smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H](C)NC/C=C\Cl)ccn1 ZINC000380359878 712897046 /nfs/dbraw/zinc/89/70/46/712897046.db2.gz XWPAIPNDVDNUQK-LVCFMKKZSA-N 0 1 226.707 2.493 20 0 BEADMN COc1cc([C@H](C)NC/C=C/Cl)ccn1 ZINC000380359881 712897079 /nfs/dbraw/zinc/89/70/79/712897079.db2.gz XWPAIPNDVDNUQK-SGRBOOSSSA-N 0 1 226.707 2.493 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1nccc(C(F)F)n1 ZINC000381457332 710639071 /nfs/dbraw/zinc/63/90/71/710639071.db2.gz IVRNFGQVTBFLKP-YUMQZZPRSA-N 0 1 227.258 2.302 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](O)CC(C)C)no1 ZINC000381530295 710651271 /nfs/dbraw/zinc/65/12/71/710651271.db2.gz YRFVXNWTVOZTDW-WDEREUQCSA-N 0 1 226.320 2.041 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)CC1(C)C ZINC000380377316 712900189 /nfs/dbraw/zinc/90/01/89/712900189.db2.gz JWZZXKDYMVGHDE-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CCC3)C2)nc1 ZINC000380374046 712900325 /nfs/dbraw/zinc/90/03/25/712900325.db2.gz YWUQBKDHLVMHJR-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722664956 710719860 /nfs/dbraw/zinc/71/98/60/710719860.db2.gz MBPWKCRROWZCIE-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000723124680 710726214 /nfs/dbraw/zinc/72/62/14/710726214.db2.gz BUPLQPYPXNKRQP-USZNOCQGSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H]1C ZINC000380558520 712901726 /nfs/dbraw/zinc/90/17/26/712901726.db2.gz RKLDZVXTFYBAHZ-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nc([C@H]2CCCN2C[C@@H](C)CO)cs1 ZINC000681463790 710966706 /nfs/dbraw/zinc/96/67/06/710966706.db2.gz LRUPNFOUURRHPJ-BXKDBHETSA-N 0 1 240.372 2.217 20 0 BEADMN CC1=CC[N@@H+](CCC(C)(C)C(=O)[O-])CC1 ZINC000382493169 710971080 /nfs/dbraw/zinc/97/10/80/710971080.db2.gz GZVVJDOGDYYNMM-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000380614889 712902052 /nfs/dbraw/zinc/90/20/52/712902052.db2.gz BSNHXKIDCXJWDN-UWVGGRQHSA-N 0 1 234.299 2.010 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000385847938 711017640 /nfs/dbraw/zinc/01/76/40/711017640.db2.gz PFGYWBIZZDUWBX-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CC[N@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385858730 711019953 /nfs/dbraw/zinc/01/99/53/711019953.db2.gz ITXGDFKCYGTKFX-UHFFFAOYSA-N 0 1 223.263 2.074 20 0 BEADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385858730 711019957 /nfs/dbraw/zinc/01/99/57/711019957.db2.gz ITXGDFKCYGTKFX-UHFFFAOYSA-N 0 1 223.263 2.074 20 0 BEADMN CCOCCN(C)C[C@@H]1CC1(Cl)Cl ZINC000388357582 711060331 /nfs/dbraw/zinc/06/03/31/711060331.db2.gz RISYVBIOVZPOSF-QMMMGPOBSA-N 0 1 226.147 2.149 20 0 BEADMN FCCNCC1=Cc2ccccc2OC1 ZINC000389901603 711097628 /nfs/dbraw/zinc/09/76/28/711097628.db2.gz DKLVTMOPVHOXQJ-UHFFFAOYSA-N 0 1 207.248 2.022 20 0 BEADMN C[C@@H](CCC(C)(C)C)NCc1cnn(C)n1 ZINC000390522909 711122333 /nfs/dbraw/zinc/12/23/33/711122333.db2.gz FWCAQPIHZHCANG-JTQLQIEISA-N 0 1 224.352 2.120 20 0 BEADMN Cc1cc([C@@H](C)NC2CC(F)(F)C2)n(C)n1 ZINC000390613045 711127787 /nfs/dbraw/zinc/12/77/87/711127787.db2.gz FRICBSXWPYQYFA-MRVPVSSYSA-N 0 1 229.274 2.177 20 0 BEADMN Cc1nnc(CNC2Cc3ccccc3C2)s1 ZINC000391912483 711140986 /nfs/dbraw/zinc/14/09/86/711140986.db2.gz BDAKJWBNHIGVNW-UHFFFAOYSA-N 0 1 245.351 2.104 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ncc(Cl)n2C)CS1 ZINC000393297111 711156439 /nfs/dbraw/zinc/15/64/39/711156439.db2.gz FJPHDGZFOULIOC-HTQZYQBOSA-N 0 1 245.779 2.057 20 0 BEADMN Cn1ncc(CN[C@@H]2CCC(F)(F)C2)c1Cl ZINC000393492168 711160450 /nfs/dbraw/zinc/16/04/50/711160450.db2.gz UAOLHYVYOOFNGW-MRVPVSSYSA-N 0 1 249.692 2.351 20 0 BEADMN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ncc[nH]1 ZINC000393661921 711168453 /nfs/dbraw/zinc/16/84/53/711168453.db2.gz YZIHTXPDCSOWKO-JGVFFNPUSA-N 0 1 215.247 2.248 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000398303471 711406986 /nfs/dbraw/zinc/40/69/86/711406986.db2.gz SQYQQWGQIUBXEZ-GRYCIOLGSA-N 0 1 234.347 2.253 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@@H]1CC2CCC1CC2 ZINC000399961519 711437189 /nfs/dbraw/zinc/43/71/89/711437189.db2.gz BLHWDQIDDVCXSV-MCIGGMRASA-N 0 1 225.332 2.219 20 0 BEADMN CSC1(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CCC1 ZINC000380860464 710591992 /nfs/dbraw/zinc/59/19/92/710591992.db2.gz LNANLKQZGHHWJL-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCCCCF ZINC000380869340 710592156 /nfs/dbraw/zinc/59/21/56/710592156.db2.gz IOIWCKVTKZTKCB-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN CC(C)OC[C@H](C)NCc1cccnc1F ZINC000381034298 710597529 /nfs/dbraw/zinc/59/75/29/710597529.db2.gz BACGAPYUUDCYCV-JTQLQIEISA-N 0 1 226.295 2.124 20 0 BEADMN CC[C@@H](C)[C@@H](CNc1ccc2c(n1)CCC2)OC ZINC000381212280 710609973 /nfs/dbraw/zinc/60/99/73/710609973.db2.gz XTIBVDRNMPBHGW-BXUZGUMPSA-N 0 1 248.370 2.465 20 0 BEADMN COCC[C@@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724412497 710740915 /nfs/dbraw/zinc/74/09/15/710740915.db2.gz GYMMBWVOQKDLGJ-SNVBAGLBSA-N 0 1 240.347 2.487 20 0 BEADMN CC[C@H]1CN(Cc2[nH]c(C)nc2C)CCCO1 ZINC000724783108 710745349 /nfs/dbraw/zinc/74/53/49/710745349.db2.gz VIYWIAUDCXZHOC-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1nc([C@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000392367465 711144994 /nfs/dbraw/zinc/14/49/94/711144994.db2.gz IEOBQPMWDBAGFU-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc([C@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000392446824 711147157 /nfs/dbraw/zinc/14/71/57/711147157.db2.gz FHGZEIMFLRJBOP-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN CCCCOC(=O)C[N@@H+](C)C(C)(C)C ZINC000394330117 711190675 /nfs/dbraw/zinc/19/06/75/711190675.db2.gz PZIZMYMPFIJZEQ-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN CCCCOC(=O)CN(C)C(C)(C)C ZINC000394330117 711190678 /nfs/dbraw/zinc/19/06/78/711190678.db2.gz PZIZMYMPFIJZEQ-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398352363 711407535 /nfs/dbraw/zinc/40/75/35/711407535.db2.gz GDJDYFURTRJVMM-HTQZYQBOSA-N 0 1 248.252 2.015 20 0 BEADMN c1nsnc1CN[C@H]1CC2CCC1CC2 ZINC000399766637 711434672 /nfs/dbraw/zinc/43/46/72/711434672.db2.gz WPHGNHQDQFOKBP-AMUVOQDHSA-N 0 1 223.345 2.206 20 0 BEADMN c1nsnc1CN[C@@H]1CC2CCC1CC2 ZINC000399766638 711434985 /nfs/dbraw/zinc/43/49/85/711434985.db2.gz WPHGNHQDQFOKBP-NWGYLPEXSA-N 0 1 223.345 2.206 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@H]1CC(=O)[O-] ZINC000722647628 711463159 /nfs/dbraw/zinc/46/31/59/711463159.db2.gz GJKILVWABUUGKV-UTUOFQBUSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@H]1CC(=O)[O-] ZINC000722647626 711463192 /nfs/dbraw/zinc/46/31/92/711463192.db2.gz GJKILVWABUUGKV-IJLUTSLNSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@H]1CC(=O)[O-] ZINC000722698634 711466622 /nfs/dbraw/zinc/46/66/22/711466622.db2.gz RZZDFUQXZAFFQV-FRRDWIJNSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000140640183 711471804 /nfs/dbraw/zinc/47/18/04/711471804.db2.gz INOSLZVSOPIORH-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214286 711490946 /nfs/dbraw/zinc/49/09/46/711490946.db2.gz ZAQMTAIBIUYLHI-MJBXVCDLSA-N 0 1 245.322 2.148 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721207440 711491058 /nfs/dbraw/zinc/49/10/58/711491058.db2.gz SWMNDTRTPZQXIM-RVMXOQNASA-N 0 1 239.359 2.321 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ncc[nH]1 ZINC000290494035 711531430 /nfs/dbraw/zinc/53/14/30/711531430.db2.gz XYFSEOMTBUGXJK-GMXVVIOVSA-N 0 1 245.326 2.182 20 0 BEADMN CC[C@H](N[C@@H](C)C(F)F)[C@@H]1CCCOC1 ZINC000724010138 711555034 /nfs/dbraw/zinc/55/50/34/711555034.db2.gz PNEQRHDGWWKACY-AEJSXWLSSA-N 0 1 221.291 2.435 20 0 BEADMN CCn1cc(CN2CCS[C@H](C)C2)c(C)n1 ZINC000891922827 711558002 /nfs/dbraw/zinc/55/80/02/711558002.db2.gz ANFPVWHLSYPRSY-SNVBAGLBSA-N 0 1 239.388 2.149 20 0 BEADMN CC[C@H](C)[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000383306198 711560530 /nfs/dbraw/zinc/56/05/30/711560530.db2.gz MRXFOEUXNOAINS-PPCPHDFISA-N 0 1 239.359 2.352 20 0 BEADMN CC(C)CSCCCN1CC[C@H](O)[C@@H](F)C1 ZINC000934565593 711594259 /nfs/dbraw/zinc/59/42/59/711594259.db2.gz IAMTWMLWGUKZGK-RYUDHWBXSA-N 0 1 249.395 2.170 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2cncs2)[nH]1 ZINC000724678853 711607843 /nfs/dbraw/zinc/60/78/43/711607843.db2.gz JFOJUKOFNRZTTH-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721540419 711619942 /nfs/dbraw/zinc/61/99/42/711619942.db2.gz JJBUACLFKYXPBZ-JTQLQIEISA-N 0 1 236.315 2.400 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1cncc(C(=O)[O-])c1 ZINC000721538867 711620242 /nfs/dbraw/zinc/62/02/42/711620242.db2.gz FQMZPZHWLRJSJD-JTQLQIEISA-N 0 1 236.315 2.400 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C[C@@H]1C ZINC000721544797 711621422 /nfs/dbraw/zinc/62/14/22/711621422.db2.gz DOWPZYJXBUSIAN-MNOVXSKESA-N 0 1 248.326 2.258 20 0 BEADMN CCCCN(CCCC)Cc1nccc(N)n1 ZINC000134956281 711644721 /nfs/dbraw/zinc/64/47/21/711644721.db2.gz JBCBUHLZKQSCQQ-UHFFFAOYSA-N 0 1 236.363 2.461 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000136276835 711647344 /nfs/dbraw/zinc/64/73/44/711647344.db2.gz ZGZYGPAIRCMMOF-RKDXNWHRSA-N 0 1 238.287 2.136 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1cccc(C(=O)[O-])n1)C1(C)CC1 ZINC000385167149 711673827 /nfs/dbraw/zinc/67/38/27/711673827.db2.gz BCCFRGOHIODBHR-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCC1CC1 ZINC000394480720 711688207 /nfs/dbraw/zinc/68/82/07/711688207.db2.gz KZWGWQSWMPWMRZ-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN Cc1csc(CCN[C@H](C)c2ncc[nH]2)n1 ZINC000309499674 711698987 /nfs/dbraw/zinc/69/89/87/711698987.db2.gz URBXBLVVNCDOOX-SECBINFHSA-N 0 1 236.344 2.068 20 0 BEADMN c1csc(CNC[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722313816 711734330 /nfs/dbraw/zinc/73/43/30/711734330.db2.gz SOURXHLTTNHUIV-QWRGUYRKSA-N 0 1 238.356 2.190 20 0 BEADMN c1nc(CNC[C@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722312926 711734414 /nfs/dbraw/zinc/73/44/14/711734414.db2.gz MQGYHFRQEKVFEZ-VXGBXAGGSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nc(Cl)cc(NN=Cc2cccnc2)n1 ZINC000254866062 711735958 /nfs/dbraw/zinc/73/59/58/711735958.db2.gz XUTPEPHYDABPRP-UHFFFAOYSA-N 0 1 247.689 2.279 20 0 BEADMN COC[C@H](CN[C@H](C)c1csnn1)C(C)C ZINC000721779909 711769544 /nfs/dbraw/zinc/76/95/44/711769544.db2.gz ILNDEIOISDLBLN-ZJUUUORDSA-N 0 1 243.376 2.107 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000160592536 711808979 /nfs/dbraw/zinc/80/89/79/711808979.db2.gz FKJFYYYBKYWYEE-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000913354053 711821637 /nfs/dbraw/zinc/82/16/37/711821637.db2.gz YVKQFQOYLRIMEJ-ZZKXABKFSA-N 0 1 247.342 2.157 20 0 BEADMN CCN1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000056968395 711826119 /nfs/dbraw/zinc/82/61/19/711826119.db2.gz XWEGIROGTHRNKB-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CCN(C/C=C/Cl)C[C@H]1CCCO1 ZINC000051555486 711826287 /nfs/dbraw/zinc/82/62/87/711826287.db2.gz YILIJIVEJFHSQI-DFVUYQKZSA-N 0 1 203.713 2.240 20 0 BEADMN CCN(C/C=C/Cl)C[C@@H]1CCCO1 ZINC000051555485 711826444 /nfs/dbraw/zinc/82/64/44/711826444.db2.gz YILIJIVEJFHSQI-RWCYGVJQSA-N 0 1 203.713 2.240 20 0 BEADMN C[C@@H](N[C@H]1CCc2cccnc21)c1cn[nH]c1 ZINC000229632972 711838687 /nfs/dbraw/zinc/83/86/87/711838687.db2.gz MFERRVYFGXPYTG-SKDRFNHKSA-N 0 1 228.299 2.143 20 0 BEADMN C[C@H](N[C@@H]1CCc2cccnc21)c1cn[nH]c1 ZINC000229632962 711838778 /nfs/dbraw/zinc/83/87/78/711838778.db2.gz MFERRVYFGXPYTG-JOYOIKCWSA-N 0 1 228.299 2.143 20 0 BEADMN C[C@H]1C[C@@H](Nc2nccs2)C[N@H+]1C1CC1 ZINC000229935285 711839899 /nfs/dbraw/zinc/83/98/99/711839899.db2.gz WGNFDWKTMQSXMS-DTWKUNHWSA-N 0 1 223.345 2.180 20 0 BEADMN O=C([O-])c1coc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000382970741 711871438 /nfs/dbraw/zinc/87/14/38/711871438.db2.gz QSCZOGNVIFQZQE-PHIMTYICSA-N 0 1 247.294 2.376 20 0 BEADMN CC(C)C1(O)CN([C@H](C)c2ccccc2)C1 ZINC000084376792 711924638 /nfs/dbraw/zinc/92/46/38/711924638.db2.gz XZYYLMSBMZOPKL-GFCCVEGCSA-N 0 1 219.328 2.450 20 0 BEADMN Cc1[nH+]c(N[C@H]2CC23CCC3)ccc1C(=O)[O-] ZINC000721292450 711959291 /nfs/dbraw/zinc/95/92/91/711959291.db2.gz XVGYCFCXYYRAFD-JTQLQIEISA-N 0 1 232.283 2.443 20 0 BEADMN CCC(F)(F)CNC1CCC2(CC1)OCCO2 ZINC000700000433 711983029 /nfs/dbraw/zinc/98/30/29/711983029.db2.gz ZHDPOYZULGJYQP-UHFFFAOYSA-N 0 1 249.301 2.307 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1ccc(O)c(Cl)c1 ZINC000700623325 712002454 /nfs/dbraw/zinc/00/24/54/712002454.db2.gz WOVDOXOLKGZKKC-SECBINFHSA-N 0 1 237.686 2.494 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CC2(CCC2)C1 ZINC000700744451 712004912 /nfs/dbraw/zinc/00/49/12/712004912.db2.gz YEDXIDURMAFYJH-SNVBAGLBSA-N 0 1 225.332 2.060 20 0 BEADMN CC1(C)CC(c2nc([C@@H]3CCCN3)no2)C1 ZINC000701463317 712023786 /nfs/dbraw/zinc/02/37/86/712023786.db2.gz ULAYNHKWNFEIQP-VIFPVBQESA-N 0 1 221.304 2.398 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000701505768 712024811 /nfs/dbraw/zinc/02/48/11/712024811.db2.gz KDYGSGFWOCJQCD-JSGCOSHPSA-N 0 1 237.343 2.363 20 0 BEADMN CCc1nnc(CNCCc2ccoc2)s1 ZINC000702675085 712059141 /nfs/dbraw/zinc/05/91/41/712059141.db2.gz BJVFWBKRKKUXBF-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN CCc1nnc(CNCC2(C3CC3)CC2)s1 ZINC000702684446 712059118 /nfs/dbraw/zinc/05/91/18/712059118.db2.gz LCJVIKWYCOAHJE-UHFFFAOYSA-N 0 1 237.372 2.380 20 0 BEADMN CC[C@H](N[C@H]1CNOC1)c1ccc(Cl)cc1 ZINC000703333953 712070848 /nfs/dbraw/zinc/07/08/48/712070848.db2.gz KCZAVRXPJHYRGK-RYUDHWBXSA-N 0 1 240.734 2.284 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cncc(Cl)c1 ZINC000703638726 712081952 /nfs/dbraw/zinc/08/19/52/712081952.db2.gz OOPALEMGYUCCFA-LLVKDONJSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000703664510 712082712 /nfs/dbraw/zinc/08/27/12/712082712.db2.gz WHVHUJYHQKYMJR-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN CCCCOC(=O)CN1CCCC[C@@H](C)C1 ZINC000703661523 712083082 /nfs/dbraw/zinc/08/30/82/712083082.db2.gz LQIQULOMJRKTAM-GFCCVEGCSA-N 0 1 227.348 2.452 20 0 BEADMN COc1cncc(CNCc2ccc(C)nc2)c1 ZINC000704206778 712101269 /nfs/dbraw/zinc/10/12/69/712101269.db2.gz KUELJHOIFPEMRX-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN COc1cncc(CNCc2cccnc2C)c1 ZINC000704158771 712101323 /nfs/dbraw/zinc/10/13/23/712101323.db2.gz JFKSSPHJJDTXSR-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000704738514 712114995 /nfs/dbraw/zinc/11/49/95/712114995.db2.gz KLWZLOKZDPBHTN-JTQLQIEISA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000704738514 712114997 /nfs/dbraw/zinc/11/49/97/712114997.db2.gz KLWZLOKZDPBHTN-JTQLQIEISA-N 0 1 235.274 2.218 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@@H](C)C(C)C ZINC000706666451 712151101 /nfs/dbraw/zinc/15/11/01/712151101.db2.gz DMVJQXXFRGAUFM-VIFPVBQESA-N 0 1 240.303 2.239 20 0 BEADMN CC1(C)CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000706917273 712158249 /nfs/dbraw/zinc/15/82/49/712158249.db2.gz LHDYUYPNJVFXGB-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2CC[C@@H]3C[C@@H]32)o1 ZINC000707019373 712164141 /nfs/dbraw/zinc/16/41/41/712164141.db2.gz PKCKKHUQCMFMAZ-AEJSXWLSSA-N 0 1 235.283 2.221 20 0 BEADMN CC(C)[C@H]1CN(C[C@H](O)c2ccccc2)CCO1 ZINC000708880262 712202444 /nfs/dbraw/zinc/20/24/44/712202444.db2.gz GOFVDOJBOKIQGW-LSDHHAIUSA-N 0 1 249.354 2.077 20 0 BEADMN COC1(OC)CC[C@@H]1NCc1cscc1C ZINC000710969469 712270453 /nfs/dbraw/zinc/27/04/53/712270453.db2.gz YFDNNLJSBLXYPN-NSHDSACASA-N 0 1 241.356 2.298 20 0 BEADMN CCc1cnc(CN[C@@H]2COC[C@@H]2CC)s1 ZINC000710986491 712271672 /nfs/dbraw/zinc/27/16/72/712271672.db2.gz UXEKEHDAHGJQAQ-GXSJLCMTSA-N 0 1 240.372 2.220 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ncn(C)n1 ZINC000711037483 712275466 /nfs/dbraw/zinc/27/54/66/712275466.db2.gz ZCWVHQACISNVGP-YFKTTZPYSA-N 0 1 234.347 2.044 20 0 BEADMN COC1(OC)CC[C@H]1NCc1ccc(F)cc1 ZINC000711039573 712275634 /nfs/dbraw/zinc/27/56/34/712275634.db2.gz DEQKNQDUWUKIQC-GFCCVEGCSA-N 0 1 239.290 2.067 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@H](CF)C1)C(=O)[O-] ZINC000711472553 712303374 /nfs/dbraw/zinc/30/33/74/712303374.db2.gz XCBPDECTWYAMDM-SNVBAGLBSA-N 0 1 231.311 2.169 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000711493100 712306457 /nfs/dbraw/zinc/30/64/57/712306457.db2.gz WDMHSVMPNPWLBM-NSHDSACASA-N 0 1 237.274 2.176 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1nccn1C ZINC000711488676 712306513 /nfs/dbraw/zinc/30/65/13/712306513.db2.gz QFGBQRICUZVOOT-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN Cc1nc2c(n1CCOC1CC1)CCCC2 ZINC000711742841 712322036 /nfs/dbraw/zinc/32/20/36/712322036.db2.gz PCXGNJSBRHRNMY-UHFFFAOYSA-N 0 1 220.316 2.249 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nccn2C2CC2)C1(C)C ZINC000711751174 712324037 /nfs/dbraw/zinc/32/40/37/712324037.db2.gz HUOMUNUIMHKCQK-NWDGAFQWSA-N 0 1 249.358 2.121 20 0 BEADMN CC1(C)C[C@]1(C)NCc1nccn1C1CC1 ZINC000711772263 712328779 /nfs/dbraw/zinc/32/87/79/712328779.db2.gz MYYKUAJUEUKLOG-ZDUSSCGKSA-N 0 1 219.332 2.496 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1nccn1C1CC1 ZINC000711773179 712328847 /nfs/dbraw/zinc/32/88/47/712328847.db2.gz ITFLBNUMHDMXKF-KZWBYHQPSA-N 0 1 249.358 2.120 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nccn1C1CC1 ZINC000711773174 712328879 /nfs/dbraw/zinc/32/88/79/712328879.db2.gz ITFLBNUMHDMXKF-DEKYYXRVSA-N 0 1 249.358 2.120 20 0 BEADMN C[C@H]1C[C@@H](NCc2nccn2C2CC2)CS1 ZINC000711816063 712329487 /nfs/dbraw/zinc/32/94/87/712329487.db2.gz GOWMNSPWDREYND-VHSXEESVSA-N 0 1 237.372 2.202 20 0 BEADMN c1cn(C2CC2)c(CNC[C@H]2CCC=CO2)n1 ZINC000711782842 712329637 /nfs/dbraw/zinc/32/96/37/712329637.db2.gz HQILJGJCUUUOHI-GFCCVEGCSA-N 0 1 233.315 2.000 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1nccn1C1CC1 ZINC000711817090 712332434 /nfs/dbraw/zinc/33/24/34/712332434.db2.gz KPOMBKCPBZDUTL-GXSJLCMTSA-N 0 1 237.372 2.059 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)NCC(C)(F)F ZINC000378873544 712365718 /nfs/dbraw/zinc/36/57/18/712365718.db2.gz UOOFCPMJDJYGET-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN CCC1(NCc2nc(Br)c[nH]2)CC1 ZINC000379723459 712393105 /nfs/dbraw/zinc/39/31/05/712393105.db2.gz NTGMAEGPXOASAA-UHFFFAOYSA-N 0 1 244.136 2.204 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CC[C@](C)(CC)C2)C1 ZINC000758397985 712408576 /nfs/dbraw/zinc/40/85/76/712408576.db2.gz RXZAEBCLGKJGBK-JSGCOSHPSA-N 0 1 238.375 2.324 20 0 BEADMN Cn1nccc1CNc1ccc2c(n1)CCCC2 ZINC000712372282 712428359 /nfs/dbraw/zinc/42/83/59/712428359.db2.gz RVPBUUIJZKMBTI-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN CN1CC[C@H]1CNc1cc(C(C)(C)C)ccn1 ZINC000712592543 712435363 /nfs/dbraw/zinc/43/53/63/712435363.db2.gz TYWOXYDDZYAUOC-LBPRGKRZSA-N 0 1 233.359 2.495 20 0 BEADMN CN1CC[C@@H]1CNc1ccnc(C(F)(F)F)c1 ZINC000712612800 712437862 /nfs/dbraw/zinc/43/78/62/712437862.db2.gz CVIYZMMPARVBMK-SECBINFHSA-N 0 1 245.248 2.216 20 0 BEADMN C[C@H]1CCC(C)(C)C[C@H]1NCc1ncn(C)n1 ZINC000713026465 712451600 /nfs/dbraw/zinc/45/16/00/712451600.db2.gz LLEQHYPHNXNCFX-WDEREUQCSA-N 0 1 236.363 2.120 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000713710826 712470116 /nfs/dbraw/zinc/47/01/16/712470116.db2.gz JVSOLQUGJUOSRQ-RUULKOMLSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C/CCNCc1nnc(CC)s1 ZINC000713761863 712471841 /nfs/dbraw/zinc/47/18/41/712471841.db2.gz KBDXXKUPALXHPQ-AATRIKPKSA-N 0 1 223.345 2.322 20 0 BEADMN CCCn1cc(CNC2(CC(C)C)CC2)nn1 ZINC000714426210 712486187 /nfs/dbraw/zinc/48/61/87/712486187.db2.gz GYGUKVNZBDJFML-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN COC[C@H]1C[C@@H](NCc2ncc(Cl)s2)C1 ZINC000714443132 712489116 /nfs/dbraw/zinc/48/91/16/712489116.db2.gz MPTHSFZBCRDHSS-OCAPTIKFSA-N 0 1 246.763 2.311 20 0 BEADMN CCCn1cc(CNCCC2=CCCC2)nn1 ZINC000714507142 712492653 /nfs/dbraw/zinc/49/26/53/712492653.db2.gz JBTSWYWINOGZRU-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN CO[C@H]1C[C@H](CNc2cc(C)ccn2)C1 ZINC000714672991 712495428 /nfs/dbraw/zinc/49/54/28/712495428.db2.gz FSVYGKSVLUNDNH-XYPYZODXSA-N 0 1 206.289 2.227 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715438980 712518755 /nfs/dbraw/zinc/51/87/55/712518755.db2.gz GKBNYHHNJQYVJI-AGIUHOORSA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(=O)[O-] ZINC000715442164 712519343 /nfs/dbraw/zinc/51/93/43/712519343.db2.gz XIBYWXYCBPMCER-OLZOCXBDSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1ncc(CNC[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715391800 712522821 /nfs/dbraw/zinc/52/28/21/712522821.db2.gz WSXXJLFGBPHUBM-YPMHNXCESA-N 0 1 236.315 2.030 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccs1 ZINC000036984169 712525524 /nfs/dbraw/zinc/52/55/24/712525524.db2.gz ZCDFLKMBSWOCSM-NXEZZACHSA-N 0 1 240.372 2.141 20 0 BEADMN c1nc(CNCC[C@H]2CCCS2)co1 ZINC000715627881 712528231 /nfs/dbraw/zinc/52/82/31/712528231.db2.gz YPQLNQDORIYVJC-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN CCCn1cc([C@@H](C)N[C@H]2CC2(C)C)nn1 ZINC000715853790 712536524 /nfs/dbraw/zinc/53/65/24/712536524.db2.gz UEXYFOURZIAXQO-KOLCDFICSA-N 0 1 222.336 2.137 20 0 BEADMN CCCn1cc([C@H](C)NCC[C@H](C)F)nn1 ZINC000715881287 712538987 /nfs/dbraw/zinc/53/89/87/712538987.db2.gz JDGYJICWXQCLCR-UWVGGRQHSA-N 0 1 228.315 2.087 20 0 BEADMN C[C@H](NCc1ccc(CO)cc1)c1ccns1 ZINC000715917696 712542190 /nfs/dbraw/zinc/54/21/90/712542190.db2.gz CDBKBKVPLMYXJG-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN C[C@@H](NCc1cc[nH]c1)c1ccns1 ZINC000715925198 712543213 /nfs/dbraw/zinc/54/32/13/712543213.db2.gz CULYVYSTPXJBNT-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1[nH]nc(CNCc2ccoc2C)c1C ZINC000716474789 712553336 /nfs/dbraw/zinc/55/33/36/712553336.db2.gz DHJGAJWHCWDEJK-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN c1snnc1CNCCCCC1CC1 ZINC000716399116 712558583 /nfs/dbraw/zinc/55/85/83/712558583.db2.gz DDORHNZGFASSTG-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN Clc1ccccc1CNCC1OCCCO1 ZINC000716407712 712558884 /nfs/dbraw/zinc/55/88/84/712558884.db2.gz VQWPDJDSISLSQX-UHFFFAOYSA-N 0 1 241.718 2.193 20 0 BEADMN COc1ccc(CNCc2[nH]nc(C)c2C)cc1 ZINC000716441446 712561051 /nfs/dbraw/zinc/56/10/51/712561051.db2.gz QCMFJRQLPKYUFA-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC000716453130 712561987 /nfs/dbraw/zinc/56/19/87/712561987.db2.gz UAOAMKKWXNPCDA-LXUNUROVSA-N 0 1 235.331 2.485 20 0 BEADMN Cc1nc(CNCc2n[nH]c(C)c2C)cs1 ZINC000716452317 712562104 /nfs/dbraw/zinc/56/21/04/712562104.db2.gz SPMGDIFKQIKURH-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1n[nH]c(CNCc2ccc(F)cc2)c1C ZINC000716460187 712562257 /nfs/dbraw/zinc/56/22/57/712562257.db2.gz RSFYAVWDSDQTPS-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNCc1cocn1 ZINC000716634596 712568027 /nfs/dbraw/zinc/56/80/27/712568027.db2.gz GZAPTKARERXFCE-QCZKYFFMSA-N 0 1 206.289 2.056 20 0 BEADMN CCON(C(=O)c1cccc(F)c1O)C(C)C ZINC000823602768 712591551 /nfs/dbraw/zinc/59/15/51/712591551.db2.gz GUMNXNIJDWJTNH-UHFFFAOYSA-N 0 1 241.262 2.333 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)CC1CC(F)(F)C1 ZINC000717143297 712636628 /nfs/dbraw/zinc/63/66/28/712636628.db2.gz LJVNWGULEBLBIJ-UHFFFAOYSA-N 0 1 247.285 2.218 20 0 BEADMN OC[C@H](NCc1scnc1Cl)C1CCC1 ZINC000717579496 712661453 /nfs/dbraw/zinc/66/14/53/712661453.db2.gz RXBXBWMHSIEOKS-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])o1 ZINC000080992163 712728726 /nfs/dbraw/zinc/72/87/26/712728726.db2.gz XNEQOXJKMXQRLH-LBPRGKRZSA-N 0 1 237.299 2.417 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@]23C[C@H]2COC3)o1 ZINC000717976992 712734328 /nfs/dbraw/zinc/73/43/28/712734328.db2.gz GXYGWMRMWVFKGJ-IHOMSZDFSA-N 0 1 233.311 2.282 20 0 BEADMN Cc1coc(CNCc2ccc(CO)cc2)c1 ZINC000718122345 712745578 /nfs/dbraw/zinc/74/55/78/712745578.db2.gz QOZUGEBKMXJIBW-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN CC(F)(F)CCC[N@H+](CC(=O)[O-])CC1CC1 ZINC000718619090 712773514 /nfs/dbraw/zinc/77/35/14/712773514.db2.gz YHYDJNNSHDVXSB-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CCOC(=O)CN(CC)CCCC(C)(F)F ZINC000718573532 712775385 /nfs/dbraw/zinc/77/53/85/712775385.db2.gz JBVCTHUQXFDEGV-UHFFFAOYSA-N 0 1 237.290 2.307 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccco1)c1ccccn1 ZINC000037862901 712776244 /nfs/dbraw/zinc/77/62/44/712776244.db2.gz PKKIBGAFLINSPK-ZYHUDNBSSA-N 0 1 232.283 2.059 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCC=CCCC1 ZINC000719029743 712794343 /nfs/dbraw/zinc/79/43/43/712794343.db2.gz KEQOVLCJGFJAGW-GFCCVEGCSA-N 0 1 247.342 2.471 20 0 BEADMN Cc1cc(CNCC2(O)CCC(C)CC2)no1 ZINC000720358791 712833889 /nfs/dbraw/zinc/83/38/89/712833889.db2.gz VODUZBULUWKHPQ-UHFFFAOYSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1conc1CNC1(C2CCC2)CC1 ZINC000720369771 712836288 /nfs/dbraw/zinc/83/62/88/712836288.db2.gz NWZQGVRASKZTPL-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN CS[C@H]1CC[C@@H](NCc2ccon2)C1 ZINC000720383555 712837697 /nfs/dbraw/zinc/83/76/97/712837697.db2.gz OBKGBRVKXMQVTG-SCZZXKLOSA-N 0 1 212.318 2.048 20 0 BEADMN Cc1cc(CN[C@@H]2CCC(F)(F)C2)no1 ZINC000720420963 712841553 /nfs/dbraw/zinc/84/15/53/712841553.db2.gz PKEFVMRFKZYZCG-MRVPVSSYSA-N 0 1 216.231 2.260 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(O)c(F)c2)CCO1 ZINC000720485944 712847188 /nfs/dbraw/zinc/84/71/88/712847188.db2.gz XZUMWAHRPZAEHZ-SNVBAGLBSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1ncc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC000720797446 712866524 /nfs/dbraw/zinc/86/65/24/712866524.db2.gz CGMQSMNHIXDSHL-GMXVVIOVSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ncc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC000720797452 712866630 /nfs/dbraw/zinc/86/66/30/712866630.db2.gz CGMQSMNHIXDSHL-NTZNESFSSA-N 0 1 236.315 2.030 20 0 BEADMN COc1cccc(CNC2(C)CC(F)(F)C2)n1 ZINC000720970705 712884791 /nfs/dbraw/zinc/88/47/91/712884791.db2.gz IEHNMDCDQSZESG-UHFFFAOYSA-N 0 1 242.269 2.368 20 0 BEADMN CCO[C@H]1CCC[C@H](NCc2cocn2)C1 ZINC000721191071 712896690 /nfs/dbraw/zinc/89/66/90/712896690.db2.gz AGHPECQGQKGOQT-JQWIXIFHSA-N 0 1 224.304 2.112 20 0 BEADMN CCO[C@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000721191073 712896722 /nfs/dbraw/zinc/89/67/22/712896722.db2.gz AGHPECQGQKGOQT-PWSUYJOCSA-N 0 1 224.304 2.112 20 0 BEADMN Cc1ccc(F)c(N=C2CCN(C)CC2)n1 ZINC001208802173 957175223 /nfs/dbraw/zinc/17/52/23/957175223.db2.gz HWVQYBLQXRYMGN-UHFFFAOYSA-N 0 1 221.279 2.160 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@@H](O)CC2)cs1 ZINC001206799154 957178510 /nfs/dbraw/zinc/17/85/10/957178510.db2.gz OXRRQTNIVITMBT-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1c(F)ccnc1N1C[C@@H](C)N(C)C[C@H]1C ZINC001164639683 719211589 /nfs/dbraw/zinc/21/15/89/719211589.db2.gz QWOXQSTVNOVKPS-NXEZZACHSA-N 0 1 237.322 2.058 20 0 BEADMN CC[C@@H]1CC[C@H]([N@@H+](C)Cc2cnccn2)C1 ZINC000092932442 957484053 /nfs/dbraw/zinc/48/40/53/957484053.db2.gz YRCIYVQYKRRWGP-YPMHNXCESA-N 0 1 219.332 2.487 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCC(F)(F)F ZINC000080992278 957774479 /nfs/dbraw/zinc/77/44/79/957774479.db2.gz LRYOCUMFHVNDMN-MRVPVSSYSA-N 0 1 239.237 2.268 20 0 BEADMN CCCC[N@@H+](C/C(C)=C/C(=O)[O-])C1CC1 ZINC000082604610 957797007 /nfs/dbraw/zinc/79/70/07/957797007.db2.gz WJDMPMKZPOFLNB-CSKARUKUSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@H](C)CC1 ZINC000082604871 957797749 /nfs/dbraw/zinc/79/77/49/957797749.db2.gz LQTYLGRJFUQDPC-NGPGYTDTSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H](CC(=O)[O-])SCC[C@@H]1CCCC[N@H+]1C ZINC000085157618 957877948 /nfs/dbraw/zinc/87/79/48/957877948.db2.gz CCQULGQYGCRMMF-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccsc1 ZINC000086258570 957963990 /nfs/dbraw/zinc/96/39/90/957963990.db2.gz UQFQWVMADCIKJA-WCBMZHEXSA-N 0 1 225.313 2.043 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](CCC(=O)[O-])C(C)C ZINC000723072119 958168954 /nfs/dbraw/zinc/16/89/54/958168954.db2.gz RTYSZIIMCTYFGH-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CCCC(=O)NC[C@H]1CCCN1C[C@H](F)CC ZINC001267259957 959314010 /nfs/dbraw/zinc/31/40/10/959314010.db2.gz UBSUCVVVVMALCG-VXGBXAGGSA-N 0 1 244.354 2.115 20 0 BEADMN CCC[C@@H](N)c1cc([C@@H]2CCCO2)no1 ZINC000694880011 960020174 /nfs/dbraw/zinc/02/01/74/960020174.db2.gz KPHDXTFYAXGMCT-SCZZXKLOSA-N 0 1 210.277 2.326 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCC3)n[nH]1 ZINC001203069745 960609789 /nfs/dbraw/zinc/60/97/89/960609789.db2.gz CBWSETCBUQYREQ-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN Cc1cc(CN2CCC[C@H]2C(F)(F)F)n[nH]1 ZINC001203069703 960612670 /nfs/dbraw/zinc/61/26/70/960612670.db2.gz AYNMLVROHSRONY-VIFPVBQESA-N 0 1 233.237 2.245 20 0 BEADMN C[N@@H+](CCc1cccs1)C(C)(C)CC(=O)[O-] ZINC000260179783 961379474 /nfs/dbraw/zinc/37/94/74/961379474.db2.gz SJKVCKREIHBACS-UHFFFAOYSA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1ccnc(N)n1 ZINC000087836946 961759533 /nfs/dbraw/zinc/75/95/33/961759533.db2.gz PMIBHKYHKCJEMI-BDAKNGLRSA-N 0 1 208.309 2.295 20 0 BEADMN CCCCCC(=O)N1CCCC2(CN(C)C2)C1 ZINC001268979302 962406680 /nfs/dbraw/zinc/40/66/80/962406680.db2.gz AAMUQBGCYDWMMB-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCC(CC)([NH2+]CC(F)(F)C(F)F)C(=O)[O-] ZINC000309138219 963328860 /nfs/dbraw/zinc/32/88/60/963328860.db2.gz SHEUHQIFIGKBAC-UHFFFAOYSA-N 0 1 245.216 2.120 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC(=O)[O-] ZINC000309684681 963364549 /nfs/dbraw/zinc/36/45/49/963364549.db2.gz NWPNZCHOMBORRB-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN COc1cccc(CN2CCC[C@@H]3C[C@@H]32)n1 ZINC001137535585 963617954 /nfs/dbraw/zinc/61/79/54/963617954.db2.gz XNENYXCNVPUTAM-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1ccnc(NC[C@@H]2CC(C)(C)O2)c1 ZINC001157654633 963691608 /nfs/dbraw/zinc/69/16/08/963691608.db2.gz LIKOZOKYEWLPGG-JTQLQIEISA-N 0 1 206.289 2.369 20 0 BEADMN CCCNc1nc2[nH]cnc2c(C(F)(F)F)n1 ZINC001168130429 963811079 /nfs/dbraw/zinc/81/10/79/963811079.db2.gz DUUDMJXMWNLZSJ-UHFFFAOYSA-N 0 1 245.208 2.145 20 0 BEADMN Clc1cc(N=C2CCOC2)c(Cl)nn1 ZINC001203380800 963897265 /nfs/dbraw/zinc/89/72/65/963897265.db2.gz UBQFIYRLJYIXKI-UHFFFAOYSA-N 0 1 232.070 2.109 20 0 BEADMN CCc1ccc(CN(C)CC(OC)OC)s1 ZINC000714688818 964439987 /nfs/dbraw/zinc/43/99/87/964439987.db2.gz POVYFOBCLUUTHC-UHFFFAOYSA-N 0 1 243.372 2.361 20 0 BEADMN Cc1nc2ccc(NCC(F)(F)F)nc2[nH]1 ZINC001161630753 964653665 /nfs/dbraw/zinc/65/36/65/964653665.db2.gz NPITVRUCOXFWLM-UHFFFAOYSA-N 0 1 230.193 2.241 20 0 BEADMN CCC1(CCNc2cc(C)ccn2)OCCO1 ZINC001163353813 965354628 /nfs/dbraw/zinc/35/46/28/965354628.db2.gz OVBBLFDJJLPMLN-UHFFFAOYSA-N 0 1 236.315 2.345 20 0 BEADMN CCc1nc(CN[C@H]2COC[C@H]2CC)cs1 ZINC000699555727 965971254 /nfs/dbraw/zinc/97/12/54/965971254.db2.gz CSEPTHADWGPLAC-KOLCDFICSA-N 0 1 240.372 2.220 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1cccc(O)c1Cl ZINC000699761833 966065670 /nfs/dbraw/zinc/06/56/70/966065670.db2.gz RUZVJTVILBRZGQ-PSASIEDQSA-N 0 1 241.718 2.170 20 0 BEADMN CCn1ccc(CN[C@@]2(C)CC2(C)C)n1 ZINC001203208377 966551942 /nfs/dbraw/zinc/55/19/42/966551942.db2.gz RJFROWCWMXSVHF-LBPRGKRZSA-N 0 1 207.321 2.181 20 0 BEADMN C[C@H](CCO)CNCc1csc(C2CC2)n1 ZINC000164931399 1165768946 /nfs/dbraw/zinc/76/89/46/1165768946.db2.gz SNKKXKKEZMSPFT-SECBINFHSA-N 0 1 240.372 2.129 20 0 BEADMN C#CCN(C)Cc1ccc(OCC=C)cc1 ZINC000072802551 1165772502 /nfs/dbraw/zinc/77/25/02/1165772502.db2.gz TZXCOFIMIQVKJY-UHFFFAOYSA-N 0 1 215.296 2.316 20 0 BEADMN Fc1ccc(F)c(CCNCc2cc[nH]n2)c1 ZINC000080245897 1165795565 /nfs/dbraw/zinc/79/55/65/1165795565.db2.gz WBYILGCFVOIKPF-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN CCOc1cc(C[N@H+]2CC[C@@H](C)C2)ccn1 ZINC001250001913 967258877 /nfs/dbraw/zinc/25/88/77/967258877.db2.gz GIIFTRPIMZDDLM-LLVKDONJSA-N 0 1 220.316 2.322 20 0 BEADMN CCOc1cc(C[N@H+]2CC[C@H](C)C2)ccn1 ZINC001250001917 967260339 /nfs/dbraw/zinc/26/03/39/967260339.db2.gz GIIFTRPIMZDDLM-NSHDSACASA-N 0 1 220.316 2.322 20 0 BEADMN Cc1ncsc1CN1CCC[C@@]2(CCO2)C1 ZINC001206988219 1165863970 /nfs/dbraw/zinc/86/39/70/1165863970.db2.gz ZYVMSYIOXHKKSA-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN CN1CC=C(c2ccc(N)cc2F)CC1 ZINC000146779328 1165874180 /nfs/dbraw/zinc/87/41/80/1165874180.db2.gz TWFNBOIPOWVZGM-UHFFFAOYSA-N 0 1 206.264 2.127 20 0 BEADMN Cc1c2[nH]c(C(=O)N(C)C)nc2ccc1Cl ZINC001250436756 967857904 /nfs/dbraw/zinc/85/79/04/967857904.db2.gz SYMUQJBZYGZVAQ-UHFFFAOYSA-N 0 1 237.690 2.227 20 0 BEADMN Fc1cccnc1CN1CCCC12CC2 ZINC001207025951 1165909406 /nfs/dbraw/zinc/90/94/06/1165909406.db2.gz BERHERFILIURCA-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])CC(C)(C)C ZINC000308711493 967932048 /nfs/dbraw/zinc/93/20/48/967932048.db2.gz YYNABFKARCKTSV-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN COC(OC)c1nc2ccc(C)c(C)c2[nH]1 ZINC001250540723 968047895 /nfs/dbraw/zinc/04/78/95/968047895.db2.gz RQWFIKULXBDHIZ-UHFFFAOYSA-N 0 1 220.272 2.471 20 0 BEADMN COc1cccnc1CN1CCCC[C@@H]1C ZINC001206610753 968417895 /nfs/dbraw/zinc/41/78/95/968417895.db2.gz LWIVGIBEWAUQCO-NSHDSACASA-N 0 1 220.316 2.465 20 0 BEADMN C[C@H](O)CN[C@@H](c1ncccc1Cl)C1CC1 ZINC001251975562 968418207 /nfs/dbraw/zinc/41/82/07/968418207.db2.gz WQYSBZMIVZELIP-GZMMTYOYSA-N 0 1 240.734 2.157 20 0 BEADMN CC[C@@H](C)N(C)Cc1ncccc1OC ZINC001206618658 968424148 /nfs/dbraw/zinc/42/41/48/968424148.db2.gz CGVNPEJJNQOOQZ-SNVBAGLBSA-N 0 1 208.305 2.321 20 0 BEADMN Cc1nc(CN2CC[C@H]3OCC[C@@H]3C2)cs1 ZINC001206802768 968486146 /nfs/dbraw/zinc/48/61/46/968486146.db2.gz QGBSEKGVYXZXQQ-ZYHUDNBSSA-N 0 1 238.356 2.062 20 0 BEADMN CCCC[C@@H](O)CNCc1csc(C)n1 ZINC001252077141 968494713 /nfs/dbraw/zinc/49/47/13/968494713.db2.gz DQZWGTLTLBQNNG-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN CC(C)c1nc(CN[C@@H]2CCC[C@H]2O)cs1 ZINC000164234679 968513256 /nfs/dbraw/zinc/51/32/56/968513256.db2.gz QURYMXJZFQHXDF-GHMZBOCLSA-N 0 1 240.372 2.270 20 0 BEADMN Fc1cncc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001207018193 968552565 /nfs/dbraw/zinc/55/25/65/968552565.db2.gz KVGNMBWUUKVWOJ-ZMLRMANQSA-N 0 1 224.254 2.011 20 0 BEADMN Cc1ncc(CN2CCCC3(COC3)C2)s1 ZINC001207058587 968590141 /nfs/dbraw/zinc/59/01/41/968590141.db2.gz HKIZLOZURSLZCK-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@H]2C[C@H]21 ZINC001207175762 968682795 /nfs/dbraw/zinc/68/27/95/968682795.db2.gz MOMZHCUYKUHLBB-WCQYABFASA-N 0 1 219.332 2.448 20 0 BEADMN C(CN1CCC12COC2)C1CCCCC1 ZINC001207262641 968704050 /nfs/dbraw/zinc/70/40/50/968704050.db2.gz PDSJNLAGVJRXNJ-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CSC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000128962121 1166129800 /nfs/dbraw/zinc/12/98/00/1166129800.db2.gz SUNKVIWHBFUQNK-MRVPVSSYSA-N 0 1 242.413 2.473 20 0 BEADMN CC1(CN2CCCC(F)(F)[C@@H](F)C2)COC1 ZINC001207791046 968885468 /nfs/dbraw/zinc/88/54/68/968885468.db2.gz LAHQFTJSLNBMAW-VIFPVBQESA-N 0 1 237.265 2.092 20 0 BEADMN CC/C=C\CCCN1CC(N2CC[C@H](F)C2)C1 ZINC001208135547 969041331 /nfs/dbraw/zinc/04/13/31/969041331.db2.gz GTFPLAYWARZUBM-SCOBNMCVSA-N 0 1 240.366 2.461 20 0 BEADMN CS[C@H](C)CCN1CCC(=O)[C@@H](F)CC1 ZINC001208140238 969055458 /nfs/dbraw/zinc/05/54/58/969055458.db2.gz YSSOTNYIDSVGIQ-ZJUUUORDSA-N 0 1 233.352 2.131 20 0 BEADMN CS[C@H](C)CCN(C)Cc1cncnc1 ZINC001208151816 969073939 /nfs/dbraw/zinc/07/39/39/969073939.db2.gz YTQOQJGPCQXCSC-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN CC(F)(F)C(C)(C)c1nc([C@H]2CCCN2)no1 ZINC000406113232 969089674 /nfs/dbraw/zinc/08/96/74/969089674.db2.gz PSQAXGKJBUZROO-SSDOTTSWSA-N 0 1 245.273 2.427 20 0 BEADMN C[C@@H](CCCO)NCc1csc(C2CC2)n1 ZINC000088762886 969130947 /nfs/dbraw/zinc/13/09/47/969130947.db2.gz DLFMWQWTDLMTQL-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN CCCCC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC001253520184 969197832 /nfs/dbraw/zinc/19/78/32/969197832.db2.gz UMPOQENSZAMAHM-UPJWGTAASA-N 0 1 229.364 2.037 20 0 BEADMN Cc1cc(CNc2ncc(C)s2)n[nH]1 ZINC000306277598 1166276067 /nfs/dbraw/zinc/27/60/67/1166276067.db2.gz OCCKFKVXDZWDOP-UHFFFAOYSA-N 0 1 208.290 2.095 20 0 BEADMN CC/C=C\CCN1CC[C@H]2C[C@]21C(=O)OCC ZINC001208725033 969209740 /nfs/dbraw/zinc/20/97/40/969209740.db2.gz GRUAKUNRGNVIPU-KIZSPLDGSA-N 0 1 237.343 2.370 20 0 BEADMN CCOC(=O)[C@]12C[C@H]1CCN2CCCC(C)C ZINC001208734504 969221875 /nfs/dbraw/zinc/22/18/75/969221875.db2.gz JDBLDQAJODIKIN-OCCSQVGLSA-N 0 1 239.359 2.450 20 0 BEADMN CCCCC[C@H](O)CN[C@@H](C)c1cnccn1 ZINC001253553472 969225996 /nfs/dbraw/zinc/22/59/96/969225996.db2.gz GDQFXTKDZJEOOF-RYUDHWBXSA-N 0 1 237.347 2.068 20 0 BEADMN CCc1nc(CC(=O)NOC(C)(C)C)cs1 ZINC000126029284 1166355255 /nfs/dbraw/zinc/35/52/55/1166355255.db2.gz AOJJTWITLWAXEC-UHFFFAOYSA-N 0 1 242.344 2.094 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000250662323 1166420132 /nfs/dbraw/zinc/42/01/32/1166420132.db2.gz GDTZMPBWUWXIDK-AVGNSLFASA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)O[C@H]1CCN(Cc2cncs2)C1 ZINC001209549688 969537245 /nfs/dbraw/zinc/53/72/45/969537245.db2.gz DYQSLSZTYZAMSZ-JTQLQIEISA-N 0 1 226.345 2.142 20 0 BEADMN C[C@@H]1COCCN1C1CCC(F)(F)CC1 ZINC001254218750 969544530 /nfs/dbraw/zinc/54/45/30/969544530.db2.gz SKEYCPWNUFCCCI-SECBINFHSA-N 0 1 219.275 2.285 20 0 BEADMN CSCC[C@H](C)N1CCC(=O)C[C@H]1C ZINC000252960444 1166456307 /nfs/dbraw/zinc/45/63/07/1166456307.db2.gz URCDKFFIGFPYKP-VHSXEESVSA-N 0 1 215.362 2.181 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@@H]1CCCOC1 ZINC001254386297 969602276 /nfs/dbraw/zinc/60/22/76/969602276.db2.gz NXRNBOMPJLYSOS-VXGBXAGGSA-N 0 1 220.316 2.044 20 0 BEADMN CCn1ccnc1CN[C@@H]1C=CCCC1 ZINC000309049497 1166471518 /nfs/dbraw/zinc/47/15/18/1166471518.db2.gz QCJWOAZNXPQONO-LLVKDONJSA-N 0 1 205.305 2.101 20 0 BEADMN COCC[C@H](C)N[C@@H](c1nc(C)no1)C(C)C ZINC000168061260 1166487246 /nfs/dbraw/zinc/48/72/46/1166487246.db2.gz OWOFMHCSYQKHJO-GXSJLCMTSA-N 0 1 241.335 2.090 20 0 BEADMN Cc1cc(N)ncc1Nc1cnnc(Cl)c1 ZINC001209961260 969722227 /nfs/dbraw/zinc/72/22/27/969722227.db2.gz FRAHSTDIHUPCPF-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN CC(C)c1nc(CNCCN2CCC2)cs1 ZINC000393743669 1166517356 /nfs/dbraw/zinc/51/73/56/1166517356.db2.gz JNLSETRWKMOQRA-UHFFFAOYSA-N 0 1 239.388 2.062 20 0 BEADMN CCc1cc(CNCc2csc(C)n2)n[nH]1 ZINC000393791479 1166527043 /nfs/dbraw/zinc/52/70/43/1166527043.db2.gz ZLYJTEGKKYVRBV-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN Cc1ccc(C(=O)CN[C@@H]2CCSC2)cc1 ZINC001255271337 970023375 /nfs/dbraw/zinc/02/33/75/970023375.db2.gz AJAZPTTYGBHGHE-GFCCVEGCSA-N 0 1 235.352 2.273 20 0 BEADMN CCCC[C@@H](C)n1nc(COC)c2c1CNC2 ZINC001255324439 970106110 /nfs/dbraw/zinc/10/61/10/970106110.db2.gz DMTTVGAVVSJLCG-SNVBAGLBSA-N 0 1 237.347 2.384 20 0 BEADMN CCN1N=C(c2ccc(F)cc2)CC1=O ZINC000394572824 1166599094 /nfs/dbraw/zinc/59/90/94/1166599094.db2.gz PUQHDPLKXCQYLZ-UHFFFAOYSA-N 0 1 206.220 2.415 20 0 BEADMN CCCC[C@@H](C)N(CC)CC(=O)OC ZINC001255333272 970117015 /nfs/dbraw/zinc/11/70/15/970117015.db2.gz JEKVTKWZNPMLCA-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ncoc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001141051431 1166630547 /nfs/dbraw/zinc/63/05/47/1166630547.db2.gz AAXMADHAPAYFCI-AOOOYVTPSA-N 0 1 242.269 2.460 20 0 BEADMN CN(C)Cc1ccc(Br)o1 ZINC000114220332 1166639950 /nfs/dbraw/zinc/63/99/50/1166639950.db2.gz LKYAESHBCQFKLV-UHFFFAOYSA-N 0 1 204.067 2.104 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(CCCCC)CC1 ZINC001112757111 970170058 /nfs/dbraw/zinc/17/00/58/970170058.db2.gz IMHMUSVNQXEJMY-ACAGNQJTSA-N 0 1 238.375 2.287 20 0 BEADMN CC(C)c1cc(Nc2cncn2C)on1 ZINC001211245286 970191039 /nfs/dbraw/zinc/19/10/39/970191039.db2.gz HAGQPNLYSYCJGG-UHFFFAOYSA-N 0 1 206.249 2.275 20 0 BEADMN COC[C@@H](C)NCC(=O)c1ccc(Cl)cc1 ZINC001255557667 970336229 /nfs/dbraw/zinc/33/62/29/970336229.db2.gz ZVJYLUYHIKXYJS-SECBINFHSA-N 0 1 241.718 2.147 20 0 BEADMN COC[C@@H](C)N[C@H]1COc2cc(Cl)ccc21 ZINC001255564939 970354927 /nfs/dbraw/zinc/35/49/27/970354927.db2.gz HTSNBDMVAMKEQE-KCJUWKMLSA-N 0 1 241.718 2.398 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2ncncc2C1 ZINC001255659172 970436468 /nfs/dbraw/zinc/43/64/68/970436468.db2.gz VYLGCZYOOFVYRR-MRVPVSSYSA-N 0 1 245.248 2.176 20 0 BEADMN CC[C@@H]1C[C@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001170205468 970573693 /nfs/dbraw/zinc/57/36/93/970573693.db2.gz ACNSANKUFXTRDP-WHOHXGKFSA-N 0 1 233.302 2.326 20 0 BEADMN C[C@@H](Nc1ccnc(N)n1)C1CCCC1 ZINC000087830958 1166868809 /nfs/dbraw/zinc/86/88/09/1166868809.db2.gz KSXQKQZWNTZXPJ-MRVPVSSYSA-N 0 1 206.293 2.049 20 0 BEADMN CCCOC1CCC(N2CC(OCC)C2)CC1 ZINC001173095596 975018467 /nfs/dbraw/zinc/01/84/67/975018467.db2.gz NNGMMSNFIQZPBP-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN CCCOC1CCC(N2CCC23COC3)CC1 ZINC001173099390 975043096 /nfs/dbraw/zinc/04/30/96/975043096.db2.gz HNZXEGAOYFKARO-UHFFFAOYSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@H]1C[C@@H](N[C@H]2CCCC2(F)F)CCO1 ZINC001173169395 975061359 /nfs/dbraw/zinc/06/13/59/975061359.db2.gz OFDMRYXRFMCTOM-GUBZILKMSA-N 0 1 219.275 2.331 20 0 BEADMN CCSC[C@H](C)N1CCC[C@]1(C)C(=O)OC ZINC001173298674 975186229 /nfs/dbraw/zinc/18/62/29/975186229.db2.gz BNXKCZCBKPTLOC-CMPLNLGQSA-N 0 1 245.388 2.156 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1cc(C)nn1C ZINC001173305310 975212231 /nfs/dbraw/zinc/21/22/31/975212231.db2.gz MHZGEAGBTZYJCQ-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC[C@H]2F)[nH]n1 ZINC000382061381 1167086980 /nfs/dbraw/zinc/08/69/80/1167086980.db2.gz CNRMFFPNFNWDLR-GHMZBOCLSA-N 0 1 211.284 2.088 20 0 BEADMN Cc1nnc([C@@H](C)NCCCC(C)(F)F)o1 ZINC001332854286 975293965 /nfs/dbraw/zinc/29/39/65/975293965.db2.gz QLRLKOADDPENFC-SSDOTTSWSA-N 0 1 233.262 2.464 20 0 BEADMN CC(C)n1cc(CNCc2cccc(O)c2)cn1 ZINC000383908625 1167170792 /nfs/dbraw/zinc/17/07/92/1167170792.db2.gz DYRXAIPTQZAMIT-UHFFFAOYSA-N 0 1 245.326 2.459 20 0 BEADMN Cn1cncc1Nc1ccc(F)c(F)c1 ZINC001173867854 975813413 /nfs/dbraw/zinc/81/34/13/975813413.db2.gz UBLHNFQVEBNSES-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN Cc1cc(CNc2ccccc2F)n[nH]1 ZINC000309193276 1167265536 /nfs/dbraw/zinc/26/55/36/1167265536.db2.gz QBHTZSNNNURWSE-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN CCOC(=O)c1cnoc1Nc1ccoc1 ZINC001173931831 976045669 /nfs/dbraw/zinc/04/56/69/976045669.db2.gz DZKYTPTUERPKMV-UHFFFAOYSA-N 0 1 222.200 2.188 20 0 BEADMN C[C@H](NCCCC(C)(C)CO)c1ncco1 ZINC000925131203 1167281981 /nfs/dbraw/zinc/28/19/81/1167281981.db2.gz SAXHITBEJOELQK-JTQLQIEISA-N 0 1 226.320 2.124 20 0 BEADMN FC(F)c1noc(CN[C@H]2CCCC23CC3)n1 ZINC001333852113 976121221 /nfs/dbraw/zinc/12/12/21/976121221.db2.gz WZFIGVIYZLGONL-ZETCQYMHSA-N 0 1 243.257 2.430 20 0 BEADMN C[C@H](Oc1nc(=O)[nH]cc1Cl)C1CCC1 ZINC001228480819 976244967 /nfs/dbraw/zinc/24/49/67/976244967.db2.gz PSHCBOHTTATXJE-LURJTMIESA-N 0 1 228.679 2.403 20 0 BEADMN O=c1ncc(Cl)c(O[C@@H]2C=CCCC2)[nH]1 ZINC001228479252 976246070 /nfs/dbraw/zinc/24/60/70/976246070.db2.gz CBBPWZVVWVSOPR-SSDOTTSWSA-N 0 1 226.663 2.323 20 0 BEADMN CC(C)(CC[N@@H+]1CCCC(F)(F)C1)C(=O)[O-] ZINC000259465866 976376628 /nfs/dbraw/zinc/37/66/28/976376628.db2.gz LPPRUAJLBCPMFF-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CC(C)(CC[N@H+]1CCCC(F)(F)C1)C(=O)[O-] ZINC000259465866 976376646 /nfs/dbraw/zinc/37/66/46/976376646.db2.gz LPPRUAJLBCPMFF-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CCC[C@H](CC)Oc1nc(OC)cc(=O)[nH]1 ZINC001228917267 976580662 /nfs/dbraw/zinc/58/06/62/976580662.db2.gz BWOZWPGICNBVIH-QMMMGPOBSA-N 0 1 226.276 2.148 20 0 BEADMN CN1CC[C@@H](Oc2cc(O)ccc2Cl)C1 ZINC001228226651 1167357752 /nfs/dbraw/zinc/35/77/52/1167357752.db2.gz NMYONOZQDDDIFA-SECBINFHSA-N 0 1 227.691 2.129 20 0 BEADMN CC(C)CC[C@@H](C)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229125719 976765510 /nfs/dbraw/zinc/76/55/10/976765510.db2.gz UFEWVXSGTJRROW-SSDOTTSWSA-N 0 1 244.266 2.230 20 0 BEADMN Cc1nnc(CN[C@H]2CCC[C@@H](F)C2)s1 ZINC001335540555 977128877 /nfs/dbraw/zinc/12/88/77/977128877.db2.gz PLCZSMCGAWBXTE-BDAKNGLRSA-N 0 1 229.324 2.217 20 0 BEADMN C/C=C(\C)c1ccc(-c2nn[nH]n2)cc1 ZINC000197424983 1167421275 /nfs/dbraw/zinc/42/12/75/1167421275.db2.gz HMPZDHDLXUSOQW-FPYGCLRLSA-N 0 1 200.245 2.290 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](N)c1ccccc1 ZINC000040458714 1167430678 /nfs/dbraw/zinc/43/06/78/1167430678.db2.gz ZSUIQWIJVNAZTH-YRGRVCCFSA-N 0 1 246.354 2.476 20 0 BEADMN Cc1cc(F)ncc1NC1=CCCN(C)C1 ZINC001175574214 977569261 /nfs/dbraw/zinc/56/92/61/977569261.db2.gz QLGIJGHLZNMRSX-UHFFFAOYSA-N 0 1 221.279 2.160 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCO[C@H](C)C2)s1 ZINC000381334938 1167544856 /nfs/dbraw/zinc/54/48/56/1167544856.db2.gz VKKXOHRXTJVSRX-WEDXCCLWSA-N 0 1 241.360 2.065 20 0 BEADMN COC[C@@H]1CCCN1Cc1cnc(F)cc1C ZINC001231979896 977821296 /nfs/dbraw/zinc/82/12/96/977821296.db2.gz KUXPVPMSJPYZGB-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1scnc1CN1CC[C@@H](C)[C@@](C)(O)C1 ZINC001232204347 977920984 /nfs/dbraw/zinc/92/09/84/977920984.db2.gz LJGLCDJGOYVKHP-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)CC1CC2(CCC2)C1 ZINC001595071938 977937591 /nfs/dbraw/zinc/93/75/91/977937591.db2.gz CFUGGQPVPQJNJX-UHFFFAOYSA-N 0 1 237.343 2.363 20 0 BEADMN C[C@]1(CF)CCN(Cc2cnsc2)C1 ZINC001232224418 977949020 /nfs/dbraw/zinc/94/90/20/977949020.db2.gz KLKRDMLLAULBJK-SNVBAGLBSA-N 0 1 214.309 2.325 20 0 BEADMN CN(CCc1ccncc1)Cc1cnsc1 ZINC001232227880 977956021 /nfs/dbraw/zinc/95/60/21/977956021.db2.gz UWUATIGLJZSOII-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN Cc1ncc(CN2CC[C@@H](CF)C(F)(F)C2)[nH]1 ZINC001232459303 978087077 /nfs/dbraw/zinc/08/70/77/978087077.db2.gz BTHSWSQCGMGDCZ-VIFPVBQESA-N 0 1 247.264 2.145 20 0 BEADMN Cc1ncc(CN2CC(F)(F)C[C@]2(C)CF)[nH]1 ZINC001232460417 978095329 /nfs/dbraw/zinc/09/53/29/978095329.db2.gz PWLWVLKXFMCVND-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN CC(C)N1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001483674350 1167698924 /nfs/dbraw/zinc/69/89/24/1167698924.db2.gz YLOLNLUUUGLIJP-LBPRGKRZSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[N@H+](C)Cc1cc(Cl)ncc1[O-] ZINC001233033460 978422947 /nfs/dbraw/zinc/42/29/47/978422947.db2.gz PAJYUTFDCTUMHJ-UHFFFAOYSA-N 0 1 214.696 2.282 20 0 BEADMN CCC[N@@H+](C)Cc1cc(Cl)ncc1[O-] ZINC001233033460 978422956 /nfs/dbraw/zinc/42/29/56/978422956.db2.gz PAJYUTFDCTUMHJ-UHFFFAOYSA-N 0 1 214.696 2.282 20 0 BEADMN CCN(Cc1cccc(O)c1F)CC(C)(C)O ZINC001233054851 978450193 /nfs/dbraw/zinc/45/01/93/978450193.db2.gz ANIYCSQCFQUZTG-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233261929 978522204 /nfs/dbraw/zinc/52/22/04/978522204.db2.gz JUKSPQRSDLMCCD-ZYHUDNBSSA-N 0 1 237.368 2.321 20 0 BEADMN O[C@@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC001233314060 978539704 /nfs/dbraw/zinc/53/97/04/978539704.db2.gz FRUKFAPQWHAXDN-SECBINFHSA-N 0 1 229.707 2.280 20 0 BEADMN CN(CCC1OCCO1)Cc1ccc(Cl)o1 ZINC001233316500 978546957 /nfs/dbraw/zinc/54/69/57/978546957.db2.gz LEZVFFIFGJZNHV-UHFFFAOYSA-N 0 1 245.706 2.128 20 0 BEADMN CCCO[C@H]1CCN(Cc2sncc2C)C1 ZINC001233320567 978556092 /nfs/dbraw/zinc/55/60/92/978556092.db2.gz FPYIKAMVGLILNF-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CCC1(O)CCN(Cc2sncc2C)CC1 ZINC001233321499 978555412 /nfs/dbraw/zinc/55/54/12/978555412.db2.gz REBQRUDTXQBXBW-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1cncc(Cl)n1 ZINC001233447440 978608670 /nfs/dbraw/zinc/60/86/70/978608670.db2.gz GSSIZZBBKMRAHH-QMMMGPOBSA-N 0 1 213.712 2.360 20 0 BEADMN O=c1cc(Cl)c(OC2CC(F)(F)C2)n[nH]1 ZINC001233587785 978634406 /nfs/dbraw/zinc/63/44/06/978634406.db2.gz ZPUYFBAXJUKAGB-UHFFFAOYSA-N 0 1 236.605 2.012 20 0 BEADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)oc1C(=O)[O-] ZINC001600192131 978675009 /nfs/dbraw/zinc/67/50/09/978675009.db2.gz VPKLXHUMCYNBOD-DTORHVGOSA-N 0 1 223.272 2.269 20 0 BEADMN CC1(C)CC(=O)N1CN1CCCC(C)(C)C1 ZINC001338740381 978728323 /nfs/dbraw/zinc/72/83/23/978728323.db2.gz RGWNWXXMBDWVHS-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CO[C@H](CC(C)C)C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001339153412 978807357 /nfs/dbraw/zinc/80/73/57/978807357.db2.gz YNUJCEZDGBEARF-LLVKDONJSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)N(C)Cc1cc(OC)ncc1F ZINC001235312836 979022579 /nfs/dbraw/zinc/02/25/79/979022579.db2.gz UVKJNJSDTQGLDY-VIFPVBQESA-N 0 1 226.295 2.460 20 0 BEADMN OCCN1CCC[C@H]1c1cc(F)ccc1F ZINC001235713824 979128504 /nfs/dbraw/zinc/12/85/04/979128504.db2.gz GUKGHIXCMBRYJS-LBPRGKRZSA-N 0 1 227.254 2.094 20 0 BEADMN C/C=C/C=C/C(=O)Nc1cc(C#N)ccc1O ZINC000179741537 1168223249 /nfs/dbraw/zinc/22/32/49/1168223249.db2.gz BIACHSCMIQWYCP-MQQKCMAXSA-N 0 1 228.251 2.335 20 0 BEADMN CCC1(CC)C[C@@H]1C(=O)NCc1cc(C)[nH]n1 ZINC001181886124 979356011 /nfs/dbraw/zinc/35/60/11/979356011.db2.gz IZQYZVIHGBZOEZ-LLVKDONJSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)C(C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C(C)C ZINC001603724478 979507600 /nfs/dbraw/zinc/50/76/00/979507600.db2.gz RZMBDNOFDQMHCS-ITGUQSILSA-N 0 1 239.359 2.177 20 0 BEADMN CC(C)CC[N@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001603792707 979521253 /nfs/dbraw/zinc/52/12/53/979521253.db2.gz BIXIZRWACXDICA-UHFFFAOYSA-N 0 1 242.344 2.319 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001603792707 979521269 /nfs/dbraw/zinc/52/12/69/979521269.db2.gz BIXIZRWACXDICA-UHFFFAOYSA-N 0 1 242.344 2.319 20 0 BEADMN CCc1nnc(CNCCCOC(C)C)s1 ZINC000690483381 979542867 /nfs/dbraw/zinc/54/28/67/979542867.db2.gz FOTABYCQXNDHOT-UHFFFAOYSA-N 0 1 243.376 2.005 20 0 BEADMN CNc1ccc(-c2nccc3c2CCN3)c(F)n1 ZINC001239399825 1168275526 /nfs/dbraw/zinc/27/55/26/1168275526.db2.gz BLPDJZNIZBFYGO-UHFFFAOYSA-N 0 1 244.273 2.292 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCC2)C1 ZINC000083839846 1168281380 /nfs/dbraw/zinc/28/13/80/1168281380.db2.gz ZVBOFNHDSLUIMJ-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CCCCC(=O)NC1(C)CCN(CCF)CC1 ZINC001671398012 1168289002 /nfs/dbraw/zinc/28/90/02/1168289002.db2.gz BFYLCHGDSBZSSV-UHFFFAOYSA-N 0 1 244.354 2.117 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCN1C(C)C ZINC001182869629 979665227 /nfs/dbraw/zinc/66/52/27/979665227.db2.gz MXIKOICYBGAUEE-XQQFMLRXSA-N 0 1 240.391 2.410 20 0 BEADMN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC001236641786 979683077 /nfs/dbraw/zinc/68/30/77/979683077.db2.gz YMCJVJJNQGLTNQ-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC001604923171 979770120 /nfs/dbraw/zinc/77/01/20/979770120.db2.gz HKHITDBTAXAIKM-QWRGUYRKSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H]([NH3+])CN(C)Cc1cccc([O-])c1Cl ZINC001236883487 979776946 /nfs/dbraw/zinc/77/69/46/979776946.db2.gz CSBNAEBOFLJFLQ-JTQLQIEISA-N 0 1 242.750 2.215 20 0 BEADMN N[C@H](C(=O)Nc1ccsc1)c1ccccc1 ZINC000085535074 1168341068 /nfs/dbraw/zinc/34/10/68/1168341068.db2.gz KETOBTSNXABWMP-NSHDSACASA-N 0 1 232.308 2.387 20 0 BEADMN C[C@@H]1CN(C[C@@](C)(O)c2ccccc2)[C@H](C)CO1 ZINC000252445329 1168364119 /nfs/dbraw/zinc/36/41/19/1168364119.db2.gz YAWNDFHVKXSODO-UMVBOHGHSA-N 0 1 249.354 2.003 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CC[C@@H](CF)C1 ZINC000711481791 1168407217 /nfs/dbraw/zinc/40/72/17/1168407217.db2.gz OAYSBWNUYQTIAL-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN COc1ccoc1CN1CCC2(CC2)C1 ZINC001237868723 980106455 /nfs/dbraw/zinc/10/64/55/980106455.db2.gz MZQVZZFJIIXOFN-UHFFFAOYSA-N 0 1 207.273 2.274 20 0 BEADMN CCN(C)Cc1cc(C2CC2)cnc1OC ZINC001238026099 980130404 /nfs/dbraw/zinc/13/04/04/980130404.db2.gz CPNHQLPZEZECIH-UHFFFAOYSA-N 0 1 220.316 2.419 20 0 BEADMN CN(Cc1c(N)ccnc1F)C[C@H]1CC1(C)C ZINC001238158909 980186849 /nfs/dbraw/zinc/18/68/49/980186849.db2.gz FJUVNKFIVIOOLY-SECBINFHSA-N 0 1 237.322 2.281 20 0 BEADMN COc1cc(CN2CC[C@@H](C)C2)cnc1F ZINC001238452493 980266232 /nfs/dbraw/zinc/26/62/32/980266232.db2.gz MRTLEYGLHSTGBW-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN CC[C@@H](C)COC(=O)N1CCNC[C@H]1C(C)C ZINC001239333268 980539378 /nfs/dbraw/zinc/53/93/78/980539378.db2.gz BXGQRUXPTRGAMB-NEPJUHHUSA-N 0 1 242.363 2.099 20 0 BEADMN c1cc(OCC2CC2)cc(N[C@H]2CCCOC2)n1 ZINC001169662523 1168499194 /nfs/dbraw/zinc/49/91/94/1168499194.db2.gz MIZDUMVIEUWZTR-LBPRGKRZSA-N 0 1 248.326 2.461 20 0 BEADMN C[C@H](Sc1c[nH]nn1)c1ccc(F)nc1 ZINC001188854006 980716437 /nfs/dbraw/zinc/71/64/37/980716437.db2.gz OBXIQGHYGQAEBB-LURJTMIESA-N 0 1 224.264 2.192 20 0 BEADMN Nc1cccc(-c2cc(F)c(O)c(F)c2)n1 ZINC001244092564 1168547748 /nfs/dbraw/zinc/54/77/48/1168547748.db2.gz JXEVVGJGTNJGGZ-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN OCc1c(F)cccc1-c1cncc2nc[nH]c21 ZINC001244562011 1168560860 /nfs/dbraw/zinc/56/08/60/1168560860.db2.gz ZGNVRRHESZZLSE-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C[C@H]1COCCN1Cc1c[nH]c2ccccc12 ZINC001204041472 1168563106 /nfs/dbraw/zinc/56/31/06/1168563106.db2.gz OEUCAXPSZLEDJF-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN C[C@H]([C@H](C)O)N1CCc2cc(Cl)ccc2C1 ZINC001193345469 981294315 /nfs/dbraw/zinc/29/43/15/981294315.db2.gz CFYZLWNBQNNQEW-ZJUUUORDSA-N 0 1 239.746 2.467 20 0 BEADMN CCCCOC(=O)N1CCN2CCCC[C@H]2C1 ZINC001193686854 981410939 /nfs/dbraw/zinc/41/09/39/981410939.db2.gz WOQQDIMYKQSTKS-LBPRGKRZSA-N 0 1 240.347 2.093 20 0 BEADMN CC(C)COCC[C@H](C)N1CCC(=O)C[C@H]1C ZINC001172470775 1168680280 /nfs/dbraw/zinc/68/02/80/1168680280.db2.gz DHTJMDMVDBYHHV-QWHCGFSZSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)(C)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000065006415 1168687166 /nfs/dbraw/zinc/68/71/66/1168687166.db2.gz JGGLXBDGEGKKQU-UHFFFAOYSA-N 0 1 247.298 2.040 20 0 BEADMN Clc1ncc(Nc2ncc[nH]2)c(Cl)n1 ZINC001176080213 1168702496 /nfs/dbraw/zinc/70/24/96/1168702496.db2.gz PADQFLIAYLWLCT-UHFFFAOYSA-N 0 1 230.058 2.250 20 0 BEADMN CC[C@H](C)OC(=O)N1CCN(C2CCC2)CC1 ZINC001195077310 982054823 /nfs/dbraw/zinc/05/48/23/982054823.db2.gz RTDAOEIRRPCJJA-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN CC[C@@H](C)OC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001195087337 982072116 /nfs/dbraw/zinc/07/21/16/982072116.db2.gz WSWBKCLERSBUEL-RXMQYKEDSA-N 0 1 245.666 2.183 20 0 BEADMN CCCC[C@@](C)(F)C(=O)Nc1n[nH]c(CC)n1 ZINC001351132934 982214160 /nfs/dbraw/zinc/21/41/60/982214160.db2.gz QDUOOCUWYLLHPM-LLVKDONJSA-N 0 1 242.298 2.224 20 0 BEADMN CCCC[C@@](C)(F)C(=O)Nc1nc(CC)n[nH]1 ZINC001351132934 982214169 /nfs/dbraw/zinc/21/41/69/982214169.db2.gz QDUOOCUWYLLHPM-LLVKDONJSA-N 0 1 242.298 2.224 20 0 BEADMN COC(=O)c1cc2[nH]c(C3CC3)nc2cc1OC ZINC001250427131 1168781960 /nfs/dbraw/zinc/78/19/60/1168781960.db2.gz UQXAEOQXMBGYGQ-UHFFFAOYSA-N 0 1 246.266 2.236 20 0 BEADMN O=C(Nc1ccc[nH]1)c1c(O)ccc(F)c1F ZINC001192730567 1168790959 /nfs/dbraw/zinc/79/09/59/1168790959.db2.gz YLVLVUKXLUPPLN-UHFFFAOYSA-N 0 1 238.193 2.251 20 0 BEADMN COc1cc(C)cnc1C1=CCN(C)CC1 ZINC001241311144 982454838 /nfs/dbraw/zinc/45/48/38/982454838.db2.gz QRNHBPWLVMGLLG-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CC=C(c2cc(F)nc(F)c2)CC1 ZINC001241322961 982485614 /nfs/dbraw/zinc/48/56/14/982485614.db2.gz UZPBEZBMDYEAOB-UHFFFAOYSA-N 0 1 210.227 2.079 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)n1 ZINC001198407159 982703457 /nfs/dbraw/zinc/70/34/57/982703457.db2.gz RCMLJRQMJPTPJI-UWVGGRQHSA-N 0 1 235.331 2.330 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001589445109 982794442 /nfs/dbraw/zinc/79/44/42/982794442.db2.gz KMNCMFXTQLVIBW-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CCOc1cccc(C2=CCCN(C)C2)n1 ZINC001241566078 982810273 /nfs/dbraw/zinc/81/02/73/982810273.db2.gz UCXDNYSSJZBTFY-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CC(C)(C)CN1CC([NH+]2CCC(F)CC2)C1 ZINC001201443946 983247361 /nfs/dbraw/zinc/24/73/61/983247361.db2.gz ZSGXCXSFEUSBCN-UHFFFAOYSA-N 0 1 228.355 2.151 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001202065541 983546263 /nfs/dbraw/zinc/54/62/63/983546263.db2.gz RYVOFOMWGWYHRH-CMPLNLGQSA-N 0 1 217.328 2.217 20 0 BEADMN NCc1nccnc1Sc1cccs1 ZINC000054378773 1169138302 /nfs/dbraw/zinc/13/83/02/1169138302.db2.gz OFZJRIFALFPWNZ-UHFFFAOYSA-N 0 1 223.326 2.148 20 0 BEADMN CC(C)NC(=O)Nc1c(O)cc(F)cc1F ZINC001202526090 983865458 /nfs/dbraw/zinc/86/54/58/983865458.db2.gz WDCAWGUYDZCPFF-UHFFFAOYSA-N 0 1 230.214 2.200 20 0 BEADMN CCC[C@H](O)CNCc1c(F)ccc(F)c1F ZINC001252799381 983894906 /nfs/dbraw/zinc/89/49/06/983894906.db2.gz UUUBKAUZWDJUHP-QMMMGPOBSA-N 0 1 247.260 2.355 20 0 BEADMN CCC[C@@H](C)[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC001573727198 984040153 /nfs/dbraw/zinc/04/01/53/984040153.db2.gz BLZJFOLWXJNQNJ-ZWNOBZJWSA-N 0 1 243.322 2.454 20 0 BEADMN C1CC12C[C@@H]2c1nc([C@H]2CN3CCC2CC3)no1 ZINC000351340890 1169207586 /nfs/dbraw/zinc/20/75/86/1169207586.db2.gz VHRMHDAFXRMWNJ-WDEREUQCSA-N 0 1 245.326 2.146 20 0 BEADMN CCn1cnc(Cl)c1CN[C@H](C)[C@H](C)OC ZINC001202611856 984125118 /nfs/dbraw/zinc/12/51/18/984125118.db2.gz OBXIRZDOPROHFK-BDAKNGLRSA-N 0 1 245.754 2.069 20 0 BEADMN CC(C)Cn1cnc(CN[C@H]2CCSC2)c1 ZINC001255275642 1169242358 /nfs/dbraw/zinc/24/23/58/1169242358.db2.gz MEGDMMXQRNYXGJ-NSHDSACASA-N 0 1 239.388 2.134 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@@H](C(=O)[O-])C1CC1 ZINC000308997252 950662687 /nfs/dbraw/zinc/66/26/87/950662687.db2.gz KFMMMMUMLPQRES-LLVKDONJSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]1C ZINC000752088114 1169272498 /nfs/dbraw/zinc/27/24/98/1169272498.db2.gz JPRPPHSFFIPVDQ-CHWSQXEVSA-N 0 1 247.338 2.460 20 0 BEADMN CCCCOC1CN([C@H](C)CCOCC)C1 ZINC001172428610 974707519 /nfs/dbraw/zinc/70/75/19/974707519.db2.gz KBCJEBQKHHQLHD-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CCN1C[C@@H](C)N([C@@H](C)CCC(C)C)CC1=O ZINC001256370668 1169285488 /nfs/dbraw/zinc/28/54/88/1169285488.db2.gz BVSQXKGKJDBIPE-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](c1cccs1)N(C)CC[S@@](C)=O ZINC000798194071 1169295621 /nfs/dbraw/zinc/29/56/21/1169295621.db2.gz ULGGCKZHYFSMJW-LKFCYVNXSA-N 0 1 231.386 2.119 20 0 BEADMN CC(C)COCC[C@@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172473387 974769642 /nfs/dbraw/zinc/76/96/42/974769642.db2.gz LYFLYGNPVOCCRM-QWHCGFSZSA-N 0 1 241.375 2.349 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCCC(=O)CC1 ZINC001172448336 974810458 /nfs/dbraw/zinc/81/04/58/974810458.db2.gz VTOKJABJGRPIOD-GFCCVEGCSA-N 0 1 227.348 2.245 20 0 BEADMN CC(C)COCC[C@@H](C)NCc1ncco1 ZINC001172453095 974816210 /nfs/dbraw/zinc/81/62/10/974816210.db2.gz BMESKQRNLJUAEZ-LLVKDONJSA-N 0 1 226.320 2.215 20 0 BEADMN CC(C)OCC[C@@H](C)N1CC(OC(C)C)C1 ZINC001172453288 974816436 /nfs/dbraw/zinc/81/64/36/974816436.db2.gz GRRVSAPWNDTWCE-GFCCVEGCSA-N 0 1 229.364 2.299 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140274765 1169369384 /nfs/dbraw/zinc/36/93/84/1169369384.db2.gz HIPAZSSPUKINNK-JTQLQIEISA-N 0 1 206.289 2.019 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1ccccn1 ZINC001223000507 972793412 /nfs/dbraw/zinc/79/34/12/972793412.db2.gz OPPOQMOAGHGRQQ-SECBINFHSA-N 0 1 203.245 2.083 20 0 BEADMN CCC[C@@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223027140 972804731 /nfs/dbraw/zinc/80/47/31/972804731.db2.gz MFUXFVHZCGCJSY-LLVKDONJSA-N 0 1 238.335 2.465 20 0 BEADMN Cc1nn(C)c(C)c1C[N@H+]1CC[C@](C)(CF)C1 ZINC001203053716 1169375017 /nfs/dbraw/zinc/37/50/17/1169375017.db2.gz UXPMXTRSEJCAFI-CYBMUJFWSA-N 0 1 239.338 2.218 20 0 BEADMN CC[N@@H+](Cc1sccc1C(=O)[O-])C1CC1 ZINC001144665786 972930011 /nfs/dbraw/zinc/93/00/11/972930011.db2.gz VIWAQKSTOUJJEZ-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])cc[nH+]2)CS1 ZINC000397822122 973024321 /nfs/dbraw/zinc/02/43/21/973024321.db2.gz FCWLLMQZXSIGMD-IONNQARKSA-N 0 1 238.312 2.086 20 0 BEADMN Cc1ccc(NCc2nnc[nH]2)cc1C ZINC001328488200 973090840 /nfs/dbraw/zinc/09/08/40/973090840.db2.gz SMVHGTZKQWKWBI-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000402216740 970767967 /nfs/dbraw/zinc/76/79/67/970767967.db2.gz OUBIPEFARMLNHO-DGCLKSJQSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1nnc(CN)n1[C@@H](C)CCC(C)C ZINC001256367133 970771909 /nfs/dbraw/zinc/77/19/09/970771909.db2.gz YBNLGLCATDYJTQ-VIFPVBQESA-N 0 1 210.325 2.042 20 0 BEADMN Cn1ccnc1Nc1cc(F)c(O)cc1F ZINC001215570169 970787906 /nfs/dbraw/zinc/78/79/06/970787906.db2.gz NFCVUJWQCKJDRG-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CC(=O)[C@H]1CN([C@H](C)CCC(C)C)CCO1 ZINC001256373676 970789846 /nfs/dbraw/zinc/78/98/46/970789846.db2.gz DLCNKXPMLYAZLE-DGCLKSJQSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1nc(CN[C@H]2CO[C@@H](C)C2)sc1C ZINC000402369270 970794137 /nfs/dbraw/zinc/79/41/37/970794137.db2.gz XRQIRLSCPOUPBM-OIBJUYFYSA-N 0 1 226.345 2.027 20 0 BEADMN CCc1coc(CN[C@@H](C)Cc2ccccn2)n1 ZINC001256395085 970803940 /nfs/dbraw/zinc/80/39/40/970803940.db2.gz DEDLXSVHPANEHD-NSHDSACASA-N 0 1 245.326 2.353 20 0 BEADMN COc1cc(C)cc(F)c1-n1cnc(C)c1N ZINC001215707584 970813745 /nfs/dbraw/zinc/81/37/45/970813745.db2.gz HJZXXZGGJUMYPA-UHFFFAOYSA-N 0 1 235.262 2.219 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCC(=O)[C@H](C)CC1 ZINC001256409109 970814015 /nfs/dbraw/zinc/81/40/15/970814015.db2.gz BAVFNQCWMZIZPV-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 ZINC001256408781 970815377 /nfs/dbraw/zinc/81/53/77/970815377.db2.gz DDAJULFQGJMLAI-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H](F)C[C@H]1C ZINC001256411437 970818489 /nfs/dbraw/zinc/81/84/89/970818489.db2.gz RDYUAMRDOFKDLD-WOPDTQHZSA-N 0 1 222.307 2.445 20 0 BEADMN C[C@H](Cc1ccccn1)N1CC[C@@H](F)C1 ZINC001256411100 970818503 /nfs/dbraw/zinc/81/85/03/970818503.db2.gz OOKTWQZCZASGAW-GHMZBOCLSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCOCC1(C)C ZINC001256416448 970822199 /nfs/dbraw/zinc/82/21/99/970822199.db2.gz BSZJELGPLCINFC-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1ccc(F)c(Nc2ccnc(CO)c2)c1O ZINC001215738289 970823567 /nfs/dbraw/zinc/82/35/67/970823567.db2.gz VKDWLHFSHQLTHG-UHFFFAOYSA-N 0 1 248.257 2.471 20 0 BEADMN Cc1ccc(F)c(Nc2cncn2C)c1O ZINC001215738040 970823886 /nfs/dbraw/zinc/82/38/86/970823886.db2.gz IRSUOLIWMTZFFV-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN CCOc1ccc(C)c(F)c1-n1cncc1N ZINC001215762067 970835822 /nfs/dbraw/zinc/83/58/22/970835822.db2.gz SSVXQUDEAVZFGC-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CCOC1CCC(N2Cc3cncnc3C2)CC1 ZINC001256436272 970838873 /nfs/dbraw/zinc/83/88/73/970838873.db2.gz GJZDZILWQNOOTD-UHFFFAOYSA-N 0 1 247.342 2.140 20 0 BEADMN CCOC1CCC(N2CC(OC(C)C)C2)CC1 ZINC001256445784 970843747 /nfs/dbraw/zinc/84/37/47/970843747.db2.gz VBEOUOOFFDGCCL-UHFFFAOYSA-N 0 1 241.375 2.443 20 0 BEADMN CSc1cc(F)cc(Nc2nonc2N)c1 ZINC001215902743 970873719 /nfs/dbraw/zinc/87/37/19/970873719.db2.gz RVTDDRKCLAFZNU-UHFFFAOYSA-N 0 1 240.263 2.256 20 0 BEADMN CC(C)c1ccc(N)c(-n2cncc2N)c1 ZINC001216020219 970899848 /nfs/dbraw/zinc/89/98/48/970899848.db2.gz AUCLIZGDMVHPGK-UHFFFAOYSA-N 0 1 216.288 2.160 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001256735491 970960755 /nfs/dbraw/zinc/96/07/55/970960755.db2.gz BMSAZRQTZOGUPU-VZZFWQQMSA-N 0 1 234.318 2.302 20 0 BEADMN c1ccc([C@H]2C[C@@H](N3CCOCC3)CCO2)cc1 ZINC001256808212 970994233 /nfs/dbraw/zinc/99/42/33/970994233.db2.gz UOINPYPGLRIGBT-LSDHHAIUSA-N 0 1 247.338 2.239 20 0 BEADMN CN(C)Cc1cccc(Nc2cncnc2)c1F ZINC001216226908 970994218 /nfs/dbraw/zinc/99/42/18/970994218.db2.gz GRWPXQGBRSHQBZ-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN Cc1cccc(CCN2C[C@@H]3C[C@H]2CO3)c1 ZINC001207539162 1169496024 /nfs/dbraw/zinc/49/60/24/1169496024.db2.gz YNVRXGBPBFUYTQ-KBPBESRZSA-N 0 1 217.312 2.011 20 0 BEADMN CCC1CCC(Nc2nccnc2CN)CC1 ZINC001256868498 971002528 /nfs/dbraw/zinc/00/25/28/971002528.db2.gz VHIUOPBZFQWAJY-UHFFFAOYSA-N 0 1 234.347 2.316 20 0 BEADMN COc1ccnc(Nc2ccc(OC)c(N)c2)c1 ZINC001216254277 971003011 /nfs/dbraw/zinc/00/30/11/971003011.db2.gz FODWCNHDYPYQHM-UHFFFAOYSA-N 0 1 245.282 2.425 20 0 BEADMN Fc1ccc(CCCN2CCO[C@H]3C[C@H]32)cc1 ZINC001208775506 1169507630 /nfs/dbraw/zinc/50/76/30/1169507630.db2.gz SFRHUCRGKGSUGO-KGLIPLIRSA-N 0 1 235.302 2.231 20 0 BEADMN COc1cc(-c2ccc3[nH]c(C)nc3c2)ncn1 ZINC001243962729 971060189 /nfs/dbraw/zinc/06/01/89/971060189.db2.gz HIPUDZWFGZVVNG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)(C)C)[C@H](C)CO1 ZINC000403778240 971061697 /nfs/dbraw/zinc/06/16/97/971061697.db2.gz UNMUZANBFNJNBL-VXGBXAGGSA-N 0 1 241.375 2.491 20 0 BEADMN COc1cnc(F)c(Nc2nc(C)co2)c1 ZINC001216405571 971078977 /nfs/dbraw/zinc/07/89/77/971078977.db2.gz QLFKIKJUPYUUQA-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC001257069909 971085893 /nfs/dbraw/zinc/08/58/93/971085893.db2.gz JDKRJJXWDHSZAO-BZBKMWRSSA-N 0 1 238.331 2.337 20 0 BEADMN C[C@@H]1CC(N2C[C@@H](F)C[C@H]2CF)C[C@@H](C)O1 ZINC001257089815 971101427 /nfs/dbraw/zinc/10/14/27/971101427.db2.gz JCUQTDJZXDUGAM-SVDPJWKOSA-N 0 1 233.302 2.324 20 0 BEADMN Nc1cccn1-c1cncn1Cc1ccccc1 ZINC001216550529 971123916 /nfs/dbraw/zinc/12/39/16/971123916.db2.gz GGOPCJQMGKOOFN-UHFFFAOYSA-N 0 1 238.294 2.304 20 0 BEADMN CN(Cc1ccc(O)cc1F)[C@@H]1CCCOC1 ZINC000404148720 971138920 /nfs/dbraw/zinc/13/89/20/971138920.db2.gz QQUDCVKDCDHYNL-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1noc2ccc(Nc3nnco3)cc12 ZINC001216637316 971143061 /nfs/dbraw/zinc/14/30/61/971143061.db2.gz GMNXZVXPGZVNCZ-UHFFFAOYSA-N 0 1 216.200 2.263 20 0 BEADMN COCCNCc1ccc(OC(F)F)cc1F ZINC000404201489 971145275 /nfs/dbraw/zinc/14/52/75/971145275.db2.gz PYEZCYGUDLMAOM-UHFFFAOYSA-N 0 1 249.232 2.163 20 0 BEADMN OCCCN(Cc1ccc(Cl)nc1)C1CC1 ZINC000404308175 971150949 /nfs/dbraw/zinc/15/09/49/971150949.db2.gz LMWARRKHAKRYLV-UHFFFAOYSA-N 0 1 240.734 2.082 20 0 BEADMN CCC[C@@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257309566 971202143 /nfs/dbraw/zinc/20/21/43/971202143.db2.gz NKRYRQWYSGHKRK-RKDXNWHRSA-N 0 1 211.284 2.455 20 0 BEADMN CCC[C@H](C)N1CCN(C(=O)C2CCC2)CC1 ZINC001257325549 971227441 /nfs/dbraw/zinc/22/74/41/971227441.db2.gz KREORSMJWMKKLX-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN OCc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000405192265 1169546331 /nfs/dbraw/zinc/54/63/31/1169546331.db2.gz YFEIWFWDAXHGIR-UHFFFAOYSA-N 0 1 241.281 2.410 20 0 BEADMN CCCC(CCC)n1c(C)nnc1CN ZINC001257334466 971237874 /nfs/dbraw/zinc/23/78/74/971237874.db2.gz WGMXYFJZXVKFIS-UHFFFAOYSA-N 0 1 210.325 2.187 20 0 BEADMN CCCCCC[C@H](C)N1CCNC(=O)[C@H]1C ZINC001257368893 971290059 /nfs/dbraw/zinc/29/00/59/971290059.db2.gz LWZIDWXCZXUWKQ-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN CCCC[C@@H](CC)n1c(C)nnc1CN ZINC001257419121 971315871 /nfs/dbraw/zinc/31/58/71/971315871.db2.gz SIJWIDPFPYAVLX-SNVBAGLBSA-N 0 1 210.325 2.187 20 0 BEADMN CC(C)(C)Cc1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693033 971323482 /nfs/dbraw/zinc/32/34/82/971323482.db2.gz PNRQWVYACWPLOU-SECBINFHSA-N 0 1 249.314 2.494 20 0 BEADMN CCCC[C@@H](CC)N1CCO[C@H](C(C)=O)C1 ZINC001257425975 971327032 /nfs/dbraw/zinc/32/70/32/971327032.db2.gz DEVJRPZWIODLDQ-OLZOCXBDSA-N 0 1 227.348 2.245 20 0 BEADMN CC(C)(N)c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217697197 971336388 /nfs/dbraw/zinc/33/63/88/971336388.db2.gz XYVWJBUIXOVWPC-UHFFFAOYSA-N 0 1 243.310 2.419 20 0 BEADMN CCCc1nnc([C@@H](CC(C)C)NC)o1 ZINC001217714194 971351916 /nfs/dbraw/zinc/35/19/16/971351916.db2.gz FKSWFZHAJHYCJO-SECBINFHSA-N 0 1 211.309 2.329 20 0 BEADMN CCc1ccc(-c2nnc([C@H]3CCN3)o2)cc1 ZINC001217717467 971354610 /nfs/dbraw/zinc/35/46/10/971354610.db2.gz CIEZZZZBJFGLQO-LLVKDONJSA-N 0 1 229.283 2.333 20 0 BEADMN CC[C@@H](C)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001257441203 971354746 /nfs/dbraw/zinc/35/47/46/971354746.db2.gz XXHQTOXVAGJDMR-BXUZGUMPSA-N 0 1 244.338 2.298 20 0 BEADMN CC[C@@H](C)N1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001257442399 971355943 /nfs/dbraw/zinc/35/59/43/971355943.db2.gz BFDAEMRBOZBVEC-SNVBAGLBSA-N 0 1 242.363 2.384 20 0 BEADMN c1ccc(CCCc2nnc([C@H]3CCN3)o2)cc1 ZINC001217718038 971360240 /nfs/dbraw/zinc/36/02/40/971360240.db2.gz HWXSEKZVBCGTQD-GFCCVEGCSA-N 0 1 243.310 2.279 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc(Cc2ccccc2)o1 ZINC001217733953 971370966 /nfs/dbraw/zinc/37/09/66/971370966.db2.gz RCRUWBUFDUHPOQ-CQSZACIVSA-N 0 1 245.326 2.490 20 0 BEADMN CCOCc1ncn2c1CN([C@H](C)CC)CC2 ZINC001257446171 971364127 /nfs/dbraw/zinc/36/41/27/971364127.db2.gz YGJDZTCCONAVOJ-LLVKDONJSA-N 0 1 237.347 2.034 20 0 BEADMN CC(=O)c1cc(-c2cc3c(nn2)CNC3)cs1 ZINC001244623661 971369416 /nfs/dbraw/zinc/36/94/16/971369416.db2.gz OAWZDUVPRRMELR-UHFFFAOYSA-N 0 1 245.307 2.011 20 0 BEADMN CN[C@H](c1nnc(C2CCC2)o1)C(C)C ZINC001217727800 971369959 /nfs/dbraw/zinc/36/99/59/971369959.db2.gz SIFGBAXFSNALJS-VIFPVBQESA-N 0 1 209.293 2.254 20 0 BEADMN Cc1noc2ccc(CN3CCC3)cc12 ZINC001248686927 974093768 /nfs/dbraw/zinc/09/37/68/974093768.db2.gz AFSPDCFEJXJCCP-UHFFFAOYSA-N 0 1 202.257 2.342 20 0 BEADMN CN(Cc1nnc2ccccn21)C1CCCCC1 ZINC001257455054 971377868 /nfs/dbraw/zinc/37/78/68/971377868.db2.gz VXPNMYQYMVVOOQ-UHFFFAOYSA-N 0 1 244.342 2.494 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001257478753 971403446 /nfs/dbraw/zinc/40/34/46/971403446.db2.gz TULVTZBBCULWCJ-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@@H](C)N1CCOC[C@@H]1COC ZINC001257520425 971445999 /nfs/dbraw/zinc/44/59/99/971445999.db2.gz SUXQJKHNAISISP-OLZOCXBDSA-N 0 1 229.364 2.302 20 0 BEADMN Fc1cnc(CN[C@H]2CCCSC2)c(F)c1 ZINC001257661625 971463634 /nfs/dbraw/zinc/46/36/34/971463634.db2.gz UOQLXRUCJASLKF-VIFPVBQESA-N 0 1 244.310 2.345 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000082791527 949026166 /nfs/dbraw/zinc/02/61/66/949026166.db2.gz VGYZFESRKNPQQP-UHFFFAOYSA-N 0 1 239.702 2.173 20 0 BEADMN CC[N@@H+](CCCCC(=O)[O-])CC1CCC1 ZINC000230322371 949679470 /nfs/dbraw/zinc/67/94/70/949679470.db2.gz UTELWUMCRJSPDP-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN [O-]c1cc(Cl)c(O[C@H]2CC[NH2+]C2)cc1Cl ZINC001218180025 971615607 /nfs/dbraw/zinc/61/56/07/971615607.db2.gz BABMZFXMPITFSY-LURJTMIESA-N 0 1 248.109 2.440 20 0 BEADMN Cc1cc([S-])ccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218237380 971647909 /nfs/dbraw/zinc/64/79/09/971647909.db2.gz VABZVFDBCIAJMK-JTQLQIEISA-N 0 1 245.294 2.270 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001329775921 971649614 /nfs/dbraw/zinc/64/96/14/971649614.db2.gz WOBKKHPTEQTMMI-NSHDSACASA-N 0 1 248.326 2.120 20 0 BEADMN OCc1cccc(Cl)c1Nc1ccncc1 ZINC001159105682 971682748 /nfs/dbraw/zinc/68/27/48/971682748.db2.gz ZDFVYKLKAFPUJI-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218292664 971689416 /nfs/dbraw/zinc/68/94/16/971689416.db2.gz ZRRKVMWRTNHAIT-BREBYQMCSA-N 0 1 249.358 2.259 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2n[nH]c3c2CNCC3)C[C@@H]1C ZINC001218295812 971695195 /nfs/dbraw/zinc/69/51/95/971695195.db2.gz OWRGLHKZMPQYOV-OUAUKWLOSA-N 0 1 249.358 2.259 20 0 BEADMN CN1CC[C@H](Oc2ccc(F)cc2F)C1 ZINC001225312959 974388712 /nfs/dbraw/zinc/38/87/12/974388712.db2.gz BMUWSOQTIGXFKN-VIFPVBQESA-N 0 1 213.227 2.048 20 0 BEADMN CC(C)[C@@H]1CC[C@@H]1NCc1csnn1 ZINC001330651839 974385143 /nfs/dbraw/zinc/38/51/43/974385143.db2.gz JMLDBELKSBFHPQ-UWVGGRQHSA-N 0 1 211.334 2.062 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000321189260 951012480 /nfs/dbraw/zinc/01/24/80/951012480.db2.gz FUTNOZOAYZPJPO-LLVKDONJSA-N 0 1 237.299 2.275 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N3CC4(C3)CCCO4)C[C@@H]21 ZINC001170747321 971716428 /nfs/dbraw/zinc/71/64/28/971716428.db2.gz RWOCLZWTNYBOAA-CNDDSTCGSA-N 0 1 221.344 2.286 20 0 BEADMN Cc1ncc2n1CCN([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747627 971717731 /nfs/dbraw/zinc/71/77/31/971717731.db2.gz UKRGCDUEFKMDPY-DEZZGGKRSA-N 0 1 245.370 2.442 20 0 BEADMN Cc1sccc1C[N@@H+](C)CCCC(=O)[O-] ZINC000379776287 951173201 /nfs/dbraw/zinc/17/32/01/951173201.db2.gz DBYAUIPORSPHNH-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1Oc1n[nH]c2c1CNCC2 ZINC001218352713 971724790 /nfs/dbraw/zinc/72/47/90/971724790.db2.gz KOGYIJVDXCBOPT-NXEZZACHSA-N 0 1 249.358 2.259 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])C1CC(C)(C)C1 ZINC000395458687 951467282 /nfs/dbraw/zinc/46/72/82/951467282.db2.gz NBYZVVUXUWBXBD-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCC=CNc1nnc(Cl)cc1OC ZINC001170763073 971748847 /nfs/dbraw/zinc/74/88/47/971748847.db2.gz APIFNONOWVNFSQ-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N3CCn4nccc4C3)C[C@@H]21 ZINC001170764359 971753724 /nfs/dbraw/zinc/75/37/24/971753724.db2.gz GXFXDUWCNQMZFX-XYYAHUGASA-N 0 1 231.343 2.133 20 0 BEADMN Cc1ccncc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397499129 951565320 /nfs/dbraw/zinc/56/53/20/951565320.db2.gz QBQPAGRLLMDQDS-NWDGAFQWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccncc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397499128 951566118 /nfs/dbraw/zinc/56/61/18/951566118.db2.gz QBQPAGRLLMDQDS-NEPJUHHUSA-N 0 1 248.326 2.075 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC000382505326 971819282 /nfs/dbraw/zinc/81/92/82/971819282.db2.gz VPNOGUCJJGMDFR-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)CCO[C@@H](C)CC ZINC001172326178 974536146 /nfs/dbraw/zinc/53/61/46/974536146.db2.gz AOENJAQDMDXYHH-STQMWFEESA-N 0 1 229.388 2.065 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H](C)CCO[C@@H](C)CC ZINC001172326178 974536154 /nfs/dbraw/zinc/53/61/54/974536154.db2.gz AOENJAQDMDXYHH-STQMWFEESA-N 0 1 229.388 2.065 20 0 BEADMN CN(Cc1ccncc1)[C@@H]1COC(C)(C)C1 ZINC001172284575 974548001 /nfs/dbraw/zinc/54/80/01/974548001.db2.gz VHUHGILOVKLRNM-LBPRGKRZSA-N 0 1 220.316 2.081 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000383590177 971878222 /nfs/dbraw/zinc/87/82/22/971878222.db2.gz CPYYUXJOOUYGOJ-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000383590176 971878262 /nfs/dbraw/zinc/87/82/62/971878262.db2.gz CPYYUXJOOUYGOJ-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@@H]1CCOC[C@@H]1C ZINC001170815943 971894523 /nfs/dbraw/zinc/89/45/23/971894523.db2.gz AGOGDVORTVUWGY-NWDGAFQWSA-N 0 1 249.358 2.293 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC=C(Cl)Cl ZINC000403345711 953367916 /nfs/dbraw/zinc/36/79/16/953367916.db2.gz VGPOGUFSGTYNCK-ZCFIWIBFSA-N 0 1 226.103 2.100 20 0 BEADMN C[C@@H]1COCC[C@@H]1Nc1ccc2nc[nH]c2c1 ZINC001170827327 971932180 /nfs/dbraw/zinc/93/21/80/971932180.db2.gz ZROCNJVKVYTOJV-KOLCDFICSA-N 0 1 231.299 2.400 20 0 BEADMN CN(Cc1cscn1)[C@@H]1CCCOCC1 ZINC001170830193 971945816 /nfs/dbraw/zinc/94/58/16/971945816.db2.gz ACJZKAQMSHEYQA-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(N)c1 ZINC001218827722 971948731 /nfs/dbraw/zinc/94/87/31/971948731.db2.gz WEQQUUQHLIYSKN-ZDUSSCGKSA-N 0 1 247.342 2.082 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1C[C@@H](OC)[C@@H](F)C1 ZINC001172339553 974605095 /nfs/dbraw/zinc/60/50/95/974605095.db2.gz OYDNUMJWVVUMGW-FVCCEPFGSA-N 0 1 247.354 2.249 20 0 BEADMN C[C@@H](N(C)c1cc(C(=O)[O-])cc[nH+]1)C1(C)CC1 ZINC000385215342 971987783 /nfs/dbraw/zinc/98/77/83/971987783.db2.gz BWNUQILXMFNSMO-SECBINFHSA-N 0 1 234.299 2.405 20 0 BEADMN CCC=CNc1ncc(OC(F)F)cn1 ZINC001159668436 972010431 /nfs/dbraw/zinc/01/04/31/972010431.db2.gz TYHYUHSFGMPDSS-ONEGZZNKSA-N 0 1 215.203 2.414 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N(C)[C@H](C)C(=O)OC ZINC001172342886 974613094 /nfs/dbraw/zinc/61/30/94/974613094.db2.gz OOVVFSBNNQCHGT-SDDRHHMPSA-N 0 1 245.363 2.073 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693325056 954731331 /nfs/dbraw/zinc/73/13/31/954731331.db2.gz OOZIHWBOHUSLJA-JXUBOQSCSA-N 0 1 247.285 2.073 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693325061 954731501 /nfs/dbraw/zinc/73/15/01/954731501.db2.gz OOZIHWBOHUSLJA-UTINFBMNSA-N 0 1 247.285 2.073 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1CCOCC12CC2 ZINC001172350892 974622071 /nfs/dbraw/zinc/62/20/71/974622071.db2.gz ZYUCNKPNZOHERS-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2nnc[nH]2)C1 ZINC001329895290 972090723 /nfs/dbraw/zinc/09/07/23/972090723.db2.gz ORFNCQZWFDFLSI-YPMHNXCESA-N 0 1 242.326 2.388 20 0 BEADMN CCOc1ccccc1Cn1[nH]c(C)cc1=O ZINC001245928170 972100251 /nfs/dbraw/zinc/10/02/51/972100251.db2.gz PHDORHMBPHWPIM-UHFFFAOYSA-N 0 1 232.283 2.344 20 0 BEADMN COc1ccc(-n2[nH]c(CC(C)C)cc2=O)cn1 ZINC001245933553 972103713 /nfs/dbraw/zinc/10/37/13/972103713.db2.gz VUJREDWAHCUGFH-UHFFFAOYSA-N 0 1 247.298 2.180 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1Cc1cccnc1 ZINC001245936306 972104361 /nfs/dbraw/zinc/10/43/61/972104361.db2.gz HOCPCJIWDGRMKM-UHFFFAOYSA-N 0 1 243.310 2.375 20 0 BEADMN NCc1nccn1[C@H]1CCc2cccc(F)c2C1 ZINC001170948142 972135172 /nfs/dbraw/zinc/13/51/72/972135172.db2.gz DGDUJYBZMKNSHZ-NSHDSACASA-N 0 1 245.301 2.211 20 0 BEADMN COc1nc(C=CC(C)(C)C)nc2[nH]cnc21 ZINC001241562456 1169728576 /nfs/dbraw/zinc/72/85/76/1169728576.db2.gz HZJXLWSNSDNLTK-AATRIKPKSA-N 0 1 232.287 2.421 20 0 BEADMN Cc1c(F)nccc1C1=CCCN(C)C1 ZINC001241571444 1169733145 /nfs/dbraw/zinc/73/31/45/1169733145.db2.gz ZHLDVEOTMCXFAQ-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCCNC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001220240522 972195197 /nfs/dbraw/zinc/19/51/97/972195197.db2.gz MJXHAGQDFMJXLN-UHFFFAOYSA-N 0 1 237.690 2.356 20 0 BEADMN CNc1ccnc(-c2cc(F)c(O)cc2F)n1 ZINC001206761932 956932949 /nfs/dbraw/zinc/93/29/49/956932949.db2.gz PMPKRRONJMCOMC-UHFFFAOYSA-N 0 1 237.209 2.169 20 0 BEADMN COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cn1 ZINC000085787772 956946410 /nfs/dbraw/zinc/94/64/10/956946410.db2.gz HBMPIUQQECFNSN-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN CCN(C1COC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004208 972231597 /nfs/dbraw/zinc/23/15/97/972231597.db2.gz ZMUNEWBNGUWSLG-GFCCVEGCSA-N 0 1 249.329 2.404 20 0 BEADMN CN(C1COC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171001801 972231652 /nfs/dbraw/zinc/23/16/52/972231652.db2.gz RGPYNXDJEFVODM-LLVKDONJSA-N 0 1 235.302 2.014 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)NCC2 ZINC001213148319 957039532 /nfs/dbraw/zinc/03/95/32/957039532.db2.gz XIXUCBAHBJNDOC-UHFFFAOYSA-N 0 1 214.272 2.132 20 0 BEADMN Cc1nsc(Nc2cc(C)cnc2F)n1 ZINC001211493780 957046576 /nfs/dbraw/zinc/04/65/76/957046576.db2.gz MWTXEVPOFPOFAJ-UHFFFAOYSA-N 0 1 224.264 2.433 20 0 BEADMN CC1(C)CN(C[C@H]2COC3(CCCCC3)O2)C1 ZINC001208636003 957111474 /nfs/dbraw/zinc/11/14/74/957111474.db2.gz JNIICBWKOGOCAY-LBPRGKRZSA-N 0 1 239.359 2.404 20 0 BEADMN CC(C)c1cc(N=C2CCN(C)CC2)on1 ZINC001208719014 957134988 /nfs/dbraw/zinc/13/49/88/957134988.db2.gz NWXHHCYPJWMWLK-UHFFFAOYSA-N 0 1 221.304 2.429 20 0 BEADMN CN(Cc1ccoc1)C(=O)c1cccc(F)c1O ZINC001125300908 957146512 /nfs/dbraw/zinc/14/65/12/957146512.db2.gz JMIITTGKWOACOG-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN Cc1cnc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1C ZINC001167080713 957151577 /nfs/dbraw/zinc/15/15/77/957151577.db2.gz CMMOXEABYHSQRI-LVEBTZEWSA-N 0 1 244.338 2.312 20 0 BEADMN CC(C)CCCN1CCn2nccc2C1 ZINC001208737274 957154181 /nfs/dbraw/zinc/15/41/81/957154181.db2.gz LEMJENHBLWWBNW-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN c1cnnc(CN2CCC(OC3CCC3)CC2)c1 ZINC001139970279 957174473 /nfs/dbraw/zinc/17/44/73/957174473.db2.gz QXZHPISMGFWKBD-UHFFFAOYSA-N 0 1 247.342 2.010 20 0 BEADMN CCC(=O)C(C)(C)CN1CCCC[C@@H]1C(C)=O ZINC001208920361 957242438 /nfs/dbraw/zinc/24/24/38/957242438.db2.gz CCMDDLQYTDFFIL-GFCCVEGCSA-N 0 1 239.359 2.435 20 0 BEADMN C[C@@H](SCC[C@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000037414891 957281800 /nfs/dbraw/zinc/28/18/00/957281800.db2.gz DUMJRPOFQQZHJI-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN COCCCN1CCCC(F)(F)[C@H](F)C1 ZINC001209049095 957299956 /nfs/dbraw/zinc/29/99/56/957299956.db2.gz ZNVBPUDIHCKTNE-SECBINFHSA-N 0 1 225.254 2.092 20 0 BEADMN COCCCN(C)Cc1cn2ccc(C)cc2n1 ZINC001209055934 957308553 /nfs/dbraw/zinc/30/85/53/957308553.db2.gz JQHUZOAMZMEWQZ-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CCCCN(CCCCOC)CC(=O)OCC ZINC001209219107 957366571 /nfs/dbraw/zinc/36/65/71/957366571.db2.gz FUZZVSOGRPXLMB-UHFFFAOYSA-N 0 1 245.363 2.078 20 0 BEADMN Clc1cccc2nc(N=C3CCOC3)cn21 ZINC001203386908 957397893 /nfs/dbraw/zinc/39/78/93/957397893.db2.gz RFSKAJHAIBCCAK-UHFFFAOYSA-N 0 1 235.674 2.314 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccncc1 ZINC000051330395 957503301 /nfs/dbraw/zinc/50/33/01/957503301.db2.gz VXZVXIHNXLPNCP-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccncc1 ZINC000051330395 957503306 /nfs/dbraw/zinc/50/33/06/957503306.db2.gz VXZVXIHNXLPNCP-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CCN(CC(C)(C)O)c1ccc(C)c(C)n1 ZINC001167160114 957504776 /nfs/dbraw/zinc/50/47/76/957504776.db2.gz NNIBTNNQXBRPLJ-UHFFFAOYSA-N 0 1 222.332 2.296 20 0 BEADMN CSC[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000390224312 972270769 /nfs/dbraw/zinc/27/07/69/972270769.db2.gz ALDDYPKPBUXZDQ-LLVKDONJSA-N 0 1 245.388 2.316 20 0 BEADMN Cc1ccc(N2C[C@H]3OC[C@@H](C)[C@H]3C2)nc1C ZINC001167169635 957517183 /nfs/dbraw/zinc/51/71/83/957517183.db2.gz FYWWMSZXCBONRB-RAIGVLPGSA-N 0 1 232.327 2.170 20 0 BEADMN COc1cccc(F)c1N=C1CCOC1 ZINC001203390837 957537307 /nfs/dbraw/zinc/53/73/07/957537307.db2.gz JWOHVRWHSQNOMS-UHFFFAOYSA-N 0 1 209.220 2.160 20 0 BEADMN Cc1cc(C)nc(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001167211117 957546079 /nfs/dbraw/zinc/54/60/79/957546079.db2.gz BKZXTYHRBZWHKG-OLZOCXBDSA-N 0 1 232.327 2.314 20 0 BEADMN Cc1ccc(N2CC[C@@H]3OCC[C@@H]3C2)nc1C ZINC001167217404 957551604 /nfs/dbraw/zinc/55/16/04/957551604.db2.gz YJQJQOKSUVUGMV-OLZOCXBDSA-N 0 1 232.327 2.314 20 0 BEADMN Cc1cnc(N2CC[C@H]3OCC[C@H]3C2)cc1C ZINC001167218960 957551671 /nfs/dbraw/zinc/55/16/71/957551671.db2.gz UOSBGTQLLNZRPF-QWHCGFSZSA-N 0 1 232.327 2.314 20 0 BEADMN COC[C@@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC000397268106 957565479 /nfs/dbraw/zinc/56/54/79/957565479.db2.gz LOXMULOOARUGKY-CYBMUJFWSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1ccnc(Nc2cnc(N)cc2C)c1 ZINC001209961122 957581926 /nfs/dbraw/zinc/58/19/26/957581926.db2.gz CXCQTIDGIYXYQE-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1nc2ccc(F)cn2c1Nc1ccnnc1 ZINC001209959310 957582820 /nfs/dbraw/zinc/58/28/20/957582820.db2.gz PHQAOZDBOAWOPZ-UHFFFAOYSA-N 0 1 243.245 2.315 20 0 BEADMN COC(=O)c1ccc(Nc2cnc(N)cc2C)o1 ZINC001209964934 957588014 /nfs/dbraw/zinc/58/80/14/957588014.db2.gz IFLTVWLMDFRUPB-UHFFFAOYSA-N 0 1 247.254 2.095 20 0 BEADMN Cc1cnc(NCc2cncnc2)c2[nH]ccc21 ZINC001167256714 957594440 /nfs/dbraw/zinc/59/44/40/957594440.db2.gz XSIVUBCYPUOGII-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CC(C)Oc1ccc(-n2cncc2N)cc1F ZINC001209996559 957601900 /nfs/dbraw/zinc/60/19/00/957601900.db2.gz BUBDTRNRNKGDNR-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN CCCCOC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000175802046 957640471 /nfs/dbraw/zinc/64/04/71/957640471.db2.gz VRBUZLVCBWITIK-CHWSQXEVSA-N 0 1 239.359 2.452 20 0 BEADMN c1cc2c(c(CNCc3ccncc3)c1)OCC2 ZINC000693127942 957690212 /nfs/dbraw/zinc/69/02/12/957690212.db2.gz OJKMWLJJGOGIHR-UHFFFAOYSA-N 0 1 240.306 2.306 20 0 BEADMN c1ncc(CN2CCOC[C@H]2C2CCCCC2)[nH]1 ZINC001136873008 972284335 /nfs/dbraw/zinc/28/43/35/972284335.db2.gz GJZKLKYBVPHJJQ-AWEZNQCLSA-N 0 1 249.358 2.191 20 0 BEADMN CC1(C)CCC2(CCN(Cc3c[nH]cn3)CC2)O1 ZINC001136873023 972284464 /nfs/dbraw/zinc/28/44/64/972284464.db2.gz GRJDJEFKAWJLKP-UHFFFAOYSA-N 0 1 249.358 2.333 20 0 BEADMN c1coc(CN(Cc2cnc[nH]2)C2CC2)c1 ZINC001136871907 972292707 /nfs/dbraw/zinc/29/27/07/972292707.db2.gz SEINFPCJBLOWIL-UHFFFAOYSA-N 0 1 217.272 2.167 20 0 BEADMN COc1ncc(Cl)cc1Nc1ccncc1 ZINC001210448896 957751722 /nfs/dbraw/zinc/75/17/22/957751722.db2.gz BZJSIPDICLNZSI-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN CC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1 ZINC000147722857 957760550 /nfs/dbraw/zinc/76/05/50/957760550.db2.gz CBGLYCIOTDMSFI-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(Cc1nnc[nH]1)[C@@H](C)c1cccc(O)c1 ZINC001347105681 957774802 /nfs/dbraw/zinc/77/48/02/957774802.db2.gz ZRSNWVLJXGSJDT-JTQLQIEISA-N 0 1 246.314 2.093 20 0 BEADMN Cc1cc2cc[nH]c2c(NC2CC(=O)C2)n1 ZINC001167336341 957791072 /nfs/dbraw/zinc/79/10/72/957791072.db2.gz ZPZQJYBXOOASDH-UHFFFAOYSA-N 0 1 215.256 2.015 20 0 BEADMN CCN(CC)Cc1cncc(NC2CC(=O)C2)c1 ZINC001167344279 957819647 /nfs/dbraw/zinc/81/96/47/957819647.db2.gz CQPTWZHSGNRJLQ-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN CC(C)CCCCNC(=O)[C@@H]1CCCCN1C ZINC001136898628 972295770 /nfs/dbraw/zinc/29/57/70/972295770.db2.gz QWWLSUUKINSVBF-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000084078777 957852979 /nfs/dbraw/zinc/85/29/79/957852979.db2.gz NPZSFLKVKJNDNE-AWEZNQCLSA-N 0 1 247.338 2.252 20 0 BEADMN Cc1cccn2c(C[N@@H+]3CC[C@@H]3C)cnc12 ZINC001136958555 972305720 /nfs/dbraw/zinc/30/57/20/972305720.db2.gz VILDMQNOZQCGEO-NSHDSACASA-N 0 1 215.300 2.237 20 0 BEADMN Cc1cccn2c(CN3CC[C@@H]3C)cnc12 ZINC001136958555 972305726 /nfs/dbraw/zinc/30/57/26/972305726.db2.gz VILDMQNOZQCGEO-NSHDSACASA-N 0 1 215.300 2.237 20 0 BEADMN Cc1ccc2c(CN3CC(C)(CO)C3)c[nH]c2c1 ZINC001136969440 972306042 /nfs/dbraw/zinc/30/60/42/972306042.db2.gz PFTFDWQAPDRXMQ-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN CC=C(C)Nc1ncccc1N1CCN(C)CC1 ZINC001210792393 957883220 /nfs/dbraw/zinc/88/32/20/957883220.db2.gz DDCZPUHYXMTHCX-UUILKARUSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H](C)C2(C)CC2)cc1 ZINC000706517771 957935277 /nfs/dbraw/zinc/93/52/77/957935277.db2.gz GBQXAPQGQSDHOW-AAEUAGOBSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H](C)C2(C)CC2)cc1 ZINC000706517783 957938096 /nfs/dbraw/zinc/93/80/96/957938096.db2.gz GBQXAPQGQSDHOW-YPMHNXCESA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc2c(CN3C[C@@H]4C[C@H]3CO4)c[nH]c2c1 ZINC001136974693 972307338 /nfs/dbraw/zinc/30/73/38/972307338.db2.gz JAXGSOPYBRRDQJ-STQMWFEESA-N 0 1 242.322 2.449 20 0 BEADMN CN1CCC[C@H](N[C@H]2CCCCC2(F)F)C1 ZINC000398011856 957972612 /nfs/dbraw/zinc/97/26/12/957972612.db2.gz DHKPHIUIAGPDDM-QWRGUYRKSA-N 0 1 232.318 2.248 20 0 BEADMN c1csc(Nc2ccnn2-c2ccncc2)n1 ZINC001210991993 957980913 /nfs/dbraw/zinc/98/09/13/957980913.db2.gz ZUGUEMBDTXWYMV-UHFFFAOYSA-N 0 1 243.295 2.467 20 0 BEADMN C[C@H](C1CC1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616157 958022751 /nfs/dbraw/zinc/02/27/51/958022751.db2.gz UVCXLBKDKWNGIO-QMTHXVAHSA-N 0 1 245.322 2.469 20 0 BEADMN CCN1CCN(Cc2cc(C)c(C)o2)C[C@H]1C ZINC001204542038 958049209 /nfs/dbraw/zinc/04/92/09/958049209.db2.gz RFCVRJQEIDHOBM-GFCCVEGCSA-N 0 1 236.359 2.422 20 0 BEADMN Cn1cncc1Nc1ccnn1-c1ccccc1 ZINC001211246682 958102615 /nfs/dbraw/zinc/10/26/15/958102615.db2.gz LCFQZBWBOBAVGB-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN COC(=O)c1ccsc1Nc1cncn1C ZINC001211245555 958103591 /nfs/dbraw/zinc/10/35/91/958103591.db2.gz OYIZVPZYQGUQDN-UHFFFAOYSA-N 0 1 237.284 2.012 20 0 BEADMN Cn1cncc1Nc1ccnn1C1CCC1 ZINC001211248034 958107440 /nfs/dbraw/zinc/10/74/40/958107440.db2.gz GVZFDALGJZLFFL-UHFFFAOYSA-N 0 1 217.276 2.085 20 0 BEADMN Cc1ccc(C)c(Nc2cncn2C)n1 ZINC001211246925 958107946 /nfs/dbraw/zinc/10/79/46/958107946.db2.gz YJFQDDSDVHRVKM-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN CCOC(=O)c1ccccc1Nc1cncn1C ZINC001211250365 958113499 /nfs/dbraw/zinc/11/34/99/958113499.db2.gz IVPIZHUZSQMPPT-UHFFFAOYSA-N 0 1 245.282 2.340 20 0 BEADMN Cn1cncc1Nc1cnc2occc2c1 ZINC001211248078 958115675 /nfs/dbraw/zinc/11/56/75/958115675.db2.gz IRVCRMAKZQMILN-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN Cn1cncc1Nc1cc(Cl)ccc1CO ZINC001211251521 958121379 /nfs/dbraw/zinc/12/13/79/958121379.db2.gz INEDUJCUTJMUBJ-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN C[C@@H]1CN(Cc2nccs2)CCC[C@]1(C)O ZINC001204545074 958123452 /nfs/dbraw/zinc/12/34/52/958123452.db2.gz MTVQMHBIHVMTCJ-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN COc1cnccc1Nc1ccsc1 ZINC001211258090 958123551 /nfs/dbraw/zinc/12/35/51/958123551.db2.gz XDESPFNAGXCJFR-UHFFFAOYSA-N 0 1 206.270 2.317 20 0 BEADMN Cc1cc(C)cc(CNCc2cnccn2)c1 ZINC000693274250 958159059 /nfs/dbraw/zinc/15/90/59/958159059.db2.gz RMPKTFRACMTEPB-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Oc1cc(F)c(-c2cnc(F)cn2)cc1F ZINC001211351677 958169002 /nfs/dbraw/zinc/16/90/02/958169002.db2.gz AQWIZLFMBBNDRJ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN FC(F)(F)c1c[nH]c(CN2CC3CC(C3)C2)n1 ZINC001137018701 972326883 /nfs/dbraw/zinc/32/68/83/972326883.db2.gz BCGNKGHVKPLTAE-UHFFFAOYSA-N 0 1 245.248 2.270 20 0 BEADMN C[C@@H]1C[C@H](NCCOC2CCC2)c2nccn21 ZINC000690706119 958209619 /nfs/dbraw/zinc/20/96/19/958209619.db2.gz UROXKDTWVMKHNN-PWSUYJOCSA-N 0 1 235.331 2.048 20 0 BEADMN FC(F)(F)c1cnc(CN2C[C@H]3CC[C@@H]2C3)[nH]1 ZINC001137017532 972329075 /nfs/dbraw/zinc/32/90/75/972329075.db2.gz MQLUBNPXIJDJLI-JGVFFNPUSA-N 0 1 245.248 2.413 20 0 BEADMN COc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cn1 ZINC001137037499 972335472 /nfs/dbraw/zinc/33/54/72/972335472.db2.gz CYEFUWQVHOCCSV-SRVKXCTJSA-N 0 1 236.290 2.023 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762271 958307050 /nfs/dbraw/zinc/30/70/50/958307050.db2.gz VKAZRSOUDRDNEE-LBPRGKRZSA-N 0 1 234.299 2.154 20 0 BEADMN CC1(F)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC001137040950 972341508 /nfs/dbraw/zinc/34/15/08/972341508.db2.gz BGFNICNSZKDBEE-UHFFFAOYSA-N 0 1 219.263 2.107 20 0 BEADMN C[C@H](CN1CC[C@]12CCOC2)C(F)(F)F ZINC000421013658 972357878 /nfs/dbraw/zinc/35/78/78/972357878.db2.gz GGYHIFLVRNJKTQ-RKDXNWHRSA-N 0 1 223.238 2.050 20 0 BEADMN C[C@H]1C[C@H](C)N(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000123851184 958508942 /nfs/dbraw/zinc/50/89/42/958508942.db2.gz NQGDIRKLUHTNED-IUCAKERBSA-N 0 1 220.272 2.015 20 0 BEADMN Cc1[nH+]c(NCc2ccco2)ccc1C(=O)[O-] ZINC000124128678 958519270 /nfs/dbraw/zinc/51/92/70/958519270.db2.gz FWZLNYCCYJULPH-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1[nH+]c(NCc2ccncc2)ccc1C(=O)[O-] ZINC000124157560 958520748 /nfs/dbraw/zinc/52/07/48/958520748.db2.gz VXSJRMJKIYOFGV-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3ccncc3)c(=O)c2C1 ZINC001330066537 972355704 /nfs/dbraw/zinc/35/57/04/972355704.db2.gz DBZDPVSNMSCOPG-JQWIXIFHSA-N 0 1 243.310 2.216 20 0 BEADMN CC(C)OC1CCC(N2CCC(=O)CC2)CC1 ZINC000707468273 958542747 /nfs/dbraw/zinc/54/27/47/958542747.db2.gz FPZIHANPSYTADZ-UHFFFAOYSA-N 0 1 239.359 2.388 20 0 BEADMN CC[N@H+]1CC[C@@H](OCC(=O)c2cccs2)C1 ZINC001222082560 972360436 /nfs/dbraw/zinc/36/04/36/972360436.db2.gz TZORSNGUNKLXIR-SNVBAGLBSA-N 0 1 239.340 2.042 20 0 BEADMN Cc1cncc(-c2noc(CNCC(C)C)n2)c1 ZINC001327005528 972361415 /nfs/dbraw/zinc/36/14/15/972361415.db2.gz QVVJJNKQVBHYDI-UHFFFAOYSA-N 0 1 246.314 2.186 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000132546414 958789404 /nfs/dbraw/zinc/78/94/04/958789404.db2.gz GNCCDJMPPQTXMS-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC[C@H](C)C2)n1 ZINC000707915442 958810387 /nfs/dbraw/zinc/81/03/87/958810387.db2.gz ILLIOZCNHQEUHG-CMPLNLGQSA-N 0 1 219.332 2.453 20 0 BEADMN COC(=O)c1ccc(NC2=CCCOC2)s1 ZINC001216504652 959001027 /nfs/dbraw/zinc/00/10/27/959001027.db2.gz JQTMDMRRZVQCRH-UHFFFAOYSA-N 0 1 239.296 2.251 20 0 BEADMN CCCOC1CN(C[C@H]2CCOC(C)(C)C2)C1 ZINC001207361239 959248208 /nfs/dbraw/zinc/24/82/08/959248208.db2.gz QMROAFYMINOLDZ-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN O=C(NCc1ccccc1)c1cccc(F)c1O ZINC000307695569 959306791 /nfs/dbraw/zinc/30/67/91/959306791.db2.gz FNYOWSQQFLFOSI-UHFFFAOYSA-N 0 1 245.253 2.461 20 0 BEADMN CC(C)=C[C@H]1[C@H](C(=O)OCc2nnc[nH]2)C1(C)C ZINC001327114560 972418522 /nfs/dbraw/zinc/41/85/22/972418522.db2.gz DIPYWMUBVBIFHJ-GXSJLCMTSA-N 0 1 249.314 2.086 20 0 BEADMN CCOC(=O)c1ccccc1Nc1nccn1C ZINC001213170745 959338437 /nfs/dbraw/zinc/33/84/37/959338437.db2.gz OPXASTGIQIDAKV-UHFFFAOYSA-N 0 1 245.282 2.340 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2(CC)CC2)n[nH]1 ZINC001327129428 972428961 /nfs/dbraw/zinc/42/89/61/972428961.db2.gz PMLQKMIUZNSJFT-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN CCCCCC(C)(C)C(=O)OCc1nnc[nH]1 ZINC001327130465 972429624 /nfs/dbraw/zinc/42/96/24/972429624.db2.gz SKCDGPZMIZQVKE-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000724775715 959446127 /nfs/dbraw/zinc/44/61/27/959446127.db2.gz DNFMFIDXPVVDLD-SECBINFHSA-N 0 1 233.237 2.102 20 0 BEADMN O=C([O-])c1cncc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000721565293 959500145 /nfs/dbraw/zinc/50/01/45/959500145.db2.gz IEQPVWVLMMUJQR-AAEUAGOBSA-N 0 1 246.310 2.154 20 0 BEADMN COc1ccccc1CCOC1CN(C(C)C)C1 ZINC001222292338 972436364 /nfs/dbraw/zinc/43/63/64/972436364.db2.gz WPZJLRQALJFVIT-UHFFFAOYSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccc([C@H](C)N(C)Cc2c[nH]nn2)cc1 ZINC001203207668 959727306 /nfs/dbraw/zinc/72/73/06/959727306.db2.gz NPTSZEUNTVGUGR-JTQLQIEISA-N 0 1 246.314 2.006 20 0 BEADMN C/C(=C/C(=O)[O-])Cn1cc[nH+]c1C(C)C ZINC000215622547 959755843 /nfs/dbraw/zinc/75/58/43/959755843.db2.gz RYCZVQKDDXBONU-TWGQIWQCSA-N 0 1 208.261 2.037 20 0 BEADMN C[C@@H]([NH2+]Cc1ccoc1C(=O)[O-])c1ccccn1 ZINC000226231030 959871454 /nfs/dbraw/zinc/87/14/54/959871454.db2.gz BRBRMGYXGDZGDW-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN C[C@H]1CC(=O)CCN1Cc1c[nH]c2ccncc12 ZINC001140802388 959886078 /nfs/dbraw/zinc/88/60/78/959886078.db2.gz UKHOODVLMPQBHM-JTQLQIEISA-N 0 1 243.310 2.116 20 0 BEADMN CCCC(=O)c1ccc([O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218183157 959887898 /nfs/dbraw/zinc/88/78/98/959887898.db2.gz LPGGRRSXOUOIHO-NSHDSACASA-N 0 1 249.310 2.116 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cn1 ZINC000228887429 960044631 /nfs/dbraw/zinc/04/46/31/960044631.db2.gz UTEMTMRBYRHXPT-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN c1ncc(CN2CC[C@@H](Oc3ccccc3)C2)o1 ZINC001140932081 960099753 /nfs/dbraw/zinc/09/97/53/960099753.db2.gz ZRVGNRGOANKGCG-CYBMUJFWSA-N 0 1 244.294 2.328 20 0 BEADMN Cc1ccc2nc(OC[C@H]3C[C@@H](O)C3)[nH]c2c1 ZINC001218431911 960103825 /nfs/dbraw/zinc/10/38/25/960103825.db2.gz QFAAHOGGZQMFGI-AOOOYVTPSA-N 0 1 232.283 2.021 20 0 BEADMN C/C(=C\C[N@H+]1CCSC(C)(C)CC1)C(=O)[O-] ZINC000231054424 960185156 /nfs/dbraw/zinc/18/51/56/960185156.db2.gz HUQQWEVUOOAKHD-ONNFQVAWSA-N 0 1 243.372 2.235 20 0 BEADMN CC/C(C)=C/C(=O)N(C)CCCN(C)CCF ZINC001327201632 972498908 /nfs/dbraw/zinc/49/89/08/972498908.db2.gz SACVDPGVZBYBTA-VAWYXSNFSA-N 0 1 244.354 2.093 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000233925268 960333175 /nfs/dbraw/zinc/33/31/75/960333175.db2.gz LZPVDSQSHBAJII-LLVKDONJSA-N 0 1 234.299 2.154 20 0 BEADMN C[N@@H+](Cc1cccc(C(=O)[O-])n1)CC(C)(C)C ZINC000234304923 960348462 /nfs/dbraw/zinc/34/84/62/960348462.db2.gz PLKVIINHARMAII-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN CCN(Cc1cc(F)ccc1C)C1CN(C)C1 ZINC001140592612 960450758 /nfs/dbraw/zinc/45/07/58/960450758.db2.gz TXFUPHVJMZAPMQ-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN c1cc2ccncc2c(CN2CC3(COC3)C2)c1 ZINC001140640735 960469508 /nfs/dbraw/zinc/46/95/08/960469508.db2.gz RNAXBNVWSQLBMX-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN CCOC(=O)c1ccc(CN2CCCC23CC3)[nH]1 ZINC001140684259 960499937 /nfs/dbraw/zinc/49/99/37/960499937.db2.gz IVHQUMFTKFMEII-UHFFFAOYSA-N 0 1 248.326 2.320 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001140777938 960563833 /nfs/dbraw/zinc/56/38/33/960563833.db2.gz PQJIAOLAKXIHMU-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN CC(C)Cc1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001245932211 1169779873 /nfs/dbraw/zinc/77/98/73/1169779873.db2.gz JWTYMZMKFQDPGO-UHFFFAOYSA-N 0 1 231.299 2.231 20 0 BEADMN F[C@@H]1CN(Cc2c[nH]c3ccncc23)C[C@H]1F ZINC001140801896 960596369 /nfs/dbraw/zinc/59/63/69/960596369.db2.gz KBRMSATURZQFLQ-GHMZBOCLSA-N 0 1 237.253 2.055 20 0 BEADMN COC(OC)[C@H](C)NCc1ccc(C)cc1F ZINC000686494069 960597902 /nfs/dbraw/zinc/59/79/02/960597902.db2.gz JSGHNAJFGCUSPW-JTQLQIEISA-N 0 1 241.306 2.231 20 0 BEADMN Cc1cc(CN2CC[C@H](C)C(F)(F)C2)n[nH]1 ZINC001203070439 960627748 /nfs/dbraw/zinc/62/77/48/960627748.db2.gz TWLJHXMLRDOJHD-QMMMGPOBSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@H]32)n[nH]1 ZINC001203070363 960628419 /nfs/dbraw/zinc/62/84/19/960628419.db2.gz QHWHZMTZSFRLQA-QWHCGFSZSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1c[nH]c(CN2CCOC[C@@H]2C(C)C)c1C ZINC001140862885 960647830 /nfs/dbraw/zinc/64/78/30/960647830.db2.gz PXFGQCSMJUFROD-CQSZACIVSA-N 0 1 236.359 2.488 20 0 BEADMN Cc1cc(CN2CCC[C@@H](C(F)F)C2)n[nH]1 ZINC001203077437 960683793 /nfs/dbraw/zinc/68/37/93/960683793.db2.gz YGHSWPHTQCPBSQ-SECBINFHSA-N 0 1 229.274 2.195 20 0 BEADMN CCCOC1CCN(Cc2cnco2)CC1 ZINC001140931290 960686573 /nfs/dbraw/zinc/68/65/73/960686573.db2.gz CZUAOYQNJMTHOF-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN CN(C)Cc1cnccc1C(F)(F)F ZINC001140913788 960687523 /nfs/dbraw/zinc/68/75/23/960687523.db2.gz BSUHDLXBBLNSOX-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN Oc1cccc2ccc(CN3CC=CC3)nc12 ZINC001141019852 960819618 /nfs/dbraw/zinc/81/96/18/960819618.db2.gz QSTMHMKVSTVDJK-UHFFFAOYSA-N 0 1 226.279 2.312 20 0 BEADMN F[C@H]1CN(Cc2ccn3ccnc3c2)C[C@@H]2C[C@@H]21 ZINC001141046962 960834765 /nfs/dbraw/zinc/83/47/65/960834765.db2.gz BBJOXZXHGDVKEX-AVGNSLFASA-N 0 1 245.301 2.124 20 0 BEADMN Cc1ncoc1CN1CCC(n2cccn2)CC1 ZINC001141053435 960846457 /nfs/dbraw/zinc/84/64/57/960846457.db2.gz GIAJWUACILLZBO-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC(=O)CN1CCSC[C@@H]1C(C)(C)C ZINC000931592466 960881669 /nfs/dbraw/zinc/88/16/69/960881669.db2.gz LQNYKUMHVHMTHT-SNVBAGLBSA-N 0 1 215.362 2.039 20 0 BEADMN c1ncc(COC2Cc3ccccc3C2)[nH]1 ZINC001223001887 960895721 /nfs/dbraw/zinc/89/57/21/960895721.db2.gz NRNAGAOUWCFWLT-UHFFFAOYSA-N 0 1 214.268 2.094 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)C[C@@H]2C)c(F)c1 ZINC001141196665 960941436 /nfs/dbraw/zinc/94/14/36/960941436.db2.gz SRLQYHRYNWXXBS-AAEUAGOBSA-N 0 1 237.318 2.479 20 0 BEADMN CCc1ccccc1CN1C[C@@H](OC)[C@@H](F)C1 ZINC001141224266 960957044 /nfs/dbraw/zinc/95/70/44/960957044.db2.gz LYJBRLJUJQSOIL-UONOGXRCSA-N 0 1 237.318 2.418 20 0 BEADMN C(O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nn[nH]n1 ZINC001223027481 960958795 /nfs/dbraw/zinc/95/87/95/960958795.db2.gz POCBWXHPMBETOZ-HBNTYKKESA-N 0 1 236.319 2.075 20 0 BEADMN CN(Cc1cn2c(n1)COCC2)CC1CCCC1 ZINC001141537321 961108570 /nfs/dbraw/zinc/10/85/70/961108570.db2.gz PSLLIZAOPIOBLY-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN CCO[C@H]1C[C@H](N(C)CC(C)=O)C1(CC)CC ZINC001167820631 961121412 /nfs/dbraw/zinc/12/14/12/961121412.db2.gz VDDCHJKKZIXLEV-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC001141579836 961122661 /nfs/dbraw/zinc/12/26/61/961122661.db2.gz SMRGGEFJNMNXFF-ZYHUDNBSSA-N 0 1 249.358 2.346 20 0 BEADMN COCCN(C)Cc1ccc2cc(F)ccc2n1 ZINC001141637103 961131722 /nfs/dbraw/zinc/13/17/22/961131722.db2.gz OLBNDBZGWLZNQL-UHFFFAOYSA-N 0 1 248.301 2.452 20 0 BEADMN C[C@@H]1CCN1Cc1cccc2c1OCO2 ZINC001141949923 961189909 /nfs/dbraw/zinc/18/99/09/961189909.db2.gz JOPHWFIKFZUKHN-SECBINFHSA-N 0 1 205.257 2.010 20 0 BEADMN N=CNc1cccc2c1OC(F)(F)O2 ZINC001167867877 961360677 /nfs/dbraw/zinc/36/06/77/961360677.db2.gz BCVUXAWJHQHFRA-UHFFFAOYSA-N 0 1 200.144 2.027 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142235343 961362107 /nfs/dbraw/zinc/36/21/07/961362107.db2.gz SQCIDWNDGFRYSC-NSHDSACASA-N 0 1 249.358 2.118 20 0 BEADMN CC(C)CC[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC000260236236 961378721 /nfs/dbraw/zinc/37/87/21/961378721.db2.gz VXGCXXNDXHYCCK-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN CCOC(CN[C@H](C)c1cncs1)OCC ZINC000229131085 961412568 /nfs/dbraw/zinc/41/25/68/961412568.db2.gz ODRPESRUOTXSNH-SECBINFHSA-N 0 1 244.360 2.193 20 0 BEADMN CCN(Cc1cnc(Cl)nc1NC)C(C)C ZINC001142473514 961446149 /nfs/dbraw/zinc/44/61/49/961446149.db2.gz NFPSJRXQESUEOG-UHFFFAOYSA-N 0 1 242.754 2.402 20 0 BEADMN CCOCCC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001142519214 961473443 /nfs/dbraw/zinc/47/34/43/961473443.db2.gz WADBPNARJOUUEP-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H]3C[C@H]3C1)C(=O)N2 ZINC001167891303 961493773 /nfs/dbraw/zinc/49/37/73/961493773.db2.gz MBCXZAQKLQCNGG-YAMSLAJTSA-N 0 1 242.322 2.376 20 0 BEADMN CC/C=C(\C)C(=O)NC1CN(CCC(C)C)C1 ZINC001268257596 961500877 /nfs/dbraw/zinc/50/08/77/961500877.db2.gz OLWZPBGNOCUYHK-WUXMJOGZSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]cnc32)C[C@@H](C)O1 ZINC001142672603 961575574 /nfs/dbraw/zinc/57/55/74/961575574.db2.gz FZQHCPOJJMZECB-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]cnc32)C[C@H](C)O1 ZINC001142672604 961577936 /nfs/dbraw/zinc/57/79/36/961577936.db2.gz FZQHCPOJJMZECB-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN CCC(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001142718365 961681569 /nfs/dbraw/zinc/68/15/69/961681569.db2.gz DTLKWJDIMOIQTD-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN COc1cc(C)cc(-n2cnc(C)c2N)c1 ZINC001211724650 961702742 /nfs/dbraw/zinc/70/27/42/961702742.db2.gz OWBSQVKXEARLBO-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN O=C(N[C@H]1CC12CC2)c1ccc(Cl)c(O)c1 ZINC001142753057 961702787 /nfs/dbraw/zinc/70/27/87/961702787.db2.gz OWGGAFBUSOTLNB-JTQLQIEISA-N 0 1 237.686 2.328 20 0 BEADMN Fc1cccc(C2(N[C@@H]3C[C@H]4C[C@H]4C3)COC2)c1 ZINC001167903967 961708627 /nfs/dbraw/zinc/70/86/27/961708627.db2.gz ZCFWSFNXDKURTF-GNXNZQSNSA-N 0 1 247.313 2.439 20 0 BEADMN COc1cc(C)c(CN2CC3(COC3)C2)c(C)c1 ZINC001142930577 961832990 /nfs/dbraw/zinc/83/29/90/961832990.db2.gz KYPTVIMOCAVRDC-UHFFFAOYSA-N 0 1 247.338 2.144 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1cccc2nonc21 ZINC001203127354 961857528 /nfs/dbraw/zinc/85/75/28/961857528.db2.gz JXNYZKGAYDOXNK-SCZZXKLOSA-N 0 1 235.262 2.155 20 0 BEADMN Cc1cccnc1CN1CCC[C@@H]1CF ZINC000292918210 961863214 /nfs/dbraw/zinc/86/32/14/961863214.db2.gz BPRHAYGCFSIHLO-LLVKDONJSA-N 0 1 208.280 2.324 20 0 BEADMN c1cn2cc(CN3CC4(CCC4)C3)ccc2n1 ZINC001143022056 961866986 /nfs/dbraw/zinc/86/69/86/961866986.db2.gz LGUOJXYZIJUICS-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC001143156499 961895253 /nfs/dbraw/zinc/89/52/53/961895253.db2.gz KDSRWCBXPFHETP-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN CCC(CC)CO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001204938377 962088829 /nfs/dbraw/zinc/08/88/29/962088829.db2.gz GLTXYUDRFGVZHT-YUTCNCBUSA-N 0 1 239.359 2.243 20 0 BEADMN CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](F)CC ZINC001151565599 962304743 /nfs/dbraw/zinc/30/47/43/962304743.db2.gz IMZPGONJZCTCQW-VXGBXAGGSA-N 0 1 246.370 2.361 20 0 BEADMN CCCC(=O)NC[C@@H](C)N(CC)C[C@H](F)CC ZINC001151565599 962304765 /nfs/dbraw/zinc/30/47/65/962304765.db2.gz IMZPGONJZCTCQW-VXGBXAGGSA-N 0 1 246.370 2.361 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1ccn2cncc2c1 ZINC001151909806 962353628 /nfs/dbraw/zinc/35/36/28/962353628.db2.gz XEQGCDIZXKDNLJ-GFCCVEGCSA-N 0 1 241.294 2.173 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)=C(C)C ZINC001268960605 962397995 /nfs/dbraw/zinc/39/79/95/962397995.db2.gz VUKPJWUAVQFWAN-STQMWFEESA-N 0 1 236.359 2.038 20 0 BEADMN CC/C=C(\C)C(=O)NC[C@@H](C)N(CC)CCF ZINC001152188226 962398882 /nfs/dbraw/zinc/39/88/82/962398882.db2.gz FVVONFWXZDDKOM-YTRUQHMWSA-N 0 1 244.354 2.139 20 0 BEADMN Cc1csc(CN2CC3CC(C3)C2)n1 ZINC001204380485 962473188 /nfs/dbraw/zinc/47/31/88/962473188.db2.gz CGGMNAGAUVMCIQ-UHFFFAOYSA-N 0 1 208.330 2.293 20 0 BEADMN Cc1nc2cc(N[C@H]3CCSC3=O)ccc2[nH]1 ZINC001167954837 962788375 /nfs/dbraw/zinc/78/83/75/962788375.db2.gz FZQULHRHAMVQNL-JTQLQIEISA-N 0 1 247.323 2.315 20 0 BEADMN CC[C@@H](C)NC(=O)c1[nH]nc2c1CCC(C)(C)C2 ZINC001154509118 962789079 /nfs/dbraw/zinc/78/90/79/962789079.db2.gz QXVNVCYBJRYMQS-SECBINFHSA-N 0 1 249.358 2.453 20 0 BEADMN CC(=CC(=O)Nc1c[nH]nn1)c1ccccc1C ZINC001154597291 962808396 /nfs/dbraw/zinc/80/83/96/962808396.db2.gz CVWIWWKMORPTKV-JXMROGBWSA-N 0 1 242.282 2.155 20 0 BEADMN COc1ccc2cnc(NCC3COC3)cc2c1 ZINC001154633665 962820383 /nfs/dbraw/zinc/82/03/83/962820383.db2.gz DPYOLUPBIJIUIJ-UHFFFAOYSA-N 0 1 244.294 2.302 20 0 BEADMN Cc1ccnc(CNc2ccc3c(n2)CCC3)n1 ZINC001154817495 962855582 /nfs/dbraw/zinc/85/55/82/962855582.db2.gz UJEBXKKVIBVNCE-UHFFFAOYSA-N 0 1 240.310 2.281 20 0 BEADMN C[C@H]1CCN(Cc2cncn2C)CCC1(F)F ZINC001204383588 962906799 /nfs/dbraw/zinc/90/67/99/962906799.db2.gz JRLXAOVGNWIWID-JTQLQIEISA-N 0 1 243.301 2.287 20 0 BEADMN CC1(C)CC[C@@H](COc2cccc3[nH]nnc32)O1 ZINC001225998445 962969478 /nfs/dbraw/zinc/96/94/78/962969478.db2.gz VMPOKRXPYLUSHV-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN COCC1CN(Cc2cc(C)cc(F)c2)C1 ZINC001143580299 963148446 /nfs/dbraw/zinc/14/84/46/963148446.db2.gz DJWDHOKEGUWQBS-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN C[C@@H](Oc1nccc(=O)[nH]1)C1CCCC1 ZINC001226327559 963156311 /nfs/dbraw/zinc/15/63/11/963156311.db2.gz YMDZCHZTQPUPRF-MRVPVSSYSA-N 0 1 208.261 2.140 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1cccc2cncn21 ZINC001155787145 963174092 /nfs/dbraw/zinc/17/40/92/963174092.db2.gz QUCGIEBWASWLHJ-JTQLQIEISA-N 0 1 231.299 2.109 20 0 BEADMN CC[C@@H](C)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001168003853 963245849 /nfs/dbraw/zinc/24/58/49/963245849.db2.gz QRQLWNUMDYUALH-GFCCVEGCSA-N 0 1 248.374 2.044 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1nc(C)cc(C)n1 ZINC001156508751 963377411 /nfs/dbraw/zinc/37/74/11/963377411.db2.gz FAXYLMFTNBPGAD-XFFZJAGNSA-N 0 1 249.314 2.361 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)cc(F)c1 ZINC001143592837 963394985 /nfs/dbraw/zinc/39/49/85/963394985.db2.gz VYEMACSZBFBAJQ-ZDUSSCGKSA-N 0 1 223.291 2.355 20 0 BEADMN COc1c(F)c(F)ccc1Nc1nccn1C ZINC001211883275 963429780 /nfs/dbraw/zinc/42/97/80/963429780.db2.gz BGDAKXDNIFZIAI-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN C[C@H]1CCN(Cc2cscn2)CC[C@]1(C)O ZINC001137591377 963436661 /nfs/dbraw/zinc/43/66/61/963436661.db2.gz OHXFZXOBJHKNEA-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1cnc(NCc2ccnc(N)c2)cc1C ZINC001156760704 963455612 /nfs/dbraw/zinc/45/56/12/963455612.db2.gz OGIPYKCEXUTILQ-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN Cc1ccoc1CN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000311088455 963458664 /nfs/dbraw/zinc/45/86/64/963458664.db2.gz NKRSFESXNXNOET-UHFFFAOYSA-N 0 1 246.266 2.318 20 0 BEADMN Cc1ccc(N2CCC(C(N)=S)CC2)nc1C ZINC001156796746 963463154 /nfs/dbraw/zinc/46/31/54/963463154.db2.gz JUAFVMNEJMYKLM-UHFFFAOYSA-N 0 1 249.383 2.201 20 0 BEADMN CCOc1ccnc(NC2(CO)CCCC2)c1 ZINC001157003347 963509379 /nfs/dbraw/zinc/50/93/79/963509379.db2.gz FVIGUXDYJNTXMC-UHFFFAOYSA-N 0 1 236.315 2.197 20 0 BEADMN CCC[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713673 963555016 /nfs/dbraw/zinc/55/50/16/963555016.db2.gz PXUJMDWREJSPPC-JGVFFNPUSA-N 0 1 238.287 2.341 20 0 BEADMN CCC[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713675 963556089 /nfs/dbraw/zinc/55/60/89/963556089.db2.gz PXUJMDWREJSPPC-YUMQZZPRSA-N 0 1 238.287 2.341 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)n[nH]1 ZINC001157200713 963556556 /nfs/dbraw/zinc/55/65/56/963556556.db2.gz QMOLOQBSGACGTN-XHVZSJERSA-N 0 1 247.342 2.428 20 0 BEADMN CC(=O)[C@H](N[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001168077485 963619234 /nfs/dbraw/zinc/61/92/34/963619234.db2.gz ISCICZGAGIAJAX-UGFHNGPFSA-N 0 1 247.338 2.474 20 0 BEADMN CC(C)N1CC(Nc2cccc(C3CC3)n2)C1 ZINC001157529674 963643525 /nfs/dbraw/zinc/64/35/25/963643525.db2.gz KMTUFICRLGYPMZ-UHFFFAOYSA-N 0 1 231.343 2.464 20 0 BEADMN CC(C)N1CC(Nc2ccc3occc3n2)C1 ZINC001157530934 963645207 /nfs/dbraw/zinc/64/52/07/963645207.db2.gz IUBZAZYMJQEUAH-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN C[C@@H]1C[C@H](N2CCC(F)(F)[C@H](F)C2)CCO1 ZINC001168111511 963749074 /nfs/dbraw/zinc/74/90/74/963749074.db2.gz AXKWEWLTKANGNX-OPRDCNLKSA-N 0 1 237.265 2.233 20 0 BEADMN Cc1nc2ccc(OC[C@@H]3CCCO3)cc2[nH]1 ZINC001228325497 963756896 /nfs/dbraw/zinc/75/68/96/963756896.db2.gz AAQHAPPZJDJNPV-NSHDSACASA-N 0 1 232.283 2.429 20 0 BEADMN CC[C@H]1CCCC[C@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001228389451 963771176 /nfs/dbraw/zinc/77/11/76/963771176.db2.gz XVMOGCLKUNAJNT-DTWKUNHWSA-N 0 1 238.287 2.235 20 0 BEADMN C[C@H]1C[C@@H](N(C)Cc2nccs2)CCO1 ZINC001168136912 963834506 /nfs/dbraw/zinc/83/45/06/963834506.db2.gz MABDXRWCWHFENA-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN CC(C)(C(=O)NOC1CCC1)c1cccc(O)c1 ZINC001158454466 963879223 /nfs/dbraw/zinc/87/92/23/963879223.db2.gz FBDUVGBGCHGCEH-UHFFFAOYSA-N 0 1 249.310 2.270 20 0 BEADMN COc1ccnc(N[C@@H](C)c2cnccn2)c1 ZINC001158593956 963892414 /nfs/dbraw/zinc/89/24/14/963892414.db2.gz NNIWLDVVEIEGTG-VIFPVBQESA-N 0 1 230.271 2.053 20 0 BEADMN COc1ccnc(N[C@H](C)c2cnccn2)c1 ZINC001158593955 963892958 /nfs/dbraw/zinc/89/29/58/963892958.db2.gz NNIWLDVVEIEGTG-SECBINFHSA-N 0 1 230.271 2.053 20 0 BEADMN CCOc1ccnc(N[C@H]2CCCOC2)c1 ZINC001158713503 963908058 /nfs/dbraw/zinc/90/80/58/963908058.db2.gz KONPYPVFSHCABO-JTQLQIEISA-N 0 1 222.288 2.071 20 0 BEADMN FC(F)(F)OCCNc1cccn2cncc12 ZINC001168175216 963915996 /nfs/dbraw/zinc/91/59/96/963915996.db2.gz PXBYJEIABLZBQA-UHFFFAOYSA-N 0 1 245.204 2.283 20 0 BEADMN C=C/C=C\CC(=O)Nc1cccc2[nH]nnc21 ZINC001158816691 963932732 /nfs/dbraw/zinc/93/27/32/963932732.db2.gz JHGUTDGXLOMWJR-ARJAWSKDSA-N 0 1 228.255 2.029 20 0 BEADMN COCC1(NCc2nc(C)c(C)s2)CC1 ZINC000697446538 963946281 /nfs/dbraw/zinc/94/62/81/963946281.db2.gz IJEQAUJHQSHRRJ-UHFFFAOYSA-N 0 1 226.345 2.029 20 0 BEADMN CN1CC2(C1)CN(c1cc3ccsc3cn1)C2 ZINC001158865801 963948555 /nfs/dbraw/zinc/94/85/55/963948555.db2.gz COLKTQFGLPNHPN-UHFFFAOYSA-N 0 1 245.351 2.048 20 0 BEADMN F[C@H]1C[C@H](CNc2cccn3cncc23)C1 ZINC001168238460 964029923 /nfs/dbraw/zinc/02/99/23/964029923.db2.gz DALMHXSBYPHVED-MGCOHNPYSA-N 0 1 219.263 2.494 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCOC[C@H]1C1CC1 ZINC001256751513 1169836674 /nfs/dbraw/zinc/83/66/74/1169836674.db2.gz YDMVLESUQIJJMU-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN CO[C@H]1CCN(Cc2cc(C)c(F)c(F)c2)C1 ZINC001143597501 964338811 /nfs/dbraw/zinc/33/88/11/964338811.db2.gz REXBOBBNUXXRKO-NSHDSACASA-N 0 1 241.281 2.494 20 0 BEADMN CC(C)Oc1ccc(NC2CN(C(C)C)C2)nc1 ZINC001168311783 964410729 /nfs/dbraw/zinc/41/07/29/964410729.db2.gz ONCJROLOEDUPFK-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN Cc1cc(NC2CN(C(C)C)C2)cc(F)n1 ZINC001168314813 964425395 /nfs/dbraw/zinc/42/53/95/964425395.db2.gz ADGDFPCUSJPFRU-UHFFFAOYSA-N 0 1 223.295 2.034 20 0 BEADMN CCOC(=O)[C@H](C)CNc1cc(C)c(C)cn1 ZINC001160891469 964436965 /nfs/dbraw/zinc/43/69/65/964436965.db2.gz IAYWXKCYFCYNKZ-LLVKDONJSA-N 0 1 236.315 2.310 20 0 BEADMN C[C@@]1(O)C[C@H](CNc2cc3nc[nH]c3cc2F)C1 ZINC001168344092 964481354 /nfs/dbraw/zinc/48/13/54/964481354.db2.gz KLXITKPYYMMZQC-KTLJEJPDSA-N 0 1 249.289 2.275 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cnnn2C)c(C)c1 ZINC000924711143 964601929 /nfs/dbraw/zinc/60/19/29/964601929.db2.gz RBLZBJLBJBVTPR-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CCC(=O)N[C@@]2(C)CC=CCC2)n[nH]1 ZINC001161487310 964612908 /nfs/dbraw/zinc/61/29/08/964612908.db2.gz KYADAJSEASBMGT-AWEZNQCLSA-N 0 1 247.342 2.266 20 0 BEADMN CCc1nccc(C)c1NC(=O)CN(C)C(C)C ZINC001142583947 964642349 /nfs/dbraw/zinc/64/23/49/964642349.db2.gz CEAQVTUWUKLQOY-UHFFFAOYSA-N 0 1 249.358 2.231 20 0 BEADMN COC(=O)c1cnc2[nH]cc(NCC(C)C)cc1-2 ZINC001161650707 964663886 /nfs/dbraw/zinc/66/38/86/964663886.db2.gz JYUZGCXFURWTGU-UHFFFAOYSA-N 0 1 247.298 2.417 20 0 BEADMN Cc1c2nc[nH]c2ccc1NC1CSC1 ZINC001168365289 964704437 /nfs/dbraw/zinc/70/44/37/964704437.db2.gz SLLKZTSFRRWHIS-UHFFFAOYSA-N 0 1 219.313 2.399 20 0 BEADMN CN(C)/C=C/c1ccncc1NCC(F)F ZINC001161817361 964770532 /nfs/dbraw/zinc/77/05/32/964770532.db2.gz LXHJILLQMHBWPO-GQCTYLIASA-N 0 1 227.258 2.291 20 0 BEADMN Cc1ccc(C)c(NCc2cnn(C)c2)n1 ZINC001161848958 964789424 /nfs/dbraw/zinc/78/94/24/964789424.db2.gz LGJBQBWLKIDCOE-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN Cc1cnc(NCc2cnn(C)c2)c2[nH]ccc21 ZINC001161848528 964791182 /nfs/dbraw/zinc/79/11/82/964791182.db2.gz ASKQWYWRSUNANK-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1cc2cc[nH]c2c(NC2CCOCC2)n1 ZINC001161859903 964797146 /nfs/dbraw/zinc/79/71/46/964797146.db2.gz VKAOZEQVQMWPOQ-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN Cn1ccc2c1nccc2NC1CCOCC1 ZINC001161867247 964798546 /nfs/dbraw/zinc/79/85/46/964798546.db2.gz QZCFWKAINLXMDX-UHFFFAOYSA-N 0 1 231.299 2.164 20 0 BEADMN Fc1cc2[nH]cnc2cc1NC1CCOCC1 ZINC001161867327 964799611 /nfs/dbraw/zinc/79/96/11/964799611.db2.gz STBIBKJROUCBOO-UHFFFAOYSA-N 0 1 235.262 2.293 20 0 BEADMN Cc1ccc(NCc2nccnc2C)nc1C ZINC001162001010 964845770 /nfs/dbraw/zinc/84/57/70/964845770.db2.gz SSEBZSLFKAEGMT-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN CC(C)(C)N1CC(Nc2ccc3c(n2)CCC3)C1 ZINC001162221500 964879857 /nfs/dbraw/zinc/87/98/57/964879857.db2.gz OWPZUEOOXZAHEB-UHFFFAOYSA-N 0 1 245.370 2.465 20 0 BEADMN CCCc1cncnc1NC1CN(C(C)(C)C)C1 ZINC001162221730 964881320 /nfs/dbraw/zinc/88/13/20/964881320.db2.gz UETHIDDEEFDJLC-UHFFFAOYSA-N 0 1 248.374 2.324 20 0 BEADMN FC1(F)CN(Cc2cccc3nc[nH]c32)C1 ZINC001142672644 964883784 /nfs/dbraw/zinc/88/37/84/964883784.db2.gz HMPAFCBSGSWOSH-UHFFFAOYSA-N 0 1 223.226 2.014 20 0 BEADMN CC(F)(F)CNc1ccc2nc[nH]c2n1 ZINC001162226542 964883812 /nfs/dbraw/zinc/88/38/12/964883812.db2.gz SSDWTSAMJVQDIS-UHFFFAOYSA-N 0 1 212.203 2.025 20 0 BEADMN Cc1ccc(C)c(NC[C@H](O)c2ccco2)n1 ZINC001162252531 964890261 /nfs/dbraw/zinc/89/02/61/964890261.db2.gz RNDPFAPZMACCJW-NSHDSACASA-N 0 1 232.283 2.437 20 0 BEADMN Cc1oncc1CNc1ccnc2c1ccn2C ZINC001162275011 964901361 /nfs/dbraw/zinc/90/13/61/964901361.db2.gz SVMHOGBIPMRYPC-UHFFFAOYSA-N 0 1 242.282 2.482 20 0 BEADMN CCOc1ccnc(N[C@@H]2C[C@]23CCCOC3)c1 ZINC001162369281 964944964 /nfs/dbraw/zinc/94/49/64/964944964.db2.gz DBJBXRVFOVPDCN-OCCSQVGLSA-N 0 1 248.326 2.461 20 0 BEADMN Cc1ccc(NC[C@@H](F)C(C)(C)O)nc1C ZINC001162411334 964969517 /nfs/dbraw/zinc/96/95/17/964969517.db2.gz FYMYVWYLVLXGJH-SNVBAGLBSA-N 0 1 226.295 2.219 20 0 BEADMN Cn1cnc2cnc(NC(=N)C(C)(C)C)cc21 ZINC001162657942 965092763 /nfs/dbraw/zinc/09/27/63/965092763.db2.gz WZMRPQPGDZDSJJ-UHFFFAOYSA-N 0 1 231.303 2.404 20 0 BEADMN CCc1ncncc1NC(=N)C(C)(C)C ZINC001162664843 965098185 /nfs/dbraw/zinc/09/81/85/965098185.db2.gz RVPQPKWMXREBQN-UHFFFAOYSA-N 0 1 206.293 2.474 20 0 BEADMN Cc1nc2cc(NCC3CC(=O)C3)ccc2[nH]1 ZINC001168392838 965127595 /nfs/dbraw/zinc/12/75/95/965127595.db2.gz QIDQCEZKBFXOMX-UHFFFAOYSA-N 0 1 229.283 2.262 20 0 BEADMN Cc1cc2nccn2cc1NCC1CC(=O)C1 ZINC001168394679 965134067 /nfs/dbraw/zinc/13/40/67/965134067.db2.gz OAYGTMQLZGWAAJ-UHFFFAOYSA-N 0 1 229.283 2.034 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCC1CC(=O)C1 ZINC001168394820 965142933 /nfs/dbraw/zinc/14/29/33/965142933.db2.gz PVVCBEARKQTMGZ-UHFFFAOYSA-N 0 1 229.283 2.262 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@H]1C=CCC1 ZINC000698249420 965143860 /nfs/dbraw/zinc/14/38/60/965143860.db2.gz NQCMTBPVHNOPDR-VIFPVBQESA-N 0 1 225.723 2.190 20 0 BEADMN Cc1[nH+]c(N[C@H]2C=CCC2)ccc1C(=O)[O-] ZINC000698263848 965158006 /nfs/dbraw/zinc/15/80/06/965158006.db2.gz CYSGHXIRPXSWDX-VIFPVBQESA-N 0 1 218.256 2.219 20 0 BEADMN CCCCN1CCN(C(=O)C2(CC)CC2)CC1 ZINC000950092162 965210750 /nfs/dbraw/zinc/21/07/50/965210750.db2.gz UIYUGJUCFPKVLG-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@H]1CCCN1Cc1cnc(C(F)(F)F)nc1 ZINC001141451215 965259858 /nfs/dbraw/zinc/25/98/58/965259858.db2.gz JSDJARXKZMRROE-QMMMGPOBSA-N 0 1 245.248 2.480 20 0 BEADMN Cc1ccc(O)c(CN2C[C@@H](F)C[C@H]2C)n1 ZINC001231669048 965278590 /nfs/dbraw/zinc/27/85/90/965278590.db2.gz ATCQXZSNTKBKDU-ZJUUUORDSA-N 0 1 224.279 2.028 20 0 BEADMN Brc1cccnc1NC1=CCOC1 ZINC001203381151 965427494 /nfs/dbraw/zinc/42/74/94/965427494.db2.gz XXDXZUNIAWUNRZ-UHFFFAOYSA-N 0 1 241.088 2.170 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001483653269 965378042 /nfs/dbraw/zinc/37/80/42/965378042.db2.gz NVCOHCHRZXFCGJ-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN COc1cc2ccnc(N3CCC3)c2cc1OC ZINC001163537344 965433715 /nfs/dbraw/zinc/43/37/15/965433715.db2.gz JEHOQIKMXXXTPW-UHFFFAOYSA-N 0 1 244.294 2.462 20 0 BEADMN C[C@H]1COCCN1[C@H]1CCc2cc(F)ccc2C1 ZINC001168427720 965463405 /nfs/dbraw/zinc/46/34/05/965463405.db2.gz PVTLABMTCXEBNO-NHYWBVRUSA-N 0 1 249.329 2.404 20 0 BEADMN COC1(C)CN([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168429360 965473239 /nfs/dbraw/zinc/47/32/39/965473239.db2.gz VLNHAKXHBCQELR-CQSZACIVSA-N 0 1 249.329 2.404 20 0 BEADMN C[C@@H]1CN([C@H]2CCc3cc(F)ccc3C2)CCO1 ZINC001168430320 965473671 /nfs/dbraw/zinc/47/36/71/965473671.db2.gz YJTJEHUTTCESRX-ABAIWWIYSA-N 0 1 249.329 2.404 20 0 BEADMN COc1ccnc(N2CCC(C)(OC)CC2)c1 ZINC001163942952 965651772 /nfs/dbraw/zinc/65/17/72/965651772.db2.gz KKSMQEKOAMEHEA-UHFFFAOYSA-N 0 1 236.315 2.096 20 0 BEADMN COc1c(F)c(F)ccc1O[C@@H]1CCN(C)C1 ZINC001234203050 965703709 /nfs/dbraw/zinc/70/37/09/965703709.db2.gz JIGPMMGTLYNXNC-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN CC1(Nc2cccc3[nH]nnc32)CCC1 ZINC001164031555 965705289 /nfs/dbraw/zinc/70/52/89/965705289.db2.gz FYONVYJSYDPPJF-UHFFFAOYSA-N 0 1 202.261 2.312 20 0 BEADMN Cc1nonc1CNc1cc2nc[nH]c2cc1F ZINC001164065684 965727664 /nfs/dbraw/zinc/72/76/64/965727664.db2.gz IBUOWFXQNNWFTG-UHFFFAOYSA-N 0 1 247.233 2.006 20 0 BEADMN Cc1cc2ccccc2c(N2C[C@@H](O)[C@@H](F)C2)n1 ZINC001164105794 965736944 /nfs/dbraw/zinc/73/69/44/965736944.db2.gz SGRXNIXSVFIJEZ-QWHCGFSZSA-N 0 1 246.285 2.062 20 0 BEADMN C[C@H](Cc1cccc(F)c1)n1ccnc1CN ZINC001168453230 965749798 /nfs/dbraw/zinc/74/97/98/965749798.db2.gz BDQIECGMKVVVNE-SNVBAGLBSA-N 0 1 233.290 2.285 20 0 BEADMN Cc1nc2ccc(NC[C@H]3CC(C)(C)O3)nc2[nH]1 ZINC001168456202 965765288 /nfs/dbraw/zinc/76/52/88/965765288.db2.gz KYPOTATYNHKNBM-SECBINFHSA-N 0 1 246.314 2.246 20 0 BEADMN Cc1ccc(N2CCC[C@@H](O)[C@@H](C)C2)nc1C ZINC001164219627 965802151 /nfs/dbraw/zinc/80/21/51/965802151.db2.gz VPVHAANYNKHIOC-WCQYABFASA-N 0 1 234.343 2.296 20 0 BEADMN Cc1cnc(N2[C@@H](C)CC[C@H]2CO)cc1C ZINC001164309258 965839472 /nfs/dbraw/zinc/83/94/72/965839472.db2.gz ADADHYSNAPIXOX-RYUDHWBXSA-N 0 1 220.316 2.048 20 0 BEADMN CCc1cc(CN2CC[C@]3(CC3(F)F)C2)on1 ZINC001203225532 965910275 /nfs/dbraw/zinc/91/02/75/965910275.db2.gz RQFGAKJQGCUYMB-NSHDSACASA-N 0 1 242.269 2.468 20 0 BEADMN Clc1cnc(CN2CC[C@H](C3CC3)C2)cn1 ZINC000400365245 965948205 /nfs/dbraw/zinc/94/82/05/965948205.db2.gz CYKPGXAFYIQVOW-JTQLQIEISA-N 0 1 237.734 2.362 20 0 BEADMN Cc1cnc(N(C)[C@H]2CC[C@H](O)CC2)cc1C ZINC001165225191 965988326 /nfs/dbraw/zinc/98/83/26/965988326.db2.gz UYGHHSCDPPHMFR-JOCQHMNTSA-N 0 1 234.343 2.438 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)N(C)C1COC1 ZINC001168489529 965994646 /nfs/dbraw/zinc/99/46/46/965994646.db2.gz DWIRNGVTFRODNY-JTQLQIEISA-N 0 1 223.291 2.087 20 0 BEADMN Cc1cnc(N2CC3(C2)CCCOC3)cc1C ZINC001165307738 966044822 /nfs/dbraw/zinc/04/48/22/966044822.db2.gz FTKHJBXSRFXZPS-UHFFFAOYSA-N 0 1 232.327 2.315 20 0 BEADMN C[C@@H]1COC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000699761833 966065664 /nfs/dbraw/zinc/06/56/64/966065664.db2.gz RUZVJTVILBRZGQ-PSASIEDQSA-N 0 1 241.718 2.170 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1cc(F)c(F)cc1F ZINC000699810837 966103791 /nfs/dbraw/zinc/10/37/91/966103791.db2.gz WFIGGDXNGCDWPK-JMCQJSRRSA-N 0 1 245.244 2.228 20 0 BEADMN Cc1c2nc[nH]c2ccc1N[C@H](C)CCO ZINC001165904864 966198493 /nfs/dbraw/zinc/19/84/93/966198493.db2.gz KYABCDMRZWPDAY-MRVPVSSYSA-N 0 1 219.288 2.054 20 0 BEADMN C[C@@H](CCO)Nc1cc(OC(C)(C)C)ccn1 ZINC001165966741 966217824 /nfs/dbraw/zinc/21/78/24/966217824.db2.gz OWYNYTUQDXQKOC-JTQLQIEISA-N 0 1 238.331 2.442 20 0 BEADMN COCC(C)(C)Nc1cccn2cncc12 ZINC001166049746 966240403 /nfs/dbraw/zinc/24/04/03/966240403.db2.gz KLDMANVYRCILCO-UHFFFAOYSA-N 0 1 219.288 2.171 20 0 BEADMN CC(C)(C)CNCc1nc(-c2cccnc2)no1 ZINC000701224688 1169887580 /nfs/dbraw/zinc/88/75/80/1169887580.db2.gz ZMOSUQKXYMAGNB-UHFFFAOYSA-N 0 1 246.314 2.267 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C2\CC[C@H](C)C2)c1C ZINC001123902325 966307445 /nfs/dbraw/zinc/30/74/45/966307445.db2.gz UKZMAEFMJPCUJN-SZUMLMDFSA-N 0 1 247.342 2.389 20 0 BEADMN CCOc1ccnc(N2CCn3cccc3C2)c1 ZINC001166601210 966318203 /nfs/dbraw/zinc/31/82/03/966318203.db2.gz BLSVVNKPMXYPMA-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN CN(CCO)Cc1c(Cl)[nH]c2ccccc21 ZINC001236254232 966326093 /nfs/dbraw/zinc/32/60/93/966326093.db2.gz UAUTVTBYXBZCOT-UHFFFAOYSA-N 0 1 238.718 2.245 20 0 BEADMN Cc1cc(C)nc(N2CCCCC23COC3)c1 ZINC001166691961 966369849 /nfs/dbraw/zinc/36/98/49/966369849.db2.gz NGCIECKFXFUYCU-UHFFFAOYSA-N 0 1 232.327 2.458 20 0 BEADMN CCN(c1cc(OC(C)C)ccn1)C1COC1 ZINC001166942817 966465367 /nfs/dbraw/zinc/46/53/67/966465367.db2.gz UJNQCSJDQNMMMP-UHFFFAOYSA-N 0 1 236.315 2.094 20 0 BEADMN CO[C@@H]1CCCN(c2cc(C)c(C)cn2)C1 ZINC001166952586 966479693 /nfs/dbraw/zinc/47/96/93/966479693.db2.gz DQBYDGVEUHVKEP-GFCCVEGCSA-N 0 1 220.316 2.314 20 0 BEADMN CCc1cc(CN2CCCOC(C)(C)C2)on1 ZINC001203225052 966565562 /nfs/dbraw/zinc/56/55/62/966565562.db2.gz JYGKCPSGRBGSIB-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1cc(CN2CC[C@H](OC)C[C@@H]2C)on1 ZINC001203232141 966571810 /nfs/dbraw/zinc/57/18/10/966571810.db2.gz PULAMJPPDXMRKM-JQWIXIFHSA-N 0 1 238.331 2.236 20 0 BEADMN c1nocc1Nc1cc(-c2ccccn2)no1 ZINC001203235066 966577123 /nfs/dbraw/zinc/57/71/23/966577123.db2.gz YULKWNGMTTXCED-UHFFFAOYSA-N 0 1 228.211 2.468 20 0 BEADMN CCc1nc(C)c(CN2CC[C@@]3(CCCO3)C2)[nH]1 ZINC001203236442 966577259 /nfs/dbraw/zinc/57/72/59/966577259.db2.gz NFWMVRTZYHEBAN-AWEZNQCLSA-N 0 1 249.358 2.035 20 0 BEADMN CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)[nH]1 ZINC001203246083 966578815 /nfs/dbraw/zinc/57/88/15/966578815.db2.gz ASOFBLVUGRFBFQ-DCAQKATOSA-N 0 1 237.322 2.213 20 0 BEADMN CCCn1cncc1CNCC(C)(C)F ZINC001203327193 966608405 /nfs/dbraw/zinc/60/84/05/966608405.db2.gz KCLWKHASKIDETO-UHFFFAOYSA-N 0 1 213.300 2.131 20 0 BEADMN c1nc(C2CC2)sc1NC1=CCOC1 ZINC001203385640 966625904 /nfs/dbraw/zinc/62/59/04/966625904.db2.gz BUOJPRVOHWFTEE-UHFFFAOYSA-N 0 1 208.286 2.347 20 0 BEADMN COc1ccc(CN2CC=CC2)c(OC)c1 ZINC001203472007 966660238 /nfs/dbraw/zinc/66/02/38/966660238.db2.gz SIMKSWRMILRKCD-UHFFFAOYSA-N 0 1 219.284 2.076 20 0 BEADMN CN(Cc1ccnc(OC(F)F)c1)C1CC1 ZINC001237612569 966675387 /nfs/dbraw/zinc/67/53/87/966675387.db2.gz USLRGFMUMURDEM-UHFFFAOYSA-N 0 1 228.242 2.277 20 0 BEADMN Cc1cnc(C)c(Nc2ccnc(CO)c2)c1 ZINC001203655875 966721028 /nfs/dbraw/zinc/72/10/28/966721028.db2.gz FKBZCTQNKLMFAE-UHFFFAOYSA-N 0 1 229.283 2.329 20 0 BEADMN COc1cc(CN2CCC[C@@H](C)C2)cnc1F ZINC001238448474 966758047 /nfs/dbraw/zinc/75/80/47/966758047.db2.gz RZLIGIZDJRRITA-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001203954488 966828619 /nfs/dbraw/zinc/82/86/19/966828619.db2.gz KOPKEQDNQIMNMN-MFKMUULPSA-N 0 1 223.291 2.485 20 0 BEADMN O[C@@H]1CN(Cc2cccc3ccccc32)C[C@@H]1F ZINC001203984420 966842161 /nfs/dbraw/zinc/84/21/61/966842161.db2.gz WAFLHLUPIAUIEB-LSDHHAIUSA-N 0 1 245.297 2.354 20 0 BEADMN OCc1ccc2c(c1)CCN(Cc1ccc[nH]1)C2 ZINC001204006449 966844965 /nfs/dbraw/zinc/84/49/65/966844965.db2.gz JUHYPNNNQSALSW-UHFFFAOYSA-N 0 1 242.322 2.065 20 0 BEADMN CN(Cc1c[nH]c2ccccc12)C1(C)COC1 ZINC001204049197 966869438 /nfs/dbraw/zinc/86/94/38/966869438.db2.gz UYLMZZNJXGVKDH-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN COc1cc(CN2CC(C)(C)C2)ccc1O ZINC001204111969 966895759 /nfs/dbraw/zinc/89/57/59/966895759.db2.gz JLVMVLXXRPGMDF-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001204150251 966901411 /nfs/dbraw/zinc/90/14/11/966901411.db2.gz CRDOFLWEYKYTTB-AVGNSLFASA-N 0 1 249.285 2.175 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC001204159703 966905545 /nfs/dbraw/zinc/90/55/45/966905545.db2.gz NJOOZMSNHNMAGZ-GFCCVEGCSA-N 0 1 237.274 2.319 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@@H](CO)C2)cc1 ZINC001204168923 966914255 /nfs/dbraw/zinc/91/42/55/966914255.db2.gz AQVUOZCNJKKEQU-ZIAGYGMSSA-N 0 1 237.318 2.147 20 0 BEADMN Nc1ccnc2cc(C3=CCOC3)ccc12 ZINC001239490398 966918192 /nfs/dbraw/zinc/91/81/92/966918192.db2.gz NENZQKGUJOWBPJ-UHFFFAOYSA-N 0 1 212.252 2.231 20 0 BEADMN CC(=O)[C@H](C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001205234028 966924091 /nfs/dbraw/zinc/92/40/91/966924091.db2.gz UYCQVEBCADAKND-DZGCQCFKSA-N 0 1 247.338 2.255 20 0 BEADMN Cc1nc(-c2ccsc2)nc2nc[nH]c21 ZINC001239508594 966946482 /nfs/dbraw/zinc/94/64/82/966946482.db2.gz CVUJSUIVBLLYJN-UHFFFAOYSA-N 0 1 216.269 2.341 20 0 BEADMN c1cc(CN2CC3(CSC3)C2)cc2c1OCC2 ZINC001204494714 967004153 /nfs/dbraw/zinc/00/41/53/967004153.db2.gz QGTOEBPRRDAMAI-UHFFFAOYSA-N 0 1 247.363 2.170 20 0 BEADMN COCC1CN(Cc2ccc3ccccc3n2)C1 ZINC001204499265 967008232 /nfs/dbraw/zinc/00/82/32/967008232.db2.gz GHXUOVHEOWBKGB-UHFFFAOYSA-N 0 1 242.322 2.313 20 0 BEADMN COC[C@H]1CCN1Cc1cccc(F)c1C ZINC001204511982 967016095 /nfs/dbraw/zinc/01/60/95/967016095.db2.gz AXYZFTBFFWABAM-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cc(C)cc(CN2CC3(COC3)C2)c1 ZINC001204517864 967024469 /nfs/dbraw/zinc/02/44/69/967024469.db2.gz GBXDVOYIAGHOFF-UHFFFAOYSA-N 0 1 217.312 2.136 20 0 BEADMN CCN(CCOC)Cc1cc(C)c(C)o1 ZINC001204530835 967027263 /nfs/dbraw/zinc/02/72/63/967027263.db2.gz JGHJVSAWHMWAQJ-UHFFFAOYSA-N 0 1 211.305 2.365 20 0 BEADMN CCOC(=O)CCN(C)Cc1cc(C)c(C)o1 ZINC001204533294 967027489 /nfs/dbraw/zinc/02/74/89/967027489.db2.gz ODDIOASTLDSRRV-UHFFFAOYSA-N 0 1 239.315 2.281 20 0 BEADMN C[C@@H]1CCN(Cc2nccs2)CC[C@@]1(C)O ZINC001204544543 967045252 /nfs/dbraw/zinc/04/52/52/967045252.db2.gz DJHHZPXNQCBHLF-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN Nc1ncc(Nc2ccc3nccn3c2)cc1F ZINC001249756266 967045858 /nfs/dbraw/zinc/04/58/58/967045858.db2.gz YTYBMRLZIIRGOZ-UHFFFAOYSA-N 0 1 243.245 2.194 20 0 BEADMN C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759174 967047194 /nfs/dbraw/zinc/04/71/94/967047194.db2.gz HYWQVZHAJQFPTQ-SSDOTTSWSA-N 0 1 241.237 2.257 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759174 967047204 /nfs/dbraw/zinc/04/72/04/967047204.db2.gz HYWQVZHAJQFPTQ-SSDOTTSWSA-N 0 1 241.237 2.257 20 0 BEADMN Cc1nc[nH]c1CN1CCC(OC2CCC2)CC1 ZINC001204587356 967071441 /nfs/dbraw/zinc/07/14/41/967071441.db2.gz BKKBXCIGKRVGFF-UHFFFAOYSA-N 0 1 249.358 2.252 20 0 BEADMN CCOC(=O)[C@H](C)c1c(F)cc(F)c(O)c1F ZINC001249855366 967093344 /nfs/dbraw/zinc/09/33/44/967093344.db2.gz FXXKNAZPHBMFGV-RXMQYKEDSA-N 0 1 248.200 2.476 20 0 BEADMN Fc1cccc(-c2ncc3c(n2)CNC3)c1F ZINC001239704967 967097516 /nfs/dbraw/zinc/09/75/16/967097516.db2.gz RNRAYGDYYTUBCB-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CO[C@@H]1CCCN(Cc2cccn2C(F)F)C1 ZINC001204749955 967144866 /nfs/dbraw/zinc/14/48/66/967144866.db2.gz PQASQOKALGZXHL-LLVKDONJSA-N 0 1 244.285 2.494 20 0 BEADMN CC(C)(C)C(=O)Cc1ccc2[nH]nnc2c1 ZINC001249918405 967160412 /nfs/dbraw/zinc/16/04/12/967160412.db2.gz DUQOEIRBEWYERF-UHFFFAOYSA-N 0 1 217.272 2.116 20 0 BEADMN CC(C)(C)C(=O)Cc1ccc2nn[nH]c2c1 ZINC001249918405 967160428 /nfs/dbraw/zinc/16/04/28/967160428.db2.gz DUQOEIRBEWYERF-UHFFFAOYSA-N 0 1 217.272 2.116 20 0 BEADMN CCC(=O)CC1=CC[C@H](N2CCOCC2)CC1 ZINC001249922970 967169333 /nfs/dbraw/zinc/16/93/33/967169333.db2.gz VLQPNDLPVWQAQO-ZDUSSCGKSA-N 0 1 237.343 2.167 20 0 BEADMN CC(C)Cc1ccnc(N2CCN(C)CC2)c1 ZINC001249927452 967170493 /nfs/dbraw/zinc/17/04/93/967170493.db2.gz QWPCDRBOLUZIOG-UHFFFAOYSA-N 0 1 233.359 2.032 20 0 BEADMN CN[C@H](c1nc(-c2cccnc2)no1)C(C)(C)C ZINC001204895119 967217045 /nfs/dbraw/zinc/21/70/45/967217045.db2.gz ILYVVDMYAMGBTQ-SNVBAGLBSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1cnc(Cl)c(CNC2(CO)CCC2)c1 ZINC000921858974 967365924 /nfs/dbraw/zinc/36/59/24/967365924.db2.gz ITCXMFUBEGGFHK-UHFFFAOYSA-N 0 1 240.734 2.048 20 0 BEADMN Cc1cc(N(C)C)ncc1Cc1cccnc1 ZINC001250170507 967469776 /nfs/dbraw/zinc/46/97/76/967469776.db2.gz RYNOGOMHZIEWDV-UHFFFAOYSA-N 0 1 227.311 2.442 20 0 BEADMN CC1(C)OC[C@@H](Cc2ccc3cncn3c2)O1 ZINC001250182869 967483197 /nfs/dbraw/zinc/48/31/97/967483197.db2.gz FSFYXLQKADGXGM-GFCCVEGCSA-N 0 1 232.283 2.028 20 0 BEADMN CC1(C)OC[C@@H](Cc2cccc3nc[nH]c32)O1 ZINC001250186626 967493712 /nfs/dbraw/zinc/49/37/12/967493712.db2.gz RQTFRLKKPADOSJ-SNVBAGLBSA-N 0 1 232.283 2.257 20 0 BEADMN Cc1ccc(CNc2cc(C(=O)[O-])cc[nH+]2)cn1 ZINC000062057555 967541842 /nfs/dbraw/zinc/54/18/42/967541842.db2.gz AXFGDICSUWPGST-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN Cc1cc(-c2cncnc2)cc2nc[nH]c21 ZINC001240374632 967570778 /nfs/dbraw/zinc/57/07/78/967570778.db2.gz XOOUWZXZWPJLLC-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cccc(C)c1CCN1CCOCC1 ZINC001250274375 967598266 /nfs/dbraw/zinc/59/82/66/967598266.db2.gz GIZGTJPVZAQSHJ-UHFFFAOYSA-N 0 1 219.328 2.178 20 0 BEADMN Cc1[nH]nc2ccc(CC(=O)N3CCCC3)cc12 ZINC001250290405 967628693 /nfs/dbraw/zinc/62/86/93/967628693.db2.gz KWFXJYHKGPOHPA-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN C[C@@]1(CN2CCO[C@@H](CCF)C2)CCCCO1 ZINC001474667191 1169909152 /nfs/dbraw/zinc/90/91/52/1169909152.db2.gz ITYAKYYKQPROHV-STQMWFEESA-N 0 1 245.338 2.006 20 0 BEADMN COCOc1cc(C)ccc1Nc1cncn1C ZINC001205447182 967634401 /nfs/dbraw/zinc/63/44/01/967634401.db2.gz GLHBQXNXFWMZIV-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN COc1ccc(F)c(-n2cncc2N)c1Cl ZINC001250305553 967648654 /nfs/dbraw/zinc/64/86/54/967648654.db2.gz NJLXBZOYDXOSBK-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN Nc1cccnc1Nc1ccc2cncn2c1 ZINC001250324207 967701787 /nfs/dbraw/zinc/70/17/87/967701787.db2.gz QGZPNBAOTIFHTH-UHFFFAOYSA-N 0 1 225.255 2.055 20 0 BEADMN Cc1nn(C)cc1Nc1ccc2cncn2c1 ZINC001250322543 967702266 /nfs/dbraw/zinc/70/22/66/967702266.db2.gz CYFZETZUCFCSFX-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN CCc1nnc(Nc2ccc3cncn3c2)s1 ZINC001250323043 967703252 /nfs/dbraw/zinc/70/32/52/967703252.db2.gz RESIDFOLCMQWPE-UHFFFAOYSA-N 0 1 245.311 2.492 20 0 BEADMN c1ncn2cc(Cc3ccccn3)ccc12 ZINC001250323621 967703361 /nfs/dbraw/zinc/70/33/61/967703361.db2.gz OWNFVBPAKUEWIE-UHFFFAOYSA-N 0 1 209.252 2.320 20 0 BEADMN c1coc(Nc2ccc3cncn3c2)n1 ZINC001250323165 967703382 /nfs/dbraw/zinc/70/33/82/967703382.db2.gz DLZJPBIEZHQJAJ-UHFFFAOYSA-N 0 1 200.201 2.066 20 0 BEADMN COc1nc(OC)c(CN(C)C(C)C)cc1C ZINC001250326467 967705676 /nfs/dbraw/zinc/70/56/76/967705676.db2.gz SNOGKOCZHCGQFS-UHFFFAOYSA-N 0 1 238.331 2.247 20 0 BEADMN CCc1cnc(Nc2ccc3cncn3c2)cn1 ZINC001250327336 967710125 /nfs/dbraw/zinc/71/01/25/967710125.db2.gz QRUOINYECJZISR-UHFFFAOYSA-N 0 1 239.282 2.430 20 0 BEADMN Cc1cnc(Nc2ccc3cncn3c2)c(C)n1 ZINC001250326886 967711724 /nfs/dbraw/zinc/71/17/24/967711724.db2.gz BKUCXLBRNFMLOO-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN Cc1cnc(Nc2ccc3cncn3c2)c(N)c1 ZINC001250327120 967713770 /nfs/dbraw/zinc/71/37/70/967713770.db2.gz JBSHJGBPRWMBCI-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Nc1cccc2cn(-c3ccc4cncn4c3)nc21 ZINC001250328228 967713965 /nfs/dbraw/zinc/71/39/65/967713965.db2.gz IYLCLIHGSVKZNY-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN c1ncn2cc(Nc3nonc3C3CC3)ccc12 ZINC001250329389 967719125 /nfs/dbraw/zinc/71/91/25/967719125.db2.gz ISSAKKDYUOCWKL-UHFFFAOYSA-N 0 1 241.254 2.338 20 0 BEADMN Cc1ccc(F)c(CN2CC(C3COC3)C2)c1 ZINC001205616905 967724827 /nfs/dbraw/zinc/72/48/27/967724827.db2.gz MVCBCFBVNWLEHW-UHFFFAOYSA-N 0 1 235.302 2.212 20 0 BEADMN Cc1nnc(Cc2cc(O)c(F)c(F)c2F)o1 ZINC001250341611 967728571 /nfs/dbraw/zinc/72/85/71/967728571.db2.gz GONISEPQXHACBX-UHFFFAOYSA-N 0 1 244.172 2.092 20 0 BEADMN Oc1c(F)cc(F)c(Cc2ncccn2)c1F ZINC001250342579 967734933 /nfs/dbraw/zinc/73/49/33/967734933.db2.gz GJBBTGCUUIKOJV-UHFFFAOYSA-N 0 1 240.184 2.190 20 0 BEADMN Cn1ccc2cc(Nc3cncn3C)cnc21 ZINC001205686322 967775079 /nfs/dbraw/zinc/77/50/79/967775079.db2.gz GDVZCKZOMHTZMW-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cc1cc(Cc2cccc3nc[nH]c32)n(C)n1 ZINC001250419458 967827085 /nfs/dbraw/zinc/82/70/85/967827085.db2.gz JGEXEDABPGFYGR-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c([C@@H]3CCOC3)nc21 ZINC001250433661 967850879 /nfs/dbraw/zinc/85/08/79/967850879.db2.gz VOKPYQMXFBFOTL-RXMQYKEDSA-N 0 1 242.200 2.484 20 0 BEADMN CN(C)C(=O)c1nc2cc(F)cc(Cl)c2[nH]1 ZINC001250436784 967858284 /nfs/dbraw/zinc/85/82/84/967858284.db2.gz UDUAQXMOTHULKW-UHFFFAOYSA-N 0 1 241.653 2.057 20 0 BEADMN Cn1ccnc1Nc1cccc(O)c1F ZINC001212545912 967860491 /nfs/dbraw/zinc/86/04/91/967860491.db2.gz VYICJPIMUXXUTJ-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Cc1cc(-c2nc3ccc(N(C)C)cc3[nH]2)n[nH]1 ZINC001250439113 967861835 /nfs/dbraw/zinc/86/18/35/967861835.db2.gz KPJNNFYSKKSSGD-UHFFFAOYSA-N 0 1 241.298 2.327 20 0 BEADMN CSc1ccc2nc(-c3cn[nH]n3)[nH]c2c1 ZINC001250441775 967865431 /nfs/dbraw/zinc/86/54/31/967865431.db2.gz WKWPFUPMLHPPCS-UHFFFAOYSA-N 0 1 231.284 2.070 20 0 BEADMN CSc1ccc2[nH]c(-c3c[nH]nn3)nc2c1 ZINC001250441775 967865432 /nfs/dbraw/zinc/86/54/32/967865432.db2.gz WKWPFUPMLHPPCS-UHFFFAOYSA-N 0 1 231.284 2.070 20 0 BEADMN CC(C)n1c2ccccc2nc1-c1c[nH]nn1 ZINC001250441765 967865776 /nfs/dbraw/zinc/86/57/76/967865776.db2.gz VSGXXJUEFJXKQW-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN Cc1[nH]nc2ccc(-c3ncccn3)cc21 ZINC001250443576 967868848 /nfs/dbraw/zinc/86/88/48/967868848.db2.gz AUNIBBOBNATAEA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C[C@H]1C ZINC001205881485 967872508 /nfs/dbraw/zinc/87/25/08/967872508.db2.gz FAYMBECNLZGEJT-RISCZKNCSA-N 0 1 249.358 2.075 20 0 BEADMN CO[C@H]1CCN(Cc2cn(C3CC3)cn2)C[C@H]1C ZINC001205881485 967872509 /nfs/dbraw/zinc/87/25/09/967872509.db2.gz FAYMBECNLZGEJT-RISCZKNCSA-N 0 1 249.358 2.075 20 0 BEADMN Oc1cc(F)c(-c2ncccn2)cc1F ZINC001250448689 967872963 /nfs/dbraw/zinc/87/29/63/967872963.db2.gz KNQVJKVJIOWPNS-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Clc1ccc(CNCCOC2CCC2)nc1 ZINC000703886892 967880944 /nfs/dbraw/zinc/88/09/44/967880944.db2.gz PNQXDANFNFNJDH-UHFFFAOYSA-N 0 1 240.734 2.394 20 0 BEADMN CC(C)(C)C(=N)Nc1c(N)nccc1F ZINC001162661336 967884269 /nfs/dbraw/zinc/88/42/69/967884269.db2.gz UUOQEVKDQUCEAP-UHFFFAOYSA-N 0 1 210.256 2.238 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c(-c3ncc[nH]3)nc21 ZINC001250469636 967892923 /nfs/dbraw/zinc/89/29/23/967892923.db2.gz JXAUDBYVWRQTJC-UHFFFAOYSA-N 0 1 238.172 2.370 20 0 BEADMN COc1cc2[nH]c(-c3ncc[nH]3)nc2cc1C ZINC001250470469 967896540 /nfs/dbraw/zinc/89/65/40/967896540.db2.gz RZKKTCNTQBZNIV-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN c1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccn1 ZINC001250472897 967897721 /nfs/dbraw/zinc/89/77/21/967897721.db2.gz UJHMFRBVXBPECL-OAHLLOKOSA-N 0 1 244.338 2.350 20 0 BEADMN Oc1cc(-c2ccncn2)c(F)c(F)c1F ZINC001250492697 967966294 /nfs/dbraw/zinc/96/62/94/967966294.db2.gz UZJGHWMKCTXASC-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1[nH]cnc1-c1nc2ccc(N(C)C)cc2[nH]1 ZINC001250498074 967981281 /nfs/dbraw/zinc/98/12/81/967981281.db2.gz GMMBTDKFAHILQC-UHFFFAOYSA-N 0 1 241.298 2.327 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cnn(C)c3)nc21 ZINC001250501698 967987240 /nfs/dbraw/zinc/98/72/40/967987240.db2.gz JRKPCUSBCUAINJ-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2[nH]c(-c3nccn3C)nc2cc1C ZINC001250501190 967988767 /nfs/dbraw/zinc/98/87/67/967988767.db2.gz LXQDBYNWYQUSGF-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN CCOc1ccc2nc(-c3c[nH]cn3)[nH]c2c1 ZINC001250500441 967989673 /nfs/dbraw/zinc/98/96/73/967989673.db2.gz WBRZUGNPVPFAOC-UHFFFAOYSA-N 0 1 228.255 2.352 20 0 BEADMN COc1cc2[nH]c(-c3ccn(C)n3)nc2cc1C ZINC001250512177 968009332 /nfs/dbraw/zinc/00/93/32/968009332.db2.gz RVTDJYLLXRHJHU-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN COc1cc2nc(-c3cn(C)cn3)[nH]c2cc1F ZINC001250511929 968011649 /nfs/dbraw/zinc/01/16/49/968011649.db2.gz NNXICJQADVHFHI-UHFFFAOYSA-N 0 1 246.245 2.111 20 0 BEADMN COc1ncc(-c2nc3ccc(C)cc3[nH]2)cn1 ZINC001250515906 968016672 /nfs/dbraw/zinc/01/66/72/968016672.db2.gz XSLOFJGOBRKXBZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1coc(C)n1 ZINC001206067493 968033445 /nfs/dbraw/zinc/03/34/45/968033445.db2.gz CXZKZKYEXFURQD-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN COC(OC)c1nc2cc(C)c(F)cc2[nH]1 ZINC001250539875 968045326 /nfs/dbraw/zinc/04/53/26/968045326.db2.gz BARZWMNUCSIPQU-UHFFFAOYSA-N 0 1 224.235 2.302 20 0 BEADMN CC(=O)Nc1ccc2nc(CC3CC3)[nH]c2c1 ZINC001250572584 968093251 /nfs/dbraw/zinc/09/32/51/968093251.db2.gz CANLYPJOJKKZHB-UHFFFAOYSA-N 0 1 229.283 2.474 20 0 BEADMN COCOc1ccc2nc(CC3CC3)[nH]c2c1 ZINC001250573130 968093581 /nfs/dbraw/zinc/09/35/81/968093581.db2.gz UVZZTHFITKMILK-UHFFFAOYSA-N 0 1 232.283 2.498 20 0 BEADMN COC(=O)[C@@H](C)c1nc2cc(C)c(OC)cc2[nH]1 ZINC001250577609 968100219 /nfs/dbraw/zinc/10/02/19/968100219.db2.gz UOVODXJQQCCDGW-QMMMGPOBSA-N 0 1 248.282 2.156 20 0 BEADMN Cc1nc(C)c(CN2CC3(CSC3)C2)s1 ZINC001206192704 968119339 /nfs/dbraw/zinc/11/93/39/968119339.db2.gz YVIHHEIEDXUBHU-UHFFFAOYSA-N 0 1 240.397 2.309 20 0 BEADMN Oc1cc(F)c(-c2cncnc2)cc1F ZINC001250599982 968139198 /nfs/dbraw/zinc/13/91/98/968139198.db2.gz RRWNUSKTNIBAEV-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN c1cncc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001250605206 968150374 /nfs/dbraw/zinc/15/03/74/968150374.db2.gz ILVRXYYQWQNQBU-HNNXBMFYSA-N 0 1 244.338 2.350 20 0 BEADMN COC(=O)Cc1cc(NC2(C)CCC2)ccn1 ZINC001164031696 968161136 /nfs/dbraw/zinc/16/11/36/968161136.db2.gz JWGCEIAPLZBIEL-UHFFFAOYSA-N 0 1 234.299 2.152 20 0 BEADMN Cc1cccc(CCN(C)Cc2cn(C)cn2)c1 ZINC001206237404 968162240 /nfs/dbraw/zinc/16/22/40/968162240.db2.gz NEKGNKIGLLOUCW-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN COc1cc2[nH]c(-c3cnccn3)nc2cc1C ZINC001250629360 968172717 /nfs/dbraw/zinc/17/27/17/968172717.db2.gz ARKPRIYEUJTNAZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc2nc(-c3nc(C)c[nH]3)[nH]c2cc1F ZINC001250735406 968198900 /nfs/dbraw/zinc/19/89/00/968198900.db2.gz HWXGVBGGZAHCHV-UHFFFAOYSA-N 0 1 246.245 2.409 20 0 BEADMN c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)c[nH]1 ZINC001250895289 968210528 /nfs/dbraw/zinc/21/05/28/968210528.db2.gz DDGRFFIJYSNNCA-UHFFFAOYSA-N 0 1 225.251 2.493 20 0 BEADMN CN(C)c1ccc2nc(-c3csnn3)[nH]c2c1 ZINC001250925088 968218780 /nfs/dbraw/zinc/21/87/80/968218780.db2.gz SZXUGUSFAOGEMS-UHFFFAOYSA-N 0 1 245.311 2.147 20 0 BEADMN CC(C)SCC[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397120133 968250449 /nfs/dbraw/zinc/25/04/49/968250449.db2.gz SPQJFSANENZRFF-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001251472387 968287242 /nfs/dbraw/zinc/28/72/42/968287242.db2.gz UIXWQCJNSRMROS-WDEREUQCSA-N 0 1 233.315 2.062 20 0 BEADMN CC(=CC(=O)Nc1nc(C(C)C)n[nH]1)C1CC1 ZINC001251609649 968294436 /nfs/dbraw/zinc/29/44/36/968294436.db2.gz BAULKVUUHNFJLF-SOFGYWHQSA-N 0 1 234.303 2.223 20 0 BEADMN C/C(=C\C(=O)Nc1n[nH]c(C(C)C)n1)C1CC1 ZINC001251609649 968294447 /nfs/dbraw/zinc/29/44/47/968294447.db2.gz BAULKVUUHNFJLF-SOFGYWHQSA-N 0 1 234.303 2.223 20 0 BEADMN Cc1cc2nc(-c3nc[nH]n3)[nH]c2cc1Cl ZINC001251632220 968296106 /nfs/dbraw/zinc/29/61/06/968296106.db2.gz JATWVTLZRKEAGQ-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN COC(C)(C)CNc1cnccc1/C=C/N(C)C ZINC001165857796 968296409 /nfs/dbraw/zinc/29/64/09/968296409.db2.gz HBJPLHMVSJUJIN-VQHVLOKHSA-N 0 1 249.358 2.451 20 0 BEADMN CC(C)OC(=O)CN(C1CC1)C1CCCC1 ZINC001251705444 968303487 /nfs/dbraw/zinc/30/34/87/968303487.db2.gz OWTKTIWXFURHJU-UHFFFAOYSA-N 0 1 225.332 2.345 20 0 BEADMN Cc1cc(CNCc2ccc([C@@H](C)O)cc2)[nH]n1 ZINC001251723690 968305579 /nfs/dbraw/zinc/30/55/79/968305579.db2.gz CAMDAQIBRHYXHG-LLVKDONJSA-N 0 1 245.326 2.061 20 0 BEADMN Cc1nc(CO[C@@H]2CCC[N@H+](C)C2)cs1 ZINC001206442650 968307419 /nfs/dbraw/zinc/30/74/19/968307419.db2.gz QAZPRIQJIICYQJ-LLVKDONJSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ccc(CCNCc2nnc(C)s2)o1 ZINC000698336935 968338232 /nfs/dbraw/zinc/33/82/32/968338232.db2.gz XDCANYIMZBPTEA-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN Cc1nonc1-c1nc2ccc(C)cc2[nH]1 ZINC001251802538 968341651 /nfs/dbraw/zinc/34/16/51/968341651.db2.gz PBGYQSVRXOJTGN-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CC[C@@H](O)CNCc1nccc(Cl)c1Cl ZINC001251813946 968346802 /nfs/dbraw/zinc/34/68/02/968346802.db2.gz HJAPGMVQFVPPSI-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN C1=CCC(c2nc([C@H]3CN4CCC3CC4)no2)C1 ZINC001320494995 1169917788 /nfs/dbraw/zinc/91/77/88/1169917788.db2.gz BUYWHMVGFUGJCX-LBPRGKRZSA-N 0 1 245.326 2.312 20 0 BEADMN CCCC(=O)Nc1cnccc1-n1ccnc1C ZINC001251846295 968364235 /nfs/dbraw/zinc/36/42/35/968364235.db2.gz BBGANIDBJXMEOW-UHFFFAOYSA-N 0 1 244.298 2.314 20 0 BEADMN CN(C[C@H](O)c1ccccc1)C1CC(F)(F)C1 ZINC001251978706 968420466 /nfs/dbraw/zinc/42/04/66/968420466.db2.gz TUKCBINHGNCEPB-LBPRGKRZSA-N 0 1 241.281 2.450 20 0 BEADMN COc1cccnc1CN1CCCCC1 ZINC001206610988 968420638 /nfs/dbraw/zinc/42/06/38/968420638.db2.gz PIWSLCAMLBUBQE-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN C[C@H]1CN(C[C@@H](O)c2ccccc2)CCCC1=O ZINC001251984066 968424387 /nfs/dbraw/zinc/42/43/87/968424387.db2.gz YHZHAYMWFGQSCQ-SWLSCSKDSA-N 0 1 247.338 2.021 20 0 BEADMN Cc1nnc(SCc2ccc3c(c2)COC3)[nH]1 ZINC001320689893 1169919220 /nfs/dbraw/zinc/91/92/20/1169919220.db2.gz BBBZSYFONSJHFV-UHFFFAOYSA-N 0 1 247.323 2.436 20 0 BEADMN COc1cccnc1CN1CCC(CF)CC1 ZINC001206643868 968426033 /nfs/dbraw/zinc/42/60/33/968426033.db2.gz BVPLDNUEPILYCT-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN CC(C)[C@H]1COCCN1C[C@H](O)c1ccccc1 ZINC001251991222 968427456 /nfs/dbraw/zinc/42/74/56/968427456.db2.gz LBWXFQJEUKJNHS-CABCVRRESA-N 0 1 249.354 2.077 20 0 BEADMN O[C@@H](CN1CCc2occc2C1)c1ccccc1 ZINC001251992341 968427983 /nfs/dbraw/zinc/42/79/83/968427983.db2.gz PJIQOHJGSZKSTA-AWEZNQCLSA-N 0 1 243.306 2.371 20 0 BEADMN COc1cccnc1CN(C)CCC1CC1 ZINC001206657238 968428972 /nfs/dbraw/zinc/42/89/72/968428972.db2.gz RCPLSZOMBDXRRB-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001119636908 968449076 /nfs/dbraw/zinc/44/90/76/968449076.db2.gz JOMVYETXTZGTPS-BUJSFMDZSA-N 0 1 243.257 2.072 20 0 BEADMN Cc1nccc(-c2cc(F)c(O)cc2F)n1 ZINC001206754932 968456920 /nfs/dbraw/zinc/45/69/20/968456920.db2.gz BGHDXUSVDZVKOC-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1nccnc1-c1cc(F)c(O)cc1F ZINC001206755362 968458232 /nfs/dbraw/zinc/45/82/32/968458232.db2.gz JXAFDVWHZAGUDQ-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN COc1ccnc(-c2cc(F)c(O)cc2F)n1 ZINC001206755579 968459320 /nfs/dbraw/zinc/45/93/20/968459320.db2.gz MYEVFMRPZPFUEO-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Nc1cnc(-c2cc(F)c(O)cc2F)c(F)c1 ZINC001206761000 968462121 /nfs/dbraw/zinc/46/21/21/968462121.db2.gz GWJLNOOUVOGRFS-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Cc1ncn(C)c1Nc1cc(O)cc(F)c1 ZINC001206774787 968465764 /nfs/dbraw/zinc/46/57/64/968465764.db2.gz RTYVZIICEGHCOZ-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Cc1ccnc(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001206852539 968500548 /nfs/dbraw/zinc/50/05/48/968500548.db2.gz BBJZZWQHOSNSFG-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc[nH]c2=O)C[C@@H]1F ZINC001207002164 968538358 /nfs/dbraw/zinc/53/83/58/968538358.db2.gz SHIXZIABLOXAKS-JQWIXIFHSA-N 0 1 242.269 2.059 20 0 BEADMN CCOCCN[C@@H]1CCc2c1nccc2Cl ZINC000823330539 968543021 /nfs/dbraw/zinc/54/30/21/968543021.db2.gz CVVHZDWCAASQNK-LLVKDONJSA-N 0 1 240.734 2.348 20 0 BEADMN CCN(Cc1ccccn1)Cc1ccc[nH]c1=O ZINC001207005753 968543516 /nfs/dbraw/zinc/54/35/16/968543516.db2.gz SUDSIHLVUBOHMU-UHFFFAOYSA-N 0 1 243.310 2.204 20 0 BEADMN C[C@H]1CCN(Cc2ncccn2)[C@@H](C)C1 ZINC001207015106 968550664 /nfs/dbraw/zinc/55/06/64/968550664.db2.gz DQWHKAZFBIDVRT-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN Fc1ccc(CN2CCC3(CC3)C2)nc1 ZINC001207039121 968573947 /nfs/dbraw/zinc/57/39/47/968573947.db2.gz ZDQIPIQSEFYITL-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN C[C@@H]1CCN(Cc2ncc3ccccn32)C1 ZINC001207047871 968580112 /nfs/dbraw/zinc/58/01/12/968580112.db2.gz CIYCXTBWZNPGOB-LLVKDONJSA-N 0 1 215.300 2.176 20 0 BEADMN CCCC[C@H](O)CNCc1nc2ccccc2[nH]1 ZINC001252106557 968587621 /nfs/dbraw/zinc/58/76/21/968587621.db2.gz NRKVNGFNZZPYHO-NSHDSACASA-N 0 1 247.342 2.204 20 0 BEADMN COCCN(Cc1cnc(C)s1)C(C)C ZINC001207060842 968592638 /nfs/dbraw/zinc/59/26/38/968592638.db2.gz VJGHOKGHBMUUCS-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN C[C@@H]1CN(Cc2cccc(=O)[nH]2)CCC1(F)F ZINC001207064983 968595355 /nfs/dbraw/zinc/59/53/55/968595355.db2.gz HKNSPPWTFOEEPK-SECBINFHSA-N 0 1 242.269 2.264 20 0 BEADMN CCCC[C@@H](O)CNCOc1ccccc1 ZINC001252115177 968598183 /nfs/dbraw/zinc/59/81/83/968598183.db2.gz RGHYOOUDSZHHJH-GFCCVEGCSA-N 0 1 223.316 2.164 20 0 BEADMN CCc1nccc(CN2CCCC[C@H]2COC)n1 ZINC001207085315 968618208 /nfs/dbraw/zinc/61/82/08/968618208.db2.gz XXDDDLKZTFMCAJ-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1nccc(CN2CC[C@H](OC)C[C@H]2C)n1 ZINC001207090952 968622416 /nfs/dbraw/zinc/62/24/16/968622416.db2.gz MIYWZDUXOQHBOL-YPMHNXCESA-N 0 1 249.358 2.038 20 0 BEADMN CCn1nccc1-c1cc2nc[nH]c2cc1OC ZINC001240702547 968653329 /nfs/dbraw/zinc/65/33/29/968653329.db2.gz AFHOFEOCNYPUDK-UHFFFAOYSA-N 0 1 242.282 2.455 20 0 BEADMN Cc1ncccc1CN1CCc2ncccc2C1 ZINC001207150687 968661115 /nfs/dbraw/zinc/66/11/15/968661115.db2.gz DCNJIWCGVYXVPH-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN c1ccc(COCCN2CCCC23COC3)cc1 ZINC001207236150 968688205 /nfs/dbraw/zinc/68/82/05/968688205.db2.gz XWINFVZQGWVEFP-UHFFFAOYSA-N 0 1 247.338 2.068 20 0 BEADMN Cc1cncc(-c2cc3[nH]nnc3cc2F)c1 ZINC001240802875 968696479 /nfs/dbraw/zinc/69/64/79/968696479.db2.gz IXCBCFCRBHIYDW-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC1(C)C[C@H](C[N@H+]2C[C@H]3CC[C@@H]2CO3)CCO1 ZINC001207371504 968744497 /nfs/dbraw/zinc/74/44/97/968744497.db2.gz ORNUQQTYXIUPKK-JHJVBQTASA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@H]1COCCN1CCc1cccc(OC)c1 ZINC001207431802 968768034 /nfs/dbraw/zinc/76/80/34/968768034.db2.gz VHOBRBHXPNOXAH-AWEZNQCLSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CCN2CCOC3(CC3)C2)c1 ZINC001207434246 968771319 /nfs/dbraw/zinc/77/13/19/968771319.db2.gz FWZHSKDFKOUQRY-UHFFFAOYSA-N 0 1 247.338 2.103 20 0 BEADMN CC(=O)CN(C)CCCc1ccccc1F ZINC001207490842 968804041 /nfs/dbraw/zinc/80/40/41/968804041.db2.gz YYCCTURLSCLQEK-UHFFFAOYSA-N 0 1 223.291 2.279 20 0 BEADMN Fc1ccccc1CCN1CC2(CSC2)C1 ZINC001207502641 968806452 /nfs/dbraw/zinc/80/64/52/968806452.db2.gz ARKNCHOKVLRAKD-UHFFFAOYSA-N 0 1 237.343 2.417 20 0 BEADMN CCCn1cncc1CN(C)CCCF ZINC001207594629 968825898 /nfs/dbraw/zinc/82/58/98/968825898.db2.gz BXRDCSSEEBRDJH-UHFFFAOYSA-N 0 1 213.300 2.085 20 0 BEADMN COc1cc(-c2ncnc3c2CNC3)ccc1C ZINC001241032924 968868504 /nfs/dbraw/zinc/86/85/04/968868504.db2.gz XYMUFFWCAAFZNI-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H](C)[C@H]2C)[nH]1 ZINC001252711944 968924759 /nfs/dbraw/zinc/92/47/59/968924759.db2.gz DWNCTRNUVUYHBA-NXEZZACHSA-N 0 1 235.331 2.404 20 0 BEADMN Cc1cccc2c1CN(C[C@H]1COC(C)(C)O1)C2 ZINC001207919635 968930687 /nfs/dbraw/zinc/93/06/87/968930687.db2.gz CRQZNWHGPIZCOS-ZDUSSCGKSA-N 0 1 247.338 2.462 20 0 BEADMN CCC[C@@H](O)CNc1ccc2c[nH]nc2c1 ZINC001252773408 968941990 /nfs/dbraw/zinc/94/19/90/968941990.db2.gz XPLIKBIRANDGBX-LLVKDONJSA-N 0 1 219.288 2.136 20 0 BEADMN F[C@H]1CSC2(CN(C[C@H]3CCCCO3)C2)C1 ZINC001207958421 968953626 /nfs/dbraw/zinc/95/36/26/968953626.db2.gz CKXBHDWDNHUUQB-GHMZBOCLSA-N 0 1 245.363 2.085 20 0 BEADMN CCC[C@@H](O)CNCc1c(F)cc(F)cc1F ZINC001252800195 968984809 /nfs/dbraw/zinc/98/48/09/968984809.db2.gz GOOXASQUYJMPKF-SECBINFHSA-N 0 1 247.260 2.355 20 0 BEADMN C(CC1CCCC1)CN1C[C@@H]2C[C@H]1CO2 ZINC001208091605 968995414 /nfs/dbraw/zinc/99/54/14/968995414.db2.gz NBFQINDGYOVIME-STQMWFEESA-N 0 1 209.333 2.430 20 0 BEADMN CCCNc1cc(C)nc(C2=CCCN(C)C2)n1 ZINC001241566344 969052482 /nfs/dbraw/zinc/05/24/82/969052482.db2.gz UVJGPORPZAHADP-UHFFFAOYSA-N 0 1 246.358 2.326 20 0 BEADMN Cc1ncn(C)c1NC[C@@](C)(O)c1ccccc1 ZINC001253096184 969080763 /nfs/dbraw/zinc/08/07/63/969080763.db2.gz ZQINSVCTEBLDFN-CQSZACIVSA-N 0 1 245.326 2.048 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208182915 969112606 /nfs/dbraw/zinc/11/26/06/969112606.db2.gz WDKBHNXJROYYMV-AVGNSLFASA-N 0 1 239.359 2.472 20 0 BEADMN COC(C)(C)CCC[C@@H](C)CCN1CC(O)C1 ZINC001208201470 969126873 /nfs/dbraw/zinc/12/68/73/969126873.db2.gz DGOBDZZZLURPAV-GFCCVEGCSA-N 0 1 243.391 2.284 20 0 BEADMN CCS(=O)(=O)Nc1cc(C(C)(C)C)ns1 ZINC001253284943 969129723 /nfs/dbraw/zinc/12/97/23/969129723.db2.gz VJAZBEJOXTXIHL-UHFFFAOYSA-N 0 1 248.373 2.202 20 0 BEADMN Cc1nnc(-c2n[nH]c3c2cccc3F)o1 ZINC001253381683 969144527 /nfs/dbraw/zinc/14/45/27/969144527.db2.gz DDUXMLPCTVQIGZ-UHFFFAOYSA-N 0 1 218.191 2.060 20 0 BEADMN Cc1nnc(-c2ccc3[nH]nc(C)c3c2)o1 ZINC001253387693 969151545 /nfs/dbraw/zinc/15/15/45/969151545.db2.gz RRZSWCPJNHCCBJ-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CC(C)c1nc(CN[C@H](CO)C2CC2)cs1 ZINC000381453123 969161242 /nfs/dbraw/zinc/16/12/42/969161242.db2.gz IEXLJJAMWCYGEK-LLVKDONJSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@H](CCN1CCO[C@@H](CO)C1)CC(C)(C)C ZINC001208652618 969181048 /nfs/dbraw/zinc/18/10/48/969181048.db2.gz CYMSHMOUVBLTLR-CHWSQXEVSA-N 0 1 243.391 2.142 20 0 BEADMN O=c1ccc(-c2nccc3[nH]ccc32)c[nH]1 ZINC001242059074 969188621 /nfs/dbraw/zinc/18/86/21/969188621.db2.gz CXINYQQDFVAERU-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CCCCC[C@H](O)CN1CCOC(C)(C)C1 ZINC001253518446 969195962 /nfs/dbraw/zinc/19/59/62/969195962.db2.gz KWNRQDHPYUBQEZ-LBPRGKRZSA-N 0 1 229.364 2.038 20 0 BEADMN CCCCC[C@H](O)CNc1n[nH]c2cccnc21 ZINC001253519388 969197386 /nfs/dbraw/zinc/19/73/86/969197386.db2.gz DTQSMTXOGCUJIM-JTQLQIEISA-N 0 1 248.330 2.311 20 0 BEADMN CCN(C[C@H](C)OCc1ccccc1)C1COC1 ZINC001208702597 969199131 /nfs/dbraw/zinc/19/91/31/969199131.db2.gz NGLWXVHUXBAGML-ZDUSSCGKSA-N 0 1 249.354 2.312 20 0 BEADMN Cc1noc(C)c1-c1cncc2[nH]cnc21 ZINC001242106710 969205422 /nfs/dbraw/zinc/20/54/22/969205422.db2.gz MTAOVGYXOQJLRT-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN Cc1noc(C)c1-c1cncc2nc[nH]c21 ZINC001242106710 969205426 /nfs/dbraw/zinc/20/54/26/969205426.db2.gz MTAOVGYXOQJLRT-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCCCC[C@H](O)CN1CCO[C@@H](C(C)C)C1 ZINC001253537884 969213895 /nfs/dbraw/zinc/21/38/95/969213895.db2.gz MLLGBEXTUQVJFU-UONOGXRCSA-N 0 1 243.391 2.284 20 0 BEADMN CCCCC[C@H](O)CNc1ccc2nn[nH]c2c1 ZINC001253543471 969218186 /nfs/dbraw/zinc/21/81/86/969218186.db2.gz DFDNXHRPKZFYCI-NSHDSACASA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@H](O)CNc1ccc2n[nH]nc2c1 ZINC001253543471 969218201 /nfs/dbraw/zinc/21/82/01/969218201.db2.gz DFDNXHRPKZFYCI-NSHDSACASA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@@H](O)CN[C@@H](C)c1ccno1 ZINC001253563265 969232693 /nfs/dbraw/zinc/23/26/93/969232693.db2.gz JVUAQARBCRFJBM-WDEREUQCSA-N 0 1 226.320 2.266 20 0 BEADMN Oc1cc(F)ccc1-c1ncnc2c1COCC2 ZINC001242215485 969254242 /nfs/dbraw/zinc/25/42/42/969254242.db2.gz AAJURHWMNIXJHC-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN c1cnc2c(c1)CN(C[C@H]1CCC=CO1)CC2 ZINC001208880162 969268548 /nfs/dbraw/zinc/26/85/48/969268548.db2.gz JHAZAVMRVQEQTO-CYBMUJFWSA-N 0 1 230.311 2.132 20 0 BEADMN CC(=O)[C@H]1CCCCN1C[C@H]1CCC=CO1 ZINC001208883033 969269424 /nfs/dbraw/zinc/26/94/24/969269424.db2.gz QSWXPVDRCBOYCB-CHWSQXEVSA-N 0 1 223.316 2.123 20 0 BEADMN CCC(=O)C(C)(C)C[N@H+]1CCc2ncccc2C1 ZINC001208917493 969300827 /nfs/dbraw/zinc/30/08/27/969300827.db2.gz ZWJWKDMDTQKGKC-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN CCC(=O)C(C)(C)CN1CCc2ncccc2C1 ZINC001208917493 969300832 /nfs/dbraw/zinc/30/08/32/969300832.db2.gz ZWJWKDMDTQKGKC-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN CCC(=O)C(C)(C)CN1CCOC[C@@H]1CC ZINC001208921277 969306738 /nfs/dbraw/zinc/30/67/38/969306738.db2.gz ZNVDVYBKPOZBLG-NSHDSACASA-N 0 1 227.348 2.103 20 0 BEADMN Cc1cnc(CN)n1-c1c2cc[nH]c2ccc1C ZINC001169027632 969344753 /nfs/dbraw/zinc/34/47/53/969344753.db2.gz ARVXEMXSOPAXAR-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN CCOc1ccc(-n2c(C)cnc2CN)cc1 ZINC001169028047 969347001 /nfs/dbraw/zinc/34/70/01/969347001.db2.gz GPUUAVWRJQAFOV-UHFFFAOYSA-N 0 1 231.299 2.038 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2ccncc2c1 ZINC001169028549 969349160 /nfs/dbraw/zinc/34/91/60/969349160.db2.gz LGRRBECAUHNJJU-UHFFFAOYSA-N 0 1 238.294 2.188 20 0 BEADMN Cc1cnc(CN)n1-c1cccc2c1CC=C2 ZINC001169029457 969349210 /nfs/dbraw/zinc/34/92/10/969349210.db2.gz QPYFGOPBFVHUII-UHFFFAOYSA-N 0 1 225.295 2.209 20 0 BEADMN CN(CCc1cc(F)cc(F)c1)C1(C)COC1 ZINC001209141128 969357760 /nfs/dbraw/zinc/35/77/60/969357760.db2.gz SZVNZPMWQKCMGH-UHFFFAOYSA-N 0 1 241.281 2.228 20 0 BEADMN Cc1ccc(C(=O)CNC[C@H](O)C(C)(C)C)cc1 ZINC001253745173 969364387 /nfs/dbraw/zinc/36/43/87/969364387.db2.gz HPDUOWRSTDQVOE-AWEZNQCLSA-N 0 1 249.354 2.174 20 0 BEADMN COc1ccc2[nH]c(NC[C@@H](O)C(C)C)nc2c1 ZINC001253752195 969369235 /nfs/dbraw/zinc/36/92/35/969369235.db2.gz BWRRCOVDQJKABJ-GFCCVEGCSA-N 0 1 249.314 2.000 20 0 BEADMN C[C@H]1CN(CCCc2cccnc2)CCCC1=O ZINC001209172478 969372687 /nfs/dbraw/zinc/37/26/87/969372687.db2.gz PRMOTOXDXRLDKD-ZDUSSCGKSA-N 0 1 246.354 2.315 20 0 BEADMN CN(CCCc1cccnc1)Cc1ccno1 ZINC001209183687 969374981 /nfs/dbraw/zinc/37/49/81/969374981.db2.gz FOPLYLHQTDYCJG-UHFFFAOYSA-N 0 1 231.299 2.134 20 0 BEADMN c1cc(CCCN2CCCCC23COC3)ccn1 ZINC001209190557 969377469 /nfs/dbraw/zinc/37/74/69/969377469.db2.gz WVEQQWYXVWPCCS-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN CN(CCCc1ccncc1)Cc1ccno1 ZINC001209189783 969377942 /nfs/dbraw/zinc/37/79/42/969377942.db2.gz UXBDSUDLVQFWOC-UHFFFAOYSA-N 0 1 231.299 2.134 20 0 BEADMN Cc1nc2cc(NC[C@@H](O)C(C)C)ccc2[nH]1 ZINC001253768160 969389544 /nfs/dbraw/zinc/38/95/44/969389544.db2.gz CSHJJZACRGJMDH-CYBMUJFWSA-N 0 1 233.315 2.300 20 0 BEADMN Cc1[nH]nc2cc(NC[C@@H](O)C(C)C)ccc12 ZINC001253771703 969391852 /nfs/dbraw/zinc/39/18/52/969391852.db2.gz OEWOKTDRYNJWQW-CYBMUJFWSA-N 0 1 233.315 2.300 20 0 BEADMN Cc1ccc(F)c(CNC[C@@H](O)C(C)C)c1F ZINC001253776396 969396970 /nfs/dbraw/zinc/39/69/70/969396970.db2.gz FYKBIAIJGCZHGG-GFCCVEGCSA-N 0 1 243.297 2.380 20 0 BEADMN c1ccc(OCCN2CC3(C2)CCCOC3)cc1 ZINC001209295986 969422199 /nfs/dbraw/zinc/42/21/99/969422199.db2.gz UPPCDSVRIMHPIC-UHFFFAOYSA-N 0 1 247.338 2.178 20 0 BEADMN CCCc1nnc([C@@H]2CCCc3[nH]cnc32)o1 ZINC001253962971 969431834 /nfs/dbraw/zinc/43/18/34/969431834.db2.gz OWHAGRAQYJOARL-MRVPVSSYSA-N 0 1 232.287 2.213 20 0 BEADMN CS[C@@H]1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC001254018661 969450597 /nfs/dbraw/zinc/45/05/97/969450597.db2.gz NOMGHCJHWMITDB-NWDGAFQWSA-N 0 1 239.388 2.136 20 0 BEADMN Cc1cccc2c1CN(CC1=NOCC1)CC2 ZINC001169232882 969514540 /nfs/dbraw/zinc/51/45/40/969514540.db2.gz KRACIRYBXPBECC-UHFFFAOYSA-N 0 1 230.311 2.129 20 0 BEADMN Cc1ccc2[nH]cc(CN3CC(C)(CO)C3)c2c1 ZINC001209491819 969525002 /nfs/dbraw/zinc/52/50/02/969525002.db2.gz YSJRAHDQNHSQGO-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN c1nc(CN2CC3CC(C3)C2)cc2c1OCCC2 ZINC001209511169 969529226 /nfs/dbraw/zinc/52/92/26/969529226.db2.gz QGKQCBHPOCZXSB-UHFFFAOYSA-N 0 1 244.338 2.248 20 0 BEADMN CCN1CCN(Cc2cncs2)C(C)(C)C1 ZINC001209551727 969539224 /nfs/dbraw/zinc/53/92/24/969539224.db2.gz GHQXNRYTTVEYRB-UHFFFAOYSA-N 0 1 239.388 2.059 20 0 BEADMN C[C@H]1CN(C2CCC(F)(F)CC2)CCO1 ZINC001254218460 969541608 /nfs/dbraw/zinc/54/16/08/969541608.db2.gz HXMMGXZSYMHYSL-VIFPVBQESA-N 0 1 219.275 2.285 20 0 BEADMN Cc1cc(CNc2nnc(CCC(C)C)o2)n[nH]1 ZINC001254246698 969551549 /nfs/dbraw/zinc/55/15/49/969551549.db2.gz TYGUWDJWGBGZSL-UHFFFAOYSA-N 0 1 249.318 2.302 20 0 BEADMN c1cc(CN(C2CCC2)C2CCOCC2)no1 ZINC001209570510 969554955 /nfs/dbraw/zinc/55/49/55/969554955.db2.gz WOBXUCZMZYANOJ-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CCOC[C@H]1C ZINC001209584612 969561220 /nfs/dbraw/zinc/56/12/20/969561220.db2.gz GGSDAJGPCSMFCZ-SNVBAGLBSA-N 0 1 245.326 2.092 20 0 BEADMN C[C@H](NCC1=NOCC1)c1cccs1 ZINC001169315154 969562110 /nfs/dbraw/zinc/56/21/10/969562110.db2.gz HLRBYJAWCLMWNU-QMMMGPOBSA-N 0 1 210.302 2.175 20 0 BEADMN COc1cc(CN2CCCCC2)cnc1OC ZINC001209612486 969567678 /nfs/dbraw/zinc/56/76/78/969567678.db2.gz DBPFTZZZEZXRST-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN CN(Cc1cccc(F)c1)Cc1cnccc1N ZINC001209730090 969586453 /nfs/dbraw/zinc/58/64/53/969586453.db2.gz SLHHAPWLBSXAKN-UHFFFAOYSA-N 0 1 245.301 2.265 20 0 BEADMN Cc1cc([C@H]2CCCN2[C@H]2CCCOC2)no1 ZINC001254376007 969591947 /nfs/dbraw/zinc/59/19/47/969591947.db2.gz UQXOQJIVMHZMJA-WCQYABFASA-N 0 1 236.315 2.299 20 0 BEADMN Cc1cc([C@H]2CCCN2[C@@H]2CCCOC2)no1 ZINC001254376004 969592888 /nfs/dbraw/zinc/59/28/88/969592888.db2.gz UQXOQJIVMHZMJA-DGCLKSJQSA-N 0 1 236.315 2.299 20 0 BEADMN FC1CN(Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209752004 969601479 /nfs/dbraw/zinc/60/14/79/969601479.db2.gz ZOFTYGBGAGIJCI-UHFFFAOYSA-N 0 1 239.681 2.370 20 0 BEADMN c1coc(CN(C2CC2)[C@@H]2CCCOC2)c1 ZINC001254385615 969601855 /nfs/dbraw/zinc/60/18/55/969601855.db2.gz HHFBFBLOZRSOKB-GFCCVEGCSA-N 0 1 221.300 2.423 20 0 BEADMN c1[nH]nc(-c2ccccc2)c1CN1CCC1 ZINC001209759459 969604281 /nfs/dbraw/zinc/60/42/81/969604281.db2.gz ZHOSFORRMAZKTD-UHFFFAOYSA-N 0 1 213.284 2.282 20 0 BEADMN c1ccn(CCNc2ccc3c(n2)CCC3)c1 ZINC001156300298 969608778 /nfs/dbraw/zinc/60/87/78/969608778.db2.gz RMXGGQSMAGLYBM-UHFFFAOYSA-N 0 1 227.311 2.484 20 0 BEADMN CCOc1ccnc(NCCn2cccc2)c1 ZINC001156299386 969609567 /nfs/dbraw/zinc/60/95/67/969609567.db2.gz LRZLFTMKPIXSCS-UHFFFAOYSA-N 0 1 231.299 2.394 20 0 BEADMN O=c1cc(Nc2ncccc2F)nc(Cl)[nH]1 ZINC001209806418 969631228 /nfs/dbraw/zinc/63/12/28/969631228.db2.gz RFCRKWYZIIKXCY-UHFFFAOYSA-N 0 1 240.625 2.113 20 0 BEADMN Cn1ncc2c1CN(C1CCC3(CC3)CC1)C2 ZINC001254448299 969639849 /nfs/dbraw/zinc/63/98/49/969639849.db2.gz RENPKMPCAQDKTO-UHFFFAOYSA-N 0 1 231.343 2.459 20 0 BEADMN NCc1nccn1C1CCc2ccccc2CC1 ZINC001254448973 969640760 /nfs/dbraw/zinc/64/07/60/969640760.db2.gz JFUMSZINZQKVTL-UHFFFAOYSA-N 0 1 241.338 2.462 20 0 BEADMN COc1cncc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209843051 969651166 /nfs/dbraw/zinc/65/11/66/969651166.db2.gz UOKWZYQYQJVNEN-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cncnc1Nc1ccc2nc[nH]c2c1 ZINC001209848437 969661293 /nfs/dbraw/zinc/66/12/93/969661293.db2.gz LISLCEWOQCQLQN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CC[C@H](C)[C@@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001169508351 969693481 /nfs/dbraw/zinc/69/34/81/969693481.db2.gz ZDNIMMMQWAAWNM-DMDPSCGWSA-N 0 1 239.359 2.101 20 0 BEADMN CO[C@@H](C)c1cccc(-n2cnc(C)c2N)c1 ZINC001209951830 969711931 /nfs/dbraw/zinc/71/19/31/969711931.db2.gz YJEHDZDQASACNF-JTQLQIEISA-N 0 1 231.299 2.470 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cccn1C1CC1 ZINC001329612907 969713525 /nfs/dbraw/zinc/71/35/25/969713525.db2.gz QHZISVGESFIALR-ZWNOBZJWSA-N 0 1 248.326 2.261 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc2nccn21 ZINC001209961555 969720381 /nfs/dbraw/zinc/72/03/81/969720381.db2.gz LESCBIXOEZCGOO-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(C2CC2)nn1C ZINC001209962676 969724315 /nfs/dbraw/zinc/72/43/15/969724315.db2.gz YGHPHYBGLAENHK-UHFFFAOYSA-N 0 1 243.314 2.327 20 0 BEADMN Cc1cc(N)ncc1Nc1c(C)ncnc1C ZINC001209965318 969726480 /nfs/dbraw/zinc/72/64/80/969726480.db2.gz QMYACVROJQAIGM-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(Cl)cc1N ZINC001209966713 969729187 /nfs/dbraw/zinc/72/91/87/969729187.db2.gz DJWBIADLDRBHNW-UHFFFAOYSA-N 0 1 249.705 2.346 20 0 BEADMN CSc1cc(Nc2cnc(N)cc2C)nn1C ZINC001209966687 969729208 /nfs/dbraw/zinc/72/92/08/969729208.db2.gz IWNKWWUYTCVANM-UHFFFAOYSA-N 0 1 249.343 2.171 20 0 BEADMN Cc1cc(N)ncc1Nc1cc([C@H](C)O)ccn1 ZINC001209965883 969731208 /nfs/dbraw/zinc/73/12/08/969731208.db2.gz JEIGHKIVBHQKTH-VIFPVBQESA-N 0 1 244.298 2.164 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(F)nc1F ZINC001209966979 969731543 /nfs/dbraw/zinc/73/15/43/969731543.db2.gz KNQMPRZXTGHLSY-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN C[C@H](Nc1cccn2cncc12)c1cnccn1 ZINC001169536114 969733197 /nfs/dbraw/zinc/73/31/97/969733197.db2.gz DJQFFDNGKNYLOU-JTQLQIEISA-N 0 1 239.282 2.297 20 0 BEADMN Cc1c(C(=O)N2CCC[C@H]2C)ccc2cncn21 ZINC001254535534 969735894 /nfs/dbraw/zinc/73/58/94/969735894.db2.gz FHINFCHWBIBXTN-SNVBAGLBSA-N 0 1 243.310 2.267 20 0 BEADMN CCOc1cc(Nc2cnc(N)cc2C)no1 ZINC001209968408 969737876 /nfs/dbraw/zinc/73/78/76/969737876.db2.gz ZDHCUVLCEKYZAN-UHFFFAOYSA-N 0 1 234.259 2.103 20 0 BEADMN COc1ccc(Nc2cnc(N)cc2C)c(C)n1 ZINC001209968523 969738444 /nfs/dbraw/zinc/73/84/44/969738444.db2.gz USIGYMXWBGOACQ-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Nc1cncn1-c1cc(C(F)(F)F)ccc1O ZINC001209979497 969747162 /nfs/dbraw/zinc/74/71/62/969747162.db2.gz FDFQKSTYIVYLKT-UHFFFAOYSA-N 0 1 243.188 2.179 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)OCCCO2 ZINC001209999415 969756246 /nfs/dbraw/zinc/75/62/46/969756246.db2.gz MBUHRWRZWCJGDS-UHFFFAOYSA-N 0 1 245.282 2.325 20 0 BEADMN CC[N@H+](CCC(=O)[O-])Cc1ncoc1C(C)C ZINC001326830108 1169940960 /nfs/dbraw/zinc/94/09/60/1169940960.db2.gz OHGSUNUCOYQERY-UHFFFAOYSA-N 0 1 240.303 2.095 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ncoc1C(C)C ZINC001326830108 1169940965 /nfs/dbraw/zinc/94/09/65/1169940965.db2.gz OHGSUNUCOYQERY-UHFFFAOYSA-N 0 1 240.303 2.095 20 0 BEADMN c1ccc(COC2CN(C3CCOCC3)C2)cc1 ZINC001255048123 969866910 /nfs/dbraw/zinc/86/69/10/969866910.db2.gz UIXCAJXJJVXTGX-UHFFFAOYSA-N 0 1 247.338 2.066 20 0 BEADMN Cc1ncn(-c2ccc(OC(F)F)cc2)c1N ZINC001210325615 969868789 /nfs/dbraw/zinc/86/87/89/969868789.db2.gz NEWWGCNKYFMDBA-UHFFFAOYSA-N 0 1 239.225 2.364 20 0 BEADMN CC(C)n1ccc(Nc2cnns2)n1 ZINC001210342303 969870580 /nfs/dbraw/zinc/87/05/80/969870580.db2.gz WICOCJSGWITDFV-UHFFFAOYSA-N 0 1 209.278 2.059 20 0 BEADMN Cc1ncc(Nc2ccn(C(C)C)n2)n1C ZINC001210344551 969872459 /nfs/dbraw/zinc/87/24/59/969872459.db2.gz KVOMMSDROMAZSD-UHFFFAOYSA-N 0 1 219.292 2.250 20 0 BEADMN c1ccc(C2(NC3CCSCC3)COC2)cc1 ZINC001255081628 969875208 /nfs/dbraw/zinc/87/52/08/969875208.db2.gz PBCVRJFRKUPVIV-UHFFFAOYSA-N 0 1 249.379 2.397 20 0 BEADMN NC(=O)c1ncc(NC2=CCCCCCC2)cn1 ZINC001210448375 969890409 /nfs/dbraw/zinc/89/04/09/969890409.db2.gz GRFXQKIFQCMXHP-UHFFFAOYSA-N 0 1 246.314 2.226 20 0 BEADMN CC(C)n1ccc(-c2cccc3[nH]nnc32)n1 ZINC001242454668 969950907 /nfs/dbraw/zinc/95/09/07/969950907.db2.gz KRORDFSWUUUTCC-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN Cn1ccnc1Nc1cccnc1OC(F)F ZINC001210623442 969983568 /nfs/dbraw/zinc/98/35/68/969983568.db2.gz LOXXIYMKDHPFNN-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cc1ccc(C2(N[C@H]3CCSC3)COC2)cc1 ZINC001255271162 970023099 /nfs/dbraw/zinc/02/30/99/970023099.db2.gz UYDRTTQFIIGMGX-ZDUSSCGKSA-N 0 1 249.379 2.316 20 0 BEADMN CC(C)Cn1cnc(CN[C@@H]2CCSC2)c1 ZINC001255275641 970026050 /nfs/dbraw/zinc/02/60/50/970026050.db2.gz MEGDMMXQRNYXGJ-LLVKDONJSA-N 0 1 239.388 2.134 20 0 BEADMN c1nc(CN[C@H]2CCSC2)cn1C1CCC1 ZINC001255275945 970027150 /nfs/dbraw/zinc/02/71/50/970027150.db2.gz OETBAEIYZHUIIK-JTQLQIEISA-N 0 1 237.372 2.203 20 0 BEADMN C[C@]1(F)CCN([C@@H]2CCSC2)C[C@H]1F ZINC001255281879 970038349 /nfs/dbraw/zinc/03/83/49/970038349.db2.gz GSJSETCUKPXGEZ-BBBLOLIVSA-N 0 1 221.316 2.264 20 0 BEADMN c1nnc(Nc2ccccc2OC2CC2)o1 ZINC001210835203 970047536 /nfs/dbraw/zinc/04/75/36/970047536.db2.gz PJQSPMHWULVPAX-UHFFFAOYSA-N 0 1 217.228 2.354 20 0 BEADMN COc1c(F)cc(F)cc1Nc1nccn1C ZINC001210864286 970056109 /nfs/dbraw/zinc/05/61/09/970056109.db2.gz FRGDGGMRHRHSDX-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)c(N)c(F)c1 ZINC001210906799 970065787 /nfs/dbraw/zinc/06/57/87/970065787.db2.gz XXIUNXXOTQIZPX-UHFFFAOYSA-N 0 1 238.241 2.333 20 0 BEADMN CCCn1nccc1-n1c(N)nc2ccccc21 ZINC001210912894 970067383 /nfs/dbraw/zinc/06/73/83/970067383.db2.gz PHXWPRBXXZHIKD-UHFFFAOYSA-N 0 1 241.298 2.214 20 0 BEADMN Cc1ncn(C)c1Nc1c[nH]c2ncccc12 ZINC001210937023 970071731 /nfs/dbraw/zinc/07/17/31/970071731.db2.gz OSRGFCMJPRPMPC-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN c1[nH]c2ncccc2c1Nc1ccncc1 ZINC001210939439 970074905 /nfs/dbraw/zinc/07/49/05/970074905.db2.gz ZQDCTOLOVVNIDL-UHFFFAOYSA-N 0 1 210.240 2.123 20 0 BEADMN CCCCc1cccc(NC[C@H]2COCCN2)c1 ZINC001170047539 970083186 /nfs/dbraw/zinc/08/31/86/970083186.db2.gz NBIMKOPZASFTQA-HNNXBMFYSA-N 0 1 248.370 2.430 20 0 BEADMN CCCC(=O)N1CCN(CCCCCF)CC1 ZINC001112597191 970101505 /nfs/dbraw/zinc/10/15/05/970101505.db2.gz LFUSNRQVIDFPAM-UHFFFAOYSA-N 0 1 244.354 2.071 20 0 BEADMN CCOC(=O)[C@@H]1CCC[C@H](N2CC[C@H](F)C2)C1 ZINC001255356221 970123050 /nfs/dbraw/zinc/12/30/50/970123050.db2.gz GLSIYKPHGMOTTO-WOPDTQHZSA-N 0 1 243.322 2.152 20 0 BEADMN COc1ncc(Nc2cncn2C)cc1Cl ZINC001211046769 970130661 /nfs/dbraw/zinc/13/06/61/970130661.db2.gz PHEZWYIROOKFTQ-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)c(C)n1 ZINC001211040672 970132140 /nfs/dbraw/zinc/13/21/40/970132140.db2.gz AYWHXVGUKPIKLH-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN CCOc1ccc(F)c(-n2cnc(C)c2N)c1 ZINC001211053495 970132980 /nfs/dbraw/zinc/13/29/80/970132980.db2.gz WRLDEBIIXWGXQG-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CN(C)Cc1ccc(-c2ccncn2)cc1F ZINC001242919216 970153126 /nfs/dbraw/zinc/15/31/26/970153126.db2.gz KWKMOERISJUVTO-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN COC(=O)c1ccc(Nc2cncn2C)cc1C ZINC001211169417 970165808 /nfs/dbraw/zinc/16/58/08/970165808.db2.gz XTXPKVOPCITZBE-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN CCc1coc(CNC2CCC(OC)CC2)n1 ZINC001255443636 970177181 /nfs/dbraw/zinc/17/71/81/970177181.db2.gz ZDUWGHFDSYQHCN-UHFFFAOYSA-N 0 1 238.331 2.284 20 0 BEADMN CC(C)CCC[C@@H](C)N1CC(=O)N[C@H](C)C1 ZINC001170078540 970181678 /nfs/dbraw/zinc/18/16/78/970181678.db2.gz UEMWAODVEGHJNN-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN COc1cnc(Cl)c(Nc2cncn2C)c1 ZINC001211246537 970192240 /nfs/dbraw/zinc/19/22/40/970192240.db2.gz CYCRIMSWBQPTAD-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1cc(-c2ccco2)no1 ZINC001211247038 970192347 /nfs/dbraw/zinc/19/23/47/970192347.db2.gz FSYMFSVZOJQNEB-UHFFFAOYSA-N 0 1 230.227 2.412 20 0 BEADMN CCOc1ncc(Nc2cncn2C)cc1F ZINC001211246461 970192565 /nfs/dbraw/zinc/19/25/65/970192565.db2.gz BNGRLLDXUWJEQR-UHFFFAOYSA-N 0 1 236.250 2.097 20 0 BEADMN Cn1cncc1Nc1cc(F)c(F)cc1N ZINC001211248768 970196714 /nfs/dbraw/zinc/19/67/14/970196714.db2.gz FCMNYWBNZXVCDV-UHFFFAOYSA-N 0 1 224.214 2.024 20 0 BEADMN CCN(C)c1ccc(Nc2cncn2C)cn1 ZINC001211248901 970196562 /nfs/dbraw/zinc/19/65/62/970196562.db2.gz RVNMHXJBUQICPO-UHFFFAOYSA-N 0 1 231.303 2.015 20 0 BEADMN COc1cnccc1Nc1cnccc1Cl ZINC001211256809 970197360 /nfs/dbraw/zinc/19/73/60/970197360.db2.gz BCNCOMJLYGFQIV-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCNC(=O)C1(C)C ZINC001170084378 970199825 /nfs/dbraw/zinc/19/98/25/970199825.db2.gz XLJRYRZYZPHFSN-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CC(=O)[C@H](N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001255469968 970199689 /nfs/dbraw/zinc/19/96/89/970199689.db2.gz HNSXLISGQYMJRN-CABCVRRESA-N 0 1 246.354 2.001 20 0 BEADMN Cn1cncc1Nc1cccc2c1ncn2C ZINC001211252651 970201354 /nfs/dbraw/zinc/20/13/54/970201354.db2.gz SJGFKNGSXBALBT-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN COc1cnccc1Nc1ccccc1N(C)C ZINC001211260373 970203569 /nfs/dbraw/zinc/20/35/69/970203569.db2.gz LSZGXVUYVHQTPI-UHFFFAOYSA-N 0 1 243.310 2.322 20 0 BEADMN COc1cnccc1Nc1cccc(C(C)=O)c1 ZINC001211260080 970204555 /nfs/dbraw/zinc/20/45/55/970204555.db2.gz HQTDHOHLIKTCFM-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN COc1cnccc1Nc1c(C)cccc1N ZINC001211263699 970208571 /nfs/dbraw/zinc/20/85/71/970208571.db2.gz ZROMHBLXMKENGU-UHFFFAOYSA-N 0 1 229.283 2.146 20 0 BEADMN COc1cnccc1Nc1ccc(N)cc1Cl ZINC001211263571 970213986 /nfs/dbraw/zinc/21/39/86/970213986.db2.gz WBYRFOIWPQNAFP-UHFFFAOYSA-N 0 1 249.701 2.491 20 0 BEADMN Cc1ncn(-c2cc3ccccc3[nH]2)c1N ZINC001211308110 970232351 /nfs/dbraw/zinc/23/23/51/970232351.db2.gz VUZVQUTYPVHURB-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN C[C@H]1CC[C@H](NCc2nccnc2Cl)C1 ZINC001170090867 970236249 /nfs/dbraw/zinc/23/62/49/970236249.db2.gz AKZJVTONRFVUCY-IUCAKERBSA-N 0 1 225.723 2.408 20 0 BEADMN CC(C)CCC[C@H](C)N1CCN(C#N)CC1 ZINC001170092044 970240568 /nfs/dbraw/zinc/24/05/68/970240568.db2.gz XWRCQQGHYHJIEZ-ZDUSSCGKSA-N 0 1 223.364 2.300 20 0 BEADMN CCCOc1ccccc1Nc1nonc1N ZINC001211378456 970253255 /nfs/dbraw/zinc/25/32/55/970253255.db2.gz RYVLANJVLMRCOY-UHFFFAOYSA-N 0 1 234.259 2.184 20 0 BEADMN CC(C)COc1ccccc1-n1cncc1N ZINC001213251736 970293395 /nfs/dbraw/zinc/29/33/95/970293395.db2.gz FTGUPTOGNKUWMA-UHFFFAOYSA-N 0 1 231.299 2.489 20 0 BEADMN CC1(C)C[C@H](NC2(c3ncccn3)CC2)CCO1 ZINC001255533037 970298213 /nfs/dbraw/zinc/29/82/13/970298213.db2.gz SAOVXICABRHPGS-LLVKDONJSA-N 0 1 247.342 2.013 20 0 BEADMN CC1(C)C[C@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001255536929 970305604 /nfs/dbraw/zinc/30/56/04/970305604.db2.gz RTFIVBOOAVWVHG-AXFHLTTASA-N 0 1 233.302 2.326 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])C/C(Cl)=C\Cl ZINC000211384181 970310871 /nfs/dbraw/zinc/31/08/71/970310871.db2.gz HTRWSAXYSUTNGU-FPYGCLRLSA-N 0 1 240.130 2.348 20 0 BEADMN CN(Cc1ccon1)[C@@H]1CCOC(C)(C)C1 ZINC001255545955 970317232 /nfs/dbraw/zinc/31/72/32/970317232.db2.gz LMMAJOVCKHUGBI-LLVKDONJSA-N 0 1 224.304 2.064 20 0 BEADMN COC[C@@H](C)NCc1cc(F)cc(F)c1F ZINC001255553817 970330752 /nfs/dbraw/zinc/33/07/52/970330752.db2.gz CCCLXGXLAXQAFW-SSDOTTSWSA-N 0 1 233.233 2.228 20 0 BEADMN C[C@@H]1CC[C@@H](NC2(c3ncccn3)CC2)C1 ZINC001170115667 970334041 /nfs/dbraw/zinc/33/40/41/970334041.db2.gz AHSFHLQXFRBBSF-GHMZBOCLSA-N 0 1 217.316 2.244 20 0 BEADMN C[C@H]1CC[C@@H](n2c(CN)nc3cnccc32)C1 ZINC001170119465 970345948 /nfs/dbraw/zinc/34/59/48/970345948.db2.gz BGECOPVQBGETOZ-VHSXEESVSA-N 0 1 230.315 2.251 20 0 BEADMN Cc1cncc(Nc2ccnc(CO)c2)c1C ZINC001213524882 970347815 /nfs/dbraw/zinc/34/78/15/970347815.db2.gz HWNOTRCQSVSPCR-UHFFFAOYSA-N 0 1 229.283 2.329 20 0 BEADMN Cc1nnc(Nc2cncc(C)c2C)o1 ZINC001213522927 970347930 /nfs/dbraw/zinc/34/79/30/970347930.db2.gz JTQHLNXFQFCCGO-UHFFFAOYSA-N 0 1 204.233 2.133 20 0 BEADMN C[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc([O-])cc2)C1 ZINC001170120068 970349223 /nfs/dbraw/zinc/34/92/23/970349223.db2.gz DXBUGZMFENDLBL-PWSUYJOCSA-N 0 1 233.311 2.353 20 0 BEADMN COC[C@@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001255568652 970365873 /nfs/dbraw/zinc/36/58/73/970365873.db2.gz AMQQGAOZLAKYNY-BDAKNGLRSA-N 0 1 225.254 2.091 20 0 BEADMN Cn1cncc1Nc1ccc2cc[nH]c(=O)c2c1 ZINC001213956023 970405897 /nfs/dbraw/zinc/40/58/97/970405897.db2.gz UTKJHFAUVXCUOU-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN CCC1(CNc2ccc3c(n2)CCC3)COC1 ZINC001157542574 970424443 /nfs/dbraw/zinc/42/44/43/970424443.db2.gz PKDOXBCYCXULAV-UHFFFAOYSA-N 0 1 232.327 2.409 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC001609642061 970432153 /nfs/dbraw/zinc/43/21/53/970432153.db2.gz BYGUSDSPZQDZCB-MWLCHTKSSA-N 0 1 235.283 2.280 20 0 BEADMN C[C@H](CC(F)(F)F)N1CC[C@@]12CCOC2 ZINC001255665602 970448200 /nfs/dbraw/zinc/44/82/00/970448200.db2.gz ZEMXGVBTRAVDSE-BDAKNGLRSA-N 0 1 223.238 2.192 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CC[C@@H](C)C1 ZINC001170149069 970448268 /nfs/dbraw/zinc/44/82/68/970448268.db2.gz KEOZCTOQTULERT-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN Nc1ccc(F)cc1Nc1ccnc(CO)c1 ZINC001214200275 970464651 /nfs/dbraw/zinc/46/46/51/970464651.db2.gz VMVRRHTUSRLGCK-UHFFFAOYSA-N 0 1 233.246 2.039 20 0 BEADMN C[C@@H]1CC[C@H](N2CC(Oc3cccnc3)C2)C1 ZINC001170153153 970471443 /nfs/dbraw/zinc/47/14/43/970471443.db2.gz OPOYJNTUBIVBEI-NEPJUHHUSA-N 0 1 232.327 2.333 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1ccc(C)cc1 ZINC001255772072 970475752 /nfs/dbraw/zinc/47/57/52/970475752.db2.gz DZINTWSEGSFVDI-NSHDSACASA-N 0 1 245.326 2.407 20 0 BEADMN Cc1ccc(C[C@H](C)n2ccnc2CN)cc1 ZINC001255774012 970480061 /nfs/dbraw/zinc/48/00/61/970480061.db2.gz TTWHSRWMYDMGQI-LBPRGKRZSA-N 0 1 229.327 2.454 20 0 BEADMN CCOc1cc(-n2cnc(C)c2N)ccc1C ZINC001214323091 970484623 /nfs/dbraw/zinc/48/46/23/970484623.db2.gz MEFKQKHPKWZOCL-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN Cc1nnc(CN[C@H](C)Cc2ccc(C)cc2)o1 ZINC001255784393 970488762 /nfs/dbraw/zinc/48/87/62/970488762.db2.gz VCSZGXPOMADHQG-LLVKDONJSA-N 0 1 245.326 2.407 20 0 BEADMN COCOc1ccc(C)c(-n2cnc(C)c2N)c1 ZINC001214361740 970495974 /nfs/dbraw/zinc/49/59/74/970495974.db2.gz SZUIGSOYWNDCBH-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1ccccc1F ZINC001255840739 970513690 /nfs/dbraw/zinc/51/36/90/970513690.db2.gz HVXPJEHOQLCPQB-GFCCVEGCSA-N 0 1 237.342 2.242 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccccc1F ZINC001255840739 970513698 /nfs/dbraw/zinc/51/36/98/970513698.db2.gz HVXPJEHOQLCPQB-GFCCVEGCSA-N 0 1 237.342 2.242 20 0 BEADMN CC(=O)c1cc(-n2cnc(C)c2N)cs1 ZINC001214778452 970536521 /nfs/dbraw/zinc/53/65/21/970536521.db2.gz UJJFRVDAJISXRI-UHFFFAOYSA-N 0 1 221.285 2.027 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)N1C[C@@H]2C[C@H]1CO2 ZINC001255876475 970536685 /nfs/dbraw/zinc/53/66/85/970536685.db2.gz YDZZDMLBHOUKGV-SWHYSGLUSA-N 0 1 235.302 2.230 20 0 BEADMN CCN([C@H](C)Cc1ccc(F)cc1)C1COC1 ZINC001255875691 970537988 /nfs/dbraw/zinc/53/79/88/970537988.db2.gz NGUQMGPMQYXARJ-LLVKDONJSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)N1C[C@@H]2C[C@H]1CO2 ZINC001255876474 970539750 /nfs/dbraw/zinc/53/97/50/970539750.db2.gz YDZZDMLBHOUKGV-BPNCWPANSA-N 0 1 235.302 2.230 20 0 BEADMN Cc1cnn(-c2ccc(Cl)c(O)c2F)c1N ZINC001214791366 970540621 /nfs/dbraw/zinc/54/06/21/970540621.db2.gz TWBRPTJRDOUAGF-UHFFFAOYSA-N 0 1 241.653 2.261 20 0 BEADMN CC[C@H]1C[C@@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001170205465 970572575 /nfs/dbraw/zinc/57/25/75/970572575.db2.gz ACNSANKUFXTRDP-BJDJZHNGSA-N 0 1 233.302 2.326 20 0 BEADMN CCCOC1CN([C@H]2CCO[C@@H](CC)C2)C1 ZINC001170217920 970584607 /nfs/dbraw/zinc/58/46/07/970584607.db2.gz CEIHMOLIKUYZSL-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN OCc1ccc(Nc2ccncc2)c(F)c1F ZINC001215025071 970604336 /nfs/dbraw/zinc/60/43/36/970604336.db2.gz XWNIGSGCQUHCQP-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1cccc(OC)c1 ZINC001256150437 970675304 /nfs/dbraw/zinc/67/53/04/970675304.db2.gz BTAKQZPDKMJXOS-ZDUSSCGKSA-N 0 1 249.378 2.111 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1cccc(OC)c1 ZINC001256150437 970675309 /nfs/dbraw/zinc/67/53/09/970675309.db2.gz BTAKQZPDKMJXOS-ZDUSSCGKSA-N 0 1 249.378 2.111 20 0 BEADMN Cc1csc(CN2C[C@H](CO)CC[C@H]2C)n1 ZINC000305208860 970711926 /nfs/dbraw/zinc/71/19/26/970711926.db2.gz GRWGNPUADIHMJU-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN Fc1ccc(Nc2ccncc2)c2c[nH]nc21 ZINC001215366490 970723454 /nfs/dbraw/zinc/72/34/54/970723454.db2.gz SGZQWFIXXWDPCT-UHFFFAOYSA-N 0 1 228.230 2.263 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C(C)(C)CC)n[nH]1 ZINC001327447201 972573901 /nfs/dbraw/zinc/57/39/01/972573901.db2.gz LTBCKTMPJOTOAD-QMMMGPOBSA-N 0 1 239.319 2.408 20 0 BEADMN Cc1cccc(COC2CN(C(C)(C)C)C2)n1 ZINC001222707138 972652659 /nfs/dbraw/zinc/65/26/59/972652659.db2.gz ZNDUZDHQDLTRLV-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN Oc1ccc(CN2CCC[C@H](C(F)F)C2)nc1 ZINC001144259211 972710633 /nfs/dbraw/zinc/71/06/33/972710633.db2.gz NHNXDBFLHLLAAU-VIFPVBQESA-N 0 1 242.269 2.264 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1C2CCC1CC2 ZINC001144340559 972781590 /nfs/dbraw/zinc/78/15/90/972781590.db2.gz KSWSZQXXKXJESM-UHFFFAOYSA-N 0 1 248.326 2.318 20 0 BEADMN CC1(C)c2ccccc2CCN1Cc1nnc[nH]1 ZINC001327883133 972783839 /nfs/dbraw/zinc/78/38/39/972783839.db2.gz JHPQUUUPPPCJAK-UHFFFAOYSA-N 0 1 242.326 2.098 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1ncccc1F ZINC001223008170 972797575 /nfs/dbraw/zinc/79/75/75/972797575.db2.gz VXBLLPLNJXPMSW-MRVPVSSYSA-N 0 1 221.235 2.222 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1nccs1 ZINC001223008428 972802849 /nfs/dbraw/zinc/80/28/49/972802849.db2.gz YTKWZZQYEZKRRU-SSDOTTSWSA-N 0 1 209.274 2.144 20 0 BEADMN COC(C)(C)C[C@@H](C)OCc1cnc[nH]1 ZINC001223008563 972804402 /nfs/dbraw/zinc/80/44/02/972804402.db2.gz ZPRWQXUQLMQBCA-SECBINFHSA-N 0 1 212.293 2.130 20 0 BEADMN Cc1ccc([C@H](C)OCc2nn[nH]n2)c(C)c1 ZINC001223026727 972805508 /nfs/dbraw/zinc/80/55/08/972805508.db2.gz HIYPCSDSWLBNHR-JTQLQIEISA-N 0 1 232.287 2.094 20 0 BEADMN C/C=C/[C@@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223026605 972806060 /nfs/dbraw/zinc/80/60/60/972806060.db2.gz CLIMZYNGKYFZEE-SZHMKSFOSA-N 0 1 236.319 2.241 20 0 BEADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1nn[nH]n1 ZINC001223029997 972809396 /nfs/dbraw/zinc/80/93/96/972809396.db2.gz RTPOQGUFZLPIGG-OUAUKWLOSA-N 0 1 238.335 2.177 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@H](F)CC2)nc1 ZINC001144419900 972815389 /nfs/dbraw/zinc/81/53/89/972815389.db2.gz NZPMSVMMPRZMAG-LLVKDONJSA-N 0 1 238.306 2.414 20 0 BEADMN COc1ncc(CN2CCC[C@H](C)C2)cc1F ZINC001144451410 972828365 /nfs/dbraw/zinc/82/83/65/972828365.db2.gz UNQLVAXARWJKRM-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN C[C@H]1SCC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H]1C ZINC000395821396 972833871 /nfs/dbraw/zinc/83/38/71/972833871.db2.gz SENBGMJHCYVLDN-NXEZZACHSA-N 0 1 245.388 2.313 20 0 BEADMN C[C@@H](SCc1nnc[nH]1)c1cccnc1 ZINC001328038889 972857284 /nfs/dbraw/zinc/85/72/84/972857284.db2.gz MXZBTMVBRHTZFR-MRVPVSSYSA-N 0 1 220.301 2.194 20 0 BEADMN C[C@H](SCc1nnc[nH]1)c1cccnc1 ZINC001328038890 972857453 /nfs/dbraw/zinc/85/74/53/972857453.db2.gz MXZBTMVBRHTZFR-QMMMGPOBSA-N 0 1 220.301 2.194 20 0 BEADMN [O-]c1cc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC001144647449 972906099 /nfs/dbraw/zinc/90/60/99/972906099.db2.gz GCBYXOMSEZKEKP-OCAPTIKFSA-N 0 1 225.238 2.122 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cc(C)n[nH]1 ZINC001328218763 972907333 /nfs/dbraw/zinc/90/73/33/972907333.db2.gz AUHZJNLBXJIQIJ-CYBMUJFWSA-N 0 1 237.347 2.109 20 0 BEADMN Cc1ncccc1COC1CN(C(C)(C)C)C1 ZINC001223346853 972992278 /nfs/dbraw/zinc/99/22/78/972992278.db2.gz IGJAARIZGVHNPX-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN F[C@@H]1CCC[C@@H](c2nc([C@H]3CCCN3)no2)C1 ZINC001328387151 973009070 /nfs/dbraw/zinc/00/90/70/973009070.db2.gz JKNBOBNGEVKNEV-OPRDCNLKSA-N 0 1 239.294 2.490 20 0 BEADMN C[C@@H]1C[C@H](Nc2cc(C(=O)[O-])cc[nH+]2)CS1 ZINC000397822120 973024044 /nfs/dbraw/zinc/02/40/44/973024044.db2.gz FCWLLMQZXSIGMD-APPZFPTMSA-N 0 1 238.312 2.086 20 0 BEADMN CCN1C[C@H](C)N(c2nccs2)C[C@H]1C ZINC000846756290 973042218 /nfs/dbraw/zinc/04/22/18/973042218.db2.gz WFJBTQUVERACIE-ZJUUUORDSA-N 0 1 225.361 2.062 20 0 BEADMN Cc1nnc(SCCOCC2CCCC2)[nH]1 ZINC001328634883 973212593 /nfs/dbraw/zinc/21/25/93/973212593.db2.gz MDCUKWGDCZZPCX-UHFFFAOYSA-N 0 1 241.360 2.412 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H](C)[C@H]1C ZINC000399528404 973225382 /nfs/dbraw/zinc/22/53/82/973225382.db2.gz FZSMEZIBVDUCTC-UTLUCORTSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC000399528398 973225513 /nfs/dbraw/zinc/22/55/13/973225513.db2.gz FZSMEZIBVDUCTC-BBBLOLIVSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1CN(c2cc(C(=O)[O-])cc[nH+]2)[C@@H](C)[C@H]1C ZINC000399637354 973232581 /nfs/dbraw/zinc/23/25/81/973232581.db2.gz FVASOKMVQMSNCX-UTLUCORTSA-N 0 1 234.299 2.261 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)o1 ZINC000400070608 973249659 /nfs/dbraw/zinc/24/96/59/973249659.db2.gz HBEXGDWOTNVMFW-JTQLQIEISA-N 0 1 235.283 2.210 20 0 BEADMN FCCN1CCC(OCc2ccoc2)CC1 ZINC001223783180 973259412 /nfs/dbraw/zinc/25/94/12/973259412.db2.gz WLVCYYOFQMDGAV-UHFFFAOYSA-N 0 1 227.279 2.230 20 0 BEADMN Cc1c([C@@H](C)NCc2ccnc(F)c2)cnn1C ZINC001328689090 973265100 /nfs/dbraw/zinc/26/51/00/973265100.db2.gz KVFSPNXJYHKWHR-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN CC(=O)CN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001330733395 1169959222 /nfs/dbraw/zinc/95/92/22/1169959222.db2.gz PVRXLGZVSCUHOK-LBPRGKRZSA-N 0 1 249.358 2.302 20 0 BEADMN Cc1cc(C)cc(N2CC3(CN(C)C3)C2)c1 ZINC001276921780 973290116 /nfs/dbraw/zinc/29/01/16/973290116.db2.gz WUEAQBIREXXBBU-UHFFFAOYSA-N 0 1 216.328 2.055 20 0 BEADMN C[N@@H+](CCCC1CC1)Cc1ccc(C(=O)[O-])cn1 ZINC000400698907 973309022 /nfs/dbraw/zinc/30/90/22/973309022.db2.gz IUNQUVXVCLODPK-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN Cc1cccc2nc(NC(=O)c3cc[nH]c3)[nH]c21 ZINC001146877223 973333351 /nfs/dbraw/zinc/33/33/51/973333351.db2.gz AONSEXNUJCAOON-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN C[C@@H](O[C@@H]1CN2CCC1CC2)c1nccs1 ZINC001224003954 973392922 /nfs/dbraw/zinc/39/29/22/973392922.db2.gz PIJSDIAGRKNICM-MWLCHTKSSA-N 0 1 238.356 2.315 20 0 BEADMN CCc1n[nH]c(Cl)c1C(=O)NOC(C)(C)C ZINC001329182496 973548006 /nfs/dbraw/zinc/54/80/06/973548006.db2.gz GQHGCCIEVUWRQU-UHFFFAOYSA-N 0 1 245.710 2.085 20 0 BEADMN C[N@@H+](C[C@@H]1CC=CCC1)[C@H](C(=O)[O-])C1CC1 ZINC000402599896 973630132 /nfs/dbraw/zinc/63/01/32/973630132.db2.gz OUZKESPHIXUYRR-PWSUYJOCSA-N 0 1 223.316 2.138 20 0 BEADMN CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC000403462184 973676126 /nfs/dbraw/zinc/67/61/26/973676126.db2.gz MIWPVDILKDBBNL-SSDOTTSWSA-N 0 1 240.130 2.491 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C[C@@H]2CCCC[C@@H]21 ZINC001329350393 973697121 /nfs/dbraw/zinc/69/71/21/973697121.db2.gz PJBSBENCPCRPOS-JQWIXIFHSA-N 0 1 245.326 2.302 20 0 BEADMN CC(C)CNCc1nc([C@@H](C)C2CC2)no1 ZINC001329433015 973771478 /nfs/dbraw/zinc/77/14/78/973771478.db2.gz JSULYMQVALAQMZ-VIFPVBQESA-N 0 1 223.320 2.329 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(O)c(F)c2)C1 ZINC000234877071 973781565 /nfs/dbraw/zinc/78/15/65/973781565.db2.gz YFLDAYZMBCPNFK-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)OCc1nnc[nH]1 ZINC001329455769 973783763 /nfs/dbraw/zinc/78/37/63/973783763.db2.gz SJNRVVPUNOSUKX-VHSXEESVSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)(CF)NCc1ccnn1CC1CC1 ZINC001329548670 973824136 /nfs/dbraw/zinc/82/41/36/973824136.db2.gz OZTUCKIKVKPQKS-UHFFFAOYSA-N 0 1 225.311 2.131 20 0 BEADMN C[C@@H](OC[C@H]1CCCCN1C)C(F)(F)F ZINC001224703472 973871703 /nfs/dbraw/zinc/87/17/03/973871703.db2.gz SZUSDNJCJUFTML-RKDXNWHRSA-N 0 1 225.254 2.438 20 0 BEADMN CCC[C@@H](CC)C(=O)Nc1nnc(CC)[nH]1 ZINC001329847709 973971821 /nfs/dbraw/zinc/97/18/21/973971821.db2.gz NYGTXWCJYKOJQW-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCC[C@@H](CC)C(=O)Nc1nc(CC)n[nH]1 ZINC001329847709 973971833 /nfs/dbraw/zinc/97/18/33/973971833.db2.gz NYGTXWCJYKOJQW-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN Fc1cccc2c1CC[C@H](NCc1ncco1)C2 ZINC001171392665 974000383 /nfs/dbraw/zinc/00/03/83/974000383.db2.gz LTGISZANMWOICK-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN CCOc1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC001247677354 974005621 /nfs/dbraw/zinc/00/56/21/974005621.db2.gz WZBKXTYEBQISGK-NSHDSACASA-N 0 1 245.282 2.170 20 0 BEADMN Fc1cccc2c1CC[C@H](NCc1cocn1)C2 ZINC001171400824 974006001 /nfs/dbraw/zinc/00/60/01/974006001.db2.gz GATCJWQXCHPRFV-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN CN(Cc1nc[nH]n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001329893682 974013550 /nfs/dbraw/zinc/01/35/50/974013550.db2.gz XASBFNXSOQVQDP-QWRGUYRKSA-N 0 1 236.363 2.451 20 0 BEADMN Cc1cc(CNc2cnn(C3CCC3)c2)n[nH]1 ZINC001333876548 1169972633 /nfs/dbraw/zinc/97/26/33/1169972633.db2.gz PLLBZYQTCBEOPV-UHFFFAOYSA-N 0 1 231.303 2.252 20 0 BEADMN CC(C)c1cccc(Nc2nccnc2CN)n1 ZINC001171450710 974072509 /nfs/dbraw/zinc/07/25/09/974072509.db2.gz YLMGCJJIVGQUQA-UHFFFAOYSA-N 0 1 243.314 2.197 20 0 BEADMN Cc1cccc(C)c1Nc1nccnc1CN ZINC001171450504 974072915 /nfs/dbraw/zinc/07/29/15/974072915.db2.gz RXTAAXJEOMJLAE-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CC(=O)CC(C)(C)Nc1ccnc(C)c1F ZINC001171502902 974087496 /nfs/dbraw/zinc/08/74/96/974087496.db2.gz VMDVEECSKKFYRI-UHFFFAOYSA-N 0 1 224.279 2.121 20 0 BEADMN Cc1ccc(N2CC3(CCN3C)C2)cc1F ZINC001277009592 974103223 /nfs/dbraw/zinc/10/32/23/974103223.db2.gz KNCOSOWZSAYZFT-UHFFFAOYSA-N 0 1 220.291 2.028 20 0 BEADMN Cc1cccc2c1CC[C@@H](N1CCC13COC3)C2 ZINC001171571417 974103862 /nfs/dbraw/zinc/10/38/62/974103862.db2.gz XSJBVLZBRPTPPY-CQSZACIVSA-N 0 1 243.350 2.327 20 0 BEADMN Cc1c(C(=O)NCCCCF)ccc2cncn21 ZINC001330103941 974108954 /nfs/dbraw/zinc/10/89/54/974108954.db2.gz JMXLMTJKQLCZEI-UHFFFAOYSA-N 0 1 249.289 2.122 20 0 BEADMN CN1CCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC000257905319 974172236 /nfs/dbraw/zinc/17/22/36/974172236.db2.gz OWTBVJKIWHUWGZ-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN C[C@@H]1CN([C@@H]2Cc3cccc(F)c3C2)C[C@H](C)O1 ZINC001171790774 974182495 /nfs/dbraw/zinc/18/24/95/974182495.db2.gz SEPHZGOISWUEIT-NTZNESFSSA-N 0 1 249.329 2.402 20 0 BEADMN CC1(C)CN([C@@H]2Cc3cccc(F)c3C2)CCO1 ZINC001171795566 974185111 /nfs/dbraw/zinc/18/51/11/974185111.db2.gz YYJRTEYETUQBJS-GFCCVEGCSA-N 0 1 249.329 2.404 20 0 BEADMN C[C@@H]1CN([C@@H]2Cc3cccc(F)c3C2)[C@@H](C)CO1 ZINC001171809528 974200678 /nfs/dbraw/zinc/20/06/78/974200678.db2.gz KISALFCXULBWNT-DMDPSCGWSA-N 0 1 249.329 2.402 20 0 BEADMN c1cc(CN2CC[C@H]3CCCO[C@@H]3C2)ccn1 ZINC001204079994 974233213 /nfs/dbraw/zinc/23/32/13/974233213.db2.gz CCOJRBDZLMDGEM-ZIAGYGMSSA-N 0 1 232.327 2.083 20 0 BEADMN C[C@H](O)c1ncc(CNC/C=C/C2CC2)s1 ZINC001330422424 974256952 /nfs/dbraw/zinc/25/69/52/974256952.db2.gz BXPWZVNSLGHNTD-HPOULIHZSA-N 0 1 238.356 2.252 20 0 BEADMN c1cncc(C2CN(Cc3ccncc3)C2)c1 ZINC001204081094 974294767 /nfs/dbraw/zinc/29/47/67/974294767.db2.gz JORPKOHCSNGCFF-UHFFFAOYSA-N 0 1 225.295 2.076 20 0 BEADMN CCc1ccc(C(C)(C)NCc2nnc[nH]2)cc1 ZINC001330560866 974312080 /nfs/dbraw/zinc/31/20/80/974312080.db2.gz ZJBRJXXJTAGECZ-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1=CC=C[CH]1)C2 ZINC001172113598 974382595 /nfs/dbraw/zinc/38/25/95/974382595.db2.gz DSJDVDOYMPABIU-BTTYYORXSA-N 0 1 217.336 2.249 20 0 BEADMN F[C@@H]1C[C@H]1N[C@@H]1CSc2ccccc2C1 ZINC001172188446 974396020 /nfs/dbraw/zinc/39/60/20/974396020.db2.gz SRIVCLJWELNOOL-HBNTYKKESA-N 0 1 223.316 2.403 20 0 BEADMN c1ncc(CN[C@@H]2CSc3ccccc3C2)o1 ZINC001172184815 974396919 /nfs/dbraw/zinc/39/69/19/974396919.db2.gz OYQQIIZUASTMAV-NSHDSACASA-N 0 1 246.335 2.481 20 0 BEADMN O=c1cc(C2CCCCC2)[nH]n1CC(F)F ZINC001330686556 974414551 /nfs/dbraw/zinc/41/45/51/974414551.db2.gz DFGGVICXONJGHV-UHFFFAOYSA-N 0 1 230.258 2.420 20 0 BEADMN CN1CCC[C@H](Oc2ccc3c(c2)C(=O)CC3)C1 ZINC001225358481 974443492 /nfs/dbraw/zinc/44/34/92/974443492.db2.gz LQHYDKIMBYZRAZ-ZDUSSCGKSA-N 0 1 245.322 2.289 20 0 BEADMN CN1CC[C@H](Oc2cc3c(c(F)c2)C(=O)CC3)C1 ZINC001225363705 974444659 /nfs/dbraw/zinc/44/46/59/974444659.db2.gz JSGNNWDOZPXGPX-JTQLQIEISA-N 0 1 249.285 2.038 20 0 BEADMN CC1(CO)CN([C@H]2CSc3ccccc3C2)C1 ZINC001172192872 974478726 /nfs/dbraw/zinc/47/87/26/974478726.db2.gz HHQBOZZWQIRSPK-GFCCVEGCSA-N 0 1 249.379 2.018 20 0 BEADMN CC1(C)C[C@H](n2c(CN)nc3ccccc32)CO1 ZINC001172266901 974487105 /nfs/dbraw/zinc/48/71/05/974487105.db2.gz QLAPJFDBISYRAP-JTQLQIEISA-N 0 1 245.326 2.235 20 0 BEADMN CC(C)[NH+]1CC(Oc2ccc([S-])cc2)C1 ZINC001225554417 974548925 /nfs/dbraw/zinc/54/89/25/974548925.db2.gz CMOIHSYBXHAOMI-UHFFFAOYSA-N 0 1 223.341 2.447 20 0 BEADMN CC1(C)C[C@H](N2CCC[C@@H]2c2cnccn2)CO1 ZINC001172286956 974549642 /nfs/dbraw/zinc/54/96/42/974549642.db2.gz OGIPYHIIAPKIOC-WCQYABFASA-N 0 1 247.342 2.181 20 0 BEADMN CC1(C)C[C@H](N2CCc3occc3C2)CO1 ZINC001172288370 974554811 /nfs/dbraw/zinc/55/48/11/974554811.db2.gz HMZPZCMIWVHNIB-NSHDSACASA-N 0 1 221.300 2.205 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001331030003 974566629 /nfs/dbraw/zinc/56/66/29/974566629.db2.gz HXPDOWQVVBBPSC-QKCSRTOESA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc(CN2C[C@H](O)C3(CC3)C2)c(F)c1 ZINC001331066553 974586081 /nfs/dbraw/zinc/58/60/81/974586081.db2.gz LAIKHRKDZXJMHT-ZDUSSCGKSA-N 0 1 235.302 2.091 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CC(C)(OC)C1 ZINC001172334980 974598533 /nfs/dbraw/zinc/59/85/33/974598533.db2.gz DXVTYOOOHVMYSF-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CN1CCC[C@@H](Oc2cccc3c2CCC3=O)C1 ZINC001225619050 974598591 /nfs/dbraw/zinc/59/85/91/974598591.db2.gz YLBBSEPMCXACMS-LLVKDONJSA-N 0 1 245.322 2.289 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1C[C@H]2C[C@@H](C1)O2 ZINC001172354642 974625375 /nfs/dbraw/zinc/62/53/75/974625375.db2.gz SKWYYMNQIXPBSI-LPWJVIDDSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172363068 974635814 /nfs/dbraw/zinc/63/58/14/974635814.db2.gz ZXQIRVOXRKBPOA-XJFOESAGSA-N 0 1 241.375 2.443 20 0 BEADMN CCOCC[C@@H](C)NCc1nc(C)oc1C ZINC001172406634 974663429 /nfs/dbraw/zinc/66/34/29/974663429.db2.gz ODMMVQIDTYLYGB-SECBINFHSA-N 0 1 226.320 2.196 20 0 BEADMN CCOCC[C@@H](C)NCc1nccc(Cl)n1 ZINC001172415496 974683121 /nfs/dbraw/zinc/68/31/21/974683121.db2.gz WDZUJVNYWHIHLH-SECBINFHSA-N 0 1 243.738 2.035 20 0 BEADMN Cc1cc(CN[C@@H](C)CCOC(C)C)no1 ZINC001172432531 974717032 /nfs/dbraw/zinc/71/70/32/974717032.db2.gz ZSYJBUAPTFZKDR-JTQLQIEISA-N 0 1 226.320 2.276 20 0 BEADMN CO[C@H]1CCCC[C@@H]1Oc1cccc2[nH]nnc21 ZINC001225991420 974755594 /nfs/dbraw/zinc/75/55/94/974755594.db2.gz AUPNXIMMZOSHLU-QWRGUYRKSA-N 0 1 247.298 2.294 20 0 BEADMN C[C@@H](Oc1cccc2[nH]nnc21)c1ccccn1 ZINC001225990832 974755792 /nfs/dbraw/zinc/75/57/92/974755792.db2.gz LAWXOOLIZYYIKP-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CCOC(=O)CN(C)[C@@H](CC)CC(C)C ZINC001172399012 974758175 /nfs/dbraw/zinc/75/81/75/974758175.db2.gz WNRMXWKOONJXHA-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC001331598821 974773746 /nfs/dbraw/zinc/77/37/46/974773746.db2.gz UPTGOQUDRHPBPG-TUAOUCFPSA-N 0 1 240.391 2.410 20 0 BEADMN C[C@@H]1CCN(Cc2nnc[nH]2)[C@@H]1c1ccccc1 ZINC001331703344 974797173 /nfs/dbraw/zinc/79/71/73/974797173.db2.gz QZKFTRKANQSLEF-RISCZKNCSA-N 0 1 242.326 2.388 20 0 BEADMN CC(C)OCC[C@@H](C)N(C)Cc1cnccn1 ZINC001172447497 974810529 /nfs/dbraw/zinc/81/05/29/974810529.db2.gz DGKXPSIHNBMBJP-GFCCVEGCSA-N 0 1 237.347 2.112 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccncc2)n1 ZINC001226155966 974811628 /nfs/dbraw/zinc/81/16/28/974811628.db2.gz JIEYOWMHFYFVEM-VIFPVBQESA-N 0 1 231.255 2.026 20 0 BEADMN CCC[C@H](CC)Oc1nc(C)cc(=O)[nH]1 ZINC001226157089 974812014 /nfs/dbraw/zinc/81/20/14/974812014.db2.gz WXYPOCOEKNNBCH-VIFPVBQESA-N 0 1 210.277 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CC[C@@H](C)CC2)n1 ZINC001226157630 974813180 /nfs/dbraw/zinc/81/31/80/974813180.db2.gz CGOCEOFTCPPRPB-WAAGHKOSSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCCC[C@H]2F)n1 ZINC001226159489 974813997 /nfs/dbraw/zinc/81/39/97/974813997.db2.gz NWTIBVVTLSWCIZ-BDAKNGLRSA-N 0 1 226.251 2.150 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCC(F)(F)C2)n1 ZINC001226159852 974814684 /nfs/dbraw/zinc/81/46/84/974814684.db2.gz YDKLKPMAAZCRAN-ZETCQYMHSA-N 0 1 230.214 2.057 20 0 BEADMN CC(C)OCC[C@H](C)N1CCOCC12CC2 ZINC001172457124 974821455 /nfs/dbraw/zinc/82/14/55/974821455.db2.gz ROWMOEZVMSCJSB-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN C1=C[C@@H](Oc2n[nH]c3ncccc23)CC1 ZINC001226302491 974850134 /nfs/dbraw/zinc/85/01/34/974850134.db2.gz LCPSTGBFYMQGSP-MRVPVSSYSA-N 0 1 201.229 2.055 20 0 BEADMN C[C@@H]1CCCC[C@H]1Oc1nccc(=O)[nH]1 ZINC001226324722 974851976 /nfs/dbraw/zinc/85/19/76/974851976.db2.gz TWRRBUJPPHUXGK-RKDXNWHRSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nccc(=O)[nH]2)C[C@@H]1C ZINC001226324064 974856317 /nfs/dbraw/zinc/85/63/17/974856317.db2.gz HPHUHBQELFLAKG-KXUCPTDWSA-N 0 1 222.288 2.386 20 0 BEADMN CCCC(=O)[C@@H](CCC)Oc1nccc(=O)[nH]1 ZINC001226324559 974856326 /nfs/dbraw/zinc/85/63/26/974856326.db2.gz PTBHTDKCNGTAPV-SNVBAGLBSA-N 0 1 238.287 2.099 20 0 BEADMN O=c1ccnc(O[C@H](c2cccnc2)C2CC2)[nH]1 ZINC001226327087 974858418 /nfs/dbraw/zinc/85/84/18/974858418.db2.gz QCOCVVHYJHLAIN-LBPRGKRZSA-N 0 1 243.266 2.107 20 0 BEADMN C[C@H]1CC[C@@H](Oc2nccc(=O)[nH]2)CC1 ZINC001226325386 974859828 /nfs/dbraw/zinc/85/98/28/974859828.db2.gz AZSMMZJPCOIQFC-DTORHVGOSA-N 0 1 208.261 2.140 20 0 BEADMN Cc1ccc([C@@H](C)Oc2nccc(=O)[nH]2)cn1 ZINC001226327418 974861525 /nfs/dbraw/zinc/86/15/25/974861525.db2.gz WQOLKNVSYYJJHT-SECBINFHSA-N 0 1 231.255 2.026 20 0 BEADMN CC(C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408696 974887027 /nfs/dbraw/zinc/88/70/27/974887027.db2.gz NJUWTIFZEALOFE-UHFFFAOYSA-N 0 1 222.219 2.262 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc2ccoc21)C1CC1 ZINC001331967120 974894936 /nfs/dbraw/zinc/89/49/36/974894936.db2.gz DTZAZLHSTRUFJJ-UHFFFAOYSA-N 0 1 245.278 2.482 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2ncccc2C)no1 ZINC001212678501 974905468 /nfs/dbraw/zinc/90/54/68/974905468.db2.gz BYCMQZFXZJBLAB-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1ccnc(CN)c1 ZINC001332014613 974920396 /nfs/dbraw/zinc/92/03/96/974920396.db2.gz VEBVRRJKMBLAMK-LLVKDONJSA-N 0 1 249.358 2.096 20 0 BEADMN Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172842110 974955938 /nfs/dbraw/zinc/95/59/38/974955938.db2.gz IUZWSRFHFVUOKO-OAGGEKHMSA-N 0 1 243.350 2.325 20 0 BEADMN Cc1ccc2c(c1)C[C@H](N1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172842110 974955944 /nfs/dbraw/zinc/95/59/44/974955944.db2.gz IUZWSRFHFVUOKO-OAGGEKHMSA-N 0 1 243.350 2.325 20 0 BEADMN CO[C@@H]1CCC[C@@H](NC2(c3ncccn3)CC2)C1 ZINC001172926512 974970350 /nfs/dbraw/zinc/97/03/50/974970350.db2.gz QJJZYRITPQILEW-VXGBXAGGSA-N 0 1 247.342 2.013 20 0 BEADMN CO[C@H]1CCC[C@@H](NC2(c3ncccn3)CC2)C1 ZINC001172926509 974973005 /nfs/dbraw/zinc/97/30/05/974973005.db2.gz QJJZYRITPQILEW-NEPJUHHUSA-N 0 1 247.342 2.013 20 0 BEADMN COc1cccc(O[C@H]2CCN(C)C2)c1Cl ZINC001226635849 974986219 /nfs/dbraw/zinc/98/62/19/974986219.db2.gz ZUINIEDERVKJBA-VIFPVBQESA-N 0 1 241.718 2.432 20 0 BEADMN CO[C@@H]1CCC[C@H](N(C)Cc2ccon2)C1 ZINC001172947508 975002202 /nfs/dbraw/zinc/00/22/02/975002202.db2.gz YSSWEEREDKJGMN-NWDGAFQWSA-N 0 1 224.304 2.064 20 0 BEADMN Cc1cc(CN[C@H]2CCc3ncsc3C2)no1 ZINC001173120230 975028997 /nfs/dbraw/zinc/02/89/97/975028997.db2.gz CUQGJDAAHFTGQS-VIFPVBQESA-N 0 1 249.339 2.087 20 0 BEADMN Fc1ccc2nc(O[C@H]3CCCOC3)[nH]c2c1 ZINC001226700955 975033254 /nfs/dbraw/zinc/03/32/54/975033254.db2.gz HMRMOACFKPHDSQ-VIFPVBQESA-N 0 1 236.246 2.260 20 0 BEADMN FC(F)C1CN([C@@H]2CCc3ncsc3C2)C1 ZINC001173143545 975046473 /nfs/dbraw/zinc/04/64/73/975046473.db2.gz HLLIEDOUECOZSU-MRVPVSSYSA-N 0 1 244.310 2.197 20 0 BEADMN CC(=O)c1cc(O)ccc1OC1CCN(C)CC1 ZINC001226849839 975122110 /nfs/dbraw/zinc/12/21/10/975122110.db2.gz VDYHROMEUBSLMW-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CC[C@H]1CC[C@H](n2c(C)cnc2CN)C1 ZINC001173264989 975125637 /nfs/dbraw/zinc/12/56/37/975125637.db2.gz XQJMEGFANAGLON-QWRGUYRKSA-N 0 1 207.321 2.401 20 0 BEADMN CC[C@@H]1CC[C@H](N(C)Cc2ncccn2)C1 ZINC001173272615 975148007 /nfs/dbraw/zinc/14/80/07/975148007.db2.gz KATREEBDMSGBCI-NEPJUHHUSA-N 0 1 219.332 2.487 20 0 BEADMN CCOC(=O)[C@@H](CC)Oc1ccc2nc[nH]c2c1 ZINC001226928057 975155176 /nfs/dbraw/zinc/15/51/76/975155176.db2.gz DJDFYEUAIAQGIG-GFCCVEGCSA-N 0 1 248.282 2.283 20 0 BEADMN c1nc2ccc(O[C@@H]3CCCOC3)cc2[nH]1 ZINC001226928530 975157720 /nfs/dbraw/zinc/15/77/20/975157720.db2.gz NEMFZTBGRNWIMM-SNVBAGLBSA-N 0 1 218.256 2.121 20 0 BEADMN O=C1CCCC[C@@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929783 975160125 /nfs/dbraw/zinc/16/01/25/975160125.db2.gz KKAWXBMDMZQADJ-ZDUSSCGKSA-N 0 1 230.267 2.453 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCN(C(C)C)C(=O)C2)C1 ZINC001173292508 975170376 /nfs/dbraw/zinc/17/03/76/975170376.db2.gz GZLRWOPDOBDIQH-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN CCSC[C@H](C)NCc1ccn(CCF)n1 ZINC001173293670 975172003 /nfs/dbraw/zinc/17/20/03/975172003.db2.gz BZSLAMNMCXLDTQ-JTQLQIEISA-N 0 1 245.367 2.084 20 0 BEADMN CC[C@H]1CC[C@H](N2CCc3c(ncn3C)C2)C1 ZINC001173294991 975175972 /nfs/dbraw/zinc/17/59/72/975175972.db2.gz OXAXMNZLCSHUMO-RYUDHWBXSA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@H](C)NC1(c2cnccn2)CC1 ZINC001173300091 975193276 /nfs/dbraw/zinc/19/32/76/975193276.db2.gz YGWXOIFGUHREHU-JTQLQIEISA-N 0 1 237.372 2.197 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000827 975215525 /nfs/dbraw/zinc/21/55/25/975215525.db2.gz SPORGAXBWQWTSH-YUMQZZPRSA-N 0 1 226.276 2.004 20 0 BEADMN CC[C@@H]1CC[C@H](N(C)[C@H](C)C(=O)OC)C1 ZINC001173289836 975259127 /nfs/dbraw/zinc/25/91/27/975259127.db2.gz UYNKLSMFCYVIEV-MXWKQRLJSA-N 0 1 213.321 2.058 20 0 BEADMN CN1CCC[C@H](Oc2ncccc2Cl)C1 ZINC001227112702 975281393 /nfs/dbraw/zinc/28/13/93/975281393.db2.gz AKEZXTAFZHJPDF-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN COC[C@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227271438 975346412 /nfs/dbraw/zinc/34/64/12/975346412.db2.gz LWPUVRYRKXPNQX-VIFPVBQESA-N 0 1 220.272 2.285 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@@H]2C=CCCC2)[nH]1 ZINC001227271569 975346615 /nfs/dbraw/zinc/34/66/15/975346615.db2.gz XRFKAAHVGHAYIT-MRVPVSSYSA-N 0 1 231.255 2.151 20 0 BEADMN CN1CCC[C@H](Oc2ccc(Cl)nc2F)C1 ZINC001227286036 975355248 /nfs/dbraw/zinc/35/52/48/975355248.db2.gz DCONRNRGAVXYPP-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN Cc1ccc2nc(=O)[nH]c(OC(C)C)c2c1 ZINC001227351924 975373120 /nfs/dbraw/zinc/37/31/20/975373120.db2.gz VISPHZLRGDWWIS-UHFFFAOYSA-N 0 1 218.256 2.431 20 0 BEADMN CN(CCF)C1Cc2cc(F)c(F)cc2C1 ZINC001173485311 975386173 /nfs/dbraw/zinc/38/61/73/975386173.db2.gz QMBWDXHXEFPDOK-UHFFFAOYSA-N 0 1 229.245 2.333 20 0 BEADMN CCCCC[C@@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001333136697 975490961 /nfs/dbraw/zinc/49/09/61/975490961.db2.gz HYYVJQDFHVAPOQ-SNVBAGLBSA-N 0 1 242.344 2.266 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)cc(CO)c1 ZINC001212744887 975490920 /nfs/dbraw/zinc/49/09/20/975490920.db2.gz ZGZVTIOREKLXDL-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2CC23CCC3)cc1 ZINC000721259746 975500388 /nfs/dbraw/zinc/50/03/88/975500388.db2.gz XZHJOXBUOIPYFV-OLZOCXBDSA-N 0 1 244.338 2.054 20 0 BEADMN c1nc2ncnc(O[C@@H]3CC4CCC3CC4)c2[nH]1 ZINC001227532591 975506749 /nfs/dbraw/zinc/50/67/49/975506749.db2.gz ZBUIGEMHMIUIMV-UDNWOFFPSA-N 0 1 244.298 2.310 20 0 BEADMN C[C@H]1CC[C@H](Oc2ncnc3nc[nH]c32)CC1 ZINC001227531012 975511858 /nfs/dbraw/zinc/51/18/58/975511858.db2.gz DNLBQMLDDWDDGJ-KYZUINATSA-N 0 1 232.287 2.310 20 0 BEADMN CC(C)C[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227532622 975514852 /nfs/dbraw/zinc/51/48/52/975514852.db2.gz ZMJSBZRSSXVGRW-MRVPVSSYSA-N 0 1 220.276 2.166 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1ncnc2nc[nH]c21 ZINC001227536034 975523256 /nfs/dbraw/zinc/52/32/56/975523256.db2.gz WPZOHKLNWSODPS-SFYZADRCSA-N 0 1 220.276 2.166 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)c1cccnc1 ZINC001227599276 975571026 /nfs/dbraw/zinc/57/10/26/975571026.db2.gz XMMQLBCENKGTBC-MRVPVSSYSA-N 0 1 248.311 2.004 20 0 BEADMN CC[C@H](Oc1nc(=O)[nH]c2c1COC2)C(C)C ZINC001227685931 975610933 /nfs/dbraw/zinc/61/09/33/975610933.db2.gz ALQCEWHEVUKYKV-JTQLQIEISA-N 0 1 238.287 2.026 20 0 BEADMN CCC[C@H](CC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227689456 975616286 /nfs/dbraw/zinc/61/62/86/975616286.db2.gz GAYOANZOYRGBLI-QMMMGPOBSA-N 0 1 238.287 2.170 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@H]2C=CCCC2)[nH]1 ZINC001227807129 975708025 /nfs/dbraw/zinc/70/80/25/975708025.db2.gz SAXPMPSVBAFDMY-QMMMGPOBSA-N 0 1 231.255 2.151 20 0 BEADMN CON(C(=O)c1cc(F)cc(F)c1O)C(C)C ZINC001333493094 975816261 /nfs/dbraw/zinc/81/62/61/975816261.db2.gz WAXAWMOENGTVDB-UHFFFAOYSA-N 0 1 245.225 2.082 20 0 BEADMN Cc1cccc(C)c1Nc1nonc1N ZINC001173871844 975825693 /nfs/dbraw/zinc/82/56/93/975825693.db2.gz HUGNHWQFPZCLQN-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN CCN1CCC(Oc2ccc(C(C)=O)cn2)CC1 ZINC001227994127 975839927 /nfs/dbraw/zinc/83/99/27/975839927.db2.gz UOJYWZLTYOPXLN-UHFFFAOYSA-N 0 1 248.326 2.147 20 0 BEADMN CCN1CCC[C@@H](Oc2ccc(C(C)=O)cn2)C1 ZINC001227997148 975841094 /nfs/dbraw/zinc/84/10/94/975841094.db2.gz WCRPFZCTURIALT-CYBMUJFWSA-N 0 1 248.326 2.147 20 0 BEADMN CC(=O)Nc1cccc(Nc2c(C)ncn2C)c1 ZINC001173831544 975855464 /nfs/dbraw/zinc/85/54/64/975855464.db2.gz QELPGCUNIDKLST-UHFFFAOYSA-N 0 1 244.298 2.431 20 0 BEADMN OCc1cc(Nc2cccc(F)c2)ccn1 ZINC001173836886 975863306 /nfs/dbraw/zinc/86/33/06/975863306.db2.gz TWAMGDHAXQTHOL-UHFFFAOYSA-N 0 1 218.231 2.457 20 0 BEADMN CCN1CCC(Oc2cnccc2C(C)=O)CC1 ZINC001228038804 975864675 /nfs/dbraw/zinc/86/46/75/975864675.db2.gz AGUJZILHYFYAIX-UHFFFAOYSA-N 0 1 248.326 2.147 20 0 BEADMN COc1cccc(OC)c1Nc1nccn1C ZINC001173922498 975899919 /nfs/dbraw/zinc/89/99/19/975899919.db2.gz YSWKUEDORJHENQ-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN Cc1sc(Nc2ccncc2)c(C(N)=O)c1C ZINC001173879137 975908114 /nfs/dbraw/zinc/90/81/14/975908114.db2.gz HUSNCNPWRBAURT-UHFFFAOYSA-N 0 1 247.323 2.024 20 0 BEADMN Clc1ccncc1Nc1ccncc1 ZINC001173879038 975911621 /nfs/dbraw/zinc/91/16/21/975911621.db2.gz BLPLKTNGVNWEQK-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN Cn1cncc1Nc1ccc(F)cc1F ZINC001173926658 975917227 /nfs/dbraw/zinc/91/72/27/975917227.db2.gz PGOHPGLJIBJLOK-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN COc1cc(Nc2ccncc2)cnc1Cl ZINC001173881569 975923826 /nfs/dbraw/zinc/92/38/26/975923826.db2.gz ZFADQPPPHOLQHD-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COC(=O)c1cscc1Nc1ccncc1 ZINC001173881707 975925252 /nfs/dbraw/zinc/92/52/52/975925252.db2.gz GMPZTCCPWQAZTO-UHFFFAOYSA-N 0 1 234.280 2.095 20 0 BEADMN COC(=O)c1cc(C)sc1Nc1ccncc1 ZINC001173881621 975926063 /nfs/dbraw/zinc/92/60/63/975926063.db2.gz BQKFPGJDBVIWNY-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN c1cc2nsnc2c(Nc2ccncc2)c1 ZINC001173882394 975928654 /nfs/dbraw/zinc/92/86/54/975928654.db2.gz HPOCEUIPQCNZTF-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN COc1ccc(Nc2ccncc2)c(Cl)n1 ZINC001173882511 975930657 /nfs/dbraw/zinc/93/06/57/975930657.db2.gz XHYFBWYEJOGFIH-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN FC(F)(F)c1nccnc1Nc1ccncc1 ZINC001173882382 975935581 /nfs/dbraw/zinc/93/55/81/975935581.db2.gz PKWJNQAHYSOATP-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN COCCOc1ccc(Nc2ccncc2)cc1 ZINC001173882425 975936941 /nfs/dbraw/zinc/93/69/41/975936941.db2.gz JOVMOKKUWHYYEG-UHFFFAOYSA-N 0 1 244.294 2.272 20 0 BEADMN O=C1CCc2ccc(Nc3ccncc3)cc21 ZINC001173882879 975938049 /nfs/dbraw/zinc/93/80/49/975938049.db2.gz ZOVXREVBDPRYFQ-UHFFFAOYSA-N 0 1 224.263 2.376 20 0 BEADMN Oc1ccc(Nc2ccncc2)c(F)c1 ZINC001173882863 975942170 /nfs/dbraw/zinc/94/21/70/975942170.db2.gz YMHWHWJWDWFYMF-UHFFFAOYSA-N 0 1 204.204 2.092 20 0 BEADMN Nc1ccc(F)c(F)c1Nc1ccncc1 ZINC001173882794 975944995 /nfs/dbraw/zinc/94/49/95/975944995.db2.gz UUZAHKCPCLZZQS-UHFFFAOYSA-N 0 1 221.210 2.108 20 0 BEADMN Nc1nc(Cl)cc2ncn(-c3ccncc3)c21 ZINC001173882703 975949396 /nfs/dbraw/zinc/94/93/96/975949396.db2.gz UKPOYJZVOZXHBM-UHFFFAOYSA-N 0 1 245.673 2.051 20 0 BEADMN c1cc(Nc2ccc(C3OCCO3)cc2)ccn1 ZINC001173883439 975955082 /nfs/dbraw/zinc/95/50/82/975955082.db2.gz PLBPTBSMSGTWEY-UHFFFAOYSA-N 0 1 242.278 2.293 20 0 BEADMN Cn1ncc2c1cccc2Nc1ccncc1 ZINC001173883839 975960249 /nfs/dbraw/zinc/96/02/49/975960249.db2.gz WQLPGDUSVJZFRR-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN OCc1ccc(Cl)cc1Nc1ccncc1 ZINC001173884207 975964020 /nfs/dbraw/zinc/96/40/20/975964020.db2.gz BZRZHZCIRXWFBF-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN COc1cc(F)cc(Nc2ccncc2)c1 ZINC001173884167 975965418 /nfs/dbraw/zinc/96/54/18/975965418.db2.gz ABLMQQPAZSRKNG-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN c1noc2cc(Nc3ccncc3)ccc12 ZINC001173884926 975966713 /nfs/dbraw/zinc/96/67/13/975966713.db2.gz YCERYXMNDNHPCQ-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN Oc1cc(F)c(Nc2ccncc2)cc1F ZINC001173884406 975966751 /nfs/dbraw/zinc/96/67/51/975966751.db2.gz HOXCHTHNSZKSAS-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN COc1ccc(C(C)=O)c(Nc2ccncc2)c1 ZINC001173884844 975971581 /nfs/dbraw/zinc/97/15/81/975971581.db2.gz UPDHLZPGSMOXEW-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN COC(=O)c1c(C)cccc1Nc1ccncc1 ZINC001173884438 975973086 /nfs/dbraw/zinc/97/30/86/975973086.db2.gz ISOSSXUIGPUPMF-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN COc1ccc(-n2c(N)nc3ccccc32)cn1 ZINC001173957806 975995566 /nfs/dbraw/zinc/99/55/66/975995566.db2.gz MASBSIJRARMCFH-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN FC(F)c1noc(CNC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC001333793386 976083237 /nfs/dbraw/zinc/08/32/37/976083237.db2.gz SBQSCLTVIGLODV-RNLVFQAGSA-N 0 1 243.257 2.143 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CCO[C@H]1C ZINC001333877255 976139422 /nfs/dbraw/zinc/13/94/22/976139422.db2.gz WGLKWGKWEQOUTD-CABZTGNLSA-N 0 1 239.290 2.101 20 0 BEADMN COC(=O)c1cccc(CNC/C=C\Cl)c1 ZINC001333895564 976148993 /nfs/dbraw/zinc/14/89/93/976148993.db2.gz OJZJKXZJGBGFFI-UTCJRWHESA-N 0 1 239.702 2.315 20 0 BEADMN C1=C(Nc2ncccc2N2CCOCC2)CCC1 ZINC001173999550 976154612 /nfs/dbraw/zinc/15/46/12/976154612.db2.gz RDWDXQJZNGFIGN-UHFFFAOYSA-N 0 1 245.326 2.398 20 0 BEADMN CCn1cc(Cl)c(NCc2cc(C)[nH]n2)n1 ZINC001334033505 976229513 /nfs/dbraw/zinc/22/95/13/976229513.db2.gz PLJYIFGVPDXLRF-UHFFFAOYSA-N 0 1 239.710 2.200 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1nc(=O)[nH]cc1Cl ZINC001228480833 976246644 /nfs/dbraw/zinc/24/66/44/976246644.db2.gz PUVCUEGMTSPIRN-XPUUQOCRSA-N 0 1 228.679 2.403 20 0 BEADMN COc1ncccc1-n1c(N)nc2ccccc21 ZINC001174040467 976248149 /nfs/dbraw/zinc/24/81/49/976248149.db2.gz KXUMNMVQGPTFPU-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN Cc1ncn(-c2ccc3c(ccn3C)c2)c1N ZINC001174097940 976295879 /nfs/dbraw/zinc/29/58/79/976295879.db2.gz YIFPUCTYXXCNET-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN CC1(C)CN(Cc2cnn(CCF)c2)C1(C)C ZINC001334107467 976310678 /nfs/dbraw/zinc/31/06/78/976310678.db2.gz FBDYCRYDDNMIMS-UHFFFAOYSA-N 0 1 239.338 2.473 20 0 BEADMN CCc1onc(C)c1CNCCOC1CCC1 ZINC001334189747 976362822 /nfs/dbraw/zinc/36/28/22/976362822.db2.gz YYTMLLKODDYNOA-UHFFFAOYSA-N 0 1 238.331 2.204 20 0 BEADMN C1=CCC(Oc2ccc3[nH]nnc3c2)C1 ZINC001228663400 976421299 /nfs/dbraw/zinc/42/12/99/976421299.db2.gz CLHCNDZDRXIMIJ-UHFFFAOYSA-N 0 1 201.229 2.055 20 0 BEADMN C1=C[C@@H](Oc2ccc3[nH]nnc3c2)CC1 ZINC001228668116 976426630 /nfs/dbraw/zinc/42/66/30/976426630.db2.gz YOEGSCTWKKDQSB-MRVPVSSYSA-N 0 1 201.229 2.055 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1cc(CO)on1 ZINC001334404581 976499055 /nfs/dbraw/zinc/49/90/55/976499055.db2.gz YGKTTWHNKHLSIF-IVZWLZJFSA-N 0 1 242.294 2.098 20 0 BEADMN Nc1ccc2ncn(-c3ccc4n[nH]cc4c3)c2c1 ZINC001174274317 976499078 /nfs/dbraw/zinc/49/90/78/976499078.db2.gz ZAMKJGVNCXIXDB-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1cc(C2CC2)nn1-c1ccc2n[nH]cc2c1 ZINC001174273604 976501085 /nfs/dbraw/zinc/50/10/85/976501085.db2.gz ZELRWGUAOSPEDH-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN Cc1ncc(Nc2ccc3nccn3c2)c(C)n1 ZINC001174278033 976502823 /nfs/dbraw/zinc/50/28/23/976502823.db2.gz IKTOYYKFTIISER-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN CCn1cc(Nc2ccc3nccn3c2)cn1 ZINC001174277382 976507903 /nfs/dbraw/zinc/50/79/03/976507903.db2.gz SKXUHGZEROQMGA-UHFFFAOYSA-N 0 1 227.271 2.294 20 0 BEADMN CCN1CC[C@@H](Oc2ncc(Cl)cc2F)C1 ZINC001228831787 976508432 /nfs/dbraw/zinc/50/84/32/976508432.db2.gz IYLFTRXTQBARHG-SECBINFHSA-N 0 1 244.697 2.347 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@]2(C)C=CCC2)n1 ZINC001334429770 976515139 /nfs/dbraw/zinc/51/51/39/976515139.db2.gz QKSQVUSRXWZTEV-GFCCVEGCSA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)c1nc(NC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC001334429770 976515155 /nfs/dbraw/zinc/51/51/55/976515155.db2.gz QKSQVUSRXWZTEV-GFCCVEGCSA-N 0 1 234.303 2.223 20 0 BEADMN COc1cc(-n2c(N)nc3ccccc32)ccn1 ZINC001174304826 976515021 /nfs/dbraw/zinc/51/50/21/976515021.db2.gz AGVIKOPGNWIMGI-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN Cc1ncn(-c2ccc(C(F)(F)F)nc2)c1N ZINC001174310558 976520565 /nfs/dbraw/zinc/52/05/65/976520565.db2.gz YCLQFQMNCOZBIP-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN c1n[nH]c2cccc(Nc3cncnc3)c12 ZINC001174341943 976562745 /nfs/dbraw/zinc/56/27/45/976562745.db2.gz BPLMYSZUSDHTRQ-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Oc1cccnc1Nc1cccc2[nH]ncc21 ZINC001174342037 976563290 /nfs/dbraw/zinc/56/32/90/976563290.db2.gz BUEBZYPQGJBZMG-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN CN(c1cccc2[nH]ncc21)c1ncccc1N ZINC001174343135 976568131 /nfs/dbraw/zinc/56/81/31/976568131.db2.gz RKDVCZNYVZEXOM-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CC[C@H](C)CC2)n1 ZINC001228917587 976575897 /nfs/dbraw/zinc/57/58/97/976575897.db2.gz GVCZVGQVPLSBCK-KYZUINATSA-N 0 1 238.287 2.148 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CCCC[C@@H]2C)n1 ZINC001228918076 976581216 /nfs/dbraw/zinc/58/12/16/976581216.db2.gz LKTHCKWZUXPGDB-IUCAKERBSA-N 0 1 238.287 2.148 20 0 BEADMN Cc1cc(CN2CC(C)(c3ccccc3)C2)n[nH]1 ZINC001334673618 976586326 /nfs/dbraw/zinc/58/63/26/976586326.db2.gz QTFOSRQOLUFFOO-UHFFFAOYSA-N 0 1 241.338 2.492 20 0 BEADMN CCc1onc(C)c1CSCc1nnc[nH]1 ZINC001334704236 976587461 /nfs/dbraw/zinc/58/74/61/976587461.db2.gz CCTVPGQCFCKLNB-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN FCCn1cnc(Nc2ccc3cn[nH]c3c2)c1 ZINC001174498630 976715252 /nfs/dbraw/zinc/71/52/52/976715252.db2.gz HULNSLSYXBWZSN-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN OCc1ccc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174497897 976721991 /nfs/dbraw/zinc/72/19/91/976721991.db2.gz AGDDNGXWCYVFNM-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1nccnc1Nc1ccc2cn[nH]c2c1 ZINC001174498840 976729887 /nfs/dbraw/zinc/72/98/87/976729887.db2.gz KACYJEAZJHSDMO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001334886516 976770078 /nfs/dbraw/zinc/77/00/78/976770078.db2.gz BEQCRFKXKOAVEG-VXGBXAGGSA-N 0 1 246.358 2.384 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(N)cc1F ZINC001174479138 976800693 /nfs/dbraw/zinc/80/06/93/976800693.db2.gz DSDLMKLXVOBLIS-UHFFFAOYSA-N 0 1 242.257 2.329 20 0 BEADMN COc1nccc(CN[C@H]2C=CCCC2)c1F ZINC001334982326 976812893 /nfs/dbraw/zinc/81/28/93/976812893.db2.gz MCWBYLFZWBCBSN-NSHDSACASA-N 0 1 236.290 2.428 20 0 BEADMN Cc1cnccc1-n1ncc2cc(N)ccc21 ZINC001174537688 976826029 /nfs/dbraw/zinc/82/60/29/976826029.db2.gz MYXAYIJTMZRDPE-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1CC[C@@H](CF)C1 ZINC001335089215 976848093 /nfs/dbraw/zinc/84/80/93/976848093.db2.gz NTJGSVHPTDXPDK-QMMMGPOBSA-N 0 1 245.729 2.417 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000697595237 976851529 /nfs/dbraw/zinc/85/15/29/976851529.db2.gz ZKQVQFFLIAOJAI-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1CCN1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174556904 976865338 /nfs/dbraw/zinc/86/53/38/976865338.db2.gz MSCHTHSYIUICJW-ZETCQYMHSA-N 0 1 249.701 2.451 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H]2CCC[C@@H]2C)n1 ZINC001229440174 976871054 /nfs/dbraw/zinc/87/10/54/976871054.db2.gz JJZKKGBIDIOCJQ-CBAPKCEASA-N 0 1 232.287 2.229 20 0 BEADMN CC(C)CCNc1ccc2nn[nH]c2c1 ZINC000147816413 976889375 /nfs/dbraw/zinc/88/93/75/976889375.db2.gz IXICOQBKZVNNLN-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN CC(C)CCNc1ccc2n[nH]nc2c1 ZINC000147816413 976889379 /nfs/dbraw/zinc/88/93/79/976889379.db2.gz IXICOQBKZVNNLN-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN Cc1nnc(SCc2cc(C)cc(C)n2)[nH]1 ZINC001335236752 976893376 /nfs/dbraw/zinc/89/33/76/976893376.db2.gz CZLNABMYDHIGCM-UHFFFAOYSA-N 0 1 234.328 2.417 20 0 BEADMN CC(=O)c1cccc(O)c1OC1CCN(C)CC1 ZINC001229647781 976930901 /nfs/dbraw/zinc/93/09/01/976930901.db2.gz MVTRZNCQTWTGKR-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CCO[C@@H](C)n1cc(Nc2c(C)ncn2C)cn1 ZINC001174695374 976985625 /nfs/dbraw/zinc/98/56/25/976985625.db2.gz GIHWZVSNEGSSAV-JTQLQIEISA-N 0 1 249.318 2.224 20 0 BEADMN CCO[C@H](C)n1cc(Nc2c(C)ncn2C)cn1 ZINC001174695375 976987173 /nfs/dbraw/zinc/98/71/73/976987173.db2.gz GIHWZVSNEGSSAV-SNVBAGLBSA-N 0 1 249.318 2.224 20 0 BEADMN CCC[N@@H+](CCOC1CCCCC1)CC(=O)[O-] ZINC000701339807 977008011 /nfs/dbraw/zinc/00/80/11/977008011.db2.gz QRZWBEOBVZXWRV-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1nc[nH]c(=O)c1Cl ZINC001230014646 977065110 /nfs/dbraw/zinc/06/51/10/977065110.db2.gz OCKCSXJNJVAURW-BQBZGAKWSA-N 0 1 228.679 2.403 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)[C@@H]1CCN1C1CCCC1 ZINC001330854403 977118639 /nfs/dbraw/zinc/11/86/39/977118639.db2.gz SGWOQQDECUHBRU-OCCSQVGLSA-N 0 1 248.370 2.228 20 0 BEADMN Nc1cncn1-c1cccc2cccnc21 ZINC001174857770 977127635 /nfs/dbraw/zinc/12/76/35/977127635.db2.gz SZVTVPVXCBDSNI-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CC[C@H](C)CC2)n1 ZINC001230281619 977157840 /nfs/dbraw/zinc/15/78/40/977157840.db2.gz BHNREBGGAWWNHW-KYZUINATSA-N 0 1 238.287 2.154 20 0 BEADMN CC(C)OC(=O)c1cccc(Nc2nnco2)c1 ZINC001174914257 977159127 /nfs/dbraw/zinc/15/91/27/977159127.db2.gz TZEWCXSNUBJNFL-UHFFFAOYSA-N 0 1 247.254 2.378 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CCC[C@@H](C)C2)n1 ZINC001230279961 977160301 /nfs/dbraw/zinc/16/03/01/977160301.db2.gz KQDWJYRSHGMOQH-BDAKNGLRSA-N 0 1 238.287 2.154 20 0 BEADMN COCc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001174918402 977164505 /nfs/dbraw/zinc/16/45/05/977164505.db2.gz BVFVLYFPGXJCPN-UHFFFAOYSA-N 0 1 244.294 2.464 20 0 BEADMN Oc1ccc(F)cc1O[C@H]1CN2CCC1CC2 ZINC001230291894 977167680 /nfs/dbraw/zinc/16/76/80/977167680.db2.gz XTWRDPQPNCITME-ZDUSSCGKSA-N 0 1 237.274 2.004 20 0 BEADMN CC(=O)c1cccc(C)c1O[C@@H]1CCN(C)C1 ZINC001230318170 977178849 /nfs/dbraw/zinc/17/88/49/977178849.db2.gz CTXCNIJPXAPUJA-GFCCVEGCSA-N 0 1 233.311 2.281 20 0 BEADMN CCOc1cc(-n2cnc(C)c2N)ccc1F ZINC001175049475 977248563 /nfs/dbraw/zinc/24/85/63/977248563.db2.gz BDVOAYBSRWOSOK-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN COc1ccc(F)c(-n2cnc(C)c2N)c1F ZINC001175121074 977280218 /nfs/dbraw/zinc/28/02/18/977280218.db2.gz NYVBQLMDOWDDTD-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1ccncc1F ZINC001175197500 977298728 /nfs/dbraw/zinc/29/87/28/977298728.db2.gz YKIZOGCLHOPGMM-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN CCCCc1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001335839380 977315916 /nfs/dbraw/zinc/31/59/16/977315916.db2.gz ZBGBTHLMTVZNFS-UHFFFAOYSA-N 0 1 231.299 2.360 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)cc1C ZINC001175167413 977321152 /nfs/dbraw/zinc/32/11/52/977321152.db2.gz XPEGESCLQNUVDT-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN CCOc1cc(C)c(-n2cncc2N)c(C)c1 ZINC001175172489 977324818 /nfs/dbraw/zinc/32/48/18/977324818.db2.gz DOVBQAUAPWWRCF-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN F[C@H]1CCCC[C@@H]1Oc1nncc2n[nH]cc21 ZINC001230901296 977371353 /nfs/dbraw/zinc/37/13/53/977371353.db2.gz PHHDIXHJIZRNEP-WPRPVWTQSA-N 0 1 236.250 2.012 20 0 BEADMN Cn1ccnc1Nc1cnc2cccnc2c1 ZINC001175354795 977391489 /nfs/dbraw/zinc/39/14/89/977391489.db2.gz KUEDHSWXNAHZCX-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN CN1CCC12CN(Cc1cccc3c1CCC3)C2 ZINC001277477766 977422906 /nfs/dbraw/zinc/42/29/06/977422906.db2.gz BOHQVRDEQFVXSO-UHFFFAOYSA-N 0 1 242.366 2.065 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ccnn1C ZINC001175525523 977505428 /nfs/dbraw/zinc/50/54/28/977505428.db2.gz LPTGYJWDHKUKQW-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nnc(Nc2c3c[nH]nc3ccc2C)o1 ZINC001175526509 977508976 /nfs/dbraw/zinc/50/89/76/977508976.db2.gz XNIHDYUNPBCSOT-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN COc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1C ZINC001594128478 977519727 /nfs/dbraw/zinc/51/97/27/977519727.db2.gz SJLZOKJVIHUUPU-LBPRGKRZSA-N 0 1 249.310 2.053 20 0 BEADMN CCOc1ccc(NC2=CCCN(C)C2)cn1 ZINC001175575563 977578622 /nfs/dbraw/zinc/57/86/22/977578622.db2.gz ZWZQAPAQXIVKJL-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN CN1CCC=C(Nc2cnn3cccc(F)c23)C1 ZINC001175575967 977581832 /nfs/dbraw/zinc/58/18/32/977581832.db2.gz DSOHVJXGFKBKND-UHFFFAOYSA-N 0 1 246.289 2.105 20 0 BEADMN COc1cc(C)c(NC2=CCCN(C)C2)cn1 ZINC001175575486 977582703 /nfs/dbraw/zinc/58/27/03/977582703.db2.gz XPUHBSGQSZWOJT-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN CN1CCC=C(Nc2nccc3cnccc32)C1 ZINC001175576335 977583266 /nfs/dbraw/zinc/58/32/66/977583266.db2.gz GKQZXBSZXKSXGJ-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN Cc1cccc(NC2=CCCN(C)C2)c1O ZINC001175577155 977585971 /nfs/dbraw/zinc/58/59/71/977585971.db2.gz YEUNUQJVFHXWNZ-UHFFFAOYSA-N 0 1 218.300 2.332 20 0 BEADMN CCOc1cc(NC2=CCCN(C)C2)cc(C)n1 ZINC001175577273 977587021 /nfs/dbraw/zinc/58/70/21/977587021.db2.gz PRJUADTYPWSLDW-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN COC(=O)c1cccc(NC2=CCCN(C)C2)c1 ZINC001175577154 977589355 /nfs/dbraw/zinc/58/93/55/977589355.db2.gz YEMJAOCIEFRKET-UHFFFAOYSA-N 0 1 246.310 2.105 20 0 BEADMN COc1ccc(NC2=CCCN(C)C2)c(O)c1 ZINC001175580132 977593898 /nfs/dbraw/zinc/59/38/98/977593898.db2.gz UPFICTBHTHYANZ-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN CN1CCC=C(Nc2ccc3[nH]c(=O)oc3c2)C1 ZINC001175580249 977600009 /nfs/dbraw/zinc/60/00/09/977600009.db2.gz XIQLRKAQGDYEDX-UHFFFAOYSA-N 0 1 245.282 2.165 20 0 BEADMN c1[nH]nc2c1cccc2Nc1ccncc1 ZINC001175635382 977605598 /nfs/dbraw/zinc/60/55/98/977605598.db2.gz HDZXROFNNNBKDJ-UHFFFAOYSA-N 0 1 210.240 2.123 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc2c[nH]nc21 ZINC001175635892 977607091 /nfs/dbraw/zinc/60/70/91/977607091.db2.gz MOHWFTMEXLBAAN-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cc1cc(C)cc(CC[N@@H+](C)CCC(=O)[O-])c1 ZINC001594294829 977607547 /nfs/dbraw/zinc/60/75/47/977607547.db2.gz KFRXNLSIUTWIQB-UHFFFAOYSA-N 0 1 235.327 2.252 20 0 BEADMN CC1(C)CN(Cc2c[nH]c3cnccc23)CCO1 ZINC001231513806 977619092 /nfs/dbraw/zinc/61/90/92/977619092.db2.gz ASXUTYWTWNRZBR-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN F[C@H]1CCCN(Cc2c[nH]c3cnccc23)C1 ZINC001231519215 977625282 /nfs/dbraw/zinc/62/52/82/977625282.db2.gz ZZENFIYDGNXDPS-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN CC(C)Oc1ccc(CN(C)C2CC2)cn1 ZINC001231531939 977626879 /nfs/dbraw/zinc/62/68/79/977626879.db2.gz KFZKTJDBMPVIMV-UHFFFAOYSA-N 0 1 220.316 2.463 20 0 BEADMN c1nnc(Nc2ccc3ccncc3c2)o1 ZINC001175700927 977630665 /nfs/dbraw/zinc/63/06/65/977630665.db2.gz BWYWQPIQQDPTEH-UHFFFAOYSA-N 0 1 212.212 2.361 20 0 BEADMN Cc1[nH]nc2cc(Nc3cn[nH]c(=O)c3)ccc12 ZINC001175656315 977635470 /nfs/dbraw/zinc/63/54/70/977635470.db2.gz FKWFYMVDJNVDJJ-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1[nH]nc2cc(Nc3cncnc3)ccc21 ZINC001175658926 977635831 /nfs/dbraw/zinc/63/58/31/977635831.db2.gz AZFIDZLVIHFFNB-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1[nH]nc2cc(Nc3ncccn3)ccc21 ZINC001175657872 977637574 /nfs/dbraw/zinc/63/75/74/977637574.db2.gz PLUUYLJFAMQEGG-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1[nH]nc2cc(-n3cccc3N)ccc12 ZINC001175660808 977642359 /nfs/dbraw/zinc/64/23/59/977642359.db2.gz VKDMEPYAKFBBHS-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN CCN(CCOC)Cc1ccc(F)cc1OC ZINC001231603318 977643252 /nfs/dbraw/zinc/64/32/52/977643252.db2.gz ZIOYKQQWEUYIJO-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)nc1 ZINC001231639052 977662029 /nfs/dbraw/zinc/66/20/29/977662029.db2.gz XTZVJBVBMTVOIH-OKILXGFUSA-N 0 1 244.338 2.340 20 0 BEADMN COc1cc(F)c(Nc2nonc2C)c(F)c1 ZINC001175720412 977663220 /nfs/dbraw/zinc/66/32/20/977663220.db2.gz JFFGUGPRSIBOQG-UHFFFAOYSA-N 0 1 241.197 2.408 20 0 BEADMN Cn1cnc2ncnc-2c1N=C1CCCCC1 ZINC001175753090 977702220 /nfs/dbraw/zinc/70/22/20/977702220.db2.gz QGQQVIPUIGJTMB-UHFFFAOYSA-N 0 1 229.287 2.185 20 0 BEADMN CCCn1nc(C)cc1Nc1cnc(C)n1C ZINC001175801648 977709702 /nfs/dbraw/zinc/70/97/02/977709702.db2.gz QIBINFGVUMJNLV-UHFFFAOYSA-N 0 1 233.319 2.387 20 0 BEADMN Cc1ncn(-c2cnn(C3CCCCC3)c2)c1N ZINC001175878846 977772027 /nfs/dbraw/zinc/77/20/27/977772027.db2.gz LIDAPWNCTQOHAF-UHFFFAOYSA-N 0 1 245.330 2.465 20 0 BEADMN C[C@@H]1CCN1Cc1cccc2c1OCCO2 ZINC001231882023 977783617 /nfs/dbraw/zinc/78/36/17/977783617.db2.gz KWXVRXWCWSMNGX-SNVBAGLBSA-N 0 1 219.284 2.052 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2nccnc2CN)CC1 ZINC001336589283 977800550 /nfs/dbraw/zinc/80/05/50/977800550.db2.gz AHIJKDMQNAHXAL-GHMZBOCLSA-N 0 1 234.347 2.316 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCCOC2)cnc1F ZINC001231929697 977802487 /nfs/dbraw/zinc/80/24/87/977802487.db2.gz ILBLXJZDOJRUGW-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CC[C@H]1CCCN(Cc2cnc(OC)cn2)C1 ZINC001231936252 977805378 /nfs/dbraw/zinc/80/53/78/977805378.db2.gz NRDKPAIZGOONPF-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN C[C@@H]1CCC[C@H](CNc2nccnc2CN)[C@H]1C ZINC001336611180 977810783 /nfs/dbraw/zinc/81/07/83/977810783.db2.gz DCAWRZGYHLPRKG-GRYCIOLGSA-N 0 1 248.374 2.420 20 0 BEADMN C[C@@H]1CCC[C@@H](CNc2nccnc2CN)[C@H]1C ZINC001336611184 977810853 /nfs/dbraw/zinc/81/08/53/977810853.db2.gz DCAWRZGYHLPRKG-WOPDTQHZSA-N 0 1 248.374 2.420 20 0 BEADMN COc1cnc(C[N@H+]2CCCC3(CCC3)C2)cn1 ZINC001231940963 977811646 /nfs/dbraw/zinc/81/16/46/977811646.db2.gz MCTPVVBHJVEORH-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN COc1cnc(CN2CCCC3(CCC3)C2)cn1 ZINC001231940963 977811649 /nfs/dbraw/zinc/81/16/49/977811649.db2.gz MCTPVVBHJVEORH-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN COc1ccnc(CN2CCC[C@H](CF)C2)c1 ZINC001231968813 977813596 /nfs/dbraw/zinc/81/35/96/977813596.db2.gz CNYITWFUIFWOMU-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN CN(C)Cc1ncccc1C(F)(F)F ZINC001231961771 977814486 /nfs/dbraw/zinc/81/44/86/977814486.db2.gz PSZHYPZUIGEJFV-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN COc1ccnc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001231968059 977814628 /nfs/dbraw/zinc/81/46/28/977814628.db2.gz QFAMRAQKEGHVKN-XHVZSJERSA-N 0 1 236.290 2.023 20 0 BEADMN Cc1cc(Nc2cncn2C)cc(C)c1N ZINC001175934119 977819140 /nfs/dbraw/zinc/81/91/40/977819140.db2.gz RNWNCLLZPOOGSM-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN COC[C@H]1CCCN1Cc1cnc(F)cc1C ZINC001231979895 977822358 /nfs/dbraw/zinc/82/23/58/977822358.db2.gz KUXPVPMSJPYZGB-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc(C)n1 ZINC001231996434 977829385 /nfs/dbraw/zinc/82/93/85/977829385.db2.gz CWEUEMYMCJMVAK-IHRRRGAJSA-N 0 1 234.318 2.488 20 0 BEADMN Cc1cc(CN2CCSCC2)cc(C)n1 ZINC001231996368 977831637 /nfs/dbraw/zinc/83/16/37/977831637.db2.gz BYGNWZRPHYOQNV-UHFFFAOYSA-N 0 1 222.357 2.247 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(C)n1 ZINC001231996436 977832318 /nfs/dbraw/zinc/83/23/18/977832318.db2.gz CWEUEMYMCJMVAK-MELADBBJSA-N 0 1 234.318 2.488 20 0 BEADMN CCC[C@H](Nc1nccnc1CN)C1CCC1 ZINC001336665734 977840586 /nfs/dbraw/zinc/84/05/86/977840586.db2.gz MLCAOQFRRFRFTK-NSHDSACASA-N 0 1 234.347 2.316 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001594839629 977846564 /nfs/dbraw/zinc/84/65/64/977846564.db2.gz QKCJNGPUIIVOJO-STQMWFEESA-N 0 1 249.285 2.436 20 0 BEADMN Cc1ncccc1Nc1ccc2nn[nH]c2c1 ZINC001175996328 977854836 /nfs/dbraw/zinc/85/48/36/977854836.db2.gz PUSUGWPSRCHUQK-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ncccc1Nc1ccc2n[nH]nc2c1 ZINC001175996328 977854845 /nfs/dbraw/zinc/85/48/45/977854845.db2.gz PUSUGWPSRCHUQK-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1ccncc1Nc1ccc2nn[nH]c2c1 ZINC001175998470 977855614 /nfs/dbraw/zinc/85/56/14/977855614.db2.gz ABNNLJRPLVPTJX-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1ccncc1Nc1ccc2n[nH]nc2c1 ZINC001175998470 977855616 /nfs/dbraw/zinc/85/56/16/977855616.db2.gz ABNNLJRPLVPTJX-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Clc1cnncc1Nc1ccc2nn[nH]c2c1 ZINC001175998986 977855703 /nfs/dbraw/zinc/85/57/03/977855703.db2.gz PXZLFGMOMDCDBF-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cnncc1Nc1ccc2n[nH]nc2c1 ZINC001175998986 977855706 /nfs/dbraw/zinc/85/57/06/977855706.db2.gz PXZLFGMOMDCDBF-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC001594873376 977862300 /nfs/dbraw/zinc/86/23/00/977862300.db2.gz NJDQKPPKZSPCKT-ZJUUUORDSA-N 0 1 245.388 2.313 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCCSCC2)CCC1 ZINC001594879205 977865921 /nfs/dbraw/zinc/86/59/21/977865921.db2.gz AOKGLALISPJMDE-UHFFFAOYSA-N 0 1 243.372 2.070 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1cncc(O)c1 ZINC001232046369 977873762 /nfs/dbraw/zinc/87/37/62/977873762.db2.gz IVADZXYQFNURBV-CYBMUJFWSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+]1Cc1cncc([O-])c1 ZINC001232046369 977873767 /nfs/dbraw/zinc/87/37/67/977873767.db2.gz IVADZXYQFNURBV-CYBMUJFWSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1cncc([O-])c1 ZINC001232046369 977873769 /nfs/dbraw/zinc/87/37/69/977873769.db2.gz IVADZXYQFNURBV-CYBMUJFWSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CN(Cc2cc3ncccc3[nH]2)CCCO1 ZINC001232063058 977876761 /nfs/dbraw/zinc/87/67/61/977876761.db2.gz HPEMQPPRKBYQME-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN [O-]c1cc(Nc2[nH]cc[nH+]2)cc(F)c1F ZINC001176084400 977883711 /nfs/dbraw/zinc/88/37/11/977883711.db2.gz OBCNXICMSBKHBN-UHFFFAOYSA-N 0 1 211.171 2.137 20 0 BEADMN COC(=O)c1c(F)cccc1Nc1ncc[nH]1 ZINC001176084073 977884820 /nfs/dbraw/zinc/88/48/20/977884820.db2.gz ICLGRZZJUXKQEJ-UHFFFAOYSA-N 0 1 235.218 2.079 20 0 BEADMN CC(=O)c1cccc(O)c1Nc1ncc[nH]1 ZINC001176085219 977887239 /nfs/dbraw/zinc/88/72/39/977887239.db2.gz GTYKAKANMSCLQV-UHFFFAOYSA-N 0 1 217.228 2.062 20 0 BEADMN FC1CCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232089631 977890647 /nfs/dbraw/zinc/89/06/47/977890647.db2.gz BTHPHOKWFYLYTN-UHFFFAOYSA-N 0 1 233.290 2.497 20 0 BEADMN COC(=O)c1cc(C)c(F)cc1Nc1ncc[nH]1 ZINC001176090454 977890699 /nfs/dbraw/zinc/89/06/99/977890699.db2.gz FYDIZDUAPJVWIT-UHFFFAOYSA-N 0 1 249.245 2.387 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)C1CC=CC1 ZINC001336731951 977891808 /nfs/dbraw/zinc/89/18/08/977891808.db2.gz PHSVYYFGSQVEHL-UHFFFAOYSA-N 0 1 242.282 2.171 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cc3ccncc3[nH]2)C1 ZINC001232097964 977894623 /nfs/dbraw/zinc/89/46/23/977894623.db2.gz WWJGECGTECQYJJ-JTQLQIEISA-N 0 1 245.326 2.030 20 0 BEADMN Cn1cc(N=C2CCOCC2)c(C(F)(F)F)n1 ZINC001176140980 977920993 /nfs/dbraw/zinc/92/09/93/977920993.db2.gz OYVCTFUBMHNXKH-UHFFFAOYSA-N 0 1 247.220 2.155 20 0 BEADMN O=C([O-])CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC001595055326 977929699 /nfs/dbraw/zinc/92/96/99/977929699.db2.gz DADDOYPYFUSDRJ-UHFFFAOYSA-N 0 1 231.295 2.250 20 0 BEADMN CC(=O)c1cccc(N=C2CCOCC2)n1 ZINC001176143645 977929819 /nfs/dbraw/zinc/92/98/19/977929819.db2.gz FAPGAHYHWBSDQV-UHFFFAOYSA-N 0 1 218.256 2.000 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001595055510 977932456 /nfs/dbraw/zinc/93/24/56/977932456.db2.gz MQFNNOLYFVWYIG-LLVKDONJSA-N 0 1 223.247 2.047 20 0 BEADMN c1nnc(CN2CCC[C@@H](C3CCC3)CC2)[nH]1 ZINC001336808119 977973428 /nfs/dbraw/zinc/97/34/28/977973428.db2.gz NUWWAXLICGRTJX-GFCCVEGCSA-N 0 1 234.347 2.207 20 0 BEADMN COCOc1ccc(Nc2ccncc2)cc1F ZINC001176187045 977986694 /nfs/dbraw/zinc/98/66/94/977986694.db2.gz JUIZQCKDFNOLJL-UHFFFAOYSA-N 0 1 248.257 2.369 20 0 BEADMN Cc1nnc(Nc2cncc(C3CC3)c2)o1 ZINC001176281770 978006400 /nfs/dbraw/zinc/00/64/00/978006400.db2.gz GVYGQMHVCQQNSD-UHFFFAOYSA-N 0 1 216.244 2.394 20 0 BEADMN COc1ccc(CN(C)CCSC)c(C)n1 ZINC001232338549 978013443 /nfs/dbraw/zinc/01/34/43/978013443.db2.gz YZRDDENNKCVFIF-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN Cn1cnc(Nc2c(F)cc(F)c(F)c2F)n1 ZINC001176345597 978034207 /nfs/dbraw/zinc/03/42/07/978034207.db2.gz FIFCRCCTFPXYMK-UHFFFAOYSA-N 0 1 246.167 2.115 20 0 BEADMN CC(C)(C(=O)NC[C@@]1(C)CC1(C)C)c1cnc[nH]1 ZINC001336898538 978037997 /nfs/dbraw/zinc/03/79/97/978037997.db2.gz VSDOWGNXQPDHBS-CQSZACIVSA-N 0 1 249.358 2.240 20 0 BEADMN OCc1cc(Nc2ccc(O)cc2F)ccn1 ZINC001176411261 978077243 /nfs/dbraw/zinc/07/72/43/978077243.db2.gz XMPPIEJKTOKNHJ-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN Cn1cncc1Nc1ccc(O)cc1F ZINC001176410897 978079500 /nfs/dbraw/zinc/07/95/00/978079500.db2.gz MDLCZHGECLXIGR-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Cc1ncc(CN(C)Cc2ccsc2)[nH]1 ZINC001232463793 978108787 /nfs/dbraw/zinc/10/87/87/978108787.db2.gz NRLZAJUYOQXRMY-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN C[C@@H]1CCC[C@H](CNc2nccnc2CN)C1 ZINC001336998503 978118152 /nfs/dbraw/zinc/11/81/52/978118152.db2.gz MADZBXQUGMZZAX-MNOVXSKESA-N 0 1 234.347 2.174 20 0 BEADMN CCOc1cc(Nc2cncn2C)c(F)cn1 ZINC001176600511 978145312 /nfs/dbraw/zinc/14/53/12/978145312.db2.gz REJUXYCIGCJGHT-UHFFFAOYSA-N 0 1 236.250 2.097 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(F)ccn2)CC1 ZINC001232495028 978149806 /nfs/dbraw/zinc/14/98/06/978149806.db2.gz KZXVTKIEVVVWNC-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN Fc1ccnc(CN2CC3CC(C3)C2)c1 ZINC001232497379 978151420 /nfs/dbraw/zinc/15/14/20/978151420.db2.gz DTRDFMFESVCXRX-UHFFFAOYSA-N 0 1 206.264 2.063 20 0 BEADMN CN(CCc1ccncc1)Cc1cc(F)ccn1 ZINC001232497027 978153242 /nfs/dbraw/zinc/15/32/42/978153242.db2.gz YEPRGXHTPFWNPI-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCN(Cc1c(OC)cncc1OC)C(C)C ZINC001232500802 978153886 /nfs/dbraw/zinc/15/38/86/978153886.db2.gz NPQHALGDRKPAJZ-UHFFFAOYSA-N 0 1 238.331 2.329 20 0 BEADMN COc1cncc(OC)c1CN1CCC[C@@H]1C ZINC001232500123 978155052 /nfs/dbraw/zinc/15/50/52/978155052.db2.gz FMOQFMQVNCLVAY-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN COCC[N@@H+](Cc1cccc(CF)n1)C(C)C ZINC001232536516 978165090 /nfs/dbraw/zinc/16/50/90/978165090.db2.gz HOXCDMOELNKBSF-UHFFFAOYSA-N 0 1 240.322 2.408 20 0 BEADMN FCc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)n1 ZINC001232537163 978165334 /nfs/dbraw/zinc/16/53/34/978165334.db2.gz DITDYBUILFAWPM-XDTLVQLUSA-N 0 1 238.281 2.483 20 0 BEADMN CC(C)Oc1ncccc1Nc1cncn1C ZINC001176733089 978170641 /nfs/dbraw/zinc/17/06/41/978170641.db2.gz GNDFPBCSHRFTCN-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN COC[C@H]1CCC[N@H+]1Cc1cc2ccoc2cn1 ZINC001232550009 978176401 /nfs/dbraw/zinc/17/64/01/978176401.db2.gz PESOFGWGDBISBK-CYBMUJFWSA-N 0 1 246.310 2.439 20 0 BEADMN CO[C@@H]1CCN(Cc2cc3ccoc3cn2)C1 ZINC001232549390 978176799 /nfs/dbraw/zinc/17/67/99/978176799.db2.gz HFMSAFBBSMDILX-GFCCVEGCSA-N 0 1 232.283 2.049 20 0 BEADMN FC[C@H]1[C@@H]2CN(Cc3cc4ccoc4cn3)C[C@H]12 ZINC001232553733 978183232 /nfs/dbraw/zinc/18/32/32/978183232.db2.gz DCAYUSZXFQQPRF-XYYAHUGASA-N 0 1 246.285 2.475 20 0 BEADMN CCOc1ccnc(C[N@@H+](C)CC2CC2)c1 ZINC001232579088 978187002 /nfs/dbraw/zinc/18/70/02/978187002.db2.gz JMBZKXMHCDINMG-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CCOc1ccnc(CN2CCC3(CC3)C2)c1 ZINC001232581032 978188426 /nfs/dbraw/zinc/18/84/26/978188426.db2.gz GHFKHDJYSCWMPT-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN O=C([O-])CC1(C[N@@H+](Cc2ccoc2)C2CC2)CC1 ZINC000723750445 978216550 /nfs/dbraw/zinc/21/65/50/978216550.db2.gz WZJCHERZHIACFN-UHFFFAOYSA-N 0 1 249.310 2.499 20 0 BEADMN NCc1nccnc1NC[C@H]1CCC=CCCC1 ZINC001337283056 978260512 /nfs/dbraw/zinc/26/05/12/978260512.db2.gz BMTYAPWNOPKZHM-LBPRGKRZSA-N 0 1 246.358 2.484 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@H](CCO)C2)c1 ZINC000721893305 978262685 /nfs/dbraw/zinc/26/26/85/978262685.db2.gz NFAHKGWTDDZUFB-CYBMUJFWSA-N 0 1 234.343 2.297 20 0 BEADMN CC(=O)c1ccc(NC[C@H]2CCCCN2C)nc1 ZINC001337305456 978276483 /nfs/dbraw/zinc/27/64/83/978276483.db2.gz GFSGIXTVPNFSSN-CYBMUJFWSA-N 0 1 247.342 2.180 20 0 BEADMN CCCN(CCOC)Cc1cn(CCC)cn1 ZINC001232794013 978285794 /nfs/dbraw/zinc/28/57/94/978285794.db2.gz HWGKJKPZRLAFGS-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN CCCn1cnc(CN2CC[C@@H](C)C2)c1 ZINC001232796987 978287648 /nfs/dbraw/zinc/28/76/48/978287648.db2.gz GKFDBRTYGARCLC-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN COc1cc(O)cc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001232807144 978297215 /nfs/dbraw/zinc/29/72/15/978297215.db2.gz OLBBTADTMKQYFH-SMDDNHRTSA-N 0 1 233.311 2.385 20 0 BEADMN CCc1ncc(CNC(=O)C2CCC=CCC2)[nH]1 ZINC001597258066 978306268 /nfs/dbraw/zinc/30/62/68/978306268.db2.gz SOULCOZBBMXIMA-UHFFFAOYSA-N 0 1 247.342 2.335 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC001597258142 978308288 /nfs/dbraw/zinc/30/82/88/978308288.db2.gz WJPQQNOIQYNMIS-JLLWLGSASA-N 0 1 247.342 2.025 20 0 BEADMN CCc1ncc(CNC(=O)c2ccsc2C)[nH]1 ZINC001597257305 978308580 /nfs/dbraw/zinc/30/85/80/978308580.db2.gz JEDBTKVMCQFNKN-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCCSC1 ZINC001337389961 978315871 /nfs/dbraw/zinc/31/58/71/978315871.db2.gz WUGSRQCBVPMBLX-UHFFFAOYSA-N 0 1 247.323 2.100 20 0 BEADMN Cc1cc(CN(C)C)ncc1Br ZINC001232903630 978333489 /nfs/dbraw/zinc/33/34/89/978333489.db2.gz OJULYLKGJZWGJC-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN [O-]c1c(F)ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1F ZINC001232933899 978342067 /nfs/dbraw/zinc/34/20/67/978342067.db2.gz OFTGIYIAJUDOHY-DTORHVGOSA-N 0 1 225.238 2.122 20 0 BEADMN c1nc2ccc(CN3CC[C@]34CCOC4)cc2o1 ZINC001232944008 978353689 /nfs/dbraw/zinc/35/36/89/978353689.db2.gz KWDBPBLSDLTNDB-CQSZACIVSA-N 0 1 244.294 2.193 20 0 BEADMN C[C@@H]1CCN1Cc1ccc(OC(F)F)nc1 ZINC001232954543 978359390 /nfs/dbraw/zinc/35/93/90/978359390.db2.gz YUQBUNMZTMTFLA-MRVPVSSYSA-N 0 1 228.242 2.277 20 0 BEADMN CC(C)=CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001597805566 978372703 /nfs/dbraw/zinc/37/27/03/978372703.db2.gz CFIJGEWIBGIMAS-UHFFFAOYSA-N 0 1 221.304 2.116 20 0 BEADMN c1cc(C2CC2)ccc1CN1CC2(COC2)C1 ZINC001232984382 978382133 /nfs/dbraw/zinc/38/21/33/978382133.db2.gz MRDAFGNKIOXZDB-UHFFFAOYSA-N 0 1 229.323 2.396 20 0 BEADMN Cc1cc(C)c(CN2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC001233005076 978393291 /nfs/dbraw/zinc/39/32/91/978393291.db2.gz JBJJPJZDKFVYKH-OKILXGFUSA-N 0 1 244.338 2.394 20 0 BEADMN CC[N@H+](Cc1cc(Cl)ncc1[O-])C1CC1 ZINC001233032467 978412429 /nfs/dbraw/zinc/41/24/29/978412429.db2.gz FWKIDQJIHOSKDP-UHFFFAOYSA-N 0 1 226.707 2.425 20 0 BEADMN CC[N@@H+](Cc1cc(Cl)ncc1[O-])C1CC1 ZINC001233032467 978412431 /nfs/dbraw/zinc/41/24/31/978412431.db2.gz FWKIDQJIHOSKDP-UHFFFAOYSA-N 0 1 226.707 2.425 20 0 BEADMN CN(Cc1ccsc1Cl)CC1COC1 ZINC001233058928 978452695 /nfs/dbraw/zinc/45/26/95/978452695.db2.gz YEFJBKNIJCNYDW-UHFFFAOYSA-N 0 1 231.748 2.480 20 0 BEADMN C[C@@H]1CCCN1Cc1ccc(N(C)C)nc1F ZINC001233113328 978467748 /nfs/dbraw/zinc/46/77/48/978467748.db2.gz QANXGVFZUMZSQO-SNVBAGLBSA-N 0 1 237.322 2.271 20 0 BEADMN Cc1cc(CN2CCOC[C@@H](C)C2)cnc1C ZINC001233156183 978478240 /nfs/dbraw/zinc/47/82/40/978478240.db2.gz IJIZPJQJSJEKNB-NSHDSACASA-N 0 1 234.343 2.167 20 0 BEADMN OC[C@@H]1CCCC[N@H+]1Cc1ccc([S-])cc1 ZINC001233258766 978517918 /nfs/dbraw/zinc/51/79/18/978517918.db2.gz SFBPSLVXQLIDTO-LBPRGKRZSA-N 0 1 237.368 2.322 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)C1(C)COC1 ZINC001233261812 978520983 /nfs/dbraw/zinc/52/09/83/978520983.db2.gz FOLNRZZAPSVWCU-UHFFFAOYSA-N 0 1 223.341 2.196 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3c2CCO3)C1 ZINC001233274172 978524766 /nfs/dbraw/zinc/52/47/66/978524766.db2.gz GTXNJVUXAVZJLE-LLVKDONJSA-N 0 1 221.275 2.165 20 0 BEADMN F[C@H]1CN(Cc2cccc3c2CCO3)C[C@@H]2C[C@@H]21 ZINC001233274300 978526500 /nfs/dbraw/zinc/52/65/00/978526500.db2.gz LCJRIUNPUABSKW-UBHSHLNASA-N 0 1 247.313 2.411 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCO3)[C@@H](C)CO1 ZINC001233278133 978530254 /nfs/dbraw/zinc/53/02/54/978530254.db2.gz FLWGTJBUZYAHQV-NWDGAFQWSA-N 0 1 247.338 2.231 20 0 BEADMN CC(C)C[C@H]1CCCN(c2nccnc2CN)C1 ZINC001337889223 978551779 /nfs/dbraw/zinc/55/17/79/978551779.db2.gz XQQUGUYPKYDZEK-GFCCVEGCSA-N 0 1 248.374 2.198 20 0 BEADMN Cn1ccc(CNC/C=C/c2cccc(F)c2)n1 ZINC001178393256 978553348 /nfs/dbraw/zinc/55/33/48/978553348.db2.gz KNVNUXGHPJHIQS-HWKANZROSA-N 0 1 245.301 2.362 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNc1nccnc1CN ZINC001337896157 978556337 /nfs/dbraw/zinc/55/63/37/978556337.db2.gz UVJWUVFRMXBZFZ-WDEREUQCSA-N 0 1 234.347 2.174 20 0 BEADMN CCO[C@H]1CCCN(Cc2sncc2C)C1 ZINC001233320712 978558561 /nfs/dbraw/zinc/55/85/61/978558561.db2.gz KJLPXTUNNUNLQS-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN NCc1nccnc1N[C@@H]1CC12CCCCC2 ZINC001337923322 978564726 /nfs/dbraw/zinc/56/47/26/978564726.db2.gz UJCAKKZCAPSZMF-LLVKDONJSA-N 0 1 232.331 2.070 20 0 BEADMN Cc1ncc(CN2CC[C@]3(C2)CCCCO3)o1 ZINC001233365230 978576871 /nfs/dbraw/zinc/57/68/71/978576871.db2.gz GJDIOKLDNHYXJZ-ZDUSSCGKSA-N 0 1 236.315 2.128 20 0 BEADMN C[C@@]1(CCNc2ccnc(N)n2)C[C@@]1(F)Cl ZINC001338029680 978593614 /nfs/dbraw/zinc/59/36/14/978593614.db2.gz WEGBBYCDZPDLBX-ZJUUUORDSA-N 0 1 244.701 2.175 20 0 BEADMN C[C@]1(CCNc2ccnc(N)n2)C[C@@]1(F)Cl ZINC001338029678 978594340 /nfs/dbraw/zinc/59/43/40/978594340.db2.gz WEGBBYCDZPDLBX-UWVGGRQHSA-N 0 1 244.701 2.175 20 0 BEADMN CC[C@H]1CCC[C@H](Nc2n[nH]c(N(C)C)n2)C1 ZINC001178677903 978604144 /nfs/dbraw/zinc/60/41/44/978604144.db2.gz OODKCOZQXXHOTI-UWVGGRQHSA-N 0 1 237.351 2.251 20 0 BEADMN CCc1ncc(CNC(=O)C23CCC(CC2)C3)[nH]1 ZINC001178669899 978605770 /nfs/dbraw/zinc/60/57/70/978605770.db2.gz QPNNUXVJWDIWEE-UHFFFAOYSA-N 0 1 247.342 2.169 20 0 BEADMN CC[C@@H]1CCC[C@H](Nc2n[nH]c(N(C)C)n2)C1 ZINC001178677905 978605861 /nfs/dbraw/zinc/60/58/61/978605861.db2.gz OODKCOZQXXHOTI-ZJUUUORDSA-N 0 1 237.351 2.251 20 0 BEADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)C(F)(F)F ZINC001233587544 978634722 /nfs/dbraw/zinc/63/47/22/978634722.db2.gz SQDUKRLNDIKICD-GSVOUGTGSA-N 0 1 242.584 2.165 20 0 BEADMN CCC(C)=CC(=O)NCc1nc2c([nH]1)CCCC2 ZINC001178922802 978647040 /nfs/dbraw/zinc/64/70/40/978647040.db2.gz ZHYVZPOBZLZRDD-NTMALXAHSA-N 0 1 247.342 2.261 20 0 BEADMN Nc1nccc(NCCCc2ccsc2)n1 ZINC001338258427 978647411 /nfs/dbraw/zinc/64/74/11/978647411.db2.gz NPTUXQXBIPEKEQ-UHFFFAOYSA-N 0 1 234.328 2.165 20 0 BEADMN Nc1nc2c(c(NCCC(F)F)n1)CCCC2 ZINC001338299710 978654557 /nfs/dbraw/zinc/65/45/57/978654557.db2.gz VDYYERGPYHPXQZ-UHFFFAOYSA-N 0 1 242.273 2.005 20 0 BEADMN Cc1cc([C@H](C)[N@H+]2CC[C@H]3C[C@H]32)oc1C(=O)[O-] ZINC001600149842 978670409 /nfs/dbraw/zinc/67/04/09/978670409.db2.gz KQKRITYEKLDAPJ-LPEHRKFASA-N 0 1 235.283 2.441 20 0 BEADMN CSC[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001179304623 978688056 /nfs/dbraw/zinc/68/80/56/978688056.db2.gz UNLAHRRACLJRQO-SECBINFHSA-N 0 1 249.339 2.272 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1CCC1 ZINC001179303316 978689218 /nfs/dbraw/zinc/68/92/18/978689218.db2.gz ADVYPXJYDNZRFQ-UHFFFAOYSA-N 0 1 215.256 2.073 20 0 BEADMN Cc1nc([C@@H]2CCCN(Cc3ccoc3)C2)no1 ZINC001204241582 978690604 /nfs/dbraw/zinc/69/06/04/978690604.db2.gz INRXHZHQHNJROA-GFCCVEGCSA-N 0 1 247.298 2.351 20 0 BEADMN Cc1nc([C@H]2CCCN(Cc3ccoc3)C2)no1 ZINC001204241583 978691696 /nfs/dbraw/zinc/69/16/96/978691696.db2.gz INRXHZHQHNJROA-LBPRGKRZSA-N 0 1 247.298 2.351 20 0 BEADMN Cc1cccc(NCc2cc(C(=O)[O-])n(C)c2)[nH+]1 ZINC001600542378 978700907 /nfs/dbraw/zinc/70/09/07/978700907.db2.gz LGCXIMHWYKXWIY-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN Cc1cncc(C[N@H+](C)C(C)(C)CC(=O)[O-])c1 ZINC001600628755 978711176 /nfs/dbraw/zinc/71/11/76/978711176.db2.gz RCASTJAMYHJTRQ-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cn1c(C[N@H+]2CCCC3(CC3)C2)ccc1C(=O)[O-] ZINC001600914832 978742919 /nfs/dbraw/zinc/74/29/19/978742919.db2.gz OERPLQXPSUSBQC-UHFFFAOYSA-N 0 1 248.326 2.099 20 0 BEADMN NC(=[NH+]OCc1ccccc1C(=O)[O-])C1CCC1 ZINC001601137183 978779936 /nfs/dbraw/zinc/77/99/36/978779936.db2.gz VJHHYPVQKFRGNM-UHFFFAOYSA-N 0 1 248.282 2.183 20 0 BEADMN CC[C@@H](C)C(=O)NCCCN(C)C/C=C\Cl ZINC001234136904 978782537 /nfs/dbraw/zinc/78/25/37/978782537.db2.gz MDKCDXPDOIYZFR-JPVGGKMYSA-N 0 1 246.782 2.223 20 0 BEADMN CC(C)OC(=O)CN(CC1CC1)CC1CC1 ZINC000070064318 978804171 /nfs/dbraw/zinc/80/41/71/978804171.db2.gz KINCPKIBEWCVEB-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN O=C(NCC=CCl)c1n[nH]c2ccccc21 ZINC001180078128 978813037 /nfs/dbraw/zinc/81/30/37/978813037.db2.gz HXXTZTQJEBXBOH-ZZXKWVIFSA-N 0 1 235.674 2.045 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCCC2CCC2)C1 ZINC001601717297 978835060 /nfs/dbraw/zinc/83/50/60/978835060.db2.gz WYRNJTBIURNYTH-GFCCVEGCSA-N 0 1 229.295 2.065 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001601709013 978835746 /nfs/dbraw/zinc/83/57/46/978835746.db2.gz XIIHUYQAKXNHIT-GFCCVEGCSA-N 0 1 246.310 2.083 20 0 BEADMN CCn1ccc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC001180199521 978844773 /nfs/dbraw/zinc/84/47/73/978844773.db2.gz UREKERMIDBNORY-NWDGAFQWSA-N 0 1 221.348 2.381 20 0 BEADMN CC(C)CCc1ccnc(N2CCN(C)CC2)c1 ZINC001249964491 978863656 /nfs/dbraw/zinc/86/36/56/978863656.db2.gz JBTLCDDCVGIGJO-UHFFFAOYSA-N 0 1 247.386 2.422 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCCc3occc3C2)CC1 ZINC001601915191 978866005 /nfs/dbraw/zinc/86/60/05/978866005.db2.gz FNMIOCKYENBQNY-UHFFFAOYSA-N 0 1 249.310 2.283 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H]3CCCO[C@H]3C2)[nH]1 ZINC001234609751 978872608 /nfs/dbraw/zinc/87/26/08/978872608.db2.gz QEPYJBKYYWSKBL-OCCSQVGLSA-N 0 1 249.358 2.027 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001601987406 978877332 /nfs/dbraw/zinc/87/73/32/978877332.db2.gz DCIVCIVBGNLSFT-GFCCVEGCSA-N 0 1 248.326 2.126 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC001602053465 978886102 /nfs/dbraw/zinc/88/61/02/978886102.db2.gz WVTTWHSQEQQNSD-TZMCWYRMSA-N 0 1 245.322 2.339 20 0 BEADMN CCCC[C@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234688246 978898185 /nfs/dbraw/zinc/89/81/85/978898185.db2.gz YRRSCNVUIJKICK-ZETCQYMHSA-N 0 1 238.266 2.450 20 0 BEADMN CCC[C@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234688356 978898313 /nfs/dbraw/zinc/89/83/13/978898313.db2.gz ZSONCGSWJVNMMS-LURJTMIESA-N 0 1 224.239 2.059 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C)N2CCCC2)cn1 ZINC001180578176 978898666 /nfs/dbraw/zinc/89/86/66/978898666.db2.gz ZNTDZTALUXLHRK-LLVKDONJSA-N 0 1 247.342 2.067 20 0 BEADMN Cc1cccc(N)c1NC(=O)[C@@H](C)N1CCCC1 ZINC001180582057 978911493 /nfs/dbraw/zinc/91/14/93/978911493.db2.gz BINXZYJFAYIUDV-LLVKDONJSA-N 0 1 247.342 2.000 20 0 BEADMN Cc1cccc(N)c1NC(=O)[C@H](C)N1CCCC1 ZINC001180582058 978912053 /nfs/dbraw/zinc/91/20/53/978912053.db2.gz BINXZYJFAYIUDV-NSHDSACASA-N 0 1 247.342 2.000 20 0 BEADMN Cc1[nH]nc(CNc2nc(C)nc(C)c2C)c1C ZINC001339809896 978916321 /nfs/dbraw/zinc/91/63/21/978916321.db2.gz YTWAKMAYLUPSRR-UHFFFAOYSA-N 0 1 245.330 2.354 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]2C)ccc1OC ZINC001234951332 978936171 /nfs/dbraw/zinc/93/61/71/978936171.db2.gz FPSRAONZLVDRER-JTQLQIEISA-N 0 1 249.310 2.076 20 0 BEADMN CC[C@@H](CC(=O)NCCN1CC=CC1)C(C)C ZINC001339911286 978937283 /nfs/dbraw/zinc/93/72/83/978937283.db2.gz ZBORBDISFONMJL-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CCCN(Cc1ncc(F)cn1)CC1CC1 ZINC001235001247 978944964 /nfs/dbraw/zinc/94/49/64/978944964.db2.gz TYDVZZABNPTCOW-UHFFFAOYSA-N 0 1 223.295 2.238 20 0 BEADMN CCCC[N@@H+](CN1C(=O)CC1(C)C)C1CC1 ZINC001339941802 978947395 /nfs/dbraw/zinc/94/73/95/978947395.db2.gz LKJPTANOLOIACY-UHFFFAOYSA-N 0 1 224.348 2.219 20 0 BEADMN CCCCN(CN1C(=O)CC1(C)C)C1CC1 ZINC001339941802 978947400 /nfs/dbraw/zinc/94/74/00/978947400.db2.gz LKJPTANOLOIACY-UHFFFAOYSA-N 0 1 224.348 2.219 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2c(ccn2C)c1)N(C)C ZINC001180861513 978955258 /nfs/dbraw/zinc/95/52/58/978955258.db2.gz DAAUYXZUCKNRCF-JTQLQIEISA-N 0 1 245.326 2.067 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC001180865049 978959242 /nfs/dbraw/zinc/95/92/42/978959242.db2.gz RQVNDHJHGRDJNR-WOPDTQHZSA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(COC)on2)[C@@H]1C ZINC001181044706 978990981 /nfs/dbraw/zinc/99/09/81/978990981.db2.gz ZIVVSYVCZAYSHQ-GHMZBOCLSA-N 0 1 238.331 2.441 20 0 BEADMN CCc1cccc(CN2CCC[C@H](OC)C2)n1 ZINC001235248307 979002081 /nfs/dbraw/zinc/00/20/81/979002081.db2.gz AXMKKRQNPCWDDS-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CCc1cccc(CN2CCC(O)(CC)CC2)n1 ZINC001235257477 979011920 /nfs/dbraw/zinc/01/19/20/979011920.db2.gz HQGVGCGJVICXCC-UHFFFAOYSA-N 0 1 248.370 2.381 20 0 BEADMN CCc1cccc(CN(C)[C@@H]2CCCOC2)n1 ZINC001235266051 979014691 /nfs/dbraw/zinc/01/46/91/979014691.db2.gz IGBJEGKKMSFRCA-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CCc1cccc(CN2CC([C@@H](C)OC)C2)n1 ZINC001235267369 979015204 /nfs/dbraw/zinc/01/52/04/979015204.db2.gz RHFKHJNGBPXUMI-LLVKDONJSA-N 0 1 234.343 2.111 20 0 BEADMN COc1cc(CN(C)CC2CC2)c(F)cn1 ZINC001235321987 979023181 /nfs/dbraw/zinc/02/31/81/979023181.db2.gz YIPCBRQCFWZCLL-UHFFFAOYSA-N 0 1 224.279 2.071 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@@H]2C(C)(C)C)n[nH]1 ZINC001181289406 979031644 /nfs/dbraw/zinc/03/16/44/979031644.db2.gz FNNIDPAZKSUIIP-GFCCVEGCSA-N 0 1 249.358 2.298 20 0 BEADMN Cc1ncn(C)c1CN1CCCC[C@](C)(F)C1 ZINC001235538890 979081308 /nfs/dbraw/zinc/08/13/08/979081308.db2.gz QDBMHTROYFIEKO-ZDUSSCGKSA-N 0 1 239.338 2.443 20 0 BEADMN Cc1ncn(C)c1CN1CCC[C@@H](C(F)F)C1 ZINC001235551197 979091095 /nfs/dbraw/zinc/09/10/95/979091095.db2.gz CWMVOIGAUGLCCH-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN O=C([O-])c1coc(C[NH+]2CC(CC(F)F)C2)c1 ZINC001602554023 979129947 /nfs/dbraw/zinc/12/99/47/979129947.db2.gz SNTCVNZKKIQQEU-UHFFFAOYSA-N 0 1 245.225 2.065 20 0 BEADMN CO[C@H](C)CC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181547002 979149425 /nfs/dbraw/zinc/14/94/25/979149425.db2.gz PDEKERWCXBPDDJ-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C1CC1)[C@@H]1C=CCCC1 ZINC001602819828 979267319 /nfs/dbraw/zinc/26/73/19/979267319.db2.gz JHWYUNUFCLACLZ-NXEZZACHSA-N 0 1 209.289 2.033 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCc2ccc(F)cc2C1 ZINC001602957669 979338034 /nfs/dbraw/zinc/33/80/34/979338034.db2.gz JOSNADHTCRGVFS-UXBLZVDNSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC001602956839 979340530 /nfs/dbraw/zinc/34/05/30/979340530.db2.gz AEGXALOZCJRQHF-NKLKJHRZSA-N 0 1 245.269 2.139 20 0 BEADMN NCc1ncc(-c2cccc(C3CC3)c2)cn1 ZINC001236085296 979369325 /nfs/dbraw/zinc/36/93/25/979369325.db2.gz PYPOEBDDOYBORU-UHFFFAOYSA-N 0 1 225.295 2.480 20 0 BEADMN CC(C)CCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001603021526 979371600 /nfs/dbraw/zinc/37/16/00/979371600.db2.gz LREWMKUHWISFNU-GHMZBOCLSA-N 0 1 213.321 2.360 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccco1)C1CCC1 ZINC001603199275 979401119 /nfs/dbraw/zinc/40/11/19/979401119.db2.gz XMRJMHQIMCYOBJ-VIFPVBQESA-N 0 1 223.272 2.107 20 0 BEADMN CCC=CNC(=O)Cc1[nH]nc2ccccc21 ZINC001182063162 979435392 /nfs/dbraw/zinc/43/53/92/979435392.db2.gz SQKVQYAVDFTOCV-FPYGCLRLSA-N 0 1 229.283 2.145 20 0 BEADMN CCC(CC)[N@@H+](CC)CC1(C(=O)[O-])CC1 ZINC001595114409 979463846 /nfs/dbraw/zinc/46/38/46/979463846.db2.gz KVSVAAUSQOHEMR-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)=O)cc1 ZINC001603501090 979463876 /nfs/dbraw/zinc/46/38/76/979463876.db2.gz SAHAJFTYRUQNPS-CYBMUJFWSA-N 0 1 249.310 2.184 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2cnccc2o1 ZINC001603498440 979464927 /nfs/dbraw/zinc/46/49/27/979464927.db2.gz FSTROOACYXIKFR-NSHDSACASA-N 0 1 248.282 2.123 20 0 BEADMN COCc1ccccc1NCc1cc(C)[nH]n1 ZINC001341603608 979488357 /nfs/dbraw/zinc/48/83/57/979488357.db2.gz AKNRKYNGPWJCBK-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN CCNc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001603778220 979519347 /nfs/dbraw/zinc/51/93/47/979519347.db2.gz IJENJIVLFQCORH-LBPRGKRZSA-N 0 1 248.326 2.025 20 0 BEADMN C[C@H]([C@H]1C[C@@H]1C(=O)[O-])n1c[nH+]c2c1CCCC2 ZINC001604050790 979564215 /nfs/dbraw/zinc/56/42/15/979564215.db2.gz SBRWBZSDKVIWIS-BBBLOLIVSA-N 0 1 234.299 2.044 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[C@@H](C)C2)n1 ZINC001341832220 979573030 /nfs/dbraw/zinc/57/30/30/979573030.db2.gz PLLSRPURCZXRAW-RKDXNWHRSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC001341832220 979573035 /nfs/dbraw/zinc/57/30/35/979573035.db2.gz PLLSRPURCZXRAW-RKDXNWHRSA-N 0 1 236.319 2.303 20 0 BEADMN Cc1ccc(F)c(-c2cc(C[NH3+])ccn2)c1[O-] ZINC001236394195 979580021 /nfs/dbraw/zinc/58/00/21/979580021.db2.gz UYGFTLDHVINPAD-UHFFFAOYSA-N 0 1 232.258 2.360 20 0 BEADMN C[N@@H+](CCCC(=O)c1ccccc1)CCC(=O)[O-] ZINC001604167640 979594913 /nfs/dbraw/zinc/59/49/13/979594913.db2.gz VMNSSUGNZAWVOK-UHFFFAOYSA-N 0 1 249.310 2.056 20 0 BEADMN Cc1cc(CN2CCc3ccccc32)n[nH]1 ZINC001342028828 979630652 /nfs/dbraw/zinc/63/06/52/979630652.db2.gz GMJZBQSZVSRXEZ-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1CCCC[C@H](C)C1 ZINC001182838447 979657313 /nfs/dbraw/zinc/65/73/13/979657313.db2.gz PZVQOHGYEJHVSC-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC001604466744 979658559 /nfs/dbraw/zinc/65/85/59/979658559.db2.gz AXPXVLJRPARVTP-JTQLQIEISA-N 0 1 249.310 2.250 20 0 BEADMN Cc1c(C(=O)NCCC2CC2)ccc2cncn21 ZINC001342105673 979664698 /nfs/dbraw/zinc/66/46/98/979664698.db2.gz KHRFRPWNSSAIFA-UHFFFAOYSA-N 0 1 243.310 2.173 20 0 BEADMN Cc1nc(C)c(CN2CCC[C@H]3C[C@H]32)o1 ZINC001236593937 979671634 /nfs/dbraw/zinc/67/16/34/979671634.db2.gz FAAAJWNEMIWUEM-WDEREUQCSA-N 0 1 206.289 2.276 20 0 BEADMN CC1(C)C[N@@H+]([C@@H](C(=O)[O-])c2cccnc2)C1(C)C ZINC001604545275 979673282 /nfs/dbraw/zinc/67/32/82/979673282.db2.gz XIMUHBDSPAMUBU-LLVKDONJSA-N 0 1 248.326 2.328 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])n2C)C1 ZINC001604615176 979685378 /nfs/dbraw/zinc/68/53/78/979685378.db2.gz GWKAXBXVXJTFLC-SNVBAGLBSA-N 0 1 248.326 2.121 20 0 BEADMN Oc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)ccc1F ZINC001236711840 979706855 /nfs/dbraw/zinc/70/68/55/979706855.db2.gz WUIGVCVUJNYBCO-RTCCRHLQSA-N 0 1 239.265 2.179 20 0 BEADMN [O-]c1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)ccc1F ZINC001236711840 979706867 /nfs/dbraw/zinc/70/68/67/979706867.db2.gz WUIGVCVUJNYBCO-RTCCRHLQSA-N 0 1 239.265 2.179 20 0 BEADMN [O-]c1cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)ccc1F ZINC001236711840 979706877 /nfs/dbraw/zinc/70/68/77/979706877.db2.gz WUIGVCVUJNYBCO-RTCCRHLQSA-N 0 1 239.265 2.179 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1C ZINC001604757469 979714772 /nfs/dbraw/zinc/71/47/72/979714772.db2.gz QRMQHKMWIWQYRT-SFYZADRCSA-N 0 1 240.328 2.072 20 0 BEADMN COC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001236777626 979724569 /nfs/dbraw/zinc/72/45/69/979724569.db2.gz YAOHLKISSAPSMO-TXEJJXNPSA-N 0 1 249.285 2.064 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC001604922668 979767793 /nfs/dbraw/zinc/76/77/93/979767793.db2.gz FGDNCRZIYNYYSG-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN CCCOC(=O)c1ccc2cncn2c1C ZINC001342483362 979811284 /nfs/dbraw/zinc/81/12/84/979811284.db2.gz OQTNCIRFABPQEW-UHFFFAOYSA-N 0 1 218.256 2.210 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc(C)n1 ZINC001605165928 979826274 /nfs/dbraw/zinc/82/62/74/979826274.db2.gz RVLLDBNACFZRGP-CQSZACIVSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1cc(CN[C@@H]2CCc3c2cccc3O)[nH]n1 ZINC000716459468 979831994 /nfs/dbraw/zinc/83/19/94/979831994.db2.gz XNSTWMDQTKMXQB-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN Cc1cc(CN[C@@H]2CCc3c2cccc3O)n[nH]1 ZINC000716459468 979831998 /nfs/dbraw/zinc/83/19/98/979831998.db2.gz XNSTWMDQTKMXQB-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN CCCCCC[C@](O)(C[N@@H+](C)CCC)C(=O)[O-] ZINC001605267004 979847167 /nfs/dbraw/zinc/84/71/67/979847167.db2.gz WLMLEFURRQOMHV-ZDUSSCGKSA-N 0 1 245.363 2.114 20 0 BEADMN C[C@H]1CCN(Cc2cccc(N)c2)CCC1=O ZINC001237216539 979850013 /nfs/dbraw/zinc/85/00/13/979850013.db2.gz DACMPVNHPNQYRO-NSHDSACASA-N 0 1 232.327 2.070 20 0 BEADMN Nc1cccc(CN2CCc3occc3C2)c1 ZINC001237220645 979852791 /nfs/dbraw/zinc/85/27/91/979852791.db2.gz VIBIRGPPJZSIHD-UHFFFAOYSA-N 0 1 228.295 2.420 20 0 BEADMN Nc1cccc(CN2CCc3ccncc3C2)c1 ZINC001237221978 979852892 /nfs/dbraw/zinc/85/28/92/979852892.db2.gz RYOGDFKYMBUICJ-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN Cc1ccnc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001605359617 979859668 /nfs/dbraw/zinc/85/96/68/979859668.db2.gz IZRMFEYVPKCPJH-NWDGAFQWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1[nH+]ccn1CCCCS[C@@H](C)C(=O)[O-] ZINC001605424385 979868961 /nfs/dbraw/zinc/86/89/61/979868961.db2.gz OHVWGFFLACJSLY-VIFPVBQESA-N 0 1 242.344 2.178 20 0 BEADMN Cc1cc(Cl)cc(C)c1CN1CC(CO)C1 ZINC001237355852 979873210 /nfs/dbraw/zinc/87/32/10/979873210.db2.gz STODRQZUPDYQQH-UHFFFAOYSA-N 0 1 239.746 2.381 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)C1CC1 ZINC001605454741 979877515 /nfs/dbraw/zinc/87/75/15/979877515.db2.gz UTQDDUORXOKGAM-UHFFFAOYSA-N 0 1 222.288 2.006 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C2CC2)C[C@@H]1C ZINC001183745033 979882986 /nfs/dbraw/zinc/88/29/86/979882986.db2.gz IUQVSMAGLFGEQL-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN COc1ccc2c(c1)n[nH]c2CN1CC[C@@H](F)C1 ZINC001237385933 979883421 /nfs/dbraw/zinc/88/34/21/979883421.db2.gz OYCLRPKBFQGPTD-SECBINFHSA-N 0 1 249.289 2.115 20 0 BEADMN COc1c(C)cccc1CN1CC[C@@]12CCOC2 ZINC001237505616 979922213 /nfs/dbraw/zinc/92/22/13/979922213.db2.gz JNZQLMCSRHOEJF-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN CCCCC[C@H](C)N[C@H](CO)c1ncc[nH]1 ZINC001183991529 979925078 /nfs/dbraw/zinc/92/50/78/979925078.db2.gz KGECBZZZWKIRQJ-WDEREUQCSA-N 0 1 225.336 2.002 20 0 BEADMN CCc1oc(C[N@@H+](C)CCCF)cc1C(=O)[O-] ZINC001605889556 979926504 /nfs/dbraw/zinc/92/65/04/979926504.db2.gz SAWALWVTKGPNKE-UHFFFAOYSA-N 0 1 243.278 2.332 20 0 BEADMN CN1CCN(c2cc(CC3CCC3)ccn2)CC1 ZINC001250141718 979953505 /nfs/dbraw/zinc/95/35/05/979953505.db2.gz USMDRSXGRKJLEC-UHFFFAOYSA-N 0 1 245.370 2.176 20 0 BEADMN C[N@@H+](CC1CC2(CCC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606099262 979954871 /nfs/dbraw/zinc/95/48/71/979954871.db2.gz ATZBVXTWYVZHEC-TXEJJXNPSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@@H]1c2ccccc2CCN1Cc1nnc[nH]1 ZINC001237600749 979955207 /nfs/dbraw/zinc/95/52/07/979955207.db2.gz DQMUWJSVTAXFAU-CYBMUJFWSA-N 0 1 242.326 2.314 20 0 BEADMN Cc1cccc([C@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237600930 979956847 /nfs/dbraw/zinc/95/68/47/979956847.db2.gz CUGDFNJEIBOBFI-CYBMUJFWSA-N 0 1 242.326 2.450 20 0 BEADMN c1nnc(CN2CCC[C@@H]2c2ccccc2)[nH]1 ZINC001237601893 979960958 /nfs/dbraw/zinc/96/09/58/979960958.db2.gz MUZXPWGMZYKUIL-GFCCVEGCSA-N 0 1 228.299 2.142 20 0 BEADMN C[N@@H+](Cc1cccc2c1CCC2)C(C)(C)C(=O)[O-] ZINC001606167395 979971351 /nfs/dbraw/zinc/97/13/51/979971351.db2.gz ZWAMHJCXNIJHTH-UHFFFAOYSA-N 0 1 247.338 2.470 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001606229642 979976210 /nfs/dbraw/zinc/97/62/10/979976210.db2.gz YDKFLRFYFMBGAH-MJBXVCDLSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1ccnc2cccc(CN(C)C3COC3)c12 ZINC001237628406 979976987 /nfs/dbraw/zinc/97/69/87/979976987.db2.gz BHMAQAQDLKXOLX-UHFFFAOYSA-N 0 1 242.322 2.374 20 0 BEADMN Cc1coc(CN2CC[C@@H](c3cccnc3)C2)n1 ZINC001237645216 979993623 /nfs/dbraw/zinc/99/36/23/979993623.db2.gz JUTUEQWZCBYXDL-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN F[C@@H]1CN(Cc2cccc3c2OCC3)C[C@@H]2C[C@@H]21 ZINC001237745636 980044888 /nfs/dbraw/zinc/04/48/88/980044888.db2.gz JUJDCVOESNOXIE-MELADBBJSA-N 0 1 247.313 2.411 20 0 BEADMN Cc1cnc(CN2CC3CCC(CC3)C2)nc1 ZINC001237807682 980054383 /nfs/dbraw/zinc/05/43/83/980054383.db2.gz OCHFXMLBGIAMLU-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1nccc(NCC[C@@H](O)C2CC2)c1Cl ZINC001343306973 980064135 /nfs/dbraw/zinc/06/41/35/980064135.db2.gz STRPDHCSNMGPBX-LLVKDONJSA-N 0 1 240.734 2.038 20 0 BEADMN COc1nonc1Nc1ccc(Cl)nc1C ZINC001250150741 980081902 /nfs/dbraw/zinc/08/19/02/980081902.db2.gz RDSSAPLXFSPXMX-UHFFFAOYSA-N 0 1 240.650 2.179 20 0 BEADMN O=c1cc[nH]cc1CN1CC[C@H]1c1ccccc1 ZINC001237849992 980094844 /nfs/dbraw/zinc/09/48/44/980094844.db2.gz WTVUXWVAQPOUNX-AWEZNQCLSA-N 0 1 240.306 2.322 20 0 BEADMN CCN(Cc1cccs1)Cc1c[nH]ccc1=O ZINC001237848660 980095262 /nfs/dbraw/zinc/09/52/62/980095262.db2.gz PIMVDBGXCLVZMB-UHFFFAOYSA-N 0 1 248.351 2.459 20 0 BEADMN COc1cccc2c1C[N@H+](C/C(C)=C\C(=O)[O-])C2 ZINC001607332805 980096357 /nfs/dbraw/zinc/09/63/57/980096357.db2.gz WQIQBZAXYPTBQV-POHAHGRESA-N 0 1 247.294 2.042 20 0 BEADMN COc1cccc2c1C[N@@H+](C/C(C)=C\C(=O)[O-])C2 ZINC001607332805 980096369 /nfs/dbraw/zinc/09/63/69/980096369.db2.gz WQIQBZAXYPTBQV-POHAHGRESA-N 0 1 247.294 2.042 20 0 BEADMN COCCN(Cc1occc1OC)C(C)C ZINC001237872635 980107588 /nfs/dbraw/zinc/10/75/88/980107588.db2.gz XHPOWYZWOMQJDE-UHFFFAOYSA-N 0 1 227.304 2.145 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCC(=O)c1ccccc1 ZINC001607451493 980107784 /nfs/dbraw/zinc/10/77/84/980107784.db2.gz LVOQKCDBYMAJRK-LLVKDONJSA-N 0 1 249.310 2.054 20 0 BEADMN CC(=O)c1ccc(F)c(CCN(C)C)c1F ZINC001250159521 980115323 /nfs/dbraw/zinc/11/53/23/980115323.db2.gz CTMJWVDGTCHSKO-UHFFFAOYSA-N 0 1 227.254 2.272 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001607881465 980132520 /nfs/dbraw/zinc/13/25/20/980132520.db2.gz XRDJZHRFCHKJDP-HIFRSBDPSA-N 0 1 245.322 2.434 20 0 BEADMN Cc1ccccc1CC[N@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC001607880157 980134267 /nfs/dbraw/zinc/13/42/67/980134267.db2.gz CQZZXULPNUOLDN-AWEZNQCLSA-N 0 1 247.338 2.333 20 0 BEADMN CCOc1cc(C)ccc1CN1CCC(O)CC1 ZINC001250171560 980142340 /nfs/dbraw/zinc/14/23/40/980142340.db2.gz PPJFOXLOAYSBJC-UHFFFAOYSA-N 0 1 249.354 2.350 20 0 BEADMN Cc1occc1CNc1cc(C(=O)[O-])cc[nH+]1 ZINC001608056156 980154721 /nfs/dbraw/zinc/15/47/21/980154721.db2.gz HWZTZFQMGUUSNP-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN C[C@H]1CCCCN(Cc2c(N)ccnc2F)C1 ZINC001238149047 980171049 /nfs/dbraw/zinc/17/10/49/980171049.db2.gz FYNBNXFWIGRLLQ-JTQLQIEISA-N 0 1 237.322 2.425 20 0 BEADMN Nc1ccnc(F)c1CN1CCCCCC1 ZINC001238153949 980175814 /nfs/dbraw/zinc/17/58/14/980175814.db2.gz RCMNFHUSDGYONA-UHFFFAOYSA-N 0 1 223.295 2.179 20 0 BEADMN CC1(CC(=O)Nc2cccnc2CN)CCC1 ZINC001185108692 980176900 /nfs/dbraw/zinc/17/69/00/980176900.db2.gz CWNUYTUGLRJCSI-UHFFFAOYSA-N 0 1 233.315 2.059 20 0 BEADMN C[N@H+]1CCC[C@](C)(NC(=O)CC2(C)CCC2)C1 ZINC001185109462 980177624 /nfs/dbraw/zinc/17/76/24/980177624.db2.gz QVDHFUNZWVBOCU-AWEZNQCLSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](C)N(C)Cc1c(N)ccnc1F ZINC001238155299 980183371 /nfs/dbraw/zinc/18/33/71/980183371.db2.gz NLJDIWJVKBIRIG-MRVPVSSYSA-N 0 1 211.284 2.033 20 0 BEADMN CCC(CC)N(C)Cc1c(N)ccnc1F ZINC001238161514 980187458 /nfs/dbraw/zinc/18/74/58/980187458.db2.gz ITKJLITUZYDXIC-UHFFFAOYSA-N 0 1 225.311 2.423 20 0 BEADMN Cc1ncncc1CN1CCC[C@@H](C(F)F)C1 ZINC001238171473 980202931 /nfs/dbraw/zinc/20/29/31/980202931.db2.gz WRIPWDQMLNZHKK-SNVBAGLBSA-N 0 1 241.285 2.262 20 0 BEADMN Cc1ncncc1CN1CCC(C(F)F)CC1 ZINC001238176044 980207500 /nfs/dbraw/zinc/20/75/00/980207500.db2.gz RXXNDUGROQCYKF-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN CN(Cc1cncc(C2CC2)c1)[C@H]1CCOC1 ZINC001238186350 980212112 /nfs/dbraw/zinc/21/21/12/980212112.db2.gz ACKWIHJSXUOGIQ-AWEZNQCLSA-N 0 1 232.327 2.180 20 0 BEADMN CCN1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238187740 980216783 /nfs/dbraw/zinc/21/67/83/980216783.db2.gz OCEMMTXYPGKUCP-UHFFFAOYSA-N 0 1 245.370 2.097 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cncc(C3CC3)c2)C1 ZINC001238191960 980217667 /nfs/dbraw/zinc/21/76/67/980217667.db2.gz AQHDZRAVUIEKKO-NSHDSACASA-N 0 1 246.354 2.426 20 0 BEADMN c1ncc(C2CC2)cc1CN1CC(C2COC2)C1 ZINC001238188272 980218185 /nfs/dbraw/zinc/21/81/85/980218185.db2.gz SRARJDGLEWTOGL-UHFFFAOYSA-N 0 1 244.338 2.037 20 0 BEADMN Cc1cc(CNc2ccc(C(C)(C)C)nn2)n[nH]1 ZINC001343722908 980219976 /nfs/dbraw/zinc/21/99/76/980219976.db2.gz RSVYSTSCLHBTLV-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN O=C([O-])C1(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)CC1 ZINC001608569606 980235138 /nfs/dbraw/zinc/23/51/38/980235138.db2.gz IRIRKZMQXQZNSQ-STQMWFEESA-N 0 1 249.354 2.362 20 0 BEADMN CC[C@H](C)CCC(=O)Nc1n[nH]c2nccnc12 ZINC001185562137 980245433 /nfs/dbraw/zinc/24/54/33/980245433.db2.gz GZWWOYCYIQJQPZ-QMMMGPOBSA-N 0 1 247.302 2.118 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001608633889 980251264 /nfs/dbraw/zinc/25/12/64/980251264.db2.gz JXGROFRWCGDIMM-FXMSTWTQSA-N 0 1 249.285 2.245 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001608633890 980251440 /nfs/dbraw/zinc/25/14/40/980251440.db2.gz JXGROFRWCGDIMM-KMOQFTEPSA-N 0 1 249.285 2.245 20 0 BEADMN CC(=O)C1CCN(Cc2ncc(C)cc2C)CC1 ZINC001238429738 980258033 /nfs/dbraw/zinc/25/80/33/980258033.db2.gz FHJBMABWZQAMDX-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN CC(C)Oc1cncc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001238460666 980272903 /nfs/dbraw/zinc/27/29/03/980272903.db2.gz XURPTVWKTOKRLX-BETUJISGSA-N 0 1 232.327 2.321 20 0 BEADMN CN1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238504593 980282514 /nfs/dbraw/zinc/28/25/14/980282514.db2.gz WCVBPLHWAMENDJ-UHFFFAOYSA-N 0 1 248.345 2.451 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)cnc1C1CC1 ZINC001238616098 980300409 /nfs/dbraw/zinc/30/04/09/980300409.db2.gz LHQHMHYMZUEZPD-UHFFFAOYSA-N 0 1 245.370 2.015 20 0 BEADMN COc1cc(C)c(C)cc1CN1CCN(C)CC1 ZINC001238760933 980319039 /nfs/dbraw/zinc/31/90/39/980319039.db2.gz YRSYRTNMORASAS-UHFFFAOYSA-N 0 1 248.370 2.059 20 0 BEADMN CCN(Cc1nn(CC)nc1C)C(C)(C)C ZINC001344096743 980346576 /nfs/dbraw/zinc/34/65/76/980346576.db2.gz WBEBHNMVMFCPOI-UHFFFAOYSA-N 0 1 224.352 2.227 20 0 BEADMN CSCC(C)(C)COC(=O)c1[nH]cnc1C ZINC001344152161 980354933 /nfs/dbraw/zinc/35/49/33/980354933.db2.gz QAZUPSIGXCMOJN-UHFFFAOYSA-N 0 1 242.344 2.264 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC001344161081 980356337 /nfs/dbraw/zinc/35/63/37/980356337.db2.gz TYJMFGVYYFAACM-ZJUUUORDSA-N 0 1 249.314 2.328 20 0 BEADMN CCCC(=O)NC[C@@H](C)N(CC)C/C=C/Cl ZINC001151566065 980405874 /nfs/dbraw/zinc/40/58/74/980405874.db2.gz PZWMDROBPJFAID-LXSSAFMLSA-N 0 1 246.782 2.366 20 0 BEADMN OCCc1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001239025568 980414684 /nfs/dbraw/zinc/41/46/84/980414684.db2.gz VHWZKWISTUCCBG-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN CC(C)(O)/C=C/c1cccn2cncc12 ZINC001239159564 980475236 /nfs/dbraw/zinc/47/52/36/980475236.db2.gz JWPBFKUNEWJXBI-AATRIKPKSA-N 0 1 202.257 2.118 20 0 BEADMN CN1CCN(c2ccc(-c3cnoc3)cc2)CC1 ZINC001239186059 980490809 /nfs/dbraw/zinc/49/08/09/980490809.db2.gz HNHBECMIPFXKBM-UHFFFAOYSA-N 0 1 243.310 2.093 20 0 BEADMN COC(=O)c1cc2[nH]cnc2c(-c2cnoc2)c1 ZINC001239186284 980491307 /nfs/dbraw/zinc/49/13/07/980491307.db2.gz NZINHRFQGMYUFI-UHFFFAOYSA-N 0 1 243.222 2.005 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H](C)C1CCC1 ZINC001344953715 980508229 /nfs/dbraw/zinc/50/82/29/980508229.db2.gz VCQYOIXMJPFXAD-MRVPVSSYSA-N 0 1 222.288 2.311 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccoc1)N(C)C ZINC001345015999 980522408 /nfs/dbraw/zinc/52/24/08/980522408.db2.gz XRQKFVCAHGDFJW-PWSUYJOCSA-N 0 1 239.315 2.470 20 0 BEADMN Cc1nnc(CCOc2cc(C)nc(C)c2)o1 ZINC001345052701 980535327 /nfs/dbraw/zinc/53/53/27/980535327.db2.gz CWRDBWPTFOYPTL-UHFFFAOYSA-N 0 1 233.271 2.011 20 0 BEADMN CCCCCCOC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239334135 980541429 /nfs/dbraw/zinc/54/14/29/980541429.db2.gz CHYDOLPUXHLKGW-TXEJJXNPSA-N 0 1 242.363 2.386 20 0 BEADMN CC(C)CCOC(=O)N1CCNC[C@H]1C(C)C ZINC001239333362 980542295 /nfs/dbraw/zinc/54/22/95/980542295.db2.gz YHPAFFRKOKLCKZ-LBPRGKRZSA-N 0 1 242.363 2.099 20 0 BEADMN Cc1cc(CNc2cnc(C(C)C)nc2)n[nH]1 ZINC001345097183 980547348 /nfs/dbraw/zinc/54/73/48/980547348.db2.gz IHVHTKBRLGZATL-UHFFFAOYSA-N 0 1 231.303 2.244 20 0 BEADMN CNc1ccc(-c2nccc3[nH]cnc32)c(F)n1 ZINC001239398789 980557670 /nfs/dbraw/zinc/55/76/70/980557670.db2.gz LWUDNVRLKJLMSB-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN O=C(CC1CC1)OCc1nc[nH]c1C(F)(F)F ZINC001345239036 980589541 /nfs/dbraw/zinc/58/95/41/980589541.db2.gz IEHXFUIMHDHAKO-UHFFFAOYSA-N 0 1 248.204 2.272 20 0 BEADMN CCC=CNC(=O)c1ncc(C(F)(F)F)[nH]1 ZINC001188296245 980629547 /nfs/dbraw/zinc/62/95/47/980629547.db2.gz UOKIEUDFRMPAKC-ONEGZZNKSA-N 0 1 233.193 2.082 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1ncc(C(F)(F)F)[nH]1 ZINC001188277603 980632199 /nfs/dbraw/zinc/63/21/99/980632199.db2.gz HQHXXQYOCBXRIB-LURJTMIESA-N 0 1 249.236 2.203 20 0 BEADMN COc1ccc(C2=CCOC2)cc1CN(C)C ZINC001239490148 980648224 /nfs/dbraw/zinc/64/82/24/980648224.db2.gz LAHXCCKEYOJLTR-UHFFFAOYSA-N 0 1 233.311 2.170 20 0 BEADMN Cc1cc(C)c(NC(=O)c2ccncc2O)cn1 ZINC001188628821 980683781 /nfs/dbraw/zinc/68/37/81/980683781.db2.gz OEDMHABBTFKUMR-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CCCC(=O)N1CC[C@@H](N(C)C/C=C/Cl)C1 ZINC001188641464 980688313 /nfs/dbraw/zinc/68/83/13/980688313.db2.gz GUTWRJZAHGAQIE-TZOMUSMUSA-N 0 1 244.766 2.072 20 0 BEADMN Cc1cc(C)cc(-c2cnc(CN)nc2)c1 ZINC001239525029 980698268 /nfs/dbraw/zinc/69/82/68/980698268.db2.gz AVMKOAWWBYWZMZ-UHFFFAOYSA-N 0 1 213.284 2.219 20 0 BEADMN COCCCc1cnc(N(C)C)cc1C ZINC001250303184 980715566 /nfs/dbraw/zinc/71/55/66/980715566.db2.gz KFQXKIBHYHSMTP-UHFFFAOYSA-N 0 1 208.305 2.035 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001346165454 980773495 /nfs/dbraw/zinc/77/34/95/980773495.db2.gz IFWCFLNQBQZIDK-CYBMUJFWSA-N 0 1 248.326 2.126 20 0 BEADMN C(=C/c1ncnc2c1CCNC2)\c1ccccc1 ZINC001239590569 980784967 /nfs/dbraw/zinc/78/49/67/980784967.db2.gz GZCDVKUATIICRR-VOTSOKGWSA-N 0 1 237.306 2.293 20 0 BEADMN Fc1ccc(-c2cc3c(nn2)CNC3)c(F)c1 ZINC001239675269 980835938 /nfs/dbraw/zinc/83/59/38/980835938.db2.gz DQRJIBYYFPZSKD-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Fc1ccc(-c2ncc3c(n2)CNC3)c(F)c1 ZINC001239675817 980836037 /nfs/dbraw/zinc/83/60/37/980836037.db2.gz NGUSDTCXNAOYIY-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Cc1cc(Cc2ccc3nc[nH]c3c2)on1 ZINC001250364758 980864259 /nfs/dbraw/zinc/86/42/59/980864259.db2.gz UCXUALARKYAWNV-UHFFFAOYSA-N 0 1 213.240 2.450 20 0 BEADMN O=C(Cc1ccc(Cl)c(O)c1F)NC1CC1 ZINC001250381859 980877026 /nfs/dbraw/zinc/87/70/26/980877026.db2.gz LCDNKTLTBOBHLR-UHFFFAOYSA-N 0 1 243.665 2.006 20 0 BEADMN CC[C@@H](F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC001346762992 980903409 /nfs/dbraw/zinc/90/34/09/980903409.db2.gz JPAIGLMLDUQSLF-MRVPVSSYSA-N 0 1 221.235 2.250 20 0 BEADMN COc1ccc(-c2ncc3c(n2)CNC3)c(C)c1 ZINC001239822405 980968884 /nfs/dbraw/zinc/96/88/84/980968884.db2.gz NZDZIUAWMHUAAK-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN Clc1ccc2c(c1)CN(CCc1c[nH]nn1)C2 ZINC001347119054 980976878 /nfs/dbraw/zinc/97/68/78/980976878.db2.gz ATDDBXSYSQGNRW-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCOC(=O)C1CN(Cc2ccc(C)cc2C)C1 ZINC001203736518 981001896 /nfs/dbraw/zinc/00/18/96/981001896.db2.gz SFEWMYVBXMFOMR-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN NC(=O)c1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001239868293 981011375 /nfs/dbraw/zinc/01/13/75/981011375.db2.gz OLALOCDZJVFIQY-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN Cc1[nH]nc(CNC(=O)CCC2(C)CC2)c1C ZINC001347274875 981028232 /nfs/dbraw/zinc/02/82/32/981028232.db2.gz BMJIBAXDTUMFMZ-UHFFFAOYSA-N 0 1 235.331 2.223 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1n[nH]c(C)c1C ZINC001347275677 981031009 /nfs/dbraw/zinc/03/10/09/981031009.db2.gz VYRHIILRFPDKFB-CLFYSBASSA-N 0 1 235.331 2.389 20 0 BEADMN COc1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001239927311 981036528 /nfs/dbraw/zinc/03/65/28/981036528.db2.gz PVPKKIJPPVKXFU-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cncc(-c2cccc3[nH]nnc32)c1 ZINC001239929187 981038373 /nfs/dbraw/zinc/03/83/73/981038373.db2.gz JJAPTRMDOPETHY-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cncc(-c2cc3[nH]nnc3cc2F)c1 ZINC001239929805 981040471 /nfs/dbraw/zinc/04/04/71/981040471.db2.gz TYZDXRMWGYDCIB-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1cc2ccccc2o1 ZINC001191465222 981051213 /nfs/dbraw/zinc/05/12/13/981051213.db2.gz YODNNAKJNPJTMC-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN Cc1cc(-c2nc3ccc(F)cc3[nH]2)n[nH]1 ZINC000716662731 981054567 /nfs/dbraw/zinc/05/45/67/981054567.db2.gz OYJKZIZJMQUOBE-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1ccc(F)c(-c2ncnc3c2CNC3)c1 ZINC001239963868 981065800 /nfs/dbraw/zinc/06/58/00/981065800.db2.gz VMXNYRXHGXSONA-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)o1 ZINC001203289916 981089383 /nfs/dbraw/zinc/08/93/83/981089383.db2.gz CLLOXVVQGMIBOW-YPMHNXCESA-N 0 1 221.300 2.199 20 0 BEADMN CC(C)=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001347493072 981099806 /nfs/dbraw/zinc/09/98/06/981099806.db2.gz XOGQZZANYRGACD-UHFFFAOYSA-N 0 1 230.271 2.171 20 0 BEADMN CCCC[C@H](C)OC(=O)c1[nH]cnc1C ZINC001347545373 981115220 /nfs/dbraw/zinc/11/52/20/981115220.db2.gz HOAALAMVRFEMMR-QMMMGPOBSA-N 0 1 210.277 2.454 20 0 BEADMN Cc1n[nH]c(C)c1-c1cccn2cncc12 ZINC001240129039 981129081 /nfs/dbraw/zinc/12/90/81/981129081.db2.gz VTGKDKFVCIOLRI-UHFFFAOYSA-N 0 1 212.256 2.341 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001595459533 981139304 /nfs/dbraw/zinc/13/93/04/981139304.db2.gz ZTEILQXPNQRFEJ-JTQLQIEISA-N 0 1 236.315 2.098 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1C ZINC001595464580 981151029 /nfs/dbraw/zinc/15/10/29/981151029.db2.gz QZNQIINHDIRGJK-ZYHUDNBSSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001595467881 981156459 /nfs/dbraw/zinc/15/64/59/981156459.db2.gz IHLZMNZNADVSDB-LBPRGKRZSA-N 0 1 249.310 2.134 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001595468063 981158674 /nfs/dbraw/zinc/15/86/74/981158674.db2.gz MGLSMWCJTDSLLS-VIFPVBQESA-N 0 1 225.313 2.431 20 0 BEADMN C[C@@H]1[C@H](C)[N@H+](Cc2cccn2C2CC2)CCN1C ZINC001347782923 981172549 /nfs/dbraw/zinc/17/25/49/981172549.db2.gz VYNUYYUMIBTLFN-OLZOCXBDSA-N 0 1 247.386 2.347 20 0 BEADMN Cc1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001240224355 981181626 /nfs/dbraw/zinc/18/16/26/981181626.db2.gz OYFTTWBUIJMLFS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cncc(CN2CC[C@@]3(CC3(F)F)C2)n1 ZINC001203173309 981184980 /nfs/dbraw/zinc/18/49/80/981184980.db2.gz GIPZDXBLNGQAGE-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cccc2nc(N[C@@H](C)c3nnc[nH]3)oc21 ZINC001347828766 981186577 /nfs/dbraw/zinc/18/65/77/981186577.db2.gz ZFFRJVHORIDWCC-QMMMGPOBSA-N 0 1 243.270 2.427 20 0 BEADMN CCN(CC)C(=O)c1c(O)ccc(F)c1F ZINC001192718308 981187310 /nfs/dbraw/zinc/18/73/10/981187310.db2.gz WFWWMOLDXGSFMY-UHFFFAOYSA-N 0 1 229.226 2.152 20 0 BEADMN Fc1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001240233019 981187818 /nfs/dbraw/zinc/18/78/18/981187818.db2.gz KNRKANZGNCTVRK-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CN(C)c1ccnc(-c2cncc(F)c2)c1 ZINC001240233369 981188330 /nfs/dbraw/zinc/18/83/30/981188330.db2.gz LGKWACWCGAYKGF-UHFFFAOYSA-N 0 1 217.247 2.349 20 0 BEADMN COc1cc(-c2cc3[nH]cnc3cn2)ccn1 ZINC001240254533 981225761 /nfs/dbraw/zinc/22/57/61/981225761.db2.gz UUUPTDHZYKVXDS-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1cc2[nH]ccc2c(-c2cnn(C)c2)n1 ZINC001240293691 981241592 /nfs/dbraw/zinc/24/15/92/981241592.db2.gz HPCVLHMYCNQUOX-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1cc(-c2cnn(C)c2)cc2nc[nH]c21 ZINC001240295536 981246477 /nfs/dbraw/zinc/24/64/77/981246477.db2.gz DHKRHFFTUHMSOT-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@@H]1CCO ZINC001348062403 981269419 /nfs/dbraw/zinc/26/94/19/981269419.db2.gz RKCYDNSALSYIDM-LLVKDONJSA-N 0 1 238.331 2.145 20 0 BEADMN C[C@@H](O)[C@@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001193345460 981294749 /nfs/dbraw/zinc/29/47/49/981294749.db2.gz CFYZLWNBQNNQEW-NXEZZACHSA-N 0 1 239.746 2.467 20 0 BEADMN CCOc1ccc2nc(-c3cn(C)cn3)[nH]c2c1 ZINC001250511138 981302131 /nfs/dbraw/zinc/30/21/31/981302131.db2.gz GAPYBFGOKALOKL-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN Cc1cc(-c2ncc3c(n2)CNC3)c(C)s1 ZINC001240427826 981355978 /nfs/dbraw/zinc/35/59/78/981355978.db2.gz WXLCYOWTBLHFCD-UHFFFAOYSA-N 0 1 231.324 2.425 20 0 BEADMN CCCC1CCN(CN2CC[C@@H](C)C2=O)CC1 ZINC001348469450 981369399 /nfs/dbraw/zinc/36/93/99/981369399.db2.gz GGLLALDOAFCXFZ-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@H]1CCN(Cc2ncnn2C(C)C)[C@H]1C ZINC001193608366 981382110 /nfs/dbraw/zinc/38/21/10/981382110.db2.gz XQBWCWAGDJNNOW-NWDGAFQWSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H]1CCN(Cc2ncnn2C(C)C)[C@H]1C ZINC001193608368 981383603 /nfs/dbraw/zinc/38/36/03/981383603.db2.gz XQBWCWAGDJNNOW-RYUDHWBXSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H]1CCN(Cc2ncnn2C(C)C)[C@@H]1C ZINC001193608362 981383686 /nfs/dbraw/zinc/38/36/86/981383686.db2.gz XQBWCWAGDJNNOW-NEPJUHHUSA-N 0 1 236.363 2.479 20 0 BEADMN CCCCOC(=O)N1CCN(C2CCC2)CC1 ZINC001193669062 981403658 /nfs/dbraw/zinc/40/36/58/981403658.db2.gz HKCXPCVACIRACM-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN CCOc1ncccc1-c1cncc2nc[nH]c21 ZINC001240493099 981413514 /nfs/dbraw/zinc/41/35/14/981413514.db2.gz XXQUVFWEVJUGMQ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ncccc1-c1cncc2[nH]cnc21 ZINC001240493099 981413519 /nfs/dbraw/zinc/41/35/19/981413519.db2.gz XXQUVFWEVJUGMQ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ncccc1-c1nccc(N)c1C ZINC001240494878 981413707 /nfs/dbraw/zinc/41/37/07/981413707.db2.gz XLGDRRIPSMAJJT-UHFFFAOYSA-N 0 1 229.283 2.433 20 0 BEADMN COc1nc(-c2ccsc2C)nc2[nH]cnc21 ZINC001240499617 981422873 /nfs/dbraw/zinc/42/28/73/981422873.db2.gz RYCGAAQCHKYSMP-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN CCC[C@@](C)([NH2+]Cc1nc(C)oc1C)C(=O)[O-] ZINC001595560196 981446952 /nfs/dbraw/zinc/44/69/52/981446952.db2.gz YMMUDVPDPNONPO-GFCCVEGCSA-N 0 1 240.303 2.024 20 0 BEADMN Cc1n[nH]cc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001240518275 981448298 /nfs/dbraw/zinc/44/82/98/981448298.db2.gz BZCUDXDXBCQNDW-UHFFFAOYSA-N 0 1 249.324 2.074 20 0 BEADMN Nc1ccc(-c2nccc3[nH]cnc32)c(F)c1 ZINC001240523192 981458116 /nfs/dbraw/zinc/45/81/16/981458116.db2.gz FWYJNNNAHYUNKH-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(-c2[nH]ccc3ncnc2-3)c(F)c1 ZINC001240523192 981458117 /nfs/dbraw/zinc/45/81/17/981458117.db2.gz FWYJNNNAHYUNKH-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001595574020 981490547 /nfs/dbraw/zinc/49/05/47/981490547.db2.gz OJFPREKQUABYRI-NEPJUHHUSA-N 0 1 245.363 2.233 20 0 BEADMN COC(=O)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001193901782 981503226 /nfs/dbraw/zinc/50/32/26/981503226.db2.gz GALZFERULHDRGB-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H](C)C2CC2)c1C ZINC001349147891 981511349 /nfs/dbraw/zinc/51/13/49/981511349.db2.gz NFTIMYASYPDTHE-MRVPVSSYSA-N 0 1 235.331 2.079 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCC1CCC1 ZINC001349149517 981512628 /nfs/dbraw/zinc/51/26/28/981512628.db2.gz JMZROYUNCKTGIE-UHFFFAOYSA-N 0 1 222.288 2.455 20 0 BEADMN COCCn1cc(-c2ccc3[nH]cnc3c2)cn1 ZINC001240628412 981519695 /nfs/dbraw/zinc/51/96/95/981519695.db2.gz UYTCBXXDPLMKNI-UHFFFAOYSA-N 0 1 242.282 2.073 20 0 BEADMN CCn1nccc1-c1ccc(CN(C)C)cn1 ZINC001240689284 981594025 /nfs/dbraw/zinc/59/40/25/981594025.db2.gz LSDGQWIACRORMD-UHFFFAOYSA-N 0 1 230.315 2.027 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCO[C@](C)(CC)C1 ZINC001595628019 981779694 /nfs/dbraw/zinc/77/96/94/981779694.db2.gz GKGIVSQADOPWQL-WCQYABFASA-N 0 1 243.347 2.131 20 0 BEADMN Cc1nc(-c2ccc(O)c(F)c2)nc2nc[nH]c21 ZINC001240782569 981820529 /nfs/dbraw/zinc/82/05/29/981820529.db2.gz APFAFWLNKZOWAM-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN COC(=O)[C@@H](C)c1nc2c(cc(F)cc2C)[nH]1 ZINC001250576602 981823724 /nfs/dbraw/zinc/82/37/24/981823724.db2.gz VBEPFNMMZLSMAX-ZETCQYMHSA-N 0 1 236.246 2.287 20 0 BEADMN Oc1ccc(-c2cccc3[nH]nnc32)cc1F ZINC001240786587 981828397 /nfs/dbraw/zinc/82/83/97/981828397.db2.gz OYZMFLNDZTWRTR-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@H](C)CC2)n[nH]1 ZINC001583928940 981843495 /nfs/dbraw/zinc/84/34/95/981843495.db2.gz QUOCVUFFKZSDAF-NSHDSACASA-N 0 1 249.358 2.299 20 0 BEADMN Cc1cnc(SCc2nnc[nH]2)c(C)c1 ZINC001350125602 981879758 /nfs/dbraw/zinc/87/97/58/981879758.db2.gz JNASSYRIQCNWLW-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC[C@@H](C)COC(=O)N1CCN(CC)C[C@H]1C ZINC001194800279 981906737 /nfs/dbraw/zinc/90/67/37/981906737.db2.gz HKLQUFHXURAPNK-VXGBXAGGSA-N 0 1 242.363 2.195 20 0 BEADMN CC(C)Cn1cc(-c2nccc3[nH]cnc32)cn1 ZINC001240872624 981914251 /nfs/dbraw/zinc/91/42/51/981914251.db2.gz UMOXROUGCWTLTK-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN Cc1cnc(-c2cnn(CC(C)C)c2)cc1N ZINC001240876094 981923159 /nfs/dbraw/zinc/92/31/59/981923159.db2.gz JSXWQAXNFSFBJG-UHFFFAOYSA-N 0 1 230.315 2.492 20 0 BEADMN c1cnc2c(c1)cccc2-c1cc2c(nn1)CNC2 ZINC001240892335 981942455 /nfs/dbraw/zinc/94/24/55/981942455.db2.gz ITGQYJLEIGGVFC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN COCc1nc2ccc(N3CCCC3)cc2[nH]1 ZINC001250602769 981951571 /nfs/dbraw/zinc/95/15/71/981951571.db2.gz MRPSTOUZDMYAER-UHFFFAOYSA-N 0 1 231.299 2.310 20 0 BEADMN c1ncn2cccc(-c3cnn4cccnc34)c12 ZINC001240936353 982010164 /nfs/dbraw/zinc/01/01/64/982010164.db2.gz PKVYQZOYPJSDPA-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH]cnc32)C1 ZINC001586741377 982012966 /nfs/dbraw/zinc/01/29/66/982012966.db2.gz AFBAPDZBCBKBKI-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH]cnc32)C1 ZINC001586741387 982017820 /nfs/dbraw/zinc/01/78/20/982017820.db2.gz AFBAPDZBCBKBKI-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1c(F)cccc1NC(=O)Cc1cnc[nH]1 ZINC001586835880 982028389 /nfs/dbraw/zinc/02/83/89/982028389.db2.gz NEKKEGLCZYWIEI-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN O=C(NCCN1CC=CC1)[C@@H]1CCC=CCCC1 ZINC001350707043 982052572 /nfs/dbraw/zinc/05/25/72/982052572.db2.gz MAGIMPPJTSVUMS-CQSZACIVSA-N 0 1 248.370 2.111 20 0 BEADMN CC[C@@H](C)OC(=O)N1CCN(C2CCC2)CC1 ZINC001195077309 982055026 /nfs/dbraw/zinc/05/50/26/982055026.db2.gz RTDAOEIRRPCJJA-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN Cn1ccc(-c2cc3nc[nH]c3cc2F)cc1=O ZINC001240995892 982077234 /nfs/dbraw/zinc/07/72/34/982077234.db2.gz JHJDHHNXYDEJQL-UHFFFAOYSA-N 0 1 243.241 2.068 20 0 BEADMN CCN(C)c1ccnc(-c2ccccc2O)n1 ZINC001241001916 982087885 /nfs/dbraw/zinc/08/78/85/982087885.db2.gz MANMRTIKCIASRS-UHFFFAOYSA-N 0 1 229.283 2.305 20 0 BEADMN Oc1ccccc1-c1nccc(NC2CC2)n1 ZINC001241002168 982087989 /nfs/dbraw/zinc/08/79/89/982087989.db2.gz UIPAOQPZUDUKJX-UHFFFAOYSA-N 0 1 227.267 2.424 20 0 BEADMN CC[C@@H](C)OC(=O)N1CCN(C(C)C)[C@@H](C)C1 ZINC001195119151 982101726 /nfs/dbraw/zinc/10/17/26/982101726.db2.gz ZCVABAMHYLQGGI-NWDGAFQWSA-N 0 1 242.363 2.336 20 0 BEADMN CCOc1cc(-c2cnc(CN)nc2)ccc1F ZINC001241068960 982186315 /nfs/dbraw/zinc/18/63/15/982186315.db2.gz OKMNQNRBHPSVTH-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN C[C@H](C[NH+]1CCCC1)C(=O)c1ccc([O-])cc1 ZINC001351093115 982200466 /nfs/dbraw/zinc/20/04/66/982200466.db2.gz YQYKEFODUMCECG-LLVKDONJSA-N 0 1 233.311 2.307 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001594875549 982209428 /nfs/dbraw/zinc/20/94/28/982209428.db2.gz HHIDHMPJMMHEJR-LNFKQOIKSA-N 0 1 231.311 2.166 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC001594875561 982209970 /nfs/dbraw/zinc/20/99/70/982209970.db2.gz HHIDHMPJMMHEJR-UKKRHICBSA-N 0 1 231.311 2.166 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC001594876834 982215734 /nfs/dbraw/zinc/21/57/34/982215734.db2.gz NJYSPFYKKYBWJH-UHFZAUJKSA-N 0 1 227.348 2.462 20 0 BEADMN CO[C@H]1CCN([C@H](C)c2ccc(F)nc2)C1 ZINC001351134405 982215957 /nfs/dbraw/zinc/21/59/57/982215957.db2.gz XPUYNBWVCUFNCF-KOLCDFICSA-N 0 1 224.279 2.002 20 0 BEADMN O=c1[nH]cccc1-c1ccc2nc[nH]c2c1 ZINC001241113878 982226507 /nfs/dbraw/zinc/22/65/07/982226507.db2.gz SFSFXLXGWZUIFB-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC001594878879 982226560 /nfs/dbraw/zinc/22/65/60/982226560.db2.gz YQZLEOMTIVPICT-UWVGGRQHSA-N 0 1 215.337 2.464 20 0 BEADMN Oc1cc(F)c(-c2ncncc2F)c(F)c1 ZINC001241117392 982236348 /nfs/dbraw/zinc/23/63/48/982236348.db2.gz NFDCMYKYCTVFIH-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN O=c1[nH]cccc1-c1cccc2cncn21 ZINC001241118870 982238827 /nfs/dbraw/zinc/23/88/27/982238827.db2.gz HODFLUBLZMOJTE-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccc[nH]c1=O ZINC001241118824 982241747 /nfs/dbraw/zinc/24/17/47/982241747.db2.gz KOVMINQWBHPXMR-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Nc1cc[nH+]cc1-c1c(F)cc([O-])cc1F ZINC001241122787 982249199 /nfs/dbraw/zinc/24/91/99/982249199.db2.gz YYDRVIJANRGJDD-UHFFFAOYSA-N 0 1 222.194 2.145 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1ccc(N)nc1 ZINC001351273796 982258120 /nfs/dbraw/zinc/25/81/20/982258120.db2.gz OAATYRSYVBJRRG-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN OCc1ccc(F)c(-c2nccc3c2CCN3)c1 ZINC001241149396 982283003 /nfs/dbraw/zinc/28/30/03/982283003.db2.gz ZGFVSOXQMBYKFY-UHFFFAOYSA-N 0 1 244.269 2.348 20 0 BEADMN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ncccn1 ZINC001351321450 982284578 /nfs/dbraw/zinc/28/45/78/982284578.db2.gz XZOIHLBLAWXOHC-GHMZBOCLSA-N 0 1 249.358 2.473 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccnc(N)c1 ZINC001241171191 982321851 /nfs/dbraw/zinc/32/18/51/982321851.db2.gz XJXGNLCTAXZXAG-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1nnc(SCC2(Br)CC2)[nH]1 ZINC001351652426 982349641 /nfs/dbraw/zinc/34/96/41/982349641.db2.gz YVKRDEVKWRDHTR-UHFFFAOYSA-N 0 1 248.149 2.133 20 0 BEADMN CCS[C@@H](C)c1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 ZINC001351679940 982360539 /nfs/dbraw/zinc/36/05/39/982360539.db2.gz RIZPJVKOWUSSLP-XSPKLOCKSA-N 0 1 239.344 2.164 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCC=CO1 ZINC001588655779 982374283 /nfs/dbraw/zinc/37/42/83/982374283.db2.gz MQSALQCDOZFRPQ-NSHDSACASA-N 0 1 241.331 2.112 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C)cc1OC ZINC001203837003 982446884 /nfs/dbraw/zinc/44/68/84/982446884.db2.gz OCWCPYHFTJINME-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN CC(C)c1cnc(C2=CCN(C)CC2)nc1 ZINC001241308625 982449179 /nfs/dbraw/zinc/44/91/79/982449179.db2.gz LZPKRWOUXDPLQJ-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN Cc1cnc(C2=CCN(C)CC2)nc1NC(C)C ZINC001241309002 982449374 /nfs/dbraw/zinc/44/93/74/982449374.db2.gz WYZMUCYSGYDDSD-UHFFFAOYSA-N 0 1 246.358 2.324 20 0 BEADMN CN1CC=C(c2nccc(OC(C)(C)C)n2)CC1 ZINC001241308269 982452341 /nfs/dbraw/zinc/45/23/41/982452341.db2.gz IZIGMHUBIJDTBG-UHFFFAOYSA-N 0 1 247.342 2.373 20 0 BEADMN CC(=O)Nc1c(C)ccnc1C1=CCN(C)CC1 ZINC001241311302 982453791 /nfs/dbraw/zinc/45/37/91/982453791.db2.gz UDDACRHVVSLYGN-UHFFFAOYSA-N 0 1 245.326 2.067 20 0 BEADMN CN1CC=C(c2cnc(F)c(F)c2)CC1 ZINC001241320253 982479688 /nfs/dbraw/zinc/47/96/88/982479688.db2.gz YUUQJYNRKXAPDD-UHFFFAOYSA-N 0 1 210.227 2.079 20 0 BEADMN C[N@@H+]1CC=C(c2ccc3c(c2)CNC(=O)N3)CC1 ZINC001241321999 982482849 /nfs/dbraw/zinc/48/28/49/982482849.db2.gz GCBZNTHQOMUGGQ-UHFFFAOYSA-N 0 1 243.310 2.041 20 0 BEADMN COc1cc2nccn2cc1C1=CCN(C)CC1 ZINC001241330319 982492799 /nfs/dbraw/zinc/49/27/99/982492799.db2.gz PYMCIFAXVCZCDK-UHFFFAOYSA-N 0 1 243.310 2.062 20 0 BEADMN COC(=O)c1c(F)cccc1C1=CCN(C)CC1 ZINC001241330251 982492959 /nfs/dbraw/zinc/49/29/59/982492959.db2.gz MMOZOWZASYLTJE-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CN1CC=C(c2cc3[nH]cnc3cc2F)CC1 ZINC001241332996 982500359 /nfs/dbraw/zinc/50/03/59/982500359.db2.gz OMCIZNKYYMDVPF-UHFFFAOYSA-N 0 1 231.274 2.421 20 0 BEADMN CN1CC=C(c2cccnc2OC(F)F)CC1 ZINC001241333678 982501301 /nfs/dbraw/zinc/50/13/01/982501301.db2.gz WKUVYTJQWBGVEH-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CC[C@H](C)CN(CC)CC(=O)OC(C)C ZINC000080848251 982509626 /nfs/dbraw/zinc/50/96/26/982509626.db2.gz YNAQRJRJTYFINO-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cc(C)c(CN2CC[C@@]23CCOC3)c(C)n1 ZINC001352898917 982630203 /nfs/dbraw/zinc/63/02/03/982630203.db2.gz NZBRHLFGFWGRKO-HNNXBMFYSA-N 0 1 246.354 2.372 20 0 BEADMN Cc1cccc(CN2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001203888725 982637682 /nfs/dbraw/zinc/63/76/82/982637682.db2.gz YUGDZZDQHOYMMC-KBPBESRZSA-N 0 1 237.318 2.147 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1cncs1 ZINC001241498471 982656097 /nfs/dbraw/zinc/65/60/97/982656097.db2.gz MUFBHAFJLBVJMT-UHFFFAOYSA-N 0 1 220.232 2.221 20 0 BEADMN OCc1cccc(-c2cccn3cncc23)c1 ZINC001241511129 982669841 /nfs/dbraw/zinc/66/98/41/982669841.db2.gz PRPRMPUUFJRYKF-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN C[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)[O-] ZINC001589247592 982675237 /nfs/dbraw/zinc/67/52/37/982675237.db2.gz OZSJTIMIXNUZNZ-CQSZACIVSA-N 0 1 233.311 2.168 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594961223 982715107 /nfs/dbraw/zinc/71/51/07/982715107.db2.gz YWJYCYMNNBJHFV-MWLCHTKSSA-N 0 1 241.331 2.112 20 0 BEADMN Nc1nc2ccc(-c3ncccc3F)cc2[nH]1 ZINC001241542078 982731023 /nfs/dbraw/zinc/73/10/23/982731023.db2.gz VWXXFOHQVOVBRN-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCc1cccc(-c2cnc(CN)nc2)c1 ZINC001241547293 982757797 /nfs/dbraw/zinc/75/77/97/982757797.db2.gz WBKOIUWNOAEOIH-UHFFFAOYSA-N 0 1 213.284 2.165 20 0 BEADMN C=CS(=O)(=O)Nc1cc(C(C)(C)C)ns1 ZINC001198572984 982762454 /nfs/dbraw/zinc/76/24/54/982762454.db2.gz IHZPVEDHTYGFGC-UHFFFAOYSA-N 0 1 246.357 2.326 20 0 BEADMN CCOc1ncc(-c2cc(N(C)C)ccn2)cn1 ZINC001241550260 982763560 /nfs/dbraw/zinc/76/35/60/982763560.db2.gz XEGLBVDCLOPHPJ-UHFFFAOYSA-N 0 1 244.298 2.003 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])C[Si](C)(C)C ZINC001594979714 982771427 /nfs/dbraw/zinc/77/14/27/982771427.db2.gz ZRCGXVAVFKXZFJ-SECBINFHSA-N 0 1 217.385 2.049 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCCOC(C)(C)C ZINC001589441291 982792037 /nfs/dbraw/zinc/79/20/37/982792037.db2.gz NNPLAQXTWJIOHY-NSHDSACASA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC001589445491 982795196 /nfs/dbraw/zinc/79/51/96/982795196.db2.gz PYOLLORYZRCBLR-NWDGAFQWSA-N 0 1 248.326 2.328 20 0 BEADMN CN1CCC=C(c2cccc(OC(F)F)n2)C1 ZINC001241566481 982808971 /nfs/dbraw/zinc/80/89/71/982808971.db2.gz ZIANNSDOKIKTOV-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CN1CCC=C(c2nccc(C(F)F)n2)C1 ZINC001241566800 982812698 /nfs/dbraw/zinc/81/26/98/982812698.db2.gz DWAGLFXLDHWPLJ-UHFFFAOYSA-N 0 1 225.242 2.133 20 0 BEADMN CC(C)Cc1cc(C2=CCCN(C)C2)ncn1 ZINC001241568034 982813574 /nfs/dbraw/zinc/81/35/74/982813574.db2.gz LNRCRCATFWBKMC-UHFFFAOYSA-N 0 1 231.343 2.394 20 0 BEADMN CCCc1cc(C2=CCCN(C)C2)nc(C)n1 ZINC001241567255 982813773 /nfs/dbraw/zinc/81/37/73/982813773.db2.gz SMPMBUQXOQQITK-UHFFFAOYSA-N 0 1 231.343 2.456 20 0 BEADMN CN1CCC=C(c2cccc3c2OCO3)C1 ZINC001241569452 982816776 /nfs/dbraw/zinc/81/67/76/982816776.db2.gz ZZYMVUFPFWZDNK-UHFFFAOYSA-N 0 1 217.268 2.134 20 0 BEADMN Cc1cc(C2=CCCN(C)C2)cnc1F ZINC001241569442 982817429 /nfs/dbraw/zinc/81/74/29/982817429.db2.gz ZKTDERSVFXGELD-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN COc1cc2nccn2cc1C1=CCCN(C)C1 ZINC001241570272 982819054 /nfs/dbraw/zinc/81/90/54/982819054.db2.gz GFOUPSAEAIHODR-UHFFFAOYSA-N 0 1 243.310 2.062 20 0 BEADMN Cc1ncc(C2=CCCN(C)C2)cc1F ZINC001241570970 982824914 /nfs/dbraw/zinc/82/49/14/982824914.db2.gz RNHYQUHRZGKHAR-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1conc1CNC1([C@@H]2CCCO2)CCC1 ZINC001198719616 982828262 /nfs/dbraw/zinc/82/82/62/982828262.db2.gz PNAATXHGSSRMGA-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CCC[N@@H+](CC)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595867530 982837168 /nfs/dbraw/zinc/83/71/68/982837168.db2.gz QQAULRNWRMUVHG-UHFFFAOYSA-N 0 1 224.304 2.253 20 0 BEADMN Cn1ccnc1CN1CC=CC12CCCCC2 ZINC001198800958 982846744 /nfs/dbraw/zinc/84/67/44/982846744.db2.gz OIEJWTYDIZYKQZ-UHFFFAOYSA-N 0 1 231.343 2.495 20 0 BEADMN CCC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C(C)C ZINC001595870374 982852002 /nfs/dbraw/zinc/85/20/02/982852002.db2.gz ISKZLAUWGXCGBE-NSHDSACASA-N 0 1 241.331 2.254 20 0 BEADMN Cc1ncc(-c2cncc3cc[nH]c32)cn1 ZINC001205853649 982857596 /nfs/dbraw/zinc/85/75/96/982857596.db2.gz JMKUBMJSQWTMLI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC(C)[NH+](Cc1ccc(-c2nn[n-]n2)o1)C(C)C ZINC001589701560 982869045 /nfs/dbraw/zinc/86/90/45/982869045.db2.gz MOSVNLAZAWFRJC-UHFFFAOYSA-N 0 1 249.318 2.079 20 0 BEADMN CNc1ccnc(-c2ccc3c(c2)n[nH]c3C)n1 ZINC001241639041 982876585 /nfs/dbraw/zinc/87/65/85/982876585.db2.gz ZQXHTPYJTJUQGT-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN Cc1[nH]nc2cc(-c3cncn3C)ccc12 ZINC001241639859 982878666 /nfs/dbraw/zinc/87/86/66/982878666.db2.gz UWTYRYFWWNXMMY-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC[N@@H+](Cc1ccc(C(C)=O)cc1)[C@@H](C)C(=O)[O-] ZINC001589736503 982878985 /nfs/dbraw/zinc/87/89/85/982878985.db2.gz WCKHOPGDHBAUBL-JTQLQIEISA-N 0 1 249.310 2.184 20 0 BEADMN CCc1ncc(CN[C@@H](C)c2cccnc2)cn1 ZINC001199067657 982884743 /nfs/dbraw/zinc/88/47/43/982884743.db2.gz FSZTZNHEACBRQU-NSHDSACASA-N 0 1 242.326 2.285 20 0 BEADMN Cc1nc(N)ncc1-c1ccc2nc[nH]c2c1C ZINC001241645163 982884977 /nfs/dbraw/zinc/88/49/77/982884977.db2.gz ZQWXJQCIUKWHIM-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1cnccc1CN1CCc2ccncc2C1 ZINC001205857671 982893328 /nfs/dbraw/zinc/89/33/28/982893328.db2.gz LWOWSURBEYGLCB-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cc1ncoc1CN(C)CCc1nccs1 ZINC001353582768 982897059 /nfs/dbraw/zinc/89/70/59/982897059.db2.gz WUDFQXFVAIPNLA-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccc(F)nn3)cc12 ZINC001241666936 982899744 /nfs/dbraw/zinc/89/97/44/982899744.db2.gz PSCPRTNLSUJOLG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1nccnc1-c1ccc2n[nH]c(C)c2c1 ZINC001241665518 982900182 /nfs/dbraw/zinc/90/01/82/982900182.db2.gz DRTBNKXMWYAFIX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1n[nH]c(CN2CC3(C2)CCCC3)c1C ZINC001353592105 982901063 /nfs/dbraw/zinc/90/10/63/982901063.db2.gz AKDWSMJUHLYKIS-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN Cc1[nH]nc(CN2CC3(C2)CCCC3)c1C ZINC001353592105 982901074 /nfs/dbraw/zinc/90/10/74/982901074.db2.gz AKDWSMJUHLYKIS-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccc(=O)n(C)c3)cc12 ZINC001241668609 982910384 /nfs/dbraw/zinc/91/03/84/982910384.db2.gz OMAJIOUIXXDFIR-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1[nH]nc2ccc(-c3nnc(C)c(C)n3)cc21 ZINC001241669480 982911372 /nfs/dbraw/zinc/91/13/72/982911372.db2.gz RAKQWNUMOXUWSS-UHFFFAOYSA-N 0 1 239.282 2.340 20 0 BEADMN Cc1cnnc(-c2ccc3[nH]cnc3c2)c1 ZINC001241679943 982925084 /nfs/dbraw/zinc/92/50/84/982925084.db2.gz DBEJSOFXUWTQGU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cc2c(ncnc2-c2ccc3[nH]cnc3c2)[nH]1 ZINC001241679959 982926924 /nfs/dbraw/zinc/92/69/24/982926924.db2.gz DWTPRZDDPOYBTP-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN Cc1cncc(-c2ccc3[nH]cnc3c2)n1 ZINC001241686290 982933905 /nfs/dbraw/zinc/93/39/05/982933905.db2.gz ZCIAZAPCSLXOAA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1c(C)ncnc1-c1ccc2[nH]cnc2c1 ZINC001241692133 982946281 /nfs/dbraw/zinc/94/62/81/982946281.db2.gz YOOKRPRVKSHQFL-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN c1nc2c(-c3ccc4[nH]cnc4c3)cccn2n1 ZINC001241692064 982948627 /nfs/dbraw/zinc/94/86/27/982948627.db2.gz VLISMGNSADHCMV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1ncncc1-c1ccc2[nH]cnc2c1 ZINC001241696854 982952692 /nfs/dbraw/zinc/95/26/92/982952692.db2.gz OQSAYFDDBQMNHA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cn2cc(-c3ccc4nc[nH]c4c3)cnc2n1 ZINC001241697086 982952840 /nfs/dbraw/zinc/95/28/40/982952840.db2.gz QEPZFNGSEKJUDX-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc2ccc(-c3ccc4nncn4c3)cc2[nH]1 ZINC001241697110 982953764 /nfs/dbraw/zinc/95/37/64/982953764.db2.gz RDPKFJVQHBGUKF-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc(C2=CCCCC2)nc2c1CCNC2 ZINC001241715290 982977952 /nfs/dbraw/zinc/97/79/52/982977952.db2.gz WEPDLSOGEBETAE-UHFFFAOYSA-N 0 1 215.300 2.080 20 0 BEADMN COc1nc(-c2cscc2C)nc2[nH]cnc21 ZINC001241726583 983013904 /nfs/dbraw/zinc/01/39/04/983013904.db2.gz QMWQGCHTMMOCSH-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001472028496 983015991 /nfs/dbraw/zinc/01/59/91/983015991.db2.gz FJYUWGLCHDSHJI-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCCSC1 ZINC001353823238 983018125 /nfs/dbraw/zinc/01/81/25/983018125.db2.gz IJMGGTIYEFFGFI-UHFFFAOYSA-N 0 1 247.323 2.100 20 0 BEADMN C[C@H](O)CN1CCC[C@H]1c1cc(F)ccc1F ZINC001251961315 983036210 /nfs/dbraw/zinc/03/62/10/983036210.db2.gz GLFNNMAYAULIDB-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1C ZINC000716921996 983084865 /nfs/dbraw/zinc/08/48/65/983084865.db2.gz LWGNIYWRQVNXAS-SDDRHHMPSA-N 0 1 247.342 2.079 20 0 BEADMN CC(C)SCC[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001591823896 983094475 /nfs/dbraw/zinc/09/44/75/983094475.db2.gz PWNSBEGWKFVSPW-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1cscn1 ZINC001241890106 983106539 /nfs/dbraw/zinc/10/65/39/983106539.db2.gz FYPUALQCPGINCJ-UHFFFAOYSA-N 0 1 220.232 2.221 20 0 BEADMN c1cc2c(ncnc2-c2ccc3nn[nH]c3c2)o1 ZINC001241938191 983150641 /nfs/dbraw/zinc/15/06/41/983150641.db2.gz HNOZTVIJXKQJSU-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN Cc1nc(C)c(C)c(-c2ccc3[nH]nnc3c2)n1 ZINC001241939696 983154372 /nfs/dbraw/zinc/15/43/72/983154372.db2.gz FQTRRNDASKMEKS-UHFFFAOYSA-N 0 1 239.282 2.340 20 0 BEADMN Cc1nc(C)c(C)c(-c2ccc3nn[nH]c3c2)n1 ZINC001241939696 983154378 /nfs/dbraw/zinc/15/43/78/983154378.db2.gz FQTRRNDASKMEKS-UHFFFAOYSA-N 0 1 239.282 2.340 20 0 BEADMN CCCc1nccnc1-c1ccc2nn[nH]c2c1 ZINC001241939850 983155683 /nfs/dbraw/zinc/15/56/83/983155683.db2.gz NEFCVUNJWZSLMJ-UHFFFAOYSA-N 0 1 239.282 2.367 20 0 BEADMN Cc1ncc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241940826 983156718 /nfs/dbraw/zinc/15/67/18/983156718.db2.gz QGFOWDOLAYHVQB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ncc(-c2ccc3nn[nH]c3c2)cc1F ZINC001241940826 983156721 /nfs/dbraw/zinc/15/67/21/983156721.db2.gz QGFOWDOLAYHVQB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Fc1ccncc1-c1ccc2nn[nH]c2c1 ZINC001241940515 983156955 /nfs/dbraw/zinc/15/69/55/983156955.db2.gz IOIWOVVHQWOBEN-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1cnc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001241942451 983159274 /nfs/dbraw/zinc/15/92/74/983159274.db2.gz UDIZVGLMIXIISO-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001241942451 983159281 /nfs/dbraw/zinc/15/92/81/983159281.db2.gz UDIZVGLMIXIISO-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(C)c(-c2ccc3[nH]nnc3c2)cn1 ZINC001241941719 983159833 /nfs/dbraw/zinc/15/98/33/983159833.db2.gz JXQHOJHLZIYHSL-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(C)c(-c2ccc3nn[nH]c3c2)cn1 ZINC001241941719 983159838 /nfs/dbraw/zinc/15/98/38/983159838.db2.gz JXQHOJHLZIYHSL-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)n1cc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241942345 983160807 /nfs/dbraw/zinc/16/08/07/983160807.db2.gz PPKSBALXZQMLMY-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC(C)n1cc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241942345 983160809 /nfs/dbraw/zinc/16/08/09/983160809.db2.gz PPKSBALXZQMLMY-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CCc1onc(C)c1CSc1nnc(C)[nH]1 ZINC001354148537 983173873 /nfs/dbraw/zinc/17/38/73/983173873.db2.gz FLAYZRXSGMQYSU-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CC(=O)N1CC=C(c2cccc3nc[nH]c32)CC1 ZINC001241969004 983176120 /nfs/dbraw/zinc/17/61/20/983176120.db2.gz XQOLQYNBYIZWAM-UHFFFAOYSA-N 0 1 241.294 2.199 20 0 BEADMN CC(C)(CCNc1nccnc1CN)C1CC1 ZINC001354203677 983192644 /nfs/dbraw/zinc/19/26/44/983192644.db2.gz GHEQDXCQSMYWLF-UHFFFAOYSA-N 0 1 234.347 2.174 20 0 BEADMN CO[C@H](C)c1cccc(-c2cnc(CN)nc2)c1 ZINC001242032692 983245198 /nfs/dbraw/zinc/24/51/98/983245198.db2.gz NXPZBZCOFHOIMD-SNVBAGLBSA-N 0 1 243.310 2.310 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CC(=O)NC[C@H]1C ZINC001201496524 983261609 /nfs/dbraw/zinc/26/16/09/983261609.db2.gz OANSPEWOQPXGCK-QWHCGFSZSA-N 0 1 238.375 2.189 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccnnc1 ZINC001242058879 983268299 /nfs/dbraw/zinc/26/82/99/983268299.db2.gz LKBHCBQTMCIFHT-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(C)Cc1ccc(-c2ccnnc2)cc1F ZINC001242068458 983296119 /nfs/dbraw/zinc/29/61/19/983296119.db2.gz PPXPULQZMDEWBM-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN Cc1cc(N)ncc1-c1cc(N(C)C)ccn1 ZINC001242073109 983311502 /nfs/dbraw/zinc/31/15/02/983311502.db2.gz XZCKAOZVCMVDNK-UHFFFAOYSA-N 0 1 228.299 2.100 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1cc(F)cc(F)c1O ZINC001354497199 983314686 /nfs/dbraw/zinc/31/46/86/983314686.db2.gz ZQUBQEHGZMNXRU-NKWVEPMBSA-N 0 1 241.237 2.056 20 0 BEADMN CCc1ccc2c(c1)CC[N@H+](CCC(=O)[O-])C2 ZINC001593640513 983324128 /nfs/dbraw/zinc/32/41/28/983324128.db2.gz AMRREXZBERKLOZ-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN CCOC(=O)/C=C\CN[C@H](C)c1cnccc1C ZINC001354582671 983324358 /nfs/dbraw/zinc/32/43/58/983324358.db2.gz BQGNZCKRNVWATG-FOQNGQEVSA-N 0 1 248.326 2.160 20 0 BEADMN CCc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)[O-])C2 ZINC001593640851 983325447 /nfs/dbraw/zinc/32/54/47/983325447.db2.gz NDAKHYRDAFENOO-SNVBAGLBSA-N 0 1 233.311 2.080 20 0 BEADMN Cc1noc(C)c1-c1ccc2nn[nH]c2c1 ZINC001242106295 983350768 /nfs/dbraw/zinc/35/07/68/983350768.db2.gz QFWDQSIKGVCMRW-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCCN(C)Cc1cn2ccc(C)cc2n1 ZINC001201652303 983406007 /nfs/dbraw/zinc/40/60/07/983406007.db2.gz KXVNLYNWLWLBEX-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN Cc1ccc(-c2ccc(F)cc2O)nc1N ZINC001242216046 983412267 /nfs/dbraw/zinc/41/22/67/983412267.db2.gz NPPWXBCQJGUTOZ-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN COCc1ccc(-c2ccc(F)cc2O)nn1 ZINC001242217072 983415563 /nfs/dbraw/zinc/41/55/63/983415563.db2.gz LAGCNCPLVMVDLK-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Nc1nc2ccccc2n1-c1cnn(C(F)F)c1 ZINC001201724221 983427721 /nfs/dbraw/zinc/42/77/21/983427721.db2.gz OBBFCRDCCNOXIW-UHFFFAOYSA-N 0 1 249.224 2.199 20 0 BEADMN CCCCCCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201743005 983442626 /nfs/dbraw/zinc/44/26/26/983442626.db2.gz GHSYRLPRUBWZHD-RYUDHWBXSA-N 0 1 235.318 2.311 20 0 BEADMN c1cn(C2CC2)c(CN[C@H]2C=CCCC2)n1 ZINC001355273674 983459523 /nfs/dbraw/zinc/45/95/23/983459523.db2.gz FNPSEDKGAYCIJC-NSHDSACASA-N 0 1 217.316 2.416 20 0 BEADMN COc1nccc(CNC/C=C\C2CC2)c1F ZINC001355323511 983474467 /nfs/dbraw/zinc/47/44/67/983474467.db2.gz XTZLRVWFXIHMSN-IHWYPQMZSA-N 0 1 236.290 2.285 20 0 BEADMN COc1cc2c(cc1OC)CN(CC1CC1)C2 ZINC001201952600 983523638 /nfs/dbraw/zinc/52/36/38/983523638.db2.gz WWGVFDICZFNELX-UHFFFAOYSA-N 0 1 233.311 2.429 20 0 BEADMN Nc1cccc(-c2cccc(F)c2O)n1 ZINC001242348321 983608496 /nfs/dbraw/zinc/60/84/96/983608496.db2.gz PTLBXZVTFKLSAX-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN Cc1ccc(C(N)=O)c(-c2cccc(F)c2O)n1 ZINC001242349527 983609633 /nfs/dbraw/zinc/60/96/33/983609633.db2.gz UIDJFLMVJXALBM-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN CCOc1cnc(-c2cccc(F)c2O)cn1 ZINC001242352855 983628402 /nfs/dbraw/zinc/62/84/02/983628402.db2.gz RYDIKSDOCPHRQU-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN CN(CCCC(F)(F)F)Cc1ccno1 ZINC001202443241 983662047 /nfs/dbraw/zinc/66/20/47/983662047.db2.gz PMWYPIDSRPXKIT-UHFFFAOYSA-N 0 1 222.210 2.449 20 0 BEADMN Cc1ncccc1CNc1cccc2[nH]nnc21 ZINC001202457595 983666546 /nfs/dbraw/zinc/66/65/46/983666546.db2.gz RUQZKYZXGNHYGQ-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cn1cnc2c1CCN(CCCC(F)(F)F)C2 ZINC001202432970 983673574 /nfs/dbraw/zinc/67/35/74/983673574.db2.gz DJQOMECIZRXMDN-UHFFFAOYSA-N 0 1 247.264 2.121 20 0 BEADMN Cc1ccc(-c2cccc3[nH]nnc32)cc1CO ZINC001242385078 983675053 /nfs/dbraw/zinc/67/50/53/983675053.db2.gz BFZHJJMCPDDQHC-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CC1 ZINC001596295839 983718499 /nfs/dbraw/zinc/71/84/99/983718499.db2.gz RKERRIXFXGLIDA-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(C(C)C)c1 ZINC001242434492 983734244 /nfs/dbraw/zinc/73/42/44/983734244.db2.gz LJLVJCMOBGUIFZ-UHFFFAOYSA-N 0 1 216.288 2.417 20 0 BEADMN Cn1ccc(-c2ccc3c(N)ccnc3c2)n1 ZINC001242459814 983775110 /nfs/dbraw/zinc/77/51/10/983775110.db2.gz LFZRIRJWMADPSB-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN Cn1ccc(-c2cc3nc[nH]c3cc2F)n1 ZINC001242460251 983780438 /nfs/dbraw/zinc/78/04/38/983780438.db2.gz ULAARHSKNDVWRG-UHFFFAOYSA-N 0 1 216.219 2.103 20 0 BEADMN Cc1cnc(-c2cnn(C(F)(F)F)c2)cc1N ZINC001242462328 983784666 /nfs/dbraw/zinc/78/46/66/983784666.db2.gz DYCWDUMMDOQVCJ-UHFFFAOYSA-N 0 1 242.204 2.312 20 0 BEADMN Nc1ccnc(CNC(=O)C[C@@H]2CC=CCC2)c1 ZINC001358052236 983821808 /nfs/dbraw/zinc/82/18/08/983821808.db2.gz RCJXQTWWCDWQCF-LLVKDONJSA-N 0 1 245.326 2.026 20 0 BEADMN CN(C)c1cncc(-c2cccc3[nH]nnc32)c1 ZINC001242527508 983849596 /nfs/dbraw/zinc/84/95/96/983849596.db2.gz AZEJZEBNYSFTEZ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CCC[C@H](O)CN1CCCC(F)(F)[C@H](F)C1 ZINC001252778394 983881919 /nfs/dbraw/zinc/88/19/19/983881919.db2.gz KEUGZWPTOJHPHT-VHSXEESVSA-N 0 1 239.281 2.217 20 0 BEADMN Fc1cccc([C@H]2CCN(CC3=NOCC3)C2)c1 ZINC001473431434 983887473 /nfs/dbraw/zinc/88/74/73/983887473.db2.gz DYTWCNLQGIKCAA-LBPRGKRZSA-N 0 1 248.301 2.391 20 0 BEADMN CCC[C@H](O)CNc1ccc2c(C)[nH]nc2c1 ZINC001252793940 983891412 /nfs/dbraw/zinc/89/14/12/983891412.db2.gz SFARVQDNIMLXKD-NSHDSACASA-N 0 1 233.315 2.444 20 0 BEADMN c1cc(N2CCCC2)oc1CN1CCC1 ZINC001137060608 983892445 /nfs/dbraw/zinc/89/24/45/983892445.db2.gz XKCYXMBJHZOMHU-UHFFFAOYSA-N 0 1 206.289 2.086 20 0 BEADMN CCC[C@H](O)CN[C@H](CF)c1ccccc1 ZINC001252804785 983899835 /nfs/dbraw/zinc/89/98/35/983899835.db2.gz XCOUYNJBRIOAEA-QWHCGFSZSA-N 0 1 225.307 2.448 20 0 BEADMN Cc1c(N)ccnc1-c1cccc2c1OCO2 ZINC001242586368 983901985 /nfs/dbraw/zinc/90/19/85/983901985.db2.gz YAEURLICQXXQDM-UHFFFAOYSA-N 0 1 228.251 2.368 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001137074587 983909908 /nfs/dbraw/zinc/90/99/08/983909908.db2.gz QXZZGLUFHMLBCY-RWMBFGLXSA-N 0 1 237.322 2.254 20 0 BEADMN CC(C)n1cc(CN2CCC[C@]3(CCO3)C2)cn1 ZINC001137080365 983917972 /nfs/dbraw/zinc/91/79/72/983917972.db2.gz FIFRDYOJXPZIAY-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN FC1(F)CC2(C1)CCN(Cc1cc[nH]n1)CC2 ZINC001137124877 983958999 /nfs/dbraw/zinc/95/89/99/983958999.db2.gz CMJVKWWJJRTJGC-UHFFFAOYSA-N 0 1 241.285 2.421 20 0 BEADMN CC(=O)c1cc(-c2cc(N(C)C)ccn2)ccn1 ZINC001242607641 983968922 /nfs/dbraw/zinc/96/89/22/983968922.db2.gz AWQKKMMPSSAJJP-UHFFFAOYSA-N 0 1 241.294 2.412 20 0 BEADMN Cc1cccc2c(CN(C)[C@@H]3CCOC3)[nH]nc21 ZINC001137148061 983975290 /nfs/dbraw/zinc/97/52/90/983975290.db2.gz QIZCDMPTOOQFGQ-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc(CO)cc1-c1[nH]ccc2ncnc1-2 ZINC001242665460 984031927 /nfs/dbraw/zinc/03/19/27/984031927.db2.gz DAKKOAZMCFCNTM-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(CO)cc1-c1nccc2[nH]cnc21 ZINC001242665460 984031941 /nfs/dbraw/zinc/03/19/41/984031941.db2.gz DAKKOAZMCFCNTM-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN c1ccc(OC2CN(CC3CCOCC3)C2)cc1 ZINC001202591892 984101084 /nfs/dbraw/zinc/10/10/84/984101084.db2.gz UBRKRNMWPBDJIL-UHFFFAOYSA-N 0 1 247.338 2.176 20 0 BEADMN CC1(C)CO[C@@H](CNCc2nccs2)C1 ZINC000717398969 984188632 /nfs/dbraw/zinc/18/86/32/984188632.db2.gz WEHKADHRZNXJGG-SECBINFHSA-N 0 1 226.345 2.048 20 0 BEADMN CN(C)Cc1ccc(-c2nccs2)nc1 ZINC001242895099 984249400 /nfs/dbraw/zinc/24/94/00/984249400.db2.gz IFFNHNVXYBWRQO-UHFFFAOYSA-N 0 1 219.313 2.267 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001435092190 984280138 /nfs/dbraw/zinc/28/01/38/984280138.db2.gz QSKBMTJHXICSRW-KCJUWKMLSA-N 0 1 237.274 2.450 20 0 BEADMN COc1ccc(-c2cccc3[nH]nnc32)c(C)n1 ZINC001242928070 984301475 /nfs/dbraw/zinc/30/14/75/984301475.db2.gz OLAXLRISEZBAJZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN OCc1cncc(-c2cc3nc[nH]c3cc2F)c1 ZINC001242975208 984346632 /nfs/dbraw/zinc/34/66/32/984346632.db2.gz YKKZJWQGBCYUCS-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)[nH]1 ZINC001439511841 984389310 /nfs/dbraw/zinc/38/93/10/984389310.db2.gz OCECLQVJYVWXPV-JGVFFNPUSA-N 0 1 238.335 2.370 20 0 BEADMN COc1cccc(-c2cncc3nc(C)[nH]c32)n1 ZINC001243099808 984534627 /nfs/dbraw/zinc/53/46/27/984534627.db2.gz NGGUBKFFXPJNQT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001443770170 984536536 /nfs/dbraw/zinc/53/65/36/984536536.db2.gz ROGWRHRVWZUYSQ-SECBINFHSA-N 0 1 243.310 2.339 20 0 BEADMN c1c2ccccc2[nH]c1-c1cc2c(nn1)CNC2 ZINC001243104856 984543760 /nfs/dbraw/zinc/54/37/60/984543760.db2.gz FSORTVKNKVDIMQ-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2nnc(C)o2)C1 ZINC000718896855 984556992 /nfs/dbraw/zinc/55/69/92/984556992.db2.gz XMKFQTYCQRIGCZ-NXEZZACHSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H](F)CN(C)C[C@@H](C)NC(=O)C=C(C)C ZINC001275495684 984583204 /nfs/dbraw/zinc/58/32/04/984583204.db2.gz BQBHLUOGUCXPQR-NEPJUHHUSA-N 0 1 244.354 2.137 20 0 BEADMN CSc1ncc(-c2cnc(CN)nc2)cc1C ZINC001243149033 984611699 /nfs/dbraw/zinc/61/16/99/984611699.db2.gz VRZNYWQVZRAQDW-UHFFFAOYSA-N 0 1 246.339 2.028 20 0 BEADMN Cc1cnc(F)c(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001243162973 984615565 /nfs/dbraw/zinc/61/55/65/984615565.db2.gz QBSKLGUAKKLNIU-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC001588945767 984654570 /nfs/dbraw/zinc/65/45/70/984654570.db2.gz MSMWTHTUZASOSA-TTZKWOQHSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@H]1c1ccccc1 ZINC001588948575 984665989 /nfs/dbraw/zinc/66/59/89/984665989.db2.gz IZDMDXAUJVRXGM-FUWURINLSA-N 0 1 231.295 2.464 20 0 BEADMN C/C(=C\C[N@@H+](CC1CC1)C1CCC1)C(=O)[O-] ZINC001588958425 984712676 /nfs/dbraw/zinc/71/26/76/984712676.db2.gz JYBYFKPWCOFUNR-JXMROGBWSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)cc1O ZINC001243228283 984750802 /nfs/dbraw/zinc/75/08/02/984750802.db2.gz YUQPRAMAYBVPRB-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN Cc1cc(C)cc(CN2CC3(CCN3C)C2)c1 ZINC001276171689 984823108 /nfs/dbraw/zinc/82/31/08/984823108.db2.gz WTTKTHZSQRYSLK-UHFFFAOYSA-N 0 1 230.355 2.193 20 0 BEADMN COc1ncncc1-c1ccc(O)c(F)c1F ZINC001243343101 984832343 /nfs/dbraw/zinc/83/23/43/984832343.db2.gz PUTQHBHAGRGYRF-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN C/C(Cl)=C\C(=O)NCc1ccc2nc[nH]c2c1 ZINC001449990246 984856788 /nfs/dbraw/zinc/85/67/88/984856788.db2.gz ZUVLMQRTZMWHIY-XBXARRHUSA-N 0 1 249.701 2.322 20 0 BEADMN CC/C=C(\F)C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001450049590 984860170 /nfs/dbraw/zinc/86/01/70/984860170.db2.gz GRYHWQGAWCXDRM-OQFOIZHKSA-N 0 1 249.245 2.470 20 0 BEADMN CCC[C@@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257304983 984876830 /nfs/dbraw/zinc/87/68/30/984876830.db2.gz SKNRPILOEUKKIL-MRVPVSSYSA-N 0 1 242.344 2.208 20 0 BEADMN CCC[C@@H](C)NCc1nccnc1Cl ZINC001257304737 984876882 /nfs/dbraw/zinc/87/68/82/984876882.db2.gz NXRQIYXFIPVWLZ-MRVPVSSYSA-N 0 1 213.712 2.408 20 0 BEADMN CCC[C@H](C)N[C@H]1NC(=O)c2ccccc21 ZINC001257309961 984883814 /nfs/dbraw/zinc/88/38/14/984883814.db2.gz OLHWPDREJDOJRQ-CABZTGNLSA-N 0 1 218.300 2.207 20 0 BEADMN O=c1cc(-c2ccc3cncn3c2)cc[nH]1 ZINC001243424404 984896556 /nfs/dbraw/zinc/89/65/56/984896556.db2.gz FYIUKVBFQXLLPO-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cc[nH]c(=O)c1 ZINC001243426623 984904057 /nfs/dbraw/zinc/90/40/57/984904057.db2.gz AFFLCVRYDJHYRK-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN OCc1ccc(-c2cncc3cc[nH]c32)cn1 ZINC001243467847 985000611 /nfs/dbraw/zinc/00/06/11/985000611.db2.gz BTSVAHXMYZHGMC-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Nc1cc(-c2cc(F)cc(F)c2O)ncc1F ZINC001243502852 985061894 /nfs/dbraw/zinc/06/18/94/985061894.db2.gz CGMLSRPTOXSRBS-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Oc1cccc(-c2cccc3[nH]nnc32)c1F ZINC001243546652 985087736 /nfs/dbraw/zinc/08/77/36/985087736.db2.gz BUMOIIJOOLGFTA-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCC[C@@H](C)CC[C@H](C)N1CCO[C@@H](CO)C1 ZINC001257477176 985102756 /nfs/dbraw/zinc/10/27/56/985102756.db2.gz MPKCYVBOPXBQRU-HZSPNIEDSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1ncc(CNC(=O)/C=C2/CC[C@@H](C)C2)[nH]1 ZINC001456144738 985113033 /nfs/dbraw/zinc/11/30/33/985113033.db2.gz XPAVEMQICFXJHN-PAKSIRSJSA-N 0 1 247.342 2.335 20 0 BEADMN CCc1ncc(CNC(=O)[C@H](C)C2CCCC2)[nH]1 ZINC001456144769 985113914 /nfs/dbraw/zinc/11/39/14/985113914.db2.gz XQPIBGRCLJZOHP-SNVBAGLBSA-N 0 1 249.358 2.415 20 0 BEADMN CCCCC[C@H](C)N(C)CC(=O)OCC ZINC001257511203 985143598 /nfs/dbraw/zinc/14/35/98/985143598.db2.gz HNEFACYLTYCTLK-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN [O-]c1cc(-c2ncnc3c2C[NH2+]C3)ccc1Cl ZINC001243576844 985132710 /nfs/dbraw/zinc/13/27/10/985132710.db2.gz PKKNKLWGUMONOQ-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN [O-]c1cc(-c2cc3c(nn2)C[NH2+]C3)ccc1Cl ZINC001243579697 985135409 /nfs/dbraw/zinc/13/54/09/985135409.db2.gz XKEUBNCFXAPFMH-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CCCCC[C@@H](C)N1CC(N2CC(F)C2)C1 ZINC001257508372 985139989 /nfs/dbraw/zinc/13/99/89/985139989.db2.gz GMJZYJSNXKHZOK-LLVKDONJSA-N 0 1 228.355 2.293 20 0 BEADMN CCCCC[C@@H](C)N(C)[C@H](C)C(=O)OC ZINC001257516431 985180152 /nfs/dbraw/zinc/18/01/52/985180152.db2.gz JWOWSUASHNZOPB-GHMZBOCLSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCC[C@H](C)N(CC)CC(=O)OC ZINC001257517807 985192821 /nfs/dbraw/zinc/19/28/21/985192821.db2.gz FRHMCMOGQRHDPK-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN Cc1cc(CO)cc(-c2cccc3[nH]nnc32)c1 ZINC001243700285 985234243 /nfs/dbraw/zinc/23/42/43/985234243.db2.gz CHCXIPXJRYPOJC-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCc1ccc(Nc2nccnc2CN)cc1 ZINC001458060731 985253187 /nfs/dbraw/zinc/25/31/87/985253187.db2.gz DJYURJPDSODBLH-UHFFFAOYSA-N 0 1 228.299 2.241 20 0 BEADMN CO[C@H]1CC[C@@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000687189636 985253328 /nfs/dbraw/zinc/25/33/28/985253328.db2.gz OMNNZIOSFIGRBM-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN O=c1cccc(-c2nccc3[nH]ccc32)[nH]1 ZINC001243734164 985259113 /nfs/dbraw/zinc/25/91/13/985259113.db2.gz FADCFEWGCWKUJF-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Cc1cnc(F)cc1-c1cncc2nc[nH]c21 ZINC001243784778 985334695 /nfs/dbraw/zinc/33/46/95/985334695.db2.gz RZTUMIDLDLSESM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ncc(CNc2cc(C3CC3)ncn2)[nH]1 ZINC001458655745 985339938 /nfs/dbraw/zinc/33/99/38/985339938.db2.gz PJOGMHCXKFQXBW-UHFFFAOYSA-N 0 1 243.314 2.252 20 0 BEADMN CC(C)=CCC[C@H](C)N1CC2(C1)CS(=O)C2 ZINC001258089097 985392299 /nfs/dbraw/zinc/39/22/99/985392299.db2.gz RGSURSFKECCHFL-LBPRGKRZSA-N 0 1 241.400 2.186 20 0 BEADMN CC[C@]1(C)COCCN1C[C@H](O)c1ccccc1 ZINC000687943137 985423725 /nfs/dbraw/zinc/42/37/25/985423725.db2.gz BYRVYWVJSNPZQB-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN C[Si](C)(C)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001599939735 985439712 /nfs/dbraw/zinc/43/97/12/985439712.db2.gz JPDZUOFTVLGVDS-UHFFFAOYSA-N 0 1 241.407 2.336 20 0 BEADMN c1nc2cccc(-c3ccnc4[nH]cnc43)c2[nH]1 ZINC001243932121 985608970 /nfs/dbraw/zinc/60/89/70/985608970.db2.gz DGJBONNKNMBFBH-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN c1nc2cccc(-c3cccn4cnnc34)c2[nH]1 ZINC001243933889 985616835 /nfs/dbraw/zinc/61/68/35/985616835.db2.gz QSZVSZLFGSJDOV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc(OC2CCC2)ncc1C1=CNCCC1 ZINC001243951148 985648779 /nfs/dbraw/zinc/64/87/79/985648779.db2.gz BQFZDFLLDQLUOP-UHFFFAOYSA-N 0 1 231.299 2.132 20 0 BEADMN Cc1cnc2ncc(C3=CNCCC3)cc2n1 ZINC001243951753 985656182 /nfs/dbraw/zinc/65/61/82/985656182.db2.gz CWPCFMFSFOVHND-UHFFFAOYSA-N 0 1 226.283 2.058 20 0 BEADMN CCOCc1cncc(C2=CNCCC2)c1 ZINC001243951222 985657696 /nfs/dbraw/zinc/65/76/96/985657696.db2.gz CXSSUOBEJFHBNT-UHFFFAOYSA-N 0 1 218.300 2.342 20 0 BEADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2F)[C@H]1C ZINC001594499441 985665797 /nfs/dbraw/zinc/66/57/97/985665797.db2.gz DNDCSDZYRCSGGE-PTRXPTGYSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)[C@H]1C ZINC001594499441 985665808 /nfs/dbraw/zinc/66/58/08/985665808.db2.gz DNDCSDZYRCSGGE-PTRXPTGYSA-N 0 1 237.274 2.292 20 0 BEADMN COc1nc(OC)c(C2=CNCCC2)cc1C ZINC001243953679 985666567 /nfs/dbraw/zinc/66/65/67/985666567.db2.gz MAQYYVQVWNUKBB-UHFFFAOYSA-N 0 1 234.299 2.132 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1cccnc1N ZINC001459932588 985670463 /nfs/dbraw/zinc/67/04/63/985670463.db2.gz LFMCBQIGRNTPER-NSHDSACASA-N 0 1 242.326 2.218 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC001594500271 985674616 /nfs/dbraw/zinc/67/46/16/985674616.db2.gz UODAECGDACUQDJ-CSMHCCOUSA-N 0 1 240.328 2.243 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC001594500271 985674623 /nfs/dbraw/zinc/67/46/23/985674623.db2.gz UODAECGDACUQDJ-CSMHCCOUSA-N 0 1 240.328 2.243 20 0 BEADMN Cc1nc2cc(-c3cn(C)cn3)ccc2[nH]1 ZINC001243965916 985678003 /nfs/dbraw/zinc/67/80/03/985678003.db2.gz XIUUNRJKQCDSTD-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CCN([C@H](C)CCSC)[C@@H](C)C(=O)OC ZINC001258230271 985681753 /nfs/dbraw/zinc/68/17/53/985681753.db2.gz SFHNEYBPXXREPY-ZJUUUORDSA-N 0 1 233.377 2.011 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC001459985778 985694595 /nfs/dbraw/zinc/69/45/95/985694595.db2.gz OIGDYJCOOVGPAL-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1C[C@@H](c2cccnc2)N(CC2=NOCC2)C1 ZINC001459998485 985697383 /nfs/dbraw/zinc/69/73/83/985697383.db2.gz VJMILFPRTYXDAD-RISCZKNCSA-N 0 1 245.326 2.241 20 0 BEADMN CC(=O)[C@@H]1CN(C2CCCCCCC2)CCO1 ZINC001258240754 985697496 /nfs/dbraw/zinc/69/74/96/985697496.db2.gz CHUOVEVNJRLTLC-AWEZNQCLSA-N 0 1 239.359 2.389 20 0 BEADMN C[C@@H]1C[C@H](c2cccnc2)N(CC2=NOCC2)C1 ZINC001459998475 985697702 /nfs/dbraw/zinc/69/77/02/985697702.db2.gz VJMILFPRTYXDAD-BXUZGUMPSA-N 0 1 245.326 2.241 20 0 BEADMN COc1cc(O)ccc1-c1ccc2[nH]nnc2c1 ZINC001243979995 985708240 /nfs/dbraw/zinc/70/82/40/985708240.db2.gz YUQHGFUCBVRTPD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cc(O)ccc1-c1ccc2nn[nH]c2c1 ZINC001243979995 985708255 /nfs/dbraw/zinc/70/82/55/985708255.db2.gz YUQHGFUCBVRTPD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Nc1ccc(-c2c(O)cccc2Cl)nn1 ZINC001244038539 985768699 /nfs/dbraw/zinc/76/86/99/985768699.db2.gz WFQXLXQTTADFPY-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN Cc1[nH]c(C[NH+]2CC3(CCC3)C2)cc1C(=O)[O-] ZINC001599961453 985790211 /nfs/dbraw/zinc/79/02/11/985790211.db2.gz GRRRSRFOINBJDQ-UHFFFAOYSA-N 0 1 234.299 2.007 20 0 BEADMN Cc1nnc(-c2cc(F)c(O)c(F)c2)nc1C ZINC001244094196 985806779 /nfs/dbraw/zinc/80/67/79/985806779.db2.gz DYGFVNVBECOBMU-UHFFFAOYSA-N 0 1 237.209 2.139 20 0 BEADMN CO[C@@H]1CC=C(Nc2cnn3cccnc23)CC1 ZINC001212873547 985824018 /nfs/dbraw/zinc/82/40/18/985824018.db2.gz OFOAMPTZCIKHRN-LLVKDONJSA-N 0 1 244.298 2.224 20 0 BEADMN COC(=O)CC[C@@H](C)N[C@@H](C)c1cscn1 ZINC001258351544 985827807 /nfs/dbraw/zinc/82/78/07/985827807.db2.gz SBELFXJJFIKFQP-BDAKNGLRSA-N 0 1 242.344 2.135 20 0 BEADMN Cc1cn(C)nc1CN1C[C@H]2CCCC[C@H]21 ZINC001460349701 985835458 /nfs/dbraw/zinc/83/54/58/985835458.db2.gz JHAQFXXBXXWFRZ-DGCLKSJQSA-N 0 1 219.332 2.103 20 0 BEADMN CO[C@H]1CC=C(Nc2cc3n(n2)CCCO3)CC1 ZINC001212876689 985839713 /nfs/dbraw/zinc/83/97/13/985839713.db2.gz IFMZGOVZOHETDS-NSHDSACASA-N 0 1 249.314 2.160 20 0 BEADMN C[C@H]1c2sccc2CCN1CC1=NOCC1 ZINC001460720411 985883588 /nfs/dbraw/zinc/88/35/88/985883588.db2.gz LGJNMDQXOOQJSR-VIFPVBQESA-N 0 1 236.340 2.444 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@@H](C2CCCC2)C1 ZINC001460946525 985957543 /nfs/dbraw/zinc/95/75/43/985957543.db2.gz JJPNFOZRCLKODH-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H]1CN(Cc2ccnc(F)c2)[C@H](C)CCO1 ZINC001460961266 985965070 /nfs/dbraw/zinc/96/50/70/985965070.db2.gz CENCPTGSWXBCCN-GHMZBOCLSA-N 0 1 238.306 2.220 20 0 BEADMN Nc1ccc(F)cc1-c1cc2[nH]cnc2cn1 ZINC001244393475 986037795 /nfs/dbraw/zinc/03/77/95/986037795.db2.gz GYHUQJBIVDMULF-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(F)cc1-c1cc2[nH]nnc2cc1F ZINC001244400196 986062389 /nfs/dbraw/zinc/06/23/89/986062389.db2.gz VXURPYYYWJNDOC-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN NC(=O)c1ccnc(-c2ccc(Cl)cc2O)c1 ZINC001244465625 986134222 /nfs/dbraw/zinc/13/42/22/986134222.db2.gz AJMPYPMRNOASPQ-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN Cc1ccc(-c2[nH]ccc3ncnc2-3)c(CO)c1 ZINC001244485424 986176494 /nfs/dbraw/zinc/17/64/94/986176494.db2.gz SVTDIXUVWOHWMZ-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(-c2nccc3[nH]cnc32)c(CO)c1 ZINC001244485424 986176512 /nfs/dbraw/zinc/17/65/12/986176512.db2.gz SVTDIXUVWOHWMZ-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN COc1ccc(CNCCC(F)F)o1 ZINC001461823001 986183413 /nfs/dbraw/zinc/18/34/13/986183413.db2.gz ZLLWPKKGCPLWTB-UHFFFAOYSA-N 0 1 205.204 2.033 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CCC1(C)C ZINC001579789909 986221984 /nfs/dbraw/zinc/22/19/84/986221984.db2.gz DJOIGFLOSVOWRO-CHWSQXEVSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC/C=C/C1CC1 ZINC001579793634 986224638 /nfs/dbraw/zinc/22/46/38/986224638.db2.gz KIAPUIHGFVRNIA-YVZNUBBCSA-N 0 1 244.338 2.077 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC/C=C\C1CC1 ZINC001579793629 986227265 /nfs/dbraw/zinc/22/72/65/986227265.db2.gz KIAPUIHGFVRNIA-KXQLTZBTSA-N 0 1 244.338 2.077 20 0 BEADMN CC(C)C1CCC(N2CCNC(=O)[C@H]2C)CC1 ZINC001258803695 986261458 /nfs/dbraw/zinc/26/14/58/986261458.db2.gz HCJHEOYFZMZWKP-PNESKVBLSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncn(C)n1 ZINC001462090244 986281771 /nfs/dbraw/zinc/28/17/71/986281771.db2.gz FRFYSQKTBOHRNQ-BJDJZHNGSA-N 0 1 234.347 2.044 20 0 BEADMN CC[C@]1(O)CCN(Cc2cccn2C(F)F)C1 ZINC001462124693 986289955 /nfs/dbraw/zinc/28/99/55/986289955.db2.gz GSUMWRNQTURMNV-LBPRGKRZSA-N 0 1 244.285 2.230 20 0 BEADMN OCc1cc(-c2ccc3cncn3c2)ccc1O ZINC001244773389 986335277 /nfs/dbraw/zinc/33/52/77/986335277.db2.gz HRIGPAQOEKYJDL-UHFFFAOYSA-N 0 1 240.262 2.199 20 0 BEADMN OCc1cc(-c2ccc3nc[nH]c3c2)ccc1O ZINC001244775710 986338695 /nfs/dbraw/zinc/33/86/95/986338695.db2.gz SVWRYDYFRGJWPV-UHFFFAOYSA-N 0 1 240.262 2.428 20 0 BEADMN CCn1cc(CN2CC3(CCC3)C2)c(C)n1 ZINC001462324169 986352164 /nfs/dbraw/zinc/35/21/64/986352164.db2.gz XNHQICJLLJYACD-UHFFFAOYSA-N 0 1 219.332 2.197 20 0 BEADMN Cc1nc(-c2cncc(F)c2C)nc2nc[nH]c21 ZINC001244830241 986367292 /nfs/dbraw/zinc/36/72/92/986367292.db2.gz TUKMMXIYRZQGEO-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN Cc1ccc2[nH]c(NC[C@@H](O)C(C)C)nc2c1 ZINC001253752341 986374670 /nfs/dbraw/zinc/37/46/70/986374670.db2.gz FKAGWXVLNAGEDZ-GFCCVEGCSA-N 0 1 233.315 2.300 20 0 BEADMN CC(C)[C@@H](O)CNC(C)(C)C(=O)c1ccccc1 ZINC001253777849 986411397 /nfs/dbraw/zinc/41/13/97/986411397.db2.gz UTYAEVHRJNYSIK-ZDUSSCGKSA-N 0 1 249.354 2.254 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC001139156629 986508194 /nfs/dbraw/zinc/50/81/94/986508194.db2.gz YEQKKKXNDSCIGL-GFCCVEGCSA-N 0 1 244.338 2.399 20 0 BEADMN CNc1cc(-c2cc3[nH]nnc3cc2F)ccn1 ZINC001244973953 986554161 /nfs/dbraw/zinc/55/41/61/986554161.db2.gz TTZFDZUVVPKCNG-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CNc1cc(-c2cccn3cncc23)ccn1 ZINC001244975157 986558329 /nfs/dbraw/zinc/55/83/29/986558329.db2.gz BXWWECIPRHBGHQ-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN O=C(Nc1cccc(O)c1)c1cccc(F)c1O ZINC001463608796 986560799 /nfs/dbraw/zinc/56/07/99/986560799.db2.gz OVWREFOTHHQWPU-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CC[C@H](C)SC2)[nH]1 ZINC000689430802 986604131 /nfs/dbraw/zinc/60/41/31/986604131.db2.gz FTXFAUIXTWRUEL-NRPADANISA-N 0 1 240.376 2.048 20 0 BEADMN Oc1ccc(Cl)cc1-c1ncnc2[nH]cnc21 ZINC001245052356 986609934 /nfs/dbraw/zinc/60/99/34/986609934.db2.gz YAIRDRLAENIZBM-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN COc1cc(-c2cncc3nc[nH]c32)cnc1F ZINC001245076752 986639813 /nfs/dbraw/zinc/63/98/13/986639813.db2.gz WJLZSQVNCWKCPT-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCCC(C)(C)NC(=O)CCN1CC[C@H](F)C1 ZINC001464558711 986643569 /nfs/dbraw/zinc/64/35/69/986643569.db2.gz DTBWPBNDQKNFJR-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN O=C(NC1(C2CC2)CC1)c1cccc2nc[nH]c21 ZINC001465765336 986736229 /nfs/dbraw/zinc/73/62/29/986736229.db2.gz PVCMQVFJBXVLFR-UHFFFAOYSA-N 0 1 241.294 2.235 20 0 BEADMN O[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[C@@H]1F ZINC001137313903 986753926 /nfs/dbraw/zinc/75/39/26/986753926.db2.gz ZDTJIMIZMCDCOB-JSGCOSHPSA-N 0 1 248.301 2.073 20 0 BEADMN O[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[C@H]1F ZINC001137313905 986756186 /nfs/dbraw/zinc/75/61/86/986756186.db2.gz ZDTJIMIZMCDCOB-TZMCWYRMSA-N 0 1 248.301 2.073 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC001466088573 986767117 /nfs/dbraw/zinc/76/71/17/986767117.db2.gz GTOOPUCEGOMQAU-QWRGUYRKSA-N 0 1 249.358 2.155 20 0 BEADMN Cc1cc(C)c(CN2CCSCC2)[nH]1 ZINC001137324423 986772533 /nfs/dbraw/zinc/77/25/33/986772533.db2.gz RUEZITFOSWYPGD-UHFFFAOYSA-N 0 1 210.346 2.180 20 0 BEADMN Cc1ccc(-c2cnnc(-c3ccn[nH]3)n2)cc1 ZINC001245310790 986790681 /nfs/dbraw/zinc/79/06/81/986790681.db2.gz CPMXRSXPHVXFRQ-UHFFFAOYSA-N 0 1 237.266 2.237 20 0 BEADMN CN1CCc2c(F)cc(-c3cc[nH]n3)cc2C1 ZINC001245314890 986809499 /nfs/dbraw/zinc/80/94/99/986809499.db2.gz PPMUCVBZFZSWPG-UHFFFAOYSA-N 0 1 231.274 2.204 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1[nH]nc2ccccc21 ZINC001137345008 986810192 /nfs/dbraw/zinc/81/01/92/986810192.db2.gz NNISRZFRTMFMLP-NXEZZACHSA-N 0 1 233.290 2.495 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1[nH]nc2ccccc21 ZINC001137353886 986817453 /nfs/dbraw/zinc/81/74/53/986817453.db2.gz ZJTOYOIANIBKLE-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN COc1c(C)cccc1-c1ncc2c(n1)CNC2 ZINC001245359390 986820380 /nfs/dbraw/zinc/82/03/80/986820380.db2.gz QRGLSOFLBIJLJW-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN Nc1cccc(CN2CC[C@@H](C(F)(F)F)C2)n1 ZINC000384070837 986841395 /nfs/dbraw/zinc/84/13/95/986841395.db2.gz VIRZIJAGKLCIGB-MRVPVSSYSA-N 0 1 245.248 2.048 20 0 BEADMN CCn1cc(-c2cc3cccnc3[nH]2)ccc1=O ZINC001245402755 986843224 /nfs/dbraw/zinc/84/32/24/986843224.db2.gz DSHNEBJQXIMWQB-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN CC(C)c1nnc(CN[C@H](C)C2(C)CC2)o1 ZINC000700360052 986857013 /nfs/dbraw/zinc/85/70/13/986857013.db2.gz VUXBCTUHFOYYBV-SECBINFHSA-N 0 1 223.320 2.471 20 0 BEADMN O=C(CN[C@H]1CCSC1)c1cccc(F)c1 ZINC001255276477 986885205 /nfs/dbraw/zinc/88/52/05/986885205.db2.gz SSZFPKQEOUAVOK-NSHDSACASA-N 0 1 239.315 2.104 20 0 BEADMN CCCC[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001255332423 986927754 /nfs/dbraw/zinc/92/77/54/986927754.db2.gz OUBDQEPVRXQDFC-VXGBXAGGSA-N 0 1 247.404 2.074 20 0 BEADMN COc1cc(CN2CCCC2)cc(F)c1OC ZINC001137500499 986935469 /nfs/dbraw/zinc/93/54/69/986935469.db2.gz FMUSVSNAEUGUTO-UHFFFAOYSA-N 0 1 239.290 2.439 20 0 BEADMN C=C/C=C\CC(=O)NCc1ccc2cncn2c1 ZINC001468836339 986938795 /nfs/dbraw/zinc/93/87/95/986938795.db2.gz ZKLLYTJTTBTGSA-ARJAWSKDSA-N 0 1 241.294 2.083 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H](C)C2CCCC2)n[nH]1 ZINC001468934800 986951597 /nfs/dbraw/zinc/95/15/97/986951597.db2.gz GITWVFNVSYLTNM-NSHDSACASA-N 0 1 249.358 2.346 20 0 BEADMN COc1nc(C)cc(-c2c(O)cccc2F)n1 ZINC001245653021 987007258 /nfs/dbraw/zinc/00/72/58/987007258.db2.gz DUEVVFCIJIUSLO-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cc1cncc(-c2c(O)cccc2F)n1 ZINC001245652047 987008459 /nfs/dbraw/zinc/00/84/59/987008459.db2.gz LLWADAJVXNQRCW-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1cccc(F)c1-c1ccc2nccn2n1 ZINC001245653910 987023144 /nfs/dbraw/zinc/02/31/44/987023144.db2.gz BBJTUDFCMCNKAA-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN Cc1cnc(CN)n1[C@@H](C)CC(F)(F)F ZINC001255637238 987037659 /nfs/dbraw/zinc/03/76/59/987037659.db2.gz GEVJAGIFTFYQEO-LURJTMIESA-N 0 1 221.226 2.164 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H]1CCCCC1=O ZINC001255639148 987037943 /nfs/dbraw/zinc/03/79/43/987037943.db2.gz SDFVWYKJUAEAET-JGVFFNPUSA-N 0 1 223.238 2.429 20 0 BEADMN c1cc2cncc(-c3ccc4nncn4c3)c2[nH]1 ZINC001245658995 987043875 /nfs/dbraw/zinc/04/38/75/987043875.db2.gz BGTBLSGMAMGOCB-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(C)cc(O)c1 ZINC001470883438 987070987 /nfs/dbraw/zinc/07/09/87/987070987.db2.gz PRRZIPDSWZYSDM-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cc(C)cc(O)c2)[nH]1 ZINC001470881745 987071444 /nfs/dbraw/zinc/07/14/44/987071444.db2.gz GUFLJJSAJSLALK-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cc(O)ccc2C)[nH]1 ZINC001471127222 987078938 /nfs/dbraw/zinc/07/89/38/987078938.db2.gz LZZRJFDDZAJAKF-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CCOc1cncc(-c2ccc3cncn3c2)n1 ZINC001245894338 987105214 /nfs/dbraw/zinc/10/52/14/987105214.db2.gz HHILEGISVXVSIZ-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN Cc1cnc(-c2ccc3cncn3c2)c(C)n1 ZINC001245895191 987110633 /nfs/dbraw/zinc/11/06/33/987110633.db2.gz RGAPUECTYMMSFN-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN c1ncn2cc(-c3ncnc4ncccc43)ccc12 ZINC001245894995 987110947 /nfs/dbraw/zinc/11/09/47/987110947.db2.gz OAFWZCSNBPLJKN-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN CCC(=O)CCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC001594695102 987111631 /nfs/dbraw/zinc/11/16/31/987111631.db2.gz BERJJEVOIVUORV-LLVKDONJSA-N 0 1 241.331 2.075 20 0 BEADMN c1cn2ccnc(-c3ccc4cncn4c3)c2n1 ZINC001245895940 987113146 /nfs/dbraw/zinc/11/31/46/987113146.db2.gz GVKDXCGOMLXFLX-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCc1cnc(-c2ccc3cncn3c2)nc1 ZINC001245895359 987113210 /nfs/dbraw/zinc/11/32/10/987113210.db2.gz XDJYAZBLYIECAX-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CN(C)c1ncccc1-c1ccc2cncn2c1 ZINC001245896712 987116319 /nfs/dbraw/zinc/11/63/19/987116319.db2.gz UPWVGJWNLOCLPN-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN CCC(=O)CCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001594696415 987121301 /nfs/dbraw/zinc/12/13/01/987121301.db2.gz QPGPSTOSLVEKIX-LBPRGKRZSA-N 0 1 241.331 2.075 20 0 BEADMN Cc1nnc2cc(-c3ccc4cncn4c3)ccn12 ZINC001245896302 987122279 /nfs/dbraw/zinc/12/22/79/987122279.db2.gz LAPNSNHHKAYOAF-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN Cc1cc(C)c(-c2ccc3cncn3c2)nn1 ZINC001245896950 987124016 /nfs/dbraw/zinc/12/40/16/987124016.db2.gz VPLYJVRPXXUVJW-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN c1nc2cc(-c3ccc4cncn4c3)cnc2[nH]1 ZINC001245897868 987125634 /nfs/dbraw/zinc/12/56/34/987125634.db2.gz IYIUABXEAHPLBH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1cn2cc(-c3ccc4cncn4c3)cnc2n1 ZINC001245898722 987127988 /nfs/dbraw/zinc/12/79/88/987127988.db2.gz VWAUYJODLHXWRR-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN C=Cc1ncc(-c2ccc3cncn3c2)cn1 ZINC001245900742 987129883 /nfs/dbraw/zinc/12/98/83/987129883.db2.gz VGLONSNKDZYQSJ-UHFFFAOYSA-N 0 1 222.251 2.434 20 0 BEADMN O=C1Cc2cccc(-c3ccc4cncn4c3)c2N1 ZINC001245898724 987130682 /nfs/dbraw/zinc/13/06/82/987130682.db2.gz VZWPSVXXZXAWPX-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc2n[nH]cc2c1 ZINC001245910870 987135813 /nfs/dbraw/zinc/13/58/13/987135813.db2.gz NSDNEKISCZEGJU-UHFFFAOYSA-N 0 1 240.266 2.332 20 0 BEADMN Cc1ccncc1-n1[nH]c(C(C)C)cc1=O ZINC001245917679 987150569 /nfs/dbraw/zinc/15/05/69/987150569.db2.gz OQHCFCBSWQSTQD-UHFFFAOYSA-N 0 1 217.272 2.405 20 0 BEADMN CCc1cc(=O)n([C@H](C)c2cccc(O)c2)[nH]1 ZINC001245918616 987156568 /nfs/dbraw/zinc/15/65/68/987156568.db2.gz ZYUYWKHVEACCES-SECBINFHSA-N 0 1 232.283 2.466 20 0 BEADMN CCc1ncc(CNC(=O)CC(C)(C)C2CC2)[nH]1 ZINC001472020786 987159991 /nfs/dbraw/zinc/15/99/91/987159991.db2.gz MLIVOESFIAGHFK-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)CC[C@H](C)CC)[nH]1 ZINC001472021217 987161626 /nfs/dbraw/zinc/16/16/26/987161626.db2.gz SPPGXATVQJHBEL-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN CCCc1cc(=O)n(-c2nc(C)cs2)[nH]1 ZINC001245924876 987173159 /nfs/dbraw/zinc/17/31/59/987173159.db2.gz MSSSAMFTGNODMU-UHFFFAOYSA-N 0 1 223.301 2.295 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1C1CCOCC1 ZINC001245924773 987173399 /nfs/dbraw/zinc/17/33/99/987173399.db2.gz FSYONUSPKJPGDJ-UHFFFAOYSA-N 0 1 222.288 2.208 20 0 BEADMN Cc1cc(=O)n(-c2cc(F)ccc2F)[nH]1 ZINC001245926246 987175374 /nfs/dbraw/zinc/17/53/74/987175374.db2.gz WJVXXERMUFTDIY-UHFFFAOYSA-N 0 1 210.183 2.165 20 0 BEADMN O=C(CCC(F)F)Nc1ccc2cncn2c1 ZINC001472135532 987183581 /nfs/dbraw/zinc/18/35/81/987183581.db2.gz WBHSFDULLZUWBW-UHFFFAOYSA-N 0 1 239.225 2.318 20 0 BEADMN CCCN1N=C(c2ccc3c(c2)OCO3)CC1=O ZINC001245929920 987192482 /nfs/dbraw/zinc/19/24/82/987192482.db2.gz ITFZXYIDGDIAFH-UHFFFAOYSA-N 0 1 246.266 2.394 20 0 BEADMN CC(C)(C)c1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001245929290 987193975 /nfs/dbraw/zinc/19/39/75/987193975.db2.gz JCLDRNMBXMQIII-UHFFFAOYSA-N 0 1 231.299 2.330 20 0 BEADMN CC(C)(C)Cc1cc(=O)n(Cc2cncnc2)[nH]1 ZINC001245933769 987196058 /nfs/dbraw/zinc/19/60/58/987196058.db2.gz YGLSSKXGRZMLBQ-UHFFFAOYSA-N 0 1 246.314 2.016 20 0 BEADMN COCCc1cc(=O)n([C@H](C)c2ccccc2)[nH]1 ZINC001245939605 987211776 /nfs/dbraw/zinc/21/17/76/987211776.db2.gz JRORIVKUUFVGMA-LLVKDONJSA-N 0 1 246.310 2.387 20 0 BEADMN CCCCCc1cc(=O)n(-c2ncc[nH]2)[nH]1 ZINC001245943895 987217097 /nfs/dbraw/zinc/21/70/97/987217097.db2.gz YFFWYLOKYMSGGV-UHFFFAOYSA-N 0 1 220.276 2.034 20 0 BEADMN CC(C)N1N=C(c2cccc(N)c2)CC1=O ZINC001245948749 987222693 /nfs/dbraw/zinc/22/26/93/987222693.db2.gz LQTJOUBMXYTGBT-UHFFFAOYSA-N 0 1 217.272 2.419 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1CC(F)(F)F ZINC001245953608 987239802 /nfs/dbraw/zinc/23/98/02/987239802.db2.gz SASNBHBREPTFMP-UHFFFAOYSA-N 0 1 220.194 2.104 20 0 BEADMN Cc1cccc(CN2CC[C@@H](F)[C@@H](O)C2)c1F ZINC001137672524 987343601 /nfs/dbraw/zinc/34/36/01/987343601.db2.gz KUZUQACQDFBNHQ-NEPJUHHUSA-N 0 1 241.281 2.039 20 0 BEADMN COc1nscc1CN1C[C@H](C)[C@@H](C)C1 ZINC001473184374 987363340 /nfs/dbraw/zinc/36/33/40/987363340.db2.gz JLKLVPRMNZIJIY-IUCAKERBSA-N 0 1 226.345 2.240 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000699719926 987380967 /nfs/dbraw/zinc/38/09/67/987380967.db2.gz DYDKGBACJNFBNN-AEJSXWLSSA-N 0 1 249.301 2.463 20 0 BEADMN CC(C)n1cc([C@@H](C)NCc2cnn(C)c2)cn1 ZINC001473357344 987404990 /nfs/dbraw/zinc/40/49/90/987404990.db2.gz HOHUXBLITATCCE-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CC=CCC2)n1 ZINC001115921774 987413809 /nfs/dbraw/zinc/41/38/09/987413809.db2.gz DHJLJOVNQHQCAC-VIFPVBQESA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC001115921774 987413813 /nfs/dbraw/zinc/41/38/13/987413813.db2.gz DHJLJOVNQHQCAC-VIFPVBQESA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)N(CCc1ccccc1)C(=O)CN(C)C ZINC001115964214 987419907 /nfs/dbraw/zinc/41/99/07/987419907.db2.gz NVWAMGIMJAKWHB-UHFFFAOYSA-N 0 1 248.370 2.028 20 0 BEADMN CC[C@H]1CCN(Cc2nn(CC)nc2C)[C@@H]1C ZINC001473402558 987422219 /nfs/dbraw/zinc/42/22/19/987422219.db2.gz KYTHNGPSSILQOL-NEPJUHHUSA-N 0 1 236.363 2.227 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC1=NOCC1 ZINC001473438728 987435547 /nfs/dbraw/zinc/43/55/47/987435547.db2.gz QUZPWKAHPVBQRZ-APPZFPTMSA-N 0 1 236.237 2.035 20 0 BEADMN CC[C@H]1COCCN1CCc1ccc(F)cc1 ZINC001116501800 987609326 /nfs/dbraw/zinc/60/93/26/987609326.db2.gz KETYRCLOZYEIHW-AWEZNQCLSA-N 0 1 237.318 2.479 20 0 BEADMN Cc1cc(CNc2cccc3[nH]nnc32)sn1 ZINC001474151056 987650295 /nfs/dbraw/zinc/65/02/95/987650295.db2.gz AZWDVRVPJBHKPW-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN C[C@@H]1CCC[C@@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246254973 987653796 /nfs/dbraw/zinc/65/37/96/987653796.db2.gz TXFSCKGYKUMFPR-RKDXNWHRSA-N 0 1 236.281 2.059 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116745074 987691477 /nfs/dbraw/zinc/69/14/77/987691477.db2.gz AKFOIHPTFLPAQF-MRVPVSSYSA-N 0 1 224.308 2.303 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116745074 987691487 /nfs/dbraw/zinc/69/14/87/987691487.db2.gz AKFOIHPTFLPAQF-MRVPVSSYSA-N 0 1 224.308 2.303 20 0 BEADMN C[C@H]1CCCN1Cc1cn(C2CC2)cn1 ZINC001474380734 987702888 /nfs/dbraw/zinc/70/28/88/987702888.db2.gz AIMOBAWSBNTJGB-JTQLQIEISA-N 0 1 205.305 2.202 20 0 BEADMN C[C@@H](COCC1CC1)NCc1ncccc1F ZINC001474612967 987776349 /nfs/dbraw/zinc/77/63/49/987776349.db2.gz DOHSNVFLXVIMRP-JTQLQIEISA-N 0 1 238.306 2.125 20 0 BEADMN FC(F)(F)c1n[n-]c(C[NH2+]C2CCCCC2)n1 ZINC001474762210 987807866 /nfs/dbraw/zinc/80/78/66/987807866.db2.gz IXMMOHHWTKQVMP-UHFFFAOYSA-N 0 1 248.252 2.246 20 0 BEADMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1nc(C(F)(F)F)n[n-]1 ZINC001474724358 987811438 /nfs/dbraw/zinc/81/14/38/987811438.db2.gz PUPGCWBQXZUFFT-VQVTYTSYSA-N 0 1 248.252 2.130 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001594874362 987871789 /nfs/dbraw/zinc/87/17/89/987871789.db2.gz CBELPVRWKNZGTR-JQWIXIFHSA-N 0 1 236.315 2.013 20 0 BEADMN CS[C@@H]1CC[C@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC001321560209 987940793 /nfs/dbraw/zinc/94/07/93/987940793.db2.gz YBWZRPHOBYYXTF-WDEREUQCSA-N 0 1 225.361 2.126 20 0 BEADMN CCC=C(C)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001321581748 987946176 /nfs/dbraw/zinc/94/61/76/987946176.db2.gz WSCRXRZUCJGBPH-VURMDHGXSA-N 0 1 222.292 2.223 20 0 BEADMN CC/C=C(/C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001321581748 987946186 /nfs/dbraw/zinc/94/61/86/987946186.db2.gz WSCRXRZUCJGBPH-VURMDHGXSA-N 0 1 222.292 2.223 20 0 BEADMN O=C([O-])CCC[N@H+]1CC=CC12CCCCC2 ZINC001595048109 988084028 /nfs/dbraw/zinc/08/40/28/988084028.db2.gz HZNMWFWFKKEAFW-UHFFFAOYSA-N 0 1 223.316 2.426 20 0 BEADMN CCCC(=O)NC1CN(CCC2CCCC2)C1 ZINC001494334001 988126683 /nfs/dbraw/zinc/12/66/83/988126683.db2.gz SMRPYZOOSSMBIX-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cc(C[N@@H+]2CCC23CCCC3)n[nH]1 ZINC001118246676 988150001 /nfs/dbraw/zinc/15/00/01/988150001.db2.gz SVDPVATWLXEOMN-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN Cc1cc(C[N@H+]2CCC23CCCC3)n[nH]1 ZINC001118246676 988150021 /nfs/dbraw/zinc/15/00/21/988150021.db2.gz SVDPVATWLXEOMN-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001494648140 988173098 /nfs/dbraw/zinc/17/30/98/988173098.db2.gz MNPDHYHGXFYAIK-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN c1nonc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001118492609 988386630 /nfs/dbraw/zinc/38/66/30/988386630.db2.gz NAVKFEGNIYOZAE-MNOVXSKESA-N 0 1 221.304 2.082 20 0 BEADMN Cc1cccc(NC[C@@H]2CCCN2CCF)n1 ZINC001322863163 988390024 /nfs/dbraw/zinc/39/00/24/988390024.db2.gz SGAAFLCBAZNZEW-LBPRGKRZSA-N 0 1 237.322 2.236 20 0 BEADMN CCc1cccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001597586763 988406329 /nfs/dbraw/zinc/40/63/29/988406329.db2.gz JRNABIKKAQUVBM-WDNDVIMCSA-N 0 1 245.322 2.011 20 0 BEADMN c1nnc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)[n-]1 ZINC001118557056 988428909 /nfs/dbraw/zinc/42/89/09/988428909.db2.gz BEEXQDRLLQTRFW-GFCCVEGCSA-N 0 1 234.347 2.349 20 0 BEADMN c1nnc(C[N@H+]2CCC[C@@H]2C2CCCCC2)[n-]1 ZINC001118557056 988428920 /nfs/dbraw/zinc/42/89/20/988428920.db2.gz BEEXQDRLLQTRFW-GFCCVEGCSA-N 0 1 234.347 2.349 20 0 BEADMN CCCCC(=O)N[C@H](C)CN(C)C[C@@H](F)CC ZINC001498227043 988468127 /nfs/dbraw/zinc/46/81/27/988468127.db2.gz KNYHDAQCRBJWOV-NEPJUHHUSA-N 0 1 246.370 2.361 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001323288099 988487192 /nfs/dbraw/zinc/48/71/92/988487192.db2.gz XLNVDOBQWFHGBD-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCCN1CC[C@@H]1CNC(=O)C(F)F ZINC001498912095 988506196 /nfs/dbraw/zinc/50/61/96/988506196.db2.gz HTWASIODLSFVER-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H](N)[C@@H](F)C1 ZINC001246822269 988510405 /nfs/dbraw/zinc/51/04/05/988510405.db2.gz XACRRTQRKMJJFL-MROQNXINSA-N 0 1 230.371 2.428 20 0 BEADMN CC[C@@H](C)CN1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001499631743 988551408 /nfs/dbraw/zinc/55/14/08/988551408.db2.gz JYLPRDWSTJMCNE-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CCCC1CCN(Cc2n[nH]c(C)n2)CC1 ZINC001324102918 988701942 /nfs/dbraw/zinc/70/19/42/988701942.db2.gz UHPQYGUULOIKHX-UHFFFAOYSA-N 0 1 222.336 2.125 20 0 BEADMN C[C@@H](N[C@H](CF)c1ccc(F)cc1)[C@H](C)O ZINC001119067500 988828815 /nfs/dbraw/zinc/82/88/15/988828815.db2.gz JPJFMPFHPXSJPH-VDDIYKPWSA-N 0 1 229.270 2.195 20 0 BEADMN Cc1cc(F)cc2[nH]c(CCCCO)nc21 ZINC001247006270 988836629 /nfs/dbraw/zinc/83/66/29/988836629.db2.gz AJNJIGYTSTYBRX-UHFFFAOYSA-N 0 1 222.263 2.325 20 0 BEADMN NCc1nc2c(cccc2C(F)(F)F)[nH]1 ZINC001247011150 988838985 /nfs/dbraw/zinc/83/89/85/988838985.db2.gz MKAHRKAIUTZRDE-UHFFFAOYSA-N 0 1 215.178 2.040 20 0 BEADMN OCCCc1nc2ccc3ncccc3c2[nH]1 ZINC001247014254 988840198 /nfs/dbraw/zinc/84/01/98/988840198.db2.gz HNEPKXJEUVVKKW-UHFFFAOYSA-N 0 1 227.267 2.036 20 0 BEADMN CCCCc1ccc2nc(CO)[nH]c2c1 ZINC001247011384 988840803 /nfs/dbraw/zinc/84/08/03/988840803.db2.gz ISGQJESCCHHUBX-UHFFFAOYSA-N 0 1 204.273 2.398 20 0 BEADMN Clc1ccc(CN[C@H]2C=CCCC2)nn1 ZINC001119241919 988849755 /nfs/dbraw/zinc/84/97/55/988849755.db2.gz PEAIOBUIRAABKN-VIFPVBQESA-N 0 1 223.707 2.328 20 0 BEADMN Cc1cc(F)ccc1-c1noc(C2CN(C)C2)n1 ZINC001247372530 988861429 /nfs/dbraw/zinc/86/14/29/988861429.db2.gz JWARKRHXYVTZHH-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN CNCc1nc(-c2ccc3ccncc3c2)no1 ZINC001247432368 988886134 /nfs/dbraw/zinc/88/61/34/988886134.db2.gz YCYXAKZMTJHVBK-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2N(C)C)no1 ZINC001247490954 988896152 /nfs/dbraw/zinc/89/61/52/988896152.db2.gz WQLHWWVINKVDQV-SECBINFHSA-N 0 1 246.314 2.083 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@H+](CC)C(C)(C)C)n1 ZINC001324693451 988933565 /nfs/dbraw/zinc/93/35/65/988933565.db2.gz PYSMGSTWCQIUJQ-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)C(C)(C)C)n1 ZINC001324693451 988933570 /nfs/dbraw/zinc/93/35/70/988933570.db2.gz PYSMGSTWCQIUJQ-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)C(C)(C)C)n1 ZINC001324693451 988933580 /nfs/dbraw/zinc/93/35/80/988933580.db2.gz PYSMGSTWCQIUJQ-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN C[C@@]1(c2ccccc2)CCCN1Cc1nnc[nH]1 ZINC001119325537 988948706 /nfs/dbraw/zinc/94/87/06/988948706.db2.gz NKCNQHLNQKKNTQ-AWEZNQCLSA-N 0 1 242.326 2.316 20 0 BEADMN Fc1cccc(-c2noc([C@@H]3CCN3)n2)c1F ZINC001247677485 988975810 /nfs/dbraw/zinc/97/58/10/988975810.db2.gz ZXQVQVUMLZUKHX-QMMMGPOBSA-N 0 1 237.209 2.049 20 0 BEADMN Cc1ccc(F)c(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247676383 988976564 /nfs/dbraw/zinc/97/65/64/988976564.db2.gz FFZJBVYFZBJEDC-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN COc1cc(C)cc(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247676233 988981903 /nfs/dbraw/zinc/98/19/03/988981903.db2.gz AUEMNCLOUPMEHV-NSHDSACASA-N 0 1 245.282 2.088 20 0 BEADMN Cc1cc(COC(=O)c2[nH]cnc2C)cs1 ZINC001515108222 988988486 /nfs/dbraw/zinc/98/84/86/988988486.db2.gz FFMALKUOSHZVIX-UHFFFAOYSA-N 0 1 236.296 2.445 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CC[C@H]1C(C)(C)C ZINC001515114248 988990341 /nfs/dbraw/zinc/99/03/41/988990341.db2.gz LXWFCPFTQKLUTQ-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN F[C@@H]1CNC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC001247783394 989020670 /nfs/dbraw/zinc/02/06/70/989020670.db2.gz IZXKYXNFCPVNFX-MNOVXSKESA-N 0 1 247.273 2.152 20 0 BEADMN CN[C@@H](c1nc(-c2ccncc2C)no1)C(C)C ZINC001248205868 989080784 /nfs/dbraw/zinc/08/07/84/989080784.db2.gz OCAODJDPERHMNP-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@@H](c1nc(-c2ccccn2)no1)C(C)C ZINC001248206329 989081433 /nfs/dbraw/zinc/08/14/33/989081433.db2.gz STMINXRRJJBKOL-SNVBAGLBSA-N 0 1 232.287 2.048 20 0 BEADMN CN[C@@H](c1nc(-c2cc(C)ccn2)no1)C(C)C ZINC001248205466 989083375 /nfs/dbraw/zinc/08/33/75/989083375.db2.gz GVYPCJLPMHHNEN-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@@H](c1nc(-c2ncccc2C)no1)C(C)C ZINC001248206561 989083965 /nfs/dbraw/zinc/08/39/65/989083965.db2.gz WWMMSFCIEGQGNK-SNVBAGLBSA-N 0 1 246.314 2.357 20 0 BEADMN COc1cc(C)cc(-c2noc([C@H]3CCN3)n2)c1 ZINC001248284684 989085482 /nfs/dbraw/zinc/08/54/82/989085482.db2.gz AUEMNCLOUPMEHV-LLVKDONJSA-N 0 1 245.282 2.088 20 0 BEADMN Fc1ccccc1-c1noc([C@@H]2C=CCN2)n1 ZINC001248227132 989085982 /nfs/dbraw/zinc/08/59/82/989085982.db2.gz BDBMDFORSPPGQJ-JTQLQIEISA-N 0 1 231.230 2.076 20 0 BEADMN Cc1cc(CNCc2cccn2C2CC2)[nH]n1 ZINC001325118303 989091280 /nfs/dbraw/zinc/09/12/80/989091280.db2.gz VKKGHZNKQQSXMK-UHFFFAOYSA-N 0 1 230.315 2.144 20 0 BEADMN COc1c(C)cccc1Nc1nnco1 ZINC001248514103 989110786 /nfs/dbraw/zinc/11/07/86/989110786.db2.gz QVYJSGUSFFOBLL-UHFFFAOYSA-N 0 1 205.217 2.130 20 0 BEADMN COCC1CN(Cc2ccc3onc(C)c3c2)C1 ZINC001248687066 989125472 /nfs/dbraw/zinc/12/54/72/989125472.db2.gz HCVXARCRHWCFFP-UHFFFAOYSA-N 0 1 246.310 2.214 20 0 BEADMN Cc1ncn(C)c1Nc1cc2cccnc2[nH]1 ZINC001248706647 989132482 /nfs/dbraw/zinc/13/24/82/989132482.db2.gz CDJRZGOSQKQYJU-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ccccc1-c1noc([C@@]2(C)CCN2)n1 ZINC001248722588 989137289 /nfs/dbraw/zinc/13/72/89/989137289.db2.gz ZJLQZAAOFIVCNC-CYBMUJFWSA-N 0 1 229.283 2.254 20 0 BEADMN C[C@]1(c2nc(-c3ccc(F)cc3)no2)CCN1 ZINC001248725491 989137786 /nfs/dbraw/zinc/13/77/86/989137786.db2.gz FQSYPTDXSOCHIE-GFCCVEGCSA-N 0 1 233.246 2.084 20 0 BEADMN CN(C(=O)c1cccc(F)c1O)c1ccccn1 ZINC001516167270 989142151 /nfs/dbraw/zinc/14/21/51/989142151.db2.gz ZCOAJFVOIIFWSA-UHFFFAOYSA-N 0 1 246.241 2.203 20 0 BEADMN CCN(Cc1csc(C)c1)C1CN(C)C1 ZINC001248804222 989149295 /nfs/dbraw/zinc/14/92/95/989149295.db2.gz SYWIIBLDFSETQT-UHFFFAOYSA-N 0 1 224.373 2.192 20 0 BEADMN C=C/C=C\CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001602717749 989169692 /nfs/dbraw/zinc/16/96/92/989169692.db2.gz ZSEJESAXALPGEF-XLMCQVRKSA-N 0 1 223.316 2.446 20 0 BEADMN F[C@@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@@H]2C[C@@H]21 ZINC001248822038 989183237 /nfs/dbraw/zinc/18/32/37/989183237.db2.gz XBMBJKMCBDFTEW-LEWSCRJBSA-N 0 1 234.318 2.224 20 0 BEADMN F[C@@H]1CN(Cc2ccc3n2CCC3)C[C@@H]2C[C@@H]21 ZINC001248822038 989183241 /nfs/dbraw/zinc/18/32/41/989183241.db2.gz XBMBJKMCBDFTEW-LEWSCRJBSA-N 0 1 234.318 2.224 20 0 BEADMN c1cc(CN2CC[C@]23CCOC3)n(C2CC2)c1 ZINC001325430265 989187796 /nfs/dbraw/zinc/18/77/96/989187796.db2.gz CBUXGOLJVHUDDH-CQSZACIVSA-N 0 1 232.327 2.188 20 0 BEADMN Cc1ccc2nc(CN(C)C3CC3)[nH]c2c1 ZINC001248839817 989190678 /nfs/dbraw/zinc/19/06/78/989190678.db2.gz YXKLZYWAJCSNQA-UHFFFAOYSA-N 0 1 215.300 2.466 20 0 BEADMN Cc1nonc1CN1CC2CCC(CC2)C1 ZINC001248859676 989204407 /nfs/dbraw/zinc/20/44/07/989204407.db2.gz NLLNUGWHKZBAKI-UHFFFAOYSA-N 0 1 221.304 2.000 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001325599374 989209259 /nfs/dbraw/zinc/20/92/59/989209259.db2.gz GOZJXYOFQJMWTC-GFCCVEGCSA-N 0 1 233.359 2.380 20 0 BEADMN Cc1cc(C)nc(CN(C)CC(C)C)n1 ZINC001248932948 989220992 /nfs/dbraw/zinc/22/09/92/989220992.db2.gz KVKMMLHPTVQACO-UHFFFAOYSA-N 0 1 207.321 2.181 20 0 BEADMN Cc1cn[nH]c1CSCCOCC1CC1 ZINC001119603363 989223950 /nfs/dbraw/zinc/22/39/50/989223950.db2.gz QMYZYZCKODIDSN-UHFFFAOYSA-N 0 1 226.345 2.378 20 0 BEADMN CC(C)c1cccc(COCc2nn[nH]n2)c1 ZINC001119607025 989232685 /nfs/dbraw/zinc/23/26/85/989232685.db2.gz RGJMBANUTTTXEM-UHFFFAOYSA-N 0 1 232.287 2.040 20 0 BEADMN CN[C@H](c1nc(-c2cncc(C)c2)no1)C(C)C ZINC001249000361 989239242 /nfs/dbraw/zinc/23/92/42/989239242.db2.gz UHQMFIGBAXFWBY-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@H](c1nc(-c2ccncc2C)no1)C(C)C ZINC001249000013 989241780 /nfs/dbraw/zinc/24/17/80/989241780.db2.gz OCAODJDPERHMNP-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(F)CCCC2)n1 ZINC001325742959 989247555 /nfs/dbraw/zinc/24/75/55/989247555.db2.gz AQQMGXIUETYOMS-UHFFFAOYSA-N 0 1 240.282 2.149 20 0 BEADMN CC(C)c1nc(NC(=O)C2(F)CCCC2)n[nH]1 ZINC001325742959 989247563 /nfs/dbraw/zinc/24/75/63/989247563.db2.gz AQQMGXIUETYOMS-UHFFFAOYSA-N 0 1 240.282 2.149 20 0 BEADMN Cc1cncc(-c2noc([C@@](C)(N)C(C)C)n2)c1 ZINC001249280249 989269643 /nfs/dbraw/zinc/26/96/43/989269643.db2.gz SGCLRPYCROPPGI-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN CC(C)C[C@@](C)(N)c1nc(-c2ccncc2)no1 ZINC001249285621 989269818 /nfs/dbraw/zinc/26/98/18/989269818.db2.gz QMEQIHLFNFLBFE-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1cc(-c2noc([C@](C)(N)C(C)C)n2)ccn1 ZINC001249280409 989270998 /nfs/dbraw/zinc/27/09/98/989270998.db2.gz DBXPVWWIOSXWIO-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1cccnc1-c1noc([C@@](C)(N)C(C)C)n1 ZINC001249279781 989271141 /nfs/dbraw/zinc/27/11/41/989271141.db2.gz HCAYMEZCBAKPDB-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN COCCN(C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249476626 989288684 /nfs/dbraw/zinc/28/86/84/989288684.db2.gz ZSNPTJDADBQSMQ-UHFFFAOYSA-N 0 1 224.348 2.390 20 0 BEADMN Cc1cc(CNc2cnc3onc(C)c3c2)n[nH]1 ZINC001325941611 989312080 /nfs/dbraw/zinc/31/20/80/989312080.db2.gz CIXVVUDURINNQS-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2C(C)(C)O)ns1 ZINC001249588654 989318317 /nfs/dbraw/zinc/31/83/17/989318317.db2.gz KXWIIGQDWSUZOY-LLVKDONJSA-N 0 1 240.372 2.187 20 0 BEADMN CC(C)OC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC001326007947 989327840 /nfs/dbraw/zinc/32/78/40/989327840.db2.gz NPUFFZCXFSELAB-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN CCc1oc(C[NH+]2CC3(CC3)C2)cc1C(=O)[O-] ZINC001597796733 989356077 /nfs/dbraw/zinc/35/60/77/989356077.db2.gz PUOGTGKPRPBUFR-UHFFFAOYSA-N 0 1 235.283 2.136 20 0 BEADMN Cc1noc([C@H](C)NCCCc2cccnc2)n1 ZINC001119732584 989375645 /nfs/dbraw/zinc/37/56/45/989375645.db2.gz NMGIUCYPKVEARB-JTQLQIEISA-N 0 1 246.314 2.056 20 0 BEADMN C=C/C=C\CCOC(=O)CCCCc1cn[nH]n1 ZINC001519423984 989411751 /nfs/dbraw/zinc/41/17/51/989411751.db2.gz JQMOMVBOXOOLKD-ARJAWSKDSA-N 0 1 249.314 2.193 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC001603503245 989422432 /nfs/dbraw/zinc/42/24/32/989422432.db2.gz AGZOMKSKMPBVNR-NEPJUHHUSA-N 0 1 248.326 2.328 20 0 BEADMN CC[C@@H](OC(=O)c1[nH]cnc1C)C(C)C ZINC001519532704 989425442 /nfs/dbraw/zinc/42/54/42/989425442.db2.gz VWYCTHMHZGERKU-SECBINFHSA-N 0 1 210.277 2.310 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001519560547 989429070 /nfs/dbraw/zinc/42/90/70/989429070.db2.gz OYTZLQAAYGZVMF-WDSKDSINSA-N 0 1 248.204 2.128 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(C(C)=O)cc1 ZINC001119880846 989452215 /nfs/dbraw/zinc/45/22/15/989452215.db2.gz LNRAYHXSUUWMBV-GJZGRUSLSA-N 0 1 247.338 2.498 20 0 BEADMN COC(=O)c1occc1CNCCCC(F)F ZINC001119977875 989535068 /nfs/dbraw/zinc/53/50/68/989535068.db2.gz ULZVKMIGNFMXNO-UHFFFAOYSA-N 0 1 247.241 2.201 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC[C@H](F)C2)s1 ZINC001120057753 989582284 /nfs/dbraw/zinc/58/22/84/989582284.db2.gz JKLYPFIURIGZHQ-DTWKUNHWSA-N 0 1 243.351 2.471 20 0 BEADMN CCC[C@H]([NH2+]Cc1ccc(OCC)o1)C(=O)[O-] ZINC001120087448 989598325 /nfs/dbraw/zinc/59/83/25/989598325.db2.gz IYZBVYBPZICVKC-JTQLQIEISA-N 0 1 241.287 2.021 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001120362729 989640459 /nfs/dbraw/zinc/64/04/59/989640459.db2.gz MIDLVMNJKJSDFD-MROQNXINSA-N 0 1 237.343 2.219 20 0 BEADMN Cc1cc(CN(C)C2CC(C)(C)C2)[nH]n1 ZINC001326799055 989718470 /nfs/dbraw/zinc/71/84/70/989718470.db2.gz YHXCEFRATQOSLF-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1(C)CC1 ZINC001120728226 989851661 /nfs/dbraw/zinc/85/16/61/989851661.db2.gz WPRIQTANWUYTSB-QWRGUYRKSA-N 0 1 238.375 2.164 20 0 BEADMN CC1(C)CCC(Nc2nccnc2CN)CC1 ZINC001120818774 989899673 /nfs/dbraw/zinc/89/96/73/989899673.db2.gz XYXJRSBHKQLGQW-UHFFFAOYSA-N 0 1 234.347 2.316 20 0 BEADMN COc1cccnc1N[C@@H](C)Cc1cc(C)n[nH]1 ZINC001120827272 989907155 /nfs/dbraw/zinc/90/71/55/989907155.db2.gz IIUUELOTNLCQKF-VIFPVBQESA-N 0 1 246.314 2.165 20 0 BEADMN CC1(C)C[C@@H](Nc2ccnc(N)n2)CCS1 ZINC001120965424 989990217 /nfs/dbraw/zinc/99/02/17/989990217.db2.gz JQKMJXWTAYMQLX-QMMMGPOBSA-N 0 1 238.360 2.145 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1nnc[nH]1 ZINC001526292689 990123930 /nfs/dbraw/zinc/12/39/30/990123930.db2.gz JZGYTUNHVWNWHD-XWLWVQCSSA-N 0 1 249.314 2.235 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@](F)(C(=O)[O-])C1)C1CC1 ZINC001590671190 990381175 /nfs/dbraw/zinc/38/11/75/990381175.db2.gz WNGGKCVHXVDVTH-CYBMUJFWSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(F)cc1C ZINC001540455273 990620691 /nfs/dbraw/zinc/62/06/91/990620691.db2.gz YMBJROORMNSMON-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN O=C(NCc1ccoc1)c1cccc2nc[nH]c21 ZINC001542397833 990664906 /nfs/dbraw/zinc/66/49/06/990664906.db2.gz QPGUXHTYJIPQGC-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN CC(=Cc1ccco1)C(=O)NCc1cn[nH]c1C ZINC001543566014 990697148 /nfs/dbraw/zinc/69/71/48/990697148.db2.gz QCYDRVPLNYCPFV-TWGQIWQCSA-N 0 1 245.282 2.031 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001548816877 990787950 /nfs/dbraw/zinc/78/79/50/990787950.db2.gz HOAIOGFGOYRZNN-GXFFZTMASA-N 0 1 235.331 2.079 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1C ZINC001548815358 990789143 /nfs/dbraw/zinc/78/91/43/990789143.db2.gz SUGRQYAQTRUIAO-GNXNZQSNSA-N 0 1 247.342 2.079 20 0 BEADMN CC(C)=CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001556198632 990810070 /nfs/dbraw/zinc/81/00/70/990810070.db2.gz LTIQMOZSLQDERG-JTQLQIEISA-N 0 1 247.342 2.231 20 0 BEADMN Fc1ccc(C[N@H+]2CCc3cnccc3C2)cn1 ZINC001137735462 990845472 /nfs/dbraw/zinc/84/54/72/990845472.db2.gz XETWVWTUVVFMSJ-UHFFFAOYSA-N 0 1 243.285 2.174 20 0 BEADMN Fc1ccc(CN2CCc3cnccc3C2)cn1 ZINC001137735462 990845478 /nfs/dbraw/zinc/84/54/78/990845478.db2.gz XETWVWTUVVFMSJ-UHFFFAOYSA-N 0 1 243.285 2.174 20 0 BEADMN CC/C=C/CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC001556772761 990852285 /nfs/dbraw/zinc/85/22/85/990852285.db2.gz MIRYOEVRRAAITM-ONEGZZNKSA-N 0 1 247.273 2.398 20 0 BEADMN Cc1ccc(C)c([C@@H](C)NC(=O)CN(C)C)c1 ZINC001137947907 990871229 /nfs/dbraw/zinc/87/12/29/990871229.db2.gz AGQRLADTPVERGA-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN c1cnc2ccc(CN3CC4(COC4)C3)cc2c1 ZINC001138103514 990882396 /nfs/dbraw/zinc/88/23/96/990882396.db2.gz FEDOMHVISVFNOO-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN C[C@@H](CNC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001138106676 990883634 /nfs/dbraw/zinc/88/36/34/990883634.db2.gz VOBSPLMCNDXVCF-VIFPVBQESA-N 0 1 247.273 2.082 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1cc(F)cc2nc[nH]c21 ZINC001557400679 990888674 /nfs/dbraw/zinc/88/86/74/990888674.db2.gz UCMZURYNKGRRKM-VIFPVBQESA-N 0 1 245.257 2.150 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)CC2(C)C)n[nH]1 ZINC001558126001 990922550 /nfs/dbraw/zinc/92/25/50/990922550.db2.gz CXCNHCGOSYXCSM-SNVBAGLBSA-N 0 1 249.358 2.298 20 0 BEADMN Cn1c2ccccc2nc1CN1CC2CC(C2)C1 ZINC001138380865 990925659 /nfs/dbraw/zinc/92/56/59/990925659.db2.gz DTTKRRHRXYLVKS-UHFFFAOYSA-N 0 1 241.338 2.415 20 0 BEADMN CC1CC([N@H+](C)Cc2ncccc2[O-])C1 ZINC001138391683 990931477 /nfs/dbraw/zinc/93/14/77/990931477.db2.gz SMFZLWDHWSIRTM-UHFFFAOYSA-N 0 1 206.289 2.018 20 0 BEADMN CC1CC([N@@H+](C)Cc2ncccc2[O-])C1 ZINC001138391683 990931484 /nfs/dbraw/zinc/93/14/84/990931484.db2.gz SMFZLWDHWSIRTM-UHFFFAOYSA-N 0 1 206.289 2.018 20 0 BEADMN CCc1ncc(CNC(=O)c2sccc2C)[nH]1 ZINC001558494064 990948548 /nfs/dbraw/zinc/94/85/48/990948548.db2.gz FLSHGDPAPMWGAW-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CCc1ncc(CNC(=O)C(CC)CC)[nH]1 ZINC001558497302 990950307 /nfs/dbraw/zinc/95/03/07/990950307.db2.gz JGJGQONTVAKKAB-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CCO[C@H](CO)C1 ZINC001258062681 990957015 /nfs/dbraw/zinc/95/70/15/990957015.db2.gz LFLTUSBUQNSEAH-IHRRRGAJSA-N 0 1 243.391 2.140 20 0 BEADMN CC(C)C[C@@H](C)C[C@H](C)N1CCN(C)C(=O)C1 ZINC001258065184 990961749 /nfs/dbraw/zinc/96/17/49/990961749.db2.gz UUNMRCODJWUNAP-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CSCCCc1nc([C@H](N)C(C)C)no1 ZINC000401472021 990967333 /nfs/dbraw/zinc/96/73/33/990967333.db2.gz INLVZOZYVAEKIP-SECBINFHSA-N 0 1 229.349 2.021 20 0 BEADMN C/C(Cl)=C\C(=O)Nc1ccc2cncn2c1 ZINC001558590346 990970353 /nfs/dbraw/zinc/97/03/53/990970353.db2.gz IUQPKBPUCNSOGX-XBXARRHUSA-N 0 1 235.674 2.415 20 0 BEADMN CC1(C)C[C@@H]1C(=O)Nc1ccc2cncn2c1 ZINC001558590444 990975089 /nfs/dbraw/zinc/97/50/89/990975089.db2.gz MGZCBOZWULRTHV-LLVKDONJSA-N 0 1 229.283 2.319 20 0 BEADMN C=C/C=C/CC(=O)Nc1ccc2cncn2c1 ZINC001558590640 990975174 /nfs/dbraw/zinc/97/51/74/990975174.db2.gz UTKGBISPKGRQBW-ONEGZZNKSA-N 0 1 227.267 2.405 20 0 BEADMN C1=CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC001138598095 990979216 /nfs/dbraw/zinc/97/92/16/990979216.db2.gz JMVSOJOMBVLVBR-UHFFFAOYSA-N 0 1 225.295 2.244 20 0 BEADMN CC1(C)C(C)(C)C1(C)NC(=O)c1[nH]ncc1F ZINC001558692700 990984257 /nfs/dbraw/zinc/98/42/57/990984257.db2.gz UXENULDRFQORMN-UHFFFAOYSA-N 0 1 239.294 2.103 20 0 BEADMN CN(C)c1nc(NC2CCC(C)(C)CC2)n[nH]1 ZINC001308398501 990984918 /nfs/dbraw/zinc/98/49/18/990984918.db2.gz OPLZXZSPEOVPPI-UHFFFAOYSA-N 0 1 237.351 2.251 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC[C@H](F)C2)n1 ZINC001308448103 990995460 /nfs/dbraw/zinc/99/54/60/990995460.db2.gz WYZBGGVMCYQXLP-DTWKUNHWSA-N 0 1 245.729 2.444 20 0 BEADMN CC(C)=CCC[C@H](C)N1CC(N(C)C(C)=O)C1 ZINC001258099782 991011656 /nfs/dbraw/zinc/01/16/56/991011656.db2.gz RGBZBGNVUUIVIH-LBPRGKRZSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(SC)nc2)C1 ZINC001138708433 991014736 /nfs/dbraw/zinc/01/47/36/991014736.db2.gz LGXZJQPXWIRKGM-SNVBAGLBSA-N 0 1 237.372 2.430 20 0 BEADMN CSc1ncc(CN2C[C@H]3CC[C@@H]2C3)cn1 ZINC001138709877 991014871 /nfs/dbraw/zinc/01/48/71/991014871.db2.gz SGRLKRCMRSAFBY-GXSJLCMTSA-N 0 1 235.356 2.183 20 0 BEADMN F[C@H]1CN(Cc2cnc3[nH]ccc3c2)C[C@@H]2C[C@@H]21 ZINC001138744933 991027701 /nfs/dbraw/zinc/02/77/01/991027701.db2.gz ZDNVZXSGUWFKOA-AVGNSLFASA-N 0 1 245.301 2.353 20 0 BEADMN CC(C)N(C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138773470 991037432 /nfs/dbraw/zinc/03/74/32/991037432.db2.gz FVHDNHIMHJBUQX-ZDUSSCGKSA-N 0 1 237.347 2.422 20 0 BEADMN c1cc(CN2CCCC2)n([C@H]2CCCCO2)n1 ZINC001138774094 991041385 /nfs/dbraw/zinc/04/13/85/991041385.db2.gz YHZXARDUNAPGHV-CYBMUJFWSA-N 0 1 235.331 2.178 20 0 BEADMN C[C@@H]1CC(N2CCNCC(F)(F)C2)C[C@@H](C)C1 ZINC001258160176 991048439 /nfs/dbraw/zinc/04/84/39/991048439.db2.gz QNEZQOIUVWMRGC-QWRGUYRKSA-N 0 1 246.345 2.352 20 0 BEADMN CO[C@H]1CCCN(Cc2cccnc2F)CC1 ZINC001138787897 991050596 /nfs/dbraw/zinc/05/05/96/991050596.db2.gz PPFPMEKFULQYTD-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@@H]1CCN(Cc2cccnc2F)[C@@H](C)C1 ZINC001138791408 991050680 /nfs/dbraw/zinc/05/06/80/991050680.db2.gz CLTWMYPUBBOQJL-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN CCN(Cc1cccnc1F)C1CCOCC1 ZINC001138789397 991053299 /nfs/dbraw/zinc/05/32/99/991053299.db2.gz YXOYHZHWBVRNHD-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(CO)cs1 ZINC001308604991 991057569 /nfs/dbraw/zinc/05/75/69/991057569.db2.gz ZGTXFUZJGBDXKI-RKDXNWHRSA-N 0 1 226.345 2.008 20 0 BEADMN CCc1ncc(CNc2nc(C)nc(C)c2C)[nH]1 ZINC001559290434 991065638 /nfs/dbraw/zinc/06/56/38/991065638.db2.gz OQSYKYDQIFJVIN-UHFFFAOYSA-N 0 1 245.330 2.299 20 0 BEADMN CCn1ccc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC001308647964 991076887 /nfs/dbraw/zinc/07/68/87/991076887.db2.gz YZQGEAYWWQABHG-RYUDHWBXSA-N 0 1 221.348 2.381 20 0 BEADMN Cc1cc(CN(CC2CC2)C2CC2)nn1C ZINC001138832160 991085992 /nfs/dbraw/zinc/08/59/92/991085992.db2.gz LSHGDACULVKMSJ-UHFFFAOYSA-N 0 1 219.332 2.103 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCCC12COC2 ZINC001258191392 991100076 /nfs/dbraw/zinc/10/00/76/991100076.db2.gz BELITUGYCKOEDW-NSHDSACASA-N 0 1 221.300 2.075 20 0 BEADMN CCCn1cc(CN2CC[C@@H](CC)[C@@H]2C)nn1 ZINC001308702893 991100908 /nfs/dbraw/zinc/10/09/08/991100908.db2.gz DEEACJPNQTUWKG-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C)CC23CC3)n1 ZINC001138938262 991104955 /nfs/dbraw/zinc/10/49/55/991104955.db2.gz DTHAFQBBJMINKY-VIFPVBQESA-N 0 1 205.305 2.093 20 0 BEADMN CC[C@H]1COCCN1[C@@H](C)Cc1ccco1 ZINC001258194867 991107283 /nfs/dbraw/zinc/10/72/83/991107283.db2.gz LSNIWXHCYCKMDX-RYUDHWBXSA-N 0 1 223.316 2.321 20 0 BEADMN C[C@@H](Cc1ccco1)N(C1CC1)C1COC1 ZINC001258194447 991108032 /nfs/dbraw/zinc/10/80/32/991108032.db2.gz GYCBHQDKTOVCGU-JTQLQIEISA-N 0 1 221.300 2.074 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C)C[C@H]2C)n1 ZINC001138940203 991109325 /nfs/dbraw/zinc/10/93/25/991109325.db2.gz ANOVIIJKWBXUTK-GXSJLCMTSA-N 0 1 207.321 2.339 20 0 BEADMN CSCC[C@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001258208222 991128004 /nfs/dbraw/zinc/12/80/04/991128004.db2.gz LCLUTTONTHXYOG-DTWKUNHWSA-N 0 1 243.351 2.408 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CC(=O)N[C@@H](C)C2)C1 ZINC001308778317 991133393 /nfs/dbraw/zinc/13/33/93/991133393.db2.gz ILCKAKDNLFFSJB-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)N1CCN(CC2(C)CCCC2)CC1=O ZINC001308797799 991139484 /nfs/dbraw/zinc/13/94/84/991139484.db2.gz JIWYBZIHZXWOGM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC2(CCC2)C1 ZINC001139096714 991139923 /nfs/dbraw/zinc/13/99/23/991139923.db2.gz ZEOJJDVPBHJHEJ-UHFFFAOYSA-N 0 1 205.305 2.012 20 0 BEADMN COc1ccc(CN2CCCC23CC3)nc1OC ZINC001139100234 991140952 /nfs/dbraw/zinc/14/09/52/991140952.db2.gz URYOTRXCXNSTJR-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@H]1CCCOC1 ZINC001559737631 991234941 /nfs/dbraw/zinc/23/49/41/991234941.db2.gz KYSCITVGRLZAKI-UTLUCORTSA-N 0 1 241.360 2.004 20 0 BEADMN CSC(C)(C)C[C@@H](C)n1c(C)nnc1CN ZINC001258332893 991256921 /nfs/dbraw/zinc/25/69/21/991256921.db2.gz ZUDKLFGLODUMFK-MRVPVSSYSA-N 0 1 242.392 2.138 20 0 BEADMN COc1ccncc1CN1CC[C@](C)(CF)C1 ZINC001139606968 991283865 /nfs/dbraw/zinc/28/38/65/991283865.db2.gz WLCDFDNKNAHLTN-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN COc1ccncc1CN1CCC[C@H](F)CC1 ZINC001139606645 991285658 /nfs/dbraw/zinc/28/56/58/991285658.db2.gz KLACUJHOQUOXEL-LBPRGKRZSA-N 0 1 238.306 2.414 20 0 BEADMN Fc1ccccc1[C@@H]1CCN(CC2=NOCC2)C1 ZINC001559859537 991292295 /nfs/dbraw/zinc/29/22/95/991292295.db2.gz GBRDFWLDJXKJGM-LLVKDONJSA-N 0 1 248.301 2.391 20 0 BEADMN Cc1ccc2oc(NCCN3CC=CC3)nc2c1 ZINC001339878617 991298096 /nfs/dbraw/zinc/29/80/96/991298096.db2.gz AADLHHXIUVUSCP-UHFFFAOYSA-N 0 1 243.310 2.420 20 0 BEADMN CCOc1ccncc1CN(CC)C1CC1 ZINC001139627002 991303234 /nfs/dbraw/zinc/30/32/34/991303234.db2.gz BUXKYEKGHHMKFY-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cn2ccncc2n1 ZINC001139693224 991321455 /nfs/dbraw/zinc/32/14/55/991321455.db2.gz UVIOLRRBEFQNKL-RYUDHWBXSA-N 0 1 244.342 2.492 20 0 BEADMN C[C@H]1CCCN(Cc2cn3ccncc3n2)[C@H]1C ZINC001139697311 991323090 /nfs/dbraw/zinc/32/30/90/991323090.db2.gz YRAHFFSCGUTFCF-RYUDHWBXSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cn2ccncc2n1 ZINC001139697310 991325782 /nfs/dbraw/zinc/32/57/82/991325782.db2.gz YRAHFFSCGUTFCF-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN c1cc2n(n1)CCN(CCCC1CCC1)C2 ZINC001560026295 991363251 /nfs/dbraw/zinc/36/32/51/991363251.db2.gz PTILDFGNFUKOBW-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCN(Cc1ncc(C)s1)C1CCOCC1 ZINC001139810914 991376068 /nfs/dbraw/zinc/37/60/68/991376068.db2.gz YZPJRPTVTOXJRF-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN Fc1cc(CN2CCCC23CC3)ccn1 ZINC001139831093 991386470 /nfs/dbraw/zinc/38/64/70/991386470.db2.gz SGEOJNJLCSRWBU-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN CC(C)O[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC001139835245 991390293 /nfs/dbraw/zinc/39/02/93/991390293.db2.gz QPYVAJYCJJDAMP-GFCCVEGCSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1nc(C)c(CSCc2nnc[nH]2)s1 ZINC001328575110 991391786 /nfs/dbraw/zinc/39/17/86/991391786.db2.gz WSEIDIKFQQMWIG-UHFFFAOYSA-N 0 1 240.357 2.311 20 0 BEADMN CCCO[C@H]1CCN(Cc2ccc(C)cn2)C1 ZINC001139838793 991394886 /nfs/dbraw/zinc/39/48/86/991394886.db2.gz RTYQZIFDLJXJQF-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CSCCN(C)Cc1ccnc(F)c1 ZINC001139835525 991397123 /nfs/dbraw/zinc/39/71/23/991397123.db2.gz AISQRWYHZAFVEZ-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CCCC23CC3)n1 ZINC001328828934 991397842 /nfs/dbraw/zinc/39/78/42/991397842.db2.gz UCFPSBZHRJTSEO-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CCCC23CC3)n[nH]1 ZINC001328828934 991397847 /nfs/dbraw/zinc/39/78/47/991397847.db2.gz UCFPSBZHRJTSEO-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OC3CCC3)C2)n[nH]1 ZINC001329170666 991406959 /nfs/dbraw/zinc/40/69/59/991406959.db2.gz ZSQGXIRSXBAXEF-CQSZACIVSA-N 0 1 249.358 2.252 20 0 BEADMN Cn1cnnc1CN1CCC[C@H](C2CCCC2)C1 ZINC001560228233 991430086 /nfs/dbraw/zinc/43/00/86/991430086.db2.gz YXUKQECDBUQPPP-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN Cn1cc(CNCc2cccc3ccoc32)cn1 ZINC001560291583 991448952 /nfs/dbraw/zinc/44/89/52/991448952.db2.gz XLDOGWPJNISRCV-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CCOC(=O)CC[C@H](C)N1CCC[C@H](F)C1 ZINC001258494637 991465091 /nfs/dbraw/zinc/46/50/91/991465091.db2.gz KFRTZVVPKZLCBH-QWRGUYRKSA-N 0 1 231.311 2.152 20 0 BEADMN COCCN(C)Cc1cc2ccccc2cn1 ZINC001139995172 991475607 /nfs/dbraw/zinc/47/56/07/991475607.db2.gz WXKVVXXHXCHFDU-UHFFFAOYSA-N 0 1 230.311 2.313 20 0 BEADMN C[C@H]1CCC[C@H](Nc2n[nH]c(N(C)C)n2)CC1 ZINC001560466810 991478789 /nfs/dbraw/zinc/47/87/89/991478789.db2.gz BYWYLRQYPXRAET-UWVGGRQHSA-N 0 1 237.351 2.251 20 0 BEADMN Cc1nnsc1CNc1ccc2nc[nH]c2c1 ZINC001560468310 991480219 /nfs/dbraw/zinc/48/02/19/991480219.db2.gz SLHUQMBYOROEGW-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1ncc(CNCc2ccc3nc[nH]c3c2)o1 ZINC001560501430 991487182 /nfs/dbraw/zinc/48/71/82/991487182.db2.gz GWKPACIKOREHGM-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CCN(CC)Cc1ccnc(SC)n1 ZINC001140033005 991489487 /nfs/dbraw/zinc/48/94/87/991489487.db2.gz MVEFTETZVPGIFN-UHFFFAOYSA-N 0 1 211.334 2.040 20 0 BEADMN CCCn1cncc1CNCc1ccnc(F)c1 ZINC001560549184 991501326 /nfs/dbraw/zinc/50/13/26/991501326.db2.gz SUDSKLBNNWIPRQ-UHFFFAOYSA-N 0 1 248.305 2.117 20 0 BEADMN Cn1cc(Cl)c(CNC[C@H]2C=CCC2)n1 ZINC001560570947 991503399 /nfs/dbraw/zinc/50/33/99/991503399.db2.gz AMWSLGFRLPEVOA-VIFPVBQESA-N 0 1 225.723 2.129 20 0 BEADMN Cc1ncc(CNc2ccc3c[nH]nc3c2)cn1 ZINC001560569957 991505881 /nfs/dbraw/zinc/50/58/81/991505881.db2.gz PYMOXPSKRPMYKH-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN COCc1nn([C@@H]2CCC(C)(C)C2)c2c1CNC2 ZINC001258603742 991512913 /nfs/dbraw/zinc/51/29/13/991512913.db2.gz OUCPNTJEYCZWAZ-SNVBAGLBSA-N 0 1 249.358 2.384 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(O)cc2Cl)C1 ZINC001140082178 991514674 /nfs/dbraw/zinc/51/46/74/991514674.db2.gz MKQITHLBWUEPQL-LLVKDONJSA-N 0 1 241.718 2.266 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1ccc(O)cc1Cl ZINC001140081294 991517583 /nfs/dbraw/zinc/51/75/83/991517583.db2.gz KZRLOGBDGJMWJI-KCJUWKMLSA-N 0 1 241.718 2.001 20 0 BEADMN CN(C)Cc1cc(C(F)(F)F)ccn1 ZINC001140101982 991522709 /nfs/dbraw/zinc/52/27/09/991522709.db2.gz GJAOKCAAFNPCAU-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c(F)c1 ZINC001140128635 991525075 /nfs/dbraw/zinc/52/50/75/991525075.db2.gz WULSHUAKEVYUFM-NHCYSSNCSA-N 0 1 239.265 2.464 20 0 BEADMN Oc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c(F)c1 ZINC001140128124 991526263 /nfs/dbraw/zinc/52/62/63/991526263.db2.gz HYHDLBJDCSXSQU-CNDDSTCGSA-N 0 1 239.265 2.179 20 0 BEADMN Cc1ncc(CNC[C@H]2OCc3ccccc32)o1 ZINC001560620977 991526253 /nfs/dbraw/zinc/52/62/53/991526253.db2.gz RQNUYSVPDFQHNM-CQSZACIVSA-N 0 1 244.294 2.344 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)sc1C ZINC001560625099 991526292 /nfs/dbraw/zinc/52/62/92/991526292.db2.gz DROAQPGQLOSHQX-HBNTYKKESA-N 0 1 238.356 2.169 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cccc(F)n3)C[C@H]12 ZINC001140135231 991539903 /nfs/dbraw/zinc/53/99/03/991539903.db2.gz YJZFTYNNPOIMCX-JQWIXIFHSA-N 0 1 248.301 2.022 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCC[C@@H](F)C1 ZINC001258627113 991563775 /nfs/dbraw/zinc/56/37/75/991563775.db2.gz HZJAEWYHWBNXPX-DGCLKSJQSA-N 0 1 222.307 2.447 20 0 BEADMN CCN(Cc1cc(C)c(O)cc1C)C1COC1 ZINC001140201776 991563954 /nfs/dbraw/zinc/56/39/54/991563954.db2.gz ZLEPKZRLINFORI-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN Oc1cccc2[nH]cc(CN3CCSCC3)c21 ZINC001140229525 991569946 /nfs/dbraw/zinc/56/99/46/991569946.db2.gz ADDIWNBQGDZZFM-UHFFFAOYSA-N 0 1 248.351 2.422 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H](C)OC[C@@H]1C ZINC001258632359 991575869 /nfs/dbraw/zinc/57/58/69/991575869.db2.gz XXHODGNNSDENHS-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140274898 991577998 /nfs/dbraw/zinc/57/79/98/991577998.db2.gz HZKIWNXFPJEBSJ-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccncc1[O-] ZINC001140275761 991584933 /nfs/dbraw/zinc/58/49/33/991584933.db2.gz QTHWGYKEWVHQKR-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN C[N@H+](Cc1ccncc1[O-])C[C@@H]1CC1(C)C ZINC001140276973 991588412 /nfs/dbraw/zinc/58/84/12/991588412.db2.gz ONGJXGAGULHPOV-NSHDSACASA-N 0 1 220.316 2.265 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccncc1[O-] ZINC001140276037 991590069 /nfs/dbraw/zinc/59/00/69/991590069.db2.gz ZVNQTFAFBMDZSO-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN C[C@@H]1CCCCN(Cc2nc(CO)cs2)C1 ZINC001560763302 991594200 /nfs/dbraw/zinc/59/42/00/991594200.db2.gz IEKMWZVAYNZATI-SNVBAGLBSA-N 0 1 240.372 2.257 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccncc1[O-] ZINC001140281105 991600325 /nfs/dbraw/zinc/60/03/25/991600325.db2.gz WZZYQYKPFBKFOD-LBPRGKRZSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCCOCC3)c2c1 ZINC001140328189 991604119 /nfs/dbraw/zinc/60/41/19/991604119.db2.gz XHATWVRXJZVIHB-UHFFFAOYSA-N 0 1 245.326 2.094 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCO[C@H](C)C3)c2c1 ZINC001140328596 991604513 /nfs/dbraw/zinc/60/45/13/991604513.db2.gz HQWAAAVINCOMMP-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC(F)C3)c2c1 ZINC001140328057 991607322 /nfs/dbraw/zinc/60/73/22/991607322.db2.gz RMXJTWWKSGVRLX-UHFFFAOYSA-N 0 1 219.263 2.025 20 0 BEADMN Cc1ccc2[nH]nc(CN(C)[C@@H]3CCOC3)c2c1 ZINC001140330842 991611406 /nfs/dbraw/zinc/61/14/06/991611406.db2.gz MRKUDKAAUNSQDP-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2n[nH]c(CN(C)[C@@H]3CCOC3)c2c1 ZINC001140330842 991611408 /nfs/dbraw/zinc/61/14/08/991611408.db2.gz MRKUDKAAUNSQDP-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H](C)Cc1ccno1 ZINC001560831145 991614453 /nfs/dbraw/zinc/61/44/53/991614453.db2.gz GGZWAMSOMLVYHY-GHMZBOCLSA-N 0 1 248.330 2.173 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258695010 991630273 /nfs/dbraw/zinc/63/02/73/991630273.db2.gz YCAVXXJFDPRFNB-MWLCHTKSSA-N 0 1 236.363 2.433 20 0 BEADMN Cc1nnc(CN)n1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258695009 991630541 /nfs/dbraw/zinc/63/05/41/991630541.db2.gz YCAVXXJFDPRFNB-KOLCDFICSA-N 0 1 236.363 2.433 20 0 BEADMN c1[nH]nc2ccc(CN3CCSCC3)cc12 ZINC001140384936 991631428 /nfs/dbraw/zinc/63/14/28/991631428.db2.gz OVJBLMOKEATHEV-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN Cc1ccc(Cl)nc1CN1CC[C@@](C)(O)C1 ZINC001140442819 991640969 /nfs/dbraw/zinc/64/09/69/991640969.db2.gz PTZXSOPQNWTKSA-GFCCVEGCSA-N 0 1 240.734 2.000 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C=Cc2ccco2)n1 ZINC001318351998 991653210 /nfs/dbraw/zinc/65/32/10/991653210.db2.gz AEEDCKPLBUQGHZ-AATRIKPKSA-N 0 1 246.270 2.173 20 0 BEADMN CC(C)c1nc(NC(=O)C=Cc2ccco2)n[nH]1 ZINC001318351998 991653219 /nfs/dbraw/zinc/65/32/19/991653219.db2.gz AEEDCKPLBUQGHZ-AATRIKPKSA-N 0 1 246.270 2.173 20 0 BEADMN Cc1[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(C)c1C(=O)[O-] ZINC001140497686 991654755 /nfs/dbraw/zinc/65/47/55/991654755.db2.gz QPVYOPAHWVMAFD-WDEREUQCSA-N 0 1 248.326 2.314 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc2cccnc2o1 ZINC001560926001 991656458 /nfs/dbraw/zinc/65/64/58/991656458.db2.gz ADICVQXACGTDSM-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ncccc1F ZINC001560967441 991672311 /nfs/dbraw/zinc/67/23/11/991672311.db2.gz HXJBMINERQQOHC-COMAGPEQSA-N 0 1 238.306 2.122 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc1O ZINC001140573524 991673125 /nfs/dbraw/zinc/67/31/25/991673125.db2.gz NNZJYWSVLDGPQH-RWMBFGLXSA-N 0 1 235.302 2.490 20 0 BEADMN CC(C)(C)N1CCN(C(=O)CC2CCC2)CC1 ZINC001318738043 991710564 /nfs/dbraw/zinc/71/05/64/991710564.db2.gz YJKMDJHTEWKYEO-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@H](CCC)N1CCn2nncc2C1 ZINC001258765084 991724418 /nfs/dbraw/zinc/72/44/18/991724418.db2.gz AXSKAXPFVITTSY-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001598412069 991736511 /nfs/dbraw/zinc/73/65/11/991736511.db2.gz YFSLJFZEARDGEH-STQMWFEESA-N 0 1 233.311 2.339 20 0 BEADMN CCCC1CCN(CN2C(=O)CC2(C)C)CC1 ZINC001318944053 991743821 /nfs/dbraw/zinc/74/38/21/991743821.db2.gz RZHJSZBJJLHWOI-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N1CC(C)(C)C1(C)C ZINC001318971624 991752488 /nfs/dbraw/zinc/75/24/88/991752488.db2.gz OGIGJAIGYYFUQQ-WDEREUQCSA-N 0 1 240.391 2.410 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N1CC(C)(C)C1(C)C ZINC001318971623 991752697 /nfs/dbraw/zinc/75/26/97/991752697.db2.gz OGIGJAIGYYFUQQ-QWRGUYRKSA-N 0 1 240.391 2.410 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC001591120187 991791249 /nfs/dbraw/zinc/79/12/49/991791249.db2.gz LPDGOZNMKGTPFI-HBNTYKKESA-N 0 1 231.311 2.166 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1CCO[C@@H](C(C)=O)C1 ZINC001258800907 991796826 /nfs/dbraw/zinc/79/68/26/991796826.db2.gz ZENDRDOMXYRNFP-IACUBPJLSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001591123057 991801546 /nfs/dbraw/zinc/80/15/46/991801546.db2.gz KSICUOROUZERBB-UTUOFQBUSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2ncc(F)cn2)C1 ZINC001258806984 991807708 /nfs/dbraw/zinc/80/77/08/991807708.db2.gz CUATVZQNKZMPEU-KOLCDFICSA-N 0 1 223.295 2.284 20 0 BEADMN Cc1cnc(CN)n1[C@H]1CCC[C@@H](C)C1 ZINC001258808567 991814176 /nfs/dbraw/zinc/81/41/76/991814176.db2.gz RLRGBUFPQRALSA-KOLCDFICSA-N 0 1 207.321 2.401 20 0 BEADMN O=C(/C=C/C1CCCCC1)NCCN1CC=CC1 ZINC001319321018 991839471 /nfs/dbraw/zinc/83/94/71/991839471.db2.gz OGXUMWMKNHBQBR-CMDGGOBGSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@H]1CCC[C@H](N2CCn3nccc3C2)C1 ZINC001258828205 991856819 /nfs/dbraw/zinc/85/68/19/991856819.db2.gz JMYXTPWRQOAHHY-RYUDHWBXSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1CC(OC)C1 ZINC001258844352 991870873 /nfs/dbraw/zinc/87/08/73/991870873.db2.gz MTARPVACKPKLHZ-ZDUSSCGKSA-N 0 1 219.328 2.338 20 0 BEADMN CCC(=O)N1CCC[C@H](N(C)C[C@H](F)CC)C1 ZINC001567185042 991953347 /nfs/dbraw/zinc/95/33/47/991953347.db2.gz OQUPOPZLQSPUOM-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN CCC(N)=NOCc1ncoc1C(C)C ZINC001319742014 991963020 /nfs/dbraw/zinc/96/30/20/991963020.db2.gz QUQWOQWGDOJKOB-UHFFFAOYSA-N 0 1 211.265 2.206 20 0 BEADMN COc1ccc(F)cc1NCc1cc(C)[nH]n1 ZINC001319838398 992000237 /nfs/dbraw/zinc/00/02/37/992000237.db2.gz DQNRXEADGDOYID-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN Cc1c(C(=O)NC[C@H]2C[C@@H]2C)ccc2cncn21 ZINC001319872147 992014002 /nfs/dbraw/zinc/01/40/02/992014002.db2.gz UUXWSWLATZLQAZ-GXSJLCMTSA-N 0 1 243.310 2.029 20 0 BEADMN O=C1[C@@H](c2ccccc2)CCN1CN1CCCC1 ZINC001319880365 992018932 /nfs/dbraw/zinc/01/89/32/992018932.db2.gz UMGLXNBRBUJHJH-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN Cc1ccc(NS(=O)(=O)C(F)F)c(C)c1 ZINC001259949330 992044865 /nfs/dbraw/zinc/04/48/65/992044865.db2.gz IWXYVHWZVHOGKI-UHFFFAOYSA-N 0 1 235.255 2.268 20 0 BEADMN CC[C@@H](C)CC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001567790356 992095247 /nfs/dbraw/zinc/09/52/47/992095247.db2.gz MOMRULRYYWQUQC-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CCC1(c2nc([C@H]3CN4CCC3CC4)no2)CC1 ZINC001320325725 992173079 /nfs/dbraw/zinc/17/30/79/992173079.db2.gz AEWVDEBQRUWLDD-NSHDSACASA-N 0 1 247.342 2.320 20 0 BEADMN CN(C)c1ncccc1CNC1CC(F)(F)C1 ZINC001261136184 992183333 /nfs/dbraw/zinc/18/33/33/992183333.db2.gz XKLOJWQYPPHFKO-UHFFFAOYSA-N 0 1 241.285 2.035 20 0 BEADMN Cc1nnc(SCc2c(C)nsc2C)[nH]1 ZINC001261252536 992221456 /nfs/dbraw/zinc/22/14/56/992221456.db2.gz OLNBJKCELNQTJK-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591287450 992230407 /nfs/dbraw/zinc/23/04/07/992230407.db2.gz SLEFEURZXOLPGT-QMMMGPOBSA-N 0 1 226.276 2.022 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)C ZINC001591320416 992284028 /nfs/dbraw/zinc/28/40/28/992284028.db2.gz CVIUWYZSEBFYFB-ZJUUUORDSA-N 0 1 249.301 2.319 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CC[C@@]12CCOC2 ZINC001261387099 992290790 /nfs/dbraw/zinc/29/07/90/992290790.db2.gz QWVGTCVPDPXGJO-BDAKNGLRSA-N 0 1 236.142 2.045 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)OCc1nnc[nH]1 ZINC001261582945 992402553 /nfs/dbraw/zinc/40/25/53/992402553.db2.gz KESOEKSDCHVSBS-UWVGGRQHSA-N 0 1 237.303 2.064 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H](C)C2CC2)n[nH]1 ZINC001261585602 992406547 /nfs/dbraw/zinc/40/65/47/992406547.db2.gz CVVABVGKZVRFIE-HTQZYQBOSA-N 0 1 237.303 2.017 20 0 BEADMN CN(C)c1ncccc1CN1CC(CC2CC2)C1 ZINC001261764628 992497895 /nfs/dbraw/zinc/49/78/95/992497895.db2.gz JLKKPFSZEQYPHA-UHFFFAOYSA-N 0 1 245.370 2.380 20 0 BEADMN Cc1nnc(SCSC(C)C)[nH]1 ZINC001261834038 992530926 /nfs/dbraw/zinc/53/09/26/992530926.db2.gz UPRPPBXZZGVSDV-UHFFFAOYSA-N 0 1 203.336 2.304 20 0 BEADMN Cc1n[nH]c(SCSC(C)C)n1 ZINC001261834038 992530930 /nfs/dbraw/zinc/53/09/30/992530930.db2.gz UPRPPBXZZGVSDV-UHFFFAOYSA-N 0 1 203.336 2.304 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)C(=O)[O-] ZINC001573388646 992611598 /nfs/dbraw/zinc/61/15/98/992611598.db2.gz MSWHRRGUNILPJR-WUAIAJHSSA-N 0 1 247.338 2.161 20 0 BEADMN CCCCCCC(=O)NCc1cc(N)ccn1 ZINC001262047951 992630907 /nfs/dbraw/zinc/63/09/07/992630907.db2.gz COXNKZSVFGOSSY-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)o1)C(=O)[O-] ZINC001573630454 992658423 /nfs/dbraw/zinc/65/84/23/992658423.db2.gz IROKHFGYVUPORK-MRVPVSSYSA-N 0 1 225.288 2.140 20 0 BEADMN CCc1cccc(CNCc2c[nH]cn2)c1 ZINC001262111805 992683542 /nfs/dbraw/zinc/68/35/42/992683542.db2.gz QDBXMSQYEMFKDR-UHFFFAOYSA-N 0 1 215.300 2.262 20 0 BEADMN COc1cc(COc2cc(C)nc(C)c2)on1 ZINC001262158924 992717183 /nfs/dbraw/zinc/71/71/83/992717183.db2.gz BTWOJTMEBVITOR-UHFFFAOYSA-N 0 1 234.255 2.274 20 0 BEADMN C[N@@H+](Cc1cccc2[nH]ccc21)C(C)(C)C(=O)[O-] ZINC001598526581 992727900 /nfs/dbraw/zinc/72/79/00/992727900.db2.gz JVDOBKAMBWAGRV-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN C/C=C\C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001262171567 992733091 /nfs/dbraw/zinc/73/30/91/992733091.db2.gz ZNGNRQFZZMSXSF-SREVYHEPSA-N 0 1 235.331 2.242 20 0 BEADMN CNc1ccc(C)cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC001573910341 992764114 /nfs/dbraw/zinc/76/41/14/992764114.db2.gz KKPBYCKIUAOYFQ-UHFFFAOYSA-N 0 1 248.326 2.086 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H](F)C2)c2ncnn21 ZINC001262205153 992800617 /nfs/dbraw/zinc/80/06/17/992800617.db2.gz LSDQHXXUIGLMIP-ZNSHCXBVSA-N 0 1 238.310 2.154 20 0 BEADMN NC1(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC001574263851 992831350 /nfs/dbraw/zinc/83/13/50/992831350.db2.gz HEBGDCDYBWBMTP-UHFFFAOYSA-N 0 1 241.743 2.493 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@@H]21 ZINC001574400395 992853402 /nfs/dbraw/zinc/85/34/02/992853402.db2.gz QCYNQPATZADHNF-FRRDWIJNSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574479505 992866181 /nfs/dbraw/zinc/86/61/81/992866181.db2.gz MXPDROGXHPVUOK-JOYOIKCWSA-N 0 1 236.315 2.333 20 0 BEADMN CC[C@H](C)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574473656 992867083 /nfs/dbraw/zinc/86/70/83/992867083.db2.gz BAHGVKGOFIAVQZ-BJDJZHNGSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)CCn1[nH]c(C2CCOCC2)cc1=O ZINC001262379461 992870344 /nfs/dbraw/zinc/87/03/44/992870344.db2.gz AXTWVGWZAHTKKN-UHFFFAOYSA-N 0 1 238.331 2.047 20 0 BEADMN C(COCc1nn[nH]n1)CC1CCCCC1 ZINC001262483009 992889497 /nfs/dbraw/zinc/88/94/97/992889497.db2.gz SHARZCDCAVHNPH-UHFFFAOYSA-N 0 1 224.308 2.077 20 0 BEADMN CCc1csc([C@@H](C)NC[C@@H](O)CC)n1 ZINC001262575623 992929691 /nfs/dbraw/zinc/92/96/91/992929691.db2.gz USWQNVJZUKBISF-SCZZXKLOSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1csc([C@H](C)NC[C@H](O)CC)n1 ZINC001262575624 992930213 /nfs/dbraw/zinc/93/02/13/992930213.db2.gz USWQNVJZUKBISF-WCBMZHEXSA-N 0 1 228.361 2.127 20 0 BEADMN CC[C@H](F)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC001262617131 992968533 /nfs/dbraw/zinc/96/85/33/992968533.db2.gz JVHDGYYKBIYACC-YFKPBYRVSA-N 0 1 235.209 2.342 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)c1cc(CC)[nH]n1 ZINC001262647218 992998952 /nfs/dbraw/zinc/99/89/52/992998952.db2.gz XZXDPBHVUGHJOA-LLVKDONJSA-N 0 1 235.331 2.377 20 0 BEADMN CC(C)CCCC(=O)N1CCNC[C@H]1C(C)C ZINC001575566155 993074334 /nfs/dbraw/zinc/07/43/34/993074334.db2.gz SDNBOZKTQBJCMR-ZDUSSCGKSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NCc1ccc2[nH]ccc2c1)c1c[nH]nn1 ZINC001575695661 993095076 /nfs/dbraw/zinc/09/50/76/993095076.db2.gz GKPPTVBYPKDYRZ-VIFPVBQESA-N 0 1 241.298 2.137 20 0 BEADMN CC(C)N1CC(Nc2ccc(Cl)cn2)C1 ZINC000379089392 993217386 /nfs/dbraw/zinc/21/73/86/993217386.db2.gz GYIKBWIAXJPHET-UHFFFAOYSA-N 0 1 225.723 2.240 20 0 BEADMN CCCCCCOC(=O)c1[nH]cnc1C ZINC001263340490 993238683 /nfs/dbraw/zinc/23/86/83/993238683.db2.gz MIGMYVKLNCWYQV-UHFFFAOYSA-N 0 1 210.277 2.455 20 0 BEADMN Cc1nc(COC(=O)C23CCC(CC2)CC3)n[nH]1 ZINC001263410259 993285798 /nfs/dbraw/zinc/28/57/98/993285798.db2.gz RIMBKPFQLNETKJ-UHFFFAOYSA-N 0 1 249.314 2.127 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CC[C@H](C)C1 ZINC001263440226 993315596 /nfs/dbraw/zinc/31/55/96/993315596.db2.gz NDJSBRXATQJEMQ-CBAPKCEASA-N 0 1 208.261 2.064 20 0 BEADMN Cc1cc(CNc2cnccc2C)n[nH]1 ZINC000380160769 993319588 /nfs/dbraw/zinc/31/95/88/993319588.db2.gz BFBXIOGYNUOGTL-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cc(CNc2ncccc2Cl)n[nH]1 ZINC000380292876 993325676 /nfs/dbraw/zinc/32/56/76/993325676.db2.gz BXGAFWGOLJMSRP-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CC[C@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC000381184198 993377040 /nfs/dbraw/zinc/37/70/40/993377040.db2.gz XDNQECHHRQKMGW-VIFPVBQESA-N 0 1 242.344 2.219 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1ccc(F)nc1 ZINC001263586760 993404599 /nfs/dbraw/zinc/40/45/99/993404599.db2.gz PURGYVAEBXQJLV-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@]1(CO)CCN(Cc2nc3ccccc3o2)C1 ZINC000381795779 993425536 /nfs/dbraw/zinc/42/55/36/993425536.db2.gz SXDWZCPPXIEFNW-AWEZNQCLSA-N 0 1 246.310 2.032 20 0 BEADMN C[C@]1(CO)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000381812253 993427477 /nfs/dbraw/zinc/42/74/77/993427477.db2.gz VOLXGOLXVXHOLG-ZDUSSCGKSA-N 0 1 241.281 2.169 20 0 BEADMN CCOC(=O)Cc1nc2ccc(F)c(C)c2[nH]1 ZINC000587777791 993462567 /nfs/dbraw/zinc/46/25/67/993462567.db2.gz XVBVKEFYGPSVAH-UHFFFAOYSA-N 0 1 236.246 2.116 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NCc1cc(N)ccn1 ZINC001577043577 993487369 /nfs/dbraw/zinc/48/73/69/993487369.db2.gz JWWODGHARKXUIY-LLVKDONJSA-N 0 1 249.358 2.352 20 0 BEADMN CCOC(=O)/C=C/CN[C@@H](C)c1cccc(O)c1 ZINC000384019667 993536372 /nfs/dbraw/zinc/53/63/72/993536372.db2.gz ZGRFNYRSYYKFQC-BWNDKRECSA-N 0 1 249.310 2.162 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CCCC1CC1 ZINC001577380151 993634123 /nfs/dbraw/zinc/63/41/23/993634123.db2.gz GPPABNWAHLMQCB-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CN(C2CCC(F)(F)CC2)CCC1=O ZINC000390347399 993785222 /nfs/dbraw/zinc/78/52/22/993785222.db2.gz IBRYHGAHHNGVHW-SECBINFHSA-N 0 1 231.286 2.475 20 0 BEADMN Cn1cc(Cl)c(CNC[C@@H]2CC2(C)C)n1 ZINC000700681639 993840988 /nfs/dbraw/zinc/84/09/88/993840988.db2.gz YGXALMDRUIMIDX-QMMMGPOBSA-N 0 1 227.739 2.209 20 0 BEADMN CCO[C@@H]1CCN(Cc2c(N)cccc2F)C1 ZINC000701704553 993905271 /nfs/dbraw/zinc/90/52/71/993905271.db2.gz BAJCJHQGNRUXQI-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(F)ccc2N)C1 ZINC000701712508 993905944 /nfs/dbraw/zinc/90/59/44/993905944.db2.gz ZZRXNKFHOJKIQG-GFCCVEGCSA-N 0 1 238.306 2.019 20 0 BEADMN CC(C)(C)c1cc(=O)n(C2CCOCC2)[nH]1 ZINC000704894192 994052679 /nfs/dbraw/zinc/05/26/79/994052679.db2.gz AKQGXBXRSIPQDR-UHFFFAOYSA-N 0 1 224.304 2.238 20 0 BEADMN COC[C@@H](NCCOC1CC1)c1ccc(C)o1 ZINC001332836886 994369830 /nfs/dbraw/zinc/36/98/30/994369830.db2.gz AAWOXDVQATVFOX-GFCCVEGCSA-N 0 1 239.315 2.044 20 0 BEADMN Cc1cc(C)nc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC001332980006 994408324 /nfs/dbraw/zinc/40/83/24/994408324.db2.gz JNCIIONWPBOYLZ-AGGWBTHJSA-N 0 1 248.370 2.432 20 0 BEADMN CCCC1(C(=O)NCc2cc(N)ccn2)CCC1 ZINC001333273088 994429080 /nfs/dbraw/zinc/42/90/80/994429080.db2.gz MOFXZBOBJFWNRU-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2O)C1 ZINC001288861669 994479616 /nfs/dbraw/zinc/47/96/16/994479616.db2.gz BSFUGBDOTRNLNX-DTWKUNHWSA-N 0 1 237.274 2.450 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC001288861668 994480661 /nfs/dbraw/zinc/48/06/61/994480661.db2.gz BSFUGBDOTRNLNX-BDAKNGLRSA-N 0 1 237.274 2.450 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCN(C)[C@H](C)C1)CC ZINC001293396850 994652242 /nfs/dbraw/zinc/65/22/42/994652242.db2.gz VHNSVTOTFYKCFN-FXKWLGQGSA-N 0 1 236.359 2.061 20 0 BEADMN Cc1ccc(C(=O)Nc2c[nH]nn2)c(Cl)c1 ZINC001296612213 994824358 /nfs/dbraw/zinc/82/43/58/994824358.db2.gz CZQJJETUIQEMJS-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN Cc1ccoc1C(=O)Nc1cccc2[nH]nnc21 ZINC001298211944 994909646 /nfs/dbraw/zinc/90/96/46/994909646.db2.gz MJYWHJXKTJKMGK-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365629 995041455 /nfs/dbraw/zinc/04/14/55/995041455.db2.gz CXEPLUZVHLWUCU-INTQDDNPSA-N 0 1 246.310 2.480 20 0 BEADMN Nc1nccc(NC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC001336660761 995067556 /nfs/dbraw/zinc/06/75/56/995067556.db2.gz JRMOTMHXAWYREK-RYUDHWBXSA-N 0 1 240.310 2.274 20 0 BEADMN CCN1CC[C@H]1C(=O)N1CC=CC12CCCCC2 ZINC001301575907 995094003 /nfs/dbraw/zinc/09/40/03/995094003.db2.gz KIJVQTZOPIBZLO-ZDUSSCGKSA-N 0 1 248.370 2.182 20 0 BEADMN CC(C)c1ncc(CNC(=O)C2=CCCC2)[nH]1 ZINC001304107832 995188970 /nfs/dbraw/zinc/18/89/70/995188970.db2.gz MBVOCXZFLSVANY-UHFFFAOYSA-N 0 1 233.315 2.260 20 0 BEADMN C[C@H](O)[C@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC001307578182 995408154 /nfs/dbraw/zinc/40/81/54/995408154.db2.gz BTWZZYFHQNPVCD-YDHLFZDLSA-N 0 1 249.354 2.003 20 0 BEADMN Cc1cc(CNc2nnc(C3CCCC3)o2)n[nH]1 ZINC001339320333 995532864 /nfs/dbraw/zinc/53/28/64/995532864.db2.gz UDXMXCMOQMOANQ-UHFFFAOYSA-N 0 1 247.302 2.371 20 0 BEADMN OCCCCCN1CCCC[C@H]1c1ncccn1 ZINC001308047922 995534208 /nfs/dbraw/zinc/53/42/08/995534208.db2.gz JBRDLMCDCNZALP-ZDUSSCGKSA-N 0 1 249.358 2.166 20 0 BEADMN CCC(CC)CN(C)Cc1ccn(C)n1 ZINC001308150299 995569689 /nfs/dbraw/zinc/56/96/89/995569689.db2.gz JOIIEWBQNAYDFS-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN CN(CC[C@@H]1C[C@H]1C1CC1)Cc1ccn(C)n1 ZINC001308151603 995572388 /nfs/dbraw/zinc/57/23/88/995572388.db2.gz VBMIHKLKQZREGS-OCCSQVGLSA-N 0 1 233.359 2.288 20 0 BEADMN C[C@H](Oc1ccccc1C[N@@H+](C)C1CC1)C(=O)[O-] ZINC001593644153 995957435 /nfs/dbraw/zinc/95/74/35/995957435.db2.gz DIWBAGHSZUDUJD-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CCC1CC1 ZINC001593725068 996273538 /nfs/dbraw/zinc/27/35/38/996273538.db2.gz MAMZSXKZLUNWRE-QMMMGPOBSA-N 0 1 238.287 2.166 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC001599498703 997068586 /nfs/dbraw/zinc/06/85/86/997068586.db2.gz GCPGWKUOMTZEJV-AOOOYVTPSA-N 0 1 249.310 2.376 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001594109652 998195977 /nfs/dbraw/zinc/19/59/77/998195977.db2.gz IHBBFESZYMYNGL-UHFFFAOYSA-N 0 1 248.326 2.265 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001594109889 998200264 /nfs/dbraw/zinc/20/02/64/998200264.db2.gz LIWIZPWFPFFKMT-UHFFFAOYSA-N 0 1 234.299 2.255 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CC2(CCC2)C1 ZINC001594166479 998631252 /nfs/dbraw/zinc/63/12/52/998631252.db2.gz VPEMFUCNGYGUJT-JQWIXIFHSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)[N@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC001594231032 998877680 /nfs/dbraw/zinc/87/76/80/998877680.db2.gz QCYDXZSSJYFDQV-SBMIAAHKSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC001594231032 998877686 /nfs/dbraw/zinc/87/76/86/998877686.db2.gz QCYDXZSSJYFDQV-SBMIAAHKSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)[O-])C1 ZINC001594268695 999039065 /nfs/dbraw/zinc/03/90/65/999039065.db2.gz ABSIDTMMUNFMNP-PWSUYJOCSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCC(=O)[O-])C1 ZINC001594272941 999057494 /nfs/dbraw/zinc/05/74/94/999057494.db2.gz WOTZYOQXCYBCIG-YPMHNXCESA-N 0 1 248.326 2.329 20 0 BEADMN C[C@@H]1CCC(C)(C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC001594296711 999143681 /nfs/dbraw/zinc/14/36/81/999143681.db2.gz XIKPAAMCLMTKRE-MRVPVSSYSA-N 0 1 238.287 2.136 20 0 BEADMN C[C@@H]1CCC(F)(F)C[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC001594307141 999186380 /nfs/dbraw/zinc/18/63/80/999186380.db2.gz RZBATOQGKBIOCI-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H]1CCC(F)(F)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594307141 999186382 /nfs/dbraw/zinc/18/63/82/999186382.db2.gz RZBATOQGKBIOCI-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H]1C ZINC001594387804 999467355 /nfs/dbraw/zinc/46/73/55/999467355.db2.gz NTFMIZVJJHZSKB-YUMQZZPRSA-N 0 1 240.328 2.387 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)[O-])CC12CCCCC2 ZINC001594417416 999560541 /nfs/dbraw/zinc/56/05/41/999560541.db2.gz WIEUKFFJEHOFDS-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CCCCN1CCN(C(=O)CC2CCC2)CC1 ZINC001565501081 1170089916 /nfs/dbraw/zinc/08/99/16/1170089916.db2.gz IMXYSVYHKZXTRR-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Nc1c(F)cccc1CNCc1cccc(O)c1 ZINC001620768065 1170113895 /nfs/dbraw/zinc/11/38/95/1170113895.db2.gz XFYHARKSNFFXNC-UHFFFAOYSA-N 0 1 246.285 2.403 20 0 BEADMN CCCCO[C@H]1C[C@H](N(C)CC(C)=O)C1(C)C ZINC001616166983 1170116685 /nfs/dbraw/zinc/11/66/85/1170116685.db2.gz AWCHSEPMPANLIP-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN Cn1cc(Cl)c(CNC(C)(C)C2CC2)n1 ZINC001620865394 1170161409 /nfs/dbraw/zinc/16/14/09/1170161409.db2.gz RFRYKSDZHGNLLB-UHFFFAOYSA-N 0 1 227.739 2.352 20 0 BEADMN Cc1csc(CNc2cccc3[nH]nnc32)n1 ZINC001620942260 1170172400 /nfs/dbraw/zinc/17/24/00/1170172400.db2.gz ZMOKBIKULCQTET-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN C[C@H](Cc1ccno1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC001621336763 1170198690 /nfs/dbraw/zinc/19/86/90/1170198690.db2.gz IOPUINTZIHSTDG-JFGNBEQYSA-N 0 1 246.314 2.098 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2C[C@H]2c2ccco2)c1 ZINC001608954066 1170209353 /nfs/dbraw/zinc/20/93/53/1170209353.db2.gz YEYQTRHMSGJUCG-NXEZZACHSA-N 0 1 244.250 2.341 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001609684650 1170275549 /nfs/dbraw/zinc/27/55/49/1170275549.db2.gz UOZQQYYYHDAJRP-JTQLQIEISA-N 0 1 238.331 2.200 20 0 BEADMN CC[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001609952253 1170328091 /nfs/dbraw/zinc/32/80/91/1170328091.db2.gz OEWGSWVHKJEFAV-NSHDSACASA-N 0 1 236.315 2.477 20 0 BEADMN CCOC[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC001610035813 1170342379 /nfs/dbraw/zinc/34/23/79/1170342379.db2.gz UDLBHPNBEJRISL-NSHDSACASA-N 0 1 245.363 2.234 20 0 BEADMN CCc1nc([C@H](C)[NH2+][C@H](CC)C(=O)[O-])cs1 ZINC001610070489 1170344042 /nfs/dbraw/zinc/34/40/42/1170344042.db2.gz FNEZPQHHAPYMQM-JGVFFNPUSA-N 0 1 242.344 2.219 20 0 BEADMN CCc1nc([C@@H](C)[NH2+][C@@H](CC)C(=O)[O-])cs1 ZINC001610070490 1170345923 /nfs/dbraw/zinc/34/59/23/1170345923.db2.gz FNEZPQHHAPYMQM-SFYZADRCSA-N 0 1 242.344 2.219 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC(C)(C)C1 ZINC001610120434 1170350522 /nfs/dbraw/zinc/35/05/22/1170350522.db2.gz QPNITAXLHVMCDX-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@H]2C[C@H]21 ZINC001610528601 1170382391 /nfs/dbraw/zinc/38/23/91/1170382391.db2.gz BDHWNUCECSGDDT-CYZMBNFOSA-N 0 1 231.295 2.215 20 0 BEADMN CCN(C(=O)c1c2[nH]cnc2ccc1F)C1CC1 ZINC001611439390 1170437391 /nfs/dbraw/zinc/43/73/91/1170437391.db2.gz YPLSKECICCZMJQ-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN Cc1cccc([C@H](C)Nc2nccnc2CN)c1 ZINC001612177542 1170450127 /nfs/dbraw/zinc/45/01/27/1170450127.db2.gz ICGYFPIIGGXLHV-NSHDSACASA-N 0 1 242.326 2.417 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1cccc(Cl)c1 ZINC001613520007 1170477653 /nfs/dbraw/zinc/47/76/53/1170477653.db2.gz DBDXWQYNQRZWCD-SECBINFHSA-N 0 1 240.715 2.306 20 0 BEADMN Fc1cccc(CCSc2cn[nH]n2)c1 ZINC001613578295 1170479215 /nfs/dbraw/zinc/47/92/15/1170479215.db2.gz RCBGNBFDGBDMOL-UHFFFAOYSA-N 0 1 223.276 2.279 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)[C@@H]1C ZINC001616974294 1170574227 /nfs/dbraw/zinc/57/42/27/1170574227.db2.gz LCWLXNQAAQNFNE-QJPTWQEYSA-N 0 1 249.358 2.235 20 0 BEADMN CC[C@H]1CCN(Cc2nccc(C)n2)[C@H]1C ZINC001617360037 1170587853 /nfs/dbraw/zinc/58/78/53/1170587853.db2.gz LALXZWSOHMSGDB-RYUDHWBXSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001618129050 1170618194 /nfs/dbraw/zinc/61/81/94/1170618194.db2.gz RLFMCBKJBOIWCU-UHFFFAOYSA-N 0 1 229.283 2.153 20 0 BEADMN CCCN(CCC)C(=O)CCc1cc(C)[nH]n1 ZINC001618318004 1170628578 /nfs/dbraw/zinc/62/85/78/1170628578.db2.gz ANMGYAQYIJPBCD-UHFFFAOYSA-N 0 1 237.347 2.299 20 0 BEADMN CN(Cc1ncccn1)CC12CCC(CC1)C2 ZINC001620537147 1170681927 /nfs/dbraw/zinc/68/19/27/1170681927.db2.gz NPZFRHCGXVVPFH-UHFFFAOYSA-N 0 1 231.343 2.489 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1cnns1 ZINC001620644070 1170692614 /nfs/dbraw/zinc/69/26/14/1170692614.db2.gz XTMHJKSHXOMINN-SECBINFHSA-N 0 1 211.334 2.303 20 0 BEADMN CCC[C@@H]1CCCN1Cc1cnns1 ZINC001620644070 1170692618 /nfs/dbraw/zinc/69/26/18/1170692618.db2.gz XTMHJKSHXOMINN-SECBINFHSA-N 0 1 211.334 2.303 20 0 BEADMN CCC[C@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC001620643529 1170694765 /nfs/dbraw/zinc/69/47/65/1170694765.db2.gz JGWFEDZGJUZKAH-JTQLQIEISA-N 0 1 224.304 2.448 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cc2cn[nH]c2)CCO1 ZINC001620681250 1170698118 /nfs/dbraw/zinc/69/81/18/1170698118.db2.gz GHWLQILRPOBBMC-GFCCVEGCSA-N 0 1 237.347 2.047 20 0 BEADMN Cl/C=C\CNCc1ccnn1-c1ccccn1 ZINC001621096305 1170713380 /nfs/dbraw/zinc/71/33/80/1170713380.db2.gz LNCJNFHWNQMRMP-UTCJRWHESA-N 0 1 248.717 2.109 20 0 BEADMN CCN(Cc1cn(C2CC2)cn1)C1CC1 ZINC001621188954 1170737006 /nfs/dbraw/zinc/73/70/06/1170737006.db2.gz AKFUKRKAPHBRHT-UHFFFAOYSA-N 0 1 205.305 2.202 20 0 BEADMN CC[C@@H](NCc1ncccc1F)[C@@H](O)C(C)C ZINC001621392734 1170791810 /nfs/dbraw/zinc/79/18/10/1170791810.db2.gz CDZRIZUZVQKIMW-YPMHNXCESA-N 0 1 240.322 2.106 20 0 BEADMN CCc1ccc(C)nc1N[C@@H]1C[C@@H]2COC[C@H]12 ZINC001621437101 1170809735 /nfs/dbraw/zinc/80/97/35/1170809735.db2.gz ARCQLLRSSCCYLI-FRRDWIJNSA-N 0 1 232.327 2.399 20 0 BEADMN CCc1ccc(NC(=O)Nc2c[nH]nn2)cc1C ZINC001623260115 1170928702 /nfs/dbraw/zinc/92/87/02/1170928702.db2.gz RKZWFLPKRLCSFV-UHFFFAOYSA-N 0 1 245.286 2.320 20 0 BEADMN Nc1cccc2c1CCN(Cc1cccnc1)C2 ZINC000038032619 1171005571 /nfs/dbraw/zinc/00/55/71/1171005571.db2.gz QHHQKRKAHJMTEW-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN CC(C)=CC(=O)NCc1ccc2nc[nH]c2c1 ZINC001624615361 1171046201 /nfs/dbraw/zinc/04/62/01/1171046201.db2.gz JYEWIHWYBMWHGF-UHFFFAOYSA-N 0 1 229.283 2.145 20 0 BEADMN Cc1nnc(SCC(=O)c2ccccc2C)[nH]1 ZINC000041066085 1171166728 /nfs/dbraw/zinc/16/67/28/1171166728.db2.gz LZKHGBJKBJCGQX-UHFFFAOYSA-N 0 1 247.323 2.397 20 0 BEADMN Cc1n[nH]c(SCC(=O)c2ccccc2C)n1 ZINC000041066085 1171166732 /nfs/dbraw/zinc/16/67/32/1171166732.db2.gz LZKHGBJKBJCGQX-UHFFFAOYSA-N 0 1 247.323 2.397 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C)C2CCCC2)n[nH]1 ZINC001627452866 1171171608 /nfs/dbraw/zinc/17/16/08/1171171608.db2.gz GITWVFNVSYLTNM-LLVKDONJSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nc(C)c(C(=O)N(C)c2ccccc2)[nH]1 ZINC001628529281 1171248624 /nfs/dbraw/zinc/24/86/24/1171248624.db2.gz RFZMGDDJAFUBEH-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN C=C/C=C\CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001629890410 1171352328 /nfs/dbraw/zinc/35/23/28/1171352328.db2.gz HYKKTNOBMXZLMM-DLRQAJBASA-N 0 1 231.299 2.036 20 0 BEADMN CCCCN(C(=O)CCc1cc(C)[nH]n1)C1CC1 ZINC001629899828 1171352632 /nfs/dbraw/zinc/35/26/32/1171352632.db2.gz YVRLZDLLFAHKEP-UHFFFAOYSA-N 0 1 249.358 2.442 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC2(CCC2)C1 ZINC001630234784 1171378250 /nfs/dbraw/zinc/37/82/50/1171378250.db2.gz IWGHGBHZUAQUJF-UHFFFAOYSA-N 0 1 235.258 2.157 20 0 BEADMN CCCN(C)CC(=O)Nc1c(C)cccc1F ZINC001631751876 1171473478 /nfs/dbraw/zinc/47/34/78/1171473478.db2.gz QREPUAJVAWUNNS-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1cccc(F)c1NC(=O)Cc1cnc[nH]1 ZINC001631751872 1171474425 /nfs/dbraw/zinc/47/44/25/1171474425.db2.gz QNUKORWTTWLHPA-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN COc1ccc(NC(=O)c2[nH]cnc2C)c(F)c1 ZINC001632105613 1171495812 /nfs/dbraw/zinc/49/58/12/1171495812.db2.gz DQDLVIHQEMHXBP-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000048068979 1171586661 /nfs/dbraw/zinc/58/66/61/1171586661.db2.gz ZFJNMAIKPSREGD-NEPJUHHUSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1C(=O)CCc1cc(C)[nH]n1 ZINC001633511689 1171588111 /nfs/dbraw/zinc/58/81/11/1171588111.db2.gz MJGOSLNOJSEOJT-GWCFXTLKSA-N 0 1 249.358 2.298 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000048372077 1171607629 /nfs/dbraw/zinc/60/76/29/1171607629.db2.gz NRDVTRJARYSASC-ZETCQYMHSA-N 0 1 221.235 2.156 20 0 BEADMN CN[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000048372080 1171609330 /nfs/dbraw/zinc/60/93/30/1171609330.db2.gz ISNNMZVREJPEIW-SECBINFHSA-N 0 1 217.272 2.325 20 0 BEADMN O=C(CCN1CC[C@@H](F)C1)Nc1ccsc1 ZINC001634301933 1171639122 /nfs/dbraw/zinc/63/91/22/1171639122.db2.gz HSSCDSNXEKLFHO-SECBINFHSA-N 0 1 242.319 2.121 20 0 BEADMN C[C@H](NCc1cccn1C)c1ccco1 ZINC000049537841 1171701125 /nfs/dbraw/zinc/70/11/25/1171701125.db2.gz BGSSTIUVMUYGJH-JTQLQIEISA-N 0 1 204.273 2.469 20 0 BEADMN Cc1nnc(SCCOC(C)(C)C)[nH]1 ZINC000049517207 1171701506 /nfs/dbraw/zinc/70/15/06/1171701506.db2.gz QSKVVCGYKYJCQP-UHFFFAOYSA-N 0 1 215.322 2.020 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CCC[C@@H]2C)[nH]1 ZINC001635610463 1171743184 /nfs/dbraw/zinc/74/31/84/1171743184.db2.gz MQTFXOQLTXGBAH-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H](C)[C@@H](C)CC)[nH]1 ZINC001635610303 1171743694 /nfs/dbraw/zinc/74/36/94/1171743694.db2.gz GTTRTZRBPIGHBQ-UWVGGRQHSA-N 0 1 237.347 2.271 20 0 BEADMN CCCN(CC(=O)OCC)[C@@H](C)CC ZINC000050051972 1171759531 /nfs/dbraw/zinc/75/95/31/1171759531.db2.gz LICRIKSWBHASNL-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCOc1ccc(-c2nnc([C@H](C)NC)o2)cc1 ZINC000050618315 1171821333 /nfs/dbraw/zinc/82/13/33/1171821333.db2.gz OSMOBODBMRNPBF-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN CN[C@@H](C)c1nnc(-c2cccc(OC)c2)o1 ZINC000050618637 1171821359 /nfs/dbraw/zinc/82/13/59/1171821359.db2.gz CULMQKNROSVFOQ-QMMMGPOBSA-N 0 1 233.271 2.026 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccsn1 ZINC001636480399 1171837499 /nfs/dbraw/zinc/83/74/99/1171837499.db2.gz PKVWEDCXUGFCQS-UHFFFAOYSA-N 0 1 236.300 2.071 20 0 BEADMN O=C(NOC1CCC1)c1ccc(Cl)c(O)c1 ZINC001636923110 1171892090 /nfs/dbraw/zinc/89/20/90/1171892090.db2.gz ZTNKELJMUDSKHV-UHFFFAOYSA-N 0 1 241.674 2.260 20 0 BEADMN CC(C)n1c2cc(F)ccc2nc1CN ZINC000052125012 1171945171 /nfs/dbraw/zinc/94/51/71/1171945171.db2.gz SGWHSSJDLAELDU-UHFFFAOYSA-N 0 1 207.252 2.215 20 0 BEADMN CCC(C)=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000296009026 398136574 /nfs/dbraw/zinc/13/65/74/398136574.db2.gz NKXVATMWZHQDPS-BQYQJAHWSA-N 0 1 234.303 2.367 20 0 BEADMN CC/C(C)=C/C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000296009026 398136576 /nfs/dbraw/zinc/13/65/76/398136576.db2.gz NKXVATMWZHQDPS-BQYQJAHWSA-N 0 1 234.303 2.367 20 0 BEADMN CCCN(Cc1nccn1C)CC1CC1 ZINC000070947227 398142288 /nfs/dbraw/zinc/14/22/88/398142288.db2.gz HRFCRCDSIZIWPK-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1cccc(F)c1 ZINC000287410570 398143886 /nfs/dbraw/zinc/14/38/86/398143886.db2.gz RMCUNGUISCPSJE-CYBMUJFWSA-N 0 1 248.305 2.195 20 0 BEADMN c1[nH]nnc1CN1CCC(C2CCCC2)CC1 ZINC000649325646 398145233 /nfs/dbraw/zinc/14/52/33/398145233.db2.gz PAXZIPCWIOQMKD-UHFFFAOYSA-N 0 1 234.347 2.207 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062753269 349492308 /nfs/dbraw/zinc/49/23/08/349492308.db2.gz CTJDLRRAWAJGQL-SECBINFHSA-N 0 1 237.274 2.366 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnn(C(C)C)c2)[nH]n1 ZINC000602286982 349492938 /nfs/dbraw/zinc/49/29/38/349492938.db2.gz SZDSUMVYEKZHOG-LLVKDONJSA-N 0 1 247.346 2.346 20 0 BEADMN Cc1ccnc(CN(CC(C)C)C2CC2)n1 ZINC000336702857 187321555 /nfs/dbraw/zinc/32/15/55/187321555.db2.gz OEXSEBRFXOFKMD-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@H](N[C@H](C)C(F)F)[C@@H]1CCOC1 ZINC000389956539 398152037 /nfs/dbraw/zinc/15/20/37/398152037.db2.gz ZZPBHBFYSFSXHG-HLTSFMKQSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172963121 178008620 /nfs/dbraw/zinc/00/86/20/178008620.db2.gz PBSCHFRRQVQOEM-PHIMTYICSA-N 0 1 206.289 2.071 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H](C)C(F)F)CCO1 ZINC000389940683 398153136 /nfs/dbraw/zinc/15/31/36/398153136.db2.gz QHDBYMFSSPFKKC-DJLDLDEBSA-N 0 1 207.264 2.187 20 0 BEADMN CCC(CC)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000361888224 168335535 /nfs/dbraw/zinc/33/55/35/168335535.db2.gz JTSXYQBJSIQJAC-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc(CNCC2(C(F)F)CC2)no1 ZINC000336735204 178020963 /nfs/dbraw/zinc/02/09/63/178020963.db2.gz OATZKWHLIAHRFK-UHFFFAOYSA-N 0 1 216.231 2.118 20 0 BEADMN Cc1cc(CNC[C@]2(C)CCCS2)no1 ZINC000327929032 178024348 /nfs/dbraw/zinc/02/43/48/178024348.db2.gz UWAXGMPOAVYSST-NSHDSACASA-N 0 1 226.345 2.358 20 0 BEADMN Cc1cc(CNC[C@H](O)C(F)(F)F)cs1 ZINC000285746365 178024647 /nfs/dbraw/zinc/02/46/47/178024647.db2.gz COLLPJYJRSLSMK-QMMMGPOBSA-N 0 1 239.262 2.069 20 0 BEADMN Cc1cc(CNCc2cnn(C)c2)cs1 ZINC000285964740 178026190 /nfs/dbraw/zinc/02/61/90/178026190.db2.gz QZQIBJHNKWRFSF-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1cc(CNCc2cnn(C)c2)c(C)s1 ZINC000049687066 178026253 /nfs/dbraw/zinc/02/62/53/178026253.db2.gz IWDJEJQEJZTKFN-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1cc(CNCc2ccc(F)cc2C)n(C)n1 ZINC000283811808 178026787 /nfs/dbraw/zinc/02/67/87/178026787.db2.gz CYSSQGRVYKDWAH-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CC(C)COCCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000337448495 187324841 /nfs/dbraw/zinc/32/48/41/187324841.db2.gz DCPPWTUNIYQJLA-AVGNSLFASA-N 0 1 229.364 2.157 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnccc2C)n(C)n1 ZINC000284465637 178031027 /nfs/dbraw/zinc/03/10/27/178031027.db2.gz UEALAXNWOKJYGI-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)n(C)n1 ZINC000284062915 178031470 /nfs/dbraw/zinc/03/14/70/178031470.db2.gz AKRIONZYWXKABX-NSHDSACASA-N 0 1 245.326 2.285 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019904986 398172270 /nfs/dbraw/zinc/17/22/70/398172270.db2.gz CDSJVOUCWAVNNI-QWRGUYRKSA-N 0 1 247.342 2.259 20 0 BEADMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC1 ZINC000192549225 398174360 /nfs/dbraw/zinc/17/43/60/398174360.db2.gz FNDDOPUPERFZEG-UHFFFAOYSA-N 0 1 245.257 2.062 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC000177145602 136216906 /nfs/dbraw/zinc/21/69/06/136216906.db2.gz IQNDRTCZWZBLSD-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1nccc(CN2CC[C@@]3(CC3(F)F)C2)n1 ZINC000649907838 398181089 /nfs/dbraw/zinc/18/10/89/398181089.db2.gz AOUDLDPKKVZGGP-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN C[C@@H](c1cnccn1)N1CC[C@]2(CC2(F)F)C1 ZINC000649908591 398183916 /nfs/dbraw/zinc/18/39/16/398183916.db2.gz RWMQYFQSDIXDSC-ONGXEEELSA-N 0 1 239.269 2.269 20 0 BEADMN CCn1nccc1CNCc1cc(C)nc(C)c1 ZINC000421376218 192323026 /nfs/dbraw/zinc/32/30/26/192323026.db2.gz JAFCRWZEOMKZPD-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1ccc(C(C)(C)CN(C)[C@H](C)C(N)=O)cc1 ZINC000072759365 398186556 /nfs/dbraw/zinc/18/65/56/398186556.db2.gz WVLFUBWFQOJQRT-GFCCVEGCSA-N 0 1 248.370 2.078 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@@H]1CCCO1 ZINC000072817897 398187684 /nfs/dbraw/zinc/18/76/84/398187684.db2.gz JOSPOWXTBUFZBY-NEPJUHHUSA-N 0 1 220.316 2.044 20 0 BEADMN COCC1(CNc2ccc3c(n2)CCC3)CCC1 ZINC000385810145 398189522 /nfs/dbraw/zinc/18/95/22/398189522.db2.gz VWCYHUXNAJYSGY-UHFFFAOYSA-N 0 1 246.354 2.221 20 0 BEADMN Cc1cc(F)ccc1NCc1cnc[nH]1 ZINC000054763345 178089949 /nfs/dbraw/zinc/08/99/49/178089949.db2.gz IMSQHTHSJIVQBU-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN CC(C)[C@H](C)N(C)CC(=O)Nc1nccs1 ZINC000030150139 398202608 /nfs/dbraw/zinc/20/26/08/398202608.db2.gz GSMAATWVYYSZTO-VIFPVBQESA-N 0 1 241.360 2.058 20 0 BEADMN c1nc2c(ncnc2N[C@H](C2CC2)C2CCC2)[nH]1 ZINC000325023546 398206111 /nfs/dbraw/zinc/20/61/11/398206111.db2.gz JIDDEUMMQHCZIA-JTQLQIEISA-N 0 1 243.314 2.344 20 0 BEADMN Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC000074684796 398207560 /nfs/dbraw/zinc/20/75/60/398207560.db2.gz WMOTVYYSAADRDC-UWVGGRQHSA-N 0 1 221.304 2.121 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C[C@H]1F ZINC000649416287 398216401 /nfs/dbraw/zinc/21/64/01/398216401.db2.gz DLLYDNNILFMUNG-GXFFZTMASA-N 0 1 227.323 2.426 20 0 BEADMN CCC(CC)(CC)C(=O)N1CCN[C@@H](C)C1 ZINC000647807544 398216615 /nfs/dbraw/zinc/21/66/15/398216615.db2.gz PRNMRQINCJCSKB-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ncncc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000576359868 365576214 /nfs/dbraw/zinc/57/62/14/365576214.db2.gz MLGCWAOSKGRYEC-JLLWLGSASA-N 0 1 223.295 2.326 20 0 BEADMN COC(=O)C1(C)CN(Cc2sccc2C)C1 ZINC000425375938 398219473 /nfs/dbraw/zinc/21/94/73/398219473.db2.gz VFKGWYGPJIVUKI-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN Cc1cc(NCCO)c2cc(F)ccc2n1 ZINC000152875499 178162031 /nfs/dbraw/zinc/16/20/31/178162031.db2.gz CQOHBKJYUSZPBQ-UHFFFAOYSA-N 0 1 220.247 2.087 20 0 BEADMN C/C=C/C=C/C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000264698344 187331258 /nfs/dbraw/zinc/33/12/58/187331258.db2.gz JCHMXVHRRLNGHO-MFJLEKBASA-N 0 1 236.359 2.109 20 0 BEADMN Cc1cc(N[C@@H](C)c2nnc[nH]2)nc(C(C)C)n1 ZINC000226500380 178181339 /nfs/dbraw/zinc/18/13/39/178181339.db2.gz WYIQPHUHGMJPNU-VIFPVBQESA-N 0 1 246.318 2.200 20 0 BEADMN CCc1cnc(CN(C)[C@@H](C)C2CC2)o1 ZINC000075614826 398223937 /nfs/dbraw/zinc/22/39/37/398223937.db2.gz YRJHSLFTPCDCLH-VIFPVBQESA-N 0 1 208.305 2.467 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]ncc2C)C[C@@H](CC)O1 ZINC000421385472 192326423 /nfs/dbraw/zinc/32/64/23/192326423.db2.gz GMIGZEUGQAQZMN-VXGBXAGGSA-N 0 1 237.347 2.108 20 0 BEADMN CCOC[C@H](O)CNc1ccc2cnccc2c1 ZINC000576460270 365601026 /nfs/dbraw/zinc/60/10/26/365601026.db2.gz QVMNPHMWTRKXEB-CQSZACIVSA-N 0 1 246.310 2.044 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H]2C)n1 ZINC000192607700 178202551 /nfs/dbraw/zinc/20/25/51/178202551.db2.gz UUSLOBOBSCHPAM-VHSXEESVSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC[C@@H]2C)n1 ZINC000192607700 178202553 /nfs/dbraw/zinc/20/25/53/178202553.db2.gz UUSLOBOBSCHPAM-VHSXEESVSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CCC(C)CC2)n1 ZINC000177912881 178202579 /nfs/dbraw/zinc/20/25/79/178202579.db2.gz FHVYQNGRFZQTAP-LLVKDONJSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CCC3(CC3)CC2)n1 ZINC000370031288 178203173 /nfs/dbraw/zinc/20/31/73/178203173.db2.gz MRSABXBFITWUBS-LLVKDONJSA-N 0 1 247.342 2.428 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)C[C@@H](CC)O1 ZINC000421390189 192328272 /nfs/dbraw/zinc/32/82/72/192328272.db2.gz NPSBCHIOOJLRGT-ZIAGYGMSSA-N 0 1 236.359 2.415 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2cncn2c1 ZINC000334196107 136224263 /nfs/dbraw/zinc/22/42/63/136224263.db2.gz KXRXXRIHOTUYPY-GHMZBOCLSA-N 0 1 243.310 2.347 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)ccc1F ZINC000421401256 192331274 /nfs/dbraw/zinc/33/12/74/192331274.db2.gz UBZXRKRJAJGNMI-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cc([C@@H](C)NCC2(CO)CCCC2)no1 ZINC000340498395 178222080 /nfs/dbraw/zinc/22/20/80/178222080.db2.gz OUVOSRJRDCOBQQ-LLVKDONJSA-N 0 1 238.331 2.186 20 0 BEADMN CC(C)[C@H](C)N(C(=O)CCc1cnc[nH]1)C1CC1 ZINC000276640973 538933028 /nfs/dbraw/zinc/93/30/28/538933028.db2.gz UWYZQTPCICJZPR-NSHDSACASA-N 0 1 249.358 2.378 20 0 BEADMN C[C@H]1CC[C@H](C)N1C(=O)c1ccc2cncn2c1 ZINC000334196109 136224385 /nfs/dbraw/zinc/22/43/85/136224385.db2.gz KXRXXRIHOTUYPY-QWRGUYRKSA-N 0 1 243.310 2.347 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccncc2)no1 ZINC000289462648 178226125 /nfs/dbraw/zinc/22/61/25/178226125.db2.gz WCVZHIHFECFQGN-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C(C)C)C(C)(C)O)no1 ZINC000340507836 178228655 /nfs/dbraw/zinc/22/86/55/178228655.db2.gz NEWNBWTZMSCYJO-PWSUYJOCSA-N 0 1 240.347 2.429 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000334317919 136225288 /nfs/dbraw/zinc/22/52/88/136225288.db2.gz REONGPPZHPZQFE-PHIMTYICSA-N 0 1 246.358 2.304 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)N1C[C@@H]2CCC[C@@H](C2)C1 ZINC000334317919 136225289 /nfs/dbraw/zinc/22/52/89/136225289.db2.gz REONGPPZHPZQFE-PHIMTYICSA-N 0 1 246.358 2.304 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)CCc1cnc[nH]1 ZINC000280100040 538936502 /nfs/dbraw/zinc/93/65/02/538936502.db2.gz ZQPQXKKTKTXLHF-LLVKDONJSA-N 0 1 237.347 2.237 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@H]2CCO)no1 ZINC000330493019 178253164 /nfs/dbraw/zinc/25/31/64/178253164.db2.gz LNFQGFOSPSIFQE-SDDRHHMPSA-N 0 1 238.331 2.185 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000280313633 538937245 /nfs/dbraw/zinc/93/72/45/538937245.db2.gz YQSZDIBEIFPXNP-WDEREUQCSA-N 0 1 237.347 2.283 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000280691010 538937579 /nfs/dbraw/zinc/93/75/79/538937579.db2.gz WRZJAHMXHUSCHL-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cc([C@H](C)NCCCOC(C)C)no1 ZINC000282676806 178247130 /nfs/dbraw/zinc/24/71/30/178247130.db2.gz JLPZZBDSSBAKKS-NSHDSACASA-N 0 1 226.320 2.449 20 0 BEADMN Cc1cc([C@H](C)NCCC[C@@H](C)CO)no1 ZINC000285272853 178247543 /nfs/dbraw/zinc/24/75/43/178247543.db2.gz QWRHFPJLMYENIS-KOLCDFICSA-N 0 1 226.320 2.042 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](C)C[C@H](C)O)no1 ZINC000279577632 178248374 /nfs/dbraw/zinc/24/83/74/178248374.db2.gz MOUOOVGCVIHGFH-QXEWZRGKSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H]2CCCC[C@H]2O)no1 ZINC000353261713 178249073 /nfs/dbraw/zinc/24/90/73/178249073.db2.gz UUWBUUAJVSHSGV-GMXVVIOVSA-N 0 1 238.331 2.185 20 0 BEADMN CCOCCCOc1ccccc1-c1nnc[nH]1 ZINC000165387764 538935574 /nfs/dbraw/zinc/93/55/74/538935574.db2.gz MLTJCDYAGHCOAM-UHFFFAOYSA-N 0 1 247.298 2.277 20 0 BEADMN Cc1cc([C@H](C)NC[C@@]2(C)CCCO2)no1 ZINC000336730406 178250041 /nfs/dbraw/zinc/25/00/41/178250041.db2.gz DPMYFPDLFRMWPL-CMPLNLGQSA-N 0 1 224.304 2.203 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](O)C(F)F)oc1C ZINC000309564121 178250279 /nfs/dbraw/zinc/25/02/79/178250279.db2.gz LUWNCYUFEDTUGZ-CBAPKCEASA-N 0 1 233.258 2.173 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)O)no1 ZINC000296251985 178252344 /nfs/dbraw/zinc/25/23/44/178252344.db2.gz CXNWFEYNBNNZIE-WPRPVWTQSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CO)CC2CCC2)no1 ZINC000353674784 178253064 /nfs/dbraw/zinc/25/30/64/178253064.db2.gz XKQOHZGDIKQLMC-CMPLNLGQSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CO)CC(C)(C)C)no1 ZINC000330810924 178254266 /nfs/dbraw/zinc/25/42/66/178254266.db2.gz KATYBCUWBOUWKE-WDEREUQCSA-N 0 1 240.347 2.431 20 0 BEADMN CCC(CC)CNC(=O)c1[nH]nc2c1CCC2 ZINC000104551106 168359630 /nfs/dbraw/zinc/35/96/30/168359630.db2.gz ARQBGFRWIYDQCV-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@@H]23)no1 ZINC000337532342 178256345 /nfs/dbraw/zinc/25/63/45/178256345.db2.gz DOQKUUBMRPOWJF-YRRQLQLVSA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CSC2(C)C)nn1C ZINC000283891533 178259499 /nfs/dbraw/zinc/25/94/99/178259499.db2.gz FXJOFGPPVRQVIL-ONGXEEELSA-N 0 1 239.388 2.273 20 0 BEADMN Cc1cc([C@H]2CCCN2CCCCCO)no1 ZINC000362948916 178267008 /nfs/dbraw/zinc/26/70/08/178267008.db2.gz WKMXQBTVHOXFPK-CYBMUJFWSA-N 0 1 238.331 2.283 20 0 BEADMN CN(C)Cc1ccc(-c2ccnn2C)cc1F ZINC000649437906 398239653 /nfs/dbraw/zinc/23/96/53/398239653.db2.gz KENQLSHPQWBEIF-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN(C)Cc1ccc(-c2c[nH]cn2)cc1F ZINC000649437975 398239692 /nfs/dbraw/zinc/23/96/92/398239692.db2.gz NTKIYLIEURAYCX-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN Cc1nc(CCN[C@H](C)c2ncc[nH]2)cs1 ZINC000285519257 538941180 /nfs/dbraw/zinc/94/11/80/538941180.db2.gz DVVRVQJIHYIVJP-MRVPVSSYSA-N 0 1 236.344 2.068 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000094525537 398245067 /nfs/dbraw/zinc/24/50/67/398245067.db2.gz IRLYCDMYBBXBEP-SNVBAGLBSA-N 0 1 233.311 2.469 20 0 BEADMN CN(CC(=O)NCCC1=CCCC1)C1CCC1 ZINC000629974628 361822463 /nfs/dbraw/zinc/82/24/63/361822463.db2.gz PERHIBXNJYEJKF-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CC(=O)NCC[N@@H+](C)CCCC1CCCCC1 ZINC000576584690 365631436 /nfs/dbraw/zinc/63/14/36/365631436.db2.gz JHVUMLWQOOSDNL-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc[nH]1 ZINC000360459777 178300387 /nfs/dbraw/zinc/30/03/87/178300387.db2.gz LZNCZHCLGRYABS-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cncc(C)c1 ZINC000228612455 398245612 /nfs/dbraw/zinc/24/56/12/398245612.db2.gz LVRKDIBPCDMTIN-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC3(CCO3)CC2)cn1 ZINC000576570011 365626364 /nfs/dbraw/zinc/62/63/64/365626364.db2.gz REHJCUKRXPCAHL-GFCCVEGCSA-N 0 1 247.342 2.101 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286263151 538943742 /nfs/dbraw/zinc/94/37/42/538943742.db2.gz VAALHALDXVLWFZ-YPMHNXCESA-N 0 1 245.326 2.448 20 0 BEADMN Cc1ccc(-c2cc(=NC(=O)C3(C)CC3)[nH][nH]2)o1 ZINC000336253292 178317166 /nfs/dbraw/zinc/31/71/66/178317166.db2.gz ATFOMXIINJQVCZ-UHFFFAOYSA-N 0 1 245.282 2.139 20 0 BEADMN C[C@H](NC[C@@H]1COc2ccccc21)c1ncc[nH]1 ZINC000290525014 538946712 /nfs/dbraw/zinc/94/67/12/538946712.db2.gz ZBMNNDXFIQHZAB-WDEREUQCSA-N 0 1 243.310 2.237 20 0 BEADMN C[C@@H](NCc1ncn(C)n1)[C@H]1CCCC[C@H]1C ZINC000449216625 398255827 /nfs/dbraw/zinc/25/58/27/398255827.db2.gz UHGVMBZZBZLURB-UTUOFQBUSA-N 0 1 236.363 2.120 20 0 BEADMN CCCN(CC(=O)OCC)C[C@@](C)(CC)OC ZINC000602449986 349551049 /nfs/dbraw/zinc/55/10/49/349551049.db2.gz NLOZCMMFGDPUQL-CYBMUJFWSA-N 0 1 245.363 2.077 20 0 BEADMN CO[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@H]1C ZINC000299930246 538948777 /nfs/dbraw/zinc/94/87/77/538948777.db2.gz NCGLUFACRJXVST-RISCZKNCSA-N 0 1 235.327 2.249 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299896262 398264083 /nfs/dbraw/zinc/26/40/83/398264083.db2.gz MVEVCUDZCXTWAE-TUAOUCFPSA-N 0 1 225.332 2.218 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)n[nH]1 ZINC000177065109 538951284 /nfs/dbraw/zinc/95/12/84/538951284.db2.gz AYPBTFWNWBVQDL-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN CC(F)(F)CN[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000378750419 346822096 /nfs/dbraw/zinc/82/20/96/346822096.db2.gz OGBFMPFJOHGPQK-RNFRBKRXSA-N 0 1 247.207 2.341 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)C1(C)CC1 ZINC000393528894 259314293 /nfs/dbraw/zinc/31/42/93/259314293.db2.gz VAQWTVXYLFZEBV-MRVPVSSYSA-N 0 1 227.739 2.352 20 0 BEADMN c1n[nH]nc1SC1Cc2ccccc2C1 ZINC000176760472 538950495 /nfs/dbraw/zinc/95/04/95/538950495.db2.gz WLOBXCALOLJWTD-UHFFFAOYSA-N 0 1 217.297 2.064 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccsc1 ZINC000035719440 538957932 /nfs/dbraw/zinc/95/79/32/538957932.db2.gz SPBDCQGNSBLIKY-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN CC(C)n1cc(CN2CCCC23CCC3)nn1 ZINC000334666559 398272746 /nfs/dbraw/zinc/27/27/46/398272746.db2.gz NBFQAEFTCAZVMD-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCOc1ccccc1 ZINC000650503743 398274474 /nfs/dbraw/zinc/27/44/74/398274474.db2.gz WNJBRDSIFCWYNC-DGCLKSJQSA-N 0 1 249.310 2.003 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)CN(C)C1CCC1 ZINC000629981763 361828971 /nfs/dbraw/zinc/82/89/71/361828971.db2.gz RTSXIFZNKJQDRH-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN COCCCCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650505506 398274690 /nfs/dbraw/zinc/27/46/90/398274690.db2.gz GGSZGFOLUQKBGH-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CC[C@H](CSC)NCc1ncc(C)o1 ZINC000602578672 349607548 /nfs/dbraw/zinc/60/75/48/349607548.db2.gz PKDOUUBXRFCRQL-SECBINFHSA-N 0 1 214.334 2.214 20 0 BEADMN NC(=O)c1csc(=N[C@@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335381569 136234898 /nfs/dbraw/zinc/23/48/98/136234898.db2.gz WJFIHTDWNGXTJZ-RNFRBKRXSA-N 0 1 243.307 2.141 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC1CCC1 ZINC000111298284 168380739 /nfs/dbraw/zinc/38/07/39/168380739.db2.gz NZSGQJHZHIBYNM-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC=C(C)CC1 ZINC000339657287 168381423 /nfs/dbraw/zinc/38/14/23/168381423.db2.gz FBUQDAHQXBMKPY-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000339657287 168381426 /nfs/dbraw/zinc/38/14/26/168381426.db2.gz FBUQDAHQXBMKPY-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN COc1cc(CNCc2cccnc2)ccc1O ZINC000004244861 342745389 /nfs/dbraw/zinc/74/53/89/342745389.db2.gz VOQWZMRVGWINOZ-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN C[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000649481290 398279305 /nfs/dbraw/zinc/27/93/05/398279305.db2.gz BXPGGOCUWKXLMY-NSHDSACASA-N 0 1 219.332 2.061 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1C[C@@H](C)[C@H]1C ZINC000339568530 168382991 /nfs/dbraw/zinc/38/29/91/168382991.db2.gz XZBTURABHCCREV-MXWKQRLJSA-N 0 1 226.364 2.020 20 0 BEADMN CCc1nc(CN[C@H](C)[C@H](C)OC)cs1 ZINC000167455002 361866367 /nfs/dbraw/zinc/86/63/67/361866367.db2.gz NRIJVMNWHAHWPK-BDAKNGLRSA-N 0 1 228.361 2.219 20 0 BEADMN CCN(CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000038293655 342732409 /nfs/dbraw/zinc/73/24/09/342732409.db2.gz JVGODNKDAYGBAW-UHFFFAOYSA-N 0 1 221.226 2.270 20 0 BEADMN CCn1cncc1C[N@H+]1CCC[C@@H](C)C1 ZINC000335614801 136237489 /nfs/dbraw/zinc/23/74/89/136237489.db2.gz QSJIZNLNASFPHK-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN COCC1(N[C@H](C)c2cc(C)ccn2)CC1 ZINC000309649385 342775018 /nfs/dbraw/zinc/77/50/18/342775018.db2.gz NNWBWTYJUXNJMQ-LLVKDONJSA-N 0 1 220.316 2.220 20 0 BEADMN C[C@H]1CN(Cc2cccc(N(C)C)c2)C[C@H](C)O1 ZINC000607723833 342780346 /nfs/dbraw/zinc/78/03/46/342780346.db2.gz IDZDJXGYEBDQCM-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN Cc1cnc(CNC[C@]2(C)CCCS2)o1 ZINC000382317581 361896262 /nfs/dbraw/zinc/89/62/62/361896262.db2.gz SANYWIMOLCIWFW-NSHDSACASA-N 0 1 226.345 2.358 20 0 BEADMN CC[C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC000630015366 361902844 /nfs/dbraw/zinc/90/28/44/361902844.db2.gz DGRMGMMVWUSGOH-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(CN[C@H](C)c2cscn2)n[nH]1 ZINC000380172861 538986769 /nfs/dbraw/zinc/98/67/69/538986769.db2.gz DXOTUDRXVBZBLZ-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CC[C@@]1(NCc2ncc(C)s2)CCOC1 ZINC000380296093 538988512 /nfs/dbraw/zinc/98/85/12/538988512.db2.gz CSHAEEKVAKBHPI-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N1CCCN(C)CC1 ZINC000341227416 168396193 /nfs/dbraw/zinc/39/61/93/168396193.db2.gz MKXKUDSIHNFJEJ-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H]1CCCCN1Cc1ncccn1 ZINC000191907406 538993283 /nfs/dbraw/zinc/99/32/83/538993283.db2.gz OZAWEKOKTFTNNW-NSHDSACASA-N 0 1 205.305 2.241 20 0 BEADMN Cc1c(F)cccc1NC(=O)CCc1cnc[nH]1 ZINC000189189546 538980793 /nfs/dbraw/zinc/98/07/93/538980793.db2.gz KBAYHIUAHONQTI-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN C[C@H](N[C@H]1CCCC1(F)F)[C@H]1CCOC1 ZINC000379877371 538980935 /nfs/dbraw/zinc/98/09/35/538980935.db2.gz AUCDICXADYPDFI-GUBZILKMSA-N 0 1 219.275 2.189 20 0 BEADMN CCOC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)C(C)C ZINC000189345129 538982281 /nfs/dbraw/zinc/98/22/81/538982281.db2.gz LEZHVAVCUPIDFW-GXFFZTMASA-N 0 1 239.363 2.430 20 0 BEADMN CC(C)CC1(CNC(=O)CCc2cnc[nH]2)CC1 ZINC000189496346 538983178 /nfs/dbraw/zinc/98/31/78/538983178.db2.gz KRISSHJQDODRSK-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN COCCOc1ccc(CN2CC3(CC3)C2)cc1 ZINC000449371233 398292274 /nfs/dbraw/zinc/29/22/74/398292274.db2.gz RTZPWUMCZXJHAT-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC[C@@H]1C1CCC1 ZINC000193137187 539002291 /nfs/dbraw/zinc/00/22/91/539002291.db2.gz YCFOGWYFHSLCLK-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN CC1(C)CCCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000193352647 539004857 /nfs/dbraw/zinc/00/48/57/539004857.db2.gz ORDKMMXVISTBIC-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000195515358 539010609 /nfs/dbraw/zinc/01/06/09/539010609.db2.gz MHHFJJBVMOELLQ-LLVKDONJSA-N 0 1 207.321 2.042 20 0 BEADMN C[C@@H]1CCCN(Cc2nccn2C)CC1 ZINC000195515358 539010611 /nfs/dbraw/zinc/01/06/11/539010611.db2.gz MHHFJJBVMOELLQ-LLVKDONJSA-N 0 1 207.321 2.042 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CS[C@@H](C)C2)s1 ZINC000391837996 398296092 /nfs/dbraw/zinc/29/60/92/398296092.db2.gz UETAIDXGPXBIBA-ACLDMZEESA-N 0 1 243.401 2.391 20 0 BEADMN Cc1ccc2c(c1C)OC[C@@H]2NC1CSC1 ZINC000381385278 538999690 /nfs/dbraw/zinc/99/96/90/538999690.db2.gz MMGMWLUUIKWOLZ-LBPRGKRZSA-N 0 1 235.352 2.442 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000390269537 539020869 /nfs/dbraw/zinc/02/08/69/539020869.db2.gz RFDQMQZHSKSMFD-KWQFWETISA-N 0 1 223.247 2.046 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000390269537 539020870 /nfs/dbraw/zinc/02/08/70/539020870.db2.gz RFDQMQZHSKSMFD-KWQFWETISA-N 0 1 223.247 2.046 20 0 BEADMN CC[C@@H](CN(C)CC(=O)N(C)C)c1ccccc1 ZINC000349585526 398298594 /nfs/dbraw/zinc/29/85/94/398298594.db2.gz OMRUIMPLCDIYIM-ZDUSSCGKSA-N 0 1 248.370 2.200 20 0 BEADMN CC=CCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000624199036 342841220 /nfs/dbraw/zinc/84/12/20/342841220.db2.gz DXPXVKCEWZTYCE-PBKGFPTLSA-N 0 1 234.328 2.121 20 0 BEADMN CCCCN(Cc1cncc(OC)n1)C1CC1 ZINC000625079348 342849443 /nfs/dbraw/zinc/84/94/43/342849443.db2.gz DQICLUOEJJSJDT-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN CC(C)[N@H+](CC(N)=O)CC1CCC(C)CC1 ZINC000179660944 342854470 /nfs/dbraw/zinc/85/44/70/342854470.db2.gz LIQBWVYDNDSZDV-UHFFFAOYSA-N 0 1 226.364 2.008 20 0 BEADMN Clc1csc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000165015816 342868635 /nfs/dbraw/zinc/86/86/35/342868635.db2.gz HAAOOQDIENDSIA-ZETCQYMHSA-N 0 1 243.763 2.445 20 0 BEADMN CSC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134567024 342868657 /nfs/dbraw/zinc/86/86/57/342868657.db2.gz WMIKCULEPOCKKB-SFYZADRCSA-N 0 1 213.350 2.120 20 0 BEADMN CC[N@@H+](CC/C=C/c1ccccc1)CC(=O)[O-] ZINC000323257987 398307358 /nfs/dbraw/zinc/30/73/58/398307358.db2.gz FCAOUWVOWPBAGD-UXBLZVDNSA-N 0 1 233.311 2.496 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1F ZINC000092940997 398307829 /nfs/dbraw/zinc/30/78/29/398307829.db2.gz VLMLSPKJOPNSIC-GXSJLCMTSA-N 0 1 237.274 2.121 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1F ZINC000092941003 398307856 /nfs/dbraw/zinc/30/78/56/398307856.db2.gz VLMLSPKJOPNSIC-ONGXEEELSA-N 0 1 237.274 2.121 20 0 BEADMN Cc1cncc(CCN2Cc3ccccc3C2)n1 ZINC000649520415 398308116 /nfs/dbraw/zinc/30/81/16/398308116.db2.gz MZSHAVPJVUJWJR-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN c1cc(NCC[C@@H]2CCOC2)nc2c1CCC2 ZINC000232555473 342858317 /nfs/dbraw/zinc/85/83/17/342858317.db2.gz NDVAIYUMRZUAQQ-LLVKDONJSA-N 0 1 232.327 2.409 20 0 BEADMN Cc1cc(CNCC2(C(F)(F)F)CC2)on1 ZINC000631133800 342858996 /nfs/dbraw/zinc/85/89/96/342858996.db2.gz GJBOBUVLANPSOZ-UHFFFAOYSA-N 0 1 234.221 2.415 20 0 BEADMN COc1cncc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000625152483 342895521 /nfs/dbraw/zinc/89/55/21/342895521.db2.gz PDBUHMXUQLXGIQ-PHIMTYICSA-N 0 1 235.331 2.248 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@H](C)[C@H](C)C2)o1 ZINC000076112168 342897694 /nfs/dbraw/zinc/89/76/94/342897694.db2.gz LLUAORQTCXITPO-HRDYMLBCSA-N 0 1 209.293 2.027 20 0 BEADMN CCSCCCNCc1ncc(C)o1 ZINC000233830938 342888869 /nfs/dbraw/zinc/88/88/69/342888869.db2.gz CSTGOHUYTFTNJD-UHFFFAOYSA-N 0 1 214.334 2.216 20 0 BEADMN CCC[C@](C)([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC000036808168 342911053 /nfs/dbraw/zinc/91/10/53/342911053.db2.gz KFSZRMWKUSJNPJ-NSHDSACASA-N 0 1 242.344 2.185 20 0 BEADMN CCOC(=O)[C@H]1CCCN1[C@@H]1CCC12CCC2 ZINC000602612032 349635479 /nfs/dbraw/zinc/63/54/79/349635479.db2.gz QWYCDZBAQCKZSW-VXGBXAGGSA-N 0 1 237.343 2.347 20 0 BEADMN CC[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233841057 342912937 /nfs/dbraw/zinc/91/29/37/342912937.db2.gz UJBUMIAKGDHEGY-PWSUYJOCSA-N 0 1 213.321 2.218 20 0 BEADMN CCSCC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000233827485 342913142 /nfs/dbraw/zinc/91/31/42/342913142.db2.gz ICCKTGVPXFWLDO-GFCCVEGCSA-N 0 1 245.388 2.172 20 0 BEADMN O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000521881018 259328387 /nfs/dbraw/zinc/32/83/87/259328387.db2.gz NTKFVTYULNYKBK-IACUBPJLSA-N 0 1 249.358 2.098 20 0 BEADMN C[C@@]1(O)CCN(Cc2cc(O)ccc2Cl)C1 ZINC000625212187 342914619 /nfs/dbraw/zinc/91/46/19/342914619.db2.gz LGXQCSDBEOODNR-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN C[C@]1(O)CCN(Cc2cc(O)ccc2Cl)C1 ZINC000625212188 342914770 /nfs/dbraw/zinc/91/47/70/342914770.db2.gz LGXQCSDBEOODNR-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000037080209 342917651 /nfs/dbraw/zinc/91/76/51/342917651.db2.gz MFRMNOJHPCTNFK-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN2CCC(O)CC2)o1 ZINC000271045276 187336012 /nfs/dbraw/zinc/33/60/12/187336012.db2.gz QJWPKJBXKROKQG-GXFFZTMASA-N 0 1 235.327 2.360 20 0 BEADMN CCC(CC)CNC(=O)CN1CCC(C)(C)C1 ZINC000580842029 346876051 /nfs/dbraw/zinc/87/60/51/346876051.db2.gz UPNCPEQNUFBLDN-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634585884 342929121 /nfs/dbraw/zinc/92/91/21/342929121.db2.gz UVLKFVILQOBKHO-BXKDBHETSA-N 0 1 244.294 2.444 20 0 BEADMN C[C@H]1CCc2c1[nH]n(C1CCCC1)c2=O ZINC000634587982 342933170 /nfs/dbraw/zinc/93/31/70/342933170.db2.gz FRENYAMBXYPYPK-WPRPVWTQSA-N 0 1 206.289 2.173 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1C1CCCC1 ZINC000634588085 342934045 /nfs/dbraw/zinc/93/40/45/342934045.db2.gz IYNLDPHAIZMEBM-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN CC(C)C1(CN2CC[C@@H](C)[S@](=O)CC2)CC1 ZINC000602636464 349651468 /nfs/dbraw/zinc/65/14/68/349651468.db2.gz IISSLRZYFKDZPV-MLGOLLRUSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1C[C@H](N(C)C(=O)C2(C)CCC2)CC[N@H+]1C ZINC000336308233 398329544 /nfs/dbraw/zinc/32/95/44/398329544.db2.gz PWZZFLYTYGBIIP-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](NCc1cncn1C)c1ccncc1 ZINC000174437339 346881965 /nfs/dbraw/zinc/88/19/65/346881965.db2.gz YKIJDXWEURYZHT-CYBMUJFWSA-N 0 1 230.315 2.056 20 0 BEADMN COC(=O)c1cc(CN2[C@@H](C)C[C@@H]2C)[nH]c1C ZINC000602648844 349658717 /nfs/dbraw/zinc/65/87/17/349658717.db2.gz OCGJMHBFDWEICE-IUCAKERBSA-N 0 1 236.315 2.092 20 0 BEADMN C[C@@H](CCN1CCOCC1)OCc1ccccc1 ZINC000354852322 398330718 /nfs/dbraw/zinc/33/07/18/398330718.db2.gz GNNMQJMZXONJEE-AWEZNQCLSA-N 0 1 249.354 2.314 20 0 BEADMN Cc1nc([C@@H]2CCCCN2CC[C@H](C)F)n[nH]1 ZINC000351729263 136250068 /nfs/dbraw/zinc/25/00/68/136250068.db2.gz FBUWGSQLVBYYKQ-ONGXEEELSA-N 0 1 240.326 2.388 20 0 BEADMN CC(C)(NCC1=CCCOC1)c1nccs1 ZINC000124730867 398339058 /nfs/dbraw/zinc/33/90/58/398339058.db2.gz WIWBJGGEPOQWPR-UHFFFAOYSA-N 0 1 238.356 2.315 20 0 BEADMN CCN(CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000355204575 398332067 /nfs/dbraw/zinc/33/20/67/398332067.db2.gz TWPAPJQSLGCMBI-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CCn1ccnc1[C@H](C)NCCOC(C)(C)C ZINC000560339599 398333458 /nfs/dbraw/zinc/33/34/58/398333458.db2.gz MDCPRVRNVGGRGF-NSHDSACASA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@@H](c1ccccc1)N(C)Cc1nnc[nH]1 ZINC000174812173 346887481 /nfs/dbraw/zinc/88/74/81/346887481.db2.gz JRBDPTSENUASIL-LBPRGKRZSA-N 0 1 230.315 2.388 20 0 BEADMN COc1cc(CN2C[C@@H]3CCCC[C@@]32C)on1 ZINC000626103862 398334201 /nfs/dbraw/zinc/33/42/01/398334201.db2.gz UDZFEBAUIIFPEZ-GWCFXTLKSA-N 0 1 236.315 2.448 20 0 BEADMN CC(C)CCN(C)C(=O)[C@@H](N)c1ccccc1 ZINC000037817898 398334616 /nfs/dbraw/zinc/33/46/16/398334616.db2.gz DQPAYNUVIBVXMR-ZDUSSCGKSA-N 0 1 234.343 2.191 20 0 BEADMN CCCN1N=C(c2ccc(F)c(C)c2)CC1=O ZINC000634592788 342946413 /nfs/dbraw/zinc/94/64/13/342946413.db2.gz UOEIOALJJZXBFE-UHFFFAOYSA-N 0 1 234.274 2.481 20 0 BEADMN CCC1=NN(CC2CCCC2)C(=O)[C@@H]1C ZINC000634591504 342941980 /nfs/dbraw/zinc/94/19/80/342941980.db2.gz FRBHPHNOZYTNSW-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN CCc1[nH]n(CC2CCCC2)c(=O)c1C ZINC000634591504 342941981 /nfs/dbraw/zinc/94/19/81/342941981.db2.gz FRBHPHNOZYTNSW-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN O=c1c2c([nH]n1CC1CCCC1)CCC2 ZINC000634591403 342942050 /nfs/dbraw/zinc/94/20/50/342942050.db2.gz BSSRKLKSQFTQRP-JTQLQIEISA-N 0 1 206.289 2.175 20 0 BEADMN CSC[C@@H]1CCCN1Cc1ncc(C)o1 ZINC000135463562 398342126 /nfs/dbraw/zinc/34/21/26/398342126.db2.gz JTFUSXGMQVICFP-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN c1ncc(CN2CCSC[C@@H]2C2CC2)s1 ZINC000334679916 398343415 /nfs/dbraw/zinc/34/34/15/398343415.db2.gz WSQFVPLPZWNCAC-LLVKDONJSA-N 0 1 240.397 2.471 20 0 BEADMN O=c1cc(C2CC2)[nH]n1CCc1ccccc1 ZINC000634592209 342945951 /nfs/dbraw/zinc/94/59/51/342945951.db2.gz BMLAXYHHALXAEG-UHFFFAOYSA-N 0 1 228.295 2.227 20 0 BEADMN C[C@H]1CCc2c(=O)n(CCc3ccccc3)[nH]c21 ZINC000634592169 342946039 /nfs/dbraw/zinc/94/60/39/342946039.db2.gz AKRAYAMUWVXPNS-WCQYABFASA-N 0 1 242.322 2.473 20 0 BEADMN CCCN1N=C(c2cccc(OC)c2)[C@@H](C)C1=O ZINC000634592328 342946051 /nfs/dbraw/zinc/94/60/51/342946051.db2.gz GHPORBKUKOCDTA-SNVBAGLBSA-N 0 1 246.310 2.288 20 0 BEADMN Cc1[nH]n(CCc2ccccc2)c(=O)c1C ZINC000634593251 342951045 /nfs/dbraw/zinc/95/10/45/342951045.db2.gz JQSJJLWSVPSAMC-JTQLQIEISA-N 0 1 216.284 2.083 20 0 BEADMN CCC[C@@H]1C[N@@H+](CC2CC(OCC)C2)CCO1 ZINC000351761109 136252675 /nfs/dbraw/zinc/25/26/75/136252675.db2.gz WQGWYLYPLGFRPM-ROKHWSDSSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cnc(CNC2CC(OC(C)C)C2)s1 ZINC000189537620 346896850 /nfs/dbraw/zinc/89/68/50/346896850.db2.gz XGJOUVRJGAVHAG-UHFFFAOYSA-N 0 1 240.372 2.497 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)CN(CC)C1CC1 ZINC000151710719 323024629 /nfs/dbraw/zinc/02/46/29/323024629.db2.gz JQKITRRKMYBEIU-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nccc(CN2CC[C@@H](OCC(C)C)C2)n1 ZINC000351779060 136253726 /nfs/dbraw/zinc/25/37/26/136253726.db2.gz JCCMMCHMKQUATM-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCCCF ZINC000304392205 259335037 /nfs/dbraw/zinc/33/50/37/259335037.db2.gz MSWJMRMPDVHRNM-WOPDTQHZSA-N 0 1 243.322 2.311 20 0 BEADMN COC1CC(N(C)Cc2cnc(C)s2)C1 ZINC000352204170 536719336 /nfs/dbraw/zinc/71/93/36/536719336.db2.gz WPHDVCIXEPIODN-UHFFFAOYSA-N 0 1 226.345 2.061 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@H](C)C2CC2)[nH]1 ZINC000634597386 342973968 /nfs/dbraw/zinc/97/39/68/342973968.db2.gz IPFRGFQTKTUESQ-RKDXNWHRSA-N 0 1 208.305 2.419 20 0 BEADMN C[C@H](C1CC1)n1[nH]c(C2(C)CC2)cc1=O ZINC000634597740 342975315 /nfs/dbraw/zinc/97/53/15/342975315.db2.gz SSOGCWSCCXDADW-MRVPVSSYSA-N 0 1 206.289 2.173 20 0 BEADMN C/C=C/CNCc1ccc(C#N)cc1F ZINC000394993313 344019590 /nfs/dbraw/zinc/01/95/90/344019590.db2.gz CSKWRXBHOCOBAK-NSCUHMNNSA-N 0 1 204.248 2.363 20 0 BEADMN CCCC1=NN(c2cc(C)ncn2)C(=O)[C@@H]1CC ZINC000634600739 342994159 /nfs/dbraw/zinc/99/41/59/342994159.db2.gz QYJCHIRXGMKEBY-SNVBAGLBSA-N 0 1 246.314 2.314 20 0 BEADMN Cc1ccnc(N2N=C3[C@H](C)CC[C@@H]3C2=O)c1 ZINC000634600480 342993276 /nfs/dbraw/zinc/99/32/76/342993276.db2.gz IYDVBZWYOSZZRJ-ZJUUUORDSA-N 0 1 229.283 2.139 20 0 BEADMN C[C@H](C1CC1)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634597924 342978107 /nfs/dbraw/zinc/97/81/07/342978107.db2.gz YUXAOXRNJUOXJP-FXPVBKGRSA-N 0 1 220.316 2.419 20 0 BEADMN CCCCC1=NN(C[C@H]2CCCO2)C(=O)[C@H]1C ZINC000634598009 342979952 /nfs/dbraw/zinc/97/99/52/342979952.db2.gz BHZJFQSCPVZDCH-WDEREUQCSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C[C@H]2CCCO2)c(=O)c1C ZINC000634598009 342979953 /nfs/dbraw/zinc/97/99/53/342979953.db2.gz BHZJFQSCPVZDCH-WDEREUQCSA-N 0 1 238.331 2.190 20 0 BEADMN CSC1CCN(Cc2cc(C)no2)CC1 ZINC000602725558 349715170 /nfs/dbraw/zinc/71/51/70/349715170.db2.gz HDWSITMVJNRTDU-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356868800 187213921 /nfs/dbraw/zinc/21/39/21/187213921.db2.gz ZEOUAMBSSPGKQI-AGIUHOORSA-N 0 1 240.391 2.220 20 0 BEADMN COC(=O)c1cc(CNCC(C)(C)F)c(C)o1 ZINC000602726399 349715831 /nfs/dbraw/zinc/71/58/31/349715831.db2.gz LFKBYTITPVJDGV-UHFFFAOYSA-N 0 1 243.278 2.212 20 0 BEADMN CCn1cncc1CN1CCC(SC)CC1 ZINC000602728079 349716295 /nfs/dbraw/zinc/71/62/95/349716295.db2.gz XJJZNFWPAIGRBF-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN CSC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000602728055 349716701 /nfs/dbraw/zinc/71/67/01/349716701.db2.gz WMIUZZHCJFJYSY-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN CSC1CCN(Cc2n[nH]cc2C)CC1 ZINC000602728055 349716702 /nfs/dbraw/zinc/71/67/02/349716702.db2.gz WMIUZZHCJFJYSY-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(CCc2ccncc2)[nH]1 ZINC000634599146 342987334 /nfs/dbraw/zinc/98/73/34/342987334.db2.gz BKNIUINXRUDSJF-LLVKDONJSA-N 0 1 245.326 2.259 20 0 BEADMN Cc1[nH]n([C@@H]2CCC[C@@H](C)C2)c(=O)c1C ZINC000634599442 342988159 /nfs/dbraw/zinc/98/81/59/342988159.db2.gz IOQGOGMFICBSGV-WCABBAIRSA-N 0 1 208.305 2.419 20 0 BEADMN CCc1cc(=O)n(CC(F)(F)C(F)(F)F)[nH]1 ZINC000634605039 342999268 /nfs/dbraw/zinc/99/92/68/342999268.db2.gz ZEAWZYJBUMTPHC-UHFFFAOYSA-N 0 1 244.163 2.182 20 0 BEADMN Cc1cnccc1N1N=C2CCCC[C@@H]2C1=O ZINC000634605980 343001023 /nfs/dbraw/zinc/00/10/23/343001023.db2.gz DBBXDVCYXFCCGY-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000634605980 343001024 /nfs/dbraw/zinc/00/10/24/343001024.db2.gz DBBXDVCYXFCCGY-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000634606499 343001612 /nfs/dbraw/zinc/00/16/12/343001612.db2.gz UNMJKFUHNKNQGV-QPUJVOFHSA-N 0 1 229.283 2.139 20 0 BEADMN O=C1[C@H]2CCCCCCC2=NN1c1cccnn1 ZINC000634606746 343003059 /nfs/dbraw/zinc/00/30/59/343003059.db2.gz AHCDIIJABDAFKA-JTQLQIEISA-N 0 1 244.298 2.150 20 0 BEADMN CCC[C@@H]1C(C)=NN(c2ccc(OC)cn2)C1=O ZINC000634609124 343007774 /nfs/dbraw/zinc/00/77/74/343007774.db2.gz WUQPDMSNVXPRAW-LLVKDONJSA-N 0 1 247.298 2.229 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000335902379 136259843 /nfs/dbraw/zinc/25/98/43/136259843.db2.gz INLCKOFQHYAEQW-PWSUYJOCSA-N 0 1 233.315 2.205 20 0 BEADMN CCCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000335902225 136259850 /nfs/dbraw/zinc/25/98/50/136259850.db2.gz VROSUXAFCIQRFA-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCOc1ccc(C2=NN(C3CC3)C(=O)C2)cc1 ZINC000634618239 343016313 /nfs/dbraw/zinc/01/63/13/343016313.db2.gz KHZYTKCFLBJYBK-UHFFFAOYSA-N 0 1 244.294 2.184 20 0 BEADMN Cc1cc(C2=NN(C3CC3)C(=O)C2)ccc1F ZINC000634618656 343016636 /nfs/dbraw/zinc/01/66/36/343016636.db2.gz ZJEKRQRZLRGMDX-UHFFFAOYSA-N 0 1 232.258 2.233 20 0 BEADMN CCCC(CCC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000211941978 343017210 /nfs/dbraw/zinc/01/72/10/343017210.db2.gz DOPLJTIVNJUAGR-TXEJJXNPSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(-n2[nH]c(C3(C)CC3)cc2=O)ccn1 ZINC000634619250 343018428 /nfs/dbraw/zinc/01/84/28/343018428.db2.gz SZPWCHGNRVPTHN-UHFFFAOYSA-N 0 1 229.283 2.283 20 0 BEADMN CC(C)(C)CCn1[nH]c(C2CC2)cc1=O ZINC000634620464 343019668 /nfs/dbraw/zinc/01/96/68/343019668.db2.gz FMRLSHNTUIMVCA-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN CCCc1cc(=O)n([C@@H]2CCOC(C)(C)C2)[nH]1 ZINC000634621748 343020500 /nfs/dbraw/zinc/02/05/00/343020500.db2.gz OSRNACBQGITCBW-LLVKDONJSA-N 0 1 238.331 2.332 20 0 BEADMN CC(C)c1cc(=O)n([C@H]2CCOC(C)(C)C2)[nH]1 ZINC000634622020 343020757 /nfs/dbraw/zinc/02/07/57/343020757.db2.gz VPLOFKJSXSKVDT-JTQLQIEISA-N 0 1 238.331 2.188 20 0 BEADMN O=c1cc(Cc2ccccc2)[nH]n1CC(F)F ZINC000634622497 343022679 /nfs/dbraw/zinc/02/26/79/343022679.db2.gz GWFOFOXAPLHFCJ-UHFFFAOYSA-N 0 1 238.237 2.083 20 0 BEADMN COc1cc(F)ccc1-n1[nH]c(C2CC2)cc1=O ZINC000634624691 343026265 /nfs/dbraw/zinc/02/62/65/343026265.db2.gz OBKVSAMWTUVEPB-UHFFFAOYSA-N 0 1 248.257 2.337 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1cccc(F)c1F ZINC000634614074 343011714 /nfs/dbraw/zinc/01/17/14/343011714.db2.gz QZKVBAJCBIOAMT-UHFFFAOYSA-N 0 1 236.221 2.468 20 0 BEADMN Cc1[nH]n(-c2cccc(F)c2F)c(=O)c1C ZINC000634613926 343011766 /nfs/dbraw/zinc/01/17/66/343011766.db2.gz MBIUULDMTTYJPO-LURJTMIESA-N 0 1 224.210 2.323 20 0 BEADMN CC[C@H](C)c1cc(=O)n(CCc2ccccn2)[nH]1 ZINC000634614731 343012151 /nfs/dbraw/zinc/01/21/51/343012151.db2.gz LSLPKRJCBLEVLK-NSHDSACASA-N 0 1 245.326 2.259 20 0 BEADMN CC(C)CN(CC(=O)c1cccn1C)C1CC1 ZINC000047848367 343013302 /nfs/dbraw/zinc/01/33/02/343013302.db2.gz KLDMIRPHPQKJAY-UHFFFAOYSA-N 0 1 234.343 2.328 20 0 BEADMN CCC1=NN([C@H](C)C(F)(F)F)C(=O)[C@@H]1C ZINC000634631237 343041657 /nfs/dbraw/zinc/04/16/57/343041657.db2.gz OKKKMVKNOMPKMI-PHDIDXHHSA-N 0 1 222.210 2.182 20 0 BEADMN CCc1[nH]n([C@H](C)C(F)(F)F)c(=O)c1C ZINC000634631237 343041659 /nfs/dbraw/zinc/04/16/59/343041659.db2.gz OKKKMVKNOMPKMI-PHDIDXHHSA-N 0 1 222.210 2.182 20 0 BEADMN COCCc1cc(=O)n([C@@H]2CCCC2(C)C)[nH]1 ZINC000634625935 343030810 /nfs/dbraw/zinc/03/08/10/343030810.db2.gz RPKSSILWXQDOAE-LLVKDONJSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@@H]1C[N@H+](CCCC(=O)[O-])C[C@H](C)C1(F)F ZINC000625646308 344024449 /nfs/dbraw/zinc/02/44/49/344024449.db2.gz AOYZXCPZRXGBCD-DTORHVGOSA-N 0 1 235.274 2.074 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@H]2CCSC2)[nH]1 ZINC000634627558 343033618 /nfs/dbraw/zinc/03/36/18/343033618.db2.gz FRVSIVJFOSNDJX-IUCAKERBSA-N 0 1 226.345 2.126 20 0 BEADMN C[C@@H]1CCc2[nH]n([C@@H]3CCSC3)c(=O)c2C1 ZINC000634627798 343033935 /nfs/dbraw/zinc/03/39/35/343033935.db2.gz KVONGCQLOVVXSD-OPRDCNLKSA-N 0 1 238.356 2.126 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(C[C@H]2CCSC2)[nH]1 ZINC000634628852 343036059 /nfs/dbraw/zinc/03/60/59/343036059.db2.gz HJDQDRHHOZDSBJ-NXEZZACHSA-N 0 1 240.372 2.374 20 0 BEADMN CCCc1cc(=O)n(C[C@@H]2CCSC2)[nH]1 ZINC000634629065 343036131 /nfs/dbraw/zinc/03/61/31/343036131.db2.gz LVGSFUCLTFXZFZ-VIFPVBQESA-N 0 1 226.345 2.128 20 0 BEADMN C[C@H](c1ccncc1)n1[nH]c(C2CC2)cc1=O ZINC000634627109 343036786 /nfs/dbraw/zinc/03/67/86/343036786.db2.gz VTYVRSVQKXDWSS-SECBINFHSA-N 0 1 229.283 2.141 20 0 BEADMN C[C@H](n1[nH]c([C@@H]2CCOC2)cc1=O)C(C)(C)C ZINC000634629730 343037920 /nfs/dbraw/zinc/03/79/20/343037920.db2.gz AUZWSNMSZCBGEZ-VHSXEESVSA-N 0 1 238.331 2.046 20 0 BEADMN Cn1ccnc1N1N=C2CCCCCC[C@H]2C1=O ZINC000634629778 343037939 /nfs/dbraw/zinc/03/79/39/343037939.db2.gz CPIITZOIECGFDJ-SNVBAGLBSA-N 0 1 246.314 2.093 20 0 BEADMN CC[C@H](C)c1cc(=O)n(-c2ccncc2F)[nH]1 ZINC000634633876 343046889 /nfs/dbraw/zinc/04/68/89/343046889.db2.gz IICZABUZRTYBAK-QMMMGPOBSA-N 0 1 235.262 2.360 20 0 BEADMN Cc1cc(=O)n(CCCOCc2ccccc2)[nH]1 ZINC000634634713 343048616 /nfs/dbraw/zinc/04/86/16/343048616.db2.gz HOWABDJPLRQWFL-UHFFFAOYSA-N 0 1 246.310 2.202 20 0 BEADMN C[C@H]1CN(Cc2cnn(C)c2)C[C@H](C)C1(F)F ZINC000625647697 344025246 /nfs/dbraw/zinc/02/52/46/344025246.db2.gz GQTMNXUZJURLCE-UWVGGRQHSA-N 0 1 243.301 2.143 20 0 BEADMN Cc1cc(=O)n([C@H]2CCc3c2cccc3F)[nH]1 ZINC000634632032 343043443 /nfs/dbraw/zinc/04/34/43/343043443.db2.gz IELCWJZONLCNNC-LBPRGKRZSA-N 0 1 232.258 2.421 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@H]2CCOC2(C)C)[nH]1 ZINC000634632520 343043940 /nfs/dbraw/zinc/04/39/40/343043940.db2.gz TVSRIFOSXHIMME-ONGXEEELSA-N 0 1 238.331 2.188 20 0 BEADMN Cc1ccc(CNC[C@@H](O)C(F)F)c(Cl)c1 ZINC000235778576 343059341 /nfs/dbraw/zinc/05/93/41/343059341.db2.gz HQIOJJHIXRNMSH-SNVBAGLBSA-N 0 1 249.688 2.364 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000235903837 343066926 /nfs/dbraw/zinc/06/69/26/343066926.db2.gz MUYVDOUDUZRXPJ-JTQLQIEISA-N 0 1 237.274 2.041 20 0 BEADMN Cc1nnc([C@H](C)NCCCCCF)o1 ZINC000380097812 343092534 /nfs/dbraw/zinc/09/25/34/343092534.db2.gz KVATYOQMWDBQGS-QMMMGPOBSA-N 0 1 215.272 2.168 20 0 BEADMN CC(C)SCCNCc1nccs1 ZINC000379348676 343078611 /nfs/dbraw/zinc/07/86/11/343078611.db2.gz LMUZHLYJPAWXSH-UHFFFAOYSA-N 0 1 216.375 2.374 20 0 BEADMN CCNCc1cn(C/C=C\c2ccccc2)nn1 ZINC000640832165 362062188 /nfs/dbraw/zinc/06/21/88/362062188.db2.gz DGOHFYWEQUHEGG-TWGQIWQCSA-N 0 1 242.326 2.101 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2ccc(F)cc2)nn1 ZINC000640846602 362063655 /nfs/dbraw/zinc/06/36/55/362063655.db2.gz BYODKBQGUHONJB-UWVGGRQHSA-N 0 1 248.305 2.307 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2cccc(F)c2)nn1 ZINC000640992564 362104566 /nfs/dbraw/zinc/10/45/66/362104566.db2.gz WRSYFQIARXKHNP-ZJUUUORDSA-N 0 1 248.305 2.307 20 0 BEADMN CC[C@H](C)Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000640940541 362087565 /nfs/dbraw/zinc/08/75/65/362087565.db2.gz VPBJILTYIAABMX-SMDDNHRTSA-N 0 1 244.342 2.372 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccc(C)cc2C)nn1 ZINC000640943841 362089620 /nfs/dbraw/zinc/08/96/20/362089620.db2.gz CQNGMDTVNDJNJW-LBPRGKRZSA-N 0 1 244.342 2.224 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1O ZINC000270887879 187236678 /nfs/dbraw/zinc/23/66/78/187236678.db2.gz KXQFYSWGOSMSMA-BXKDBHETSA-N 0 1 241.281 2.168 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NCc2ccon2)CCO1 ZINC000634680185 343147203 /nfs/dbraw/zinc/14/72/03/343147203.db2.gz NGAIBLGGFAEETM-JQWIXIFHSA-N 0 1 238.331 2.358 20 0 BEADMN CCCCN(C)[C@@H](C)C(=O)Nc1nccs1 ZINC000058595721 136271869 /nfs/dbraw/zinc/27/18/69/136271869.db2.gz KLEYLOYFFLVQJZ-VIFPVBQESA-N 0 1 241.360 2.202 20 0 BEADMN CC1(C)SC[C@@H]1NCc1cn2ccccc2n1 ZINC000282598725 187241372 /nfs/dbraw/zinc/24/13/72/187241372.db2.gz CTNMRUPSBUIJOC-NSHDSACASA-N 0 1 247.367 2.318 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])o2)CC[C@@H]1C ZINC000130275824 343180833 /nfs/dbraw/zinc/18/08/33/343180833.db2.gz GFGSHFCUUYEMAE-UWVGGRQHSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000093955693 343151596 /nfs/dbraw/zinc/15/15/96/343151596.db2.gz VZGUDURRJZNVLQ-NSHDSACASA-N 0 1 233.311 2.412 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CCC2(C)C)n1 ZINC000576955071 365730882 /nfs/dbraw/zinc/73/08/82/365730882.db2.gz WOQZBWCIOZNZJR-VHSXEESVSA-N 0 1 235.331 2.330 20 0 BEADMN C[C@@H]1CCN(CC(=O)OC(C)(C)C)C[C@H]1C ZINC000245969337 136272468 /nfs/dbraw/zinc/27/24/68/136272468.db2.gz WBWUZEVRXFSVHO-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000162090914 323037395 /nfs/dbraw/zinc/03/73/95/323037395.db2.gz AEHRFRHVBVQWDJ-AXFHLTTASA-N 0 1 245.388 2.456 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000158010940 343200455 /nfs/dbraw/zinc/20/04/55/343200455.db2.gz YBNMSTJXFWXJLK-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000162068917 343205357 /nfs/dbraw/zinc/20/53/57/343205357.db2.gz ZOJVDIQQWDQPFS-NSHDSACASA-N 0 1 225.288 2.355 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1C ZINC000163845472 343207215 /nfs/dbraw/zinc/20/72/15/343207215.db2.gz WJVDNSNMQMVRFM-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN CCNCc1cn([C@@H](CC)c2ccccc2)nn1 ZINC000641014469 362130590 /nfs/dbraw/zinc/13/05/90/362130590.db2.gz ZBNMQRDKCBOZQT-AWEZNQCLSA-N 0 1 244.342 2.387 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000132572297 343188702 /nfs/dbraw/zinc/18/87/02/343188702.db2.gz JJGPPFVSLBWPNR-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c(C)c1 ZINC000086807412 136281158 /nfs/dbraw/zinc/28/11/58/136281158.db2.gz ROLHELKWMNVIMZ-LBPRGKRZSA-N 0 1 235.327 2.456 20 0 BEADMN CCc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1 ZINC000032013864 343227980 /nfs/dbraw/zinc/22/79/80/343227980.db2.gz NRVFFLDFYUQAOW-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000625340451 343240726 /nfs/dbraw/zinc/24/07/26/343240726.db2.gz CHHXKJGNSYAJDT-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C(C)(C)C)n1 ZINC000036764853 187249711 /nfs/dbraw/zinc/24/97/11/187249711.db2.gz KXGCANLJVFWDGV-MRVPVSSYSA-N 0 1 211.309 2.413 20 0 BEADMN CC[C@H]1CCCCN1CC(=O)c1cccn1C ZINC000035018576 343283225 /nfs/dbraw/zinc/28/32/25/343283225.db2.gz NNCTTYAEGAXGNE-LBPRGKRZSA-N 0 1 234.343 2.472 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)NC(C)(C)C ZINC000035124358 343285565 /nfs/dbraw/zinc/28/55/65/343285565.db2.gz QSJKXUUSBNDMKF-WDEREUQCSA-N 0 1 249.358 2.035 20 0 BEADMN CC[C@@]1(NCc2ncccc2Cl)CCOC1 ZINC000625368081 343260474 /nfs/dbraw/zinc/26/04/74/343260474.db2.gz ZQQWGSKWVVZFKE-GFCCVEGCSA-N 0 1 240.734 2.394 20 0 BEADMN Cc1cccc([C@H]2CC[N@@H+](CC3OCCO3)C2)c1 ZINC000273130756 187337116 /nfs/dbraw/zinc/33/71/16/187337116.db2.gz SYYODCYCPOWNFT-AWEZNQCLSA-N 0 1 247.338 2.157 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690323 343274298 /nfs/dbraw/zinc/27/42/98/343274298.db2.gz IRAAOSHAZZDBLD-GFCCVEGCSA-N 0 1 237.299 2.163 20 0 BEADMN C[C@@H](CCc1ccco1)NCc1csnn1 ZINC000036902088 343327289 /nfs/dbraw/zinc/32/72/89/343327289.db2.gz SJDYFTKYRDNMAG-VIFPVBQESA-N 0 1 237.328 2.242 20 0 BEADMN CN(Cc1cccc2c1OCO2)[C@@H]1CCCOC1 ZINC000348715127 136294281 /nfs/dbraw/zinc/29/42/81/136294281.db2.gz ONHKKOFMGMDCOV-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000070158095 343303203 /nfs/dbraw/zinc/30/32/03/343303203.db2.gz KGWHUPNOWBDCNS-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H]3CC34CC4)c2[nH]1 ZINC000584049121 343306890 /nfs/dbraw/zinc/30/68/90/343306890.db2.gz ZITOOCXFMMWRDK-NSHDSACASA-N 0 1 241.294 2.154 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCC(C)(F)F)C1CCC1 ZINC000584064726 343312585 /nfs/dbraw/zinc/31/25/85/343312585.db2.gz LFCMOSDHSRRLLI-QMMMGPOBSA-N 0 1 235.274 2.359 20 0 BEADMN COC(=O)c1occc1CN1CCC[C@@H]1C1CC1 ZINC000609133677 343314720 /nfs/dbraw/zinc/31/47/20/343314720.db2.gz RQNYMGCPLOHERK-GFCCVEGCSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1ccoc1CN1CCC[C@H]1C1CC1 ZINC000609133554 343314852 /nfs/dbraw/zinc/31/48/52/343314852.db2.gz HMAXWFGNRQIHJQ-LBPRGKRZSA-N 0 1 249.310 2.441 20 0 BEADMN Cc1noc([C@@H]2CCCN2C[C@H]2C[C@H]2C)n1 ZINC000348817324 136298828 /nfs/dbraw/zinc/29/88/28/136298828.db2.gz OBAQNKKTXJQIFZ-IEBDPFPHSA-N 0 1 221.304 2.171 20 0 BEADMN Cc1ccsc1C(=O)NCc1cn[nH]c1C ZINC000037990288 343364263 /nfs/dbraw/zinc/36/42/63/343364263.db2.gz ORMZYTGUFNHYSG-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cccn1C(C)C ZINC000038012079 343365473 /nfs/dbraw/zinc/36/54/73/343365473.db2.gz ZMEZNUNYFVWAHQ-UHFFFAOYSA-N 0 1 246.314 2.031 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)c2ccccc2C)n[nH]1 ZINC000335631251 136300067 /nfs/dbraw/zinc/30/00/67/136300067.db2.gz NJFLVJAHGHWHCM-XYZCENFISA-N 0 1 249.339 2.290 20 0 BEADMN CCc1nc(CN[C@@H](CC)COC)cs1 ZINC000070658473 343337804 /nfs/dbraw/zinc/33/78/04/343337804.db2.gz IUBKXFJLBDCAKK-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN CCCC[N@@H+](C)CCCCCC(=O)[O-] ZINC000070652389 343337989 /nfs/dbraw/zinc/33/79/89/343337989.db2.gz OKCQEIMZDMGGSN-UHFFFAOYSA-N 0 1 201.310 2.363 20 0 BEADMN COC1CC(N[C@H](C)c2c(F)cncc2F)C1 ZINC000348837091 136301931 /nfs/dbraw/zinc/30/19/31/136301931.db2.gz GOQLFJIUVBXBLO-AFPNSQJFSA-N 0 1 242.269 2.188 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000348839862 136301986 /nfs/dbraw/zinc/30/19/86/136301986.db2.gz YUXNQKDGMSTAPM-NSHDSACASA-N 0 1 239.363 2.105 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc2cccc(C)n12 ZINC000348837115 136302312 /nfs/dbraw/zinc/30/23/12/136302312.db2.gz GXSBBEDCQZWBQD-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN CC(C)C[C@H](C)Nc1ncnc2[nH]cnc21 ZINC000037265125 343342305 /nfs/dbraw/zinc/34/23/05/343342305.db2.gz IQXZCORHYRWKBN-QMMMGPOBSA-N 0 1 219.292 2.199 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cnc[nH]2)C1 ZINC000335675586 136318137 /nfs/dbraw/zinc/31/81/37/136318137.db2.gz WIAAXURFJYNROE-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2nccn2C)C1 ZINC000335676342 136318763 /nfs/dbraw/zinc/31/87/63/136318763.db2.gz OQCGKJNTONYNQI-GFCCVEGCSA-N 0 1 221.348 2.288 20 0 BEADMN c1cc(CNc2cc3c(cn2)CCCC3)c[nH]1 ZINC000335677065 136319254 /nfs/dbraw/zinc/31/92/54/136319254.db2.gz KRZIMHDHCXADEZ-UHFFFAOYSA-N 0 1 227.311 2.323 20 0 BEADMN CCNCc1cn([C@H](C)c2cccc(C)c2)nn1 ZINC000641075746 362185148 /nfs/dbraw/zinc/18/51/48/362185148.db2.gz XGXWAQXCJKHCDP-GFCCVEGCSA-N 0 1 244.342 2.305 20 0 BEADMN CCc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC000335697613 136327236 /nfs/dbraw/zinc/32/72/36/136327236.db2.gz RQNCPTUNYRWQLU-CHWSQXEVSA-N 0 1 247.386 2.168 20 0 BEADMN COc1c(O)cccc1CN[C@H]1C[C@H]1C(F)F ZINC000349034314 136320414 /nfs/dbraw/zinc/32/04/14/136320414.db2.gz OBLZDNWGLJSMCY-BDAKNGLRSA-N 0 1 243.253 2.144 20 0 BEADMN CC(C)C1(C)CCN(Cc2cn(C)nn2)CC1 ZINC000335720187 136345392 /nfs/dbraw/zinc/34/53/92/136345392.db2.gz SUKQYZIAAZGQJS-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(Cc3nccn3C)C2)C1 ZINC000335736783 136350706 /nfs/dbraw/zinc/35/07/06/136350706.db2.gz AKFZFZBVEDMDGO-TZMCWYRMSA-N 0 1 233.359 2.432 20 0 BEADMN CC(C)=CCN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000335683193 136329280 /nfs/dbraw/zinc/32/92/80/136329280.db2.gz TYKGXUJQBLNSDQ-KGLIPLIRSA-N 0 1 239.359 2.223 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)c2ccc[nH]2)c1 ZINC000335685146 136329764 /nfs/dbraw/zinc/32/97/64/136329764.db2.gz QQWVWXWJMOEUMR-UHFFFAOYSA-N 0 1 244.250 2.175 20 0 BEADMN CNC(C)(C)c1cn(CCCC2CCC2)nn1 ZINC000641089285 362212710 /nfs/dbraw/zinc/21/27/10/362212710.db2.gz SUPFXJSHDMRDFS-UHFFFAOYSA-N 0 1 236.363 2.313 20 0 BEADMN Cc1nnc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000042123341 343429733 /nfs/dbraw/zinc/42/97/33/343429733.db2.gz OALFYHAUOZEOJY-MRVPVSSYSA-N 0 1 221.304 2.141 20 0 BEADMN CC1CCC(CC(=O)N2CCN[C@H](C)C2)CC1 ZINC000335700329 136333435 /nfs/dbraw/zinc/33/34/35/136333435.db2.gz VMYXLOQHEDTJSS-OTTFEQOBSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000335704473 136335205 /nfs/dbraw/zinc/33/52/05/136335205.db2.gz DIOJVAJFRMACAH-JTQLQIEISA-N 0 1 233.315 2.302 20 0 BEADMN CCc1cccc(F)c1CN(C)[C@@H](C)CO ZINC000349286039 136336177 /nfs/dbraw/zinc/33/61/77/136336177.db2.gz TUINESVZJIDKPY-JTQLQIEISA-N 0 1 225.307 2.201 20 0 BEADMN CCCCOCCNCc1cn2ccccc2n1 ZINC000042273811 343433504 /nfs/dbraw/zinc/43/35/04/343433504.db2.gz SZIZOKZBAJQLBJ-UHFFFAOYSA-N 0 1 247.342 2.241 20 0 BEADMN COc1cc(F)ccc1NCc1cn[nH]c1C ZINC000042351587 343434876 /nfs/dbraw/zinc/43/48/76/343434876.db2.gz ZQSZVOOIVPDBLL-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN C[C@H]1C[C@@H](N(C)C(=O)CC2(C)CC2)CC[N@H+]1C ZINC000335720026 136340876 /nfs/dbraw/zinc/34/08/76/136340876.db2.gz GYLYYGQIJVHRPL-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335842935 136354503 /nfs/dbraw/zinc/35/45/03/136354503.db2.gz FRSVHNFYJGOAIT-JQWIXIFHSA-N 0 1 247.342 2.162 20 0 BEADMN CC(C)n1cc(CN2[C@H](C)C[C@@H]2C)cn1 ZINC000335850547 136355361 /nfs/dbraw/zinc/35/53/61/136355361.db2.gz VMCQJLTYWZOFTB-PHIMTYICSA-N 0 1 207.321 2.447 20 0 BEADMN Cc1nnc(C[N@H+]2CCCC23CCCCC3)[nH]1 ZINC000335877304 136356473 /nfs/dbraw/zinc/35/64/73/136356473.db2.gz SITRHSQIKAICSU-UHFFFAOYSA-N 0 1 234.347 2.412 20 0 BEADMN CCSCC[N@H+]1CCOCC12CCCC2 ZINC000367103902 136357753 /nfs/dbraw/zinc/35/77/53/136357753.db2.gz UAXIYAPYKBUHBF-UHFFFAOYSA-N 0 1 229.389 2.385 20 0 BEADMN OCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000350663934 136362570 /nfs/dbraw/zinc/36/25/70/136362570.db2.gz XLCFAEYQQUKRRS-SREVYHEPSA-N 0 1 247.323 2.060 20 0 BEADMN Cc1ccc(CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374090177 178534233 /nfs/dbraw/zinc/53/42/33/178534233.db2.gz APQCEWMJQOEBOD-GASCZTMLSA-N 0 1 231.339 2.401 20 0 BEADMN CC(C)[C@@H]1CN(CCOC(C)(C)C)CCO1 ZINC000351101199 136367511 /nfs/dbraw/zinc/36/75/11/136367511.db2.gz NYWQQQAVMYOLFC-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)OCCCN1CCO[C@H](C(C)C)C1 ZINC000351196298 136368596 /nfs/dbraw/zinc/36/85/96/136368596.db2.gz AYULTCUHSLPUFO-ZDUSSCGKSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000351500689 136368786 /nfs/dbraw/zinc/36/87/86/136368786.db2.gz VEIYOZPADRJLSI-SECBINFHSA-N 0 1 244.298 2.000 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000082717526 343461276 /nfs/dbraw/zinc/46/12/76/343461276.db2.gz QGYHWCJFUFFEPU-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN C[C@@H]1CC(NCc2csnn2)C[C@@H](C)C1 ZINC000082834886 343468203 /nfs/dbraw/zinc/46/82/03/343468203.db2.gz DVNUILHZZVOMGC-IUCAKERBSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CC[C@H](NCc2csnn2)C[C@@H]1C ZINC000082845813 343468427 /nfs/dbraw/zinc/46/84/27/343468427.db2.gz LGYTWVWIFBAVRJ-UTLUCORTSA-N 0 1 225.361 2.452 20 0 BEADMN CC[N@H+](CC(=O)[O-])CC1CCC(C)CC1 ZINC000084340145 343529329 /nfs/dbraw/zinc/52/93/29/343529329.db2.gz LFSJSULMKFOCCD-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H]1CC[C@@H]1NCc1nnc(C)s1 ZINC000379580890 343577231 /nfs/dbraw/zinc/57/72/31/343577231.db2.gz ZZLZCEQCNOMLNU-IUCAKERBSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1ccc(CN(C)Cc2cn[nH]c2)s1 ZINC000678237684 488222758 /nfs/dbraw/zinc/22/27/58/488222758.db2.gz KVXNUJHTTBMQLK-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CCc1nnc(SC[C@H]2CCC[C@@H](O)C2)[nH]1 ZINC000488229376 529744432 /nfs/dbraw/zinc/74/44/32/529744432.db2.gz GQQSFDPWJUOHOZ-DTWKUNHWSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCC[C@@H](O)C2)n1 ZINC000488229376 529744433 /nfs/dbraw/zinc/74/44/33/529744433.db2.gz GQQSFDPWJUOHOZ-DTWKUNHWSA-N 0 1 241.360 2.010 20 0 BEADMN CCCCN(C)CC(=O)Nc1ccccc1 ZINC000048614880 343584477 /nfs/dbraw/zinc/58/44/77/343584477.db2.gz YCVOVIMINQHRLH-UHFFFAOYSA-N 0 1 220.316 2.357 20 0 BEADMN Cc1ccc(C)c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000049257341 343594839 /nfs/dbraw/zinc/59/48/39/343594839.db2.gz GTYVEKMUEQDOSY-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CCN(C(=O)c1cn[nH]c1C)c1ccccc1 ZINC000070983019 343580241 /nfs/dbraw/zinc/58/02/41/343580241.db2.gz JNGTTWNRGXNWQC-UHFFFAOYSA-N 0 1 229.283 2.385 20 0 BEADMN CC1(C)C(CNCc2csnn2)C1(C)C ZINC000086239515 343615477 /nfs/dbraw/zinc/61/54/77/343615477.db2.gz HWNKFNUHLJSHPS-UHFFFAOYSA-N 0 1 225.361 2.310 20 0 BEADMN C[N@@H+](CCO)CCCOc1ccc(Cl)cc1 ZINC000049633982 343604899 /nfs/dbraw/zinc/60/48/99/343604899.db2.gz REHXWIJOCUDJJN-UHFFFAOYSA-N 0 1 243.734 2.033 20 0 BEADMN Cc1cccc(C(=O)N(C)Cc2cnc[nH]2)c1F ZINC000622745294 343606047 /nfs/dbraw/zinc/60/60/47/343606047.db2.gz GJMCZZRSBFDRPE-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1F ZINC000622745872 343606246 /nfs/dbraw/zinc/60/62/46/343606246.db2.gz YMZHDNSCLYRPKR-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697180 343644518 /nfs/dbraw/zinc/64/45/18/343644518.db2.gz BWSXCQMKXXJCSE-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CC(=O)N(CC)CC ZINC000058874241 343703051 /nfs/dbraw/zinc/70/30/51/343703051.db2.gz MGVAOHKWDAYMRR-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CN(Cc1ccccc1Cl)C(=O)c1ccn[nH]1 ZINC000047989138 343686384 /nfs/dbraw/zinc/68/63/84/343686384.db2.gz NVBDMVPVHWPXNW-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN CC(C)N(C)c1ccc(CN[C@@H](C)CF)cn1 ZINC000288569009 187347597 /nfs/dbraw/zinc/34/75/97/187347597.db2.gz ZLGZADQMAWYJQF-NSHDSACASA-N 0 1 239.338 2.374 20 0 BEADMN Fc1c(Cl)cccc1CN[C@H]1CCOC1 ZINC000088737327 343730416 /nfs/dbraw/zinc/73/04/16/343730416.db2.gz BGGVHDJFAAWFQT-VIFPVBQESA-N 0 1 229.682 2.358 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000584172441 343768702 /nfs/dbraw/zinc/76/87/02/343768702.db2.gz PQCVDHWUKVWNOM-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](NC(=O)CN1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000625448764 343774413 /nfs/dbraw/zinc/77/44/13/343774413.db2.gz POJJNZQYZFNUDH-UPJWGTAASA-N 0 1 246.354 2.204 20 0 BEADMN CC(=O)[C@@H](C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000292457990 187349607 /nfs/dbraw/zinc/34/96/07/187349607.db2.gz ORAKDXKALMPPAV-MRVPVSSYSA-N 0 1 241.360 2.313 20 0 BEADMN CC[C@@H](CSC)[N@H+](C)Cc1ncccc1[O-] ZINC000584224021 343777301 /nfs/dbraw/zinc/77/73/01/343777301.db2.gz CSABHIRPCSJXON-JTQLQIEISA-N 0 1 240.372 2.361 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)Cc1ncccc1[O-] ZINC000584224021 343777304 /nfs/dbraw/zinc/77/73/04/343777304.db2.gz CSABHIRPCSJXON-JTQLQIEISA-N 0 1 240.372 2.361 20 0 BEADMN CC(C)[N@@H+](CC[C@H](O)c1ccccc1)C1COC1 ZINC000295520031 187350894 /nfs/dbraw/zinc/35/08/94/187350894.db2.gz UPUTVWQGACHYTN-HNNXBMFYSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)N(CC[C@H](O)c1ccccc1)C1COC1 ZINC000295520031 187350896 /nfs/dbraw/zinc/35/08/96/187350896.db2.gz UPUTVWQGACHYTN-HNNXBMFYSA-N 0 1 249.354 2.219 20 0 BEADMN Cn1ccc(CN2C3CCCC2CCC3)n1 ZINC000678278600 488235370 /nfs/dbraw/zinc/23/53/70/488235370.db2.gz CKFZKMNLXUBJLL-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN CN(CCCCO)Cc1ccc(Cl)o1 ZINC000471821391 529884947 /nfs/dbraw/zinc/88/49/47/529884947.db2.gz LEAGKVPHMHNQKR-UHFFFAOYSA-N 0 1 217.696 2.137 20 0 BEADMN CC[C@H](N[C@H](C)c1ncc[nH]1)[C@@H]1CCCO1 ZINC000336680562 537823798 /nfs/dbraw/zinc/82/37/98/537823798.db2.gz CTKKHVUGUDUDKO-VWYCJHECSA-N 0 1 223.320 2.018 20 0 BEADMN CC[C@H]1C[C@@H](CNCC(C)(F)F)CCO1 ZINC000393495756 343882773 /nfs/dbraw/zinc/88/27/73/343882773.db2.gz VXRGXYSSCBZYPX-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN COc1cncc(CN(C)C2CC(C)(C)C2)n1 ZINC000625468172 343872585 /nfs/dbraw/zinc/87/25/85/343872585.db2.gz SRLGEXMNGNDLMJ-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN COc1cncc(C[N@H+]2CC(C)(C)C[C@H]2C)n1 ZINC000625473706 343873278 /nfs/dbraw/zinc/87/32/78/343873278.db2.gz ZFOSZBCZWMBXAQ-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN COc1cncc(CN2CC(C)(C)C[C@H]2C)n1 ZINC000625473706 343873279 /nfs/dbraw/zinc/87/32/79/343873279.db2.gz ZFOSZBCZWMBXAQ-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1ccc(F)cc1CN1CCN(C2CC2)CC1 ZINC000179917240 347003395 /nfs/dbraw/zinc/00/33/95/347003395.db2.gz CNKVTLQJIWKEBW-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN CCC[C@H](C)CCCN1CCO[C@@H]([C@H](C)O)C1 ZINC000625471346 343874724 /nfs/dbraw/zinc/87/47/24/343874724.db2.gz JOTQPNGSHGBTDO-MELADBBJSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@H](C)N1CCO[C@@H](c2ccco2)C1 ZINC000248372659 537832135 /nfs/dbraw/zinc/83/21/35/537832135.db2.gz BLJODMSZHXJVIG-CMPLNLGQSA-N 0 1 209.289 2.451 20 0 BEADMN CCN(Cc1ccoc1C(=O)OC)CC1CC1 ZINC000070013202 343946549 /nfs/dbraw/zinc/94/65/49/343946549.db2.gz OARWOCLFXMBNPM-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000068875485 343928113 /nfs/dbraw/zinc/92/81/13/343928113.db2.gz XCDUVVIVPFUTDV-NSHDSACASA-N 0 1 247.260 2.432 20 0 BEADMN CCCCN(CCO)Cc1cnc(C2CC2)o1 ZINC000628119381 343970708 /nfs/dbraw/zinc/97/07/08/343970708.db2.gz PCXDJXYMALIUSA-UHFFFAOYSA-N 0 1 238.331 2.146 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000619361229 343948639 /nfs/dbraw/zinc/94/86/39/343948639.db2.gz SJJXKURVHNLDPV-QWRGUYRKSA-N 0 1 247.342 2.324 20 0 BEADMN C[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H](C)O1 ZINC000628117420 343966569 /nfs/dbraw/zinc/96/65/69/343966569.db2.gz IHGSEXQJGPOERZ-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Oc1ccc2c(c1)CN(CC[C@@H]1CCCO1)C2 ZINC000625728164 344059467 /nfs/dbraw/zinc/05/94/67/344059467.db2.gz XLLURTMHCNCHQT-AWEZNQCLSA-N 0 1 233.311 2.277 20 0 BEADMN Cn1cncc1CN1CCCC(F)(F)CC1 ZINC000625768177 344069136 /nfs/dbraw/zinc/06/91/36/344069136.db2.gz GPWPWHDUQUTMHB-UHFFFAOYSA-N 0 1 229.274 2.041 20 0 BEADMN Cn1cc(CN2CCCC(F)(F)CC2)cn1 ZINC000625768242 344069417 /nfs/dbraw/zinc/06/94/17/344069417.db2.gz GDLVCWHUWBEHGL-UHFFFAOYSA-N 0 1 229.274 2.041 20 0 BEADMN CC(C)=CCN1CCO[C@@H](C(F)F)CC1 ZINC000634734755 344115926 /nfs/dbraw/zinc/11/59/26/344115926.db2.gz NPAWNWPLSRRNAU-SNVBAGLBSA-N 0 1 219.275 2.309 20 0 BEADMN OCc1ccc(F)c(CN(C2CC2)C2CC2)c1 ZINC000625843089 344094313 /nfs/dbraw/zinc/09/43/13/344094313.db2.gz YVDRVIWZQNLKIL-UHFFFAOYSA-N 0 1 235.302 2.445 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299895471 344119153 /nfs/dbraw/zinc/11/91/53/344119153.db2.gz HQJUHXMQIXKWGY-BJDJZHNGSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)(C)OCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000625851024 344119738 /nfs/dbraw/zinc/11/97/38/344119738.db2.gz KKYRYDSJYFKVCO-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)C[N@@H+](CCc2ccncc2)CCS1 ZINC000083419373 344176078 /nfs/dbraw/zinc/17/60/78/344176078.db2.gz USQGIMVLYQSARI-UHFFFAOYSA-N 0 1 236.384 2.452 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000157030510 344153125 /nfs/dbraw/zinc/15/31/25/344153125.db2.gz QPJFJEMSQISEJY-ZDUSSCGKSA-N 0 1 248.326 2.038 20 0 BEADMN CCc1noc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000309968829 344154065 /nfs/dbraw/zinc/15/40/65/344154065.db2.gz OOWBQJJRIUGLBQ-ZJUUUORDSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1nc(CN(C[C@@H]2CCOC2)C2CC2)[nH]c1C ZINC000628131121 344161175 /nfs/dbraw/zinc/16/11/75/344161175.db2.gz RKUQTJSLMYNWTD-LBPRGKRZSA-N 0 1 249.358 2.027 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](CCn1cncn1)C1CC1 ZINC000086234160 344213625 /nfs/dbraw/zinc/21/36/25/344213625.db2.gz ZHCLOXDMPJGSFM-NSHDSACASA-N 0 1 246.314 2.097 20 0 BEADMN C[C@@H](c1ccco1)N(CCn1cncn1)C1CC1 ZINC000086234160 344213627 /nfs/dbraw/zinc/21/36/27/344213627.db2.gz ZHCLOXDMPJGSFM-NSHDSACASA-N 0 1 246.314 2.097 20 0 BEADMN CC[C@@H](O)CCCN[C@@H](C)c1nccs1 ZINC000130173035 344218520 /nfs/dbraw/zinc/21/85/20/344218520.db2.gz VWCYGWLPJSZGJS-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccncc2Cl)[C@H](C)O1 ZINC000384869175 344191900 /nfs/dbraw/zinc/19/19/00/344191900.db2.gz IFEFNDROZMNEBB-PTRXPTGYSA-N 0 1 240.734 2.391 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000098103730 344282260 /nfs/dbraw/zinc/28/22/60/344282260.db2.gz CYFFLWBLHWLBQJ-VHSXEESVSA-N 0 1 249.358 2.453 20 0 BEADMN CCOCCN(CC)Cc1ccc(COC)o1 ZINC000092537580 344298027 /nfs/dbraw/zinc/29/80/27/344298027.db2.gz DMZPJBNOHCNCDX-UHFFFAOYSA-N 0 1 241.331 2.284 20 0 BEADMN CC(C)C[N@@H+](Cc1cnc2cnccn12)C1CC1 ZINC000092008792 344287742 /nfs/dbraw/zinc/28/77/42/344287742.db2.gz YEJBCOIOQAEHJG-UHFFFAOYSA-N 0 1 244.342 2.350 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000088795801 344241810 /nfs/dbraw/zinc/24/18/10/344241810.db2.gz KWSNUBVTCBFXKF-CYBMUJFWSA-N 0 1 233.311 2.290 20 0 BEADMN CC[N@@H+](Cc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000088795658 344241816 /nfs/dbraw/zinc/24/18/16/344241816.db2.gz JARMVALRUDJOJB-ZDUSSCGKSA-N 0 1 233.311 2.372 20 0 BEADMN CS[C@@H]1CCC[C@@H](NCc2csnn2)C1 ZINC000133188256 344314825 /nfs/dbraw/zinc/31/48/25/344314825.db2.gz GFIYXWKWQIQAMP-PSASIEDQSA-N 0 1 243.401 2.302 20 0 BEADMN C[C@H](CN(C)c1ccncc1C(N)=O)C(C)(C)C ZINC000634807467 344392076 /nfs/dbraw/zinc/39/20/76/344392076.db2.gz NLUVBQNUQHHLBK-SNVBAGLBSA-N 0 1 249.358 2.299 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)Cc1ccccc1 ZINC000215658104 344393692 /nfs/dbraw/zinc/39/36/92/344393692.db2.gz HYRSVVYILKKXNE-FLIBITNWSA-N 0 1 219.284 2.149 20 0 BEADMN CCOC[C@@H](N[C@@H](C)c1ncc[nH]1)C(C)C ZINC000336768239 537844767 /nfs/dbraw/zinc/84/47/67/537844767.db2.gz QQJZBTUELWSUAF-WDEREUQCSA-N 0 1 225.336 2.121 20 0 BEADMN Cc1nc(CNC[C@@H]2CCCCO2)cs1 ZINC000042372959 344450992 /nfs/dbraw/zinc/45/09/92/344450992.db2.gz FSGBFYOWRLGCCY-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN CCN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000104950242 344462279 /nfs/dbraw/zinc/46/22/79/344462279.db2.gz PJCNNOFDIAJJAW-CYBMUJFWSA-N 0 1 220.316 2.083 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCc1ccccc1 ZINC000042717071 344465867 /nfs/dbraw/zinc/46/58/67/344465867.db2.gz LGPCHTHVOPQOHY-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN CC1(C)C[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000381224189 344487601 /nfs/dbraw/zinc/48/76/01/344487601.db2.gz JJRRUDSQRZWJEP-LBPRGKRZSA-N 0 1 215.300 2.451 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H](N)c1ccccc1 ZINC000037173418 344497366 /nfs/dbraw/zinc/49/73/66/344497366.db2.gz AZUPSRVDCAYZIB-YPMHNXCESA-N 0 1 234.343 2.191 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000097850422 178683693 /nfs/dbraw/zinc/68/36/93/178683693.db2.gz YQKPWORVHZBTNH-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN COCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000215717321 349912975 /nfs/dbraw/zinc/91/29/75/349912975.db2.gz ZFCSZFAMCKGVJQ-TWGQIWQCSA-N 0 1 205.301 2.278 20 0 BEADMN Cc1ccc(CNCc2ccnn2C)s1 ZINC000047892339 344582410 /nfs/dbraw/zinc/58/24/10/344582410.db2.gz QPITZMMJUQDLBY-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN COC(=O)CCN1CCc2sccc2[C@H]1C ZINC000049538411 344652100 /nfs/dbraw/zinc/65/21/00/344652100.db2.gz IVBCOVBYJSSFFT-SECBINFHSA-N 0 1 239.340 2.230 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000152699018 344659167 /nfs/dbraw/zinc/65/91/67/344659167.db2.gz JCRHJSFDNDOEKI-GARJFASQSA-N 0 1 235.331 2.425 20 0 BEADMN CC(C)CCCN1CCO[C@H](CCF)C1 ZINC000626006285 344665002 /nfs/dbraw/zinc/66/50/02/344665002.db2.gz VDGYLAMBYMJTPH-GFCCVEGCSA-N 0 1 217.328 2.483 20 0 BEADMN FCC[C@H]1CN(CC[C@@H]2CCCCO2)CCO1 ZINC000626005200 344667500 /nfs/dbraw/zinc/66/75/00/344667500.db2.gz XSMCGDDIXXWYCF-STQMWFEESA-N 0 1 245.338 2.006 20 0 BEADMN FCC[C@@H]1CN(CC2=CCCC2)CCO1 ZINC000626005792 344668255 /nfs/dbraw/zinc/66/82/55/344668255.db2.gz KLIYTCRSPBUTLZ-GFCCVEGCSA-N 0 1 213.296 2.157 20 0 BEADMN Cc1cc(CCN[C@@H](C)c2cscn2)on1 ZINC000309455103 347066158 /nfs/dbraw/zinc/06/61/58/347066158.db2.gz NLRPABQBVLAMNY-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN Cc1ccc(CNC(=O)[C@H]2CCCCN2C)cc1 ZINC000082312579 344737521 /nfs/dbraw/zinc/73/75/21/344737521.db2.gz KHZUISAHEURXAM-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103669 344743722 /nfs/dbraw/zinc/74/37/22/344743722.db2.gz LAMQCNUXUWJSAD-JSGCOSHPSA-N 0 1 248.374 2.371 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(F)cn1 ZINC000309457175 347066714 /nfs/dbraw/zinc/06/67/14/347066714.db2.gz MUZOEMNSYCHEJG-JFUSQASVSA-N 0 1 224.279 2.049 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000082321223 344750168 /nfs/dbraw/zinc/75/01/68/344750168.db2.gz POSQNTSKAITHEH-ZDUSSCGKSA-N 0 1 232.327 2.418 20 0 BEADMN COC(=O)CN(CCC(C)(C)C)C(C)C ZINC000050063736 344717542 /nfs/dbraw/zinc/71/75/42/344717542.db2.gz DCMILYIZXORFDB-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN CCc1nc(CSc2ccccc2O)n[nH]1 ZINC000181758813 347072152 /nfs/dbraw/zinc/07/21/52/347072152.db2.gz JCFIGGZZNCJVGL-UHFFFAOYSA-N 0 1 235.312 2.365 20 0 BEADMN CCc1noc([C@H](C)N2C[C@@H](C)[C@H](C)C2)n1 ZINC000076112546 344796143 /nfs/dbraw/zinc/79/61/43/344796143.db2.gz CNYHOVJHGAVRJQ-BBBLOLIVSA-N 0 1 223.320 2.281 20 0 BEADMN CC(C)Cc1noc(CN2C[C@H](C)[C@@H](C)C2)n1 ZINC000076114202 344797053 /nfs/dbraw/zinc/79/70/53/344797053.db2.gz GNWJDEPCLNABEG-QWRGUYRKSA-N 0 1 237.347 2.356 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1nc(C)c[nH]1 ZINC000628141777 344807953 /nfs/dbraw/zinc/80/79/53/344807953.db2.gz FCSHTHWZAGIUKN-UHFFFAOYSA-N 0 1 239.363 2.355 20 0 BEADMN CCC(CC)N(CCOC)Cc1nc(C)c[nH]1 ZINC000628141777 344807955 /nfs/dbraw/zinc/80/79/55/344807955.db2.gz FCSHTHWZAGIUKN-UHFFFAOYSA-N 0 1 239.363 2.355 20 0 BEADMN Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCCO2)on1 ZINC000076712455 344808558 /nfs/dbraw/zinc/80/85/58/344808558.db2.gz RIOILFWIUWUDJT-RYUDHWBXSA-N 0 1 236.315 2.299 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1nccc(OC)n1 ZINC000583362904 344809351 /nfs/dbraw/zinc/80/93/51/344809351.db2.gz JXQFDRPOQOXOBE-WDEREUQCSA-N 0 1 235.331 2.154 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(F)(F)F)CCS1 ZINC000077281910 344814861 /nfs/dbraw/zinc/81/48/61/344814861.db2.gz AZUXXDBFLICEPO-SSDOTTSWSA-N 0 1 213.268 2.376 20 0 BEADMN C[C@@H]1CN(CCC(F)(F)F)CCS1 ZINC000077281910 344814863 /nfs/dbraw/zinc/81/48/63/344814863.db2.gz AZUXXDBFLICEPO-SSDOTTSWSA-N 0 1 213.268 2.376 20 0 BEADMN C[C@@H]1CCCN(CC(=O)OC(C)(C)C)CC1 ZINC000068830720 133529533 /nfs/dbraw/zinc/52/95/33/133529533.db2.gz MPLXFNLEIOXOOM-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)NC(=O)CNC1(c2ccccc2)CC1 ZINC000077378394 344818044 /nfs/dbraw/zinc/81/80/44/344818044.db2.gz IPWBTOFIZBGRNX-UHFFFAOYSA-N 0 1 246.354 2.180 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@]1(C)CCCS1 ZINC000628170143 344885163 /nfs/dbraw/zinc/88/51/63/344885163.db2.gz RWXNISWFPOVFPJ-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC000249116846 537871366 /nfs/dbraw/zinc/87/13/66/537871366.db2.gz SKAXGMBKNFXYEQ-IJLUTSLNSA-N 0 1 249.358 2.283 20 0 BEADMN COC1CCC(N(C)Cc2nc(C)c[nH]2)CC1 ZINC000628175811 344899927 /nfs/dbraw/zinc/89/99/27/344899927.db2.gz KUYACSYSTLMSLY-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000628178702 344912534 /nfs/dbraw/zinc/91/25/34/344912534.db2.gz YOCUPJKETLGAGJ-UWVGGRQHSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1c[nH]c(CN2CCCC3(CCOCC3)C2)n1 ZINC000628177884 344907056 /nfs/dbraw/zinc/90/70/56/344907056.db2.gz RMXXXTYICMTUSW-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN CC(C)c1nnc(CN2CC[C@@H]3CCC[C@@H]32)n1C ZINC000336105670 534976998 /nfs/dbraw/zinc/97/69/98/534976998.db2.gz VRPTWZHRUWDXTD-RYUDHWBXSA-N 0 1 248.374 2.313 20 0 BEADMN CC[C@H]1CN(Cc2cnc(C)o2)CCS1 ZINC000628179324 344914099 /nfs/dbraw/zinc/91/40/99/344914099.db2.gz WCOBVEBCDDMWMI-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN CCCCCN(C(=O)c1ccn[nH]1)C(C)C ZINC000078870123 344915856 /nfs/dbraw/zinc/91/58/56/344915856.db2.gz GULZRLFLHHDLRZ-UHFFFAOYSA-N 0 1 223.320 2.451 20 0 BEADMN Cc1nc(CN2CCC[C@@H]3COCC[C@H]32)[nH]c1C ZINC000628189992 344942194 /nfs/dbraw/zinc/94/21/94/344942194.db2.gz SISYUFCSOOVPTI-CHWSQXEVSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1nc(CN2[C@H](C)CC[C@H]2C)[nH]c1C ZINC000628191069 344944988 /nfs/dbraw/zinc/94/49/88/344944988.db2.gz YFIKZTQXKFBSAZ-RKDXNWHRSA-N 0 1 207.321 2.399 20 0 BEADMN CC(C)C[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000135148836 187298710 /nfs/dbraw/zinc/29/87/10/187298710.db2.gz FAMSMOIJIMCCHA-LBPRGKRZSA-N 0 1 248.374 2.317 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cncc(C)c1 ZINC000079577283 344991908 /nfs/dbraw/zinc/99/19/08/344991908.db2.gz WOUJYHCHKZAORR-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN CC[C@H](CSC)NCc1cscn1 ZINC000162164413 345022480 /nfs/dbraw/zinc/02/24/80/345022480.db2.gz LEKDKHAHRWGXJE-MRVPVSSYSA-N 0 1 216.375 2.374 20 0 BEADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](O)C1 ZINC000155050557 345064558 /nfs/dbraw/zinc/06/45/58/345064558.db2.gz WDLDKIOERQPSRL-MFKMUULPSA-N 0 1 241.281 2.483 20 0 BEADMN CCCC[C@H](CC)CC(=O)N1CCN[C@@H](C)C1 ZINC000155093982 345067437 /nfs/dbraw/zinc/06/74/37/345067437.db2.gz RJNCTUSZRXWJGZ-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@@H](CC)CC(=O)N1CCN[C@H](C)C1 ZINC000155093664 345067765 /nfs/dbraw/zinc/06/77/65/345067765.db2.gz RJNCTUSZRXWJGZ-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CC1(C)[C@H](CNCc2ccon2)C1(F)F ZINC000634986762 345172612 /nfs/dbraw/zinc/17/26/12/345172612.db2.gz CYAIDDWJWFDKHG-QMMMGPOBSA-N 0 1 216.231 2.056 20 0 BEADMN C[C@@H](CNCc1ccon1)N(C)c1ccccc1 ZINC000634952832 345128584 /nfs/dbraw/zinc/12/85/84/345128584.db2.gz KHIDOUZXUMFVMB-LBPRGKRZSA-N 0 1 245.326 2.289 20 0 BEADMN CCc1cnc(CCNCc2ccon2)s1 ZINC000634965152 345140768 /nfs/dbraw/zinc/14/07/68/345140768.db2.gz BIFBZCBQQMBGGO-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCCO2)nc1 ZINC000156304326 345146602 /nfs/dbraw/zinc/14/66/02/345146602.db2.gz RBIBPOWIRAOMJI-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Fc1ccc(CCNCc2ccon2)cc1F ZINC000634978236 345154402 /nfs/dbraw/zinc/15/44/02/345154402.db2.gz XAIYFGQFFHGYFM-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN Oc1ccc2c(c1)CC[C@@H](NCc1ccon1)C2 ZINC000634978665 345154780 /nfs/dbraw/zinc/15/47/80/345154780.db2.gz JBKCKJJRXFXHHC-GFCCVEGCSA-N 0 1 244.294 2.027 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C[C@H]1C ZINC000579978007 345224773 /nfs/dbraw/zinc/22/47/73/345224773.db2.gz NDGGUEUEINYQEI-WDEREUQCSA-N 0 1 249.358 2.235 20 0 BEADMN O=C(NC1CCCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635074106 345240196 /nfs/dbraw/zinc/24/01/96/345240196.db2.gz RAHYBMYFRPJUPU-VXGBXAGGSA-N 0 1 247.342 2.352 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@@H](C)OC)s1 ZINC000168409106 345314711 /nfs/dbraw/zinc/31/47/11/345314711.db2.gz RTOYUKRVHJTCLN-DTWKUNHWSA-N 0 1 228.361 2.219 20 0 BEADMN CCSCC[C@H](C)NCc1csnn1 ZINC000162676911 345275869 /nfs/dbraw/zinc/27/58/69/345275869.db2.gz WTQSFODMAZOCNY-QMMMGPOBSA-N 0 1 231.390 2.159 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)C1CCCCC1 ZINC000635225246 345277746 /nfs/dbraw/zinc/27/77/46/345277746.db2.gz BSADZOWZJVZMFS-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635225625 345278516 /nfs/dbraw/zinc/27/85/16/345278516.db2.gz YHROPLMCLZTICN-YPMHNXCESA-N 0 1 234.343 2.204 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635229351 345278982 /nfs/dbraw/zinc/27/89/82/345278982.db2.gz NKQOYEMXJWFAMT-IRCOFANPSA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000635236382 345280496 /nfs/dbraw/zinc/28/04/96/345280496.db2.gz NSSBDJXAXFMZSD-VXGBXAGGSA-N 0 1 247.342 2.160 20 0 BEADMN Cc1cc2cc(NC(=O)[C@@H](C)N(C)C)ccc2[nH]1 ZINC000635254447 345287591 /nfs/dbraw/zinc/28/75/91/345287591.db2.gz GDKQDISEVZIMOQ-SNVBAGLBSA-N 0 1 245.326 2.365 20 0 BEADMN CCc1noc(CN2CCCC3(CC3)CC2)n1 ZINC000626113519 345302578 /nfs/dbraw/zinc/30/25/78/345302578.db2.gz WBCWAZDVVSPIHI-UHFFFAOYSA-N 0 1 235.331 2.398 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000635322538 345306696 /nfs/dbraw/zinc/30/66/96/345306696.db2.gz UWYNZRLWOWPGHZ-QMMMGPOBSA-N 0 1 243.690 2.230 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1nc(C)ccc1O ZINC000132637983 345338621 /nfs/dbraw/zinc/33/86/21/345338621.db2.gz WEFKZKWVOPHTPT-NSHDSACASA-N 0 1 220.316 2.470 20 0 BEADMN C[C@H](C(=O)N1CCC[C@@H]1C1CCCC1)N(C)C ZINC000635403274 345349116 /nfs/dbraw/zinc/34/91/16/345349116.db2.gz HPEVFRSLHFEPAE-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN CCCC1CCC(NC(=O)[C@@H](C)N(C)C)CC1 ZINC000635413987 345355215 /nfs/dbraw/zinc/35/52/15/345355215.db2.gz XUZKDJIDTUGKGM-PNESKVBLSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000635513052 345407283 /nfs/dbraw/zinc/40/72/83/345407283.db2.gz VOZKNGWPKCFFAH-LLVKDONJSA-N 0 1 226.364 2.116 20 0 BEADMN COC[C@@H](N[C@H](C)c1nnc(C)s1)C(C)C ZINC000135008768 345428944 /nfs/dbraw/zinc/42/89/44/345428944.db2.gz JJTWEPYYQRLJQS-PSASIEDQSA-N 0 1 243.376 2.168 20 0 BEADMN C[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1O ZINC000159454355 345435145 /nfs/dbraw/zinc/43/51/45/345435145.db2.gz MHOFSBYFAXLEQN-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN CCN(Cc1ccccc1C)[C@H](C)C(=O)N(C)C ZINC000133988113 345393933 /nfs/dbraw/zinc/39/39/33/345393933.db2.gz HHZUCKKBHJOWTN-CYBMUJFWSA-N 0 1 248.370 2.294 20 0 BEADMN CCCN1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC000635493482 345397428 /nfs/dbraw/zinc/39/74/28/345397428.db2.gz BBDHPYQLXNXCEE-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635495292 345398542 /nfs/dbraw/zinc/39/85/42/345398542.db2.gz RBJSQTSSCKVHFN-JHJVBQTASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635500415 345400049 /nfs/dbraw/zinc/40/00/49/345400049.db2.gz PFUQDFHVGFBJER-FRRDWIJNSA-N 0 1 240.391 2.268 20 0 BEADMN CCN(CC)Cc1nc2c(s1)CCC2 ZINC000678826780 488286976 /nfs/dbraw/zinc/28/69/76/488286976.db2.gz KBVDPHCRCPVRFA-UHFFFAOYSA-N 0 1 210.346 2.474 20 0 BEADMN C[C@H]1CCN(Cc2nc3c(s2)CCC3)C1 ZINC000678819979 488287406 /nfs/dbraw/zinc/28/74/06/488287406.db2.gz YVKXSCZZQCBHHW-VIFPVBQESA-N 0 1 222.357 2.474 20 0 BEADMN OCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605720 345486120 /nfs/dbraw/zinc/48/61/20/345486120.db2.gz IZYXMUDZSSEGLO-LBPRGKRZSA-N 0 1 225.719 2.469 20 0 BEADMN CC(C)CC[C@@H](C)NCc1ncccn1 ZINC000068944704 349931622 /nfs/dbraw/zinc/93/16/22/349931622.db2.gz AXUPBUMDPUUIQV-LLVKDONJSA-N 0 1 207.321 2.391 20 0 BEADMN Cc1ccn2cc(CNCc3cc[nH]c3)nc2c1 ZINC000086252894 345536618 /nfs/dbraw/zinc/53/66/18/345536618.db2.gz UTCFIHIPINZYBE-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN CCN1CCCN(c2ncccc2Cl)CC1 ZINC000088721501 345544239 /nfs/dbraw/zinc/54/42/39/345544239.db2.gz KFTZGSCQQAINTE-UHFFFAOYSA-N 0 1 239.750 2.267 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1nc(C(=O)[O-])cs1 ZINC000378754735 345545803 /nfs/dbraw/zinc/54/58/03/345545803.db2.gz RQCGIHHDFGNOQK-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN C[S@](=O)c1ccc(CN2CCCCC2)cc1 ZINC000092107406 345616518 /nfs/dbraw/zinc/61/65/18/345616518.db2.gz XVCHZFUQGMCOOQ-MRXNPFEDSA-N 0 1 237.368 2.410 20 0 BEADMN CCN(CCC(=O)OC)Cc1ccc(Cl)o1 ZINC000092379899 345617780 /nfs/dbraw/zinc/61/77/80/345617780.db2.gz DICSWWANRLUBLE-UHFFFAOYSA-N 0 1 245.706 2.318 20 0 BEADMN CCc1nn(C)cc1CN1CC=C(C)CC1 ZINC000678831905 488289756 /nfs/dbraw/zinc/28/97/56/488289756.db2.gz SAKOLIVKVFKZFF-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN Nc1cnccc1CN[C@@H]1CCCc2occc21 ZINC000641707692 362618433 /nfs/dbraw/zinc/61/84/33/362618433.db2.gz PITRWXIYJFYYGM-CYBMUJFWSA-N 0 1 243.310 2.424 20 0 BEADMN CC[C@H](NCc1ccncc1N)c1ccncc1 ZINC000641728553 362648729 /nfs/dbraw/zinc/64/87/29/362648729.db2.gz CTQLNSCWPRELFY-AWEZNQCLSA-N 0 1 242.326 2.300 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C ZINC000115446735 345676544 /nfs/dbraw/zinc/67/65/44/345676544.db2.gz VGXYQRIQYDOJFR-STQMWFEESA-N 0 1 218.344 2.211 20 0 BEADMN CC(C)CSCCN1C[C@@H](C)O[C@H](C)C1 ZINC000134843965 345759920 /nfs/dbraw/zinc/75/99/20/345759920.db2.gz VXJWSUSTRPPRFI-VXGBXAGGSA-N 0 1 231.405 2.485 20 0 BEADMN CCCC[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000031945162 345699509 /nfs/dbraw/zinc/69/95/09/345699509.db2.gz YYJOMOFLTPCWDF-UHFFFAOYSA-N 0 1 228.317 2.073 20 0 BEADMN C(=C/c1ccccc1)\CCN1CCOCC1 ZINC000144696088 345709579 /nfs/dbraw/zinc/70/95/79/345709579.db2.gz NXPQDGNOOXXYND-XBXARRHUSA-N 0 1 217.312 2.422 20 0 BEADMN Cc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000212300739 345727436 /nfs/dbraw/zinc/72/74/36/345727436.db2.gz UFZNOYNDGDVRSJ-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN C(Nc1nnc(C2CC2)s1)[C@@H]1CC12CC2 ZINC000418985185 192091020 /nfs/dbraw/zinc/09/10/20/192091020.db2.gz FEHMSLPEEXOWSE-QMMMGPOBSA-N 0 1 221.329 2.049 20 0 BEADMN CCN1CCN(c2nccc3ccccc32)CC1 ZINC000139215340 345793343 /nfs/dbraw/zinc/79/33/43/345793343.db2.gz RURYDYPOOQNTCR-UHFFFAOYSA-N 0 1 241.338 2.377 20 0 BEADMN CC(C)=CC[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000137484510 345846207 /nfs/dbraw/zinc/84/62/07/345846207.db2.gz FBGGVWLULAGETP-NSHDSACASA-N 0 1 213.321 2.384 20 0 BEADMN C[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635570367 345825860 /nfs/dbraw/zinc/82/58/60/345825860.db2.gz YESVFFZJIRTUIS-IJLUTSLNSA-N 0 1 247.342 2.304 20 0 BEADMN CCCCN[C@@H](CO)c1c(F)cccc1F ZINC000336746844 187309884 /nfs/dbraw/zinc/30/98/84/187309884.db2.gz WXFJAZYTWFFFJK-NSHDSACASA-N 0 1 229.270 2.388 20 0 BEADMN C[C@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000635623202 345897767 /nfs/dbraw/zinc/89/77/67/345897767.db2.gz NWIUCSDUNGITBH-WXHSDQCUSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1cnc(C2CC2)o1 ZINC000628214319 345892962 /nfs/dbraw/zinc/89/29/62/345892962.db2.gz SOBLLDHVSKNUOH-BXKDBHETSA-N 0 1 238.331 2.049 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@H](N)c1ccccc1 ZINC000081060224 187360281 /nfs/dbraw/zinc/36/02/81/187360281.db2.gz GPQKIPFPHBBCJY-DGCLKSJQSA-N 0 1 234.343 2.095 20 0 BEADMN CC[C@@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000172692323 345876959 /nfs/dbraw/zinc/87/69/59/345876959.db2.gz WDHGIMOXNMOLHL-GFCCVEGCSA-N 0 1 210.365 2.345 20 0 BEADMN CC=CC=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184640524 187310531 /nfs/dbraw/zinc/31/05/31/187310531.db2.gz KUULKOQARKZJQC-CRBCFSCISA-N 0 1 232.287 2.143 20 0 BEADMN CC=CC=CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184640524 187310533 /nfs/dbraw/zinc/31/05/33/187310533.db2.gz KUULKOQARKZJQC-CRBCFSCISA-N 0 1 232.287 2.143 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2cccc(C)c21 ZINC000635647902 345924515 /nfs/dbraw/zinc/92/45/15/345924515.db2.gz FYTWXHIFNURLTD-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN CCCC[C@@H](CC)CCN1CCNC(=O)[C@@H]1C ZINC000437690110 537926364 /nfs/dbraw/zinc/92/63/64/537926364.db2.gz UZCNQXUTAVQSTC-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000086790181 345937911 /nfs/dbraw/zinc/93/79/11/345937911.db2.gz ZPHIYFCOLKZQEB-YPMHNXCESA-N 0 1 233.311 2.197 20 0 BEADMN CC(C)CSCCCN1CCOCC1 ZINC000109196794 187312800 /nfs/dbraw/zinc/31/28/00/187312800.db2.gz RYTAUAGWIYZEFB-UHFFFAOYSA-N 0 1 217.378 2.098 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635679280 345975363 /nfs/dbraw/zinc/97/53/63/345975363.db2.gz CJZUMVASTHVJPI-JSGCOSHPSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000635681038 345976039 /nfs/dbraw/zinc/97/60/39/345976039.db2.gz MZKAMCAGXXAYRY-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1ncc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)[nH]1 ZINC001639097827 1172070317 /nfs/dbraw/zinc/07/03/17/1172070317.db2.gz QNMMKAWHBPZTKY-HZMBPMFUSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)[C@@H](CC(F)(F)F)NCc1cn(C)cn1 ZINC000673607223 488297404 /nfs/dbraw/zinc/29/74/04/488297404.db2.gz HVQLFIKXNWYQCT-SNVBAGLBSA-N 0 1 249.280 2.487 20 0 BEADMN CSC[C@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000571006678 323103464 /nfs/dbraw/zinc/10/34/64/323103464.db2.gz ZBCLZQURODZHKJ-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN CSC[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000571006678 323103465 /nfs/dbraw/zinc/10/34/65/323103465.db2.gz ZBCLZQURODZHKJ-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C)N(C)C)cc1F ZINC000635728108 346039303 /nfs/dbraw/zinc/03/93/03/346039303.db2.gz UFXHKNNKPAYBAM-SECBINFHSA-N 0 1 238.306 2.277 20 0 BEADMN C[C@H]1CCCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635814279 346070587 /nfs/dbraw/zinc/07/05/87/346070587.db2.gz NOZULNKHQUDSQP-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635810465 346074294 /nfs/dbraw/zinc/07/42/94/346074294.db2.gz XFUNLUQMIIWRKA-YUSALJHKSA-N 0 1 247.342 2.208 20 0 BEADMN CC=C(CC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000191025549 187313896 /nfs/dbraw/zinc/31/38/96/187313896.db2.gz IOHIZGUUHWRHSR-FPYGCLRLSA-N 0 1 234.303 2.367 20 0 BEADMN C/C=C(\CC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000191025549 187313898 /nfs/dbraw/zinc/31/38/98/187313898.db2.gz IOHIZGUUHWRHSR-FPYGCLRLSA-N 0 1 234.303 2.367 20 0 BEADMN CCCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000191162737 187314595 /nfs/dbraw/zinc/31/45/95/187314595.db2.gz DMKSHYVPHNOKNJ-LBPRGKRZSA-N 0 1 239.388 2.310 20 0 BEADMN C[C@H](C(=O)Nc1cccc2ccn(C)c21)N(C)C ZINC000635857464 346086758 /nfs/dbraw/zinc/08/67/58/346086758.db2.gz YEQCUMSGYZDMEE-SNVBAGLBSA-N 0 1 245.326 2.067 20 0 BEADMN C[C@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)N(C)C ZINC000635883539 346101594 /nfs/dbraw/zinc/10/15/94/346101594.db2.gz ZVXRJDLHXBJDCY-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)n1nccc1CN1CCCOC[C@@H]1C ZINC000684360828 488300281 /nfs/dbraw/zinc/30/02/81/488300281.db2.gz JTGMLEKXNGBLLC-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN CC1=C(C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635886168 346101992 /nfs/dbraw/zinc/10/19/92/346101992.db2.gz OAQHTXOKBFLSIO-VXGBXAGGSA-N 0 1 245.326 2.082 20 0 BEADMN C[C@H](C(=O)N(C)[C@H](C)C1CCCCC1)N(C)C ZINC000635903273 346109681 /nfs/dbraw/zinc/10/96/81/346109681.db2.gz SEZMHQVRBKWUHH-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CC(C)=C(C)C ZINC000635973371 346128986 /nfs/dbraw/zinc/12/89/86/346128986.db2.gz YDONWYPVUGDYTE-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN CCC1(CC)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635963179 346135184 /nfs/dbraw/zinc/13/51/84/346135184.db2.gz PXFBHHJARIXMIK-GHMZBOCLSA-N 0 1 247.342 2.162 20 0 BEADMN CC(C)Cc1nsc(NC[C@H]2C[C@H]2C)n1 ZINC000336770724 187316178 /nfs/dbraw/zinc/31/61/78/187316178.db2.gz WWTANMMQYKJKHU-RKDXNWHRSA-N 0 1 225.361 2.226 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)N(C)C ZINC000636011073 346152982 /nfs/dbraw/zinc/15/29/82/346152982.db2.gz YERSMSIBTRVSSQ-XQHKEYJVSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000636017320 346156924 /nfs/dbraw/zinc/15/69/24/346156924.db2.gz JYVFYZDFTZEIQE-UPJWGTAASA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C)N(C)C ZINC000636017121 346156962 /nfs/dbraw/zinc/15/69/62/346156962.db2.gz YGLOSQBNGFDNMM-LOWVWBTDSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000636018483 346157856 /nfs/dbraw/zinc/15/78/56/346157856.db2.gz MMYNJMIAZSAAFY-SCRDCRAPSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000636018484 346157895 /nfs/dbraw/zinc/15/78/95/346157895.db2.gz MMYNJMIAZSAAFY-SGMGOOAPSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000636018482 346157907 /nfs/dbraw/zinc/15/79/07/346157907.db2.gz MMYNJMIAZSAAFY-OUCADQQQSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1oc(C[N@H+](C)CC[C@@H](C)F)cc1C(=O)[O-] ZINC000563282808 323108265 /nfs/dbraw/zinc/10/82/65/323108265.db2.gz TUWYDYPXWBEVNM-MRVPVSSYSA-N 0 1 243.278 2.466 20 0 BEADMN C[C@H]1CN(Cc2cnc(C3CC3)o2)[C@@H](C)CN1C ZINC000628240341 346202780 /nfs/dbraw/zinc/20/27/80/346202780.db2.gz AGNDGKXQAREJPV-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1cc(C)c(COCCc2c[nH]nn2)c(C)c1 ZINC000419052697 192098482 /nfs/dbraw/zinc/09/84/82/192098482.db2.gz IEFIPHIAESNNCB-UHFFFAOYSA-N 0 1 245.326 2.489 20 0 BEADMN C[C@]1(NCc2cnc(C3CC3)o2)CCCOC1 ZINC000628234413 346187954 /nfs/dbraw/zinc/18/79/54/346187954.db2.gz ZDHHCLSMQIMSGH-ZDUSSCGKSA-N 0 1 236.315 2.211 20 0 BEADMN CC(C)C[C@H](C)COCCc1c[nH]nn1 ZINC000419050099 192098578 /nfs/dbraw/zinc/09/85/78/192098578.db2.gz CTXXKTNKYQQVQW-JTQLQIEISA-N 0 1 211.309 2.046 20 0 BEADMN CO[C@@H]1CCCN(Cc2nc(C)c(C)[nH]2)CC1 ZINC000628236801 346191495 /nfs/dbraw/zinc/19/14/95/346191495.db2.gz QFAUHGBUHGRGKI-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@@H](NCc1cccnc1)c1cnn(C)c1 ZINC000151076850 346214087 /nfs/dbraw/zinc/21/40/87/346214087.db2.gz HEWDGMLKLLCXMG-CYBMUJFWSA-N 0 1 230.315 2.056 20 0 BEADMN c1[nH]nnc1CCOCCCC1CCCC1 ZINC000419057387 192098614 /nfs/dbraw/zinc/09/86/14/192098614.db2.gz UTNCMPJNKUVEOW-UHFFFAOYSA-N 0 1 223.320 2.334 20 0 BEADMN CC(C)CSCCCOCCc1c[nH]nn1 ZINC000419058961 192098856 /nfs/dbraw/zinc/09/88/56/192098856.db2.gz XALQKCTVRZFWIP-UHFFFAOYSA-N 0 1 243.376 2.143 20 0 BEADMN CCc1ccccc1CCOCCc1c[nH]nn1 ZINC000419053074 192098777 /nfs/dbraw/zinc/09/87/77/192098777.db2.gz IYGYYQFLKUXQDV-UHFFFAOYSA-N 0 1 245.326 2.169 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1cnc(C2CC2)o1 ZINC000628253100 346227109 /nfs/dbraw/zinc/22/71/09/346227109.db2.gz UKQUTFQZVABJAD-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN COc1ccc(CN2CC(C(C)C)C2)cn1 ZINC000684409593 488308515 /nfs/dbraw/zinc/30/85/15/488308515.db2.gz ZDILNNOHKOLYMV-UHFFFAOYSA-N 0 1 220.316 2.178 20 0 BEADMN C=Cn1cc(CN[C@@H](C)c2cccnc2)cn1 ZINC000194343215 187316817 /nfs/dbraw/zinc/31/68/17/187316817.db2.gz NPFPCFJQRWTASL-NSHDSACASA-N 0 1 228.299 2.229 20 0 BEADMN Cc1cccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000074556684 179012770 /nfs/dbraw/zinc/01/27/70/179012770.db2.gz HSPRACUGWPKLQL-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN c1nc(C2CC2)oc1CN1CC([C@@H]2CCOC2)C1 ZINC000628255252 346248511 /nfs/dbraw/zinc/24/85/11/346248511.db2.gz HKKRVFRUAMOXNQ-LLVKDONJSA-N 0 1 248.326 2.020 20 0 BEADMN Cc1cccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)c1 ZINC000155050780 179014062 /nfs/dbraw/zinc/01/40/62/179014062.db2.gz AGRNUNJLQYRWPR-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ncc(CN2CC(C)=C[C@H](C)C2)o1 ZINC000628257715 346256973 /nfs/dbraw/zinc/25/69/73/346256973.db2.gz XGNGUUFWIIVIJN-VIFPVBQESA-N 0 1 206.289 2.381 20 0 BEADMN Cc1ncc(CN2CC(C)=C[C@@H](C)C2)o1 ZINC000628257714 346257046 /nfs/dbraw/zinc/25/70/46/346257046.db2.gz XGNGUUFWIIVIJN-SECBINFHSA-N 0 1 206.289 2.381 20 0 BEADMN COCC1(NCc2ccc(SC)o2)CC1 ZINC000641745285 362666842 /nfs/dbraw/zinc/66/68/42/362666842.db2.gz ZQLYJAIIOAJHQF-UHFFFAOYSA-N 0 1 227.329 2.270 20 0 BEADMN C/C=C/C[C@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC000626164813 346272324 /nfs/dbraw/zinc/27/23/24/346272324.db2.gz RKWNTCZSPBEOTO-LQPUYASZSA-N 0 1 248.374 2.476 20 0 BEADMN C/C=C/C[C@H]1CCCN(Cc2cnnn2CC)C1 ZINC000626164813 346272328 /nfs/dbraw/zinc/27/23/28/346272328.db2.gz RKWNTCZSPBEOTO-LQPUYASZSA-N 0 1 248.374 2.476 20 0 BEADMN CCN1CCN(Cc2cnc(C3CC3)o2)[C@H](C)C1 ZINC000628272008 346282583 /nfs/dbraw/zinc/28/25/83/346282583.db2.gz ACQAPBOLMNZNSH-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000628282500 346294172 /nfs/dbraw/zinc/29/41/72/346294172.db2.gz HNCRBSNSVJYBCJ-GFCCVEGCSA-N 0 1 219.332 2.340 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1c(F)cccc1F ZINC000641746893 362672980 /nfs/dbraw/zinc/67/29/80/362672980.db2.gz DFZFUSMLARGIJB-ZMWSMAPVSA-N 0 1 241.281 2.382 20 0 BEADMN CCCCCC(=O)N(C)Cc1cn[nH]c1C ZINC000636064618 346307761 /nfs/dbraw/zinc/30/77/61/346307761.db2.gz DFNKPXIZARHKLJ-UHFFFAOYSA-N 0 1 223.320 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C(C)(C)C(C)C ZINC000636068490 346308990 /nfs/dbraw/zinc/30/89/90/346308990.db2.gz ICYLHZNKCWDVAE-UHFFFAOYSA-N 0 1 237.347 2.359 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636068682 346309780 /nfs/dbraw/zinc/30/97/80/346309780.db2.gz MSJPAYUDCQDKQA-ZJUUUORDSA-N 0 1 237.347 2.359 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)N(C)Cc1cn[nH]c1C ZINC000636069318 346310253 /nfs/dbraw/zinc/31/02/53/346310253.db2.gz JWVBDNUULHGVQD-ZYHUDNBSSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000636070100 346311150 /nfs/dbraw/zinc/31/11/50/346311150.db2.gz HEFUBTNXIFAENA-IJLUTSLNSA-N 0 1 247.342 2.113 20 0 BEADMN C[C@H](C(=O)N1CCCC[C@H]1C1CCC1)N(C)C ZINC000636110068 346323012 /nfs/dbraw/zinc/32/30/12/346323012.db2.gz CALBCUJAJHMJBC-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cccc(CCCNCc2cocn2)n1 ZINC000285433258 179056237 /nfs/dbraw/zinc/05/62/37/179056237.db2.gz FGYZRFNGBXEVRB-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN CCOc1cccc(-c2noc([C@@H](C)NC)n2)c1 ZINC000054053209 1172081771 /nfs/dbraw/zinc/08/17/71/1172081771.db2.gz NGXRKXDXKPRNSW-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN Cc1cccc(CN(C)[C@H]2CCOC2)c1F ZINC000294836561 179072132 /nfs/dbraw/zinc/07/21/32/179072132.db2.gz NVFTZOVSMYYHID-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN CCc1nc(CN(C)c2ccc(C)cc2)n[nH]1 ZINC000158185198 346391843 /nfs/dbraw/zinc/39/18/43/346391843.db2.gz GSIWMPIUSSTBFC-UHFFFAOYSA-N 0 1 230.315 2.312 20 0 BEADMN Cc1cccc(CN(C)CCOC(C)C)n1 ZINC000336689577 179065655 /nfs/dbraw/zinc/06/56/55/179065655.db2.gz ZLEDOVZIJPNLMG-UHFFFAOYSA-N 0 1 222.332 2.247 20 0 BEADMN C[C@H](CC1CCOCC1)N[C@H](C)C(F)F ZINC000641792207 362726296 /nfs/dbraw/zinc/72/62/96/362726296.db2.gz SBAMBRRHOSUSEO-RKDXNWHRSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](N[C@H]1/C=C/CCCCC1)c1nncn1C ZINC000334216992 346446005 /nfs/dbraw/zinc/44/60/05/346446005.db2.gz WCLLHBWNCHKOMI-BIVWETNQSA-N 0 1 234.347 2.355 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCOC[C@H]1C ZINC000574956117 346456880 /nfs/dbraw/zinc/45/68/80/346456880.db2.gz ZSTYVVAIBJNQCO-WDEREUQCSA-N 0 1 225.357 2.400 20 0 BEADMN Cc1cc(CNCc2cccc(C)c2)n(C)n1 ZINC000089182810 179094235 /nfs/dbraw/zinc/09/42/35/179094235.db2.gz RBSLHOZWMISIGD-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN Cc1nc(C[N@H+](C)[C@@H](C)CC(=O)[O-])sc1C ZINC000563455091 323127137 /nfs/dbraw/zinc/12/71/37/323127137.db2.gz ZNMZHIWAOTVKMO-ZETCQYMHSA-N 0 1 242.344 2.055 20 0 BEADMN CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186069932 346491195 /nfs/dbraw/zinc/49/11/95/346491195.db2.gz GBVFNFYKLJNIDH-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN Cc1cccc(F)c1NC(=O)c1ncccc1O ZINC000128770984 179110839 /nfs/dbraw/zinc/11/08/39/179110839.db2.gz VVWFRCATTSVKKB-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@H]2C)cc1O ZINC000336570219 187369844 /nfs/dbraw/zinc/36/98/44/187369844.db2.gz HAKXJVPOCWNCHT-NXEZZACHSA-N 0 1 221.300 2.384 20 0 BEADMN CC[C@@H](NC[C@H](O)C(C)C)c1nccs1 ZINC000300940548 346546296 /nfs/dbraw/zinc/54/62/96/346546296.db2.gz XRPHUDKLNFGVAZ-ZJUUUORDSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000580127647 346546446 /nfs/dbraw/zinc/54/64/46/346546446.db2.gz VVFSFSPULRQEAJ-NXEZZACHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000580127647 346546447 /nfs/dbraw/zinc/54/64/47/346546447.db2.gz VVFSFSPULRQEAJ-NXEZZACHSA-N 0 1 206.289 2.018 20 0 BEADMN CC[C@H]1CN(CCc2ccc(OC)cc2)CCO1 ZINC000192807084 365831521 /nfs/dbraw/zinc/83/15/21/365831521.db2.gz ZSLXKHDEJWKQMP-AWEZNQCLSA-N 0 1 249.354 2.349 20 0 BEADMN Cc1ccc(CNCc2cccnc2C)nc1 ZINC000401043942 346625577 /nfs/dbraw/zinc/62/55/77/346625577.db2.gz HVTRHFMDCFQBSB-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cccc(NC(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000070076620 179133570 /nfs/dbraw/zinc/13/35/70/179133570.db2.gz KLDDAOWHUAHMQF-TXEJJXNPSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H](C1CC1)N(CC(=O)c1cccn1C)C1CC1 ZINC000192852668 365850008 /nfs/dbraw/zinc/85/00/08/365850008.db2.gz OBFMSVQAROBXBB-NSHDSACASA-N 0 1 246.354 2.471 20 0 BEADMN Cc1cccc(NCCCNC(=O)C2CCC2)n1 ZINC000157856968 179143858 /nfs/dbraw/zinc/14/38/58/179143858.db2.gz WROJJHDVBVEPTB-UHFFFAOYSA-N 0 1 247.342 2.108 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(C)(C)CC1 ZINC000580213991 346693735 /nfs/dbraw/zinc/69/37/35/346693735.db2.gz ZYJPEZPZVIRNEJ-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1nc(CNCCOCCC(C)C)[nH]c1C ZINC000580214148 346694885 /nfs/dbraw/zinc/69/48/85/346694885.db2.gz LQSZHTBQRQABKU-UHFFFAOYSA-N 0 1 239.363 2.179 20 0 BEADMN Cc1nnc(CCNc2cccc(C)n2)s1 ZINC000291143086 179147280 /nfs/dbraw/zinc/14/72/80/179147280.db2.gz OCYUXCPHNZFTKD-UHFFFAOYSA-N 0 1 234.328 2.205 20 0 BEADMN Cc1nnc([C@@H](C)NCC2CC(F)(F)C2)o1 ZINC000381693566 346698034 /nfs/dbraw/zinc/69/80/34/346698034.db2.gz GYEOMLQLVHRZSD-ZCFIWIBFSA-N 0 1 231.246 2.074 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1(C)C ZINC000345366079 365865024 /nfs/dbraw/zinc/86/50/24/365865024.db2.gz YTOUHMZPTDWPBM-NOOOWODRSA-N 0 1 249.358 2.292 20 0 BEADMN CC1(C)C[C@@H](NCc2cocn2)C(C)(C)O1 ZINC000182070560 346786011 /nfs/dbraw/zinc/78/60/11/346786011.db2.gz TUPWVODTBZUVSG-SNVBAGLBSA-N 0 1 224.304 2.110 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378655806 346796645 /nfs/dbraw/zinc/79/66/45/346796645.db2.gz APEKCFDIKWYJSY-QMMMGPOBSA-N 0 1 242.344 2.319 20 0 BEADMN C[C@@H](NCc1csc(C2CC2)n1)C(C)(C)O ZINC000309786254 347163032 /nfs/dbraw/zinc/16/30/32/347163032.db2.gz OCQDGEJCQKDTQA-MRVPVSSYSA-N 0 1 240.372 2.270 20 0 BEADMN CCc1csc(NCCN2CC=CCC2)n1 ZINC000309987654 347212697 /nfs/dbraw/zinc/21/26/97/347212697.db2.gz ZEPCGMVVPZHIDD-UHFFFAOYSA-N 0 1 237.372 2.379 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000117823015 347203512 /nfs/dbraw/zinc/20/35/12/347203512.db2.gz HTWLNYVLGOGDES-IBSXUBTNSA-N 0 1 231.295 2.249 20 0 BEADMN CCc1nc(CNC[C@@H](CO)C(C)C)cs1 ZINC000309974951 347209116 /nfs/dbraw/zinc/20/91/16/347209116.db2.gz RZCVOBWNEJESNK-JTQLQIEISA-N 0 1 242.388 2.060 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CCC(C)(C)O1 ZINC000184662914 347172266 /nfs/dbraw/zinc/17/22/66/347172266.db2.gz NTDCZVZCQUAVQQ-WOPDTQHZSA-N 0 1 227.348 2.053 20 0 BEADMN CC1(C)CCN(CC(=O)NC2(C)CCCC2)C1 ZINC000582071379 347172948 /nfs/dbraw/zinc/17/29/48/347172948.db2.gz PUFGRWSWRNVISA-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cccc([C@@H](C)N(C)CC(=O)NC2CC2)c1 ZINC000152838988 179179276 /nfs/dbraw/zinc/17/92/76/179179276.db2.gz SXANGSQBLWHKTM-GFCCVEGCSA-N 0 1 246.354 2.266 20 0 BEADMN CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000184980430 347187620 /nfs/dbraw/zinc/18/76/20/347187620.db2.gz WVYHWRJJHDNCPI-UHFFFAOYSA-N 0 1 246.314 2.059 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CCO[C@H]2C)n1 ZINC000571282968 323140214 /nfs/dbraw/zinc/14/02/14/323140214.db2.gz CBUAWAAYQRUHLR-GUBZILKMSA-N 0 1 239.319 2.008 20 0 BEADMN CC(C)CC[C@H](O)CN1CC[C@@H](C)[C@@H](F)C1 ZINC000684619632 488333833 /nfs/dbraw/zinc/33/38/33/488333833.db2.gz HTEWRPOCAKVNAK-AGIUHOORSA-N 0 1 231.355 2.463 20 0 BEADMN CCCC[C@@H](C)[C@@H](C)NCc1ncn(C)n1 ZINC000310011577 347218714 /nfs/dbraw/zinc/21/87/14/347218714.db2.gz IUAKIWSARMSXFL-GHMZBOCLSA-N 0 1 224.352 2.120 20 0 BEADMN C[C@@H](C(=O)N1Cc2ccccc2[C@@H]1C)N(C)C ZINC000623044421 347220897 /nfs/dbraw/zinc/22/08/97/347220897.db2.gz LZLKVRZKUBLSJD-QWRGUYRKSA-N 0 1 232.327 2.040 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCCC2(CC2)C1 ZINC000186969435 347245066 /nfs/dbraw/zinc/24/50/66/347245066.db2.gz WUOMLXXOBOGZET-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CO[C@H]([C@@H](C)NCc1csc(C)n1)C1CC1 ZINC000388278573 347286661 /nfs/dbraw/zinc/28/66/61/347286661.db2.gz KDLCOUWBJTZOSQ-PRHODGIISA-N 0 1 240.372 2.355 20 0 BEADMN Cc1ccccc1N(C)C(=O)[C@H]1CCCN1C ZINC000623047039 347297680 /nfs/dbraw/zinc/29/76/80/347297680.db2.gz HRBFMAJBIQMTKQ-CYBMUJFWSA-N 0 1 232.327 2.052 20 0 BEADMN CCC[C@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000187355161 347254340 /nfs/dbraw/zinc/25/43/40/347254340.db2.gz WYVNNQSNRWZBNN-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C(C)=O)no1 ZINC000571341029 323141966 /nfs/dbraw/zinc/14/19/66/323141966.db2.gz WUJXCJARHQFIPE-TVQRCGJNSA-N 0 1 236.315 2.498 20 0 BEADMN CO[C@@H]([C@H](C)NCc1cscn1)C1CC1 ZINC000388272110 347281893 /nfs/dbraw/zinc/28/18/93/347281893.db2.gz HMLCTPNKVKRURX-KWQFWETISA-N 0 1 226.345 2.046 20 0 BEADMN CCN1CCCN([C@H](C)c2ccccc2)CC1=O ZINC000190214185 347324324 /nfs/dbraw/zinc/32/43/24/347324324.db2.gz SKFALXXCVFEZCO-CYBMUJFWSA-N 0 1 246.354 2.302 20 0 BEADMN CCN(Cc1nccc(OC)c1OC)C(C)C ZINC000190418432 347330497 /nfs/dbraw/zinc/33/04/97/347330497.db2.gz ATKBWDPWDZLQCW-UHFFFAOYSA-N 0 1 238.331 2.329 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN1CCS(=O)CC1 ZINC000191065809 347341683 /nfs/dbraw/zinc/34/16/83/347341683.db2.gz XVOGYCKVDDKOQX-STQMWFEESA-N 0 1 241.400 2.043 20 0 BEADMN CC[C@H](NC[C@@H]1CCCCO1)c1ccn(C)n1 ZINC000349460280 136743753 /nfs/dbraw/zinc/74/37/53/136743753.db2.gz PVSWITPVBPZOKD-RYUDHWBXSA-N 0 1 237.347 2.030 20 0 BEADMN CCc1cnc(CNC[C@@H]2CCC=CO2)s1 ZINC000189565518 347304672 /nfs/dbraw/zinc/30/46/72/347304672.db2.gz VZLNNPMSFFQWCR-JTQLQIEISA-N 0 1 238.356 2.488 20 0 BEADMN CC[C@@H](C(=O)N(C)c1ccccc1C)N(C)C ZINC000623047795 347304685 /nfs/dbraw/zinc/30/46/85/347304685.db2.gz VLTGVEXFTDRXCL-LBPRGKRZSA-N 0 1 234.343 2.298 20 0 BEADMN CC[C@@H](O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189808002 347311086 /nfs/dbraw/zinc/31/10/86/347311086.db2.gz KMPHANQECOBVDW-ZYHUDNBSSA-N 0 1 240.372 2.359 20 0 BEADMN Cc1ncc(CN2CCSC[C@H]2C2CC2)o1 ZINC000628299111 347409688 /nfs/dbraw/zinc/40/96/88/347409688.db2.gz CNFUNMMVTGCCJZ-LBPRGKRZSA-N 0 1 238.356 2.310 20 0 BEADMN Cc1nnc(CN(CC2CCC2)C(C)C)o1 ZINC000193215302 347392128 /nfs/dbraw/zinc/39/21/28/347392128.db2.gz SXHBZTCPCFEJOJ-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1ccc(C(=O)N(C)Cc2cnc[nH]2)s1 ZINC000616922277 347452548 /nfs/dbraw/zinc/45/25/48/347452548.db2.gz WMOLPHAWSLQBQE-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1(C2CCC2)CCC1 ZINC000616922029 347452579 /nfs/dbraw/zinc/45/25/79/347452579.db2.gz MYSTVKTZYUAAFG-UHFFFAOYSA-N 0 1 247.342 2.339 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)sc1C ZINC000616923908 347455103 /nfs/dbraw/zinc/45/51/03/347455103.db2.gz ZOSOORLCKZWOJN-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)o2)C[C@@H]1C ZINC000628299381 347422891 /nfs/dbraw/zinc/42/28/91/347422891.db2.gz NLFMMPDRLXFVCL-GWCFXTLKSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000071396603 179238600 /nfs/dbraw/zinc/23/86/00/179238600.db2.gz FQNKATTVTDZGAT-LLVKDONJSA-N 0 1 229.283 2.470 20 0 BEADMN CC(C)c1occc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616928471 347494597 /nfs/dbraw/zinc/49/45/97/347494597.db2.gz APMPFPIPSXXQEA-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN C[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928693 347494715 /nfs/dbraw/zinc/49/47/15/347494715.db2.gz JEQXZEAIIFMCNJ-GXFFZTMASA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616929025 347496013 /nfs/dbraw/zinc/49/60/13/347496013.db2.gz RGCZGFMGAZNRAM-PWSUYJOCSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1cccc(C)c1C(=O)N(C)Cc1cnc[nH]1 ZINC000616927030 347459270 /nfs/dbraw/zinc/45/92/70/347459270.db2.gz YTNBGTADBUIBRB-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCCC(F)(F)F ZINC000616926785 347459891 /nfs/dbraw/zinc/45/98/91/347459891.db2.gz PYFNDWSYDPYZJN-UHFFFAOYSA-N 0 1 249.236 2.101 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000336387641 179247100 /nfs/dbraw/zinc/24/71/00/179247100.db2.gz LMPHCBNOMDMNHV-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN CCOC(=O)CN(C[C@@H](CC)OC)C(C)(C)C ZINC000419228070 192107155 /nfs/dbraw/zinc/10/71/55/192107155.db2.gz GFNIOFJYZMWXBX-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1ccccc1C(C)(C)NCc1cnnn1C ZINC000292972821 179255706 /nfs/dbraw/zinc/25/57/06/179255706.db2.gz KKPSXZZPEAVMQW-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN Cc1ccccc1CN(C)Cc1cnn(C)c1 ZINC000014191621 179270787 /nfs/dbraw/zinc/27/07/87/179270787.db2.gz UZSKKSVRRQWVQE-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1ccccc1CN(C)C[C@H](O)C(F)(F)F ZINC000068876179 179268685 /nfs/dbraw/zinc/26/86/85/179268685.db2.gz BZGUUVHRBMCEFA-NSHDSACASA-N 0 1 247.260 2.350 20 0 BEADMN CCc1cnc(CN2C[C@@H](C)C[C@@H]2C)o1 ZINC000525787660 259397364 /nfs/dbraw/zinc/39/73/64/259397364.db2.gz LDHOBXWWIIDMGU-UWVGGRQHSA-N 0 1 208.305 2.467 20 0 BEADMN Cc1cc(C)cc(CNC(=O)[C@H]2CCCN2C)c1 ZINC000618160965 347680875 /nfs/dbraw/zinc/68/08/75/347680875.db2.gz XRFOLAUFRNDZLL-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cc(CNCc2ccc3nc[nH]c3c2)on1 ZINC000591709178 347687558 /nfs/dbraw/zinc/68/75/58/347687558.db2.gz VQRAMYFFPZWQOH-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)n[nH]1 ZINC000591710602 347687575 /nfs/dbraw/zinc/68/75/75/347687575.db2.gz MQENHBSPXHOMPP-JTQLQIEISA-N 0 1 231.299 2.275 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)[nH]n1 ZINC000591710602 347687578 /nfs/dbraw/zinc/68/75/78/347687578.db2.gz MQENHBSPXHOMPP-JTQLQIEISA-N 0 1 231.299 2.275 20 0 BEADMN Cc1cc(CN2CCC[C@@H](n3ccnc3)C2)on1 ZINC000591867930 347708144 /nfs/dbraw/zinc/70/81/44/347708144.db2.gz UINWUQHYJKWSLH-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@H]1CN(C[C@H](CC(C)C)OC)CCO1 ZINC000419190162 192108944 /nfs/dbraw/zinc/10/89/44/192108944.db2.gz QKBYKGPXXDIONJ-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN CCOC(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592199094 347750650 /nfs/dbraw/zinc/75/06/50/347750650.db2.gz WVRYFYARKYGGIC-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCN(CCSC)Cc1oc(C)nc1C ZINC000592201286 347753098 /nfs/dbraw/zinc/75/30/98/347753098.db2.gz GOBKVVTWEKMXGA-UHFFFAOYSA-N 0 1 228.361 2.476 20 0 BEADMN CCN(CCSC)Cc1cncs1 ZINC000592530097 347796298 /nfs/dbraw/zinc/79/62/98/347796298.db2.gz WSVRJHHIEQBLRM-UHFFFAOYSA-N 0 1 216.375 2.328 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCC(C)(F)F)C1 ZINC000577286457 365917093 /nfs/dbraw/zinc/91/70/93/365917093.db2.gz RTHFNQASZROUTL-GFCCVEGCSA-N 0 1 249.301 2.464 20 0 BEADMN COC(=O)c1ccoc1CNC1(C2CCC2)CC1 ZINC000593084417 347852121 /nfs/dbraw/zinc/85/21/21/347852121.db2.gz OYEZANSDXIJPNE-UHFFFAOYSA-N 0 1 249.310 2.489 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)c1 ZINC000593099945 347857306 /nfs/dbraw/zinc/85/73/06/347857306.db2.gz LIMMNMKKOQXNSM-GRDNDAEWSA-N 0 1 249.379 2.009 20 0 BEADMN Cc1ccccc1NC(=O)CN1CCC[C@H]1C ZINC000154445813 179299227 /nfs/dbraw/zinc/29/92/27/179299227.db2.gz DPOPTVWUKGYXLK-GFCCVEGCSA-N 0 1 232.327 2.418 20 0 BEADMN Cn1ccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000679741094 488365432 /nfs/dbraw/zinc/36/54/32/488365432.db2.gz UQUFDLYSTCCKDQ-LLVKDONJSA-N 0 1 244.285 2.229 20 0 BEADMN Cc1ccccc1O[C@H](C)CNCc1ncc[nH]1 ZINC000083374232 179313921 /nfs/dbraw/zinc/31/39/21/179313921.db2.gz PZEOSCDUAWTSCJ-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1ccccc1O[C@@H](C)CNCc1ncc[nH]1 ZINC000083374231 179313000 /nfs/dbraw/zinc/31/30/00/179313000.db2.gz PZEOSCDUAWTSCJ-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CC[C@H](CN1CCCC[C@H]1c1cc[nH]n1)OC ZINC000419268365 192110238 /nfs/dbraw/zinc/11/02/38/192110238.db2.gz MHNUBEOQUDGCTJ-YPMHNXCESA-N 0 1 237.347 2.362 20 0 BEADMN Cc1ccccc1[C@H](C)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338381908 179335272 /nfs/dbraw/zinc/33/52/72/179335272.db2.gz LLOMQLHQKPZXGK-MELADBBJSA-N 0 1 247.338 2.156 20 0 BEADMN CC[C@@H](CC(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000603486661 349979572 /nfs/dbraw/zinc/97/95/72/349979572.db2.gz SPYQGWSNDWMLSI-NSHDSACASA-N 0 1 237.347 2.407 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(C)c(F)c2)n[nH]1 ZINC000603488233 349979942 /nfs/dbraw/zinc/97/99/42/349979942.db2.gz NVHXEPNKGXXCTO-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)sc2C)n[nH]1 ZINC000603488678 349981196 /nfs/dbraw/zinc/98/11/96/349981196.db2.gz MRYRICUUDXILOZ-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1ccccc1[C@H](NC(=O)CN(C)C)C1CC1 ZINC000264846628 179344227 /nfs/dbraw/zinc/34/42/27/179344227.db2.gz KJGPREKRPUHLIA-OAHLLOKOSA-N 0 1 246.354 2.124 20 0 BEADMN CSC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000594511339 348061240 /nfs/dbraw/zinc/06/12/40/348061240.db2.gz GRTZOXXQWFWAOI-JTQLQIEISA-N 0 1 239.388 2.061 20 0 BEADMN CCCCC[S@@](=O)[C@@H](C)c1n[nH]c(CC)n1 ZINC000594666435 348095467 /nfs/dbraw/zinc/09/54/67/348095467.db2.gz QBWOQAMGRVOSQG-XXFAHNHDSA-N 0 1 243.376 2.367 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)C[C@H](C)CC)n[nH]1 ZINC000594667672 348096008 /nfs/dbraw/zinc/09/60/08/348096008.db2.gz YTQZFLKKKJGHOS-YNEJBJPTSA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@@H](C)S[C@H]2CCCOC2)n[nH]1 ZINC000594898335 348131164 /nfs/dbraw/zinc/13/11/64/348131164.db2.gz NVXPVDGEFJKACN-BDAKNGLRSA-N 0 1 241.360 2.340 20 0 BEADMN Cc1cccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000300268605 179372638 /nfs/dbraw/zinc/37/26/38/179372638.db2.gz ANQBATWQARNZHN-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@H](C)[C@@H](C)O1 ZINC000446069220 348201316 /nfs/dbraw/zinc/20/13/16/348201316.db2.gz DZXXIGDBJWZOHY-LPWJVIDDSA-N 0 1 241.375 2.442 20 0 BEADMN CC(C)N1CCN([C@H](C)c2nccs2)CC1 ZINC000203758107 348210339 /nfs/dbraw/zinc/21/03/39/348210339.db2.gz VTHRSBJDKPWCEX-LLVKDONJSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1nc(CN[C@H](CCO)C(C)(C)C)c(C)o1 ZINC000595422250 348245314 /nfs/dbraw/zinc/24/53/14/348245314.db2.gz KOCASQBJFDIJKM-GFCCVEGCSA-N 0 1 240.347 2.178 20 0 BEADMN CCOC(=O)[C@H](C)N(CC1CC=CC1)C1CC1 ZINC000595459242 348255963 /nfs/dbraw/zinc/25/59/63/348255963.db2.gz XTUMSTNGTOLTIA-NSHDSACASA-N 0 1 237.343 2.369 20 0 BEADMN Cc1cccnc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335154928 179374947 /nfs/dbraw/zinc/37/49/47/179374947.db2.gz KIKDIAHLEVAYSL-QWRGUYRKSA-N 0 1 220.341 2.080 20 0 BEADMN COc1cc(CN(C)[C@H](C)CCSC)on1 ZINC000595374231 348232470 /nfs/dbraw/zinc/23/24/70/348232470.db2.gz XBRRMKQNRQYBOP-SECBINFHSA-N 0 1 244.360 2.257 20 0 BEADMN CCc1nocc1C[N@H+](C)C[C@@H](CC)OC ZINC000419279933 192121919 /nfs/dbraw/zinc/12/19/19/192121919.db2.gz INXKPOVVKNLNFY-LLVKDONJSA-N 0 1 226.320 2.094 20 0 BEADMN CCc1nocc1CN(C)C[C@@H](CC)OC ZINC000419279933 192121920 /nfs/dbraw/zinc/12/19/20/192121920.db2.gz INXKPOVVKNLNFY-LLVKDONJSA-N 0 1 226.320 2.094 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]ncc2C)[C@H](CC)CO1 ZINC000651913302 490154973 /nfs/dbraw/zinc/15/49/73/490154973.db2.gz RYILNOSMWUTUEO-VXGBXAGGSA-N 0 1 237.347 2.108 20 0 BEADMN COC(=O)C12CC(C1)CN2CCC1CCCC1 ZINC000595673793 348309349 /nfs/dbraw/zinc/30/93/49/348309349.db2.gz FSXUXBLXRBGERZ-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN COC(=O)C12CC(C1)CN2CCCC(C)C ZINC000595680224 348311459 /nfs/dbraw/zinc/31/14/59/348311459.db2.gz ODMDAOSAOFBJKD-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)CN1CC[C@H](C2CCCCC2)C1 ZINC000595739801 348318813 /nfs/dbraw/zinc/31/88/13/348318813.db2.gz QSGCSVKPPIZKST-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@H]2C[C@H]2C1 ZINC000595808538 348348737 /nfs/dbraw/zinc/34/87/37/348348737.db2.gz NORLTQHKGLAYTH-SDDRHHMPSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2C[C@@H]2C1 ZINC000595809482 348349564 /nfs/dbraw/zinc/34/95/64/348349564.db2.gz RPAZIAVSMCYZPQ-GMTAPVOTSA-N 0 1 225.332 2.058 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCC[C@@H](CCF)C1 ZINC000595754997 348329101 /nfs/dbraw/zinc/32/91/01/348329101.db2.gz DSVXJZMQTMZCGC-CMPLNLGQSA-N 0 1 243.322 2.010 20 0 BEADMN CC[C@H](CN[C@@H](C)c1c(F)cncc1F)OC ZINC000419283996 192123487 /nfs/dbraw/zinc/12/34/87/192123487.db2.gz SJNPQEMSRVQMES-DTWKUNHWSA-N 0 1 244.285 2.435 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](C2CCC2)C1 ZINC000595832973 348366260 /nfs/dbraw/zinc/36/62/60/348366260.db2.gz LBSFNYVZRCQBBB-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000419336137 192124629 /nfs/dbraw/zinc/12/46/29/192124629.db2.gz IKELYLLKDXMZCT-SDDRHHMPSA-N 0 1 236.363 2.164 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC2CC1(C)C2 ZINC000595914462 348399514 /nfs/dbraw/zinc/39/95/14/348399514.db2.gz APUDLAJYPOWLQH-JBLZRFIASA-N 0 1 225.332 2.201 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC2CC1(C)C2 ZINC000595914590 348399535 /nfs/dbraw/zinc/39/95/35/348399535.db2.gz DLHHNSAUSPRFKG-QWKFWESOSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)c1coc(CN2CC3CC2(C)C3)c1 ZINC000595916390 348400464 /nfs/dbraw/zinc/40/04/64/348400464.db2.gz RODUFUKZFFHDLM-UHFFFAOYSA-N 0 1 235.283 2.051 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000419391694 192129763 /nfs/dbraw/zinc/12/97/63/192129763.db2.gz KBWXHZWTGRSLHB-AXFHLTTASA-N 0 1 237.347 2.498 20 0 BEADMN CC/C=C(\F)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001639427426 1172105461 /nfs/dbraw/zinc/10/54/61/1172105461.db2.gz IKCBNGFUVAXUCF-YHYXMXQVSA-N 0 1 239.294 2.413 20 0 BEADMN CCc1nnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)o1 ZINC000419397075 192131340 /nfs/dbraw/zinc/13/13/40/192131340.db2.gz UELCLOQZKQFNLI-AEJSXWLSSA-N 0 1 223.320 2.108 20 0 BEADMN CC(C)=CCN1CCN(c2ccc(O)cc2)CC1 ZINC000066861644 348435333 /nfs/dbraw/zinc/43/53/33/348435333.db2.gz KYJAGZDFDHNRKZ-UHFFFAOYSA-N 0 1 246.354 2.480 20 0 BEADMN C[C@@H]1CN(Cc2nnc3n2CCCC3)[C@@H](C)[C@H]1C ZINC000419364602 192127846 /nfs/dbraw/zinc/12/78/46/192127846.db2.gz WTNAKRXIDJDHCY-WOPDTQHZSA-N 0 1 248.374 2.091 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccccc2)n[nH]1 ZINC000603522046 349990508 /nfs/dbraw/zinc/99/05/08/349990508.db2.gz HZKZTSYNMRWRBA-UHFFFAOYSA-N 0 1 230.271 2.040 20 0 BEADMN COC(=O)C[C@@H](CNc1cccc(C)n1)C1CC1 ZINC000596494517 348561757 /nfs/dbraw/zinc/56/17/57/348561757.db2.gz ZNULOKSAAOIXEF-LBPRGKRZSA-N 0 1 248.326 2.391 20 0 BEADMN CCCn1nccc1CN(CC)CCSC ZINC000597157148 348666219 /nfs/dbraw/zinc/66/62/19/348666219.db2.gz DJGCHPQPOUIMOA-UHFFFAOYSA-N 0 1 241.404 2.478 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2nncn2C)CC1 ZINC000114728882 323195921 /nfs/dbraw/zinc/19/59/21/323195921.db2.gz BEYSQPHKGJTQEK-GFCCVEGCSA-N 0 1 236.363 2.073 20 0 BEADMN OCCCCNCc1c(F)ccc(F)c1Cl ZINC000623509437 362934308 /nfs/dbraw/zinc/93/43/08/362934308.db2.gz CFRKBUICOLXRLG-UHFFFAOYSA-N 0 1 249.688 2.480 20 0 BEADMN CCC(=O)N1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001639470596 1172109465 /nfs/dbraw/zinc/10/94/65/1172109465.db2.gz JTFYMRVFARVYFY-LLVKDONJSA-N 0 1 221.304 2.182 20 0 BEADMN CCN(c1nccnc1CN)C1CCCCC1 ZINC000054376926 1172110083 /nfs/dbraw/zinc/11/00/83/1172110083.db2.gz UZCBVXYLNXRHCB-UHFFFAOYSA-N 0 1 234.347 2.094 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)[C@H]1CCCC[C@H]1C ZINC000078710531 490220237 /nfs/dbraw/zinc/22/02/37/490220237.db2.gz JZRKZTXCYUQTAY-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN C/C=C/CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000599084889 349089988 /nfs/dbraw/zinc/08/99/88/349089988.db2.gz UGMMVXSGNFEDOP-MOVJSRMASA-N 0 1 223.272 2.293 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000078749685 490226409 /nfs/dbraw/zinc/22/64/09/490226409.db2.gz HHJDKLPKGLHSID-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000248374017 349126121 /nfs/dbraw/zinc/12/61/21/349126121.db2.gz NIPHEKGSFRTZHR-UWVGGRQHSA-N 0 1 238.297 2.353 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000216503114 350002301 /nfs/dbraw/zinc/00/23/01/350002301.db2.gz VTSRCWQLLWMEDO-SNVBAGLBSA-N 0 1 227.329 2.433 20 0 BEADMN Cc1csc(CN[C@H](CO)CC2CCC2)n1 ZINC000279809705 179778932 /nfs/dbraw/zinc/77/89/32/179778932.db2.gz OHMNCXPHKJYNGW-NSHDSACASA-N 0 1 240.372 2.092 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2ncccn2)C[C@H]1C ZINC000251527392 349188455 /nfs/dbraw/zinc/18/84/55/349188455.db2.gz AEWRVAOEHHGODD-IJLUTSLNSA-N 0 1 219.332 2.391 20 0 BEADMN CN(CC1CCCC1)C(=O)[C@@H]1CCCCN1C ZINC000599320002 349155013 /nfs/dbraw/zinc/15/50/13/349155013.db2.gz KEZAZHIWSYECEK-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1csc(NC(=O)[C@@H](N)c2ccccc2)n1 ZINC000019435369 179788108 /nfs/dbraw/zinc/78/81/08/179788108.db2.gz ULQSYEIYKLIPQA-JTQLQIEISA-N 0 1 247.323 2.090 20 0 BEADMN C[C@@H](NCCCC1(O)CCC1)c1nccs1 ZINC000421854522 192389851 /nfs/dbraw/zinc/38/98/51/192389851.db2.gz KTAKOMHJZNSKPA-SNVBAGLBSA-N 0 1 240.372 2.489 20 0 BEADMN Cc1cc([C@@H](C)NCCCC2(O)CCC2)no1 ZINC000421850604 192394169 /nfs/dbraw/zinc/39/41/69/192394169.db2.gz DKUVDMRLTKWOTR-LLVKDONJSA-N 0 1 238.331 2.329 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000253078537 349225832 /nfs/dbraw/zinc/22/58/32/349225832.db2.gz TVDLWEDQNSGPRY-VHSXEESVSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@H]1C ZINC000253079176 349225938 /nfs/dbraw/zinc/22/59/38/349225938.db2.gz UIWRDRMLEBNSNS-VHSXEESVSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)C[C@H]1C ZINC000253076184 349226457 /nfs/dbraw/zinc/22/64/57/349226457.db2.gz RBKULNCKJUVYES-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000253160931 349227979 /nfs/dbraw/zinc/22/79/79/349227979.db2.gz UFFDFQBADIEJQN-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599496551 349200096 /nfs/dbraw/zinc/20/00/96/349200096.db2.gz YMHZOMSADNMHRV-LBPRGKRZSA-N 0 1 213.321 2.203 20 0 BEADMN C/C=C\C[C@@H]1CCCN([C@@H](C)C(=O)OC)C1 ZINC000599693301 349246481 /nfs/dbraw/zinc/24/64/81/349246481.db2.gz ZMADHYCXEBBTKF-KBIXYVOKSA-N 0 1 225.332 2.226 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000336448807 538036552 /nfs/dbraw/zinc/03/65/52/538036552.db2.gz VQOXACVSACJTJT-XVKPBYJWSA-N 0 1 247.273 2.230 20 0 BEADMN O=C([O-])C[N@@H+](CCCCCF)C1CCCC1 ZINC000309141051 350080558 /nfs/dbraw/zinc/08/05/58/350080558.db2.gz YAWVPBNIZFYFHS-UHFFFAOYSA-N 0 1 231.311 2.455 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000309144166 350106791 /nfs/dbraw/zinc/10/67/91/350106791.db2.gz DXMWBOSEGUOCJI-MNOVXSKESA-N 0 1 245.388 2.171 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000162679987 350087921 /nfs/dbraw/zinc/08/79/21/350087921.db2.gz QAPDTBFWIQJWOG-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nnc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC000183943041 180005348 /nfs/dbraw/zinc/00/53/48/180005348.db2.gz ZFESRBREQKQSBR-YUMQZZPRSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)CCCc2ccccc2)[nH]1 ZINC000103256634 180007376 /nfs/dbraw/zinc/00/73/76/180007376.db2.gz ITAZCDYUHMQDBX-UHFFFAOYSA-N 0 1 244.298 2.075 20 0 BEADMN CCN(CC)Cc1cn2cccc(C)c2n1 ZINC000007263910 350090621 /nfs/dbraw/zinc/09/06/21/350090621.db2.gz CXGWJFAQNZDMPI-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN Cc1nnc(NC(=O)c2occc2C(C)C)[nH]1 ZINC000284122740 180015074 /nfs/dbraw/zinc/01/50/74/180015074.db2.gz VPZVSRBWFOYEOP-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1n[nH]c(NC(=O)c2occc2C(C)C)n1 ZINC000284122740 180015076 /nfs/dbraw/zinc/01/50/76/180015076.db2.gz VPZVSRBWFOYEOP-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H]2CCCO2)cs1 ZINC000022863184 180036754 /nfs/dbraw/zinc/03/67/54/180036754.db2.gz YFSRRIDSVMGOGF-PSASIEDQSA-N 0 1 226.345 2.281 20 0 BEADMN CC(C)SCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000309165920 350114313 /nfs/dbraw/zinc/11/43/13/350114313.db2.gz WEGJTXKGSJNKQI-LLVKDONJSA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2CCCOC2)cs1 ZINC000071012043 180038000 /nfs/dbraw/zinc/03/80/00/180038000.db2.gz XEALREUGTFDKEL-PSASIEDQSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@@H](C)NC[C@](C)(O)C2CC2)cs1 ZINC000336680680 180038367 /nfs/dbraw/zinc/03/83/67/180038367.db2.gz RGVFECNQMXGHSU-PELKAZGASA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@@H](C)NCCc2cnccn2)cs1 ZINC000341874143 180038479 /nfs/dbraw/zinc/03/84/79/180038479.db2.gz JYPCCXNRFRQWID-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN Cc1nc([C@@H]2CCCN(Cc3ccco3)C2)no1 ZINC000378349871 180042262 /nfs/dbraw/zinc/04/22/62/180042262.db2.gz LLZRSNWUDTYYTH-LLVKDONJSA-N 0 1 247.298 2.351 20 0 BEADMN Cc1nc([C@H](C)NCC2(C)COC2)cs1 ZINC000087197166 180048587 /nfs/dbraw/zinc/04/85/87/180048587.db2.gz HVPVIGCVFONKIJ-QMMMGPOBSA-N 0 1 226.345 2.139 20 0 BEADMN Cc1nc([C@H](C)NC[C@H](CO)C(C)C)cs1 ZINC000336681782 180048891 /nfs/dbraw/zinc/04/88/91/180048891.db2.gz RRBIVUQEWCMRIT-GXSJLCMTSA-N 0 1 242.388 2.367 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)CCCO)cs1 ZINC000087358131 180050361 /nfs/dbraw/zinc/05/03/61/180050361.db2.gz UAGBZTMPCCBXGA-IUCAKERBSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)cs1 ZINC000226723701 180050444 /nfs/dbraw/zinc/05/04/44/180050444.db2.gz AAGAPUPIZLUSBC-WHGOUJPWSA-N 0 1 240.372 2.262 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CO)C(C)C)cs1 ZINC000086120362 180050768 /nfs/dbraw/zinc/05/07/68/180050768.db2.gz FWKKWQVUHXWWMI-WCBMZHEXSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCC[C@H]2O)cs1 ZINC000271494751 180051819 /nfs/dbraw/zinc/05/18/19/180051819.db2.gz MIVSIUWYTDAVMA-JVUFJMBOSA-N 0 1 226.345 2.016 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H]3CC3(C)C)c2[nH]1 ZINC000283530786 180061695 /nfs/dbraw/zinc/06/16/95/180061695.db2.gz RJLDMBMTYAEMAZ-NSHDSACASA-N 0 1 243.310 2.400 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCCCO2)[nH]1 ZINC000283100518 180062188 /nfs/dbraw/zinc/06/21/88/180062188.db2.gz LZLYDAUAHJMLAN-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000304187462 350148133 /nfs/dbraw/zinc/14/81/33/350148133.db2.gz PPPNPSPJZBCSAZ-VHSXEESVSA-N 0 1 247.285 2.218 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304629455 350158837 /nfs/dbraw/zinc/15/88/37/350158837.db2.gz QKQYEJPJHZJUGM-IUCAKERBSA-N 0 1 238.287 2.136 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2NC1CC2(CCC2)C1 ZINC000336470783 180110508 /nfs/dbraw/zinc/11/05/08/180110508.db2.gz SHZDEXZIKLCHEN-GFCCVEGCSA-N 0 1 246.358 2.344 20 0 BEADMN Cc1ncc(CN(C(C)C)[C@H]2CCOC2)s1 ZINC000361066356 180137806 /nfs/dbraw/zinc/13/78/06/180137806.db2.gz NWWGWHSEBGZVLN-NSHDSACASA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc(CN(C)CCC[C@H](C)O)s1 ZINC000336706209 180138617 /nfs/dbraw/zinc/13/86/17/180138617.db2.gz RNEZWZDKSXEWMV-VIFPVBQESA-N 0 1 228.361 2.044 20 0 BEADMN Cc1nc2sccn2c1CN(C)CCCF ZINC000268935764 180117571 /nfs/dbraw/zinc/11/75/71/180117571.db2.gz GUGRQQXNTPNARL-UHFFFAOYSA-N 0 1 241.335 2.496 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H](C)C(C)(C)C)[nH]1 ZINC000336510154 180125936 /nfs/dbraw/zinc/12/59/36/180125936.db2.gz GUYQMFDZQSEKCO-MRVPVSSYSA-N 0 1 223.320 2.225 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)[nH]1 ZINC000354724589 180128176 /nfs/dbraw/zinc/12/81/76/180128176.db2.gz DMUFJLIZQPCIFH-KXUCPTDWSA-N 0 1 235.331 2.225 20 0 BEADMN Cc1ncc(CNCc2cccnc2)s1 ZINC000037505267 180154208 /nfs/dbraw/zinc/15/42/08/180154208.db2.gz ZTNGOUTWZKDHKO-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2ccnn2C)s1 ZINC000235527456 180154467 /nfs/dbraw/zinc/15/44/67/180154467.db2.gz PYJPOAUNMCSORW-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1ncc(CNCc2cccc(O)c2)s1 ZINC000040997498 180155069 /nfs/dbraw/zinc/15/50/69/180155069.db2.gz HAQIUQKIBUCDMA-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CC(C)[C@H](C(=O)Nc1ccccc1F)N(C)C ZINC000106407898 191068226 /nfs/dbraw/zinc/06/82/26/191068226.db2.gz NXDUJBWMPJTRNF-GFCCVEGCSA-N 0 1 238.306 2.350 20 0 BEADMN Cc1ncc([C@@H](C)N[C@H](C)c2cn[nH]c2)c(C)n1 ZINC000271494426 180172903 /nfs/dbraw/zinc/17/29/03/180172903.db2.gz LHUVBJHBSVAWEQ-RKDXNWHRSA-N 0 1 245.330 2.228 20 0 BEADMN Cc1ncc(CN2C[C@@H]3C[C@H]2CS3)s1 ZINC000335154154 180146650 /nfs/dbraw/zinc/14/66/50/180146650.db2.gz GFDHXRVNGILDOM-IUCAKERBSA-N 0 1 226.370 2.141 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000427417097 191074108 /nfs/dbraw/zinc/07/41/08/191074108.db2.gz ZBSFLUUCVADQQT-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CC[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000604768170 350185647 /nfs/dbraw/zinc/18/56/47/350185647.db2.gz YICXAEYPUDUMOY-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1ncc(CNCc2ccc(F)c(F)c2)cn1 ZINC000340404679 180152807 /nfs/dbraw/zinc/15/28/07/180152807.db2.gz CMKZTCBVMSKNML-UHFFFAOYSA-N 0 1 249.264 2.353 20 0 BEADMN CC[C@H](C)C[S@@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427474116 191076739 /nfs/dbraw/zinc/07/67/39/191076739.db2.gz ZYUVZWLNCKGVDG-XXFAHNHDSA-N 0 1 243.376 2.223 20 0 BEADMN Cc1nccc(NCc2cnn(C)c2)c1Cl ZINC000309439907 180203710 /nfs/dbraw/zinc/20/37/10/180203710.db2.gz ZFNLGCXLZKNMHD-UHFFFAOYSA-N 0 1 236.706 2.389 20 0 BEADMN Cc1nccc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC000339563434 180179127 /nfs/dbraw/zinc/17/91/27/180179127.db2.gz FHVSGUYFQGGRQV-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000034507670 350267041 /nfs/dbraw/zinc/26/70/41/350267041.db2.gz POOCCZRBFJANIC-OCCSQVGLSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000034507670 350267043 /nfs/dbraw/zinc/26/70/43/350267043.db2.gz POOCCZRBFJANIC-OCCSQVGLSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000034507669 350267084 /nfs/dbraw/zinc/26/70/84/350267084.db2.gz POOCCZRBFJANIC-JSGCOSHPSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000034507669 350267088 /nfs/dbraw/zinc/26/70/88/350267088.db2.gz POOCCZRBFJANIC-JSGCOSHPSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000034507672 350267107 /nfs/dbraw/zinc/26/71/07/350267107.db2.gz POOCCZRBFJANIC-TZMCWYRMSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccccc1 ZINC000034507672 350267111 /nfs/dbraw/zinc/26/71/11/350267111.db2.gz POOCCZRBFJANIC-TZMCWYRMSA-N 0 1 246.354 2.348 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1CCC1 ZINC000130880070 490458137 /nfs/dbraw/zinc/45/81/37/490458137.db2.gz GKGHOKJWTXXOTN-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCCN1C ZINC000606357110 350318152 /nfs/dbraw/zinc/31/81/52/350318152.db2.gz MEZPJLVYJBNLNA-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1c2c(F)cccc2CCN1CCCO ZINC000606449978 350339547 /nfs/dbraw/zinc/33/95/47/350339547.db2.gz KVNQVYCCCHVIFN-SNVBAGLBSA-N 0 1 223.291 2.127 20 0 BEADMN Cc1ncsc1CN(C)CCOC(C)C ZINC000066565744 180313687 /nfs/dbraw/zinc/31/36/87/180313687.db2.gz IDHQDLCYIXKMET-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN Cc1ncsc1CN1CCCO[C@@H](C)C1 ZINC000179401026 180314790 /nfs/dbraw/zinc/31/47/90/180314790.db2.gz WWGJBOSHYFZBPO-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncsc1CC[N@H+]1CCCO[C@@H](C)C1 ZINC000172533511 180310065 /nfs/dbraw/zinc/31/00/65/180310065.db2.gz XGYIYVYSXQWZCT-JTQLQIEISA-N 0 1 240.372 2.105 20 0 BEADMN O=C(N[C@]12C[C@H]1CCC2)c1ccc2cncn2c1 ZINC000617215544 350385847 /nfs/dbraw/zinc/38/58/47/350385847.db2.gz FKBSYAIISOFPAF-BXUZGUMPSA-N 0 1 241.294 2.007 20 0 BEADMN Cc1ncsc1CNCc1cccc(O)c1 ZINC000070836572 180322146 /nfs/dbraw/zinc/32/21/46/180322146.db2.gz CQPVABOMVPDSGH-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@@H]1CC1(C)C ZINC000136157975 180352134 /nfs/dbraw/zinc/35/21/34/180352134.db2.gz GIOWCKOKLPNURB-SECBINFHSA-N 0 1 227.739 2.270 20 0 BEADMN Cc1ccncc1CNCc1cccc(O)c1 ZINC000162692326 350411392 /nfs/dbraw/zinc/41/13/92/350411392.db2.gz JVFZWCOMUBCJBM-UHFFFAOYSA-N 0 1 228.295 2.385 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccccc1F ZINC000020091164 180339841 /nfs/dbraw/zinc/33/98/41/180339841.db2.gz JGHBLSAMZTVCJI-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H]1CCC[C@@H]1F ZINC000336365971 180341090 /nfs/dbraw/zinc/34/10/90/180341090.db2.gz XWUHSBNOYVYJRK-NWDGAFQWSA-N 0 1 225.311 2.017 20 0 BEADMN CCN(Cc1nc(C)sc1C)CC(C)(C)O ZINC000336681533 350441298 /nfs/dbraw/zinc/44/12/98/350441298.db2.gz QSNAKPDUIFDACI-UHFFFAOYSA-N 0 1 242.388 2.353 20 0 BEADMN CC[C@@H]1CCCN1CCCS(=O)(=O)C(C)C ZINC000336681663 350441563 /nfs/dbraw/zinc/44/15/63/350441563.db2.gz REFALOVZUGMZMO-GFCCVEGCSA-N 0 1 247.404 2.074 20 0 BEADMN CCN(Cc1cnns1)CC(C)(C)C ZINC000336687408 350443352 /nfs/dbraw/zinc/44/33/52/350443352.db2.gz MTSOVEQGCFKBQV-UHFFFAOYSA-N 0 1 213.350 2.406 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000340524197 180383628 /nfs/dbraw/zinc/38/36/28/180383628.db2.gz CQXLHHSFPKUEAD-KPXOXKRLSA-N 0 1 225.311 2.270 20 0 BEADMN CC[C@@H](O)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000336776056 350509035 /nfs/dbraw/zinc/50/90/35/350509035.db2.gz DOHSMHVNIGISAC-DTWKUNHWSA-N 0 1 240.372 2.053 20 0 BEADMN Cc1ncc(CNCCOCc2ccccc2)o1 ZINC000397938622 362962015 /nfs/dbraw/zinc/96/20/15/362962015.db2.gz HMQCNCYDDXGEDS-UHFFFAOYSA-N 0 1 246.310 2.289 20 0 BEADMN CCc1noc(C)c1CN(C)C[C@@H]1CCCO1 ZINC000163411214 350521215 /nfs/dbraw/zinc/52/12/15/350521215.db2.gz QMYCHPWVIPKRER-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CC(C)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000443994603 191111291 /nfs/dbraw/zinc/11/12/91/191111291.db2.gz LJMOSMHLOOYKDV-JTQLQIEISA-N 0 1 245.330 2.225 20 0 BEADMN CCC(CC)CSc1nc(N)cc(N)n1 ZINC000129168378 490602007 /nfs/dbraw/zinc/60/20/07/490602007.db2.gz BDOMKCHIAGICQK-UHFFFAOYSA-N 0 1 226.349 2.169 20 0 BEADMN CCN1CCN(C[C@@H](C)CC(C)C)[C@H](C)C1=O ZINC000337206067 350564296 /nfs/dbraw/zinc/56/42/96/350564296.db2.gz LWQHENQPJXVWQT-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN O[C@H](CN1CCCC1)c1c(F)cccc1F ZINC000051086021 350603946 /nfs/dbraw/zinc/60/39/46/350603946.db2.gz DWQATXBYLBVOTB-LLVKDONJSA-N 0 1 227.254 2.094 20 0 BEADMN CC1(C)CNC(=O)CN1CCC1CCCCC1 ZINC000337427123 350584344 /nfs/dbraw/zinc/58/43/44/350584344.db2.gz SVSKKQDMWAMWNA-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC[C@H](C)C(=O)NCCN1CC=CCC1 ZINC000337554805 350594510 /nfs/dbraw/zinc/59/45/10/350594510.db2.gz ISEMOKDUDHNAOG-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1nnc([C@@H](C)NCCCCF)s1 ZINC000308684257 180442310 /nfs/dbraw/zinc/44/23/10/180442310.db2.gz YSLAJEMSLJUOAS-SSDOTTSWSA-N 0 1 217.313 2.247 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C)[C@@H]1C ZINC000339572835 350765011 /nfs/dbraw/zinc/76/50/11/350765011.db2.gz YIFQTINDVVWWTA-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CN(C(=O)CN1C[C@H](C)[C@H]1C)C(C)C ZINC000339561220 350766152 /nfs/dbraw/zinc/76/61/52/350766152.db2.gz DVQMRVVXHVPENN-QWHCGFSZSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000628309392 350785460 /nfs/dbraw/zinc/78/54/60/350785460.db2.gz SCUBKQGMKNZSLN-NEPJUHHUSA-N 0 1 236.315 2.209 20 0 BEADMN COCCN(Cc1ccccc1OC)C1CC1 ZINC000052182790 350940617 /nfs/dbraw/zinc/94/06/17/350940617.db2.gz GOKVQNBKINTHDA-UHFFFAOYSA-N 0 1 235.327 2.306 20 0 BEADMN CCN(CCC(F)(F)F)C(=O)c1cc(C)[nH]n1 ZINC000623093081 350880631 /nfs/dbraw/zinc/88/06/31/350880631.db2.gz PJGPVSQYGBWKBI-UHFFFAOYSA-N 0 1 249.236 2.133 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]3CCCC[C@@H]32)n1C ZINC000052440213 351000447 /nfs/dbraw/zinc/00/04/47/351000447.db2.gz VQQIBAYQQVUOPY-STQMWFEESA-N 0 1 248.374 2.278 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(CC)CC1 ZINC000052280016 350942616 /nfs/dbraw/zinc/94/26/16/350942616.db2.gz OCRVUEUSIYVYGL-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CCC(CC)CC1 ZINC000052279570 350942992 /nfs/dbraw/zinc/94/29/92/350942992.db2.gz SDTUGEYPSHSXMP-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CCn1cccn1)CCC(F)(F)F ZINC000623121489 351053507 /nfs/dbraw/zinc/05/35/07/351053507.db2.gz YQCZYUYHYACLON-UHFFFAOYSA-N 0 1 235.253 2.157 20 0 BEADMN CC(C)[C@H](C[NH2+]Cc1cnn[n-]1)c1ccccc1 ZINC000398364582 351122881 /nfs/dbraw/zinc/12/28/81/351122881.db2.gz ZBLLKQJLPGIMKW-AWEZNQCLSA-N 0 1 244.342 2.334 20 0 BEADMN CC(C)[C@@H](C[NH2+]Cc1cnn[n-]1)c1ccccc1 ZINC000398364585 351123157 /nfs/dbraw/zinc/12/31/57/351123157.db2.gz ZBLLKQJLPGIMKW-CQSZACIVSA-N 0 1 244.342 2.334 20 0 BEADMN CCc1nc(CNCCC2(O)CCC2)cs1 ZINC000283855213 351079461 /nfs/dbraw/zinc/07/94/61/351079461.db2.gz GAIJWEDYLVYOFU-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CC(C)[C@@H]1CC[C@H]([NH2+]Cc2cnn[n-]2)C[C@H]1C ZINC000623577865 363009540 /nfs/dbraw/zinc/00/95/40/363009540.db2.gz JKCIJJODUJDQFY-MDZLAQPJSA-N 0 1 236.363 2.355 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398413600 351141576 /nfs/dbraw/zinc/14/15/76/351141576.db2.gz ROALTWSCYWFCSV-GHMZBOCLSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083405227 351263601 /nfs/dbraw/zinc/26/36/01/351263601.db2.gz DYOOKQTYVYURGQ-VIFPVBQESA-N 0 1 223.272 2.280 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)COCC2CC2)o1 ZINC000628325254 351251100 /nfs/dbraw/zinc/25/11/00/351251100.db2.gz FADHEUKOGNFUIT-VIFPVBQESA-N 0 1 238.331 2.196 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CN1CCn2nncc2C1 ZINC000628326914 351262344 /nfs/dbraw/zinc/26/23/44/351262344.db2.gz AKFFKIUPVMGPAQ-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCC[C@H](C)O2)o1 ZINC000628339199 351283098 /nfs/dbraw/zinc/28/30/98/351283098.db2.gz IACFZULTKMHUGE-ONGXEEELSA-N 0 1 224.304 2.030 20 0 BEADMN CC1(C)CCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000267372129 351308070 /nfs/dbraw/zinc/30/80/70/351308070.db2.gz GDHNFNHJSLWXPW-NSHDSACASA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN1CCc2nn[nH]c2C1 ZINC000628352526 351316406 /nfs/dbraw/zinc/31/64/06/351316406.db2.gz LTKJRMHERRPMQG-VXGBXAGGSA-N 0 1 248.374 2.379 20 0 BEADMN Cc1cc(F)ccc1C[N@@H+](C)CCC(=O)[O-] ZINC000083410484 351266988 /nfs/dbraw/zinc/26/69/88/351266988.db2.gz WFSNFQOKFSZVMZ-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN Cc1ncccc1CNCc1ccns1 ZINC000404298223 351341282 /nfs/dbraw/zinc/34/12/82/351341282.db2.gz FDMBSCYYJHAKIZ-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1ccncc1CNCc1ccns1 ZINC000404407356 351426509 /nfs/dbraw/zinc/42/65/09/351426509.db2.gz FGZFRXRLTDXJRI-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CCC[C@@H](CNCc1nc(C)c(C)[nH]1)OCC ZINC000623599797 363038777 /nfs/dbraw/zinc/03/87/77/363038777.db2.gz RHMSSFIHFDZNJD-LBPRGKRZSA-N 0 1 239.363 2.321 20 0 BEADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@H]1C ZINC000307205206 351607940 /nfs/dbraw/zinc/60/79/40/351607940.db2.gz GKZHWXUWTAXPDP-BDAKNGLRSA-N 0 1 225.723 2.360 20 0 BEADMN CC[C@@H]1CCC[C@H]1N=c1nc(COC)[n-]s1 ZINC000336728486 351561336 /nfs/dbraw/zinc/56/13/36/351561336.db2.gz HEITURDMHPTVMO-RKDXNWHRSA-N 0 1 241.360 2.097 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276644459 351640523 /nfs/dbraw/zinc/64/05/23/351640523.db2.gz DCDUCPUTTDQQNW-GFCCVEGCSA-N 0 1 247.298 2.235 20 0 BEADMN CCN(Cc1ccc(F)cn1)C[C@@H]1CCCO1 ZINC000276388507 351619136 /nfs/dbraw/zinc/61/91/36/351619136.db2.gz RSBCXWCLBGWBMF-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H](N(C)C(=O)[C@@H](C)Cc1cnc[nH]1)C1(C)CC1 ZINC000577647082 366031157 /nfs/dbraw/zinc/03/11/57/366031157.db2.gz GCRYGJWPKCQDTQ-WDEREUQCSA-N 0 1 249.358 2.235 20 0 BEADMN COc1ncc(CN2CCC[C@H](C)C2)s1 ZINC000637832620 351682123 /nfs/dbraw/zinc/68/21/23/351682123.db2.gz KYNIXVMCNHYZQI-VIFPVBQESA-N 0 1 226.345 2.384 20 0 BEADMN C[C@H]1CCCCN1Cc1cc2c(cn1)OCCO2 ZINC000637836771 351690340 /nfs/dbraw/zinc/69/03/40/351690340.db2.gz UALAALMZDXRICY-NSHDSACASA-N 0 1 248.326 2.227 20 0 BEADMN CCCCN(CCO)Cc1cc(C)ns1 ZINC000637837854 351692541 /nfs/dbraw/zinc/69/25/41/351692541.db2.gz MZSWJMZEIPOLHV-UHFFFAOYSA-N 0 1 228.361 2.046 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000637842238 351699096 /nfs/dbraw/zinc/69/90/96/351699096.db2.gz SBAFYHNJSQQLFD-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccn(C)n1 ZINC000631702691 363082302 /nfs/dbraw/zinc/08/23/02/363082302.db2.gz KYBOCJJHQVRCMF-MPPDQPJWSA-N 0 1 237.347 2.027 20 0 BEADMN CO[C@]1(C)C[C@H](N(C)Cc2ccno2)C1(C)C ZINC000072897815 351735954 /nfs/dbraw/zinc/73/59/54/351735954.db2.gz OLDDJGGOGPPWTG-WCQYABFASA-N 0 1 238.331 2.310 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000177845680 366064157 /nfs/dbraw/zinc/06/41/57/366064157.db2.gz OTCYIGJXALWZSC-MRVPVSSYSA-N 0 1 232.287 2.189 20 0 BEADMN Cc1ccc(CN(CCO)C2CC2)c(F)c1 ZINC000637909123 351783832 /nfs/dbraw/zinc/78/38/32/351783832.db2.gz GKCZQZUJCOWXLG-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN c1cc(CN[C@H]2CC23CCCCC3)n[nH]1 ZINC000386953293 363089118 /nfs/dbraw/zinc/08/91/18/363089118.db2.gz XEPSYSWCCXBCNO-NSHDSACASA-N 0 1 205.305 2.222 20 0 BEADMN CC[N@H+](Cc1ccns1)C[C@H]1CCOC1 ZINC000637925241 351798240 /nfs/dbraw/zinc/79/82/40/351798240.db2.gz ANLNLZXDQCFQNO-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN c1cnc2cc(CN3CCSCC3)ccc2n1 ZINC000637888604 351760480 /nfs/dbraw/zinc/76/04/80/351760480.db2.gz GGLUSXNFNMTAGW-UHFFFAOYSA-N 0 1 245.351 2.179 20 0 BEADMN COCCN(C)Cc1ccc(C(F)F)nc1 ZINC000637891807 351764171 /nfs/dbraw/zinc/76/41/71/351764171.db2.gz DTVZPWLJDOHCFI-UHFFFAOYSA-N 0 1 230.258 2.097 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC000348091007 366082028 /nfs/dbraw/zinc/08/20/28/366082028.db2.gz ZGQSXZISIJTGJM-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H](NC(=O)CCc1cnc[nH]1)[C@H]1CC1(C)C ZINC000577840449 366079539 /nfs/dbraw/zinc/07/95/39/366079539.db2.gz XMFMCXLBUBWTTD-VXGBXAGGSA-N 0 1 249.358 2.283 20 0 BEADMN CCCCCC[N@@H+](CCC)CC(=O)[O-] ZINC000038021863 168659412 /nfs/dbraw/zinc/65/94/12/168659412.db2.gz NYJPEQRCGFYTFH-UHFFFAOYSA-N 0 1 201.310 2.363 20 0 BEADMN COc1ncc(CN2CCC[C@@H]2C)s1 ZINC000638067145 351939846 /nfs/dbraw/zinc/93/98/46/351939846.db2.gz AVXFGNXXOAQSRU-QMMMGPOBSA-N 0 1 212.318 2.136 20 0 BEADMN CC1(C)CCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000638068669 351940797 /nfs/dbraw/zinc/94/07/97/351940797.db2.gz JWNQUDPQMAOMKD-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC[C@H](C)C(C)C ZINC000638011212 351887815 /nfs/dbraw/zinc/88/78/15/351887815.db2.gz IIFSKRWTHFLBOI-JTQLQIEISA-N 0 1 238.331 2.069 20 0 BEADMN CCN(C(=O)c1oc(CN)cc1C)C1CCC1 ZINC000638011442 351889469 /nfs/dbraw/zinc/88/94/69/351889469.db2.gz WDXZTJMRHHVZIW-UHFFFAOYSA-N 0 1 236.315 2.061 20 0 BEADMN Cc1cc(CN2CCC([C@H](C)O)CC2)sn1 ZINC000638013773 351890936 /nfs/dbraw/zinc/89/09/36/351890936.db2.gz DWEKWOQMIOOGGW-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN C[N@H+](Cc1ccns1)C[C@@H]1CCCOC1 ZINC000638035986 351916885 /nfs/dbraw/zinc/91/68/85/351916885.db2.gz KJDWFAKVANNAKI-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN CN(Cc1ccns1)C[C@@H]1CCCOC1 ZINC000638035986 351916887 /nfs/dbraw/zinc/91/68/87/351916887.db2.gz KJDWFAKVANNAKI-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN Cc1cc(CN(C)[C@@H](CO)C(C)(C)C)sn1 ZINC000638145403 352008338 /nfs/dbraw/zinc/00/83/38/352008338.db2.gz JKHMIGXCHLFRAP-NSHDSACASA-N 0 1 242.388 2.290 20 0 BEADMN CC[C@@H](NC(=O)c1ccc2cncn2c1)C1CC1 ZINC000618872079 351972083 /nfs/dbraw/zinc/97/20/83/351972083.db2.gz RRZRAZNKZXGYAG-CYBMUJFWSA-N 0 1 243.310 2.253 20 0 BEADMN CCC[C@@H](CN1CCO[C@@H](CCC)C1)OC ZINC000638096872 351977172 /nfs/dbraw/zinc/97/71/72/351977172.db2.gz SHIJRNCEMSCYFD-STQMWFEESA-N 0 1 229.364 2.302 20 0 BEADMN CN(CCC1CCOCC1)Cc1ccns1 ZINC000638105610 351983647 /nfs/dbraw/zinc/98/36/47/351983647.db2.gz AHSBQEHXCUNUMT-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN Cc1cccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)n1 ZINC000638110309 351986599 /nfs/dbraw/zinc/98/65/99/351986599.db2.gz DDOLXUNXHUCONC-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN Cc1cccc(CN(C)Cc2ccc(=O)[nH]c2)n1 ZINC000638110309 351986603 /nfs/dbraw/zinc/98/66/03/351986603.db2.gz DDOLXUNXHUCONC-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)N1CCNC[C@@H]1C ZINC000638149934 352013619 /nfs/dbraw/zinc/01/36/19/352013619.db2.gz HIIJMPJJXLPBSY-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)N1CCNC[C@@H]1C ZINC000638149933 352013792 /nfs/dbraw/zinc/01/37/92/352013792.db2.gz HIIJMPJJXLPBSY-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000638190791 352055623 /nfs/dbraw/zinc/05/56/23/352055623.db2.gz SBAFYHNJSQQLFD-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@](C)(C[N@@H+](C)CCc1nccs1)OC ZINC000638155358 352017234 /nfs/dbraw/zinc/01/72/34/352017234.db2.gz XLRBWTRODMNZGI-LBPRGKRZSA-N 0 1 242.388 2.433 20 0 BEADMN c1cc(C[N@H+]2CCC3(C2)CCOCC3)sn1 ZINC000638157436 352021636 /nfs/dbraw/zinc/02/16/36/352021636.db2.gz XQTMVKHEAFEJKJ-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN CCc1nc(CSc2ncccc2C)n[nH]1 ZINC000286583036 352094776 /nfs/dbraw/zinc/09/47/76/352094776.db2.gz ROAPGDNHMZDNRY-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1cc(CNC[C@H](OC)[C@H](C)CC)on1 ZINC000638274873 352110277 /nfs/dbraw/zinc/11/02/77/352110277.db2.gz PVXQGFYTFYBHIA-MFKMUULPSA-N 0 1 240.347 2.388 20 0 BEADMN CCc1cc(CN[C@H]2CS[C@@H](C)C2)on1 ZINC000638276045 352112939 /nfs/dbraw/zinc/11/29/39/352112939.db2.gz WKKIDYOKVBKBEK-WCBMZHEXSA-N 0 1 226.345 2.221 20 0 BEADMN COc1ncc(CN2CC[C@H]2C(C)C)s1 ZINC000638276598 352114049 /nfs/dbraw/zinc/11/40/49/352114049.db2.gz SWIBATJLPBRVPQ-JTQLQIEISA-N 0 1 226.345 2.382 20 0 BEADMN CCN1CCN(Cc2ccc(C)o2)[C@H](C)C1 ZINC000289797903 352198079 /nfs/dbraw/zinc/19/80/79/352198079.db2.gz SJABRMQTXFTIFI-LLVKDONJSA-N 0 1 222.332 2.114 20 0 BEADMN COc1cccc(C)c1CNCc1ccnn1C ZINC000638356817 352170807 /nfs/dbraw/zinc/17/08/07/352170807.db2.gz LBFJWXFDHLSKKZ-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccccn2)[C@@H]1[C@@H]1CCCO1 ZINC000289811316 352198735 /nfs/dbraw/zinc/19/87/35/352198735.db2.gz OHQMPEICLWIDJH-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CC1(C)CN(Cc2ccccn2)[C@@H]1[C@@H]1CCCO1 ZINC000289811316 352198738 /nfs/dbraw/zinc/19/87/38/352198738.db2.gz OHQMPEICLWIDJH-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CC1(C)CN(Cc2ccncc2)[C@H]1[C@@H]1CCCO1 ZINC000289917242 352202852 /nfs/dbraw/zinc/20/28/52/352202852.db2.gz UMLRTPTVFPHSBK-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)c1oc(CN)cc1C ZINC000638403446 352209889 /nfs/dbraw/zinc/20/98/89/352209889.db2.gz TYIBINSGOCFOKK-SNVBAGLBSA-N 0 1 238.331 2.307 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1nccnc1C ZINC000527975811 323738329 /nfs/dbraw/zinc/73/83/29/323738329.db2.gz BKYDRZXYEOUFJK-WZRBSPASSA-N 0 1 235.331 2.003 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCc1cccnc1 ZINC000172166693 187646913 /nfs/dbraw/zinc/64/69/13/187646913.db2.gz FIOKIMCRQZRMSG-OAHLLOKOSA-N 0 1 248.370 2.371 20 0 BEADMN CC(C)n1ccnc1CN[C@@]12C[C@@H]1COC2(C)C ZINC000623622766 363161349 /nfs/dbraw/zinc/16/13/49/363161349.db2.gz FMKZGHVYYDXHMS-RISCZKNCSA-N 0 1 249.358 2.121 20 0 BEADMN CCCN(CCC)[C@H](C)c1nc(COC)no1 ZINC000411170709 191166390 /nfs/dbraw/zinc/16/63/90/191166390.db2.gz XRVYKDKXTNDGEY-SNVBAGLBSA-N 0 1 241.335 2.399 20 0 BEADMN CCN(Cc1cc(F)ccc1OC)[C@H](C)CO ZINC000292338940 352315856 /nfs/dbraw/zinc/31/58/56/352315856.db2.gz WVDHKHHVLKZCPU-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CC[C@@H](C)c1cccc(NC(=O)CN)c1 ZINC000638467680 352279815 /nfs/dbraw/zinc/27/98/15/352279815.db2.gz OELCADIWVFLHGF-SECBINFHSA-N 0 1 206.289 2.097 20 0 BEADMN CCN(Cc1[nH]ncc1C)Cc1ccncc1 ZINC000291684400 352285645 /nfs/dbraw/zinc/28/56/45/352285645.db2.gz XLSZVCANTZHNOJ-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN C[C@H](CC1CCC1)NCc1csnn1 ZINC000398255439 363183143 /nfs/dbraw/zinc/18/31/43/363183143.db2.gz ZCJHWJKLSNOIKN-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000077373855 352309698 /nfs/dbraw/zinc/30/96/98/352309698.db2.gz PKRQQFSOSWUICW-LBPRGKRZSA-N 0 1 237.274 2.293 20 0 BEADMN CC[C@@H](C)CN(C)[C@H](C)c1nnc(C)[nH]1 ZINC000411256967 191172159 /nfs/dbraw/zinc/17/21/59/191172159.db2.gz RSHMGNWJKBTFKF-RKDXNWHRSA-N 0 1 210.325 2.152 20 0 BEADMN CCc1cnc(CNc2nnc(C(F)F)o2)o1 ZINC000293157757 352340979 /nfs/dbraw/zinc/34/09/79/352340979.db2.gz RWSHONDZMLUBBQ-UHFFFAOYSA-N 0 1 244.201 2.170 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)Cc1n[nH]c(C)n1 ZINC000293259185 352343642 /nfs/dbraw/zinc/34/36/42/352343642.db2.gz RWPGQABQUVISAX-LBPRGKRZSA-N 0 1 245.330 2.091 20 0 BEADMN CCN(Cc1ccncc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411425239 191186164 /nfs/dbraw/zinc/18/61/64/191186164.db2.gz MDUDLYNVRCPXLJ-JTQLQIEISA-N 0 1 245.330 2.091 20 0 BEADMN CCn1ccnc1[C@@H]1CCCCN1CC ZINC000294296128 352374010 /nfs/dbraw/zinc/37/40/10/352374010.db2.gz WSULCGHRHWLTME-NSHDSACASA-N 0 1 207.321 2.450 20 0 BEADMN CN(C)c1cccc(CNCc2ccns2)c1 ZINC000638550041 352379223 /nfs/dbraw/zinc/37/92/23/352379223.db2.gz MDFOLGZVPDFFQJ-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN CCOC[C@@H](C)NCc1cccc(F)c1F ZINC000044723803 352385108 /nfs/dbraw/zinc/38/51/08/352385108.db2.gz IFDFRQPPXFBIPS-SECBINFHSA-N 0 1 229.270 2.479 20 0 BEADMN Cc1nnc([C@@H](C)N(C)C[C@H]2CC=CCC2)[nH]1 ZINC000411515502 191191027 /nfs/dbraw/zinc/19/10/27/191191027.db2.gz VWHVKNNPAKSLFY-PWSUYJOCSA-N 0 1 234.347 2.462 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(NC)cc1 ZINC000638563426 352388691 /nfs/dbraw/zinc/38/86/91/352388691.db2.gz NZGUEDLKUQHCDF-UHFFFAOYSA-N 0 1 235.331 2.009 20 0 BEADMN CCC[C@@](C)(O)CNCc1nc2ccccc2o1 ZINC000638588416 352420259 /nfs/dbraw/zinc/42/02/59/352420259.db2.gz PBRMWCQEYHFORX-CQSZACIVSA-N 0 1 248.326 2.469 20 0 BEADMN CCN(CC1CCC1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411674669 191205385 /nfs/dbraw/zinc/20/53/85/191205385.db2.gz YTTDJWMBFAGQQV-VIFPVBQESA-N 0 1 222.336 2.296 20 0 BEADMN CC[C@H](F)CN1CCC(c2ccncn2)CC1 ZINC000411834141 191214323 /nfs/dbraw/zinc/21/43/23/191214323.db2.gz MXAXNCKDBMXGAN-LBPRGKRZSA-N 0 1 237.322 2.404 20 0 BEADMN c1cc(CCN2CCO[C@@H](C3CCC3)C2)ccn1 ZINC000411838135 191216505 /nfs/dbraw/zinc/21/65/05/191216505.db2.gz APEDUOVOSCEBDI-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@@H](NC(=O)c1ccc(F)cc1O)C1CCC1 ZINC000152520087 538104612 /nfs/dbraw/zinc/10/46/12/538104612.db2.gz GAFLXARAAQZNEU-MRVPVSSYSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cnc(CNC[C@@H](C)c2ccncc2)o1 ZINC000638720963 352571485 /nfs/dbraw/zinc/57/14/85/352571485.db2.gz VVMPDKMGIKHZCU-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN CC[C@@](C)(CN[C@@H](COC)c1ccco1)OC ZINC000638721661 352572758 /nfs/dbraw/zinc/57/27/58/352572758.db2.gz LQDVGQVEKNPZLM-AAEUAGOBSA-N 0 1 241.331 2.372 20 0 BEADMN C[C@H](NC(=O)c1ccc(F)cc1O)C1CCC1 ZINC000152520007 538104617 /nfs/dbraw/zinc/10/46/17/538104617.db2.gz GAFLXARAAQZNEU-QMMMGPOBSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCCCC3)no2)on1 ZINC000044587940 352655505 /nfs/dbraw/zinc/65/55/05/352655505.db2.gz IYRXTEWIIFQZIX-UHFFFAOYSA-N 0 1 248.286 2.151 20 0 BEADMN FCCCNCc1nc2ccccc2o1 ZINC000638755762 352689437 /nfs/dbraw/zinc/68/94/37/352689437.db2.gz AMPGIOLUWQFBAR-UHFFFAOYSA-N 0 1 208.236 2.277 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1cscn1)C1CC1 ZINC000411961223 191235124 /nfs/dbraw/zinc/23/51/24/191235124.db2.gz ZRBBNRPHBKORDQ-CABZTGNLSA-N 0 1 240.372 2.436 20 0 BEADMN C[C@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)CS1 ZINC000638761526 352698512 /nfs/dbraw/zinc/69/85/12/352698512.db2.gz DKAPGDRYKDTCAH-IONNQARKSA-N 0 1 234.328 2.264 20 0 BEADMN C[C@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)CS1 ZINC000638761526 352698514 /nfs/dbraw/zinc/69/85/14/352698514.db2.gz DKAPGDRYKDTCAH-IONNQARKSA-N 0 1 234.328 2.264 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)c2ncnc3[nH]cnc32)C1 ZINC000073772057 352728654 /nfs/dbraw/zinc/72/86/54/352728654.db2.gz FBXJJBYWIFYEPI-ZJUUUORDSA-N 0 1 245.330 2.368 20 0 BEADMN CCN(Cc1cc[nH]n1)C1CC(C)(C)C1 ZINC000412036381 191246731 /nfs/dbraw/zinc/24/67/31/191246731.db2.gz LYDJOEDCYNHWDG-UHFFFAOYSA-N 0 1 207.321 2.420 20 0 BEADMN CCN1C[C@@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000334220038 352821780 /nfs/dbraw/zinc/82/17/80/352821780.db2.gz UZDPZKIJZVBQJM-WDEREUQCSA-N 0 1 239.388 2.058 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@H](C)C(C)(C)C1 ZINC000334221482 352824511 /nfs/dbraw/zinc/82/45/11/352824511.db2.gz UBCZEUKXBYXUJD-QWRGUYRKSA-N 0 1 236.363 2.244 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC(C2CCC2)C1 ZINC000334200722 352794085 /nfs/dbraw/zinc/79/40/85/352794085.db2.gz QQYJBYTYFONKRT-UHFFFAOYSA-N 0 1 249.285 2.403 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334237347 352855446 /nfs/dbraw/zinc/85/54/46/352855446.db2.gz RWUCWHPYUDWSPH-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C2CCCC2)CC1 ZINC000334238124 352857287 /nfs/dbraw/zinc/85/72/87/352857287.db2.gz SJXNOMNFWWEVNC-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](O)[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000412091226 191257032 /nfs/dbraw/zinc/25/70/32/191257032.db2.gz PUOOZZWBRBFPQA-JSGCOSHPSA-N 0 1 241.375 2.038 20 0 BEADMN Cc1ccccc1NS(=O)(=O)c1ccoc1 ZINC000334230661 352848260 /nfs/dbraw/zinc/84/82/60/352848260.db2.gz KCQVVRAFWXFLTE-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN CCc1nocc1CN1CC=C(C)CC1 ZINC000334288767 352927390 /nfs/dbraw/zinc/92/73/90/352927390.db2.gz JKCSQXBMMSLZQM-UHFFFAOYSA-N 0 1 206.289 2.389 20 0 BEADMN CN(Cc1cncc(F)c1)[C@@H]1CC1(C)C ZINC000334296500 352931472 /nfs/dbraw/zinc/93/14/72/352931472.db2.gz YZKGLQLXEVLULJ-LLVKDONJSA-N 0 1 208.280 2.451 20 0 BEADMN Cn1nccc1[C@@H]1CCCCN1C[C@H]1CCCO1 ZINC000334251542 352887801 /nfs/dbraw/zinc/88/78/01/352887801.db2.gz VKCOFTKOHZQUEN-OCCSQVGLSA-N 0 1 249.358 2.126 20 0 BEADMN CC1=CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000334251915 352887909 /nfs/dbraw/zinc/88/79/09/352887909.db2.gz VRBAFYSVVVYOLB-LBPRGKRZSA-N 0 1 236.359 2.086 20 0 BEADMN CC1=CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000334251915 352887910 /nfs/dbraw/zinc/88/79/10/352887910.db2.gz VRBAFYSVVVYOLB-LBPRGKRZSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1ccsc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000334268961 352904488 /nfs/dbraw/zinc/90/44/88/352904488.db2.gz PCZVEZGZNNRCFS-PHIMTYICSA-N 0 1 223.341 2.420 20 0 BEADMN Cc1ccccc1[C@]1(F)CCN(C[C@H](C)O)C1 ZINC000334269052 352904895 /nfs/dbraw/zinc/90/48/95/352904895.db2.gz QEGSQWADKVOGBG-JSGCOSHPSA-N 0 1 237.318 2.246 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000334352577 352989298 /nfs/dbraw/zinc/98/92/98/352989298.db2.gz HRNKZVYDOGCADC-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ncc(C[N@H+]2C[C@H](C)C[C@H]2C)cn1 ZINC000334327009 352962855 /nfs/dbraw/zinc/96/28/55/352962855.db2.gz HDGDHMHACZWBNX-NXEZZACHSA-N 0 1 205.305 2.015 20 0 BEADMN c1nc2n(n1)CCC[C@H]2N[C@H]1CCC12CCC2 ZINC000334327657 352964294 /nfs/dbraw/zinc/96/42/94/352964294.db2.gz HMXJVMZPJFIYHI-MNOVXSKESA-N 0 1 232.331 2.035 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@H]1CCCC12CC2 ZINC000638834886 353021148 /nfs/dbraw/zinc/02/11/48/353021148.db2.gz SFQPQKGYFRKALI-NSHDSACASA-N 0 1 248.326 2.109 20 0 BEADMN CCOCCOC1CN(CC2(C(C)C)CC2)C1 ZINC000638908734 353070873 /nfs/dbraw/zinc/07/08/73/353070873.db2.gz KDEAUUIEZNZUFW-UHFFFAOYSA-N 0 1 241.375 2.160 20 0 BEADMN Cn1ccnc1[C@@H](C1CC1)N1CC=CCC1 ZINC000638913705 353072169 /nfs/dbraw/zinc/07/21/69/353072169.db2.gz CTHARQLEAOUYRR-GFCCVEGCSA-N 0 1 217.316 2.133 20 0 BEADMN CCC[C@H](C[N@H+]1CCO[C@@H](C(C)C)C1)OC ZINC000638910586 353074702 /nfs/dbraw/zinc/07/47/02/353074702.db2.gz ALDPSQADXYDBAS-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN CCn1ncnc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000638874534 353044569 /nfs/dbraw/zinc/04/45/69/353044569.db2.gz VAKPRFDQDUODLF-QWHCGFSZSA-N 0 1 248.374 2.356 20 0 BEADMN CC[C@@H](C)[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000037598648 358474409 /nfs/dbraw/zinc/47/44/09/358474409.db2.gz ULZPODDIGOQCLH-GFCCVEGCSA-N 0 1 235.327 2.414 20 0 BEADMN CCC[C@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000215297605 353117593 /nfs/dbraw/zinc/11/75/93/353117593.db2.gz SFDOXTAHKNUDAX-LBPRGKRZSA-N 0 1 221.348 2.432 20 0 BEADMN CC(C)=CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299500 188007823 /nfs/dbraw/zinc/00/78/23/188007823.db2.gz YWGGYGCKGRZGDL-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)COCCN1CC[C@@](C)(F)C1 ZINC000337323954 188014519 /nfs/dbraw/zinc/01/45/19/188014519.db2.gz SVJKXTUSYGIWBO-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000229883283 188015444 /nfs/dbraw/zinc/01/54/44/188015444.db2.gz OSYFRYKYXHCYFH-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN CC(C)[C@H](C)N(Cc1nccn1C)C1CC1 ZINC000338784702 188018034 /nfs/dbraw/zinc/01/80/34/188018034.db2.gz WTKNGGACPKMBBF-NSHDSACASA-N 0 1 221.348 2.429 20 0 BEADMN CC(C)N(C(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000268164441 188023834 /nfs/dbraw/zinc/02/38/34/188023834.db2.gz QQWZTEMMAXIHHL-NSHDSACASA-N 0 1 247.342 2.229 20 0 BEADMN CC(C)=CCCNC(=O)c1cnccc1N(C)C ZINC000276737262 188029750 /nfs/dbraw/zinc/02/97/50/188029750.db2.gz XAIFYYMWEXVFMM-UHFFFAOYSA-N 0 1 247.342 2.234 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cocn2)CC1 ZINC000279625166 188031443 /nfs/dbraw/zinc/03/14/43/188031443.db2.gz AATFRIPMDAZJLQ-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN CC(C)(O)CC(=O)Nc1cccc(Cl)c1O ZINC000281507290 188032460 /nfs/dbraw/zinc/03/24/60/188032460.db2.gz ILTBQFZGMPGOLK-UHFFFAOYSA-N 0 1 243.690 2.145 20 0 BEADMN COc1ccncc1CN1CCCC[C@H]1C ZINC000287345334 188035166 /nfs/dbraw/zinc/03/51/66/188035166.db2.gz OVZPVNQHFKPHOB-LLVKDONJSA-N 0 1 220.316 2.465 20 0 BEADMN COc1ccncc1CN(C(C)C)C1CC1 ZINC000287343195 188035293 /nfs/dbraw/zinc/03/52/93/188035293.db2.gz OSEMJKMRAWVYHA-UHFFFAOYSA-N 0 1 220.316 2.463 20 0 BEADMN C[C@H]1CSC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000295913154 188039722 /nfs/dbraw/zinc/03/97/22/188039722.db2.gz ZOXJRNASXJJGGD-CPCISQLKSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@H]1CSC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000295913154 188039724 /nfs/dbraw/zinc/03/97/24/188039724.db2.gz ZOXJRNASXJJGGD-CPCISQLKSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccncc2Cl)CO1 ZINC000402263765 353159445 /nfs/dbraw/zinc/15/94/45/353159445.db2.gz CEXQIAUGAJGGQO-WCBMZHEXSA-N 0 1 226.707 2.002 20 0 BEADMN CC(C)c1nsc(NC[C@H]2CC23CC3)n1 ZINC000642280015 363206677 /nfs/dbraw/zinc/20/66/77/363206677.db2.gz FAZFUBJQLURGQA-MRVPVSSYSA-N 0 1 223.345 2.295 20 0 BEADMN CCCC[C@H](CC)CC(=O)N1CCNC[C@H]1C ZINC000124472723 353166466 /nfs/dbraw/zinc/16/64/66/353166466.db2.gz IWPFYOQWNOXLHN-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CC1(CNC(=O)CCc2cnc[nH]2)CCCCC1 ZINC000279705028 538110191 /nfs/dbraw/zinc/11/01/91/538110191.db2.gz ADQSGHALQRRHPX-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CCc1noc(CN[C@@H]2CCC[C@@H]2CC)n1 ZINC000381606303 538111465 /nfs/dbraw/zinc/11/14/65/538111465.db2.gz QGOGTWVBAZVTON-VHSXEESVSA-N 0 1 223.320 2.300 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)[C@@H](N)c1ccccc1 ZINC000638998877 353245274 /nfs/dbraw/zinc/24/52/74/353245274.db2.gz WTJNOWMAHIXONP-RISCZKNCSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1cc(F)ccc1F ZINC000353611575 188234978 /nfs/dbraw/zinc/23/49/78/188234978.db2.gz ZCDZLVHLSYHWIG-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CC(C)N(Cc1nc2ccccc2[nH]1)C[C@H](C)O ZINC000120023053 188247417 /nfs/dbraw/zinc/24/74/17/188247417.db2.gz SUUKZRMIKIFDFP-NSHDSACASA-N 0 1 247.342 2.154 20 0 BEADMN CC(C)COCCN1CCOC2(CCCC2)C1 ZINC000372816072 188249174 /nfs/dbraw/zinc/24/91/74/188249174.db2.gz XELYWBHJGSTVRJ-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000228030704 188254509 /nfs/dbraw/zinc/25/45/09/188254509.db2.gz ZSBIDFPEJNPIOH-QWHCGFSZSA-N 0 1 246.354 2.472 20 0 BEADMN CCc1ncc(C[N@@H+](C[C@@H](C)O)C(C)C)s1 ZINC000093143332 324037338 /nfs/dbraw/zinc/03/73/38/324037338.db2.gz XRIUOGUYAKFDJH-SNVBAGLBSA-N 0 1 242.388 2.297 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCO[C@@H](C)C2)o1 ZINC000639038019 353310657 /nfs/dbraw/zinc/31/06/57/353310657.db2.gz JTZJCAIMLUFIKJ-CMPLNLGQSA-N 0 1 238.331 2.278 20 0 BEADMN Cn1cccc1C(=O)CN1CCCCCC1 ZINC000035018544 188273685 /nfs/dbraw/zinc/27/36/85/188273685.db2.gz MMQXMMKTMSMWGD-UHFFFAOYSA-N 0 1 220.316 2.084 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCCCS2)o1 ZINC000639034469 353307086 /nfs/dbraw/zinc/30/70/86/353307086.db2.gz GNCOVIMWOOONII-JTQLQIEISA-N 0 1 226.345 2.358 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000087778473 188317569 /nfs/dbraw/zinc/31/75/69/188317569.db2.gz ZSBIDFPEJNPIOH-STQMWFEESA-N 0 1 246.354 2.472 20 0 BEADMN CC(C)CO[C@@H]1CCN(Cc2cncs2)C1 ZINC000091964178 188318564 /nfs/dbraw/zinc/31/85/64/188318564.db2.gz NCMBQVKKWNYFNN-LLVKDONJSA-N 0 1 240.372 2.390 20 0 BEADMN CCCc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC000135241204 538115060 /nfs/dbraw/zinc/11/50/60/538115060.db2.gz HMDUKMLAWWJOEY-UWVGGRQHSA-N 0 1 235.331 2.375 20 0 BEADMN CCCc1cc(C(=O)N2[C@H](C)CC[C@H]2C)n[nH]1 ZINC000135241221 538115063 /nfs/dbraw/zinc/11/50/63/538115063.db2.gz HMDUKMLAWWJOEY-NXEZZACHSA-N 0 1 235.331 2.375 20 0 BEADMN Cc1nnc([C@@H](C)NCCC[C@@H]2CCO2)s1 ZINC000639058672 353364544 /nfs/dbraw/zinc/36/45/44/353364544.db2.gz DJZUNGCACOGWMJ-PSASIEDQSA-N 0 1 241.360 2.066 20 0 BEADMN CC(=O)N1CCC(CNc2cc(C)ccn2)CC1 ZINC000161605167 188335195 /nfs/dbraw/zinc/33/51/95/188335195.db2.gz DNUZRXFHIAFXJF-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN CCC[C@H](CN[C@@H](CCO)c1ccco1)OC ZINC000639052540 353353086 /nfs/dbraw/zinc/35/30/86/353353086.db2.gz JEIUZZLYAIGPFW-NEPJUHHUSA-N 0 1 241.331 2.108 20 0 BEADMN COc1cccc(CN(C)CC[C@H](C)O)c1F ZINC000135644290 538116252 /nfs/dbraw/zinc/11/62/52/538116252.db2.gz XSWJBIPLXGIUAY-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN Cc1cc(CC(=O)NC[C@H]2CCCC[C@@H]2C)[nH]n1 ZINC000176060617 188341935 /nfs/dbraw/zinc/34/19/35/188341935.db2.gz HVBQPMUTFCKPSQ-CMPLNLGQSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1ccnc(CN2C[C@@H](C)C[C@@H]2C)n1 ZINC000334508555 353384694 /nfs/dbraw/zinc/38/46/94/353384694.db2.gz QDQZETAYSDZPDN-ONGXEEELSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)C[C@@H]2C)nc1 ZINC000334508615 353385417 /nfs/dbraw/zinc/38/54/17/353385417.db2.gz URUFFBHVKFMKOR-ONGXEEELSA-N 0 1 205.305 2.015 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421202 538116040 /nfs/dbraw/zinc/11/60/40/538116040.db2.gz NDQRDKDUUVTXHI-NEPJUHHUSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ccnc(C[N@H+](C)[C@@H](C)C2(C)CC2)n1 ZINC000336666402 188357993 /nfs/dbraw/zinc/35/79/93/188357993.db2.gz GEKVNBMAGCXBPH-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000336666402 188357995 /nfs/dbraw/zinc/35/79/95/188357995.db2.gz GEKVNBMAGCXBPH-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC000336684375 188358197 /nfs/dbraw/zinc/35/81/97/188358197.db2.gz FBZGNHBZBJFJMR-QWHCGFSZSA-N 0 1 238.331 2.108 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(C)on1 ZINC000336684375 188358198 /nfs/dbraw/zinc/35/81/98/188358198.db2.gz FBZGNHBZBJFJMR-QWHCGFSZSA-N 0 1 238.331 2.108 20 0 BEADMN CCOC(C)(C)CNCc1cc(C2CC2)no1 ZINC000639083909 353423455 /nfs/dbraw/zinc/42/34/55/353423455.db2.gz MAEPTBLBVUEAQH-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN C1=C[C@@H](N2CCc3n[nH]nc3C2)CCCCC1 ZINC000339118941 188367211 /nfs/dbraw/zinc/36/72/11/188367211.db2.gz NZKZPKINRMXRIO-LLVKDONJSA-N 0 1 232.331 2.052 20 0 BEADMN C=Cn1cc(CNCc2cnc(C)s2)cn1 ZINC000235956936 188367851 /nfs/dbraw/zinc/36/78/51/188367851.db2.gz HXWWOGQNGPWTMZ-UHFFFAOYSA-N 0 1 234.328 2.038 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCCO)s1 ZINC000263990274 188370892 /nfs/dbraw/zinc/37/08/92/188370892.db2.gz JVEJKDNVFIVNTQ-UHFFFAOYSA-N 0 1 213.346 2.261 20 0 BEADMN CC1(C)C[C@H]1NCc1nccn1CC(F)(F)F ZINC000264232518 188371127 /nfs/dbraw/zinc/37/11/27/188371127.db2.gz CCIDHMMGKXEEEX-MRVPVSSYSA-N 0 1 247.264 2.334 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc2ccccc2o1 ZINC000639091321 353452247 /nfs/dbraw/zinc/45/22/47/353452247.db2.gz OGUYORINYVEGBT-VHSXEESVSA-N 0 1 234.299 2.341 20 0 BEADMN c1nc2c(s1)CN(CCC[C@@H]1CCO1)CC2 ZINC000639086673 353428692 /nfs/dbraw/zinc/42/86/92/353428692.db2.gz YKMAJHFYOPWPKP-SNVBAGLBSA-N 0 1 238.356 2.070 20 0 BEADMN COc1ccc(C[N@H+]2CCC=C(C)C2)cn1 ZINC000280875692 188383358 /nfs/dbraw/zinc/38/33/58/188383358.db2.gz ORGZLKNSFIGVEI-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1ccc(CN2CCC=C(C)C2)cn1 ZINC000280875692 188383359 /nfs/dbraw/zinc/38/33/59/188383359.db2.gz ORGZLKNSFIGVEI-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN CSc1ccc(CC[NH2+]Cc2ccn[nH]2)cc1 ZINC000280689076 188383861 /nfs/dbraw/zinc/38/38/61/188383861.db2.gz RHYWXGUAZTWVEB-UHFFFAOYSA-N 0 1 247.367 2.464 20 0 BEADMN CC(C)C[C@H](CO)[N@@H+](C)Cc1ccco1 ZINC000290373636 188388907 /nfs/dbraw/zinc/38/89/07/188388907.db2.gz HOYKCPDITCQNRE-LLVKDONJSA-N 0 1 211.305 2.118 20 0 BEADMN CC(C)(CNCc1cocn1)c1ccccn1 ZINC000294851731 188393245 /nfs/dbraw/zinc/39/32/45/188393245.db2.gz SDTVKAUIWXVWNR-UHFFFAOYSA-N 0 1 231.299 2.137 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000577862737 366089457 /nfs/dbraw/zinc/08/94/57/366089457.db2.gz HKLVEXZLXWLDAX-WDEREUQCSA-N 0 1 237.347 2.283 20 0 BEADMN CCC1CCC(N[C@@H](C)c2ncn(C)n2)CC1 ZINC000391915491 259445900 /nfs/dbraw/zinc/44/59/00/259445900.db2.gz CMLSPCOHSQLFAQ-UNXYVOJBSA-N 0 1 236.363 2.435 20 0 BEADMN CC[C@@](C)(O)CN[C@H]1CCCc2scnc21 ZINC000623889720 353518167 /nfs/dbraw/zinc/51/81/67/353518167.db2.gz UQIPNDUDLORBOQ-JOYOIKCWSA-N 0 1 240.372 2.271 20 0 BEADMN CCC[C@@H]([NH2+]Cc1cnn[n-]1)C1CCCC1 ZINC000398404683 363232442 /nfs/dbraw/zinc/23/24/42/363232442.db2.gz OKNOCTRJCOUBFN-GFCCVEGCSA-N 0 1 222.336 2.253 20 0 BEADMN C[C@@H]1CCSCCN1Cc1ccns1 ZINC000639101509 353545700 /nfs/dbraw/zinc/54/57/00/353545700.db2.gz APWRTKAREXHBPC-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC(C)CC1 ZINC000083825872 353578414 /nfs/dbraw/zinc/57/84/14/353578414.db2.gz SCJOPRHTCQJZJP-HSOILSAZSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccns2)C1 ZINC000639102077 353557087 /nfs/dbraw/zinc/55/70/87/353557087.db2.gz LRKGUBYECFBWTH-VIFPVBQESA-N 0 1 228.386 2.328 20 0 BEADMN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccoc1 ZINC000178183610 366103686 /nfs/dbraw/zinc/10/36/86/366103686.db2.gz XKOJOFTUTXKZSC-JTQLQIEISA-N 0 1 244.294 2.229 20 0 BEADMN Fc1cccc(F)c1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000153048828 181000414 /nfs/dbraw/zinc/00/04/14/181000414.db2.gz URMDGVBLIUASME-WQHBLYJGSA-N 0 1 239.265 2.374 20 0 BEADMN Fc1ccccc1Cc1nc([C@@H]2CCCN2)no1 ZINC000071396618 181014572 /nfs/dbraw/zinc/01/45/72/181014572.db2.gz KDWAFBBCZACUHV-NSHDSACASA-N 0 1 247.273 2.224 20 0 BEADMN COCCc1ncc(CN2[C@H](C)C[C@H]2C)s1 ZINC000639119834 353758096 /nfs/dbraw/zinc/75/80/96/353758096.db2.gz DGYFRPGYXVAXGC-NXEZZACHSA-N 0 1 240.372 2.315 20 0 BEADMN COCCO[C@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528420743 324218783 /nfs/dbraw/zinc/21/87/83/324218783.db2.gz BBWIHVMKCDRARY-QJGQKNTRSA-N 0 1 247.766 2.256 20 0 BEADMN COc1cccc(OC)c1CN1CC(C)C1 ZINC000639123036 353781924 /nfs/dbraw/zinc/78/19/24/353781924.db2.gz HJINJPKWKPQDEG-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN Fc1ccccc1CN1CCN(C2CC2)CC1 ZINC000299304653 181011657 /nfs/dbraw/zinc/01/16/57/181011657.db2.gz CGECFHVFCYYLPQ-UHFFFAOYSA-N 0 1 234.318 2.106 20 0 BEADMN CC1(C)CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854822 353799437 /nfs/dbraw/zinc/79/94/37/353799437.db2.gz YZXOTYWZSLWPOM-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN COCCC1(NCc2ncc(C)o2)CCC1 ZINC000639125613 353821701 /nfs/dbraw/zinc/82/17/01/353821701.db2.gz XUZNASGHXBBNHR-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN CCC(CC)CC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000343377186 353874404 /nfs/dbraw/zinc/87/44/04/353874404.db2.gz SUDMDYHPLYSQAE-QMMMGPOBSA-N 0 1 238.335 2.117 20 0 BEADMN CCCN(Cc1cc(C)n(C)n1)C1CC1 ZINC000343380325 353875050 /nfs/dbraw/zinc/87/50/50/353875050.db2.gz KSZRKKNRPCTHPK-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN CCC1CN(Cc2cnc3cccc(C)n23)C1 ZINC000334522985 353890986 /nfs/dbraw/zinc/89/09/86/353890986.db2.gz VATUDPFCQOGCQQ-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN Cc1scc(CN2CC[C@](F)(CO)C2)c1C ZINC000639145810 353851725 /nfs/dbraw/zinc/85/17/25/353851725.db2.gz YCZBDLBJPZKSFU-GFCCVEGCSA-N 0 1 243.347 2.271 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343594194 353942452 /nfs/dbraw/zinc/94/24/52/353942452.db2.gz HYWNQOINSSMCRY-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343594241 353942710 /nfs/dbraw/zinc/94/27/10/353942710.db2.gz IIPLJPXGKADRDQ-MRVPVSSYSA-N 0 1 221.304 2.158 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@@H](C)C[C@@H]1C ZINC000343695572 353965888 /nfs/dbraw/zinc/96/58/88/353965888.db2.gz XSEMFADDKALZEK-QWRGUYRKSA-N 0 1 236.363 2.227 20 0 BEADMN Cc1nc([C@H](C)N2CCSC(C)(C)C2)n[nH]1 ZINC000334547125 353984893 /nfs/dbraw/zinc/98/48/93/353984893.db2.gz DTZLENMOTYDQGC-QMMMGPOBSA-N 0 1 240.376 2.002 20 0 BEADMN CCCN(CC)CC(=O)Nc1nc(C)cs1 ZINC000343654433 353955070 /nfs/dbraw/zinc/95/50/70/353955070.db2.gz VNTKWYNZEUJWLS-UHFFFAOYSA-N 0 1 241.360 2.122 20 0 BEADMN CCCN(CC)[C@@H](C)c1nnc(CC)o1 ZINC000343654551 353955090 /nfs/dbraw/zinc/95/50/90/353955090.db2.gz WCEJQOAXGXDKSX-VIFPVBQESA-N 0 1 211.309 2.425 20 0 BEADMN OC[C@@H]1CSCC[N@H+]1C/C=C/c1ccccc1 ZINC000343727190 353960302 /nfs/dbraw/zinc/96/03/02/353960302.db2.gz HZACQPZDAPPTME-BTKRWWFXSA-N 0 1 249.379 2.110 20 0 BEADMN OC[C@@H]1CSCCN1C/C=C/c1ccccc1 ZINC000343727190 353960303 /nfs/dbraw/zinc/96/03/03/353960303.db2.gz HZACQPZDAPPTME-BTKRWWFXSA-N 0 1 249.379 2.110 20 0 BEADMN CCN1C[C@@H](C)[N@@H+](CC=C(C)C)[C@@H](C)C1 ZINC000334557611 354004788 /nfs/dbraw/zinc/00/47/88/354004788.db2.gz NEEHSDPPYMHTJB-BETUJISGSA-N 0 1 210.365 2.367 20 0 BEADMN CN(C(=O)C1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153469064 363285783 /nfs/dbraw/zinc/28/57/83/363285783.db2.gz SPWAWSXHJOTCPQ-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2csnn2)C1 ZINC000230406861 363307156 /nfs/dbraw/zinc/30/71/56/363307156.db2.gz PZTQPJDZTWVXCX-BDAKNGLRSA-N 0 1 211.334 2.064 20 0 BEADMN CNC(=O)[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230408323 363308268 /nfs/dbraw/zinc/30/82/68/363308268.db2.gz FLUTZWJBNOIZTI-BQBZGAKWSA-N 0 1 246.763 2.187 20 0 BEADMN Cc1ccc(-c2cc(C(=O)N(C)C)n[nH]2)cc1 ZINC000032345785 354043911 /nfs/dbraw/zinc/04/39/11/354043911.db2.gz LJYUYJJQEJSNFJ-UHFFFAOYSA-N 0 1 229.283 2.087 20 0 BEADMN C[C@]1(F)CCN(CCc2cncs2)C1 ZINC000334561709 354115493 /nfs/dbraw/zinc/11/54/93/354115493.db2.gz VGIQVCIAJXAEOP-JTQLQIEISA-N 0 1 214.309 2.120 20 0 BEADMN CCN(C)[C@@H](C(=O)N1CC(C)C1)c1ccccc1 ZINC000344213900 354165753 /nfs/dbraw/zinc/16/57/53/354165753.db2.gz FTSDFTOHVXSZRU-CQSZACIVSA-N 0 1 246.354 2.158 20 0 BEADMN CCOC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449702198 202003748 /nfs/dbraw/zinc/00/37/48/202003748.db2.gz CWVVDSWVNGRFTR-SECBINFHSA-N 0 1 224.304 2.067 20 0 BEADMN Cc1ccc(CN(C)C[C@H](O)C2CC2)c(F)c1 ZINC000639174996 354189864 /nfs/dbraw/zinc/18/98/64/354189864.db2.gz FXJRCCFOVXKKKH-AWEZNQCLSA-N 0 1 237.318 2.337 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334581002 354198844 /nfs/dbraw/zinc/19/88/44/354198844.db2.gz UMQMVVOCCVFDID-NXEZZACHSA-N 0 1 236.363 2.475 20 0 BEADMN FC(F)COCCNCc1ccc(Cl)o1 ZINC000231677749 363348083 /nfs/dbraw/zinc/34/80/83/363348083.db2.gz AYLWIYQDSVEYMF-UHFFFAOYSA-N 0 1 239.649 2.304 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000334585592 354209090 /nfs/dbraw/zinc/20/90/90/354209090.db2.gz SMILDAVDDHGABC-CMPLNLGQSA-N 0 1 237.299 2.273 20 0 BEADMN CSCCCCNCc1cc(C)on1 ZINC000231727524 363351499 /nfs/dbraw/zinc/35/14/99/363351499.db2.gz XTGGDZNNZHOIRF-UHFFFAOYSA-N 0 1 214.334 2.216 20 0 BEADMN CCc1ccc(CN2CCOC[C@H](C)C2)cn1 ZINC000334586239 354210484 /nfs/dbraw/zinc/21/04/84/354210484.db2.gz YCNNLAINXBKXDN-GFCCVEGCSA-N 0 1 234.343 2.112 20 0 BEADMN CCC(C)(C)OC1CN(C[C@H]2CCCOC2)C1 ZINC000529640958 324369619 /nfs/dbraw/zinc/36/96/19/324369619.db2.gz MRTLZHGIFMAKFV-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN CCC[C@@H](C)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344409570 354251232 /nfs/dbraw/zinc/25/12/32/354251232.db2.gz BHUQRFCIMOHPEC-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344409572 354251320 /nfs/dbraw/zinc/25/13/20/354251320.db2.gz BHUQRFCIMOHPEC-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC(C)C)[C@@H](C)C1 ZINC000344414137 354251932 /nfs/dbraw/zinc/25/19/32/354251932.db2.gz DAMVGLKBPVCCOJ-BETUJISGSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@H](C)C(C)C)[C@@H](C)C1 ZINC000344421593 354252960 /nfs/dbraw/zinc/25/29/60/354252960.db2.gz KYFPCXFMNNRAJS-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@@H](C)CC(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344417568 354253137 /nfs/dbraw/zinc/25/31/37/354253137.db2.gz FJLWBDSNXNLZGU-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCO[C@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344457929 354263887 /nfs/dbraw/zinc/26/38/87/354263887.db2.gz JNENRWGSLPCITQ-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344457930 354263963 /nfs/dbraw/zinc/26/39/63/354263963.db2.gz JNENRWGSLPCITQ-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN CC1(C2CC2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000334594147 354225740 /nfs/dbraw/zinc/22/57/40/354225740.db2.gz ZLLDDHRFDQWRFE-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)C2=CCCCC2)CCN1C ZINC000334594965 354227322 /nfs/dbraw/zinc/22/73/22/354227322.db2.gz VBUISBBHPMITNP-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC1=CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000334598952 354234600 /nfs/dbraw/zinc/23/46/00/354234600.db2.gz CTPHJXRBLHDBDY-UHFFFAOYSA-N 0 1 234.347 2.254 20 0 BEADMN C[C@H](NCc1ncccn1)C1CC(F)(F)C1 ZINC000529619078 324366268 /nfs/dbraw/zinc/36/62/68/324366268.db2.gz CFWCRFOVLXVDBA-QMMMGPOBSA-N 0 1 227.258 2.000 20 0 BEADMN Cc1ccc2nc(NC(=O)c3cc[nH]c3)[nH]c2c1 ZINC000344477711 354269043 /nfs/dbraw/zinc/26/90/43/354269043.db2.gz ZWGDKHTWHCKADV-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Fc1cccc(CN2CC3(C2)CCCOC3)c1 ZINC000334600838 354279447 /nfs/dbraw/zinc/27/94/47/354279447.db2.gz YNZKWVUDAIUQKX-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334620389 354357425 /nfs/dbraw/zinc/35/74/25/354357425.db2.gz RHJGQCYVHGUAPO-JTQLQIEISA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344591740 354321684 /nfs/dbraw/zinc/32/16/84/354321684.db2.gz YILWWAAIYNLYLV-FRRDWIJNSA-N 0 1 240.391 2.362 20 0 BEADMN Cc1ncc([C@H](C)N[C@H](C)CF)c(C)n1 ZINC000639182778 354338573 /nfs/dbraw/zinc/33/85/73/354338573.db2.gz LLSNHNJZDUHVPC-SFYZADRCSA-N 0 1 211.284 2.102 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334632772 354376164 /nfs/dbraw/zinc/37/61/64/354376164.db2.gz SNKZSPDCHCDUSB-RKDXNWHRSA-N 0 1 233.315 2.158 20 0 BEADMN CC1(CN2CC[S@](=O)C(C)(C)CC2)CCC1 ZINC000334622059 354359631 /nfs/dbraw/zinc/35/96/31/354359631.db2.gz WEWCJXWDFZHICP-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1nc2ccc(NC(=O)c3cc[nH]c3)cc2[nH]1 ZINC000344784182 354367950 /nfs/dbraw/zinc/36/79/50/354367950.db2.gz AZVQIMAEIGVFRM-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cn1c2ccccc2nc1CCN1CC[C@H](F)C1 ZINC000334628414 354370514 /nfs/dbraw/zinc/37/05/14/354370514.db2.gz PXBYDWZCGGGOMD-NSHDSACASA-N 0 1 247.317 2.160 20 0 BEADMN FC[C@H]1CN(Cc2ccccc2F)CCCO1 ZINC000334646672 354437082 /nfs/dbraw/zinc/43/70/82/354437082.db2.gz MDUAODDISPYMHH-LBPRGKRZSA-N 0 1 241.281 2.386 20 0 BEADMN CCn1ncnc1C[N@H+]1CCCCC[C@@H]1C ZINC000334641799 354398032 /nfs/dbraw/zinc/39/80/32/354398032.db2.gz YBRZSGVAMZTBFU-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN CCn1ncnc1CN1CCCCC[C@@H]1C ZINC000334641799 354398034 /nfs/dbraw/zinc/39/80/34/354398034.db2.gz YBRZSGVAMZTBFU-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN CC[C@H]1CCCN1Cc1ncc(C)cn1 ZINC000334642042 354398713 /nfs/dbraw/zinc/39/87/13/354398713.db2.gz BETGYKASTOIXJX-NSHDSACASA-N 0 1 205.305 2.159 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@H](C3CC3)C2)[nH]1 ZINC000334643734 354400841 /nfs/dbraw/zinc/40/08/41/354400841.db2.gz KLYGQEIHZKYMTK-CABZTGNLSA-N 0 1 234.347 2.296 20 0 BEADMN CC(C)[C@@H]1N(Cc2cnccn2)CC12CCC2 ZINC000334644137 354401536 /nfs/dbraw/zinc/40/15/36/354401536.db2.gz BNGOIROWPGNXLN-ZDUSSCGKSA-N 0 1 231.343 2.487 20 0 BEADMN OCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000334668271 354407992 /nfs/dbraw/zinc/40/79/92/354407992.db2.gz PZIGBZGGEJZJEF-LBPRGKRZSA-N 0 1 227.254 2.094 20 0 BEADMN OCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000334668269 354408095 /nfs/dbraw/zinc/40/80/95/354408095.db2.gz PZIGBZGGEJZJEF-GFCCVEGCSA-N 0 1 227.254 2.094 20 0 BEADMN CC1CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000334673375 354416223 /nfs/dbraw/zinc/41/62/23/354416223.db2.gz HZEZIESDAXSKJZ-UHFFFAOYSA-N 0 1 207.321 2.159 20 0 BEADMN C[C@@H]1CN(CC2=CCCCC2)C[C@H](C(N)=O)O1 ZINC000334674922 354417801 /nfs/dbraw/zinc/41/78/01/354417801.db2.gz CDZMVMDRTFPGBC-ZYHUDNBSSA-N 0 1 238.331 2.111 20 0 BEADMN NC(=O)[C@H]1CCCN1Cc1cccc2c[nH]nc21 ZINC000334678515 354423443 /nfs/dbraw/zinc/42/34/43/354423443.db2.gz DVFRQZQFEVKXOV-LLVKDONJSA-N 0 1 244.298 2.063 20 0 BEADMN Cc1ncc(CN2CCSC[C@@H]2C2CC2)cn1 ZINC000334679814 354425316 /nfs/dbraw/zinc/42/53/16/354425316.db2.gz UJSHDWBPENGIMT-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN CC[C@]1(C)COCCN1Cc1ccncc1C ZINC000334654882 354448773 /nfs/dbraw/zinc/44/87/73/354448773.db2.gz HMAMOLHRRSYIIH-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cn1cncc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000334664943 354465989 /nfs/dbraw/zinc/46/59/89/354465989.db2.gz OKZFKQBGSQCJEU-LBPRGKRZSA-N 0 1 219.332 2.041 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C3(C)CC3)CC2)c1C ZINC000334735943 354536758 /nfs/dbraw/zinc/53/67/58/354536758.db2.gz XVILGAIEITXBOC-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000334738367 354541465 /nfs/dbraw/zinc/54/14/65/354541465.db2.gz JWQPVGHKFKWOEK-ZWNOBZJWSA-N 0 1 223.316 2.445 20 0 BEADMN c1coc([C@@H]2N(Cc3c[nH]nn3)CC23CCC3)c1 ZINC000334695519 354486918 /nfs/dbraw/zinc/48/69/18/354486918.db2.gz BCZKCGHXBWUUOV-LBPRGKRZSA-N 0 1 244.298 2.125 20 0 BEADMN C[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334707114 354500609 /nfs/dbraw/zinc/50/06/09/354500609.db2.gz YJEKFPPIFWIMKS-UWVGGRQHSA-N 0 1 227.739 2.267 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCC2)[C@H](C(N)=O)C1 ZINC000334707211 354500955 /nfs/dbraw/zinc/50/09/55/354500955.db2.gz CCGVORURDGBETK-ONGXEEELSA-N 0 1 210.321 2.422 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C(N)=O)C1 ZINC000334707198 354501062 /nfs/dbraw/zinc/50/10/62/354501062.db2.gz CCGVORURDGBETK-GXSJLCMTSA-N 0 1 210.321 2.422 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)cs2)C[C@H]1C ZINC000334741013 354544452 /nfs/dbraw/zinc/54/44/52/354544452.db2.gz XYYNHLGVDIRIMP-KOLCDFICSA-N 0 1 240.372 2.308 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000334713382 354511087 /nfs/dbraw/zinc/51/10/87/354511087.db2.gz MDWUMULFNULOIG-FZMZJTMJSA-N 0 1 247.342 2.063 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000334713385 354511167 /nfs/dbraw/zinc/51/11/67/354511167.db2.gz MDWUMULFNULOIG-SMDDNHRTSA-N 0 1 247.342 2.063 20 0 BEADMN COC(=O)c1ccc(CNC(C)(C)CF)cc1 ZINC000351930688 134010926 /nfs/dbraw/zinc/01/09/26/134010926.db2.gz KMBOYZXXVNDZEW-UHFFFAOYSA-N 0 1 239.290 2.311 20 0 BEADMN Fc1cccc2c1CN(C[C@@H]1CCOC1)C2 ZINC000334798103 354553440 /nfs/dbraw/zinc/55/34/40/354553440.db2.gz VAIHIRMPROLUJX-JTQLQIEISA-N 0 1 221.275 2.178 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)[nH]n2)C1 ZINC000334762518 354583031 /nfs/dbraw/zinc/58/30/31/354583031.db2.gz WKOUBKCOIIAHTK-WDEREUQCSA-N 0 1 235.331 2.369 20 0 BEADMN CC[C@H](CNCc1nc2ccccc2o1)OC ZINC000639195175 354595011 /nfs/dbraw/zinc/59/50/11/354595011.db2.gz REWYSHCVURJGIE-SNVBAGLBSA-N 0 1 234.299 2.342 20 0 BEADMN CC[C@@H](CNCc1cc(C2CC2)no1)OC ZINC000639196110 354597175 /nfs/dbraw/zinc/59/71/75/354597175.db2.gz XONPSIRSSPMMDN-JTQLQIEISA-N 0 1 224.304 2.067 20 0 BEADMN CCN([C@H](C)c1cnc(C)nc1C)[C@H]1CCOC1 ZINC000639198113 354599348 /nfs/dbraw/zinc/59/93/48/354599348.db2.gz ODBKGMATSLWZPE-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOCC3)o1 ZINC000334795834 354548970 /nfs/dbraw/zinc/54/89/70/354548970.db2.gz JAXKXIIOKPSUJK-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2CCCNC2=O)c1C ZINC000334796623 354551336 /nfs/dbraw/zinc/55/13/36/354551336.db2.gz VXIPWSDRLLTYIE-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN2C)c1 ZINC000335106764 354691317 /nfs/dbraw/zinc/69/13/17/354691317.db2.gz DJBMFXKUFKJQFS-JSGCOSHPSA-N 0 1 246.354 2.266 20 0 BEADMN CC(F)(F)CNCC1CCSCC1 ZINC000639208449 354696942 /nfs/dbraw/zinc/69/69/42/354696942.db2.gz UUESWXJUVLZDAD-UHFFFAOYSA-N 0 1 209.305 2.374 20 0 BEADMN CCC1CN(C(=O)c2c(O)cccc2F)C1 ZINC000335110677 354697595 /nfs/dbraw/zinc/69/75/95/354697595.db2.gz QQZPEYONXDOHGW-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN COC[C@@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166010730 354732895 /nfs/dbraw/zinc/73/28/95/354732895.db2.gz GKANQWLRHUOLGH-LDYMZIIASA-N 0 1 241.718 2.398 20 0 BEADMN CCc1nocc1C[N@@H+](C)CCC[C@@H]1CCO1 ZINC000639208993 354714076 /nfs/dbraw/zinc/71/40/76/354714076.db2.gz JPAOCVQCDYOIBC-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCCC[C@H]1C ZINC000335118999 354723881 /nfs/dbraw/zinc/72/38/81/354723881.db2.gz WXUXWEDFFCJLKZ-SKDRFNHKSA-N 0 1 235.331 2.161 20 0 BEADMN CCN(CC)C(=O)C1(NCCF)CCCCC1 ZINC000345749218 354751169 /nfs/dbraw/zinc/75/11/69/354751169.db2.gz ANSBFQPKHRAERS-UHFFFAOYSA-N 0 1 244.354 2.117 20 0 BEADMN CO[C@H](C)[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000639211917 354765370 /nfs/dbraw/zinc/76/53/70/354765370.db2.gz YRMTXGHUYPKXJL-NXEZZACHSA-N 0 1 220.316 2.406 20 0 BEADMN Cc1nnsc1CNc1cc2c(cn1)CCC2 ZINC000639212170 354770244 /nfs/dbraw/zinc/77/02/44/354770244.db2.gz VBRISLUJZAQITR-UHFFFAOYSA-N 0 1 246.339 2.342 20 0 BEADMN CCOC1CC(CNc2cc3c(cn2)CCC3)C1 ZINC000639212173 354770489 /nfs/dbraw/zinc/77/04/89/354770489.db2.gz VLVYJVBUDNSYPT-UHFFFAOYSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1ccc(C)c(NC(=O)N2CCN[C@H](C)C2)c1 ZINC000335127935 354773966 /nfs/dbraw/zinc/77/39/66/354773966.db2.gz PJDGCFQWWQOLGY-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1c([C@H](C)NCc2ccc(C)nc2)cnn1C ZINC000166023593 354780101 /nfs/dbraw/zinc/78/01/01/354780101.db2.gz GGICBEACBAXWEG-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@H](NCCC1CCOCC1)C(F)F ZINC000639215159 354814425 /nfs/dbraw/zinc/81/44/25/354814425.db2.gz VUSRXKSSZYHTCY-JTQLQIEISA-N 0 1 221.291 2.436 20 0 BEADMN CCCCC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000345971603 354824029 /nfs/dbraw/zinc/82/40/29/354824029.db2.gz WCBCEBKUSJANDC-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCc1cnc(CNc2nccn2C)s1 ZINC000234273411 363418655 /nfs/dbraw/zinc/41/86/55/363418655.db2.gz JZSNOAAUTWDCDN-UHFFFAOYSA-N 0 1 222.317 2.051 20 0 BEADMN CCCc1ccc(CNCC(=O)NC2CC2)cc1 ZINC000642339367 363413527 /nfs/dbraw/zinc/41/35/27/363413527.db2.gz KLOGYUJLDKDXEW-UHFFFAOYSA-N 0 1 246.354 2.007 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)C2CCC2)C1 ZINC000623197608 354890418 /nfs/dbraw/zinc/89/04/18/354890418.db2.gz WJPKCFGPDPJKAS-SKDRFNHKSA-N 0 1 247.342 2.087 20 0 BEADMN CC(C)(CO)CCNCc1nc2ccccc2o1 ZINC000639221717 354910529 /nfs/dbraw/zinc/91/05/29/354910529.db2.gz QQHOFUXRJXWJCH-UHFFFAOYSA-N 0 1 248.326 2.326 20 0 BEADMN Cn1cnnc1CNC1CC2(C1)CCCCC2 ZINC000335161142 354913049 /nfs/dbraw/zinc/91/30/49/354913049.db2.gz ADRMENFRSUGUMV-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN Cc1nc(CN2Cc3ccc(Cl)cc3C2)n[nH]1 ZINC000335168069 354928630 /nfs/dbraw/zinc/92/86/30/354928630.db2.gz PBCLDMPLJJIXLP-UHFFFAOYSA-N 0 1 248.717 2.282 20 0 BEADMN Cc1nocc1CN1CC2(C1)CCCC2 ZINC000335170806 354934673 /nfs/dbraw/zinc/93/46/73/354934673.db2.gz OOMHWVCJYWJJTM-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN Cc1c(Cl)c(CN[C@@H]2CC[C@@H]2C)nn1C ZINC000335172784 354938029 /nfs/dbraw/zinc/93/80/29/354938029.db2.gz BFESEKPRQIAPSB-IONNQARKSA-N 0 1 227.739 2.270 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCN1C ZINC000346472814 354955538 /nfs/dbraw/zinc/95/55/38/354955538.db2.gz LADCYSUIUIHQPO-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CC[C@@H]2CCCO2)n1 ZINC000346532066 354978685 /nfs/dbraw/zinc/97/86/85/354978685.db2.gz SHHLTGFWFVYSSC-NWDGAFQWSA-N 0 1 235.331 2.116 20 0 BEADMN c1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)on1 ZINC000335197141 355030625 /nfs/dbraw/zinc/03/06/25/355030625.db2.gz STKRNXDUVRKYOC-GFCCVEGCSA-N 0 1 238.356 2.392 20 0 BEADMN c1cc(CN2CCSC[C@@H]2C2CCC2)on1 ZINC000335197141 355030627 /nfs/dbraw/zinc/03/06/27/355030627.db2.gz STKRNXDUVRKYOC-GFCCVEGCSA-N 0 1 238.356 2.392 20 0 BEADMN CCc1nc(C)c(CN2CCOC[C@@H](C)C2)o1 ZINC000335200461 355034098 /nfs/dbraw/zinc/03/40/98/355034098.db2.gz ULCNLAGSWXBQMV-JTQLQIEISA-N 0 1 238.331 2.014 20 0 BEADMN Cc1nccc(CN2CCSC(C)(C)C2)n1 ZINC000335202709 355037031 /nfs/dbraw/zinc/03/70/31/355037031.db2.gz KONITQFQTHLXHO-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN C[C@H](CC(C)(C)O)NCc1nc2ccccc2o1 ZINC000639226359 355083008 /nfs/dbraw/zinc/08/30/08/355083008.db2.gz WINKTAOUTDGBOH-SNVBAGLBSA-N 0 1 248.326 2.467 20 0 BEADMN Cc1cnc(C[N@H+]2CCS[C@H](C)CC2)cn1 ZINC000335218394 355057023 /nfs/dbraw/zinc/05/70/23/355057023.db2.gz MHOISGNTUWREDI-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1cnc(CN2CCS[C@H](C)CC2)cn1 ZINC000335218394 355057027 /nfs/dbraw/zinc/05/70/27/355057027.db2.gz MHOISGNTUWREDI-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN CCN(CC(=O)N1CC(C)(C)C[C@@H]1C)C1CC1 ZINC000412784809 191316243 /nfs/dbraw/zinc/31/62/43/191316243.db2.gz QRULYHSCRNNRQR-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C(C)(C)CC)C[C@H]1C ZINC000346780817 355115042 /nfs/dbraw/zinc/11/50/42/355115042.db2.gz WJJPYLOAJHCQDV-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346880291 355143274 /nfs/dbraw/zinc/14/32/74/355143274.db2.gz SBBUTJISXVYNFV-VIFPVBQESA-N 0 1 244.298 2.456 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC000346888470 355145690 /nfs/dbraw/zinc/14/56/90/355145690.db2.gz AWGWDZOVAKEIHV-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCCC(=O)N1CCN(C)CC1(C)C ZINC000346909988 355150959 /nfs/dbraw/zinc/15/09/59/355150959.db2.gz VGPRBJFNRWPPFC-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CCC[C@H](NC[C@H](O)C(F)F)c1ccccn1 ZINC000346986988 355186309 /nfs/dbraw/zinc/18/63/09/355186309.db2.gz QMYFFXODSNOYBE-ONGXEEELSA-N 0 1 244.285 2.138 20 0 BEADMN COc1cccnc1CN[C@@H](C)[C@@H]1CC1(F)F ZINC000639240734 355225212 /nfs/dbraw/zinc/22/52/12/355225212.db2.gz XRMRIZCDPMMLFN-IUCAKERBSA-N 0 1 242.269 2.224 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCOC(C)(C)C2)o1 ZINC000639244326 355231461 /nfs/dbraw/zinc/23/14/61/355231461.db2.gz KXPKMSCFVBYMCU-LLVKDONJSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1occc1SCCN1CCCOCC1 ZINC000413000668 191336214 /nfs/dbraw/zinc/33/62/14/191336214.db2.gz OJPNGPSSLVVKGU-UHFFFAOYSA-N 0 1 241.356 2.402 20 0 BEADMN CCc1nc(CSCCCSC)n[nH]1 ZINC000413008727 191338565 /nfs/dbraw/zinc/33/85/65/191338565.db2.gz PHHFJWHLAKDZLE-UHFFFAOYSA-N 0 1 231.390 2.353 20 0 BEADMN CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623219289 355241567 /nfs/dbraw/zinc/24/15/67/355241567.db2.gz USJHPSYBOLOLMU-YUSALJHKSA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@H]1CCCN1Cc1cn(C(C)C)nn1 ZINC000347639950 355245125 /nfs/dbraw/zinc/24/51/25/355245125.db2.gz PWMLOIGCNJOFDC-LBPRGKRZSA-N 0 1 222.336 2.233 20 0 BEADMN C[C@H](N[C@H]1CCn2ccnc2C1)c1cscn1 ZINC000335281661 355272216 /nfs/dbraw/zinc/27/22/16/355272216.db2.gz JGQQGIZXNROIIP-UWVGGRQHSA-N 0 1 248.355 2.005 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000084128079 355299532 /nfs/dbraw/zinc/29/95/32/355299532.db2.gz ICUCXLYJGRMFOM-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN COC1(CN[C@@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000414100537 191432635 /nfs/dbraw/zinc/43/26/35/191432635.db2.gz AYIHSNBYGKAELM-NSHDSACASA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1ccn(CC)n1)OC ZINC000639261872 355314651 /nfs/dbraw/zinc/31/46/51/355314651.db2.gz ODEBUTXSEZJGAP-WCQYABFASA-N 0 1 239.363 2.054 20 0 BEADMN C[C@H](NCC1CCSCC1)c1csnn1 ZINC000639267324 355327184 /nfs/dbraw/zinc/32/71/84/355327184.db2.gz XZFGTVQGVMXRFM-QMMMGPOBSA-N 0 1 243.401 2.332 20 0 BEADMN CCc1ncc(CN[C@@H](C)[C@@H]2CC2(F)F)o1 ZINC000639248646 355279177 /nfs/dbraw/zinc/27/91/77/355279177.db2.gz DKFGWPHPVHZQNS-CBAPKCEASA-N 0 1 230.258 2.370 20 0 BEADMN CCCc1ncc(CNC[C@H](OC)C2CC2)o1 ZINC000639252125 355286578 /nfs/dbraw/zinc/28/65/78/355286578.db2.gz NAOWBNVIUPRGIB-LBPRGKRZSA-N 0 1 238.331 2.142 20 0 BEADMN CCc1ncc(CNC[C@@H](OC)[C@H](C)CC)o1 ZINC000639251897 355287100 /nfs/dbraw/zinc/28/71/00/355287100.db2.gz LNOAEYYUSBRQIR-ZYHUDNBSSA-N 0 1 240.347 2.388 20 0 BEADMN CCc1ncc(CNCc2ccc(O)cc2)cn1 ZINC000414340771 191493950 /nfs/dbraw/zinc/49/39/50/191493950.db2.gz KTTOSQZKMAIBRH-UHFFFAOYSA-N 0 1 243.310 2.034 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2[C@H](C)C2(F)F)n1 ZINC000414614282 191538763 /nfs/dbraw/zinc/53/87/63/191538763.db2.gz GZYIEGZYJIRFQD-BIIVOSGPSA-N 0 1 245.273 2.484 20 0 BEADMN CC[C@H](C)OCc1nc([C@H](N)CC(C)C)no1 ZINC000414619729 191539220 /nfs/dbraw/zinc/53/92/20/191539220.db2.gz OMPYDGCSZHQGGA-VHSXEESVSA-N 0 1 241.335 2.431 20 0 BEADMN CN(C(=O)c1cccc2n[nH]cc21)[C@H]1CC1(C)C ZINC000335781154 355428388 /nfs/dbraw/zinc/42/83/88/355428388.db2.gz OITAHEKRMYDYPU-LBPRGKRZSA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nnc2n1CCCC2 ZINC000335783491 355431631 /nfs/dbraw/zinc/43/16/31/355431631.db2.gz BSJJABUKVDRLLE-RYUDHWBXSA-N 0 1 248.374 2.235 20 0 BEADMN CC[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccn(C)n1 ZINC000349771836 355453402 /nfs/dbraw/zinc/45/34/02/355453402.db2.gz AVJAQWDSCYYXBK-UBHSHLNASA-N 0 1 249.358 2.028 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2CN2CCOCC2)cc1 ZINC000335814863 355503659 /nfs/dbraw/zinc/50/36/59/355503659.db2.gz RTLUJBOZFHHLEW-KGLIPLIRSA-N 0 1 217.312 2.122 20 0 BEADMN Clc1ccc(SCc2c[nH]nn2)nc1 ZINC000335799271 355457872 /nfs/dbraw/zinc/45/78/72/355457872.db2.gz ZQOGPSJNJLFYHM-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN Oc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000335807527 355479997 /nfs/dbraw/zinc/47/99/97/355479997.db2.gz HACAPBAZKKAVSA-GFCCVEGCSA-N 0 1 245.322 2.028 20 0 BEADMN Oc1ccc2c(c1)C1(CC1)CN([C@@H]1CCOC1)C2 ZINC000335807527 355480001 /nfs/dbraw/zinc/48/00/01/355480001.db2.gz HACAPBAZKKAVSA-GFCCVEGCSA-N 0 1 245.322 2.028 20 0 BEADMN Oc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000335807528 355480330 /nfs/dbraw/zinc/48/03/30/355480330.db2.gz HACAPBAZKKAVSA-LBPRGKRZSA-N 0 1 245.322 2.028 20 0 BEADMN Oc1ccc2c(c1)C1(CC1)CN([C@H]1CCOC1)C2 ZINC000335807528 355480331 /nfs/dbraw/zinc/48/03/31/355480331.db2.gz HACAPBAZKKAVSA-LBPRGKRZSA-N 0 1 245.322 2.028 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2ccc3cncn3c2)C1 ZINC000335823965 355545373 /nfs/dbraw/zinc/54/53/73/355545373.db2.gz BHPITVZXFJZICI-CMPLNLGQSA-N 0 1 243.310 2.253 20 0 BEADMN C=C/C=C\CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001640789074 1172188549 /nfs/dbraw/zinc/18/85/49/1172188549.db2.gz HAMCEGDSXFDVIV-FWWRYZNZSA-N 0 1 236.359 2.061 20 0 BEADMN O=C(N[C@H]1CC12CCCC2)[C@H]1CCCN1C1CC1 ZINC000335845909 355589122 /nfs/dbraw/zinc/58/91/22/355589122.db2.gz IZYVADUTKUYQFC-OLZOCXBDSA-N 0 1 248.370 2.062 20 0 BEADMN CC1(CN2CCOC[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000335839101 355569138 /nfs/dbraw/zinc/56/91/38/355569138.db2.gz TUQZYVOPUZTIOK-OLZOCXBDSA-N 0 1 239.359 2.056 20 0 BEADMN CCc1nc(C)c(CN2CCCSCC2)o1 ZINC000335881413 355670238 /nfs/dbraw/zinc/67/02/38/355670238.db2.gz IJRQXXFGRPWLHY-UHFFFAOYSA-N 0 1 240.372 2.484 20 0 BEADMN Cc1cnc([C@H](C)N2CCCSCC2)cn1 ZINC000335881862 355670755 /nfs/dbraw/zinc/67/07/55/355670755.db2.gz WDYWZBRUGLVFCW-NSHDSACASA-N 0 1 237.372 2.285 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1CC(C)(C)C1 ZINC000583574054 355656734 /nfs/dbraw/zinc/65/67/34/355656734.db2.gz MVJSRPDEOOPGQK-JTQLQIEISA-N 0 1 249.358 2.141 20 0 BEADMN COCCC1CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639306777 355661462 /nfs/dbraw/zinc/66/14/62/355661462.db2.gz VBRHACMJDUUMHY-LLVKDONJSA-N 0 1 249.358 2.123 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ncccn1 ZINC000335862803 355626036 /nfs/dbraw/zinc/62/60/36/355626036.db2.gz IQVDYDGWBMZOPK-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN CCOC[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000582191746 355700749 /nfs/dbraw/zinc/70/07/49/355700749.db2.gz KDXYGCOWIBXDHA-RYUDHWBXSA-N 0 1 247.342 2.410 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC000335890130 355682703 /nfs/dbraw/zinc/68/27/03/355682703.db2.gz NXBRARDTTGAEDU-JQWIXIFHSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)c2)[C@H](C(N)=O)C1 ZINC000335893410 355687735 /nfs/dbraw/zinc/68/77/35/355687735.db2.gz NCPRMJZLLIVSOD-JQWIXIFHSA-N 0 1 235.331 2.161 20 0 BEADMN Fc1ccc2oc(CN3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC000639349117 355790379 /nfs/dbraw/zinc/79/03/79/355790379.db2.gz VFRVARYGGFPALZ-DTORHVGOSA-N 0 1 232.258 2.419 20 0 BEADMN CCC(F)(F)CN[C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639350760 355798642 /nfs/dbraw/zinc/79/86/42/355798642.db2.gz OTKRIHNLAIPXCS-ZJUUUORDSA-N 0 1 248.317 2.069 20 0 BEADMN CCOC1CC(CNCC(F)(F)CC)C1 ZINC000639350867 355798882 /nfs/dbraw/zinc/79/88/82/355798882.db2.gz SBVDBBQYKSNQBD-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN c1c(CN[C@H]2CO[C@H](C3CC3)C2)onc1C1CC1 ZINC000639355381 355809174 /nfs/dbraw/zinc/80/91/74/355809174.db2.gz SWWQLEHEXGQHMI-RISCZKNCSA-N 0 1 248.326 2.209 20 0 BEADMN CCc1cnc(CN(C)C[C@H]2CCCOC2)o1 ZINC000608497173 355823515 /nfs/dbraw/zinc/82/35/15/355823515.db2.gz PEERCLHWBXEPFS-LLVKDONJSA-N 0 1 238.331 2.095 20 0 BEADMN CCC(CC)(CC)NC(=O)[C@H]1CCCN1C ZINC000166779860 355841114 /nfs/dbraw/zinc/84/11/14/355841114.db2.gz CADPIHUCBFGYBH-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NCc2ncc[nH]2)CS1 ZINC000639369604 355855884 /nfs/dbraw/zinc/85/58/84/355855884.db2.gz ADUHIBMGMRDRPO-ZJUUUORDSA-N 0 1 239.388 2.420 20 0 BEADMN Cc1cn[nH]c1CN1CC(c2ccccc2F)C1 ZINC000336031619 134058122 /nfs/dbraw/zinc/05/81/22/134058122.db2.gz BZRNJXDMZCWUDO-UHFFFAOYSA-N 0 1 245.301 2.457 20 0 BEADMN Fc1ccccc1CN1CC[C@@H](n2cccn2)C1 ZINC000336032448 134058818 /nfs/dbraw/zinc/05/88/18/134058818.db2.gz WZRLVXZQMDTFLD-CYBMUJFWSA-N 0 1 245.301 2.469 20 0 BEADMN Cc1nccnc1CN1CCC(CCF)CC1 ZINC000639376652 355902727 /nfs/dbraw/zinc/90/27/27/355902727.db2.gz SQQFECYSOLZDCN-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN CC(C)C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000583639557 355940430 /nfs/dbraw/zinc/94/04/30/355940430.db2.gz KELREHKYCLQJSI-LLVKDONJSA-N 0 1 249.358 2.141 20 0 BEADMN CC1(NCc2ccc3cnccc3c2)COC1 ZINC000639380385 355916816 /nfs/dbraw/zinc/91/68/16/355916816.db2.gz DWNMYNVZFHOOPM-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN Cc1ccc(CNC2(C)COC2)c(C)c1 ZINC000639381819 355923188 /nfs/dbraw/zinc/92/31/88/355923188.db2.gz IPKNHSMHPWUAPD-UHFFFAOYSA-N 0 1 205.301 2.182 20 0 BEADMN Cc1cccc(CNC2(C)COC2)c1C ZINC000639382788 355932352 /nfs/dbraw/zinc/93/23/52/355932352.db2.gz XJTIOPIAOICLSI-UHFFFAOYSA-N 0 1 205.301 2.182 20 0 BEADMN CCn1cc(CN2CCC(CCF)CC2)cn1 ZINC000639376464 355900509 /nfs/dbraw/zinc/90/05/09/355900509.db2.gz KSTAXGOQFWQRCC-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2ccco2)C1 ZINC000351415697 355987742 /nfs/dbraw/zinc/98/77/42/355987742.db2.gz OQLUUINBGRJYGQ-NTZNESFSSA-N 0 1 221.300 2.309 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@@H]2CC)n1 ZINC000608752490 355966068 /nfs/dbraw/zinc/96/60/68/355966068.db2.gz SNDLWZMFEGKDPF-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1ccns1 ZINC000639390905 356035164 /nfs/dbraw/zinc/03/51/64/356035164.db2.gz PUWZAAKYILXDOT-RNFRBKRXSA-N 0 1 222.235 2.184 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H](O)C2)no1 ZINC000353259238 356037162 /nfs/dbraw/zinc/03/71/62/356037162.db2.gz DPSLWZWFMYVTSB-TUAOUCFPSA-N 0 1 238.331 2.185 20 0 BEADMN Clc1ccccc1CN1CCc2n[nH]nc2C1 ZINC000351642899 356041409 /nfs/dbraw/zinc/04/14/09/356041409.db2.gz HBMIUPFLERGMNW-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000003747819 356048577 /nfs/dbraw/zinc/04/85/77/356048577.db2.gz NBBSYLURZRVBGM-ZDUSSCGKSA-N 0 1 233.311 2.352 20 0 BEADMN COc1ncccc1CN1CCC(C)(F)CC1 ZINC000639389173 356012004 /nfs/dbraw/zinc/01/20/04/356012004.db2.gz SHZTZBDFRDPOQQ-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1nocc1CN1CCC(C)(F)CC1 ZINC000639389505 356016041 /nfs/dbraw/zinc/01/60/41/356016041.db2.gz ZDXXBCPYTQZVLT-UHFFFAOYSA-N 0 1 212.268 2.307 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@H](C3CC3)C2)o1 ZINC000335912005 356128165 /nfs/dbraw/zinc/12/81/65/356128165.db2.gz BPXPJDSGKLGZEC-KCJUWKMLSA-N 0 1 221.304 2.171 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CC=C(C)CC1 ZINC000351731738 356072095 /nfs/dbraw/zinc/07/20/95/356072095.db2.gz OPYXPGLTRKUCQI-LBPRGKRZSA-N 0 1 225.332 2.226 20 0 BEADMN C[C@H](F)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000351735632 356074871 /nfs/dbraw/zinc/07/48/71/356074871.db2.gz MUAWYDVURAWTTC-UWVGGRQHSA-N 0 1 213.300 2.161 20 0 BEADMN COCCN(Cc1cc(O)cc(F)c1)C1CC1 ZINC000351895586 356165010 /nfs/dbraw/zinc/16/50/10/356165010.db2.gz UNSJPCNHSDLROG-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN CCOC1CC(C[N@H+]2C[C@H](C)OC[C@H]2CC)C1 ZINC000351885063 356136900 /nfs/dbraw/zinc/13/69/00/356136900.db2.gz AVKMXEWQEQETNE-RJZJGCCBSA-N 0 1 241.375 2.301 20 0 BEADMN c1cc2c(s1)CCN(CCc1cnccn1)C2 ZINC000639442156 356220288 /nfs/dbraw/zinc/22/02/88/356220288.db2.gz JQHBOVLVGGUPNC-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN O=c1cc(CN2CCc3sccc3C2)cc[nH]1 ZINC000639442238 356220410 /nfs/dbraw/zinc/22/04/10/356220410.db2.gz MMSNRVNWGJZZFQ-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN CC(C)CN(CC(=O)Nc1ccccn1)C1CC1 ZINC000639449283 356230410 /nfs/dbraw/zinc/23/04/10/356230410.db2.gz DDCJHPPUVXSNDO-UHFFFAOYSA-N 0 1 247.342 2.141 20 0 BEADMN CC1(C)CN(Cc2ccc3c(c2)OCCO3)C1 ZINC000639404883 356199052 /nfs/dbraw/zinc/19/90/52/356199052.db2.gz ICNKYPHJHNVVOP-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN COCCN(CCCc1ccccc1)CC(C)=O ZINC000639462001 356250504 /nfs/dbraw/zinc/25/05/04/356250504.db2.gz ZBSPPPAHTVCQFN-UHFFFAOYSA-N 0 1 249.354 2.157 20 0 BEADMN Cc1nc(-c2ccccc2)oc1CN(C)CCO ZINC000639466928 356252607 /nfs/dbraw/zinc/25/26/07/356252607.db2.gz DPAZYYNFVIHFGB-UHFFFAOYSA-N 0 1 246.310 2.074 20 0 BEADMN Cc1nc(CN2Cc3ccccc3C[C@@H]2C)n[nH]1 ZINC000336111042 134086428 /nfs/dbraw/zinc/08/64/28/134086428.db2.gz NDUILHVIBBFRMG-JTQLQIEISA-N 0 1 242.326 2.060 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000617643207 356258584 /nfs/dbraw/zinc/25/85/84/356258584.db2.gz OUYWXXRNUQELDO-QWRGUYRKSA-N 0 1 237.347 2.141 20 0 BEADMN C[C@@H](C(=O)NCC1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000617666873 356267371 /nfs/dbraw/zinc/26/73/71/356267371.db2.gz SMLUKLHCDZLKAB-SRVKXCTJSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000336123830 134092311 /nfs/dbraw/zinc/09/23/11/134092311.db2.gz VPDZXKSTZFJNKM-ZJUUUORDSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1ccccc1SCc1nnc[nH]1 ZINC001640873134 1172197717 /nfs/dbraw/zinc/19/77/17/1172197717.db2.gz BRBFXMZDJXZOMZ-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@H](C)C2)ncn1 ZINC000336125021 134092421 /nfs/dbraw/zinc/09/24/21/134092421.db2.gz RFJMOJVFTMAUJW-JTQLQIEISA-N 0 1 217.316 2.183 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C(C)(C)C)C2)[nH]1 ZINC000336124109 134092807 /nfs/dbraw/zinc/09/28/07/134092807.db2.gz MCKAJUJJIOOMLL-NSHDSACASA-N 0 1 236.363 2.371 20 0 BEADMN C[C@H]1CCCCCN1CC(=O)Nc1ccccn1 ZINC000639491180 356309247 /nfs/dbraw/zinc/30/92/47/356309247.db2.gz KZCISWRKXWCHPS-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN C[C@@H]1CCN(Cc2nc(CC3CC3)no2)[C@@H]1C ZINC000639511202 356345228 /nfs/dbraw/zinc/34/52/28/356345228.db2.gz NPLNQEJCBDSPQP-NXEZZACHSA-N 0 1 235.331 2.252 20 0 BEADMN CC(=O)CN(Cc1ccccc1)[C@@H](CO)C(C)C ZINC000639510960 356345656 /nfs/dbraw/zinc/34/56/56/356345656.db2.gz HNXBSEDABMTIIT-HNNXBMFYSA-N 0 1 249.354 2.095 20 0 BEADMN CCN(CC(C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639511798 356347035 /nfs/dbraw/zinc/34/70/35/356347035.db2.gz HPJNLAFDIONFOL-UHFFFAOYSA-N 0 1 245.273 2.465 20 0 BEADMN C[C@H]1CCN(CC2(C)CCC2)CC[S@]1=O ZINC000336137898 134097026 /nfs/dbraw/zinc/09/70/26/134097026.db2.gz UBQWYDUDMWTOBC-XHDPSFHLSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@H]1N(C[C@H]2CC(C)(C)CO2)CCOC1(C)C ZINC000639518015 356359960 /nfs/dbraw/zinc/35/99/60/356359960.db2.gz VZOKTGGKNOEOQI-VXGBXAGGSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CC2)C[C@@H]1C ZINC000613490115 363462968 /nfs/dbraw/zinc/46/29/68/363462968.db2.gz VBAYSTKHSMEAKN-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN CCN(Cc1cccc(F)c1F)C[C@@H](C)O ZINC000352196409 134099074 /nfs/dbraw/zinc/09/90/74/134099074.db2.gz YVVLRHQVASRFJL-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CCc1cc(O)ccc1NC(=O)c1cn[nH]c1C ZINC000191088901 358503240 /nfs/dbraw/zinc/50/32/40/358503240.db2.gz GMEBCTNLGJSULS-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CC(C)CC[C@H]1CCCCN1C(=O)CN(C)C ZINC000352575160 356382930 /nfs/dbraw/zinc/38/29/30/356382930.db2.gz HJDDHBKNQLGYRW-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(C)=O ZINC000639540190 356393504 /nfs/dbraw/zinc/39/35/04/356393504.db2.gz GPLQRODHZAOTNM-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@H]1CC(C)(C)CO1 ZINC000639550922 356429810 /nfs/dbraw/zinc/42/98/10/356429810.db2.gz DTJPVINJNPMABK-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)C[C@H]2C)n1C1CC1 ZINC000336141974 134100499 /nfs/dbraw/zinc/10/04/99/134100499.db2.gz JQSQEFBBXFCNDV-VHSXEESVSA-N 0 1 234.347 2.152 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CCOC2)c(C)s1 ZINC000087783977 491092189 /nfs/dbraw/zinc/09/21/89/491092189.db2.gz JHKMDASFGSRAOJ-XCBNKYQSSA-N 0 1 226.345 2.199 20 0 BEADMN C[C@@H]1OCC[C@H]1CN1CCC[C@H]1C(F)F ZINC000639555728 356458426 /nfs/dbraw/zinc/45/84/26/356458426.db2.gz RPXLFEIWUCXQLB-GUBZILKMSA-N 0 1 219.275 2.141 20 0 BEADMN CC1(C)CO[C@@H](CN2CCOC3(CCC3)C2)C1 ZINC000639557120 356461097 /nfs/dbraw/zinc/46/10/97/356461097.db2.gz WUDOJEJFLMOQQN-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CCOc1ccc([C@H](C)NCC(C)=O)cc1 ZINC000639563772 356480300 /nfs/dbraw/zinc/48/03/00/356480300.db2.gz ZYYIMALVUKFZGF-NSHDSACASA-N 0 1 221.300 2.325 20 0 BEADMN CC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000639567494 356487949 /nfs/dbraw/zinc/48/79/49/356487949.db2.gz RLTHBNANFJOBHV-UKRRQHHQSA-N 0 1 247.338 2.333 20 0 BEADMN CCCN1C[C@H](CNc2cccc(C)n2)CC1=O ZINC000420647010 192255578 /nfs/dbraw/zinc/25/55/78/192255578.db2.gz BMYFGEWGSHBFKI-LBPRGKRZSA-N 0 1 247.342 2.060 20 0 BEADMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038869357 356492348 /nfs/dbraw/zinc/49/23/48/356492348.db2.gz HFJVQKFQGDMYEC-HNNXBMFYSA-N 0 1 246.354 2.035 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCCC12CCC2 ZINC000336177657 134117656 /nfs/dbraw/zinc/11/76/56/134117656.db2.gz QZAHGWOJCQDMSE-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN C(c1noc(CN2CC[C@H]3CCC[C@@H]32)n1)C1CC1 ZINC000639597672 356517083 /nfs/dbraw/zinc/51/70/83/356517083.db2.gz HBHDLGNLILOMQL-NEPJUHHUSA-N 0 1 247.342 2.397 20 0 BEADMN CC(C)NC(=O)CNCc1ccc2occc2c1 ZINC000352250103 134118962 /nfs/dbraw/zinc/11/89/62/134118962.db2.gz BYRYHPROVMPASG-UHFFFAOYSA-N 0 1 246.310 2.047 20 0 BEADMN CC(=O)CN(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000639647218 356553770 /nfs/dbraw/zinc/55/37/70/356553770.db2.gz HZEGYMIJUKMNEY-STQMWFEESA-N 0 1 249.354 2.062 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CC1CC(F)(F)C1 ZINC000336195965 134125506 /nfs/dbraw/zinc/12/55/06/134125506.db2.gz HTHMYQHYRXFENE-BDAKNGLRSA-N 0 1 219.275 2.141 20 0 BEADMN Cc1ncccc1CN1CCSC[C@H]1C ZINC000179665496 366281999 /nfs/dbraw/zinc/28/19/99/366281999.db2.gz FQXBNWLQNDQJBU-SNVBAGLBSA-N 0 1 222.357 2.327 20 0 BEADMN CCc1nnc(NC(=O)[C@]2(C)CCC[C@H]2C)[nH]1 ZINC000336196746 134126089 /nfs/dbraw/zinc/12/60/89/134126089.db2.gz SYBOIDMINRTWPZ-PRHODGIISA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@]2(C)CCC[C@H]2C)n1 ZINC000336196746 134126090 /nfs/dbraw/zinc/12/60/90/134126090.db2.gz SYBOIDMINRTWPZ-PRHODGIISA-N 0 1 236.319 2.132 20 0 BEADMN FC1(F)CC(C[N@H+]2CCOC[C@H]2C2CC2)C1 ZINC000336197299 134126763 /nfs/dbraw/zinc/12/67/63/134126763.db2.gz OOHOCLBUGNMLIQ-NSHDSACASA-N 0 1 231.286 2.143 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421017513 192305076 /nfs/dbraw/zinc/30/50/76/192305076.db2.gz KAOHEHAYWHALRE-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@]12CCOC2 ZINC000421017513 192305079 /nfs/dbraw/zinc/30/50/79/192305079.db2.gz KAOHEHAYWHALRE-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@]12CCOC2 ZINC000421018220 192304068 /nfs/dbraw/zinc/30/40/68/192304068.db2.gz LCSZGEDOOHKLAM-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN COc1ccc(C)cc1CN1CC[C@]12CCOC2 ZINC000421018220 192304070 /nfs/dbraw/zinc/30/40/70/192304070.db2.gz LCSZGEDOOHKLAM-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000449828419 202041626 /nfs/dbraw/zinc/04/16/26/202041626.db2.gz WYZBEWDNQLHHOG-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN Fc1ccccc1CCN1CC[C@@]12CCOC2 ZINC000421021706 192305566 /nfs/dbraw/zinc/30/55/66/192305566.db2.gz OZIZYAJSQUBSBD-AWEZNQCLSA-N 0 1 235.302 2.233 20 0 BEADMN Cc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000350587356 366303069 /nfs/dbraw/zinc/30/30/69/366303069.db2.gz AYNXEPWPIIDLKB-YIZRAAEISA-N 0 1 209.293 2.312 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1cccc(C2CC2)c1 ZINC000421321544 192318358 /nfs/dbraw/zinc/31/83/58/192318358.db2.gz RMZDKQXFZYEOFJ-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN C[C@H]1COC(C)(C)CN1Cc1ccn(C)c1 ZINC000336205928 134131942 /nfs/dbraw/zinc/13/19/42/134131942.db2.gz VWQCJAHYAKNDPM-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@H]1CN(C)CCN1CC(F)(F)CC ZINC000639656095 356571562 /nfs/dbraw/zinc/57/15/62/356571562.db2.gz GCPHMPZQOVLCDX-JTQLQIEISA-N 0 1 220.307 2.058 20 0 BEADMN CC(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000639657398 356572361 /nfs/dbraw/zinc/57/23/61/356572361.db2.gz ZCNGQZAQIHNCDM-AWEZNQCLSA-N 0 1 217.312 2.455 20 0 BEADMN CC(=O)CNC(C)(C)c1ccccc1C ZINC000639657222 356572694 /nfs/dbraw/zinc/57/26/94/356572694.db2.gz WZEJPRPDSDMVHU-UHFFFAOYSA-N 0 1 205.301 2.409 20 0 BEADMN CN(CC(=O)Nc1ccccn1)C1CC(C)(C)C1 ZINC000639670960 356586359 /nfs/dbraw/zinc/58/63/59/356586359.db2.gz KAEZOQUYTDOYOK-UHFFFAOYSA-N 0 1 247.342 2.141 20 0 BEADMN COC1CC(NCc2cc(C(C)C)no2)C1 ZINC000381327511 538467585 /nfs/dbraw/zinc/46/75/85/538467585.db2.gz RQMHQNRPQMLPHK-UHFFFAOYSA-N 0 1 224.304 2.065 20 0 BEADMN CCN1[C@H](C)CN(Cc2nccs2)C[C@@H]1C ZINC000639743683 356635384 /nfs/dbraw/zinc/63/53/84/356635384.db2.gz SLSJCLXUAMYWTP-PHIMTYICSA-N 0 1 239.388 2.058 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](C)C(C)(C)O)cs1 ZINC000380123887 538465271 /nfs/dbraw/zinc/46/52/71/538465271.db2.gz REDUHVJEDSZGJN-SFYZADRCSA-N 0 1 228.361 2.262 20 0 BEADMN CC[C@H]1CCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450240395 202103784 /nfs/dbraw/zinc/10/37/84/202103784.db2.gz GIJXACXTMJJRRF-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)C(C)(C)O)cs1 ZINC000380123888 538465327 /nfs/dbraw/zinc/46/53/27/538465327.db2.gz REDUHVJEDSZGJN-YUMQZZPRSA-N 0 1 228.361 2.262 20 0 BEADMN COCc1nc(CN[C@H]2CC[C@@H]2C)cs1 ZINC000380328943 538466106 /nfs/dbraw/zinc/46/61/06/538466106.db2.gz NHOREFADILELMU-WPRPVWTQSA-N 0 1 226.345 2.178 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cn(CC2CC2)nn1 ZINC000450254912 202109408 /nfs/dbraw/zinc/10/94/08/202109408.db2.gz LFFCQMPZWSPYMB-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN COCc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000350598750 366308144 /nfs/dbraw/zinc/30/81/44/366308144.db2.gz PPSZFDVEONBZBH-GUBZILKMSA-N 0 1 239.319 2.150 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1ccnn1C ZINC000179804756 366311382 /nfs/dbraw/zinc/31/13/82/366311382.db2.gz PEEDHPIEIJZSJC-GFCCVEGCSA-N 0 1 241.338 2.367 20 0 BEADMN CC(C)[C@@H]1CN(Cc2ccc(CO)cc2)CCO1 ZINC000352784594 134152315 /nfs/dbraw/zinc/15/23/15/134152315.db2.gz OZKBBLQUEBQZSV-HNNXBMFYSA-N 0 1 249.354 2.036 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)(F)F ZINC000389480477 356688025 /nfs/dbraw/zinc/68/80/25/356688025.db2.gz FIZTZDAVBNZPMT-KXUCPTDWSA-N 0 1 232.318 2.245 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@H]1CCC(F)(F)C1 ZINC000450401220 202153023 /nfs/dbraw/zinc/15/30/23/202153023.db2.gz HPSYWPLQXBHQIS-VIFPVBQESA-N 0 1 229.274 2.277 20 0 BEADMN c1n[nH]cc1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000639776870 356719700 /nfs/dbraw/zinc/71/97/00/356719700.db2.gz PTCWRRLZCOUVKL-CQSZACIVSA-N 0 1 242.326 2.184 20 0 BEADMN OCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054338040 363567610 /nfs/dbraw/zinc/56/76/10/363567610.db2.gz DMKYMGLFAPTDNC-HNNXBMFYSA-N 0 1 249.354 2.050 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@@H]2CC)[nH]1 ZINC000355053227 356748318 /nfs/dbraw/zinc/74/83/18/356748318.db2.gz OEKLQUCZEYTTMV-ZJUUUORDSA-N 0 1 222.336 2.130 20 0 BEADMN CCc1nnc(C[N@H+](C)C[C@@H]2CC=CCC2)[nH]1 ZINC000355043237 356748495 /nfs/dbraw/zinc/74/84/95/356748495.db2.gz BGDCEVWGEJKHPV-LLVKDONJSA-N 0 1 234.347 2.155 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000450457043 202170531 /nfs/dbraw/zinc/17/05/31/202170531.db2.gz ZMGHRAMPUARIRZ-BXUZGUMPSA-N 0 1 248.374 2.309 20 0 BEADMN CCc1csc(NC(=O)c2ncccc2O)n1 ZINC000355754792 356773821 /nfs/dbraw/zinc/77/38/21/356773821.db2.gz ZEEYEPOJSMXBLS-UHFFFAOYSA-N 0 1 249.295 2.058 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639810984 356789789 /nfs/dbraw/zinc/78/97/89/356789789.db2.gz YQTQRBCDRXSIOR-RNFRBKRXSA-N 0 1 243.257 2.218 20 0 BEADMN CN1CCN(CC2=CCCCC2)C(C)(C)C1=O ZINC000450490548 202184643 /nfs/dbraw/zinc/18/46/43/202184643.db2.gz ZWVSAFQHMYVLDX-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000357003665 356811833 /nfs/dbraw/zinc/81/18/33/356811833.db2.gz ZRASOMMDHGMBJI-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](NCc1nc(CC2CC2)no1)C1CC1 ZINC000639829049 356812617 /nfs/dbraw/zinc/81/26/17/356812617.db2.gz RLYQPCKQHLLICD-NSHDSACASA-N 0 1 235.331 2.300 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000654713900 538696807 /nfs/dbraw/zinc/69/68/07/538696807.db2.gz XKCWYFJMEHMHSJ-UTUOFQBUSA-N 0 1 249.358 2.378 20 0 BEADMN O=C1CN(CC2=CCCCC2)[C@@H]2CCCC[C@@H]2N1 ZINC000450488557 202181930 /nfs/dbraw/zinc/18/19/30/202181930.db2.gz XVONHUWILYJWHW-UONOGXRCSA-N 0 1 248.370 2.230 20 0 BEADMN O=C1CN(CC2=CCCCC2)[C@@H]2CCCC[C@H]2N1 ZINC000450488558 202182540 /nfs/dbraw/zinc/18/25/40/202182540.db2.gz XVONHUWILYJWHW-ZIAGYGMSSA-N 0 1 248.370 2.230 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450488921 202183007 /nfs/dbraw/zinc/18/30/07/202183007.db2.gz YHFQJSAZLZHTFT-AWEZNQCLSA-N 0 1 248.374 2.310 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358715029 356876294 /nfs/dbraw/zinc/87/62/94/356876294.db2.gz VADWKMXVVXHGSV-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN COCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000054355896 363569412 /nfs/dbraw/zinc/56/94/12/363569412.db2.gz GQZPZEOTCHEXKB-UHFFFAOYSA-N 0 1 246.310 2.420 20 0 BEADMN COCCCCN1CCC[C@H]1c1ncccn1 ZINC000639842374 356836424 /nfs/dbraw/zinc/83/64/24/356836424.db2.gz DGNGJOCSAZWARY-LBPRGKRZSA-N 0 1 235.331 2.040 20 0 BEADMN CC(C)OCCCN1CCC[C@H]1c1ncccn1 ZINC000639843436 356839104 /nfs/dbraw/zinc/83/91/04/356839104.db2.gz QTOJQDRXZZQYFS-ZDUSSCGKSA-N 0 1 249.358 2.429 20 0 BEADMN CCC[C@@H](CC)NC(=O)CCc1cnc[nH]1 ZINC000352540474 538723672 /nfs/dbraw/zinc/72/36/72/538723672.db2.gz LNVBHEKPZZCQKX-SNVBAGLBSA-N 0 1 223.320 2.037 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CC1CC(F)(F)C1 ZINC000450563650 202197954 /nfs/dbraw/zinc/19/79/54/202197954.db2.gz OJDQRBOHFDZHCF-UHFFFAOYSA-N 0 1 249.301 2.305 20 0 BEADMN CCCC(O)(CCC)CN[C@H](C)c1ncc[nH]1 ZINC000353514745 538747048 /nfs/dbraw/zinc/74/70/48/538747048.db2.gz CVUVJJZKJXQXHI-LLVKDONJSA-N 0 1 239.363 2.392 20 0 BEADMN CCN(Cc1ccc(C)cn1)[C@@H]1CCOC1 ZINC000361235510 356920915 /nfs/dbraw/zinc/92/09/15/356920915.db2.gz BZNGLZJEGVUZLC-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(Cc1cnn(C(C)C)c1)[C@@H]1CCOC1 ZINC000361250139 356921399 /nfs/dbraw/zinc/92/13/99/356921399.db2.gz IDFHHLATAVJWMC-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2ncc[nH]2)C1(C)C ZINC000353521574 538749838 /nfs/dbraw/zinc/74/98/38/538749838.db2.gz QFHAELMEUNIEHU-GIPNMCIBSA-N 0 1 237.347 2.264 20 0 BEADMN C[C@@H](N[C@@H](CO)CCC(C)(C)C)c1ncc[nH]1 ZINC000353592786 538751707 /nfs/dbraw/zinc/75/17/07/538751707.db2.gz KEVJPPQOSFCLEQ-GHMZBOCLSA-N 0 1 239.363 2.248 20 0 BEADMN c1coc(CCNCc2cscn2)c1 ZINC000040421034 356938653 /nfs/dbraw/zinc/93/86/53/356938653.db2.gz YXTGOGDMCUDNOT-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN CC(=O)CN(C)C[C@H]1CCc2ccccc21 ZINC000639865321 356962014 /nfs/dbraw/zinc/96/20/14/356962014.db2.gz PUXRRFMAGKMQKJ-CYBMUJFWSA-N 0 1 217.312 2.237 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cccc(F)c1C ZINC000399606138 356984758 /nfs/dbraw/zinc/98/47/58/356984758.db2.gz AXKTXIVEOPJMBT-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CCC(C)(C)CC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000261587305 535351164 /nfs/dbraw/zinc/35/11/64/535351164.db2.gz RRABLEQDDBHVKC-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](NCCOC(C)(C)C)c1ccn(C)n1 ZINC000543635005 325099376 /nfs/dbraw/zinc/09/93/76/325099376.db2.gz DQLHJZLWFPCAEI-LLVKDONJSA-N 0 1 239.363 2.276 20 0 BEADMN Cc1cncc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000631656445 357002765 /nfs/dbraw/zinc/00/27/65/357002765.db2.gz HQUFABDBGUXVAH-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC[N@H+]1CCC[C@H]1CNC(=O)CCC(C)C ZINC000054460338 363571994 /nfs/dbraw/zinc/57/19/94/363571994.db2.gz MYLBGNNBOWGHRI-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000054460744 363572088 /nfs/dbraw/zinc/57/20/88/363572088.db2.gz BIADGJJIGBTCSC-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccc(F)c(F)c1 ZINC000390624156 357108231 /nfs/dbraw/zinc/10/82/31/357108231.db2.gz JIHGGAKOILYVRV-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN c1nnn2c1CN(CCCC1CCCCC1)CC2 ZINC000582371443 357114107 /nfs/dbraw/zinc/11/41/07/357114107.db2.gz ZGAZBZUHCFOMFL-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCOc1ccc2nc(CCCCO)[nH]c2c1 ZINC000026462169 357135678 /nfs/dbraw/zinc/13/56/78/357135678.db2.gz KEJPDNFWUGFNKP-UHFFFAOYSA-N 0 1 234.299 2.277 20 0 BEADMN CN(C[C@H]1CC=CCC1)C(=O)CCc1cnc[nH]1 ZINC000355928502 538805048 /nfs/dbraw/zinc/80/50/48/538805048.db2.gz YAUGQJRAUUNZAY-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN CC(C)N(C(=O)CCc1cnc[nH]1)C1CCC1 ZINC000356144373 538806744 /nfs/dbraw/zinc/80/67/44/538806744.db2.gz FESVMODFZJPYCI-UHFFFAOYSA-N 0 1 235.331 2.132 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccnc(C)c1 ZINC000391141565 357122530 /nfs/dbraw/zinc/12/25/30/357122530.db2.gz RQIPOQDIZFKTLV-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCC(C)(C)F ZINC000631660396 357196136 /nfs/dbraw/zinc/19/61/36/357196136.db2.gz VRGMGQPLISSKDW-QMMMGPOBSA-N 0 1 213.300 2.127 20 0 BEADMN Clc1ccc2nc(CN3C[C@@H]4C[C@@H]4C3)cn2c1 ZINC000628409625 357206753 /nfs/dbraw/zinc/20/67/53/357206753.db2.gz WKZGCZMPDKNVQW-AOOOYVTPSA-N 0 1 247.729 2.439 20 0 BEADMN COc1ccc(F)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410565 357215117 /nfs/dbraw/zinc/21/51/17/357215117.db2.gz NPYVXMOUSCTYGG-AOOOYVTPSA-N 0 1 221.275 2.286 20 0 BEADMN c1coc(CNCCOCC2CCC2)c1 ZINC000393790926 357299301 /nfs/dbraw/zinc/29/93/01/357299301.db2.gz IXKWMUDNYCYXKA-UHFFFAOYSA-N 0 1 209.289 2.186 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccncc1F ZINC000393906437 357305792 /nfs/dbraw/zinc/30/57/92/357305792.db2.gz NFCLYCNOWQDGGT-JFUSQASVSA-N 0 1 224.279 2.049 20 0 BEADMN c1nc(NCc2cnc(-c3ccccc3)[nH]2)c[nH]1 ZINC000582458219 357259635 /nfs/dbraw/zinc/25/96/35/357259635.db2.gz BESALSSNWBMFCU-UHFFFAOYSA-N 0 1 239.282 2.412 20 0 BEADMN Cc1cccc([C@@H](C)N(C)CC(=O)N(C)C)c1 ZINC000072557523 325154728 /nfs/dbraw/zinc/15/47/28/325154728.db2.gz QCHLXVSVFAELHA-GFCCVEGCSA-N 0 1 234.343 2.076 20 0 BEADMN COCC[C@H]1CCC[C@H]1NCC(C)(F)F ZINC000393947116 357321572 /nfs/dbraw/zinc/32/15/72/357321572.db2.gz NOKYFOIKWSBMJB-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN CCc1cc(C(=O)N(CC)Cc2ccoc2)n[nH]1 ZINC000102370816 357381685 /nfs/dbraw/zinc/38/16/85/357381685.db2.gz TXPLQFOLLJXYFO-UHFFFAOYSA-N 0 1 247.298 2.227 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(F)(F)F ZINC000397111230 357505840 /nfs/dbraw/zinc/50/58/40/357505840.db2.gz RRDVSLXVCWIXDE-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1cnccn1 ZINC000582950243 357444516 /nfs/dbraw/zinc/44/45/16/357444516.db2.gz NVHRRVMYAXMESU-MRVPVSSYSA-N 0 1 233.237 2.297 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639909284 357447886 /nfs/dbraw/zinc/44/78/86/357447886.db2.gz DZVZKRZDVQOIKF-ZCFIWIBFSA-N 0 1 231.246 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000582971249 357448298 /nfs/dbraw/zinc/44/82/98/357448298.db2.gz UZPMAXQQNIBSOT-SNVBAGLBSA-N 0 1 231.295 2.007 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)[C@H](C)CC(=O)[O-] ZINC000583036290 357466851 /nfs/dbraw/zinc/46/68/51/357466851.db2.gz IIBNGIUZLUTBPV-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)n1ccc(CN[C@H]2COC(C)(C)C2)n1 ZINC000396517607 357481491 /nfs/dbraw/zinc/48/14/91/357481491.db2.gz SWVNGWYOXHLPSQ-GFCCVEGCSA-N 0 1 237.347 2.121 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CCC(C)C ZINC000072953109 325183177 /nfs/dbraw/zinc/18/31/77/325183177.db2.gz FAQACMVIJMZPBH-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1ccncc1C ZINC000583142381 357492852 /nfs/dbraw/zinc/49/28/52/357492852.db2.gz SDDVYTQXIRASCE-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1CN(C[C@H](O)CC2CCCC2)CCO1 ZINC000188637462 357569559 /nfs/dbraw/zinc/56/95/59/357569559.db2.gz BOTKGAHASUZEDZ-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)CC2CCCC2)C[C@H](C)O1 ZINC000188643200 357571011 /nfs/dbraw/zinc/57/10/11/357571011.db2.gz BQSVHSSWIRHYGU-SCRDCRAPSA-N 0 1 241.375 2.037 20 0 BEADMN CC1=CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000230812894 357574684 /nfs/dbraw/zinc/57/46/84/357574684.db2.gz CNJMJRQUYRNELE-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN C[C@@H]1CC[C@@H](CNc2ncnc3[nH]cnc32)C1 ZINC000230431255 357525014 /nfs/dbraw/zinc/52/50/14/357525014.db2.gz QHISFNOMJGCYQC-RKDXNWHRSA-N 0 1 231.303 2.201 20 0 BEADMN CC/C=C\CCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000588476065 538852139 /nfs/dbraw/zinc/85/21/39/538852139.db2.gz SYYVUVQFYVMXMM-NMEQGOOXSA-N 0 1 239.359 2.223 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000230800207 357565324 /nfs/dbraw/zinc/56/53/24/357565324.db2.gz NMLLNVRFQHLIGJ-MFKMUULPSA-N 0 1 234.343 2.157 20 0 BEADMN CCc1nnc(SCC[C@H]2CCCO2)[nH]1 ZINC000188895727 357595871 /nfs/dbraw/zinc/59/58/71/357595871.db2.gz SCUYSFIZRZESLD-MRVPVSSYSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SCC[C@H]2CCCO2)n1 ZINC000188895727 357595877 /nfs/dbraw/zinc/59/58/77/357595877.db2.gz SCUYSFIZRZESLD-MRVPVSSYSA-N 0 1 227.333 2.028 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H](O)C(C)C)c(C)s1 ZINC000159060516 538873212 /nfs/dbraw/zinc/87/32/12/538873212.db2.gz WCSSTLFTMNJOGN-GZMMTYOYSA-N 0 1 242.388 2.427 20 0 BEADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cnccn1 ZINC000231791463 357629756 /nfs/dbraw/zinc/62/97/56/357629756.db2.gz YQMNGNQQPTVYHT-JGVFFNPUSA-N 0 1 233.237 2.468 20 0 BEADMN CCc1nnc(SC[C@@H]2CC[C@@H](C)O2)[nH]1 ZINC000189999357 357679569 /nfs/dbraw/zinc/67/95/69/357679569.db2.gz HHRXHWGPDQFXNM-SFYZADRCSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CC[C@@H](C)O2)n1 ZINC000189999357 357679574 /nfs/dbraw/zinc/67/95/74/357679574.db2.gz HHRXHWGPDQFXNM-SFYZADRCSA-N 0 1 227.333 2.027 20 0 BEADMN COCC[N@@H+](C[C@@H](O)CC1CCCC1)C1CC1 ZINC000232143606 357647787 /nfs/dbraw/zinc/64/77/87/357647787.db2.gz RBFLDLDVSPCHML-AWEZNQCLSA-N 0 1 241.375 2.038 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CC[C@H](C)O2)n1 ZINC000189999343 357679410 /nfs/dbraw/zinc/67/94/10/357679410.db2.gz HHRXHWGPDQFXNM-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN C[C@@H]1CCN(c2ccnc3ccccc32)[C@@H]1CO ZINC000189715560 357657862 /nfs/dbraw/zinc/65/78/62/357657862.db2.gz BDFIZCNIIOVKOD-IAQYHMDHSA-N 0 1 242.322 2.442 20 0 BEADMN CCc1nnc(SC[C@H]2CC[C@H](C)O2)[nH]1 ZINC000189999343 357679405 /nfs/dbraw/zinc/67/94/05/357679405.db2.gz HHRXHWGPDQFXNM-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN FC(F)(F)[C@H]1CCCN(CCn2cccn2)C1 ZINC000064031183 357711237 /nfs/dbraw/zinc/71/12/37/357711237.db2.gz HSLPCXDNBOMYDV-JTQLQIEISA-N 0 1 247.264 2.157 20 0 BEADMN C[C@H]1OCCN(C[C@H](O)CC2CCCC2)[C@@H]1C ZINC000190721376 357719651 /nfs/dbraw/zinc/71/96/51/357719651.db2.gz GKBLMMYSJVWJOU-YRGRVCCFSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@H](NCc1cocn1)[C@@H]1COc2ccccc21 ZINC000191110585 357751023 /nfs/dbraw/zinc/75/10/23/357751023.db2.gz WLPCPAPAVSEMEH-GWCFXTLKSA-N 0 1 244.294 2.329 20 0 BEADMN COc1cccc(Cl)c1CNC[C@@H](C)OC ZINC000191209906 357758121 /nfs/dbraw/zinc/75/81/21/357758121.db2.gz WKWSYZZRGFTQJI-SECBINFHSA-N 0 1 243.734 2.473 20 0 BEADMN CCN(CC(C)C)[C@H](C)c1nnnn1C1CC1 ZINC000191935661 357804951 /nfs/dbraw/zinc/80/49/51/357804951.db2.gz IVLNANDEUMNXMX-SNVBAGLBSA-N 0 1 237.351 2.047 20 0 BEADMN CCOC(=O)CN(CCC1CC1)CC1CC1 ZINC000610368079 357812649 /nfs/dbraw/zinc/81/26/49/357812649.db2.gz CHIXDIZNFUWISP-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN CCCN(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000191972730 357818152 /nfs/dbraw/zinc/81/81/52/357818152.db2.gz GTMWBRNFHWUZIT-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@H](NCc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000193124165 357860753 /nfs/dbraw/zinc/86/07/53/357860753.db2.gz SOPFGOMDQQYCSH-ZYHUDNBSSA-N 0 1 246.310 2.485 20 0 BEADMN CCN(Cc1cc(C)c(C(=O)OC)o1)C1CC1 ZINC000192611499 357840738 /nfs/dbraw/zinc/84/07/38/357840738.db2.gz NWWOCPOCPYRLLA-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN COc1ncccc1CN(C(C)C)C1CC1 ZINC000193309309 357874383 /nfs/dbraw/zinc/87/43/83/357874383.db2.gz SIMOUAPALHHEFP-UHFFFAOYSA-N 0 1 220.316 2.463 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1ccnn1C ZINC000235521077 357875384 /nfs/dbraw/zinc/87/53/84/357875384.db2.gz LLRUQHGBACMPLJ-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929540 357890571 /nfs/dbraw/zinc/89/05/71/357890571.db2.gz NOMUSYBTLDDRCN-PWSUYJOCSA-N 0 1 223.316 2.433 20 0 BEADMN Cc1nc(CN2CC(C)(C)[C@H]2c2ccco2)n[nH]1 ZINC000639929877 357898749 /nfs/dbraw/zinc/89/87/49/357898749.db2.gz RLEVEOPVBZZLKH-GFCCVEGCSA-N 0 1 246.314 2.289 20 0 BEADMN FC(F)(F)[C@@H]1CCCN(CCn2cccn2)C1 ZINC000193475617 357928367 /nfs/dbraw/zinc/92/83/67/357928367.db2.gz HSLPCXDNBOMYDV-SNVBAGLBSA-N 0 1 247.264 2.157 20 0 BEADMN C[C@@H]1CC[C@H](C)N1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639935254 357933918 /nfs/dbraw/zinc/93/39/18/357933918.db2.gz IENKHQOGNIXBLN-KNVOCYPGSA-N 0 1 243.257 2.360 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2F)[C@H](CO)C1 ZINC000639935834 357936656 /nfs/dbraw/zinc/93/66/56/357936656.db2.gz OBVKTDCPBDEVAV-YPMHNXCESA-N 0 1 237.318 2.419 20 0 BEADMN CC(C)(C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000584476484 357991881 /nfs/dbraw/zinc/99/18/81/357991881.db2.gz MPOAJRXZRHEZHM-UHFFFAOYSA-N 0 1 235.262 2.230 20 0 BEADMN CC(C)(N[C@@H]1CCCOCC1)C(F)F ZINC000307516378 491118669 /nfs/dbraw/zinc/11/86/69/491118669.db2.gz GPHILYDGWQYODS-MRVPVSSYSA-N 0 1 207.264 2.189 20 0 BEADMN CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000036090508 358010568 /nfs/dbraw/zinc/01/05/68/358010568.db2.gz NUQLUOMYXLNYLF-LBPRGKRZSA-N 0 1 240.734 2.079 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000584525727 358034330 /nfs/dbraw/zinc/03/43/30/358034330.db2.gz BEFIMQXWOVHJFT-XCBNKYQSSA-N 0 1 247.273 2.230 20 0 BEADMN CN(CCC1CC1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639992810 358040193 /nfs/dbraw/zinc/04/01/93/358040193.db2.gz HDBHBMYTPVZYSS-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN CCC[N@H+](Cc1ncccc1[O-])C(C)C ZINC000584538688 358049340 /nfs/dbraw/zinc/04/93/40/358049340.db2.gz XUKMHTVDGKZSCU-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN CCC[N@@H+](Cc1ncccc1[O-])C(C)C ZINC000584538688 358049341 /nfs/dbraw/zinc/04/93/41/358049341.db2.gz XUKMHTVDGKZSCU-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN Cc1ccnc(NCC2(CO)CCCC2)c1 ZINC000168710552 134246636 /nfs/dbraw/zinc/24/66/36/134246636.db2.gz JXKSVZALVORFSW-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN CC(C)[N@@H+](CCCC(=O)[O-])Cc1ccco1 ZINC000037474402 358071065 /nfs/dbraw/zinc/07/10/65/358071065.db2.gz TXBGWSIOEQEFTQ-UHFFFAOYSA-N 0 1 225.288 2.355 20 0 BEADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000076145485 325333456 /nfs/dbraw/zinc/33/34/56/325333456.db2.gz ZVYLDQRJYGDDHT-GXTWGEPZSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1ccc([C@H]2CCC[N@H+]2CCC(=O)[O-])o1 ZINC000584685264 358151460 /nfs/dbraw/zinc/15/14/60/358151460.db2.gz QMCDSVBIXQJPGJ-LLVKDONJSA-N 0 1 237.299 2.454 20 0 BEADMN CCc1nc([C@@H](C)N2CCC(C)(F)CC2)n[nH]1 ZINC000640071927 358161040 /nfs/dbraw/zinc/16/10/40/358161040.db2.gz BKCAAHSASPRJIJ-SECBINFHSA-N 0 1 240.326 2.252 20 0 BEADMN CCC[C@H]1C(=O)NCCN1CC1=CCCCC1 ZINC000450648251 202225763 /nfs/dbraw/zinc/22/57/63/202225763.db2.gz XVRTXVZSRHRAPP-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CC(C)OCCCN1CCC(=O)CC12CCC2 ZINC000584847700 358200907 /nfs/dbraw/zinc/20/09/07/358200907.db2.gz VRNHIGCGXMSKMG-UHFFFAOYSA-N 0 1 239.359 2.389 20 0 BEADMN Cc1nc([C@H](C)N2Cc3ccccc3CO2)n[nH]1 ZINC000640125780 358204619 /nfs/dbraw/zinc/20/46/19/358204619.db2.gz APILWUDDBXNKQX-VIFPVBQESA-N 0 1 244.298 2.122 20 0 BEADMN Oc1cccnc1CN1CCc2sccc2C1 ZINC000584865470 358207170 /nfs/dbraw/zinc/20/71/70/358207170.db2.gz AIERDMOFTZGQQK-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN FCCCN1CCN(c2cccc(F)c2)CC1 ZINC000640137444 358225292 /nfs/dbraw/zinc/22/52/92/358225292.db2.gz OFWABZCRMJUKPO-UHFFFAOYSA-N 0 1 240.297 2.307 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nccc(OC)n1 ZINC000450677903 202233069 /nfs/dbraw/zinc/23/30/69/202233069.db2.gz GMPKCATXWWZYGM-VHSXEESVSA-N 0 1 223.320 2.009 20 0 BEADMN Cc1oc(C[N@@H+]2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000040718703 358245510 /nfs/dbraw/zinc/24/55/10/358245510.db2.gz IZRDTGPSRXLFGI-MRVPVSSYSA-N 0 1 223.272 2.128 20 0 BEADMN COc1ccnc(CN[C@H](C)C2CCCC2)n1 ZINC000450729354 202249786 /nfs/dbraw/zinc/24/97/86/202249786.db2.gz PCFOYXPJRFAHBI-SNVBAGLBSA-N 0 1 235.331 2.154 20 0 BEADMN COC[C@@H](NCCC[C@H](C)O)c1ccc(C)o1 ZINC000450725887 202247261 /nfs/dbraw/zinc/24/72/61/202247261.db2.gz JKSQWGFWKXLKEE-CMPLNLGQSA-N 0 1 241.331 2.026 20 0 BEADMN COC[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000172915474 134270980 /nfs/dbraw/zinc/27/09/80/134270980.db2.gz CKZDUXSHUVCEAI-ZETCQYMHSA-N 0 1 229.349 2.229 20 0 BEADMN COC[C@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000172915474 134270981 /nfs/dbraw/zinc/27/09/81/134270981.db2.gz CKZDUXSHUVCEAI-ZETCQYMHSA-N 0 1 229.349 2.229 20 0 BEADMN CCc1nnc(SCC2(OC)CCC2)[nH]1 ZINC000450771138 202262209 /nfs/dbraw/zinc/26/22/09/202262209.db2.gz FVLXSVROHWIDJU-UHFFFAOYSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SCC2(OC)CCC2)n1 ZINC000450771138 202262211 /nfs/dbraw/zinc/26/22/11/202262211.db2.gz FVLXSVROHWIDJU-UHFFFAOYSA-N 0 1 227.333 2.028 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CCn3nncc3C2)C1 ZINC000578206316 366390611 /nfs/dbraw/zinc/39/06/11/366390611.db2.gz OXZOKONHSFWNPV-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000042162821 358341959 /nfs/dbraw/zinc/34/19/59/358341959.db2.gz WXWORFWIJXAUEI-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](NCC1(CO)CCCC1)c1cscn1 ZINC000229132391 358345751 /nfs/dbraw/zinc/34/57/51/358345751.db2.gz VXRFQMXTGMQCRL-SNVBAGLBSA-N 0 1 240.372 2.346 20 0 BEADMN Cc1cccc(CNCc2ccncc2C)n1 ZINC000228670853 358382399 /nfs/dbraw/zinc/38/23/99/358382399.db2.gz IRRBFJXIRAGLFK-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1)C(=O)[O-] ZINC000042704833 358356011 /nfs/dbraw/zinc/35/60/11/358356011.db2.gz GMOGINHDPBWFIB-LZGFCCKTSA-N 0 1 233.311 2.352 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831768 358364763 /nfs/dbraw/zinc/36/47/63/358364763.db2.gz NWRGQCGYYDVVLO-RISCZKNCSA-N 0 1 248.326 2.329 20 0 BEADMN CC(C)(C)CNC(=O)[C@H]1NCCc2ccccc21 ZINC000044427023 358408855 /nfs/dbraw/zinc/40/88/55/358408855.db2.gz MUNSZLPTFKMGSF-ZDUSSCGKSA-N 0 1 246.354 2.036 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000228747260 358385486 /nfs/dbraw/zinc/38/54/86/358385486.db2.gz AMTBDGAYSKFAMB-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000228757646 358385622 /nfs/dbraw/zinc/38/56/22/358385622.db2.gz XVYDKWKTPRSTKM-QWRGUYRKSA-N 0 1 209.289 2.034 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@H]2CC=CCC2)cc1 ZINC000230801210 358412051 /nfs/dbraw/zinc/41/20/51/358412051.db2.gz CTWSYKGTWUCHNN-UONOGXRCSA-N 0 1 244.338 2.220 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000229308448 358400966 /nfs/dbraw/zinc/40/09/66/358400966.db2.gz UEELTIUGTRRHPJ-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)CN(C)C(=O)c1cccc2n[nH]cc21 ZINC000042043231 358517442 /nfs/dbraw/zinc/51/74/42/358517442.db2.gz REJJGOOSMMCTGQ-UHFFFAOYSA-N 0 1 231.299 2.291 20 0 BEADMN CCN(Cc1cccc(F)c1)C(=O)c1ccn[nH]1 ZINC000042399007 358522717 /nfs/dbraw/zinc/52/27/17/358522717.db2.gz SNEMXEDLNOQWLY-UHFFFAOYSA-N 0 1 247.273 2.211 20 0 BEADMN COC(C)(C)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000231032265 358413160 /nfs/dbraw/zinc/41/31/60/358413160.db2.gz DPALOTMGUBRQPU-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN C=C(CC)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299898983 358420022 /nfs/dbraw/zinc/42/00/22/358420022.db2.gz WLIYMZRVEAMZCN-SRVKXCTJSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@H](NC[C@H]1CCCOC1)C(C)(F)F ZINC000389478792 358425497 /nfs/dbraw/zinc/42/54/97/358425497.db2.gz CKSSCZZWQOHJHY-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@H](O)CCN[C@H](CF)c1ccc(F)cc1 ZINC000640155355 358439136 /nfs/dbraw/zinc/43/91/36/358439136.db2.gz UONFTJFYRMNUKJ-JOYOIKCWSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cnn(C)c1 ZINC000044495104 358549379 /nfs/dbraw/zinc/54/93/79/358549379.db2.gz XMAZPLGYXRCXBM-WDEREUQCSA-N 0 1 230.315 2.227 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](CC)C1 ZINC000251897553 535427884 /nfs/dbraw/zinc/42/78/84/535427884.db2.gz WNPOZAFEIGSLIR-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCN(CC(=O)N1CCc2ccccc21)C1CC1 ZINC000045770746 358565542 /nfs/dbraw/zinc/56/55/42/358565542.db2.gz VMXNTCWWEVEUHR-UHFFFAOYSA-N 0 1 244.338 2.060 20 0 BEADMN CCN(CC(=O)N[C@@H](C)CCC(C)C)C1CC1 ZINC000046059077 358569006 /nfs/dbraw/zinc/56/90/06/358569006.db2.gz FUAVEUCSZBTGDG-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccn[nH]1 ZINC000047990294 358608797 /nfs/dbraw/zinc/60/87/97/358608797.db2.gz RSZQDBSTJQOUGQ-VIFPVBQESA-N 0 1 247.273 2.382 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000167088750 358615065 /nfs/dbraw/zinc/61/50/65/358615065.db2.gz VJDVLQGWEDDXHQ-IUCAKERBSA-N 0 1 214.334 2.137 20 0 BEADMN Cc1noc(CN2CCC[C@H]2CC(C)C)n1 ZINC000130262133 358615078 /nfs/dbraw/zinc/61/50/78/358615078.db2.gz LYFDXHVPXLHXMD-NSHDSACASA-N 0 1 223.320 2.389 20 0 BEADMN CC(C)c1cc(C(=O)N(C)Cc2ccoc2)n[nH]1 ZINC000048820357 358656991 /nfs/dbraw/zinc/65/69/91/358656991.db2.gz FOHIBCQRTFRZIV-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1nc2ccccc2n1C ZINC000131302951 358670793 /nfs/dbraw/zinc/67/07/93/358670793.db2.gz PUNHNLLSOXANRN-WDEREUQCSA-N 0 1 245.326 2.013 20 0 BEADMN c1ccc(CNCCOC2CCCC2)nc1 ZINC000049948530 358706993 /nfs/dbraw/zinc/70/69/93/358706993.db2.gz VOPSQMBMAYKYAJ-UHFFFAOYSA-N 0 1 220.316 2.130 20 0 BEADMN CC[N@@H+](Cc1nnc(C)n1C)C1CCCCC1 ZINC000052559491 358785745 /nfs/dbraw/zinc/78/57/45/358785745.db2.gz HPMVEFIAEWEVSA-UHFFFAOYSA-N 0 1 236.363 2.278 20 0 BEADMN CCN(Cc1nnc(C)n1C)C1CCCCC1 ZINC000052559491 358785748 /nfs/dbraw/zinc/78/57/48/358785748.db2.gz HPMVEFIAEWEVSA-UHFFFAOYSA-N 0 1 236.363 2.278 20 0 BEADMN CC(C)CN(Cc1ncnn1C)CC(C)(C)C ZINC000134457814 358790737 /nfs/dbraw/zinc/79/07/37/358790737.db2.gz MOUDPWNVBUSOPS-UHFFFAOYSA-N 0 1 238.379 2.319 20 0 BEADMN C[C@H](NCCC(=O)NC(C)(C)C)c1ccco1 ZINC000134509268 358793708 /nfs/dbraw/zinc/79/37/08/358793708.db2.gz GVGMMIKDMGNMQS-JTQLQIEISA-N 0 1 238.331 2.235 20 0 BEADMN C[C@H](O)CNCc1cc(F)c(Cl)cc1F ZINC000578232671 366463292 /nfs/dbraw/zinc/46/32/92/366463292.db2.gz BXUWWUWIGCAKAL-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(CN)o1 ZINC000136143826 358865069 /nfs/dbraw/zinc/86/50/69/358865069.db2.gz KRPRJZVRBAVZKA-NXEZZACHSA-N 0 1 236.315 2.141 20 0 BEADMN C1CC12C[C@H]2c1noc(C23CCCN2CCC3)n1 ZINC000351295949 366492155 /nfs/dbraw/zinc/49/21/55/366492155.db2.gz FTQXLEOBSSQUQW-JTQLQIEISA-N 0 1 245.326 2.422 20 0 BEADMN Cn1ncnc1CN1CCC2(CCCCC2)CC1 ZINC000177101416 134295145 /nfs/dbraw/zinc/29/51/45/134295145.db2.gz NETQHLDIXNNNQH-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)CC1 ZINC000079348656 535437162 /nfs/dbraw/zinc/43/71/62/535437162.db2.gz JKPMTQYEBOUTLS-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN COC(=O)[C@H](N[C@H](C)C1CCCC1)C(C)C ZINC000054078177 358851231 /nfs/dbraw/zinc/85/12/31/358851231.db2.gz RTPNHRZNXABXIK-ZYHUDNBSSA-N 0 1 227.348 2.352 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000177367131 134297625 /nfs/dbraw/zinc/29/76/25/134297625.db2.gz YJWLYPOWHSWCFX-QWRGUYRKSA-N 0 1 249.358 2.238 20 0 BEADMN Cn1cc(CN2CC[C@]2(C)C2CCCCC2)nn1 ZINC000640219519 358888402 /nfs/dbraw/zinc/88/84/02/358888402.db2.gz LXZAPIWEZQKCSQ-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN CCC[C@H]1C[N@@H+](CCCF)CCN1CCCF ZINC000138105299 358903050 /nfs/dbraw/zinc/90/30/50/358903050.db2.gz VKUQQIDGSIVFND-ZDUSSCGKSA-N 0 1 248.361 2.492 20 0 BEADMN C[C@H](NCc1ccccc1)c1cnccn1 ZINC000070024409 359039011 /nfs/dbraw/zinc/03/90/11/359039011.db2.gz WKSIEWIBBMVFFW-NSHDSACASA-N 0 1 213.284 2.327 20 0 BEADMN CCCC[C@@H](CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000070076367 359040043 /nfs/dbraw/zinc/04/00/43/359040043.db2.gz FDPAVSWTZVVWIA-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](NC(=O)C(C)(Cl)Cl)C(F)(F)F ZINC000306189385 359005535 /nfs/dbraw/zinc/00/55/35/359005535.db2.gz DOVKIEHODXUOTI-GSVOUGTGSA-N 0 1 238.036 2.247 20 0 BEADMN CC[C@H](C(N)=O)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246425196 359079962 /nfs/dbraw/zinc/07/99/62/359079962.db2.gz KWBYRJLOGGOMNP-MRVWCRGKSA-N 0 1 246.354 2.128 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000246433677 359084613 /nfs/dbraw/zinc/08/46/13/359084613.db2.gz KMPNCDRDNBJAHZ-GHMZBOCLSA-N 0 1 215.337 2.304 20 0 BEADMN CC[C@@H](C)CN(C)[C@H](C)C(=O)OC(C)C ZINC000246433677 359084616 /nfs/dbraw/zinc/08/46/16/359084616.db2.gz KMPNCDRDNBJAHZ-GHMZBOCLSA-N 0 1 215.337 2.304 20 0 BEADMN C[C@H]1CCCCCN1CC(=O)c1cccn1C ZINC000070410659 359052251 /nfs/dbraw/zinc/05/22/51/359052251.db2.gz HSWLTRJAFGCWAN-LBPRGKRZSA-N 0 1 234.343 2.472 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000070499506 359057664 /nfs/dbraw/zinc/05/76/64/359057664.db2.gz OKDWBKDOQTYEQO-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1nccs1 ZINC000070732163 359062459 /nfs/dbraw/zinc/06/24/59/359062459.db2.gz QYHUWJZMUYBQAU-VHSXEESVSA-N 0 1 237.372 2.030 20 0 BEADMN c1csc(CN2CC[C@@H]3OCCC[C@H]3C2)n1 ZINC000246994459 359181425 /nfs/dbraw/zinc/18/14/25/359181425.db2.gz WPYHSIWLJKVIEE-QWRGUYRKSA-N 0 1 238.356 2.144 20 0 BEADMN C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cnccn1 ZINC000247011734 359184355 /nfs/dbraw/zinc/18/43/55/359184355.db2.gz LGLWFKYUECIZGH-CHWSQXEVSA-N 0 1 248.374 2.002 20 0 BEADMN CCC[C@@H]1CCCN([C@H](C)C(=O)OCC)C1 ZINC000246525371 359143482 /nfs/dbraw/zinc/14/34/82/359143482.db2.gz KWIXOENVOVNBMJ-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN COC[C@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000246729167 359159571 /nfs/dbraw/zinc/15/95/71/359159571.db2.gz MARLXVDCUZSFQT-DZGCQCFKSA-N 0 1 249.354 2.137 20 0 BEADMN CCC[C@@]1(C)CCCN([C@H](C)C(=O)OC)C1 ZINC000247535196 359231211 /nfs/dbraw/zinc/23/12/11/359231211.db2.gz OONNUUZYVNOFNX-YPMHNXCESA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000247737546 359243271 /nfs/dbraw/zinc/24/32/71/359243271.db2.gz VRPXKROZAPNDBK-KOLCDFICSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000247737546 359243272 /nfs/dbraw/zinc/24/32/72/359243272.db2.gz VRPXKROZAPNDBK-KOLCDFICSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1ncsc1CCN1CCO[C@@H](C)[C@H]1C ZINC000248200185 359259290 /nfs/dbraw/zinc/25/92/90/359259290.db2.gz YKKXAFSFAQUKBP-MNOVXSKESA-N 0 1 240.372 2.103 20 0 BEADMN CC[C@H](C)CN(C)[C@H](C)c1nnc(C)o1 ZINC000247400640 359218150 /nfs/dbraw/zinc/21/81/50/359218150.db2.gz BDZFKPMFKPZZSP-DTWKUNHWSA-N 0 1 211.309 2.417 20 0 BEADMN CCc1nc(C)c(CNC[C@H]2CCC=CO2)o1 ZINC000292835910 359301163 /nfs/dbraw/zinc/30/11/63/359301163.db2.gz RSVZHBZQSMEURO-LLVKDONJSA-N 0 1 236.315 2.328 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1CC[C@](C)(O)C1 ZINC000248324547 359263076 /nfs/dbraw/zinc/26/30/76/359263076.db2.gz ARLQZBNJPTYUQZ-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN CC1=CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640257917 359357284 /nfs/dbraw/zinc/35/72/84/359357284.db2.gz XXRHQDZZEZKPQN-UHFFFAOYSA-N 0 1 241.241 2.140 20 0 BEADMN O[C@H](CN1CC2(C1)CCCCC2)C(F)(F)F ZINC000231203356 359467751 /nfs/dbraw/zinc/46/77/51/359467751.db2.gz UFCHVNMWBGZLOR-SECBINFHSA-N 0 1 237.265 2.176 20 0 BEADMN C[C@@H](NCC1(C(F)F)CC1)c1ncc[nH]1 ZINC000308931209 491140592 /nfs/dbraw/zinc/14/05/92/491140592.db2.gz FKIFYONGBHNLIA-SSDOTTSWSA-N 0 1 215.247 2.106 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C(C)(C)C)nn2)[C@@H]1C ZINC000191436568 359567303 /nfs/dbraw/zinc/56/73/03/359567303.db2.gz ZUEFRCZRHPMRQX-GHMZBOCLSA-N 0 1 236.363 2.263 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000612016044 359600798 /nfs/dbraw/zinc/60/07/98/359600798.db2.gz MOPKUMGQORPSBA-SECBINFHSA-N 0 1 244.298 2.333 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@@H]1CCC[C@@H]1C ZINC000450852670 202290928 /nfs/dbraw/zinc/29/09/28/202290928.db2.gz ZRSLQGQIHQHGOA-WCQYABFASA-N 0 1 237.347 2.047 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC12CCC(CC1)C2 ZINC000450914449 202307741 /nfs/dbraw/zinc/30/77/41/202307741.db2.gz NWAWCCGOQOUSRM-XSRFYTQQSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)[C@H](C)N(C)CCC1=CCCCC1 ZINC000450918365 202308580 /nfs/dbraw/zinc/30/85/80/202308580.db2.gz VLCUGQBBLVVOBE-NSHDSACASA-N 0 1 225.332 2.370 20 0 BEADMN C[C@@H](NCc1nccs1)[C@H]1CCCCO1 ZINC000309095725 491144749 /nfs/dbraw/zinc/14/47/49/491144749.db2.gz CSTLFKUIPTWEIB-NXEZZACHSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000578451757 366572140 /nfs/dbraw/zinc/57/21/40/366572140.db2.gz NZZHBAMEQPJDBZ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](O)CCCN[C@@H](C)c1c(F)cncc1F ZINC000450993559 202329628 /nfs/dbraw/zinc/32/96/28/202329628.db2.gz WAVNGZAOUNEAGZ-IUCAKERBSA-N 0 1 244.285 2.171 20 0 BEADMN Cc1ccc(F)c(CN(C)C2(CO)CC2)c1 ZINC000450997313 202332332 /nfs/dbraw/zinc/33/23/32/202332332.db2.gz WYMUGJYRFFZFBP-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@]1(F)CCCN(CCO[C@H]2CCCCO2)C1 ZINC000451115251 202354322 /nfs/dbraw/zinc/35/43/22/202354322.db2.gz NUFXRZKITVAZMW-QWHCGFSZSA-N 0 1 245.338 2.354 20 0 BEADMN CCCN(CC(N)=O)C[C@@H]1CCCCC1(F)F ZINC000451069165 202345914 /nfs/dbraw/zinc/34/59/14/202345914.db2.gz SJWUYSAHJVDHRT-JTQLQIEISA-N 0 1 248.317 2.009 20 0 BEADMN CCCN(CC(N)=O)C[C@H]1CCCCC1(F)F ZINC000451069167 202346689 /nfs/dbraw/zinc/34/66/89/202346689.db2.gz SJWUYSAHJVDHRT-SNVBAGLBSA-N 0 1 248.317 2.009 20 0 BEADMN CC[C@H](CO)N(C)Cc1oc(C(C)C)nc1C ZINC000451159453 202367137 /nfs/dbraw/zinc/36/71/37/202367137.db2.gz QQNQSOGEXPYXLM-LLVKDONJSA-N 0 1 240.347 2.309 20 0 BEADMN CC(C)N(CCN(C)c1ccccc1)C1COC1 ZINC000451119377 202357789 /nfs/dbraw/zinc/35/77/89/202357789.db2.gz DCXGQODDWLPONI-UHFFFAOYSA-N 0 1 248.370 2.232 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CC[C@@H](C)C1 ZINC000040718149 359909916 /nfs/dbraw/zinc/90/99/16/359909916.db2.gz MDOVMIGRAWEMEZ-MRVPVSSYSA-N 0 1 227.739 2.224 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000613995361 363697136 /nfs/dbraw/zinc/69/71/36/363697136.db2.gz ZAWZLNWPVAVFCZ-SNVBAGLBSA-N 0 1 249.358 2.067 20 0 BEADMN COc1ncc(CNCC2(F)CC2)cc1Cl ZINC000578593845 366602775 /nfs/dbraw/zinc/60/27/75/366602775.db2.gz SFVXNZNVSQGDLD-UHFFFAOYSA-N 0 1 244.697 2.335 20 0 BEADMN Cc1cncc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000088451995 359954485 /nfs/dbraw/zinc/95/44/85/359954485.db2.gz BYSCVULFEIXIFU-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000578905797 366672682 /nfs/dbraw/zinc/67/26/82/366672682.db2.gz JNGCDLKDAVEXAB-BXUZGUMPSA-N 0 1 249.358 2.237 20 0 BEADMN O=C(NCc1cnc[nH]1)c1cc2ccccc2o1 ZINC000088759343 359977669 /nfs/dbraw/zinc/97/76/69/359977669.db2.gz HYOFNMUVPNEQET-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN c1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089152871 359995816 /nfs/dbraw/zinc/99/58/16/359995816.db2.gz PIWZWOBRGFXGBQ-GJZGRUSLSA-N 0 1 247.338 2.066 20 0 BEADMN COC[C@@H](NCc1nc(C)sc1C)C1CC1 ZINC000090888561 360093803 /nfs/dbraw/zinc/09/38/03/360093803.db2.gz NSILPDDSEQPFBH-GFCCVEGCSA-N 0 1 240.372 2.275 20 0 BEADMN CCCCc1cc(N[C@H](C)c2nnc[nH]2)ncn1 ZINC000631188716 360132095 /nfs/dbraw/zinc/13/20/95/360132095.db2.gz SIDQVWRWPKCLGC-SECBINFHSA-N 0 1 246.318 2.110 20 0 BEADMN Cc1ncccc1CN(C)C[C@H]1CCCCO1 ZINC000092428707 360171687 /nfs/dbraw/zinc/17/16/87/360171687.db2.gz JFNVDECMUWYVPE-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1[nH]ncc1CNc1ccc2c(c1)COC2 ZINC000092854648 360203996 /nfs/dbraw/zinc/20/39/96/360203996.db2.gz YCASIYNUYSXBFN-UHFFFAOYSA-N 0 1 229.283 2.360 20 0 BEADMN CCC[C@]1(C)CCCN(Cc2cnnn2C)C1 ZINC000093509028 360252634 /nfs/dbraw/zinc/25/26/34/360252634.db2.gz XWBPFELUEJSSAF-CYBMUJFWSA-N 0 1 236.363 2.217 20 0 BEADMN CCCCCc1cc(C(=O)N2CC(C)C2)n[nH]1 ZINC000614024941 363708187 /nfs/dbraw/zinc/70/81/87/363708187.db2.gz CUVQYJHVJUWHSV-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN CCCO[C@H]1CCCN(Cc2cc[nH]n2)CC1 ZINC000093317747 360230328 /nfs/dbraw/zinc/23/03/28/360230328.db2.gz YUTIGYWFGFBISD-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN NC(=O)c1csc(CNCc2ccccc2)c1 ZINC000093684843 360269573 /nfs/dbraw/zinc/26/95/73/360269573.db2.gz IECTUSRWWYNMOW-UHFFFAOYSA-N 0 1 246.335 2.137 20 0 BEADMN CO[C@@]1(C)C[C@H]([N@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871783 360286309 /nfs/dbraw/zinc/28/63/09/360286309.db2.gz VTFHTTNGKASDAO-AAEUAGOBSA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871783 360286310 /nfs/dbraw/zinc/28/63/10/360286310.db2.gz VTFHTTNGKASDAO-AAEUAGOBSA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@@]1(C)C[C@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093871783 360286312 /nfs/dbraw/zinc/28/63/12/360286312.db2.gz VTFHTTNGKASDAO-AAEUAGOBSA-N 0 1 237.347 2.045 20 0 BEADMN CCOc1cncc(CNCC(C)(C)F)c1 ZINC000631188945 360335911 /nfs/dbraw/zinc/33/59/11/360335911.db2.gz MFWCOBYWOHFVAY-UHFFFAOYSA-N 0 1 226.295 2.318 20 0 BEADMN C[C@H]1CCCN(C(=O)c2ccc(CN)o2)CC1 ZINC000094571979 360312479 /nfs/dbraw/zinc/31/24/79/360312479.db2.gz REZNSLWIXWTIKF-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN CC1(C)CCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000094573394 360312630 /nfs/dbraw/zinc/31/26/30/360312630.db2.gz JTFNBRSYBJCCRL-NSHDSACASA-N 0 1 236.315 2.047 20 0 BEADMN Cn1ncc(C2CC2)c1CNCC(C)(C)F ZINC000631189230 360373270 /nfs/dbraw/zinc/37/32/70/360373270.db2.gz PWWROWTZYCZRTR-UHFFFAOYSA-N 0 1 225.311 2.135 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000097903991 360382297 /nfs/dbraw/zinc/38/22/97/360382297.db2.gz LQAZSJWDALGDNP-LLVKDONJSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1cccc2nc(CNC(=O)CCCF)[nH]c21 ZINC000613143831 360444673 /nfs/dbraw/zinc/44/46/73/360444673.db2.gz IRGWGHPLIXPFIC-UHFFFAOYSA-N 0 1 249.289 2.237 20 0 BEADMN CS[C@@H]1CCCC[C@H]1NCc1csnn1 ZINC000224854710 363737588 /nfs/dbraw/zinc/73/75/88/363737588.db2.gz OUOQMUZZUPUUBG-NXEZZACHSA-N 0 1 243.401 2.302 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cnccn1 ZINC000187653438 259518837 /nfs/dbraw/zinc/51/88/37/259518837.db2.gz KALYUNOXHOFKNU-MNOVXSKESA-N 0 1 235.331 2.085 20 0 BEADMN CCC[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000138333478 360572221 /nfs/dbraw/zinc/57/22/21/360572221.db2.gz OKMYDEXCFZBWHT-SNVBAGLBSA-N 0 1 245.326 2.410 20 0 BEADMN CCc1ncc(C[N@@H+](C)[C@H](CC)C(=O)[O-])s1 ZINC000309535941 491150374 /nfs/dbraw/zinc/15/03/74/491150374.db2.gz CSCPZECYHDIURS-SECBINFHSA-N 0 1 242.344 2.001 20 0 BEADMN CCc1ncc(C[N@H+](C)[C@H](CC)C(=O)[O-])s1 ZINC000309535941 491150375 /nfs/dbraw/zinc/15/03/75/491150375.db2.gz CSCPZECYHDIURS-SECBINFHSA-N 0 1 242.344 2.001 20 0 BEADMN C[N@@H+](CCNC(=O)CCC1CCCC1)C1CC1 ZINC000063117959 360740232 /nfs/dbraw/zinc/74/02/32/360740232.db2.gz YLRDFFIRMYAIEW-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](NC(=O)CN(C)C)c1cc(C)ccc1C ZINC000629109831 360880980 /nfs/dbraw/zinc/88/09/80/360880980.db2.gz MJGDTMDOMRHRHB-CQSZACIVSA-N 0 1 248.370 2.432 20 0 BEADMN CCc1nnc(S[C@H](C)C2CCOCC2)[nH]1 ZINC000629111324 360881341 /nfs/dbraw/zinc/88/13/41/360881341.db2.gz IWLULHIJMNFQHV-MRVPVSSYSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(S[C@H](C)C2CCOCC2)n1 ZINC000629111324 360881346 /nfs/dbraw/zinc/88/13/46/360881346.db2.gz IWLULHIJMNFQHV-MRVPVSSYSA-N 0 1 241.360 2.274 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000629360425 361008583 /nfs/dbraw/zinc/00/85/83/361008583.db2.gz RHSLOVGWIXCTIC-BNOWGMLFSA-N 0 1 247.338 2.270 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629361145 361009816 /nfs/dbraw/zinc/00/98/16/361009816.db2.gz FDDXTNVFAOOCHE-HHHUOAJASA-N 0 1 225.332 2.216 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000629361202 361009822 /nfs/dbraw/zinc/00/98/22/361009822.db2.gz ALUCNFNAFDKEDR-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629361144 361010080 /nfs/dbraw/zinc/01/00/80/361010080.db2.gz FDDXTNVFAOOCHE-CSYMLDBXSA-N 0 1 225.332 2.216 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCC1CCC1 ZINC000629365803 361020040 /nfs/dbraw/zinc/02/00/40/361020040.db2.gz GIDBGSOCPVQWCM-ZDUSSCGKSA-N 0 1 249.310 2.454 20 0 BEADMN Cc1ccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cc1F ZINC000629365466 361020264 /nfs/dbraw/zinc/02/02/64/361020264.db2.gz WVSBMJNAADXJET-UHFFFAOYSA-N 0 1 249.285 2.183 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC2)[C@@H]2CCC[C@H]21 ZINC000629372939 361022459 /nfs/dbraw/zinc/02/24/59/361022459.db2.gz FOPLBHQVTBJGNQ-YNEHKIRRSA-N 0 1 237.343 2.362 20 0 BEADMN CCCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629373983 361023454 /nfs/dbraw/zinc/02/34/54/361023454.db2.gz RLRZTCYMVDUBPP-SRVKXCTJSA-N 0 1 225.332 2.362 20 0 BEADMN C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000629375578 361025266 /nfs/dbraw/zinc/02/52/66/361025266.db2.gz JJZGWUUDQGQKDH-MJKAUQOVSA-N 0 1 211.305 2.138 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCCC2(CC2)CC1 ZINC000629377681 361026640 /nfs/dbraw/zinc/02/66/40/361026640.db2.gz KYQWZOXHNQKGSV-NSHDSACASA-N 0 1 223.316 2.116 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCCC2(CC2)CC1 ZINC000629378512 361027876 /nfs/dbraw/zinc/02/78/76/361027876.db2.gz QNAQTIHFFLGLCO-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1nnc([C@H](C)N[C@H](C)CCCCO)s1 ZINC000309658958 491153831 /nfs/dbraw/zinc/15/38/31/491153831.db2.gz BBPXWTIEIGCKEJ-BDAKNGLRSA-N 0 1 243.376 2.048 20 0 BEADMN CCc1noc([C@@H](C)N(C)CC(C)C)n1 ZINC000065961797 361083647 /nfs/dbraw/zinc/08/36/47/361083647.db2.gz PUNMGQKAXNFNSH-SECBINFHSA-N 0 1 211.309 2.281 20 0 BEADMN C[C@@H](CN(C)[C@H](C)c1nncn1C)C(C)(C)C ZINC000640347912 361068167 /nfs/dbraw/zinc/06/81/67/361068167.db2.gz LSGXNODBOAJWQA-WDEREUQCSA-N 0 1 238.379 2.490 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000065962693 361084600 /nfs/dbraw/zinc/08/46/00/361084600.db2.gz SCULVCBZLYFWCK-UHFFFAOYSA-N 0 1 234.343 2.237 20 0 BEADMN CC(C)CN(C)CC(=O)N(C)c1ccccc1 ZINC000065962693 361084604 /nfs/dbraw/zinc/08/46/04/361084604.db2.gz SCULVCBZLYFWCK-UHFFFAOYSA-N 0 1 234.343 2.237 20 0 BEADMN CC[N@@H+](Cc1ccc(C)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000629490082 361094456 /nfs/dbraw/zinc/09/44/56/361094456.db2.gz OMUSMSSRIYNAMB-JTQLQIEISA-N 0 1 239.290 2.429 20 0 BEADMN Cc1cccc(CCNCc2nccs2)n1 ZINC000309701504 491154371 /nfs/dbraw/zinc/15/43/71/491154371.db2.gz MTOHCNGJMAVPPQ-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN O=C(CCC1CC1)Nc1cccc2[nH]nnc21 ZINC000640380157 361190160 /nfs/dbraw/zinc/19/01/60/361190160.db2.gz OPRUWJYVENFFRP-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN CC1(C)CC[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640379113 361191090 /nfs/dbraw/zinc/19/10/90/361191090.db2.gz JPAMGMBITWKUSO-QMMMGPOBSA-N 0 1 244.298 2.333 20 0 BEADMN Cc1nnsc1CN1CCCC[C@@H]1C ZINC000579070144 366702188 /nfs/dbraw/zinc/70/21/88/366702188.db2.gz YIUOCQDTSOQUCG-QMMMGPOBSA-N 0 1 211.334 2.221 20 0 BEADMN CC1(C)CN(CC2(F)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000579180830 366723394 /nfs/dbraw/zinc/72/33/94/366723394.db2.gz FAABICHLVAARMX-WDEREUQCSA-N 0 1 227.323 2.378 20 0 BEADMN CC1(C)CN(CC2(F)CC2)[C@H]1[C@H]1CCCO1 ZINC000579180828 366723682 /nfs/dbraw/zinc/72/36/82/366723682.db2.gz FAABICHLVAARMX-MNOVXSKESA-N 0 1 227.323 2.378 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000579025921 366698870 /nfs/dbraw/zinc/69/88/70/366698870.db2.gz MZGDSKNYMWMLQY-OIRVYTLQSA-N 0 1 237.343 2.218 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1ccc(F)cc1 ZINC000428387281 201012628 /nfs/dbraw/zinc/01/26/28/201012628.db2.gz KAKNYRRXLGAPLY-UHFFFAOYSA-N 0 1 234.278 2.279 20 0 BEADMN CCN(C[C@H]1CCCO1)[C@H](C)c1cnc(C)cn1 ZINC000428414213 201014106 /nfs/dbraw/zinc/01/41/06/201014106.db2.gz OMRHGEQTECTRJH-CHWSQXEVSA-N 0 1 249.358 2.347 20 0 BEADMN CCN(Cc1cn2ccsc2n1)C1CC1 ZINC000171077107 361319981 /nfs/dbraw/zinc/31/99/81/361319981.db2.gz HWYUEXYBWADMFU-UHFFFAOYSA-N 0 1 221.329 2.380 20 0 BEADMN CCC(CC)CN(CC)Cc1nnc(C)[nH]1 ZINC000428476871 201025000 /nfs/dbraw/zinc/02/50/00/201025000.db2.gz YUYGRBAAULLWKJ-UHFFFAOYSA-N 0 1 224.352 2.371 20 0 BEADMN Cc1ccc(F)c(CN[C@H](CO)CC(F)F)c1 ZINC000428644532 201030191 /nfs/dbraw/zinc/03/01/91/201030191.db2.gz VTIXPJGGUBNLFN-JTQLQIEISA-N 0 1 247.260 2.240 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(F)c(F)c2)[nH]1 ZINC000614186559 363748502 /nfs/dbraw/zinc/74/85/02/363748502.db2.gz CGMFZOBWTABQDC-UHFFFAOYSA-N 0 1 238.237 2.463 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccncc2)c1=O ZINC000614190474 363751347 /nfs/dbraw/zinc/75/13/47/363751347.db2.gz WTLZIWBVCYDQST-NSHDSACASA-N 0 1 217.272 2.220 20 0 BEADMN CC[C@@H](C)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640608258 361329753 /nfs/dbraw/zinc/32/97/53/361329753.db2.gz OQXMEEYBDNEKET-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCN1[C@H](C)CN(C(=O)[C@@H](C)C(C)C)C[C@@H]1C ZINC000640615822 361332283 /nfs/dbraw/zinc/33/22/83/361332283.db2.gz BIBRJDHSCHDHOL-XQQFMLRXSA-N 0 1 240.391 2.220 20 0 BEADMN CCc1noc(C[N@H+](CC)[C@@H](C)C(C)C)n1 ZINC000067661067 370692148 /nfs/dbraw/zinc/69/21/48/370692148.db2.gz MNRWZQLSXNEAHD-JTQLQIEISA-N 0 1 225.336 2.498 20 0 BEADMN CCc1noc(CN(CC)[C@@H](C)C(C)C)n1 ZINC000067661067 370692152 /nfs/dbraw/zinc/69/21/52/370692152.db2.gz MNRWZQLSXNEAHD-JTQLQIEISA-N 0 1 225.336 2.498 20 0 BEADMN CCc1nc(C)c(CN(C)C[C@H](C)OC)o1 ZINC000428958932 201051754 /nfs/dbraw/zinc/05/17/54/201051754.db2.gz FISVMCXYHFSELI-VIFPVBQESA-N 0 1 226.320 2.012 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NCc2cocn2)CCO1 ZINC000428867072 201046646 /nfs/dbraw/zinc/04/66/46/201046646.db2.gz ZYVAFNVNCGYLIY-CMPLNLGQSA-N 0 1 238.331 2.358 20 0 BEADMN Cc1nc(CNC2(C(F)F)CCCCC2)n[nH]1 ZINC000428958900 201053678 /nfs/dbraw/zinc/05/36/78/201053678.db2.gz FCGOJOLLKDFAMO-UHFFFAOYSA-N 0 1 244.289 2.171 20 0 BEADMN CCCCN(CC)C(=O)CN1CC[C@@H]1CC ZINC000429281092 201091906 /nfs/dbraw/zinc/09/19/06/201091906.db2.gz UAWRERPRXZOABZ-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN C[C@H](N[C@H](CO)CC(F)F)c1ccccc1F ZINC000429463953 201110162 /nfs/dbraw/zinc/11/01/62/201110162.db2.gz IEYNZNZDGHGKJE-IUCAKERBSA-N 0 1 247.260 2.492 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@H](CSC)C1 ZINC000429290962 201095094 /nfs/dbraw/zinc/09/50/94/201095094.db2.gz HCRLDJQQGGDFFB-QWRGUYRKSA-N 0 1 245.388 2.013 20 0 BEADMN C[C@H]1CC[C@H](N(C)CC(=O)c2cccn2C)C1 ZINC000429560870 201115366 /nfs/dbraw/zinc/11/53/66/201115366.db2.gz OQMYARFVSGDCSI-RYUDHWBXSA-N 0 1 234.343 2.328 20 0 BEADMN CC/C=C\CCN1CC[C@H](C)[S@](=O)CC1 ZINC000429568373 201116024 /nfs/dbraw/zinc/11/60/24/201116024.db2.gz NWTPYFRRGLJROH-WBBZJUAJSA-N 0 1 229.389 2.186 20 0 BEADMN CC(C)CCCN1CC[C@H](C)[S@@](=O)CC1 ZINC000429591929 201120440 /nfs/dbraw/zinc/12/04/40/201120440.db2.gz SFPCSALEVRWCEB-WFASDCNBSA-N 0 1 231.405 2.266 20 0 BEADMN CN(Cc1cnccn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000429702333 201126179 /nfs/dbraw/zinc/12/61/79/201126179.db2.gz YUAYVXIEAYJZAK-LSDHHAIUSA-N 0 1 239.322 2.465 20 0 BEADMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H]1CC1(C)C ZINC000433188113 201166233 /nfs/dbraw/zinc/16/62/33/201166233.db2.gz LGFXOFKXVQSCDT-SECBINFHSA-N 0 1 236.363 2.333 20 0 BEADMN CC1(C)[C@H](NCc2ccc(Cl)o2)C[C@@H]1O ZINC000163439317 361480307 /nfs/dbraw/zinc/48/03/07/361480307.db2.gz ZJYROHLLIZMXHW-BDAKNGLRSA-N 0 1 229.707 2.182 20 0 BEADMN NC1(c2noc([C@@H]3CCCS3)n2)CCCC1 ZINC000070004867 181336734 /nfs/dbraw/zinc/33/67/34/181336734.db2.gz FIWPUZKXDXXURW-QMMMGPOBSA-N 0 1 239.344 2.366 20 0 BEADMN NC1(c2noc(-c3ccccn3)n2)CCCCC1 ZINC000041153345 181336738 /nfs/dbraw/zinc/33/67/38/181336738.db2.gz XXXSHVKFUKVVPO-UHFFFAOYSA-N 0 1 244.298 2.250 20 0 BEADMN CS[C@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000448545702 201199287 /nfs/dbraw/zinc/19/92/87/201199287.db2.gz JXLLQBBSMOABSY-NSHDSACASA-N 0 1 240.372 2.271 20 0 BEADMN CCc1noc(C)c1CN(C)CCSC ZINC000152534640 201202788 /nfs/dbraw/zinc/20/27/88/201202788.db2.gz XMFNOYOCLKYSSC-UHFFFAOYSA-N 0 1 228.361 2.340 20 0 BEADMN COCc1ccc(CNCc2cccc(N)c2)o1 ZINC000629650607 361547971 /nfs/dbraw/zinc/54/79/71/361547971.db2.gz YBSOKNLSFCDDNG-UHFFFAOYSA-N 0 1 246.310 2.298 20 0 BEADMN CC(C)c1nocc1-c1nc([C@H]2CCCN2)no1 ZINC000629675440 361598487 /nfs/dbraw/zinc/59/84/87/361598487.db2.gz SOXBOTBUMJJJCV-SECBINFHSA-N 0 1 248.286 2.273 20 0 BEADMN c1cc(-c2ccc([C@@H]3COCCN3)cc2)ccn1 ZINC000629690077 361625305 /nfs/dbraw/zinc/62/53/05/361625305.db2.gz FNVDNQAHVNMDQN-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN CN(Cc1nc2ccccc2n1C)CC1CC1 ZINC000154919354 201297737 /nfs/dbraw/zinc/29/77/37/201297737.db2.gz STCRZDYECVUULR-UHFFFAOYSA-N 0 1 229.327 2.415 20 0 BEADMN Cc1nc(-c2cc(C(F)(F)F)n[nH]2)c[nH]1 ZINC000629730435 361670140 /nfs/dbraw/zinc/67/01/40/361670140.db2.gz YEBHVBQSORNTJJ-UHFFFAOYSA-N 0 1 216.166 2.127 20 0 BEADMN CCN1C[C@H](C)N(c2ncc(C)s2)C[C@@H]1C ZINC000436414515 201325187 /nfs/dbraw/zinc/32/51/87/201325187.db2.gz WCIZCCKBGZSQLA-UWVGGRQHSA-N 0 1 239.388 2.370 20 0 BEADMN CC[C@@H](NCc1snnc1C)c1ccncc1 ZINC000436471171 201329266 /nfs/dbraw/zinc/32/92/66/201329266.db2.gz LABYELHRIPFIKJ-LLVKDONJSA-N 0 1 248.355 2.482 20 0 BEADMN COc1cc(CNCc2ccc(C)nc2)ccn1 ZINC000155392441 201330408 /nfs/dbraw/zinc/33/04/08/201330408.db2.gz KUUHTCUAYIEUIA-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC=C(C)C1 ZINC000436259752 201315925 /nfs/dbraw/zinc/31/59/25/201315925.db2.gz KCOWSRXVRRXUTI-STQMWFEESA-N 0 1 238.375 2.332 20 0 BEADMN O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1O ZINC000436777086 201335798 /nfs/dbraw/zinc/33/57/98/201335798.db2.gz XSFJCQPMBKHXHK-VHSXEESVSA-N 0 1 241.237 2.152 20 0 BEADMN FCCNCc1ccc(Oc2cnccn2)cc1 ZINC000437238085 201348200 /nfs/dbraw/zinc/34/82/00/201348200.db2.gz FOPZMUXUONLSJS-UHFFFAOYSA-N 0 1 247.273 2.328 20 0 BEADMN CCCN1CCN(C(=O)C2=C(C)CCC2)CC1 ZINC000437210509 201348516 /nfs/dbraw/zinc/34/85/16/201348516.db2.gz RATZGYSWRMAZMC-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN NCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000002788493 181348480 /nfs/dbraw/zinc/34/84/80/181348480.db2.gz OQDYCDLUUGXGQH-UHFFFAOYSA-N 0 1 240.306 2.179 20 0 BEADMN CCc1nc(CNC[C@@H]2CC[C@@H](C)O2)cs1 ZINC000328221801 363858885 /nfs/dbraw/zinc/85/88/85/363858885.db2.gz LSNGJQQZUUAENB-KOLCDFICSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)Cc2ncccn2)C1 ZINC000191942483 363886103 /nfs/dbraw/zinc/88/61/03/363886103.db2.gz AVBICNHAMVJDEO-NWDGAFQWSA-N 0 1 219.332 2.487 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000348331809 541305494 /nfs/dbraw/zinc/30/54/94/541305494.db2.gz KNAWBYFWVMSEFT-NWDGAFQWSA-N 0 1 248.374 2.311 20 0 BEADMN CCCCOCCN(C)Cc1cnn(CC)c1 ZINC000073167507 363984417 /nfs/dbraw/zinc/98/44/17/363984417.db2.gz AVKXEHONGABGFC-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN Cc1cc(CN[C@@H](CO)C2CCCCC2)no1 ZINC000541983735 364057069 /nfs/dbraw/zinc/05/70/69/364057069.db2.gz RZKINMZWKAOKHN-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN c1ccc2c(c1)C[N@@H+](C[C@H]1CCCCO1)CCO2 ZINC000079943612 370706233 /nfs/dbraw/zinc/70/62/33/370706233.db2.gz DVEPIQQCHODDRW-CQSZACIVSA-N 0 1 247.338 2.450 20 0 BEADMN c1ccc2c(c1)CN(C[C@H]1CCCCO1)CCO2 ZINC000079943612 370706235 /nfs/dbraw/zinc/70/62/35/370706235.db2.gz DVEPIQQCHODDRW-CQSZACIVSA-N 0 1 247.338 2.450 20 0 BEADMN CN(C)CC(=O)NCCCCCc1ccccc1 ZINC000170775613 364183194 /nfs/dbraw/zinc/18/31/94/364183194.db2.gz WZVLGQRCGICDIU-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2ccccc2F)nn1 ZINC000630614214 364346114 /nfs/dbraw/zinc/34/61/14/364346114.db2.gz QLGDAWJCECNCAI-VHSXEESVSA-N 0 1 248.305 2.307 20 0 BEADMN CC[N@@H+](CCO)Cc1ccc(Cl)c(C)c1 ZINC000134733035 364413307 /nfs/dbraw/zinc/41/33/07/364413307.db2.gz OFFLYJBOODRGGW-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN Cc1ccc(CC[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000579494471 366833475 /nfs/dbraw/zinc/83/34/75/366833475.db2.gz PMFCTEIBRDWLLT-UHFFFAOYSA-N 0 1 247.338 2.477 20 0 BEADMN CCCN(CC)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630707654 364478409 /nfs/dbraw/zinc/47/84/09/364478409.db2.gz CTEUVIYUBBPJQO-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN CC(C)CN(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630707924 364479415 /nfs/dbraw/zinc/47/94/15/364479415.db2.gz PEDVUIQSODMMAR-UHFFFAOYSA-N 0 1 249.236 2.157 20 0 BEADMN CC[C@H](C)CN(C)[C@@H](C)c1nc(COC)no1 ZINC000181867067 366852978 /nfs/dbraw/zinc/85/29/78/366852978.db2.gz DNKAUORASMUTLL-UWVGGRQHSA-N 0 1 241.335 2.255 20 0 BEADMN CCC(=O)CCCN1CC2(CCC2)OC[C@@H]1C ZINC000661463352 541362866 /nfs/dbraw/zinc/36/28/66/541362866.db2.gz PMVYXFZMNMSPDQ-LBPRGKRZSA-N 0 1 239.359 2.389 20 0 BEADMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CC(C)C1 ZINC000552811518 325665719 /nfs/dbraw/zinc/66/57/19/325665719.db2.gz IMGFXVLTNGEQOQ-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cncc(CN[C@H](C)c2cncnc2C)c1 ZINC000580725935 366857881 /nfs/dbraw/zinc/85/78/81/366857881.db2.gz YMLTUYCQXSLWME-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nc(COC)no2)C1 ZINC000181986821 366859283 /nfs/dbraw/zinc/85/92/83/366859283.db2.gz HFJRHGHJPJLDNW-VHSXEESVSA-N 0 1 239.319 2.009 20 0 BEADMN CCCn1nc(C)c(CN2CC(C)C2)c1C ZINC000438859124 201420485 /nfs/dbraw/zinc/42/04/85/201420485.db2.gz PTHFXUDRFMBYQJ-UHFFFAOYSA-N 0 1 221.348 2.362 20 0 BEADMN CC(C)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250604315 364657720 /nfs/dbraw/zinc/65/77/20/364657720.db2.gz UXFXVRNWLKUICM-TUAOUCFPSA-N 0 1 225.332 2.360 20 0 BEADMN CCc1nc(CNCC[C@H](C)OC)cs1 ZINC000263828157 364718601 /nfs/dbraw/zinc/71/86/01/364718601.db2.gz TWHXHSRXHWYRPR-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN C[C@H](O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000573318530 364797068 /nfs/dbraw/zinc/79/70/68/364797068.db2.gz WUZDDULTZQRCPL-JSGCOSHPSA-N 0 1 237.318 2.328 20 0 BEADMN CCc1nc(CN[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000274667461 364757923 /nfs/dbraw/zinc/75/79/23/364757923.db2.gz RKWMPOSSBDQNBK-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CCc1nc(CNCCC(C)(C)CO)cs1 ZINC000294765648 364776939 /nfs/dbraw/zinc/77/69/39/364776939.db2.gz JQCAWXHUZWNELP-UHFFFAOYSA-N 0 1 242.388 2.204 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573542137 364856652 /nfs/dbraw/zinc/85/66/52/364856652.db2.gz WDPYJVYABOLPQU-USWWRNFRSA-N 0 1 247.342 2.023 20 0 BEADMN CCc1nc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc(C)[nH+]1 ZINC000328342447 364829394 /nfs/dbraw/zinc/82/93/94/364829394.db2.gz CGQSAFPWHOCNCP-VHSXEESVSA-N 0 1 249.314 2.013 20 0 BEADMN CC(C)(C)OCCNCc1ccncc1F ZINC000573653046 364882916 /nfs/dbraw/zinc/88/29/16/364882916.db2.gz DQQRQDKAMMMFHS-UHFFFAOYSA-N 0 1 226.295 2.125 20 0 BEADMN CCC1CCN([C@H](C)c2nccc(N)n2)CC1 ZINC000573574148 364866026 /nfs/dbraw/zinc/86/60/26/364866026.db2.gz LXIDANBKBWBYMO-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN CC[C@H](O)CCCNc1ncc(Cl)s1 ZINC000389347885 541402312 /nfs/dbraw/zinc/40/23/12/541402312.db2.gz MRZBWILVIPEGHD-ZETCQYMHSA-N 0 1 234.752 2.181 20 0 BEADMN C[C@@H]1C[C@H](NCc2noc3ccccc32)[C@H](C)O1 ZINC000574464443 365069228 /nfs/dbraw/zinc/06/92/28/365069228.db2.gz JHEMAIOBXOTSLF-SCVCMEIPSA-N 0 1 246.310 2.483 20 0 BEADMN Cc1nnsc1CN(C)CC(C)(C)C ZINC000574523132 365082553 /nfs/dbraw/zinc/08/25/53/365082553.db2.gz KSABHBTZMYDYMJ-UHFFFAOYSA-N 0 1 213.350 2.324 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC1CC(C)C1 ZINC000622240255 370790395 /nfs/dbraw/zinc/79/03/95/370790395.db2.gz IIPBNRZGXHRCLO-BPCQOVAHSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(NC[C@H]1CC12CC2)c1cccc2nc[nH]c21 ZINC000575024324 365173133 /nfs/dbraw/zinc/17/31/33/365173133.db2.gz KROIBJWNVBHVAW-SECBINFHSA-N 0 1 241.294 2.093 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCCC[C@H]1C ZINC000574769073 365140846 /nfs/dbraw/zinc/14/08/46/365140846.db2.gz RTLZOXVDPJGNCS-NWDGAFQWSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCCC[C@@H]1C ZINC000574769072 365141862 /nfs/dbraw/zinc/14/18/62/365141862.db2.gz RTLZOXVDPJGNCS-NEPJUHHUSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1ncc(CNCc2ccc(C)c(F)c2)n1C ZINC000575138743 365219752 /nfs/dbraw/zinc/21/97/52/365219752.db2.gz LERZYYUDIVBJBA-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000575131138 365215553 /nfs/dbraw/zinc/21/55/53/365215553.db2.gz VKPCTZPJWIAVBT-CYBMUJFWSA-N 0 1 249.285 2.047 20 0 BEADMN Clc1cnccc1CNCC1=CCCOC1 ZINC000379799813 365274440 /nfs/dbraw/zinc/27/44/40/365274440.db2.gz MFWGHRWBXWWXJB-UHFFFAOYSA-N 0 1 238.718 2.171 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1 ZINC000622272731 370813160 /nfs/dbraw/zinc/81/31/60/370813160.db2.gz FUBOQGWTALNTDY-JTQLQIEISA-N 0 1 229.283 2.227 20 0 BEADMN CC[C@@H]1CCCN(Cc2ncccn2)CC1 ZINC000192030291 365270751 /nfs/dbraw/zinc/27/07/51/365270751.db2.gz UMIZHDJVNRGJAB-GFCCVEGCSA-N 0 1 219.332 2.489 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C/C1CCCCC1 ZINC000172112404 365293700 /nfs/dbraw/zinc/29/37/00/365293700.db2.gz JPDPEQPYZSZOED-BQYQJAHWSA-N 0 1 247.342 2.471 20 0 BEADMN CC[C@@H](C)N(C)Cc1nc(-c2cccnc2)no1 ZINC000172160195 365296864 /nfs/dbraw/zinc/29/68/64/365296864.db2.gz WQJADGKOBUKGJJ-SNVBAGLBSA-N 0 1 246.314 2.362 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cc(F)cc(F)c1 ZINC000335919672 365303539 /nfs/dbraw/zinc/30/35/39/365303539.db2.gz LFAWNEIOTBAQGQ-LBPRGKRZSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)C[N@@H+](CCC(C)(F)F)CC(=O)[O-] ZINC000575412680 365313544 /nfs/dbraw/zinc/31/35/44/365313544.db2.gz JEXUOGOCULJGQN-UHFFFAOYSA-N 0 1 223.263 2.074 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000172357089 365315272 /nfs/dbraw/zinc/31/52/72/365315272.db2.gz VIZVWLAQGFUDGE-ZETCQYMHSA-N 0 1 241.674 2.021 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1noc2ccccc21 ZINC000575761512 365356666 /nfs/dbraw/zinc/35/66/66/365356666.db2.gz CWHORRUIRVLIQY-MWLCHTKSSA-N 0 1 232.283 2.095 20 0 BEADMN CO[C@H]1C[C@H]2C[C@H](NCC(C)(F)F)C[C@H]2C1 ZINC000579581259 366887219 /nfs/dbraw/zinc/88/72/19/366887219.db2.gz BFOAUUDNPQNFOZ-FAUIJHMISA-N 0 1 233.302 2.435 20 0 BEADMN CCc1nc(CNC[C@@H](CC)OC)cs1 ZINC000336716844 365361701 /nfs/dbraw/zinc/36/17/01/365361701.db2.gz XNOWSIWARNNWMF-SNVBAGLBSA-N 0 1 228.361 2.220 20 0 BEADMN CCc1cnc(CNCC2(OC)CCC2)s1 ZINC000336722098 365362215 /nfs/dbraw/zinc/36/22/15/365362215.db2.gz AIYVPYXDKWUVNQ-UHFFFAOYSA-N 0 1 240.372 2.364 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1cnn(C)c1 ZINC000172905414 365387735 /nfs/dbraw/zinc/38/77/35/365387735.db2.gz FJFVKEVSDIOULB-GFCCVEGCSA-N 0 1 241.338 2.367 20 0 BEADMN CCn1cccc1CN1CC[C@H](OC(F)F)C1 ZINC000575871354 365397820 /nfs/dbraw/zinc/39/78/20/365397820.db2.gz TZUIAFBGMMRQTF-NSHDSACASA-N 0 1 244.285 2.322 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nc(COC)no1 ZINC000182398392 366897188 /nfs/dbraw/zinc/89/71/88/366897188.db2.gz JZZXKBNEPRYOGE-JTQLQIEISA-N 0 1 241.335 2.084 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000182427926 366900532 /nfs/dbraw/zinc/90/05/32/366900532.db2.gz ATCKISASUBRQCL-NXEZZACHSA-N 0 1 234.347 2.303 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000182427907 366900667 /nfs/dbraw/zinc/90/06/67/366900667.db2.gz ATCKISASUBRQCL-UWVGGRQHSA-N 0 1 234.347 2.303 20 0 BEADMN COc1ccccc1CSCCc1c[nH]nn1 ZINC000579615201 366910655 /nfs/dbraw/zinc/91/06/55/366910655.db2.gz AIZVKCJOUCZLFE-UHFFFAOYSA-N 0 1 249.339 2.289 20 0 BEADMN CCN(Cc1ccccc1)Cc1cncnc1 ZINC000158682839 541490715 /nfs/dbraw/zinc/49/07/15/541490715.db2.gz WNUWMMSLJDZQRR-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN c1c([C@H]2CCCCN2)nnn1Cc1ccccc1 ZINC000685947599 541496867 /nfs/dbraw/zinc/49/68/67/541496867.db2.gz XTCUTJGUTUANGP-CYBMUJFWSA-N 0 1 242.326 2.141 20 0 BEADMN C[C@H]1CCCC[C@@H]1OCCNCc1cnccn1 ZINC000579683224 366976060 /nfs/dbraw/zinc/97/60/60/366976060.db2.gz UNKYISDWDWRTNY-JSGCOSHPSA-N 0 1 249.358 2.162 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC(C)C)C2)cn1 ZINC000579712523 366989735 /nfs/dbraw/zinc/98/97/35/366989735.db2.gz PNNPWWBONVFZIC-CYBMUJFWSA-N 0 1 249.358 2.038 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1nccn1C)C(C)(C)C ZINC000183057200 366970936 /nfs/dbraw/zinc/97/09/36/366970936.db2.gz XTWNZZYGHGGXPP-QWRGUYRKSA-N 0 1 239.363 2.132 20 0 BEADMN CCC[C@H](C)CN1CC[NH+](CCC)CC1 ZINC000183445978 367024405 /nfs/dbraw/zinc/02/44/05/367024405.db2.gz XBQZXSZMMPODDJ-ZDUSSCGKSA-N 0 1 212.381 2.450 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C[C@H]1C ZINC000579978004 367114020 /nfs/dbraw/zinc/11/40/20/367114020.db2.gz NDGGUEUEINYQEI-GHMZBOCLSA-N 0 1 249.358 2.235 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)C1=CCCC1 ZINC000184569264 367083999 /nfs/dbraw/zinc/08/39/99/367083999.db2.gz FFGRENHSGQWYPI-UHFFFAOYSA-N 0 1 232.287 2.121 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)C1=CCCC1 ZINC000184569264 367084003 /nfs/dbraw/zinc/08/40/03/367084003.db2.gz FFGRENHSGQWYPI-UHFFFAOYSA-N 0 1 232.287 2.121 20 0 BEADMN CCCCCN(CC(N)=O)Cc1ccccc1C ZINC000193473689 367177881 /nfs/dbraw/zinc/17/78/81/367177881.db2.gz NOAKIPQRLZQNAN-UHFFFAOYSA-N 0 1 248.370 2.473 20 0 BEADMN CCCCCN(CC(N)=O)Cc1cccs1 ZINC000193474217 367178535 /nfs/dbraw/zinc/17/85/35/367178535.db2.gz DVZAABGZWUWGOW-UHFFFAOYSA-N 0 1 240.372 2.226 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000580842308 367185750 /nfs/dbraw/zinc/18/57/50/367185750.db2.gz CGZUHBQHIMUGOZ-NEPJUHHUSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1nnc([C@@H](C)NCCC(C)(C)C)o1 ZINC000380353914 367190060 /nfs/dbraw/zinc/19/00/60/367190060.db2.gz WEXSGQVTTOPQRV-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN Cc1oc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1C(=O)[O-] ZINC000380375488 367195427 /nfs/dbraw/zinc/19/54/27/367195427.db2.gz HCWJWIWNXVKLBM-TXEJJXNPSA-N 0 1 249.310 2.374 20 0 BEADMN C[C@H]1CCCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000580898157 367201289 /nfs/dbraw/zinc/20/12/89/367201289.db2.gz VYRYZISGSBRFDP-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CC[N@@H+](CC(C)C)[C@H](CC(C)C)C(=O)[O-] ZINC000580956023 367217184 /nfs/dbraw/zinc/21/71/84/367217184.db2.gz UQYQJKGVZJWZSY-LLVKDONJSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1cnc([C@@H](C)N2[C@H](C)C[C@@H]2C)cn1 ZINC000581048426 367244330 /nfs/dbraw/zinc/24/43/30/367244330.db2.gz HIFGPGSNNBFJAX-OUAUKWLOSA-N 0 1 205.305 2.329 20 0 BEADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCCF)CC1CC1 ZINC000581262596 367314059 /nfs/dbraw/zinc/31/40/59/367314059.db2.gz YRFZQOSYQCECBB-GFCCVEGCSA-N 0 1 231.311 2.311 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2cccc(O)c2)n[nH]1 ZINC000581296720 367325342 /nfs/dbraw/zinc/32/53/42/367325342.db2.gz XFUCFOITAOCZOR-VIFPVBQESA-N 0 1 246.314 2.012 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H]1CCCc2occc21 ZINC000381298009 367377177 /nfs/dbraw/zinc/37/71/77/367377177.db2.gz HFVMADOFVWHCBO-NTZNESFSSA-N 0 1 221.300 2.424 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H]1CCCc2occc21 ZINC000381298003 367377245 /nfs/dbraw/zinc/37/72/45/367377245.db2.gz HFVMADOFVWHCBO-NQBHXWOUSA-N 0 1 221.300 2.424 20 0 BEADMN CCn1ccnc1CNC[C@@H](C)C(F)(F)F ZINC000381451873 367408124 /nfs/dbraw/zinc/40/81/24/367408124.db2.gz HRQHIJUXDHWEKT-MRVPVSSYSA-N 0 1 235.253 2.191 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381550655 367428621 /nfs/dbraw/zinc/42/86/21/367428621.db2.gz UOGGKGNFDBNATK-ZJUUUORDSA-N 0 1 247.285 2.218 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000581391477 367424135 /nfs/dbraw/zinc/42/41/35/367424135.db2.gz HSHXSCHAVNYQDS-JTQLQIEISA-N 0 1 249.285 2.388 20 0 BEADMN FC1(CNc2cc3c(cn2)CCC3)CC1 ZINC000382182045 367494797 /nfs/dbraw/zinc/49/47/97/367494797.db2.gz ZSQFFQGVSOKMPN-UHFFFAOYSA-N 0 1 206.264 2.484 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000381556081 367429666 /nfs/dbraw/zinc/42/96/66/367429666.db2.gz HAMQTCQDVIBRIJ-GXSJLCMTSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(C)C)cs1 ZINC000381599011 367435903 /nfs/dbraw/zinc/43/59/03/367435903.db2.gz MVLXCHTYOOTROA-NXEZZACHSA-N 0 1 240.372 2.184 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000381607726 367437998 /nfs/dbraw/zinc/43/79/98/367437998.db2.gz OMJWBXWURYTRNS-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000381740502 367453251 /nfs/dbraw/zinc/45/32/51/367453251.db2.gz OVXXZTHDTFCZEZ-CYZMBNFOSA-N 0 1 220.316 2.218 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000382527527 367533978 /nfs/dbraw/zinc/53/39/78/367533978.db2.gz HTSMJIDZCYURLY-SECBINFHSA-N 0 1 249.232 2.044 20 0 BEADMN CC[C@@H](N[C@@H](C(=O)OC)C1CC1)C1CCCC1 ZINC000382817326 367560339 /nfs/dbraw/zinc/56/03/39/367560339.db2.gz FXLAUKWCNNSGAR-CHWSQXEVSA-N 0 1 239.359 2.496 20 0 BEADMN CC[C@H](N[C@@H](C(=O)OC)C1CC1)C1CCCC1 ZINC000382817330 367560825 /nfs/dbraw/zinc/56/08/25/367560825.db2.gz FXLAUKWCNNSGAR-QWHCGFSZSA-N 0 1 239.359 2.496 20 0 BEADMN CC[N@@H+](CC1(C(=O)[O-])CC1)C1CCCC1 ZINC000581553584 367585277 /nfs/dbraw/zinc/58/52/77/367585277.db2.gz WMIDETGUMNBUDG-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000581616753 367635998 /nfs/dbraw/zinc/63/59/98/367635998.db2.gz XHGPFHHRZGBKRC-QJPTWQEYSA-N 0 1 249.358 2.235 20 0 BEADMN Oc1cccc(CNCc2cncc(F)c2)c1 ZINC000383627841 367644705 /nfs/dbraw/zinc/64/47/05/367644705.db2.gz AUWAJGHTXQTFTE-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC2CC2)C(C)C)n1 ZINC000581641649 367646794 /nfs/dbraw/zinc/64/67/94/367646794.db2.gz NSCQISZUBRTVMR-UHFFFAOYSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC2CC2)C(C)C)n1 ZINC000581641649 367646801 /nfs/dbraw/zinc/64/68/01/367646801.db2.gz NSCQISZUBRTVMR-UHFFFAOYSA-N 0 1 249.358 2.365 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=Cc1ccccc1 ZINC000384256481 367680652 /nfs/dbraw/zinc/68/06/52/367680652.db2.gz LWRLGYUIUHJKIH-FPLPWBNLSA-N 0 1 241.294 2.048 20 0 BEADMN C[C@@H](CC(C)(C)C)NCc1csnn1 ZINC000384497717 367694236 /nfs/dbraw/zinc/69/42/36/367694236.db2.gz BJBNQNXRAAABDG-QMMMGPOBSA-N 0 1 213.350 2.452 20 0 BEADMN CC/C=C/CN[C@@H](C)c1nccnc1C ZINC000384710078 367718975 /nfs/dbraw/zinc/71/89/75/367718975.db2.gz DFIXXVLNWJIXFH-PORFMDCZSA-N 0 1 205.305 2.402 20 0 BEADMN Cc1cnc(CN[C@@H](C)CC(C)(C)O)s1 ZINC000384891320 367752429 /nfs/dbraw/zinc/75/24/29/367752429.db2.gz KYIKGIXWHDOFMA-QMMMGPOBSA-N 0 1 228.361 2.091 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)sc1C ZINC000384904100 367755014 /nfs/dbraw/zinc/75/50/14/367755014.db2.gz NUTHBSKXASFRFU-BCMRRPTOSA-N 0 1 240.372 2.415 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000384927455 367758931 /nfs/dbraw/zinc/75/89/31/367758931.db2.gz RYDAEDRCRHRVHJ-NQBHXWOUSA-N 0 1 237.347 2.120 20 0 BEADMN COCC(COC)NCc1ccc(Cl)s1 ZINC000384965200 367766490 /nfs/dbraw/zinc/76/64/90/367766490.db2.gz OFCBUIRWNPSFPD-UHFFFAOYSA-N 0 1 249.763 2.153 20 0 BEADMN Cc1c([C@@H](C)NCc2ccncc2C)cnn1C ZINC000385030600 367776122 /nfs/dbraw/zinc/77/61/22/367776122.db2.gz KPDMMXYHVOJPIO-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1nccs1 ZINC000385102345 367791383 /nfs/dbraw/zinc/79/13/83/367791383.db2.gz HXAMWDXWSXTYLD-KATARQTJSA-N 0 1 226.345 2.360 20 0 BEADMN Cc1nc(CN[C@@H]2CSC2(C)C)[nH]c1C ZINC000581737382 367801291 /nfs/dbraw/zinc/80/12/91/367801291.db2.gz GLPWYDVUMUFPQU-SECBINFHSA-N 0 1 225.361 2.010 20 0 BEADMN CCC[N@H+](CC(F)F)CC1(CC(=O)[O-])CC1 ZINC000385870822 367872780 /nfs/dbraw/zinc/87/27/80/367872780.db2.gz MSGPYPAMTZMSMF-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CCC[N@@H+](CC(F)F)CC1(CC(=O)[O-])CC1 ZINC000385870822 367872784 /nfs/dbraw/zinc/87/27/84/367872784.db2.gz MSGPYPAMTZMSMF-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN Cc1cc(CNc2cc3c(cn2)CCC3)no1 ZINC000581771703 367824867 /nfs/dbraw/zinc/82/48/67/367824867.db2.gz KYLDRBCUYBKZGR-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN Cc1nnsc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000566299136 326028269 /nfs/dbraw/zinc/02/82/69/326028269.db2.gz RSOHGTZBLHDURE-IUCAKERBSA-N 0 1 225.361 2.324 20 0 BEADMN CC[C@H](N[C@@H](C)c1csc(C)n1)[C@H](C)O ZINC000386687620 368009732 /nfs/dbraw/zinc/00/97/32/368009732.db2.gz JPKAWDMOINENKH-NRPADANISA-N 0 1 228.361 2.262 20 0 BEADMN CC(=O)c1cc(CN(C)[C@@H]2CC[C@H](C)C2)on1 ZINC000566417351 326042858 /nfs/dbraw/zinc/04/28/58/326042858.db2.gz XOXFBGCSQQYIRU-GXSJLCMTSA-N 0 1 236.315 2.498 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000031715484 368252307 /nfs/dbraw/zinc/25/23/07/368252307.db2.gz XTYCKZKSXCHFKC-VIFPVBQESA-N 0 1 235.331 2.404 20 0 BEADMN CCC(C)(CC)NC(=O)CN1CCC(C)(C)C1 ZINC000566441589 326047775 /nfs/dbraw/zinc/04/77/75/326047775.db2.gz HEVXAJCTUTZBCG-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@H]1C[C@H](NCc2c(F)cccc2F)C1 ZINC000623806910 368290178 /nfs/dbraw/zinc/29/01/78/368290178.db2.gz LHVWTFDBKUHWJU-KYZUINATSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC(=O)NCC1CC1 ZINC000042473724 368310645 /nfs/dbraw/zinc/31/06/45/368310645.db2.gz PGKXEXIHHPXKIP-GFCCVEGCSA-N 0 1 246.354 2.206 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)CN(C)C1CC1 ZINC000046060321 368435974 /nfs/dbraw/zinc/43/59/74/368435974.db2.gz JSLSGBCSTUPXPU-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)CN1CCCCC1 ZINC000060934808 368556368 /nfs/dbraw/zinc/55/63/68/368556368.db2.gz DMTJUHWLEMJXDG-QWHCGFSZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCC2)cc1 ZINC000061255345 368561011 /nfs/dbraw/zinc/56/10/11/368561011.db2.gz MPNFQJWMFNRJQD-CYBMUJFWSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC(=O)N2CCC2)cc1 ZINC000061255345 368561017 /nfs/dbraw/zinc/56/10/17/368561017.db2.gz MPNFQJWMFNRJQD-CYBMUJFWSA-N 0 1 246.354 2.220 20 0 BEADMN c1cnc(CN[C@@H]2CC[C@H]2C2CCC2)nc1 ZINC000566984640 326099926 /nfs/dbraw/zinc/09/99/26/326099926.db2.gz OMOOLBMHJZKAAM-NWDGAFQWSA-N 0 1 217.316 2.145 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(C)cc1F ZINC000060477826 368544623 /nfs/dbraw/zinc/54/46/23/368544623.db2.gz HSFAXTJEUSHMLI-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1cc(C)n(CCN(C)Cc2ccco2)n1 ZINC000068784463 368736195 /nfs/dbraw/zinc/73/61/95/368736195.db2.gz TWDBSTIBDSULRV-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN CCCN(CCC)CC(=O)Nc1cc(C)on1 ZINC000070926428 368768480 /nfs/dbraw/zinc/76/84/80/368768480.db2.gz HBHIXIHNPLMFAW-UHFFFAOYSA-N 0 1 239.319 2.044 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1CC(C(C)(C)C)C1 ZINC000457422489 203059286 /nfs/dbraw/zinc/05/92/86/203059286.db2.gz OCXCVYMGOTUWIW-UHFFFAOYSA-N 0 1 249.358 2.407 20 0 BEADMN CCn1cc(CN(C)[C@@H]2C=CCCC2)cn1 ZINC000072989094 368788536 /nfs/dbraw/zinc/78/85/36/368788536.db2.gz QUUJZACZEOKWMW-CYBMUJFWSA-N 0 1 219.332 2.444 20 0 BEADMN CCC(C)(C)CC(=O)NCc1cn[nH]c1C ZINC000073052396 368791056 /nfs/dbraw/zinc/79/10/56/368791056.db2.gz GEWMDSDHXIIHCA-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CCCCC1 ZINC000086258813 368876834 /nfs/dbraw/zinc/87/68/34/368876834.db2.gz OFRAYJNWKYUFHO-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783592 368885416 /nfs/dbraw/zinc/88/54/16/368885416.db2.gz NWRGQCGYYDVVLO-SMDDNHRTSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000086790159 368885431 /nfs/dbraw/zinc/88/54/31/368885431.db2.gz DPYFVBVVDAJXMI-LLVKDONJSA-N 0 1 237.274 2.041 20 0 BEADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC000088133806 368905492 /nfs/dbraw/zinc/90/54/92/368905492.db2.gz JNQUVADZQPYXKC-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN C[N@@H+](C[C@H]1Cc2ccccc21)C(C)(C)C(=O)[O-] ZINC000090978125 369002967 /nfs/dbraw/zinc/00/29/67/369002967.db2.gz OQTGODQZHZYLID-LLVKDONJSA-N 0 1 233.311 2.121 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)N(C)CC1CN(C)C1 ZINC000618190876 369082462 /nfs/dbraw/zinc/08/24/62/369082462.db2.gz KDGKSRFFYBDSST-NSHDSACASA-N 0 1 240.391 2.079 20 0 BEADMN CCCC[C@@H](CC)C(=O)N(C)CC1CN(C)C1 ZINC000618195664 369085794 /nfs/dbraw/zinc/08/57/94/369085794.db2.gz SQOCUMSKJQQUNP-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)CCCCC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000457624003 203081612 /nfs/dbraw/zinc/08/16/12/203081612.db2.gz UZVDRYOKTSXEIU-JTQLQIEISA-N 0 1 238.335 2.198 20 0 BEADMN COC(=O)c1ccc(CNCc2ccoc2)cc1 ZINC000164454808 203114272 /nfs/dbraw/zinc/11/42/72/203114272.db2.gz MKYGTUJBXZINDY-UHFFFAOYSA-N 0 1 245.278 2.356 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC000618864517 369228818 /nfs/dbraw/zinc/22/88/18/369228818.db2.gz VACAUYQGTZMLIR-LLVKDONJSA-N 0 1 247.342 2.207 20 0 BEADMN COCc1cc(CN2C[C@@H](C)C[C@H](C)C2)no1 ZINC000459295804 203250159 /nfs/dbraw/zinc/25/01/59/203250159.db2.gz LUDISRVOWZTTOQ-QWRGUYRKSA-N 0 1 238.331 2.299 20 0 BEADMN CN(Cc1cnc(C2CC2)nc1)[C@H]1CCSC1 ZINC000459306769 203252035 /nfs/dbraw/zinc/25/20/35/203252035.db2.gz RFYQXJFWWHIVLP-LBPRGKRZSA-N 0 1 249.383 2.291 20 0 BEADMN COCc1cc(CN2CCC[C@@H]2C(C)C)no1 ZINC000459304899 203253782 /nfs/dbraw/zinc/25/37/82/203253782.db2.gz PMMACXWNCCYQOA-CYBMUJFWSA-N 0 1 238.331 2.441 20 0 BEADMN Cc1cc(CNCCCOC2CCCC2)no1 ZINC000459393149 203273937 /nfs/dbraw/zinc/27/39/37/203273937.db2.gz VKTWARIFJOERSI-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CC[C@@H]1CN(C2CC(OC(C)C)C2)CCO1 ZINC000459313174 203255579 /nfs/dbraw/zinc/25/55/79/203255579.db2.gz PFIIZDGDBBACTK-OTTFEQOBSA-N 0 1 227.348 2.053 20 0 BEADMN COCc1cc(CN(C)CC2CCCC2)no1 ZINC000459323658 203257140 /nfs/dbraw/zinc/25/71/40/203257140.db2.gz JSIYSSQXCAEMQY-UHFFFAOYSA-N 0 1 238.331 2.443 20 0 BEADMN CC[C@H]1CCCN1Cc1cc(COC)on1 ZINC000459332325 203258112 /nfs/dbraw/zinc/25/81/12/203258112.db2.gz VPXMZNNRGKVDNR-NSHDSACASA-N 0 1 224.304 2.195 20 0 BEADMN COCc1cc(CN2CC[C@H](C3CC3)C2)no1 ZINC000459346654 203264083 /nfs/dbraw/zinc/26/40/83/203264083.db2.gz ULZSASFSFTUQIK-NSHDSACASA-N 0 1 236.315 2.053 20 0 BEADMN COCc1cc(CN2C[C@@H]3CCC[C@H]3C2)no1 ZINC000459357789 203268125 /nfs/dbraw/zinc/26/81/25/203268125.db2.gz WMVLRVZMTFSXRN-QWRGUYRKSA-N 0 1 236.315 2.053 20 0 BEADMN CCC[C@H]1CN(C2CC(OC(C)C)C2)CCO1 ZINC000459383065 203270759 /nfs/dbraw/zinc/27/07/59/203270759.db2.gz DXEWXIAQKUUCEV-MOKVOYLWSA-N 0 1 241.375 2.443 20 0 BEADMN COCc1cc(CN[C@H]2CC23CCCC3)no1 ZINC000459501553 203293743 /nfs/dbraw/zinc/29/37/43/203293743.db2.gz FIMLNBWEPHHLHV-LBPRGKRZSA-N 0 1 236.315 2.243 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000619349206 369318479 /nfs/dbraw/zinc/31/84/79/369318479.db2.gz UCLHVXVCQSBYON-MWLCHTKSSA-N 0 1 241.294 2.045 20 0 BEADMN FC(F)COC1CN(C[C@H]2CC=CCC2)C1 ZINC000459586007 203306689 /nfs/dbraw/zinc/30/66/89/203306689.db2.gz DETVZYJOVDWPJS-JTQLQIEISA-N 0 1 231.286 2.309 20 0 BEADMN OCCC1CN(C/C=C\c2ccc(F)cc2)C1 ZINC000459584840 203307815 /nfs/dbraw/zinc/30/78/15/203307815.db2.gz AFRLOKBRNRGQKB-UPHRSURJSA-N 0 1 235.302 2.153 20 0 BEADMN CCCCCOC1CN(C[C@@H]2CCCOC2)C1 ZINC000459589620 203308875 /nfs/dbraw/zinc/30/88/75/203308875.db2.gz IAVPVRNLWURABW-ZDUSSCGKSA-N 0 1 241.375 2.304 20 0 BEADMN COC1CN([C@H](C)CCc2cccc(F)c2)C1 ZINC000459590625 203308970 /nfs/dbraw/zinc/30/89/70/203308970.db2.gz YIUHIQBSQNEJDR-LLVKDONJSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN2CC(CCO)C2)o1 ZINC000459589473 203310236 /nfs/dbraw/zinc/31/02/36/203310236.db2.gz JCCALCMSWMLGSD-GXFFZTMASA-N 0 1 235.327 2.217 20 0 BEADMN CC(C)Oc1ccc(CN2CC(CCO)C2)cc1 ZINC000459598912 203311680 /nfs/dbraw/zinc/31/16/80/203311680.db2.gz XEKOQLYIDBYGIN-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN COCCCOC1CN(C[C@H](C)CC(C)C)C1 ZINC000459598322 203311737 /nfs/dbraw/zinc/31/17/37/203311737.db2.gz WPFASNNGMLSLKJ-CYBMUJFWSA-N 0 1 243.391 2.406 20 0 BEADMN COc1ccccc1CN1CC2(C1)CCCOC2 ZINC000459603295 203314076 /nfs/dbraw/zinc/31/40/76/203314076.db2.gz HYTAWIDKBZIHKB-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CCOC1CN(C[C@H](C)CC2CCOCC2)C1 ZINC000459603758 203314393 /nfs/dbraw/zinc/31/43/93/203314393.db2.gz IJZLPRWLAMPURQ-GFCCVEGCSA-N 0 1 241.375 2.160 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CC1=CCCC1 ZINC000401151368 369357945 /nfs/dbraw/zinc/35/79/45/369357945.db2.gz DUGVBKUXPRKLQJ-GFCCVEGCSA-N 0 1 223.316 2.124 20 0 BEADMN COC1(c2ccccc2)CN(C[C@H]2C[C@H]2C)C1 ZINC000459549621 203298838 /nfs/dbraw/zinc/29/88/38/203298838.db2.gz FNABJLMTJWFMDP-CHWSQXEVSA-N 0 1 231.339 2.500 20 0 BEADMN CCC(CC)(CNCc1cc(C)on1)OC ZINC000459556098 203300942 /nfs/dbraw/zinc/30/09/42/203300942.db2.gz JDYUTGOUSDNSSZ-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN COCc1cc(CNC2(C3(C)CC3)CC2)no1 ZINC000459563631 203302339 /nfs/dbraw/zinc/30/23/39/203302339.db2.gz DPRJCASLTPOPSH-UHFFFAOYSA-N 0 1 236.315 2.243 20 0 BEADMN CCn1nnc(C)c1CN1CC(C2CCCC2)C1 ZINC000459606294 203314840 /nfs/dbraw/zinc/31/48/40/203314840.db2.gz FHQFAFQNIDCUGG-UHFFFAOYSA-N 0 1 248.374 2.228 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccncc1Cl ZINC000623677727 369372257 /nfs/dbraw/zinc/37/22/57/369372257.db2.gz RNNUUGOETSAICM-NEPJUHHUSA-N 0 1 240.734 2.392 20 0 BEADMN CCOC1(C)CN(CC2(OC)CCCC2)C1 ZINC000459619092 203320164 /nfs/dbraw/zinc/32/01/64/203320164.db2.gz KAKLGOYFHQSRSS-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CCOC1(C)CN(CC2(SC)CCC2)C1 ZINC000459627987 203321153 /nfs/dbraw/zinc/32/11/53/203321153.db2.gz XTYCDVQROJEZFE-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN FC(F)OC1CN(C[C@@H]2CC=CCC2)C1 ZINC000459627559 203322474 /nfs/dbraw/zinc/32/24/74/203322474.db2.gz LGVKMXXELRYZJD-SECBINFHSA-N 0 1 217.259 2.266 20 0 BEADMN COCCC1(C)CN(C/C=C\c2ccncc2)C1 ZINC000459634884 203325389 /nfs/dbraw/zinc/32/53/89/203325389.db2.gz NPLNIYLLIRABPG-ARJAWSKDSA-N 0 1 246.354 2.453 20 0 BEADMN CN(C)c1ncc(CN2CC(C(C)(C)C)C2)cn1 ZINC000459636343 203327377 /nfs/dbraw/zinc/32/73/77/203327377.db2.gz HCCUHJASSIMEJS-UHFFFAOYSA-N 0 1 248.374 2.021 20 0 BEADMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccccc1 ZINC000153805318 369441227 /nfs/dbraw/zinc/44/12/27/369441227.db2.gz OFUJTMDLDQADMO-CQSZACIVSA-N 0 1 246.354 2.099 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cnc(C)nc1 ZINC000459675794 203334831 /nfs/dbraw/zinc/33/48/31/203334831.db2.gz MYQLZZUWHGXRPQ-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1conc1C ZINC000459675391 203335310 /nfs/dbraw/zinc/33/53/10/203335310.db2.gz MEWZWUUEHAOYRJ-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN OCCCCN1CCc2cccc(Cl)c2C1 ZINC000459677644 203335625 /nfs/dbraw/zinc/33/56/25/203335625.db2.gz MISPHJIIETXIFM-UHFFFAOYSA-N 0 1 239.746 2.471 20 0 BEADMN CN(Cc1ccccc1)C(=O)CN1CCCCC1 ZINC000060476607 369486797 /nfs/dbraw/zinc/48/67/97/369486797.db2.gz HLYFOFHOCBZCTC-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN COCc1ccc(CN2C[C@@H]3C[C@H]2CS3)o1 ZINC000459779441 203365110 /nfs/dbraw/zinc/36/51/10/203365110.db2.gz ZTWFTEKWZIYTIM-CABZTGNLSA-N 0 1 239.340 2.116 20 0 BEADMN O=C(NCC1=CCCC1)c1ccc(F)cc1O ZINC000620007229 369664114 /nfs/dbraw/zinc/66/41/14/369664114.db2.gz RNQLVSRGIVUXKC-UHFFFAOYSA-N 0 1 235.258 2.371 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000620079325 369715334 /nfs/dbraw/zinc/71/53/34/369715334.db2.gz RUOKSESUYWLVQH-OTYXRUKQSA-N 0 1 247.342 2.134 20 0 BEADMN CCc1noc(CN2CCC[C@@H]2C(C)C)n1 ZINC000620140067 369745889 /nfs/dbraw/zinc/74/58/89/369745889.db2.gz GWJXEKNJOUGVEM-SNVBAGLBSA-N 0 1 223.320 2.252 20 0 BEADMN C[C@@H]1CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000620213378 369773265 /nfs/dbraw/zinc/77/32/65/369773265.db2.gz RXZOOIQIRZEDSH-SNVBAGLBSA-N 0 1 241.294 2.311 20 0 BEADMN CCN1C(=O)N=NC1SC1CC(C)(C)C1 ZINC000631003869 370074979 /nfs/dbraw/zinc/07/49/79/370074979.db2.gz ANRRIQBMBQYUHD-UHFFFAOYSA-N 0 1 227.333 2.284 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621045179 370079705 /nfs/dbraw/zinc/07/97/05/370079705.db2.gz VVMBFGHKNHWOLO-JTQLQIEISA-N 0 1 249.358 2.192 20 0 BEADMN CCOCCN(C)Cc1cncc(Cl)c1 ZINC000621272487 370203730 /nfs/dbraw/zinc/20/37/30/370203730.db2.gz TWEAXWKSDQBAOF-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CCOc1cncc(CNC2CC(F)(F)C2)c1 ZINC000621349863 370284875 /nfs/dbraw/zinc/28/48/75/370284875.db2.gz VILHJSCPOAAZCV-UHFFFAOYSA-N 0 1 242.269 2.368 20 0 BEADMN CCCC[C@@H](C(=O)N1CCNC[C@H]1C)C(C)C ZINC000621621003 370405772 /nfs/dbraw/zinc/40/57/72/370405772.db2.gz OXMKUKADYRCAHC-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCCCN(CC(=O)OCC)CC(C)C ZINC000065223875 370413238 /nfs/dbraw/zinc/41/32/38/370413238.db2.gz CREOAWBTSLALCY-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CCc1[nH]ncc1C(=O)N(C)c1ccc(F)cc1 ZINC000065495835 370452175 /nfs/dbraw/zinc/45/21/75/370452175.db2.gz JMCKSTAPJSOMRG-UHFFFAOYSA-N 0 1 247.273 2.388 20 0 BEADMN Cc1nccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000621714459 370460834 /nfs/dbraw/zinc/46/08/34/370460834.db2.gz OOQKTLCXBHBLKS-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1nccnc1CN(C)CCCOC(C)C ZINC000621717760 370467651 /nfs/dbraw/zinc/46/76/51/370467651.db2.gz NFDANWVWYGFMSL-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN CCOc1cncc(CN2CC[C@@H]2CC)c1 ZINC000621729109 370478874 /nfs/dbraw/zinc/47/88/74/370478874.db2.gz JEKGSPQOZIRKOR-LBPRGKRZSA-N 0 1 220.316 2.465 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])ccn1 ZINC000621773872 370518400 /nfs/dbraw/zinc/51/84/00/370518400.db2.gz DXGXASDSIXHXFE-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])ccn1 ZINC000621773874 370518893 /nfs/dbraw/zinc/51/88/93/370518893.db2.gz DXGXASDSIXHXFE-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN OCc1ccc(CN2CC(CC3CC3)C2)o1 ZINC000621740590 370499314 /nfs/dbraw/zinc/49/93/14/370499314.db2.gz YHPRUOVZELOFIF-UHFFFAOYSA-N 0 1 221.300 2.004 20 0 BEADMN c1ccc(CN2CC(CC3CC3)C2)nc1 ZINC000621740321 370499564 /nfs/dbraw/zinc/49/95/64/370499564.db2.gz KBYVRTAIXVFSNM-UHFFFAOYSA-N 0 1 202.301 2.314 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000568404551 326354720 /nfs/dbraw/zinc/35/47/20/326354720.db2.gz YZMBZTQNNSRYNL-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621911999 370595117 /nfs/dbraw/zinc/59/51/17/370595117.db2.gz WPCSICLEWHCDCL-CQSZACIVSA-N 0 1 249.358 2.336 20 0 BEADMN CCCC1(CNC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000621913294 370596017 /nfs/dbraw/zinc/59/60/17/370596017.db2.gz JBFYPCBQEWNPNU-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN CCc1cccnc1NC(=O)c1[nH]c(C)nc1C ZINC000621929322 370604734 /nfs/dbraw/zinc/60/47/34/370604734.db2.gz KXRPALPSLXHSNJ-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1C ZINC000621938465 370609840 /nfs/dbraw/zinc/60/98/40/370609840.db2.gz BQQLIFMIDCMNSQ-MNOVXSKESA-N 0 1 249.358 2.192 20 0 BEADMN OCc1ccc(CN[C@@H]2CCCC[C@H]2F)o1 ZINC000378807292 371020773 /nfs/dbraw/zinc/02/07/73/371020773.db2.gz XQNGYKJIRAVJOV-VXGBXAGGSA-N 0 1 227.279 2.142 20 0 BEADMN CCc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)o1 ZINC000623753633 371082510 /nfs/dbraw/zinc/08/25/10/371082510.db2.gz BHTUVSULVBIECN-SMDDNHRTSA-N 0 1 235.327 2.499 20 0 BEADMN c1nc2c(s1)CCC[C@@H]2NC[C@@H]1CCCO1 ZINC000623850831 371124579 /nfs/dbraw/zinc/12/45/79/371124579.db2.gz SMQNGLTUQIHXOM-UWVGGRQHSA-N 0 1 238.356 2.289 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@@H]1CCCCO1 ZINC000623923766 371158254 /nfs/dbraw/zinc/15/82/54/371158254.db2.gz KTOVFMZUYXTDPR-GWCFXTLKSA-N 0 1 238.306 2.268 20 0 BEADMN CCOc1ccccc1CN[C@@H]1C[C@H]1OCC ZINC000569185622 326393230 /nfs/dbraw/zinc/39/32/30/326393230.db2.gz FMNXPMDLFYSCKG-TZMCWYRMSA-N 0 1 235.327 2.352 20 0 BEADMN CC[C@@H](C)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001642837343 1172409946 /nfs/dbraw/zinc/40/99/46/1172409946.db2.gz HBIRRVQJAHQTCU-QWHCGFSZSA-N 0 1 240.391 2.223 20 0 BEADMN CCO[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000156013573 371338403 /nfs/dbraw/zinc/33/84/03/371338403.db2.gz XGOBVBNPIVVLSF-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CCC(F)(F)CN[C@H](C)[C@@H]1CCOC1 ZINC000624148105 371343601 /nfs/dbraw/zinc/34/36/01/371343601.db2.gz VLXMQHSAAJLNMM-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2c(C)noc2C)on1 ZINC000631077349 371398054 /nfs/dbraw/zinc/39/80/54/371398054.db2.gz ZPNZSWFFAANDOJ-MRVPVSSYSA-N 0 1 249.314 2.309 20 0 BEADMN c1n[nH]cc1CN[C@@H]1CCCOc2ccccc21 ZINC000624219659 371408839 /nfs/dbraw/zinc/40/88/39/371408839.db2.gz CQHNTLMIORAJAP-CYBMUJFWSA-N 0 1 243.310 2.413 20 0 BEADMN C[C@H]1CCC[C@@H]1CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369737 371588312 /nfs/dbraw/zinc/58/83/12/371588312.db2.gz BKGHDRCUANAILV-WDEREUQCSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1csc(CCNCc2cscn2)n1 ZINC000058395707 372018607 /nfs/dbraw/zinc/01/86/07/372018607.db2.gz QLUKFKFEPRMDCD-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CC(C)n1ncnc1CNC[C@@H]1C[C@H]1C1CCC1 ZINC000631161348 372211789 /nfs/dbraw/zinc/21/17/89/372211789.db2.gz IFQMEBXKNUUGHB-STQMWFEESA-N 0 1 248.374 2.385 20 0 BEADMN CC(C)c1cc(N2CCN(C)C(C)(C)C2)ncn1 ZINC000631334150 372296137 /nfs/dbraw/zinc/29/61/37/372296137.db2.gz DYMKWCYTHGDKSY-UHFFFAOYSA-N 0 1 248.374 2.130 20 0 BEADMN CC(C)n1cc(CN[C@]23C[C@H]2CCCC3)nn1 ZINC000631226176 372248164 /nfs/dbraw/zinc/24/81/64/372248164.db2.gz LTZPYCRTXDSELM-DGCLKSJQSA-N 0 1 234.347 2.281 20 0 BEADMN COc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000631260123 372265708 /nfs/dbraw/zinc/26/57/08/372265708.db2.gz JARSEKFYWHHWPO-RKDXNWHRSA-N 0 1 246.232 2.131 20 0 BEADMN Oc1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631262234 372267345 /nfs/dbraw/zinc/26/73/45/372267345.db2.gz GJCCZFXXYMHRFC-NXEZZACHSA-N 0 1 231.217 2.433 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccn1 ZINC000631262099 372267658 /nfs/dbraw/zinc/26/76/58/372267658.db2.gz OIBGDHKLQAJRSA-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN Fc1cncc(CN[C@@H]2CCCn3nccc32)c1 ZINC000631301267 372284546 /nfs/dbraw/zinc/28/45/46/372284546.db2.gz OLNNHKFRQZOLFY-GFCCVEGCSA-N 0 1 246.289 2.042 20 0 BEADMN CN1CCN(C(=O)Nc2ccccc2)CC1(C)C ZINC000631471978 372382868 /nfs/dbraw/zinc/38/28/68/372382868.db2.gz MHTYNQBPZZJGFW-UHFFFAOYSA-N 0 1 247.342 2.245 20 0 BEADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000171174918 372418215 /nfs/dbraw/zinc/41/82/15/372418215.db2.gz YXUIGEDVXZYAQY-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2NCC(C)(C)F ZINC000631660311 372486908 /nfs/dbraw/zinc/48/69/08/372486908.db2.gz FAXQEHLFNDCDAL-SNVBAGLBSA-N 0 1 225.311 2.135 20 0 BEADMN CCC[C@@H](CCO)N[C@H](C)c1cscn1 ZINC000631670117 372496428 /nfs/dbraw/zinc/49/64/28/372496428.db2.gz TYPDYXSNXGQJHK-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1nccn1C ZINC000631702165 372513417 /nfs/dbraw/zinc/51/34/17/372513417.db2.gz JDPBJRZJKCRBDX-FIQHERPVSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)[C@H](O)C(F)(F)F ZINC000631720558 372522463 /nfs/dbraw/zinc/52/24/63/372522463.db2.gz SWIQHRDIYGBSDI-XKSSXDPKSA-N 0 1 248.248 2.044 20 0 BEADMN c1cc([C@@H]2CCCN(CC3=NOCC3)C2)ccn1 ZINC001643004153 1172425152 /nfs/dbraw/zinc/42/51/52/1172425152.db2.gz GAVIZRFBMBMQKQ-CYBMUJFWSA-N 0 1 245.326 2.037 20 0 BEADMN CCCc1cc(C(=O)N(CCC)C2CC2)n[nH]1 ZINC000171557263 372693785 /nfs/dbraw/zinc/69/37/85/372693785.db2.gz FXEGAGMNTXUDBX-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)OC(C)(C)C ZINC000171950340 372837675 /nfs/dbraw/zinc/83/76/75/372837675.db2.gz SMMMYYJJRKJFBQ-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN C[N@H+](CC(=O)NCc1ccccc1)CC1CCC1 ZINC000171971710 372840266 /nfs/dbraw/zinc/84/02/66/372840266.db2.gz CRSBCARRQAEZON-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN O=C(C[C@H]1C=CCC1)Nc1ccc2[nH]nnc2c1 ZINC000176728030 182025267 /nfs/dbraw/zinc/02/52/67/182025267.db2.gz PSJRPCXVJKASSP-VIFPVBQESA-N 0 1 242.282 2.253 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCC[C@@H]1C1CCCC1 ZINC000175593852 182052415 /nfs/dbraw/zinc/05/24/15/182052415.db2.gz HVERPWWLNNCEMA-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)NC1CCCC1 ZINC000299186655 182059788 /nfs/dbraw/zinc/05/97/88/182059788.db2.gz ARQCEXZUJLAAIG-UHFFFAOYSA-N 0 1 243.310 2.164 20 0 BEADMN O=C(NC1CC1)c1n[nH]c2ccc(Cl)cc21 ZINC000278797775 182102286 /nfs/dbraw/zinc/10/22/86/182102286.db2.gz YYTQVILKSSLSKA-UHFFFAOYSA-N 0 1 235.674 2.109 20 0 BEADMN O=C(NCC1CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000268137155 182146409 /nfs/dbraw/zinc/14/64/09/182146409.db2.gz HFZFZFLHHZDDSN-NSHDSACASA-N 0 1 247.342 2.136 20 0 BEADMN CC(C)(F)CNC(=O)c1cccc2nc[nH]c21 ZINC000633723218 373717077 /nfs/dbraw/zinc/71/70/77/373717077.db2.gz IBHHRLGXDYENKO-UHFFFAOYSA-N 0 1 235.262 2.041 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1nccn1C ZINC000187845925 205815534 /nfs/dbraw/zinc/81/55/34/205815534.db2.gz SJQRNSSZJRNYTP-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634086317 373953724 /nfs/dbraw/zinc/95/37/24/373953724.db2.gz MUKDCSFMEDGAII-SUNKGSAMSA-N 0 1 247.342 2.037 20 0 BEADMN O=C(NCCc1ccccc1F)C(F)(F)F ZINC000070266814 182205064 /nfs/dbraw/zinc/20/50/64/182205064.db2.gz GEXMRONVRCOBOZ-UHFFFAOYSA-N 0 1 235.180 2.047 20 0 BEADMN CC(C)c1noc(CN[C@H]2CCC[C@H]2C)n1 ZINC000381257680 374100868 /nfs/dbraw/zinc/10/08/68/374100868.db2.gz RCLODSWYUPPPET-ZJUUUORDSA-N 0 1 223.320 2.471 20 0 BEADMN O=C(NC[C@H]1CCCCN1C1CC1)c1ccco1 ZINC000278097034 182236518 /nfs/dbraw/zinc/23/65/18/182236518.db2.gz YZNXMQAKKNFTNV-GFCCVEGCSA-N 0 1 248.326 2.026 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C)CC2CCC2)c1C ZINC000634367406 374212007 /nfs/dbraw/zinc/21/20/07/374212007.db2.gz ILJGURSFRZHHPV-QMMMGPOBSA-N 0 1 235.331 2.335 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)[C@@H]1CCCCN1C ZINC000634368103 374213474 /nfs/dbraw/zinc/21/34/74/374213474.db2.gz XQVFQEHOIDYMTP-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H](C2CCC2)CC1 ZINC000634521410 374288162 /nfs/dbraw/zinc/28/81/62/374288162.db2.gz LEYDIWZUXNEAFR-GFCCVEGCSA-N 0 1 247.342 2.452 20 0 BEADMN CC(C)C[C@H](N)c1noc(C23CC(C2)C3)n1 ZINC000634555111 374311538 /nfs/dbraw/zinc/31/15/38/374311538.db2.gz ADULZGPDASAIEY-XEVUQIKYSA-N 0 1 221.304 2.167 20 0 BEADMN COc1ccnc(CN[C@H](C)CC(C)C)n1 ZINC000424193703 206035677 /nfs/dbraw/zinc/03/56/77/206035677.db2.gz VAFMHKIHYGDEJS-SNVBAGLBSA-N 0 1 223.320 2.009 20 0 BEADMN CCOCCNCc1c(F)cc(C)cc1F ZINC000424131618 206031439 /nfs/dbraw/zinc/03/14/39/206031439.db2.gz JKDBYZDQVPMWDU-UHFFFAOYSA-N 0 1 229.270 2.399 20 0 BEADMN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)C(F)(F)F ZINC000263699185 182318210 /nfs/dbraw/zinc/31/82/10/182318210.db2.gz RVFOWBMOSZTUFV-DTWKUNHWSA-N 0 1 247.191 2.360 20 0 BEADMN CC[C@H](F)CN1CCC[C@H]1C(=O)N(CC)CC ZINC000440697228 206079818 /nfs/dbraw/zinc/07/98/18/206079818.db2.gz ZHELWGDLIXOYNC-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN CO[C@@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450475784 206081152 /nfs/dbraw/zinc/08/11/52/206081152.db2.gz ZUHGGLDMYCXIJJ-CQSZACIVSA-N 0 1 233.311 2.110 20 0 BEADMN CCc1nocc1CN1CC[C@@H]1C1CC1 ZINC000449425565 206098075 /nfs/dbraw/zinc/09/80/75/206098075.db2.gz HUCGUHWTPKAXRD-GFCCVEGCSA-N 0 1 206.289 2.221 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000177363759 182326957 /nfs/dbraw/zinc/32/69/57/182326957.db2.gz WMGFPTDRBLASMA-WDEREUQCSA-N 0 1 245.326 2.055 20 0 BEADMN CCOCCOC1CN(C[C@H]2CC=CCC2)C1 ZINC000459465145 206127237 /nfs/dbraw/zinc/12/72/37/206127237.db2.gz PFBBGWXOGGSJQW-ZDUSSCGKSA-N 0 1 239.359 2.080 20 0 BEADMN CCC[C@@](C)(CO)NCc1nc(C)cs1 ZINC000165149473 206139908 /nfs/dbraw/zinc/13/99/08/206139908.db2.gz YBVJCOALSKCXKE-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN COC1(C)CN(C[C@H](C)CC2CCOCC2)C1 ZINC000459578541 206136079 /nfs/dbraw/zinc/13/60/79/206136079.db2.gz HSGPLEVUHNCHKE-GFCCVEGCSA-N 0 1 241.375 2.160 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCS1 ZINC000266551051 182365629 /nfs/dbraw/zinc/36/56/29/182365629.db2.gz LBLIHMUGGJSLTK-NSHDSACASA-N 0 1 247.323 2.397 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000184619244 182397307 /nfs/dbraw/zinc/39/73/07/182397307.db2.gz ICCBVCMXXYBGKC-VHSXEESVSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1C[C@H]1C1CC1 ZINC000184619244 182397309 /nfs/dbraw/zinc/39/73/09/182397309.db2.gz ICCBVCMXXYBGKC-VHSXEESVSA-N 0 1 246.314 2.057 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000032014408 182460024 /nfs/dbraw/zinc/46/00/24/182460024.db2.gz WGVLOOZNMVUAAJ-UHFFFAOYSA-N 0 1 223.272 2.109 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000109504008 170143415 /nfs/dbraw/zinc/14/34/15/170143415.db2.gz KGKRJYKOERCICR-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN CCOC(=O)CN([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000104966077 170215623 /nfs/dbraw/zinc/21/56/23/170215623.db2.gz NRVMEJFAKFHAPI-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CCOC(=O)CN1CCCC[C@@H]1C(C)C ZINC000117432125 170218630 /nfs/dbraw/zinc/21/86/30/170218630.db2.gz SJIJPHUSANIDTG-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN OC1(CNCc2c(F)cccc2Cl)CCC1 ZINC000123188998 183019925 /nfs/dbraw/zinc/01/99/25/183019925.db2.gz WZLCFZQOGCRQMO-UHFFFAOYSA-N 0 1 243.709 2.484 20 0 BEADMN OCC(F)(F)CN[C@H]1CCCC[C@@H]1C1CC1 ZINC000309629037 183034874 /nfs/dbraw/zinc/03/48/74/183034874.db2.gz JWTZLZHOTAWNEU-MNOVXSKESA-N 0 1 233.302 2.172 20 0 BEADMN OCCCCN1CCC[C@H]1c1nccs1 ZINC000377531540 183051718 /nfs/dbraw/zinc/05/17/18/183051718.db2.gz KNXUAVJLYWYSAU-JTQLQIEISA-N 0 1 226.345 2.053 20 0 BEADMN OCCCN1CC(c2nc3ccccc3s2)C1 ZINC000336681551 183055513 /nfs/dbraw/zinc/05/55/13/183055513.db2.gz CVTFWHVCIFFEAT-UHFFFAOYSA-N 0 1 248.351 2.078 20 0 BEADMN OCCN1CCC(=Cc2ccccc2F)CC1 ZINC000268248461 183073230 /nfs/dbraw/zinc/07/32/30/183073230.db2.gz BHSLUROEMAIWFY-UHFFFAOYSA-N 0 1 235.302 2.297 20 0 BEADMN OCCN1CCC(c2c(F)cccc2F)CC1 ZINC000336517219 183073359 /nfs/dbraw/zinc/07/33/59/183073359.db2.gz HOOAKSSXHVDEIC-UHFFFAOYSA-N 0 1 241.281 2.137 20 0 BEADMN OCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000336338900 183073379 /nfs/dbraw/zinc/07/33/79/183073379.db2.gz BZTGPRFJFQBKDU-GFCCVEGCSA-N 0 1 246.310 2.347 20 0 BEADMN OCC[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000271783110 183090334 /nfs/dbraw/zinc/09/03/34/183090334.db2.gz PMPHLLJPRQCQIY-WNPFHQFXSA-N 0 1 225.719 2.452 20 0 BEADMN OCC[C@@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000185119968 183090920 /nfs/dbraw/zinc/09/09/20/183090920.db2.gz KFTDEULAUXSYOH-VXGBXAGGSA-N 0 1 221.300 2.401 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000336710042 183093036 /nfs/dbraw/zinc/09/30/36/183093036.db2.gz OTGXGODDFOJHOS-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@@H]1CCCN1Cc1cc(Cl)cs1 ZINC000194354282 183120142 /nfs/dbraw/zinc/12/01/42/183120142.db2.gz AOYBSGDOLBAJHM-VIFPVBQESA-N 0 1 231.748 2.358 20 0 BEADMN OC[C@@H](NCC1CCC1)c1c(F)cccc1F ZINC000272961573 183107154 /nfs/dbraw/zinc/10/71/54/183107154.db2.gz ATPUWKAPFKPWII-GFCCVEGCSA-N 0 1 241.281 2.388 20 0 BEADMN OC[C@@H]1CCN(Cc2ccsc2Cl)C1 ZINC000306330384 183124128 /nfs/dbraw/zinc/12/41/28/183124128.db2.gz BQKJUZQWWHXZOO-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN OC[C@]1(F)CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000291105842 183158028 /nfs/dbraw/zinc/15/80/28/183158028.db2.gz JUYOUTMPZNHKOT-KFWWJZLASA-N 0 1 249.329 2.339 20 0 BEADMN OCc1ccc(CNCc2cccs2)o1 ZINC000077897767 183165312 /nfs/dbraw/zinc/16/53/12/183165312.db2.gz RNNIWLLBWLHLHC-UHFFFAOYSA-N 0 1 223.297 2.123 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1ccc(F)cc1Cl ZINC000335283511 183205291 /nfs/dbraw/zinc/20/52/91/183205291.db2.gz LPSHPLBJVCTOOX-GHMZBOCLSA-N 0 1 229.682 2.092 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(F)ccc1C ZINC000358594961 169075556 /nfs/dbraw/zinc/07/55/56/169075556.db2.gz COKMONQBVMFCAT-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCCN(C)C(=O)c1sccc1CN(C)C ZINC000268022617 169063324 /nfs/dbraw/zinc/06/33/24/169063324.db2.gz JRJQVAOKYWBFLP-UHFFFAOYSA-N 0 1 240.372 2.292 20 0 BEADMN O[C@@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000293074685 183193608 /nfs/dbraw/zinc/19/36/08/183193608.db2.gz JGDYZGYNUOXFSK-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN CCCN(C)Cc1cn2c(n1)CCCC2 ZINC000372994684 169080978 /nfs/dbraw/zinc/08/09/78/169080978.db2.gz FLJJYFZDBUJGQJ-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN O[C@H](CNCc1sccc1Cl)C(F)F ZINC000336683507 183225185 /nfs/dbraw/zinc/22/51/85/183225185.db2.gz JBMOIDMCWOCCRI-ZCFIWIBFSA-N 0 1 241.690 2.117 20 0 BEADMN O[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000061708570 183239033 /nfs/dbraw/zinc/23/90/33/183239033.db2.gz RWYTXJSDXZLEDN-JTQLQIEISA-N 0 1 245.244 2.272 20 0 BEADMN O[C@H]1C[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000294837679 183248042 /nfs/dbraw/zinc/24/80/42/183248042.db2.gz MFUUYJTXTOKABW-OCAPTIKFSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000050103547 183234360 /nfs/dbraw/zinc/23/43/60/183234360.db2.gz CCSZACVSXOOIOS-LBPRGKRZSA-N 0 1 237.368 2.235 20 0 BEADMN O[C@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000293003105 183236011 /nfs/dbraw/zinc/23/60/11/183236011.db2.gz CZLRAJJISJDVTJ-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN CCCN(CC(C)C)C(=O)c1cnc(C)[nH]1 ZINC000264721033 169106417 /nfs/dbraw/zinc/10/64/17/169106417.db2.gz GAHFBYWYFVGIQL-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN CCCN(CC)Cc1occc1C(=O)OC ZINC000299382430 169131155 /nfs/dbraw/zinc/13/11/55/169131155.db2.gz OLQLEVYLAFIUIN-UHFFFAOYSA-N 0 1 225.288 2.298 20 0 BEADMN CCCN(CCC)C(=O)CN1CC=C(C)CC1 ZINC000339660576 169141131 /nfs/dbraw/zinc/14/11/31/169141131.db2.gz YWTXUOWJVRDLED-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN Oc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000293928249 183289974 /nfs/dbraw/zinc/28/99/74/183289974.db2.gz HECQMZTZEDENTF-LLVKDONJSA-N 0 1 209.264 2.326 20 0 BEADMN CCCN(Cc1csc(C)n1)CC(C)(C)O ZINC000336663717 169181574 /nfs/dbraw/zinc/18/15/74/169181574.db2.gz DECCHQSFEYWRSD-UHFFFAOYSA-N 0 1 242.388 2.434 20 0 BEADMN c1cc(-c2noc(CNCC3CC3)n2)cs1 ZINC000036884706 183333807 /nfs/dbraw/zinc/33/38/07/183333807.db2.gz FDEAKCWXEGSIBP-UHFFFAOYSA-N 0 1 235.312 2.298 20 0 BEADMN CCCN1CCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC000361211319 169201085 /nfs/dbraw/zinc/20/10/85/169201085.db2.gz OUGRPSOMWRPLHG-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCCN1CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC000356470120 169201585 /nfs/dbraw/zinc/20/15/85/169201585.db2.gz ZPBBAIYRQHYWQB-QWHCGFSZSA-N 0 1 240.391 2.223 20 0 BEADMN O=c1[nH]ccc2c1CN(CCC(F)(F)F)CC2 ZINC000276888624 183309279 /nfs/dbraw/zinc/30/92/79/183309279.db2.gz FVNOOCQJAVGCCR-UHFFFAOYSA-N 0 1 246.232 2.098 20 0 BEADMN CCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000336686893 169204750 /nfs/dbraw/zinc/20/47/50/169204750.db2.gz WUJHRTGTBFVRHK-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN CCCN1CCOC[C@H]1Cc1ccccc1 ZINC000336686893 169204751 /nfs/dbraw/zinc/20/47/51/169204751.db2.gz WUJHRTGTBFVRHK-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN c1cc(CCCN2CCO[C@@H](C3CC3)C2)ccn1 ZINC000362576435 183337279 /nfs/dbraw/zinc/33/72/79/183337279.db2.gz NYUZMVCAQHYLSC-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN c1cc(CN2CCS[C@H]3CCCC[C@H]32)n[nH]1 ZINC000245724328 183345905 /nfs/dbraw/zinc/34/59/05/183345905.db2.gz IOIBYNYRZHZSHD-NEPJUHHUSA-N 0 1 237.372 2.270 20 0 BEADMN c1cc(CN2CCS[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000245724334 183346174 /nfs/dbraw/zinc/34/61/74/183346174.db2.gz IOIBYNYRZHZSHD-VXGBXAGGSA-N 0 1 237.372 2.270 20 0 BEADMN c1cc(CN2CC[C@@H](CC3CC3)C2)no1 ZINC000339674669 183346238 /nfs/dbraw/zinc/34/62/38/183346238.db2.gz LUHHKZNHMBUNHK-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN c1cc(CN2CC[C@H](CC3CC3)C2)no1 ZINC000339674668 183346802 /nfs/dbraw/zinc/34/68/02/183346802.db2.gz LUHHKZNHMBUNHK-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN c1ncc(CN2CCC[C@H]2c2ccncc2)[nH]1 ZINC000188239874 183359564 /nfs/dbraw/zinc/35/95/64/183359564.db2.gz DCMGMQCYHJBEJE-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN CCCNC(=O)CN(CCC)Cc1ccccc1 ZINC000042977110 169221388 /nfs/dbraw/zinc/22/13/88/169221388.db2.gz HSIBPAZVPZRJKC-UHFFFAOYSA-N 0 1 248.370 2.425 20 0 BEADMN c1cc([C@H]2CCCN2CCc2ccncc2)n[nH]1 ZINC000289406654 183336350 /nfs/dbraw/zinc/33/63/50/183336350.db2.gz OWVBFVDIWSYRCU-CQSZACIVSA-N 0 1 242.326 2.184 20 0 BEADMN c1cc2cc(N[C@H]3CCOC3)ccc2cn1 ZINC000296604580 183374531 /nfs/dbraw/zinc/37/45/31/183374531.db2.gz RPIUBXNZRFXFIJ-ZDUSSCGKSA-N 0 1 214.268 2.436 20 0 BEADMN CCCNC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1 ZINC000122592152 169241436 /nfs/dbraw/zinc/24/14/36/169241436.db2.gz KIVQSNJRXUAXJG-CYBMUJFWSA-N 0 1 248.370 2.342 20 0 BEADMN c1[nH]c(CNC2CC2)nc1-c1ccccc1 ZINC000037476882 183378191 /nfs/dbraw/zinc/37/81/91/183378191.db2.gz GZUXELUNRNLLRR-UHFFFAOYSA-N 0 1 213.284 2.329 20 0 BEADMN CCCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339229251 169243931 /nfs/dbraw/zinc/24/39/31/169243931.db2.gz GJVHZYZNNGOSPO-CQSZACIVSA-N 0 1 248.370 2.423 20 0 BEADMN c1sc(-c2ccccn2)nc1CNC1CC1 ZINC000035054569 183382386 /nfs/dbraw/zinc/38/23/86/183382386.db2.gz KKYSEOIYZXOIMD-UHFFFAOYSA-N 0 1 231.324 2.457 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ccco2)no1 ZINC000070131160 169288401 /nfs/dbraw/zinc/28/84/01/169288401.db2.gz YBBFVKYTOOIGKF-MRVPVSSYSA-N 0 1 221.260 2.390 20 0 BEADMN c1nc(CNCCc2ccccc2)co1 ZINC000274693518 183392824 /nfs/dbraw/zinc/39/28/24/183392824.db2.gz VRRWDEJDLPKYJV-UHFFFAOYSA-N 0 1 202.257 2.007 20 0 BEADMN CCCNCc1nc(-c2ccccc2F)no1 ZINC000054444637 169269263 /nfs/dbraw/zinc/26/92/63/169269263.db2.gz SSHYYPAUIDFLRB-UHFFFAOYSA-N 0 1 235.262 2.375 20 0 BEADMN CCCNCc1csc(N(CC)C(C)=O)n1 ZINC000035018094 169269882 /nfs/dbraw/zinc/26/98/82/169269882.db2.gz PLMMZAXINMAIJX-UHFFFAOYSA-N 0 1 241.360 2.016 20 0 BEADMN c1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000034406421 183397640 /nfs/dbraw/zinc/39/76/40/183397640.db2.gz JOMDFBQUFPBYDS-UHFFFAOYSA-N 0 1 233.311 2.026 20 0 BEADMN CCCOc1ccc(Cl)cc1NC(=O)CN ZINC000037767413 169319135 /nfs/dbraw/zinc/31/91/35/169319135.db2.gz OQZZXUYMWLFLKW-UHFFFAOYSA-N 0 1 242.706 2.026 20 0 BEADMN c1snnc1CN[C@H]1CCc2ccccc2C1 ZINC000051630843 183446350 /nfs/dbraw/zinc/44/63/50/183446350.db2.gz ONXJUUOKFCDVGX-LBPRGKRZSA-N 0 1 245.351 2.185 20 0 BEADMN CCC[C@@H](C)N(C)Cc1ncc(C)cn1 ZINC000336651187 169365792 /nfs/dbraw/zinc/36/57/92/169365792.db2.gz URJLMUBOBFRFAR-LLVKDONJSA-N 0 1 207.321 2.405 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000226914692 169358874 /nfs/dbraw/zinc/35/88/74/169358874.db2.gz VTVCLBMFQDYCPU-PWSUYJOCSA-N 0 1 213.321 2.219 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H](N)c1ccccc1 ZINC000050405258 169377269 /nfs/dbraw/zinc/37/72/69/169377269.db2.gz UPEKOTGIULWOOF-OLZOCXBDSA-N 0 1 234.343 2.381 20 0 BEADMN C[C@H](NCC1=NOCC1)c1cc2cnccc2o1 ZINC001644278298 1172538051 /nfs/dbraw/zinc/53/80/51/1172538051.db2.gz VPVPWAQXUDSFBU-VIFPVBQESA-N 0 1 245.282 2.255 20 0 BEADMN CCC[C@@H]1C[C@H]1NCc1ncc(C)n1C ZINC000336732609 169442686 /nfs/dbraw/zinc/44/26/86/169442686.db2.gz LNMJKUQGUFJHRS-GHMZBOCLSA-N 0 1 207.321 2.007 20 0 BEADMN O=C(Nc1nccs1)c1cccc(F)c1O ZINC000059721915 1172569774 /nfs/dbraw/zinc/56/97/74/1172569774.db2.gz NUSDYTGYAIDQJN-UHFFFAOYSA-N 0 1 238.243 2.240 20 0 BEADMN C=C/C=C\CCNC(=O)c1cccc2nc[nH]c21 ZINC001644685266 1172593231 /nfs/dbraw/zinc/59/32/31/1172593231.db2.gz YOBIJVJMKCOSQQ-ARJAWSKDSA-N 0 1 241.294 2.425 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@@H]1C=CCCC1 ZINC000184534736 134363233 /nfs/dbraw/zinc/36/32/33/134363233.db2.gz NVOVPKPRPKHGOC-NEPJUHHUSA-N 0 1 223.316 2.123 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000184655892 134367502 /nfs/dbraw/zinc/36/75/02/134367502.db2.gz VCTZGHKCZARPMC-XQQFMLRXSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@H](CCCO)NCc1c(F)cccc1F ZINC000087358607 383827126 /nfs/dbraw/zinc/82/71/26/383827126.db2.gz MBSUBMNHVJIZBW-SECBINFHSA-N 0 1 229.270 2.215 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C)nc1 ZINC000087409891 383836809 /nfs/dbraw/zinc/83/68/09/383836809.db2.gz PGRAJSSMHXGZTG-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CC(C)(c1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000647145088 383838928 /nfs/dbraw/zinc/83/89/28/383838928.db2.gz NLJMDYOAVBMREA-VIFPVBQESA-N 0 1 221.304 2.182 20 0 BEADMN CC/C(C)=C\c1nc([C@@H]2CCCN2)no1 ZINC000647144970 383839916 /nfs/dbraw/zinc/83/99/16/383839916.db2.gz KIIGJZUNPLQPGY-FUOZMLNRSA-N 0 1 207.277 2.307 20 0 BEADMN CC/C(C)=C\c1nc([C@H]2CCCN2)no1 ZINC000647144971 383840139 /nfs/dbraw/zinc/84/01/39/383840139.db2.gz KIIGJZUNPLQPGY-UFGYOYAJSA-N 0 1 207.277 2.307 20 0 BEADMN CC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)[nH]1 ZINC000031800270 383840291 /nfs/dbraw/zinc/84/02/91/383840291.db2.gz QSVFRIHOAHDOOU-SSDOTTSWSA-N 0 1 227.333 2.172 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CC2(C)C)c2nccn21 ZINC000293835756 383842166 /nfs/dbraw/zinc/84/21/66/383842166.db2.gz BNYWLCGZVLQILW-KXUCPTDWSA-N 0 1 205.305 2.277 20 0 BEADMN C1=C[C@H](Cc2nc([C@@H]3CCCN3)no2)CCC1 ZINC000647146316 383853569 /nfs/dbraw/zinc/85/35/69/383853569.db2.gz RWZKRQHDRRZDCM-QWRGUYRKSA-N 0 1 233.315 2.393 20 0 BEADMN CC(C)[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647146158 383854517 /nfs/dbraw/zinc/85/45/17/383854517.db2.gz ODVYSTGYNRJKLE-AEJSXWLSSA-N 0 1 221.304 2.254 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000070012834 383858609 /nfs/dbraw/zinc/85/86/09/383858609.db2.gz LRPKHKCXDWGNEP-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN O=C(CN1CCC12CCC2)N1CCCCCC1 ZINC000336432584 383872194 /nfs/dbraw/zinc/87/21/94/383872194.db2.gz YECFBDOMXDCDMV-UHFFFAOYSA-N 0 1 236.359 2.017 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)C1CCC1 ZINC000647143958 383831388 /nfs/dbraw/zinc/83/13/88/383831388.db2.gz HKEAHQXBYNXJQW-SCZZXKLOSA-N 0 1 221.304 2.398 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)C1CCC1 ZINC000647143959 383831407 /nfs/dbraw/zinc/83/14/07/383831407.db2.gz HKEAHQXBYNXJQW-WCBMZHEXSA-N 0 1 221.304 2.398 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCO2)sc1C ZINC000087375569 383833370 /nfs/dbraw/zinc/83/33/70/383833370.db2.gz WLPGMGGWKXEQPT-MWLCHTKSSA-N 0 1 240.372 2.417 20 0 BEADMN COC[C@@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000088599652 383916704 /nfs/dbraw/zinc/91/67/04/383916704.db2.gz GZSHEFKUNGMGFM-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN Cn1cncc1CN[C@H]1CCCc2occc21 ZINC000112340825 383918235 /nfs/dbraw/zinc/91/82/35/383918235.db2.gz GSUKYTDLAAKYII-LBPRGKRZSA-N 0 1 231.299 2.180 20 0 BEADMN CCC[C@@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000647150672 383923124 /nfs/dbraw/zinc/92/31/24/383923124.db2.gz LHMDPHFCJLKTMZ-ZJUUUORDSA-N 0 1 223.320 2.473 20 0 BEADMN CCC[C@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000647150670 383923378 /nfs/dbraw/zinc/92/33/78/383923378.db2.gz LHMDPHFCJLKTMZ-UWVGGRQHSA-N 0 1 223.320 2.473 20 0 BEADMN CCC[C@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000647150671 383924073 /nfs/dbraw/zinc/92/40/73/383924073.db2.gz LHMDPHFCJLKTMZ-VHSXEESVSA-N 0 1 223.320 2.473 20 0 BEADMN CC[C@@H](O)[C@@H](CC)NCc1csc(C)n1 ZINC000313142261 383931264 /nfs/dbraw/zinc/93/12/64/383931264.db2.gz IKKYRBQYIVFSNF-GHMZBOCLSA-N 0 1 228.361 2.091 20 0 BEADMN Cc1cnc(CN[C@H](CO)CC(C)(C)C)s1 ZINC000295908408 383889789 /nfs/dbraw/zinc/88/97/89/383889789.db2.gz ZJNXHGJGWRTEHQ-JTQLQIEISA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H]1C[C@H](Nc2cc3c(cn2)CCC3)CO1 ZINC000647213427 383979412 /nfs/dbraw/zinc/97/94/12/383979412.db2.gz BLUVYTQOQWQSFY-SKDRFNHKSA-N 0 1 218.300 2.160 20 0 BEADMN FC(F)(F)C1CN(CC[C@H]2CCCO2)C1 ZINC000558399497 383982347 /nfs/dbraw/zinc/98/23/47/383982347.db2.gz RJWNFGJIMJWVIT-SECBINFHSA-N 0 1 223.238 2.050 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000558400275 383982847 /nfs/dbraw/zinc/98/28/47/383982847.db2.gz JESVRGYZNSWNMS-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000558400275 383982852 /nfs/dbraw/zinc/98/28/52/383982852.db2.gz JESVRGYZNSWNMS-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@]1(C)COCCN1CCc1cccc(C)n1 ZINC000518526245 383982794 /nfs/dbraw/zinc/98/27/94/383982794.db2.gz QFEKMIZYSOGYDG-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCn2cncc2C1 ZINC000569416421 383997306 /nfs/dbraw/zinc/99/73/06/383997306.db2.gz URQBELVGSIRPQF-NSHDSACASA-N 0 1 247.367 2.391 20 0 BEADMN CN(Cc1ccccn1)C[C@H](O)c1ccccc1 ZINC000037694038 383997370 /nfs/dbraw/zinc/99/73/70/383997370.db2.gz JPOHWKBBAOGRNI-HNNXBMFYSA-N 0 1 242.322 2.247 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnn[n-]1 ZINC000401762705 383958203 /nfs/dbraw/zinc/95/82/03/383958203.db2.gz SPXBMEJJQIBSAI-GHMZBOCLSA-N 0 1 222.336 2.111 20 0 BEADMN C[C@@H](NCC(=O)N(C)C)c1cc2ccccc2o1 ZINC000037207908 383960432 /nfs/dbraw/zinc/96/04/32/383960432.db2.gz NKQOUAVGQAPOBL-SNVBAGLBSA-N 0 1 246.310 2.172 20 0 BEADMN CCc1cnc(CN[C@@H](CC)[C@H](O)CC)s1 ZINC000313152726 383961624 /nfs/dbraw/zinc/96/16/24/383961624.db2.gz AHJRVEIEDNSIMT-WDEREUQCSA-N 0 1 242.388 2.345 20 0 BEADMN C[C@H](NC[C@@H]1CCCCO1)c1nccs1 ZINC000070733078 383962578 /nfs/dbraw/zinc/96/25/78/383962578.db2.gz OUGRQODZSNGARK-UWVGGRQHSA-N 0 1 226.345 2.363 20 0 BEADMN CC(C)(C)NCc1ncc(C2OCCO2)s1 ZINC000290300013 383962720 /nfs/dbraw/zinc/96/27/20/383962720.db2.gz HTZYFXYYORSLMW-UHFFFAOYSA-N 0 1 242.344 2.077 20 0 BEADMN CCc1cnc(CN[C@@H](CC)[C@@H](O)CC)s1 ZINC000313152723 383963757 /nfs/dbraw/zinc/96/37/57/383963757.db2.gz AHJRVEIEDNSIMT-QWRGUYRKSA-N 0 1 242.388 2.345 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)c(C)[nH]1 ZINC000647152295 383966523 /nfs/dbraw/zinc/96/65/23/383966523.db2.gz AHOACJZHHONMBU-JTQLQIEISA-N 0 1 232.287 2.106 20 0 BEADMN CC(C)[C@@](C)(O)CN[C@H](C)c1nccs1 ZINC000091723806 384022855 /nfs/dbraw/zinc/02/28/55/384022855.db2.gz ZTZYHLVBOSUCJO-KOLCDFICSA-N 0 1 228.361 2.201 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000518560472 384009784 /nfs/dbraw/zinc/00/97/84/384009784.db2.gz ADHLDWOQDWZHGD-WCFLWFBJSA-N 0 1 240.391 2.268 20 0 BEADMN CN(Cc1cn2ccccc2n1)[C@H]1CCSC1 ZINC000089936398 384012978 /nfs/dbraw/zinc/01/29/78/384012978.db2.gz BOIADHLMYVEAJY-LBPRGKRZSA-N 0 1 247.367 2.272 20 0 BEADMN C(=C\c1cccnc1)\c1nc([C@H]2CCCN2)no1 ZINC000647156642 384042740 /nfs/dbraw/zinc/04/27/40/384042740.db2.gz JZHKMGBSTOXDGR-ISALQUGTSA-N 0 1 242.282 2.060 20 0 BEADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1N ZINC000647156688 384043395 /nfs/dbraw/zinc/04/33/95/384043395.db2.gz LPCPYCZJASELSJ-LLVKDONJSA-N 0 1 244.298 2.052 20 0 BEADMN CC(C)CCCNc1ncnc2[nH]cnc21 ZINC000037987114 384049113 /nfs/dbraw/zinc/04/91/13/384049113.db2.gz HJHAMMSADLLTRB-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN CN(Cc1cccc(Cl)n1)C[C@H]1CCCO1 ZINC000075641426 384049695 /nfs/dbraw/zinc/04/96/95/384049695.db2.gz UUIOWHAJSWJGFK-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN C(=C\c1nc([C@H]2CCCN2)no1)\c1ccco1 ZINC000647155693 384033278 /nfs/dbraw/zinc/03/32/78/384033278.db2.gz FBGDGZAVPVALAO-WWQCOOJYSA-N 0 1 231.255 2.258 20 0 BEADMN CCN(CC1CC1)C(=O)[C@](C)(N)c1ccccc1 ZINC000069238228 384035875 /nfs/dbraw/zinc/03/58/75/384035875.db2.gz AYUYEQUBIIBBQT-OAHLLOKOSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@H](CC1CCOCC1)NC(CF)CF ZINC000449380184 384090244 /nfs/dbraw/zinc/09/02/44/384090244.db2.gz LZMXWRFUDHOSMP-SECBINFHSA-N 0 1 221.291 2.089 20 0 BEADMN CCN(CC1CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000069747802 384061011 /nfs/dbraw/zinc/06/10/11/384061011.db2.gz RGVUUCXPSDNEOH-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000069793828 384063990 /nfs/dbraw/zinc/06/39/90/384063990.db2.gz JSMKFSXTAHYPPH-UHFFFAOYSA-N 0 1 219.332 2.286 20 0 BEADMN COC[C@H](NCc1ncccc1Cl)C1CC1 ZINC000528442305 384075977 /nfs/dbraw/zinc/07/59/77/384075977.db2.gz XRRBTQZNHTWPDB-LBPRGKRZSA-N 0 1 240.734 2.250 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1cnccn1 ZINC000070479564 384114265 /nfs/dbraw/zinc/11/42/65/384114265.db2.gz GVXLIZFOGCOTLM-LBPRGKRZSA-N 0 1 237.347 2.190 20 0 BEADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)[O-] ZINC000116325859 384128133 /nfs/dbraw/zinc/12/81/33/384128133.db2.gz KZDSSDJHTNOXRR-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN CN(Cc1cnc(Cl)s1)C[C@@H]1CCOC1 ZINC000079328477 384130042 /nfs/dbraw/zinc/13/00/42/384130042.db2.gz NDXHPBFSZAAYBG-QMMMGPOBSA-N 0 1 246.763 2.265 20 0 BEADMN CN(Cc1cnc(Cl)s1)C[C@H]1CCOC1 ZINC000079328481 384131075 /nfs/dbraw/zinc/13/10/75/384131075.db2.gz NDXHPBFSZAAYBG-MRVPVSSYSA-N 0 1 246.763 2.265 20 0 BEADMN c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH]n1 ZINC000530492703 384151320 /nfs/dbraw/zinc/15/13/20/384151320.db2.gz KGYOYTMDABFKQY-FPMFFAJLSA-N 0 1 249.358 2.095 20 0 BEADMN CCCCN(CC(N)=O)Cc1cccc(C)c1C ZINC000091950355 384156916 /nfs/dbraw/zinc/15/69/16/384156916.db2.gz OWXPWBVNDYYEOQ-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000117344533 384172041 /nfs/dbraw/zinc/17/20/41/384172041.db2.gz ZAVMYYUHLQQCJX-NSHDSACASA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@H]1CCCN(Cc2ncc[nH]2)CC1 ZINC000117344533 384172043 /nfs/dbraw/zinc/17/20/43/384172043.db2.gz ZAVMYYUHLQQCJX-NSHDSACASA-N 0 1 207.321 2.422 20 0 BEADMN CS[C@H]1CCCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092064306 384162016 /nfs/dbraw/zinc/16/20/16/384162016.db2.gz LYLHVDSGHNDJLO-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN CS[C@H]1CCCCN(Cc2cc[nH]n2)C1 ZINC000092064306 384162024 /nfs/dbraw/zinc/16/20/24/384162024.db2.gz LYLHVDSGHNDJLO-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN CCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CCC1 ZINC000336573891 384162546 /nfs/dbraw/zinc/16/25/46/384162546.db2.gz ORZAGZIOFVLVFW-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COCC1(N[C@H](C)c2cn3ccccc3n2)CC1 ZINC000572616891 384168987 /nfs/dbraw/zinc/16/89/87/384168987.db2.gz IYUYLOOVJYVYRI-LLVKDONJSA-N 0 1 245.326 2.164 20 0 BEADMN CN(CC[NH+](C)C)Cc1cccc([O-])c1Cl ZINC000294026474 384206365 /nfs/dbraw/zinc/20/63/65/384206365.db2.gz VHSBEXJKMIGFHZ-UHFFFAOYSA-N 0 1 242.750 2.039 20 0 BEADMN CCCCN(CC)C(=O)c1coc(CN)c1 ZINC000187200416 384195310 /nfs/dbraw/zinc/19/53/10/384195310.db2.gz CVUBHNIFRAYCKQ-UHFFFAOYSA-N 0 1 224.304 2.001 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000082551731 384237484 /nfs/dbraw/zinc/23/74/84/384237484.db2.gz WYONUFHXXQJIGU-LBPRGKRZSA-N 0 1 219.284 2.080 20 0 BEADMN Cc1[nH]ncc1C[N@H+]1CCC2(CCC2)C1 ZINC000093456017 384240609 /nfs/dbraw/zinc/24/06/09/384240609.db2.gz WFYSGWYLHDNACU-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN COC[C@@H](C)N1CCc2cc(F)ccc2C1 ZINC000119003819 384223724 /nfs/dbraw/zinc/22/37/24/384223724.db2.gz HLKZDQRKSLHQNO-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN Cc1[nH]ncc1CNc1cc(C)cc(N)c1 ZINC000166987989 384240661 /nfs/dbraw/zinc/24/06/61/384240661.db2.gz GMSMXSSWPOMJFI-UHFFFAOYSA-N 0 1 216.288 2.221 20 0 BEADMN C[C@@H]1SCCN(Cc2ccc(CO)o2)[C@H]1C ZINC000093500994 384245464 /nfs/dbraw/zinc/24/54/64/384245464.db2.gz JVUFQMDIWWDCHL-UWVGGRQHSA-N 0 1 241.356 2.098 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1Cc1cncs1 ZINC000093499866 384246191 /nfs/dbraw/zinc/24/61/91/384246191.db2.gz BWRFQPCCRXSCPZ-BDAKNGLRSA-N 0 1 228.386 2.469 20 0 BEADMN COC(C)(C)C[C@H](C)NCc1cscn1 ZINC000082626032 384249212 /nfs/dbraw/zinc/24/92/12/384249212.db2.gz JVXRTBCQZDHGPJ-VIFPVBQESA-N 0 1 228.361 2.436 20 0 BEADMN CCN(C(=O)c1coc(CN)c1)C1CCCC1 ZINC000187377936 384249411 /nfs/dbraw/zinc/24/94/11/384249411.db2.gz GVIYEXWTBXIHNY-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000569566764 384252043 /nfs/dbraw/zinc/25/20/43/384252043.db2.gz DDQFLPISCGDQEE-WISYIIOYSA-N 0 1 247.342 2.330 20 0 BEADMN CCc1ccc(CN2CC[N@H+](C)C[C@@H]2CC)o1 ZINC000560614284 384255540 /nfs/dbraw/zinc/25/55/40/384255540.db2.gz AQHCJJIKDQWEDU-LBPRGKRZSA-N 0 1 236.359 2.368 20 0 BEADMN CCc1ccc(CN2CCN(C)C[C@@H]2CC)o1 ZINC000560614284 384255562 /nfs/dbraw/zinc/25/55/62/384255562.db2.gz AQHCJJIKDQWEDU-LBPRGKRZSA-N 0 1 236.359 2.368 20 0 BEADMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccsc1 ZINC000082681153 384256279 /nfs/dbraw/zinc/25/62/79/384256279.db2.gz GISYUAIDTSRHBD-HTRCEHHLSA-N 0 1 239.262 2.322 20 0 BEADMN CC[C@@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000313324621 384261747 /nfs/dbraw/zinc/26/17/47/384261747.db2.gz MWZNYIPONBBBNU-OCCSQVGLSA-N 0 1 246.354 2.206 20 0 BEADMN Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336629915 384267969 /nfs/dbraw/zinc/26/79/69/384267969.db2.gz WRZOYZOCDTZUOS-TZMCWYRMSA-N 0 1 249.358 2.027 20 0 BEADMN COCc1ccc(CNCc2conc2C)cc1 ZINC000294045119 384269093 /nfs/dbraw/zinc/26/90/93/384269093.db2.gz IYBZJOISGTWWCE-UHFFFAOYSA-N 0 1 246.310 2.419 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1c[nH]cn1 ZINC000093870957 384276779 /nfs/dbraw/zinc/27/67/79/384276779.db2.gz BNLXOFJCZSQJJE-JTQLQIEISA-N 0 1 227.377 2.373 20 0 BEADMN CCOCCN(CC)[C@@H](C)c1cnc(C)cn1 ZINC000428242763 384303905 /nfs/dbraw/zinc/30/39/05/384303905.db2.gz WNAXXTSJYIBEFG-LBPRGKRZSA-N 0 1 237.347 2.204 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426889145 384303961 /nfs/dbraw/zinc/30/39/61/384303961.db2.gz CXCSFJBXVHTBHY-AAEUAGOBSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@](C)(O)CN[C@H](C)c1csc(C)n1 ZINC000083462010 384305773 /nfs/dbraw/zinc/30/57/73/384305773.db2.gz ZZQDWMJLPGIFNM-KCJUWKMLSA-N 0 1 228.361 2.263 20 0 BEADMN c1cn(CC[N@H+]2CCc3ccsc3C2)cn1 ZINC000133756409 384310143 /nfs/dbraw/zinc/31/01/43/384310143.db2.gz OOKPGDVDHBJIQB-UHFFFAOYSA-N 0 1 233.340 2.003 20 0 BEADMN CCC1(C(=O)NCc2cn[nH]c2C)CCCC1 ZINC000094905579 384315765 /nfs/dbraw/zinc/31/57/65/384315765.db2.gz MZPFANNKAZQIJW-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000336634539 384283026 /nfs/dbraw/zinc/28/30/26/384283026.db2.gz CVZJNGCIDSRILI-WCQYABFASA-N 0 1 219.332 2.483 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000336634540 384284049 /nfs/dbraw/zinc/28/40/49/384284049.db2.gz CVZJNGCIDSRILI-YPMHNXCESA-N 0 1 219.332 2.483 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)s1 ZINC000083403986 384295670 /nfs/dbraw/zinc/29/56/70/384295670.db2.gz HBEZCQRCXRMTGK-LLVKDONJSA-N 0 1 239.340 2.414 20 0 BEADMN CC[C@@H](COC)N[C@H](C)c1cc(C)on1 ZINC000282489996 384295987 /nfs/dbraw/zinc/29/59/87/384295987.db2.gz HQRIEAVZZWEGMH-ZJUUUORDSA-N 0 1 212.293 2.059 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000083406769 384298168 /nfs/dbraw/zinc/29/81/68/384298168.db2.gz GSCVLCBHGOBLRY-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN CCCCCNC(=O)c1cccc2nc[nH]c21 ZINC000074732423 384302474 /nfs/dbraw/zinc/30/24/74/384302474.db2.gz RBSMKRFDPCCGDZ-UHFFFAOYSA-N 0 1 231.299 2.483 20 0 BEADMN C[C@H](NCc1ccc(F)cc1)c1cnn(C)c1 ZINC000044494699 384335308 /nfs/dbraw/zinc/33/53/08/384335308.db2.gz SFUFBYNNUNVUOX-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN C[C@H](O)CCN(C)Cc1cccc(F)c1F ZINC000075782205 384338359 /nfs/dbraw/zinc/33/83/59/384338359.db2.gz VKYHRDJAFVEHBJ-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN CN(Cc1cc(Cl)cn1C)C[C@H]1CCCO1 ZINC000120259059 384341003 /nfs/dbraw/zinc/34/10/03/384341003.db2.gz LXNGTEKTGCGYFE-GFCCVEGCSA-N 0 1 242.750 2.289 20 0 BEADMN Cc1cccc(CNC(=O)CN(C)C2CCC2)c1 ZINC000075842274 384341169 /nfs/dbraw/zinc/34/11/69/384341169.db2.gz PBDLAJWGPKJXKQ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CN(Cc1nnc(-c2ccco2)o1)C1CCC1 ZINC000075841238 384342645 /nfs/dbraw/zinc/34/26/45/384342645.db2.gz GLTPLRSOYVSSQY-UHFFFAOYSA-N 0 1 233.271 2.314 20 0 BEADMN FC(F)O[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000558866146 384345340 /nfs/dbraw/zinc/34/53/40/384345340.db2.gz REROZMPGQAWKLU-LURJTMIESA-N 0 1 233.180 2.252 20 0 BEADMN FC(F)O[C@H]1CCN(CCC(F)(F)F)C1 ZINC000558866146 384345343 /nfs/dbraw/zinc/34/53/43/384345343.db2.gz REROZMPGQAWKLU-LURJTMIESA-N 0 1 233.180 2.252 20 0 BEADMN COc1cc(C)nc(CN2CC[C@@H]2C2CC2)c1 ZINC000449425975 384330174 /nfs/dbraw/zinc/33/01/74/384330174.db2.gz JTIJFRFUTMNVCF-CQSZACIVSA-N 0 1 232.327 2.383 20 0 BEADMN CC1(C)CCCN(Cc2cnc3cnccn23)C1 ZINC000121130656 384397829 /nfs/dbraw/zinc/39/78/29/384397829.db2.gz LXUQQOOEVPBNHG-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN Cc1[nH]ncc1C[N@@H+]1CCCC(C)(C)C1 ZINC000121152429 384401451 /nfs/dbraw/zinc/40/14/51/384401451.db2.gz WUSQBQMSGLCGKU-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN COc1ccccc1/C=C\C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000560927957 384415125 /nfs/dbraw/zinc/41/51/25/384415125.db2.gz SWPXIUKSABXNKP-JYKYSHPRSA-N 0 1 249.310 2.113 20 0 BEADMN CC(C)C[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000135148857 384417556 /nfs/dbraw/zinc/41/75/56/384417556.db2.gz FAMSMOIJIMCCHA-GFCCVEGCSA-N 0 1 248.374 2.317 20 0 BEADMN Cc1ccoc1CN[C@H]1CCCc2c1cnn2C ZINC000135147249 384417701 /nfs/dbraw/zinc/41/77/01/384417701.db2.gz JVVAARQBCWVGOG-LBPRGKRZSA-N 0 1 245.326 2.489 20 0 BEADMN Cn1nc(CN2CC(C3CC3)C2)c2ccccc21 ZINC000643345641 384422490 /nfs/dbraw/zinc/42/24/90/384422490.db2.gz CVKFHVGBLMAZAM-UHFFFAOYSA-N 0 1 241.338 2.415 20 0 BEADMN c1nc2ccccn2c1CN1CC(C2CC2)C1 ZINC000643345773 384424047 /nfs/dbraw/zinc/42/40/47/384424047.db2.gz LKXGAXRNFHZEFQ-UHFFFAOYSA-N 0 1 227.311 2.176 20 0 BEADMN CCCn1cc(CN2CC(C3CC3)C2)cn1 ZINC000643345277 384376955 /nfs/dbraw/zinc/37/69/55/384376955.db2.gz MHFPESCCIQTILB-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1nc2ccccc2s1 ZINC000334208938 384391162 /nfs/dbraw/zinc/39/11/62/384391162.db2.gz CWSADESPHJIPBK-ZJUUUORDSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H](NC(=O)C=CC1CCCCC1)c1nnc[nH]1 ZINC000255202855 384449454 /nfs/dbraw/zinc/44/94/54/384449454.db2.gz BSHAVVBOPWUMFS-DMEOUFDRSA-N 0 1 248.330 2.118 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000516799386 384452265 /nfs/dbraw/zinc/45/22/65/384452265.db2.gz VRUAMKKCLNXSOB-SKDRFNHKSA-N 0 1 247.342 2.134 20 0 BEADMN CC/C=C(\C)C(=O)Nc1c(C)n[nH]c1C ZINC000036734070 384455807 /nfs/dbraw/zinc/45/58/07/384455807.db2.gz GGTFEHYKFHIGPB-VOTSOKGWSA-N 0 1 207.277 2.321 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@@H]1CCCCS1)CC2 ZINC000334357008 384455804 /nfs/dbraw/zinc/45/58/04/384455804.db2.gz OTRNOWPYWQFNCH-WDEREUQCSA-N 0 1 237.372 2.203 20 0 BEADMN CC/C=C/CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000516932388 384429948 /nfs/dbraw/zinc/42/99/48/384429948.db2.gz MNGUOBTYGDGYPO-UFFNRZRYSA-N 0 1 243.372 2.235 20 0 BEADMN CC[C@@H](C)CN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000121643787 384430078 /nfs/dbraw/zinc/43/00/78/384430078.db2.gz KBWIDFVOAANRAG-OCCSQVGLSA-N 0 1 246.354 2.206 20 0 BEADMN Cc1ccc(CN[C@H]2CCC[C@H]2F)nc1 ZINC000334328265 384436713 /nfs/dbraw/zinc/43/67/13/384436713.db2.gz MQWRMMINCQACRP-NEPJUHHUSA-N 0 1 208.280 2.370 20 0 BEADMN CC(C)CC[C@@H](C)NCc1csnn1 ZINC000036902009 384461530 /nfs/dbraw/zinc/46/15/30/384461530.db2.gz ACTWHOUWXZRJKG-SECBINFHSA-N 0 1 213.350 2.452 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC(C)(C)O ZINC000078777961 384461861 /nfs/dbraw/zinc/46/18/61/384461861.db2.gz PWTXPLWVDZQQIK-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN C[C@@H](O)CCNCc1c(F)cccc1Cl ZINC000078780905 384464911 /nfs/dbraw/zinc/46/49/11/384464911.db2.gz QRYLIHARUMHJCO-MRVPVSSYSA-N 0 1 231.698 2.340 20 0 BEADMN FC1(F)CCC[C@@H]1CN[C@H]1CCn2ccnc21 ZINC000335662673 384466753 /nfs/dbraw/zinc/46/67/53/384466753.db2.gz KOXWCQDFZXHLBX-ZJUUUORDSA-N 0 1 241.285 2.353 20 0 BEADMN COC(=O)[C@H]1CCCN1Cc1c(C)cccc1C ZINC000096811106 384479362 /nfs/dbraw/zinc/47/93/62/384479362.db2.gz JQTFRJAVSDXNMF-CQSZACIVSA-N 0 1 247.338 2.441 20 0 BEADMN CC[N@@H+](CCOC)Cc1ccc2[nH]cnc2c1 ZINC000556793890 384483714 /nfs/dbraw/zinc/48/37/14/384483714.db2.gz TUILDXGVAWIIPT-UHFFFAOYSA-N 0 1 233.315 2.031 20 0 BEADMN CC[N@H+](CCOC)Cc1ccc2nc[nH]c2c1 ZINC000556793890 384483718 /nfs/dbraw/zinc/48/37/18/384483718.db2.gz TUILDXGVAWIIPT-UHFFFAOYSA-N 0 1 233.315 2.031 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000270209687 384500656 /nfs/dbraw/zinc/50/06/56/384500656.db2.gz INLCKOFQHYAEQW-ZYHUDNBSSA-N 0 1 233.315 2.205 20 0 BEADMN C(N[C@@H]1CCSC1)c1noc2c1CCCC2 ZINC000290279692 384503463 /nfs/dbraw/zinc/50/34/63/384503463.db2.gz YXVNSSWAGRHMLW-SECBINFHSA-N 0 1 238.356 2.149 20 0 BEADMN COC(CN(C)[C@H](C)c1cccc(O)c1)OC ZINC000136793567 384509495 /nfs/dbraw/zinc/50/94/95/384509495.db2.gz ZGASLQSVAAWDMD-SNVBAGLBSA-N 0 1 239.315 2.004 20 0 BEADMN CCc1ccccc1CNCc1cncnc1 ZINC000084200283 384486355 /nfs/dbraw/zinc/48/63/55/384486355.db2.gz MUFWRVAYRKCJGR-UHFFFAOYSA-N 0 1 227.311 2.329 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@H](C)C2)o1 ZINC000122576385 384493234 /nfs/dbraw/zinc/49/32/34/384493234.db2.gz SJMDYILTVXCMTN-VHSXEESVSA-N 0 1 208.305 2.461 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000122847477 384514190 /nfs/dbraw/zinc/51/41/90/384514190.db2.gz SPQZCGMVTNHRQK-WDEREUQCSA-N 0 1 249.358 2.223 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000238159503 384516864 /nfs/dbraw/zinc/51/68/64/384516864.db2.gz WVUUCWKBRBDSJB-ZDUSSCGKSA-N 0 1 233.311 2.341 20 0 BEADMN COC(CN(C)Cc1cccc(Cl)c1)OC ZINC000085351302 384518212 /nfs/dbraw/zinc/51/82/12/384518212.db2.gz HWECBQNXXJXUKS-UHFFFAOYSA-N 0 1 243.734 2.391 20 0 BEADMN C[C@H](NC1CCC(C)(C)CC1)c1ncn(C)n1 ZINC000335863833 384526390 /nfs/dbraw/zinc/52/63/90/384526390.db2.gz RIYKXXRODWXNPA-JTQLQIEISA-N 0 1 236.363 2.435 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000176023105 384527415 /nfs/dbraw/zinc/52/74/15/384527415.db2.gz PHBSJIRHNNXUPA-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1C[C@H]1C ZINC000085494752 384528062 /nfs/dbraw/zinc/52/80/62/384528062.db2.gz SWCILJVUAZOETN-OUAUKWLOSA-N 0 1 227.348 2.304 20 0 BEADMN CSCCCNC(=O)c1n[nH]c2ccccc21 ZINC000080116382 384530903 /nfs/dbraw/zinc/53/09/03/384530903.db2.gz GTYMPAUHOQXMPF-UHFFFAOYSA-N 0 1 249.339 2.046 20 0 BEADMN CCCCN(C)C(=O)c1ccc(F)cc1O ZINC000123264507 384543766 /nfs/dbraw/zinc/54/37/66/384543766.db2.gz AVRPZJIYXCLPKL-UHFFFAOYSA-N 0 1 225.263 2.403 20 0 BEADMN CC[C@](C)(O)CN(C)Cc1nc2ccccc2o1 ZINC000161927361 384545338 /nfs/dbraw/zinc/54/53/38/384545338.db2.gz KDXQLCWIOJWDCF-AWEZNQCLSA-N 0 1 248.326 2.421 20 0 BEADMN CCC[C@@H](O)CNCc1c(F)cccc1F ZINC000123284302 384545692 /nfs/dbraw/zinc/54/56/92/384545692.db2.gz FCGLXYKGFQIHSS-SECBINFHSA-N 0 1 229.270 2.215 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ncccc2[O-])[C@@H](C)[C@H]1C ZINC000517900923 384561904 /nfs/dbraw/zinc/56/19/04/384561904.db2.gz VIYFUYVIIBRMEI-VWYCJHECSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ncccc2[O-])[C@@H](C)[C@H]1C ZINC000517900923 384561912 /nfs/dbraw/zinc/56/19/12/384561912.db2.gz VIYFUYVIIBRMEI-VWYCJHECSA-N 0 1 220.316 2.264 20 0 BEADMN CC(C)(C)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000172298501 384562584 /nfs/dbraw/zinc/56/25/84/384562584.db2.gz HVAKPLXXAHNQIJ-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1ncnn1C ZINC000123614771 384574588 /nfs/dbraw/zinc/57/45/88/384574588.db2.gz PVJRURYFCWGZKC-LBPRGKRZSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1nc(C)c(CNCc2cccnc2)s1 ZINC000080706534 384576001 /nfs/dbraw/zinc/57/60/01/384576001.db2.gz RFNSQUIAIDSYBE-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1ccc([C@@H](C)NCCNC(=O)C(C)C)o1 ZINC000020125258 384581530 /nfs/dbraw/zinc/58/15/30/384581530.db2.gz DDMCXORBMKECBK-LLVKDONJSA-N 0 1 238.331 2.011 20 0 BEADMN CCc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000184284894 384589583 /nfs/dbraw/zinc/58/95/83/384589583.db2.gz HDKFQPJSEOYKDX-LSYCYVAJSA-N 0 1 243.372 2.260 20 0 BEADMN CC(C)N(CCO)Cc1cc(F)ccc1F ZINC000050103891 384589881 /nfs/dbraw/zinc/58/98/81/384589881.db2.gz TXNGBLTYXIOQGB-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CC(C)C[C@H](C)NC(=O)c1cnccc1N(C)C ZINC000184091326 384567061 /nfs/dbraw/zinc/56/70/61/384567061.db2.gz DBTYMPLMNMXHGE-NSHDSACASA-N 0 1 249.358 2.312 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cscn1)C(C)C ZINC000271148214 384567123 /nfs/dbraw/zinc/56/71/23/384567123.db2.gz PUDGLWAHDNTTCO-ONGXEEELSA-N 0 1 228.361 2.465 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCSc1ccccc1 ZINC000086100371 384607713 /nfs/dbraw/zinc/60/77/13/384607713.db2.gz AJAUFEAIRLLXIR-JTQLQIEISA-N 0 1 239.340 2.184 20 0 BEADMN O=C(c1ccc(F)cc1O)N1C[C@H]2CCC[C@@H]2C1 ZINC000124097642 384613861 /nfs/dbraw/zinc/61/38/61/384613861.db2.gz CALFRXLEQBRWHI-NXEZZACHSA-N 0 1 249.285 2.403 20 0 BEADMN CC(C)(CCn1cc(CNC2CC2)nn1)C1CC1 ZINC000405949794 384596042 /nfs/dbraw/zinc/59/60/42/384596042.db2.gz FEJILNYWLUKOIV-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccco1 ZINC000309770391 384599543 /nfs/dbraw/zinc/59/95/43/384599543.db2.gz OLQREIPEYOIMOH-APPZFPTMSA-N 0 1 237.221 2.244 20 0 BEADMN C[C@@H]1C[C@H](O)CCN1Cc1ccccc1F ZINC000169169501 384663144 /nfs/dbraw/zinc/66/31/44/384663144.db2.gz MLSVKDSDDNSLIU-ZYHUDNBSSA-N 0 1 223.291 2.171 20 0 BEADMN CO[C@@H](C)c1nc(CNC(C)C)cs1 ZINC000086590466 384666284 /nfs/dbraw/zinc/66/62/84/384666284.db2.gz JOETYMYSJLKSPY-QMMMGPOBSA-N 0 1 214.334 2.349 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1C[C@H]1C(C)C ZINC000184981322 384669457 /nfs/dbraw/zinc/66/94/57/384669457.db2.gz YQRDOHLCUSMIJI-STQMWFEESA-N 0 1 249.358 2.059 20 0 BEADMN CCN(C(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000082323392 384669685 /nfs/dbraw/zinc/66/96/85/384669685.db2.gz HRMRPCGWABDINO-ZDUSSCGKSA-N 0 1 232.327 2.134 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000042295965 384638967 /nfs/dbraw/zinc/63/89/67/384638967.db2.gz BTNBSYWLUHFFTI-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccc([C@H]2CCCCN2CC(N)=O)cc1 ZINC000124515717 384650405 /nfs/dbraw/zinc/65/04/05/384650405.db2.gz DNHBYHOTNKIFSE-CYBMUJFWSA-N 0 1 232.327 2.007 20 0 BEADMN Cc1cccc2nc(-c3csnn3)[nH]c21 ZINC000088300226 384652381 /nfs/dbraw/zinc/65/23/81/384652381.db2.gz MKECHRKXHDTXIW-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN C[C@H](NC1CC1)c1cc2n(n1)CCCC2 ZINC000647280083 384653278 /nfs/dbraw/zinc/65/32/78/384653278.db2.gz RJNGKMZGTLDYCA-VIFPVBQESA-N 0 1 205.305 2.032 20 0 BEADMN C1[C@H]2CC[C@@H](c3nc([C@@H]4CCCN4)no3)C[C@@H]12 ZINC000403399303 384653479 /nfs/dbraw/zinc/65/34/79/384653479.db2.gz SHWZMCGBPUXRHM-DBIOUOCHSA-N 0 1 233.315 2.398 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@H]2C)n[nH]1 ZINC000173158400 384659033 /nfs/dbraw/zinc/65/90/33/384659033.db2.gz BWKMFULIAZGDEK-SECBINFHSA-N 0 1 221.304 2.158 20 0 BEADMN C[C@@H](NCCC1CCOCC1)c1ccon1 ZINC000309840815 384660665 /nfs/dbraw/zinc/66/06/65/384660665.db2.gz OZGOYFMERIDALA-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN C[C@H](NC[C@@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647280312 384662659 /nfs/dbraw/zinc/66/26/59/384662659.db2.gz FJCKROZSZIJCHQ-AAEUAGOBSA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H](F)CN[C@@H](CO)c1ccc(F)cc1 ZINC000309936585 384726314 /nfs/dbraw/zinc/72/63/14/384726314.db2.gz AFQHGKNNSXBJJH-JQWIXIFHSA-N 0 1 229.270 2.197 20 0 BEADMN CCCc1csc(CNC[C@@H]2CCCO2)n1 ZINC000309890602 384688832 /nfs/dbraw/zinc/68/88/32/384688832.db2.gz CHZPWUZBBCUACJ-NSHDSACASA-N 0 1 240.372 2.364 20 0 BEADMN C[C@H](O)CN(C)Cc1cc(-c2ccccc2)no1 ZINC000051838201 384694418 /nfs/dbraw/zinc/69/44/18/384694418.db2.gz VDYZCEUXIBYCNW-NSHDSACASA-N 0 1 246.310 2.154 20 0 BEADMN CCCc1csc(CNC[C@@](C)(O)CC)n1 ZINC000309914650 384709687 /nfs/dbraw/zinc/70/96/87/384709687.db2.gz OPWIPPYKKJVGSW-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1ccc2nc(CN[C@@H]3CC34CC4)cn2c1 ZINC000335279380 384710311 /nfs/dbraw/zinc/71/03/11/384710311.db2.gz FKAGMHJQKVTYTF-GFCCVEGCSA-N 0 1 227.311 2.285 20 0 BEADMN COC[C@@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009869 384717525 /nfs/dbraw/zinc/71/75/25/384717525.db2.gz SBRFWEATKIXKBC-NWDGAFQWSA-N 0 1 238.331 2.402 20 0 BEADMN CCc1noc(CC)c1CN[C@@H]1CO[C@H](C)C1 ZINC000647191223 384719915 /nfs/dbraw/zinc/71/99/15/384719915.db2.gz HXSDSZBEMCOJPZ-ZJUUUORDSA-N 0 1 238.331 2.066 20 0 BEADMN CCS[C@H]1CCC[C@@H]1NCc1ncccn1 ZINC000300380401 384731585 /nfs/dbraw/zinc/73/15/85/384731585.db2.gz DDSBTKBWDPTUHJ-QWRGUYRKSA-N 0 1 237.372 2.240 20 0 BEADMN CO[C@@H]1CN(Cc2cc(C)ns2)CC[C@H]1C ZINC000643892298 384733346 /nfs/dbraw/zinc/73/33/46/384733346.db2.gz WEIMIEFEZHYLEI-BXKDBHETSA-N 0 1 240.372 2.308 20 0 BEADMN CCC[C@H](C)NCc1ncnn1C(C)(C)C ZINC000309690213 384733686 /nfs/dbraw/zinc/73/36/86/384733686.db2.gz IXUUZMULZIWZDE-JTQLQIEISA-N 0 1 224.352 2.311 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1c1ncnc2[nH]cnc21 ZINC000271488359 384735992 /nfs/dbraw/zinc/73/59/92/384735992.db2.gz VKVXYYHPMJFNGI-BDAKNGLRSA-N 0 1 231.303 2.120 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](C)[C@@H]2CC)n1 ZINC000185621162 384748572 /nfs/dbraw/zinc/74/85/72/384748572.db2.gz LVPYMOQKYKJYMJ-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)n1 ZINC000185621162 384748578 /nfs/dbraw/zinc/74/85/78/384748578.db2.gz LVPYMOQKYKJYMJ-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@](N)(C(=O)N1CCCCCC1)c1ccccc1 ZINC000052880991 384753159 /nfs/dbraw/zinc/75/31/59/384753159.db2.gz DMOMUJJZOURACB-OAHLLOKOSA-N 0 1 246.354 2.263 20 0 BEADMN CC(C)[C@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881396 384754219 /nfs/dbraw/zinc/75/42/19/384754219.db2.gz MNHBZAOJXSMANR-SMDDNHRTSA-N 0 1 234.343 2.021 20 0 BEADMN CCCCN(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881118 384754319 /nfs/dbraw/zinc/75/43/19/384754319.db2.gz LYUODPUVDIUPCE-AWEZNQCLSA-N 0 1 234.343 2.119 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nn2)[C@@H]2CCCC[C@H]12 ZINC000536379082 384756237 /nfs/dbraw/zinc/75/62/37/384756237.db2.gz SHOMAIWLNPCBNO-MRVWCRGKSA-N 0 1 248.374 2.216 20 0 BEADMN COC(=O)c1ccc(CN2CCC(C)(C)C2)o1 ZINC000174252693 384769334 /nfs/dbraw/zinc/76/93/34/384769334.db2.gz IVZWUUBPQWACSN-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CC(F)(F)CCNC(=O)c1ccc(F)cc1O ZINC000294348045 384771812 /nfs/dbraw/zinc/77/18/12/384771812.db2.gz YZZWNLGXWFNRSB-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cccnc21 ZINC000054070193 384817432 /nfs/dbraw/zinc/81/74/32/384817432.db2.gz VZZYNPAOZXLHFY-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN Fc1cccc(CCNCc2ccon2)c1F ZINC000634960854 384827322 /nfs/dbraw/zinc/82/73/22/384827322.db2.gz DQDUURXIPRQPPX-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000174379484 384783322 /nfs/dbraw/zinc/78/33/22/384783322.db2.gz KKEYFXIQDVAKLI-GXFFZTMASA-N 0 1 247.342 2.377 20 0 BEADMN CCC[C@](C)(CO)NCc1ncc(CC)s1 ZINC000310019458 384785322 /nfs/dbraw/zinc/78/53/22/384785322.db2.gz MLZICAKBTQSTMZ-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN CCC[C@@](C)(CO)NCc1ncc(CC)s1 ZINC000310019459 384785689 /nfs/dbraw/zinc/78/56/89/384785689.db2.gz MLZICAKBTQSTMZ-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN CCN(CC[NH2+][C@@H](C)c1ccco1)C1CC1 ZINC000053377362 384786194 /nfs/dbraw/zinc/78/61/94/384786194.db2.gz JTUIARWCPQGJKS-NSHDSACASA-N 0 1 222.332 2.415 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2)no1 ZINC000048775550 384787678 /nfs/dbraw/zinc/78/76/78/384787678.db2.gz PYBRBKZPHSZUAQ-MRVPVSSYSA-N 0 1 203.245 2.017 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000083663511 384788599 /nfs/dbraw/zinc/78/85/99/384788599.db2.gz UJVRILJIISXFDB-CQSZACIVSA-N 0 1 247.338 2.341 20 0 BEADMN O=C([O-])[C@H]1CSCC[N@H+]1CC1CCCCC1 ZINC000126621162 384788762 /nfs/dbraw/zinc/78/87/62/384788762.db2.gz BSMXAVLRRXWAPB-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN CN(Cc1ncc(Cl)n1C)C1CCCC1 ZINC000053436584 384789530 /nfs/dbraw/zinc/78/95/30/384789530.db2.gz INXMBOHJJGCSRO-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN CC(C)S(=O)(=O)CCCN1CCCC1(C)C ZINC000176856925 384791819 /nfs/dbraw/zinc/79/18/19/384791819.db2.gz YCANJAUKGKBXDV-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN CO[C@@](C)(CNCc1csc(C)n1)C1CC1 ZINC000309247600 384796810 /nfs/dbraw/zinc/79/68/10/384796810.db2.gz MFWTULBRSFJOSB-LBPRGKRZSA-N 0 1 240.372 2.356 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647367977 384804948 /nfs/dbraw/zinc/80/49/48/384804948.db2.gz HQNPNIHGTGQZPH-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@@H](F)CN[C@H](C)c1ccnc(OC)c1 ZINC000310039634 384808623 /nfs/dbraw/zinc/80/86/23/384808623.db2.gz XECNJUCKUNFIJR-MWLCHTKSSA-N 0 1 226.295 2.489 20 0 BEADMN CCN(CCOC)Cc1ccc(Cl)nc1 ZINC000042492946 384809524 /nfs/dbraw/zinc/80/95/24/384809524.db2.gz YGTJRLSFPLAHJV-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN C[N@H+](Cc1ccncc1)C[C@H]1CCCC[C@@H]1O ZINC000053883851 384811844 /nfs/dbraw/zinc/81/18/44/384811844.db2.gz WGFXCBSSFURBPI-KGLIPLIRSA-N 0 1 234.343 2.065 20 0 BEADMN CN(Cc1ccc(Cl)nc1)C[C@H]1CCCO1 ZINC000042464066 384812690 /nfs/dbraw/zinc/81/26/90/384812690.db2.gz MHVRJCXKJFEXSU-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN CCc1ccc(CN2CCN(C(C)C)CC2)o1 ZINC000127018421 384851062 /nfs/dbraw/zinc/85/10/62/384851062.db2.gz IUJIFMZDRZSTGM-UHFFFAOYSA-N 0 1 236.359 2.368 20 0 BEADMN O=C1OCC[C@]12CCCN2CCc1ccccc1 ZINC000186635696 384863240 /nfs/dbraw/zinc/86/32/40/384863240.db2.gz AUEOXDKSLMEYGK-OAHLLOKOSA-N 0 1 245.322 2.011 20 0 BEADMN COC1(CCN[C@H](C)c2csnn2)CCC1 ZINC000398250129 384866201 /nfs/dbraw/zinc/86/62/01/384866201.db2.gz VUHKGFKGLGNEFH-SECBINFHSA-N 0 1 241.360 2.148 20 0 BEADMN CCC[C@@](C)(O)CNCc1csc(CC)n1 ZINC000163985596 384890649 /nfs/dbraw/zinc/89/06/49/384890649.db2.gz NSOPTCAGOMKDAD-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN CCC[C@](C)(O)CNCc1csc(CC)n1 ZINC000163985494 384891349 /nfs/dbraw/zinc/89/13/49/384891349.db2.gz NSOPTCAGOMKDAD-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN CC(C)COC[C@@H](O)CN1Cc2ccccc2C1 ZINC000106304032 384908559 /nfs/dbraw/zinc/90/85/59/384908559.db2.gz SZQSASQDOKGKKQ-HNNXBMFYSA-N 0 1 249.354 2.036 20 0 BEADMN Cc1nc(CN[C@@H]2CC[C@H](F)C2)cs1 ZINC000306392344 384912421 /nfs/dbraw/zinc/91/24/21/384912421.db2.gz GFNVARPENWTWII-DTWKUNHWSA-N 0 1 214.309 2.432 20 0 BEADMN C[C@@H](N[C@H]1CCO[C@H](C)C1)C(C)(F)F ZINC000307012069 384913912 /nfs/dbraw/zinc/91/39/12/384913912.db2.gz PRWLAKADWUXFCN-HLTSFMKQSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1csnn1 ZINC000307000771 384915183 /nfs/dbraw/zinc/91/51/83/384915183.db2.gz BTUCJGKQUFYJOJ-IWSPIJDZSA-N 0 1 211.334 2.377 20 0 BEADMN Cc1ncc(CNCc2ccc(C)nc2)s1 ZINC000057591175 384959078 /nfs/dbraw/zinc/95/90/78/384959078.db2.gz KCKSKEKXLLBYFJ-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@@H](N[C@@H]1CCO[C@H](C)C1)C(C)(F)F ZINC000307012071 384915892 /nfs/dbraw/zinc/91/58/92/384915892.db2.gz PRWLAKADWUXFCN-IWSPIJDZSA-N 0 1 207.264 2.187 20 0 BEADMN CCCCC[C@H](C)NC(=O)c1cnccc1N ZINC000127575519 384916095 /nfs/dbraw/zinc/91/60/95/384916095.db2.gz HKUJOWGWXBNHKY-JTQLQIEISA-N 0 1 235.331 2.362 20 0 BEADMN Cc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)n[nH]1 ZINC000056935819 384921284 /nfs/dbraw/zinc/92/12/84/384921284.db2.gz RAAXEOCSFRBFJS-VIFPVBQESA-N 0 1 233.315 2.121 20 0 BEADMN C[C@H]([N@@H+](C)CC(=O)N1CCCCC1)C1(C)CC1 ZINC000177245433 384928308 /nfs/dbraw/zinc/92/83/08/384928308.db2.gz SVXCHPATZTWZOH-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](CO)NCc1ccnc(Cl)c1Cl ZINC000279132790 384933505 /nfs/dbraw/zinc/93/35/05/384933505.db2.gz YLYQAJJUIGUSLD-QMMMGPOBSA-N 0 1 249.141 2.249 20 0 BEADMN CSCC[N@@H+](C)CCOC(C)(C)C ZINC000149575069 384937946 /nfs/dbraw/zinc/93/79/46/384937946.db2.gz BQXAQBMFTNUSBP-UHFFFAOYSA-N 0 1 205.367 2.096 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635979663 384939488 /nfs/dbraw/zinc/93/94/88/384939488.db2.gz KJBIDUBJVUUMSE-NWDGAFQWSA-N 0 1 226.364 2.188 20 0 BEADMN CCC[N@@H+](C)CC(=O)NC1(C(F)F)CCCC1 ZINC000644560219 384960258 /nfs/dbraw/zinc/96/02/58/384960258.db2.gz VSWSCUPGKYKZMV-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1ccoc1CNCc1nc(C)ccc1O ZINC000310290320 384945368 /nfs/dbraw/zinc/94/53/68/384945368.db2.gz YUNIJPHNHXBYFU-UHFFFAOYSA-N 0 1 232.283 2.287 20 0 BEADMN CC/C=C(\C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175829391 384967182 /nfs/dbraw/zinc/96/71/82/384967182.db2.gz DHAAMRACKZURQY-XBXARRHUSA-N 0 1 230.271 2.253 20 0 BEADMN C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccon1 ZINC000339089465 384969143 /nfs/dbraw/zinc/96/91/43/384969143.db2.gz QJEJDRPJMIOMQC-BBBLOLIVSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@@H](CCC1CC1)Nc1ncnc2[nH]cnc21 ZINC000302221111 384969822 /nfs/dbraw/zinc/96/98/22/384969822.db2.gz NQHPXBPFIZYASO-QMMMGPOBSA-N 0 1 231.303 2.344 20 0 BEADMN CC[C@@H](C)[C@H](C)Nc1ccncc1C(N)=O ZINC000302221354 384969874 /nfs/dbraw/zinc/96/98/74/384969874.db2.gz MMHTZLNSFITHOI-BDAKNGLRSA-N 0 1 221.304 2.027 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1Cc1ncnn1C ZINC000177349538 384971388 /nfs/dbraw/zinc/97/13/88/384971388.db2.gz NBTYAGJMVCHQLC-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ccc(CN2CCC[C@H](O)C2)cc1F ZINC000127999651 384980129 /nfs/dbraw/zinc/98/01/29/384980129.db2.gz BTCLLKJADYXOCK-LBPRGKRZSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@H](NCc1ccsc1)C(=O)NC(C)(C)C ZINC000058123173 384982434 /nfs/dbraw/zinc/98/24/34/384982434.db2.gz LTZPPHRBDSDSSS-SECBINFHSA-N 0 1 240.372 2.141 20 0 BEADMN Cc1ccsc1CN(C)[C@@H](C)C[S@](C)=O ZINC000187833353 384986453 /nfs/dbraw/zinc/98/64/53/384986453.db2.gz VSRAAYYTQDHIBV-BONVTDFDSA-N 0 1 245.413 2.255 20 0 BEADMN CC(C)(C)c1ncc(CN2CC[C@@H](O)C2)s1 ZINC000128090266 384993738 /nfs/dbraw/zinc/99/37/38/384993738.db2.gz UUXZHXAQIINSMH-SECBINFHSA-N 0 1 240.372 2.007 20 0 BEADMN Cc1ccc(C[N@@H+](CCO)C2CC2)cc1F ZINC000128128463 384996025 /nfs/dbraw/zinc/99/60/25/384996025.db2.gz HZYUKRSUSGGERW-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1occc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335646826 384996355 /nfs/dbraw/zinc/99/63/55/384996355.db2.gz OIWTZELEAFUWMF-QWRGUYRKSA-N 0 1 209.314 2.278 20 0 BEADMN CC(C)C1CCN(C(=O)c2cnccc2N)CC1 ZINC000187913578 384996437 /nfs/dbraw/zinc/99/64/37/384996437.db2.gz MSPBHDGMCQNFIA-UHFFFAOYSA-N 0 1 247.342 2.172 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1cnccc1N ZINC000128124801 384997560 /nfs/dbraw/zinc/99/75/60/384997560.db2.gz LYOCYDNAQNWYHH-SNVBAGLBSA-N 0 1 235.331 2.172 20 0 BEADMN Cc1nc(CN[C@H](C)c2cccs2)n[nH]1 ZINC000129837240 385012583 /nfs/dbraw/zinc/01/25/83/385012583.db2.gz ORQMLIUTVRRYTB-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN CC(C)(C)/C=C\C(=O)Nc1ccc2[nH]nnc2c1 ZINC000255765084 385019181 /nfs/dbraw/zinc/01/91/81/385019181.db2.gz AKUBSDSZBGMPDJ-SREVYHEPSA-N 0 1 244.298 2.499 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1cscn1 ZINC000647243805 385047662 /nfs/dbraw/zinc/04/76/62/385047662.db2.gz PDHXTWRZDGERBS-UWVGGRQHSA-N 0 1 228.361 2.030 20 0 BEADMN CCCCCN1CCC[C@H]1c1nncn1C ZINC000157037759 385051822 /nfs/dbraw/zinc/05/18/22/385051822.db2.gz AXCXTTPJHSLFJT-NSHDSACASA-N 0 1 222.336 2.142 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1ncc(C)s1 ZINC000647244503 385057838 /nfs/dbraw/zinc/05/78/38/385057838.db2.gz AHIIGGIFRXJSSC-MWLCHTKSSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@H]1CCN(CC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000557635518 385062588 /nfs/dbraw/zinc/06/25/88/385062588.db2.gz LCDKCGTYWXRNJZ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@]1(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000648273996 385066216 /nfs/dbraw/zinc/06/62/16/385066216.db2.gz DWXGTDPNOQXVGP-BZPMIXESSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NCCOCC(F)F)c1ccco1 ZINC000130988284 385071438 /nfs/dbraw/zinc/07/14/38/385071438.db2.gz SZYAHDSYNZCVAO-MRVPVSSYSA-N 0 1 219.231 2.212 20 0 BEADMN c1nc(CNC[C@@H]2CSCCS2)cs1 ZINC000131167063 385075067 /nfs/dbraw/zinc/07/50/67/385075067.db2.gz YXAMKXRHJSMJHG-SECBINFHSA-N 0 1 246.426 2.081 20 0 BEADMN COC[C@H](N[C@@H](C)c1cscn1)C1CC1 ZINC000131237822 385077812 /nfs/dbraw/zinc/07/78/12/385077812.db2.gz GBPGCCGIQSBIMZ-WPRPVWTQSA-N 0 1 226.345 2.219 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc(C)on1)C(C)(C)O ZINC000340500405 385079833 /nfs/dbraw/zinc/07/98/33/385079833.db2.gz GNKKRLGFPNFDGC-ONGXEEELSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1nc(CN2CCCc3sccc3C2)n[nH]1 ZINC000644668232 385082389 /nfs/dbraw/zinc/08/23/89/385082389.db2.gz JCACAMCNMHFLDX-UHFFFAOYSA-N 0 1 248.355 2.123 20 0 BEADMN c1cc(CNCCOCC2CCCC2)sn1 ZINC000404508218 385025718 /nfs/dbraw/zinc/02/57/18/385025718.db2.gz OBVNCGZJHLCNLY-UHFFFAOYSA-N 0 1 240.372 2.440 20 0 BEADMN CC[C@H](c1ccncc1)N(C)Cc1cnc[nH]1 ZINC000188240261 385027691 /nfs/dbraw/zinc/02/76/91/385027691.db2.gz ZLHVPTHCLABRJC-CYBMUJFWSA-N 0 1 230.315 2.388 20 0 BEADMN C[C@@H](O)CCN(C)Cc1cc(F)ccc1F ZINC000128424776 385033114 /nfs/dbraw/zinc/03/31/14/385033114.db2.gz ZAOANNLLLUDNDX-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C)n1 ZINC000518386789 385033907 /nfs/dbraw/zinc/03/39/07/385033907.db2.gz QKWFBCQWYTVORS-ZDUSSCGKSA-N 0 1 248.326 2.138 20 0 BEADMN C[C@@H](NC(=O)CCCC(C)(C)C)c1nnc[nH]1 ZINC000176206622 385039252 /nfs/dbraw/zinc/03/92/52/385039252.db2.gz BMWPJNYCDDZCCE-SECBINFHSA-N 0 1 238.335 2.198 20 0 BEADMN C[C@@H](NCc1nccs1)[C@@]1(C)CCCO1 ZINC000340190837 385039281 /nfs/dbraw/zinc/03/92/81/385039281.db2.gz MKKJUYZBUOSWFO-MWLCHTKSSA-N 0 1 226.345 2.190 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)N[C@H](C)c1nnc[nH]1 ZINC000176206316 385039507 /nfs/dbraw/zinc/03/95/07/385039507.db2.gz DVVOSEFHRBFBMN-NXEZZACHSA-N 0 1 238.335 2.054 20 0 BEADMN CCN(CCCO)Cc1cccc(F)c1F ZINC000128495763 385039633 /nfs/dbraw/zinc/03/96/33/385039633.db2.gz RDLPWBVSBWHADM-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN C[C@H](NC(=O)CCCC(C)(C)C)c1nnc[nH]1 ZINC000176206610 385040252 /nfs/dbraw/zinc/04/02/52/385040252.db2.gz BMWPJNYCDDZCCE-VIFPVBQESA-N 0 1 238.335 2.198 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(C)C[C@H]1CC ZINC000647460437 385047319 /nfs/dbraw/zinc/04/73/19/385047319.db2.gz CFXQDHVHQMQKNP-FFXRNRBCSA-N 0 1 236.359 2.061 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3C)[nH]c2c1 ZINC000646984400 385111243 /nfs/dbraw/zinc/11/12/43/385111243.db2.gz BANNUERZHRQLTR-DTWKUNHWSA-N 0 1 229.283 2.466 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccccc1Cl)C(N)=O ZINC000061677056 385128814 /nfs/dbraw/zinc/12/88/14/385128814.db2.gz CNMNPVJRAIITCA-KWQFWETISA-N 0 1 240.734 2.255 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(F)F ZINC000557786806 385138759 /nfs/dbraw/zinc/13/87/59/385138759.db2.gz QRYOJVPTYVLEFP-UHFFFAOYSA-N 0 1 245.273 2.227 20 0 BEADMN Cc1nc(CN2CCCc3c(C)cccc32)n[nH]1 ZINC000644668579 385086197 /nfs/dbraw/zinc/08/61/97/385086197.db2.gz DXKNQNONPJAZNO-UHFFFAOYSA-N 0 1 242.326 2.374 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](C(F)F)C2)cn1 ZINC000644680004 385091983 /nfs/dbraw/zinc/09/19/83/385091983.db2.gz JDSJMTNSBZYOFN-VHSXEESVSA-N 0 1 241.285 2.433 20 0 BEADMN CCc1nc(C)c(CN2CC=CCC2)o1 ZINC000644682203 385095825 /nfs/dbraw/zinc/09/58/25/385095825.db2.gz QMIGAWRTRDWVAX-UHFFFAOYSA-N 0 1 206.289 2.307 20 0 BEADMN Cc1cnc([C@@H](C)N2CC=CCC2)cn1 ZINC000644682184 385095842 /nfs/dbraw/zinc/09/58/42/385095842.db2.gz LISNGBXFTQRKOY-LLVKDONJSA-N 0 1 203.289 2.108 20 0 BEADMN Cc1cnc([C@H](C)N2CC=CCC2)cn1 ZINC000644682185 385096097 /nfs/dbraw/zinc/09/60/97/385096097.db2.gz LISNGBXFTQRKOY-NSHDSACASA-N 0 1 203.289 2.108 20 0 BEADMN CC[C@H](CO)NCc1ccnc(Cl)c1Cl ZINC000290980323 385099681 /nfs/dbraw/zinc/09/96/81/385099681.db2.gz YLYQAJJUIGUSLD-MRVPVSSYSA-N 0 1 249.141 2.249 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccco1 ZINC000227219462 385106796 /nfs/dbraw/zinc/10/67/96/385106796.db2.gz XPUASFFGYIQARY-WXHSDQCUSA-N 0 1 249.310 2.497 20 0 BEADMN Cc1cncc(CN(C)C[C@H]2CCCO2)c1 ZINC000189794463 385182922 /nfs/dbraw/zinc/18/29/22/385182922.db2.gz KJLVCOGRSTYYKL-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H](N[C@@H]1CCCSC1)c1ccon1 ZINC000306760228 385188000 /nfs/dbraw/zinc/18/80/00/385188000.db2.gz QVLBPZGONUGNNQ-RKDXNWHRSA-N 0 1 212.318 2.221 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CC23CC3)c2nccn21 ZINC000424332455 385148962 /nfs/dbraw/zinc/14/89/62/385148962.db2.gz WKJJPYGTCPEXTR-UTLUCORTSA-N 0 1 203.289 2.031 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000152011807 385148895 /nfs/dbraw/zinc/14/88/95/385148895.db2.gz JFUAWYYPEXYFCE-NSHDSACASA-N 0 1 235.331 2.308 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CC23CC3)c2nccn21 ZINC000424332452 385149283 /nfs/dbraw/zinc/14/92/83/385149283.db2.gz WKJJPYGTCPEXTR-KXUCPTDWSA-N 0 1 203.289 2.031 20 0 BEADMN C[C@@H](N[C@H]1C=CCCCCC1)c1nncn1C ZINC000294727764 385149515 /nfs/dbraw/zinc/14/95/15/385149515.db2.gz WCLLHBWNCHKOMI-NEPJUHHUSA-N 0 1 234.347 2.355 20 0 BEADMN COC[C@@H]1CN(Cc2cccc(C)c2)C[C@H](C)O1 ZINC000189386994 385150041 /nfs/dbraw/zinc/15/00/41/385150041.db2.gz CJUPOAFVEJPOJB-ZFWWWQNUSA-N 0 1 249.354 2.231 20 0 BEADMN CCCC1(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000310755313 385157770 /nfs/dbraw/zinc/15/77/70/385157770.db2.gz JGXAJHONEJAXRL-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN C[C@@H](NCCOCC1CC1)c1ccco1 ZINC000053585339 385165275 /nfs/dbraw/zinc/16/52/75/385165275.db2.gz WAVZGGBKNFRYQO-SNVBAGLBSA-N 0 1 209.289 2.357 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CC12CC2 ZINC000424329374 385165587 /nfs/dbraw/zinc/16/55/87/385165587.db2.gz RNHPCLJDYVVKPP-UWVGGRQHSA-N 0 1 205.305 2.106 20 0 BEADMN Cc1cc[nH+]c(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000516653388 385166346 /nfs/dbraw/zinc/16/63/46/385166346.db2.gz BUGQIUJDXHRVLH-LLVKDONJSA-N 0 1 246.310 2.081 20 0 BEADMN CC[C@@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000189605545 385169531 /nfs/dbraw/zinc/16/95/31/385169531.db2.gz MFKVHQUBWMOZTB-SECBINFHSA-N 0 1 235.331 2.207 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)CC2CC2)n1 ZINC000308846361 385208380 /nfs/dbraw/zinc/20/83/80/385208380.db2.gz MKUJNHOILHZPCI-SFYZADRCSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1cc(CNC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000648329733 385215368 /nfs/dbraw/zinc/21/53/68/385215368.db2.gz KATUVMRORMTIHB-ZDUSSCGKSA-N 0 1 233.315 2.081 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)NCc1cc(C)[nH]n1 ZINC000648329793 385215572 /nfs/dbraw/zinc/21/55/72/385215572.db2.gz ZAWKERJDIXZDBM-ZYHUDNBSSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1ccc(CNCc2ccnn2C)cc1 ZINC000002536105 385221258 /nfs/dbraw/zinc/22/12/58/385221258.db2.gz SOEKNSSDGFFUFM-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN COC[C@H](C)N1CCc2c(F)cccc2C1 ZINC000152937561 385227041 /nfs/dbraw/zinc/22/70/41/385227041.db2.gz VSFCMXRSTNMLTK-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN COC[C@@H](C)N1CCc2c(F)cccc2C1 ZINC000152937637 385227167 /nfs/dbraw/zinc/22/71/67/385227167.db2.gz VSFCMXRSTNMLTK-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CN(Cc1ccncc1)C[C@@H]1CCCCO1 ZINC000130272340 385234893 /nfs/dbraw/zinc/23/48/93/385234893.db2.gz KSMJEWRVCAOKFU-ZDUSSCGKSA-N 0 1 220.316 2.083 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC2(CCC2)C1 ZINC000177443236 385242588 /nfs/dbraw/zinc/24/25/88/385242588.db2.gz ZJKNFOBSQDYRBD-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000290578152 385249246 /nfs/dbraw/zinc/24/92/46/385249246.db2.gz ZFTOXINITQCGOP-ONGXEEELSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@H](CCO)CN[C@@H](C)c1cc(C)on1 ZINC000290636515 385250637 /nfs/dbraw/zinc/25/06/37/385250637.db2.gz JGERBMYWTQNHTF-WDEREUQCSA-N 0 1 226.320 2.042 20 0 BEADMN CC[C@H](CCO)CN[C@H](C)c1cc(C)on1 ZINC000290636499 385251032 /nfs/dbraw/zinc/25/10/32/385251032.db2.gz JGERBMYWTQNHTF-GHMZBOCLSA-N 0 1 226.320 2.042 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccccc1 ZINC000062622750 385251956 /nfs/dbraw/zinc/25/19/56/385251956.db2.gz JVXUJFHRSKMHAV-CYBMUJFWSA-N 0 1 247.342 2.148 20 0 BEADMN CC(C)c1cc(C(=O)N(C)CCC2CC2)n[nH]1 ZINC000154101108 385302491 /nfs/dbraw/zinc/30/24/91/385302491.db2.gz LEIFWGDZLYYYTP-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN Cc1ccnc(NCC[C@H](C)CCO)c1 ZINC000294899332 385305010 /nfs/dbraw/zinc/30/50/10/385305010.db2.gz IBHMFBWXHKSLFR-JTQLQIEISA-N 0 1 208.305 2.211 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@H]1CCCCN1C ZINC000643967027 385322429 /nfs/dbraw/zinc/32/24/29/385322429.db2.gz PZDCKNVIBHKHLO-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN CC/C=C/CNCc1c(Cl)cnn1C ZINC000294947828 385322990 /nfs/dbraw/zinc/32/29/90/385322990.db2.gz HHVGYCXXZYZSSM-SNAWJCMRSA-N 0 1 213.712 2.129 20 0 BEADMN C[C@@H](CCc1cccn1C)NCc1cocn1 ZINC000191098663 385283840 /nfs/dbraw/zinc/28/38/40/385283840.db2.gz IFMAVIFEHNEQSJ-NSHDSACASA-N 0 1 233.315 2.124 20 0 BEADMN CCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000034507410 385285421 /nfs/dbraw/zinc/28/54/21/385285421.db2.gz NCCMVMZWKJDRAE-UHFFFAOYSA-N 0 1 242.363 2.339 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])CCc1cccs1 ZINC000261564182 385294847 /nfs/dbraw/zinc/29/48/47/385294847.db2.gz CIZGFNUVVPCMGR-UHFFFAOYSA-N 0 1 241.356 2.477 20 0 BEADMN COC[C@@H](CC(C)C)NCc1nccs1 ZINC000308944189 385299902 /nfs/dbraw/zinc/29/99/02/385299902.db2.gz NEICRUXPJCFGDJ-SNVBAGLBSA-N 0 1 228.361 2.294 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@H](C)C(C)C)cc1 ZINC000228075996 385329084 /nfs/dbraw/zinc/32/90/84/385329084.db2.gz PVMPPKBYCIHHSW-DGCLKSJQSA-N 0 1 234.343 2.156 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC2(C)C)n1 ZINC000191859537 385329720 /nfs/dbraw/zinc/32/97/20/385329720.db2.gz BZUIMNFYVUIHKV-NSHDSACASA-N 0 1 249.358 2.413 20 0 BEADMN C(Sc1nc(C2CC2)n[nH]1)C1CCOCC1 ZINC000407996083 385337546 /nfs/dbraw/zinc/33/75/46/385337546.db2.gz KWIFFKFJPHWNSM-UHFFFAOYSA-N 0 1 239.344 2.201 20 0 BEADMN C(Sc1n[nH]c(C2CC2)n1)C1CCOCC1 ZINC000407996083 385337552 /nfs/dbraw/zinc/33/75/52/385337552.db2.gz KWIFFKFJPHWNSM-UHFFFAOYSA-N 0 1 239.344 2.201 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C3CC3)C2)o1 ZINC000335912006 385338867 /nfs/dbraw/zinc/33/88/67/385338867.db2.gz BPXPJDSGKLGZEC-KWQFWETISA-N 0 1 221.304 2.171 20 0 BEADMN CC(C)n1nccc1CNC1CC(F)(F)C1 ZINC000280660177 385346716 /nfs/dbraw/zinc/34/67/16/385346716.db2.gz STTUFTDJIREERX-UHFFFAOYSA-N 0 1 229.274 2.351 20 0 BEADMN C[N@H+](Cc1ccoc1)C[C@H](O)CC(F)(F)F ZINC000307935291 385350694 /nfs/dbraw/zinc/35/06/94/385350694.db2.gz KVHNCDXUZXWNLS-SECBINFHSA-N 0 1 237.221 2.025 20 0 BEADMN Cc1noc(C)c1[C@@H](C)CNCc1cocn1 ZINC000192335722 385352333 /nfs/dbraw/zinc/35/23/33/385352333.db2.gz KJUHSSVHIJWEPO-QMMMGPOBSA-N 0 1 235.287 2.173 20 0 BEADMN Cc1cnc([C@H](C)NCCc2cnccn2)s1 ZINC000402852762 385359607 /nfs/dbraw/zinc/35/96/07/385359607.db2.gz UJFIAPAAUHUMNA-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)n[nH]1 ZINC000273647301 385369019 /nfs/dbraw/zinc/36/90/19/385369019.db2.gz IHLIDTOXVHBEMO-VIFPVBQESA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H](Cc1ccoc1)NCc1nccs1 ZINC000309019887 385372661 /nfs/dbraw/zinc/37/26/61/385372661.db2.gz WKERIGMLVMANQK-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN CC1(C)CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000155482847 385391707 /nfs/dbraw/zinc/39/17/07/385391707.db2.gz YKTRGUBAXCWVSW-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CCCc1nc(CN[C@H](CO)C(C)C)cs1 ZINC000180609315 385399191 /nfs/dbraw/zinc/39/91/91/385399191.db2.gz LCEVUPMMXWWTIO-LLVKDONJSA-N 0 1 242.388 2.202 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2[nH]1 ZINC000647661119 385399524 /nfs/dbraw/zinc/39/95/24/385399524.db2.gz RZVPMFZJIKFQEW-XCBNKYQSSA-N 0 1 229.283 2.466 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2[nH]1 ZINC000647661118 385399782 /nfs/dbraw/zinc/39/97/82/385399782.db2.gz RZVPMFZJIKFQEW-OIBJUYFYSA-N 0 1 229.283 2.466 20 0 BEADMN Cc1c([C@H](C)NCCF)cnn1C(C)C ZINC000281135428 385401580 /nfs/dbraw/zinc/40/15/80/385401580.db2.gz UCLNWTWBSMDSFB-VIFPVBQESA-N 0 1 213.300 2.393 20 0 BEADMN C[C@H](NCCN1CC=CCC1)c1nccs1 ZINC000281199290 385408446 /nfs/dbraw/zinc/40/84/46/385408446.db2.gz RWLMNYZHLHHBPM-NSHDSACASA-N 0 1 237.372 2.056 20 0 BEADMN COCCc1nc(C)c([C@@H](C)NCCF)s1 ZINC000281223854 385416326 /nfs/dbraw/zinc/41/63/26/385416326.db2.gz ZRJSMBQXVYNKMB-MRVPVSSYSA-N 0 1 246.351 2.261 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000156148768 385438193 /nfs/dbraw/zinc/43/81/93/385438193.db2.gz UIOYQCGXGMOJML-ONGXEEELSA-N 0 1 247.342 2.207 20 0 BEADMN CO[C@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000182338664 385438693 /nfs/dbraw/zinc/43/86/93/385438693.db2.gz OEWRHDVHBNMTCN-SECBINFHSA-N 0 1 228.361 2.311 20 0 BEADMN CS[C@@H]1CCCCN(Cc2nccn2C)C1 ZINC000179108536 385441840 /nfs/dbraw/zinc/44/18/40/385441840.db2.gz MWVVTFHQFDERIO-LLVKDONJSA-N 0 1 239.388 2.138 20 0 BEADMN CCC[C@H](NC(=O)CN(C)C)c1ccccc1 ZINC000170710894 385442430 /nfs/dbraw/zinc/44/24/30/385442430.db2.gz ITGUCOONFVFCIE-ZDUSSCGKSA-N 0 1 234.343 2.206 20 0 BEADMN FCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000281789609 385446299 /nfs/dbraw/zinc/44/62/99/385446299.db2.gz XRPCLMNMFDPOBK-NSHDSACASA-N 0 1 212.243 2.231 20 0 BEADMN CC[C@H]1C(=O)NCCN1Cc1c(C)cccc1C ZINC000156365737 385448716 /nfs/dbraw/zinc/44/87/16/385448716.db2.gz YTLZHKKDUVGLKB-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CO[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000170817878 385449938 /nfs/dbraw/zinc/44/99/38/385449938.db2.gz CHNLNSOFCNZHQQ-LBPRGKRZSA-N 0 1 223.291 2.437 20 0 BEADMN CC(C)n1cc(CNCC2=CCCCC2)nn1 ZINC000295138185 385458469 /nfs/dbraw/zinc/45/84/69/385458469.db2.gz PMACWMSUYSBXNB-UHFFFAOYSA-N 0 1 234.347 2.449 20 0 BEADMN CC/C=C/CNCc1ccc(COC)o1 ZINC000295135137 385456113 /nfs/dbraw/zinc/45/61/13/385456113.db2.gz YRTQBRRDBRVCLI-SNAWJCMRSA-N 0 1 209.289 2.482 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000156148997 385437360 /nfs/dbraw/zinc/43/73/60/385437360.db2.gz UIOYQCGXGMOJML-GXSJLCMTSA-N 0 1 247.342 2.207 20 0 BEADMN CCN(CCc1ccccc1)Cc1cc[nH]n1 ZINC000179302988 385458534 /nfs/dbraw/zinc/45/85/34/385458534.db2.gz ACXYOOOAZITTJX-UHFFFAOYSA-N 0 1 229.327 2.474 20 0 BEADMN c1cc(CN2CCC[C@@H](n3cncn3)C2)cs1 ZINC000179470624 385468216 /nfs/dbraw/zinc/46/82/16/385468216.db2.gz PGHIMWNTQGZTKY-GFCCVEGCSA-N 0 1 248.355 2.177 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000171272720 385475646 /nfs/dbraw/zinc/47/56/46/385475646.db2.gz CFCJTPJZZNJMMJ-UHFFFAOYSA-N 0 1 245.326 2.447 20 0 BEADMN CC(C)c1ccc(CN(C)C(=O)CN(C)C)cc1 ZINC000171350904 385479459 /nfs/dbraw/zinc/47/94/59/385479459.db2.gz GQQZXSKIBGCTBE-UHFFFAOYSA-N 0 1 248.370 2.330 20 0 BEADMN COCCN(Cc1cncs1)C[C@H]1C[C@@H]1C ZINC000448363357 385460308 /nfs/dbraw/zinc/46/03/08/385460308.db2.gz QVOJTYLIJZJQOW-WDEREUQCSA-N 0 1 240.372 2.248 20 0 BEADMN COCCN(Cc1cncs1)C[C@H]1C[C@H]1C ZINC000448363354 385460526 /nfs/dbraw/zinc/46/05/26/385460526.db2.gz QVOJTYLIJZJQOW-GHMZBOCLSA-N 0 1 240.372 2.248 20 0 BEADMN FC1(F)CCCC[C@H]1CNCc1ncc[nH]1 ZINC000295150861 385460848 /nfs/dbraw/zinc/46/08/48/385460848.db2.gz RCUGKPNTACUFEW-VIFPVBQESA-N 0 1 229.274 2.325 20 0 BEADMN COCc1ccc(C[N@H+](C)[C@H](C)COC)cc1 ZINC000179368630 385463357 /nfs/dbraw/zinc/46/33/57/385463357.db2.gz NPXQQVHBXKLYNJ-GFCCVEGCSA-N 0 1 237.343 2.300 20 0 BEADMN COC(=O)c1coc(CN2CCCC[C@@H]2C)c1 ZINC000171028941 385463748 /nfs/dbraw/zinc/46/37/48/385463748.db2.gz ONNCUXBLTZXGBA-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN CCc1ccc(CN(C)[C@H](C)COC)o1 ZINC000179369357 385463931 /nfs/dbraw/zinc/46/39/31/385463931.db2.gz HPFMPFUYCBRDFR-SNVBAGLBSA-N 0 1 211.305 2.309 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nnc[nH]2)o1 ZINC000179794938 385491666 /nfs/dbraw/zinc/49/16/66/385491666.db2.gz MBWMJMIMNXZAQO-MWLCHTKSSA-N 0 1 246.314 2.153 20 0 BEADMN Cc1cn[nH]c1CNC(C)(C)c1nccs1 ZINC000289434390 385492109 /nfs/dbraw/zinc/49/21/09/385492109.db2.gz FFLIHDVBWDNTCF-UHFFFAOYSA-N 0 1 236.344 2.200 20 0 BEADMN COCc1cnc(CN[C@@H]2CC2(C)C)s1 ZINC000309229587 385492290 /nfs/dbraw/zinc/49/22/90/385492290.db2.gz WLKIAESBYHKDSI-SECBINFHSA-N 0 1 226.345 2.178 20 0 BEADMN Cc1ccsc1CN1CCO[C@H](C)C1 ZINC000179866267 385496483 /nfs/dbraw/zinc/49/64/83/385496483.db2.gz ZKJBHFDUCVGDRH-SNVBAGLBSA-N 0 1 211.330 2.277 20 0 BEADMN CC[C@@H](C)[C@H](C)NCc1nc(C2CC2)no1 ZINC000183040090 385501658 /nfs/dbraw/zinc/50/16/58/385501658.db2.gz IXKCYADZOWFWRG-BDAKNGLRSA-N 0 1 223.320 2.471 20 0 BEADMN CCN(CC)C(=O)CCCNc1cccc(C)n1 ZINC000157529512 385508226 /nfs/dbraw/zinc/50/82/26/385508226.db2.gz PVDAOFXJAJXBEZ-UHFFFAOYSA-N 0 1 249.358 2.451 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927889 385489186 /nfs/dbraw/zinc/48/91/86/385489186.db2.gz SGWYIFWZTMRTSM-ZJUUUORDSA-N 0 1 223.320 2.050 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)[C@@H]1C ZINC000334300388 385532637 /nfs/dbraw/zinc/53/26/37/385532637.db2.gz UJCLPDNKNMUUJZ-WPRPVWTQSA-N 0 1 235.331 2.322 20 0 BEADMN c1csc(C2(NCc3cnc[nH]3)CCCC2)n1 ZINC000172077074 385546582 /nfs/dbraw/zinc/54/65/82/385546582.db2.gz YXQLDFOTASRKSF-UHFFFAOYSA-N 0 1 248.355 2.425 20 0 BEADMN CCO[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172112192 385550164 /nfs/dbraw/zinc/55/01/64/385550164.db2.gz AHJGLBWXDWPGFX-SSDOTTSWSA-N 0 1 243.690 2.409 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CCCOC2)oc1C ZINC000107690569 385576794 /nfs/dbraw/zinc/57/67/94/385576794.db2.gz GQQHJPPAAWKVJL-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN FC(F)O[C@H]1CCCC[C@H]1NCc1cocn1 ZINC000337311919 385600873 /nfs/dbraw/zinc/60/08/73/385600873.db2.gz VMSHAMHZLBUWTK-ZJUUUORDSA-N 0 1 246.257 2.315 20 0 BEADMN CC(C)CNCc1nccc(C(F)(F)F)n1 ZINC000414508670 385604037 /nfs/dbraw/zinc/60/40/37/385604037.db2.gz RGAPKYFQBXDEQG-UHFFFAOYSA-N 0 1 233.237 2.241 20 0 BEADMN CCC[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000337308619 385592741 /nfs/dbraw/zinc/59/27/41/385592741.db2.gz YDJYTOUAFUWWPH-JTQLQIEISA-N 0 1 238.297 2.355 20 0 BEADMN Cc1nnc(CN(C(C)C)C2CCCC2)n1C ZINC000108365699 385636364 /nfs/dbraw/zinc/63/63/64/385636364.db2.gz NTKRHFHWDGDIPB-UHFFFAOYSA-N 0 1 236.363 2.277 20 0 BEADMN CCCc1csc(CN[C@H](C)C[C@@H](C)O)n1 ZINC000309491355 385618086 /nfs/dbraw/zinc/61/80/86/385618086.db2.gz XFTCFIZOYCDVOS-NXEZZACHSA-N 0 1 242.388 2.345 20 0 BEADMN CCc1nc(CSc2ncccc2F)n[nH]1 ZINC000451058836 385636366 /nfs/dbraw/zinc/63/63/66/385636366.db2.gz WAJUTAGXGVZQMP-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN FCCNCc1ccc(F)c2cccnc12 ZINC000309492062 385621231 /nfs/dbraw/zinc/62/12/31/385621231.db2.gz IVVAXIFIWASFCR-UHFFFAOYSA-N 0 1 222.238 2.433 20 0 BEADMN Cc1n[nH]c(C)c1CNc1nccn1CC(C)C ZINC000281025239 385627615 /nfs/dbraw/zinc/62/76/15/385627615.db2.gz OSHGQVATAWVJME-UHFFFAOYSA-N 0 1 247.346 2.491 20 0 BEADMN COCC1CCC([NH2+]Cc2n[nH]cc2C)CC1 ZINC000414511677 385628397 /nfs/dbraw/zinc/62/83/97/385628397.db2.gz LJFYRFDHGUINIY-UHFFFAOYSA-N 0 1 237.347 2.013 20 0 BEADMN CO[C@H](C)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000182085534 385632955 /nfs/dbraw/zinc/63/29/55/385632955.db2.gz ODAXJAHHSRZZIE-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)CC(C)C)c1C ZINC000269824168 385636031 /nfs/dbraw/zinc/63/60/31/385636031.db2.gz UZDKOCCRQMHQOZ-MRVPVSSYSA-N 0 1 223.320 2.191 20 0 BEADMN c1nc(CN2CC[C@@H](CC3CC3)C2)co1 ZINC000354526035 385613417 /nfs/dbraw/zinc/61/34/17/385613417.db2.gz MIRNAOHBYDBQIR-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN CSCCCN(C)Cc1ccc(F)cn1 ZINC000281208763 385644778 /nfs/dbraw/zinc/64/47/78/385644778.db2.gz AYBWFYQUOWZTED-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN COC[C@@H](C)CNc1ccnc(C)c1Cl ZINC000336683271 385648129 /nfs/dbraw/zinc/64/81/29/385648129.db2.gz JSXFCMTYCGATKU-QMMMGPOBSA-N 0 1 228.723 2.160 20 0 BEADMN Cc1nnc([C@@H](C)NCC[C@H]2CCCO2)s1 ZINC000309513088 385650332 /nfs/dbraw/zinc/65/03/32/385650332.db2.gz XWZSTUANLQBDAV-PSASIEDQSA-N 0 1 241.360 2.066 20 0 BEADMN CC(C)Cn1ccc2cc(NC(=O)CN)ccc21 ZINC000263256643 385654554 /nfs/dbraw/zinc/65/45/54/385654554.db2.gz KZPUOGIANYGSJQ-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN CC[C@H](CN[C@@H](C)c1cscn1)OC ZINC000290178931 385676543 /nfs/dbraw/zinc/67/65/43/385676543.db2.gz NJASUHRWGAXPHV-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@H](C(=O)NO[C@@H]1CCCCO1)c1ccccc1 ZINC000182531293 385680276 /nfs/dbraw/zinc/68/02/76/385680276.db2.gz CVTUZHXDDNGGHN-WCQYABFASA-N 0 1 249.310 2.365 20 0 BEADMN Cc1cnc(NC[C@@H](c2ccco2)N(C)C)nc1 ZINC000270199017 385683450 /nfs/dbraw/zinc/68/34/50/385683450.db2.gz FQIYOSKMNVSDHL-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)c2cn[nH]c2)s1 ZINC000229884954 385685979 /nfs/dbraw/zinc/68/59/79/385685979.db2.gz BGNRVKWFYGIFKY-SSDOTTSWSA-N 0 1 236.344 2.334 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1ncn(C)n1 ZINC000336734791 385687991 /nfs/dbraw/zinc/68/79/91/385687991.db2.gz HQVHDEYUJJJTKV-GARJFASQSA-N 0 1 222.336 2.044 20 0 BEADMN CCOCCN1CCc2c(cccc2OC)C1 ZINC000182677194 385695183 /nfs/dbraw/zinc/69/51/83/385695183.db2.gz DDBVXDGEOQUCGG-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@H]1NCC(F)(F)CO ZINC000184702775 385695863 /nfs/dbraw/zinc/69/58/63/385695863.db2.gz LUPKSPNEXUUIKQ-NXEZZACHSA-N 0 1 235.318 2.418 20 0 BEADMN CC[N@@H+](Cc1c(C)cccc1C)[C@@H]1CCNC1=O ZINC000281796939 385703860 /nfs/dbraw/zinc/70/38/60/385703860.db2.gz KGRJVTZMJFNENU-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CO[C@H]1CCN(Cc2cncc(F)c2)[C@@H](C)C1 ZINC000281842876 385706583 /nfs/dbraw/zinc/70/65/83/385706583.db2.gz YOOIIPGLUMLJKI-GWCFXTLKSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000309587429 385713562 /nfs/dbraw/zinc/71/35/62/385713562.db2.gz SKDMLURBVCLPSY-MIMYLULJSA-N 0 1 239.388 2.052 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2ccn(C)c2)n[nH]1 ZINC000270694596 385730021 /nfs/dbraw/zinc/73/00/21/385730021.db2.gz WQSPFSBUOBQHEG-JTQLQIEISA-N 0 1 247.346 2.117 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccco2)n[nH]1 ZINC000270763496 385740071 /nfs/dbraw/zinc/74/00/71/385740071.db2.gz PHYBJVVKGJWOAQ-MRVPVSSYSA-N 0 1 248.286 2.012 20 0 BEADMN CC[C@H](c1ccccc1)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282206531 385740628 /nfs/dbraw/zinc/74/06/28/385740628.db2.gz OFEGVTUBLVMHHX-GXTWGEPZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](CN(C)Cc1c[nH]cn1)c1nccs1 ZINC000183256478 385746724 /nfs/dbraw/zinc/74/67/24/385746724.db2.gz LCNPGMIBWRNBJA-SECBINFHSA-N 0 1 236.344 2.102 20 0 BEADMN CC(C)c1nc([C@@H](C)NCCCO)cs1 ZINC000186199731 385747383 /nfs/dbraw/zinc/74/73/83/385747383.db2.gz MBGDVULTSIWQFE-SECBINFHSA-N 0 1 228.361 2.300 20 0 BEADMN Cc1nc(CNC2(CO)CCCC2)c(C)s1 ZINC000336736418 385748197 /nfs/dbraw/zinc/74/81/97/385748197.db2.gz MOFCMTOPNMCOED-UHFFFAOYSA-N 0 1 240.372 2.155 20 0 BEADMN CCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270815289 385749092 /nfs/dbraw/zinc/74/90/92/385749092.db2.gz YQKKUYNTWQFSMF-VIFPVBQESA-N 0 1 238.335 2.296 20 0 BEADMN CCCc1noc(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000309627995 385756357 /nfs/dbraw/zinc/75/63/57/385756357.db2.gz HAZOAWVPGGKBFT-VHSXEESVSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)C2CCC2)cc1 ZINC000230803330 385758374 /nfs/dbraw/zinc/75/83/74/385758374.db2.gz HKAREGKKIBUHSH-CYBMUJFWSA-N 0 1 232.327 2.006 20 0 BEADMN c1nc(CN[C@H]2CCC23CCOCC3)cs1 ZINC000309633877 385758600 /nfs/dbraw/zinc/75/86/00/385758600.db2.gz RVIOATTWAWZZHO-NSHDSACASA-N 0 1 238.356 2.192 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000183416534 385761190 /nfs/dbraw/zinc/76/11/90/385761190.db2.gz KMWWZZKSWMLCGQ-DHHPTOIESA-N 0 1 249.358 2.407 20 0 BEADMN Cc1nnc(NC(=O)C(C)(C)C(C)(C)C)[nH]1 ZINC000309639153 385763256 /nfs/dbraw/zinc/76/32/56/385763256.db2.gz NXZYAHKXRRNLBB-UHFFFAOYSA-N 0 1 224.308 2.124 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccn(C)c1 ZINC000270981598 385767803 /nfs/dbraw/zinc/76/78/03/385767803.db2.gz DMVRVJAMUGXVGN-AAEUAGOBSA-N 0 1 222.332 2.024 20 0 BEADMN CCN1CCN([C@@H]2C=CCCC2)C(C)(C)C1=O ZINC000186514366 385768029 /nfs/dbraw/zinc/76/80/29/385768029.db2.gz VAFYIDROTFUVQL-GFCCVEGCSA-N 0 1 236.359 2.038 20 0 BEADMN CCSCCNCc1nccn1CC(C)C ZINC000309652181 385769749 /nfs/dbraw/zinc/76/97/49/385769749.db2.gz ONLIHAMQKPCIPI-UHFFFAOYSA-N 0 1 241.404 2.382 20 0 BEADMN CCc1ccc([C@H](C)NC[C@@H](O)C(F)F)o1 ZINC000309657129 385777343 /nfs/dbraw/zinc/77/73/43/385777343.db2.gz QFXZAQLJGLYKPV-IONNQARKSA-N 0 1 233.258 2.119 20 0 BEADMN CCN(CCc1ccccc1)Cc1ccn(C)n1 ZINC000271073800 385781569 /nfs/dbraw/zinc/78/15/69/385781569.db2.gz NAYMYOVJGJBDLA-UHFFFAOYSA-N 0 1 243.354 2.485 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCC=CO2)c1 ZINC000186698316 385782256 /nfs/dbraw/zinc/78/22/56/385782256.db2.gz BYXISNPQOCASEZ-NSHDSACASA-N 0 1 204.273 2.495 20 0 BEADMN Cn1ncc(Cl)c1CN[C@@H]1CC12CCCC2 ZINC000309593256 385722871 /nfs/dbraw/zinc/72/28/71/385722871.db2.gz SZMMNIPGWOUYLG-LLVKDONJSA-N 0 1 239.750 2.496 20 0 BEADMN COC(=O)C(C)(C)CCNc1cc(C)ccn1 ZINC000354158879 385801226 /nfs/dbraw/zinc/80/12/26/385801226.db2.gz RBTXQFFGGJMZEJ-UHFFFAOYSA-N 0 1 236.315 2.391 20 0 BEADMN CCCCNC(=O)CN1CCCC(C)(C)C1 ZINC000112702122 385856607 /nfs/dbraw/zinc/85/66/07/385856607.db2.gz AINUGZUKKBVJNY-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN Cc1sccc1CN1CC2(C1)CCOC2 ZINC000294100244 385806621 /nfs/dbraw/zinc/80/66/21/385806621.db2.gz SAACYJUYWZPXLC-UHFFFAOYSA-N 0 1 223.341 2.279 20 0 BEADMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCCC1 ZINC000271302926 385815638 /nfs/dbraw/zinc/81/56/38/385815638.db2.gz PFFNZDVEZDPZJL-SNVBAGLBSA-N 0 1 243.310 2.230 20 0 BEADMN C[C@H](NCCNc1ccccn1)c1nccs1 ZINC000271361376 385820905 /nfs/dbraw/zinc/82/09/05/385820905.db2.gz FOQRQQIKJOAMGH-JTQLQIEISA-N 0 1 248.355 2.301 20 0 BEADMN CCN1CCN(C(=O)CCCC2CC2)C[C@H]1C ZINC000643235706 385857744 /nfs/dbraw/zinc/85/77/44/385857744.db2.gz FIELTUHPPQQIPQ-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C1=CCCCC1 ZINC000283682935 385828663 /nfs/dbraw/zinc/82/86/63/385828663.db2.gz GJEPTRNEJMMVIJ-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1ccno1 ZINC000271442813 385828964 /nfs/dbraw/zinc/82/89/64/385828964.db2.gz BOUWFVRHCPVNKO-VIFPVBQESA-N 0 1 214.334 2.248 20 0 BEADMN COc1nccnc1CN([C@@H](C)C(C)C)C1CC1 ZINC000294320013 385837303 /nfs/dbraw/zinc/83/73/03/385837303.db2.gz WODZXSVAWCOLPK-NSHDSACASA-N 0 1 249.358 2.494 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1ccc2cncn2c1 ZINC000283925346 385840516 /nfs/dbraw/zinc/84/05/16/385840516.db2.gz JHMPFAOVHCZHLT-JTQLQIEISA-N 0 1 243.310 2.205 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@H]2C(C)C)[nH]1 ZINC000294021100 385789611 /nfs/dbraw/zinc/78/96/11/385789611.db2.gz TYULFYMFKLNQMT-LLVKDONJSA-N 0 1 235.331 2.225 20 0 BEADMN CS[C@H]1CCN(Cc2nc(C)cs2)C1 ZINC000294480054 385856098 /nfs/dbraw/zinc/85/60/98/385856098.db2.gz WXUZUMIXMOZVFK-VIFPVBQESA-N 0 1 228.386 2.389 20 0 BEADMN CC(C)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000647799083 385797203 /nfs/dbraw/zinc/79/72/03/385797203.db2.gz VTQCLTWRCXWBJH-UHFFFAOYSA-N 0 1 233.271 2.253 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000294710398 385886348 /nfs/dbraw/zinc/88/63/48/385886348.db2.gz VWZYANDIRSTFDS-VHSXEESVSA-N 0 1 236.319 2.268 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000294717826 385887430 /nfs/dbraw/zinc/88/74/30/385887430.db2.gz FXHKJCRRLHMFLW-RYUDHWBXSA-N 0 1 249.358 2.353 20 0 BEADMN CCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272240976 385887747 /nfs/dbraw/zinc/88/77/47/385887747.db2.gz NLWGBIYSFAJUKN-UHFFFAOYSA-N 0 1 235.331 2.224 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000262810788 385889436 /nfs/dbraw/zinc/88/94/36/385889436.db2.gz YDAPIZRAPDAHBQ-CYBMUJFWSA-N 0 1 248.326 2.038 20 0 BEADMN Fc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000294830054 385901681 /nfs/dbraw/zinc/90/16/81/385901681.db2.gz PXOQAPGQWNRFBX-UHFFFAOYSA-N 0 1 246.289 2.111 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2cn[nH]c2)n[nH]1 ZINC000285157027 385903171 /nfs/dbraw/zinc/90/31/71/385903171.db2.gz MKVAZYHBDDOOSG-IUCAKERBSA-N 0 1 248.334 2.063 20 0 BEADMN Cc1c[nH]nc1CNc1ccc2c(n1)CCC2 ZINC000294850862 385903728 /nfs/dbraw/zinc/90/37/28/385903728.db2.gz NMFFBUGVANMWLH-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)COC(C)C ZINC000272484111 385907456 /nfs/dbraw/zinc/90/74/56/385907456.db2.gz SCZFXHFVWDNNKX-UHFFFAOYSA-N 0 1 247.245 2.019 20 0 BEADMN CCC[C@H](O)CN(C)Cc1ccc(Cl)nc1 ZINC000294895905 385912087 /nfs/dbraw/zinc/91/20/87/385912087.db2.gz GPIKBEWUVAKIJE-NSHDSACASA-N 0 1 242.750 2.328 20 0 BEADMN FCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285303865 385913604 /nfs/dbraw/zinc/91/36/04/385913604.db2.gz HNIYKOLWTDONQV-LLVKDONJSA-N 0 1 211.284 2.296 20 0 BEADMN CC(C)c1nc(CNc2cccc(F)n2)n[nH]1 ZINC000294934025 385919421 /nfs/dbraw/zinc/91/94/21/385919421.db2.gz KMHMCIFTAKFGOZ-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1cncs1 ZINC000122449175 385920157 /nfs/dbraw/zinc/92/01/57/385920157.db2.gz RCORAXUSOZXSRS-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN Cc1cccc(-c2nc([C@@H](N)CC(C)C)no2)n1 ZINC000342032076 385923231 /nfs/dbraw/zinc/92/32/31/385923231.db2.gz YELBXVCEETWEST-JTQLQIEISA-N 0 1 246.314 2.486 20 0 BEADMN Cc1cnccc1CN(C)C[C@H]1CCCCO1 ZINC000294948538 385925124 /nfs/dbraw/zinc/92/51/24/385925124.db2.gz VKLZBTRWOZVIQD-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1cccc(-c2nc([C@H](N)CC(C)C)no2)n1 ZINC000342032077 385925356 /nfs/dbraw/zinc/92/53/56/385925356.db2.gz YELBXVCEETWEST-SNVBAGLBSA-N 0 1 246.314 2.486 20 0 BEADMN Cc1nocc1C[N@@H+]1CCSCC[C@@H]1C ZINC000294520584 385860525 /nfs/dbraw/zinc/86/05/25/385860525.db2.gz CLSPFOGTFVPCIH-VIFPVBQESA-N 0 1 226.345 2.310 20 0 BEADMN Cc1nocc1CN1CCCC2(CC2)C1 ZINC000294615187 385874416 /nfs/dbraw/zinc/87/44/16/385874416.db2.gz IUPNYPCINYFWFG-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCc1ccc(CN(C)C(=O)c2cnc[nH]2)cc1 ZINC000338017292 385875832 /nfs/dbraw/zinc/87/58/32/385875832.db2.gz IVZJBPKHXUPCRF-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN Cc1cnccc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000294665166 385880146 /nfs/dbraw/zinc/88/01/46/385880146.db2.gz CHPHSHPVMTXNML-GFCCVEGCSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000262737595 385880194 /nfs/dbraw/zinc/88/01/94/385880194.db2.gz AVBDBNOWHQCNTD-YPMHNXCESA-N 0 1 248.326 2.036 20 0 BEADMN CCCCC[C@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000294664619 385880365 /nfs/dbraw/zinc/88/03/65/385880365.db2.gz ACNPUFNNTLXKBW-AAEUAGOBSA-N 0 1 249.358 2.166 20 0 BEADMN CCc1ccc(CNCc2n[nH]c(C3CC3)n2)o1 ZINC000294664436 385880692 /nfs/dbraw/zinc/88/06/92/385880692.db2.gz AJONMHMHYHWWQD-UHFFFAOYSA-N 0 1 246.314 2.127 20 0 BEADMN CC(C)c1nc(CNCc2cccs2)n[nH]1 ZINC000294677479 385882854 /nfs/dbraw/zinc/88/28/54/385882854.db2.gz BGUXGOLQSXIACG-UHFFFAOYSA-N 0 1 236.344 2.279 20 0 BEADMN CC[C@H](CO)[N@@H+](C)Cc1cc(C)ccc1F ZINC000295141071 385978127 /nfs/dbraw/zinc/97/81/27/385978127.db2.gz PVQLLCQSRAVRON-GFCCVEGCSA-N 0 1 225.307 2.337 20 0 BEADMN CO[C@H]1CCN([C@H](C)c2cnccn2)CC1(C)C ZINC000295155876 385981829 /nfs/dbraw/zinc/98/18/29/385981829.db2.gz AQKSNXDNGMSHIY-YPMHNXCESA-N 0 1 249.358 2.285 20 0 BEADMN CN(Cc1ccccc1OC1CC1)C1(CO)CC1 ZINC000295162592 385982292 /nfs/dbraw/zinc/98/22/92/385982292.db2.gz HDOVJPFNGMRKSS-UHFFFAOYSA-N 0 1 247.338 2.185 20 0 BEADMN Cc1ccnc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000285989109 385983401 /nfs/dbraw/zinc/98/34/01/385983401.db2.gz IAKOIGXFIFCCOI-STQMWFEESA-N 0 1 233.359 2.135 20 0 BEADMN C[C@H](NCC1(C(F)(F)F)CC1)c1ccn(C)n1 ZINC000414140408 385986078 /nfs/dbraw/zinc/98/60/78/385986078.db2.gz HYVVWNQNTJZCRK-QMMMGPOBSA-N 0 1 247.264 2.413 20 0 BEADMN CC[C@@H](C)N1CCN(Cc2cncs2)CC1 ZINC000295205402 385991372 /nfs/dbraw/zinc/99/13/72/385991372.db2.gz KTYRAPZGWXCMRY-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC[C@@H]2CC)n1 ZINC000286050489 385992270 /nfs/dbraw/zinc/99/22/70/385992270.db2.gz ISIXOCQDLLVMPY-JQWIXIFHSA-N 0 1 249.358 2.413 20 0 BEADMN COc1nccnc1CN1CC[C@H](C)C[C@H]1C ZINC000294972594 385931996 /nfs/dbraw/zinc/93/19/96/385931996.db2.gz WYHJEZIFAXUART-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CCCCN1CC[S@](=O)C(C)(C)CC1 ZINC000335041561 385932729 /nfs/dbraw/zinc/93/27/29/385932729.db2.gz PUEILYQDCMMQID-AWEZNQCLSA-N 0 1 217.378 2.020 20 0 BEADMN CCC1(CC)CCN(Cc2nccnc2OC)C1 ZINC000294989581 385935204 /nfs/dbraw/zinc/93/52/04/385935204.db2.gz YBPIYEIXIJRDBQ-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN COc1nccnc1CN1C[C@@H](C)CC[C@@H]1C ZINC000294997920 385937791 /nfs/dbraw/zinc/93/77/91/385937791.db2.gz YMMJXWNZPRJJOC-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CS[C@H]1CCN(Cc2ncc(C)s2)C1 ZINC000295003631 385940246 /nfs/dbraw/zinc/94/02/46/385940246.db2.gz ISSFMFJWCZSDHR-VIFPVBQESA-N 0 1 228.386 2.389 20 0 BEADMN CCOc1cccc(CN[C@H]2C[C@@H]2C(F)F)n1 ZINC000342185288 385941792 /nfs/dbraw/zinc/94/17/92/385941792.db2.gz CJWYTGFGTAXTSD-UWVGGRQHSA-N 0 1 242.269 2.224 20 0 BEADMN CC[C@H](NCc1occc1C)[C@H](O)C(F)F ZINC000295008363 385942471 /nfs/dbraw/zinc/94/24/71/385942471.db2.gz JDOCBRZQUBDWHH-WPRPVWTQSA-N 0 1 233.258 2.082 20 0 BEADMN CC[C@H]1CCCN(Cc2nccnc2OC)CC1 ZINC000295017512 385944014 /nfs/dbraw/zinc/94/40/14/385944014.db2.gz ZTUJQBHYUITHNV-LBPRGKRZSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@@H](C)OCc1nc(C2(N)CCCC2)no1 ZINC000414611511 385945046 /nfs/dbraw/zinc/94/50/46/385945046.db2.gz CJAJAXVVOZMBJB-SECBINFHSA-N 0 1 239.319 2.113 20 0 BEADMN C[C@@H](NC[C@@H]1CCCCO1)c1cc2n(n1)CCC2 ZINC000414069885 385945566 /nfs/dbraw/zinc/94/55/66/385945566.db2.gz KSFGPBVUCIOXEX-YPMHNXCESA-N 0 1 249.358 2.049 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@@H]2C(F)F)n1 ZINC000414614996 385952169 /nfs/dbraw/zinc/95/21/69/385952169.db2.gz HYEABFOPBXVEMX-FXQIFTODSA-N 0 1 245.273 2.484 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)C2)s1 ZINC000338301871 385952754 /nfs/dbraw/zinc/95/27/54/385952754.db2.gz APRXVNYUQGGTNY-CIUDSAMLSA-N 0 1 225.361 2.495 20 0 BEADMN Cc1nc2cccc(C(=O)NC(C)(C)CF)c2[nH]1 ZINC000335057934 385958217 /nfs/dbraw/zinc/95/82/17/385958217.db2.gz UBETVZQGWXLNFO-UHFFFAOYSA-N 0 1 249.289 2.349 20 0 BEADMN CC[C@H](NCc1ccc(C)o1)[C@@H](O)C(F)F ZINC000295075913 385959943 /nfs/dbraw/zinc/95/99/43/385959943.db2.gz PSCSMHRZESYROU-VHSXEESVSA-N 0 1 233.258 2.082 20 0 BEADMN CC[C@H](NCc1ccc(C)o1)[C@H](O)C(F)F ZINC000295075908 385960068 /nfs/dbraw/zinc/96/00/68/385960068.db2.gz PSCSMHRZESYROU-UWVGGRQHSA-N 0 1 233.258 2.082 20 0 BEADMN CO[C@@H](CN(C)Cc1cnc(C)s1)C1CC1 ZINC000425402265 385963968 /nfs/dbraw/zinc/96/39/68/385963968.db2.gz GECDIUUKMDMGTC-LBPRGKRZSA-N 0 1 240.372 2.308 20 0 BEADMN Cc1ccc([C@H](C)NCN2CCC(=O)CC2)cc1 ZINC000273049430 385964411 /nfs/dbraw/zinc/96/44/11/385964411.db2.gz HOOGJPQTPFJCBE-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CCC[C@H](C)[N@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000338314364 385966313 /nfs/dbraw/zinc/96/63/13/385966313.db2.gz ISZXQKWKMQJWRU-JTQLQIEISA-N 0 1 237.347 2.365 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000338314364 385966318 /nfs/dbraw/zinc/96/63/18/385966318.db2.gz ISZXQKWKMQJWRU-JTQLQIEISA-N 0 1 237.347 2.365 20 0 BEADMN CC(C)(C)CCCCC(=O)NCc1nnc[nH]1 ZINC000286090892 385994315 /nfs/dbraw/zinc/99/43/15/385994315.db2.gz TVTOCYJZUMJILO-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CC1(C(=O)Nc2cccc(Cl)c2O)COC1 ZINC000273109904 385970059 /nfs/dbraw/zinc/97/00/59/385970059.db2.gz WBWLVMQZBQXDJU-UHFFFAOYSA-N 0 1 241.674 2.021 20 0 BEADMN Cc1cnn(CCN[C@@H](C)c2ccncc2F)c1 ZINC000338360040 385970717 /nfs/dbraw/zinc/97/07/17/385970717.db2.gz RDTYSAOFXLTNIW-NSHDSACASA-N 0 1 248.305 2.076 20 0 BEADMN C[C@@H](O)CN1CC(c2nc3ccccc3s2)C1 ZINC000335015368 385970819 /nfs/dbraw/zinc/97/08/19/385970819.db2.gz SBYKWQCYRDWSTQ-SECBINFHSA-N 0 1 248.351 2.076 20 0 BEADMN COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)nn1 ZINC000338361167 385971292 /nfs/dbraw/zinc/97/12/92/385971292.db2.gz PIZSTKQHHFMZIX-ZYHUDNBSSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@H](Cc1ccncc1)NCc1cscn1 ZINC000336747408 385972896 /nfs/dbraw/zinc/97/28/96/385972896.db2.gz SAAFUKDYTLMDRW-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN COc1ccc(CN2CCC(CF)CC2)cn1 ZINC000295126505 385973699 /nfs/dbraw/zinc/97/36/99/385973699.db2.gz XKXGSQJLVNIOEL-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN CCCC[N@@H+](CC(N)=O)Cc1ccsc1C ZINC000295245332 385998920 /nfs/dbraw/zinc/99/89/20/385998920.db2.gz FLAONUGMYLOSDD-UHFFFAOYSA-N 0 1 240.372 2.144 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccsc1C ZINC000295245332 385998925 /nfs/dbraw/zinc/99/89/25/385998925.db2.gz FLAONUGMYLOSDD-UHFFFAOYSA-N 0 1 240.372 2.144 20 0 BEADMN CC[C@@H](C)[C@H](O)CNc1ccnc(C)c1Cl ZINC000336749841 385998991 /nfs/dbraw/zinc/99/89/91/385998991.db2.gz ZESWDQZHVAYKNV-LDYMZIIASA-N 0 1 242.750 2.284 20 0 BEADMN CCN(CC(=O)NCC(C)(C)C(C)C)C1CC1 ZINC000189439176 386001066 /nfs/dbraw/zinc/00/10/66/386001066.db2.gz CGMRJGCKKRSTFI-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)c1ccccc1C ZINC000295263973 386001469 /nfs/dbraw/zinc/00/14/69/386001469.db2.gz VEFZYVYUHYZOLS-MRVWCRGKSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc(CCc2nc(C3(N)CCC3)no2)o1 ZINC000414630227 386004533 /nfs/dbraw/zinc/00/45/33/386004533.db2.gz SRTJKAVLZVZJFZ-UHFFFAOYSA-N 0 1 247.298 2.094 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414115979 386007877 /nfs/dbraw/zinc/00/78/77/386007877.db2.gz QAMFYDMMIDZZNO-CMPLNLGQSA-N 0 1 239.363 2.132 20 0 BEADMN C[N@@H+](CCc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000414634236 386012904 /nfs/dbraw/zinc/01/29/04/386012904.db2.gz BIRWCHXEBSBQHA-UHFFFAOYSA-N 0 1 245.681 2.038 20 0 BEADMN CC(C)=CCN[C@H](C)c1cc2n(n1)CCC2 ZINC000414121906 386013690 /nfs/dbraw/zinc/01/36/90/386013690.db2.gz AFHBLOOLCIULNA-LLVKDONJSA-N 0 1 219.332 2.446 20 0 BEADMN CC[C@H](C)n1nc(NCc2cn[nH]c2C)cc1C ZINC000345156798 386017130 /nfs/dbraw/zinc/01/71/30/386017130.db2.gz CEIAUBAQSOPWOY-VIFPVBQESA-N 0 1 247.346 2.228 20 0 BEADMN C[C@H]1C[C@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334433568 386056465 /nfs/dbraw/zinc/05/64/65/386056465.db2.gz MTXOVYBYDBZDMF-UWVGGRQHSA-N 0 1 247.342 2.405 20 0 BEADMN CCN1CCN(C(=O)CCCC2CC2)[C@@H](C)C1 ZINC000643270883 386019733 /nfs/dbraw/zinc/01/97/33/386019733.db2.gz WVPRNOLHYQMRKE-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cccc(C(C)=O)c2)C1 ZINC000295385846 386023756 /nfs/dbraw/zinc/02/37/56/386023756.db2.gz UOUJUDTXHAJLPW-GASCZTMLSA-N 0 1 247.338 2.498 20 0 BEADMN Cc1ccoc1CN(C)CCc1cnccn1 ZINC000273766826 386032479 /nfs/dbraw/zinc/03/24/79/386032479.db2.gz QFIVWYCQQHARBB-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000117883701 386037495 /nfs/dbraw/zinc/03/74/95/386037495.db2.gz YHCPPIGTQWTOII-NSHDSACASA-N 0 1 247.404 2.074 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCC12CCCCC2 ZINC000334429242 386040729 /nfs/dbraw/zinc/04/07/29/386040729.db2.gz YTMIMZRHSGYTHI-UHFFFAOYSA-N 0 1 233.315 2.349 20 0 BEADMN CS[C@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000335074581 386040709 /nfs/dbraw/zinc/04/07/09/386040709.db2.gz AGVDSBDDZPGEAZ-RXMQYKEDSA-N 0 1 247.266 2.360 20 0 BEADMN CC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000295593113 386057190 /nfs/dbraw/zinc/05/71/90/386057190.db2.gz TUAHNRPLYUELBC-UHFFFAOYSA-N 0 1 247.338 2.094 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C=C2CC[C@H](C)C2)n[nH]1 ZINC000286450993 386041903 /nfs/dbraw/zinc/04/19/03/386041903.db2.gz RZABBIXCDFUPLH-AGNDYLJSSA-N 0 1 248.330 2.037 20 0 BEADMN C[C@@H](O)C[C@@H](C)CNCc1ncc(Cl)s1 ZINC000336771992 386057430 /nfs/dbraw/zinc/05/74/30/386057430.db2.gz XVYSELGRNAIGOU-HTQZYQBOSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cn[nH]c1 ZINC000222476907 386046536 /nfs/dbraw/zinc/04/65/36/386046536.db2.gz ULRJDXVBWDUESW-VHSXEESVSA-N 0 1 216.288 2.217 20 0 BEADMN CCC1CN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000335077710 386048891 /nfs/dbraw/zinc/04/88/91/386048891.db2.gz USINQMKDBSGVJB-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN COC[C@H]1C[N@H+]([C@H]2/C=C/CCCCC2)CCO1 ZINC000334440122 386050516 /nfs/dbraw/zinc/05/05/16/386050516.db2.gz VWWUDCGMOAFKNY-CXSYMGSUSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@H]1CN([C@H]2/C=C/CCCCC2)CCO1 ZINC000334440122 386050520 /nfs/dbraw/zinc/05/05/20/386050520.db2.gz VWWUDCGMOAFKNY-CXSYMGSUSA-N 0 1 239.359 2.223 20 0 BEADMN CCC1CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000335078698 386051479 /nfs/dbraw/zinc/05/14/79/386051479.db2.gz OMMBEVLWYFPQOI-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@@](C)(F)C1 ZINC000338565022 386053696 /nfs/dbraw/zinc/05/36/96/386053696.db2.gz KQORJPJOVKTKCN-GFCCVEGCSA-N 0 1 231.311 2.010 20 0 BEADMN CO[C@@](C)([C@@H](C)N[C@@H]1CCn2ccnc21)C1CC1 ZINC000414244718 386054878 /nfs/dbraw/zinc/05/48/78/386054878.db2.gz SJEDKQLMZWEXPH-QKCSRTOESA-N 0 1 249.358 2.121 20 0 BEADMN CCC[C@@H](N[C@@H](C)C(=O)NCC)c1cccnc1 ZINC000273383783 385995523 /nfs/dbraw/zinc/99/55/23/385995523.db2.gz IUFYZRAGUPIFAK-WCQYABFASA-N 0 1 249.358 2.037 20 0 BEADMN CC(C)c1nnc(CSc2c[nH]nn2)s1 ZINC000295906815 386102712 /nfs/dbraw/zinc/10/27/12/386102712.db2.gz FLJCQHAQONUQOC-UHFFFAOYSA-N 0 1 241.345 2.072 20 0 BEADMN Cc1nsc(NCC2CCC(F)CC2)n1 ZINC000645390279 386104234 /nfs/dbraw/zinc/10/42/34/386104234.db2.gz ZKFGQVLXOIBOPH-UHFFFAOYSA-N 0 1 229.324 2.209 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc(C)on1)[C@H](O)C(C)C ZINC000414298607 386106907 /nfs/dbraw/zinc/10/69/07/386106907.db2.gz QVFWJWPSECCRDA-GMXVVIOVSA-N 0 1 240.347 2.429 20 0 BEADMN CCn1ccnc1NCc1cncc(F)c1 ZINC000414298669 386107044 /nfs/dbraw/zinc/10/70/44/386107044.db2.gz JSTLWJZBHADJAT-UHFFFAOYSA-N 0 1 220.251 2.049 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1 ZINC000037976789 386110272 /nfs/dbraw/zinc/11/02/72/386110272.db2.gz HIOVBJHLICBWOJ-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN Cn1cccc1CN1CCC[C@@](C)(F)C1 ZINC000295965628 386113015 /nfs/dbraw/zinc/11/30/15/386113015.db2.gz IDDUHYNURDRZJR-GFCCVEGCSA-N 0 1 210.296 2.349 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000162809530 386114256 /nfs/dbraw/zinc/11/42/56/386114256.db2.gz IWABQXSTSWSKKE-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1ccc(O)c(CN2CCC[C@@](C)(F)C2)n1 ZINC000295973764 386116361 /nfs/dbraw/zinc/11/63/61/386116361.db2.gz IVFBBBNIZFZDTK-CYBMUJFWSA-N 0 1 238.306 2.420 20 0 BEADMN C[C@@H](NCc1nnc(C2CC2)s1)C1CC1 ZINC000414325472 386121605 /nfs/dbraw/zinc/12/16/05/386121605.db2.gz MFRXJXYLRVFIJW-SSDOTTSWSA-N 0 1 223.345 2.304 20 0 BEADMN CC[C@@]1(CO)CCCN1Cc1nc(C)c(C)o1 ZINC000189676797 386059405 /nfs/dbraw/zinc/05/94/05/386059405.db2.gz PGCQEZCAACQCBD-ZDUSSCGKSA-N 0 1 238.331 2.028 20 0 BEADMN CC(C)CC[C@H](C)NCc1nc2ncccn2n1 ZINC000414252765 386059915 /nfs/dbraw/zinc/05/99/15/386059915.db2.gz BBKDCEGGQFWYTL-NSHDSACASA-N 0 1 247.346 2.039 20 0 BEADMN CCc1ccc(CN2CC[C@](F)(CO)C2)cc1 ZINC000338588666 386063452 /nfs/dbraw/zinc/06/34/52/386063452.db2.gz YYSDBZVOTDPZGF-CQSZACIVSA-N 0 1 237.318 2.155 20 0 BEADMN CC[C@H](C)[C@H](OC)c1nc(C2(N)CCC2)no1 ZINC000414648872 386065546 /nfs/dbraw/zinc/06/55/46/386065546.db2.gz SMVVHPAYXJZJKP-IUCAKERBSA-N 0 1 239.319 2.141 20 0 BEADMN C[C@@H](CO)[C@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000295638811 386067056 /nfs/dbraw/zinc/06/70/56/386067056.db2.gz BZBSIAUHRTVLIH-DCAQKATOSA-N 0 1 248.326 2.495 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(OC)c(C)c1 ZINC000354057013 386068179 /nfs/dbraw/zinc/06/81/79/386068179.db2.gz PIVZOUOOUNXECR-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN Cc1ccc(CCN2CCOCC23CC3)cc1 ZINC000338598197 386070504 /nfs/dbraw/zinc/07/05/04/386070504.db2.gz PMRSSCIWBGKHQR-UHFFFAOYSA-N 0 1 231.339 2.402 20 0 BEADMN CCn1ccc(CN[C@@H](COC)CC(C)C)n1 ZINC000414215729 386071024 /nfs/dbraw/zinc/07/10/24/386071024.db2.gz YKGWHEPCCRABGC-CYBMUJFWSA-N 0 1 239.363 2.054 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1nccs1 ZINC000414219863 386071913 /nfs/dbraw/zinc/07/19/13/386071913.db2.gz HXAMWDXWSXTYLD-XFWSIPNHSA-N 0 1 226.345 2.360 20 0 BEADMN CCC[C@@]1(NCc2cscn2)CCOC1 ZINC000336772699 386072209 /nfs/dbraw/zinc/07/22/09/386072209.db2.gz XZWYIYQROCHRLI-LLVKDONJSA-N 0 1 226.345 2.192 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1nccs1 ZINC000414219862 386072208 /nfs/dbraw/zinc/07/22/08/386072208.db2.gz HXAMWDXWSXTYLD-UTINFBMNSA-N 0 1 226.345 2.360 20 0 BEADMN C[C@H]1[C@H](C)N(Cc2ncc(C3CC3)o2)CCN1C ZINC000334447583 386076412 /nfs/dbraw/zinc/07/64/12/386076412.db2.gz QIIFTLRCZCCMSM-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN CC1(C)CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000345244748 386077428 /nfs/dbraw/zinc/07/74/28/386077428.db2.gz GPQXPOCEYHOZBH-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1ccccc1CN1CC[C@@](F)(CO)C1 ZINC000338627752 386082878 /nfs/dbraw/zinc/08/28/78/386082878.db2.gz XIRCQTBFYWACOJ-AWEZNQCLSA-N 0 1 237.318 2.155 20 0 BEADMN CC[C@@H](NCc1nc2ncccn2n1)C(C)(C)C ZINC000414268784 386086352 /nfs/dbraw/zinc/08/63/52/386086352.db2.gz KGDUAJQBWDICBT-SNVBAGLBSA-N 0 1 247.346 2.039 20 0 BEADMN Cc1nc(CN(C)CCc2ccccc2C)n[nH]1 ZINC000295794333 386087477 /nfs/dbraw/zinc/08/74/77/386087477.db2.gz VMZGZYCFJICTLP-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN C[C@@H](CO)N(C)Cc1cc(Cl)ccc1F ZINC000189751008 386087989 /nfs/dbraw/zinc/08/79/89/386087989.db2.gz JBVWIJNGDTWEMO-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000345283068 386088627 /nfs/dbraw/zinc/08/86/27/386088627.db2.gz JBQKTHGNLLFOKD-JFGNBEQYSA-N 0 1 249.358 2.202 20 0 BEADMN CC/C=C/CNC(=O)Cc1[nH]nc2ccccc21 ZINC000296025501 386122917 /nfs/dbraw/zinc/12/29/17/386122917.db2.gz VHPWTAJNIZVQIQ-ZZXKWVIFSA-N 0 1 243.310 2.188 20 0 BEADMN C[C@@H](NCCCCO)c1c(F)cccc1F ZINC000235209832 386144581 /nfs/dbraw/zinc/14/45/81/386144581.db2.gz JQKKQRCNOICVMF-SECBINFHSA-N 0 1 229.270 2.388 20 0 BEADMN COc1cc(C)ccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000414674542 386149434 /nfs/dbraw/zinc/14/94/34/386149434.db2.gz FJUUMWWZCNGKAW-LBPRGKRZSA-N 0 1 249.310 2.053 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(CO)cc1 ZINC000163415249 386163233 /nfs/dbraw/zinc/16/32/33/386163233.db2.gz CWJZQIONJRTZAB-DOMZBBRYSA-N 0 1 249.354 2.178 20 0 BEADMN CCN(C(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000263658327 386163726 /nfs/dbraw/zinc/16/37/26/386163726.db2.gz DBINUISFXVRGDT-ZDUSSCGKSA-N 0 1 246.354 2.381 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@H](C)C1 ZINC000263695119 386167759 /nfs/dbraw/zinc/16/77/59/386167759.db2.gz KPJYDVQUUNHGOI-NSHDSACASA-N 0 1 207.321 2.306 20 0 BEADMN CCc1nsc(NC[C@H](C)CC(F)F)n1 ZINC000645305068 386170447 /nfs/dbraw/zinc/17/04/47/386170447.db2.gz PMVBPTZBAZFLIY-ZCFIWIBFSA-N 0 1 235.303 2.226 20 0 BEADMN CCc1ccc(CN(CC)CCOC)nc1 ZINC000338922696 386178727 /nfs/dbraw/zinc/17/87/27/386178727.db2.gz BYEGYDYHKXUGJF-UHFFFAOYSA-N 0 1 222.332 2.112 20 0 BEADMN CC[C@@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000296508401 386180101 /nfs/dbraw/zinc/18/01/01/386180101.db2.gz PKQWJKNWAIFLMI-SSDOTTSWSA-N 0 1 233.237 2.384 20 0 BEADMN CC(C)c1scnc1NS(=O)(=O)C1CC1 ZINC000288292360 386181581 /nfs/dbraw/zinc/18/15/81/386181581.db2.gz RYJLWNVWQAKNNP-UHFFFAOYSA-N 0 1 246.357 2.171 20 0 BEADMN CN(C)CC(=O)NC(C)(C)CCc1ccccc1 ZINC000263849331 386182231 /nfs/dbraw/zinc/18/22/31/386182231.db2.gz MQOIJRCIEHUHQZ-UHFFFAOYSA-N 0 1 248.370 2.076 20 0 BEADMN CCN(C)C(=O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000263871918 386185082 /nfs/dbraw/zinc/18/50/82/386185082.db2.gz FYKAKYCQXUPDHS-ZDUSSCGKSA-N 0 1 248.370 2.200 20 0 BEADMN CCN(C)C(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000263871918 386185087 /nfs/dbraw/zinc/18/50/87/386185087.db2.gz FYKAKYCQXUPDHS-ZDUSSCGKSA-N 0 1 248.370 2.200 20 0 BEADMN CC/C=C/CN[C@@H](c1nccn1C)C1CC1 ZINC000296568586 386185428 /nfs/dbraw/zinc/18/54/28/386185428.db2.gz STUQQVQKRIPOFD-ZYOFXKKJSA-N 0 1 219.332 2.427 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC(C)(C)C1 ZINC000335131623 386131528 /nfs/dbraw/zinc/13/15/28/386131528.db2.gz CKAMPPUFBOJWPD-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)n2)CC(C)(C)C1 ZINC000335131623 386131530 /nfs/dbraw/zinc/13/15/30/386131530.db2.gz CKAMPPUFBOJWPD-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN CCN(CCOC1CCC1)Cc1ccccn1 ZINC000287577574 386134772 /nfs/dbraw/zinc/13/47/72/386134772.db2.gz CAXCAGRWSKBQFQ-UHFFFAOYSA-N 0 1 234.343 2.473 20 0 BEADMN CC(C)c1nccc(N2C[C@@H](C)N(C)[C@H](C)C2)n1 ZINC000338796809 386137327 /nfs/dbraw/zinc/13/73/27/386137327.db2.gz VPHBLXKBGGXYLF-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN Fc1ccc(F)c(CNCCOCC2CC2)c1 ZINC000224527621 386141884 /nfs/dbraw/zinc/14/18/84/386141884.db2.gz YWHYTZFQTNUGII-UHFFFAOYSA-N 0 1 241.281 2.481 20 0 BEADMN Fc1cccc(CNCCOCC2CC2)c1F ZINC000224532541 386141968 /nfs/dbraw/zinc/14/19/68/386141968.db2.gz POFSGZUEBQOORR-UHFFFAOYSA-N 0 1 241.281 2.481 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340528317 386142393 /nfs/dbraw/zinc/14/23/93/386142393.db2.gz VSEPMDOKIIAPMD-MDZLAQPJSA-N 0 1 237.322 2.278 20 0 BEADMN COC(=O)c1ccoc1CN1CCCC1(C)C ZINC000263994822 386200699 /nfs/dbraw/zinc/20/06/99/386200699.db2.gz LLPZTSFYXDZHRD-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CSc1cc(CN[C@@H](C)c2cn[nH]c2)ccn1 ZINC000453156578 386201035 /nfs/dbraw/zinc/20/10/35/386201035.db2.gz XDMAHIBMUDTQRM-VIFPVBQESA-N 0 1 248.355 2.377 20 0 BEADMN CCC[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000347062194 386209864 /nfs/dbraw/zinc/20/98/64/386209864.db2.gz WVVRNYUPSQZOIL-RYUDHWBXSA-N 0 1 236.363 2.388 20 0 BEADMN CC[C@@H](C)CN(CC)[C@H](C)c1nncn1C ZINC000347059533 386210677 /nfs/dbraw/zinc/21/06/77/386210677.db2.gz RZELLIUUOIXCAF-GHMZBOCLSA-N 0 1 224.352 2.244 20 0 BEADMN CC[C@H](O)CN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000339060078 386230294 /nfs/dbraw/zinc/23/02/94/386230294.db2.gz SBRADLYASWQCDG-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(C)(C)C(C)C ZINC000275754142 386236358 /nfs/dbraw/zinc/23/63/58/386236358.db2.gz DWJRJBOBRYCGDB-UHFFFAOYSA-N 0 1 223.320 2.017 20 0 BEADMN C[C@@H]1COC(C)(C)CN1CCOC1CCC1 ZINC000347125444 386236802 /nfs/dbraw/zinc/23/68/02/386236802.db2.gz RBRASDMNZMNWHN-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN CCC1(CC)CN(Cc2c[nH]nc2C)C1 ZINC000297301847 386242064 /nfs/dbraw/zinc/24/20/64/386242064.db2.gz BIGFUYWJOLLGJZ-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CCC1(CC)CN(Cc2cncn2C)C1 ZINC000297322259 386243800 /nfs/dbraw/zinc/24/38/00/386243800.db2.gz CUBSGCYZUPSTPM-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CCC1(CNCc2cc(COC)on2)CC1 ZINC000297352436 386246208 /nfs/dbraw/zinc/24/62/08/386246208.db2.gz FHRMTILSXDLKPW-UHFFFAOYSA-N 0 1 224.304 2.101 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@@H](C)C1 ZINC000288997502 386250162 /nfs/dbraw/zinc/25/01/62/386250162.db2.gz DSCPBZABFMBNHQ-ZDUSSCGKSA-N 0 1 234.343 2.043 20 0 BEADMN CC/C(C)=C/C(=O)NCc1ccc2cncn2c1 ZINC000297390853 386251349 /nfs/dbraw/zinc/25/13/49/386251349.db2.gz WZQNQPDUOYYKEY-IZZDOVSWSA-N 0 1 243.310 2.307 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000336646337 386253911 /nfs/dbraw/zinc/25/39/11/386253911.db2.gz KHCYGUNRLIVJFX-SNVBAGLBSA-N 0 1 209.337 2.206 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cc(C)n(C)n1 ZINC000336646337 386253917 /nfs/dbraw/zinc/25/39/17/386253917.db2.gz KHCYGUNRLIVJFX-SNVBAGLBSA-N 0 1 209.337 2.206 20 0 BEADMN CO[C@@H]1CN(Cc2cncc(F)c2)CC[C@H]1C ZINC000275963426 386255441 /nfs/dbraw/zinc/25/54/41/386255441.db2.gz KINCDZVGOWKWEK-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN Cc1nc(CN(C)C2CCOCC2)cs1 ZINC000336648208 386257330 /nfs/dbraw/zinc/25/73/30/386257330.db2.gz OAFWOGFFLFWGGP-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CC(C)c1nnc(Cn2cnc3c2CCCC3)[nH]1 ZINC000296661445 386192645 /nfs/dbraw/zinc/19/26/45/386192645.db2.gz JXWZYWRQKWTVGT-UHFFFAOYSA-N 0 1 245.330 2.052 20 0 BEADMN CSc1cc(CN[C@H](C)c2cn[nH]c2)ccn1 ZINC000453156577 386199193 /nfs/dbraw/zinc/19/91/93/386199193.db2.gz XDMAHIBMUDTQRM-SECBINFHSA-N 0 1 248.355 2.377 20 0 BEADMN C[C@](O)(CNCc1cscn1)c1ccccc1 ZINC000264885890 386281355 /nfs/dbraw/zinc/28/13/55/386281355.db2.gz RZIWPNYUDPRWQP-ZDUSSCGKSA-N 0 1 248.351 2.140 20 0 BEADMN CC(C)(C)[C@H]1CN(CCOC2CCC2)CCO1 ZINC000347211171 386285142 /nfs/dbraw/zinc/28/51/42/386285142.db2.gz QOXHDXCIMOPVKO-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN Clc1ccc(CN2CCc3n[nH]nc3C2)cc1 ZINC000347224686 386288895 /nfs/dbraw/zinc/28/88/95/386288895.db2.gz LRVIYOXAXKIQMZ-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN FC1(F)CC12CN(Cc1cccc3n[nH]cc31)C2 ZINC000628326517 386290515 /nfs/dbraw/zinc/29/05/15/386290515.db2.gz JZKBPTGJYPQVQS-UHFFFAOYSA-N 0 1 249.264 2.404 20 0 BEADMN CCSCCCNCc1cc(COC)on1 ZINC000298037932 386292200 /nfs/dbraw/zinc/29/22/00/386292200.db2.gz GXSMYEHVXQONRV-UHFFFAOYSA-N 0 1 244.360 2.054 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cc(C)n(C)n1 ZINC000336666535 386294279 /nfs/dbraw/zinc/29/42/79/386294279.db2.gz GGTORJAETNDAJQ-GFCCVEGCSA-N 0 1 241.404 2.302 20 0 BEADMN CCc1ncc(CN2CC[C@H]2C(C)C)cn1 ZINC000414401342 386299266 /nfs/dbraw/zinc/29/92/66/386299266.db2.gz NRYDWNFCWFEPSM-LBPRGKRZSA-N 0 1 219.332 2.269 20 0 BEADMN Cc1cccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)n1 ZINC000335265467 386299845 /nfs/dbraw/zinc/29/98/45/386299845.db2.gz GMLOAVDLLLJRFE-HNNXBMFYSA-N 0 1 247.386 2.162 20 0 BEADMN O=C([O-])CCCCCNc1cc[nH+]cc1Cl ZINC000416426514 386300708 /nfs/dbraw/zinc/30/07/08/386300708.db2.gz JRIDVOQJQQQAQK-UHFFFAOYSA-N 0 1 242.706 2.214 20 0 BEADMN Cc1cn[nH]c1CNc1cccc([S@](C)=O)c1 ZINC000289457241 386310307 /nfs/dbraw/zinc/31/03/07/386310307.db2.gz HPGDMIXFZZLTTO-KRWDZBQOSA-N 0 1 249.339 2.068 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1cccnc1 ZINC000265128965 386310748 /nfs/dbraw/zinc/31/07/48/386310748.db2.gz MMGCCAKPBFQLMX-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN COC[C@H](NCc1[nH]ncc1C)c1ccc(C)o1 ZINC000289470209 386310777 /nfs/dbraw/zinc/31/07/77/386310777.db2.gz JADOEFIASARVBH-LBPRGKRZSA-N 0 1 249.314 2.097 20 0 BEADMN CCCCN(Cc1cn2cccnc2n1)C1CC1 ZINC000298262605 386314399 /nfs/dbraw/zinc/31/43/99/386314399.db2.gz AWJKGBIRWXCBFA-UHFFFAOYSA-N 0 1 244.342 2.494 20 0 BEADMN Cc1cn[nH]c1CNCc1nc(C2CC2)cs1 ZINC000289498237 386315755 /nfs/dbraw/zinc/31/57/55/386315755.db2.gz LQVRZTQQODNCCV-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@H](C)c1cccnc1 ZINC000265179995 386316693 /nfs/dbraw/zinc/31/66/93/386316693.db2.gz LITLPUNOKPLLPL-SNVBAGLBSA-N 0 1 244.298 2.028 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000265210005 386318927 /nfs/dbraw/zinc/31/89/27/386318927.db2.gz DUOAYXREKISRMN-KCJUWKMLSA-N 0 1 235.331 2.335 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=C1CCC(C)CC1 ZINC000265216190 386319830 /nfs/dbraw/zinc/31/98/30/386319830.db2.gz FXSIAIGCIUUYCH-UHFFFAOYSA-N 0 1 247.342 2.471 20 0 BEADMN CN(C)[C@@H](CNc1ncccn1)c1ccsc1 ZINC000298304516 386323418 /nfs/dbraw/zinc/32/34/18/386323418.db2.gz MHBLOFOREOQYSI-NSHDSACASA-N 0 1 248.355 2.253 20 0 BEADMN CCCCN(CC)Cc1cc(C)n(C)n1 ZINC000336649931 386263296 /nfs/dbraw/zinc/26/32/96/386263296.db2.gz RXUTVDQKNXPIGV-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN Cc1ccc(CN(C)C(=O)c2cnc(C)[nH]2)s1 ZINC000264733390 386267144 /nfs/dbraw/zinc/26/71/44/386267144.db2.gz FLTMMDSTFRYHQJ-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC000452533392 386269611 /nfs/dbraw/zinc/26/96/11/386269611.db2.gz SOACNZKYUGZOTD-VXGBXAGGSA-N 0 1 249.358 2.203 20 0 BEADMN COCc1cc(CN(C)[C@@H](C)C2CC2)no1 ZINC000297792850 386279551 /nfs/dbraw/zinc/27/95/51/386279551.db2.gz NGDSMONVVZUYLT-VIFPVBQESA-N 0 1 224.304 2.051 20 0 BEADMN CC[C@H](COC)NCc1nccn1CC(C)C ZINC000164849284 386346715 /nfs/dbraw/zinc/34/67/15/386346715.db2.gz YJJPHOPXKLFMDT-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN Cc1ccc(CNCc2cnc(C)nc2)cc1 ZINC000339281423 386349271 /nfs/dbraw/zinc/34/92/71/386349271.db2.gz ITMGAUMMYMWITQ-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1c[nH]nc1CNCc1ccc([C@H](C)O)cc1 ZINC000289783577 386354779 /nfs/dbraw/zinc/35/47/79/386354779.db2.gz HGWHQSAFGNYRBM-NSHDSACASA-N 0 1 245.326 2.061 20 0 BEADMN Cc1cccc(NC(=O)N2CCNC[C@@H]2C)c1C ZINC000335270118 386355975 /nfs/dbraw/zinc/35/59/75/386355975.db2.gz BIZQLWUNHWQWEF-NSHDSACASA-N 0 1 247.342 2.129 20 0 BEADMN CCc1ncc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cn1 ZINC000335272717 386362974 /nfs/dbraw/zinc/36/29/74/386362974.db2.gz PILYAVCLQRPMJR-OLZOCXBDSA-N 0 1 231.343 2.413 20 0 BEADMN COCc1cc(CNC2(C)CCCC2)no1 ZINC000298610863 386363577 /nfs/dbraw/zinc/36/35/77/386363577.db2.gz ZYFVSEOTOLRKSA-UHFFFAOYSA-N 0 1 224.304 2.243 20 0 BEADMN CSCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276683512 386366296 /nfs/dbraw/zinc/36/62/96/386366296.db2.gz IMXCKNGKCJNTFV-UHFFFAOYSA-N 0 1 235.312 2.173 20 0 BEADMN Cc1c[nH]nc1CNCCOc1ccccc1F ZINC000289894454 386367093 /nfs/dbraw/zinc/36/70/93/386367093.db2.gz NANGONAYZQCDMR-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C2(C)CC2)nc1 ZINC000336693739 386369009 /nfs/dbraw/zinc/36/90/09/386369009.db2.gz DNWYYIWIWVVQKV-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CCOC2)c(C)s1 ZINC000336690303 386371824 /nfs/dbraw/zinc/37/18/24/386371824.db2.gz ASUXPPBUMWIPEP-LLVKDONJSA-N 0 1 240.372 2.228 20 0 BEADMN CCN(C)C(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000298712721 386377574 /nfs/dbraw/zinc/37/75/74/386377574.db2.gz ARWBSFNKXDNVSF-CYBMUJFWSA-N 0 1 248.370 2.466 20 0 BEADMN CCC1CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000347391801 386378191 /nfs/dbraw/zinc/37/81/91/386378191.db2.gz KAYSYULHFVVSGL-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3ccncc3)C2)c1 ZINC000289984588 386380648 /nfs/dbraw/zinc/38/06/48/386380648.db2.gz RZSVFDHVIDHALD-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN C[C@@H](O)CCCN1CCn2cccc2[C@@H]1C ZINC000336677982 386331567 /nfs/dbraw/zinc/33/15/67/386331567.db2.gz WNRHHFTZZCPABP-NEPJUHHUSA-N 0 1 222.332 2.026 20 0 BEADMN CCN1CCN(c2nc(C)c(C)s2)[C@H](C)C1 ZINC000343298701 386334600 /nfs/dbraw/zinc/33/46/00/386334600.db2.gz ZTSWJESJVKNPCG-SECBINFHSA-N 0 1 239.388 2.290 20 0 BEADMN Cc1cn[nH]c1CN1CC=C(C(F)(F)F)CC1 ZINC000290460090 386439341 /nfs/dbraw/zinc/43/93/41/386439341.db2.gz PJFVFSLRMNVBBI-UHFFFAOYSA-N 0 1 245.248 2.413 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)C[C@H]2CC)n1 ZINC000336718335 386440430 /nfs/dbraw/zinc/44/04/30/386440430.db2.gz VBUBGOPVBTXFJA-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)C[C@H]2CC)n1 ZINC000336718335 386440437 /nfs/dbraw/zinc/44/04/37/386440437.db2.gz VBUBGOPVBTXFJA-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](C)CCn2cccn2)o1 ZINC000347488269 386441620 /nfs/dbraw/zinc/44/16/20/386441620.db2.gz ICCOUUWOBSNYCU-JQWIXIFHSA-N 0 1 248.330 2.309 20 0 BEADMN C[C@@H](NCc1ccco1)c1cc[nH]c(=O)c1 ZINC000336778041 386448639 /nfs/dbraw/zinc/44/86/39/386448639.db2.gz KGEWHBIEQVKUHA-SECBINFHSA-N 0 1 218.256 2.231 20 0 BEADMN Cc1cnn(CCN(C)Cc2occc2C)c1 ZINC000336718924 386448895 /nfs/dbraw/zinc/44/88/95/386448895.db2.gz RKBRYFDGMCPTDR-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCSC(C)(C)C1 ZINC000290534609 386450037 /nfs/dbraw/zinc/45/00/37/386450037.db2.gz VQNMJJVBTYZVFF-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN CSC[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000336699937 386387752 /nfs/dbraw/zinc/38/77/52/386387752.db2.gz JUQLFDWBDHTQLR-LBPRGKRZSA-N 0 1 239.388 2.056 20 0 BEADMN CC(C)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000347354225 386391798 /nfs/dbraw/zinc/39/17/98/386391798.db2.gz VINPKWDXJZREJY-UHFFFAOYSA-N 0 1 247.386 2.040 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CCC2)c1 ZINC000266065726 386395651 /nfs/dbraw/zinc/39/56/51/386395651.db2.gz BJRPYFJVNXXWCW-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN COC[C@H](NC1CC(OC)C1)c1ccc(C)o1 ZINC000347422965 386397047 /nfs/dbraw/zinc/39/70/47/386397047.db2.gz RXWYMFKIYJSNDD-MCIGGMRASA-N 0 1 239.315 2.043 20 0 BEADMN COCC[C@H](C)[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000347421882 386397954 /nfs/dbraw/zinc/39/79/54/386397954.db2.gz PMBSABDGOVRIKU-NSHDSACASA-N 0 1 247.342 2.386 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1cccs1 ZINC001645308527 1172650931 /nfs/dbraw/zinc/65/09/31/1172650931.db2.gz BDRKYCWXFQWKAQ-PLNGDYQASA-N 0 1 247.323 2.143 20 0 BEADMN Cc1cc(CNCc2cncn2C(C)C)ccn1 ZINC000391109681 386402023 /nfs/dbraw/zinc/40/20/23/386402023.db2.gz BPLDUGUDSMGNFY-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1ccnn1CC ZINC000290551601 386451502 /nfs/dbraw/zinc/45/15/02/386451502.db2.gz RVHDQDMBVHPYLJ-NSHDSACASA-N 0 1 241.404 2.476 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)NCc2cocn2)n[nH]1 ZINC000277114191 386408896 /nfs/dbraw/zinc/40/88/96/386408896.db2.gz XZUAFLLMEKOWJE-DTWKUNHWSA-N 0 1 249.318 2.157 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000299159814 386422539 /nfs/dbraw/zinc/42/25/39/386422539.db2.gz QMQSYUKYRFVOKE-RKDXNWHRSA-N 0 1 235.331 2.063 20 0 BEADMN CC(C)CCNC(=O)Cc1[nH]nc2ccccc21 ZINC000299186656 386425456 /nfs/dbraw/zinc/42/54/56/386425456.db2.gz ASFGPRZSOHJBIB-UHFFFAOYSA-N 0 1 245.326 2.268 20 0 BEADMN CN(CC1CCC1)C(=O)[C@@](C)(N)c1ccccc1 ZINC000061480549 386468268 /nfs/dbraw/zinc/46/82/68/386468268.db2.gz OWUNIDHULQMCTP-HNNXBMFYSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@@H](C(=O)N(C)c1ccccc1)N1C[C@@H](C)[C@H]1C ZINC000339572637 386470858 /nfs/dbraw/zinc/47/08/58/386470858.db2.gz BBXCQCBMFBRBCX-UPJWGTAASA-N 0 1 246.354 2.378 20 0 BEADMN CC(C)(C)C(=O)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000266845630 386473339 /nfs/dbraw/zinc/47/33/39/386473339.db2.gz OALFOMMISNBRLC-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2cncnc2OC)C1 ZINC000648041923 386476589 /nfs/dbraw/zinc/47/65/89/386476589.db2.gz IFWWLRSPMJYRTM-NWDGAFQWSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H](C)[C@@H]2C)cn1 ZINC000339564143 386477586 /nfs/dbraw/zinc/47/75/86/386477586.db2.gz QZXGYVYOJIUQPN-MIMYLULJSA-N 0 1 205.305 2.186 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1C[C@H](C)[C@H]1C ZINC000339562723 386478275 /nfs/dbraw/zinc/47/82/75/386478275.db2.gz ILJVINGUNICQJT-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN Cn1cc(CN[C@@H]2CCC[C@H]2F)c(C(F)F)n1 ZINC000339581803 386485421 /nfs/dbraw/zinc/48/54/21/386485421.db2.gz CDCAWIUYHBPXAF-RKDXNWHRSA-N 0 1 247.264 2.338 20 0 BEADMN Cc1nc(CNCCc2nccs2)cs1 ZINC000060229956 386486819 /nfs/dbraw/zinc/48/68/19/386486819.db2.gz PGIRYJXYBYNZGX-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Oc1cccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000335433932 386491695 /nfs/dbraw/zinc/49/16/95/386491695.db2.gz LQNKCVIXKNXEJN-AWEZNQCLSA-N 0 1 247.338 2.272 20 0 BEADMN CN(Cc1cocn1)C1Cc2ccccc2C1 ZINC000278142572 386495017 /nfs/dbraw/zinc/49/50/17/386495017.db2.gz NHJXVXPJTZMIAJ-UHFFFAOYSA-N 0 1 228.295 2.274 20 0 BEADMN CC(C)(C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000331367060 386495355 /nfs/dbraw/zinc/49/53/55/386495355.db2.gz DMWKBEXRIKSCPA-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN CC[N@@H+](CCO)[C@H](C)c1ccccc1F ZINC000267149293 386501973 /nfs/dbraw/zinc/50/19/73/386501973.db2.gz LVIPGFJYMKNYGO-SNVBAGLBSA-N 0 1 211.280 2.201 20 0 BEADMN Cc1cnn(CCN(C)[C@H](C)c2cccnc2)c1 ZINC000336790963 386502502 /nfs/dbraw/zinc/50/25/02/386502502.db2.gz YVBJLOQICBSSCU-CYBMUJFWSA-N 0 1 244.342 2.280 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000335443298 386504425 /nfs/dbraw/zinc/50/44/25/386504425.db2.gz NDEXVQFESADMFH-BXKDBHETSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1ccnc(CN(C)[C@H](C)C(C)C)n1 ZINC000339658516 386508200 /nfs/dbraw/zinc/50/82/00/386508200.db2.gz MXAGRJNELDJELB-LLVKDONJSA-N 0 1 207.321 2.261 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccs2)C[C@H]1C(=O)[O-] ZINC000335444749 386508780 /nfs/dbraw/zinc/50/87/80/386508780.db2.gz URCHOPBOJPEEQF-GXSJLCMTSA-N 0 1 239.340 2.291 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339670767 386513365 /nfs/dbraw/zinc/51/33/65/386513365.db2.gz CRMBZSRWKRNVFF-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN CC(C)C1(CNc2ncnc3[nH]cnc32)CC1 ZINC000227823829 386517968 /nfs/dbraw/zinc/51/79/68/386517968.db2.gz NAYNBPBJBAPPSU-UHFFFAOYSA-N 0 1 231.303 2.201 20 0 BEADMN CCCN(C)[C@@H](c1nccn1C)C1CC1 ZINC000637892329 386519831 /nfs/dbraw/zinc/51/98/31/386519831.db2.gz POHKGIGEKDYFFV-LLVKDONJSA-N 0 1 207.321 2.213 20 0 BEADMN c1cnc(CN2CC[C@@H](CC3CC3)C2)nc1 ZINC000339680574 386520620 /nfs/dbraw/zinc/52/06/20/386520620.db2.gz QKBIQABUGFMPGB-LBPRGKRZSA-N 0 1 217.316 2.099 20 0 BEADMN Cn1ccc(CN2CCOC[C@@H]2C2CCC2)c1 ZINC000335450408 386521846 /nfs/dbraw/zinc/52/18/46/386521846.db2.gz XCVVDFUFOCPRDW-CQSZACIVSA-N 0 1 234.343 2.026 20 0 BEADMN CN(C)CC(=O)NCc1ccc2sccc2c1 ZINC000291225075 386526627 /nfs/dbraw/zinc/52/66/27/386526627.db2.gz NEYQLKTYQZCWBE-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C(C)C)nc1 ZINC000340662841 386526589 /nfs/dbraw/zinc/52/65/89/386526589.db2.gz WQUSJNCBCKOLND-NSHDSACASA-N 0 1 207.321 2.261 20 0 BEADMN CN(CCCCCO)Cc1cccnc1Cl ZINC000227052898 386453656 /nfs/dbraw/zinc/45/36/56/386453656.db2.gz SRUVEWAUAFJIDI-UHFFFAOYSA-N 0 1 242.750 2.329 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C(C)C)nc1 ZINC000340662840 386527941 /nfs/dbraw/zinc/52/79/41/386527941.db2.gz WQUSJNCBCKOLND-LLVKDONJSA-N 0 1 207.321 2.261 20 0 BEADMN CC[C@H]1CN(CC[C@@H](O)c2ccccc2)CCO1 ZINC000227062291 386453944 /nfs/dbraw/zinc/45/39/44/386453944.db2.gz VGFBYERMJGGSQX-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)NCc1ncccc1Br ZINC000231758489 386527996 /nfs/dbraw/zinc/52/79/96/386527996.db2.gz BPOPQBGMMZRJFL-UHFFFAOYSA-N 0 1 229.121 2.342 20 0 BEADMN c1cncc(CN(CC2=CCCOC2)C2CC2)c1 ZINC000290590980 386455381 /nfs/dbraw/zinc/45/53/81/386455381.db2.gz VGUHTGFLSGAABW-UHFFFAOYSA-N 0 1 244.338 2.393 20 0 BEADMN CCCN(Cc1cc(C)nn1C)C1CC1 ZINC000417709443 386582655 /nfs/dbraw/zinc/58/26/55/386582655.db2.gz OZSCCEPSXIMYBT-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1cnc(CN2CC[C@@H](c3cccnc3)C2)o1 ZINC000335417324 386584475 /nfs/dbraw/zinc/58/44/75/386584475.db2.gz OQZDGFKGFSINEM-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CN(Cc1ncccn1)C1(C)CCCC1 ZINC000335418729 386587894 /nfs/dbraw/zinc/58/78/94/386587894.db2.gz NNSJSNMIPZFQNS-UHFFFAOYSA-N 0 1 205.305 2.241 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414459687 386588582 /nfs/dbraw/zinc/58/85/82/386588582.db2.gz IQLLHMDNRPJSEK-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cc(C2CC2)ccn1 ZINC000291850306 386591698 /nfs/dbraw/zinc/59/16/98/386591698.db2.gz DNIVMBKOLJCFES-UHFFFAOYSA-N 0 1 247.342 2.238 20 0 BEADMN CCN(C)C(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000267351557 386532673 /nfs/dbraw/zinc/53/26/73/386532673.db2.gz NQLLFSNKUWETJT-IUODEOHRSA-N 0 1 246.354 2.158 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)C[C@@H]2C)cn1 ZINC000414451705 386535123 /nfs/dbraw/zinc/53/51/23/386535123.db2.gz ODKCLKMDJVVTLW-AAEUAGOBSA-N 0 1 249.358 2.038 20 0 BEADMN Cc1cnc([C@@H](C)NCC2(O)CCC2)s1 ZINC000336755358 386537371 /nfs/dbraw/zinc/53/73/71/386537371.db2.gz IUBIALOLOLFLTN-SECBINFHSA-N 0 1 226.345 2.017 20 0 BEADMN CCCCN(C)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228074359 386538888 /nfs/dbraw/zinc/53/88/88/386538888.db2.gz ONWOQCODMNZNFZ-CYBMUJFWSA-N 0 1 234.343 2.253 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228082192 386539072 /nfs/dbraw/zinc/53/90/72/386539072.db2.gz WHCNBVBQQPBNQT-CQSZACIVSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC(C)(C)C2)cc1 ZINC000228086199 386540929 /nfs/dbraw/zinc/54/09/29/386540929.db2.gz AGOPLUFGRFEXFP-CYBMUJFWSA-N 0 1 246.354 2.253 20 0 BEADMN Clc1cnccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000267427904 386541577 /nfs/dbraw/zinc/54/15/77/386541577.db2.gz VYZBDASDVXLNEB-LLVKDONJSA-N 0 1 249.745 2.186 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000228085484 386541982 /nfs/dbraw/zinc/54/19/82/386541982.db2.gz NQAUURNTFAWSLP-YUTCNCBUSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@@H](NCCF)c1ccc(C(=O)OC)cc1 ZINC000340379648 386545259 /nfs/dbraw/zinc/54/52/59/386545259.db2.gz PKDWUKDTMXIKEB-GFCCVEGCSA-N 0 1 239.290 2.483 20 0 BEADMN CC[C@H](CSC)N(C)Cc1n[nH]cc1C ZINC000291480109 386551800 /nfs/dbraw/zinc/55/18/00/386551800.db2.gz FRNLPINSDXZBHW-SNVBAGLBSA-N 0 1 227.377 2.292 20 0 BEADMN CCC[C@H]1C[N@@H+](CCCCCC(=O)[O-])CCO1 ZINC000519766496 386552237 /nfs/dbraw/zinc/55/22/37/386552237.db2.gz ZHAHVGXIKLIDML-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN Cn1cccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000291566683 386557436 /nfs/dbraw/zinc/55/74/36/386557436.db2.gz NMLBPAAGGXTYNO-UONOGXRCSA-N 0 1 248.370 2.415 20 0 BEADMN CC(C)[C@H]1CC[N@H+]1Cc1cncc(F)c1 ZINC000335403549 386559127 /nfs/dbraw/zinc/55/91/27/386559127.db2.gz PTDZTBHZHGHHAL-GFCCVEGCSA-N 0 1 208.280 2.451 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cncc(F)c1 ZINC000335403549 386559134 /nfs/dbraw/zinc/55/91/34/386559134.db2.gz PTDZTBHZHGHHAL-GFCCVEGCSA-N 0 1 208.280 2.451 20 0 BEADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1cnn(C)c1 ZINC000163918392 386561124 /nfs/dbraw/zinc/56/11/24/386561124.db2.gz WQKXNSCHATZFFV-NXEZZACHSA-N 0 1 248.305 2.366 20 0 BEADMN C1CCC([N@H+]2CCO[C@]3(CCSC3)C2)C1 ZINC000335407914 386568190 /nfs/dbraw/zinc/56/81/90/386568190.db2.gz JWQPYEYDXXQQNM-GFCCVEGCSA-N 0 1 227.373 2.137 20 0 BEADMN Cc1nc(CSCc2ccco2)n[nH]1 ZINC000291684002 386568373 /nfs/dbraw/zinc/56/83/73/386568373.db2.gz NLHXMIBXTDAHFE-UHFFFAOYSA-N 0 1 209.274 2.140 20 0 BEADMN CCC[C@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335409838 386570377 /nfs/dbraw/zinc/57/03/77/386570377.db2.gz XCXGBYYAUJFIIV-RYUDHWBXSA-N 0 1 229.389 2.383 20 0 BEADMN CCC1(CC)CCN(C(=O)c2ccn[nH]2)C1 ZINC000268092127 386619758 /nfs/dbraw/zinc/61/97/58/386619758.db2.gz UJSNWVJHYIWIRM-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CCC[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000268119564 386623815 /nfs/dbraw/zinc/62/38/15/386623815.db2.gz AIQVQGYGJGGHFO-JTQLQIEISA-N 0 1 221.304 2.062 20 0 BEADMN CN(Cc1ccnc(Br)c1)C1CC1 ZINC000293323452 386655682 /nfs/dbraw/zinc/65/56/82/386655682.db2.gz CLEOOTXUZQESLQ-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H]2C(C)C)n1 ZINC000268178915 386629534 /nfs/dbraw/zinc/62/95/34/386629534.db2.gz CESMASDAAVLNLZ-GFCCVEGCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H]2C(C)C)n1 ZINC000268178915 386629538 /nfs/dbraw/zinc/62/95/38/386629538.db2.gz CESMASDAAVLNLZ-GFCCVEGCSA-N 0 1 249.358 2.365 20 0 BEADMN CCN1CCN(CCC2CCCC2)[C@@H](C)C1=O ZINC000425923139 386630193 /nfs/dbraw/zinc/63/01/93/386630193.db2.gz SKGPWRJAYXTXDD-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC(C)(C)NC(=O)c1[nH]nc2c1CCC2 ZINC000124456827 386632032 /nfs/dbraw/zinc/63/20/32/386632032.db2.gz RHDGVZGXFXTTEU-UHFFFAOYSA-N 0 1 235.331 2.207 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000335504325 386635059 /nfs/dbraw/zinc/63/50/59/386635059.db2.gz VCMOVBAYMVXRSD-GFCCVEGCSA-N 0 1 247.342 2.471 20 0 BEADMN CCCn1c(C)nnc1CN1CCCC1(C)C ZINC000179298274 386635163 /nfs/dbraw/zinc/63/51/63/386635163.db2.gz UVJSRGYWTRFODP-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN Cc1cnc(CNC[C@@]2(C)CCCC[C@H]2O)o1 ZINC000638724819 386635416 /nfs/dbraw/zinc/63/54/16/386635416.db2.gz BWDSRKNYYRXZIE-DGCLKSJQSA-N 0 1 238.331 2.014 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000268323291 386642618 /nfs/dbraw/zinc/64/26/18/386642618.db2.gz LMLJPMFSYHFZDJ-QWRGUYRKSA-N 0 1 249.310 2.298 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)c2cccs2)n[nH]1 ZINC000292280925 386644743 /nfs/dbraw/zinc/64/47/43/386644743.db2.gz XVJRFOIZFNMOLR-QMMMGPOBSA-N 0 1 236.344 2.368 20 0 BEADMN C[C@H](CS(C)(=O)=O)N(C)CCCC(C)(C)C ZINC000337184687 386654535 /nfs/dbraw/zinc/65/45/35/386654535.db2.gz NZEUBCBFELSITK-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN CC1(C(N)=O)CN(Cc2ccsc2)C1 ZINC000335424899 386600476 /nfs/dbraw/zinc/60/04/76/386600476.db2.gz RSSCXKOVTMTTLT-UHFFFAOYSA-N 0 1 210.302 2.105 20 0 BEADMN Cc1csc(CN2CCCC[C@H]2[C@H](C)O)n1 ZINC000268024765 386610607 /nfs/dbraw/zinc/61/06/07/386610607.db2.gz KFVNXMROBQGJLW-QWRGUYRKSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000268014652 386611235 /nfs/dbraw/zinc/61/12/35/386611235.db2.gz RHNRDWCRLGPOHC-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN CCC1(CC)CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000268055885 386612706 /nfs/dbraw/zinc/61/27/06/386612706.db2.gz BYBXHKUFFTYZAQ-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN COC(CNC(C)(C)c1ccccc1F)OC ZINC000292067598 386617459 /nfs/dbraw/zinc/61/74/59/386617459.db2.gz DDQZBSGOXVUHDA-UHFFFAOYSA-N 0 1 241.306 2.269 20 0 BEADMN C[C@H](O)CC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000335520945 386660032 /nfs/dbraw/zinc/66/00/32/386660032.db2.gz LKNKHRVEOCWVLW-QWRGUYRKSA-N 0 1 205.301 2.334 20 0 BEADMN CCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000279301168 386662387 /nfs/dbraw/zinc/66/23/87/386662387.db2.gz ZJLDOGKIFKKDRG-UHFFFAOYSA-N 0 1 248.261 2.349 20 0 BEADMN Cc1nccc(NCCC2CC(O)C2)c1Cl ZINC000336738994 386667475 /nfs/dbraw/zinc/66/74/75/386667475.db2.gz OQVHUTKRAXUJBN-UHFFFAOYSA-N 0 1 240.734 2.038 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000097850421 386669589 /nfs/dbraw/zinc/66/95/89/386669589.db2.gz YQKPWORVHZBTNH-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN O=C([O-])C[N@@H+](CCC1CC1)Cc1ccccc1 ZINC000520416908 386669805 /nfs/dbraw/zinc/66/98/05/386669805.db2.gz XXKGXJOGUARGNO-UHFFFAOYSA-N 0 1 233.311 2.373 20 0 BEADMN Cc1cc(CN(C)CCCOC(C)C)ncn1 ZINC000292433349 386671757 /nfs/dbraw/zinc/67/17/57/386671757.db2.gz MIHBUZAJPZCDRY-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN Cc1nccnc1[C@H](C)NCCOC1CCCC1 ZINC000187884195 386674733 /nfs/dbraw/zinc/67/47/33/386674733.db2.gz NBWVVPFCFMEVLT-LBPRGKRZSA-N 0 1 249.358 2.395 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000335528464 386675356 /nfs/dbraw/zinc/67/53/56/386675356.db2.gz GKESNPDOTMHTMD-KGLIPLIRSA-N 0 1 244.338 2.220 20 0 BEADMN CO[C@@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000279407485 386677644 /nfs/dbraw/zinc/67/76/44/386677644.db2.gz VOVPIIFAFINNFX-AAEUAGOBSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H]1CCN1Cc1ccc(OC)cn1 ZINC000292359867 386656723 /nfs/dbraw/zinc/65/67/23/386656723.db2.gz IBEZINAGSZHJRN-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN C[C@H]1CCCCN1c1nc(N)nc2c1CCCC2 ZINC000645095924 386710985 /nfs/dbraw/zinc/71/09/85/386710985.db2.gz RZQRIDZPCKLCMS-JTQLQIEISA-N 0 1 246.358 2.147 20 0 BEADMN Cc1cnc([C@H](C)N(C)CC2CCOCC2)o1 ZINC000357005234 386685536 /nfs/dbraw/zinc/68/55/36/386685536.db2.gz LPQGCVVZGDCYPP-NSHDSACASA-N 0 1 238.331 2.402 20 0 BEADMN Cc1ccc(C)c(COCCc2c[nH]nn2)c1 ZINC000357015682 386687252 /nfs/dbraw/zinc/68/72/52/386687252.db2.gz DIUASBZDHYTRSS-UHFFFAOYSA-N 0 1 231.299 2.181 20 0 BEADMN CCOC[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009760 386689473 /nfs/dbraw/zinc/68/94/73/386689473.db2.gz RJFDWAHZSFRKHO-VXGBXAGGSA-N 0 1 238.331 2.402 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357021464 386690989 /nfs/dbraw/zinc/69/09/89/386690989.db2.gz IBLDBOKTZFRZBX-GHMZBOCLSA-N 0 1 225.332 2.060 20 0 BEADMN CCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268749387 386691180 /nfs/dbraw/zinc/69/11/80/386691180.db2.gz TYTQMQFFRQHWRP-UHFFFAOYSA-N 0 1 221.182 2.167 20 0 BEADMN Cc1cc(C)cc(COCCc2c[nH]nn2)c1 ZINC000357025837 386693319 /nfs/dbraw/zinc/69/33/19/386693319.db2.gz JHYNWCCBSDTADQ-UHFFFAOYSA-N 0 1 231.299 2.181 20 0 BEADMN COCc1cccc(NCc2[nH]ncc2C)c1 ZINC000352840850 386694068 /nfs/dbraw/zinc/69/40/68/386694068.db2.gz PAPLBYZMMHUCHP-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN C[C@H](C1CCC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000357032532 386695705 /nfs/dbraw/zinc/69/57/05/386695705.db2.gz GSDWMKDGKSGIPA-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000337262621 386695854 /nfs/dbraw/zinc/69/58/54/386695854.db2.gz YZWRAUCRWGOHRF-LLVKDONJSA-N 0 1 226.364 2.116 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)NCCN1CCC1 ZINC000337276551 386697418 /nfs/dbraw/zinc/69/74/18/386697418.db2.gz FJVASIHXGGYNDQ-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000520594212 386697529 /nfs/dbraw/zinc/69/75/29/386697529.db2.gz GYPZVCKNHDLHLZ-LBPRGKRZSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)NCCN1CCC1 ZINC000337276552 386699477 /nfs/dbraw/zinc/69/94/77/386699477.db2.gz FJVASIHXGGYNDQ-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN c1[nH]nnc1CCOCC1CCCCCC1 ZINC000329548288 386702645 /nfs/dbraw/zinc/70/26/45/386702645.db2.gz BEFLSTYDDZLCPA-UHFFFAOYSA-N 0 1 223.320 2.334 20 0 BEADMN CO[C@H](C)c1noc(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000330400436 386705081 /nfs/dbraw/zinc/70/50/81/386705081.db2.gz JRHKISJICHDPPJ-IVZWLZJFSA-N 0 1 239.319 2.055 20 0 BEADMN CC[C@@H](F)CN[C@H](C)c1cnn(C)c1C ZINC000336760234 386706944 /nfs/dbraw/zinc/70/69/44/386706944.db2.gz LPTZDTSYGGJALI-PSASIEDQSA-N 0 1 213.300 2.127 20 0 BEADMN CC[C@H]1CCN1Cc1ccc(COC)o1 ZINC000292824755 386732284 /nfs/dbraw/zinc/73/22/84/386732284.db2.gz QKWLQQRNCPORIB-JTQLQIEISA-N 0 1 209.289 2.410 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)[nH]1 ZINC000335533665 386734987 /nfs/dbraw/zinc/73/49/87/386734987.db2.gz GAHZUVIKEFZIEP-GHMZBOCLSA-N 0 1 248.330 2.268 20 0 BEADMN C=Cc1ccc(C(=O)Nc2n[nH]c(CC)n2)cc1 ZINC000192172440 386738156 /nfs/dbraw/zinc/73/81/56/386738156.db2.gz ONYJYEYDZNHSIW-UHFFFAOYSA-N 0 1 242.282 2.262 20 0 BEADMN C=Cc1ccc(C(=O)Nc2nc(CC)n[nH]2)cc1 ZINC000192172440 386738163 /nfs/dbraw/zinc/73/81/63/386738163.db2.gz ONYJYEYDZNHSIW-UHFFFAOYSA-N 0 1 242.282 2.262 20 0 BEADMN CC[C@@H]1CCC[C@@H](NCC(F)(F)CN)C1 ZINC000414928123 386718299 /nfs/dbraw/zinc/71/82/99/386718299.db2.gz LWNJRKUAFQMRIK-NXEZZACHSA-N 0 1 220.307 2.139 20 0 BEADMN O=C(C=C1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268920185 386721308 /nfs/dbraw/zinc/72/13/08/386721308.db2.gz COUHACDZUKXYQD-LLVKDONJSA-N 0 1 231.299 2.014 20 0 BEADMN CC(C)(C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268924395 386721838 /nfs/dbraw/zinc/72/18/38/386721838.db2.gz DJQFXKSEYFTNNK-SNVBAGLBSA-N 0 1 235.331 2.340 20 0 BEADMN c1snnc1CNC[C@@H]1CCC[C@H]1C1CC1 ZINC000414489505 386724041 /nfs/dbraw/zinc/72/40/41/386724041.db2.gz WHFSAZBAZXZNFR-JQWIXIFHSA-N 0 1 237.372 2.454 20 0 BEADMN c1nc(CN2CCC[C@H]3CCC[C@@H]32)co1 ZINC000191936932 386725363 /nfs/dbraw/zinc/72/53/63/386725363.db2.gz DMZIODLPKAKANM-PWSUYJOCSA-N 0 1 206.289 2.439 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cccc2c1OCCO2 ZINC000526989498 386727580 /nfs/dbraw/zinc/72/75/80/386727580.db2.gz LYAQUYBOJSWNKD-QWRGUYRKSA-N 0 1 233.311 2.441 20 0 BEADMN O=C1CCCN1CCCN1Cc2ccccc2C1 ZINC000520695985 386747066 /nfs/dbraw/zinc/74/70/66/386747066.db2.gz PBZLYHXVBDYYHO-UHFFFAOYSA-N 0 1 244.338 2.015 20 0 BEADMN Cc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)on1 ZINC000348523419 386748275 /nfs/dbraw/zinc/74/82/75/386748275.db2.gz DRGXGKTYUDCAPE-NXEZZACHSA-N 0 1 246.257 2.233 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccn(C(F)F)n2)CS1 ZINC000414498643 386748888 /nfs/dbraw/zinc/74/88/88/386748888.db2.gz NKQFUGVORLQJBS-APPZFPTMSA-N 0 1 247.314 2.262 20 0 BEADMN CC1(C(=O)CSc2nc(C3CC3)n[nH]2)CC1 ZINC000279879843 386749840 /nfs/dbraw/zinc/74/98/40/386749840.db2.gz HGPFKKDESFNUCO-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN CC1(C(=O)CSc2n[nH]c(C3CC3)n2)CC1 ZINC000279879843 386749850 /nfs/dbraw/zinc/74/98/50/386749850.db2.gz HGPFKKDESFNUCO-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN c1nc(CNCC2(c3ccccc3)CC2)co1 ZINC000192283596 386751773 /nfs/dbraw/zinc/75/17/73/386751773.db2.gz QVVZULICYOLJPL-UHFFFAOYSA-N 0 1 228.295 2.496 20 0 BEADMN Cc1nc(C)c(CCNCc2cocn2)s1 ZINC000192310409 386760370 /nfs/dbraw/zinc/76/03/70/386760370.db2.gz LELIMDAOFNMSBR-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN O=C(Nc1nccs1)c1ccc2cncn2c1 ZINC000339888512 386760565 /nfs/dbraw/zinc/76/05/65/386760565.db2.gz GTEGOGSFGYJKMH-UHFFFAOYSA-N 0 1 244.279 2.043 20 0 BEADMN COc1cc(C)nc(CN2C[C@H](C)[C@H]2C)c1 ZINC000292996825 386761920 /nfs/dbraw/zinc/76/19/20/386761920.db2.gz MTKIGZPCPIVRKJ-GXSJLCMTSA-N 0 1 220.316 2.239 20 0 BEADMN Cc1cc(CN2CCCO[C@H](C(C)C)C2)ncn1 ZINC000293008254 386763421 /nfs/dbraw/zinc/76/34/21/386763421.db2.gz DINCFMPLFIPOAA-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)cs2)[C@@H](C)C1 ZINC000334144528 386743083 /nfs/dbraw/zinc/74/30/83/386743083.db2.gz HOIYHSLPHLHELK-QWRGUYRKSA-N 0 1 240.372 2.451 20 0 BEADMN CO[C@@H](C)CN1CCc2c(F)cccc2C1 ZINC000334143579 386743179 /nfs/dbraw/zinc/74/31/79/386743179.db2.gz SZIKIKXVKJEMDM-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN Cc1nnc(CN2CC[C@H](C(C)C)C2)n1C1CC1 ZINC000340876931 386796671 /nfs/dbraw/zinc/79/66/71/386796671.db2.gz BUBUYVLCTFVYSE-LBPRGKRZSA-N 0 1 248.374 2.399 20 0 BEADMN Cc1cc(CN2CCCC3(CC3)C2)ncn1 ZINC000293213219 386789751 /nfs/dbraw/zinc/78/97/51/386789751.db2.gz PONWJYXBLPZGSF-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN Cc1cc(C(=O)N(CC2CC2)CC2CCC2)n[nH]1 ZINC000280211536 386791726 /nfs/dbraw/zinc/79/17/26/386791726.db2.gz XRSRQDOTZZLRBB-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN C[C@H](C(=O)NCc1ccccc1)N1C[C@@H](C)[C@@H]1C ZINC000293245018 386794416 /nfs/dbraw/zinc/79/44/16/386794416.db2.gz BFLUZKWDVQOPAO-FRRDWIJNSA-N 0 1 246.354 2.032 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C(C)C)C2)n1C1CC1 ZINC000340876929 386794765 /nfs/dbraw/zinc/79/47/65/386794765.db2.gz BUBUYVLCTFVYSE-GFCCVEGCSA-N 0 1 248.374 2.399 20 0 BEADMN O=C(NCC1=CCCCC1)[C@H]1CCCN1C1CC1 ZINC000452290598 386796362 /nfs/dbraw/zinc/79/63/62/386796362.db2.gz IRCBTTHLOBMHSM-CQSZACIVSA-N 0 1 248.370 2.230 20 0 BEADMN CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](C)O ZINC000248640991 386783036 /nfs/dbraw/zinc/78/30/36/386783036.db2.gz CDIVYZBGIRUMGL-ONGXEEELSA-N 0 1 225.357 2.438 20 0 BEADMN COCc1noc([C@H](C)N2CC[C@@H](C)[C@@H]2C)n1 ZINC000248467458 386783284 /nfs/dbraw/zinc/78/32/84/386783284.db2.gz STTJLLHTTZZMJS-UTLUCORTSA-N 0 1 239.319 2.007 20 0 BEADMN CO[C@H](C)CNCc1ncc(CSC)s1 ZINC000293260602 386789354 /nfs/dbraw/zinc/78/93/54/386789354.db2.gz MSKHUGKXNGALMM-MRVPVSSYSA-N 0 1 246.401 2.131 20 0 BEADMN CCCc1csc(CNC[C@H](O)C(C)C)n1 ZINC000336672177 386822992 /nfs/dbraw/zinc/82/29/92/386822992.db2.gz ADDPRECMRZQARL-NSHDSACASA-N 0 1 242.388 2.202 20 0 BEADMN COC(C)(C)CCN[C@H](C)c1csnn1 ZINC000398430942 386823367 /nfs/dbraw/zinc/82/33/67/386823367.db2.gz UXPGMGXKSZBWOR-MRVPVSSYSA-N 0 1 229.349 2.004 20 0 BEADMN CC(C)c1nc(CN[C@@H](C)c2ccccn2)n[nH]1 ZINC000293283565 386797143 /nfs/dbraw/zinc/79/71/43/386797143.db2.gz UACJQWBVAAYPJR-JTQLQIEISA-N 0 1 245.330 2.174 20 0 BEADMN C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)[C@H]1C ZINC000293292133 386797636 /nfs/dbraw/zinc/79/76/36/386797636.db2.gz DGKXTAQZLOLLRB-DYEKYZERSA-N 0 1 244.338 2.132 20 0 BEADMN Cc1ccoc1CNCCOC(F)(F)F ZINC000336669339 386799435 /nfs/dbraw/zinc/79/94/35/386799435.db2.gz FMYKVOOCUQNNPU-UHFFFAOYSA-N 0 1 223.194 2.214 20 0 BEADMN CCc1ccc(CN2C[C@H](F)C[C@H]2CO)cc1 ZINC000344860757 386804016 /nfs/dbraw/zinc/80/40/16/386804016.db2.gz DNBVNWZCWBGHLR-KGLIPLIRSA-N 0 1 237.318 2.154 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2C[C@H](C)[C@H]2C)o1 ZINC000293344254 386806356 /nfs/dbraw/zinc/80/63/56/386806356.db2.gz HILWJMXIEQPAHZ-AEJSXWLSSA-N 0 1 237.299 2.467 20 0 BEADMN CC(C)n1nccc1CN1CCCSCC1 ZINC000280419270 386810174 /nfs/dbraw/zinc/81/01/74/386810174.db2.gz WTXQLILWXMWWGO-UHFFFAOYSA-N 0 1 239.388 2.403 20 0 BEADMN Cc1nc(CN[C@H](C)c2ccc(F)c(C)c2)n[nH]1 ZINC000293383933 386810710 /nfs/dbraw/zinc/81/07/10/386810710.db2.gz ZYNBZQVPWWXBDE-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN COc1ncncc1CN1CCC[C@H]2CCC[C@H]21 ZINC000648003995 386814203 /nfs/dbraw/zinc/81/42/03/386814203.db2.gz KYIAXDSTQZSKKQ-DGCLKSJQSA-N 0 1 247.342 2.250 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn[n-]1 ZINC000398367672 386815475 /nfs/dbraw/zinc/81/54/75/386815475.db2.gz BVBKXFBKLQYUPJ-NWDGAFQWSA-N 0 1 222.336 2.109 20 0 BEADMN CC[C@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314704701 386825588 /nfs/dbraw/zinc/82/55/88/386825588.db2.gz SEYQUTPQZNUEHR-JGVFFNPUSA-N 0 1 242.344 2.379 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)C1CCC1 ZINC000398438676 386826424 /nfs/dbraw/zinc/82/64/24/386826424.db2.gz WXALURQHZUVXIT-SFYZADRCSA-N 0 1 211.334 2.377 20 0 BEADMN COC(=O)c1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000293488486 386826567 /nfs/dbraw/zinc/82/65/67/386826567.db2.gz SOPZVDAXMRXTKW-GHMZBOCLSA-N 0 1 233.311 2.313 20 0 BEADMN C[C@@H](N[C@H](C)C1CCC1)c1csnn1 ZINC000398438666 386826617 /nfs/dbraw/zinc/82/66/17/386826617.db2.gz WXALURQHZUVXIT-HTQZYQBOSA-N 0 1 211.334 2.377 20 0 BEADMN COc1cc(CNCCF)ccc1OC(F)F ZINC000280624727 386830046 /nfs/dbraw/zinc/83/00/46/386830046.db2.gz GHICYNOLQYOYST-UHFFFAOYSA-N 0 1 249.232 2.356 20 0 BEADMN C[C@@H](CO)CNc1ccnc2cc(F)ccc21 ZINC000301286545 386830282 /nfs/dbraw/zinc/83/02/82/386830282.db2.gz RRDGOWZLKXWODH-SECBINFHSA-N 0 1 234.274 2.414 20 0 BEADMN COc1ncncc1CN1CCC(C)(C)CC1 ZINC000648006283 386830848 /nfs/dbraw/zinc/83/08/48/386830848.db2.gz VBAGUDRRWAWBJO-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CN(CCC(C)(C)C)c1ccncc1C(N)=O ZINC000645341870 386831405 /nfs/dbraw/zinc/83/14/05/386831405.db2.gz FPXFAXQCBKDQDM-UHFFFAOYSA-N 0 1 235.331 2.053 20 0 BEADMN Cc1nnc(CN2CCCCC[C@@H]2C)o1 ZINC000334783167 386840870 /nfs/dbraw/zinc/84/08/70/386840870.db2.gz YMOBXGRMELBWEX-VIFPVBQESA-N 0 1 209.293 2.143 20 0 BEADMN COC[C@H](N[C@H]1CC[C@@H]1SC)c1ccco1 ZINC000425340821 386842698 /nfs/dbraw/zinc/84/26/98/386842698.db2.gz FKNCSBQHLFCBAC-NHCYSSNCSA-N 0 1 241.356 2.451 20 0 BEADMN CCN(C)CC[NH2+]Cc1sccc1Cl ZINC000193055912 386843030 /nfs/dbraw/zinc/84/30/30/386843030.db2.gz SLGQVSCWFIRPKB-UHFFFAOYSA-N 0 1 232.780 2.443 20 0 BEADMN Cc1ncc(C(=O)N2CCCCC(C)(C)C2)[nH]1 ZINC000334785676 386844291 /nfs/dbraw/zinc/84/42/91/386844291.db2.gz HYXRPNKOANZTPF-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1occc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000334785772 386845224 /nfs/dbraw/zinc/84/52/24/386845224.db2.gz PPTYOYPIVBMTBJ-LLVKDONJSA-N 0 1 245.282 2.119 20 0 BEADMN CCc1nnc(CN[C@H]2CCCC2(C)C)o1 ZINC000191303352 386846959 /nfs/dbraw/zinc/84/69/59/386846959.db2.gz BXZAFSLTBKYRFP-VIFPVBQESA-N 0 1 223.320 2.300 20 0 BEADMN C[C@H]1CCN(c2nc(N)nc3c2CCCC3)[C@H]1C ZINC000645186207 386851034 /nfs/dbraw/zinc/85/10/34/386851034.db2.gz PLDCTELYKAEBDP-UWVGGRQHSA-N 0 1 246.358 2.003 20 0 BEADMN C[C@H]1CN(CC23CCC(CC2)C3)CC[S@@]1=O ZINC000334790160 386852894 /nfs/dbraw/zinc/85/28/94/386852894.db2.gz LOOBZACNALJFIJ-ITDKRANNSA-N 0 1 241.400 2.020 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)n[nH]1 ZINC000293864472 386891791 /nfs/dbraw/zinc/89/17/91/386891791.db2.gz JTDYIHZOZZCGGF-LLVKDONJSA-N 0 1 235.331 2.225 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCC1CCCC1 ZINC000357858285 386856162 /nfs/dbraw/zinc/85/61/62/386856162.db2.gz GMYUQODMUGWJCI-XHBSWPGZSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CCC1CCCC1 ZINC000357858285 386856168 /nfs/dbraw/zinc/85/61/68/386856168.db2.gz GMYUQODMUGWJCI-XHBSWPGZSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1ncccc1CN1CC2(C1)CCOCC2 ZINC000334793071 386859675 /nfs/dbraw/zinc/85/96/75/386859675.db2.gz TVAMGYZGGQRWDG-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CCC(=O)N1CCN(C[C@@H]2CCCC[C@@H]2C)C1 ZINC000425346939 386861316 /nfs/dbraw/zinc/86/13/16/386861316.db2.gz JYCMPHLCZJAZOJ-STQMWFEESA-N 0 1 238.375 2.324 20 0 BEADMN Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1 ZINC000335749218 386873355 /nfs/dbraw/zinc/87/33/55/386873355.db2.gz CZNNYVBSJFVJMJ-GHMZBOCLSA-N 0 1 234.347 2.124 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1 ZINC000335749218 386873357 /nfs/dbraw/zinc/87/33/57/386873357.db2.gz CZNNYVBSJFVJMJ-GHMZBOCLSA-N 0 1 234.347 2.124 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCOC[C@@H](C)C1 ZINC000335749122 386873766 /nfs/dbraw/zinc/87/37/66/386873766.db2.gz QZRSZLPNMYBAED-NWDGAFQWSA-N 0 1 220.316 2.111 20 0 BEADMN Cc1occc1CN[C@@H]1c2ccccc2C[C@H]1O ZINC000334836405 386878344 /nfs/dbraw/zinc/87/83/44/386878344.db2.gz ORJIGNCPKRAIKT-HUUCEWRRSA-N 0 1 243.306 2.336 20 0 BEADMN Cc1occc1CN1CC2(C1)CCOCC2 ZINC000334841277 386885759 /nfs/dbraw/zinc/88/57/59/386885759.db2.gz GFYGUJMODMGTBI-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H](F)C1 ZINC000334845702 386895008 /nfs/dbraw/zinc/89/50/08/386895008.db2.gz VHPOAXCJIPQAFJ-VIFPVBQESA-N 0 1 239.294 2.026 20 0 BEADMN CC(C)(C)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000330731190 386886610 /nfs/dbraw/zinc/88/66/10/386886610.db2.gz QEVQDBMIYIGNMG-UHFFFAOYSA-N 0 1 245.326 2.268 20 0 BEADMN C[C@]1(O)CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301883516 386887354 /nfs/dbraw/zinc/88/73/54/386887354.db2.gz NJEMVDXQQQWQHP-AWEZNQCLSA-N 0 1 246.285 2.335 20 0 BEADMN CC(C)(C)c1nnc(CNC2CC(C)(C)C2)[nH]1 ZINC000331744529 386890558 /nfs/dbraw/zinc/89/05/58/386890558.db2.gz BZYKVHGWNMECFH-UHFFFAOYSA-N 0 1 236.363 2.380 20 0 BEADMN NC1(c2noc(C[C@H]3C=CCC3)n2)CCCC1 ZINC000334844422 386891060 /nfs/dbraw/zinc/89/10/60/386891060.db2.gz QRKCRPRXQNPROP-JTQLQIEISA-N 0 1 233.315 2.306 20 0 BEADMN Cc1[nH]ncc1CN=c1[nH]c2cc(F)ccc2o1 ZINC000358210684 386914026 /nfs/dbraw/zinc/91/40/26/386914026.db2.gz KUCVYTHGXHEGIB-UHFFFAOYSA-N 0 1 246.245 2.032 20 0 BEADMN CCC[C@]1(C)CCCN(Cc2cn(C)nn2)C1 ZINC000341565105 386918692 /nfs/dbraw/zinc/91/86/92/386918692.db2.gz NQFBXHATBIBPIS-CYBMUJFWSA-N 0 1 236.363 2.217 20 0 BEADMN CCCCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352888376 386895783 /nfs/dbraw/zinc/89/57/83/386895783.db2.gz OEYWXPGWIDNNBS-WDMOLILDSA-N 0 1 217.378 2.018 20 0 BEADMN CCOc1ccccc1CN1CC2(C1)CCOC2 ZINC000293923897 386902828 /nfs/dbraw/zinc/90/28/28/386902828.db2.gz GWKNVPZKBXUHAI-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN C[C@@H]1CC[C@H](c2nc(C3(N)CCC3)no2)C1 ZINC000334851973 386902989 /nfs/dbraw/zinc/90/29/89/386902989.db2.gz DOVBXVSROWKGCO-BDAKNGLRSA-N 0 1 221.304 2.311 20 0 BEADMN CSC1(c2nc(C3(N)CCC3)no2)CCC1 ZINC000334853711 386904902 /nfs/dbraw/zinc/90/49/02/386904902.db2.gz MXRARHPBKDEODN-UHFFFAOYSA-N 0 1 239.344 2.150 20 0 BEADMN CC(C)(C)c1nnc(CN[C@@H]2CCC2(C)C)[nH]1 ZINC000331791350 386906093 /nfs/dbraw/zinc/90/60/93/386906093.db2.gz PXGDIOCVNUXUHX-SECBINFHSA-N 0 1 236.363 2.380 20 0 BEADMN CC(C)[C@H]1C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000334855459 386906267 /nfs/dbraw/zinc/90/62/67/386906267.db2.gz XVILHBXRHPKZIR-BDAKNGLRSA-N 0 1 221.304 2.167 20 0 BEADMN CC(C)C[C@@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000302161013 386908301 /nfs/dbraw/zinc/90/83/01/386908301.db2.gz PNVVUIBRVVCFQN-NSHDSACASA-N 0 1 247.342 2.053 20 0 BEADMN NC1(c2noc(/C=C/c3ccc[nH]3)n2)CCCC1 ZINC000334857698 386911844 /nfs/dbraw/zinc/91/18/44/386911844.db2.gz XRWTUGSOJDHRGK-AATRIKPKSA-N 0 1 244.298 2.296 20 0 BEADMN OC[C@@H]1CCCN1Cc1ccsc1Cl ZINC000335773348 386921354 /nfs/dbraw/zinc/92/13/54/386921354.db2.gz SLLSMCLBGFRPIW-VIFPVBQESA-N 0 1 231.748 2.358 20 0 BEADMN C[C@@H]1CCC[C@]1(C)c1nc(C2(N)CCC2)no1 ZINC000334865562 386921794 /nfs/dbraw/zinc/92/17/94/386921794.db2.gz GQNCPNBRXGWVQW-SKDRFNHKSA-N 0 1 235.331 2.485 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@H](C2CC2)C1 ZINC000335772903 386922240 /nfs/dbraw/zinc/92/22/40/386922240.db2.gz UCEOFGWPLPBLRZ-JTQLQIEISA-N 0 1 239.750 2.305 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000330940863 386926099 /nfs/dbraw/zinc/92/60/99/386926099.db2.gz CQEORQFWNAJBSE-ZJUUUORDSA-N 0 1 237.347 2.238 20 0 BEADMN CCN(CC(=O)N(C)C1CC(C)(C)C1)C1CC1 ZINC000458187255 386929507 /nfs/dbraw/zinc/92/95/07/386929507.db2.gz NRULWYFYFKCHGO-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)(c1nc(C2(N)CCC2)no1)C1CCC1 ZINC000334872475 386932813 /nfs/dbraw/zinc/93/28/13/386932813.db2.gz WZKDIJODPBBBIM-UHFFFAOYSA-N 0 1 235.331 2.485 20 0 BEADMN CC[C@]1(C)CCN(Cc2cncnc2OC)C1 ZINC000648011257 386936177 /nfs/dbraw/zinc/93/61/77/386936177.db2.gz LCICCYBQWGUANC-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN Cc1cc(C(=O)N(CC2CC2)C2CCC2)n[nH]1 ZINC000358425163 386953996 /nfs/dbraw/zinc/95/39/96/386953996.db2.gz KZPIOTMAUFKRHN-UHFFFAOYSA-N 0 1 233.315 2.123 20 0 BEADMN CCn1nncc1CNCc1ccc(C)cc1C ZINC000417889980 386963772 /nfs/dbraw/zinc/96/37/72/386963772.db2.gz VIMRZIZELXEHNF-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN FCCCCCN1CCN(CC(F)F)CC1 ZINC000341877523 386982898 /nfs/dbraw/zinc/98/28/98/386982898.db2.gz RPABJKOLSTZAOQ-UHFFFAOYSA-N 0 1 238.297 2.009 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCCCF ZINC000341880610 386984307 /nfs/dbraw/zinc/98/43/07/386984307.db2.gz FQUBLJJAQMCPIM-UHFFFAOYSA-N 0 1 219.300 2.010 20 0 BEADMN FC(F)OC[C@H]1CCN(Cc2ccccn2)C1 ZINC000353007133 386986344 /nfs/dbraw/zinc/98/63/44/386986344.db2.gz JFAXAQUQJPOLKK-JTQLQIEISA-N 0 1 242.269 2.143 20 0 BEADMN Cn1nccc1CNC1(c2ccc(F)cc2)CC1 ZINC000358607031 386987374 /nfs/dbraw/zinc/98/73/74/386987374.db2.gz FNDKVSLRPNUICY-UHFFFAOYSA-N 0 1 245.301 2.338 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCCCF ZINC000341903734 386987859 /nfs/dbraw/zinc/98/78/59/386987859.db2.gz HLEPZOKLHHUPFA-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCCCF ZINC000341903731 386988572 /nfs/dbraw/zinc/98/85/72/386988572.db2.gz HLEPZOKLHHUPFA-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CCOC1 ZINC000368585411 386989235 /nfs/dbraw/zinc/98/92/35/386989235.db2.gz QSVSRHWPCDDUFE-IYYTYJHQSA-N 0 1 237.274 2.026 20 0 BEADMN Cc1cnc(NC(=O)c2ncc(C)cc2O)s1 ZINC000358618468 386990378 /nfs/dbraw/zinc/99/03/78/386990378.db2.gz UYADJRXXUCZQIL-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN CO[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000353012692 386990706 /nfs/dbraw/zinc/99/07/06/386990706.db2.gz ASLBSAGLPGRQLO-GFCCVEGCSA-N 0 1 247.298 2.172 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CC[C@@H](C)C2)nc1 ZINC000334916592 386991435 /nfs/dbraw/zinc/99/14/35/386991435.db2.gz XHSCGIFNNAAOIV-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN c1csc(CN2CCC[C@H]3COCC[C@H]32)n1 ZINC000334919918 386995683 /nfs/dbraw/zinc/99/56/83/386995683.db2.gz ADANSMVKWOGFBJ-WDEREUQCSA-N 0 1 238.356 2.144 20 0 BEADMN c1csc(CN2CCC[C@@H]3COCC[C@@H]32)n1 ZINC000334919916 386995741 /nfs/dbraw/zinc/99/57/41/386995741.db2.gz ADANSMVKWOGFBJ-MNOVXSKESA-N 0 1 238.356 2.144 20 0 BEADMN Cc1c[nH]nc1CN1CCC(C2CC2)CC1 ZINC000368639906 386997865 /nfs/dbraw/zinc/99/78/65/386997865.db2.gz YYOPERUWRFUHHK-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN CCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000368642424 386997973 /nfs/dbraw/zinc/99/79/73/386997973.db2.gz MJFWIXOTSHFTOC-CHWSQXEVSA-N 0 1 239.359 2.247 20 0 BEADMN CC(C)C[C@H](C)CN1CCn2cncc2C1 ZINC000368665015 386999554 /nfs/dbraw/zinc/99/95/54/386999554.db2.gz ABEOIYBKJQZBDG-LBPRGKRZSA-N 0 1 221.348 2.381 20 0 BEADMN C[C@@]1(O)C[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000334955623 387034060 /nfs/dbraw/zinc/03/40/60/387034060.db2.gz NJCRTOYZQIUWFC-WVSHTKLVSA-N 0 1 241.718 2.049 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC(C)CC2)cc1 ZINC000228075250 387066470 /nfs/dbraw/zinc/06/64/70/387066470.db2.gz UWKJRITVYRDBIL-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C2CC2)C2CCC2)c1C ZINC000333535301 387042600 /nfs/dbraw/zinc/04/26/00/387042600.db2.gz QYLBCHKAEWWGOB-CYBMUJFWSA-N 0 1 247.342 2.335 20 0 BEADMN CCN1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1C ZINC000334966769 387048771 /nfs/dbraw/zinc/04/87/71/387048771.db2.gz FOIWQLYRJNYIKP-CHWSQXEVSA-N 0 1 247.386 2.183 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334967629 387051145 /nfs/dbraw/zinc/05/11/45/387051145.db2.gz PODAZKWQPLELKU-WDEREUQCSA-N 0 1 215.312 2.114 20 0 BEADMN Cn1c(=O)[nH]nc1SC[C@@H]1CCCC1(F)F ZINC000334969736 387053343 /nfs/dbraw/zinc/05/33/43/387053343.db2.gz ZARUPWPURRKNKO-LURJTMIESA-N 0 1 249.286 2.048 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C(C)(C)O)cs1 ZINC000305633175 387059552 /nfs/dbraw/zinc/05/95/52/387059552.db2.gz NLLYMKVDNFIDFE-LLVKDONJSA-N 0 1 240.372 2.187 20 0 BEADMN COc1ccc(CN2CCC23CCC3)nc1 ZINC000334976346 387061959 /nfs/dbraw/zinc/06/19/59/387061959.db2.gz UWGXJALDNJXACA-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334975773 387062171 /nfs/dbraw/zinc/06/21/71/387062171.db2.gz JWFAKCFHKBWPCX-NSHDSACASA-N 0 1 233.315 2.158 20 0 BEADMN CCC[C@H]1SCCN1C(=O)c1cc(C)[nH]n1 ZINC000118649012 387065602 /nfs/dbraw/zinc/06/56/02/387065602.db2.gz FVOSCSHSFMJHIM-SNVBAGLBSA-N 0 1 239.344 2.033 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cn1 ZINC000336224970 387065724 /nfs/dbraw/zinc/06/57/24/387065724.db2.gz RYNFDRRJWWEWJL-HNNXBMFYSA-N 0 1 246.354 2.393 20 0 BEADMN C[C@H](N[C@H]1COC(C)(C)C1)c1ccncc1F ZINC000334937142 387013717 /nfs/dbraw/zinc/01/37/17/387013717.db2.gz VOEZJNVRXWRZDE-VHSXEESVSA-N 0 1 238.306 2.439 20 0 BEADMN Cn1cccc1CN[C@H]1COCc2ccccc21 ZINC000334937560 387013739 /nfs/dbraw/zinc/01/37/39/387013739.db2.gz NTWVTOQYQXNMSQ-HNNXBMFYSA-N 0 1 242.322 2.386 20 0 BEADMN COc1cccnc1CN[C@@H]1CC[C@H]1SC ZINC000425374877 387014012 /nfs/dbraw/zinc/01/40/12/387014012.db2.gz XYDKWTDSSSWVLY-BXKDBHETSA-N 0 1 238.356 2.074 20 0 BEADMN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1cc(C)on1 ZINC000514608558 387014531 /nfs/dbraw/zinc/01/45/31/387014531.db2.gz VZQLDPWTXITLER-UFGOTCBOSA-N 0 1 240.347 2.431 20 0 BEADMN COC(=O)C1(C)CN(Cc2cccc(C)c2C)C1 ZINC000425374433 387015336 /nfs/dbraw/zinc/01/53/36/387015336.db2.gz PZLKSMMGHAMGGP-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN COc1ncncc1CN1C[C@H](C)CC(C)(C)C1 ZINC000648022703 387019279 /nfs/dbraw/zinc/01/92/79/387019279.db2.gz VNWUIRYHQUUDBW-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN C(N[C@@H]1CCC12CCC2)c1nnc(C2CC2)[nH]1 ZINC000333262632 387025225 /nfs/dbraw/zinc/02/52/25/387025225.db2.gz UUIAJPPRDMOWPL-SNVBAGLBSA-N 0 1 232.331 2.104 20 0 BEADMN C[C@H](C(=O)Nc1ccccn1)N1CCCCCC1 ZINC000118758499 387069531 /nfs/dbraw/zinc/06/95/31/387069531.db2.gz PRPIEWURBVKGPB-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN C[C@H]1C[C@H]1c1noc(C23CCCN2CCC3)n1 ZINC000334981905 387070295 /nfs/dbraw/zinc/07/02/95/387070295.db2.gz SUBIXTVEBGBGHE-VHSXEESVSA-N 0 1 233.315 2.278 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@H]1C[C@]1(C)CC ZINC000359240997 387071508 /nfs/dbraw/zinc/07/15/08/387071508.db2.gz ZJFUDKZQDVJOIV-BZPMIXESSA-N 0 1 238.375 2.023 20 0 BEADMN COC[C@H](C)N1CCC[C@H]1c1nccs1 ZINC000369825951 387072549 /nfs/dbraw/zinc/07/25/49/387072549.db2.gz NHGYZAUVXGOLFE-UWVGGRQHSA-N 0 1 226.345 2.315 20 0 BEADMN C[C@H](NCc1cccnc1)c1ccncc1 ZINC000020140809 387074288 /nfs/dbraw/zinc/07/42/88/387074288.db2.gz LYNWRNDHMKBNOL-NSHDSACASA-N 0 1 213.284 2.327 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000418120847 387074636 /nfs/dbraw/zinc/07/46/36/387074636.db2.gz WLIHUQAUWUSLIY-GHMZBOCLSA-N 0 1 237.347 2.121 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000352320654 387076510 /nfs/dbraw/zinc/07/65/10/387076510.db2.gz RYNWKXJZZHCNJQ-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccncc2)cn1 ZINC000020186177 387076600 /nfs/dbraw/zinc/07/66/00/387076600.db2.gz ZQYPVQHWWOURHA-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN CCn1nncc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000418055415 387077059 /nfs/dbraw/zinc/07/70/59/387077059.db2.gz BHLWYEAJKFWKHR-CYBMUJFWSA-N 0 1 246.358 2.063 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000336240133 387079132 /nfs/dbraw/zinc/07/91/32/387079132.db2.gz QQNGEUXNFKSNNB-LLVKDONJSA-N 0 1 206.289 2.215 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@]1(C)CC=CCC1 ZINC000336240679 387079960 /nfs/dbraw/zinc/07/99/60/387079960.db2.gz ORUVSUAVGOHYLM-ZDUSSCGKSA-N 0 1 233.315 2.081 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cc(C)nn1C ZINC000418065600 387081092 /nfs/dbraw/zinc/08/10/92/387081092.db2.gz KATZSUABAQNZTN-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN c1cnc(CN[C@H]2CCC23CCCC3)nc1 ZINC000336257206 387087656 /nfs/dbraw/zinc/08/76/56/387087656.db2.gz BHIBMRSKWYPUHE-NSHDSACASA-N 0 1 217.316 2.289 20 0 BEADMN c1nnsc1CN1CCCC12CCC2 ZINC000336257436 387088474 /nfs/dbraw/zinc/08/84/74/387088474.db2.gz HMEOPZHPTIQGCY-UHFFFAOYSA-N 0 1 209.318 2.057 20 0 BEADMN Cc1c([C@@H](C)NC2CC2)nnn1-c1ccccc1 ZINC000359359075 387091780 /nfs/dbraw/zinc/09/17/80/387091780.db2.gz BFWCUFWKCOGEOT-SNVBAGLBSA-N 0 1 242.326 2.389 20 0 BEADMN CCC[C@H](CC)[S@@](=O)Cc1n[nH]c(CC)n1 ZINC000359394180 387095900 /nfs/dbraw/zinc/09/59/00/387095900.db2.gz QQEPQUIYSBUIOM-FVMDXXJSSA-N 0 1 243.376 2.195 20 0 BEADMN O=C(Nc1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000067718916 387098334 /nfs/dbraw/zinc/09/83/34/387098334.db2.gz RECJLUJRWKVOLO-GFCCVEGCSA-N 0 1 245.326 2.045 20 0 BEADMN O=C(Nc1ccccc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000067718917 387098702 /nfs/dbraw/zinc/09/87/02/387098702.db2.gz RECJLUJRWKVOLO-LBPRGKRZSA-N 0 1 245.326 2.045 20 0 BEADMN CCC[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000085828058 387112450 /nfs/dbraw/zinc/11/24/50/387112450.db2.gz YMFNTBWYRUAPPD-MRVPVSSYSA-N 0 1 211.261 2.381 20 0 BEADMN Cn1ccnc1CNCC1(C(F)(F)F)CCC1 ZINC000353088436 387114771 /nfs/dbraw/zinc/11/47/71/387114771.db2.gz LLXAZISZSOBXRN-UHFFFAOYSA-N 0 1 247.264 2.242 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCO2)c(C)n1 ZINC000186684858 387121172 /nfs/dbraw/zinc/12/11/72/387121172.db2.gz WKXIKSNYWPCOMY-CQSZACIVSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1cccc2[nH]c(=NCCN3CCC3)sc21 ZINC000359554566 387121493 /nfs/dbraw/zinc/12/14/93/387121493.db2.gz XDQYEQSAXZADLP-UHFFFAOYSA-N 0 1 247.367 2.144 20 0 BEADMN CC(C)(C)[C@@H]1CN(C(=O)CN)c2ccccc21 ZINC000335030015 387124613 /nfs/dbraw/zinc/12/46/13/387124613.db2.gz MIXBJECGQGKHOP-LLVKDONJSA-N 0 1 232.327 2.122 20 0 BEADMN COc1ccc(C2CCN(CC(C)=O)CC2)cc1 ZINC000639503050 387128660 /nfs/dbraw/zinc/12/86/60/387128660.db2.gz JRZMCHBPEIMPTC-UHFFFAOYSA-N 0 1 247.338 2.464 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCCCC2)cc1 ZINC000228090363 387068302 /nfs/dbraw/zinc/06/83/02/387068302.db2.gz UXKHEGCAWMBIAV-ZDUSSCGKSA-N 0 1 232.327 2.007 20 0 BEADMN CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@H](C)[C@@H]2C)nn1 ZINC000418125541 387150760 /nfs/dbraw/zinc/15/07/60/387150760.db2.gz NUZAHEDATQTASF-WOPDTQHZSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@H](C)[C@@H]2C)nn1 ZINC000418125541 387150767 /nfs/dbraw/zinc/15/07/67/387150767.db2.gz NUZAHEDATQTASF-WOPDTQHZSA-N 0 1 236.363 2.335 20 0 BEADMN Cc1cnn(CC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000336324826 387152439 /nfs/dbraw/zinc/15/24/39/387152439.db2.gz RJPREWPNCFHXCD-RYUDHWBXSA-N 0 1 239.388 2.017 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C)C2)o1 ZINC000336326074 387153998 /nfs/dbraw/zinc/15/39/98/387153998.db2.gz FAQSKHXQLREQTF-RKDXNWHRSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)[C@H]1C[C@H]1C ZINC000322158587 387154342 /nfs/dbraw/zinc/15/43/42/387154342.db2.gz JOFLZCSRYRWVBT-HLTSFMKQSA-N 0 1 227.739 2.208 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)[C@@H]1C[C@H]1C ZINC000322158591 387154670 /nfs/dbraw/zinc/15/46/70/387154670.db2.gz JOFLZCSRYRWVBT-IWSPIJDZSA-N 0 1 227.739 2.208 20 0 BEADMN NC(=O)[C@@H](c1ccccc1)N1CCCC2(CC2)C1 ZINC000186958560 387156265 /nfs/dbraw/zinc/15/62/65/387156265.db2.gz AFSSBVQILULDFQ-CYBMUJFWSA-N 0 1 244.338 2.089 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cn2c(cccc2C)n1 ZINC000353206552 387157608 /nfs/dbraw/zinc/15/76/08/387157608.db2.gz WOJIMKJFZJAZPM-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN COc1c2ccccc2oc1CN[C@@H]1CCOC1 ZINC000353211459 387158830 /nfs/dbraw/zinc/15/88/30/387158830.db2.gz TUAQHHDQAOTSRJ-SNVBAGLBSA-N 0 1 247.294 2.320 20 0 BEADMN CCCNC(=O)CNCc1cccc(CCC)c1 ZINC000187099288 387170817 /nfs/dbraw/zinc/17/08/17/387170817.db2.gz QYFQOHVEANRMNY-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000062935671 387185007 /nfs/dbraw/zinc/18/50/07/387185007.db2.gz XHJYEGBXZRTONV-CYBMUJFWSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@]1(NCc2ccc(F)cc2F)CCOC1 ZINC000120121437 387185860 /nfs/dbraw/zinc/18/58/60/387185860.db2.gz KPNGLEOYWOCOJK-LBPRGKRZSA-N 0 1 227.254 2.233 20 0 BEADMN CCc1cccc(F)c1CN(CC)CCO ZINC000353362228 387187667 /nfs/dbraw/zinc/18/76/67/387187667.db2.gz FYBGAAGLYLHJQH-UHFFFAOYSA-N 0 1 225.307 2.202 20 0 BEADMN CCC[C@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186750976 387132832 /nfs/dbraw/zinc/13/28/32/387132832.db2.gz TZBVQZSRQFZIHW-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc(CCCN2CCOC[C@@H]2C)cn1 ZINC000353442585 387202087 /nfs/dbraw/zinc/20/20/87/387202087.db2.gz BDHMQTJYRDEGLX-ZDUSSCGKSA-N 0 1 234.343 2.043 20 0 BEADMN CCN(Cc1cc(OC)ccc1F)C[C@@H](C)O ZINC000353463412 387207199 /nfs/dbraw/zinc/20/71/99/387207199.db2.gz RHPLCHNAHHAGPN-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CC(=O)c1cc(CN2C[C@@H]3CCC[C@@H]3C2)on1 ZINC000571962529 387208877 /nfs/dbraw/zinc/20/88/77/387208877.db2.gz WMGXGRFNGOSEKP-PHIMTYICSA-N 0 1 234.299 2.109 20 0 BEADMN Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)[O-])o1 ZINC000309781613 387219573 /nfs/dbraw/zinc/21/95/73/387219573.db2.gz RIMVRCOSMANTFL-VHSXEESVSA-N 0 1 223.272 2.198 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@@H]1CC=CCC1 ZINC000353531851 387222702 /nfs/dbraw/zinc/22/27/02/387222702.db2.gz PPRUSGBSFSLYAX-LLVKDONJSA-N 0 1 205.305 2.198 20 0 BEADMN CCSCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000572058480 387225689 /nfs/dbraw/zinc/22/56/89/387225689.db2.gz ALRKTTRTIJHIKQ-HBNTYKKESA-N 0 1 245.388 2.313 20 0 BEADMN C[C@H]1Cc2ccccc2C[N@H+]1CC1(C(=O)[O-])CC1 ZINC000572047759 387228209 /nfs/dbraw/zinc/22/82/09/387228209.db2.gz BRPXGESILNIPGN-NSHDSACASA-N 0 1 245.322 2.298 20 0 BEADMN Cc1noc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000336408314 387236959 /nfs/dbraw/zinc/23/69/59/387236959.db2.gz OZNCCZGSTJHKGK-WDEREUQCSA-N 0 1 221.304 2.143 20 0 BEADMN O=C(c1ccco1)N1CCC(c2cnc[nH]2)CC1 ZINC000336423621 387253535 /nfs/dbraw/zinc/25/35/35/387253535.db2.gz YSQNUKJZPDMIAG-UHFFFAOYSA-N 0 1 245.282 2.023 20 0 BEADMN CC(C)[N@@H+](Cc1oncc1C(=O)[O-])C1CCC1 ZINC000572127701 387240327 /nfs/dbraw/zinc/24/03/27/387240327.db2.gz OXZQYMHWRHGGJE-UHFFFAOYSA-N 0 1 238.287 2.136 20 0 BEADMN CN(Cc1ncccn1)[C@@H]1CCC(C)(C)C1 ZINC000336412283 387240933 /nfs/dbraw/zinc/24/09/33/387240933.db2.gz OSDGQUOBIXIRPR-LLVKDONJSA-N 0 1 219.332 2.487 20 0 BEADMN COC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000353613891 387240955 /nfs/dbraw/zinc/24/09/55/387240955.db2.gz QHOKUNCZTJBOMP-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN COC[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000353613676 387242010 /nfs/dbraw/zinc/24/20/10/387242010.db2.gz PBZQZQXAWAZRAU-VIFPVBQESA-N 0 1 229.707 2.401 20 0 BEADMN Cc1cnn(C)c1CNCc1cccc(F)c1 ZINC000285242852 387253695 /nfs/dbraw/zinc/25/36/95/387253695.db2.gz ABOLQEBCOCRIKM-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CCN(CC(=O)N(CC(C)C)C1CC1)C1CC1 ZINC000097478310 387247027 /nfs/dbraw/zinc/24/70/27/387247027.db2.gz UAUYCKGTHBMIAU-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN COc1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000187398654 387195448 /nfs/dbraw/zinc/19/54/48/387195448.db2.gz VOQMVTFUPWTEEE-UHFFFAOYSA-N 0 1 244.298 2.303 20 0 BEADMN CCC[C@H](C)[C@@H](CC)NCC(F)(F)CN ZINC000423346385 387196116 /nfs/dbraw/zinc/19/61/16/387196116.db2.gz OWGDFFQXHLMPRS-VHSXEESVSA-N 0 1 222.323 2.385 20 0 BEADMN C[C@H](NCC(F)(F)CN)[C@H]1CCCC[C@H]1C ZINC000423347788 387196996 /nfs/dbraw/zinc/19/69/96/387196996.db2.gz RCQBTSIIPPRAHH-VWYCJHECSA-N 0 1 234.334 2.385 20 0 BEADMN CC1(C)CCC[C@H](NCC(F)(F)CN)C1 ZINC000423347580 387197968 /nfs/dbraw/zinc/19/79/68/387197968.db2.gz QQISCQIRCZNRJG-VIFPVBQESA-N 0 1 220.307 2.139 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1C(=O)CN(CC)C1CC1 ZINC000187466672 387198183 /nfs/dbraw/zinc/19/81/83/387198183.db2.gz YYJPPAXWZDLPPY-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000336370983 387200380 /nfs/dbraw/zinc/20/03/80/387200380.db2.gz UAOKXTLTDFIGGA-RYUDHWBXSA-N 0 1 248.374 2.408 20 0 BEADMN CCCC[C@H](C)[C@@H](C)NCC(F)(F)CN ZINC000423349642 387200746 /nfs/dbraw/zinc/20/07/46/387200746.db2.gz XGTGIQKQGSGSDK-VHSXEESVSA-N 0 1 222.323 2.385 20 0 BEADMN CCc1ccc(C[N@H+]2CCN(C)CC[C@@H]2C)o1 ZINC000336491914 387319218 /nfs/dbraw/zinc/31/92/18/387319218.db2.gz LVAXJXIFFAYTGN-LBPRGKRZSA-N 0 1 236.359 2.368 20 0 BEADMN CCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCC1 ZINC000161705953 387255815 /nfs/dbraw/zinc/25/58/15/387255815.db2.gz ORIKEAORTDCQRY-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN CC(C)c1ncc(CN2CC[C@](C)(O)C2)s1 ZINC000336432420 387258481 /nfs/dbraw/zinc/25/84/81/387258481.db2.gz JHYTYKPJVUSWSC-LBPRGKRZSA-N 0 1 240.372 2.223 20 0 BEADMN CCc1ccc(CCN2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000360294412 387259013 /nfs/dbraw/zinc/25/90/13/387259013.db2.gz YZECZTMDCNIOGI-AWEZNQCLSA-N 0 1 246.398 2.427 20 0 BEADMN Cc1nc(CN[C@@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230316970 387260960 /nfs/dbraw/zinc/26/09/60/387260960.db2.gz FKKSVIZADVOSTA-VXGBXAGGSA-N 0 1 238.356 2.109 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000424730521 387261975 /nfs/dbraw/zinc/26/19/75/387261975.db2.gz DWPBGVGBTZVXLE-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCCC[C@@H]2C)n1 ZINC000424730521 387261978 /nfs/dbraw/zinc/26/19/78/387261978.db2.gz DWPBGVGBTZVXLE-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN C=C/C=C/CCN1CC[C@H](C)C[C@H]1C(=O)OC ZINC001645380001 1172661023 /nfs/dbraw/zinc/66/10/23/1172661023.db2.gz LDFMLGYHXTVINY-AAAGKOELSA-N 0 1 237.343 2.392 20 0 BEADMN Cc1cnn(C)c1CN[C@H]1CCCc2occc21 ZINC000285487064 387267848 /nfs/dbraw/zinc/26/78/48/387267848.db2.gz PALDELWXFUMCFQ-LBPRGKRZSA-N 0 1 245.326 2.489 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cnoc1C ZINC000459712455 387268662 /nfs/dbraw/zinc/26/86/62/387268662.db2.gz MYCLOVYPNCVLEH-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1ccccc1SCCc1c[nH]nn1 ZINC000572226347 387270331 /nfs/dbraw/zinc/27/03/31/387270331.db2.gz FVSPCNFYNHDDRH-UHFFFAOYSA-N 0 1 219.313 2.448 20 0 BEADMN COC(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360595035 387317537 /nfs/dbraw/zinc/31/75/37/387317537.db2.gz JMBMPXCCSMPCSK-GFCCVEGCSA-N 0 1 239.359 2.452 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1nc2ccccc2n1C ZINC000189257892 387278438 /nfs/dbraw/zinc/27/84/38/387278438.db2.gz QIZKAUJMYHLACU-GHMZBOCLSA-N 0 1 247.342 2.259 20 0 BEADMN CC/C=C/CCN1CCO[C@@H](COC(C)C)C1 ZINC000372165972 387281774 /nfs/dbraw/zinc/28/17/74/387281774.db2.gz BIXIJOLDLZZZTJ-VBROQKIQSA-N 0 1 241.375 2.469 20 0 BEADMN CC(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352523396 387287439 /nfs/dbraw/zinc/28/74/39/387287439.db2.gz LUTZCJRNHYXMRA-LLVKDONJSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000352523397 387288603 /nfs/dbraw/zinc/28/86/03/387288603.db2.gz LUTZCJRNHYXMRA-NSHDSACASA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C(=O)Nc1ccc(O)cc1)c1cnc[nH]1 ZINC000336460614 387290112 /nfs/dbraw/zinc/29/01/12/387290112.db2.gz LVOHHMJFBGFUEG-UHFFFAOYSA-N 0 1 245.282 2.032 20 0 BEADMN CCCn1c(C)nnc1CN1CCC2(CC2)CC1 ZINC000372329798 387291589 /nfs/dbraw/zinc/29/15/89/387291589.db2.gz CZNQRHNAQJECTQ-UHFFFAOYSA-N 0 1 248.374 2.373 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC[C@H](C)C2)c1C ZINC000336462325 387292469 /nfs/dbraw/zinc/29/24/69/387292469.db2.gz SVWFRZLIMYGRNH-GZMMTYOYSA-N 0 1 235.331 2.193 20 0 BEADMN C[C@@H]1[C@H](C)[N@H+](C)CCN1CCCc1ccncc1 ZINC000360476733 387295550 /nfs/dbraw/zinc/29/55/50/387295550.db2.gz WPJREALYFLYLDQ-UONOGXRCSA-N 0 1 247.386 2.039 20 0 BEADMN c1cncc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372353312 387296069 /nfs/dbraw/zinc/29/60/69/387296069.db2.gz DVMFRYHUZFPMMR-OAHLLOKOSA-N 0 1 246.354 2.473 20 0 BEADMN Cc1nc(CN2CCc3sccc3[C@H]2C)n[nH]1 ZINC000336471804 387301443 /nfs/dbraw/zinc/30/14/43/387301443.db2.gz JVGKVUWEZJYIQC-MRVPVSSYSA-N 0 1 248.355 2.294 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC2(CCCC2)CC1 ZINC000150896970 387318923 /nfs/dbraw/zinc/31/89/23/387318923.db2.gz MCHWMXARHJLDEK-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN CO[C@@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000373290314 387355531 /nfs/dbraw/zinc/35/55/31/387355531.db2.gz VQVDYVICHRTORW-CMPLNLGQSA-N 0 1 224.304 2.155 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@H](C)CC ZINC000423525753 387355669 /nfs/dbraw/zinc/35/56/69/387355669.db2.gz YNWCADIMUJLOAS-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2cnc[nH]2)CC1 ZINC000336534683 387357944 /nfs/dbraw/zinc/35/79/44/387357944.db2.gz GHSDPUDOAPJFNF-JTQLQIEISA-N 0 1 221.304 2.062 20 0 BEADMN CCN(CC(=O)OC)C[C@H](C)Cc1ccccc1 ZINC000360870043 387359486 /nfs/dbraw/zinc/35/94/86/387359486.db2.gz GDASWVSFRUSSHY-CYBMUJFWSA-N 0 1 249.354 2.360 20 0 BEADMN Cc1ccc([C@@H](NCCO)c2ccccn2)cc1 ZINC000373413466 387363681 /nfs/dbraw/zinc/36/36/81/387363681.db2.gz RFOGFMIKLKNARE-OAHLLOKOSA-N 0 1 242.322 2.061 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H](C)C2)nc1 ZINC000336544578 387366048 /nfs/dbraw/zinc/36/60/48/387366048.db2.gz PRCVMXAXTRPFFM-LLVKDONJSA-N 0 1 219.332 2.407 20 0 BEADMN C[C@@H]1C[C@H](CN(C)Cc2nccs2)CCO1 ZINC000352617676 387384332 /nfs/dbraw/zinc/38/43/32/387384332.db2.gz HAEXXRGEHMCWDU-GHMZBOCLSA-N 0 1 240.372 2.390 20 0 BEADMN CCCC[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000360942454 387369978 /nfs/dbraw/zinc/36/99/78/387369978.db2.gz VHDGDSUPIWVGTI-NSHDSACASA-N 0 1 223.320 2.358 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000360945186 387370569 /nfs/dbraw/zinc/37/05/69/387370569.db2.gz QMRHIEABHJUCNC-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000360945186 387370572 /nfs/dbraw/zinc/37/05/72/387370572.db2.gz QMRHIEABHJUCNC-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN COC(=O)c1cnc([C@@H](C)NC2CCC2)s1 ZINC000315444337 387372212 /nfs/dbraw/zinc/37/22/12/387372212.db2.gz XOBAYKZVMXUNMN-SSDOTTSWSA-N 0 1 240.328 2.133 20 0 BEADMN Cc1cnc(CN2CC[C@H](C(C)C)C2)nc1 ZINC000336553083 387375206 /nfs/dbraw/zinc/37/52/06/387375206.db2.gz IEPZWCYFNNMPAU-LBPRGKRZSA-N 0 1 219.332 2.263 20 0 BEADMN COC[C@H](C)CN1Cc2cccc(F)c2C1 ZINC000515402111 387377387 /nfs/dbraw/zinc/37/73/87/387377387.db2.gz TXFBHAFJGORJAE-SNVBAGLBSA-N 0 1 223.291 2.424 20 0 BEADMN Cc1ccnc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000336554894 387377584 /nfs/dbraw/zinc/37/75/84/387377584.db2.gz VSUJOAFFDCOCMY-VXGBXAGGSA-N 0 1 217.316 2.017 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1ncccc1F ZINC000648483970 387381667 /nfs/dbraw/zinc/38/16/67/387381667.db2.gz XLJYPFSPGMOGLY-KWQFWETISA-N 0 1 226.320 2.062 20 0 BEADMN Cc1noc([C@H](C)NCCCc2ccncc2)n1 ZINC000360638288 387326529 /nfs/dbraw/zinc/32/65/29/387326529.db2.gz ZHWQMKXMKDCCNM-JTQLQIEISA-N 0 1 246.314 2.056 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H](C)C(C)(C)C)[nH]1 ZINC000336510155 387334679 /nfs/dbraw/zinc/33/46/79/387334679.db2.gz GUYQMFDZQSEKCO-QMMMGPOBSA-N 0 1 223.320 2.225 20 0 BEADMN Clc1cccnc1SCCc1c[nH]nn1 ZINC000572344540 387335287 /nfs/dbraw/zinc/33/52/87/387335287.db2.gz WRQVFBSYLJDCOG-UHFFFAOYSA-N 0 1 240.719 2.188 20 0 BEADMN C[C@]1(F)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263508766 387383473 /nfs/dbraw/zinc/38/34/73/387383473.db2.gz YAOBCPBKPMLCBP-ZDUSSCGKSA-N 0 1 237.274 2.319 20 0 BEADMN CC[C@@H]1C[C@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000648482507 387383551 /nfs/dbraw/zinc/38/35/51/387383551.db2.gz XAZRYIOPDCIKFN-GHMZBOCLSA-N 0 1 246.314 2.327 20 0 BEADMN CC[C@@H]1C[C@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000648482507 387383556 /nfs/dbraw/zinc/38/35/56/387383556.db2.gz XAZRYIOPDCIKFN-GHMZBOCLSA-N 0 1 246.314 2.327 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@H](C)C[C@H]1C ZINC000354220368 387347214 /nfs/dbraw/zinc/34/72/14/387347214.db2.gz FLHULLWAKKDCCA-NXEZZACHSA-N 0 1 237.299 2.297 20 0 BEADMN CO[C@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000373290316 387350603 /nfs/dbraw/zinc/35/06/03/387350603.db2.gz VQVDYVICHRTORW-PWSUYJOCSA-N 0 1 224.304 2.155 20 0 BEADMN Cc1cnc([C@@H](C)N2CCCCC2)cn1 ZINC000336599054 387424005 /nfs/dbraw/zinc/42/40/05/387424005.db2.gz CGOTUDRMVKOXPJ-LLVKDONJSA-N 0 1 205.305 2.332 20 0 BEADMN CC(C)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000336601067 387444160 /nfs/dbraw/zinc/44/41/60/387444160.db2.gz HFYCABHAPKFTAP-NSHDSACASA-N 0 1 247.342 2.405 20 0 BEADMN CC(C)[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000336601066 387444279 /nfs/dbraw/zinc/44/42/79/387444279.db2.gz HFYCABHAPKFTAP-LLVKDONJSA-N 0 1 247.342 2.405 20 0 BEADMN CCCC1(C(=O)N2C[C@H](C)N[C@@H](C)C2)CCC1 ZINC000336600186 387445042 /nfs/dbraw/zinc/44/50/42/387445042.db2.gz PJWWKCKLQUAMRL-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000354913205 387447368 /nfs/dbraw/zinc/44/73/68/387447368.db2.gz GHBITDDOOOWTCZ-PWSUYJOCSA-N 0 1 247.342 2.128 20 0 BEADMN Cc1oncc1CN1CCCO[C@@H](C(C)C)C1 ZINC000336612829 387454121 /nfs/dbraw/zinc/45/41/21/387454121.db2.gz OGNFIYWGJVNNPN-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCCC2(C)CC2)cc1 ZINC000423933823 387454551 /nfs/dbraw/zinc/45/45/51/387454551.db2.gz XILSYYCKZXETAQ-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN CCc1cccc(F)c1CN(C)C[C@@H](C)O ZINC000361008249 387387159 /nfs/dbraw/zinc/38/71/59/387387159.db2.gz DMMLPUPQIJOLKP-SNVBAGLBSA-N 0 1 225.307 2.201 20 0 BEADMN CC(C)CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082776956 387388113 /nfs/dbraw/zinc/38/81/13/387388113.db2.gz IWOAFXNTQJOZLI-JTQLQIEISA-N 0 1 215.337 2.304 20 0 BEADMN CCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000082777126 387388654 /nfs/dbraw/zinc/38/86/54/387388654.db2.gz WPYMAPRAOUWOSH-SECBINFHSA-N 0 1 201.310 2.058 20 0 BEADMN Cc1occc1CN[C@H]1CCCc2nn(C)cc21 ZINC000336574295 387397055 /nfs/dbraw/zinc/39/70/55/387397055.db2.gz PYKNGAWUXLOAAE-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN COC[C@@H](N[C@@H](C)c1nccs1)C(C)C ZINC000083398045 387408327 /nfs/dbraw/zinc/40/83/27/387408327.db2.gz XZXZQHCUEMODMC-VHSXEESVSA-N 0 1 228.361 2.465 20 0 BEADMN CCc1cccc(F)c1CN(C)C1CC(O)C1 ZINC000354656711 387411721 /nfs/dbraw/zinc/41/17/21/387411721.db2.gz HSSCPKDUYAYSRX-UHFFFAOYSA-N 0 1 237.318 2.343 20 0 BEADMN CO[C@H](CNc1cc(C)ccn1)C(C)C ZINC000268290800 387415504 /nfs/dbraw/zinc/41/55/04/387415504.db2.gz DJLKWWWTGCDZTD-LLVKDONJSA-N 0 1 208.305 2.473 20 0 BEADMN C[C@@H](O)CCCN1CCc2cccc(F)c2C1 ZINC000354721903 387422293 /nfs/dbraw/zinc/42/22/93/387422293.db2.gz BQACEAWRTXQFLW-LLVKDONJSA-N 0 1 237.318 2.345 20 0 BEADMN CCOCCN(Cc1ccncc1)C1CC1 ZINC000122274242 387503021 /nfs/dbraw/zinc/50/30/21/387503021.db2.gz ZBAJWQXSEBBSEA-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000042163618 387509301 /nfs/dbraw/zinc/50/93/01/387509301.db2.gz HCTLHPRODAMYDS-GFCCVEGCSA-N 0 1 237.274 2.265 20 0 BEADMN CC(C)CCCN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361651368 387518440 /nfs/dbraw/zinc/51/84/40/387518440.db2.gz CSVFKWGYGYQWKI-JYAVWHMHSA-N 0 1 231.405 2.264 20 0 BEADMN COC[C@H]1CCN1Cc1scnc1C1CC1 ZINC000354057374 387519130 /nfs/dbraw/zinc/51/91/30/387519130.db2.gz UNQHLKNFUOFVLN-SNVBAGLBSA-N 0 1 238.356 2.241 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](C)[C@H]2CCCOC2)o1 ZINC000355327315 387519858 /nfs/dbraw/zinc/51/98/58/387519858.db2.gz VLKSJJTWOQNZKE-WOPDTQHZSA-N 0 1 238.331 2.449 20 0 BEADMN CC[C@@H](C)N(C)Cc1occc1C(=O)OC ZINC000355344050 387521643 /nfs/dbraw/zinc/52/16/43/387521643.db2.gz NYAYIJWSANIKIZ-SECBINFHSA-N 0 1 225.288 2.297 20 0 BEADMN Cc1cc(C)c(CN[C@@H](C)c2cn[nH]c2)cn1 ZINC000396959546 387521884 /nfs/dbraw/zinc/52/18/84/387521884.db2.gz AXYFLDPWSPUBAF-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@H](O)C3(CC3)C2)o1 ZINC000375285972 387522405 /nfs/dbraw/zinc/52/24/05/387522405.db2.gz GTHSCHGWCQNNQF-OSMZGAPFSA-N 0 1 247.338 2.360 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cn1 ZINC000122417477 387530626 /nfs/dbraw/zinc/53/06/26/387530626.db2.gz AZPZMOIZRAMTLG-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCCO2)cn1 ZINC000122417477 387530627 /nfs/dbraw/zinc/53/06/27/387530627.db2.gz AZPZMOIZRAMTLG-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cn1 ZINC000122417227 387530664 /nfs/dbraw/zinc/53/06/64/387530664.db2.gz AZPZMOIZRAMTLG-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCCO2)cn1 ZINC000122417227 387530667 /nfs/dbraw/zinc/53/06/67/387530667.db2.gz AZPZMOIZRAMTLG-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C=Cn1cc(CNCc2cnc(C)cc2C)cn1 ZINC000397023700 387531054 /nfs/dbraw/zinc/53/10/54/387531054.db2.gz MDXCHGJHDDZDGF-UHFFFAOYSA-N 0 1 242.326 2.285 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nc(N(C)C)no1 ZINC000192737602 387532838 /nfs/dbraw/zinc/53/28/38/387532838.db2.gz JCPGXMROSKYTPA-SNVBAGLBSA-N 0 1 240.351 2.004 20 0 BEADMN C[C@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000192797963 387534646 /nfs/dbraw/zinc/53/46/46/387534646.db2.gz KJDGTCKQVNQZFT-IUCAKERBSA-N 0 1 242.388 2.472 20 0 BEADMN CCc1c[nH+]ccc1NC([O-])=C(C)C(F)(F)F ZINC000361795895 387535860 /nfs/dbraw/zinc/53/58/60/387535860.db2.gz MJBIMBDSYQVMRM-ZETCQYMHSA-N 0 1 246.232 2.203 20 0 BEADMN CC(C)Oc1ccc(CNCC2(F)CC2)cn1 ZINC000527222459 387536123 /nfs/dbraw/zinc/53/61/23/387536123.db2.gz WCNXVZGDXGWTEC-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@@H](O)CN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000192797998 387538798 /nfs/dbraw/zinc/53/87/98/387538798.db2.gz KJDGTCKQVNQZFT-RKDXNWHRSA-N 0 1 242.388 2.472 20 0 BEADMN CC(C)[C@@H]1CCN([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834813 387540808 /nfs/dbraw/zinc/54/08/08/387540808.db2.gz WZHBGDUVSYGOPZ-GHMZBOCLSA-N 0 1 249.362 2.047 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1nc(C)c(C)s1 ZINC000287583533 387462878 /nfs/dbraw/zinc/46/28/78/387462878.db2.gz XYJVNKWEAGJELP-SECBINFHSA-N 0 1 242.388 2.353 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)CCC2CC2)n1 ZINC000355034909 387468658 /nfs/dbraw/zinc/46/86/58/387468658.db2.gz LKYDPTNDZSSRJF-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)CCC2CC2)n1 ZINC000355034909 387468663 /nfs/dbraw/zinc/46/86/63/387468663.db2.gz LKYDPTNDZSSRJF-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C)C[C@H](C)N1 ZINC000424074436 387478859 /nfs/dbraw/zinc/47/88/59/387478859.db2.gz HFBPCYKPDBMTTO-WUHRBBMRSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1ccc(C[N@@H+](C)C2CCOCC2)cn1 ZINC000516214560 387481896 /nfs/dbraw/zinc/48/18/96/387481896.db2.gz ODYRSJSUUCWYKV-UHFFFAOYSA-N 0 1 234.343 2.255 20 0 BEADMN COC(=O)CN(CC1CCC(C)CC1)C1CC1 ZINC000355127855 387483222 /nfs/dbraw/zinc/48/32/22/387483222.db2.gz BUNFKUZHEFYFRD-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CN(CCC1CCCCC1)Cc1nnc[nH]1 ZINC000361551460 387488313 /nfs/dbraw/zinc/48/83/13/387488313.db2.gz JXFCJWGRWVFFPB-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN CCc1ccc(CN[C@H](C)c2cnn(C)c2)cn1 ZINC000352800429 387488918 /nfs/dbraw/zinc/48/89/18/387488918.db2.gz ZTISYXKPQYEILC-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN CC(C)(NCCC1(O)CCC1)c1nccs1 ZINC000396795258 387492377 /nfs/dbraw/zinc/49/23/77/387492377.db2.gz PNGMTTTWGGTHPO-UHFFFAOYSA-N 0 1 240.372 2.273 20 0 BEADMN CCCc1noc(CN2CC[C@H]3CCC[C@@H]32)n1 ZINC000355165957 387493177 /nfs/dbraw/zinc/49/31/77/387493177.db2.gz MUORYSSRROYASN-MNOVXSKESA-N 0 1 235.331 2.397 20 0 BEADMN CCC1(O)CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428220527 387592043 /nfs/dbraw/zinc/59/20/43/387592043.db2.gz HWVHHTIXTFQCIY-LBPRGKRZSA-N 0 1 249.358 2.083 20 0 BEADMN NC1(c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)CCC1 ZINC000422552555 387599650 /nfs/dbraw/zinc/59/96/50/387599650.db2.gz QQUOZRVTLFLJDP-AEJSXWLSSA-N 0 1 233.315 2.311 20 0 BEADMN CC1=C[C@H](C)CN(CCOCC(F)(F)F)C1 ZINC000430269162 387604522 /nfs/dbraw/zinc/60/45/22/387604522.db2.gz NDZIADJVUGSMOZ-VIFPVBQESA-N 0 1 237.265 2.463 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@H](C)C2)nn1C ZINC000430270794 387606361 /nfs/dbraw/zinc/60/63/61/387606361.db2.gz VTVHNRWMHLYDKY-JTQLQIEISA-N 0 1 219.332 2.127 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCCO2)ccn1 ZINC000527539505 387607843 /nfs/dbraw/zinc/60/78/43/387607843.db2.gz QZXLYYZFWCCBBA-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CN(C)c1ncc(CN(C)[C@@H]2C=CCCC2)cn1 ZINC000356220313 387629160 /nfs/dbraw/zinc/62/91/60/387629160.db2.gz MLRSXBSWNDCSPZ-CYBMUJFWSA-N 0 1 246.358 2.083 20 0 BEADMN CN(CC1CCCCC1)C(=O)CN(C)C1CC1 ZINC000122913182 387616219 /nfs/dbraw/zinc/61/62/19/387616219.db2.gz FAURBARUKVKGHH-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNCCn2cccn2)o1 ZINC000042351638 387629503 /nfs/dbraw/zinc/62/95/03/387629503.db2.gz RHZBCSPPMMXQFO-YPMHNXCESA-N 0 1 245.326 2.389 20 0 BEADMN Cc1csc(CN2CCC[C@@H](C)[C@@H]2CO)n1 ZINC000305695647 387629497 /nfs/dbraw/zinc/62/94/97/387629497.db2.gz UJDCFKUQCPHWBT-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@H](C)C2)n1C ZINC000122964542 387622075 /nfs/dbraw/zinc/62/20/75/387622075.db2.gz ZZDCODPCMMMDMM-JQWIXIFHSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnc(N2CCCC2)nc1 ZINC000527238397 387546126 /nfs/dbraw/zinc/54/61/26/387546126.db2.gz BXDPDBQIWBGTEP-TXEJJXNPSA-N 0 1 246.358 2.060 20 0 BEADMN Cc1ccncc1C[N@H+](C)Cc1ccn(C)c1 ZINC000355607935 387556816 /nfs/dbraw/zinc/55/68/16/387556816.db2.gz OLVQQXLHOIDLKP-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1ccncc1CN(C)Cc1ccn(C)c1 ZINC000355607935 387556818 /nfs/dbraw/zinc/55/68/18/387556818.db2.gz OLVQQXLHOIDLKP-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN c1nnc(CNc2nc3ccccc3s2)[nH]1 ZINC000037920083 387568417 /nfs/dbraw/zinc/56/84/17/387568417.db2.gz ZTVBIKSVFPQTMG-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN COC(=O)c1occc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426463929 387571604 /nfs/dbraw/zinc/57/16/04/387571604.db2.gz ZLSPOYGVKYLERN-JQWIXIFHSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1occc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426463929 387571608 /nfs/dbraw/zinc/57/16/08/387571608.db2.gz ZLSPOYGVKYLERN-JQWIXIFHSA-N 0 1 249.310 2.441 20 0 BEADMN CC/C=C/CCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000375739907 387578125 /nfs/dbraw/zinc/57/81/25/387578125.db2.gz COASTXCSTYFCGF-JKWAOEONSA-N 0 1 239.359 2.223 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC000355805354 387579161 /nfs/dbraw/zinc/57/91/61/387579161.db2.gz OETWHCWDFCDRGC-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1occc1CN1[C@@H](C)CC[C@@H]1C ZINC000123092905 387644870 /nfs/dbraw/zinc/64/48/70/387644870.db2.gz FUXZPSXCWJTWSZ-UWVGGRQHSA-N 0 1 237.299 2.439 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@@H]2C)o1 ZINC000125218843 387646491 /nfs/dbraw/zinc/64/64/91/387646491.db2.gz CYDZJRHZARHUFY-ZJUUUORDSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3c[nH]nc32)ccn1 ZINC000527611910 387653016 /nfs/dbraw/zinc/65/30/16/387653016.db2.gz KFWRBUMGQFIGLE-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN C[C@@H](O)CCNCc1c(F)ccc(F)c1Cl ZINC000527675890 387655270 /nfs/dbraw/zinc/65/52/70/387655270.db2.gz RECBXYPHPBRDDZ-SSDOTTSWSA-N 0 1 249.688 2.479 20 0 BEADMN CC(C)c1ccc([C@@H]2CCCN2CC(N)=O)cc1 ZINC000125506417 387657769 /nfs/dbraw/zinc/65/77/69/387657769.db2.gz RPNKBYCHZDEOHO-AWEZNQCLSA-N 0 1 246.354 2.432 20 0 BEADMN C[C@@H](NCc1cocn1)[C@@H]1C[C@H]1C1CC1 ZINC000527657069 387662748 /nfs/dbraw/zinc/66/27/48/387662748.db2.gz NGGWXMVUNULSIY-ZHAHWJHGSA-N 0 1 206.289 2.199 20 0 BEADMN Cc1cc(CNc2cc3c(cn2)CCC3)ccn1 ZINC000527713384 387670594 /nfs/dbraw/zinc/67/05/94/387670594.db2.gz SFEKZDQWPIOCLI-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN Cc1ccncc1NC(=O)c1c(O)cccc1F ZINC000123282715 387672070 /nfs/dbraw/zinc/67/20/70/387672070.db2.gz RGNSOBNWAMARIT-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC[C@@H](F)CN(C)C[C@H]1CCCCO1 ZINC000440707012 387674193 /nfs/dbraw/zinc/67/41/93/387674193.db2.gz WDRIOCFKDZHPJV-GHMZBOCLSA-N 0 1 203.301 2.235 20 0 BEADMN CC[C@@H](CO)Nc1ccnc(C)c1Cl ZINC000306207875 387678383 /nfs/dbraw/zinc/67/83/83/387678383.db2.gz RESWSFNAMHERFG-QMMMGPOBSA-N 0 1 214.696 2.226 20 0 BEADMN CC[C@H](F)CN1CCc2ccccc2[C@@H]1CO ZINC000440767556 387685767 /nfs/dbraw/zinc/68/57/67/387685767.db2.gz SWPJBHCIBKIAGL-JSGCOSHPSA-N 0 1 237.318 2.326 20 0 BEADMN CC[C@@H](CO)NCc1c(F)ccc(F)c1Cl ZINC000527695036 387687154 /nfs/dbraw/zinc/68/71/54/387687154.db2.gz BRMXRZRRARHULX-ZETCQYMHSA-N 0 1 249.688 2.479 20 0 BEADMN CC[C@H](F)CN1CC[C@H](Oc2ccccn2)C1 ZINC000440771751 387690004 /nfs/dbraw/zinc/69/00/04/387690004.db2.gz SALCWYWANAXPOR-RYUDHWBXSA-N 0 1 238.306 2.283 20 0 BEADMN C[C@@H](O)CN(C)Cc1ccc(Cl)cc1F ZINC000163516021 387692996 /nfs/dbraw/zinc/69/29/96/387692996.db2.gz YQSTYFULVGJPPZ-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000521459024 387750676 /nfs/dbraw/zinc/75/06/76/387750676.db2.gz PZAYMWGBYMXXDH-GRYCIOLGSA-N 0 1 249.358 2.141 20 0 BEADMN O=C([O-])c1coc(C[NH2+]Cc2ccsc2)c1 ZINC000128694073 387753424 /nfs/dbraw/zinc/75/34/24/387753424.db2.gz BKHMFXPJYXQUKV-UHFFFAOYSA-N 0 1 237.280 2.329 20 0 BEADMN CC[C@@H](F)CN(C)CCOCC1CC1 ZINC000440786203 387699199 /nfs/dbraw/zinc/69/91/99/387699199.db2.gz YRZJEBCKQDYIQV-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN CC[C@@H](F)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000440793144 387702698 /nfs/dbraw/zinc/70/26/98/387702698.db2.gz OOTNGYSFHLKYPR-NXEZZACHSA-N 0 1 226.299 2.080 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCN1C)C(C)(C)C ZINC000356963414 387755117 /nfs/dbraw/zinc/75/51/17/387755117.db2.gz IDQBOKSEPAUPJE-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(C)o1 ZINC000527783801 387711948 /nfs/dbraw/zinc/71/19/48/387711948.db2.gz VJFVHUGZWIZJIJ-NEPJUHHUSA-N 0 1 209.289 2.245 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C(=O)N(C)C)cc1C ZINC000452047659 387714383 /nfs/dbraw/zinc/71/43/83/387714383.db2.gz ZFSMMGXUMIQZJC-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C(=O)N(C)C)cc1C ZINC000452047663 387714507 /nfs/dbraw/zinc/71/45/07/387714507.db2.gz ZFSMMGXUMIQZJC-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN CCn1ncc(CNCC[C@H]2CC=CCC2)n1 ZINC000527791866 387717967 /nfs/dbraw/zinc/71/79/67/387717967.db2.gz VVTUGNUEUSMGFF-LBPRGKRZSA-N 0 1 234.347 2.134 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000452060030 387719270 /nfs/dbraw/zinc/71/92/70/387719270.db2.gz LMSDXVAIZQNPPZ-GRYCIOLGSA-N 0 1 248.374 2.194 20 0 BEADMN COC[C@H]1CCCN(Cc2ncc(C)cn2)CC1 ZINC000452077882 387727188 /nfs/dbraw/zinc/72/71/88/387727188.db2.gz CVWFRQUPZRWAAH-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cs1 ZINC000527805648 387727811 /nfs/dbraw/zinc/72/78/11/387727811.db2.gz VIEBQYJZIVMALX-ARHDFHRDSA-N 0 1 240.372 2.353 20 0 BEADMN COC[C@@H]1CCCN(Cc2ncc(C)cn2)CC1 ZINC000452077881 387729603 /nfs/dbraw/zinc/72/96/03/387729603.db2.gz CVWFRQUPZRWAAH-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN CC(C)c1ncc(CN(CCO)C(C)C)s1 ZINC000128044192 387734744 /nfs/dbraw/zinc/73/47/44/387734744.db2.gz KWFQAYUYUDWSBP-UHFFFAOYSA-N 0 1 242.388 2.469 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356868941 387736633 /nfs/dbraw/zinc/73/66/33/387736633.db2.gz ZOJJNOLDPWRGTF-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN COC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115739641 387737750 /nfs/dbraw/zinc/73/77/50/387737750.db2.gz AQLYVEUUXJESMW-OBJOEFQTSA-N 0 1 247.338 2.426 20 0 BEADMN C[C@@H](CCC1CCCCC1)NC(=O)CN(C)C ZINC000115717333 387739343 /nfs/dbraw/zinc/73/93/43/387739343.db2.gz CANXOOJOSOOVJB-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCC1CCC1 ZINC000356893585 387742019 /nfs/dbraw/zinc/74/20/19/387742019.db2.gz XODOOXRWRWUFDO-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@H]1CCCN(Cc2nccc(C)n2)CC1 ZINC000452110179 387742050 /nfs/dbraw/zinc/74/20/50/387742050.db2.gz YGPTWPDCLCFVHX-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1cccc(C2CC2)c1 ZINC000452193501 387767674 /nfs/dbraw/zinc/76/76/74/387767674.db2.gz IYZQFUMCNHSMBJ-NSHDSACASA-N 0 1 246.354 2.303 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378258095 387774917 /nfs/dbraw/zinc/77/49/17/387774917.db2.gz CNMRPVIFWBZZST-SCZZXKLOSA-N 0 1 242.282 2.066 20 0 BEADMN CC(C)c1noc(CN2CC[C@@H](C3CC3)C2)n1 ZINC000378322904 387776705 /nfs/dbraw/zinc/77/67/05/387776705.db2.gz YALWBNIUUBAPCJ-LLVKDONJSA-N 0 1 235.331 2.425 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@@H]2C2CC2)s1 ZINC000378396621 387783976 /nfs/dbraw/zinc/78/39/76/387783976.db2.gz OZQOYTMTTVINPO-SNVBAGLBSA-N 0 1 223.345 2.221 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C2CC2)s1 ZINC000378396621 387783978 /nfs/dbraw/zinc/78/39/78/387783978.db2.gz OZQOYTMTTVINPO-SNVBAGLBSA-N 0 1 223.345 2.221 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H]2C2CC2)s1 ZINC000378396620 387784650 /nfs/dbraw/zinc/78/46/50/387784650.db2.gz OZQOYTMTTVINPO-JTQLQIEISA-N 0 1 223.345 2.221 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C2CC2)s1 ZINC000378396620 387784655 /nfs/dbraw/zinc/78/46/55/387784655.db2.gz OZQOYTMTTVINPO-JTQLQIEISA-N 0 1 223.345 2.221 20 0 BEADMN CCC[C@H]1CN(CCC[C@H]2CCOC2)CCO1 ZINC000645841600 387791810 /nfs/dbraw/zinc/79/18/10/387791810.db2.gz YEMFSRIWZNTRRH-KBPBESRZSA-N 0 1 241.375 2.304 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000378653818 387793499 /nfs/dbraw/zinc/79/34/99/387793499.db2.gz XHBGMXKFRAVLJZ-TZMCWYRMSA-N 0 1 247.338 2.346 20 0 BEADMN CCN(C)C(=O)CNCc1cccc(C2CC2)c1 ZINC000217352971 387795037 /nfs/dbraw/zinc/79/50/37/387795037.db2.gz GALBAUYOSDFKMO-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CCN(CC)C(=O)c1c(O)cccc1F ZINC000163604546 387797193 /nfs/dbraw/zinc/79/71/93/387797193.db2.gz LZPOONRGVUOWSM-UHFFFAOYSA-N 0 1 211.236 2.013 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccnn1C ZINC000528005449 387798585 /nfs/dbraw/zinc/79/85/85/387798585.db2.gz JAMUBIPMSRSJBA-RTXFEEFZSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@]1(c2nc(-c3ccncc3)no2)CCCCN1 ZINC000133834342 387801932 /nfs/dbraw/zinc/80/19/32/387801932.db2.gz MFIVVPXMBPEMQP-CYBMUJFWSA-N 0 1 244.298 2.120 20 0 BEADMN C[N@H+]1CCN(CC2=CCCC2)C(C)(C)C1 ZINC000645843340 387802606 /nfs/dbraw/zinc/80/26/06/387802606.db2.gz MCOTZPQVSMZLNK-UHFFFAOYSA-N 0 1 208.349 2.123 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)no1 ZINC000528005375 387808235 /nfs/dbraw/zinc/80/82/35/387808235.db2.gz IJWPUTBAUVPSQW-XGZQDADWSA-N 0 1 238.331 2.446 20 0 BEADMN CCC(C)(C)CCN1CCOC[C@@]12CCOC2 ZINC000441388151 387758219 /nfs/dbraw/zinc/75/82/19/387758219.db2.gz RMJQLWBHGHAZQN-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN c1nc(CN(CC2CC2)CC2CC2)co1 ZINC000432750029 387811753 /nfs/dbraw/zinc/81/17/53/387811753.db2.gz XBAUOQPRZJFPOM-UHFFFAOYSA-N 0 1 206.289 2.297 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@@H]2CCOC2)o1 ZINC000356978290 387760570 /nfs/dbraw/zinc/76/05/70/387760570.db2.gz DDXZHUGEGTYUGA-MNOVXSKESA-N 0 1 224.304 2.012 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC1(C)CCC1 ZINC000432815426 387827254 /nfs/dbraw/zinc/82/72/54/387827254.db2.gz GMUALACVWGVHBF-HFAKWTLXSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000432834799 387833136 /nfs/dbraw/zinc/83/31/36/387833136.db2.gz LBFBRMFHHMIBDT-JTQLQIEISA-N 0 1 236.363 2.334 20 0 BEADMN COCC[N@@H+](Cc1cocn1)[C@@H]1CC[C@@H](C)C1 ZINC000432926523 387840369 /nfs/dbraw/zinc/84/03/69/387840369.db2.gz GVFCFMVWDQLDOK-DGCLKSJQSA-N 0 1 238.331 2.312 20 0 BEADMN COCCN(Cc1cocn1)[C@@H]1CC[C@@H](C)C1 ZINC000432926523 387840372 /nfs/dbraw/zinc/84/03/72/387840372.db2.gz GVFCFMVWDQLDOK-DGCLKSJQSA-N 0 1 238.331 2.312 20 0 BEADMN CCCN(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442803369 387843837 /nfs/dbraw/zinc/84/38/37/387843837.db2.gz STVFSQCISSGNRT-UHFFFAOYSA-N 0 1 221.226 2.270 20 0 BEADMN CC1(CN2CCN(CC(F)F)CC2)CCC1 ZINC000432941158 387845801 /nfs/dbraw/zinc/84/58/01/387845801.db2.gz UJPXOJKLJUZTBK-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN CC[C@@]1(C)CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000442879336 387855269 /nfs/dbraw/zinc/85/52/69/387855269.db2.gz AQEOAKMYZNWFIV-OCCSQVGLSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000452555914 387857506 /nfs/dbraw/zinc/85/75/06/387857506.db2.gz ZZZXFWIFBWVUGV-OLZOCXBDSA-N 0 1 238.375 2.332 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@H]2O)o1 ZINC000393181153 387858539 /nfs/dbraw/zinc/85/85/39/387858539.db2.gz BULWAFREOGFNQZ-SASUGWTJSA-N 0 1 221.300 2.016 20 0 BEADMN CC[C@H](F)CN(C)C[C@@H](O)Cc1ccccc1 ZINC000433077836 387861980 /nfs/dbraw/zinc/86/19/80/387861980.db2.gz PUAMHOXQJLQZRE-KBPBESRZSA-N 0 1 239.334 2.270 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCC2CCOCC2)n1 ZINC000432779480 387817815 /nfs/dbraw/zinc/81/78/15/387817815.db2.gz KNHPYPJETVUNMS-ZDUSSCGKSA-N 0 1 249.358 2.363 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034736 387818135 /nfs/dbraw/zinc/81/81/35/387818135.db2.gz BIUQAFDNLZUIHG-LPEHRKFASA-N 0 1 226.295 2.295 20 0 BEADMN C[C@H](CF)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424181476 387895374 /nfs/dbraw/zinc/89/53/74/387895374.db2.gz RJRZXUYVXFSNKH-SSDOTTSWSA-N 0 1 247.216 2.456 20 0 BEADMN CCN(C)C(=O)[C@H](C)NCc1ccsc1C ZINC000293138152 387875105 /nfs/dbraw/zinc/87/51/05/387875105.db2.gz COFWJBVMVZIAIO-VIFPVBQESA-N 0 1 240.372 2.013 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@@H](C)C1CC1 ZINC000645744052 387884000 /nfs/dbraw/zinc/88/40/00/387884000.db2.gz FGYOBPDPRCCZRO-RISCZKNCSA-N 0 1 246.354 2.157 20 0 BEADMN COc1ccnc(CN[C@H](C)[C@@H]2CC2(C)C)n1 ZINC000424194778 387918091 /nfs/dbraw/zinc/91/80/91/387918091.db2.gz WXNJQPZKNPBCOM-ZJUUUORDSA-N 0 1 235.331 2.009 20 0 BEADMN COc1ccnc(CNC[C@@H]2CCCC[C@@H]2C)n1 ZINC000424194785 387918097 /nfs/dbraw/zinc/91/80/97/387918097.db2.gz WXPIJCRISSMPNI-RYUDHWBXSA-N 0 1 249.358 2.401 20 0 BEADMN CCC[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000195016251 387903450 /nfs/dbraw/zinc/90/34/50/387903450.db2.gz ALBMWHNGGBNKKY-LBPRGKRZSA-N 0 1 246.354 2.306 20 0 BEADMN CC(C)n1cncc1CN[C@H]1CCC[C@H]1F ZINC000424185393 387903436 /nfs/dbraw/zinc/90/34/36/387903436.db2.gz ZNYJAFOBAMCUHR-NEPJUHHUSA-N 0 1 225.311 2.444 20 0 BEADMN CCCN(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000195016251 387903454 /nfs/dbraw/zinc/90/34/54/387903454.db2.gz ALBMWHNGGBNKKY-LBPRGKRZSA-N 0 1 246.354 2.306 20 0 BEADMN CC(C)n1cncc1CN[C@@H]1CCC[C@@H]1F ZINC000424185394 387903579 /nfs/dbraw/zinc/90/35/79/387903579.db2.gz ZNYJAFOBAMCUHR-NWDGAFQWSA-N 0 1 225.311 2.444 20 0 BEADMN Cc1ccoc1CN[C@@H](C)c1cnccc1N ZINC000423137652 387914332 /nfs/dbraw/zinc/91/43/32/387914332.db2.gz WQSVPXLOVZDNGA-JTQLQIEISA-N 0 1 231.299 2.246 20 0 BEADMN Cc1ccoc1CN[C@H](C)c1cnccc1N ZINC000423137653 387914834 /nfs/dbraw/zinc/91/48/34/387914834.db2.gz WQSVPXLOVZDNGA-SNVBAGLBSA-N 0 1 231.299 2.246 20 0 BEADMN CC[C@H]1CN(C2CC(OC(C)C)C2)C[C@@H](C)O1 ZINC000459349021 387931546 /nfs/dbraw/zinc/93/15/46/387931546.db2.gz RKGXTYPOWDCJEX-ZIHBUVQPSA-N 0 1 241.375 2.442 20 0 BEADMN CCSCCN1CCc2ncsc2C1 ZINC000438377188 387932135 /nfs/dbraw/zinc/93/21/35/387932135.db2.gz QHPMGWDJXBHAJF-UHFFFAOYSA-N 0 1 228.386 2.254 20 0 BEADMN CCCCN(CCCC)C(=O)Cc1ccn[nH]1 ZINC000170242543 387932788 /nfs/dbraw/zinc/93/27/88/387932788.db2.gz LSEKAWSKVWMOGL-UHFFFAOYSA-N 0 1 237.347 2.381 20 0 BEADMN COC[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424196481 387922231 /nfs/dbraw/zinc/92/22/31/387922231.db2.gz MVPOULBPSPRRQJ-UHTWSYAYSA-N 0 1 223.291 2.248 20 0 BEADMN CC1=CCCN(Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459444272 387943379 /nfs/dbraw/zinc/94/33/79/387943379.db2.gz NNRWKEAVTXRFKA-UHFFFAOYSA-N 0 1 245.326 2.212 20 0 BEADMN CCN(CC(=O)N(C)[C@@H](C)C(C)(C)C)C1CC1 ZINC000533089561 387950802 /nfs/dbraw/zinc/95/08/02/387950802.db2.gz IPOKJQUXXZINGX-NSHDSACASA-N 0 1 240.391 2.364 20 0 BEADMN O=c1nc(-c2cc[nH]c2)[nH]c2ccsc21 ZINC000438870762 387960534 /nfs/dbraw/zinc/96/05/34/387960534.db2.gz NLEZYUJZEAMOFS-UHFFFAOYSA-N 0 1 217.253 2.392 20 0 BEADMN COc1cccc(CN2CC(C)C2)c1OC ZINC000438861511 387961107 /nfs/dbraw/zinc/96/11/07/387961107.db2.gz UPIRSCVDEDSEHY-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@H]1C[C@@H]1C ZINC000424310834 387962400 /nfs/dbraw/zinc/96/24/00/387962400.db2.gz TWOPDAVCNBWTDD-DCAQKATOSA-N 0 1 235.331 2.009 20 0 BEADMN O=C1NCCCC[C@@H]1N1CCC[C@H]1c1ccco1 ZINC000245598101 387963104 /nfs/dbraw/zinc/96/31/04/387963104.db2.gz IBIPPXBXKZGGEJ-RYUDHWBXSA-N 0 1 248.326 2.085 20 0 BEADMN O=C1NCCCC[C@@H]1N1CCC[C@@H]1c1ccco1 ZINC000245598100 387963274 /nfs/dbraw/zinc/96/32/74/387963274.db2.gz IBIPPXBXKZGGEJ-NEPJUHHUSA-N 0 1 248.326 2.085 20 0 BEADMN COc1ccnc(CN[C@H]2CCCC23CCC3)n1 ZINC000424309857 387963834 /nfs/dbraw/zinc/96/38/34/387963834.db2.gz RIWCOFPCZOWYJK-NSHDSACASA-N 0 1 247.342 2.298 20 0 BEADMN COC(=O)c1coc([C@@H](C)N[C@H]2CC23CC3)c1 ZINC000424315210 387966564 /nfs/dbraw/zinc/96/65/64/387966564.db2.gz DGDCHZKREQHCSL-KCJUWKMLSA-N 0 1 235.283 2.269 20 0 BEADMN CN(CC(=O)OC(C)(C)C)C(C1CC1)C1CC1 ZINC000065243384 387957694 /nfs/dbraw/zinc/95/76/94/387957694.db2.gz QYOYNPYCQAZVND-UHFFFAOYSA-N 0 1 239.359 2.449 20 0 BEADMN CCn1ccnc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000245917640 387992691 /nfs/dbraw/zinc/99/26/91/387992691.db2.gz NJSPWABUEBAHAY-RYUDHWBXSA-N 0 1 221.348 2.381 20 0 BEADMN CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccncn1 ZINC000453105768 387986122 /nfs/dbraw/zinc/98/61/22/387986122.db2.gz GDFVTWDGOZVMMA-OLZOCXBDSA-N 0 1 248.374 2.002 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453111758 387987067 /nfs/dbraw/zinc/98/70/67/387987067.db2.gz BPVMUBYGKKDJSJ-MROQNXINSA-N 0 1 249.358 2.436 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)[C@@H](C)[C@@H](C)O1 ZINC000446083674 387997575 /nfs/dbraw/zinc/99/75/75/387997575.db2.gz RVQNDROKOCRGHV-GRYCIOLGSA-N 0 1 229.364 2.299 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000245970949 387997785 /nfs/dbraw/zinc/99/77/85/387997785.db2.gz WKGGZARIDFEWSN-UTLUCORTSA-N 0 1 223.320 2.417 20 0 BEADMN CSCCCN(C)Cc1cnoc1C ZINC000439466906 388000732 /nfs/dbraw/zinc/00/07/32/388000732.db2.gz JDSQOFFXVGXNQZ-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN Cc1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000045894534 388000861 /nfs/dbraw/zinc/00/08/61/388000861.db2.gz XPOOYRZKONVJGJ-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)NCC1CCCCC1 ZINC000548098694 388001179 /nfs/dbraw/zinc/00/11/79/388001179.db2.gz XMIOLPSOHMGYPE-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000453181762 388003085 /nfs/dbraw/zinc/00/30/85/388003085.db2.gz QJLVBTMIYCTGFO-UHTWSYAYSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H]1CN(CCN(C)c2ccccc2)[C@@H](C)CO1 ZINC000246126536 388012323 /nfs/dbraw/zinc/01/23/23/388012323.db2.gz DRIGFCVQYNIHLH-UONOGXRCSA-N 0 1 248.370 2.232 20 0 BEADMN CN(Cc1cc(F)cc2c1OCOC2)C1CC1 ZINC000046602244 388032686 /nfs/dbraw/zinc/03/26/86/388032686.db2.gz OHTIOGYMWNRCDT-UHFFFAOYSA-N 0 1 237.274 2.286 20 0 BEADMN CCN(C(=O)CN(C)C1CC1)C1CCCCC1 ZINC000046602200 388033102 /nfs/dbraw/zinc/03/31/02/388033102.db2.gz WLIDZWNNXMEYFO-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000261527245 135151199 /nfs/dbraw/zinc/15/11/99/135151199.db2.gz CYWSAQJJTNZIHU-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@](C)(CN[C@H](C)c1cc(C)n(C)n1)OC ZINC000453297335 388038041 /nfs/dbraw/zinc/03/80/41/388038041.db2.gz ICNRARDRPRSALX-DGCLKSJQSA-N 0 1 239.363 2.194 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@](C)(CC)OC ZINC000453304832 388039442 /nfs/dbraw/zinc/03/94/42/388039442.db2.gz PSRLNWPFOVXUMV-WCQYABFASA-N 0 1 239.363 2.369 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000629369993 388041919 /nfs/dbraw/zinc/04/19/19/388041919.db2.gz GYUBXXJGCFRYMA-RYUDHWBXSA-N 0 1 247.338 2.196 20 0 BEADMN CN(Cc1ccccc1OC1CC1)[C@@H]1CCOC1 ZINC000450392145 388027138 /nfs/dbraw/zinc/02/71/38/388027138.db2.gz NXCXNXCGMWEBMZ-CYBMUJFWSA-N 0 1 247.338 2.449 20 0 BEADMN CCn1ccnc1CN1CC[C@H](C)[C@H]1C ZINC000246286474 388028261 /nfs/dbraw/zinc/02/82/61/388028261.db2.gz ADSFQFBZMBHZFJ-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN Cn1cc(CNCc2coc3ccccc23)cn1 ZINC000083601949 388056183 /nfs/dbraw/zinc/05/61/83/388056183.db2.gz PHVAIYYASFDLIO-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CCCc1ncc(CN[C@H](C)[C@@H]2CCCO2)o1 ZINC000453384828 388067491 /nfs/dbraw/zinc/06/74/91/388067491.db2.gz NFPOHMZJXMNRDQ-PWSUYJOCSA-N 0 1 238.331 2.284 20 0 BEADMN CCN(Cc1ncnn1CCF)[C@@H](C)C(C)C ZINC000440698956 388068952 /nfs/dbraw/zinc/06/89/52/388068952.db2.gz RDYSDAKGOBHDOQ-NSHDSACASA-N 0 1 242.342 2.114 20 0 BEADMN CCOC(=O)[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC000440699999 388069041 /nfs/dbraw/zinc/06/90/41/388069041.db2.gz VMZKZXUXQBDACJ-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN CCOC(=O)[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC000440700001 388069667 /nfs/dbraw/zinc/06/96/67/388069667.db2.gz VMZKZXUXQBDACJ-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc(C)c(C)o1)C(=O)NC ZINC000453422897 388080696 /nfs/dbraw/zinc/08/06/96/388080696.db2.gz XOPWEMNTDBTXOB-ONGXEEELSA-N 0 1 238.331 2.072 20 0 BEADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccnn1C ZINC000447610052 388082600 /nfs/dbraw/zinc/08/26/00/388082600.db2.gz ZZQYCKCUGPFLSQ-UWVGGRQHSA-N 0 1 248.305 2.366 20 0 BEADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccnn1C ZINC000447610054 388082611 /nfs/dbraw/zinc/08/26/11/388082611.db2.gz ZZQYCKCUGPFLSQ-VHSXEESVSA-N 0 1 248.305 2.366 20 0 BEADMN Cc1ccccc1C1(NCc2c[nH]cn2)CC1 ZINC000645980776 388115089 /nfs/dbraw/zinc/11/50/89/388115089.db2.gz JXGBPXYXYDMUBE-UHFFFAOYSA-N 0 1 227.311 2.497 20 0 BEADMN CC(C)n1ccc(CN[C@H](C)[C@@H]2CCCO2)n1 ZINC000085161057 388084301 /nfs/dbraw/zinc/08/43/01/388084301.db2.gz BJKNRLAPBIXCIR-YPMHNXCESA-N 0 1 237.347 2.121 20 0 BEADMN FC1(F)CC(CCNCc2cocn2)C1 ZINC000453585193 388087171 /nfs/dbraw/zinc/08/71/71/388087171.db2.gz RWHGFLWNOVXVOD-UHFFFAOYSA-N 0 1 216.231 2.200 20 0 BEADMN C=Cn1cc(CN2CCC(C(F)F)CC2)cn1 ZINC000447739638 388090431 /nfs/dbraw/zinc/09/04/31/388090431.db2.gz HXIQCMXOFSZQLL-UHFFFAOYSA-N 0 1 241.285 2.461 20 0 BEADMN Fc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000071396687 388092689 /nfs/dbraw/zinc/09/26/89/388092689.db2.gz ICUORSRUKFMPJM-SNVBAGLBSA-N 0 1 233.246 2.300 20 0 BEADMN CCC(C)(C)OCCNCc1n[nH]cc1C ZINC000453617794 388093157 /nfs/dbraw/zinc/09/31/57/388093157.db2.gz RHXNDEVJJRJIRC-UHFFFAOYSA-N 0 1 225.336 2.013 20 0 BEADMN CCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464808954 388104502 /nfs/dbraw/zinc/10/45/02/388104502.db2.gz ALEMHEDEBPXMBF-CHWSQXEVSA-N 0 1 239.359 2.450 20 0 BEADMN CCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464808956 388105056 /nfs/dbraw/zinc/10/50/56/388105056.db2.gz ALEMHEDEBPXMBF-QWHCGFSZSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1c[nH]nc1CNCc1cscc1C ZINC000336661555 388105670 /nfs/dbraw/zinc/10/56/70/388105670.db2.gz CCEAOITZXPGXHM-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CCc1ccccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000086726132 388107952 /nfs/dbraw/zinc/10/79/52/388107952.db2.gz FPDFOMXYPRIHMZ-ZDUSSCGKSA-N 0 1 233.311 2.298 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453328440 388048302 /nfs/dbraw/zinc/04/83/02/388048302.db2.gz PPQODSDIGQVHID-WHOHXGKFSA-N 0 1 235.331 2.046 20 0 BEADMN COCC[C@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000447025208 388048406 /nfs/dbraw/zinc/04/84/06/388048406.db2.gz BPJKWMSWOQMCFA-QMMMGPOBSA-N 0 1 241.360 2.340 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000449379153 388187602 /nfs/dbraw/zinc/18/76/02/388187602.db2.gz GYFWAZWSRYKGLX-GHMZBOCLSA-N 0 1 203.276 2.462 20 0 BEADMN COc1nccnc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000449241630 388161101 /nfs/dbraw/zinc/16/11/01/388161101.db2.gz UBZLNHSBFIKVAW-LBPRGKRZSA-N 0 1 247.342 2.273 20 0 BEADMN COc1nccnc1CN(C)C[C@H]1CC=CCC1 ZINC000449241630 388161103 /nfs/dbraw/zinc/16/11/03/388161103.db2.gz UBZLNHSBFIKVAW-LBPRGKRZSA-N 0 1 247.342 2.273 20 0 BEADMN C[C@@H](NCC(F)(F)CO)[C@@H]1CCCC[C@H]1C ZINC000449254499 388163789 /nfs/dbraw/zinc/16/37/89/388163789.db2.gz YIVMAZRXIYHULD-GMTAPVOTSA-N 0 1 235.318 2.418 20 0 BEADMN CCN(C)C(=O)CNCc1cccc2ccoc21 ZINC000449259708 388164183 /nfs/dbraw/zinc/16/41/83/388164183.db2.gz UYXHDDXNIRLRQX-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CCC1(NC(=O)Cc2cc(C)n[nH]2)CCCCC1 ZINC000456233291 388187864 /nfs/dbraw/zinc/18/78/64/388187864.db2.gz PJAXOPQJKNIOOZ-UHFFFAOYSA-N 0 1 249.358 2.490 20 0 BEADMN CCn1ccnc1C[N@@H+](C)C1CCCC1 ZINC000195514121 388165942 /nfs/dbraw/zinc/16/59/42/388165942.db2.gz TYKFJKXIJATIII-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CCn1ccnc1CN(C)C1CCCC1 ZINC000195514121 388165944 /nfs/dbraw/zinc/16/59/44/388165944.db2.gz TYKFJKXIJATIII-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN Cc1cccc(CN[C@H](CO)CC(F)F)c1F ZINC000449281110 388167495 /nfs/dbraw/zinc/16/74/95/388167495.db2.gz CHHDGHIJLQVNLU-JTQLQIEISA-N 0 1 247.260 2.240 20 0 BEADMN C[C@H]1C[C@@H]1CNCc1nc(-c2ccccc2)no1 ZINC000488568919 388188007 /nfs/dbraw/zinc/18/80/07/388188007.db2.gz BTKIPVBDXKBHLI-CMPLNLGQSA-N 0 1 243.310 2.482 20 0 BEADMN C[C@H]1CCC[C@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000646260689 388171739 /nfs/dbraw/zinc/17/17/39/388171739.db2.gz ZRTHBNPCXUZQTL-QWRGUYRKSA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@@H]1C[C@@H](C[N@@H+](C(C)C)C2COC2)CCO1 ZINC000449349411 388179021 /nfs/dbraw/zinc/17/90/21/388179021.db2.gz GOOCEWGJTCZSLP-GXTWGEPZSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[C@H](CNC(CF)CF)CCO1 ZINC000449380057 388188583 /nfs/dbraw/zinc/18/85/83/388188583.db2.gz LVOWMHXVTJUYCQ-MWLCHTKSSA-N 0 1 221.291 2.089 20 0 BEADMN CC[C@@H]1C[C@@H](CNC(CF)CF)CCO1 ZINC000449380055 388188612 /nfs/dbraw/zinc/18/86/12/388188612.db2.gz LVOWMHXVTJUYCQ-GXSJLCMTSA-N 0 1 221.291 2.089 20 0 BEADMN CC[C@@H](N[C@H](C)C1CCOCC1)C(F)F ZINC000449362557 388182220 /nfs/dbraw/zinc/18/22/20/388182220.db2.gz NGDSOXDZDKCPPS-PSASIEDQSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@H](NCC[C@@H]1CCOC1)C(F)F ZINC000449366670 388183642 /nfs/dbraw/zinc/18/36/42/388183642.db2.gz ZUJDIXKCUJMORW-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN CCC1(CC)CN(C[C@@H]2C[C@H]2C)CC[S@]1=O ZINC000488566395 388185961 /nfs/dbraw/zinc/18/59/61/388185961.db2.gz XFGQILAPCWQPAW-BFQNTYOBSA-N 0 1 243.416 2.266 20 0 BEADMN COCCN(C)Cc1ccc(C)cc1OC ZINC000449009496 388128585 /nfs/dbraw/zinc/12/85/85/388128585.db2.gz OBKDLXCUSORBKF-UHFFFAOYSA-N 0 1 223.316 2.082 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@H]1C[C@@H]1C)C1CC1 ZINC000488571910 388186183 /nfs/dbraw/zinc/18/61/83/388186183.db2.gz HGTULIGOEDPZFQ-GARJFASQSA-N 0 1 225.332 2.058 20 0 BEADMN CCn1nnc(C)c1CN(C)CC(C)(C)C ZINC000449013034 388129580 /nfs/dbraw/zinc/12/95/80/388129580.db2.gz AMLLVZMINWCOAN-UHFFFAOYSA-N 0 1 224.352 2.084 20 0 BEADMN CCCCN(CCOC)Cc1ccncc1F ZINC000449025529 388131219 /nfs/dbraw/zinc/13/12/19/388131219.db2.gz HBYWQMYAECMDDS-UHFFFAOYSA-N 0 1 240.322 2.469 20 0 BEADMN COc1nccc(CN2CCC(C)(C)CC2)n1 ZINC000449023179 388131786 /nfs/dbraw/zinc/13/17/86/388131786.db2.gz OEPQQYDEGXEZQW-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COC[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000449024702 388131907 /nfs/dbraw/zinc/13/19/07/388131907.db2.gz DBEDWMZKNYPZRM-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN COc1cc(F)cc(CN(C)[C@@H]2CCOC2)c1 ZINC000449024202 388132080 /nfs/dbraw/zinc/13/20/80/388132080.db2.gz YYIMYVWOMOXWHO-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN CO[C@H](C)CN(Cc1ccncc1F)C(C)C ZINC000449029434 388132381 /nfs/dbraw/zinc/13/23/81/388132381.db2.gz OTUSISGRYHZRJI-LLVKDONJSA-N 0 1 240.322 2.466 20 0 BEADMN CO[C@@H](C)CN(Cc1ccncc1F)C(C)C ZINC000449029435 388133450 /nfs/dbraw/zinc/13/34/50/388133450.db2.gz OTUSISGRYHZRJI-NSHDSACASA-N 0 1 240.322 2.466 20 0 BEADMN COC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449036237 388133950 /nfs/dbraw/zinc/13/39/50/388133950.db2.gz SDGMVZYKHAXTEC-CYBMUJFWSA-N 0 1 249.354 2.472 20 0 BEADMN C[C@H](CNC(CF)CF)CC1CCOCC1 ZINC000449377731 388186818 /nfs/dbraw/zinc/18/68/18/388186818.db2.gz BOEGVXPVUSRLHP-JTQLQIEISA-N 0 1 235.318 2.336 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H](C)CC1CC1 ZINC000449124051 388145066 /nfs/dbraw/zinc/14/50/66/388145066.db2.gz PLDGQDJACOIXNS-FZMZJTMJSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000449122162 388145724 /nfs/dbraw/zinc/14/57/24/388145724.db2.gz KJLLFFXRSGCHPG-AAEUAGOBSA-N 0 1 246.354 2.157 20 0 BEADMN CC(C)COCCN1C[C@H](C)OC2(CCC2)C1 ZINC000646116444 388145804 /nfs/dbraw/zinc/14/58/04/388145804.db2.gz VSCWMRHKAOYOMO-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H](NCc1c[nH]nn1)c1csc(C)c1 ZINC000646126877 388148258 /nfs/dbraw/zinc/14/82/58/388148258.db2.gz GEVFSXTYPPSQEY-LLVKDONJSA-N 0 1 236.344 2.416 20 0 BEADMN Nc1ccnc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646138280 388153612 /nfs/dbraw/zinc/15/36/12/388153612.db2.gz AFOJZWRRZLOCQW-LBPRGKRZSA-N 0 1 246.358 2.044 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646138839 388153615 /nfs/dbraw/zinc/15/36/15/388153615.db2.gz XBSLTANSBWTLAR-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN NCC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000490755939 388252647 /nfs/dbraw/zinc/25/26/47/388252647.db2.gz GRKADYKMKLZZCK-UHFFFAOYSA-N 0 1 248.326 2.295 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2cccnc2)n[nH]1 ZINC000065288495 388255684 /nfs/dbraw/zinc/25/56/84/388255684.db2.gz MBFWEDYPTWGKCU-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN CC(C)c1nnc(CN[C@@H](C)Cc2ccoc2)[nH]1 ZINC000449405967 388196296 /nfs/dbraw/zinc/19/62/96/388196296.db2.gz QFYLBSLSENGSDI-JTQLQIEISA-N 0 1 248.330 2.242 20 0 BEADMN CS[C@@H](CO)[C@H](C)NCc1ccc(Cl)o1 ZINC000164278149 388197709 /nfs/dbraw/zinc/19/77/09/388197709.db2.gz AVNBUNQUFSXHEW-CBAPKCEASA-N 0 1 249.763 2.135 20 0 BEADMN CCOC(=O)c1coc(CN2CC[C@H]2C2CC2)c1 ZINC000449427033 388201883 /nfs/dbraw/zinc/20/18/83/388201883.db2.gz MTHDNLUBVWZSEZ-ZDUSSCGKSA-N 0 1 249.310 2.441 20 0 BEADMN CN(C)c1ncc(CN2CC[C@@H]2C2CC2)s1 ZINC000449430457 388204037 /nfs/dbraw/zinc/20/40/37/388204037.db2.gz ZXDRESJGROGXSA-LLVKDONJSA-N 0 1 237.372 2.193 20 0 BEADMN CC[C@@H](N[C@@H](C)c1nccs1)[C@@H](O)CC ZINC000313165426 256542725 /nfs/dbraw/zinc/54/27/25/256542725.db2.gz SNBXTSWSKMRBFC-AEJSXWLSSA-N 0 1 228.361 2.343 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456524778 388205862 /nfs/dbraw/zinc/20/58/62/388205862.db2.gz GQQQIVROXRTKKX-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN FCC1(NCc2ccc(F)cc2)CCOCC1 ZINC000449446314 388208827 /nfs/dbraw/zinc/20/88/27/388208827.db2.gz QNDUDDNXBKSEQT-UHFFFAOYSA-N 0 1 241.281 2.434 20 0 BEADMN Oc1cccc(CNC2(CF)CCOCC2)c1 ZINC000449447181 388208883 /nfs/dbraw/zinc/20/88/83/388208883.db2.gz XVKWBMSBRUKSGJ-UHFFFAOYSA-N 0 1 239.290 2.001 20 0 BEADMN CN(CC(=O)NC1CCCCC1)[C@H]1CC1(C)C ZINC000489417136 388212364 /nfs/dbraw/zinc/21/23/64/388212364.db2.gz WAAWUEHAHAUCAH-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CCCCN1C(=O)CN(C)[C@@H]1CC1(C)C ZINC000489507883 388219317 /nfs/dbraw/zinc/21/93/17/388219317.db2.gz DQKGTTYYVCDCTJ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(C)n2)CC1(C)C ZINC000449501542 388219480 /nfs/dbraw/zinc/21/94/80/388219480.db2.gz PVQSMZPUUHOYLL-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@@H](CN1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000449520535 388223411 /nfs/dbraw/zinc/22/34/11/388223411.db2.gz FGZONADQSVZBNX-OLZOCXBDSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1cnc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000449536408 388226095 /nfs/dbraw/zinc/22/60/95/388226095.db2.gz IMDHYSDWUQXLOR-HIFRSBDPSA-N 0 1 245.370 2.349 20 0 BEADMN CO[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000489862224 388226105 /nfs/dbraw/zinc/22/61/05/388226105.db2.gz GCIJPFMJBWNBQT-LLVKDONJSA-N 0 1 241.281 2.228 20 0 BEADMN C[N@@H+](CC(=O)NC(C)(C)C)C1(C)CCCC1 ZINC000489860977 388226149 /nfs/dbraw/zinc/22/61/49/388226149.db2.gz ODUOTIDLSQWKPN-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1CNC(=O)CN(C)C ZINC000456840464 388226306 /nfs/dbraw/zinc/22/63/06/388226306.db2.gz PRWWLZWNQJSGTJ-OLZOCXBDSA-N 0 1 240.391 2.271 20 0 BEADMN c1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)n[nH]1 ZINC000449539949 388227463 /nfs/dbraw/zinc/22/74/63/388227463.db2.gz MDPHXQYOOJKKAL-CHWSQXEVSA-N 0 1 217.316 2.030 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000449566663 388234557 /nfs/dbraw/zinc/23/45/57/388234557.db2.gz QCUGLACECVLIEZ-NNYUYHANSA-N 0 1 237.347 2.120 20 0 BEADMN CCN(CC(=O)N(C)C1(C)CCCC1)C1CC1 ZINC000490648026 388245095 /nfs/dbraw/zinc/24/50/95/388245095.db2.gz UHLZAVIFJJBVFS-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2)C12CCC2 ZINC000449630786 388246295 /nfs/dbraw/zinc/24/62/95/388246295.db2.gz JCFPVLDNHVPLDZ-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CCCCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000451756103 388294083 /nfs/dbraw/zinc/29/40/83/388294083.db2.gz LRROLUDUHAVMJP-OAHLLOKOSA-N 0 1 231.405 2.410 20 0 BEADMN C/C=C(/C=C/C(=O)NCCN1CC=CCC1)CC ZINC000491968930 388330063 /nfs/dbraw/zinc/33/00/63/388330063.db2.gz YYPDAMDKSBAZKI-HNLUUKSTSA-N 0 1 248.370 2.277 20 0 BEADMN Cc1nnc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000451356115 388264164 /nfs/dbraw/zinc/26/41/64/388264164.db2.gz DNBSYDFZCLTAQI-CZXHOFHRSA-N 0 1 245.326 2.022 20 0 BEADMN CCn1c(C)nnc1CN[C@H]1CCC12CCCC2 ZINC000451455486 388274497 /nfs/dbraw/zinc/27/44/97/388274497.db2.gz JVTWSSPMICZWBD-LBPRGKRZSA-N 0 1 248.374 2.419 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C)no2)C[C@@H]1C ZINC000451529718 388279741 /nfs/dbraw/zinc/27/97/41/388279741.db2.gz RPYCTQMLMLMBLI-GWCFXTLKSA-N 0 1 238.331 2.230 20 0 BEADMN CC=C(C=CC(=O)Nc1n[nH]c(CC)n1)CC ZINC000492381771 388343074 /nfs/dbraw/zinc/34/30/74/388343074.db2.gz UTVYDUVAIZOSNB-UQZXCRFKSA-N 0 1 234.303 2.218 20 0 BEADMN CC=C(C=CC(=O)Nc1nc(CC)n[nH]1)CC ZINC000492381771 388343075 /nfs/dbraw/zinc/34/30/75/388343075.db2.gz UTVYDUVAIZOSNB-UQZXCRFKSA-N 0 1 234.303 2.218 20 0 BEADMN c1c(CNC[C@H]2CCC=CO2)nc2ccccn12 ZINC000275825627 388345921 /nfs/dbraw/zinc/34/59/21/388345921.db2.gz NORAGQRBHACUMV-CYBMUJFWSA-N 0 1 243.310 2.117 20 0 BEADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H](C)CO ZINC000293652814 388355755 /nfs/dbraw/zinc/35/57/55/388355755.db2.gz SPUSQFJEUSFGGL-RKDXNWHRSA-N 0 1 243.734 2.152 20 0 BEADMN CCn1cc(CN(C)CC=C(C)C)cn1 ZINC000524357006 388356677 /nfs/dbraw/zinc/35/66/77/388356677.db2.gz CDPGNQNYFDACJT-UHFFFAOYSA-N 0 1 207.321 2.301 20 0 BEADMN COc1ccc(O)c(CN=Nc2ccccn2)c1 ZINC000254758782 388359438 /nfs/dbraw/zinc/35/94/38/388359438.db2.gz RLGKTXSVMLLUMB-UHFFFAOYSA-N 0 1 243.266 2.242 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cc(C)on1)C1CC1 ZINC000293691878 388359603 /nfs/dbraw/zinc/35/96/03/388359603.db2.gz LGWRVCDNZWFWLT-CABZTGNLSA-N 0 1 224.304 2.059 20 0 BEADMN CC(C)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646465631 388362345 /nfs/dbraw/zinc/36/23/45/388362345.db2.gz NZCDBVSDJJVSNX-UHFFFAOYSA-N 0 1 245.282 2.377 20 0 BEADMN CCC(C)(C)OCCNCc1ccc(CO)o1 ZINC000308546561 388362410 /nfs/dbraw/zinc/36/24/10/388362410.db2.gz OVFCVGYCJNXNRX-UHFFFAOYSA-N 0 1 241.331 2.067 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C ZINC000524517187 388364128 /nfs/dbraw/zinc/36/41/28/388364128.db2.gz LOJKZZQGEGJZER-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@]1(CNCc2ccon2)CCCS1 ZINC000327671768 388381570 /nfs/dbraw/zinc/38/15/70/388381570.db2.gz ZTHUZXLWAOQZQD-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000572889314 388384687 /nfs/dbraw/zinc/38/46/87/388384687.db2.gz JDKDAJNHWYVTOZ-LBPRGKRZSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000572889313 388384977 /nfs/dbraw/zinc/38/49/77/388384977.db2.gz JDKDAJNHWYVTOZ-GFCCVEGCSA-N 0 1 245.363 2.233 20 0 BEADMN C[C@H](CN[C@@H]1CCn2ccnc21)c1nccs1 ZINC000294232947 388396553 /nfs/dbraw/zinc/39/65/53/388396553.db2.gz VOSGMUMZTBBSDF-NXEZZACHSA-N 0 1 248.355 2.178 20 0 BEADMN Cn1cncc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000237943153 388398992 /nfs/dbraw/zinc/39/89/92/388398992.db2.gz HSRALPQZFMFGOM-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cc(C(C)=O)no1 ZINC000572981798 388402599 /nfs/dbraw/zinc/40/25/99/388402599.db2.gz BQLVYNJAUBIHGS-SECBINFHSA-N 0 1 224.304 2.355 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000165506777 388403226 /nfs/dbraw/zinc/40/32/26/388403226.db2.gz IUIGJNIPTAAOAC-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN O=C(/C=C/C1CCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000492066711 388333518 /nfs/dbraw/zinc/33/35/18/388333518.db2.gz GVYAGRCDOMIYGH-NPQIQWPPSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(/C=C/C1CCC1)N1CCN2CCCC[C@H]2C1 ZINC000492066711 388333519 /nfs/dbraw/zinc/33/35/19/388333519.db2.gz GVYAGRCDOMIYGH-NPQIQWPPSA-N 0 1 248.370 2.039 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCN(CC)CC1)CC ZINC000492114061 388335551 /nfs/dbraw/zinc/33/55/51/388335551.db2.gz QGHAQCDNBLRXBH-MUMAOQJLSA-N 0 1 236.359 2.063 20 0 BEADMN C/C=C/C=C\C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000492263153 388339771 /nfs/dbraw/zinc/33/97/71/388339771.db2.gz ROTPXDRZCQUQJX-IAQBQRTFSA-N 0 1 236.359 2.060 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1nccn1C ZINC000308543708 388442943 /nfs/dbraw/zinc/44/29/43/388442943.db2.gz MNWIEHWPKBPSQF-NSHDSACASA-N 0 1 239.363 2.276 20 0 BEADMN CCC[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528365190 388450387 /nfs/dbraw/zinc/45/03/87/388450387.db2.gz PLEHUUSZIQMTOK-UHFFFAOYSA-N 0 1 211.280 2.160 20 0 BEADMN Cc1cc(CNCCCc2ccc(C)nc2)no1 ZINC000525987774 388452257 /nfs/dbraw/zinc/45/22/57/388452257.db2.gz AFMNCTZCDHXYBH-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cccc2c1OCO2 ZINC000525997425 388453004 /nfs/dbraw/zinc/45/30/04/388453004.db2.gz RENHBFKKLNSJHW-UWVGGRQHSA-N 0 1 219.284 2.398 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000515305610 256740873 /nfs/dbraw/zinc/74/08/73/256740873.db2.gz BYMCEZRBEZHKPK-LOWVWBTDSA-N 0 1 225.332 2.362 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCC[C@H]1C1CCC1 ZINC000649197838 388455270 /nfs/dbraw/zinc/45/52/70/388455270.db2.gz WCAIGQURWFTWDW-LBPRGKRZSA-N 0 1 233.315 2.205 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1cc(F)cc(F)c1 ZINC000336093555 388456708 /nfs/dbraw/zinc/45/67/08/388456708.db2.gz JSYDBAXAWNFRSC-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN COC1(C(=O)Nc2cccc(Cl)c2O)CC1 ZINC000648841691 388458386 /nfs/dbraw/zinc/45/83/86/388458386.db2.gz IIPMIBUYKSJRIU-UHFFFAOYSA-N 0 1 241.674 2.163 20 0 BEADMN C[C@H](N[C@H]1CCCC(C)(C)C1)c1ncn(C)n1 ZINC000336626447 388458600 /nfs/dbraw/zinc/45/86/00/388458600.db2.gz AYLTVFOXQYBPJB-QWRGUYRKSA-N 0 1 236.363 2.435 20 0 BEADMN CCN1CCN(C(=O)CCCC(C)C)C[C@H]1C ZINC000649226003 388462683 /nfs/dbraw/zinc/46/26/83/388462683.db2.gz GFGNUQBIZYCFFF-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN c1nc(CNCC[C@@H]2CCCCO2)cs1 ZINC000134672805 388478533 /nfs/dbraw/zinc/47/85/33/388478533.db2.gz FSODALCDKKHULF-NSHDSACASA-N 0 1 226.345 2.192 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CCN(C)CC1 ZINC000194110926 388478503 /nfs/dbraw/zinc/47/85/03/388478503.db2.gz LWFSCQUNFNHMRH-JTQLQIEISA-N 0 1 240.297 2.273 20 0 BEADMN CC(C)(CO)C[NH2+]Cc1cccc([O-])c1Cl ZINC000328309464 388410459 /nfs/dbraw/zinc/41/04/59/388410459.db2.gz FTVIAAMSAXQYPO-UHFFFAOYSA-N 0 1 243.734 2.154 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000172780768 388410976 /nfs/dbraw/zinc/41/09/76/388410976.db2.gz VINLJNQRIXKQOK-MNOVXSKESA-N 0 1 249.358 2.378 20 0 BEADMN CCC(CC)[C@@H](O)CNCc1ncc(C)s1 ZINC000295790112 388414089 /nfs/dbraw/zinc/41/40/89/388414089.db2.gz RZYJNFGSXQGTGR-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN COCc1ccc(CN[C@H](C)CF)cc1 ZINC000288411084 388419124 /nfs/dbraw/zinc/41/91/24/388419124.db2.gz IWJQCKJGRNGERM-SNVBAGLBSA-N 0 1 211.280 2.281 20 0 BEADMN C[C@H](N[C@@H]1CCOC1(C)C)c1nccs1 ZINC000296364067 388422682 /nfs/dbraw/zinc/42/26/82/388422682.db2.gz IXEULYKIZRRDTC-DTWKUNHWSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1nc(CN2CCC[C@@H](O)[C@H]2C)sc1C ZINC000296451169 388423912 /nfs/dbraw/zinc/42/39/12/388423912.db2.gz WZQDCHRLHHOICJ-MWLCHTKSSA-N 0 1 240.372 2.105 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1(C)C)c1cscn1 ZINC000296488359 388423967 /nfs/dbraw/zinc/42/39/67/388423967.db2.gz ONUIJQUUJLYPTE-PSASIEDQSA-N 0 1 226.345 2.361 20 0 BEADMN CCOC(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000307817283 388428034 /nfs/dbraw/zinc/42/80/34/388428034.db2.gz MXLQGMORIOUGTJ-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000308089849 388431465 /nfs/dbraw/zinc/43/14/65/388431465.db2.gz PFRSYBROJUXDSX-NXEZZACHSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1nc(CNCCOc2ccccc2)[nH]c1C ZINC000514874098 256723979 /nfs/dbraw/zinc/72/39/79/256723979.db2.gz ZIQQOWWIQAWVOR-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CCOC2(C)C)n1 ZINC000336892185 388436862 /nfs/dbraw/zinc/43/68/62/388436862.db2.gz JJHOCPNVALWUEU-LBPRGKRZSA-N 0 1 237.347 2.121 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2cc(C)on2)C12CCC2 ZINC000308400382 388437874 /nfs/dbraw/zinc/43/78/74/388437874.db2.gz WBYKJMFLVPFKSL-VXGBXAGGSA-N 0 1 236.315 2.030 20 0 BEADMN C/C(Cl)=C\C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000528523902 388542308 /nfs/dbraw/zinc/54/23/08/388542308.db2.gz JPGNABQIWVDZHV-PGSFJSJDSA-N 0 1 229.751 2.222 20 0 BEADMN C[C@@H](O)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000649287193 388543145 /nfs/dbraw/zinc/54/31/45/388543145.db2.gz MBTKNCVXDWKZSA-UKRRQHHQSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ncccc1Cl ZINC000528551663 388546100 /nfs/dbraw/zinc/54/61/00/388546100.db2.gz IWLKOPYYYCKUOU-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN Cn1cncc1CNCc1coc2ccccc12 ZINC000339408153 388482224 /nfs/dbraw/zinc/48/22/24/388482224.db2.gz UPTMXTNUSKNIRC-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN C[C@@H](NCCOC(F)(F)F)c1nccs1 ZINC000084178061 135190310 /nfs/dbraw/zinc/19/03/10/135190310.db2.gz FOLBEANBSQXJBE-ZCFIWIBFSA-N 0 1 240.250 2.330 20 0 BEADMN CC(C)C1(NCc2cn(C(C)(C)C)nn2)CC1 ZINC000339504355 388483922 /nfs/dbraw/zinc/48/39/22/388483922.db2.gz IJYQYCKTEJSLFP-UHFFFAOYSA-N 0 1 236.363 2.311 20 0 BEADMN CN(C)c1ncc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000339588505 388486674 /nfs/dbraw/zinc/48/66/74/388486674.db2.gz ZTJHTPIURJPDNP-VHSXEESVSA-N 0 1 243.351 2.189 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1cccc2cc[nH]c21 ZINC000547817170 388488006 /nfs/dbraw/zinc/48/80/06/388488006.db2.gz KCWUMZURWSBIEY-GFCCVEGCSA-N 0 1 243.310 2.201 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CCC1CC1 ZINC000135278018 388489112 /nfs/dbraw/zinc/48/91/12/388489112.db2.gz KFLCTVAPXYNMHA-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN1CCC[C@@H]1CCC(C)C ZINC000135302751 388490641 /nfs/dbraw/zinc/49/06/41/388490641.db2.gz FFOYYZBSSNCHGI-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)OCC ZINC000135324737 388491696 /nfs/dbraw/zinc/49/16/96/388491696.db2.gz BPKQQUVAUJMXGC-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](NCC(F)(F)CO)[C@H]1CC1(C)C ZINC000397771708 388498037 /nfs/dbraw/zinc/49/80/37/388498037.db2.gz VAMNKYFOYDIQPL-BDAKNGLRSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCOC2(C)C)c2nccn21 ZINC000345346190 388512185 /nfs/dbraw/zinc/51/21/85/388512185.db2.gz CRQNCFNYNLDJBN-MXWKQRLJSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000345350774 388512884 /nfs/dbraw/zinc/51/28/84/388512884.db2.gz OLODJOAMVFOREG-NNYUYHANSA-N 0 1 235.331 2.046 20 0 BEADMN CC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000078873442 388515820 /nfs/dbraw/zinc/51/58/20/388515820.db2.gz GINMTEBJTDUHJO-JTQLQIEISA-N 0 1 241.356 2.103 20 0 BEADMN CCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000078873442 388515823 /nfs/dbraw/zinc/51/58/23/388515823.db2.gz GINMTEBJTDUHJO-JTQLQIEISA-N 0 1 241.356 2.103 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCOC2)oc1C ZINC000348140597 388525784 /nfs/dbraw/zinc/52/57/84/388525784.db2.gz KZINLYAGDZDULX-JQWIXIFHSA-N 0 1 238.331 2.196 20 0 BEADMN C/C(Cl)=C\CN1CCc2cc[nH]c(=O)c2C1 ZINC000528471429 388530879 /nfs/dbraw/zinc/53/08/79/388530879.db2.gz AQADPXLPNUDAKG-YCRREMRBSA-N 0 1 238.718 2.288 20 0 BEADMN c1c(CN2CCC[C@@H]2C2CC2)nnn1CC1CC1 ZINC000649284262 388532876 /nfs/dbraw/zinc/53/28/76/388532876.db2.gz DIZPWVFCUDRFOO-CQSZACIVSA-N 0 1 246.358 2.063 20 0 BEADMN C[C@H](c1cccc(F)c1)N1CCN(C)CC1 ZINC000079482488 388535079 /nfs/dbraw/zinc/53/50/79/388535079.db2.gz BDCJEOQJFVBIKY-LLVKDONJSA-N 0 1 222.307 2.134 20 0 BEADMN CCCN(CCC)C(=O)CN1[C@H](C)C[C@@H]1C ZINC000548426337 388536886 /nfs/dbraw/zinc/53/68/86/388536886.db2.gz SRFHUXQELBZZSL-TXEJJXNPSA-N 0 1 226.364 2.118 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000082791327 388587969 /nfs/dbraw/zinc/58/79/69/388587969.db2.gz YGFVZWGVKUKAKX-QMMMGPOBSA-N 0 1 239.702 2.171 20 0 BEADMN COC(=O)c1cc(CN2C[C@@H](C)[C@H]2C)c(C)o1 ZINC000549921751 388594990 /nfs/dbraw/zinc/59/49/90/388594990.db2.gz NZULTSYIPGNOFW-RKDXNWHRSA-N 0 1 237.299 2.215 20 0 BEADMN CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530030935 388605537 /nfs/dbraw/zinc/60/55/37/388605537.db2.gz YPGJCTNRYYVVBJ-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN(C)C ZINC000550456811 388608829 /nfs/dbraw/zinc/60/88/29/388608829.db2.gz GGWUSHGISIYMQU-UPJWGTAASA-N 0 1 240.391 2.125 20 0 BEADMN CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000245930335 388610312 /nfs/dbraw/zinc/61/03/12/388610312.db2.gz QIXLTWLUTJECID-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1noc(C23CC(C2)CN3CCC2CC2)n1 ZINC000528623623 388552545 /nfs/dbraw/zinc/55/25/45/388552545.db2.gz QJDFFJIXLBEXGA-UHFFFAOYSA-N 0 1 233.315 2.099 20 0 BEADMN c1ncc(CN[C@H](c2ccccn2)C2CCC2)[nH]1 ZINC000528656762 388555830 /nfs/dbraw/zinc/55/58/30/388555830.db2.gz HHPWRSSPVYBUKT-AWEZNQCLSA-N 0 1 242.326 2.436 20 0 BEADMN C[C@H]1C[C@H](C)N1CCOCC(F)(F)F ZINC000548754013 388556838 /nfs/dbraw/zinc/55/68/38/388556838.db2.gz GANLEIFCUYFYGU-YUMQZZPRSA-N 0 1 211.227 2.048 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N1[C@H](C)C[C@@H]1C ZINC000548754146 388556954 /nfs/dbraw/zinc/55/69/54/388556954.db2.gz DIQKAXGEAQWYCI-FRRDWIJNSA-N 0 1 238.375 2.260 20 0 BEADMN CCCCCNC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000548754359 388557846 /nfs/dbraw/zinc/55/78/46/388557846.db2.gz ZWNOHQKKWXFCNN-GRYCIOLGSA-N 0 1 226.364 2.164 20 0 BEADMN Cc1nc2c(n1CC1(O)CCCC1)CCCC2 ZINC000216890117 388568983 /nfs/dbraw/zinc/56/89/83/388568983.db2.gz VOZFCYBNIJGGCK-UHFFFAOYSA-N 0 1 234.343 2.375 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NC(=O)CN(C)C)CC1 ZINC000184059534 388574114 /nfs/dbraw/zinc/57/41/14/388574114.db2.gz KDSGATQHVYYSOW-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NCC1(O)CCCC1)c1ncccc1F ZINC000528826933 388576702 /nfs/dbraw/zinc/57/67/02/388576702.db2.gz JABHFNCCRKGVKA-JTQLQIEISA-N 0 1 238.306 2.176 20 0 BEADMN CCCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184720887 388582189 /nfs/dbraw/zinc/58/21/89/388582189.db2.gz ADZSTOCMHXKUBE-UHFFFAOYSA-N 0 1 244.298 2.002 20 0 BEADMN CC[C@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184712564 388582238 /nfs/dbraw/zinc/58/22/38/388582238.db2.gz WXSLKBFEIGSGIG-VIFPVBQESA-N 0 1 244.298 2.000 20 0 BEADMN CCCN1CC[S@](=O)C(CC)(CC)C1 ZINC000185280615 388585527 /nfs/dbraw/zinc/58/55/27/388585527.db2.gz PYVRNKORCGPRLR-AWEZNQCLSA-N 0 1 217.378 2.020 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(C)nc1 ZINC000124881124 388667279 /nfs/dbraw/zinc/66/72/79/388667279.db2.gz IIRPOXBSGZXCPN-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCO[C@@H](C)C1 ZINC000552119983 388670157 /nfs/dbraw/zinc/67/01/57/388670157.db2.gz LKBXAYIUIBLUGT-MNOVXSKESA-N 0 1 225.357 2.400 20 0 BEADMN C[C@H]1CCSCC[N@H+]1Cc1cccn1C ZINC000191817610 388670991 /nfs/dbraw/zinc/67/09/91/388670991.db2.gz ACMUNBDUNYPETI-NSHDSACASA-N 0 1 224.373 2.353 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@H](CC)C2)n1 ZINC000125659297 388674823 /nfs/dbraw/zinc/67/48/23/388674823.db2.gz WRTQJZIUEPGOKA-UWVGGRQHSA-N 0 1 223.320 2.425 20 0 BEADMN O=C(CCCF)Nc1cccc(-c2cn[nH]n2)c1 ZINC000621950305 388686528 /nfs/dbraw/zinc/68/65/28/388686528.db2.gz OBLPAQHPOMYNDI-UHFFFAOYSA-N 0 1 248.261 2.160 20 0 BEADMN C[C@H]1C[C@H](Nc2ccncc2C(N)=O)C[C@@H](C)C1 ZINC000248402713 388678828 /nfs/dbraw/zinc/67/88/28/388678828.db2.gz WBVUMYSHHFAVBX-URLYPYJESA-N 0 1 247.342 2.417 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000125915090 388682165 /nfs/dbraw/zinc/68/21/65/388682165.db2.gz MIHJAFFIDXCMLC-UHFFFAOYSA-N 0 1 242.269 2.244 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@H]2CC(=O)[O-])C1 ZINC000530167571 388618694 /nfs/dbraw/zinc/61/86/94/388618694.db2.gz ZWCVPZFXHPOHRI-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000530211747 388627803 /nfs/dbraw/zinc/62/78/03/388627803.db2.gz KCLZFKQHWPTZRJ-ZYHUDNBSSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000530211745 388628197 /nfs/dbraw/zinc/62/81/97/388628197.db2.gz KCLZFKQHWPTZRJ-PWSUYJOCSA-N 0 1 239.359 2.465 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@@H](CC)C2)n1 ZINC000246316631 388629869 /nfs/dbraw/zinc/62/98/69/388629869.db2.gz WRTQJZIUEPGOKA-VHSXEESVSA-N 0 1 223.320 2.425 20 0 BEADMN CC(C)C(C)(C)NC(=O)c1[nH]nc2c1CCC2 ZINC000551682100 388636966 /nfs/dbraw/zinc/63/69/66/388636966.db2.gz GTQMRMGUBFBKQD-UHFFFAOYSA-N 0 1 235.331 2.063 20 0 BEADMN CN1CCN(C(=O)CCC(C)(C)C)CC1(C)C ZINC000551955088 388649380 /nfs/dbraw/zinc/64/93/80/388649380.db2.gz ONMONOBGFPBJIP-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246701824 388649434 /nfs/dbraw/zinc/64/94/34/388649434.db2.gz ZIXLKJPCAXFLEE-ZKYQVNSYSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1nncn1C ZINC000123518288 388654657 /nfs/dbraw/zinc/65/46/57/388654657.db2.gz MEVLNJAEFPUVEW-GFCCVEGCSA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@H](CC(=O)N1C[C@H](C)N[C@@H](C)C1)C(C)C ZINC000246907657 388655365 /nfs/dbraw/zinc/65/53/65/388655365.db2.gz KHMHIBZFBSNAMX-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246953146 388656313 /nfs/dbraw/zinc/65/63/13/388656313.db2.gz AUWXAXPOMJTUHQ-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CCCN(CC(=O)Nc2ccncc2)[C@H]1C ZINC000246969723 388656770 /nfs/dbraw/zinc/65/67/70/388656770.db2.gz RTFUXTAVZBZEOC-RYUDHWBXSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnn(CC(F)F)c1 ZINC000552029202 388662282 /nfs/dbraw/zinc/66/22/82/388662282.db2.gz PVFTZVBGIJTYGL-IUCAKERBSA-N 0 1 229.274 2.131 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cn(C(C)(C)C)nn1 ZINC000191442060 388662814 /nfs/dbraw/zinc/66/28/14/388662814.db2.gz UWHFNNIRYMAOFL-GHMZBOCLSA-N 0 1 236.363 2.406 20 0 BEADMN CCNC(=O)CN(CC)Cc1ccc(CC)cc1 ZINC000194546210 388735304 /nfs/dbraw/zinc/73/53/04/388735304.db2.gz YXLABVJXIDMCOG-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCN(C(=O)c1cccc2c[nH]nc21)C(C)C ZINC000194811804 388742888 /nfs/dbraw/zinc/74/28/88/388742888.db2.gz IOGCXWGCGJJVSS-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1ccn(C(C)C)n1 ZINC000564207114 388702689 /nfs/dbraw/zinc/70/26/89/388702689.db2.gz QQWMKKGPKPEISQ-NEPJUHHUSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1ncnc1CN(C(C)C)C1CCCC1 ZINC000193423454 388704017 /nfs/dbraw/zinc/70/40/17/388704017.db2.gz LMVYTSIBEKZPHX-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CC)C1 ZINC000249036182 388704401 /nfs/dbraw/zinc/70/44/01/388704401.db2.gz XOLSZYWCPVURIU-JQWIXIFHSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000249089672 388708456 /nfs/dbraw/zinc/70/84/56/388708456.db2.gz CVALLJVKTWZBRL-ABAIWWIYSA-N 0 1 231.405 2.408 20 0 BEADMN Cc1ccccc1[C@H](C)N1C[C@H](CO)O[C@@H](C)C1 ZINC000249271527 388714180 /nfs/dbraw/zinc/71/41/80/388714180.db2.gz JFQHEJJOCICYBI-MELADBBJSA-N 0 1 249.354 2.138 20 0 BEADMN CCOc1cccc(CN2CCC2(C)C)n1 ZINC000538735691 388714929 /nfs/dbraw/zinc/71/49/29/388714929.db2.gz VBHFRYDYZYATAH-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CC[N@@H+](CC(=O)N(C)Cc1ccccc1)C(C)C ZINC000194086002 388722708 /nfs/dbraw/zinc/72/27/08/388722708.db2.gz QQFMJBQAFBYXTD-UHFFFAOYSA-N 0 1 248.370 2.375 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)s1 ZINC000194361232 388730653 /nfs/dbraw/zinc/73/06/53/388730653.db2.gz RRXRDRBIYLLGFM-GFCCVEGCSA-N 0 1 225.357 2.322 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCC(C)CC1 ZINC000067226764 388730676 /nfs/dbraw/zinc/73/06/76/388730676.db2.gz DSCDQVPSLQBFRV-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN C[N@H+](Cc1ccc(CO)o1)CC1CCC1 ZINC000127786627 388732105 /nfs/dbraw/zinc/73/21/05/388732105.db2.gz RFVVLSIGIVUCBW-UHFFFAOYSA-N 0 1 209.289 2.004 20 0 BEADMN CCSCCN(C)Cc1cnn(CC)c1 ZINC000540346328 388804466 /nfs/dbraw/zinc/80/44/66/388804466.db2.gz LWPCDBACMYTMQO-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CC[C@@H](O)CNCc1c(F)cccc1Cl ZINC000229965718 388806953 /nfs/dbraw/zinc/80/69/53/388806953.db2.gz DVRSNTRLGSAXNG-MRVPVSSYSA-N 0 1 231.698 2.340 20 0 BEADMN COC[C@@H]1CN([C@H](C)c2ccccc2)C[C@H](C)O1 ZINC000251997943 388758250 /nfs/dbraw/zinc/75/82/50/388758250.db2.gz WJGSVUHJPUFHHE-GUTXKFCHSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1csc(CN(C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000270059169 388791093 /nfs/dbraw/zinc/79/10/93/388791093.db2.gz GTLXCPPRNLJNJS-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN CCn1ncnc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000253355221 388815482 /nfs/dbraw/zinc/81/54/82/388815482.db2.gz FBPFCRXRZLLJOB-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1ccnc(NCC[C@@H]2CCOC2)c1 ZINC000230104647 388815997 /nfs/dbraw/zinc/81/59/97/388815997.db2.gz VJIGVJBSWYXGDR-LLVKDONJSA-N 0 1 206.289 2.229 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CC3CCC2CC3)c1C ZINC000554510411 388817548 /nfs/dbraw/zinc/81/75/48/388817548.db2.gz WSOYLXRGLXFBDV-HTAVTVPLSA-N 0 1 247.342 2.335 20 0 BEADMN CN1CCC[C@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000540907687 388824840 /nfs/dbraw/zinc/82/48/40/388824840.db2.gz IDMOZMJIMIWAEM-KGLIPLIRSA-N 0 1 244.338 2.054 20 0 BEADMN Cc1c(CN(C)CCSC(C)C)cnn1C ZINC000554844654 388832480 /nfs/dbraw/zinc/83/24/80/388832480.db2.gz YSNKWWLKXWADBB-UHFFFAOYSA-N 0 1 241.404 2.302 20 0 BEADMN C[C@H](O)CCN(C)Cc1cnc(C2CC2)s1 ZINC000093481847 388840032 /nfs/dbraw/zinc/84/00/32/388840032.db2.gz YZVCAHRSMGYXEV-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN CCCCCN(C)[C@H](C)C(=O)OC(C)C ZINC000129769089 388869887 /nfs/dbraw/zinc/86/98/87/388869887.db2.gz LNZJJFYSCWXJJH-LLVKDONJSA-N 0 1 215.337 2.449 20 0 BEADMN CCn1ccnc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000564641794 388882560 /nfs/dbraw/zinc/88/25/60/388882560.db2.gz ZKTHFEBRQWQMGV-GHMZBOCLSA-N 0 1 231.299 2.142 20 0 BEADMN Cc1nnsc1CN(C)[C@@H](C)C1(C)CC1 ZINC000572562128 388888639 /nfs/dbraw/zinc/88/86/39/388888639.db2.gz RNEKRKOAYMVWQG-VIFPVBQESA-N 0 1 225.361 2.467 20 0 BEADMN CC[C@H](O)CNCc1ncoc1-c1ccccc1 ZINC000564847515 388893828 /nfs/dbraw/zinc/89/38/28/388893828.db2.gz CZYHCVAUGIPZSQ-LBPRGKRZSA-N 0 1 246.310 2.202 20 0 BEADMN Cc1ccc(/C=C\c2nc(C3(N)CCC3)no2)o1 ZINC000564959835 388902127 /nfs/dbraw/zinc/90/21/27/388902127.db2.gz JDJLOFJFQJQSCH-WAYWQWQTSA-N 0 1 245.282 2.479 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000564575606 388879142 /nfs/dbraw/zinc/87/91/42/388879142.db2.gz GEZATAPLWPVVTR-QWRGUYRKSA-N 0 1 223.316 2.116 20 0 BEADMN CC(C)=CC[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000565112170 388916517 /nfs/dbraw/zinc/91/65/17/388916517.db2.gz ZCBBZSVSSMJWHD-JTQLQIEISA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H]3CCC[C@H]3C2)n1C ZINC000153372218 388967052 /nfs/dbraw/zinc/96/70/52/388967052.db2.gz HSVWRYRKKVFOLM-RYUDHWBXSA-N 0 1 248.374 2.170 20 0 BEADMN Cc1nnc(CN2C[C@H]3CCC[C@@H]3C2)n1C1CC1 ZINC000153371759 388967498 /nfs/dbraw/zinc/96/74/98/388967498.db2.gz NQCSPWVIOUOTGY-VXGBXAGGSA-N 0 1 246.358 2.153 20 0 BEADMN C(c1nnc(C2CC2)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153206101 388950060 /nfs/dbraw/zinc/95/00/60/388950060.db2.gz RPNBLPLHAUMQDZ-PHIMTYICSA-N 0 1 233.315 2.179 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1ccno1 ZINC000565521830 388950210 /nfs/dbraw/zinc/95/02/10/388950210.db2.gz LMGJQBIQNIJYDS-VXGBXAGGSA-N 0 1 224.304 2.112 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncccc2O)[C@H]1C ZINC000565860849 388973364 /nfs/dbraw/zinc/97/33/64/388973364.db2.gz RUPANOMZBLRPCP-UWVGGRQHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ncccc2[O-])[C@H]1C ZINC000565860849 388973367 /nfs/dbraw/zinc/97/33/67/388973367.db2.gz RUPANOMZBLRPCP-UWVGGRQHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncccc2[O-])[C@H]1C ZINC000565860849 388973369 /nfs/dbraw/zinc/97/33/69/388973369.db2.gz RUPANOMZBLRPCP-UWVGGRQHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC000565860850 388973401 /nfs/dbraw/zinc/97/34/01/388973401.db2.gz RUPANOMZBLRPCP-VHSXEESVSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC000565860850 388973404 /nfs/dbraw/zinc/97/34/04/388973404.db2.gz RUPANOMZBLRPCP-VHSXEESVSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncccc1O ZINC000565860850 388973399 /nfs/dbraw/zinc/97/33/99/388973399.db2.gz RUPANOMZBLRPCP-VHSXEESVSA-N 0 1 206.289 2.018 20 0 BEADMN CC[C@H]1CCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000268105522 389002294 /nfs/dbraw/zinc/00/22/94/389002294.db2.gz BFTJOIAAGOHQSX-DTWKUNHWSA-N 0 1 231.303 2.344 20 0 BEADMN CC(C)N(Cc1cnns1)CC1CC1 ZINC000572572641 388978089 /nfs/dbraw/zinc/97/80/89/388978089.db2.gz VVUYAIBJUFZBDL-UHFFFAOYSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nnc(C3CC3)o2)C[C@H]1C ZINC000565941571 388980338 /nfs/dbraw/zinc/98/03/38/388980338.db2.gz UBGAPRTVQVZDAI-OPRDCNLKSA-N 0 1 235.331 2.423 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)c1nccs1 ZINC000566015375 388982204 /nfs/dbraw/zinc/98/22/04/388982204.db2.gz UNTLETYCKYUIFI-IUCAKERBSA-N 0 1 242.344 2.042 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000566015373 388982986 /nfs/dbraw/zinc/98/29/86/388982986.db2.gz UNTLETYCKYUIFI-BDAKNGLRSA-N 0 1 242.344 2.042 20 0 BEADMN Cc1cc(C)cc([C@H](C)NCc2cnnn2C)c1 ZINC000267484635 389000537 /nfs/dbraw/zinc/00/05/37/389000537.db2.gz BFDVZAZSRVHLJA-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ccc([C@H](C)NCc2cnnn2C)cc1C ZINC000267512350 389001423 /nfs/dbraw/zinc/00/14/23/389001423.db2.gz KKMIAQHKQKWECC-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](CCc1ccco1)NCc1cocn1 ZINC000272221385 389030165 /nfs/dbraw/zinc/03/01/65/389030165.db2.gz WFVKQACYLHGTJC-SNVBAGLBSA-N 0 1 220.272 2.379 20 0 BEADMN CO[C@@H](CN[C@H](C)c1nccs1)C(C)C ZINC000271341175 389019023 /nfs/dbraw/zinc/01/90/23/389019023.db2.gz CELOAGFVIZARCL-ZJUUUORDSA-N 0 1 228.361 2.465 20 0 BEADMN CCc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000271824608 389027220 /nfs/dbraw/zinc/02/72/20/389027220.db2.gz NMEIWJYJINSFKE-UHFFFAOYSA-N 0 1 234.343 2.194 20 0 BEADMN CO[C@H](C)CNC1(c2nc(C)cs2)CCC1 ZINC000275145983 389054367 /nfs/dbraw/zinc/05/43/67/389054367.db2.gz FSDKTTXJGDUTMR-SNVBAGLBSA-N 0 1 240.372 2.455 20 0 BEADMN C[C@@H](NCc1ccnc(Cl)c1)c1cn[nH]c1 ZINC000275248869 389054807 /nfs/dbraw/zinc/05/48/07/389054807.db2.gz YFYXIPVYOIBNPW-MRVPVSSYSA-N 0 1 236.706 2.309 20 0 BEADMN CCSCCCNCc1ncc(Cl)n1C ZINC000272715450 389034154 /nfs/dbraw/zinc/03/41/54/389034154.db2.gz ANHNZQAVWZNBFK-UHFFFAOYSA-N 0 1 247.795 2.306 20 0 BEADMN C[C@@]1(NCc2cscn2)CCO[C@H]1C1CC1 ZINC000273066705 389036690 /nfs/dbraw/zinc/03/66/90/389036690.db2.gz NPWXWXHDNOJAGQ-NWDGAFQWSA-N 0 1 238.356 2.190 20 0 BEADMN CCOCCNC1(c2nc(C)cs2)CCC1 ZINC000274059105 389044486 /nfs/dbraw/zinc/04/44/86/389044486.db2.gz QEVRPWDGZCSVHF-UHFFFAOYSA-N 0 1 240.372 2.457 20 0 BEADMN CC(C)OC1CCN(Cc2ccno2)CC1 ZINC000533475758 322821132 /nfs/dbraw/zinc/82/11/32/322821132.db2.gz RZYMWPOCULILKP-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN CO[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1OC ZINC000488020225 533470509 /nfs/dbraw/zinc/47/05/09/533470509.db2.gz BMBMOBCKIPVWTO-VOTDVEDPSA-N 0 1 247.338 2.045 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ncnn2C(C)(C)C)[C@H]1C ZINC000494994819 533655690 /nfs/dbraw/zinc/65/56/90/533655690.db2.gz KQFFGNVBXHOSPA-OUAUKWLOSA-N 0 1 236.363 2.167 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ncnn2C(C)(C)C)[C@@H]1C ZINC000494994817 533656044 /nfs/dbraw/zinc/65/60/44/533656044.db2.gz KQFFGNVBXHOSPA-GMTAPVOTSA-N 0 1 236.363 2.167 20 0 BEADMN CC(C)=CCN1CCN(c2cncc(F)c2)CC1 ZINC000270969494 132198488 /nfs/dbraw/zinc/19/84/88/132198488.db2.gz WBYFVGGSXOLWAJ-UHFFFAOYSA-N 0 1 249.333 2.309 20 0 BEADMN CC(C)c1cc(N2CCN(C)[C@H](C)[C@H]2C)ncn1 ZINC000356794634 132271810 /nfs/dbraw/zinc/27/18/10/132271810.db2.gz MXLZDCPSDZMGSX-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN CCCCCCN1CCN(c2ncccn2)CC1 ZINC000038418582 132346062 /nfs/dbraw/zinc/34/60/62/132346062.db2.gz NMLFFNFMMVUNMP-UHFFFAOYSA-N 0 1 248.374 2.179 20 0 BEADMN C[C@@](N)(C(=O)NC[C@H]1CC1(C)C)c1ccccc1 ZINC000219229053 133523190 /nfs/dbraw/zinc/52/31/90/133523190.db2.gz LKKKEKVBEZQHKP-DOMZBBRYSA-N 0 1 246.354 2.023 20 0 BEADMN Cc1nccc(N2CCOC[C@H]2C)c1Cl ZINC000334240212 133591559 /nfs/dbraw/zinc/59/15/59/133591559.db2.gz OICXNBRKOFCGCH-MRVPVSSYSA-N 0 1 226.707 2.269 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC[C@H]1C1CC1 ZINC000334526637 133686059 /nfs/dbraw/zinc/68/60/59/133686059.db2.gz NPZYOZPMBQGEEB-LBPRGKRZSA-N 0 1 241.294 2.187 20 0 BEADMN O=C1[C@H](N2CCCC2)CCN1c1ccc(F)cc1 ZINC000334809482 133751089 /nfs/dbraw/zinc/75/10/89/133751089.db2.gz ZEYZIXQANGANIW-CYBMUJFWSA-N 0 1 248.301 2.027 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCC2(CCC2)C1 ZINC000335936184 134012602 /nfs/dbraw/zinc/01/26/02/134012602.db2.gz BZUSZZSZOOJGRO-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN Cc1ncc(CN(C)[C@H]2CC2(C)C)cn1 ZINC000335940550 134017104 /nfs/dbraw/zinc/01/71/04/134017104.db2.gz UWDVQRXSORSVKY-NSHDSACASA-N 0 1 205.305 2.015 20 0 BEADMN CCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000351991908 134031295 /nfs/dbraw/zinc/03/12/95/134031295.db2.gz AMQPBTCDCZKYRE-UHFFFAOYSA-N 0 1 240.303 2.086 20 0 BEADMN CCC1(CC)CN(CC[C@@H](C)F)CC[S@]1=O ZINC000351997383 134033395 /nfs/dbraw/zinc/03/33/95/134033395.db2.gz XWDWGSCTSRYGJJ-BDJLRTHQSA-N 0 1 249.395 2.358 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCC(C)(C)C ZINC000352013494 134035917 /nfs/dbraw/zinc/03/59/17/134035917.db2.gz JEJGDLXDTCOLMG-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)[C@H](C)CN1C ZINC000352013496 134035952 /nfs/dbraw/zinc/03/59/52/134035952.db2.gz JEJGDLXDTCOLMG-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@](O)(CN1CC2(C1)CCCC2)C(F)(F)F ZINC000335980568 134037287 /nfs/dbraw/zinc/03/72/87/134037287.db2.gz QTURMXPEGYGFBH-VIFPVBQESA-N 0 1 237.265 2.176 20 0 BEADMN C[C@@H]1CN(Cc2cc[nH]n2)CC(C)(C)C1 ZINC000335996268 134042135 /nfs/dbraw/zinc/04/21/35/134042135.db2.gz MGFOTZYAGXMQGX-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN CSc1ccc(CN2CCC[C@@H](O)C2)s1 ZINC000336012820 134052061 /nfs/dbraw/zinc/05/20/61/134052061.db2.gz PQEBIUUHOMFWAS-SECBINFHSA-N 0 1 243.397 2.427 20 0 BEADMN CCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000336044495 134063064 /nfs/dbraw/zinc/06/30/64/134063064.db2.gz QPGDOSZHVAACAB-LBPRGKRZSA-N 0 1 248.326 2.420 20 0 BEADMN CCCCN(C)[C@@H](CC(C)C)C(=O)OC ZINC000352114273 134068461 /nfs/dbraw/zinc/06/84/61/134068461.db2.gz WALKMFXMENAWPK-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)n[nH]1 ZINC000336061116 134068755 /nfs/dbraw/zinc/06/87/55/134068755.db2.gz JDVDLGCMJGMOCA-LLVKDONJSA-N 0 1 235.331 2.226 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H](C(C)C)C2)[nH]1 ZINC000336061386 134069077 /nfs/dbraw/zinc/06/90/77/134069077.db2.gz PSCVKOUVRDGOKZ-LLVKDONJSA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc2[nH]cnc21 ZINC000336066253 134070773 /nfs/dbraw/zinc/07/07/73/134070773.db2.gz FZTRXIYDEHGEAC-RKDXNWHRSA-N 0 1 229.283 2.186 20 0 BEADMN C[C@H]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC000336076263 134073453 /nfs/dbraw/zinc/07/34/53/134073453.db2.gz HKZCGFYDXWNYEU-UWVGGRQHSA-N 0 1 247.342 2.064 20 0 BEADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CC1(C)C ZINC000336112579 134087057 /nfs/dbraw/zinc/08/70/57/134087057.db2.gz QAXGRACMOOHZDR-NSHDSACASA-N 0 1 233.315 2.158 20 0 BEADMN Cc1noc([C@H]2CCCN2C2CCCC2)n1 ZINC000336114435 134087788 /nfs/dbraw/zinc/08/77/88/134087788.db2.gz WZQHCCLUZHHNOC-LLVKDONJSA-N 0 1 221.304 2.458 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@@H](C)C2)ncn1 ZINC000336125022 134092747 /nfs/dbraw/zinc/09/27/47/134092747.db2.gz RFJMOJVFTMAUJW-SNVBAGLBSA-N 0 1 217.316 2.183 20 0 BEADMN Cc1cc(F)cc2c1CN([C@H]1CCOC1)CC2 ZINC000336135667 134095905 /nfs/dbraw/zinc/09/59/05/134095905.db2.gz DWKOTXZMJJYTCV-ZDUSSCGKSA-N 0 1 235.302 2.281 20 0 BEADMN Cc1nc(CN(C)[C@H]2CC[C@H](O)CC2)oc1C ZINC000336159544 134106968 /nfs/dbraw/zinc/10/69/68/134106968.db2.gz OQHJFRVLZCDWDV-HAQNSBGRSA-N 0 1 238.331 2.027 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N(C)C1CC(O)C1 ZINC000336179230 134117988 /nfs/dbraw/zinc/11/79/88/134117988.db2.gz PRPZZWABDAHXFI-KPPDAEKUSA-N 0 1 246.310 2.344 20 0 BEADMN CCc1ccc(CNCc2cccnc2)cn1 ZINC000352257378 134119988 /nfs/dbraw/zinc/11/99/88/134119988.db2.gz SXIIOPIOQZBRGL-UHFFFAOYSA-N 0 1 227.311 2.329 20 0 BEADMN O=C1CCC(CN2CCOCC23CCC3)CC1 ZINC000336188587 134122598 /nfs/dbraw/zinc/12/25/98/134122598.db2.gz YSNOUBOJOFYEKI-UHFFFAOYSA-N 0 1 237.343 2.001 20 0 BEADMN Cc1[nH]nc2ncc(C[N@@H+](C)CC3CC3)cc12 ZINC000352286910 134136288 /nfs/dbraw/zinc/13/62/88/134136288.db2.gz LHUPNZXMNYCEAL-UHFFFAOYSA-N 0 1 230.315 2.108 20 0 BEADMN C[C@@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336217496 134137910 /nfs/dbraw/zinc/13/79/10/134137910.db2.gz BPLVSIZFURUMCL-IMTBSYHQSA-N 0 1 245.244 2.062 20 0 BEADMN COc1cc(C)ccc1CN1CC2(C1)CCOC2 ZINC000336219439 134138756 /nfs/dbraw/zinc/13/87/56/134138756.db2.gz PNSYVWRSXAWSLT-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN C[C@@H](NCc1cc[nH]n1)[C@@H]1COc2ccccc21 ZINC000169170702 134249223 /nfs/dbraw/zinc/24/92/23/134249223.db2.gz PWSWMOVKRFJDGN-MFKMUULPSA-N 0 1 243.310 2.064 20 0 BEADMN COc1cccc(C[N@@H+](C)CC2CCC2)n1 ZINC000171829730 134260833 /nfs/dbraw/zinc/26/08/33/134260833.db2.gz CQXPSLKGABBXDD-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN O=S(=O)(CCCC1CCCC1)c1ncc[nH]1 ZINC000172881031 134270188 /nfs/dbraw/zinc/27/01/88/134270188.db2.gz YSIKUJITKFDANW-UHFFFAOYSA-N 0 1 242.344 2.154 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000172960556 134271234 /nfs/dbraw/zinc/27/12/34/134271234.db2.gz KRTVDDOWBQXMJT-UJNFCWOMSA-N 0 1 221.304 2.027 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccncc1 ZINC000174243135 134279374 /nfs/dbraw/zinc/27/93/74/134279374.db2.gz UJAKIMRITCKCLS-TXEJJXNPSA-N 0 1 247.342 2.283 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccncc1 ZINC000174008727 134280337 /nfs/dbraw/zinc/28/03/37/134280337.db2.gz ZNFCUVSKLWOTQX-NWDGAFQWSA-N 0 1 247.342 2.141 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000177367144 134297498 /nfs/dbraw/zinc/29/74/98/134297498.db2.gz YJWLYPOWHSWCFX-MNOVXSKESA-N 0 1 249.358 2.238 20 0 BEADMN C[C@@H]1CCC[C@H](CN(C)Cc2nnc[nH]2)C1 ZINC000179359556 134316590 /nfs/dbraw/zinc/31/65/90/134316590.db2.gz JOPSJYNUIQJZES-MNOVXSKESA-N 0 1 222.336 2.063 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc2c(C)cccn12 ZINC000179370815 134316764 /nfs/dbraw/zinc/31/67/64/134316764.db2.gz SZFANHQEIOZNQK-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN c1ccc(CN(CCOCC2CC2)C2CC2)nc1 ZINC000179256637 134319245 /nfs/dbraw/zinc/31/92/45/134319245.db2.gz MVTCDDHGYOCJHR-UHFFFAOYSA-N 0 1 246.354 2.473 20 0 BEADMN CC[C@@H]1CCCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000180404008 134327352 /nfs/dbraw/zinc/32/73/52/134327352.db2.gz RSKUYRRBJGERNP-SNVBAGLBSA-N 0 1 234.347 2.304 20 0 BEADMN CN(Cc1n[nH]c(C2CC2)n1)Cc1ccccc1 ZINC000180404742 134327376 /nfs/dbraw/zinc/32/73/76/134327376.db2.gz IVGKNADLIWELAP-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN CCOCCN(C)Cc1cnc2cc(C)ccn12 ZINC000181482018 134336928 /nfs/dbraw/zinc/33/69/28/134336928.db2.gz NCBJALHFAOEFKR-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cncc(C)c1 ZINC000181829836 134339908 /nfs/dbraw/zinc/33/99/08/134339908.db2.gz VCUNVYVOMSWSER-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CCOC1CC(NCc2csc(CC)n2)C1 ZINC000224389945 134346372 /nfs/dbraw/zinc/34/63/72/134346372.db2.gz DOSNBMDTUUSLBD-UHFFFAOYSA-N 0 1 240.372 2.363 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000183173375 134349211 /nfs/dbraw/zinc/34/92/11/134349211.db2.gz YLJIWDZMQCFKSF-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[N@@H+](C)CCNC(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000183780637 134354030 /nfs/dbraw/zinc/35/40/30/134354030.db2.gz ALZLWTDNLKHYOC-FUNVUKJBSA-N 0 1 240.391 2.127 20 0 BEADMN C[C@@H](O)C(C)(C)NCc1ncc(Cl)s1 ZINC000225377611 134354684 /nfs/dbraw/zinc/35/46/84/134354684.db2.gz CYXRIBGKPARBTL-ZCFIWIBFSA-N 0 1 234.752 2.046 20 0 BEADMN CC(C)[C@H](CCO)NCc1ncc(Cl)s1 ZINC000225358250 134354903 /nfs/dbraw/zinc/35/49/03/134354903.db2.gz JTIYLGXLEFQWKA-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000184677720 134367908 /nfs/dbraw/zinc/36/79/08/134367908.db2.gz AQLXTMVOOXCQCF-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](NCc1ccon1)[C@H]1COc2ccccc21 ZINC000185577006 134382128 /nfs/dbraw/zinc/38/21/28/134382128.db2.gz SRXPRYHQLZDNJA-ZWNOBZJWSA-N 0 1 244.294 2.329 20 0 BEADMN Cc1ncsc1CNCc1cnccc1C ZINC000135460460 134746547 /nfs/dbraw/zinc/74/65/47/134746547.db2.gz WCWWSFHYRLBHKA-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1cc(F)ccc1F ZINC000070965783 134926081 /nfs/dbraw/zinc/92/60/81/134926081.db2.gz FBRROKBQETXADF-SCZZXKLOSA-N 0 1 227.254 2.404 20 0 BEADMN CC[C@@H](c1ccccc1)N1CCO[C@@H](COC)C1 ZINC000246738562 134960890 /nfs/dbraw/zinc/96/08/90/134960890.db2.gz MONHEQJTMOTJTF-CABCVRRESA-N 0 1 249.354 2.485 20 0 BEADMN Cc1csc([C@@H](C)N[C@@H]2CCCOC2)n1 ZINC000070732742 135010542 /nfs/dbraw/zinc/01/05/42/135010542.db2.gz MRAXEACPKZVDQT-NXEZZACHSA-N 0 1 226.345 2.281 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@H]21 ZINC000248452738 135011357 /nfs/dbraw/zinc/01/13/57/135011357.db2.gz YVHJPIBEGFSJBL-JFGNBEQYSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000076117808 135011563 /nfs/dbraw/zinc/01/15/63/135011563.db2.gz KMODHURGWKMDLM-VIFPVBQESA-N 0 1 233.271 2.314 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1CCC[C@H](C)CC1 ZINC000248845090 135023441 /nfs/dbraw/zinc/02/34/41/135023441.db2.gz MWONFCHPTGVXDM-WDEREUQCSA-N 0 1 249.362 2.191 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CC[C@H](C)O2)CCO1 ZINC000249033734 135030940 /nfs/dbraw/zinc/03/09/40/135030940.db2.gz FTMBEVDAQDGOPQ-YNEHKIRRSA-N 0 1 227.348 2.055 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000249370598 135036723 /nfs/dbraw/zinc/03/67/23/135036723.db2.gz WRPQPVVGVNRHQX-GHMZBOCLSA-N 0 1 236.363 2.378 20 0 BEADMN CCc1nnc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH]1 ZINC000249376314 135037823 /nfs/dbraw/zinc/03/78/23/135037823.db2.gz YNPWIRTWCNVAQD-SDDRHHMPSA-N 0 1 248.374 2.378 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](C)[C@H]2CC)n1 ZINC000249440099 135038931 /nfs/dbraw/zinc/03/89/31/135038931.db2.gz LVPYMOQKYKJYMJ-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](C)[C@H]2CC)n1 ZINC000249440099 135038933 /nfs/dbraw/zinc/03/89/33/135038933.db2.gz LVPYMOQKYKJYMJ-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@H](O)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000249600855 135041460 /nfs/dbraw/zinc/04/14/60/135041460.db2.gz QLXSHLKCRXFFFR-COMQUAJESA-N 0 1 249.354 2.218 20 0 BEADMN C[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1O ZINC000251674504 135073738 /nfs/dbraw/zinc/07/37/38/135073738.db2.gz MHOFSBYFAXLEQN-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2nnc(C)o2)C1 ZINC000246247020 135082132 /nfs/dbraw/zinc/08/21/32/135082132.db2.gz OXBBLNJLACMUHV-PSASIEDQSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2N(C)C)[C@H](C)CO1 ZINC000078047171 135091182 /nfs/dbraw/zinc/09/11/82/135091182.db2.gz ZCBJVTZKBZCMDQ-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN Cc1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000086856880 135098922 /nfs/dbraw/zinc/09/89/22/135098922.db2.gz LTACFEYFWFGBIW-VIFPVBQESA-N 0 1 209.293 2.046 20 0 BEADMN Cc1csc(CN[C@@H]2CS[C@@H](C)C2)n1 ZINC000086935425 135103622 /nfs/dbraw/zinc/10/36/22/135103622.db2.gz CIMRHCJZEMJRID-IUCAKERBSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1csc(CN[C@H]2CS[C@H](C)C2)n1 ZINC000086935426 135103924 /nfs/dbraw/zinc/10/39/24/135103924.db2.gz CIMRHCJZEMJRID-RKDXNWHRSA-N 0 1 228.386 2.435 20 0 BEADMN C[C@H](NC[C@]1(C)CCCO1)c1nccs1 ZINC000087234077 135114619 /nfs/dbraw/zinc/11/46/19/135114619.db2.gz MTKQIICMYADXCG-ONGXEEELSA-N 0 1 226.345 2.363 20 0 BEADMN Cc1cscc1CNCc1cncnc1 ZINC000087309319 135121646 /nfs/dbraw/zinc/12/16/46/135121646.db2.gz XNDMZEVNJKINHK-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1cscc1CNCc1c[nH]nc1C ZINC000087309609 135122717 /nfs/dbraw/zinc/12/27/17/135122717.db2.gz UQALFAKQSHNSRH-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CC(C)(C)N(C/C=C\c1ccccc1)CC(N)=O ZINC000255115599 135128645 /nfs/dbraw/zinc/12/86/45/135128645.db2.gz XTOSOEZLCNRSCN-YFHOEESVSA-N 0 1 246.354 2.286 20 0 BEADMN C[C@H](C[N@@H+](C)CCC1CCCC1)C(=O)[O-] ZINC000258787148 135133793 /nfs/dbraw/zinc/13/37/93/135133793.db2.gz CAUWPKLINYREBS-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN O[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000078694898 135139682 /nfs/dbraw/zinc/13/96/82/135139682.db2.gz JOXZRQJBLMSZFU-LLVKDONJSA-N 0 1 246.285 2.335 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](CC(=O)[O-])C(C)C ZINC000261527290 135150796 /nfs/dbraw/zinc/15/07/96/135150796.db2.gz MKHMQHRTXVBQPL-NSHDSACASA-N 0 1 215.337 2.464 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H](C)CC(C)C ZINC000261527294 135151315 /nfs/dbraw/zinc/15/13/15/135151315.db2.gz NRQSRGOVTDEYPG-LLVKDONJSA-N 0 1 215.337 2.465 20 0 BEADMN CC(C)C(C[N@@H+](C)[C@H](C)C(=O)[O-])C(C)C ZINC000261529849 135156570 /nfs/dbraw/zinc/15/65/70/135156570.db2.gz BNZVBWCOASTHBD-SNVBAGLBSA-N 0 1 215.337 2.320 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000261536375 135171322 /nfs/dbraw/zinc/17/13/22/135171322.db2.gz RLOJSJIQJUMFSW-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000261536845 135172755 /nfs/dbraw/zinc/17/27/55/135172755.db2.gz TXMUQKOQMMURBR-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCOC(=O)c1csc(C2(N)CCCC2)n1 ZINC000084149906 135187522 /nfs/dbraw/zinc/18/75/22/135187522.db2.gz FFUPLOUUQYLVAH-UHFFFAOYSA-N 0 1 240.328 2.048 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCC2CCCC2)C1 ZINC000261565756 135208104 /nfs/dbraw/zinc/20/81/04/135208104.db2.gz DFLDJNXJMNGRNG-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN OCc1cccc(CNCc2ccco2)c1 ZINC000163908113 135209095 /nfs/dbraw/zinc/20/90/95/135209095.db2.gz RHXZDXZUJFJXIL-UHFFFAOYSA-N 0 1 217.268 2.062 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1CCCCCC1 ZINC000084330678 135211713 /nfs/dbraw/zinc/21/17/13/135211713.db2.gz WKZVHASDQKLSFT-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN OC1(CNCc2csc(C3CC3)n2)CCC1 ZINC000164043182 135211892 /nfs/dbraw/zinc/21/18/92/135211892.db2.gz XSMWRWXSNCUTQD-UHFFFAOYSA-N 0 1 238.356 2.025 20 0 BEADMN CCC(C)(C)CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000261587306 135228452 /nfs/dbraw/zinc/22/84/52/135228452.db2.gz RRABLEQDDBHVKC-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000261836702 135256405 /nfs/dbraw/zinc/25/64/05/135256405.db2.gz UEWRVNPCLBGZSZ-IJLUTSLNSA-N 0 1 227.348 2.321 20 0 BEADMN c1cncc([C@@H]2CNCC[N@H+]2CC2CCCC2)c1 ZINC000261856490 135257662 /nfs/dbraw/zinc/25/76/62/135257662.db2.gz VZMVWAHSYPYDJS-HNNXBMFYSA-N 0 1 245.370 2.218 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000261877774 135258720 /nfs/dbraw/zinc/25/87/20/135258720.db2.gz YDKIPNXLIWIUHJ-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN NC1(c2noc(C3CCSCC3)n2)CCC1 ZINC000261883116 135260056 /nfs/dbraw/zinc/26/00/56/135260056.db2.gz WPNGGPCBNCVXNK-UHFFFAOYSA-N 0 1 239.344 2.018 20 0 BEADMN Cc1c[nH]cc1-c1nc(C2(N)CCCC2)no1 ZINC000261897774 135260933 /nfs/dbraw/zinc/26/09/33/135260933.db2.gz YEVDEYYDTGTKOO-UHFFFAOYSA-N 0 1 232.287 2.101 20 0 BEADMN NC1(c2noc(Cc3ccccc3F)n2)CCC1 ZINC000261912659 135262367 /nfs/dbraw/zinc/26/23/67/135262367.db2.gz ZXZWIWCESOMKRO-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262102916 135278642 /nfs/dbraw/zinc/27/86/42/135278642.db2.gz HPXFFHWBRDNWTC-GMXVVIOVSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccccc1C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000262176918 135283781 /nfs/dbraw/zinc/28/37/81/135283781.db2.gz DFCZNCNILJCQFO-LLVKDONJSA-N 0 1 233.311 2.433 20 0 BEADMN COC1CN(C[C@H](C)c2ccccc2)C1 ZINC000342507816 135284883 /nfs/dbraw/zinc/28/48/83/135284883.db2.gz ZQLFDPQNDWVDEB-NSHDSACASA-N 0 1 205.301 2.121 20 0 BEADMN Cc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000262245157 135287312 /nfs/dbraw/zinc/28/73/12/135287312.db2.gz ORFSBXMPWAGUPX-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN CCc1csc(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000342561261 135288538 /nfs/dbraw/zinc/28/85/38/135288538.db2.gz VOMCWMDYKAZJLP-VHSXEESVSA-N 0 1 239.388 2.234 20 0 BEADMN CCCO[C@@H]1CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC000262204494 135289811 /nfs/dbraw/zinc/28/98/11/135289811.db2.gz HVPUGKOUPDCLHT-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CCC1CC(NCc2nnc3n2CCCCC3)C1 ZINC000342630216 135297781 /nfs/dbraw/zinc/29/77/81/135297781.db2.gz STUQZLVBNCOHAR-UHFFFAOYSA-N 0 1 248.374 2.283 20 0 BEADMN CCOC(=O)CN(CCC(C)C)C1CCC1 ZINC000342662256 135308714 /nfs/dbraw/zinc/30/87/14/135308714.db2.gz PFSQGUPZRAVQFR-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc2ccc(CS[C@H](C)CO)cc2[nH]1 ZINC000342662978 135308904 /nfs/dbraw/zinc/30/89/04/135308904.db2.gz MOSGBJHDRVHHDN-MRVPVSSYSA-N 0 1 236.340 2.485 20 0 BEADMN Cc1cc(N[C@@H](C)c2n[nH]c(C(C)C)n2)ncn1 ZINC000342784726 135318464 /nfs/dbraw/zinc/31/84/64/135318464.db2.gz WCFYGTXFXSNLRH-VIFPVBQESA-N 0 1 246.318 2.200 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@@](F)(CO)C2)c1 ZINC000334165623 135322950 /nfs/dbraw/zinc/32/29/50/135322950.db2.gz AIYXNCHNIZQKIC-AWEZNQCLSA-N 0 1 237.318 2.210 20 0 BEADMN CCC(CC)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263106438 135333115 /nfs/dbraw/zinc/33/31/15/135333115.db2.gz XSGSWNLFQGQOLC-CMPLNLGQSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)CCC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113573 135333290 /nfs/dbraw/zinc/33/32/90/135333290.db2.gz ZCNBTLCGPUJPDZ-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)CCC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263113580 135334276 /nfs/dbraw/zinc/33/42/76/135334276.db2.gz ZCNBTLCGPUJPDZ-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccoc2)n[nH]1 ZINC000343004039 135344000 /nfs/dbraw/zinc/34/40/00/135344000.db2.gz VFPUENJJHYRAMH-MRVPVSSYSA-N 0 1 248.286 2.012 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000263353037 135348730 /nfs/dbraw/zinc/34/87/30/135348730.db2.gz QKAACUDLNCLOBS-NEPJUHHUSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000263383024 135350665 /nfs/dbraw/zinc/35/06/65/135350665.db2.gz CGVKJEPNAUMWNF-RAIGVLPGSA-N 0 1 233.311 2.195 20 0 BEADMN Cc1cc(C[N@@H+](C)CC(=O)[O-])ccc1Cl ZINC000263390547 135351397 /nfs/dbraw/zinc/35/13/97/135351397.db2.gz FCELGNYZGPFXLZ-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000263412143 135352052 /nfs/dbraw/zinc/35/20/52/135352052.db2.gz LTMAQFDFAAIHPA-FSIBCCDJSA-N 0 1 237.274 2.244 20 0 BEADMN C[C@H]1COCCN(Cc2cccc(C(N)=O)c2)C1 ZINC000334329830 135354305 /nfs/dbraw/zinc/35/43/05/135354305.db2.gz JSRNLBAXXRPZSJ-LLVKDONJSA-N 0 1 248.326 2.038 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000263450886 135355069 /nfs/dbraw/zinc/35/50/69/135355069.db2.gz ZMBCSOSEUXWKKI-RDBSUJKOSA-N 0 1 245.322 2.339 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263446748 135355573 /nfs/dbraw/zinc/35/55/73/135355573.db2.gz YAYGPEXNECDKJT-LBPRGKRZSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000263528500 135358064 /nfs/dbraw/zinc/35/80/64/135358064.db2.gz VHKLKHNIYRWKOH-FHUSYTEZSA-N 0 1 237.343 2.360 20 0 BEADMN CCC[C@@H](Nc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000263557417 135360103 /nfs/dbraw/zinc/36/01/03/135360103.db2.gz PETZAFDCWKGQJX-SNVBAGLBSA-N 0 1 247.298 2.239 20 0 BEADMN CCC[C@H](Nc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000263563115 135360463 /nfs/dbraw/zinc/36/04/63/135360463.db2.gz TVXOXODHVCPTTD-JTQLQIEISA-N 0 1 233.271 2.228 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)on1 ZINC000334333405 135361684 /nfs/dbraw/zinc/36/16/84/135361684.db2.gz UHQCUSXCDDUDDY-CMPLNLGQSA-N 0 1 206.289 2.357 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000334356987 135371839 /nfs/dbraw/zinc/37/18/39/135371839.db2.gz ORPASBLSXZSXMK-WPRPVWTQSA-N 0 1 229.283 2.091 20 0 BEADMN O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(F)cc1O ZINC000334368765 135373259 /nfs/dbraw/zinc/37/32/59/135373259.db2.gz MJSJMXWKWLZFQB-IONNQARKSA-N 0 1 241.237 2.152 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cc2ncccn2)C1 ZINC000334385061 135382462 /nfs/dbraw/zinc/38/24/62/135382462.db2.gz MJWUVDZZZKHIJF-NSHDSACASA-N 0 1 219.332 2.345 20 0 BEADMN c1cn2c(n1)CN(C[C@@H]1CC=CCC1)CC2 ZINC000334394654 135387170 /nfs/dbraw/zinc/38/71/70/135387170.db2.gz BCSAQOAMLLEYFD-GFCCVEGCSA-N 0 1 217.316 2.055 20 0 BEADMN F[C@H]1CCC[C@H]1NCc1cccc2c1OCO2 ZINC000334397643 135388800 /nfs/dbraw/zinc/38/88/00/135388800.db2.gz CUBUABGJLZXLML-WDEREUQCSA-N 0 1 237.274 2.396 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CC(C)C ZINC000071815597 135389702 /nfs/dbraw/zinc/38/97/02/135389702.db2.gz GKNOJXMAIOTGKA-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CSCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000334401665 135390296 /nfs/dbraw/zinc/39/02/96/135390296.db2.gz GSGKMVLAQILWRN-UHFFFAOYSA-N 0 1 235.312 2.173 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc(CO)cc2)C1 ZINC000334403364 135390796 /nfs/dbraw/zinc/39/07/96/135390796.db2.gz OVPFFHRGABJBJQ-CYBMUJFWSA-N 0 1 223.291 2.113 20 0 BEADMN C[C@@H]1CN(Cc2ncc(C3CC3)o2)[C@H](C)CN1C ZINC000334404489 135393259 /nfs/dbraw/zinc/39/32/59/135393259.db2.gz FMZQDSWTBBKMPU-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccn1 ZINC000334405933 135393985 /nfs/dbraw/zinc/39/39/85/135393985.db2.gz HOJPAJTUFDPULV-MNOVXSKESA-N 0 1 242.326 2.013 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CO1 ZINC000335426306 135412635 /nfs/dbraw/zinc/41/26/35/135412635.db2.gz STWLOWUDAXELBR-LDYMZIIASA-N 0 1 227.254 2.232 20 0 BEADMN CC(C)c1ccc(CC[N@@H+](C)CC(=O)[O-])cc1 ZINC000082293170 135433815 /nfs/dbraw/zinc/43/38/15/135433815.db2.gz TZJIACAUQQZZPR-UHFFFAOYSA-N 0 1 235.327 2.369 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000090460429 135550866 /nfs/dbraw/zinc/55/08/66/135550866.db2.gz SYMWOMVNCIOAMH-PSASIEDQSA-N 0 1 238.356 2.288 20 0 BEADMN c1ccc(-c2n[nH]c(S[C@@H]3CCOC3)n2)cc1 ZINC000335192863 135952403 /nfs/dbraw/zinc/95/24/03/135952403.db2.gz LJXFIHSSEWKMDR-SNVBAGLBSA-N 0 1 247.323 2.353 20 0 BEADMN CCC[N@@H+](CC)Cc1cc(C(=O)OC)n(C)c1 ZINC000347646266 136000263 /nfs/dbraw/zinc/00/02/63/136000263.db2.gz DTWUPVKUAKKDMH-UHFFFAOYSA-N 0 1 238.331 2.044 20 0 BEADMN CCN(Cc1ccccc1C)C1COC1 ZINC000347736709 136004520 /nfs/dbraw/zinc/00/45/20/136004520.db2.gz SHGPXZMAKFLNSS-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C=C[C@@H](CO)C2)o1 ZINC000347771361 136008970 /nfs/dbraw/zinc/00/89/70/136008970.db2.gz CZHBVSHWOGBZHM-NMKXLXIOSA-N 0 1 247.338 2.430 20 0 BEADMN Cc1nn(C)c(C)c1CCNc1cc(C)ccn1 ZINC000347750626 136011674 /nfs/dbraw/zinc/01/16/74/136011674.db2.gz IAYLETYLNVWBHJ-UHFFFAOYSA-N 0 1 244.342 2.395 20 0 BEADMN CC(C)n1cc(CN(C)CC2CCCC2)nn1 ZINC000347849302 136012584 /nfs/dbraw/zinc/01/25/84/136012584.db2.gz RUXMMUJRDZBZRH-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC000347910529 136015958 /nfs/dbraw/zinc/01/59/58/136015958.db2.gz ANJABRSLQFFUSU-GFCCVEGCSA-N 0 1 236.363 2.337 20 0 BEADMN CCN(Cc1cn(C(C)C)nn1)CC1CC1 ZINC000347872446 136016837 /nfs/dbraw/zinc/01/68/37/136016837.db2.gz HTCHZNWZNOPGJI-UHFFFAOYSA-N 0 1 222.336 2.091 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1ccc2occc2c1 ZINC000347877040 136017162 /nfs/dbraw/zinc/01/71/62/136017162.db2.gz YHTGYMURUAVRHG-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN O=C(N[C@H]1CC[C@@H](F)C1)c1n[nH]c2ccccc21 ZINC000335315216 136024381 /nfs/dbraw/zinc/02/43/81/136024381.db2.gz CQPNERBYLWYMMZ-BDAKNGLRSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1ncc(C[N@H+]2CCOCC3(CC3)C2)s1 ZINC000335315632 136024617 /nfs/dbraw/zinc/02/46/17/136024617.db2.gz LSUMNKHXVRLPFZ-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1ncc(CN2CCOCC3(CC3)C2)s1 ZINC000335315632 136024618 /nfs/dbraw/zinc/02/46/18/136024618.db2.gz LSUMNKHXVRLPFZ-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1nccc(N2CC[C@@H](C(N)=O)C2)c1Cl ZINC000335309496 136028015 /nfs/dbraw/zinc/02/80/15/136028015.db2.gz WIFQUHFOFMAYJA-MRVPVSSYSA-N 0 1 239.706 2.405 20 0 BEADMN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CC1(C)C ZINC000335310558 136029116 /nfs/dbraw/zinc/02/91/16/136029116.db2.gz IFWXQOKEQWECLO-LLVKDONJSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC12CCC2 ZINC000335311300 136029827 /nfs/dbraw/zinc/02/98/27/136029827.db2.gz BVADSHUCSHBAPL-RYUDHWBXSA-N 0 1 246.358 2.344 20 0 BEADMN CCCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CC1 ZINC000335314525 136031840 /nfs/dbraw/zinc/03/18/40/136031840.db2.gz DCPXQTSQHXTRKX-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@H]1[N@@H+](Cc2cncn2C)CC1(C)C ZINC000335320003 136034231 /nfs/dbraw/zinc/03/42/31/136034231.db2.gz AWZIPEFLWIIIJV-GFCCVEGCSA-N 0 1 221.348 2.287 20 0 BEADMN CN(C)CC(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000348086189 136034798 /nfs/dbraw/zinc/03/47/98/136034798.db2.gz YBUSVJVCVOKIQQ-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](Cc1ccoc1)[NH2+]Cc1ncccc1[O-] ZINC000348095441 136035755 /nfs/dbraw/zinc/03/57/55/136035755.db2.gz IVXJLHXIYZGJHH-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccccn1 ZINC000348155386 136040541 /nfs/dbraw/zinc/04/05/41/136040541.db2.gz YGPILXGVZSEGEI-QXFUBDJGSA-N 0 1 212.243 2.386 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCC[C@@H]2c2cc[nH]n2)O1 ZINC000348155047 136040735 /nfs/dbraw/zinc/04/07/35/136040735.db2.gz XRVFQKFSEVPEKF-NTZNESFSSA-N 0 1 235.331 2.114 20 0 BEADMN Cn1ccnc1CN1CCCC2(CCC2)C1 ZINC000348168052 136042063 /nfs/dbraw/zinc/04/20/63/136042063.db2.gz KYJRCYGUKZVSCA-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN CC[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335339698 136045568 /nfs/dbraw/zinc/04/55/68/136045568.db2.gz WWIKUFUZGFWFEM-WDEREUQCSA-N 0 1 247.342 2.231 20 0 BEADMN OC[C@@H]1C=C[C@H](NCc2sccc2Cl)C1 ZINC000348218984 136046452 /nfs/dbraw/zinc/04/64/52/136046452.db2.gz GZJFNVDBCUTQRT-BDAKNGLRSA-N 0 1 243.759 2.428 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cn(C(C)C)nn1 ZINC000348191985 136049256 /nfs/dbraw/zinc/04/92/56/136049256.db2.gz IQRSTCBJYWJELB-WCQYABFASA-N 0 1 236.363 2.479 20 0 BEADMN CCCCOCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348238744 136061518 /nfs/dbraw/zinc/06/15/18/136061518.db2.gz ZFPVYRYCEDHGTE-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc2cc[nH]c21 ZINC000335340263 136063516 /nfs/dbraw/zinc/06/35/16/136063516.db2.gz QMRXFGZBYZKWMN-STQMWFEESA-N 0 1 248.301 2.073 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1cccc2cc[nH]c21 ZINC000335340263 136063517 /nfs/dbraw/zinc/06/35/17/136063517.db2.gz QMRXFGZBYZKWMN-STQMWFEESA-N 0 1 248.301 2.073 20 0 BEADMN Cc1cccc(CCN2CCO[C@H]3CCC[C@H]32)n1 ZINC000335367557 136082203 /nfs/dbraw/zinc/08/22/03/136082203.db2.gz VVGAXQJGYHEWET-CABCVRRESA-N 0 1 246.354 2.186 20 0 BEADMN C[C@@H]1CN(C(=O)C2=CCCCC2)[C@@H](C)CN1C ZINC000335371497 136083757 /nfs/dbraw/zinc/08/37/57/136083757.db2.gz JGXNPRLLGZESFL-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1ccc(F)cc1CN1CC(C)(C(N)=O)C1 ZINC000335396103 136092759 /nfs/dbraw/zinc/09/27/59/136092759.db2.gz PTBLRMMXWZUASM-UHFFFAOYSA-N 0 1 236.290 2.491 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cnns1 ZINC000335570358 136109583 /nfs/dbraw/zinc/10/95/83/136109583.db2.gz LPMDFWOHIOURPJ-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cnns2)[C@@H]1C ZINC000335571669 136109677 /nfs/dbraw/zinc/10/96/77/136109677.db2.gz YCZSAJXHGFPVJB-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CCCN(Cc2cnns2)[C@@H]1C ZINC000335571669 136109678 /nfs/dbraw/zinc/10/96/78/136109678.db2.gz YCZSAJXHGFPVJB-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN FC1(F)CCC[C@H](N[C@H]2CCn3ccnc32)C1 ZINC000335572653 136109958 /nfs/dbraw/zinc/10/99/58/136109958.db2.gz OJDBUCHITOAPPH-UWVGGRQHSA-N 0 1 241.285 2.495 20 0 BEADMN C[C@@H](C(N)=O)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000335572354 136109972 /nfs/dbraw/zinc/10/99/72/136109972.db2.gz GDKKSTAYMGZWGQ-ONGXEEELSA-N 0 1 228.361 2.129 20 0 BEADMN C[C@H](C(N)=O)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335572353 136110075 /nfs/dbraw/zinc/11/00/75/136110075.db2.gz GDKKSTAYMGZWGQ-MWLCHTKSSA-N 0 1 228.361 2.129 20 0 BEADMN FC1(F)CCC[C@H](N[C@@H]2CCn3ccnc32)C1 ZINC000335572654 136110105 /nfs/dbraw/zinc/11/01/05/136110105.db2.gz OJDBUCHITOAPPH-VHSXEESVSA-N 0 1 241.285 2.495 20 0 BEADMN CC(C)n1cc(CN(C)[C@H]2CCCOC2)cn1 ZINC000348702007 136116256 /nfs/dbraw/zinc/11/62/56/136116256.db2.gz DKAXHFVAVZOMNZ-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001646325256 1172731737 /nfs/dbraw/zinc/73/17/37/1172731737.db2.gz JZFZLVLUEITILG-PJXYFTJBSA-N 0 1 247.342 2.025 20 0 BEADMN CC(C)[C@@H](O)CCNCc1c(F)cccc1F ZINC001647018816 1172748595 /nfs/dbraw/zinc/74/85/95/1172748595.db2.gz BTDMBTVQKBGRJA-ZDUSSCGKSA-N 0 1 243.297 2.461 20 0 BEADMN Cc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1 ZINC000155532658 397752705 /nfs/dbraw/zinc/75/27/05/397752705.db2.gz IGYWIRZCFGOVPI-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN CCC[C@@H](NCc1cnn(C)c1)c1cccnc1 ZINC000185112881 397871544 /nfs/dbraw/zinc/87/15/44/397871544.db2.gz XDLAPZUDUWZALI-CQSZACIVSA-N 0 1 244.342 2.446 20 0 BEADMN CN(Cc1cnc(C2CC2)o1)CC(C)(C)CO ZINC000628298255 397882973 /nfs/dbraw/zinc/88/29/73/397882973.db2.gz ZKAOTUFHJCOEHT-UHFFFAOYSA-N 0 1 238.331 2.002 20 0 BEADMN Cc1ncc(CN2CCC(OC(C)C)CC2)o1 ZINC000201060745 397930402 /nfs/dbraw/zinc/93/04/02/397930402.db2.gz MWPMULMNNWPRQJ-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN C[C@H](N(C)Cc1cc2n(n1)CCC2)C1(C)CC1 ZINC000649549447 397941830 /nfs/dbraw/zinc/94/18/30/397941830.db2.gz GMSPTGNFIWMFRS-NSHDSACASA-N 0 1 233.359 2.450 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1CCC1(C)C ZINC000336725003 397966412 /nfs/dbraw/zinc/96/64/12/397966412.db2.gz ZUDZFKWBQVMBHE-SNVBAGLBSA-N 0 1 237.299 2.344 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CC(C)(C)C)[C@@H](C)CN1C ZINC000650145069 397943292 /nfs/dbraw/zinc/94/32/92/397943292.db2.gz DYEJGAKIPQNLQD-QJPTWQEYSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)C1CCCC1 ZINC000650145022 397943541 /nfs/dbraw/zinc/94/35/41/397943541.db2.gz CZSQZUQYHKSGSA-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650145281 397943682 /nfs/dbraw/zinc/94/36/82/397943682.db2.gz IJAGOAVSQPYFEH-UTUOFQBUSA-N 0 1 226.364 2.116 20 0 BEADMN CC(C)N(C)Cc1cc2n(n1)CCCC2 ZINC000649551428 397945612 /nfs/dbraw/zinc/94/56/12/397945612.db2.gz YRYUSVCIUNGLNZ-UHFFFAOYSA-N 0 1 207.321 2.060 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CC2CCC2)[C@@H](C)CN1C ZINC000650152559 397945838 /nfs/dbraw/zinc/94/58/38/397945838.db2.gz GUMXAUZAZGDVDE-TUAOUCFPSA-N 0 1 238.375 2.116 20 0 BEADMN CSCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000592386142 397948477 /nfs/dbraw/zinc/94/84/77/397948477.db2.gz WLGVITGVTCJOJW-SNVBAGLBSA-N 0 1 239.388 2.233 20 0 BEADMN CO[C@H]1CCN(Cc2ccccc2F)C1 ZINC000267703287 397949088 /nfs/dbraw/zinc/94/90/88/397949088.db2.gz UZZCIGFGCLKZSV-NSHDSACASA-N 0 1 209.264 2.046 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@@H](C)C(C)C)n1 ZINC000268225970 397950091 /nfs/dbraw/zinc/95/00/91/397950091.db2.gz NNMOIBFUAXBTFC-JTQLQIEISA-N 0 1 237.347 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H](C)C(C)C)n1 ZINC000268225970 397950093 /nfs/dbraw/zinc/95/00/93/397950093.db2.gz NNMOIBFUAXBTFC-JTQLQIEISA-N 0 1 237.347 2.221 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@@H]2C2CCC2)co1 ZINC000187614201 397951156 /nfs/dbraw/zinc/95/11/56/397951156.db2.gz VVPSPGUWEYPVST-CYBMUJFWSA-N 0 1 248.326 2.143 20 0 BEADMN CO[C@@H]([C@H](C)NCc1nccs1)C1CC1 ZINC000388308925 397956800 /nfs/dbraw/zinc/95/68/00/397956800.db2.gz QWCVSVYJMYTYIF-KWQFWETISA-N 0 1 226.345 2.046 20 0 BEADMN c1nc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)co1 ZINC000192326891 397893512 /nfs/dbraw/zinc/89/35/12/397893512.db2.gz UZTFVBSWHHQKNC-ZNMIVQPWSA-N 0 1 240.306 2.350 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(F)cn1 ZINC000192683546 397895327 /nfs/dbraw/zinc/89/53/27/397895327.db2.gz UKFJBRWHFPSJDJ-UHFFFAOYSA-N 0 1 248.261 2.320 20 0 BEADMN c1c(CN2CC[C@H](C3CC3)C2)nn2c1CCCC2 ZINC000649571223 397961935 /nfs/dbraw/zinc/96/19/35/397961935.db2.gz CQYDDLWMIAJOCZ-ZDUSSCGKSA-N 0 1 245.370 2.451 20 0 BEADMN Cc1nnc([C@H](C)N(C)CC2CCC2)o1 ZINC000111295970 397907209 /nfs/dbraw/zinc/90/72/09/397907209.db2.gz HDMQVQRZZQJKRL-QMMMGPOBSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H](NCC(F)(F)CO)[C@@H]1CC2CCC1CC2 ZINC000382188070 397920215 /nfs/dbraw/zinc/92/02/15/397920215.db2.gz QYXRAYOCYMEINS-YYJSSNLHSA-N 0 1 247.329 2.418 20 0 BEADMN CC1(C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000530608716 397992864 /nfs/dbraw/zinc/99/28/64/397992864.db2.gz ADBBIRJCAYBCKV-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN NC1(c2noc([C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)CCC1 ZINC000650228026 397998067 /nfs/dbraw/zinc/99/80/67/397998067.db2.gz RBFNCKKSJQCUFN-OUAUKWLOSA-N 0 1 245.326 2.477 20 0 BEADMN COc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cn1 ZINC000372340136 398002264 /nfs/dbraw/zinc/00/22/64/398002264.db2.gz QQGUXHDDKKLKRG-ZDUSSCGKSA-N 0 1 232.327 2.322 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C)cc2)no1 ZINC000054053151 398019702 /nfs/dbraw/zinc/01/97/02/398019702.db2.gz YVLYAGBCRHBQHJ-SECBINFHSA-N 0 1 217.272 2.325 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)cc2)no1 ZINC000054053152 398020084 /nfs/dbraw/zinc/02/00/84/398020084.db2.gz YVLYAGBCRHBQHJ-VIFPVBQESA-N 0 1 217.272 2.325 20 0 BEADMN Cc1cn[nH]c1CN1Cc2cccc(F)c2C1 ZINC000334793262 398037459 /nfs/dbraw/zinc/03/74/59/398037459.db2.gz XIRMZNBGHOUXQN-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN CCCC[C@@H](CC)CNc1ccncc1C(N)=O ZINC000582638527 398041269 /nfs/dbraw/zinc/04/12/69/398041269.db2.gz ANAMXEWOFXKFKK-LLVKDONJSA-N 0 1 249.358 2.231 20 0 BEADMN C[C@@H](O)CCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451022521 397969909 /nfs/dbraw/zinc/96/99/09/397969909.db2.gz BLGGZKBOECKYFF-CYBMUJFWSA-N 0 1 246.354 2.332 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)OCCO2 ZINC000271604997 397969913 /nfs/dbraw/zinc/96/99/13/397969913.db2.gz ANLVQQYGQZSBKJ-VIFPVBQESA-N 0 1 225.263 2.078 20 0 BEADMN COc1ncccc1CN1CC[C@H](SC)C1 ZINC000451321897 397971814 /nfs/dbraw/zinc/97/18/14/397971814.db2.gz DNCRIGLQNCPTHY-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CC[C@H](SC)C1 ZINC000451324971 397972872 /nfs/dbraw/zinc/97/28/72/397972872.db2.gz MMTGKXHSDIFFKW-WDEREUQCSA-N 0 1 245.388 2.011 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000361324954 397974765 /nfs/dbraw/zinc/97/47/65/397974765.db2.gz JYARZMVDBLJPQD-UHFFFAOYSA-N 0 1 247.346 2.062 20 0 BEADMN C[C@]1(C(=O)NOCc2ccccc2)CCCOC1 ZINC000272613333 397980011 /nfs/dbraw/zinc/98/00/11/397980011.db2.gz ICQNPMJEIGENBB-AWEZNQCLSA-N 0 1 249.310 2.051 20 0 BEADMN Cc1nnsc1CN1CC(C)=C[C@H](C)C1 ZINC000649596368 397984852 /nfs/dbraw/zinc/98/48/52/397984852.db2.gz TVILKGRWUZVQBH-QMMMGPOBSA-N 0 1 223.345 2.245 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)[C@@H](CC)CO1 ZINC000649718269 398060060 /nfs/dbraw/zinc/06/00/60/398060060.db2.gz WOAAKGQQJZPJNT-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@H](C)CO1 ZINC000649734808 398070394 /nfs/dbraw/zinc/07/03/94/398070394.db2.gz ATBYCHFOPZZWES-UPJWGTAASA-N 0 1 241.375 2.443 20 0 BEADMN CO[C@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000284132989 398077170 /nfs/dbraw/zinc/07/71/70/398077170.db2.gz VPGFJAGPDFAVDR-CQSZACIVSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)CCC(C)C)[C@H](C)CO1 ZINC000649736425 398077550 /nfs/dbraw/zinc/07/75/50/398077550.db2.gz AJNWDHWYIODZCH-HZSPNIEDSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@@H]1CN(CCc2cccc(C)n2)[C@@H](C)CO1 ZINC000649736981 398078804 /nfs/dbraw/zinc/07/88/04/398078804.db2.gz OHDXPHRDHOPWLC-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN C1CC1[C@H]1C[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647145397 398086769 /nfs/dbraw/zinc/08/67/69/398086769.db2.gz VCFVGZZFQXZZMR-UTLUCORTSA-N 0 1 219.288 2.008 20 0 BEADMN CC(C)O[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000649703082 398051160 /nfs/dbraw/zinc/05/11/60/398051160.db2.gz TXJIOASALJVQKA-QWHCGFSZSA-N 0 1 249.358 2.427 20 0 BEADMN CCC[C@H](CC)NC(=O)c1oc(CN)cc1C ZINC000637960421 398054635 /nfs/dbraw/zinc/05/46/35/398054635.db2.gz JKPQTAPAOPNLLD-JTQLQIEISA-N 0 1 238.331 2.355 20 0 BEADMN C[C@H]1OCC[C@]12CN(Cc1ccccc1)CCO2 ZINC000280516006 398056660 /nfs/dbraw/zinc/05/66/60/398056660.db2.gz ROWYRTZUOFIPLL-HIFRSBDPSA-N 0 1 247.338 2.066 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCNC[C@@H]1C(C)C ZINC000638489979 398100031 /nfs/dbraw/zinc/10/00/31/398100031.db2.gz RUUZGXRPJBRZHF-YNEHKIRRSA-N 0 1 240.391 2.125 20 0 BEADMN CC(C)n1cncc1C[N@@H+]1CC=CCC1 ZINC000644902196 398100337 /nfs/dbraw/zinc/10/03/37/398100337.db2.gz YTUFGRYOPIJCAJ-UHFFFAOYSA-N 0 1 205.305 2.226 20 0 BEADMN CC(C)n1cncc1CN1CC=CCC1 ZINC000644902196 398100340 /nfs/dbraw/zinc/10/03/40/398100340.db2.gz YTUFGRYOPIJCAJ-UHFFFAOYSA-N 0 1 205.305 2.226 20 0 BEADMN CC(C)c1nc(CN2CCc3ccccc32)n[nH]1 ZINC000292227949 398103471 /nfs/dbraw/zinc/10/34/71/398103471.db2.gz RILABMZMIPIZTG-UHFFFAOYSA-N 0 1 242.326 2.491 20 0 BEADMN O=c1[nH]c(SCC2=CCCC2)nc2n[nH]cc21 ZINC000647157178 398103989 /nfs/dbraw/zinc/10/39/89/398103989.db2.gz OCJHNCVWMOKDGI-UHFFFAOYSA-N 0 1 248.311 2.261 20 0 BEADMN Cc1ccnc(NCCc2nccnc2C)c1 ZINC000292814576 398109140 /nfs/dbraw/zinc/10/91/40/398109140.db2.gz OLDYIBYQPSEVRI-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+]C2(C3CCC3)CC2)n1 ZINC000649811063 398117877 /nfs/dbraw/zinc/11/78/77/398117877.db2.gz DJMQNEFWXGOZPP-JTQLQIEISA-N 0 1 247.342 2.474 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC)CC(C)(C)C ZINC000361519091 171323952 /nfs/dbraw/zinc/32/39/52/171323952.db2.gz LTJWVEWCWYQTPN-NSHDSACASA-N 0 1 228.380 2.269 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCC3)no2)oc1C ZINC000334839225 398111116 /nfs/dbraw/zinc/11/11/16/398111116.db2.gz ZITURSVILIWHBT-UHFFFAOYSA-N 0 1 233.271 2.284 20 0 BEADMN CC(C)c1nnc(CNC2(C3CCC3)CC2)[nH]1 ZINC000649811464 398115275 /nfs/dbraw/zinc/11/52/75/398115275.db2.gz SNFMXNGUQIKWOZ-UHFFFAOYSA-N 0 1 234.347 2.350 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H](C)c2ccccc2)nn1 ZINC000384990704 398124324 /nfs/dbraw/zinc/12/43/24/398124324.db2.gz VDQXLIZAIJRGLQ-VXGBXAGGSA-N 0 1 244.342 2.362 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1ncccc1Cl ZINC000528516581 398124497 /nfs/dbraw/zinc/12/44/97/398124497.db2.gz KSECKMWLQCIOJT-NSHDSACASA-N 0 1 240.734 2.392 20 0 BEADMN C[C@@H](NC[C@H](O)C1CCCCC1)c1ccon1 ZINC000355316055 398124880 /nfs/dbraw/zinc/12/48/80/398124880.db2.gz NFGWEFQXUUQCEV-MFKMUULPSA-N 0 1 238.331 2.266 20 0 BEADMN CC[C@H](N[C@H](C)c1ccccn1)[C@H](O)C(F)F ZINC000295049911 398131732 /nfs/dbraw/zinc/13/17/32/398131732.db2.gz NIJPOEYHPQKLEK-YWVKMMECSA-N 0 1 244.285 2.137 20 0 BEADMN COC[C@]1(C)CCN(Cc2nc(C)cs2)C1 ZINC000294330192 398125733 /nfs/dbraw/zinc/12/57/33/398125733.db2.gz XNLBRUNUCKVVPH-GFCCVEGCSA-N 0 1 240.372 2.310 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C2(CCC2)CO1 ZINC000649823824 398126063 /nfs/dbraw/zinc/12/60/63/398126063.db2.gz OPFWSRMLNURTLC-CHWSQXEVSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccncc1C ZINC000294628048 398128967 /nfs/dbraw/zinc/12/89/67/398128967.db2.gz ZXWKNRJJXFKDFZ-JSGCOSHPSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccncc1C ZINC000294628048 398128973 /nfs/dbraw/zinc/12/89/73/398128973.db2.gz ZXWKNRJJXFKDFZ-JSGCOSHPSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCSC[C@H]1C ZINC000294656721 398129762 /nfs/dbraw/zinc/12/97/62/398129762.db2.gz BUWPWODTKZXZAK-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN Cc1cnccc1CN1CCSC[C@H]1C ZINC000294656721 398129764 /nfs/dbraw/zinc/12/97/64/398129764.db2.gz BUWPWODTKZXZAK-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CC/C=C/CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000296388415 398123210 /nfs/dbraw/zinc/12/32/10/398123210.db2.gz JZVURHUUMFDPJL-XKFHPXPTSA-N 0 1 205.305 2.445 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1(CCF)CC1 ZINC000572328968 398133866 /nfs/dbraw/zinc/13/38/66/398133866.db2.gz RKBMAWOQMJQRCL-UHFFFAOYSA-N 0 1 248.261 2.036 20 0 BEADMN CC/C(C)=C/C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000295520157 398134293 /nfs/dbraw/zinc/13/42/93/398134293.db2.gz RYEXRJATYHTSIV-DJYGCBNOSA-N 0 1 233.315 2.260 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)C2CCC2)n1 ZINC000336711400 398134367 /nfs/dbraw/zinc/13/43/67/398134367.db2.gz RDUUBDHFZBXSAI-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)C2CCC2)n1 ZINC000336711400 398134373 /nfs/dbraw/zinc/13/43/73/398134373.db2.gz RDUUBDHFZBXSAI-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN CCc1cc(=O)[nH]c(CN(CC)C2CCC2)n1 ZINC000336711400 398134376 /nfs/dbraw/zinc/13/43/76/398134376.db2.gz RDUUBDHFZBXSAI-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN Cc1coc(C(=O)Nc2ccc3cncn3c2)c1 ZINC001647940727 1172780421 /nfs/dbraw/zinc/78/04/21/1172780421.db2.gz GPZDKBLOKVEEAE-UHFFFAOYSA-N 0 1 241.250 2.488 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H]1C1CC1 ZINC000362023441 167021102 /nfs/dbraw/zinc/02/11/02/167021102.db2.gz ODVDBPBSYMSZOD-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H](C)n3ccnc32)O1 ZINC000398185407 322865671 /nfs/dbraw/zinc/86/56/71/322865671.db2.gz UYQITXOZMKXYRV-DDHJBXDOSA-N 0 1 235.331 2.046 20 0 BEADMN CCc1cccc(NC(=O)c2[nH]cnc2C)c1O ZINC001648129737 1172800329 /nfs/dbraw/zinc/80/03/29/1172800329.db2.gz OEWNTGUMFATRCV-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCOC(=O)[C@@H](CC1CC1)NC[Si](C)(C)C ZINC001648237592 1172811894 /nfs/dbraw/zinc/81/18/94/1172811894.db2.gz GYUUBMQGOCHMPE-LLVKDONJSA-N 0 1 243.423 2.185 20 0 BEADMN CC1(C)C(C)(C)C1(C)NC(=O)CN1CCCC1 ZINC001648362880 1172826707 /nfs/dbraw/zinc/82/67/07/1172826707.db2.gz LEUPOVNQYVRSKY-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc([C@@H]2CCCCN2Cc2cc[nH]n2)n[nH]1 ZINC001648433416 1172831545 /nfs/dbraw/zinc/83/15/45/1172831545.db2.gz KDJGBWHSEVNQAB-ZDUSSCGKSA-N 0 1 245.330 2.168 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])cn1 ZINC000094762163 487558658 /nfs/dbraw/zinc/55/86/58/487558658.db2.gz HSOIIMGXYWQESY-JTQLQIEISA-N 0 1 236.315 2.400 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](OCC)C1 ZINC000227882465 487561603 /nfs/dbraw/zinc/56/16/03/487561603.db2.gz XOJGWEIUOPFATR-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)n1c(CNC[C@@H](C)O)nc2ccccc21 ZINC001648700676 1172866317 /nfs/dbraw/zinc/86/63/17/1172866317.db2.gz AOQLUYMDGCWRED-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)OC(=O)c1cc2[nH]cnc2cc1F ZINC000335108532 167171357 /nfs/dbraw/zinc/17/13/57/167171357.db2.gz ATCLSEMXMYFGMP-UHFFFAOYSA-N 0 1 222.219 2.267 20 0 BEADMN CC1(C)C[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000225424904 487573068 /nfs/dbraw/zinc/57/30/68/487573068.db2.gz OPLCEFUAQLUGML-SFYZADRCSA-N 0 1 207.277 2.008 20 0 BEADMN CCCn1cc(CN[C@@H](C)c2cn[nH]c2)c(C)n1 ZINC001650888219 1172907626 /nfs/dbraw/zinc/90/76/26/1172907626.db2.gz RWXUNGMOACLFQT-JTQLQIEISA-N 0 1 247.346 2.175 20 0 BEADMN CC(C)OCCCN(C)Cc1cncc(F)c1 ZINC000275108900 167210283 /nfs/dbraw/zinc/21/02/83/167210283.db2.gz FXODUEYDVDZOJL-UHFFFAOYSA-N 0 1 240.322 2.468 20 0 BEADMN Cc1noc([C@H](C)N2C[C@H](C)[C@@H](C)C2)n1 ZINC000674458741 487578025 /nfs/dbraw/zinc/57/80/25/487578025.db2.gz JJOOCLOYDDYGDD-CIUDSAMLSA-N 0 1 209.293 2.027 20 0 BEADMN c1csc(CNc2cccc3[nH]nnc32)n1 ZINC001651096398 1172922840 /nfs/dbraw/zinc/92/28/40/1172922840.db2.gz CYTIEZKJKKDBHU-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN CC(C)c1ccccc1NC(=O)N1CCNCC1 ZINC000041299482 322907454 /nfs/dbraw/zinc/90/74/54/322907454.db2.gz OYSCQHULLQFGJQ-UHFFFAOYSA-N 0 1 247.342 2.247 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228075320 487582945 /nfs/dbraw/zinc/58/29/45/487582945.db2.gz ADWRKTSXQWBLNP-YPMHNXCESA-N 0 1 234.343 2.300 20 0 BEADMN CO[C@H](CN[C@H]1CCn2ccnc21)C1CCCC1 ZINC000658315173 487583965 /nfs/dbraw/zinc/58/39/65/487583965.db2.gz MLBLPMCTDOZIJE-QWHCGFSZSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccoc1 ZINC000556434742 322912443 /nfs/dbraw/zinc/91/24/43/322912443.db2.gz UEQSXPNMGXXVIL-WCFLWFBJSA-N 0 1 248.326 2.084 20 0 BEADMN CC(C)CC[N@@H+](CCC(=O)[O-])C(C)C ZINC000037654542 487585506 /nfs/dbraw/zinc/58/55/06/487585506.db2.gz BNMHBXJFIGKVQF-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN O=C(NCCC[C@@H]1C=CCC1)c1[nH]ncc1F ZINC001651304217 1172942970 /nfs/dbraw/zinc/94/29/70/1172942970.db2.gz BLBSDQORITYYPI-SECBINFHSA-N 0 1 237.278 2.025 20 0 BEADMN CC(C)O[C@@H]1C[C@H](NCc2ncc[nH]2)C1(C)C ZINC000361901228 167281279 /nfs/dbraw/zinc/28/12/79/167281279.db2.gz QVZDIBZVRIUFNT-WDEREUQCSA-N 0 1 237.347 2.091 20 0 BEADMN CCCn1nccc1CN(C)[C@@H]1CCSC1 ZINC000667499569 487597620 /nfs/dbraw/zinc/59/76/20/487597620.db2.gz OQKXVBBBWNNYEO-GFCCVEGCSA-N 0 1 239.388 2.230 20 0 BEADMN C[C@@H](O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000531276568 487600990 /nfs/dbraw/zinc/60/09/90/487600990.db2.gz PNVHJBOSTJVZGP-RKDXNWHRSA-N 0 1 249.339 2.333 20 0 BEADMN Cc1cc(CNC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000674667755 487603328 /nfs/dbraw/zinc/60/33/28/487603328.db2.gz MOPGDOYBYWMDMN-UHFFFAOYSA-N 0 1 237.347 2.407 20 0 BEADMN Fc1cc(CSc2cn[nH]n2)cnc1Cl ZINC001651834160 1172992492 /nfs/dbraw/zinc/99/24/92/1172992492.db2.gz QJHLPULLDZLGHR-UHFFFAOYSA-N 0 1 244.682 2.285 20 0 BEADMN C[C@@H](CO)CN(C)Cc1ccc(F)cc1F ZINC000674694216 487607301 /nfs/dbraw/zinc/60/73/01/487607301.db2.gz DZEJMQDWEISCQC-SECBINFHSA-N 0 1 229.270 2.025 20 0 BEADMN CCCN(Cc1ncccc1F)CC(C)(C)O ZINC001651919232 1173007524 /nfs/dbraw/zinc/00/75/24/1173007524.db2.gz HPRCNOOSYTZUFS-UHFFFAOYSA-N 0 1 240.322 2.204 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H]2COC(C)(C)C2)nc1 ZINC000660683367 409544357 /nfs/dbraw/zinc/54/43/57/409544357.db2.gz CCYPOUDFTAGNBI-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1ccc(CN(C)[C@H]2COC(C)(C)C2)nc1 ZINC000660683367 409544364 /nfs/dbraw/zinc/54/43/64/409544364.db2.gz CCYPOUDFTAGNBI-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)co1 ZINC000660700805 409580281 /nfs/dbraw/zinc/58/02/81/409580281.db2.gz MLPUYNCAZYBASM-XQQFMLRXSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1nnc([C@H](C)N(C)C[C@@H]2CC2(C)C)o1 ZINC000662346984 409659566 /nfs/dbraw/zinc/65/95/66/409659566.db2.gz GYYTXKVHWZZXDL-WPRPVWTQSA-N 0 1 223.320 2.417 20 0 BEADMN CC(C)(C)n1cc(CNC2(C3CCC3)CC2)nn1 ZINC000651958575 409686371 /nfs/dbraw/zinc/68/63/71/409686371.db2.gz GXKJLDXIDCJJPB-UHFFFAOYSA-N 0 1 248.374 2.455 20 0 BEADMN CC[C@@H](NCc1c[nH]nn1)c1ccccc1F ZINC000398297037 487611077 /nfs/dbraw/zinc/61/10/77/487611077.db2.gz OVXRGAPGJVKRCM-GFCCVEGCSA-N 0 1 234.278 2.185 20 0 BEADMN Cc1ccccc1[C@H](C)[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660848904 409859710 /nfs/dbraw/zinc/85/97/10/409859710.db2.gz RNNXFGGTCMOLFR-JTQLQIEISA-N 0 1 247.298 2.277 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000308942026 409964535 /nfs/dbraw/zinc/96/45/35/409964535.db2.gz SKPGPRVWNYKPKF-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN c1cn2c(n1)[C@@H](NCCOCC1CCCC1)CC2 ZINC000313310788 410035810 /nfs/dbraw/zinc/03/58/10/410035810.db2.gz WTBWWDZVHBHHRE-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN Cc1cccc(CN(C)Cc2cn[nH]c2)c1 ZINC000674753182 487612829 /nfs/dbraw/zinc/61/28/29/487612829.db2.gz XUHZHUPSJRJQFX-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN Cc1oc(C[N@H+]2CC3CC2(C)C3)cc1C(=O)[O-] ZINC000663314869 410108276 /nfs/dbraw/zinc/10/82/76/410108276.db2.gz BMFLBNZNVOKEEG-UHFFFAOYSA-N 0 1 235.283 2.271 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1ccccc1C(=O)[O-] ZINC000663315181 410108421 /nfs/dbraw/zinc/10/84/21/410108421.db2.gz DTOYSQNDHLAQEJ-UHFFFAOYSA-N 0 1 231.295 2.369 20 0 BEADMN CCc1coc(NC(=O)c2c[nH]nc2C(C)C)n1 ZINC000655398118 410199821 /nfs/dbraw/zinc/19/98/21/410199821.db2.gz XVEBABGNBALODL-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCCCCF ZINC000309138562 410260882 /nfs/dbraw/zinc/26/08/82/410260882.db2.gz SUIMSTJQVFXSOD-JTQLQIEISA-N 0 1 249.351 2.018 20 0 BEADMN Cc1ccc(C(C)(C)NCc2cn[nH]c2)cn1 ZINC000680545747 487614644 /nfs/dbraw/zinc/61/46/44/487614644.db2.gz KDCKECNQPYGEIM-UHFFFAOYSA-N 0 1 230.315 2.138 20 0 BEADMN c1nc(CN[C@H]2CNc3ccccc3C2)cs1 ZINC000650716671 410350068 /nfs/dbraw/zinc/35/00/68/410350068.db2.gz GJYIOOHMCAGXPE-LLVKDONJSA-N 0 1 245.351 2.270 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001652008979 1173023565 /nfs/dbraw/zinc/02/35/65/1173023565.db2.gz VIKUYOLMTACEFW-UWVGGRQHSA-N 0 1 244.285 2.086 20 0 BEADMN CC[C@@H](O)CCCN[C@H](C)c1nccs1 ZINC000130173492 410395400 /nfs/dbraw/zinc/39/54/00/410395400.db2.gz VWCYGWLPJSZGJS-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2cccnc2o1 ZINC000650805499 410511464 /nfs/dbraw/zinc/51/14/64/410511464.db2.gz BUHOTSWZYSAKBX-LLVKDONJSA-N 0 1 248.282 2.123 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000308786276 410745901 /nfs/dbraw/zinc/74/59/01/410745901.db2.gz GGCVBOWZXKTACA-ZJUUUORDSA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@H]1CCCC[C@H]1CNC(=O)[C@H](C)N(C)C ZINC000651005413 410751248 /nfs/dbraw/zinc/75/12/48/410751248.db2.gz XMRINLKFWVPFGL-AVGNSLFASA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H](CNCc1nccn1C(F)F)OC ZINC000393930243 410765665 /nfs/dbraw/zinc/76/56/65/410765665.db2.gz IGKFFMZHDXYDAU-SECBINFHSA-N 0 1 247.289 2.183 20 0 BEADMN CC(C)c1cc(=O)n(Cc2ccccc2)[nH]1 ZINC000101753142 410795593 /nfs/dbraw/zinc/79/55/93/410795593.db2.gz BONPYVMYVGOVIX-UHFFFAOYSA-N 0 1 216.284 2.431 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000395005585 410834076 /nfs/dbraw/zinc/83/40/76/410834076.db2.gz JAWFCQBELLEINZ-DKCNOQQISA-N 0 1 226.345 2.107 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cs1 ZINC000395005590 410834250 /nfs/dbraw/zinc/83/42/50/410834250.db2.gz JAWFCQBELLEINZ-VAOFZXAKSA-N 0 1 226.345 2.107 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000227881406 487619003 /nfs/dbraw/zinc/61/90/03/487619003.db2.gz HMTUQMPOACJZKJ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C ZINC000103294634 410889348 /nfs/dbraw/zinc/88/93/48/410889348.db2.gz DNQAYCMRRHOLNG-VIFPVBQESA-N 0 1 202.257 2.354 20 0 BEADMN CC(C)CN[C@H](CO)c1c(F)cccc1F ZINC000038122116 167013331 /nfs/dbraw/zinc/01/33/31/167013331.db2.gz VCHOVTOECRQIJV-LLVKDONJSA-N 0 1 229.270 2.244 20 0 BEADMN CC(C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010470 167034727 /nfs/dbraw/zinc/03/47/27/167034727.db2.gz OCOJPGMIGYGORK-UHFFFAOYSA-N 0 1 205.257 2.109 20 0 BEADMN CC(C)(C)c1noc(C2(N)CCCC2)n1 ZINC000041032677 410904358 /nfs/dbraw/zinc/90/43/58/410904358.db2.gz PKXOTZJTKKSWLO-UHFFFAOYSA-N 0 1 209.293 2.095 20 0 BEADMN CC(C)NC(=O)CN[C@H](C)c1ccc(F)cc1 ZINC000035132956 167061096 /nfs/dbraw/zinc/06/10/96/167061096.db2.gz OBMOTESYWAHWCM-SNVBAGLBSA-N 0 1 238.306 2.001 20 0 BEADMN CC(C)OCCN(Cc1ccccn1)C1CC1 ZINC000181353967 167229204 /nfs/dbraw/zinc/22/92/04/167229204.db2.gz JWRBIWMYWTVDAV-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN CC(C)OCCN1Cc2ccccc2C1 ZINC000106305564 167237551 /nfs/dbraw/zinc/23/75/51/167237551.db2.gz YYHWDTNWYPOGPM-UHFFFAOYSA-N 0 1 205.301 2.427 20 0 BEADMN CC(C)OC[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000337304773 167264932 /nfs/dbraw/zinc/26/49/32/167264932.db2.gz QVDFIXCLXUOIEJ-RYUDHWBXSA-N 0 1 241.331 2.106 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CC2CCC1CC2 ZINC000378380005 167372760 /nfs/dbraw/zinc/37/27/60/167372760.db2.gz RMRDUKWCQNVIPK-PNESKVBLSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)[C@@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881395 167379220 /nfs/dbraw/zinc/37/92/20/167379220.db2.gz MNHBZAOJXSMANR-BXUZGUMPSA-N 0 1 234.343 2.021 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC(C)(C)C2)n[nH]1 ZINC000081352707 167559930 /nfs/dbraw/zinc/55/99/30/167559930.db2.gz ADYALYVCGYMUBE-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC(C)c1cnc(CN[C@@H](CO)CCF)s1 ZINC000652020115 411021026 /nfs/dbraw/zinc/02/10/26/411021026.db2.gz LBMNPFLGQOHDNI-SECBINFHSA-N 0 1 246.351 2.077 20 0 BEADMN CCC1CN(Cc2nn(C)c3ccccc23)C1 ZINC000651610244 411129944 /nfs/dbraw/zinc/12/99/44/411129944.db2.gz RMHBLOXBLRNVKZ-UHFFFAOYSA-N 0 1 229.327 2.415 20 0 BEADMN C[C@H]1CCCCC[C@H]1NCC(F)(F)CO ZINC000651764410 411142637 /nfs/dbraw/zinc/14/26/37/411142637.db2.gz XYDNQOFOKDHPQD-VHSXEESVSA-N 0 1 221.291 2.172 20 0 BEADMN Cc1nocc1CN1CCC[C@@H](OC(C)C)C1 ZINC000651897707 411149552 /nfs/dbraw/zinc/14/95/52/411149552.db2.gz IKKKIINZEUODHG-CYBMUJFWSA-N 0 1 238.331 2.372 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1Cc1c[nH]nc1C ZINC000651912331 411150344 /nfs/dbraw/zinc/15/03/44/411150344.db2.gz UDISXFZXJBVQPT-GFCCVEGCSA-N 0 1 237.347 2.108 20 0 BEADMN COc1cc(CN2CCC(C)(C)C2)sn1 ZINC000659974227 411152066 /nfs/dbraw/zinc/15/20/66/411152066.db2.gz GPTAFUOMQBQCJB-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2COC3(CCC3)C2)n1 ZINC000657889262 411154854 /nfs/dbraw/zinc/15/48/54/411154854.db2.gz JDRRHAVBSKNCMY-ZDUSSCGKSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@]1(O)CCN(Cc2nsc3ccccc32)C1 ZINC000659985622 411155809 /nfs/dbraw/zinc/15/58/09/411155809.db2.gz OOTWXQXXJNGWQW-CYBMUJFWSA-N 0 1 248.351 2.253 20 0 BEADMN CCc1cc(CN[C@@H]2COC3(CCC3)C2)on1 ZINC000657890459 411156086 /nfs/dbraw/zinc/15/60/86/411156086.db2.gz WQYRYXCGQCJULH-NSHDSACASA-N 0 1 236.315 2.038 20 0 BEADMN C[C@H](CCO)N(C)Cc1cccc(O)c1Cl ZINC000652049459 411096039 /nfs/dbraw/zinc/09/60/39/411096039.db2.gz HZUAOQDQMXPWEL-SECBINFHSA-N 0 1 243.734 2.248 20 0 BEADMN COc1ccc(F)c(CN(C)[C@@H](C)CCO)c1 ZINC000652049315 411096279 /nfs/dbraw/zinc/09/62/79/411096279.db2.gz DSYATWIRSNZTOR-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CCC1=NN(Cc2ccccc2)C(=O)[C@@H]1C ZINC000110454716 411099393 /nfs/dbraw/zinc/09/93/93/411099393.db2.gz NKZQQDNPRBTQBE-SNVBAGLBSA-N 0 1 216.284 2.431 20 0 BEADMN CCc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000110454716 411099395 /nfs/dbraw/zinc/09/93/95/411099395.db2.gz NKZQQDNPRBTQBE-SNVBAGLBSA-N 0 1 216.284 2.431 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cnc(C2CC2)s1 ZINC000652048854 411100581 /nfs/dbraw/zinc/10/05/81/411100581.db2.gz WHCSLKVMDBWGJK-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000043512347 411121097 /nfs/dbraw/zinc/12/10/97/411121097.db2.gz ZEQNUXKTEUADRB-BXUZGUMPSA-N 0 1 246.354 2.178 20 0 BEADMN CCc1nc([C@@H](C)N2CCC=C(C)C2)n[nH]1 ZINC000660462756 411172943 /nfs/dbraw/zinc/17/29/43/411172943.db2.gz SULMMNKFFAYFTH-SNVBAGLBSA-N 0 1 220.320 2.080 20 0 BEADMN C[C@H]1CC[N@@H+](CC2=CCCC2)[C@H](C(=O)[O-])C1 ZINC000401108548 411176084 /nfs/dbraw/zinc/17/60/84/411176084.db2.gz IKEQAJMSJVJREZ-JQWIXIFHSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2CCO)c(C)o1 ZINC000659879476 411177035 /nfs/dbraw/zinc/17/70/35/411177035.db2.gz UOGHACUTIFPMLG-LBPRGKRZSA-N 0 1 238.331 2.028 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)s1 ZINC000656100162 411178348 /nfs/dbraw/zinc/17/83/48/411178348.db2.gz GATZLDRDUXFBPU-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1oc(C[N@H+](C)C[C@@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000111733450 411178394 /nfs/dbraw/zinc/17/83/94/411178394.db2.gz AAOXGNJRFKXEQH-WPRPVWTQSA-N 0 1 237.299 2.374 20 0 BEADMN Cc1ccoc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656100902 411178460 /nfs/dbraw/zinc/17/84/60/411178460.db2.gz FBDVIAZETKMQNA-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN Cc1oc(C[N@H+](C)C[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000111733452 411178684 /nfs/dbraw/zinc/17/86/84/411178684.db2.gz AAOXGNJRFKXEQH-WCBMZHEXSA-N 0 1 237.299 2.374 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@H]12 ZINC000049704955 411243273 /nfs/dbraw/zinc/24/32/73/411243273.db2.gz PDQLCYUGAKSINV-NQBHXWOUSA-N 0 1 247.342 2.451 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000113675230 411244198 /nfs/dbraw/zinc/24/41/98/411244198.db2.gz TUZXEZAMOAGVFT-GXFFZTMASA-N 0 1 233.311 2.473 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc(F)cn1 ZINC000402086701 411195397 /nfs/dbraw/zinc/19/53/97/411195397.db2.gz YHYUTPXRHWJPPP-FXPVBKGRSA-N 0 1 224.279 2.049 20 0 BEADMN COc1ccc2c(c1)CN(CC[C@H]1CCOC1)C2 ZINC000653834172 411196516 /nfs/dbraw/zinc/19/65/16/411196516.db2.gz JSYGGAGWSDDCAZ-LBPRGKRZSA-N 0 1 247.338 2.437 20 0 BEADMN CC[C@@H](NCc1ccon1)[C@H]1CCCCO1 ZINC000653872885 411203381 /nfs/dbraw/zinc/20/33/81/411203381.db2.gz HURUOFCMNVRLTC-VXGBXAGGSA-N 0 1 224.304 2.112 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000658028647 411205688 /nfs/dbraw/zinc/20/56/88/411205688.db2.gz LGHGZIGUWPKIOL-NEPJUHHUSA-N 0 1 249.358 2.265 20 0 BEADMN COCc1cc(CN2CCC[C@@H]2C2CC2)no1 ZINC000656433144 411245790 /nfs/dbraw/zinc/24/57/90/411245790.db2.gz FOQUNHUGSAHTNS-CYBMUJFWSA-N 0 1 236.315 2.195 20 0 BEADMN C[C@H]1C[C@@H](NC2CC(C)(C)C2)c2ncnn21 ZINC000658102105 411246243 /nfs/dbraw/zinc/24/62/43/411246243.db2.gz NZDOPDHWYSBWPY-WCBMZHEXSA-N 0 1 220.320 2.062 20 0 BEADMN Cn1c(=O)[nH]nc1SCCC(C)(C)C1CC1 ZINC000655666092 411214283 /nfs/dbraw/zinc/21/42/83/411214283.db2.gz KPQKWJBVOIHCLM-UHFFFAOYSA-N 0 1 241.360 2.439 20 0 BEADMN C[C@@H](O)CN(Cc1cc(F)ccc1F)C1CC1 ZINC000653896884 411215071 /nfs/dbraw/zinc/21/50/71/411215071.db2.gz YTLXGYZPVKEDFT-SECBINFHSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)n1nccc1CN[C@@H](C)c1cn[nH]c1 ZINC000280150705 167794549 /nfs/dbraw/zinc/79/45/49/167794549.db2.gz FEAXTDLFNTUEKH-JTQLQIEISA-N 0 1 233.319 2.038 20 0 BEADMN CNC(C)(C)c1cn(Cc2ccc(C)cc2)nn1 ZINC000656433670 411246599 /nfs/dbraw/zinc/24/65/99/411246599.db2.gz WGOHRQASTILVHD-UHFFFAOYSA-N 0 1 244.342 2.089 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C[C@H](C)O)C2CC2)c1 ZINC000653903100 411219171 /nfs/dbraw/zinc/21/91/71/411219171.db2.gz DRCOULBDMVKIQZ-NSHDSACASA-N 0 1 237.318 2.479 20 0 BEADMN Cc1ccc(F)c(CN(C[C@H](C)O)C2CC2)c1 ZINC000653903100 411219176 /nfs/dbraw/zinc/21/91/76/411219176.db2.gz DRCOULBDMVKIQZ-NSHDSACASA-N 0 1 237.318 2.479 20 0 BEADMN C[N@@H+](Cc1ccsc1)CC1(C(=O)[O-])CC1 ZINC000652380397 411221707 /nfs/dbraw/zinc/22/17/07/411221707.db2.gz RTIWBXHSNDREAE-UHFFFAOYSA-N 0 1 225.313 2.045 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000652386708 411224355 /nfs/dbraw/zinc/22/43/55/411224355.db2.gz FPKOQGNDYFEUPJ-LLVKDONJSA-N 0 1 225.263 2.293 20 0 BEADMN CC[C@@H](N[C@H]1COC(C)(C)C1)c1ccn(C)n1 ZINC000658057879 411224833 /nfs/dbraw/zinc/22/48/33/411224833.db2.gz JWNJLMVHAMZJJK-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN COc1nccc(CN2CCC3(CCC3)CC2)n1 ZINC000648581551 411225855 /nfs/dbraw/zinc/22/58/55/411225855.db2.gz OQFBURRSYZDXGG-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN COC1(CCNCc2cscn2)CCC1 ZINC000293014286 411229917 /nfs/dbraw/zinc/22/99/17/411229917.db2.gz QCFBMRSOHICEFD-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN CCNCc1cn(Cc2c(C)cccc2C)nn1 ZINC000215704153 411235472 /nfs/dbraw/zinc/23/54/72/411235472.db2.gz DUTPFIQOQRPZPV-UHFFFAOYSA-N 0 1 244.342 2.053 20 0 BEADMN CC[C@H](COCC1CC1)N[C@H]1CCn2ccnc21 ZINC000658089771 411239394 /nfs/dbraw/zinc/23/93/94/411239394.db2.gz BANQWSMBVFFKPE-OLZOCXBDSA-N 0 1 249.358 2.123 20 0 BEADMN CC/C(C)=C/C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000295313504 167824085 /nfs/dbraw/zinc/82/40/85/167824085.db2.gz KWFUCLZGLZRREH-ZKXNXJMVSA-N 0 1 235.331 2.122 20 0 BEADMN CC[C@H](COCC1CC1)N[C@@H](C)c1cnccn1 ZINC000658090423 411241289 /nfs/dbraw/zinc/24/12/89/411241289.db2.gz IVELYDZSKAFEHA-WCQYABFASA-N 0 1 249.358 2.332 20 0 BEADMN CC(C)=CCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000660001416 411165698 /nfs/dbraw/zinc/16/56/98/411165698.db2.gz QKKPPQHXFTZDFH-CHWSQXEVSA-N 0 1 236.359 2.086 20 0 BEADMN CC(C)=CCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000660001419 411165937 /nfs/dbraw/zinc/16/59/37/411165937.db2.gz QKKPPQHXFTZDFH-STQMWFEESA-N 0 1 236.359 2.086 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)CCC(C)(C)C ZINC000653775908 411166315 /nfs/dbraw/zinc/16/63/15/411166315.db2.gz JRNQVTJHTPPIJX-JTQLQIEISA-N 0 1 236.363 2.488 20 0 BEADMN COc1cc(CN(C)CC(C)(C)OC)sn1 ZINC000660001984 411166919 /nfs/dbraw/zinc/16/69/19/411166919.db2.gz ZRKKJWXLQSXSMM-UHFFFAOYSA-N 0 1 244.360 2.009 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000086807676 411261626 /nfs/dbraw/zinc/26/16/26/411261626.db2.gz HEKKTALDEWXULD-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN CC(C)(C)n1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000656454472 411261859 /nfs/dbraw/zinc/26/18/59/411261859.db2.gz BYZKYEGGWJQZNR-LBPRGKRZSA-N 0 1 248.305 2.220 20 0 BEADMN C[C@H](NC/C=C\CO)c1cccc(F)c1F ZINC000658140580 411264893 /nfs/dbraw/zinc/26/48/93/411264893.db2.gz SROHYGISAZSWRO-XADBCAIWSA-N 0 1 227.254 2.164 20 0 BEADMN CN(Cc1ccccn1)C[C@]1(C)CCCCO1 ZINC001652168563 1173037897 /nfs/dbraw/zinc/03/78/97/1173037897.db2.gz YZGKUWDLXDAYBD-AWEZNQCLSA-N 0 1 234.343 2.473 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1cccc(F)c1 ZINC000656460226 411269730 /nfs/dbraw/zinc/26/97/30/411269730.db2.gz QZULTFRGRAFAIF-JTQLQIEISA-N 0 1 248.305 2.288 20 0 BEADMN CC[C@@H](c1ccccc1F)n1cc(CNC)nn1 ZINC000656460825 411270245 /nfs/dbraw/zinc/27/02/45/411270245.db2.gz WRULSAHBYSMYHM-ZDUSSCGKSA-N 0 1 248.305 2.136 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000659786647 411272255 /nfs/dbraw/zinc/27/22/55/411272255.db2.gz UPMZENFYZCPYHI-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H](C)c2cscn2)C1 ZINC000658160500 411274226 /nfs/dbraw/zinc/27/42/26/411274226.db2.gz FIOSWQAHWXKCQU-GUBZILKMSA-N 0 1 226.345 2.361 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000658161644 411274824 /nfs/dbraw/zinc/27/48/24/411274824.db2.gz NTDHNMFACOQGOH-FIQHERPVSA-N 0 1 235.331 2.046 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000658161873 411275409 /nfs/dbraw/zinc/27/54/09/411275409.db2.gz NTDHNMFACOQGOH-KKOKHZNYSA-N 0 1 235.331 2.046 20 0 BEADMN CC(C)=CCC[N@H+](C)C[C@H](O)C(F)(F)F ZINC000660169740 411278142 /nfs/dbraw/zinc/27/81/42/411278142.db2.gz AIOJXGAVDJHHSF-VIFPVBQESA-N 0 1 225.254 2.198 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000659790137 411279751 /nfs/dbraw/zinc/27/97/51/411279751.db2.gz XEBUGYAYNZPBGI-NWDGAFQWSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CC=CC1 ZINC000659789661 411280014 /nfs/dbraw/zinc/28/00/14/411280014.db2.gz TVMSXEOIXCXCBS-UHFFFAOYSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000659790141 411280036 /nfs/dbraw/zinc/28/00/36/411280036.db2.gz XEBUGYAYNZPBGI-RYUDHWBXSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC1CC=CC1 ZINC000659789633 411280063 /nfs/dbraw/zinc/28/00/63/411280063.db2.gz SNACEUHIWDYQHO-LBPRGKRZSA-N 0 1 225.332 2.384 20 0 BEADMN CCC[C@H](C)NCc1cc(COC)on1 ZINC000656469320 411280564 /nfs/dbraw/zinc/28/05/64/411280564.db2.gz MVGWJVHIGWCHOM-VIFPVBQESA-N 0 1 212.293 2.099 20 0 BEADMN c1cc(-c2nc3cnccc3[nH]2)n(CC2CC2)n1 ZINC000656485853 411282978 /nfs/dbraw/zinc/28/29/78/411282978.db2.gz RBFMSBPMSQZZAQ-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1ccc(F)cc1 ZINC000656488419 411284198 /nfs/dbraw/zinc/28/41/98/411284198.db2.gz OCXNNLRAUXUBGG-JTQLQIEISA-N 0 1 248.305 2.288 20 0 BEADMN C[N@@H+](CCCCC(F)(F)F)CCC(=O)[O-] ZINC000659791763 411284285 /nfs/dbraw/zinc/28/42/85/411284285.db2.gz FNIFXVQFFYATGR-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN C[C@H](O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000649418968 411284567 /nfs/dbraw/zinc/28/45/67/411284567.db2.gz WIRIAZIHVUJOLM-KXUCPTDWSA-N 0 1 239.281 2.420 20 0 BEADMN Cc1cn2c(CN[C@@H](C)CF)c(C)nc2s1 ZINC000309852111 411295023 /nfs/dbraw/zinc/29/50/23/411295023.db2.gz YJTFRJNRVLTGFF-ZETCQYMHSA-N 0 1 241.335 2.460 20 0 BEADMN CC(F)(F)CCNCc1cc2n(n1)CCCC2 ZINC000655777505 411297269 /nfs/dbraw/zinc/29/72/69/411297269.db2.gz USVARZOVLWQWJU-UHFFFAOYSA-N 0 1 243.301 2.354 20 0 BEADMN CCN1CC[C@H](N(C)Cc2ccccc2C)C1=O ZINC000659813372 411300339 /nfs/dbraw/zinc/30/03/39/411300339.db2.gz SMFUAGOSYSNZED-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN C[C@H](NC[C@]1(C)CC1(F)F)c1ccn(C)n1 ZINC000658221353 411301012 /nfs/dbraw/zinc/30/10/12/411301012.db2.gz LIOFBHNLSYASHY-WPRPVWTQSA-N 0 1 229.274 2.116 20 0 BEADMN Cc1cnc(CNC2CC3(CCC3)C2)o1 ZINC000656565018 411301862 /nfs/dbraw/zinc/30/18/62/411301862.db2.gz QWQRXRYTNDHYRL-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN CC1(C)CC[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000656560656 411304188 /nfs/dbraw/zinc/30/41/88/411304188.db2.gz DSCJGBNUZTWEPV-IUCAKERBSA-N 0 1 221.304 2.398 20 0 BEADMN CC1(C)CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000077353166 167900652 /nfs/dbraw/zinc/90/06/52/167900652.db2.gz VQOSUFQJVAULJB-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000659828045 411310416 /nfs/dbraw/zinc/31/04/16/411310416.db2.gz DLOOJCXBPFXAMG-AXFHLTTASA-N 0 1 236.363 2.406 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1cnccn1 ZINC000656691911 411331658 /nfs/dbraw/zinc/33/16/58/411331658.db2.gz YSYOZQWKALVCRY-WOPDTQHZSA-N 0 1 235.331 2.085 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1nccs1 ZINC000658251464 411314723 /nfs/dbraw/zinc/31/47/23/411314723.db2.gz HKGQXDQZMNJOSW-AEJSXWLSSA-N 0 1 238.356 2.097 20 0 BEADMN c1n[nH]cc1CN1CC(Cc2ccccc2)C1 ZINC000656651703 411316467 /nfs/dbraw/zinc/31/64/67/411316467.db2.gz CJRHEADJRDQZDR-UHFFFAOYSA-N 0 1 227.311 2.084 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cnccn1)C1CCCC1 ZINC000658316687 411332110 /nfs/dbraw/zinc/33/21/10/411332110.db2.gz RUERACXAVZIHCY-RISCZKNCSA-N 0 1 249.358 2.332 20 0 BEADMN Cc1noc([C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000044583673 411317714 /nfs/dbraw/zinc/31/77/14/411317714.db2.gz DIPACAQMJOVBTJ-DTWKUNHWSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1nccn1C ZINC000658280504 411320322 /nfs/dbraw/zinc/32/03/22/411320322.db2.gz IZIJHTLUWRISIN-BDAKNGLRSA-N 0 1 243.301 2.362 20 0 BEADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1nccn1C ZINC000658280506 411320635 /nfs/dbraw/zinc/32/06/35/411320635.db2.gz IZIJHTLUWRISIN-IUCAKERBSA-N 0 1 243.301 2.362 20 0 BEADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1nccn1C ZINC000658280507 411320639 /nfs/dbraw/zinc/32/06/39/411320639.db2.gz IZIJHTLUWRISIN-RKDXNWHRSA-N 0 1 243.301 2.362 20 0 BEADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1nccn1C ZINC000658280505 411320672 /nfs/dbraw/zinc/32/06/72/411320672.db2.gz IZIJHTLUWRISIN-DTWKUNHWSA-N 0 1 243.301 2.362 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000653757507 411332737 /nfs/dbraw/zinc/33/27/37/411332737.db2.gz KJBIDUBJVUUMSE-RYUDHWBXSA-N 0 1 226.364 2.188 20 0 BEADMN FC1CC2(C1)CN(Cc1ccc3[nH]cnc3c1)C2 ZINC000656694338 411332729 /nfs/dbraw/zinc/33/27/29/411332729.db2.gz QCLVUKWJJITADS-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN Cc1csc(CN2CCCCC[C@H]2CO)n1 ZINC000124830452 411324998 /nfs/dbraw/zinc/32/49/98/411324998.db2.gz CXJQWUQINVDMKY-NSHDSACASA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cncc(C[N@@H+](CCC(=O)[O-])CC2CC2)c1 ZINC000652467097 411249714 /nfs/dbraw/zinc/24/97/14/411249714.db2.gz KLLGIRWLKQVEMH-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cccc(C[N@@H+](CCC(=O)[O-])CC2CC2)n1 ZINC000652467055 411249722 /nfs/dbraw/zinc/24/97/22/411249722.db2.gz IRWPPRZNEQDLCX-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN CO[C@H](CC(C)C)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000652477821 411252084 /nfs/dbraw/zinc/25/20/84/411252084.db2.gz PFGCXRBETHFNBS-GFCCVEGCSA-N 0 1 245.363 2.233 20 0 BEADMN CCCCOCCN[C@@H]1CCCn2ccnc21 ZINC000655702924 411253360 /nfs/dbraw/zinc/25/33/60/411253360.db2.gz GOZYZDJMHXLSHT-GFCCVEGCSA-N 0 1 237.347 2.124 20 0 BEADMN CCC[C@H](CN[C@@H]1CCCn2ccnc21)OC ZINC000655772570 411254741 /nfs/dbraw/zinc/25/47/41/411254741.db2.gz YVSSXFKRYMOQOG-VXGBXAGGSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000656446258 411255521 /nfs/dbraw/zinc/25/55/21/411255521.db2.gz WJGKOHIOIGOIAM-NXEZZACHSA-N 0 1 223.291 2.126 20 0 BEADMN CCOc1ccccc1[C@H](C)NC/C=C\CO ZINC000658132569 411256109 /nfs/dbraw/zinc/25/61/09/411256109.db2.gz IRWNDHXABSAJRG-DGMVEKRQSA-N 0 1 235.327 2.284 20 0 BEADMN CC(C)[C@H](NC/C=C\CO)c1ccc(F)cn1 ZINC000658133860 411257415 /nfs/dbraw/zinc/25/74/15/411257415.db2.gz GTAVNCVIAMVTCT-SCOBNMCVSA-N 0 1 238.306 2.056 20 0 BEADMN Cc1ncccc1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000652488747 411257677 /nfs/dbraw/zinc/25/76/77/411257677.db2.gz HOSUZXJSARMLCV-SNVBAGLBSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)nc1 ZINC000652488815 411258327 /nfs/dbraw/zinc/25/83/27/411258327.db2.gz NDEANWWNIKRVOH-LLVKDONJSA-N 0 1 248.326 2.075 20 0 BEADMN O=C([O-])C[N@@H+](CCCC1CCC1)C1CC1 ZINC000656755531 411350699 /nfs/dbraw/zinc/35/06/99/411350699.db2.gz PWOUGKNINDBIPW-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ncccc12 ZINC000656756259 411351546 /nfs/dbraw/zinc/35/15/46/411351546.db2.gz JPZYYELZCWWZPV-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN C[C@@H](NCc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000660265496 411352069 /nfs/dbraw/zinc/35/20/69/411352069.db2.gz ZBSJAWKLRQZNFC-NOZJJQNGSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ccccc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656759431 411354924 /nfs/dbraw/zinc/35/49/24/411354924.db2.gz GECKHGBOZJILOR-UHFFFAOYSA-N 0 1 231.295 2.044 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656759822 411355362 /nfs/dbraw/zinc/35/53/62/411355362.db2.gz HXOGMBDJNFDZSO-UHFFFAOYSA-N 0 1 249.285 2.183 20 0 BEADMN CCc1ccc(C)nc1NCc1nccn1C ZINC000656778387 411357889 /nfs/dbraw/zinc/35/78/89/411357889.db2.gz WRUGJOYJNLZBJS-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(N)c2)[C@H](C)CO1 ZINC000403756341 411358067 /nfs/dbraw/zinc/35/80/67/411358067.db2.gz YVWKAOVLPMREHJ-BXUZGUMPSA-N 0 1 234.343 2.268 20 0 BEADMN CCc1nnc(SCCc2ccccn2)[nH]1 ZINC000658791206 411361693 /nfs/dbraw/zinc/36/16/93/411361693.db2.gz YHLWYLWKWUZTDH-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN CCc1n[nH]c(SCCc2ccccn2)n1 ZINC000658791206 411361695 /nfs/dbraw/zinc/36/16/95/411361695.db2.gz YHLWYLWKWUZTDH-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccc2c1NCC2 ZINC000656785193 411362037 /nfs/dbraw/zinc/36/20/37/411362037.db2.gz FPYGEBBTKMPVKG-UHFFFAOYSA-N 0 1 242.326 2.010 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCF)[C@H]2CCCC[C@H]12 ZINC000656767890 411362873 /nfs/dbraw/zinc/36/28/73/411362873.db2.gz WMHUJZVNNHIFHI-UTUOFQBUSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)cn2)CC1(C)C ZINC000660278349 411364236 /nfs/dbraw/zinc/36/42/36/411364236.db2.gz SRQDHOTUHDZKKH-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN CC[C@@H]1C[N@@H+](CCCCC(=O)[O-])[C@H](CC)CO1 ZINC000403901216 411365387 /nfs/dbraw/zinc/36/53/87/411365387.db2.gz VMBVCVXDJDCHSO-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1noc(C)c1CNCc1cccc(N)c1 ZINC000656787491 411365469 /nfs/dbraw/zinc/36/54/69/411365469.db2.gz LKEXKALUMJCROR-UHFFFAOYSA-N 0 1 231.299 2.163 20 0 BEADMN Cc1occc1-c1nc([C@H]2CCCN2)no1 ZINC000070947226 411370264 /nfs/dbraw/zinc/37/02/64/411370264.db2.gz BBIIMRVLMBFFCN-SECBINFHSA-N 0 1 219.244 2.063 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(F)cn1 ZINC000658329932 411337132 /nfs/dbraw/zinc/33/71/32/411337132.db2.gz BCAQTIRLXIMTKN-FXAINCCUSA-N 0 1 224.279 2.049 20 0 BEADMN CC(C)C[C@@H](C)N1CCn2cncc2C1 ZINC000660583955 411337737 /nfs/dbraw/zinc/33/77/37/411337737.db2.gz OTCLQSYMGFZGTD-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000656713489 411338378 /nfs/dbraw/zinc/33/83/78/411338378.db2.gz UMBUKZBPAMAPGN-CQSZACIVSA-N 0 1 246.354 2.269 20 0 BEADMN FC1(F)CC[C@H](CN2CCn3cncc3C2)C1 ZINC000660585485 411340065 /nfs/dbraw/zinc/34/00/65/411340065.db2.gz ZZSCFILPVWOHLF-JTQLQIEISA-N 0 1 241.285 2.134 20 0 BEADMN COc1cc(CN(C)CCC(C)C)on1 ZINC000659847832 411340552 /nfs/dbraw/zinc/34/05/52/411340552.db2.gz ACEWXBAMEYUXMO-UHFFFAOYSA-N 0 1 212.293 2.161 20 0 BEADMN C1=CO[C@H](C[N@H+]2CCOCC23CCCC3)CC1 ZINC000373201376 411343302 /nfs/dbraw/zinc/34/33/02/411343302.db2.gz DJPPLHLABKMCGC-ZDUSSCGKSA-N 0 1 237.343 2.324 20 0 BEADMN COC[C@H](CC(C)C)N[C@@H](C)c1nccn1C ZINC000658335685 411343319 /nfs/dbraw/zinc/34/33/19/411343319.db2.gz FGEJAYHSLNPCGF-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656760872 411345139 /nfs/dbraw/zinc/34/51/39/411345139.db2.gz KYCGDUWRONUNCH-ZBOXLXRLSA-N 0 1 225.332 2.218 20 0 BEADMN CCC1(CC)CCC[N@@H+](CCC(=O)[O-])C1 ZINC000656763311 411346107 /nfs/dbraw/zinc/34/61/07/411346107.db2.gz MIGRNSNPTJHPCI-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC1(CNC(=O)CCc2cnc[nH]2)CCCC1 ZINC000188964102 168030288 /nfs/dbraw/zinc/03/02/88/168030288.db2.gz GVJHRYUKWCIGSC-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CC12CCC(CC1)C2 ZINC000656761485 411347005 /nfs/dbraw/zinc/34/70/05/411347005.db2.gz UUYAUCLUPXPCRO-UHFFFAOYSA-N 0 1 235.327 2.116 20 0 BEADMN CC1(CNCc2c(F)cc(F)cc2F)COC1 ZINC000339523871 168042463 /nfs/dbraw/zinc/04/24/63/168042463.db2.gz MZVHRCWXVRZRHX-UHFFFAOYSA-N 0 1 245.244 2.230 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656765273 411348420 /nfs/dbraw/zinc/34/84/20/411348420.db2.gz JHQOHBZQJNAEDD-IVZWLZJFSA-N 0 1 247.285 2.217 20 0 BEADMN CC1(O)CCN(Cc2ccccc2F)CC1 ZINC000087781172 168067059 /nfs/dbraw/zinc/06/70/59/168067059.db2.gz QJJSSPNYLUEMOU-UHFFFAOYSA-N 0 1 223.291 2.173 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662212509 411378080 /nfs/dbraw/zinc/37/80/80/411378080.db2.gz BPVLVVTZRPPIPD-YVECIDJPSA-N 0 1 237.343 2.362 20 0 BEADMN CC1=C(C)CN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000361619644 168082381 /nfs/dbraw/zinc/08/23/81/168082381.db2.gz NVIWQCFHSHRQCI-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN CC1=C(C)CN(Cc2cnc(N(C)C)nc2)CC1 ZINC000280750699 168083804 /nfs/dbraw/zinc/08/38/04/168083804.db2.gz DUJUHIRFBHFJSM-UHFFFAOYSA-N 0 1 246.358 2.085 20 0 BEADMN Cc1cc(CN2CCC(C)=C(C)C2)n(C)n1 ZINC000335130221 168085748 /nfs/dbraw/zinc/08/57/48/168085748.db2.gz KDQLYTWYYVWLAO-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN CC1=CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000281757047 168097844 /nfs/dbraw/zinc/09/78/44/168097844.db2.gz IIQBAYFGUNIBMI-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN CC(C)[C@@H]1C(=O)NCCN1CCCC1CCC1 ZINC000659910878 411380245 /nfs/dbraw/zinc/38/02/45/411380245.db2.gz AKAUSVGHBMHGRA-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN CC1=C[C@@H](C)CN(Cc2cnc(C)nc2)C1 ZINC000336572759 168124201 /nfs/dbraw/zinc/12/42/01/168124201.db2.gz RYPJVPDAXDDJEH-SNVBAGLBSA-N 0 1 217.316 2.183 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN[C@@H](C)c2ncn(C)n2)C1 ZINC000289404669 168129353 /nfs/dbraw/zinc/12/93/53/168129353.db2.gz AUSRMRNRKXKGEO-WCFLWFBJSA-N 0 1 248.374 2.458 20 0 BEADMN CC1CC(NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000336388820 168140928 /nfs/dbraw/zinc/14/09/28/168140928.db2.gz XLIVTEGRQFHZPE-UHFFFAOYSA-N 0 1 243.310 2.020 20 0 BEADMN CC1CN(Cc2cc3cccnc3o2)C1 ZINC000336224654 168190251 /nfs/dbraw/zinc/19/02/51/168190251.db2.gz WSPWHWRLGDDYTD-UHFFFAOYSA-N 0 1 202.257 2.280 20 0 BEADMN CCC(=CC(=O)NCc1n[nH]c(C2CC2)n1)CC ZINC000295300742 168194236 /nfs/dbraw/zinc/19/42/36/168194236.db2.gz BKBHVHSVXBMHKT-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN CCC(=CC(=O)NCc1cn[nH]c1C)CC ZINC000177669413 168194887 /nfs/dbraw/zinc/19/48/87/168194887.db2.gz OXPREZPDKMVDPG-UHFFFAOYSA-N 0 1 221.304 2.081 20 0 BEADMN O=C(NC1CC2(CCC2)C1)[C@@H]1CCCN1C1CC1 ZINC000652969888 411382709 /nfs/dbraw/zinc/38/27/09/411382709.db2.gz SEWFVADYSOSFFC-ZDUSSCGKSA-N 0 1 248.370 2.062 20 0 BEADMN CCC(C)(C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000263794413 168270315 /nfs/dbraw/zinc/27/03/15/168270315.db2.gz YZCWQZUCADZSNA-UHFFFAOYSA-N 0 1 248.286 2.439 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000336563019 168283020 /nfs/dbraw/zinc/28/30/20/168283020.db2.gz NZSITGWXAOLZOJ-SNVBAGLBSA-N 0 1 249.358 2.477 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000336563018 168285200 /nfs/dbraw/zinc/28/52/00/168285200.db2.gz NZSITGWXAOLZOJ-JTQLQIEISA-N 0 1 249.358 2.477 20 0 BEADMN CCC(C)(C)N(C)Cc1ncc(C)cn1 ZINC000336649987 168288662 /nfs/dbraw/zinc/28/86/62/168288662.db2.gz SERQUUJRVLSGQC-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H](CC)CC(F)F ZINC000659787522 411454917 /nfs/dbraw/zinc/45/49/17/411454917.db2.gz BIEUQCXIEDTUSJ-VIFPVBQESA-N 0 1 237.290 2.464 20 0 BEADMN CCC(C)(C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268140223 168294756 /nfs/dbraw/zinc/29/47/56/168294756.db2.gz IJDHZHPBINCPLZ-VIFPVBQESA-N 0 1 235.331 2.134 20 0 BEADMN CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000308859854 168305406 /nfs/dbraw/zinc/30/54/06/168305406.db2.gz RAQWFBOVXYCWNJ-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](CC3CCC3)C[C@H]1CCCC2 ZINC000659798605 411456867 /nfs/dbraw/zinc/45/68/67/411456867.db2.gz KFLLRMLRAQMIGC-TZMCWYRMSA-N 0 1 237.343 2.363 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000659800736 411457600 /nfs/dbraw/zinc/45/76/00/411457600.db2.gz XDAJCGPNNRHGLE-NXEZZACHSA-N 0 1 235.283 2.128 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801780 411457704 /nfs/dbraw/zinc/45/77/04/411457704.db2.gz KGNKOIARMGHTRB-BBBLOLIVSA-N 0 1 249.301 2.463 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659800403 411458285 /nfs/dbraw/zinc/45/82/85/411458285.db2.gz SEXRRRXYVSRESN-OPRDCNLKSA-N 0 1 235.283 2.381 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799760 411458295 /nfs/dbraw/zinc/45/82/95/411458295.db2.gz HFOWQSXLKSWGIB-SGMGOOAPSA-N 0 1 245.322 2.463 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000659800367 411458418 /nfs/dbraw/zinc/45/84/18/411458418.db2.gz RTVJBKVPEQZVJQ-IUCAKERBSA-N 0 1 237.324 2.288 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000659803468 411458734 /nfs/dbraw/zinc/45/87/34/411458734.db2.gz IGDAPLHQBWQMCH-CMPLNLGQSA-N 0 1 233.311 2.121 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@@H+](CCC1CC1)CC1CC1 ZINC000659804094 411459401 /nfs/dbraw/zinc/45/94/01/411459401.db2.gz STOYZNXLTPASSM-CYBMUJFWSA-N 0 1 237.343 2.362 20 0 BEADMN CO[C@H](CN1CCO[C@H](C)C1)C1CCCCC1 ZINC000659811455 411460444 /nfs/dbraw/zinc/46/04/44/411460444.db2.gz IRCGKBJDZWSZNX-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H](F)C1 ZINC000653012890 411395049 /nfs/dbraw/zinc/39/50/49/411395049.db2.gz SCMONZDUIJGJPK-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1ncc(CN[C@@H](C)CC(F)(F)F)o1 ZINC000657102827 411406673 /nfs/dbraw/zinc/40/66/73/411406673.db2.gz DOZQTFXOEGODJK-LURJTMIESA-N 0 1 222.210 2.414 20 0 BEADMN C=C[C@H](C(=O)[O-])[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404988970 411413146 /nfs/dbraw/zinc/41/31/46/411413146.db2.gz FZHAFKVUGNAYMC-BXUZGUMPSA-N 0 1 245.322 2.287 20 0 BEADMN CCN(CC)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000265562075 411416587 /nfs/dbraw/zinc/41/65/87/411416587.db2.gz KHPBSZFXNHBARU-SNVBAGLBSA-N 0 1 238.306 2.495 20 0 BEADMN Fc1cccc2c1CN([C@H]1CCCOC1)C2 ZINC000657192324 411416749 /nfs/dbraw/zinc/41/67/49/411416749.db2.gz IBEYQDZVCQREKS-NSHDSACASA-N 0 1 221.275 2.320 20 0 BEADMN Fc1ccccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657208979 411419129 /nfs/dbraw/zinc/41/91/29/411419129.db2.gz LHEFNAHLXBOQNZ-OCCSQVGLSA-N 0 1 235.302 2.437 20 0 BEADMN COCC1(N(C)Cc2c(C)nsc2C)CC1 ZINC000653593664 411428593 /nfs/dbraw/zinc/42/85/93/411428593.db2.gz JXNYAAANZNHQFT-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C(F)F)C2)cn1 ZINC000653593751 411428739 /nfs/dbraw/zinc/42/87/39/411428739.db2.gz NNZWDMKCSFVWGP-LLVKDONJSA-N 0 1 226.270 2.477 20 0 BEADMN CS[C@@H]1CCCCN(Cc2ccn(C)n2)C1 ZINC000271387870 411429561 /nfs/dbraw/zinc/42/95/61/411429561.db2.gz SLPXBLRTNRQPID-GFCCVEGCSA-N 0 1 239.388 2.138 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881637 411430670 /nfs/dbraw/zinc/43/06/70/411430670.db2.gz NCQYTNQBOBNUJA-XHDPSFHLSA-N 0 1 246.354 2.117 20 0 BEADMN Cc1cccc(N(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC000654698637 411432472 /nfs/dbraw/zinc/43/24/72/411432472.db2.gz WKZMTNMBQRSXJR-CYBMUJFWSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000654706296 411433841 /nfs/dbraw/zinc/43/38/41/411433841.db2.gz POSRNPAWVQJCPE-PHDIDXHHSA-N 0 1 227.210 2.265 20 0 BEADMN Cc1c[nH]c(CNCCOC2CCCCC2)n1 ZINC000657334187 411463812 /nfs/dbraw/zinc/46/38/12/411463812.db2.gz OWLMNIYRIHZHFH-UHFFFAOYSA-N 0 1 237.347 2.157 20 0 BEADMN C[C@H](N[C@H]1CCCn2ccnc21)[C@@H]1CCCCO1 ZINC000655747423 411448547 /nfs/dbraw/zinc/44/85/47/411448547.db2.gz FNBSGXKYHLKBBN-AVGNSLFASA-N 0 1 249.358 2.265 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H]3CCC[C@H]32)on1 ZINC000653625645 411450616 /nfs/dbraw/zinc/45/06/16/411450616.db2.gz LIEVNZNOCOAGBR-GXFFZTMASA-N 0 1 234.299 2.252 20 0 BEADMN COc1cccc(-n2[nH]c(C)c(C)c2=O)c1 ZINC000123502399 411452492 /nfs/dbraw/zinc/45/24/92/411452492.db2.gz LYTXACMXQIIUBE-MRVPVSSYSA-N 0 1 218.256 2.054 20 0 BEADMN COc1cccc(-n2[nH]c(C)c(C)c2=O)c1 ZINC000123502621 411452817 /nfs/dbraw/zinc/45/28/17/411452817.db2.gz LYTXACMXQIIUBE-QMMMGPOBSA-N 0 1 218.256 2.054 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000659788299 411454437 /nfs/dbraw/zinc/45/44/37/411454437.db2.gz GTLMJFPZALSACD-GFCCVEGCSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@H]1CCN1Cc1cnc(N(C)C)s1 ZINC000292710714 411470358 /nfs/dbraw/zinc/47/03/58/411470358.db2.gz DELTVDZZZUEVMW-VIFPVBQESA-N 0 1 225.361 2.193 20 0 BEADMN CCN(Cc1nc(C)oc1C)C[C@H]1CCOC1 ZINC000659845147 411475245 /nfs/dbraw/zinc/47/52/45/411475245.db2.gz HGWOQAYGZLHJBR-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CS[C@H](C)C1 ZINC000657491564 411533001 /nfs/dbraw/zinc/53/30/01/411533001.db2.gz XDBXCOYIDZONCV-MNOVXSKESA-N 0 1 239.388 2.448 20 0 BEADMN Cc1c[nH]c(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000657375499 411483363 /nfs/dbraw/zinc/48/33/63/411483363.db2.gz HGTUDVIAJVNBFP-KBPBESRZSA-N 0 1 241.338 2.439 20 0 BEADMN CCN(Cc1oc(C(C)C)nc1C)[C@@H](C)CO ZINC000339633172 169939302 /nfs/dbraw/zinc/93/93/02/169939302.db2.gz DCSRUNMBJZKSFF-JTQLQIEISA-N 0 1 240.347 2.309 20 0 BEADMN CCc1cnc(CN[C@H]2CO[C@@H](CC)C2)s1 ZINC000657377912 411486800 /nfs/dbraw/zinc/48/68/00/411486800.db2.gz IRKGXISKMJUZKV-ZJUUUORDSA-N 0 1 240.372 2.363 20 0 BEADMN COc1cc(CN2[C@H](C)CCC[C@H]2C)on1 ZINC000659912722 411494423 /nfs/dbraw/zinc/49/44/23/411494423.db2.gz XNYNEHQWTYNFJG-NXEZZACHSA-N 0 1 224.304 2.446 20 0 BEADMN C/C=C/C=C/c1nc([C@@H]2CCCN2)no1 ZINC000309480855 411497886 /nfs/dbraw/zinc/49/78/86/411497886.db2.gz DNCIUJOUKVGAJG-NGZSRFJJSA-N 0 1 205.261 2.083 20 0 BEADMN Cc1cccc(CN(C)[C@H]2COC(C)(C)C2)n1 ZINC000660080548 411534057 /nfs/dbraw/zinc/53/40/57/411534057.db2.gz MBDMZNNGRHWLRA-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCCO2)[nH]c1C ZINC000657427757 411503767 /nfs/dbraw/zinc/50/37/67/411503767.db2.gz FTGOMKDRWCESDU-VXGBXAGGSA-N 0 1 237.347 2.074 20 0 BEADMN CC[C@H]1C[C@@H](NCc2ccc(Cl)cn2)CO1 ZINC000657428079 411503777 /nfs/dbraw/zinc/50/37/77/411503777.db2.gz XRZYGFLBIYJQCY-NEPJUHHUSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000655141040 411503887 /nfs/dbraw/zinc/50/38/87/411503887.db2.gz KYAJODZXYFCLKS-NEPJUHHUSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000655150396 411505849 /nfs/dbraw/zinc/50/58/49/411505849.db2.gz MCIXTSAOBWENEX-RHYQMDGZSA-N 0 1 249.358 2.091 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000655150395 411505911 /nfs/dbraw/zinc/50/59/11/411505911.db2.gz MCIXTSAOBWENEX-NOOOWODRSA-N 0 1 249.358 2.091 20 0 BEADMN CCOC(C)(C)CNCc1nccn1C(C)C ZINC000657444095 411512712 /nfs/dbraw/zinc/51/27/12/411512712.db2.gz UTUFKOCXMAGMIC-UHFFFAOYSA-N 0 1 239.363 2.369 20 0 BEADMN CC(C)CC1(CNC(=O)c2cnccc2N)CC1 ZINC000188011217 411514374 /nfs/dbraw/zinc/51/43/74/411514374.db2.gz HKKNURGBKOSCDT-UHFFFAOYSA-N 0 1 247.342 2.220 20 0 BEADMN CCN1CC[C@H](N2Cc3ccccc3[C@H]2C)C1=O ZINC000659977663 411516821 /nfs/dbraw/zinc/51/68/21/411516821.db2.gz UJEHNSICFJLWEF-RISCZKNCSA-N 0 1 244.338 2.184 20 0 BEADMN Cc1ccc([C@H]2CCCN2C(=O)CN(C)C)cc1 ZINC000334457230 411516956 /nfs/dbraw/zinc/51/69/56/411516956.db2.gz IHLUZWQYSGUORJ-CQSZACIVSA-N 0 1 246.354 2.220 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C)[C@@H]2C)[nH]1 ZINC000659984515 411518970 /nfs/dbraw/zinc/51/89/70/411518970.db2.gz MQZHKRSPFLPHCB-UTLUCORTSA-N 0 1 222.336 2.158 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C(C)C)C2)[nH]1 ZINC000659995332 411524353 /nfs/dbraw/zinc/52/43/53/411524353.db2.gz BRDMPTDHUOYQQT-QWRGUYRKSA-N 0 1 236.363 2.406 20 0 BEADMN CCc1noc(C)c1CN[C@@H]1CO[C@@H](CC)C1 ZINC000657475474 411524747 /nfs/dbraw/zinc/52/47/47/411524747.db2.gz USECMDUDZTZBGE-QWRGUYRKSA-N 0 1 238.331 2.203 20 0 BEADMN CCOC1(CNCc2nc(C)c[nH]2)CCCC1 ZINC000657475348 411524871 /nfs/dbraw/zinc/52/48/71/411524871.db2.gz PRAGLRNPBHMJFV-UHFFFAOYSA-N 0 1 237.347 2.157 20 0 BEADMN Cc1c[nH]c(CNc2cc3c(cn2)CCC3)n1 ZINC000657476086 411525347 /nfs/dbraw/zinc/52/53/47/411525347.db2.gz LGTCJEVIGCYTIH-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN CC/C=C/CNCc1c(C(F)(F)F)cnn1C ZINC000657478766 411525785 /nfs/dbraw/zinc/52/57/85/411525785.db2.gz FGHNKLSUOQHNEV-SNAWJCMRSA-N 0 1 247.264 2.495 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCCC2(F)F)n1 ZINC000657481217 411526524 /nfs/dbraw/zinc/52/65/24/411526524.db2.gz BIOGMCXLBYCNRU-SECBINFHSA-N 0 1 229.274 2.243 20 0 BEADMN COCC1(CN[C@@H](C)c2cc(C)on2)CC1 ZINC000655816335 411527379 /nfs/dbraw/zinc/52/73/79/411527379.db2.gz VLYRTGPJTVWSLI-JTQLQIEISA-N 0 1 224.304 2.060 20 0 BEADMN CC[C@](C)(CNCc1nccn1C(C)C)OC ZINC000657480050 411528080 /nfs/dbraw/zinc/52/80/80/411528080.db2.gz QCEBOPQETOSRDI-CYBMUJFWSA-N 0 1 239.363 2.369 20 0 BEADMN CCCc1ncc(CN[C@H]2CO[C@H](CC)C2)o1 ZINC000657486254 411530382 /nfs/dbraw/zinc/53/03/82/411530382.db2.gz VEPRXJKNEJUIBS-GHMZBOCLSA-N 0 1 238.331 2.284 20 0 BEADMN COc1cc(CN2CCCC[C@@H]2C)on1 ZINC000659828183 411466683 /nfs/dbraw/zinc/46/66/83/411466683.db2.gz AHVYPPAORWQPLK-VIFPVBQESA-N 0 1 210.277 2.058 20 0 BEADMN COC[C@H](CC(C)(C)C)NCc1nc(C)c[nH]1 ZINC000657504055 411539572 /nfs/dbraw/zinc/53/95/72/411539572.db2.gz CUMOZEOZXIKCAG-NSHDSACASA-N 0 1 239.363 2.259 20 0 BEADMN Cc1c[nH]c(CNCCc2ncc(C)cc2C)n1 ZINC000657505433 411540087 /nfs/dbraw/zinc/54/00/87/411540087.db2.gz ZDHVIDWPZIYTCK-UHFFFAOYSA-N 0 1 244.342 2.062 20 0 BEADMN CCN1C[C@H](C)N(Cc2nccs2)[C@@H](C)C1 ZINC000334436124 170034273 /nfs/dbraw/zinc/03/42/73/170034273.db2.gz ZUNLJZKKBATWHH-QWRGUYRKSA-N 0 1 239.388 2.058 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@H](C)O)c(C)o1 ZINC000660123251 411540770 /nfs/dbraw/zinc/54/07/70/411540770.db2.gz JCUHUHYXZJTRJG-CABZTGNLSA-N 0 1 238.331 2.027 20 0 BEADMN CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245401710 170040757 /nfs/dbraw/zinc/04/07/57/170040757.db2.gz FMLKNDRALPIKTC-DGCLKSJQSA-N 0 1 205.301 2.468 20 0 BEADMN CCNC(=O)CN1CCC(c2ccccc2)CC1 ZINC000338934110 170058938 /nfs/dbraw/zinc/05/89/38/170058938.db2.gz DQCVFRPXNFBOMX-UHFFFAOYSA-N 0 1 246.354 2.002 20 0 BEADMN Cc1ccc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)nc1 ZINC000657525997 411542691 /nfs/dbraw/zinc/54/26/91/411542691.db2.gz ZJWYIJPBDPIWMR-AWEZNQCLSA-N 0 1 247.386 2.352 20 0 BEADMN CC(C)(C)[N@@H+]1CC[C@H]1CNCc1nccs1 ZINC000657525983 411543392 /nfs/dbraw/zinc/54/33/92/411543392.db2.gz ZGEAILREQYWROK-JTQLQIEISA-N 0 1 239.388 2.106 20 0 BEADMN CC(C)(C)N1CC[C@H]1CNCc1nccs1 ZINC000657525983 411543397 /nfs/dbraw/zinc/54/33/97/411543397.db2.gz ZGEAILREQYWROK-JTQLQIEISA-N 0 1 239.388 2.106 20 0 BEADMN CN(Cc1nccn1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660138621 411544316 /nfs/dbraw/zinc/54/43/16/411544316.db2.gz XFSPTXKNWXMMKW-FRRDWIJNSA-N 0 1 233.359 2.288 20 0 BEADMN CCNC(=O)[C@@H](C)NCc1ccc2occc2c1 ZINC000285387050 170088502 /nfs/dbraw/zinc/08/85/02/170088502.db2.gz HDGHHGHILYGEDV-SNVBAGLBSA-N 0 1 246.310 2.047 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000035138390 170089170 /nfs/dbraw/zinc/08/91/70/170089170.db2.gz MIHDZLWOBYPPHU-NXEZZACHSA-N 0 1 238.306 2.001 20 0 BEADMN Cc1nc(CNC2(CO)CCCCC2)c(C)o1 ZINC000660109371 411537266 /nfs/dbraw/zinc/53/72/66/411537266.db2.gz CQCCULQAULESCQ-UHFFFAOYSA-N 0 1 238.331 2.076 20 0 BEADMN C[C@@H]1[C@H](C)N(Cc2cc(C3CC3)no2)CCN1C ZINC000660167206 411550800 /nfs/dbraw/zinc/55/08/00/411550800.db2.gz CRDOASFAZGMVBZ-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1nccs1 ZINC000657560437 411551404 /nfs/dbraw/zinc/55/14/04/411551404.db2.gz HPIBVJMAGBBCDR-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN CC(C)CCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000657569405 411553684 /nfs/dbraw/zinc/55/36/84/411553684.db2.gz MPPQZRJUZRSIGG-GHMZBOCLSA-N 0 1 222.336 2.310 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@@H](C)[C@H](F)C2)n[nH]1 ZINC000660221521 411555894 /nfs/dbraw/zinc/55/58/94/411555894.db2.gz QEFSVRCEILNLMY-KXUCPTDWSA-N 0 1 240.326 2.108 20 0 BEADMN FC(F)[C@H]1CCN(Cc2cncs2)C1 ZINC000660146488 411545578 /nfs/dbraw/zinc/54/55/78/411545578.db2.gz GSKMVQNSSCJLGF-ZETCQYMHSA-N 0 1 218.272 2.230 20 0 BEADMN COCC1(NCc2nccs2)CCCC1 ZINC000657547592 411546400 /nfs/dbraw/zinc/54/64/00/411546400.db2.gz UKCGKWZDDPTJHD-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN c1c(CN[C@@]23C[C@@H]2CCC3)nnn1C1CCC1 ZINC000657550972 411547677 /nfs/dbraw/zinc/54/76/77/411547677.db2.gz GAQNQNQSRKPXKY-GWCFXTLKSA-N 0 1 232.331 2.035 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C3CC3)C2)[nH]1 ZINC000660155550 411548425 /nfs/dbraw/zinc/54/84/25/411548425.db2.gz POTHIGLUYPVQOJ-GXSJLCMTSA-N 0 1 234.347 2.160 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@H](C)C2)co1 ZINC000660157721 411549020 /nfs/dbraw/zinc/54/90/20/411549020.db2.gz LKLMTZLMENOADW-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN CCOC(=O)CCN1Cc2ccc(C)cc2C1 ZINC000361601361 170207563 /nfs/dbraw/zinc/20/75/63/170207563.db2.gz JHLUMPFCSNWFQA-UHFFFAOYSA-N 0 1 233.311 2.264 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356048360 170215335 /nfs/dbraw/zinc/21/53/35/170215335.db2.gz CRZDESYYMOISTD-YPMHNXCESA-N 0 1 239.359 2.474 20 0 BEADMN Cc1cn2c(n1)CN(CCC1CCC1)CC2 ZINC000660239011 411557524 /nfs/dbraw/zinc/55/75/24/411557524.db2.gz PCCNSJIIHOWZQM-UHFFFAOYSA-N 0 1 219.332 2.197 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000043638759 170246279 /nfs/dbraw/zinc/24/62/79/170246279.db2.gz TVSJTYDBEDJYPT-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CCCOC(C)C ZINC000343890198 170249589 /nfs/dbraw/zinc/24/95/89/170249589.db2.gz SKTFLJXHKHLNBM-GFCCVEGCSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1nc(CNCCc2cnccc2C)cs1 ZINC000657588421 411558786 /nfs/dbraw/zinc/55/87/86/411558786.db2.gz QSXVSYGACOPBKC-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN OC/C=C/CNCc1sccc1Cl ZINC000657594024 411560167 /nfs/dbraw/zinc/56/01/67/411560167.db2.gz MAIFKICIHYSKHG-OWOJBTEDSA-N 0 1 217.721 2.040 20 0 BEADMN COc1ccc2oc(CNC/C=C\CO)cc2c1 ZINC000657595419 411560721 /nfs/dbraw/zinc/56/07/21/411560721.db2.gz ZTYGAEDJTCMMJS-IHWYPQMZSA-N 0 1 247.294 2.080 20 0 BEADMN COc1ccc2oc(CNC/C=C/CO)cc2c1 ZINC000657595420 411560833 /nfs/dbraw/zinc/56/08/33/411560833.db2.gz ZTYGAEDJTCMMJS-NSCUHMNNSA-N 0 1 247.294 2.080 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339681182 170266340 /nfs/dbraw/zinc/26/63/40/170266340.db2.gz YQUKLUVECIAOGT-CMPLNLGQSA-N 0 1 225.332 2.060 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000043638604 170266436 /nfs/dbraw/zinc/26/64/36/170266436.db2.gz WNPOZAFEIGSLIR-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](NCc1ncc(Cl)s1)C1(CO)CC1 ZINC000657606874 411561247 /nfs/dbraw/zinc/56/12/47/411561247.db2.gz CGFNPRREXQAYGL-SSDOTTSWSA-N 0 1 246.763 2.047 20 0 BEADMN CC[C@@H](NCc1coc(C)n1)[C@H]1CCCO1 ZINC000660260099 411561263 /nfs/dbraw/zinc/56/12/63/411561263.db2.gz SESHSGCDOGENGU-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN CCO[C@H]1C[C@H](NCc2csc(C)n2)C1 ZINC000657610221 411562645 /nfs/dbraw/zinc/56/26/45/411562645.db2.gz LFZLVOLZXBGMLH-HOMQSWHASA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccnc(N[C@H]2CCOC2)c1C1CC1 ZINC000657612471 411563047 /nfs/dbraw/zinc/56/30/47/411563047.db2.gz MGMZJKBAVZPFIZ-NSHDSACASA-N 0 1 218.300 2.468 20 0 BEADMN CCOC(=O)c1coc(CN2CCCCC2)c1 ZINC000353810764 170304667 /nfs/dbraw/zinc/30/46/67/170304667.db2.gz BAHSPCOHPMCOBZ-UHFFFAOYSA-N 0 1 237.299 2.442 20 0 BEADMN CCOC(C)(C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345345073 170313694 /nfs/dbraw/zinc/31/36/94/170313694.db2.gz BQLIQFYFTBPUEF-GHMZBOCLSA-N 0 1 237.347 2.294 20 0 BEADMN CCOC1(C)CCN([C@@H](C)c2cnccn2)CC1 ZINC000298412387 170318770 /nfs/dbraw/zinc/31/87/70/170318770.db2.gz XFMOTJZJZMCEFR-LBPRGKRZSA-N 0 1 249.358 2.429 20 0 BEADMN CCOC1CC2(C1)CCN(Cc1ccno1)C2 ZINC000367589679 170332777 /nfs/dbraw/zinc/33/27/77/170332777.db2.gz QFZUJPCEKQUMKU-UHFFFAOYSA-N 0 1 236.315 2.066 20 0 BEADMN Cc1cnc(CNC[C@H]2CCC[C@H](C)O2)s1 ZINC000657670622 411574724 /nfs/dbraw/zinc/57/47/24/411574724.db2.gz VUOBMQJZBOCCGQ-GXSJLCMTSA-N 0 1 240.372 2.499 20 0 BEADMN CC1(C)C[C@H](N2CCc3ncsc3C2)CO1 ZINC000660375824 411575152 /nfs/dbraw/zinc/57/51/52/411575152.db2.gz ZAMYORZBTSRFMO-VIFPVBQESA-N 0 1 238.356 2.069 20 0 BEADMN CCOCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000274709322 170348578 /nfs/dbraw/zinc/34/85/78/170348578.db2.gz PSIGXVFPLZGEOX-UHFFFAOYSA-N 0 1 247.653 2.160 20 0 BEADMN CCOCCN(C)Cc1cc(F)cc(F)c1 ZINC000181485532 170389453 /nfs/dbraw/zinc/38/94/53/170389453.db2.gz BLWIVINWUIPZHI-UHFFFAOYSA-N 0 1 229.270 2.433 20 0 BEADMN CCOCCN(C)Cc1cccc(Cl)n1 ZINC000087977630 170390171 /nfs/dbraw/zinc/39/01/71/170390171.db2.gz LFDDMAAQCHLVSC-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CCOCCN(C)Cc1ccccc1F ZINC000248266744 170390621 /nfs/dbraw/zinc/39/06/21/170390621.db2.gz FDZLQVSYAHXKHU-UHFFFAOYSA-N 0 1 211.280 2.294 20 0 BEADMN CCOCCN(CC)Cc1cnn2ccccc12 ZINC000179640019 170396072 /nfs/dbraw/zinc/39/60/72/170396072.db2.gz HJQYYALCBWWFKC-UHFFFAOYSA-N 0 1 247.342 2.193 20 0 BEADMN FCCOCCNCc1cccc(F)c1F ZINC000663340494 411631827 /nfs/dbraw/zinc/63/18/27/411631827.db2.gz OVQCXZZEBRNYRI-UHFFFAOYSA-N 0 1 233.233 2.041 20 0 BEADMN CCn1ccnc1CNC[C@@]1(C)CC1(F)F ZINC000657663013 411576713 /nfs/dbraw/zinc/57/67/13/411576713.db2.gz AKKMIEVWDCSFQC-SNVBAGLBSA-N 0 1 229.274 2.038 20 0 BEADMN CO[C@H](CN1CCOC[C@H]1C)C1CCCCC1 ZINC000660422726 411582593 /nfs/dbraw/zinc/58/25/93/411582593.db2.gz HIYRLTPIEBKWGU-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2C(C)(C)C2(F)F)n1 ZINC000657737357 411588389 /nfs/dbraw/zinc/58/83/89/411588389.db2.gz CYOHIXXWQWZFBZ-MRVPVSSYSA-N 0 1 229.274 2.099 20 0 BEADMN CN1CCN(Cc2cc(C3CC3)no2)CC1(C)C ZINC000660464909 411589768 /nfs/dbraw/zinc/58/97/68/411589768.db2.gz GAVSWDQOGPJODE-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN C(CC1CCC1)CN1CCOC[C@]12CCOC2 ZINC000660475537 411590285 /nfs/dbraw/zinc/59/02/85/411590285.db2.gz BAPDBMKFQZWKNK-CQSZACIVSA-N 0 1 239.359 2.058 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)oc2C)[C@H](C)C1 ZINC000660480599 411591179 /nfs/dbraw/zinc/59/11/79/411591179.db2.gz WACWRDFHDFYBEJ-SKDRFNHKSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1nc(CN2CCCCC[C@@H]2CCO)co1 ZINC000660494486 411593645 /nfs/dbraw/zinc/59/36/45/411593645.db2.gz DUQZSUZMVQKQIB-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cc(C2CC2)no1 ZINC000660553176 411598604 /nfs/dbraw/zinc/59/86/04/411598604.db2.gz XIEVASDLXWMYLF-VIFPVBQESA-N 0 1 224.304 2.019 20 0 BEADMN COc1cccc(CNCc2cncn2C)c1C ZINC000657805011 411600384 /nfs/dbraw/zinc/60/03/84/411600384.db2.gz QMSVRBYWHGSPNI-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN C[C@H](O)[C@H](NCc1ccccn1)c1ccccc1 ZINC000657814149 411604129 /nfs/dbraw/zinc/60/41/29/411604129.db2.gz DBODQRHFNFSNPJ-WFASDCNBSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@@H](N[C@H]1CCCn2nccc21)c1ccncc1 ZINC000657819766 411605757 /nfs/dbraw/zinc/60/57/57/411605757.db2.gz YTUWTYGNEIAMKV-YPMHNXCESA-N 0 1 242.326 2.464 20 0 BEADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccncc1 ZINC000657819763 411605785 /nfs/dbraw/zinc/60/57/85/411605785.db2.gz YTUWTYGNEIAMKV-DGCLKSJQSA-N 0 1 242.326 2.464 20 0 BEADMN CCn1cnnc1CN[C@H](C)C(C)(C)C(F)F ZINC000657838002 411609944 /nfs/dbraw/zinc/60/99/44/411609944.db2.gz MCDCFWBWPQCBFO-MRVPVSSYSA-N 0 1 246.305 2.067 20 0 BEADMN C[C@H]1CN(Cc2cnc3ccccc3n2)[C@H]1C ZINC000660640255 411610982 /nfs/dbraw/zinc/61/09/82/411610982.db2.gz OJSRNUNDPVVRPP-QWRGUYRKSA-N 0 1 227.311 2.470 20 0 BEADMN Oc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000657864299 411613259 /nfs/dbraw/zinc/61/32/59/411613259.db2.gz MUUCASZVGOFIAF-ZDUSSCGKSA-N 0 1 243.310 2.213 20 0 BEADMN COC[C@@]1(C)CCN(Cc2nc(C)oc2C)C1 ZINC000660669626 411615743 /nfs/dbraw/zinc/61/57/43/411615743.db2.gz OAZWXRAIZVFMCS-ZDUSSCGKSA-N 0 1 238.331 2.150 20 0 BEADMN CN(Cc1ccccn1)[C@@H]1COC(C)(C)C1 ZINC000660680744 411617228 /nfs/dbraw/zinc/61/72/28/411617228.db2.gz WSTDHBYAECWKJZ-LBPRGKRZSA-N 0 1 220.316 2.081 20 0 BEADMN CC(C)=CCNC(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660745106 411620204 /nfs/dbraw/zinc/62/02/04/411620204.db2.gz JYRXQERORZUFBM-UHFFFAOYSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2CCC2)n1 ZINC000660747420 411620532 /nfs/dbraw/zinc/62/05/32/411620532.db2.gz IJBICDAZXQSXQE-UHFFFAOYSA-N 0 1 235.331 2.115 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+][C@@H]2C=CCCC2)n1 ZINC000660745674 411620543 /nfs/dbraw/zinc/62/05/43/411620543.db2.gz FVIXVANLRRUDFK-LLVKDONJSA-N 0 1 247.342 2.424 20 0 BEADMN Cc1cc(=O)[nH]c(C(C)(C)N[C@@H]2C=CCCC2)n1 ZINC000660745674 411620544 /nfs/dbraw/zinc/62/05/44/411620544.db2.gz FVIXVANLRRUDFK-LLVKDONJSA-N 0 1 247.342 2.424 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000663314879 411622232 /nfs/dbraw/zinc/62/22/32/411622232.db2.gz BRICSTJSCAREEI-VTGPFMDVSA-N 0 1 249.285 2.436 20 0 BEADMN CC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000663661133 411716326 /nfs/dbraw/zinc/71/63/26/411716326.db2.gz NXLHFDAVKSXBLC-GWCFXTLKSA-N 0 1 247.342 2.179 20 0 BEADMN COc1cc(CN(C)C(C)(C)C)sn1 ZINC000660903403 411665322 /nfs/dbraw/zinc/66/53/22/411665322.db2.gz OJJGXYCNBYSNDF-UHFFFAOYSA-N 0 1 214.334 2.382 20 0 BEADMN CC(C)CNC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927716 411678840 /nfs/dbraw/zinc/67/88/40/411678840.db2.gz FZKGSIFFJORLSQ-AVGNSLFASA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ncc(CN2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000660932726 411680990 /nfs/dbraw/zinc/68/09/90/411680990.db2.gz CKQOYNRPSVIWFW-STQMWFEESA-N 0 1 217.316 2.159 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccncc1Cl ZINC000661084408 411697626 /nfs/dbraw/zinc/69/76/26/411697626.db2.gz FJGBKYQYXYLSJI-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN CC(C)(C)OCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000133274878 411699719 /nfs/dbraw/zinc/69/97/19/411699719.db2.gz JLJYECGEZBKHBL-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1nsc(C)c1CN(C)Cc1cnc[nH]1 ZINC000661091413 411701485 /nfs/dbraw/zinc/70/14/85/411701485.db2.gz YHYZPTSEGBMUDT-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nnc(C)o1 ZINC000661230785 411737314 /nfs/dbraw/zinc/73/73/14/411737314.db2.gz DMNJRLXKSGFNSW-QMMMGPOBSA-N 0 1 211.309 2.292 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCc1cccnc1 ZINC000661462287 411780062 /nfs/dbraw/zinc/78/00/62/411780062.db2.gz HRPFZCZRQQVZBZ-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H]1COC2(CCC2)C[N@H+]1CC[C@H]1CCCO1 ZINC000661469590 411783634 /nfs/dbraw/zinc/78/36/34/411783634.db2.gz NTFKUTVCYVOZGI-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@H]1CCN(CCc2cncs2)C[C@H]1F ZINC000663691374 411724452 /nfs/dbraw/zinc/72/44/52/411724452.db2.gz ULIJJNCPFAOGQX-GXSJLCMTSA-N 0 1 228.336 2.366 20 0 BEADMN CN(Cc1cn(C)nn1)CC1CCCCCC1 ZINC000661746177 411864456 /nfs/dbraw/zinc/86/44/56/411864456.db2.gz WXNUCOAZZHJCDA-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN CCCC[C@@H](CC)CN(C)Cc1cn(C)nn1 ZINC000661746312 411864626 /nfs/dbraw/zinc/86/46/26/411864626.db2.gz YXCDNTHRUFZFNX-GFCCVEGCSA-N 0 1 238.379 2.463 20 0 BEADMN CO[C@H](CC(C)C)CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661540119 411799983 /nfs/dbraw/zinc/79/99/83/411799983.db2.gz XSZVAVBVQUWGQZ-JHJVBQTASA-N 0 1 241.375 2.204 20 0 BEADMN C[C@@H]1CN([C@H]2C=CCCC2)C[C@@H](C)C1=O ZINC000661550799 411801725 /nfs/dbraw/zinc/80/17/25/411801725.db2.gz KYGZEXVKYLNONA-UTUOFQBUSA-N 0 1 207.317 2.252 20 0 BEADMN Cn1ncnc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000661578238 411808193 /nfs/dbraw/zinc/80/81/93/411808193.db2.gz KDNQCHLOFUWXFT-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CC2=CCCOC2)cn1 ZINC000661654579 411831861 /nfs/dbraw/zinc/83/18/61/411831861.db2.gz ZVUXPIICANBJLD-GFCCVEGCSA-N 0 1 247.342 2.125 20 0 BEADMN CCC1(CC)CCCN(Cc2cn(C)nn2)C1 ZINC000661671704 411832989 /nfs/dbraw/zinc/83/29/89/411832989.db2.gz GOQKHCGSOFIEAZ-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN Cc1nc([C@@H](C)N2CCC[C@H](CCF)C2)n[nH]1 ZINC000661690433 411841714 /nfs/dbraw/zinc/84/17/14/411841714.db2.gz QIUURMVNJCAIJW-MWLCHTKSSA-N 0 1 240.326 2.246 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000661711969 411853348 /nfs/dbraw/zinc/85/33/48/411853348.db2.gz HHRMIGHTFCSCRY-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1cccc(Cl)c1)CC2 ZINC000661711969 411853352 /nfs/dbraw/zinc/85/33/52/411853352.db2.gz HHRMIGHTFCSCRY-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000661713189 411853761 /nfs/dbraw/zinc/85/37/61/411853761.db2.gz FHPRBOGHNCQKMF-SJPZSHDVSA-N 0 1 229.323 2.157 20 0 BEADMN COCC[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661713177 411854567 /nfs/dbraw/zinc/85/45/67/411854567.db2.gz ZEKOXQFYWXMXBU-OAHLLOKOSA-N 0 1 249.354 2.305 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@H](C)O1 ZINC000661854317 411903344 /nfs/dbraw/zinc/90/33/44/411903344.db2.gz AVBICZBDVYCRCH-NEPJUHHUSA-N 0 1 220.316 2.081 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1C ZINC000265198854 170790504 /nfs/dbraw/zinc/79/05/04/170790504.db2.gz JADWMRNPAUQBME-APPZFPTMSA-N 0 1 223.320 2.191 20 0 BEADMN CC(C)c1cnc(N(C)CC2CN(C)C2)s1 ZINC000664332185 411924454 /nfs/dbraw/zinc/92/44/54/411924454.db2.gz VMDUACMOQYRJRT-UHFFFAOYSA-N 0 1 239.388 2.264 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661972001 411928604 /nfs/dbraw/zinc/92/86/04/411928604.db2.gz KIORBIPYFZVAQN-JHJVBQTASA-N 0 1 244.338 2.355 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000664386940 411938397 /nfs/dbraw/zinc/93/83/97/411938397.db2.gz SSEPLCWKADGOCP-LPEHRKFASA-N 0 1 243.314 2.153 20 0 BEADMN CC[C@H](NCc1nc(C(C)C)no1)C1CC1 ZINC000661758208 411869397 /nfs/dbraw/zinc/86/93/97/411869397.db2.gz PHNFLHJVXDWRPH-JTQLQIEISA-N 0 1 223.320 2.471 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000661764717 411876056 /nfs/dbraw/zinc/87/60/56/411876056.db2.gz JTCFSIUDWYUVCT-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000661767606 411878715 /nfs/dbraw/zinc/87/87/15/411878715.db2.gz NJXNFYHMQSJCKG-JOYOIKCWSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000661772945 411882901 /nfs/dbraw/zinc/88/29/01/411882901.db2.gz NQFRYROWXGSGCS-ZWNOBZJWSA-N 0 1 223.291 2.171 20 0 BEADMN Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)s1 ZINC000661772258 411882931 /nfs/dbraw/zinc/88/29/31/411882931.db2.gz QEXIIGSVVWXDKP-MWLCHTKSSA-N 0 1 240.372 2.105 20 0 BEADMN CCCn1ncnc1CNC1(CC(C)C)CC1 ZINC000662065722 411967918 /nfs/dbraw/zinc/96/79/18/411967918.db2.gz AGFWXTDWIHCHES-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN Cc1nnc([C@H](C)NC2(CC(C)C)CC2)[nH]1 ZINC000662066436 411968430 /nfs/dbraw/zinc/96/84/30/411968430.db2.gz LXMOZGXPEXFPOY-VIFPVBQESA-N 0 1 222.336 2.342 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000662071332 411972196 /nfs/dbraw/zinc/97/21/96/411972196.db2.gz JNGNKSZVUQBKAN-JTQLQIEISA-N 0 1 249.362 2.237 20 0 BEADMN Fc1ccc(CN2CCC3(COC3)C2)c(F)c1 ZINC000662073629 411974560 /nfs/dbraw/zinc/97/45/60/411974560.db2.gz VZWKVHDOJSWKLO-UHFFFAOYSA-N 0 1 239.265 2.187 20 0 BEADMN Fc1cccc(CN2CCC3(COC3)C2)c1F ZINC000662080194 411979108 /nfs/dbraw/zinc/97/91/08/411979108.db2.gz RKVOTAVFBLCIOK-UHFFFAOYSA-N 0 1 239.265 2.187 20 0 BEADMN CO[C@@]1(C)C[C@H]1Nc1ccnc(C)c1Cl ZINC000664606838 411997966 /nfs/dbraw/zinc/99/79/66/411997966.db2.gz VTQKFBVKVKRNSJ-KOLCDFICSA-N 0 1 226.707 2.055 20 0 BEADMN O[C@H]1C[C@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000664645186 412004934 /nfs/dbraw/zinc/00/49/34/412004934.db2.gz ZQKHHUAMHJCRQW-MGCOHNPYSA-N 0 1 232.258 2.309 20 0 BEADMN Cc1nnc(C[N@@H+](CCC2CC2)CC2CC2)[nH]1 ZINC000662178089 412021236 /nfs/dbraw/zinc/02/12/36/412021236.db2.gz RKUWXQIMSFGTJL-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN Cc1nnc(CN(CCC2CC2)CC2CC2)[nH]1 ZINC000662178089 412021239 /nfs/dbraw/zinc/02/12/39/412021239.db2.gz RKUWXQIMSFGTJL-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN Cc1noc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000662036334 411952063 /nfs/dbraw/zinc/95/20/63/411952063.db2.gz CDUAYGUOLXPRSY-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H]3COC[C@H]3C2)o1 ZINC000662036473 411953635 /nfs/dbraw/zinc/95/36/35/411953635.db2.gz RWEVYZOAAQQOEF-QJPTWQEYSA-N 0 1 236.315 2.012 20 0 BEADMN Cn1ccnc1CN1CCC[C@@H](C2CCC2)C1 ZINC000662044222 411959553 /nfs/dbraw/zinc/95/95/53/411959553.db2.gz NGXOSZMBYZKYCS-CYBMUJFWSA-N 0 1 233.359 2.432 20 0 BEADMN CC[N@@H+](Cc1ccncc1Cl)[C@@H](C)C(=O)[O-] ZINC000662214255 412023267 /nfs/dbraw/zinc/02/32/67/412023267.db2.gz FXCSBQZCVFBDGV-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662201479 412024614 /nfs/dbraw/zinc/02/46/14/412024614.db2.gz SUNUMXQUCVSHLJ-GFCCVEGCSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)[C@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664817301 412024872 /nfs/dbraw/zinc/02/48/72/412024872.db2.gz BYZIGWSGCFJSAL-KGLIPLIRSA-N 0 1 248.370 2.481 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1C(=O)[O-] ZINC000662212337 412025832 /nfs/dbraw/zinc/02/58/32/412025832.db2.gz OOGNAKODZWFYFJ-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C)CN(Cc2cnc[nH]2)[C@@H]1c1cccnc1 ZINC000664821595 412027796 /nfs/dbraw/zinc/02/77/96/412027796.db2.gz FECLVKBYACVSLU-CYBMUJFWSA-N 0 1 242.326 2.388 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCC1CCC1 ZINC000662214361 412028212 /nfs/dbraw/zinc/02/82/12/412028212.db2.gz KQCPSOFQEHPVAA-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN CC[N@@H+](CCC1CCCC1)[C@H](C)C(=O)[O-] ZINC000662216090 412029030 /nfs/dbraw/zinc/02/90/30/412029030.db2.gz NBDHSTYINOQLJD-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])C[C@@H]1CC1(C)C ZINC000662231207 412031677 /nfs/dbraw/zinc/03/16/77/412031677.db2.gz BRGSGJINKMTVGY-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662230499 412031976 /nfs/dbraw/zinc/03/19/76/412031976.db2.gz ZUPTVRODFRLERO-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1cncc(CN(C)CC2=CCSC2)c1 ZINC000662265331 412055722 /nfs/dbraw/zinc/05/57/22/412055722.db2.gz WNFBRVLOKXSLRO-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H]1CCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000268105524 171003228 /nfs/dbraw/zinc/00/32/28/171003228.db2.gz BFTJOIAAGOHQSX-RKDXNWHRSA-N 0 1 231.303 2.344 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2c(O)cccc2F)C1 ZINC000129058539 171006406 /nfs/dbraw/zinc/00/64/06/171006406.db2.gz ITYTUROMQNXVGT-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000132965535 171008330 /nfs/dbraw/zinc/00/83/30/171008330.db2.gz AWERZVPCSCGWDF-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000120731515 171008999 /nfs/dbraw/zinc/00/89/99/171008999.db2.gz JHBHIGMGZCOPRY-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000336353958 171009611 /nfs/dbraw/zinc/00/96/11/171009611.db2.gz LDUKWUZEEREXOK-SECBINFHSA-N 0 1 233.315 2.159 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cnccc2N(C)C)C1 ZINC000273688844 171009938 /nfs/dbraw/zinc/00/99/38/171009938.db2.gz LIMHUYKNSNGREA-LLVKDONJSA-N 0 1 247.342 2.020 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000293912534 171022381 /nfs/dbraw/zinc/02/23/81/171022381.db2.gz GLXDXIQHRGMHBU-SNVBAGLBSA-N 0 1 243.310 2.496 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc(C(=O)OC)o1 ZINC000292411447 171023464 /nfs/dbraw/zinc/02/34/64/171023464.db2.gz MDFYMVGSXYKXTM-SECBINFHSA-N 0 1 223.272 2.051 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(C(=O)OC)c(C)o1 ZINC000292570432 171024228 /nfs/dbraw/zinc/02/42/28/171024228.db2.gz ZXVRFBKJDYEBTE-SNVBAGLBSA-N 0 1 237.299 2.359 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc(N(C)C)s1 ZINC000292710711 171025813 /nfs/dbraw/zinc/02/58/13/171025813.db2.gz DELTVDZZZUEVMW-SECBINFHSA-N 0 1 225.361 2.193 20 0 BEADMN CC[C@@H]1CN(CC2CCC2)C[C@@H](C)[S@]1=O ZINC000352868376 171078269 /nfs/dbraw/zinc/07/82/69/171078269.db2.gz LRTNGXAZNRULIA-IXPVHAAZSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000264700133 171084871 /nfs/dbraw/zinc/08/48/71/171084871.db2.gz HYWZDUNHRXDPAM-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000111273037 171086313 /nfs/dbraw/zinc/08/63/13/171086313.db2.gz LRYZRZOIXJOKPF-XQQFMLRXSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000264700132 171086940 /nfs/dbraw/zinc/08/69/40/171086940.db2.gz HYWZDUNHRXDPAM-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CN(Cc2c[nH]nc2C)CCS1 ZINC000093502436 171088315 /nfs/dbraw/zinc/08/83/15/171088315.db2.gz DCBWGRSPDPYPOX-LLVKDONJSA-N 0 1 225.361 2.046 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1O ZINC000270868310 171088975 /nfs/dbraw/zinc/08/89/75/171088975.db2.gz IVHMKPAOSHAXRJ-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(c2ccnc(C)c2Cl)C[C@@H]1O ZINC000336433916 171098253 /nfs/dbraw/zinc/09/82/53/171098253.db2.gz ZMNPWLBAQAOYHA-KOLCDFICSA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)c1ccccc1 ZINC000216598711 171114007 /nfs/dbraw/zinc/11/40/07/171114007.db2.gz PAVCWAMSFVAKSU-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2ccnc(OC)n2)C1 ZINC000294869212 171198397 /nfs/dbraw/zinc/19/83/97/171198397.db2.gz QAHWXVFOJMBIKN-AWEZNQCLSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)c2cnccc2N)C1 ZINC000187794634 171198726 /nfs/dbraw/zinc/19/87/26/171198726.db2.gz RIRCPWRSWYXXLB-AWEZNQCLSA-N 0 1 247.342 2.316 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2ccn(C)n2)C1 ZINC000336235420 171199142 /nfs/dbraw/zinc/19/91/42/171199142.db2.gz RAFIGGRWDRKEAC-ZDUSSCGKSA-N 0 1 221.348 2.432 20 0 BEADMN CC[C@@]1(C)CN(CCc2cccnc2)CCO1 ZINC000190087242 171201840 /nfs/dbraw/zinc/20/18/40/171201840.db2.gz MXCQWUGFEHWFLK-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@@]1(C)CN(C[C@H](O)CCC(C)C)CCO1 ZINC000361337025 171202721 /nfs/dbraw/zinc/20/27/21/171202721.db2.gz PLTRJOYHPBJYKC-KGLIPLIRSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@@]1(CO)CCCN([C@@H](C)c2cnccn2)C1 ZINC000187556885 171210475 /nfs/dbraw/zinc/21/04/75/171210475.db2.gz FNIFUXPPTIXSHD-GXTWGEPZSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(Cl)cn2)C1 ZINC000336504106 171214446 /nfs/dbraw/zinc/21/44/46/171214446.db2.gz YQOKISICRHGYAO-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(F)cc1F)N(C)C ZINC000268754232 171233697 /nfs/dbraw/zinc/23/36/97/171233697.db2.gz WXPPDKIPXHEVFR-LLVKDONJSA-N 0 1 242.269 2.244 20 0 BEADMN CC[C@H](C(=O)Nc1c(C)cccc1F)N(C)C ZINC000298145213 171234308 /nfs/dbraw/zinc/23/43/08/171234308.db2.gz CKNHAFSTTWTTMV-LLVKDONJSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2cc(F)ccc2C1 ZINC000263582399 171237462 /nfs/dbraw/zinc/23/74/62/171237462.db2.gz YPCKGKZNJILFTF-GFCCVEGCSA-N 0 1 237.274 2.047 20 0 BEADMN CC[C@H](C(=O)OC)N1CC[C@@H](C)C(C)(C)C1 ZINC000354031939 171241734 /nfs/dbraw/zinc/24/17/34/171241734.db2.gz RLOXOGOWCOHPAR-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H](C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272132460 171247441 /nfs/dbraw/zinc/24/74/41/171247441.db2.gz SHGLBNOKBRFNLH-JTQLQIEISA-N 0 1 249.358 2.470 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000354470108 171264463 /nfs/dbraw/zinc/26/44/63/171264463.db2.gz OEFYLQRCYLENIS-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000354380889 171265466 /nfs/dbraw/zinc/26/54/66/171265466.db2.gz IVNBIHOZWMUJGR-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CONC(=O)C1=C(C)OCCS1 ZINC000293862984 171289130 /nfs/dbraw/zinc/28/91/30/171289130.db2.gz XXIZJJUDGZPZMC-QMMMGPOBSA-N 0 1 245.344 2.075 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000268015125 171297440 /nfs/dbraw/zinc/29/74/40/171297440.db2.gz AUOYYEIPLZLSDO-UWVGGRQHSA-N 0 1 237.347 2.202 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000361842390 171297678 /nfs/dbraw/zinc/29/76/78/171297678.db2.gz IXHXYEYWVOIKJY-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)N(CC(=O)OC)[C@@H]1C=CCCC1 ZINC000337250403 171312036 /nfs/dbraw/zinc/31/20/36/171312036.db2.gz QSKDPOOUQADNOU-NWDGAFQWSA-N 0 1 225.332 2.369 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1[nH]nc2ccccc21 ZINC000269160071 171316912 /nfs/dbraw/zinc/31/69/12/171316912.db2.gz XHBVQEFHGDCAPW-VIFPVBQESA-N 0 1 247.298 2.365 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)c2ccccc2)CC1 ZINC000081562713 171318500 /nfs/dbraw/zinc/31/85/00/171318500.db2.gz XGRCNPALAAAYRU-ZDUSSCGKSA-N 0 1 246.354 2.243 20 0 BEADMN CC[C@H](C)N1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352894148 171320920 /nfs/dbraw/zinc/32/09/20/171320920.db2.gz RHGNMOMTQSZRBI-KZWBYHQPSA-N 0 1 217.378 2.016 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357035942 171323783 /nfs/dbraw/zinc/32/37/83/171323783.db2.gz JAFMQCUKSATXEK-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)NCc1cn[nH]c1C ZINC000183415826 171360401 /nfs/dbraw/zinc/36/04/01/171360401.db2.gz VVEYLKJWFVNYNR-DTWKUNHWSA-N 0 1 223.320 2.017 20 0 BEADMN CC[C@H](C)[C@@H](C)N(CC(=O)OC)C1CC1 ZINC000104966084 171362020 /nfs/dbraw/zinc/36/20/20/171362020.db2.gz CLPUWXUOWMFOGQ-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000330944732 171363635 /nfs/dbraw/zinc/36/36/35/171363635.db2.gz GMRYTUWBHXSLRZ-AXFHLTTASA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(C)no1 ZINC000309169167 171366583 /nfs/dbraw/zinc/36/65/83/171366583.db2.gz KOLVLAMHAANLCH-DJLDLDEBSA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1cscn1 ZINC000127854037 171378213 /nfs/dbraw/zinc/37/82/13/171378213.db2.gz DALAYPKAABHTLK-QXEWZRGKSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2ccsc2)n[nH]1 ZINC000662344062 412114188 /nfs/dbraw/zinc/11/41/88/412114188.db2.gz DFNLCPORRPMXDI-QMMMGPOBSA-N 0 1 236.344 2.368 20 0 BEADMN CCNC(=O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662345495 412114567 /nfs/dbraw/zinc/11/45/67/412114567.db2.gz ZNOJTQXZVLGKOT-HNNXBMFYSA-N 0 1 246.354 2.038 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)[C@@H]1C ZINC000665166465 412117055 /nfs/dbraw/zinc/11/70/55/412117055.db2.gz ZRWXENWREBQJNZ-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](OCC)C1 ZINC000132596473 412120785 /nfs/dbraw/zinc/12/07/85/412120785.db2.gz XOJGWEIUOPFATR-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H]1CN(CCCCF)C[C@](C)(C(F)F)O1 ZINC000662359634 412124564 /nfs/dbraw/zinc/12/45/64/412124564.db2.gz MGINHNZNGSGPOU-MWLCHTKSSA-N 0 1 239.281 2.481 20 0 BEADMN CC[C@@H](C)N1CCO[C@@](C)(C(F)F)C1 ZINC000662369608 412127619 /nfs/dbraw/zinc/12/76/19/412127619.db2.gz UXVQAOIPFCGKDX-PSASIEDQSA-N 0 1 207.264 2.141 20 0 BEADMN CCCCN1CCO[C@@](C)(C(F)F)C1 ZINC000662376994 412129206 /nfs/dbraw/zinc/12/92/06/412129206.db2.gz YEUXUZXZGIJHOF-SNVBAGLBSA-N 0 1 207.264 2.143 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N1CC2CC1(C)C2 ZINC000662381714 412133897 /nfs/dbraw/zinc/13/38/97/412133897.db2.gz CADFKZFVYMBNRH-XIKARTHZSA-N 0 1 244.338 2.498 20 0 BEADMN Cc1ccc(NC(=O)CN2CC3CC2(C)C3)cc1 ZINC000662382946 412135874 /nfs/dbraw/zinc/13/58/74/412135874.db2.gz FXTPOTHZPORSMJ-UHFFFAOYSA-N 0 1 244.338 2.418 20 0 BEADMN CC[C@H](NCc1ccco1)[C@@H](O)C(F)(F)F ZINC000270860294 171530993 /nfs/dbraw/zinc/53/09/93/171530993.db2.gz CTVWASBNPONDDJ-DTWKUNHWSA-N 0 1 237.221 2.071 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cncs1 ZINC000665350257 412279961 /nfs/dbraw/zinc/27/99/61/412279961.db2.gz JCTCULODBXJTLE-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cncs1 ZINC000665350257 412279963 /nfs/dbraw/zinc/27/99/63/412279963.db2.gz JCTCULODBXJTLE-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CCSC1 ZINC000665350976 412281089 /nfs/dbraw/zinc/28/10/89/412281089.db2.gz LIPDBHPIERGGGZ-SNVBAGLBSA-N 0 1 245.388 2.172 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCSC1 ZINC000665350975 412281231 /nfs/dbraw/zinc/28/12/31/412281231.db2.gz LIPDBHPIERGGGZ-JTQLQIEISA-N 0 1 245.388 2.172 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000665284470 412230742 /nfs/dbraw/zinc/23/07/42/412230742.db2.gz LVSOBECIDKSZQJ-LLVKDONJSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000665284439 412231823 /nfs/dbraw/zinc/23/18/23/412231823.db2.gz LCDJTRJCNHRZHP-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN CCc1noc(CN2CC[C@H](C3CCC3)C2)n1 ZINC000665284799 412232268 /nfs/dbraw/zinc/23/22/68/412232268.db2.gz VMZWRTKNWUDBKC-NSHDSACASA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cnc(CN2CC[C@H](C3CCC3)C2)nc1 ZINC000665288170 412233216 /nfs/dbraw/zinc/23/32/16/412233216.db2.gz GGXVZNCDTWAVIJ-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H](N)c1ccccc1 ZINC000662626333 412245741 /nfs/dbraw/zinc/24/57/41/412245741.db2.gz GDIGVLWUHXIHSD-DGCLKSJQSA-N 0 1 234.343 2.239 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000662853899 412324193 /nfs/dbraw/zinc/32/41/93/412324193.db2.gz JYIXVWDXZWWIAK-IUODEOHRSA-N 0 1 248.370 2.413 20 0 BEADMN Cc1cc(C(F)(F)F)cc(NCCC(=O)[O-])[nH+]1 ZINC000662878551 412333838 /nfs/dbraw/zinc/33/38/38/412333838.db2.gz VJSZHTHGWBGXAX-UHFFFAOYSA-N 0 1 248.204 2.295 20 0 BEADMN Cc1cc[nH+]c(N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000662892727 412337270 /nfs/dbraw/zinc/33/72/70/412337270.db2.gz HJKRBZCQJRYIEQ-WDEREUQCSA-N 0 1 234.299 2.080 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)N1CCNC[C@@H]1C ZINC000662763280 412293539 /nfs/dbraw/zinc/29/35/39/412293539.db2.gz UVMIOTUSFRYZLZ-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)N1CCNC[C@@H]1C ZINC000662763278 412293764 /nfs/dbraw/zinc/29/37/64/412293764.db2.gz UVMIOTUSFRYZLZ-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN Fc1ccc(-c2nc([C@@H]3CCCN3)no2)s1 ZINC000663251817 412401485 /nfs/dbraw/zinc/40/14/85/412401485.db2.gz SJQRGIJDITYWBR-LURJTMIESA-N 0 1 239.275 2.362 20 0 BEADMN CCc1ccc([C@H](COC)NCc2cnc[nH]2)o1 ZINC000174481288 171842231 /nfs/dbraw/zinc/84/22/31/171842231.db2.gz VQDBNTNSWZHIAM-LBPRGKRZSA-N 0 1 249.314 2.042 20 0 BEADMN CCc1nnc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000338539767 172000417 /nfs/dbraw/zinc/00/04/17/172000417.db2.gz MCKOQOBJTIWQFD-AYMMMOKOSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1n[nH]c(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000338539767 172000418 /nfs/dbraw/zinc/00/04/18/172000418.db2.gz MCKOQOBJTIWQFD-AYMMMOKOSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1nnc(SCC2(COC)CCC2)[nH]1 ZINC000359175877 172000430 /nfs/dbraw/zinc/00/04/30/172000430.db2.gz KXANAWDJKVRLAD-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN CCc1n[nH]c(SCC2(COC)CCC2)n1 ZINC000359175877 172000431 /nfs/dbraw/zinc/00/04/31/172000431.db2.gz KXANAWDJKVRLAD-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN CCc1nnc([C@@H](C)NC2CC(CC)C2)[nH]1 ZINC000336721822 172002665 /nfs/dbraw/zinc/00/26/65/172002665.db2.gz DOJFVIVSILTQNP-XNWIYYODSA-N 0 1 222.336 2.206 20 0 BEADMN CCc1nc([C@H](C)NC[C@@H](O)CC)cs1 ZINC000184705862 172005365 /nfs/dbraw/zinc/00/53/65/172005365.db2.gz OBCKJMMLJYYWEI-IUCAKERBSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1ccc(CN[C@@H](C)c2n[nH]c(CC)n2)o1 ZINC000270620984 172005593 /nfs/dbraw/zinc/00/55/93/172005593.db2.gz CFXNHNLJKNWGNO-VIFPVBQESA-N 0 1 248.330 2.373 20 0 BEADMN CCc1nc([C@H](C)NCCCOC)cs1 ZINC000184675560 172005757 /nfs/dbraw/zinc/00/57/57/172005757.db2.gz OGUKPLITFHRPRT-VIFPVBQESA-N 0 1 228.361 2.393 20 0 BEADMN CCc1nc([C@H](C)NCc2cnc[nH]2)cs1 ZINC000163964533 172005850 /nfs/dbraw/zinc/00/58/50/172005850.db2.gz KHFYNZKOXDSBSN-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CCc1nc([C@H](C)NC(=O)C2=CCCCC2)n[nH]1 ZINC000276119254 172006214 /nfs/dbraw/zinc/00/62/14/172006214.db2.gz BCVZBWDSXOHHCC-VIFPVBQESA-N 0 1 248.330 2.045 20 0 BEADMN CCc1ncc(CN[C@H](C)CF)s1 ZINC000288432636 172021167 /nfs/dbraw/zinc/02/11/67/172021167.db2.gz LCOAEFVYIANKSI-SSDOTTSWSA-N 0 1 202.298 2.153 20 0 BEADMN CCc1nn(C)c(Cl)c1CN(C)CC1CC1 ZINC000122885668 172038322 /nfs/dbraw/zinc/03/83/22/172038322.db2.gz ILRIAWQYBPKPML-UHFFFAOYSA-N 0 1 241.766 2.478 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@H]2CC)o1 ZINC000336710595 172050813 /nfs/dbraw/zinc/05/08/13/172050813.db2.gz ZUDPFHMTJGAAEC-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN2[C@H](C)CCC2(C)C)o1 ZINC000336303145 172052027 /nfs/dbraw/zinc/05/20/27/172052027.db2.gz SCGWRBGWYQHEKT-SECBINFHSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CN[C@@H](C)CCCOC)s1 ZINC000309628620 172052228 /nfs/dbraw/zinc/05/22/28/172052228.db2.gz HEOHDMXUKDFOCS-VIFPVBQESA-N 0 1 243.376 2.005 20 0 BEADMN CCc1nnc(CN2[C@H](CC)CC[C@@H]2C)o1 ZINC000357558114 172052506 /nfs/dbraw/zinc/05/25/06/172052506.db2.gz ZWKTVWCRLUQTDT-VHSXEESVSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CN[C@@H]2CCCSC2)s1 ZINC000309059677 172053912 /nfs/dbraw/zinc/05/39/12/172053912.db2.gz VUVBDLFGDAHRNN-MRVPVSSYSA-N 0 1 243.401 2.086 20 0 BEADMN CCc1nc(SCC(=O)CC(C)(C)C)n[nH]1 ZINC000286519237 172062732 /nfs/dbraw/zinc/06/27/32/172062732.db2.gz JLQOQYYWALPNRF-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CCc1n[nH]c(SCC(=O)CC(C)(C)C)n1 ZINC000286519237 172062733 /nfs/dbraw/zinc/06/27/33/172062733.db2.gz JLQOQYYWALPNRF-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C)[C@@H]2C)o1 ZINC000361340521 172065926 /nfs/dbraw/zinc/06/59/26/172065926.db2.gz FPRAUSSLRVQKKY-GUBZILKMSA-N 0 1 223.320 2.423 20 0 BEADMN CCc1noc(C)c1CN(CC)CCOC ZINC000268167202 172075618 /nfs/dbraw/zinc/07/56/18/172075618.db2.gz PYEAWOXGKKLAHQ-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN CCc1noc(C)c1CN1C[C@H](C)[C@@H]1C ZINC000293478883 172078378 /nfs/dbraw/zinc/07/83/78/172078378.db2.gz RQWHIVNMYPWVSO-IUCAKERBSA-N 0 1 208.305 2.386 20 0 BEADMN CCc1noc(CC)c1CNCc1[nH]ncc1C ZINC000289609340 172083721 /nfs/dbraw/zinc/08/37/21/172083721.db2.gz VOMQZSQNWBBINY-UHFFFAOYSA-N 0 1 248.330 2.121 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@@H](C)C2)n1 ZINC000336582028 172091125 /nfs/dbraw/zinc/09/11/25/172091125.db2.gz KPTHIWIXSGXZBB-BDAKNGLRSA-N 0 1 209.293 2.035 20 0 BEADMN CCc1nsc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC000271292312 172107872 /nfs/dbraw/zinc/10/78/72/172107872.db2.gz FCRINUHPLSGNLW-QMMMGPOBSA-N 0 1 249.343 2.313 20 0 BEADMN CCc1oc(CN2CCCC2)cc1C(=O)OC ZINC000338923305 172112839 /nfs/dbraw/zinc/11/28/39/172112839.db2.gz HDHYCCLCFDZWBU-UHFFFAOYSA-N 0 1 237.299 2.224 20 0 BEADMN CCn1cc([C@H](C)NCc2cccn2C)cn1 ZINC000269020282 172196935 /nfs/dbraw/zinc/19/69/35/172196935.db2.gz ZPIWVOFXIHTUSR-NSHDSACASA-N 0 1 232.331 2.092 20 0 BEADMN CCn1cc([C@H](C)N[C@H](C)c2cn[nH]c2)cn1 ZINC000222520871 172198308 /nfs/dbraw/zinc/19/83/08/172198308.db2.gz OTGDOOJCFJEFSF-ZJUUUORDSA-N 0 1 233.319 2.038 20 0 BEADMN CCn1cc[nH+]c1C[N-]c1nc(C(C)C)no1 ZINC000271978660 172225983 /nfs/dbraw/zinc/22/59/83/172225983.db2.gz YLMIDIPWGHMPGC-UHFFFAOYSA-N 0 1 235.291 2.022 20 0 BEADMN CCn1nccc1CN(C)CCCSC ZINC000281162545 172263949 /nfs/dbraw/zinc/26/39/49/172263949.db2.gz GGKLJXWAYBPDQT-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CCn1nccc1CN(CCOC)CC(C)C ZINC000124106631 172267094 /nfs/dbraw/zinc/26/70/94/172267094.db2.gz ZMEWXRPQJFFGRD-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN CCn1nccc1CN1CCS[C@@H](C)[C@@H]1C ZINC000127796952 172267181 /nfs/dbraw/zinc/26/71/81/172267181.db2.gz LSTSVQSHYVLZOP-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1nccc1CNc1ccc2c(n1)CCC2 ZINC000294924478 172274851 /nfs/dbraw/zinc/27/48/51/172274851.db2.gz TZNWDURMTFQFKO-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN CCn1ncnc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000336326012 172278319 /nfs/dbraw/zinc/27/83/19/172278319.db2.gz MQGFYRXETBBIBB-NEPJUHHUSA-N 0 1 248.374 2.309 20 0 BEADMN CCn1nnc(C)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000336222174 172286820 /nfs/dbraw/zinc/28/68/20/172286820.db2.gz ZURQCJBFTNLDAL-OLZOCXBDSA-N 0 1 248.374 2.371 20 0 BEADMN CN(C(=O)C(C)(C)c1c[nH]cn1)C1CCCCC1 ZINC000335756777 172296225 /nfs/dbraw/zinc/29/62/25/172296225.db2.gz GUHDXOHFHOANQG-UHFFFAOYSA-N 0 1 249.358 2.478 20 0 BEADMN CN(C(=O)c1[nH]nc2ccc(Cl)cc21)C1CC1 ZINC000278831470 172347485 /nfs/dbraw/zinc/34/74/85/172347485.db2.gz JSKCBYICLHLKSQ-UHFFFAOYSA-N 0 1 249.701 2.451 20 0 BEADMN CN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000129473235 172387746 /nfs/dbraw/zinc/38/77/46/172387746.db2.gz PRWYGKSYGDKXQA-UHFFFAOYSA-N 0 1 221.304 2.159 20 0 BEADMN CN(C)CC(=O)NCc1csc2ccccc12 ZINC000340068533 172416990 /nfs/dbraw/zinc/41/69/90/172416990.db2.gz ATXFBRCUBZRPBZ-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCCC(C)(C)C1CC1 ZINC000360754109 173024319 /nfs/dbraw/zinc/02/43/19/173024319.db2.gz MIKOQKSBPQNTIA-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC1(C)C ZINC000360853932 173026230 /nfs/dbraw/zinc/02/62/30/173026230.db2.gz SNSWSBYYNQGWOW-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCC[C@H]1C(=O)NCC1(C)CCCCC1 ZINC000356785529 173048433 /nfs/dbraw/zinc/04/84/33/173048433.db2.gz UYKNLUSFCZCRTE-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000113415692 173049742 /nfs/dbraw/zinc/04/97/42/173049742.db2.gz QUYRBBFOCYYXTB-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN CNC(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000037253966 173278139 /nfs/dbraw/zinc/27/81/39/173278139.db2.gz KGOSYTGZAUOTEB-JTQLQIEISA-N 0 1 246.310 2.138 20 0 BEADMN CNC(=O)CN[C@H](C)c1oc2ccccc2c1C ZINC000037253964 173278739 /nfs/dbraw/zinc/27/87/39/173278739.db2.gz KGOSYTGZAUOTEB-SNVBAGLBSA-N 0 1 246.310 2.138 20 0 BEADMN CNCc1nc(Cc2ccccc2)cs1 ZINC000070601613 173395357 /nfs/dbraw/zinc/39/53/57/173395357.db2.gz AKPPDCLXYWWWCV-UHFFFAOYSA-N 0 1 218.325 2.453 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000054053203 173421106 /nfs/dbraw/zinc/42/11/06/173421106.db2.gz HAPXARHOWZWKEZ-ZETCQYMHSA-N 0 1 221.235 2.156 20 0 BEADMN COC1(C(=O)Nc2ccc3nc[nH]c3c2)CCC1 ZINC000273054509 173973946 /nfs/dbraw/zinc/97/39/46/173973946.db2.gz WBWXKEIINNWZAX-UHFFFAOYSA-N 0 1 245.282 2.071 20 0 BEADMN COC1CCN(Cc2cnc(C)s2)CC1 ZINC000299118782 174030621 /nfs/dbraw/zinc/03/06/21/174030621.db2.gz FFXXCVQZEKKIBV-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN COCC1CCN([C@H](C)c2ncc(C)o2)CC1 ZINC000356971887 174119818 /nfs/dbraw/zinc/11/98/18/174119818.db2.gz BQQNSNQFOMUUPP-LLVKDONJSA-N 0 1 238.331 2.402 20 0 BEADMN COCCC(=O)Nc1cccc(Cl)c1O ZINC000077012770 174137804 /nfs/dbraw/zinc/13/78/04/174137804.db2.gz MXFWIIFHHORTHF-UHFFFAOYSA-N 0 1 229.663 2.021 20 0 BEADMN COCCCCCN[C@@H](C)c1cc(C)on1 ZINC000282819510 174183491 /nfs/dbraw/zinc/18/34/91/174183491.db2.gz RTFHQJPUGWLCMY-NSHDSACASA-N 0 1 226.320 2.450 20 0 BEADMN COCCCCN[C@@H](C)c1cc(C)on1 ZINC000282492268 174201428 /nfs/dbraw/zinc/20/14/28/174201428.db2.gz HUTFMWIIIQELAE-JTQLQIEISA-N 0 1 212.293 2.060 20 0 BEADMN COCCCN1CCc2c(F)cc(F)cc2C1 ZINC000120980922 174232178 /nfs/dbraw/zinc/23/21/78/174232178.db2.gz ZWPFVGVYJQNAJU-UHFFFAOYSA-N 0 1 241.281 2.359 20 0 BEADMN COCCCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066851932 174235446 /nfs/dbraw/zinc/23/54/46/174235446.db2.gz YRMWRQKTRLTKMR-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN COCCC[C@H](C)N[C@@H](C)c1nnc(C)s1 ZINC000309678154 174264251 /nfs/dbraw/zinc/26/42/51/174264251.db2.gz YMUZTOBNRNBWPU-IUCAKERBSA-N 0 1 243.376 2.312 20 0 BEADMN COCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053427649 174280566 /nfs/dbraw/zinc/28/05/66/174280566.db2.gz ZSEFJQWHTZKVQI-CMPLNLGQSA-N 0 1 223.316 2.481 20 0 BEADMN COCCN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000127129196 174281074 /nfs/dbraw/zinc/28/10/74/174281074.db2.gz DGTYUQHEHHBSBV-UHFFFAOYSA-N 0 1 249.354 2.478 20 0 BEADMN COCCN(C)Cc1ccc(Br)o1 ZINC000048052849 174281227 /nfs/dbraw/zinc/28/12/27/174281227.db2.gz HNCXYGHRZQXBJF-UHFFFAOYSA-N 0 1 248.120 2.120 20 0 BEADMN COCCN(C)Cc1ccc(F)c(F)c1 ZINC000044438725 174281332 /nfs/dbraw/zinc/28/13/32/174281332.db2.gz GYPZDHDQQAZUSY-UHFFFAOYSA-N 0 1 215.243 2.043 20 0 BEADMN COCCN(C)Cc1cnc2ccccc2c1 ZINC000271040832 174281467 /nfs/dbraw/zinc/28/14/67/174281467.db2.gz MJKQGZFAVBNWHX-UHFFFAOYSA-N 0 1 230.311 2.313 20 0 BEADMN COCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000272357705 174282710 /nfs/dbraw/zinc/28/27/10/174282710.db2.gz VWUKEJHPVIEOHG-JTQLQIEISA-N 0 1 234.299 2.467 20 0 BEADMN COCCN(C)c1ccnc2cc(F)ccc21 ZINC000301246932 174284043 /nfs/dbraw/zinc/28/40/43/174284043.db2.gz HWXPLIHGRSVCGZ-UHFFFAOYSA-N 0 1 234.274 2.457 20 0 BEADMN COCCN([C@H](C)c1ccco1)C1CC1 ZINC000119172252 174284856 /nfs/dbraw/zinc/28/48/56/174284856.db2.gz ZFBILXLIGBOVIL-SNVBAGLBSA-N 0 1 209.289 2.451 20 0 BEADMN COCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119172150 174285150 /nfs/dbraw/zinc/28/51/50/174285150.db2.gz ZFBILXLIGBOVIL-JTQLQIEISA-N 0 1 209.289 2.451 20 0 BEADMN COCCN(CCCF)Cc1ccco1 ZINC000120960015 174291060 /nfs/dbraw/zinc/29/10/60/174291060.db2.gz AUXKZTATDBRHOY-UHFFFAOYSA-N 0 1 215.268 2.088 20 0 BEADMN COCC[N@@H+](CCO)C/C(C)=C/c1ccccc1 ZINC000093005927 174293835 /nfs/dbraw/zinc/29/38/35/174293835.db2.gz ADDIRFAKELCOMY-WYMLVPIESA-N 0 1 249.354 2.031 20 0 BEADMN COCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019881239 174335791 /nfs/dbraw/zinc/33/57/91/174335791.db2.gz QDXDHALJAKVSBP-ONGXEEELSA-N 0 1 209.289 2.139 20 0 BEADMN COCCNc1ccnc(C)c1Cl ZINC000306481497 174342148 /nfs/dbraw/zinc/34/21/48/174342148.db2.gz NXCQFJKMNWRCFW-UHFFFAOYSA-N 0 1 200.669 2.102 20 0 BEADMN COCCOCCN1Cc2ccccc2[C@H]1C ZINC000352464420 174355513 /nfs/dbraw/zinc/35/55/13/174355513.db2.gz SZTZAQDGAINHAM-GFCCVEGCSA-N 0 1 235.327 2.226 20 0 BEADMN COCCOCCN1Cc2ccccc2[C@@H]1C ZINC000352464421 174355620 /nfs/dbraw/zinc/35/56/20/174355620.db2.gz SZTZAQDGAINHAM-LBPRGKRZSA-N 0 1 235.327 2.226 20 0 BEADMN COCCOc1cccc(CN[C@@H](C)CF)c1 ZINC000342204849 174369437 /nfs/dbraw/zinc/36/94/37/174369437.db2.gz PRQBIZVUCNRNQK-NSHDSACASA-N 0 1 241.306 2.159 20 0 BEADMN COCC[C@H](NCc1ncccn1)C(C)(C)C ZINC000338349251 174417097 /nfs/dbraw/zinc/41/70/97/174417097.db2.gz GRFFYUBXESKTIB-NSHDSACASA-N 0 1 237.347 2.017 20 0 BEADMN COCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2C)n1 ZINC000330411302 174651200 /nfs/dbraw/zinc/65/12/00/174651200.db2.gz YZBFWXLWXZITIH-LPEHRKFASA-N 0 1 239.319 2.055 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285797203 174705124 /nfs/dbraw/zinc/70/51/24/174705124.db2.gz UGDPBBLDGUEFRU-YUMQZZPRSA-N 0 1 230.258 2.045 20 0 BEADMN CCn1nc(C)c(CNCc2cccnc2)c1C ZINC000066995685 1173064503 /nfs/dbraw/zinc/06/45/03/1173064503.db2.gz SURNJPTVNHDEAG-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN C[C@H](COc1ccccc1F)NCc1cc[nH]n1 ZINC000066989334 1173065114 /nfs/dbraw/zinc/06/51/14/1173065114.db2.gz QLJVNNZBMNFTII-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN C[C@@H](COc1ccccc1F)NCc1cc[nH]n1 ZINC000066989333 1173065568 /nfs/dbraw/zinc/06/55/68/1173065568.db2.gz QLJVNNZBMNFTII-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN Cc1cc(C)cc(OCCNCc2cc[nH]n2)c1 ZINC000066990414 1173065712 /nfs/dbraw/zinc/06/57/12/1173065712.db2.gz YEJRLEKMWYGHPZ-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN COc1ccc(-c2n[nH]cc2CNCCF)cc1 ZINC000280598020 175038043 /nfs/dbraw/zinc/03/80/43/175038043.db2.gz BYXKFPGIKJPASY-UHFFFAOYSA-N 0 1 249.289 2.144 20 0 BEADMN COc1ccc(C)cc1CN[C@@H](C)CF ZINC000336658682 175075759 /nfs/dbraw/zinc/07/57/59/175075759.db2.gz BDGKXJHWYOHZGO-JTQLQIEISA-N 0 1 211.280 2.451 20 0 BEADMN COc1ccc(C)cc1CNCc1cncn1C ZINC000340172830 175075900 /nfs/dbraw/zinc/07/59/00/175075900.db2.gz BSMZDCJMYMFZJG-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN COc1ccc(CNCc2c[nH]nc2C)cc1F ZINC000037989151 175108790 /nfs/dbraw/zinc/10/87/90/175108790.db2.gz APFRJJNOWAQSCI-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN COc1ccc(CNCc2cncs2)cc1 ZINC000054769921 175108813 /nfs/dbraw/zinc/10/88/13/175108813.db2.gz GIAQIHRHAJESLS-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COc1ccc(CN[C@H](C)c2cccnc2)cn1 ZINC000020186183 175111585 /nfs/dbraw/zinc/11/15/85/175111585.db2.gz YLEQVPNOCUUCJV-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1ccc(F)c(CN2CCCC2)c1 ZINC000293992848 175124006 /nfs/dbraw/zinc/12/40/06/175124006.db2.gz FNYORZWJUZVCJL-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN COc1ccc(F)cc1CN(C)C[C@@H](C)OC ZINC000285550255 175129159 /nfs/dbraw/zinc/12/91/59/175129159.db2.gz GLKDLRGYXFZQJY-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN COc1ccc(F)cc1NCc1[nH]ncc1C ZINC000289421724 175132179 /nfs/dbraw/zinc/13/21/79/175132179.db2.gz CRHXILJBWSKVJG-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc([C@@H](C)NCCF)cc1OC ZINC000087774859 175177234 /nfs/dbraw/zinc/17/72/34/175177234.db2.gz RWLBQKAEGCCOQN-SECBINFHSA-N 0 1 227.279 2.324 20 0 BEADMN COc1ccc2c(c1)[C@H](NCCF)CCCO2 ZINC000280876354 175216404 /nfs/dbraw/zinc/21/64/04/175216404.db2.gz AQZOUTALQJGDDL-GFCCVEGCSA-N 0 1 239.290 2.468 20 0 BEADMN COc1cccc(CN2C[C@H]3CCCC[C@H]32)n1 ZINC000377768746 175261699 /nfs/dbraw/zinc/26/16/99/175261699.db2.gz NFXNRXUUVSRFNH-DGCLKSJQSA-N 0 1 232.327 2.465 20 0 BEADMN COc1cccc(CNCc2cccs2)n1 ZINC000069606607 175265881 /nfs/dbraw/zinc/26/58/81/175265881.db2.gz JXCKZMQEFPUWFQ-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COc1cccc(CNCc2conc2C)c1 ZINC000339165572 175265944 /nfs/dbraw/zinc/26/59/44/175265944.db2.gz MNSGCSZXRQBLQM-UHFFFAOYSA-N 0 1 232.283 2.281 20 0 BEADMN COc1cccc(NCc2[nH]ncc2C)c1 ZINC000284135158 175279369 /nfs/dbraw/zinc/27/93/69/175279369.db2.gz SDCOABCDJGEHLK-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1cccc([C@H](C)NCc2cn[nH]c2)c1 ZINC000038005830 175293069 /nfs/dbraw/zinc/29/30/69/175293069.db2.gz GJMADAHPNNNIOH-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000071396683 175311130 /nfs/dbraw/zinc/31/11/30/175311130.db2.gz YMROEHPEOPDCFJ-SNVBAGLBSA-N 0 1 245.282 2.170 20 0 BEADMN COc1ccccc1CN(C)CCn1ccnc1 ZINC000176705045 175324494 /nfs/dbraw/zinc/32/44/94/175324494.db2.gz AVFAXIVCDJWMBH-UHFFFAOYSA-N 0 1 245.326 2.024 20 0 BEADMN COc1ccccc1[C@H](C)NCc1cnn(C)c1 ZINC000020097008 175352295 /nfs/dbraw/zinc/35/22/95/175352295.db2.gz IHNNDFFXTPNFNV-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccnc(CN2CCCC3(CC3)C2)c1 ZINC000274529820 175358583 /nfs/dbraw/zinc/35/85/83/175358583.db2.gz PGTVOOMXHQDLAO-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1ccsc1CN(C)C[C@H]1CCCO1 ZINC000271043818 175376839 /nfs/dbraw/zinc/37/68/39/175376839.db2.gz KJWCNZZJJORVGZ-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN COc1cncc(CN2CC=C(C)CC2)c1 ZINC000289784762 175384712 /nfs/dbraw/zinc/38/47/12/175384712.db2.gz JHNGHAIOJMJSQH-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1cncc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000335673262 175385134 /nfs/dbraw/zinc/38/51/34/175385134.db2.gz ZTVUKXGKNOHMTQ-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN COc1cncc(CN2CC[C@H](SC)C2)c1 ZINC000296118843 175385651 /nfs/dbraw/zinc/38/56/51/175385651.db2.gz FKKWTALBPVCTBG-LBPRGKRZSA-N 0 1 238.356 2.028 20 0 BEADMN C[C@@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000091730199 175757407 /nfs/dbraw/zinc/75/74/07/175757407.db2.gz CNPBRRNWZLJQDF-IUCAKERBSA-N 0 1 240.372 2.053 20 0 BEADMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC000190351874 175854568 /nfs/dbraw/zinc/85/45/68/175854568.db2.gz JYCKTTYPAMJEOH-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H](NCc1cccn1C)c1ccccn1 ZINC000020360452 175901374 /nfs/dbraw/zinc/90/13/74/175901374.db2.gz POBJKIQYRJJUEQ-LLVKDONJSA-N 0 1 215.300 2.271 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](O)C1 ZINC000245516656 176014222 /nfs/dbraw/zinc/01/42/22/176014222.db2.gz QZCQNGKVIPFLFI-WCBMZHEXSA-N 0 1 227.254 2.092 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cnc[nH]1 ZINC000336385351 176014305 /nfs/dbraw/zinc/01/43/05/176014305.db2.gz DZXNMFFNFSMYEO-VIFPVBQESA-N 0 1 247.273 2.382 20 0 BEADMN C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)[O-] ZINC000062015109 176014424 /nfs/dbraw/zinc/01/44/24/176014424.db2.gz DRWAXEZPBBXKJI-QMMMGPOBSA-N 0 1 227.691 2.417 20 0 BEADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000082250073 176015966 /nfs/dbraw/zinc/01/59/66/176015966.db2.gz WQTJBGJOHQJGAZ-VIFPVBQESA-N 0 1 225.263 2.293 20 0 BEADMN C[C@@H](O)CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000309776250 176033940 /nfs/dbraw/zinc/03/39/40/176033940.db2.gz PUADKDQJGFERRL-NEPJUHHUSA-N 0 1 222.332 2.235 20 0 BEADMN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCCC1 ZINC000120839182 176036251 /nfs/dbraw/zinc/03/62/51/176036251.db2.gz FZMVLGBCYJLJEY-LBPRGKRZSA-N 0 1 242.326 2.424 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N(C)CCCO ZINC000281603553 176039543 /nfs/dbraw/zinc/03/95/43/176039543.db2.gz GLVRPKLOTLLZOB-JTQLQIEISA-N 0 1 234.299 2.203 20 0 BEADMN C[C@@H]1C(=O)NCCN1CC1CCC(C)(C)CC1 ZINC000123459215 176045949 /nfs/dbraw/zinc/04/59/49/176045949.db2.gz IKPZCZFRWWKQCO-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCCCN1Cc1ncccn1 ZINC000336634224 176063542 /nfs/dbraw/zinc/06/35/42/176063542.db2.gz KTEHTCMAZJACCK-LLVKDONJSA-N 0 1 205.305 2.241 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@@H](N)c1ccccc1 ZINC000019437787 176068129 /nfs/dbraw/zinc/06/81/29/176068129.db2.gz NHEIHCUBZIFBJT-YPMHNXCESA-N 0 1 232.327 2.087 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC000354291213 176076203 /nfs/dbraw/zinc/07/62/03/176076203.db2.gz HIDFKIGWPWTAOC-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC000354291212 176084537 /nfs/dbraw/zinc/08/45/37/176084537.db2.gz HIDFKIGWPWTAOC-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1ccncc1C(N)=O ZINC000302215018 176085105 /nfs/dbraw/zinc/08/51/05/176085105.db2.gz ITGHZRVEKLLGCB-MNOVXSKESA-N 0 1 247.342 2.419 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)c1ccccc1 ZINC000019428496 176087289 /nfs/dbraw/zinc/08/72/89/176087289.db2.gz WSBQEESNWKTLSS-BNOWGMLFSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000036926563 176101652 /nfs/dbraw/zinc/10/16/52/176101652.db2.gz YZJZPFBXYMWWOW-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1CC(=O)c1cccn1C ZINC000037333388 176115368 /nfs/dbraw/zinc/11/53/68/176115368.db2.gz WOSYYLNARNLGJY-VXGBXAGGSA-N 0 1 234.343 2.471 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(=O)c(O)co1 ZINC000124513310 176115959 /nfs/dbraw/zinc/11/59/59/176115959.db2.gz IMUQIKXEYGEAFN-NXEZZACHSA-N 0 1 237.299 2.108 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000227531622 176117962 /nfs/dbraw/zinc/11/79/62/176117962.db2.gz BJLCVZPACLBYTJ-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000251838032 176118027 /nfs/dbraw/zinc/11/80/27/176118027.db2.gz NYDTWRPXVCUGLT-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cncn2c1 ZINC000283317811 176131256 /nfs/dbraw/zinc/13/12/56/176131256.db2.gz FKKXOBYWIIXLOT-MFKMUULPSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2csnn2)C1 ZINC000037507485 176143938 /nfs/dbraw/zinc/14/39/38/176143938.db2.gz IDUWNJPRSOGHDT-BDAKNGLRSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000037253029 176146029 /nfs/dbraw/zinc/14/60/29/176146029.db2.gz ZFMZDMSQNXUVEM-BDAKNGLRSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000228309660 176163009 /nfs/dbraw/zinc/16/30/09/176163009.db2.gz JVQYDOVJFURFMW-MRVPVSSYSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)[C@@H]1CO ZINC000336505674 176173912 /nfs/dbraw/zinc/17/39/12/176173912.db2.gz AXZBKOBMXFXGRJ-PSASIEDQSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@@H]1CCN(Cc2cc(F)ccc2F)[C@@H]1CO ZINC000189725313 176173923 /nfs/dbraw/zinc/17/39/23/176173923.db2.gz AMGRVHDHYXZUKL-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270673878 176176959 /nfs/dbraw/zinc/17/69/59/176176959.db2.gz XQHJASIQGWQNRB-SECBINFHSA-N 0 1 206.289 2.394 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2cn3cccnc3n2)C1 ZINC000174014468 176198113 /nfs/dbraw/zinc/19/81/13/176198113.db2.gz UAZYZMQXFUSIRV-VXGBXAGGSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(O)c1 ZINC000336616064 176199313 /nfs/dbraw/zinc/19/93/13/176199313.db2.gz VWODBHAOHICBIY-GHMZBOCLSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@H](C(=O)Nc1ccccn1)N1[C@H](C)CC[C@H]1C ZINC000249733237 176200384 /nfs/dbraw/zinc/20/03/84/176200384.db2.gz CEAIUNDQDCLVFQ-IJLUTSLNSA-N 0 1 247.342 2.281 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(Cc3ncccn3)C2)C1 ZINC000336544241 176219249 /nfs/dbraw/zinc/21/92/49/176219249.db2.gz SAEUDWHRLALKLU-TZMCWYRMSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CC[C@H](CN(C)Cc2cccnc2)O1 ZINC000190957458 176223856 /nfs/dbraw/zinc/22/38/56/176223856.db2.gz XTQSOFATEULDSI-DGCLKSJQSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C)[C@H](C)C1 ZINC000114076558 176232134 /nfs/dbraw/zinc/23/21/34/176232134.db2.gz WKCKTEDXVMDITG-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H](C)N1 ZINC000070075716 176245292 /nfs/dbraw/zinc/24/52/92/176245292.db2.gz WUIPBWBBXLLXDW-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CN(C(=O)c2c(O)cccc2F)[C@@H]1C ZINC000294056825 176259725 /nfs/dbraw/zinc/25/97/25/176259725.db2.gz KUOZWAOKUSKVCF-HTQZYQBOSA-N 0 1 223.247 2.012 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccc(F)cc2O)C[C@H]1C ZINC000228311469 176261424 /nfs/dbraw/zinc/26/14/24/176261424.db2.gz ZDVIYDZWWYZSJL-RKDXNWHRSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000273018109 176264095 /nfs/dbraw/zinc/26/40/95/176264095.db2.gz CBMWKMWNTNLCRZ-CKYFFXLPSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(F)(F)F ZINC000336739134 176282205 /nfs/dbraw/zinc/28/22/05/176282205.db2.gz KXBCOXNWVNKHAD-MRTMQBJTSA-N 0 1 236.281 2.010 20 0 BEADMN C[C@@H]1CN(CCCOCc2ccccc2)CCO1 ZINC000182160335 176290002 /nfs/dbraw/zinc/29/00/02/176290002.db2.gz ICGQCZVLBKFRPW-CQSZACIVSA-N 0 1 249.354 2.314 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2F)[C@@H]1C ZINC000293202016 176300534 /nfs/dbraw/zinc/30/05/34/176300534.db2.gz XSDLBMRGACJDTI-BREBYQMCSA-N 0 1 223.291 2.199 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@@H](C)N1C ZINC000354436912 176303129 /nfs/dbraw/zinc/30/31/29/176303129.db2.gz DILDFLDDLHXXCQ-NXEZZACHSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CO ZINC000191732962 176304968 /nfs/dbraw/zinc/30/49/68/176304968.db2.gz PJODYSDSEUVIOT-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2OCO3)CCCO1 ZINC000179396012 176306199 /nfs/dbraw/zinc/30/61/99/176306199.db2.gz SZZJXYOVAORGFY-LLVKDONJSA-N 0 1 249.310 2.026 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000179869535 176306382 /nfs/dbraw/zinc/30/63/82/176306382.db2.gz CWHVNNTZYPYKQV-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2F)CCCO1 ZINC000170764888 176307291 /nfs/dbraw/zinc/30/72/91/176307291.db2.gz AFKSQMCGPUZDBE-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000336404337 176359729 /nfs/dbraw/zinc/35/97/29/176359729.db2.gz ZOSYUYZXXSIBGB-GHMZBOCLSA-N 0 1 249.358 2.192 20 0 BEADMN C[C@@H]1C[C@@H]1CNc1ccc2nn[nH]c2c1 ZINC000328669191 176397413 /nfs/dbraw/zinc/39/74/13/176397413.db2.gz LVZBREXKFDCKFQ-HTQZYQBOSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@@H]1C[C@@H]1CNc1ccc2n[nH]nc2c1 ZINC000328669191 176397414 /nfs/dbraw/zinc/39/74/14/176397414.db2.gz LVZBREXKFDCKFQ-HTQZYQBOSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)[O-] ZINC000062015110 177032810 /nfs/dbraw/zinc/03/28/10/177032810.db2.gz DRWAXEZPBBXKJI-MRVPVSSYSA-N 0 1 227.691 2.417 20 0 BEADMN C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CC(N)=O ZINC000299586309 177033172 /nfs/dbraw/zinc/03/31/72/177033172.db2.gz DZCBKTAFBUBPHA-LLVKDONJSA-N 0 1 248.370 2.462 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](CO)C1 ZINC000174708103 177033977 /nfs/dbraw/zinc/03/39/77/177033977.db2.gz VESDZFYGAHZNEH-ZJUUUORDSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](O)C1 ZINC000152002815 177034214 /nfs/dbraw/zinc/03/42/14/177034214.db2.gz QZCQNGKVIPFLFI-SCZZXKLOSA-N 0 1 227.254 2.092 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000083413568 177040200 /nfs/dbraw/zinc/04/02/00/177040200.db2.gz VOGHOOZJYBZQLU-PWSUYJOCSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@H](c1ccco1)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000048943729 177046346 /nfs/dbraw/zinc/04/63/46/177046346.db2.gz TYCGMYFEVGAXBH-SECBINFHSA-N 0 1 245.282 2.369 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000123005918 177048043 /nfs/dbraw/zinc/04/80/43/177048043.db2.gz CMHPLRVWJPEHLM-MNOVXSKESA-N 0 1 209.289 2.451 20 0 BEADMN C[C@H](c1cnccn1)N1CCCOC(C)(C)C1 ZINC000373344301 177051732 /nfs/dbraw/zinc/05/17/32/177051732.db2.gz HZRNWCWMLVZXJP-LLVKDONJSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1CCCC[C@H](C)C1 ZINC000361773078 177071244 /nfs/dbraw/zinc/07/12/44/177071244.db2.gz ZRTNLZPQCUQBIY-WDEREUQCSA-N 0 1 249.362 2.191 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000074732427 177095521 /nfs/dbraw/zinc/09/55/21/177095521.db2.gz IFICXZFCXVXYBD-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCCCF)[C@H]1C(=O)[O-] ZINC000336668108 177098410 /nfs/dbraw/zinc/09/84/10/177098410.db2.gz QFMRURKFLAEWNK-WDEREUQCSA-N 0 1 231.311 2.311 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cn2cccnc2n1 ZINC000172862377 177102473 /nfs/dbraw/zinc/10/24/73/177102473.db2.gz QUWRYJNPKPEBIN-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H]1CCCN1Cc1ccc([S@](C)=O)cc1 ZINC000353592158 177110074 /nfs/dbraw/zinc/11/00/74/177110074.db2.gz PYOGYIGPHXYUMB-ZBEGNZNMSA-N 0 1 237.368 2.408 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000037911329 177110992 /nfs/dbraw/zinc/11/09/92/177110992.db2.gz VHOGMUIBRBSNPD-JTQLQIEISA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H]1C ZINC000339584180 177114669 /nfs/dbraw/zinc/11/46/69/177114669.db2.gz YWKAKEOMJGWEPG-FVCCEPFGSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000337695531 177130530 /nfs/dbraw/zinc/13/05/30/177130530.db2.gz SEAZQKYESQMEQR-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1nccn1C ZINC000066531885 177132542 /nfs/dbraw/zinc/13/25/42/177132542.db2.gz AZLTWAQVMTYSHO-QWRGUYRKSA-N 0 1 207.321 2.183 20 0 BEADMN C[C@H]1CCC[C@H](CNc2ccncc2C(N)=O)C1 ZINC000302205880 177133148 /nfs/dbraw/zinc/13/31/48/177133148.db2.gz DIFGWWDCBIWUBE-QWRGUYRKSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@H]1CCN(C(=O)c2c(O)cccc2F)[C@H]1C ZINC000128101212 177153198 /nfs/dbraw/zinc/15/31/98/177153198.db2.gz DYYJRRUGYPSNPI-IUCAKERBSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@H]1CCN(C(=O)c2ccc(F)cc2O)[C@H]1C ZINC000124026980 177153873 /nfs/dbraw/zinc/15/38/73/177153873.db2.gz VOMXUEBWPWDTGM-IUCAKERBSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc2n[nH]cc21 ZINC000267843909 177154872 /nfs/dbraw/zinc/15/48/72/177154872.db2.gz BCDSFRFRSKOSMH-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000263655094 177162183 /nfs/dbraw/zinc/16/21/83/177162183.db2.gz CKUYTXBRRPTZCG-ZANVPECISA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H]1CCN(Cc2cc(F)ccc2F)[C@H]1CO ZINC000248863280 177163137 /nfs/dbraw/zinc/16/31/37/177163137.db2.gz AMGRVHDHYXZUKL-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264850 177163988 /nfs/dbraw/zinc/16/39/88/177163988.db2.gz CKEMTVOJJXZWMU-VIFPVBQESA-N 0 1 237.274 2.366 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)cc2F)[C@H]1CO ZINC000248997335 177164204 /nfs/dbraw/zinc/16/42/04/177164204.db2.gz YCJMFUUUXYEZSD-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000352742828 177164956 /nfs/dbraw/zinc/16/49/56/177164956.db2.gz QSVSZGJWIRVYFZ-ZBEGNZNMSA-N 0 1 237.368 2.266 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263751374 177168076 /nfs/dbraw/zinc/16/80/76/177168076.db2.gz SSJSSBIPFPFBBM-QMMMGPOBSA-N 0 1 249.339 2.239 20 0 BEADMN C[C@H]1CCN(Cc2nccc(N)n2)CC12CCC2 ZINC000271340824 177168659 /nfs/dbraw/zinc/16/86/59/177168659.db2.gz NAPMQYLADPLXCL-NSHDSACASA-N 0 1 246.358 2.071 20 0 BEADMN C[C@H]1CC[C@@H](CN(C)Cc2cccnc2)O1 ZINC000190957505 177189378 /nfs/dbraw/zinc/18/93/78/177189378.db2.gz XTQSOFATEULDSI-AAEUAGOBSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(Cc3ncccn3)C2)C1 ZINC000336544236 177196670 /nfs/dbraw/zinc/19/66/70/177196670.db2.gz SAEUDWHRLALKLU-GXTWGEPZSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1CCCCC1 ZINC000336527764 177214137 /nfs/dbraw/zinc/21/41/37/177214137.db2.gz CJDUERKKOFYTSQ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C(=O)c2c(O)cccc2F)[C@H]1C ZINC000294056832 177225562 /nfs/dbraw/zinc/22/55/62/177225562.db2.gz KUOZWAOKUSKVCF-YUMQZZPRSA-N 0 1 223.247 2.012 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C(C)(C)C ZINC000352825611 177238560 /nfs/dbraw/zinc/23/85/60/177238560.db2.gz STVJRXOPLUSXOM-GRYCIOLGSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@H]1CN(CC2OCCO2)[C@@H]1c1ccccc1 ZINC000272281642 177246050 /nfs/dbraw/zinc/24/60/50/177246050.db2.gz OHPDXGGVPBTIMA-FZMZJTMJSA-N 0 1 233.311 2.052 20 0 BEADMN C[C@H]1CN(CCOC2CCC2)C[C@@H](C2CC2)O1 ZINC000367871355 177253106 /nfs/dbraw/zinc/25/31/06/177253106.db2.gz CQTBFSMWAKCVQH-FZMZJTMJSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CC[C@@H](O)c1ccccc1 ZINC000286042045 177253737 /nfs/dbraw/zinc/25/37/37/177253737.db2.gz QNNVEGRARYVNHE-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(C[C@@H](O)c2ccccc2)CC(C)(C)O1 ZINC000217373031 177258178 /nfs/dbraw/zinc/25/81/78/177258178.db2.gz KCNSMEUQUKYSHU-GXTWGEPZSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN1CC[S@](=O)[C@@H](C)C1 ZINC000346181991 177259065 /nfs/dbraw/zinc/25/90/65/177259065.db2.gz VWVSJQDWABJBFX-IATRGZMQSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2OCO3)CCCO1 ZINC000179396021 177264152 /nfs/dbraw/zinc/26/41/52/177264152.db2.gz SZZJXYOVAORGFY-NSHDSACASA-N 0 1 249.310 2.026 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000126984750 177264970 /nfs/dbraw/zinc/26/49/70/177264970.db2.gz UMRBANCCKKKZAD-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@H]1CN(Cc2ncc(C3CC3)o2)[C@@H](C)CN1C ZINC000334404491 177271139 /nfs/dbraw/zinc/27/11/39/177271139.db2.gz FMZQDSWTBBKMPU-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000177072662 177274324 /nfs/dbraw/zinc/27/43/24/177274324.db2.gz PLONZJZIILXWKY-OBJOEFQTSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccc2o1 ZINC000336382720 177277904 /nfs/dbraw/zinc/27/79/04/177277904.db2.gz KDLUPGLXTBLOBF-WDEREUQCSA-N 0 1 245.326 2.357 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)N2CCNC[C@@H]2C)C1 ZINC000125619207 177282871 /nfs/dbraw/zinc/28/28/71/177282871.db2.gz ARZLPENEUKHXMM-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CNCCN1C(=O)CCC1CCCCC1 ZINC000054369832 177282969 /nfs/dbraw/zinc/28/29/69/177282969.db2.gz DLVIIUCTVZEWFR-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000355018536 177378735 /nfs/dbraw/zinc/37/87/35/177378735.db2.gz XQVPRCQBNJNKOA-WDSKDSINSA-N 0 1 247.220 2.413 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CCC1CCC1 ZINC000175253788 177547969 /nfs/dbraw/zinc/54/79/69/177547969.db2.gz JOCPOTBKEIPUSX-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCn1ncnc1CN1CC[C@H](C(C)(C)C)C1 ZINC000488321326 225370799 /nfs/dbraw/zinc/37/07/99/225370799.db2.gz ZJMHBSXYFLMTAJ-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN COCCN(Cc1ncccn1)[C@@H]1CCC[C@@H]1C ZINC000488088753 225346168 /nfs/dbraw/zinc/34/61/68/225346168.db2.gz ILNLCNMJCMZXQB-QWHCGFSZSA-N 0 1 249.358 2.114 20 0 BEADMN C[C@H]1C[C@@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000488290986 225360972 /nfs/dbraw/zinc/36/09/72/225360972.db2.gz IFZCKKBCGUBBLT-NWDGAFQWSA-N 0 1 232.327 2.213 20 0 BEADMN COc1cccc(CNCc2cc(C)[nH]n2)c1F ZINC000669682495 487646082 /nfs/dbraw/zinc/64/60/82/487646082.db2.gz HUGFGBKRIUZFJQ-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCOc1ccccc1 ZINC000079486902 487649081 /nfs/dbraw/zinc/64/90/81/487649081.db2.gz NMAKFAYKYOWVCU-CQSZACIVSA-N 0 1 249.310 2.005 20 0 BEADMN CCOc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000505636104 226357901 /nfs/dbraw/zinc/35/79/01/226357901.db2.gz QAEOXPSTLJPGOQ-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000079488151 487650935 /nfs/dbraw/zinc/65/09/35/487650935.db2.gz RMRSCRFSHRAUMS-ZDUSSCGKSA-N 0 1 219.284 2.126 20 0 BEADMN CCO[C@H]1CCCN(Cc2cnc(CC)nc2)C1 ZINC000666292580 487662252 /nfs/dbraw/zinc/66/22/52/487662252.db2.gz ULONZQXFKBHKRJ-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc(Cl)s1 ZINC000680898828 487662367 /nfs/dbraw/zinc/66/23/67/487662367.db2.gz MIBDHBWCHMJYPO-JGVFFNPUSA-N 0 1 245.779 2.325 20 0 BEADMN O=C([O-])[C@H]1C[N@@H+](CC2CC2)Cc2ccccc21 ZINC000087612408 487670415 /nfs/dbraw/zinc/67/04/15/487670415.db2.gz LAFKILLKPSHSNB-ZDUSSCGKSA-N 0 1 231.295 2.080 20 0 BEADMN CC(C)(C[N@H+]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000666579407 487673976 /nfs/dbraw/zinc/67/39/76/487673976.db2.gz MQNXWWYJXPLAJF-LBPRGKRZSA-N 0 1 247.338 2.371 20 0 BEADMN COc1ccc(CNCc2cc(C)n[nH]2)c(F)c1 ZINC000675155181 487676065 /nfs/dbraw/zinc/67/60/65/487676065.db2.gz BUECODUZMQBZDW-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN CCC(CC)CC(=O)NCc1cc(C)[nH]n1 ZINC000675226091 487682326 /nfs/dbraw/zinc/68/23/26/487682326.db2.gz VHEGVHMYDMZUTE-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000675225739 487681999 /nfs/dbraw/zinc/68/19/99/487681999.db2.gz JDRCUYVXEOOFJD-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000675225738 487682114 /nfs/dbraw/zinc/68/21/14/487682114.db2.gz JDRCUYVXEOOFJD-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000675239455 487682872 /nfs/dbraw/zinc/68/28/72/487682872.db2.gz MZKAMCAGXXAYRY-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCCN[C@H](C)c1nc(C2CCOCC2)no1 ZINC000087812728 487691020 /nfs/dbraw/zinc/69/10/20/487691020.db2.gz UEWIRTADGWJDPM-SECBINFHSA-N 0 1 239.319 2.024 20 0 BEADMN CC1(C)SC[C@H]1NCc1ccncc1F ZINC000336217706 487691941 /nfs/dbraw/zinc/69/19/41/487691941.db2.gz JLCSZTUITNTKAK-SNVBAGLBSA-N 0 1 226.320 2.204 20 0 BEADMN CC(C)[C@H]1CCN1Cc1ccncc1F ZINC000336225865 487692436 /nfs/dbraw/zinc/69/24/36/487692436.db2.gz JZSNRBHDNKAPOA-GFCCVEGCSA-N 0 1 208.280 2.451 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)[C@H]2C)n1C ZINC000667649945 487695478 /nfs/dbraw/zinc/69/54/78/487695478.db2.gz HIUMLZZORQCSRB-ZJUUUORDSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1cc(C)c(CN[C@H](C)c2ccnn2C)cn1 ZINC000397048337 262832332 /nfs/dbraw/zinc/83/23/32/262832332.db2.gz QBLVTJUNASXERE-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](CCO)CCNCc1ncc(Cl)s1 ZINC000397806954 262935008 /nfs/dbraw/zinc/93/50/08/262935008.db2.gz YAMZTXNVPRJAGA-QMMMGPOBSA-N 0 1 248.779 2.295 20 0 BEADMN CCC[C@H](NCc1ncn(C)n1)[C@H]1CC1(C)C ZINC000397603123 262927449 /nfs/dbraw/zinc/92/74/49/262927449.db2.gz GOAJFGMCPSUJJE-MNOVXSKESA-N 0 1 236.363 2.120 20 0 BEADMN O=C1[C@H](N2CC=CCC2)CCN1C1CCCCC1 ZINC000528442085 262948268 /nfs/dbraw/zinc/94/82/68/262948268.db2.gz XFZLNLVWYKKGJW-CQSZACIVSA-N 0 1 248.370 2.182 20 0 BEADMN CC/C=C/CCN1CC[N@H+](CC)[C@@H](C)C1 ZINC000681023951 487699687 /nfs/dbraw/zinc/69/96/87/487699687.db2.gz BLRPJBKHOZTWLR-YBJDMEARSA-N 0 1 210.365 2.369 20 0 BEADMN C[C@@H](c1cnccn1)N1CC[C@@H](C(F)F)C1 ZINC000681025515 487701595 /nfs/dbraw/zinc/70/15/95/487701595.db2.gz ZUHIMHVRSLDTDG-DTWKUNHWSA-N 0 1 227.258 2.125 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000044987298 487704281 /nfs/dbraw/zinc/70/42/81/487704281.db2.gz IUARHXJTBCIERL-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1C ZINC000097850433 487705095 /nfs/dbraw/zinc/70/50/95/487705095.db2.gz UPTAJJKRAZBLJN-GFCCVEGCSA-N 0 1 239.290 2.429 20 0 BEADMN CC/C=C\CCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000671718160 487705608 /nfs/dbraw/zinc/70/56/08/487705608.db2.gz COASTXCSTYFCGF-TYHIMRJMSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cc(CNC(=O)c2csc(C)c2)n[nH]1 ZINC000671724547 487707980 /nfs/dbraw/zinc/70/79/80/487707980.db2.gz NUTAXIYLHLYMBH-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN C[C@@H](C(=O)NCCC1=CCCCCC1)N(C)C ZINC000681085477 487717052 /nfs/dbraw/zinc/71/70/52/487717052.db2.gz VKVHPKJYRYMUGT-LBPRGKRZSA-N 0 1 238.375 2.333 20 0 BEADMN CCN(Cc1nccs1)C[C@@H]1CCOC1 ZINC000676714626 487724129 /nfs/dbraw/zinc/72/41/29/487724129.db2.gz NMYFHILUCRYEIE-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001172616261 974888866 /nfs/dbraw/zinc/88/88/66/974888866.db2.gz KOSFUCNBCRFELF-GRYCIOLGSA-N 0 1 243.322 2.152 20 0 BEADMN COc1cc(F)cc(CN(C)Cc2cnc[nH]2)c1 ZINC000668422010 487727412 /nfs/dbraw/zinc/72/74/12/487727412.db2.gz NEHPKJZJJTYERR-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN CCN(CCSC)Cc1ccc(F)cn1 ZINC000830999540 584908845 /nfs/dbraw/zinc/90/88/45/584908845.db2.gz OOPGIWLHGMSDHJ-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1c[nH]nc1C(C)(C)C ZINC000668423396 487729023 /nfs/dbraw/zinc/72/90/23/487729023.db2.gz XFSMBZRTBYYNTJ-UHFFFAOYSA-N 0 1 247.346 2.062 20 0 BEADMN Fc1ccccc1CCN1CCc2c[nH]nc2C1 ZINC000681111028 487729637 /nfs/dbraw/zinc/72/96/37/487729637.db2.gz FIWPFHHNOWJQKJ-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CCC2CC2)Cc2ccccc21 ZINC000088491631 487729821 /nfs/dbraw/zinc/72/98/21/487729821.db2.gz QMUDLVJOPLYQQA-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cccc(F)c1F ZINC000674912384 487732392 /nfs/dbraw/zinc/73/23/92/487732392.db2.gz ABGYWGLRMUBPGI-BXKDBHETSA-N 0 1 240.297 2.005 20 0 BEADMN CCC(CC)(CC)C(=O)Nc1nnc(C)[nH]1 ZINC000675452128 487733980 /nfs/dbraw/zinc/73/39/80/487733980.db2.gz CQLVEOCYRMLERS-UHFFFAOYSA-N 0 1 224.308 2.268 20 0 BEADMN COc1cccc2c1CC[C@@H]2NCc1cn[nH]c1 ZINC000675348243 487738570 /nfs/dbraw/zinc/73/85/70/487738570.db2.gz CQAQSKYBPXWUKW-ZDUSSCGKSA-N 0 1 243.310 2.195 20 0 BEADMN CC/C=C\CCN1CCO[C@H](COC(C)C)C1 ZINC000681169345 487742013 /nfs/dbraw/zinc/74/20/13/487742013.db2.gz BIXIJOLDLZZZTJ-GXMNPTEKSA-N 0 1 241.375 2.469 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)CC(C)C)C[C@@H]1C ZINC000680931944 487747379 /nfs/dbraw/zinc/74/73/79/487747379.db2.gz CBIROQHYRDLSJU-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3ccccn3)C2)c1 ZINC000290033997 487749682 /nfs/dbraw/zinc/74/96/82/487749682.db2.gz WAEHCGHTWWCDCB-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN CCC(C)(CC)NC(=O)NCc1cc(C)[nH]n1 ZINC000675625778 487754998 /nfs/dbraw/zinc/75/49/98/487754998.db2.gz OYQRAMYAFKWAOZ-UHFFFAOYSA-N 0 1 238.335 2.096 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000681242645 487758031 /nfs/dbraw/zinc/75/80/31/487758031.db2.gz BSCXUONESDHASV-NWDGAFQWSA-N 0 1 247.342 2.378 20 0 BEADMN CCC(=O)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000753750065 585268249 /nfs/dbraw/zinc/26/82/49/585268249.db2.gz WEZHNIVPASVBKK-KOLCDFICSA-N 0 1 201.285 2.036 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000675720279 487769777 /nfs/dbraw/zinc/76/97/77/487769777.db2.gz VEIDQNNVDURBPI-WHFBIAKZSA-N 0 1 233.193 2.023 20 0 BEADMN c1c(CN2CCC[C@@H](C3CC3)C2)nn2c1CCC2 ZINC000649612515 487769933 /nfs/dbraw/zinc/76/99/33/487769933.db2.gz HHIOKMNORPJCEW-CYBMUJFWSA-N 0 1 245.370 2.451 20 0 BEADMN C[C@]1(C2CC2)CN(Cc2ccc(O)cc2)CCO1 ZINC000668464032 487788020 /nfs/dbraw/zinc/78/80/20/487788020.db2.gz OQYUCONATPVVLO-OAHLLOKOSA-N 0 1 247.338 2.393 20 0 BEADMN C[C@@]1(C2CC2)CN(Cc2ccc(O)cc2)CCO1 ZINC000668464031 487788322 /nfs/dbraw/zinc/78/83/22/487788322.db2.gz OQYUCONATPVVLO-HNNXBMFYSA-N 0 1 247.338 2.393 20 0 BEADMN CCC[C@H](O)CN1CCn2cccc2[C@@H]1C ZINC000296670755 487791746 /nfs/dbraw/zinc/79/17/46/487791746.db2.gz ZJJKSYUZVCHGNR-RYUDHWBXSA-N 0 1 222.332 2.026 20 0 BEADMN CCC(C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000681001948 487796478 /nfs/dbraw/zinc/79/64/78/487796478.db2.gz WPUVPEVWFDNJPM-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(CC)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000681001999 487796684 /nfs/dbraw/zinc/79/66/84/487796684.db2.gz ZGBIFJRFWHOFFJ-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1ccc(CN2CC(CCOC)C2)o1 ZINC000668472929 487797774 /nfs/dbraw/zinc/79/77/74/487797774.db2.gz JWJGLKZYEJXWBH-UHFFFAOYSA-N 0 1 223.316 2.310 20 0 BEADMN CCc1noc(CN2CC[C@H](C)[C@H]2CC)n1 ZINC000681470454 487800566 /nfs/dbraw/zinc/80/05/66/487800566.db2.gz UMPAEFZOAPESBN-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN C[C@@H](NCC(C)(C)OCC1CC1)c1ncc[nH]1 ZINC000414279024 487801595 /nfs/dbraw/zinc/80/15/95/487801595.db2.gz ZKXHGKHSSXCEHW-SNVBAGLBSA-N 0 1 237.347 2.266 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)CCO)cs1 ZINC000779339599 585751653 /nfs/dbraw/zinc/75/16/53/585751653.db2.gz CZWXKESRLFBLEH-IUCAKERBSA-N 0 1 228.361 2.127 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1csnn1 ZINC000414298419 487803267 /nfs/dbraw/zinc/80/32/67/487803267.db2.gz IJXSWUQRQSCXEB-SFGNSQDASA-N 0 1 223.345 2.377 20 0 BEADMN CCc1ccc(C)nc1NCc1csnn1 ZINC000668477938 487804652 /nfs/dbraw/zinc/80/46/52/487804652.db2.gz JBAWHXGZMLFPDB-UHFFFAOYSA-N 0 1 234.328 2.416 20 0 BEADMN COc1ccnc(CN[C@H]2CCCC2(C)C)n1 ZINC000450813558 487807292 /nfs/dbraw/zinc/80/72/92/487807292.db2.gz WGZDANAUAHRMFT-JTQLQIEISA-N 0 1 235.331 2.154 20 0 BEADMN COCc1ccc(CN2CCCOC[C@H]2C)o1 ZINC000678275113 487814269 /nfs/dbraw/zinc/81/42/69/487814269.db2.gz UHGYUWXKJSRUOC-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191659 487819006 /nfs/dbraw/zinc/81/90/06/487819006.db2.gz WXZYIYNCMXONCG-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c(C)c1 ZINC000668045063 487819516 /nfs/dbraw/zinc/81/95/16/487819516.db2.gz GMUYCYDTUFWFMZ-JSGCOSHPSA-N 0 1 249.354 2.349 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C(C)(C)C1 ZINC000380399807 487822447 /nfs/dbraw/zinc/82/24/47/487822447.db2.gz NSBSVGAXXSEGKP-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H](C)OC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785736013 585879234 /nfs/dbraw/zinc/87/92/34/585879234.db2.gz OXDFUTMJVZHUKF-OUAUKWLOSA-N 0 1 213.321 2.201 20 0 BEADMN CC[C@H](C)OC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785736008 585879370 /nfs/dbraw/zinc/87/93/70/585879370.db2.gz OXDFUTMJVZHUKF-DCAQKATOSA-N 0 1 213.321 2.201 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCC[C@H]2O)c(C)s1 ZINC000252729440 487831158 /nfs/dbraw/zinc/83/11/58/487831158.db2.gz GSOTYEKEWYQWEK-WHGOUJPWSA-N 0 1 240.372 2.324 20 0 BEADMN C[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC000076114180 487832720 /nfs/dbraw/zinc/83/27/20/487832720.db2.gz LGNHNAQIAMHCCG-AOOOYVTPSA-N 0 1 247.298 2.417 20 0 BEADMN Cc1ncc([C@H](C)N(C)C[C@H]2CCCO2)c(C)n1 ZINC000681659144 487832893 /nfs/dbraw/zinc/83/28/93/487832893.db2.gz VGPQPDHBMDTQAD-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)C[C@H](C)N1CCO[C@@H](C(F)F)C1 ZINC000829506844 587500718 /nfs/dbraw/zinc/50/07/18/587500718.db2.gz YTPKATVVDQXTBT-VHSXEESVSA-N 0 1 221.291 2.387 20 0 BEADMN C[N@H+]1CCN(C/C(Cl)=C/Cl)CC1(C)C ZINC000846888944 588295507 /nfs/dbraw/zinc/29/55/07/588295507.db2.gz MEDBPHBZZZXJIG-TWGQIWQCSA-N 0 1 237.174 2.331 20 0 BEADMN CN1CCN(C/C(Cl)=C/Cl)CC1(C)C ZINC000846888944 588295508 /nfs/dbraw/zinc/29/55/08/588295508.db2.gz MEDBPHBZZZXJIG-TWGQIWQCSA-N 0 1 237.174 2.331 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CCOC(F)F ZINC000851998110 588653512 /nfs/dbraw/zinc/65/35/12/588653512.db2.gz PVJSBUNXROVOBK-RNFRBKRXSA-N 0 1 247.207 2.498 20 0 BEADMN Cc1cncc(CCN[C@H](C)c2nccs2)n1 ZINC000402745715 487849144 /nfs/dbraw/zinc/84/91/44/487849144.db2.gz VTBIEKMTSIXPAY-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN FCCCN1CCN(Cc2ccsc2)CC1 ZINC000533817700 322956007 /nfs/dbraw/zinc/95/60/07/322956007.db2.gz TULVPMXDEGDWDQ-UHFFFAOYSA-N 0 1 242.363 2.225 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)[C@H](CC)CO1 ZINC000651912689 487861229 /nfs/dbraw/zinc/86/12/29/487861229.db2.gz BGCIMBQBIRXPFU-ZIAGYGMSSA-N 0 1 236.359 2.415 20 0 BEADMN c1ccc(OCc2nc([C@H]3CCCN3)no2)cc1 ZINC000109409097 487864076 /nfs/dbraw/zinc/86/40/76/487864076.db2.gz SBRQFSJXHHNWMM-LLVKDONJSA-N 0 1 245.282 2.073 20 0 BEADMN CC(C)(C)CCCN1CC[C@@H](O)[C@@H](F)C1 ZINC000934571856 641205476 /nfs/dbraw/zinc/20/54/76/641205476.db2.gz GWJQLXZJRQATOU-WDEREUQCSA-N 0 1 217.328 2.217 20 0 BEADMN CSCC(C)(C)NCc1nccs1 ZINC000934671192 641241640 /nfs/dbraw/zinc/24/16/40/641241640.db2.gz ZJRBZBUKQYDGQJ-UHFFFAOYSA-N 0 1 216.375 2.374 20 0 BEADMN COCC1(C2CCC2)CN(Cc2ccccn2)C1 ZINC000668511690 487870152 /nfs/dbraw/zinc/87/01/52/487870152.db2.gz GTDOGPADIIFRQV-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CC(C)C1CN(Cc2cnc3ccccn23)C1 ZINC000684408318 487871358 /nfs/dbraw/zinc/87/13/58/487871358.db2.gz HUAGDAUXOOUKLE-UHFFFAOYSA-N 0 1 229.327 2.422 20 0 BEADMN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cc1O ZINC000403641769 487872746 /nfs/dbraw/zinc/87/27/46/487872746.db2.gz PIRXSDJQONMJCP-ATZCPNFKSA-N 0 1 249.285 2.450 20 0 BEADMN COC(=O)C[C@@H]1CC[C@@H](NCC(C)(F)F)[C@H]1C ZINC000559322226 322962829 /nfs/dbraw/zinc/96/28/29/322962829.db2.gz HHJPVHZHXWIFTP-LPEHRKFASA-N 0 1 249.301 2.209 20 0 BEADMN COC(=O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000595702752 487876489 /nfs/dbraw/zinc/87/64/89/487876489.db2.gz JUOCXWMHUKKESU-LBPRGKRZSA-N 0 1 237.274 2.136 20 0 BEADMN CC(C)N1CCN(C[C@@H](C)C(C)(C)C)CC1=O ZINC000670268823 487879438 /nfs/dbraw/zinc/87/94/38/487879438.db2.gz YVOLSDGGHHMTAR-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CSCCNCc1ccnc(Cl)c1F ZINC000823591305 645046035 /nfs/dbraw/zinc/04/60/35/645046035.db2.gz OHCVXXWHEKWFSP-UHFFFAOYSA-N 0 1 234.727 2.327 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(C)c(O)c1 ZINC000676643519 487886372 /nfs/dbraw/zinc/88/63/72/487886372.db2.gz MEXYFCUMFJWODB-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN Cc1noc([C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000247996951 487890025 /nfs/dbraw/zinc/89/00/25/487890025.db2.gz DIPACAQMJOVBTJ-BDAKNGLRSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@H]1COCCCN1Cc1ccc(F)cc1 ZINC000676713350 487900630 /nfs/dbraw/zinc/90/06/30/487900630.db2.gz GPNCSGFTQXUCLT-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN CCc1nc(NCC2(C(=O)[O-])CCC2)cc(C)[nH+]1 ZINC000310697800 487900773 /nfs/dbraw/zinc/90/07/73/487900773.db2.gz WDYHWGNTWMURAQ-UHFFFAOYSA-N 0 1 249.314 2.014 20 0 BEADMN CCC[C@@H](O)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000676745070 487914177 /nfs/dbraw/zinc/91/41/77/487914177.db2.gz UEQLGRDUJRLZBL-SNVBAGLBSA-N 0 1 247.298 2.053 20 0 BEADMN Cc1ccoc1CNCc1ccc(CO)cc1 ZINC000227463282 487914546 /nfs/dbraw/zinc/91/45/46/487914546.db2.gz AXLLVMWTCZMWFJ-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN C[C@H](NCc1ccc(CO)cc1)c1cncs1 ZINC000227462098 487915149 /nfs/dbraw/zinc/91/51/49/487915149.db2.gz LCYMRHAFIMKMOO-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN CC(F)(F)CCNCc1cn(C(C)(C)C)nn1 ZINC000357706238 487917482 /nfs/dbraw/zinc/91/74/82/487917482.db2.gz HWWZZSWWJYTIRR-UHFFFAOYSA-N 0 1 246.305 2.168 20 0 BEADMN FC(F)O[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000682163898 487920380 /nfs/dbraw/zinc/92/03/80/487920380.db2.gz FRLCZTXPSIDVDT-MNOVXSKESA-N 0 1 249.301 2.117 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@H]1F ZINC000682163576 487920315 /nfs/dbraw/zinc/92/03/15/487920315.db2.gz AVHJCECWZCJEQV-IJLUTSLNSA-N 0 1 215.312 2.093 20 0 BEADMN CCO[C@@H]1CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000083679503 487928007 /nfs/dbraw/zinc/92/80/07/487928007.db2.gz SQTOUVZYCABZCO-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CCCC(C)(C)NC(=O)c1ccc(CN)o1 ZINC000158049514 487936553 /nfs/dbraw/zinc/93/65/53/487936553.db2.gz MZNZUAQFKLEVRY-UHFFFAOYSA-N 0 1 224.304 2.047 20 0 BEADMN CCc1nc(NC(=O)c2c(C)cccc2C)n[nH]1 ZINC000182280806 487936954 /nfs/dbraw/zinc/93/69/54/487936954.db2.gz MPPSSMHVFBUAJB-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2c(C)cccc2C)n1 ZINC000182280806 487936960 /nfs/dbraw/zinc/93/69/60/487936960.db2.gz MPPSSMHVFBUAJB-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC=CCC1 ZINC000652392814 487943184 /nfs/dbraw/zinc/94/31/84/487943184.db2.gz BNNNUXQRUBMXIU-JTQLQIEISA-N 0 1 223.297 2.136 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@@H+]1CC=CCC1 ZINC000652392814 487943186 /nfs/dbraw/zinc/94/31/86/487943186.db2.gz BNNNUXQRUBMXIU-JTQLQIEISA-N 0 1 223.297 2.136 20 0 BEADMN C/C=C(\CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000365127345 487944100 /nfs/dbraw/zinc/94/41/00/487944100.db2.gz UITUSLBDZAUIFO-QDEBKDIKSA-N 0 1 247.342 2.472 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC000652399887 487945811 /nfs/dbraw/zinc/94/58/11/487945811.db2.gz LCFPHDDPTJYCIM-SNVBAGLBSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H]1CCCCN1C ZINC000676938488 487947407 /nfs/dbraw/zinc/94/74/07/487947407.db2.gz CSRWUKFTRNLVES-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C ZINC000676938489 487947488 /nfs/dbraw/zinc/94/74/88/487947488.db2.gz CSRWUKFTRNLVES-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)CC1 ZINC000083854826 487948003 /nfs/dbraw/zinc/94/80/03/487948003.db2.gz BVZBFKVGPYCUSV-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN OC[C@H](NCc1ccc(O)cc1)c1ccsc1 ZINC000682406979 487950418 /nfs/dbraw/zinc/95/04/18/487950418.db2.gz VEQGNHHLKSZXLH-ZDUSSCGKSA-N 0 1 249.335 2.277 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666351928 487956281 /nfs/dbraw/zinc/95/62/81/487956281.db2.gz LRSCKOOCCHFFCJ-WDEREUQCSA-N 0 1 249.358 2.162 20 0 BEADMN c1snnc1CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403706173 322992031 /nfs/dbraw/zinc/99/20/31/322992031.db2.gz DRUUFPMIVYQSSL-BBBLOLIVSA-N 0 1 223.345 2.064 20 0 BEADMN CC(C)CCC1CCN(C(=O)CN(C)C)CC1 ZINC000150896072 323002055 /nfs/dbraw/zinc/00/20/55/323002055.db2.gz CTIUGVLKUDYBBZ-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CCCC[C@H](CCC)CNC(=O)CN(C)C ZINC000150894630 323002064 /nfs/dbraw/zinc/00/20/64/323002064.db2.gz RPKKIEVSHAZACR-LBPRGKRZSA-N 0 1 228.380 2.271 20 0 BEADMN CC(C)(C)c1n[nH]cc1CN1CCSCC1 ZINC000126216632 323003078 /nfs/dbraw/zinc/00/30/78/323003078.db2.gz CQTDUTFRDKJRMT-UHFFFAOYSA-N 0 1 239.388 2.256 20 0 BEADMN C[C@]12C[N@H+]([C@@H](C(=O)[O-])C3CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000566573148 323006056 /nfs/dbraw/zinc/00/60/56/323006056.db2.gz QXTXDRYSJQRJID-WPLOAARJSA-N 0 1 249.354 2.218 20 0 BEADMN CC[C@H](C)C[N@H+](C)Cc1ncccc1[O-] ZINC000561943510 323008844 /nfs/dbraw/zinc/00/88/44/323008844.db2.gz TYPYKQNQCFNZIS-JTQLQIEISA-N 0 1 208.305 2.265 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ncccc1[O-] ZINC000561943510 323008845 /nfs/dbraw/zinc/00/88/45/323008845.db2.gz TYPYKQNQCFNZIS-JTQLQIEISA-N 0 1 208.305 2.265 20 0 BEADMN CCCCN(C)[C@H](C)C(=O)OC(C)C ZINC000129871312 323009676 /nfs/dbraw/zinc/00/96/76/323009676.db2.gz IKJMXPAMZLXAAC-SNVBAGLBSA-N 0 1 201.310 2.058 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2ccoc2)c(=O)n1C ZINC000562361398 323017751 /nfs/dbraw/zinc/01/77/51/323017751.db2.gz MHMZICCXWRDEBJ-NSHDSACASA-N 0 1 246.310 2.138 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000562657563 323026764 /nfs/dbraw/zinc/02/67/64/323026764.db2.gz GHYUTOFXLWGZPR-HZMBPMFUSA-N 0 1 249.358 2.238 20 0 BEADMN COCCCCCN1CC(C(F)(F)F)C1 ZINC000562696741 323028121 /nfs/dbraw/zinc/02/81/21/323028121.db2.gz AQFJFTXMLDNGGZ-UHFFFAOYSA-N 0 1 225.254 2.297 20 0 BEADMN CCC[C@@H](CC)NC(=O)CN(CC)C1CC1 ZINC000151805002 323028930 /nfs/dbraw/zinc/02/89/30/323028930.db2.gz VIYALVSOHQJCNS-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)CC1 ZINC000569707245 323037864 /nfs/dbraw/zinc/03/78/64/323037864.db2.gz WRPMAAMQMRJQBJ-RYUDHWBXSA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)[C@H](C)CC(C)C ZINC000570000788 323047139 /nfs/dbraw/zinc/04/71/39/323047139.db2.gz YEBZNCWFLJUJBO-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C)CC=CCC1 ZINC000570460352 323060485 /nfs/dbraw/zinc/06/04/85/323060485.db2.gz SEHBLGVHILZSQL-RISCZKNCSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1nc(CN[C@H]2CS[C@H](C)C2)[nH]c1C ZINC000570739614 323069179 /nfs/dbraw/zinc/06/91/79/323069179.db2.gz CWFOCZZFUCVJLV-GMSGAONNSA-N 0 1 225.361 2.010 20 0 BEADMN Cc1occc1CNCc1cnc2n1CCCC2 ZINC000570808839 323071147 /nfs/dbraw/zinc/07/11/47/323071147.db2.gz NKMUABURHGQYOQ-UHFFFAOYSA-N 0 1 245.326 2.411 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccnc1 ZINC000570808096 323071360 /nfs/dbraw/zinc/07/13/60/323071360.db2.gz BPFIADGTJGWDIC-PWSUYJOCSA-N 0 1 236.315 2.185 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000160604193 323073435 /nfs/dbraw/zinc/07/34/35/323073435.db2.gz KARLGAZTSMXPHB-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN CC1(C)C[C@@H](NCc2noc3ccccc32)CO1 ZINC000570942485 323076144 /nfs/dbraw/zinc/07/61/44/323076144.db2.gz RJAXLGORBACPIP-SNVBAGLBSA-N 0 1 246.310 2.485 20 0 BEADMN CCc1nc(CN(C)C2CCOCC2)cs1 ZINC000531343284 323087678 /nfs/dbraw/zinc/08/76/78/323087678.db2.gz UIYLTUAMDAALLB-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CCc1nc(NC(=O)C=CC2CCCCC2)n[nH]1 ZINC000182260538 323089379 /nfs/dbraw/zinc/08/93/79/323089379.db2.gz CGXXAALCUBJQIW-CMDGGOBGSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)/C=C/C2CCCCC2)n1 ZINC000182260538 323089380 /nfs/dbraw/zinc/08/93/80/323089380.db2.gz CGXXAALCUBJQIW-CMDGGOBGSA-N 0 1 248.330 2.442 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)[C@@H]1C ZINC000393429326 323096357 /nfs/dbraw/zinc/09/63/57/323096357.db2.gz PTTOMEGLLDVEKB-NQMVMOMDSA-N 0 1 227.739 2.208 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CC[C@H](C)CC2)[nH]1 ZINC000563246395 323106637 /nfs/dbraw/zinc/10/66/37/323106637.db2.gz CKRPLGIKWOTGIG-KYZUINATSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC000563246395 323106638 /nfs/dbraw/zinc/10/66/38/323106638.db2.gz CKRPLGIKWOTGIG-KYZUINATSA-N 0 1 236.319 2.132 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000565434098 323107074 /nfs/dbraw/zinc/10/70/74/323107074.db2.gz SVSZOBQJUSYBQL-LOWVWBTDSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1cccc(CCC[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000563277952 323107561 /nfs/dbraw/zinc/10/75/61/323107561.db2.gz QNKJCXAUXJRWQZ-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000563279814 323107942 /nfs/dbraw/zinc/10/79/42/323107942.db2.gz ZNLQJOXMLKENKZ-LLVKDONJSA-N 0 1 209.289 2.036 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1=CCCCC1 ZINC000563289224 323108731 /nfs/dbraw/zinc/10/87/31/323108731.db2.gz QDCSGHOWNRHQJB-PWSUYJOCSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000563290535 323108873 /nfs/dbraw/zinc/10/88/73/323108873.db2.gz WACWSWMWPZEWON-OAHLLOKOSA-N 0 1 247.338 2.371 20 0 BEADMN CC(C)CN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC000563372090 323121820 /nfs/dbraw/zinc/12/18/20/323121820.db2.gz UVTIKYLRNJWAJB-LLVKDONJSA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)CN1CCC(C)(C)C1 ZINC000563383652 323122115 /nfs/dbraw/zinc/12/21/15/323122115.db2.gz CKIYANBUGRDRQZ-LBPRGKRZSA-N 0 1 240.391 2.127 20 0 BEADMN COCC1(NCc2cnc(C3CC3)s2)CC1 ZINC000309968726 323122626 /nfs/dbraw/zinc/12/26/26/323122626.db2.gz ONTYUQXDKNTKGA-UHFFFAOYSA-N 0 1 238.356 2.289 20 0 BEADMN Cc1nc(C[N@H+](C)[C@H](C)CC(=O)[O-])sc1C ZINC000563455084 323127098 /nfs/dbraw/zinc/12/70/98/323127098.db2.gz ZNMZHIWAOTVKMO-SSDOTTSWSA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@@H](C)NCc1n[nH]cc1Br ZINC000307998784 323127706 /nfs/dbraw/zinc/12/77/06/323127706.db2.gz XYYDQLIRFPXPHN-ZCFIWIBFSA-N 0 1 232.125 2.060 20 0 BEADMN CSC[C@H]1CCCN1Cc1snnc1C ZINC000571266451 323139680 /nfs/dbraw/zinc/13/96/80/323139680.db2.gz NNNLNPRVVIYRRP-SECBINFHSA-N 0 1 243.401 2.174 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000571281090 323139999 /nfs/dbraw/zinc/13/99/99/323139999.db2.gz CHYXHAAWEDIRAI-TUAOUCFPSA-N 0 1 236.315 2.155 20 0 BEADMN CC1(C)C[C@@H]1N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000571412574 323144151 /nfs/dbraw/zinc/14/41/51/323144151.db2.gz BVMSZFXLQAFGBB-NWDGAFQWSA-N 0 1 242.326 2.282 20 0 BEADMN FC(F)(F)C1CN(CC[C@H]2CCCCO2)C1 ZINC000571630850 323150011 /nfs/dbraw/zinc/15/00/11/323150011.db2.gz XEEFYKZOWXITBT-SNVBAGLBSA-N 0 1 237.265 2.440 20 0 BEADMN CC1CCN(CC(=O)NC(C)(C)C2CC2)CC1 ZINC000535030178 323163558 /nfs/dbraw/zinc/16/35/58/323163558.db2.gz MKFHIAFOGJTRQU-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN c1ccc(CCN2CCOC[C@@H]2C2CCC2)nc1 ZINC000563709442 323174757 /nfs/dbraw/zinc/17/47/57/323174757.db2.gz WVVYRXNEYYEJBM-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1nccnc1[C@H](C)NCCOC(C)(C)C ZINC000308701016 323177133 /nfs/dbraw/zinc/17/71/33/323177133.db2.gz YHHWBTXSXFCMJY-NSHDSACASA-N 0 1 237.347 2.251 20 0 BEADMN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ncn(C)n2)C1 ZINC000391955923 323183601 /nfs/dbraw/zinc/18/36/01/323183601.db2.gz WJSPQOZISWSFNV-TUAOUCFPSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000391958462 323183703 /nfs/dbraw/zinc/18/37/03/323183703.db2.gz XNDLOHOMEIHQNI-IJLUTSLNSA-N 0 1 236.363 2.292 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000216517538 323183718 /nfs/dbraw/zinc/18/37/18/323183718.db2.gz LDOHOIISFDXMQQ-AEJSXWLSSA-N 0 1 231.361 2.066 20 0 BEADMN CCN(Cc1c(C)noc1C)C[C@@H]1CCCO1 ZINC000051555209 323189668 /nfs/dbraw/zinc/18/96/68/323189668.db2.gz BEQNDYVYNXVBEP-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054298206 323204139 /nfs/dbraw/zinc/20/41/39/323204139.db2.gz XFTFVKGJLGAZDB-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN CCCC1(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000532374529 323256280 /nfs/dbraw/zinc/25/62/80/323256280.db2.gz JLOYAJAJYLEZOA-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC000532475597 323269768 /nfs/dbraw/zinc/26/97/68/323269768.db2.gz NLUUAJIXACCUGQ-RFHZTLPTSA-N 0 1 248.370 2.443 20 0 BEADMN C[C@@H](CNCc1ccc(CO)o1)C(F)(F)F ZINC000309416460 323395481 /nfs/dbraw/zinc/39/54/81/323395481.db2.gz YUAJOPHCWCOGFB-ZETCQYMHSA-N 0 1 237.221 2.060 20 0 BEADMN COC[C@H](CC(C)C)NCc1cc(C)on1 ZINC000309471380 323416320 /nfs/dbraw/zinc/41/63/20/323416320.db2.gz QTCDMERMEFDYCC-LBPRGKRZSA-N 0 1 226.320 2.134 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CCCSC2)n1 ZINC000161270290 323480478 /nfs/dbraw/zinc/48/04/78/323480478.db2.gz VALCZECFHGPPIX-GFCCVEGCSA-N 0 1 239.388 2.449 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)[C@H]1CC12CC2 ZINC000527906597 323716050 /nfs/dbraw/zinc/71/60/50/323716050.db2.gz ZKYQLLCMCUMSJK-DTWKUNHWSA-N 0 1 239.750 2.352 20 0 BEADMN COc1ccc(CCNc2cc(C)ccn2)cn1 ZINC000528186167 323774924 /nfs/dbraw/zinc/77/49/24/323774924.db2.gz IRMMWHPVQLDHPU-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000064021219 324024141 /nfs/dbraw/zinc/02/41/41/324024141.db2.gz GHRFVUMHMNSHOF-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN COC[C@@H](N[C@H]1CCSC1)c1ccc(C)o1 ZINC000122292727 324034256 /nfs/dbraw/zinc/03/42/56/324034256.db2.gz GNMAWHNUOBQOGM-WDEREUQCSA-N 0 1 241.356 2.371 20 0 BEADMN COc1ccccc1CN(C)CCn1cccn1 ZINC000064030915 324068455 /nfs/dbraw/zinc/06/84/55/324068455.db2.gz AQPUKGRFQFWFKF-UHFFFAOYSA-N 0 1 245.326 2.024 20 0 BEADMN O=C(NCCc1ccco1)c1ccc(F)cc1O ZINC000123177259 324093935 /nfs/dbraw/zinc/09/39/35/324093935.db2.gz NUYYOBHSXTXPQT-UHFFFAOYSA-N 0 1 249.241 2.097 20 0 BEADMN CC(=O)N(C)C1CCN(C/C=C(\C)Cl)CC1 ZINC000528364076 324190928 /nfs/dbraw/zinc/19/09/28/324190928.db2.gz GZPFHTKMLVHBDY-ONNFQVAWSA-N 0 1 244.766 2.072 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@@H](CC)C1 ZINC000522082907 324199293 /nfs/dbraw/zinc/19/92/93/324199293.db2.gz SFFALNVMHUTSPL-STQMWFEESA-N 0 1 229.364 2.302 20 0 BEADMN Cc1cccc(CNCc2cc[nH]c2)n1 ZINC000080778201 324215994 /nfs/dbraw/zinc/21/59/94/324215994.db2.gz MGGNHJCDWFFQEU-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN CCCONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529509778 324318743 /nfs/dbraw/zinc/31/87/43/324318743.db2.gz JYOITWFUBSYNHD-SNVBAGLBSA-N 0 1 239.702 2.438 20 0 BEADMN CN(CCO)Cc1ccsc1C(F)(F)F ZINC000529515398 324321749 /nfs/dbraw/zinc/32/17/49/324321749.db2.gz GGURCMNPKGATIK-UHFFFAOYSA-N 0 1 239.262 2.191 20 0 BEADMN CCC[C@H](C(=O)Nc1ncsc1C)N(C)C ZINC000529550343 324338277 /nfs/dbraw/zinc/33/82/77/324338277.db2.gz LRIZZBZGKCETHT-SECBINFHSA-N 0 1 241.360 2.120 20 0 BEADMN Fc1ccc(CNc2ccc3c(n2)CCC3)nc1 ZINC000529594680 324357387 /nfs/dbraw/zinc/35/73/87/324357387.db2.gz FOVLCSOUPGACJA-UHFFFAOYSA-N 0 1 243.285 2.138 20 0 BEADMN C[C@H](N(C)C(=O)c1coc(CN)c1)C(C)(C)C ZINC000564207518 324720848 /nfs/dbraw/zinc/72/08/48/324720848.db2.gz NMPQDDMYFGZIDD-VIFPVBQESA-N 0 1 238.331 2.245 20 0 BEADMN CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCCC(=O)[O-] ZINC000071286366 325066575 /nfs/dbraw/zinc/06/65/75/325066575.db2.gz PRIKVAYLWAEIGR-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@@H]2CCCOC2)o1 ZINC000543505039 325091612 /nfs/dbraw/zinc/09/16/12/325091612.db2.gz NSLZNOSIQIQXJW-WDEREUQCSA-N 0 1 238.331 2.142 20 0 BEADMN CCC1(CC)[C@H](NCc2ncc[nH]2)C[C@H]1OC ZINC000131338400 325137625 /nfs/dbraw/zinc/13/76/25/325137625.db2.gz JTWIRCHOWZPNEC-GHMZBOCLSA-N 0 1 237.347 2.093 20 0 BEADMN CCC[C@@H]1CN(CCCOC(C)C)CCO1 ZINC000131406906 325145884 /nfs/dbraw/zinc/14/58/84/325145884.db2.gz JOEHTBAAWHWJTB-CYBMUJFWSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1nc2ccccc2o1 ZINC000544759518 325157956 /nfs/dbraw/zinc/15/79/56/325157956.db2.gz IWJJYDPQYXGVSK-AWEZNQCLSA-N 0 1 246.310 2.175 20 0 BEADMN Cc1nnc([C@@H](C)NCCCc2ccncc2)o1 ZINC000545194614 325188197 /nfs/dbraw/zinc/18/81/97/325188197.db2.gz SPHBBADAFYVDDO-SNVBAGLBSA-N 0 1 246.314 2.056 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CC12CCCCC2 ZINC000545246750 325201087 /nfs/dbraw/zinc/20/10/87/325201087.db2.gz JBFPYFKVUQREDC-GFCCVEGCSA-N 0 1 247.342 2.305 20 0 BEADMN COCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000545723681 325234224 /nfs/dbraw/zinc/23/42/24/325234224.db2.gz JXIVCPDSGQWRIP-UHFFFAOYSA-N 0 1 244.254 2.068 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075768900 325311582 /nfs/dbraw/zinc/31/15/82/325311582.db2.gz JHMTUEASLKVEPR-QWRGUYRKSA-N 0 1 235.331 2.397 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(C(C)C)CC1 ZINC000075833445 325315998 /nfs/dbraw/zinc/31/59/98/325315998.db2.gz RGUXQGDHIWXOKL-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)C1CC1 ZINC000076940884 325360253 /nfs/dbraw/zinc/36/02/53/325360253.db2.gz DYDYACUCECRLLV-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nnc(=NCCCc2cccs2)[nH]c1C ZINC000547512422 325367035 /nfs/dbraw/zinc/36/70/35/325367035.db2.gz VGYFZRWSCRILHT-UHFFFAOYSA-N 0 1 248.355 2.017 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@@H]1CCc2ccccc2NC1=O ZINC000547769372 325394965 /nfs/dbraw/zinc/39/49/65/325394965.db2.gz LKZASXVBFGXZCB-UHIISALHSA-N 0 1 244.338 2.423 20 0 BEADMN CC(C)N(C(=O)CN1[C@H](C)C[C@H]1C)C(C)C ZINC000547770457 325395376 /nfs/dbraw/zinc/39/53/76/325395376.db2.gz BSLINILKYOCGTF-VXGBXAGGSA-N 0 1 226.364 2.115 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000547770525 325395497 /nfs/dbraw/zinc/39/54/97/325395497.db2.gz MQJHVPSWLWWKJD-DCAQKATOSA-N 0 1 226.364 2.162 20 0 BEADMN C[C@H](C(=O)NCc1ccccc1)N1[C@H](C)C[C@@H]1C ZINC000547770596 325395608 /nfs/dbraw/zinc/39/56/08/325395608.db2.gz VLFKKJNOMSLQQI-FRRDWIJNSA-N 0 1 246.354 2.174 20 0 BEADMN Cc1nnc(COc2cc(C)nc(C)c2)s1 ZINC000548469958 325461739 /nfs/dbraw/zinc/46/17/39/325461739.db2.gz FRPJGTBQHFHSJE-UHFFFAOYSA-N 0 1 235.312 2.437 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(OC)ccc1F ZINC000550213986 325526129 /nfs/dbraw/zinc/52/61/29/325526129.db2.gz WSEOJLKWCFIYJQ-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN C[C@H](Cc1cnccn1)N[C@@H](C)c1cscn1 ZINC000551999935 325582055 /nfs/dbraw/zinc/58/20/55/325582055.db2.gz OUOZSHSUJOQJLH-ZJUUUORDSA-N 0 1 248.355 2.215 20 0 BEADMN CCN(CC(F)F)C(=O)c1ccc(F)cc1O ZINC000184646204 487970052 /nfs/dbraw/zinc/97/00/52/487970052.db2.gz UJQXVXNAMIUZEC-UHFFFAOYSA-N 0 1 247.216 2.259 20 0 BEADMN CC(C)(O)CNCc1cc(-c2ccccc2)on1 ZINC000566108397 325996520 /nfs/dbraw/zinc/99/65/20/325996520.db2.gz ADIPYARELXUCMX-UHFFFAOYSA-N 0 1 246.310 2.202 20 0 BEADMN CC(C)c1cc(C(=O)N2CC(C(C)C)C2)n[nH]1 ZINC000677117948 487971431 /nfs/dbraw/zinc/97/14/31/487971431.db2.gz LGHBVLDYVQJSME-UHFFFAOYSA-N 0 1 235.331 2.261 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1CCCCC(=O)[O-] ZINC000566360016 326036752 /nfs/dbraw/zinc/03/67/52/326036752.db2.gz OPGMABSSJBJUMG-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)[O-] ZINC000566362328 326037579 /nfs/dbraw/zinc/03/75/79/326037579.db2.gz RYEQAAQHGHYQIQ-JTQLQIEISA-N 0 1 246.310 2.463 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC=CCC1 ZINC000566407279 326040477 /nfs/dbraw/zinc/04/04/77/326040477.db2.gz QOYOZQIWEHSKSH-JSGCOSHPSA-N 0 1 244.338 2.220 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CC=CCC1 ZINC000566407281 326040508 /nfs/dbraw/zinc/04/05/08/326040508.db2.gz QOYOZQIWEHSKSH-TZMCWYRMSA-N 0 1 244.338 2.220 20 0 BEADMN Cc1nsc(C)c1CN(C)C1(CO)CCC1 ZINC000566426588 326045133 /nfs/dbraw/zinc/04/51/33/326045133.db2.gz VADOADJXIKRRAE-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000566432735 326046451 /nfs/dbraw/zinc/04/64/51/326046451.db2.gz IFTSMDJXQQCSJU-GRYCIOLGSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000566432740 326046495 /nfs/dbraw/zinc/04/64/95/326046495.db2.gz IFTSMDJXQQCSJU-IJLUTSLNSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@@H](F)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000566510588 326061586 /nfs/dbraw/zinc/06/15/86/326061586.db2.gz VQFBXEUQMDEVNG-SECBINFHSA-N 0 1 229.295 2.206 20 0 BEADMN CC[C@@H]1CN(CCCF)CCN1CC(F)F ZINC000153743710 326111416 /nfs/dbraw/zinc/11/14/16/326111416.db2.gz NNIJCGXXFMDONR-SNVBAGLBSA-N 0 1 238.297 2.007 20 0 BEADMN Cc1cccn2c(CN(C)C3CC3)cnc12 ZINC000153780154 326113181 /nfs/dbraw/zinc/11/31/81/326113181.db2.gz NQJAQFYJGBCUQY-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN CN(Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000153785601 326113333 /nfs/dbraw/zinc/11/33/33/326113333.db2.gz PCHVLTSKYANHIX-UHFFFAOYSA-N 0 1 207.321 2.301 20 0 BEADMN CN(Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000153794879 326113912 /nfs/dbraw/zinc/11/39/12/326113912.db2.gz ZIIGTHMHMJJKEE-HNNXBMFYSA-N 0 1 223.341 2.018 20 0 BEADMN CC(C)CCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153897321 326118554 /nfs/dbraw/zinc/11/85/54/326118554.db2.gz ATEZIYCLHJAAPV-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN COCCCN(CC(=O)OC(C)(C)C)C(C)C ZINC000153956245 326122261 /nfs/dbraw/zinc/12/22/61/326122261.db2.gz RMVTYCJNZDOZNX-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN Cn1c2ccccc2nc1CN1CCCC1 ZINC000154664649 326156503 /nfs/dbraw/zinc/15/65/03/326156503.db2.gz AGOFMUOTOLQUNX-UHFFFAOYSA-N 0 1 215.300 2.169 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000309669770 326164211 /nfs/dbraw/zinc/16/42/11/326164211.db2.gz VOEZSWQOCNQNOO-DTWKUNHWSA-N 0 1 223.320 2.471 20 0 BEADMN Cn1cc(CN2CCC[C@@H]2c2ccc[nH]2)cn1 ZINC000154903926 326172154 /nfs/dbraw/zinc/17/21/54/326172154.db2.gz VVERSQBNGUZZST-CYBMUJFWSA-N 0 1 230.315 2.085 20 0 BEADMN COc1ccc(CN(C)C[C@H](C)OC)c(F)c1 ZINC000567394799 326182661 /nfs/dbraw/zinc/18/26/61/326182661.db2.gz KYKDSBNVBDTNSM-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C1CCCCC1 ZINC000155286859 326191458 /nfs/dbraw/zinc/19/14/58/326191458.db2.gz SLWRVRMHPIBDEG-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CCC1 ZINC000310536611 326194757 /nfs/dbraw/zinc/19/47/57/326194757.db2.gz RIROLPQVWKWPGA-TUAOUCFPSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H](C[N@@H+](CC1CC(F)(F)C1)C1CC1)C(=O)[O-] ZINC000567509414 326206996 /nfs/dbraw/zinc/20/69/96/326206996.db2.gz DVMXICLHQUIJDK-QMMMGPOBSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)CC[C@@H](O)CNCc1nccs1 ZINC000567677082 326244049 /nfs/dbraw/zinc/24/40/49/326244049.db2.gz DZUOWHAILJSTHS-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN CCN1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000157437957 326274957 /nfs/dbraw/zinc/27/49/57/326274957.db2.gz YNUGYVRMRJCRBC-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN Cc1ccc(CNc2ccc3nn[nH]c3c2)o1 ZINC000157578215 326284650 /nfs/dbraw/zinc/28/46/50/326284650.db2.gz HORHAGWGSRQWMH-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1ccc(CNc2ccc3n[nH]nc3c2)o1 ZINC000157578215 326284652 /nfs/dbraw/zinc/28/46/52/326284652.db2.gz HORHAGWGSRQWMH-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN C[N@@H+](CC[C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000568061929 326302443 /nfs/dbraw/zinc/30/24/43/326302443.db2.gz XKOYSADCXUQOHP-ZDUSSCGKSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@H](C)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000568074389 326304260 /nfs/dbraw/zinc/30/42/60/326304260.db2.gz GWZRPCMQTBJUFN-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nsc(C)c1CN1CCCO[C@H](C)C1 ZINC000568169881 326319378 /nfs/dbraw/zinc/31/93/78/326319378.db2.gz WXLMTIWZAOZISJ-SECBINFHSA-N 0 1 240.372 2.371 20 0 BEADMN CCC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CCCC1 ZINC000568228441 326329685 /nfs/dbraw/zinc/32/96/85/326329685.db2.gz ZXHPXSQJQZEBBX-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1nn(C)cc1Cn1c(C)nc2c1CCCC2 ZINC000568270311 326338475 /nfs/dbraw/zinc/33/84/75/326338475.db2.gz BESRLABLGIHBDS-UHFFFAOYSA-N 0 1 244.342 2.161 20 0 BEADMN CCN(CC)C(=O)c1c(C)n[nH]c1C(C)C ZINC000158910526 326345816 /nfs/dbraw/zinc/34/58/16/326345816.db2.gz OQBCXDNCWMOQOQ-UHFFFAOYSA-N 0 1 223.320 2.324 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2ccn(C)n2)o1 ZINC000568604516 326366904 /nfs/dbraw/zinc/36/69/04/326366904.db2.gz SAASXZBAXJVCGR-LLVKDONJSA-N 0 1 233.315 2.215 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1CCCC12CC2 ZINC000568783215 326377174 /nfs/dbraw/zinc/37/71/74/326377174.db2.gz PSKJOINKZIRCQU-LLVKDONJSA-N 0 1 248.374 2.455 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCC1CC1)C1CCC1 ZINC000569021941 326387337 /nfs/dbraw/zinc/38/73/37/326387337.db2.gz OFDWHHPAQIGMLU-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1ccc(CCC[N@H+](C)CCC(=O)[O-])cc1 ZINC000569124053 326392038 /nfs/dbraw/zinc/39/20/38/326392038.db2.gz YSPLSUPLMRZENM-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN1CCn2nncc2C1 ZINC000569259275 326398362 /nfs/dbraw/zinc/39/83/62/326398362.db2.gz XVERSTOZSAOKTD-TZMCWYRMSA-N 0 1 246.358 2.086 20 0 BEADMN Cc1cnccc1CNCc1ccccc1CO ZINC000569306970 326399603 /nfs/dbraw/zinc/39/96/03/326399603.db2.gz JSXAYKKHUBVDDQ-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN Cc1cccc(CCN[C@@H](C)c2ccon2)n1 ZINC000572874023 326416138 /nfs/dbraw/zinc/41/61/38/326416138.db2.gz PELJHSNFOWFULI-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN CC(C)=CCN1CCN(c2cc(C)ccn2)CC1 ZINC000166093319 326428062 /nfs/dbraw/zinc/42/80/62/326428062.db2.gz GQBUQUKTVDBBEE-UHFFFAOYSA-N 0 1 245.370 2.478 20 0 BEADMN CC(C)C1CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000677120349 487973453 /nfs/dbraw/zinc/97/34/53/487973453.db2.gz SDDWLDQDKMIXDC-UHFFFAOYSA-N 0 1 243.310 2.291 20 0 BEADMN CCCc1cc(C(=O)N2CC(C(C)C)C2)n[nH]1 ZINC000677121757 487974110 /nfs/dbraw/zinc/97/41/10/487974110.db2.gz MZKLTNGMSCPGMZ-UHFFFAOYSA-N 0 1 235.331 2.090 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccsc1 ZINC000034544384 487977172 /nfs/dbraw/zinc/97/71/72/487977172.db2.gz KVXNVGLDHIFFKQ-PSASIEDQSA-N 0 1 225.313 2.358 20 0 BEADMN Cc1cc(COc2cc(C)nc(C)c2)nn1C ZINC000681359417 487979871 /nfs/dbraw/zinc/97/98/71/487979871.db2.gz ACYVIMLALZDDSP-UHFFFAOYSA-N 0 1 231.299 2.319 20 0 BEADMN Cc1nccc(N[C@H]2COC(C)(C)C2)c1Cl ZINC000396561178 487982827 /nfs/dbraw/zinc/98/28/27/487982827.db2.gz SYUCQYMTTMVPAL-SECBINFHSA-N 0 1 240.734 2.445 20 0 BEADMN CCC(C)(CC)C(=O)N1CCN2CCC1CC2 ZINC000682567443 487990249 /nfs/dbraw/zinc/99/02/49/487990249.db2.gz PIDIKPCUXNLWNY-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000666033527 487990758 /nfs/dbraw/zinc/99/07/58/487990758.db2.gz OKIMBLHNNUZGTR-NSHDSACASA-N 0 1 247.342 2.305 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677177410 487991457 /nfs/dbraw/zinc/99/14/57/487991457.db2.gz NCYLFOWVQDFUJX-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CCN(C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000677177825 487991042 /nfs/dbraw/zinc/99/10/42/487991042.db2.gz WUIQGEHVWPEWQO-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN CC1=C[C@@H](C)C[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC000668604163 487996877 /nfs/dbraw/zinc/99/68/77/487996877.db2.gz QGFPUYGKSYELAQ-YPMHNXCESA-N 0 1 248.374 2.239 20 0 BEADMN Cc1cnc(CCNCc2cocn2)c(C)c1 ZINC000401022840 488000235 /nfs/dbraw/zinc/00/02/35/488000235.db2.gz IFSFADNOFPINDF-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2CCOC2)s1 ZINC000134861599 488001736 /nfs/dbraw/zinc/00/17/36/488001736.db2.gz ACMSEDHXJWKOJK-SECBINFHSA-N 0 1 226.345 2.145 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135034398 488012242 /nfs/dbraw/zinc/01/22/42/488012242.db2.gz DFWUOGAIXJLQLW-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)N(C)Cc1cc(C(F)(F)F)nn1C ZINC000667472517 488018997 /nfs/dbraw/zinc/01/89/97/488018997.db2.gz LRFAYYJGCXPBRA-UHFFFAOYSA-N 0 1 235.253 2.279 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ncn(C)n1 ZINC000391830710 488019357 /nfs/dbraw/zinc/01/93/57/488019357.db2.gz GVPWIVBODCEQPA-WISYIIOYSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ncn(C)n1 ZINC000391830703 488019388 /nfs/dbraw/zinc/01/93/88/488019388.db2.gz GVPWIVBODCEQPA-NOOOWODRSA-N 0 1 236.363 2.290 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1CCC1 ZINC000677341579 488022366 /nfs/dbraw/zinc/02/23/66/488022366.db2.gz GKGHOKJWTXXOTN-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN O=C(NC1CC=CC1)c1[nH]nc2c1CCCCC2 ZINC000682727617 488027345 /nfs/dbraw/zinc/02/73/45/488027345.db2.gz UKOMIYGPWDAJMK-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN CC[C@H](NC)c1nc(-c2cccs2)no1 ZINC000044625689 488029810 /nfs/dbraw/zinc/02/98/10/488029810.db2.gz INQKMAHZQIBGNJ-ZETCQYMHSA-N 0 1 223.301 2.469 20 0 BEADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)nc1C ZINC000318906047 488035131 /nfs/dbraw/zinc/03/51/31/488035131.db2.gz RHCQGUZOWFUEAJ-JTQLQIEISA-N 0 1 244.298 2.173 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000682777627 488037761 /nfs/dbraw/zinc/03/77/61/488037761.db2.gz ODMDGRXJJCNFHI-MXWKQRLJSA-N 0 1 237.347 2.498 20 0 BEADMN COCc1csc(CN2CCCOCC2)c1 ZINC000667532161 488040321 /nfs/dbraw/zinc/04/03/21/488040321.db2.gz CQMUANFIIFPHFI-UHFFFAOYSA-N 0 1 241.356 2.117 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCC2(C)C)[nH]1 ZINC000670071165 488043117 /nfs/dbraw/zinc/04/31/17/488043117.db2.gz GFOFETXPPBFAKJ-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000682852973 488054131 /nfs/dbraw/zinc/05/41/31/488054131.db2.gz KQUCLTBCBPFMLQ-NWDGAFQWSA-N 0 1 237.274 2.436 20 0 BEADMN CCNc1cc(C)ccc1NC(=O)[C@H](C)N(C)C ZINC000682942208 488068701 /nfs/dbraw/zinc/06/87/01/488068701.db2.gz NFXLQLGVYONCNK-NSHDSACASA-N 0 1 249.358 2.315 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000670085406 488074405 /nfs/dbraw/zinc/07/44/05/488074405.db2.gz YPHJHSKUICZTDI-YPMHNXCESA-N 0 1 239.338 2.125 20 0 BEADMN CCn1nccc1CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000670085406 488074408 /nfs/dbraw/zinc/07/44/08/488074408.db2.gz YPHJHSKUICZTDI-YPMHNXCESA-N 0 1 239.338 2.125 20 0 BEADMN Cc1ncccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000257639517 488075348 /nfs/dbraw/zinc/07/53/48/488075348.db2.gz BAYQJBXPNSKHKA-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN CCc1cccc(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000346358171 488075628 /nfs/dbraw/zinc/07/56/28/488075628.db2.gz JVRHLCOMHLXDTB-KBPBESRZSA-N 0 1 237.318 2.154 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cn(C3CCC3)nn2)C1 ZINC000667664815 488079972 /nfs/dbraw/zinc/07/99/72/488079972.db2.gz TXFSSKUWBDIILM-MNOVXSKESA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cn(C3CCC3)nn2)C1 ZINC000667664816 488079847 /nfs/dbraw/zinc/07/98/47/488079847.db2.gz TXFSSKUWBDIILM-QWRGUYRKSA-N 0 1 234.347 2.233 20 0 BEADMN COC1(CN2CCc3c[nH]nc3C2)CCCCC1 ZINC000682996550 488081417 /nfs/dbraw/zinc/08/14/17/488081417.db2.gz DECRIOBLIMUYJD-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN c1c(CN2CC[C@@H](C3CC3)C2)nnn1C1CCC1 ZINC000667680881 488085407 /nfs/dbraw/zinc/08/54/07/488085407.db2.gz VABLSVPAXGRLJX-GFCCVEGCSA-N 0 1 246.358 2.235 20 0 BEADMN CC(=O)CN(C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172712591 974926195 /nfs/dbraw/zinc/92/61/95/974926195.db2.gz AQTWJGRBFXVIEG-ZDUSSCGKSA-N 0 1 237.730 2.328 20 0 BEADMN Cc1ccnc(CN2CCSC[C@H]2C)c1 ZINC000683010553 488090566 /nfs/dbraw/zinc/09/05/66/488090566.db2.gz IQCMRHYWCYJWIL-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378674236 488100400 /nfs/dbraw/zinc/10/04/00/488100400.db2.gz NZWANJBDTPMFQP-UHFFFAOYSA-N 0 1 242.344 2.319 20 0 BEADMN C[C@H](CO)CN1CCc2cc(Cl)ccc2C1 ZINC000683028396 488100521 /nfs/dbraw/zinc/10/05/21/488100521.db2.gz QFBAHUSGCBYQKV-JTQLQIEISA-N 0 1 239.746 2.327 20 0 BEADMN c1csc(CN2CCC3(CCOC3)CC2)n1 ZINC000677719391 488101278 /nfs/dbraw/zinc/10/12/78/488101278.db2.gz FRBDXNNBERHSBP-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN CCCN1C(=O)N=NC1SCC1CC=CC1 ZINC000657231637 488106927 /nfs/dbraw/zinc/10/69/27/488106927.db2.gz ILVXIJHHLMKDRC-UHFFFAOYSA-N 0 1 239.344 2.452 20 0 BEADMN C[C@@H](C1CCC1)N(C)CC(=O)c1cccn1C ZINC000325686761 487537178 /nfs/dbraw/zinc/53/71/78/487537178.db2.gz MQDNPNPKXXNDCD-NSHDSACASA-N 0 1 234.343 2.328 20 0 BEADMN FC(F)[C@H]1CCN(CCOCC(F)(F)F)C1 ZINC000677731238 488110359 /nfs/dbraw/zinc/11/03/59/488110359.db2.gz NPTMTTIHKOMHRR-ZETCQYMHSA-N 0 1 247.207 2.152 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000166842831 488111370 /nfs/dbraw/zinc/11/13/70/488111370.db2.gz VKLUSMYWDAMQJG-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN CCC(CC)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000517390452 488121831 /nfs/dbraw/zinc/12/18/31/488121831.db2.gz DJSRLBXDPHVUHI-JTQLQIEISA-N 0 1 237.347 2.141 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403370942 488121990 /nfs/dbraw/zinc/12/19/90/488121990.db2.gz ZVQHVBLMNKJBJM-WISYIIOYSA-N 0 1 237.343 2.360 20 0 BEADMN C[C@H](O)C1(NCc2cccc(Cl)c2F)CC1 ZINC000668697125 488127887 /nfs/dbraw/zinc/12/78/87/488127887.db2.gz AWTJDKFLQADOPJ-QMMMGPOBSA-N 0 1 243.709 2.482 20 0 BEADMN C[C@H](O)C1(NCc2cc(F)c(F)cc2F)CC1 ZINC000668697107 488128062 /nfs/dbraw/zinc/12/80/62/488128062.db2.gz AGNURBXCLVZAIG-ZETCQYMHSA-N 0 1 245.244 2.107 20 0 BEADMN C[C@@H](O)C1(NCc2ccc(F)cc2Cl)CC1 ZINC000668698233 488130115 /nfs/dbraw/zinc/13/01/15/488130115.db2.gz XVKBYOAHCQVQEJ-MRVPVSSYSA-N 0 1 243.709 2.482 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)[C@H](C)N(C)C ZINC000674265383 487542623 /nfs/dbraw/zinc/54/26/23/487542623.db2.gz GYJDDVTYTSDZIM-NEPJUHHUSA-N 0 1 234.343 2.156 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN1CCc2nn[nH]c2C1 ZINC000668790854 487542761 /nfs/dbraw/zinc/54/27/61/487542761.db2.gz FPUHGIQCGMCROG-NWDGAFQWSA-N 0 1 246.358 2.155 20 0 BEADMN C[C@@H](N(C)C(=O)c1ccc(CN)o1)C(C)(C)C ZINC000094568125 487545188 /nfs/dbraw/zinc/54/51/88/487545188.db2.gz FNRYRFRDRXSVQQ-SECBINFHSA-N 0 1 238.331 2.245 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000382546074 487545662 /nfs/dbraw/zinc/54/56/62/487545662.db2.gz ZERCUYTVKNBBOW-MRVPVSSYSA-N 0 1 237.221 2.044 20 0 BEADMN Cc1cccc2c1CCCN2C(=O)[C@H](C)N(C)C ZINC000674289001 487549682 /nfs/dbraw/zinc/54/96/82/487549682.db2.gz VOXFXVAKPVLLEN-LBPRGKRZSA-N 0 1 246.354 2.224 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N(C)C ZINC000674289117 487549802 /nfs/dbraw/zinc/54/98/02/487549802.db2.gz VTNHSVXCUWFXDM-UMSGYPCISA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](C(=O)N1CCC2(C1)CCCCC2)N(C)C ZINC000674289134 487550577 /nfs/dbraw/zinc/55/05/77/487550577.db2.gz WVTGVHVATAMQRF-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc(C)c(CN2CC=C(C)CC2)o1 ZINC000685569593 487551627 /nfs/dbraw/zinc/55/16/27/487551627.db2.gz KVPFEDAPSVHTGW-UHFFFAOYSA-N 0 1 206.289 2.443 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000680257513 487553085 /nfs/dbraw/zinc/55/30/85/487553085.db2.gz SIRGIUIHOWAUPA-NSHDSACASA-N 0 1 245.326 2.442 20 0 BEADMN COCC1=CCN(Cc2oc(C)nc2C)CC1 ZINC000685573147 487554397 /nfs/dbraw/zinc/55/43/97/487554397.db2.gz JCLVRBAJZVKOIK-UHFFFAOYSA-N 0 1 236.315 2.070 20 0 BEADMN C[C@@H](O)[C@H](NCC1(F)CC1)c1ccccc1 ZINC000668787504 487532770 /nfs/dbraw/zinc/53/27/70/487532770.db2.gz AZPZMGZTWZNVAD-PWSUYJOCSA-N 0 1 223.291 2.200 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@@H](N)c1ccccc1)C1CC1 ZINC000324115843 487533191 /nfs/dbraw/zinc/53/31/91/487533191.db2.gz RQDZNISNVGKVBO-UONOGXRCSA-N 0 1 246.354 2.237 20 0 BEADMN CN[C@@H](C)c1cn(-c2ccccc2Cl)nn1 ZINC000258846600 488139027 /nfs/dbraw/zinc/13/90/27/488139027.db2.gz SGVVTDAEHUHBAE-QMMMGPOBSA-N 0 1 236.706 2.201 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@H]1c1ccccc1)N(C)C ZINC000674244623 487533338 /nfs/dbraw/zinc/53/33/38/487533338.db2.gz JDQRXCCQMFSASB-JSGCOSHPSA-N 0 1 246.354 2.300 20 0 BEADMN CC(C)(C)[C@@H]1CCN(c2ncnc3[nH]cnc32)C1 ZINC000680073333 487533499 /nfs/dbraw/zinc/53/34/99/487533499.db2.gz ZEJSLOMSQICRPD-SECBINFHSA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccsc1 ZINC000061363254 487473283 /nfs/dbraw/zinc/47/32/83/487473283.db2.gz ILHGRILJUWXACQ-BDAKNGLRSA-N 0 1 238.356 2.066 20 0 BEADMN Cc1cccnc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000161043437 487473709 /nfs/dbraw/zinc/47/37/09/487473709.db2.gz MKPHWZKTRJUHQB-LBPRGKRZSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3cccnc32)[nH]n1 ZINC000684957042 487474956 /nfs/dbraw/zinc/47/49/56/487474956.db2.gz MRINUJPDBXLNLC-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1ccccc1CN(C)Cc1cn[nH]c1 ZINC000673927347 487481413 /nfs/dbraw/zinc/48/14/13/487481413.db2.gz VWHLTYMDNPCRCT-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668226246 487485484 /nfs/dbraw/zinc/48/54/84/487485484.db2.gz HMBZXTBGOMIVJK-WCQYABFASA-N 0 1 248.326 2.209 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000380800475 487487010 /nfs/dbraw/zinc/48/70/10/487487010.db2.gz HZETXIBIBBWYQJ-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc(CNCc2ccno2)s1 ZINC000231881340 487487016 /nfs/dbraw/zinc/48/70/16/487487016.db2.gz FWCNZFCDQDRTQM-UHFFFAOYSA-N 0 1 208.286 2.334 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000399588799 487490006 /nfs/dbraw/zinc/49/00/06/487490006.db2.gz UPSACJIFXRAXJW-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CCc1nc(NCCCCC(=O)[O-])cc(C)[nH+]1 ZINC000304364508 487493774 /nfs/dbraw/zinc/49/37/74/487493774.db2.gz SWRIJZRXQZLWDS-UHFFFAOYSA-N 0 1 237.303 2.014 20 0 BEADMN C[C@H](C[N@@H+](C)CCCC(=O)[O-])C(C)(C)C ZINC000308790946 487494305 /nfs/dbraw/zinc/49/43/05/487494305.db2.gz IGOSPKFNLVLYMF-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN CC[N@@H+](CCC(C)(C)C1CC1)CC(=O)[O-] ZINC000406018682 487494586 /nfs/dbraw/zinc/49/45/86/487494586.db2.gz CMITXDGKALQPDU-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)c1ncc(CN(C)[C@@H]2CCCOC2)cn1 ZINC000685040959 487495889 /nfs/dbraw/zinc/49/58/89/487495889.db2.gz UHWFXCTUXGUBPO-CYBMUJFWSA-N 0 1 249.358 2.211 20 0 BEADMN Cc1ncc(CN2CC(C3CCCC3)C2)n1C ZINC000668232404 487500104 /nfs/dbraw/zinc/50/01/04/487500104.db2.gz PIZJHPJHBBIFDO-UHFFFAOYSA-N 0 1 233.359 2.351 20 0 BEADMN c1nc2n(c1CN1CC(C3CCCC3)C1)CCC2 ZINC000668232347 487501211 /nfs/dbraw/zinc/50/12/11/487501211.db2.gz NDQTTWXDKGGMAR-UHFFFAOYSA-N 0 1 245.370 2.451 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)[C@H](C(=O)[O-])C1CC1 ZINC000086437903 487507091 /nfs/dbraw/zinc/50/70/91/487507091.db2.gz MQMBPRQKMUWJNM-ONGXEEELSA-N 0 1 213.321 2.218 20 0 BEADMN CN[C@@H](C)c1cn(CCCc2ccccc2)nn1 ZINC000381313156 487504074 /nfs/dbraw/zinc/50/40/74/487504074.db2.gz QAWHGUYIEHVHQH-LBPRGKRZSA-N 0 1 244.342 2.191 20 0 BEADMN Cc1ccc(CN(C)CC2=CCSC2)cn1 ZINC000662266677 487504055 /nfs/dbraw/zinc/50/40/55/487504055.db2.gz KVKJDBPPMVWRIA-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H](O)CN1CC[C@@H]1c1cccc(F)c1 ZINC000674047596 487504358 /nfs/dbraw/zinc/50/43/58/487504358.db2.gz NWRBPGOTLRXQRO-CHWSQXEVSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H](CO)C1)c1cscn1 ZINC000304608984 487512644 /nfs/dbraw/zinc/51/26/44/487512644.db2.gz NJUNCXDNLFWKJQ-GARJFASQSA-N 0 1 240.372 2.345 20 0 BEADMN CCC1(NC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000295792018 487514837 /nfs/dbraw/zinc/51/48/37/487514837.db2.gz FDSLWCVNWPPHMR-UHFFFAOYSA-N 0 1 247.273 2.374 20 0 BEADMN C[C@H]1CC[C@H](C)[NH+]1Cc1ncccc1[O-] ZINC000685420570 487519795 /nfs/dbraw/zinc/51/97/95/487519795.db2.gz MEUSOYRLODIJLT-UWVGGRQHSA-N 0 1 206.289 2.160 20 0 BEADMN Cc1cc(CNC(=O)c2cscc2C)n[nH]1 ZINC000674094782 487519370 /nfs/dbraw/zinc/51/93/70/487519370.db2.gz XTMFOYKZFNHWED-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN CN(CC1=CCSC1)Cc1cccc(O)c1 ZINC000668775923 487521827 /nfs/dbraw/zinc/52/18/27/487521827.db2.gz SZCDXPZAMNAKQV-UHFFFAOYSA-N 0 1 235.352 2.497 20 0 BEADMN COc1cccc(CN(C)C[C@H](C)OC)c1F ZINC000685447655 487525676 /nfs/dbraw/zinc/52/56/76/487525676.db2.gz IOWOCPAABZURAG-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN c1n[nH]cc1CN1CCC[C@H]1c1cccnc1 ZINC000685452951 487526855 /nfs/dbraw/zinc/52/68/55/487526855.db2.gz MPMCOMJDQSNTNL-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN CO[C@@H](CNCc1nccs1)CC(C)C ZINC000669572450 487527311 /nfs/dbraw/zinc/52/73/11/487527311.db2.gz WOEJGCDNAMCSJQ-SNVBAGLBSA-N 0 1 228.361 2.294 20 0 BEADMN CCOCCCn1c(C)nc2c1CCCC2 ZINC000160731838 488154973 /nfs/dbraw/zinc/15/49/73/488154973.db2.gz CYNJKEYAOUOYNH-UHFFFAOYSA-N 0 1 222.332 2.497 20 0 BEADMN C[C@@H](C(=O)N(C)CCC1CCCCC1)N(C)C ZINC000674246236 487534988 /nfs/dbraw/zinc/53/49/88/487534988.db2.gz GSPHRMWMTWXGPI-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000674911211 487653170 /nfs/dbraw/zinc/65/31/70/487653170.db2.gz GZXHDXQHCPHYIX-OCCSQVGLSA-N 0 1 232.327 2.255 20 0 BEADMN [O-]c1cccc2c(N3CCSCC3)cc[nH+]c12 ZINC000682239215 487930561 /nfs/dbraw/zinc/93/05/61/487930561.db2.gz FJIHTXWICMNREA-UHFFFAOYSA-N 0 1 246.335 2.494 20 0 BEADMN CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(O)cc1 ZINC000682406172 487948839 /nfs/dbraw/zinc/94/88/39/487948839.db2.gz CTIXQOMYMTXAKW-OAHLLOKOSA-N 0 1 248.370 2.164 20 0 BEADMN C[N@@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000667492130 488025713 /nfs/dbraw/zinc/02/57/13/488025713.db2.gz XFAUSFIJJSYWQU-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN C[C@@H](NCc1n[nH]c2ccccc12)c1cn[nH]c1 ZINC000677425397 488033553 /nfs/dbraw/zinc/03/35/53/488033553.db2.gz BILVLXOYDYXFHM-SECBINFHSA-N 0 1 241.298 2.137 20 0 BEADMN C[C@@H](NCc1[nH]nc2ccccc21)c1cn[nH]c1 ZINC000677425397 488033560 /nfs/dbraw/zinc/03/35/60/488033560.db2.gz BILVLXOYDYXFHM-SECBINFHSA-N 0 1 241.298 2.137 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000379491013 488140427 /nfs/dbraw/zinc/14/04/27/488140427.db2.gz QGHYNUIBKZQHBG-RKDXNWHRSA-N 0 1 201.310 2.074 20 0 BEADMN C[C@@H](O)C1(NCc2sccc2Cl)CC1 ZINC000668703109 488140438 /nfs/dbraw/zinc/14/04/38/488140438.db2.gz XNCIEICECZBPHV-SSDOTTSWSA-N 0 1 231.748 2.405 20 0 BEADMN C[N@@H+](CCC(C)(C)C)CC1(C(=O)[O-])CC1 ZINC000258898562 488141631 /nfs/dbraw/zinc/14/16/31/488141631.db2.gz KTXKEXXPWCKICE-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN C1CN[C@@H](c2noc([C@@H]3CCCSC3)n2)C1 ZINC000258896510 488141715 /nfs/dbraw/zinc/14/17/15/488141715.db2.gz OAPIBKQESYMROL-RKDXNWHRSA-N 0 1 239.344 2.105 20 0 BEADMN Cc1cnc(CN[C@@H]2CO[C@H](C3CC3)C2)s1 ZINC000667869814 488142401 /nfs/dbraw/zinc/14/24/01/488142401.db2.gz HVLBGQYIOQDHMV-QWRGUYRKSA-N 0 1 238.356 2.109 20 0 BEADMN CCN(CC(=O)N(C)C)[C@H](C)c1cccc(C)c1 ZINC000677883285 488146817 /nfs/dbraw/zinc/14/68/17/488146817.db2.gz OXOOPLPDHMCUEV-CYBMUJFWSA-N 0 1 248.370 2.466 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CC2)[C@@H](C)C1 ZINC000668710956 488152819 /nfs/dbraw/zinc/15/28/19/488152819.db2.gz NNDGCXPOWURVDU-WOPDTQHZSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(C)cc(CN(C)C(=O)[C@H](C)N(C)C)c1 ZINC000683421837 488160667 /nfs/dbraw/zinc/16/06/67/488160667.db2.gz SORXLPOSOPPCMU-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN Fc1cccc([C@H]2CCN2CCn2ccnc2)c1 ZINC000677984786 488169630 /nfs/dbraw/zinc/16/96/30/488169630.db2.gz PWQRLQFFJUNJLH-CQSZACIVSA-N 0 1 245.301 2.469 20 0 BEADMN C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1)N(C)C ZINC000667967810 488170801 /nfs/dbraw/zinc/17/08/01/488170801.db2.gz GWYAWWLBKOBZHY-ZETCQYMHSA-N 0 1 244.697 2.368 20 0 BEADMN CCCCN(CCO)Cc1cc(C2CC2)no1 ZINC000659877957 488184769 /nfs/dbraw/zinc/18/47/69/488184769.db2.gz IVRVEDXLLULYJE-UHFFFAOYSA-N 0 1 238.331 2.146 20 0 BEADMN CN1CCN(Cc2cscc2Cl)CC1 ZINC000678119221 488198657 /nfs/dbraw/zinc/19/86/57/488198657.db2.gz VEMWRXOSKJTICP-UHFFFAOYSA-N 0 1 230.764 2.149 20 0 BEADMN CCN(Cc1cn[nH]c1)Cc1cccs1 ZINC000678124025 488200972 /nfs/dbraw/zinc/20/09/72/488200972.db2.gz CLTKDJMOWRIRRE-UHFFFAOYSA-N 0 1 221.329 2.493 20 0 BEADMN CC1=CCCN(Cc2ccnn2CC2CC2)C1 ZINC000668100399 488202976 /nfs/dbraw/zinc/20/29/76/488202976.db2.gz LGXZGKLICJYPQN-UHFFFAOYSA-N 0 1 231.343 2.445 20 0 BEADMN CCn1nncc1CNCc1c(C)cccc1C ZINC000669547329 488204169 /nfs/dbraw/zinc/20/41/69/488204169.db2.gz WOCWUCGZIBDTNX-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN c1n[nH]cc1CN1CCC[C@H]1c1ccccn1 ZINC000678142656 488206030 /nfs/dbraw/zinc/20/60/30/488206030.db2.gz INOMFLQFCPUGNB-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN C[C@H]1CN(C(=O)Nc2ccccc2)[C@@H](C)CN1C ZINC000678142877 488206705 /nfs/dbraw/zinc/20/67/05/488206705.db2.gz BQKGLPCEGXSKGT-RYUDHWBXSA-N 0 1 247.342 2.243 20 0 BEADMN c1cc(CN2CCC(c3cccnc3)CC2)on1 ZINC000678168788 488210338 /nfs/dbraw/zinc/21/03/38/488210338.db2.gz GDJTUVNQWHTWEK-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1CC1 ZINC000085828082 488210938 /nfs/dbraw/zinc/21/09/38/488210938.db2.gz CMCUDVJZYYHJKW-MRVPVSSYSA-N 0 1 223.272 2.381 20 0 BEADMN CCCn1nccc1CN(C)C(C)(C)COC ZINC000668187747 488217825 /nfs/dbraw/zinc/21/78/25/488217825.db2.gz PVBZCFVGYBIJHO-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN Cc1cnc(CN[C@@H]2CCOC(C)(C)C2)o1 ZINC000231640470 488218418 /nfs/dbraw/zinc/21/84/18/488218418.db2.gz DFMONSRFZPVBBF-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN Oc1ccc([C@@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC000678212823 488218510 /nfs/dbraw/zinc/21/85/10/488218510.db2.gz HEIJSMZKBREGGU-AWEZNQCLSA-N 0 1 243.310 2.452 20 0 BEADMN COc1ccc(CCNCc2ncc(C)o2)cc1 ZINC000231651512 488219416 /nfs/dbraw/zinc/21/94/16/488219416.db2.gz BVPSPFFLQBFZTC-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN Cc1cnc(CNC[C@@H]2Cc3ccccc32)o1 ZINC000231650847 488219470 /nfs/dbraw/zinc/21/94/70/488219470.db2.gz UWATWMOOHQRGJF-LBPRGKRZSA-N 0 1 228.295 2.413 20 0 BEADMN Cc1cnc(CNCCCC(F)(F)F)o1 ZINC000231651588 488219484 /nfs/dbraw/zinc/21/94/84/488219484.db2.gz OPQVIMIOFXBEEY-UHFFFAOYSA-N 0 1 222.210 2.415 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC1CCC1 ZINC000398564106 488220847 /nfs/dbraw/zinc/22/08/47/488220847.db2.gz FLZGOQRASBCRPS-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC1CCC1 ZINC000398707631 488222805 /nfs/dbraw/zinc/22/28/05/488222805.db2.gz CGDAVGOJMNMLMT-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@@H](CO)N(C)Cc1ccc(F)c(F)c1F ZINC000668202378 488222882 /nfs/dbraw/zinc/22/28/82/488222882.db2.gz YZKDXHIINSYZPX-VIFPVBQESA-N 0 1 247.260 2.307 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398723062 488223639 /nfs/dbraw/zinc/22/36/39/488223639.db2.gz JJCRMLZAGQUTAJ-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN CCc1noc(CN(C)C2(C)CCCC2)n1 ZINC000683805222 488224064 /nfs/dbraw/zinc/22/40/64/488224064.db2.gz LHANGFUPXGWKHC-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398790832 488224757 /nfs/dbraw/zinc/22/47/57/488224757.db2.gz PKSQZWONBGRMDG-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN Cc1nnc(NC(=O)C2CCC3(CC3)CC2)[nH]1 ZINC000668211114 488226605 /nfs/dbraw/zinc/22/66/05/488226605.db2.gz XHTTXDPMGBTPAS-UHFFFAOYSA-N 0 1 234.303 2.022 20 0 BEADMN Cc1nnc(NC(=O)c2c(C)cc(F)cc2C)[nH]1 ZINC000668211192 488227200 /nfs/dbraw/zinc/22/72/00/488227200.db2.gz ZMSDJONTCRYPFD-UHFFFAOYSA-N 0 1 248.261 2.121 20 0 BEADMN Cc1n[nH]c(NC(=O)c2c(C)cc(F)cc2C)n1 ZINC000668211192 488227203 /nfs/dbraw/zinc/22/72/03/488227203.db2.gz ZMSDJONTCRYPFD-UHFFFAOYSA-N 0 1 248.261 2.121 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(CC)C[C@@H]1C ZINC000672189536 488243907 /nfs/dbraw/zinc/24/39/07/488243907.db2.gz VVGHCJDWPARKEQ-OTAKNEKHSA-N 0 1 236.359 2.061 20 0 BEADMN CC(C)C[C@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000683919783 488244816 /nfs/dbraw/zinc/24/48/16/488244816.db2.gz OKTWASYEJMETKX-JTQLQIEISA-N 0 1 237.347 2.238 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1cnc(C)nc1 ZINC000678362881 488247275 /nfs/dbraw/zinc/24/72/75/488247275.db2.gz RXHXKDJWKGQEHX-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN Cc1ccc([C@@H](C)NCc2ccnn2C)c(C)n1 ZINC000678412380 488252694 /nfs/dbraw/zinc/25/26/94/488252694.db2.gz VPUPKMNSYDDRGF-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ccc([C@@H](C)NCc2cnn(C)c2)c(C)n1 ZINC000678415089 488252746 /nfs/dbraw/zinc/25/27/46/488252746.db2.gz YFZVDWCJZSZZPW-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cnc(CN2CCC[C@H](CCO)C2)s1 ZINC000678516139 488263637 /nfs/dbraw/zinc/26/36/37/488263637.db2.gz DZHDNCIKHXOYPO-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN CCN(Cc1ncc(C)s1)C[C@@H]1CCOC1 ZINC000678514699 488263829 /nfs/dbraw/zinc/26/38/29/488263829.db2.gz QATMCAKWAKNFFC-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cn2cccc(C)c2n1 ZINC000678591224 488269464 /nfs/dbraw/zinc/26/94/64/488269464.db2.gz JQNIUPUTIGEMQZ-VXGBXAGGSA-N 0 1 247.342 2.156 20 0 BEADMN COc1ccc(OC)c(CN2CC=CCC2)c1 ZINC000679321563 488336040 /nfs/dbraw/zinc/33/60/40/488336040.db2.gz IKKSQBKPWSXHHW-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN Cc1nsc(NCc2ccc3nc[nH]c3c2)n1 ZINC000679118041 488310189 /nfs/dbraw/zinc/31/01/89/488310189.db2.gz YDBVBVVXOVFIIJ-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CO[C@H](C)[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127380 488311315 /nfs/dbraw/zinc/31/13/15/488311315.db2.gz MGHMMEVWQVPYBP-WDEREUQCSA-N 0 1 246.314 2.103 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000679169654 488314627 /nfs/dbraw/zinc/31/46/27/488314627.db2.gz VCANWGFLFHBBSC-XVKPBYJWSA-N 0 1 233.267 2.189 20 0 BEADMN C[C@H](Nc1ccnc(C(C)(C)C)n1)c1nnc[nH]1 ZINC000679190243 488315537 /nfs/dbraw/zinc/31/55/37/488315537.db2.gz UYFGXJVYGZDTRT-QMMMGPOBSA-N 0 1 246.318 2.065 20 0 BEADMN [O-]c1cccc2c(N[C@H]3CCOC3)cc[nH+]c12 ZINC000684579257 488328705 /nfs/dbraw/zinc/32/87/05/488328705.db2.gz IEXRFECOZGLGBE-VIFPVBQESA-N 0 1 230.267 2.141 20 0 BEADMN [O-]c1cccc2c(NCC3(CO)CC3)cc[nH+]c12 ZINC000684575593 488328811 /nfs/dbraw/zinc/32/88/11/488328811.db2.gz XIKMKYNBTKWJPD-UHFFFAOYSA-N 0 1 244.294 2.125 20 0 BEADMN CC(C)(CO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684577940 488328829 /nfs/dbraw/zinc/32/88/29/488328829.db2.gz JHFHUMURBKNHLU-UHFFFAOYSA-N 0 1 246.310 2.371 20 0 BEADMN Fc1cccc([C@@H]2CCN2Cc2cnc[nH]2)c1 ZINC000684617634 488332482 /nfs/dbraw/zinc/33/24/82/488332482.db2.gz AKZJQTIGFRWART-ZDUSSCGKSA-N 0 1 231.274 2.496 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679359884 488345750 /nfs/dbraw/zinc/34/57/50/488345750.db2.gz ROTXTOOWUGRRNX-ONGXEEELSA-N 0 1 238.306 2.276 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679359882 488346025 /nfs/dbraw/zinc/34/60/25/488346025.db2.gz ROTXTOOWUGRRNX-KOLCDFICSA-N 0 1 238.306 2.276 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000679557544 488357996 /nfs/dbraw/zinc/35/79/96/488357996.db2.gz QSHLTCRWZHIHSQ-WPRPVWTQSA-N 0 1 223.320 2.017 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000679557419 488358114 /nfs/dbraw/zinc/35/81/14/488358114.db2.gz MWTSKTLVCNSZQC-IAZYJMLFSA-N 0 1 249.358 2.407 20 0 BEADMN COc1cc(C)c(CN2CC=CCC2)c(C)n1 ZINC000679773994 488366270 /nfs/dbraw/zinc/36/62/70/488366270.db2.gz YJGIBTORSYVHPU-UHFFFAOYSA-N 0 1 232.327 2.469 20 0 BEADMN FC1(CNCc2ccc3c(c2)OCCO3)CC1 ZINC000526974363 490104694 /nfs/dbraw/zinc/10/46/94/490104694.db2.gz FXNBMJXEUPCGIM-UHFFFAOYSA-N 0 1 237.274 2.050 20 0 BEADMN CCc1cccc(CNCc2cncn2C)c1 ZINC000651813690 490143908 /nfs/dbraw/zinc/14/39/08/490143908.db2.gz VTYMGQLOIGTONZ-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN Cc1ccc(N2N=C3CCCCC[C@@H]3C2=O)nn1 ZINC000109522639 490162994 /nfs/dbraw/zinc/16/29/94/490162994.db2.gz IQVWCMMOLPZTQW-JTQLQIEISA-N 0 1 244.298 2.068 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CC ZINC000191982227 490210069 /nfs/dbraw/zinc/21/00/69/490210069.db2.gz SITZKOWNWPVPAB-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN C[C@@H](C(=O)N(C1CC1)C1CCCCC1)N(C)C ZINC000078693711 490218196 /nfs/dbraw/zinc/21/81/96/490218196.db2.gz LLVBFRCGYUTZSA-NSHDSACASA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)N(C)C ZINC000078762179 490233918 /nfs/dbraw/zinc/23/39/18/490233918.db2.gz WJOOKWDAWJLSFY-SDDRHHMPSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)N(C)C ZINC000078762172 490234186 /nfs/dbraw/zinc/23/41/86/490234186.db2.gz WJOOKWDAWJLSFY-GRYCIOLGSA-N 0 1 240.391 2.268 20 0 BEADMN C1=C(c2nc([C@H]3CCCN3)no2)CCCC1 ZINC000647146411 490247404 /nfs/dbraw/zinc/24/74/04/490247404.db2.gz UZNOHDSEBJGWNV-SNVBAGLBSA-N 0 1 219.288 2.452 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cn1 ZINC000228886614 490306268 /nfs/dbraw/zinc/30/62/68/490306268.db2.gz SFZHBUDJYXPOSP-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cn1 ZINC000228886888 490306277 /nfs/dbraw/zinc/30/62/77/490306277.db2.gz YJTHNQFSNMHDHK-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN COCc1cccc(CNCc2n[nH]cc2C)c1 ZINC000290030284 490307555 /nfs/dbraw/zinc/30/75/55/490307555.db2.gz VUPCKRIIJZMZKD-UHFFFAOYSA-N 0 1 245.326 2.154 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)c2ccccc21)N(C)C ZINC000078686977 490334444 /nfs/dbraw/zinc/33/44/44/490334444.db2.gz ALNXRRXCEYIJRI-MNOVXSKESA-N 0 1 232.327 2.087 20 0 BEADMN Cc1nc2cc(N[C@H]3CO[C@H](C)C3)ccc2n1C ZINC000647195580 490343782 /nfs/dbraw/zinc/34/37/82/490343782.db2.gz WXTMOGRBVUOWSF-BXKDBHETSA-N 0 1 245.326 2.471 20 0 BEADMN Cc1nc2c(n1Cc1cccnc1N)CCCC2 ZINC000216936175 490417310 /nfs/dbraw/zinc/41/73/10/490417310.db2.gz TYKCDLGNMGXOAB-UHFFFAOYSA-N 0 1 242.326 2.096 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1ccccc1CO ZINC000305106537 490435163 /nfs/dbraw/zinc/43/51/63/490435163.db2.gz FDCNSSYIPVUUPM-SNVBAGLBSA-N 0 1 245.326 2.061 20 0 BEADMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000074726843 490500517 /nfs/dbraw/zinc/50/05/17/490500517.db2.gz YXITWTXHZLRSQB-LLVKDONJSA-N 0 1 243.310 2.220 20 0 BEADMN Cc1nc2c(n1[C@@H](C)[C@@H](C)O)CCCC2 ZINC000127363186 490546832 /nfs/dbraw/zinc/54/68/32/490546832.db2.gz CAGNBVHWCLIJRV-DTWKUNHWSA-N 0 1 208.305 2.012 20 0 BEADMN C[C@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000040718714 490616004 /nfs/dbraw/zinc/61/60/04/490616004.db2.gz PSLIGJILTOHXSA-NSHDSACASA-N 0 1 249.310 2.105 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000131455735 490640828 /nfs/dbraw/zinc/64/08/28/490640828.db2.gz UUVAHDGJBPODNE-QWRGUYRKSA-N 0 1 249.358 2.480 20 0 BEADMN FC1(F)CC[C@H](NCc2nccs2)C1 ZINC000306561663 490643094 /nfs/dbraw/zinc/64/30/94/490643094.db2.gz NJYOGRZDJMIZTN-ZETCQYMHSA-N 0 1 218.272 2.421 20 0 BEADMN Cc1cc(CNCc2ccccc2)ncn1 ZINC000306634393 490645300 /nfs/dbraw/zinc/64/53/00/490645300.db2.gz VOOFAADQSKKCMD-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1F ZINC000086803679 491062149 /nfs/dbraw/zinc/06/21/49/491062149.db2.gz JHEVPEPFOBDYHK-NSHDSACASA-N 0 1 243.253 2.260 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000051732665 491068569 /nfs/dbraw/zinc/06/85/69/491068569.db2.gz NCVVDNLUYQXRSE-YRGRVCCFSA-N 0 1 246.354 2.333 20 0 BEADMN c1cc(CNCCc2ccccc2)no1 ZINC000088052454 491094045 /nfs/dbraw/zinc/09/40/45/491094045.db2.gz JYONXCNTUDWQLK-UHFFFAOYSA-N 0 1 202.257 2.007 20 0 BEADMN CC1(C)CCCC[C@H]1NCc1nccc(N)n1 ZINC000120005005 491129474 /nfs/dbraw/zinc/12/94/74/491129474.db2.gz KHSCNZFJYCRNKY-SNVBAGLBSA-N 0 1 234.347 2.117 20 0 BEADMN Cc1csc(CN(CCO)CC(C)(C)C)n1 ZINC000081671366 491135950 /nfs/dbraw/zinc/13/59/50/491135950.db2.gz ZPNHVZJDXRUZGU-UHFFFAOYSA-N 0 1 242.388 2.292 20 0 BEADMN CCn1ccnc1CN[C@@H]1CCC(F)(F)C1 ZINC000309341963 491148060 /nfs/dbraw/zinc/14/80/60/491148060.db2.gz LHGNFVVVJXRBSM-SECBINFHSA-N 0 1 229.274 2.180 20 0 BEADMN CCc1ncc(C[N@@H+](C)[C@@H](CC)C(=O)[O-])s1 ZINC000309535945 491150427 /nfs/dbraw/zinc/15/04/27/491150427.db2.gz CSCPZECYHDIURS-VIFPVBQESA-N 0 1 242.344 2.001 20 0 BEADMN CCc1ncc(C[N@H+](C)[C@@H](CC)C(=O)[O-])s1 ZINC000309535945 491150428 /nfs/dbraw/zinc/15/04/28/491150428.db2.gz CSCPZECYHDIURS-VIFPVBQESA-N 0 1 242.344 2.001 20 0 BEADMN Cc1csc(CN[C@@H](C)[C@H]2CCCCO2)n1 ZINC000309772891 491156168 /nfs/dbraw/zinc/15/61/68/491156168.db2.gz KYNOCEATPCPXAO-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1nc([C@H](C)NCC[C@H](C)O)c(C)s1 ZINC000082993211 491158261 /nfs/dbraw/zinc/15/82/61/491158261.db2.gz KVJYYNGQIQYIIF-YUMQZZPRSA-N 0 1 228.361 2.181 20 0 BEADMN CC[N@@H+](Cc1ccc(O)cc1)[C@@H]1CCCOC1 ZINC000309982924 491159310 /nfs/dbraw/zinc/15/93/10/491159310.db2.gz FCQLCCXHLJULCH-CYBMUJFWSA-N 0 1 235.327 2.393 20 0 BEADMN CC[N@@H+](Cc1ccc(O)cc1)[C@H]1CCCOC1 ZINC000309982925 491159338 /nfs/dbraw/zinc/15/93/38/491159338.db2.gz FCQLCCXHLJULCH-ZDUSSCGKSA-N 0 1 235.327 2.393 20 0 BEADMN C[C@H]1CC[C@H](N(C)CN2CC(C)(C)OC2=O)C1 ZINC000496849519 533750923 /nfs/dbraw/zinc/75/09/23/533750923.db2.gz CLLOFFKRYHDQJE-QWRGUYRKSA-N 0 1 240.347 2.295 20 0 BEADMN CC[C@@H]1COCCN1C[C@H]1CCC(C)(C)O1 ZINC000248574333 535834994 /nfs/dbraw/zinc/83/49/94/535834994.db2.gz OFSNKRCJZIHPLM-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN CCOCCN(CC)Cc1cnc(F)c(C)c1 ZINC000891819563 582726735 /nfs/dbraw/zinc/72/67/35/582726735.db2.gz YIVBOPVWXPBKFK-UHFFFAOYSA-N 0 1 240.322 2.388 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000334399310 536046546 /nfs/dbraw/zinc/04/65/46/536046546.db2.gz DTUJTPCGNSILJK-HIFRSBDPSA-N 0 1 246.354 2.335 20 0 BEADMN CN(C(=O)[C@@](C)(N)c1ccccc1)[C@@H]1CC1(C)C ZINC000335563299 536061600 /nfs/dbraw/zinc/06/16/00/536061600.db2.gz NURQVWBFUIIVTL-DOMZBBRYSA-N 0 1 246.354 2.117 20 0 BEADMN CCc1ccc(CN2CCOC[C@@H](C)C2)o1 ZINC000334410437 536177289 /nfs/dbraw/zinc/17/72/89/536177289.db2.gz MPHLAJCILTXVCJ-NSHDSACASA-N 0 1 223.316 2.310 20 0 BEADMN Cc1nc([C@H](C)NC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000493287341 534593095 /nfs/dbraw/zinc/59/30/95/534593095.db2.gz MCQBAIUNCPVUKM-FUOZMLNRSA-N 0 1 248.330 2.037 20 0 BEADMN CCC(C)(C)CC(=O)NCc1cc(N)ccn1 ZINC001332106328 974956499 /nfs/dbraw/zinc/95/64/99/974956499.db2.gz QKLTUGYMZSBKCK-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN CCCS(=O)(=O)CCN1[C@@H](C)CCC[C@@H]1C ZINC000108918361 582867223 /nfs/dbraw/zinc/86/72/23/582867223.db2.gz WTAQTGSWJIGRGO-RYUDHWBXSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C/C1CCCC1 ZINC000493051966 534854558 /nfs/dbraw/zinc/85/45/58/534854558.db2.gz PISFTLIQWZDICY-VOTSOKGWSA-N 0 1 233.315 2.081 20 0 BEADMN C/C=C/C=C\C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000493718979 527594907 /nfs/dbraw/zinc/59/49/07/527594907.db2.gz GXMKNPOQUHNOLF-DTIHGJCLSA-N 0 1 236.359 2.061 20 0 BEADMN CCOC=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000492793483 528542475 /nfs/dbraw/zinc/54/24/75/528542475.db2.gz MTZCAXHJTLMVBA-FPLPWBNLSA-N 0 1 231.255 2.052 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1ccncn1 ZINC000308760264 528592970 /nfs/dbraw/zinc/59/29/70/528592970.db2.gz XTDAJTLEIFZMCJ-NSHDSACASA-N 0 1 237.347 2.332 20 0 BEADMN CCN1CCN(C(=O)/C=C\C(C)(C)C)[C@@H](C)C1 ZINC000492806827 529109294 /nfs/dbraw/zinc/10/92/94/529109294.db2.gz XOVUIPFLNIDOTD-KRZKBDHCSA-N 0 1 238.375 2.141 20 0 BEADMN CCN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175394912 529119207 /nfs/dbraw/zinc/11/92/07/529119207.db2.gz SGCPTDWKRPHMOF-UHFFFAOYSA-N 0 1 245.326 2.282 20 0 BEADMN CC(C)N1C(=O)CN(CC[C@@H](C)F)CC1(C)C ZINC000352001934 535127936 /nfs/dbraw/zinc/12/79/36/535127936.db2.gz DLROSNFFAFYVKQ-LLVKDONJSA-N 0 1 244.354 2.066 20 0 BEADMN CC1=C(C(=O)N2CCN3CCCC[C@H]3C2)CCC1 ZINC000335700319 535218002 /nfs/dbraw/zinc/21/80/02/535218002.db2.gz UDEANAJJMFJIAA-ZDUSSCGKSA-N 0 1 248.370 2.184 20 0 BEADMN CCC1(C(=O)N2CCN[C@@H](C)C2)CCCCC1 ZINC000335395718 535232390 /nfs/dbraw/zinc/23/23/90/535232390.db2.gz OSZBKTANEFWROL-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC(F)(F)C2)n[nH]1 ZINC000335953149 535347692 /nfs/dbraw/zinc/34/76/92/535347692.db2.gz XDLGIFWKYLKUDE-UHFFFAOYSA-N 0 1 243.257 2.014 20 0 BEADMN CCN(CC)C(=O)c1cc2[nH]cnc2cc1F ZINC000335670152 535473052 /nfs/dbraw/zinc/47/30/52/535473052.db2.gz HHEYFSNODVGZGR-UHFFFAOYSA-N 0 1 235.262 2.184 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1F ZINC000170916007 535547890 /nfs/dbraw/zinc/54/78/90/535547890.db2.gz HODXMMSOKUALJU-SNVBAGLBSA-N 0 1 238.306 2.495 20 0 BEADMN CC[C@@H]1CCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335339282 535820323 /nfs/dbraw/zinc/82/03/23/535820323.db2.gz WWIKUFUZGFWFEM-GHMZBOCLSA-N 0 1 247.342 2.231 20 0 BEADMN CC[C@H](NCCCC(=O)OC)c1nccs1 ZINC000070732930 535900354 /nfs/dbraw/zinc/90/03/54/535900354.db2.gz HUWLTGPCMUGPCE-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN CCc1ocnc1-c1nc(C2(N)CCCC2)no1 ZINC000261875865 535931106 /nfs/dbraw/zinc/93/11/06/535931106.db2.gz VUIUFLSAEYPPOF-UHFFFAOYSA-N 0 1 248.286 2.015 20 0 BEADMN CC[C@@](C)(CCO)NCc1ncc(Cl)s1 ZINC000225367116 535978297 /nfs/dbraw/zinc/97/82/97/535978297.db2.gz UBVHBZHIFTXHND-JTQLQIEISA-N 0 1 248.779 2.437 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000334399322 536045536 /nfs/dbraw/zinc/04/55/36/536045536.db2.gz DTUJTPCGNSILJK-ZFWWWQNUSA-N 0 1 246.354 2.335 20 0 BEADMN CCn1cc(CN2CC3(C2)CCCC3)cn1 ZINC000336084401 536050208 /nfs/dbraw/zinc/05/02/08/536050208.db2.gz QOARJLIHDAVMHU-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CC)CC1 ZINC000251709462 536099245 /nfs/dbraw/zinc/09/92/45/536099245.db2.gz JKPMTQYEBOUTLS-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CN(CCC1CCCCC1)C(=O)c1cnc[nH]1 ZINC000263708499 536322336 /nfs/dbraw/zinc/32/23/36/536322336.db2.gz PZEGVEYGJAEQGQ-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000335974450 536367637 /nfs/dbraw/zinc/36/76/37/536367637.db2.gz WWGCTXZOKNJROT-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CC[C@H](C)F ZINC000351810760 536523266 /nfs/dbraw/zinc/52/32/66/536523266.db2.gz ARDSIONUAJXOHO-VWYCJHECSA-N 0 1 231.311 2.008 20 0 BEADMN COCc1ccc(CN(C)[C@@H]2CCCOC2)o1 ZINC000348715552 536765614 /nfs/dbraw/zinc/76/56/14/536765614.db2.gz QFXQGTUUJNKPSK-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN c1ncc(CN2CCS[C@H]3CCCC[C@H]32)cn1 ZINC000245765135 537960237 /nfs/dbraw/zinc/96/02/37/537960237.db2.gz QOXGOFCNUFCHOP-OLZOCXBDSA-N 0 1 249.383 2.337 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153682742 566265895 /nfs/dbraw/zinc/26/58/95/566265895.db2.gz RFDHRPKWJXICGF-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153682848 566266404 /nfs/dbraw/zinc/26/64/04/566266404.db2.gz RFDHRPKWJXICGF-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C[C@@H](Nc1cc(C(C)(C)C)ncn1)c1nnc[nH]1 ZINC000385945335 566494990 /nfs/dbraw/zinc/49/49/90/566494990.db2.gz MQODSLMVWUSSFM-MRVPVSSYSA-N 0 1 246.318 2.065 20 0 BEADMN CCOc1ccc(CNCCOCC2CC2)o1 ZINC000892947174 583016134 /nfs/dbraw/zinc/01/61/34/583016134.db2.gz YECOXAQHTAFAOV-UHFFFAOYSA-N 0 1 239.315 2.195 20 0 BEADMN COCCCC1(CNCc2cocn2)CCC1 ZINC000892977540 583024979 /nfs/dbraw/zinc/02/49/79/583024979.db2.gz RHCSZFGEZKHRGP-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1c(C)cccc1F ZINC000893086833 583046546 /nfs/dbraw/zinc/04/65/46/583046546.db2.gz SBMQSHYBNLECBG-SNVBAGLBSA-N 0 1 239.290 2.175 20 0 BEADMN C1=CCC(NCc2nnc(C3CC3)s2)C1 ZINC000893132813 583054755 /nfs/dbraw/zinc/05/47/55/583054755.db2.gz UODQPHVEINIISE-UHFFFAOYSA-N 0 1 221.329 2.224 20 0 BEADMN CSc1ccc(CN2CCC(CO)CC2)o1 ZINC000893922003 583248169 /nfs/dbraw/zinc/24/81/69/583248169.db2.gz XFQDVAWINAMSMH-UHFFFAOYSA-N 0 1 241.356 2.206 20 0 BEADMN COc1ccc(CNC2CC(F)(F)C2)o1 ZINC000894036327 583279321 /nfs/dbraw/zinc/27/93/21/583279321.db2.gz FSLYAIISDABUDB-UHFFFAOYSA-N 0 1 217.215 2.176 20 0 BEADMN CCn1nccc1CNCc1ccc(F)nc1C ZINC000853093884 588719289 /nfs/dbraw/zinc/71/92/89/588719289.db2.gz MIZIUSHIVNJRNS-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN Cc1ccc(F)c(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853217743 588725618 /nfs/dbraw/zinc/72/56/18/588725618.db2.gz DKTXDRCIXOXCCU-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000853221114 588726005 /nfs/dbraw/zinc/72/60/05/588726005.db2.gz UGYCTJOXBYULTM-BBBLOLIVSA-N 0 1 237.303 2.235 20 0 BEADMN CCc1cc(C)c(C(=O)O[C@@H](C)c2nnc[nH]2)o1 ZINC000853220741 588726135 /nfs/dbraw/zinc/72/61/35/588726135.db2.gz NSFQZASPOVXRCK-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN C/C(=C/C(=O)O[C@@H](C)c1nnc[nH]1)C(C)(C)C ZINC000853220995 588726158 /nfs/dbraw/zinc/72/61/58/588726158.db2.gz PVUYCXFDMJCUMF-XZLDQRQTSA-N 0 1 237.303 2.401 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222643 588726443 /nfs/dbraw/zinc/72/64/43/588726443.db2.gz PVQSPKWZUXPLLR-DJLDLDEBSA-N 0 1 225.292 2.091 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CCC(C)(C)C1)c1nnc[nH]1 ZINC000853222391 588726726 /nfs/dbraw/zinc/72/67/26/588726726.db2.gz LMWFJCIWHLZARD-BDAKNGLRSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1c(F)cccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224011 588726826 /nfs/dbraw/zinc/72/68/26/588726826.db2.gz AMEPGRGJGMPYLD-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)CC1(C)CCCC1)c1nnc[nH]1 ZINC000853223516 588726901 /nfs/dbraw/zinc/72/69/01/588726901.db2.gz KOKGOKBMAGLZKD-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)C[C@H]1CCC[C@H]1C)c1nnc[nH]1 ZINC000853223977 588726969 /nfs/dbraw/zinc/72/69/69/588726969.db2.gz BTRVMZARHDNDTN-KXUCPTDWSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](OC(=O)/C=C/C1CCCC1)c1nnc[nH]1 ZINC000853226261 588727418 /nfs/dbraw/zinc/72/74/18/588727418.db2.gz VQJXLUDGZSPELO-XCODYQFDSA-N 0 1 235.287 2.155 20 0 BEADMN CC(=CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccco1 ZINC000853226881 588727591 /nfs/dbraw/zinc/72/75/91/588727591.db2.gz JDRGDYGBOJCHEZ-ORZBULNSSA-N 0 1 247.254 2.105 20 0 BEADMN Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111255491 588738058 /nfs/dbraw/zinc/73/80/58/588738058.db2.gz MXWDPCRIXLACII-GXTWGEPZSA-N 0 1 247.338 2.456 20 0 BEADMN CC(C)[C@@H]1CCN(CN(C)CC(C)(C)C)C1=O ZINC000853496352 588746152 /nfs/dbraw/zinc/74/61/52/588746152.db2.gz FWMCSZVWTBTNTH-LBPRGKRZSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)[C@H]1CCN(CN(C(C)C)C2CC2)C1=O ZINC000853489565 588745719 /nfs/dbraw/zinc/74/57/19/588745719.db2.gz SNCBBDYHFVHGQK-CYBMUJFWSA-N 0 1 238.375 2.321 20 0 BEADMN CC(C)CCN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853491333 588745925 /nfs/dbraw/zinc/74/59/25/588745925.db2.gz NMHHJWMAXSHSCY-ZDUSSCGKSA-N 0 1 240.391 2.426 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1CCSC1=S ZINC000853626701 588750715 /nfs/dbraw/zinc/75/07/15/588750715.db2.gz DYENLMNQHLHLPQ-VIFPVBQESA-N 0 1 244.429 2.256 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1CCC(C)(C)C1=O ZINC000853627357 588750728 /nfs/dbraw/zinc/75/07/28/588750728.db2.gz AQNDDKQUEUKYMI-NSHDSACASA-N 0 1 238.375 2.180 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1CCSC1=S ZINC000853626700 588750735 /nfs/dbraw/zinc/75/07/35/588750735.db2.gz DYENLMNQHLHLPQ-SECBINFHSA-N 0 1 244.429 2.256 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1CCSC1=O ZINC000853627053 588750880 /nfs/dbraw/zinc/75/08/80/588750880.db2.gz MVEYCZDTCNVSIF-SECBINFHSA-N 0 1 228.361 2.091 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1CC(C)(C)CC1=O ZINC000853629041 588751186 /nfs/dbraw/zinc/75/11/86/588751186.db2.gz ZMXUPEPYQUOKQE-LLVKDONJSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1cc(NC(=O)[C@@H]2CCCCN2C)ccc1N ZINC000854009790 588771441 /nfs/dbraw/zinc/77/14/41/588771441.db2.gz GAHNYDAWMRONPV-ZDUSSCGKSA-N 0 1 247.342 2.000 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccc(C)nc2)no1 ZINC000854137187 588776463 /nfs/dbraw/zinc/77/64/63/588776463.db2.gz PNIHEYLQJNWZIS-SNVBAGLBSA-N 0 1 232.287 2.111 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccc(O)c(C)c2)no1 ZINC000854153060 588776978 /nfs/dbraw/zinc/77/69/78/588776978.db2.gz DWFUZVHYQJIEOV-SNVBAGLBSA-N 0 1 247.298 2.421 20 0 BEADMN CC[C@@H](NC)c1nc(-c2c(C)noc2C)no1 ZINC000854159621 588777149 /nfs/dbraw/zinc/77/71/49/588777149.db2.gz AWYHAQHBGAJYGH-MRVPVSSYSA-N 0 1 236.275 2.012 20 0 BEADMN CCCC[C@](C)(F)C(=O)N1CCCN(C)CC1 ZINC000854179244 588778287 /nfs/dbraw/zinc/77/82/87/588778287.db2.gz VIRXJXRAQMHSDB-ZDUSSCGKSA-N 0 1 244.354 2.069 20 0 BEADMN CCN(Cc1ncc(Cl)n1C)CC1CC1 ZINC000112210637 588785977 /nfs/dbraw/zinc/78/59/77/588785977.db2.gz VCUUGYDVKLHJOU-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN O=C(NOc1ccccc1)C1(CCF)CC1 ZINC000854535510 588790986 /nfs/dbraw/zinc/79/09/86/588790986.db2.gz AFYGTBMNHWMQLJ-UHFFFAOYSA-N 0 1 223.247 2.236 20 0 BEADMN CCCCCc1cc(C(=O)N2CC3(CC3)C2)n[nH]1 ZINC000854686575 588801460 /nfs/dbraw/zinc/80/14/60/588801460.db2.gz YUTMXKBGELKRGN-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN CCC(F)(F)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855163376 588824931 /nfs/dbraw/zinc/82/49/31/588824931.db2.gz XCNSDMFJPWASKF-SECBINFHSA-N 0 1 248.317 2.021 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN2CCC(C)CC2)C1 ZINC000113237917 588827546 /nfs/dbraw/zinc/82/75/46/588827546.db2.gz WGHXNKBSRVYELW-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN Fc1cc(CN2C3CCC2CC3)ccn1 ZINC000859071864 582481125 /nfs/dbraw/zinc/48/11/25/582481125.db2.gz REWLNQTZJDZFFA-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CCCN(CC)Cc1ccnc(OC)c1F ZINC000891401046 582677879 /nfs/dbraw/zinc/67/78/79/582677879.db2.gz YMJIMXRLISDGHM-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN CC(C)C[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891577830 582698097 /nfs/dbraw/zinc/69/80/97/582698097.db2.gz GTZDHSZCKWMLPO-UHFFFAOYSA-N 0 1 221.348 2.385 20 0 BEADMN CCCN(C)Cc1ccnn1C1CCC1 ZINC000891579247 582699035 /nfs/dbraw/zinc/69/90/35/582699035.db2.gz VTRMCJVIYKMPBA-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN COc1nccc(CN2CC[C@H](C)C2)c1F ZINC000891797915 582723316 /nfs/dbraw/zinc/72/33/16/582723316.db2.gz LXWJRMVPYIMTFW-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN Cc1nn(C)c(CN2C[C@H](C)[C@@H](C)C2)c1Cl ZINC000892068128 582785411 /nfs/dbraw/zinc/78/54/11/582785411.db2.gz FTVIROVTCWMENX-IUCAKERBSA-N 0 1 241.766 2.470 20 0 BEADMN CC(C)CCN(C)CN1C(=O)CC12CCC2 ZINC000743358802 582841786 /nfs/dbraw/zinc/84/17/86/582841786.db2.gz UOAYZXVTAIBMDJ-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@H]1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000725776836 582848387 /nfs/dbraw/zinc/84/83/87/582848387.db2.gz BLCFFWWIGSTASL-GXTWGEPZSA-N 0 1 244.338 2.259 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)[C@@H](C)C2CC2)c1 ZINC000782184366 582870606 /nfs/dbraw/zinc/87/06/06/582870606.db2.gz RPGCCTYVBFHPTN-NSHDSACASA-N 0 1 247.342 2.059 20 0 BEADMN Cc1noc(C)c1[C@H](C)Nc1nc(C)cc(N)n1 ZINC000892528321 582906739 /nfs/dbraw/zinc/90/67/39/582906739.db2.gz SXEGBMRWVSWSTM-ZETCQYMHSA-N 0 1 247.302 2.145 20 0 BEADMN Cc1oncc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000782488227 582909458 /nfs/dbraw/zinc/90/94/58/582909458.db2.gz ACTWLTXKOFGMLN-CYBMUJFWSA-N 0 1 246.314 2.017 20 0 BEADMN CCc1nocc1CNc1nccn1C1CC1 ZINC000840886522 582941709 /nfs/dbraw/zinc/94/17/09/582941709.db2.gz FPYDJJXTGWNWTH-UHFFFAOYSA-N 0 1 232.287 2.381 20 0 BEADMN C[C@H](CO)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000678044417 582958193 /nfs/dbraw/zinc/95/81/93/582958193.db2.gz PLKCXROXAIBLPY-YDHLFZDLSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)[C@H](C(=O)OCC[C@H]1CC1(F)F)N(C)C ZINC000851384173 582958387 /nfs/dbraw/zinc/95/83/87/582958387.db2.gz DFMORAGTLYMGKG-VHSXEESVSA-N 0 1 249.301 2.161 20 0 BEADMN CN(Cc1cccc(F)n1)C[C@@H]1CCCCO1 ZINC000851734032 582965190 /nfs/dbraw/zinc/96/51/90/582965190.db2.gz MUVBQJYIWYHDSS-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n[nH]1 ZINC000840580544 582973046 /nfs/dbraw/zinc/97/30/46/582973046.db2.gz NIOAPJCJJOEILJ-VFRUTBLMSA-N 0 1 249.314 2.154 20 0 BEADMN CC(C(=O)O[C@@H](C)c1n[nH]c(C)n1)=C1CCC1 ZINC000840580639 582973946 /nfs/dbraw/zinc/97/39/46/582973946.db2.gz HSYXEIQGXBQAAR-QMMMGPOBSA-N 0 1 235.287 2.218 20 0 BEADMN CCCSC[C@@H](C)NCc1cocn1 ZINC000892977354 583024505 /nfs/dbraw/zinc/02/45/05/583024505.db2.gz PIBKPMIYLGJFGH-SECBINFHSA-N 0 1 214.334 2.296 20 0 BEADMN CC(C)[C@H](N)c1noc(C2CC3(CC3)C2)n1 ZINC000854133252 583075499 /nfs/dbraw/zinc/07/54/99/583075499.db2.gz WQFMBXHPZOMWEH-VIFPVBQESA-N 0 1 221.304 2.383 20 0 BEADMN CCc1ccc(CC(=O)NOCC2CCC2)nc1 ZINC000856345505 588868657 /nfs/dbraw/zinc/86/86/57/588868657.db2.gz ZRQGVHLDWUAOGT-UHFFFAOYSA-N 0 1 248.326 2.034 20 0 BEADMN COc1ccc(CN2CCCSCC2)o1 ZINC000893421860 583140904 /nfs/dbraw/zinc/14/09/04/583140904.db2.gz VVSDPZAFNLYOHI-UHFFFAOYSA-N 0 1 227.329 2.227 20 0 BEADMN CCOCCN(C)Cc1cccc2c1OCC2 ZINC000893426123 583141227 /nfs/dbraw/zinc/14/12/27/583141227.db2.gz BDZSPOPCCBGDDJ-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN CCOCCN(C)Cc1cnn(C2CCC2)c1 ZINC000893426628 583141406 /nfs/dbraw/zinc/14/14/06/583141406.db2.gz HAJPGTMPGFKGMU-UHFFFAOYSA-N 0 1 237.347 2.076 20 0 BEADMN CC(C)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010463 583175852 /nfs/dbraw/zinc/17/58/52/583175852.db2.gz XOCQFKTWWGJGDK-UHFFFAOYSA-N 0 1 219.284 2.356 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)nc2Cl)[C@H]1C ZINC000857026614 588882245 /nfs/dbraw/zinc/88/22/45/588882245.db2.gz SVQNHSSQFDBLRI-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN CCc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000223826637 583182075 /nfs/dbraw/zinc/18/20/75/583182075.db2.gz LHUIVCMLFKSXRY-RISCZKNCSA-N 0 1 247.338 2.402 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1nc(C)c(C)s1 ZINC000893660602 583189718 /nfs/dbraw/zinc/18/97/18/583189718.db2.gz IDIWXZZNZGWKLR-ZWNMCFTASA-N 0 1 240.372 2.177 20 0 BEADMN CC1=CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000893665047 583191305 /nfs/dbraw/zinc/19/13/05/583191305.db2.gz YXDCEBHTQICJFK-UHFFFAOYSA-N 0 1 249.705 2.163 20 0 BEADMN COc1cncc(CN2CC(CC3CC3)C2)c1 ZINC000857066770 588885628 /nfs/dbraw/zinc/88/56/28/588885628.db2.gz VEJVDKWDQHZIAW-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN CCN1CCN(Cc2ccc(SC)o2)CC1 ZINC000893870669 583235702 /nfs/dbraw/zinc/23/57/02/583235702.db2.gz FCALRPOPYWNUQB-UHFFFAOYSA-N 0 1 240.372 2.139 20 0 BEADMN CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC000893873560 583238935 /nfs/dbraw/zinc/23/89/35/583238935.db2.gz QTHGOHGNLXTVON-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC000893873560 583238937 /nfs/dbraw/zinc/23/89/37/583238937.db2.gz QTHGOHGNLXTVON-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN CSc1ccc(CN(C)[C@H]2CCOC2)o1 ZINC000894002351 583272625 /nfs/dbraw/zinc/27/26/25/583272625.db2.gz QJNWOSZMAHTXIG-VIFPVBQESA-N 0 1 227.329 2.222 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(SC)o2)C1 ZINC000894033605 583277133 /nfs/dbraw/zinc/27/71/33/583277133.db2.gz KASWZNXIPPBBIE-SECBINFHSA-N 0 1 227.329 2.222 20 0 BEADMN Cc1ncoc1CN1CCS[C@@H](C)[C@H]1C ZINC000894034290 583278409 /nfs/dbraw/zinc/27/84/09/583278409.db2.gz OWBKAOIPUPJKPT-ZJUUUORDSA-N 0 1 226.345 2.309 20 0 BEADMN CSc1ccc(CN2CCC[C@](C)(O)C2)o1 ZINC000894041277 583285162 /nfs/dbraw/zinc/28/51/62/583285162.db2.gz BEOATZGTGVHDAJ-LBPRGKRZSA-N 0 1 241.356 2.348 20 0 BEADMN Cc1ncoc1CN1CC[C@@H](OCC(C)C)C1 ZINC000894094830 583299959 /nfs/dbraw/zinc/29/99/59/583299959.db2.gz NHMIBCMBTBWFBU-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN CCN(CC)CC(=O)Nc1cncc(C(C)C)c1 ZINC000888241168 583314980 /nfs/dbraw/zinc/31/49/80/583314980.db2.gz VVUZTGPTKLINKR-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cn2ccnc2s1 ZINC000894140542 583317269 /nfs/dbraw/zinc/31/72/69/583317269.db2.gz RZGLZGFROGXQQT-IUCAKERBSA-N 0 1 221.329 2.379 20 0 BEADMN Cc1ncoc1CNCCOc1ccc(C)cc1 ZINC000894159648 583320560 /nfs/dbraw/zinc/32/05/60/583320560.db2.gz GFIXPLCXIPQEMY-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN c1cnc2cc(CN3CC4(CC4)C3)ccc2n1 ZINC000877555892 583327308 /nfs/dbraw/zinc/32/73/08/583327308.db2.gz GGSOVMGZGRTMNT-UHFFFAOYSA-N 0 1 225.295 2.226 20 0 BEADMN CO[C@@H](CNCc1ocnc1C)c1ccccc1 ZINC000894198662 583336289 /nfs/dbraw/zinc/33/62/89/583336289.db2.gz DZSMIZAROREARA-AWEZNQCLSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1ncoc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000894199245 583336566 /nfs/dbraw/zinc/33/65/66/583336566.db2.gz KTCYJTLAPZATBL-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN CO[C@H](CNCc1ocnc1C)c1ccccc1 ZINC000894198663 583336786 /nfs/dbraw/zinc/33/67/86/583336786.db2.gz DZSMIZAROREARA-CQSZACIVSA-N 0 1 246.310 2.460 20 0 BEADMN CN(C)c1ccc(F)cc1CNC1CSC1 ZINC000877634909 583340851 /nfs/dbraw/zinc/34/08/51/583340851.db2.gz ZOEQOHRBAQLQJW-UHFFFAOYSA-N 0 1 240.347 2.097 20 0 BEADMN Cc1cc(CN2CC[C@H]3CSC[C@H]3C2)no1 ZINC000877740108 583344414 /nfs/dbraw/zinc/34/44/14/583344414.db2.gz UYAWLLTZSULTPZ-WDEREUQCSA-N 0 1 238.356 2.168 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nocc1C ZINC000878120493 583361738 /nfs/dbraw/zinc/36/17/38/583361738.db2.gz LXBLADPSQPWNMH-QWHCGFSZSA-N 0 1 238.331 2.108 20 0 BEADMN CC(C)Cc1ccc(CNCCF)cn1 ZINC000894220581 583381939 /nfs/dbraw/zinc/38/19/39/583381939.db2.gz OLIYIRMYDHSFQE-UHFFFAOYSA-N 0 1 210.296 2.339 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NCc1c[nH]cn1)CC2 ZINC000894240464 583387461 /nfs/dbraw/zinc/38/74/61/583387461.db2.gz SUJHPECIYYKIOQ-ZDUSSCGKSA-N 0 1 231.274 2.326 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H](C3CCCC3)C2)n1 ZINC000894244870 583388842 /nfs/dbraw/zinc/38/88/42/583388842.db2.gz WVRWOIDYBQAVDR-LBPRGKRZSA-N 0 1 246.358 2.384 20 0 BEADMN C=C/C=C/CCN1CC2CC1(C(=O)OCC)C2 ZINC000878992888 583416089 /nfs/dbraw/zinc/41/60/89/583416089.db2.gz FETOXALMVCUTJV-AATRIKPKSA-N 0 1 235.327 2.146 20 0 BEADMN CCOc1ccc(CNC2(COC)CCC2)o1 ZINC000894305780 583417270 /nfs/dbraw/zinc/41/72/70/583417270.db2.gz PSKBXEQIDLIDKB-UHFFFAOYSA-N 0 1 239.315 2.337 20 0 BEADMN O=C1CCN1CN1CCCC2(CCCCC2)C1 ZINC000857232903 588898024 /nfs/dbraw/zinc/89/80/24/588898024.db2.gz PTMFZXSWVYWXQJ-UHFFFAOYSA-N 0 1 236.359 2.223 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2cccnc2)c1C ZINC000894423721 583455418 /nfs/dbraw/zinc/45/54/18/583455418.db2.gz YUXWGKGOZVJAAT-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnn(C2CCC2)c1 ZINC000894435178 583458554 /nfs/dbraw/zinc/45/85/54/583458554.db2.gz LUEBQKJOWRNQGQ-NSHDSACASA-N 0 1 237.347 2.075 20 0 BEADMN CCCONC(=O)C1(COC)CCCCC1 ZINC000857294553 588904661 /nfs/dbraw/zinc/90/46/61/588904661.db2.gz IJZDUFAFOSWMPB-UHFFFAOYSA-N 0 1 229.320 2.041 20 0 BEADMN Cc1coc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000894486838 583472035 /nfs/dbraw/zinc/47/20/35/583472035.db2.gz DTEHTJSZFFDDIP-NEPJUHHUSA-N 0 1 222.332 2.112 20 0 BEADMN Cc1coc(CN2CCC(O)(C(F)F)CC2)c1 ZINC000894499131 583473088 /nfs/dbraw/zinc/47/30/88/583473088.db2.gz FJLRAFFEIAQHIO-UHFFFAOYSA-N 0 1 245.269 2.180 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1C ZINC000894532706 583478841 /nfs/dbraw/zinc/47/88/41/583478841.db2.gz DVQZDDLCJOAQBG-AXTRIDKLSA-N 0 1 237.347 2.024 20 0 BEADMN CCn1cc(CN2CC(C3CC3)C2)c(C)n1 ZINC000894564514 583484361 /nfs/dbraw/zinc/48/43/61/583484361.db2.gz DIQAVGZRDFPORY-UHFFFAOYSA-N 0 1 219.332 2.053 20 0 BEADMN Cc1n[nH]c(CN2CC(C(C)C)C2)c1C ZINC000894597028 583492759 /nfs/dbraw/zinc/49/27/59/583492759.db2.gz HZVBHIFIPGMLDR-UHFFFAOYSA-N 0 1 207.321 2.114 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1C ZINC000894613328 583494383 /nfs/dbraw/zinc/49/43/83/583494383.db2.gz WXSFWWLDDWPZIN-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@H](C)[C@@H]1C ZINC000894627756 583495507 /nfs/dbraw/zinc/49/55/07/583495507.db2.gz JXEMXPWDFJEIJA-UWVGGRQHSA-N 0 1 208.280 2.369 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H](C)[C@H]1C ZINC000894627755 583495554 /nfs/dbraw/zinc/49/55/54/583495554.db2.gz JXEMXPWDFJEIJA-NXEZZACHSA-N 0 1 208.280 2.369 20 0 BEADMN COCCOc1ccc(CN2C[C@@H](C)[C@@H]2C)o1 ZINC000894628166 583496811 /nfs/dbraw/zinc/49/68/11/583496811.db2.gz NQYGJWPDTSXTAJ-MNOVXSKESA-N 0 1 239.315 2.145 20 0 BEADMN C[C@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@H]1C ZINC000894628526 583496928 /nfs/dbraw/zinc/49/69/28/583496928.db2.gz OSRDBOUTCKPJCK-IUCAKERBSA-N 0 1 232.283 2.374 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cccc2[nH]c(=O)oc21 ZINC000894628524 583497427 /nfs/dbraw/zinc/49/74/27/583497427.db2.gz OSRDBOUTCKPJCK-DTWKUNHWSA-N 0 1 232.283 2.374 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000894629203 583497504 /nfs/dbraw/zinc/49/75/04/583497504.db2.gz VXOIBJBSRGVHMC-WDEREUQCSA-N 0 1 219.332 2.448 20 0 BEADMN FCC(CF)NC1C[C@H]2CCC[C@@H]2C1 ZINC000894668748 583503097 /nfs/dbraw/zinc/50/30/97/583503097.db2.gz WFOZKZMAZNREOD-RKDXNWHRSA-N 0 1 203.276 2.462 20 0 BEADMN CCOc1ccc(CN(C)CC(C)(C)CO)o1 ZINC000894687771 583506992 /nfs/dbraw/zinc/50/69/92/583506992.db2.gz IDDWGEMYGBAESL-UHFFFAOYSA-N 0 1 241.331 2.129 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C2CC2)nc1 ZINC000894691424 583507600 /nfs/dbraw/zinc/50/76/00/583507600.db2.gz ZDTOVSRJYZSAIY-CYBMUJFWSA-N 0 1 218.300 2.075 20 0 BEADMN CC(C)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)cn1 ZINC000894754108 583516023 /nfs/dbraw/zinc/51/60/23/583516023.db2.gz RIIOLHFCGRRUDC-IUODEOHRSA-N 0 1 248.370 2.235 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCC23CCC3)[nH]1 ZINC000894774693 583517774 /nfs/dbraw/zinc/51/77/74/583517774.db2.gz VYAOBLSVOZHWNT-WCBMZHEXSA-N 0 1 220.320 2.096 20 0 BEADMN CSc1ccc(CN(C)C[C@@H](O)C2CC2)o1 ZINC000894777935 583519331 /nfs/dbraw/zinc/51/93/31/583519331.db2.gz XCGDVPZYAOCTFG-LLVKDONJSA-N 0 1 241.356 2.204 20 0 BEADMN Cc1ccoc1CNCCO[C@@H]1CCCCO1 ZINC000894800622 583522120 /nfs/dbraw/zinc/52/21/20/583522120.db2.gz UPICMYKJFUPCMZ-CYBMUJFWSA-N 0 1 239.315 2.221 20 0 BEADMN CCc1onc(C)c1CN1CC(CC)C1 ZINC000894813751 583523354 /nfs/dbraw/zinc/52/33/54/583523354.db2.gz TYITTYIBDPYKDY-UHFFFAOYSA-N 0 1 208.305 2.387 20 0 BEADMN CCOc1cncc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000894861210 583534047 /nfs/dbraw/zinc/53/40/47/583534047.db2.gz BJSGXRFQWPCBQN-QWRGUYRKSA-N 0 1 220.316 2.321 20 0 BEADMN COCCc1ncc(CN2C[C@@H](C)[C@H]2C)s1 ZINC000894862194 583535700 /nfs/dbraw/zinc/53/57/00/583535700.db2.gz SZXTVBRIKQVOHY-NXEZZACHSA-N 0 1 240.372 2.172 20 0 BEADMN C[C@H]1CN(Cc2cc3c(cc[nH]c3=O)o2)[C@H]1C ZINC000894861479 583536013 /nfs/dbraw/zinc/53/60/13/583536013.db2.gz IGIZZCVFTFPZEB-IUCAKERBSA-N 0 1 232.283 2.374 20 0 BEADMN Cc1ncoc1CNCCC(C)(F)F ZINC000894869077 583539054 /nfs/dbraw/zinc/53/90/54/583539054.db2.gz OOSWGYQHYBNNPE-UHFFFAOYSA-N 0 1 204.220 2.118 20 0 BEADMN CCOc1ncc(C)cc1NCc1cnc[nH]1 ZINC000894870220 583539784 /nfs/dbraw/zinc/53/97/84/583539784.db2.gz JKIBUVWYZBBRPL-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000894878557 583542076 /nfs/dbraw/zinc/54/20/76/583542076.db2.gz IUTACSJLOLGYKO-PHIMTYICSA-N 0 1 243.310 2.111 20 0 BEADMN CSc1ccc(CN(C)CC(C)(C)CO)o1 ZINC000894882465 583544830 /nfs/dbraw/zinc/54/48/30/583544830.db2.gz ZCPRKKOOJWLXNB-UHFFFAOYSA-N 0 1 243.372 2.452 20 0 BEADMN C[C@H]1c2cccn2CC[N@@H+]1CCCCC(=O)[O-] ZINC000737772129 583547968 /nfs/dbraw/zinc/54/79/68/583547968.db2.gz IHZASWIHODAKHL-NSHDSACASA-N 0 1 236.315 2.120 20 0 BEADMN CCCc1ncc(CN[C@H]2COCC2(C)C)o1 ZINC000894916347 583555804 /nfs/dbraw/zinc/55/58/04/583555804.db2.gz GDHDAIIDOYNQHW-NSHDSACASA-N 0 1 238.331 2.142 20 0 BEADMN Cc1ncoc1CN[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000895086896 583584778 /nfs/dbraw/zinc/58/47/78/583584778.db2.gz XISPTHHRPWHCQN-PHIMTYICSA-N 0 1 238.331 2.419 20 0 BEADMN CCN(CCSC)Cc1ocnc1C ZINC000895089811 583586249 /nfs/dbraw/zinc/58/62/49/583586249.db2.gz PGFZTYKFUSIJTE-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN COCc1ccnc(NCc2n[nH]c(C)c2C)c1 ZINC000895149803 583606079 /nfs/dbraw/zinc/60/60/79/583606079.db2.gz BSXXXFIQPNVKTQ-UHFFFAOYSA-N 0 1 246.314 2.180 20 0 BEADMN FC(F)C1(N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857865898 588916097 /nfs/dbraw/zinc/91/60/97/588916097.db2.gz PZRPZCHHDVOMOJ-MRVPVSSYSA-N 0 1 227.258 2.174 20 0 BEADMN c1csc(Nc2cnn(-c3ccncc3)c2)n1 ZINC000727112932 583616670 /nfs/dbraw/zinc/61/66/70/583616670.db2.gz SYISTMIFWXFRKR-UHFFFAOYSA-N 0 1 243.295 2.467 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000882489115 583618124 /nfs/dbraw/zinc/61/81/24/583618124.db2.gz LYXXZTBHRAAVFX-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1ncc(CN[C@@H]2CCCc3cn[nH]c32)o1 ZINC000857869340 588916878 /nfs/dbraw/zinc/91/68/78/588916878.db2.gz NATFTJFQPKFZBM-LLVKDONJSA-N 0 1 246.314 2.127 20 0 BEADMN CC1(C)COC[C@@H]1NCc1noc2ccccc21 ZINC000895192068 583621870 /nfs/dbraw/zinc/62/18/70/583621870.db2.gz ABYPHDNZBLQJPV-ZDUSSCGKSA-N 0 1 246.310 2.342 20 0 BEADMN CC1=NO[C@H](CNCc2ccc(F)cc2)C1 ZINC000895309337 583646309 /nfs/dbraw/zinc/64/63/09/583646309.db2.gz AHDDPFWUKPTVCY-LBPRGKRZSA-N 0 1 222.263 2.080 20 0 BEADMN CC1=NO[C@@H](CNCc2ccc(C)c(F)c2)C1 ZINC000895311347 583647326 /nfs/dbraw/zinc/64/73/26/583647326.db2.gz PGBKQCDMYZTACT-GFCCVEGCSA-N 0 1 236.290 2.389 20 0 BEADMN CCOc1cccc(CNC[C@H]2CC(C)=NO2)c1 ZINC000895312175 583647555 /nfs/dbraw/zinc/64/75/55/583647555.db2.gz VEVYBLPOQKOJOW-CQSZACIVSA-N 0 1 248.326 2.340 20 0 BEADMN CSc1ccc(CNC2CSC2)o1 ZINC000895319413 583649494 /nfs/dbraw/zinc/64/94/94/583649494.db2.gz XLUYGCQJPJDOQI-UHFFFAOYSA-N 0 1 215.343 2.207 20 0 BEADMN CCc1onc(C)c1CN[C@H]1C=CCC1 ZINC000895337752 583653734 /nfs/dbraw/zinc/65/37/34/583653734.db2.gz LCXGUDBWINSRCF-JTQLQIEISA-N 0 1 206.289 2.354 20 0 BEADMN OCc1ccc(CNCc2ccoc2)cc1F ZINC000727468008 583655460 /nfs/dbraw/zinc/65/54/60/583655460.db2.gz FKZBVWUEEAQXCW-UHFFFAOYSA-N 0 1 235.258 2.201 20 0 BEADMN c1cc(CC2CN(Cc3cnc[nH]3)C2)cs1 ZINC000895379326 583662248 /nfs/dbraw/zinc/66/22/48/583662248.db2.gz UNTQQNCLXSVGBC-UHFFFAOYSA-N 0 1 233.340 2.146 20 0 BEADMN CSc1ccc(CN2C[C@@H]3C[C@@H]3C2)o1 ZINC000895390793 583664325 /nfs/dbraw/zinc/66/43/25/583664325.db2.gz YEKYKJXPOMOQGK-DTORHVGOSA-N 0 1 209.314 2.453 20 0 BEADMN CCC(O)(CC)CN(C)Cc1[nH]nc(C)c1C ZINC000895412496 583666651 /nfs/dbraw/zinc/66/66/51/583666651.db2.gz XRUIGWBUQVLQQP-UHFFFAOYSA-N 0 1 239.363 2.009 20 0 BEADMN c1ncc(CN2CC(c3ccccc3)C2)[nH]1 ZINC000895417978 583667384 /nfs/dbraw/zinc/66/73/84/583667384.db2.gz LAMPJOPHFYHEPQ-UHFFFAOYSA-N 0 1 213.284 2.009 20 0 BEADMN Oc1ccc(F)c(CNCC2CSC2)c1F ZINC000895421872 583673558 /nfs/dbraw/zinc/67/35/58/583673558.db2.gz LIXDFCMKBPYPIC-UHFFFAOYSA-N 0 1 245.294 2.123 20 0 BEADMN FC(F)[C@H]1CCN1Cc1[nH]nc2ccccc21 ZINC000895437568 583674728 /nfs/dbraw/zinc/67/47/28/583674728.db2.gz ULFFZNHFNOGBQW-LLVKDONJSA-N 0 1 237.253 2.402 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccccc1 ZINC000895439960 583675340 /nfs/dbraw/zinc/67/53/40/583675340.db2.gz OLDBUPZUGCAFSN-ZDUSSCGKSA-N 0 1 246.354 2.176 20 0 BEADMN COCc1cc(NCc2cnc[nH]2)ccc1OC ZINC000895450438 583675927 /nfs/dbraw/zinc/67/59/27/583675927.db2.gz YTPYLLBSWMFXMH-UHFFFAOYSA-N 0 1 247.298 2.177 20 0 BEADMN Cc1ncoc1CN1CCC(C)(F)CC1 ZINC000895447530 583676132 /nfs/dbraw/zinc/67/61/32/583676132.db2.gz NXYANVAFHGTZLU-UHFFFAOYSA-N 0 1 212.268 2.307 20 0 BEADMN FCCn1cc(CN2CC(CC3CC3)C2)cn1 ZINC000895515081 583683085 /nfs/dbraw/zinc/68/30/85/583683085.db2.gz BUSPFSSQIFLUPJ-UHFFFAOYSA-N 0 1 237.322 2.085 20 0 BEADMN FC[C@@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000895572566 583692467 /nfs/dbraw/zinc/69/24/67/583692467.db2.gz IYILMSKPHVTGGC-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN Cc1nc(F)ccc1CN1CC[C@H](CF)C1 ZINC000895574578 583692720 /nfs/dbraw/zinc/69/27/20/583692720.db2.gz WZTZKEOGIDDARQ-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN FC[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1 ZINC000895574653 583692791 /nfs/dbraw/zinc/69/27/91/583692791.db2.gz XTFHJNSVONLPJD-VIFPVBQESA-N 0 1 240.347 2.423 20 0 BEADMN Cc1ccoc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000895565129 583693567 /nfs/dbraw/zinc/69/35/67/583693567.db2.gz ULLVXDNRHSZNPJ-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN CCCn1nccc1CN1CC[C@H](CF)C1 ZINC000895566807 583694038 /nfs/dbraw/zinc/69/40/38/583694038.db2.gz DDTXBOOSVJAAKD-LLVKDONJSA-N 0 1 225.311 2.085 20 0 BEADMN COC[C@H]1C[C@@H](NCc2nc(Cl)cs2)C1 ZINC000895622215 583697161 /nfs/dbraw/zinc/69/71/61/583697161.db2.gz AGWYSDAPPDFPPY-OCAPTIKFSA-N 0 1 246.763 2.311 20 0 BEADMN Cc1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1Cl ZINC000895656402 583701690 /nfs/dbraw/zinc/70/16/90/583701690.db2.gz YGDGYWIYKRLLHS-DGCLKSJQSA-N 0 1 237.730 2.215 20 0 BEADMN CC(C)c1nnc(CNCC2CSC2)s1 ZINC000895721063 583712494 /nfs/dbraw/zinc/71/24/94/583712494.db2.gz OWSBLTIEUMLYIV-UHFFFAOYSA-N 0 1 243.401 2.114 20 0 BEADMN C[C@H](N[C@H]1CCS[C@@H]1C)c1ncco1 ZINC000895766307 583719455 /nfs/dbraw/zinc/71/94/55/583719455.db2.gz RKXYVBOASWQCHN-YIZRAAEISA-N 0 1 212.318 2.219 20 0 BEADMN Cc1cc(NC[C@@H]2CCN2C)nc(C2CCC2)n1 ZINC000895768330 583723579 /nfs/dbraw/zinc/72/35/79/583723579.db2.gz XJAVFALWWCIPFS-LBPRGKRZSA-N 0 1 246.358 2.169 20 0 BEADMN CCn1cc(CNCc2ccnc(F)c2)c(C)n1 ZINC000895768308 583723812 /nfs/dbraw/zinc/72/38/12/583723812.db2.gz BTOWEYGJIGJUHO-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN C[N@H+]1CC[C@H]1CNc1ccc2ccc(F)cc2n1 ZINC000895771248 583725159 /nfs/dbraw/zinc/72/51/59/583725159.db2.gz JBVLKYWPUUSQFF-LBPRGKRZSA-N 0 1 245.301 2.490 20 0 BEADMN Cn1ncc(CN2CC(C)(C)C2)c1C1CC1 ZINC000895825025 583734526 /nfs/dbraw/zinc/73/45/26/583734526.db2.gz DKHOCPNDMYWUJF-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN CN(CCCF)Cc1ccc(F)nc1 ZINC000895895674 583743517 /nfs/dbraw/zinc/74/35/17/583743517.db2.gz BXZWKFCNYGOAKW-UHFFFAOYSA-N 0 1 200.232 2.012 20 0 BEADMN CC[C@@H]1C[C@@H](CN2CC(OC(C)C)C2)CCO1 ZINC000895955929 583752513 /nfs/dbraw/zinc/75/25/13/583752513.db2.gz ZAFYJZSSZOLYNW-QWHCGFSZSA-N 0 1 241.375 2.301 20 0 BEADMN COCC1CN(Cc2ccc3c(c2)CCCO3)C1 ZINC000895976318 583753075 /nfs/dbraw/zinc/75/30/75/583753075.db2.gz OHUZFMAVQTXHGO-UHFFFAOYSA-N 0 1 247.338 2.090 20 0 BEADMN COCC1CN(Cc2cc3ccccc3n2C)C1 ZINC000895975167 583756653 /nfs/dbraw/zinc/75/66/53/583756653.db2.gz QEDSOLOETWIITO-UHFFFAOYSA-N 0 1 244.338 2.257 20 0 BEADMN CC[C@@H]1CCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000896132234 583774418 /nfs/dbraw/zinc/77/44/18/583774418.db2.gz LTTBSSTXKSTEON-VXGBXAGGSA-N 0 1 238.375 2.260 20 0 BEADMN CCCN(CC)Cn1cccnc1=S ZINC000727820559 583777645 /nfs/dbraw/zinc/77/76/45/583777645.db2.gz JUGYGICAZXXZCD-UHFFFAOYSA-N 0 1 211.334 2.302 20 0 BEADMN CCC(CC)CNC(=O)c1cncc2nc[nH]c21 ZINC000896182497 583778831 /nfs/dbraw/zinc/77/88/31/583778831.db2.gz VIOOFLIGQAPYOK-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN CC[C@H]1CCCN1Cn1cccnc1=S ZINC000727822653 583778835 /nfs/dbraw/zinc/77/88/35/583778835.db2.gz APEZZMCROVHWPJ-JTQLQIEISA-N 0 1 223.345 2.444 20 0 BEADMN Cc1nc([C@@H]2CCN(Cc3ccoc3C)C2)no1 ZINC000896233915 583784354 /nfs/dbraw/zinc/78/43/54/583784354.db2.gz ZLKOEWGYOXSGJV-GFCCVEGCSA-N 0 1 247.298 2.269 20 0 BEADMN Cc1ccoc1CN1CC[C@@H](c2noc(C)n2)C1 ZINC000896236903 583785598 /nfs/dbraw/zinc/78/55/98/583785598.db2.gz JZRJVEDIFHFEEI-LLVKDONJSA-N 0 1 247.298 2.269 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](C)C1 ZINC000896337648 583793241 /nfs/dbraw/zinc/79/32/41/583793241.db2.gz WKCKTEDXVMDITG-FDYHWXHSSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC[C@@H]1CC1(C)C ZINC000896328775 583794403 /nfs/dbraw/zinc/79/44/03/583794403.db2.gz SWXHDXMDVCXSLD-WDEREUQCSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC[C@@H]1CC1(C)C ZINC000896328773 583794545 /nfs/dbraw/zinc/79/45/45/583794545.db2.gz SWXHDXMDVCXSLD-QWRGUYRKSA-N 0 1 238.375 2.022 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000896403990 583800255 /nfs/dbraw/zinc/80/02/55/583800255.db2.gz QBYIUVZTIRLYQY-KXGXSXBTSA-N 0 1 249.310 2.200 20 0 BEADMN CC(C)n1cc(CN2CCO[C@H](C)CC2)cn1 ZINC000896583635 583815406 /nfs/dbraw/zinc/81/54/06/583815406.db2.gz DUPYQYFDTFXVGB-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1ccc(CN2CCO[C@@H](C)CC2)o1 ZINC000896586212 583815697 /nfs/dbraw/zinc/81/56/97/583815697.db2.gz XRYIUZLYWBTPQV-JTQLQIEISA-N 0 1 209.289 2.199 20 0 BEADMN C[C@@H]1CSC[C@@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000896600405 583817444 /nfs/dbraw/zinc/81/74/44/583817444.db2.gz XFSAWNZQWIRZQD-ADEWGFFLSA-N 0 1 249.383 2.269 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000896693810 583823961 /nfs/dbraw/zinc/82/39/61/583823961.db2.gz IXHXYEYWVOIKJY-IJLUTSLNSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)[C@@H](CN1CCn2cccc2C1)OC ZINC000896761062 583831061 /nfs/dbraw/zinc/83/10/61/583831061.db2.gz JIBHWLCSJWPPKC-TZMCWYRMSA-N 0 1 236.359 2.365 20 0 BEADMN Cc1nc(CNC(=O)C=C2CC[C@H](C)C2)[nH]c1C ZINC000896916368 583854708 /nfs/dbraw/zinc/85/47/08/583854708.db2.gz DEWCTYRHERZCCG-SZUMLMDFSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C=C1CCCC1 ZINC000728311502 583857318 /nfs/dbraw/zinc/85/73/18/583857318.db2.gz AVMYNWJTAOULRQ-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCCC1CCC1 ZINC000896944632 583863136 /nfs/dbraw/zinc/86/31/36/583863136.db2.gz JQLQJDJVCVGFTH-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC23CCCCC3)n1 ZINC000858191602 588938255 /nfs/dbraw/zinc/93/82/55/588938255.db2.gz XQQBSFQWXFKWPR-ZDUSSCGKSA-N 0 1 248.374 2.419 20 0 BEADMN CC(C)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000145628953 583933078 /nfs/dbraw/zinc/93/30/78/583933078.db2.gz BLZMUPWEHZZWOQ-UHFFFAOYSA-N 0 1 223.238 2.238 20 0 BEADMN CCN(CC[S@@](C)=O)Cc1ccccc1C ZINC000798194267 583940603 /nfs/dbraw/zinc/94/06/03/583940603.db2.gz YPXOPBBCGLYLFE-MRXNPFEDSA-N 0 1 239.384 2.195 20 0 BEADMN C(N[C@]12C[C@H]1CCC2)c1nnc(C2CC2)s1 ZINC000897375630 583945120 /nfs/dbraw/zinc/94/51/20/583945120.db2.gz ZKUSAZHJRIZTMW-BXKDBHETSA-N 0 1 235.356 2.448 20 0 BEADMN CC(C)N(C)CC(=O)Nc1c[nH]c2ccccc12 ZINC000888112624 583958379 /nfs/dbraw/zinc/95/83/79/583958379.db2.gz XMIZNJMIBWSIMM-UHFFFAOYSA-N 0 1 245.326 2.447 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000864052637 583999569 /nfs/dbraw/zinc/99/95/69/583999569.db2.gz AKKVPUVFJBULBP-GXFFZTMASA-N 0 1 238.306 2.220 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CCNCc1cscn1 ZINC000897538697 584010894 /nfs/dbraw/zinc/01/08/94/584010894.db2.gz AMYIRFQDXAMXQN-ZYHUDNBSSA-N 0 1 240.372 2.174 20 0 BEADMN CC(C)c1ncc(CN2C[C@@H](C)[C@H](O)C2)s1 ZINC000897681129 584039567 /nfs/dbraw/zinc/03/95/67/584039567.db2.gz PJGOOLCNYMJKID-MWLCHTKSSA-N 0 1 240.372 2.079 20 0 BEADMN COc1ccccc1/C=C/C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684142 584039821 /nfs/dbraw/zinc/03/98/21/584039821.db2.gz KAFQEAIBALINKE-COWJPUMTSA-N 0 1 247.338 2.021 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1O ZINC000897683214 584040279 /nfs/dbraw/zinc/04/02/79/584040279.db2.gz AXSJMQMNAGQOBY-IAQYHMDHSA-N 0 1 242.322 2.047 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2CCOC23CCCCC3)n1 ZINC000897727337 584043017 /nfs/dbraw/zinc/04/30/17/584043017.db2.gz KTDXQEKFIKLUIC-GFCCVEGCSA-N 0 1 249.358 2.300 20 0 BEADMN CC1(C)C[C@H](NCc2ccon2)CCS1 ZINC000897792799 584048608 /nfs/dbraw/zinc/04/86/08/584048608.db2.gz GFBAAYCBBRIBIP-SECBINFHSA-N 0 1 226.345 2.438 20 0 BEADMN OC1CC2(C[C@@H]2NCc2cscc2Cl)C1 ZINC000897848946 584054840 /nfs/dbraw/zinc/05/48/40/584054840.db2.gz RFCFFSRGMUIXCU-JZQLECPJSA-N 0 1 243.759 2.405 20 0 BEADMN CCCCC1(NCc2nccnc2OC)CC1 ZINC000897935741 584062159 /nfs/dbraw/zinc/06/21/59/584062159.db2.gz GDJAJFUBUCXFBJ-UHFFFAOYSA-N 0 1 235.331 2.298 20 0 BEADMN CCC1(NC(=O)[C@H]2CCN2C(C)(C)C)CCC1 ZINC000897949998 584063674 /nfs/dbraw/zinc/06/36/74/584063674.db2.gz QRUAKVWTSFIMIT-LLVKDONJSA-N 0 1 238.375 2.308 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@H]3CCC[C@@H]32)no1 ZINC000897957964 584066631 /nfs/dbraw/zinc/06/66/31/584066631.db2.gz FTEWKDCTEOBDPY-JIMOISOXSA-N 0 1 236.315 2.099 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCCC(C)(C)O2)n1 ZINC000898047414 584073564 /nfs/dbraw/zinc/07/35/64/584073564.db2.gz ZNVUKZRUUUSQMV-NSHDSACASA-N 0 1 237.347 2.155 20 0 BEADMN FC1(F)CC[C@@H](CCNCc2csnn2)C1 ZINC000898017773 584075166 /nfs/dbraw/zinc/07/51/66/584075166.db2.gz SFDJSUKPXLZDFP-QMMMGPOBSA-N 0 1 247.314 2.453 20 0 BEADMN COc1nn(C)cc1CNCc1ccccc1C ZINC000898028235 584076933 /nfs/dbraw/zinc/07/69/33/584076933.db2.gz LDFFFMRDUSSMQJ-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN O[C@H](CCNCc1ncc(Cl)s1)C1CC1 ZINC000898202398 584089636 /nfs/dbraw/zinc/08/96/36/584089636.db2.gz ARESBFJXHGJBHI-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CCC[C@H](CN[C@H](C)c1ncc[nH]1)OCC ZINC000858451044 588955997 /nfs/dbraw/zinc/95/59/97/588955997.db2.gz MTLNGOMGPBLPRJ-GHMZBOCLSA-N 0 1 225.336 2.266 20 0 BEADMN O[C@H](CCNCc1nc2ccccc2o1)C1CC1 ZINC000898198101 584097719 /nfs/dbraw/zinc/09/77/19/584097719.db2.gz NGJWDJBDKAWNOY-GFCCVEGCSA-N 0 1 246.310 2.078 20 0 BEADMN COC1(CNCc2cc[nH]n2)CCCCCC1 ZINC000898263073 584103709 /nfs/dbraw/zinc/10/37/09/584103709.db2.gz DCEFPOBJIGLLOW-UHFFFAOYSA-N 0 1 237.347 2.239 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000898295351 584108089 /nfs/dbraw/zinc/10/80/89/584108089.db2.gz WLNYZSLKOAXSPO-MNOVXSKESA-N 0 1 240.391 2.410 20 0 BEADMN CSCC(C)(C)NCc1nc(C)c(C)[nH]1 ZINC000898305269 584109059 /nfs/dbraw/zinc/10/90/59/584109059.db2.gz WAXWIDPSCGFYGO-UHFFFAOYSA-N 0 1 227.377 2.258 20 0 BEADMN C[C@@H]1CN(c2nc(Cl)cs2)[C@@H](C)CN1C ZINC000858464371 588957627 /nfs/dbraw/zinc/95/76/27/588957627.db2.gz LDXZIIPCJPUNKH-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN CS[C@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000866487638 584119892 /nfs/dbraw/zinc/11/98/92/584119892.db2.gz DEJYNNVNWPHGPC-DBIOUOCHSA-N 0 1 237.372 2.373 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cncc(C(C)C)c1 ZINC000888237045 584120701 /nfs/dbraw/zinc/12/07/01/584120701.db2.gz PNXRPJSUYJMORM-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cl/C=C/CN[C@H]1CCc2cccnc21 ZINC000898424038 584132284 /nfs/dbraw/zinc/13/22/84/584132284.db2.gz AMXANFICDHVEQS-LFKJVQOCSA-N 0 1 208.692 2.411 20 0 BEADMN COc1cncc(CNC/C=C/Cl)c1C ZINC000898429376 584133183 /nfs/dbraw/zinc/13/31/83/584133183.db2.gz NYONGLQLJLXWIN-ONEGZZNKSA-N 0 1 226.707 2.241 20 0 BEADMN Cc1ncc([C@H](C)NC/C=C\Cl)c(C)n1 ZINC000898429090 584133861 /nfs/dbraw/zinc/13/38/61/584133861.db2.gz REJVLUTWVYFZGI-LGYSABEFSA-N 0 1 225.723 2.497 20 0 BEADMN O=c1c(CNC/C=C\Cl)cccn1C(F)F ZINC000898429578 584133953 /nfs/dbraw/zinc/13/39/53/584133953.db2.gz QQKWUVMAWULWOM-RQOWECAXSA-N 0 1 248.660 2.086 20 0 BEADMN CC(=O)Nc1ccccc1CNC/C=C\Cl ZINC000898435080 584135925 /nfs/dbraw/zinc/13/59/25/584135925.db2.gz DIFJQJZDLDQYCC-DAXSKMNVSA-N 0 1 238.718 2.487 20 0 BEADMN Cl/C=C\CNCc1ccc2c(c1)OCCO2 ZINC000898435331 584136196 /nfs/dbraw/zinc/13/61/96/584136196.db2.gz HHCYUKWRKRLNKL-RJRFIUFISA-N 0 1 239.702 2.300 20 0 BEADMN CC(C)(F)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898725185 584155872 /nfs/dbraw/zinc/15/58/72/584155872.db2.gz NJGBBHUYNWVGIY-JTQLQIEISA-N 0 1 244.354 2.114 20 0 BEADMN Cc1cc([C@@H](C)NCc2cccnc2C)n(C)n1 ZINC000858519010 588962401 /nfs/dbraw/zinc/96/24/01/588962401.db2.gz PDJATSUSHDQKKU-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CC1(C)C[C@@]1(C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899203230 584181308 /nfs/dbraw/zinc/18/13/08/584181308.db2.gz KRURYPVDLYXLOF-RULNRJAQSA-N 0 1 247.342 2.066 20 0 BEADMN CC[C@H]1CN(C)CCN1c1nc(Cl)cs1 ZINC000858555774 588965276 /nfs/dbraw/zinc/96/52/76/588965276.db2.gz QRCKFHVSQOLOTI-QMMMGPOBSA-N 0 1 245.779 2.327 20 0 BEADMN C[C@H]1CCN(C(=O)CN(C)C)[C@@H]1c1ccccc1 ZINC000899375384 584207596 /nfs/dbraw/zinc/20/75/96/584207596.db2.gz LMFWMOFKNSMORW-WFASDCNBSA-N 0 1 246.354 2.158 20 0 BEADMN Fc1cccc(-n2cc([C@H]3CCCCN3)nn2)c1 ZINC000899724758 584229954 /nfs/dbraw/zinc/22/99/54/584229954.db2.gz JRMWONOUYSJIPY-GFCCVEGCSA-N 0 1 246.289 2.221 20 0 BEADMN c1c(CNC2CC2)nnn1CC1CCC=CCC1 ZINC000899743160 584236220 /nfs/dbraw/zinc/23/62/20/584236220.db2.gz XMLQMGSIJXYLKI-UHFFFAOYSA-N 0 1 246.358 2.277 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CCC=CCC1 ZINC000899804821 584240001 /nfs/dbraw/zinc/24/00/01/584240001.db2.gz DFOJECIGJDTOAJ-LLVKDONJSA-N 0 1 247.342 2.203 20 0 BEADMN CCn1cc(CN2CCCCCCCC2)nn1 ZINC000899866915 584244058 /nfs/dbraw/zinc/24/40/58/584244058.db2.gz GVKMUXOCXNYUIY-UHFFFAOYSA-N 0 1 236.363 2.454 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2cn(CC)nn2)C1 ZINC000899884573 584246689 /nfs/dbraw/zinc/24/66/89/584246689.db2.gz KDUOUMUROLKFFV-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1noc([C@@H]2NCC[C@H]3CCCC[C@@H]32)n1 ZINC000899992956 584263234 /nfs/dbraw/zinc/26/32/34/584263234.db2.gz GHUMMTDYWUDLKC-OUAUKWLOSA-N 0 1 221.304 2.219 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCCC3)no2)C=CCC1 ZINC000900006114 584264207 /nfs/dbraw/zinc/26/42/07/584264207.db2.gz QGJLRFXZRFKKIG-GFCCVEGCSA-N 0 1 233.315 2.405 20 0 BEADMN C[C@]1(c2nc(C3(N)CCC3)no2)C=CCC1 ZINC000900008263 584265113 /nfs/dbraw/zinc/26/51/13/584265113.db2.gz BXSAWIYFCMQTAJ-NSHDSACASA-N 0 1 219.288 2.015 20 0 BEADMN C[C@@]1(c2nc([C@@H]3CCCN3)no2)C=CCC1 ZINC000900010858 584265549 /nfs/dbraw/zinc/26/55/49/584265549.db2.gz XWRFWVBGOIWELC-JOYOIKCWSA-N 0 1 219.288 2.102 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)Cc2cnc[nH]2)c1 ZINC000900295186 584292172 /nfs/dbraw/zinc/29/21/72/584292172.db2.gz YFJKUKWRRXVMCU-UHFFFAOYSA-N 0 1 243.310 2.232 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)Cc2cnc[nH]2)s1 ZINC000900334883 584294151 /nfs/dbraw/zinc/29/41/51/584294151.db2.gz CIYHEXIKIGLHHK-SECBINFHSA-N 0 1 249.339 2.200 20 0 BEADMN CC1(NC(=O)c2[nH]ncc2F)CCCCC1 ZINC000900322043 584294784 /nfs/dbraw/zinc/29/47/84/584294784.db2.gz AEMJBXZDZMFIBN-UHFFFAOYSA-N 0 1 225.267 2.001 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCCN(c2cccc(C)[nH+]2)C1 ZINC000900376671 584299251 /nfs/dbraw/zinc/29/92/51/584299251.db2.gz UVQSSAMKFXLZLB-CQSZACIVSA-N 0 1 248.326 2.471 20 0 BEADMN CC[C@H](NC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000900491445 584316835 /nfs/dbraw/zinc/31/68/35/584316835.db2.gz UDYJRAUIZZBVER-ZDUSSCGKSA-N 0 1 249.358 2.427 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900555859 584322491 /nfs/dbraw/zinc/32/24/91/584322491.db2.gz GYHOBPQIFRKPSX-AAEUAGOBSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000900588188 584329141 /nfs/dbraw/zinc/32/91/41/584329141.db2.gz MXEFYEAAPYPUBM-MNOVXSKESA-N 0 1 249.358 2.378 20 0 BEADMN CCc1nn(C)c(Cl)c1CNCCSC ZINC000116332016 588976900 /nfs/dbraw/zinc/97/69/00/588976900.db2.gz KPXMFMZUKBNIAP-UHFFFAOYSA-N 0 1 247.795 2.089 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900806918 584353694 /nfs/dbraw/zinc/35/36/94/584353694.db2.gz OGYJYAPCUJXFIM-QWRGUYRKSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C2CCC2)c(C)n1 ZINC000901014176 584374410 /nfs/dbraw/zinc/37/44/10/584374410.db2.gz RIFFFODLVKSIQB-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901117416 584386701 /nfs/dbraw/zinc/38/67/01/584386701.db2.gz IICKUVUWRANMTO-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H](C1CCSCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901451647 584443494 /nfs/dbraw/zinc/44/34/94/584443494.db2.gz DOZPPAHUOMMHSF-MWLCHTKSSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@@H](CCC(F)(F)F)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901452723 584443557 /nfs/dbraw/zinc/44/35/57/584443557.db2.gz JXCMJTYAJNWIEG-JGVFFNPUSA-N 0 1 239.237 2.266 20 0 BEADMN Cc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000901453069 584443571 /nfs/dbraw/zinc/44/35/71/584443571.db2.gz LJQHZWQYDRTJRL-GXTWGEPZSA-N 0 1 247.338 2.475 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)s1 ZINC000901512844 584461138 /nfs/dbraw/zinc/46/11/38/584461138.db2.gz BUUXVPGDKUTYPY-NSHDSACASA-N 0 1 243.303 2.055 20 0 BEADMN CSC1(C[N@@H+](CCC(=O)[O-])CC(C)C)CC1 ZINC000901596038 584466641 /nfs/dbraw/zinc/46/66/41/584466641.db2.gz SLDJDKPQNREEGR-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc(Cl)o1)C(=O)[O-] ZINC000901599294 584468379 /nfs/dbraw/zinc/46/83/79/584468379.db2.gz VEBIRQXKVIZXFO-SSDOTTSWSA-N 0 1 231.679 2.086 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000901599249 584468348 /nfs/dbraw/zinc/46/83/48/584468348.db2.gz TZRGWQWSZNMNOT-JTQLQIEISA-N 0 1 246.310 2.320 20 0 BEADMN CSc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])o1 ZINC000901598774 584468390 /nfs/dbraw/zinc/46/83/90/584468390.db2.gz YDCLMRAUGNZUEV-QMMMGPOBSA-N 0 1 243.328 2.154 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc2[nH]ccc21 ZINC000901605163 584468643 /nfs/dbraw/zinc/46/86/43/584468643.db2.gz MKPZBNFVONKZIK-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc2cnccc2o1 ZINC000901605957 584469005 /nfs/dbraw/zinc/46/90/05/584469005.db2.gz YUNDSKBHARGDMZ-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CCC(CC)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890080 584501726 /nfs/dbraw/zinc/50/17/26/584501726.db2.gz HDMPQBHWNHFKER-NSHDSACASA-N 0 1 245.388 2.172 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@H]1C1CC1 ZINC000901904872 584505126 /nfs/dbraw/zinc/50/51/26/584505126.db2.gz SVQOYOJMZVPJSQ-FPMFFAJLSA-N 0 1 249.354 2.385 20 0 BEADMN COc1cc(C)ccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901972678 584508778 /nfs/dbraw/zinc/50/87/78/584508778.db2.gz ZHKHFAJYGZXVSF-UHFFFAOYSA-N 0 1 249.310 2.053 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CCSCC1 ZINC000901989034 584510271 /nfs/dbraw/zinc/51/02/71/584510271.db2.gz OYJFMKOYVHIPJU-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000901979805 584511080 /nfs/dbraw/zinc/51/10/80/584511080.db2.gz KXLHNAYGSHIORC-SECBINFHSA-N 0 1 232.283 2.073 20 0 BEADMN Cc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000901994961 584511110 /nfs/dbraw/zinc/51/11/10/584511110.db2.gz WGKIVKWDIQQECW-SECBINFHSA-N 0 1 237.299 2.273 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901980426 584511877 /nfs/dbraw/zinc/51/18/77/584511877.db2.gz UMCZMHFSJNRFRH-TUAOUCFPSA-N 0 1 225.332 2.384 20 0 BEADMN Cc1cccc2[nH]c(C[N@H+](C)[C@@H](C)C(=O)[O-])cc21 ZINC000901980506 584512102 /nfs/dbraw/zinc/51/21/02/584512102.db2.gz MNPBRUBLGHONJK-JTQLQIEISA-N 0 1 246.310 2.381 20 0 BEADMN CCn1ccnc1NCc1cnc(F)c(C)c1 ZINC000902113621 584527059 /nfs/dbraw/zinc/52/70/59/584527059.db2.gz HDURQYKWLCUSEA-UHFFFAOYSA-N 0 1 234.278 2.358 20 0 BEADMN c1cc(CNc2nccn2C2CC2)sn1 ZINC000902114808 584527270 /nfs/dbraw/zinc/52/72/70/584527270.db2.gz SHPSCPIQBJFBFW-UHFFFAOYSA-N 0 1 220.301 2.287 20 0 BEADMN CCN(CC1CC1)CN1Cc2ccccc2C1=O ZINC000902131235 584529511 /nfs/dbraw/zinc/52/95/11/584529511.db2.gz RRVKZHBBPXPDCN-UHFFFAOYSA-N 0 1 244.338 2.332 20 0 BEADMN CCn1cnc(CNCCOCCC(C)C)c1 ZINC000902129077 584529615 /nfs/dbraw/zinc/52/96/15/584529615.db2.gz HFYXDPVVAXDVRR-UHFFFAOYSA-N 0 1 239.363 2.055 20 0 BEADMN O=C1[C@@H]2C[C@@H]2CN1CN1CCC2(CCCC2)CC1 ZINC000902150791 584531190 /nfs/dbraw/zinc/53/11/90/584531190.db2.gz OXKPTRXKFRRVKE-CHWSQXEVSA-N 0 1 248.370 2.078 20 0 BEADMN C[C@@H]1CN(CN2Cc3ccccc3C2=O)C[C@H]1C ZINC000902165521 584533573 /nfs/dbraw/zinc/53/35/73/584533573.db2.gz DHGSICYMVNRAQP-VXGBXAGGSA-N 0 1 244.338 2.188 20 0 BEADMN Cc1noc([C@H](C)SCc2[nH]ncc2C)n1 ZINC000902295732 584552712 /nfs/dbraw/zinc/55/27/12/584552712.db2.gz FNSDVXPCRIRWQA-ZETCQYMHSA-N 0 1 238.316 2.404 20 0 BEADMN CCC1(CC)CCCN(CN2CCOC2=O)C1 ZINC000902314939 584555646 /nfs/dbraw/zinc/55/56/46/584555646.db2.gz IKDABKIUXJFMEN-UHFFFAOYSA-N 0 1 240.347 2.298 20 0 BEADMN COC[C@H](CON=C(N)C(C)C)C(C)C ZINC000902329086 584561715 /nfs/dbraw/zinc/56/17/15/584561715.db2.gz WDPGRGPMDNFHAP-SNVBAGLBSA-N 0 1 216.325 2.059 20 0 BEADMN c1[nH]nnc1CCOC[C@H]1CC2CCC1CC2 ZINC000902425125 584593652 /nfs/dbraw/zinc/59/36/52/584593652.db2.gz VOIJTSVDKJEETB-HTAVTVPLSA-N 0 1 235.331 2.190 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902507583 584622034 /nfs/dbraw/zinc/62/20/34/584622034.db2.gz OBSJCCCVIYRJFJ-SREVYHEPSA-N 0 1 223.272 2.218 20 0 BEADMN Cc1cn[nH]c1CSC[C@H]1C[C@@]12CCOC2 ZINC000902541404 584628656 /nfs/dbraw/zinc/62/86/56/584628656.db2.gz IXYCVQPWSZTMSI-ZYHUDNBSSA-N 0 1 238.356 2.378 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902525163 584632308 /nfs/dbraw/zinc/63/23/08/584632308.db2.gz RNLWNZRGPDHXMZ-AATRIKPKSA-N 0 1 235.283 2.362 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@@H]21 ZINC000902554279 584633791 /nfs/dbraw/zinc/63/37/91/584633791.db2.gz JWYLSFBXZOTGJJ-CLHCLYRXSA-N 0 1 249.354 2.075 20 0 BEADMN CCn1cnc(CNCCC(C)(F)F)c1 ZINC000902576918 584637532 /nfs/dbraw/zinc/63/75/32/584637532.db2.gz YWRRHTREDPVKSR-UHFFFAOYSA-N 0 1 217.263 2.038 20 0 BEADMN CNc1ccccc1CN[C@H](C)c1ccnn1C ZINC000902634952 584648386 /nfs/dbraw/zinc/64/83/86/584648386.db2.gz WUVAJOLQCWHJJB-LLVKDONJSA-N 0 1 244.342 2.313 20 0 BEADMN Cc1ccc(NC(=O)NC[C@H]2CCN2C)cc1C ZINC000902932590 584699304 /nfs/dbraw/zinc/69/93/04/584699304.db2.gz GFMCOXZUYHSDCG-CYBMUJFWSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@H](NC1C[C@H]2CCC[C@@H]2C1)c1ncn(C)n1 ZINC000902965297 584701883 /nfs/dbraw/zinc/70/18/83/584701883.db2.gz RUJTZNUXJBHSIO-HBNTYKKESA-N 0 1 234.347 2.044 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000902992046 584710103 /nfs/dbraw/zinc/71/01/03/584710103.db2.gz GAIYVJHFWRXFSE-QNWHQSFQSA-N 0 1 227.323 2.378 20 0 BEADMN COC/C(C)=C/CN1CCC[C@H](F)C1 ZINC000902991712 584710159 /nfs/dbraw/zinc/71/01/59/584710159.db2.gz ZJJFRRZLRJAINK-UAWPZABVSA-N 0 1 201.285 2.013 20 0 BEADMN F[C@H]1CCCN(CCCc2cccnc2)C1 ZINC000902992974 584710640 /nfs/dbraw/zinc/71/06/40/584710640.db2.gz PGHQKDXPSMYTAB-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN CC(C)COCCN1CCC[C@H](F)C1 ZINC000902994718 584712559 /nfs/dbraw/zinc/71/25/59/584712559.db2.gz HSROYXZRDDHCQK-NSHDSACASA-N 0 1 203.301 2.093 20 0 BEADMN CCCCOCCN1CCC[C@H](F)C1 ZINC000903001137 584715391 /nfs/dbraw/zinc/71/53/91/584715391.db2.gz KWOPPURQIMTTTK-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@@H]1CCOC13CCCC3)CC2 ZINC000903178632 584733305 /nfs/dbraw/zinc/73/33/05/584733305.db2.gz XVMCFSURFYBKIS-NWDGAFQWSA-N 0 1 247.342 2.019 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903224005 584738169 /nfs/dbraw/zinc/73/81/69/584738169.db2.gz OOTVHFHBWBGJRR-UPJWGTAASA-N 0 1 247.342 2.085 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903224004 584738200 /nfs/dbraw/zinc/73/82/00/584738200.db2.gz OOTVHFHBWBGJRR-JHJVBQTASA-N 0 1 247.342 2.085 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000903260788 584740318 /nfs/dbraw/zinc/74/03/18/584740318.db2.gz QJLVBTMIYCTGFO-RTXFEEFZSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1cscn1 ZINC000903266112 584741157 /nfs/dbraw/zinc/74/11/57/584741157.db2.gz SZCFTFKSDSIUSB-UISBYWKRSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C2CC2)n1 ZINC000903267865 584741905 /nfs/dbraw/zinc/74/19/05/584741905.db2.gz GONSZWBZQUTQIX-GWCFXTLKSA-N 0 1 231.343 2.321 20 0 BEADMN C[C@H](N[C@@H](CCO)C1CCCC1)c1ncco1 ZINC000903295780 584743105 /nfs/dbraw/zinc/74/31/05/584743105.db2.gz APQPPMCACCRMEY-JQWIXIFHSA-N 0 1 238.331 2.266 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(CO)on1 ZINC000903318274 584750519 /nfs/dbraw/zinc/75/05/19/584750519.db2.gz PUJGIEIEAHWIOV-IZWKTGJZSA-N 0 1 236.315 2.006 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C)c1cccnc1Cl ZINC000903395613 584757150 /nfs/dbraw/zinc/75/71/50/584757150.db2.gz MUDXBLSSVDCJMG-WCABBAIRSA-N 0 1 240.734 2.421 20 0 BEADMN O=C([O-])C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CCC1 ZINC000903407972 584759058 /nfs/dbraw/zinc/75/90/58/584759058.db2.gz BUTQIQLFZGMXGX-YPMHNXCESA-N 0 1 237.343 2.362 20 0 BEADMN CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H](C)C(=O)[O-] ZINC000903408802 584759170 /nfs/dbraw/zinc/75/91/70/584759170.db2.gz NJQBODKYXNQASP-QEYWKRMJSA-N 0 1 247.285 2.073 20 0 BEADMN CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H](C)C(=O)[O-] ZINC000903408800 584759279 /nfs/dbraw/zinc/75/92/79/584759279.db2.gz NJQBODKYXNQASP-DOLQZWNJSA-N 0 1 247.285 2.073 20 0 BEADMN CC(C)C[N@@H+](Cc1ccccn1)[C@H](C)C(=O)[O-] ZINC000903419957 584763506 /nfs/dbraw/zinc/76/35/06/584763506.db2.gz BKQSGSITTGSFEV-LLVKDONJSA-N 0 1 236.315 2.013 20 0 BEADMN C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000903421210 584763624 /nfs/dbraw/zinc/76/36/24/584763624.db2.gz UIOZYKSEZWSTHG-DGCLKSJQSA-N 0 1 233.311 2.339 20 0 BEADMN Cc1cc([C@H](C)NC/C=C/Cl)n(C)n1 ZINC000903444638 584769134 /nfs/dbraw/zinc/76/91/34/584769134.db2.gz QACGGYALMMUHEN-MOVJSRMASA-N 0 1 213.712 2.132 20 0 BEADMN CC[C@@H](NC/C=C/Cl)c1cnn(C)c1 ZINC000903444743 584769424 /nfs/dbraw/zinc/76/94/24/584769424.db2.gz QPDKJWLONAHDST-ORAHPGNNSA-N 0 1 213.712 2.213 20 0 BEADMN CC[C@H](c1nc(-c2cc(C)ccn2)no1)N(C)C ZINC000903467585 584774767 /nfs/dbraw/zinc/77/47/67/584774767.db2.gz CLZKVOLDPKJBND-LLVKDONJSA-N 0 1 246.314 2.453 20 0 BEADMN CCC(F)(F)C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903603317 584784451 /nfs/dbraw/zinc/78/44/51/584784451.db2.gz NQWFWGTUUAETEW-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903603317 584784452 /nfs/dbraw/zinc/78/44/52/584784452.db2.gz NQWFWGTUUAETEW-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN C=C/C=C/CC[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903604566 584784488 /nfs/dbraw/zinc/78/44/88/584784488.db2.gz ZVJOOSLREYGLQH-ZWNMCFTASA-N 0 1 223.316 2.304 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@@H+]1CC=CCC1 ZINC000903595691 584785429 /nfs/dbraw/zinc/78/54/29/584785429.db2.gz NFDFCYVFXQOJPR-UHFFFAOYSA-N 0 1 247.294 2.155 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000903594082 584785674 /nfs/dbraw/zinc/78/56/74/584785674.db2.gz CLYXTUAYZSAWNJ-GMTAPVOTSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000903594293 584785684 /nfs/dbraw/zinc/78/56/84/584785684.db2.gz FDPRYTVGZSSKDB-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000903597810 584785938 /nfs/dbraw/zinc/78/59/38/584785938.db2.gz PKOHLUGTYGMFQB-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903614884 584786741 /nfs/dbraw/zinc/78/67/41/584786741.db2.gz LWCRBSYHGVYPNO-GUBZILKMSA-N 0 1 231.311 2.166 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCCC12CCC2 ZINC000903631136 584788149 /nfs/dbraw/zinc/78/81/49/584788149.db2.gz KHZJNDSKCKMAPS-UHFFFAOYSA-N 0 1 211.305 2.260 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC23CCC3)o1 ZINC000903631925 584788356 /nfs/dbraw/zinc/78/83/56/584788356.db2.gz RAYLRFNDRLIUTI-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695682 584789538 /nfs/dbraw/zinc/78/95/38/584789538.db2.gz GFUJXSNYCYIOGM-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccccc1CF ZINC000903694121 584789739 /nfs/dbraw/zinc/78/97/39/584789739.db2.gz VXDZDBVARZRJCW-LBPRGKRZSA-N 0 1 237.274 2.205 20 0 BEADMN C[C@H]1CSCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696442 584790203 /nfs/dbraw/zinc/79/02/03/584790203.db2.gz WUQOXZVPABSWBK-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CC1CC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)C1 ZINC000903702753 584790575 /nfs/dbraw/zinc/79/05/75/584790575.db2.gz HFZGWVNRFVUKNN-RUJICJSRSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000903702093 584790725 /nfs/dbraw/zinc/79/07/25/584790725.db2.gz PNEJUBSDFIYHQT-RUJICJSRSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2cccc(Cl)c2C1 ZINC000903707570 584791182 /nfs/dbraw/zinc/79/11/82/584791182.db2.gz CMPSZIOUYGZIML-SSDOTTSWSA-N 0 1 225.675 2.129 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903887828 584812839 /nfs/dbraw/zinc/81/28/39/584812839.db2.gz GHWDIUNEYXNJEX-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000903887567 584813389 /nfs/dbraw/zinc/81/33/89/584813389.db2.gz VZKQDJCIENXMOF-MELADBBJSA-N 0 1 245.322 2.197 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903891933 584813610 /nfs/dbraw/zinc/81/36/10/584813610.db2.gz VLLFPMUPXASEEN-UJPOAAIJSA-N 0 1 237.343 2.360 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000903888071 584813776 /nfs/dbraw/zinc/81/37/76/584813776.db2.gz OULKGKVSOSSAJG-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903891871 584813798 /nfs/dbraw/zinc/81/37/98/584813798.db2.gz UCMXANBGWASUMP-FRRDWIJNSA-N 0 1 239.359 2.465 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000903892177 584816972 /nfs/dbraw/zinc/81/69/72/584816972.db2.gz WRVAJAOHBNLZLQ-YNEHKIRRSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]([N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903886246 584818705 /nfs/dbraw/zinc/81/87/05/584818705.db2.gz CCDBCHJWTADVHU-KXUCPTDWSA-N 0 1 213.321 2.074 20 0 BEADMN CCC[N@@H+](C)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903886917 584818816 /nfs/dbraw/zinc/81/88/16/584818816.db2.gz KDDHGCPMJYVHKV-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN CC[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000903885838 584819311 /nfs/dbraw/zinc/81/93/11/584819311.db2.gz UVXWQXNOQYVEIM-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC1CCC1 ZINC000903895877 584820084 /nfs/dbraw/zinc/82/00/84/584820084.db2.gz MTUHIRXIOWBELF-NWDGAFQWSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1CC(C)C1 ZINC000903900212 584820208 /nfs/dbraw/zinc/82/02/08/584820208.db2.gz BJUVMISWGHKCTN-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CC(C)C1 ZINC000903900988 584820741 /nfs/dbraw/zinc/82/07/41/584820741.db2.gz XCCIYAWKXLJGIU-UHFFFAOYSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC000903904060 584821026 /nfs/dbraw/zinc/82/10/26/584821026.db2.gz HIJXARNLWSGJHH-UONOGXRCSA-N 0 1 245.322 2.074 20 0 BEADMN CC1CC(C[N@@H+](C)C2(C(=O)[O-])CCCC2)C1 ZINC000903907723 584821591 /nfs/dbraw/zinc/82/15/91/584821591.db2.gz RLJKICRRUGJUGA-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])Cc2ccccc21 ZINC000903913028 584822691 /nfs/dbraw/zinc/82/26/91/584822691.db2.gz MMYJDHGMKTYRLD-SCDSUCTJSA-N 0 1 245.322 2.326 20 0 BEADMN CCC[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903927566 584824573 /nfs/dbraw/zinc/82/45/73/584824573.db2.gz LXXBGMFKCUNAIZ-QMMMGPOBSA-N 0 1 240.328 2.041 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936507 584826214 /nfs/dbraw/zinc/82/62/14/584826214.db2.gz SYEGQKIPAQZVCU-ZMQQHQCJSA-N 0 1 221.300 2.058 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1ccc(F)cc1 ZINC000903936744 584826526 /nfs/dbraw/zinc/82/65/26/584826526.db2.gz UMHPTVGVCXEQJP-RISCZKNCSA-N 0 1 249.285 2.265 20 0 BEADMN CC[C@@H](C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957464 584827560 /nfs/dbraw/zinc/82/75/60/584827560.db2.gz PZWYPHJLRPWGJC-SNVBAGLBSA-N 0 1 249.310 2.378 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2C)C1 ZINC000903941497 584829066 /nfs/dbraw/zinc/82/90/66/584829066.db2.gz PHKRMTIAEUMPEX-ADPBJBESSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903946297 584829434 /nfs/dbraw/zinc/82/94/34/584829434.db2.gz DRHZNEGSYNBCRU-QWHCGFSZSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCCF)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952430 584831454 /nfs/dbraw/zinc/83/14/54/584831454.db2.gz XSEKNRIWJMKAFW-RCWTZXSCSA-N 0 1 231.311 2.166 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(-c2ccncc2)no1 ZINC000904078110 584839576 /nfs/dbraw/zinc/83/95/76/584839576.db2.gz RGCOBLFIXCKFOB-NSHDSACASA-N 0 1 246.314 2.438 20 0 BEADMN C1CC1C1(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000904075986 584839680 /nfs/dbraw/zinc/83/96/80/584839680.db2.gz UYVAZGNTZUGDPF-JTQLQIEISA-N 0 1 233.315 2.326 20 0 BEADMN CC(C)(NCc1ccc(N)nn1)c1ccccc1 ZINC000904329342 584866232 /nfs/dbraw/zinc/86/62/32/584866232.db2.gz WPAKGIYTMNORLR-UHFFFAOYSA-N 0 1 242.326 2.084 20 0 BEADMN Cc1ccccc1[C@@H](C)NCc1ccc(N)nn1 ZINC000904365016 584874844 /nfs/dbraw/zinc/87/48/44/584874844.db2.gz VIYYTZMDBWPUPG-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN CC(C)(C)c1ccc(CN[C@H]2CNOC2)s1 ZINC000904425560 584881424 /nfs/dbraw/zinc/88/14/24/584881424.db2.gz RCZBZYBVRUYPQS-VIFPVBQESA-N 0 1 240.372 2.039 20 0 BEADMN C[S@](=O)CCN1CC=C(C(C)(C)C)CC1 ZINC000828505496 584903424 /nfs/dbraw/zinc/90/34/24/584903424.db2.gz SYQYGLDLADVQEL-HNNXBMFYSA-N 0 1 229.389 2.043 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000828594375 584904012 /nfs/dbraw/zinc/90/40/12/584904012.db2.gz AAURJAUYIQDSKX-STQMWFEESA-N 0 1 233.311 2.167 20 0 BEADMN C/C=C\COC(=O)[C@@H](CC)N(CC)CC ZINC000741032450 584904367 /nfs/dbraw/zinc/90/43/67/584904367.db2.gz KBMHBUVKZRAHOH-YOOZJCNJSA-N 0 1 213.321 2.226 20 0 BEADMN CCON(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000831480412 584909850 /nfs/dbraw/zinc/90/98/50/584909850.db2.gz IFCVJGKWDPVCPV-UHFFFAOYSA-N 0 1 247.298 2.285 20 0 BEADMN Cc1cccc(OCCCNCc2ncc[nH]2)c1 ZINC000731217648 584923991 /nfs/dbraw/zinc/92/39/91/584923991.db2.gz KGRAVWSSYXKAIS-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN O=C(OCCCF)c1cc(-c2ccco2)n[nH]1 ZINC000741447328 584924992 /nfs/dbraw/zinc/92/49/92/584924992.db2.gz CDOIGGIYVGIZMU-UHFFFAOYSA-N 0 1 238.218 2.186 20 0 BEADMN CC[C@@H](C(=O)OC[C@@H](C)SC)N(CC)CC ZINC000835685069 584929011 /nfs/dbraw/zinc/92/90/11/584929011.db2.gz IXJPQJNHRAPFHV-MNOVXSKESA-N 0 1 247.404 2.402 20 0 BEADMN CCC/C(C)=C/C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000764893728 584932528 /nfs/dbraw/zinc/93/25/28/584932528.db2.gz WWBHYEOSNLKZJW-HUYFXPKMSA-N 0 1 247.342 2.130 20 0 BEADMN Cc1cc(CNC(=O)C=C2CCCCC2)n[nH]1 ZINC000733286659 584945653 /nfs/dbraw/zinc/94/56/53/584945653.db2.gz OZHBMRAUSKRNNN-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN C[C@@H]([N@@H+](C)CN1C[C@H](C)CC1=O)C(C)(C)C ZINC000733290086 584945824 /nfs/dbraw/zinc/94/58/24/584945824.db2.gz PRQMGXIAQOLJMA-GHMZBOCLSA-N 0 1 226.364 2.179 20 0 BEADMN CCCN(CC)CN1C[C@H](C(C)C)CC1=O ZINC000733295439 584946278 /nfs/dbraw/zinc/94/62/78/584946278.db2.gz LRPJVEGEPUQWIA-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@H](C(C)C)CC1=O ZINC000733295595 584946305 /nfs/dbraw/zinc/94/63/05/584946305.db2.gz AXONBZJRGNZSCX-CHWSQXEVSA-N 0 1 240.391 2.426 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@H](C)CCC ZINC000741776261 584953352 /nfs/dbraw/zinc/95/33/52/584953352.db2.gz AAKYQCWDRQHIFG-GHMZBOCLSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1nonc1CN1[C@@H](C)CCC[C@@H]1C ZINC000734149036 584957503 /nfs/dbraw/zinc/95/75/03/584957503.db2.gz URNPORQBMOVXOO-IUCAKERBSA-N 0 1 209.293 2.141 20 0 BEADMN CCn1nc(C)c(-c2nc3ccc(C)cc3[nH]2)n1 ZINC000840765334 584959681 /nfs/dbraw/zinc/95/96/81/584959681.db2.gz CWFLCLKMKQITNT-UHFFFAOYSA-N 0 1 241.298 2.458 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)/C=C\C(C)(C)C ZINC000735125424 584973517 /nfs/dbraw/zinc/97/35/17/584973517.db2.gz KISSEUWAZJDATG-FPLPWBNLSA-N 0 1 249.358 2.369 20 0 BEADMN O=C(OCc1c[nH]nn1)c1sccc1C1CC1 ZINC000735305918 584975356 /nfs/dbraw/zinc/97/53/56/584975356.db2.gz ITYPGBHFFDFAML-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN CC[C@@H]1CCCN(Cc2nonc2C)CC1 ZINC000735310743 584975508 /nfs/dbraw/zinc/97/55/08/584975508.db2.gz DLEMUALEGVQMBE-LLVKDONJSA-N 0 1 223.320 2.390 20 0 BEADMN CCCCCCN(C)CC(=O)Nc1cnoc1 ZINC000735653995 584980701 /nfs/dbraw/zinc/98/07/01/584980701.db2.gz ZECMOYAPSBIKRD-UHFFFAOYSA-N 0 1 239.319 2.125 20 0 BEADMN C[C@H](SCc1nn[nH]n1)c1cccs1 ZINC000736189930 584991328 /nfs/dbraw/zinc/99/13/28/584991328.db2.gz DGPNVEMXPIPDSN-LURJTMIESA-N 0 1 226.330 2.256 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000736220140 584992160 /nfs/dbraw/zinc/99/21/60/584992160.db2.gz XQNMIDDVNSBTSP-MWLCHTKSSA-N 0 1 237.274 2.088 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[Si](C)(C)C ZINC000736432951 585001610 /nfs/dbraw/zinc/00/16/10/585001610.db2.gz WAMHJSPQRPQEFX-UHFFFAOYSA-N 0 1 231.412 2.297 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)[C@@H](C)C2(C)CC2)C1 ZINC000755919149 585001398 /nfs/dbraw/zinc/00/13/98/585001398.db2.gz IDHFBPPDEZBRCI-RYUDHWBXSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)[C@@H](NCc1cnn(C)c1)c1ccccn1 ZINC000736647084 585008354 /nfs/dbraw/zinc/00/83/54/585008354.db2.gz DUAFNHLINRPCLL-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN CC(C)[C@H](NCc1cnn(C)c1)c1ccccn1 ZINC000736647082 585008583 /nfs/dbraw/zinc/00/85/83/585008583.db2.gz DUAFNHLINRPCLL-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN CC[C@@H]1CCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000755994549 585010026 /nfs/dbraw/zinc/01/00/26/585010026.db2.gz IQZYHFYPCBGYHK-LLVKDONJSA-N 0 1 248.326 2.063 20 0 BEADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[O-])C1 ZINC000736941611 585019817 /nfs/dbraw/zinc/01/98/17/585019817.db2.gz XTOVNKYTEYFZEB-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN CC[C@@H](COC)NCc1ccnc(Cl)c1F ZINC000823922489 585028428 /nfs/dbraw/zinc/02/84/28/585028428.db2.gz OCRZTOSWGQQLIG-VIFPVBQESA-N 0 1 246.713 2.389 20 0 BEADMN C[N@@H+](Cc1ccnc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000737494893 585033197 /nfs/dbraw/zinc/03/31/97/585033197.db2.gz DFPSNVVNTYDDIL-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CCC/C=C/C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000737995786 585040071 /nfs/dbraw/zinc/04/00/71/585040071.db2.gz SZJPRTAVAODRMF-GWJCSSMESA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H]1CCCCCN1CN1CCSC1=O ZINC000738221895 585041649 /nfs/dbraw/zinc/04/16/49/585041649.db2.gz DUUFDRZLFAGFHP-SNVBAGLBSA-N 0 1 228.361 2.377 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCc2cn[nH]c2)no1 ZINC000838785179 585069975 /nfs/dbraw/zinc/06/99/75/585069975.db2.gz DCGLIVUDOCIAKS-ZDUSSCGKSA-N 0 1 246.314 2.086 20 0 BEADMN CCn1ncc(CN(C)C2CCCCCC2)n1 ZINC000838788529 585070302 /nfs/dbraw/zinc/07/03/02/585070302.db2.gz ZVAMXHJGDYLBQC-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CC1(C(=O)OCc2c[nH]nn2)CCCCCC1 ZINC000838897820 585079063 /nfs/dbraw/zinc/07/90/63/585079063.db2.gz IGFLYTNNZHTOLN-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CCC[C@](C)(CC)C(=O)OCc1c[nH]nn1 ZINC000838900385 585079857 /nfs/dbraw/zinc/07/98/57/585079857.db2.gz QBHMNERLFIRPQR-NSHDSACASA-N 0 1 225.292 2.064 20 0 BEADMN CC[C@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838900318 585079899 /nfs/dbraw/zinc/07/98/99/585079899.db2.gz HSSHMRJXWBVKII-LBPRGKRZSA-N 0 1 245.282 2.042 20 0 BEADMN Cc1cc(CNC[C@H](C)c2ccncc2)no1 ZINC000838970527 585083085 /nfs/dbraw/zinc/08/30/85/585083085.db2.gz WRRSSHZDWJMUSC-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN CCn1ncc(CN2CCC[C@H](C(C)C)C2)n1 ZINC000839032097 585088557 /nfs/dbraw/zinc/08/85/57/585088557.db2.gz YICGQCIBQYDXEP-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1cnn(CC)n1 ZINC000839099899 585090663 /nfs/dbraw/zinc/09/06/63/585090663.db2.gz LMCXUSIRLMPJRK-ZYHUDNBSSA-N 0 1 222.336 2.061 20 0 BEADMN CCn1ncc(CNC2CC(C(C)(C)C)C2)n1 ZINC000839116711 585092205 /nfs/dbraw/zinc/09/22/05/585092205.db2.gz PTUATDAKFCVEMQ-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cc(F)ncc2F)C1 ZINC000839147469 585092297 /nfs/dbraw/zinc/09/22/97/585092297.db2.gz JUIOXZJJSIUYFA-AOOOYVTPSA-N 0 1 242.269 2.017 20 0 BEADMN CC(C)C1(O)CN(Cc2cccc3cc[nH]c32)C1 ZINC000839132148 585094149 /nfs/dbraw/zinc/09/41/49/585094149.db2.gz AVKGSKZOMLKURW-UHFFFAOYSA-N 0 1 244.338 2.371 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1cc(F)ncc1F ZINC000839192250 585097234 /nfs/dbraw/zinc/09/72/34/585097234.db2.gz NPDBMSJYEBFFSV-MNOVXSKESA-N 0 1 242.269 2.017 20 0 BEADMN CC[C@H](C)OC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741014903 585109211 /nfs/dbraw/zinc/10/92/11/585109211.db2.gz RPEIFQJHPHRCAU-RYUDHWBXSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](C)OC(=O)[C@@H](CC)N(CC)CC ZINC000741031963 585109333 /nfs/dbraw/zinc/10/93/33/585109333.db2.gz BZKAFEHJHUJYPG-GHMZBOCLSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)[C@@H](C)C1CC1 ZINC000741782686 585118439 /nfs/dbraw/zinc/11/84/39/585118439.db2.gz GGZLHHYNFYRDNO-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CCONC(=O)[C@H]1CCSc2ccccc21 ZINC000742042432 585121681 /nfs/dbraw/zinc/12/16/81/585121681.db2.gz KNFJFTDKUCWZQI-JTQLQIEISA-N 0 1 237.324 2.334 20 0 BEADMN CC(=CC(=O)Nc1nnc(C)[nH]1)C(C)(C)C ZINC000742633862 585129266 /nfs/dbraw/zinc/12/92/66/585129266.db2.gz UGGUDQLBXUEZRT-VOTSOKGWSA-N 0 1 222.292 2.044 20 0 BEADMN CC(=CC(=O)Nc1nc(C)n[nH]1)C(C)(C)C ZINC000742633862 585129267 /nfs/dbraw/zinc/12/92/67/585129267.db2.gz UGGUDQLBXUEZRT-VOTSOKGWSA-N 0 1 222.292 2.044 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3C2)nc1Cl ZINC000886348903 585133966 /nfs/dbraw/zinc/13/39/66/585133966.db2.gz UVQOCVSDEIAVCB-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(CC)C2CCC2)C1 ZINC000743364920 585135986 /nfs/dbraw/zinc/13/59/86/585135986.db2.gz PTAMZIYBTNRGSU-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000743391029 585136468 /nfs/dbraw/zinc/13/64/68/585136468.db2.gz RRCUZKWEPUVOOF-LBPRGKRZSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)n1cc([C@@H](C)NCc2ccnn2C)cn1 ZINC000747099792 585175077 /nfs/dbraw/zinc/17/50/77/585175077.db2.gz MOWNVEIOMXNZAN-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN C[N@@H+](CCOc1cccc(F)c1)Cc1cn[nH]c1 ZINC000748039488 585186701 /nfs/dbraw/zinc/18/67/01/585186701.db2.gz OMJIIZFIQCNVFP-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN CN(CCOc1cccc(F)c1)Cc1cn[nH]c1 ZINC000748039488 585186702 /nfs/dbraw/zinc/18/67/02/585186702.db2.gz OMJIIZFIQCNVFP-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN CCCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000748522225 585193792 /nfs/dbraw/zinc/19/37/92/585193792.db2.gz HHIJRDGYBIOWPU-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CCF ZINC000749459346 585202432 /nfs/dbraw/zinc/20/24/32/585202432.db2.gz DBOFOFFHCIFNEO-ZWNOBZJWSA-N 0 1 223.291 2.280 20 0 BEADMN CS[C@H]1CCCCN(Cc2nonc2C)C1 ZINC000749465772 585202789 /nfs/dbraw/zinc/20/27/89/585202789.db2.gz JTWJHFHTOGEUIF-JTQLQIEISA-N 0 1 241.360 2.096 20 0 BEADMN CC(C)S(=O)(=O)CCN1CCCCC[C@H]1C ZINC000749796551 585206211 /nfs/dbraw/zinc/20/62/11/585206211.db2.gz MRTAWRCKXADUEC-GFCCVEGCSA-N 0 1 247.404 2.074 20 0 BEADMN CN(CC1CC1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749937209 585208517 /nfs/dbraw/zinc/20/85/17/585208517.db2.gz BOUUFWDRTJYOEV-STQMWFEESA-N 0 1 236.359 2.077 20 0 BEADMN CN(CN1C(=O)[C@@H]2CCCCC[C@H]21)C1CCC1 ZINC000749957728 585208805 /nfs/dbraw/zinc/20/88/05/585208805.db2.gz BFRBIFMUHZVVCW-CHWSQXEVSA-N 0 1 236.359 2.219 20 0 BEADMN CCc1cc(CNC(=O)C2(CC)CCC2)n[nH]1 ZINC000751379415 585228397 /nfs/dbraw/zinc/22/83/97/585228397.db2.gz PNSBITOGRGXISG-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(C2CCC2)CC1 ZINC000751383518 585228876 /nfs/dbraw/zinc/22/88/76/585228876.db2.gz XUYWDDBUAZPJKD-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H]1CCCN1CN1CC2(CCCC2)CC1=O ZINC000751933112 585239648 /nfs/dbraw/zinc/23/96/48/585239648.db2.gz HKMPEDYSQCKAID-LBPRGKRZSA-N 0 1 236.359 2.221 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000752074167 585241287 /nfs/dbraw/zinc/24/12/87/585241287.db2.gz CQWVCCPLXKENOO-UTUOFQBUSA-N 0 1 227.348 2.306 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000752074162 585241364 /nfs/dbraw/zinc/24/13/64/585241364.db2.gz CQWVCCPLXKENOO-GRYCIOLGSA-N 0 1 227.348 2.306 20 0 BEADMN CN(C)c1ccnc(NC(=O)/C=C/C2CC2)c1 ZINC000753005221 585252392 /nfs/dbraw/zinc/25/23/92/585252392.db2.gz JEXQZZCYEUWWCY-AATRIKPKSA-N 0 1 231.299 2.052 20 0 BEADMN Cc1n[nH]c(C(=O)NC23CCC(CC2)C3)c1C ZINC000753134904 585254079 /nfs/dbraw/zinc/25/40/79/585254079.db2.gz AJWHVRXTIDVAEN-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CCCC(CCC)C(=O)OCCc1c[nH]nn1 ZINC000753553098 585261339 /nfs/dbraw/zinc/26/13/39/585261339.db2.gz LSSOOFAYQLPDPE-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CCCC(CCC)C(=O)OCCc1cnn[nH]1 ZINC000753553098 585261340 /nfs/dbraw/zinc/26/13/40/585261340.db2.gz LSSOOFAYQLPDPE-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CCc1cc(CNC(=O)C(C2CC2)C2CC2)n[nH]1 ZINC000753581520 585262711 /nfs/dbraw/zinc/26/27/11/585262711.db2.gz OGTJQUMLMGGROG-UHFFFAOYSA-N 0 1 247.342 2.025 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)[C@H](C)CN1C ZINC000753745803 585267722 /nfs/dbraw/zinc/26/77/22/585267722.db2.gz JQFFPAKEFZVWTL-VXGBXAGGSA-N 0 1 240.391 2.016 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccc(F)nc2)C1 ZINC000754155956 585279370 /nfs/dbraw/zinc/27/93/70/585279370.db2.gz NMHQRFMNFWCVHZ-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN C[C@H]1CSCCN(Cc2ccc(F)nc2)C1 ZINC000754155957 585279548 /nfs/dbraw/zinc/27/95/48/585279548.db2.gz NMHQRFMNFWCVHZ-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN CCN1CCN(C(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC000754197559 585280194 /nfs/dbraw/zinc/28/01/94/585280194.db2.gz NVVDYTRXIGBYRS-ABZNLYFFSA-N 0 1 238.375 2.141 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(CC)[C@H](C)C1 ZINC000754198899 585280211 /nfs/dbraw/zinc/28/02/11/585280211.db2.gz ZJMFBVVBZIHZMA-KXXVWKPMSA-N 0 1 238.375 2.285 20 0 BEADMN CCN1CCN(C(=O)C=C2CCCC2)C[C@@H]1C ZINC000754198241 585280337 /nfs/dbraw/zinc/28/03/37/585280337.db2.gz VBVDKGJUVRPYHQ-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)(C)[C@@H]1CCN(C/C=C\Cl)C[C@@H]1O ZINC000754237527 585280755 /nfs/dbraw/zinc/28/07/55/585280755.db2.gz ZNLFCIZSISNGDS-FPNIURKZSA-N 0 1 231.767 2.468 20 0 BEADMN CC(C)CCON=C(N)CN1CCCC[C@H]1C ZINC000754291785 585282024 /nfs/dbraw/zinc/28/20/24/585282024.db2.gz KSOBDHIHKOMOBU-GFCCVEGCSA-N 0 1 241.379 2.405 20 0 BEADMN C/C=C\C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000754711981 585289631 /nfs/dbraw/zinc/28/96/31/585289631.db2.gz ORFZVMPDKCRAGO-XOPPAYCJSA-N 0 1 236.319 2.072 20 0 BEADMN CCc1nc(COC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC000754845494 585291489 /nfs/dbraw/zinc/29/14/89/585291489.db2.gz KPOZIUJVCPERRV-HZAKCSEPSA-N 0 1 249.314 2.157 20 0 BEADMN CCc1nc(CN(C)c2ccc(C)cc2F)n[nH]1 ZINC000839649774 585333365 /nfs/dbraw/zinc/33/33/65/585333365.db2.gz YGYSDPVDUXHQEE-UHFFFAOYSA-N 0 1 248.305 2.451 20 0 BEADMN CCn1nc(C)c(CN2CC(C)(C)C[C@H]2C)n1 ZINC000839658607 585333551 /nfs/dbraw/zinc/33/35/51/585333551.db2.gz OODPDOVRHMYTHD-SNVBAGLBSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2CC[C@H](C3CCC3)C2)n1 ZINC000839679595 585337257 /nfs/dbraw/zinc/33/72/57/585337257.db2.gz IJCHEKGIUVEIOO-ZDUSSCGKSA-N 0 1 248.374 2.228 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@@](C)(CC)C1 ZINC000758747268 585359248 /nfs/dbraw/zinc/35/92/48/585359248.db2.gz KIBMWYNTXQLINO-DGCLKSJQSA-N 0 1 227.348 2.450 20 0 BEADMN Oc1ccc([C@H]2CCCN2CCF)cc1 ZINC000759331363 585367081 /nfs/dbraw/zinc/36/70/81/585367081.db2.gz YIRWWAPVGRQAMR-GFCCVEGCSA-N 0 1 209.264 2.499 20 0 BEADMN Oc1ccc([C@@H]2CCCN2CCF)cc1 ZINC000759331367 585367187 /nfs/dbraw/zinc/36/71/87/585367187.db2.gz YIRWWAPVGRQAMR-LBPRGKRZSA-N 0 1 209.264 2.499 20 0 BEADMN C[C@H](C(=O)NOCC(F)F)c1ccccc1F ZINC000759335176 585368458 /nfs/dbraw/zinc/36/84/58/585368458.db2.gz OYABYLBTFUVOES-ZETCQYMHSA-N 0 1 247.216 2.242 20 0 BEADMN CC[C@@H](C(=O)NOCC(F)F)c1ccccc1 ZINC000759339563 585368762 /nfs/dbraw/zinc/36/87/62/585368762.db2.gz WZQXGDLQBVAOGS-SNVBAGLBSA-N 0 1 243.253 2.493 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)CCF)C1(C)C ZINC000759341807 585369140 /nfs/dbraw/zinc/36/91/40/585369140.db2.gz FMPVTULMUKHDCZ-ZJUUUORDSA-N 0 1 203.301 2.091 20 0 BEADMN FCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000759355245 585371073 /nfs/dbraw/zinc/37/10/73/585371073.db2.gz ZNOIZBMTSLHIDC-CQSZACIVSA-N 0 1 237.318 2.290 20 0 BEADMN FCCN1CCC2(CC1)OCc1ccccc12 ZINC000759785552 585380185 /nfs/dbraw/zinc/38/01/85/585380185.db2.gz ZPNOLLGXAJZXJG-UHFFFAOYSA-N 0 1 235.302 2.477 20 0 BEADMN CCC(C)(C)CCOC(=O)CCc1nc[nH]n1 ZINC000759847010 585381390 /nfs/dbraw/zinc/38/13/90/585381390.db2.gz CPEKIEHXFQIZIS-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN FCCN1CCC(c2ccncc2)CC1 ZINC000759942726 585383235 /nfs/dbraw/zinc/38/32/35/585383235.db2.gz YMNGQMJNJXWLLI-UHFFFAOYSA-N 0 1 208.280 2.231 20 0 BEADMN O=C(N[C@@H](c1cccnc1)C1CC1)C(F)(F)F ZINC000760016352 585384178 /nfs/dbraw/zinc/38/41/78/585384178.db2.gz FQHBTCZHBHKCRC-SECBINFHSA-N 0 1 244.216 2.211 20 0 BEADMN CC(C)CC1CCN(CN2CCCC2=O)CC1 ZINC000760398464 585391882 /nfs/dbraw/zinc/39/18/82/585391882.db2.gz KUNBXGKPWLQKSX-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000760961794 585402591 /nfs/dbraw/zinc/40/25/91/585402591.db2.gz RSRMEPDGFKRHCF-WCQYABFASA-N 0 1 249.358 2.066 20 0 BEADMN FC(F)(F)[C@@H]1CCN(Cc2ccncc2)C1 ZINC000761050296 585404186 /nfs/dbraw/zinc/40/41/86/585404186.db2.gz SLLYYNNQNLPNJM-SNVBAGLBSA-N 0 1 230.233 2.466 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2Cl)CCN1C ZINC000761076640 585406170 /nfs/dbraw/zinc/40/61/70/585406170.db2.gz IUWZUASCZJMZIC-LLVKDONJSA-N 0 1 238.762 2.476 20 0 BEADMN C[C@H]1CN(CCCCC(F)(F)F)CC[N@H+]1C ZINC000761078334 585406557 /nfs/dbraw/zinc/40/65/57/585406557.db2.gz QSPODPNVOICBGG-JTQLQIEISA-N 0 1 238.297 2.355 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)ccc2F)CCN1C ZINC000761081548 585407012 /nfs/dbraw/zinc/40/70/12/585407012.db2.gz XNOOQDCWEJLFPU-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN O[C@H](CN1CC[C@H]2C[C@H]21)c1ccc(F)cc1F ZINC000761095344 585408500 /nfs/dbraw/zinc/40/85/00/585408500.db2.gz ONXDFSHRRYCOFY-ZEGGKSINSA-N 0 1 239.265 2.092 20 0 BEADMN Cc1nc(CN2CC[C@H]3C[C@H]32)sc1C ZINC000761094308 585408631 /nfs/dbraw/zinc/40/86/31/585408631.db2.gz NNOGLNUCKROTDC-VHSXEESVSA-N 0 1 208.330 2.354 20 0 BEADMN C[C@H]1COCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000762484927 585432839 /nfs/dbraw/zinc/43/28/39/585432839.db2.gz FTLUFTNYGJJTGV-CABZTGNLSA-N 0 1 236.315 2.067 20 0 BEADMN CCCCN(C)Cn1cnc(-c2ccccn2)n1 ZINC000762484301 585432941 /nfs/dbraw/zinc/43/29/41/585432941.db2.gz UIPAJBRGWGTFEC-UHFFFAOYSA-N 0 1 245.330 2.030 20 0 BEADMN CCN(CN1C[C@H](C2CC2)CC1=O)C1CCC1 ZINC000762498214 585433461 /nfs/dbraw/zinc/43/34/61/585433461.db2.gz YCNSPNOFUILOMW-GFCCVEGCSA-N 0 1 236.359 2.077 20 0 BEADMN CC(C)N1CCN(C/C(Cl)=C\Cl)CC1 ZINC000763491320 585448929 /nfs/dbraw/zinc/44/89/29/585448929.db2.gz XKMYHUCWPNBDNM-JXMROGBWSA-N 0 1 237.174 2.331 20 0 BEADMN Cl/C=C(\Cl)CN1CCN(C2CCC2)CC1 ZINC000763553833 585450496 /nfs/dbraw/zinc/45/04/96/585450496.db2.gz KEPZQHCSADKVKG-NTMALXAHSA-N 0 1 249.185 2.476 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676078 585452265 /nfs/dbraw/zinc/45/22/65/585452265.db2.gz PSPXWAHKWQAYQS-QWRGUYRKSA-N 0 1 249.310 2.368 20 0 BEADMN CCN(Cc1ccoc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676287 585452316 /nfs/dbraw/zinc/45/23/16/585452316.db2.gz RTTYIPKSAMKXSO-LBPRGKRZSA-N 0 1 249.310 2.197 20 0 BEADMN O=C(OCC1CC1)c1c(F)cc(O)cc1F ZINC000763977601 585458121 /nfs/dbraw/zinc/45/81/21/585458121.db2.gz IGAICQQRLAITRI-UHFFFAOYSA-N 0 1 228.194 2.237 20 0 BEADMN CC[C@@H](C(=O)OCC1CC1)N(CC)CC ZINC000763986326 585458228 /nfs/dbraw/zinc/45/82/28/585458228.db2.gz XUARVJDNRYEACQ-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cc(CC(=O)OC/C(Cl)=C/Cl)n[nH]1 ZINC000764008155 585458797 /nfs/dbraw/zinc/45/87/97/585458797.db2.gz PEYOLNXZHGDUJI-DAXSKMNVSA-N 0 1 249.097 2.123 20 0 BEADMN Cc1cc(CC(=O)OC/C(Cl)=C\Cl)n[nH]1 ZINC000764008156 585458829 /nfs/dbraw/zinc/45/88/29/585458829.db2.gz PEYOLNXZHGDUJI-QPJJXVBHSA-N 0 1 249.097 2.123 20 0 BEADMN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N(C)C ZINC000764387935 585464457 /nfs/dbraw/zinc/46/44/57/585464457.db2.gz SJWUGFREIOTGOW-ZDUSSCGKSA-N 0 1 234.343 2.298 20 0 BEADMN CC[C@@H](C)CON=C(N)CN1CCCCCC1 ZINC000764551679 585467763 /nfs/dbraw/zinc/46/77/63/585467763.db2.gz HZIIAMIXLVJXKH-GFCCVEGCSA-N 0 1 241.379 2.407 20 0 BEADMN CC[C@H](C)CON=C(N)CN1CCCC[C@H]1C ZINC000764554859 585467892 /nfs/dbraw/zinc/46/78/92/585467892.db2.gz YMHZXCUTCIKTFE-NWDGAFQWSA-N 0 1 241.379 2.405 20 0 BEADMN CCC/C=C/C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000765934425 585493836 /nfs/dbraw/zinc/49/38/36/585493836.db2.gz DDUWSQQVRPIZRV-AYSSICMYSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@H](C(=O)OCC[C@H](C)OC)N(CC)CC ZINC000765962955 585494551 /nfs/dbraw/zinc/49/45/51/585494551.db2.gz HMAPZZURGFINHR-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CCc1cc(CN[C@H](C)c2cnn(CC)c2)[nH]n1 ZINC000765991723 585495319 /nfs/dbraw/zinc/49/53/19/585495319.db2.gz GKKGKOKRVQOOAN-SNVBAGLBSA-N 0 1 247.346 2.039 20 0 BEADMN CCc1ncc(CN(C)CCCF)s1 ZINC000766071359 585497165 /nfs/dbraw/zinc/49/71/65/585497165.db2.gz MHQVJBOJSZDDQL-UHFFFAOYSA-N 0 1 216.325 2.497 20 0 BEADMN C/C=C/COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766191020 585498719 /nfs/dbraw/zinc/49/87/19/585498719.db2.gz XSPZSTURZFMBPV-NSCUHMNNSA-N 0 1 244.250 2.108 20 0 BEADMN C[C@@H](C(=O)OCCCF)N1[C@H](C)CC[C@H]1C ZINC000767348707 585517120 /nfs/dbraw/zinc/51/71/20/585517120.db2.gz HLJQHDNZYGICJV-MXWKQRLJSA-N 0 1 231.311 2.151 20 0 BEADMN CC[C@@H](CO)[N@@H+](CCF)Cc1ccccc1 ZINC000767827486 585526788 /nfs/dbraw/zinc/52/67/88/585526788.db2.gz OUENPUWXBWAQAV-ZDUSSCGKSA-N 0 1 225.307 2.229 20 0 BEADMN CC[C@@H](CO)N(CCF)Cc1ccccc1 ZINC000767827486 585526789 /nfs/dbraw/zinc/52/67/89/585526789.db2.gz OUENPUWXBWAQAV-ZDUSSCGKSA-N 0 1 225.307 2.229 20 0 BEADMN Cc1cc(CN2CCC3(CCCC3)C2)nn1C ZINC000767900991 585527708 /nfs/dbraw/zinc/52/77/08/585527708.db2.gz RIKUCBGKOAZUEB-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CC1(C)CN([C@H]2CCOC2=O)CC(C)(C)C1 ZINC000767914584 585528271 /nfs/dbraw/zinc/52/82/71/585528271.db2.gz ASFZMAWBYBEBEE-JTQLQIEISA-N 0 1 225.332 2.060 20 0 BEADMN CCc1nnc([C@H](C)NC2CC(C(F)F)C2)[nH]1 ZINC000768710570 585542075 /nfs/dbraw/zinc/54/20/75/585542075.db2.gz ZAFDMICFYAWACK-KKMMWDRVSA-N 0 1 244.289 2.061 20 0 BEADMN CO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000769446266 585556823 /nfs/dbraw/zinc/55/68/23/585556823.db2.gz LOURXIZVTGONBL-SNVBAGLBSA-N 0 1 238.356 2.241 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000769578951 585560143 /nfs/dbraw/zinc/56/01/43/585560143.db2.gz PSXHDKBYMNKHQF-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN O=C(Nc1cnoc1)c1c(O)cccc1Cl ZINC000769741389 585562754 /nfs/dbraw/zinc/56/27/54/585562754.db2.gz LOAQHMGQZQVXEV-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN CC[C@H](SC)C(=O)OCCN1CCCCC1 ZINC000770403745 585573846 /nfs/dbraw/zinc/57/38/46/585573846.db2.gz KDQDPONEPWOPCH-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN CC(C)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770559311 585576695 /nfs/dbraw/zinc/57/66/95/585576695.db2.gz OKAPRRZILJZKKA-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC[C@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770575930 585576962 /nfs/dbraw/zinc/57/69/62/585576962.db2.gz BWABFVKLAANUGG-VIFPVBQESA-N 0 1 245.282 2.427 20 0 BEADMN Cc1nc(COC(=O)/C=C/C2CCCCC2)n[nH]1 ZINC000770643313 585579136 /nfs/dbraw/zinc/57/91/36/585579136.db2.gz HMXSMYDZSAARMO-BQYQJAHWSA-N 0 1 249.314 2.293 20 0 BEADMN CC(C)c1cnc(CN[C@@H](CCO)C(C)C)o1 ZINC000771783788 585600103 /nfs/dbraw/zinc/60/01/03/585600103.db2.gz FNWSYUVZEZSKFE-NSHDSACASA-N 0 1 240.347 2.295 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000771944395 585605145 /nfs/dbraw/zinc/60/51/45/585605145.db2.gz WEMCMKLWTVDDFW-MMRAYRKESA-N 0 1 238.375 2.189 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCCC2(C)C)n[nH]1 ZINC000772976589 585628836 /nfs/dbraw/zinc/62/88/36/585628836.db2.gz LSKCODRQHOFAER-GFCCVEGCSA-N 0 1 249.358 2.415 20 0 BEADMN CC[C@H](C(=O)OCCSC)N(CC)CC ZINC000773525209 585639559 /nfs/dbraw/zinc/63/95/59/585639559.db2.gz ZKGBGEALNNDQNJ-SNVBAGLBSA-N 0 1 233.377 2.013 20 0 BEADMN Cc1ccccc1C[C@@H](C)N(C)CC1OCCO1 ZINC000773933205 585646627 /nfs/dbraw/zinc/64/66/27/585646627.db2.gz BKQIFZDCWFJOTQ-CYBMUJFWSA-N 0 1 249.354 2.231 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCC=CO1)CC2 ZINC000774840418 585667082 /nfs/dbraw/zinc/66/70/82/585667082.db2.gz MERNBWLRQCTRNC-HNNXBMFYSA-N 0 1 245.322 2.443 20 0 BEADMN CCn1cc(CN(C)C[C@H]2CCC=CO2)cn1 ZINC000774886725 585668541 /nfs/dbraw/zinc/66/85/41/585668541.db2.gz WVMJIVNCTUIVBQ-CYBMUJFWSA-N 0 1 235.331 2.028 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CCC=CO2)C[C@@H]1F ZINC000775056415 585671365 /nfs/dbraw/zinc/67/13/65/585671365.db2.gz HWSOTHZQXVDZLI-WOPDTQHZSA-N 0 1 213.296 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CCCC[C@@H](C)C2)n1 ZINC000775729472 585683727 /nfs/dbraw/zinc/68/37/27/585683727.db2.gz MIROKAWCZWLOLX-SNVBAGLBSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@@H](C)C2)n1 ZINC000775729472 585683728 /nfs/dbraw/zinc/68/37/28/585683728.db2.gz MIROKAWCZWLOLX-SNVBAGLBSA-N 0 1 235.331 2.113 20 0 BEADMN CCCCC[C@H](CC)C(=O)NCCN1CCC1 ZINC000775785355 585684774 /nfs/dbraw/zinc/68/47/74/585684774.db2.gz YKFDWSUQHNBOKF-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)[C@H](C)CN1C ZINC000775984448 585688892 /nfs/dbraw/zinc/68/88/92/585688892.db2.gz GIHMWVZEQQNANU-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)N(Cc1cccs1)Cn1cnnc1 ZINC000776757264 585704057 /nfs/dbraw/zinc/70/40/57/585704057.db2.gz KYZHIBUHWIFGQB-UHFFFAOYSA-N 0 1 236.344 2.208 20 0 BEADMN CC1(C)c2ccccc2CCN1CC1OCCO1 ZINC000777723728 585719217 /nfs/dbraw/zinc/71/92/17/585719217.db2.gz JCMIFADKPGSTEL-UHFFFAOYSA-N 0 1 247.338 2.153 20 0 BEADMN CCCC[N@@H+](C)CCNCc1ccc(F)nc1 ZINC000778170044 585726631 /nfs/dbraw/zinc/72/66/31/585726631.db2.gz JCZCRMXAOOCHNW-UHFFFAOYSA-N 0 1 239.338 2.042 20 0 BEADMN C[C@H]1CCN(CCC(=O)C2CC2)C[C@@H]1F ZINC000778231983 585728552 /nfs/dbraw/zinc/72/85/52/585728552.db2.gz DNIBQEUFTFHIBY-ONGXEEELSA-N 0 1 213.296 2.036 20 0 BEADMN CC[C@@H](C(=O)O[C@@H](C)CCOC)N(CC)CC ZINC000778690948 585739257 /nfs/dbraw/zinc/73/92/57/585739257.db2.gz WJRZUOFCSZJCSZ-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)(C(=O)OCCC1CC1)N1CCCC1 ZINC000805614731 585741018 /nfs/dbraw/zinc/74/10/18/585741018.db2.gz SDDRYPIOWMNUSN-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN OCCCCCCCN1CCC=C(F)C1 ZINC000778961679 585742414 /nfs/dbraw/zinc/74/24/14/585742414.db2.gz VZQQISWHNSXHHG-UHFFFAOYSA-N 0 1 215.312 2.488 20 0 BEADMN CN(Cc1ccc(F)nc1)C[C@H]1CCCCO1 ZINC000779154185 585746158 /nfs/dbraw/zinc/74/61/58/585746158.db2.gz HJQRSYNGQNOLOM-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H](CCO)Nc1ccc(CN(C)C)c(F)c1 ZINC000779420669 585754590 /nfs/dbraw/zinc/75/45/90/585754590.db2.gz CYFUKVSPBTWMFR-JTQLQIEISA-N 0 1 240.322 2.070 20 0 BEADMN c1ccc2c(c1)CC[C@@H]2CN1CCOCC1 ZINC000780286080 585776885 /nfs/dbraw/zinc/77/68/85/585776885.db2.gz HUQOBGVISCGUAJ-CYBMUJFWSA-N 0 1 217.312 2.049 20 0 BEADMN CC(C)[C@H]1CCCN(Cn2cc[nH]c2=S)C1 ZINC000780500835 585779630 /nfs/dbraw/zinc/77/96/30/585779630.db2.gz YPGDVLPKTIXZIM-NSHDSACASA-N 0 1 239.388 2.497 20 0 BEADMN CC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000781357399 585795168 /nfs/dbraw/zinc/79/51/68/585795168.db2.gz ONWDGTMWKNQYPP-ONEGZZNKSA-N 0 1 215.203 2.170 20 0 BEADMN CO[C@@H]1CN(Cc2ccnc(F)c2)CC[C@@H]1C ZINC000859270952 589026542 /nfs/dbraw/zinc/02/65/42/589026542.db2.gz ZFZIOAZPSARTLK-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@H](C1CC1)N1CCO[C@@H](c2ccco2)C1 ZINC000782186383 585811052 /nfs/dbraw/zinc/81/10/52/585811052.db2.gz JRDKMKPEXCJPJE-ZWNOBZJWSA-N 0 1 221.300 2.451 20 0 BEADMN C[C@H]1CN(C)C(=O)CN1CCC1CCCCC1 ZINC000782594461 585821380 /nfs/dbraw/zinc/82/13/80/585821380.db2.gz HMSFCNMDCYLWIY-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN OC[C@@]12C[C@@H]1CN(Cc1cccc(Cl)c1)C2 ZINC000782617564 585822713 /nfs/dbraw/zinc/82/27/13/585822713.db2.gz PLHYGEIUOOFRPJ-YPMHNXCESA-N 0 1 237.730 2.154 20 0 BEADMN C[C@H]1CC[C@H]1NCc1cn(-c2ccccc2)nn1 ZINC000783252977 585832258 /nfs/dbraw/zinc/83/22/58/585832258.db2.gz DRZPINRIDMAELY-SMDDNHRTSA-N 0 1 242.326 2.155 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1cn(-c2ccccc2)nn1 ZINC000783252970 585832369 /nfs/dbraw/zinc/83/23/69/585832369.db2.gz DRZPINRIDMAELY-FZMZJTMJSA-N 0 1 242.326 2.155 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1cn(-c2ccccc2)nn1 ZINC000783252974 585832476 /nfs/dbraw/zinc/83/24/76/585832476.db2.gz DRZPINRIDMAELY-RISCZKNCSA-N 0 1 242.326 2.155 20 0 BEADMN C[C@H]1CC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000783285386 585833145 /nfs/dbraw/zinc/83/31/45/585833145.db2.gz QQBPRGAEPCJNJW-GWCFXTLKSA-N 0 1 228.299 2.478 20 0 BEADMN CC[C@H](NC[C@H]1CCC=CO1)c1nccn1C ZINC000783310649 585833539 /nfs/dbraw/zinc/83/35/39/585833539.db2.gz QVQNYLJGNAGEKB-NEPJUHHUSA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)COC(=O)CN(C)C[C@H]1CC=CCC1 ZINC000784385067 585857997 /nfs/dbraw/zinc/85/79/97/585857997.db2.gz IEJLVVXUDDGPLD-ZDUSSCGKSA-N 0 1 239.359 2.474 20 0 BEADMN CO[C@@H]1CN(Cc2ccc(F)nc2)CC[C@H]1C ZINC000784668405 585865596 /nfs/dbraw/zinc/86/55/96/585865596.db2.gz OUKXOFIFSVORAN-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN CCCC=CC(=O)N[C@H](CC)c1ncc[nH]1 ZINC000785421864 585873228 /nfs/dbraw/zinc/87/32/28/585873228.db2.gz VQZPZDVVMQBOBV-JYESYGNLSA-N 0 1 221.304 2.333 20 0 BEADMN C/C=C/C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877146 585882210 /nfs/dbraw/zinc/88/22/10/585882210.db2.gz KSNOFWIKOJJZCV-NSCUHMNNSA-N 0 1 219.219 2.217 20 0 BEADMN Cc1nonc1CN(C)C1(C)CCCC1 ZINC000786212644 585888675 /nfs/dbraw/zinc/88/86/75/585888675.db2.gz BSLQCRSQVZVVGP-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN CCCS(=O)(=O)CCN(C)C1(C)CCCC1 ZINC000786217505 585888830 /nfs/dbraw/zinc/88/88/30/585888830.db2.gz NAPNJFLXJFEINW-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CC[C@H](C(=O)O[C@@H](C)C(F)F)N(CC)CC ZINC000786507705 585893157 /nfs/dbraw/zinc/89/31/57/585893157.db2.gz OQBKBCGBMZAVJN-DTWKUNHWSA-N 0 1 237.290 2.304 20 0 BEADMN C/C=C(\CC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000788945589 585932116 /nfs/dbraw/zinc/93/21/16/585932116.db2.gz BATAURCXNUABFI-KGKZPBIOSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1nonc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000789453100 585943198 /nfs/dbraw/zinc/94/31/98/585943198.db2.gz YSYZQTPQQUOUON-KKZNHRDASA-N 0 1 223.320 2.244 20 0 BEADMN CC(C)(C)SCCCC(=O)Nc1c[nH]nn1 ZINC000789927889 585953862 /nfs/dbraw/zinc/95/38/62/585953862.db2.gz JBOSATBFEHHJHU-UHFFFAOYSA-N 0 1 242.348 2.055 20 0 BEADMN CC(C)=CCCN[C@@H](C)c1nnnn1C1CC1 ZINC000790536616 585966150 /nfs/dbraw/zinc/96/61/50/585966150.db2.gz GLSMXQMDOLVRQL-JTQLQIEISA-N 0 1 235.335 2.015 20 0 BEADMN O=C(OCC1=CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000790824079 585969638 /nfs/dbraw/zinc/96/96/38/585969638.db2.gz IYRFXISWAJDAER-NSHDSACASA-N 0 1 246.310 2.483 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000791564883 585984214 /nfs/dbraw/zinc/98/42/14/585984214.db2.gz BDAFRWZYORBKSM-VYUIOLGVSA-N 0 1 241.281 2.481 20 0 BEADMN CC[C@@H](C)OC(=O)c1ccc2cncn2c1 ZINC000792549840 586002559 /nfs/dbraw/zinc/00/25/59/586002559.db2.gz GWGKTCYKVVKHOH-SECBINFHSA-N 0 1 218.256 2.290 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)c1ccc2cncn2c1 ZINC000793126718 586011297 /nfs/dbraw/zinc/01/12/97/586011297.db2.gz OUOUCFWVXSRCSJ-GXSJLCMTSA-N 0 1 230.267 2.147 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc[nH]2)n(C)n1 ZINC000793545857 586022406 /nfs/dbraw/zinc/02/24/06/586022406.db2.gz DDRZWTLEJRSNOI-WDEREUQCSA-N 0 1 232.331 2.468 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCCN1CC=CCC1 ZINC000794115308 586032867 /nfs/dbraw/zinc/03/28/67/586032867.db2.gz KRUVAIAIIARBJL-OUKQBFOZSA-N 0 1 236.359 2.111 20 0 BEADMN CC(C)ON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000794531359 586041522 /nfs/dbraw/zinc/04/15/22/586041522.db2.gz WPZHBYKYJDGJSM-PHIMTYICSA-N 0 1 227.352 2.156 20 0 BEADMN NC(CN1CCCCCC1)=NOCCCCF ZINC000795208483 586072114 /nfs/dbraw/zinc/07/21/14/586072114.db2.gz HHNOZYXWDSEBGR-UHFFFAOYSA-N 0 1 245.342 2.111 20 0 BEADMN C/C(=C/C(=O)OCc1nc(C(C)C)n[nH]1)C1CC1 ZINC000795331174 586075021 /nfs/dbraw/zinc/07/50/21/586075021.db2.gz CFQBOHNMEGOBCO-TWGQIWQCSA-N 0 1 249.314 2.328 20 0 BEADMN C/C(=C/C(=O)OCc1n[nH]c(C(C)C)n1)C1CC1 ZINC000795331174 586075023 /nfs/dbraw/zinc/07/50/23/586075023.db2.gz CFQBOHNMEGOBCO-TWGQIWQCSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)N(Cc1ccnc(F)c1)[C@H]1CCOC1 ZINC000859311199 589029878 /nfs/dbraw/zinc/02/98/78/589029878.db2.gz TZGTXZPYMRQZJA-LBPRGKRZSA-N 0 1 238.306 2.220 20 0 BEADMN O=C1SCCN1CN1CCC2(CCC2)CC1 ZINC000795713198 586091409 /nfs/dbraw/zinc/09/14/09/586091409.db2.gz GJMJQYASHPJYOQ-UHFFFAOYSA-N 0 1 240.372 2.379 20 0 BEADMN c1ncc(CN2CC[C@H]2c2ccccc2)[nH]1 ZINC000796442849 586103177 /nfs/dbraw/zinc/10/31/77/586103177.db2.gz PUPPBIDEZYMSEI-ZDUSSCGKSA-N 0 1 213.284 2.357 20 0 BEADMN CCN(Cc1nonc1C)CC1CCC1 ZINC000796534534 586106090 /nfs/dbraw/zinc/10/60/90/586106090.db2.gz VIYCQXLWDOYWPV-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN CC[C@@H](C)CN1CC(O)(c2ccccc2)C1 ZINC000796622068 586108460 /nfs/dbraw/zinc/10/84/60/586108460.db2.gz PXVBSFBGOHBMEE-GFCCVEGCSA-N 0 1 219.328 2.236 20 0 BEADMN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ncc[nH]1 ZINC000796760174 586111569 /nfs/dbraw/zinc/11/15/69/586111569.db2.gz LNMUVZWDEBBMFF-AAEUAGOBSA-N 0 1 245.326 2.102 20 0 BEADMN C[S@](=O)CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000798195628 586140004 /nfs/dbraw/zinc/14/00/04/586140004.db2.gz OVXYYZVOVYDFJP-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CN(CC[S@@](C)=O)[C@@H]1c1ccccc1 ZINC000798198067 586140270 /nfs/dbraw/zinc/14/02/70/586140270.db2.gz VTCOQTNLBGDMPG-PVXIVEMSSA-N 0 1 237.368 2.058 20 0 BEADMN CC/C=C/COC(=O)[C@@H](C(C)C)N(C)C ZINC000798817832 586150442 /nfs/dbraw/zinc/15/04/42/586150442.db2.gz DEGWEMCQASJATI-WSKFYRRCSA-N 0 1 213.321 2.082 20 0 BEADMN FC1(CN2CC[C@H](c3ccccn3)C2)CC1 ZINC000798964814 586154320 /nfs/dbraw/zinc/15/43/20/586154320.db2.gz MZTCMCYNQBMHSJ-NSHDSACASA-N 0 1 220.291 2.373 20 0 BEADMN FC1(CN2CC[C@@H](c3ccccn3)C2)CC1 ZINC000798964809 586154487 /nfs/dbraw/zinc/15/44/87/586154487.db2.gz MZTCMCYNQBMHSJ-LLVKDONJSA-N 0 1 220.291 2.373 20 0 BEADMN C[C@@]1(F)CCCN(CCOC2CCOCC2)C1 ZINC000859318075 589030927 /nfs/dbraw/zinc/03/09/27/589030927.db2.gz BHMFOAPADRPRRR-CYBMUJFWSA-N 0 1 245.338 2.006 20 0 BEADMN COC[C@]1(C)CCN(Cc2ccnc(F)c2)C1 ZINC000859321577 589031796 /nfs/dbraw/zinc/03/17/96/589031796.db2.gz LLWGKJGQDQPVME-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(F)c2)C[C@H]1C ZINC000859325555 589031843 /nfs/dbraw/zinc/03/18/43/589031843.db2.gz XFBGEDLGBJYOMV-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN Cc1cc(CC(=O)O[C@@H]2CCCC2(C)C)n[nH]1 ZINC000799495210 586181067 /nfs/dbraw/zinc/18/10/67/586181067.db2.gz PHJWTMDFLNTFKP-LLVKDONJSA-N 0 1 236.315 2.383 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)nc2)[C@@H](C)C1 ZINC000799736235 586195190 /nfs/dbraw/zinc/19/51/90/586195190.db2.gz JCVTWUZMHKHHCT-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)(C)C(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000801988302 586285552 /nfs/dbraw/zinc/28/55/52/586285552.db2.gz UJNCFUQSMOZWGD-VIFPVBQESA-N 0 1 249.301 2.305 20 0 BEADMN CCCCN(CC)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839959161 586300741 /nfs/dbraw/zinc/30/07/41/586300741.db2.gz NJGIEDVNQBRZPP-STQMWFEESA-N 0 1 238.375 2.324 20 0 BEADMN CC(C)N(CN1C[C@H]2CCC[C@H]2C1=O)C1CC1 ZINC000839961617 586301779 /nfs/dbraw/zinc/30/17/79/586301779.db2.gz YAIKXOPCCCILMI-DGCLKSJQSA-N 0 1 236.359 2.075 20 0 BEADMN CCC1CCN(CN2C[C@@H](C)[C@@H](C)C2=O)CC1 ZINC000839968522 586305143 /nfs/dbraw/zinc/30/51/43/586305143.db2.gz LGHHJYPUXDNHSH-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN FC(F)[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000802653430 586307854 /nfs/dbraw/zinc/30/78/54/586307854.db2.gz LVYJIPKDGIPFMD-WDEREUQCSA-N 0 1 231.286 2.309 20 0 BEADMN Cc1cnc(CN2CCCC(F)(F)CC2)cn1 ZINC000859534462 589043521 /nfs/dbraw/zinc/04/35/21/589043521.db2.gz BPGBELCPCZOWQP-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839994079 586336191 /nfs/dbraw/zinc/33/61/91/586336191.db2.gz SORDBEJVCXECPQ-YNEHKIRRSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C=Cc2ccco2)n[nH]1 ZINC000840010874 586366394 /nfs/dbraw/zinc/36/63/94/586366394.db2.gz IEHNIVFDAAXPFE-RPSMYOMKSA-N 0 1 247.254 2.024 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccc(F)cc2)n[nH]1 ZINC000840009109 586366519 /nfs/dbraw/zinc/36/65/19/586366519.db2.gz ZMLKPAJORCVSMS-ZETCQYMHSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2cccc(F)c2)n[nH]1 ZINC000840011911 586368541 /nfs/dbraw/zinc/36/85/41/586368541.db2.gz MUXSVUBSFPCKQX-SSDOTTSWSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840015795 586372975 /nfs/dbraw/zinc/37/29/75/586372975.db2.gz RXXMDIVNGGBGFG-LERXQTSPSA-N 0 1 248.370 2.075 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000804297064 586388950 /nfs/dbraw/zinc/38/89/50/586388950.db2.gz DEBPPLUKKSNWDU-MNOVXSKESA-N 0 1 247.342 2.466 20 0 BEADMN Clc1cnc(CN(C2CC2)C2CC2)cn1 ZINC000859628530 589050442 /nfs/dbraw/zinc/05/04/42/589050442.db2.gz WRATWPLSAQLMCW-UHFFFAOYSA-N 0 1 223.707 2.257 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000840061092 586412163 /nfs/dbraw/zinc/41/21/63/586412163.db2.gz BZVYAPILGCKGBZ-PSASIEDQSA-N 0 1 235.287 2.074 20 0 BEADMN CC1=C(C)CN(CN2C[C@@H](C)[C@@H](C)C2=O)CC1 ZINC000840063641 586413278 /nfs/dbraw/zinc/41/32/78/586413278.db2.gz YZMLVNARFWRORM-CHWSQXEVSA-N 0 1 236.359 2.100 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@@H]3CCC[C@H]3C2=O)C1 ZINC000840068142 586416082 /nfs/dbraw/zinc/41/60/82/586416082.db2.gz XPUOWIOWUTVPHF-FPMFFAJLSA-N 0 1 248.370 2.100 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2(C)CCCC2)n[nH]1 ZINC000840070142 586416500 /nfs/dbraw/zinc/41/65/00/586416500.db2.gz ZRWXKZUKEQJIPC-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN CC/C=C(\C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840077333 586418989 /nfs/dbraw/zinc/41/89/89/586418989.db2.gz HKRLHBGIMPLNLY-HYDMIIDASA-N 0 1 223.276 2.074 20 0 BEADMN CCCN(CC)CN1C[C@](C)(CC)CC1=O ZINC000808150046 586464800 /nfs/dbraw/zinc/46/48/00/586464800.db2.gz XOTJLHTWZZBTEA-CYBMUJFWSA-N 0 1 226.364 2.324 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN(C)CC(C)C)C1 ZINC000808144620 586464806 /nfs/dbraw/zinc/46/48/06/586464806.db2.gz IQGGOFNFRYVZTQ-ZDUSSCGKSA-N 0 1 226.364 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1CC(C)(C)CC1=O ZINC000808157596 586465362 /nfs/dbraw/zinc/46/53/62/586465362.db2.gz LSAHVHWYATVIGU-NSHDSACASA-N 0 1 226.364 2.180 20 0 BEADMN CCN(CN1C(=O)CCC1(C)C)C1CCC1 ZINC000808160346 586465887 /nfs/dbraw/zinc/46/58/87/586465887.db2.gz PECOCHLRLNYZQW-UHFFFAOYSA-N 0 1 224.348 2.219 20 0 BEADMN CC(C)C(=O)CCN1CCOc2ccccc2C1 ZINC000808711702 586484073 /nfs/dbraw/zinc/48/40/73/586484073.db2.gz POWUALXWVPFXRD-UHFFFAOYSA-N 0 1 247.338 2.496 20 0 BEADMN CC[C@H]1C[N@@H+](CCC(=O)C(C)C)C[C@@H](C)O1 ZINC000808725916 586484590 /nfs/dbraw/zinc/48/45/90/586484590.db2.gz KLANVKUWUUXYPR-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)C[C@@H](C)O1 ZINC000808725916 586484591 /nfs/dbraw/zinc/48/45/91/586484591.db2.gz KLANVKUWUUXYPR-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN COc1cncc(C[N@H+]2CCC2(C)C)c1 ZINC000808736784 586485924 /nfs/dbraw/zinc/48/59/24/586485924.db2.gz FCMSGJZSOWWEDM-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN COc1cncc(CN2CCC2(C)C)c1 ZINC000808736784 586485925 /nfs/dbraw/zinc/48/59/25/586485925.db2.gz FCMSGJZSOWWEDM-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000808749607 586487649 /nfs/dbraw/zinc/48/76/49/586487649.db2.gz BXMOJMZPMMAFAI-WOPDTQHZSA-N 0 1 227.348 2.099 20 0 BEADMN C[C@H]1CN(CN(C)C2CC(C)(C)C2)C(=O)[C@@H]1C ZINC000840163321 586501660 /nfs/dbraw/zinc/50/16/60/586501660.db2.gz HMISDDWHXWNVTF-WDEREUQCSA-N 0 1 238.375 2.179 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cnc([C@@H](C)O)s1 ZINC000809601961 586509012 /nfs/dbraw/zinc/50/90/12/586509012.db2.gz GRJXPNDWQTUJJW-KOLCDFICSA-N 0 1 240.372 2.427 20 0 BEADMN CCN1CCN(Cc2coc(C3CC3)n2)[C@@H](C)C1 ZINC000809698254 586513411 /nfs/dbraw/zinc/51/34/11/586513411.db2.gz WRVKBPLSAYCCDQ-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN CCN(CN1CCCC1=O)C1CC(C)(C)C1 ZINC000840183639 586513479 /nfs/dbraw/zinc/51/34/79/586513479.db2.gz HVAGWZOHUTUAFA-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cnn(C)n2)[C@H]2CCCC[C@@H]12 ZINC000809935068 586524102 /nfs/dbraw/zinc/52/41/02/586524102.db2.gz HUNCYGNHMXLVBV-XBFCOCLRSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)n2)[C@H]2CCCC[C@@H]12 ZINC000809935068 586524103 /nfs/dbraw/zinc/52/41/03/586524103.db2.gz HUNCYGNHMXLVBV-XBFCOCLRSA-N 0 1 248.374 2.216 20 0 BEADMN CCC(CC)CN(CC)Cc1cnn(C)n1 ZINC000809935740 586524480 /nfs/dbraw/zinc/52/44/80/586524480.db2.gz QOZGJEKCUCUZIQ-UHFFFAOYSA-N 0 1 224.352 2.073 20 0 BEADMN CC(C)(C)N1CC[C@](F)(C(=O)OCC2CC2)C1 ZINC000810538790 586539935 /nfs/dbraw/zinc/53/99/35/586539935.db2.gz FOAYXBWSSVNMAL-CYBMUJFWSA-N 0 1 243.322 2.152 20 0 BEADMN CC(C)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810549625 586541182 /nfs/dbraw/zinc/54/11/82/586541182.db2.gz QAVVXPAQCDANIG-LBPRGKRZSA-N 0 1 231.311 2.151 20 0 BEADMN C/C(=C/C(=O)O[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC000840213269 586548713 /nfs/dbraw/zinc/54/87/13/586548713.db2.gz BXEDHKBLPMIGEV-UAPHAKCISA-N 0 1 235.287 2.074 20 0 BEADMN CCC/C(C)=C\C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840218131 586551900 /nfs/dbraw/zinc/55/19/00/586551900.db2.gz IKTWQWANAQVXTA-UFGYOYAJSA-N 0 1 237.303 2.464 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3ccoc3)C2)c1 ZINC000811519890 586560526 /nfs/dbraw/zinc/56/05/26/586560526.db2.gz FXCATZJCHWWQJU-CYBMUJFWSA-N 0 1 231.299 2.232 20 0 BEADMN C[C@H]1CCCN1CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811753305 586566597 /nfs/dbraw/zinc/56/65/97/586566597.db2.gz RMIKVAWRKAZULT-CMPLNLGQSA-N 0 1 236.359 2.075 20 0 BEADMN CC(C)[C@@H](C(=O)NOC1CCC1)c1cccnc1 ZINC000812790721 586584817 /nfs/dbraw/zinc/58/48/17/586584817.db2.gz FGKFEWXPMWWNDI-CYBMUJFWSA-N 0 1 248.326 2.422 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2cc(C)c(C)o2)n[nH]1 ZINC000840323314 586622603 /nfs/dbraw/zinc/62/26/03/586622603.db2.gz LAQBTRPXTJSJKX-QMMMGPOBSA-N 0 1 249.270 2.241 20 0 BEADMN CCc1ccc(CN2CCOCC[C@H]2C)nc1 ZINC000815084762 586665739 /nfs/dbraw/zinc/66/57/39/586665739.db2.gz AURRSSDNNXSUCB-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@@H]1CCCC[C@H]1CCNCc1cnn(C)n1 ZINC000815126491 586668257 /nfs/dbraw/zinc/66/82/57/586668257.db2.gz MTRPKMVBPGMWJL-NEPJUHHUSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000815163389 586671227 /nfs/dbraw/zinc/67/12/27/586671227.db2.gz QHVVPBRBYNZBRF-JRKPZEMJSA-N 0 1 241.281 2.338 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H]1C ZINC000815163587 586671989 /nfs/dbraw/zinc/67/19/89/586671989.db2.gz PVWQTABIASIXNN-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN O=C(OCCF)[C@@H]1CCCCN1C1CCCC1 ZINC000815443741 586684783 /nfs/dbraw/zinc/68/47/83/586684783.db2.gz IOLHVFWHVYPNCT-LBPRGKRZSA-N 0 1 243.322 2.296 20 0 BEADMN CC(F)(F)C(=O)NC1(C(F)(F)F)CCC1 ZINC000815719792 586692559 /nfs/dbraw/zinc/69/25/59/586692559.db2.gz NGSMIWUONALWBQ-UHFFFAOYSA-N 0 1 231.164 2.243 20 0 BEADMN CO[C@H]1CCCC[C@@H]1C(=O)NOC1CCCC1 ZINC000815951266 586699652 /nfs/dbraw/zinc/69/96/52/586699652.db2.gz YZFUIIKEQUQCCX-RYUDHWBXSA-N 0 1 241.331 2.182 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2cocc2C)n[nH]1 ZINC000859781249 589060780 /nfs/dbraw/zinc/06/07/80/589060780.db2.gz BEGRHWYSFCZJCI-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCC1(COC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000816186259 586712739 /nfs/dbraw/zinc/71/27/39/586712739.db2.gz VEEXBAAMMSHGPH-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(COC(=O)[C@H](C(C)C)N(C)C)co1 ZINC000816244318 586714887 /nfs/dbraw/zinc/71/48/87/586714887.db2.gz CCWLNQRVAJIVJM-LBPRGKRZSA-N 0 1 239.315 2.217 20 0 BEADMN CC[C@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816495530 586737096 /nfs/dbraw/zinc/73/70/96/586737096.db2.gz YYXXXIMPSLLYRU-JTQLQIEISA-N 0 1 227.739 2.448 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cnn(C)c1Cl ZINC000816519947 586738074 /nfs/dbraw/zinc/73/80/74/586738074.db2.gz ATVBGLWGUZJBPK-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000859809223 589062541 /nfs/dbraw/zinc/06/25/41/589062541.db2.gz ORIWFRBJMQVCMR-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN Cc1cccc2ncc(CN3C[C@H](C)[C@H]3C)n21 ZINC000816646333 586747641 /nfs/dbraw/zinc/74/76/41/586747641.db2.gz CACXIWTUJJGAMD-CMPLNLGQSA-N 0 1 229.327 2.483 20 0 BEADMN COc1cc(CN2C[C@@H](C)[C@@H]2C)cc2c1OCO2 ZINC000816648317 586749828 /nfs/dbraw/zinc/74/98/28/586749828.db2.gz IRTADQGSCCTTCM-ZJUUUORDSA-N 0 1 249.310 2.264 20 0 BEADMN CC(C)COCCC(=O)NOc1ccccc1 ZINC000816684699 586755825 /nfs/dbraw/zinc/75/58/25/586755825.db2.gz NADARPSIILRDKC-UHFFFAOYSA-N 0 1 237.299 2.159 20 0 BEADMN C[C@@H](NC(=O)C=C1CC[C@@H](C)C1)c1ncc[nH]1 ZINC000816719176 586759971 /nfs/dbraw/zinc/75/99/71/586759971.db2.gz RNCUQQQGLZHNIJ-DBUSQJFRSA-N 0 1 233.315 2.333 20 0 BEADMN C/C=C/C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017310 586779134 /nfs/dbraw/zinc/77/91/34/586779134.db2.gz INEREVUTDJEUBS-ONEGZZNKSA-N 0 1 215.256 2.386 20 0 BEADMN CCC1(CC)CCN(CN2CCC[C@H]2C)C1=O ZINC000817360405 586798752 /nfs/dbraw/zinc/79/87/52/586798752.db2.gz OIMBIQMKYWDVSI-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN O=C(NOCCC1CC1)c1n[nH]c2ccccc21 ZINC000817416499 586802638 /nfs/dbraw/zinc/80/26/38/586802638.db2.gz ITZKJWYVHMPHGJ-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN C[C@@H](CN(C)[C@@H]1CCOC1=O)C1CCCCC1 ZINC000859864121 589067318 /nfs/dbraw/zinc/06/73/18/589067318.db2.gz MYWXNUYDHIXPSJ-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC[C@H]2C(C)C)n1 ZINC000818344874 586886902 /nfs/dbraw/zinc/88/69/02/586886902.db2.gz HRFCCNGUIMDYAL-NWDGAFQWSA-N 0 1 236.363 2.131 20 0 BEADMN CCC/C(C)=C\C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818621450 586907814 /nfs/dbraw/zinc/90/78/14/586907814.db2.gz VWLIBNOVRJOTBN-QEEXHBDFSA-N 0 1 238.375 2.284 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)C[C@H]1CC ZINC000818969866 586918513 /nfs/dbraw/zinc/91/85/13/586918513.db2.gz AKXZDTPZMBBWBD-RSKUSDAESA-N 0 1 238.375 2.285 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000819276925 586946294 /nfs/dbraw/zinc/94/62/94/586946294.db2.gz VRHFOAWKTIVREA-ZWNOBZJWSA-N 0 1 249.358 2.415 20 0 BEADMN CC1(C)CCCC[C@@H]1CC(=O)Nc1c[nH]nn1 ZINC000819487837 586968744 /nfs/dbraw/zinc/96/87/44/586968744.db2.gz JJOPTZHXORZTHB-SECBINFHSA-N 0 1 236.319 2.350 20 0 BEADMN CC(C(=O)N1CCc2nc[nH]c2C1)=C1CCCC1 ZINC000819967612 587008839 /nfs/dbraw/zinc/00/88/39/587008839.db2.gz IHUGWYIOVXRKEG-UHFFFAOYSA-N 0 1 245.326 2.185 20 0 BEADMN Cc1cnccc1CC(=O)NOc1ccccc1 ZINC000820049021 587014996 /nfs/dbraw/zinc/01/49/96/587014996.db2.gz OBDKKNDCOVBQGI-UHFFFAOYSA-N 0 1 242.278 2.043 20 0 BEADMN O=C(/C=C\C1CC1)Nc1n[nH]c2cc(O)ccc21 ZINC000820218240 587035732 /nfs/dbraw/zinc/03/57/32/587035732.db2.gz INZXPVDIQKWDFW-UTCJRWHESA-N 0 1 243.266 2.173 20 0 BEADMN CC(C)=CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000820217763 587035983 /nfs/dbraw/zinc/03/59/83/587035983.db2.gz ATNXLBBVEWCKHL-UHFFFAOYSA-N 0 1 231.255 2.173 20 0 BEADMN C[C@H](NC(=O)CN1CCCC1)C1CCCCC1 ZINC000820239719 587037906 /nfs/dbraw/zinc/03/79/06/587037906.db2.gz CXHQNMCIDLUWFF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000820252885 587038176 /nfs/dbraw/zinc/03/81/76/587038176.db2.gz JUUAGWDDJYBBQI-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@]1(C)C=CCC1 ZINC000820279840 587040277 /nfs/dbraw/zinc/04/02/77/587040277.db2.gz SDINOZBVKTUSHV-ZYHUDNBSSA-N 0 1 211.305 2.437 20 0 BEADMN CC[C@H](C)CONC(=O)[C@]1(C)C=CCC1 ZINC000820279837 587040195 /nfs/dbraw/zinc/04/01/95/587040195.db2.gz SDINOZBVKTUSHV-CMPLNLGQSA-N 0 1 211.305 2.437 20 0 BEADMN Cc1cc(CC(=O)O[C@H]2CCC(C)(C)C2)n[nH]1 ZINC000820435312 587049006 /nfs/dbraw/zinc/04/90/06/587049006.db2.gz PHOZLZSFQCXXMG-NSHDSACASA-N 0 1 236.315 2.383 20 0 BEADMN CCCCCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000820526384 587052770 /nfs/dbraw/zinc/05/27/70/587052770.db2.gz FUEXDEUXENPESU-NSHDSACASA-N 0 1 249.358 2.211 20 0 BEADMN Cc1cnc(NC[C@@H](c2ccco2)N(C)C)o1 ZINC000820604928 587058790 /nfs/dbraw/zinc/05/87/90/587058790.db2.gz NIUCPRYSOGUTJY-JTQLQIEISA-N 0 1 235.287 2.291 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc(F)c2O)[C@@H]1C ZINC000820650605 587062148 /nfs/dbraw/zinc/06/21/48/587062148.db2.gz NYYQYOJWQLTAFD-HTQZYQBOSA-N 0 1 223.247 2.012 20 0 BEADMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)[O-])c1 ZINC000820865562 587078419 /nfs/dbraw/zinc/07/84/19/587078419.db2.gz RSVIQBZVERPZTR-GWCFXTLKSA-N 0 1 249.310 2.163 20 0 BEADMN COc1ccsc1C[N@H+](CC(=O)[O-])C(C)C ZINC000820881755 587079445 /nfs/dbraw/zinc/07/94/45/587079445.db2.gz TXRVNJZOJRCTGC-UHFFFAOYSA-N 0 1 243.328 2.052 20 0 BEADMN COc1ccsc1C[N@@H+](CC(=O)[O-])C(C)C ZINC000820881755 587079447 /nfs/dbraw/zinc/07/94/47/587079447.db2.gz TXRVNJZOJRCTGC-UHFFFAOYSA-N 0 1 243.328 2.052 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000821105673 587096270 /nfs/dbraw/zinc/09/62/70/587096270.db2.gz DBFCNZWGWDMSSY-WDEREUQCSA-N 0 1 249.358 2.210 20 0 BEADMN CC/C(C)=C(\C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840424228 587101073 /nfs/dbraw/zinc/10/10/73/587101073.db2.gz LNGSGHFJOHIGGW-FCZSHJHJSA-N 0 1 237.303 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2C(C)C)n[nH]1 ZINC000840460325 587105427 /nfs/dbraw/zinc/10/54/27/587105427.db2.gz QXLXCAPWDYDLNX-UJNFCWOMSA-N 0 1 237.303 2.009 20 0 BEADMN CCC[C@H](CC)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000821323871 587107285 /nfs/dbraw/zinc/10/72/85/587107285.db2.gz IZGNHHGWQJZFNY-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CC1(C(=O)Nc2cccc3[nH]nnc32)CC=CC1 ZINC000821363021 587112402 /nfs/dbraw/zinc/11/24/02/587112402.db2.gz FQQKHEYTJHBTBC-UHFFFAOYSA-N 0 1 242.282 2.253 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000821508636 587123710 /nfs/dbraw/zinc/12/37/10/587123710.db2.gz CHZVOTWIRIMZKA-GFCCVEGCSA-N 0 1 244.294 2.217 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000821508969 587123730 /nfs/dbraw/zinc/12/37/30/587123730.db2.gz JHASFDPFPRMBDF-CYBMUJFWSA-N 0 1 244.294 2.217 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000821512024 587124018 /nfs/dbraw/zinc/12/40/18/587124018.db2.gz YZTBCYDHBMKBIJ-QWHCGFSZSA-N 0 1 245.322 2.123 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1CCC1(C)C)N(C)C ZINC000821834610 587142076 /nfs/dbraw/zinc/14/20/76/587142076.db2.gz XVHVMTMIZCXZTJ-QWRGUYRKSA-N 0 1 227.348 2.304 20 0 BEADMN CCC(F)(F)C(=O)NCCN1CCCC[C@@H]1C ZINC000822102348 587152675 /nfs/dbraw/zinc/15/26/75/587152675.db2.gz OEPMZDPKVAIRPF-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)CN2CCCC2)CC1 ZINC000822317992 587161808 /nfs/dbraw/zinc/16/18/08/587161808.db2.gz VMXWFRUPEGUOLG-QWHCGFSZSA-N 0 1 238.375 2.167 20 0 BEADMN CN(CC[C@@H]1CC1(Cl)Cl)Cc1cc[nH]n1 ZINC000822616968 587177960 /nfs/dbraw/zinc/17/79/60/587177960.db2.gz KXVXEEDERSKPRA-MRVPVSSYSA-N 0 1 248.157 2.425 20 0 BEADMN C1[C@@H]2C[C@@H](c3nc([C@H]4CCCS4)no3)N[C@H]12 ZINC000822842257 587188955 /nfs/dbraw/zinc/18/89/55/587188955.db2.gz ZOYSHUHMERIZII-LURQLKTLSA-N 0 1 237.328 2.061 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000822903494 587191993 /nfs/dbraw/zinc/19/19/93/587191993.db2.gz KZTZVRGVDWNBIQ-WPRPVWTQSA-N 0 1 238.335 2.117 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C(C)(C)C(C)C)n[nH]1 ZINC000840477117 587204989 /nfs/dbraw/zinc/20/49/89/587204989.db2.gz NGWNRHOTCMUQAB-QMMMGPOBSA-N 0 1 239.319 2.400 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000823293121 587214494 /nfs/dbraw/zinc/21/44/94/587214494.db2.gz VEDSLVHIIWSNMX-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000823379499 587218768 /nfs/dbraw/zinc/21/87/68/587218768.db2.gz OUIHGROAMPHLLE-QWRGUYRKSA-N 0 1 236.363 2.084 20 0 BEADMN CCCN(CCC)Cc1nn(CC)nc1C ZINC000823379377 587218795 /nfs/dbraw/zinc/21/87/95/587218795.db2.gz FEYOXXCABZYZQU-UHFFFAOYSA-N 0 1 224.352 2.228 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nn(CC)nc1C ZINC000823458598 587223665 /nfs/dbraw/zinc/22/36/65/587223665.db2.gz AFKMQUJGWXMMIF-PWSUYJOCSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000823459478 587223778 /nfs/dbraw/zinc/22/37/78/587223778.db2.gz UZMNYWARBVLTQC-GHMZBOCLSA-N 0 1 236.363 2.227 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)CN1CCCC1 ZINC000823492864 587227248 /nfs/dbraw/zinc/22/72/48/587227248.db2.gz ATZIUCFEHZAHRP-JSGCOSHPSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000823573692 587231694 /nfs/dbraw/zinc/23/16/94/587231694.db2.gz OUNGCONEOUSGEA-ZWNOBZJWSA-N 0 1 233.311 2.469 20 0 BEADMN CC[C@@H](NC(=O)CN1CCCC1)[C@@H]1CC1(C)C ZINC000823683358 587235865 /nfs/dbraw/zinc/23/58/65/587235865.db2.gz UXNXJKAIQGGVON-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824039191 587250828 /nfs/dbraw/zinc/25/08/28/587250828.db2.gz RUJUPQSOLAFVDG-NEPJUHHUSA-N 0 1 238.331 2.169 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C=C1CCCC1 ZINC000824050547 587251712 /nfs/dbraw/zinc/25/17/12/587251712.db2.gz FYICUSZBUUOMEO-UHFFFAOYSA-N 0 1 233.315 2.177 20 0 BEADMN C/C(=C\C(=O)N(C)Cc1cn[nH]c1C)C1CC1 ZINC000824050577 587251966 /nfs/dbraw/zinc/25/19/66/587251966.db2.gz HBEFDVLAZMOSDC-RMKNXTFCSA-N 0 1 233.315 2.033 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C/C1CCCC1 ZINC000824063459 587252930 /nfs/dbraw/zinc/25/29/30/587252930.db2.gz QJLAGLDGTVUCAG-BQYQJAHWSA-N 0 1 247.342 2.423 20 0 BEADMN CC(C)[C@H](CC[N@@H+](C)C(C)C)NC(=O)[O-] ZINC000824100331 587255847 /nfs/dbraw/zinc/25/58/47/587255847.db2.gz USIALUGMDAVGOP-JTQLQIEISA-N 0 1 216.325 2.009 20 0 BEADMN CC(C)C[N@@H+](C)C1CCC(NC(=O)[O-])CC1 ZINC000824250823 587263024 /nfs/dbraw/zinc/26/30/24/587263024.db2.gz BWFZTICVZWXYQD-UHFFFAOYSA-N 0 1 228.336 2.153 20 0 BEADMN CCn1nc(C)c(CN2CC3(CCC3)C[C@H]2C)n1 ZINC000824291899 587264873 /nfs/dbraw/zinc/26/48/73/587264873.db2.gz JIIDDRYBXJYTJO-LLVKDONJSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CCC23CCCC3)n1 ZINC000824292104 587265164 /nfs/dbraw/zinc/26/51/64/587265164.db2.gz LHKYMQXZLBZKMC-ZDUSSCGKSA-N 0 1 248.374 2.419 20 0 BEADMN CCn1nc(C)c(CN(C)C2(C)CCCC2)n1 ZINC000824302580 587265356 /nfs/dbraw/zinc/26/53/56/587265356.db2.gz YHIFGIFYUNUPQM-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN CC(C)[N@@H+](CCNC(=O)[O-])Cc1cccs1 ZINC000824347102 587267255 /nfs/dbraw/zinc/26/72/55/587267255.db2.gz UCRBSXQRTLUAKO-UHFFFAOYSA-N 0 1 242.344 2.226 20 0 BEADMN CCC[C@@H](CC)C(=O)N(C)Cc1cnc[nH]1 ZINC000824355740 587267275 /nfs/dbraw/zinc/26/72/75/587267275.db2.gz VRXKHVQAONNRFW-SNVBAGLBSA-N 0 1 223.320 2.194 20 0 BEADMN CC[C@@H](C)CC(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840487427 587270461 /nfs/dbraw/zinc/27/04/61/587270461.db2.gz IYHQIYPZZLSJJW-HTQZYQBOSA-N 0 1 225.292 2.154 20 0 BEADMN CC(C)N(Cc1ccc2c(c1)COC2)C1COC1 ZINC000824472118 587271262 /nfs/dbraw/zinc/27/12/62/587271262.db2.gz LKOVBHOGRJXTMS-UHFFFAOYSA-N 0 1 247.338 2.326 20 0 BEADMN Cc1cc(CN2CC[C@](O)(C(F)F)C2)c(C)o1 ZINC000824726468 587284239 /nfs/dbraw/zinc/28/42/39/587284239.db2.gz NAPGPKMKXDTCCY-GFCCVEGCSA-N 0 1 245.269 2.098 20 0 BEADMN CC1(C)CCN1Cc1ccnn1CC1CC1 ZINC000824823368 587288505 /nfs/dbraw/zinc/28/85/05/587288505.db2.gz BAPNZKYCFIJDFJ-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CCc1nc(CN[C@@H]2CCCSC2)co1 ZINC000825056675 587300941 /nfs/dbraw/zinc/30/09/41/587300941.db2.gz IXPYWOKHWJPKEZ-SECBINFHSA-N 0 1 226.345 2.222 20 0 BEADMN CCc1nc(CN[C@@H]2CCO[C@@H](CC)C2)co1 ZINC000825061691 587301872 /nfs/dbraw/zinc/30/18/72/587301872.db2.gz IVJSPOMMAACXTR-PWSUYJOCSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(CN[C@H](C)[C@@H]2CCCOC2)co1 ZINC000825062024 587301876 /nfs/dbraw/zinc/30/18/76/587301876.db2.gz NJCMHJLNNVUYJH-GHMZBOCLSA-N 0 1 238.331 2.142 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cccnc1Cl ZINC000825091181 587303915 /nfs/dbraw/zinc/30/39/15/587303915.db2.gz VSWRULVMXLNICV-JTQLQIEISA-N 0 1 240.734 2.250 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC1CCC1 ZINC000825195804 587308892 /nfs/dbraw/zinc/30/88/92/587308892.db2.gz WIJIVVJDIZGPSE-ZYHUDNBSSA-N 0 1 240.347 2.297 20 0 BEADMN CC[C@H](NC(=O)c1cccc(F)c1O)C1CC1 ZINC000825376772 587317340 /nfs/dbraw/zinc/31/73/40/587317340.db2.gz VJRZIZVKBOQZCX-NSHDSACASA-N 0 1 237.274 2.450 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccccn1)C(=O)[O-] ZINC000825741599 587335330 /nfs/dbraw/zinc/33/53/30/587335330.db2.gz QFGBHYJGWZMMHR-YLBKJLTLSA-N 0 1 246.310 2.249 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCNC(=O)[O-] ZINC000825853179 587341669 /nfs/dbraw/zinc/34/16/69/587341669.db2.gz VBWBFXIAUCBORZ-YPMHNXCESA-N 0 1 248.326 2.132 20 0 BEADMN C[C@@H]1CCC[N@@H+](C/C=C\Cl)[C@H]1CNC(=O)[O-] ZINC000825924291 587345226 /nfs/dbraw/zinc/34/52/26/587345226.db2.gz GRCPLHQVZCRAHR-OSCQXZJKSA-N 0 1 246.738 2.107 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)[C@H]1C ZINC000825944013 587346974 /nfs/dbraw/zinc/34/69/74/587346974.db2.gz JITSNZHGVBFEFY-WOPDTQHZSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)[C@@H]1C ZINC000825944012 587346992 /nfs/dbraw/zinc/34/69/92/587346992.db2.gz JITSNZHGVBFEFY-UTUOFQBUSA-N 0 1 240.347 2.107 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000826128032 587351121 /nfs/dbraw/zinc/35/11/21/587351121.db2.gz AICOJEXTJNDPPH-CNELAYHGSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000826660102 587358222 /nfs/dbraw/zinc/35/82/22/587358222.db2.gz IUVJMFCHTNYACJ-SDDRHHMPSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000826660097 587358238 /nfs/dbraw/zinc/35/82/38/587358238.db2.gz IUVJMFCHTNYACJ-GRYCIOLGSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@H]1c2ccccc2CC[N@@H+]1CCNC(=O)[O-] ZINC000826701622 587359430 /nfs/dbraw/zinc/35/94/30/587359430.db2.gz WGMANXZHJTWONP-ZDUSSCGKSA-N 0 1 248.326 2.263 20 0 BEADMN Cc1cc(CN(C)Cc2cnc[nH]2)c(C)o1 ZINC000826770585 587361863 /nfs/dbraw/zinc/36/18/63/587361863.db2.gz YAANPZNLPFUVNA-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN CC[N@@H+](CCNC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000827146855 587370935 /nfs/dbraw/zinc/37/09/35/587370935.db2.gz ULNODOBKEJEDDZ-NSHDSACASA-N 0 1 236.315 2.337 20 0 BEADMN CC(C)CC(=O)CCN1CCSCC1 ZINC000827789193 587402474 /nfs/dbraw/zinc/40/24/74/587402474.db2.gz ZYJDGAQTGDBLLL-UHFFFAOYSA-N 0 1 215.362 2.041 20 0 BEADMN CC(C)CC(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000827808530 587403628 /nfs/dbraw/zinc/40/36/28/587403628.db2.gz JMYYEEIFLJUKSE-LBPRGKRZSA-N 0 1 241.375 2.491 20 0 BEADMN c1nnsc1CN1CCC2(CCCC2)C1 ZINC000827938508 587411255 /nfs/dbraw/zinc/41/12/55/587411255.db2.gz OBHKZJQHFPPIKZ-UHFFFAOYSA-N 0 1 223.345 2.304 20 0 BEADMN CN(C[C@@H]1CCC[N@H+]1CC1CCCC1)C(=O)[O-] ZINC000828222734 587425418 /nfs/dbraw/zinc/42/54/18/587425418.db2.gz DJALMWGLQXLUCS-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000828230509 587426157 /nfs/dbraw/zinc/42/61/57/587426157.db2.gz QJRMOCMZUNOERJ-ZDUSSCGKSA-N 0 1 248.326 2.261 20 0 BEADMN OCC1(NCc2csc(Cl)n2)CCCC1 ZINC000828392353 587439724 /nfs/dbraw/zinc/43/97/24/587439724.db2.gz UKAYQPWBYMXSCA-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN CC1(C)CCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000828412144 587440773 /nfs/dbraw/zinc/44/07/73/587440773.db2.gz ALGGQSDSKBCNRW-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000828603063 587452873 /nfs/dbraw/zinc/45/28/73/587452873.db2.gz AUHLMFLDCXXGOI-CMPLNLGQSA-N 0 1 249.310 2.305 20 0 BEADMN CC[C@@H](C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829099203 587483001 /nfs/dbraw/zinc/48/30/01/587483001.db2.gz BDPXDZGESVUGSB-SNVBAGLBSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCC[C@H](C2CN(C(=O)c3cnc[nH]3)C2)C1 ZINC000829129410 587483950 /nfs/dbraw/zinc/48/39/50/587483950.db2.gz IERBCPXAFIANLV-MNOVXSKESA-N 0 1 247.342 2.308 20 0 BEADMN Cc1cc(C)cc(CN(C)CC[S@](C)=O)c1 ZINC000829243306 587490085 /nfs/dbraw/zinc/49/00/85/587490085.db2.gz AVSGYOKQDFXKIO-INIZCTEOSA-N 0 1 239.384 2.114 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830308777 587545448 /nfs/dbraw/zinc/54/54/48/587545448.db2.gz MXXRPSISGRAWAW-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)C(C)(C)C ZINC000830545815 587557241 /nfs/dbraw/zinc/55/72/41/587557241.db2.gz OIABYXNREYWTNO-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000830612073 587560221 /nfs/dbraw/zinc/56/02/21/587560221.db2.gz TUHPENYFFIVDGS-QWRGUYRKSA-N 0 1 249.314 2.238 20 0 BEADMN C[C@@H]1CN(C(=O)OC2CCCC2)[C@@H](C)CN1C ZINC000831009783 587582422 /nfs/dbraw/zinc/58/24/22/587582422.db2.gz GJYNNCCKLBRJDA-MNOVXSKESA-N 0 1 240.347 2.090 20 0 BEADMN CCON(CC)C(=O)c1c(C)n[nH]c1C(C)C ZINC000831472078 587612192 /nfs/dbraw/zinc/61/21/92/587612192.db2.gz UVWPCHFZCPYZCF-UHFFFAOYSA-N 0 1 239.319 2.255 20 0 BEADMN CCN1CCN(C(=O)OC2CCCC2)[C@H](C)C1 ZINC000831495004 587614356 /nfs/dbraw/zinc/61/43/56/587614356.db2.gz JRRSYUHXTXBJFB-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN CC(C)COC(=O)CN1[C@@H](C)CCC1(C)C ZINC000832565436 587666826 /nfs/dbraw/zinc/66/68/26/587666826.db2.gz SXUHKTNIXIXGFX-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN Cc1nonc1CN1[C@H](C)CCC1(C)C ZINC000832564607 587667105 /nfs/dbraw/zinc/66/71/05/587667105.db2.gz IALSAJZWBHIJBL-MRVPVSSYSA-N 0 1 209.293 2.141 20 0 BEADMN Cc1ccc(CC[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000832929792 587695015 /nfs/dbraw/zinc/69/50/15/587695015.db2.gz DYIIGWJNDFYGJF-JSGCOSHPSA-N 0 1 247.338 2.190 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)c1ccccn1)C(=O)[O-] ZINC000833382759 587712000 /nfs/dbraw/zinc/71/20/00/587712000.db2.gz LMSYBHIZJNTGIU-PFEDMVJOSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C/C[N@H+]1CCc2ccc(F)cc2C1)C(=O)[O-] ZINC000833381931 587712091 /nfs/dbraw/zinc/71/20/91/587712091.db2.gz FTMYDURGAWQNHC-WMZJFQQLSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C/C[N@@H+]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833383813 587712780 /nfs/dbraw/zinc/71/27/80/587712780.db2.gz QEEHPIPVDJZBAH-QIMWGGGBSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833468264 587716117 /nfs/dbraw/zinc/71/61/17/587716117.db2.gz DGJDJNJYFKLLEL-SECBINFHSA-N 0 1 224.304 2.189 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833602697 587723424 /nfs/dbraw/zinc/72/34/24/587723424.db2.gz KNAIHPQUAIQPQG-ZJUUUORDSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1C(=O)[O-] ZINC000833629804 587725129 /nfs/dbraw/zinc/72/51/29/587725129.db2.gz MOSFKDBATMTOPI-CBAPKCEASA-N 0 1 243.690 2.086 20 0 BEADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])C2CC2)CC(C)(C)C1 ZINC000833625890 587725144 /nfs/dbraw/zinc/72/51/44/587725144.db2.gz VIHVQNMLQIRHID-KOLCDFICSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])C2CC2)CC(C)(C)C1 ZINC000833625893 587725227 /nfs/dbraw/zinc/72/52/27/587725227.db2.gz VIHVQNMLQIRHID-MWLCHTKSSA-N 0 1 225.332 2.218 20 0 BEADMN CCC[N@@H+](CCC(=O)c1ccccc1)CC(=O)[O-] ZINC000833650853 587727151 /nfs/dbraw/zinc/72/71/51/587727151.db2.gz FEVHKXITVJLLCS-UHFFFAOYSA-N 0 1 249.310 2.056 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCCCC1 ZINC000833695937 587728280 /nfs/dbraw/zinc/72/82/80/587728280.db2.gz BTQZXMHYDMOBQX-UHFFFAOYSA-N 0 1 236.315 2.477 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c[nH]1 ZINC000833779177 587731439 /nfs/dbraw/zinc/73/14/39/587731439.db2.gz KARFNWLNRIFMBU-YPMHNXCESA-N 0 1 248.326 2.477 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833795115 587732325 /nfs/dbraw/zinc/73/23/25/587732325.db2.gz UJHLGZYDFDUCDD-WDEREUQCSA-N 0 1 228.336 2.011 20 0 BEADMN CCCCC[N@H+]1C[C@@H](CNC(=O)[O-])C[C@@H]1C ZINC000833853632 587736034 /nfs/dbraw/zinc/73/60/34/587736034.db2.gz QYEZWLGOZZSSMA-WDEREUQCSA-N 0 1 228.336 2.155 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833853731 587736108 /nfs/dbraw/zinc/73/61/08/587736108.db2.gz SLHJORSFHZANTN-WDEREUQCSA-N 0 1 228.336 2.297 20 0 BEADMN O=C([O-])N[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000834182171 587748459 /nfs/dbraw/zinc/74/84/59/587748459.db2.gz LOVLQWVBCZRFEN-VXGBXAGGSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])Nc1cccc(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000834269344 587750453 /nfs/dbraw/zinc/75/04/53/587750453.db2.gz TYWWHWCVHUQSAL-CMPLNLGQSA-N 0 1 232.283 2.371 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C=C1CCCC1 ZINC000834469672 587755872 /nfs/dbraw/zinc/75/58/72/587755872.db2.gz MCUIGNQNZKPQFA-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CCC1CN(Cc2ccc(F)nc2C)C1 ZINC000835074612 587780293 /nfs/dbraw/zinc/78/02/93/587780293.db2.gz KOPXSJDFZUOAKX-UHFFFAOYSA-N 0 1 208.280 2.371 20 0 BEADMN CCc1cc(CNC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000836691044 587835980 /nfs/dbraw/zinc/83/59/80/587835980.db2.gz KMOLPTPOHGZYJJ-SNVBAGLBSA-N 0 1 247.342 2.335 20 0 BEADMN CC[C@H](C(=O)NOC(C)C)c1c(C)noc1C ZINC000836797965 587836974 /nfs/dbraw/zinc/83/69/74/587836974.db2.gz CUEMNURDGCOVGX-JTQLQIEISA-N 0 1 240.303 2.241 20 0 BEADMN CCC/C=C\C(=O)NCc1ccc2cncn2c1 ZINC000837859105 587900325 /nfs/dbraw/zinc/90/03/25/587900325.db2.gz YLIRHCYTSIOEOT-PLNGDYQASA-N 0 1 243.310 2.307 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C(C)(C)C(F)F)n[nH]1 ZINC000840536956 587910479 /nfs/dbraw/zinc/91/04/79/587910479.db2.gz GNWQVOLBHSFXHD-YFKPBYRVSA-N 0 1 247.245 2.009 20 0 BEADMN C[C@@H](Cc1ccco1)N[C@@H](C)c1ccn(C)n1 ZINC000840714325 587917754 /nfs/dbraw/zinc/91/77/54/587917754.db2.gz ZBHFPBZXTZLWSH-QWRGUYRKSA-N 0 1 233.315 2.295 20 0 BEADMN C[C@@H](NCCNc1ccccc1)c1ccn(C)n1 ZINC000840724332 587918333 /nfs/dbraw/zinc/91/83/33/587918333.db2.gz KALBSNLQNCCNFC-GFCCVEGCSA-N 0 1 244.342 2.183 20 0 BEADMN C[C@H](NC[C@@H]1CCC=CO1)c1cc2n(n1)CCC2 ZINC000840747774 587919473 /nfs/dbraw/zinc/91/94/73/587919473.db2.gz XSPOGDSQLVJBFS-AAEUAGOBSA-N 0 1 247.342 2.173 20 0 BEADMN CCn1ccnc1NCc1ccc(F)nc1C ZINC000840887958 587927908 /nfs/dbraw/zinc/92/79/08/587927908.db2.gz RMRARJWGNYUJOP-UHFFFAOYSA-N 0 1 234.278 2.358 20 0 BEADMN FCc1ccc(COCCc2c[nH]nn2)cc1 ZINC000842066165 587995014 /nfs/dbraw/zinc/99/50/14/587995014.db2.gz OFMDPWZKMNHBHX-UHFFFAOYSA-N 0 1 235.262 2.034 20 0 BEADMN ClC1(Cl)C[C@@H]1CCSc1cn[nH]n1 ZINC000842566153 588042959 /nfs/dbraw/zinc/04/29/59/588042959.db2.gz SCMBMJVJDFTGCE-YFKPBYRVSA-N 0 1 238.143 2.481 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2cccc(N)c2)no1 ZINC000842622789 588045971 /nfs/dbraw/zinc/04/59/71/588045971.db2.gz CLNLCOMTJHDEPB-VIFPVBQESA-N 0 1 246.314 2.379 20 0 BEADMN Nc1cccc(-c2noc(C3(N)CCCC3)n2)c1 ZINC000842624378 588046046 /nfs/dbraw/zinc/04/60/46/588046046.db2.gz ZLFSACYLYMGRRI-UHFFFAOYSA-N 0 1 244.298 2.047 20 0 BEADMN C[C@H]1CN(CN(C)CCC(C)(C)C)C(=O)[C@H]1C ZINC000842630364 588047207 /nfs/dbraw/zinc/04/72/07/588047207.db2.gz CCWLPUZRGQRAJH-RYUDHWBXSA-N 0 1 240.391 2.426 20 0 BEADMN CCCCC(N)=NOCCC[C@@H]1CCOC1 ZINC000842648449 588048853 /nfs/dbraw/zinc/04/88/53/588048853.db2.gz STOQBROHUOVKFT-LLVKDONJSA-N 0 1 228.336 2.492 20 0 BEADMN Cc1cc(Cl)nc(CN[C@H]2CO[C@@H](C)C2)c1 ZINC000842702721 588054435 /nfs/dbraw/zinc/05/44/35/588054435.db2.gz KSEFQTCIADRIOP-GXSJLCMTSA-N 0 1 240.734 2.310 20 0 BEADMN FCC(CF)NC1CCC(F)(F)CC1 ZINC000842708844 588055036 /nfs/dbraw/zinc/05/50/36/588055036.db2.gz GZZNUYMBMCFIKT-UHFFFAOYSA-N 0 1 213.218 2.462 20 0 BEADMN CC1=C(C)C[C@H](C(=O)OCCc2c[nH]nn2)CC1 ZINC000842723119 588055729 /nfs/dbraw/zinc/05/57/29/588055729.db2.gz XMQVLELTLAAQEV-LLVKDONJSA-N 0 1 249.314 2.027 20 0 BEADMN CC1=C(C)C[C@H](C(=O)OCCc2cnn[nH]2)CC1 ZINC000842723119 588055731 /nfs/dbraw/zinc/05/57/31/588055731.db2.gz XMQVLELTLAAQEV-LLVKDONJSA-N 0 1 249.314 2.027 20 0 BEADMN CCCN[C@@H](C)c1nc(CCCCOC)no1 ZINC000843185576 588090800 /nfs/dbraw/zinc/09/08/00/588090800.db2.gz WGRDDHVLKVEMIA-JTQLQIEISA-N 0 1 241.335 2.099 20 0 BEADMN CCNCc1nc(-c2ccc(F)cc2F)no1 ZINC000843234303 588094323 /nfs/dbraw/zinc/09/43/23/588094323.db2.gz FPTFWNSKTHWWEY-UHFFFAOYSA-N 0 1 239.225 2.124 20 0 BEADMN CCc1cc(CNC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000843796742 588140558 /nfs/dbraw/zinc/14/05/58/588140558.db2.gz VEDWGTOOYULBNY-FPLPWBNLSA-N 0 1 247.342 2.335 20 0 BEADMN CCc1cc(CNC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC000843794822 588140875 /nfs/dbraw/zinc/14/08/75/588140875.db2.gz CCKWIOVUTYGZKR-UHFFFAOYSA-N 0 1 247.342 2.169 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1(F)CC1 ZINC000843845586 588144835 /nfs/dbraw/zinc/14/48/35/588144835.db2.gz INOZRBHLXOKVDE-UHFFFAOYSA-N 0 1 233.193 2.096 20 0 BEADMN CCCN(C(=O)C(C)=C(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000843992358 588153688 /nfs/dbraw/zinc/15/36/88/588153688.db2.gz RCONPPCZNLLSIB-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN CCON(C(=O)c1cn[nH]c1C1CC1)C(C)C ZINC000844075627 588160423 /nfs/dbraw/zinc/16/04/23/588160423.db2.gz RDHSMTHEOMRCRN-UHFFFAOYSA-N 0 1 237.303 2.089 20 0 BEADMN CCCONC(=O)[C@H]1CCOc2ccccc21 ZINC000844084184 588162765 /nfs/dbraw/zinc/16/27/65/588162765.db2.gz FGWTZJOMSGDGFR-NSHDSACASA-N 0 1 235.283 2.011 20 0 BEADMN Cn1ccnc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844439183 588193671 /nfs/dbraw/zinc/19/36/71/588193671.db2.gz NWDGHHYQPIATLJ-LLVKDONJSA-N 0 1 241.285 2.041 20 0 BEADMN Cn1ccnc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000844439185 588193961 /nfs/dbraw/zinc/19/39/61/588193961.db2.gz NWDGHHYQPIATLJ-NSHDSACASA-N 0 1 241.285 2.041 20 0 BEADMN Cc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(C)n1 ZINC000844461057 588196952 /nfs/dbraw/zinc/19/69/52/588196952.db2.gz ZWABUCMZKUUDMI-TXEJJXNPSA-N 0 1 238.281 2.395 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)oc1C ZINC000844935370 588219447 /nfs/dbraw/zinc/21/94/47/588219447.db2.gz CNXOJRVKSNKWNE-LLVKDONJSA-N 0 1 225.288 2.191 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC000845497498 588230881 /nfs/dbraw/zinc/23/08/81/588230881.db2.gz YSNZKZDPFBQUND-XYPYZODXSA-N 0 1 249.358 2.415 20 0 BEADMN CCNCc1nc(-c2ccccc2OCC)no1 ZINC000106016781 588242693 /nfs/dbraw/zinc/24/26/93/588242693.db2.gz YNSHAWSLIHQLOV-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CSCCC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845736915 588242940 /nfs/dbraw/zinc/24/29/40/588242940.db2.gz DTJSISNNORNBCU-SNVBAGLBSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC=CO2)[C@H](C)CO1 ZINC000846043213 588254793 /nfs/dbraw/zinc/25/47/93/588254793.db2.gz JKVLQVIKLRKQGL-JHJVBQTASA-N 0 1 225.332 2.178 20 0 BEADMN Cc1csc(CN[C@H](C)COCC2CC2)n1 ZINC000846072223 588255566 /nfs/dbraw/zinc/25/55/66/588255566.db2.gz DRCNAFVSSAIAOJ-SECBINFHSA-N 0 1 240.372 2.356 20 0 BEADMN FC1(F)C[C@@]12CCCN(Cc1cnccn1)C2 ZINC000846105962 588256769 /nfs/dbraw/zinc/25/67/69/588256769.db2.gz ZQEAJKIGBVLKDX-LLVKDONJSA-N 0 1 239.269 2.098 20 0 BEADMN Cc1ccoc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110489 588256927 /nfs/dbraw/zinc/25/69/27/588256927.db2.gz GXGHOFUADVZBJZ-DTORHVGOSA-N 0 1 213.227 2.285 20 0 BEADMN CCC(C)(C)CC[N@@H+](CCOC)CCC(=O)[O-] ZINC000846272308 588263406 /nfs/dbraw/zinc/26/34/06/588263406.db2.gz WFKOQPNQKKRRQC-UHFFFAOYSA-N 0 1 245.363 2.236 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(CF)cc1 ZINC000846266338 588263537 /nfs/dbraw/zinc/26/35/37/588263537.db2.gz YTFLPSQJTNKATE-UHFFFAOYSA-N 0 1 225.263 2.063 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc(Cl)c(F)c1 ZINC000846901904 588296343 /nfs/dbraw/zinc/29/63/43/588296343.db2.gz CFJJGNAHERSAIR-QMMMGPOBSA-N 0 1 246.713 2.341 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846928858 588297156 /nfs/dbraw/zinc/29/71/56/588297156.db2.gz FQQLCUNITXEUSK-VIFPVBQESA-N 0 1 246.713 2.077 20 0 BEADMN CC(=O)C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000846954824 588298387 /nfs/dbraw/zinc/29/83/87/588298387.db2.gz WTWDFQSRCUBOHD-NSHDSACASA-N 0 1 232.327 2.444 20 0 BEADMN CC(=O)C1CCN([C@H](C)c2ccncc2)CC1 ZINC000846950653 588298446 /nfs/dbraw/zinc/29/84/46/588298446.db2.gz LDRHWSJEBXCGRS-LLVKDONJSA-N 0 1 232.327 2.444 20 0 BEADMN Cc1ccnc([C@@H]2CCN(CCF)C2)c1 ZINC000846966986 588298757 /nfs/dbraw/zinc/29/87/57/588298757.db2.gz CSMSQDFRMZUKOY-LLVKDONJSA-N 0 1 208.280 2.149 20 0 BEADMN O=C1CCN(CCCCCCO)C2(CCC2)C1 ZINC000846993673 588300875 /nfs/dbraw/zinc/30/08/75/588300875.db2.gz MSZATVGWHSHIJM-UHFFFAOYSA-N 0 1 239.359 2.127 20 0 BEADMN C/C=C(/C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013327 588347424 /nfs/dbraw/zinc/34/74/24/588347424.db2.gz WMHLLRPAHOQGQM-BAQGIRSFSA-N 0 1 220.272 2.297 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)C(C)(C)C1 ZINC000848033925 588348812 /nfs/dbraw/zinc/34/88/12/588348812.db2.gz RYWFRBIAYNCHSU-ZRDIBKRKSA-N 0 1 238.375 2.285 20 0 BEADMN C=C=CCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000848116056 588358366 /nfs/dbraw/zinc/35/83/66/588358366.db2.gz ADTAVBGGOXWWQM-UHFFFAOYSA-N 0 1 248.326 2.192 20 0 BEADMN Cc1ccc(CON=C(N)C(C)C)cn1 ZINC000848510762 588388613 /nfs/dbraw/zinc/38/86/13/588388613.db2.gz GJYRHQIFFUIRSV-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN CC(C)NC(=O)CNCc1ccccc1C(C)C ZINC000848525203 588392308 /nfs/dbraw/zinc/39/23/08/588392308.db2.gz LYNBHYASPFOOQD-UHFFFAOYSA-N 0 1 248.370 2.424 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@H]1CCC=CO1)CCC2 ZINC000848547972 588395788 /nfs/dbraw/zinc/39/57/88/588395788.db2.gz SSTSLWCZQMAXPM-VXGBXAGGSA-N 0 1 233.315 2.000 20 0 BEADMN Cn1c(CN[C@@H]2CCCC[C@H]2F)cnc1Cl ZINC000848556193 588397288 /nfs/dbraw/zinc/39/72/88/588397288.db2.gz PHTFWTPMSPPJFT-NXEZZACHSA-N 0 1 245.729 2.444 20 0 BEADMN COC[C@@H](NCc1noc2ccccc12)C1CC1 ZINC000848571875 588399032 /nfs/dbraw/zinc/39/90/32/588399032.db2.gz FDYCTIOSNADCLN-CYBMUJFWSA-N 0 1 246.310 2.342 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(F)cc2F)no1 ZINC000848631252 588403434 /nfs/dbraw/zinc/40/34/34/588403434.db2.gz YQUIEVOGVBLFBU-LURJTMIESA-N 0 1 239.225 2.295 20 0 BEADMN C[C@@H]1CCCN1Cc1cnc(Cl)n1C ZINC000848884380 588416704 /nfs/dbraw/zinc/41/67/04/588416704.db2.gz KPHVQMLYCONSNR-MRVPVSSYSA-N 0 1 213.712 2.058 20 0 BEADMN CC[C@@H]1CCCN1Cc1cnc(Cl)n1C ZINC000848883673 588417345 /nfs/dbraw/zinc/41/73/45/588417345.db2.gz QIXPMOZXUVGOCJ-SECBINFHSA-N 0 1 227.739 2.448 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cnc(Cl)n2C)C1 ZINC000848888628 588417750 /nfs/dbraw/zinc/41/77/50/588417750.db2.gz XXAQYQFMAHJKIQ-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H](C1CC1)N(C)CC(=O)OCc1ccccc1 ZINC000108360950 588461592 /nfs/dbraw/zinc/46/15/92/588461592.db2.gz SQTUKGAJORAVSV-LBPRGKRZSA-N 0 1 247.338 2.460 20 0 BEADMN CN(C)C(=O)[C@@H](N[C@@H]1C=CCC1)c1ccccc1 ZINC000849323051 588472329 /nfs/dbraw/zinc/47/23/29/588472329.db2.gz MAZPMGCWNSAUFB-KGLIPLIRSA-N 0 1 244.338 2.124 20 0 BEADMN C/C(=C/C[N@H+]1CCc2ccc(C)cc2C1)C(=O)[O-] ZINC000849344252 588474043 /nfs/dbraw/zinc/47/40/43/588474043.db2.gz GCEPEOYCYQJKPC-XGICHPGQSA-N 0 1 245.322 2.384 20 0 BEADMN CCC/C=C\C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849693985 588487031 /nfs/dbraw/zinc/48/70/31/588487031.db2.gz BPRJHZLWTOCEFO-UFGYOYAJSA-N 0 1 237.303 2.328 20 0 BEADMN Cc1nc(COC(=O)[C@H]2CCCC3(CC3)C2)n[nH]1 ZINC000850205905 588528807 /nfs/dbraw/zinc/52/88/07/588528807.db2.gz IPWZTIJVBDYPCW-JTQLQIEISA-N 0 1 249.314 2.127 20 0 BEADMN Cc1c[nH]c(CNC[C@]2(C)CC2(Cl)Cl)n1 ZINC000850316056 588536618 /nfs/dbraw/zinc/53/66/18/588536618.db2.gz YMNCOICFIKMDCE-VIFPVBQESA-N 0 1 248.157 2.392 20 0 BEADMN O[C@@H]1C[C@@H](NCC2(F)CC2)c2ccccc21 ZINC000850373640 588541504 /nfs/dbraw/zinc/54/15/04/588541504.db2.gz IEGNEULFFKAXLO-VXGBXAGGSA-N 0 1 221.275 2.257 20 0 BEADMN C[C@@H](O)[C@H](NCc1ccoc1)c1ccccc1 ZINC000850419657 588544763 /nfs/dbraw/zinc/54/47/63/588544763.db2.gz GJKNNSMGIJKEFY-RISCZKNCSA-N 0 1 231.295 2.491 20 0 BEADMN CC[C@H](N[C@@H]1C=CCC1)c1nccn1C ZINC000850506456 588553533 /nfs/dbraw/zinc/55/35/33/588553533.db2.gz BIEKWGIYBOSEGV-MNOVXSKESA-N 0 1 205.305 2.179 20 0 BEADMN c1csc([C@@H](N[C@@H]2C=CCC2)c2nnc[nH]2)c1 ZINC000850509550 588554499 /nfs/dbraw/zinc/55/44/99/588554499.db2.gz RJRASDWZGBTUDF-MWLCHTKSSA-N 0 1 246.339 2.264 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H]2C)c1F ZINC000850536115 588558545 /nfs/dbraw/zinc/55/85/45/588558545.db2.gz CMPITSUYCJJERK-DTWKUNHWSA-N 0 1 224.279 2.117 20 0 BEADMN C[C@H](NCc1ncccn1)C(C)(C)C(F)F ZINC000850552125 588559772 /nfs/dbraw/zinc/55/97/72/588559772.db2.gz LRBYOPRSYWFWFO-QMMMGPOBSA-N 0 1 229.274 2.246 20 0 BEADMN CCCN[C@@H](C)c1nc(Cc2ccccn2)no1 ZINC000109499617 588563895 /nfs/dbraw/zinc/56/38/95/588563895.db2.gz OXFQDYQBMSHXAG-JTQLQIEISA-N 0 1 246.314 2.116 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CC(C)C1)N(C)C ZINC000851463926 588606197 /nfs/dbraw/zinc/60/61/97/588606197.db2.gz KVUPBEWNZQYDAE-MCIGGMRASA-N 0 1 227.348 2.162 20 0 BEADMN c1nonc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000851713834 588616004 /nfs/dbraw/zinc/61/60/04/588616004.db2.gz BEMDFAQMNHVUHB-CQSZACIVSA-N 0 1 243.310 2.277 20 0 BEADMN CN(Cc1ccsc1)C[C@@H](O)c1ccccn1 ZINC000851716377 588616141 /nfs/dbraw/zinc/61/61/41/588616141.db2.gz LUPNLUIXNNAGSX-CYBMUJFWSA-N 0 1 248.351 2.309 20 0 BEADMN CN(Cc1ccsc1)C[C@H](O)c1ccccn1 ZINC000851716378 588616195 /nfs/dbraw/zinc/61/61/95/588616195.db2.gz LUPNLUIXNNAGSX-ZDUSSCGKSA-N 0 1 248.351 2.309 20 0 BEADMN Cc1occc1CN(C)C[C@@H](O)c1ccccn1 ZINC000851736270 588620531 /nfs/dbraw/zinc/62/05/31/588620531.db2.gz OOQGSVKJQOIDLP-CQSZACIVSA-N 0 1 246.310 2.148 20 0 BEADMN Cc1ncsc1CN(C)CCOC(F)F ZINC000851765083 588625129 /nfs/dbraw/zinc/62/51/29/588625129.db2.gz OWVFWMDWCDVEAU-UHFFFAOYSA-N 0 1 236.287 2.123 20 0 BEADMN COC[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851771513 588625379 /nfs/dbraw/zinc/62/53/79/588625379.db2.gz HVRUIRWHLXSFCW-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN C[C@H]1SCCN(CCOC(F)F)[C@H]1C ZINC000851777486 588626860 /nfs/dbraw/zinc/62/68/60/588626860.db2.gz SYKQXMCSMUNOTH-JGVFFNPUSA-N 0 1 225.304 2.051 20 0 BEADMN CCOC[C@@H]1CCN(Cc2cccc(F)n2)C1 ZINC000851798189 588630010 /nfs/dbraw/zinc/63/00/10/588630010.db2.gz PAPADXDWQIXVAA-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1cnon1 ZINC000851817651 588632968 /nfs/dbraw/zinc/63/29/68/588632968.db2.gz GYLBWUBTHDTKGN-LBPRGKRZSA-N 0 1 223.320 2.470 20 0 BEADMN Cn1cccc1[C@@H]1CCCN1CCOC(F)F ZINC000851819997 588633466 /nfs/dbraw/zinc/63/34/66/588633466.db2.gz OBZGAPOPVARQFM-NSHDSACASA-N 0 1 244.285 2.401 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1Cc1cnon1 ZINC000851848387 588634578 /nfs/dbraw/zinc/63/45/78/588634578.db2.gz JBNABTJXPNDTTF-JQWIXIFHSA-N 0 1 223.320 2.470 20 0 BEADMN CO[C@@H](CN1CCC[C@@H]1c1ncc[nH]1)C1CCC1 ZINC000851887944 588640558 /nfs/dbraw/zinc/64/05/58/588640558.db2.gz YFDNFKMRYKBQQH-OLZOCXBDSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1cccc([C@@H]2CCN(Cc3cnon3)C2)c1 ZINC000851925154 588644593 /nfs/dbraw/zinc/64/45/93/588644593.db2.gz UEOTZOPMEXGCRU-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@H](C)c2nnc(C)s2)C1 ZINC000851935646 588646013 /nfs/dbraw/zinc/64/60/13/588646013.db2.gz FRLQUJPZMBOVDO-FKTZTGRPSA-N 0 1 241.360 2.065 20 0 BEADMN CCS[C@@H]1CCCC[C@H]1NCc1cnon1 ZINC000851950902 588646993 /nfs/dbraw/zinc/64/69/93/588646993.db2.gz ANROZFMSTSEUSL-GHMZBOCLSA-N 0 1 241.360 2.224 20 0 BEADMN CC(C)(C)[C@H]1CCCN(Cc2cnon2)C1 ZINC000852004163 588654457 /nfs/dbraw/zinc/65/44/57/588654457.db2.gz PXZKFFDIGBVQFO-JTQLQIEISA-N 0 1 223.320 2.328 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@](C)(F)C2)n[nH]1 ZINC000852095858 588662129 /nfs/dbraw/zinc/66/21/29/588662129.db2.gz FPQRDTHWYRWTRX-CABZTGNLSA-N 0 1 240.326 2.252 20 0 BEADMN CO[C@H]1CCN(Cc2cccc(F)n2)C[C@@H]1C ZINC000852136218 588666244 /nfs/dbraw/zinc/66/62/44/588666244.db2.gz VPQYPZGLGHTWAX-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN CCn1ncc(CN2[C@H](C)CCC2(C)C)n1 ZINC000852148479 588667360 /nfs/dbraw/zinc/66/73/60/588667360.db2.gz YCKTYYUMHVHFAR-SNVBAGLBSA-N 0 1 222.336 2.061 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cccc(F)n1 ZINC000852148228 588667390 /nfs/dbraw/zinc/66/73/90/588667390.db2.gz RBTGIDVIRAINFK-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN OCCC[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000852149804 588667413 /nfs/dbraw/zinc/66/74/13/588667413.db2.gz VSAJQOBFICQDML-SECBINFHSA-N 0 1 238.158 2.400 20 0 BEADMN C[C@@H]1[C@@H](CO)CCCN1CC=C(Cl)Cl ZINC000852178466 588670228 /nfs/dbraw/zinc/67/02/28/588670228.db2.gz VEKQNGMCUWGNCQ-RKDXNWHRSA-N 0 1 238.158 2.398 20 0 BEADMN c1nonc1CN1CC[C@H](C2CCCC2)C1 ZINC000852185198 588670621 /nfs/dbraw/zinc/67/06/21/588670621.db2.gz VVIIOVPITROWGO-NSHDSACASA-N 0 1 221.304 2.082 20 0 BEADMN C[C@H](NCc1cnon1)C1CCC(F)(F)CC1 ZINC000852218495 588673567 /nfs/dbraw/zinc/67/35/67/588673567.db2.gz JHURTMWXSSOJPL-QMMMGPOBSA-N 0 1 245.273 2.373 20 0 BEADMN CN(C/C=C\Cl)[C@H](CO)Cc1ccccc1 ZINC000852289210 588676242 /nfs/dbraw/zinc/67/62/42/588676242.db2.gz LEYYDGKLYIAZIT-UJZCVKTISA-N 0 1 239.746 2.274 20 0 BEADMN CC[C@@H](C)N(CC)Cc1nccc(C)n1 ZINC000852291535 588676951 /nfs/dbraw/zinc/67/69/51/588676951.db2.gz XFAGLVSHKHDBEE-LLVKDONJSA-N 0 1 207.321 2.405 20 0 BEADMN O=C1OCC[C@@H]1N1CC[C@H](C2CCCCC2)C1 ZINC000852491307 588685565 /nfs/dbraw/zinc/68/55/65/588685565.db2.gz ZMRCNICQCQEIDJ-STQMWFEESA-N 0 1 237.343 2.204 20 0 BEADMN CN(C/C=C/Cl)CC1=CCCOC1 ZINC000852518744 588687268 /nfs/dbraw/zinc/68/72/68/588687268.db2.gz NALOIQHDRLTPHZ-HWKANZROSA-N 0 1 201.697 2.017 20 0 BEADMN C[C@@]12COC[C@H]1CN(CC=C(Cl)Cl)C2 ZINC000852534435 588688627 /nfs/dbraw/zinc/68/86/27/588688627.db2.gz AHZSATZSIPXFDR-PSASIEDQSA-N 0 1 236.142 2.274 20 0 BEADMN CC[C@@H]1COC[C@H]1NCc1cc(C2CC2)no1 ZINC000852554832 588689562 /nfs/dbraw/zinc/68/95/62/588689562.db2.gz DKIHLOLNZQTTFB-NOZJJQNGSA-N 0 1 236.315 2.067 20 0 BEADMN CCCCCCNC(=O)CN1CC[C@H]2C[C@H]2C1 ZINC000852634275 588693432 /nfs/dbraw/zinc/69/34/32/588693432.db2.gz FZXCMEWLSRJGMM-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN Cl/C=C(/Cl)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852666762 588694671 /nfs/dbraw/zinc/69/46/71/588694671.db2.gz RUUYGQTYCZJTKC-AZEDZEBNSA-N 0 1 236.142 2.274 20 0 BEADMN CCC(CC)CCCN(C)[C@@H]1CCOC1=O ZINC000852671696 588695080 /nfs/dbraw/zinc/69/50/80/588695080.db2.gz XPJGGLUSWUPVSR-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nonc1CN(CCC1CC1)CC1CC1 ZINC000852717059 588698024 /nfs/dbraw/zinc/69/80/24/588698024.db2.gz YXNLAUXXFDZCCZ-UHFFFAOYSA-N 0 1 235.331 2.390 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000852771059 588701313 /nfs/dbraw/zinc/70/13/13/588701313.db2.gz AFWYNJQWRCHZLL-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CC12CC(C1)CN2Cc1ccc(F)cn1 ZINC000852787720 588702768 /nfs/dbraw/zinc/70/27/68/588702768.db2.gz YIDXYOARFQCPAH-UHFFFAOYSA-N 0 1 206.264 2.205 20 0 BEADMN O=C(CCC1CCCC1)OCCN1CCC1 ZINC000861385299 589162174 /nfs/dbraw/zinc/16/21/74/589162174.db2.gz QEFATRLSVPFZSX-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CCCC[C@H](CC)C(=O)OCCN1CCC1 ZINC000861384826 589162239 /nfs/dbraw/zinc/16/22/39/589162239.db2.gz YYKIKFVVFOIXHN-LBPRGKRZSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)OCCN1CCC1 ZINC000861386955 589162538 /nfs/dbraw/zinc/16/25/38/589162538.db2.gz SDUHVAOOWGXSJP-QWHCGFSZSA-N 0 1 239.359 2.452 20 0 BEADMN C/C(=C/C(=O)OCCN1CCC1)c1ccccc1 ZINC000861385602 589162558 /nfs/dbraw/zinc/16/25/58/589162558.db2.gz UGGSFBLDLVYDAK-SEYXRHQNSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861385742 589162564 /nfs/dbraw/zinc/16/25/64/589162564.db2.gz XRJITBIQIONOFU-CYBMUJFWSA-N 0 1 247.338 2.429 20 0 BEADMN C/C(=C\C(=O)OCCN1CCC1)c1ccccc1 ZINC000861385601 589162704 /nfs/dbraw/zinc/16/27/04/589162704.db2.gz UGGSFBLDLVYDAK-OUKQBFOZSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@@H](C(=O)OCCN1CCC1)c1ccsc1 ZINC000861388029 589162912 /nfs/dbraw/zinc/16/29/12/589162912.db2.gz QIRBQHDFFTXLBW-SNVBAGLBSA-N 0 1 239.340 2.101 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000861389929 589163392 /nfs/dbraw/zinc/16/33/92/589163392.db2.gz CPRJVEVZEMGKOT-CHWSQXEVSA-N 0 1 237.343 2.062 20 0 BEADMN CC1(C)CCC[C@H]1C(=O)OCCN1CCC1 ZINC000861389823 589163427 /nfs/dbraw/zinc/16/34/27/589163427.db2.gz ZBSJQKQVVBKRAJ-NSHDSACASA-N 0 1 225.332 2.062 20 0 BEADMN Cc1cc(C)cc(CC(=O)OCCN2CCC2)c1 ZINC000861389867 589163475 /nfs/dbraw/zinc/16/34/75/589163475.db2.gz ASTAIUGTPNWDQM-UHFFFAOYSA-N 0 1 247.338 2.095 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)OCCN1CCC1 ZINC000861391188 589163994 /nfs/dbraw/zinc/16/39/94/589163994.db2.gz QBJXZOJCSXPTEB-NWDGAFQWSA-N 0 1 225.332 2.062 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)OCCN2CCC2)CC1 ZINC000861390923 589164125 /nfs/dbraw/zinc/16/41/25/589164125.db2.gz VUUUHIPEBQHNGD-ZDUSSCGKSA-N 0 1 237.343 2.372 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)OCCN1CCC1 ZINC000861390349 589164135 /nfs/dbraw/zinc/16/41/35/589164135.db2.gz DQIHNKMZGPWHHN-QWHCGFSZSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@H]1CCC[C@]1(C)C(=O)OCCN1CCC1 ZINC000861391053 589164245 /nfs/dbraw/zinc/16/42/45/589164245.db2.gz OZTKGZNXIPRSBB-AAEUAGOBSA-N 0 1 225.332 2.062 20 0 BEADMN CCCC[C@H](C)C(=O)OCCN1CCC1 ZINC000861391409 589164713 /nfs/dbraw/zinc/16/47/13/589164713.db2.gz CLWXPOAOHLJJSU-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN CC[C@H](C)CONC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000861809072 589178728 /nfs/dbraw/zinc/17/87/28/589178728.db2.gz PBJCVHQIERMDPC-HTFCKZLJSA-N 0 1 243.347 2.140 20 0 BEADMN Cc1ncc(CNC[C@H](O)c2cccc(C)c2)o1 ZINC000862285553 589199693 /nfs/dbraw/zinc/19/96/93/589199693.db2.gz UUIBHGXJGKIYNR-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1c(CN2CC(C3CC3)C2)ccnc1F ZINC000862371067 589205252 /nfs/dbraw/zinc/20/52/52/589205252.db2.gz BHOPLGNZFPRMIT-UHFFFAOYSA-N 0 1 220.291 2.371 20 0 BEADMN FC1(F)CCCN(Cc2cncnc2)CC1 ZINC000862466280 589216409 /nfs/dbraw/zinc/21/64/09/589216409.db2.gz FXPOOUOCOWAUQW-UHFFFAOYSA-N 0 1 227.258 2.098 20 0 BEADMN C/C=C\CNCc1ccc(/C=C/C(=O)OC)o1 ZINC000862531514 589218093 /nfs/dbraw/zinc/21/80/93/589218093.db2.gz ZXQGIURUCWXOON-ODYTWBPASA-N 0 1 235.283 2.132 20 0 BEADMN Cc1nnc(CNC[C@H]2C(C)(C)C2(F)F)s1 ZINC000864052890 589335471 /nfs/dbraw/zinc/33/54/71/589335471.db2.gz QYKIQOSHESWWJL-ZETCQYMHSA-N 0 1 247.314 2.227 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000864072046 589339065 /nfs/dbraw/zinc/33/90/65/589339065.db2.gz MCYBBGXJCYLGQM-QMTHXVAHSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1cc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000120166280 589388900 /nfs/dbraw/zinc/38/89/00/589388900.db2.gz IPJDGWABAWXPJC-OAHLLOKOSA-N 0 1 248.370 2.470 20 0 BEADMN CCCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000865045606 589406115 /nfs/dbraw/zinc/40/61/15/589406115.db2.gz COTPCDVCNLSNPR-UHFFFAOYSA-N 0 1 241.722 2.423 20 0 BEADMN CCc1nc(S[C@@H](C)C(=O)C(C)(C)C)n[nH]1 ZINC000865349672 589423416 /nfs/dbraw/zinc/42/34/16/589423416.db2.gz KJRHCESLFOGWBB-ZETCQYMHSA-N 0 1 241.360 2.463 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)C(=O)C(C)(C)C)n1 ZINC000865349672 589423418 /nfs/dbraw/zinc/42/34/18/589423418.db2.gz KJRHCESLFOGWBB-ZETCQYMHSA-N 0 1 241.360 2.463 20 0 BEADMN CCc1csc(SCCc2c[nH]nn2)n1 ZINC000865387101 589430694 /nfs/dbraw/zinc/43/06/94/589430694.db2.gz XQDBPJNXDOITFA-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CSC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865468272 589438510 /nfs/dbraw/zinc/43/85/10/589438510.db2.gz FXUHGACSAOXWME-SECBINFHSA-N 0 1 225.361 2.059 20 0 BEADMN FC(F)(F)CNc1ccncc1C(F)(F)F ZINC000865467056 589438676 /nfs/dbraw/zinc/43/86/76/589438676.db2.gz DKFKIGWEXSNNAD-UHFFFAOYSA-N 0 1 244.138 2.497 20 0 BEADMN CC[C@](C)(O)CNc1ccncc1C(F)(F)F ZINC000865496644 589440951 /nfs/dbraw/zinc/44/09/51/589440951.db2.gz CRHVULJTOPOQSC-JTQLQIEISA-N 0 1 248.248 2.095 20 0 BEADMN CO[C@@H](C)CCNc1ccncc1C(F)(F)F ZINC000865499210 589441809 /nfs/dbraw/zinc/44/18/09/589441809.db2.gz GRTVSKVOGLXTFU-QMMMGPOBSA-N 0 1 248.248 2.359 20 0 BEADMN FC(F)(F)c1cnccc1N[C@@H]1CCCOC1 ZINC000865522224 589442933 /nfs/dbraw/zinc/44/29/33/589442933.db2.gz ODORRCZSBFOBOV-MRVPVSSYSA-N 0 1 246.232 2.113 20 0 BEADMN FC(F)(F)c1cnccc1N[C@H]1CCCOC1 ZINC000865522225 589443016 /nfs/dbraw/zinc/44/30/16/589443016.db2.gz ODORRCZSBFOBOV-QMMMGPOBSA-N 0 1 246.232 2.113 20 0 BEADMN CCC[C@H](O)CNc1ccncc1C(F)(F)F ZINC000865535982 589444104 /nfs/dbraw/zinc/44/41/04/589444104.db2.gz QYHNFGQMPSSMHK-QMMMGPOBSA-N 0 1 248.248 2.095 20 0 BEADMN Cc1cc(CNc2cc(CC(C)C)ncn2)n[nH]1 ZINC000865538028 589444204 /nfs/dbraw/zinc/44/42/04/589444204.db2.gz IEQAJQFJYDRXLQ-UHFFFAOYSA-N 0 1 245.330 2.319 20 0 BEADMN CC[C@@H](CO)NCc1c(Cl)cncc1Cl ZINC000865538764 589444975 /nfs/dbraw/zinc/44/49/75/589444975.db2.gz MZDVPJXPYJPMGD-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN OCCCCNCc1c(Cl)cncc1Cl ZINC000865545939 589445416 /nfs/dbraw/zinc/44/54/16/589445416.db2.gz RAUWLZPNWPNQMN-UHFFFAOYSA-N 0 1 249.141 2.251 20 0 BEADMN CO[C@](C)(CNCc1cn(C2CC2)cn1)C1CC1 ZINC000865576911 589448743 /nfs/dbraw/zinc/44/87/43/589448743.db2.gz WTSRYMLSSCJNIB-CQSZACIVSA-N 0 1 249.358 2.123 20 0 BEADMN CC[C@H](O)CCNc1ccncc1C(F)(F)F ZINC000865615711 589451266 /nfs/dbraw/zinc/45/12/66/589451266.db2.gz AJVNKVDCFWEHJR-QMMMGPOBSA-N 0 1 248.248 2.095 20 0 BEADMN C[C@H](NCc1ccc(=O)[nH]c1)c1ccns1 ZINC000865644545 589454253 /nfs/dbraw/zinc/45/42/53/589454253.db2.gz DSIZMYWAJGHPKC-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN CCc1csc(N2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000865654581 589454547 /nfs/dbraw/zinc/45/45/47/589454547.db2.gz RCNVGOXWMRZFDO-UWVGGRQHSA-N 0 1 239.388 2.234 20 0 BEADMN CCc1csc(N2CCN(C)[C@H](C)[C@@H]2C)n1 ZINC000865654583 589454684 /nfs/dbraw/zinc/45/46/84/589454684.db2.gz RCNVGOXWMRZFDO-ZJUUUORDSA-N 0 1 239.388 2.234 20 0 BEADMN CC1(C)CC[C@@H](O)[C@H](NCc2nccs2)C1 ZINC000865700061 589457380 /nfs/dbraw/zinc/45/73/80/589457380.db2.gz RXNPYJCCSFYCQY-NXEZZACHSA-N 0 1 240.372 2.172 20 0 BEADMN CS[C@H]1C[C@H](NCc2c(Cl)cnn2C)C1 ZINC000865734149 589457905 /nfs/dbraw/zinc/45/79/05/589457905.db2.gz LCBKWJBONZYHFF-ZKCHVHJHSA-N 0 1 245.779 2.057 20 0 BEADMN CC(C)n1cc(CNCc2ccnc(F)c2)cn1 ZINC000865722306 589458710 /nfs/dbraw/zinc/45/87/10/589458710.db2.gz GPDJKJYJPODXHG-UHFFFAOYSA-N 0 1 248.305 2.288 20 0 BEADMN OCCCCCNc1ccncc1C(F)(F)F ZINC000865737230 589459394 /nfs/dbraw/zinc/45/93/94/589459394.db2.gz SDUYLWTUQUDOFD-UHFFFAOYSA-N 0 1 248.248 2.097 20 0 BEADMN C[C@H]1CN(CCc2cccs2)C[C@H](C)O1 ZINC000120932283 589478771 /nfs/dbraw/zinc/47/87/71/589478771.db2.gz NOKWYJFVQQSXGW-QWRGUYRKSA-N 0 1 225.357 2.400 20 0 BEADMN CC(C)N[C@H]1c2ccccc2OC[C@H]1F ZINC000866214185 589479199 /nfs/dbraw/zinc/47/91/99/589479199.db2.gz LOIVKJIAFNGVRT-PWSUYJOCSA-N 0 1 209.264 2.456 20 0 BEADMN CC(C)N[C@@H]1c2ccccc2OC[C@H]1F ZINC000866214186 589479257 /nfs/dbraw/zinc/47/92/57/589479257.db2.gz LOIVKJIAFNGVRT-ZYHUDNBSSA-N 0 1 209.264 2.456 20 0 BEADMN COCCCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866214577 589481241 /nfs/dbraw/zinc/48/12/41/589481241.db2.gz QAALTJFXRLRGIB-AAEUAGOBSA-N 0 1 239.290 2.084 20 0 BEADMN F[C@@H]1COc2ccccc2[C@H]1NCC1CC1 ZINC000866226962 589481743 /nfs/dbraw/zinc/48/17/43/589481743.db2.gz WADYOMOCOSPBMU-DGCLKSJQSA-N 0 1 221.275 2.458 20 0 BEADMN CC(C)(F)CN[C@H]1CCCc2n[nH]cc21 ZINC000866409407 589491061 /nfs/dbraw/zinc/49/10/61/589491061.db2.gz LIMMQAYAQVTOHX-VIFPVBQESA-N 0 1 211.284 2.125 20 0 BEADMN CS[C@H]1C[C@H](N[C@H](C)c2cc(C)n(C)n2)C1 ZINC000866488030 589497024 /nfs/dbraw/zinc/49/70/24/589497024.db2.gz INZXETODJCZHMC-GMTAPVOTSA-N 0 1 239.388 2.273 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)n(C)n1 ZINC000866500949 589497832 /nfs/dbraw/zinc/49/78/32/589497832.db2.gz WCSWSSVYRRKCSU-IWSPIJDZSA-N 0 1 247.264 2.330 20 0 BEADMN CCn1cc([C@@H](C)N[C@H](C)c2ccnn2C)cn1 ZINC000866612447 589504702 /nfs/dbraw/zinc/50/47/02/589504702.db2.gz IZYAPSKVXWSUNK-GHMZBOCLSA-N 0 1 247.346 2.048 20 0 BEADMN CCC=C(F)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000866729824 589516768 /nfs/dbraw/zinc/51/67/68/589516768.db2.gz PRTOPWDAPBPKDW-FWAPLPHYSA-N 0 1 237.278 2.167 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000869222967 589592774 /nfs/dbraw/zinc/59/27/74/589592774.db2.gz BLGUIYXQIOINTF-GHMZBOCLSA-N 0 1 235.331 2.050 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@]23C[C@H]2CCCC3)n[nH]1 ZINC000869702986 589623581 /nfs/dbraw/zinc/62/35/81/589623581.db2.gz YYPITTDDVCTDAO-IYYTYJHQSA-N 0 1 249.314 2.298 20 0 BEADMN C[C@@H](C(=O)NCC1CCC2(CC2)CC1)N(C)C ZINC000871017141 589712648 /nfs/dbraw/zinc/71/26/48/589712648.db2.gz PIBHNNRWHGGDTA-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1conc1CSc1nc(C2CC2)n[nH]1 ZINC000871644164 589780568 /nfs/dbraw/zinc/78/05/68/589780568.db2.gz CBRAUMLZJUDZIH-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1conc1CSc1n[nH]c(C2CC2)n1 ZINC000871644164 589780569 /nfs/dbraw/zinc/78/05/69/589780569.db2.gz CBRAUMLZJUDZIH-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN CCC(N)=NOCc1c(C)cc(C)nc1C ZINC000871728661 589800028 /nfs/dbraw/zinc/80/00/28/589800028.db2.gz PTFMOSMRFAXUFY-UHFFFAOYSA-N 0 1 221.304 2.415 20 0 BEADMN CC1(C)CCc2c([nH]n(CC3CC3)c2=O)C1 ZINC000871942327 589832918 /nfs/dbraw/zinc/83/29/18/589832918.db2.gz GONPQAOYBJJCQD-SNVBAGLBSA-N 0 1 220.316 2.421 20 0 BEADMN Cc1[nH]n(CC2CCCCC2)c(=O)c1C ZINC000871945022 589834013 /nfs/dbraw/zinc/83/40/13/589834013.db2.gz UOYHTPSJMDZVQB-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3cccnc3Cl)[nH]c21 ZINC000871952783 589841450 /nfs/dbraw/zinc/84/14/50/589841450.db2.gz OTAZSXGIBIDWGZ-YUMQZZPRSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccc(Cl)nc3)[nH]c21 ZINC000871955375 589842259 /nfs/dbraw/zinc/84/22/59/589842259.db2.gz YVDKNZZSXQNMRV-IONNQARKSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1cccnc1N1N=C2[C@@H](C)CC[C@@H]2C1=O ZINC000871955296 589842793 /nfs/dbraw/zinc/84/27/93/589842793.db2.gz MLLNELWBNQAKSB-WPRPVWTQSA-N 0 1 229.283 2.139 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccnc(Cl)c3)[nH]c21 ZINC000871953659 589842826 /nfs/dbraw/zinc/84/28/26/589842826.db2.gz YDUNYCAUJSSNMK-CBAPKCEASA-N 0 1 249.701 2.484 20 0 BEADMN COC[C@@H](C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871955840 589843614 /nfs/dbraw/zinc/84/36/14/589843614.db2.gz ZFWZVYVCGBAYPP-ZJUUUORDSA-N 0 1 238.331 2.046 20 0 BEADMN O=c1cc(C2CC2)[nH]n1C[C@@H]1CCCC1(F)F ZINC000871962309 589847445 /nfs/dbraw/zinc/84/74/45/589847445.db2.gz AJJUSCWVDFAVMS-VIFPVBQESA-N 0 1 242.269 2.420 20 0 BEADMN Cc1cc(=O)n([C@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000871964287 589847486 /nfs/dbraw/zinc/84/74/86/589847486.db2.gz OYWIBSDCDCAIEZ-NSHDSACASA-N 0 1 236.315 2.086 20 0 BEADMN CCOCCN[C@H](C)c1cc(O)ccc1F ZINC000872025961 589856839 /nfs/dbraw/zinc/85/68/39/589856839.db2.gz WPOIXEZZTFCKKO-SECBINFHSA-N 0 1 227.279 2.218 20 0 BEADMN C[C@@H](N[C@H]1CCCOC1)c1cccc(O)c1F ZINC000872035247 589858346 /nfs/dbraw/zinc/85/83/46/589858346.db2.gz UUGXUUDIWNVOGW-ZJUUUORDSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cc(O)ccc1F ZINC000872082183 589866542 /nfs/dbraw/zinc/86/65/42/589866542.db2.gz REYMXEOYBOGZBO-OPRDCNLKSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccn(C)n1 ZINC000872107165 589872803 /nfs/dbraw/zinc/87/28/03/589872803.db2.gz LCMFDVWDRXZFQL-OPDFLTKYSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1nccn1C ZINC000872110370 589874225 /nfs/dbraw/zinc/87/42/25/589874225.db2.gz XWRKIKYIMBANDY-ZDEQEGDKSA-N 0 1 249.358 2.028 20 0 BEADMN CC(C)OC1(CN[C@H]2CCn3ccnc32)CCC1 ZINC000872116804 589875308 /nfs/dbraw/zinc/87/53/08/589875308.db2.gz VEHROYRMDQLXNX-LBPRGKRZSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1cccc(C)c1 ZINC000872135130 589878124 /nfs/dbraw/zinc/87/81/24/589878124.db2.gz FPYJNXMUTDWZTI-LLVKDONJSA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H](C[N@@H+](CCCC1CC1)C1CC1)C(=O)[O-] ZINC000872160685 589886297 /nfs/dbraw/zinc/88/62/97/589886297.db2.gz LONWZMONUKZLEU-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872165732 589886796 /nfs/dbraw/zinc/88/67/96/589886796.db2.gz JZMQVFPGADYJLV-XHDPSFHLSA-N 0 1 245.322 2.049 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C(=O)[O-])CC2)Cc2ccccc21 ZINC000872166869 589886910 /nfs/dbraw/zinc/88/69/10/589886910.db2.gz VBKGIHFXOZIXII-LLVKDONJSA-N 0 1 245.322 2.471 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000872166379 589887278 /nfs/dbraw/zinc/88/72/78/589887278.db2.gz WAYZECSXGKJYDH-SECBINFHSA-N 0 1 232.283 2.073 20 0 BEADMN c1cc(CN2CCC[C@@H](OC3CCC3)CC2)n[nH]1 ZINC000872261260 589902473 /nfs/dbraw/zinc/90/24/73/589902473.db2.gz BJKPEGPCUWEXBE-CQSZACIVSA-N 0 1 249.358 2.333 20 0 BEADMN CCCCN(C)CN1CCC2(CCC2)C1=O ZINC000872561245 589951025 /nfs/dbraw/zinc/95/10/25/589951025.db2.gz QAGFGVFPUGVFLJ-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CCCCN(C)CN1CCC2(CCCC2)C1=O ZINC000872562288 589951434 /nfs/dbraw/zinc/95/14/34/589951434.db2.gz YUUBOPFQYVXJPM-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN c1cc(CNC[C@@H]2COc3ccccc3C2)no1 ZINC000873009481 589979227 /nfs/dbraw/zinc/97/92/27/589979227.db2.gz LSOSBBHVGYEUKM-LLVKDONJSA-N 0 1 244.294 2.016 20 0 BEADMN CN(C)Cc1ccc(NCc2ccon2)cc1F ZINC000873089564 589984152 /nfs/dbraw/zinc/98/41/52/589984152.db2.gz IFZXDJDORWXDOV-UHFFFAOYSA-N 0 1 249.289 2.487 20 0 BEADMN C[C@@H](C[C@@H](O)c1ccccc1)NCc1ccon1 ZINC000873097249 589985143 /nfs/dbraw/zinc/98/51/43/589985143.db2.gz KYAGANJIABOMLA-SMDDNHRTSA-N 0 1 246.310 2.276 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NC(CF)CF)CCO1 ZINC000873128735 589985690 /nfs/dbraw/zinc/98/56/90/589985690.db2.gz BOJRMWCHQPOBAS-ONGXEEELSA-N 0 1 235.318 2.477 20 0 BEADMN CCn1ncc(CNCCC[C@H]2C=CCC2)n1 ZINC000873153674 589987485 /nfs/dbraw/zinc/98/74/85/589987485.db2.gz CXCYNLBZLVHKAJ-LBPRGKRZSA-N 0 1 234.347 2.134 20 0 BEADMN CCn1nc(C)c(CNCCC[C@@H]2C=CCC2)n1 ZINC000873153853 589987782 /nfs/dbraw/zinc/98/77/82/589987782.db2.gz JMZKKPYQTDJQGY-CYBMUJFWSA-N 0 1 248.374 2.442 20 0 BEADMN CC[C@@H](NCc1cc[nH]n1)[C@@H](O)c1ccccc1 ZINC000873195159 589991261 /nfs/dbraw/zinc/99/12/61/589991261.db2.gz YKBHYCVOQQFYLL-KGLIPLIRSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@H](NCc1cocn1)[C@H](O)c1ccccc1 ZINC000873192802 589991448 /nfs/dbraw/zinc/99/14/48/589991448.db2.gz HGOXLKNRYLONLJ-UONOGXRCSA-N 0 1 246.310 2.276 20 0 BEADMN CC[C@@H](NCc1cocn1)[C@H](O)c1ccccc1 ZINC000873192804 589991454 /nfs/dbraw/zinc/99/14/54/589991454.db2.gz HGOXLKNRYLONLJ-ZIAGYGMSSA-N 0 1 246.310 2.276 20 0 BEADMN CC[C@@H](NCc1ccon1)[C@H](O)c1ccccc1 ZINC000873194668 589991491 /nfs/dbraw/zinc/99/14/91/589991491.db2.gz ISNHCKZEEVMBKG-ZIAGYGMSSA-N 0 1 246.310 2.276 20 0 BEADMN CC(C)(NCc1cnc(N)cn1)c1ccccc1 ZINC000873206506 589993910 /nfs/dbraw/zinc/99/39/10/589993910.db2.gz GOIRIXJJHKPYIB-UHFFFAOYSA-N 0 1 242.326 2.084 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2CCC=CCC2)n[nH]1 ZINC000873430031 590043380 /nfs/dbraw/zinc/04/33/80/590043380.db2.gz GZFUFPWPLAKPMM-SECBINFHSA-N 0 1 249.314 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2CCC=CCC2)n[nH]1 ZINC000873430034 590043726 /nfs/dbraw/zinc/04/37/26/590043726.db2.gz GZFUFPWPLAKPMM-VIFPVBQESA-N 0 1 249.314 2.464 20 0 BEADMN CCC(=O)COC(=O)c1c2cn[nH]c2ccc1C ZINC000873488883 590049859 /nfs/dbraw/zinc/04/98/59/590049859.db2.gz RQZWMGVGFPHRDO-UHFFFAOYSA-N 0 1 246.266 2.007 20 0 BEADMN CCOCCOC(=O)c1c2cn[nH]c2ccc1C ZINC000873488745 590050070 /nfs/dbraw/zinc/05/00/70/590050070.db2.gz ULPBURKSMVGWGR-UHFFFAOYSA-N 0 1 248.282 2.065 20 0 BEADMN Cc1cccc2c1CC[N@H+]([C@H](C(=O)[O-])C1CC1)C2 ZINC000873640520 590065528 /nfs/dbraw/zinc/06/55/28/590065528.db2.gz GNSCODMUCXAKAC-AWEZNQCLSA-N 0 1 245.322 2.216 20 0 BEADMN Cc1c(Cl)ccc2c1C[N@@H+](CC(=O)[O-])CC2 ZINC000873649502 590066650 /nfs/dbraw/zinc/06/66/50/590066650.db2.gz UFPWHGMALNPMSU-UHFFFAOYSA-N 0 1 239.702 2.091 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000873649934 590066774 /nfs/dbraw/zinc/06/67/74/590066774.db2.gz YKUDZNGEINAVPW-HNNXBMFYSA-N 0 1 245.322 2.051 20 0 BEADMN C[C@@H](Cc1ccco1)N[C@@H](C)c1ncc[nH]1 ZINC000124677572 590072026 /nfs/dbraw/zinc/07/20/26/590072026.db2.gz GBGUFQDDGCAVTA-UWVGGRQHSA-N 0 1 219.288 2.285 20 0 BEADMN C[C@H](C(=O)N1Cc2ccccc2[C@H](C)C1)N(C)C ZINC000873820376 590073146 /nfs/dbraw/zinc/07/31/46/590073146.db2.gz YKBOTQJLPSDVRK-VXGBXAGGSA-N 0 1 246.354 2.082 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)CN1CCCC1 ZINC000873992704 590083684 /nfs/dbraw/zinc/08/36/84/590083684.db2.gz ATBZPFIBEMJSQZ-QWHCGFSZSA-N 0 1 238.375 2.167 20 0 BEADMN CC/C=C(/F)C(=O)NCCCc1cn[nH]c1C ZINC000873993847 590084245 /nfs/dbraw/zinc/08/42/45/590084245.db2.gz WGJHWGADIIDFEH-VZUCSPMQSA-N 0 1 239.294 2.030 20 0 BEADMN C[C@H]1CN(C(=O)CN2CCCC2)c2ccccc21 ZINC000874055084 590089095 /nfs/dbraw/zinc/08/90/95/590089095.db2.gz MCCLLOUHQIMSSN-LBPRGKRZSA-N 0 1 244.338 2.233 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)CN2CCCC2)C1 ZINC000874160391 590094621 /nfs/dbraw/zinc/09/46/21/590094621.db2.gz ANWUHIXARGVRJN-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000874463927 590113858 /nfs/dbraw/zinc/11/38/58/590113858.db2.gz ODPWEGFQHAWRQX-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CCC1(CC)CCCN1C(=O)c1ccn[nH]1 ZINC000874627336 590119028 /nfs/dbraw/zinc/11/90/28/590119028.db2.gz PPWJGMGAGIICNN-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](CC)C2)nn1 ZINC000876613117 590221618 /nfs/dbraw/zinc/22/16/18/590221618.db2.gz ITDFHJKCKGMLAW-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CCOC(=O)CN(C[C@@](C)(CC)OC)C(C)C ZINC000876624567 590222936 /nfs/dbraw/zinc/22/29/36/590222936.db2.gz GKPHDFPPDUTSLY-CYBMUJFWSA-N 0 1 245.363 2.075 20 0 BEADMN CCCn1cc(CN2CCC[C@H]3CCC[C@H]32)nn1 ZINC000876638732 590224898 /nfs/dbraw/zinc/22/48/98/590224898.db2.gz MRVRAYJXAZYHDS-TZMCWYRMSA-N 0 1 248.374 2.453 20 0 BEADMN CCCn1cc(CN2CCC[C@H](C)[C@H]2C)nn1 ZINC000876656731 590226797 /nfs/dbraw/zinc/22/67/97/590226797.db2.gz GWUFSKBLSMHXPG-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN(C)C(C)(C)CC)nn1 ZINC000876718113 590233000 /nfs/dbraw/zinc/23/30/00/590233000.db2.gz LLGQROOJMNKVMK-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)C[C@@H]2CC)nn1 ZINC000876747865 590237158 /nfs/dbraw/zinc/23/71/58/590237158.db2.gz OSBQCFUQTRCENK-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN COc1cccc(C)c1C[N@H+]1CCOC[C@H](C)C1 ZINC000876752265 590238060 /nfs/dbraw/zinc/23/80/60/590238060.db2.gz KKSSVAZEQNQADK-GFCCVEGCSA-N 0 1 249.354 2.472 20 0 BEADMN COc1cnc(F)c(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000876800652 590243484 /nfs/dbraw/zinc/24/34/84/590243484.db2.gz TVRKUIFHTILMMW-NXEZZACHSA-N 0 1 238.306 2.460 20 0 BEADMN COc1cnc(F)c(CN(C)CCC2CC2)c1 ZINC000876812184 590245377 /nfs/dbraw/zinc/24/53/77/590245377.db2.gz RKTCZKILFKAYMX-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CC(C)C[C@@H](CO)NCc1nc(Cl)cs1 ZINC000876964701 590261854 /nfs/dbraw/zinc/26/18/54/590261854.db2.gz NIVHQIUJZAGYRF-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CCC(O)(CC)CNCc1nc(Cl)cs1 ZINC000876989155 590265697 /nfs/dbraw/zinc/26/56/97/590265697.db2.gz QDJZISWUPQKDJL-UHFFFAOYSA-N 0 1 248.779 2.437 20 0 BEADMN CCC[C@@](C)(O)CNCc1nc(Cl)cs1 ZINC000877027890 590271735 /nfs/dbraw/zinc/27/17/35/590271735.db2.gz UVOLXDFMEGSSHA-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN O[C@@H]1CCC[C@H]1CNCc1nc(Cl)cs1 ZINC000877071069 590277678 /nfs/dbraw/zinc/27/76/78/590277678.db2.gz CUJFMVOVGCUXSM-JGVFFNPUSA-N 0 1 246.763 2.047 20 0 BEADMN Clc1csc(CN[C@@H]2CCSC2)n1 ZINC000877072038 590277788 /nfs/dbraw/zinc/27/77/88/590277788.db2.gz GMPQMODGHTVRHY-ZCFIWIBFSA-N 0 1 234.777 2.392 20 0 BEADMN FC1(F)CC[C@H](NCc2ccc(Cl)nn2)C1 ZINC000877105591 590285081 /nfs/dbraw/zinc/28/50/81/590285081.db2.gz PQYBZMJTENINSZ-ZETCQYMHSA-N 0 1 247.676 2.407 20 0 BEADMN C[C@@H](NCc1ccns1)c1ccc[nH]1 ZINC000877124545 590289402 /nfs/dbraw/zinc/28/94/02/590289402.db2.gz NVPGKKYPVPOIMC-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN C[C@@H](O)C(C)(C)NCc1nc(Cl)cs1 ZINC000877126998 590290028 /nfs/dbraw/zinc/29/00/28/590290028.db2.gz YDKPIESYADRIMT-ZCFIWIBFSA-N 0 1 234.752 2.046 20 0 BEADMN OCC1(NCc2nc(Cl)cs2)CCCC1 ZINC000877157829 590294129 /nfs/dbraw/zinc/29/41/29/590294129.db2.gz DAZJSMRFNATTEJ-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN C[C@@H](O)C[C@H](C)NCc1nc(Cl)cs1 ZINC000877195808 590299701 /nfs/dbraw/zinc/29/97/01/590299701.db2.gz NJSFSMTUEFTTAB-NKWVEPMBSA-N 0 1 234.752 2.046 20 0 BEADMN Cc1cnc(CNC23CCC(CC2)C3)o1 ZINC000877309477 590312378 /nfs/dbraw/zinc/31/23/78/590312378.db2.gz LXRPGHWLQHMFFH-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1nc(Cl)cs1 ZINC000877480789 590336528 /nfs/dbraw/zinc/33/65/28/590336528.db2.gz HZGUTNWISZIQHK-ZETCQYMHSA-N 0 1 248.779 2.293 20 0 BEADMN CCc1nc(CNC[C@@](C)(CC)OC)co1 ZINC000877569980 590361965 /nfs/dbraw/zinc/36/19/65/590361965.db2.gz CBJRPANFYWCNJN-GFCCVEGCSA-N 0 1 226.320 2.142 20 0 BEADMN O[C@H](CNCc1nc(Cl)cs1)C1CCC1 ZINC000877574410 590362951 /nfs/dbraw/zinc/36/29/51/590362951.db2.gz JCDVZSPRAGRXRH-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2nc(Cl)cs2)O1 ZINC000877579327 590363550 /nfs/dbraw/zinc/36/35/50/590363550.db2.gz XSXWTSGHICUHQL-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN CCCN(Cc1cn(CCC)nn1)C(C)C ZINC000877617309 590374681 /nfs/dbraw/zinc/37/46/81/590374681.db2.gz NMMHTDFVCNDHRX-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN COCC1(CNCc2nc(Cl)cs2)CC1 ZINC000877618431 590376140 /nfs/dbraw/zinc/37/61/40/590376140.db2.gz TZTGSBCNWHYMLZ-UHFFFAOYSA-N 0 1 246.763 2.313 20 0 BEADMN COc1cnc(F)c(CN[C@@H]2C=CCC2)c1 ZINC000877623829 590377162 /nfs/dbraw/zinc/37/71/62/590377162.db2.gz BBDHNYVXUIJBIG-SNVBAGLBSA-N 0 1 222.263 2.038 20 0 BEADMN C1=C[C@@H](NCc2cc(C3CC3)no2)CC1 ZINC000877624035 590377354 /nfs/dbraw/zinc/37/73/54/590377354.db2.gz HKBSLBLQOGQYAI-SNVBAGLBSA-N 0 1 204.273 2.360 20 0 BEADMN C[C@H](NC[C@H]1CC1(Cl)Cl)c1nccn1C ZINC000877639541 590381254 /nfs/dbraw/zinc/38/12/54/590381254.db2.gz ASQXNNJXTMKTBE-JGVFFNPUSA-N 0 1 248.157 2.265 20 0 BEADMN CSC(C)(C)CCN1CC2(C1)CCCO2 ZINC000877653214 590384753 /nfs/dbraw/zinc/38/47/53/590384753.db2.gz CBOWHSOCAQDEGZ-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc(Cl)cs2)C1 ZINC000877661162 590387200 /nfs/dbraw/zinc/38/72/00/590387200.db2.gz WQWSAWYIXQLYNH-LJGSYFOKSA-N 0 1 232.736 2.064 20 0 BEADMN Cc1c(F)nccc1CNCC(C)(C)F ZINC000877662972 590388001 /nfs/dbraw/zinc/38/80/01/590388001.db2.gz BBDBSMHPDCHGSB-UHFFFAOYSA-N 0 1 214.259 2.367 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)ncc2F)[C@H](C)O1 ZINC000877682737 590391369 /nfs/dbraw/zinc/39/13/69/590391369.db2.gz PSGNCMBWINULRU-VHSKPIJISA-N 0 1 242.269 2.015 20 0 BEADMN Cc1cnc(CN[C@@H]2CC(C)(C)CC[C@H]2O)o1 ZINC000877684629 590391540 /nfs/dbraw/zinc/39/15/40/590391540.db2.gz ZAVPKQDEHCKKKL-GHMZBOCLSA-N 0 1 238.331 2.012 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000877718747 590399291 /nfs/dbraw/zinc/39/92/91/590399291.db2.gz RWROEBHVKKKTQO-BETUJISGSA-N 0 1 246.358 2.004 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CSC[C@@H]3C2)o1 ZINC000877738515 590406446 /nfs/dbraw/zinc/40/64/46/590406446.db2.gz OFPRXHSRZFFZDA-QWRGUYRKSA-N 0 1 238.356 2.168 20 0 BEADMN COCC(C)(C)CN1CC(OC(C)(C)C)C1 ZINC000877770294 590421195 /nfs/dbraw/zinc/42/11/95/590421195.db2.gz QXCFFAAKPVWROM-UHFFFAOYSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)(C)OC1CN(CCC[C@H]2CCO2)C1 ZINC000877770178 590421295 /nfs/dbraw/zinc/42/12/95/590421295.db2.gz QARXVPBTMPQGJN-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](C[C@@H](C)O)NCc1nc2ccccc2o1 ZINC000877778161 590423215 /nfs/dbraw/zinc/42/32/15/590423215.db2.gz KVMBJDMWNGFBSZ-GHMZBOCLSA-N 0 1 248.326 2.467 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC000877898635 590442572 /nfs/dbraw/zinc/44/25/72/590442572.db2.gz BTRCDZHLNUUGMY-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC000877898635 590442574 /nfs/dbraw/zinc/44/25/74/590442574.db2.gz BTRCDZHLNUUGMY-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000877899078 590442793 /nfs/dbraw/zinc/44/27/93/590442793.db2.gz KMQRUUCZVPOQQW-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN CC1(C)CN(C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000877899078 590442795 /nfs/dbraw/zinc/44/27/95/590442795.db2.gz KMQRUUCZVPOQQW-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H](C)O1 ZINC000877901583 590443150 /nfs/dbraw/zinc/44/31/50/590443150.db2.gz OXCZKKZYSZAHRR-ZUWCUPBKSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)C[C@H](C)O1 ZINC000877901664 590443239 /nfs/dbraw/zinc/44/32/39/590443239.db2.gz RBIJYZVOGMLSJX-XQQFMLRXSA-N 0 1 239.359 2.197 20 0 BEADMN CC(C)[C@@H](O)CCN(C)Cc1ccco1 ZINC000877906789 590444629 /nfs/dbraw/zinc/44/46/29/590444629.db2.gz XGGBWVGGQABKJX-LBPRGKRZSA-N 0 1 211.305 2.118 20 0 BEADMN CCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000877910203 590445668 /nfs/dbraw/zinc/44/56/68/590445668.db2.gz MPZICBYVEJKTQQ-MFKMUULPSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)[C@@H](C)CO1 ZINC000877920796 590447188 /nfs/dbraw/zinc/44/71/88/590447188.db2.gz XFSXBLOGXCPGBW-XQQFMLRXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)[C@H](C)CO1 ZINC000877920271 590447800 /nfs/dbraw/zinc/44/78/00/590447800.db2.gz IKDMBNFVVSPIJN-UPJWGTAASA-N 0 1 241.375 2.443 20 0 BEADMN CCN(CC)Cc1nnc(-c2cccc(O)c2)o1 ZINC000877929708 590449882 /nfs/dbraw/zinc/44/98/82/590449882.db2.gz LGCNNZKNXCWVIB-UHFFFAOYSA-N 0 1 247.298 2.284 20 0 BEADMN CCN1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000877933571 590451124 /nfs/dbraw/zinc/45/11/24/590451124.db2.gz OCFDFEBYPXURST-LBPRGKRZSA-N 0 1 246.345 2.449 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000877957241 590457790 /nfs/dbraw/zinc/45/77/90/590457790.db2.gz HSWSYRCQBVNHHG-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN CC(C)[C@@H](O)CCN(C)Cc1ccoc1 ZINC000877988622 590466627 /nfs/dbraw/zinc/46/66/27/590466627.db2.gz JXRUKNHWMFAYHU-LBPRGKRZSA-N 0 1 211.305 2.118 20 0 BEADMN CC1(C)COCCN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877995423 590468882 /nfs/dbraw/zinc/46/88/82/590468882.db2.gz HDDIJVXTMRNFDN-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN CCCCN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878007709 590470619 /nfs/dbraw/zinc/47/06/19/590470619.db2.gz INRRHVUDWUMVPV-MFKMUULPSA-N 0 1 249.358 2.334 20 0 BEADMN CCN(CC[C@H]1CCCC1(F)F)CC(=O)OC ZINC000878046489 590480525 /nfs/dbraw/zinc/48/05/25/590480525.db2.gz AYBZCFQLKHCTDX-SNVBAGLBSA-N 0 1 249.301 2.307 20 0 BEADMN NC(=O)CN(CCCC1CC1)Cc1ccccc1 ZINC000878098141 590492464 /nfs/dbraw/zinc/49/24/64/590492464.db2.gz AEHPTXZTOXIMTC-UHFFFAOYSA-N 0 1 246.354 2.164 20 0 BEADMN CN(Cc1cc[nH]n1)CC1CC2(CCC2)C1 ZINC000878098621 590492599 /nfs/dbraw/zinc/49/25/99/590492599.db2.gz ZGNUNYHINJXHRJ-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CCN(CC(=O)Nc1ncccc1C)C1CCC1 ZINC000878117147 590498278 /nfs/dbraw/zinc/49/82/78/590498278.db2.gz WMPASZNKRLAFCS-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN C[C@@H](CN(C)Cc1nnc[nH]1)CC(C)(C)C ZINC000878175788 590515798 /nfs/dbraw/zinc/51/57/98/590515798.db2.gz BVQRMGUZZBSVMX-SNVBAGLBSA-N 0 1 224.352 2.309 20 0 BEADMN CC(=O)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000878223816 590525900 /nfs/dbraw/zinc/52/59/00/590525900.db2.gz SFVMCDPJJSUYDU-CABCVRRESA-N 0 1 247.338 2.164 20 0 BEADMN C=C/C=C/CCN(C)C(C)(C)C(=O)OC ZINC000878239070 590528148 /nfs/dbraw/zinc/52/81/48/590528148.db2.gz AHWXISFXJZESTQ-BQYQJAHWSA-N 0 1 211.305 2.002 20 0 BEADMN Cc1conc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000878252345 590529694 /nfs/dbraw/zinc/52/96/94/590529694.db2.gz JKHXGGSSYQEONT-LLVKDONJSA-N 0 1 246.314 2.086 20 0 BEADMN CC(C)(C)OC(=O)[C@H](C1CC1)N1CC[C@H]2C[C@H]21 ZINC000878317913 590543519 /nfs/dbraw/zinc/54/35/19/590543519.db2.gz UEZXSKZYXDITMV-TUAOUCFPSA-N 0 1 237.343 2.201 20 0 BEADMN CC[C@@H](NCc1nocc1C)[C@H]1CCCO1 ZINC000878412911 590562574 /nfs/dbraw/zinc/56/25/74/590562574.db2.gz BIILIXDMLRZMBH-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN C=C/C=C/CCN[C@@H](C)c1nc(C)no1 ZINC000878418269 590563577 /nfs/dbraw/zinc/56/35/77/590563577.db2.gz XBPHRIHJJRMBOH-CYNONHLPSA-N 0 1 207.277 2.161 20 0 BEADMN C=C/C=C\CCN1CCO[C@@H](COC(C)C)C1 ZINC000878448956 590569144 /nfs/dbraw/zinc/56/91/44/590569144.db2.gz XKUBQUSYTWPPGT-GEXIGZQTSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1conc1CN([C@@H](C)CO)C1CCCC1 ZINC000878476115 590573691 /nfs/dbraw/zinc/57/36/91/590573691.db2.gz WWHACEOGQWSUDN-NSHDSACASA-N 0 1 238.331 2.108 20 0 BEADMN C=C/C=C/CC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000878549358 590590739 /nfs/dbraw/zinc/59/07/39/590590739.db2.gz FHKQVBZNMROLGM-UFFNRZRYSA-N 0 1 249.314 2.087 20 0 BEADMN C=C/C=C\CCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000878606181 590594859 /nfs/dbraw/zinc/59/48/59/590594859.db2.gz ONBFAZZFKKHYDG-WNAFDRHGSA-N 0 1 241.400 2.350 20 0 BEADMN Cc1conc1CN1CC[C@H](c2ccncc2)C1 ZINC000878629060 590597935 /nfs/dbraw/zinc/59/79/35/590597935.db2.gz UEHBOQUFPYLVAX-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2nocc2C)C1(C)C ZINC000878671261 590607284 /nfs/dbraw/zinc/60/72/84/590607284.db2.gz DSZQMIXISMVCKV-AAEUAGOBSA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2nocc2C)C1(C)C ZINC000878672095 590607586 /nfs/dbraw/zinc/60/75/86/590607586.db2.gz CEWFXGUVWLZNRJ-ADEWGFFLSA-N 0 1 238.331 2.132 20 0 BEADMN CCCCNC(=O)CCN1CCC=C(Cl)C1 ZINC000878793320 590624576 /nfs/dbraw/zinc/62/45/76/590624576.db2.gz AKXTWKCAURPWBP-UHFFFAOYSA-N 0 1 244.766 2.121 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC000878827988 590628443 /nfs/dbraw/zinc/62/84/43/590628443.db2.gz RQXOMXXJAYFLLA-GWCFXTLKSA-N 0 1 247.342 2.025 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)NCc1cnc[nH]1 ZINC000878907881 590645205 /nfs/dbraw/zinc/64/52/05/590645205.db2.gz RJIWCVUNGJAZFI-GWCFXTLKSA-N 0 1 235.331 2.242 20 0 BEADMN C=C/C=C\CCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000878920654 590652792 /nfs/dbraw/zinc/65/27/92/590652792.db2.gz ZKERLPQJGNDKGN-GKKDLHFNSA-N 0 1 207.317 2.276 20 0 BEADMN CO[C@H]1CN(C[C@H](C)CC(C)(C)C)CCO1 ZINC000878968898 590663657 /nfs/dbraw/zinc/66/36/57/590663657.db2.gz FAOGNHNXBYJYEY-VXGBXAGGSA-N 0 1 229.364 2.363 20 0 BEADMN CC(C)[C@H](O)CCN1CCC[C@@H]1c1ncccn1 ZINC000878978225 590666168 /nfs/dbraw/zinc/66/61/68/590666168.db2.gz QBKIZBGDXLYZNL-CHWSQXEVSA-N 0 1 249.358 2.021 20 0 BEADMN c1cnc2c(n1)CCN(CC1CC3(CCC3)C1)C2 ZINC000878992690 590673086 /nfs/dbraw/zinc/67/30/86/590673086.db2.gz QVKWSGKTMQPQDE-UHFFFAOYSA-N 0 1 243.354 2.415 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000879324230 590744087 /nfs/dbraw/zinc/74/40/87/590744087.db2.gz FXMXMQGZQJGYGZ-MFKMUULPSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2ccnc(F)c2)C1 ZINC000879325208 590746346 /nfs/dbraw/zinc/74/63/46/590746346.db2.gz JDTNMVCOCDRRMG-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN C=C/C=C\CCN1C2CCC1(C(=O)OC)CC2 ZINC000879329415 590748511 /nfs/dbraw/zinc/74/85/11/590748511.db2.gz TWNUIBHZAUDZJQ-PLNGDYQASA-N 0 1 235.327 2.289 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@H]2CO)s1 ZINC000879365629 590754400 /nfs/dbraw/zinc/75/44/00/590754400.db2.gz HMBYOUPEQHNDSU-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H](c1cnccn1)N1CCC(C(C)(C)O)CC1 ZINC000879628162 590839457 /nfs/dbraw/zinc/83/94/57/590839457.db2.gz ICNWLNLWVLUPPR-NSHDSACASA-N 0 1 249.358 2.021 20 0 BEADMN CCC(O)(CC)C(C)(C)NCc1nocc1C ZINC000879700314 590846629 /nfs/dbraw/zinc/84/66/29/590846629.db2.gz GQDMDDGBWYSGRN-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](C(C)(C)O)C2)o1 ZINC000880147909 590945932 /nfs/dbraw/zinc/94/59/32/590945932.db2.gz LJAJVADLYNKPSZ-GHMZBOCLSA-N 0 1 238.331 2.137 20 0 BEADMN CCC=C(C)C(=O)Nc1cccc2[nH]nnc21 ZINC000880196399 590956786 /nfs/dbraw/zinc/95/67/86/590956786.db2.gz PHYVJGULSGEZSL-YVMONPNESA-N 0 1 230.271 2.253 20 0 BEADMN CC/C=C/CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880195330 590956800 /nfs/dbraw/zinc/95/68/00/590956800.db2.gz QYDPSINHNAMNAI-YAUPHVJRSA-N 0 1 247.342 2.158 20 0 BEADMN O[C@H]1C[C@](NC/C=C\Cl)(c2ccccc2)C1 ZINC000880225324 590960409 /nfs/dbraw/zinc/96/04/09/590960409.db2.gz PIDFFHXFSYFTDU-KEAGVDKKSA-N 0 1 237.730 2.379 20 0 BEADMN C[C@@H](c1cnccn1)N1CCC[C@@H](CF)C1 ZINC000880236548 590966291 /nfs/dbraw/zinc/96/62/91/590966291.db2.gz BDEAFPHMSRWCEI-QWRGUYRKSA-N 0 1 223.295 2.219 20 0 BEADMN Cc1nocc1CN1CCC[C@@H](CF)C1 ZINC000880237913 590970441 /nfs/dbraw/zinc/97/04/41/590970441.db2.gz KQZPYGDSFGBVPB-JTQLQIEISA-N 0 1 212.268 2.165 20 0 BEADMN Cc1cncc(CN2CCC(F)CC2)c1 ZINC000880239875 590972902 /nfs/dbraw/zinc/97/29/02/590972902.db2.gz HWFFGCGNPROQAI-UHFFFAOYSA-N 0 1 208.280 2.324 20 0 BEADMN FC1CCN(Cc2cnc3ccccn23)CC1 ZINC000880241336 590975156 /nfs/dbraw/zinc/97/51/56/590975156.db2.gz WIZMXNKEAYNKLL-UHFFFAOYSA-N 0 1 233.290 2.268 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880242648 590975871 /nfs/dbraw/zinc/97/58/71/590975871.db2.gz GQLUOURNRHACBC-WDEREUQCSA-N 0 1 244.354 2.114 20 0 BEADMN Cc1ccc2nc(CN3CC[C@@H](CF)C3)cn2c1 ZINC000880295705 590990586 /nfs/dbraw/zinc/99/05/86/590990586.db2.gz NKFIZWBBTHHUGM-LBPRGKRZSA-N 0 1 247.317 2.434 20 0 BEADMN C[C@@]1(c2ccccc2)CCC[N@H+]1CCC(=O)[O-] ZINC000880372474 591014350 /nfs/dbraw/zinc/01/43/50/591014350.db2.gz YAMQJFBAPGVLLC-AWEZNQCLSA-N 0 1 233.311 2.472 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(Cl)cn1 ZINC000880442987 591044361 /nfs/dbraw/zinc/04/43/61/591044361.db2.gz AGDCSNNVMMIYAO-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN CCN(CCF)[C@H](CO)c1ccccc1 ZINC000880461887 591052726 /nfs/dbraw/zinc/05/27/26/591052726.db2.gz KQNWDMZSDCRRKZ-GFCCVEGCSA-N 0 1 211.280 2.011 20 0 BEADMN O=C([O-])C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000211379510 591164476 /nfs/dbraw/zinc/16/44/76/591164476.db2.gz CKOVPANNGVGTGX-VMPITWQZSA-N 0 1 238.114 2.102 20 0 BEADMN CCC[C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC000881530165 591230562 /nfs/dbraw/zinc/23/05/62/591230562.db2.gz WJLJJPYWNGVION-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC000881530022 591230569 /nfs/dbraw/zinc/23/05/69/591230569.db2.gz NFGCLNUGEBRLCY-JTQLQIEISA-N 0 1 237.347 2.203 20 0 BEADMN CCC[C@@H](C)CCNC(=O)[C@@H]1CCCCN1C ZINC000881530059 591230769 /nfs/dbraw/zinc/23/07/69/591230769.db2.gz OCTMZSWDMBMKSZ-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@]2(C)CC2(C)C)c1C ZINC000881542200 591235368 /nfs/dbraw/zinc/23/53/68/591235368.db2.gz LPMMLUNRAPZCRP-ZDUSSCGKSA-N 0 1 235.331 2.193 20 0 BEADMN O=C(NCC[C@@H]1CCCC1(F)F)C(F)(F)F ZINC000881581087 591248804 /nfs/dbraw/zinc/24/88/04/591248804.db2.gz BJTPBPHWXBDDLZ-LURJTMIESA-N 0 1 245.191 2.490 20 0 BEADMN CCc1cc(CNc2nnc(C(C)(C)C)o2)n[nH]1 ZINC000881978351 591284801 /nfs/dbraw/zinc/28/48/01/591284801.db2.gz MXNXGOCFFKKVQH-UHFFFAOYSA-N 0 1 249.318 2.265 20 0 BEADMN CN(C)CC(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000882022105 591288378 /nfs/dbraw/zinc/28/83/78/591288378.db2.gz ODLYBLVPKPLWLE-HNNXBMFYSA-N 0 1 246.354 2.086 20 0 BEADMN CC1(C)C[C@H](CSc2cn[nH]n2)C(C)(C)O1 ZINC000882139550 591304753 /nfs/dbraw/zinc/30/47/53/591304753.db2.gz YHKCGXLPCBRLEI-MRVPVSSYSA-N 0 1 241.360 2.491 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CCC1CCCC1 ZINC000882479451 591356238 /nfs/dbraw/zinc/35/62/38/591356238.db2.gz WMLBFZOILDJLGW-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ccc(C(=O)NC[C@H]2CCN2CC)cc1 ZINC000882480632 591356794 /nfs/dbraw/zinc/35/67/94/591356794.db2.gz WKVCKOKOFCMWSJ-CQSZACIVSA-N 0 1 246.354 2.073 20 0 BEADMN CCCCCCC(=O)NC[C@@H]1CCN1CC ZINC000882481264 591357379 /nfs/dbraw/zinc/35/73/79/591357379.db2.gz AIFJXNGSQTWHKR-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CCc1ccc(C(=O)NC[C@@H]2CCN2CC)cc1 ZINC000882480631 591357816 /nfs/dbraw/zinc/35/78/16/591357816.db2.gz WKVCKOKOFCMWSJ-AWEZNQCLSA-N 0 1 246.354 2.073 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000882485883 591361092 /nfs/dbraw/zinc/36/10/92/591361092.db2.gz FPGBXYYGOTXZKB-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC000882489127 591366906 /nfs/dbraw/zinc/36/69/06/591366906.db2.gz MHXSPGIDFRUZPX-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@H](C)CCC(=O)NC[C@@H]1CCN1CC ZINC000882492900 591373571 /nfs/dbraw/zinc/37/35/71/591373571.db2.gz URUVNVLSNOXHNY-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC000882493687 591376314 /nfs/dbraw/zinc/37/63/14/591376314.db2.gz KEKGFUGTXPSGNH-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1cccnc1Cl ZINC000129802330 591410318 /nfs/dbraw/zinc/41/03/18/591410318.db2.gz FGDHEXWWJVOXIA-UHFFFAOYSA-N 0 1 235.674 2.238 20 0 BEADMN CCc1[nH]n(-c2cccnc2Cl)c(=O)c1C ZINC000129809553 591410556 /nfs/dbraw/zinc/41/05/56/591410556.db2.gz BRZYQKLDYSLQFE-SSDOTTSWSA-N 0 1 237.690 2.484 20 0 BEADMN CCCCC[C@H](C)NC(=O)c1ccnc(CN)c1 ZINC000129995947 591427363 /nfs/dbraw/zinc/42/73/63/591427363.db2.gz BMCIZZYLGXKNRA-NSHDSACASA-N 0 1 249.358 2.239 20 0 BEADMN CCN1CC[C@H]1CNC(=O)OC1CCCCC1 ZINC000882763451 591431023 /nfs/dbraw/zinc/43/10/23/591431023.db2.gz OPPXPSZOPMHJFS-NSHDSACASA-N 0 1 240.347 2.140 20 0 BEADMN CC(C)c1c[nH]c(CNCCc2ccccn2)n1 ZINC000882878877 591460398 /nfs/dbraw/zinc/46/03/98/591460398.db2.gz WTNSZDQVLVPYER-UHFFFAOYSA-N 0 1 244.342 2.260 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000213406618 591472468 /nfs/dbraw/zinc/47/24/68/591472468.db2.gz XNTIDOYWAGMTTK-LVCFMKKZSA-N 0 1 217.696 2.068 20 0 BEADMN CCC[C@@](C)(O)CNCc1nc(C(C)C)c[nH]1 ZINC000882993885 591499351 /nfs/dbraw/zinc/49/93/51/591499351.db2.gz KJHQQMIHZCQECO-CYBMUJFWSA-N 0 1 239.363 2.174 20 0 BEADMN COC[C@H](NCc1nc(C(C)C)c[nH]1)C(C)C ZINC000883018107 591515305 /nfs/dbraw/zinc/51/53/05/591515305.db2.gz OCZPXNHNEHKIJS-LBPRGKRZSA-N 0 1 239.363 2.294 20 0 BEADMN COC(C)(C)CNCc1nc(C(C)C)c[nH]1 ZINC000883020133 591517351 /nfs/dbraw/zinc/51/73/51/591517351.db2.gz QXGNFAJBHUBLMB-UHFFFAOYSA-N 0 1 225.336 2.048 20 0 BEADMN CC(C)c1c[nH]c(CN[C@]2(C)CCO[C@H]2C)n1 ZINC000883087241 591537351 /nfs/dbraw/zinc/53/73/51/591537351.db2.gz RGPRSGRLUMGBGN-GXFFZTMASA-N 0 1 237.347 2.190 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883100427 591539159 /nfs/dbraw/zinc/53/91/59/591539159.db2.gz XMXHXAYUMHWVIT-UWVGGRQHSA-N 0 1 225.336 2.046 20 0 BEADMN CCOCC(C)(C)NCc1nc(C(C)C)c[nH]1 ZINC000883130584 591545999 /nfs/dbraw/zinc/54/59/99/591545999.db2.gz KTSBROXBFHLVKV-UHFFFAOYSA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CCOC2(C)C)n1 ZINC000883132741 591546374 /nfs/dbraw/zinc/54/63/74/591546374.db2.gz BWYNNPFMFQATGO-LLVKDONJSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H](C)CC(C)(C)O)n1 ZINC000883132763 591546797 /nfs/dbraw/zinc/54/67/97/591546797.db2.gz CFGFXXXXUAIYEL-SNVBAGLBSA-N 0 1 239.363 2.172 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CCOC2(C)C)n1 ZINC000883132742 591547335 /nfs/dbraw/zinc/54/73/35/591547335.db2.gz BWYNNPFMFQATGO-NSHDSACASA-N 0 1 237.347 2.190 20 0 BEADMN c1csc(CNC[C@@H]2CSCCS2)n1 ZINC000131144397 591559351 /nfs/dbraw/zinc/55/93/51/591559351.db2.gz ODSPQZDAFXGVNA-MRVPVSSYSA-N 0 1 246.426 2.081 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccns2)no1 ZINC000883247324 591588056 /nfs/dbraw/zinc/58/80/56/591588056.db2.gz GSMLZLNLWPVXKH-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN c1cc(CCN[C@H]2CCCn3ccnc32)sn1 ZINC000883247756 591588416 /nfs/dbraw/zinc/58/84/16/591588416.db2.gz VGQQYKUPEWYKLX-NSHDSACASA-N 0 1 248.355 2.007 20 0 BEADMN C[C@H]1CC[C@@H]1NC1(c2ncccn2)CCC1 ZINC000883312235 591612387 /nfs/dbraw/zinc/61/23/87/591612387.db2.gz XSRXZVBRSSORJT-QWRGUYRKSA-N 0 1 217.316 2.244 20 0 BEADMN COCCC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883313201 591612408 /nfs/dbraw/zinc/61/24/08/591612408.db2.gz YORFMEYFJRWGOL-GFCCVEGCSA-N 0 1 249.358 2.261 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccc(C)cc1)C(=O)[O-] ZINC000214594538 591636091 /nfs/dbraw/zinc/63/60/91/591636091.db2.gz ZWZJJGLIHQPQPP-XYOKQWHBSA-N 0 1 233.311 2.458 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000131900266 591675346 /nfs/dbraw/zinc/67/53/46/591675346.db2.gz FMHQXOKXVREPFZ-IUCAKERBSA-N 0 1 228.723 2.421 20 0 BEADMN C[C@@]1(c2ccccc2)CCC[N@H+]1CC(=O)[O-] ZINC000883411886 591651829 /nfs/dbraw/zinc/65/18/29/591651829.db2.gz JVGHFQOXBXFZQH-ZDUSSCGKSA-N 0 1 219.284 2.082 20 0 BEADMN COc1ccc(C[N@@H+](C)C/C=C(\C)C(=O)[O-])cc1 ZINC000214707980 591738452 /nfs/dbraw/zinc/73/84/52/591738452.db2.gz AOETZSSBPNHYME-DHZHZOJOSA-N 0 1 249.310 2.158 20 0 BEADMN CC(C)(C)OCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000133286144 591784573 /nfs/dbraw/zinc/78/45/73/591784573.db2.gz QRXHSHCYIWWNQB-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC[S@@](=O)CCN[C@H](C)c1ccccc1F ZINC000133453882 591797268 /nfs/dbraw/zinc/79/72/68/591797268.db2.gz CEYAJCWFPCAFDW-HWPZZCPQSA-N 0 1 243.347 2.245 20 0 BEADMN CC[S@](=O)CCN[C@H](C)c1ccccc1F ZINC000133454094 591797869 /nfs/dbraw/zinc/79/78/69/591797869.db2.gz CEYAJCWFPCAFDW-QLJPJBMISA-N 0 1 243.347 2.245 20 0 BEADMN COC(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000134114872 591888179 /nfs/dbraw/zinc/88/81/79/591888179.db2.gz XULRGPLAGXCZDE-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN COC(=O)CN(C)C1CCCCCCC1 ZINC000134114872 591888182 /nfs/dbraw/zinc/88/81/82/591888182.db2.gz XULRGPLAGXCZDE-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000215232528 591932357 /nfs/dbraw/zinc/93/23/57/591932357.db2.gz WOEARRUHBDLBFP-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000215462842 591947634 /nfs/dbraw/zinc/94/76/34/591947634.db2.gz HBGOFKRKCWJQGY-GFCCVEGCSA-N 0 1 235.327 2.456 20 0 BEADMN C=C/C=C\CCOC(=O)[C@H](C(C)C)N(C)C ZINC000884501327 591959340 /nfs/dbraw/zinc/95/93/40/591959340.db2.gz FJHCUZKORKPWFQ-KRZKBDHCSA-N 0 1 225.332 2.248 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135261753 592000507 /nfs/dbraw/zinc/00/05/07/592000507.db2.gz JNGPJWTXADFCQW-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1CCC1 ZINC000885255921 592060809 /nfs/dbraw/zinc/06/08/09/592060809.db2.gz YNMDJKLIFGNMHV-ZANVPECISA-N 0 1 248.326 2.419 20 0 BEADMN C/C=C/COC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885258464 592061081 /nfs/dbraw/zinc/06/10/81/592061081.db2.gz HOMSFJAFIQIKNW-HUAUEDMRSA-N 0 1 234.299 2.195 20 0 BEADMN CCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885260670 592061485 /nfs/dbraw/zinc/06/14/85/592061485.db2.gz GFJZDELFZRIANW-JOYOIKCWSA-N 0 1 236.315 2.419 20 0 BEADMN CCCCOC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885260668 592061518 /nfs/dbraw/zinc/06/15/18/592061518.db2.gz GFJZDELFZRIANW-BXKDBHETSA-N 0 1 236.315 2.419 20 0 BEADMN CC(C)OC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000885878828 592104812 /nfs/dbraw/zinc/10/48/12/592104812.db2.gz SBUFGJWNSGJTGE-QMMMGPOBSA-N 0 1 222.288 2.100 20 0 BEADMN Cc1coc(CNC[C@H](O)c2ccco2)c1 ZINC000885917661 592109192 /nfs/dbraw/zinc/10/91/92/592109192.db2.gz PQNJCTWQIWCWDD-NSHDSACASA-N 0 1 221.256 2.004 20 0 BEADMN Cc1[nH]nc(CNc2ccc3c(c2)OCO3)c1C ZINC000885928725 592109223 /nfs/dbraw/zinc/10/92/23/592109223.db2.gz FWDIYADHQGWGCS-UHFFFAOYSA-N 0 1 245.282 2.367 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@](C)(O)C(F)F)cc1 ZINC000885942545 592110866 /nfs/dbraw/zinc/11/08/66/592110866.db2.gz PGAWQLYSJVSDAZ-ZDUSSCGKSA-N 0 1 243.297 2.443 20 0 BEADMN CCCC[N@@H+](C)CCNCc1cc(C)co1 ZINC000885980188 592119755 /nfs/dbraw/zinc/11/97/55/592119755.db2.gz VRKQKGUFBKEISF-UHFFFAOYSA-N 0 1 224.348 2.410 20 0 BEADMN Cc1coc(CNCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000886003886 592127355 /nfs/dbraw/zinc/12/73/55/592127355.db2.gz MRGYVIGQNFNRFP-LBPRGKRZSA-N 0 1 222.332 2.162 20 0 BEADMN Cc1[nH]nc(CNc2cccc(CO)c2)c1C ZINC000886014024 592130856 /nfs/dbraw/zinc/13/08/56/592130856.db2.gz AZXCFBTVUSDSFV-UHFFFAOYSA-N 0 1 231.299 2.131 20 0 BEADMN Cc1[nH]nc(CNc2cnn(CC(C)C)c2)c1C ZINC000886049098 592140324 /nfs/dbraw/zinc/14/03/24/592140324.db2.gz FYRFFZJPZIBPCE-UHFFFAOYSA-N 0 1 247.346 2.491 20 0 BEADMN c1[nH]nc2c1CCN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886080643 592143867 /nfs/dbraw/zinc/14/38/67/592143867.db2.gz DWUDUBDUGRGDLL-YPMHNXCESA-N 0 1 231.343 2.204 20 0 BEADMN C[C@@H]1COCCN(CCSC(F)(F)F)C1 ZINC000886085893 592145480 /nfs/dbraw/zinc/14/54/80/592145480.db2.gz DZTXJTFAGBPYAA-QMMMGPOBSA-N 0 1 243.294 2.208 20 0 BEADMN Cc1[nH]nc(CN[C@H]2CCCC2(F)F)c1C ZINC000886116986 592154604 /nfs/dbraw/zinc/15/46/04/592154604.db2.gz WUBADZUIUBVZGA-JTQLQIEISA-N 0 1 229.274 2.304 20 0 BEADMN Cc1[nH]nc(CNc2cc3n(n2)CCCC3)c1C ZINC000886114174 592156154 /nfs/dbraw/zinc/15/61/54/592156154.db2.gz ISZKKNFPOGMUFI-UHFFFAOYSA-N 0 1 245.330 2.171 20 0 BEADMN Cc1[nH]nc(CNc2cncc(N(C)C)c2)c1C ZINC000886175028 592169784 /nfs/dbraw/zinc/16/97/84/592169784.db2.gz OWBGFYUCPPDUOX-UHFFFAOYSA-N 0 1 245.330 2.100 20 0 BEADMN Clc1cscc1CN[C@]12C[C@H]1COC2 ZINC000886200267 592175429 /nfs/dbraw/zinc/17/54/29/592175429.db2.gz FKIOAGYSNYCMTD-WPRPVWTQSA-N 0 1 229.732 2.280 20 0 BEADMN C[C@@](O)(CN1CCCc2occc2C1)C(F)F ZINC000886209085 592176515 /nfs/dbraw/zinc/17/65/15/592176515.db2.gz DKEKEEFMUAONSK-GFCCVEGCSA-N 0 1 245.269 2.044 20 0 BEADMN C[C@](O)(CN1CCCc2occc2C1)C(F)F ZINC000886209086 592176856 /nfs/dbraw/zinc/17/68/56/592176856.db2.gz DKEKEEFMUAONSK-LBPRGKRZSA-N 0 1 245.269 2.044 20 0 BEADMN CC[N@@H+](Cc1occc1C)C[C@](C)(O)C(F)F ZINC000886247289 592185573 /nfs/dbraw/zinc/18/55/73/592185573.db2.gz MRPRGLOOFRJZOI-LBPRGKRZSA-N 0 1 247.285 2.426 20 0 BEADMN CCN(Cc1occc1C)C[C@](C)(O)C(F)F ZINC000886247289 592185575 /nfs/dbraw/zinc/18/55/75/592185575.db2.gz MRPRGLOOFRJZOI-LBPRGKRZSA-N 0 1 247.285 2.426 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000886274456 592194813 /nfs/dbraw/zinc/19/48/13/592194813.db2.gz UAVBOKAUWLMOGL-VLEAKVRGSA-N 0 1 224.304 2.281 20 0 BEADMN Cc1ccccc1NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886327744 592209372 /nfs/dbraw/zinc/20/93/72/592209372.db2.gz QTFRPVVSRJXFEX-UPJWGTAASA-N 0 1 244.338 2.274 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2C[C@@H]2C1 ZINC000886346258 592212975 /nfs/dbraw/zinc/21/29/75/592212975.db2.gz FDBWMYCBBGJKRJ-AXFHLTTASA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)(C)OC(=O)[C@@H](C1CC1)N1C[C@@H]2C[C@@H]2C1 ZINC000886348086 592213870 /nfs/dbraw/zinc/21/38/70/592213870.db2.gz GDHSJVWDEVPIQZ-GRYCIOLGSA-N 0 1 237.343 2.058 20 0 BEADMN CC(C)[C@H](NCc1cccnc1)c1cnn(C)c1 ZINC000886487657 592234746 /nfs/dbraw/zinc/23/47/46/592234746.db2.gz NJSODOCPSDIFQF-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN CCc1cc(CN[C@H]2CCc3cccnc32)[nH]n1 ZINC000886526653 592245848 /nfs/dbraw/zinc/24/58/48/592245848.db2.gz PJCUADQYVBUPRQ-ZDUSSCGKSA-N 0 1 242.326 2.144 20 0 BEADMN COCCCCCN[C@@H](C)c1ncco1 ZINC000886531024 592246838 /nfs/dbraw/zinc/24/68/38/592246838.db2.gz VKAWRBUXZSFZPZ-JTQLQIEISA-N 0 1 212.293 2.142 20 0 BEADMN CC(C)OCCCN[C@H](C)c1ncco1 ZINC000886529981 592247577 /nfs/dbraw/zinc/24/75/77/592247577.db2.gz AXLAWDJJDKBAJB-SNVBAGLBSA-N 0 1 212.293 2.140 20 0 BEADMN C[C@H](NC1Cc2ccccc2C1)c1ncco1 ZINC000886530844 592247910 /nfs/dbraw/zinc/24/79/10/592247910.db2.gz RHXQQSUXBYUKHK-JTQLQIEISA-N 0 1 228.295 2.493 20 0 BEADMN C[C@H](NCC1CC(F)(F)C1)c1ncco1 ZINC000886538308 592253089 /nfs/dbraw/zinc/25/30/89/592253089.db2.gz FYXSZLFLPKMMDY-ZETCQYMHSA-N 0 1 216.231 2.371 20 0 BEADMN CCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000070210138 592254296 /nfs/dbraw/zinc/25/42/96/592254296.db2.gz RPDJHHYMWUCQDN-UHFFFAOYSA-N 0 1 241.281 2.268 20 0 BEADMN CC(C)CC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886589595 592271110 /nfs/dbraw/zinc/27/11/10/592271110.db2.gz ZVDXWMROMWBPBZ-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886591349 592271232 /nfs/dbraw/zinc/27/12/32/592271232.db2.gz RTRSNERBTLRWAK-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886595192 592271249 /nfs/dbraw/zinc/27/12/49/592271249.db2.gz CQANCXFBVLFEIZ-MVXISAMASA-N 0 1 238.375 2.141 20 0 BEADMN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1cnccn1 ZINC000886701173 592306544 /nfs/dbraw/zinc/30/65/44/592306544.db2.gz LVWRRBHSXIKTFI-RYUDHWBXSA-N 0 1 247.342 2.086 20 0 BEADMN Cc1cccc(N2CCCC[C@@H]2CC(=O)[O-])[nH+]1 ZINC000886915362 592394917 /nfs/dbraw/zinc/39/49/17/592394917.db2.gz CUHGVQOEBUAZHS-LLVKDONJSA-N 0 1 234.299 2.224 20 0 BEADMN Cc1ccc2c(c1)CCN2Cc1cnc[nH]1 ZINC000139937991 592442690 /nfs/dbraw/zinc/44/26/90/592442690.db2.gz HPKDAZLLNABUAJ-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN FC(F)CN(Cc1cnc[nH]1)C1CCC1 ZINC000887102558 592442820 /nfs/dbraw/zinc/44/28/20/592442820.db2.gz UKXFTZKGMIRPCO-UHFFFAOYSA-N 0 1 215.247 2.029 20 0 BEADMN COc1cc2c(cc1O)CCN(CCCF)C2 ZINC000887105100 592444557 /nfs/dbraw/zinc/44/45/57/592444557.db2.gz HBWZMBGNJGMCHD-UHFFFAOYSA-N 0 1 239.290 2.119 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)N(C)CCCF)C(C)C ZINC000887137298 592451041 /nfs/dbraw/zinc/45/10/41/592451041.db2.gz BXHPYOMSEUIEBJ-GFCCVEGCSA-N 0 1 246.370 2.312 20 0 BEADMN CCOc1cccc(CN(C)CCCF)n1 ZINC000887141230 592457843 /nfs/dbraw/zinc/45/78/43/592457843.db2.gz KNHWFTCSVSDKEE-UHFFFAOYSA-N 0 1 226.295 2.272 20 0 BEADMN Cc1cnc([C@H](C)N(C)CCCF)cn1 ZINC000887142426 592458433 /nfs/dbraw/zinc/45/84/33/592458433.db2.gz JRUPUTOMPTUVLK-JTQLQIEISA-N 0 1 211.284 2.137 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CCCF)cn1 ZINC000887142427 592459513 /nfs/dbraw/zinc/45/95/13/592459513.db2.gz JRUPUTOMPTUVLK-SNVBAGLBSA-N 0 1 211.284 2.137 20 0 BEADMN Cc1noc([C@H](C)NC2(C3CC3)CCC2)n1 ZINC000887145127 592461337 /nfs/dbraw/zinc/46/13/37/592461337.db2.gz OLUGLAORIHTNEH-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1[C@@H]1CCCSC1 ZINC000887296779 592478217 /nfs/dbraw/zinc/47/82/17/592478217.db2.gz LDKMTRAAPWCEQG-SNVBAGLBSA-N 0 1 238.356 2.270 20 0 BEADMN CCC1=NN([C@@H]2CCCSC2)C(=O)[C@@H]1C ZINC000887298984 592478240 /nfs/dbraw/zinc/47/82/40/592478240.db2.gz MLJMFFHOHJKQPY-RKDXNWHRSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n([C@@H]2CCCSC2)c(=O)c1C ZINC000887298984 592478242 /nfs/dbraw/zinc/47/82/42/592478242.db2.gz MLJMFFHOHJKQPY-RKDXNWHRSA-N 0 1 226.345 2.126 20 0 BEADMN CC1=NN([C@@H]2CC(C)(C)OC2(C)C)C(=O)[C@H]1C ZINC000887296479 592478422 /nfs/dbraw/zinc/47/84/22/592478422.db2.gz CWZBLRPAXPJPIB-WCBMZHEXSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1[nH]n([C@@H]2CC(C)(C)OC2(C)C)c(=O)c1C ZINC000887296479 592478424 /nfs/dbraw/zinc/47/84/24/592478424.db2.gz CWZBLRPAXPJPIB-WCBMZHEXSA-N 0 1 238.331 2.187 20 0 BEADMN CCS[C@H]1CCC[C@@H]1NCc1nonc1C ZINC000300394973 592510412 /nfs/dbraw/zinc/51/04/12/592510412.db2.gz YQFXMSIEZPYULT-ONGXEEELSA-N 0 1 241.360 2.142 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H]2C2CCCC2)[nH]1 ZINC000889400975 592608554 /nfs/dbraw/zinc/60/85/54/592608554.db2.gz VGHZGPIRFWZKFI-LBPRGKRZSA-N 0 1 233.315 2.123 20 0 BEADMN O=C(Cc1cnc[nH]1)NC[C@@H]1CCC=CCCC1 ZINC000890047231 592671348 /nfs/dbraw/zinc/67/13/48/592671348.db2.gz MKKPJRDEOOYRPW-GFCCVEGCSA-N 0 1 247.342 2.205 20 0 BEADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)[O-])cc1F ZINC000740235505 602668936 /nfs/dbraw/zinc/66/89/36/602668936.db2.gz GCCHVHDTGUWMIK-UHFFFAOYSA-N 0 1 249.245 2.087 20 0 BEADMN Cc1ccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)o1 ZINC000380984174 597073083 /nfs/dbraw/zinc/07/30/83/597073083.db2.gz BOFVONLJCHYWHN-SECBINFHSA-N 0 1 223.272 2.026 20 0 BEADMN COc1ccccc1C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000394891189 597072654 /nfs/dbraw/zinc/07/26/54/597072654.db2.gz ZXANIIGLRDEQND-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)o1 ZINC000380984174 597073086 /nfs/dbraw/zinc/07/30/86/597073086.db2.gz BOFVONLJCHYWHN-SECBINFHSA-N 0 1 223.272 2.026 20 0 BEADMN C[C@H]1c2ccccc2C[N@@H+]1CCC(=O)[O-] ZINC000308849472 597384006 /nfs/dbraw/zinc/38/40/06/597384006.db2.gz NOWSBGWFBMFPDF-VIFPVBQESA-N 0 1 205.257 2.038 20 0 BEADMN C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000709692194 597731629 /nfs/dbraw/zinc/73/16/29/597731629.db2.gz ANBKLDHJMOMEOF-KOLCDFICSA-N 0 1 239.340 2.086 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000738571377 597792395 /nfs/dbraw/zinc/79/23/95/597792395.db2.gz UNPPMROLCZRCKK-LBPRGKRZSA-N 0 1 236.315 2.407 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726308 598125859 /nfs/dbraw/zinc/12/58/59/598125859.db2.gz UUPRUWSWOZXALC-ZMLRMANQSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726308 598125860 /nfs/dbraw/zinc/12/58/60/598125860.db2.gz UUPRUWSWOZXALC-ZMLRMANQSA-N 0 1 249.310 2.452 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1C ZINC000083406669 598131012 /nfs/dbraw/zinc/13/10/12/598131012.db2.gz UYUNKNZQQZCQFC-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN Cc1nc(C[NH2+][C@H](CC(C)C)C(=O)[O-])cs1 ZINC000043433064 598208708 /nfs/dbraw/zinc/20/87/08/598208708.db2.gz BDCZNJSXPWDGAT-SNVBAGLBSA-N 0 1 242.344 2.040 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000037914291 599772024 /nfs/dbraw/zinc/77/20/24/599772024.db2.gz HEKDYKRZDPTXOZ-SECBINFHSA-N 0 1 223.272 2.352 20 0 BEADMN CCCC(N)=[NH+]OCc1ccc(C(=O)[O-])cc1 ZINC000736969971 599894058 /nfs/dbraw/zinc/89/40/58/599894058.db2.gz KPADQUVCOTYDGE-UHFFFAOYSA-N 0 1 236.271 2.183 20 0 BEADMN C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCC(=O)[O-] ZINC000299752817 600471702 /nfs/dbraw/zinc/47/17/02/600471702.db2.gz VOMZTQHXSHKWJL-SECBINFHSA-N 0 1 237.274 2.220 20 0 BEADMN Cc1[nH+]cn(Cc2ccc(C(=O)[O-])cc2)c1C ZINC000051926152 600612563 /nfs/dbraw/zinc/61/25/63/600612563.db2.gz WVMSJCRUAWYISL-UHFFFAOYSA-N 0 1 230.267 2.246 20 0 BEADMN C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000049354467 600734076 /nfs/dbraw/zinc/73/40/76/600734076.db2.gz CQRUHVNHCZJOCY-ZWNOBZJWSA-N 0 1 245.278 2.432 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000191402331 601005432 /nfs/dbraw/zinc/00/54/32/601005432.db2.gz CBKIIUOQQRRVNC-VIFPVBQESA-N 0 1 242.706 2.030 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000309325380 601042479 /nfs/dbraw/zinc/04/24/79/601042479.db2.gz GHKHFPKWJATUTR-FOGDFJRCSA-N 0 1 219.284 2.153 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccoc1C)C(=O)[O-] ZINC000084002613 601158071 /nfs/dbraw/zinc/15/80/71/601158071.db2.gz QVROWACERWZAFB-WTKPLQERSA-N 0 1 223.272 2.051 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000133371596 601327944 /nfs/dbraw/zinc/32/79/44/601327944.db2.gz KPSJDGTUGNUXOT-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H]1C ZINC000380664308 601450862 /nfs/dbraw/zinc/45/08/62/601450862.db2.gz WGMBWHMBCSBFAX-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1ccccc1C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223839302 601502294 /nfs/dbraw/zinc/50/22/94/601502294.db2.gz QSJANBLQCWLCQB-YPMHNXCESA-N 0 1 233.311 2.148 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000228003101 601530530 /nfs/dbraw/zinc/53/05/30/601530530.db2.gz XJEBFNNXJFHMCM-OCCSQVGLSA-N 0 1 247.338 2.456 20 0 BEADMN Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000228003114 601530539 /nfs/dbraw/zinc/53/05/39/601530539.db2.gz XJEBFNNXJFHMCM-JSGCOSHPSA-N 0 1 247.338 2.456 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740168587 601954175 /nfs/dbraw/zinc/95/41/75/601954175.db2.gz CRQXOGIHAFJQSB-CYBMUJFWSA-N 0 1 248.326 2.085 20 0 BEADMN CCC[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)[O-])C1 ZINC000191422527 601967000 /nfs/dbraw/zinc/96/70/00/601967000.db2.gz DAQAPPOOTGWJOQ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC1CC1 ZINC000227223265 602034161 /nfs/dbraw/zinc/03/41/61/602034161.db2.gz HZGJGFYVXJXHAE-SRVKXCTJSA-N 0 1 223.316 2.114 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000739585924 602047348 /nfs/dbraw/zinc/04/73/48/602047348.db2.gz RCFRPRKTYRIFLG-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000706961667 602207126 /nfs/dbraw/zinc/20/71/26/602207126.db2.gz FREXWUNKBBVPQA-SCZZXKLOSA-N 0 1 237.324 2.431 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000399393962 602240281 /nfs/dbraw/zinc/24/02/81/602240281.db2.gz LORNASJORGTASW-JSJZCHLLSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000399393960 602240681 /nfs/dbraw/zinc/24/06/81/602240681.db2.gz LORNASJORGTASW-DJTWPOEFSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CCC2(CCC2)C1 ZINC000380387707 602238829 /nfs/dbraw/zinc/23/88/29/602238829.db2.gz URBSTWBIXWYGTH-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CCC2(CCC2)C1 ZINC000380386194 602239111 /nfs/dbraw/zinc/23/91/11/602239111.db2.gz RUKUBQVRRYZOTF-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000380388989 602239193 /nfs/dbraw/zinc/23/91/93/602239193.db2.gz ZMTRBWGFJTUBIZ-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN CC(C)CC[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000738820098 602257399 /nfs/dbraw/zinc/25/73/99/602257399.db2.gz XYHMSCFAPAQTHB-UHFFFAOYSA-N 0 1 242.363 2.354 20 0 BEADMN CCC[N@@H+](CC)CC1CCN(C(=O)[O-])CC1 ZINC000739357946 602258291 /nfs/dbraw/zinc/25/82/91/602258291.db2.gz JFRMGIFILVIDFW-UHFFFAOYSA-N 0 1 228.336 2.108 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000738821184 602260400 /nfs/dbraw/zinc/26/04/00/602260400.db2.gz OZZRDTVPVRRQFO-WDEREUQCSA-N 0 1 228.336 2.153 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000739014123 602275820 /nfs/dbraw/zinc/27/58/20/602275820.db2.gz ZMVFGUMLIMAQIZ-RQMIITCSSA-N 0 1 246.738 2.250 20 0 BEADMN CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739302605 602451829 /nfs/dbraw/zinc/45/18/29/602451829.db2.gz RUNLNDCYXZKXSI-NWDGAFQWSA-N 0 1 242.363 2.497 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739237894 602554957 /nfs/dbraw/zinc/55/49/57/602554957.db2.gz PETOVZYEMQOLRS-VXGBXAGGSA-N 0 1 242.363 2.354 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[O-])cc1 ZINC000740126042 602560644 /nfs/dbraw/zinc/56/06/44/602560644.db2.gz IJYWLQZSBGMYML-LLVKDONJSA-N 0 1 236.315 2.083 20 0 BEADMN CCC[N@@H+](C/C=C\Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358943 602578455 /nfs/dbraw/zinc/57/84/55/602578455.db2.gz SKCCSDIGFHSOEM-TZGMSPROSA-N 0 1 246.738 2.203 20 0 BEADMN CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738817575 602702828 /nfs/dbraw/zinc/70/28/28/602702828.db2.gz BZKJURNIJRVXOP-LBPRGKRZSA-N 0 1 242.363 2.354 20 0 BEADMN CCC[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000739358948 602705210 /nfs/dbraw/zinc/70/52/10/602705210.db2.gz SLMSVUNGRPVSPJ-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738696725 602737234 /nfs/dbraw/zinc/73/72/34/602737234.db2.gz KJBNRVMIAYHCRS-NSHDSACASA-N 0 1 242.363 2.402 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738819681 602768165 /nfs/dbraw/zinc/76/81/65/602768165.db2.gz WITGDDDIKYEOLI-MNOVXSKESA-N 0 1 228.336 2.011 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739084030 602800881 /nfs/dbraw/zinc/80/08/81/602800881.db2.gz YCVJMBLSSQWIHQ-IJLUTSLNSA-N 0 1 240.347 2.107 20 0 BEADMN CC(C)[N@@H+](CCNC(=O)[O-])Cc1ccccc1 ZINC000738847307 603081214 /nfs/dbraw/zinc/08/12/14/603081214.db2.gz BOFNHHMWXNWBHG-UHFFFAOYSA-N 0 1 236.315 2.165 20 0 BEADMN Cc1ccccc1[C@@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000740180311 603084348 /nfs/dbraw/zinc/08/43/48/603084348.db2.gz FCHUHFCDOPKBRQ-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000740658179 603084576 /nfs/dbraw/zinc/08/45/76/603084576.db2.gz KIOQWUXNXQMXFL-SNVBAGLBSA-N 0 1 240.328 2.153 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739218708 603135830 /nfs/dbraw/zinc/13/58/30/603135830.db2.gz LPYSTIYODXIWBX-NSHDSACASA-N 0 1 242.363 2.497 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739056794 603251196 /nfs/dbraw/zinc/25/11/96/603251196.db2.gz GDGRILOGEZOMJK-LLVKDONJSA-N 0 1 236.315 2.337 20 0 BEADMN O=C([O-])N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000738654358 603326456 /nfs/dbraw/zinc/32/64/56/603326456.db2.gz IZHDXRDNJZPVDZ-LBPRGKRZSA-N 0 1 240.347 2.299 20 0 BEADMN O=C([O-])N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000738654357 603326949 /nfs/dbraw/zinc/32/69/49/603326949.db2.gz IZHDXRDNJZPVDZ-GFCCVEGCSA-N 0 1 240.347 2.299 20 0 BEADMN C[N@@H+](CC1CCCC1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739632596 603329608 /nfs/dbraw/zinc/32/96/08/603329608.db2.gz DOWWZLFNQAOCHH-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN C[N@@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739632598 603330247 /nfs/dbraw/zinc/33/02/47/603330247.db2.gz DOWWZLFNQAOCHH-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN CC[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)[C@@H](C)C(C)C ZINC000739414760 603346613 /nfs/dbraw/zinc/34/66/13/603346613.db2.gz OSTXYPYIXUYGEI-NWDGAFQWSA-N 0 1 242.363 2.353 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739184177 603411906 /nfs/dbraw/zinc/41/19/06/603411906.db2.gz VLRFCNCDUAXWLP-MNOVXSKESA-N 0 1 242.363 2.401 20 0 BEADMN CC1(C)CC[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000825719736 604087939 /nfs/dbraw/zinc/08/79/39/604087939.db2.gz VTTQNJAXCQZJKB-UHFFFAOYSA-N 0 1 240.347 2.108 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000739540883 604373472 /nfs/dbraw/zinc/37/34/72/604373472.db2.gz CQNWMWKCRONXNR-CYBMUJFWSA-N 0 1 248.326 2.091 20 0 BEADMN CCc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])s1 ZINC000042705481 604582886 /nfs/dbraw/zinc/58/28/86/604582886.db2.gz ZQKMXRUIWUEHQR-SECBINFHSA-N 0 1 241.356 2.463 20 0 BEADMN CCc1ccc(C[N@@H+](C)C(C)(C)C(=O)[O-])o1 ZINC000083408848 604626367 /nfs/dbraw/zinc/62/63/67/604626367.db2.gz MQDYFMYAKXIMCI-UHFFFAOYSA-N 0 1 225.288 2.137 20 0 BEADMN CCCc1[nH+]ccn1Cc1ccoc1C(=O)[O-] ZINC000070423671 604630273 /nfs/dbraw/zinc/63/02/73/604630273.db2.gz HWCCNYBNCSENTQ-UHFFFAOYSA-N 0 1 234.255 2.175 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000306628354 604769267 /nfs/dbraw/zinc/76/92/67/604769267.db2.gz KEQSUFZCNIJBSG-SECBINFHSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000084347370 604841226 /nfs/dbraw/zinc/84/12/26/604841226.db2.gz DOWHRSLPVREDOQ-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000086756574 605243953 /nfs/dbraw/zinc/24/39/53/605243953.db2.gz HTVXELNBRNQZIC-ZCFIWIBFSA-N 0 1 247.216 2.009 20 0 BEADMN C/C(=C/Cn1cc[nH+]c1C(C)C)C(=O)[O-] ZINC000084001838 605579614 /nfs/dbraw/zinc/57/96/14/605579614.db2.gz KZRNOEBJRLMDNU-WTKPLQERSA-N 0 1 208.261 2.037 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])ccc1F)CC1CC1 ZINC000062753149 605829080 /nfs/dbraw/zinc/82/90/80/605829080.db2.gz XSWOIWAGTHADAM-UHFFFAOYSA-N 0 1 237.274 2.366 20 0 BEADMN CCOc1ccc(CNCCOC(C)C)o1 ZINC000893565326 635164938 /nfs/dbraw/zinc/16/49/38/635164938.db2.gz LTRBXKQLOPKDTN-UHFFFAOYSA-N 0 1 227.304 2.193 20 0 BEADMN CCC[N@H+](Cc1cc(C(=O)[O-])no1)CC(C)C ZINC000310142850 635216992 /nfs/dbraw/zinc/21/69/92/635216992.db2.gz BGEUJSGGCJOQIS-UHFFFAOYSA-N 0 1 240.303 2.241 20 0 BEADMN COC1CC(NCc2c(F)cccc2F)C1 ZINC000230690404 635492825 /nfs/dbraw/zinc/49/28/25/635492825.db2.gz LHVWTFDBKUHWJU-UHFFFAOYSA-N 0 1 227.254 2.232 20 0 BEADMN CS[C@H]1CCC[C@H](NCc2ncccn2)C1 ZINC000235215952 635569593 /nfs/dbraw/zinc/56/95/93/635569593.db2.gz NPVHKCICOPRUGI-QWRGUYRKSA-N 0 1 237.372 2.240 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)CC1 ZINC000235322251 635573973 /nfs/dbraw/zinc/57/39/73/635573973.db2.gz YXBWMGAIARHUMQ-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN CCCCCC(C)(C)C(=O)N1CCNCC1 ZINC000236835924 635608873 /nfs/dbraw/zinc/60/88/73/635608873.db2.gz MEFDUBHQPWMKBU-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CC[C@H](C)CN1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933325587 631256223 /nfs/dbraw/zinc/25/62/23/631256223.db2.gz PZYAQVQMKUMLMB-GXTWGEPZSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@@H](C)CN1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933325590 631257382 /nfs/dbraw/zinc/25/73/82/631257382.db2.gz PZYAQVQMKUMLMB-TZMCWYRMSA-N 0 1 246.354 2.206 20 0 BEADMN CCN(C)Cc1ccc(Br)o1 ZINC000075702330 631273852 /nfs/dbraw/zinc/27/38/52/631273852.db2.gz BWWFTMPKMNODEM-UHFFFAOYSA-N 0 1 218.094 2.494 20 0 BEADMN C[C@H]1CCCN(Cc2nccn2C2CC2)C1 ZINC000891446163 631319496 /nfs/dbraw/zinc/31/94/96/631319496.db2.gz GBXQEHXNIDFUOP-NSHDSACASA-N 0 1 219.332 2.450 20 0 BEADMN CCN(C(C)=O)C1CN(CCCC2CCC2)C1 ZINC000949547723 631358193 /nfs/dbraw/zinc/35/81/93/631358193.db2.gz DPVXFFTTWBJRDI-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)Cc1ccc(CN2CCC[C@H](O)C2)cn1 ZINC000891454882 631367630 /nfs/dbraw/zinc/36/76/30/631367630.db2.gz UGKHYNHQFCPYGQ-HNNXBMFYSA-N 0 1 248.370 2.237 20 0 BEADMN Cc1ccc(CN(C)c2nc(C)cc(N)n2)cc1 ZINC000891474313 631373131 /nfs/dbraw/zinc/37/31/31/631373131.db2.gz PFEFETYHNRUCEJ-UHFFFAOYSA-N 0 1 242.326 2.312 20 0 BEADMN OC[C@H]1CCCN1Cc1cc(O)cc(Cl)c1 ZINC000891568175 631394908 /nfs/dbraw/zinc/39/49/08/631394908.db2.gz OJUADEPIRWXLIS-LLVKDONJSA-N 0 1 241.718 2.002 20 0 BEADMN CC(C)S(=O)(=O)CCN1[C@H](C)CCC[C@H]1C ZINC000178225160 631428213 /nfs/dbraw/zinc/42/82/13/631428213.db2.gz SLRPCTQQTUXJNR-VXGBXAGGSA-N 0 1 247.404 2.073 20 0 BEADMN Cc1cccc(C)c1CN(C)[C@@H](C)C(=O)N(C)C ZINC000933769179 631506119 /nfs/dbraw/zinc/50/61/19/631506119.db2.gz WFOURMHXMZTVTQ-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@@H](NC1CC2(C1)CCCC2)c1ncnn1C ZINC000926260844 631527756 /nfs/dbraw/zinc/52/77/56/631527756.db2.gz GSLUTYQZQJLWOY-SNVBAGLBSA-N 0 1 234.347 2.189 20 0 BEADMN Cc1cc(Cl)ccc1CN1CC[C@@H]1CO ZINC000934012623 631589922 /nfs/dbraw/zinc/58/99/22/631589922.db2.gz BIUMVTVLSIPRDD-GFCCVEGCSA-N 0 1 225.719 2.215 20 0 BEADMN CCCOc1cccc(CN2CC[C@@H]2CO)c1 ZINC000934012351 631590120 /nfs/dbraw/zinc/59/01/20/631590120.db2.gz AQGIEAAVTALTQS-CYBMUJFWSA-N 0 1 235.327 2.042 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000308787591 631647227 /nfs/dbraw/zinc/64/72/27/631647227.db2.gz GYKOOOYAIDYHCZ-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000934103925 631670782 /nfs/dbraw/zinc/67/07/82/631670782.db2.gz GTCKMNLKAHNVJG-NWDGAFQWSA-N 0 1 236.315 2.161 20 0 BEADMN C[C@H](NCCC1(C)CC1)c1cc(CO)on1 ZINC000926325268 631670962 /nfs/dbraw/zinc/67/09/62/631670962.db2.gz JSXZAJMYBPJCAQ-VIFPVBQESA-N 0 1 224.304 2.008 20 0 BEADMN CCc1noc(C)c1CN(C)[C@@H]1CC[C@H]1OC ZINC000934124516 631704370 /nfs/dbraw/zinc/70/43/70/631704370.db2.gz FJUGTFGSUARWLV-CHWSQXEVSA-N 0 1 238.331 2.155 20 0 BEADMN C[C@@]1(C2CC2)COCCN1CCc1ccncc1 ZINC000934476999 631872091 /nfs/dbraw/zinc/87/20/91/631872091.db2.gz AVEAFPKQALGUSD-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@]1(C2CC2)COCCN1CCc1cccnc1 ZINC000934480870 631874326 /nfs/dbraw/zinc/87/43/26/631874326.db2.gz ZNLLQCQQEROAEZ-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CSC[C@H]2C)on1 ZINC000926406753 631892272 /nfs/dbraw/zinc/89/22/72/631892272.db2.gz LMPDPQUNEQNFTB-HRDYMLBCSA-N 0 1 242.344 2.085 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CSC[C@H]2C)on1 ZINC000926406760 631893575 /nfs/dbraw/zinc/89/35/75/631893575.db2.gz LMPDPQUNEQNFTB-VGMNWLOBSA-N 0 1 242.344 2.085 20 0 BEADMN COC(=O)C[C@H]1CCCCN1C/C=C/Cl ZINC000050052706 631939114 /nfs/dbraw/zinc/93/91/14/631939114.db2.gz YLWCBZNSYURSED-DFVUYQKZSA-N 0 1 231.723 2.157 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccnc(Cl)c1 ZINC000309330226 632006656 /nfs/dbraw/zinc/00/66/56/632006656.db2.gz IWFCNMAIFXPLBY-JTQLQIEISA-N 0 1 240.734 2.080 20 0 BEADMN CSCC(C)(C)NCc1ncc(C)cn1 ZINC000934668609 632013822 /nfs/dbraw/zinc/01/38/22/632013822.db2.gz FMHFCTLLSGZPDH-UHFFFAOYSA-N 0 1 225.361 2.016 20 0 BEADMN FCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000308875021 632045406 /nfs/dbraw/zinc/04/54/06/632045406.db2.gz MXFBJPYRTSQYES-GFCCVEGCSA-N 0 1 208.280 2.142 20 0 BEADMN C[C@H](N[C@@H]1CCCc2cn[nH]c21)C(F)(F)F ZINC000309427542 632046529 /nfs/dbraw/zinc/04/65/29/632046529.db2.gz AZRKQVORNLDRPA-POYBYMJQSA-N 0 1 233.237 2.328 20 0 BEADMN CC(F)(F)CN[C@H]1CCCN2CCCC[C@H]12 ZINC000926486319 632124896 /nfs/dbraw/zinc/12/48/96/632124896.db2.gz MXTOWSQUKDCYGF-WDEREUQCSA-N 0 1 232.318 2.248 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2c(C)coc2C)n[nH]1 ZINC000840555414 632128916 /nfs/dbraw/zinc/12/89/16/632128916.db2.gz PPTGJKWNBARIOG-QMMMGPOBSA-N 0 1 249.270 2.241 20 0 BEADMN CC/C=C/CN[C@@H](C)c1cc(OC)no1 ZINC000926516944 632421044 /nfs/dbraw/zinc/42/10/44/632421044.db2.gz QWKXOHSBGSAIDI-CYNONHLPSA-N 0 1 210.277 2.300 20 0 BEADMN Cc1ccncc1CN[C@@H](C)c1ccnnc1 ZINC000926529400 632447565 /nfs/dbraw/zinc/44/75/65/632447565.db2.gz WGYVVVHWBWTGCF-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)nn2)C1 ZINC000157780529 632448483 /nfs/dbraw/zinc/44/84/83/632448483.db2.gz RKRLGNFCFWXNHD-RKDXNWHRSA-N 0 1 225.723 2.360 20 0 BEADMN COc1cccnc1CNC1CC(SC)C1 ZINC000926552062 632487815 /nfs/dbraw/zinc/48/78/15/632487815.db2.gz SMKITYZWAULGCM-UHFFFAOYSA-N 0 1 238.356 2.074 20 0 BEADMN CCC[C@@H](C)C[N@@H+](CC)CCC(=O)[O-] ZINC000051322632 632503683 /nfs/dbraw/zinc/50/36/83/632503683.db2.gz WXQYECXKWNELCR-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1cc(C)c(NNC(=O)[C@H](C)N(C)C)c(C)c1 ZINC000159438401 632536094 /nfs/dbraw/zinc/53/60/94/632536094.db2.gz WICXEWKMSRKCJD-LBPRGKRZSA-N 0 1 249.358 2.005 20 0 BEADMN CCCN(CN1C[C@H](CC)CC1=O)C1CC1 ZINC000176940951 632647717 /nfs/dbraw/zinc/64/77/17/632647717.db2.gz YJEAYRFVGHYPBD-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@H]1C1CCC1 ZINC000926609787 632650789 /nfs/dbraw/zinc/65/07/89/632650789.db2.gz AOJUGGJGRMNIKP-UWJYBYFXSA-N 0 1 235.331 2.465 20 0 BEADMN Cc1cc(=O)[n-]c(C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000309742312 632663516 /nfs/dbraw/zinc/66/35/16/632663516.db2.gz DPESUQUZVKJPIV-SECBINFHSA-N 0 1 223.320 2.015 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC1CCCC1 ZINC000235354202 632675421 /nfs/dbraw/zinc/67/54/21/632675421.db2.gz SATIDVKIDVAREG-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H]2CCC=CO2)no1 ZINC000309871225 632677579 /nfs/dbraw/zinc/67/75/79/632677579.db2.gz QTKXQHRSYOSKTL-GHMZBOCLSA-N 0 1 222.288 2.326 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1cc(CO)on1 ZINC000926617326 632708855 /nfs/dbraw/zinc/70/88/55/632708855.db2.gz XKLQNWHHCBSCMC-YDEJPDAXSA-N 0 1 236.315 2.006 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1cccc(C(=O)[O-])n1 ZINC000310343356 632726031 /nfs/dbraw/zinc/72/60/31/632726031.db2.gz OPKMAMAJJKHLCJ-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CCC[C@H]1CCCCN1CCS(=O)(=O)CC ZINC000179520939 632739729 /nfs/dbraw/zinc/73/97/29/632739729.db2.gz UNUUYMQKBLNJHI-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN Cc1nonc1CNC[C@H]1CCC[C@H](C)C1 ZINC000235638517 632806391 /nfs/dbraw/zinc/80/63/91/632806391.db2.gz PWSCEXBGEWWKSU-ONGXEEELSA-N 0 1 223.320 2.294 20 0 BEADMN C[C@@H]1C[C@H](NCCc2cccs2)c2ncnn21 ZINC000924550699 632818077 /nfs/dbraw/zinc/81/80/77/632818077.db2.gz AXIHOJULRDCTSE-KOLCDFICSA-N 0 1 248.355 2.178 20 0 BEADMN CCCCCC[C@@H](C)NCc1cnn(C)n1 ZINC000309246479 632838867 /nfs/dbraw/zinc/83/88/67/632838867.db2.gz MBQWMMBJKITIRS-LLVKDONJSA-N 0 1 224.352 2.264 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cs1 ZINC000309247324 632838945 /nfs/dbraw/zinc/83/89/45/632838945.db2.gz YSJSHDIUTWJXDR-NSHDSACASA-N 0 1 239.340 2.496 20 0 BEADMN COc1cc([C@@H](C)NC[C@@]2(C)CC2(F)F)on1 ZINC000926706123 632845711 /nfs/dbraw/zinc/84/57/11/632845711.db2.gz RXFLNWOZFOFTOB-GMSGAONNSA-N 0 1 246.257 2.379 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2CC=CC2)n1 ZINC000309259658 632853732 /nfs/dbraw/zinc/85/37/32/632853732.db2.gz HMKYNWGAUXWTTD-SECBINFHSA-N 0 1 207.277 2.159 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccccc1C1CCC1 ZINC000935598599 632854149 /nfs/dbraw/zinc/85/41/49/632854149.db2.gz SDZVWDNJHKBQRF-UHFFFAOYSA-N 0 1 242.282 2.325 20 0 BEADMN COc1cccc(CN[C@@H](C)c2ccnnc2)c1 ZINC000924562173 632863306 /nfs/dbraw/zinc/86/33/06/632863306.db2.gz AWYMPJVFEXWBFR-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN CCCN(CN1C(=O)C(C)(C)C1(C)C)C1CC1 ZINC000177686754 632863350 /nfs/dbraw/zinc/86/33/50/632863350.db2.gz GXIYSODUIQTZKM-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(O)cc(F)c1 ZINC000926726550 632886296 /nfs/dbraw/zinc/88/62/96/632886296.db2.gz ITJBBPLIJFUIRD-WQHBLYJGSA-N 0 1 239.290 2.359 20 0 BEADMN CCc1c(NCc2cnc[nH]2)cnn1CC(C)C ZINC000894365178 635865181 /nfs/dbraw/zinc/86/51/81/635865181.db2.gz WOXLPQLZYLEGIW-UHFFFAOYSA-N 0 1 247.346 2.437 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1coc(C2CC2)n1 ZINC000309424653 633053846 /nfs/dbraw/zinc/05/38/46/633053846.db2.gz KFLQHSJFMXHTDC-KCJUWKMLSA-N 0 1 238.356 2.393 20 0 BEADMN CC(C)COCCCN[C@H](C)c1ncco1 ZINC000924582101 633054137 /nfs/dbraw/zinc/05/41/37/633054137.db2.gz JFLDUODQRBDVDS-LLVKDONJSA-N 0 1 226.320 2.388 20 0 BEADMN CC(C)COCCCN[C@@H](C)c1ncco1 ZINC000924582108 633054602 /nfs/dbraw/zinc/05/46/02/633054602.db2.gz JFLDUODQRBDVDS-NSHDSACASA-N 0 1 226.320 2.388 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299985095 635893987 /nfs/dbraw/zinc/89/39/87/635893987.db2.gz IFIAAUCGZAIGPL-GVXVVHGQSA-N 0 1 249.310 2.273 20 0 BEADMN Cc1[nH]nc(CN2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000894415920 635896238 /nfs/dbraw/zinc/89/62/38/635896238.db2.gz QRJSAZYNXNJITL-KCJUWKMLSA-N 0 1 225.311 2.206 20 0 BEADMN Cc1cncc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000335945269 635897931 /nfs/dbraw/zinc/89/79/31/635897931.db2.gz QQIBNTJFLVNJSZ-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN CCCCCCCNC(=O)[C@H]1CCCN1C ZINC000166787440 633120679 /nfs/dbraw/zinc/12/06/79/633120679.db2.gz XECFJLZSKIMRMB-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CS[C@@H](C)Cc1nc([C@@H](N)C(C)C)no1 ZINC000309476206 633137526 /nfs/dbraw/zinc/13/75/26/633137526.db2.gz RYIPRBKJEPVTPY-CBAPKCEASA-N 0 1 229.349 2.019 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@H]2C(C)C)s1 ZINC000894741682 635920141 /nfs/dbraw/zinc/92/01/41/635920141.db2.gz JQHLKUOHUCLYDV-UWVGGRQHSA-N 0 1 225.361 2.228 20 0 BEADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000278886097 633215448 /nfs/dbraw/zinc/21/54/48/633215448.db2.gz HHQBXZZSMOCMJX-YPMHNXCESA-N 0 1 245.326 2.102 20 0 BEADMN CC(C)CCCCCCNC(=O)c1cnn[nH]1 ZINC000048890811 635951561 /nfs/dbraw/zinc/95/15/61/635951561.db2.gz FBRMDNWKYCVMJP-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN BrC1=CCCN(CC2CC2)C1 ZINC000306255044 635960764 /nfs/dbraw/zinc/96/07/64/635960764.db2.gz RMTSBPIAIVPKTC-UHFFFAOYSA-N 0 1 216.122 2.381 20 0 BEADMN CSc1ccc(CN2C[C@@H](O)CC[C@H]2C)o1 ZINC000895034849 636018046 /nfs/dbraw/zinc/01/80/46/636018046.db2.gz WUFKBBLRDFRIKC-ZJUUUORDSA-N 0 1 241.356 2.347 20 0 BEADMN CCC(N)=NOCc1cccc2cccnc21 ZINC000067385675 636033603 /nfs/dbraw/zinc/03/36/03/636033603.db2.gz WDNBFAWQIXNHLF-UHFFFAOYSA-N 0 1 229.283 2.434 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CCN1C ZINC000928557513 636098338 /nfs/dbraw/zinc/09/83/38/636098338.db2.gz UOQJQKLGSDICOF-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](CCO)N[C@@H]1CCCc2oc(C)nc21 ZINC000925118753 636099866 /nfs/dbraw/zinc/09/98/66/636099866.db2.gz BGOYSLIQRDKYJI-WDEREUQCSA-N 0 1 238.331 2.111 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@H]1CCN1C ZINC000928569996 636115420 /nfs/dbraw/zinc/11/54/20/636115420.db2.gz PLXAHNSZIHSCHJ-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)=CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000727095253 636118993 /nfs/dbraw/zinc/11/89/93/636118993.db2.gz CNIUMDZVCBUKAZ-UHFFFAOYSA-N 0 1 242.282 2.172 20 0 BEADMN C[C@H]1COC[C@H]1NCc1nsc2ccccc12 ZINC000926863424 633729076 /nfs/dbraw/zinc/72/90/76/633729076.db2.gz DMLKHKRGFQRWSO-JOYOIKCWSA-N 0 1 248.351 2.421 20 0 BEADMN C[C@H](C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000328406576 633763039 /nfs/dbraw/zinc/76/30/39/633763039.db2.gz NRDGAONAFAKETR-GMTAPVOTSA-N 0 1 227.348 2.321 20 0 BEADMN C[C@@H](Cc1ccco1)NCc1cscn1 ZINC000040436069 633781618 /nfs/dbraw/zinc/78/16/18/633781618.db2.gz UCCCUSVVCROECT-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN Cc1nnc(CNC[C@@H](C)c2ccncc2)s1 ZINC000893097313 633832397 /nfs/dbraw/zinc/83/23/97/633832397.db2.gz KADHFGXLTFCQQF-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000309483999 633927530 /nfs/dbraw/zinc/92/75/30/633927530.db2.gz UQWLGCHZLQYZNK-PSASIEDQSA-N 0 1 223.320 2.015 20 0 BEADMN CS[C@H]1CCN([C@H](C)c2snnc2C)C1 ZINC000930609866 633933763 /nfs/dbraw/zinc/93/37/63/633933763.db2.gz NFZGEGMOBGZLTP-BDAKNGLRSA-N 0 1 243.401 2.345 20 0 BEADMN CC1(NCc2cc3c(cccc3O)s2)COC1 ZINC000895445437 636146011 /nfs/dbraw/zinc/14/60/11/636146011.db2.gz ZSGKNHLIEKAYOV-UHFFFAOYSA-N 0 1 249.335 2.485 20 0 BEADMN Cc1cc(CNc2cc(Cl)nc(C)n2)n[nH]1 ZINC000309858204 634030754 /nfs/dbraw/zinc/03/07/54/634030754.db2.gz LJRBVAQHOROUAV-UHFFFAOYSA-N 0 1 237.694 2.082 20 0 BEADMN CC(C)Cn1nccc1CN1CC[C@H](CF)C1 ZINC000895568263 636159322 /nfs/dbraw/zinc/15/93/22/636159322.db2.gz NRYKAIHEJRQZHX-GFCCVEGCSA-N 0 1 239.338 2.331 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000162357318 634092603 /nfs/dbraw/zinc/09/26/03/634092603.db2.gz BMCPFAOYVRAQSJ-VIFPVBQESA-N 0 1 230.267 2.248 20 0 BEADMN COC/C(C)=C/CN1CCO[C@](C)(C2CC2)C1 ZINC000930922889 634179174 /nfs/dbraw/zinc/17/91/74/634179174.db2.gz IGWATXXGMZMHKF-CYIWUNGXSA-N 0 1 239.359 2.080 20 0 BEADMN CC[C@H](CO)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000931084608 634213178 /nfs/dbraw/zinc/21/31/78/634213178.db2.gz QQYCXMKBARRHQJ-OLZOCXBDSA-N 0 1 234.343 2.235 20 0 BEADMN CCc1onc(C)c1CN(C)CC1(C)COC1 ZINC000931172184 634246867 /nfs/dbraw/zinc/24/68/67/634246867.db2.gz IFBKFQFNGTWCGY-UHFFFAOYSA-N 0 1 238.331 2.014 20 0 BEADMN CC(C)Cn1ccnc1CNC[C@@H]1CCC=CO1 ZINC000194562484 634322851 /nfs/dbraw/zinc/32/28/51/634322851.db2.gz JVJNEJWXCGWXMA-ZDUSSCGKSA-N 0 1 249.358 2.321 20 0 BEADMN O=C(OC[C@@H]1CCCN1Cc1ccco1)C1CC1 ZINC000162853720 635145075 /nfs/dbraw/zinc/14/50/75/635145075.db2.gz SEPIBMJPPRUYLH-LBPRGKRZSA-N 0 1 249.310 2.197 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(C)CCC2CC2)C1 ZINC000162884017 635145771 /nfs/dbraw/zinc/14/57/71/635145771.db2.gz XMAAXBKCFXJYOS-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN Cc1cc(CN[C@H]2CCOC3(CCC3)C2)no1 ZINC000094371009 635315754 /nfs/dbraw/zinc/31/57/54/635315754.db2.gz ZMEJGSUTNOHXJT-NSHDSACASA-N 0 1 236.315 2.174 20 0 BEADMN CC(C)CONC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000866897535 635624880 /nfs/dbraw/zinc/62/48/80/635624880.db2.gz XREVTVICPZWEQF-LLVKDONJSA-N 0 1 243.347 2.286 20 0 BEADMN C[C@H](NCCc1ccccc1O)c1cn(C)cn1 ZINC000924898727 635754346 /nfs/dbraw/zinc/75/43/46/635754346.db2.gz QFPIVJWEUFJTCE-NSHDSACASA-N 0 1 245.326 2.019 20 0 BEADMN C[C@@H](CNC(=O)c1cnccc1N)C(C)(C)C ZINC000163157831 636059529 /nfs/dbraw/zinc/05/95/29/636059529.db2.gz VWZPKHUJHQZGBC-VIFPVBQESA-N 0 1 235.331 2.076 20 0 BEADMN CC(C)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895469849 636147092 /nfs/dbraw/zinc/14/70/92/636147092.db2.gz LOYPQOARTBRVER-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN Cc1noc(C(C)C)c1NC(=O)Cc1cnc[nH]1 ZINC000928778780 636358076 /nfs/dbraw/zinc/35/80/76/636358076.db2.gz ACMMCZSJDRCJHC-UHFFFAOYSA-N 0 1 248.286 2.011 20 0 BEADMN CC[C@@H](C[C@@](C)(O)CC)NCc1ccon1 ZINC000925212446 636392869 /nfs/dbraw/zinc/39/28/69/636392869.db2.gz QNSCZGKAOWAWMB-JQWIXIFHSA-N 0 1 226.320 2.094 20 0 BEADMN CCCOC(=O)[C@H](C)N(CCC)C1CC1 ZINC000160569135 636441569 /nfs/dbraw/zinc/44/15/69/636441569.db2.gz CBQCEKMNAYFACU-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN C(N[C@H]1CCCC12CC2)c1noc2c1COCC2 ZINC000897366908 636493716 /nfs/dbraw/zinc/49/37/16/636493716.db2.gz RUDALXUYDZMVIV-ZDUSSCGKSA-N 0 1 248.326 2.170 20 0 BEADMN C[C@H](NC[C@@H]1CCCS1)c1ncco1 ZINC000925256099 636528065 /nfs/dbraw/zinc/52/80/65/636528065.db2.gz CYQMOZZDTFCWMJ-IUCAKERBSA-N 0 1 212.318 2.221 20 0 BEADMN CCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000083185039 636824200 /nfs/dbraw/zinc/82/42/00/636824200.db2.gz FUQCGLBXYLSALP-UHFFFAOYSA-N 0 1 220.228 2.237 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2ccsc2)n1 ZINC000041052645 636958004 /nfs/dbraw/zinc/95/80/04/636958004.db2.gz LKUIKBVRFUVSJY-QMMMGPOBSA-N 0 1 223.301 2.454 20 0 BEADMN C[C@H](NC[C@]1(C)CCCCO1)c1nccn1C ZINC000927018221 636989117 /nfs/dbraw/zinc/98/91/17/636989117.db2.gz LDRGIDONRFUATK-AAEUAGOBSA-N 0 1 237.347 2.030 20 0 BEADMN CCn1cnnc1CNC1CC2(C1)CCCC2 ZINC000924683053 636989741 /nfs/dbraw/zinc/98/97/41/636989741.db2.gz CTGKKNIFKGIUDQ-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OCC1CC=CC1 ZINC000923891429 637004043 /nfs/dbraw/zinc/00/40/43/637004043.db2.gz MDRQDAHGOREDEF-CYBMUJFWSA-N 0 1 237.343 2.369 20 0 BEADMN C[C@H](NCCCCn1ccnc1)c1ncco1 ZINC000924732347 637040553 /nfs/dbraw/zinc/04/05/53/637040553.db2.gz NGBOZJQCBNWOLE-NSHDSACASA-N 0 1 234.303 2.002 20 0 BEADMN C/C=C/C[C@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC000899886288 637147955 /nfs/dbraw/zinc/14/79/55/637147955.db2.gz OKQVFNGAMZWHHQ-LQPUYASZSA-N 0 1 248.374 2.476 20 0 BEADMN CC1(C)CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000901026648 637228021 /nfs/dbraw/zinc/22/80/21/637228021.db2.gz VISPVMFGJOIAPE-VIFPVBQESA-N 0 1 239.294 2.247 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000042416956 637238762 /nfs/dbraw/zinc/23/87/62/637238762.db2.gz RGMUGXXDWULFFP-UHFFFAOYSA-N 0 1 238.287 2.137 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000042437558 637245235 /nfs/dbraw/zinc/24/52/35/637245235.db2.gz VCMUEVXUTZMTFS-SECBINFHSA-N 0 1 241.718 2.493 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)c1ccc(F)cc1 ZINC000901427307 637250094 /nfs/dbraw/zinc/25/00/94/637250094.db2.gz YMFFCKIZUPWWAY-JTQLQIEISA-N 0 1 239.290 2.336 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2[nH]ccc2c1 ZINC000901426788 637250710 /nfs/dbraw/zinc/25/07/10/637250710.db2.gz QSMJGDZBCXIFPJ-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc2ccc(C)cc2[nH]1 ZINC000901426784 637251588 /nfs/dbraw/zinc/25/15/88/637251588.db2.gz QQEAFXJLSFOIKP-UHFFFAOYSA-N 0 1 246.310 2.383 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000903598686 637373438 /nfs/dbraw/zinc/37/34/38/637373438.db2.gz XDUXCZINFCLPOM-NNYUYHANSA-N 0 1 227.348 2.464 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000903601563 637374284 /nfs/dbraw/zinc/37/42/84/637374284.db2.gz HKTNCVQUHQCGHT-VHSXEESVSA-N 0 1 247.285 2.074 20 0 BEADMN Cc1cnc(-c2nc([C@@H](N)C(C)C)no2)cc1C ZINC000904501399 637430211 /nfs/dbraw/zinc/43/02/11/637430211.db2.gz YMTFZIFGPRRMFQ-NSHDSACASA-N 0 1 246.314 2.404 20 0 BEADMN CCCCn1cc(CN(C)C(C)(C)C)nn1 ZINC000905056890 637594148 /nfs/dbraw/zinc/59/41/48/637594148.db2.gz KHKKRLHHUJPWRU-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN CCC(CC)(CC)[S@](=O)Cc1c[nH]nn1 ZINC000905167613 637680059 /nfs/dbraw/zinc/68/00/59/637680059.db2.gz LIMTXLGNAGSTST-OAHLLOKOSA-N 0 1 229.349 2.022 20 0 BEADMN CC1(C)CCC([S@@](=O)Cc2c[nH]nn2)CC1 ZINC000905171012 637681524 /nfs/dbraw/zinc/68/15/24/637681524.db2.gz VPNOOFSEJUGRDH-INIZCTEOSA-N 0 1 241.360 2.022 20 0 BEADMN CCC[N@H+](CC(=O)[O-])Cc1c(C)nsc1C ZINC000905370643 637791700 /nfs/dbraw/zinc/79/17/00/637791700.db2.gz YIQLBKJFZLAQGM-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)nsc1C ZINC000905370643 637791707 /nfs/dbraw/zinc/79/17/07/637791707.db2.gz YIQLBKJFZLAQGM-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN O[C@H](CN[C@@H]1c2ccccc2CC[C@H]1F)C1CC1 ZINC000905451036 637810297 /nfs/dbraw/zinc/81/02/97/637810297.db2.gz CNRISBYPSFZDEI-RBSFLKMASA-N 0 1 249.329 2.373 20 0 BEADMN NCc1nccn1CC[C@@H]1CCCC1(F)F ZINC000905735840 637905053 /nfs/dbraw/zinc/90/50/53/637905053.db2.gz XKQJNIMCMBOZEU-VIFPVBQESA-N 0 1 229.274 2.167 20 0 BEADMN CC[C@H](C)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905791475 637932208 /nfs/dbraw/zinc/93/22/08/637932208.db2.gz DSHTVLGNGMCWKW-JTQLQIEISA-N 0 1 224.352 2.479 20 0 BEADMN CN(Cc1cn(CC2CC=CC2)nn1)C(C)(C)C ZINC000905803872 637933143 /nfs/dbraw/zinc/93/31/43/637933143.db2.gz VJSLSBFMIOWFAZ-UHFFFAOYSA-N 0 1 248.374 2.475 20 0 BEADMN CCc1oc(C[NH2+]C/C=C\Cl)cc1C(=O)[O-] ZINC000905809531 637937201 /nfs/dbraw/zinc/93/72/01/637937201.db2.gz BZBFRDMFCRFZNU-ARJAWSKDSA-N 0 1 243.690 2.382 20 0 BEADMN CN(Cc1cn(C/C=C/Cl)nn1)C(C)(C)C ZINC000905815917 637944985 /nfs/dbraw/zinc/94/49/85/637944985.db2.gz MZIIOUYSADQKIO-AATRIKPKSA-N 0 1 242.754 2.261 20 0 BEADMN CC(C)NCc1cn(C/C(Cl)=C\Cl)nn1 ZINC000905816644 637945168 /nfs/dbraw/zinc/94/51/68/637945168.db2.gz QHHKEBPNYIAYRF-FPYGCLRLSA-N 0 1 249.145 2.095 20 0 BEADMN C[C@H]1CCN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000905974664 637991989 /nfs/dbraw/zinc/99/19/89/637991989.db2.gz LUTJRNFVAYTQSM-UFBFGSQYSA-N 0 1 227.254 2.092 20 0 BEADMN CNCc1ncc(-c2ccc(OC)cc2C)cn1 ZINC000906172241 638085588 /nfs/dbraw/zinc/08/55/88/638085588.db2.gz PQPQXYNEDADVJD-UHFFFAOYSA-N 0 1 243.310 2.180 20 0 BEADMN FC(F)(F)c1cc(-c2cn3c(n2)CCC3)[nH]n1 ZINC000906171208 638086437 /nfs/dbraw/zinc/08/64/37/638086437.db2.gz SJYAXRYFTUOVLV-UHFFFAOYSA-N 0 1 242.204 2.238 20 0 BEADMN c1ccc(-c2cnc([C@@H]3CCCCN3)nc2)nc1 ZINC000906162550 638099883 /nfs/dbraw/zinc/09/98/83/638099883.db2.gz CPAKKAKPUBUXCN-ZDUSSCGKSA-N 0 1 240.310 2.353 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1cn(C2CC2)nn1 ZINC000906272298 638123925 /nfs/dbraw/zinc/12/39/25/638123925.db2.gz VVDOPKBYUBDNHN-LLVKDONJSA-N 0 1 236.363 2.481 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cn(C2CC2)nn1 ZINC000906296537 638137533 /nfs/dbraw/zinc/13/75/33/638137533.db2.gz MPQPAKCYMUAACH-GXFFZTMASA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1CCC(C)(C)N1Cc1cn(C2CC2)nn1 ZINC000906309431 638139745 /nfs/dbraw/zinc/13/97/45/638139745.db2.gz KHAPMJXMAWOONA-JTQLQIEISA-N 0 1 234.347 2.376 20 0 BEADMN c1c(CN2CC[C@@H](C3CCC3)C2)nnn1C1CC1 ZINC000906309965 638140817 /nfs/dbraw/zinc/14/08/17/638140817.db2.gz OZKRWMZTGFFPFH-GFCCVEGCSA-N 0 1 246.358 2.235 20 0 BEADMN Fc1cccc([C@H]2C[C@@H]2N2CCCOCC2)c1 ZINC000906593432 638212193 /nfs/dbraw/zinc/21/21/93/638212193.db2.gz VUDMLAWJQRBSFI-KGLIPLIRSA-N 0 1 235.302 2.404 20 0 BEADMN CCC1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000907505940 638395103 /nfs/dbraw/zinc/39/51/03/638395103.db2.gz FBTJDVBIHOCVRH-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC000907629598 638424197 /nfs/dbraw/zinc/42/41/97/638424197.db2.gz FYUCKLLJHQOHHQ-MNOVXSKESA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000908555559 639012614 /nfs/dbraw/zinc/01/26/14/639012614.db2.gz GOVAISOPXQYDNR-CQSZACIVSA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000908558078 639014135 /nfs/dbraw/zinc/01/41/35/639014135.db2.gz MVZUIXYQRMEVIN-DTWKUNHWSA-N 0 1 239.294 2.105 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000908558079 639014944 /nfs/dbraw/zinc/01/49/44/639014944.db2.gz MVZUIXYQRMEVIN-IUCAKERBSA-N 0 1 239.294 2.105 20 0 BEADMN CCC(C)=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908698809 639048328 /nfs/dbraw/zinc/04/83/28/639048328.db2.gz CHOSNGIYFFBLEF-BQYQJAHWSA-N 0 1 230.271 2.253 20 0 BEADMN CC1=C(C(=O)Nc2cccc3[nH]nnc32)CCC1 ZINC000908700196 639053011 /nfs/dbraw/zinc/05/30/11/639053011.db2.gz JAHCDIORHSTALI-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C(\C)Cl ZINC000909208806 639173613 /nfs/dbraw/zinc/17/36/13/639173613.db2.gz RSHYULNSTNEYLS-RJCSOLBVSA-N 0 1 244.766 2.072 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CCC2(C)CC2)n[nH]1 ZINC000910038110 639344698 /nfs/dbraw/zinc/34/46/98/639344698.db2.gz PGWNXOGNMPQDJP-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)CC1CC1 ZINC000037925513 711469364 /nfs/dbraw/zinc/46/93/64/711469364.db2.gz JTZMYQSVTFUXNV-UHFFFAOYSA-N 0 1 227.739 2.224 20 0 BEADMN Cc1cccc(N(CCC(=O)[O-])CC(C)C)[nH+]1 ZINC000910411640 639440765 /nfs/dbraw/zinc/44/07/65/639440765.db2.gz RRZRVCJPXRAYHP-UHFFFAOYSA-N 0 1 236.315 2.327 20 0 BEADMN C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H](C)C(=O)[O-] ZINC000910431760 639446680 /nfs/dbraw/zinc/44/66/80/639446680.db2.gz ZFOBEZFYPZWXEZ-HTQZYQBOSA-N 0 1 233.271 2.084 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000910450662 639454296 /nfs/dbraw/zinc/45/42/96/639454296.db2.gz CFFSBDGSNLIWHU-DMDPSCGWSA-N 0 1 246.310 2.080 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000910450669 639454978 /nfs/dbraw/zinc/45/49/78/639454978.db2.gz CFFSBDGSNLIWHU-GMXVVIOVSA-N 0 1 246.310 2.080 20 0 BEADMN CCCCN(CCCO)[C@@H](C)c1ncccn1 ZINC000930237132 639644672 /nfs/dbraw/zinc/64/46/72/639644672.db2.gz RLTYGZFCSWRQMK-LBPRGKRZSA-N 0 1 237.347 2.022 20 0 BEADMN Cc1nnsc1[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000930273211 639674857 /nfs/dbraw/zinc/67/48/57/639674857.db2.gz OBEZWJGOUNEDGY-OOZYFLPDSA-N 0 1 211.334 2.390 20 0 BEADMN Cc1cc(CN2[C@@H](C)C[C@@H]2C)c(C)nn1 ZINC000930272147 639675473 /nfs/dbraw/zinc/67/54/73/639675473.db2.gz BHGVQWJXXNDCQC-UWVGGRQHSA-N 0 1 205.305 2.076 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C1CCC1 ZINC000911606902 639675641 /nfs/dbraw/zinc/67/56/41/639675641.db2.gz UVSRGSFHBZIPHO-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)C(C)(C)C ZINC000911591646 639677786 /nfs/dbraw/zinc/67/77/86/639677786.db2.gz TXFOSOAHGGRKCN-JOYOIKCWSA-N 0 1 249.358 2.333 20 0 BEADMN CO[C@@]1(C)CCCN([C@H](C)c2ncccn2)CC1 ZINC000930290221 639681505 /nfs/dbraw/zinc/68/15/05/639681505.db2.gz YLIRDYYRERMEFA-OCCSQVGLSA-N 0 1 249.358 2.429 20 0 BEADMN COC/C(C)=C/CN(C)Cc1cnccc1C ZINC000930293064 639684459 /nfs/dbraw/zinc/68/44/59/639684459.db2.gz YSJLKWZEBAGFPG-WUXMJOGZSA-N 0 1 234.343 2.415 20 0 BEADMN CCN(C(=O)c1cccc(F)c1O)C(C)C ZINC000930311311 639696113 /nfs/dbraw/zinc/69/61/13/639696113.db2.gz HHUWOMNCGYXRAO-UHFFFAOYSA-N 0 1 225.263 2.402 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2cc(C)nnc2C)CCCO1 ZINC000930317204 639701294 /nfs/dbraw/zinc/70/12/94/639701294.db2.gz PPONSNSMXYOQHR-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)nnc2C)CCCO1 ZINC000930317204 639701307 /nfs/dbraw/zinc/70/13/07/639701307.db2.gz PPONSNSMXYOQHR-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CC[C@@H]1CN([C@H](C)C2CC2)C[C@H](C)[S@@]1=O ZINC000930453766 639757640 /nfs/dbraw/zinc/75/76/40/639757640.db2.gz BFFJWQBQCBJIFV-MAWWSGROSA-N 0 1 229.389 2.016 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1c(F)cncc1F ZINC000930455215 639760169 /nfs/dbraw/zinc/76/01/69/639760169.db2.gz IKQZEFJTSLMJHC-RDDDGLTNSA-N 0 1 244.310 2.201 20 0 BEADMN COC[C@H](CN1Cc2ccncc2C1)C(C)C ZINC000930462055 639764421 /nfs/dbraw/zinc/76/44/21/639764421.db2.gz DXUDHWINTSQQAT-AWEZNQCLSA-N 0 1 234.343 2.316 20 0 BEADMN Cc1[nH+]c(NCC2CCC2)ccc1C(=O)[O-] ZINC000133890724 711474757 /nfs/dbraw/zinc/47/47/57/711474757.db2.gz JRYRZMBNHTXTNO-UHFFFAOYSA-N 0 1 220.272 2.300 20 0 BEADMN CCOC1CC(N(C)Cc2[nH]c(C)nc2C)C1 ZINC000930487054 639777424 /nfs/dbraw/zinc/77/74/24/639777424.db2.gz CSCHOPWZNQJVKC-UHFFFAOYSA-N 0 1 237.347 2.026 20 0 BEADMN CCOC1CC(N(C)Cc2cc(C)nnc2C)C1 ZINC000930486857 639777686 /nfs/dbraw/zinc/77/76/86/639777686.db2.gz AITLGUOGXBDTCB-UHFFFAOYSA-N 0 1 249.358 2.093 20 0 BEADMN CCOC1CC(N(C)Cc2cnc(CC)o2)C1 ZINC000930489662 639777990 /nfs/dbraw/zinc/77/79/90/639777990.db2.gz ZMDMQOILHICIFR-UHFFFAOYSA-N 0 1 238.331 2.236 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H]1C ZINC000930582822 639814098 /nfs/dbraw/zinc/81/40/98/639814098.db2.gz RSGRVFOEPRHWBB-IMSYWVGJSA-N 0 1 237.265 2.437 20 0 BEADMN CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@@](C)(F)C1 ZINC000930594001 639815223 /nfs/dbraw/zinc/81/52/23/639815223.db2.gz DXWDATKRZHKVQY-DMDPSCGWSA-N 0 1 243.322 2.010 20 0 BEADMN CC1(C)OCC[C@H]1NCc1c(F)cncc1F ZINC000930607517 639818740 /nfs/dbraw/zinc/81/87/40/639818740.db2.gz YVUZFIKRJKQRQU-LLVKDONJSA-N 0 1 242.269 2.017 20 0 BEADMN COC/C(C)=C\CN(C)Cc1ccc(C)cn1 ZINC000930615191 639823277 /nfs/dbraw/zinc/82/32/77/639823277.db2.gz TVRUUIJYYGEHMJ-QPEQYQDCSA-N 0 1 234.343 2.415 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ncccn2)C1(C)C ZINC000930629660 639829975 /nfs/dbraw/zinc/82/99/75/639829975.db2.gz WKFLCDPPZMTQLC-MISXGVKJSA-N 0 1 249.358 2.331 20 0 BEADMN C[C@@H]1CN(C(=O)C(C)(C)CC(C)(C)C)CCN1 ZINC000911808527 639830001 /nfs/dbraw/zinc/83/00/01/639830001.db2.gz CQVIXMQGBAFRHW-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2ncccn2)C1(C)C ZINC000930629656 639830439 /nfs/dbraw/zinc/83/04/39/639830439.db2.gz WKFLCDPPZMTQLC-COPLHBTASA-N 0 1 249.358 2.331 20 0 BEADMN C[C@H](N[C@H]1CCC1(C)C)c1ncccn1 ZINC000930632168 639834137 /nfs/dbraw/zinc/83/41/37/639834137.db2.gz XOOUXGJCFOLDCL-UWVGGRQHSA-N 0 1 205.305 2.316 20 0 BEADMN C[C@@H](NCc1nncs1)C1CCCC1 ZINC000930659049 639847938 /nfs/dbraw/zinc/84/79/38/639847938.db2.gz UBOVPKUIACMWIJ-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2ncccn2)C12CCC2 ZINC000930699791 639865972 /nfs/dbraw/zinc/86/59/72/639865972.db2.gz MAXLLDVZUPUSSQ-QJPTWQEYSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@@H](NCC1CC(C)C1)c1csnn1 ZINC000930726010 639879553 /nfs/dbraw/zinc/87/95/53/639879553.db2.gz JXJHDULLTMQJPG-QJAFJHJLSA-N 0 1 211.334 2.235 20 0 BEADMN COc1ccccc1C1(NCCOC2CC2)CC1 ZINC000930815327 639915670 /nfs/dbraw/zinc/91/56/70/639915670.db2.gz UMTWSIVZZKBLBX-UHFFFAOYSA-N 0 1 247.338 2.453 20 0 BEADMN CCc1nc[nH]c1C(=O)N(C)c1ccsc1 ZINC000912003117 639919860 /nfs/dbraw/zinc/91/98/60/639919860.db2.gz GUZTVVOINYKRKX-UHFFFAOYSA-N 0 1 235.312 2.310 20 0 BEADMN Cc1nc(C)c(C(=O)N(C)c2ccsc2)[nH]1 ZINC000912003209 639920015 /nfs/dbraw/zinc/92/00/15/639920015.db2.gz HYXXHPPHTASKIG-UHFFFAOYSA-N 0 1 235.312 2.365 20 0 BEADMN CC(C)[C@H](C(=O)N(C)c1ccsc1)N(C)C ZINC000912008948 639920789 /nfs/dbraw/zinc/92/07/89/639920789.db2.gz DRFLDWGMAFNSNP-LLVKDONJSA-N 0 1 240.372 2.297 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC1(C)CC=CC1 ZINC000912045880 639933674 /nfs/dbraw/zinc/93/36/74/639933674.db2.gz GEJAOCGLIQBXPD-LLVKDONJSA-N 0 1 236.359 2.084 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)[C@H](CC)CO1 ZINC000930853954 639950472 /nfs/dbraw/zinc/95/04/72/639950472.db2.gz XAXHQPNXFUQUFC-XCEACWERSA-N 0 1 241.375 2.469 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@H]1CCCC2(CCC2)O1 ZINC000930914470 639983748 /nfs/dbraw/zinc/98/37/48/639983748.db2.gz FCRRUFYBIDKIJY-CYBMUJFWSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H](c1ccc(F)nc1)N(C)Cc1cnc[nH]1 ZINC000930913958 639984958 /nfs/dbraw/zinc/98/49/58/639984958.db2.gz BUWGVBSFBBWNJS-SECBINFHSA-N 0 1 234.278 2.137 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000931021902 640025945 /nfs/dbraw/zinc/02/59/45/640025945.db2.gz QBGRXZCOQIJSGT-MNOVXSKESA-N 0 1 238.331 2.236 20 0 BEADMN CO[C@H]1CN(C[C@H]2CC3CCC2CC3)CCO1 ZINC000931035403 640027730 /nfs/dbraw/zinc/02/77/30/640027730.db2.gz MGLATHWERPQEAO-NWINJMCUSA-N 0 1 239.359 2.117 20 0 BEADMN CC(C(=O)N1CC(N2CCCC2)C1)=C1CCCC1 ZINC000912324887 640029628 /nfs/dbraw/zinc/02/96/28/640029628.db2.gz JOXSXUXCWXGGSQ-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN CCc1ncc(CN2CC[C@@H]3C[C@@H]3C2)o1 ZINC000931059412 640047370 /nfs/dbraw/zinc/04/73/70/640047370.db2.gz QDVIRLSXQGBLKV-NXEZZACHSA-N 0 1 206.289 2.079 20 0 BEADMN C[C@@H](C1CC1)N1CCO[C@@](C)(C(F)F)C1 ZINC000931079607 640062137 /nfs/dbraw/zinc/06/21/37/640062137.db2.gz MDLJTCDXKRKISS-GZMMTYOYSA-N 0 1 219.275 2.141 20 0 BEADMN c1nnc([C@@H]2CCC[N@H+]2CC2CCCC2)[n-]1 ZINC000931137891 640071039 /nfs/dbraw/zinc/07/10/39/640071039.db2.gz TWHBOQKHEVQZGA-NSHDSACASA-N 0 1 220.320 2.132 20 0 BEADMN c1nnc([C@@H]2CCC[N@@H+]2CC2CCCC2)[n-]1 ZINC000931137891 640071044 /nfs/dbraw/zinc/07/10/44/640071044.db2.gz TWHBOQKHEVQZGA-NSHDSACASA-N 0 1 220.320 2.132 20 0 BEADMN c1nnc([C@@H]2CCCN2[C@@H]2C=CCCC2)[nH]1 ZINC000931137238 640073883 /nfs/dbraw/zinc/07/38/83/640073883.db2.gz XSIBBDWCTYGEEE-MNOVXSKESA-N 0 1 218.304 2.050 20 0 BEADMN Cc1cn(C)nc1CN1C[C@@H]2CCCC[C@@]21C ZINC000931333452 640163093 /nfs/dbraw/zinc/16/30/93/640163093.db2.gz WPNRCICONMIIET-JSGCOSHPSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@H]1CN(C/C=C/Cl)Cc2c[nH]nc21 ZINC000931456544 640214466 /nfs/dbraw/zinc/21/44/66/640214466.db2.gz WAKYPVBVCBAXQF-SGJFDWMWSA-N 0 1 211.696 2.081 20 0 BEADMN C[C@H]1CN(CCOC(C)(C)C)Cc2c[nH]nc21 ZINC000931459510 640216078 /nfs/dbraw/zinc/21/60/78/640216078.db2.gz QHFBQOCGUAMSJR-JTQLQIEISA-N 0 1 237.347 2.144 20 0 BEADMN C[C@@H]1CN([C@H]2C=CCCC2)Cc2c[nH]nc21 ZINC000931457917 640216239 /nfs/dbraw/zinc/21/62/39/640216239.db2.gz CVFAXGDGEWAWAD-PWSUYJOCSA-N 0 1 217.316 2.438 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)Cc2c[nH]nc21 ZINC000931462311 640222844 /nfs/dbraw/zinc/22/28/44/640222844.db2.gz NNVHWNMFUSHHPJ-LLVKDONJSA-N 0 1 249.358 2.146 20 0 BEADMN CC(C)COCCN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931463876 640223224 /nfs/dbraw/zinc/22/32/24/640223224.db2.gz WWPAWYKBMDBPBD-LLVKDONJSA-N 0 1 237.347 2.001 20 0 BEADMN C[C@H]1CN(CCOCC2CCC2)Cc2c[nH]nc21 ZINC000931462312 640223700 /nfs/dbraw/zinc/22/37/00/640223700.db2.gz NNVHWNMFUSHHPJ-NSHDSACASA-N 0 1 249.358 2.146 20 0 BEADMN CC1(C)CCC(C)(C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000912986747 640263421 /nfs/dbraw/zinc/26/34/21/640263421.db2.gz HHNBIBSGGIJJJV-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN COC/C(C)=C/CN[C@@H](C)c1nccnc1C ZINC000931618779 640291223 /nfs/dbraw/zinc/29/12/23/640291223.db2.gz RENZUJWFASPNOT-UAWPZABVSA-N 0 1 235.331 2.028 20 0 BEADMN CCc1ncc(CN(C)C2(COC)CCC2)o1 ZINC000931622360 640293810 /nfs/dbraw/zinc/29/38/10/640293810.db2.gz KGNFHMAKMSLHBD-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN O=C(CCc1nc[nH]n1)OC1CCCCCC1 ZINC000151118055 640302706 /nfs/dbraw/zinc/30/27/06/640302706.db2.gz KQKPDNIKQKJFRI-UHFFFAOYSA-N 0 1 237.303 2.003 20 0 BEADMN C/C=C\COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913301912 640346639 /nfs/dbraw/zinc/34/66/39/640346639.db2.gz GKDHKSUFKIPNQC-IHWYPQMZSA-N 0 1 232.239 2.403 20 0 BEADMN COCCOc1ccc(NCc2cnc[nH]2)cc1 ZINC000054764820 640403358 /nfs/dbraw/zinc/40/33/58/640403358.db2.gz JWCQCBSWKWGVRZ-UHFFFAOYSA-N 0 1 247.298 2.047 20 0 BEADMN COc1ccc(OC)c(NCc2cnc[nH]2)c1 ZINC000054763134 640404081 /nfs/dbraw/zinc/40/40/81/640404081.db2.gz QPGNSSZENPZWNM-UHFFFAOYSA-N 0 1 233.271 2.039 20 0 BEADMN CCOc1ccccc1NCc1cnc[nH]1 ZINC000054762983 640405154 /nfs/dbraw/zinc/40/51/54/640405154.db2.gz UUAROQDNMUAZGD-UHFFFAOYSA-N 0 1 217.272 2.421 20 0 BEADMN COc1ccc(NCc2cnc[nH]2)c(OC)c1 ZINC000054762964 640405952 /nfs/dbraw/zinc/40/59/52/640405952.db2.gz IWEITVOEUIDBEM-UHFFFAOYSA-N 0 1 233.271 2.039 20 0 BEADMN CCc1nc(CNC[C@H](O)CC(C)C)cs1 ZINC000163727553 640414103 /nfs/dbraw/zinc/41/41/03/640414103.db2.gz LCPOXAMXKZNJAB-LLVKDONJSA-N 0 1 242.388 2.202 20 0 BEADMN OCc1ccccc1CNCc1ccoc1 ZINC000163802828 640419600 /nfs/dbraw/zinc/41/96/00/640419600.db2.gz HQCQZFTZPFUSAA-UHFFFAOYSA-N 0 1 217.268 2.062 20 0 BEADMN CSCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932081444 640423064 /nfs/dbraw/zinc/42/30/64/640423064.db2.gz SCWMTGGIHIVSKV-SSDOTTSWSA-N 0 1 245.335 2.329 20 0 BEADMN C[C@H]1CCN(CC2(Br)CC2)CCO1 ZINC000932334984 640477767 /nfs/dbraw/zinc/47/77/67/640477767.db2.gz IVKCWZLUDBTVTN-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN Cc1ccnc(CN2CCO[C@H](C)CC2)c1 ZINC000932338824 640480394 /nfs/dbraw/zinc/48/03/94/640480394.db2.gz HJNJJNLPXMVRCW-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1nc(CCN2CCO[C@H](C)CC2)cs1 ZINC000932347207 640491541 /nfs/dbraw/zinc/49/15/41/640491541.db2.gz MRRKBCVRWYNXAR-SNVBAGLBSA-N 0 1 240.372 2.105 20 0 BEADMN CC(C)CCN1CC(NC(=O)c2ccccc2)C1 ZINC001030058969 640554294 /nfs/dbraw/zinc/55/42/94/640554294.db2.gz SBNLQSQJNDKGDT-UHFFFAOYSA-N 0 1 246.354 2.147 20 0 BEADMN CCCc1nc(CN[C@H]2COC[C@H]2C)cs1 ZINC000932503480 640560497 /nfs/dbraw/zinc/56/04/97/640560497.db2.gz YKSVEUWOCKKDML-KOLCDFICSA-N 0 1 240.372 2.220 20 0 BEADMN Cc1ncsc1CCN1CCn2cccc2C1 ZINC000932525022 640563234 /nfs/dbraw/zinc/56/32/34/640563234.db2.gz SSDYKAMCSJSCTN-UHFFFAOYSA-N 0 1 247.367 2.311 20 0 BEADMN FC1(F)CC(CN2CCn3cccc3C2)C1 ZINC000932524981 640564141 /nfs/dbraw/zinc/56/41/41/640564141.db2.gz QZBCNAVYCOOXLO-UHFFFAOYSA-N 0 1 226.270 2.349 20 0 BEADMN CC(C)OC1CC(N2CCn3cccc3C2)C1 ZINC000932527157 640566782 /nfs/dbraw/zinc/56/67/82/640566782.db2.gz YKPBBOVUKYYDIR-UHFFFAOYSA-N 0 1 234.343 2.260 20 0 BEADMN CC(C)OCCCN1CCn2cccc2C1 ZINC000932528886 640569499 /nfs/dbraw/zinc/56/94/99/640569499.db2.gz BGRLXYOMUUIMIT-UHFFFAOYSA-N 0 1 222.332 2.119 20 0 BEADMN c1cc2n(c1)CCN([C@H]1C=CCCC1)C2 ZINC000932529445 640569595 /nfs/dbraw/zinc/56/95/95/640569595.db2.gz PKEPQPCSQVHMNK-LBPRGKRZSA-N 0 1 202.301 2.412 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc(F)cc1C ZINC000932561553 640575637 /nfs/dbraw/zinc/57/56/37/640575637.db2.gz BGFMMWJVKIDXEQ-SNVBAGLBSA-N 0 1 209.264 2.374 20 0 BEADMN C[N@@H+](CCC1CC1)CCC(C)(C)C(=O)[O-] ZINC000382355491 711491482 /nfs/dbraw/zinc/49/14/82/711491482.db2.gz HFKNAKRTECUYLC-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN COCCCCN1CCn2nc(C3CC3)cc2C1 ZINC000932604470 640582155 /nfs/dbraw/zinc/58/21/55/640582155.db2.gz WIJUHAFCRHZWPY-UHFFFAOYSA-N 0 1 249.358 2.003 20 0 BEADMN Cc1cnc(CN2CCC(F)(C3CC3)CC2)cn1 ZINC000932629368 640589785 /nfs/dbraw/zinc/58/97/85/640589785.db2.gz AZWMODJYXKDKML-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN CC1(C)CCCN(C(=O)c2coc(CN)c2)C1 ZINC000187434928 640616739 /nfs/dbraw/zinc/61/67/39/640616739.db2.gz NVYDVGNZXPAQAF-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN CC(C)c1csc(CNCc2cnc[nH]2)n1 ZINC000166153123 640618709 /nfs/dbraw/zinc/61/87/09/640618709.db2.gz ANIHAMVJUBFYBQ-UHFFFAOYSA-N 0 1 236.344 2.279 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCSC1)C1CCCC1 ZINC000224694819 640631619 /nfs/dbraw/zinc/63/16/19/640631619.db2.gz FJPFGNBKERMZIG-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CSCCCNC(=O)c1cccc(F)c1O ZINC000933160869 640672356 /nfs/dbraw/zinc/67/23/56/640672356.db2.gz YIUJWRCFEJTCTP-UHFFFAOYSA-N 0 1 243.303 2.014 20 0 BEADMN C(C1CC1)[C@H]1COCCN1C[C@H]1CCCCO1 ZINC000933209741 640679183 /nfs/dbraw/zinc/67/91/83/640679183.db2.gz HBKSKHQGVIPTKF-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN CCSCCN1CCc2c(ncn2CC)C1 ZINC000933258365 640693075 /nfs/dbraw/zinc/69/30/75/640693075.db2.gz KTKFGTYJWYHTPO-UHFFFAOYSA-N 0 1 239.388 2.014 20 0 BEADMN Cc1nc(CNC[C@H](O)CC(C)C)sc1C ZINC000226100733 640731057 /nfs/dbraw/zinc/73/10/57/640731057.db2.gz MFWNANBTECYOIN-LLVKDONJSA-N 0 1 242.388 2.257 20 0 BEADMN O=C(NCCC1CC1)c1cccc(F)c1O ZINC000933685886 640744494 /nfs/dbraw/zinc/74/44/94/640744494.db2.gz SXJJDAGNJVYJBF-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN c1cnc2c(c1)CC[C@H]2NCc1cccnc1 ZINC000226801981 640798292 /nfs/dbraw/zinc/79/82/92/640798292.db2.gz ONOWNUJUCXHSNR-CYBMUJFWSA-N 0 1 225.295 2.254 20 0 BEADMN c1cnc2c(c1)CC[C@@H]2NCc1cccnc1 ZINC000226801975 640798741 /nfs/dbraw/zinc/79/87/41/640798741.db2.gz ONOWNUJUCXHSNR-ZDUSSCGKSA-N 0 1 225.295 2.254 20 0 BEADMN CCOCCN(Cc1ccoc1)C1CC1 ZINC000934002777 640803866 /nfs/dbraw/zinc/80/38/66/640803866.db2.gz BDZKFFCWVNRKOD-UHFFFAOYSA-N 0 1 209.289 2.281 20 0 BEADMN FC(F)OCCN(Cc1ccoc1)C1CC1 ZINC000934005216 640804243 /nfs/dbraw/zinc/80/42/43/640804243.db2.gz WZXBNIBXCFLLNN-UHFFFAOYSA-N 0 1 231.242 2.483 20 0 BEADMN CC(C)COc1cccc(CN2CC[C@@H]2CO)c1 ZINC000934011006 640805545 /nfs/dbraw/zinc/80/55/45/640805545.db2.gz HWAXGIXSGITMAM-CQSZACIVSA-N 0 1 249.354 2.288 20 0 BEADMN CCC[C@H](OC)c1noc(CNCC2CC2)n1 ZINC000227312113 640827150 /nfs/dbraw/zinc/82/71/50/640827150.db2.gz HMFXBDFROPMDOH-JTQLQIEISA-N 0 1 239.319 2.057 20 0 BEADMN Cc1nn(C)cc1CN[C@H](C)c1cncs1 ZINC000229134507 640925194 /nfs/dbraw/zinc/92/51/94/640925194.db2.gz MAUAHCHIYOSYST-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H](NCc1ccncc1)c1cncs1 ZINC000229111455 640925881 /nfs/dbraw/zinc/92/58/81/640925881.db2.gz OSOBTKOPHXJMJD-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN CCCN[C@H](C)c1nc(-c2cscn2)no1 ZINC000087596495 640938679 /nfs/dbraw/zinc/93/86/79/640938679.db2.gz YBCBLBBUIUGKEI-SSDOTTSWSA-N 0 1 238.316 2.254 20 0 BEADMN C[C@@H](Cc1ccco1)NCc1nccs1 ZINC000062103531 641021831 /nfs/dbraw/zinc/02/18/31/641021831.db2.gz VEJBQNMHTCOILP-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN CC(C)n1cc([C@@H](C)NC2CCC2)nn1 ZINC000925376031 641032102 /nfs/dbraw/zinc/03/21/02/641032102.db2.gz IDGSLDPKQGNDHP-SECBINFHSA-N 0 1 208.309 2.062 20 0 BEADMN CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000934103924 641066042 /nfs/dbraw/zinc/06/60/42/641066042.db2.gz GTCKMNLKAHNVJG-NEPJUHHUSA-N 0 1 236.315 2.161 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000934103924 641066047 /nfs/dbraw/zinc/06/60/47/641066047.db2.gz GTCKMNLKAHNVJG-NEPJUHHUSA-N 0 1 236.315 2.161 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(Cl)cn1 ZINC000934105072 641068430 /nfs/dbraw/zinc/06/84/30/641068430.db2.gz BGMYLULKCCAKLB-NWDGAFQWSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1c(C)nsc1C ZINC000934107269 641071935 /nfs/dbraw/zinc/07/19/35/641071935.db2.gz HCJONZQPWHJTOJ-NWDGAFQWSA-N 0 1 240.372 2.369 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1scnc1C ZINC000934111161 641075499 /nfs/dbraw/zinc/07/54/99/641075499.db2.gz LTJDFRSCODOFSD-NXEZZACHSA-N 0 1 226.345 2.061 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cccc(C(C)=O)c1 ZINC000934113258 641077431 /nfs/dbraw/zinc/07/74/31/641077431.db2.gz ZCCDLBQTAQQOOC-CABCVRRESA-N 0 1 247.338 2.498 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CC[C@H]2OC)nc1 ZINC000934112283 641077765 /nfs/dbraw/zinc/07/77/65/641077765.db2.gz SFJABKXSXQXBHZ-UONOGXRCSA-N 0 1 234.343 2.253 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccnc(Cl)c1 ZINC000723032684 711496965 /nfs/dbraw/zinc/49/69/65/711496965.db2.gz VJEPXXDOFHKEKC-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CCCCC1(N[C@@H](C)c2nncn2C)CC1 ZINC000934203002 641101090 /nfs/dbraw/zinc/10/10/90/641101090.db2.gz MOUFTXCGZQDJGG-JTQLQIEISA-N 0 1 222.336 2.189 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C[C@@H](C)CC ZINC000172800959 641115793 /nfs/dbraw/zinc/11/57/93/641115793.db2.gz CGWATDADXUCPOY-WDEREUQCSA-N 0 1 215.337 2.306 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](C)[C@@H]1C ZINC000172861809 641121335 /nfs/dbraw/zinc/12/13/35/641121335.db2.gz OCHZWGARAYIDRA-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN CC1(C)[C@@H]2CN(Cn3cccnc3=S)C[C@@H]21 ZINC000172944118 641133554 /nfs/dbraw/zinc/13/35/54/641133554.db2.gz LLZRXCAVCLYFDQ-AOOOYVTPSA-N 0 1 235.356 2.158 20 0 BEADMN COC(=O)c1ccc2c(c1)OCCN(C(C)C)C2 ZINC000934431100 641143420 /nfs/dbraw/zinc/14/34/20/641143420.db2.gz LTPLVIPWZUTOFV-UHFFFAOYSA-N 0 1 249.310 2.076 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000173289170 641162555 /nfs/dbraw/zinc/16/25/55/641162555.db2.gz MHZXDFSCDAOPMQ-QWHCGFSZSA-N 0 1 238.375 2.324 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCCCC2)C1 ZINC000173288435 641164700 /nfs/dbraw/zinc/16/47/00/641164700.db2.gz GEYGUPJIIGIVCP-LBPRGKRZSA-N 0 1 224.348 2.078 20 0 BEADMN CCO[C@H]1CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000932973166 641169517 /nfs/dbraw/zinc/16/95/17/641169517.db2.gz TZWVYDYQPVVVAX-JQWIXIFHSA-N 0 1 238.306 2.393 20 0 BEADMN CCCCN(C)CN1C[C@H](CCC)CC1=O ZINC000173302440 641170086 /nfs/dbraw/zinc/17/00/86/641170086.db2.gz KWNMAESCNDYEPK-GFCCVEGCSA-N 0 1 226.364 2.324 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000173437508 641177323 /nfs/dbraw/zinc/17/73/23/641177323.db2.gz LGVNDKUSYJDWFO-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000934571138 641199776 /nfs/dbraw/zinc/19/97/76/641199776.db2.gz PDPKOXJCKAAPAZ-IFWUJCSASA-N 0 1 229.339 2.217 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934571137 641200605 /nfs/dbraw/zinc/20/06/05/641200605.db2.gz PDPKOXJCKAAPAZ-FIYWTHMPSA-N 0 1 229.339 2.217 20 0 BEADMN O[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C[C@@H]1F ZINC000934571105 641200745 /nfs/dbraw/zinc/20/07/45/641200745.db2.gz OUJGXPUDFOZEDW-AEGPPILISA-N 0 1 249.329 2.121 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C[C@@H]1F ZINC000934571105 641200755 /nfs/dbraw/zinc/20/07/55/641200755.db2.gz OUJGXPUDFOZEDW-AEGPPILISA-N 0 1 249.329 2.121 20 0 BEADMN Cc1ccccc1[C@H](C)N1CC[C@@H](O)[C@@H](F)C1 ZINC000934573446 641203305 /nfs/dbraw/zinc/20/33/05/641203305.db2.gz BWZMLIOGKPNROU-FPMFFAJLSA-N 0 1 237.318 2.461 20 0 BEADMN C[C@H](CN1CC[C@@H](O)[C@H](F)C1)c1ccccc1 ZINC000934572710 641204180 /nfs/dbraw/zinc/20/41/80/641204180.db2.gz BOUWXZMRCRBSEV-MRVWCRGKSA-N 0 1 237.318 2.195 20 0 BEADMN Cc1cccc(C)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC000934573363 641205956 /nfs/dbraw/zinc/20/59/56/641205956.db2.gz FERLRYMUVJPWHH-ZIAGYGMSSA-N 0 1 237.318 2.208 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NCc1nnc(C2CC2)o1 ZINC000934627614 641221768 /nfs/dbraw/zinc/22/17/68/641221768.db2.gz SVGSMXQEEYAICP-MWLCHTKSSA-N 0 1 233.315 2.391 20 0 BEADMN CC(C)C[C@@H]1CCN(CN2CCSC2=O)C1 ZINC000174081844 641236700 /nfs/dbraw/zinc/23/67/00/641236700.db2.gz MLICLGQAKRHNRE-NSHDSACASA-N 0 1 242.388 2.481 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000934752763 641258965 /nfs/dbraw/zinc/25/89/65/641258965.db2.gz BJZANCZAWSBCKU-CYBMUJFWSA-N 0 1 248.326 2.204 20 0 BEADMN c1cn(C2CC2)c(NCc2cscn2)n1 ZINC000232554642 641300312 /nfs/dbraw/zinc/30/03/12/641300312.db2.gz YCMHGEITPUXWJL-UHFFFAOYSA-N 0 1 220.301 2.287 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000934925132 641302950 /nfs/dbraw/zinc/30/29/50/641302950.db2.gz PJWGRTPCAGJZTA-IINYFYTJSA-N 0 1 247.342 2.122 20 0 BEADMN CC1=CCN(C(=O)c2cccc(F)c2O)CC1 ZINC000935083393 641332808 /nfs/dbraw/zinc/33/28/08/641332808.db2.gz KAAIBAQRPFNSKY-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CCC2(C)CC2)CCN1C ZINC000935214540 641366038 /nfs/dbraw/zinc/36/60/38/641366038.db2.gz RKVYENPJYKGVPJ-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(C)nc(CN(C)CCn2cccn2)c1 ZINC000929620428 641376543 /nfs/dbraw/zinc/37/65/43/641376543.db2.gz AEKRPLLIWVFGBB-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2(C)CC=CC2)c1 ZINC000935346559 641393081 /nfs/dbraw/zinc/39/30/81/641393081.db2.gz YWRVGXPQZKEYHI-UHFFFAOYSA-N 0 1 245.326 2.442 20 0 BEADMN C[C@H]1CSCCN1CCc1ccns1 ZINC000929688622 641398623 /nfs/dbraw/zinc/39/86/23/641398623.db2.gz MMISPOHLFQTSDA-VIFPVBQESA-N 0 1 228.386 2.123 20 0 BEADMN C[C@@H]1CSCCN1CCc1ccns1 ZINC000929688620 641398996 /nfs/dbraw/zinc/39/89/96/641398996.db2.gz MMISPOHLFQTSDA-SECBINFHSA-N 0 1 228.386 2.123 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@@H](CO)C2)c1F ZINC000929695047 641400745 /nfs/dbraw/zinc/40/07/45/641400745.db2.gz FFQFAAAHGDZOMZ-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN C[C@H](O)CN(C)Cc1cnc(-c2ccccc2)o1 ZINC000929705322 641408238 /nfs/dbraw/zinc/40/82/38/641408238.db2.gz FMIWAKLLMFNVAW-NSHDSACASA-N 0 1 246.310 2.154 20 0 BEADMN C[C@@H](O)CN(C)Cc1cnc(-c2ccccc2)o1 ZINC000929705321 641408861 /nfs/dbraw/zinc/40/88/61/641408861.db2.gz FMIWAKLLMFNVAW-LLVKDONJSA-N 0 1 246.310 2.154 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H]1CC1(C)C ZINC000925393755 641423570 /nfs/dbraw/zinc/42/35/70/641423570.db2.gz RJXVRFSVTBPGKV-IONNQARKSA-N 0 1 209.293 2.075 20 0 BEADMN CC1CCC(=CC(=O)NC23CCN(CC2)C3)CC1 ZINC000913629856 641434998 /nfs/dbraw/zinc/43/49/98/641434998.db2.gz PKDAROTZSHEXOA-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN CCC[C@](C)(CC)C(=O)NC12CCN(CC1)C2 ZINC000913634058 641435555 /nfs/dbraw/zinc/43/55/55/641435555.db2.gz ZPOXAVSZRWJPOJ-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)c1ccccc1C(=O)Nc1c[nH]nn1 ZINC000935595424 641436591 /nfs/dbraw/zinc/43/65/91/641436591.db2.gz GCROBDCAOJCULD-UHFFFAOYSA-N 0 1 230.271 2.180 20 0 BEADMN CC(C)(C(=O)Nc1c[nH]nn1)C1CCCCC1 ZINC000935596699 641441169 /nfs/dbraw/zinc/44/11/69/641441169.db2.gz QLXVZUHATQXKPJ-UHFFFAOYSA-N 0 1 236.319 2.350 20 0 BEADMN CC(C)Cc1ccc(C(=O)Nc2c[nH]nn2)cc1 ZINC000935598719 641442592 /nfs/dbraw/zinc/44/25/92/641442592.db2.gz UNPTYPGMQOEVCK-UHFFFAOYSA-N 0 1 244.298 2.256 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@H](F)CC1CCCCC1 ZINC000935597402 641442694 /nfs/dbraw/zinc/44/26/94/641442694.db2.gz KMMMQVHBCHYSOR-SECBINFHSA-N 0 1 240.282 2.052 20 0 BEADMN Nc1ccncc1-c1nc(C2CC2)cs1 ZINC000935619681 641448031 /nfs/dbraw/zinc/44/80/31/641448031.db2.gz YIPOECJLSSTULK-UHFFFAOYSA-N 0 1 217.297 2.495 20 0 BEADMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1O ZINC000935701713 641463618 /nfs/dbraw/zinc/46/36/18/641463618.db2.gz GVXWBOJBSJHAEB-VROVMSAKSA-N 0 1 235.258 2.060 20 0 BEADMN C/C=C\C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000211363934 641478395 /nfs/dbraw/zinc/47/83/95/641478395.db2.gz KQBORUPJQKSYIG-DBGMKRSLSA-N 0 1 248.326 2.109 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000043585420 641568914 /nfs/dbraw/zinc/56/89/14/641568914.db2.gz LLPLVLYYCVYBPR-GCEAOBNSSA-N 0 1 231.723 2.316 20 0 BEADMN Cc1ccc2nc(CN3CC[C@@H]4C[C@@H]43)cn2c1 ZINC000761096972 641595988 /nfs/dbraw/zinc/59/59/88/641595988.db2.gz SZMNLCTVZOEJQT-YPMHNXCESA-N 0 1 227.311 2.237 20 0 BEADMN CN(CC(=O)NC1CCCCCCC1)C1CC1 ZINC000046601547 641625540 /nfs/dbraw/zinc/62/55/40/641625540.db2.gz ZAQPZUWSTPXXLX-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1CCC(C)(C)C(=O)[O-] ZINC000158347923 641631449 /nfs/dbraw/zinc/63/14/49/641631449.db2.gz YZUIBAPCQHPURX-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nc(CNCCOC(C)C)sc1C ZINC000159013945 641662141 /nfs/dbraw/zinc/66/21/41/641662141.db2.gz IMURXZLWLISURH-UHFFFAOYSA-N 0 1 228.361 2.275 20 0 BEADMN CCCCOC(=O)CN(C)[C@@H](C)C(C)C ZINC000047867234 641666030 /nfs/dbraw/zinc/66/60/30/641666030.db2.gz VCGXRHCZOBKRDG-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CON(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000032314323 641806773 /nfs/dbraw/zinc/80/67/73/641806773.db2.gz ZIWBTXHXJKPOAW-UHFFFAOYSA-N 0 1 245.282 2.019 20 0 BEADMN CCN(C)C(=O)CN1Cc2ccccc2[C@@H](C)C1 ZINC000915215831 641810421 /nfs/dbraw/zinc/81/04/21/641810421.db2.gz MQXXIIATELKYCN-LBPRGKRZSA-N 0 1 246.354 2.084 20 0 BEADMN CC(C)(C)C(=O)NC1CN(CC2CCCC2)C1 ZINC001031292721 641874435 /nfs/dbraw/zinc/87/44/35/641874435.db2.gz ZUVFGUDDWAMZLE-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Oc1ccc(Cl)c(F)c1CN1CCOCC1 ZINC000191146511 641901533 /nfs/dbraw/zinc/90/15/33/641901533.db2.gz ALEFPWYCZJSGGJ-UHFFFAOYSA-N 0 1 245.681 2.017 20 0 BEADMN CCCCCCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154008225 641939557 /nfs/dbraw/zinc/93/95/57/641939557.db2.gz RWSIRUXKYAFQNQ-TXEJJXNPSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1nc(S[C@@H](C)c2ncccn2)n[nH]1 ZINC000916515276 641941276 /nfs/dbraw/zinc/94/12/76/641941276.db2.gz HZDGAAOVEKGCBU-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)c2ncccn2)n1 ZINC000916515276 641941278 /nfs/dbraw/zinc/94/12/78/641941278.db2.gz HZDGAAOVEKGCBU-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN Cc1c[nH]nc1CSc1nc(C2CC2)n[nH]1 ZINC000916539072 641943134 /nfs/dbraw/zinc/94/31/34/641943134.db2.gz ZXBSZHOFZBZBFU-UHFFFAOYSA-N 0 1 235.316 2.006 20 0 BEADMN Cn1nccc1[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000916740348 641973927 /nfs/dbraw/zinc/97/39/27/641973927.db2.gz UIRBWICGNZSSLV-ZXCPCRMDSA-N 0 1 239.750 2.352 20 0 BEADMN Cn1nccc1[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000916740348 641973930 /nfs/dbraw/zinc/97/39/30/641973930.db2.gz UIRBWICGNZSSLV-ZXCPCRMDSA-N 0 1 239.750 2.352 20 0 BEADMN COc1cccc(CSc2cn[nH]n2)c1C ZINC000917173975 642026739 /nfs/dbraw/zinc/02/67/39/642026739.db2.gz QYVQIDGGGTVHMQ-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN c1n[nH]nc1SCC[C@@H]1C[C@H]1C1CC1 ZINC000917173030 642027286 /nfs/dbraw/zinc/02/72/86/642027286.db2.gz CACJOCRTVFQBGT-BDAKNGLRSA-N 0 1 209.318 2.333 20 0 BEADMN CCC[C@@H](CC)Sc1c(C)[nH][nH]c1=O ZINC000917611245 642098518 /nfs/dbraw/zinc/09/85/18/642098518.db2.gz IKQIHNGWFUNNJJ-BDAKNGLRSA-N 0 1 214.334 2.173 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@H](C)c1ccccc1 ZINC000917598525 642093089 /nfs/dbraw/zinc/09/30/89/642093089.db2.gz OYAUFKXCVVWIBL-JOYOIKCWSA-N 0 1 248.351 2.398 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@@H](C)c1ccccc1 ZINC000917598526 642093620 /nfs/dbraw/zinc/09/36/20/642093620.db2.gz OYAUFKXCVVWIBL-SKDRFNHKSA-N 0 1 248.351 2.398 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@@H](C)c1ccccc1 ZINC000917598523 642094023 /nfs/dbraw/zinc/09/40/23/642094023.db2.gz OYAUFKXCVVWIBL-BXKDBHETSA-N 0 1 248.351 2.398 20 0 BEADMN CCONC(=O)Cc1cc2ccccc2o1 ZINC000918759294 642262530 /nfs/dbraw/zinc/26/25/30/642262530.db2.gz SJWOKDCVUZLBLT-UHFFFAOYSA-N 0 1 219.240 2.043 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000177891252 642314044 /nfs/dbraw/zinc/31/40/44/642314044.db2.gz GEYOYMPZHLMUIH-DCAQKATOSA-N 0 1 213.321 2.058 20 0 BEADMN CCc1onc(C)c1CN1CCOC[C@@H](C)C1 ZINC000930087129 642366498 /nfs/dbraw/zinc/36/64/98/642366498.db2.gz SFDRFKIFHPJORZ-JTQLQIEISA-N 0 1 238.331 2.014 20 0 BEADMN CSC[C@@H](C)NC(=O)c1cccc(F)c1O ZINC000933182087 642374086 /nfs/dbraw/zinc/37/40/86/642374086.db2.gz SSUZCASSNIXYOG-SSDOTTSWSA-N 0 1 243.303 2.013 20 0 BEADMN CSC[C@H](C)NC(=O)c1cccc(F)c1O ZINC000933182092 642374855 /nfs/dbraw/zinc/37/48/55/642374855.db2.gz SSUZCASSNIXYOG-ZETCQYMHSA-N 0 1 243.303 2.013 20 0 BEADMN Cc1ccc2oc(=O)n(CN(C)CC3CC3)c2c1 ZINC000919942695 642409937 /nfs/dbraw/zinc/40/99/37/642409937.db2.gz XSPUSIHKBVACEN-UHFFFAOYSA-N 0 1 246.310 2.202 20 0 BEADMN CCn1cnc2c1CCN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000933253900 642419844 /nfs/dbraw/zinc/41/98/44/642419844.db2.gz WGKCSZSWCKXVBO-CLLJXQQHSA-N 0 1 245.370 2.307 20 0 BEADMN CCn1cnc2c1CCN(CC1=CCCC1)C2 ZINC000933254190 642424197 /nfs/dbraw/zinc/42/41/97/642424197.db2.gz YLBNUXSIAPTTFS-UHFFFAOYSA-N 0 1 231.343 2.371 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(CCC)CC1 ZINC000920215350 642455102 /nfs/dbraw/zinc/45/51/02/642455102.db2.gz ROVRQLOLXLUQHN-SEYXRHQNSA-N 0 1 238.375 2.287 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C(C)C)CC1 ZINC000920218371 642456438 /nfs/dbraw/zinc/45/64/38/642456438.db2.gz FOBZZMAPPRJMQI-QBFSEMIESA-N 0 1 238.375 2.285 20 0 BEADMN C[C@H](n1[nH]c2c(c1=O)CCC2)C(C)(C)C ZINC000400357109 642482832 /nfs/dbraw/zinc/48/28/32/642482832.db2.gz WEZKZXTYUFSCFL-IUCAKERBSA-N 0 1 208.305 2.419 20 0 BEADMN CC(C)[C@@H](C)N(C)Cn1cc(Cl)cn1 ZINC000921188079 642582561 /nfs/dbraw/zinc/58/25/61/642582561.db2.gz XKBUTFLANSJMQL-SECBINFHSA-N 0 1 215.728 2.470 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1C ZINC000921375441 642606035 /nfs/dbraw/zinc/60/60/35/642606035.db2.gz UCVLJQOWXVOLID-SDDRHHMPSA-N 0 1 247.342 2.335 20 0 BEADMN Cc1cnc(Cl)c(CNC[C@H]2CCCO2)c1 ZINC000921476855 642634386 /nfs/dbraw/zinc/63/43/86/642634386.db2.gz PMIUEYAHXPVUKY-LLVKDONJSA-N 0 1 240.734 2.312 20 0 BEADMN CCc1[nH]nc(Cl)c1CNCCSC ZINC000921481757 642634673 /nfs/dbraw/zinc/63/46/73/642634673.db2.gz SGSJBVWWZNGZCG-UHFFFAOYSA-N 0 1 233.768 2.078 20 0 BEADMN CCCC[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000232971491 642636718 /nfs/dbraw/zinc/63/67/18/642636718.db2.gz FYGPVHSNEINOGS-UHFFFAOYSA-N 0 1 222.288 2.012 20 0 BEADMN CCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000305076453 642636857 /nfs/dbraw/zinc/63/68/57/642636857.db2.gz OBGOUXAZJKNOFG-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)[C@@H](C(=O)OCCF)N1CCCCC1 ZINC000175467286 642685933 /nfs/dbraw/zinc/68/59/33/642685933.db2.gz NSOQXPCIGAWVEL-NSHDSACASA-N 0 1 231.311 2.010 20 0 BEADMN Cc1cccc(-n2cc(CNC(C)C)nn2)c1F ZINC000305932533 642713852 /nfs/dbraw/zinc/71/38/52/642713852.db2.gz CLXBZPXHXZPPIJ-UHFFFAOYSA-N 0 1 248.305 2.213 20 0 BEADMN CC(C)[C@@H](N)c1noc(C(C)(Cl)Cl)n1 ZINC000306364868 642740678 /nfs/dbraw/zinc/74/06/78/642740678.db2.gz FKJMFFACDOOXID-RXMQYKEDSA-N 0 1 238.118 2.376 20 0 BEADMN COCCNC1(c2ccccc2F)CC1 ZINC000179646716 642732245 /nfs/dbraw/zinc/73/22/45/642732245.db2.gz DLXNQBRXQOUXIR-UHFFFAOYSA-N 0 1 209.264 2.051 20 0 BEADMN CC[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000068721842 642797960 /nfs/dbraw/zinc/79/79/60/642797960.db2.gz IUPPUSGFRHSFCE-DTWKUNHWSA-N 0 1 238.312 2.053 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1(C)CCCCC1 ZINC000616928185 642808725 /nfs/dbraw/zinc/80/87/25/642808725.db2.gz ZLGYIMGMNYVCFS-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN CC(=O)NC[C@@H]1CCCCCN1C/C=C\Cl ZINC000968723299 642817995 /nfs/dbraw/zinc/81/79/95/642817995.db2.gz WQTXFYXHQUVNGB-HWPRWLFBSA-N 0 1 244.766 2.120 20 0 BEADMN CCCn1cc(N[C@@H](C)c2cn[nH]c2C)cn1 ZINC000181127772 642841631 /nfs/dbraw/zinc/84/16/31/642841631.db2.gz VHNYYDRSULIDGO-VIFPVBQESA-N 0 1 233.319 2.498 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1cccs1 ZINC000069795241 642908500 /nfs/dbraw/zinc/90/85/00/642908500.db2.gz QCESEIBUQYNWPC-QMMMGPOBSA-N 0 1 237.328 2.160 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccoc2)no1 ZINC000069946081 642942221 /nfs/dbraw/zinc/94/22/21/642942221.db2.gz DCEARNYFDPGMGG-MRVPVSSYSA-N 0 1 207.233 2.000 20 0 BEADMN CC(C)COC(=O)c1cccc2[nH]ncc21 ZINC000070034627 642956989 /nfs/dbraw/zinc/95/69/89/642956989.db2.gz BXMPRGKFEQSKKQ-UHFFFAOYSA-N 0 1 218.256 2.376 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001017348186 642975264 /nfs/dbraw/zinc/97/52/64/642975264.db2.gz WKICEGOHTUHOIF-MCIONIFRSA-N 0 1 248.370 2.038 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1ccc(F)cc1 ZINC000070261845 643008527 /nfs/dbraw/zinc/00/85/27/643008527.db2.gz XKKVQRUXEREZAF-SECBINFHSA-N 0 1 249.289 2.238 20 0 BEADMN C[C@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000070565419 643037543 /nfs/dbraw/zinc/03/75/43/643037543.db2.gz GARLFEGHAIYADT-GARJFASQSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)[O-] ZINC000090273458 643103793 /nfs/dbraw/zinc/10/37/93/643103793.db2.gz GTGYINBSXQECQJ-LLVKDONJSA-N 0 1 248.326 2.480 20 0 BEADMN Cc1cccc(CN2CCO[C@H](C)CC2)n1 ZINC000932343804 643152791 /nfs/dbraw/zinc/15/27/91/643152791.db2.gz SWIIZUCPAHWZOQ-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CCCN(CCC)Cn1ccc(C)c(C#N)c1=O ZINC000184681018 643228005 /nfs/dbraw/zinc/22/80/05/643228005.db2.gz NUVWRBOVXGZMOT-UHFFFAOYSA-N 0 1 247.342 2.108 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cnc[nH]2)o1 ZINC000112341597 643332133 /nfs/dbraw/zinc/33/21/33/643332133.db2.gz IPFZWJANYPHAGT-BXKDBHETSA-N 0 1 231.299 2.416 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000082644589 643359519 /nfs/dbraw/zinc/35/95/19/643359519.db2.gz HIMMRZIPVNVJTI-LLVKDONJSA-N 0 1 238.356 2.253 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000082725433 643371083 /nfs/dbraw/zinc/37/10/83/643371083.db2.gz WZJUMRQRRGAFIJ-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H]1CC([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000082832918 643384669 /nfs/dbraw/zinc/38/46/69/643384669.db2.gz FOTDGMYHQFCNKO-JBLDHEPKSA-N 0 1 225.332 2.360 20 0 BEADMN CCc1nc(CNc2nc(Cl)cs2)n[nH]1 ZINC000307012467 643397624 /nfs/dbraw/zinc/39/76/24/643397624.db2.gz PZPIBFNJQOZEHO-UHFFFAOYSA-N 0 1 243.723 2.089 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCCCN3)n2)o1 ZINC000083101114 643412191 /nfs/dbraw/zinc/41/21/91/643412191.db2.gz FVDJUNDFTFTVLN-SECBINFHSA-N 0 1 233.271 2.453 20 0 BEADMN CCCN1CCC(C(=O)C(F)(F)F)CC1 ZINC000186057046 643433869 /nfs/dbraw/zinc/43/38/69/643433869.db2.gz SWPQDORNBBJNMD-UHFFFAOYSA-N 0 1 223.238 2.240 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000049842181 643474706 /nfs/dbraw/zinc/47/47/06/643474706.db2.gz YLAWTFJEIHBEFD-GFCCVEGCSA-N 0 1 248.326 2.158 20 0 BEADMN CCCS(=O)(=O)CCN1CCCCC[C@@H]1C ZINC000734057918 643488365 /nfs/dbraw/zinc/48/83/65/643488365.db2.gz DTDOKAYFRSYBGL-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CC1(C)CN(C[C@@H](O)C2CC2)[C@@H]1c1cccnc1 ZINC000840766292 643500566 /nfs/dbraw/zinc/50/05/66/643500566.db2.gz LRIIQNIAMNLXRT-ZIAGYGMSSA-N 0 1 246.354 2.235 20 0 BEADMN O=C([O-])C[N@@H+](CCc1cccs1)CC1CC1 ZINC000082602634 643516238 /nfs/dbraw/zinc/51/62/38/643516238.db2.gz KLZMXCUWQJTZCD-UHFFFAOYSA-N 0 1 239.340 2.087 20 0 BEADMN Clc1ncccc1CNC[C@@H]1CCCO1 ZINC000083355048 643530774 /nfs/dbraw/zinc/53/07/74/643530774.db2.gz SMGUSNWBVVDBCT-JTQLQIEISA-N 0 1 226.707 2.004 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000084049862 643548736 /nfs/dbraw/zinc/54/87/36/643548736.db2.gz RBYPVCABFLTLMR-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc2ncc(CN3C[C@H](C)[C@@H]3C)n2c1 ZINC000816648455 643556243 /nfs/dbraw/zinc/55/62/43/643556243.db2.gz KZFVPGCNZFABID-RYUDHWBXSA-N 0 1 229.327 2.483 20 0 BEADMN CC(C)CC[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638557 643600922 /nfs/dbraw/zinc/60/09/22/643600922.db2.gz LQFAUCORFFKAMP-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H]1C ZINC000050126717 643605525 /nfs/dbraw/zinc/60/55/25/643605525.db2.gz CNEVWLNEZSKXLC-JTQLQIEISA-N 0 1 249.310 2.378 20 0 BEADMN CCC(CC)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612159 643621968 /nfs/dbraw/zinc/62/19/68/643621968.db2.gz QWAALTSXGKNWPD-NSHDSACASA-N 0 1 245.388 2.315 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000084002290 643640052 /nfs/dbraw/zinc/64/00/52/643640052.db2.gz ZIKKWMYFWQGCQT-BRNRAETOSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1nc(CNCc2cc[nH]c(=O)c2)sc1C ZINC000921807893 643799583 /nfs/dbraw/zinc/79/95/83/643799583.db2.gz VCEVGOULZZBXPC-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN Cc1cc(NC(=O)C2(N(C)C)CCC2)cnc1C ZINC000921873248 643813368 /nfs/dbraw/zinc/81/33/68/643813368.db2.gz QQFSLSSDIRFIEB-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@H](NCc1c2c(nn1C)CCC2)c1ccc[nH]1 ZINC000921938834 643830925 /nfs/dbraw/zinc/83/09/25/643830925.db2.gz KBGISIDEGCARBL-JTQLQIEISA-N 0 1 244.342 2.088 20 0 BEADMN CCc1[nH]nc(Cl)c1CNCCOC(C)C ZINC000921992913 643840220 /nfs/dbraw/zinc/84/02/20/643840220.db2.gz CAUKBKJZDNPYIL-UHFFFAOYSA-N 0 1 245.754 2.140 20 0 BEADMN C/C=C(/C=C/C(=O)NC[C@H]1CCN1CC)CC ZINC000922158154 643877967 /nfs/dbraw/zinc/87/79/67/643877967.db2.gz FEJRQBXJZJFDNG-PNNZWYFMSA-N 0 1 236.359 2.109 20 0 BEADMN Cc1cc(C)nc(CN2CCSCC2)c1 ZINC000929275370 643893555 /nfs/dbraw/zinc/89/35/55/643893555.db2.gz ACVHPIQDQKLYEQ-UHFFFAOYSA-N 0 1 222.357 2.247 20 0 BEADMN CC(C)(F)CNCc1ccnn1C1CCC1 ZINC000922300591 643960621 /nfs/dbraw/zinc/96/06/21/643960621.db2.gz ONTFCDGIKFNXFX-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN CC(C)(F)CNCc1cccc2[nH]c(=O)oc21 ZINC000922300935 643961194 /nfs/dbraw/zinc/96/11/94/643961194.db2.gz WPQWSRJPHOSMSI-UHFFFAOYSA-N 0 1 238.262 2.371 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(CC)cn1 ZINC000922483652 644002163 /nfs/dbraw/zinc/00/21/63/644002163.db2.gz ZLXMFNWAPUZPHA-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ncc(Cl)n1C ZINC000922511669 644009263 /nfs/dbraw/zinc/00/92/63/644009263.db2.gz XQFLFGLIBOQMNX-DOLQZWNJSA-N 0 1 239.750 2.208 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cnn(CCF)c1 ZINC000922644612 644049648 /nfs/dbraw/zinc/04/96/48/644049648.db2.gz JSINTFLPXVZHHC-ARJAWSKDSA-N 0 1 245.729 2.473 20 0 BEADMN Cn1cncc1CNC(C)(C)/C=C/Cl ZINC000922648231 644053137 /nfs/dbraw/zinc/05/31/37/644053137.db2.gz FPRBUPKLJWTVBS-SNAWJCMRSA-N 0 1 213.712 2.041 20 0 BEADMN Cc1nc(CNC[C@]2(C)CCCCO2)[nH]c1C ZINC000922816877 644107368 /nfs/dbraw/zinc/10/73/68/644107368.db2.gz QXIPJVYLSIWNCN-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CCC[C@@H](O)CCNCc1ncc(CC)s1 ZINC000922817828 644107678 /nfs/dbraw/zinc/10/76/78/644107678.db2.gz ASEXNVNWZBOMJR-SNVBAGLBSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cnc(CN[C@@H]2CCS[C@@H](C)C2)o1 ZINC000922834613 644111925 /nfs/dbraw/zinc/11/19/25/644111925.db2.gz VTFHYDILLVCPDL-VHSXEESVSA-N 0 1 226.345 2.357 20 0 BEADMN Cc1cc(CN[C@@H]2CCS[C@H](C)C2)no1 ZINC000922837207 644114927 /nfs/dbraw/zinc/11/49/27/644114927.db2.gz GAIQYRUEPRCANL-NXEZZACHSA-N 0 1 226.345 2.357 20 0 BEADMN Cc1cc(CNCc2cncc(O)c2)cs1 ZINC000922975932 644205927 /nfs/dbraw/zinc/20/59/27/644205927.db2.gz ONDWWEHLSZEZOS-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN Cc1nc(C)c(CNCc2cncc(O)c2)s1 ZINC000922975513 644206803 /nfs/dbraw/zinc/20/68/03/644206803.db2.gz HEUQSYLDFMYNPP-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN Fc1cnccc1CN[C@]12C[C@H]1COC21CCC1 ZINC000923031402 644239356 /nfs/dbraw/zinc/23/93/56/644239356.db2.gz NZOSYNTZVPMEKD-SMDDNHRTSA-N 0 1 248.301 2.022 20 0 BEADMN CN(CCCCc1ccccc1)[C@@H]1CCOC1=O ZINC000193438681 644242509 /nfs/dbraw/zinc/24/25/09/644242509.db2.gz YGCMJEMCYXIUBS-CQSZACIVSA-N 0 1 247.338 2.257 20 0 BEADMN CCCCCC[C@@H](O)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000923255276 644304100 /nfs/dbraw/zinc/30/41/00/644304100.db2.gz CJNHLWIIICNAQN-VXGBXAGGSA-N 0 1 245.363 2.113 20 0 BEADMN CCC1CCN(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC000083107181 644400782 /nfs/dbraw/zinc/40/07/82/644400782.db2.gz FNSRSDZXCFUXSC-OLZOCXBDSA-N 0 1 236.359 2.077 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)s1 ZINC000083406054 644404388 /nfs/dbraw/zinc/40/43/88/644404388.db2.gz PECVBARYMTZLHH-UHFFFAOYSA-N 0 1 225.313 2.106 20 0 BEADMN C[C@@H](N)c1nc(-c2nc(C3CC3)no2)cs1 ZINC000085546943 644444183 /nfs/dbraw/zinc/44/41/83/644444183.db2.gz SXYXJROMMODJFH-RXMQYKEDSA-N 0 1 236.300 2.090 20 0 BEADMN CCNCc1nc(-c2cscc2C)no1 ZINC000087287785 644486698 /nfs/dbraw/zinc/48/66/98/644486698.db2.gz FOBWXOSIURMZBD-UHFFFAOYSA-N 0 1 223.301 2.216 20 0 BEADMN Cc1nc(CNC[C@@H]2CCCCO2)sc1C ZINC000087375785 644493210 /nfs/dbraw/zinc/49/32/10/644493210.db2.gz LIIBJOCYHNGYNH-NSHDSACASA-N 0 1 240.372 2.419 20 0 BEADMN CCN1CCOC[C@@H]1C[C@H]1CNc2ccccc21 ZINC000923548034 644494847 /nfs/dbraw/zinc/49/48/47/644494847.db2.gz LPSQALIYAKLYAW-STQMWFEESA-N 0 1 246.354 2.307 20 0 BEADMN CC(C)n1ncnc1CN[C@H](C)Cc1ccco1 ZINC000088589915 644523951 /nfs/dbraw/zinc/52/39/51/644523951.db2.gz UYTOUGFVKADYKO-LLVKDONJSA-N 0 1 248.330 2.173 20 0 BEADMN C=CCCC[C@@H](C)N(C)CCS(=O)(=O)CC ZINC000089267413 644539507 /nfs/dbraw/zinc/53/95/07/644539507.db2.gz OYISCUUHJXCSKS-GFCCVEGCSA-N 0 1 247.404 2.098 20 0 BEADMN CCCCCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000246817034 644606567 /nfs/dbraw/zinc/60/65/67/644606567.db2.gz BBBLWNNXYMMVOR-RYUDHWBXSA-N 0 1 249.420 2.320 20 0 BEADMN CC[C@@]1(C)CCCN(CN2C[C@@H](C)CC2=O)C1 ZINC000247473564 644642116 /nfs/dbraw/zinc/64/21/16/644642116.db2.gz SRFFDJOJTMCTCU-JSGCOSHPSA-N 0 1 238.375 2.324 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000092429306 644656624 /nfs/dbraw/zinc/65/66/24/644656624.db2.gz UPPIZBLJGAKVAH-ZDUSSCGKSA-N 0 1 232.327 2.191 20 0 BEADMN Cc1ccc(CN(C)CCC(=O)C2CC2)o1 ZINC000767363780 644675454 /nfs/dbraw/zinc/67/54/54/644675454.db2.gz XLFVEGZJCCKCST-UHFFFAOYSA-N 0 1 221.300 2.389 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525615 644719079 /nfs/dbraw/zinc/71/90/79/644719079.db2.gz QFARXBSXHUYBRZ-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000780008792 644722800 /nfs/dbraw/zinc/72/28/00/644722800.db2.gz VYQLCBXQVRMDAK-LKUCSHHGSA-N 0 1 238.375 2.284 20 0 BEADMN CCOC(=O)/C=C/CN(C)Cc1ccccc1 ZINC000095015428 644736784 /nfs/dbraw/zinc/73/67/84/644736784.db2.gz AJUGCUNEFJXUJM-JXMROGBWSA-N 0 1 233.311 2.238 20 0 BEADMN Cc1cccc(C)c1CN(C)[C@@H]1CCCNC1=O ZINC000782654638 644746322 /nfs/dbraw/zinc/74/63/22/644746322.db2.gz WBTLBPSVZCGZRB-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1nc(F)ccc1CNCc1cccnc1 ZINC000785410150 644769765 /nfs/dbraw/zinc/76/97/65/644769765.db2.gz AXABQEOSJWKJBF-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CC[C@H](C)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251837433 644825101 /nfs/dbraw/zinc/82/51/01/644825101.db2.gz KZFONDMPNHRFAD-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)N(Cc1cccnc1Cl)C[C@@H](C)O ZINC000303991377 644863404 /nfs/dbraw/zinc/86/34/04/644863404.db2.gz LTDURQYKNWUCGV-SNVBAGLBSA-N 0 1 242.750 2.326 20 0 BEADMN CCCCN(C)CN1C[C@@](C)(CC)CC1=O ZINC000808136947 644873622 /nfs/dbraw/zinc/87/36/22/644873622.db2.gz LTSVLEPSIHTOFJ-ZDUSSCGKSA-N 0 1 226.364 2.324 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CCC(C)(F)F)n[nH]1 ZINC000840210379 644903219 /nfs/dbraw/zinc/90/32/19/644903219.db2.gz YXMKFYGUNLXFKV-LURJTMIESA-N 0 1 247.245 2.153 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000253067574 644935238 /nfs/dbraw/zinc/93/52/38/644935238.db2.gz KCNNLPJGYMFDGF-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C2CC2)C[C@@H](CC)O1 ZINC000817280551 644968868 /nfs/dbraw/zinc/96/88/68/644968868.db2.gz IVLOAPFULJYMPS-CHWSQXEVSA-N 0 1 239.359 2.245 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)C[C@H](CC)O1 ZINC000817280782 644969533 /nfs/dbraw/zinc/96/95/33/644969533.db2.gz LULQSTPXAQCYDS-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN O=C(CCc1cnc[nH]1)NCCCCC1CC1 ZINC000825669889 645062771 /nfs/dbraw/zinc/06/27/71/645062771.db2.gz JKMQKTFGKQYZGF-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CC(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)=C1CCC1 ZINC000827276954 645076909 /nfs/dbraw/zinc/07/69/09/645076909.db2.gz UVNYVCVBBRJKGT-SECBINFHSA-N 0 1 247.342 2.266 20 0 BEADMN Cc1cc(CNCCCc2ccco2)no1 ZINC000827673872 645084276 /nfs/dbraw/zinc/08/42/76/645084276.db2.gz HVIASXQTMNQPJO-UHFFFAOYSA-N 0 1 220.272 2.298 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837009089 645185271 /nfs/dbraw/zinc/18/52/71/645185271.db2.gz VXNYEQSHNSINAI-OTAKNEKHSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cccc(CON=C(N)C(C)C)n1 ZINC000842039750 645236472 /nfs/dbraw/zinc/23/64/72/645236472.db2.gz OHKCEMSDCUMCRT-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN Cc1ccncc1CON=C(N)C(C)C ZINC000842039204 645236804 /nfs/dbraw/zinc/23/68/04/645236804.db2.gz LHRIRKNUILUGIX-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN COC1(CCON=C(N)C(C)C)CCC1 ZINC000842040757 645237581 /nfs/dbraw/zinc/23/75/81/645237581.db2.gz ZQYUIUNVXVKWCK-UHFFFAOYSA-N 0 1 214.309 2.100 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1cc(CO)on1 ZINC000926532659 645258461 /nfs/dbraw/zinc/25/84/61/645258461.db2.gz BXKRVLBJKIUXTP-NHCYSSNCSA-N 0 1 238.331 2.110 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2cc(C3CC3)no2)n1 ZINC000843155499 645268461 /nfs/dbraw/zinc/26/84/61/645268461.db2.gz UVQRRIQKDTXJBQ-JTQLQIEISA-N 0 1 248.286 2.258 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1C[C@H]1C1CC1 ZINC000926549399 645271850 /nfs/dbraw/zinc/27/18/50/645271850.db2.gz HMRVDSOLOHUQNO-GGVZMXCHSA-N 0 1 221.304 2.075 20 0 BEADMN C[C@H](N[C@@H](C)C1(Cl)CC1)c1ccn(C)n1 ZINC000926578654 645298016 /nfs/dbraw/zinc/29/80/16/645298016.db2.gz ZAUPVEXZFCMOQC-IUCAKERBSA-N 0 1 227.739 2.231 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CS[C@H](C)C2)on1 ZINC000926581540 645299203 /nfs/dbraw/zinc/29/92/03/645299203.db2.gz DUOBWNZZRAWMSL-VGMNWLOBSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000926613238 645313893 /nfs/dbraw/zinc/31/38/93/645313893.db2.gz BYNORQDNSKZFEE-YXCITZCRSA-N 0 1 235.302 2.248 20 0 BEADMN COCC1(CCN[C@@H](C)c2ncco2)CC1 ZINC000926630146 645322086 /nfs/dbraw/zinc/32/20/86/645322086.db2.gz SCZCGDVEWBORDU-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H](C)CC(F)F ZINC000926627926 645322107 /nfs/dbraw/zinc/32/21/07/645322107.db2.gz HULZGNFGBZDCSP-BQBZGAKWSA-N 0 1 233.262 2.320 20 0 BEADMN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ncco1 ZINC000926645142 645329560 /nfs/dbraw/zinc/32/95/60/645329560.db2.gz SAXSNQCRBYZATQ-HBNTYKKESA-N 0 1 226.320 2.122 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1ccccn1)c1ncco1 ZINC000926669282 645348554 /nfs/dbraw/zinc/34/85/54/645348554.db2.gz PNWOGRVGYMPOEI-WDEREUQCSA-N 0 1 231.299 2.351 20 0 BEADMN CC[C@H](C)CCN[C@H](C)c1cc(CO)on1 ZINC000926682336 645352394 /nfs/dbraw/zinc/35/23/94/645352394.db2.gz BGCIFLBDIJJHGH-VHSXEESVSA-N 0 1 226.320 2.254 20 0 BEADMN C[C@@H](NCCC(C)(C)F)c1ncco1 ZINC000926702337 645367086 /nfs/dbraw/zinc/36/70/86/645367086.db2.gz OXHCQAPSJGNYCO-MRVPVSSYSA-N 0 1 200.257 2.463 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@]1(C)CC1(F)F ZINC000926707057 645371435 /nfs/dbraw/zinc/37/14/35/645371435.db2.gz ZUKORPDPOWXRHB-HZGVNTEJSA-N 0 1 231.246 2.074 20 0 BEADMN c1cnc(CNC2CC3(C2)CCCC3)nc1 ZINC000926709182 645373435 /nfs/dbraw/zinc/37/34/35/645373435.db2.gz BTGNHGNPOZOPPT-UHFFFAOYSA-N 0 1 217.316 2.289 20 0 BEADMN C[C@@H]1C[C@H](N[C@@]2(C)CC2(C)C)c2ncnn21 ZINC000926721440 645383122 /nfs/dbraw/zinc/38/31/22/645383122.db2.gz JBEUYUJEHIWECK-PTRXPTGYSA-N 0 1 220.320 2.062 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1CC(C)C1 ZINC000926739026 645394121 /nfs/dbraw/zinc/39/41/21/645394121.db2.gz ZSRZUEQKYNYAEZ-CCNFQMFXSA-N 0 1 209.293 2.075 20 0 BEADMN C[C@@H](NCC[C@@H]1CCCOC1)c1ncco1 ZINC000926745163 645400005 /nfs/dbraw/zinc/40/00/05/645400005.db2.gz FJBCMNCAOZPYOO-MNOVXSKESA-N 0 1 224.304 2.142 20 0 BEADMN COC1(OC)CC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000926785143 645430172 /nfs/dbraw/zinc/43/01/72/645430172.db2.gz IUBBBRJMGGSXFH-HBNTYKKESA-N 0 1 231.311 2.008 20 0 BEADMN O=C(OCc1c[nH]nn1)c1cccc(C2CC2)c1 ZINC000847707811 645432684 /nfs/dbraw/zinc/43/26/84/645432684.db2.gz POHGYXJXJVTNQA-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN C[C@H](NCCCCC1CC1)c1cnn(C)n1 ZINC000926802168 645439912 /nfs/dbraw/zinc/43/99/12/645439912.db2.gz UDQCZNLQBFESJV-JTQLQIEISA-N 0 1 222.336 2.046 20 0 BEADMN FC(F)[C@H]1CN([C@@H]2C[C@H]3C=C[C@@H]2CC3)CCO1 ZINC000926822172 645443752 /nfs/dbraw/zinc/44/37/52/645443752.db2.gz JFEGNFASEQNAJA-IRCOFANPSA-N 0 1 243.297 2.307 20 0 BEADMN C=C/C=C\CCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926844399 645453743 /nfs/dbraw/zinc/45/37/43/645453743.db2.gz KUJOIRWKCMSEGD-WQMVXFAESA-N 0 1 218.304 2.006 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cnn(C)n1 ZINC000926856003 645458008 /nfs/dbraw/zinc/45/80/08/645458008.db2.gz STDUQDARXSYIDY-FIQHERPVSA-N 0 1 234.347 2.044 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926951694 645499136 /nfs/dbraw/zinc/49/91/36/645499136.db2.gz VFKWTWGUGKNFEX-APQOSEDMSA-N 0 1 249.236 2.227 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCS[C@@H](C)C1 ZINC000927030655 645529673 /nfs/dbraw/zinc/52/96/73/645529673.db2.gz SXTSHSOUWVKPBJ-OYNCUSHFSA-N 0 1 241.360 2.313 20 0 BEADMN COC[C@H](CN[C@@H](C)c1ncco1)C(C)C ZINC000927097318 645550107 /nfs/dbraw/zinc/55/01/07/645550107.db2.gz ULLGXQPFIDNOTQ-QWRGUYRKSA-N 0 1 226.320 2.244 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@]12C[C@H]1CCC2 ZINC000927121188 645557198 /nfs/dbraw/zinc/55/71/98/645557198.db2.gz JLJFHTWTUWUUON-XRNSZHNASA-N 0 1 221.304 2.219 20 0 BEADMN CCOC[C@@H](C)NCc1c(C)noc1CC ZINC000927139618 645567723 /nfs/dbraw/zinc/56/77/23/645567723.db2.gz MLAKWHKUVBXOIG-SECBINFHSA-N 0 1 226.320 2.060 20 0 BEADMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1nccn1C ZINC000927160681 645580507 /nfs/dbraw/zinc/58/05/07/645580507.db2.gz MNLLBSJHOSRDBQ-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN C/C=C(/CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927698722 645639532 /nfs/dbraw/zinc/63/95/32/645639532.db2.gz CABYHNYWKFHORB-WZUFQYTHSA-N 0 1 247.342 2.120 20 0 BEADMN CC1=NO[C@H](CNCc2ccc(F)c(C)c2)C1 ZINC000857707296 645654473 /nfs/dbraw/zinc/65/44/73/645654473.db2.gz CQORQXDZNXQNBB-LBPRGKRZSA-N 0 1 236.290 2.389 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859326640 645681173 /nfs/dbraw/zinc/68/11/73/645681173.db2.gz APOKRACERXFKBR-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCNC[C@@H]1CCC ZINC000876796429 645786942 /nfs/dbraw/zinc/78/69/42/645786942.db2.gz DROUMIUKZXRHDX-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@H](C(=O)NC[C@H]1CCN1C)C(C)C ZINC000928551133 645806845 /nfs/dbraw/zinc/80/68/45/645806845.db2.gz LGUWNGZUAKTLIS-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@H]1CNC(=O)CCCC(C)(C)C ZINC000928561518 645819624 /nfs/dbraw/zinc/81/96/24/645819624.db2.gz GYDMOGWDTCCYJB-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CCCC(C)(C)C ZINC000928561515 645819867 /nfs/dbraw/zinc/81/98/67/645819867.db2.gz GYDMOGWDTCCYJB-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CN1CC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000928560638 645820639 /nfs/dbraw/zinc/82/06/39/645820639.db2.gz ZXUZHJVETCGAGZ-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1ccn(C)n1 ZINC000878705039 645823013 /nfs/dbraw/zinc/82/30/13/645823013.db2.gz NJRUTKFPWWPXNG-NWDGAFQWSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1ccn(C)n1 ZINC000878705040 645823526 /nfs/dbraw/zinc/82/35/26/645823526.db2.gz NJRUTKFPWWPXNG-RYUDHWBXSA-N 0 1 249.358 2.030 20 0 BEADMN CCCCC[C@@H](C)CC(=O)NC[C@@H]1CCN1C ZINC000928563431 645824869 /nfs/dbraw/zinc/82/48/69/645824869.db2.gz LWGMUMHXCJICMC-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928568320 645831552 /nfs/dbraw/zinc/83/15/52/645831552.db2.gz SWPRZXCMMSJQQP-KGLIPLIRSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](CC(=O)NC[C@H]1CCN1C)C(C)(C)C ZINC000928572037 645833379 /nfs/dbraw/zinc/83/33/79/645833379.db2.gz UYYCDHJKVCXTLV-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1c(C)noc1C(C)C ZINC000928782558 645857161 /nfs/dbraw/zinc/85/71/61/645857161.db2.gz ONLZRBVDUXRQSF-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CCn1cc(C[N@@H+](C)CC2CCCCC2)nn1 ZINC000883996012 645865215 /nfs/dbraw/zinc/86/52/15/645865215.db2.gz CYPXOMBYAUESPK-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CCn1cc(CN(C)CC2CCCCC2)nn1 ZINC000883996012 645865217 /nfs/dbraw/zinc/86/52/17/645865217.db2.gz CYPXOMBYAUESPK-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CCn1cc(C[N@@H+](C)C2CCCCCC2)nn1 ZINC000883996025 645865347 /nfs/dbraw/zinc/86/53/47/645865347.db2.gz DWLCPUHIBWNHDL-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1cc(CN(C)C2CCCCCC2)nn1 ZINC000883996025 645865353 /nfs/dbraw/zinc/86/53/53/645865353.db2.gz DWLCPUHIBWNHDL-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN F[C@H]1CCN(C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886223622 645883951 /nfs/dbraw/zinc/88/39/51/645883951.db2.gz OEZBJZZFWXFHJM-RYUDHWBXSA-N 0 1 227.323 2.380 20 0 BEADMN C[C@H](NCC[C@H]1CCCCO1)c1ncco1 ZINC000886538085 645888182 /nfs/dbraw/zinc/88/81/82/645888182.db2.gz BGJOIDAQJDCLHI-WDEREUQCSA-N 0 1 224.304 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+]C2(C3CC3)CCC2)n1 ZINC000887148843 645894919 /nfs/dbraw/zinc/89/49/19/645894919.db2.gz ZCAJFHHHKROWGK-SNVBAGLBSA-N 0 1 247.342 2.474 20 0 BEADMN C[C@H]1CCC[C@H](c2noc(Cc3nnc[nH]3)n2)C1 ZINC000923862538 645959785 /nfs/dbraw/zinc/95/97/85/645959785.db2.gz XVOLXYTZDSVWGX-IUCAKERBSA-N 0 1 247.302 2.072 20 0 BEADMN COC/C(C)=C\CN(C)Cc1ccco1 ZINC000929137602 645964315 /nfs/dbraw/zinc/96/43/15/645964315.db2.gz FKHHYOJOZRMMES-WDZFZDKYSA-N 0 1 209.289 2.304 20 0 BEADMN O=C(NC1CCCC1)c1cccc(F)c1O ZINC000929197356 645999511 /nfs/dbraw/zinc/99/95/11/645999511.db2.gz MJCCCODSTRAVTA-UHFFFAOYSA-N 0 1 223.247 2.204 20 0 BEADMN CC1CCN(C(=O)c2cccc(F)c2O)CC1 ZINC000929209001 646006581 /nfs/dbraw/zinc/00/65/81/646006581.db2.gz IPALWKGHEUEHNW-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN C[C@H](c1ncccn1)N1CCCCCC1 ZINC000929233105 646024960 /nfs/dbraw/zinc/02/49/60/646024960.db2.gz DDVAEPVWILBHOU-LLVKDONJSA-N 0 1 205.305 2.414 20 0 BEADMN C[C@H](c1ncccn1)N1C2CCC1CC2 ZINC000929248605 646033452 /nfs/dbraw/zinc/03/34/52/646033452.db2.gz ZVQMHLMIINKVCP-KPPDAEKUSA-N 0 1 203.289 2.164 20 0 BEADMN CCC[C@H](C)N(C)Cc1nn(C)cc1C ZINC000929252593 646037355 /nfs/dbraw/zinc/03/73/55/646037355.db2.gz RJQZRXAUQHSTAK-NSHDSACASA-N 0 1 209.337 2.349 20 0 BEADMN Fc1cccc(CCN2CCSCC2)c1 ZINC000929278851 646056312 /nfs/dbraw/zinc/05/63/12/646056312.db2.gz XWHXWYIYQNCTJR-UHFFFAOYSA-N 0 1 225.332 2.417 20 0 BEADMN Cc1nonc1[C@@H](C)NC1CCCCC1 ZINC000924541253 646061237 /nfs/dbraw/zinc/06/12/37/646061237.db2.gz BQMMYEPFNLNHHI-MRVPVSSYSA-N 0 1 209.293 2.361 20 0 BEADMN CCCCCN[C@@H](C)c1cc(CO)on1 ZINC000924543789 646063096 /nfs/dbraw/zinc/06/30/96/646063096.db2.gz SACNOJQLNLWRCZ-VIFPVBQESA-N 0 1 212.293 2.008 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccs1)c1cnnn1C ZINC000924548761 646063721 /nfs/dbraw/zinc/06/37/21/646063721.db2.gz MDGIHGJEIHWJKO-BDAKNGLRSA-N 0 1 236.344 2.288 20 0 BEADMN Cc1nonc1[C@H](C)NCCCC(C)C ZINC000924604378 646074079 /nfs/dbraw/zinc/07/40/79/646074079.db2.gz SDYNCICFPOMZOG-VIFPVBQESA-N 0 1 211.309 2.465 20 0 BEADMN COC/C(C)=C/CN(C)Cc1ccoc1 ZINC000929326857 646081373 /nfs/dbraw/zinc/08/13/73/646081373.db2.gz BUXFZQWPWDKMPY-NYYWCZLTSA-N 0 1 209.289 2.304 20 0 BEADMN CCc1onc(C)c1CN(CC)CCOC ZINC000929342151 646088036 /nfs/dbraw/zinc/08/80/36/646088036.db2.gz XWQBTSVERIKTRF-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN C[C@@H]1CN(CCc2ccns2)CC(C)(C)O1 ZINC000929347458 646090471 /nfs/dbraw/zinc/09/04/71/646090471.db2.gz GYYRMUQHIUMEHS-SNVBAGLBSA-N 0 1 240.372 2.185 20 0 BEADMN COC(=O)/C=C(\C)CN(C)[C@@H](C)c1ccco1 ZINC000929369585 646100694 /nfs/dbraw/zinc/10/06/94/646100694.db2.gz CGHLWJYEBBBAOY-UQSGXBNBSA-N 0 1 237.299 2.392 20 0 BEADMN C[C@@H](c1ccco1)N(C)CCO[C@H]1CCOC1 ZINC000929369250 646102143 /nfs/dbraw/zinc/10/21/43/646102143.db2.gz GEWPYYOSDZBVGR-RYUDHWBXSA-N 0 1 239.315 2.078 20 0 BEADMN C[C@@H]1CC2(CC(NCc3cscn3)C2)CO1 ZINC000924870770 646122260 /nfs/dbraw/zinc/12/22/60/646122260.db2.gz GCYBSNYZWQRSKG-GRZMOONWSA-N 0 1 238.356 2.190 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cncc(C(=O)OC)c1 ZINC000929490692 646144679 /nfs/dbraw/zinc/14/46/79/646144679.db2.gz BSPAHXJHZLQYPA-CYBMUJFWSA-N 0 1 248.326 2.243 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000929491863 646145152 /nfs/dbraw/zinc/14/51/52/646145152.db2.gz YXNAUIFPNSCKCF-CYBMUJFWSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1cc(C)nc(CN2CCCO[C@H](C)C2)c1 ZINC000929491863 646145164 /nfs/dbraw/zinc/14/51/64/646145164.db2.gz YXNAUIFPNSCKCF-CYBMUJFWSA-N 0 1 234.343 2.309 20 0 BEADMN CC[C@@](C)(O)CN[C@H]1CCCc2oc(C)nc21 ZINC000924994628 646152517 /nfs/dbraw/zinc/15/25/17/646152517.db2.gz XKXKJLGUOGMWSK-GXFFZTMASA-N 0 1 238.331 2.111 20 0 BEADMN CSCCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000925094941 646181792 /nfs/dbraw/zinc/18/17/92/646181792.db2.gz QGWVTNYYVAROOZ-SNVBAGLBSA-N 0 1 242.392 2.263 20 0 BEADMN CSCCCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000925100603 646184318 /nfs/dbraw/zinc/18/43/18/646184318.db2.gz UNTOUDVOWQKDAQ-NXEZZACHSA-N 0 1 240.376 2.017 20 0 BEADMN CCOC(=O)[C@@H]1C[C@H]1CN1Cc2ccccc2C1 ZINC000929587203 646187107 /nfs/dbraw/zinc/18/71/07/646187107.db2.gz QHNVPBXPSIWNLX-UONOGXRCSA-N 0 1 245.322 2.201 20 0 BEADMN CCOC[C@H]1CCCN([C@@H](C)c2ncccn2)C1 ZINC000929643688 646216776 /nfs/dbraw/zinc/21/67/76/646216776.db2.gz IMLLVXGUCOKZLF-STQMWFEESA-N 0 1 249.358 2.286 20 0 BEADMN CCN(CC(C)(C)O)[C@@H](C)c1snnc1C ZINC000929644239 646218828 /nfs/dbraw/zinc/21/88/28/646218828.db2.gz PHIUBBRIIOATSQ-VIFPVBQESA-N 0 1 243.376 2.000 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1ncco1 ZINC000925280444 646231246 /nfs/dbraw/zinc/23/12/46/646231246.db2.gz RAGQSDJYCOLKIZ-IRCOFANPSA-N 0 1 236.315 2.283 20 0 BEADMN COC[C@@H](CN(C)Cc1ccon1)C(C)C ZINC000929698148 646252985 /nfs/dbraw/zinc/25/29/85/646252985.db2.gz ZEZYHMZOGCKPCW-LLVKDONJSA-N 0 1 226.320 2.025 20 0 BEADMN CC[C@H](CO)N1CCO[C@H](c2ccccc2C)C1 ZINC000929706969 646261511 /nfs/dbraw/zinc/26/15/11/646261511.db2.gz DHCUEFNERRZHOC-HIFRSBDPSA-N 0 1 249.354 2.139 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cccc(F)c1O ZINC000929708035 646264551 /nfs/dbraw/zinc/26/45/51/646264551.db2.gz QNKMGOPXZJJESY-QMMMGPOBSA-N 0 1 237.274 2.402 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@H]2CCC[C@H]21 ZINC000929714191 646267814 /nfs/dbraw/zinc/26/78/14/646267814.db2.gz QNOQHASYEIWMLY-TZMCWYRMSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1nonc1[C@H](C)NCCCC1CC1 ZINC000925435171 646281059 /nfs/dbraw/zinc/28/10/59/646281059.db2.gz NYTJOECBWSCDLZ-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN C[C@H]1C[C@H](NCCCC2CC2)c2ncnn21 ZINC000925435230 646281476 /nfs/dbraw/zinc/28/14/76/646281476.db2.gz PAXBCCVXDKZBIY-ONGXEEELSA-N 0 1 220.320 2.064 20 0 BEADMN C[C@@H](NCCCc1nccs1)c1ncco1 ZINC000925441337 646283877 /nfs/dbraw/zinc/28/38/77/646283877.db2.gz HFDRIOLKHGHHNJ-SECBINFHSA-N 0 1 237.328 2.415 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@H](C)c1nn(CC)nc1C ZINC000925486765 646296925 /nfs/dbraw/zinc/29/69/25/646296925.db2.gz VAEOUFHXNDKUOY-YUSALJHKSA-N 0 1 236.363 2.446 20 0 BEADMN CCC1(CN[C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000925498951 646304662 /nfs/dbraw/zinc/30/46/62/646304662.db2.gz UKCHFCDUWROVSN-ZJUUUORDSA-N 0 1 220.320 2.064 20 0 BEADMN CCCC1(CN[C@@H](C)c2cnn(C)n2)CC1 ZINC000925534133 646319476 /nfs/dbraw/zinc/31/94/76/646319476.db2.gz SUBIILMEFRNOSV-JTQLQIEISA-N 0 1 222.336 2.046 20 0 BEADMN CCCC1(CN[C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000925538993 646321976 /nfs/dbraw/zinc/32/19/76/646321976.db2.gz VGRFBZFBFNKZAA-MNOVXSKESA-N 0 1 234.347 2.454 20 0 BEADMN CCCCN(C)C(=O)c1cccc(F)c1O ZINC000929792524 646322404 /nfs/dbraw/zinc/32/24/04/646322404.db2.gz NIGHBBITBGRTRE-UHFFFAOYSA-N 0 1 225.263 2.403 20 0 BEADMN CC[C@H]1CCN([C@H](C)c2ncccn2)C1 ZINC000929824201 646338816 /nfs/dbraw/zinc/33/88/16/646338816.db2.gz UNYMQLHTQNPOHF-MNOVXSKESA-N 0 1 205.305 2.270 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC[S@](=O)C(F)(F)F ZINC000929827267 646341262 /nfs/dbraw/zinc/34/12/62/646341262.db2.gz BFRIDACCNVOWLY-PISXGGPESA-N 0 1 243.294 2.128 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC[S@@](=O)C(F)(F)F ZINC000929827268 646341961 /nfs/dbraw/zinc/34/19/61/646341961.db2.gz BFRIDACCNVOWLY-VGZKNDNBSA-N 0 1 243.294 2.128 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1noc2c1COCC2 ZINC000929827630 646344549 /nfs/dbraw/zinc/34/45/49/646344549.db2.gz FAUJZAQDHJADGK-AOOOYVTPSA-N 0 1 236.315 2.120 20 0 BEADMN C[C@@H](Cc1ccccn1)NCc1ncccc1F ZINC000925600386 646352564 /nfs/dbraw/zinc/35/25/64/646352564.db2.gz VTKVRVYOCJPUOZ-NSHDSACASA-N 0 1 245.301 2.337 20 0 BEADMN C[C@H]1OCCN(CCCc2cccnc2)[C@@H]1C ZINC000929845106 646356275 /nfs/dbraw/zinc/35/62/75/646356275.db2.gz VRXJURRRIUMPPX-CHWSQXEVSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929847131 646358522 /nfs/dbraw/zinc/35/85/22/646358522.db2.gz KSIQUOMWLCYDFI-CSYMLDBXSA-N 0 1 245.313 2.387 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC000929916312 646374096 /nfs/dbraw/zinc/37/40/96/646374096.db2.gz RWDNZBFQHZIYQI-KYVBTAMFSA-N 0 1 247.342 2.017 20 0 BEADMN CN(CCSc1ccncc1)Cc1cn[nH]c1 ZINC000930012702 646394798 /nfs/dbraw/zinc/39/47/98/646394798.db2.gz AJLXPWQHJHJKQN-UHFFFAOYSA-N 0 1 248.355 2.029 20 0 BEADMN CN(CCc1ccns1)Cc1cccnc1 ZINC000930090672 646429624 /nfs/dbraw/zinc/42/96/24/646429624.db2.gz VKHPGQRBDGSVBH-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN C[C@@H](c1ccccn1)N(C)CCOC1CC1 ZINC000930119771 646443219 /nfs/dbraw/zinc/44/32/19/646443219.db2.gz RNAHCOGSYBTBDR-NSHDSACASA-N 0 1 220.316 2.253 20 0 BEADMN C[C@H]1CC[C@@H](N[C@@H]2CNOC2)c2sccc21 ZINC000925860264 646512171 /nfs/dbraw/zinc/51/21/71/646512171.db2.gz OHVTYGMTHGDGDZ-IQJOONFLSA-N 0 1 238.356 2.180 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1ccc(F)c(Cl)c1 ZINC000925863727 646516531 /nfs/dbraw/zinc/51/65/31/646516531.db2.gz DAKGZHVXCUNDLS-VXNVDRBHSA-N 0 1 244.697 2.033 20 0 BEADMN C[C@H]1COC[C@H]1NC1(c2ccccc2F)CC1 ZINC000925883571 646532921 /nfs/dbraw/zinc/53/29/21/646532921.db2.gz KOHIKEOWLKCSTL-GXFFZTMASA-N 0 1 235.302 2.439 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCC(F)(F)C2)c2ncnn21 ZINC000925929842 646544383 /nfs/dbraw/zinc/54/43/83/646544383.db2.gz SDDRKEDKGIRNSY-HRDYMLBCSA-N 0 1 242.273 2.061 20 0 BEADMN COC1CC(N[C@@H]2CCCc3oc(C)nc32)C1 ZINC000926157362 646586716 /nfs/dbraw/zinc/58/67/16/646586716.db2.gz VFNJNBDKRXUWPT-VQXHTEKXSA-N 0 1 236.315 2.127 20 0 BEADMN CCOC[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000926223984 646597555 /nfs/dbraw/zinc/59/75/55/646597555.db2.gz JPOUNUOEYAKIGD-GXSJLCMTSA-N 0 1 238.331 2.375 20 0 BEADMN CC(C)SCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926419490 646632049 /nfs/dbraw/zinc/63/20/49/646632049.db2.gz APQBKNXEGFNORF-NXEZZACHSA-N 0 1 240.376 2.015 20 0 BEADMN COc1cc([C@H](C)NCCSC(C)C)on1 ZINC000926421803 646634193 /nfs/dbraw/zinc/63/41/93/646634193.db2.gz DVRTUKQZTQPTQG-VIFPVBQESA-N 0 1 244.360 2.475 20 0 BEADMN C[C@@H](N[C@H]1CCC1(C)C)c1cc(CO)on1 ZINC000926423221 646635458 /nfs/dbraw/zinc/63/54/58/646635458.db2.gz JIKZDOQQIYNUFM-KCJUWKMLSA-N 0 1 224.304 2.006 20 0 BEADMN COc1cc([C@@H](C)NCCC(C)(F)F)on1 ZINC000926495847 646662140 /nfs/dbraw/zinc/66/21/40/646662140.db2.gz WCGPCZYIBIFGFH-SSDOTTSWSA-N 0 1 234.246 2.379 20 0 BEADMN COc1cc([C@H](C)NCCC(C)(F)F)on1 ZINC000926495848 646662967 /nfs/dbraw/zinc/66/29/67/646662967.db2.gz WCGPCZYIBIFGFH-ZETCQYMHSA-N 0 1 234.246 2.379 20 0 BEADMN CCC[C@H](CN[C@H](C)c1cc(OC)no1)OC ZINC000926503161 646663799 /nfs/dbraw/zinc/66/37/99/646663799.db2.gz UITHDWJHBPZXJY-NXEZZACHSA-N 0 1 242.319 2.149 20 0 BEADMN C(NC1CC2(C1)CCCC2)c1nnc(C2CC2)[nH]1 ZINC000926505910 646665936 /nfs/dbraw/zinc/66/59/36/646665936.db2.gz LGGDDISQEPPYOR-UHFFFAOYSA-N 0 1 246.358 2.495 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(Cl)nc1 ZINC000724123308 711562557 /nfs/dbraw/zinc/56/25/57/711562557.db2.gz WKMCWULVLZVUGV-WDEREUQCSA-N 0 1 240.734 2.344 20 0 BEADMN COCCCCNCc1nc(C(C)(C)C)co1 ZINC000724407495 711578961 /nfs/dbraw/zinc/57/89/61/711578961.db2.gz GWZYRWZIOKHJLW-UHFFFAOYSA-N 0 1 240.347 2.488 20 0 BEADMN CCN(Cc1[nH]c(C)nc1C)C[C@H]1CCCO1 ZINC000724782532 711614356 /nfs/dbraw/zinc/61/43/56/711614356.db2.gz GLHDDJGYIVEYCO-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@H](c1ccc(F)nc1)[N@@H+](C)CC(C)(C)CO ZINC000930607138 711698963 /nfs/dbraw/zinc/69/89/63/711698963.db2.gz WDBUDBZRPZJCNB-SNVBAGLBSA-N 0 1 240.322 2.232 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C[C@H]1CCSC1 ZINC000257645980 711720959 /nfs/dbraw/zinc/72/09/59/711720959.db2.gz DIMWQQRKWDHODH-MNOVXSKESA-N 0 1 243.372 2.069 20 0 BEADMN CC[C@@H]1[C@@H](CO)CCN1C/C(Cl)=C\Cl ZINC000385911122 711832044 /nfs/dbraw/zinc/83/20/44/711832044.db2.gz RAGREJYIJZNYLZ-QCHKVSTKSA-N 0 1 238.158 2.398 20 0 BEADMN COC(=O)c1sccc1CNCC[C@@H](C)F ZINC000702565666 712055519 /nfs/dbraw/zinc/05/55/19/712055519.db2.gz XMLDYAXBWPJLMG-MRVPVSSYSA-N 0 1 245.319 2.372 20 0 BEADMN CCc1nnc(CNCCCCCOC)s1 ZINC000702704585 712059786 /nfs/dbraw/zinc/05/97/86/712059786.db2.gz BZEKTYOCPIWHOY-UHFFFAOYSA-N 0 1 243.376 2.007 20 0 BEADMN CCC[C@@H]1C[C@@H]1NCc1nnc(C)s1 ZINC000704705320 712113365 /nfs/dbraw/zinc/11/33/65/712113365.db2.gz GHYOMQPILDEMEY-BDAKNGLRSA-N 0 1 211.334 2.125 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2N)[C@H]1C ZINC000706874294 712157926 /nfs/dbraw/zinc/15/79/26/712157926.db2.gz ZTUOLSQRNSJKKS-BDAKNGLRSA-N 0 1 208.280 2.248 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000706930298 712161685 /nfs/dbraw/zinc/16/16/85/712161685.db2.gz VQKVJTYLCPJIIF-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN C[C@H](O)[C@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000708398743 712192369 /nfs/dbraw/zinc/19/23/69/712192369.db2.gz ZWKHZWBZGKOKCH-IUCAKERBSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@@H](C(N)=O)N1CCC(C2CCCCC2)CC1 ZINC000708848201 712200733 /nfs/dbraw/zinc/20/07/33/712200733.db2.gz WEBJDFLAUAFDBA-NSHDSACASA-N 0 1 238.375 2.153 20 0 BEADMN O[C@H]1C[C@H]2C[C@@H](C1)N(CC=C(Cl)Cl)C2 ZINC000709808292 712228455 /nfs/dbraw/zinc/22/84/55/712228455.db2.gz IYIVDRKURGXJKP-VGMNWLOBSA-N 0 1 236.142 2.151 20 0 BEADMN C[C@H](NCC1=CCCC1)c1cn(C)cn1 ZINC000709932698 712233887 /nfs/dbraw/zinc/23/38/87/712233887.db2.gz FUBIDCGXWQHGNL-JTQLQIEISA-N 0 1 205.305 2.181 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cn(C)cn1 ZINC000709986761 712237087 /nfs/dbraw/zinc/23/70/87/712237087.db2.gz GOPPDTFPWYVRDJ-YUMQZZPRSA-N 0 1 235.253 2.412 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCCOC1CC1 ZINC000711658894 712314721 /nfs/dbraw/zinc/31/47/21/712314721.db2.gz PQAOJPPLHWHQHT-MRVPVSSYSA-N 0 1 224.304 2.121 20 0 BEADMN COC(=O)c1sccc1CNC1CC=CC1 ZINC000378756627 712360358 /nfs/dbraw/zinc/36/03/58/712360358.db2.gz SHPSGRIPDYZKKJ-UHFFFAOYSA-N 0 1 237.324 2.343 20 0 BEADMN CC[C@@H]1CN(C/C=C\Cl)CCCO1 ZINC000379373341 712378222 /nfs/dbraw/zinc/37/82/22/712378222.db2.gz LDTVBKHGEVKETN-TZGMSPROSA-N 0 1 203.713 2.240 20 0 BEADMN C[C@H]1CSCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000379499272 712386711 /nfs/dbraw/zinc/38/67/11/712386711.db2.gz UTBXHZLKSQJBFQ-SNVBAGLBSA-N 0 1 245.388 2.172 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+](CC(=O)[O-])CC(C)C ZINC000723069113 712391562 /nfs/dbraw/zinc/39/15/62/712391562.db2.gz BBYMCFTZHNZWGP-MNOVXSKESA-N 0 1 213.321 2.075 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@](C)(CC)C2)C1 ZINC000758397986 712408520 /nfs/dbraw/zinc/40/85/20/712408520.db2.gz RXZAEBCLGKJGBK-OCCSQVGLSA-N 0 1 238.375 2.324 20 0 BEADMN Cc1nc([C@H](C)NC[C@H]2CCN2C)c(C)s1 ZINC000712574976 712448277 /nfs/dbraw/zinc/44/82/77/712448277.db2.gz YQBYIPQONYQKJP-GZMMTYOYSA-N 0 1 239.388 2.115 20 0 BEADMN C=C/C=C\CC[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000713704586 712469272 /nfs/dbraw/zinc/46/92/72/712469272.db2.gz VKBUYUIWKYNDQB-ZADCQDASSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000713704683 712469390 /nfs/dbraw/zinc/46/93/90/712469390.db2.gz VZUVVTQCWQEAQE-ITKZLYELSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000713725270 712470228 /nfs/dbraw/zinc/47/02/28/712470228.db2.gz GXUKOKASWYSFBZ-DFPOMNKCSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CC[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000713710794 712470230 /nfs/dbraw/zinc/47/02/30/712470230.db2.gz IFOKLNXDSYQFMR-SNAWJCMRSA-N 0 1 223.316 2.448 20 0 BEADMN Cc1cc(CNC[C@H]2CCCC(C)(C)O2)on1 ZINC000714387047 712487004 /nfs/dbraw/zinc/48/70/04/712487004.db2.gz VHQXNOGIFYJVCX-LLVKDONJSA-N 0 1 238.331 2.420 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccns1 ZINC000715955761 712545754 /nfs/dbraw/zinc/54/57/54/712545754.db2.gz TWRYDDGJYLSIEE-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN Cc1nnc([C@H](C)NCCCC2CC2)o1 ZINC000380122883 712688011 /nfs/dbraw/zinc/68/80/11/712688011.db2.gz QZJAEUUONGSAPY-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN CCC1(CN[C@H](C)c2nonc2C)CC1 ZINC000925498514 712699383 /nfs/dbraw/zinc/69/93/83/712699383.db2.gz PYNXINSHEYJLGD-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CC1(C)C[C@H](NCc2cnc(Cl)s2)CO1 ZINC000718149388 712749214 /nfs/dbraw/zinc/74/92/14/712749214.db2.gz YUAPGMLEZDFCTJ-ZETCQYMHSA-N 0 1 246.763 2.454 20 0 BEADMN COCC(C)(C)CCNCc1ncc(C)o1 ZINC000718650042 712776790 /nfs/dbraw/zinc/77/67/90/712776790.db2.gz YLQZRRPEJRSRQU-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN Oc1cccc(Cl)c1-c1nccn2ncnc12 ZINC001244044079 1169766217 /nfs/dbraw/zinc/76/62/17/1169766217.db2.gz GNDHDRHFIMAWTQ-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN CC(=O)NC[C@H]1CCN1Cc1cc(C)cc(C)c1 ZINC001037989744 712897110 /nfs/dbraw/zinc/89/71/10/712897110.db2.gz FAHYSYCIJNGJKR-OAHLLOKOSA-N 0 1 246.354 2.014 20 0 BEADMN CCc1cc(CN[C@H](C)c2nccs2)n[nH]1 ZINC000381313435 710619863 /nfs/dbraw/zinc/61/98/63/710619863.db2.gz MFIBRQNFLDVPRV-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN Cn1c(Cl)cnc1CN[C@@H]1CCC(F)(F)C1 ZINC000381567855 710656905 /nfs/dbraw/zinc/65/69/05/710656905.db2.gz UFWYXYOLVBOIOU-SSDOTTSWSA-N 0 1 249.692 2.351 20 0 BEADMN Cn1c(Cl)cnc1CN[C@H]1CCC(F)(F)C1 ZINC000381567858 710656960 /nfs/dbraw/zinc/65/69/60/710656960.db2.gz UFWYXYOLVBOIOU-ZETCQYMHSA-N 0 1 249.692 2.351 20 0 BEADMN CCCC[N@@H+](CC)Cc1cncc(C(=O)[O-])c1 ZINC000721537634 710680075 /nfs/dbraw/zinc/68/00/75/710680075.db2.gz AWFKRBYWVVIUSY-UHFFFAOYSA-N 0 1 236.315 2.402 20 0 BEADMN CCc1nnc(CNC2CC(C(F)F)C2)s1 ZINC000381770006 710707941 /nfs/dbraw/zinc/70/79/41/710707941.db2.gz VZNUCDNTUBBOBU-UHFFFAOYSA-N 0 1 247.314 2.234 20 0 BEADMN C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039544458 710746517 /nfs/dbraw/zinc/74/65/17/710746517.db2.gz CHNNWICQDWCUEB-JCENTIBYSA-N 0 1 236.359 2.038 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000383811571 710945659 /nfs/dbraw/zinc/94/56/59/710945659.db2.gz AOODKQXVRWKBQL-NWDGAFQWSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC2CCC1CC2 ZINC000399967611 710912835 /nfs/dbraw/zinc/91/28/35/710912835.db2.gz DAHPXQDOWAMDDH-WNYYMSAVSA-N 0 1 225.332 2.218 20 0 BEADMN C/C=C\CNCc1c(C)nn(C)c1Cl ZINC000384831355 710998721 /nfs/dbraw/zinc/99/87/21/710998721.db2.gz GWOWLSUUHZYFCA-PLNGDYQASA-N 0 1 213.712 2.048 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000380614890 712902029 /nfs/dbraw/zinc/90/20/29/712902029.db2.gz BSNHXKIDCXJWDN-VHSXEESVSA-N 0 1 234.299 2.010 20 0 BEADMN CSC(C)(C)CC[N@@H+](CC(=O)[O-])C(C)C ZINC000385840733 711017171 /nfs/dbraw/zinc/01/71/71/711017171.db2.gz NOSQMIBYRFZIPY-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCC(C)(C)SC ZINC000385851074 711019118 /nfs/dbraw/zinc/01/91/18/711019118.db2.gz PWNUWIFXVMVSLL-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN C[C@@H](Cc1ccco1)NCc1nc(C#N)cs1 ZINC000386095022 711022593 /nfs/dbraw/zinc/02/25/93/711022593.db2.gz GPXBMOLTYTXCBH-VIFPVBQESA-N 0 1 247.323 2.329 20 0 BEADMN Cc1ccsc1[C@H](CO)NC/C=C/Cl ZINC000388757978 711066675 /nfs/dbraw/zinc/06/66/75/711066675.db2.gz SKRQQJZITGQGOH-LXOKAJLYSA-N 0 1 231.748 2.432 20 0 BEADMN CSCCCCNCc1nnc(C)s1 ZINC000391796927 711139372 /nfs/dbraw/zinc/13/93/72/711139372.db2.gz DDVVUIRPEQPVEV-UHFFFAOYSA-N 0 1 231.390 2.079 20 0 BEADMN CCc1nnc(CNCCCCSC)s1 ZINC000391849825 711139582 /nfs/dbraw/zinc/13/95/82/711139582.db2.gz QIRHWUYSQUCRKV-UHFFFAOYSA-N 0 1 245.417 2.333 20 0 BEADMN Cc1nnc(CNC[C@@H]2CCCSC2)s1 ZINC000391871425 711141150 /nfs/dbraw/zinc/14/11/50/711141150.db2.gz JGGLMTYHXUHAPD-VIFPVBQESA-N 0 1 243.401 2.079 20 0 BEADMN Cc1nnc(CNC[C@H]2Cc3ccccc32)s1 ZINC000391974119 711141372 /nfs/dbraw/zinc/14/13/72/711141372.db2.gz KKHBFKKEEBLBPF-LLVKDONJSA-N 0 1 245.351 2.276 20 0 BEADMN Cc1nnc(CNC[C@@H]2Cc3ccccc32)s1 ZINC000391974120 711143042 /nfs/dbraw/zinc/14/30/42/711143042.db2.gz KKHBFKKEEBLBPF-NSHDSACASA-N 0 1 245.351 2.276 20 0 BEADMN Cc1nnc(CNCCCC(F)(F)F)s1 ZINC000392061124 711143127 /nfs/dbraw/zinc/14/31/27/711143127.db2.gz UEEGITSKKWLVQA-UHFFFAOYSA-N 0 1 239.266 2.279 20 0 BEADMN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ncc[nH]1 ZINC000393661923 711167831 /nfs/dbraw/zinc/16/78/31/711167831.db2.gz YZIHTXPDCSOWKO-SFYZADRCSA-N 0 1 215.247 2.248 20 0 BEADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCCC1CC1 ZINC000394558521 711193912 /nfs/dbraw/zinc/19/39/12/711193912.db2.gz LQXBLBJBPNOTTN-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN CSC(C)(C)CCNCc1ccon1 ZINC000395385172 711209970 /nfs/dbraw/zinc/20/99/70/711209970.db2.gz SKVRKOVHKYTNGL-UHFFFAOYSA-N 0 1 214.334 2.296 20 0 BEADMN CN[C@@H](C)c1nc(-c2sccc2C)no1 ZINC000395499502 711211191 /nfs/dbraw/zinc/21/11/91/711211191.db2.gz VRTSBWUWJNIMLZ-ZETCQYMHSA-N 0 1 223.301 2.387 20 0 BEADMN C[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CC(C)(C)C1 ZINC000395434337 711211586 /nfs/dbraw/zinc/21/15/86/711211586.db2.gz NBNYCINZFLGBCE-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1C[N@H+](CCC(C)(C)C(=O)[O-])C[C@H](C)S1 ZINC000395571866 711212775 /nfs/dbraw/zinc/21/27/75/711212775.db2.gz LYHBYMKAGMMPHG-AOOOYVTPSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000399518606 711430587 /nfs/dbraw/zinc/43/05/87/711430587.db2.gz JDXWEMDIQBCQTE-ZYHUDNBSSA-N 0 1 248.326 2.400 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000398303475 711407223 /nfs/dbraw/zinc/40/72/23/711407223.db2.gz SQYQQWGQIUBXEZ-QJPTWQEYSA-N 0 1 234.347 2.253 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCC2CC2)C1 ZINC000398801418 711416303 /nfs/dbraw/zinc/41/63/03/711416303.db2.gz SWXUETOCQQMKPF-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@@H]1CC ZINC000399497626 711430366 /nfs/dbraw/zinc/43/03/66/711430366.db2.gz BXYWRHAXADYUFJ-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CSC1(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CCC1 ZINC000380860465 710592060 /nfs/dbraw/zinc/59/20/60/710592060.db2.gz LNANLKQZGHHWJL-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000723140475 710726072 /nfs/dbraw/zinc/72/60/72/710726072.db2.gz RXOJFQWJOUAXOF-OWTLIXCDSA-N 0 1 237.343 2.362 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C)[C@@H]1CC ZINC000383828754 710948275 /nfs/dbraw/zinc/94/82/75/710948275.db2.gz IVUKHRALTRWHHQ-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C)[C@H]1CC ZINC000383828752 710948378 /nfs/dbraw/zinc/94/83/78/710948378.db2.gz IVUKHRALTRWHHQ-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000383609059 710984192 /nfs/dbraw/zinc/98/41/92/710984192.db2.gz MDLMMSCQFMZYHU-ZWNOBZJWSA-N 0 1 248.326 2.400 20 0 BEADMN C/C=C\CNCc1c(Cl)c(C)nn1C ZINC000384914835 711000159 /nfs/dbraw/zinc/00/01/59/711000159.db2.gz YYOYBWJRZFSDJM-PLNGDYQASA-N 0 1 213.712 2.048 20 0 BEADMN CCC=CCNc1nc(Cl)nc2[nH]cnc21 ZINC000384964208 711001846 /nfs/dbraw/zinc/00/18/46/711001846.db2.gz XCLQWNKPFPFOES-ARJAWSKDSA-N 0 1 237.694 2.336 20 0 BEADMN Cc1nc([C@H](C)NCc2cccs2)n[nH]1 ZINC000392444454 711147371 /nfs/dbraw/zinc/14/73/71/711147371.db2.gz CMNBAYKQCIXVQO-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(F)cc2)n[nH]1 ZINC000392474212 711148781 /nfs/dbraw/zinc/14/87/81/711148781.db2.gz VMJQVSITEGJTCQ-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN Cc1[nH+]c(N[C@@H]2C[C@H]3C[C@H]3C2)ccc1C(=O)[O-] ZINC000397809237 711392690 /nfs/dbraw/zinc/39/26/90/711392690.db2.gz IGWWSNNBPNBUDI-ILWJIGKKSA-N 0 1 232.283 2.299 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CC(=O)[O-] ZINC000722609122 711455430 /nfs/dbraw/zinc/45/54/30/711455430.db2.gz KYGHUBHYLOVQRK-UJPOAAIJSA-N 0 1 237.343 2.075 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1CC(=O)[O-] ZINC000722622699 711455750 /nfs/dbraw/zinc/45/57/50/711455750.db2.gz UUNAFSQFLFKFSR-NXEZZACHSA-N 0 1 239.340 2.291 20 0 BEADMN CCCCCC[N@@H+](CCC)CC(=O)OC ZINC000050065627 711489093 /nfs/dbraw/zinc/48/90/93/711489093.db2.gz DPEVKUDNDLUZAK-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN CCCCCCN(CCC)CC(=O)OC ZINC000050065627 711489095 /nfs/dbraw/zinc/48/90/95/711489095.db2.gz DPEVKUDNDLUZAK-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cccc(Cl)n1 ZINC000723032902 711496672 /nfs/dbraw/zinc/49/66/72/711496672.db2.gz WXBARIMPCJMOCU-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN Cn1ncc(CN[C@H]2CCC(F)(F)C2)c1Cl ZINC000393492170 711508306 /nfs/dbraw/zinc/50/83/06/711508306.db2.gz UAOLHYVYOOFNGW-QMMMGPOBSA-N 0 1 249.692 2.351 20 0 BEADMN FC(F)CN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723627418 711526770 /nfs/dbraw/zinc/52/67/70/711526770.db2.gz CRNWBNMYYNPDRG-LPEHRKFASA-N 0 1 219.275 2.046 20 0 BEADMN C[C@H]1CCN1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113708 711561445 /nfs/dbraw/zinc/56/14/45/711561445.db2.gz GQSSQSWJUNWZQX-BQBZGAKWSA-N 0 1 247.207 2.029 20 0 BEADMN CC(C)(C)c1coc(CNCC2CSC2)n1 ZINC000724435393 711580331 /nfs/dbraw/zinc/58/03/31/711580331.db2.gz ZZKHTJUAZPNAKI-UHFFFAOYSA-N 0 1 240.372 2.425 20 0 BEADMN CC(C)CSCCCN1CC[C@@H](O)[C@H](F)C1 ZINC000934565594 711594089 /nfs/dbraw/zinc/59/40/89/711594089.db2.gz IAMTWMLWGUKZGK-VXGBXAGGSA-N 0 1 249.395 2.170 20 0 BEADMN C[C@]1(C(F)(F)F)CCN(Cc2cnc[nH]2)C1 ZINC000724774179 711611618 /nfs/dbraw/zinc/61/16/18/711611618.db2.gz DXCJZMIDNVGIJH-VIFPVBQESA-N 0 1 233.237 2.184 20 0 BEADMN C[C@@]1(C(F)(F)F)CCN(Cc2cnc[nH]2)C1 ZINC000724774177 711611843 /nfs/dbraw/zinc/61/18/43/711611843.db2.gz DXCJZMIDNVGIJH-SECBINFHSA-N 0 1 233.237 2.184 20 0 BEADMN C[C@H]1C[N@H+](Cc2cncc(C(=O)[O-])c2)CC[C@@H]1C ZINC000721544799 711621051 /nfs/dbraw/zinc/62/10/51/711621051.db2.gz DOWPZYJXBUSIAN-QWRGUYRKSA-N 0 1 248.326 2.258 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C[C@H]1C ZINC000721544801 711621058 /nfs/dbraw/zinc/62/10/58/711621058.db2.gz DOWPZYJXBUSIAN-WDEREUQCSA-N 0 1 248.326 2.258 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721544095 711621103 /nfs/dbraw/zinc/62/11/03/711621103.db2.gz AVPHJCGJTQAEMD-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC000721548497 711622668 /nfs/dbraw/zinc/62/26/68/711622668.db2.gz SYYVZRJGRFNIEA-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1cncc(C(=O)[O-])c1)C1(C)CC1 ZINC000721580971 711651798 /nfs/dbraw/zinc/65/17/98/711651798.db2.gz QXCQGNQTTNAZPK-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H]([N@@H+](C)Cc1cncc(C(=O)[O-])c1)C1(C)CC1 ZINC000721580967 711651991 /nfs/dbraw/zinc/65/19/91/711651991.db2.gz QXCQGNQTTNAZPK-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN CC1(NCc2cncs2)CC(F)(F)C1 ZINC000720922950 711687313 /nfs/dbraw/zinc/68/73/13/711687313.db2.gz LJLJYKNACJERFU-UHFFFAOYSA-N 0 1 218.272 2.421 20 0 BEADMN COC[C@H](NC/C(Cl)=C/Cl)C1CC1 ZINC000308393535 711688839 /nfs/dbraw/zinc/68/88/39/711688839.db2.gz CETZNXZPOYTUOH-OTOXVQDCSA-N 0 1 224.131 2.320 20 0 BEADMN CCN(CC(=O)OCC(C)C)CC(C)C ZINC000181432286 711698060 /nfs/dbraw/zinc/69/80/60/711698060.db2.gz WLFBRVXCCWLJTE-UHFFFAOYSA-N 0 1 215.337 2.164 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C)o1 ZINC000257667482 711724676 /nfs/dbraw/zinc/72/46/76/711724676.db2.gz KYIFNRKDBPKGTO-LBPRGKRZSA-N 0 1 237.299 2.336 20 0 BEADMN C[C@H]1CCC[C@H](CCNCc2cnn(C)n2)C1 ZINC000310240997 711758789 /nfs/dbraw/zinc/75/87/89/711758789.db2.gz IUNLNQZOJINLPD-NWDGAFQWSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1coc(CNCCO[C@@H]2CCCCO2)c1 ZINC000894795565 711772198 /nfs/dbraw/zinc/77/21/98/711772198.db2.gz VEVBBXQQDGBBCZ-CYBMUJFWSA-N 0 1 239.315 2.221 20 0 BEADMN Cc1coc(CNCCO[C@H]2CCCCO2)c1 ZINC000894795567 711772267 /nfs/dbraw/zinc/77/22/67/711772267.db2.gz VEVBBXQQDGBBCZ-ZDUSSCGKSA-N 0 1 239.315 2.221 20 0 BEADMN CCn1cc(CN2C[C@H](C)C[C@H](C)[C@H]2C)nn1 ZINC000899641749 711803417 /nfs/dbraw/zinc/80/34/17/711803417.db2.gz AXYNPZUYYHYMMN-GRYCIOLGSA-N 0 1 236.363 2.164 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000913354049 711821907 /nfs/dbraw/zinc/82/19/07/711821907.db2.gz YVKQFQOYLRIMEJ-JDGPPOGSSA-N 0 1 247.342 2.157 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-])C(C)(C)C ZINC000721242606 711824886 /nfs/dbraw/zinc/82/48/86/711824886.db2.gz MAOLTJCNSUFLFY-YFKTTZPYSA-N 0 1 239.359 2.321 20 0 BEADMN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032567614 711926028 /nfs/dbraw/zinc/92/60/28/711926028.db2.gz KXSFMJOKMPRXBZ-YDHLFZDLSA-N 0 1 248.370 2.036 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1cc(F)ccc1F ZINC000140512405 711956044 /nfs/dbraw/zinc/95/60/44/711956044.db2.gz OPTSSRDYUGOEFN-UHFFFAOYSA-N 0 1 236.221 2.468 20 0 BEADMN COc1cncc(CNCc2ccsc2)c1 ZINC000700039514 711983294 /nfs/dbraw/zinc/98/32/94/711983294.db2.gz HJYCSXJCJYHZPR-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COCc1ccc(CN[C@H]2C=CCC2)o1 ZINC000700563146 711995926 /nfs/dbraw/zinc/99/59/26/711995926.db2.gz UHEGHYHMJIEPBI-JTQLQIEISA-N 0 1 207.273 2.234 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000701475723 712024491 /nfs/dbraw/zinc/02/44/91/712024491.db2.gz BJXHDHZXFDJWAI-JSGCOSHPSA-N 0 1 237.343 2.363 20 0 BEADMN C[C@](O)(CN1CCC[C@H](F)C1)c1ccccc1 ZINC000701771434 712028762 /nfs/dbraw/zinc/02/87/62/712028762.db2.gz RJLWCTKXYFQPJD-KBPBESRZSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1nnc(CNC2(C)CC=CC2)s1 ZINC000702197668 712040956 /nfs/dbraw/zinc/04/09/56/712040956.db2.gz MLBSSWXIPAIUHD-UHFFFAOYSA-N 0 1 209.318 2.045 20 0 BEADMN CCc1nnc(CN[C@H](CC)CSC)s1 ZINC000702679417 712059411 /nfs/dbraw/zinc/05/94/11/712059411.db2.gz CEAFUMXWARPFQI-MRVPVSSYSA-N 0 1 245.417 2.332 20 0 BEADMN CCC(F)(F)CNC1CCC(C)(O)CC1 ZINC000703002143 712064074 /nfs/dbraw/zinc/06/40/74/712064074.db2.gz FAGVRDOQYJGCNO-UHFFFAOYSA-N 0 1 221.291 2.315 20 0 BEADMN CC[C@H](N[C@@H]1CNOC1)c1cccc(Cl)c1 ZINC000703331650 712070634 /nfs/dbraw/zinc/07/06/34/712070634.db2.gz AIQJVWWGBCQWET-NEPJUHHUSA-N 0 1 240.734 2.284 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1ccc2c(c1)CCCC2 ZINC000703372221 712073830 /nfs/dbraw/zinc/07/38/30/712073830.db2.gz HLGGDNNQFKCADG-XHDPSFHLSA-N 0 1 246.354 2.119 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1F ZINC000086807494 712080688 /nfs/dbraw/zinc/08/06/88/712080688.db2.gz NKELRCAHFSGAOE-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000703664511 712083210 /nfs/dbraw/zinc/08/32/10/712083210.db2.gz WHVHUJYHQKYMJR-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN C/C(=C/C[N@@H+]1CCCC[C@@H](C)C1)C(=O)[O-] ZINC000703659007 712083218 /nfs/dbraw/zinc/08/32/18/712083218.db2.gz OJLBHJYLIZHOBX-CHPNCVJKSA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)=CCNCc1c(Cl)c(C)nn1C ZINC000229128030 712091652 /nfs/dbraw/zinc/09/16/52/712091652.db2.gz RIQVZZCIPPXFOS-UHFFFAOYSA-N 0 1 227.739 2.438 20 0 BEADMN CCN(Cc1ccccc1)Cc1ccc(N)nn1 ZINC000703938596 712095846 /nfs/dbraw/zinc/09/58/46/712095846.db2.gz PJLFOGVCHBQZRK-UHFFFAOYSA-N 0 1 242.326 2.081 20 0 BEADMN CCC(F)(F)C[N@H+](CCC(=O)[O-])C(C)C ZINC000704737854 712114981 /nfs/dbraw/zinc/11/49/81/712114981.db2.gz JOUDIRIEUCGQSP-UHFFFAOYSA-N 0 1 223.263 2.217 20 0 BEADMN CCC(F)(F)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000704737854 712114982 /nfs/dbraw/zinc/11/49/82/712114982.db2.gz JOUDIRIEUCGQSP-UHFFFAOYSA-N 0 1 223.263 2.217 20 0 BEADMN CC(C)=CCC[N@@H+](CC(=O)[O-])CC(C)C ZINC000704925080 712120313 /nfs/dbraw/zinc/12/03/13/712120313.db2.gz ZDGAJIHXCURPRG-UHFFFAOYSA-N 0 1 213.321 2.385 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000705175016 712125770 /nfs/dbraw/zinc/12/57/70/712125770.db2.gz UJLNOVFNTIUJFG-MDZLAQPJSA-N 0 1 225.332 2.219 20 0 BEADMN Cn1c(Cl)cnc1CNCC1=CCCC1 ZINC000705362005 712130909 /nfs/dbraw/zinc/13/09/09/712130909.db2.gz FGRRPOVBZKJOHF-UHFFFAOYSA-N 0 1 225.723 2.273 20 0 BEADMN Cc1[nH+]c(N2[C@H](C)CC[C@H]2C)ccc1C(=O)[O-] ZINC000706229684 712142494 /nfs/dbraw/zinc/14/24/94/712142494.db2.gz BKRCGSZMHPGVJJ-RKDXNWHRSA-N 0 1 234.299 2.465 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000706313275 712143216 /nfs/dbraw/zinc/14/32/16/712143216.db2.gz RSQMVBVLIJNSQL-AOOOYVTPSA-N 0 1 234.299 2.153 20 0 BEADMN CSC1CC(NCc2csc(C)n2)C1 ZINC000706774198 712155492 /nfs/dbraw/zinc/15/54/92/712155492.db2.gz FIUCBETUTIEVMT-UHFFFAOYSA-N 0 1 228.386 2.435 20 0 BEADMN CC1=CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000706997079 712163920 /nfs/dbraw/zinc/16/39/20/712163920.db2.gz PYRPXCMTGNUZQR-UHFFFAOYSA-N 0 1 249.705 2.163 20 0 BEADMN CC[N@@H+](CCSC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000707900942 712172961 /nfs/dbraw/zinc/17/29/61/712172961.db2.gz ITWOBHAQEVXSTB-LURJTMIESA-N 0 1 245.266 2.034 20 0 BEADMN Cc1nonc1CN[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708840447 712200445 /nfs/dbraw/zinc/20/04/45/712200445.db2.gz JOESTFWEGAJIOE-WZRBSPASSA-N 0 1 235.331 2.436 20 0 BEADMN CC(C)[C@@H]1CN(C[C@H](O)c2ccccc2)CCO1 ZINC000708880260 712202620 /nfs/dbraw/zinc/20/26/20/712202620.db2.gz GOFVDOJBOKIQGW-GJZGRUSLSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1nc(CN[C@@H](C)Cc2ccco2)[nH]c1C ZINC000708962559 712204336 /nfs/dbraw/zinc/20/43/36/712204336.db2.gz XHYDVPBHDYPDLR-VIFPVBQESA-N 0 1 233.315 2.340 20 0 BEADMN C[C@@H](NCCc1ccns1)c1nccs1 ZINC000709774664 712222611 /nfs/dbraw/zinc/22/26/11/712222611.db2.gz FQQFATIRBMYOBI-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN C[C@H](NCCc1ccns1)c1nccs1 ZINC000709774665 712222945 /nfs/dbraw/zinc/22/29/45/712222945.db2.gz FQQFATIRBMYOBI-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN CC(C)N(CC=C(Cl)Cl)C[C@@H](C)O ZINC000709508217 712223332 /nfs/dbraw/zinc/22/33/32/712223332.db2.gz OMLDUAAQKWCIIJ-MRVPVSSYSA-N 0 1 226.147 2.397 20 0 BEADMN C[C@H]1C[C@@H](NCCc2ccns2)c2nccn21 ZINC000709897555 712231391 /nfs/dbraw/zinc/23/13/91/712231391.db2.gz WVVBFZOBRWJSMW-GXSJLCMTSA-N 0 1 248.355 2.178 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1cn(C)cn1 ZINC000709922511 712233380 /nfs/dbraw/zinc/23/33/80/712233380.db2.gz VNDDCJZJQDZVMC-GFCCVEGCSA-N 0 1 239.363 2.133 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1cn(C)cn1 ZINC000710006084 712239199 /nfs/dbraw/zinc/23/91/99/712239199.db2.gz UHVZBVZAQMSAPR-GFCCVEGCSA-N 0 1 245.326 2.150 20 0 BEADMN C[C@H]1CC[C@@H](NCc2noc3c2COCC3)C1 ZINC000923016886 712291910 /nfs/dbraw/zinc/29/19/10/712291910.db2.gz YNNLPCBQTBFTQI-VHSXEESVSA-N 0 1 236.315 2.026 20 0 BEADMN Cc1nc(CNC[C@H]2CCC3(CCC3)O2)[nH]c1C ZINC000711416791 712299190 /nfs/dbraw/zinc/29/91/90/712299190.db2.gz UFKSPIHXESCCKV-GFCCVEGCSA-N 0 1 249.358 2.218 20 0 BEADMN Cc1cc(CNC[C@@H]2CCC3(CCC3)O2)on1 ZINC000711463479 712304716 /nfs/dbraw/zinc/30/47/16/712304716.db2.gz QTMWYWWKHDYZSQ-NSHDSACASA-N 0 1 236.315 2.174 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CC[C@@H](CF)C1 ZINC000711476253 712305624 /nfs/dbraw/zinc/30/56/24/712305624.db2.gz MOXIZDKKVYKKOV-VIFPVBQESA-N 0 1 245.729 2.173 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1nccn1C ZINC000711488674 712306210 /nfs/dbraw/zinc/30/62/10/712306210.db2.gz QFGBQRICUZVOOT-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1nccn1C ZINC000711488675 712306461 /nfs/dbraw/zinc/30/64/61/712306461.db2.gz QFGBQRICUZVOOT-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1cnccn1 ZINC000711484524 712306517 /nfs/dbraw/zinc/30/65/17/712306517.db2.gz KUQNOSXKSRFLAL-NEPJUHHUSA-N 0 1 247.342 2.229 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1nccn1C1CC1)C1CC1 ZINC000711765612 712327339 /nfs/dbraw/zinc/32/73/39/712327339.db2.gz RMNPUYUHMSKFCV-YGRLFVJLSA-N 0 1 249.358 2.121 20 0 BEADMN C(c1nc([C@@H]2CCCN2)no1)[C@@H]1C[C@H]1C1CC1 ZINC000711966204 712339371 /nfs/dbraw/zinc/33/93/71/712339371.db2.gz BHDUMYQJRDQOKC-DCAQKATOSA-N 0 1 233.315 2.083 20 0 BEADMN C[C@H](C[C@H]1CCOC1)NCC(C)(F)F ZINC000378873547 712365521 /nfs/dbraw/zinc/36/55/21/712365521.db2.gz UOOFCPMJDJYGET-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN CCO[C@@H]1C[C@H](N[C@@H]2CCn3ccnc32)C1(C)C ZINC000379023943 712368479 /nfs/dbraw/zinc/36/84/79/712368479.db2.gz UIBBVZLBPYZNKF-GRYCIOLGSA-N 0 1 249.358 2.121 20 0 BEADMN c1cc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)no1 ZINC000712438744 712429872 /nfs/dbraw/zinc/42/98/72/712429872.db2.gz OGPUYLYINKSJIC-ZMLRMANQSA-N 0 1 206.289 2.343 20 0 BEADMN c1nc2c(ncnc2N[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC000712445303 712430650 /nfs/dbraw/zinc/43/06/50/712430650.db2.gz XRNQIZMQDSPQFM-LPEHRKFASA-N 0 1 243.314 2.344 20 0 BEADMN C[C@@H]1CCC(C)(C)C[C@H]1NCc1ncn(C)n1 ZINC000713026455 712451417 /nfs/dbraw/zinc/45/14/17/712451417.db2.gz LLEQHYPHNXNCFX-GHMZBOCLSA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1scnc1Cl ZINC000713467532 712461364 /nfs/dbraw/zinc/46/13/64/712461364.db2.gz HSADTTFYQXVIHF-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1scnc1Cl ZINC000713496882 712462952 /nfs/dbraw/zinc/46/29/52/712462952.db2.gz QUJMILJYTCKOMX-JGVFFNPUSA-N 0 1 246.763 2.046 20 0 BEADMN C=C/C=C/CC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000713717529 712469836 /nfs/dbraw/zinc/46/98/36/712469836.db2.gz PLWUQHIFWXPZPA-GKUNOOHESA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000713717530 712470164 /nfs/dbraw/zinc/47/01/64/712470164.db2.gz PLWUQHIFWXPZPA-JYYSYOFASA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CCN1CCCC[C@@H]1C(=O)OC ZINC000713746315 712471380 /nfs/dbraw/zinc/47/13/80/712471380.db2.gz MOAPLIBOXJKBJQ-ZYOFXKKJSA-N 0 1 223.316 2.146 20 0 BEADMN C=C/C=C\CCN(CC(=O)OC)C(C)C ZINC000713747019 712471420 /nfs/dbraw/zinc/47/14/20/712471420.db2.gz OIQAWVGUOFCUFJ-SREVYHEPSA-N 0 1 211.305 2.002 20 0 BEADMN C=C/C=C/CCNCc1nnc(C)s1 ZINC000713763754 712472096 /nfs/dbraw/zinc/47/20/96/712472096.db2.gz OOSXIJADKLNTGT-SNAWJCMRSA-N 0 1 209.318 2.068 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000713771371 712472535 /nfs/dbraw/zinc/47/25/35/712472535.db2.gz QUXUDIJFBSFYFL-UWVGGRQHSA-N 0 1 247.342 2.207 20 0 BEADMN Cc1ccc(CNC[C@H]2CCCC(C)(C)O2)nn1 ZINC000714368034 712483778 /nfs/dbraw/zinc/48/37/78/712483778.db2.gz ANGXWNBSQCFSNN-CYBMUJFWSA-N 0 1 249.358 2.222 20 0 BEADMN CCCn1cc(CN[C@@H]2CC23CCCC3)nn1 ZINC000714436151 712486785 /nfs/dbraw/zinc/48/67/85/712486785.db2.gz IQSBRIBTFLFQPG-GFCCVEGCSA-N 0 1 234.347 2.110 20 0 BEADMN CCCn1cc(CNC2C(C)(C)C2(C)C)nn1 ZINC000714512926 712493496 /nfs/dbraw/zinc/49/34/96/712493496.db2.gz GNGATFURHSNJOH-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN CCn1cc(CN[C@H]2CC23CCCCC3)nn1 ZINC000714907852 712499256 /nfs/dbraw/zinc/49/92/56/712499256.db2.gz ISMPZHNTPACNFA-LBPRGKRZSA-N 0 1 234.347 2.110 20 0 BEADMN COC(=O)c1ccc([C@@H](C)N(C)CCCF)o1 ZINC000714955992 712503637 /nfs/dbraw/zinc/50/36/37/712503637.db2.gz UWEYUCMMNUEBMZ-SECBINFHSA-N 0 1 243.278 2.419 20 0 BEADMN C[N@@H+](CCCF)Cc1ccccc1C(=O)[O-] ZINC000714955543 712503689 /nfs/dbraw/zinc/50/36/89/712503689.db2.gz RUSMUNYNVHCGTC-UHFFFAOYSA-N 0 1 225.263 2.176 20 0 BEADMN Cc1cc(CNC[C@@H]2CC[C@H](C3CC3)O2)on1 ZINC000715405044 712517240 /nfs/dbraw/zinc/51/72/40/712517240.db2.gz UEBZQAUDVMDUKB-WCQYABFASA-N 0 1 236.315 2.030 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715440379 712518920 /nfs/dbraw/zinc/51/89/20/712518920.db2.gz LWKYBKHMBYWOCK-AGIUHOORSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715442149 712519264 /nfs/dbraw/zinc/51/92/64/712519264.db2.gz XBXGUUMWHFJUPA-JHEVNIALSA-N 0 1 237.343 2.218 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715445895 712519435 /nfs/dbraw/zinc/51/94/35/712519435.db2.gz HQAFDUGKZFWSQW-MBNYWOFBSA-N 0 1 237.343 2.219 20 0 BEADMN Cc1ncc(CNC[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000715391795 712522329 /nfs/dbraw/zinc/52/23/29/712522329.db2.gz WSXXJLFGBPHUBM-DGCLKSJQSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1cn(C)cn1 ZINC000715533828 712525914 /nfs/dbraw/zinc/52/59/14/712525914.db2.gz NNPBLIJHNHYTFI-VHRBIJSZSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1[nH+]c(N[C@@H]2CC23CC3)ccc1C(=O)[O-] ZINC000715674224 712530288 /nfs/dbraw/zinc/53/02/88/712530288.db2.gz HTODYBDCOGHCMD-SECBINFHSA-N 0 1 218.256 2.053 20 0 BEADMN CCCn1cc([C@@H](C)NCC[C@H](C)F)nn1 ZINC000715881292 712539280 /nfs/dbraw/zinc/53/92/80/712539280.db2.gz JDGYJICWXQCLCR-VHSXEESVSA-N 0 1 228.315 2.087 20 0 BEADMN CCCn1cc([C@@H](C)N[C@@H](C)CSC)nn1 ZINC000715898266 712541432 /nfs/dbraw/zinc/54/14/32/712541432.db2.gz UNKMJPPCWVQRGH-VHSXEESVSA-N 0 1 242.392 2.090 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2cccs2)n[nH]1 ZINC000716238016 712553481 /nfs/dbraw/zinc/55/34/81/712553481.db2.gz KXPHHBGHUMISSF-SNAWJCMRSA-N 0 1 247.323 2.109 20 0 BEADMN c1nc2c(ncnc2NCCCCC2CC2)[nH]1 ZINC000716350914 712555698 /nfs/dbraw/zinc/55/56/98/712555698.db2.gz NFCDSWXUTBGPGX-UHFFFAOYSA-N 0 1 231.303 2.297 20 0 BEADMN Clc1ccc(CNCC2OCCCO2)cc1 ZINC000716404053 712558907 /nfs/dbraw/zinc/55/89/07/712558907.db2.gz DQXKLZLTCBEARZ-UHFFFAOYSA-N 0 1 241.718 2.193 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)o1 ZINC000716655661 712569236 /nfs/dbraw/zinc/56/92/36/712569236.db2.gz CNQDJLCTBPIHSK-VGDYDELISA-N 0 1 220.316 2.365 20 0 BEADMN CC1=C(C)CN(CN2C[C@H]3CCC[C@H]3C2=O)CC1 ZINC000840060148 712582751 /nfs/dbraw/zinc/58/27/51/712582751.db2.gz LKADYVNUBGKFGW-ZIAGYGMSSA-N 0 1 248.370 2.245 20 0 BEADMN Cn1cnnc1[C@@H]1CCCN1CCCC1CC1 ZINC000813335841 712587773 /nfs/dbraw/zinc/58/77/73/712587773.db2.gz IYZUJWUKWSRSPV-LBPRGKRZSA-N 0 1 234.347 2.142 20 0 BEADMN COC(=O)/C=C/c1ccc(CN[C@H]2C=CCC2)o1 ZINC000826942296 712592968 /nfs/dbraw/zinc/59/29/68/712592968.db2.gz OPXSRAJCRGAOCT-FBOQAHMBSA-N 0 1 247.294 2.274 20 0 BEADMN c1nc2c(ncnc2NCC[C@@H]2CC[C@@H]3C[C@@H]32)[nH]1 ZINC000717127412 712634147 /nfs/dbraw/zinc/63/41/47/712634147.db2.gz ZJMGTCBRANBKMS-IVZWLZJFSA-N 0 1 243.314 2.153 20 0 BEADMN c1nc(CNCC[C@@H]2CC[C@H]3C[C@H]32)co1 ZINC000717154750 712638083 /nfs/dbraw/zinc/63/80/83/712638083.db2.gz ACSLBJLJDIGRER-NHCYSSNCSA-N 0 1 206.289 2.200 20 0 BEADMN OC[C@@H](NCc1scnc1Cl)C1CCC1 ZINC000717579495 712661482 /nfs/dbraw/zinc/66/14/82/712661482.db2.gz RXBXBWMHSIEOKS-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CC1(C)CO[C@@H](CNCc2nccn2C2CC2)C1 ZINC000717610344 712662494 /nfs/dbraw/zinc/66/24/94/712662494.db2.gz SYMDNIVCXFEZII-GFCCVEGCSA-N 0 1 249.358 2.123 20 0 BEADMN c1cc2ncnc(NC[C@@H]3CCC=CO3)c2s1 ZINC000380011365 712669909 /nfs/dbraw/zinc/66/99/09/712669909.db2.gz HQKSTYPYVBRCQQ-VIFPVBQESA-N 0 1 247.323 2.218 20 0 BEADMN CCS[C@H]1CCC[C@@H]1NCc1nncs1 ZINC000930443328 712712562 /nfs/dbraw/zinc/71/25/62/712712562.db2.gz RMXRIUBSUFMKAD-IUCAKERBSA-N 0 1 243.401 2.302 20 0 BEADMN c1cc2n(c1)CCN(CCC1CCOCC1)C2 ZINC000932523923 712717706 /nfs/dbraw/zinc/71/77/06/712717706.db2.gz FLIAMPYYKNOIIU-UHFFFAOYSA-N 0 1 234.343 2.120 20 0 BEADMN Clc1ccsc1CN[C@]12C[C@H]1COC2 ZINC000718077665 712741381 /nfs/dbraw/zinc/74/13/81/712741381.db2.gz CZARUNYSLHDIMR-XVKPBYJWSA-N 0 1 229.732 2.280 20 0 BEADMN CCCCNCc1n[nH]cc1Br ZINC000718125341 712745937 /nfs/dbraw/zinc/74/59/37/712745937.db2.gz UETDGERVQZQZKL-UHFFFAOYSA-N 0 1 232.125 2.062 20 0 BEADMN Cc1coc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000718417618 712760092 /nfs/dbraw/zinc/76/00/92/712760092.db2.gz UJNGRWKQRRNTLL-QMMMGPOBSA-N 0 1 219.244 2.063 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1C(=O)[O-] ZINC000718629886 712773837 /nfs/dbraw/zinc/77/38/37/712773837.db2.gz LZZPBVLJWLLLKV-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN CO[C@H]1CCC[C@H](NCC(F)F)CC1 ZINC000718815767 712784259 /nfs/dbraw/zinc/78/42/59/712784259.db2.gz VCSCCGGBOGGLIA-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCC=CCCC1)c1nnc[nH]1 ZINC000719031588 712794248 /nfs/dbraw/zinc/79/42/48/712794248.db2.gz SDMGNWUEYQIZHQ-MNOVXSKESA-N 0 1 248.330 2.118 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCC=CCCC2)n[nH]1 ZINC000719048645 712794575 /nfs/dbraw/zinc/79/45/75/712794575.db2.gz PFEUGMQEFQLWJV-LBPRGKRZSA-N 0 1 247.342 2.471 20 0 BEADMN C[C@@H]1[C@@H](Nc2ncccc2Cl)CCN1C ZINC000719570527 712811027 /nfs/dbraw/zinc/81/10/27/712811027.db2.gz OQOKXUNLWUAKQU-SCZZXKLOSA-N 0 1 225.723 2.240 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(F)c2N)CCO1 ZINC000719752927 712822510 /nfs/dbraw/zinc/82/25/10/712822510.db2.gz BBXGWBLBKOIDAB-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nccn1C1CC1 ZINC000720138396 712827881 /nfs/dbraw/zinc/82/78/81/712827881.db2.gz IMRZRXBSGGTRCT-JTQLQIEISA-N 0 1 237.347 2.121 20 0 BEADMN Cc1cc(CN[C@@]23C[C@@H]2CCCC3)no1 ZINC000720358143 712833944 /nfs/dbraw/zinc/83/39/44/712833944.db2.gz VGJGVJISRYPFSS-JQWIXIFHSA-N 0 1 206.289 2.405 20 0 BEADMN Cc1conc1CN1CCCC[C@@H]1C[C@H](C)O ZINC000720363005 712835482 /nfs/dbraw/zinc/83/54/82/712835482.db2.gz JDVPTXVBFGFZNK-NWDGAFQWSA-N 0 1 238.331 2.108 20 0 BEADMN CCSC1(CNCc2cc(C)on2)CC1 ZINC000720379672 712837361 /nfs/dbraw/zinc/83/73/61/712837361.db2.gz NXIAMVVDXRKCSD-UHFFFAOYSA-N 0 1 226.345 2.358 20 0 BEADMN CCN(CC)C(=O)CNC/C=C\c1ccccc1 ZINC000380274093 712857034 /nfs/dbraw/zinc/85/70/34/712857034.db2.gz QJEZPVCTERMSDA-FLIBITNWSA-N 0 1 246.354 2.158 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cn(C)cn1 ZINC000720889909 712874130 /nfs/dbraw/zinc/87/41/30/712874130.db2.gz AYVJJEHTMMBENG-OPDFLTKYSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cn(C)cn1 ZINC000720889906 712874256 /nfs/dbraw/zinc/87/42/56/712874256.db2.gz AYVJJEHTMMBENG-MNXVOIDGSA-N 0 1 249.358 2.028 20 0 BEADMN N#Cc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1F ZINC000380349647 712891387 /nfs/dbraw/zinc/89/13/87/712891387.db2.gz MMFSQVHHBPGSDO-TXEJJXNPSA-N 0 1 216.259 2.149 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC000721162791 712893696 /nfs/dbraw/zinc/89/36/96/712893696.db2.gz XAIUIJVALFPRFS-FRRDWIJNSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)C1(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])CC1 ZINC000721171426 712894748 /nfs/dbraw/zinc/89/47/48/712894748.db2.gz OBYZKHQPAIGQNR-TUAOUCFPSA-N 0 1 237.343 2.075 20 0 BEADMN CC(=O)NC[C@@H]1CCN1Cc1ccc(C)c(C)c1 ZINC001037984702 712895268 /nfs/dbraw/zinc/89/52/68/712895268.db2.gz GOCADXRBCLRDNL-HNNXBMFYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1nc(CN2CCCC[C@@](C)(O)C2)cs1 ZINC001206799896 957185074 /nfs/dbraw/zinc/18/50/74/957185074.db2.gz SWEIETWAZGTTAS-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1nc(CN2CC[C@H](C)[C@@H](O)CC2)cs1 ZINC001206799152 957175571 /nfs/dbraw/zinc/17/55/71/957175571.db2.gz OXRRQTNIVITMBT-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(F)cnc1N1C[C@H](C)N(C)C[C@@H]1C ZINC001164636554 719169543 /nfs/dbraw/zinc/16/95/43/719169543.db2.gz MOJFLKKCDHHPOE-QWRGUYRKSA-N 0 1 237.322 2.058 20 0 BEADMN Cc1ccc(F)c(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001164633547 719172010 /nfs/dbraw/zinc/17/20/10/719172010.db2.gz HLSFYJWTDBFBHE-GHMZBOCLSA-N 0 1 237.322 2.058 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+](C)CC1CCCC1 ZINC000082604873 957797675 /nfs/dbraw/zinc/79/76/75/957797675.db2.gz RRFMGIKGVDFCSM-JXMROGBWSA-N 0 1 211.305 2.139 20 0 BEADMN CN(CCC(F)(F)F)c1cc(C(=O)[O-])cc[nH+]1 ZINC000088431993 958056994 /nfs/dbraw/zinc/05/69/94/958056994.db2.gz PDWSEVJMBONUGC-UHFFFAOYSA-N 0 1 248.204 2.168 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)CC(C)(C)C ZINC000094762614 958309484 /nfs/dbraw/zinc/30/94/84/958309484.db2.gz OFVXKMMIGAYVPK-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403322089 958473150 /nfs/dbraw/zinc/47/31/50/958473150.db2.gz LZAJJORNJIVQDH-SSDOTTSWSA-N 0 1 238.114 2.102 20 0 BEADMN CCC[C@H](N)c1cc([C@@H]2CCCO2)no1 ZINC000694880014 960021954 /nfs/dbraw/zinc/02/19/54/960021954.db2.gz KPHDXTFYAXGMCT-WPRPVWTQSA-N 0 1 210.277 2.326 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000695574046 960289604 /nfs/dbraw/zinc/28/96/04/960289604.db2.gz HYBLFLRXGYHSNK-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN COC(CN[C@H](C)c1cc(C)oc1C)OC ZINC000037473081 960353795 /nfs/dbraw/zinc/35/37/95/960353795.db2.gz KREJURJERMLOIS-SECBINFHSA-N 0 1 227.304 2.166 20 0 BEADMN CC1(F)CN(Cc2c[nH]c3ccncc23)C1 ZINC001140802362 960593986 /nfs/dbraw/zinc/59/39/86/960593986.db2.gz TVEHWEDGYMEQEL-UHFFFAOYSA-N 0 1 219.263 2.107 20 0 BEADMN CC(=O)[C@@H]1CC[N@@H+](Cc2[nH]cc(C)c2C)C1 ZINC001140861810 960638216 /nfs/dbraw/zinc/63/82/16/960638216.db2.gz OODULUCGCMGXGT-GFCCVEGCSA-N 0 1 220.316 2.042 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)(F)F)C2)n[nH]1 ZINC001203077060 960686019 /nfs/dbraw/zinc/68/60/19/960686019.db2.gz QCQIKOCTKUJPAU-QMMMGPOBSA-N 0 1 233.237 2.102 20 0 BEADMN CCCCC1CCN(Cc2c[nH]nn2)CC1 ZINC001203199377 962235076 /nfs/dbraw/zinc/23/50/76/962235076.db2.gz GZGCWAMQIMXNSG-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN CCCCN1CC(N(C)C(=O)/C=C(\C)CC)C1 ZINC001269787727 962794220 /nfs/dbraw/zinc/79/42/20/962794220.db2.gz ROIZVKWLCYLXGF-FMIVXFBMSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300143624 962984610 /nfs/dbraw/zinc/98/46/10/962984610.db2.gz RNARHZOZISPRGG-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CC1(C(=O)[O-])C[NH+](Cc2ccc(Cl)s2)C1 ZINC000307476153 963217090 /nfs/dbraw/zinc/21/70/90/963217090.db2.gz UNSWCIJCVGBMPZ-UHFFFAOYSA-N 0 1 245.731 2.308 20 0 BEADMN CC1CN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001156295560 963307855 /nfs/dbraw/zinc/30/78/55/963307855.db2.gz RWOHCUMMNNZQAX-UHFFFAOYSA-N 0 1 225.675 2.138 20 0 BEADMN CC[N@@H+](CC1(C)CCC1)C(C)(C)C(=O)[O-] ZINC000308979817 963320166 /nfs/dbraw/zinc/32/01/66/963320166.db2.gz JTOGTZGTGGFABZ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CN[C@H]1CCN1C(C)(C)c1ccnc(Cl)c1 ZINC001156660148 963430530 /nfs/dbraw/zinc/43/05/30/963430530.db2.gz MJBGKZJUBRUCIR-LLVKDONJSA-N 0 1 239.750 2.221 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686480 963553014 /nfs/dbraw/zinc/55/30/14/963553014.db2.gz QLFPEUFPJMBDCA-HTQZYQBOSA-N 0 1 238.287 2.026 20 0 BEADMN CC(C)N1CCN(C2CCC(C)CC2)CC1=O ZINC001168221611 963995427 /nfs/dbraw/zinc/99/54/27/963995427.db2.gz HLPHHEKYBGTKMV-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(NCC(F)(F)F)nc2[nH]cnc21 ZINC001161625421 964650817 /nfs/dbraw/zinc/65/08/17/964650817.db2.gz KAYOHPXRJKVERL-UHFFFAOYSA-N 0 1 230.193 2.241 20 0 BEADMN FC1CC(Nc2cccn3cncc23)C1 ZINC001162214404 964876451 /nfs/dbraw/zinc/87/64/51/964876451.db2.gz OGBATMJEOGSOHW-UHFFFAOYSA-N 0 1 205.236 2.247 20 0 BEADMN Cc1ncc(N(C)c2cc(N)ccn2)s1 ZINC001212133298 964943090 /nfs/dbraw/zinc/94/30/90/964943090.db2.gz VUAKHDJRPHQGCR-UHFFFAOYSA-N 0 1 220.301 2.197 20 0 BEADMN Cc1cnc(N2CCCO[C@H](C)C2)cc1C ZINC001163965932 965666646 /nfs/dbraw/zinc/66/66/46/965666646.db2.gz JDMGSNAQJDTLDH-GFCCVEGCSA-N 0 1 220.316 2.314 20 0 BEADMN CCc1nc(CN[C@@H]2COC[C@H]2CC)cs1 ZINC000699555730 965972149 /nfs/dbraw/zinc/97/21/49/965972149.db2.gz CSEPTHADWGPLAC-MWLCHTKSSA-N 0 1 240.372 2.220 20 0 BEADMN CCn1ccc(CN[C@]2(C)CC2(C)C)n1 ZINC001203208376 966553853 /nfs/dbraw/zinc/55/38/53/966553853.db2.gz RJFROWCWMXSVHF-GFCCVEGCSA-N 0 1 207.321 2.181 20 0 BEADMN CC(C)C[C@@H](CCO)CNCc1cscn1 ZINC000165069612 1165770388 /nfs/dbraw/zinc/77/03/88/1165770388.db2.gz PNJOZLJQBWOODL-LLVKDONJSA-N 0 1 242.388 2.277 20 0 BEADMN CCn1ccc(CNCCc2ccc(C)o2)n1 ZINC001648789733 1165775609 /nfs/dbraw/zinc/77/56/09/1165775609.db2.gz OLYMAVOJUGHKDK-UHFFFAOYSA-N 0 1 233.315 2.137 20 0 BEADMN Cc1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC000041045251 1165777919 /nfs/dbraw/zinc/77/79/19/1165777919.db2.gz KOUOFZGCRWZEDH-SECBINFHSA-N 0 1 202.257 2.375 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)C2CCC2)[nH]1 ZINC000075133475 1165782103 /nfs/dbraw/zinc/78/21/03/1165782103.db2.gz HVIOADGPBYKRAZ-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN CCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1 ZINC001699609877 1165787535 /nfs/dbraw/zinc/78/75/35/1165787535.db2.gz LDHRQAHBUYJKCL-TZMCWYRMSA-N 0 1 246.354 2.348 20 0 BEADMN COC(=O)CC1CN(Cc2sccc2C)C1 ZINC001204021735 966857919 /nfs/dbraw/zinc/85/79/19/966857919.db2.gz NNLOAUPQOQXADJ-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN CCCCCCOC(=O)N1CCNCC12CC2 ZINC001239329918 966859921 /nfs/dbraw/zinc/85/99/21/966859921.db2.gz IAHOCIDTSNJXSF-UHFFFAOYSA-N 0 1 240.347 2.141 20 0 BEADMN Cc1csc(CN2CC[C@@H](O)[C@@H](C)CC2)n1 ZINC001204374715 966988440 /nfs/dbraw/zinc/98/84/40/966988440.db2.gz PEVSZPAPDOLGOE-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN CO[C@H](C)C1CN(Cc2cc(C)c(C)o2)C1 ZINC001204539956 967041361 /nfs/dbraw/zinc/04/13/61/967041361.db2.gz UQWOVHKTTDWFFI-LLVKDONJSA-N 0 1 223.316 2.363 20 0 BEADMN Cc1cc(C)nc(N2C[C@H]3OC[C@@H](C)[C@H]3C2)c1 ZINC001167172849 1165832253 /nfs/dbraw/zinc/83/22/53/1165832253.db2.gz FVKVZQVRHHCXLC-RAIGVLPGSA-N 0 1 232.327 2.170 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000309128473 967935206 /nfs/dbraw/zinc/93/52/06/967935206.db2.gz BTDINUOPDMUZCQ-SRVKXCTJSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC2CC2)C[C@H]1C(=O)[O-] ZINC000693442841 967989411 /nfs/dbraw/zinc/98/94/11/967989411.db2.gz BDGUBDOQTSAHGV-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN CN(Cc1cccs1)Cc1cccc(N)n1 ZINC000086115419 1165924926 /nfs/dbraw/zinc/92/49/26/1165924926.db2.gz GLZUWCBOTXAHNI-UHFFFAOYSA-N 0 1 233.340 2.357 20 0 BEADMN CCC1CCN(Cc2cnc(OC)nc2)CC1 ZINC001206381328 968267980 /nfs/dbraw/zinc/26/79/80/968267980.db2.gz JLEOCYKBJUHYDD-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@H](O)CNc1ccc2[nH]nc(C)c2c1 ZINC001251787692 968329994 /nfs/dbraw/zinc/32/99/94/968329994.db2.gz FCRMMHUQUGMXJU-SNVBAGLBSA-N 0 1 219.288 2.054 20 0 BEADMN OC[C@H](NCc1cscn1)C1CCCCC1 ZINC000072927538 1165981367 /nfs/dbraw/zinc/98/13/67/1165981367.db2.gz FOVIKGLPLCQRRA-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN Cn1cnc(-c2cc(F)c(O)cc2F)c1 ZINC001206775854 968465688 /nfs/dbraw/zinc/46/56/88/968465688.db2.gz OHJFCOIBMORZIW-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN CCCC[C@H](O)CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001252083783 968504801 /nfs/dbraw/zinc/50/48/01/968504801.db2.gz SXOHEYHMXRXLIF-SDDRHHMPSA-N 0 1 235.318 2.310 20 0 BEADMN CC(C)c1nc(CNCC[C@H](C)O)cs1 ZINC000164071321 968507766 /nfs/dbraw/zinc/50/77/66/968507766.db2.gz JMKLRYJLGHAOGX-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN Fc1cncc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001207024110 968557561 /nfs/dbraw/zinc/55/75/61/968557561.db2.gz ZRCKEQZLONNJQY-DLOVCJGASA-N 0 1 224.254 2.153 20 0 BEADMN CC(C)c1cc(NC(=O)CN(C)C(C)C)no1 ZINC000081076470 1166026921 /nfs/dbraw/zinc/02/69/21/1166026921.db2.gz NBOSXMDNDNYMIU-UHFFFAOYSA-N 0 1 239.319 2.077 20 0 BEADMN FC1(F)CCC(CN2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001207348009 968728386 /nfs/dbraw/zinc/72/83/86/968728386.db2.gz OJFMAXPSBJQICH-PHIMTYICSA-N 0 1 231.286 2.285 20 0 BEADMN COC1CN(CCCCc2ccccc2)C1 ZINC001207608093 968830881 /nfs/dbraw/zinc/83/08/81/968830881.db2.gz FCZHWJUYUCFHNY-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN c1cc2c(o1)CCN(C[C@H]1CCCCO1)C2 ZINC001207959475 968954845 /nfs/dbraw/zinc/95/48/45/968954845.db2.gz KRIRUKQUZIQKMX-GFCCVEGCSA-N 0 1 221.300 2.207 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)c1ccccc1 ZINC000129352904 1166174598 /nfs/dbraw/zinc/17/45/98/1166174598.db2.gz ZSUIQWIJVNAZTH-BZPMIXESSA-N 0 1 246.354 2.476 20 0 BEADMN Cc1ncc(CN(C)C)cc1Br ZINC000215506775 1166191646 /nfs/dbraw/zinc/19/16/46/1166191646.db2.gz ZRMGZINUBJHAMT-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN CS[C@@H](C)CCN1CC2(C1)CCCCO2 ZINC001208137294 969048360 /nfs/dbraw/zinc/04/83/60/969048360.db2.gz DMZHUBXVJXXXGK-NSHDSACASA-N 0 1 229.389 2.383 20 0 BEADMN CCCCC[C@H](O)CN1CCC(=O)C(C)(C)C1 ZINC001253537454 969213582 /nfs/dbraw/zinc/21/35/82/969213582.db2.gz YHIQVVWBNPHKRF-LBPRGKRZSA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@H](O)CN1CCOC[C@H]1CC ZINC001253536655 969212855 /nfs/dbraw/zinc/21/28/55/969212855.db2.gz UAJKMSFHYBMDBH-OLZOCXBDSA-N 0 1 229.364 2.038 20 0 BEADMN F[C@@H]1CSC2(CN(C[C@@H]3CCC=CO3)C2)C1 ZINC001208882109 969273038 /nfs/dbraw/zinc/27/30/38/969273038.db2.gz IDEORFFAVMOAPX-QWRGUYRKSA-N 0 1 243.347 2.209 20 0 BEADMN CCC[C@H](C)CC(=O)NCC1(NCCF)CC1 ZINC001670755650 1166331986 /nfs/dbraw/zinc/33/19/86/1166331986.db2.gz PCBZZFNAMGPKEX-NSHDSACASA-N 0 1 244.354 2.021 20 0 BEADMN CCOC(C)(C)CN1CCc2ncsc2C1 ZINC001209077216 969349548 /nfs/dbraw/zinc/34/95/48/969349548.db2.gz HLRGYCRSDZMAFX-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CC(C)c1cc(CN[C@H]2CCSC2)on1 ZINC000167734759 1166399324 /nfs/dbraw/zinc/39/93/24/1166399324.db2.gz UWPFKVQMOKWKAA-VIFPVBQESA-N 0 1 226.345 2.393 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000250705952 1166426037 /nfs/dbraw/zinc/42/60/37/1166426037.db2.gz WHKCUVHPBNQLMV-SDDRHHMPSA-N 0 1 227.348 2.306 20 0 BEADMN CO[C@H]1CN(C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218580 969540789 /nfs/dbraw/zinc/54/07/89/969540789.db2.gz LZVLXSKCPURFHG-UWVGGRQHSA-N 0 1 237.265 2.233 20 0 BEADMN Fc1cnc(CNC2CCC(F)(F)CC2)nc1 ZINC001254208102 969538917 /nfs/dbraw/zinc/53/89/17/969538917.db2.gz SKJMATYHHHBQPP-UHFFFAOYSA-N 0 1 245.248 2.283 20 0 BEADMN FC1(F)CCC(N2CCOCC23CC3)CC1 ZINC001254226244 969549764 /nfs/dbraw/zinc/54/97/64/969549764.db2.gz XQGQICKCHIEZDS-UHFFFAOYSA-N 0 1 231.286 2.429 20 0 BEADMN Clc1csc(NCCN2CC=CCC2)n1 ZINC000306742835 1166449186 /nfs/dbraw/zinc/44/91/86/1166449186.db2.gz GIWHWIUCHUMQKF-UHFFFAOYSA-N 0 1 243.763 2.470 20 0 BEADMN c1csc(CN[C@@H]2COc3ccccc3C2)n1 ZINC000328110910 1166455634 /nfs/dbraw/zinc/45/56/34/1166455634.db2.gz JAOWRATXMCIFCC-NSHDSACASA-N 0 1 246.335 2.236 20 0 BEADMN COC(=O)CCc1cc(F)c(O)c(Cl)c1 ZINC000261035986 1166493174 /nfs/dbraw/zinc/49/31/74/1166493174.db2.gz GUXCVGYTVZUWEH-UHFFFAOYSA-N 0 1 232.638 2.290 20 0 BEADMN Cc1cc(N)ncc1Nc1cnncc1Cl ZINC001209965552 969727888 /nfs/dbraw/zinc/72/78/88/969727888.db2.gz VJEPMESTWJGBPN-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN CC[C@@H](C)N[C@@H]1c2cc(C)ccc2NC1=O ZINC000100772741 1166513614 /nfs/dbraw/zinc/51/36/14/1166513614.db2.gz QLQCYPINHQZFQA-BXKDBHETSA-N 0 1 218.300 2.376 20 0 BEADMN Cc1nn(C)c(Cl)c1CNC/C=C\C1CC1 ZINC000378673568 1166550097 /nfs/dbraw/zinc/55/00/97/1166550097.db2.gz MONVDOROIFJOKV-ARJAWSKDSA-N 0 1 239.750 2.438 20 0 BEADMN C[C@@H](O)c1ccc(Nc2cncn2C)cc1 ZINC001210642820 969989960 /nfs/dbraw/zinc/98/99/60/969989960.db2.gz VOESVMRMENCMLX-SECBINFHSA-N 0 1 217.272 2.217 20 0 BEADMN C[C@]1(F)CCN([C@H]2CCSC2)C[C@@H]1F ZINC001255281880 970040098 /nfs/dbraw/zinc/04/00/98/970040098.db2.gz GSJSETCUKPXGEZ-GUBZILKMSA-N 0 1 221.316 2.264 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)OC(C)C ZINC000107947218 1166581239 /nfs/dbraw/zinc/58/12/39/1166581239.db2.gz ZJDWMIZVERTFRB-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN FC(F)c1cccc(NC[C@@H]2COCCN2)c1 ZINC001170044624 970068012 /nfs/dbraw/zinc/06/80/12/970068012.db2.gz NITRFNXFBVBTRL-LLVKDONJSA-N 0 1 242.269 2.025 20 0 BEADMN CCN1CCN(C2CCC(C)(C)CC2)CC1=O ZINC001255308166 970074761 /nfs/dbraw/zinc/07/47/61/970074761.db2.gz LAKWBTFRZNCMHR-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@H](C)N1CCN(C(=O)C2CC2)CC1 ZINC001255327993 970108986 /nfs/dbraw/zinc/10/89/86/970108986.db2.gz FCIPPCGWXNTULG-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(CCCC)CC1 ZINC001112664956 970136489 /nfs/dbraw/zinc/13/64/89/970136489.db2.gz VRNGCFQSZGVWHA-QPEQYQDCSA-N 0 1 238.375 2.287 20 0 BEADMN CC(C)CCC[C@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001170078539 970182947 /nfs/dbraw/zinc/18/29/47/970182947.db2.gz UEMWAODVEGHJNN-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC(=O)c1nc2ccc(SC)cc2[nH]1 ZINC000396058598 1166648485 /nfs/dbraw/zinc/64/84/85/1166648485.db2.gz XBEPVLCZUUJFNT-UHFFFAOYSA-N 0 1 236.296 2.462 20 0 BEADMN CC(C)CCC[C@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001170087867 970220200 /nfs/dbraw/zinc/22/02/00/970220200.db2.gz MPEGSAYRWMVSTP-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN Clc1nc2[nH]cnc2c(NCC=CC2CC2)n1 ZINC000379153100 1166665518 /nfs/dbraw/zinc/66/55/18/1166665518.db2.gz CXLNSKHTCRPYLK-OWOJBTEDSA-N 0 1 249.705 2.336 20 0 BEADMN Clc1nc2[nH]cnc2c(NCC=CC2CC2)n1 ZINC000379153101 1166665741 /nfs/dbraw/zinc/66/57/41/1166665741.db2.gz CXLNSKHTCRPYLK-UPHRSURJSA-N 0 1 249.705 2.336 20 0 BEADMN CCCNCc1nc(-c2cnc(C)cc2C)no1 ZINC000397397127 1166684319 /nfs/dbraw/zinc/68/43/19/1166684319.db2.gz CZWBZEZYKDAVLD-UHFFFAOYSA-N 0 1 246.314 2.248 20 0 BEADMN CCCCOC1CN([C@@H]2CCOC(C)(C)C2)C1 ZINC001255549950 970325562 /nfs/dbraw/zinc/32/55/62/970325562.db2.gz QBACFPVLPUVVRC-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN COC[C@H](C)NCc1ccc(C(F)(F)F)o1 ZINC001255567523 970358215 /nfs/dbraw/zinc/35/82/15/970358215.db2.gz WPNDPDYNOSNLRU-ZETCQYMHSA-N 0 1 237.221 2.423 20 0 BEADMN C[C@@H](CC(F)(F)F)NC[C@@H](F)C(C)(C)O ZINC001255644887 970419904 /nfs/dbraw/zinc/41/99/04/970419904.db2.gz WDCAMRVQLLQTNN-NKWVEPMBSA-N 0 1 231.233 2.026 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CC2(C1)CCCOC2 ZINC001255653795 970432461 /nfs/dbraw/zinc/43/24/61/970432461.db2.gz WEMIWXUDHSWXQS-VIFPVBQESA-N 0 1 237.265 2.440 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC=CC1 ZINC000379943818 1166816547 /nfs/dbraw/zinc/81/65/47/1166816547.db2.gz PXSJOECJIYEDPM-UHFFFAOYSA-N 0 1 223.659 2.058 20 0 BEADMN CC[C@@H]1C[C@H](N(C)Cc2ccon2)CCO1 ZINC001170233986 970610817 /nfs/dbraw/zinc/61/08/17/970610817.db2.gz HQNICSWIIGYUCS-VXGBXAGGSA-N 0 1 224.304 2.064 20 0 BEADMN CC(C)Cc1cc(=O)n(-c2cccnc2)[nH]1 ZINC000304254744 1166907033 /nfs/dbraw/zinc/90/70/33/1166907033.db2.gz RVAWHTGGXMRQFI-UHFFFAOYSA-N 0 1 217.272 2.171 20 0 BEADMN CC[C@H](F)CN(C)C[C@H](C)NC(=O)CC(C)C ZINC001268719632 1166982114 /nfs/dbraw/zinc/98/21/14/1166982114.db2.gz MAWYLMGFSMPXIL-RYUDHWBXSA-N 0 1 246.370 2.217 20 0 BEADMN CCc1onc(C)c1NCc1cc(C)[nH]n1 ZINC001332335187 975060355 /nfs/dbraw/zinc/06/03/55/975060355.db2.gz KPHWNQATMFSBHA-UHFFFAOYSA-N 0 1 220.276 2.189 20 0 BEADMN CC[C@H]1CC[C@@H](N2Cc3cncnc3C2)C1 ZINC001173275853 975081379 /nfs/dbraw/zinc/08/13/79/975081379.db2.gz WHWAHXJQBGWNRD-CMPLNLGQSA-N 0 1 217.316 2.371 20 0 BEADMN CCSC[C@@H](C)NC1(c2cnccn2)CC1 ZINC001173300092 975192411 /nfs/dbraw/zinc/19/24/11/975192411.db2.gz YGWXOIFGUHREHU-SNVBAGLBSA-N 0 1 237.372 2.197 20 0 BEADMN COC1CCC(N[C@H](C)c2csnn2)CC1 ZINC000398271146 1167049528 /nfs/dbraw/zinc/04/95/28/1167049528.db2.gz BCYFJMWQDSFTHA-XNWIYYODSA-N 0 1 241.360 2.146 20 0 BEADMN CC[C@H]1CC[C@@H](N(CC)CC(=O)OC)C1 ZINC001173284583 975243252 /nfs/dbraw/zinc/24/32/52/975243252.db2.gz QSCQUWCDVDCOSD-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cc(-c2ncnc3c2CNC3)ccc1F ZINC000211468650 1167093143 /nfs/dbraw/zinc/09/31/43/1167093143.db2.gz VNUAUSPEOZHWTM-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN C[C@@H](NC/C=C/C1CC1)c1nccn1C ZINC000382411474 1167101294 /nfs/dbraw/zinc/10/12/94/1167101294.db2.gz URZCIQLPAAICPF-HMDXOVGESA-N 0 1 205.305 2.037 20 0 BEADMN COC(=O)c1ccc(CNC/C=C/C2CC2)o1 ZINC000383135224 1167114639 /nfs/dbraw/zinc/11/46/39/1167114639.db2.gz WECJTGVFDYXNJM-NSCUHMNNSA-N 0 1 235.283 2.122 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001227598856 975568642 /nfs/dbraw/zinc/56/86/42/975568642.db2.gz MYXAJDINAWNWLH-DJLDLDEBSA-N 0 1 237.328 2.036 20 0 BEADMN CN(C)Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000308902358 1167219839 /nfs/dbraw/zinc/21/98/39/1167219839.db2.gz INWQFAMJPLUUBE-UHFFFAOYSA-N 0 1 227.670 2.417 20 0 BEADMN CO[C@H](C)CNCc1csc(C(C)C)n1 ZINC000308946466 1167222991 /nfs/dbraw/zinc/22/29/91/1167222991.db2.gz NVRQZHOQPBYMEA-SECBINFHSA-N 0 1 228.361 2.391 20 0 BEADMN C[C@@H](NCCCC(C)(C)CO)c1ncco1 ZINC000925131204 1167283123 /nfs/dbraw/zinc/28/31/23/1167283123.db2.gz SAXHITBEJOELQK-SNVBAGLBSA-N 0 1 226.320 2.124 20 0 BEADMN Cc1ncn(-c2ccc(C)cc2C)c1N ZINC001174012052 976181126 /nfs/dbraw/zinc/18/11/26/976181126.db2.gz NTYAFZLDZCSGIO-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN Cc1noc([C@@H](C)NCCCC(F)(F)F)n1 ZINC000309359032 1167295560 /nfs/dbraw/zinc/29/55/60/1167295560.db2.gz AEZJOOSDQSIMBB-ZCFIWIBFSA-N 0 1 237.225 2.371 20 0 BEADMN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCCN2)[C@@H](C)C1 ZINC000309457605 1167309761 /nfs/dbraw/zinc/30/97/61/1167309761.db2.gz NYVVJRWMZJUESL-RHYQMDGZSA-N 0 1 225.332 2.106 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccnc1C1CC1 ZINC001355166049 1167325758 /nfs/dbraw/zinc/32/57/58/1167325758.db2.gz XHMSISHOZWUJOV-UHFFFAOYSA-N 0 1 247.342 2.238 20 0 BEADMN O=C(NCC[C@H]1CCC(F)(F)C1)C(F)(F)F ZINC001334882410 976768187 /nfs/dbraw/zinc/76/81/87/976768187.db2.gz NLSPBTFYHVABLB-ZCFIWIBFSA-N 0 1 245.191 2.490 20 0 BEADMN COc1cc([C@H](C)NC/C=C/C2CC2)on1 ZINC001335280309 976920553 /nfs/dbraw/zinc/92/05/53/976920553.db2.gz AHQVSEHQYDPQOG-NWALNABHSA-N 0 1 222.288 2.300 20 0 BEADMN CN1CC[C@@H](Oc2cc(F)c(F)cc2F)C1 ZINC001229218147 1167452663 /nfs/dbraw/zinc/45/26/63/1167452663.db2.gz OKHMYQYQMZCNME-SSDOTTSWSA-N 0 1 231.217 2.187 20 0 BEADMN COc1ccc2nc(-c3cccc(N)n3)[nH]c2c1 ZINC000168398196 1167455197 /nfs/dbraw/zinc/45/51/97/1167455197.db2.gz PFPXDZGEFFULHZ-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1cccc(F)c1O[C@@H]1CC[N@H+](C)C1 ZINC001231034483 977438302 /nfs/dbraw/zinc/43/83/02/977438302.db2.gz MXKXXAUXDMJIOL-SNVBAGLBSA-N 0 1 209.264 2.217 20 0 BEADMN Cc1cccc(F)c1O[C@@H]1CCN(C)C1 ZINC001231034483 977438309 /nfs/dbraw/zinc/43/83/09/977438309.db2.gz MXKXXAUXDMJIOL-SNVBAGLBSA-N 0 1 209.264 2.217 20 0 BEADMN CSCCC[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC001594186692 977543349 /nfs/dbraw/zinc/54/33/49/977543349.db2.gz VTJLLPUQJNCFFE-UHFFFAOYSA-N 0 1 245.388 2.316 20 0 BEADMN CN1CCC=C(Nc2ccnc(Cl)c2)C1 ZINC001175574520 977568429 /nfs/dbraw/zinc/56/84/29/977568429.db2.gz YMTBPGXWRCXLLO-UHFFFAOYSA-N 0 1 223.707 2.366 20 0 BEADMN CCc1ccc(CN2CC(C)(C)C2)nc1 ZINC001231637225 977656593 /nfs/dbraw/zinc/65/65/93/977656593.db2.gz BCXMHLPAXBXYKD-UHFFFAOYSA-N 0 1 204.317 2.486 20 0 BEADMN CCCn1nc(C)cc1Nc1cncn1C ZINC001175800639 977697862 /nfs/dbraw/zinc/69/78/62/977697862.db2.gz XSZOJLAULQRJSJ-UHFFFAOYSA-N 0 1 219.292 2.079 20 0 BEADMN CC(C)c1cccc(NC(=O)CN(C)C(C)C)n1 ZINC001142582963 1167555889 /nfs/dbraw/zinc/55/58/89/1167555889.db2.gz PBZFTQWMVQYIKF-UHFFFAOYSA-N 0 1 249.358 2.484 20 0 BEADMN COc1ncc(F)cc1CN(C)CC(C)C ZINC001231739746 977715751 /nfs/dbraw/zinc/71/57/51/977715751.db2.gz FGVFLDJHYLIKKX-UHFFFAOYSA-N 0 1 226.295 2.317 20 0 BEADMN COc1ncc(F)cc1CN1CCC[C@H]1C ZINC001231739754 977729527 /nfs/dbraw/zinc/72/95/27/977729527.db2.gz FPSPUHWWPHDZLD-SECBINFHSA-N 0 1 224.279 2.214 20 0 BEADMN CCn1cc(CN2CCCC[C@H]2C2CCC2)nn1 ZINC000899879362 1167568745 /nfs/dbraw/zinc/56/87/45/1167568745.db2.gz FBTCDBOCQYIBJA-AWEZNQCLSA-N 0 1 248.374 2.453 20 0 BEADMN CC1(C)C[C@@H](COC2CCN(CCF)CC2)O1 ZINC001224640430 1167579161 /nfs/dbraw/zinc/57/91/61/1167579161.db2.gz MTUIJVSCUOCDKT-LBPRGKRZSA-N 0 1 245.338 2.004 20 0 BEADMN Cc1cc(CNCc2ccc(C)cc2)[nH]n1 ZINC000381410769 1167579780 /nfs/dbraw/zinc/57/97/80/1167579780.db2.gz UJYQKSZMDASXBX-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN Cc1scnc1CN1CCC2(COC2)CC1 ZINC001232204418 977927658 /nfs/dbraw/zinc/92/76/58/977927658.db2.gz OENYWLHCPCSTEV-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN c1nscc1CN1CC[C@]2(C1)CCCCO2 ZINC001232225953 977950881 /nfs/dbraw/zinc/95/08/81/977950881.db2.gz JBUDGLPTWVFSJC-LBPRGKRZSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1c(F)cc(CN2CC[C@H](CO)C2)cc1F ZINC001232423595 978057803 /nfs/dbraw/zinc/05/78/03/978057803.db2.gz TUGRWSCZTSEGMV-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN Oc1cncc(CN2CCC[C@H](F)CC2)c1 ZINC001232039456 1167671632 /nfs/dbraw/zinc/67/16/32/1167671632.db2.gz SLRCSYQLGNUXMX-NSHDSACASA-N 0 1 224.279 2.111 20 0 BEADMN Cc1cccc(F)c1CN1CC2(C1)CCOC2 ZINC001232482859 1167689191 /nfs/dbraw/zinc/68/91/91/1167689191.db2.gz YXBOCBLHSAMLDY-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(CCO)cc1 ZINC001232773594 978266406 /nfs/dbraw/zinc/26/64/06/978266406.db2.gz FMMKIZJMELXMOR-RISCZKNCSA-N 0 1 237.318 2.154 20 0 BEADMN Nc1cccc2c1cnn2-c1ccncc1 ZINC000113531615 1167731513 /nfs/dbraw/zinc/73/15/13/1167731513.db2.gz GPJDHGKKWSROCG-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CCOC(=O)/C=C/Cn1c(C)nc2c1CCCC2 ZINC000216819334 1167730571 /nfs/dbraw/zinc/73/05/71/1167730571.db2.gz XFDNFIWCCGGQPF-RMKNXTFCSA-N 0 1 248.326 2.190 20 0 BEADMN CN(Cc1cccc(O)c1Cl)CC1COC1 ZINC001232788381 978276172 /nfs/dbraw/zinc/27/61/72/978276172.db2.gz QTRRXWBBZRISJQ-UHFFFAOYSA-N 0 1 241.718 2.124 20 0 BEADMN CC1(C)C[C@@H](CNc2cccn3cncc23)O1 ZINC001168461195 1167751974 /nfs/dbraw/zinc/75/19/74/1167751974.db2.gz RMAMICDIQJPUER-JTQLQIEISA-N 0 1 231.299 2.314 20 0 BEADMN CCN(CC(=O)N1CC[C@H]1C(C)(C)C)C1CC1 ZINC001337603713 978426643 /nfs/dbraw/zinc/42/66/43/978426643.db2.gz GOBVFMQZVXUWKH-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CCO1 ZINC001233259499 978516564 /nfs/dbraw/zinc/51/65/64/978516564.db2.gz VOUIFJHHJDGLRF-SNVBAGLBSA-N 0 1 223.341 2.196 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ccc([S-])cc2)CCO1 ZINC001233259499 978516558 /nfs/dbraw/zinc/51/65/58/978516558.db2.gz VOUIFJHHJDGLRF-SNVBAGLBSA-N 0 1 223.341 2.196 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1n[nH]c(N(C)C)n1 ZINC001178677430 978603907 /nfs/dbraw/zinc/60/39/07/978603907.db2.gz HADWHMDGDBUQPN-VHSXEESVSA-N 0 1 237.351 2.109 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1cncc(Cl)n1 ZINC001233447439 978608168 /nfs/dbraw/zinc/60/81/68/978608168.db2.gz GSSIZZBBKMRAHH-MRVPVSSYSA-N 0 1 213.712 2.360 20 0 BEADMN CC[C@@H]1CCN(Cc2cncc(Cl)n2)C1 ZINC001233451615 978609527 /nfs/dbraw/zinc/60/95/27/978609527.db2.gz RTCVCVVIQKBITD-SECBINFHSA-N 0 1 225.723 2.362 20 0 BEADMN COCC1=CCN(Cc2cc(C)co2)CC1 ZINC001338249573 978644447 /nfs/dbraw/zinc/64/44/47/978644447.db2.gz AQKVEFHDSDEKMU-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CF)C1 ZINC001601811349 978851695 /nfs/dbraw/zinc/85/16/95/978851695.db2.gz YODOACXSIQTZOG-QJPTWQEYSA-N 0 1 243.322 2.169 20 0 BEADMN O=C([O-])C[N@@H+](CCC(F)(F)F)CC1CCC1 ZINC001602053183 978886241 /nfs/dbraw/zinc/88/62/41/978886241.db2.gz BVSKKAFPQCRTNT-UHFFFAOYSA-N 0 1 239.237 2.126 20 0 BEADMN Cc1cc(OC(C)C)ncc1CN(C)C ZINC001235418310 979043095 /nfs/dbraw/zinc/04/30/95/979043095.db2.gz PUVWMSSHUILERX-UHFFFAOYSA-N 0 1 208.305 2.239 20 0 BEADMN CC[C@]1(C)CN(C/C=C(\C)COC)CCO1 ZINC001341281786 979310712 /nfs/dbraw/zinc/31/07/12/979310712.db2.gz RHJMBININMXXKG-XEVNVYFWSA-N 0 1 227.348 2.080 20 0 BEADMN Cc1cc(CN2CC=C(C(F)(F)F)CC2)n[nH]1 ZINC001341568811 979474414 /nfs/dbraw/zinc/47/44/14/979474414.db2.gz GKNZVSFRXIFPOQ-UHFFFAOYSA-N 0 1 245.248 2.413 20 0 BEADMN Cc1cccc(CN(C)CCO)c1OC(C)C ZINC001236256575 979476793 /nfs/dbraw/zinc/47/67/93/979476793.db2.gz PAJWPUUQDOYWQP-UHFFFAOYSA-N 0 1 237.343 2.206 20 0 BEADMN Cc1ccc(Cl)c(CN2CC[C@@H](O)C2)c1 ZINC001238561866 1168263817 /nfs/dbraw/zinc/26/38/17/1168263817.db2.gz XKKSMIIBGRVVHN-LLVKDONJSA-N 0 1 225.719 2.215 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032471653 1168279142 /nfs/dbraw/zinc/27/91/42/1168279142.db2.gz CSNGBLHLVGWNLU-IHRRRGAJSA-N 0 1 248.370 2.038 20 0 BEADMN CC[N@H+](Cc1ccc(F)c([O-])c1)CC(C)(C)O ZINC001236710208 979705104 /nfs/dbraw/zinc/70/51/04/979705104.db2.gz KNUBVNXOOGOQIJ-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN CC[N@@H+](Cc1ccc(F)c([O-])c1)CC(C)(C)O ZINC001236710208 979705116 /nfs/dbraw/zinc/70/51/16/979705116.db2.gz KNUBVNXOOGOQIJ-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN CCC[C@H]1CCCN1C(=O)c1coc(CN)c1 ZINC001342378598 979786729 /nfs/dbraw/zinc/78/67/29/979786729.db2.gz GSJFLESVDDRJNZ-NSHDSACASA-N 0 1 236.315 2.143 20 0 BEADMN CCCCCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236978900 979800263 /nfs/dbraw/zinc/80/02/63/979800263.db2.gz BQRAMSIKNGGHEZ-SNVBAGLBSA-N 0 1 238.297 2.403 20 0 BEADMN Cc1c(CN2CCC[C@@H](O)C2)ccc(F)c1F ZINC001237154434 979822384 /nfs/dbraw/zinc/82/23/84/979822384.db2.gz OEEHGBVKRWLIMP-LLVKDONJSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1c(CN2CC[C@H](CO)C2)ccc(F)c1F ZINC001237162225 979823630 /nfs/dbraw/zinc/82/36/30/979823630.db2.gz SAUVGRYFGBLPTQ-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN O=c1[nH]c(Cl)c(CN2C[C@H]3CC[C@@H]2C3)s1 ZINC001237166883 979824015 /nfs/dbraw/zinc/82/40/15/979824015.db2.gz WBADDVSTPWLKDQ-NKWVEPMBSA-N 0 1 244.747 2.486 20 0 BEADMN C[C@@H]1CN(CC2OC=CC2=S)[C@@H](C)CO1 ZINC001237185970 979838445 /nfs/dbraw/zinc/83/84/45/979838445.db2.gz JJGIZBOJIZSHMG-DTWKUNHWSA-N 0 1 227.329 2.178 20 0 BEADMN CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001605303972 979850081 /nfs/dbraw/zinc/85/00/81/979850081.db2.gz AKGXAOUHZGDLEU-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN CC[N@@H+](C)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001605407467 979867431 /nfs/dbraw/zinc/86/74/31/979867431.db2.gz BAHLXSNYGIYFPS-UHFFFAOYSA-N 0 1 224.304 2.288 20 0 BEADMN Cn1c(C[N@@H+](C)CC(C)(C)C)ccc1C(=O)[O-] ZINC001606155415 979966317 /nfs/dbraw/zinc/96/63/17/979966317.db2.gz MRTVXGFDEVALKI-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001237651334 980003657 /nfs/dbraw/zinc/00/36/57/980003657.db2.gz JOFPPAIEUJXSQW-RYUDHWBXSA-N 0 1 243.301 2.244 20 0 BEADMN CC(=O)CN(C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237985319 980120111 /nfs/dbraw/zinc/12/01/11/980120111.db2.gz UKJPFKPEDQBKPL-UHFFFAOYSA-N 0 1 245.681 2.206 20 0 BEADMN COC1CN(Cc2cc(F)c(O)c(Cl)c2)C1 ZINC001237990479 980124343 /nfs/dbraw/zinc/12/43/43/980124343.db2.gz NKJDHXPHSAPIKR-UHFFFAOYSA-N 0 1 245.681 2.015 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC1CC(C)C1 ZINC001343667170 980182454 /nfs/dbraw/zinc/18/24/54/980182454.db2.gz CTKDDKCVOIJJRJ-MCIGGMRASA-N 0 1 225.332 2.201 20 0 BEADMN COc1c(C)cnc(CN2CC[C@@H]2C)c1C ZINC001238173324 980206038 /nfs/dbraw/zinc/20/60/38/980206038.db2.gz YDEJPEPACVEOEB-JTQLQIEISA-N 0 1 220.316 2.301 20 0 BEADMN Cc1cc(F)ncc1CNCc1ccoc1 ZINC001119941120 1168440298 /nfs/dbraw/zinc/44/02/98/1168440298.db2.gz WKUBDPTXXWADFB-UHFFFAOYSA-N 0 1 220.247 2.412 20 0 BEADMN CCCN(C)Cc1ccc(OC)c(O)c1F ZINC001238365810 980243551 /nfs/dbraw/zinc/24/35/51/980243551.db2.gz JSIIYUOEIOXPTN-UHFFFAOYSA-N 0 1 227.279 2.382 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)n[nH]1 ZINC001344382014 980380784 /nfs/dbraw/zinc/38/07/84/980380784.db2.gz SHENJFOXBGTMIX-WPRPVWTQSA-N 0 1 247.264 2.491 20 0 BEADMN Cc1noc(C)c1CCNCc1nccs1 ZINC000390557779 1168483863 /nfs/dbraw/zinc/48/38/63/1168483863.db2.gz QZOXUAOEPRREPK-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CC[C@H](C)COC(=O)N1CCNC[C@H]1C(C)C ZINC001239333270 980538918 /nfs/dbraw/zinc/53/89/18/980538918.db2.gz BXGQRUXPTRGAMB-RYUDHWBXSA-N 0 1 242.363 2.099 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)c1[nH]ncc1Cl ZINC001187830816 980562457 /nfs/dbraw/zinc/56/24/57/980562457.db2.gz SQGAXKUZBIAQQR-YUMQZZPRSA-N 0 1 241.722 2.466 20 0 BEADMN CCCCOC1CN([C@@H]2CCO[C@H](CC)C2)C1 ZINC001170222607 1168527762 /nfs/dbraw/zinc/52/77/62/1168527762.db2.gz ODNYCRQDZGZKGJ-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN COc1ncc(-c2cc(F)c(O)c(F)c2)cn1 ZINC001244096670 1168549122 /nfs/dbraw/zinc/54/91/22/1168549122.db2.gz KCOPURULKCWOMQ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN COCn1cc(-c2cc3nc[nH]c3cc2C)cn1 ZINC001245218472 1168591541 /nfs/dbraw/zinc/59/15/41/1168591541.db2.gz ADBSRHQGKYRCSO-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN Cc1[nH]nc(CNC(=O)CCCC(C)C)c1C ZINC001347275798 981032343 /nfs/dbraw/zinc/03/23/43/981032343.db2.gz WTHGKVZQXCQQNK-UHFFFAOYSA-N 0 1 237.347 2.469 20 0 BEADMN NCc1nccnc1NCCCC1CCCC1 ZINC001347893944 981209880 /nfs/dbraw/zinc/20/98/80/981209880.db2.gz QOEULUKORAJZJD-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN CCCCOC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001193669466 981404523 /nfs/dbraw/zinc/40/45/23/981404523.db2.gz CNHYZIQKQXMBHW-UHFFFAOYSA-N 0 1 245.666 2.184 20 0 BEADMN CCCCOC(=O)N1CC(N2CCCCC2)C1 ZINC001193690913 981413142 /nfs/dbraw/zinc/41/31/42/981413142.db2.gz BPBDHLXPXQEXFQ-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN CC(C)COC(=O)N1CCN(C(C)(C)C)CC1 ZINC001193823910 981462953 /nfs/dbraw/zinc/46/29/53/981462953.db2.gz QQJLPGYVZYONJD-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CC[C@@H](C)N(CCCC1CC1)CC(=O)OC ZINC001193906272 981508035 /nfs/dbraw/zinc/50/80/35/981508035.db2.gz KYWQIPTUYOQTPQ-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCCOC(=O)Nc1ncc(Cl)cc1O ZINC001194095314 981573048 /nfs/dbraw/zinc/57/30/48/981573048.db2.gz UQZXHOSPJFVFTG-UHFFFAOYSA-N 0 1 230.651 2.399 20 0 BEADMN CC1(C)CCC[C@H](C[N@H+]2CC[C@@]23CCOC3)O1 ZINC001349646999 981606618 /nfs/dbraw/zinc/60/66/18/981606618.db2.gz QQNSSHIJRILTKO-OCCSQVGLSA-N 0 1 239.359 2.199 20 0 BEADMN Clc1ccc(Nc2ccc3nn[nH]c3c2)nn1 ZINC001175995983 1168699000 /nfs/dbraw/zinc/69/90/00/1168699000.db2.gz KYDZOCCJSGLBSL-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1ccc(Nc2ccc3n[nH]nc3c2)nn1 ZINC001175995983 1168699003 /nfs/dbraw/zinc/69/90/03/1168699003.db2.gz KYDZOCCJSGLBSL-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN c1cncc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175996055 1168700596 /nfs/dbraw/zinc/70/05/96/1168700596.db2.gz MSTYPCDEGOCHGK-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1cncc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175996055 1168700607 /nfs/dbraw/zinc/70/06/07/1168700607.db2.gz MSTYPCDEGOCHGK-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175996052 1168700688 /nfs/dbraw/zinc/70/06/88/1168700688.db2.gz MNBAHZAUOBZRJA-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175996052 1168700693 /nfs/dbraw/zinc/70/06/93/1168700693.db2.gz MNBAHZAUOBZRJA-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCCN1CCN(C(=O)OCC(C)(C)C)CC1 ZINC001194371000 981747124 /nfs/dbraw/zinc/74/71/24/981747124.db2.gz BXLLHQWDKPFBDN-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CCCN1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001194588203 981838735 /nfs/dbraw/zinc/83/87/35/981838735.db2.gz GQGXORUMZRCPHU-MCIGGMRASA-N 0 1 225.332 2.203 20 0 BEADMN CCn1cnc(Cl)c1CNCC(C)(C)OC ZINC001177929562 1168720358 /nfs/dbraw/zinc/72/03/58/1168720358.db2.gz YQLVGSWPHZZYFC-UHFFFAOYSA-N 0 1 245.754 2.071 20 0 BEADMN CC[C@H](C)COC(=O)N1CCN(C(C)C)CC1 ZINC001194762405 981891949 /nfs/dbraw/zinc/89/19/49/981891949.db2.gz UYXGSNZTDJPKFV-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN c1cc(N2CCOCC2)cc2nc(C3CC3)[nH]c12 ZINC001250427194 1168783487 /nfs/dbraw/zinc/78/34/87/1168783487.db2.gz YMMYPOFFCHTDPN-UHFFFAOYSA-N 0 1 243.310 2.277 20 0 BEADMN c1cc(N2CCOCC2)cc2[nH]c(C3CC3)nc12 ZINC001250427194 1168783496 /nfs/dbraw/zinc/78/34/96/1168783496.db2.gz YMMYPOFFCHTDPN-UHFFFAOYSA-N 0 1 243.310 2.277 20 0 BEADMN CSc1ncc(C)c(C2=CCN(C)CC2)n1 ZINC001241307482 982445534 /nfs/dbraw/zinc/44/55/34/982445534.db2.gz BTDYSGXZMSSUFL-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN Cc1nc2cncc(-c3cncs3)c2[nH]1 ZINC001241499047 982658009 /nfs/dbraw/zinc/65/80/09/982658009.db2.gz BPEFEKOKHWMVOU-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H](C)C2(C)CC2)n1 ZINC001198407160 982705554 /nfs/dbraw/zinc/70/55/54/982705554.db2.gz RCMLJRQMJPTPJI-VHSXEESVSA-N 0 1 235.331 2.330 20 0 BEADMN CCC[C@@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777175337 1168882443 /nfs/dbraw/zinc/88/24/43/1168882443.db2.gz QJXGQUNPCUHIBZ-SNVBAGLBSA-N 0 1 249.358 2.136 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CF)cc1 ZINC001589443197 982785155 /nfs/dbraw/zinc/78/51/55/982785155.db2.gz BIUBGMDRBFFUGU-GFCCVEGCSA-N 0 1 239.290 2.451 20 0 BEADMN Cc1cccc2ncc(CN3CC=CC3)n21 ZINC001137191120 1168945313 /nfs/dbraw/zinc/94/53/13/1168945313.db2.gz PMBSGBPPKTURKB-UHFFFAOYSA-N 0 1 213.284 2.015 20 0 BEADMN c1c[nH]c(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001204005441 1168957401 /nfs/dbraw/zinc/95/74/01/1168957401.db2.gz PZUINYAFZXNXKC-WCQYABFASA-N 0 1 220.316 2.016 20 0 BEADMN CC(C)(C)NC(=S)Nc1ncc(F)cc1O ZINC001200899876 983116576 /nfs/dbraw/zinc/11/65/76/983116576.db2.gz CWKUSSGAXSWEHQ-UHFFFAOYSA-N 0 1 243.307 2.011 20 0 BEADMN Cc1nc2ccc(Nc3ccn[nH]c3=O)cc2[nH]1 ZINC001213072198 1168975023 /nfs/dbraw/zinc/97/50/23/1168975023.db2.gz HVSZBMDGTKWEJY-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1(C)CC1 ZINC001592950591 983222255 /nfs/dbraw/zinc/22/22/55/983222255.db2.gz IWISFEIZEBDQMD-YIZRAAEISA-N 0 1 247.285 2.073 20 0 BEADMN CCCC[C@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC001252075943 983234459 /nfs/dbraw/zinc/23/44/59/983234459.db2.gz FLSMTTMMINWQCT-JTQLQIEISA-N 0 1 233.302 2.269 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)OC(C)(C)C)C1 ZINC001201499261 983266386 /nfs/dbraw/zinc/26/63/86/983266386.db2.gz IKACFZZWUJJRQK-SNVBAGLBSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1cc(CN2CCC([C@H]3CCCO3)CC2)[nH]n1 ZINC001320589368 1169033091 /nfs/dbraw/zinc/03/30/91/1169033091.db2.gz LWLKPWPRXHDZKN-CQSZACIVSA-N 0 1 249.358 2.109 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000043447064 1169088166 /nfs/dbraw/zinc/08/81/66/1169088166.db2.gz ZMGKRRBXVVFDHO-NWDGAFQWSA-N 0 1 227.348 2.449 20 0 BEADMN CC[N@@H+](C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001596193307 983575276 /nfs/dbraw/zinc/57/52/76/983575276.db2.gz TYKGGBHPSHTHRA-UHFFFAOYSA-N 0 1 222.288 2.042 20 0 BEADMN CCCC[C@@H](O)CN[C@H](C)c1cscn1 ZINC001252108684 983680658 /nfs/dbraw/zinc/68/06/58/983680658.db2.gz RBCAMAYBQAREDZ-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccn1 ZINC001137408808 1169242096 /nfs/dbraw/zinc/24/20/96/1169242096.db2.gz QVEFCGXJNHNGCT-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1CC(=O)OCc1ccccc1 ZINC000752088120 1169272231 /nfs/dbraw/zinc/27/22/31/1169272231.db2.gz JPRPPHSFFIPVDQ-QWHCGFSZSA-N 0 1 247.338 2.460 20 0 BEADMN Cc1coc(CN[C@H](C)CCOC(C)C)n1 ZINC001172432000 974715765 /nfs/dbraw/zinc/71/57/65/974715765.db2.gz UGDYPNRZQJFVFF-SNVBAGLBSA-N 0 1 226.320 2.276 20 0 BEADMN CC(C)COCC[C@H](C)N1CCOCC12CC2 ZINC001172479529 974780031 /nfs/dbraw/zinc/78/00/31/974780031.db2.gz DGLCXEVUBSQTLO-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)OCC[C@H](C)N1CC2(C1)CCCO2 ZINC001172441914 974801131 /nfs/dbraw/zinc/80/11/31/974801131.db2.gz DLLVFRGRGSLXIW-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172444646 974804292 /nfs/dbraw/zinc/80/42/92/974804292.db2.gz UBXIBLSONMJZBF-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)OCC[C@@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172459374 974823125 /nfs/dbraw/zinc/82/31/25/974823125.db2.gz ILNLTGMIDVTIKN-JHJVBQTASA-N 0 1 227.348 2.053 20 0 BEADMN [O-]c1cnccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140272974 1169369619 /nfs/dbraw/zinc/36/96/19/1169369619.db2.gz FSEKAPGGNLXYRL-PHIMTYICSA-N 0 1 218.300 2.019 20 0 BEADMN CCC[C@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223027141 972805868 /nfs/dbraw/zinc/80/58/68/972805868.db2.gz MFUXFVHZCGCJSY-NSHDSACASA-N 0 1 238.335 2.465 20 0 BEADMN COc1ccsc1CN1CC[C@H]2OCC[C@H]21 ZINC001141321138 1169381693 /nfs/dbraw/zinc/38/16/93/1169381693.db2.gz WSDJUWHTGJTOPI-NXEZZACHSA-N 0 1 239.340 2.120 20 0 BEADMN CCN(C)Cc1ccc(F)c(OC)c1F ZINC001143304226 1169407285 /nfs/dbraw/zinc/40/72/85/1169407285.db2.gz KGGCSOXJIZNNQJ-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN CCCc1cccc(N2CCN(C)CC2)c1 ZINC000145362444 1169411131 /nfs/dbraw/zinc/41/11/31/1169411131.db2.gz BMHLOUHRWJJUKS-UHFFFAOYSA-N 0 1 218.344 2.391 20 0 BEADMN Cc1cccc2nc(C(=O)N3CC[C@H]3C)[nH]c21 ZINC001151983334 1169412720 /nfs/dbraw/zinc/41/27/20/1169412720.db2.gz BFTAJENKFYIIRC-SECBINFHSA-N 0 1 229.283 2.106 20 0 BEADMN CS[C@H]1CC[C@H](N(C)Cc2nc(C)c[nH]2)C1 ZINC001329061108 973455187 /nfs/dbraw/zinc/45/51/87/973455187.db2.gz JGMGGTJEHYLDOH-QWRGUYRKSA-N 0 1 239.388 2.434 20 0 BEADMN O=c1cc[nH]cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554693 970789195 /nfs/dbraw/zinc/78/91/95/970789195.db2.gz FDLFCENLPPPQBW-UHFFFAOYSA-N 0 1 244.229 2.134 20 0 BEADMN Cc1ccc(OC(C)C)cc1Nc1nonc1N ZINC001215583533 970797314 /nfs/dbraw/zinc/79/73/14/970797314.db2.gz SKGPPFKZYIZYIS-UHFFFAOYSA-N 0 1 248.286 2.491 20 0 BEADMN C[C@H](Cc1ccccn1)N1CC[C@H](F)C1 ZINC001256411103 970817719 /nfs/dbraw/zinc/81/77/19/970817719.db2.gz OOKTWQZCZASGAW-MNOVXSKESA-N 0 1 208.280 2.056 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCC[C@H](F)C1 ZINC001256414874 970823101 /nfs/dbraw/zinc/82/31/01/970823101.db2.gz ININRQNLXZKCMU-NEPJUHHUSA-N 0 1 222.307 2.447 20 0 BEADMN Cc1ccc(Nc2cnns2)c2cn[nH]c21 ZINC001215755707 970829417 /nfs/dbraw/zinc/82/94/17/970829417.db2.gz YHALCVRZECHFHH-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1ccc(Nc2cncnc2)c2cn[nH]c21 ZINC001215754275 970829676 /nfs/dbraw/zinc/82/96/76/970829676.db2.gz RBIPHWYGVSYWJW-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(Nc2ccn[nH]c2=O)c2cn[nH]c21 ZINC001215755756 970829838 /nfs/dbraw/zinc/82/98/38/970829838.db2.gz AETLVJWHQVMJJQ-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccccn1 ZINC001256423922 970830283 /nfs/dbraw/zinc/83/02/83/970830283.db2.gz MFBOZRKKSAHBQR-RISCZKNCSA-N 0 1 232.327 2.066 20 0 BEADMN CCOCc1cncc(Nc2c(C)ncn2C)c1 ZINC001215786632 970841757 /nfs/dbraw/zinc/84/17/57/970841757.db2.gz BYSVCLVIRAZEJT-UHFFFAOYSA-N 0 1 246.314 2.404 20 0 BEADMN CCOC1CCC(N2CCn3cncc3C2)CC1 ZINC001256444599 970843876 /nfs/dbraw/zinc/84/38/76/970843876.db2.gz VIMMGORWVXUVAP-UHFFFAOYSA-N 0 1 249.358 2.046 20 0 BEADMN CSc1cc(C)ccc1-n1cncc1N ZINC001215872258 970870683 /nfs/dbraw/zinc/87/06/83/970870683.db2.gz MPPVPZRZXDWUDW-UHFFFAOYSA-N 0 1 219.313 2.485 20 0 BEADMN Cc1nc(OCC(C)C)ccc1-n1cncc1N ZINC001215945795 970875556 /nfs/dbraw/zinc/87/55/56/970875556.db2.gz FCZXIBKJPVDPSX-UHFFFAOYSA-N 0 1 246.314 2.193 20 0 BEADMN Cc1nc(OC(C)C)ccc1Nc1nnco1 ZINC001215917314 970877651 /nfs/dbraw/zinc/87/76/51/970877651.db2.gz SIOJDZADQKURHB-UHFFFAOYSA-N 0 1 234.259 2.304 20 0 BEADMN Cc1ncn(-c2cc(C3CC3)cnc2F)c1N ZINC001215955743 970879322 /nfs/dbraw/zinc/87/93/22/970879322.db2.gz HLOIFNOCFGRKRJ-UHFFFAOYSA-N 0 1 232.262 2.174 20 0 BEADMN CSc1cc(F)c(-n2cncc2N)cc1F ZINC001215966558 970883327 /nfs/dbraw/zinc/88/33/27/970883327.db2.gz RZHHGHLRXUBGDA-UHFFFAOYSA-N 0 1 241.266 2.455 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2[nH]nc3ncccc32)o1 ZINC001256624087 970889771 /nfs/dbraw/zinc/88/97/71/970889771.db2.gz GMSOAMRROFGQIC-SVRRBLITSA-N 0 1 241.254 2.131 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2[nH]nc3ncccc32)o1 ZINC001256624086 970890703 /nfs/dbraw/zinc/89/07/03/970890703.db2.gz GMSOAMRROFGQIC-POYBYMJQSA-N 0 1 241.254 2.131 20 0 BEADMN CC[C@H]1[C@H](CO)CCN1CC=C(Cl)Cl ZINC000403320162 970905287 /nfs/dbraw/zinc/90/52/87/970905287.db2.gz ANJFPYLBVJJURE-IUCAKERBSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc([C@@H]2CCc3[nH]cnc3C2)o1 ZINC001256657245 970906506 /nfs/dbraw/zinc/90/65/06/970906506.db2.gz KNNPNQBODYGWFF-IWSPIJDZSA-N 0 1 244.298 2.189 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@@H]2CCc3[nH]cnc3C2)o1 ZINC001256657241 970907252 /nfs/dbraw/zinc/90/72/52/970907252.db2.gz KNNPNQBODYGWFF-HLTSFMKQSA-N 0 1 244.298 2.189 20 0 BEADMN Nc1cncn1-c1ccc(N)c(C(F)(F)F)c1 ZINC001216049466 970917396 /nfs/dbraw/zinc/91/73/96/970917396.db2.gz ZDHUDKGOLIFSQG-UHFFFAOYSA-N 0 1 242.204 2.056 20 0 BEADMN CC(C)NCc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000403394106 970930671 /nfs/dbraw/zinc/93/06/71/970930671.db2.gz QVRVQSNWEFDJTK-FRRDWIJNSA-N 0 1 248.374 2.212 20 0 BEADMN CCc1n[nH]cc1-c1nnc([C@H]2C[C@@H]2C)o1 ZINC001256707873 970931033 /nfs/dbraw/zinc/93/10/33/970931033.db2.gz CIZNZOMSKMBQOQ-BQBZGAKWSA-N 0 1 218.260 2.146 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2cnccc2N(C)C)o1 ZINC001256736952 970970044 /nfs/dbraw/zinc/97/00/44/970970044.db2.gz OADIBCWSQJZZCO-RKDXNWHRSA-N 0 1 244.298 2.321 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCOC(C)(C)C1 ZINC001256736873 970970771 /nfs/dbraw/zinc/97/07/71/970970771.db2.gz UQARKAZQDUADLZ-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1COCCN1[C@H](C)Cc1ccncc1 ZINC001256744880 970976836 /nfs/dbraw/zinc/97/68/36/970976836.db2.gz ANMOQVLEKCAYNT-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@H](C)Cc1ccncc1 ZINC001256745508 970977661 /nfs/dbraw/zinc/97/76/61/970977661.db2.gz MHPBWQQABRMFFA-IUODEOHRSA-N 0 1 246.354 2.456 20 0 BEADMN CN(C1COC1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815548 970991102 /nfs/dbraw/zinc/99/11/02/970991102.db2.gz BIJRAFXLOVZOBY-ZFWWWQNUSA-N 0 1 247.338 2.237 20 0 BEADMN CCC1CCC(N2CC3(CCO3)C2)CC1 ZINC001256874817 970996145 /nfs/dbraw/zinc/99/61/45/970996145.db2.gz JBIIVFRUZVFJKI-UHFFFAOYSA-N 0 1 209.333 2.430 20 0 BEADMN Nc1ncc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001243874501 970996530 /nfs/dbraw/zinc/99/65/30/970996530.db2.gz KOPUUZUULVLNDP-UHFFFAOYSA-N 0 1 238.294 2.309 20 0 BEADMN C[C@H](O)[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000403672313 971012526 /nfs/dbraw/zinc/01/25/26/971012526.db2.gz VGKJZCLFQPZDAO-JGVFFNPUSA-N 0 1 224.131 2.008 20 0 BEADMN OC[C@@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000403739837 971033502 /nfs/dbraw/zinc/03/35/02/971033502.db2.gz MEMKFOIXOKTDAV-SECBINFHSA-N 0 1 238.158 2.400 20 0 BEADMN CC(=O)Nc1ccccc1C1=CNCCC1 ZINC001243950443 971045313 /nfs/dbraw/zinc/04/53/13/971045313.db2.gz SFXNEUZBVPMHAA-UHFFFAOYSA-N 0 1 216.284 2.369 20 0 BEADMN c1coc(-c2cncc(C3=CNCCC3)c2)n1 ZINC001243951742 971046344 /nfs/dbraw/zinc/04/63/44/971046344.db2.gz AAYUSSUYDCGJPJ-UHFFFAOYSA-N 0 1 227.267 2.461 20 0 BEADMN Cc1c(C2=CNCCC2)cnc2nccnc12 ZINC001243953112 971048853 /nfs/dbraw/zinc/04/88/53/971048853.db2.gz UQFFSHKOFYPDRL-UHFFFAOYSA-N 0 1 226.283 2.058 20 0 BEADMN C[N@@H+]1CC=C(Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001208856791 1169510185 /nfs/dbraw/zinc/51/01/85/1169510185.db2.gz JMJYERQUHKABAG-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001257059730 971077357 /nfs/dbraw/zinc/07/73/57/971077357.db2.gz MKXZFVRQBNTEEZ-SDDRHHMPSA-N 0 1 243.322 2.152 20 0 BEADMN CCc1coc(CNC2C[C@@H](C)O[C@H](C)C2)n1 ZINC001257071392 971087050 /nfs/dbraw/zinc/08/70/50/971087050.db2.gz YYDVKHVXCATSSX-NXEZZACHSA-N 0 1 238.331 2.283 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(C(C)C)cn1 ZINC001158164896 971085909 /nfs/dbraw/zinc/08/59/09/971085909.db2.gz STQLDPZCLYPVSW-UHFFFAOYSA-N 0 1 230.315 2.158 20 0 BEADMN c1sc2nccnc2c1N=C1CCCOC1 ZINC001216504911 971100602 /nfs/dbraw/zinc/10/06/02/971100602.db2.gz CANKUSHJDVVQAA-UHFFFAOYSA-N 0 1 233.296 2.407 20 0 BEADMN CCCOc1ccc(Nc2cncn2C)cn1 ZINC001216585804 971135554 /nfs/dbraw/zinc/13/55/54/971135554.db2.gz PYOWDIYSPKHYFC-UHFFFAOYSA-N 0 1 232.287 2.348 20 0 BEADMN CCC(CC)NCc1nccc(Cl)n1 ZINC001257289838 971176337 /nfs/dbraw/zinc/17/63/37/971176337.db2.gz FFRQKQPOVIQUDH-UHFFFAOYSA-N 0 1 213.712 2.408 20 0 BEADMN Cn1cncc1Nc1cccc2ocnc21 ZINC001211250986 1169532316 /nfs/dbraw/zinc/53/23/16/1169532316.db2.gz SCLQDWJHNBDLNE-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN CCN(c1cncn1C)c1ccccc1N ZINC001211251001 1169532450 /nfs/dbraw/zinc/53/24/50/1169532450.db2.gz SZVZLVTYYYBROH-UHFFFAOYSA-N 0 1 216.288 2.160 20 0 BEADMN C[C@H]1CCCCN(C(=O)c2ccncc2O)C1 ZINC000186245141 971187733 /nfs/dbraw/zinc/18/77/33/971187733.db2.gz BTUDLFJLBKDLJQ-JTQLQIEISA-N 0 1 234.299 2.049 20 0 BEADMN CCC[C@H](C)N1CCc2onc(COC)c2C1 ZINC001257319579 971218632 /nfs/dbraw/zinc/21/86/32/971218632.db2.gz QFZXGLSXULWYDL-JTQLQIEISA-N 0 1 238.331 2.368 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@@H](C)[C@@H]2C)s1 ZINC000405543107 971269973 /nfs/dbraw/zinc/26/99/73/971269973.db2.gz JGOHGOPAJHJUDE-ATZCPNFKSA-N 0 1 240.372 2.219 20 0 BEADMN CCc1nc(CN[C@@H]2CO[C@H](C)[C@@H]2C)cs1 ZINC000405558250 971273462 /nfs/dbraw/zinc/27/34/62/971273462.db2.gz RFZGLQYGERDDCW-IQJOONFLSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@@H](C)N1CCn2nncc2C1 ZINC001257369325 971288799 /nfs/dbraw/zinc/28/87/99/971288799.db2.gz WULDIZLUARHHDA-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(C)nc2)CC1 ZINC000405700707 971297895 /nfs/dbraw/zinc/29/78/95/971297895.db2.gz PDCQEOHDHZHRFQ-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CCCCOC(=O)CC[C@H](C)N(C)CCF ZINC001257404079 971302096 /nfs/dbraw/zinc/30/20/96/971302096.db2.gz OQKBHHADEXADAB-NSHDSACASA-N 0 1 233.327 2.400 20 0 BEADMN C[C@H]1CC[C@H](c2nnc(C3CCC3)o2)NC1 ZINC001217702807 971342378 /nfs/dbraw/zinc/34/23/78/971342378.db2.gz NTAWIVYYXBEKCC-WCBMZHEXSA-N 0 1 221.304 2.398 20 0 BEADMN COc1ccc(C)c(F)c1-c1cnc(CN)nc1 ZINC001244565141 971343191 /nfs/dbraw/zinc/34/31/91/971343191.db2.gz AANQTAWZKYSRQX-UHFFFAOYSA-N 0 1 247.273 2.058 20 0 BEADMN C[C@@H]1CCCN[C@H]1c1nnc(C2CCC2)o1 ZINC001217702941 971344301 /nfs/dbraw/zinc/34/43/01/971344301.db2.gz QHLAKVPGPQGAAS-PSASIEDQSA-N 0 1 221.304 2.398 20 0 BEADMN C[C@H]1CCCN[C@H]1c1nnc(C2CCC2)o1 ZINC001217702943 971344703 /nfs/dbraw/zinc/34/47/03/971344703.db2.gz QHLAKVPGPQGAAS-WCBMZHEXSA-N 0 1 221.304 2.398 20 0 BEADMN CC[C@@H](C)NCc1nccc(OC(C)C)n1 ZINC001257436033 971345337 /nfs/dbraw/zinc/34/53/37/971345337.db2.gz HVWKZJIZHYBJRY-SNVBAGLBSA-N 0 1 223.320 2.152 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702324 971346113 /nfs/dbraw/zinc/34/61/13/971346113.db2.gz JHESHBKRWWWBIR-ZYUZMQFOSA-N 0 1 221.304 2.254 20 0 BEADMN Cc1cccc(-c2nnc([C@@H]3C=CCN3)o2)c1 ZINC001217717551 971355396 /nfs/dbraw/zinc/35/53/96/971355396.db2.gz JTCGZHBXHXQMAL-NSHDSACASA-N 0 1 227.267 2.246 20 0 BEADMN CCCCCc1nnc([C@@H]2C=CCN2)o1 ZINC001217717147 971356187 /nfs/dbraw/zinc/35/61/87/971356187.db2.gz FNHNUOOCHBAIJI-VIFPVBQESA-N 0 1 207.277 2.003 20 0 BEADMN Cc1ccc(-c2nnc([C@@H]3C=CCN3)o2)cc1F ZINC001217717867 971357839 /nfs/dbraw/zinc/35/78/39/971357839.db2.gz QOSJZYRQCOFYKW-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN C1=C[C@@H](c2nnc(CC3CCCC3)o2)NC1 ZINC001217718109 971360479 /nfs/dbraw/zinc/36/04/79/971360479.db2.gz RYGSVADWPQWSBY-JTQLQIEISA-N 0 1 219.288 2.003 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@H]2C)o1 ZINC001217723636 971363776 /nfs/dbraw/zinc/36/37/76/971363776.db2.gz SYGLALPKJVIAIS-JXUBOQSCSA-N 0 1 223.320 2.500 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc(CC(C)(C)C)o1 ZINC001217732488 971373427 /nfs/dbraw/zinc/37/34/27/971373427.db2.gz BJLRMOQRTNWBFP-GFCCVEGCSA-N 0 1 225.336 2.488 20 0 BEADMN CC(C)CCc1nnc([C@](C)(N)C(C)C)o1 ZINC001217732561 971373479 /nfs/dbraw/zinc/37/34/79/971373479.db2.gz CUUFMUXDYYZKNP-GFCCVEGCSA-N 0 1 225.336 2.488 20 0 BEADMN Cn1cnc2c1CCN(C1CCCCC1)C2 ZINC001257459554 971384107 /nfs/dbraw/zinc/38/41/07/971384107.db2.gz YSXVQAMKWMTMLS-UHFFFAOYSA-N 0 1 219.332 2.111 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CCN(C)C(=O)C1 ZINC001257476244 971400905 /nfs/dbraw/zinc/40/09/05/971400905.db2.gz KABZZDMJRREUMN-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCCCC[C@H](C)Nc1nccnc1CN ZINC001257503026 971423909 /nfs/dbraw/zinc/42/39/09/971423909.db2.gz IZUKEYOHBAIREY-JTQLQIEISA-N 0 1 222.336 2.316 20 0 BEADMN CCCCC[C@@H](C)N1CC[C@H](S(C)(=O)=O)C1 ZINC001257516937 971442724 /nfs/dbraw/zinc/44/27/24/971442724.db2.gz ORISQGFUFDYKQP-NEPJUHHUSA-N 0 1 247.404 2.074 20 0 BEADMN CCCCC[C@H](C)N1CCOC[C@H]1COC ZINC001257520426 971446953 /nfs/dbraw/zinc/44/69/53/971446953.db2.gz SUXQJKHNAISISP-QWHCGFSZSA-N 0 1 229.364 2.302 20 0 BEADMN C1N([C@@H]2CCCSC2)CC12CCCCO2 ZINC001257673203 971477635 /nfs/dbraw/zinc/47/76/35/971477635.db2.gz XQHZAPPMQCOIKA-LLVKDONJSA-N 0 1 227.373 2.137 20 0 BEADMN c1cc2n(c1)CCN([C@@H]1CCCSC1)C2 ZINC001257678175 971482678 /nfs/dbraw/zinc/48/26/78/971482678.db2.gz RLLYSGUJJVFKPL-GFCCVEGCSA-N 0 1 222.357 2.199 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012150 948936820 /nfs/dbraw/zinc/93/68/20/948936820.db2.gz CYRSGLIHVKUYEB-ZETCQYMHSA-N 0 1 225.675 2.129 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCC2CC2)C1 ZINC000083935081 949037661 /nfs/dbraw/zinc/03/76/61/949037661.db2.gz OYOTWNCXWUYTRS-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1F ZINC000086802181 949066171 /nfs/dbraw/zinc/06/61/71/949066171.db2.gz OPFGUDKGJGHPSE-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN F[C@@H]1C[C@H]1N[C@H]1COc2ccc(Cl)cc2C1 ZINC001257950205 971545768 /nfs/dbraw/zinc/54/57/68/971545768.db2.gz KHNIJOFZLBWLGI-GMTAPVOTSA-N 0 1 241.693 2.344 20 0 BEADMN CN(CC(F)F)c1nc2[nH]cnc2cc1Cl ZINC001158926775 971580100 /nfs/dbraw/zinc/58/01/00/971580100.db2.gz MRVMCYWXJSQOOB-UHFFFAOYSA-N 0 1 246.648 2.313 20 0 BEADMN CC1(C)CC[N@@H+](CCCC(=O)[O-])CCS1 ZINC000228088839 949620181 /nfs/dbraw/zinc/62/01/81/949620181.db2.gz ZLOAEGJZURVYLC-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CC(C)(C)N1CC(Oc2ccc(CO)cc2)C1 ZINC001218193167 971622830 /nfs/dbraw/zinc/62/28/30/971622830.db2.gz NVUMSHCECWAPES-UHFFFAOYSA-N 0 1 235.327 2.040 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1Oc1n[nH]c2c1CNCC2 ZINC001218214709 971632569 /nfs/dbraw/zinc/63/25/69/971632569.db2.gz QRPNYYBXFJUHMQ-MFKMUULPSA-N 0 1 249.358 2.403 20 0 BEADMN CC[C@H]1CCCC[C@H]1Oc1n[nH]c2c1CNCC2 ZINC001218214708 971634762 /nfs/dbraw/zinc/63/47/62/971634762.db2.gz QRPNYYBXFJUHMQ-GXFFZTMASA-N 0 1 249.358 2.403 20 0 BEADMN CCCC[C@H](CC)Oc1n[nH]c2c1CNCC2 ZINC001218222438 971636730 /nfs/dbraw/zinc/63/67/30/971636730.db2.gz CUIOKTLLHWYMDA-JTQLQIEISA-N 0 1 237.347 2.403 20 0 BEADMN CC1(C)[C@@H]2C[C@H](Nc3cccnc3CN)C[C@@H]21 ZINC001170729592 971667805 /nfs/dbraw/zinc/66/78/05/971667805.db2.gz DPWOMLGLLAECAK-JGPRNRPPSA-N 0 1 231.343 2.387 20 0 BEADMN C[C@H]1CC(Oc2n[nH]c3c2CNCC3)C[C@H](C)C1 ZINC001218286989 971682457 /nfs/dbraw/zinc/68/24/57/971682457.db2.gz PJFMPKGNILASPZ-NXEZZACHSA-N 0 1 249.358 2.259 20 0 BEADMN c1nc2ccc(C3=CCCOC3)cc2[nH]1 ZINC001245156874 971695113 /nfs/dbraw/zinc/69/51/13/971695113.db2.gz AHMHKRAYLNMPJS-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN CC1(NCc2nc(Cl)cs2)CC1 ZINC001330624458 974369502 /nfs/dbraw/zinc/36/95/02/974369502.db2.gz BFWOODJQIQJIGS-UHFFFAOYSA-N 0 1 202.710 2.439 20 0 BEADMN COC(=O)c1cccc(CNCC(C)(C)F)c1 ZINC001330639093 974376743 /nfs/dbraw/zinc/37/67/43/974376743.db2.gz QGFDJSBTLGVBLR-UHFFFAOYSA-N 0 1 239.290 2.311 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000321189261 951013064 /nfs/dbraw/zinc/01/30/64/951013064.db2.gz FUTNOZOAYZPJPO-NSHDSACASA-N 0 1 237.299 2.275 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2n[nH]c3c2CNCC3)[C@H]1C ZINC001218353972 971724452 /nfs/dbraw/zinc/72/44/52/971724452.db2.gz YXOFSVLPIFFPFZ-NRUUGDAUSA-N 0 1 249.358 2.259 20 0 BEADMN CSC(C)(C)CC[N@@H+](C)CCCC(=O)[O-] ZINC000385784308 951284481 /nfs/dbraw/zinc/28/44/81/951284481.db2.gz CSMJSALGUQEOIP-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN CCC=CNc1ncnc2cnc(SC)nc21 ZINC001170763493 971746759 /nfs/dbraw/zinc/74/67/59/971746759.db2.gz HUJBRMAZSRBJSN-SNAWJCMRSA-N 0 1 247.327 2.477 20 0 BEADMN CCCC=Nc1nccc(OC)c1C(=O)OC ZINC001170763893 971748697 /nfs/dbraw/zinc/74/86/97/971748697.db2.gz NURAMCPUKWZMAQ-FNORWQNLSA-N 0 1 236.271 2.212 20 0 BEADMN OC1CCC(Oc2ccc3nc[nH]c3c2)CC1 ZINC001218365083 971749116 /nfs/dbraw/zinc/74/91/16/971749116.db2.gz RVYALSZACCDFMO-UHFFFAOYSA-N 0 1 232.283 2.245 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+]([C@@H]2C=CCCC2)C1 ZINC000398856200 951615300 /nfs/dbraw/zinc/61/53/00/951615300.db2.gz OSBMBESYTLTHRU-IJLUTSLNSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000399073874 951632054 /nfs/dbraw/zinc/63/20/54/951632054.db2.gz RDIJHGAUSXGBCT-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000399073870 951632272 /nfs/dbraw/zinc/63/22/72/951632272.db2.gz RDIJHGAUSXGBCT-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000399101249 951635045 /nfs/dbraw/zinc/63/50/45/951635045.db2.gz UQKFRSOULHJTOL-RHYQMDGZSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1=CCCC1 ZINC000401130372 951659155 /nfs/dbraw/zinc/65/91/55/951659155.db2.gz SMWNJZCHTIGRED-ZYHUDNBSSA-N 0 1 223.316 2.282 20 0 BEADMN CC[C@@H](Oc1nc(C)nc2[nH]cnc21)C(C)C ZINC001229438897 1169659210 /nfs/dbraw/zinc/65/92/10/1169659210.db2.gz ZGNZUVMEWXGMKD-SECBINFHSA-N 0 1 234.303 2.475 20 0 BEADMN Nc1ccnc2cc(-c3cc[nH]n3)ccc12 ZINC001245311243 971773576 /nfs/dbraw/zinc/77/35/76/971773576.db2.gz PQSLCXCBRDXUNU-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2CC[C@@H](C)C2)n1 ZINC001229438208 1169660804 /nfs/dbraw/zinc/66/08/04/1169660804.db2.gz DOVPWJGKBKJZAY-VXNVDRBHSA-N 0 1 232.287 2.229 20 0 BEADMN CC[N@@H+](CC1(CC(=O)[O-])CC1)C(C)(C)C ZINC000382042696 971797107 /nfs/dbraw/zinc/79/71/07/971797107.db2.gz UUZDNSFFUMUKCC-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC2(CCCC2)C1 ZINC000382554890 971822554 /nfs/dbraw/zinc/82/25/54/971822554.db2.gz HZDQTRFCGAYYCS-DHZHZOJOSA-N 0 1 223.316 2.283 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)n1ccnc1CN ZINC001172321333 974530789 /nfs/dbraw/zinc/53/07/89/974530789.db2.gz JBAUZJMJFWHYJA-WDEREUQCSA-N 0 1 225.336 2.108 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)NCc1ccon1 ZINC001172322504 974533547 /nfs/dbraw/zinc/53/35/47/974533547.db2.gz VBFKJNUJNUWNNB-WDEREUQCSA-N 0 1 226.320 2.358 20 0 BEADMN c1nc2ccc(NCOc3ccccc3)nc2[nH]1 ZINC001170803197 971849870 /nfs/dbraw/zinc/84/98/70/971849870.db2.gz NHYJYEADKDRDGG-UHFFFAOYSA-N 0 1 240.266 2.406 20 0 BEADMN CC1(C)C[C@@H](NCOc2ccccc2)CO1 ZINC001172278835 974536719 /nfs/dbraw/zinc/53/67/19/974536719.db2.gz YCIVIWWGEJCRJO-LLVKDONJSA-N 0 1 221.300 2.180 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000383590175 971878244 /nfs/dbraw/zinc/87/82/44/971878244.db2.gz CPYYUXJOOUYGOJ-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](c1ccncc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000383965823 971903395 /nfs/dbraw/zinc/90/33/95/971903395.db2.gz PMYJBPATOVPDJW-LLVKDONJSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1cc(CCC(=O)N(C)c2ccccc2)n[nH]1 ZINC001135495766 971902031 /nfs/dbraw/zinc/90/20/31/971902031.db2.gz SVMMFFZWRFGAEX-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172375658 974576621 /nfs/dbraw/zinc/57/66/21/974576621.db2.gz WKPOUFNWXHQTLA-WISYIIOYSA-N 0 1 227.348 2.304 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403791538 953370249 /nfs/dbraw/zinc/37/02/49/953370249.db2.gz DYQLYDWQXWRBBA-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H](C)[C@H](C)N1CCn2cncc2C1 ZINC001170826148 971929172 /nfs/dbraw/zinc/92/91/72/971929172.db2.gz FZYGZJINYNKQPW-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN C[C@H]1COCC[C@@H]1Nc1ccc2nc[nH]c2c1 ZINC001170827334 971932520 /nfs/dbraw/zinc/93/25/20/971932520.db2.gz ZROCNJVKVYTOJV-ONGXEEELSA-N 0 1 231.299 2.400 20 0 BEADMN C[N@H+]1CC[C@H](Oc2cc(Cl)nc(Cl)c2)C1 ZINC001225604130 974587435 /nfs/dbraw/zinc/58/74/35/974587435.db2.gz IJJVSGXZOZOQKO-ZETCQYMHSA-N 0 1 247.125 2.471 20 0 BEADMN CN(Cc1nccs1)[C@@H]1CCCOCC1 ZINC001170831769 971951982 /nfs/dbraw/zinc/95/19/82/971951982.db2.gz SGVSFIRPJSPFRW-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@@H]1CCCOCC1 ZINC001170831157 971952006 /nfs/dbraw/zinc/95/20/06/971952006.db2.gz NHCLDKPOUQQKHI-CHWSQXEVSA-N 0 1 234.343 2.434 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@@H]1CCCOCC1 ZINC001170831159 971952328 /nfs/dbraw/zinc/95/23/28/971952328.db2.gz NHCLDKPOUQQKHI-QWHCGFSZSA-N 0 1 234.343 2.434 20 0 BEADMN CC[N@@H+](CCC1CC1)C/C(C)=C/C(=O)[O-] ZINC000385234942 971989130 /nfs/dbraw/zinc/98/91/30/971989130.db2.gz UDRNUJNYBLHOMG-CSKARUKUSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1[nH+]ccn1CCNc1ccccc1C(=O)[O-] ZINC000310936724 971990559 /nfs/dbraw/zinc/99/05/59/971990559.db2.gz MYLYNOSKCFJKLA-UHFFFAOYSA-N 0 1 245.282 2.002 20 0 BEADMN CC[C@](N)(CO)Nc1c(C)cc(Cl)cc1C ZINC001170865491 971995687 /nfs/dbraw/zinc/99/56/87/971995687.db2.gz MZRHRHIIOUORGR-GFCCVEGCSA-N 0 1 242.750 2.426 20 0 BEADMN CCOC1CN([C@H](C)CCO[C@H](C)CC)C1 ZINC001172341467 974609511 /nfs/dbraw/zinc/60/95/11/974609511.db2.gz UBLMRNCHZZKLOC-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN COc1cnc(F)cc1-c1cc2nc[nH]c2cn1 ZINC001239008798 1169705003 /nfs/dbraw/zinc/70/50/03/1169705003.db2.gz CKVWOKKCZNBJAZ-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000190687942 972042979 /nfs/dbraw/zinc/04/29/79/972042979.db2.gz KHIYEUAJMONRRI-CQSZACIVSA-N 0 1 243.310 2.063 20 0 BEADMN COCCc1cc(=O)n(-c2c(C)cccc2C)[nH]1 ZINC001245939497 972103296 /nfs/dbraw/zinc/10/32/96/972103296.db2.gz GYWVJSLEQZDHFT-UHFFFAOYSA-N 0 1 246.310 2.384 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N(CC)CC(=O)OC ZINC001172362541 974636236 /nfs/dbraw/zinc/63/62/36/974636236.db2.gz UEZXTMBWZRTDGI-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CCO/C=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC001136430249 972165636 /nfs/dbraw/zinc/16/56/36/972165636.db2.gz IQYSIDYYFYTGCZ-WAYWQWQTSA-N 0 1 231.255 2.052 20 0 BEADMN Cc1cc(C2=CCCN(C)C2)c(F)cn1 ZINC001241571328 1169732301 /nfs/dbraw/zinc/73/23/01/1169732301.db2.gz XHKJRZHUVHGCJG-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1c(F)cncc1C1=CCCN(C)C1 ZINC001241571291 1169731819 /nfs/dbraw/zinc/73/18/19/1169731819.db2.gz WTVLRNLEGGFFOB-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN COc1cnc(-c2cc(F)c(O)cc2F)nc1 ZINC001206755031 956882708 /nfs/dbraw/zinc/88/27/08/956882708.db2.gz DGNATCRDYGSHAI-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN CCN(C1COC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171004209 972230757 /nfs/dbraw/zinc/23/07/57/972230757.db2.gz ZMUNEWBNGUWSLG-LBPRGKRZSA-N 0 1 249.329 2.404 20 0 BEADMN OCc1cc(Nc2ccc3c(c2)NCC3)ccn1 ZINC001213148009 957029450 /nfs/dbraw/zinc/02/94/50/957029450.db2.gz PZHOTJNWXZPVIF-UHFFFAOYSA-N 0 1 241.294 2.286 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc(C)c1F ZINC001143374332 957056289 /nfs/dbraw/zinc/05/62/89/957056289.db2.gz STVBXIHXCKCCAJ-WCQYABFASA-N 0 1 237.318 2.255 20 0 BEADMN CC1(CN2CC3(CCO3)C2)CCCCC1 ZINC001208901641 957226412 /nfs/dbraw/zinc/22/64/12/957226412.db2.gz DDVMZPDSUWCXGE-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CCC(=O)C(C)(C)CN(C)Cc1cnc(C)nc1 ZINC001208921725 957246059 /nfs/dbraw/zinc/24/60/59/957246059.db2.gz ORIPMCDBIIGTLL-UHFFFAOYSA-N 0 1 249.358 2.222 20 0 BEADMN CCOC(C)(C)CN1CCC[C@@H]1c1ncccn1 ZINC001209079272 957311884 /nfs/dbraw/zinc/31/18/84/957311884.db2.gz RUDFSCHKGPZGNM-GFCCVEGCSA-N 0 1 249.358 2.429 20 0 BEADMN CCOC(C)(C)CN1CCC[C@H]1c1ncccn1 ZINC001209079275 957313269 /nfs/dbraw/zinc/31/32/69/957313269.db2.gz RUDFSCHKGPZGNM-LBPRGKRZSA-N 0 1 249.358 2.429 20 0 BEADMN CN(CC1CCCCC1)c1ncc2c(n1)CNC2 ZINC001167096997 957318700 /nfs/dbraw/zinc/31/87/00/957318700.db2.gz YESJUWKGWMOGSO-UHFFFAOYSA-N 0 1 246.358 2.096 20 0 BEADMN CCOC(C)(C)CN(C)Cc1cnc(C)nc1 ZINC001209077454 957320225 /nfs/dbraw/zinc/32/02/25/957320225.db2.gz LZFGRJBQSCLKQD-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN CCN(CCc1cc(F)cc(F)c1)C1COC1 ZINC001209140799 957335156 /nfs/dbraw/zinc/33/51/56/957335156.db2.gz NYBLKUIFYLGHMA-UHFFFAOYSA-N 0 1 241.281 2.228 20 0 BEADMN c1ncc(CN2CCC(OC3CCC3)CC2)cn1 ZINC001137663672 972266701 /nfs/dbraw/zinc/26/67/01/972266701.db2.gz KDDAQDSCZISDII-UHFFFAOYSA-N 0 1 247.342 2.010 20 0 BEADMN COC[C@H](Nc1ccc2c(n1)CCC2)C1CC1 ZINC000397268107 957564022 /nfs/dbraw/zinc/56/40/22/957564022.db2.gz LOXMULOOARUGKY-ZDUSSCGKSA-N 0 1 232.327 2.407 20 0 BEADMN COC[C@@H]1CCN(Cc2cc(Cl)ccn2)C1 ZINC000086130200 957564446 /nfs/dbraw/zinc/56/44/46/957564446.db2.gz GOUXLUSROAOLBZ-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN Cc1cc(N)ncc1Nc1ncncc1Cl ZINC001209961469 957581005 /nfs/dbraw/zinc/58/10/05/957581005.db2.gz KVFCOVGOZNIBBR-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN CC(C)(C)N1CC(OCCCCF)C1 ZINC001209967190 957586209 /nfs/dbraw/zinc/58/62/09/957586209.db2.gz AWKSPBZCWWVAKT-UHFFFAOYSA-N 0 1 203.301 2.235 20 0 BEADMN Cc1cc(N)ncc1Nc1cc2ccccn2n1 ZINC001209966117 957586557 /nfs/dbraw/zinc/58/65/57/957586557.db2.gz UKKIAGWLJSDYEQ-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN COc1ccc(Nc2cnc(N)cc2C)cn1 ZINC001209962118 957587941 /nfs/dbraw/zinc/58/79/41/957587941.db2.gz RCWWKOZIBVSSPM-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN Cc1cc(N)ncc1Nc1ccnnc1Cl ZINC001209965102 957588110 /nfs/dbraw/zinc/58/81/10/957588110.db2.gz LUZIRXNMSHJFGB-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(F)ccc1CO ZINC001209968627 957591081 /nfs/dbraw/zinc/59/10/81/957591081.db2.gz FKVOFWXJAAZXLB-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062753271 957607999 /nfs/dbraw/zinc/60/79/99/957607999.db2.gz PQLYZJTYJWOBPO-SECBINFHSA-N 0 1 237.274 2.366 20 0 BEADMN COc1cccc(CCN(C)Cc2c[nH]cn2)c1 ZINC001136871424 972290911 /nfs/dbraw/zinc/29/09/11/972290911.db2.gz INVLQAGBFSKZOW-UHFFFAOYSA-N 0 1 245.326 2.093 20 0 BEADMN CCc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)[O-])CC2 ZINC000082791289 957805493 /nfs/dbraw/zinc/80/54/93/957805493.db2.gz NASQMBAHWJKJPR-JTQLQIEISA-N 0 1 233.311 2.080 20 0 BEADMN COC(=O)c1occc1CN[C@]12C[C@H]1CCC2 ZINC000693180983 957814478 /nfs/dbraw/zinc/81/44/78/957814478.db2.gz JHRDPWQWGDULNU-ZWNOBZJWSA-N 0 1 235.283 2.098 20 0 BEADMN CC(C)c1[nH+]ccn1CC1(CC(=O)[O-])CC1 ZINC000083854861 957835564 /nfs/dbraw/zinc/83/55/64/957835564.db2.gz HRXNHWHBORZKGB-UHFFFAOYSA-N 0 1 222.288 2.261 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])CCC(F)(F)F ZINC000083890749 957839611 /nfs/dbraw/zinc/83/96/11/957839611.db2.gz XOCCPSDGRQMUKZ-UHFFFAOYSA-N 0 1 241.253 2.372 20 0 BEADMN Cc1ncn(C)c1Nc1cc(CO)ccc1C ZINC001210678854 957852742 /nfs/dbraw/zinc/85/27/42/957852742.db2.gz ZSKZDXGWWRBUOF-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN Cc1ccc(CO)cc1Nc1ccnc(CO)c1 ZINC001210678549 957853243 /nfs/dbraw/zinc/85/32/43/957853243.db2.gz TUBMHENBSZOSAQ-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000084725341 957873031 /nfs/dbraw/zinc/87/30/31/957873031.db2.gz CHNRUCXFGNPJOT-RZABIFLQSA-N 0 1 211.305 2.138 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)nc2)C[C@H]1C ZINC000824815148 972300019 /nfs/dbraw/zinc/30/00/19/972300019.db2.gz IVJHWKWTDRUPGJ-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@@H](CC(=O)[O-])SCC[C@H]1CCCC[N@H+]1C ZINC000085157620 957878189 /nfs/dbraw/zinc/87/81/89/957878189.db2.gz CCQULGQYGCRMMF-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN C[C@@H](CC(=O)[O-])SCC[C@@H]1CCCC[N@H+]1C ZINC000085157616 957878296 /nfs/dbraw/zinc/87/82/96/957878296.db2.gz CCQULGQYGCRMMF-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN FC(F)(F)Oc1ccc(Nc2nnco2)cn1 ZINC001210819274 957912357 /nfs/dbraw/zinc/91/23/57/957912357.db2.gz FJJLLFJMFPLZTC-UHFFFAOYSA-N 0 1 246.148 2.107 20 0 BEADMN Cc1cc(C[N@H+](C)C(C)(C)C(=O)[O-])ccc1F ZINC000086762292 957984914 /nfs/dbraw/zinc/98/49/14/957984914.db2.gz SEKZBOVSXAPVLZ-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccncc1 ZINC000087591525 958019698 /nfs/dbraw/zinc/01/96/98/958019698.db2.gz DOQVAANAHUGGJU-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN CC(C)[C@H]1CCCN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000088845572 958071303 /nfs/dbraw/zinc/07/13/03/958071303.db2.gz RMAJNQDXJSRQNW-LLVKDONJSA-N 0 1 234.299 2.405 20 0 BEADMN Cn1cncc1Nc1ccnn1CC1CCC1 ZINC001211248535 958109057 /nfs/dbraw/zinc/10/90/57/958109057.db2.gz NWUNYQUTCFGGNI-UHFFFAOYSA-N 0 1 231.303 2.160 20 0 BEADMN CCc1nccc(C)c1Nc1cncn1C ZINC001211248581 958110971 /nfs/dbraw/zinc/11/09/71/958110971.db2.gz OSOKHEWKNQTRPY-UHFFFAOYSA-N 0 1 216.288 2.430 20 0 BEADMN Cn1cncc1Nc1cnc2cccc(O)c2c1 ZINC001211246971 958111075 /nfs/dbraw/zinc/11/10/75/958111075.db2.gz BYAQXKPHPOGOAD-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN COC(=O)c1ccc(Nc2cncn2C)c(F)c1 ZINC001211250249 958113826 /nfs/dbraw/zinc/11/38/26/958113826.db2.gz KITNBBFTZXVXSO-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN COc1cc(C)cc(Nc2cncn2C)c1 ZINC001211250186 958114384 /nfs/dbraw/zinc/11/43/84/958114384.db2.gz HIWLOFKQPVBOBV-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cn1cncc1Nc1ccc2[nH]c(=O)ccc2c1 ZINC001211250063 958116691 /nfs/dbraw/zinc/11/66/91/958116691.db2.gz GVDUEPFQVYFFMJ-UHFFFAOYSA-N 0 1 240.266 2.005 20 0 BEADMN Cn1cncc1Nc1ccc(F)c(F)c1O ZINC001211252428 958120149 /nfs/dbraw/zinc/12/01/49/958120149.db2.gz LUEXBWVMQDKFKL-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN C[C@@H]1CN(Cc2nccs2)CCC[C@@]1(C)O ZINC001204545075 958125403 /nfs/dbraw/zinc/12/54/03/958125403.db2.gz MTVQMHBIHVMTCJ-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN Nc1cncc(F)c1-c1cc(F)c(O)cc1F ZINC001211340069 958161347 /nfs/dbraw/zinc/16/13/47/958161347.db2.gz SFLFGXLCJATALL-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Nc1nccc(N[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC001348008728 958244759 /nfs/dbraw/zinc/24/47/59/958244759.db2.gz FJGIUZQCKSHWOK-VXGBXAGGSA-N 0 1 240.310 2.102 20 0 BEADMN C[C@H]1CCN(Cc2ccncn2)CCC1(F)F ZINC001140346083 958255982 /nfs/dbraw/zinc/25/59/82/958255982.db2.gz NNCIZMWMMOOHMN-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN c1cc(CN2CC[C@@]23CCOC3)cc2c1COC2 ZINC001137030921 972334521 /nfs/dbraw/zinc/33/45/21/972334521.db2.gz STZGRTNGVOHKIT-HNNXBMFYSA-N 0 1 245.322 2.082 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000723138206 958299510 /nfs/dbraw/zinc/29/95/10/958299510.db2.gz OHDCATCTXIWOND-WHOHXGKFSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)N(CCCO)Cc1ccnn1C(C)C ZINC001207173087 958300897 /nfs/dbraw/zinc/30/08/97/958300897.db2.gz AJPXUQNSCLOLPR-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN Nc1cccc(CN2CCOCC23CCC3)c1 ZINC000707235261 958421551 /nfs/dbraw/zinc/42/15/51/958421551.db2.gz BMCADEAIRFEHJX-UHFFFAOYSA-N 0 1 232.327 2.024 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@H]1C(=O)[O-] ZINC000693442856 958423652 /nfs/dbraw/zinc/42/36/52/958423652.db2.gz BDGUBDOQTSAHGV-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)OC1CCC(NCc2ncccn2)CC1 ZINC000707377269 958480680 /nfs/dbraw/zinc/48/06/80/958480680.db2.gz QTJZKULUTBQATB-UHFFFAOYSA-N 0 1 249.358 2.302 20 0 BEADMN C[C@@H]1C[C@H](C)N(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000123850977 958509694 /nfs/dbraw/zinc/50/96/94/958509694.db2.gz NQGDIRKLUHTNED-BDAKNGLRSA-N 0 1 220.272 2.015 20 0 BEADMN Cc1nn(C)cc1CN1CCCC[C@@](C)(F)C1 ZINC001204576301 958535615 /nfs/dbraw/zinc/53/56/15/958535615.db2.gz IUQBJSCAKCLGQL-CYBMUJFWSA-N 0 1 239.338 2.443 20 0 BEADMN Cc1nc(CN(CCCO)C(C)C)sc1C ZINC000087396305 958538808 /nfs/dbraw/zinc/53/88/08/958538808.db2.gz QGPSIIAVRSSFRW-UHFFFAOYSA-N 0 1 242.388 2.353 20 0 BEADMN Cc1noc([C@H](N[C@H]2CCSC2)C(C)C)n1 ZINC000167717416 958631454 /nfs/dbraw/zinc/63/14/54/958631454.db2.gz ZBNAQKRLEBDPEK-VHSXEESVSA-N 0 1 241.360 2.170 20 0 BEADMN COCCN(C)Cc1cc(F)cc(F)c1C ZINC001143757852 972363913 /nfs/dbraw/zinc/36/39/13/972363913.db2.gz PFAPHDZTLLHSFH-UHFFFAOYSA-N 0 1 229.270 2.351 20 0 BEADMN CCOc1ccc(-c2cc(N)ccn2)c(C)n1 ZINC001222086784 972366398 /nfs/dbraw/zinc/36/63/98/972366398.db2.gz PVDNOYNZKVURFR-UHFFFAOYSA-N 0 1 229.283 2.433 20 0 BEADMN Cc1ccnc(CN[C@@H]2CC[C@H](C)C2)n1 ZINC000707943772 958859100 /nfs/dbraw/zinc/85/91/00/958859100.db2.gz AAUQBQYXDSPKRO-GXSJLCMTSA-N 0 1 205.305 2.063 20 0 BEADMN Cc1ccnc(CN[C@@H](C)CC2CC2)n1 ZINC000707945952 958862649 /nfs/dbraw/zinc/86/26/49/958862649.db2.gz XSKMMFYAGZGKRX-JTQLQIEISA-N 0 1 205.305 2.063 20 0 BEADMN Cc1cccc(C2=CC[N@@H+](CC(=O)[O-])CC2)c1C ZINC001594401648 958864328 /nfs/dbraw/zinc/86/43/28/958864328.db2.gz YOOQUSWHRROURO-UHFFFAOYSA-N 0 1 245.322 2.477 20 0 BEADMN CCn1ccnc1CN[C@H]1CCOC12CCCC2 ZINC000934384558 958884318 /nfs/dbraw/zinc/88/43/18/958884318.db2.gz HMOOHBQMBJGACZ-LBPRGKRZSA-N 0 1 249.358 2.094 20 0 BEADMN COCOc1ccccc1Nc1ccncc1 ZINC001211549137 958952400 /nfs/dbraw/zinc/95/24/00/958952400.db2.gz FHSKDWWZWRFLSF-UHFFFAOYSA-N 0 1 230.267 2.230 20 0 BEADMN CC(C)=CC(=O)N(C(=N)N)c1ccccc1F ZINC001143929057 972397409 /nfs/dbraw/zinc/39/74/09/972397409.db2.gz YENKIEIIPZOHTM-UHFFFAOYSA-N 0 1 235.262 2.018 20 0 BEADMN CN(C[C@H](O)c1c(F)cccc1F)C1CC1 ZINC000051902348 959067214 /nfs/dbraw/zinc/06/72/14/959067214.db2.gz OGEZOCODCCCUJI-NSHDSACASA-N 0 1 227.254 2.092 20 0 BEADMN CCCC(=CC(=O)OCc1nnc[nH]1)CCC ZINC001327101669 972405064 /nfs/dbraw/zinc/40/50/64/972405064.db2.gz DUDOBBJAGHJGPI-UHFFFAOYSA-N 0 1 237.303 2.375 20 0 BEADMN CC[N@@H+](Cc1ncccc1C)C(C)(C)C(=O)[O-] ZINC000161045979 959164612 /nfs/dbraw/zinc/16/46/12/959164612.db2.gz HHAJINJYQSZDMD-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1[nH+]c(NC[C@H]2C[C@H]2C)ccc1C(=O)[O-] ZINC000167084928 959334576 /nfs/dbraw/zinc/33/45/76/959334576.db2.gz DIXLTWWRUPXTNV-VXNVDRBHSA-N 0 1 220.272 2.156 20 0 BEADMN Fc1ccccc1[C@H]1CCCN1Cc1c[nH]nn1 ZINC001203206761 959394663 /nfs/dbraw/zinc/39/46/63/959394663.db2.gz WYZVXKLFWLPLIX-CYBMUJFWSA-N 0 1 246.289 2.281 20 0 BEADMN CC(C)c1ccccc1C(=O)OCc1nnc[nH]1 ZINC001327123048 972425163 /nfs/dbraw/zinc/42/51/63/972425163.db2.gz FEKZOXZCFFCASC-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000405689572 959493527 /nfs/dbraw/zinc/49/35/27/959493527.db2.gz MLWCCXLZYXTWIE-AWEZNQCLSA-N 0 1 232.327 2.191 20 0 BEADMN C[N@@H+](Cc1cncc(C(=O)[O-])c1)C(C)(C)C ZINC000721568318 959527417 /nfs/dbraw/zinc/52/74/17/959527417.db2.gz WZKYQCFRHTVWNT-UHFFFAOYSA-N 0 1 222.288 2.010 20 0 BEADMN C[C@@H]1CCCN[C@H]1c1nnc(C2CC2)o1 ZINC001217702604 959562976 /nfs/dbraw/zinc/56/29/76/959562976.db2.gz LUWUFGQNXSUHIE-VXNVDRBHSA-N 0 1 207.277 2.008 20 0 BEADMN CC(C)(CNCc1ccon1)CC(F)F ZINC000693964515 959623377 /nfs/dbraw/zinc/62/33/77/959623377.db2.gz NMDVXRLVYXQMIE-UHFFFAOYSA-N 0 1 218.247 2.446 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+](C)CCc1cccs1 ZINC000211304858 959681131 /nfs/dbraw/zinc/68/11/31/959681131.db2.gz KNQPRBXVPKJXMW-NTMALXAHSA-N 0 1 239.340 2.253 20 0 BEADMN COc1ccc(C[N@@H+](C)C/C(C)=C\C(=O)[O-])cc1 ZINC000215671533 959757225 /nfs/dbraw/zinc/75/72/25/959757225.db2.gz GGKGJDLHKCNBDU-FLIBITNWSA-N 0 1 249.310 2.158 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000215640410 959758209 /nfs/dbraw/zinc/75/82/09/959758209.db2.gz LWGQPLVCGIGDSH-RNKPRXRFSA-N 0 1 213.321 2.384 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](CC1CC1)C(C)C ZINC000215695021 959760091 /nfs/dbraw/zinc/76/00/91/959760091.db2.gz OKGASAVVYLYLNT-POHAHGRESA-N 0 1 211.305 2.138 20 0 BEADMN COCOc1ccc(Nc2c(C)ncn2C)cc1 ZINC001211635955 959804578 /nfs/dbraw/zinc/80/45/78/959804578.db2.gz SMSDKGPSFBTAIH-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN c1csc(CNc2ccc3nn[nH]c3c2)n1 ZINC000309372219 959859135 /nfs/dbraw/zinc/85/91/35/959859135.db2.gz QRKAVBICDXMCOU-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN c1csc(CNc2ccc3n[nH]nc3c2)n1 ZINC000309372219 959859139 /nfs/dbraw/zinc/85/91/39/959859139.db2.gz QRKAVBICDXMCOU-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN C/C=C/C=C\c1nc([C@@H](N)C(C)C)no1 ZINC000393753034 959897958 /nfs/dbraw/zinc/89/79/58/959897958.db2.gz FSUAPPGTOOSNFX-IAYQKGBCSA-N 0 1 207.277 2.315 20 0 BEADMN C[C@H](C1CC1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227032427 959913101 /nfs/dbraw/zinc/91/31/01/959913101.db2.gz UVCXLBKDKWNGIO-YGRLFVJLSA-N 0 1 245.322 2.469 20 0 BEADMN Cc1cc(CNc2cnc(CC(C)C)nc2)n[nH]1 ZINC001352758396 959928899 /nfs/dbraw/zinc/92/88/99/959928899.db2.gz AATWKAXSPQRYLD-UHFFFAOYSA-N 0 1 245.330 2.319 20 0 BEADMN CCC[C@H](N)c1cc([C@H]2CCCO2)no1 ZINC000694880012 960020999 /nfs/dbraw/zinc/02/09/99/960020999.db2.gz KPHDXTFYAXGMCT-WCBMZHEXSA-N 0 1 210.277 2.326 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cn1 ZINC000228887416 960044668 /nfs/dbraw/zinc/04/46/68/960044668.db2.gz UTEMTMRBYRHXPT-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@]1(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CCCS1 ZINC000327905005 960078611 /nfs/dbraw/zinc/07/86/11/960078611.db2.gz PUAARQMXLBIIDY-VXGBXAGGSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000327905002 960078916 /nfs/dbraw/zinc/07/89/16/960078916.db2.gz PUAARQMXLBIIDY-NEPJUHHUSA-N 0 1 243.372 2.069 20 0 BEADMN COC(C)(C)CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000231032665 960183628 /nfs/dbraw/zinc/18/36/28/960183628.db2.gz APDKVXUXWNMYGD-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccoc1 ZINC000692598975 960332634 /nfs/dbraw/zinc/33/26/34/960332634.db2.gz GFZSZGJGOCEIRS-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN C[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CCC1 ZINC000234260626 960346220 /nfs/dbraw/zinc/34/62/20/960346220.db2.gz WJLIHHPIDOPBMH-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN C[C@H]1CCCN1CN1C(=O)C[C@H]1c1ccccc1 ZINC000173519768 960350593 /nfs/dbraw/zinc/35/05/93/960350593.db2.gz FUQVHIDJHGDXQO-JSGCOSHPSA-N 0 1 244.338 2.402 20 0 BEADMN Cc1nn(C)c(C)c1CN1CCCC[C@@H](F)C1 ZINC001203051442 960453330 /nfs/dbraw/zinc/45/33/30/960453330.db2.gz BKFSDTJDWMCXIC-GFCCVEGCSA-N 0 1 239.338 2.361 20 0 BEADMN CN(CCc1ccccn1)Cc1ccc(F)nc1 ZINC000189571000 960468365 /nfs/dbraw/zinc/46/83/65/960468365.db2.gz CHTLMWNMZCTVPU-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN OCc1ccc(CN2CCC[C@@H](C(F)F)C2)o1 ZINC001140682208 960488870 /nfs/dbraw/zinc/48/88/70/960488870.db2.gz OJGKBXHFUCMLAY-SECBINFHSA-N 0 1 245.269 2.249 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC001140689739 960499104 /nfs/dbraw/zinc/49/91/04/960499104.db2.gz LXJHWYCCIFFAFE-MFKMUULPSA-N 0 1 248.326 2.176 20 0 BEADMN FC(F)(F)[C@H]1CCN(Cc2cc[nH]c2)C1 ZINC001140707515 960519665 /nfs/dbraw/zinc/51/96/65/960519665.db2.gz PIKCOHBBDJXXDH-VIFPVBQESA-N 0 1 218.222 2.399 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000686457930 960532938 /nfs/dbraw/zinc/53/29/38/960532938.db2.gz FAMGEBQGRXYSEB-XFWSIPNHSA-N 0 1 239.319 2.006 20 0 BEADMN Cc1cc(CN2CCC(OC3CCC3)CC2)[nH]n1 ZINC001203070564 960622322 /nfs/dbraw/zinc/62/23/22/960622322.db2.gz YWIXLDSZLGAZCM-UHFFFAOYSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1c[nH]c(CN2CC3(CSC3)C2)c1C ZINC001140864108 960647582 /nfs/dbraw/zinc/64/75/82/960647582.db2.gz IFBXTKOPTOVCGE-UHFFFAOYSA-N 0 1 222.357 2.180 20 0 BEADMN Cc1cc(CN2CC[C@H](c3ccncc3)C2)[nH]n1 ZINC001203076229 960675373 /nfs/dbraw/zinc/67/53/73/960675373.db2.gz ZKLCQZUUWXNYDK-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cc(CN2CCOc3ccccc3C2)n[nH]1 ZINC001203076104 960680927 /nfs/dbraw/zinc/68/09/27/960680927.db2.gz WQPVNGGFYQNJKC-UHFFFAOYSA-N 0 1 243.310 2.113 20 0 BEADMN COc1ccc(CN2CCC[C@@H]2CF)cc1N ZINC001140903078 960681454 /nfs/dbraw/zinc/68/14/54/960681454.db2.gz MYZDWQVLHUOHBW-LLVKDONJSA-N 0 1 238.306 2.211 20 0 BEADMN Cc1cc(C[N@@H+](C)CCc2cccs2)[nH]n1 ZINC001203077010 960686928 /nfs/dbraw/zinc/68/69/28/960686928.db2.gz NXWIQYZRFHLACF-UHFFFAOYSA-N 0 1 235.356 2.454 20 0 BEADMN Cc1cc(CN(C)CCc2cccs2)[nH]n1 ZINC001203077010 960686938 /nfs/dbraw/zinc/68/69/38/960686938.db2.gz NXWIQYZRFHLACF-UHFFFAOYSA-N 0 1 235.356 2.454 20 0 BEADMN Cl/C=C\CN1CCOCC2(CCC2)C1 ZINC000759918343 960714794 /nfs/dbraw/zinc/71/47/94/960714794.db2.gz OMKJCWXFGJAAQW-DJWKRKHSSA-N 0 1 215.724 2.241 20 0 BEADMN Cc1cc(CN2CC(c3ccccc3)C2)n[nH]1 ZINC001203082518 960769496 /nfs/dbraw/zinc/76/94/96/960769496.db2.gz TZFTUVHACJGCNC-UHFFFAOYSA-N 0 1 227.311 2.318 20 0 BEADMN c1coc(CN2CCC[C@@H]2Cc2ccccn2)n1 ZINC001141007337 960808013 /nfs/dbraw/zinc/80/80/13/960808013.db2.gz IGGCYLZFCUKMBN-CYBMUJFWSA-N 0 1 243.310 2.277 20 0 BEADMN c1coc(CN2CCC[C@H]2Cc2ccccn2)n1 ZINC001141007338 960808889 /nfs/dbraw/zinc/80/88/89/960808889.db2.gz IGGCYLZFCUKMBN-ZDUSSCGKSA-N 0 1 243.310 2.277 20 0 BEADMN CCCOc1ccc(-n2cncc2N)cc1F ZINC001211665835 960811626 /nfs/dbraw/zinc/81/16/26/960811626.db2.gz HTYPOLOSBOKYGQ-UHFFFAOYSA-N 0 1 235.262 2.382 20 0 BEADMN CC1CN(Cc2ccc3cccc(O)c3n2)C1 ZINC001141019836 960819463 /nfs/dbraw/zinc/81/94/63/960819463.db2.gz QFVMELMTHUKCDH-UHFFFAOYSA-N 0 1 228.295 2.392 20 0 BEADMN c1cc2c(cc1CN1CC3(CCC3)C1)OCCO2 ZINC001141037672 960826990 /nfs/dbraw/zinc/82/69/90/960826990.db2.gz UKMMBZXJKIADHY-UHFFFAOYSA-N 0 1 245.322 2.444 20 0 BEADMN Cc1cc(N)nc(N2CC3(CCC3)C[C@@H]2C)n1 ZINC000893498493 960832683 /nfs/dbraw/zinc/83/26/83/960832683.db2.gz PFUGGPVCVHYJNU-JTQLQIEISA-N 0 1 232.331 2.136 20 0 BEADMN Cc1ncoc1CN1CC[C@]2(C1)CCCCO2 ZINC001141051949 960845917 /nfs/dbraw/zinc/84/59/17/960845917.db2.gz YNXSEPCZAMAPIM-ZDUSSCGKSA-N 0 1 236.315 2.128 20 0 BEADMN CCCCc1ncc(C[N@H+](C)C2CC2)[nH]1 ZINC001141067558 960858030 /nfs/dbraw/zinc/85/80/30/960858030.db2.gz HKSAKHLFWCMSAT-UHFFFAOYSA-N 0 1 207.321 2.347 20 0 BEADMN c1nc(CN2CC[C@@H]3CCC[C@@H]3C2)co1 ZINC001141126847 960874427 /nfs/dbraw/zinc/87/44/27/960874427.db2.gz XEUVQJBQRMHEPT-WDEREUQCSA-N 0 1 206.289 2.297 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1cocn1 ZINC001141129773 960877947 /nfs/dbraw/zinc/87/79/47/960877947.db2.gz KSQMZWZUCQLYIG-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN FC1(F)Oc2ccc(CN3CC=CC3)cc2O1 ZINC001141153903 960889611 /nfs/dbraw/zinc/88/96/11/960889611.db2.gz HPQDLHPTLQVJNQ-UHFFFAOYSA-N 0 1 239.221 2.380 20 0 BEADMN COc1c(F)cccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001143522406 960899147 /nfs/dbraw/zinc/89/91/47/960899147.db2.gz VPFGLKZNCMMBSX-PHIMTYICSA-N 0 1 221.275 2.286 20 0 BEADMN Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c(F)c1 ZINC001141191707 960920759 /nfs/dbraw/zinc/92/07/59/960920759.db2.gz RQONDEAJHHUICA-AAEUAGOBSA-N 0 1 237.318 2.479 20 0 BEADMN Cc1cncc(CN(C)C2CC(C)C2)n1 ZINC001203160945 960994153 /nfs/dbraw/zinc/99/41/53/960994153.db2.gz BZBYFXPILXEULA-UHFFFAOYSA-N 0 1 205.305 2.015 20 0 BEADMN O=C(CCN1Cc2ccccc2C1)N1CCCC1 ZINC000838834462 961089415 /nfs/dbraw/zinc/08/94/15/961089415.db2.gz RVOHKERATFWQGP-UHFFFAOYSA-N 0 1 244.338 2.015 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cn2c(n1)COCC2 ZINC001141525919 961089548 /nfs/dbraw/zinc/08/95/48/961089548.db2.gz VOCSWDUQTAJODK-VXGBXAGGSA-N 0 1 249.358 2.176 20 0 BEADMN CC[C@H]1CCCCN1Cc1cn2c(n1)COCC2 ZINC001141535329 961098899 /nfs/dbraw/zinc/09/88/99/961098899.db2.gz YKXOXVYXMNYVPB-ZDUSSCGKSA-N 0 1 249.358 2.178 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)CC(C)=O)C1(CC)CC ZINC001167820626 961118739 /nfs/dbraw/zinc/11/87/39/961118739.db2.gz VDDCHJKKZIXLEV-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN CC/C=C(/F)C(=O)NCc1ccc2cncn2c1 ZINC001141947655 961181441 /nfs/dbraw/zinc/18/14/41/961181441.db2.gz DZMYFQLYLIMJCG-KGVSQERTSA-N 0 1 247.273 2.214 20 0 BEADMN CC(C)n1ccnc1CNC[C@H]1CCC=CO1 ZINC000692888901 961186120 /nfs/dbraw/zinc/18/61/20/961186120.db2.gz APFPTTNIPWOXEG-GFCCVEGCSA-N 0 1 235.331 2.246 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251237992 961244280 /nfs/dbraw/zinc/24/42/80/961244280.db2.gz SHKOKZAEDCGNCV-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(O)C=CNc1cnc2ccccn12 ZINC001203211230 961297218 /nfs/dbraw/zinc/29/72/18/961297218.db2.gz RUWVKXHGFLJKPS-VOTSOKGWSA-N 0 1 217.272 2.031 20 0 BEADMN C[C@H]1CCN1Cc1ccc2c(c1)OCCCO2 ZINC001142251445 961373553 /nfs/dbraw/zinc/37/35/53/961373553.db2.gz SJURNDDJJCGNQY-NSHDSACASA-N 0 1 233.311 2.442 20 0 BEADMN COCOCCc1nc2cc(C)cc(C)c2[nH]1 ZINC001250591511 1169787959 /nfs/dbraw/zinc/78/79/59/1169787959.db2.gz QIXIXEHOMPADEX-UHFFFAOYSA-N 0 1 234.299 2.343 20 0 BEADMN CNc1nc(Cl)ncc1CN(C)C(C)C ZINC001142473577 961444342 /nfs/dbraw/zinc/44/43/42/961444342.db2.gz PZVFMRQIGDBFIC-UHFFFAOYSA-N 0 1 228.727 2.012 20 0 BEADMN CCCOCCNc1cnccc1/C=C/N(C)C ZINC001167879951 961447722 /nfs/dbraw/zinc/44/77/22/961447722.db2.gz VFLDIUBPJAEWFN-RMKNXTFCSA-N 0 1 249.358 2.452 20 0 BEADMN CSc1cncc(NC(=O)c2[nH]cnc2C)c1 ZINC001142549493 961486967 /nfs/dbraw/zinc/48/69/67/961486967.db2.gz HBEPYZWHGGFHDB-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CCc1coc(CN[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167891639 961493843 /nfs/dbraw/zinc/49/38/43/961493843.db2.gz NESIGEUISHVFFT-DOFRTFSJSA-N 0 1 206.289 2.125 20 0 BEADMN Cc1cnc(CN2CCCC[C@](C)(O)C2)s1 ZINC001139808649 961667660 /nfs/dbraw/zinc/66/76/60/961667660.db2.gz ACUIRXAMMHTICH-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cnc(CN2CCCC[C@@](C)(O)C2)s1 ZINC001139808647 961667891 /nfs/dbraw/zinc/66/78/91/961667891.db2.gz ACUIRXAMMHTICH-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cc2c(cn1)[C@H](NC(=O)C(F)(F)F)CC2 ZINC001142771060 961726360 /nfs/dbraw/zinc/72/63/60/961726360.db2.gz QVEAFMNSYKRDPJ-SECBINFHSA-N 0 1 244.216 2.056 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1ccnc(N)n1 ZINC000087824700 961751928 /nfs/dbraw/zinc/75/19/28/961751928.db2.gz VXXZHZKLNITHAE-UWVGGRQHSA-N 0 1 220.320 2.297 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2cccc3nonc32)C1 ZINC001203125613 961811980 /nfs/dbraw/zinc/81/19/80/961811980.db2.gz AFZIUOKGRURGMV-ONGXEEELSA-N 0 1 249.289 2.403 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc2nonc21 ZINC001203127353 961857160 /nfs/dbraw/zinc/85/71/60/961857160.db2.gz JXNYZKGAYDOXNK-PSASIEDQSA-N 0 1 235.262 2.155 20 0 BEADMN CN1CCC[C@H](Oc2c(F)cccc2F)C1 ZINC001225206158 961866910 /nfs/dbraw/zinc/86/69/10/961866910.db2.gz JBPZEMXXPODOQT-VIFPVBQESA-N 0 1 227.254 2.438 20 0 BEADMN Cc1nc(C2CCN(Cc3ccoc3)CC2)no1 ZINC000092787892 961880332 /nfs/dbraw/zinc/88/03/32/961880332.db2.gz JVYYGNMXAPLWIE-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CC(C)c1ocnc1CNC1(CO)CCCC1 ZINC000092806031 961890158 /nfs/dbraw/zinc/89/01/58/961890158.db2.gz UNISKORRAWZPKQ-UHFFFAOYSA-N 0 1 238.331 2.193 20 0 BEADMN COc1cc(C)cc(C[N@H+]2CCCOCC2)c1 ZINC001143149264 961891118 /nfs/dbraw/zinc/89/11/18/961891118.db2.gz COHNJIZJKAPRGM-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN COc1cc(C)cc(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC001143156047 961892181 /nfs/dbraw/zinc/89/21/81/961892181.db2.gz CWGICGJPTMABHG-CYBMUJFWSA-N 0 1 248.370 2.140 20 0 BEADMN CCCOc1cccc(F)c1-n1cncc1N ZINC001211786306 961893152 /nfs/dbraw/zinc/89/31/52/961893152.db2.gz ZPOCPDKCHPZZQW-UHFFFAOYSA-N 0 1 235.262 2.382 20 0 BEADMN COc1cc(C)cc(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC001143156500 961894637 /nfs/dbraw/zinc/89/46/37/961894637.db2.gz KDSRWCBXPFHETP-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN FC[C@H]1CCCN1CCOc1ccccc1 ZINC000293084411 961896553 /nfs/dbraw/zinc/89/65/53/961896553.db2.gz PBIHVOUKWHEFQS-GFCCVEGCSA-N 0 1 223.291 2.499 20 0 BEADMN O=C(Nc1ccccc1)c1[nH]nc2ncccc21 ZINC001149393475 962072513 /nfs/dbraw/zinc/07/25/13/962072513.db2.gz KTWBFGYXIALGOL-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN C[C@@H](CCc1ccco1)Nc1ccnc(N)n1 ZINC000131233124 962271243 /nfs/dbraw/zinc/27/12/43/962271243.db2.gz ITBZBFSJGLCAEI-VIFPVBQESA-N 0 1 232.287 2.085 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000048013874 962310041 /nfs/dbraw/zinc/31/00/41/962310041.db2.gz ZIYLWZIKRMIDDZ-QWRGUYRKSA-N 0 1 233.315 2.062 20 0 BEADMN CC[C@H](C)NC(=O)c1nc2cccc(C)c2[nH]1 ZINC001151992826 962368563 /nfs/dbraw/zinc/36/85/63/962368563.db2.gz QOKGVYTYIDNYLO-VIFPVBQESA-N 0 1 231.299 2.400 20 0 BEADMN Nc1ccc(F)c(CN2CCCC2)c1F ZINC000389641012 962437324 /nfs/dbraw/zinc/43/73/24/962437324.db2.gz QMKLZTZUARTEMB-UHFFFAOYSA-N 0 1 212.243 2.143 20 0 BEADMN O=C(Nc1ccsc1)c1n[nH]c2cccnc21 ZINC001153145825 962540780 /nfs/dbraw/zinc/54/07/80/962540780.db2.gz SPNZKQOUQKVOGZ-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN COc1cccnc1CN1CC2CCC1CC2 ZINC001206650708 962672933 /nfs/dbraw/zinc/67/29/33/962672933.db2.gz VJLHHRAPTKWDNZ-UHFFFAOYSA-N 0 1 232.327 2.465 20 0 BEADMN N#C[C@@H](C(=O)C1CC1)c1cnc2ccccc2n1 ZINC000190956555 962799041 /nfs/dbraw/zinc/79/90/41/962799041.db2.gz SHUNHSKYVDLORV-SNVBAGLBSA-N 0 1 237.262 2.216 20 0 BEADMN CC(=CC(=O)Nc1c[nH]nn1)c1ccccc1C ZINC001154597292 962807390 /nfs/dbraw/zinc/80/73/90/962807390.db2.gz CVWIWWKMORPTKV-YFHOEESVSA-N 0 1 242.282 2.155 20 0 BEADMN CN(Cc1cc(Cl)ccc1N)[C@@H]1CCOC1 ZINC000134639309 962812317 /nfs/dbraw/zinc/81/23/17/962812317.db2.gz MBCPHINCWLJQOO-LLVKDONJSA-N 0 1 240.734 2.143 20 0 BEADMN c1cc([C@@H]2CN([C@H]3C[C@H]4C[C@H]4C3)CCO2)ccn1 ZINC001167958292 962823875 /nfs/dbraw/zinc/82/38/75/962823875.db2.gz ZETUOOJFZOKTJM-YJNKXOJESA-N 0 1 244.338 2.253 20 0 BEADMN CCc1coc(CNc2cc(OC)ccn2)n1 ZINC001154774008 962843850 /nfs/dbraw/zinc/84/38/50/962843850.db2.gz WGDCBFCWUYPKST-UHFFFAOYSA-N 0 1 233.271 2.253 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)cn1 ZINC000300145569 962985037 /nfs/dbraw/zinc/98/50/37/962985037.db2.gz VPADIVRMZQXZOI-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN COc1cccnc1CN(CC1CC1)C1CC1 ZINC001206655654 963076513 /nfs/dbraw/zinc/07/65/13/963076513.db2.gz DTUXPFQONVFENZ-UHFFFAOYSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@H](F)[C@H](O)C2)c1 ZINC001143580758 963171588 /nfs/dbraw/zinc/17/15/88/963171588.db2.gz VELPOHHPGDDQEW-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN CC(C)(NC(=O)c1cccc2cncn21)C1CC1 ZINC001155798469 963174048 /nfs/dbraw/zinc/17/40/48/963174048.db2.gz HCCNEMIQXMKBMQ-UHFFFAOYSA-N 0 1 243.310 2.253 20 0 BEADMN Cc1cnc(NCCc2cccc(O)c2)c(N)c1 ZINC001155866438 963190331 /nfs/dbraw/zinc/19/03/31/963190331.db2.gz PEFVDZRJISJORA-UHFFFAOYSA-N 0 1 243.310 2.332 20 0 BEADMN CC[C@@H](C)Nc1cc(O[C@H]2CCOC2)ccn1 ZINC001168004240 963249545 /nfs/dbraw/zinc/24/95/45/963249545.db2.gz VDSFNVRWVAGBSD-PWSUYJOCSA-N 0 1 236.315 2.460 20 0 BEADMN Cc1csc(CN2CC[C@@H](C(C)(C)O)C2)n1 ZINC000721805196 963265189 /nfs/dbraw/zinc/26/51/89/963265189.db2.gz VHLQATOTHLRRKA-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1ccnc(N[C@H]2CCN(C)C2)c1Cl ZINC001156580507 963396184 /nfs/dbraw/zinc/39/61/84/963396184.db2.gz MGSVEMPRJLRHHJ-VIFPVBQESA-N 0 1 225.723 2.159 20 0 BEADMN CCOC[C@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928475 963406979 /nfs/dbraw/zinc/40/69/79/963406979.db2.gz LUGUHVIWSSGHAL-VIFPVBQESA-N 0 1 220.272 2.367 20 0 BEADMN Cc1cnc(N2CCC(C(N)=S)CC2)cc1C ZINC001156807128 963466809 /nfs/dbraw/zinc/46/68/09/963466809.db2.gz RVNSPCXWMQVQRN-UHFFFAOYSA-N 0 1 249.383 2.201 20 0 BEADMN CCOc1ccnc(NCc2cc(C)n(C)n2)c1 ZINC001156947900 963498280 /nfs/dbraw/zinc/49/82/80/963498280.db2.gz SDMSZTJOOJGAHD-UHFFFAOYSA-N 0 1 246.314 2.134 20 0 BEADMN Cc1cc(CNc2ccc(C)c(C)n2)nn1C ZINC001156947994 963498344 /nfs/dbraw/zinc/49/83/44/963498344.db2.gz UILVKOKJKMRFDE-UHFFFAOYSA-N 0 1 230.315 2.352 20 0 BEADMN Cc1cc(CNc2ncc(C)cc2C)nn1C ZINC001156947587 963500108 /nfs/dbraw/zinc/50/01/08/963500108.db2.gz PILIYWZLQHZOEV-UHFFFAOYSA-N 0 1 230.315 2.352 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)c1ccncc1 ZINC001227599225 963540435 /nfs/dbraw/zinc/54/04/35/963540435.db2.gz UZVWLASQKHHCEL-MRVPVSSYSA-N 0 1 248.311 2.004 20 0 BEADMN Nc1cncn1-c1cc(F)nc(C(F)(F)F)c1 ZINC001213006836 963554426 /nfs/dbraw/zinc/55/44/26/963554426.db2.gz FPISAKDYZWMVHA-UHFFFAOYSA-N 0 1 246.167 2.007 20 0 BEADMN O=C([O-])CCCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382799161 963592729 /nfs/dbraw/zinc/59/27/29/963592729.db2.gz JQRXPVNLGRJHFW-TXEJJXNPSA-N 0 1 223.316 2.139 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1=CCCC1 ZINC001157396546 963592705 /nfs/dbraw/zinc/59/27/05/963592705.db2.gz OKRHFDNLLYCUQD-UHFFFAOYSA-N 0 1 227.267 2.383 20 0 BEADMN CC[C@@H](SC)C(=O)Nc1ccc2cncn2c1 ZINC001157395782 963595558 /nfs/dbraw/zinc/59/55/58/963595558.db2.gz DDOYKRQNRBXNJG-LLVKDONJSA-N 0 1 249.339 2.414 20 0 BEADMN CC(=O)[C@H](N[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001168077480 963617266 /nfs/dbraw/zinc/61/72/66/963617266.db2.gz ISCICZGAGIAJAX-CQDKDKBSSA-N 0 1 247.338 2.474 20 0 BEADMN CC(=O)[C@H](N[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001168077483 963617775 /nfs/dbraw/zinc/61/77/75/963617775.db2.gz ISCICZGAGIAJAX-GLQYFDAESA-N 0 1 247.338 2.474 20 0 BEADMN CCOc1ccnc(NCc2ccc(=O)[nH]c2)c1 ZINC001157511849 963639285 /nfs/dbraw/zinc/63/92/85/963639285.db2.gz JJGRGPBCVGXVEN-UHFFFAOYSA-N 0 1 245.282 2.193 20 0 BEADMN Cc1ccnc(NC[C@H]2CC(C)(C)O2)c1 ZINC001157654635 963692734 /nfs/dbraw/zinc/69/27/34/963692734.db2.gz LIKOZOKYEWLPGG-SNVBAGLBSA-N 0 1 206.289 2.369 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2n[nH]c3cccnc32)o1 ZINC001256636521 1169829860 /nfs/dbraw/zinc/82/98/60/1169829860.db2.gz XUQCIFOOVHYTIS-BQBZGAKWSA-N 0 1 241.254 2.131 20 0 BEADMN CCCOC[C@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228479126 963823366 /nfs/dbraw/zinc/82/33/66/963823366.db2.gz ADKJBGYQOFTEMP-ZETCQYMHSA-N 0 1 246.694 2.030 20 0 BEADMN C[C@H]1C[C@H](N(C)Cc2nccs2)CCO1 ZINC001168136913 963833396 /nfs/dbraw/zinc/83/33/96/963833396.db2.gz MABDXRWCWHFENA-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN CN1CCC[C@@H](Oc2cc(Cl)cnc2F)C1 ZINC001228573779 963861561 /nfs/dbraw/zinc/86/15/61/963861561.db2.gz ZJKZNDHSXIHEPD-SECBINFHSA-N 0 1 244.697 2.347 20 0 BEADMN Cn1cncc1Nc1ccnc(OCC2CC2)c1 ZINC001213015211 963903376 /nfs/dbraw/zinc/90/33/76/963903376.db2.gz JEJXQUUUCQVUFS-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN Cc1cnc(NCc2ncccc2O)c(C)c1 ZINC001158774820 963924397 /nfs/dbraw/zinc/92/43/97/963924397.db2.gz RBPOZZJRSXNURC-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN COC[C@H](C[N@@H+](CCC(=O)[O-])C(C)C)C(C)C ZINC000721861147 963936284 /nfs/dbraw/zinc/93/62/84/963936284.db2.gz SESPHPVTTOHKIG-LBPRGKRZSA-N 0 1 245.363 2.090 20 0 BEADMN F[C@H]1C[C@H](CNc2ccc3c(n2)NCCO3)C1 ZINC001168238524 964032738 /nfs/dbraw/zinc/03/27/38/964032738.db2.gz HYVWZLKPTXXXSZ-KYZUINATSA-N 0 1 237.278 2.046 20 0 BEADMN COC(C)(CNc1cc(C)c(C)cn1)OC ZINC001159383094 964072561 /nfs/dbraw/zinc/07/25/61/964072561.db2.gz ZDLIAUAEEFOYIQ-UHFFFAOYSA-N 0 1 224.304 2.119 20 0 BEADMN CCC=CNc1nc(Cl)nc2[nH]cnc21 ZINC001159662166 964139003 /nfs/dbraw/zinc/13/90/03/964139003.db2.gz IWJOCFBUAFZJQU-ONEGZZNKSA-N 0 1 223.667 2.294 20 0 BEADMN FC(F)Oc1cccc(Nc2nnco2)c1 ZINC001212053676 964174970 /nfs/dbraw/zinc/17/49/70/964174970.db2.gz FTIHAQMTZXZYMJ-UHFFFAOYSA-N 0 1 227.170 2.415 20 0 BEADMN CC[C@](N)(CO)Nc1nccc2c(C)cccc21 ZINC001159744611 964177219 /nfs/dbraw/zinc/17/72/19/964177219.db2.gz UDZNCBUWXROGLM-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@](N)(CO)Nc1nccc2cccc(C)c21 ZINC001159748182 964181617 /nfs/dbraw/zinc/18/16/17/964181617.db2.gz LBNFZDWEPOCQJI-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN c1cc(CN2CC[C@@H](Oc3cccnc3)C2)co1 ZINC000093691628 964247219 /nfs/dbraw/zinc/24/72/19/964247219.db2.gz XVJZJLWQZHTNFX-CQSZACIVSA-N 0 1 244.294 2.328 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(C)c(F)c(F)c2)C1 ZINC001143597499 964338628 /nfs/dbraw/zinc/33/86/28/964338628.db2.gz REXBOBBNUXXRKO-LLVKDONJSA-N 0 1 241.281 2.494 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCOC[C@H]1C1CC1 ZINC001256751516 1169837578 /nfs/dbraw/zinc/83/75/78/1169837578.db2.gz YDMVLESUQIJJMU-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN CC(C)N1CC(Nc2ccc3[nH]ccc3n2)C1 ZINC001168311762 964411368 /nfs/dbraw/zinc/41/13/68/964411368.db2.gz NNCVTGASVUPJRY-UHFFFAOYSA-N 0 1 230.315 2.067 20 0 BEADMN Cc1ccc(C)c(NC2CN(C(C)C)C2)n1 ZINC001168311554 964411401 /nfs/dbraw/zinc/41/14/01/964411401.db2.gz AZGLXGVEINKELB-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN CC(C)N1CC(Nc2ccc3cnoc3c2)C1 ZINC001168315133 964426766 /nfs/dbraw/zinc/42/67/66/964426766.db2.gz GIUCSNDFUJIMSK-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN COCc1ccc(NC2CN(C(C)C)C2)cc1 ZINC001168316035 964438459 /nfs/dbraw/zinc/43/84/59/964438459.db2.gz STWZLMYVGPLWIV-UHFFFAOYSA-N 0 1 234.343 2.338 20 0 BEADMN CCC1(Nc2cc(OCC3CC3)ccn2)COC1 ZINC001168322578 964445968 /nfs/dbraw/zinc/44/59/68/964445968.db2.gz ZFJBNUGJONIJAL-UHFFFAOYSA-N 0 1 248.326 2.461 20 0 BEADMN CCC1(CNc2cncc3nc(C)[nH]c32)COC1 ZINC001168330009 964466521 /nfs/dbraw/zinc/46/65/21/964466521.db2.gz AIFLRLOIBYCLTP-UHFFFAOYSA-N 0 1 246.314 2.105 20 0 BEADMN CCC1(CNc2ccc3nc(C)[nH]c3n2)COC1 ZINC001168332184 964466856 /nfs/dbraw/zinc/46/68/56/964466856.db2.gz IYNSNQZMVFCPIV-UHFFFAOYSA-N 0 1 246.314 2.105 20 0 BEADMN Cc1noc(C2(Nc3ccc(C)c(C)n3)CC2)n1 ZINC001161307969 964567060 /nfs/dbraw/zinc/56/70/60/964567060.db2.gz WXALVUWZOIIHCD-UHFFFAOYSA-N 0 1 244.298 2.491 20 0 BEADMN Cc1noc(C2(Nc3cc(C)c(C)cn3)CC2)n1 ZINC001161312649 964569857 /nfs/dbraw/zinc/56/98/57/964569857.db2.gz SDFMOLJYEDDLAE-UHFFFAOYSA-N 0 1 244.298 2.491 20 0 BEADMN CC(C)(C)CCCCCC(=O)N1CCNC1 ZINC001161417393 964595255 /nfs/dbraw/zinc/59/52/55/964595255.db2.gz UMCFIUHFZNOBNP-UHFFFAOYSA-N 0 1 226.364 2.372 20 0 BEADMN CCC1CCC(N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001256874507 1169845112 /nfs/dbraw/zinc/84/51/12/1169845112.db2.gz CNRRNYSYZADOJR-HIFPTAJRSA-N 0 1 238.375 2.118 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CC2CCN1CC2 ZINC001142624145 964708996 /nfs/dbraw/zinc/70/89/96/964708996.db2.gz JHWJLZGATWBRTH-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc2cc[nH]c2c(N[C@@H](CO)C(C)C)n1 ZINC001161737684 964723055 /nfs/dbraw/zinc/72/30/55/964723055.db2.gz SIOHKAMWPKMRLD-NSHDSACASA-N 0 1 233.315 2.300 20 0 BEADMN Cc1nc2cc(Nc3nonc3N)ccc2s1 ZINC001213035352 964738860 /nfs/dbraw/zinc/73/88/60/964738860.db2.gz HBEPKVLBWNFGAY-UHFFFAOYSA-N 0 1 247.283 2.314 20 0 BEADMN CC(C)C1(C(=O)N[C@H]2CCCN(C)C2)CCC1 ZINC001142654366 964755204 /nfs/dbraw/zinc/75/52/04/964755204.db2.gz NKFZZENQAVGESH-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(NC2CC2)nc(NCC(F)F)n1 ZINC001161807760 964764305 /nfs/dbraw/zinc/76/43/05/964764305.db2.gz ODFBDFRYPUQVON-UHFFFAOYSA-N 0 1 228.246 2.036 20 0 BEADMN Cc1cc2nccn2cc1NCC(F)F ZINC001161813426 964767496 /nfs/dbraw/zinc/76/74/96/964767496.db2.gz DJBVVRXGPGDVSH-UHFFFAOYSA-N 0 1 211.215 2.320 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000250211630 964812858 /nfs/dbraw/zinc/81/28/58/964812858.db2.gz MBEAXQPXXWESDH-RNCFNFMXSA-N 0 1 249.285 2.220 20 0 BEADMN CCCCNc1ccc2nc(C)[nH]c2n1 ZINC001162204276 964865077 /nfs/dbraw/zinc/86/50/77/964865077.db2.gz XGILGOJQPFTFCV-UHFFFAOYSA-N 0 1 204.277 2.478 20 0 BEADMN CCc1nc(C)cc(NC2CN(C(C)(C)C)C2)n1 ZINC001162225361 964879546 /nfs/dbraw/zinc/87/95/46/964879546.db2.gz GIRFJGMBRKNNMM-UHFFFAOYSA-N 0 1 248.374 2.242 20 0 BEADMN CCOc1cccc(NC2CN(C(C)(C)C)C2)n1 ZINC001162220792 964880874 /nfs/dbraw/zinc/88/08/74/964880874.db2.gz AQCHTWLMFRWMFC-UHFFFAOYSA-N 0 1 249.358 2.375 20 0 BEADMN CCCc1ccc(NC2CN(C(C)(C)C)C2)nn1 ZINC001162226509 964884248 /nfs/dbraw/zinc/88/42/48/964884248.db2.gz UNUXCEXNXDEFGN-UHFFFAOYSA-N 0 1 248.374 2.324 20 0 BEADMN Cc1nc2cncc(NCc3cnoc3C)c2[nH]1 ZINC001162274996 964900104 /nfs/dbraw/zinc/90/01/04/964900104.db2.gz SDTVWTMPMQYUPV-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1cnc(NC[C@H](O)c2ccncc2)c(C)c1 ZINC001162547169 965035277 /nfs/dbraw/zinc/03/52/77/965035277.db2.gz IWBQBELZQMWCGG-ZDUSSCGKSA-N 0 1 243.310 2.239 20 0 BEADMN Cc1ccc(C)c(CN(C)CC[S@@](C)=O)c1 ZINC000829227091 965039264 /nfs/dbraw/zinc/03/92/64/965039264.db2.gz FYUSEHPSCCQXNE-MRXNPFEDSA-N 0 1 239.384 2.114 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc2ocnc21)N(C)C ZINC000913507028 965056869 /nfs/dbraw/zinc/05/68/69/965056869.db2.gz KYCGZAVMRZLYHF-JTQLQIEISA-N 0 1 247.298 2.107 20 0 BEADMN Cc1cnc(NCc2cnc(Cl)cn2)c(N)c1 ZINC001162653213 965087995 /nfs/dbraw/zinc/08/79/95/965087995.db2.gz PYLYMJNPLSQXHL-UHFFFAOYSA-N 0 1 249.705 2.028 20 0 BEADMN CC(C)(C)C(=N)Nc1cc(N)c(F)cn1 ZINC001162662182 965100375 /nfs/dbraw/zinc/10/03/75/965100375.db2.gz PVWKMCFVZKPBKK-UHFFFAOYSA-N 0 1 210.256 2.238 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1C=CCC1 ZINC000698236435 965126047 /nfs/dbraw/zinc/12/60/47/965126047.db2.gz WGRNCDZUTFFLLJ-LLVKDONJSA-N 0 1 205.305 2.272 20 0 BEADMN Fc1ccc2c(c1)CC[C@@H](NCc1ncco1)C2 ZINC001168396723 965154653 /nfs/dbraw/zinc/15/46/53/965154653.db2.gz IEBVHFWYZNLPTH-CYBMUJFWSA-N 0 1 246.285 2.461 20 0 BEADMN CSCCCCCNCc1nnc(C)s1 ZINC000698301185 965192399 /nfs/dbraw/zinc/19/23/99/965192399.db2.gz UYUMISMRZBDWBT-UHFFFAOYSA-N 0 1 245.417 2.469 20 0 BEADMN NCc1nccn1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168401398 965209421 /nfs/dbraw/zinc/20/94/21/965209421.db2.gz VGKTZMCXPXCJAA-CYBMUJFWSA-N 0 1 245.301 2.211 20 0 BEADMN CCOc1ccnc(NCC2CC(OC)C2)c1 ZINC001162991939 965223491 /nfs/dbraw/zinc/22/34/91/965223491.db2.gz YLPVDJGPBZXBON-UHFFFAOYSA-N 0 1 236.315 2.317 20 0 BEADMN CC[C@H](CO)Nc1cc(OC(C)C)ccn1 ZINC001163045657 965248316 /nfs/dbraw/zinc/24/83/16/965248316.db2.gz SVIJGJDLFZKHAD-SNVBAGLBSA-N 0 1 224.304 2.052 20 0 BEADMN CN(CCc1cccnc1)Cc1cnsc1 ZINC001232230636 965317895 /nfs/dbraw/zinc/31/78/95/965317895.db2.gz QLXQEUUXDMLZEW-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN Fc1ccnc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001232495300 965369582 /nfs/dbraw/zinc/36/95/82/965369582.db2.gz VYSSGECRVAFUEQ-UWJYBYFXSA-N 0 1 224.254 2.153 20 0 BEADMN Fc1ccnc(CN2C3CCC2CC3)c1 ZINC001232495695 965371335 /nfs/dbraw/zinc/37/13/35/965371335.db2.gz GIFCDXBSDNWKSP-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1(C)CC1 ZINC001120806536 965419431 /nfs/dbraw/zinc/41/94/31/965419431.db2.gz YAAWORVSVTXJIN-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cnc(N2CCCC[C@H]2CO)cc1C ZINC001163559454 965450785 /nfs/dbraw/zinc/45/07/85/965450785.db2.gz QJOPVQCNSJRCAG-LBPRGKRZSA-N 0 1 220.316 2.050 20 0 BEADMN C[C@@H]1COCCN1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168427717 965460796 /nfs/dbraw/zinc/46/07/96/965460796.db2.gz PVTLABMTCXEBNO-IAQYHMDHSA-N 0 1 249.329 2.404 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168430363 965475835 /nfs/dbraw/zinc/47/58/35/965475835.db2.gz YNOZZIKOZVSRIS-CQSZACIVSA-N 0 1 235.302 2.204 20 0 BEADMN CCCO[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC001233311933 965487575 /nfs/dbraw/zinc/48/75/75/965487575.db2.gz PINPZSZMWJFVMW-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN COc1ccc(C[N@@H+](C)C/C=C(/C)C(=O)[O-])cc1 ZINC000088630468 965508363 /nfs/dbraw/zinc/50/83/63/965508363.db2.gz AOETZSSBPNHYME-FLIBITNWSA-N 0 1 249.310 2.158 20 0 BEADMN CCc1cc(N[C@H](C)CCC(=O)[O-])nc(C)[nH+]1 ZINC000088759876 965546438 /nfs/dbraw/zinc/54/64/38/965546438.db2.gz ASQNXMKGGUXYTQ-MRVPVSSYSA-N 0 1 237.303 2.013 20 0 BEADMN Clc1cc2[nH]cnc2nc1N1CCCCO1 ZINC001163927298 965636692 /nfs/dbraw/zinc/63/66/92/965636692.db2.gz LKEUKALLQIYHAE-UHFFFAOYSA-N 0 1 238.678 2.143 20 0 BEADMN Clc1cc(N2CCCCO2)c2[nH]cnc2n1 ZINC001163926877 965638066 /nfs/dbraw/zinc/63/80/66/965638066.db2.gz BJMHUDDGTUFTHF-UHFFFAOYSA-N 0 1 238.678 2.143 20 0 BEADMN CCOc1ccnc(N2CC(F)(C3CC3)C2)c1 ZINC001163967918 965664741 /nfs/dbraw/zinc/66/47/41/965664741.db2.gz IYODFUZSXPTROZ-UHFFFAOYSA-N 0 1 236.290 2.419 20 0 BEADMN CN(C)c1cccc(N2CC(F)(C3CC3)C2)n1 ZINC001163967883 965667258 /nfs/dbraw/zinc/66/72/58/965667258.db2.gz IGKSRRSATLSKFZ-UHFFFAOYSA-N 0 1 235.306 2.086 20 0 BEADMN Cc1cc(NCC(=O)C(C)(C)C)nc2nc[nH]c21 ZINC001164000698 965688162 /nfs/dbraw/zinc/68/81/62/965688162.db2.gz UJYRBBUHMHWWTK-UHFFFAOYSA-N 0 1 246.314 2.293 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)n1ccnc1CN ZINC001168453229 965750075 /nfs/dbraw/zinc/75/00/75/965750075.db2.gz BDQIECGMKVVVNE-JTQLQIEISA-N 0 1 233.290 2.285 20 0 BEADMN CNc1ccc(CNc2cccc(=O)n2C)cc1 ZINC001164153908 965765598 /nfs/dbraw/zinc/76/55/98/965765598.db2.gz FBLMHLJDWFHWGR-UHFFFAOYSA-N 0 1 243.310 2.039 20 0 BEADMN Cc1cc(C)nc(N2C[C@@H](F)[C@H](F)C2)c1 ZINC001164209442 965797580 /nfs/dbraw/zinc/79/75/80/965797580.db2.gz BHXYZVRJEWCKKV-NXEZZACHSA-N 0 1 212.243 2.195 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@H](O)[C@H](C)C2)c1 ZINC001164216521 965800827 /nfs/dbraw/zinc/80/08/27/965800827.db2.gz JCPPAKNXTYOFIJ-YPMHNXCESA-N 0 1 234.343 2.296 20 0 BEADMN Cc1cc2cc[nH]c2c(NCC2(CO)CCC2)n1 ZINC001164357489 965855234 /nfs/dbraw/zinc/85/52/34/965855234.db2.gz GMUBENAHBYDSPY-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN CCOc1cccc(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000032104348 965860476 /nfs/dbraw/zinc/86/04/76/965860476.db2.gz GOVJYYKMEWJQRP-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC[C@H]1Cc2ccccc2CN1Cc1nnc[nH]1 ZINC001261639031 1169879043 /nfs/dbraw/zinc/87/90/43/1169879043.db2.gz SSLFJEIKGKQFCX-ZDUSSCGKSA-N 0 1 242.326 2.142 20 0 BEADMN CC(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001164414871 965877653 /nfs/dbraw/zinc/87/76/53/965877653.db2.gz VSBHMBIGPRNOCF-UHFFFAOYSA-N 0 1 227.267 2.206 20 0 BEADMN CCc1cc(CN2CCC(CF)CC2)on1 ZINC001203224894 965891040 /nfs/dbraw/zinc/89/10/40/965891040.db2.gz GGMZDQZSVUTUGN-UHFFFAOYSA-N 0 1 226.295 2.419 20 0 BEADMN CC[C@@H]1COC[C@H]1N[C@@H](C)c1cscn1 ZINC000699474134 965899851 /nfs/dbraw/zinc/89/98/51/965899851.db2.gz UMAUPFWNHLSWAZ-IVZWLZJFSA-N 0 1 226.345 2.219 20 0 BEADMN CCc1cc(CN2C3CCC2CC3)on1 ZINC001203225935 965920242 /nfs/dbraw/zinc/92/02/42/965920242.db2.gz ZQQPIDPTIWMYME-UHFFFAOYSA-N 0 1 206.289 2.364 20 0 BEADMN CCN(CC)C(=O)[C@H](C)Nc1nc(C)ccc1C ZINC001164605845 965934811 /nfs/dbraw/zinc/93/48/11/965934811.db2.gz JAFJUJFWTKDYEY-LBPRGKRZSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(C[N@H+]2CCC[C@@H](OC)CC2)on1 ZINC001203226683 965986996 /nfs/dbraw/zinc/98/69/96/965986996.db2.gz RFGCESLVLIREKL-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN COc1ccnc(N2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001165294231 966036691 /nfs/dbraw/zinc/03/66/91/966036691.db2.gz WTANIGINPKTTCW-SCZZXKLOSA-N 0 1 240.253 2.182 20 0 BEADMN CCC(C)(C)COC(=O)c1[nH]cnc1C ZINC001263392906 1169883117 /nfs/dbraw/zinc/88/31/17/1169883117.db2.gz KONOHQAVFFSFHN-UHFFFAOYSA-N 0 1 210.277 2.311 20 0 BEADMN Cc1c2nc[nH]c2ccc1N[C@@H](C)CCO ZINC001165904865 966200438 /nfs/dbraw/zinc/20/04/38/966200438.db2.gz KYABCDMRZWPDAY-QMMMGPOBSA-N 0 1 219.288 2.054 20 0 BEADMN COCC(C)(C)Nc1ccnc2c1ccn2C ZINC001166049397 966236620 /nfs/dbraw/zinc/23/66/20/966236620.db2.gz ATXSKXVMIVMKPY-UHFFFAOYSA-N 0 1 233.315 2.410 20 0 BEADMN c1nc2cc[nH]c(C3=CCSCC3)c-2n1 ZINC001236362507 966377555 /nfs/dbraw/zinc/37/75/55/966377555.db2.gz TVAAWEQJGASUOG-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN c1nc2c(ccnc2C2=CCSCC2)[nH]1 ZINC001236362507 966377561 /nfs/dbraw/zinc/37/75/61/966377561.db2.gz TVAAWEQJGASUOG-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN Cc1cnc(N2CCC[C@H](CCO)C2)cc1C ZINC001166848458 966430207 /nfs/dbraw/zinc/43/02/07/966430207.db2.gz FSNIWDLVKAYMAX-CYBMUJFWSA-N 0 1 234.343 2.297 20 0 BEADMN Nc1cc(Nc2ccnc(CO)c2)ccc1F ZINC001212332624 966494105 /nfs/dbraw/zinc/49/41/05/966494105.db2.gz XKKOLQYAXVQLQS-UHFFFAOYSA-N 0 1 233.246 2.039 20 0 BEADMN CCC(=O)NC[C@@H]1c2ccccc2CCN1CC ZINC001485004808 966534562 /nfs/dbraw/zinc/53/45/62/966534562.db2.gz MRAXWBBKMBYSKY-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN CCCOC1CCN(Cc2cncc(C)n2)CC1 ZINC001203171070 966538730 /nfs/dbraw/zinc/53/87/30/966538730.db2.gz SJDYQDFQRDJHFA-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN CCc1cc(CN2CC[C@@H](OC)C[C@@H]2C)on1 ZINC001203232140 966569485 /nfs/dbraw/zinc/56/94/85/966569485.db2.gz PULAMJPPDXMRKM-CMPLNLGQSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1cc(CN2CCC[C@@H](CF)C2)on1 ZINC001203225292 966569622 /nfs/dbraw/zinc/56/96/22/966569622.db2.gz NLIIFRSKEXAEAQ-JTQLQIEISA-N 0 1 226.295 2.419 20 0 BEADMN O[C@H]1CCN(Cc2ccccc2F)CC[C@@H]1F ZINC001203345918 966609738 /nfs/dbraw/zinc/60/97/38/966609738.db2.gz BVUFAFSRYZRUTE-STQMWFEESA-N 0 1 241.281 2.121 20 0 BEADMN CC(C)C1(C[N@@H+](C)C[C@H](C)C(=O)[O-])CC1 ZINC000687539044 966641714 /nfs/dbraw/zinc/64/17/14/966641714.db2.gz CNLYYYFBLRAIDO-JTQLQIEISA-N 0 1 213.321 2.075 20 0 BEADMN COc1ccccc1C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001203437770 966648761 /nfs/dbraw/zinc/64/87/61/966648761.db2.gz KLOSXINPPJKCJO-UXIGCNINSA-N 0 1 247.338 2.162 20 0 BEADMN Cc1cc(CNc2ccc3cn[nH]c3c2)n[nH]1 ZINC001203479090 966663019 /nfs/dbraw/zinc/66/30/19/966663019.db2.gz OONCYAROPHPJAM-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN Cc1cc(CNc2ccc3c[nH]nc3c2)[nH]n1 ZINC001203479090 966663040 /nfs/dbraw/zinc/66/30/40/966663040.db2.gz OONCYAROPHPJAM-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN CCOc1ccccc1CN1CC=CC1 ZINC001203535614 966675128 /nfs/dbraw/zinc/67/51/28/966675128.db2.gz ZTDGJHYDPSJLGV-UHFFFAOYSA-N 0 1 203.285 2.457 20 0 BEADMN Cc1cn[nH]c1CNc1c[nH]nc1C(F)(F)F ZINC001203715202 966740311 /nfs/dbraw/zinc/74/03/11/966740311.db2.gz NMEKRMPUMVSIMW-UHFFFAOYSA-N 0 1 245.208 2.072 20 0 BEADMN Cc1ccccc1CN1CCc2nn(C)cc2C1 ZINC001203707027 966745406 /nfs/dbraw/zinc/74/54/06/966745406.db2.gz YYTWWFRQXHRQMT-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN Fc1cccc(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001203785306 966778834 /nfs/dbraw/zinc/77/88/34/966778834.db2.gz NZENAIVKVPHYGH-CHWSQXEVSA-N 0 1 221.275 2.189 20 0 BEADMN CO[C@H](C)C1CN(Cc2cccc(F)c2)C1 ZINC001203788057 966780994 /nfs/dbraw/zinc/78/09/94/966780994.db2.gz FGUKCJPNIKEFIW-SNVBAGLBSA-N 0 1 223.291 2.292 20 0 BEADMN COc1cccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001203822208 966787200 /nfs/dbraw/zinc/78/72/00/966787200.db2.gz FYYZWHULJFXBHZ-BETUJISGSA-N 0 1 245.322 2.106 20 0 BEADMN FC(F)[C@H]1CCCN(Cc2ccc[nH]2)C1 ZINC001204009736 966846713 /nfs/dbraw/zinc/84/67/13/966846713.db2.gz FWAAANLNZPNSCV-VIFPVBQESA-N 0 1 214.259 2.492 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ccccc23)CCO1 ZINC001204042541 966863011 /nfs/dbraw/zinc/86/30/11/966863011.db2.gz RDWNABSWNNCIQV-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN OC[C@@]1(F)CCN(Cc2c[nH]c3ccccc23)C1 ZINC001204041710 966864323 /nfs/dbraw/zinc/86/43/23/966864323.db2.gz XBDGYXWPDIOMOJ-CQSZACIVSA-N 0 1 248.301 2.074 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC001204051156 966871732 /nfs/dbraw/zinc/87/17/32/966871732.db2.gz JCPVDGYQTSRQKL-SECBINFHSA-N 0 1 205.257 2.010 20 0 BEADMN C[C@@H]1CCN1Cc1ccc2c(c1)OCO2 ZINC001204051156 966871735 /nfs/dbraw/zinc/87/17/35/966871735.db2.gz JCPVDGYQTSRQKL-SECBINFHSA-N 0 1 205.257 2.010 20 0 BEADMN Cc1cccc(CN2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001204067247 966875327 /nfs/dbraw/zinc/87/53/27/966875327.db2.gz QARVDWNFRCNQIG-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN Cc1cccc(CN2CC3(C2)CCCOC3)n1 ZINC001204067518 966875762 /nfs/dbraw/zinc/87/57/62/966875762.db2.gz VLOVDIKVZGXXKQ-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1cccc(CN2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001204067083 966876373 /nfs/dbraw/zinc/87/63/73/966876373.db2.gz KRUSUYIIQNWTDR-ZFWWWQNUSA-N 0 1 246.354 2.391 20 0 BEADMN CC[N@H+]1CCN(Cc2cccc(C)n2)C(C)(C)C1 ZINC001204071659 966878790 /nfs/dbraw/zinc/87/87/90/966878790.db2.gz XWYJVRPDGNVOTK-UHFFFAOYSA-N 0 1 247.386 2.306 20 0 BEADMN Cc1nc2cncc(N[C@@H](CO)C(C)(C)C)c2[nH]1 ZINC001168562616 966880897 /nfs/dbraw/zinc/88/08/97/966880897.db2.gz QJSZXJFKZOPKHI-NSHDSACASA-N 0 1 248.330 2.085 20 0 BEADMN c1ccc2c(CN3CC4(COC4)C3)ccnc2c1 ZINC001204085088 966890688 /nfs/dbraw/zinc/89/06/88/966890688.db2.gz FIGLTWPCKKLFNL-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN O[C@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC001204193603 966922164 /nfs/dbraw/zinc/92/21/64/966922164.db2.gz PSDFYOXQTYUWFL-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN O[C@@H]1CCCCN(Cc2ccc(F)c(F)c2)C1 ZINC001204223380 966930834 /nfs/dbraw/zinc/93/08/34/966930834.db2.gz HFVJVJXVEGIWHO-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2ccc(F)c(F)c2)C1 ZINC001204224284 966930932 /nfs/dbraw/zinc/93/09/32/966930932.db2.gz RUCBVGXIPMNJCJ-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN c1cc(CN2CC[C@H]3CCCO[C@H]3C2)co1 ZINC001204242003 966934747 /nfs/dbraw/zinc/93/47/47/966934747.db2.gz ORPQVALHOMCQAB-OLZOCXBDSA-N 0 1 221.300 2.281 20 0 BEADMN Nc1cncn1-c1c2cc[nH]c2ccc1F ZINC001204254095 966947177 /nfs/dbraw/zinc/94/71/77/966947177.db2.gz GMYCHGKJHXCDEJ-UHFFFAOYSA-N 0 1 216.219 2.075 20 0 BEADMN Cc1csc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)n1 ZINC001204374221 966987168 /nfs/dbraw/zinc/98/71/68/966987168.db2.gz DXQBBXKQCHKGHK-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CCC[C@H](O)[C@@H](C)C2)n1 ZINC001204374221 966987177 /nfs/dbraw/zinc/98/71/77/966987177.db2.gz DXQBBXKQCHKGHK-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN FC(F)Oc1ccc(CN2CCC2)cc1 ZINC001204419450 966996407 /nfs/dbraw/zinc/99/64/07/966996407.db2.gz ZQXNFJOJYRHWSK-UHFFFAOYSA-N 0 1 213.227 2.494 20 0 BEADMN Clc1ccc(CN2CCN3CC[C@H]3C2)s1 ZINC001204448152 967000610 /nfs/dbraw/zinc/00/06/10/967000610.db2.gz QSJKJBFOYYZURR-VIFPVBQESA-N 0 1 242.775 2.291 20 0 BEADMN COCC1CN(Cc2cccc(F)c2C)C1 ZINC001204507379 967011512 /nfs/dbraw/zinc/01/15/12/967011512.db2.gz WGFJRGVYLLKCMA-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN Cc1c(F)cccc1CN1CCN(C2CC2)CC1 ZINC001204506283 967011746 /nfs/dbraw/zinc/01/17/46/967011746.db2.gz HKFJAWQWRDFITA-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001204506849 967013234 /nfs/dbraw/zinc/01/32/34/967013234.db2.gz NHTIDWDNRJJRMJ-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cc(CN2CCN(C(C)C)CC2)oc1C ZINC001204532066 967029833 /nfs/dbraw/zinc/02/98/33/967029833.db2.gz RBDQRELJGBWAJS-UHFFFAOYSA-N 0 1 236.359 2.422 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)oc1C ZINC001204535646 967033955 /nfs/dbraw/zinc/03/39/55/967033955.db2.gz WJLXLCJDHPREQR-CYBMUJFWSA-N 0 1 223.316 2.243 20 0 BEADMN C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759178 967049359 /nfs/dbraw/zinc/04/93/59/967049359.db2.gz HYWQVZHAJQFPTQ-ZETCQYMHSA-N 0 1 241.237 2.257 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759178 967049374 /nfs/dbraw/zinc/04/93/74/967049374.db2.gz HYWQVZHAJQFPTQ-ZETCQYMHSA-N 0 1 241.237 2.257 20 0 BEADMN CC(=O)C1CCN(Cc2cccc(O)c2)CC1 ZINC000094680190 967061997 /nfs/dbraw/zinc/06/19/97/967061997.db2.gz VURAJGUYQLGLJZ-UHFFFAOYSA-N 0 1 233.311 2.193 20 0 BEADMN CCOC(=O)[C@@H](C)c1ccc2nc[nH]c2c1 ZINC001249856371 967097097 /nfs/dbraw/zinc/09/70/97/967097097.db2.gz VXMPJWLVLZDPHI-QMMMGPOBSA-N 0 1 218.256 2.230 20 0 BEADMN COC(=O)c1cccc(CN2CC[C@H]2C)c1 ZINC001204642541 967116798 /nfs/dbraw/zinc/11/67/98/967116798.db2.gz PGOWWZMAYIYWLF-SNVBAGLBSA-N 0 1 219.284 2.067 20 0 BEADMN COc1cccc(C(=O)Cc2cn[nH]c2C)c1 ZINC001249899901 967136858 /nfs/dbraw/zinc/13/68/58/967136858.db2.gz JJQCJQVHFWEXTI-UHFFFAOYSA-N 0 1 230.267 2.152 20 0 BEADMN CCC(=O)Cc1ccc2n[nH]c(C)c2c1 ZINC001249921609 967165835 /nfs/dbraw/zinc/16/58/35/967165835.db2.gz PAFKDYMGZOUKFV-UHFFFAOYSA-N 0 1 202.257 2.393 20 0 BEADMN c1ccc2[nH]c(CN3CC4CC(C4)C3)nc2c1 ZINC001204800000 967178763 /nfs/dbraw/zinc/17/87/63/967178763.db2.gz NQNZTZLJOXSOFI-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN Cc1ccc(C(=O)CO[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001204824930 967184852 /nfs/dbraw/zinc/18/48/52/967184852.db2.gz IXOCDXDDIHWWBL-CQSZACIVSA-N 0 1 247.338 2.289 20 0 BEADMN Cc1ccc(C(=O)CO[C@@H]2CCCN(C)C2)cc1 ZINC001204824930 967184860 /nfs/dbraw/zinc/18/48/60/967184860.db2.gz IXOCDXDDIHWWBL-CQSZACIVSA-N 0 1 247.338 2.289 20 0 BEADMN [O-]c1cc(Nc2cc[nH+]cc2)c(F)c(F)c1F ZINC001249957687 967200848 /nfs/dbraw/zinc/20/08/48/967200848.db2.gz FGPJGDOUBLFEDG-UHFFFAOYSA-N 0 1 240.184 2.370 20 0 BEADMN COc1ccc(-c2cc3c(nn2)CNC3)c(C)c1 ZINC001239825282 967221381 /nfs/dbraw/zinc/22/13/81/967221381.db2.gz ABDRNOZKIPYDKE-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CCOc1cc(CN2CCC(F)CC2)ccn1 ZINC001249998500 967254274 /nfs/dbraw/zinc/25/42/74/967254274.db2.gz SSVDOMHOOSLJIF-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1[nH]nc2ccc(CC(=O)OC(C)C)cc12 ZINC001250085392 967350045 /nfs/dbraw/zinc/35/00/45/967350045.db2.gz HXVDUZFOSBAZSP-UHFFFAOYSA-N 0 1 232.283 2.365 20 0 BEADMN CC(C)OC(=O)Cc1cc(O)c(F)c(F)c1F ZINC001250091554 967361771 /nfs/dbraw/zinc/36/17/71/967361771.db2.gz UTBVKFJSZXFFAV-UHFFFAOYSA-N 0 1 248.200 2.304 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1ncc2c(n1)CNCC2 ZINC001168692932 967394341 /nfs/dbraw/zinc/39/43/41/967394341.db2.gz HUFDIZGRVSHYSH-QWRGUYRKSA-N 0 1 248.374 2.359 20 0 BEADMN COC(CN(C)Cc1ccc(C)c(F)c1)OC ZINC001205243867 967437931 /nfs/dbraw/zinc/43/79/31/967437931.db2.gz QFPHWNPURQBNEA-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN C[NH+](C)CCc1c(F)ccc([O-])c1Cl ZINC001250162532 967456338 /nfs/dbraw/zinc/45/63/38/967456338.db2.gz QMDVQYRCQUXZBO-UHFFFAOYSA-N 0 1 217.671 2.289 20 0 BEADMN CCc1cc(-n2cnc(C)c2N)ccc1OC ZINC001250174222 967476946 /nfs/dbraw/zinc/47/69/46/967476946.db2.gz FHCDMNIWQXKLRP-UHFFFAOYSA-N 0 1 231.299 2.334 20 0 BEADMN Cc1nc2cc(-c3cnn(C)c3)ccc2[nH]1 ZINC001240295518 967498758 /nfs/dbraw/zinc/49/87/58/967498758.db2.gz BOWQGOLJKAPAOX-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN c1nc2ccc(-c3ccc4nc[nH]c4c3)cn2n1 ZINC001240354864 967560216 /nfs/dbraw/zinc/56/02/16/967560216.db2.gz PBEZUZDCVMKJCT-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1[nH]nc2cc(CCCCCC(N)=O)ccc12 ZINC001250270768 967595165 /nfs/dbraw/zinc/59/51/65/967595165.db2.gz ISUNAJADPAKHKD-UHFFFAOYSA-N 0 1 245.326 2.460 20 0 BEADMN O=C(Cc1ccc2[nH]nnc2c1)c1cccs1 ZINC001250304668 967648231 /nfs/dbraw/zinc/64/82/31/967648231.db2.gz MOBNWFBXLDBYPO-UHFFFAOYSA-N 0 1 243.291 2.445 20 0 BEADMN O=C(Cc1ccc2nn[nH]c2c1)c1cccs1 ZINC001250304668 967648243 /nfs/dbraw/zinc/64/82/43/967648243.db2.gz MOBNWFBXLDBYPO-UHFFFAOYSA-N 0 1 243.291 2.445 20 0 BEADMN CCn1cc(C[N@H+]2CC3CCC2CC3)cn1 ZINC001205545047 967678771 /nfs/dbraw/zinc/67/87/71/967678771.db2.gz PFIRATUCXDFHMN-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN OC1CC2(C1)CN(Cc1ccc3[nH]ccc3c1)C2 ZINC001205563389 967699013 /nfs/dbraw/zinc/69/90/13/967699013.db2.gz OMFFVIDXVVJHEC-UHFFFAOYSA-N 0 1 242.322 2.125 20 0 BEADMN Nc1cccc2c1cnn2-c1ccc2cncn2c1 ZINC001250328449 967712523 /nfs/dbraw/zinc/71/25/23/967712523.db2.gz LMGGIYGCQFUPBP-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Nc1cc(NC(C2CC2)C2CC2)ncc1F ZINC001168742514 967715222 /nfs/dbraw/zinc/71/52/22/967715222.db2.gz MJEGAWLCRWJCRH-UHFFFAOYSA-N 0 1 221.279 2.403 20 0 BEADMN Nc1ccc(O)c(Nc2ccc3cncn3c2)c1 ZINC001250330731 967718051 /nfs/dbraw/zinc/71/80/51/967718051.db2.gz DFPKTKIHLZXLAB-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN CC(C)OC1CCN(Cc2cnoc2)CC1 ZINC001205697011 967787009 /nfs/dbraw/zinc/78/70/09/967787009.db2.gz MLONRVXEWDARGH-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN CN(C)Cc1cccc(Cc2cnccn2)c1F ZINC001250375368 967789878 /nfs/dbraw/zinc/78/98/78/967789878.db2.gz BCVTWHWSYHGYBO-UHFFFAOYSA-N 0 1 245.301 2.268 20 0 BEADMN c1nocc1CN1CCC(c2cccnc2)CC1 ZINC001205724250 967804042 /nfs/dbraw/zinc/80/40/42/967804042.db2.gz LCCBBLCNSYARBG-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN c1nc2ccc(NCCN3CCCCO3)cc2[nH]1 ZINC001162424281 967834030 /nfs/dbraw/zinc/83/40/30/967834030.db2.gz BSCUDRVXRJTEQA-UHFFFAOYSA-N 0 1 246.314 2.002 20 0 BEADMN CCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC001250426345 967838987 /nfs/dbraw/zinc/83/89/87/967838987.db2.gz UOVYTMYZYIAKOD-UHFFFAOYSA-N 0 1 248.282 2.311 20 0 BEADMN COCOc1ccc2nc(C3CC3)[nH]c2c1 ZINC001250427124 967842308 /nfs/dbraw/zinc/84/23/08/967842308.db2.gz UBUPMOLDFKSUDF-UHFFFAOYSA-N 0 1 218.256 2.423 20 0 BEADMN Cc1cnccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001205835540 967844692 /nfs/dbraw/zinc/84/46/92/967844692.db2.gz SUOIRQSUSCMRHV-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN CC(C)Cn1cc(Nc2ccncc2)cn1 ZINC001205837034 967848343 /nfs/dbraw/zinc/84/83/43/967848343.db2.gz HSVHMYCFEHLWRE-UHFFFAOYSA-N 0 1 216.288 2.100 20 0 BEADMN Cc1cc2nc([C@@H]3CCC(=O)N3)[nH]c2c(C)c1 ZINC001250431918 967849533 /nfs/dbraw/zinc/84/95/33/967849533.db2.gz VXFRJIOBCOLABA-VIFPVBQESA-N 0 1 229.283 2.131 20 0 BEADMN Cn1nccc1Cc1c(F)cc(F)c(O)c1F ZINC001250437148 967856724 /nfs/dbraw/zinc/85/67/24/967856724.db2.gz DSBJFLYFWBWTAB-UHFFFAOYSA-N 0 1 242.200 2.134 20 0 BEADMN CCCC1CCN(Cc2cnnn2CC)CC1 ZINC001117960765 967860440 /nfs/dbraw/zinc/86/04/40/967860440.db2.gz CBQYAWBYWQLWTN-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN Cc1cccc2nc(-c3c[nH]nn3)n(C3CC3)c21 ZINC001250445106 967871613 /nfs/dbraw/zinc/87/16/13/967871613.db2.gz FQHLNQXYGJJVEH-UHFFFAOYSA-N 0 1 239.282 2.465 20 0 BEADMN CCn1c2cc(C)ccc2nc1-c1c[nH]nn1 ZINC001250446541 967874635 /nfs/dbraw/zinc/87/46/35/967874635.db2.gz RKCCEDSGUCEWFP-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN Cc1nc2cc(-c3ncc(F)cn3)ccc2[nH]1 ZINC001250476422 967909074 /nfs/dbraw/zinc/90/90/74/967909074.db2.gz GCNGQVDEEHGTPZ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1C(=O)[O-] ZINC000693442845 967988834 /nfs/dbraw/zinc/98/88/34/967988834.db2.gz BDGUBDOQTSAHGV-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccc(-c2ccc(F)cc2O)nn1 ZINC001250520148 968024854 /nfs/dbraw/zinc/02/48/54/968024854.db2.gz RGXBTTBLONXGGO-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1nnc(CNCCCCOC(C)C)s1 ZINC000698328993 968059271 /nfs/dbraw/zinc/05/92/71/968059271.db2.gz KIYYFYPLCZXLDD-UHFFFAOYSA-N 0 1 243.376 2.141 20 0 BEADMN Cc1cc(F)cc2[nH]c(C3(C)COC3)nc21 ZINC001250558795 968065865 /nfs/dbraw/zinc/06/58/65/968065865.db2.gz HHOFPWKCJSJKMN-UHFFFAOYSA-N 0 1 220.247 2.298 20 0 BEADMN COCCc1nc2ccc(N3CCCC3)cc2[nH]1 ZINC001250596267 968132398 /nfs/dbraw/zinc/13/23/98/968132398.db2.gz STRLQLACYASMSN-UHFFFAOYSA-N 0 1 245.326 2.352 20 0 BEADMN Oc1c(F)cc(-c2cncnc2)cc1F ZINC001250600027 968138893 /nfs/dbraw/zinc/13/88/93/968138893.db2.gz UBSDKNANNRGRTA-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN O=C1Cc2cc(-c3cccn4cncc34)ccc2N1 ZINC001206229220 968153508 /nfs/dbraw/zinc/15/35/08/968153508.db2.gz SGDLWANJBNKBJR-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN Cc1n[nH]cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250621478 968167645 /nfs/dbraw/zinc/16/76/45/968167645.db2.gz KJOZSLYHVUSLCI-UHFFFAOYSA-N 0 1 240.266 2.196 20 0 BEADMN COc1cc2nc(-c3cnccn3)[nH]c2cc1F ZINC001250630208 968174364 /nfs/dbraw/zinc/17/43/64/968174364.db2.gz ZHMWEYMLDNUQPT-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Nc1ncc(-c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC001250685883 968195260 /nfs/dbraw/zinc/19/52/60/968195260.db2.gz ZWPHUIIYTWWJSS-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN FCCN1CCC(OCc2cccnc2)CC1 ZINC001206316540 968222202 /nfs/dbraw/zinc/22/22/02/968222202.db2.gz BAOBVSAYCMZCNP-UHFFFAOYSA-N 0 1 238.306 2.032 20 0 BEADMN CC[C@H](NC[C@@H](O)C(F)(F)F)c1ccccn1 ZINC001250991433 968236136 /nfs/dbraw/zinc/23/61/36/968236136.db2.gz JUZOAXYYNZXDOZ-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN O[C@H](CNCC1(F)CCCCC1)C(F)(F)F ZINC001250987701 968236823 /nfs/dbraw/zinc/23/68/23/968236823.db2.gz XVLBHSWDKWGHMU-MRVPVSSYSA-N 0 1 243.244 2.172 20 0 BEADMN COc1ccc2nc(-c3ccc(O)cn3)[nH]c2c1 ZINC001250999543 968240482 /nfs/dbraw/zinc/24/04/82/968240482.db2.gz SLGKXYQNQCVVRB-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1(C)CCC1 ZINC000397060648 968241382 /nfs/dbraw/zinc/24/13/82/968241382.db2.gz WWQKWZIJDPNZAN-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc(-c2nc3ccc(N(C)C)cc3[nH]2)c[nH]1 ZINC001251114451 968265097 /nfs/dbraw/zinc/26/50/97/968265097.db2.gz ILIQWOINVIJELR-UHFFFAOYSA-N 0 1 241.298 2.327 20 0 BEADMN c1cc(CNc2cnn(-c3ccncc3)c2)co1 ZINC000727242676 968282863 /nfs/dbraw/zinc/28/28/63/968282863.db2.gz FGVLZZBEAFWAMT-UHFFFAOYSA-N 0 1 240.266 2.472 20 0 BEADMN FC(F)c1ccc2nc(-c3nc[nH]n3)[nH]c2c1 ZINC001251632112 968296859 /nfs/dbraw/zinc/29/68/59/968296859.db2.gz CJSDZQIVSXJIPI-UHFFFAOYSA-N 0 1 235.197 2.286 20 0 BEADMN Cc1cnc(N[C@@H](C)CCO)c2[nH]ccc21 ZINC001165865641 968297633 /nfs/dbraw/zinc/29/76/33/968297633.db2.gz ACXQWWACXJMLHA-VIFPVBQESA-N 0 1 219.288 2.054 20 0 BEADMN Cc1nc2cc(N[C@@H](C)CCO)ccc2[nH]1 ZINC001165905357 968302442 /nfs/dbraw/zinc/30/24/42/968302442.db2.gz MUDWDOWXEQGJTN-QMMMGPOBSA-N 0 1 219.288 2.054 20 0 BEADMN COc1cnccc1CN1CCC[C@H](F)CC1 ZINC001206438803 968307087 /nfs/dbraw/zinc/30/70/87/968307087.db2.gz UHYOYSLGGQJRRT-LBPRGKRZSA-N 0 1 238.306 2.414 20 0 BEADMN COc1ccc2nc(-c3cncnc3C)[nH]c2c1 ZINC001251717385 968308640 /nfs/dbraw/zinc/30/86/40/968308640.db2.gz JPQHFVKQAUTBQM-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCCCOCCCNCc1nnc(C)s1 ZINC000698326579 968326582 /nfs/dbraw/zinc/32/65/82/968326582.db2.gz CBBUKBRTHYRCGW-UHFFFAOYSA-N 0 1 243.376 2.143 20 0 BEADMN Cc1nonc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC001251802597 968336750 /nfs/dbraw/zinc/33/67/50/968336750.db2.gz ROGHYWNKGMJJSN-UHFFFAOYSA-N 0 1 232.218 2.369 20 0 BEADMN COc1cc2[nH]c(-c3nonc3C)nc2cc1C ZINC001251802163 968337583 /nfs/dbraw/zinc/33/75/83/968337583.db2.gz FLOBHOMWZKUCRA-UHFFFAOYSA-N 0 1 244.254 2.238 20 0 BEADMN Cc1nonc1-c1nc2cc(C)c(F)cc2[nH]1 ZINC001251802790 968341382 /nfs/dbraw/zinc/34/13/82/968341382.db2.gz XFCPNZUXGXFRPB-UHFFFAOYSA-N 0 1 232.218 2.369 20 0 BEADMN CC[C@@H](O)CNCc1c(F)cc(Cl)cc1F ZINC001251806237 968341620 /nfs/dbraw/zinc/34/16/20/968341620.db2.gz SFUXLQFORDNCAD-MRVPVSSYSA-N 0 1 249.688 2.479 20 0 BEADMN C1=CCC(c2nc([C@@H]3CN4CCC3CC4)no2)C1 ZINC001320494994 1169917646 /nfs/dbraw/zinc/91/76/46/1169917646.db2.gz BUYWHMVGFUGJCX-GFCCVEGCSA-N 0 1 245.326 2.312 20 0 BEADMN COc1ncccc1CN1CCC[C@H](F)CC1 ZINC001206553658 968377883 /nfs/dbraw/zinc/37/78/83/968377883.db2.gz FECAEXIKVFCYBA-LBPRGKRZSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@H](O)CN1CCC[C@H]1c1c(F)cccc1F ZINC001251963423 968403338 /nfs/dbraw/zinc/40/33/38/968403338.db2.gz WCFJOOGMURYWIV-CABZTGNLSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccccc1)c1ccno1 ZINC001252016202 968437505 /nfs/dbraw/zinc/43/75/05/968437505.db2.gz WLADORYEQKMTCI-CMPLNLGQSA-N 0 1 232.283 2.059 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccccc1)c1ccno1 ZINC001252016205 968437792 /nfs/dbraw/zinc/43/77/92/968437792.db2.gz WLADORYEQKMTCI-PWSUYJOCSA-N 0 1 232.283 2.059 20 0 BEADMN CC(C)(C)N1CC(OCCc2ccc(O)cc2)C1 ZINC001206718726 968440092 /nfs/dbraw/zinc/44/00/92/968440092.db2.gz VBFKCFIITJJFQQ-UHFFFAOYSA-N 0 1 249.354 2.434 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)c1C ZINC000716106945 968467592 /nfs/dbraw/zinc/46/75/92/968467592.db2.gz VIAFSVKENAALJI-VXGBXAGGSA-N 0 1 249.358 2.325 20 0 BEADMN Cc1ccc(O[C@H]2CCCN(C)C2)c(F)n1 ZINC001230713121 968472190 /nfs/dbraw/zinc/47/21/90/968472190.db2.gz OQTIKCSUOPREMF-JTQLQIEISA-N 0 1 224.279 2.002 20 0 BEADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)on1 ZINC001206820562 968488462 /nfs/dbraw/zinc/48/84/62/968488462.db2.gz GZZAXCHGSHIYKA-FUNVUKJBSA-N 0 1 236.315 2.125 20 0 BEADMN CCCC[C@@H](O)CNc1cnc2ccccn12 ZINC001252079651 968496284 /nfs/dbraw/zinc/49/62/84/968496284.db2.gz PXMKWFUEOQSWGC-LLVKDONJSA-N 0 1 233.315 2.297 20 0 BEADMN Cc1ccnc(CN2CC3(C2)CCOCC3)c1 ZINC001206853220 968499687 /nfs/dbraw/zinc/49/96/87/968499687.db2.gz ZAPVYLLQEUEOIL-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CC(C)[C@@H](O)CNCc1csc(C2CC2)n1 ZINC000164088740 968505917 /nfs/dbraw/zinc/50/59/17/968505917.db2.gz AGVXEYGHVAFOPI-NSHDSACASA-N 0 1 240.372 2.127 20 0 BEADMN CC(C)[C@H](O)CNCc1csc(C2CC2)n1 ZINC000164088637 968506515 /nfs/dbraw/zinc/50/65/15/968506515.db2.gz AGVXEYGHVAFOPI-LLVKDONJSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1ncsc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001206863054 968508007 /nfs/dbraw/zinc/50/80/07/968508007.db2.gz JDWRXMCRBPBCDH-MNOVXSKESA-N 0 1 238.356 2.062 20 0 BEADMN COc1cncc(CN2CC[C@](C)(CF)C2)c1 ZINC001206993980 968530611 /nfs/dbraw/zinc/53/06/11/968530611.db2.gz SELLMXFWDSXTTH-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN O=c1[nH]cccc1CN1Cc2ccccc2C1 ZINC001206999947 968535946 /nfs/dbraw/zinc/53/59/46/968535946.db2.gz BKMCEKBJTJOBDI-UHFFFAOYSA-N 0 1 226.279 2.303 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc[nH]c2=O)C[C@@H]1F ZINC001207002163 968538811 /nfs/dbraw/zinc/53/88/11/968538811.db2.gz SHIXZIABLOXAKS-CMPLNLGQSA-N 0 1 242.269 2.059 20 0 BEADMN C[C@H]1CN(Cc2ncccn2)CCC[C@@H]1C ZINC001207010133 968547458 /nfs/dbraw/zinc/54/74/58/968547458.db2.gz JKKYIGHVMKTUAB-RYUDHWBXSA-N 0 1 219.332 2.345 20 0 BEADMN CN(Cc1ncccc1F)CC1CCC1 ZINC001207033597 968565789 /nfs/dbraw/zinc/56/57/89/968565789.db2.gz ZZHSRRDHKVYFGJ-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CCCC[C@@H]2C)c1C ZINC000716199377 968566013 /nfs/dbraw/zinc/56/60/13/968566013.db2.gz MORVIZLHQLLGIP-CABZTGNLSA-N 0 1 249.358 2.469 20 0 BEADMN CCCC[C@@H](O)CN1CCn2cccc2[C@H]1C ZINC001252093248 968570800 /nfs/dbraw/zinc/57/08/00/968570800.db2.gz GRKOLUWROKQJCC-CHWSQXEVSA-N 0 1 236.359 2.416 20 0 BEADMN CCCC[C@H](O)CN1CCn2cccc2[C@@H]1C ZINC001252093251 968571188 /nfs/dbraw/zinc/57/11/88/968571188.db2.gz GRKOLUWROKQJCC-STQMWFEESA-N 0 1 236.359 2.416 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccc(F)cn3)C[C@@H]12 ZINC001207045385 968573403 /nfs/dbraw/zinc/57/34/03/968573403.db2.gz QTJBNWPSVRRXIR-GXFFZTMASA-N 0 1 248.301 2.022 20 0 BEADMN CCCC[C@H](O)CNCC(=O)c1ccccc1 ZINC001252108173 968589008 /nfs/dbraw/zinc/58/90/08/968589008.db2.gz LVUPESDMBOGANJ-ZDUSSCGKSA-N 0 1 235.327 2.010 20 0 BEADMN O=c1cccc(CN2CC3(C2)CCCC3)[nH]1 ZINC001207067172 968598992 /nfs/dbraw/zinc/59/89/92/968598992.db2.gz VOVKHBXFCPTDSL-UHFFFAOYSA-N 0 1 218.300 2.163 20 0 BEADMN [O-]c1ccc(F)cc1-c1ccc2c(n1)C[NH2+]CC2 ZINC001240693492 968645244 /nfs/dbraw/zinc/64/52/44/968645244.db2.gz DKZWVAIOSRLTRJ-UHFFFAOYSA-N 0 1 244.269 2.239 20 0 BEADMN CCn1ccnc1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001207146126 968655232 /nfs/dbraw/zinc/65/52/32/968655232.db2.gz FGCIRODLSDNUQF-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN CCn1ccnc1CN(C)CC1CC(F)(F)C1 ZINC001207146126 968655238 /nfs/dbraw/zinc/65/52/38/968655238.db2.gz FGCIRODLSDNUQF-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN c1ccc(COCCN2CC3(CSC3)C2)cc1 ZINC001207237113 968686190 /nfs/dbraw/zinc/68/61/90/968686190.db2.gz HJLCUNDVNOQPJU-UHFFFAOYSA-N 0 1 249.379 2.252 20 0 BEADMN CC1=CC[C@@H](CCN2CC(O)C2)C1(C)C ZINC001207269398 968705604 /nfs/dbraw/zinc/70/56/04/968705604.db2.gz RJZZUCUPKHEXGZ-NSHDSACASA-N 0 1 209.333 2.045 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CC[C@H](C)CC1 ZINC001207418717 968759608 /nfs/dbraw/zinc/75/96/08/968759608.db2.gz GDRRZHSMSPYUDY-XYPYZODXSA-N 0 1 213.321 2.060 20 0 BEADMN COc1ccccc1CCN1C[C@H](C)O[C@@H](C)C1 ZINC001207453870 968780250 /nfs/dbraw/zinc/78/02/50/968780250.db2.gz PCUFJOZYHOOJLR-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN COC1CN(CC[C@@H](C)CCCC(C)(C)O)C1 ZINC001207636244 968853172 /nfs/dbraw/zinc/85/31/72/968853172.db2.gz SRWBFCOVIPSQHL-LBPRGKRZSA-N 0 1 243.391 2.284 20 0 BEADMN Oc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001241060375 968883237 /nfs/dbraw/zinc/88/32/37/968883237.db2.gz ABCZGJXYYWRBNL-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001241060375 968883242 /nfs/dbraw/zinc/88/32/42/968883242.db2.gz ABCZGJXYYWRBNL-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CO[C@@H]1CN(CC2(c3ccccc3)CC2)C[C@@H]1F ZINC001207832441 968891564 /nfs/dbraw/zinc/89/15/64/968891564.db2.gz AIYOHABWHSQXEE-UONOGXRCSA-N 0 1 249.329 2.387 20 0 BEADMN C[C@H]1COCCN1CC1(c2ccccc2)CC1 ZINC001207832104 968893991 /nfs/dbraw/zinc/89/39/91/968893991.db2.gz XLDFFHWTUSHCDW-ZDUSSCGKSA-N 0 1 231.339 2.439 20 0 BEADMN C[C@@H](CN1CC[C@@H](O)[C@@H](F)C1)c1ccccc1 ZINC001207903097 968922190 /nfs/dbraw/zinc/92/21/90/968922190.db2.gz BOUWXZMRCRBSEV-FPMFFAJLSA-N 0 1 237.318 2.195 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H](C)[C@@H]2C)[nH]1 ZINC001252711947 968923700 /nfs/dbraw/zinc/92/37/00/968923700.db2.gz DWNCTRNUVUYHBA-ZJUUUORDSA-N 0 1 235.331 2.404 20 0 BEADMN C[C@@H](CN1CCC12COC2)c1ccccc1 ZINC001207910430 968929473 /nfs/dbraw/zinc/92/94/73/968929473.db2.gz RFHBZRKUWDSZTL-LBPRGKRZSA-N 0 1 217.312 2.265 20 0 BEADMN CCOC(=O)C1CN(C[C@@H](C)c2ccccc2)C1 ZINC001207910393 968930817 /nfs/dbraw/zinc/93/08/17/968930817.db2.gz PSNFLGKTBSRINL-GFCCVEGCSA-N 0 1 247.338 2.285 20 0 BEADMN c1cc2c(cn1)CCN(C[C@H]1CCCCO1)C2 ZINC001207950908 968944430 /nfs/dbraw/zinc/94/44/30/968944430.db2.gz XJJFSWDSUHBBFD-CQSZACIVSA-N 0 1 232.327 2.009 20 0 BEADMN CN1CC=C(c2cnc(C(F)(F)F)nc2)CC1 ZINC001241320144 968975721 /nfs/dbraw/zinc/97/57/21/968975721.db2.gz UJAWFSWGVVDWHQ-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CCC[C@@H](O)CNCc1cc(F)cc(F)c1F ZINC001252798772 968981618 /nfs/dbraw/zinc/98/16/18/968981618.db2.gz KFMIMUWOGMYLDO-SNVBAGLBSA-N 0 1 247.260 2.355 20 0 BEADMN CCC[C@H](O)CNCc1cc(F)cnc1Cl ZINC001252805764 968992010 /nfs/dbraw/zinc/99/20/10/968992010.db2.gz OMBTZIIAOPWLGT-JTQLQIEISA-N 0 1 246.713 2.125 20 0 BEADMN c1ncc(-c2cccc3cncn32)s1 ZINC001241501275 969017552 /nfs/dbraw/zinc/01/75/52/969017552.db2.gz XDZMINKZRLPJEG-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN CCc1cccc(-c2ncc3c(n2)CNC3)c1 ZINC001241544620 969028679 /nfs/dbraw/zinc/02/86/79/969028679.db2.gz DSLYBHWMXGVKMA-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN CS[C@H](C)CCN1CC2(C1)CCCCO2 ZINC001208137291 969047161 /nfs/dbraw/zinc/04/71/61/969047161.db2.gz DMZHUBXVJXXXGK-LLVKDONJSA-N 0 1 229.389 2.383 20 0 BEADMN CN1CCC=C(c2cnc3ccc(F)cc3n2)C1 ZINC001241565171 969054333 /nfs/dbraw/zinc/05/43/33/969054333.db2.gz GCYKPKAXLTXFFA-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN1CCC=C(c2cncnc2C2CC2)C1 ZINC001241570559 969059100 /nfs/dbraw/zinc/05/91/00/969059100.db2.gz KTZSGNCPGILILZ-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CCOc1ncccc1C1=CCCN(C)C1 ZINC001241570488 969059358 /nfs/dbraw/zinc/05/93/58/969059358.db2.gz KTOJELFAPULYIX-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1cncnc1 ZINC001208151815 969075193 /nfs/dbraw/zinc/07/51/93/969075193.db2.gz YTQOQJGPCQXCSC-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN CS[C@@H](C)CCN1CC(OC(C)C)C1 ZINC001208154640 969079510 /nfs/dbraw/zinc/07/95/10/969079510.db2.gz MYHVYSFGYVMYKW-JTQLQIEISA-N 0 1 217.378 2.237 20 0 BEADMN CS[C@H](C)CCN1CC(OC(C)C)C1 ZINC001208154647 969079903 /nfs/dbraw/zinc/07/99/03/969079903.db2.gz MYHVYSFGYVMYKW-SNVBAGLBSA-N 0 1 217.378 2.237 20 0 BEADMN C[C@@](O)(CN1C[C@@H]2C[C@@H]2[C@H](F)C1)c1ccccc1 ZINC001253097244 969085817 /nfs/dbraw/zinc/08/58/17/969085817.db2.gz ABZAWKFDVORPNK-SPWCGHHHSA-N 0 1 249.329 2.184 20 0 BEADMN CC1=C[C@H](C)[C@@H](CN2CCN(C#N)CC2)CC1 ZINC001208170127 969097832 /nfs/dbraw/zinc/09/78/32/969097832.db2.gz RXJDWJQKUOMFTK-UONOGXRCSA-N 0 1 233.359 2.077 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208171853 969104299 /nfs/dbraw/zinc/10/42/99/969104299.db2.gz YACLPQWQBASZCV-STQMWFEESA-N 0 1 239.359 2.474 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208182914 969114563 /nfs/dbraw/zinc/11/45/63/969114563.db2.gz WDKBHNXJROYYMV-AGIUHOORSA-N 0 1 239.359 2.472 20 0 BEADMN Fc1cccc(CCN2CCn3nccc3C2)c1 ZINC001208201902 969125421 /nfs/dbraw/zinc/12/54/21/969125421.db2.gz OTQWTTRNRDSSCC-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN COC(C)(C)CCC[C@H](C)CCN1CC(O)C1 ZINC001208201472 969127028 /nfs/dbraw/zinc/12/70/28/969127028.db2.gz DGOBDZZZLURPAV-LBPRGKRZSA-N 0 1 243.391 2.284 20 0 BEADMN Fc1cccc(CCN2CC3(CSC3)C2)c1 ZINC001208201942 969128189 /nfs/dbraw/zinc/12/81/89/969128189.db2.gz QPNZOAYVHAFSQP-UHFFFAOYSA-N 0 1 237.343 2.417 20 0 BEADMN CCN(CCN1CC[C@@H]1C)C(=O)OC(C)(C)C ZINC001208242508 969131060 /nfs/dbraw/zinc/13/10/60/969131060.db2.gz DZBPHOIMVUAHAS-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1cscn1 ZINC001241890320 969131203 /nfs/dbraw/zinc/13/12/03/969131203.db2.gz RDVKIZRSHTXSAP-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CCN(CCN1CC[C@H]1C)C(=O)OC(C)(C)C ZINC001208242507 969131808 /nfs/dbraw/zinc/13/18/08/969131808.db2.gz DZBPHOIMVUAHAS-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN Cc1nnc(-c2ccc3c(C)[nH]nc3c2)o1 ZINC001253387127 969151431 /nfs/dbraw/zinc/15/14/31/969151431.db2.gz LDDXXICPRRQLOD-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1ncc[nH]1 ZINC001242019474 969176549 /nfs/dbraw/zinc/17/65/49/969176549.db2.gz ZKZSPMMMJXPMPV-UHFFFAOYSA-N 0 1 202.192 2.092 20 0 BEADMN CC(C)(CCN1CC(O)C1)c1ccccc1 ZINC001208663229 969185429 /nfs/dbraw/zinc/18/54/29/969185429.db2.gz IUPQJIOKHWTYLA-UHFFFAOYSA-N 0 1 219.328 2.031 20 0 BEADMN c1ncn2cc(C3=CCOCC3)ccc12 ZINC001242075217 969199312 /nfs/dbraw/zinc/19/93/12/969199312.db2.gz QPYZPAMZUDWTDW-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN CCCCC[C@@H](O)CN1CCO[C@@H](C(C)C)C1 ZINC001253537885 969211821 /nfs/dbraw/zinc/21/18/21/969211821.db2.gz MLLGBEXTUQVJFU-ZIAGYGMSSA-N 0 1 243.391 2.284 20 0 BEADMN CC/C=C\CCN1CC(N2CC[C@H](F)C2)C1 ZINC001208728930 969211999 /nfs/dbraw/zinc/21/19/99/969211999.db2.gz HGNQNVZZNPGYIG-MVZIDQBPSA-N 0 1 226.339 2.071 20 0 BEADMN CC/C=C\CCN(C)[C@H](C(=O)OC)C(C)C ZINC001208730493 969217428 /nfs/dbraw/zinc/21/74/28/969217428.db2.gz WVOYEGOJUJVOAA-KRZKBDHCSA-N 0 1 227.348 2.472 20 0 BEADMN Cc1ncc(NC2=CCN(C)CC2)s1 ZINC001208795217 969241369 /nfs/dbraw/zinc/24/13/69/969241369.db2.gz XNEPMVLYMGFCDR-UHFFFAOYSA-N 0 1 209.318 2.083 20 0 BEADMN Cc1[nH]ncc1-c1nnc(Cc2ccccc2)o1 ZINC001253556404 969228996 /nfs/dbraw/zinc/22/89/96/969228996.db2.gz SGQACZATDQBJST-UHFFFAOYSA-N 0 1 240.266 2.359 20 0 BEADMN C/C(=C\C=C\N)N[C@@H](C)c1ccc(C)cn1 ZINC001168854166 969235925 /nfs/dbraw/zinc/23/59/25/969235925.db2.gz MHRPLNPJIBPEBC-GYICGZBZSA-N 0 1 217.316 2.417 20 0 BEADMN c1cc2c(cn1)CCN(C[C@H]1CCC=CO1)C2 ZINC001208873877 969262607 /nfs/dbraw/zinc/26/26/07/969262607.db2.gz LNZLRGWECURYHW-CQSZACIVSA-N 0 1 230.311 2.132 20 0 BEADMN CC(=O)[C@@H]1CCCCN1C[C@@H]1CCC=CO1 ZINC001208883037 969269927 /nfs/dbraw/zinc/26/99/27/969269927.db2.gz QSWXPVDRCBOYCB-STQMWFEESA-N 0 1 223.316 2.123 20 0 BEADMN CC(=O)[C@H]1CN(CC2(C)CCCCC2)CCO1 ZINC001208907580 969296672 /nfs/dbraw/zinc/29/66/72/969296672.db2.gz LCZGPBOTJPSYBM-CYBMUJFWSA-N 0 1 239.359 2.247 20 0 BEADMN Cc1nnc(SCCc2c(C)noc2C)[nH]1 ZINC001253646737 969321576 /nfs/dbraw/zinc/32/15/76/969321576.db2.gz MAPWYYFTADPTFV-UHFFFAOYSA-N 0 1 238.316 2.053 20 0 BEADMN Cc1cccc2ncc(NC[C@H](O)C(C)(C)C)n21 ZINC001253720415 969344312 /nfs/dbraw/zinc/34/43/12/969344312.db2.gz VYUJPUFSLQKTPU-NSHDSACASA-N 0 1 247.342 2.462 20 0 BEADMN Cc1nc2ccccn2c1NC[C@H](O)C(C)C ZINC001253753239 969370200 /nfs/dbraw/zinc/37/02/00/969370200.db2.gz MPPYXTALXRYLFQ-NSHDSACASA-N 0 1 233.315 2.072 20 0 BEADMN O=C1CCCN(CCCc2cccnc2)CC1 ZINC001209175098 969370558 /nfs/dbraw/zinc/37/05/58/969370558.db2.gz ZUQJKUGNHKVQNF-UHFFFAOYSA-N 0 1 232.327 2.069 20 0 BEADMN CC(C)[C@H]1CN(CCCc2cccnc2)CCO1 ZINC001209182265 969373872 /nfs/dbraw/zinc/37/38/72/969373872.db2.gz XNLHLRILARCUQH-OAHLLOKOSA-N 0 1 248.370 2.371 20 0 BEADMN Cc1ccc2c(ccnc2NCC2OCCO2)c1 ZINC001169060389 969374750 /nfs/dbraw/zinc/37/47/50/969374750.db2.gz QHRXOSHKWRYCNE-UHFFFAOYSA-N 0 1 244.294 2.328 20 0 BEADMN CCCn1cncc1CNCc1ccc(C)nc1 ZINC000090205498 969392818 /nfs/dbraw/zinc/39/28/18/969392818.db2.gz ZWEFZBCGIOEGMA-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN CC(C)[C@H](O)CNc1cccc2ncn(C)c21 ZINC001253774527 969395054 /nfs/dbraw/zinc/39/50/54/969395054.db2.gz RIHOWXBVRFLHLU-GFCCVEGCSA-N 0 1 233.315 2.002 20 0 BEADMN C[C@H]1CN(CC2Cc3ccccc3C2)CCC1=O ZINC001209320159 969443702 /nfs/dbraw/zinc/44/37/02/969443702.db2.gz RHFQROCALUSEJS-LBPRGKRZSA-N 0 1 243.350 2.312 20 0 BEADMN CCCc1nnc(-c2ncc(C(F)(F)F)[n-]2)o1 ZINC001253994163 969443812 /nfs/dbraw/zinc/44/38/12/969443812.db2.gz FTTGVEQVGMACRY-UHFFFAOYSA-N 0 1 246.192 2.431 20 0 BEADMN COC1CCC(CN2CCC(=O)[C@@H](C)C2)CC1 ZINC001209392583 969462512 /nfs/dbraw/zinc/46/25/12/969462512.db2.gz HNLCFGRSGNVIIQ-HIFPTAJRSA-N 0 1 239.359 2.103 20 0 BEADMN CCCOC1CN(CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209389605 969463584 /nfs/dbraw/zinc/46/35/84/969463584.db2.gz VDWHOVFDVPTEFF-RYUDHWBXSA-N 0 1 241.375 2.301 20 0 BEADMN COC(C)(C)CCN1CCC(F)(F)[C@H](F)C1 ZINC001209402251 969465728 /nfs/dbraw/zinc/46/57/28/969465728.db2.gz IGANGNFQGJITOG-SECBINFHSA-N 0 1 239.281 2.481 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCC(F)(F)[C@@H](F)C1 ZINC001209418629 969481615 /nfs/dbraw/zinc/48/16/15/969481615.db2.gz QXVMINQPTJVBBO-VGMNWLOBSA-N 0 1 207.239 2.322 20 0 BEADMN CN(C)c1ccncc1-c1nnc(C2CC2)o1 ZINC001254110601 969501870 /nfs/dbraw/zinc/50/18/70/969501870.db2.gz DMGSMFSTIGWXMC-UHFFFAOYSA-N 0 1 230.271 2.075 20 0 BEADMN Cc1ccc(C)c(N[C@H]2CCC[C@@H](O)C2)n1 ZINC001169246577 969535758 /nfs/dbraw/zinc/53/57/58/969535758.db2.gz BQFWYVCLKAYDBO-NWDGAFQWSA-N 0 1 220.316 2.414 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H](C(F)F)C1 ZINC001209555862 969542576 /nfs/dbraw/zinc/54/25/76/969542576.db2.gz LZCXNSYNMJZDEO-VIFPVBQESA-N 0 1 229.274 2.195 20 0 BEADMN c1cc(CN2CC[C@@H]3CCC[C@H]3C2)no1 ZINC001209559178 969545234 /nfs/dbraw/zinc/54/52/34/969545234.db2.gz COPJGNGFVPVART-QWRGUYRKSA-N 0 1 206.289 2.297 20 0 BEADMN FC1(F)CCC(N2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001254229168 969547547 /nfs/dbraw/zinc/54/75/47/969547547.db2.gz HHJHZYSRILFGDF-GHMZBOCLSA-N 0 1 231.286 2.428 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ccc(C)[nH]2)C1 ZINC001209574081 969558490 /nfs/dbraw/zinc/55/84/90/969558490.db2.gz DWQIMCHFZMXSLG-LBPRGKRZSA-N 0 1 220.316 2.124 20 0 BEADMN Cn1nc(CN2CC3CC(C3)C2)c2ccccc21 ZINC001209583058 969561436 /nfs/dbraw/zinc/56/14/36/969561436.db2.gz BKMOLYHKTMXZCO-UHFFFAOYSA-N 0 1 241.338 2.415 20 0 BEADMN Fc1cc(F)c(F)c(CN[C@@H]2CCCOC2)c1 ZINC001254362809 969576616 /nfs/dbraw/zinc/57/66/16/969576616.db2.gz UBJBSNPGCIZJIJ-SNVBAGLBSA-N 0 1 245.244 2.373 20 0 BEADMN CCOC(=O)[C@@H](C)N(C[C@@H]1C[C@H]1CC)C1CC1 ZINC001169340754 969605068 /nfs/dbraw/zinc/60/50/68/969605068.db2.gz AAITUPIAGBZZQV-UTUOFQBUSA-N 0 1 239.359 2.449 20 0 BEADMN C[C@@H]1CCN(Cc2cnccn2)CCC1(F)F ZINC001209783779 969618003 /nfs/dbraw/zinc/61/80/03/969618003.db2.gz VLPGMEJPHSBVGH-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN Fc1cnc(CNC2CCC3(CC3)CC2)nc1 ZINC001254432444 969619099 /nfs/dbraw/zinc/61/90/99/969619099.db2.gz JYZVVHVTPFEVOV-UHFFFAOYSA-N 0 1 235.306 2.428 20 0 BEADMN CCN(C(=O)c1ccc2cncn2c1C)C1CC1 ZINC001254435301 969623593 /nfs/dbraw/zinc/62/35/93/969623593.db2.gz RRAAYMOSMBOIHU-UHFFFAOYSA-N 0 1 243.310 2.267 20 0 BEADMN O=C(Nc1ccns1)c1cccc2cn[nH]c21 ZINC001169449086 969638097 /nfs/dbraw/zinc/63/80/97/969638097.db2.gz ONMWUFMDXRTSCP-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN c1nc2ccc(Nc3ncccn3)cc2[nH]1 ZINC001209841657 969653004 /nfs/dbraw/zinc/65/30/04/969653004.db2.gz ZZIXMGCCVSMQRK-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN CN(c1ccc2nc[nH]c2c1)c1ncccc1N ZINC001209841517 969656146 /nfs/dbraw/zinc/65/61/46/969656146.db2.gz STYYFBABXNEUPA-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN Cc1nccnc1Nc1ccc2nc[nH]c2c1 ZINC001209842144 969656374 /nfs/dbraw/zinc/65/63/74/969656374.db2.gz DWEGQRJMRNHTII-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cc(Nc2ccc3nc[nH]c3c2)no1 ZINC001209842971 969657440 /nfs/dbraw/zinc/65/74/40/969657440.db2.gz SILQIUBTDVPNBD-UHFFFAOYSA-N 0 1 230.227 2.303 20 0 BEADMN Cc1cc(N)ncc1Nc1cccnc1C ZINC001209961338 969721024 /nfs/dbraw/zinc/72/10/24/969721024.db2.gz FVNYKTSGYRPPTD-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cc(N)ncc1Nc1nccnc1Cl ZINC001209961363 969721472 /nfs/dbraw/zinc/72/14/72/969721472.db2.gz GHWZZVDBPGCCMZ-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1cc(Nc2cnc(N)cc2C)nc(C)n1 ZINC001209961880 969724862 /nfs/dbraw/zinc/72/48/62/969724862.db2.gz OVSOBOAGVYSNMW-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN COc1nc(C)ccc1Nc1cnc(N)cc1C ZINC001209967137 969730187 /nfs/dbraw/zinc/73/01/87/969730187.db2.gz IDNOBYKQYMVWHV-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(O)cc1O ZINC001209965934 969730346 /nfs/dbraw/zinc/73/03/46/969730346.db2.gz JFUFZVRTQQFRCW-UHFFFAOYSA-N 0 1 231.255 2.127 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(F)nc(F)c1 ZINC001209965683 969730464 /nfs/dbraw/zinc/73/04/64/969730464.db2.gz ZHKDHARPDXWCDP-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN Cc1cc(N)ncc1Nc1cnsc1 ZINC001209967827 969736710 /nfs/dbraw/zinc/73/67/10/969736710.db2.gz SHLOHXROXSGDHA-UHFFFAOYSA-N 0 1 206.274 2.172 20 0 BEADMN Cc1cc(Nc2cnc(N)cc2C)n(CCF)n1 ZINC001209967721 969737521 /nfs/dbraw/zinc/73/75/21/969737521.db2.gz QZLDGNQSJXTYSJ-UHFFFAOYSA-N 0 1 249.293 2.190 20 0 BEADMN Cc1cc(N)ncc1Nc1c(F)cccc1CO ZINC001209970795 969740177 /nfs/dbraw/zinc/74/01/77/969740177.db2.gz DTSPSADJYZNABT-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(N)ccc1F ZINC001209970577 969741777 /nfs/dbraw/zinc/74/17/77/969741777.db2.gz YYZXNUQHBDNKNH-UHFFFAOYSA-N 0 1 232.262 2.437 20 0 BEADMN Cc1ncn(-c2ccc(N(C)C)c(C)c2)c1N ZINC001210042507 969773674 /nfs/dbraw/zinc/77/36/74/969773674.db2.gz IEGBUSIRXHUSLS-UHFFFAOYSA-N 0 1 230.315 2.137 20 0 BEADMN CCCCC=Nc1nc(N)cnc1Cl ZINC001210059018 969781652 /nfs/dbraw/zinc/78/16/52/969781652.db2.gz DPSSEERDOLAYPV-SNAWJCMRSA-N 0 1 212.684 2.438 20 0 BEADMN FC(F)(F)C1(N[C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254846885 969804322 /nfs/dbraw/zinc/80/43/22/969804322.db2.gz XIUXJVNBTYOVCB-SNVBAGLBSA-N 0 1 248.292 2.155 20 0 BEADMN FC1(F)CCC[C@H]1N[C@H]1CC2CCN(CC2)C1 ZINC001254849152 969805923 /nfs/dbraw/zinc/80/59/23/969805923.db2.gz RILPATTXGDZUSW-NWDGAFQWSA-N 0 1 244.329 2.248 20 0 BEADMN Cc1ncn(-c2ccc(F)c(F)c2C)c1N ZINC001210128791 969807436 /nfs/dbraw/zinc/80/74/36/969807436.db2.gz KIKHHOZVJWWZRM-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN CCc1coc(CN[C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)n1 ZINC001254916504 969818947 /nfs/dbraw/zinc/81/89/47/969818947.db2.gz ZSEGFYGGQBDEIM-IAZYJMLFSA-N 0 1 248.326 2.084 20 0 BEADMN O=C1C[C@H]2C[C@H](N3Cc4cccnc4C3)C[C@H]2C1 ZINC001254945427 969833627 /nfs/dbraw/zinc/83/36/27/969833627.db2.gz HWFSUZHGHSBOGD-ITGUQSILSA-N 0 1 242.322 2.155 20 0 BEADMN Oc1cccnc1CNc1cccn2cncc12 ZINC001169733067 969837080 /nfs/dbraw/zinc/83/70/80/969837080.db2.gz ROXGDRITQPEJRH-UHFFFAOYSA-N 0 1 240.266 2.047 20 0 BEADMN CCCNc1cc(C)nc(NC[C@H](C)OC)n1 ZINC001169770835 969844343 /nfs/dbraw/zinc/84/43/43/969844343.db2.gz YXIGDPVJQCDUPR-JTQLQIEISA-N 0 1 238.335 2.054 20 0 BEADMN C[C@H]1c2cccn2CCN1C1CCOCC1 ZINC001255045221 969864054 /nfs/dbraw/zinc/86/40/54/969864054.db2.gz ZQLIWGYYLIMAME-NSHDSACASA-N 0 1 220.316 2.044 20 0 BEADMN CCc1nnc(-c2ccc3[nH]c(C)nc3c2)o1 ZINC001255067142 969869129 /nfs/dbraw/zinc/86/91/29/969869129.db2.gz LHQMYLHRQKQEAT-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN CCc1nnc(-c2nc3cccc(C)c3[nH]2)o1 ZINC001255067174 969869559 /nfs/dbraw/zinc/86/95/59/969869559.db2.gz MZQPJYHPRMZTKS-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN Cc1nc(CNC2CCSCC2)c(C)o1 ZINC001255076366 969871069 /nfs/dbraw/zinc/87/10/69/969871069.db2.gz YMHSCCVONLHCBS-UHFFFAOYSA-N 0 1 226.345 2.277 20 0 BEADMN CCc1nnc(-c2cnc3ccc[nH]c2-3)o1 ZINC001255073384 969871886 /nfs/dbraw/zinc/87/18/86/969871886.db2.gz NLWUOELOUKDGAU-UHFFFAOYSA-N 0 1 214.228 2.175 20 0 BEADMN CCc1nnc(-c2ccc3[nH]c(NC)nc3c2)o1 ZINC001255078745 969872631 /nfs/dbraw/zinc/87/26/31/969872631.db2.gz ASRIAUQKJLWRKL-UHFFFAOYSA-N 0 1 243.270 2.217 20 0 BEADMN COc1ncc(Cl)cc1Nc1cncn1C ZINC001210450533 969891026 /nfs/dbraw/zinc/89/10/26/969891026.db2.gz NGBBQBQJTXWFBU-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2c1OCO2 ZINC001210558111 969939885 /nfs/dbraw/zinc/93/98/85/969939885.db2.gz HMQAUNYUWIZOMQ-UHFFFAOYSA-N 0 1 231.255 2.201 20 0 BEADMN Cn1cncc1Nc1ccc2ocnc2c1 ZINC001210570876 969947397 /nfs/dbraw/zinc/94/73/97/969947397.db2.gz DNFAMLCGWDRWLJ-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN O=c1[nH]cc(Nc2ccc3nccn3c2)cc1F ZINC001210599345 969974610 /nfs/dbraw/zinc/97/46/10/969974610.db2.gz VOAYEKQFDZOBBZ-UHFFFAOYSA-N 0 1 244.229 2.318 20 0 BEADMN Cc1ncn(-c2cnc3sccc3c2)c1N ZINC001210692077 969999821 /nfs/dbraw/zinc/99/98/21/969999821.db2.gz GABIIYFNWKQKTP-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN O=C(CN[C@@H]1CCSC1)c1ccccc1F ZINC001255269286 970018232 /nfs/dbraw/zinc/01/82/32/970018232.db2.gz BNMDVZOUSNTJOE-SECBINFHSA-N 0 1 239.315 2.104 20 0 BEADMN CC=C(C)Nc1nc(Br)cnc1N ZINC001210792962 970029841 /nfs/dbraw/zinc/02/98/41/970029841.db2.gz SOMGFXQENQOGBU-HWKANZROSA-N 0 1 243.108 2.157 20 0 BEADMN CC=C(C)Nc1cnn2c1OCC1(CC1)C2 ZINC001210793665 970033447 /nfs/dbraw/zinc/03/34/47/970033447.db2.gz YBEXQSNTCOLLFA-YCRREMRBSA-N 0 1 219.288 2.391 20 0 BEADMN CCC(C)=Nc1ccccc1S(C)(=O)=O ZINC001210795063 970034307 /nfs/dbraw/zinc/03/43/07/970034307.db2.gz RDJOCDNHAGKUOB-RUDMXATFSA-N 0 1 225.313 2.426 20 0 BEADMN c1cc2c(o1)CCN([C@@H]1CCSC1)C2 ZINC001255291764 970053805 /nfs/dbraw/zinc/05/38/05/970053805.db2.gz ZHMVSYKTWAEZHE-SNVBAGLBSA-N 0 1 209.314 2.143 20 0 BEADMN CSc1ccc(-n2cncc2N)c(F)c1 ZINC001210876862 970061176 /nfs/dbraw/zinc/06/11/76/970061176.db2.gz JVDZKUXJXFFJNZ-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN Cc1ncn(-c2ccc3c(c2)C(=O)CCC3)c1N ZINC001210933499 970072215 /nfs/dbraw/zinc/07/22/15/970072215.db2.gz VNYQHMVXOWVXMG-UHFFFAOYSA-N 0 1 241.294 2.282 20 0 BEADMN Nc1cn[nH+]cc1Nc1cccc([S-])c1 ZINC001210944921 970073515 /nfs/dbraw/zinc/07/35/15/970073515.db2.gz CDPHVWARHUVQGZ-UHFFFAOYSA-N 0 1 218.285 2.091 20 0 BEADMN NCc1ncc(-c2ccc3ccccc3n2)cn1 ZINC001242775036 970074814 /nfs/dbraw/zinc/07/48/14/970074814.db2.gz XIAOVQLEQALEBO-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN N=CNc1nc(Cl)ccc1CN1CCCC1 ZINC001157078488 970079101 /nfs/dbraw/zinc/07/91/01/970079101.db2.gz NGJNURTUQWXZIW-UHFFFAOYSA-N 0 1 238.722 2.350 20 0 BEADMN CCOC(=O)[C@H]1CCC[C@@H](N2CC[C@@H](F)C2)C1 ZINC001255365577 970124437 /nfs/dbraw/zinc/12/44/37/970124437.db2.gz GLSIYKPHGMOTTO-QJPTWQEYSA-N 0 1 243.322 2.152 20 0 BEADMN C[N@@H+]1CC[C@H](NC2(c3ccccc3F)CC2)C1 ZINC001255423675 970145274 /nfs/dbraw/zinc/14/52/74/970145274.db2.gz MGUCZSSZTCFTII-NSHDSACASA-N 0 1 234.318 2.109 20 0 BEADMN COC(=O)c1cscc1Nc1cncn1C ZINC001211246139 970190547 /nfs/dbraw/zinc/19/05/47/970190547.db2.gz ZQQUHYPUMKDCMY-UHFFFAOYSA-N 0 1 237.284 2.012 20 0 BEADMN CCOc1cc(Nc2cncn2C)cc(C)n1 ZINC001211247151 970192212 /nfs/dbraw/zinc/19/22/12/970192212.db2.gz KQPSPGBTNBZAQF-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN CCc1ccc(N)c(Nc2cncn2C)c1 ZINC001211254590 970199872 /nfs/dbraw/zinc/19/98/72/970199872.db2.gz WWCXMZWKLNSQOW-UHFFFAOYSA-N 0 1 216.288 2.308 20 0 BEADMN COc1cnccc1Nc1c(C)cccc1CO ZINC001211264262 970207391 /nfs/dbraw/zinc/20/73/91/970207391.db2.gz BOBBEZMXYJQNPA-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN COc1cnccc1Nc1cccc([C@@H](C)O)c1 ZINC001211262654 970212549 /nfs/dbraw/zinc/21/25/49/970212549.db2.gz KNKYMDPOIKOKBB-SNVBAGLBSA-N 0 1 244.294 2.309 20 0 BEADMN Oc1cc(F)c(-c2cn3ccnc3cn2)cc1F ZINC001211350851 970246670 /nfs/dbraw/zinc/24/66/70/970246670.db2.gz VQWRNEFAXSNKTL-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN COc1cc(N)n(-c2ccnc(C(C)(C)C)c2)n1 ZINC001213162387 970284006 /nfs/dbraw/zinc/28/40/06/970284006.db2.gz AUYUVXVGOCJSJV-UHFFFAOYSA-N 0 1 246.314 2.156 20 0 BEADMN CCCOC1CN([C@@H]2CCOC(C)(C)C2)C1 ZINC001255550385 970322641 /nfs/dbraw/zinc/32/26/41/970322641.db2.gz WDCDKKWKUHUONM-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN COC[C@@H](C)NCc1c(F)cc(OC)cc1F ZINC001255558222 970337329 /nfs/dbraw/zinc/33/73/29/970337329.db2.gz GLEVHRDZBRANTH-MRVPVSSYSA-N 0 1 245.269 2.098 20 0 BEADMN C[C@@H]1CC[C@H](n2c(CN)nc3cnccc32)C1 ZINC001170119466 970347124 /nfs/dbraw/zinc/34/71/24/970347124.db2.gz BGECOPVQBGETOZ-ZJUUUORDSA-N 0 1 230.315 2.251 20 0 BEADMN COC[C@H](C)N[C@H]1COc2cc(Cl)ccc21 ZINC001255564940 970354743 /nfs/dbraw/zinc/35/47/43/970354743.db2.gz HTSNBDMVAMKEQE-KWQFWETISA-N 0 1 241.718 2.398 20 0 BEADMN COC[C@@H](C)N(Cc1ccco1)C1CC1 ZINC001255582083 970382663 /nfs/dbraw/zinc/38/26/63/970382663.db2.gz PSTUYIJNRVEMNC-SNVBAGLBSA-N 0 1 209.289 2.279 20 0 BEADMN COc1cccc(-n2cncc2N)c1C1CC1 ZINC001213800944 970386968 /nfs/dbraw/zinc/38/69/68/970386968.db2.gz LQMUWWHXAXLNQG-UHFFFAOYSA-N 0 1 229.283 2.341 20 0 BEADMN CCC1(N[C@@H](C)CC(F)(F)F)COC1 ZINC001255636923 970395368 /nfs/dbraw/zinc/39/53/68/970395368.db2.gz VCGIBHXQUNPORH-ZETCQYMHSA-N 0 1 211.227 2.096 20 0 BEADMN Nc1cncn1-c1c(Cl)ccc(F)c1F ZINC001213945785 970402868 /nfs/dbraw/zinc/40/28/68/970402868.db2.gz RYCWILXCKJODDX-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN Cc1ncc2n1CCN([C@@H]1CC[C@H](C)C1)C2 ZINC001170137583 970412109 /nfs/dbraw/zinc/41/21/09/970412109.db2.gz OHEXOEXIJKDIFA-CMPLNLGQSA-N 0 1 219.332 2.196 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H](CO)c1ccncc1 ZINC001255641763 970415810 /nfs/dbraw/zinc/41/58/10/970415810.db2.gz MXERTQZEBHZBPL-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@H](CO)c1ccncc1 ZINC001255641762 970418184 /nfs/dbraw/zinc/41/81/84/970418184.db2.gz MXERTQZEBHZBPL-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN CCc1nc(N[C@@H]2CCC[C@@H]2C(=O)[O-])cc(C)[nH+]1 ZINC000302436351 970440118 /nfs/dbraw/zinc/44/01/18/970440118.db2.gz ANUZDHCZQUIBSG-VHSXEESVSA-N 0 1 249.314 2.013 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CC2(CSC2)C1 ZINC001255665309 970444616 /nfs/dbraw/zinc/44/46/16/970444616.db2.gz WHSJFQYMHYEUQH-ZETCQYMHSA-N 0 1 225.279 2.376 20 0 BEADMN COc1ncnc2c1CCN([C@H]1CC[C@H](C)C1)C2 ZINC001170152231 970458717 /nfs/dbraw/zinc/45/87/17/970458717.db2.gz JTJHJEPYDVKJET-QWRGUYRKSA-N 0 1 247.342 2.032 20 0 BEADMN C[C@H]1CC[C@@H](N2CCN(C(C)(C)C)C(=O)C2)C1 ZINC001170152427 970465763 /nfs/dbraw/zinc/46/57/63/970465763.db2.gz LURVXDUCXAFGHV-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1C[C@H](NCc2nc(C)co2)CCO1 ZINC001170162370 970508214 /nfs/dbraw/zinc/50/82/14/970508214.db2.gz SOQJVUTVLKJWHH-MNOVXSKESA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2nc(C)co2)CCO1 ZINC001170162374 970509140 /nfs/dbraw/zinc/50/91/40/970509140.db2.gz SOQJVUTVLKJWHH-WDEREUQCSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@H](Cc1ccccc1F)N1CC(C)(CO)C1 ZINC001255842122 970512271 /nfs/dbraw/zinc/51/22/71/970512271.db2.gz OLMPJUCUARMYAU-LLVKDONJSA-N 0 1 237.318 2.071 20 0 BEADMN CC(=O)c1cc(Nc2nccn2C)cs1 ZINC001214771660 970531480 /nfs/dbraw/zinc/53/14/80/970531480.db2.gz ZSZINHQYXFGQKO-UHFFFAOYSA-N 0 1 221.285 2.428 20 0 BEADMN CC[C@@H]1C[C@H](NC2(c3ncccn3)CC2)CCO1 ZINC001170195161 970593113 /nfs/dbraw/zinc/59/31/13/970593113.db2.gz JCHFPMHQUBECQQ-VXGBXAGGSA-N 0 1 247.342 2.013 20 0 BEADMN Cc1c(C)c(Nc2cncn2C)ccc1CO ZINC001215236049 970677194 /nfs/dbraw/zinc/67/71/94/970677194.db2.gz PTWJFDGWYSTADF-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN COc1cccc(C[C@H](C)N2C[C@@H]3C[C@H]2CO3)c1 ZINC001256163156 970678973 /nfs/dbraw/zinc/67/89/73/970678973.db2.gz AXGONRBHEHYLFA-WHOFXGATSA-N 0 1 247.338 2.099 20 0 BEADMN CCCC(N)=[NH+]OCc1cccc(C(=O)[O-])c1 ZINC001610195557 970699756 /nfs/dbraw/zinc/69/97/56/970699756.db2.gz XRNODJOFJPWMMW-UHFFFAOYSA-N 0 1 236.271 2.183 20 0 BEADMN CC(C)CC[C@@H](C)N[C@H]1CCSC1=O ZINC001256355203 970753138 /nfs/dbraw/zinc/75/31/38/970753138.db2.gz RVGRIZDRCNLNNZ-ZJUUUORDSA-N 0 1 215.362 2.433 20 0 BEADMN CCCC(C)(C)C(=O)Nc1cc(N(C)C)[nH]n1 ZINC001144110904 972581189 /nfs/dbraw/zinc/58/11/89/972581189.db2.gz CVBWQJVYQJDAPT-UHFFFAOYSA-N 0 1 238.335 2.241 20 0 BEADMN Cc1c(O)cccc1CN1CC2(CSC2)C1 ZINC001144120850 972594451 /nfs/dbraw/zinc/59/44/51/972594451.db2.gz AWMNMHHFQUKZAQ-UHFFFAOYSA-N 0 1 235.352 2.249 20 0 BEADMN CCOc1cccc([C@@H](C)NCc2nnc[nH]2)c1 ZINC001327518506 972609781 /nfs/dbraw/zinc/60/97/81/972609781.db2.gz JJKWGSZHUYILOE-SNVBAGLBSA-N 0 1 246.314 2.054 20 0 BEADMN COc1ccc(O)cc1-c1cccc2[nH]nnc21 ZINC001222634896 972613848 /nfs/dbraw/zinc/61/38/48/972613848.db2.gz NKQPEXINYADABX-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCN(Cc1nnc[nH]1)Cc1ccccc1C ZINC001327537865 972619110 /nfs/dbraw/zinc/61/91/10/972619110.db2.gz LWMQZEQSAAHDKQ-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)c(C)o1 ZINC001327589941 972655703 /nfs/dbraw/zinc/65/57/03/972655703.db2.gz IVWYXSRTGUQDJD-CYBMUJFWSA-N 0 1 221.300 2.261 20 0 BEADMN CC1(C)CN(Cc2ccc3cc[nH]c3n2)C1 ZINC001144168501 972661683 /nfs/dbraw/zinc/66/16/83/972661683.db2.gz AGLFPZSBUPRMII-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN C[N@@H+](Cc1ccc2cc[nH]c2n1)[C@H]1CCCOC1 ZINC001144187144 972677298 /nfs/dbraw/zinc/67/72/98/972677298.db2.gz WBWOJCMBQATJHR-ZDUSSCGKSA-N 0 1 245.326 2.174 20 0 BEADMN CCc1cccc(CN(C)C2(C)COC2)c1 ZINC001144324151 972761975 /nfs/dbraw/zinc/76/19/75/972761975.db2.gz YDCLUDIPVZVLDX-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CCCCC1 ZINC001144329187 972766640 /nfs/dbraw/zinc/76/66/40/972766640.db2.gz QLSLGNSCMNANDX-UHFFFAOYSA-N 0 1 236.315 2.177 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CCCC12CC2 ZINC001144328954 972768948 /nfs/dbraw/zinc/76/89/48/972768948.db2.gz MFAOCDNWFQEKRY-UHFFFAOYSA-N 0 1 248.326 2.320 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C1CC(C)(C)C1 ZINC000395285398 972785272 /nfs/dbraw/zinc/78/52/72/972785272.db2.gz GKJNZSHDDKWLMY-UHFFFAOYSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1ccc([C@@H](C)OCc2cnc[nH]2)cn1 ZINC001223001105 972793580 /nfs/dbraw/zinc/79/35/80/972793580.db2.gz UAGGXAZKNRUCPW-SNVBAGLBSA-N 0 1 217.272 2.391 20 0 BEADMN COc1ccc([C@@H](C)OCc2cnc[nH]2)cn1 ZINC001223000017 972796199 /nfs/dbraw/zinc/79/61/99/972796199.db2.gz JPEIYCLPFARNFX-SECBINFHSA-N 0 1 233.271 2.091 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1cnc2ccccn21 ZINC001223001783 972798315 /nfs/dbraw/zinc/79/83/15/972798315.db2.gz LCCAJRJUIXCEPM-JTQLQIEISA-N 0 1 242.282 2.335 20 0 BEADMN c1ncc(CO[C@@H]2CCc3cccnc32)[nH]1 ZINC001223001509 972798713 /nfs/dbraw/zinc/79/87/13/972798713.db2.gz ZCAISVXDBDFQNM-LLVKDONJSA-N 0 1 215.256 2.009 20 0 BEADMN C[C@H](COC(C)(C)C)OCc1cnc[nH]1 ZINC001223002291 972799342 /nfs/dbraw/zinc/79/93/42/972799342.db2.gz SFJFZKBROGCPPL-SECBINFHSA-N 0 1 212.293 2.130 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1ncccc1F ZINC001223008171 972799911 /nfs/dbraw/zinc/79/99/11/972799911.db2.gz VXBLLPLNJXPMSW-QMMMGPOBSA-N 0 1 221.235 2.222 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H](C)[C@@H]2C)[nH]1 ZINC001327907092 972802543 /nfs/dbraw/zinc/80/25/43/972802543.db2.gz MYECDITUJQFWGU-BDAKNGLRSA-N 0 1 221.304 2.014 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)[C@@H]2C)[nH]1 ZINC001327907096 972802698 /nfs/dbraw/zinc/80/26/98/972802698.db2.gz MYECDITUJQFWGU-IUCAKERBSA-N 0 1 221.304 2.014 20 0 BEADMN CC[C@H](OCc1nn[nH]n1)c1ccccc1F ZINC001223027330 972803356 /nfs/dbraw/zinc/80/33/56/972803356.db2.gz OAAWFSJCHRRAIV-JTQLQIEISA-N 0 1 236.250 2.007 20 0 BEADMN C[C@@H](OCc1nn[nH]n1)c1ccccc1Cl ZINC001223029592 972808365 /nfs/dbraw/zinc/80/83/65/972808365.db2.gz NJGJCGVQFVUUHI-SSDOTTSWSA-N 0 1 238.678 2.131 20 0 BEADMN CC1(C)C[C@@]1(NCc1nnc[nH]1)c1ccccc1 ZINC001327919692 972809728 /nfs/dbraw/zinc/80/97/28/972809728.db2.gz VKTPODTUMBEERD-CQSZACIVSA-N 0 1 242.326 2.220 20 0 BEADMN C[C@@H]1SCC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000395821397 972834025 /nfs/dbraw/zinc/83/40/25/972834025.db2.gz SENBGMJHCYVLDN-UWVGGRQHSA-N 0 1 245.388 2.313 20 0 BEADMN CO[C@@H](CSc1nnc(C)[nH]1)C1CCC1 ZINC001328023177 972852952 /nfs/dbraw/zinc/85/29/52/972852952.db2.gz UZAXDDCLCCXOBG-VIFPVBQESA-N 0 1 227.333 2.020 20 0 BEADMN c1nnc(CSCCC2SCCS2)[nH]1 ZINC001328055538 972857618 /nfs/dbraw/zinc/85/76/18/972857618.db2.gz HCZCDVRUFDSKSS-UHFFFAOYSA-N 0 1 247.414 2.234 20 0 BEADMN Cc1n[nH]cc1CN1CC(c2ccc(F)cc2)C1 ZINC001328218837 972908834 /nfs/dbraw/zinc/90/88/34/972908834.db2.gz BLAROTMQCBPQHJ-UHFFFAOYSA-N 0 1 245.301 2.457 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144664519 972922059 /nfs/dbraw/zinc/92/20/59/972922059.db2.gz IKEOLFHAFJLECK-QMMMGPOBSA-N 0 1 225.313 2.288 20 0 BEADMN CCC[C@H]1CCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000396805113 972939322 /nfs/dbraw/zinc/93/93/22/972939322.db2.gz JMWKFECZHLPIQS-HUYFXPKMSA-N 0 1 211.305 2.282 20 0 BEADMN O[C@@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144731978 972970834 /nfs/dbraw/zinc/97/08/34/972970834.db2.gz IFWDVAJMMAGSOX-LLVKDONJSA-N 0 1 248.351 2.253 20 0 BEADMN COC(=O)c1cc(CNC/C=C/C2CC2)c(C)o1 ZINC001329981831 1169954652 /nfs/dbraw/zinc/95/46/52/1169954652.db2.gz DCHFKHWMNLIGIB-ONEGZZNKSA-N 0 1 249.310 2.430 20 0 BEADMN CC1(C)CN(Cc2nnc[nH]2)[C@H]1c1cccs1 ZINC001328410375 973034578 /nfs/dbraw/zinc/03/45/78/973034578.db2.gz OVBLKGYSZVDOJK-NSHDSACASA-N 0 1 248.355 2.449 20 0 BEADMN CC[N@@H+](CCC1CCC1)C(C)(C)C(=O)[O-] ZINC000398788720 973171448 /nfs/dbraw/zinc/17/14/48/973171448.db2.gz OVBVXMCUGHKVRW-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cccc(C)c1N1CC2(CCN2C)C1 ZINC001276904356 973192138 /nfs/dbraw/zinc/19/21/38/973192138.db2.gz ZVOGLRANWUHPON-UHFFFAOYSA-N 0 1 216.328 2.198 20 0 BEADMN CC[C@H](C)CN(C)C(=O)CCc1cc(C)[nH]n1 ZINC001146699715 973198405 /nfs/dbraw/zinc/19/84/05/973198405.db2.gz PLPJARCKQUBCFC-JTQLQIEISA-N 0 1 237.347 2.155 20 0 BEADMN Cc1nnsc1CN1CC2CCC1CC2 ZINC001328620075 973200080 /nfs/dbraw/zinc/20/00/80/973200080.db2.gz PSKZHBIYBLIFEV-UHFFFAOYSA-N 0 1 223.345 2.221 20 0 BEADMN CC(C)(C)ONC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001328637298 973219670 /nfs/dbraw/zinc/21/96/70/973219670.db2.gz RRERWIAPZHLJBZ-RKDXNWHRSA-N 0 1 229.320 2.036 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000399528400 973225355 /nfs/dbraw/zinc/22/53/55/973225355.db2.gz FZSMEZIBVDUCTC-KXUCPTDWSA-N 0 1 237.299 2.454 20 0 BEADMN C/C(=C\C=C\N)N[C@H]1COCc2ccccc21 ZINC001171294586 973420318 /nfs/dbraw/zinc/42/03/18/973420318.db2.gz OADSWSDKAWUFSP-YPXOQKFMSA-N 0 1 230.311 2.224 20 0 BEADMN Cc1nc(CN2CC[C@@H]3OCCC[C@H]3C2)[nH]c1C ZINC001329059840 973456029 /nfs/dbraw/zinc/45/60/29/973456029.db2.gz GFRSRYYMHOJUIM-STQMWFEESA-N 0 1 249.358 2.027 20 0 BEADMN COc1cccc(NC(=O)c2[nH]cnc2C)c1C ZINC001147365975 973563295 /nfs/dbraw/zinc/56/32/95/973563295.db2.gz ZDPMHARJSKPIFW-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN FCCN1CCC(OCCC2CC2)CC1 ZINC001224759286 973928806 /nfs/dbraw/zinc/92/88/06/973928806.db2.gz XULNVEYVIHWKRQ-UHFFFAOYSA-N 0 1 215.312 2.237 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(F)c2F)no1 ZINC001247490056 973964357 /nfs/dbraw/zinc/96/43/57/973964357.db2.gz OEDWIOGFVCDVMO-ZCFIWIBFSA-N 0 1 239.225 2.295 20 0 BEADMN NCc1nccn1[C@H]1CCc2c(F)cccc2C1 ZINC001171393898 974002227 /nfs/dbraw/zinc/00/22/27/974002227.db2.gz QLJYCMYKGBMXRA-NSHDSACASA-N 0 1 245.301 2.211 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H]1CCc2c(F)cccc2C1 ZINC001171411733 974020447 /nfs/dbraw/zinc/02/04/47/974020447.db2.gz NAZWFJSYAYPELI-ZDUSSCGKSA-N 0 1 249.353 2.168 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H]1CCc2c(F)cccc2C1 ZINC001171411733 974020458 /nfs/dbraw/zinc/02/04/58/974020458.db2.gz NAZWFJSYAYPELI-ZDUSSCGKSA-N 0 1 249.353 2.168 20 0 BEADMN Fc1cccc2c1CC[C@@H](N1CC3(COC3)C1)C2 ZINC001171423223 974035187 /nfs/dbraw/zinc/03/51/87/974035187.db2.gz YHTLIMBEDWKVPD-GFCCVEGCSA-N 0 1 247.313 2.015 20 0 BEADMN CC(=O)CC(C)(C)Nc1ccc2nc(C)[nH]c2n1 ZINC001171498834 974081833 /nfs/dbraw/zinc/08/18/33/974081833.db2.gz GTJWYGQMUMPZQN-UHFFFAOYSA-N 0 1 246.314 2.436 20 0 BEADMN CC(=O)CC(C)(C)Nc1cncc2nc(C)[nH]c21 ZINC001171502266 974087578 /nfs/dbraw/zinc/08/75/78/974087578.db2.gz CWUKHTQGJAFKOU-UHFFFAOYSA-N 0 1 246.314 2.436 20 0 BEADMN CC(C)(C)N1CC(OCCc2cccnc2)C1 ZINC001224968149 974111990 /nfs/dbraw/zinc/11/19/90/974111990.db2.gz OLMYXKLVLFJIKK-UHFFFAOYSA-N 0 1 234.343 2.123 20 0 BEADMN CC1(C)CN([C@H]2Cc3cccc(F)c3C2)CCO1 ZINC001171795567 974187520 /nfs/dbraw/zinc/18/75/20/974187520.db2.gz YYJRTEYETUQBJS-LBPRGKRZSA-N 0 1 249.329 2.404 20 0 BEADMN CC[C@H]1COCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171806480 974194685 /nfs/dbraw/zinc/19/46/85/974194685.db2.gz GCFFOFLKIBQTBC-QWHCGFSZSA-N 0 1 249.329 2.404 20 0 BEADMN c1cc(CN2CCc3cnccc3C2)ccn1 ZINC001204077479 974208318 /nfs/dbraw/zinc/20/83/18/974208318.db2.gz YANMSRBVQDJGJK-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC[C@@H]2F)[nH]n1 ZINC001330341834 974238230 /nfs/dbraw/zinc/23/82/30/974238230.db2.gz CNRMFFPNFNWDLR-WDEREUQCSA-N 0 1 211.284 2.088 20 0 BEADMN CCCC1CCN(Cc2ccnc(OC)n2)CC1 ZINC001330527830 974291240 /nfs/dbraw/zinc/29/12/40/974291240.db2.gz DZUCKIITJXNSCW-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1cccc([C@@H](C)[S@](=O)Cc2nc[nH]n2)c1 ZINC001330620551 974366865 /nfs/dbraw/zinc/36/68/65/974366865.db2.gz GLZPXDJXEAVSET-BMLIUANNSA-N 0 1 249.339 2.123 20 0 BEADMN COc1cnc(F)c(CNC/C=C/C2CC2)c1 ZINC001330639628 974377813 /nfs/dbraw/zinc/37/78/13/974377813.db2.gz TVOWLUUHHHMOHG-NSCUHMNNSA-N 0 1 236.290 2.285 20 0 BEADMN CC(C)[C@H]1CC[C@@H]1NCc1csnn1 ZINC001330651841 974385935 /nfs/dbraw/zinc/38/59/35/974385935.db2.gz JMLDBELKSBFHPQ-ZJUUUORDSA-N 0 1 211.334 2.062 20 0 BEADMN CCC1CN(Cc2cccc(C(=O)OC)c2)C1 ZINC001330722643 974429030 /nfs/dbraw/zinc/42/90/30/974429030.db2.gz ZSXBLGUJRKHUPH-UHFFFAOYSA-N 0 1 233.311 2.315 20 0 BEADMN c1ccc2c(c1)C[C@@H](N1CC3(COC3)C1)CS2 ZINC001172193647 974480864 /nfs/dbraw/zinc/48/08/64/974480864.db2.gz NLVZKNREJFAAGJ-GFCCVEGCSA-N 0 1 247.363 2.036 20 0 BEADMN CC1(C)C[C@H](NCC(=O)c2ccccc2)CO1 ZINC001172271248 974485334 /nfs/dbraw/zinc/48/53/34/974485334.db2.gz KEJTZJBBACNQAS-LBPRGKRZSA-N 0 1 233.311 2.026 20 0 BEADMN CC1(C)C[C@H](NCc2cccc(Cl)n2)CO1 ZINC001172271671 974486142 /nfs/dbraw/zinc/48/61/42/974486142.db2.gz OTIOKHDBIRRQAK-JTQLQIEISA-N 0 1 240.734 2.392 20 0 BEADMN CC1(C)C[C@@H](NCC(=O)c2ccccc2)CO1 ZINC001172271247 974487538 /nfs/dbraw/zinc/48/75/38/974487538.db2.gz KEJTZJBBACNQAS-GFCCVEGCSA-N 0 1 233.311 2.026 20 0 BEADMN Cc1cc(CN2CC(c3ccc(F)cc3)C2)n[nH]1 ZINC001330867875 974511615 /nfs/dbraw/zinc/51/16/15/974511615.db2.gz QNLOYBBKUURANW-UHFFFAOYSA-N 0 1 245.301 2.457 20 0 BEADMN CC1(C)C[C@H](N2CC[C@@](C)(F)[C@@H](F)C2)CO1 ZINC001172283986 974546242 /nfs/dbraw/zinc/54/62/42/974546242.db2.gz NZHGRJTYEWIOQV-JBLDHEPKSA-N 0 1 233.302 2.326 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2ccc([S-])cc2)C1 ZINC001225554696 974548552 /nfs/dbraw/zinc/54/85/52/974548552.db2.gz GGIOXWKPPFEOEL-LLVKDONJSA-N 0 1 223.341 2.448 20 0 BEADMN CCC[C@H](C)CC(=O)NCc1cc(N)ccn1 ZINC001330984717 974549416 /nfs/dbraw/zinc/54/94/16/974549416.db2.gz NSKRMYWOBNQIES-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN CC1(C)C[C@@H](N2CCC[C@@H]2c2cnccn2)CO1 ZINC001172286955 974550520 /nfs/dbraw/zinc/55/05/20/974550520.db2.gz OGIPYHIIAPKIOC-DGCLKSJQSA-N 0 1 247.342 2.181 20 0 BEADMN CC1(C)C[C@H](N2CC3(C2)C[C@@H](F)CS3)CO1 ZINC001172289191 974556179 /nfs/dbraw/zinc/55/61/79/974556179.db2.gz SVSYZOSCPBAXSI-ZJUUUORDSA-N 0 1 245.363 2.083 20 0 BEADMN CC(C)[NH+]1CC(Oc2ccccc2[S-])C1 ZINC001225584630 974569481 /nfs/dbraw/zinc/56/94/81/974569481.db2.gz SGPGYNIBURHLEG-UHFFFAOYSA-N 0 1 223.341 2.447 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CCSC2=O)C[C@H]1C ZINC001172360486 974632407 /nfs/dbraw/zinc/63/24/07/974632407.db2.gz UZXADBSAHPBNLZ-ZNSHCXBVSA-N 0 1 227.373 2.433 20 0 BEADMN CCOCC[C@H](C)n1c(CN)nc2ccccc21 ZINC001172405605 974662154 /nfs/dbraw/zinc/66/21/54/974662154.db2.gz ADHSCDWFDIXCJZ-NSHDSACASA-N 0 1 247.342 2.483 20 0 BEADMN CCOCC[C@H](C)N1CC2(C1)CCCCO2 ZINC001172417704 974689561 /nfs/dbraw/zinc/68/95/61/974689561.db2.gz PLXFVOGUKDUMJB-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN Fc1ccc(F)c(O[C@H]2CN3CCC2CC3)c1 ZINC001225902888 974722200 /nfs/dbraw/zinc/72/22/00/974722200.db2.gz QNAATZJIASSSPH-ZDUSSCGKSA-N 0 1 239.265 2.438 20 0 BEADMN CC[C@H](CC(C)C)N[C@H]1CCSC1=O ZINC001172390553 974739961 /nfs/dbraw/zinc/73/99/61/974739961.db2.gz VDOLRRNHZTZSHE-ZJUUUORDSA-N 0 1 215.362 2.433 20 0 BEADMN COc1ccc(O[C@@H]2CCN(C)C2)c(F)c1F ZINC001225954772 974741696 /nfs/dbraw/zinc/74/16/96/974741696.db2.gz FVPQWOKXDGHEBZ-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN O=c1cc(C(F)(F)F)nc(OC2CC=CC2)[nH]1 ZINC001225979160 974749213 /nfs/dbraw/zinc/74/92/13/974749213.db2.gz CIAXRHRCBJHLPM-UHFFFAOYSA-N 0 1 246.188 2.298 20 0 BEADMN CCCOC[C@@H](C)Oc1cccc2[nH]nnc21 ZINC001225991211 974753366 /nfs/dbraw/zinc/75/33/66/974753366.db2.gz WSJZKLFVPICQBX-SECBINFHSA-N 0 1 235.287 2.152 20 0 BEADMN C1=CCC(Oc2cccc3[nH]nnc32)C1 ZINC001225991059 974754162 /nfs/dbraw/zinc/75/41/62/974754162.db2.gz RUKDPKXCBAKZNI-UHFFFAOYSA-N 0 1 201.229 2.055 20 0 BEADMN CC[C@@H](CC(C)C)N1CC[C@H]1C(=O)OC ZINC001172397510 974756321 /nfs/dbraw/zinc/75/63/21/974756321.db2.gz QUFDIDUZVRACAM-QWRGUYRKSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1CN(Cc2cnc[nH]2)c2cccc(F)c2O1 ZINC001331550962 974757242 /nfs/dbraw/zinc/75/72/42/974757242.db2.gz XVRNRZIPJQFZIL-SECBINFHSA-N 0 1 247.273 2.336 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)C1CCOCC1 ZINC001225997405 974758225 /nfs/dbraw/zinc/75/82/25/974758225.db2.gz QIMBXSAJSYDWRM-VIFPVBQESA-N 0 1 247.298 2.152 20 0 BEADMN CC(=O)c1ccc(O[C@H]2CCN(C)C2)c(C)c1 ZINC001226037787 974766933 /nfs/dbraw/zinc/76/69/33/974766933.db2.gz RWSKASFSAYLCOS-ZDUSSCGKSA-N 0 1 233.311 2.281 20 0 BEADMN CC(C)COCC[C@@H](C)N1CC2(C1)CCCO2 ZINC001172473979 974768792 /nfs/dbraw/zinc/76/87/92/974768792.db2.gz NQVHRNRARWQJSP-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)COCC[C@@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172481594 974781033 /nfs/dbraw/zinc/78/10/33/974781033.db2.gz UBLCREATCBMQCA-MGPQQGTHSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@H](CCC(F)(F)F)NCc1csnn1 ZINC001331745528 974811842 /nfs/dbraw/zinc/81/18/42/974811842.db2.gz ZSQNCMHCWDQQQK-ZCFIWIBFSA-N 0 1 239.266 2.359 20 0 BEADMN COC(C)(C)C[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226157731 974814120 /nfs/dbraw/zinc/81/41/20/974814120.db2.gz DONHSRWWTXGRPF-SECBINFHSA-N 0 1 240.303 2.073 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)c1ccccn1 ZINC001226301779 974849219 /nfs/dbraw/zinc/84/92/19/974849219.db2.gz DQTMCVPQHQNBPM-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@@H]2Oc1n[nH]c2ncccc12 ZINC001226301450 974849782 /nfs/dbraw/zinc/84/97/82/974849782.db2.gz ADOMLQBNZPHLPW-NGZCFLSTSA-N 0 1 227.267 2.301 20 0 BEADMN COC1=CC[C@H](Oc2n[nH]c3ncccc23)CC1 ZINC001226306286 974852896 /nfs/dbraw/zinc/85/28/96/974852896.db2.gz RPDQMZCFNHYWGU-JTQLQIEISA-N 0 1 245.282 2.420 20 0 BEADMN CC(C)[C@@H](Oc1nccc(=O)[nH]1)C(F)(F)F ZINC001226324035 974855949 /nfs/dbraw/zinc/85/59/49/974855949.db2.gz GULQLCKDZUQYMI-SSDOTTSWSA-N 0 1 236.193 2.148 20 0 BEADMN O=c1ccnc(O[C@@H]2CCc3ccccc32)[nH]1 ZINC001226324643 974856470 /nfs/dbraw/zinc/85/64/70/974856470.db2.gz SZDAEGFAZKJHQB-LLVKDONJSA-N 0 1 228.251 2.249 20 0 BEADMN O=c1ccnc(OC2CCC(F)(F)CC2)[nH]1 ZINC001226324262 974856680 /nfs/dbraw/zinc/85/66/80/974856680.db2.gz JBKAZOBRNWZGQK-UHFFFAOYSA-N 0 1 230.214 2.139 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Oc1nccc(=O)[nH]1 ZINC001226324651 974857270 /nfs/dbraw/zinc/85/72/70/974857270.db2.gz TWRRBUJPPHUXGK-BDAKNGLRSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nccc(=O)[nH]2)C[C@@H]1C ZINC001226324068 974857317 /nfs/dbraw/zinc/85/73/17/974857317.db2.gz HPHUHBQELFLAKG-UTLUCORTSA-N 0 1 222.288 2.386 20 0 BEADMN CCC=C(F)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001331940638 974878747 /nfs/dbraw/zinc/87/87/47/974878747.db2.gz UKCHRCMBTDVXDS-FNORWQNLSA-N 0 1 226.255 2.130 20 0 BEADMN CC/C=C(/F)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001331940638 974878752 /nfs/dbraw/zinc/87/87/52/974878752.db2.gz UKCHRCMBTDVXDS-FNORWQNLSA-N 0 1 226.255 2.130 20 0 BEADMN C[C@H]1COC[C@@H]1Oc1cc(N)nc2ccccc21 ZINC001226419416 974890572 /nfs/dbraw/zinc/89/05/72/974890572.db2.gz VDQLUGSTSMXIKH-ZANVPECISA-N 0 1 244.294 2.231 20 0 BEADMN Clc1ccc2c(c1)C[C@H](N1CC3(COC3)C1)C2 ZINC001172720387 974905117 /nfs/dbraw/zinc/90/51/17/974905117.db2.gz YXAILWIXMWTCIQ-CYBMUJFWSA-N 0 1 249.741 2.139 20 0 BEADMN CC[C@@](N)(CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724722 974908991 /nfs/dbraw/zinc/90/89/91/974908991.db2.gz YIKMVDHMFRUYOC-AWEZNQCLSA-N 0 1 240.391 2.136 20 0 BEADMN Oc1ccc(CN2CC(c3cccnc3)C2)cc1 ZINC001204098033 974909132 /nfs/dbraw/zinc/90/91/32/974909132.db2.gz SRJRQXCREQPRJX-UHFFFAOYSA-N 0 1 240.306 2.387 20 0 BEADMN CC[C@](N)(CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724723 974910055 /nfs/dbraw/zinc/91/00/55/974910055.db2.gz YIKMVDHMFRUYOC-CQSZACIVSA-N 0 1 240.391 2.136 20 0 BEADMN CCCCOC1CN([C@@H]2CCC[C@H](OC)C2)C1 ZINC001172935392 974990429 /nfs/dbraw/zinc/99/04/29/974990429.db2.gz ASAYEXKOQCNFCO-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CCCCOC1CN([C@H]2CCC[C@H](OC)C2)C1 ZINC001172935394 974992348 /nfs/dbraw/zinc/99/23/48/974992348.db2.gz ASAYEXKOQCNFCO-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CCCOC1CN([C@@H]2CCC[C@H](OC)C2)C1 ZINC001172938297 974993063 /nfs/dbraw/zinc/99/30/63/974993063.db2.gz KZHCWMVIHSDMBF-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CCCOC1CCC(NCc2ncccn2)CC1 ZINC001173088306 975017345 /nfs/dbraw/zinc/01/73/45/975017345.db2.gz WVTCAFMEHXEZGO-UHFFFAOYSA-N 0 1 249.358 2.304 20 0 BEADMN CCCOC1CCC(N2CC3(CCO3)C2)CC1 ZINC001173100870 975021180 /nfs/dbraw/zinc/02/11/80/975021180.db2.gz XGGXOPFBZWVSCD-UHFFFAOYSA-N 0 1 239.359 2.199 20 0 BEADMN CCN1CC[C@H](Oc2cccc(O)c2C(C)=O)C1 ZINC001226773275 975073359 /nfs/dbraw/zinc/07/33/59/975073359.db2.gz GZIJZGONZDVFMG-NSHDSACASA-N 0 1 249.310 2.068 20 0 BEADMN CCCCC[C@@H]([NH2+]Cc1cnc(C)o1)C(=O)[O-] ZINC001332423204 975109574 /nfs/dbraw/zinc/10/95/74/975109574.db2.gz MBICMONTBRBKGS-LLVKDONJSA-N 0 1 240.303 2.106 20 0 BEADMN CC[C@H]1CC[C@H](NCc2nccc(C)n2)C1 ZINC001173261729 975111565 /nfs/dbraw/zinc/11/15/65/975111565.db2.gz UPAYAGGAVRAVEH-RYUDHWBXSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2nccc(C)n2)C1 ZINC001173261727 975113256 /nfs/dbraw/zinc/11/32/56/975113256.db2.gz UPAYAGGAVRAVEH-NWDGAFQWSA-N 0 1 219.332 2.453 20 0 BEADMN CC(=O)c1cc(O)ccc1O[C@@H]1CCCN(C)C1 ZINC001226850122 975122262 /nfs/dbraw/zinc/12/22/62/975122262.db2.gz ZMLSNZDRMHTOKC-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CC[C@H]1CC[C@@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001173264395 975124762 /nfs/dbraw/zinc/12/47/62/975124762.db2.gz SFIPXUUQEZPDQI-WDEREUQCSA-N 0 1 249.291 2.113 20 0 BEADMN CCOC(=O)C[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928762 975157152 /nfs/dbraw/zinc/15/71/52/975157152.db2.gz QUDUWBUJMMVRNT-SECBINFHSA-N 0 1 248.282 2.283 20 0 BEADMN O=C1CCCC[C@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929782 975158819 /nfs/dbraw/zinc/15/88/19/975158819.db2.gz KKAWXBMDMZQADJ-CYBMUJFWSA-N 0 1 230.267 2.453 20 0 BEADMN CCO[C@@H](C)COc1[nH]c(=O)nc2ccccc21 ZINC001226977196 975198752 /nfs/dbraw/zinc/19/87/52/975198752.db2.gz NXNHQSYTELFADM-VIFPVBQESA-N 0 1 248.282 2.139 20 0 BEADMN CCC[C@H](CC)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000270 975216626 /nfs/dbraw/zinc/21/66/26/975216626.db2.gz HIYBPRFYHRMXDI-QMMMGPOBSA-N 0 1 226.276 2.148 20 0 BEADMN CC[C@H]1CC[C@H](n2nc(COC)c3c2CNC3)C1 ZINC001173278835 975235906 /nfs/dbraw/zinc/23/59/06/975235906.db2.gz FYPLDZJNHWHIBX-QWRGUYRKSA-N 0 1 249.358 2.384 20 0 BEADMN CCc1nc(NC(=O)C(C)=Cc2ccco2)n[nH]1 ZINC001332656471 975241285 /nfs/dbraw/zinc/24/12/85/975241285.db2.gz AJDAZIYTKUPQNI-BQYQJAHWSA-N 0 1 246.270 2.002 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)=Cc2ccco2)n1 ZINC001332656471 975241293 /nfs/dbraw/zinc/24/12/93/975241293.db2.gz AJDAZIYTKUPQNI-BQYQJAHWSA-N 0 1 246.270 2.002 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCc3ncn(C)c3C2)C1 ZINC001173284191 975242741 /nfs/dbraw/zinc/24/27/41/975242741.db2.gz OFZOAUCTNTWFDU-VXGBXAGGSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H]1CC[C@H](N(CC)CC(=O)OC)C1 ZINC001173284581 975244119 /nfs/dbraw/zinc/24/41/19/975244119.db2.gz QSCQUWCDVDCOSD-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H]1CC[C@H](N(CC)CC(=O)OC)C1 ZINC001173284582 975245218 /nfs/dbraw/zinc/24/52/18/975245218.db2.gz QSCQUWCDVDCOSD-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCSC[C@H](C)NCc1nccnc1Cl ZINC001173287834 975249941 /nfs/dbraw/zinc/24/99/41/975249941.db2.gz PBTAHHCLDMCIFD-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN CCN1CCN(Cc2cnc[nH]2)c2ccccc21 ZINC001332704093 975261507 /nfs/dbraw/zinc/26/15/07/975261507.db2.gz BRWSGHMYRVBERW-UHFFFAOYSA-N 0 1 242.326 2.256 20 0 BEADMN CC(=O)c1ccc(C)cc1O[C@@H]1CCN(C)C1 ZINC001227113525 975283709 /nfs/dbraw/zinc/28/37/09/975283709.db2.gz HSIDTBHPNAVEKL-GFCCVEGCSA-N 0 1 233.311 2.281 20 0 BEADMN Cc1cccc(NC(=O)[C@@H]2CCCN2C(C)C)n1 ZINC001332871179 975300353 /nfs/dbraw/zinc/30/03/53/975300353.db2.gz ZLUBZBSIWLXWHV-LBPRGKRZSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cccc(NC(=O)[C@H]2CCCN2C(C)C)n1 ZINC001332871178 975301639 /nfs/dbraw/zinc/30/16/39/975301639.db2.gz ZLUBZBSIWLXWHV-GFCCVEGCSA-N 0 1 247.342 2.201 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@H]2CC[C@@H]2C)n1 ZINC001332891320 975308968 /nfs/dbraw/zinc/30/89/68/975308968.db2.gz ARSBRRMXWWSPCP-QXEWZRGKSA-N 0 1 222.336 2.056 20 0 BEADMN C[C@H]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227270391 975347264 /nfs/dbraw/zinc/34/72/64/975347264.db2.gz GUFNCINOTSRQRX-YUMQZZPRSA-N 0 1 233.271 2.231 20 0 BEADMN c1snnc1CNCC1Cc2ccccc2C1 ZINC001333000862 975367837 /nfs/dbraw/zinc/36/78/37/975367837.db2.gz PZJCVDBDIXJJGV-UHFFFAOYSA-N 0 1 245.351 2.043 20 0 BEADMN OCC1(CNc2ccc3nc[nH]c3c2)CCC1 ZINC000258987042 975369272 /nfs/dbraw/zinc/36/92/72/975369272.db2.gz MQNOCEZATXLJEH-UHFFFAOYSA-N 0 1 231.299 2.137 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@H]2CC23CCC3)cc1 ZINC000721259748 975502194 /nfs/dbraw/zinc/50/21/94/975502194.db2.gz XZHJOXBUOIPYFV-QWHCGFSZSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@H]1CC[C@@H](Oc2ncnc3nc[nH]c32)CC1 ZINC001227533574 975519835 /nfs/dbraw/zinc/51/98/35/975519835.db2.gz DNLBQMLDDWDDGJ-DTORHVGOSA-N 0 1 232.287 2.310 20 0 BEADMN CC1(C)CCCC[C@H]1C(=O)OCc1nnc[nH]1 ZINC001333227804 975578926 /nfs/dbraw/zinc/57/89/26/975578926.db2.gz LXDQWTSWJMLCCU-VIFPVBQESA-N 0 1 237.303 2.064 20 0 BEADMN O=C(/C=C\C1CCCCCC1)OCc1nnc[nH]1 ZINC001333230080 975583118 /nfs/dbraw/zinc/58/31/18/975583118.db2.gz ULQKSINQXCUFRX-FPLPWBNLSA-N 0 1 249.314 2.375 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]1 ZINC001227807773 975707537 /nfs/dbraw/zinc/70/75/37/975707537.db2.gz BPDVVERKTRFOBD-KHQFGBGNSA-N 0 1 245.282 2.231 20 0 BEADMN COc1ccc(Nc2ccnc(CO)c2)cc1F ZINC001173861524 975804613 /nfs/dbraw/zinc/80/46/13/975804613.db2.gz LSHNFWNYXANDNS-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN Cc1nocc1C[N@H+]1CC2CCC1CC2 ZINC001333588232 975871168 /nfs/dbraw/zinc/87/11/68/975871168.db2.gz UIXOJPOZAFVRGA-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN CC(=O)c1cc(O)cc(O[C@H]2CCCN(C)C2)c1 ZINC001228047517 975875415 /nfs/dbraw/zinc/87/54/15/975875415.db2.gz HWBIVGXKDSVGJD-ZDUSSCGKSA-N 0 1 249.310 2.068 20 0 BEADMN FC(F)Oc1ncccc1Nc1ccncc1 ZINC001173881482 975921779 /nfs/dbraw/zinc/92/17/79/975921779.db2.gz VDXQJJNNMGEYTF-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN Cc1cc(F)nc(Nc2ccncc2)c1 ZINC001173882606 975931385 /nfs/dbraw/zinc/93/13/85/975931385.db2.gz RGNJQRWJXXTCFG-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN CCOc1cc(Nc2ccncc2)ccn1 ZINC001173882161 975932947 /nfs/dbraw/zinc/93/29/47/975932947.db2.gz UKPLUEWOLWAWET-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN c1nc2ccc(Nc3ccncc3)cc2o1 ZINC001173882392 975933213 /nfs/dbraw/zinc/93/32/13/975933213.db2.gz HMTCZASHUQMYDZ-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN Nc1ccc2cn(-c3ccncc3)nc2c1 ZINC001173882386 975934495 /nfs/dbraw/zinc/93/44/95/975934495.db2.gz GZZUVGLPCLEEGZ-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CCC(CC)(CC)[S@@](=O)Cc1nc[nH]n1 ZINC001333655652 975938921 /nfs/dbraw/zinc/93/89/21/975938921.db2.gz LIUNWQMUBUAIPD-HNNXBMFYSA-N 0 1 229.349 2.022 20 0 BEADMN COC(=O)c1ccc(Nc2ccncc2)cc1C ZINC001173882685 975941150 /nfs/dbraw/zinc/94/11/50/975941150.db2.gz OVKWRSSRICEZJF-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN c1nc2c(cccc2Nc2ccncc2)o1 ZINC001173883516 975951705 /nfs/dbraw/zinc/95/17/05/975951705.db2.gz LDVCIXLUCZWEKP-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN Oc1cc(Nc2ccncc2)c(F)cc1F ZINC001173883431 975958714 /nfs/dbraw/zinc/95/87/14/975958714.db2.gz JIZXXUNYORTWFR-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN Cc1c2ccc(Nc3ccncc3)cc2nn1C ZINC001173883281 975960787 /nfs/dbraw/zinc/96/07/87/975960787.db2.gz FMQUDOZRUBENGI-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN Nc1cc2cn(-c3ccncc3)nc2cc1F ZINC001173883722 975962457 /nfs/dbraw/zinc/96/24/57/975962457.db2.gz XYOOKDPNIDIONU-UHFFFAOYSA-N 0 1 228.230 2.142 20 0 BEADMN O=c1[nH]oc2ccc(Nc3ccncc3)cc21 ZINC001173884444 975964434 /nfs/dbraw/zinc/96/44/34/975964434.db2.gz IZDSQNFTNXVFHP-UHFFFAOYSA-N 0 1 227.223 2.094 20 0 BEADMN OCc1ccc(F)c(F)c1Nc1ccncc1 ZINC001173884474 975975927 /nfs/dbraw/zinc/97/59/27/975975927.db2.gz PMGKONIUBJSZDG-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN C=CC(=O)Nc1cccc(Nc2ccncc2)c1 ZINC001173885225 975983765 /nfs/dbraw/zinc/98/37/65/975983765.db2.gz PEYXMTLEAJFVKF-UHFFFAOYSA-N 0 1 239.278 2.372 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@@H](C)c1cc(C)oc1C ZINC001333706064 976013988 /nfs/dbraw/zinc/01/39/88/976013988.db2.gz DLMIENAWCGHOHO-SCZZXKLOSA-N 0 1 239.315 2.499 20 0 BEADMN COc1ccc2nc(N)n(-c3ccoc3)c2c1 ZINC001173932796 976046548 /nfs/dbraw/zinc/04/65/48/976046548.db2.gz ROTIOSKHUBGPGQ-UHFFFAOYSA-N 0 1 229.239 2.209 20 0 BEADMN Cc1ncn(-c2cccc(F)c2F)c1N ZINC001173946660 976095272 /nfs/dbraw/zinc/09/52/72/976095272.db2.gz HPWAANKLKYQHNQ-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN COC[C@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228327579 976124031 /nfs/dbraw/zinc/12/40/31/976124031.db2.gz RXORQJNWDAIBGO-QMMMGPOBSA-N 0 1 220.272 2.285 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2nc(O)cc(=O)[nH]2)[C@@H]1C ZINC001228388789 976183864 /nfs/dbraw/zinc/18/38/64/976183864.db2.gz NGAHADJQMVZAET-HLTSFMKQSA-N 0 1 238.287 2.091 20 0 BEADMN O=c1ncc(Cl)c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001228480943 976246800 /nfs/dbraw/zinc/24/68/00/976246800.db2.gz UDORQFJPWKWMMD-LKEWCRSYSA-N 0 1 238.674 2.179 20 0 BEADMN C[C@@H](NC1(C2CC2)CC1)c1ncccn1 ZINC001334049733 976248552 /nfs/dbraw/zinc/24/85/52/976248552.db2.gz SMQHTBJJWFAHLJ-SECBINFHSA-N 0 1 203.289 2.070 20 0 BEADMN Cc1[nH+]c(N2CCC[C@@H](F)C2)ccc1C(=O)[O-] ZINC000689483630 976257168 /nfs/dbraw/zinc/25/71/68/976257168.db2.gz WXNNLNHAUGWEHX-SECBINFHSA-N 0 1 238.262 2.027 20 0 BEADMN C[C@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])C1CC1 ZINC000689942816 976268831 /nfs/dbraw/zinc/26/88/31/976268831.db2.gz ABIQZUVKETXFEE-SECBINFHSA-N 0 1 239.340 2.228 20 0 BEADMN COCc1cccc(Nc2cncn2C)c1 ZINC001174093305 976293168 /nfs/dbraw/zinc/29/31/68/976293168.db2.gz NBXXWXZCXXFTDB-UHFFFAOYSA-N 0 1 217.272 2.310 20 0 BEADMN CC(C)Oc1cccc(-n2cncc2N)c1 ZINC001174112608 976320398 /nfs/dbraw/zinc/32/03/98/976320398.db2.gz OHGPMPINZIEMRO-UHFFFAOYSA-N 0 1 217.272 2.242 20 0 BEADMN Cc1ccncc1-n1[nH]c(=O)c2cc(N)ccc21 ZINC001174117471 976341535 /nfs/dbraw/zinc/34/15/35/976341535.db2.gz XSKIHIVWWYIONP-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1nnc(OC)s1 ZINC001334194047 976368969 /nfs/dbraw/zinc/36/89/69/976368969.db2.gz MVOJQZKNIPHECQ-BDAKNGLRSA-N 0 1 241.360 2.215 20 0 BEADMN COc1ccc(-n2cncc2N)cc1Cl ZINC001174152257 976378986 /nfs/dbraw/zinc/37/89/86/976378986.db2.gz LSQQZEMXPSWRKX-UHFFFAOYSA-N 0 1 223.663 2.117 20 0 BEADMN CC[C@H](C)c1nn(C)cc1CN1CC(C)C1 ZINC001249402863 976385072 /nfs/dbraw/zinc/38/50/72/976385072.db2.gz UJNSWGKGZCSMOW-NSHDSACASA-N 0 1 221.348 2.385 20 0 BEADMN COc1ccc(F)c(Nc2ccnc(CO)c2)c1 ZINC001174210311 976388367 /nfs/dbraw/zinc/38/83/67/976388367.db2.gz WBUGTFHHOHCJIG-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN Cc1cc(C)nc(CN2CC[C@]23CCOC3)c1 ZINC001334291720 976428885 /nfs/dbraw/zinc/42/88/85/976428885.db2.gz VDBGSLUVJKKYDZ-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN Nc1cn(-c2ccc3n[nH]cc3c2)c2ncccc12 ZINC001174273092 976496548 /nfs/dbraw/zinc/49/65/48/976496548.db2.gz NSBUDPWONKLMAK-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1cc(CO)on1 ZINC001334404579 976498762 /nfs/dbraw/zinc/49/87/62/976498762.db2.gz YGKTTWHNKHLSIF-AEJSXWLSSA-N 0 1 242.294 2.098 20 0 BEADMN Cn1cncc1Nc1ccc2n[nH]cc2c1 ZINC001174275075 976499925 /nfs/dbraw/zinc/49/99/25/976499925.db2.gz OAAOWCIJZQNOIE-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN CN1CC[C@H](Oc2ccc3c(c2)C(=O)CCC3)C1 ZINC001228840786 976516448 /nfs/dbraw/zinc/51/64/48/976516448.db2.gz TWJWAYZLGXPEMQ-ZDUSSCGKSA-N 0 1 245.322 2.289 20 0 BEADMN OCc1cccnc1Nc1cccc2[nH]ncc21 ZINC001174342756 976564293 /nfs/dbraw/zinc/56/42/93/976564293.db2.gz FXIRXUQNRQWWFA-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1cnc(Nc2cccc3[nH]ncc32)cn1 ZINC001174342926 976566226 /nfs/dbraw/zinc/56/62/26/976566226.db2.gz WLBILBZIRPMFIN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cnc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343180 976571300 /nfs/dbraw/zinc/57/13/00/976571300.db2.gz KREVKJHZEPIUBS-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN OCc1cccc(Nc2cccc3[nH]ncc32)n1 ZINC001174343767 976572951 /nfs/dbraw/zinc/57/29/51/976572951.db2.gz XJGLBJKWGKZBAB-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174343316 976575045 /nfs/dbraw/zinc/57/50/45/976575045.db2.gz QFGVLVNEPCHREU-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CCCC[C@H]2C)n1 ZINC001228918074 976576459 /nfs/dbraw/zinc/57/64/59/976576459.db2.gz LKTHCKWZUXPGDB-BDAKNGLRSA-N 0 1 238.287 2.148 20 0 BEADMN COc1cc(=O)[nH]c(OC(C(C)C)C(C)C)n1 ZINC001228917558 976577879 /nfs/dbraw/zinc/57/78/79/976577879.db2.gz FUVOMVYORLASBV-UHFFFAOYSA-N 0 1 240.303 2.250 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CCC[C@@H](C)C2)n1 ZINC001228918343 976579516 /nfs/dbraw/zinc/57/95/16/976579516.db2.gz OJZPJQHYKTXTCI-BDAKNGLRSA-N 0 1 238.287 2.148 20 0 BEADMN CCn1cnc(CN[C@H]2C=CCCC2)c1 ZINC001334708801 976588643 /nfs/dbraw/zinc/58/86/43/976588643.db2.gz WAPYLYLQISDMOW-NSHDSACASA-N 0 1 205.305 2.101 20 0 BEADMN c1nonc1CNC1(C2CCCCC2)CC1 ZINC001334691020 976590282 /nfs/dbraw/zinc/59/02/82/976590282.db2.gz LTBZYVIBISXPQR-UHFFFAOYSA-N 0 1 221.304 2.272 20 0 BEADMN Cc1ccnc(Cl)c1O[C@H]1CCN(C)C1 ZINC001228986562 976610386 /nfs/dbraw/zinc/61/03/86/976610386.db2.gz GGSLSDHDQGUFFW-VIFPVBQESA-N 0 1 226.707 2.126 20 0 BEADMN Cc1cc(CNc2cnc(C(C)(C)C)nc2)n[nH]1 ZINC001334743322 976615243 /nfs/dbraw/zinc/61/52/43/976615243.db2.gz PYMFJEDJOZGHDQ-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN CC(=O)c1c(C)cccc1O[C@@H]1CCN(C)C1 ZINC001228990170 976617461 /nfs/dbraw/zinc/61/74/61/976617461.db2.gz VBNUARWCDRSZBK-GFCCVEGCSA-N 0 1 233.311 2.281 20 0 BEADMN C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC001334777038 976648177 /nfs/dbraw/zinc/64/81/77/976648177.db2.gz NSFXSORLOZSDPP-ZETCQYMHSA-N 0 1 242.344 2.003 20 0 BEADMN CCN1CCC[C@H](Oc2ccc(C(C)=O)nc2)C1 ZINC001229013460 976648326 /nfs/dbraw/zinc/64/83/26/976648326.db2.gz VJZBGPMGYSNWDK-ZDUSSCGKSA-N 0 1 248.326 2.147 20 0 BEADMN CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000259681979 976669626 /nfs/dbraw/zinc/66/96/26/976669626.db2.gz JTQKPNICMAAJCN-AAEUAGOBSA-N 0 1 248.326 2.028 20 0 BEADMN OCc1cc(Nc2ccnc3[nH]ccc32)ccn1 ZINC001174410082 976697140 /nfs/dbraw/zinc/69/71/40/976697140.db2.gz IPZYKOGBENMIPP-UHFFFAOYSA-N 0 1 240.266 2.145 20 0 BEADMN COc1ncc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174498087 976717045 /nfs/dbraw/zinc/71/70/45/976717045.db2.gz UBVGWBSIGPKJBZ-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Nc1cc(F)cnc1Nc1ccc2cn[nH]c2c1 ZINC001174497601 976723304 /nfs/dbraw/zinc/72/33/04/976723304.db2.gz AKLUXCKGSPXKES-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN OCc1ncccc1Nc1ccc2c[nH]nc2c1 ZINC001174499122 976728272 /nfs/dbraw/zinc/72/82/72/976728272.db2.gz ZIKWFMFGWJNKKJ-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN c1[nH]nc2cc(Nc3cncnc3)ccc12 ZINC001174499514 976732168 /nfs/dbraw/zinc/73/21/68/976732168.db2.gz SJBZAESJVUVPSE-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN CCOc1ncccc1Nc1ccnc(CO)c1 ZINC001174457160 976737840 /nfs/dbraw/zinc/73/78/40/976737840.db2.gz NHHBXFYWOZBAIT-UHFFFAOYSA-N 0 1 245.282 2.111 20 0 BEADMN O=c1ccc(Nc2ccc3c[nH]nc3c2)c[nH]1 ZINC001174499808 976763600 /nfs/dbraw/zinc/76/36/00/976763600.db2.gz YBNWFVHDOZXAAY-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN CC(C)C(Oc1[nH]c(=O)[nH]c(=O)c1F)C(C)C ZINC001229123934 976765895 /nfs/dbraw/zinc/76/58/95/976765895.db2.gz HRSYMIMLNWSVIA-UHFFFAOYSA-N 0 1 244.266 2.086 20 0 BEADMN CCCc1ccccc1C(=O)OCc1nnc[nH]1 ZINC001334913434 976787182 /nfs/dbraw/zinc/78/71/82/976787182.db2.gz IHDIMXRVHGJUAW-UHFFFAOYSA-N 0 1 245.282 2.114 20 0 BEADMN Cc1[nH+]c(NC2CC(F)(F)C2)ccc1C(=O)[O-] ZINC000697512095 976846787 /nfs/dbraw/zinc/84/67/87/976846787.db2.gz BXAOJGUEKAKDFB-UHFFFAOYSA-N 0 1 242.225 2.298 20 0 BEADMN CC(C)=CNc1ncccc1N1CCN(C)CC1 ZINC001174556217 976865124 /nfs/dbraw/zinc/86/51/24/976865124.db2.gz COYBNGFZXWQYHY-UHFFFAOYSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H](C)CC(C)C)n1 ZINC001229441763 976872149 /nfs/dbraw/zinc/87/21/49/976872149.db2.gz XUKINCKHUZREPT-QMMMGPOBSA-N 0 1 234.303 2.475 20 0 BEADMN COc1c(F)ccc(F)c1-n1cnc(C)c1N ZINC001174661638 976955433 /nfs/dbraw/zinc/95/54/33/976955433.db2.gz MHIDVHVPLBXFEL-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN C=CNc1snc(C)c1C(=O)OCC ZINC001174780814 976995263 /nfs/dbraw/zinc/99/52/63/976995263.db2.gz XXCQLCMEGVQFDF-UHFFFAOYSA-N 0 1 212.274 2.184 20 0 BEADMN C=CNc1nc2cccc(C(F)(F)F)n2n1 ZINC001174782026 976999013 /nfs/dbraw/zinc/99/90/13/976999013.db2.gz VINURTHXBDEBPH-UHFFFAOYSA-N 0 1 228.177 2.304 20 0 BEADMN CCCN(C)c1ccccc1NCc1nnc[nH]1 ZINC001335364240 977003451 /nfs/dbraw/zinc/00/34/51/977003451.db2.gz OPWNUEPTWCQMFP-UHFFFAOYSA-N 0 1 245.330 2.263 20 0 BEADMN COc1ccc(Nc2cncn2C)cc1C ZINC001174827443 977085943 /nfs/dbraw/zinc/08/59/43/977085943.db2.gz HYUVSVFYMVZRJX-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cn1ncc(CNC(C)(C)CF)c1C1CC1 ZINC001335490556 977094312 /nfs/dbraw/zinc/09/43/12/977094312.db2.gz TUXMFCSKHNPQIV-UHFFFAOYSA-N 0 1 225.311 2.135 20 0 BEADMN CO[C@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC001335498665 977101290 /nfs/dbraw/zinc/10/12/90/977101290.db2.gz WELDTJNLZUKMCF-QMMMGPOBSA-N 0 1 246.232 2.326 20 0 BEADMN CC(C)OC(=O)c1cccc(-n2cncc2N)c1 ZINC001174915464 977158579 /nfs/dbraw/zinc/15/85/79/977158579.db2.gz NDOVYXVTOLHEDO-UHFFFAOYSA-N 0 1 245.282 2.020 20 0 BEADMN CC[C@@H](Oc1nc(C(=O)OC)c[nH]1)C(C)(C)C ZINC001230282127 977158574 /nfs/dbraw/zinc/15/85/74/977158574.db2.gz PMBDOEMSMXWIGJ-SECBINFHSA-N 0 1 240.303 2.400 20 0 BEADMN Oc1ccc(F)cc1O[C@@H]1CN2CCC1CC2 ZINC001230291893 977168271 /nfs/dbraw/zinc/16/82/71/977168271.db2.gz XTWRDPQPNCITME-CYBMUJFWSA-N 0 1 237.274 2.004 20 0 BEADMN COc1cc(Nc2cncn2C)ccc1C ZINC001175014407 977208939 /nfs/dbraw/zinc/20/89/39/977208939.db2.gz NQCASUAFAOTOTC-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cc1ncn(-c2c(F)cc(F)cc2F)c1N ZINC001175146767 977286185 /nfs/dbraw/zinc/28/61/85/977286185.db2.gz DIZYBMXXWWGLRF-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN CC(=O)c1ccccc1Nc1nnc(C)o1 ZINC001175172051 977318355 /nfs/dbraw/zinc/31/83/55/977318355.db2.gz BUJWRFRSFLNICZ-UHFFFAOYSA-N 0 1 217.228 2.324 20 0 BEADMN CCOc1ccc(F)c(F)c1-n1cncc1N ZINC001175283239 977346133 /nfs/dbraw/zinc/34/61/33/977346133.db2.gz WLDUWFDFRMBMER-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN C[C@@H](NC[C@@H](O)CC1CCCC1)c1cnccn1 ZINC001335883457 977348255 /nfs/dbraw/zinc/34/82/55/977348255.db2.gz YPHUYKHVDOOGLB-YPMHNXCESA-N 0 1 249.358 2.068 20 0 BEADMN Cc1ccc2c(c1)nc(=O)[nH]c2OC1CC1 ZINC001230888419 977357165 /nfs/dbraw/zinc/35/71/65/977357165.db2.gz MIJZDMARQRVVJP-UHFFFAOYSA-N 0 1 216.240 2.185 20 0 BEADMN Cc1nnsc1[C@@H](C)N(C)CCCCCO ZINC001335965392 977389185 /nfs/dbraw/zinc/38/91/85/977389185.db2.gz FFWKWQKYNVZRRY-SNVBAGLBSA-N 0 1 243.376 2.002 20 0 BEADMN CC(=O)c1cc(O[C@H]2CCN(C)C2)ccc1F ZINC001230953603 977397387 /nfs/dbraw/zinc/39/73/87/977397387.db2.gz KTJFTJDEKXILCH-NSHDSACASA-N 0 1 237.274 2.111 20 0 BEADMN Cc1nnc(Nc2cccc3cnn(C)c32)o1 ZINC001175440748 977429320 /nfs/dbraw/zinc/42/93/20/977429320.db2.gz RIYAWMKFMYXXTE-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN Cc1cccc(F)c1O[C@H]1CC[N@H+](C)C1 ZINC001231034482 977436724 /nfs/dbraw/zinc/43/67/24/977436724.db2.gz MXKXXAUXDMJIOL-JTQLQIEISA-N 0 1 209.264 2.217 20 0 BEADMN Cc1cccc(F)c1O[C@H]1CCN(C)C1 ZINC001231034482 977436733 /nfs/dbraw/zinc/43/67/33/977436733.db2.gz MXKXXAUXDMJIOL-JTQLQIEISA-N 0 1 209.264 2.217 20 0 BEADMN CCc1csc([C@H](C)NC[C@@H](O)C2CC2)n1 ZINC001336038513 977445634 /nfs/dbraw/zinc/44/56/34/977445634.db2.gz ZFDFQCDZSMWPRE-GZMMTYOYSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cncs1 ZINC001175496090 977452393 /nfs/dbraw/zinc/45/23/93/977452393.db2.gz QRPNZBYWANZOKF-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cccnn1 ZINC001175526471 977502315 /nfs/dbraw/zinc/50/23/15/977502315.db2.gz WNPNCFRCXLERDZ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(CO)cc1 ZINC001175562770 977543105 /nfs/dbraw/zinc/54/31/05/977543105.db2.gz NUNSQSJMRSAKNG-UHFFFAOYSA-N 0 1 239.278 2.100 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC001336165095 977549721 /nfs/dbraw/zinc/54/97/21/977549721.db2.gz SVBBTFRGPWGTGL-CYBMUJFWSA-N 0 1 238.375 2.262 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)CN(CC)C1CC1 ZINC001336165095 977549735 /nfs/dbraw/zinc/54/97/35/977549735.db2.gz SVBBTFRGPWGTGL-CYBMUJFWSA-N 0 1 238.375 2.262 20 0 BEADMN COc1ccc(NC2=CCCN(C)C2)c(C)n1 ZINC001175574225 977570951 /nfs/dbraw/zinc/57/09/51/977570951.db2.gz QZPIPDAPBCGABE-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN COc1cccc(NC2=CCCN(C)C2)c1OC ZINC001175576499 977579054 /nfs/dbraw/zinc/57/90/54/977579054.db2.gz LKLSMWNFQSYRNC-UHFFFAOYSA-N 0 1 248.326 2.335 20 0 BEADMN CCc1cccnc1NC1=CCCN(C)C1 ZINC001175575501 977582182 /nfs/dbraw/zinc/58/21/82/977582182.db2.gz YFUIUPCAMPFMCF-UHFFFAOYSA-N 0 1 217.316 2.275 20 0 BEADMN CN1CCC=C(Nc2ccnn2C2CCC2)C1 ZINC001175577471 977586531 /nfs/dbraw/zinc/58/65/31/977586531.db2.gz URMNSXMFQXAJCZ-UHFFFAOYSA-N 0 1 232.331 2.239 20 0 BEADMN Cc1c(F)ccc(CN2CCC[C@H]2CO)c1F ZINC001231477114 977589876 /nfs/dbraw/zinc/58/98/76/977589876.db2.gz ZBDXOKVXJPYDJR-NSHDSACASA-N 0 1 241.281 2.230 20 0 BEADMN CN1CCC=C(Nc2ccc(F)c(O)c2)C1 ZINC001175579657 977596551 /nfs/dbraw/zinc/59/65/51/977596551.db2.gz PLPKNDJTTCJXQP-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN COc1cccc(O)c1NC1=CCCN(C)C1 ZINC001175579488 977598154 /nfs/dbraw/zinc/59/81/54/977598154.db2.gz WZXSJBDWHIRREB-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN F[C@@H]1CN(Cc2c[nH]c3cccnc23)C[C@@H]2C[C@@H]21 ZINC001231488145 977608072 /nfs/dbraw/zinc/60/80/72/977608072.db2.gz TWVVDYJGTDSZIR-ZMLRMANQSA-N 0 1 245.301 2.353 20 0 BEADMN F[C@H]1CCCN(Cc2c[nH]c3cccnc23)C1 ZINC001231490863 977613594 /nfs/dbraw/zinc/61/35/94/977613594.db2.gz WXGCLFDDTVOHMG-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cnccc23)[C@H](C)CO1 ZINC001231520038 977622343 /nfs/dbraw/zinc/62/23/43/977622343.db2.gz QOGQBFXDZDPZRK-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cnns3)cc12 ZINC001175693697 977622936 /nfs/dbraw/zinc/62/29/36/977622936.db2.gz HWXUMLOOZHMMIY-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cccnn3)cc21 ZINC001175692979 977623594 /nfs/dbraw/zinc/62/35/94/977623594.db2.gz TYYLWSRXIWRLRR-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1[nH]nc2cc(Nc3cccnn3)ccc21 ZINC001175659539 977635313 /nfs/dbraw/zinc/63/53/13/977635313.db2.gz MFIJJQMMSVFCHO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1[nH]nc2cc(Nc3ccnn3C)ccc12 ZINC001175659022 977635984 /nfs/dbraw/zinc/63/59/84/977635984.db2.gz DCOASTKHJUXOHW-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1nonc1Nc1ccc2c(c1)n[nH]c2C ZINC001175659077 977637622 /nfs/dbraw/zinc/63/76/22/977637622.db2.gz FBNZVUNBXODOHL-UHFFFAOYSA-N 0 1 245.242 2.007 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](CC(=O)[O-])C(C)(C)C2 ZINC001594390706 977643953 /nfs/dbraw/zinc/64/39/53/977643953.db2.gz WEVHWWBOGGZLGF-UHFFFAOYSA-N 0 1 233.311 2.216 20 0 BEADMN CCc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001231637741 977651980 /nfs/dbraw/zinc/65/19/80/977651980.db2.gz BJWOJLOJBFWGSY-HIFRSBDPSA-N 0 1 246.354 2.255 20 0 BEADMN CCc1ccc(CN2CC[C@H]3OCC[C@H]32)nc1 ZINC001231638024 977654110 /nfs/dbraw/zinc/65/41/10/977654110.db2.gz HPJGTFHAPWYUCI-ZIAGYGMSSA-N 0 1 232.327 2.007 20 0 BEADMN Cc1cncc(CNc2cc(C(=O)[O-])cc[nH+]2)c1 ZINC001594433967 977660745 /nfs/dbraw/zinc/66/07/45/977660745.db2.gz YZRIZRZREQJAIN-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN OCCc1cccnc1NC1=CCCCC1 ZINC001175751203 977682985 /nfs/dbraw/zinc/68/29/85/977682985.db2.gz HAVPMXUVCMXGAZ-UHFFFAOYSA-N 0 1 218.300 2.486 20 0 BEADMN Cn1cncc1Nc1cnn(C2CCC2)c1 ZINC001175760952 977718242 /nfs/dbraw/zinc/71/82/42/977718242.db2.gz URRUPIXOWIGTOG-UHFFFAOYSA-N 0 1 217.276 2.085 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(F)cnc2OC)C1 ZINC001231744121 977722947 /nfs/dbraw/zinc/72/29/47/977722947.db2.gz QOMBYIRAICUXKP-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CCN(C)Cc1cccnc1OC(C)C ZINC001231754741 977727159 /nfs/dbraw/zinc/72/71/59/977727159.db2.gz JBGSETUPANPNAE-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN CSc1ccccc1CN1CC(C)(CO)C1 ZINC001231783611 977752553 /nfs/dbraw/zinc/75/25/53/977752553.db2.gz GQHAQTXWCIJWQF-UHFFFAOYSA-N 0 1 237.368 2.223 20 0 BEADMN Cn1cncc1Nc1cnn(-c2ccccc2)c1 ZINC001175792658 977754099 /nfs/dbraw/zinc/75/40/99/977754099.db2.gz NYZBDKSGCUHMLX-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1 ZINC001175846751 977762234 /nfs/dbraw/zinc/76/22/34/977762234.db2.gz PREPJYCSDPTNHN-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cnc1F ZINC001231925165 977795631 /nfs/dbraw/zinc/79/56/31/977795631.db2.gz MFFWSTHOOJIKNH-SDDRHHMPSA-N 0 1 238.281 2.319 20 0 BEADMN COc1cnc(CN2[C@@H](C)CCC[C@@H]2C)cn1 ZINC001231934580 977803715 /nfs/dbraw/zinc/80/37/15/977803715.db2.gz UDKCRWVPPSTXAV-QWRGUYRKSA-N 0 1 235.331 2.248 20 0 BEADMN COc1cnc(CN2CCC23CCCCC3)cn1 ZINC001231938969 977808257 /nfs/dbraw/zinc/80/82/57/977808257.db2.gz JWYHNWQOZAEEFL-UHFFFAOYSA-N 0 1 247.342 2.394 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)cn1 ZINC001231938197 977808755 /nfs/dbraw/zinc/80/87/55/977808755.db2.gz AODATGYJSIFKPM-NEPJUHHUSA-N 0 1 249.358 2.353 20 0 BEADMN C[C@@H]1CCC[C@H](CNc2nccnc2CN)[C@@H]1C ZINC001336611181 977809042 /nfs/dbraw/zinc/80/90/42/977809042.db2.gz DCAWRZGYHLPRKG-IJLUTSLNSA-N 0 1 248.374 2.420 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC001594839638 977847659 /nfs/dbraw/zinc/84/76/59/977847659.db2.gz QZOITKCKDIPFTD-CYBMUJFWSA-N 0 1 247.294 2.232 20 0 BEADMN Cc1c[nH]c(=O)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001175998847 977853593 /nfs/dbraw/zinc/85/35/93/977853593.db2.gz JFKFTLRTHLEUGB-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1c[nH]c(=O)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001175998847 977853595 /nfs/dbraw/zinc/85/35/95/977853595.db2.gz JFKFTLRTHLEUGB-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Fc1cc(Nc2ccc3nn[nH]c3c2)ccn1 ZINC001175998542 977855820 /nfs/dbraw/zinc/85/58/20/977855820.db2.gz DJTRIYCMEIOVSM-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1cc(Nc2ccc3n[nH]nc3c2)ccn1 ZINC001175998542 977855823 /nfs/dbraw/zinc/85/58/23/977855823.db2.gz DJTRIYCMEIOVSM-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Cc1cnc(Nc2ccc3nn[nH]c3c2)c(C)n1 ZINC001175999249 977856096 /nfs/dbraw/zinc/85/60/96/977856096.db2.gz PEWFJOJAKXWWER-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1cnc(Nc2ccc3n[nH]nc3c2)c(C)n1 ZINC001175999249 977856100 /nfs/dbraw/zinc/85/61/00/977856100.db2.gz PEWFJOJAKXWWER-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN CCn1cc(Nc2ccc3nn[nH]c3c2)c(C)n1 ZINC001175998559 977856462 /nfs/dbraw/zinc/85/64/62/977856462.db2.gz FMRGEHRGGPDBMH-UHFFFAOYSA-N 0 1 242.286 2.226 20 0 BEADMN CCn1cc(Nc2ccc3n[nH]nc3c2)c(C)n1 ZINC001175998559 977856469 /nfs/dbraw/zinc/85/64/69/977856469.db2.gz FMRGEHRGGPDBMH-UHFFFAOYSA-N 0 1 242.286 2.226 20 0 BEADMN CC(C)c1nnc(Nc2ccc3nn[nH]c3c2)o1 ZINC001175997049 977857162 /nfs/dbraw/zinc/85/71/62/977857162.db2.gz YNHYDRBNQVILOA-UHFFFAOYSA-N 0 1 244.258 2.208 20 0 BEADMN CC(C)c1nnc(Nc2ccc3n[nH]nc3c2)o1 ZINC001175997049 977857164 /nfs/dbraw/zinc/85/71/64/977857164.db2.gz YNHYDRBNQVILOA-UHFFFAOYSA-N 0 1 244.258 2.208 20 0 BEADMN Cc1noc(C)c1Nc1ccc2nn[nH]c2c1 ZINC001175999495 977858440 /nfs/dbraw/zinc/85/84/40/977858440.db2.gz XGKPOUDYZKSRNH-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Cc1noc(C)c1Nc1ccc2n[nH]nc2c1 ZINC001175999495 977858447 /nfs/dbraw/zinc/85/84/47/977858447.db2.gz XGKPOUDYZKSRNH-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN OCc1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176005139 977861319 /nfs/dbraw/zinc/86/13/19/977861319.db2.gz BNHQTHBJNGVJRM-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176005139 977861322 /nfs/dbraw/zinc/86/13/22/977861322.db2.gz BNHQTHBJNGVJRM-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN CC(=O)N1CCC(=Nc2cn(C(C)C)cn2)CC1 ZINC001176030042 977863666 /nfs/dbraw/zinc/86/36/66/977863666.db2.gz YCQAZJTWOUAWNB-UHFFFAOYSA-N 0 1 248.330 2.012 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC001594873373 977864804 /nfs/dbraw/zinc/86/48/04/977864804.db2.gz NJDQKPPKZSPCKT-NXEZZACHSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001594875994 977866753 /nfs/dbraw/zinc/86/67/53/977866753.db2.gz ZGMPIJIWRXHBRT-NHCYSSNCSA-N 0 1 231.311 2.310 20 0 BEADMN CCC[N@H+](Cc1cncc(O)c1)CC1CC1 ZINC001232040392 977867768 /nfs/dbraw/zinc/86/77/68/977867768.db2.gz VWBAALYYLJAPCA-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001336703313 977869019 /nfs/dbraw/zinc/86/90/19/977869019.db2.gz JPNCHVSOUWMXNB-IJLUTSLNSA-N 0 1 247.342 2.304 20 0 BEADMN C[C@H]1COCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232061882 977873676 /nfs/dbraw/zinc/87/36/76/977873676.db2.gz QHPQIHKMBNETLE-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN c1c[nH]c(Nc2csc3nccnc23)n1 ZINC001176080872 977875377 /nfs/dbraw/zinc/87/53/77/977875377.db2.gz ZFGFVJGMAJLRMT-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN C[C@H]1CCN1Cc1cc2ncccc2[nH]1 ZINC001232062155 977875957 /nfs/dbraw/zinc/87/59/57/977875957.db2.gz WHLRMOUJZVMSJQ-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN COC(=O)c1sccc1Nc1ncc[nH]1 ZINC001176080487 977876205 /nfs/dbraw/zinc/87/62/05/977876205.db2.gz WMICEMPMPYDBBB-UHFFFAOYSA-N 0 1 223.257 2.001 20 0 BEADMN FC1CCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232062855 977877580 /nfs/dbraw/zinc/87/75/80/977877580.db2.gz DUARDSMFJYTKOA-UHFFFAOYSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@H]1CN(Cc2cc3ncccc3[nH]2)CCCO1 ZINC001232063059 977878457 /nfs/dbraw/zinc/87/84/57/977878457.db2.gz HPEMQPPRKBYQME-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN c1c[nH]c(Nc2cnc(OCC3CCC3)nc2)n1 ZINC001176082420 977879089 /nfs/dbraw/zinc/87/90/89/977879089.db2.gz JSDDVZNOJHZQAB-UHFFFAOYSA-N 0 1 245.286 2.122 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cc3ncccc3[nH]2)C1 ZINC001232068669 977880591 /nfs/dbraw/zinc/88/05/91/977880591.db2.gz SHZKFBQEYIGKCS-JTQLQIEISA-N 0 1 245.326 2.030 20 0 BEADMN COc1ccc2c(c1Nc1ncc[nH]1)C(=O)CC2 ZINC001176085576 977887144 /nfs/dbraw/zinc/88/71/44/977887144.db2.gz SPIWWUDFRQCBIW-UHFFFAOYSA-N 0 1 243.266 2.291 20 0 BEADMN c1c[nH]c(Nc2cccc3nnsc32)n1 ZINC001176085371 977888171 /nfs/dbraw/zinc/88/81/71/977888171.db2.gz GKBMDKHVUWCPBH-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Nc1nccc(NCC[C@@H]2CCC(F)(F)C2)n1 ZINC001336739092 977898160 /nfs/dbraw/zinc/89/81/60/977898160.db2.gz CCKPZIFSTNWTBK-QMMMGPOBSA-N 0 1 242.273 2.296 20 0 BEADMN CCN1CCN(Cc2ccns2)C(C)(C)C1 ZINC001232195027 977917035 /nfs/dbraw/zinc/91/70/35/977917035.db2.gz MYJPYTJRXCRKMX-UHFFFAOYSA-N 0 1 239.388 2.059 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001595048398 977924947 /nfs/dbraw/zinc/92/49/47/977924947.db2.gz OTNTYBGXRCSEMU-LBPRGKRZSA-N 0 1 248.326 2.126 20 0 BEADMN Cc1scnc1CN1C[C@H]2CC[C@@H]1C2 ZINC001232206215 977929374 /nfs/dbraw/zinc/92/93/74/977929374.db2.gz GADIENJZZWPXGE-VHSXEESVSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1scnc1CN1CCC[C@H](C)[C@H]1CO ZINC001232204600 977931307 /nfs/dbraw/zinc/93/13/07/977931307.db2.gz SCTXLUODIVFYRT-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN O=C([O-])C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001595071773 977940009 /nfs/dbraw/zinc/94/00/09/977940009.db2.gz JHUAODSEJXIGMM-AWEZNQCLSA-N 0 1 243.306 2.464 20 0 BEADMN COc1cc(-n2cnc(C)c2N)c(F)cc1F ZINC001176108040 977940512 /nfs/dbraw/zinc/94/05/12/977940512.db2.gz ZWAGREGDADVIGI-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN O=C([O-])C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001595072593 977945371 /nfs/dbraw/zinc/94/53/71/977945371.db2.gz ZKGVTTULMLAIOB-GFCCVEGCSA-N 0 1 235.283 2.281 20 0 BEADMN c1nscc1CN1CCC2(CCOC2)CC1 ZINC001232223103 977948728 /nfs/dbraw/zinc/94/87/28/977948728.db2.gz CRHGBSYCWMXAMH-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN COCCC1CCN(Cc2cnsc2)CC1 ZINC001232226899 977956281 /nfs/dbraw/zinc/95/62/81/977956281.db2.gz FEDPUWWYDQULLQ-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN FC1(F)C[C@@H]2CN(Cc3cnsc3)C[C@@H]21 ZINC001232226444 977956696 /nfs/dbraw/zinc/95/66/96/977956696.db2.gz SAHXPPOCCUYWRW-BDAKNGLRSA-N 0 1 230.283 2.230 20 0 BEADMN COc1ccc(Nc2ccnc(CO)c2)cc1O ZINC001176253593 978014596 /nfs/dbraw/zinc/01/45/96/978014596.db2.gz WLMTYPOVSUJKIE-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN Cc1nc(N)ccc1CN1CCCC[C@H](F)C1 ZINC001232340257 978020088 /nfs/dbraw/zinc/02/00/88/978020088.db2.gz MYQUYOWMYMUSPY-LBPRGKRZSA-N 0 1 237.322 2.296 20 0 BEADMN COc1cc(C)c(CN2CCC(F)CC2)cn1 ZINC001232348406 978023560 /nfs/dbraw/zinc/02/35/60/978023560.db2.gz IGJPXRIZBBHHLJ-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN COCCN(C)Cc1cnc(SC)cc1C ZINC001232345620 978028745 /nfs/dbraw/zinc/02/87/45/978028745.db2.gz JYMOPDYEJXGHDB-UHFFFAOYSA-N 0 1 240.372 2.190 20 0 BEADMN C[C@]1(F)CCCCN(Cc2ccc(N)nc2)C1 ZINC001232364459 978036729 /nfs/dbraw/zinc/03/67/29/978036729.db2.gz QTAZANMFRBWJQO-ZDUSSCGKSA-N 0 1 237.322 2.378 20 0 BEADMN Nc1cncn1-c1ccc2cc(O)ccc2c1 ZINC001176387684 978042122 /nfs/dbraw/zinc/04/21/22/978042122.db2.gz IFHPUEZNQVWMST-UHFFFAOYSA-N 0 1 225.251 2.313 20 0 BEADMN CN(Cc1cn2cc(F)ccc2n1)C1CC1 ZINC001232409225 978049864 /nfs/dbraw/zinc/04/98/64/978049864.db2.gz GUJITUWLBIGAPO-UHFFFAOYSA-N 0 1 219.263 2.068 20 0 BEADMN CCCN(C)Cc1cn2cc(F)ccc2n1 ZINC001232409477 978053182 /nfs/dbraw/zinc/05/31/82/978053182.db2.gz KFURUUNUKCNVKH-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN FC1(F)CCN(Cc2n[nH]c3c2CCC3)CC1 ZINC001232424153 978057488 /nfs/dbraw/zinc/05/74/88/978057488.db2.gz CCWQSNKSNDVMRO-UHFFFAOYSA-N 0 1 241.285 2.130 20 0 BEADMN C[C@@]1(F)CCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001232424659 978058869 /nfs/dbraw/zinc/05/88/69/978058869.db2.gz KPPMSAAESVRYAS-CYBMUJFWSA-N 0 1 237.322 2.222 20 0 BEADMN c1cc2c(o1)CCN(Cc1n[nH]c3c1CCC3)C2 ZINC001232430775 978072263 /nfs/dbraw/zinc/07/22/63/978072263.db2.gz DSNHSHSXQBGHGJ-UHFFFAOYSA-N 0 1 243.310 2.050 20 0 BEADMN Cc1ncc(CN(C)Cc2ccc(F)cc2)[nH]1 ZINC001232457863 978085864 /nfs/dbraw/zinc/08/58/64/978085864.db2.gz AIOYHEKKSCEXSJ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN CCN(Cc1cnc(C)[nH]1)Cc1ccncc1 ZINC001232458009 978090746 /nfs/dbraw/zinc/09/07/46/978090746.db2.gz AZLFSCFSRMPVKT-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN Cc1ncc(CN(C)Cc2cccnc2C)[nH]1 ZINC001232464828 978112041 /nfs/dbraw/zinc/11/20/41/978112041.db2.gz DXEJTRQDFCBYOZ-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cc(F)ccn3)C[C@H]12 ZINC001232497931 978150945 /nfs/dbraw/zinc/15/09/45/978150945.db2.gz NPVQEXDWIIVIPJ-GWCFXTLKSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1cc(CCC(=O)NCc2ccsc2)n[nH]1 ZINC001595928056 978154051 /nfs/dbraw/zinc/15/40/51/978154051.db2.gz ZDEQQBOGWUFMHG-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN FCc1cccc(CN2CCC(F)CC2)n1 ZINC001232535987 978166089 /nfs/dbraw/zinc/16/60/89/978166089.db2.gz SJCRELZCNIPQEO-UHFFFAOYSA-N 0 1 226.270 2.485 20 0 BEADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)CC(C)(C)C1 ZINC001176836862 978207757 /nfs/dbraw/zinc/20/77/57/978207757.db2.gz RBWQWVOBGSFCIJ-GHMZBOCLSA-N 0 1 249.358 2.283 20 0 BEADMN NCc1nccnc1NC[C@@H]1CCC[C@H]1C1CC1 ZINC001337192590 978209514 /nfs/dbraw/zinc/20/95/14/978209514.db2.gz OYVQAQAELGCXGL-RYUDHWBXSA-N 0 1 246.358 2.174 20 0 BEADMN CC1CN(Cc2cncc3cnccc32)C1 ZINC001232650042 978212126 /nfs/dbraw/zinc/21/21/26/978212126.db2.gz QEOOESISTKZBIT-UHFFFAOYSA-N 0 1 213.284 2.082 20 0 BEADMN CCN(OC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001596724709 978248626 /nfs/dbraw/zinc/24/86/26/978248626.db2.gz VJUFXRRVDWOFKV-UHFFFAOYSA-N 0 1 245.282 2.100 20 0 BEADMN Cc1cn[nH]c1CN1CC(F)(F)CC[C@@H]1C ZINC001176898419 978256330 /nfs/dbraw/zinc/25/63/30/978256330.db2.gz SIAALNBRFANAKJ-VIFPVBQESA-N 0 1 229.274 2.338 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(Cl)c2C)C1 ZINC001232752213 978261510 /nfs/dbraw/zinc/26/15/10/978261510.db2.gz SUYXQTBXDVUMHL-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCC=CO1 ZINC001597797704 978371485 /nfs/dbraw/zinc/37/14/85/978371485.db2.gz ZZNKLMHYHKQTPF-LBPRGKRZSA-N 0 1 243.266 2.194 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC000149288172 978412506 /nfs/dbraw/zinc/41/25/06/978412506.db2.gz MBEAXQPXXWESDH-TVQRCGJNSA-N 0 1 249.285 2.220 20 0 BEADMN CN(C)c1ccc(CN2C3CCC2CC3)c(F)n1 ZINC001233118015 978468874 /nfs/dbraw/zinc/46/88/74/978468874.db2.gz UGLNKYYWQTXMNO-UHFFFAOYSA-N 0 1 249.333 2.414 20 0 BEADMN CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2C3)c(F)n1 ZINC001233117834 978469593 /nfs/dbraw/zinc/46/95/93/978469593.db2.gz AZKJDTMVPMFTJP-CMPLNLGQSA-N 0 1 249.333 2.271 20 0 BEADMN C[C@H]1CCN(Cc2ccc(N(C)C)nc2F)C1 ZINC001233114376 978469723 /nfs/dbraw/zinc/46/97/23/978469723.db2.gz IRQJLCRVLSWXSO-JTQLQIEISA-N 0 1 237.322 2.129 20 0 BEADMN CN(C)c1ccc(CN2CCC3(CC3)C2)c(F)n1 ZINC001233116106 978470425 /nfs/dbraw/zinc/47/04/25/978470425.db2.gz IQSWRBBKJMKGKU-UHFFFAOYSA-N 0 1 249.333 2.273 20 0 BEADMN CC[N@H+]1CCN(Cc2cnc(C)c(C)c2)[C@H](C)C1 ZINC001233165125 978485682 /nfs/dbraw/zinc/48/56/82/978485682.db2.gz SYMXSUBCYZFZHC-CYBMUJFWSA-N 0 1 247.386 2.224 20 0 BEADMN CC(=O)[C@@H]1CCCCN1Cc1cc(C)c[nH]c1=O ZINC001233193578 978495188 /nfs/dbraw/zinc/49/51/88/978495188.db2.gz FDGCWXRIIBMGNQ-ZDUSSCGKSA-N 0 1 248.326 2.039 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1nccnc1CN ZINC001337788602 978496018 /nfs/dbraw/zinc/49/60/18/978496018.db2.gz SNJVZKRSANCTND-ZJUUUORDSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001233230169 978498232 /nfs/dbraw/zinc/49/82/32/978498232.db2.gz ZSQNFTDERMUNIH-HIFRSBDPSA-N 0 1 247.338 2.311 20 0 BEADMN Nc1nccc(NCC23CCC(CC2)C3)n1 ZINC001337817972 978513055 /nfs/dbraw/zinc/51/30/55/978513055.db2.gz CPRNOABRZUIMQJ-UHFFFAOYSA-N 0 1 218.304 2.051 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)C[C@@H]1O ZINC001233259645 978514688 /nfs/dbraw/zinc/51/46/88/978514688.db2.gz ZOKBSEMVQMFVGP-MFKMUULPSA-N 0 1 237.368 2.178 20 0 BEADMN CC[N@@H+](CCOC)Cc1ccc([S-])cc1 ZINC001233258490 978515333 /nfs/dbraw/zinc/51/53/33/978515333.db2.gz HBXPNSSZMWFGTR-UHFFFAOYSA-N 0 1 225.357 2.444 20 0 BEADMN OC[C@H]1CCCC[N@H+]1Cc1ccc([S-])cc1 ZINC001233258765 978517049 /nfs/dbraw/zinc/51/70/49/978517049.db2.gz SFBPSLVXQLIDTO-GFCCVEGCSA-N 0 1 237.368 2.322 20 0 BEADMN [S-]c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC001233259122 978518612 /nfs/dbraw/zinc/51/86/12/978518612.db2.gz HGSWGPVUDXFTEW-OLZOCXBDSA-N 0 1 249.379 2.444 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233263177 978520354 /nfs/dbraw/zinc/52/03/54/978520354.db2.gz JRNHZDWJUYKHKQ-LLVKDONJSA-N 0 1 223.341 2.196 20 0 BEADMN [S-]c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC001233262019 978520592 /nfs/dbraw/zinc/52/05/92/978520592.db2.gz NSRALNOWWQXIBW-UHFFFAOYSA-N 0 1 248.395 2.255 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCN3CCC2CC3)cc1 ZINC001233262019 978520597 /nfs/dbraw/zinc/52/05/97/978520597.db2.gz NSRALNOWWQXIBW-UHFFFAOYSA-N 0 1 248.395 2.255 20 0 BEADMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc([S-])cc3)C[C@H]12 ZINC001233261767 978521530 /nfs/dbraw/zinc/52/15/30/978521530.db2.gz CNQVUIRYUSTZAA-LERXQTSPSA-N 0 1 249.379 2.442 20 0 BEADMN [S-]c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC001233262546 978522341 /nfs/dbraw/zinc/52/23/41/978522341.db2.gz LBFUGDHGBNWLTO-ZDUSSCGKSA-N 0 1 235.352 2.340 20 0 BEADMN Cc1cc(CN2CC[C@H](OC(C)C)C2)sn1 ZINC001233312665 978539888 /nfs/dbraw/zinc/53/98/88/978539888.db2.gz DLJMZSOJXUMZPL-NSHDSACASA-N 0 1 240.372 2.451 20 0 BEADMN Cn1cc(Cl)c(CNCC2(C3CC3)CC2)n1 ZINC001178267192 978541539 /nfs/dbraw/zinc/54/15/39/978541539.db2.gz BWIFHSCALJQFNG-UHFFFAOYSA-N 0 1 239.750 2.353 20 0 BEADMN O[C@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC001233314061 978542047 /nfs/dbraw/zinc/54/20/47/978542047.db2.gz FRUKFAPQWHAXDN-VIFPVBQESA-N 0 1 229.707 2.280 20 0 BEADMN CC1(C)CCC[C@H]1CNc1nccnc1CN ZINC001337894214 978554683 /nfs/dbraw/zinc/55/46/83/978554683.db2.gz IQVJXFLTCRQHBG-JTQLQIEISA-N 0 1 234.347 2.174 20 0 BEADMN Cc1ncc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)o1 ZINC001233365342 978570585 /nfs/dbraw/zinc/57/05/85/978570585.db2.gz LTCYPMHUCRAKQH-AOOOYVTPSA-N 0 1 242.269 2.460 20 0 BEADMN C/C=C(C)/C=C/C(=O)NC1CN(C(C)(C)C)C1 ZINC001178514982 978581675 /nfs/dbraw/zinc/58/16/75/978581675.db2.gz ZDPMYFRABMFTQU-AHMRAIAHSA-N 0 1 236.359 2.108 20 0 BEADMN COCC1CN(Cc2ccc(N)cc2Cl)C1 ZINC001233373726 978586542 /nfs/dbraw/zinc/58/65/42/978586542.db2.gz ZJGCQXCIUNUSBU-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN Nc1cccc(CN2CC3(C2)CCCCC3)n1 ZINC001233372502 978588403 /nfs/dbraw/zinc/58/84/03/978588403.db2.gz RAERADGUFHCWMA-UHFFFAOYSA-N 0 1 231.343 2.430 20 0 BEADMN C[C@@]1(CCNc2ccnc(N)n2)C[C@]1(F)Cl ZINC001338029677 978593686 /nfs/dbraw/zinc/59/36/86/978593686.db2.gz WEGBBYCDZPDLBX-NXEZZACHSA-N 0 1 244.701 2.175 20 0 BEADMN Nc1cc(F)c(F)cc1CN1CCCC1 ZINC001233378609 978594325 /nfs/dbraw/zinc/59/43/25/978594325.db2.gz YYFRFMQWQJQOJU-UHFFFAOYSA-N 0 1 212.243 2.143 20 0 BEADMN CC[C@H]1CCC[C@@H](Nc2n[nH]c(N(C)C)n2)C1 ZINC001178677904 978604319 /nfs/dbraw/zinc/60/43/19/978604319.db2.gz OODKCOZQXXHOTI-VHSXEESVSA-N 0 1 237.351 2.251 20 0 BEADMN O=c1cc(Cl)c(O[C@H]2CCCC[C@@H]2F)n[nH]1 ZINC001233588472 978637645 /nfs/dbraw/zinc/63/76/45/978637645.db2.gz DDVWXRDSSXEDII-YUMQZZPRSA-N 0 1 246.669 2.495 20 0 BEADMN CC=C(CC)C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001178922486 978647380 /nfs/dbraw/zinc/64/73/80/978647380.db2.gz NBHPIZQVMYZARS-XCVCLJGOSA-N 0 1 247.342 2.261 20 0 BEADMN Cc1cc(CN2CC[C@](F)(CO)C2)sc1C ZINC001233654327 978660532 /nfs/dbraw/zinc/66/05/32/978660532.db2.gz BUCMLVNFWPELQU-GFCCVEGCSA-N 0 1 243.347 2.271 20 0 BEADMN COc1cccc(Cl)c1O[C@@H]1CCN(C)C1 ZINC001233673555 978668871 /nfs/dbraw/zinc/66/88/71/978668871.db2.gz GBIJKNVVZLXVHK-SECBINFHSA-N 0 1 241.718 2.432 20 0 BEADMN COc1cccc(Cl)c1O[C@H]1CCN(C)C1 ZINC001233673557 978670789 /nfs/dbraw/zinc/67/07/89/978670789.db2.gz GBIJKNVVZLXVHK-VIFPVBQESA-N 0 1 241.718 2.432 20 0 BEADMN CCC(=O)Cc1cc(O)c(F)c(F)c1F ZINC001249923051 978678601 /nfs/dbraw/zinc/67/86/01/978678601.db2.gz ZRDBPCCNUMSWKO-UHFFFAOYSA-N 0 1 218.174 2.331 20 0 BEADMN CSC[C@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001179304625 978689630 /nfs/dbraw/zinc/68/96/30/978689630.db2.gz UNLAHRRACLJRQO-VIFPVBQESA-N 0 1 249.339 2.272 20 0 BEADMN Cc1ccc[nH+]c1NCc1cc(C(=O)[O-])n(C)c1 ZINC001600592232 978703533 /nfs/dbraw/zinc/70/35/33/978703533.db2.gz ANNMBILGACJQPE-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN Cc1ccnc([C@H](C)NCC2(O)CCCCC2)n1 ZINC001338551258 978704358 /nfs/dbraw/zinc/70/43/58/978704358.db2.gz ONZOVYMMERBWMR-LBPRGKRZSA-N 0 1 249.358 2.131 20 0 BEADMN Cc1oc(C(C)(C)C)cc1C[N@H+](C)CC(=O)[O-] ZINC001600834744 978738579 /nfs/dbraw/zinc/73/85/79/978738579.db2.gz GAKSACNOOPYKNP-UHFFFAOYSA-N 0 1 239.315 2.402 20 0 BEADMN Cc1oc(C(C)(C)C)cc1C[N@@H+](C)CC(=O)[O-] ZINC001600834744 978738584 /nfs/dbraw/zinc/73/85/84/978738584.db2.gz GAKSACNOOPYKNP-UHFFFAOYSA-N 0 1 239.315 2.402 20 0 BEADMN Cc1oc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1C(=O)[O-] ZINC001600844973 978740680 /nfs/dbraw/zinc/74/06/80/978740680.db2.gz BYXCVMQJUFPHHT-OCAPTIKFSA-N 0 1 223.272 2.269 20 0 BEADMN CN1CCC[C@H](Oc2cc(F)c(F)cc2O)C1 ZINC001233975390 978745744 /nfs/dbraw/zinc/74/57/44/978745744.db2.gz VSAIPHATQPMDTD-QMMMGPOBSA-N 0 1 243.253 2.143 20 0 BEADMN CCCC[C@H](C)C(=O)N(C)C[C@H]1CCN1CC ZINC001234039419 978763118 /nfs/dbraw/zinc/76/31/18/978763118.db2.gz LTMUMZBGULNGDE-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)c1ccccc1CNCc1nnc[nH]1 ZINC001179842632 978763480 /nfs/dbraw/zinc/76/34/80/978763480.db2.gz QYOFUXKKCJNSJG-UHFFFAOYSA-N 0 1 230.315 2.218 20 0 BEADMN COc1cc(F)c(F)cc1O[C@H]1CCN(C)C1 ZINC001234231400 978797883 /nfs/dbraw/zinc/79/78/83/978797883.db2.gz JHVGRILFSLOAEK-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN CC[C@@H](C)C[C@@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001339133575 978800627 /nfs/dbraw/zinc/80/06/27/978800627.db2.gz HHFLMOKPTCRTAE-PSASIEDQSA-N 0 1 242.344 2.122 20 0 BEADMN Cn1nccc1CNCc1ccc2c(c1)CCC2 ZINC000070069716 978806502 /nfs/dbraw/zinc/80/65/02/978806502.db2.gz CDYGAINJGPPJBE-UHFFFAOYSA-N 0 1 241.338 2.199 20 0 BEADMN COc1cc(F)c(O[C@@H]2CCN(C)C2)cc1F ZINC001234271065 978807187 /nfs/dbraw/zinc/80/71/87/978807187.db2.gz MKSIZSSIXNIIJJ-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001601637825 978823097 /nfs/dbraw/zinc/82/30/97/978823097.db2.gz FUNCNCPFMKCIHN-CHWSQXEVSA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC001601708536 978832273 /nfs/dbraw/zinc/83/22/73/978832273.db2.gz ALGKOEAGUBPGOO-LBPRGKRZSA-N 0 1 249.285 2.437 20 0 BEADMN CC[C@H]1C(=O)NCCN1CCCCC(C)C ZINC001180213691 978840349 /nfs/dbraw/zinc/84/03/49/978840349.db2.gz XKMQITLGKFZCKC-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCn1ccc(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC001180199524 978843148 /nfs/dbraw/zinc/84/31/48/978843148.db2.gz UREKERMIDBNORY-VXGBXAGGSA-N 0 1 221.348 2.381 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CF)C1 ZINC001601811347 978852286 /nfs/dbraw/zinc/85/22/86/978852286.db2.gz YODOACXSIQTZOG-IJLUTSLNSA-N 0 1 243.322 2.169 20 0 BEADMN Nc1ncccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC001180297418 978862135 /nfs/dbraw/zinc/86/21/35/978862135.db2.gz WXUPKYHNBNUSOM-CYBMUJFWSA-N 0 1 242.326 2.329 20 0 BEADMN CCc1nccc(C)c1NC(=O)CN(CC)CC ZINC001180385284 978869955 /nfs/dbraw/zinc/86/99/55/978869955.db2.gz BIEHWMZAZCVUEL-UHFFFAOYSA-N 0 1 249.358 2.233 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H]3CCCO[C@H]3C2)[nH]1 ZINC001234609750 978871751 /nfs/dbraw/zinc/87/17/51/978871751.db2.gz QEPYJBKYYWSKBL-JSGCOSHPSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1noc(NCc2nc3ccc(C)cc3[nH]2)n1 ZINC001339611470 978879845 /nfs/dbraw/zinc/87/98/45/978879845.db2.gz UCIKVVZCRNFCPT-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC001602009608 978882143 /nfs/dbraw/zinc/88/21/43/978882143.db2.gz KFLVJEKROPUFJD-ZDUSSCGKSA-N 0 1 237.274 2.032 20 0 BEADMN Cc1ccnc(NCC(C)(C)[C@H](C)O)c1 ZINC001339869923 978921306 /nfs/dbraw/zinc/92/13/06/978921306.db2.gz PXHJVJRZOCQVHL-JTQLQIEISA-N 0 1 208.305 2.209 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)c1ccco1 ZINC001180751788 978937023 /nfs/dbraw/zinc/93/70/23/978937023.db2.gz ARDDMYWXZOJEIC-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1)N(C)C ZINC001180865047 978959834 /nfs/dbraw/zinc/95/98/34/978959834.db2.gz RQVNDHJHGRDJNR-SDDRHHMPSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1)N(C)C ZINC001180865046 978961151 /nfs/dbraw/zinc/96/11/51/978961151.db2.gz RQVNDHJHGRDJNR-GRYCIOLGSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](NCCCC(F)F)c1ncco1 ZINC001340131131 978975565 /nfs/dbraw/zinc/97/55/65/978975565.db2.gz GNRNPDSSJXEHNB-ZETCQYMHSA-N 0 1 204.220 2.371 20 0 BEADMN OC[C@@H]1CCC[N@H+]1Cc1cc2cccc(F)c2[nH]1 ZINC001235236150 979002766 /nfs/dbraw/zinc/00/27/66/979002766.db2.gz DJHCRXRNROYRMN-LBPRGKRZSA-N 0 1 248.301 2.264 20 0 BEADMN OC[C@@H]1CCCN1Cc1cc2cccc(F)c2[nH]1 ZINC001235236150 979002772 /nfs/dbraw/zinc/00/27/72/979002772.db2.gz DJHCRXRNROYRMN-LBPRGKRZSA-N 0 1 248.301 2.264 20 0 BEADMN CCc1cccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC001235253538 979008109 /nfs/dbraw/zinc/00/81/09/979008109.db2.gz JTGASEDQNHYMJO-OKILXGFUSA-N 0 1 244.338 2.340 20 0 BEADMN CCc1cccc(CN2CC3(C2)CCCOC3)n1 ZINC001235249313 979008357 /nfs/dbraw/zinc/00/83/57/979008357.db2.gz BAUIDABOEXCMBM-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN CCc1cccc(CN2CCOC[C@H](C)C2)n1 ZINC001235255974 979009326 /nfs/dbraw/zinc/00/93/26/979009326.db2.gz WMAAGORJXZUAED-GFCCVEGCSA-N 0 1 234.343 2.112 20 0 BEADMN CCc1cccc(CN(C)[C@H]2CCCOC2)n1 ZINC001235266048 979014555 /nfs/dbraw/zinc/01/45/55/979014555.db2.gz IGBJEGKKMSFRCA-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1ncn(C)c1CN1CCC(C)(F)CC1 ZINC001235540177 979084223 /nfs/dbraw/zinc/08/42/23/979084223.db2.gz IBNCLALPJAUCFM-UHFFFAOYSA-N 0 1 225.311 2.053 20 0 BEADMN Cc1ncn(C)c1CN1CC2(C1)CCCCC2 ZINC001235550166 979094093 /nfs/dbraw/zinc/09/40/93/979094093.db2.gz UWKPSHAREHJRAO-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC001602482797 979117675 /nfs/dbraw/zinc/11/76/75/979117675.db2.gz KMDJALCFRBJQEY-JMJZKYOTSA-N 0 1 232.283 2.380 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235815624 979158009 /nfs/dbraw/zinc/15/80/09/979158009.db2.gz NAVWUZYNNRZDAV-SDDRHHMPSA-N 0 1 238.281 2.461 20 0 BEADMN Nc1ccc(-c2c(F)cc(F)c(O)c2F)nc1 ZINC001235984017 979264720 /nfs/dbraw/zinc/26/47/20/979264720.db2.gz CKVOFSDYHYMNBN-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C1CC1)[C@H]1C=CCCC1 ZINC001602819829 979268903 /nfs/dbraw/zinc/26/89/03/979268903.db2.gz JHWYUNUFCLACLZ-UWVGGRQHSA-N 0 1 209.289 2.033 20 0 BEADMN Nc1ncccc1-c1c(F)cc(F)c(O)c1F ZINC001235996822 979294529 /nfs/dbraw/zinc/29/45/29/979294529.db2.gz YWQNBUUIWIRDBP-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN CC(C)=CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001602958909 979338104 /nfs/dbraw/zinc/33/81/04/979338104.db2.gz GRYIJNXQKHNIIC-GHMZBOCLSA-N 0 1 211.305 2.280 20 0 BEADMN C/C(=C\CNc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC001602975698 979353037 /nfs/dbraw/zinc/35/30/37/979353037.db2.gz PGLFMIXBQRAYEY-VQHVLOKHSA-N 0 1 245.282 2.016 20 0 BEADMN FCC(CF)N[C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001181972316 979401576 /nfs/dbraw/zinc/40/15/76/979401576.db2.gz RPQPNXKDEJLECJ-LSJOCFKGSA-N 0 1 203.276 2.462 20 0 BEADMN CN1CCN(c2ccc(C3CC3)cc2)CC1 ZINC001250032691 979408642 /nfs/dbraw/zinc/40/86/42/979408642.db2.gz YAGXXRFQRCKNCF-UHFFFAOYSA-N 0 1 216.328 2.316 20 0 BEADMN CCOc1ccc(Cl)cc1CN(C)CCO ZINC001236254136 979470577 /nfs/dbraw/zinc/47/05/77/979470577.db2.gz PLMMMPIDHNGDIN-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)o1 ZINC001604007205 979556042 /nfs/dbraw/zinc/55/60/42/979556042.db2.gz NOSAOVZVICMITG-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN CC[C@H](C)[N@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001604007205 979556074 /nfs/dbraw/zinc/55/60/74/979556074.db2.gz NOSAOVZVICMITG-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001604007205 979556082 /nfs/dbraw/zinc/55/60/82/979556082.db2.gz NOSAOVZVICMITG-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN COc1cncc(-c2cc(N)c(C)cn2)c1C ZINC001236368181 979566649 /nfs/dbraw/zinc/56/66/49/979566649.db2.gz BHNPKIVVSWQMHZ-UHFFFAOYSA-N 0 1 229.283 2.351 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[C@H](C)C2)n1 ZINC001341832217 979570998 /nfs/dbraw/zinc/57/09/98/979570998.db2.gz PLLSRPURCZXRAW-DTWKUNHWSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC001341832217 979571008 /nfs/dbraw/zinc/57/10/08/979571008.db2.gz PLLSRPURCZXRAW-DTWKUNHWSA-N 0 1 236.319 2.303 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CC1CC1 ZINC001604479226 979661318 /nfs/dbraw/zinc/66/13/18/979661318.db2.gz QTLIJZOFNVRFMA-ZETCQYMHSA-N 0 1 240.328 2.244 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CCN1C(C)C ZINC001182869626 979664401 /nfs/dbraw/zinc/66/44/01/979664401.db2.gz MXIKOICYBGAUEE-AGIUHOORSA-N 0 1 240.391 2.410 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](CCCCC(=O)[O-])CC1 ZINC001604486846 979665868 /nfs/dbraw/zinc/66/58/68/979665868.db2.gz CXDDNOFALDBMOQ-ZDUSSCGKSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1nc2c(cncc2-c2cncc(O)c2)[nH]1 ZINC001236584737 979666619 /nfs/dbraw/zinc/66/66/19/979666619.db2.gz BYNMYTTZYOTLFB-UHFFFAOYSA-N 0 1 226.239 2.034 20 0 BEADMN Cc1nc2c[nH]cc(-c3cncc(O)c3)c-2n1 ZINC001236584737 979666623 /nfs/dbraw/zinc/66/66/23/979666623.db2.gz BYNMYTTZYOTLFB-UHFFFAOYSA-N 0 1 226.239 2.034 20 0 BEADMN CCCO[C@@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001236592784 979672750 /nfs/dbraw/zinc/67/27/50/979672750.db2.gz VHCCXKPUPHSDJU-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@@H]1c1ccncc1 ZINC001604545277 979675579 /nfs/dbraw/zinc/67/55/79/979675579.db2.gz XJGJERUSNWTSTB-CYBMUJFWSA-N 0 1 248.326 2.329 20 0 BEADMN CNC(=O)CN(C)Cc1cccc2sccc21 ZINC001236681699 979692684 /nfs/dbraw/zinc/69/26/84/979692684.db2.gz IYPDHJWHVQZRCC-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001604666014 979695250 /nfs/dbraw/zinc/69/52/50/979695250.db2.gz WUPNWFKHTPALOS-OCAPTIKFSA-N 0 1 225.313 2.429 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001604698266 979708573 /nfs/dbraw/zinc/70/85/73/979708573.db2.gz PCVCJXIHPMFGSJ-RGOKHQFPSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001604753468 979719348 /nfs/dbraw/zinc/71/93/48/979719348.db2.gz CSKYVYLHAYGESH-SECBINFHSA-N 0 1 248.326 2.432 20 0 BEADMN CCC(=O)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001604853058 979738307 /nfs/dbraw/zinc/73/83/07/979738307.db2.gz LWKCMNKXLSVWDA-UHFFFAOYSA-N 0 1 249.310 2.186 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC001604923170 979767820 /nfs/dbraw/zinc/76/78/20/979767820.db2.gz HKHITDBTAXAIKM-MNOVXSKESA-N 0 1 245.363 2.233 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1cccc(F)c1O ZINC001342458763 979805611 /nfs/dbraw/zinc/80/56/11/979805611.db2.gz OIVFISXRQNIUPI-GMSGAONNSA-N 0 1 223.247 2.060 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1cccc(F)c1O ZINC001342458765 979806684 /nfs/dbraw/zinc/80/66/84/979806684.db2.gz OIVFISXRQNIUPI-OIBJUYFYSA-N 0 1 223.247 2.060 20 0 BEADMN OCCN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001237058251 979812429 /nfs/dbraw/zinc/81/24/29/979812429.db2.gz YLUYUYJYLMJFCZ-GFCCVEGCSA-N 0 1 227.254 2.094 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001605165795 979825862 /nfs/dbraw/zinc/82/58/62/979825862.db2.gz FTZNSVXLJYGGKO-SNVBAGLBSA-N 0 1 236.315 2.335 20 0 BEADMN COc1ccc(C)cc1CNCc1cc(C)n[nH]1 ZINC000716457874 979828468 /nfs/dbraw/zinc/82/84/68/979828468.db2.gz CMBZUKDWTYHSLU-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001605171138 979828596 /nfs/dbraw/zinc/82/85/96/979828596.db2.gz JPOPVRWXGHJCFC-BRAIEQGRSA-N 0 1 235.283 2.362 20 0 BEADMN Cc1cc(CN[C@H]2CCc3c2cccc3O)[nH]n1 ZINC000716459471 979831867 /nfs/dbraw/zinc/83/18/67/979831867.db2.gz XNSTWMDQTKMXQB-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN Cc1cc(CN[C@H]2CCc3c2cccc3O)n[nH]1 ZINC000716459471 979831869 /nfs/dbraw/zinc/83/18/69/979831869.db2.gz XNSTWMDQTKMXQB-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1occc1[S-] ZINC001237183937 979836765 /nfs/dbraw/zinc/83/67/65/979836765.db2.gz NKRQMSJQPTWATD-LLVKDONJSA-N 0 1 241.356 2.304 20 0 BEADMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1occc1[S-] ZINC001237183937 979836766 /nfs/dbraw/zinc/83/67/66/979836766.db2.gz NKRQMSJQPTWATD-LLVKDONJSA-N 0 1 241.356 2.304 20 0 BEADMN CCC[C@@H](C)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001605207684 979837109 /nfs/dbraw/zinc/83/71/09/979837109.db2.gz ALXXRNDAXSQIHC-UMNHJUIQSA-N 0 1 213.321 2.218 20 0 BEADMN CCCC[N@@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605276705 979847780 /nfs/dbraw/zinc/84/77/80/979847780.db2.gz NJURJJCMVUERFK-LLVKDONJSA-N 0 1 241.331 2.256 20 0 BEADMN CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605303971 979850610 /nfs/dbraw/zinc/85/06/10/979850610.db2.gz AKGXAOUHZGDLEU-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN Nc1cccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001237218841 979851089 /nfs/dbraw/zinc/85/10/89/979851089.db2.gz LKUGLXVUFQVGNB-DRZSPHRISA-N 0 1 220.291 2.059 20 0 BEADMN CCc1[nH]c(C[N@H+]2CCC=C(C)C2)cc1C(=O)[O-] ZINC001605771529 979917288 /nfs/dbraw/zinc/91/72/88/979917288.db2.gz CFCKSFMUBOIQDX-UHFFFAOYSA-N 0 1 248.326 2.427 20 0 BEADMN CCc1[nH+]ccn1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605861947 979919229 /nfs/dbraw/zinc/91/92/29/979919229.db2.gz ISVDYAPGQLICHQ-QWRGUYRKSA-N 0 1 236.315 2.337 20 0 BEADMN CCc1ccc[nH+]c1N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605836913 979919284 /nfs/dbraw/zinc/91/92/84/979919284.db2.gz VUIYYEVNJZUXFM-GHMZBOCLSA-N 0 1 234.299 2.309 20 0 BEADMN CCc1ccc[nH+]c1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001605836915 979920901 /nfs/dbraw/zinc/92/09/01/979920901.db2.gz VUIYYEVNJZUXFM-MNOVXSKESA-N 0 1 234.299 2.309 20 0 BEADMN COCC1CN(Cc2cccc(C)c2OC)C1 ZINC001237502156 979922559 /nfs/dbraw/zinc/92/25/59/979922559.db2.gz ZDCYSFBZGKFBIU-UHFFFAOYSA-N 0 1 235.327 2.082 20 0 BEADMN CCCCC[C@@H](C)N[C@@H](CO)c1ncc[nH]1 ZINC001183991527 979924742 /nfs/dbraw/zinc/92/47/42/979924742.db2.gz KGECBZZZWKIRQJ-MNOVXSKESA-N 0 1 225.336 2.002 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccc(O)cc1 ZINC001342898201 979932140 /nfs/dbraw/zinc/93/21/40/979932140.db2.gz FMOQZFPPEMYZDO-UHFFFAOYSA-N 0 1 245.282 2.320 20 0 BEADMN COc1cc(CN2CCC3(CC3)C2)cc(OC)n1 ZINC001237554338 979939627 /nfs/dbraw/zinc/93/96/27/979939627.db2.gz AVMRRNATLTWZDW-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN COc1cc(CN2CCCCC2)cc(OC)n1 ZINC001237551967 979940226 /nfs/dbraw/zinc/94/02/26/979940226.db2.gz FBPBSJHTAUHPHS-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN CC1(C)CN(Cc2ccn3nccc3c2)C1 ZINC001237551435 979941168 /nfs/dbraw/zinc/94/11/68/979941168.db2.gz YEVSTOQUGYDKMW-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCn1cncc1CN1CCC[C@@H](C(F)F)C1 ZINC001237589315 979946070 /nfs/dbraw/zinc/94/60/70/979946070.db2.gz BTTWFRYWRPSFMY-SNVBAGLBSA-N 0 1 243.301 2.380 20 0 BEADMN COc1ccccc1[C@@H](C)N(C)Cc1nnc[nH]1 ZINC001237602247 979959824 /nfs/dbraw/zinc/95/98/24/979959824.db2.gz QQZKYOPQKQJVQC-SNVBAGLBSA-N 0 1 246.314 2.006 20 0 BEADMN Cc1ccc([C@@H]2CCCN2Cc2nnc[nH]2)cc1 ZINC001237601657 979962552 /nfs/dbraw/zinc/96/25/52/979962552.db2.gz CWQZEOSXPPTFRB-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN c1csc(C2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001237601453 979962806 /nfs/dbraw/zinc/96/28/06/979962806.db2.gz BOOYSGIJZRMRSD-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN COc1ccccc1[C@H](C)N(C)Cc1nnc[nH]1 ZINC001237602246 979963531 /nfs/dbraw/zinc/96/35/31/979963531.db2.gz QQZKYOPQKQJVQC-JTQLQIEISA-N 0 1 246.314 2.006 20 0 BEADMN c1nnc(CN(Cc2ccccc2)C2CCC2)[nH]1 ZINC001237611143 979972591 /nfs/dbraw/zinc/97/25/91/979972591.db2.gz MKRWUISSELIIPD-UHFFFAOYSA-N 0 1 242.326 2.359 20 0 BEADMN CCc1n[nH]cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001237650967 980008485 /nfs/dbraw/zinc/00/84/85/980008485.db2.gz LXSNDPHOHXPEIH-VIFPVBQESA-N 0 1 247.264 2.356 20 0 BEADMN CCc1n[nH]cc1CN1CCC[C@H](C(F)F)C1 ZINC001237651846 980016139 /nfs/dbraw/zinc/01/61/39/980016139.db2.gz ZQTUHJYBUYHYBT-VIFPVBQESA-N 0 1 243.301 2.449 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)C[C@@H]2C)nc1 ZINC001237805095 980055425 /nfs/dbraw/zinc/05/54/25/980055425.db2.gz ADLCMRZCBJMOAE-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cn1nccc1-n1[nH]c(C2CCCCC2)cc1=O ZINC001343347203 980074786 /nfs/dbraw/zinc/07/47/86/980074786.db2.gz LNHWGWZVJUOJRY-UHFFFAOYSA-N 0 1 246.314 2.093 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(CC)s2)C1 ZINC001237830225 980075565 /nfs/dbraw/zinc/07/55/65/980075565.db2.gz GJVIQQBCOIWTJB-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CCc1ncc(CN2CC[C@H](C(C)=O)C2)s1 ZINC001237831525 980079163 /nfs/dbraw/zinc/07/91/63/980079163.db2.gz XCUBUPIVJZQMFW-JTQLQIEISA-N 0 1 238.356 2.116 20 0 BEADMN COc1ccoc1CN1CC[C@](C)(CF)C1 ZINC001237869288 980104242 /nfs/dbraw/zinc/10/42/42/980104242.db2.gz PBIDSYIONCUXOW-GFCCVEGCSA-N 0 1 227.279 2.470 20 0 BEADMN COc1ccoc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237870603 980105988 /nfs/dbraw/zinc/10/59/88/980105988.db2.gz YLSDWBPRAVOFCP-BDAKNGLRSA-N 0 1 243.253 2.375 20 0 BEADMN Cc1coc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC001607921459 980140846 /nfs/dbraw/zinc/14/08/46/980140846.db2.gz AGDJJLGZYFBJOT-SKDRFNHKSA-N 0 1 237.299 2.273 20 0 BEADMN FC1(C2CC2)CN(Cc2cccc3cncn32)C1 ZINC001238102782 980150575 /nfs/dbraw/zinc/15/05/75/980150575.db2.gz IJEOCCQFMLXWPN-UHFFFAOYSA-N 0 1 245.301 2.268 20 0 BEADMN Cn1cc(C[N@H+]2CCC23CCCC3)cc1C(=O)[O-] ZINC001608112680 980161012 /nfs/dbraw/zinc/16/10/12/980161012.db2.gz ORNIQEIPAKZCCW-UHFFFAOYSA-N 0 1 248.326 2.242 20 0 BEADMN Cc1ccc(O)cc1CN1CC[C@@]12CCOC2 ZINC001238111180 980163074 /nfs/dbraw/zinc/16/30/74/980163074.db2.gz UQSPEQDYBCYXOR-AWEZNQCLSA-N 0 1 233.311 2.065 20 0 BEADMN COc1cnc(F)c(CN(C)CC2CCC2)c1 ZINC001238121303 980169677 /nfs/dbraw/zinc/16/96/77/980169677.db2.gz ZRWOMIVGERHFRS-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CC1(C)CCC1 ZINC001185095608 980169798 /nfs/dbraw/zinc/16/97/98/980169798.db2.gz ZYMOVIOMPIYKNZ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CCCN(Cc2c(N)ccnc2F)C1 ZINC001238160996 980188824 /nfs/dbraw/zinc/18/88/24/980188824.db2.gz YMUXEQRPJAHMGS-JTQLQIEISA-N 0 1 237.322 2.425 20 0 BEADMN C[C@@H]1CN(Cc2cncc(C3CC3)c2)CC[C@H]1O ZINC001238182206 980213033 /nfs/dbraw/zinc/21/30/33/980213033.db2.gz PRQJNOKRKGXOGL-IAQYHMDHSA-N 0 1 246.354 2.162 20 0 BEADMN C[C@@H]1COCCN(Cc2cncc(C3CC3)c2)C1 ZINC001238181665 980213832 /nfs/dbraw/zinc/21/38/32/980213832.db2.gz LJMKZDHGAGXUDJ-LBPRGKRZSA-N 0 1 246.354 2.427 20 0 BEADMN COCC1CN(Cc2cncc(C3CC3)c2)C1 ZINC001238185263 980213950 /nfs/dbraw/zinc/21/39/50/980213950.db2.gz COWQBMZFQSVPCT-UHFFFAOYSA-N 0 1 232.327 2.037 20 0 BEADMN C[C@@H]1C[C@H](O)CCN1Cc1cncc(C2CC2)c1 ZINC001238186913 980217385 /nfs/dbraw/zinc/21/73/85/980217385.db2.gz GRFXWQFXIZJGNQ-IAQYHMDHSA-N 0 1 246.354 2.304 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)C2)c(F)c1O ZINC001238358972 980240036 /nfs/dbraw/zinc/24/00/36/980240036.db2.gz UDSJOPJBKVGBDL-SECBINFHSA-N 0 1 239.290 2.382 20 0 BEADMN O=C([O-])C1=CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC001608591706 980241849 /nfs/dbraw/zinc/24/18/49/980241849.db2.gz SFSNLXSNUWASRS-VIFPVBQESA-N 0 1 243.266 2.148 20 0 BEADMN COc1ccc(CN2CC[C@H](C)C2)c(F)c1O ZINC001238358973 980243033 /nfs/dbraw/zinc/24/30/33/980243033.db2.gz UDSJOPJBKVGBDL-VIFPVBQESA-N 0 1 239.290 2.382 20 0 BEADMN O=C([O-])C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001608748370 980277782 /nfs/dbraw/zinc/27/77/82/980277782.db2.gz QQBZYENWNZQOCU-DZGCQCFKSA-N 0 1 245.322 2.472 20 0 BEADMN Cn1ccnc1[C@H](NC/C=C/C1CC1)C1CC1 ZINC001343925392 980279569 /nfs/dbraw/zinc/27/95/69/980279569.db2.gz DOPBWWHZZXJLAS-YWVDXFKGSA-N 0 1 231.343 2.427 20 0 BEADMN Cc1c(C(=O)NCC[C@@H](C)F)ccc2cncn21 ZINC001344012632 980314367 /nfs/dbraw/zinc/31/43/67/980314367.db2.gz ONBNMJZDHINZDB-SECBINFHSA-N 0 1 249.289 2.121 20 0 BEADMN CCOc1cc(CN2CC[C@H](C)C2)c(F)cn1 ZINC001238724703 980314512 /nfs/dbraw/zinc/31/45/12/980314512.db2.gz LTGUNLGENOVKCP-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1cscn1 ZINC001344054520 980327291 /nfs/dbraw/zinc/32/72/91/980327291.db2.gz XHWBZLRYTWRXRL-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691659353 980376595 /nfs/dbraw/zinc/37/65/95/980376595.db2.gz GKVXFZDKVMFFIW-FIYWTHMPSA-N 0 1 237.343 2.219 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)(F)F)[C@H]2C)n[nH]1 ZINC001344382011 980382352 /nfs/dbraw/zinc/38/23/52/980382352.db2.gz SHENJFOXBGTMIX-SCZZXKLOSA-N 0 1 247.264 2.491 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C1CC1)C(F)(F)F ZINC001344407566 980389716 /nfs/dbraw/zinc/38/97/16/980389716.db2.gz CLJNVMMWXDPJHW-MRVPVSSYSA-N 0 1 248.204 2.216 20 0 BEADMN COc1cc(SC)c(-c2cc(N)ccn2)cn1 ZINC001239042077 980420214 /nfs/dbraw/zinc/42/02/14/980420214.db2.gz WHDYJCCHPTUAOV-UHFFFAOYSA-N 0 1 247.323 2.456 20 0 BEADMN CC(C)n1ccc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001239066491 980438168 /nfs/dbraw/zinc/43/81/68/980438168.db2.gz NPTIBIWSAFUUOE-UHFFFAOYSA-N 0 1 245.261 2.493 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC(C1CC1)C1CC1 ZINC001344603550 980443106 /nfs/dbraw/zinc/44/31/06/980443106.db2.gz FAWAILHKXBLTEP-UHFFFAOYSA-N 0 1 234.299 2.311 20 0 BEADMN CC[C@@H](C)NC(=O)Cc1ccc2nc[nH]c2c1 ZINC000074973496 980445440 /nfs/dbraw/zinc/44/54/40/980445440.db2.gz YLWVRRHAVFKOAB-SECBINFHSA-N 0 1 231.299 2.020 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1ncccc1F ZINC001344886787 980495277 /nfs/dbraw/zinc/49/52/77/980495277.db2.gz VFEQRDOZYHJIEY-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cccc2nc(NC(=O)[C@@H]3CCC=N3)[nH]c21 ZINC001187352826 980518311 /nfs/dbraw/zinc/51/83/11/980518311.db2.gz WNJVFWSENDIBEW-JTQLQIEISA-N 0 1 242.282 2.043 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)[C@@H](C)C2)[nH]1 ZINC000075411865 980527093 /nfs/dbraw/zinc/52/70/93/980527093.db2.gz PSZMSEUDENLTOO-UWVGGRQHSA-N 0 1 235.331 2.261 20 0 BEADMN CN(CN1CC2(CC2)CC1=O)C1CC(C)(C)C1 ZINC001345056223 980536147 /nfs/dbraw/zinc/53/61/47/980536147.db2.gz ONHHABMGHFEVFJ-UHFFFAOYSA-N 0 1 236.359 2.077 20 0 BEADMN O=C(/C=C\c1cccc(F)c1)OCCN1CCC1 ZINC001345079655 980542851 /nfs/dbraw/zinc/54/28/51/980542851.db2.gz NUXBLXUFFDPZSW-WAYWQWQTSA-N 0 1 249.285 2.088 20 0 BEADMN CCCCCOC(=O)N1CCNC[C@H]1CCC ZINC001239336358 980543948 /nfs/dbraw/zinc/54/39/48/980543948.db2.gz FAJKOMUKRYKREX-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN CC(C)N(CC1CC1)C(=O)c1[nH]ncc1Cl ZINC001187837448 980558499 /nfs/dbraw/zinc/55/84/99/980558499.db2.gz MXTXUNPNDCPNBW-UHFFFAOYSA-N 0 1 241.722 2.324 20 0 BEADMN CCc1nccc(C)c1NC(=O)c1cn[nH]c1C ZINC001188052132 980581511 /nfs/dbraw/zinc/58/15/11/980581511.db2.gz ITZMCPOPUIIZSZ-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN NC(=O)CCCCCc1ccc2nc[nH]c2c1 ZINC001250271057 980622246 /nfs/dbraw/zinc/62/22/46/980622246.db2.gz NOEZUKVFIPFHIR-UHFFFAOYSA-N 0 1 231.299 2.151 20 0 BEADMN Cc1c2[nH]cnc2ccc1C1=CCOC1 ZINC001239480476 980624158 /nfs/dbraw/zinc/62/41/58/980624158.db2.gz CBAULHLNJJKMEE-UHFFFAOYSA-N 0 1 200.241 2.285 20 0 BEADMN Cc1nc2ccc(C3=CCOC3)cc2[nH]1 ZINC001239481573 980626107 /nfs/dbraw/zinc/62/61/07/980626107.db2.gz OXHHYMWBPGSFNE-UHFFFAOYSA-N 0 1 200.241 2.285 20 0 BEADMN COc1ccc(-c2nc3nc[nH]c3c(C)n2)cc1 ZINC001239482691 980629135 /nfs/dbraw/zinc/62/91/35/980629135.db2.gz DVYLLLXGZJQPLS-UHFFFAOYSA-N 0 1 240.266 2.289 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C2(CC2)C1 ZINC001188391934 980641610 /nfs/dbraw/zinc/64/16/10/980641610.db2.gz QNGZDLWTVRYSRA-SECBINFHSA-N 0 1 245.326 2.302 20 0 BEADMN COc1cccc(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001239516953 980687731 /nfs/dbraw/zinc/68/77/31/980687731.db2.gz RXCWYMDOAKVYPS-UHFFFAOYSA-N 0 1 240.266 2.289 20 0 BEADMN CCC[C@@H](C)COC(=O)c1[nH]cnc1C ZINC001345888663 980704074 /nfs/dbraw/zinc/70/40/74/980704074.db2.gz XSWHSHKACLWGEC-MRVPVSSYSA-N 0 1 210.277 2.311 20 0 BEADMN Fc1cc(CCn2ccnc2)cc2[nH]ncc21 ZINC001250320566 980762844 /nfs/dbraw/zinc/76/28/44/980762844.db2.gz PCPWTMPYPZKHPR-UHFFFAOYSA-N 0 1 230.246 2.141 20 0 BEADMN Oc1cncc(Nc2ccc3cncn3c2)c1 ZINC001250324403 980765681 /nfs/dbraw/zinc/76/56/81/980765681.db2.gz SKQMOCHUEITGQL-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN C(=C/c1cc2c(nn1)CNC2)\c1ccccc1 ZINC001239592149 980785639 /nfs/dbraw/zinc/78/56/39/980785639.db2.gz IBEKBKXTLQKXNT-VOTSOKGWSA-N 0 1 223.279 2.250 20 0 BEADMN Nc1cccc(Nc2ccc3cncn3c2)c1O ZINC001250336187 980795415 /nfs/dbraw/zinc/79/54/15/980795415.db2.gz YMDPMEWGBGFQOY-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN Cc1cccc(C)c1-c1cnc(CN)nc1 ZINC001239597279 980796027 /nfs/dbraw/zinc/79/60/27/980796027.db2.gz GOFFSWSNJBEGID-UHFFFAOYSA-N 0 1 213.284 2.219 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@]1(C)C[C@@]1(F)Cl ZINC001346268896 980802728 /nfs/dbraw/zinc/80/27/28/980802728.db2.gz GXVUCZHTCHTBGK-UWVGGRQHSA-N 0 1 246.669 2.190 20 0 BEADMN COc1ncc(-c2ccc3nc[nH]c3c2)cc1N ZINC001239636351 980822756 /nfs/dbraw/zinc/82/27/56/980822756.db2.gz CPPNKBYKSOCHMS-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN c1cc(-c2cc(N3CCOCC3)ccn2)co1 ZINC001239686457 980844320 /nfs/dbraw/zinc/84/43/20/980844320.db2.gz UXIFOZXFSMOLNK-UHFFFAOYSA-N 0 1 230.267 2.178 20 0 BEADMN COc1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001239724367 980878029 /nfs/dbraw/zinc/87/80/29/980878029.db2.gz PHRUSNIRTIRNPP-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccc(-c2[nH]ccc3ncnc2-3)cn1 ZINC001239724367 980878030 /nfs/dbraw/zinc/87/80/30/980878030.db2.gz PHRUSNIRTIRNPP-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccc(C)cc1-c1ncnc2c1CNC2 ZINC001239764906 980903735 /nfs/dbraw/zinc/90/37/35/980903735.db2.gz SIMSOXZBHXDXSE-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN NCc1ncc(-c2cnc3ccccc3c2)cn1 ZINC001239793940 980934010 /nfs/dbraw/zinc/93/40/10/980934010.db2.gz SHACKGAMASZANM-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN c1nnc(CN[C@@H](c2ccccc2)C2CCC2)[nH]1 ZINC001347104321 980973022 /nfs/dbraw/zinc/97/30/22/980973022.db2.gz LJUPKTLXHALVOV-AWEZNQCLSA-N 0 1 242.326 2.436 20 0 BEADMN Nc1ccc(-c2cccc3cncn32)c(F)n1 ZINC001239828396 980973560 /nfs/dbraw/zinc/97/35/60/980973560.db2.gz NYQLOBNBISERJD-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN Cc1nc2cncc(-c3ccc(N)nc3F)c2[nH]1 ZINC001239832565 980975520 /nfs/dbraw/zinc/97/55/20/980975520.db2.gz JNWUHJYRHYSNFF-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1nc2c[nH]cc(-c3ccc(N)nc3F)c-2n1 ZINC001239832565 980975524 /nfs/dbraw/zinc/97/55/24/980975524.db2.gz JNWUHJYRHYSNFF-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Nc1ccc(-c2cccn3cncc23)c(F)n1 ZINC001239833398 980976406 /nfs/dbraw/zinc/97/64/06/980976406.db2.gz QJXAFVINODWAIN-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN COc1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001239844645 980983117 /nfs/dbraw/zinc/98/31/17/980983117.db2.gz AXGLKXSTNWCDDC-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595408734 981001369 /nfs/dbraw/zinc/00/13/69/981001369.db2.gz MYJQFBFEIAMDGP-MWLCHTKSSA-N 0 1 236.315 2.333 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595415278 981026976 /nfs/dbraw/zinc/02/69/76/981026976.db2.gz BWRYVTXPILYYCB-KOLCDFICSA-N 0 1 236.315 2.476 20 0 BEADMN COc1cncc(-c2cccc3cncn32)c1 ZINC001239929974 981039606 /nfs/dbraw/zinc/03/96/06/981039606.db2.gz BPPBGBIWJIXUHS-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cc1ccncc1-c1nccc2c1CCN2 ZINC001239971801 981071978 /nfs/dbraw/zinc/07/19/78/981071978.db2.gz FNWUEDLZEMPEHI-UHFFFAOYSA-N 0 1 211.268 2.420 20 0 BEADMN Cc1cccc2nc(C(=O)N3CCCCO3)[nH]c21 ZINC001151982713 981114576 /nfs/dbraw/zinc/11/45/76/981114576.db2.gz HQKXPOSPGBGTOQ-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595459503 981138807 /nfs/dbraw/zinc/13/88/07/981138807.db2.gz XSBPSSUIDBLYIU-JTQLQIEISA-N 0 1 222.288 2.087 20 0 BEADMN Cc1nn(C)c(C)c1-c1ccc2cncn2c1 ZINC001240143942 981144391 /nfs/dbraw/zinc/14/43/91/981144391.db2.gz GEWPAFNPZSTLGT-UHFFFAOYSA-N 0 1 226.283 2.352 20 0 BEADMN C[C@H](NCc1cccn1C1CC1)c1cnn(C)c1 ZINC001347782855 981170927 /nfs/dbraw/zinc/17/09/27/981170927.db2.gz UGKREGYDXFBQPH-NSHDSACASA-N 0 1 244.342 2.407 20 0 BEADMN c1cc(CN2CCN(C3CC3)CC2)n(C2CC2)c1 ZINC001347782531 981172067 /nfs/dbraw/zinc/17/20/67/981172067.db2.gz RHOKSTQPIMMRMN-UHFFFAOYSA-N 0 1 245.370 2.103 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1c(O)ccc(F)c1F ZINC001192718293 981187414 /nfs/dbraw/zinc/18/74/14/981187414.db2.gz VTDQGHPRJSHUBT-ZETCQYMHSA-N 0 1 243.253 2.445 20 0 BEADMN CC(C(=O)NCc1n[nH]c(C(C)C)n1)=C1CCC1 ZINC001347922619 981219470 /nfs/dbraw/zinc/21/94/70/981219470.db2.gz YQYGKGFFWHPOIU-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN Cc1nc(-c2cnn(C)c2)cc2[nH]ccc21 ZINC001240293800 981241526 /nfs/dbraw/zinc/24/15/26/981241526.db2.gz NWHOPQFADWUKTR-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1nn(C)cc1-c1cccc2nc[nH]c21 ZINC001240301639 981264070 /nfs/dbraw/zinc/26/40/70/981264070.db2.gz SBJDGRZPMSHFFM-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN c1cc2c(ccnc2-c2ccc3ncnn3c2)[nH]1 ZINC001240354916 981311120 /nfs/dbraw/zinc/31/11/20/981311120.db2.gz KWJHCHIDLFYLGJ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCOC(CN(C)CCOC(C)(C)C)OCC ZINC000689986948 981311961 /nfs/dbraw/zinc/31/19/61/981311961.db2.gz CZYSRVJBBZPFNX-UHFFFAOYSA-N 0 1 247.379 2.132 20 0 BEADMN Cc1c(-c2ccc3cncn3c2)cnn1C ZINC001240381242 981318551 /nfs/dbraw/zinc/31/85/51/981318551.db2.gz FUQWRXAQLBXBHN-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN c1cc2cc(-c3nccc4[nH]cnc43)cnc2[nH]1 ZINC001240390586 981349050 /nfs/dbraw/zinc/34/90/50/981349050.db2.gz UWLGZOMMZUMDPN-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN c1cc2cc(-c3[nH]ccc4ncnc3-4)cnc2[nH]1 ZINC001240390586 981349056 /nfs/dbraw/zinc/34/90/56/981349056.db2.gz UWLGZOMMZUMDPN-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)[nH]n2)C[C@H](CC)O1 ZINC001348634652 981412098 /nfs/dbraw/zinc/41/20/98/981412098.db2.gz VOTFCJNBXWBLEZ-STQMWFEESA-N 0 1 237.347 2.108 20 0 BEADMN c1nn(CC2CC2)cc1-c1nccc2c1CCN2 ZINC001240510944 981435959 /nfs/dbraw/zinc/43/59/59/981435959.db2.gz YIRNIFFHVGZJQR-UHFFFAOYSA-N 0 1 240.310 2.323 20 0 BEADMN CCCCCOC(=O)N1CCN(CC)C[C@H]1C ZINC001193765379 981448304 /nfs/dbraw/zinc/44/83/04/981448304.db2.gz XTXASPBEACYOQP-GFCCVEGCSA-N 0 1 242.363 2.339 20 0 BEADMN O[C@H](CCSCc1nnc[nH]1)c1ccccc1 ZINC001348808600 981448448 /nfs/dbraw/zinc/44/84/48/981448448.db2.gz ZBLSCSIFULVLQH-LLVKDONJSA-N 0 1 249.339 2.162 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001595574021 981490347 /nfs/dbraw/zinc/49/03/47/981490347.db2.gz OJFPREKQUABYRI-NWDGAFQWSA-N 0 1 245.363 2.233 20 0 BEADMN Cc1cnccc1-c1cc2[nH]cnc2cn1 ZINC001240605434 981495070 /nfs/dbraw/zinc/49/50/70/981495070.db2.gz HHBYEIVEUHRUPJ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)ccc1O ZINC001240614543 981512966 /nfs/dbraw/zinc/51/29/66/981512966.db2.gz PXNDRYFJUXEQIG-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)ccc1O ZINC001240614543 981512972 /nfs/dbraw/zinc/51/29/72/981512972.db2.gz PXNDRYFJUXEQIG-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CC(C)=Cc1cccc(N2CCN(C)CC2)n1 ZINC001240633545 981525790 /nfs/dbraw/zinc/52/57/90/981525790.db2.gz OMLSDVLXWYFVLG-UHFFFAOYSA-N 0 1 231.343 2.257 20 0 BEADMN Cc1cc(O)ccc1-c1nc2nc[nH]c2c(C)n1 ZINC001240637868 981529901 /nfs/dbraw/zinc/52/99/01/981529901.db2.gz CYKPOODNNIBVNC-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN CCC[C@@H](C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)OC ZINC001595590682 981546251 /nfs/dbraw/zinc/54/62/51/981546251.db2.gz CHSSSYSMTLXFIN-JQWIXIFHSA-N 0 1 243.347 2.129 20 0 BEADMN CCCCCN1CCN(C(=O)OCCC)CC1 ZINC001194106413 981555903 /nfs/dbraw/zinc/55/59/03/981555903.db2.gz NGFHBXXLFUMOPA-UHFFFAOYSA-N 0 1 242.363 2.341 20 0 BEADMN CCCC(N)=[NH+]OCc1csc(C(=O)[O-])c1 ZINC001595594463 981561535 /nfs/dbraw/zinc/56/15/35/981561535.db2.gz RHDOLTVTDOQJIX-UHFFFAOYSA-N 0 1 242.300 2.245 20 0 BEADMN Nc1ccnc(-c2cnn([C@@H]3CCCCO3)c2)c1 ZINC001240668571 981578069 /nfs/dbraw/zinc/57/80/69/981578069.db2.gz ATNABRQKQHRHNT-ZDUSSCGKSA-N 0 1 244.298 2.226 20 0 BEADMN CCCCCCOC(=O)N1CCN2CC[C@@H]2C1 ZINC001194181329 981589514 /nfs/dbraw/zinc/58/95/14/981589514.db2.gz PTLXCXGISDXJDA-GFCCVEGCSA-N 0 1 240.347 2.093 20 0 BEADMN c1cc(-c2cnc(C3CC3)nc2)cc2nn[nH]c12 ZINC001240686382 981590259 /nfs/dbraw/zinc/59/02/59/981590259.db2.gz LYJXGNBXKXLJIC-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN c1cc(-c2cnc(C3CC3)nc2)cc2[nH]nnc12 ZINC001240686382 981590262 /nfs/dbraw/zinc/59/02/62/981590262.db2.gz LYJXGNBXKXLJIC-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Oc1ccccc1 ZINC001194231706 981594067 /nfs/dbraw/zinc/59/40/67/981594067.db2.gz UZTIXZZHTUNGOQ-NWDGAFQWSA-N 0 1 248.326 2.210 20 0 BEADMN [O-]c1ccc(F)cc1-c1ccc2c(n1)CC[NH2+]C2 ZINC001240693725 981599846 /nfs/dbraw/zinc/59/98/46/981599846.db2.gz XCUIYPODMGJCBY-UHFFFAOYSA-N 0 1 244.269 2.239 20 0 BEADMN c1cnc([C@H]2CCCN2CC[C@@H]2CCOC2)nc1 ZINC001349672862 981629119 /nfs/dbraw/zinc/62/91/19/981629119.db2.gz IHIYTVJVLXRRCU-CHWSQXEVSA-N 0 1 247.342 2.040 20 0 BEADMN CC(C)N1CCN(C(=O)OCC(C)(C)C)CC1 ZINC001194354351 981729438 /nfs/dbraw/zinc/72/94/38/981729438.db2.gz ZPLWJTIDULBVFZ-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1ncccc1-c1cccc2[nH]nnc21 ZINC001240730460 981786190 /nfs/dbraw/zinc/78/61/90/981786190.db2.gz KLTODOLDOKDADQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1C[C@H]1F ZINC001349846827 981787997 /nfs/dbraw/zinc/78/79/97/981787997.db2.gz NPJIZELNSXIKPB-UJURSFKZSA-N 0 1 247.628 2.481 20 0 BEADMN CCCC[C@@H](C)C(=O)NCc1cc(N)ccn1 ZINC001349909308 981810606 /nfs/dbraw/zinc/81/06/06/981810606.db2.gz XHZYXJRWCXNHNS-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CCCCN1CCN(C(=O)CCC(C)C)CC1 ZINC000079493207 981837441 /nfs/dbraw/zinc/83/74/41/981837441.db2.gz RUQYNLOVNLKVPQ-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001588597658 981853764 /nfs/dbraw/zinc/85/37/64/981853764.db2.gz XWIBYINAGHDCIC-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CCCN1CCN(C(=O)OC[C@@H](C)CC)CC1 ZINC001194787235 981877823 /nfs/dbraw/zinc/87/78/23/981877823.db2.gz OEZOFJKPJGNVDE-LBPRGKRZSA-N 0 1 242.363 2.197 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594805011 981904163 /nfs/dbraw/zinc/90/41/63/981904163.db2.gz OXLNDXSMAXARNX-SNVBAGLBSA-N 0 1 241.331 2.254 20 0 BEADMN COCCCc1nc2ccc(NC(C)=O)cc2[nH]1 ZINC001250601875 981920506 /nfs/dbraw/zinc/92/05/06/981920506.db2.gz ADIBCKCWFDJDDO-UHFFFAOYSA-N 0 1 247.298 2.100 20 0 BEADMN COCc1nc2cc(C)c(OC)cc2[nH]1 ZINC001250602113 981922879 /nfs/dbraw/zinc/92/28/79/981922879.db2.gz FANPYTVSCMDYDD-UHFFFAOYSA-N 0 1 206.245 2.026 20 0 BEADMN c1nnc(CN2CCC(C3CCCC3)CC2)[nH]1 ZINC001350363280 981943835 /nfs/dbraw/zinc/94/38/35/981943835.db2.gz BWPJABZBZZUBLO-UHFFFAOYSA-N 0 1 234.347 2.207 20 0 BEADMN CC(C)[C@@H](NCc1nnc[nH]1)c1ccc(F)cc1 ZINC001350364919 981945332 /nfs/dbraw/zinc/94/53/32/981945332.db2.gz OIJDQJUOPNVFQW-CYBMUJFWSA-N 0 1 248.305 2.431 20 0 BEADMN CC(C)C[C@]1(C)CCC[N@@H+]1Cc1nnc[n-]1 ZINC001350378500 981954120 /nfs/dbraw/zinc/95/41/20/981954120.db2.gz XLCBAZWZDRRKFY-LBPRGKRZSA-N 0 1 222.336 2.205 20 0 BEADMN CC(C)C[C@]1(C)CCC[N@H+]1Cc1nnc[n-]1 ZINC001350378500 981954139 /nfs/dbraw/zinc/95/41/39/981954139.db2.gz XLCBAZWZDRRKFY-LBPRGKRZSA-N 0 1 222.336 2.205 20 0 BEADMN Cc1ccc(C2(NCc3nnc[nH]3)CCC2)cc1 ZINC001350381037 981955595 /nfs/dbraw/zinc/95/55/95/981955595.db2.gz LDIRVWYFQDGZAE-UHFFFAOYSA-N 0 1 242.326 2.282 20 0 BEADMN Cc1ccc(F)cc1-c1cnc(CN)nc1 ZINC001240919860 981975845 /nfs/dbraw/zinc/97/58/45/981975845.db2.gz HLDVIDJIWDXQRA-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN Oc1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001240920839 981980188 /nfs/dbraw/zinc/98/01/88/981980188.db2.gz JRQADHYLSSKQEU-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1cccc(-c2nccc3[nH]cnc32)c1 ZINC001240920839 981980195 /nfs/dbraw/zinc/98/01/95/981980195.db2.gz JRQADHYLSSKQEU-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CSCCCNC(=O)c1cccc2nc[nH]c21 ZINC001586439148 981992201 /nfs/dbraw/zinc/99/22/01/981992201.db2.gz FHPMSMJREAMTFN-UHFFFAOYSA-N 0 1 249.339 2.046 20 0 BEADMN c1nc2cc(-c3cnn4cccnc34)ccc2[nH]1 ZINC001240927623 982000372 /nfs/dbraw/zinc/00/03/72/982000372.db2.gz LCKMCYZNIOMXSK-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN NCc1ncc(-c2cccc3ncccc32)cn1 ZINC001240937928 982012005 /nfs/dbraw/zinc/01/20/05/982012005.db2.gz IGLJAMXMKDWLMM-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@H]2C(C)C)n[nH]1 ZINC001586835717 982031207 /nfs/dbraw/zinc/03/12/07/982031207.db2.gz LELARRCJGJKIGH-ZDUSSCGKSA-N 0 1 249.358 2.298 20 0 BEADMN Oc1ccccc1-c1ncc2cc[nH]c2n1 ZINC001241002293 982084751 /nfs/dbraw/zinc/08/47/51/982084751.db2.gz YTRYMOCBIJELBP-UHFFFAOYSA-N 0 1 211.224 2.282 20 0 BEADMN Oc1ccccc1-c1cncc2nc[nH]c21 ZINC001241013786 982105762 /nfs/dbraw/zinc/10/57/62/982105762.db2.gz MEQVBYBBHLGJDQ-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CN(C)Cc1ccc(-c2ccccc2N)nc1 ZINC001241063416 982175906 /nfs/dbraw/zinc/17/59/06/982175906.db2.gz GTTVGIDCUSAWEI-UHFFFAOYSA-N 0 1 227.311 2.392 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001594873054 982191988 /nfs/dbraw/zinc/19/19/88/982191988.db2.gz IXACKKBTFBBFMX-DDHJBXDOSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ncccn1 ZINC001351321452 982280778 /nfs/dbraw/zinc/28/07/78/982280778.db2.gz XZOIHLBLAWXOHC-QWRGUYRKSA-N 0 1 249.358 2.473 20 0 BEADMN OCc1ccc(F)c(-c2ccc3[nH]nnc3c2)c1 ZINC001241152755 982289152 /nfs/dbraw/zinc/28/91/52/982289152.db2.gz RTMOHNRJZZMVKP-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241152755 982289163 /nfs/dbraw/zinc/28/91/63/982289163.db2.gz RTMOHNRJZZMVKP-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1CCCC1CCC1 ZINC001195687310 982333300 /nfs/dbraw/zinc/33/33/00/982333300.db2.gz VKKFGASQLHNRJX-SDDRHHMPSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCOC(C)(C)C)C1CC1 ZINC001588592906 982334306 /nfs/dbraw/zinc/33/43/06/982334306.db2.gz PGVCLBCWFNSWGG-SNVBAGLBSA-N 0 1 243.347 2.129 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccn1C1CC1)C1CC1 ZINC001588597072 982339556 /nfs/dbraw/zinc/33/95/56/982339556.db2.gz OAAQRZLJMRJBGC-SNVBAGLBSA-N 0 1 248.326 2.261 20 0 BEADMN Fc1cnccc1-c1cc2nc[nH]c2cn1 ZINC001241223615 982363994 /nfs/dbraw/zinc/36/39/94/982363994.db2.gz IVNWGTJVJUCYOQ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CC(=O)Nc1cccc(CNC(C)(C)CF)c1 ZINC001351780999 982384525 /nfs/dbraw/zinc/38/45/25/982384525.db2.gz JBSZEFGGGABTRS-UHFFFAOYSA-N 0 1 238.306 2.483 20 0 BEADMN CCOc1cccc(-c2cnc(CN)nc2)c1F ZINC001241264891 982399993 /nfs/dbraw/zinc/39/99/93/982399993.db2.gz YWTXXTBXZNNIJA-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN CC[C@@H]1C[N@@H+](CCc2ccc(F)cc2)CCO1 ZINC001351926588 982411347 /nfs/dbraw/zinc/41/13/47/982411347.db2.gz HBFZNJOWPUQHSF-CQSZACIVSA-N 0 1 237.318 2.479 20 0 BEADMN CC[C@@H]1CN(CCc2ccc(F)cc2)CCO1 ZINC001351926588 982411354 /nfs/dbraw/zinc/41/13/54/982411354.db2.gz HBFZNJOWPUQHSF-CQSZACIVSA-N 0 1 237.318 2.479 20 0 BEADMN CN1CC=C(c2cnc(C(F)(F)F)cn2)CC1 ZINC001241307567 982443107 /nfs/dbraw/zinc/44/31/07/982443107.db2.gz IZMSOWKEQVMMKL-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CC(C)c1cncnc1C1=CCN(C)CC1 ZINC001241308076 982447807 /nfs/dbraw/zinc/44/78/07/982447807.db2.gz GHFWYUVVDZGQPV-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CC=C(c2ncnc3c2SCCC3)CC1 ZINC001241312584 982454984 /nfs/dbraw/zinc/45/49/84/982454984.db2.gz HFTIATJTOHLGPZ-UHFFFAOYSA-N 0 1 247.367 2.234 20 0 BEADMN CCN(CC)c1cncc(C2=CCN(C)CC2)n1 ZINC001241311727 982457310 /nfs/dbraw/zinc/45/73/10/982457310.db2.gz ZVQKQSKXXRIBEL-UHFFFAOYSA-N 0 1 246.358 2.042 20 0 BEADMN CN1CC=C(c2nccnc2OC2CCC2)CC1 ZINC001241317125 982466146 /nfs/dbraw/zinc/46/61/46/982466146.db2.gz KKKHHZRQMNJLCI-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN CC(C)c1nccnc1C1=CCN(C)CC1 ZINC001241317423 982472543 /nfs/dbraw/zinc/47/25/43/982472543.db2.gz OJRWZYHKQQSLHU-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CC[C@@H](C)Oc1nccnc1C1=CCN(C)CC1 ZINC001241318149 982473113 /nfs/dbraw/zinc/47/31/13/982473113.db2.gz ZWEZEROIGDVTSW-LLVKDONJSA-N 0 1 247.342 2.373 20 0 BEADMN Cc1cnc(F)cc1C1=CCN(C)CC1 ZINC001241317329 982475652 /nfs/dbraw/zinc/47/56/52/982475652.db2.gz LZXPPKSUZAWVRU-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1cc(C2=NN(C)C(=O)C2)ccc1F ZINC000716802758 982476879 /nfs/dbraw/zinc/47/68/79/982476879.db2.gz PVANBMQPTXHWSK-UHFFFAOYSA-N 0 1 206.220 2.240 20 0 BEADMN CCc1ccc(C2=CC[N@@H+](C)CC2)cn1 ZINC001241322273 982481195 /nfs/dbraw/zinc/48/11/95/982481195.db2.gz KSTRDNLGBBRCGC-UHFFFAOYSA-N 0 1 202.301 2.363 20 0 BEADMN CN(C)c1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241370762 982532404 /nfs/dbraw/zinc/53/24/04/982532404.db2.gz QKSHFFUPNHEHNT-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241370762 982532412 /nfs/dbraw/zinc/53/24/12/982532412.db2.gz QKSHFFUPNHEHNT-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1ncc(-c2cc3nc[nH]c3cn2)s1 ZINC001241411041 982557759 /nfs/dbraw/zinc/55/77/59/982557759.db2.gz YWEFKIYXOGOOAT-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN Cc1cc(C)c(NC(=O)Nc2c[nH]nn2)c(C)c1 ZINC001197833207 982600057 /nfs/dbraw/zinc/60/00/57/982600057.db2.gz WJDHGEHARNQMSE-UHFFFAOYSA-N 0 1 245.286 2.374 20 0 BEADMN Cn1ncc2cccc(-c3cc(N)ccn3)c21 ZINC001241452974 982607997 /nfs/dbraw/zinc/60/79/97/982607997.db2.gz QLAAFEZZGXZVAJ-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN c1nc2cc(-c3cncs3)ncc2[nH]1 ZINC001241495819 982611737 /nfs/dbraw/zinc/61/17/37/982611737.db2.gz WTTTYEMKGPWVMN-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1cccc(CN2C[C@H](CO)C[C@H](F)C2)c1 ZINC001203888726 982636914 /nfs/dbraw/zinc/63/69/14/982636914.db2.gz YUGDZZDQHOYMMC-KGLIPLIRSA-N 0 1 237.318 2.147 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@H]1c1cccnc1 ZINC001589231430 982670440 /nfs/dbraw/zinc/67/04/40/982670440.db2.gz MCYJIPDTRWJDDU-ZDUSSCGKSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1noc(CN2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)n1 ZINC001198251631 982674893 /nfs/dbraw/zinc/67/48/93/982674893.db2.gz IVVLWMNSHMIBJT-KZVDOYCCSA-N 0 1 245.326 2.022 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CCC(=O)[O-] ZINC001589256887 982682732 /nfs/dbraw/zinc/68/27/32/982682732.db2.gz NYCOHROFGQXAKO-NWDGAFQWSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001594960476 982710662 /nfs/dbraw/zinc/71/06/62/982710662.db2.gz FVTAKEZKHAFHHI-VIFPVBQESA-N 0 1 224.304 2.191 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1[nH]nc2c1CC[C@H]2C ZINC001198425716 982713903 /nfs/dbraw/zinc/71/39/03/982713903.db2.gz SGQOFEUTFCBTRG-RKDXNWHRSA-N 0 1 235.331 2.234 20 0 BEADMN Fc1cccnc1-c1c[nH]cc2ncnc1-2 ZINC001241541198 982723272 /nfs/dbraw/zinc/72/32/72/982723272.db2.gz MJJKBTQBHGJGMW-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cccnc1-c1cncc2nc[nH]c21 ZINC001241541198 982723292 /nfs/dbraw/zinc/72/32/92/982723292.db2.gz MJJKBTQBHGJGMW-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CC[C@@H](O)CNc1cc2n[nH]cc2cc1Cl ZINC001251797984 982726574 /nfs/dbraw/zinc/72/65/74/982726574.db2.gz AQHQQMVBPOXUGG-MRVPVSSYSA-N 0 1 239.706 2.399 20 0 BEADMN CCc1cccc(-c2ncnc3c2CNC3)c1 ZINC001241544590 982746206 /nfs/dbraw/zinc/74/62/06/982746206.db2.gz DBWOMIXHZSCRHP-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN CN(C)Cc1ccc(-c2ccc(CO)cc2)nc1 ZINC001241556143 982777310 /nfs/dbraw/zinc/77/73/10/982777310.db2.gz MFFLKEZFSJFISV-UHFFFAOYSA-N 0 1 242.322 2.303 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001589441687 982791185 /nfs/dbraw/zinc/79/11/85/982791185.db2.gz UWKJGVCICXDDHI-ZDUSSCGKSA-N 0 1 246.310 2.463 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC(=O)C(C)(C)C)CC(=O)[O-] ZINC001594984000 982792922 /nfs/dbraw/zinc/79/29/22/982792922.db2.gz XWZBBXFLKHJFCU-SNVBAGLBSA-N 0 1 243.347 2.177 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001589445055 982793473 /nfs/dbraw/zinc/79/34/73/982793473.db2.gz ILYCGNZSXYBMBJ-AAEUAGOBSA-N 0 1 248.326 2.124 20 0 BEADMN CC(C)(C)/C=C/c1cc2c(nn1)CNC2 ZINC001241563092 982795101 /nfs/dbraw/zinc/79/51/01/982795101.db2.gz VLSPSKJHSHEOHD-SNAWJCMRSA-N 0 1 203.289 2.139 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC001589444767 982800120 /nfs/dbraw/zinc/80/01/20/982800120.db2.gz FGBIWXFSDUXBQA-WCQYABFASA-N 0 1 248.326 2.043 20 0 BEADMN Cc1cc(NC2CC2)nc(C2=CCCN(C)C2)n1 ZINC001241564838 982801880 /nfs/dbraw/zinc/80/18/80/982801880.db2.gz CURFPEQXYQDPDN-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CN1CCC=C(c2nncc3ccc(F)cc32)C1 ZINC001241565159 982806219 /nfs/dbraw/zinc/80/62/19/982806219.db2.gz FPVNELLDWPPBBX-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN Cc1nc2ccoc2c(C2=CCCN(C)C2)n1 ZINC001241565593 982806650 /nfs/dbraw/zinc/80/66/50/982806650.db2.gz KVKPMWHPPBTJKB-UHFFFAOYSA-N 0 1 229.283 2.250 20 0 BEADMN C=C(OCC)c1ccc(C2=CCCN(C)C2)nn1 ZINC001241565521 982806746 /nfs/dbraw/zinc/80/67/46/982806746.db2.gz LTEJPXVNTAVMOY-UHFFFAOYSA-N 0 1 245.326 2.203 20 0 BEADMN CN1CCC=C(c2nccc(NCC3CC3)n2)C1 ZINC001241566000 982807825 /nfs/dbraw/zinc/80/78/25/982807825.db2.gz PWRBFHCJVWWMDS-UHFFFAOYSA-N 0 1 244.342 2.017 20 0 BEADMN CN1CCC=C(c2ncc3ccccc3n2)C1 ZINC001241566551 982810479 /nfs/dbraw/zinc/81/04/79/982810479.db2.gz YTQZWYUKNPORAB-UHFFFAOYSA-N 0 1 225.295 2.349 20 0 BEADMN CN1CCC=C(c2nccc3ncsc32)C1 ZINC001241566785 982812758 /nfs/dbraw/zinc/81/27/58/982812758.db2.gz DFHIIPPXCXXBHS-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CN1CCC=C(c2ncc(C(F)F)cn2)C1 ZINC001241569283 982815226 /nfs/dbraw/zinc/81/52/26/982815226.db2.gz UZGVIZKEZJTNQS-UHFFFAOYSA-N 0 1 225.242 2.133 20 0 BEADMN CN1CCC=C(c2ccc(-c3ccco3)nn2)C1 ZINC001241569024 982817496 /nfs/dbraw/zinc/81/74/96/982817496.db2.gz ZYXCRBMXSGNHMQ-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CN1CCC=C(c2cccc3c2COC3=O)C1 ZINC001241570012 982818896 /nfs/dbraw/zinc/81/88/96/982818896.db2.gz CPKHOOZJTISACG-UHFFFAOYSA-N 0 1 229.279 2.076 20 0 BEADMN COc1cc(C2=CCCN(C)C2)cc(C)n1 ZINC001241572124 982827442 /nfs/dbraw/zinc/82/74/42/982827442.db2.gz QSBKVIVWLWKVPW-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN OC1(CN[C@H]2C[C@]2(F)c2ccccc2)CCC1 ZINC001353309286 982831217 /nfs/dbraw/zinc/83/12/17/982831217.db2.gz DRWLGBXRAKGIAP-JSGCOSHPSA-N 0 1 235.302 2.128 20 0 BEADMN CCCOc1cccc(-c2cnc(CN)nc2)c1 ZINC001241591430 982837753 /nfs/dbraw/zinc/83/77/53/982837753.db2.gz WYMFVFUWAYKHFB-UHFFFAOYSA-N 0 1 243.310 2.391 20 0 BEADMN CCCC[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001589647697 982856530 /nfs/dbraw/zinc/85/65/30/982856530.db2.gz MAAGXMDPFMATQB-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN COc1cncc(-c2ccc3c(c2)n[nH]c3C)n1 ZINC001241637022 982875102 /nfs/dbraw/zinc/87/51/02/982875102.db2.gz QQRRDPKPLROOSF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2cc(-c3cnc(F)cn3)ccc12 ZINC001241640501 982878428 /nfs/dbraw/zinc/87/84/28/982878428.db2.gz VBLQHHFNFPNRSL-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC[N@@H+](Cc1ccc(CF)cc1)[C@H](C)C(=O)[O-] ZINC001589736469 982879724 /nfs/dbraw/zinc/87/97/24/982879724.db2.gz SNBFCWPAKDTSHE-SNVBAGLBSA-N 0 1 239.290 2.451 20 0 BEADMN COc1cc(-c2nccc(N)c2C)c(F)cn1 ZINC001241662357 982894093 /nfs/dbraw/zinc/89/40/93/982894093.db2.gz YEZBVAFWKDBHDV-UHFFFAOYSA-N 0 1 233.246 2.182 20 0 BEADMN COc1cc(-c2nccc3[nH]cnc32)c(F)cn1 ZINC001241661120 982894548 /nfs/dbraw/zinc/89/45/48/982894548.db2.gz ROQKURCTGRFMHF-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2ccc3n[nH]c(C)c3c2)ncn1 ZINC001241665782 982902199 /nfs/dbraw/zinc/90/21/99/982902199.db2.gz MHNKNPYPTXKJPE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1ncc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241691672 982947001 /nfs/dbraw/zinc/94/70/01/982947001.db2.gz QILKRWHCXUHXBG-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCOc1nccnc1-c1ccc2[nH]cnc2c1 ZINC001241692228 982954508 /nfs/dbraw/zinc/95/45/08/982954508.db2.gz IMDRDFCQRUTEMU-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001241704695 982967607 /nfs/dbraw/zinc/96/76/07/982967607.db2.gz VHUHOHPBDKDOEP-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN c1c2c(nnc1C1=CCCCC1)CNC2 ZINC001241715571 982979200 /nfs/dbraw/zinc/97/92/00/982979200.db2.gz ZKBOPYOJIDRBHM-UHFFFAOYSA-N 0 1 201.273 2.037 20 0 BEADMN Cc1ncc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001205870352 982982811 /nfs/dbraw/zinc/98/28/11/982982811.db2.gz ZUKDFVSBDLCZIH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cs1 ZINC001119605901 983005087 /nfs/dbraw/zinc/00/50/87/983005087.db2.gz DAWHAUOPGLZSFB-UHFFFAOYSA-N 0 1 237.324 2.106 20 0 BEADMN Fc1ccc(-c2nccc3[nH]cnc32)nc1 ZINC001241803776 983060407 /nfs/dbraw/zinc/06/04/07/983060407.db2.gz VEWAPNACIGSRHE-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152701936 983061849 /nfs/dbraw/zinc/06/18/49/983061849.db2.gz MLJNBMVJLKYASM-SNVBAGLBSA-N 0 1 248.317 2.046 20 0 BEADMN c1nc(-c2cccc3cncn32)cs1 ZINC001241891756 983107325 /nfs/dbraw/zinc/10/73/25/983107325.db2.gz LPXSUHSPFZWCPF-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN C[C@@H](C1CC1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592181076 983118667 /nfs/dbraw/zinc/11/86/67/983118667.db2.gz OYJPJEXLSRLMHH-VIFPVBQESA-N 0 1 231.295 2.499 20 0 BEADMN c1nc2cncc(-c3cnn(C4CC4)c3)c2[nH]1 ZINC001241907981 983121617 /nfs/dbraw/zinc/12/16/17/983121617.db2.gz UPGVWZGQYUDIIV-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN c1nc2c(cncc2-c2cnn(C3CC3)c2)[nH]1 ZINC001241907981 983121620 /nfs/dbraw/zinc/12/16/20/983121620.db2.gz UPGVWZGQYUDIIV-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1cnn(C2CC2)c1 ZINC001241907930 983121879 /nfs/dbraw/zinc/12/18/79/983121879.db2.gz RGOWGKUZQNQZQB-UHFFFAOYSA-N 0 1 243.245 2.295 20 0 BEADMN Cc1cc(CNc2ccc3nn[nH]c3c2)sn1 ZINC001201150441 983140411 /nfs/dbraw/zinc/14/04/11/983140411.db2.gz ISAYVXKXWWCAFV-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1cc(CNc2ccc3n[nH]nc3c2)sn1 ZINC001201150441 983140419 /nfs/dbraw/zinc/14/04/19/983140419.db2.gz ISAYVXKXWWCAFV-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241938478 983147787 /nfs/dbraw/zinc/14/77/87/983147787.db2.gz LWGLGEDUGOVUCT-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241938478 983147795 /nfs/dbraw/zinc/14/77/95/983147795.db2.gz LWGLGEDUGOVUCT-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COCc1ccnc(-c2ccc3[nH]nnc3c2)c1 ZINC001241938177 983150754 /nfs/dbraw/zinc/15/07/54/983150754.db2.gz GXHMEXPPDNBTND-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COCc1ccnc(-c2ccc3nn[nH]c3c2)c1 ZINC001241938177 983150762 /nfs/dbraw/zinc/15/07/62/983150762.db2.gz GXHMEXPPDNBTND-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN CCOc1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241938618 983151201 /nfs/dbraw/zinc/15/12/01/983151201.db2.gz RULMOEGAUSHFIF-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241938618 983151207 /nfs/dbraw/zinc/15/12/07/983151207.db2.gz RULMOEGAUSHFIF-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccnc(-c2ccc3nn[nH]c3c2)c1 ZINC001241938956 983152881 /nfs/dbraw/zinc/15/28/81/983152881.db2.gz ZABGYONOEGYCFZ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Fc1cnc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241940368 983154898 /nfs/dbraw/zinc/15/48/98/983154898.db2.gz CUCSEEQXCOLZPX-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Cc1ncnc(C)c1-c1ccc2[nH]nnc2c1 ZINC001241940426 983154951 /nfs/dbraw/zinc/15/49/51/983154951.db2.gz FSAJUWOHUSEVRF-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ncnc(C)c1-c1ccc2nn[nH]c2c1 ZINC001241940426 983154958 /nfs/dbraw/zinc/15/49/58/983154958.db2.gz FSAJUWOHUSEVRF-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN c1cc(-c2cc(C3CC3)ncn2)cc2[nH]nnc12 ZINC001241939812 983156531 /nfs/dbraw/zinc/15/65/31/983156531.db2.gz LSSAJLUVPIWJDG-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN Fc1ccnc(F)c1-c1ccc2nn[nH]c2c1 ZINC001241941753 983160834 /nfs/dbraw/zinc/16/08/34/983160834.db2.gz MBJXJBSDAWRASZ-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Nc1ccc(F)c(-c2ccc3[nH]nnc3c2)c1 ZINC001241942936 983162483 /nfs/dbraw/zinc/16/24/83/983162483.db2.gz UBZAHPSSEHTDLX-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241942936 983162485 /nfs/dbraw/zinc/16/24/85/983162485.db2.gz UBZAHPSSEHTDLX-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CC(=O)N1CC=C(c2ccc3nc[nH]c3c2)CC1 ZINC001241968208 983175974 /nfs/dbraw/zinc/17/59/74/983175974.db2.gz HYYDHCRVLVBWKY-UHFFFAOYSA-N 0 1 241.294 2.199 20 0 BEADMN Cc1cc(-c2nc3nc[nH]c3c(C)n2)cc(C)n1 ZINC001241989808 983180357 /nfs/dbraw/zinc/18/03/57/983180357.db2.gz KYFVFEOGELSWEV-UHFFFAOYSA-N 0 1 239.282 2.292 20 0 BEADMN CCOC(=O)[C@@]12C[C@@H]1CCN2CC(C)(C)C ZINC001201432789 983215299 /nfs/dbraw/zinc/21/52/99/983215299.db2.gz LGIYYCWPRJLDHH-GXFFZTMASA-N 0 1 225.332 2.060 20 0 BEADMN Cc1noc(N[C@H]2c3ccccc3OC[C@H]2F)n1 ZINC001354267047 983240091 /nfs/dbraw/zinc/24/00/91/983240091.db2.gz FCAJPCLILIRWHD-KOLCDFICSA-N 0 1 249.245 2.262 20 0 BEADMN CC(C)CN1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001201469518 983241292 /nfs/dbraw/zinc/24/12/92/983241292.db2.gz WZKQPUWQVIYYMA-AWEZNQCLSA-N 0 1 244.338 2.155 20 0 BEADMN COc1ccncc1-c1ccc2cncn2c1 ZINC001242056379 983261833 /nfs/dbraw/zinc/26/18/33/983261833.db2.gz HNKDCDJXKUHUDW-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COc1ccncc1-c1cccc2[nH]nnc21 ZINC001242059108 983270338 /nfs/dbraw/zinc/27/03/38/983270338.db2.gz YLHSAUGIVOUSHW-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCN(C)C(=O)C1 ZINC001201482135 983284522 /nfs/dbraw/zinc/28/45/22/983284522.db2.gz GBUVZTPGSBCDDQ-CYBMUJFWSA-N 0 1 238.375 2.143 20 0 BEADMN CCC(CC)CN1CC(N2CCC(F)(F)C2)C1 ZINC001201531329 983325509 /nfs/dbraw/zinc/32/55/09/983325509.db2.gz LYGXNDIFHHVIHR-UHFFFAOYSA-N 0 1 246.345 2.448 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)NC[C@H]1C ZINC001201568705 983336494 /nfs/dbraw/zinc/33/64/94/983336494.db2.gz WJNFXZPWZZGWIM-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CCn2cc(-c3ccccc3)nc2C1 ZINC001201587623 983351061 /nfs/dbraw/zinc/35/10/61/983351061.db2.gz SXTRPNZBLZIAMB-UHFFFAOYSA-N 0 1 227.311 2.386 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccn1C1CC1 ZINC001593747597 983357887 /nfs/dbraw/zinc/35/78/87/983357887.db2.gz ASUCLKMHIKNUKT-UHFFFAOYSA-N 0 1 236.315 2.120 20 0 BEADMN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1CCC(C)C ZINC001201630984 983359885 /nfs/dbraw/zinc/35/98/85/983359885.db2.gz KGSBWJDRTTXXLF-WOPDTQHZSA-N 0 1 225.332 2.058 20 0 BEADMN COc1cc2c(cn1)CC[N@@H+](CCC(C)C)C2 ZINC001201631026 983359908 /nfs/dbraw/zinc/35/99/08/983359908.db2.gz LFBQFEYFOWYKJM-UHFFFAOYSA-N 0 1 234.343 2.494 20 0 BEADMN CCCN1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001201637289 983365320 /nfs/dbraw/zinc/36/53/20/983365320.db2.gz SWWHYGHNBFGCAX-PHIMTYICSA-N 0 1 240.347 2.090 20 0 BEADMN C(=C/c1cc2c(nn1)CNC2)\Cc1ccccc1 ZINC001242140541 983371099 /nfs/dbraw/zinc/37/10/99/983371099.db2.gz KIIKHZDSFNHPGK-XBXARRHUSA-N 0 1 237.306 2.336 20 0 BEADMN Cn1ccc2ncnc(-c3ccc(F)cc3O)c21 ZINC001242216339 983409563 /nfs/dbraw/zinc/40/95/63/983409563.db2.gz QGTVFHSBEDMFGB-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN NC(=S)c1cccnc1-c1ccc(F)cc1O ZINC001242216954 983414404 /nfs/dbraw/zinc/41/44/04/983414404.db2.gz CVMMQJDRZBFMEW-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN Nc1cc(-c2ccc(F)cc2O)ncc1F ZINC001242217334 983415703 /nfs/dbraw/zinc/41/57/03/983415703.db2.gz GLNPTXXRJIPTCU-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN Cc1cccc(-c2cc3c(nn2)CNC3)c1F ZINC001242236969 983445502 /nfs/dbraw/zinc/44/55/02/983445502.db2.gz NKVYHSMRALPJAI-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCCCCCN1CC(N2CC[C@H](F)C2)C1 ZINC001201754189 983455955 /nfs/dbraw/zinc/45/59/55/983455955.db2.gz QKGHUTPZOPZSEZ-LBPRGKRZSA-N 0 1 228.355 2.295 20 0 BEADMN NCc1ncc(-c2ccc3cnccc3c2)cn1 ZINC001242245699 983458123 /nfs/dbraw/zinc/45/81/23/983458123.db2.gz NQUAYRNHWAVODV-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN CCCC=Cc1nc(NC(C)=O)nc2nc[nH]c21 ZINC001242251983 983469924 /nfs/dbraw/zinc/46/99/24/983469924.db2.gz WULGYAMSUYKIKK-AATRIKPKSA-N 0 1 245.286 2.076 20 0 BEADMN CCCCCN(C)Cc1cc(C)nn1C ZINC001201735098 983471602 /nfs/dbraw/zinc/47/16/02/983471602.db2.gz PIFQYPVOKRQQLO-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN Cn1ccc2c1ncnc2-c1cccc(F)c1O ZINC001242348119 983608890 /nfs/dbraw/zinc/60/88/90/983608890.db2.gz LYIPIRANDFCEIS-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Nc1cc(-c2cccc(F)c2O)ncc1F ZINC001242348960 983611658 /nfs/dbraw/zinc/61/16/58/983611658.db2.gz BKTNXRWNJXGFIK-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CC[N@@H+](C/C(C)=C/C(=O)[O-])Cc1occc1C ZINC001596230039 983623754 /nfs/dbraw/zinc/62/37/54/983623754.db2.gz QKQDTBRGCVJOOK-JXMROGBWSA-N 0 1 237.299 2.441 20 0 BEADMN Oc1c(Cl)cccc1-c1cncc2nncn21 ZINC001242367215 983660711 /nfs/dbraw/zinc/66/07/11/983660711.db2.gz IUAPPBKVQFWYNZ-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN FC(F)(F)CCCN1CC[C@]12CCOC2 ZINC001202443942 983661382 /nfs/dbraw/zinc/66/13/82/983661382.db2.gz ZTNBIFAKZNNCCW-SECBINFHSA-N 0 1 223.238 2.194 20 0 BEADMN FC(F)(F)CCCN1CC2(CSC2)C1 ZINC001202443247 983664168 /nfs/dbraw/zinc/66/41/68/983664168.db2.gz PQYXUIUDIFBUFX-UHFFFAOYSA-N 0 1 225.279 2.378 20 0 BEADMN Cc1cc(-c2nc3nc[nH]c3c(C)n2)c(C)o1 ZINC001242403013 983685458 /nfs/dbraw/zinc/68/54/58/983685458.db2.gz JFTPOPSLAKYTCS-UHFFFAOYSA-N 0 1 228.255 2.490 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cccc(C)c2O)[nH]1 ZINC001153012489 983688805 /nfs/dbraw/zinc/68/88/05/983688805.db2.gz QXZDNSWNXCZRAS-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CO[C@@H](C)C1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC001137048849 983698512 /nfs/dbraw/zinc/69/85/12/983698512.db2.gz LQNNKSFCFNDIDP-JTQLQIEISA-N 0 1 245.326 2.030 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccn(C)n1 ZINC001242459851 983775011 /nfs/dbraw/zinc/77/50/11/983775011.db2.gz MAWUSGCDKBDTOV-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Nc1cncc(-c2nccc3[nH]ccc32)c1 ZINC001242498312 983819074 /nfs/dbraw/zinc/81/90/74/983819074.db2.gz PNURYCGXFTVBNN-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cncc(N)c1 ZINC001242500726 983824757 /nfs/dbraw/zinc/82/47/57/983824757.db2.gz PTICBXJMZSHHOX-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN OCc1ccc(-c2nccc3[nH]cnc32)cc1F ZINC001242529670 983851388 /nfs/dbraw/zinc/85/13/88/983851388.db2.gz UGKQBQGUTMTJLO-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(-c2[nH]ccc3ncnc2-3)cc1F ZINC001242529670 983851391 /nfs/dbraw/zinc/85/13/91/983851391.db2.gz UGKQBQGUTMTJLO-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1c(N)ccnc1-c1ccnn1C(C)C ZINC001242554710 983877009 /nfs/dbraw/zinc/87/70/09/983877009.db2.gz HSZQBBXBQMOBTO-UHFFFAOYSA-N 0 1 216.288 2.417 20 0 BEADMN CC(C)n1nccc1-c1cncc2nc[nH]c21 ZINC001242556504 983877783 /nfs/dbraw/zinc/87/77/83/983877783.db2.gz KZZTUMIUGQUHFC-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CCC[C@H](O)CNc1cccc2[nH]ncc21 ZINC001252791180 983889098 /nfs/dbraw/zinc/88/90/98/983889098.db2.gz OUPKTZPOUBWRNF-VIFPVBQESA-N 0 1 219.288 2.136 20 0 BEADMN CC(C)(C)[C@H]1CNC(=O)CN1CCCC1CC1 ZINC001473828260 983894473 /nfs/dbraw/zinc/89/44/73/983894473.db2.gz XRCYLHYFDUMOMH-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN c1nc2cncc(-c3cccc4c3OCO4)c2[nH]1 ZINC001242587056 983899385 /nfs/dbraw/zinc/89/93/85/983899385.db2.gz BBGAUPSJQUVYDA-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cn1 ZINC001137077970 983916330 /nfs/dbraw/zinc/91/63/30/983916330.db2.gz REZGBBSLQJWFHO-RWMBFGLXSA-N 0 1 237.322 2.396 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnn(C(C)C)c2)C1 ZINC001137081832 983924563 /nfs/dbraw/zinc/92/45/63/983924563.db2.gz RWNPUWUVILHKTG-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CN(C)c1ccnc(-c2c[nH]c(=O)c(F)c2)c1 ZINC001242613695 983984358 /nfs/dbraw/zinc/98/43/58/983984358.db2.gz UUIXRQJCTNIKIK-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CC[N@H+]1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001596421672 984058792 /nfs/dbraw/zinc/05/87/92/984058792.db2.gz OGBVHWXVNPTJTA-QMMMGPOBSA-N 0 1 240.328 2.307 20 0 BEADMN Cc1nc([C@H]2CCCN(Cc3ccc[nH]3)C2)no1 ZINC001204003486 984100473 /nfs/dbraw/zinc/10/04/73/984100473.db2.gz FBILISUIIPYMDY-NSHDSACASA-N 0 1 246.314 2.086 20 0 BEADMN Nc1ccncc1-c1nc(-c2ccccc2)no1 ZINC000339356754 984108446 /nfs/dbraw/zinc/10/84/46/984108446.db2.gz HSQBPMGVUMMAAN-UHFFFAOYSA-N 0 1 238.250 2.211 20 0 BEADMN Oc1ccc(F)c(-c2cncc3nc[nH]c32)c1 ZINC001242762755 984128859 /nfs/dbraw/zinc/12/88/59/984128859.db2.gz JLTFVWYCQMFAMK-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1ccc(F)c(-c2cncc3[nH]cnc32)c1 ZINC001242762755 984128868 /nfs/dbraw/zinc/12/88/68/984128868.db2.gz JLTFVWYCQMFAMK-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN FC(F)(F)[C@@H]1CCN(Cc2ccc[nH]2)C1 ZINC001204007109 984143971 /nfs/dbraw/zinc/14/39/71/984143971.db2.gz AZGYDAUTWBTWAE-MRVPVSSYSA-N 0 1 218.222 2.399 20 0 BEADMN F[C@H]1CN(CC2CCC2)CCC1(F)F ZINC001202706100 984160013 /nfs/dbraw/zinc/16/00/13/984160013.db2.gz PFBNGQYWDPCCDC-VIFPVBQESA-N 0 1 207.239 2.466 20 0 BEADMN FC(F)C1CCN(Cc2ccc[nH]2)CC1 ZINC001204008591 984161598 /nfs/dbraw/zinc/16/15/98/984161598.db2.gz JSJJVGPLHIKZJG-UHFFFAOYSA-N 0 1 214.259 2.492 20 0 BEADMN C=C(c1ccccc1)c1ncc2c(n1)CNCC2 ZINC001242889107 984224908 /nfs/dbraw/zinc/22/49/08/984224908.db2.gz HIPDOVVYKZWQFO-UHFFFAOYSA-N 0 1 237.306 2.184 20 0 BEADMN C=C(c1ccccc1)c1cc2c(nn1)CNC2 ZINC001242891829 984231164 /nfs/dbraw/zinc/23/11/64/984231164.db2.gz ZDGREKIDSLUBJQ-UHFFFAOYSA-N 0 1 223.279 2.141 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1O ZINC001435092194 984279890 /nfs/dbraw/zinc/27/98/90/984279890.db2.gz QSKBMTJHXICSRW-LDYMZIIASA-N 0 1 237.274 2.450 20 0 BEADMN COCc1cncc(-c2nccc3[nH]cnc32)c1 ZINC001242952543 984315778 /nfs/dbraw/zinc/31/57/78/984315778.db2.gz VGLKADSKLWMZSZ-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN Nc1ccc(-c2cccc3[nH]nnc32)c(F)c1 ZINC001240528294 984317886 /nfs/dbraw/zinc/31/78/86/984317886.db2.gz UYBSPDZPMCKIDX-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1c(N)ccnc1-c1cnn2ccccc12 ZINC001242961960 984325038 /nfs/dbraw/zinc/32/50/38/984325038.db2.gz LVDHVXREKSPCPO-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN Cc1nc(-c2ccc(F)c(O)c2)nc2nc[nH]c21 ZINC001243049416 984403667 /nfs/dbraw/zinc/40/36/67/984403667.db2.gz SXVAAGZKFZSGGM-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Cc1cc2[nH]ccc2c(-c2cncn2C)n1 ZINC001243065737 984473708 /nfs/dbraw/zinc/47/37/08/984473708.db2.gz TYFIABQQRVVTMT-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COc1cnccc1-c1ccc(CN(C)C)cn1 ZINC001243073332 984508001 /nfs/dbraw/zinc/50/80/01/984508001.db2.gz NIXXZKMHRZNWCL-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN COc1cccc(-c2ccc3cncn3c2)n1 ZINC001243095898 984524533 /nfs/dbraw/zinc/52/45/33/984524533.db2.gz FCXKPLJLBPXWJA-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC001443770175 984540813 /nfs/dbraw/zinc/54/08/13/984540813.db2.gz ROGWRHRVWZUYSQ-VIFPVBQESA-N 0 1 243.310 2.339 20 0 BEADMN c1c2ccccc2[nH]c1-c1ncc2c(n1)CNC2 ZINC001243103482 984543873 /nfs/dbraw/zinc/54/38/73/984543873.db2.gz KFSFNVONXMYNAL-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN C[C@H](Oc1nc[nH]c(=O)c1Cl)C1CC1 ZINC000718999987 984583050 /nfs/dbraw/zinc/58/30/50/984583050.db2.gz IFVAUPAIOVNVAU-YFKPBYRVSA-N 0 1 214.652 2.013 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(O)cc1C ZINC001446467369 984656212 /nfs/dbraw/zinc/65/62/12/984656212.db2.gz PVLAVOBFODAYBW-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCCc2occc2C1 ZINC001588949107 984671503 /nfs/dbraw/zinc/67/15/03/984671503.db2.gz OUNMUVJVLBLEHD-YFHOEESVSA-N 0 1 235.283 2.059 20 0 BEADMN C[C@@H](C(=O)Nc1c[nH]nn1)[C@@H](C)C(C)(C)C ZINC001447929241 984801222 /nfs/dbraw/zinc/80/12/22/984801222.db2.gz WWGCTOZVOHOVJU-HTQZYQBOSA-N 0 1 224.308 2.062 20 0 BEADMN COc1cc(-c2ccc(O)c(F)c2F)ncn1 ZINC001243340922 984834739 /nfs/dbraw/zinc/83/47/39/984834739.db2.gz YTXLWPHKRPUSGM-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN COC1CN([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256807142 984839134 /nfs/dbraw/zinc/83/91/34/984839134.db2.gz NYLMPLKFRKIXOE-ZFWWWQNUSA-N 0 1 247.338 2.237 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001449840250 984850935 /nfs/dbraw/zinc/85/09/35/984850935.db2.gz CZFXXENNRNUBCG-SECBINFHSA-N 0 1 239.294 2.414 20 0 BEADMN CC(C)=C[C@@H]1[C@H](C(=O)OCc2nnc[nH]2)C1(C)C ZINC001327114562 984853492 /nfs/dbraw/zinc/85/34/92/984853492.db2.gz DIPYWMUBVBIFHJ-MWLCHTKSSA-N 0 1 249.314 2.086 20 0 BEADMN C[C@H]1C[C@H](NCc2cocn2)CCS1 ZINC000885998942 984860646 /nfs/dbraw/zinc/86/06/46/984860646.db2.gz NMNCBLUWXAAULX-DTWKUNHWSA-N 0 1 212.318 2.048 20 0 BEADMN CCC[C@@H](CC)n1nc(COC)c2c1CNC2 ZINC001257260146 984860682 /nfs/dbraw/zinc/86/06/82/984860682.db2.gz PHGXOJOQQRAMOW-SNVBAGLBSA-N 0 1 237.347 2.384 20 0 BEADMN CCC(CC)N1CCN(C(C)(C)C)C(=O)C1 ZINC001257301169 984874849 /nfs/dbraw/zinc/87/48/49/984874849.db2.gz SNRNYVFMXRJPKF-UHFFFAOYSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1cc(-c2nccc3[nH]cnc32)cnc1F ZINC001243393589 984880440 /nfs/dbraw/zinc/88/04/40/984880440.db2.gz JMJPGXDXNMLODV-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2[nH]ccc3ncnc2-3)cnc1F ZINC001243393589 984880442 /nfs/dbraw/zinc/88/04/42/984880442.db2.gz JMJPGXDXNMLODV-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCC[C@@H](C)NCc1ncc(Cl)cn1 ZINC001257308436 984881784 /nfs/dbraw/zinc/88/17/84/984881784.db2.gz SXBPEAWKPIPYQO-MRVPVSSYSA-N 0 1 213.712 2.408 20 0 BEADMN CCC[C@@H](C)N1CCc2c(ncnc2OC)C1 ZINC001257319708 984893831 /nfs/dbraw/zinc/89/38/31/984893831.db2.gz AARHLVUUGIBVDQ-SNVBAGLBSA-N 0 1 235.331 2.032 20 0 BEADMN O=c1cc(-c2cccc3cncn32)cc[nH]1 ZINC001243429245 984934440 /nfs/dbraw/zinc/93/44/40/984934440.db2.gz UVMIXTBQKWNQLI-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN CCCCCC[C@H](C)N(C)CC(=O)OC ZINC001257368918 984938358 /nfs/dbraw/zinc/93/83/58/984938358.db2.gz QNSLRBPKARLECT-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN Nc1cc(-c2cc3[nH]nnc3cc2F)ccc1F ZINC001243456679 984970052 /nfs/dbraw/zinc/97/00/52/984970052.db2.gz YODCZTTZQSKTET-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Cc1cc(-c2ccc(CO)nc2)cc2nc[nH]c21 ZINC001243466120 984985246 /nfs/dbraw/zinc/98/52/46/984985246.db2.gz RONZXHLZJRHTOV-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CCC(=O)N(C)C[C@H]2CC2(C)C)n[nH]1 ZINC001454066088 985016654 /nfs/dbraw/zinc/01/66/54/985016654.db2.gz UYVRXQKMQZNYOW-LLVKDONJSA-N 0 1 249.358 2.155 20 0 BEADMN CC[C@H](C)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001257441204 985020107 /nfs/dbraw/zinc/02/01/07/985020107.db2.gz XXHQTOXVAGJDMR-FZMZJTMJSA-N 0 1 244.338 2.298 20 0 BEADMN CC(=O)CC[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC001589035548 985086139 /nfs/dbraw/zinc/08/61/39/985086139.db2.gz VEVVQBUXNLKYDL-UHFFFAOYSA-N 0 1 243.347 2.034 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000686457926 985120091 /nfs/dbraw/zinc/12/00/91/985120091.db2.gz FAMGEBQGRXYSEB-IMSYWVGJSA-N 0 1 239.319 2.006 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000686457928 985120198 /nfs/dbraw/zinc/12/01/98/985120198.db2.gz FAMGEBQGRXYSEB-KATARQTJSA-N 0 1 239.319 2.006 20 0 BEADMN CSc1ccc(-c2cnc(CN)nc2)c(C)n1 ZINC001243579746 985135207 /nfs/dbraw/zinc/13/52/07/985135207.db2.gz BKLSHDMXVNAKDB-UHFFFAOYSA-N 0 1 246.339 2.028 20 0 BEADMN CC[C@@](C)(OC)C(=O)Nc1ccc2cncn2c1 ZINC001456450729 985142303 /nfs/dbraw/zinc/14/23/03/985142303.db2.gz XDIYJQMLXHFIES-CYBMUJFWSA-N 0 1 247.298 2.088 20 0 BEADMN CCCCC[C@H](C)N1CC(=O)N2CCC[C@H]2C1 ZINC001257514101 985144021 /nfs/dbraw/zinc/14/40/21/985144021.db2.gz AZALONOOFDBNRF-STQMWFEESA-N 0 1 238.375 2.262 20 0 BEADMN CCCCC[C@@H](C)N(C)CC(=O)OCC ZINC001257511202 985144548 /nfs/dbraw/zinc/14/45/48/985144548.db2.gz HNEFACYLTYCTLK-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001589445058 985184779 /nfs/dbraw/zinc/18/47/79/985184779.db2.gz ILYCGNZSXYBMBJ-YPMHNXCESA-N 0 1 248.326 2.124 20 0 BEADMN CCCCC[C@@H](C)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001257516714 985189636 /nfs/dbraw/zinc/18/96/36/985189636.db2.gz CPYPJSBRCPGWJL-UPJWGTAASA-N 0 1 239.359 2.103 20 0 BEADMN CO[C@@H]1CC[C@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000687189637 985256043 /nfs/dbraw/zinc/25/60/43/985256043.db2.gz OMNNZIOSFIGRBM-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H](Nc1nc2ccc(F)cc2o1)c1nnc[nH]1 ZINC001458304619 985285327 /nfs/dbraw/zinc/28/53/27/985285327.db2.gz PAKLCQIXNBYIOC-ZCFIWIBFSA-N 0 1 247.233 2.258 20 0 BEADMN [O-]c1cccnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001138390694 985301184 /nfs/dbraw/zinc/30/11/84/985301184.db2.gz FRLQEVSELDLBIE-RYUDHWBXSA-N 0 1 232.327 2.409 20 0 BEADMN Cc1cc(F)ncc1-c1cc2[nH]cnc2cn1 ZINC001243763330 985306271 /nfs/dbraw/zinc/30/62/71/985306271.db2.gz VWRJAKRNLMISQL-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC(C)C1(C[N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000687534323 985307480 /nfs/dbraw/zinc/30/74/80/985307480.db2.gz KJVWRZAQTKEVPY-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc(-c2ccnc(F)c2C)nc2nc[nH]c21 ZINC001243777757 985318184 /nfs/dbraw/zinc/31/81/84/985318184.db2.gz XRRJHUXDKKANAP-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN Cc1nonc1CN(CC(C)C)C(C)C ZINC000687796933 985389380 /nfs/dbraw/zinc/38/93/80/985389380.db2.gz SINVENSRULGJKF-UHFFFAOYSA-N 0 1 211.309 2.244 20 0 BEADMN CO[C@@H]1CC=C(c2nc(F)nc3nc[nH]c32)CC1 ZINC001243808367 985391762 /nfs/dbraw/zinc/39/17/62/985391762.db2.gz MKAYFPVMUKJBIT-MRVPVSSYSA-N 0 1 248.261 2.026 20 0 BEADMN CO[C@@H]1CC=C(c2nc3nc[nH]c3c(C)n2)CC1 ZINC001243808532 985394355 /nfs/dbraw/zinc/39/43/55/985394355.db2.gz QRRDAFYJCRGELO-SNVBAGLBSA-N 0 1 244.298 2.195 20 0 BEADMN CC(C)S(=O)(=O)CCN(C)[C@@H](C)C(C)(C)C ZINC000687807283 985399138 /nfs/dbraw/zinc/39/91/38/985399138.db2.gz YAEOHNFQIQFFDD-NSHDSACASA-N 0 1 249.420 2.176 20 0 BEADMN CCn1cc(-c2ccc3cncn3c2)ccc1=O ZINC001243838158 985445299 /nfs/dbraw/zinc/44/52/99/985445299.db2.gz UTFSFLOIGBCZGI-UHFFFAOYSA-N 0 1 239.278 2.183 20 0 BEADMN CCn1cc(-c2cccn3cncc23)ccc1=O ZINC001243835269 985449466 /nfs/dbraw/zinc/44/94/66/985449466.db2.gz FNSPKCGOXAOCCB-UHFFFAOYSA-N 0 1 239.278 2.183 20 0 BEADMN OCCc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001243847440 985467536 /nfs/dbraw/zinc/46/75/36/985467536.db2.gz YAHLBPLKFVVGLP-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN OCCc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001243847440 985467551 /nfs/dbraw/zinc/46/75/51/985467551.db2.gz YAHLBPLKFVVGLP-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN OCCc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001243847640 985472449 /nfs/dbraw/zinc/47/24/49/985472449.db2.gz QLGXPJHPGCWAMQ-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN OCCc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001243847640 985472496 /nfs/dbraw/zinc/47/24/96/985472496.db2.gz QLGXPJHPGCWAMQ-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN C[C@@H](Cc1ccco1)NCC(=O)c1cccnc1 ZINC001258178187 985570429 /nfs/dbraw/zinc/57/04/29/985570429.db2.gz ILXWNFLWWZRUST-NSHDSACASA-N 0 1 244.294 2.078 20 0 BEADMN CSCC[C@H](C)NCc1ncc(Cl)cn1 ZINC001258204507 985620135 /nfs/dbraw/zinc/62/01/35/985620135.db2.gz WQXUEKUHZXSMQR-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN CSCC[C@H](C)NCc1nccnc1Cl ZINC001258197912 985591328 /nfs/dbraw/zinc/59/13/28/985591328.db2.gz BEHYRJOVVQTYRC-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN c1cn2cc(-c3cccc4nc[nH]c43)cnc2n1 ZINC001243933243 985607396 /nfs/dbraw/zinc/60/73/96/985607396.db2.gz UTNXYVYTCTWLHS-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1ncnc(C)c1-c1cccc2nc[nH]c21 ZINC001243932658 985607598 /nfs/dbraw/zinc/60/75/98/985607598.db2.gz KHFQGRWHOZDHQU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Nc1cncc(F)c1-c1cccc2nc[nH]c21 ZINC001243933331 985608562 /nfs/dbraw/zinc/60/85/62/985608562.db2.gz VQZWSIPVWVPFSB-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN c1nc2cccc(-c3ccnc4c3CCN4)c2[nH]1 ZINC001243935177 985618041 /nfs/dbraw/zinc/61/80/41/985618041.db2.gz SMKUESGMGGHIPI-UHFFFAOYSA-N 0 1 236.278 2.236 20 0 BEADMN c1cc2cncnc2c(C2=CNCCC2)c1 ZINC001243949303 985634275 /nfs/dbraw/zinc/63/42/75/985634275.db2.gz FTNQIOUHKZHTRM-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN COc1cnc(C)c(C2=CNCCC2)c1 ZINC001243949370 985636039 /nfs/dbraw/zinc/63/60/39/985636039.db2.gz CSUPDVIEQCXZGR-UHFFFAOYSA-N 0 1 204.273 2.123 20 0 BEADMN CCCN(CC(=O)OC)CC12CCC(CC1)C2 ZINC001459964998 985677067 /nfs/dbraw/zinc/67/70/67/985677067.db2.gz OBTDWSZJYZZAPP-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN COc1ncncc1-c1ccc2[nH]c(C)nc2c1 ZINC001243966320 985679642 /nfs/dbraw/zinc/67/96/42/985679642.db2.gz GNNCMAZFAFGSSF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[C@@H](CN1CC(=O)N(C)C[C@H]1C)CC(C)(C)C ZINC001459971771 985685861 /nfs/dbraw/zinc/68/58/61/985685861.db2.gz NPUDZDKPVIIMNN-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](CN1CC(=O)N(C)C[C@@H]1C)CC(C)(C)C ZINC001459971766 985686393 /nfs/dbraw/zinc/68/63/93/985686393.db2.gz NPUDZDKPVIIMNN-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H]1CCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC001459985775 985696307 /nfs/dbraw/zinc/69/63/07/985696307.db2.gz OIGDYJCOOVGPAL-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CC(=O)[C@H]1CN(C2CCCCCCC2)CCO1 ZINC001258240755 985699357 /nfs/dbraw/zinc/69/93/57/985699357.db2.gz CHUOVEVNJRLTLC-CQSZACIVSA-N 0 1 239.359 2.389 20 0 BEADMN Cc1nc2cc(-c3nnc(C)c(C)n3)ccc2[nH]1 ZINC001243974698 985703681 /nfs/dbraw/zinc/70/36/81/985703681.db2.gz VGELEURMBDCRDN-UHFFFAOYSA-N 0 1 239.282 2.340 20 0 BEADMN CCOC[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)CC ZINC001596885388 985788399 /nfs/dbraw/zinc/78/83/99/985788399.db2.gz XKTGOQQUWGASLD-NSHDSACASA-N 0 1 245.363 2.234 20 0 BEADMN CO[C@H]1CC=C(Nc2nccnc2N(C)C)CC1 ZINC001212873686 985825791 /nfs/dbraw/zinc/82/57/91/985825791.db2.gz RSPKGIMEEMAPBE-NSHDSACASA-N 0 1 248.330 2.037 20 0 BEADMN COC(=O)CC[C@@H](C)N[C@H](C)c1cscn1 ZINC001258351547 985828476 /nfs/dbraw/zinc/82/84/76/985828476.db2.gz SBELFXJJFIKFQP-RKDXNWHRSA-N 0 1 242.344 2.135 20 0 BEADMN Cc1ccc2c(c1)CN(CC1=NOCC1)CC2 ZINC001460367290 985843121 /nfs/dbraw/zinc/84/31/21/985843121.db2.gz WAKUTSCIBFCHEG-UHFFFAOYSA-N 0 1 230.311 2.129 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC001599963709 985851352 /nfs/dbraw/zinc/85/13/52/985851352.db2.gz UDDRPVZCFUMYDB-VIFPVBQESA-N 0 1 236.315 2.253 20 0 BEADMN COCc1ccc(C)c(-c2cnc(CN)nc2)c1 ZINC001244170610 985875803 /nfs/dbraw/zinc/87/58/03/985875803.db2.gz KIXSXYAAPPPUQB-UHFFFAOYSA-N 0 1 243.310 2.057 20 0 BEADMN C[C@H](CC1CC1)NCc1ncc(Cl)cn1 ZINC001258450863 985894467 /nfs/dbraw/zinc/89/44/67/985894467.db2.gz YUIZUUVHAHJABE-MRVPVSSYSA-N 0 1 225.723 2.408 20 0 BEADMN CC(C)=CCCN1CC(=O)NC[C@H]1C(C)(C)C ZINC001460832157 985906367 /nfs/dbraw/zinc/90/63/67/985906367.db2.gz POYUKQHFKHHKQQ-LBPRGKRZSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000300246548 985941052 /nfs/dbraw/zinc/94/10/52/985941052.db2.gz NHPNOZZQBAESKE-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1cc(CN2CCCC[C@]23CCOC3)on1 ZINC001460961923 985966094 /nfs/dbraw/zinc/96/60/94/985966094.db2.gz VGTGYOCBHVMZJK-CYBMUJFWSA-N 0 1 236.315 2.128 20 0 BEADMN Nc1ccnc(-c2cc(F)ccc2N)c1 ZINC001244393588 985992541 /nfs/dbraw/zinc/99/25/41/985992541.db2.gz GXAFODDXTCWBFP-UHFFFAOYSA-N 0 1 203.220 2.052 20 0 BEADMN C[C@H]1C[C@H](N2CCn3nncc3C2)CC(C)(C)C1 ZINC001258701211 986029181 /nfs/dbraw/zinc/02/91/81/986029181.db2.gz QCQLTXYVIBLHDK-RYUDHWBXSA-N 0 1 248.374 2.309 20 0 BEADMN CSc1ccccc1CN1CC2(CCN2C)C1 ZINC001276340736 986035948 /nfs/dbraw/zinc/03/59/48/986035948.db2.gz NBYZPSNZWIEOBB-UHFFFAOYSA-N 0 1 248.395 2.298 20 0 BEADMN Cc1nc(-c2cc(F)ccc2N)nc2nc[nH]c21 ZINC001244394474 986041212 /nfs/dbraw/zinc/04/12/12/986041212.db2.gz SYFOYNDNJKVGMT-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN Cc1ccc(CNCC2(C(F)(F)F)CC2)nn1 ZINC001461498496 986070053 /nfs/dbraw/zinc/07/00/53/986070053.db2.gz WWMKJKZNJXFIGB-UHFFFAOYSA-N 0 1 245.248 2.217 20 0 BEADMN CC[C@@H](CNCc1c(Cl)ncn1CC)OC ZINC001461546444 986080179 /nfs/dbraw/zinc/08/01/79/986080179.db2.gz GRXGQCALOWYXLL-VIFPVBQESA-N 0 1 245.754 2.071 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)c1ccccc1 ZINC000097813937 986080694 /nfs/dbraw/zinc/08/06/94/986080694.db2.gz ZSUIQWIJVNAZTH-SCRDCRAPSA-N 0 1 246.354 2.476 20 0 BEADMN C[C@H]1C[N@@H+](CCCCC(=O)[O-])CCC1(F)F ZINC001594527626 986082161 /nfs/dbraw/zinc/08/21/61/986082161.db2.gz HBWZDOKCLJNOIQ-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN Cc1ccc2[nH]c(NCc3cc[nH]n3)nc2c1 ZINC001461710096 986117717 /nfs/dbraw/zinc/11/77/17/986117717.db2.gz OTGMRJDPDXHKPZ-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN NC(=O)c1cccc(-c2ccc(Cl)cc2O)n1 ZINC001244465958 986124962 /nfs/dbraw/zinc/12/49/62/986124962.db2.gz BEWMPXSWBQIZCY-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN NC(=O)c1ccc(-c2ccc(Cl)cc2O)nc1 ZINC001244466225 986125713 /nfs/dbraw/zinc/12/57/13/986125713.db2.gz ONQUKOQQGWLSRT-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC/C=C\C1CC1 ZINC001579793630 986227610 /nfs/dbraw/zinc/22/76/10/986227610.db2.gz KIAPUIHGFVRNIA-SDQPKGBYSA-N 0 1 244.338 2.077 20 0 BEADMN CCn1ccc(CN(C)CCC(C)C)n1 ZINC001461939932 986234172 /nfs/dbraw/zinc/23/41/72/986234172.db2.gz WNQWEKYVGUGWTE-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN Cc1cc(CO)ccc1-c1[nH]ccc2ncnc1-2 ZINC001244578539 986258018 /nfs/dbraw/zinc/25/80/18/986258018.db2.gz AOHUIJDLWQOEJK-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CO)ccc1-c1nccc2[nH]cnc21 ZINC001244578539 986258028 /nfs/dbraw/zinc/25/80/28/986258028.db2.gz AOHUIJDLWQOEJK-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Nc1ccnc(-c2cccc(Cl)c2CO)c1 ZINC001244573332 986259325 /nfs/dbraw/zinc/25/93/25/986259325.db2.gz CDODVSMWIBREQG-UHFFFAOYSA-N 0 1 234.686 2.477 20 0 BEADMN CC(C)C1CCC(N2CCNC(=O)[C@@H]2C)CC1 ZINC001258803690 986262729 /nfs/dbraw/zinc/26/27/29/986262729.db2.gz HCJHEOYFZMZWKP-HIFPTAJRSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CO)ccc1-c1cccc2[nH]nnc21 ZINC001244581056 986267718 /nfs/dbraw/zinc/26/77/18/986267718.db2.gz INDQYKUGLCTDJE-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN C[C@H]1CCC[C@H](N2CCc3ncn(C)c3C2)C1 ZINC001258825897 986286716 /nfs/dbraw/zinc/28/67/16/986286716.db2.gz ANTUDIBDASNNCD-RYUDHWBXSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1cc(CO)cc(C)c1-c1cc(N)ccn1 ZINC001244688203 986304845 /nfs/dbraw/zinc/30/48/45/986304845.db2.gz MGUXVSSRHKMGAJ-UHFFFAOYSA-N 0 1 228.295 2.440 20 0 BEADMN CCn1ccc(CN(C)[C@@H](C)C2CC2)n1 ZINC001462248757 986326461 /nfs/dbraw/zinc/32/64/61/986326461.db2.gz MBAZEGOAWNMXKM-JTQLQIEISA-N 0 1 207.321 2.133 20 0 BEADMN COc1cc(NC[C@H](O)C(C)(C)C)cc(C)n1 ZINC001253718418 986337487 /nfs/dbraw/zinc/33/74/87/986337487.db2.gz MKCYPTUDRUHUDE-NSHDSACASA-N 0 1 238.331 2.218 20 0 BEADMN CCOC1CN(C[C@H](OC)C2CCCCC2)C1 ZINC001462316724 986349918 /nfs/dbraw/zinc/34/99/18/986349918.db2.gz QGPVKKUXSMXEFL-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1nnc(CNC[C@@]2(C)CC2(F)F)s1 ZINC000689168222 986367346 /nfs/dbraw/zinc/36/73/46/986367346.db2.gz VEOCHMYSCHVFMT-SECBINFHSA-N 0 1 247.314 2.235 20 0 BEADMN Cc1c(F)cncc1-c1nccc2[nH]cnc21 ZINC001244832085 986373822 /nfs/dbraw/zinc/37/38/22/986373822.db2.gz MXAFREIFVAGJCQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cccc2ncc(NC[C@@H](O)C(C)C)n21 ZINC001253757020 986384230 /nfs/dbraw/zinc/38/42/30/986384230.db2.gz GRWNNLLHOQLXHX-LLVKDONJSA-N 0 1 233.315 2.072 20 0 BEADMN CN(C)Cc1cccc(-c2ccnc(F)n2)c1F ZINC001244863122 986404744 /nfs/dbraw/zinc/40/47/44/986404744.db2.gz INTMAMSAKCLDAJ-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN CCCNC(=S)Nc1c(O)cc(F)cc1F ZINC001244874010 986409258 /nfs/dbraw/zinc/40/92/58/986409258.db2.gz CXMPYDZKRQIKKP-UHFFFAOYSA-N 0 1 246.282 2.367 20 0 BEADMN Cc1cnc(-c2ccc(CO)cc2F)cc1N ZINC001244907157 986444433 /nfs/dbraw/zinc/44/44/33/986444433.db2.gz CYZLQVRCZOMVRJ-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN Cc1cc(Cl)ncc1-c1ncc2c(n1)CNC2 ZINC001244914729 986467015 /nfs/dbraw/zinc/46/70/15/986467015.db2.gz XPFRJELIEZTBRP-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@H]1CCC[C@H]1O ZINC000689261706 986470741 /nfs/dbraw/zinc/47/07/41/986470741.db2.gz JFAPGDIVEOTXME-RKDXNWHRSA-N 0 1 238.158 2.398 20 0 BEADMN COc1cc(C)c(C)cc1-c1cnc(CN)nc1 ZINC001245022122 986599931 /nfs/dbraw/zinc/59/99/31/986599931.db2.gz DRORWZSMMIGSFT-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN Cc1c(CN2C[C@@H]3C[C@@H]3C2)nc2ccccn12 ZINC001137268389 986708065 /nfs/dbraw/zinc/70/80/65/986708065.db2.gz VHJDMAUSHILUAY-TXEJJXNPSA-N 0 1 227.311 2.094 20 0 BEADMN CC[C@H]1C[C@H](C)CN1C(=O)CCc1cc(C)[nH]n1 ZINC001465528172 986727858 /nfs/dbraw/zinc/72/78/58/986727858.db2.gz LRYMNHLPCXIVEW-GWCFXTLKSA-N 0 1 249.358 2.298 20 0 BEADMN C[C@@H](NC/C=C\C1CC1)c1cnccn1 ZINC000382178222 986743584 /nfs/dbraw/zinc/74/35/84/986743584.db2.gz YPBGPHWQNLRIQG-MXQLGCADSA-N 0 1 203.289 2.093 20 0 BEADMN CC(C)CC1(CNC(=O)c2[nH]ncc2F)CC1 ZINC001466020757 986761399 /nfs/dbraw/zinc/76/13/99/986761399.db2.gz RKWMTLRBMHELBC-UHFFFAOYSA-N 0 1 239.294 2.105 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)[nH]1 ZINC001137322493 986771742 /nfs/dbraw/zinc/77/17/42/986771742.db2.gz GSSALPRQZXTHIK-SDDRHHMPSA-N 0 1 222.307 2.421 20 0 BEADMN C/C=C(/C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC001466524666 986809416 /nfs/dbraw/zinc/80/94/16/986809416.db2.gz ZHQODLXOXQLSBJ-YWEYNIOJSA-N 0 1 233.267 2.500 20 0 BEADMN FC1(C2CC2)CN(Cc2[nH]nc3ccccc32)C1 ZINC001137344867 986809469 /nfs/dbraw/zinc/80/94/69/986809469.db2.gz HELCVFKHXPVAJL-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN O=C1CCCN(Cc2[nH]nc3ccccc32)CC1 ZINC001137346105 986813166 /nfs/dbraw/zinc/81/31/66/986813166.db2.gz KRAKMJQPFIGEBU-UHFFFAOYSA-N 0 1 243.310 2.118 20 0 BEADMN CO[C@H](C)C1CN(Cc2n[nH]c3ccccc32)C1 ZINC001137352480 986817615 /nfs/dbraw/zinc/81/76/15/986817615.db2.gz ZUOGKPNOUOQDBQ-SNVBAGLBSA-N 0 1 245.326 2.030 20 0 BEADMN CO[C@H](C)C1CN(Cc2[nH]nc3ccccc32)C1 ZINC001137352480 986817620 /nfs/dbraw/zinc/81/76/20/986817620.db2.gz ZUOGKPNOUOQDBQ-SNVBAGLBSA-N 0 1 245.326 2.030 20 0 BEADMN O=C(CCF)Nc1cc(F)cc(Cl)c1O ZINC001467350945 986848211 /nfs/dbraw/zinc/84/82/11/986848211.db2.gz CCBUIOHZGBDZBL-UHFFFAOYSA-N 0 1 235.617 2.483 20 0 BEADMN FCc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001245400801 986840480 /nfs/dbraw/zinc/84/04/80/986840480.db2.gz BRKWIHDYVGWJDL-UHFFFAOYSA-N 0 1 228.230 2.489 20 0 BEADMN Cc1cccc(C2(N[C@@H]3CCSC3)COC2)c1 ZINC001255271376 986878286 /nfs/dbraw/zinc/87/82/86/986878286.db2.gz WTAISEUJVUIUIH-CYBMUJFWSA-N 0 1 249.379 2.316 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)ccc1N ZINC001245500014 986879618 /nfs/dbraw/zinc/87/96/18/986879618.db2.gz DZALWAGREZMUCG-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)ccc1N ZINC001245500014 986879621 /nfs/dbraw/zinc/87/96/21/986879621.db2.gz DZALWAGREZMUCG-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnc(N)c(F)c3)c-2n1 ZINC001245519192 986897989 /nfs/dbraw/zinc/89/79/89/986897989.db2.gz IIIRWBWUWAWGGV-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1nc2c(cncc2-c2cnc(N)c(F)c2)[nH]1 ZINC001245519192 986897991 /nfs/dbraw/zinc/89/79/91/986897991.db2.gz IIIRWBWUWAWGGV-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]2C)c(OC)c1 ZINC001137449434 986906891 /nfs/dbraw/zinc/90/68/91/986906891.db2.gz WSXMJVWHRHXTEW-JTQLQIEISA-N 0 1 249.310 2.076 20 0 BEADMN Nc1ncc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001245566353 986963965 /nfs/dbraw/zinc/96/39/65/986963965.db2.gz LOJZRSCAUZHWIC-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN Nc1ncc(-c2ccc3nn[nH]c3c2)cc1Cl ZINC001245566353 986963982 /nfs/dbraw/zinc/96/39/82/986963982.db2.gz LOJZRSCAUZHWIC-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)CCc1cc(C)[nH]n1 ZINC001465528175 986977490 /nfs/dbraw/zinc/97/74/90/986977490.db2.gz LRYMNHLPCXIVEW-ZWNOBZJWSA-N 0 1 249.358 2.298 20 0 BEADMN Nc1ccc(-c2cc(O)c(F)c(F)c2F)nc1 ZINC001245634893 987006541 /nfs/dbraw/zinc/00/65/41/987006541.db2.gz PMZGFKFBTNFMBK-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN O=C(Cc1ccccc1)NOc1ccc(F)cc1 ZINC001469938589 987008228 /nfs/dbraw/zinc/00/82/28/987008228.db2.gz WVKJJTDAMRQIQN-UHFFFAOYSA-N 0 1 245.253 2.478 20 0 BEADMN COC[C@@H](C)NCc1ccc(C)c(F)c1F ZINC001255558596 987009370 /nfs/dbraw/zinc/00/93/70/987009370.db2.gz OQGMOKVDHIQDLU-SECBINFHSA-N 0 1 229.270 2.398 20 0 BEADMN Oc1cccc(F)c1-c1ncnc2[nH]ccc21 ZINC001245650392 987011183 /nfs/dbraw/zinc/01/11/83/987011183.db2.gz ASBPFIOGSYPYBJ-UHFFFAOYSA-N 0 1 229.214 2.421 20 0 BEADMN Oc1cc(-c2ccnc(F)n2)c(F)c(F)c1F ZINC001245634972 987012595 /nfs/dbraw/zinc/01/25/95/987012595.db2.gz OUFBNCCUEPKBDH-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Oc1cc(-c2cnc(F)cn2)c(F)c(F)c1F ZINC001245638413 987013336 /nfs/dbraw/zinc/01/33/36/987013336.db2.gz IIXYGXCHYNDHNU-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Nc1cc[nH+]c(-c2c([O-])cccc2F)c1 ZINC001245652022 987017086 /nfs/dbraw/zinc/01/70/86/987017086.db2.gz ZQGVTXQGSFMWMQ-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN Cc1nccc(-c2c(O)cccc2F)n1 ZINC001245651552 987021534 /nfs/dbraw/zinc/02/15/34/987021534.db2.gz DHDSRPNFUUKFAQ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN CC(=O)C(C)(C)N[C@H](C)CC(F)(F)F ZINC001255632062 987030727 /nfs/dbraw/zinc/03/07/27/987030727.db2.gz AFFMSCFIRWXOFO-ZCFIWIBFSA-N 0 1 211.227 2.285 20 0 BEADMN Cc1cnc(CN)n1[C@H](C)CC(F)(F)F ZINC001255637240 987038096 /nfs/dbraw/zinc/03/80/96/987038096.db2.gz GEVJAGIFTFYQEO-ZCFIWIBFSA-N 0 1 221.226 2.164 20 0 BEADMN C[C@H](CC(F)(F)F)N1C[C@H]2CC[C@@H](C1)C2=O ZINC001255655689 987047409 /nfs/dbraw/zinc/04/74/09/987047409.db2.gz MRBATJBBXFYEBE-HLTSFMKQSA-N 0 1 235.249 2.238 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2nn(C)cc2C1 ZINC001255658061 987050468 /nfs/dbraw/zinc/05/04/68/987050468.db2.gz OKGULSYUAQEPLA-QMMMGPOBSA-N 0 1 247.264 2.119 20 0 BEADMN c1ncn2c1cccc2-c1ccc2nncn2c1 ZINC001245661908 987054108 /nfs/dbraw/zinc/05/41/08/987054108.db2.gz XSVFWJZYUVFNGB-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@@H]2CCn3ccnc32)CS1 ZINC000689578815 987061953 /nfs/dbraw/zinc/06/19/53/987061953.db2.gz CNQSJDXVDAXJBR-GMTAPVOTSA-N 0 1 237.372 2.202 20 0 BEADMN Cc1cc(CCC(=O)NC[C@@]2(C)CC2(C)C)n[nH]1 ZINC001471619607 987096747 /nfs/dbraw/zinc/09/67/47/987096747.db2.gz LJIQMGFPKVRMQR-CQSZACIVSA-N 0 1 249.358 2.203 20 0 BEADMN c1cc2ncc(-c3ccc4cncn4c3)nc2[nH]1 ZINC001245893522 987101444 /nfs/dbraw/zinc/10/14/44/987101444.db2.gz CEOMOECPFKZYTN-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1ncnc(-c2ccc3cncn3c2)c1C ZINC001245896942 987120732 /nfs/dbraw/zinc/12/07/32/987120732.db2.gz VISLKMFQOBHMIQ-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN COc1cc(-c2ccc3cncn3c2)nc(C)n1 ZINC001245897015 987121796 /nfs/dbraw/zinc/12/17/96/987121796.db2.gz YTOHDAZIQHKHOH-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN CCOc1nccnc1-c1ccc2cncn2c1 ZINC001245899047 987128018 /nfs/dbraw/zinc/12/80/18/987128018.db2.gz ZHGFCVMCNCPXOP-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN c1cn2cc(-c3ccc4cncn4c3)cnc2n1 ZINC001245897994 987128973 /nfs/dbraw/zinc/12/89/73/987128973.db2.gz KGGIWHZXOBZITI-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Nc1cncc(F)c1-c1ccc2cncn2c1 ZINC001245898026 987129463 /nfs/dbraw/zinc/12/94/63/987129463.db2.gz LVMIAZLHXZHXAY-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN CCc1cc(=O)n(-c2cc(OC)ccc2F)[nH]1 ZINC001245917370 987147336 /nfs/dbraw/zinc/14/73/36/987147336.db2.gz HUJUZQBNLHYEJU-UHFFFAOYSA-N 0 1 236.246 2.288 20 0 BEADMN CC(C)c1cc(=O)n(Cc2cccc(O)c2)[nH]1 ZINC001245917534 987148800 /nfs/dbraw/zinc/14/88/00/987148800.db2.gz LRLSUOVNTNRSFE-UHFFFAOYSA-N 0 1 232.283 2.466 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CC[C@H](C)CC2)[nH]1 ZINC001472020091 987157762 /nfs/dbraw/zinc/15/77/62/987157762.db2.gz CBVAJBCQJRBAQE-XYPYZODXSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(=O)n([C@@H](C)C(F)(F)F)[nH]1 ZINC001245918603 987159786 /nfs/dbraw/zinc/15/97/86/987159786.db2.gz ZRRLENCKRIDMBK-YFKPBYRVSA-N 0 1 208.183 2.274 20 0 BEADMN Cc1cc(-n2[nH]c(CO)cc2=O)ccc1Cl ZINC001245924855 987173701 /nfs/dbraw/zinc/17/37/01/987173701.db2.gz GDDDTWLHSAORIU-UHFFFAOYSA-N 0 1 238.674 2.032 20 0 BEADMN CCCCc1cc(=O)n(C2CCOCC2)[nH]1 ZINC001245926951 987178514 /nfs/dbraw/zinc/17/85/14/987178514.db2.gz OOZUXNBWQYBXSA-UHFFFAOYSA-N 0 1 224.304 2.283 20 0 BEADMN CC(C)(C)c1cc(=O)n(Cc2cccnc2)[nH]1 ZINC001245930283 987192563 /nfs/dbraw/zinc/19/25/63/987192563.db2.gz YKJYCQFCQYRZKQ-UHFFFAOYSA-N 0 1 231.299 2.330 20 0 BEADMN CCn1[nH]c(Cc2ccccc2F)cc1=O ZINC001245935966 987197491 /nfs/dbraw/zinc/19/74/91/987197491.db2.gz QXESRMNUQXCWCZ-UHFFFAOYSA-N 0 1 220.247 2.339 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCCC(=O)[C@@H](C)C1 ZINC001256409370 987208590 /nfs/dbraw/zinc/20/85/90/987208590.db2.gz COAJOVSACFGSDO-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN CCC(CC)Cn1[nH]c(CCOC)cc1=O ZINC001245940230 987212547 /nfs/dbraw/zinc/21/25/47/987212547.db2.gz ULZRSWYPQDJYLF-UHFFFAOYSA-N 0 1 226.320 2.214 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@@H](C)Cc1ccccn1 ZINC001256421177 987219099 /nfs/dbraw/zinc/21/90/99/987219099.db2.gz IMDUPXCYCVERFR-WFASDCNBSA-N 0 1 246.354 2.456 20 0 BEADMN CCN1N=C(c2ccc3c(c2)OCCO3)CC1=O ZINC001245944841 987219263 /nfs/dbraw/zinc/21/92/63/987219263.db2.gz QJYNAIQDDCHDKZ-UHFFFAOYSA-N 0 1 246.266 2.047 20 0 BEADMN O=c1cc(C2CCOCC2)[nH]n1-c1ccccc1 ZINC001245942180 987222034 /nfs/dbraw/zinc/22/20/34/987222034.db2.gz IMBRGWPOXPSYOZ-UHFFFAOYSA-N 0 1 244.294 2.472 20 0 BEADMN CC(C)[C@H]1COCCN1[C@H](C)Cc1ccccn1 ZINC001256423172 987222403 /nfs/dbraw/zinc/22/24/03/987222403.db2.gz ZQTYICRVHQZHNX-UKRRQHHQSA-N 0 1 248.370 2.369 20 0 BEADMN CC[C@H]1COCCN1[C@H](C)Cc1ccccn1 ZINC001256422771 987226869 /nfs/dbraw/zinc/22/68/69/987226869.db2.gz WIBKFYHWUWJLJB-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H](C)OC[C@H]1C ZINC001256427723 987226937 /nfs/dbraw/zinc/22/69/37/987226937.db2.gz YVJHSOXLTNNYJH-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001256717558 987274445 /nfs/dbraw/zinc/27/44/45/987274445.db2.gz HRNUYSAEFRQZLG-WHFBIAKZSA-N 0 1 224.651 2.237 20 0 BEADMN CN[C@H](C)c1cn(C[C@H]2CC3CCC2CC3)nn1 ZINC000691726065 987288570 /nfs/dbraw/zinc/28/85/70/987288570.db2.gz ZNPIAEWBZNKUAP-IKWCTNDRSA-N 0 1 248.374 2.385 20 0 BEADMN Cc1nnc(CN[C@]2(C)CC=CCC2)s1 ZINC000698345388 987371912 /nfs/dbraw/zinc/37/19/12/987371912.db2.gz FNLQDQLVWIGYLN-LLVKDONJSA-N 0 1 223.345 2.435 20 0 BEADMN Cc1cccc(CN2CC(C3COC3)C2)c1F ZINC001137672727 987384617 /nfs/dbraw/zinc/38/46/17/987384617.db2.gz VZDDUXZZCRXVFK-UHFFFAOYSA-N 0 1 235.302 2.212 20 0 BEADMN COc1cccc([C@H](C)NCC2=NOCC2)c1 ZINC001473327817 987399759 /nfs/dbraw/zinc/39/97/59/987399759.db2.gz XLKOTWQONSJHQE-JTQLQIEISA-N 0 1 234.299 2.122 20 0 BEADMN CC[C@H](NCC1CC=CC1)c1noc(C)n1 ZINC001473367794 987406630 /nfs/dbraw/zinc/40/66/30/987406630.db2.gz CFWYTKYBRDHRGP-NSHDSACASA-N 0 1 221.304 2.385 20 0 BEADMN CC[C@H]1CCN(Cc2ncccn2)[C@@H]1C ZINC001473402307 987418938 /nfs/dbraw/zinc/41/89/38/987418938.db2.gz JEMQMJGJNKQSNB-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN CC[C@@H]1CCN(Cc2nnc3n2CCCC3)[C@H]1C ZINC001473403588 987426337 /nfs/dbraw/zinc/42/63/37/987426337.db2.gz VOIDQNLOBXJHAJ-NWDGAFQWSA-N 0 1 248.374 2.235 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1nc2ccccc2s1 ZINC001473476898 987446294 /nfs/dbraw/zinc/44/62/94/987446294.db2.gz KNSDFCNIQPPNQC-ONGXEEELSA-N 0 1 248.351 2.251 20 0 BEADMN CC(C)(C)CCCC(=O)NCCN1CC=CC1 ZINC001116201714 987475576 /nfs/dbraw/zinc/47/55/76/987475576.db2.gz XPDMHCJKVQUJCA-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCC1(C(=O)N2CCN(C(C)(C)C)CC2)CC1 ZINC001116209341 987478959 /nfs/dbraw/zinc/47/89/59/987478959.db2.gz QGADYKBSUBEGDC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCCCN1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC001473600595 987499338 /nfs/dbraw/zinc/49/93/38/987499338.db2.gz TYTNXSKHYLKEDQ-GRYCIOLGSA-N 0 1 226.364 2.164 20 0 BEADMN c1cc2n(n1)CCN(CCCc1ccsc1)C2 ZINC001473670409 987526940 /nfs/dbraw/zinc/52/69/40/987526940.db2.gz IUEOIPPHWOZRMZ-UHFFFAOYSA-N 0 1 247.367 2.393 20 0 BEADMN c1ncc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC001137671444 987536353 /nfs/dbraw/zinc/53/63/53/987536353.db2.gz LUGUTIIEZZGTRB-ZIAGYGMSSA-N 0 1 231.343 2.489 20 0 BEADMN CCCC(CCC)C(=O)NCCN1CC=CC1 ZINC001116369461 987538092 /nfs/dbraw/zinc/53/80/92/987538092.db2.gz LPOVXOGZUOKCSC-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1cc(CN(C)Cc2ccc(F)cc2)n[nH]1 ZINC001116438307 987573373 /nfs/dbraw/zinc/57/33/73/987573373.db2.gz MOMCBNMDFPDPID-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN O=C1OCC[C@H]1N1CCC[C@@H](C2CCCC2)C1 ZINC001473886507 987601593 /nfs/dbraw/zinc/60/15/93/987601593.db2.gz CHTBJMQMGOVVSU-CHWSQXEVSA-N 0 1 237.343 2.204 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@H](C2CCCC2)C1 ZINC001473886510 987602871 /nfs/dbraw/zinc/60/28/71/987602871.db2.gz CHTBJMQMGOVVSU-STQMWFEESA-N 0 1 237.343 2.204 20 0 BEADMN CC[C@H](CC(C)C)N[C@@H]1CCNCC1(F)F ZINC001246211930 987607559 /nfs/dbraw/zinc/60/75/59/987607559.db2.gz OITXLRJMPNALQW-GHMZBOCLSA-N 0 1 234.334 2.398 20 0 BEADMN C[C@H]1C[C@H](N[C@@H]2CCNCC2(F)F)C[C@@H](C)C1 ZINC001246214647 987611218 /nfs/dbraw/zinc/61/12/18/987611218.db2.gz VKEXAWVUZRVTAX-NOOOWODRSA-N 0 1 246.345 2.398 20 0 BEADMN CC(C)CC[C@@H](C)N[C@@H]1CCNCC1(F)F ZINC001246215676 987614152 /nfs/dbraw/zinc/61/41/52/987614152.db2.gz XZOMQYXOGFEMIE-GHMZBOCLSA-N 0 1 234.334 2.398 20 0 BEADMN Fc1ccc(CCN2CCCOCC2)c(F)c1 ZINC001116542570 987621852 /nfs/dbraw/zinc/62/18/52/987621852.db2.gz NBQJHFRCOOOQOA-UHFFFAOYSA-N 0 1 241.281 2.230 20 0 BEADMN C/C=C\COC(=O)c1ccc2cncn2c1C ZINC001116598753 987639245 /nfs/dbraw/zinc/63/92/45/987639245.db2.gz BAFFTNQFVBQKJQ-ARJAWSKDSA-N 0 1 230.267 2.376 20 0 BEADMN CC[C@@H]1CC[C@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246252763 987651373 /nfs/dbraw/zinc/65/13/73/987651373.db2.gz INBMFSNCBMBDIU-BDAKNGLRSA-N 0 1 236.281 2.059 20 0 BEADMN CCn1cnc(Cl)c1CNCCSC ZINC001474207553 987659988 /nfs/dbraw/zinc/65/99/88/987659988.db2.gz XGUFNZLRQBCFLY-UHFFFAOYSA-N 0 1 233.768 2.009 20 0 BEADMN Cc1cc(CN2CCSCC[C@H]2C)[nH]n1 ZINC001116771115 987704264 /nfs/dbraw/zinc/70/42/64/987704264.db2.gz NTGKYOBTCQZRJK-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN CCn1ccc(CN2CC[C@H]2C(C)C)n1 ZINC001474392666 987708308 /nfs/dbraw/zinc/70/83/08/987708308.db2.gz AQGXQXNDBURDJR-LBPRGKRZSA-N 0 1 207.321 2.133 20 0 BEADMN CCN(Cc1nc(CO)cs1)CC1CCC1 ZINC001474471732 987730260 /nfs/dbraw/zinc/73/02/60/987730260.db2.gz RFXRRHUULDPVKS-UHFFFAOYSA-N 0 1 240.372 2.257 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cc(-c2ccccn2)n[nH]1 ZINC001474551058 987755784 /nfs/dbraw/zinc/75/57/84/987755784.db2.gz UZDDLQIWDFJYCW-WDEREUQCSA-N 0 1 242.326 2.312 20 0 BEADMN C[C@H]1CN(Cc2cc(-c3ccccn3)n[nH]2)[C@H]1C ZINC001474551055 987756267 /nfs/dbraw/zinc/75/62/67/987756267.db2.gz UZDDLQIWDFJYCW-QWRGUYRKSA-N 0 1 242.326 2.312 20 0 BEADMN CCOC1CC(CSc2nnc(C)[nH]2)C1 ZINC001117132445 987786023 /nfs/dbraw/zinc/78/60/23/987786023.db2.gz JDZXNRPKDMCTBB-UHFFFAOYSA-N 0 1 227.333 2.020 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2CC(C)(C)C2)n1 ZINC001117133293 987787548 /nfs/dbraw/zinc/78/75/48/987787548.db2.gz HKJJILXGRFPJHH-UHFFFAOYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)C2CC(C)(C)C2)n[nH]1 ZINC001117133293 987787554 /nfs/dbraw/zinc/78/75/54/987787554.db2.gz HKJJILXGRFPJHH-UHFFFAOYSA-N 0 1 236.319 2.303 20 0 BEADMN Fc1ccc(/C=C\CNCc2ncc[nH]2)cc1F ZINC001474653779 987793083 /nfs/dbraw/zinc/79/30/83/987793083.db2.gz GZTVSQLLZZTWEX-UPHRSURJSA-N 0 1 249.264 2.491 20 0 BEADMN Cc1cc(CNCC2(Br)CC2)on1 ZINC001474734354 987813255 /nfs/dbraw/zinc/81/32/55/987813255.db2.gz RUZCCLRUHHCAJP-UHFFFAOYSA-N 0 1 245.120 2.000 20 0 BEADMN Cc1ccccc1COC(=O)NCc1cnc[nH]1 ZINC001475540605 987832037 /nfs/dbraw/zinc/83/20/37/987832037.db2.gz LQOUTSZUXULHFF-UHFFFAOYSA-N 0 1 245.282 2.145 20 0 BEADMN CCC[C@@H](CC)C(=O)N(C)C[C@@H]1CCN1CC ZINC001479257103 987895766 /nfs/dbraw/zinc/89/57/66/987895766.db2.gz ZIYUGOLPXJRBEH-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CN(C)CC(=O)NC(C)(C)C1CCCCC1 ZINC001321490945 987925662 /nfs/dbraw/zinc/92/56/62/987925662.db2.gz QTJHNQAWIJTXBH-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCC1(C)CN(Cc2cccnc2N(C)C)C1 ZINC001117814163 987933611 /nfs/dbraw/zinc/93/36/11/987933611.db2.gz HXLZMFXHLZNXDR-UHFFFAOYSA-N 0 1 233.359 2.380 20 0 BEADMN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC001321560203 987940736 /nfs/dbraw/zinc/94/07/36/987940736.db2.gz YBWZRPHOBYYXTF-GHMZBOCLSA-N 0 1 225.361 2.126 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC2(C)C)[nH]1 ZINC001322269691 988183914 /nfs/dbraw/zinc/18/39/14/988183914.db2.gz LNXUPVRAVMBNJG-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN Cc1c(C(=O)N[C@@H]2CC[C@@H]2C)ccc2cncn21 ZINC001322595383 988338144 /nfs/dbraw/zinc/33/81/44/988338144.db2.gz QSTONNIJDHDWJI-TVQRCGJNSA-N 0 1 243.310 2.171 20 0 BEADMN C/C=C(\CC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC001118458559 988361290 /nfs/dbraw/zinc/36/12/90/988361290.db2.gz FPZASKTUMCTEQN-CBVZUMJXSA-N 0 1 237.303 2.328 20 0 BEADMN CC(C)CCCCC(=O)OCc1nnc[nH]1 ZINC001118462934 988365543 /nfs/dbraw/zinc/36/55/43/988365543.db2.gz KDGXMMVAGRJZJN-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN c1nonc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001118492610 988386905 /nfs/dbraw/zinc/38/69/05/988386905.db2.gz NAVKFEGNIYOZAE-QWRGUYRKSA-N 0 1 221.304 2.082 20 0 BEADMN Cc1cccc(NC[C@H]2CCCN2CCF)n1 ZINC001322863162 988393062 /nfs/dbraw/zinc/39/30/62/988393062.db2.gz SGAAFLCBAZNZEW-GFCCVEGCSA-N 0 1 237.322 2.236 20 0 BEADMN CCc1cc(NCc2nnc[nH]2)ccc1F ZINC001118578496 988462264 /nfs/dbraw/zinc/46/22/64/988462264.db2.gz GJPMGWFMPXUFCQ-UHFFFAOYSA-N 0 1 220.251 2.118 20 0 BEADMN CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001323264215 988483297 /nfs/dbraw/zinc/48/32/97/988483297.db2.gz WCFKOKHIOBJWEM-YPMHNXCESA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CN(C)c2cccc(O)c2)n[nH]1 ZINC001118675427 988495613 /nfs/dbraw/zinc/49/56/13/988495613.db2.gz JHCBDRCBQWTGPZ-UHFFFAOYSA-N 0 1 217.272 2.060 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC001323320370 988497131 /nfs/dbraw/zinc/49/71/31/988497131.db2.gz AGOVROOIFUCHRM-ZJUUUORDSA-N 0 1 207.321 2.196 20 0 BEADMN CCCCCCN1CC[C@H]1CNC(=O)C(F)F ZINC001498912093 988509179 /nfs/dbraw/zinc/50/91/79/988509179.db2.gz HTWASIODLSFVER-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CC1CCC(=CC(=O)NCCN2CC=CC2)CC1 ZINC001323483960 988536068 /nfs/dbraw/zinc/53/60/68/988536068.db2.gz ULKGIEMUPYLKMM-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN CC[C@H](CC(C)C)N1CC[C@H](N)C(F)(F)C1 ZINC001246839538 988537606 /nfs/dbraw/zinc/53/76/06/988537606.db2.gz XXDPANXSGUASSF-MNOVXSKESA-N 0 1 234.334 2.479 20 0 BEADMN Cc1cc(CNc2nnc(CC(C)(C)C)o2)n[nH]1 ZINC001323515275 988544515 /nfs/dbraw/zinc/54/45/15/988544515.db2.gz OZRFPHJKSDJCQJ-UHFFFAOYSA-N 0 1 249.318 2.302 20 0 BEADMN CCCCCN(CC(=O)OC)CC(C)C ZINC001323792630 988615732 /nfs/dbraw/zinc/61/57/32/988615732.db2.gz AFGXBQNGFCAVHZ-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1ccccc1F ZINC001324100654 988696072 /nfs/dbraw/zinc/69/60/72/988696072.db2.gz IIIXFQUKWYDACY-UHFFFAOYSA-N 0 1 248.305 2.274 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001119039017 988807745 /nfs/dbraw/zinc/80/77/45/988807745.db2.gz WOBKKHPTEQTMMI-LLVKDONJSA-N 0 1 248.326 2.120 20 0 BEADMN CC(C)c1ccc2nc(CCO)[nH]c2c1 ZINC001247014680 988840171 /nfs/dbraw/zinc/84/01/71/988840171.db2.gz VOBMIUIWNNSLCZ-UHFFFAOYSA-N 0 1 204.273 2.221 20 0 BEADMN OCc1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001247018500 988844604 /nfs/dbraw/zinc/84/46/04/988844604.db2.gz ASWPILRLMWMRLP-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Cc1cnc(CNC2CC3(CC3(F)F)C2)o1 ZINC001119246969 988860785 /nfs/dbraw/zinc/86/07/85/988860785.db2.gz NBBMEHBROUCDJU-UHFFFAOYSA-N 0 1 228.242 2.260 20 0 BEADMN Cc1ccc(-c2noc(C3CN(C)C3)n2)c(C)c1 ZINC001247373082 988862321 /nfs/dbraw/zinc/86/23/21/988862321.db2.gz NASPOZVBERSCJN-UHFFFAOYSA-N 0 1 243.310 2.382 20 0 BEADMN CNCc1nc(-c2cc(F)c(C)cc2F)no1 ZINC001247432039 988885784 /nfs/dbraw/zinc/88/57/84/988885784.db2.gz QZQMSSNYONOKOE-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CNCc1nc(-c2cccc3cccnc32)no1 ZINC001247431319 988887754 /nfs/dbraw/zinc/88/77/54/988887754.db2.gz HDYVLIUWCZPSED-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001247489532 988897108 /nfs/dbraw/zinc/89/71/08/988897108.db2.gz BDKKKSRJRWESLM-QMMMGPOBSA-N 0 1 245.282 2.220 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2N(C)C)no1 ZINC001247490956 988897538 /nfs/dbraw/zinc/89/75/38/988897538.db2.gz WQLHWWVINKVDQV-VIFPVBQESA-N 0 1 246.314 2.083 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H](C)C2CCC2)n1 ZINC001324654873 988913200 /nfs/dbraw/zinc/91/32/00/988913200.db2.gz VUIWGZFGXNDDSA-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC001324654873 988913211 /nfs/dbraw/zinc/91/32/11/988913211.db2.gz VUIWGZFGXNDDSA-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN Cc1ncc(CNC2(C)CC(F)(F)C2)cn1 ZINC001119303633 988913384 /nfs/dbraw/zinc/91/33/84/988913384.db2.gz FSKAOOOJYUVAJA-UHFFFAOYSA-N 0 1 227.258 2.062 20 0 BEADMN C[C@H](CCc1cccnc1)NCc1csnn1 ZINC001119304093 988916385 /nfs/dbraw/zinc/91/63/85/988916385.db2.gz PFTUOHWJYXHHJS-SNVBAGLBSA-N 0 1 248.355 2.044 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CCC[C@@H](F)C1 ZINC001119304239 988917868 /nfs/dbraw/zinc/91/78/68/988917868.db2.gz QGZGYXJSTLTLLQ-MNOVXSKESA-N 0 1 240.326 2.229 20 0 BEADMN CCc1noc(C[N@H+](CC)C(C)(C)C)n1 ZINC001324691785 988935545 /nfs/dbraw/zinc/93/55/45/988935545.db2.gz CBWHIKJUJBSKBI-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN CCc1noc(CN(CC)C(C)(C)C)n1 ZINC001324691785 988935551 /nfs/dbraw/zinc/93/55/51/988935551.db2.gz CBWHIKJUJBSKBI-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN Cc1c[nH]nc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001324711985 988943506 /nfs/dbraw/zinc/94/35/06/988943506.db2.gz ZJEUAJHCSGGIGW-UHFFFAOYSA-N 0 1 245.301 2.457 20 0 BEADMN CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001514828383 988944758 /nfs/dbraw/zinc/94/47/58/988944758.db2.gz LLMJKEUCHSPCAE-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCC[C@H](NC)c1nc(-c2ccncc2)no1 ZINC001247626820 988951745 /nfs/dbraw/zinc/95/17/45/988951745.db2.gz MIVXCMNDQPHQGD-JTQLQIEISA-N 0 1 232.287 2.192 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)[C@H](C)C1 ZINC001599848443 988973901 /nfs/dbraw/zinc/97/39/01/988973901.db2.gz KXNHGNAMNCTRMX-ZYUZMQFOSA-N 0 1 247.285 2.073 20 0 BEADMN CCc1cccc(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247676596 988976880 /nfs/dbraw/zinc/97/68/80/988976880.db2.gz KTSGJNKLMROGAA-NSHDSACASA-N 0 1 229.283 2.333 20 0 BEADMN CC/C(C)=C/C(=O)OCc1ccc2[nH]nnc2c1 ZINC001515158957 989001887 /nfs/dbraw/zinc/00/18/87/989001887.db2.gz VLQDJJAPRRWMRG-RMKNXTFCSA-N 0 1 245.282 2.357 20 0 BEADMN CC/C(C)=C/C(=O)OCc1ccc2nn[nH]c2c1 ZINC001515158957 989001906 /nfs/dbraw/zinc/00/19/06/989001906.db2.gz VLQDJJAPRRWMRG-RMKNXTFCSA-N 0 1 245.282 2.357 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCCC1CC1 ZINC001515245125 989010714 /nfs/dbraw/zinc/01/07/14/989010714.db2.gz WBRVRERYCAYEDW-UHFFFAOYSA-N 0 1 222.288 2.455 20 0 BEADMN CS[C@H](C)CCOC(=O)c1[nH]cnc1C ZINC001515298500 989020945 /nfs/dbraw/zinc/02/09/45/989020945.db2.gz RGUMFKCOWLCJRB-SSDOTTSWSA-N 0 1 228.317 2.017 20 0 BEADMN F[C@]1(c2nc(-c3ccccc3)no2)CCCNC1 ZINC001247880205 989032420 /nfs/dbraw/zinc/03/24/20/989032420.db2.gz PCMDOBYYQAESOY-CYBMUJFWSA-N 0 1 247.273 2.285 20 0 BEADMN c1nc2c(ncnc2N2CCC[C@@H]2C2CCC2)[nH]1 ZINC001515445689 989046184 /nfs/dbraw/zinc/04/61/84/989046184.db2.gz VWLQVWDXUSQIGK-SNVBAGLBSA-N 0 1 243.314 2.122 20 0 BEADMN C[C@H](c1nc(-c2ccccn2)no1)N1CCCC1 ZINC001248123754 989076785 /nfs/dbraw/zinc/07/67/85/989076785.db2.gz YNQCIGFHKQTHGH-SNVBAGLBSA-N 0 1 244.298 2.288 20 0 BEADMN CN[C@@H](c1nc(-c2cncc(C)c2)no1)C(C)C ZINC001248206375 989081265 /nfs/dbraw/zinc/08/12/65/989081265.db2.gz UHQMFIGBAXFWBY-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN Cc1cccc(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248229163 989088567 /nfs/dbraw/zinc/08/85/67/989088567.db2.gz NNHRKGXJVZSILI-NSHDSACASA-N 0 1 227.267 2.246 20 0 BEADMN O[C@@H]1CCN(Cc2c3ccoc3ccc2F)C1 ZINC001248523938 989116006 /nfs/dbraw/zinc/11/60/06/989116006.db2.gz HUNJTABLUODOPW-SECBINFHSA-N 0 1 235.258 2.139 20 0 BEADMN Nc1nc2ccccc2n1-c1cc2cccnc2[nH]1 ZINC001248694778 989130231 /nfs/dbraw/zinc/13/02/31/989130231.db2.gz TZDAFGCYAULCSB-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cc1cccc(-c2noc([C@@]3(C)CCN3)n2)c1 ZINC001248725469 989135594 /nfs/dbraw/zinc/13/55/94/989135594.db2.gz FDDXKASYVUQACU-CYBMUJFWSA-N 0 1 229.283 2.254 20 0 BEADMN Clc1cnc(N[C@@H]2CN3CCC2CC3)s1 ZINC001516166851 989141789 /nfs/dbraw/zinc/14/17/89/989141789.db2.gz SOBPFTJXCFVHQU-MRVPVSSYSA-N 0 1 243.763 2.303 20 0 BEADMN CC(C)(C)c1cccc(COCc2nn[nH]n2)c1 ZINC001119541270 989146752 /nfs/dbraw/zinc/14/67/52/989146752.db2.gz WLYKAKGHGNDNRS-UHFFFAOYSA-N 0 1 246.314 2.214 20 0 BEADMN CN(Cc1ccccc1)Cc1cccc(=O)n1C ZINC001248805559 989157013 /nfs/dbraw/zinc/15/70/13/989157013.db2.gz YUIXYQWVIHMTJX-UHFFFAOYSA-N 0 1 242.322 2.017 20 0 BEADMN Cn1c(=O)cccc1C[N@@H+](C)Cc1cccs1 ZINC001248807700 989167660 /nfs/dbraw/zinc/16/76/60/989167660.db2.gz BFZNYAQJYJIFSV-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN CN(Cc1cccs1)Cc1cccc(=O)n1C ZINC001248807700 989167664 /nfs/dbraw/zinc/16/76/64/989167664.db2.gz BFZNYAQJYJIFSV-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN Cc1nnc(SCCOCC2CCC2)[nH]1 ZINC001325349814 989169941 /nfs/dbraw/zinc/16/99/41/989169941.db2.gz RGZOGKNAMDXKNL-UHFFFAOYSA-N 0 1 227.333 2.022 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2n1CCC2 ZINC001248821872 989185696 /nfs/dbraw/zinc/18/56/96/989185696.db2.gz PUUGLZVVYGEHHD-BETUJISGSA-N 0 1 244.338 2.130 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2n1CCC2 ZINC001248821872 989185700 /nfs/dbraw/zinc/18/57/00/989185700.db2.gz PUUGLZVVYGEHHD-BETUJISGSA-N 0 1 244.338 2.130 20 0 BEADMN c1cc(CN2CC[C@@]23CCOC3)n(C2CC2)c1 ZINC001325430264 989186455 /nfs/dbraw/zinc/18/64/55/989186455.db2.gz CBUXGOLJVHUDDH-AWEZNQCLSA-N 0 1 232.327 2.188 20 0 BEADMN Cc1ccc2nc(CN3CC(C)(F)C3)[nH]c2c1 ZINC001248839869 989189009 /nfs/dbraw/zinc/18/90/09/989189009.db2.gz ALUJYRMEQCCHIN-UHFFFAOYSA-N 0 1 233.290 2.415 20 0 BEADMN CCN(Cc1nc2ccc(C)cc2[nH]1)C1COC1 ZINC001248842833 989190311 /nfs/dbraw/zinc/19/03/11/989190311.db2.gz LTHDDRMIHIJCGA-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN CC(C)Sc1nccc(CN(C)C)n1 ZINC001248829811 989192209 /nfs/dbraw/zinc/19/22/09/989192209.db2.gz SIEMANCQRNQFBL-UHFFFAOYSA-N 0 1 211.334 2.039 20 0 BEADMN Cc1ccc2nc(CN3CC(C)C3)[nH]c2c1 ZINC001248839247 989194981 /nfs/dbraw/zinc/19/49/81/989194981.db2.gz BEGAINCISKSOBM-UHFFFAOYSA-N 0 1 215.300 2.323 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C)[C@@H](C)C1 ZINC001248856867 989198490 /nfs/dbraw/zinc/19/84/90/989198490.db2.gz ACOBDWASZHFKHE-UWVGGRQHSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nonc1C[N@@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001248856867 989198485 /nfs/dbraw/zinc/19/84/85/989198485.db2.gz ACOBDWASZHFKHE-UWVGGRQHSA-N 0 1 223.320 2.246 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nc(-c2ccncc2)no1 ZINC001248932994 989220833 /nfs/dbraw/zinc/22/08/33/989220833.db2.gz YHEXNUDAWUXSSY-ONGXEEELSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1nnc(SC[C@@H]2CC[C@@H](C3CC3)O2)[nH]1 ZINC001119608981 989233217 /nfs/dbraw/zinc/23/32/17/989233217.db2.gz JDKCPXRTLGJZGH-UWVGGRQHSA-N 0 1 239.344 2.163 20 0 BEADMN CCCCNCc1nc(-c2cccnc2C)no1 ZINC001249025682 989238195 /nfs/dbraw/zinc/23/81/95/989238195.db2.gz LXTBVKHVJMVDPX-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)C(=O)OC3)n[nH]1 ZINC001325752464 989251845 /nfs/dbraw/zinc/25/18/45/989251845.db2.gz OBAFIQMGBQIZGN-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN Cc1ccccc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001325761696 989253475 /nfs/dbraw/zinc/25/34/75/989253475.db2.gz ILZDMDOKWZHDTA-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1ccccc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001325761696 989253488 /nfs/dbraw/zinc/25/34/88/989253488.db2.gz ILZDMDOKWZHDTA-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CCNCc1nc(-c2cccc(F)c2F)no1 ZINC001249134156 989260869 /nfs/dbraw/zinc/26/08/69/989260869.db2.gz ZXKBWPYVOIKBAG-UHFFFAOYSA-N 0 1 239.225 2.124 20 0 BEADMN COc1ccc(Cn2cc(CN(C)C)cn2)cc1 ZINC001249315517 989271370 /nfs/dbraw/zinc/27/13/70/989271370.db2.gz AIXPPALDURWSDA-UHFFFAOYSA-N 0 1 245.326 2.002 20 0 BEADMN CCN(C)Cc1nc2cc(OC)ccc2[nH]1 ZINC001249410794 989274912 /nfs/dbraw/zinc/27/49/12/989274912.db2.gz FZJJOSZJZBQGNA-UHFFFAOYSA-N 0 1 219.288 2.023 20 0 BEADMN COc1ccc2nc(CN3CC(C)C3)[nH]c2c1 ZINC001249411980 989276517 /nfs/dbraw/zinc/27/65/17/989276517.db2.gz QHZZWWYKIRZOLN-UHFFFAOYSA-N 0 1 231.299 2.023 20 0 BEADMN CN1CCN(Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249476085 989291316 /nfs/dbraw/zinc/29/13/16/989291316.db2.gz DKKRJBZYFQEWNS-UHFFFAOYSA-N 0 1 235.375 2.060 20 0 BEADMN Cc1c(N)c(F)ccc1Nc1ccnc(CO)c1 ZINC001249634593 989329980 /nfs/dbraw/zinc/32/99/80/989329980.db2.gz XDRVEXJSAAGKNO-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@@H](O)C1(C)C ZINC001326025271 989334559 /nfs/dbraw/zinc/33/45/59/989334559.db2.gz RIGWUZGWXKQLJR-LLVKDONJSA-N 0 1 238.331 2.143 20 0 BEADMN COC/C(C)=C\CN1CCC[C@@H](OC(F)F)C1 ZINC001119803766 989413335 /nfs/dbraw/zinc/41/33/35/989413335.db2.gz AYHMQLXKVRHNHN-GULOHRGCSA-N 0 1 249.301 2.283 20 0 BEADMN COC/C(C)=C\CN[C@@H](COC)c1ccco1 ZINC001119809880 989413455 /nfs/dbraw/zinc/41/34/55/989413455.db2.gz HHGUQWBRGFGGLK-DSDFTUOUSA-N 0 1 239.315 2.149 20 0 BEADMN Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)n[nH]1 ZINC001326301803 989474720 /nfs/dbraw/zinc/47/47/20/989474720.db2.gz BIPYWJQUPJIVOT-LBPRGKRZSA-N 0 1 249.358 2.109 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC001599881222 989486606 /nfs/dbraw/zinc/48/66/06/989486606.db2.gz TUKPRYZFMCQELL-CZULRBLNSA-N 0 1 232.283 2.236 20 0 BEADMN CCc1cc(CNCc2cccn2C2CC2)[nH]n1 ZINC001326429509 989556111 /nfs/dbraw/zinc/55/61/11/989556111.db2.gz GDXFDHVXTMFUNM-UHFFFAOYSA-N 0 1 244.342 2.398 20 0 BEADMN FC[C@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC001120064584 989583941 /nfs/dbraw/zinc/58/39/41/989583941.db2.gz VQTMVAZQTCIMQH-LLVKDONJSA-N 0 1 237.322 2.400 20 0 BEADMN Cc1nnc(SC[C@H]2CCO[C@H](C)C2)[nH]1 ZINC001326594079 989620705 /nfs/dbraw/zinc/62/07/05/989620705.db2.gz VUDHRAJTGNOAMG-APPZFPTMSA-N 0 1 227.333 2.020 20 0 BEADMN c1c(CN2CC3CCC2CC3)nn2c1CCC2 ZINC001326709281 989658547 /nfs/dbraw/zinc/65/85/47/989658547.db2.gz PVRJBTYVEUPSDA-UHFFFAOYSA-N 0 1 231.343 2.204 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@]2(C)CCC[C@H]2C)c1C ZINC001521892544 989812810 /nfs/dbraw/zinc/81/28/10/989812810.db2.gz DGFDVEUQZIVREN-YMTOWFKASA-N 0 1 249.358 2.469 20 0 BEADMN CC1CCC(C)(C(=O)NCc2cnc[nH]2)CC1 ZINC001120695155 989833929 /nfs/dbraw/zinc/83/39/29/989833929.db2.gz AENKURGXWKLWBY-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN CC[C@@H](F)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC001120709626 989840730 /nfs/dbraw/zinc/84/07/30/989840730.db2.gz VIKJHQCAYHTGKM-SCSAIBSYSA-N 0 1 239.172 2.115 20 0 BEADMN CCN1CCN(c2cc(F)cc(C)n2)[C@H](C)C1 ZINC001120849336 989922135 /nfs/dbraw/zinc/92/21/35/989922135.db2.gz NLNQWSHAOLYLPQ-LLVKDONJSA-N 0 1 237.322 2.060 20 0 BEADMN C[C@@H]1CC(CNc2nccnc2CN)C[C@@H](C)C1 ZINC001120862044 989929816 /nfs/dbraw/zinc/92/98/16/989929816.db2.gz LMFZJULEIFYGHH-QWRGUYRKSA-N 0 1 248.374 2.420 20 0 BEADMN C[C@H]1CC(CNc2nccnc2CN)C[C@H](C)C1 ZINC001120862043 989930226 /nfs/dbraw/zinc/93/02/26/989930226.db2.gz LMFZJULEIFYGHH-GHMZBOCLSA-N 0 1 248.374 2.420 20 0 BEADMN CC(C)(C)SCC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC001590429508 989982202 /nfs/dbraw/zinc/98/22/02/989982202.db2.gz ACELLNLLFSAWNG-NSHDSACASA-N 0 1 249.351 2.017 20 0 BEADMN CC(C)=C(C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001121233501 990053714 /nfs/dbraw/zinc/05/37/14/990053714.db2.gz RTHHATPQXZDVRQ-UHFFFAOYSA-N 0 1 246.270 2.360 20 0 BEADMN CCN(OC)C(=O)c1ccc(Cl)cc1O ZINC001529027097 990325524 /nfs/dbraw/zinc/32/55/24/990325524.db2.gz AQTRQEKFIJYDFI-UHFFFAOYSA-N 0 1 229.663 2.069 20 0 BEADMN Cc1cccnc1NC(=O)c1cccc(F)c1O ZINC001531172593 990389598 /nfs/dbraw/zinc/38/95/98/990389598.db2.gz HOONQCZNPQTECM-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)CC(C)C ZINC001122568836 990416124 /nfs/dbraw/zinc/41/61/24/990416124.db2.gz MCGLOSRBEIOICM-MRVPVSSYSA-N 0 1 210.277 2.310 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CC1(Cl)Cl ZINC001122770268 990444989 /nfs/dbraw/zinc/44/49/89/990444989.db2.gz CHIZUZLAWZRKLT-ZCFIWIBFSA-N 0 1 249.097 2.069 20 0 BEADMN CC[C@H](OC(=O)c1[nH]cnc1C)c1ccncc1 ZINC001122974694 990478265 /nfs/dbraw/zinc/47/82/65/990478265.db2.gz GEDKWUCSIGCJHL-NSHDSACASA-N 0 1 245.282 2.421 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1(C)CCC1 ZINC001122992990 990485456 /nfs/dbraw/zinc/48/54/56/990485456.db2.gz NDFHDPNGOJVHGZ-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN CCCCC1(C(=O)O[C@@H](C)c2nnc[nH]2)CC1 ZINC001123117531 990514314 /nfs/dbraw/zinc/51/43/14/990514314.db2.gz RVLYQMVVBIVEOS-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN Cc1ccccc1[C@H](C)C(=O)OCCN1CCC1 ZINC001123148880 990519827 /nfs/dbraw/zinc/51/98/27/990519827.db2.gz OCDSGRZOOCWZQL-ZDUSSCGKSA-N 0 1 247.338 2.347 20 0 BEADMN Cc1cc(CCC(=O)Nc2ccccc2)n[nH]1 ZINC001540433187 990620642 /nfs/dbraw/zinc/62/06/42/990620642.db2.gz IMJZNJFUQLBBDN-UHFFFAOYSA-N 0 1 229.283 2.289 20 0 BEADMN CCc1nc[nH]c1C(=O)N(C)c1ccccc1 ZINC001540433268 990622642 /nfs/dbraw/zinc/62/26/42/990622642.db2.gz LWGCCVZNAOBGAA-UHFFFAOYSA-N 0 1 229.283 2.249 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@H]1C[C@H]1F ZINC001123774734 990666521 /nfs/dbraw/zinc/66/65/21/990666521.db2.gz LLUALFQSFBVNAW-CAHLUQPWSA-N 0 1 229.638 2.342 20 0 BEADMN O=C(Nc1cnoc1)c1c(F)ccnc1Cl ZINC001542754344 990673607 /nfs/dbraw/zinc/67/36/07/990673607.db2.gz ILRYHUBBKUQOAL-UHFFFAOYSA-N 0 1 241.609 2.114 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2CC[C@@H](C)C2)c1C ZINC001123989029 990724453 /nfs/dbraw/zinc/72/44/53/990724453.db2.gz NDQWLGPRXWOZJB-SKDRFNHKSA-N 0 1 249.358 2.469 20 0 BEADMN O=C(NCCC1CC1)c1cccc2nc[nH]c21 ZINC001544986200 990741515 /nfs/dbraw/zinc/74/15/15/990741515.db2.gz BYGSSZXCAFRTBP-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)c1cnncc1O ZINC001556673582 990842493 /nfs/dbraw/zinc/84/24/93/990842493.db2.gz FYVSQQOHRCPCRZ-JTQLQIEISA-N 0 1 249.314 2.047 20 0 BEADMN CCOc1cccc(CN(CC)C2CN(C)C2)c1 ZINC001138102318 990882344 /nfs/dbraw/zinc/88/23/44/990882344.db2.gz FWBMZEDDGKRPPC-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN CSc1cccnc1NC(=O)c1cc(C)on1 ZINC001557348423 990885987 /nfs/dbraw/zinc/88/59/87/990885987.db2.gz YTUZHTIEFVDOSC-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001557410057 990888771 /nfs/dbraw/zinc/88/87/71/990888771.db2.gz CDOONFGNKJPMDM-GFCCVEGCSA-N 0 1 245.257 2.136 20 0 BEADMN CN(C)Cc1ccc(N2CCCCC2)o1 ZINC001138170967 990896605 /nfs/dbraw/zinc/89/66/05/990896605.db2.gz LSKYWCZDKWOGLR-UHFFFAOYSA-N 0 1 208.305 2.332 20 0 BEADMN CC1(C)CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001138290096 990908121 /nfs/dbraw/zinc/90/81/21/990908121.db2.gz SQMIAHMCFDZEKP-QMMMGPOBSA-N 0 1 239.294 2.247 20 0 BEADMN CC1CC([N@@H+](C)Cc2cc(O)cc(O)c2)C1 ZINC001138324707 990916960 /nfs/dbraw/zinc/91/69/60/990916960.db2.gz VGQRQYHRJLTRGO-UHFFFAOYSA-N 0 1 221.300 2.328 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])[C@@H](C)C1 ZINC001138395067 990936414 /nfs/dbraw/zinc/93/64/14/990936414.db2.gz RVYZLCNFJARAHE-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])[C@@H](C)C1 ZINC001138395067 990936420 /nfs/dbraw/zinc/93/64/20/990936420.db2.gz RVYZLCNFJARAHE-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN COc1cc(C)c(CN2CC=CC2)cc1OC ZINC001138435346 990946706 /nfs/dbraw/zinc/94/67/06/990946706.db2.gz DKUOISPFRQOMEK-UHFFFAOYSA-N 0 1 233.311 2.384 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC001138451238 990947312 /nfs/dbraw/zinc/94/73/12/990947312.db2.gz AWYDFACGXJGTJL-IRCOFANPSA-N 0 1 247.342 2.160 20 0 BEADMN CN(C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138449711 990949008 /nfs/dbraw/zinc/94/90/08/990949008.db2.gz LXSPAGXKTOWALI-UHFFFAOYSA-N 0 1 235.331 2.128 20 0 BEADMN Cc1cccc(O[C@H](C)CNCc2cc[nH]n2)c1 ZINC001308275637 990953937 /nfs/dbraw/zinc/95/39/37/990953937.db2.gz UGVZHAYTJHRBSR-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1ccc(O[C@@H](C)CNCc2cc[nH]n2)cc1 ZINC001308285726 990958251 /nfs/dbraw/zinc/95/82/51/990958251.db2.gz JQYFKVXVVGBFFP-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001258067607 990960683 /nfs/dbraw/zinc/96/06/83/990960683.db2.gz BJECRVGPONNEPF-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)C[C@@H](C)C[C@H](C)N1CC(=O)NC[C@H]1C ZINC001258075298 990972908 /nfs/dbraw/zinc/97/29/08/990972908.db2.gz UZKAZEPGCRMOET-FRRDWIJNSA-N 0 1 240.391 2.268 20 0 BEADMN CCn1ccc(CNCCSCC(C)C)n1 ZINC001308360572 990973104 /nfs/dbraw/zinc/97/31/04/990973104.db2.gz KIKGIZMJHBVNEI-UHFFFAOYSA-N 0 1 241.404 2.382 20 0 BEADMN CC(C)(C)c1n[nH]cc1CN1CC[C@H]2OCC[C@H]21 ZINC001138577245 990976979 /nfs/dbraw/zinc/97/69/79/990976979.db2.gz VMIZTOLJQKKIHP-VXGBXAGGSA-N 0 1 249.358 2.070 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001308458540 991001068 /nfs/dbraw/zinc/00/10/68/991001068.db2.gz XJKNUIVUQJRUQQ-OPRDCNLKSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001258096067 991004548 /nfs/dbraw/zinc/00/45/48/991004548.db2.gz MTLNQNUODYRGEG-OLZOCXBDSA-N 0 1 238.375 2.284 20 0 BEADMN COC[C@H]1COCCN1[C@@H](C)CCC=C(C)C ZINC001258096416 991005397 /nfs/dbraw/zinc/00/53/97/991005397.db2.gz PJABRYZISLCXHQ-KBPBESRZSA-N 0 1 241.375 2.469 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(Cl)ccn1 ZINC001558924315 991008628 /nfs/dbraw/zinc/00/86/28/991008628.db2.gz MQSSCRHOZBUSIQ-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CCc1cnc(CNCC(C)(C)[C@@H](C)O)s1 ZINC001308541531 991026896 /nfs/dbraw/zinc/02/68/96/991026896.db2.gz YUKMEVOSNVIENN-SECBINFHSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@H]1CC(Nc2nccnc2CN)C[C@H](C)C1 ZINC001258157654 991042008 /nfs/dbraw/zinc/04/20/08/991042008.db2.gz GJGUTGDSVGDYHA-NXEZZACHSA-N 0 1 234.347 2.172 20 0 BEADMN CC1CC(N(C)Cc2cccnc2F)C1 ZINC001138783179 991041948 /nfs/dbraw/zinc/04/19/48/991041948.db2.gz MUBXFTHPMMSCNM-UHFFFAOYSA-N 0 1 208.280 2.451 20 0 BEADMN CN(Cc1cccnc1F)CC1CCC1 ZINC001138788052 991054441 /nfs/dbraw/zinc/05/44/41/991054441.db2.gz RQAISKZHUJFTNR-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1nc(CO)cs1 ZINC001308604989 991060855 /nfs/dbraw/zinc/06/08/55/991060855.db2.gz ZGTXFUZJGBDXKI-DTORHVGOSA-N 0 1 226.345 2.008 20 0 BEADMN C[C@@H](Cc1ccco1)[NH2+]Cc1ncccc1[O-] ZINC001258177132 991075021 /nfs/dbraw/zinc/07/50/21/991075021.db2.gz MNJKORLMAGVGJN-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN C[C@H](Cc1ccco1)NCC(=O)c1cccnc1 ZINC001258178186 991080668 /nfs/dbraw/zinc/08/06/68/991080668.db2.gz ILXWNFLWWZRUST-LLVKDONJSA-N 0 1 244.294 2.078 20 0 BEADMN CO[C@H]([C@H](C)NCc1ncccc1F)C1CC1 ZINC001308766829 991125661 /nfs/dbraw/zinc/12/56/61/991125661.db2.gz UKMXKIXZVZFKAQ-TVQRCGJNSA-N 0 1 238.306 2.124 20 0 BEADMN CCCn1cc(CN2CCC[C@@]3(CCO3)C2)cn1 ZINC001139040280 991126559 /nfs/dbraw/zinc/12/65/59/991126559.db2.gz XNGNSEHWFNEQOU-CQSZACIVSA-N 0 1 249.358 2.048 20 0 BEADMN OC1CC2(C1)CN(Cc1cc3ccccc3o1)C2 ZINC001139060593 991133180 /nfs/dbraw/zinc/13/31/80/991133180.db2.gz FHSIJUKZKCILSD-UHFFFAOYSA-N 0 1 243.306 2.390 20 0 BEADMN O[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@H]1F ZINC001139062512 991135304 /nfs/dbraw/zinc/13/53/04/991135304.db2.gz ZIGFFFPOZMKDLO-STQMWFEESA-N 0 1 249.285 2.338 20 0 BEADMN COC1CCN(Cc2cccn2C(F)F)CC1 ZINC001308788021 991136784 /nfs/dbraw/zinc/13/67/84/991136784.db2.gz UODFEUSQKHHYRM-UHFFFAOYSA-N 0 1 244.285 2.494 20 0 BEADMN CCCc1nc(C)c(CNC[C@H](C)OC)o1 ZINC001308804046 991140451 /nfs/dbraw/zinc/14/04/51/991140451.db2.gz XTFDGVBJSBKIQX-VIFPVBQESA-N 0 1 226.320 2.060 20 0 BEADMN CCCOC1CN([C@H](C)CCSC)C1 ZINC001258219896 991146683 /nfs/dbraw/zinc/14/66/83/991146683.db2.gz MGIDMXVEGYRJRA-SNVBAGLBSA-N 0 1 217.378 2.239 20 0 BEADMN CCNc1ccccc1CN1CC[C@]12CCOC2 ZINC001308823299 991165148 /nfs/dbraw/zinc/16/51/48/991165148.db2.gz NEHPQARZNKHHRO-OAHLLOKOSA-N 0 1 246.354 2.483 20 0 BEADMN CCCC[C@](C)(CO)NCc1ncccc1F ZINC001308834400 991166369 /nfs/dbraw/zinc/16/63/69/991166369.db2.gz BLXMIACRCIYXOD-CYBMUJFWSA-N 0 1 240.322 2.252 20 0 BEADMN CC1(CO)CN(Cc2ccc3cccnc3c2)C1 ZINC001139163980 991169063 /nfs/dbraw/zinc/16/90/63/991169063.db2.gz CACAMTPDQXGDJM-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN c1ccc(C[C@@H]2CCN2CC2=NOCC2)cc1 ZINC001559585886 991175997 /nfs/dbraw/zinc/17/59/97/991175997.db2.gz KAOZBYWSWYEOBI-AWEZNQCLSA-N 0 1 230.311 2.080 20 0 BEADMN Cc1cccc2[nH]cc(CN3C[C@@H]4C[C@H]3CO4)c21 ZINC001139196455 991185155 /nfs/dbraw/zinc/18/51/55/991185155.db2.gz NNRJIJSGJQICQJ-STQMWFEESA-N 0 1 242.322 2.449 20 0 BEADMN CC(=O)c1cc(-c2nnc(CCC(C)C)o2)[nH]n1 ZINC001258265190 991197865 /nfs/dbraw/zinc/19/78/65/991197865.db2.gz VEQRUUCBGUWLCW-UHFFFAOYSA-N 0 1 248.286 2.251 20 0 BEADMN Cc1cccnc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC001308911243 991213935 /nfs/dbraw/zinc/21/39/35/991213935.db2.gz YYTTXTCDUJXNOC-RKDXNWHRSA-N 0 1 230.233 2.430 20 0 BEADMN C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1noc2c1COCC2 ZINC001308952006 991231706 /nfs/dbraw/zinc/23/17/06/991231706.db2.gz MIUIXMOJSHHXAG-JBLDHEPKSA-N 0 1 248.326 2.026 20 0 BEADMN CSC(C)(C)C[C@@H](C)N1CC2(CCO2)C1 ZINC001258339833 991264444 /nfs/dbraw/zinc/26/44/44/991264444.db2.gz BBEBYYJWOSZWMH-SNVBAGLBSA-N 0 1 229.389 2.381 20 0 BEADMN Cc1ccc(NC(=O)Nc2c[nH]nn2)c(C)c1 ZINC001310068700 991293134 /nfs/dbraw/zinc/29/31/34/991293134.db2.gz CDSADURYQXBIDX-UHFFFAOYSA-N 0 1 231.259 2.066 20 0 BEADMN CCOc1ccncc1CN1CCC2(CC2)C1 ZINC001139626744 991297681 /nfs/dbraw/zinc/29/76/81/991297681.db2.gz UEIQDQKIAOJIAC-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CCOc1ccncc1CN(C)C(C)C ZINC001139627576 991300512 /nfs/dbraw/zinc/30/05/12/991300512.db2.gz VBHZRXKKQHJQMR-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN Cc1nc2cc(C)ccn2c1CN1CCC1 ZINC001139674229 991310550 /nfs/dbraw/zinc/31/05/50/991310550.db2.gz PWDVIAVTQLMTTH-UHFFFAOYSA-N 0 1 215.300 2.157 20 0 BEADMN C[C@H]([C@H](C)O)N1CCc2cccc(Cl)c2C1 ZINC001559897947 991311746 /nfs/dbraw/zinc/31/17/46/991311746.db2.gz BUVPJLLOXWASGA-ZJUUUORDSA-N 0 1 239.746 2.467 20 0 BEADMN CCC1CCN(Cc2cn3ccncc3n2)CC1 ZINC001139694266 991323410 /nfs/dbraw/zinc/32/34/10/991323410.db2.gz IFDLYFUVJQVWPI-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN Cc1nnsc1CN1C[C@H]2CCCC[C@H]21 ZINC001559971264 991338784 /nfs/dbraw/zinc/33/87/84/991338784.db2.gz FVVZNZNBGGGFIY-NXEZZACHSA-N 0 1 223.345 2.221 20 0 BEADMN CCCCC(CCCC)N1CCNC(=O)C1 ZINC001258385177 991341314 /nfs/dbraw/zinc/34/13/14/991341314.db2.gz RCARYQYZZCZWON-UHFFFAOYSA-N 0 1 226.364 2.167 20 0 BEADMN CSCCN(C)Cc1cnc2cccnc2c1 ZINC001139744371 991352731 /nfs/dbraw/zinc/35/27/31/991352731.db2.gz COWDCNLCVXSXCK-UHFFFAOYSA-N 0 1 247.367 2.425 20 0 BEADMN Cc1cnc(CN2C[C@H](CO)CC[C@@H]2C)s1 ZINC001139809296 991374510 /nfs/dbraw/zinc/37/45/10/991374510.db2.gz VNPHYQAUTGULCX-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CC[C@H]3OCC[C@H]3C2)s1 ZINC001139813721 991377035 /nfs/dbraw/zinc/37/70/35/991377035.db2.gz LJABSKSTPPRNJC-WDEREUQCSA-N 0 1 238.356 2.062 20 0 BEADMN COc1ncc(CN(C)C2CC(C)C2)s1 ZINC001139814529 991379939 /nfs/dbraw/zinc/37/99/39/991379939.db2.gz GNEDOXTYGFQFQQ-UHFFFAOYSA-N 0 1 226.345 2.382 20 0 BEADMN COCc1ccc(CN2CC[C@@H]2C)s1 ZINC001139824272 991380161 /nfs/dbraw/zinc/38/01/61/991380161.db2.gz SCMICJZNSOGFGY-VIFPVBQESA-N 0 1 211.330 2.489 20 0 BEADMN CCCCC[C@H](CC)N1CCNC(=O)[C@H]1C ZINC001258444760 991385230 /nfs/dbraw/zinc/38/52/30/991385230.db2.gz BCTVKPZLSCALSF-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@]1(CF)CCN(Cc2ccnc(F)c2)C1 ZINC001139830989 991386591 /nfs/dbraw/zinc/38/65/91/991386591.db2.gz NZYIKHZREYKVOJ-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@@H](NCc1nc(CC2CC2)no1)C1(C)CC1 ZINC001560200130 991409776 /nfs/dbraw/zinc/40/97/76/991409776.db2.gz NCKPKVNARHCIOO-SECBINFHSA-N 0 1 235.331 2.300 20 0 BEADMN CCOC(=O)CN([C@H](C)CC1CC1)C1CC1 ZINC001258469384 991437660 /nfs/dbraw/zinc/43/76/60/991437660.db2.gz BBQYUCOKMDICBK-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001317043910 991443339 /nfs/dbraw/zinc/44/33/39/991443339.db2.gz KINQRUPMYZYQTA-BETUJISGSA-N 0 1 238.375 2.262 20 0 BEADMN CCOC(=O)CC[C@H](C)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001258491833 991461812 /nfs/dbraw/zinc/46/18/12/991461812.db2.gz ODFWPGAOPVPTKO-FIQHERPVSA-N 0 1 243.322 2.008 20 0 BEADMN c1nscc1CNCc1ccc2c(c1)COC2 ZINC001560377891 991464869 /nfs/dbraw/zinc/46/48/69/991464869.db2.gz TVKIXOVPORCQGL-UHFFFAOYSA-N 0 1 246.335 2.463 20 0 BEADMN CCCC1CCC(N2CC(=O)N[C@@H](C)C2)CC1 ZINC001258530838 991478587 /nfs/dbraw/zinc/47/85/87/991478587.db2.gz NMNNUXQSSWWTRO-HIFPTAJRSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCN(Cc2ccnc(SC)n2)C1 ZINC001140038758 991493000 /nfs/dbraw/zinc/49/30/00/991493000.db2.gz HSHVZRAHSZGZRP-SNVBAGLBSA-N 0 1 237.372 2.430 20 0 BEADMN Cc1cc(CNc2cccc3nccnc32)n[nH]1 ZINC001560564325 991502157 /nfs/dbraw/zinc/50/21/57/991502157.db2.gz USTRRMQPUUJKBW-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN COCCN(C)Cc1cccc(Cl)c1OC ZINC001140056387 991511801 /nfs/dbraw/zinc/51/18/01/991511801.db2.gz URCJPLQAMTVJRC-UHFFFAOYSA-N 0 1 243.734 2.427 20 0 BEADMN CN(CCc1cccnc1)Cc1cccc(F)n1 ZINC001140134375 991537983 /nfs/dbraw/zinc/53/79/83/991537983.db2.gz UVSCGBCEVYXRRQ-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CN(Cc1cc(-c2ccccn2)n[nH]1)C1CC1 ZINC001560637659 991538008 /nfs/dbraw/zinc/53/80/08/991538008.db2.gz KNHSNLJUHRDMIQ-UHFFFAOYSA-N 0 1 228.299 2.066 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CC[C@H](F)C1 ZINC001258622300 991551550 /nfs/dbraw/zinc/55/15/50/991551550.db2.gz JZGVQBIHSHWKCZ-JQWIXIFHSA-N 0 1 208.280 2.056 20 0 BEADMN CC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)Cc1cccnc1 ZINC001258633136 991576978 /nfs/dbraw/zinc/57/69/78/991576978.db2.gz PYFYQEDGXJICLG-RISCZKNCSA-N 0 1 232.327 2.066 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@H](C)Cc1cccnc1 ZINC001258633136 991576993 /nfs/dbraw/zinc/57/69/93/991576993.db2.gz PYFYQEDGXJICLG-RISCZKNCSA-N 0 1 232.327 2.066 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@H](C)Cc1cccnc1 ZINC001258633782 991577571 /nfs/dbraw/zinc/57/75/71/991577571.db2.gz JUFIDMRDYGHAFH-DOMZBBRYSA-N 0 1 246.354 2.456 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC001317723038 991578958 /nfs/dbraw/zinc/57/89/58/991578958.db2.gz AYHDJNYACWEERH-NWDGAFQWSA-N 0 1 235.331 2.390 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140277380 991584322 /nfs/dbraw/zinc/58/43/22/991584322.db2.gz XFXURAKWVDSLSC-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@H]1CCN(Cc2nc(CO)cs2)[C@H]1C ZINC001560772860 991592166 /nfs/dbraw/zinc/59/21/66/991592166.db2.gz JMFTWYHSXSPOOZ-UWVGGRQHSA-N 0 1 240.372 2.256 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccncc2[O-])C2(CC2)C1 ZINC001140280191 991600931 /nfs/dbraw/zinc/60/09/31/991600931.db2.gz CQZNGESROWVPIK-JTQLQIEISA-N 0 1 218.300 2.162 20 0 BEADMN Cc1ccc2[nH]nc(CN3CC(C)C3)c2c1 ZINC001140328618 991605301 /nfs/dbraw/zinc/60/53/01/991605301.db2.gz IMMGPABIMXSTOD-UHFFFAOYSA-N 0 1 215.300 2.323 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC(C)C3)c2c1 ZINC001140328618 991605306 /nfs/dbraw/zinc/60/53/06/991605306.db2.gz IMMGPABIMXSTOD-UHFFFAOYSA-N 0 1 215.300 2.323 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCO[C@@H](C)C3)c2c1 ZINC001140328597 991607568 /nfs/dbraw/zinc/60/75/68/991607568.db2.gz HQWAAAVINCOMMP-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CCN(Cc1ccccc1)Cc1ccncn1 ZINC001140346371 991614416 /nfs/dbraw/zinc/61/44/16/991614416.db2.gz QNNGGHJQNDXPRW-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)Cc1ccno1 ZINC001560831147 991615568 /nfs/dbraw/zinc/61/55/68/991615568.db2.gz GGZWAMSOMLVYHY-QWRGUYRKSA-N 0 1 248.330 2.173 20 0 BEADMN CCOc1ccc2c(c1)CN(CCOC)CC2 ZINC001318084097 991621172 /nfs/dbraw/zinc/62/11/72/991621172.db2.gz GSGWACBJGVLYEV-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN CCCn1cncc1CN1C[C@@H](C)[C@@H]1C ZINC001560857260 991626007 /nfs/dbraw/zinc/62/60/07/991626007.db2.gz YYFUMUGNYOODFN-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC3(CC3)C2)c(C)c1C(=O)[O-] ZINC001140500544 991654089 /nfs/dbraw/zinc/65/40/89/991654089.db2.gz DCNFDJJTAXAMMI-UHFFFAOYSA-N 0 1 248.326 2.316 20 0 BEADMN Fc1cccnc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001560951893 991666466 /nfs/dbraw/zinc/66/64/66/991666466.db2.gz VEBCURBRLBBLHV-BZBKMWRSSA-N 0 1 206.264 2.109 20 0 BEADMN C[C@@]1(CN2CCn3cccc3C2)CCCCO1 ZINC001561002699 991684982 /nfs/dbraw/zinc/68/49/82/991684982.db2.gz XVRKQSIQIPWFRN-AWEZNQCLSA-N 0 1 234.343 2.263 20 0 BEADMN CCCC[C@@H](CCC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258762860 991716079 /nfs/dbraw/zinc/71/60/79/991716079.db2.gz DLGUCZRJOQNWEG-TUAOUCFPSA-N 0 1 244.354 2.243 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598412066 991737134 /nfs/dbraw/zinc/73/71/34/991737134.db2.gz YFSLJFZEARDGEH-CHWSQXEVSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@@H](C)C[C@H](CC)N1CC[C@H]1C(=O)OC ZINC001258792697 991776392 /nfs/dbraw/zinc/77/63/92/991776392.db2.gz XPMJEBJYGYWUKE-WOPDTQHZSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)(C)N1CCN(C(=O)C2=CCCC2)CC1 ZINC001319130776 991797241 /nfs/dbraw/zinc/79/72/41/991797241.db2.gz LGJXBASWTHFIPW-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1nc(NC(=O)C=C2CCCCC2)n[nH]1 ZINC001319183147 991811534 /nfs/dbraw/zinc/81/15/34/991811534.db2.gz DGOPLYDLDOJWPW-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CCCCC2)n1 ZINC001319183147 991811540 /nfs/dbraw/zinc/81/15/40/991811540.db2.gz DGOPLYDLDOJWPW-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN Cc1cnc(CN)n1[C@H]1CCC[C@H](C)C1 ZINC001258808581 991815349 /nfs/dbraw/zinc/81/53/49/991815349.db2.gz RLRGBUFPQRALSA-ONGXEEELSA-N 0 1 207.321 2.401 20 0 BEADMN CC(C)c1ncc(C(=O)N2C3CCC2CC3)[nH]1 ZINC001319261636 991828148 /nfs/dbraw/zinc/82/81/48/991828148.db2.gz QZQBCOXLSQREIR-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN COCc1nn([C@@H]2CCC[C@H](C)C2)c2c1CNC2 ZINC001258818683 991837127 /nfs/dbraw/zinc/83/71/27/991837127.db2.gz AHWNCEBISBKKJJ-WDEREUQCSA-N 0 1 249.358 2.384 20 0 BEADMN CCCC1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001319334753 991841647 /nfs/dbraw/zinc/84/16/47/991841647.db2.gz YPJJLGVAVFKDDZ-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H]1CCC[C@@H](N2CCn3nccc3C2)C1 ZINC001258828204 991854588 /nfs/dbraw/zinc/85/45/88/991854588.db2.gz JMYXTPWRQOAHHY-NWDGAFQWSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@H](Cc1ccccc1)n1c(C)nnc1CN ZINC001258844794 991880030 /nfs/dbraw/zinc/88/00/30/991880030.db2.gz SJSSYEMPKHKPGQ-CYBMUJFWSA-N 0 1 244.342 2.239 20 0 BEADMN C[N@@H+](CC1=CCCC1)C(C)(C)CC(=O)[O-] ZINC001598446465 991881173 /nfs/dbraw/zinc/88/11/73/991881173.db2.gz FYCMOUUPDHKZBK-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN C[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC(C)(C)C1 ZINC001598447354 991887717 /nfs/dbraw/zinc/88/77/17/991887717.db2.gz CCRJMZDGHMQGIZ-IUCAKERBSA-N 0 1 247.285 2.073 20 0 BEADMN O[C@H](CN1CC[C@H]2C[C@H]21)c1cccc(Cl)c1 ZINC001319553393 991892043 /nfs/dbraw/zinc/89/20/43/991892043.db2.gz TUUKBXRHJSRGPP-ZWKOPEQDSA-N 0 1 237.730 2.468 20 0 BEADMN CC(C)CC(N)=[NH+]OCc1occc1C(=O)[O-] ZINC001591160760 991908082 /nfs/dbraw/zinc/90/80/82/991908082.db2.gz BDBGRZZJJGVSLK-UHFFFAOYSA-N 0 1 240.259 2.022 20 0 BEADMN C=C/C=C\CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001567068285 991939907 /nfs/dbraw/zinc/93/99/07/991939907.db2.gz FBMDXHGFXISZQL-YHQHFJRFSA-N 0 1 236.359 2.060 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@H]2C)[nH]n1 ZINC001319711970 991944938 /nfs/dbraw/zinc/94/49/38/991944938.db2.gz NFZYKRQEMVHTIO-NXEZZACHSA-N 0 1 225.361 2.044 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001319730210 991953694 /nfs/dbraw/zinc/95/36/94/991953694.db2.gz YLXGOQIGGXOCKF-GFCCVEGCSA-N 0 1 239.388 2.436 20 0 BEADMN CCC(=O)NCCN(C)C/C=C/c1ccccc1 ZINC001567266696 991974802 /nfs/dbraw/zinc/97/48/02/991974802.db2.gz MSULVAVLKZMJJG-JXMROGBWSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cc(CN[C@@H](c2cccnc2)C2CC2)[nH]n1 ZINC001319838870 992003497 /nfs/dbraw/zinc/00/34/97/992003497.db2.gz FVLWMZYQQWBUDI-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN Cc1cc(CNc2cccc3c2OCO3)n[nH]1 ZINC001320002633 992067698 /nfs/dbraw/zinc/06/76/98/992067698.db2.gz QUNRREQEVXHCFK-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN Cc1n[nH]c(=O)c(CN[C@@H](C)c2ccoc2)c1C ZINC001320025711 992076968 /nfs/dbraw/zinc/07/69/68/992076968.db2.gz HLVPCMPXRIUHSQ-JTQLQIEISA-N 0 1 247.298 2.243 20 0 BEADMN C[N@@H+](CCCCCF)C(C)(C)CC(=O)[O-] ZINC001598476581 992087276 /nfs/dbraw/zinc/08/72/76/992087276.db2.gz HUAZJFDZGFUAFR-UHFFFAOYSA-N 0 1 219.300 2.311 20 0 BEADMN CCCCCC(=O)NC1CN(CC2CCC2)C1 ZINC001567783653 992092066 /nfs/dbraw/zinc/09/20/66/992092066.db2.gz NVEDRSDRSJEWLH-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)C(C)(C)CC)C1 ZINC001567805320 992098299 /nfs/dbraw/zinc/09/82/99/992098299.db2.gz WJKXNTLHDSSADC-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN Cc1c(C(=O)N2CCCCC2)ccc2cncn21 ZINC001320127410 992110278 /nfs/dbraw/zinc/11/02/78/992110278.db2.gz JIAYNMXHTODTGM-UHFFFAOYSA-N 0 1 243.310 2.269 20 0 BEADMN CCc1nc(NC(=O)[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC001320144203 992114475 /nfs/dbraw/zinc/11/44/75/992114475.db2.gz TYRVVANIBPOTAL-QMMMGPOBSA-N 0 1 248.286 2.011 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](C)c2ccc(C)o2)n1 ZINC001320144203 992114481 /nfs/dbraw/zinc/11/44/81/992114481.db2.gz TYRVVANIBPOTAL-QMMMGPOBSA-N 0 1 248.286 2.011 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)c2ccncc2)n[nH]1 ZINC001320139900 992114722 /nfs/dbraw/zinc/11/47/22/992114722.db2.gz NWWAYCAWKIAOJM-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN CC(C)=CCC[C@H](C)CCN1CC(O)C1 ZINC000362309965 992189536 /nfs/dbraw/zinc/18/95/36/992189536.db2.gz VAKMNIYTPWOFHU-LBPRGKRZSA-N 0 1 211.349 2.436 20 0 BEADMN CCOC(=O)C[C@H]1CCCN1C/C=C\Cl ZINC001320584757 992259938 /nfs/dbraw/zinc/25/99/38/992259938.db2.gz RFHSJKFDUUQELK-AYYIZTPMSA-N 0 1 231.723 2.157 20 0 BEADMN COCCC1(C)CN(Cc2ncccc2C)C1 ZINC001261298183 992260632 /nfs/dbraw/zinc/26/06/32/992260632.db2.gz CAMMIQSLANWFQE-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C(F)=C2CCC2)n1 ZINC001261436484 992305532 /nfs/dbraw/zinc/30/55/32/992305532.db2.gz CQKRCVOLADHZDI-UHFFFAOYSA-N 0 1 238.266 2.274 20 0 BEADMN CC(C)c1nc(NC(=O)C(F)=C2CCC2)n[nH]1 ZINC001261436484 992305547 /nfs/dbraw/zinc/30/55/47/992305547.db2.gz CQKRCVOLADHZDI-UHFFFAOYSA-N 0 1 238.266 2.274 20 0 BEADMN C(=C\C1CC1)\CNCc1cc2n(n1)CCCC2 ZINC001261553747 992380079 /nfs/dbraw/zinc/38/00/79/992380079.db2.gz JDINRKUWXKDDMD-ARJAWSKDSA-N 0 1 231.343 2.275 20 0 BEADMN C(=C/C1CC1)\CNCc1cc2n(n1)CCCC2 ZINC001261553748 992382652 /nfs/dbraw/zinc/38/26/52/992382652.db2.gz JDINRKUWXKDDMD-ONEGZZNKSA-N 0 1 231.343 2.275 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)OCc1nnc[nH]1 ZINC001261582947 992405520 /nfs/dbraw/zinc/40/55/20/992405520.db2.gz KESOEKSDCHVSBS-ZJUUUORDSA-N 0 1 237.303 2.064 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H](C)C2CC2)n[nH]1 ZINC001261585605 992406288 /nfs/dbraw/zinc/40/62/88/992406288.db2.gz CVVABVGKZVRFIE-YUMQZZPRSA-N 0 1 237.303 2.017 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)OCc1nnc[nH]1 ZINC001261584858 992406741 /nfs/dbraw/zinc/40/67/41/992406741.db2.gz LDBAEHVRVBVAGI-SECBINFHSA-N 0 1 237.303 2.064 20 0 BEADMN CC1(C)CCC(C(=O)OCc2nnc[nH]2)CC1 ZINC001261586355 992406935 /nfs/dbraw/zinc/40/69/35/992406935.db2.gz ZJUIHBUCQZLGHR-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN CCCCC[C@@H](CC)C(=O)OCc1nnc[nH]1 ZINC001261586452 992407996 /nfs/dbraw/zinc/40/79/96/992407996.db2.gz BMCNARNUNYBBJL-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN O=C(OCc1nnc[nH]1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001261589273 992412814 /nfs/dbraw/zinc/41/28/14/992412814.db2.gz ABRIJARVSUDBBD-GHMZBOCLSA-N 0 1 249.314 2.064 20 0 BEADMN C1CC(c2nc([C@H]3CN4CCC3CC4)no2)C1 ZINC001321126814 992465675 /nfs/dbraw/zinc/46/56/75/992465675.db2.gz XPVHRTBPCNVTSD-NSHDSACASA-N 0 1 233.315 2.146 20 0 BEADMN COC(=O)c1ccc(NCc2cc(C)[nH]n2)cc1 ZINC001321146894 992469118 /nfs/dbraw/zinc/46/91/18/992469118.db2.gz UPXMYTSNJMUETJ-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CC1(CN2CCn3cncc3C2)CCCC1 ZINC001262011019 992597873 /nfs/dbraw/zinc/59/78/73/992597873.db2.gz VYHUNJBBRNFPMD-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)C(=O)[O-] ZINC001573388844 992612100 /nfs/dbraw/zinc/61/21/00/992612100.db2.gz NOABCRBBTUMYDY-AUSMANPISA-N 0 1 249.354 2.385 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC(F)CC2)[nH]1 ZINC001262027526 992616327 /nfs/dbraw/zinc/61/63/27/992616327.db2.gz HFAYCJCJBATUQW-UHFFFAOYSA-N 0 1 239.294 2.107 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC12CCC2 ZINC001262047705 992630880 /nfs/dbraw/zinc/63/08/80/992630880.db2.gz VXDNTARJTCDHPV-STQMWFEESA-N 0 1 244.338 2.054 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC12CCC2 ZINC001573735719 992689770 /nfs/dbraw/zinc/68/97/70/992689770.db2.gz HTSLGWMXBWWKLM-ZYHUDNBSSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC12CCC2 ZINC001573735716 992693203 /nfs/dbraw/zinc/69/32/03/992693203.db2.gz HTSLGWMXBWWKLM-CMPLNLGQSA-N 0 1 237.343 2.362 20 0 BEADMN CCC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H](C)C(=O)[O-] ZINC001573752411 992695472 /nfs/dbraw/zinc/69/54/72/992695472.db2.gz JOVILGNZILQNNZ-WDEREUQCSA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573770316 992709711 /nfs/dbraw/zinc/70/97/11/992709711.db2.gz OVYUKGWYCLWQMU-JULQROHOSA-N 0 1 239.359 2.464 20 0 BEADMN CC[C@H]1C[N@@H+](CCC2CCC2)C[C@]1(F)C(=O)[O-] ZINC001573824913 992725501 /nfs/dbraw/zinc/72/55/01/992725501.db2.gz VKQQAZZLJPZIOC-WCQYABFASA-N 0 1 243.322 2.311 20 0 BEADMN CC(C)=CC[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001262163371 992726926 /nfs/dbraw/zinc/72/69/26/992726926.db2.gz QVWIWUKDTRVYAD-SECBINFHSA-N 0 1 240.328 2.042 20 0 BEADMN CNc1ccc(C)cc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC001573910739 992765106 /nfs/dbraw/zinc/76/51/06/992765106.db2.gz UNKOJVLYHAGACO-CYBMUJFWSA-N 0 1 248.326 2.086 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001573910223 992767845 /nfs/dbraw/zinc/76/78/45/992767845.db2.gz IMVVLACKPCOXEK-GFCCVEGCSA-N 0 1 248.326 2.167 20 0 BEADMN C[C@@H](NCCC1CCOCC1)c1ncco1 ZINC001262187801 992779044 /nfs/dbraw/zinc/77/90/44/992779044.db2.gz XLHCPAAKHMXHOC-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN COC[C@H](CSc1nnc(C)[nH]1)C(C)C ZINC001262191251 992783816 /nfs/dbraw/zinc/78/38/16/992783816.db2.gz OTFWPEKDPCEKFP-SECBINFHSA-N 0 1 229.349 2.124 20 0 BEADMN COCC[N@@H+](CC(C)C)CC(C)(C)CC(=O)[O-] ZINC001573983999 992789196 /nfs/dbraw/zinc/78/91/96/992789196.db2.gz FGAMDBZKDOENSN-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN Cc1nonc1[C@@H](C)NC1CC2(CC2(F)F)C1 ZINC001262205322 992799350 /nfs/dbraw/zinc/79/93/50/992799350.db2.gz PWAQMBBICDXKHK-CACVWYNPSA-N 0 1 243.257 2.216 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC001574154930 992813898 /nfs/dbraw/zinc/81/38/98/992813898.db2.gz XQZHHMSBTJNLSK-CQSZACIVSA-N 0 1 247.338 2.395 20 0 BEADMN C(c1nc(C2CC2)no1)N1C[C@@H]2C[C@H]1CCC2 ZINC001262335065 992840555 /nfs/dbraw/zinc/84/05/55/992840555.db2.gz QEURNAUODOASRM-GXSJLCMTSA-N 0 1 233.315 2.321 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001262338972 992842390 /nfs/dbraw/zinc/84/23/90/992842390.db2.gz HOTXPTCBHPHYLO-LHLIQPBNSA-N 0 1 241.237 2.199 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001262338974 992844070 /nfs/dbraw/zinc/84/40/70/992844070.db2.gz HOTXPTCBHPHYLO-WKEGUHRASA-N 0 1 241.237 2.199 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1nc(C)c(C)s1 ZINC001262360864 992857687 /nfs/dbraw/zinc/85/76/87/992857687.db2.gz TUGBQRIYIITCMX-KCJUWKMLSA-N 0 1 242.388 2.257 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1nc(C)c(C)s1 ZINC001262360865 992858364 /nfs/dbraw/zinc/85/83/64/992858364.db2.gz TUGBQRIYIITCMX-KWQFWETISA-N 0 1 242.388 2.257 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1nc(C)c(C)s1 ZINC001262360866 992858872 /nfs/dbraw/zinc/85/88/72/992858872.db2.gz TUGBQRIYIITCMX-LDYMZIIASA-N 0 1 242.388 2.257 20 0 BEADMN CCCSC[C@H](C)NCc1ccn(C)n1 ZINC001262363959 992859141 /nfs/dbraw/zinc/85/91/41/992859141.db2.gz IUTVRPIYMCKBIE-JTQLQIEISA-N 0 1 227.377 2.041 20 0 BEADMN CC[C@@H](C)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574473657 992868282 /nfs/dbraw/zinc/86/82/82/992868282.db2.gz BAHGVKGOFIAVQZ-RHYQMDGZSA-N 0 1 225.332 2.360 20 0 BEADMN C=C/C=C/CCNC(=O)[C@H](N)c1ccccc1C ZINC001574888968 992938006 /nfs/dbraw/zinc/93/80/06/992938006.db2.gz NCVQIIYRYAIKEZ-ISZGNANSSA-N 0 1 244.338 2.243 20 0 BEADMN NCc1nccnc1NCCC[C@H]1C=CCC1 ZINC001262704345 993047106 /nfs/dbraw/zinc/04/71/06/993047106.db2.gz RPAVRNDCUCSKMQ-NSHDSACASA-N 0 1 232.331 2.094 20 0 BEADMN CC(C)CCOC(=O)N1CCNC[C@@H]1C(C)C ZINC001575575151 993075525 /nfs/dbraw/zinc/07/55/25/993075525.db2.gz YHPAFFRKOKLCKZ-GFCCVEGCSA-N 0 1 242.363 2.099 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)CCC1(C)CC1 ZINC001263165193 993142670 /nfs/dbraw/zinc/14/26/70/993142670.db2.gz UNUQHBLYHRXWRJ-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCC1(NC(=O)c2coc(CN)c2)CC1 ZINC001263245927 993182636 /nfs/dbraw/zinc/18/26/36/993182636.db2.gz ARNXRGOOXRMSHS-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN N#Cc1ccc(CNC/C=C\C2CC2)o1 ZINC000378802612 993205788 /nfs/dbraw/zinc/20/57/88/993205788.db2.gz UZXFPCRJFJYCNG-UPHRSURJSA-N 0 1 202.257 2.207 20 0 BEADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1coc(C)n1 ZINC000585380607 993259941 /nfs/dbraw/zinc/25/99/41/993259941.db2.gz ZYADTHOUAIHZAY-FUNVUKJBSA-N 0 1 236.315 2.125 20 0 BEADMN OCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586894756 993415363 /nfs/dbraw/zinc/41/53/63/993415363.db2.gz TZNWSNDSAPFXEI-UHFFFAOYSA-N 0 1 248.179 2.256 20 0 BEADMN C[C@@]1(CO)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000381760895 993423474 /nfs/dbraw/zinc/42/34/74/993423474.db2.gz OPRWHHAYOSVHFR-CYBMUJFWSA-N 0 1 241.281 2.169 20 0 BEADMN COC(=O)c1coc(CNC/C=C/C2CC2)c1 ZINC000383105599 993480929 /nfs/dbraw/zinc/48/09/29/993480929.db2.gz PIZFGAOEBKMZLS-NSCUHMNNSA-N 0 1 235.283 2.122 20 0 BEADMN CC(C)OCCCNc1ccc2c(n1)CCC2 ZINC000383447793 993491584 /nfs/dbraw/zinc/49/15/84/993491584.db2.gz LOSLZMKBQYKONU-UHFFFAOYSA-N 0 1 234.343 2.219 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@H]1F ZINC001263796187 993522998 /nfs/dbraw/zinc/52/29/98/993522998.db2.gz ONINLHWPCYXKJU-DTWKUNHWSA-N 0 1 233.246 2.168 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001263801510 993526741 /nfs/dbraw/zinc/52/67/41/993526741.db2.gz MXAGQUSLNXIPLK-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CCC(C)(C)C2)c1C ZINC001263906137 993591394 /nfs/dbraw/zinc/59/13/94/993591394.db2.gz ZROLUONSHNKUEC-NSHDSACASA-N 0 1 249.358 2.469 20 0 BEADMN CCCCC[C@H](CC)C(=O)N1CCN[C@@H](C)C1 ZINC001577423043 993659016 /nfs/dbraw/zinc/65/90/16/993659016.db2.gz NUBQRNMJWFSUIB-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ncccc1C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000385711289 993665044 /nfs/dbraw/zinc/66/50/44/993665044.db2.gz KZVQHRXJAFKJEQ-ZYHUDNBSSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(CNCc2ccc(C)s2)[nH]n1 ZINC000389857989 993768274 /nfs/dbraw/zinc/76/82/74/993768274.db2.gz BVUWTDAMUAVHKJ-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN Cc1ccc(CNCc2cnccn2)cc1C ZINC000700501090 993837219 /nfs/dbraw/zinc/83/72/19/993837219.db2.gz DDLPRLRVLLXTES-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCC(=O)NCCN[C@@H](C)c1ccccc1F ZINC000393158922 993907017 /nfs/dbraw/zinc/90/70/17/993907017.db2.gz ISRDCQZBOXRBOV-JTQLQIEISA-N 0 1 238.306 2.003 20 0 BEADMN N#Cc1cc(F)cc(CN2CCC[C@H](O)CC2)c1 ZINC000393168626 993910317 /nfs/dbraw/zinc/91/03/17/993910317.db2.gz DECJNKRZDOFXIT-AWEZNQCLSA-N 0 1 248.301 2.044 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2ncccn2)C1 ZINC000702397220 994000952 /nfs/dbraw/zinc/00/09/52/994000952.db2.gz KONUTWFYNSHGPG-WDEREUQCSA-N 0 1 205.305 2.145 20 0 BEADMN CC(C)c1nc(CN[C@@H](CO)C(C)C)cs1 ZINC000702776392 994047858 /nfs/dbraw/zinc/04/78/58/994047858.db2.gz VTKCDUMKSKNWEO-NSHDSACASA-N 0 1 242.388 2.373 20 0 BEADMN Cc1cc(CCC(=O)NCc2cccs2)n[nH]1 ZINC001290075871 994520856 /nfs/dbraw/zinc/52/08/56/994520856.db2.gz BNHZFLRVEHPLJN-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN CCC[C@H](C)N(C)C(=O)CCN1CC[C@H](F)C1 ZINC001290874157 994563285 /nfs/dbraw/zinc/56/32/85/994563285.db2.gz HKZCHYQYVHDISQ-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H](Nc1nccnc1CN)c1cccs1 ZINC001307094819 994587057 /nfs/dbraw/zinc/58/70/57/994587057.db2.gz RHKZEJYATUZHDC-QMMMGPOBSA-N 0 1 234.328 2.170 20 0 BEADMN CCN1CC[C@@H]1C(=O)N1CCC[C@@H]1CC(C)C ZINC001292677590 994623882 /nfs/dbraw/zinc/62/38/82/994623882.db2.gz SWVGVKVEQUCBEA-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CSc1ccncc1NC(=O)c1[nH]cnc1C ZINC001294343558 994693097 /nfs/dbraw/zinc/69/30/97/994693097.db2.gz FPOLLEXHZNDLTK-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C)cc(F)c1 ZINC001294735357 994710450 /nfs/dbraw/zinc/71/04/50/994710450.db2.gz JIHAITSUFLHFGX-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN C[C@@H](C(=O)N1CC(N(C)C)C1)[C@H](C)C(C)(C)C ZINC001295881946 994788122 /nfs/dbraw/zinc/78/81/22/994788122.db2.gz NRFWMEKMMJAONH-MNOVXSKESA-N 0 1 240.391 2.077 20 0 BEADMN C[C@H](C(=O)N1CC(N(C)C)C1)[C@H](C)C(C)(C)C ZINC001295881948 994789406 /nfs/dbraw/zinc/78/94/06/994789406.db2.gz NRFWMEKMMJAONH-QWRGUYRKSA-N 0 1 240.391 2.077 20 0 BEADMN Nc1nccc(NC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC001336666222 995071891 /nfs/dbraw/zinc/07/18/91/995071891.db2.gz QINABFKWQDSNPE-WDEREUQCSA-N 0 1 232.331 2.297 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1c1nccnc1CN ZINC001337066796 995134215 /nfs/dbraw/zinc/13/42/15/995134215.db2.gz LZGNZJBREWMZQI-WCQYABFASA-N 0 1 248.374 2.340 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H]2C[C@H]2C(C)C)[nH]1 ZINC001304108352 995190110 /nfs/dbraw/zinc/19/01/10/995190110.db2.gz UGRYTYBKDYBLAN-NWDGAFQWSA-N 0 1 249.358 2.441 20 0 BEADMN CSC(C)(C)C(=O)Nc1ccc2cncn2c1 ZINC001304167654 995196069 /nfs/dbraw/zinc/19/60/69/995196069.db2.gz YENBREGZYAFMDB-UHFFFAOYSA-N 0 1 249.339 2.414 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2nc(C(C)C)no2)[nH]n1 ZINC001337902438 995221568 /nfs/dbraw/zinc/22/15/68/995221568.db2.gz MZFMKDLHQQFUDP-MRVPVSSYSA-N 0 1 249.318 2.268 20 0 BEADMN C[C@H]1CN(C2CC2)CCN1C(=O)CC(C)(C)C ZINC001306860288 995268791 /nfs/dbraw/zinc/26/87/91/995268791.db2.gz ZTTUFYWNLZWFIK-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]([C@H](C)O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001307578181 995407265 /nfs/dbraw/zinc/40/72/65/995407265.db2.gz BTWZZYFHQNPVCD-VNHYZAJKSA-N 0 1 249.354 2.003 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC001307702174 995438887 /nfs/dbraw/zinc/43/88/87/995438887.db2.gz HWHSQFGRIMCQSU-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001307702174 995438891 /nfs/dbraw/zinc/43/88/91/995438891.db2.gz HWHSQFGRIMCQSU-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCOc1nnc(CN[C@@H](C)C2(C)CC2)s1 ZINC001308134355 995563361 /nfs/dbraw/zinc/56/33/61/995563361.db2.gz QJPIBHSEIRONQY-QMMMGPOBSA-N 0 1 241.360 2.215 20 0 BEADMN CCC[C@H]1CCCN1CC(=O)Nc1ccccn1 ZINC001308136882 995565375 /nfs/dbraw/zinc/56/53/75/995565375.db2.gz WVBZXDLSRUCLAU-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN Cn1ccc(CN2CC=CC23CCCCC3)n1 ZINC001308170771 995585232 /nfs/dbraw/zinc/58/52/32/995585232.db2.gz JUOVZCWHHQBHDW-UHFFFAOYSA-N 0 1 231.343 2.495 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC(C)(C)C1 ZINC001593724426 996266226 /nfs/dbraw/zinc/26/62/26/996266226.db2.gz GPICTIIRIRKQMV-MRVPVSSYSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC(C)(C)C1 ZINC001593724426 996266233 /nfs/dbraw/zinc/26/62/33/996266233.db2.gz GPICTIIRIRKQMV-MRVPVSSYSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2occc2C(=O)[O-])C1 ZINC001594044684 997688405 /nfs/dbraw/zinc/68/84/05/997688405.db2.gz BDWDFWAWHGOPJX-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC001594044684 997688413 /nfs/dbraw/zinc/68/84/13/997688413.db2.gz BDWDFWAWHGOPJX-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001594109044 998189656 /nfs/dbraw/zinc/18/96/56/998189656.db2.gz CMKWIBFCGVZGAD-SECBINFHSA-N 0 1 234.299 2.111 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594109693 998195639 /nfs/dbraw/zinc/19/56/39/998195639.db2.gz KCWYRFCPRNKSOX-VIFPVBQESA-N 0 1 235.283 2.376 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001594109692 998196004 /nfs/dbraw/zinc/19/60/04/998196004.db2.gz KCWYRFCPRNKSOX-SECBINFHSA-N 0 1 235.283 2.376 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594109956 998201977 /nfs/dbraw/zinc/20/19/77/998201977.db2.gz OKKGNFCPVCSZRO-SNVBAGLBSA-N 0 1 248.326 2.121 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594109955 998202016 /nfs/dbraw/zinc/20/20/16/998202016.db2.gz OKKGNFCPVCSZRO-JTQLQIEISA-N 0 1 248.326 2.121 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CC2(CCC2)C1 ZINC001594166478 998630866 /nfs/dbraw/zinc/63/08/66/998630866.db2.gz VPEMFUCNGYGUJT-CMPLNLGQSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccn1C1CC1 ZINC001594167064 998641061 /nfs/dbraw/zinc/64/10/61/998641061.db2.gz JCFYERYXNRMOPD-MFKMUULPSA-N 0 1 248.326 2.118 20 0 BEADMN C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(=O)[O-] ZINC001594216707 998833309 /nfs/dbraw/zinc/83/33/09/998833309.db2.gz WZHWKLXVSGIVOA-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)[O-] ZINC001594270486 999045515 /nfs/dbraw/zinc/04/55/15/999045515.db2.gz VCKUSJOKUBNGNI-NTZNESFSSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001594367714 999389960 /nfs/dbraw/zinc/38/99/60/999389960.db2.gz UWLKZSFMUVRUSF-USZNOCQGSA-N 0 1 243.322 2.310 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001594367711 999390034 /nfs/dbraw/zinc/39/00/34/999390034.db2.gz UWLKZSFMUVRUSF-RHYQMDGZSA-N 0 1 243.322 2.310 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001594382920 999444691 /nfs/dbraw/zinc/44/46/91/999444691.db2.gz IFIQGULQIKEPHS-KXUCPTDWSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001594416932 999558722 /nfs/dbraw/zinc/55/87/22/999558722.db2.gz PIFKQQCUGKRROO-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001594416934 999558861 /nfs/dbraw/zinc/55/88/61/999558861.db2.gz PIFKQQCUGKRROO-WOPDTQHZSA-N 0 1 225.332 2.219 20 0 BEADMN c1cncc([C@@H]2CCCN(CC3=NOCC3)C2)c1 ZINC001460302722 1170037707 /nfs/dbraw/zinc/03/77/07/1170037707.db2.gz IHQIYXSROAXJMN-CYBMUJFWSA-N 0 1 245.326 2.037 20 0 BEADMN CCC[C@H](NCc1cnn(C)c1)c1ccccn1 ZINC001620773158 1170114946 /nfs/dbraw/zinc/11/49/46/1170114946.db2.gz OSUXFLGTNBQBCH-ZDUSSCGKSA-N 0 1 244.342 2.446 20 0 BEADMN C[C@@H]1CN(Cc2ccns2)[C@H](C)CCO1 ZINC001620678333 1170145299 /nfs/dbraw/zinc/14/52/99/1170145299.db2.gz RXQVATUXLNPOGR-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@@H+]2CC=C(C)CC2)n1C ZINC001609828315 1170298306 /nfs/dbraw/zinc/29/83/06/1170298306.db2.gz AHHNFBBIQBLWNN-UHFFFAOYSA-N 0 1 248.326 2.184 20 0 BEADMN CCCC[C@H](SC[C@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC001609967208 1170332968 /nfs/dbraw/zinc/33/29/68/1170332968.db2.gz NSXSRLMKPHWMRQ-QWRGUYRKSA-N 0 1 245.388 2.315 20 0 BEADMN C[N@@H+]([C@@H]1C=CCCC1)C(C)(C)CC(=O)[O-] ZINC001610107473 1170349685 /nfs/dbraw/zinc/34/96/85/1170349685.db2.gz YMZWLVYHBLMVNZ-SNVBAGLBSA-N 0 1 211.305 2.280 20 0 BEADMN Cc1cccc2c1C[N@@H+](CCCC(=O)[O-])CC2 ZINC001610526863 1170381609 /nfs/dbraw/zinc/38/16/09/1170381609.db2.gz BOBWUAKMGAGTGO-UHFFFAOYSA-N 0 1 233.311 2.218 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC001610726545 1170407936 /nfs/dbraw/zinc/40/79/36/1170407936.db2.gz UADZSHMTHXSXSB-CYBMUJFWSA-N 0 1 245.322 2.168 20 0 BEADMN CN(Cc1cnc[nH]1)c1nc2ccc(F)cc2o1 ZINC001612600543 1170461492 /nfs/dbraw/zinc/46/14/92/1170461492.db2.gz KCIUUOYJGYYZLY-UHFFFAOYSA-N 0 1 246.245 2.326 20 0 BEADMN c1ccc(C2(NCC3=NOCC3)CCC2)cc1 ZINC001615910475 1170537080 /nfs/dbraw/zinc/53/70/80/1170537080.db2.gz VMMRSQBIYQRYFJ-UHFFFAOYSA-N 0 1 230.311 2.432 20 0 BEADMN C[C@H](N[C@@H](C)C1CCOCC1)c1csnn1 ZINC001616728434 1170566249 /nfs/dbraw/zinc/56/62/49/1170566249.db2.gz DXYBRIVZUCOYMM-IUCAKERBSA-N 0 1 241.360 2.004 20 0 BEADMN CCOC(=O)CN(CC1CC(C)C1)C1CCC1 ZINC001617063477 1170576925 /nfs/dbraw/zinc/57/69/25/1170576925.db2.gz FXZJEGMLFHQKMZ-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@H]1CCN(Cc2nccc(C)n2)[C@@H]1C ZINC001617360034 1170587944 /nfs/dbraw/zinc/58/79/44/1170587944.db2.gz LALXZWSOHMSGDB-NEPJUHHUSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1ccccc1CNC(=O)c1[nH]ncc1F ZINC001618245498 1170625850 /nfs/dbraw/zinc/62/58/50/1170625850.db2.gz JBXYJIVOOIOUGG-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN Cc1cc(CCC(=O)N2CCC(C)=C(C)C2)n[nH]1 ZINC001618320558 1170629088 /nfs/dbraw/zinc/62/90/88/1170629088.db2.gz BDKUOCINQZTPEQ-UHFFFAOYSA-N 0 1 247.342 2.219 20 0 BEADMN Cl/C=C\CN1CCC(c2ncccn2)CC1 ZINC001620595796 1170687697 /nfs/dbraw/zinc/68/76/97/1170687697.db2.gz NRNBYDMGTOHMMT-KTAJNNJTSA-N 0 1 237.734 2.409 20 0 BEADMN Cc1nc(CNC2([C@@H]3CCCO3)CCC2)[nH]c1C ZINC001620671591 1170698015 /nfs/dbraw/zinc/69/80/15/1170698015.db2.gz OVIXDGBXJFSIAX-LBPRGKRZSA-N 0 1 249.358 2.218 20 0 BEADMN Cc1ncsc1CNCc1cc(C)c[nH]c1=O ZINC001621094589 1170714123 /nfs/dbraw/zinc/71/41/23/1170714123.db2.gz FZGUSTBXUHCQMR-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN OCc1ccc(CNCc2ccncc2F)cc1 ZINC001621408769 1170802523 /nfs/dbraw/zinc/80/25/23/1170802523.db2.gz HOINSWDDBJTCIT-UHFFFAOYSA-N 0 1 246.285 2.003 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1ncccc1F ZINC001621422842 1170804766 /nfs/dbraw/zinc/80/47/66/1170804766.db2.gz FLYDZHDCWUCYAF-GWCFXTLKSA-N 0 1 240.322 2.107 20 0 BEADMN FC[C@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001621495870 1170827872 /nfs/dbraw/zinc/82/78/72/1170827872.db2.gz FTEVPSIKCAINEW-SNVBAGLBSA-N 0 1 223.295 2.009 20 0 BEADMN CC(C)c1ncc(CNC(=O)N(C)C(C)C)[nH]1 ZINC001622611683 1170894057 /nfs/dbraw/zinc/89/40/57/1170894057.db2.gz XZVJAMPAYUTSPS-UHFFFAOYSA-N 0 1 238.335 2.083 20 0 BEADMN CCC[C@@H]([NH2+]Cc1csc(CC)n1)C(=O)[O-] ZINC000036838735 1170919181 /nfs/dbraw/zinc/91/91/81/1170919181.db2.gz ZZKRGKVFMJYQGQ-SECBINFHSA-N 0 1 242.344 2.048 20 0 BEADMN CCC[C@H]([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000036839942 1170918497 /nfs/dbraw/zinc/91/84/97/1170918497.db2.gz IPMVBTIVLSBEAB-JTQLQIEISA-N 0 1 248.282 2.171 20 0 BEADMN CCC=C(F)C(=O)Nc1cccc2[nH]nnc21 ZINC001624599149 1171048200 /nfs/dbraw/zinc/04/82/00/1171048200.db2.gz GBTDUWWQWJUZJD-DAXSKMNVSA-N 0 1 234.234 2.160 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)[C@H]1CCN1CC ZINC001625750293 1171114714 /nfs/dbraw/zinc/11/47/14/1171114714.db2.gz BNPBWRLBNNXFNK-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN O=C(Nc1cc[nH]n1)c1ccc(Cl)c(O)c1 ZINC001627367021 1171166020 /nfs/dbraw/zinc/16/60/20/1171166020.db2.gz BLQUAYDJOFPAMK-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN Cc1cc(CCC(=O)NC2(C3CCC3)CC2)n[nH]1 ZINC001628328131 1171226973 /nfs/dbraw/zinc/22/69/73/1171226973.db2.gz OWFIGOKCGDXDKU-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN O=C(NC1CCCCCCC1)c1[nH]ncc1F ZINC001628368800 1171227844 /nfs/dbraw/zinc/22/78/44/1171227844.db2.gz DXPAYPXRIYZWRP-UHFFFAOYSA-N 0 1 239.294 2.392 20 0 BEADMN O=C(Nc1ccccc1F)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001628393392 1171232119 /nfs/dbraw/zinc/23/21/19/1171232119.db2.gz FJXLRRNPZLPJNR-RKDXNWHRSA-N 0 1 245.257 2.291 20 0 BEADMN COC(=O)CCCN(Cc1ccco1)C1CC1 ZINC000042693099 1171248250 /nfs/dbraw/zinc/24/82/50/1171248250.db2.gz XFOMOGVBVJIFSI-UHFFFAOYSA-N 0 1 237.299 2.197 20 0 BEADMN C/C(Cl)=C\C(=O)NCc1ccc2cncn2c1 ZINC001629525780 1171324564 /nfs/dbraw/zinc/32/45/64/1171324564.db2.gz QFJDGTNBWJVZMP-RUDMXATFSA-N 0 1 249.701 2.093 20 0 BEADMN C=C/C=C\CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001629890409 1171353323 /nfs/dbraw/zinc/35/33/23/1171353323.db2.gz HYKKTNOBMXZLMM-BYCRGOAPSA-N 0 1 231.299 2.036 20 0 BEADMN CC/C(C)=C/C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001631499623 1171460472 /nfs/dbraw/zinc/46/04/72/1171460472.db2.gz WNFLAZZFEMDPRI-YHDXHSTISA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001631663215 1171469248 /nfs/dbraw/zinc/46/92/48/1171469248.db2.gz WDKJALTUXMZEJI-AWEZNQCLSA-N 0 1 249.358 2.299 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1c(C)cccc1F ZINC001631750538 1171474978 /nfs/dbraw/zinc/47/49/78/1171474978.db2.gz JVSLPBQCGPKMOC-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CCc1ccc(O)c(NC(=O)c2[nH]cnc2C)c1 ZINC001633107021 1171558856 /nfs/dbraw/zinc/55/88/56/1171558856.db2.gz GWHVCMWQHRDPEX-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCN(CC1CCC1)C(=O)CCc1cc(C)[nH]n1 ZINC001633784838 1171605274 /nfs/dbraw/zinc/60/52/74/1171605274.db2.gz MITLNQLFDPTWGY-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001634002871 1171614978 /nfs/dbraw/zinc/61/49/78/1171614978.db2.gz CPXBOUHFZJKKRO-IUCAKERBSA-N 0 1 239.294 2.247 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001634002873 1171616113 /nfs/dbraw/zinc/61/61/13/1171616113.db2.gz CPXBOUHFZJKKRO-RKDXNWHRSA-N 0 1 239.294 2.247 20 0 BEADMN CN[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000048655210 1171632533 /nfs/dbraw/zinc/63/25/33/1171632533.db2.gz YXJIZIMNONQOST-VIFPVBQESA-N 0 1 217.272 2.325 20 0 BEADMN Cc1cccc(C)c1NC(=O)c1cnncc1O ZINC001634762553 1171678349 /nfs/dbraw/zinc/67/83/49/1171678349.db2.gz DUWYZOCMSPFUKH-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CN[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538290 1171700797 /nfs/dbraw/zinc/70/07/97/1171700797.db2.gz JSEPREHJNQGELP-MRVPVSSYSA-N 0 1 203.245 2.017 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC23CCC3)n[nH]1 ZINC001635496432 1171731911 /nfs/dbraw/zinc/73/19/11/1171731911.db2.gz NPECADKSFQIMCB-UHFFFAOYSA-N 0 1 247.342 2.196 20 0 BEADMN CCCN(CC(=O)OCC)[C@H](C)CC ZINC000050051975 1171759694 /nfs/dbraw/zinc/75/96/94/1171759694.db2.gz LICRIKSWBHASNL-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN C[C@@H](C(=O)NCCN1CCC1)[C@@H](C)C(C)(C)C ZINC001636875525 1171889234 /nfs/dbraw/zinc/88/92/34/1171889234.db2.gz JZSURVQDONQICG-VXGBXAGGSA-N 0 1 240.391 2.127 20 0 BEADMN C[C@H](C(=O)NCCN1CCC1)[C@H](C)C(C)(C)C ZINC001636875524 1171890031 /nfs/dbraw/zinc/89/00/31/1171890031.db2.gz JZSURVQDONQICG-RYUDHWBXSA-N 0 1 240.391 2.127 20 0 BEADMN CCC(C)(CC)NC(=O)c1[nH]nc(C)c1C ZINC000265301912 168310536 /nfs/dbraw/zinc/31/05/36/168310536.db2.gz MPFJRAHFIOPODM-UHFFFAOYSA-N 0 1 223.320 2.335 20 0 BEADMN Cn1ccc(CN2CCC[C@@](C)(F)C2)c1 ZINC000296003223 398136541 /nfs/dbraw/zinc/13/65/41/398136541.db2.gz LAUJIGVZLJUWEY-GFCCVEGCSA-N 0 1 210.296 2.349 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CCCC23CC3)c1C ZINC000629834730 361734216 /nfs/dbraw/zinc/73/42/16/361734216.db2.gz OYFZWJJQVNVMCV-LLVKDONJSA-N 0 1 247.342 2.337 20 0 BEADMN CC[C@H](N[C@H](C)c1ccco1)[C@@H](O)C(F)F ZINC000296629051 398140384 /nfs/dbraw/zinc/14/03/84/398140384.db2.gz XITQMPAFXJCKRO-KHQFGBGNSA-N 0 1 233.258 2.335 20 0 BEADMN C[C@H]1CN(C(=O)c2ccc(F)cc2O)C[C@@H]1C ZINC000228311458 187322186 /nfs/dbraw/zinc/32/21/86/187322186.db2.gz ZDVIYDZWWYZSJL-IUCAKERBSA-N 0 1 237.274 2.259 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC000602220067 349479127 /nfs/dbraw/zinc/47/91/27/349479127.db2.gz AODPIGVCDAZBQL-SECBINFHSA-N 0 1 247.342 2.064 20 0 BEADMN CCc1nnc(CN(CC)C[C@@H](C)CC)[nH]1 ZINC000158804211 136214181 /nfs/dbraw/zinc/21/41/81/136214181.db2.gz XTJSOLYFEKTJJD-JTQLQIEISA-N 0 1 224.352 2.235 20 0 BEADMN CCCc1csc(CNC(C)(C)CCO)n1 ZINC000336753127 187322746 /nfs/dbraw/zinc/32/27/46/187322746.db2.gz DSTVNRLCPDGSSL-UHFFFAOYSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cc(CN2CCSC[C@@H]2C2CC2)ncn1 ZINC000336291505 177999243 /nfs/dbraw/zinc/99/92/43/177999243.db2.gz GBDUYJFNCFTCRC-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN Cc1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)on1 ZINC000298449715 178001976 /nfs/dbraw/zinc/00/19/76/178001976.db2.gz ZRYHWYUACFTVRZ-MNOVXSKESA-N 0 1 242.269 2.460 20 0 BEADMN Cc1cc(CN2CC[C@@H](C3CC3)C2)no1 ZINC000336379701 178002172 /nfs/dbraw/zinc/00/21/72/178002172.db2.gz RTNWYIUKJCONAP-LLVKDONJSA-N 0 1 206.289 2.215 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)N[C@H](C)C(F)(F)F ZINC000389934531 398150834 /nfs/dbraw/zinc/15/08/34/398150834.db2.gz MKQXDXVXCLPRPS-IYSWYEEDSA-N 0 1 221.226 2.320 20 0 BEADMN Cc1cc(CN2C[C@H]3CCC[C@@H]3C2)no1 ZINC000152644767 178007916 /nfs/dbraw/zinc/00/79/16/178007916.db2.gz YWSULRURAAIEMN-GHMZBOCLSA-N 0 1 206.289 2.215 20 0 BEADMN C[C@H](O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000649338815 398155877 /nfs/dbraw/zinc/15/58/77/398155877.db2.gz YXYURYXAKQIEBT-GXFFZTMASA-N 0 1 223.291 2.343 20 0 BEADMN Cc1cc(CNCC(=O)NC(C)(C)C)cs1 ZINC000336656518 178018076 /nfs/dbraw/zinc/01/80/76/178018076.db2.gz LJSGYKMDVIGTAA-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000063067584 349505838 /nfs/dbraw/zinc/50/58/38/349505838.db2.gz WZVYUAYEGCCVIW-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)no1 ZINC000340517165 178036525 /nfs/dbraw/zinc/03/65/25/178036525.db2.gz YWOVTDBZRXXAEF-YNEHKIRRSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CC[C@H](C)O2)nc1 ZINC000649904122 398175098 /nfs/dbraw/zinc/17/50/98/398175098.db2.gz LXLIBJFXEIHRGZ-GXTWGEPZSA-N 0 1 234.343 2.389 20 0 BEADMN CCC1(CNc2cccc(C)n2)COC1 ZINC000336743969 398181867 /nfs/dbraw/zinc/18/18/67/398181867.db2.gz YRBWNRIXGPTGAY-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)CCC2CCC2)n[nH]1 ZINC000161979220 178057073 /nfs/dbraw/zinc/05/70/73/178057073.db2.gz ZMVYPVSESQFWHL-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN CCC(CC)C(=O)NCCCc1cn[nH]c1C ZINC000050183620 168337451 /nfs/dbraw/zinc/33/74/51/168337451.db2.gz DZVUTOQTBAPNDY-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN CCC[C@]1(C)C(=O)NCCN1CCCCCF ZINC000342143614 398189335 /nfs/dbraw/zinc/18/93/35/398189335.db2.gz VQXQJAXAXKVUBS-CYBMUJFWSA-N 0 1 244.354 2.117 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cc(=O)c(O)co1 ZINC000072938420 398190643 /nfs/dbraw/zinc/19/06/43/398190643.db2.gz GUTCRTFCLZZONP-SNVBAGLBSA-N 0 1 237.299 2.110 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1CCCCS(C)(=O)=O ZINC000162479513 538923056 /nfs/dbraw/zinc/92/30/56/538923056.db2.gz FHEWEINBBTVXCM-VXGBXAGGSA-N 0 1 247.404 2.074 20 0 BEADMN CC(C)C1CCC(NCc2ncn(C)n2)CC1 ZINC000092851675 398206526 /nfs/dbraw/zinc/20/65/26/398206526.db2.gz YPWFLGFJBSDLDR-UHFFFAOYSA-N 0 1 236.363 2.120 20 0 BEADMN COCCN(C)Cc1scnc1C1CC1 ZINC000495074016 538927416 /nfs/dbraw/zinc/92/74/16/538927416.db2.gz KMGVMPCWAYOQRQ-UHFFFAOYSA-N 0 1 226.345 2.099 20 0 BEADMN CC(C)C[C@@H](N)c1noc(COC(C)C)n1 ZINC000339389168 187329204 /nfs/dbraw/zinc/32/92/04/187329204.db2.gz ACYMQHZNWRFFTK-SECBINFHSA-N 0 1 227.308 2.041 20 0 BEADMN [O-]c1cccc2c(N3CC[C@@H](F)C3)cc[nH+]c12 ZINC000649420271 398219424 /nfs/dbraw/zinc/21/94/24/398219424.db2.gz FKLCFXXJPZNQLE-SECBINFHSA-N 0 1 232.258 2.489 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCCO2)n1 ZINC000339388933 187329480 /nfs/dbraw/zinc/32/94/80/187329480.db2.gz LOWIUDPMFNXPLK-ZJUUUORDSA-N 0 1 239.319 2.357 20 0 BEADMN CC(C)[C@@H](CO)CNCc1ncc(Cl)s1 ZINC000336767415 136221326 /nfs/dbraw/zinc/22/13/26/136221326.db2.gz TVCUNLSQYTXIOJ-MRVPVSSYSA-N 0 1 248.779 2.151 20 0 BEADMN Cc1cc(NC[C@H](C)O)c2cc(F)ccc2n1 ZINC000119751444 178168994 /nfs/dbraw/zinc/16/89/94/178168994.db2.gz GJCCOAFKJMYOOU-VIFPVBQESA-N 0 1 234.274 2.475 20 0 BEADMN CCc1nc(CN[C@H](C)c2cccc(F)c2)n[nH]1 ZINC000274573167 538930139 /nfs/dbraw/zinc/93/01/39/538930139.db2.gz FXAZFXSHTCPFLV-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN CCC(CC)CN(CC)C(=O)c1cnc[nH]1 ZINC000299639511 168348276 /nfs/dbraw/zinc/34/82/76/168348276.db2.gz MMXUZPDIRWEVDI-UHFFFAOYSA-N 0 1 223.320 2.308 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cc(C)nc(C)n2)[nH]n1 ZINC000133412697 178178336 /nfs/dbraw/zinc/17/83/36/178178336.db2.gz UVDJZCHTIAQXKM-QMMMGPOBSA-N 0 1 245.330 2.168 20 0 BEADMN CC(=O)CC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263717442 187331739 /nfs/dbraw/zinc/33/17/39/187331739.db2.gz OABLZBXZHVOVRI-OAHLLOKOSA-N 0 1 247.338 2.211 20 0 BEADMN CC(=O)CCN(C)C[C@H]1OCCc2ccccc21 ZINC000263717442 187331741 /nfs/dbraw/zinc/33/17/41/187331741.db2.gz OABLZBXZHVOVRI-OAHLLOKOSA-N 0 1 247.338 2.211 20 0 BEADMN Cc1csc(CNC[C@H]2CC[C@H](C)O2)n1 ZINC000148612052 398226186 /nfs/dbraw/zinc/22/61/86/398226186.db2.gz WQCCYIZYKATLAJ-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1cc(CNCc2cncs2)cc(C)n1 ZINC000421379554 192324077 /nfs/dbraw/zinc/32/40/77/192324077.db2.gz LPMSFGWHYOHOIP-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCn1ncnc1CN[C@H]1CC12CCCCC2 ZINC000387155672 398226816 /nfs/dbraw/zinc/22/68/16/398226816.db2.gz QBOWRBWAIMQOFW-NSHDSACASA-N 0 1 234.347 2.110 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)C[C@H](CC)O1 ZINC000421390185 192327007 /nfs/dbraw/zinc/32/70/07/192327007.db2.gz NPSBCHIOOJLRGT-KBPBESRZSA-N 0 1 236.359 2.415 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)n1 ZINC000192619120 178202865 /nfs/dbraw/zinc/20/28/65/178202865.db2.gz PECDCQMLVSTTID-IJLUTSLNSA-N 0 1 247.342 2.284 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000342659299 136223516 /nfs/dbraw/zinc/22/35/16/136223516.db2.gz GQXXDUVXROKODR-OUAUKWLOSA-N 0 1 247.342 2.087 20 0 BEADMN COc1cc(C)ccc1CN1CC[C@@]12CCOC2 ZINC000421396462 192329204 /nfs/dbraw/zinc/32/92/04/192329204.db2.gz BSNLHUSFHBCYIZ-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000334195700 136224171 /nfs/dbraw/zinc/22/41/71/136224171.db2.gz KUHVLLSELHREQI-CYBMUJFWSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1c(Cl)c(CNCCCCF)nn1C ZINC000421358040 192332742 /nfs/dbraw/zinc/33/27/42/192332742.db2.gz RYFGFKMWEYCHRK-UHFFFAOYSA-N 0 1 233.718 2.221 20 0 BEADMN CCC(CC)CN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361663842 168354337 /nfs/dbraw/zinc/35/43/37/168354337.db2.gz XJAJBQFEGGIKSD-HBYGRHMLSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cc([C@@H](C)NCCCc2c[nH]nc2C)no1 ZINC000281058578 178223790 /nfs/dbraw/zinc/22/37/90/178223790.db2.gz RPEUHBQXTKDGOJ-LLVKDONJSA-N 0 1 248.330 2.298 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccco2)nn1C ZINC000337493001 178226592 /nfs/dbraw/zinc/22/65/92/178226592.db2.gz XDPIUOVVERGILH-LLVKDONJSA-N 0 1 233.315 2.215 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CC2(C)C)nn1C ZINC000282418037 178230491 /nfs/dbraw/zinc/23/04/91/178230491.db2.gz CQAYAUUNQCYVSK-MWLCHTKSSA-N 0 1 207.321 2.178 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)O)no1 ZINC000296251975 178232541 /nfs/dbraw/zinc/23/25/41/178232541.db2.gz CXNWFEYNBNNZIE-PSASIEDQSA-N 0 1 226.320 2.183 20 0 BEADMN CCC1(CC)CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000279984989 538936249 /nfs/dbraw/zinc/93/62/49/538936249.db2.gz RBRHVOOCEBXJCD-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000629951755 361799831 /nfs/dbraw/zinc/79/98/31/361799831.db2.gz AUBKPYFKNMVEEB-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000334494113 136226056 /nfs/dbraw/zinc/22/60/56/136226056.db2.gz ARZABJFTIKOWLM-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc([C@H](C)NC2CC(C)(F)C2)nn1C ZINC000334518887 178245804 /nfs/dbraw/zinc/24/58/04/178245804.db2.gz DFUBFQNWMPRYBA-BMQDGWLCSA-N 0 1 225.311 2.270 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265650105 187332823 /nfs/dbraw/zinc/33/28/23/187332823.db2.gz UZSUXXTYSLZBGO-LLVKDONJSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1cc([C@H](C)NCCCOC(F)F)no1 ZINC000336752197 178246598 /nfs/dbraw/zinc/24/65/98/178246598.db2.gz VOMZKFLJNWZKFS-QMMMGPOBSA-N 0 1 234.246 2.263 20 0 BEADMN Cc1cc([C@H](C)NCC2(CCO)CCC2)no1 ZINC000332046269 178247458 /nfs/dbraw/zinc/24/74/58/178247458.db2.gz YTEXBJDFOOZZLS-NSHDSACASA-N 0 1 238.331 2.186 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](C)C[C@H](C)O)no1 ZINC000279577634 178250376 /nfs/dbraw/zinc/25/03/76/178250376.db2.gz MOUOOVGCVIHGFH-YWVKMMECSA-N 0 1 226.320 2.041 20 0 BEADMN CC(C)CN(C(=O)CCc1cnc[nH]1)C(C)C ZINC000279762363 538936055 /nfs/dbraw/zinc/93/60/55/538936055.db2.gz JGGNMTXXNUAIFH-UHFFFAOYSA-N 0 1 237.347 2.235 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)C[S@](C)=O)oc1C ZINC000282686647 178256308 /nfs/dbraw/zinc/25/63/08/178256308.db2.gz KACURVZHRNHVIW-LSYCYVAJSA-N 0 1 243.372 2.314 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCCC[C@H]2CO)no1 ZINC000330960468 178258859 /nfs/dbraw/zinc/25/88/59/178258859.db2.gz ASISALICRBRVBU-SRVKXCTJSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1ccnc(-c2nc3ccccc3c(=O)[nH]2)n1 ZINC000432500353 398237716 /nfs/dbraw/zinc/23/77/16/398237716.db2.gz IBTSNMBPJFREPU-UHFFFAOYSA-N 0 1 238.250 2.101 20 0 BEADMN CCC[C@H](C)N(C)Cc1cc(C(=O)OC)no1 ZINC000602441292 349527671 /nfs/dbraw/zinc/52/76/71/349527671.db2.gz WUFJWQKFGAAFED-VIFPVBQESA-N 0 1 240.303 2.082 20 0 BEADMN CCCNC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000066854470 361817921 /nfs/dbraw/zinc/81/79/21/361817921.db2.gz NGPWFRANMBRUEU-CYBMUJFWSA-N 0 1 248.370 2.248 20 0 BEADMN CN(CC(=O)N[C@H]1CCC(C)(C)C1)C1CCC1 ZINC000629976178 361819225 /nfs/dbraw/zinc/81/92/25/361819225.db2.gz FDLPVPNRDGAPLJ-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C12CC(C1)C2 ZINC000629971081 361819670 /nfs/dbraw/zinc/81/96/70/361819670.db2.gz ADVPWIKQRCCWSJ-UHFFFAOYSA-N 0 1 245.204 2.167 20 0 BEADMN CC(C)c1cnc(C[NH2+]C(C)(C)C(=O)[O-])s1 ZINC000417582671 398243348 /nfs/dbraw/zinc/24/33/48/398243348.db2.gz VNYSZSNKAICTJB-UHFFFAOYSA-N 0 1 242.344 2.219 20 0 BEADMN c1ccc2c(CNCC3=CCCOC3)noc2c1 ZINC000576597362 365636630 /nfs/dbraw/zinc/63/66/30/365636630.db2.gz POHQQGROEAZFLU-UHFFFAOYSA-N 0 1 244.294 2.264 20 0 BEADMN Cc1cn[nH]c1CNc1cc2c(cc1C)OCO2 ZINC000289588417 178292071 /nfs/dbraw/zinc/29/20/71/178292071.db2.gz TZENGXIARRYWBV-UHFFFAOYSA-N 0 1 245.282 2.367 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)CC1(C(=O)[O-])CC1 ZINC000258970048 349535847 /nfs/dbraw/zinc/53/58/47/349535847.db2.gz SUPWLBLASCUKJK-UHFFFAOYSA-N 0 1 237.274 2.122 20 0 BEADMN CCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)[O-])o1 ZINC000576668387 365654013 /nfs/dbraw/zinc/65/40/13/365654013.db2.gz WZTQBUMZQHIAGO-MWLCHTKSSA-N 0 1 237.299 2.452 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CN(C)C)C1 ZINC000286435054 538944110 /nfs/dbraw/zinc/94/41/10/538944110.db2.gz SDYAZYNRCSMVAA-JSGCOSHPSA-N 0 1 246.354 2.158 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1nccs1)OC ZINC000381284420 398253152 /nfs/dbraw/zinc/25/31/52/398253152.db2.gz MAXBURYMEMFGBN-NXEZZACHSA-N 0 1 228.361 2.294 20 0 BEADMN Cc1ccc(F)cc1CNCc1cncn1C ZINC000289728296 538946290 /nfs/dbraw/zinc/94/62/90/538946290.db2.gz GAVXLOPKMCPJPL-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CCC(CC)N(CC(C)C)C(=O)CN(C)C ZINC000362374380 168368676 /nfs/dbraw/zinc/36/86/76/168368676.db2.gz ACLRDWFYYUJIJV-UHFFFAOYSA-N 0 1 228.380 2.221 20 0 BEADMN CCC[C@H](NCc1cncn1C)c1cccnc1 ZINC000289915690 538946523 /nfs/dbraw/zinc/94/65/23/538946523.db2.gz UPGFPARSVSMKBJ-AWEZNQCLSA-N 0 1 244.342 2.446 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@]1(C)C(=O)[O-] ZINC000576710170 365667397 /nfs/dbraw/zinc/66/73/97/365667397.db2.gz CKJJLGHQPCCABL-KCJUWKMLSA-N 0 1 247.285 2.074 20 0 BEADMN CN(Cc1cc[nH]n1)CC1Cc2ccccc2C1 ZINC000576749694 365675158 /nfs/dbraw/zinc/67/51/58/365675158.db2.gz LTBRFVQIUPUINK-UHFFFAOYSA-N 0 1 241.338 2.257 20 0 BEADMN CO[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@H]1C ZINC000299930245 538948635 /nfs/dbraw/zinc/94/86/35/538948635.db2.gz NCGLUFACRJXVST-BXUZGUMPSA-N 0 1 235.327 2.249 20 0 BEADMN CCC(CC)N(CC)C(=O)c1cnc[nH]1 ZINC000292207963 168372012 /nfs/dbraw/zinc/37/20/12/168372012.db2.gz PWCPFGZBEWNJHI-UHFFFAOYSA-N 0 1 209.293 2.060 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])nc1 ZINC000385965196 398262778 /nfs/dbraw/zinc/26/27/78/398262778.db2.gz LIMOMMXFRMNYGV-AWEZNQCLSA-N 0 1 248.326 2.083 20 0 BEADMN CC(F)(F)CN[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000378750418 346822154 /nfs/dbraw/zinc/82/21/54/346822154.db2.gz OGBFMPFJOHGPQK-NKWVEPMBSA-N 0 1 247.207 2.341 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1cc[nH]n1 ZINC000092566038 168373362 /nfs/dbraw/zinc/37/33/62/168373362.db2.gz ZJLUKOUJONFTHZ-UHFFFAOYSA-N 0 1 225.336 2.047 20 0 BEADMN CCC(CC)N(CCOC)Cc1cc[nH]n1 ZINC000092566038 168373364 /nfs/dbraw/zinc/37/33/64/168373364.db2.gz ZJLUKOUJONFTHZ-UHFFFAOYSA-N 0 1 225.336 2.047 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1ccno1 ZINC000264734170 168373648 /nfs/dbraw/zinc/37/36/48/168373648.db2.gz RZCGEIYHWZAQTQ-UHFFFAOYSA-N 0 1 226.320 2.312 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)[C@@H]1C(C)C ZINC000334745020 136232371 /nfs/dbraw/zinc/23/23/71/136232371.db2.gz VCIUNZZRGFRDRZ-CMPLNLGQSA-N 0 1 235.331 2.162 20 0 BEADMN CCOC(=O)c1ccc(CNCc2ccoc2)[nH]1 ZINC000602524727 349576871 /nfs/dbraw/zinc/57/68/71/349576871.db2.gz DJCAMKYAMGNVQU-UHFFFAOYSA-N 0 1 248.282 2.074 20 0 BEADMN CC[C@@H](CNCc1cnc(C2CC2)o1)OC ZINC000628287374 346845359 /nfs/dbraw/zinc/84/53/59/346845359.db2.gz XIDWANHTXNWMQH-JTQLQIEISA-N 0 1 224.304 2.067 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1cn(C)nc1C ZINC000180444224 538958403 /nfs/dbraw/zinc/95/84/03/538958403.db2.gz UAQKSXCEZIJCPM-RKDXNWHRSA-N 0 1 247.346 2.172 20 0 BEADMN CC[C@H]1CCCC[C@H]1CN1CCS(=O)CC1 ZINC000600118423 342674754 /nfs/dbraw/zinc/67/47/54/342674754.db2.gz UXIBSDJNBOMLGL-STQMWFEESA-N 0 1 243.416 2.267 20 0 BEADMN CC[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000191901904 361838977 /nfs/dbraw/zinc/83/89/77/361838977.db2.gz VIICZIIXMOUJSO-LLVKDONJSA-N 0 1 205.305 2.099 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(F)cc1 ZINC000650503764 398274677 /nfs/dbraw/zinc/27/46/77/398274677.db2.gz XJMMSXPURWLAJM-BXKDBHETSA-N 0 1 237.274 2.263 20 0 BEADMN CC(C)Oc1ccnc(CN2CCCC2)c1 ZINC000649480372 398278220 /nfs/dbraw/zinc/27/82/20/398278220.db2.gz GUIXSWXWUPPGSP-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN C/C=C\CNCc1cc(C(=O)OC)c(CC)o1 ZINC000600204213 342701511 /nfs/dbraw/zinc/70/15/11/342701511.db2.gz HYKSQDNKNGLYRI-XQRVVYSFSA-N 0 1 237.299 2.294 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2ccno2)C12CCC2 ZINC000231884449 342741787 /nfs/dbraw/zinc/74/17/87/342741787.db2.gz VUUAMGXFGRECGU-VXGBXAGGSA-N 0 1 236.315 2.112 20 0 BEADMN CCC(CC)NC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000377103618 168384458 /nfs/dbraw/zinc/38/44/58/168384458.db2.gz NZRNJMQCGQBENG-JTQLQIEISA-N 0 1 235.331 2.134 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC000630007134 361892453 /nfs/dbraw/zinc/89/24/53/361892453.db2.gz GIYHNYKEMHOZFA-TZMCWYRMSA-N 0 1 238.375 2.022 20 0 BEADMN CCC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC000629996073 361879379 /nfs/dbraw/zinc/87/93/79/361879379.db2.gz AEMSBPDBNKRPBV-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cncc(F)c1 ZINC000309633997 342771248 /nfs/dbraw/zinc/77/12/48/342771248.db2.gz IUXWZNRIKLQJNL-KPXOXKRLSA-N 0 1 224.279 2.049 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cncc(F)c1 ZINC000309633998 342771374 /nfs/dbraw/zinc/77/13/74/342771374.db2.gz IUXWZNRIKLQJNL-XXILOJSOSA-N 0 1 224.279 2.049 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccnn1C1CCCC1 ZINC000583974961 342800856 /nfs/dbraw/zinc/80/08/56/342800856.db2.gz BYWKELUHFMIRFF-ZIAGYGMSSA-N 0 1 249.358 2.265 20 0 BEADMN CC1(C)CCN([C@@H]2C=CCCC2)CC[S@@]1=O ZINC000336303142 342801208 /nfs/dbraw/zinc/80/12/08/342801208.db2.gz RJSQYCSYGVLNFC-WBMJQRKESA-N 0 1 241.400 2.328 20 0 BEADMN CC1(C)CCN([C@H]2C=CCCC2)CC[S@]1=O ZINC000336303141 342801230 /nfs/dbraw/zinc/80/12/30/342801230.db2.gz RJSQYCSYGVLNFC-BLLLJJGKSA-N 0 1 241.400 2.328 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000309674450 342783880 /nfs/dbraw/zinc/78/38/80/342783880.db2.gz LFIBJKDINMBXPD-SNVBAGLBSA-N 0 1 223.272 2.281 20 0 BEADMN Cc1noc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000607752812 342789398 /nfs/dbraw/zinc/78/93/98/342789398.db2.gz MEUVQVCKKOKOKZ-QNSHHTMESA-N 0 1 221.304 2.027 20 0 BEADMN CC[C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC000630015365 361902439 /nfs/dbraw/zinc/90/24/39/361902439.db2.gz DGRMGMMVWUSGOH-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1coc(CN)c1 ZINC000187196339 342796430 /nfs/dbraw/zinc/79/64/30/342796430.db2.gz MRRZXLYSQCRTNR-JTQLQIEISA-N 0 1 238.331 2.293 20 0 BEADMN CC(C)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000032013861 342797059 /nfs/dbraw/zinc/79/70/59/342797059.db2.gz WITLNIATAUOABX-UHFFFAOYSA-N 0 1 221.300 2.326 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1Cl ZINC000032015460 342797211 /nfs/dbraw/zinc/79/72/11/342797211.db2.gz VMSFKIMWLUBFBE-UHFFFAOYSA-N 0 1 227.691 2.247 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccccc3)c(=O)c21 ZINC000634582416 342798217 /nfs/dbraw/zinc/79/82/17/342798217.db2.gz SRWCGUCHLIOZKU-CABZTGNLSA-N 0 1 214.268 2.435 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CCCC23CC3)[nH]1 ZINC000624757531 342825541 /nfs/dbraw/zinc/82/55/41/342825541.db2.gz OQOUWRRNWLDLEK-VIFPVBQESA-N 0 1 243.314 2.297 20 0 BEADMN COc1ccc(C2=NN(CC(C)C)C(=O)C2)cc1 ZINC000634583944 342820975 /nfs/dbraw/zinc/82/09/75/342820975.db2.gz MRBQHDKLTPJSFB-UHFFFAOYSA-N 0 1 246.310 2.288 20 0 BEADMN COc1ccccc1CN1CC2(CC2)C1 ZINC000449370766 398292398 /nfs/dbraw/zinc/29/23/98/398292398.db2.gz MGYJSMYHGXYNDK-UHFFFAOYSA-N 0 1 203.285 2.291 20 0 BEADMN C[C@@H]1CC[C@@H](CSc2nc(C3CC3)n[nH]2)O1 ZINC000189999526 538986756 /nfs/dbraw/zinc/98/67/56/538986756.db2.gz LUSAGRFJNDZAHQ-APPZFPTMSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@@H]1CC[C@@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000189999526 538986757 /nfs/dbraw/zinc/98/67/57/538986757.db2.gz LUSAGRFJNDZAHQ-APPZFPTMSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@H]1CC[C@H](CSc2nc(C3CC3)n[nH]2)O1 ZINC000189999505 538986809 /nfs/dbraw/zinc/98/68/09/538986809.db2.gz LUSAGRFJNDZAHQ-IONNQARKSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@H]1CC[C@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000189999505 538986810 /nfs/dbraw/zinc/98/68/10/538986810.db2.gz LUSAGRFJNDZAHQ-IONNQARKSA-N 0 1 239.344 2.342 20 0 BEADMN CC(C)CN1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634584090 342828322 /nfs/dbraw/zinc/82/83/22/342828322.db2.gz RLKHXTCDHNWUCK-LBPRGKRZSA-N 0 1 228.295 2.061 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCCC2(F)F)CCO1 ZINC000380246030 538987938 /nfs/dbraw/zinc/98/79/38/538987938.db2.gz OFDMRYXRFMCTOM-OPRDCNLKSA-N 0 1 219.275 2.331 20 0 BEADMN CC1=CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335622321 136239959 /nfs/dbraw/zinc/23/99/59/136239959.db2.gz NYJYYLVWCNLRDI-GFCCVEGCSA-N 0 1 236.359 2.038 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000341831523 168398073 /nfs/dbraw/zinc/39/80/73/168398073.db2.gz UKQACZHXLRONMW-BDAKNGLRSA-N 0 1 238.335 2.054 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000071026376 361931575 /nfs/dbraw/zinc/93/15/75/361931575.db2.gz ADSKLGMIQJDVNP-QMMMGPOBSA-N 0 1 225.313 2.431 20 0 BEADMN CO[C@@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000381971745 398290908 /nfs/dbraw/zinc/29/09/08/398290908.db2.gz CCXDXCLLYOCOFE-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000189058968 538981258 /nfs/dbraw/zinc/98/12/58/538981258.db2.gz VGYZFKXWLOVFFL-WDEREUQCSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H]1Oc2ccccc2[C@H]1NC1CSC1 ZINC000379919350 538981684 /nfs/dbraw/zinc/98/16/84/538981684.db2.gz GEFYLBGDKIWEOW-PELKAZGASA-N 0 1 221.325 2.214 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC[C@H]2CCC[C@H]21 ZINC000189439354 538983372 /nfs/dbraw/zinc/98/33/72/538983372.db2.gz HSAQIBPBUMGZAY-DGCLKSJQSA-N 0 1 247.342 2.133 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)NC2CSC2)n[nH]1 ZINC000381573019 539004413 /nfs/dbraw/zinc/00/44/13/539004413.db2.gz YHYCKKFYJNCPNY-YUMQZZPRSA-N 0 1 240.376 2.084 20 0 BEADMN CC[C@@H](C(=O)Nc1csc(C)c1)N(C)C ZINC000634424874 361948815 /nfs/dbraw/zinc/94/88/15/361948815.db2.gz MZDWWYZKROVBTI-JTQLQIEISA-N 0 1 226.345 2.335 20 0 BEADMN Cc1cc(NC(=O)CN(C)C(C)C)cs1 ZINC000634425474 361949483 /nfs/dbraw/zinc/94/94/83/361949483.db2.gz LMBPFHNBWBZCQW-UHFFFAOYSA-N 0 1 226.345 2.335 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000341831526 168399340 /nfs/dbraw/zinc/39/93/40/168399340.db2.gz UKQACZHXLRONMW-RKDXNWHRSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1ncc([C@@H](C)NCc2cncn2C)s1 ZINC000381249435 538996823 /nfs/dbraw/zinc/99/68/23/538996823.db2.gz OZBZPZJJNCIVHG-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCCO2)cs1 ZINC000381399478 538999662 /nfs/dbraw/zinc/99/96/62/538999662.db2.gz PSKYKACXADQHRI-SKDRFNHKSA-N 0 1 240.372 2.499 20 0 BEADMN CCC[N@@H+](CC)Cc1cc2n(n1)CCC2 ZINC000649498527 398296398 /nfs/dbraw/zinc/29/63/98/398296398.db2.gz NZPCIUMTWSPPGF-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN CCCN(CC)Cc1cc2n(n1)CCC2 ZINC000649498527 398296401 /nfs/dbraw/zinc/29/64/01/398296401.db2.gz NZPCIUMTWSPPGF-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000042381107 361988665 /nfs/dbraw/zinc/98/86/65/361988665.db2.gz DQUUSUPQKZMAOU-ZYHUDNBSSA-N 0 1 233.315 2.205 20 0 BEADMN CCc1nc(CNC(C(C)C)C(C)C)no1 ZINC000390614785 539026689 /nfs/dbraw/zinc/02/66/89/539026689.db2.gz GMTZGCOISSFLIY-UHFFFAOYSA-N 0 1 225.336 2.402 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@@]2(C)CCCO2)s1 ZINC000309737538 342839945 /nfs/dbraw/zinc/83/99/45/342839945.db2.gz CQJCRKPBZRINKK-CMPLNLGQSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@@H](CNC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000620370900 398298102 /nfs/dbraw/zinc/29/81/02/398298102.db2.gz LZMKLPGAGFSZHS-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H]2C(C)C)s1 ZINC000389978026 539019402 /nfs/dbraw/zinc/01/94/02/539019402.db2.gz GTEZUGHRITWESP-NXEZZACHSA-N 0 1 225.361 2.371 20 0 BEADMN FC1(F)CCC[C@H]1CNCc1ccon1 ZINC000382021354 398300340 /nfs/dbraw/zinc/30/03/40/398300340.db2.gz ASVYAANFFLDGFB-QMMMGPOBSA-N 0 1 216.231 2.200 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CC[C@@H]2C2CC2)n1 ZINC000449481687 398300730 /nfs/dbraw/zinc/30/07/30/398300730.db2.gz VALIYIRGEQAHHK-KOLCDFICSA-N 0 1 239.750 2.352 20 0 BEADMN CC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000625061327 342847767 /nfs/dbraw/zinc/84/77/67/342847767.db2.gz OUSDXCFXDHWYCB-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN COc1cncc(CN(CCC(C)C)C2CC2)n1 ZINC000625082498 342849087 /nfs/dbraw/zinc/84/90/87/342849087.db2.gz BBJJCNGIENBBGH-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CC[C@H](c1ccccc1)N1CCOCC1 ZINC000032600010 342855216 /nfs/dbraw/zinc/85/52/16/342855216.db2.gz LSTVSNRAJKBTNW-CYBMUJFWSA-N 0 1 205.301 2.470 20 0 BEADMN C[N@H+]1CC[C@H](CNc2nc(Cl)cs2)C1 ZINC000164985726 342863070 /nfs/dbraw/zinc/86/30/70/342863070.db2.gz URDOLRJJRABADM-SSDOTTSWSA-N 0 1 231.752 2.160 20 0 BEADMN Cc1[nH]ncc1CNc1cnn([C@@H](C)C2CC2)c1 ZINC000189244048 259326684 /nfs/dbraw/zinc/32/66/84/259326684.db2.gz CLONFZCPGQYPCD-JTQLQIEISA-N 0 1 245.330 2.498 20 0 BEADMN CC(C)[C@H](NCC(F)F)C1(CO)CCC1 ZINC000382100735 398305369 /nfs/dbraw/zinc/30/53/69/398305369.db2.gz GLULSQXFNSUCTR-JTQLQIEISA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1F ZINC000092940993 398307535 /nfs/dbraw/zinc/30/75/35/398307535.db2.gz VLMLSPKJOPNSIC-MWLCHTKSSA-N 0 1 237.274 2.121 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1F ZINC000092941001 398307612 /nfs/dbraw/zinc/30/76/12/398307612.db2.gz VLMLSPKJOPNSIC-KOLCDFICSA-N 0 1 237.274 2.121 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccc(Cl)s1)C1CC1 ZINC000037474629 488185620 /nfs/dbraw/zinc/18/56/20/488185620.db2.gz IFWKHEZNQDNHAD-UHFFFAOYSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)s1)C1CC1 ZINC000037474629 488185625 /nfs/dbraw/zinc/18/56/25/488185625.db2.gz IFWKHEZNQDNHAD-UHFFFAOYSA-N 0 1 245.731 2.451 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)c2cccs2)n[nH]1 ZINC000335647131 136243794 /nfs/dbraw/zinc/24/37/94/136243794.db2.gz IBFBCWGWVVXEJR-NPMWZIQKSA-N 0 1 241.341 2.043 20 0 BEADMN CC[C@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000036170049 342894342 /nfs/dbraw/zinc/89/43/42/342894342.db2.gz UVFFXWDCAAMLDI-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN CN(Cc1ccc[nH]1)C(=O)c1c(O)cccc1F ZINC000336342926 398318157 /nfs/dbraw/zinc/31/81/57/398318157.db2.gz IVQCCLMXODGLJD-UHFFFAOYSA-N 0 1 248.257 2.132 20 0 BEADMN CN(CC(=O)c1cccn1C)C1CCCC1 ZINC000035047862 342882366 /nfs/dbraw/zinc/88/23/66/342882366.db2.gz QLWXQJBNKGCWCR-UHFFFAOYSA-N 0 1 220.316 2.082 20 0 BEADMN CC[C@@H](C)CNCc1n[nH]cc1Br ZINC000388664812 342885030 /nfs/dbraw/zinc/88/50/30/342885030.db2.gz WKARUNUAWINOPN-SSDOTTSWSA-N 0 1 246.152 2.308 20 0 BEADMN CN(Cc1cc(O)ccc1Cl)CC(C)(C)O ZINC000625169878 342899594 /nfs/dbraw/zinc/89/95/94/342899594.db2.gz RUUBVRPVFOSLCH-UHFFFAOYSA-N 0 1 243.734 2.248 20 0 BEADMN CCn1[nH]c2c(c1=O)C[C@H](C(C)C)CC2 ZINC000634584773 342901073 /nfs/dbraw/zinc/90/10/73/342901073.db2.gz MRGSDJWHFRNJHM-ZJUUUORDSA-N 0 1 208.305 2.277 20 0 BEADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(CCF)c1 ZINC000624127029 346872168 /nfs/dbraw/zinc/87/21/68/346872168.db2.gz YBQLWSUOQIXHON-QMMMGPOBSA-N 0 1 237.282 2.057 20 0 BEADMN COc1cncc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000625211653 342914285 /nfs/dbraw/zinc/91/42/85/342914285.db2.gz ZRJZBQAUURDUIN-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000234018295 342916977 /nfs/dbraw/zinc/91/69/77/342916977.db2.gz UJBUMIAKGDHEGY-JQWIXIFHSA-N 0 1 213.321 2.218 20 0 BEADMN O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000521881020 259328512 /nfs/dbraw/zinc/32/85/12/259328512.db2.gz NTKFVTYULNYKBK-MRVWCRGKSA-N 0 1 249.358 2.098 20 0 BEADMN Cc1cnc(CN2CCC23CCOCC3)s1 ZINC000683527350 488187563 /nfs/dbraw/zinc/18/75/63/488187563.db2.gz QCQYTAMYQJCPRW-UHFFFAOYSA-N 0 1 238.356 2.206 20 0 BEADMN CCCCn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634585581 342928633 /nfs/dbraw/zinc/92/86/33/342928633.db2.gz KPSQXRYDGPZARL-VHSXEESVSA-N 0 1 208.305 2.421 20 0 BEADMN COc1cccc(-n2[nH]c(C)c(C3CC3)c2=O)c1 ZINC000634585467 342928672 /nfs/dbraw/zinc/92/86/72/342928672.db2.gz HVHXGRXOKYPJCR-ZDUSSCGKSA-N 0 1 244.294 2.444 20 0 BEADMN CCCCn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634585582 342928690 /nfs/dbraw/zinc/92/86/90/342928690.db2.gz KPSQXRYDGPZARL-ZJUUUORDSA-N 0 1 208.305 2.421 20 0 BEADMN C[C@H]1CCc2c1[nH]n(C1CCCC1)c2=O ZINC000634587981 342933084 /nfs/dbraw/zinc/93/30/84/342933084.db2.gz FRENYAMBXYPYPK-WCBMZHEXSA-N 0 1 206.289 2.173 20 0 BEADMN COCCc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000634588917 342934864 /nfs/dbraw/zinc/93/48/64/342934864.db2.gz IYIOPUOBNHASCF-UHFFFAOYSA-N 0 1 246.310 2.120 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccs1 ZINC000037474348 342934883 /nfs/dbraw/zinc/93/48/83/342934883.db2.gz WWPSNLIWECCVSV-UHFFFAOYSA-N 0 1 227.329 2.433 20 0 BEADMN COC(=O)c1[nH]c(CN2[C@H](C)C[C@H]2C)cc1C ZINC000602647040 349657673 /nfs/dbraw/zinc/65/76/73/349657673.db2.gz GDWWHTVZGWKKFG-NXEZZACHSA-N 0 1 236.315 2.092 20 0 BEADMN CCCC[C@@H](CC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174533023 346882487 /nfs/dbraw/zinc/88/24/87/346882487.db2.gz IKTGVBDDOLZTRU-VHSXEESVSA-N 0 1 238.335 2.198 20 0 BEADMN c1c[nH]c([C@@H](NCC2CC2)c2ccccc2)n1 ZINC000125774171 398339369 /nfs/dbraw/zinc/33/93/69/398339369.db2.gz CLQPXGFIEALUTR-ZDUSSCGKSA-N 0 1 227.311 2.499 20 0 BEADMN CC1=NN(Cc2ccc(F)c(F)c2)C(=O)[C@H]1C ZINC000634591300 342940259 /nfs/dbraw/zinc/94/02/59/342940259.db2.gz YDESNSTXNGGFCQ-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1C ZINC000634591300 342940260 /nfs/dbraw/zinc/94/02/60/342940260.db2.gz YDESNSTXNGGFCQ-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(F)cc1 ZINC000037991333 398335516 /nfs/dbraw/zinc/33/55/16/398335516.db2.gz KFOQWYYYBMMVQS-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN CC(C)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038027596 398335747 /nfs/dbraw/zinc/33/57/47/398335747.db2.gz NINQCXLNQFVPBZ-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[C@H](NCc2ccc(F)cc2F)CO1 ZINC000335425313 398341358 /nfs/dbraw/zinc/34/13/58/398341358.db2.gz JEAYCWDSYZXOGC-KWQFWETISA-N 0 1 227.254 2.232 20 0 BEADMN O=c1c2c([nH]n1CC1CCCC1)CCSC2 ZINC000634591665 342943862 /nfs/dbraw/zinc/94/38/62/342943862.db2.gz JXQXRCPUPBDQRG-JTQLQIEISA-N 0 1 238.356 2.128 20 0 BEADMN CC(C)[C@](C)(O)CNCc1c(F)cccc1F ZINC000171842159 398343525 /nfs/dbraw/zinc/34/35/25/398343525.db2.gz CWNIKBSZDFARMO-CYBMUJFWSA-N 0 1 243.297 2.461 20 0 BEADMN CS[C@@H]1CCN(Cc2ccns2)C1 ZINC000602679891 349672364 /nfs/dbraw/zinc/67/23/64/349672364.db2.gz MNUDMUTYUGCUFE-MRVPVSSYSA-N 0 1 214.359 2.080 20 0 BEADMN CC(C)[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000144276367 398344160 /nfs/dbraw/zinc/34/41/60/398344160.db2.gz RRNZJRPFUHAGMM-SNVBAGLBSA-N 0 1 245.326 2.266 20 0 BEADMN c1cc(CN(CCOCC2CC2)C2CC2)ccn1 ZINC000162391003 349684672 /nfs/dbraw/zinc/68/46/72/349684672.db2.gz VSJICOWGBMFGQU-UHFFFAOYSA-N 0 1 246.354 2.473 20 0 BEADMN CC[C@H]1CCN1Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602668732 349686023 /nfs/dbraw/zinc/68/60/23/349686023.db2.gz FFDHFEGTYJAVFS-NSHDSACASA-N 0 1 236.315 2.094 20 0 BEADMN COc1ccc(-n2[nH]c(C)c(C3CC3)c2=O)cc1 ZINC000634593558 342951426 /nfs/dbraw/zinc/95/14/26/342951426.db2.gz SGKUBHXXMYCEFW-ZDUSSCGKSA-N 0 1 244.294 2.444 20 0 BEADMN Cc1cc(C2=NN(C(C)C)C(=O)C2)ccc1F ZINC000634595301 342956699 /nfs/dbraw/zinc/95/66/99/342956699.db2.gz XIFNNMXJEBXNBN-UHFFFAOYSA-N 0 1 234.274 2.479 20 0 BEADMN COC1(CNCc2cocn2)CCC(C)CC1 ZINC000355416849 187211093 /nfs/dbraw/zinc/21/10/93/187211093.db2.gz BFRJKETWJJIOTE-UHFFFAOYSA-N 0 1 238.331 2.360 20 0 BEADMN CCSC1(CNCc2ncc(C)o2)CC1 ZINC000602714760 349706319 /nfs/dbraw/zinc/70/63/19/349706319.db2.gz VXWPTPPYNXYHCO-UHFFFAOYSA-N 0 1 226.345 2.358 20 0 BEADMN CC(C)C1CC(N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000355337856 187211260 /nfs/dbraw/zinc/21/12/60/187211260.db2.gz SSLSEJNLLAKSNY-JXQTWKCFSA-N 0 1 246.354 2.237 20 0 BEADMN CCCN(C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602766901 349722938 /nfs/dbraw/zinc/72/29/38/349722938.db2.gz TXOCCXDHUKGTPI-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN COC(=O)c1coc([C@@H](C)N(C)CC(C)C)n1 ZINC000602769215 349724114 /nfs/dbraw/zinc/72/41/14/349724114.db2.gz OHGJPJRNYHHISX-SECBINFHSA-N 0 1 240.303 2.110 20 0 BEADMN Cc1ccnc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)c1 ZINC000634600478 342993338 /nfs/dbraw/zinc/99/33/38/342993338.db2.gz IYDVBZWYOSZZRJ-UWVGGRQHSA-N 0 1 229.283 2.139 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634597927 342977968 /nfs/dbraw/zinc/97/79/68/342977968.db2.gz YUXAOXRNJUOXJP-YWVKMMECSA-N 0 1 220.316 2.419 20 0 BEADMN Cc1nc(CNCCc2ccccn2)cs1 ZINC000020252990 342978552 /nfs/dbraw/zinc/97/85/52/342978552.db2.gz CKMTYPOLGHPCHG-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CSC1CCN(Cc2ccc(CO)o2)CC1 ZINC000602724159 349714343 /nfs/dbraw/zinc/71/43/43/349714343.db2.gz AEGHEHFZLSCBSZ-UHFFFAOYSA-N 0 1 241.356 2.099 20 0 BEADMN C=Cn1cc(CN2CCC(SC)CC2)cn1 ZINC000602725720 349715005 /nfs/dbraw/zinc/71/50/05/349715005.db2.gz IUHDCFAQRSPZOP-UHFFFAOYSA-N 0 1 237.372 2.311 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000335902378 136259507 /nfs/dbraw/zinc/25/95/07/136259507.db2.gz INLCKOFQHYAEQW-JQWIXIFHSA-N 0 1 233.315 2.205 20 0 BEADMN CCC[C@@H]1C(=O)N(c2ncccc2F)N=C1C ZINC000634605388 342999628 /nfs/dbraw/zinc/99/96/28/342999628.db2.gz KIXQNJUGPCMNGJ-VIFPVBQESA-N 0 1 235.262 2.360 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000634606498 343001657 /nfs/dbraw/zinc/00/16/57/343001657.db2.gz UNMJKFUHNKNQGV-PRHODGIISA-N 0 1 229.283 2.139 20 0 BEADMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1C ZINC000634608857 343003274 /nfs/dbraw/zinc/00/32/74/343003274.db2.gz ONJKCOYPRNYUIZ-LURJTMIESA-N 0 1 223.663 2.094 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccncc1Cl ZINC000634608389 343004203 /nfs/dbraw/zinc/00/42/03/343004203.db2.gz ALHFDXSQTMBUAK-UHFFFAOYSA-N 0 1 235.674 2.238 20 0 BEADMN CCN(C#N)CCN1CCCc2sccc2C1 ZINC000602776401 349729817 /nfs/dbraw/zinc/72/98/17/349729817.db2.gz PSNNXRASEIEXNO-UHFFFAOYSA-N 0 1 249.383 2.299 20 0 BEADMN Cc1[nH]n(-c2cc(C)ccc2F)c(=O)c1C ZINC000634610606 343007044 /nfs/dbraw/zinc/00/70/44/343007044.db2.gz AZOWOUWSQIZNJA-MRVPVSSYSA-N 0 1 220.247 2.493 20 0 BEADMN CCN(C#N)CC[N@@H+](C)C1CCCCCC1 ZINC000602761005 349733212 /nfs/dbraw/zinc/73/32/12/349733212.db2.gz SVQIMWSONWKLPO-UHFFFAOYSA-N 0 1 223.364 2.444 20 0 BEADMN CCc1cc(=O)n(CCc2ccccc2F)[nH]1 ZINC000634612069 343008820 /nfs/dbraw/zinc/00/88/20/343008820.db2.gz MJQOSSUCZXZHAJ-UHFFFAOYSA-N 0 1 234.274 2.367 20 0 BEADMN Cc1cccc(N2N=C3[C@H](C)CC[C@H]3C2=O)n1 ZINC000634612763 343009848 /nfs/dbraw/zinc/00/98/48/343009848.db2.gz HTGHEYIQGRQJCW-PSASIEDQSA-N 0 1 229.283 2.139 20 0 BEADMN CCC1=NN([C@@H](C)c2ccncc2)C(=O)[C@@H]1C ZINC000634626294 343028335 /nfs/dbraw/zinc/02/83/35/343028335.db2.gz AYSNQBHTHQGMBR-ZJUUUORDSA-N 0 1 231.299 2.387 20 0 BEADMN CCc1[nH]n([C@@H](C)c2ccncc2)c(=O)c1C ZINC000634626294 343028337 /nfs/dbraw/zinc/02/83/37/343028337.db2.gz AYSNQBHTHQGMBR-ZJUUUORDSA-N 0 1 231.299 2.387 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CSCC2 ZINC000634618835 343017551 /nfs/dbraw/zinc/01/75/51/343017551.db2.gz FYCCMCYCDVPSSI-VIFPVBQESA-N 0 1 226.345 2.128 20 0 BEADMN Cc1[nH]n(-c2ccnc(C)c2)c(=O)c1C1CC1 ZINC000634619041 343017967 /nfs/dbraw/zinc/01/79/67/343017967.db2.gz MVLPMZVWGCHTMY-GFCCVEGCSA-N 0 1 229.283 2.139 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634619055 343017981 /nfs/dbraw/zinc/01/79/81/343017981.db2.gz NKGISWKVOBKLJQ-UWVGGRQHSA-N 0 1 208.305 2.421 20 0 BEADMN Cc1cc(N2N=C3CCCC[C@@H]3C2=O)ccn1 ZINC000634619106 343018079 /nfs/dbraw/zinc/01/80/79/343018079.db2.gz OQGXLBNZYURXAR-NSHDSACASA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CCCC3)ccn1 ZINC000634619106 343018082 /nfs/dbraw/zinc/01/80/82/343018082.db2.gz OQGXLBNZYURXAR-NSHDSACASA-N 0 1 229.283 2.283 20 0 BEADMN CCc1c(C)[nH]n(-c2ccnc(C)c2)c1=O ZINC000634619252 343018445 /nfs/dbraw/zinc/01/84/45/343018445.db2.gz TVPJHYHHDPQAEK-NSHDSACASA-N 0 1 217.272 2.139 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc3n[nH]cc3c2)c1=O ZINC000634620340 343019226 /nfs/dbraw/zinc/01/92/26/343019226.db2.gz AFPSXEVVKXFRAC-NSHDSACASA-N 0 1 242.282 2.312 20 0 BEADMN CC(C)(C)CCn1[nH]c2c(c1=O)CSCC2 ZINC000634620576 343019713 /nfs/dbraw/zinc/01/97/13/343019713.db2.gz ISBOEDFHSSABGV-VIFPVBQESA-N 0 1 240.372 2.374 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@](C)(C(N)=O)C2)o1 ZINC000335905616 136260729 /nfs/dbraw/zinc/26/07/29/136260729.db2.gz GUKQSDIPWZXZFJ-BXKDBHETSA-N 0 1 237.303 2.291 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCF)CC2 ZINC000212063015 343020804 /nfs/dbraw/zinc/02/08/04/343020804.db2.gz UNFJSMCDEAHZPD-UHFFFAOYSA-N 0 1 237.274 2.103 20 0 BEADMN C[C@H]1CCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000309819210 343021284 /nfs/dbraw/zinc/02/12/84/343021284.db2.gz VYJZWIWANLMKEF-WCBMZHEXSA-N 0 1 221.304 2.225 20 0 BEADMN CC[C@H](C)N1N=C(c2ccc(OC)cc2)CC1=O ZINC000634624076 343024751 /nfs/dbraw/zinc/02/47/51/343024751.db2.gz XDGHKSKTUBNYBO-JTQLQIEISA-N 0 1 246.310 2.430 20 0 BEADMN COc1cc(F)ccc1N1N=C2CCC[C@H]2C1=O ZINC000634624795 343026333 /nfs/dbraw/zinc/02/63/33/343026333.db2.gz QQVLLBBNOOIUQJ-SECBINFHSA-N 0 1 248.257 2.337 20 0 BEADMN COc1cc(F)ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000634624795 343026335 /nfs/dbraw/zinc/02/63/35/343026335.db2.gz QQVLLBBNOOIUQJ-SECBINFHSA-N 0 1 248.257 2.337 20 0 BEADMN CCCCC1=NN([C@@H]2CCCOC2)C(=O)[C@H]1C ZINC000634623192 343026563 /nfs/dbraw/zinc/02/65/63/343026563.db2.gz YYXRNPQIPGYVPG-WDEREUQCSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n([C@@H]2CCCOC2)c(=O)c1C ZINC000634623192 343026565 /nfs/dbraw/zinc/02/65/65/343026565.db2.gz YYXRNPQIPGYVPG-WDEREUQCSA-N 0 1 238.331 2.190 20 0 BEADMN CC[C@H](C)N1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634623307 343027215 /nfs/dbraw/zinc/02/72/15/343027215.db2.gz CFKRBTQFUICECQ-CABZTGNLSA-N 0 1 228.295 2.204 20 0 BEADMN CCCc1cc(=O)n(CCc2ccccn2)[nH]1 ZINC000634616011 343012571 /nfs/dbraw/zinc/01/25/71/343012571.db2.gz YAULFSBNYWYRML-UHFFFAOYSA-N 0 1 231.299 2.013 20 0 BEADMN CC(C)[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000037994757 343042623 /nfs/dbraw/zinc/04/26/23/343042623.db2.gz NLWJFWRHCFZZAE-UHFFFAOYSA-N 0 1 221.300 2.024 20 0 BEADMN C[C@@H]1CN(Cc2ccno2)C[C@@H](C)C1(F)F ZINC000625644129 344024321 /nfs/dbraw/zinc/02/43/21/344024321.db2.gz AIOYQLOPWCQDLN-RKDXNWHRSA-N 0 1 230.258 2.398 20 0 BEADMN CC[C@H](C(=O)OC)N1CCCc2ccccc2C1 ZINC000173349477 529626300 /nfs/dbraw/zinc/62/63/00/529626300.db2.gz IDJRIPCKMJMGFR-CQSZACIVSA-N 0 1 247.338 2.386 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037979989 343031657 /nfs/dbraw/zinc/03/16/57/343031657.db2.gz ODDPSZWLNYFEJW-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037979989 343031659 /nfs/dbraw/zinc/03/16/59/343031659.db2.gz ODDPSZWLNYFEJW-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CC1=NN([C@@H](C)COc2ccccc2)C(=O)[C@H]1C ZINC000634629653 343032614 /nfs/dbraw/zinc/03/26/14/343032614.db2.gz YXMRPYOLRJQQHO-QWRGUYRKSA-N 0 1 246.310 2.308 20 0 BEADMN Cc1[nH]n([C@@H](C)COc2ccccc2)c(=O)c1C ZINC000634629653 343032617 /nfs/dbraw/zinc/03/26/17/343032617.db2.gz YXMRPYOLRJQQHO-QWRGUYRKSA-N 0 1 246.310 2.308 20 0 BEADMN CC1=NN([C@@H](C)COc2ccccc2)C(=O)[C@@H]1C ZINC000634629654 343032790 /nfs/dbraw/zinc/03/27/90/343032790.db2.gz YXMRPYOLRJQQHO-WDEREUQCSA-N 0 1 246.310 2.308 20 0 BEADMN Cc1[nH]n([C@@H](C)COc2ccccc2)c(=O)c1C ZINC000634629654 343032792 /nfs/dbraw/zinc/03/27/92/343032792.db2.gz YXMRPYOLRJQQHO-WDEREUQCSA-N 0 1 246.310 2.308 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@H]2CCSC2)[nH]1 ZINC000634627556 343033429 /nfs/dbraw/zinc/03/34/29/343033429.db2.gz FRVSIVJFOSNDJX-BDAKNGLRSA-N 0 1 226.345 2.126 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(C[C@@H]2CCSC2)[nH]1 ZINC000634628855 343035958 /nfs/dbraw/zinc/03/59/58/343035958.db2.gz HJDQDRHHOZDSBJ-ZJUUUORDSA-N 0 1 240.372 2.374 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1C[C@H]1CCSC1 ZINC000634629274 343036579 /nfs/dbraw/zinc/03/65/79/343036579.db2.gz QIHFRSFXGAFCIK-SECBINFHSA-N 0 1 238.356 2.128 20 0 BEADMN Cc1[nH]n(CC2(C)CCCC2)c(=O)c1C ZINC000634630483 343039288 /nfs/dbraw/zinc/03/92/88/343039288.db2.gz XAIQOYZGGZTCEF-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN COc1ccnc(CN2C3CCC2CC3)c1OC ZINC000530549435 343045879 /nfs/dbraw/zinc/04/58/79/343045879.db2.gz NYSOENADJVBVLA-UHFFFAOYSA-N 0 1 248.326 2.226 20 0 BEADMN Cc1cc(=O)n([C@@H]2CCc3c2cccc3F)[nH]1 ZINC000634632031 343043480 /nfs/dbraw/zinc/04/34/80/343043480.db2.gz IELCWJZONLCNNC-GFCCVEGCSA-N 0 1 232.258 2.421 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@@H]2CCOC2(C)C)[nH]1 ZINC000634632517 343043815 /nfs/dbraw/zinc/04/38/15/343043815.db2.gz TVSRIFOSXHIMME-GXSJLCMTSA-N 0 1 238.331 2.188 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@@H]2CCOC2(C)C)[nH]1 ZINC000634632519 343043902 /nfs/dbraw/zinc/04/39/02/343043902.db2.gz TVSRIFOSXHIMME-MWLCHTKSSA-N 0 1 238.331 2.188 20 0 BEADMN OCC[C@H]1CCCN1Cc1c(F)cccc1F ZINC000310331733 192059001 /nfs/dbraw/zinc/05/90/01/192059001.db2.gz YWEZZLXKORTKKO-SNVBAGLBSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1ccc(CN(CCn2cccn2)C2CC2)o1 ZINC000139911117 343068347 /nfs/dbraw/zinc/06/83/47/343068347.db2.gz QYYYRIFRTYHZLA-UHFFFAOYSA-N 0 1 245.326 2.449 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccccc1Cl ZINC000037990304 187230516 /nfs/dbraw/zinc/23/05/16/187230516.db2.gz BORLIIIMTVSVTK-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN CCC[C@H](OCC)c1nc(C2(N)CCC2)no1 ZINC000634556465 362046512 /nfs/dbraw/zinc/04/65/12/362046512.db2.gz TVWCDTBZRYTUGY-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN CCC(O)(CC)CN[C@H](C)c1nccs1 ZINC000083463586 168424432 /nfs/dbraw/zinc/42/44/32/168424432.db2.gz UPWWHIZOIXGTJV-SECBINFHSA-N 0 1 228.361 2.345 20 0 BEADMN CN[C@H](C)c1cn(C/C=C/c2ccccc2)nn1 ZINC000640833418 362061828 /nfs/dbraw/zinc/06/18/28/362061828.db2.gz OMLZSJHMGNYBNM-UVMWJGKXSA-N 0 1 242.326 2.272 20 0 BEADMN Cc1oncc1CN1CCC(n2cccn2)CC1 ZINC000128597234 187233084 /nfs/dbraw/zinc/23/30/84/187233084.db2.gz HYIWRMUVMGNBLB-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)N1CC(C)C1 ZINC000576884787 365714686 /nfs/dbraw/zinc/71/46/86/365714686.db2.gz FYLIGPVWGYKXHL-YNEHKIRRSA-N 0 1 238.375 2.116 20 0 BEADMN Clc1nccnc1NCCN1CCCCC1 ZINC000043538214 343133397 /nfs/dbraw/zinc/13/33/97/343133397.db2.gz QXNLOBPRWNDMGF-UHFFFAOYSA-N 0 1 240.738 2.028 20 0 BEADMN C[N@@H+](Cc1ccccc1C(=O)[O-])C1CCC1 ZINC000127583797 343178531 /nfs/dbraw/zinc/17/85/31/343178531.db2.gz NQQJUQKZSGIBQB-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN Cc1nnc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000247214669 343180035 /nfs/dbraw/zinc/18/00/35/343180035.db2.gz CNQQNRMJNQVNAF-GHMZBOCLSA-N 0 1 221.304 2.143 20 0 BEADMN CSCCNCc1csc(C2CC2)n1 ZINC000113313334 343157256 /nfs/dbraw/zinc/15/72/56/343157256.db2.gz FEWXWYUMFLALLO-UHFFFAOYSA-N 0 1 228.386 2.473 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1occc1C(=O)[O-] ZINC000123858484 343166615 /nfs/dbraw/zinc/16/66/15/343166615.db2.gz UEGZJJIMFOSEGK-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000144697444 343197846 /nfs/dbraw/zinc/19/78/46/343197846.db2.gz LRLCARXUADOVNU-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000158008529 343200407 /nfs/dbraw/zinc/20/04/07/343200407.db2.gz FDQQJJQAPUDDQD-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ncccc1C ZINC000161042747 343203875 /nfs/dbraw/zinc/20/38/75/343203875.db2.gz DQKOZSABJZEGQC-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000164540312 343207562 /nfs/dbraw/zinc/20/75/62/343207562.db2.gz OLTXYGYFIDSFMK-UWVGGRQHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000164540231 343207856 /nfs/dbraw/zinc/20/78/56/343207856.db2.gz OLTXYGYFIDSFMK-ZJUUUORDSA-N 0 1 234.299 2.010 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000165522019 343211682 /nfs/dbraw/zinc/21/16/82/343211682.db2.gz GHNZSTCZVWOQHN-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CN[C@H]2CCCc3c2cnn3C)o1 ZINC000030908731 343212910 /nfs/dbraw/zinc/21/29/10/343212910.db2.gz BTAZSRWIRXAAJE-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN C[C@H]1SCC[N@@H+](CCCCCC(=O)[O-])[C@@H]1C ZINC000132555381 343188530 /nfs/dbraw/zinc/18/85/30/343188530.db2.gz NCJZNFMMDYPLNX-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN C[C@H]1SCC[N@@H+](CCCCCC(=O)[O-])[C@H]1C ZINC000132555593 343188645 /nfs/dbraw/zinc/18/86/45/343188645.db2.gz NCJZNFMMDYPLNX-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN C[C@@H]1SCC[N@@H+](CCCCCC(=O)[O-])[C@H]1C ZINC000132555167 343188741 /nfs/dbraw/zinc/18/87/41/343188741.db2.gz NCJZNFMMDYPLNX-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCCF ZINC000088026088 136283828 /nfs/dbraw/zinc/28/38/28/136283828.db2.gz YYEJEGFINWCMAK-JTQLQIEISA-N 0 1 217.284 2.065 20 0 BEADMN CC1(C)C[C@@H](NCc2ccon2)C(C)(C)O1 ZINC000088052782 136284566 /nfs/dbraw/zinc/28/45/66/136284566.db2.gz WDFXIZREUGXTPS-SNVBAGLBSA-N 0 1 224.304 2.110 20 0 BEADMN CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000625340441 343241003 /nfs/dbraw/zinc/24/10/03/343241003.db2.gz CHHXKJGNSYAJDT-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000272856940 187336993 /nfs/dbraw/zinc/33/69/93/187336993.db2.gz WPHNMEMAHXOHIY-VIFPVBQESA-N 0 1 229.270 2.432 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(F)cc1F ZINC000272856940 187336995 /nfs/dbraw/zinc/33/69/95/187336995.db2.gz WPHNMEMAHXOHIY-VIFPVBQESA-N 0 1 229.270 2.432 20 0 BEADMN CCN(CC)CC(=O)Nc1ccccc1F ZINC000033639664 343258082 /nfs/dbraw/zinc/25/80/82/343258082.db2.gz BPCRNNJTJWYIFW-UHFFFAOYSA-N 0 1 224.279 2.106 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccc(C)c(F)c2)nn1 ZINC000641036682 362149146 /nfs/dbraw/zinc/14/91/46/362149146.db2.gz XBTGCIFOBYSTDI-JTQLQIEISA-N 0 1 248.305 2.054 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000380179436 343321723 /nfs/dbraw/zinc/32/17/23/343321723.db2.gz FVXCBCFWYXPOHW-IONNQARKSA-N 0 1 209.293 2.217 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000035303779 343293044 /nfs/dbraw/zinc/29/30/44/343293044.db2.gz FGXRVXDHQZYPKP-CYBMUJFWSA-N 0 1 249.310 2.005 20 0 BEADMN CC[C@H](c1ccc(F)cc1)n1cc(CNC)nn1 ZINC000641059412 362169151 /nfs/dbraw/zinc/16/91/51/362169151.db2.gz OZSSTRRAJSSUPS-CYBMUJFWSA-N 0 1 248.305 2.136 20 0 BEADMN CC(C)(C(=O)NCCCC1CCC1)c1cnc[nH]1 ZINC000618614028 343307469 /nfs/dbraw/zinc/30/74/69/343307469.db2.gz GXHFVAAEDUTADY-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C1CCCC1 ZINC000584063269 343312201 /nfs/dbraw/zinc/31/22/01/343312201.db2.gz MPPGWPUXBUMDGT-GHMZBOCLSA-N 0 1 249.358 2.283 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCCC1CCC1 ZINC000618614156 343312481 /nfs/dbraw/zinc/31/24/81/343312481.db2.gz FFCLAKMNZDOIEW-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCC(C)(F)F)C1CCC1 ZINC000584064725 343312657 /nfs/dbraw/zinc/31/26/57/343312657.db2.gz LFCMOSDHSRRLLI-MRVPVSSYSA-N 0 1 235.274 2.359 20 0 BEADMN CCC(O)(CC)C(C)(C)CNCc1cocn1 ZINC000584064993 343312666 /nfs/dbraw/zinc/31/26/66/343312666.db2.gz UEZCHUVHRZOXPW-UHFFFAOYSA-N 0 1 240.347 2.342 20 0 BEADMN CCc1ccc(C(=O)NCc2cn[nH]c2C)cc1 ZINC000038011353 343365673 /nfs/dbraw/zinc/36/56/73/343365673.db2.gz ZSIIOBRNLWBZCI-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN CC1=C(C)CN(CC(=O)NCC(C)(C)C)CC1 ZINC000625387782 343369077 /nfs/dbraw/zinc/36/90/77/343369077.db2.gz XNCKFWMLIUDIPH-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnn(CC(C)C)c1 ZINC000348837003 136302215 /nfs/dbraw/zinc/30/22/15/136302215.db2.gz ZFMXAWJOLKKRJW-GFCCVEGCSA-N 0 1 239.363 2.006 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cn(C(C)C)nc1C ZINC000348836184 136302237 /nfs/dbraw/zinc/30/22/37/136302237.db2.gz CIPGEUISMRFXQZ-NSHDSACASA-N 0 1 239.363 2.239 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc2cc(C)ccn12 ZINC000348832611 136303323 /nfs/dbraw/zinc/30/33/23/136303323.db2.gz JOFRUHZBDJOQHZ-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)OC ZINC000070074901 187258260 /nfs/dbraw/zinc/25/82/60/187258260.db2.gz PCBAFIROKNZVJM-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H]1CCN(Cc2ncc(C)cn2)C1 ZINC000335674703 136317935 /nfs/dbraw/zinc/31/79/35/136317935.db2.gz HORRSICKXZAORZ-NSHDSACASA-N 0 1 205.305 2.017 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCCCO1)CC2 ZINC000335676558 136318551 /nfs/dbraw/zinc/31/85/51/136318551.db2.gz PXPVNMQZWVUDFQ-OAHLLOKOSA-N 0 1 247.338 2.319 20 0 BEADMN c1nc(CN2CCC[C@@H]3COCC[C@@H]32)cs1 ZINC000335658658 136307194 /nfs/dbraw/zinc/30/71/94/136307194.db2.gz AWDDGWCUFSQKKA-PWSUYJOCSA-N 0 1 238.356 2.144 20 0 BEADMN N=C(N)Nc1nc(COc2ccccc2)cs1 ZINC000348964382 136310769 /nfs/dbraw/zinc/31/07/69/136310769.db2.gz KYLGBTSGPDCMIP-UHFFFAOYSA-N 0 1 248.311 2.027 20 0 BEADMN Cc1cnn(C)c1-c1nc2ccc(F)cc2[nH]1 ZINC000349010023 136311314 /nfs/dbraw/zinc/31/13/14/136311314.db2.gz SSHAUBFIUBZWQE-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc(C)s1 ZINC000335669965 136313133 /nfs/dbraw/zinc/31/31/33/136313133.db2.gz YUDQAXGTVWNHGZ-SCZZXKLOSA-N 0 1 225.361 2.467 20 0 BEADMN Cc1cnc(C(=O)N(C)c2ccccc2)c(O)c1 ZINC000335663999 136316143 /nfs/dbraw/zinc/31/61/43/136316143.db2.gz ZSPDAMIEXJVCGS-UHFFFAOYSA-N 0 1 242.278 2.372 20 0 BEADMN C[C@H]1C[C@H](NCc2cccc(O)c2Cl)CO1 ZINC000335664623 136316672 /nfs/dbraw/zinc/31/66/72/136316672.db2.gz UVQJHHDZKSLWML-WPRPVWTQSA-N 0 1 241.718 2.313 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2cccc(C)c2)nn1 ZINC000641075785 362185082 /nfs/dbraw/zinc/18/50/82/362185082.db2.gz XKZJXAQKWZJNCX-VXGBXAGGSA-N 0 1 244.342 2.476 20 0 BEADMN CCNCc1cn(CC2CCCCCC2)nn1 ZINC000641080362 362195140 /nfs/dbraw/zinc/19/51/40/362195140.db2.gz KNRUKVPSPAWZNF-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN O=S(=O)(Nc1ccccc1)c1ccoc1 ZINC000039121813 343385960 /nfs/dbraw/zinc/38/59/60/343385960.db2.gz CZDZJMSOMOIAFL-UHFFFAOYSA-N 0 1 223.253 2.080 20 0 BEADMN C[C@H](N[C@@H]1CCOC(C)(C)C1)c1csnn1 ZINC000398313047 343401301 /nfs/dbraw/zinc/40/13/01/343401301.db2.gz BXGZACFIQWNWOH-DTWKUNHWSA-N 0 1 241.360 2.146 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(CC(C)C)C2 ZINC000609312943 343406754 /nfs/dbraw/zinc/40/67/54/343406754.db2.gz PFDOHUCKNWTSHN-UHFFFAOYSA-N 0 1 233.311 2.445 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1csc(C)n1 ZINC000041010665 343412319 /nfs/dbraw/zinc/41/23/19/343412319.db2.gz IKNRYGSJXQPNLN-NWDGAFQWSA-N 0 1 240.372 2.499 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000335698243 136327794 /nfs/dbraw/zinc/32/77/94/136327794.db2.gz NGNBXHHREOXKME-QWHCGFSZSA-N 0 1 238.375 2.262 20 0 BEADMN Cc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)n[nH]1 ZINC000335699208 136328114 /nfs/dbraw/zinc/32/81/14/136328114.db2.gz ACDJLECXFSRASP-LLVKDONJSA-N 0 1 233.315 2.146 20 0 BEADMN CSc1ccc(CNCc2cnn(C)c2)cc1 ZINC000041159012 343416060 /nfs/dbraw/zinc/41/60/60/343416060.db2.gz NCEFXSPDKNSXLA-UHFFFAOYSA-N 0 1 247.367 2.432 20 0 BEADMN CCN(CC(=O)NCCC1=CCCC1)C1CC1 ZINC000152497946 323047062 /nfs/dbraw/zinc/04/70/62/323047062.db2.gz LZNPWKSASQLGLW-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CN[C@H](C)c1cn(CC23CCC(CC2)C3)nn1 ZINC000641085786 362208625 /nfs/dbraw/zinc/20/86/25/362208625.db2.gz CMLPJZJFWUXQGZ-XSRFYTQQSA-N 0 1 234.347 2.139 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2ncccn2)C1 ZINC000335731318 136349214 /nfs/dbraw/zinc/34/92/14/136349214.db2.gz OXGOHCHNKFTTRW-LBPRGKRZSA-N 0 1 219.332 2.345 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)CCC[C@H]2C)[nH]1 ZINC000335734532 136349909 /nfs/dbraw/zinc/34/99/09/136349909.db2.gz RLFAFRFSVIXZAA-NXEZZACHSA-N 0 1 235.331 2.369 20 0 BEADMN CN[C@H](C)c1cn(Cc2cc(C)ccc2F)nn1 ZINC000641090799 362216777 /nfs/dbraw/zinc/21/67/77/362216777.db2.gz KGKNFGOFQNTUIL-SNVBAGLBSA-N 0 1 248.305 2.054 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000335719020 136340297 /nfs/dbraw/zinc/34/02/97/136340297.db2.gz PGUBMDKTHXJBDJ-TXEJJXNPSA-N 0 1 217.316 2.017 20 0 BEADMN CC[C@H](C)C[N@H+](CCN(C)C)Cc1ccccn1 ZINC000349316152 136341147 /nfs/dbraw/zinc/34/11/47/136341147.db2.gz NIMDNMXSMGDTSS-AWEZNQCLSA-N 0 1 249.402 2.491 20 0 BEADMN Cn1cc(CN2CCC[C@H](C(C)(C)C)C2)nn1 ZINC000335879954 136357058 /nfs/dbraw/zinc/35/70/58/136357058.db2.gz RDTCNMGZQFJSFV-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN Oc1ccc2c(c1)CN(CC1=CCCOC1)CC2 ZINC000335897306 136359542 /nfs/dbraw/zinc/35/95/42/136359542.db2.gz ORHJJRMJANWHOC-UHFFFAOYSA-N 0 1 245.322 2.097 20 0 BEADMN Cc1cc(Cc2nc(-c3ccoc3C)no2)[nH]n1 ZINC000350464755 136361254 /nfs/dbraw/zinc/36/12/54/136361254.db2.gz GLVIXLHHIQHXLG-UHFFFAOYSA-N 0 1 244.254 2.260 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCc2ccncc2)n1 ZINC000351575698 136369244 /nfs/dbraw/zinc/36/92/44/136369244.db2.gz TYGFOPUDWMDKNQ-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCCO1 ZINC000189565433 136372172 /nfs/dbraw/zinc/37/21/72/136372172.db2.gz HQKBEZMJQLGJIY-UHFFFAOYSA-N 0 1 237.303 2.009 20 0 BEADMN CCCCCN(C)C(C)(C)C(=O)OC ZINC000258862970 136374205 /nfs/dbraw/zinc/37/42/05/136374205.db2.gz TWRRVLQDXUXAAH-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278884597 187341233 /nfs/dbraw/zinc/34/12/33/187341233.db2.gz PPWGEUKQVNMJBB-LLVKDONJSA-N 0 1 238.306 2.472 20 0 BEADMN CC[C@@H](C)C[C@H](C)NCc1csnn1 ZINC000083863617 343506841 /nfs/dbraw/zinc/50/68/41/343506841.db2.gz RRBKBFVGZAPLTE-BDAKNGLRSA-N 0 1 213.350 2.452 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](CCCCC(=O)[O-])C1 ZINC000084049471 343515939 /nfs/dbraw/zinc/51/59/39/343515939.db2.gz UANWPSQMLHAWDQ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000045471872 343529814 /nfs/dbraw/zinc/52/98/14/343529814.db2.gz GYLPEFCHTOCCEX-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN CCCC[N@H+](CC(N)=O)CC1CCCCC1 ZINC000045805572 343534363 /nfs/dbraw/zinc/53/43/63/343534363.db2.gz MGSGROPZLKSDEX-UHFFFAOYSA-N 0 1 226.364 2.154 20 0 BEADMN CCCN(C(=O)[C@@H]1CCc2[nH]cnc2C1)C(C)C ZINC000616695811 343541421 /nfs/dbraw/zinc/54/14/21/343541421.db2.gz LELFCLRMNLKYQR-LLVKDONJSA-N 0 1 249.358 2.162 20 0 BEADMN Cc1nc(F)ccc1C[N@@H+]1CC[C@H](C)C1 ZINC000278409409 187341181 /nfs/dbraw/zinc/34/11/81/187341181.db2.gz GXLIXRVIBCFULY-VIFPVBQESA-N 0 1 208.280 2.371 20 0 BEADMN CC(C)[C@@H](N)c1noc(Cc2cccc(F)c2)n1 ZINC000041123401 187264404 /nfs/dbraw/zinc/26/44/04/187264404.db2.gz BMTOROXGOXWCLM-GFCCVEGCSA-N 0 1 249.289 2.455 20 0 BEADMN Cn1ccnc1CNCc1cccc2[nH]ccc21 ZINC000070940358 343574312 /nfs/dbraw/zinc/57/43/12/343574312.db2.gz XTJQTVSCHHFTSP-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1C(=O)[O-] ZINC000398732758 488223720 /nfs/dbraw/zinc/22/37/20/488223720.db2.gz NAHMHJFFWNSRKG-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CCC[C@@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000568165308 343557707 /nfs/dbraw/zinc/55/77/07/343557707.db2.gz KTNUYDZANXDEID-NWDGAFQWSA-N 0 1 248.374 2.462 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NCc1cnc[nH]1 ZINC000308088606 259364727 /nfs/dbraw/zinc/36/47/27/259364727.db2.gz NPRXZXISQMIPGW-SNVBAGLBSA-N 0 1 223.320 2.098 20 0 BEADMN CCCCN(C(=O)c1cc(C)[nH]n1)C1CC1 ZINC000048697772 343586266 /nfs/dbraw/zinc/58/62/66/343586266.db2.gz NSBBEAQZPBYSQJ-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN CCc1ncc(CN(CCOC)C2CC2)s1 ZINC000507172025 529752741 /nfs/dbraw/zinc/75/27/41/529752741.db2.gz YVITXXSUBGGBJB-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CC(C)c1cc(C(=O)N(C)CC2CC2)n[nH]1 ZINC000049251721 343595018 /nfs/dbraw/zinc/59/50/18/343595018.db2.gz LUFVKCYHMHVGCZ-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN Cc1nn(C(C)C)cc1C[N@@H+](C)C1CC1 ZINC000281507004 187342817 /nfs/dbraw/zinc/34/28/17/187342817.db2.gz HANRWEXICIOKQF-UHFFFAOYSA-N 0 1 207.321 2.367 20 0 BEADMN Cc1nn(C(C)C)cc1CN(C)C1CC1 ZINC000281507004 187342818 /nfs/dbraw/zinc/34/28/18/187342818.db2.gz HANRWEXICIOKQF-UHFFFAOYSA-N 0 1 207.321 2.367 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC(C)(C)C2)n1 ZINC000192606067 365779575 /nfs/dbraw/zinc/77/95/75/365779575.db2.gz ZRBPUNMIMMAXOM-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCC(C)(C)C2)n1 ZINC000192606067 365779581 /nfs/dbraw/zinc/77/95/81/365779581.db2.gz ZRBPUNMIMMAXOM-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN CCc1nc(CN[C@H](C)[C@@H]2CCCO2)cs1 ZINC000049591269 343603948 /nfs/dbraw/zinc/60/39/48/343603948.db2.gz SFCTUSAVBWWDIP-KOLCDFICSA-N 0 1 240.372 2.363 20 0 BEADMN CC[C@@H](CC(=O)N(C)CC1CN(C)C1)C(C)C ZINC000618194142 343604905 /nfs/dbraw/zinc/60/49/05/343604905.db2.gz RLUAOYFMJJZJLX-ZDUSSCGKSA-N 0 1 240.391 2.079 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCC(CCF)CC1 ZINC000602947052 349818964 /nfs/dbraw/zinc/81/89/64/349818964.db2.gz HJUDSLIKZOJCNP-GFCCVEGCSA-N 0 1 243.322 2.010 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CCCCCF ZINC000634696822 343634536 /nfs/dbraw/zinc/63/45/36/343634536.db2.gz OOVWROKRJAXZSX-UHFFFAOYSA-N 0 1 229.295 2.208 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)c1n[nH]c2ccccc21 ZINC000620085332 343648238 /nfs/dbraw/zinc/64/82/38/343648238.db2.gz OFIHSHSDEFXCJJ-CQSZACIVSA-N 0 1 243.310 2.481 20 0 BEADMN COCCCN1CCC[C@H]1c1cc(C)on1 ZINC000051475584 343625814 /nfs/dbraw/zinc/62/58/14/343625814.db2.gz QTAKMRXJQLYUGM-LBPRGKRZSA-N 0 1 224.304 2.156 20 0 BEADMN C[C@@H](NCc1ccc[nH]c1=O)c1ccoc1 ZINC000624258899 343626350 /nfs/dbraw/zinc/62/63/50/343626350.db2.gz XCSQRBKKHNCXJJ-SECBINFHSA-N 0 1 218.256 2.231 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CCC(F)(F)F ZINC000634696308 343629108 /nfs/dbraw/zinc/62/91/08/343629108.db2.gz SJDSBRQLFWPSJO-UHFFFAOYSA-N 0 1 237.221 2.020 20 0 BEADMN Cc1nccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c1Cl ZINC000384561657 343629140 /nfs/dbraw/zinc/62/91/40/343629140.db2.gz HVTAXJOMQXIODI-BCMRRPTOSA-N 0 1 240.734 2.443 20 0 BEADMN CC[C@@H](C)C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696653 343633838 /nfs/dbraw/zinc/63/38/38/343633838.db2.gz HDWXUKHZWBQIIX-GRZMOONWSA-N 0 1 211.305 2.114 20 0 BEADMN CCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000047959535 343674703 /nfs/dbraw/zinc/67/47/03/343674703.db2.gz JWULERIBGGBWIX-LBPRGKRZSA-N 0 1 234.343 2.124 20 0 BEADMN CO[C@H]1C[C@H](N[C@@H]2CCCc3scnc32)C1 ZINC000624300841 343678666 /nfs/dbraw/zinc/67/86/66/343678666.db2.gz SQEXYVSXYZQCFR-OPRDCNLKSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1nc(CN(C)c2ccccc2C)n[nH]1 ZINC000622764420 343649516 /nfs/dbraw/zinc/64/95/16/343649516.db2.gz KEOUZFKQGRXCSQ-UHFFFAOYSA-N 0 1 216.288 2.058 20 0 BEADMN CC1(C)COCCN1CC[C@H](O)c1ccccc1 ZINC000053933344 343654170 /nfs/dbraw/zinc/65/41/70/343654170.db2.gz AEOMQEDMYHTYQQ-AWEZNQCLSA-N 0 1 249.354 2.221 20 0 BEADMN CCc1nc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000087689688 343657870 /nfs/dbraw/zinc/65/78/70/343657870.db2.gz CFUZNEAEQOZWFK-VWYCJHECSA-N 0 1 238.356 2.115 20 0 BEADMN CCN(CC(=O)NC1CC1)Cc1ccccc1C ZINC000048059275 343706924 /nfs/dbraw/zinc/70/69/24/343706924.db2.gz KVKVEAFUVOZOTQ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2ncccc2[O-])[C@H]1C ZINC000570365318 323057462 /nfs/dbraw/zinc/05/74/62/323057462.db2.gz HJAMWXWHPANCSR-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2[O-])[C@H]1C ZINC000570365318 323057463 /nfs/dbraw/zinc/05/74/63/323057463.db2.gz HJAMWXWHPANCSR-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN CCN(Cc1cnc(C2CC2)o1)C[C@H](C)OC ZINC000628290508 346960718 /nfs/dbraw/zinc/96/07/18/346960718.db2.gz HCXQOHUGNFRNSX-JTQLQIEISA-N 0 1 238.331 2.409 20 0 BEADMN CCCN(CCC1CC1)CC(=O)OCC ZINC000088493451 343726128 /nfs/dbraw/zinc/72/61/28/343726128.db2.gz FKLMJDWAINTCCF-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN C[C@@H](NC(=O)CN1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000625448765 343774563 /nfs/dbraw/zinc/77/45/63/343774563.db2.gz POJJNZQYZFNUDH-XQQFMLRXSA-N 0 1 246.354 2.204 20 0 BEADMN COC(=O)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999528 349852029 /nfs/dbraw/zinc/85/20/29/349852029.db2.gz JYYWBSKVKDVGRF-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN COC(=O)CN1CCC[C@H](C2CCC2)CC1 ZINC000602999528 349852030 /nfs/dbraw/zinc/85/20/30/349852030.db2.gz JYYWBSKVKDVGRF-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000619346941 343757104 /nfs/dbraw/zinc/75/71/04/343757104.db2.gz HJFXYQGUKIWJOL-NXEZZACHSA-N 0 1 233.315 2.015 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000336448803 537810971 /nfs/dbraw/zinc/81/09/71/537810971.db2.gz VQOXACVSACJTJT-GMSGAONNSA-N 0 1 247.273 2.230 20 0 BEADMN CC1(C)CCCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000336509386 537813550 /nfs/dbraw/zinc/81/35/50/537813550.db2.gz OTYBCGBBWJFUMU-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN CC(C)[C@@H]1CN(Cc2cncs2)CCCO1 ZINC000294239507 187350181 /nfs/dbraw/zinc/35/01/81/187350181.db2.gz ZTCUQCCZFUABKH-LBPRGKRZSA-N 0 1 240.372 2.390 20 0 BEADMN CC(C)[N@@H+](CCc1cscn1)[C@H]1CCOC1 ZINC000295185861 187351211 /nfs/dbraw/zinc/35/12/11/187351211.db2.gz JVYFCNWIVAMTRB-LBPRGKRZSA-N 0 1 240.372 2.185 20 0 BEADMN CC(=O)[C@H](C)Sc1nnc(C(C)(C)C)[nH]1 ZINC000031800274 187274237 /nfs/dbraw/zinc/27/42/37/187274237.db2.gz QSVFRIHOAHDOOU-ZETCQYMHSA-N 0 1 227.333 2.172 20 0 BEADMN CC1(C)COC[C@@H]1NCc1ccncc1Cl ZINC000313068706 343828686 /nfs/dbraw/zinc/82/86/86/343828686.db2.gz RGUOCIYYCYVITF-NSHDSACASA-N 0 1 240.734 2.250 20 0 BEADMN CC[C@@H]1C[C@H](CNCC(C)(F)F)CCO1 ZINC000393495753 343882680 /nfs/dbraw/zinc/88/26/80/343882680.db2.gz VXRGXYSSCBZYPX-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN CSCCCN1CCC(=O)CC12CCC2 ZINC000565900153 343883775 /nfs/dbraw/zinc/88/37/75/343883775.db2.gz GYPFQCSYMSEPOJ-UHFFFAOYSA-N 0 1 227.373 2.327 20 0 BEADMN CCSCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000345366116 343911310 /nfs/dbraw/zinc/91/13/10/343911310.db2.gz YXSQYDWMWPVUNJ-VHSXEESVSA-N 0 1 225.361 2.232 20 0 BEADMN CCOC1CC(N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000345355857 343908925 /nfs/dbraw/zinc/90/89/25/343908925.db2.gz NTDHNMFACOQGOH-XKGSQUFQSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@H](CCO)N(C)Cc1cc(O)ccc1Cl ZINC000625514813 343914973 /nfs/dbraw/zinc/91/49/73/343914973.db2.gz UNUVZGMHFXBXCR-SECBINFHSA-N 0 1 243.734 2.248 20 0 BEADMN CC[C@@H](CC(F)F)Cn1cc([C@@H](C)NC)nn1 ZINC000641182888 362259550 /nfs/dbraw/zinc/25/95/50/362259550.db2.gz UXNIRNDRDSKUJP-BDAKNGLRSA-N 0 1 246.305 2.240 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H]2C)c1 ZINC000641243277 362292484 /nfs/dbraw/zinc/29/24/84/362292484.db2.gz PLJKNANFQXULIQ-VIFPVBQESA-N 0 1 229.283 2.106 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000235286433 343948898 /nfs/dbraw/zinc/94/88/98/343948898.db2.gz XUIRMLGOMIUADZ-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000070287292 343950301 /nfs/dbraw/zinc/95/03/01/343950301.db2.gz LRTKZLPBSCXXRU-JTQLQIEISA-N 0 1 229.283 2.091 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000070738236 343955359 /nfs/dbraw/zinc/95/53/59/343955359.db2.gz JWWHJAZDUKVKEE-GFCCVEGCSA-N 0 1 248.370 2.422 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccccc1 ZINC000070738236 343955361 /nfs/dbraw/zinc/95/53/61/343955361.db2.gz JWWHJAZDUKVKEE-GFCCVEGCSA-N 0 1 248.370 2.422 20 0 BEADMN C[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000628117421 343966192 /nfs/dbraw/zinc/96/61/92/343966192.db2.gz IHGSEXQJGPOERZ-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN Oc1ccc2c(c1)CN(CC[C@H]1CCCO1)C2 ZINC000625728165 344059460 /nfs/dbraw/zinc/05/94/60/344059460.db2.gz XLLURTMHCNCHQT-CQSZACIVSA-N 0 1 233.311 2.277 20 0 BEADMN C[C@@H]1C[C@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728407 344060162 /nfs/dbraw/zinc/06/01/62/344060162.db2.gz OBVQCXRSKYHRKU-KOLCDFICSA-N 0 1 203.285 2.364 20 0 BEADMN C[C@@H]1C[C@@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728408 344060193 /nfs/dbraw/zinc/06/01/93/344060193.db2.gz OBVQCXRSKYHRKU-MWLCHTKSSA-N 0 1 203.285 2.364 20 0 BEADMN O[C@@H](CN1CCCC(F)(F)CC1)C(F)(F)F ZINC000625770242 344066233 /nfs/dbraw/zinc/06/62/33/344066233.db2.gz ISMZEKUKVGBFRI-ZETCQYMHSA-N 0 1 247.207 2.031 20 0 BEADMN CCCCNC(=O)CN1CCCC(F)(F)CC1 ZINC000625764188 344067601 /nfs/dbraw/zinc/06/76/01/344067601.db2.gz BKBGUKZOBQDYFQ-UHFFFAOYSA-N 0 1 248.317 2.024 20 0 BEADMN CN(CCc1nccs1)Cc1cncs1 ZINC000093843783 187287140 /nfs/dbraw/zinc/28/71/40/187287140.db2.gz XDABOXVIBZZQFX-UHFFFAOYSA-N 0 1 239.369 2.274 20 0 BEADMN CC(C)C[C@H](C)CC(=O)NCc1cnc[nH]1 ZINC000331089345 187358591 /nfs/dbraw/zinc/35/85/91/187358591.db2.gz UAYJJNGCJHAYPQ-JTQLQIEISA-N 0 1 223.320 2.098 20 0 BEADMN Clc1cscc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634746055 344175796 /nfs/dbraw/zinc/17/57/96/344175796.db2.gz DNMBLGQNSTWCSL-DTORHVGOSA-N 0 1 243.759 2.480 20 0 BEADMN CC1(C)CC[C@@H](CN2CCO[C@@H]3CCC[C@@H]32)O1 ZINC000625853574 344126131 /nfs/dbraw/zinc/12/61/31/344126131.db2.gz RXRSODBGXMJDDN-RWMBFGLXSA-N 0 1 239.359 2.197 20 0 BEADMN CCc1noc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000309968824 344153551 /nfs/dbraw/zinc/15/35/51/344153551.db2.gz OOWBQJJRIUGLBQ-VHSXEESVSA-N 0 1 223.320 2.300 20 0 BEADMN CC[C@@H]1CN(Cc2cccc3n[nH]cc32)CCO1 ZINC000628129256 344157457 /nfs/dbraw/zinc/15/74/57/344157457.db2.gz SPOYWFYHQTZFJI-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN FC(F)[C@@H]1CC[N@H+](C2CCCC2)CCO1 ZINC000634757294 344220305 /nfs/dbraw/zinc/22/03/05/344220305.db2.gz OSLVSKFERVRLCG-JTQLQIEISA-N 0 1 219.275 2.285 20 0 BEADMN CC1(C)CCC[C@@H]1NCc1csnn1 ZINC000086873303 344224245 /nfs/dbraw/zinc/22/42/45/344224245.db2.gz LUAZLJSMVHWDHT-VIFPVBQESA-N 0 1 211.334 2.206 20 0 BEADMN CCCN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000130707218 344224310 /nfs/dbraw/zinc/22/43/10/344224310.db2.gz FAQSAQZSGNGIMG-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN Cc1ccc(CN[C@@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000631088470 344267232 /nfs/dbraw/zinc/26/72/32/344267232.db2.gz BUZCFIXXHUFBAG-WCQYABFASA-N 0 1 235.302 2.161 20 0 BEADMN CC(C)C[N@@H+](Cc1ccc(CO)o1)C1CC1 ZINC000092009106 344287498 /nfs/dbraw/zinc/28/74/98/344287498.db2.gz NLOBXYVNQHXDTK-UHFFFAOYSA-N 0 1 223.316 2.392 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000088795618 344241783 /nfs/dbraw/zinc/24/17/83/344241783.db2.gz ZGJAJEFDTYHMCG-CYBMUJFWSA-N 0 1 233.311 2.290 20 0 BEADMN CCCC1(CNCc2csnn2)CC1 ZINC000133456878 344318326 /nfs/dbraw/zinc/31/83/26/344318326.db2.gz XAZQFCRMLBYZHU-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000400125560 344326730 /nfs/dbraw/zinc/32/67/30/344326730.db2.gz PIDCLAPVJARICA-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN C[C@@](N)(C(=O)N1CCC(C)(C)C1)c1ccccc1 ZINC000094802034 344330982 /nfs/dbraw/zinc/33/09/82/344330982.db2.gz FCKGLLPAKFLTQU-HNNXBMFYSA-N 0 1 246.354 2.119 20 0 BEADMN Cc1ccc(SCc2nn[nH]n2)cc1C ZINC000095212905 344334031 /nfs/dbraw/zinc/33/40/31/344334031.db2.gz AJCJGVGIBPZDOZ-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(F)cc1 ZINC001638760359 1172042730 /nfs/dbraw/zinc/04/27/30/1172042730.db2.gz XBWXZYGVQMFBSR-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000092925885 344305473 /nfs/dbraw/zinc/30/54/73/344305473.db2.gz GXYOGDKTLGFCGI-WCQYABFASA-N 0 1 233.311 2.290 20 0 BEADMN CCN(Cc1cc(C(=O)OC)c(C)o1)C1CC1 ZINC000097205691 344391480 /nfs/dbraw/zinc/39/14/80/344391480.db2.gz OLJQTHQIRZTVIA-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN CC(C)CCCNC(=O)[C@H]1CCCCN1C ZINC000600945507 344400322 /nfs/dbraw/zinc/40/03/22/344400322.db2.gz XZSVAZPRLVQSHM-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CC1(C)C[C@H]1NC(=O)c1ccc(F)cc1O ZINC000228308843 259375882 /nfs/dbraw/zinc/37/58/82/259375882.db2.gz BCRXRLIIZSQRCQ-SNVBAGLBSA-N 0 1 223.247 2.060 20 0 BEADMN Cc1nnc(NC(=O)c2cc3occc3s2)[nH]1 ZINC000605512587 344405520 /nfs/dbraw/zinc/40/55/20/344405520.db2.gz GHASDJXFGHWPNI-UHFFFAOYSA-N 0 1 248.267 2.173 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc3occc3s2)n1 ZINC000605512587 344405521 /nfs/dbraw/zinc/40/55/21/344405521.db2.gz GHASDJXFGHWPNI-UHFFFAOYSA-N 0 1 248.267 2.173 20 0 BEADMN CCC(CC)N(Cc1nnc(C)n1C)C1CC1 ZINC000584308091 344444465 /nfs/dbraw/zinc/44/44/65/344444465.db2.gz PPZYGWCUEFCAOU-UHFFFAOYSA-N 0 1 236.363 2.277 20 0 BEADMN COC(=O)CC[N@@H+](Cc1cccs1)C1CC1 ZINC000042240460 344446298 /nfs/dbraw/zinc/44/62/98/344446298.db2.gz LFVBEYXIUZYJED-UHFFFAOYSA-N 0 1 239.340 2.276 20 0 BEADMN O=C(NCC1CCCC1)c1ccc(F)cc1O ZINC000228307749 259375998 /nfs/dbraw/zinc/37/59/98/259375998.db2.gz YADLKPWFXJCJIH-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN Cc1nc(CN2CCC[C@@](C)(O)CC2)oc1C ZINC000230379723 344560200 /nfs/dbraw/zinc/56/02/00/344560200.db2.gz UOYMRTGFWCXNPK-CYBMUJFWSA-N 0 1 238.331 2.028 20 0 BEADMN Cc1ccc(SCc2n[nH]c(C(C)C)n2)nn1 ZINC000641457974 362428697 /nfs/dbraw/zinc/42/86/97/362428697.db2.gz OHUBAEIZWURVAP-UHFFFAOYSA-N 0 1 249.343 2.319 20 0 BEADMN Cc1csc(CNCCOCC2CCC2)n1 ZINC000309840352 259377915 /nfs/dbraw/zinc/37/79/15/259377915.db2.gz CVZOEGCSTGTHOW-UHFFFAOYSA-N 0 1 240.372 2.358 20 0 BEADMN CCc1nc([C@@H](C)Sc2ccc(C)nn2)n[nH]1 ZINC000641459177 362432111 /nfs/dbraw/zinc/43/21/11/362432111.db2.gz UVDRUUQVIFVFFS-MRVPVSSYSA-N 0 1 249.343 2.319 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CC[C@@H](C)C1 ZINC000577744113 344595366 /nfs/dbraw/zinc/59/53/66/344595366.db2.gz DRPRIJRSDJOZCV-WZRBSPASSA-N 0 1 249.358 2.235 20 0 BEADMN CCc1cnc(CNC2(CO)CCCC2)s1 ZINC000309434684 347061702 /nfs/dbraw/zinc/06/17/02/347061702.db2.gz GWTIFNGZVFBBCV-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CC1(C)C[C@H](N2CCc3c(O)cccc3C2)CO1 ZINC000626028593 344681375 /nfs/dbraw/zinc/68/13/75/344681375.db2.gz QDKNZKWAYHEHIY-LBPRGKRZSA-N 0 1 247.338 2.318 20 0 BEADMN COc1cccc2c1CN(C[C@@H]1CCOC1)C2 ZINC000626021612 344677332 /nfs/dbraw/zinc/67/73/32/344677332.db2.gz JQXXZMZUZSTOTA-NSHDSACASA-N 0 1 233.311 2.047 20 0 BEADMN C[C@H]1CC(F)(F)CCN1CCOCC(F)F ZINC000625980627 344647236 /nfs/dbraw/zinc/64/72/36/344647236.db2.gz INBCFVUEEGWXGZ-QMMMGPOBSA-N 0 1 243.244 2.388 20 0 BEADMN Cc1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1 ZINC000082312577 344736821 /nfs/dbraw/zinc/73/68/21/344736821.db2.gz KHZUISAHEURXAM-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN Cc1cccc(NC(=O)[C@H]2CCCCN2C)c1 ZINC000082321012 344749680 /nfs/dbraw/zinc/74/96/80/344749680.db2.gz ZAWVTZQNRIXYII-CYBMUJFWSA-N 0 1 232.327 2.418 20 0 BEADMN CCCCCN(CCC)CC(=O)OC ZINC000050065626 344718443 /nfs/dbraw/zinc/71/84/43/344718443.db2.gz STLLNYXEJWSGJA-UHFFFAOYSA-N 0 1 201.310 2.062 20 0 BEADMN CC/C=C\CNCc1cn2ccccc2n1 ZINC000385023200 344767569 /nfs/dbraw/zinc/76/75/69/344767569.db2.gz OTMKCKLNUFHRJW-HYXAFXHYSA-N 0 1 215.300 2.390 20 0 BEADMN CCc1nc(CSc2nc(C)cs2)n[nH]1 ZINC000181727687 347070502 /nfs/dbraw/zinc/07/05/02/347070502.db2.gz ZNOIFDQYNVLDFQ-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN C[C@@H](NCc1cnn(C)c1)c1ccsc1 ZINC000050344533 344783326 /nfs/dbraw/zinc/78/33/26/344783326.db2.gz YBJNOOJHDQWQQO-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccncc2)n1 ZINC000076024020 344791735 /nfs/dbraw/zinc/79/17/35/344791735.db2.gz RTSSIYRHJTYNDY-SNVBAGLBSA-N 0 1 232.287 2.178 20 0 BEADMN Cc1nc(CN2C[C@@H](C)[C@H](C)C2)oc1C ZINC000076111389 344795673 /nfs/dbraw/zinc/79/56/73/344795673.db2.gz MQQOSJKIWWEESP-RKDXNWHRSA-N 0 1 208.305 2.379 20 0 BEADMN C[C@H]1CCCN1Cc1nc(-c2ccccn2)no1 ZINC000076117459 344796729 /nfs/dbraw/zinc/79/67/29/344796729.db2.gz HIWSNKMHJWKGAP-JTQLQIEISA-N 0 1 244.298 2.116 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(F)cc1 ZINC000076552591 344804486 /nfs/dbraw/zinc/80/44/86/344804486.db2.gz ZRYHNDNPVSBRMR-UHFFFAOYSA-N 0 1 224.279 2.106 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1nccc(OC)n1 ZINC000583362903 344809527 /nfs/dbraw/zinc/80/95/27/344809527.db2.gz JXQFDRPOQOXOBE-QWRGUYRKSA-N 0 1 235.331 2.154 20 0 BEADMN CCN(C)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000077242217 344813420 /nfs/dbraw/zinc/81/34/20/344813420.db2.gz QQSZWKUWMGUPBY-CQSZACIVSA-N 0 1 246.354 2.302 20 0 BEADMN CC[C@H]1CCCN(Cc2nc(C)c[nH]2)C1 ZINC000628145575 344820696 /nfs/dbraw/zinc/82/06/96/344820696.db2.gz PJYIXMLOMZUQLQ-NSHDSACASA-N 0 1 207.321 2.340 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000628156101 344847821 /nfs/dbraw/zinc/84/78/21/344847821.db2.gz AVVTVLLAHCXRQG-DTORHVGOSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@H](C)C2)o1 ZINC000628156103 344847881 /nfs/dbraw/zinc/84/78/81/344847881.db2.gz AVVTVLLAHCXRQG-RKDXNWHRSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1c[nH]c(C[N@H+](C)C(C2CC2)C2CC2)n1 ZINC000628159241 344855030 /nfs/dbraw/zinc/85/50/30/344855030.db2.gz LEDHMDNCLXOGNK-UHFFFAOYSA-N 0 1 219.332 2.339 20 0 BEADMN COC(=O)[C@@H]1C[N@H+](C(C)C)Cc2ccccc21 ZINC000260331182 344870710 /nfs/dbraw/zinc/87/07/10/344870710.db2.gz CKJRIQBEDCKVRY-CYBMUJFWSA-N 0 1 233.311 2.167 20 0 BEADMN CCC[N@H+](CC(N)=O)C[C@@H]1CCCC[C@H]1CC ZINC000628292691 347084542 /nfs/dbraw/zinc/08/45/42/347084542.db2.gz PSQKTIXAPRDISN-OLZOCXBDSA-N 0 1 240.391 2.400 20 0 BEADMN COC(C)(C)C[C@H](C)NCc1ncc(C)o1 ZINC000234623144 537868350 /nfs/dbraw/zinc/86/83/50/537868350.db2.gz RJDDDDJYSUXWGT-VIFPVBQESA-N 0 1 226.320 2.276 20 0 BEADMN O=C([O-])C[N@@H+](CC1CCC(F)(F)CC1)C1CC1 ZINC000582127327 344898132 /nfs/dbraw/zinc/89/81/32/344898132.db2.gz QHJIIOKPZVWTAL-UHFFFAOYSA-N 0 1 247.285 2.361 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000583445891 344990657 /nfs/dbraw/zinc/99/06/57/344990657.db2.gz FWDGJMVLMNHBKI-GRYCIOLGSA-N 0 1 227.348 2.464 20 0 BEADMN c1ccc(CC[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154187957 345019401 /nfs/dbraw/zinc/01/94/01/345019401.db2.gz XXBNALJFADHMLJ-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@@H](C)N1 ZINC000154259308 345022891 /nfs/dbraw/zinc/02/28/91/345022891.db2.gz PFGQGHCARZDQQT-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CN(CCc1nccs1)Cc1cccnc1 ZINC000157913069 187300492 /nfs/dbraw/zinc/30/04/92/187300492.db2.gz FJJXNLIYRMUWSD-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN CC(C)CCOCCN1CCO[C@H](C)[C@H]1C ZINC000156058918 345122718 /nfs/dbraw/zinc/12/27/18/345122718.db2.gz GBQUQXUJTVXVRR-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN c1cc(CNC[C@@H]2CC23CCSCC3)no1 ZINC000634984348 345167781 /nfs/dbraw/zinc/16/77/81/345167781.db2.gz PHEKQZILIYADQA-JTQLQIEISA-N 0 1 238.356 2.298 20 0 BEADMN OC[C@@H](CC1CCCCC1)NCc1ccon1 ZINC000634984504 345168523 /nfs/dbraw/zinc/16/85/23/345168523.db2.gz UHIIFKPXLDJODB-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN Fc1ccc2c(c1)C[C@@H]1[C@@H](NCc3ccon3)[C@H]21 ZINC000634987101 345173317 /nfs/dbraw/zinc/17/33/17/345173317.db2.gz MHUYBPAKFDDGOT-BFHYXJOUSA-N 0 1 244.269 2.242 20 0 BEADMN CCOc1ccccc1CCNCc1ccon1 ZINC000634960645 345134650 /nfs/dbraw/zinc/13/46/50/345134650.db2.gz XXWUTPUEUFKGRC-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN COc1cccc(C[C@@H](C)NCc2ccon2)c1 ZINC000634961228 345135693 /nfs/dbraw/zinc/13/56/93/345135693.db2.gz OMIVJFNCLFBPDJ-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCNCc1ccon1 ZINC000634961397 345135701 /nfs/dbraw/zinc/13/57/01/345135701.db2.gz UGKXWZSTNXZFRU-CYBMUJFWSA-N 0 1 237.347 2.029 20 0 BEADMN c1cc(CNCCCNc2ccccc2)no1 ZINC000634962679 345136934 /nfs/dbraw/zinc/13/69/34/345136934.db2.gz ZARAMEWIMFJYFK-UHFFFAOYSA-N 0 1 231.299 2.266 20 0 BEADMN OCCC1(CNCc2ccon2)CCCCC1 ZINC000634967705 345142819 /nfs/dbraw/zinc/14/28/19/345142819.db2.gz VSALWXOROFRXOE-UHFFFAOYSA-N 0 1 238.331 2.097 20 0 BEADMN Cc1nc(CCNCc2ccon2)sc1C ZINC000634969462 345147041 /nfs/dbraw/zinc/14/70/41/345147041.db2.gz ONUDBNRRZLCGOY-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CC(C)C[C@@H]1C[C@H](NCc2ccon2)CCO1 ZINC000634974944 345150332 /nfs/dbraw/zinc/15/03/32/345150332.db2.gz NUDYBYVXXVVNPU-DGCLKSJQSA-N 0 1 238.331 2.358 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccon2)n[nH]1 ZINC000634977802 345154391 /nfs/dbraw/zinc/15/43/91/345154391.db2.gz KYOVMXFHBOXVSW-RKDXNWHRSA-N 0 1 249.318 2.157 20 0 BEADMN Cc1cc(CCNCc2ccon2)cc(C)c1O ZINC000634978235 345154768 /nfs/dbraw/zinc/15/47/68/345154768.db2.gz WZIXUJOJCVRQNV-UHFFFAOYSA-N 0 1 246.310 2.329 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000635021703 345224202 /nfs/dbraw/zinc/22/42/02/345224202.db2.gz JLSZKWABDMNIRO-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635065493 345237015 /nfs/dbraw/zinc/23/70/15/345237015.db2.gz KRBQYQLGWZUIHT-GHMZBOCLSA-N 0 1 235.331 2.162 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635066572 345238871 /nfs/dbraw/zinc/23/88/71/345238871.db2.gz ZQOZRMFFNAZIEL-WRWGMCAJSA-N 0 1 247.342 2.018 20 0 BEADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)C ZINC000635072099 345240258 /nfs/dbraw/zinc/24/02/58/345240258.db2.gz HDBZPKNDQOZVJT-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C ZINC000635096233 345245648 /nfs/dbraw/zinc/24/56/48/345245648.db2.gz PLXLRXXOCZVQGW-SNVBAGLBSA-N 0 1 232.327 2.064 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C2CCC2)[nH]1 ZINC000158259971 345314019 /nfs/dbraw/zinc/31/40/19/345314019.db2.gz QGIAPNZNBDSPLM-NSHDSACASA-N 0 1 234.347 2.132 20 0 BEADMN C[C@H](C(=O)N1CC[C@@H](C)c2ccccc21)N(C)C ZINC000635355706 345320566 /nfs/dbraw/zinc/32/05/66/345320566.db2.gz AZYJZSKMRBBTFA-VXGBXAGGSA-N 0 1 246.354 2.477 20 0 BEADMN C[C@H](C(=O)N(C)[C@H](C)c1ccccc1)N(C)C ZINC000635149063 345259806 /nfs/dbraw/zinc/25/98/06/345259806.db2.gz GYJDDVTYTSDZIM-VXGBXAGGSA-N 0 1 234.343 2.156 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)C2CCCCC2)CCO1 ZINC000158335550 345321935 /nfs/dbraw/zinc/32/19/35/345321935.db2.gz WTNBNYVLIWRJNN-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H](N(C)C(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC000635224578 345277934 /nfs/dbraw/zinc/27/79/34/345277934.db2.gz LHDUHIBJGOGGKK-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000635224636 345278102 /nfs/dbraw/zinc/27/81/02/345278102.db2.gz RCWBSGIUHWTCLS-GMTAPVOTSA-N 0 1 249.358 2.406 20 0 BEADMN Cc1ccc([C@H](C)N(C)C(=O)[C@@H](C)N(C)C)cc1 ZINC000635230160 345279815 /nfs/dbraw/zinc/27/98/15/345279815.db2.gz BVGABNIRJILUEJ-QWHCGFSZSA-N 0 1 248.370 2.465 20 0 BEADMN COCC1(NCc2cc(C)ccc2F)CC1 ZINC000381306840 345281525 /nfs/dbraw/zinc/28/15/25/345281525.db2.gz KAUGDFYJZMJCSO-UHFFFAOYSA-N 0 1 223.291 2.403 20 0 BEADMN CCCCN(CCCC)C(=O)[C@@H](C)N(C)C ZINC000635282744 345294391 /nfs/dbraw/zinc/29/43/91/345294391.db2.gz ZTVCMNNMZPFSBS-GFCCVEGCSA-N 0 1 228.380 2.365 20 0 BEADMN CO[C@@H]1CC[C@@H]2OCCN(CC=C(C)C)[C@H]2C1 ZINC000158350277 345323341 /nfs/dbraw/zinc/32/33/41/345323341.db2.gz RVSXOOBHTPBZBR-RDBSUJKOSA-N 0 1 239.359 2.221 20 0 BEADMN CC[C@@H](O)CCNCc1c(F)cccc1F ZINC000131689043 345305514 /nfs/dbraw/zinc/30/55/14/345305514.db2.gz BZEFSEFSVXGFPG-SECBINFHSA-N 0 1 229.270 2.215 20 0 BEADMN O=C([O-])CCC[N@H+]1CCCC2(CC2)CC1 ZINC000626114170 345309212 /nfs/dbraw/zinc/30/92/12/345309212.db2.gz VXDKKVAAPMMNTG-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN CCc1nnc(C[N@H+]2[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000158485575 345338281 /nfs/dbraw/zinc/33/82/81/345338281.db2.gz ARPWLAYLVLPWLV-AOOOYVTPSA-N 0 1 222.336 2.130 20 0 BEADMN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](C)N(C)C ZINC000635414530 345353841 /nfs/dbraw/zinc/35/38/41/345353841.db2.gz LDGBMGBCPXUKIL-BXUZGUMPSA-N 0 1 246.354 2.049 20 0 BEADMN CCc1nnc(CN2CCCC[C@H]2C(C)C)[nH]1 ZINC000158600655 345356528 /nfs/dbraw/zinc/35/65/28/345356528.db2.gz WCRNFTJOZBFVPB-NSHDSACASA-N 0 1 236.363 2.378 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000575316662 345356851 /nfs/dbraw/zinc/35/68/51/345356851.db2.gz OVPHVEFCHRAXHL-XQQFMLRXSA-N 0 1 234.343 2.388 20 0 BEADMN Cc1cnccc1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000575316662 345356858 /nfs/dbraw/zinc/35/68/58/345356858.db2.gz OVPHVEFCHRAXHL-XQQFMLRXSA-N 0 1 234.343 2.388 20 0 BEADMN CC(C)CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)C ZINC000635461807 345382069 /nfs/dbraw/zinc/38/20/69/345382069.db2.gz KHABWHZUACLWHH-VXGBXAGGSA-N 0 1 249.358 2.406 20 0 BEADMN CC[C@H](NC(=O)[C@@H](C)N(C)C)C1CCCCC1 ZINC000635469901 345386203 /nfs/dbraw/zinc/38/62/03/345386203.db2.gz XQXSLTWGAYQHDL-YPMHNXCESA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)Cc2ccccc21)N(C)C ZINC000635504513 345404351 /nfs/dbraw/zinc/40/43/51/345404351.db2.gz XBYFYOIYRUZWMM-NWDGAFQWSA-N 0 1 246.354 2.162 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635512416 345409267 /nfs/dbraw/zinc/40/92/67/345409267.db2.gz RIORMTVGAUMNGP-NNYUYHANSA-N 0 1 247.342 2.303 20 0 BEADMN Cc1cc(CCN[C@@H](C)c2nccs2)on1 ZINC000381342503 345411904 /nfs/dbraw/zinc/41/19/04/345411904.db2.gz XZNJJXUCMYCAIX-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccn[nH]2)C1 ZINC000134133990 345400554 /nfs/dbraw/zinc/40/05/54/345400554.db2.gz WFDVGHJJBKBRNE-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)[C@@H](C)N(C)C)C1CC1 ZINC000635505047 345402306 /nfs/dbraw/zinc/40/23/06/345402306.db2.gz HDFOWUZRXZPFOX-IJLUTSLNSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)C[C@@H](NC(=O)CN(C)C)c1ccccc1 ZINC000170710672 187304877 /nfs/dbraw/zinc/30/48/77/187304877.db2.gz MAHKODDCYULQAV-CQSZACIVSA-N 0 1 248.370 2.452 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1CCC(C)(C)O ZINC000081646258 345483074 /nfs/dbraw/zinc/48/30/74/345483074.db2.gz ATXAUNUUYFSNHE-LLVKDONJSA-N 0 1 222.332 2.026 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCC(C)(C)O ZINC000081646258 345483076 /nfs/dbraw/zinc/48/30/76/345483076.db2.gz ATXAUNUUYFSNHE-LLVKDONJSA-N 0 1 222.332 2.026 20 0 BEADMN CSc1ccc(CN(C)Cc2nnc[nH]2)cc1 ZINC000174816126 187306498 /nfs/dbraw/zinc/30/64/98/187306498.db2.gz YWLBUJLQMAYHIO-UHFFFAOYSA-N 0 1 248.355 2.159 20 0 BEADMN C[C@H](Cc1ccoc1)NCc1cscn1 ZINC000084961326 345530573 /nfs/dbraw/zinc/53/05/73/345530573.db2.gz PIFWMRNPMGQHTC-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN CC(C)(O)CN1CCc2ccc(Cl)cc2C1 ZINC000090614834 345573574 /nfs/dbraw/zinc/57/35/74/345573574.db2.gz NVBNRSKBKZHUOW-UHFFFAOYSA-N 0 1 239.746 2.469 20 0 BEADMN C[S@@](=O)c1ccc(CN2CCCCC2)cc1 ZINC000092107404 345616296 /nfs/dbraw/zinc/61/62/96/345616296.db2.gz XVCHZFUQGMCOOQ-INIZCTEOSA-N 0 1 237.368 2.410 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nnc[nH]2)o1 ZINC000179794952 187308387 /nfs/dbraw/zinc/30/83/87/187308387.db2.gz MBWMJMIMNXZAQO-GXSJLCMTSA-N 0 1 246.314 2.153 20 0 BEADMN COC[C@@H](C)NCc1ccc(SC)o1 ZINC000641701516 362613936 /nfs/dbraw/zinc/61/39/36/362613936.db2.gz SSBYZRNTNAADKU-MRVPVSSYSA-N 0 1 215.318 2.126 20 0 BEADMN COc1ccc(CN2CCC2(C)C)cc1O ZINC000093460305 345672046 /nfs/dbraw/zinc/67/20/46/345672046.db2.gz JKCICIUTPPXGGD-UHFFFAOYSA-N 0 1 221.300 2.385 20 0 BEADMN CCc1cccc(C[N@@H+](C)CCN(C)C)c1 ZINC000205453359 345732691 /nfs/dbraw/zinc/73/26/91/345732691.db2.gz VMMZNJFSDFZVOJ-UHFFFAOYSA-N 0 1 220.360 2.242 20 0 BEADMN CC1(C)C[C@@H]1NCc1cnc(C2CC2)o1 ZINC000628208685 345786661 /nfs/dbraw/zinc/78/66/61/345786661.db2.gz YDTHWPVSRRWFHV-JTQLQIEISA-N 0 1 206.289 2.440 20 0 BEADMN Cc1ncc(CNCCc2ccccc2O)o1 ZINC000628211080 345822381 /nfs/dbraw/zinc/82/23/81/345822381.db2.gz VYYAKPJOQQVJBV-UHFFFAOYSA-N 0 1 232.283 2.021 20 0 BEADMN CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000137478289 345846476 /nfs/dbraw/zinc/84/64/76/345846476.db2.gz UAYJFPLPPSUPMF-NSHDSACASA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccncc1 ZINC000141117756 345859232 /nfs/dbraw/zinc/85/92/32/345859232.db2.gz VJEUDLGZVKDRFO-LBPRGKRZSA-N 0 1 236.315 2.013 20 0 BEADMN Cc1cccc(CCC[N@H+](C)CCC(=O)[O-])c1 ZINC000141792635 345861306 /nfs/dbraw/zinc/86/13/06/345861306.db2.gz LJSLUBHTVQVFSG-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN C[C@H](C(=O)NCC[C@H]1CCC[C@H](C)C1)N(C)C ZINC000635572318 345829631 /nfs/dbraw/zinc/82/96/31/345829631.db2.gz IYDDSFQZIFHSOK-YNEHKIRRSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)Cc1ccn[nH]1 ZINC000173256016 345888082 /nfs/dbraw/zinc/88/80/82/345888082.db2.gz BMMCEPOTGKTVID-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1cnc(C2CC2)o1 ZINC000628214321 345892787 /nfs/dbraw/zinc/89/27/87/345892787.db2.gz SOBLLDHVSKNUOH-JOYOIKCWSA-N 0 1 238.331 2.049 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)N(C)C ZINC000635594322 345881297 /nfs/dbraw/zinc/88/12/97/345881297.db2.gz KOBOTRFCHXAGEN-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)N(C)C)cc1 ZINC000635587798 345882469 /nfs/dbraw/zinc/88/24/69/345882469.db2.gz FLGNFUVZTLCZRK-QWHCGFSZSA-N 0 1 248.370 2.165 20 0 BEADMN C[C@H](C(=O)N1C[C@H](C)[C@@H]1c1ccccc1)N(C)C ZINC000635625678 345899283 /nfs/dbraw/zinc/89/92/83/345899283.db2.gz VXECUHNNQDMIGJ-OUCADQQQSA-N 0 1 246.354 2.156 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635634323 345908493 /nfs/dbraw/zinc/90/84/93/345908493.db2.gz DGZFBVAFPGPYJJ-WRWGMCAJSA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635647844 345923885 /nfs/dbraw/zinc/92/38/85/345923885.db2.gz KJWGGBFAUTVOTD-QJPTWQEYSA-N 0 1 249.358 2.408 20 0 BEADMN Cc1nc(C)c(NC(=O)c2[nH]cnc2C)s1 ZINC000635657859 345936580 /nfs/dbraw/zinc/93/65/80/345936580.db2.gz AJRUPHPDWMARRY-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CN(CC(=O)OC(C)(C)C)CC1CCCC1 ZINC000064020981 323100579 /nfs/dbraw/zinc/10/05/79/323100579.db2.gz MMNFZFKBCSNBFM-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H](C(=O)NCC1(C)CCCCC1)N(C)C ZINC000635676635 345973115 /nfs/dbraw/zinc/97/31/15/345973115.db2.gz ZLVQQYAPYYEQCV-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635705447 345991626 /nfs/dbraw/zinc/99/16/26/345991626.db2.gz WXZYIYNCMXONCG-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)n[nH]1 ZINC000154277522 537932667 /nfs/dbraw/zinc/93/26/67/537932667.db2.gz FBVAZSUHMRCJOY-PHIMTYICSA-N 0 1 247.342 2.234 20 0 BEADMN C/C=C/C[C@H](CO)N[C@@H](C)c1nccs1 ZINC000186522266 187363020 /nfs/dbraw/zinc/36/30/20/187363020.db2.gz LOSCMDRKHIXFSP-FCVPOFOPSA-N 0 1 226.345 2.121 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2C=CCCC2)[nH]1 ZINC001639094214 1172071249 /nfs/dbraw/zinc/07/12/49/1172071249.db2.gz WXXCQPIZQKAWCW-LLVKDONJSA-N 0 1 247.342 2.335 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000635757136 346051912 /nfs/dbraw/zinc/05/19/12/346051912.db2.gz DQLIJWHIZINQTN-QWHCGFSZSA-N 0 1 238.375 2.284 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000635757135 346051943 /nfs/dbraw/zinc/05/19/43/346051943.db2.gz DQLIJWHIZINQTN-OLZOCXBDSA-N 0 1 238.375 2.284 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000635756922 346052044 /nfs/dbraw/zinc/05/20/44/346052044.db2.gz BBUSYHWHAFQLNV-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C)N(C)C)cc1C ZINC000635760330 346053373 /nfs/dbraw/zinc/05/33/73/346053373.db2.gz QHQIVLDABDKGBL-LLVKDONJSA-N 0 1 234.343 2.446 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635767140 346058247 /nfs/dbraw/zinc/05/82/47/346058247.db2.gz ZOKPHGYNZYQINY-AGIUHOORSA-N 0 1 238.375 2.260 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1scnc1C1CC1 ZINC000635747788 346047259 /nfs/dbraw/zinc/04/72/59/346047259.db2.gz WMCBMTCBVCADJZ-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CC[C@H]1[C@H](C)CCN1C(=O)[C@@H]1CCCCN1C ZINC000635815674 346071469 /nfs/dbraw/zinc/07/14/69/346071469.db2.gz FXZPKNGOTPVOQI-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)NC1(C)CCC(F)(F)CC1)N(C)C ZINC000635805082 346072180 /nfs/dbraw/zinc/07/21/80/346072180.db2.gz OBUZTOCDWRZPED-SECBINFHSA-N 0 1 248.317 2.021 20 0 BEADMN C[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635813576 346075436 /nfs/dbraw/zinc/07/54/36/346075436.db2.gz DIODPXDPYIHDRP-IJLUTSLNSA-N 0 1 247.342 2.162 20 0 BEADMN CCN(CC1CCC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635884489 346102038 /nfs/dbraw/zinc/10/20/38/346102038.db2.gz XOUKNLVRVFEJMC-VXGBXAGGSA-N 0 1 247.342 2.162 20 0 BEADMN CCN(C(=O)[C@@H]1CCCCN1C)[C@@H](C)C(C)C ZINC000635941186 346124356 /nfs/dbraw/zinc/12/43/56/346124356.db2.gz FVJHFCNSXZYMEM-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CNC(=O)[C@@H](C)N(C)C ZINC000635978935 346129403 /nfs/dbraw/zinc/12/94/03/346129403.db2.gz XMRINLKFWVPFGL-FRRDWIJNSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H](NC(=O)[C@@H](C)N(C)C)C(C)(C)C ZINC000635982444 346136402 /nfs/dbraw/zinc/13/64/02/346136402.db2.gz DJLAENNVVKUHKT-MNOVXSKESA-N 0 1 228.380 2.268 20 0 BEADMN CCn1ncnc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000193446014 346166087 /nfs/dbraw/zinc/16/60/87/346166087.db2.gz CXTYLAJKKGYHAA-NEPJUHHUSA-N 0 1 236.363 2.166 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)[C@@H](C)N(C)C)[C@@H]1C(C)C ZINC000635997414 346149309 /nfs/dbraw/zinc/14/93/09/346149309.db2.gz WBOYBKBAHQJNCJ-FRRDWIJNSA-N 0 1 240.391 2.076 20 0 BEADMN C[C@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)N(C)C ZINC000636011479 346153098 /nfs/dbraw/zinc/15/30/98/346153098.db2.gz XRYPYZUOTBTOQS-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)N(C)C)C1CC(C)(C)C1 ZINC000636011511 346153423 /nfs/dbraw/zinc/15/34/23/346153423.db2.gz YCBFMZDLMDFDQD-LLVKDONJSA-N 0 1 240.391 2.362 20 0 BEADMN CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCC1 ZINC000636022127 346159832 /nfs/dbraw/zinc/15/98/32/346159832.db2.gz VIHYHUOUROAMTL-ZYHUDNBSSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cnc(C2CC2)o1 ZINC000628240899 346203044 /nfs/dbraw/zinc/20/30/44/346203044.db2.gz ZIBBPKJODRYVPJ-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC000054041988 1172078935 /nfs/dbraw/zinc/07/89/35/1172078935.db2.gz MQTKRKPLSHDAQH-RYUDHWBXSA-N 0 1 247.342 2.370 20 0 BEADMN c1ccc2c(c1)CN(CC1=CCCOC1)C2 ZINC000119969746 187317744 /nfs/dbraw/zinc/31/77/44/187317744.db2.gz RXGRLQRISAZWDO-UHFFFAOYSA-N 0 1 215.296 2.349 20 0 BEADMN C/C=C\C[C@H](CO)NCc1csc(CC)n1 ZINC000336780919 187317002 /nfs/dbraw/zinc/31/70/02/187317002.db2.gz SODCBNSNHWDQQM-TZGMSPROSA-N 0 1 240.372 2.122 20 0 BEADMN CC[C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000167415235 346246188 /nfs/dbraw/zinc/24/61/88/346246188.db2.gz HVYLAFKIVSQFFS-SECBINFHSA-N 0 1 225.723 2.362 20 0 BEADMN OC[C@]1(F)CCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628264835 346266326 /nfs/dbraw/zinc/26/63/26/346266326.db2.gz DPMFOYOMXPBKGR-AWEZNQCLSA-N 0 1 248.301 2.074 20 0 BEADMN CCC[C@@]1(NCc2cnc(C)o2)CCOC1 ZINC000628273102 346283561 /nfs/dbraw/zinc/28/35/61/346283561.db2.gz ISEVYEAKFJIDAK-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN Cc1cccc(C)c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000235638382 179030527 /nfs/dbraw/zinc/03/05/27/179030527.db2.gz KOSAMWQIYZXKIW-BETUJISGSA-N 0 1 246.354 2.126 20 0 BEADMN Cc1cccc(C)c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000122155777 179032849 /nfs/dbraw/zinc/03/28/49/179032849.db2.gz VZSUUUGOCKWZOO-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CO)CCC(C)C)no1 ZINC000624110901 346298635 /nfs/dbraw/zinc/29/86/35/346298635.db2.gz IRTXNUVNBZIKCG-RYUDHWBXSA-N 0 1 240.347 2.431 20 0 BEADMN CCC(CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000636066190 346306265 /nfs/dbraw/zinc/30/62/65/346306265.db2.gz DPRFGLWTLPNBQG-UHFFFAOYSA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)CC(C)C ZINC000636069018 346309825 /nfs/dbraw/zinc/30/98/25/346309825.db2.gz XXHDNDUJNDVRIQ-SNVBAGLBSA-N 0 1 237.347 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000636068911 346309914 /nfs/dbraw/zinc/30/99/14/346309914.db2.gz TVPGOZSNPHEOIW-KOLCDFICSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000636070669 346311616 /nfs/dbraw/zinc/31/16/16/346311616.db2.gz RZQCOJXNGLTRDC-MDZLAQPJSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C)cc1 ZINC000636077250 346312883 /nfs/dbraw/zinc/31/28/83/346312883.db2.gz XSVIQVSAGGRGFJ-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1cccc(C)c1[C@H](C)NC(=O)CN(C)C ZINC000355351347 179049193 /nfs/dbraw/zinc/04/91/93/179049193.db2.gz UIRGFPNPCDHNKI-LBPRGKRZSA-N 0 1 234.343 2.042 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCC12CCCC2 ZINC000636121952 346325503 /nfs/dbraw/zinc/32/55/03/346325503.db2.gz ZAJDFXIRTCRMCT-LBPRGKRZSA-N 0 1 236.359 2.016 20 0 BEADMN CC[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000636203788 346352333 /nfs/dbraw/zinc/35/23/33/346352333.db2.gz DDYUOPAYALCTQY-JTNHKYCSSA-N 0 1 247.342 2.208 20 0 BEADMN CCCN(CC(C)C)C(=O)[C@H](C)N1CC(C)C1 ZINC000563370831 323121696 /nfs/dbraw/zinc/12/16/96/323121696.db2.gz AGWCGHZGORDVGG-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)Nc1ccc2occc2c1)N(C)C ZINC000636281307 346377606 /nfs/dbraw/zinc/37/76/06/346377606.db2.gz YOXNBPPGUUPJCS-SECBINFHSA-N 0 1 232.283 2.321 20 0 BEADMN Cc1cccc(CN(C)C(=O)c2cnc[nH]2)c1C ZINC000292572293 179063289 /nfs/dbraw/zinc/06/32/89/179063289.db2.gz XYZFDVJFMVEQGJ-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636328488 346397527 /nfs/dbraw/zinc/39/75/27/346397527.db2.gz FEWYWTYSHDMJFW-MVWJERBFSA-N 0 1 247.342 2.208 20 0 BEADMN Cc1cccc(CN(C)Cc2cnn(C)c2)c1 ZINC000014191597 179069060 /nfs/dbraw/zinc/06/90/60/179069060.db2.gz NGQGHFGICBHVDB-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1cccc(CN(CCO)C2CC2)c1F ZINC000294527609 179072601 /nfs/dbraw/zinc/07/26/01/179072601.db2.gz GSZKZQBLKFNXFF-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN CCc1nc(CN(C)c2ccccc2F)n[nH]1 ZINC000159077756 346406914 /nfs/dbraw/zinc/40/69/14/346406914.db2.gz KXLZZWQALCFRFD-UHFFFAOYSA-N 0 1 234.278 2.143 20 0 BEADMN Cc1cccc(CN2CCCC3(C2)OCCO3)c1 ZINC000134038045 179073124 /nfs/dbraw/zinc/07/31/24/179073124.db2.gz OWUMASCRKGJBKR-UHFFFAOYSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1cccc(CN(C)C[C@@H]2CC[C@H](C)O2)n1 ZINC000336698321 179067820 /nfs/dbraw/zinc/06/78/20/179067820.db2.gz VXLKWXOUTXEVGP-JSGCOSHPSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cccc(CN(C)C[C@H]2CC[C@@H](C)O2)n1 ZINC000336698324 179067862 /nfs/dbraw/zinc/06/78/62/179067862.db2.gz VXLKWXOUTXEVGP-TZMCWYRMSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000042163621 179076979 /nfs/dbraw/zinc/07/69/79/179076979.db2.gz LERQHNFDLZCWKP-ZDUSSCGKSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1ncncc1[C@H](C)NC1CC(F)(F)C1 ZINC000574927187 346415784 /nfs/dbraw/zinc/41/57/84/346415784.db2.gz ZNBHIFRTYWMBBX-QMMMGPOBSA-N 0 1 227.258 2.233 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000641794813 362738256 /nfs/dbraw/zinc/73/82/56/362738256.db2.gz QJDFLBRPVPUDPH-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000641794813 362738259 /nfs/dbraw/zinc/73/82/59/362738259.db2.gz QJDFLBRPVPUDPH-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN CC[C@H](N[C@H](C)C(F)F)C1CCOCC1 ZINC000641791832 362732761 /nfs/dbraw/zinc/73/27/61/362732761.db2.gz NVYZALQOCKBSQI-SCZZXKLOSA-N 0 1 221.291 2.435 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000641794043 362734113 /nfs/dbraw/zinc/73/41/13/362734113.db2.gz JQJSETHVKOZSGJ-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000641794043 362734116 /nfs/dbraw/zinc/73/41/16/362734116.db2.gz JQJSETHVKOZSGJ-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN Cc1cccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)n1 ZINC000033359174 179083568 /nfs/dbraw/zinc/08/35/68/179083568.db2.gz RLLJBPOYVUHOKU-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN Cc1ccncc1CNC1(CF)CCC1 ZINC000580073472 346509576 /nfs/dbraw/zinc/50/95/76/346509576.db2.gz KIQZBGUDJHOFGL-UHFFFAOYSA-N 0 1 208.280 2.372 20 0 BEADMN CC[C@@H](O)CN[C@H](C)c1c(F)cccc1F ZINC000162192979 346514551 /nfs/dbraw/zinc/51/45/51/346514551.db2.gz WNWAHKCJUPRCME-RKDXNWHRSA-N 0 1 229.270 2.386 20 0 BEADMN CSc1cc(CNCC2(F)CC2)ccn1 ZINC000380222337 346515099 /nfs/dbraw/zinc/51/50/99/346515099.db2.gz JOHZPIJEINMFEC-UHFFFAOYSA-N 0 1 226.320 2.395 20 0 BEADMN CC[C@@H](c1ccncc1)[N@@H+](C)CCn1ccnc1 ZINC000162534934 346525995 /nfs/dbraw/zinc/52/59/95/346525995.db2.gz RLMVARGHCRPOIS-AWEZNQCLSA-N 0 1 244.342 2.361 20 0 BEADMN C[C@@H](CN(C)C(=O)[C@H](C)N(C)C)C(C)(C)C ZINC000636428788 346526147 /nfs/dbraw/zinc/52/61/47/346526147.db2.gz QBSDHMZOVTYXHS-QWRGUYRKSA-N 0 1 228.380 2.077 20 0 BEADMN O=C1CCN1c1cccc(CNCC2(F)CC2)c1 ZINC000580151668 346564168 /nfs/dbraw/zinc/56/41/68/346564168.db2.gz AMPCPLHOZSRTRP-UHFFFAOYSA-N 0 1 248.301 2.015 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000580127649 346546501 /nfs/dbraw/zinc/54/65/01/346546501.db2.gz VVFSFSPULRQEAJ-VHSXEESVSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000580127649 346546503 /nfs/dbraw/zinc/54/65/03/346546503.db2.gz VVFSFSPULRQEAJ-VHSXEESVSA-N 0 1 206.289 2.018 20 0 BEADMN Cc1cc(C)n(CCN2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679227878 488322332 /nfs/dbraw/zinc/32/23/32/488322332.db2.gz UCVPVZIXNZWPNZ-MFKMUULPSA-N 0 1 239.338 2.180 20 0 BEADMN Cc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)n1 ZINC000336351634 179128130 /nfs/dbraw/zinc/12/81/30/179128130.db2.gz VDLVADCMFQLJEN-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CCN(CC1CCC1)C(=O)[C@H]1CCCCN1C ZINC000684516652 488324962 /nfs/dbraw/zinc/32/49/62/488324962.db2.gz ZKHWUURFCZOVAD-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CNCc2cc3ccccc3[nH]2)[nH]n1 ZINC000589647321 346723110 /nfs/dbraw/zinc/72/31/10/346723110.db2.gz SZKCPJFTXXSZEY-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN Cc1cc(CNCc2cc(C)c(O)c(C)c2)[nH]n1 ZINC000589649916 346723893 /nfs/dbraw/zinc/72/38/93/346723893.db2.gz YJBPDFJNTFEPBI-UHFFFAOYSA-N 0 1 245.326 2.330 20 0 BEADMN CCN(C(=O)CCC(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000617933198 346723931 /nfs/dbraw/zinc/72/39/31/346723931.db2.gz JMEILEBIMNBPSA-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@](O)(CN1CC(CC2CC2)C1)C(F)(F)F ZINC000621991813 370648153 /nfs/dbraw/zinc/64/81/53/370648153.db2.gz DHFJMJZSCUIIKI-SNVBAGLBSA-N 0 1 237.265 2.032 20 0 BEADMN CN(C)CC(=O)NCCC(C)(C)c1ccccc1 ZINC000589326197 346689110 /nfs/dbraw/zinc/68/91/10/346689110.db2.gz FRXWNWXNISDPEB-UHFFFAOYSA-N 0 1 248.370 2.032 20 0 BEADMN CC1(CNc2ccc3nn[nH]c3c2)CC1 ZINC000380069289 365847856 /nfs/dbraw/zinc/84/78/56/365847856.db2.gz CUGANBBMKHIARK-UHFFFAOYSA-N 0 1 202.261 2.170 20 0 BEADMN CC1(CNc2ccc3n[nH]nc3c2)CC1 ZINC000380069289 365847860 /nfs/dbraw/zinc/84/78/60/365847860.db2.gz CUGANBBMKHIARK-UHFFFAOYSA-N 0 1 202.261 2.170 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCC(C2CC2)CC1 ZINC000590008665 346762747 /nfs/dbraw/zinc/76/27/47/346762747.db2.gz PLZMWFWWGKMFIG-CYBMUJFWSA-N 0 1 237.343 2.060 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000580657366 365852635 /nfs/dbraw/zinc/85/26/35/365852635.db2.gz YVECZTLJYIUPAY-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000580657362 365853060 /nfs/dbraw/zinc/85/30/60/365853060.db2.gz YVECZTLJYIUPAY-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN c1ccc(CNCc2[nH]nc3ccccc32)nc1 ZINC000589843709 346743865 /nfs/dbraw/zinc/74/38/65/346743865.db2.gz ZEMFMPOTKIJZSK-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN Cc1nocc1CNCCOc1cccc(C)c1 ZINC000339170609 179168745 /nfs/dbraw/zinc/16/87/45/179168745.db2.gz IDYMLLWMJAUMTH-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(F)ccc1OC ZINC000580676500 365872700 /nfs/dbraw/zinc/87/27/00/365872700.db2.gz KSXNFFBHGSSBIH-YPMHNXCESA-N 0 1 239.290 2.101 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167791823 347167835 /nfs/dbraw/zinc/16/78/35/347167835.db2.gz FLCKSTOLCAHSEV-WDEREUQCSA-N 0 1 209.289 2.034 20 0 BEADMN CCc1cnc(CNC[C@]2(C)CCCO2)s1 ZINC000309641817 347128179 /nfs/dbraw/zinc/12/81/79/347128179.db2.gz KYKOQLUKZWMDAX-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000387928636 347129111 /nfs/dbraw/zinc/12/91/11/347129111.db2.gz VMDGZULPVZBCCJ-ZYHUDNBSSA-N 0 1 235.331 2.017 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1ccc(F)cc1O ZINC000380666095 347206514 /nfs/dbraw/zinc/20/65/14/347206514.db2.gz YXKBTGGMSUTYEX-GMSGAONNSA-N 0 1 223.247 2.060 20 0 BEADMN Cc1cccc(CCN2C[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000563052108 347215297 /nfs/dbraw/zinc/21/52/97/347215297.db2.gz GASHLWWBZSCVEO-MJBXVCDLSA-N 0 1 248.370 2.430 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000382204076 347230779 /nfs/dbraw/zinc/23/07/79/347230779.db2.gz ZTUDZJBSQNFOAT-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)CN(C)C)c1C ZINC000115726209 179195470 /nfs/dbraw/zinc/19/54/70/179195470.db2.gz YPUFMSLYRYXQQF-LBPRGKRZSA-N 0 1 234.343 2.042 20 0 BEADMN CO[C@H]([C@H](C)NCc1csc(C)n1)C1CC1 ZINC000388278574 347286496 /nfs/dbraw/zinc/28/64/96/347286496.db2.gz KDLCOUWBJTZOSQ-QPUJVOFHSA-N 0 1 240.372 2.355 20 0 BEADMN CCN(Cc1cc(O)cc(F)c1)[C@H]1CCOC1 ZINC000310489672 347288437 /nfs/dbraw/zinc/28/84/37/347288437.db2.gz FQNHTCQRPIXRIE-LBPRGKRZSA-N 0 1 239.290 2.142 20 0 BEADMN CCN(Cc1cc(O)cc(F)c1)[C@@H]1CCOC1 ZINC000310489670 347288857 /nfs/dbraw/zinc/28/88/57/347288857.db2.gz FQNHTCQRPIXRIE-GFCCVEGCSA-N 0 1 239.290 2.142 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627372831 347256508 /nfs/dbraw/zinc/25/65/08/347256508.db2.gz XWRYOGNQTCSCMA-QWRGUYRKSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1nc(C)c(C[N@H+]2CC[C@@H]2C2CC2)o1 ZINC000628297874 347262681 /nfs/dbraw/zinc/26/26/81/347262681.db2.gz ONUAZCVWVJHTPH-LLVKDONJSA-N 0 1 206.289 2.276 20 0 BEADMN CO[C@@H]([C@H](C)N[C@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000388297500 347300142 /nfs/dbraw/zinc/30/01/42/347300142.db2.gz LVECLZSEIBLOLK-UKJIMTQDSA-N 0 1 249.358 2.292 20 0 BEADMN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cnn(C)c1 ZINC000382379323 347300153 /nfs/dbraw/zinc/30/01/53/347300153.db2.gz ITTLFSKEVVRSTL-QJPTWQEYSA-N 0 1 225.311 2.351 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000300846259 347269650 /nfs/dbraw/zinc/26/96/50/347269650.db2.gz AMVRCDCBWJXFEQ-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN CCC(F)(F)CN[C@H]1CCOC[C@H]1C ZINC000624148845 347280530 /nfs/dbraw/zinc/28/05/30/347280530.db2.gz PDCJPJVGPZCBMS-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN O=C(c1cnc[nH]1)N(C1CC1)C1CCCCC1 ZINC000605658962 347412675 /nfs/dbraw/zinc/41/26/75/347412675.db2.gz OSRROKMOENLLPC-UHFFFAOYSA-N 0 1 233.315 2.347 20 0 BEADMN CCCCOC[C@H](O)CN1Cc2ccccc2C1 ZINC000193249811 347393616 /nfs/dbraw/zinc/39/36/16/347393616.db2.gz KYEHAEBCERHOQB-OAHLLOKOSA-N 0 1 249.354 2.180 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616921608 347450837 /nfs/dbraw/zinc/45/08/37/347450837.db2.gz XGMBTBSSKKSOTQ-PWSUYJOCSA-N 0 1 235.331 2.194 20 0 BEADMN C[C@H]1CC(C(=O)N(C)Cc2cnc[nH]2)C[C@H](C)C1 ZINC000616927522 347454586 /nfs/dbraw/zinc/45/45/86/347454586.db2.gz KNIFCWFZKJPJRA-GHMZBOCLSA-N 0 1 249.358 2.440 20 0 BEADMN Cn1ncc(Cl)c1CNCCC(C)(F)F ZINC000394620159 347438979 /nfs/dbraw/zinc/43/89/79/347438979.db2.gz SXVDOCFDPRGOIH-UHFFFAOYSA-N 0 1 237.681 2.208 20 0 BEADMN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)c1cccs1 ZINC000616925755 347457382 /nfs/dbraw/zinc/45/73/82/347457382.db2.gz PGCCPXBTWGPGIK-SECBINFHSA-N 0 1 249.339 2.233 20 0 BEADMN CC(C)c1ccoc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616928487 347494695 /nfs/dbraw/zinc/49/46/95/347494695.db2.gz BHMDLOIDNSSJTQ-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN CC(C)n1cccc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616926423 347458191 /nfs/dbraw/zinc/45/81/91/347458191.db2.gz BMYRIGAOHUQHLN-UHFFFAOYSA-N 0 1 246.314 2.064 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616926744 347459596 /nfs/dbraw/zinc/45/95/96/347459596.db2.gz OCTMTYYPZCTAHS-MNOVXSKESA-N 0 1 235.331 2.194 20 0 BEADMN CCN(Cc1nnc2n1CCCC2)CC(C)C ZINC000364558265 347461964 /nfs/dbraw/zinc/46/19/64/347461964.db2.gz NLGHUXIJNGEMJY-UHFFFAOYSA-N 0 1 236.363 2.092 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000380113166 365889449 /nfs/dbraw/zinc/88/94/49/365889449.db2.gz JBQMFVMOYTVBOB-SMGNDMQFSA-N 0 1 245.322 2.496 20 0 BEADMN CC[C@@]1(C)COCCN1CCOCC1CCC1 ZINC000419228847 192107284 /nfs/dbraw/zinc/10/72/84/192107284.db2.gz NGSLGXDXNSJKON-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000197044123 347540215 /nfs/dbraw/zinc/54/02/15/347540215.db2.gz XLEFENMJUFKJSW-LLVKDONJSA-N 0 1 229.327 2.415 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000042163629 179273596 /nfs/dbraw/zinc/27/35/96/179273596.db2.gz QULISQYDYYCCLX-ZDUSSCGKSA-N 0 1 233.311 2.434 20 0 BEADMN CC/C=C\CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419230247 192108887 /nfs/dbraw/zinc/10/88/87/192108887.db2.gz YKJCPONVZOUYEF-VYLZPFMQSA-N 0 1 246.354 2.372 20 0 BEADMN CSC1(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000592356898 347772451 /nfs/dbraw/zinc/77/24/51/347772451.db2.gz LTDRWPHMWOQAHR-QMMMGPOBSA-N 0 1 239.344 2.236 20 0 BEADMN Cc1cnn(CCN(C)Cc2ccsc2)c1 ZINC000592418892 347777832 /nfs/dbraw/zinc/77/78/32/347777832.db2.gz DWKZCHQVIJRUJP-UHFFFAOYSA-N 0 1 235.356 2.385 20 0 BEADMN CCCC[C@H](C(=O)OC)N(CC)CCSC ZINC000592204899 347756824 /nfs/dbraw/zinc/75/68/24/347756824.db2.gz WPCTULKKDDAVDP-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CCC(C)(F)F)C1 ZINC000577286460 365917389 /nfs/dbraw/zinc/91/73/89/365917389.db2.gz RTHFNQASZROUTL-LBPRGKRZSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1ccccc1NS(=O)(=O)c1cccnc1 ZINC000000428261 179305560 /nfs/dbraw/zinc/30/55/60/179305560.db2.gz ZYKJFJLJASKNCI-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN Cc1ccccc1NC(=O)CN1CC[C@H](C)C1 ZINC000263669627 179299156 /nfs/dbraw/zinc/29/91/56/179299156.db2.gz GAILXVNYSQPAIH-NSHDSACASA-N 0 1 232.327 2.275 20 0 BEADMN Cc1ccccc1NC(=O)CN1CCC[C@@H]1C ZINC000154445695 179299555 /nfs/dbraw/zinc/29/95/55/179299555.db2.gz DPOPTVWUKGYXLK-LBPRGKRZSA-N 0 1 232.327 2.418 20 0 BEADMN Cc1ccc(CN(C)CCC(=O)OC(C)C)o1 ZINC000075615904 323169715 /nfs/dbraw/zinc/16/97/15/323169715.db2.gz OCJMUBPOFRGOAX-UHFFFAOYSA-N 0 1 239.315 2.362 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCC(C)(C)C1CC1 ZINC000593981995 347986814 /nfs/dbraw/zinc/98/68/14/347986814.db2.gz ATLAQZBONPQSOW-SNVBAGLBSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)c(C)s2)n[nH]1 ZINC000603485907 349979240 /nfs/dbraw/zinc/97/92/40/349979240.db2.gz XXPZNUFTZNHJND-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)ccc2F)n[nH]1 ZINC000603488429 349980017 /nfs/dbraw/zinc/98/00/17/349980017.db2.gz VVVAXJHHZVYOQZ-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CCc1cnc(CN2CCC[C@@H](C)C2)o1 ZINC000075616498 348019600 /nfs/dbraw/zinc/01/96/00/348019600.db2.gz ZHITVGWTIOFGFN-SNVBAGLBSA-N 0 1 208.305 2.469 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)CCC1CC1 ZINC000294952629 179341906 /nfs/dbraw/zinc/34/19/06/179341906.db2.gz CEVZIFAGLCBQMM-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)CC(C)(C)C ZINC000295191601 179342410 /nfs/dbraw/zinc/34/24/10/179342410.db2.gz OCOGRBQREZJOQK-ZDUSSCGKSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H](C)C(C)C ZINC000294787261 179344082 /nfs/dbraw/zinc/34/40/82/179344082.db2.gz OEGUQEKXXZXFMI-AAEUAGOBSA-N 0 1 234.343 2.156 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]2C2CC2)c(C)o1 ZINC000594609207 348081041 /nfs/dbraw/zinc/08/10/41/348081041.db2.gz HGEHVHFAZVPUNN-GFCCVEGCSA-N 0 1 249.310 2.359 20 0 BEADMN CCc1nc([C@@H](C)[S@](=O)C2CCCC2)n[nH]1 ZINC000594663327 348093815 /nfs/dbraw/zinc/09/38/15/348093815.db2.gz CCSMYCPAQBWCBP-BCTVWOGZSA-N 0 1 241.360 2.119 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)c2ccccc2)n[nH]1 ZINC000594660365 348093928 /nfs/dbraw/zinc/09/39/28/348093928.db2.gz LJZNXDKRLWAVHM-XYZCENFISA-N 0 1 249.339 2.236 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)C2CCCC2)n[nH]1 ZINC000594663328 348094034 /nfs/dbraw/zinc/09/40/34/348094034.db2.gz CCSMYCPAQBWCBP-PWJLMRLQSA-N 0 1 241.360 2.119 20 0 BEADMN CSC1(CNCc2nccn2C(C)C)CC1 ZINC000594940209 348143051 /nfs/dbraw/zinc/14/30/51/348143051.db2.gz XCNVKQPTVZXCJM-UHFFFAOYSA-N 0 1 239.388 2.449 20 0 BEADMN CCn1ccnc1CN[C@@H](C)CSCCF ZINC000595041039 348177469 /nfs/dbraw/zinc/17/74/69/348177469.db2.gz JJUOPKUKAZPXKE-JTQLQIEISA-N 0 1 245.367 2.084 20 0 BEADMN CC(C)SCCNCc1cc2n(n1)CCC2 ZINC000594954756 348148655 /nfs/dbraw/zinc/14/86/55/348148655.db2.gz NMMNHHOITLOKDM-UHFFFAOYSA-N 0 1 239.388 2.061 20 0 BEADMN Cc1nnc(CN[C@@H](C)CSCCF)s1 ZINC000595033547 348175102 /nfs/dbraw/zinc/17/51/02/348175102.db2.gz NEDWVXNKBNUKGK-ZETCQYMHSA-N 0 1 249.380 2.027 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCC[C@H]1C(=O)OC ZINC000595303948 348221339 /nfs/dbraw/zinc/22/13/39/348221339.db2.gz ROHUTSWYQOIHAY-UWVGGRQHSA-N 0 1 249.301 2.305 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCC1CCC1 ZINC000595321878 348226493 /nfs/dbraw/zinc/22/64/93/348226493.db2.gz NXJASWXMYVCLEG-HFAKWTLXSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(CCC2CCC2)C[C@@H](C)[S@@]1=O ZINC000595493118 348262274 /nfs/dbraw/zinc/26/22/74/348262274.db2.gz PCHRRKFNPUOYKT-KFNAQCHYSA-N 0 1 243.416 2.408 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCC1CCC1 ZINC000595441621 348250476 /nfs/dbraw/zinc/25/04/76/348250476.db2.gz MSQIGAUUJSDGEV-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)=CCCN1CC[C@H](C)[S@@](=O)CC1 ZINC000595459630 348256819 /nfs/dbraw/zinc/25/68/19/348256819.db2.gz QQWHNMUNMKITLQ-WFASDCNBSA-N 0 1 229.389 2.186 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CCC1CCC1 ZINC000595346173 348235276 /nfs/dbraw/zinc/23/52/76/348235276.db2.gz GIXXXPWHVYKUIY-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](CC(F)F)CN(CC(=O)OC)C1CC1 ZINC000595347324 348236034 /nfs/dbraw/zinc/23/60/34/348236034.db2.gz SOGFRYONHANDHX-VIFPVBQESA-N 0 1 249.301 2.305 20 0 BEADMN Cc1cccnc1CNCc1ccn(C)c1 ZINC000085604317 179382621 /nfs/dbraw/zinc/38/26/21/179382621.db2.gz NTXVOHFVAZKRNC-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1ncccc1F ZINC000577486425 365956992 /nfs/dbraw/zinc/95/69/92/365956992.db2.gz YPGHRIKGTDDPPE-GXSJLCMTSA-N 0 1 226.320 2.204 20 0 BEADMN COC(=O)c1ccc(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000595564033 348281944 /nfs/dbraw/zinc/28/19/44/348281944.db2.gz YBJDXFJZZJUWDK-JQWIXIFHSA-N 0 1 249.310 2.441 20 0 BEADMN CCOC(=O)[C@@H](CC)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568927 348284023 /nfs/dbraw/zinc/28/40/23/348284023.db2.gz YLBCZSXVMQFGSR-TUAOUCFPSA-N 0 1 225.332 2.203 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@H](CCF)C1 ZINC000595754810 348328931 /nfs/dbraw/zinc/32/89/31/348328931.db2.gz CJAGNEGXVIYAAP-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@@H](CCF)C1 ZINC000595755757 348330347 /nfs/dbraw/zinc/33/03/47/348330347.db2.gz PRDPTQJZPDDABS-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN CCC1(CC)CCCN([C@H](C)C(=O)OC)C1 ZINC000595750974 348341325 /nfs/dbraw/zinc/34/13/25/348341325.db2.gz BETUPENQILLORF-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCC1(CC)CCCN(CC(=O)OC)C1 ZINC000595752396 348342275 /nfs/dbraw/zinc/34/22/75/348342275.db2.gz LAYTYYFNVAKHBH-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1N[C@@H](C(N)=O)c1ccccc1 ZINC000419329915 192123569 /nfs/dbraw/zinc/12/35/69/192123569.db2.gz PFFDXVUBADEJNP-GUTXKFCHSA-N 0 1 246.354 2.237 20 0 BEADMN CC[C@@H](CN[C@H](C)c1c(F)cncc1F)OC ZINC000419283995 192123610 /nfs/dbraw/zinc/12/36/10/192123610.db2.gz SJNPQEMSRVQMES-BDAKNGLRSA-N 0 1 244.285 2.435 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CCC(C)C ZINC000595860693 348383062 /nfs/dbraw/zinc/38/30/62/348383062.db2.gz ZPHCHDGXATVHCJ-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN CC/C=C/CCN1CC2CC1(C(=O)OCC)C2 ZINC000595872726 348386122 /nfs/dbraw/zinc/38/61/22/348386122.db2.gz XEOIVBJHXFXBQH-AATRIKPKSA-N 0 1 237.343 2.370 20 0 BEADMN CC[C@H](NCc1csnn1)[C@@H]1CC1(C)C ZINC000398398417 323185498 /nfs/dbraw/zinc/18/54/98/323185498.db2.gz VJZMEQIPAFCNTJ-UWVGGRQHSA-N 0 1 225.361 2.452 20 0 BEADMN COC(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419331689 192122961 /nfs/dbraw/zinc/12/29/61/192122961.db2.gz JOQVWKAMJZUHLL-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000595831509 348365652 /nfs/dbraw/zinc/36/56/52/348365652.db2.gz DFVPHXAWZJJPOY-ZYHUDNBSSA-N 0 1 225.332 2.060 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1ncccc1F ZINC000577486427 365957501 /nfs/dbraw/zinc/95/75/01/365957501.db2.gz YPGHRIKGTDDPPE-MWLCHTKSSA-N 0 1 226.320 2.204 20 0 BEADMN CCC(CC)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000675453764 490166204 /nfs/dbraw/zinc/16/62/04/490166204.db2.gz ADSGSTKPAUMXFV-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)c1ncc(CNC(=O)C2CC=CC2)[nH]1 ZINC001639428002 1172104312 /nfs/dbraw/zinc/10/43/12/1172104312.db2.gz SIQFTJYAJRQPFX-UHFFFAOYSA-N 0 1 233.315 2.116 20 0 BEADMN CSCCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000595885845 348389486 /nfs/dbraw/zinc/38/94/86/348389486.db2.gz KACYYQPRUJRAEN-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CC2CC1(C)C2 ZINC000595914589 348399985 /nfs/dbraw/zinc/39/99/85/348399985.db2.gz DLHHNSAUSPRFKG-AKJDGMEZSA-N 0 1 225.332 2.203 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000419391697 192130212 /nfs/dbraw/zinc/13/02/12/192130212.db2.gz KBWXHZWTGRSLHB-HBNTYKKESA-N 0 1 237.347 2.498 20 0 BEADMN CCc1nnc(CN2C[C@H](C)[C@H](C)[C@H]2C)o1 ZINC000419397080 192131484 /nfs/dbraw/zinc/13/14/84/192131484.db2.gz UELCLOQZKQFNLI-LPEHRKFASA-N 0 1 223.320 2.108 20 0 BEADMN CCN(C[C@@H]1CCCO1)[C@H](C)c1cnccn1 ZINC000274313526 538006074 /nfs/dbraw/zinc/00/60/74/538006074.db2.gz GOSJCIWZTFSMPL-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN CC1CCN(Cc2cncc(F)c2)CC1 ZINC000205534227 348543729 /nfs/dbraw/zinc/54/37/29/348543729.db2.gz CZXDJIXRKGSQKR-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1ccoc1CN[C@@H]1CCCc2nn(C)cc21 ZINC000282917035 179528205 /nfs/dbraw/zinc/52/82/05/179528205.db2.gz GYGYFSVQTDNXLS-GFCCVEGCSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1ccoc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269026850 179508256 /nfs/dbraw/zinc/50/82/56/179508256.db2.gz VXPUIYSDSSRLHL-JTQLQIEISA-N 0 1 245.282 2.119 20 0 BEADMN CCCn1nccc1CN1CC[C@@H](SC)C1 ZINC000597137441 348661130 /nfs/dbraw/zinc/66/11/30/348661130.db2.gz SAIUGOVHOKWSJS-GFCCVEGCSA-N 0 1 239.388 2.230 20 0 BEADMN CC[C@@]1(NCc2nc(C)cs2)CCOC1 ZINC000389942955 538009647 /nfs/dbraw/zinc/00/96/47/538009647.db2.gz PGAMUXPYYPQGIH-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1ncccc1F ZINC000577486426 365957903 /nfs/dbraw/zinc/95/79/03/365957903.db2.gz YPGHRIKGTDDPPE-KOLCDFICSA-N 0 1 226.320 2.204 20 0 BEADMN COC(C)(C)CNCc1nc2ccccc2o1 ZINC000638701332 352540202 /nfs/dbraw/zinc/54/02/02/352540202.db2.gz DIFVYTPVGQRZLG-UHFFFAOYSA-N 0 1 234.299 2.342 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])CC1(C)CCC1 ZINC000308893957 349054725 /nfs/dbraw/zinc/05/47/25/349054725.db2.gz IJZRMTJLCLKJON-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)[C@@H]1CCCC[C@H]1C ZINC000078710522 490220006 /nfs/dbraw/zinc/22/00/06/490220006.db2.gz JZRKZTXCYUQTAY-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN NCc1nccnc1Sc1ccc(F)cc1 ZINC000054378806 1172111964 /nfs/dbraw/zinc/11/19/64/1172111964.db2.gz QXVKUIUOIFRECV-UHFFFAOYSA-N 0 1 235.287 2.226 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)[C@H](C)N(C)C ZINC000078748173 490226317 /nfs/dbraw/zinc/22/63/17/490226317.db2.gz KOBOTRFCHXAGEN-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1ccncc1 ZINC000298283362 538026928 /nfs/dbraw/zinc/02/69/28/538026928.db2.gz OFQIVBMFALTBGN-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](C)N(C)C ZINC000078753796 490228544 /nfs/dbraw/zinc/22/85/44/490228544.db2.gz KZNUHCWGKCOOOM-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN COCCN[C@@H](C)c1ccncc1Cl ZINC000421798641 192384094 /nfs/dbraw/zinc/38/40/94/192384094.db2.gz BSDMULCTYYGTHB-QMMMGPOBSA-N 0 1 214.696 2.032 20 0 BEADMN COC(=O)CN(CC1CC(C)(C)C1)C1CC1 ZINC000599305900 349143338 /nfs/dbraw/zinc/14/33/38/349143338.db2.gz BTWKPMKAHLOLAI-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)N(Cc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC000432926750 192386900 /nfs/dbraw/zinc/38/69/00/192386900.db2.gz ZEFHFTOGHIBBJG-UHFFFAOYSA-N 0 1 236.363 2.475 20 0 BEADMN CC[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251839500 349192045 /nfs/dbraw/zinc/19/20/45/349192045.db2.gz LFWGZDDFNJPRGL-APPZFPTMSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1csc([C@H](C)CNCc2cocn2)n1 ZINC000192343359 179794754 /nfs/dbraw/zinc/79/47/54/179794754.db2.gz PDKAMTPSRNUFLQ-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CSCCCN1Cc2ccc(O)cc2C1 ZINC000599536785 349212738 /nfs/dbraw/zinc/21/27/38/349212738.db2.gz RZEZRBXJGGQQIV-UHFFFAOYSA-N 0 1 223.341 2.461 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000253113395 349224404 /nfs/dbraw/zinc/22/44/04/349224404.db2.gz HNZSVIMJBUOBET-WDEREUQCSA-N 0 1 243.347 2.129 20 0 BEADMN CC(C)c1nnc(CNC2CC3(CCC3)C2)[nH]1 ZINC000333840937 538034819 /nfs/dbraw/zinc/03/48/19/538034819.db2.gz NLOJDVUDQLZZJK-UHFFFAOYSA-N 0 1 234.347 2.350 20 0 BEADMN CC(C)SCCN1CCO[C@@H](CCF)C1 ZINC000599634861 349237154 /nfs/dbraw/zinc/23/71/54/349237154.db2.gz MFPDUYWSBLGGTA-NSHDSACASA-N 0 1 235.368 2.188 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252214821 349198628 /nfs/dbraw/zinc/19/86/28/349198628.db2.gz XJCWALCVOPDVMM-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN CCC[NH+](CCC)Cc1ncccc1[O-] ZINC000308955520 349202682 /nfs/dbraw/zinc/20/26/82/349202682.db2.gz ZARIOSPFMAEDFW-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2c2ccccc2)n[nH]1 ZINC000292181455 179834213 /nfs/dbraw/zinc/83/42/13/179834213.db2.gz MWJRWXDGHFWZQY-CYBMUJFWSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H](C)CC(C)C)o1 ZINC000309009923 349286426 /nfs/dbraw/zinc/28/64/26/349286426.db2.gz RIHGBJLLOWMLNO-DTWKUNHWSA-N 0 1 211.309 2.463 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H](C)CC(C)C)o1 ZINC000309009924 349286504 /nfs/dbraw/zinc/28/65/04/349286504.db2.gz RIHGBJLLOWMLNO-IUCAKERBSA-N 0 1 211.309 2.463 20 0 BEADMN CCOC(C)(C)CNCc1nccs1 ZINC000166972974 538037303 /nfs/dbraw/zinc/03/73/03/538037303.db2.gz QYJPDAYRECCLMA-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]2C2CCC2)[nH]1 ZINC000264836661 179878174 /nfs/dbraw/zinc/87/81/74/179878174.db2.gz HWCBARCPJKTRRR-LBPRGKRZSA-N 0 1 233.315 2.123 20 0 BEADMN O=C([O-])C[N@@H+](CCC1CCCC1)C1CC1 ZINC000300824127 349342642 /nfs/dbraw/zinc/34/26/42/349342642.db2.gz ZOTYIAOHCDGDND-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN COCC(COC)N[C@@H](C)c1cc(C)oc1C ZINC000395384839 323225065 /nfs/dbraw/zinc/22/50/65/323225065.db2.gz MRABGURGVYRASD-JTQLQIEISA-N 0 1 241.331 2.208 20 0 BEADMN CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061448894 349368282 /nfs/dbraw/zinc/36/82/82/349368282.db2.gz JYOOQOOCZJRRMO-CYBMUJFWSA-N 0 1 233.311 2.298 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H](C)CC(C)C ZINC000300903780 349425537 /nfs/dbraw/zinc/42/55/37/349425537.db2.gz LFBKFCFNWKFBSZ-LLVKDONJSA-N 0 1 215.337 2.465 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC000070914579 350073781 /nfs/dbraw/zinc/07/37/81/350073781.db2.gz RKTRJPRMHYKDBD-SSDOTTSWSA-N 0 1 227.226 2.124 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914717 350073852 /nfs/dbraw/zinc/07/38/52/350073852.db2.gz BADAHXCPUJBWRX-VIFPVBQESA-N 0 1 239.237 2.126 20 0 BEADMN CC(C)C[C@H](CO)N[C@H](C)c1nccs1 ZINC000083143126 191007402 /nfs/dbraw/zinc/00/74/02/191007402.db2.gz QIJGYTAQTJCYIJ-NXEZZACHSA-N 0 1 228.361 2.201 20 0 BEADMN CCc1noc(CN2CCCCC[C@@H]2C)n1 ZINC000603942351 350057975 /nfs/dbraw/zinc/05/79/75/350057975.db2.gz HDNPUOCYATWPTO-JTQLQIEISA-N 0 1 223.320 2.397 20 0 BEADMN Cc1nnc(NC(=O)C2(CC(C)C)CCC2)[nH]1 ZINC000119067087 180005021 /nfs/dbraw/zinc/00/50/21/180005021.db2.gz LQUSUOFJYOKARL-UHFFFAOYSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)[nH]1 ZINC000294640812 180010583 /nfs/dbraw/zinc/01/05/83/180010583.db2.gz QOMWELLJYPOIIH-NQMVMOMDSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)CC(C)(C)C)[nH]1 ZINC000356295262 180010748 /nfs/dbraw/zinc/01/07/48/180010748.db2.gz CBTCMMAPIPFWRX-ZETCQYMHSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCCCC2(C)C)[nH]1 ZINC000192585035 180011225 /nfs/dbraw/zinc/01/12/25/180011225.db2.gz HRIDSSLDRSIGOQ-VIFPVBQESA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)CC(C)(C)C)[nH]1 ZINC000356295261 180012115 /nfs/dbraw/zinc/01/21/15/180012115.db2.gz CBTCMMAPIPFWRX-SSDOTTSWSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nc([C@@H](C)Sc2nc(C)c(C)[nH]2)n[nH]1 ZINC000335179662 180040362 /nfs/dbraw/zinc/04/03/62/180040362.db2.gz XESFMRSFYAWHHU-SSDOTTSWSA-N 0 1 237.332 2.306 20 0 BEADMN Cc1nc([C@H](C)N2CCCC(C)(C)C2)n[nH]1 ZINC000336278029 180047471 /nfs/dbraw/zinc/04/74/71/180047471.db2.gz ZYQBUTSHNPFBBK-VIFPVBQESA-N 0 1 222.336 2.296 20 0 BEADMN Cc1nc([C@H](C)N2CCC(F)(F)[C@@H](C)C2)n[nH]1 ZINC000334580768 180047516 /nfs/dbraw/zinc/04/75/16/180047516.db2.gz AZGONDBBFQAAAH-YUMQZZPRSA-N 0 1 244.289 2.151 20 0 BEADMN Cc1nc([C@H](C)S[C@@H]2CCO[C@H]2C)n[nH]1 ZINC000334039629 180052486 /nfs/dbraw/zinc/05/24/86/180052486.db2.gz NYLIBEPRSNOWPY-ACLDMZEESA-N 0 1 227.333 2.085 20 0 BEADMN Cc1nc([C@H](C)S[C@@H]2CCCOC2)n[nH]1 ZINC000334030133 180053223 /nfs/dbraw/zinc/05/32/23/180053223.db2.gz KEMKYICMIGRREX-IONNQARKSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@H](C)S[C@@H]2CCO[C@@H]2C)n[nH]1 ZINC000334039630 180053405 /nfs/dbraw/zinc/05/34/05/180053405.db2.gz NYLIBEPRSNOWPY-BKPPORCPSA-N 0 1 227.333 2.085 20 0 BEADMN Cc1nc2cccc(C(=O)NC(C)(C)C)c2[nH]1 ZINC000074732608 180061378 /nfs/dbraw/zinc/06/13/78/180061378.db2.gz BXXWPHLLVGUMIB-UHFFFAOYSA-N 0 1 231.299 2.400 20 0 BEADMN Cc1nc2cccc(C(=O)NCC3CCC3)c2[nH]1 ZINC000283464338 180061718 /nfs/dbraw/zinc/06/17/18/180061718.db2.gz LWIWVVIUDCTRHM-UHFFFAOYSA-N 0 1 243.310 2.401 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000304178615 350147733 /nfs/dbraw/zinc/14/77/33/350147733.db2.gz LBOANXXQZBVOAA-JTQLQIEISA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H]1C[C@@H](NC(C)(C)C(F)F)CCO1 ZINC000306334805 490340573 /nfs/dbraw/zinc/34/05/73/490340573.db2.gz GDLRPZFUAJAKQY-YUMQZZPRSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000304197048 350148786 /nfs/dbraw/zinc/14/87/86/350148786.db2.gz UWYIDVPESRCNAG-GXSJLCMTSA-N 0 1 247.285 2.218 20 0 BEADMN C[C@@H]1C[C@@H](NC(C)(C)C(F)F)CCO1 ZINC000306334803 490340953 /nfs/dbraw/zinc/34/09/53/490340953.db2.gz GDLRPZFUAJAKQY-SFYZADRCSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1nc2cc(N[C@H]3CCCOC3)ccc2[nH]1 ZINC000070464646 180096385 /nfs/dbraw/zinc/09/63/85/180096385.db2.gz PXCGNDSODZECDA-NSHDSACASA-N 0 1 231.299 2.462 20 0 BEADMN C[C@H](Nc1ncc(Cl)s1)c1nnc[nH]1 ZINC000307077653 490343226 /nfs/dbraw/zinc/34/32/26/490343226.db2.gz GIPYUXYFZXFQMK-BYPYZUCNSA-N 0 1 229.696 2.088 20 0 BEADMN Cc1nc2cccc(C(=O)NCC[C@H](C)F)c2[nH]1 ZINC000356680423 180099834 /nfs/dbraw/zinc/09/98/34/180099834.db2.gz JGUQCXJNGNYMTF-QMMMGPOBSA-N 0 1 249.289 2.349 20 0 BEADMN Cc1ncc(CN(C)C[C@H](O)C(C)(C)C)s1 ZINC000284318817 180136806 /nfs/dbraw/zinc/13/68/06/180136806.db2.gz POFTYTSTLNMODO-NSHDSACASA-N 0 1 242.388 2.290 20 0 BEADMN Cc1ncc(CN(C)CC2=CCCOC2)s1 ZINC000179383591 180137827 /nfs/dbraw/zinc/13/78/27/180137827.db2.gz SLHPHVPCFUNINU-UHFFFAOYSA-N 0 1 238.356 2.230 20 0 BEADMN Cc1ncc(CN(C)C[C@@H]2CC[C@@H](C)O2)s1 ZINC000248909873 180137881 /nfs/dbraw/zinc/13/78/81/180137881.db2.gz MQQWDPVZRYSSMV-KOLCDFICSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc(CN2CCCO[C@@H](C(C)C)C2)cn1 ZINC000339826218 180142016 /nfs/dbraw/zinc/14/20/16/180142016.db2.gz MCVGJLGEZOERIS-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1ncc(CN2CCCO[C@@H](C)C2)s1 ZINC000170764562 180142528 /nfs/dbraw/zinc/14/25/28/180142528.db2.gz KXRHCYRFXONHMU-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncc(CN[C@H](C)CC(F)(F)F)cn1 ZINC000309359699 180155938 /nfs/dbraw/zinc/15/59/38/180155938.db2.gz AIAMDLDZUTWZPT-SSDOTTSWSA-N 0 1 233.237 2.216 20 0 BEADMN CCCN(CCO)Cc1oc(C(C)C)nc1C ZINC000428454251 191075350 /nfs/dbraw/zinc/07/53/50/191075350.db2.gz CZCGJPUYWRIBLD-UHFFFAOYSA-N 0 1 240.347 2.311 20 0 BEADMN Cc1ncc(C[NH2+][C@H]2CCCc3cn[nH]c32)s1 ZINC000268877097 180158148 /nfs/dbraw/zinc/15/81/48/180158148.db2.gz WWJOMZXMSMJEIZ-NSHDSACASA-N 0 1 248.355 2.342 20 0 BEADMN Cc1cc(C(=O)Nc2ccc3cncn3c2)co1 ZINC001639572891 1172120295 /nfs/dbraw/zinc/12/02/95/1172120295.db2.gz UERZQKGSJGUAEX-UHFFFAOYSA-N 0 1 241.250 2.488 20 0 BEADMN Cc1ncc(CN2CC[C@@H](O)C(C)(C)C2)s1 ZINC000275496787 180146990 /nfs/dbraw/zinc/14/69/90/180146990.db2.gz QGZIGRCETQWPMJ-LLVKDONJSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1ncc(CNC(C)(C)CF)s1 ZINC000308309716 180150317 /nfs/dbraw/zinc/15/03/17/180150317.db2.gz QQYKDWDESZWXEU-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN Cc1ncc(CNCc2c(C)n[nH]c2C)s1 ZINC000040997657 180152325 /nfs/dbraw/zinc/15/23/25/180152325.db2.gz QMHNZPBSQXPPOX-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1nccc(N[C@H]2CCOC2)c1Cl ZINC000307616680 180207623 /nfs/dbraw/zinc/20/76/23/180207623.db2.gz UACUMUMNYGXNPZ-QMMMGPOBSA-N 0 1 212.680 2.244 20 0 BEADMN Cc1nccc(CN2CCCC3(CC3)C2)n1 ZINC000336613748 180184778 /nfs/dbraw/zinc/18/47/78/180184778.db2.gz ZYBSPXBFPCMVES-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN Cc1ncccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000310971534 180219233 /nfs/dbraw/zinc/21/92/33/180219233.db2.gz RHHJYPKGWMQXOJ-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CC/C=C\CCN[C@H](C)c1nnc(C)o1 ZINC000309089105 323315662 /nfs/dbraw/zinc/31/56/62/323315662.db2.gz BNWIKUWZOWQOHA-SSJHQANKSA-N 0 1 209.293 2.385 20 0 BEADMN COC[C@H](C)NCc1nc2ccccc2s1 ZINC000037977692 350297539 /nfs/dbraw/zinc/29/75/39/350297539.db2.gz YJCSINROVBXLTP-VIFPVBQESA-N 0 1 236.340 2.421 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)cc(C)c1 ZINC000038018015 350299213 /nfs/dbraw/zinc/29/92/13/350299213.db2.gz UIIAPBYXIGJRDJ-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1CCCCN1C ZINC000606344897 350315398 /nfs/dbraw/zinc/31/53/98/350315398.db2.gz XATGMCGBCYRTIF-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1nccnc1[C@H](C)NC1CC(F)(F)C1 ZINC000277223252 180282545 /nfs/dbraw/zinc/28/25/45/180282545.db2.gz XYFNUGSNIAPSKB-QMMMGPOBSA-N 0 1 227.258 2.233 20 0 BEADMN CCN(CC(=O)Nc1ccccc1)C1CCC1 ZINC000606434512 350337568 /nfs/dbraw/zinc/33/75/68/350337568.db2.gz JKGIAZGTQQXOGR-UHFFFAOYSA-N 0 1 232.327 2.500 20 0 BEADMN CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000309369003 350354416 /nfs/dbraw/zinc/35/44/16/350354416.db2.gz PZMZDRPRRRXXFK-VIFPVBQESA-N 0 1 225.263 2.121 20 0 BEADMN Cc1ncsc1CN1CCOCC2(CC2)C1 ZINC000335158560 180317063 /nfs/dbraw/zinc/31/70/63/180317063.db2.gz SUPIQLYOGPRFLO-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(F)cc1F ZINC000069092800 350328644 /nfs/dbraw/zinc/32/86/44/350328644.db2.gz TXRGWNFIFPSOKR-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN Cc1nn(-c2ccncc2)cc1C[N@@H+](C)C1CC1 ZINC000346170915 180330179 /nfs/dbraw/zinc/33/01/79/180330179.db2.gz KJVUTRCTLLHQTH-UHFFFAOYSA-N 0 1 242.326 2.170 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@H]1CCC[C@H]1F ZINC000335013843 180341594 /nfs/dbraw/zinc/34/15/94/180341594.db2.gz XWUHSBNOYVYJRK-NEPJUHHUSA-N 0 1 225.311 2.017 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H]1C ZINC000037910717 180348434 /nfs/dbraw/zinc/34/84/34/180348434.db2.gz GRLYPXBPNOHFNX-QMMMGPOBSA-N 0 1 227.739 2.366 20 0 BEADMN CCN(Cc1nccn1CC)C1CCC1 ZINC000336643670 350414952 /nfs/dbraw/zinc/41/49/52/350414952.db2.gz DGECMTWMQJQJPA-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccc(O)cc1 ZINC000112019250 180339706 /nfs/dbraw/zinc/33/97/06/180339706.db2.gz QFCFJEAXGDQNTI-UHFFFAOYSA-N 0 1 245.326 2.032 20 0 BEADMN CCN(Cc1nnc(C)o1)CC1CCC1 ZINC000336690628 350447067 /nfs/dbraw/zinc/44/70/67/350447067.db2.gz HTWCPMBXEOBZJO-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN CCN(Cc1cnns1)CC1CCC1 ZINC000336702045 350451966 /nfs/dbraw/zinc/45/19/66/350451966.db2.gz YNKWKUGKECEXBZ-UHFFFAOYSA-N 0 1 211.334 2.160 20 0 BEADMN Cc1nn(C)cc1CNc1ccc2c(n1)CCC2 ZINC000134301334 180375452 /nfs/dbraw/zinc/37/54/52/180375452.db2.gz QVGFKUJUINEYNU-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN Cc1nn(C)cc1CN[C@H]1CCCc2occc21 ZINC000125961807 180376456 /nfs/dbraw/zinc/37/64/56/180376456.db2.gz DULCWEUPHXRITJ-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN Cn1nccc1-c1nc2ccc(F)cc2[nH]1 ZINC000070234691 350518191 /nfs/dbraw/zinc/51/81/91/350518191.db2.gz ZDSGDJHEZOOPFV-UHFFFAOYSA-N 0 1 216.219 2.103 20 0 BEADMN CC[C@@H](NC1CN(C(C)=O)C1)c1ccsc1 ZINC000577507403 365972816 /nfs/dbraw/zinc/97/28/16/365972816.db2.gz ZMFDXQCBXQSTJS-GFCCVEGCSA-N 0 1 238.356 2.020 20 0 BEADMN COC(=O)c1ccc(CNCC2(F)CC2)cc1 ZINC000577493403 365968541 /nfs/dbraw/zinc/96/85/41/365968541.db2.gz FOZBTKMTSKYERX-UHFFFAOYSA-N 0 1 237.274 2.065 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NCc2cc[nH]n2)CS1 ZINC000309397261 323372674 /nfs/dbraw/zinc/37/26/74/323372674.db2.gz VQFJPWHTDPOBLO-MNOVXSKESA-N 0 1 239.388 2.420 20 0 BEADMN CCc1nnc(SC[C@@H](F)CC)[nH]1 ZINC000336648936 350568743 /nfs/dbraw/zinc/56/87/43/350568743.db2.gz GSJUTEHFEAHDLD-LURJTMIESA-N 0 1 203.286 2.207 20 0 BEADMN CCc1n[nH]c(SC[C@@H](F)CC)n1 ZINC000336648936 350568746 /nfs/dbraw/zinc/56/87/46/350568746.db2.gz GSJUTEHFEAHDLD-LURJTMIESA-N 0 1 203.286 2.207 20 0 BEADMN CC(C)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000443994605 191111100 /nfs/dbraw/zinc/11/11/00/191111100.db2.gz LJMOSMHLOOYKDV-SNVBAGLBSA-N 0 1 245.330 2.225 20 0 BEADMN CN(C(=O)c1ccn[nH]1)[C@@H]1CCc2ccccc21 ZINC000051034392 350560257 /nfs/dbraw/zinc/56/02/57/350560257.db2.gz NSSBDGQFDKWSPT-CYBMUJFWSA-N 0 1 241.294 2.169 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)NCc1cc(C)[nH]n1 ZINC000606695149 350561549 /nfs/dbraw/zinc/56/15/49/350561549.db2.gz GPRGLWULJSSQSD-SNVBAGLBSA-N 0 1 238.335 2.048 20 0 BEADMN CCC[C@H](C)N(C)C(=O)NCc1cc(C)[nH]n1 ZINC000606695148 350561864 /nfs/dbraw/zinc/56/18/64/350561864.db2.gz GPRGLWULJSSQSD-JTQLQIEISA-N 0 1 238.335 2.048 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@H](C)CC(C)C ZINC000337216261 350562964 /nfs/dbraw/zinc/56/29/64/350562964.db2.gz ZDFRPXOEGUHSHD-GFCCVEGCSA-N 0 1 238.379 2.319 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N(C)[C@H](C)C1 ZINC000337436648 350585110 /nfs/dbraw/zinc/58/51/10/350585110.db2.gz CTCXCOPVTWJXJX-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)C(=O)[O-] ZINC000236911245 350743747 /nfs/dbraw/zinc/74/37/47/350743747.db2.gz JSDSJGZCOUBFBV-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN CC(C)CN(C(=O)CN1C[C@H](C)[C@@H]1C)C(C)C ZINC000339561222 350766062 /nfs/dbraw/zinc/76/60/62/350766062.db2.gz DVQMRVVXHVPENN-STQMWFEESA-N 0 1 240.391 2.220 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000006233528 350794891 /nfs/dbraw/zinc/79/48/91/350794891.db2.gz NBBSYLURZRVBGM-CYBMUJFWSA-N 0 1 233.311 2.352 20 0 BEADMN Cc1ncc(CNC[C@H]2Cc3ccccc3O2)o1 ZINC000397991880 362981590 /nfs/dbraw/zinc/98/15/90/362981590.db2.gz PVVDOMIMMDEDHY-GFCCVEGCSA-N 0 1 244.294 2.076 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@H]2CC2(F)F)o1 ZINC000628311353 350812171 /nfs/dbraw/zinc/81/21/71/350812171.db2.gz JTNGEITURFKULE-HZGVNTEJSA-N 0 1 216.231 2.116 20 0 BEADMN C/C=C\CNCc1cn2cccc(F)c2n1 ZINC000623739104 350882133 /nfs/dbraw/zinc/88/21/33/350882133.db2.gz INEMCQLQXCFUDE-IHWYPQMZSA-N 0 1 219.263 2.139 20 0 BEADMN C[C@@H](C[N@H+]1CCCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000571291796 350886602 /nfs/dbraw/zinc/88/66/02/350886602.db2.gz VAOWCPMZCLAVMY-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1ncc(CNCCSC(C)C)o1 ZINC000397889481 350986643 /nfs/dbraw/zinc/98/66/43/350986643.db2.gz FKDFFQYCMDYAMV-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN CCc1nc(C)c(CN[C@@H](C)[C@H](C)OC)o1 ZINC000291818050 350989116 /nfs/dbraw/zinc/98/91/16/350989116.db2.gz DIGRHTIMGPAGRI-WPRPVWTQSA-N 0 1 226.320 2.058 20 0 BEADMN CCc1nc(C)c(CNCc2cc[nH]c2)o1 ZINC000291826413 350999282 /nfs/dbraw/zinc/99/92/82/350999282.db2.gz ZRZBIIWEJICMJN-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN CC1(C)CC([NH2+]Cc2cnn[n-]2)CC(C)(C)C1 ZINC000398351402 351048469 /nfs/dbraw/zinc/04/84/69/351048469.db2.gz FPQCPTJWFNRWJL-UHFFFAOYSA-N 0 1 236.363 2.499 20 0 BEADMN C/C=C/CNCc1cn2cc(C)ccc2n1 ZINC000623740383 351052243 /nfs/dbraw/zinc/05/22/43/351052243.db2.gz UNRBUXZXDCZPRF-ONEGZZNKSA-N 0 1 215.300 2.308 20 0 BEADMN CCCNC(=O)[C@H](C)N(C)Cc1ccccc1C ZINC000070740435 351063943 /nfs/dbraw/zinc/06/39/43/351063943.db2.gz WZYKICBNVLNRIU-ZDUSSCGKSA-N 0 1 248.370 2.342 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1CC12CC2 ZINC000628318823 351106352 /nfs/dbraw/zinc/10/63/52/351106352.db2.gz VSFNXIDXYRBVFB-SNVBAGLBSA-N 0 1 204.273 2.194 20 0 BEADMN Cc1cc(C)c(CNCc2c[nH]nn2)cc1C ZINC000398369399 351124702 /nfs/dbraw/zinc/12/47/02/351124702.db2.gz QGOXTMVHOSPEBI-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CC(C)C1CCC(C[NH2+]Cc2cnn[n-]2)CC1 ZINC000398421129 351150326 /nfs/dbraw/zinc/15/03/26/351150326.db2.gz YJOXGMVAJIKVMP-UHFFFAOYSA-N 0 1 236.363 2.357 20 0 BEADMN CCSc1cccc(CNCc2c[nH]nn2)c1 ZINC000623578304 363011641 /nfs/dbraw/zinc/01/16/41/363011641.db2.gz BMXVKXPSAXTPJV-UHFFFAOYSA-N 0 1 248.355 2.207 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000342398418 535159092 /nfs/dbraw/zinc/15/90/92/535159092.db2.gz GUUOLHPZEUGVEO-SECBINFHSA-N 0 1 235.331 2.404 20 0 BEADMN CC[C@@H](O)C[N@@H+](Cc1ccco1)C(C)C ZINC000264497494 351240917 /nfs/dbraw/zinc/24/09/17/351240917.db2.gz XJQQRKACEOZCGX-LLVKDONJSA-N 0 1 211.305 2.261 20 0 BEADMN CSCCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000083405890 351263762 /nfs/dbraw/zinc/26/37/62/351263762.db2.gz BNVABDYQCSYGFK-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2ccsc2)n[nH]1 ZINC000054130374 351294545 /nfs/dbraw/zinc/29/45/45/351294545.db2.gz XEKSDBMHOOOSDJ-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CC[C@H]1CCCC[C@H]1CN1CCc2nn[nH]c2C1 ZINC000628352525 351316646 /nfs/dbraw/zinc/31/66/46/351316646.db2.gz LTKJRMHERRPMQG-RYUDHWBXSA-N 0 1 248.374 2.379 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268978921 351344326 /nfs/dbraw/zinc/34/43/26/351344326.db2.gz IJXHLAQCEHCOQG-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN CCN1CCCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000269126981 351346565 /nfs/dbraw/zinc/34/65/65/351346565.db2.gz HHNQMDWPWBGJQY-ZDUSSCGKSA-N 0 1 248.326 2.205 20 0 BEADMN CCc1nc(CN(C)Cc2cccs2)n[nH]1 ZINC000274666169 351576681 /nfs/dbraw/zinc/57/66/81/351576681.db2.gz RBYXDHQANGFGBS-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN O=C([O-])C[N@@H+](CC1CCCC1)C1CCC1 ZINC000577650357 366032906 /nfs/dbraw/zinc/03/29/06/366032906.db2.gz ONVURUQMUVZYLN-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCNC[C@H]1C ZINC000637816340 351656235 /nfs/dbraw/zinc/65/62/35/351656235.db2.gz HIIJMPJJXLPBSY-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000577642689 366029694 /nfs/dbraw/zinc/02/96/94/366029694.db2.gz QTTONGHBXZSECY-UHFFFAOYSA-N 0 1 211.286 2.041 20 0 BEADMN CC1CCN(Cc2cc3c(cn2)OCCO3)CC1 ZINC000637834837 351689184 /nfs/dbraw/zinc/68/91/84/351689184.db2.gz AHFLKLPHRWYDGN-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Cc1ccc(CN2CCC[C@H](O)C2)c(F)c1 ZINC000637836754 351690581 /nfs/dbraw/zinc/69/05/81/351690581.db2.gz SHBCQUIXUUPAGD-LBPRGKRZSA-N 0 1 223.291 2.091 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000637842242 351698899 /nfs/dbraw/zinc/69/88/99/351698899.db2.gz SBAFYHNJSQQLFD-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccn(C)n1 ZINC000631702697 363082561 /nfs/dbraw/zinc/08/25/61/363082561.db2.gz KYBOCJJHQVRCMF-SRRSOLGSSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2C)CCN1 ZINC000577727585 366045876 /nfs/dbraw/zinc/04/58/76/366045876.db2.gz SEMUMFZKWUKFHS-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CCN([C@H](c1nccn1C)C1CC1)C1CC1 ZINC000637905733 351778500 /nfs/dbraw/zinc/77/85/00/351778500.db2.gz SQHMWCJPEXDMAD-LBPRGKRZSA-N 0 1 219.332 2.356 20 0 BEADMN CCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278329094 351757721 /nfs/dbraw/zinc/75/77/21/351757721.db2.gz AXMFHDLOYJUCID-SNVBAGLBSA-N 0 1 224.279 2.084 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1oc(CN)cc1C ZINC000637946263 351821807 /nfs/dbraw/zinc/82/18/07/351821807.db2.gz YPKZQABPMHYHLE-WPRPVWTQSA-N 0 1 238.331 2.211 20 0 BEADMN Cc1cc(CNCc2cccnc2C)ccn1 ZINC000391178268 259420569 /nfs/dbraw/zinc/42/05/69/259420569.db2.gz OPWLIEOXIFTDOH-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000637939176 351816412 /nfs/dbraw/zinc/81/64/12/351816412.db2.gz FUEFBXTXZDCUJG-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cn1cc(CN[C@H]2CCC[C@@H]2F)c(C(F)F)n1 ZINC000339581802 180652142 /nfs/dbraw/zinc/65/21/42/180652142.db2.gz CDCAWIUYHBPXAF-IUCAKERBSA-N 0 1 247.264 2.338 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000638044043 351923393 /nfs/dbraw/zinc/92/33/93/351923393.db2.gz KBZZCJOUEGGQMY-AOOOYVTPSA-N 0 1 236.315 2.060 20 0 BEADMN Cc1ccc(C[N@@H+](CCCO)C2CC2)c(F)c1 ZINC000638075772 351947697 /nfs/dbraw/zinc/94/76/97/351947697.db2.gz MBWCCJBSVHTSOH-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN Cc1ccc(CN(CCCO)C2CC2)c(F)c1 ZINC000638075772 351947699 /nfs/dbraw/zinc/94/76/99/351947699.db2.gz MBWCCJBSVHTSOH-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN CCN(Cc1cc(C)cc(C)c1)[C@@H]1CCNC1=O ZINC000282383921 351931052 /nfs/dbraw/zinc/93/10/52/351931052.db2.gz ONAQATBTSCHHBT-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN c1cc(CN2CCC[C@@H](n3ccnc3)C2)sn1 ZINC000638018552 351896915 /nfs/dbraw/zinc/89/69/15/351896915.db2.gz QZLXHBGBCHZLHH-LLVKDONJSA-N 0 1 248.355 2.177 20 0 BEADMN CC[C@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000618871183 351946151 /nfs/dbraw/zinc/94/61/51/351946151.db2.gz PAHKBRCGCMLTAR-NSHDSACASA-N 0 1 243.310 2.481 20 0 BEADMN Cn1c(C[N@@H+](C)[C@H]2CCOC2)cc2ccccc21 ZINC000638030015 351910925 /nfs/dbraw/zinc/91/09/25/351910925.db2.gz YOXPEIPMXPTNRE-ZDUSSCGKSA-N 0 1 244.338 2.399 20 0 BEADMN CC(C)c1ccc(NC(=O)N2CCNCC2)cc1 ZINC000006810066 363100182 /nfs/dbraw/zinc/10/01/82/363100182.db2.gz WUUYERZVGLMPSV-UHFFFAOYSA-N 0 1 247.342 2.247 20 0 BEADMN CCC[C@@H](C[N@H+]1CCSC[C@H]1C)OC ZINC000638081556 351957332 /nfs/dbraw/zinc/95/73/32/351957332.db2.gz AJFLQWQGRSJDAE-MNOVXSKESA-N 0 1 217.378 2.239 20 0 BEADMN CN([C@@H](c1nccn1C)C1CC1)C1CCC1 ZINC000638089953 351967037 /nfs/dbraw/zinc/96/70/37/351967037.db2.gz STKSACMRNCAYQZ-GFCCVEGCSA-N 0 1 219.332 2.356 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(C)cc2F)C1 ZINC000638094030 351973464 /nfs/dbraw/zinc/97/34/64/351973464.db2.gz XLXNVXWNLMCLAD-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN CC[C@@H](NCc1n[nH]cc1C)c1ccncc1 ZINC000283733932 351982539 /nfs/dbraw/zinc/98/25/39/351982539.db2.gz CNNHBFOARPMGAT-GFCCVEGCSA-N 0 1 230.315 2.354 20 0 BEADMN CC(C)C1(CN2CCC[C@H]2c2nncn2C)CC1 ZINC000638136866 352003902 /nfs/dbraw/zinc/00/39/02/352003902.db2.gz OAOZTCGZCKOPSC-LBPRGKRZSA-N 0 1 248.374 2.388 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000287369668 352123723 /nfs/dbraw/zinc/12/37/23/352123723.db2.gz XEELHCQYIOSYIA-GFCCVEGCSA-N 0 1 243.310 2.253 20 0 BEADMN CCc1cc(CN[C@@H]2CS[C@@H](C)C2)on1 ZINC000638276046 352113188 /nfs/dbraw/zinc/11/31/88/352113188.db2.gz WKKIDYOKVBKBEK-WPRPVWTQSA-N 0 1 226.345 2.221 20 0 BEADMN CC[N@@H+](Cc1cnn(C)c1)CC1(C)CCC1 ZINC000340287629 352155130 /nfs/dbraw/zinc/15/51/30/352155130.db2.gz WIKLYYQFJFJXCR-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CCN1CC[N@H+](Cc2occc2C)[C@@H](C)C1 ZINC000289792140 352197891 /nfs/dbraw/zinc/19/78/91/352197891.db2.gz SCJJKIYEPSYZHY-LBPRGKRZSA-N 0 1 222.332 2.114 20 0 BEADMN CC1(C)CN(Cc2cccnc2)[C@@H]1[C@@H]1CCCO1 ZINC000289993031 352205734 /nfs/dbraw/zinc/20/57/34/352205734.db2.gz YNOOEKIFSSKAEC-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2CCCC2)n1 ZINC000041052630 187630918 /nfs/dbraw/zinc/63/09/18/187630918.db2.gz CBLPUMDRTWXNRQ-SECBINFHSA-N 0 1 209.293 2.383 20 0 BEADMN CCN(Cc1[nH]ncc1C)CC(F)(F)F ZINC000290542978 352229698 /nfs/dbraw/zinc/22/96/98/352229698.db2.gz WDWHWOYBYUJPBJ-UHFFFAOYSA-N 0 1 221.226 2.102 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC1CC2(CCC2)C1 ZINC000638424406 352232260 /nfs/dbraw/zinc/23/22/60/352232260.db2.gz IIRBLQFZRCABHT-UHFFFAOYSA-N 0 1 248.326 2.109 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)c1cnc(C)[nH]1 ZINC000291025112 352256338 /nfs/dbraw/zinc/25/63/38/352256338.db2.gz SVBJVCFEEQQTJJ-SECBINFHSA-N 0 1 223.320 2.369 20 0 BEADMN CCC(O)(CC)CNCc1nc2ccccc2o1 ZINC000638448401 352259918 /nfs/dbraw/zinc/25/99/18/352259918.db2.gz PMKBDWXIJAMURV-UHFFFAOYSA-N 0 1 248.326 2.469 20 0 BEADMN CCN(Cc1ccn(C)n1)CC(C)(C)C ZINC000291114226 352262020 /nfs/dbraw/zinc/26/20/20/352262020.db2.gz TXFUUNWBFJUBMO-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN Cc1ncc(CN2CCC(C)(F)CC2)o1 ZINC000630073972 363157415 /nfs/dbraw/zinc/15/74/15/363157415.db2.gz ZSPYPYXYYUDLQE-UHFFFAOYSA-N 0 1 212.268 2.307 20 0 BEADMN OCc1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000630073697 363157739 /nfs/dbraw/zinc/15/77/39/363157739.db2.gz ASUIMJJBZRAZSB-UHFFFAOYSA-N 0 1 239.265 2.020 20 0 BEADMN CCCN(CCC)[C@@H](C)c1nc(COC)no1 ZINC000411170708 191166334 /nfs/dbraw/zinc/16/63/34/191166334.db2.gz XRVYKDKXTNDGEY-JTQLQIEISA-N 0 1 241.335 2.399 20 0 BEADMN CC1(C)CN(Cc2ccc(CO)o2)[C@@H]1C1CC1 ZINC000291544017 352279084 /nfs/dbraw/zinc/27/90/84/352279084.db2.gz LPOXMNTYVGMUIV-CYBMUJFWSA-N 0 1 235.327 2.392 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000291895338 352294192 /nfs/dbraw/zinc/29/41/92/352294192.db2.gz KDCLUDWWADUEAI-CHWSQXEVSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)CCC1CCC1 ZINC000638487079 352296432 /nfs/dbraw/zinc/29/64/32/352296432.db2.gz LADXJFZDJAEERB-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(CC)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638489126 352298232 /nfs/dbraw/zinc/29/82/32/352298232.db2.gz IWYOZHAKTLGZJE-ZDUSSCGKSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(C)(C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638488982 352298256 /nfs/dbraw/zinc/29/82/56/352298256.db2.gz YOIHQZFLQJMYFD-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638487970 352298343 /nfs/dbraw/zinc/29/83/43/352298343.db2.gz SDNWYXWOHHVUPT-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)CCC(C)(C)C ZINC000638488059 352299156 /nfs/dbraw/zinc/29/91/56/352299156.db2.gz UGAQFGRBCGXRGW-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCCN(CC(F)F)[C@H](C)c1n[nH]c(C)n1 ZINC000411224294 191170821 /nfs/dbraw/zinc/17/08/21/191170821.db2.gz JDKCOIRYEVIGDS-SSDOTTSWSA-N 0 1 232.278 2.151 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)[nH]1 ZINC000411425929 191186676 /nfs/dbraw/zinc/18/66/76/191186676.db2.gz NBDQLWSIASLVLJ-BBBLOLIVSA-N 0 1 222.336 2.152 20 0 BEADMN CCn1ccnc1[C@H]1CCCCN1CC ZINC000294296102 352374366 /nfs/dbraw/zinc/37/43/66/352374366.db2.gz WSULCGHRHWLTME-LLVKDONJSA-N 0 1 207.321 2.450 20 0 BEADMN CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cc(C)on1 ZINC000340467208 352379173 /nfs/dbraw/zinc/37/91/73/352379173.db2.gz XVZDDWVJJMMHKF-NEPJUHHUSA-N 0 1 237.347 2.118 20 0 BEADMN CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cc(C)on1 ZINC000340467211 352379422 /nfs/dbraw/zinc/37/94/22/352379422.db2.gz XVZDDWVJJMMHKF-VXGBXAGGSA-N 0 1 237.347 2.118 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccnc2OC)C1 ZINC000294789711 352384874 /nfs/dbraw/zinc/38/48/74/352384874.db2.gz KQWAMQLQNUIZME-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CC1(C)CN(Cc2c[nH]nn2)Cc2ccccc21 ZINC000294935043 352389367 /nfs/dbraw/zinc/38/93/67/352389367.db2.gz KQACHNUHFMMJJO-UHFFFAOYSA-N 0 1 242.326 2.098 20 0 BEADMN CC(C)CC[C@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000295022900 352393673 /nfs/dbraw/zinc/39/36/73/352393673.db2.gz CLGGLODKWSWPBK-AAEUAGOBSA-N 0 1 249.358 2.022 20 0 BEADMN C[C@H]1COC[C@@H](c2ccccc2)N1CCCCO ZINC000411429569 191184248 /nfs/dbraw/zinc/18/42/48/191184248.db2.gz RDOOQGIXRODWGO-ZFWWWQNUSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1COC[C@H](c2ccccc2)N1CCCCO ZINC000411429568 191184582 /nfs/dbraw/zinc/18/45/82/191184582.db2.gz RDOOQGIXRODWGO-UKRRQHHQSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@H](CO)N(C)Cc1ccc(OC)cc1F ZINC000379094724 352412117 /nfs/dbraw/zinc/41/21/17/352412117.db2.gz MQCZZQDVMAHJRK-LLVKDONJSA-N 0 1 241.306 2.037 20 0 BEADMN CC(C)N(Cc1ccco1)C(=O)c1ccn[nH]1 ZINC000298622308 187700851 /nfs/dbraw/zinc/70/08/51/187700851.db2.gz QEXWEKUWEKEHNU-UHFFFAOYSA-N 0 1 233.271 2.054 20 0 BEADMN COC(=O)[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000411724117 191206258 /nfs/dbraw/zinc/20/62/58/191206258.db2.gz TZVFFSAHBIKDAC-RSLMWUCJSA-N 0 1 239.359 2.352 20 0 BEADMN COC(=O)Nc1cccc(Cl)c1O ZINC000307375710 352474674 /nfs/dbraw/zinc/47/46/74/352474674.db2.gz VKKIVQCZNUOJPM-UHFFFAOYSA-N 0 1 201.609 2.224 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccn(C)n1 ZINC000411828628 191214155 /nfs/dbraw/zinc/21/41/55/191214155.db2.gz VVOGTURYBUOWRM-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN CC(C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000298725086 352510766 /nfs/dbraw/zinc/51/07/66/352510766.db2.gz PSYXXPWXYASMEJ-UHFFFAOYSA-N 0 1 217.263 2.366 20 0 BEADMN CC(C)CN(C)Cc1nccn1C(F)F ZINC000298725086 352510768 /nfs/dbraw/zinc/51/07/68/352510768.db2.gz PSYXXPWXYASMEJ-UHFFFAOYSA-N 0 1 217.263 2.366 20 0 BEADMN CC[C@@H](NC[C@H]1CCCO1)c1nccs1 ZINC000045206170 352588346 /nfs/dbraw/zinc/58/83/46/352588346.db2.gz ZFHYGFPIOJLJTR-NXEZZACHSA-N 0 1 226.345 2.363 20 0 BEADMN COC1CCC(CNCc2ncc(C)o2)CC1 ZINC000638729913 352592460 /nfs/dbraw/zinc/59/24/60/352592460.db2.gz SVRSRRJYNWHCRB-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN CCCCCc1ccc(NC(=O)CN)cc1 ZINC000040810123 352604483 /nfs/dbraw/zinc/60/44/83/352604483.db2.gz LOXGNPBDRWBEHC-UHFFFAOYSA-N 0 1 220.316 2.317 20 0 BEADMN OC[C@H]1CCCN1Cc1csc(Cl)c1 ZINC000307393004 352568902 /nfs/dbraw/zinc/56/89/02/352568902.db2.gz LBKGXGGOEUHKHH-SECBINFHSA-N 0 1 231.748 2.358 20 0 BEADMN C[C@H](NCCc1cncs1)c1nccs1 ZINC000411888005 191224440 /nfs/dbraw/zinc/22/44/40/191224440.db2.gz VDCIWZBOFNKYQV-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN Cc1ccoc1CN[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608056575 352652075 /nfs/dbraw/zinc/65/20/75/352652075.db2.gz HBVMONZZKCIZAW-ZDUSSCGKSA-N 0 1 234.343 2.162 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCc1ccccc1)C(=O)[O-] ZINC000042705549 352624079 /nfs/dbraw/zinc/62/40/79/352624079.db2.gz FXNWGJCSANQWMT-LBPRGKRZSA-N 0 1 235.327 2.272 20 0 BEADMN c1cc(NC[C@@H]2C[C@H]3C[C@H]3C2)cc2[nH]nnc12 ZINC000638761467 352695152 /nfs/dbraw/zinc/69/51/52/352695152.db2.gz CDIMFSZLFPBQEA-ILWJIGKKSA-N 0 1 228.299 2.416 20 0 BEADMN c1cc(NC[C@@H]2C[C@H]3C[C@H]3C2)cc2n[nH]nc12 ZINC000638761467 352695154 /nfs/dbraw/zinc/69/51/54/352695154.db2.gz CDIMFSZLFPBQEA-ILWJIGKKSA-N 0 1 228.299 2.416 20 0 BEADMN CC[C@@](C)(CNc1ccc2nn[nH]c2c1)OC ZINC000638762270 352700475 /nfs/dbraw/zinc/70/04/75/352700475.db2.gz UJFOQMRAUYLPIS-LBPRGKRZSA-N 0 1 234.303 2.185 20 0 BEADMN CC[C@@](C)(CNc1ccc2n[nH]nc2c1)OC ZINC000638762270 352700477 /nfs/dbraw/zinc/70/04/77/352700477.db2.gz UJFOQMRAUYLPIS-LBPRGKRZSA-N 0 1 234.303 2.185 20 0 BEADMN CC[C@@H](O)CCNCc1nc2ccccc2o1 ZINC000638765003 352703999 /nfs/dbraw/zinc/70/39/99/352703999.db2.gz ZJHROXJEIXYJNI-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN COC1([C@@H](C)NCc2cscn2)CCC1 ZINC000412021977 191237822 /nfs/dbraw/zinc/23/78/22/191237822.db2.gz PSYZSUZTJUTAMC-SECBINFHSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1cn(CC2CC2)nn1 ZINC000412032384 191240774 /nfs/dbraw/zinc/24/07/74/191240774.db2.gz BOUYDNGGAFNZST-LLVKDONJSA-N 0 1 248.374 2.309 20 0 BEADMN CCN1CCN(C(=O)C2=C(C)CCC2)[C@@H](C)C1 ZINC000341775778 352724045 /nfs/dbraw/zinc/72/40/45/352724045.db2.gz JQBIPINMCSNWJQ-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)CCC(C)(C)C)[C@@H](C)C1 ZINC000341816083 352727848 /nfs/dbraw/zinc/72/78/48/352727848.db2.gz AMQKXGRLISWZAR-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000341803292 352728380 /nfs/dbraw/zinc/72/83/80/352728380.db2.gz ZMDXUWFAIORHTP-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cnc(CN2CC[C@H](C3CC3)C2)nc1 ZINC000334174524 352758683 /nfs/dbraw/zinc/75/86/83/352758683.db2.gz CAWUPFMVTHIEKX-LBPRGKRZSA-N 0 1 217.316 2.017 20 0 BEADMN c1csc(CN2CC[C@H](C3CC3)C2)n1 ZINC000334180316 352768148 /nfs/dbraw/zinc/76/81/48/352768148.db2.gz DAHVJGZCWZBDTR-JTQLQIEISA-N 0 1 208.330 2.375 20 0 BEADMN C[C@@H]1CN(C(=O)[C@H]2CCCN2C)c2ccccc21 ZINC000334216914 352817196 /nfs/dbraw/zinc/81/71/96/352817196.db2.gz RVLNQWHTPHGZPW-BXUZGUMPSA-N 0 1 244.338 2.231 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@H](C)C(C)(C)C1 ZINC000334221480 352824521 /nfs/dbraw/zinc/82/45/21/352824521.db2.gz UBCZEUKXBYXUJD-GHMZBOCLSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@H]1CC[C@@H](CN2CCOC3(CCCC3)C2)O1 ZINC000334189105 352778603 /nfs/dbraw/zinc/77/86/03/352778603.db2.gz KQGRHTZBNCFFCG-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN Cc1nccc(N(C)[C@@H]2CCC[C@H]2O)c1Cl ZINC000334194837 352786665 /nfs/dbraw/zinc/78/66/65/352786665.db2.gz JWXTXALZCDLVAA-MWLCHTKSSA-N 0 1 240.734 2.393 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C3CC3)C2)n1 ZINC000334196838 352788234 /nfs/dbraw/zinc/78/82/34/352788234.db2.gz LCFOQGVPYAQBMX-LBPRGKRZSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C(C)C)C2)s1 ZINC000334203765 352797835 /nfs/dbraw/zinc/79/78/35/352797835.db2.gz RFXVPIBIEPDAAO-SNVBAGLBSA-N 0 1 225.361 2.324 20 0 BEADMN CCc1cccc(F)c1CN1CCC(O)CC1 ZINC000334208099 352804240 /nfs/dbraw/zinc/80/42/40/352804240.db2.gz LSGQSEWTQXJSNT-UHFFFAOYSA-N 0 1 237.318 2.345 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000334209610 352806119 /nfs/dbraw/zinc/80/61/19/352806119.db2.gz NCJIWPMHEKJXGK-NXEZZACHSA-N 0 1 223.345 2.221 20 0 BEADMN CC(C)=CCNC(=O)c1ccc2cncn2c1 ZINC000334239504 352858569 /nfs/dbraw/zinc/85/85/69/352858569.db2.gz UOSNXEKAEFTTHI-UHFFFAOYSA-N 0 1 229.283 2.030 20 0 BEADMN CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000334259681 352871275 /nfs/dbraw/zinc/87/12/75/352871275.db2.gz UVFYBXXVCRMDML-CHWSQXEVSA-N 0 1 246.354 2.128 20 0 BEADMN CC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000334259681 352871279 /nfs/dbraw/zinc/87/12/79/352871279.db2.gz UVFYBXXVCRMDML-CHWSQXEVSA-N 0 1 246.354 2.128 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000334269725 352906409 /nfs/dbraw/zinc/90/64/09/352906409.db2.gz QZVCPPGUWFTTRC-GFCCVEGCSA-N 0 1 241.294 2.039 20 0 BEADMN Cc1cncc(CNCc2ccc(C)nc2)c1 ZINC000231382148 538105931 /nfs/dbraw/zinc/10/59/31/538105931.db2.gz VKVURQYTGQMCQI-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC[C@H]1CN(Cc2ccc(Cl)o2)C[C@H]1O ZINC000334293390 352930576 /nfs/dbraw/zinc/93/05/76/352930576.db2.gz QBORJAHUKRKUHL-WCBMZHEXSA-N 0 1 229.707 2.136 20 0 BEADMN CN(Cc1cncc(F)c1)[C@H]1CC1(C)C ZINC000334296501 352931417 /nfs/dbraw/zinc/93/14/17/352931417.db2.gz YZKGLQLXEVLULJ-NSHDSACASA-N 0 1 208.280 2.451 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC[C@H](C)C2)n1C ZINC000342866114 352882901 /nfs/dbraw/zinc/88/29/01/352882901.db2.gz ZAXLELNMSHSSDM-JQWIXIFHSA-N 0 1 221.348 2.349 20 0 BEADMN C(CN1CCOCC12CCCC2)OCC1CC1 ZINC000342875884 352885818 /nfs/dbraw/zinc/88/58/18/352885818.db2.gz YZKXXPJZVLTBCF-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN C[C@@H]1COCCN(Cc2cccc(F)c2)C1 ZINC000334262960 352896232 /nfs/dbraw/zinc/89/62/32/352896232.db2.gz JFKUNCDRJJESAI-NSHDSACASA-N 0 1 223.291 2.294 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@@H]2CCC[C@H]21 ZINC000334264512 352898789 /nfs/dbraw/zinc/89/87/89/352898789.db2.gz LFIYXNJBLSGZPI-GXSJLCMTSA-N 0 1 233.315 2.321 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C(C)C)s1 ZINC000334267799 352903085 /nfs/dbraw/zinc/90/30/85/352903085.db2.gz ZZVKGQJYJLKJQA-JTQLQIEISA-N 0 1 225.361 2.467 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC2(C)C)nc1 ZINC000334314830 352945985 /nfs/dbraw/zinc/94/59/85/352945985.db2.gz PXUPEXGHEPZYJQ-SNVBAGLBSA-N 0 1 219.332 2.405 20 0 BEADMN FC(F)(F)CC1CCN([C@H]2CCOC2)CC1 ZINC000334318242 352948587 /nfs/dbraw/zinc/94/85/87/352948587.db2.gz RUURSLWFJQQCOV-JTQLQIEISA-N 0 1 237.265 2.440 20 0 BEADMN O=C(c1ccn[nH]1)N1Cc2cccc(Cl)c2C1 ZINC000334354957 352991976 /nfs/dbraw/zinc/99/19/76/352991976.db2.gz AFTJLPPDRDVMSH-UHFFFAOYSA-N 0 1 247.685 2.219 20 0 BEADMN CC[C@@H](C)[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000638844266 353020516 /nfs/dbraw/zinc/02/05/16/353020516.db2.gz DUTVCXNNDCGVPY-NDBYEHHHSA-N 0 1 229.364 2.157 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)[C@H](C)C1CC1 ZINC000638853075 353024382 /nfs/dbraw/zinc/02/43/82/353024382.db2.gz JABDXBJOTHQIKA-RISCZKNCSA-N 0 1 246.354 2.252 20 0 BEADMN N[C@H](C(=O)N[C@H]1CCCC12CC2)c1ccccc1 ZINC000638830072 353009146 /nfs/dbraw/zinc/00/91/46/353009146.db2.gz BAPDDNLVSGHFMU-STQMWFEESA-N 0 1 244.338 2.135 20 0 BEADMN CCC[C@H](C[N@H+]1CCO[C@H](C(C)C)C1)OC ZINC000638910587 353074829 /nfs/dbraw/zinc/07/48/29/353074829.db2.gz ALDPSQADXYDBAS-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)N(C(=O)c1coc(CN)c1)C1CCC1 ZINC000187866732 188001542 /nfs/dbraw/zinc/00/15/42/188001542.db2.gz ZMZADOLJFMYVJF-UHFFFAOYSA-N 0 1 236.315 2.141 20 0 BEADMN CC(C)CC[C@@](C)(O)CN[C@H](C)c1ncc[nH]1 ZINC000428245954 538107863 /nfs/dbraw/zinc/10/78/63/538107863.db2.gz KUFPHUCVOLDYPO-DGCLKSJQSA-N 0 1 239.363 2.248 20 0 BEADMN COC1(CN[C@@H](C)c2ncc[nH]2)CCCCC1 ZINC000319814691 538108211 /nfs/dbraw/zinc/10/82/11/538108211.db2.gz HSEWGLUWSJAUPD-NSHDSACASA-N 0 1 237.347 2.410 20 0 BEADMN C=Cn1cc(CN[C@H](C)c2cccnc2)cn1 ZINC000194343231 188005782 /nfs/dbraw/zinc/00/57/82/188005782.db2.gz NPFPCFJQRWTASL-LLVKDONJSA-N 0 1 228.299 2.229 20 0 BEADMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(C)on1 ZINC000336684368 188011851 /nfs/dbraw/zinc/01/18/51/188011851.db2.gz FBZGNHBZBJFJMR-CHWSQXEVSA-N 0 1 238.331 2.108 20 0 BEADMN COC(=O)[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398651447 353125295 /nfs/dbraw/zinc/12/52/95/353125295.db2.gz AQPCRTMYEYUKOT-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCC1CCC1 ZINC000398651447 353125297 /nfs/dbraw/zinc/12/52/97/353125297.db2.gz AQPCRTMYEYUKOT-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)N(Cc1ccn(C(C)C)n1)C[C@@H](C)O ZINC000336702537 188012996 /nfs/dbraw/zinc/01/29/96/188012996.db2.gz AFQSIWQWEAFDCC-GFCCVEGCSA-N 0 1 239.363 2.055 20 0 BEADMN CC(C)COCCN1CCO[C@@H](C(C)(C)C)C1 ZINC000337475089 188015466 /nfs/dbraw/zinc/01/54/66/188015466.db2.gz RNAMBELYJDKNTD-CYBMUJFWSA-N 0 1 243.391 2.406 20 0 BEADMN CCc1cc(C(=O)N(C)C(C)(C)CC)n[nH]1 ZINC000265459252 188021921 /nfs/dbraw/zinc/02/19/21/188021921.db2.gz BAMHEUJKVKFVNP-UHFFFAOYSA-N 0 1 223.320 2.233 20 0 BEADMN CC(C)(O)CN1CCc2c(Cl)cccc2C1 ZINC000265840120 188022704 /nfs/dbraw/zinc/02/27/04/188022704.db2.gz WHCDDUXBWXYUAF-UHFFFAOYSA-N 0 1 239.746 2.469 20 0 BEADMN C/C=C(\C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270765250 188025473 /nfs/dbraw/zinc/02/54/73/188025473.db2.gz PQJIRGFECGHTPQ-BNICOGTQSA-N 0 1 236.319 2.072 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000280499122 188031227 /nfs/dbraw/zinc/03/12/27/188031227.db2.gz KUTHNVZWTFOFDY-SNVBAGLBSA-N 0 1 235.331 2.308 20 0 BEADMN CC(C)Cn1ccnc1NCc1cccn1C ZINC000281061475 188032395 /nfs/dbraw/zinc/03/23/95/188032395.db2.gz RWFSMURXQPXOJB-UHFFFAOYSA-N 0 1 232.331 2.490 20 0 BEADMN CC(C)(C)c1n[nH]c(SCC(=O)C(F)F)n1 ZINC000282691317 188033541 /nfs/dbraw/zinc/03/35/41/188033541.db2.gz XCPDQFCXSDTPFR-UHFFFAOYSA-N 0 1 249.286 2.029 20 0 BEADMN CC(C)(C)c1nc(SCC(=O)C(F)F)n[nH]1 ZINC000282691317 188033542 /nfs/dbraw/zinc/03/35/42/188033542.db2.gz XCPDQFCXSDTPFR-UHFFFAOYSA-N 0 1 249.286 2.029 20 0 BEADMN COc1ccncc1CN1CCCC[C@@H]1C ZINC000287345337 188035426 /nfs/dbraw/zinc/03/54/26/188035426.db2.gz OVZPVNQHFKPHOB-NSHDSACASA-N 0 1 220.316 2.465 20 0 BEADMN CC(C)[C@H](O)CN(C)Cc1ccc(F)cc1F ZINC000292788708 188037604 /nfs/dbraw/zinc/03/76/04/188037604.db2.gz ZRTIYEBDWZIAKI-CYBMUJFWSA-N 0 1 243.297 2.414 20 0 BEADMN COc1ccc(CN2CC[C@@H](SC)C2)cn1 ZINC000295051702 188038022 /nfs/dbraw/zinc/03/80/22/188038022.db2.gz NMYJRHSNOILGRT-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000299496065 188042341 /nfs/dbraw/zinc/04/23/41/188042341.db2.gz LJSWGCGMXFZXFC-LBPRGKRZSA-N 0 1 243.310 2.020 20 0 BEADMN C=Cn1cc(CN2CC=C(C)CC2)cn1 ZINC000336252611 188053890 /nfs/dbraw/zinc/05/38/90/188053890.db2.gz BSEARXVQQLTIJB-UHFFFAOYSA-N 0 1 203.289 2.136 20 0 BEADMN CC(C)c1ncc(CN2CC[C@@](C)(O)C2)s1 ZINC000336432419 188056385 /nfs/dbraw/zinc/05/63/85/188056385.db2.gz JHYTYKPJVUSWSC-GFCCVEGCSA-N 0 1 240.372 2.223 20 0 BEADMN CC(C)[C@@H]1N(Cc2cc[nH]n2)CC12CCC2 ZINC000336599642 188058680 /nfs/dbraw/zinc/05/86/80/188058680.db2.gz UVRFUIFNDHHHRK-LBPRGKRZSA-N 0 1 219.332 2.420 20 0 BEADMN CCCN(CCC1CCC1)CC(=O)OCC ZINC000398828941 353145654 /nfs/dbraw/zinc/14/56/54/353145654.db2.gz PDAFTIAVUMBVCQ-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCCCO2)o1 ZINC000638972897 353178132 /nfs/dbraw/zinc/17/81/32/353178132.db2.gz UPQVOFRWIQXZKP-NSHDSACASA-N 0 1 224.304 2.032 20 0 BEADMN C[N@@H+]1CC=C(CNC(=O)CCC(C)(C)C)CC1 ZINC000343252333 353195151 /nfs/dbraw/zinc/19/51/51/353195151.db2.gz JINHTTLFOHOYAZ-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN C[C@@H](O)C[C@@H](C)NCc1nc2ccccc2o1 ZINC000638981876 353196010 /nfs/dbraw/zinc/19/60/10/353196010.db2.gz XZRQMEMIMPMVRW-NXEZZACHSA-N 0 1 234.299 2.077 20 0 BEADMN FC(F)C[C@@H]1COCCN1CC1CCC1 ZINC000353267651 180903643 /nfs/dbraw/zinc/90/36/43/180903643.db2.gz NEOCQZFSMKPSBJ-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccco1 ZINC000250101699 353267707 /nfs/dbraw/zinc/26/77/07/353267707.db2.gz XPUASFFGYIQARY-UHTWSYAYSA-N 0 1 249.310 2.497 20 0 BEADMN CCOC(=O)c1coc(CN[C@H]2CC2(C)C)c1 ZINC000354157322 188235356 /nfs/dbraw/zinc/23/53/56/188235356.db2.gz HFFNCNJHGMSFMW-NSHDSACASA-N 0 1 237.299 2.344 20 0 BEADMN Cc1ccc(NC(=O)c2ncccc2O)cc1F ZINC000037760583 358477548 /nfs/dbraw/zinc/47/75/48/358477548.db2.gz DJFFPAXGOHJYTE-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)(C)n1ncnc1CN1CCC[C@@H]1C1CC1 ZINC000374869888 188250934 /nfs/dbraw/zinc/25/09/34/188250934.db2.gz VJRIWWUETSEJQW-GFCCVEGCSA-N 0 1 248.374 2.408 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1O ZINC000270887886 188262700 /nfs/dbraw/zinc/26/27/00/188262700.db2.gz KXQFYSWGOSMSMA-SKDRFNHKSA-N 0 1 241.281 2.168 20 0 BEADMN COC1(CNCc2cscn2)CCCC1 ZINC000276937012 188267088 /nfs/dbraw/zinc/26/70/88/188267088.db2.gz FNPLNQKVHNTJAO-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN CC(=O)CN1CCC(c2ccccc2)CC1 ZINC000079065667 188291329 /nfs/dbraw/zinc/29/13/29/188291329.db2.gz YJEUOXZBSVNTGT-UHFFFAOYSA-N 0 1 217.312 2.455 20 0 BEADMN CC(C)(C)c1noc(C2(N)CCCCC2)n1 ZINC000041032804 188292850 /nfs/dbraw/zinc/29/28/50/188292850.db2.gz ISIKNKDYUFIGHY-UHFFFAOYSA-N 0 1 223.320 2.485 20 0 BEADMN CC(C)OCCNCc1cc(C2CC2)no1 ZINC000639045467 353334118 /nfs/dbraw/zinc/33/41/18/353334118.db2.gz XTABTZPLPCKVTC-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN C[C@H](c1cccnc1)N(C)Cc1ccc(=O)[nH]c1 ZINC000639040077 353321387 /nfs/dbraw/zinc/32/13/87/353321387.db2.gz ALPNDDOTALAGQS-LLVKDONJSA-N 0 1 243.310 2.375 20 0 BEADMN C/C(=C\c1ccccc1)C[N@@H+](C)CCO ZINC000127921006 188316493 /nfs/dbraw/zinc/31/64/93/188316493.db2.gz SQWZYAFVIRDUDL-ZRDIBKRKSA-N 0 1 205.301 2.014 20 0 BEADMN CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000172410151 188339968 /nfs/dbraw/zinc/33/99/68/188339968.db2.gz HVCMANLIIFMFBB-CYBMUJFWSA-N 0 1 248.370 2.374 20 0 BEADMN CC[N@H+]1CCC[C@H]1CNc1ncncc1Cl ZINC000163578910 353356092 /nfs/dbraw/zinc/35/60/92/353356092.db2.gz LFHZGQGTCAPNQR-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN CCN1CCC[C@H]1CNc1ncncc1Cl ZINC000163578910 353356094 /nfs/dbraw/zinc/35/60/94/353356094.db2.gz LFHZGQGTCAPNQR-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1nc2ccccc2o1 ZINC000639056498 353361711 /nfs/dbraw/zinc/36/17/11/353361711.db2.gz NOTMIQUUONKYNI-QUCGXOGASA-N 0 1 246.310 2.245 20 0 BEADMN c1cn(C2CCCC2)nc1CN[C@@H]1CCCOC1 ZINC000085174524 538115857 /nfs/dbraw/zinc/11/58/57/538115857.db2.gz AEKQRHCBWGRGBK-CYBMUJFWSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000639049800 353345274 /nfs/dbraw/zinc/34/52/74/353345274.db2.gz BBCAUTVKSTZFGX-NWDGAFQWSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000639049802 353345283 /nfs/dbraw/zinc/34/52/83/353345283.db2.gz BBCAUTVKSTZFGX-VXGBXAGGSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)CO[C@H]1CCN(Cc2ccncc2)C1 ZINC000156925883 188334071 /nfs/dbraw/zinc/33/40/71/188334071.db2.gz SFVLUHCPKZVUKA-AWEZNQCLSA-N 0 1 234.343 2.329 20 0 BEADMN CC(C)[C@H](CC(F)(F)F)NCc1ncc[nH]1 ZINC000336650154 188339370 /nfs/dbraw/zinc/33/93/70/188339370.db2.gz DOUPOHWUMGIUGQ-QMMMGPOBSA-N 0 1 235.253 2.476 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H]2CCCC[C@H]2C)[nH]n1 ZINC000176060633 188341288 /nfs/dbraw/zinc/34/12/88/188341288.db2.gz HVBQPMUTFCKPSQ-PWSUYJOCSA-N 0 1 249.358 2.203 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000336706823 188342794 /nfs/dbraw/zinc/34/27/94/188342794.db2.gz MZLRGXGFJSPKDB-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN CCCc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000186873652 188347481 /nfs/dbraw/zinc/34/74/81/188347481.db2.gz JMXGPZGYEYZSLR-CQSZACIVSA-N 0 1 219.328 2.206 20 0 BEADMN C/C=C(\CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000188999255 188349169 /nfs/dbraw/zinc/34/91/69/188349169.db2.gz MRIHRSIOXQYATF-FPYGCLRLSA-N 0 1 230.271 2.253 20 0 BEADMN COc1ncccc1CNCC=C(C)C ZINC000192284569 188351337 /nfs/dbraw/zinc/35/13/37/188351337.db2.gz QLTYUXRAKVYKDR-UHFFFAOYSA-N 0 1 206.289 2.146 20 0 BEADMN Cc1ccnc(CN2C[C@@H](C)C[C@H]2C)n1 ZINC000334508550 353384650 /nfs/dbraw/zinc/38/46/50/353384650.db2.gz QDQZETAYSDZPDN-GXSJLCMTSA-N 0 1 205.305 2.015 20 0 BEADMN CC(C)Cc1nsc(NC[C@H]2C[C@@H]2C)n1 ZINC000336770721 188353285 /nfs/dbraw/zinc/35/32/85/188353285.db2.gz WWTANMMQYKJKHU-DTWKUNHWSA-N 0 1 225.361 2.226 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C1CC=CC1 ZINC000268753181 188373692 /nfs/dbraw/zinc/37/36/92/188373692.db2.gz WCHGJBZHHYJDQH-UHFFFAOYSA-N 0 1 245.204 2.333 20 0 BEADMN Cc1c(C[N@@H+]2CCS[C@H](C)[C@H]2C)cnn1C ZINC000269015732 188373932 /nfs/dbraw/zinc/37/39/32/188373932.db2.gz OAPMBEMHBMRBHH-MWLCHTKSSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1c(CN2CCS[C@H](C)[C@H]2C)cnn1C ZINC000269015732 188373933 /nfs/dbraw/zinc/37/39/33/188373933.db2.gz OAPMBEMHBMRBHH-MWLCHTKSSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc3nc[nH]c3c2)CCCO1 ZINC000267963670 188374483 /nfs/dbraw/zinc/37/44/83/188374483.db2.gz MNYKEYZGHILLKN-ZDUSSCGKSA-N 0 1 245.282 2.071 20 0 BEADMN CCC[C@@H](CN1CCc2ncsc2C1)OC ZINC000639086199 353426300 /nfs/dbraw/zinc/42/63/00/353426300.db2.gz PNCCAITWSXDRJM-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CCC[C@H](CN1CCc2ncsc2C1)OC ZINC000639086200 353426460 /nfs/dbraw/zinc/42/64/60/353426460.db2.gz PNCCAITWSXDRJM-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000337455350 188362646 /nfs/dbraw/zinc/36/26/46/188362646.db2.gz JOXDDOIOMLTFCS-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN c1nn[n-]c1C[NH2+][C@H]1CCCC12CCCC2 ZINC000398346372 363223606 /nfs/dbraw/zinc/22/36/06/363223606.db2.gz MXMMBDZLONCDJL-NSHDSACASA-N 0 1 220.320 2.007 20 0 BEADMN COc1ccc(CN2C[C@H](C)CC(C)(C)C2)nn1 ZINC000338287046 188364960 /nfs/dbraw/zinc/36/49/60/188364960.db2.gz DNDVXJWMTBFDBA-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC1(c2ccccc2)CC1 ZINC000263789441 188370349 /nfs/dbraw/zinc/37/03/49/188370349.db2.gz JLRMIRPTMCSTAW-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CCc1ncc(C[N@@H+](C)C[C@H]2CCCO2)s1 ZINC000264544512 188370823 /nfs/dbraw/zinc/37/08/23/188370823.db2.gz TVOVXLPZOKXFTM-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CCc1ncc(CN(C)C[C@H]2CCCO2)s1 ZINC000264544512 188370825 /nfs/dbraw/zinc/37/08/25/188370825.db2.gz TVOVXLPZOKXFTM-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN Cc1nn(C(C)C)cc1CNCc1ccn(C)c1 ZINC000281213460 188383147 /nfs/dbraw/zinc/38/31/47/188383147.db2.gz CNSHWQQKNNFPQA-UHFFFAOYSA-N 0 1 246.358 2.401 20 0 BEADMN CC(C)(C)[C@H](O)CNC(C)(C)c1nccs1 ZINC000284206682 188385383 /nfs/dbraw/zinc/38/53/83/188385383.db2.gz ZBLXEFGBPKLKIY-SECBINFHSA-N 0 1 242.388 2.375 20 0 BEADMN COc1ccncc1CN1CCCC2(CC2)C1 ZINC000287933165 188387762 /nfs/dbraw/zinc/38/77/62/188387762.db2.gz WXLVBAJTUBSJBQ-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CC[C@@]1(CO)CCCN(Cc2ccns2)C1 ZINC000639088177 353439203 /nfs/dbraw/zinc/43/92/03/353439203.db2.gz HONNPISOBHONFM-GFCCVEGCSA-N 0 1 240.372 2.128 20 0 BEADMN CC[C@]1(CO)CCCN(Cc2ccns2)C1 ZINC000639088178 353439347 /nfs/dbraw/zinc/43/93/47/353439347.db2.gz HONNPISOBHONFM-LBPRGKRZSA-N 0 1 240.372 2.128 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)CC(C)C ZINC000296508665 188394841 /nfs/dbraw/zinc/39/48/41/188394841.db2.gz RJGMVHQCBRVQEN-CYBMUJFWSA-N 0 1 234.343 2.109 20 0 BEADMN Cc1cnc(C[N@H+](C)C(C2CC2)C2CC2)nc1 ZINC000340675419 188396978 /nfs/dbraw/zinc/39/69/78/188396978.db2.gz GPNOMILWPWEEKX-UHFFFAOYSA-N 0 1 231.343 2.405 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000639090069 353458088 /nfs/dbraw/zinc/45/80/88/353458088.db2.gz DYVPKIKXLCQWGU-DTWKUNHWSA-N 0 1 224.304 2.065 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000639090070 353458438 /nfs/dbraw/zinc/45/84/38/353458438.db2.gz DYVPKIKXLCQWGU-IUCAKERBSA-N 0 1 224.304 2.065 20 0 BEADMN CC[C@](C)(O)CN[C@H]1CCCc2scnc21 ZINC000623889719 353518056 /nfs/dbraw/zinc/51/80/56/353518056.db2.gz UQIPNDUDLORBOQ-CABZTGNLSA-N 0 1 240.372 2.271 20 0 BEADMN CCc1ccc(CN2CC3(C2)CCCOC3)o1 ZINC000334512166 353526403 /nfs/dbraw/zinc/52/64/03/353526403.db2.gz VQLJTDPXIPYBFS-UHFFFAOYSA-N 0 1 235.327 2.454 20 0 BEADMN c1cnc(CN2CCC[C@H]3CCC[C@@H]32)nc1 ZINC000192042002 353534087 /nfs/dbraw/zinc/53/40/87/353534087.db2.gz JWBYDEDWHPHJGH-NEPJUHHUSA-N 0 1 217.316 2.241 20 0 BEADMN Cn1nccc1CN1CC(C2CCCCC2)C1 ZINC000334512410 353539927 /nfs/dbraw/zinc/53/99/27/353539927.db2.gz UEEVGVATOUBNDZ-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN CC1(C)CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000061821004 353540929 /nfs/dbraw/zinc/54/09/29/353540929.db2.gz KUUQOKQLGAULHP-CYBMUJFWSA-N 0 1 246.354 2.335 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H]1c1cccc(F)c1 ZINC000608215420 353636485 /nfs/dbraw/zinc/63/64/85/353636485.db2.gz YUURZSMEACTVOH-GFCCVEGCSA-N 0 1 245.257 2.136 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H]1c1cccc(F)c1 ZINC000608216886 353637356 /nfs/dbraw/zinc/63/73/56/353637356.db2.gz WOBOMYQXWVAORE-LBPRGKRZSA-N 0 1 245.257 2.136 20 0 BEADMN Cc1ncc(CN2CC(C3CCCC3)C2)cn1 ZINC000334518408 353653439 /nfs/dbraw/zinc/65/34/39/353653439.db2.gz RERGRYYAMGSTIK-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN CC(=O)c1cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)on1 ZINC000577861944 366090194 /nfs/dbraw/zinc/09/01/94/366090194.db2.gz RPAIOEKGNPFNNP-IVZWLZJFSA-N 0 1 236.315 2.354 20 0 BEADMN CCN(CC(=O)N1CCCC(C)(C)C1)C1CC1 ZINC000152541707 324180681 /nfs/dbraw/zinc/18/06/81/324180681.db2.gz PMPZGMIBBMHTDP-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc2oc(N3CCN(C)C[C@@H]3C)nc2c1 ZINC000334515808 353612360 /nfs/dbraw/zinc/61/23/60/353612360.db2.gz HLHDMNRJHFNHSV-NSHDSACASA-N 0 1 245.326 2.277 20 0 BEADMN CCC[C@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CC1(C)C ZINC000398423918 363237372 /nfs/dbraw/zinc/23/73/72/363237372.db2.gz WMMNNFCDZHXJDN-QWRGUYRKSA-N 0 1 222.336 2.109 20 0 BEADMN CC[N@@H+](CC(=O)N1CCC[C@@H]1C(C)C)C1CC1 ZINC000343317813 353662187 /nfs/dbraw/zinc/66/21/87/353662187.db2.gz GVBWUSKIXMPLQS-CYBMUJFWSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(=O)N1CCC[C@@H]1C(C)C)C1CC1 ZINC000343317813 353662190 /nfs/dbraw/zinc/66/21/90/353662190.db2.gz GVBWUSKIXMPLQS-CYBMUJFWSA-N 0 1 238.375 2.118 20 0 BEADMN Fc1cccc(CCNCc2cocn2)c1 ZINC000192281693 180995579 /nfs/dbraw/zinc/99/55/79/180995579.db2.gz XNUDSZZHHGPXIS-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN NC1(c2noc(CC3CCC3)n2)CCCC1 ZINC000232170646 353699376 /nfs/dbraw/zinc/69/93/76/353699376.db2.gz VNOXKNHRQKGPGZ-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN Fc1cccc2c1CCN(Cc1cnc[nH]1)C2 ZINC000280242288 181005578 /nfs/dbraw/zinc/00/55/78/181005578.db2.gz NNLYWCROKVPRPU-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN CCn1nccc1CN(C[C@H](C)OC)C(C)C ZINC000353809280 353717648 /nfs/dbraw/zinc/71/76/48/353717648.db2.gz MRCIIVXUCMCBSV-LBPRGKRZSA-N 0 1 239.363 2.148 20 0 BEADMN CCn1nccc1CN(C[C@@H](C)OC)C(C)C ZINC000353809278 353718082 /nfs/dbraw/zinc/71/80/82/353718082.db2.gz MRCIIVXUCMCBSV-GFCCVEGCSA-N 0 1 239.363 2.148 20 0 BEADMN COCCO[C@@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528420742 324219226 /nfs/dbraw/zinc/21/92/26/324219226.db2.gz BBWIHVMKCDRARY-JXDHDYMSSA-N 0 1 247.766 2.256 20 0 BEADMN CC(C)(NCCC[C@H]1CCO1)C(F)F ZINC000639120232 353767755 /nfs/dbraw/zinc/76/77/55/353767755.db2.gz PGNCZBMIYFMKIO-QMMMGPOBSA-N 0 1 207.264 2.189 20 0 BEADMN CC(C)(NCCC[C@@H]1CCO1)C(F)F ZINC000639120231 353767886 /nfs/dbraw/zinc/76/78/86/353767886.db2.gz PGNCZBMIYFMKIO-MRVPVSSYSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000083854702 353800254 /nfs/dbraw/zinc/80/02/54/353800254.db2.gz DQPPNAGQFRBZNV-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CCC(C)(C)CC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000343356716 353871574 /nfs/dbraw/zinc/87/15/74/353871574.db2.gz YIDZPQKYDCJCHF-QMMMGPOBSA-N 0 1 238.335 2.117 20 0 BEADMN c1coc(CN[C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343400366 353877700 /nfs/dbraw/zinc/87/77/00/353877700.db2.gz ZQITXMVJEYUYSN-ZIAGYGMSSA-N 0 1 244.294 2.294 20 0 BEADMN OC1(CCNCc2nc3ccccc3o2)CCC1 ZINC000639149457 353853212 /nfs/dbraw/zinc/85/32/12/353853212.db2.gz PIRMCFYWFNFXIA-UHFFFAOYSA-N 0 1 246.310 2.223 20 0 BEADMN COCC1(N[C@@H](c2nccn2C)C2CC2)CCC1 ZINC000639149775 353853231 /nfs/dbraw/zinc/85/32/31/353853231.db2.gz OQOJOHYKCBCARE-GFCCVEGCSA-N 0 1 249.358 2.030 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229212320 363273911 /nfs/dbraw/zinc/27/39/11/363273911.db2.gz NZTULVMCKOZMFE-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@H]2C)c1 ZINC000334536526 353922731 /nfs/dbraw/zinc/92/27/31/353922731.db2.gz CBHZXHXJICJPBD-NXEZZACHSA-N 0 1 243.310 2.494 20 0 BEADMN Fc1ccc(SCc2c[nH]nn2)cc1F ZINC000334538868 353926113 /nfs/dbraw/zinc/92/61/13/353926113.db2.gz DDUIZIVBBUEQIN-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CCN(CC1CC1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343602440 353930899 /nfs/dbraw/zinc/93/08/99/353930899.db2.gz RKFGCDXOJLZURP-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN COC[C@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343564405 353936236 /nfs/dbraw/zinc/93/62/36/353936236.db2.gz HHEPMLXFHGJLHR-NSHDSACASA-N 0 1 239.363 2.239 20 0 BEADMN C[C@H](C1CCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC000343588548 353941017 /nfs/dbraw/zinc/94/10/17/353941017.db2.gz TUKHURFNOYNJCX-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1cnccn1 ZINC000334543059 353978236 /nfs/dbraw/zinc/97/82/36/353978236.db2.gz MJTPLJIJVWUTJE-GFCCVEGCSA-N 0 1 205.305 2.097 20 0 BEADMN OC[C@@H]1CSCC[N@H+]1C/C=C\c1ccccc1 ZINC000343727192 353959991 /nfs/dbraw/zinc/95/99/91/353959991.db2.gz HZACQPZDAPPTME-HJHHMULASA-N 0 1 249.379 2.110 20 0 BEADMN OC[C@@H]1CSCCN1C/C=C\c1ccccc1 ZINC000343727192 353959994 /nfs/dbraw/zinc/95/99/94/353959994.db2.gz HZACQPZDAPPTME-HJHHMULASA-N 0 1 249.379 2.110 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCc2c1cccc2O ZINC000038011360 358482243 /nfs/dbraw/zinc/48/22/43/358482243.db2.gz BBPKRRKMNRHDGH-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1C ZINC000334564073 354081657 /nfs/dbraw/zinc/08/16/57/354081657.db2.gz SIQMCUASDVTEAW-AOOOYVTPSA-N 0 1 227.739 2.124 20 0 BEADMN CNC(=O)[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230408327 363308899 /nfs/dbraw/zinc/30/88/99/363308899.db2.gz FLUTZWJBNOIZTI-RNFRBKRXSA-N 0 1 246.763 2.187 20 0 BEADMN CCc1nnc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000344068177 354131618 /nfs/dbraw/zinc/13/16/18/354131618.db2.gz QBRZKHLHFORDRO-LLVKDONJSA-N 0 1 235.331 2.420 20 0 BEADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cnccn1 ZINC000334560789 354113231 /nfs/dbraw/zinc/11/32/31/354113231.db2.gz FYMRUYPZKILSEQ-IAQYHMDHSA-N 0 1 239.322 2.500 20 0 BEADMN CC[C@H](COC)NCc1cnc(C2CC2)o1 ZINC000449709255 202007333 /nfs/dbraw/zinc/00/73/33/202007333.db2.gz YMXSBUDEPWHJHW-SNVBAGLBSA-N 0 1 224.304 2.067 20 0 BEADMN CCC[C@@H](C)CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000344253583 354190764 /nfs/dbraw/zinc/19/07/64/354190764.db2.gz RWIQUJJWPBWJDT-MNOVXSKESA-N 0 1 249.358 2.210 20 0 BEADMN Cc1ncc([C@H](C)N(C)[C@H]2CCCOC2)c(C)n1 ZINC000639175565 354197229 /nfs/dbraw/zinc/19/72/29/354197229.db2.gz YWWVDNLOEVBOGI-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN CO[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000231678304 363347784 /nfs/dbraw/zinc/34/77/84/363347784.db2.gz OTLNTUORHRGZDH-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN OC[C@H](NCc1ccncc1)c1ccc(F)cc1 ZINC000344375067 354255528 /nfs/dbraw/zinc/25/55/28/354255528.db2.gz IYDWFBGJOQAOCL-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN CCCN(CC)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623181180 354264344 /nfs/dbraw/zinc/26/43/44/354264344.db2.gz QFWUZFFIPFIPBR-PWSUYJOCSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cc(CNc2cc3c(cn2)CCC3)n(C)n1 ZINC000334596204 354229148 /nfs/dbraw/zinc/22/91/48/354229148.db2.gz GCYHUOIEUXSFMI-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)nn2C)CCS1 ZINC000334610856 354293799 /nfs/dbraw/zinc/29/37/99/354293799.db2.gz JKFZCZGGCMHXNA-GFCCVEGCSA-N 0 1 239.388 2.056 20 0 BEADMN COc1ccc(CN2CC(C)=C[C@@H](C)C2)nc1 ZINC000334613863 354299010 /nfs/dbraw/zinc/29/90/10/354299010.db2.gz YRBDUABQSSNHDG-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN CCN(Cc1cscn1)C[C@H]1CCOC1 ZINC000613463064 363370493 /nfs/dbraw/zinc/37/04/93/363370493.db2.gz KILVQOQOOABWJN-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN COC1CC(N[C@@H](C)c2ncccc2F)C1 ZINC000529688059 324376702 /nfs/dbraw/zinc/37/67/02/324376702.db2.gz HBPQTZAMLZURQR-IDKOKCKLSA-N 0 1 224.279 2.049 20 0 BEADMN CCCC[C@@H](COC)NCc1nccn1CC ZINC000344442754 354274397 /nfs/dbraw/zinc/27/43/97/354274397.db2.gz RSCKUJNILDNLJX-LBPRGKRZSA-N 0 1 239.363 2.198 20 0 BEADMN CC[C@H](NCc1ccnn1C)c1ccncc1 ZINC000344524611 354278793 /nfs/dbraw/zinc/27/87/93/354278793.db2.gz BRSSKWCGGLFKIT-ZDUSSCGKSA-N 0 1 230.315 2.056 20 0 BEADMN C[C@@H](CF)N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639182943 354340084 /nfs/dbraw/zinc/34/00/84/354340084.db2.gz NEHSKYUDDPOYJI-GXSJLCMTSA-N 0 1 240.326 2.374 20 0 BEADMN COc1cccc(C)c1CN[C@@H](C)CF ZINC000639182898 354340313 /nfs/dbraw/zinc/34/03/13/354340313.db2.gz MBGVBRCLBBNQCI-JTQLQIEISA-N 0 1 211.280 2.451 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334632769 354376384 /nfs/dbraw/zinc/37/63/84/354376384.db2.gz SNKZSPDCHCDUSB-DTWKUNHWSA-N 0 1 233.315 2.158 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H](C)c1nc(C)no1 ZINC000578033367 366198307 /nfs/dbraw/zinc/19/83/07/366198307.db2.gz PWAYOEMTIGFZBV-BDAKNGLRSA-N 0 1 211.309 2.417 20 0 BEADMN Cn1ncc2c1CCCN([C@H]1C=CCCC1)C2 ZINC000334647287 354437952 /nfs/dbraw/zinc/43/79/52/354437952.db2.gz QHZZEHGWWJZURO-ZDUSSCGKSA-N 0 1 231.343 2.277 20 0 BEADMN CC(C)[C@H]1N(Cc2cnccn2)CC12CCC2 ZINC000334644133 354401472 /nfs/dbraw/zinc/40/14/72/354401472.db2.gz BNGOIROWPGNXLN-CYBMUJFWSA-N 0 1 231.343 2.487 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1C(C)(C)C1(C)C ZINC000578023699 366189561 /nfs/dbraw/zinc/18/95/61/366189561.db2.gz AQSXOUVYVBAHEV-SECBINFHSA-N 0 1 249.358 2.139 20 0 BEADMN Cc1ccc(CN2CC(C)(CO)C2)cc1C ZINC000334648359 354439463 /nfs/dbraw/zinc/43/94/63/354439463.db2.gz UJALYYSTDPWIRI-UHFFFAOYSA-N 0 1 219.328 2.118 20 0 BEADMN C[C@H]1CN(Cc2cnns2)CC(C)(C)C1 ZINC000334675120 354418261 /nfs/dbraw/zinc/41/82/61/354418261.db2.gz GLXVAJIJFVWBAE-SECBINFHSA-N 0 1 225.361 2.406 20 0 BEADMN c1ncc(CN2CCSC[C@H]2C2CC2)s1 ZINC000334679917 354425861 /nfs/dbraw/zinc/42/58/61/354425861.db2.gz WSQFVPLPZWNCAC-NSHDSACASA-N 0 1 240.397 2.471 20 0 BEADMN Cc1ncccc1CNc1ccc2c(n1)CCC2 ZINC000334656489 354450515 /nfs/dbraw/zinc/45/05/15/354450515.db2.gz YXDSCTLYTGLTGJ-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN Cc1nccc(N2CCO[C@H](CF)C2)c1Cl ZINC000334658591 354454311 /nfs/dbraw/zinc/45/43/11/354454311.db2.gz IYHQSINCQRZHHZ-SECBINFHSA-N 0 1 244.697 2.218 20 0 BEADMN CC(C)[C@H]1CN(C(=O)CC(C)(C)C)CCN1C ZINC000334658369 354454351 /nfs/dbraw/zinc/45/43/51/354454351.db2.gz CKVKQCCRNKYITG-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nc(CN2CC[C@@H](O)C2(C)C)c(C)s1 ZINC000334664123 354465086 /nfs/dbraw/zinc/46/50/86/354465086.db2.gz UOLNHWSJRDBXLL-LLVKDONJSA-N 0 1 240.372 2.105 20 0 BEADMN CC(C)[C@H]1N(Cc2cnnn2C)CC12CCCC2 ZINC000334746268 354470613 /nfs/dbraw/zinc/47/06/13/354470613.db2.gz DDSONXRAUYOEKR-CYBMUJFWSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000334749818 354474804 /nfs/dbraw/zinc/47/48/04/354474804.db2.gz XRJWFTBSMJOVNC-MGCOHNPYSA-N 0 1 247.342 2.207 20 0 BEADMN c1cc(CN2CCSC3(CCC3)CC2)n[nH]1 ZINC000334732538 354532118 /nfs/dbraw/zinc/53/21/18/354532118.db2.gz IHIJOIWBZYZLTG-UHFFFAOYSA-N 0 1 237.372 2.271 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000334738436 354541422 /nfs/dbraw/zinc/54/14/22/354541422.db2.gz LMBOFUVYLIGWMX-RNCFNFMXSA-N 0 1 238.331 2.148 20 0 BEADMN C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000334700090 354492859 /nfs/dbraw/zinc/49/28/59/354492859.db2.gz URLPNFDWZXXGIN-ZYHUDNBSSA-N 0 1 221.300 2.187 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C(N)=O)C1 ZINC000334707206 354500564 /nfs/dbraw/zinc/50/05/64/354500564.db2.gz CCGVORURDGBETK-MWLCHTKSSA-N 0 1 210.321 2.422 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C(C)C)C2)o1 ZINC000334707580 354501840 /nfs/dbraw/zinc/50/18/40/354501840.db2.gz FXJOFTHQEIHQJP-GXSJLCMTSA-N 0 1 223.320 2.417 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@H]2CCC[C@H]21 ZINC000334709035 354504112 /nfs/dbraw/zinc/50/41/12/354504112.db2.gz WQKUEJTXAMPQMY-BXKDBHETSA-N 0 1 245.326 2.302 20 0 BEADMN c1cc(-c2ccc(CN3CCSCC3)o2)n[nH]1 ZINC000334710107 354506099 /nfs/dbraw/zinc/50/60/99/354506099.db2.gz MRRURVSNWKGUCG-UHFFFAOYSA-N 0 1 249.339 2.219 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2C[C@@]2(C)C(C)C)c1C ZINC000334715326 354513324 /nfs/dbraw/zinc/51/33/24/354513324.db2.gz HLWADPIFJUPNCG-GWCFXTLKSA-N 0 1 235.331 2.191 20 0 BEADMN C[C@H]1C[C@H](C)N1CCn1cc(Cl)cn1 ZINC000334722511 354522403 /nfs/dbraw/zinc/52/24/03/354522403.db2.gz UBKICJJRAVJNAJ-IUCAKERBSA-N 0 1 213.712 2.019 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000334798929 354553814 /nfs/dbraw/zinc/55/38/14/354553814.db2.gz DOGCUUNMKIVOGM-GFCCVEGCSA-N 0 1 244.294 2.466 20 0 BEADMN Cc1nc([C@@H](C)N2CC[C@@H](C)C(F)(F)C2)n[nH]1 ZINC000334810878 354568290 /nfs/dbraw/zinc/56/82/90/354568290.db2.gz AXXCXCRSXCEUJW-HTQZYQBOSA-N 0 1 244.289 2.151 20 0 BEADMN CCN(Cc1cnc(OC)s1)C[C@@H](C)OC ZINC000639196269 354597853 /nfs/dbraw/zinc/59/78/53/354597853.db2.gz JCMZFGUJDMALOZ-SECBINFHSA-N 0 1 244.360 2.009 20 0 BEADMN CCN(Cc1cc(C)ns1)C[C@H](C)OC ZINC000639196800 354598878 /nfs/dbraw/zinc/59/88/78/354598878.db2.gz MOIBYCPBNJHVBI-JTQLQIEISA-N 0 1 228.361 2.308 20 0 BEADMN CCN([C@@H](C)c1cnc(C)nc1C)[C@@H]1CCOC1 ZINC000639198112 354599320 /nfs/dbraw/zinc/59/93/20/354599320.db2.gz ODBKGMATSLWZPE-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H]1C(C)C ZINC000334743822 354547421 /nfs/dbraw/zinc/54/74/21/354547421.db2.gz NVJQGNWJYYRKCI-CMPLNLGQSA-N 0 1 235.331 2.162 20 0 BEADMN OC1([C@H]2CCCCN2Cc2nccs2)CC1 ZINC000334795493 354549272 /nfs/dbraw/zinc/54/92/72/354549272.db2.gz WJPWUQNTCUSGSJ-SNVBAGLBSA-N 0 1 238.356 2.023 20 0 BEADMN CC(C)(C)C1CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000335095334 354634476 /nfs/dbraw/zinc/63/44/76/354634476.db2.gz HUBGMWLAMPSSCE-UHFFFAOYSA-N 0 1 247.342 2.405 20 0 BEADMN Cc1cc(C)cc(NC(=O)N2CCNC[C@H]2C)c1 ZINC000335107261 354692883 /nfs/dbraw/zinc/69/28/83/354692883.db2.gz BTUWMWKOFDUJON-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc(F)c(F)c2O)C[C@H]1F ZINC000335114899 354703802 /nfs/dbraw/zinc/70/38/02/354703802.db2.gz INOPZGLEBWJVBJ-RDDDGLTNSA-N 0 1 245.200 2.357 20 0 BEADMN Cc1ncsc1CCN1CCOC(C)(C)C1 ZINC000074349470 354674571 /nfs/dbraw/zinc/67/45/71/354674571.db2.gz BGMGZPOUOCSAQU-UHFFFAOYSA-N 0 1 240.372 2.105 20 0 BEADMN CO[C@H](CNc1cc2c(cn1)CCC2)C1CC1 ZINC000639211677 354761786 /nfs/dbraw/zinc/76/17/86/354761786.db2.gz QNPJCVURBZECAR-CYBMUJFWSA-N 0 1 232.327 2.407 20 0 BEADMN CO[C@@H](CNc1cc2c(cn1)CCC2)C1CC1 ZINC000639211678 354761928 /nfs/dbraw/zinc/76/19/28/354761928.db2.gz QNPJCVURBZECAR-ZDUSSCGKSA-N 0 1 232.327 2.407 20 0 BEADMN CO[C@@H](C)[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000639211918 354765223 /nfs/dbraw/zinc/76/52/23/354765223.db2.gz YRMTXGHUYPKXJL-UWVGGRQHSA-N 0 1 220.316 2.406 20 0 BEADMN Cc1ccc(C)c(NC(=O)N2CCN[C@@H](C)C2)c1 ZINC000335133623 354780907 /nfs/dbraw/zinc/78/09/07/354780907.db2.gz PJDGCFQWWQOLGY-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1ncc(CN(C)[C@@H]2CC2(C)C)cn1 ZINC000335940549 134017428 /nfs/dbraw/zinc/01/74/28/134017428.db2.gz UWDVQRXSORSVKY-LLVKDONJSA-N 0 1 205.305 2.015 20 0 BEADMN CC[C@@H](NCCC1CCOCC1)C(F)F ZINC000639215160 354814394 /nfs/dbraw/zinc/81/43/94/354814394.db2.gz VUSRXKSSZYHTCY-SNVBAGLBSA-N 0 1 221.291 2.436 20 0 BEADMN CCC(=O)CCCN(C)Cc1ccoc1 ZINC000232841982 363386280 /nfs/dbraw/zinc/38/62/80/363386280.db2.gz XTTKNNKAUFQCPH-UHFFFAOYSA-N 0 1 209.289 2.471 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC(C)(C)C)C[C@@H]1C ZINC000345942940 354815988 /nfs/dbraw/zinc/81/59/88/354815988.db2.gz FHRXTMSSORRNHB-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2=CCCC2)C[C@@H]1C ZINC000345988780 354834662 /nfs/dbraw/zinc/83/46/62/354834662.db2.gz QTFXVIFDNZGNDQ-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)CN(C(=O)c1ccn[nH]1)C1CCCC1 ZINC000346100956 354865643 /nfs/dbraw/zinc/86/56/43/354865643.db2.gz NGZAHMJUUSNZPA-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)C2CCCCC2)CCN1C ZINC000335948855 134021086 /nfs/dbraw/zinc/02/10/86/134021086.db2.gz KHBAGRJBZJIWRB-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CN(CCOCC(F)F)CCC(F)(F)F ZINC000346269467 354886814 /nfs/dbraw/zinc/88/68/14/354886814.db2.gz FBPWXJUHQXVPAD-UHFFFAOYSA-N 0 1 235.196 2.152 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2CCCC2)[C@@H]1C(=O)[O-] ZINC000235302698 363440938 /nfs/dbraw/zinc/44/09/38/363440938.db2.gz YGMRWGRTMRUBAP-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN O[C@@H]1CC[C@H]2CN(Cc3ccc(Cl)o3)C[C@@H]12 ZINC000346313480 354892884 /nfs/dbraw/zinc/89/28/84/354892884.db2.gz INPBVMBCSKOWNR-JMJZKYOTSA-N 0 1 241.718 2.136 20 0 BEADMN CCOC(=O)[C@@H](C)N(CCC1CC1)C1CC1 ZINC000346385546 354906632 /nfs/dbraw/zinc/90/66/32/354906632.db2.gz SSDUWGMVEBXPQY-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](C)N(C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623199986 354906725 /nfs/dbraw/zinc/90/67/25/354906725.db2.gz ZXXDKAKWKOJPOA-NHCYSSNCSA-N 0 1 249.358 2.333 20 0 BEADMN CC[C@H](C)N(C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623199987 354907220 /nfs/dbraw/zinc/90/72/20/354907220.db2.gz ZXXDKAKWKOJPOA-SCVCMEIPSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H]1CCCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623198089 354910588 /nfs/dbraw/zinc/91/05/88/354910588.db2.gz CCVWITXRPCMTKD-JFGNBEQYSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1CCCCC1 ZINC000335948855 134021085 /nfs/dbraw/zinc/02/10/85/134021085.db2.gz KHBAGRJBZJIWRB-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1ccccc1CN1C[C@@H](F)C[C@H]1CO ZINC000346365630 354919043 /nfs/dbraw/zinc/91/90/43/354919043.db2.gz NQNYCRFKKNDKOH-KBPBESRZSA-N 0 1 237.318 2.154 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000335189531 355021215 /nfs/dbraw/zinc/02/12/15/355021215.db2.gz KWEDWTMCOZJMAY-JSGCOSHPSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@]2(CCCOC2)C1 ZINC000335182098 355079432 /nfs/dbraw/zinc/07/94/32/355079432.db2.gz XTVALNOCYJOIGA-AWEZNQCLSA-N 0 1 249.358 2.111 20 0 BEADMN Cc1cn[nH]c1CN1CCc2cccc(F)c21 ZINC000335182070 355079618 /nfs/dbraw/zinc/07/96/18/355079618.db2.gz UXGXSGODXZKZRB-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000335182102 355079783 /nfs/dbraw/zinc/07/97/83/355079783.db2.gz XTVALNOCYJOIGA-CQSZACIVSA-N 0 1 249.358 2.111 20 0 BEADMN CCC(CC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000346765319 355112802 /nfs/dbraw/zinc/11/28/02/355112802.db2.gz GUQGSASIRMWNND-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C(C)(C)CC)C[C@@H]1C ZINC000346780818 355114997 /nfs/dbraw/zinc/11/49/97/355114997.db2.gz WJJPYLOAJHCQDV-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](F)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335237187 355098551 /nfs/dbraw/zinc/09/85/51/355098551.db2.gz FFMLQRPFYRLFLG-RYUDHWBXSA-N 0 1 215.312 2.237 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCOC1CCC1 ZINC000346838464 355132737 /nfs/dbraw/zinc/13/27/37/355132737.db2.gz PDRBMQQYXKTKKX-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346895336 355147487 /nfs/dbraw/zinc/14/74/87/355147487.db2.gz KTRTWBYVOFOFRK-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN CO[C@H]1CCN(Cc2ccns2)CC1(C)C ZINC000639231245 355168897 /nfs/dbraw/zinc/16/88/97/355168897.db2.gz VUIPXCVNGAJZNS-NSHDSACASA-N 0 1 240.372 2.390 20 0 BEADMN CN1CCN(C(=O)CCC(C)(C)C)C(C)(C)C1 ZINC000346900523 355148672 /nfs/dbraw/zinc/14/86/72/355148672.db2.gz NPTKMYAXVNUERB-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccns2)C[C@H]1C ZINC000639230264 355150932 /nfs/dbraw/zinc/15/09/32/355150932.db2.gz KRDBBAWATXNUQL-ZYHUDNBSSA-N 0 1 240.372 2.390 20 0 BEADMN CN(CCCC1CCOCC1)Cc1cc[nH]n1 ZINC000346911233 355151605 /nfs/dbraw/zinc/15/16/05/355151605.db2.gz IUMIOVFUOUWEHE-UHFFFAOYSA-N 0 1 237.347 2.048 20 0 BEADMN Oc1ccc2c(c1)CN(CCOC1CCC1)CC2 ZINC000346991217 355189464 /nfs/dbraw/zinc/18/94/64/355189464.db2.gz UBLFRASNZWYURK-UHFFFAOYSA-N 0 1 247.338 2.319 20 0 BEADMN c1nc2c(s1)CN(CC[C@@H]1CCCO1)CC2 ZINC000346999724 355196790 /nfs/dbraw/zinc/19/67/90/355196790.db2.gz YYOVYSZJUKIZLZ-JTQLQIEISA-N 0 1 238.356 2.070 20 0 BEADMN CC(C)[C@@H](O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000412985461 191329956 /nfs/dbraw/zinc/32/99/56/191329956.db2.gz FVJFMGWEJLPCER-QMMMGPOBSA-N 0 1 243.376 2.211 20 0 BEADMN CC(C)[C@@H](O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000412985461 191329957 /nfs/dbraw/zinc/32/99/57/191329957.db2.gz FVJFMGWEJLPCER-QMMMGPOBSA-N 0 1 243.376 2.211 20 0 BEADMN c1cc(CN2CCC[C@]3(CCOC3)C2)sn1 ZINC000639237316 355219906 /nfs/dbraw/zinc/21/99/06/355219906.db2.gz CFFLILVJTCAZCN-LBPRGKRZSA-N 0 1 238.356 2.146 20 0 BEADMN CCCCN(CCOC)Cc1cnc(C)nc1 ZINC000352013311 134035573 /nfs/dbraw/zinc/03/55/73/134035573.db2.gz IPOMTOVWXOQTOD-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN CC[C@H](CN1CCOC[C@H]1c1ccccc1)OC ZINC000412975967 191346259 /nfs/dbraw/zinc/34/62/59/191346259.db2.gz GYURFGOOTSJAQG-CABCVRRESA-N 0 1 249.354 2.485 20 0 BEADMN C[C@H](N[C@@H]1CCn2ccnc2C1)c1cscn1 ZINC000335281662 355272010 /nfs/dbraw/zinc/27/20/10/355272010.db2.gz JGQQGIZXNROIIP-VHSXEESVSA-N 0 1 248.355 2.005 20 0 BEADMN CCCN(Cc1cn(C(C)C)nn1)CC1CC1 ZINC000347643771 355272703 /nfs/dbraw/zinc/27/27/03/355272703.db2.gz BMUVRGNMXFYVQY-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN COC(=O)CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347593121 355250358 /nfs/dbraw/zinc/25/03/58/355250358.db2.gz GIKZNSRXYJOXTF-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)CC1(C)C ZINC000335287175 355255782 /nfs/dbraw/zinc/25/57/82/355255782.db2.gz PZOAGZDDNFFIAY-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccsc2)[C@@H]1C(=O)[O-] ZINC000235672207 363449612 /nfs/dbraw/zinc/44/96/12/363449612.db2.gz XHLVBHBDGFXKMG-ONGXEEELSA-N 0 1 239.340 2.433 20 0 BEADMN C[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])C1CC1 ZINC000084094106 355288705 /nfs/dbraw/zinc/28/87/05/355288705.db2.gz IHJHFFGMSPMXOP-LBPRGKRZSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000084093451 355288770 /nfs/dbraw/zinc/28/87/70/355288770.db2.gz OKLDCZVYUFGIPU-SNVBAGLBSA-N 0 1 225.313 2.043 20 0 BEADMN CC[C@@H](CN1CC(C)(O)C1)c1ccccc1 ZINC000639253266 355290591 /nfs/dbraw/zinc/29/05/91/355290591.db2.gz CEIYLOBTSQRZAL-LBPRGKRZSA-N 0 1 219.328 2.247 20 0 BEADMN Cc1cc(CN2CC(C(C)(C)C)C2)on1 ZINC000639255367 355298042 /nfs/dbraw/zinc/29/80/42/355298042.db2.gz DIIGNJZQEYJIJP-UHFFFAOYSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cccc(CN2CCC(C)(O)CC2)c1F ZINC000335436336 355307830 /nfs/dbraw/zinc/30/78/30/355307830.db2.gz WLOVQEUFPAOVIX-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN C[C@@H](NCC1CCSCC1)c1csnn1 ZINC000639267320 355327227 /nfs/dbraw/zinc/32/72/27/355327227.db2.gz XZFGTVQGVMXRFM-MRVPVSSYSA-N 0 1 243.401 2.332 20 0 BEADMN CCC1(CNCc2nc3ccccc3o2)COC1 ZINC000639247976 355276988 /nfs/dbraw/zinc/27/69/88/355276988.db2.gz BZGIWHZZCDWARN-UHFFFAOYSA-N 0 1 246.310 2.344 20 0 BEADMN CCC1CN(Cc2cncc(OC)c2C)C1 ZINC000639249618 355279477 /nfs/dbraw/zinc/27/94/77/355279477.db2.gz XCNSRYGJZDQNFN-UHFFFAOYSA-N 0 1 220.316 2.240 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2cc(C3CC3)no2)O1 ZINC000639249693 355280215 /nfs/dbraw/zinc/28/02/15/355280215.db2.gz LBJFBJISYOIXAV-MWLCHTKSSA-N 0 1 236.315 2.209 20 0 BEADMN CCCc1ncc(CNC[C@@H](OC)C2CC2)o1 ZINC000639252124 355286308 /nfs/dbraw/zinc/28/63/08/355286308.db2.gz NAOWBNVIUPRGIB-GFCCVEGCSA-N 0 1 238.331 2.142 20 0 BEADMN OCc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000639278562 355363065 /nfs/dbraw/zinc/36/30/65/355363065.db2.gz MQGKJORNBAOHMY-UHFFFAOYSA-N 0 1 241.281 2.266 20 0 BEADMN CO[C@@](C)([C@H](C)N[C@H]1CCn2ccnc21)C1CC1 ZINC000414244716 191465925 /nfs/dbraw/zinc/46/59/25/191465925.db2.gz SJEDKQLMZWEXPH-JKOKRWQUSA-N 0 1 249.358 2.121 20 0 BEADMN CCOC(=O)CCCCN[C@@H](C)c1ccon1 ZINC000349238477 355372858 /nfs/dbraw/zinc/37/28/58/355372858.db2.gz JXXZQMGTKHKOJN-JTQLQIEISA-N 0 1 240.303 2.059 20 0 BEADMN COC1([C@H](C)N[C@H](C)c2ccn(C)n2)CCC1 ZINC000414297674 191485504 /nfs/dbraw/zinc/48/55/04/191485504.db2.gz GMABFRODPNWAEL-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN Cc1ccnc([C@H]2CCN(Cc3cc[nH]n3)C2)c1 ZINC000583508791 355345775 /nfs/dbraw/zinc/34/57/75/355345775.db2.gz ULPPSIGGLBMSJK-LBPRGKRZSA-N 0 1 242.326 2.103 20 0 BEADMN O[C@@H]1CCN(Cc2ccns2)C2(CCC2)C1 ZINC000639274852 355350452 /nfs/dbraw/zinc/35/04/52/355350452.db2.gz FDLSITIKJOKCKX-SNVBAGLBSA-N 0 1 238.356 2.023 20 0 BEADMN C(N[C@@H]1CCC12CCCC2)c1nnc2n1CCC2 ZINC000335782211 355429534 /nfs/dbraw/zinc/42/95/34/355429534.db2.gz FFCRUAZSBJPJIE-LLVKDONJSA-N 0 1 246.358 2.037 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cc(C)on2)CC1 ZINC000335788978 355439889 /nfs/dbraw/zinc/43/98/89/355439889.db2.gz LIZJRTQUYQGWBU-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352025879 134042827 /nfs/dbraw/zinc/04/28/27/134042827.db2.gz MANKEQFETPPPCN-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1[nH]nc2ncc(CN3CC=C(C)CC3)cc12 ZINC000335796308 355452534 /nfs/dbraw/zinc/45/25/34/355452534.db2.gz XLQSPVXPSHDKMJ-UHFFFAOYSA-N 0 1 242.326 2.418 20 0 BEADMN CN(CC1CC1)C(=O)c1cc2[nH]cnc2cc1F ZINC000335797901 355454976 /nfs/dbraw/zinc/45/49/76/355454976.db2.gz RSETXAOFQGDFEN-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN COc1ccsc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000335814924 355503818 /nfs/dbraw/zinc/50/38/18/355503818.db2.gz XXWZRADJJRKIKQ-JTQLQIEISA-N 0 1 241.356 2.225 20 0 BEADMN COc1ccsc1CN1CCOC[C@@H](C)C1 ZINC000335814924 355503819 /nfs/dbraw/zinc/50/38/19/355503819.db2.gz XXWZRADJJRKIKQ-JTQLQIEISA-N 0 1 241.356 2.225 20 0 BEADMN Cc1noc(CCc2nc3cccc(C)c3[nH]2)n1 ZINC000349782980 355461419 /nfs/dbraw/zinc/46/14/19/355461419.db2.gz PYYGYEJVPGRAPP-UHFFFAOYSA-N 0 1 242.282 2.348 20 0 BEADMN CCn1ncnc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000639292058 355474974 /nfs/dbraw/zinc/47/49/74/355474974.db2.gz ZSUSMBZROZIYIU-WDEREUQCSA-N 0 1 236.363 2.212 20 0 BEADMN CCN(Cc1ccns1)[C@@H]1CCCOC1 ZINC000639293131 355539299 /nfs/dbraw/zinc/53/92/99/355539299.db2.gz FMIXRXZIKQKTAW-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CC1=CCN(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC000349989293 355546626 /nfs/dbraw/zinc/54/66/26/355546626.db2.gz HSVZGURYWHDEKY-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C1=CCCC1 ZINC000335831863 355558690 /nfs/dbraw/zinc/55/86/90/355558690.db2.gz VUCKTEWKTLRCKA-OCCSQVGLSA-N 0 1 248.370 2.182 20 0 BEADMN CC1=C(C(=O)N2CCN(C(C)C)CC2)CCC1 ZINC000335816384 355507210 /nfs/dbraw/zinc/50/72/10/355507210.db2.gz XHSDUGKFHXOYDK-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1nnc(CN2CCCC2(C)C)o1 ZINC000335835648 355563260 /nfs/dbraw/zinc/56/32/60/355563260.db2.gz WSXHNZXJMSMMDX-UHFFFAOYSA-N 0 1 209.293 2.006 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000582186507 355655803 /nfs/dbraw/zinc/65/58/03/355655803.db2.gz FHGMMYHPZWDXDV-MDZLAQPJSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@@H]1C ZINC000335862617 355626016 /nfs/dbraw/zinc/62/60/16/355626016.db2.gz STZQLFXZECTKKR-QWRGUYRKSA-N 0 1 236.363 2.121 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ncccn1 ZINC000335862802 355626106 /nfs/dbraw/zinc/62/61/06/355626106.db2.gz IQVDYDGWBMZOPK-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN Cc1cc(C(=O)N2CCC(C)(C3CC3)CC2)n[nH]1 ZINC000335868297 355633486 /nfs/dbraw/zinc/63/34/86/355633486.db2.gz ZLFUMIQQYGJOCR-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335870991 355637027 /nfs/dbraw/zinc/63/70/27/355637027.db2.gz QOEHKSFGWCHBJO-ONGXEEELSA-N 0 1 247.342 2.087 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nc3ccccc3o2)C1 ZINC000639311364 355682110 /nfs/dbraw/zinc/68/21/10/355682110.db2.gz MRDWPBBZYDLNTO-XYPYZODXSA-N 0 1 246.310 2.485 20 0 BEADMN CCC1(CNC(=O)[C@H]2CCCN2C)CCCC1 ZINC000350724286 355749545 /nfs/dbraw/zinc/74/95/45/355749545.db2.gz JTHFAAYZWFPGLF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1nccn1C ZINC000639326130 355725995 /nfs/dbraw/zinc/72/59/95/355725995.db2.gz FJMGKCNBYSREBC-XHNCKOQMSA-N 0 1 229.274 2.114 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccn1C)[C@H]1CC1(F)F ZINC000639326128 355726127 /nfs/dbraw/zinc/72/61/27/355726127.db2.gz FJMGKCNBYSREBC-HRDYMLBCSA-N 0 1 229.274 2.114 20 0 BEADMN CCC(C)(C)OC1CN(CCC[C@H]2CCO2)C1 ZINC000639348823 355789920 /nfs/dbraw/zinc/78/99/20/355789920.db2.gz KCERPEFYLRAFAC-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN Oc1ccc2c(c1)CN(CCC[C@H]1CCO1)C2 ZINC000639346830 355793467 /nfs/dbraw/zinc/79/34/67/355793467.db2.gz WHJFAPSJQRSWFT-AWEZNQCLSA-N 0 1 233.311 2.277 20 0 BEADMN CCc1noc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000608498460 355826520 /nfs/dbraw/zinc/82/65/20/355826520.db2.gz JXOJUHVFMLEYDO-WDEREUQCSA-N 0 1 235.331 2.397 20 0 BEADMN CCC[C@@H](Cc1ccccc1)[NH2+]Cc1cnn[n-]1 ZINC000628363430 355848473 /nfs/dbraw/zinc/84/84/73/355848473.db2.gz JXNNXWJEQJQEFC-ZDUSSCGKSA-N 0 1 244.342 2.306 20 0 BEADMN Cc1cc(CCC(=O)NC[C@@H]2C[C@H]2C(C)C)n[nH]1 ZINC001640815688 1172193725 /nfs/dbraw/zinc/19/37/25/1172193725.db2.gz MXGGQAWLYALUID-AAEUAGOBSA-N 0 1 249.358 2.059 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@H]2CCC[C@H]21 ZINC000294820624 355873319 /nfs/dbraw/zinc/87/33/19/355873319.db2.gz QJYZQOHEYFYMHN-KOLCDFICSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC000608501014 355829071 /nfs/dbraw/zinc/82/90/71/355829071.db2.gz GSMLYFGEFVSLON-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN OCc1ccc(CN2CCC(CCF)CC2)o1 ZINC000639376553 355902463 /nfs/dbraw/zinc/90/24/63/355902463.db2.gz OTZFHPMHRVDIDP-UHFFFAOYSA-N 0 1 241.306 2.344 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000399280828 355903707 /nfs/dbraw/zinc/90/37/07/355903707.db2.gz BDMNHZAWSAOCIH-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ncc(CN2CCC(CCF)CC2)cn1 ZINC000639380094 355916087 /nfs/dbraw/zinc/91/60/87/355916087.db2.gz CWMBTRQQZAJZRO-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN CCC(C)(C)CCNCc1csnn1 ZINC000639381437 355921731 /nfs/dbraw/zinc/92/17/31/355921731.db2.gz OTYXNMRSRDKOEX-UHFFFAOYSA-N 0 1 213.350 2.454 20 0 BEADMN CC1(NC/C=C/c2ccccc2)COC1 ZINC000639381416 355921877 /nfs/dbraw/zinc/92/18/77/355921877.db2.gz CQJINULOKSCUSJ-VMPITWQZSA-N 0 1 203.285 2.078 20 0 BEADMN CSc1ccc(CNC2(C)COC2)cc1 ZINC000639381501 355922055 /nfs/dbraw/zinc/92/20/55/355922055.db2.gz DNVKIYJWVVYDIT-UHFFFAOYSA-N 0 1 223.341 2.287 20 0 BEADMN Cc1nnc(CN[C@@H](C)C(C)(C)C)s1 ZINC000389250673 355935674 /nfs/dbraw/zinc/93/56/74/355935674.db2.gz CHBXOJLYZNGPDL-ZETCQYMHSA-N 0 1 213.350 2.371 20 0 BEADMN COCC1(C2CC2)CN(Cc2cnccc2C)C1 ZINC000639383072 355936835 /nfs/dbraw/zinc/93/68/35/355936835.db2.gz PSOGNOMIFLVAAK-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN C[C@H]1CN(c2ccnc3cc(F)ccc32)C[C@@H]1O ZINC000351507408 356005716 /nfs/dbraw/zinc/00/57/16/356005716.db2.gz YOEATEKVIXTNCJ-XPTSAGLGSA-N 0 1 246.285 2.191 20 0 BEADMN CCCCOCCN1CCO[C@H](C(C)C)C1 ZINC000351198652 355961028 /nfs/dbraw/zinc/96/10/28/355961028.db2.gz GIMUPURSVANKNU-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1ccc(F)cn1 ZINC000582221135 355962757 /nfs/dbraw/zinc/96/27/57/355962757.db2.gz RWEVNXRMBNNMLS-WCFLWFBJSA-N 0 1 238.306 2.439 20 0 BEADMN CC[C@@]1(O)CCCN(Cc2nc(C)cs2)C1 ZINC000639384664 355967295 /nfs/dbraw/zinc/96/72/95/355967295.db2.gz ITXWYJUPHKKECP-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cccc([C@H](C)N2CCc3n[nH]nc3C2)c1 ZINC000351631180 356036267 /nfs/dbraw/zinc/03/62/67/356036267.db2.gz FLTYFWHSFRULRP-NSHDSACASA-N 0 1 242.326 2.232 20 0 BEADMN Cc1cc([C@H](C)NC[C@H]2CCC[C@H](O)C2)no1 ZINC000353259237 356036817 /nfs/dbraw/zinc/03/68/17/356036817.db2.gz DPSLWZWFMYVTSB-SRVKXCTJSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000336065736 134070513 /nfs/dbraw/zinc/07/05/13/134070513.db2.gz AFQIYQVNANDNDZ-IUCAKERBSA-N 0 1 235.331 2.464 20 0 BEADMN Cn1cc(CN2CCC[C@@H](C3CCC3)CC2)nn1 ZINC000639392246 356051931 /nfs/dbraw/zinc/05/19/31/356051931.db2.gz UVKWTJVSFJQELF-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN CCC1(CC)CCN(Cc2nnc(C)o2)C1 ZINC000351537143 356011361 /nfs/dbraw/zinc/01/13/61/356011361.db2.gz OTQGUQIMGLSLBC-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1cccc(C)c1[C@@H](C)NCc1cnnn1C ZINC000351591597 356023624 /nfs/dbraw/zinc/02/36/24/356023624.db2.gz FZWVHYKYWSEXMQ-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN c1ccc(CN2CC3(C2)CCCC3)nc1 ZINC000335911574 356125372 /nfs/dbraw/zinc/12/53/72/356125372.db2.gz PFISTWWUDIVUMA-UHFFFAOYSA-N 0 1 202.301 2.458 20 0 BEADMN C[C@@H](F)CCN[C@@H](CO)c1c(F)cccc1F ZINC000351721044 356070566 /nfs/dbraw/zinc/07/05/66/356070566.db2.gz RFSQSSKCESTTAP-KCJUWKMLSA-N 0 1 247.260 2.336 20 0 BEADMN C[C@@H](NCc1cccc(F)c1)c1ccnn1C ZINC000192247346 356072900 /nfs/dbraw/zinc/07/29/00/356072900.db2.gz VZVXYCUISHWIOJ-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN CCc1nn(C)c(CC)c1CN1CC(C)(C)C1 ZINC000639393608 356080411 /nfs/dbraw/zinc/08/04/11/356080411.db2.gz OZHILPYTNWCHRH-UHFFFAOYSA-N 0 1 235.375 2.387 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351821819 356090513 /nfs/dbraw/zinc/09/05/13/356090513.db2.gz BMOJHTHQPHFXEG-JRKPZEMJSA-N 0 1 241.281 2.338 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351821821 356091170 /nfs/dbraw/zinc/09/11/70/356091170.db2.gz BMOJHTHQPHFXEG-VYUIOLGVSA-N 0 1 241.281 2.338 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613496014 363458652 /nfs/dbraw/zinc/45/86/52/363458652.db2.gz RLSIXKOGCLZKLF-MYJAWHEDSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613496014 363458658 /nfs/dbraw/zinc/45/86/58/363458658.db2.gz RLSIXKOGCLZKLF-MYJAWHEDSA-N 0 1 246.314 2.057 20 0 BEADMN CCOC(=O)CN(CC[C@@H](C)F)CC(C)C ZINC000351863653 356100855 /nfs/dbraw/zinc/10/08/55/356100855.db2.gz QYLPKHGOCIOGKM-LLVKDONJSA-N 0 1 233.327 2.256 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000336093143 134079131 /nfs/dbraw/zinc/07/91/31/134079131.db2.gz UCKLDJKOTGBDQV-OLZOCXBDSA-N 0 1 240.391 2.077 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000336093143 134079132 /nfs/dbraw/zinc/07/91/32/134079132.db2.gz UCKLDJKOTGBDQV-OLZOCXBDSA-N 0 1 240.391 2.077 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000336093142 134079296 /nfs/dbraw/zinc/07/92/96/134079296.db2.gz UCKLDJKOTGBDQV-CHWSQXEVSA-N 0 1 240.391 2.077 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000336093142 134079297 /nfs/dbraw/zinc/07/92/97/134079297.db2.gz UCKLDJKOTGBDQV-CHWSQXEVSA-N 0 1 240.391 2.077 20 0 BEADMN Cc1nc2ccccn2c1CN1CC(C)(C)C1 ZINC000639402330 356176017 /nfs/dbraw/zinc/17/60/17/356176017.db2.gz ARVVNIQZAPVYBP-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000617570482 356133221 /nfs/dbraw/zinc/13/32/21/356133221.db2.gz RIROMNMZLVDTGM-JTQLQIEISA-N 0 1 237.347 2.202 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000617571018 356133829 /nfs/dbraw/zinc/13/38/29/356133829.db2.gz DUVNFPIZYUKLIH-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC1CC(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)C1 ZINC000351885065 356136299 /nfs/dbraw/zinc/13/62/99/356136299.db2.gz AVKMXEWQEQETNE-ZIHBUVQPSA-N 0 1 241.375 2.301 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000639448500 356228888 /nfs/dbraw/zinc/22/88/88/356228888.db2.gz HTXOGPDXGAFDQA-CYBMUJFWSA-N 0 1 203.285 2.195 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CC(C)(C)CO1 ZINC000639451118 356236548 /nfs/dbraw/zinc/23/65/48/356236548.db2.gz BNBABCZERMERDF-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN CCN(CCc1ccccc1)CC(C)=O ZINC000639452835 356236573 /nfs/dbraw/zinc/23/65/73/356236573.db2.gz GOWXWPQQLSXTNH-UHFFFAOYSA-N 0 1 205.301 2.140 20 0 BEADMN O[C@H]1CN(Cc2ccccc2Cl)CC12CC2 ZINC000336108095 134085213 /nfs/dbraw/zinc/08/52/13/134085213.db2.gz BYYZZLYKWDLKPE-LBPRGKRZSA-N 0 1 237.730 2.297 20 0 BEADMN CC[C@@H]1CCCN1Cc1nc(CC2CC2)no1 ZINC000639470631 356257417 /nfs/dbraw/zinc/25/74/17/356257417.db2.gz IFSRFRGMOZTSIU-LLVKDONJSA-N 0 1 235.331 2.397 20 0 BEADMN CC1(C)CCCN1Cc1nc(CC2CC2)no1 ZINC000639473399 356265743 /nfs/dbraw/zinc/26/57/43/356265743.db2.gz IAUCDWOCZRQMCE-UHFFFAOYSA-N 0 1 235.331 2.397 20 0 BEADMN COc1cccc(C[C@@H]2CCC[N@H+]2CC(C)=O)c1 ZINC000639456679 356242299 /nfs/dbraw/zinc/24/22/99/356242299.db2.gz PEOFSKSASIEEOU-AWEZNQCLSA-N 0 1 247.338 2.291 20 0 BEADMN COc1cccc(C[C@@H]2CCCN2CC(C)=O)c1 ZINC000639456679 356242302 /nfs/dbraw/zinc/24/23/02/356242302.db2.gz PEOFSKSASIEEOU-AWEZNQCLSA-N 0 1 247.338 2.291 20 0 BEADMN Cc1occc1CN(C)Cc1cc[nH]c(=O)c1 ZINC000639459287 356246834 /nfs/dbraw/zinc/24/68/34/356246834.db2.gz HUDJOUVHZFBTIN-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN c1csc(CNC[C@H]2CCCS2)n1 ZINC000087473301 491088770 /nfs/dbraw/zinc/08/87/70/491088770.db2.gz HEMNWDIYSUOVCT-MRVPVSSYSA-N 0 1 214.359 2.128 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000336124108 134092493 /nfs/dbraw/zinc/09/24/93/134092493.db2.gz MCKAJUJJIOOMLL-LLVKDONJSA-N 0 1 236.363 2.371 20 0 BEADMN Cc1cc(C)c(CN(C)[C@@H]2CCOC2)c(C)n1 ZINC000639482026 356296790 /nfs/dbraw/zinc/29/67/90/356296790.db2.gz GRKCAGLAIWXCDH-CYBMUJFWSA-N 0 1 234.343 2.228 20 0 BEADMN CC(=O)CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000639494530 356319600 /nfs/dbraw/zinc/31/96/00/356319600.db2.gz BCXUIMHGIJLYRA-LBPRGKRZSA-N 0 1 219.328 2.447 20 0 BEADMN C[C@H]1CN(Cc2n[nH]c(C(C)(C)C)n2)C[C@@H]1C ZINC000336137290 134096246 /nfs/dbraw/zinc/09/62/46/134096246.db2.gz IAIMUQWOJCPDEA-UWVGGRQHSA-N 0 1 236.363 2.190 20 0 BEADMN CCc1nc(C)c(CN2C[C@@H](C)[C@@H]2C)o1 ZINC000336342055 356343006 /nfs/dbraw/zinc/34/30/06/356343006.db2.gz AHYNFFDNGSTRJS-SCZZXKLOSA-N 0 1 208.305 2.386 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCC[C@@H]2C)o1 ZINC000380272140 356349807 /nfs/dbraw/zinc/34/98/07/356349807.db2.gz WQMWJZHEJZRDRD-NRPADANISA-N 0 1 209.293 2.217 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(C)=O ZINC000639540186 356393008 /nfs/dbraw/zinc/39/30/08/356393008.db2.gz GPLQRODHZAOTNM-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CCc1noc(C)c1CN(C)[C@@H]1CCCOC1 ZINC000352193369 134098527 /nfs/dbraw/zinc/09/85/27/134098527.db2.gz CMAZULCHZDKBGX-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccc(Cl)cn1 ZINC000336625184 356411541 /nfs/dbraw/zinc/41/15/41/356411541.db2.gz ONYKHUIPZKJDEN-NSHDSACASA-N 0 1 240.734 2.080 20 0 BEADMN CN(Cc1ccc[nH]1)C(=O)c1ccc(F)cc1O ZINC000336144271 134101285 /nfs/dbraw/zinc/10/12/85/134101285.db2.gz YNLBXLZAPOYMOI-UHFFFAOYSA-N 0 1 248.257 2.132 20 0 BEADMN Cc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)on1 ZINC000631101684 356420679 /nfs/dbraw/zinc/42/06/79/356420679.db2.gz LTBOFOGSDZORDB-SECBINFHSA-N 0 1 249.318 2.075 20 0 BEADMN CCN1CCN(CC(F)(F)CC)C[C@@H]1C ZINC000639546272 356408660 /nfs/dbraw/zinc/40/86/60/356408660.db2.gz DUFGSLZPTUWGLK-JTQLQIEISA-N 0 1 220.307 2.058 20 0 BEADMN CC1(C)CO[C@H](CN2CCOC3(CCC3)C2)C1 ZINC000639557121 356461311 /nfs/dbraw/zinc/46/13/11/356461311.db2.gz WUDOJEJFLMOQQN-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000639557991 356463203 /nfs/dbraw/zinc/46/32/03/356463203.db2.gz ARPYWDYMMFUNPZ-ZJUUUORDSA-N 0 1 220.307 2.056 20 0 BEADMN C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000639551999 356440001 /nfs/dbraw/zinc/44/00/01/356440001.db2.gz VTXAPYGIGVWUQQ-FRRDWIJNSA-N 0 1 234.343 2.499 20 0 BEADMN CCN(Cc1nc2ccccc2o1)C[C@H](C)O ZINC000352220357 134109279 /nfs/dbraw/zinc/10/92/79/134109279.db2.gz HTZXIEYHLSDZHF-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN CC[C@@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000420621397 192250338 /nfs/dbraw/zinc/25/03/38/192250338.db2.gz CVAGRWMAVDMQAB-LLVKDONJSA-N 0 1 248.301 2.287 20 0 BEADMN COc1ccc([C@H](NCC(C)=O)C2CC2)cc1 ZINC000639568895 356491427 /nfs/dbraw/zinc/49/14/27/356491427.db2.gz QRAAEROZJJLCLI-CQSZACIVSA-N 0 1 233.311 2.325 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000639567734 356490501 /nfs/dbraw/zinc/49/05/01/356490501.db2.gz WBDNHNHWOIFURF-GFCCVEGCSA-N 0 1 243.310 2.112 20 0 BEADMN CSc1ccc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000336163851 134112430 /nfs/dbraw/zinc/11/24/30/134112430.db2.gz YXSNNNMKAGLEHZ-QMMMGPOBSA-N 0 1 229.370 2.037 20 0 BEADMN CSc1ccc(CN2CC[C@H](O)C2)s1 ZINC000336163851 134112431 /nfs/dbraw/zinc/11/24/31/134112431.db2.gz YXSNNNMKAGLEHZ-QMMMGPOBSA-N 0 1 229.370 2.037 20 0 BEADMN CC[C@@H](C)CNc1nnc(C2CC2)s1 ZINC000420651639 192254862 /nfs/dbraw/zinc/25/48/62/192254862.db2.gz KPMVWDDZFQSLDK-SSDOTTSWSA-N 0 1 211.334 2.295 20 0 BEADMN CCc1noc(C)c1CN(C)C1CC(OC)C1 ZINC000352232407 134113021 /nfs/dbraw/zinc/11/30/21/134113021.db2.gz VHIUGTHDFDZVSQ-UHFFFAOYSA-N 0 1 238.331 2.155 20 0 BEADMN c1coc([C@H]2CN(CC3CCC3)CCO2)c1 ZINC000336172525 134115591 /nfs/dbraw/zinc/11/55/91/134115591.db2.gz DTSCZICAXKJZFG-CYBMUJFWSA-N 0 1 221.300 2.453 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@@H](C)[C@H](C)O1 ZINC000639603322 356524109 /nfs/dbraw/zinc/52/41/09/356524109.db2.gz NSKWXBXMVGIDQA-VOAKCMCISA-N 0 1 241.375 2.299 20 0 BEADMN CCOC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420959157 192282106 /nfs/dbraw/zinc/28/21/06/192282106.db2.gz DISCDGHCKWHFGH-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN CC1(C)CO[C@H](CN2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000639615997 356534206 /nfs/dbraw/zinc/53/42/06/356534206.db2.gz AFRJAEWBBHWPPR-WCQYABFASA-N 0 1 249.358 2.362 20 0 BEADMN CNC(=O)[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC000336190497 134123486 /nfs/dbraw/zinc/12/34/86/134123486.db2.gz MYFGWEMBEWJIKM-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@H](NCc1cc2ccccc2o1)C(=O)NC ZINC000449771424 202028886 /nfs/dbraw/zinc/02/88/86/202028886.db2.gz GWJOJSJTJJXBDN-LBPRGKRZSA-N 0 1 246.310 2.047 20 0 BEADMN CCC(CC)(CO)CNCc1nccs1 ZINC000088176101 491095283 /nfs/dbraw/zinc/09/52/83/491095283.db2.gz UWGNUCUIEOYVQG-UHFFFAOYSA-N 0 1 228.361 2.031 20 0 BEADMN CCOC(=O)CN(C(C)C)C1CC(C)(C)C1 ZINC000449781574 202034706 /nfs/dbraw/zinc/03/47/06/202034706.db2.gz IOAGXUVZOQGHCX-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN CC[N@H+]1C[C@@H](C)N(CC2CC(F)(F)C2)C[C@H]1C ZINC000336197566 134126814 /nfs/dbraw/zinc/12/68/14/134126814.db2.gz WICGLJGLQQYSAP-GHMZBOCLSA-N 0 1 246.345 2.446 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@]23CCOC3)c(C)n1 ZINC000421013670 192302694 /nfs/dbraw/zinc/30/26/94/192302694.db2.gz GIFLTAMIJJJUGV-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN Cc1ccc(CN2CC[C@]23CCOC3)c(C)n1 ZINC000421013670 192302697 /nfs/dbraw/zinc/30/26/97/192302697.db2.gz GIFLTAMIJJJUGV-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN CCN1CCN(CC(F)(F)CC)[C@H](C)C1 ZINC000639642304 356555193 /nfs/dbraw/zinc/55/51/93/356555193.db2.gz QHZULLOEZAEGHC-SNVBAGLBSA-N 0 1 220.307 2.058 20 0 BEADMN CCCCNCc1nn(C)c(C)c1Cl ZINC000421324545 192318432 /nfs/dbraw/zinc/31/84/32/192318432.db2.gz INRVSHNEPHFRAC-UHFFFAOYSA-N 0 1 215.728 2.272 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2ccon2)no1 ZINC000350595730 366306648 /nfs/dbraw/zinc/30/66/48/366306648.db2.gz MKXBHDQICQIVCF-DTORHVGOSA-N 0 1 248.286 2.097 20 0 BEADMN CC(=O)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000639655824 356572181 /nfs/dbraw/zinc/57/21/81/356572181.db2.gz RRKICXSAZODDIS-AWEZNQCLSA-N 0 1 247.338 2.069 20 0 BEADMN CCC(F)(F)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000639657519 356572711 /nfs/dbraw/zinc/57/27/11/356572711.db2.gz PFDYLMMQHNGINT-AOOOYVTPSA-N 0 1 220.307 2.056 20 0 BEADMN CO[C@H]1CCN(Cc2ccncc2F)[C@@H](C)C1 ZINC000336210108 134133712 /nfs/dbraw/zinc/13/37/12/134133712.db2.gz HDUGEGMQTANGIF-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN CS[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000336210258 134134224 /nfs/dbraw/zinc/13/42/24/134134224.db2.gz RLXBMKPNGOUGBI-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639653098 356565126 /nfs/dbraw/zinc/56/51/26/356565126.db2.gz RDHOHXBUUZSZBY-UHFFFAOYSA-N 0 1 245.273 2.465 20 0 BEADMN COc1cccc([C@H]2C[C@H](N(C)CC(C)=O)C2)c1 ZINC000639668743 356575825 /nfs/dbraw/zinc/57/58/25/356575825.db2.gz SPORVEJLBXDGAD-HDJSIYSDSA-N 0 1 247.338 2.462 20 0 BEADMN CCCN(C(=O)c1cc(C(F)F)[nH]n1)C1CC1 ZINC000639678844 356594333 /nfs/dbraw/zinc/59/43/33/356594333.db2.gz XFQQPKZHVANKBR-UHFFFAOYSA-N 0 1 243.257 2.362 20 0 BEADMN CCc1nnc(NC(=O)[C@H](CC)CC(C)C)[nH]1 ZINC000450133468 202083950 /nfs/dbraw/zinc/08/39/50/202083950.db2.gz GSSDTYWWSQIDLF-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](CC)CC(C)C)n1 ZINC000450133468 202083953 /nfs/dbraw/zinc/08/39/53/202083953.db2.gz GSSDTYWWSQIDLF-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN Cc1nc(CNC(C(C)C)C(C)C)no1 ZINC000379831130 538461083 /nfs/dbraw/zinc/46/10/83/538461083.db2.gz CQDUIVHUJAHCTM-UHFFFAOYSA-N 0 1 211.309 2.148 20 0 BEADMN CC[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@@H]1CCCOC1 ZINC000639729418 356623008 /nfs/dbraw/zinc/62/30/08/356623008.db2.gz JIRKLVWENCUHBU-OLZOCXBDSA-N 0 1 241.375 2.302 20 0 BEADMN CCCN(Cc1cn(CC2CC2)nn1)CC1CC1 ZINC000450220596 202101455 /nfs/dbraw/zinc/10/14/55/202101455.db2.gz JHWLUBUFFVJBFT-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)CCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000450239427 202102022 /nfs/dbraw/zinc/10/20/22/202102022.db2.gz DRAKWQVXZZBDDW-BETUJISGSA-N 0 1 240.391 2.364 20 0 BEADMN CC1CCC(CN2CC[S@](=O)[C@H](C)C2)CC1 ZINC000336413345 134146616 /nfs/dbraw/zinc/14/66/16/134146616.db2.gz QIMCZMRVGPECRW-WLFBYQNASA-N 0 1 243.416 2.266 20 0 BEADMN Cn1nccc1CN1CCCc2ccccc2C1 ZINC000179806780 366310964 /nfs/dbraw/zinc/31/09/64/366310964.db2.gz PZOWMFBDCAQDKQ-UHFFFAOYSA-N 0 1 241.338 2.369 20 0 BEADMN CC[C@H](NC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000323870506 356661411 /nfs/dbraw/zinc/66/14/11/356661411.db2.gz RLVNZJCKMYHVJB-NSHDSACASA-N 0 1 243.310 2.481 20 0 BEADMN COC(=O)[C@@H]1CCCN1CC1=CCCCC1 ZINC000450355368 202143356 /nfs/dbraw/zinc/14/33/56/202143356.db2.gz QNSWMWMHZXSFBH-LBPRGKRZSA-N 0 1 223.316 2.124 20 0 BEADMN CC[C@H]1CCCN1Cc1cn(CC2CC2)nn1 ZINC000450347819 202138316 /nfs/dbraw/zinc/13/83/16/202138316.db2.gz QFQXQOHUTUNSOX-ZDUSSCGKSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)(F)F ZINC000389480482 356689112 /nfs/dbraw/zinc/68/91/12/356689112.db2.gz FIZTZDAVBNZPMT-UTLUCORTSA-N 0 1 232.318 2.245 20 0 BEADMN CCc1nnc(CN(C)C2CCCCC2)o1 ZINC000054114928 363561298 /nfs/dbraw/zinc/56/12/98/363561298.db2.gz LTYDLVULXIIQSZ-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000035297476 356705335 /nfs/dbraw/zinc/70/53/35/356705335.db2.gz MHLQWGRUEBJQAB-CYBMUJFWSA-N 0 1 233.311 2.168 20 0 BEADMN CC[C@H](O)CC(=O)Nc1cccc(Cl)c1O ZINC000450414255 202158739 /nfs/dbraw/zinc/15/87/39/202158739.db2.gz XJWNWERSIWGWRC-ZETCQYMHSA-N 0 1 243.690 2.145 20 0 BEADMN CCN(Cc1ccoc1C(=O)OC)C1CCC1 ZINC000353813149 356720538 /nfs/dbraw/zinc/72/05/38/356720538.db2.gz HNZYBWZQCJHHFD-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN Cc1cccc(CN2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639777328 356721966 /nfs/dbraw/zinc/72/19/66/356721966.db2.gz KKYMPPXGHMXSFR-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2cn[nH]c2)O1 ZINC000639778734 356723209 /nfs/dbraw/zinc/72/32/09/356723209.db2.gz SRSTVHPMEKUWQI-RAIGVLPGSA-N 0 1 235.331 2.114 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1C ZINC000354155572 356731177 /nfs/dbraw/zinc/73/11/77/356731177.db2.gz ODXRVKIZNFHMDY-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1C ZINC000354155574 356731190 /nfs/dbraw/zinc/73/11/90/356731190.db2.gz ODXRVKIZNFHMDY-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCOCCCN(C)Cc1ccns1 ZINC000639789625 356742861 /nfs/dbraw/zinc/74/28/61/356742861.db2.gz RMBJOAAVJJKOTQ-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN C[C@H]1CN(Cc2cn(CC3CC3)nn2)C(C)(C)C1 ZINC000450451817 202169012 /nfs/dbraw/zinc/16/90/12/202169012.db2.gz IOOADJTXIMHVFA-LLVKDONJSA-N 0 1 248.374 2.309 20 0 BEADMN CCc1nc(CN2CCC(C)(CC)CC2)n[nH]1 ZINC000354864503 356745555 /nfs/dbraw/zinc/74/55/55/356745555.db2.gz ZAVTYYMPDKNXDB-UHFFFAOYSA-N 0 1 236.363 2.379 20 0 BEADMN CCN(Cc1cc2c(cc1OC)OCO2)C1CC1 ZINC000355354061 356756372 /nfs/dbraw/zinc/75/63/72/356756372.db2.gz HMLWOTUDYYUUKD-UHFFFAOYSA-N 0 1 249.310 2.408 20 0 BEADMN C[C@H]1CCCN1Cc1ccn(CC(F)(F)F)n1 ZINC000450453864 202171081 /nfs/dbraw/zinc/17/10/81/202171081.db2.gz KFNSXSDYNRCTIO-VIFPVBQESA-N 0 1 247.264 2.430 20 0 BEADMN CCc1cnc(CN[C@H]2CCSC2)s1 ZINC000130428073 325051028 /nfs/dbraw/zinc/05/10/28/325051028.db2.gz GADUFDACUFAXDD-QMMMGPOBSA-N 0 1 228.386 2.301 20 0 BEADMN O=C(CCc1cnc[nH]1)NCCC1CCCCC1 ZINC000350916528 538691991 /nfs/dbraw/zinc/69/19/91/538691991.db2.gz DSOHAVKKVBFEJU-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356048358 356786708 /nfs/dbraw/zinc/78/67/08/356786708.db2.gz CRZDESYYMOISTD-DGCLKSJQSA-N 0 1 239.359 2.474 20 0 BEADMN CCOCCCN1CCC[C@@H]1c1ncccn1 ZINC000639842202 356836175 /nfs/dbraw/zinc/83/61/75/356836175.db2.gz BYFALBYRSLJZJI-GFCCVEGCSA-N 0 1 235.331 2.040 20 0 BEADMN CCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639843076 356838516 /nfs/dbraw/zinc/83/85/16/356838516.db2.gz MBWUWRYKXAEAIQ-NSHDSACASA-N 0 1 205.305 2.414 20 0 BEADMN CCCCN1CCC[C@H]1c1ncccn1 ZINC000639843076 356838517 /nfs/dbraw/zinc/83/85/17/356838517.db2.gz MBWUWRYKXAEAIQ-NSHDSACASA-N 0 1 205.305 2.414 20 0 BEADMN C[C@H](N[C@@H](CO)CCC(C)(C)C)c1ncc[nH]1 ZINC000353592791 538751527 /nfs/dbraw/zinc/75/15/27/538751527.db2.gz KEVJPPQOSFCLEQ-WDEREUQCSA-N 0 1 239.363 2.248 20 0 BEADMN CCN(Cc1ccc(COC)o1)[C@H]1CCOC1 ZINC000361237051 356920146 /nfs/dbraw/zinc/92/01/46/356920146.db2.gz MNJPOLSNIBHAEB-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN CC(C)[C@@H](NCc1cncn1C)c1cccnc1 ZINC000353563722 538750484 /nfs/dbraw/zinc/75/04/84/538750484.db2.gz GIDXFOJVDQREOS-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ncc[nH]1 ZINC000353595833 538751196 /nfs/dbraw/zinc/75/11/96/538751196.db2.gz PEGVQXMJMKOAQS-DJLDLDEBSA-N 0 1 245.273 2.221 20 0 BEADMN CCC[C@H](CNCc1cnc(C)o1)OCC ZINC000628381849 356937236 /nfs/dbraw/zinc/93/72/36/356937236.db2.gz VXAVHLIZAYUJHV-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN C[C@@H](NCc1ccncc1)c1ccccn1 ZINC000020123262 356997582 /nfs/dbraw/zinc/99/75/82/356997582.db2.gz MJTCLXXQOGRSSQ-LLVKDONJSA-N 0 1 213.284 2.327 20 0 BEADMN CCC[C@H]1CN(CC2CCC(=O)CC2)CCO1 ZINC000450619695 202212431 /nfs/dbraw/zinc/21/24/31/202212431.db2.gz BMRDSYRACKPQIZ-AWEZNQCLSA-N 0 1 239.359 2.247 20 0 BEADMN COC(C)(C)CCN1CCC[C@@H]1c1ncccn1 ZINC000639872793 357044875 /nfs/dbraw/zinc/04/48/75/357044875.db2.gz RHRDUSUFNFXABW-GFCCVEGCSA-N 0 1 249.358 2.429 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC000054461654 363571962 /nfs/dbraw/zinc/57/19/62/363571962.db2.gz DAQYJNMNPNWUEV-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nnc(C2CC2)o1 ZINC000390668629 357110234 /nfs/dbraw/zinc/11/02/34/357110234.db2.gz UXKQFYZJNZHGJY-IUCAKERBSA-N 0 1 223.320 2.471 20 0 BEADMN CCc1nsc(NCC2CC(C)(C)C2)n1 ZINC000389880734 357059519 /nfs/dbraw/zinc/05/95/19/357059519.db2.gz OAMBNHAGITUPOR-UHFFFAOYSA-N 0 1 225.361 2.371 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000389901036 357064563 /nfs/dbraw/zinc/06/45/63/357064563.db2.gz BWSPVQAIAKJBQH-HOSYDEDBSA-N 0 1 209.289 2.416 20 0 BEADMN OCCCCc1nc2ccc(F)cc2[nH]1 ZINC000026462194 357135764 /nfs/dbraw/zinc/13/57/64/357135764.db2.gz OVQVGMAHZSEMCY-UHFFFAOYSA-N 0 1 208.236 2.017 20 0 BEADMN CCC[C@H](CNCc1cc(C)no1)OCC ZINC000631181456 357166982 /nfs/dbraw/zinc/16/69/82/357166982.db2.gz OCPUESMCOPHLKJ-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccnc(C)c1 ZINC000391141552 357123050 /nfs/dbraw/zinc/12/30/50/357123050.db2.gz RQIPOQDIZFKTLV-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ncsc1CNCc1ccnc(C)c1 ZINC000391217079 357126839 /nfs/dbraw/zinc/12/68/39/357126839.db2.gz XHUSFEZSKXYYLA-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C(c1nc2c(s1)CCCC2)N1C[C@@H]2C[C@@H]2C1 ZINC000628410090 357215803 /nfs/dbraw/zinc/21/58/03/357215803.db2.gz FXJBAKVYTGSVQT-AOOOYVTPSA-N 0 1 234.368 2.474 20 0 BEADMN COc1ccc(F)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000628410444 357216479 /nfs/dbraw/zinc/21/64/79/357216479.db2.gz LHSKELHBAJZMLB-AOOOYVTPSA-N 0 1 221.275 2.286 20 0 BEADMN C[C@H]1CC(F)(F)CCN1CCc1cnccn1 ZINC000639893025 357224431 /nfs/dbraw/zinc/22/44/31/357224431.db2.gz BORVNHAWQHERJG-JTQLQIEISA-N 0 1 241.285 2.139 20 0 BEADMN Cc1ncncc1[C@H](C)NCC(C)(C)F ZINC000631662882 357226204 /nfs/dbraw/zinc/22/62/04/357226204.db2.gz OBUACWCYRBKZON-QMMMGPOBSA-N 0 1 211.284 2.184 20 0 BEADMN Cc1n[nH]cc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628390077 357186267 /nfs/dbraw/zinc/18/62/67/357186267.db2.gz CIEQPERPOTYODV-RKDXNWHRSA-N 0 1 243.301 2.441 20 0 BEADMN Cc1n[nH]cc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000628390076 357186691 /nfs/dbraw/zinc/18/66/91/357186691.db2.gz CIEQPERPOTYODV-IUCAKERBSA-N 0 1 243.301 2.441 20 0 BEADMN c1[nH]nnc1CCSc1nc2ccccc2[nH]1 ZINC000582464704 357288495 /nfs/dbraw/zinc/28/84/95/357288495.db2.gz HDBFYAHFEYXHKQ-UHFFFAOYSA-N 0 1 245.311 2.016 20 0 BEADMN OCc1ccc(CN2CCCC(F)(F)CC2)o1 ZINC000628421851 357243784 /nfs/dbraw/zinc/24/37/84/357243784.db2.gz BQESYAPZNGOBJJ-UHFFFAOYSA-N 0 1 245.269 2.393 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000628421982 357244160 /nfs/dbraw/zinc/24/41/60/357244160.db2.gz HTXNRMSEZNJXIG-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN Cc1cnc([C@@H](N[C@@H]2CCOC2)C2CC2)s1 ZINC000168315374 134195962 /nfs/dbraw/zinc/19/59/62/134195962.db2.gz KNTWZDLVOCJIDK-MNOVXSKESA-N 0 1 238.356 2.281 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000357146623 538825963 /nfs/dbraw/zinc/82/59/63/538825963.db2.gz ZBZQUQNLBWYAID-UTUOFQBUSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@]12CCCC[C@H]1C[N@H+]2CCc1cnccn1 ZINC000639896397 357263865 /nfs/dbraw/zinc/26/38/65/357263865.db2.gz DILGEAUGHOUBMH-JSGCOSHPSA-N 0 1 231.343 2.284 20 0 BEADMN COC1CCC(NCC(C)(F)F)CC1 ZINC000393151512 357277886 /nfs/dbraw/zinc/27/78/86/357277886.db2.gz MTVMMUPHZAZCLT-UHFFFAOYSA-N 0 1 207.264 2.189 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000393170332 357278409 /nfs/dbraw/zinc/27/84/09/357278409.db2.gz FAXFLXYWQONWRM-MRVPVSSYSA-N 0 1 242.344 2.318 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccon1 ZINC000393949347 357321075 /nfs/dbraw/zinc/32/10/75/357321075.db2.gz QJEJDRPJMIOMQC-ZRUFSTJUSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cn2ccccc2n1 ZINC000582736205 357376356 /nfs/dbraw/zinc/37/63/56/357376356.db2.gz VGGXBBGDWFUSDG-IJLUTSLNSA-N 0 1 245.326 2.162 20 0 BEADMN Cc1nnsc1CN1CCC(C)(C)CC1 ZINC000582610237 357350242 /nfs/dbraw/zinc/35/02/42/357350242.db2.gz TWIZKGAKOKTLLY-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN CC[N@@H+](CC1CC1)[C@H](CC(C)C)C(=O)[O-] ZINC000582612731 357352378 /nfs/dbraw/zinc/35/23/78/357352378.db2.gz XBAXTBIIMGZDML-LLVKDONJSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000394644587 357366313 /nfs/dbraw/zinc/36/63/13/357366313.db2.gz IJBVAQKQQILUSM-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN CC(C)(C)n1cc(CNC2CC(C)(C)C2)nn1 ZINC000395169310 357415767 /nfs/dbraw/zinc/41/57/67/357415767.db2.gz GNFDITZYUMPXOU-UHFFFAOYSA-N 0 1 236.363 2.311 20 0 BEADMN CC(C)n1cc(CNC2CC(C)(C)C2)nn1 ZINC000395185781 357417196 /nfs/dbraw/zinc/41/71/96/357417196.db2.gz RSOBSNLODWPPKN-UHFFFAOYSA-N 0 1 222.336 2.137 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCCCF ZINC000397087000 357498354 /nfs/dbraw/zinc/49/83/54/357498354.db2.gz JFEWQGLDXDCYOG-WDEREUQCSA-N 0 1 231.311 2.311 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](CC(C)C)OC ZINC000582970748 357447840 /nfs/dbraw/zinc/44/78/40/357447840.db2.gz QZDFAGWOIMJMRR-NWDGAFQWSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)=CC[N@H+](CCC(=O)[O-])CC(C)C ZINC000583029946 357463164 /nfs/dbraw/zinc/46/31/64/357463164.db2.gz ISMIGFHLECFIGS-UHFFFAOYSA-N 0 1 213.321 2.385 20 0 BEADMN CC(C)=CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000583094333 357478737 /nfs/dbraw/zinc/47/87/37/357478737.db2.gz SRZGJVOJFLDVMI-NSHDSACASA-N 0 1 235.331 2.061 20 0 BEADMN CCCCC[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000396976399 357487876 /nfs/dbraw/zinc/48/78/76/357487876.db2.gz KKOANCVENLKUIR-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)CC2CCCC2)CCO1 ZINC000188637442 357569802 /nfs/dbraw/zinc/56/98/02/357569802.db2.gz BOTKGAHASUZEDZ-ZIAGYGMSSA-N 0 1 241.375 2.038 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000083412055 491112447 /nfs/dbraw/zinc/11/24/47/491112447.db2.gz RXXGNJSREUVAMP-UHFFFAOYSA-N 0 1 201.310 2.075 20 0 BEADMN C[C@]1(O)CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000230376005 357530842 /nfs/dbraw/zinc/53/08/42/357530842.db2.gz FBAJWXZUILRCHY-AWEZNQCLSA-N 0 1 235.327 2.129 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)o1 ZINC000230375397 357531440 /nfs/dbraw/zinc/53/14/40/357531440.db2.gz AIDFATFXEGJHNU-CYBMUJFWSA-N 0 1 223.316 2.325 20 0 BEADMN CCc1nnc(CN2CCC[C@H](C)CC2)o1 ZINC000063308394 357622010 /nfs/dbraw/zinc/62/20/10/357622010.db2.gz YMJGFULSEVMCIR-JTQLQIEISA-N 0 1 223.320 2.254 20 0 BEADMN CCCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000188869820 357592976 /nfs/dbraw/zinc/59/29/76/357592976.db2.gz GQDJBBBMZNYWGG-UHFFFAOYSA-N 0 1 244.298 2.002 20 0 BEADMN CC[C@H]1COCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232143079 357647868 /nfs/dbraw/zinc/64/78/68/357647868.db2.gz GTMXNDKBKOJSCD-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H]1COCCN1C[C@@H](O)CC1CCCC1 ZINC000232143079 357647871 /nfs/dbraw/zinc/64/78/71/357647871.db2.gz GTMXNDKBKOJSCD-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H](C)N(C)Cc1nccc(OC)c1OC ZINC000190846772 357726515 /nfs/dbraw/zinc/72/65/15/357726515.db2.gz QEWLDYSVNIPIAS-JTQLQIEISA-N 0 1 238.331 2.329 20 0 BEADMN COC(=O)[C@H](C)[N@@H+](CC1CCC1)C1CCC1 ZINC000190071377 357688323 /nfs/dbraw/zinc/68/83/23/357688323.db2.gz JIDQIFCIQSIRNO-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)(O)CNCc1ncoc1-c1ccccc1 ZINC000583258955 357737436 /nfs/dbraw/zinc/73/74/36/357737436.db2.gz WVCQUAVZAFGWON-UHFFFAOYSA-N 0 1 246.310 2.202 20 0 BEADMN CCCC[C@H](CC)NCc1nc(N(C)C)no1 ZINC000191895262 357803342 /nfs/dbraw/zinc/80/33/42/357803342.db2.gz WGSWFJRNLFXPCX-JTQLQIEISA-N 0 1 240.351 2.194 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CCCC1 ZINC000191907575 357804177 /nfs/dbraw/zinc/80/41/77/357804177.db2.gz FRMIDEMZAKGZKW-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CCCOC ZINC000191965102 357807080 /nfs/dbraw/zinc/80/70/80/357807080.db2.gz KCUGVQHVNPULCE-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN CCCCN([C@H](C)C(=O)OC)C1CCC1 ZINC000192379768 357830807 /nfs/dbraw/zinc/83/08/07/357830807.db2.gz PZEQGJPYLRHHQT-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN COCCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639926219 357841992 /nfs/dbraw/zinc/84/19/92/357841992.db2.gz VBMONVRJXUTCPA-LLVKDONJSA-N 0 1 209.289 2.309 20 0 BEADMN OCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000064516113 357849801 /nfs/dbraw/zinc/84/98/01/357849801.db2.gz HIDBOVYOFUMSNE-UHFFFAOYSA-N 0 1 223.291 2.030 20 0 BEADMN Cc1cnc(CN[C@H]2CS[C@H](C)C2)s1 ZINC000235421447 357867989 /nfs/dbraw/zinc/86/79/89/357867989.db2.gz CGVCPKIJUYWTQW-VXNVDRBHSA-N 0 1 228.386 2.435 20 0 BEADMN CCN(Cc1ccncc1Cl)CC(C)(C)O ZINC000086274843 357879991 /nfs/dbraw/zinc/87/99/91/357879991.db2.gz XPCFTHFKJXUFLQ-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929539 357890764 /nfs/dbraw/zinc/89/07/64/357890764.db2.gz NOMUSYBTLDDRCN-JQWIXIFHSA-N 0 1 223.316 2.433 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C)sc1C ZINC000235655347 357927209 /nfs/dbraw/zinc/92/72/09/357927209.db2.gz PFPKOSODOBYZLS-PWSUYJOCSA-N 0 1 240.372 2.417 20 0 BEADMN CC/C=C/CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000584416034 357915696 /nfs/dbraw/zinc/91/56/96/357915696.db2.gz IWHJEMYCVCYFBU-ZFAUCMQBSA-N 0 1 225.332 2.385 20 0 BEADMN CCC(F)(F)CNCC[C@@H]1CCOC1 ZINC000628435577 357998170 /nfs/dbraw/zinc/99/81/70/357998170.db2.gz RJZMUWJCTYICKP-SECBINFHSA-N 0 1 207.264 2.048 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000035432244 357992350 /nfs/dbraw/zinc/99/23/50/357992350.db2.gz LRNUULUBDZPHEI-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN CCC(F)(F)CN(C)Cc1cn[nH]c1C ZINC000639972583 358031060 /nfs/dbraw/zinc/03/10/60/358031060.db2.gz WCIAZYURRBAMOX-UHFFFAOYSA-N 0 1 217.263 2.195 20 0 BEADMN CC(C)CC(CC(C)C)NCc1ncn(C)n1 ZINC000222748877 535384231 /nfs/dbraw/zinc/38/42/31/535384231.db2.gz ZUQGLBINCFWQQY-UHFFFAOYSA-N 0 1 238.379 2.366 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])o1)CC(C)C ZINC000037111872 358066067 /nfs/dbraw/zinc/06/60/67/358066067.db2.gz RKNRUWMLCXCLKB-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CC(C)C1CN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640013106 358068131 /nfs/dbraw/zinc/06/81/31/358068131.db2.gz MRVRMTQAJSAPGU-UHFFFAOYSA-N 0 1 243.257 2.075 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000037504799 358078220 /nfs/dbraw/zinc/07/82/20/358078220.db2.gz NTJMBKYSWJWJDY-SECBINFHSA-N 0 1 225.288 2.454 20 0 BEADMN COc1nccc(COc2cc(C)nc(C)c2)n1 ZINC000584580769 358086663 /nfs/dbraw/zinc/08/66/63/358086663.db2.gz INIWTNNKUWQKDM-UHFFFAOYSA-N 0 1 245.282 2.076 20 0 BEADMN CCCN(CCCOC(C)(C)C)CC(=O)OC ZINC000610704229 358087240 /nfs/dbraw/zinc/08/72/40/358087240.db2.gz IOQUYBUINRELQK-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])CC1CC1 ZINC000037925814 358098380 /nfs/dbraw/zinc/09/83/80/358098380.db2.gz DEUOBOQUQZNZIC-UHFFFAOYSA-N 0 1 249.310 2.105 20 0 BEADMN C[N@H+](CC(=O)Nc1cccc(F)c1)CC1CC1 ZINC000052128018 358143526 /nfs/dbraw/zinc/14/35/26/358143526.db2.gz RXTMTMIHCJNLGP-UHFFFAOYSA-N 0 1 236.290 2.106 20 0 BEADMN CN(CC(=O)Nc1cccc(F)c1)CC1CC1 ZINC000052128018 358143531 /nfs/dbraw/zinc/14/35/31/358143531.db2.gz RXTMTMIHCJNLGP-UHFFFAOYSA-N 0 1 236.290 2.106 20 0 BEADMN CCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)[O-])o1 ZINC000584685265 358151291 /nfs/dbraw/zinc/15/12/91/358151291.db2.gz QMCDSVBIXQJPGJ-NSHDSACASA-N 0 1 237.299 2.454 20 0 BEADMN Oc1cccc2c1CCN(CC1=CCCOC1)C2 ZINC000628463406 358172196 /nfs/dbraw/zinc/17/21/96/358172196.db2.gz DSZLNFIYNCKBNG-UHFFFAOYSA-N 0 1 245.322 2.097 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cn[nH]c1 ZINC000222491403 358174209 /nfs/dbraw/zinc/17/42/09/358174209.db2.gz TYZLKXDDXGNIEZ-DTWKUNHWSA-N 0 1 205.261 2.415 20 0 BEADMN C[C@H](C1CCC1)N(C)Cc1cn(CC2CC2)nn1 ZINC000450654898 202227138 /nfs/dbraw/zinc/22/71/38/202227138.db2.gz RTCRJILQOFZEOU-LLVKDONJSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@@H](C)C1CCCCC1 ZINC000450728006 202250136 /nfs/dbraw/zinc/25/01/36/202250136.db2.gz NUCQAPXNRVNDLU-GHMZBOCLSA-N 0 1 236.363 2.499 20 0 BEADMN COC1(CNCc2csc(C)n2)CCC1 ZINC000134661873 325370492 /nfs/dbraw/zinc/37/04/92/325370492.db2.gz JRBSPPBWACJSFL-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN CC(C)[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000336093144 534919438 /nfs/dbraw/zinc/91/94/38/534919438.db2.gz UCKLDJKOTGBDQV-QWHCGFSZSA-N 0 1 240.391 2.077 20 0 BEADMN C[C@@H](CO)[C@H](C)NCc1cc(C(C)(C)C)on1 ZINC000450740761 202250331 /nfs/dbraw/zinc/25/03/31/202250331.db2.gz WKTUAVFFAZJCKE-UWVGGRQHSA-N 0 1 240.347 2.079 20 0 BEADMN C[C@@H]1CCCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450770287 202261787 /nfs/dbraw/zinc/26/17/87/202261787.db2.gz FBOQYBGVMHHWLL-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000134745284 325374863 /nfs/dbraw/zinc/37/48/63/325374863.db2.gz OOCJUHHEDZSZCL-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CCn3nncc3C2)C1 ZINC000578206317 366391571 /nfs/dbraw/zinc/39/15/71/366391571.db2.gz OXZOKONHSFWNPV-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227824192 358364308 /nfs/dbraw/zinc/36/43/08/358364308.db2.gz GHNIGDCGRZGOQN-PWSUYJOCSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cncc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000228612363 358381443 /nfs/dbraw/zinc/38/14/43/358381443.db2.gz CBEFXVFDNFULRU-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227882785 358365325 /nfs/dbraw/zinc/36/53/25/358365325.db2.gz VREXOROBDFGJMZ-MNOVXSKESA-N 0 1 243.347 2.129 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000180404933 366447613 /nfs/dbraw/zinc/44/76/13/366447613.db2.gz RBUSSFJTUSDBSI-AOOOYVTPSA-N 0 1 234.347 2.160 20 0 BEADMN CCCC[C@@H](CC)CC(=O)N1CC(N(C)C)C1 ZINC000134938758 325383685 /nfs/dbraw/zinc/38/36/85/325383685.db2.gz YJYUUFITOLURTL-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](CCO)NCc1c(F)ccc(F)c1Cl ZINC000623426374 358397740 /nfs/dbraw/zinc/39/77/40/358397740.db2.gz LLIUASPWFXYFBH-SSDOTTSWSA-N 0 1 249.688 2.479 20 0 BEADMN CC(C)[C@@H](C)N(C)CC(=O)Nc1nccs1 ZINC000030150138 358446346 /nfs/dbraw/zinc/44/63/46/358446346.db2.gz GSMAATWVYYSZTO-SECBINFHSA-N 0 1 241.360 2.058 20 0 BEADMN Cc1nc(CN[C@@H]2CCS[C@H]2C)cs1 ZINC000220560929 491133307 /nfs/dbraw/zinc/13/33/07/491133307.db2.gz ZVSGZCVUBBBBCY-OIBJUYFYSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1nc(CN[C@H]2CCS[C@@H]2C)cs1 ZINC000220560870 491133316 /nfs/dbraw/zinc/13/33/16/491133316.db2.gz ZVSGZCVUBBBBCY-XCBNKYQSSA-N 0 1 228.386 2.435 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299897850 358420531 /nfs/dbraw/zinc/42/05/31/358420531.db2.gz SOTMGOUWNGMVEY-QJPTWQEYSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299897854 358420662 /nfs/dbraw/zinc/42/06/62/358420662.db2.gz SOTMGOUWNGMVEY-TUAOUCFPSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)[C@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000640154209 358438341 /nfs/dbraw/zinc/43/83/41/358438341.db2.gz CYCKQRSSSZBEGA-CHWSQXEVSA-N 0 1 243.297 2.443 20 0 BEADMN CC[C@]1(C)CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000174195846 134279772 /nfs/dbraw/zinc/27/97/72/134279772.db2.gz LUUOLHLMHGFWDN-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN COC(C)(C)C[C@@H](C)NCc1cc(C)on1 ZINC000044692630 358552303 /nfs/dbraw/zinc/55/23/03/358552303.db2.gz VGCAMPFKDCMVDT-SECBINFHSA-N 0 1 226.320 2.276 20 0 BEADMN C[C@@H](C(=O)N(C)c1ccccc1)N1CCCC1 ZINC000043304349 358536773 /nfs/dbraw/zinc/53/67/73/358536773.db2.gz YMQFDPMWSBGEGT-LBPRGKRZSA-N 0 1 232.327 2.134 20 0 BEADMN CC(C)N(Cc1ccccc1)C(=O)c1ccn[nH]1 ZINC000047990717 358608990 /nfs/dbraw/zinc/60/89/90/358608990.db2.gz OBSXWRGQMYSXAN-UHFFFAOYSA-N 0 1 243.310 2.461 20 0 BEADMN CC(C)C[C@@H]1CCCN1Cc1nnnn1C1CC1 ZINC000130252853 358615407 /nfs/dbraw/zinc/61/54/07/358615407.db2.gz KVUXVUQJCXGNPG-LBPRGKRZSA-N 0 1 249.362 2.019 20 0 BEADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)C1CC1 ZINC000048695888 358648621 /nfs/dbraw/zinc/64/86/21/358648621.db2.gz DKRPOQYTLNARHD-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1coc2ccccc12 ZINC000131056721 358659198 /nfs/dbraw/zinc/65/91/98/358659198.db2.gz RMXACJIJWHDMBX-VIFPVBQESA-N 0 1 233.267 2.338 20 0 BEADMN C[C@H](C(N)=O)N(C)Cc1cccc2ccccc21 ZINC000049236924 358676836 /nfs/dbraw/zinc/67/68/36/358676836.db2.gz RLTIFPUYFIEGOY-LLVKDONJSA-N 0 1 242.322 2.145 20 0 BEADMN CC(C)CSCCN[C@H](C)c1nccn1C ZINC000132342679 358719750 /nfs/dbraw/zinc/71/97/50/358719750.db2.gz SNRQEYGSNCUDDV-LLVKDONJSA-N 0 1 241.404 2.460 20 0 BEADMN CCCNC(=O)[C@H](C)N(C)CCc1ccccc1 ZINC000051999448 358769089 /nfs/dbraw/zinc/76/90/89/358769089.db2.gz RRYXJSAVQWYMBO-ZDUSSCGKSA-N 0 1 248.370 2.076 20 0 BEADMN COc1cccc(NC(=O)c2cn[nH]c2C)c1C ZINC001641446229 1172249881 /nfs/dbraw/zinc/24/98/81/1172249881.db2.gz VMKNAYDIGRDERQ-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN Cc1ccnc(NCCc2cnc(C)cn2)c1 ZINC000578223906 366462031 /nfs/dbraw/zinc/46/20/31/366462031.db2.gz WHRSJTFRTOTBMT-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN c1cc(NC[C@@H]2CCCOC2)nc2c1CCC2 ZINC000134288986 358785369 /nfs/dbraw/zinc/78/53/69/358785369.db2.gz OJEKJBAQJLJDIB-NSHDSACASA-N 0 1 232.327 2.409 20 0 BEADMN CN(Cc1cccc(F)c1)Cc1ccnc(N)c1 ZINC000052718160 358791744 /nfs/dbraw/zinc/79/17/44/358791744.db2.gz YAOQIVWWYMLPEG-UHFFFAOYSA-N 0 1 245.301 2.435 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCCC[C@H](SC)C1 ZINC000134577658 358796313 /nfs/dbraw/zinc/79/63/13/358796313.db2.gz PRMJVERDIFLEPZ-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1nc2c(s1)CCC2 ZINC000134649485 358800298 /nfs/dbraw/zinc/80/02/98/358800298.db2.gz YPRKXJWEZLJXLE-DTWKUNHWSA-N 0 1 238.356 2.071 20 0 BEADMN COc1ncccc1CN1CCC(C)CC1 ZINC000176452476 134291865 /nfs/dbraw/zinc/29/18/65/134291865.db2.gz OIPZOVXGGCPOFJ-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN Cc1ccncc1CNCc1cccnc1 ZINC000135434930 358838693 /nfs/dbraw/zinc/83/86/93/358838693.db2.gz ZRNPGNVNPQSSHR-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000058874273 358914831 /nfs/dbraw/zinc/91/48/31/358914831.db2.gz IKQKLZGAQXGRMF-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN Cn1cnnc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000640220696 358894832 /nfs/dbraw/zinc/89/48/32/358894832.db2.gz WMCHOPZVVBSLOR-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN Cc1[nH]ncc1CNc1ccccc1N(C)C ZINC000057716684 358906973 /nfs/dbraw/zinc/90/69/73/358906973.db2.gz ZBLWEXHYQXQAGP-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ncc[nH]1 ZINC000308828943 491138346 /nfs/dbraw/zinc/13/83/46/491138346.db2.gz FLPJQWOIPNVGOE-NKWVEPMBSA-N 0 1 221.226 2.259 20 0 BEADMN Cc1cnc(CN2CCC[C@H]2C(C)(C)O)s1 ZINC000180648660 366529394 /nfs/dbraw/zinc/52/93/94/366529394.db2.gz PUXWHJDARPVMBO-JTQLQIEISA-N 0 1 240.372 2.187 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1 ZINC000299974257 358958291 /nfs/dbraw/zinc/95/82/91/358958291.db2.gz BTHUPHPPFSIVBM-MJBXVCDLSA-N 0 1 245.322 2.372 20 0 BEADMN NC(=O)Nc1ccc(CNCc2ccco2)cc1 ZINC000069676778 359032605 /nfs/dbraw/zinc/03/26/05/359032605.db2.gz NWYOMGZHCCIGNF-UHFFFAOYSA-N 0 1 245.282 2.060 20 0 BEADMN C[C@@H](NCc1ccccc1)c1cnccn1 ZINC000070024411 359039035 /nfs/dbraw/zinc/03/90/35/359039035.db2.gz WKSIEWIBBMVFFW-LLVKDONJSA-N 0 1 213.284 2.327 20 0 BEADMN N[C@@H](C(=O)Nc1ccccc1O)c1ccccc1 ZINC000070216756 359044206 /nfs/dbraw/zinc/04/42/06/359044206.db2.gz JBIGHGFCMOSVBW-CYBMUJFWSA-N 0 1 242.278 2.031 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1cc(F)ccc1F ZINC000070965779 359067728 /nfs/dbraw/zinc/06/77/28/359067728.db2.gz FBRROKBQETXADF-WPRPVWTQSA-N 0 1 227.254 2.404 20 0 BEADMN Cn1ccnc1CNC/C=C/c1ccccc1 ZINC000071140809 359072652 /nfs/dbraw/zinc/07/26/52/359072652.db2.gz GTOLJDIEHUTABE-VMPITWQZSA-N 0 1 227.311 2.223 20 0 BEADMN C[C@H]1CCCN1Cc1cn2ccsc2n1 ZINC000072875054 359092440 /nfs/dbraw/zinc/09/24/40/359092440.db2.gz NMHSEEKWQHVXBU-VIFPVBQESA-N 0 1 221.329 2.380 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1nccn1C ZINC000070445532 359055741 /nfs/dbraw/zinc/05/57/41/359055741.db2.gz DVMHPVBHDXRRIA-NSHDSACASA-N 0 1 237.347 2.030 20 0 BEADMN COC[C@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000247076022 359192616 /nfs/dbraw/zinc/19/26/16/359192616.db2.gz WVRKZHNDGVKGLY-GXTWGEPZSA-N 0 1 235.327 2.095 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)CC[C@H]2C)n1 ZINC000246554859 359146545 /nfs/dbraw/zinc/14/65/45/359146545.db2.gz KJGXGCKBCDDXTL-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)CC[C@H]2C)n1 ZINC000246554859 359146548 /nfs/dbraw/zinc/14/65/48/359146548.db2.gz KJGXGCKBCDDXTL-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000246554859 359146552 /nfs/dbraw/zinc/14/65/52/359146552.db2.gz KJGXGCKBCDDXTL-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@@H](COC)C1 ZINC000246738571 359160346 /nfs/dbraw/zinc/16/03/46/359160346.db2.gz MONHEQJTMOTJTF-HUUCEWRRSA-N 0 1 249.354 2.485 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@H](C)C(C)C ZINC000246779428 359163819 /nfs/dbraw/zinc/16/38/19/359163819.db2.gz PIDTWUZGPZCYJS-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H]1CN(CCOC(C)(C)C)C[C@@H](C)O1 ZINC000247595764 359237408 /nfs/dbraw/zinc/23/74/08/359237408.db2.gz OGEGSWHDRIWVCG-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@]1(C)CCCN([C@H](C)C(=O)OC)C1 ZINC000247699365 359242149 /nfs/dbraw/zinc/24/21/49/359242149.db2.gz XLALGBRCOZJZEK-PWSUYJOCSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000247353162 359215851 /nfs/dbraw/zinc/21/58/51/359215851.db2.gz PLONZJZIILXWKY-BZPMIXESSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@H](C(=O)N(C)C)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000247353162 359215854 /nfs/dbraw/zinc/21/58/54/359215854.db2.gz PLONZJZIILXWKY-BZPMIXESSA-N 0 1 246.354 2.156 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000247445554 359221057 /nfs/dbraw/zinc/22/10/57/359221057.db2.gz IYXIXZPIOYBJAO-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN OCCCN(Cc1cc(F)ccc1F)C1CC1 ZINC000404218897 359287236 /nfs/dbraw/zinc/28/72/36/359287236.db2.gz IWPRRKLMYUBDRH-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@](C)(CC)C1 ZINC000075998582 359263017 /nfs/dbraw/zinc/26/30/17/359263017.db2.gz XSXKKLNVWHNVCA-WCQYABFASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)Cc1noc(CN2CC[C@@H](C)[C@@H]2C)n1 ZINC000248368271 359271444 /nfs/dbraw/zinc/27/14/44/359271444.db2.gz UZZPPNMYAMLCGR-MNOVXSKESA-N 0 1 237.347 2.498 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000286574442 359363961 /nfs/dbraw/zinc/36/39/61/359363961.db2.gz CABKIUOMQDCCIG-NSHDSACASA-N 0 1 243.310 2.481 20 0 BEADMN COC[C@H](NC1CSC1)c1ccccc1 ZINC000308912866 491140102 /nfs/dbraw/zinc/14/01/02/491140102.db2.gz FCMCJCCAIOFAQY-LBPRGKRZSA-N 0 1 223.341 2.079 20 0 BEADMN Cc1nnc(SCc2ccc(Cl)nc2)[nH]1 ZINC000026866782 359347328 /nfs/dbraw/zinc/34/73/28/359347328.db2.gz JNRPIGHUKWBVGI-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2ccc(Cl)nc2)n1 ZINC000026866782 359347332 /nfs/dbraw/zinc/34/73/32/359347332.db2.gz JNRPIGHUKWBVGI-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CCSCCN1CCCCC[C@H]1C(=O)OC ZINC000611576952 359396529 /nfs/dbraw/zinc/39/65/29/359396529.db2.gz FSNDELSJQMZBOF-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CC[C@@H](c2ccco2)C1 ZINC000611660937 359407421 /nfs/dbraw/zinc/40/74/21/359407421.db2.gz WUUDRXBCTNACMM-DGCLKSJQSA-N 0 1 249.310 2.021 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)CC1 ZINC000613834204 363658505 /nfs/dbraw/zinc/65/85/05/363658505.db2.gz JDHFIKAVMNSTOI-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccc2nc(CNC(=O)CCCF)[nH]c2c1 ZINC000611741168 359439922 /nfs/dbraw/zinc/43/99/22/359439922.db2.gz PWYYSOJANMJFOZ-UHFFFAOYSA-N 0 1 249.289 2.237 20 0 BEADMN CN(Cc1ccc(Cl)cn1)C[C@@H]1CCCO1 ZINC000580427929 359539845 /nfs/dbraw/zinc/53/98/45/359539845.db2.gz CIDGZXSEPMLNSZ-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN CC1(C)CC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000612016045 359600807 /nfs/dbraw/zinc/60/08/07/359600807.db2.gz MOPKUMGQORPSBA-VIFPVBQESA-N 0 1 244.298 2.333 20 0 BEADMN NCc1cc(C(=O)NCC2(C3CC3)CCC2)co1 ZINC000423882845 192843796 /nfs/dbraw/zinc/84/37/96/192843796.db2.gz OVGOETZYWFXYTD-UHFFFAOYSA-N 0 1 248.326 2.048 20 0 BEADMN FC1(F)CC[C@@H](NCc2cscn2)C1 ZINC000306321786 359609077 /nfs/dbraw/zinc/60/90/77/359609077.db2.gz UCCKMEMAFGZJKU-SSDOTTSWSA-N 0 1 218.272 2.421 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380858707 359725727 /nfs/dbraw/zinc/72/57/27/359725727.db2.gz INEHOGMSCMHRKT-ZYHUDNBSSA-N 0 1 227.348 2.465 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)C2(N(C)C)CC2)C1 ZINC000612295082 359774004 /nfs/dbraw/zinc/77/40/04/359774004.db2.gz LHGUFRKOTQOTOM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)CNC(=O)CN1CCC1=CCCCC1 ZINC000450921741 202310651 /nfs/dbraw/zinc/31/06/51/202310651.db2.gz JYHMPPMBRGUFBC-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1cnn(C)c1CNCc1ccc(C)c(F)c1 ZINC000352257739 366553688 /nfs/dbraw/zinc/55/36/88/366553688.db2.gz WSJZVGKJFZJNMJ-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN C[C@@H](NCCC[C@H](C)O)c1c(F)cncc1F ZINC000450993558 202328826 /nfs/dbraw/zinc/32/88/26/202328826.db2.gz WAVNGZAOUNEAGZ-DTWKUNHWSA-N 0 1 244.285 2.171 20 0 BEADMN c1nnsc1CN1CC[C@H](CC2CC2)C1 ZINC000451074169 202349978 /nfs/dbraw/zinc/34/99/78/202349978.db2.gz ORDDXBMMOIYFNR-SNVBAGLBSA-N 0 1 223.345 2.160 20 0 BEADMN CCOC(=O)CCCN1CCC[C@](C)(F)C1 ZINC000451118151 202355021 /nfs/dbraw/zinc/35/50/21/202355021.db2.gz XHSWNSGALZCBDI-LBPRGKRZSA-N 0 1 231.311 2.154 20 0 BEADMN C[C@]1(F)CCCN(CCO[C@H]2CCCCO2)C1 ZINC000451115253 202355072 /nfs/dbraw/zinc/35/50/72/202355072.db2.gz NUFXRZKITVAZMW-STQMWFEESA-N 0 1 245.338 2.354 20 0 BEADMN CC(C)COCCN1CCC[C@](C)(F)C1 ZINC000451118683 202356302 /nfs/dbraw/zinc/35/63/02/202356302.db2.gz YQKUNQTYKNOYEF-LBPRGKRZSA-N 0 1 217.328 2.483 20 0 BEADMN CCOC(=O)CCCN1CCC[C@@](C)(F)C1 ZINC000451118150 202356823 /nfs/dbraw/zinc/35/68/23/202356823.db2.gz XHSWNSGALZCBDI-GFCCVEGCSA-N 0 1 231.311 2.154 20 0 BEADMN CCCc1ccc(CN(C)C(C)(C)C(N)=O)cc1 ZINC000451136099 202362119 /nfs/dbraw/zinc/36/21/19/202362119.db2.gz OFHRIBMGRZZABC-UHFFFAOYSA-N 0 1 248.370 2.335 20 0 BEADMN COc1ccc(CCN2CC[C@@H](F)C2)cc1 ZINC000451183295 202371764 /nfs/dbraw/zinc/37/17/64/202371764.db2.gz IRALKAJPVVDIKI-GFCCVEGCSA-N 0 1 223.291 2.282 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC000612600896 359907185 /nfs/dbraw/zinc/90/71/85/359907185.db2.gz MXXCMGVLQNMNNI-SKDRFNHKSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CC[C@H](C)C1 ZINC000040718148 359909851 /nfs/dbraw/zinc/90/98/51/359909851.db2.gz MDOVMIGRAWEMEZ-QMMMGPOBSA-N 0 1 227.739 2.224 20 0 BEADMN NC1(c2nc([C@H]3CCCO3)no2)CCCCC1 ZINC000087801180 359930283 /nfs/dbraw/zinc/93/02/83/359930283.db2.gz KCBOHKBVKUAVKU-SECBINFHSA-N 0 1 237.303 2.039 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC(C)(C)CO ZINC000451244027 202387231 /nfs/dbraw/zinc/38/72/31/202387231.db2.gz MBBHXLMAOWISHQ-UHFFFAOYSA-N 0 1 248.326 2.278 20 0 BEADMN CC[N@@H+](CCc1ccc(F)c(F)c1)C1COC1 ZINC000451285487 202392703 /nfs/dbraw/zinc/39/27/03/202392703.db2.gz NAHQTXJIQWVART-UHFFFAOYSA-N 0 1 241.281 2.228 20 0 BEADMN CCN(CCc1ccc(F)c(F)c1)C1COC1 ZINC000451285487 202392707 /nfs/dbraw/zinc/39/27/07/202392707.db2.gz NAHQTXJIQWVART-UHFFFAOYSA-N 0 1 241.281 2.228 20 0 BEADMN C[C@H](C(=O)Nc1ccc2[nH]nnc2c1)C1CCC1 ZINC000578731812 366633733 /nfs/dbraw/zinc/63/37/33/366633733.db2.gz HQIYMXVHSHFHCF-QMMMGPOBSA-N 0 1 244.298 2.333 20 0 BEADMN COc1nccnc1CNCCCC(C)(C)C ZINC000578953564 366678320 /nfs/dbraw/zinc/67/83/20/366678320.db2.gz MVJSDYOPJSUFJA-UHFFFAOYSA-N 0 1 237.347 2.401 20 0 BEADMN Cc1nc(CN(C[C@H](C)O)C(C)C)sc1C ZINC000088598633 359968176 /nfs/dbraw/zinc/96/81/76/359968176.db2.gz PDJXHEGDVXQORH-VIFPVBQESA-N 0 1 242.388 2.351 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000578905799 366672664 /nfs/dbraw/zinc/67/26/64/366672664.db2.gz JNGCDLKDAVEXAB-FZMZJTMJSA-N 0 1 249.358 2.237 20 0 BEADMN O=C(NCc1cnc[nH]1)c1coc2ccccc12 ZINC000088759116 359975477 /nfs/dbraw/zinc/97/54/77/359975477.db2.gz ORIAGZJDXIIHDU-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CCC[C@H]2O)n1 ZINC000226268241 360034527 /nfs/dbraw/zinc/03/45/27/360034527.db2.gz WEYOMRXPPZFACF-IVZWLZJFSA-N 0 1 226.345 2.016 20 0 BEADMN CCn1nc(CN[C@@H](C)COC)c2ccccc21 ZINC000089173921 359996885 /nfs/dbraw/zinc/99/68/85/359996885.db2.gz SBARVEZPRAFJSO-NSHDSACASA-N 0 1 247.342 2.181 20 0 BEADMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)C12CCC2 ZINC000092040889 360147574 /nfs/dbraw/zinc/14/75/74/360147574.db2.gz SJCQEVKPFDQNBR-OLZOCXBDSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]cn2)C12CCC2 ZINC000092040889 360147579 /nfs/dbraw/zinc/14/75/79/360147579.db2.gz SJCQEVKPFDQNBR-OLZOCXBDSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)Cc2c[nH]cn2)C12CCC2 ZINC000092040889 360147583 /nfs/dbraw/zinc/14/75/83/360147583.db2.gz SJCQEVKPFDQNBR-OLZOCXBDSA-N 0 1 249.358 2.189 20 0 BEADMN CS[C@H]1CCCC[N@H+](Cc2c[nH]cn2)C1 ZINC000092064116 360148345 /nfs/dbraw/zinc/14/83/45/360148345.db2.gz SREWIXIZYLOOFM-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN CS[C@H]1CCCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000092064116 360148347 /nfs/dbraw/zinc/14/83/47/360148347.db2.gz SREWIXIZYLOOFM-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN CCN(C)c1ccc(CNCC(C)(C)F)cn1 ZINC000631188626 360130579 /nfs/dbraw/zinc/13/05/79/360130579.db2.gz DUCFAFHZCFGDQY-UHFFFAOYSA-N 0 1 239.338 2.375 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)c3ccc[nH]3)ccc12 ZINC000091827922 360131885 /nfs/dbraw/zinc/13/18/85/360131885.db2.gz WEIDUWBBAFZHJS-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC(C)(F)CNCc1cnc(C2CC2)nc1 ZINC000631188633 360133160 /nfs/dbraw/zinc/13/31/60/360133160.db2.gz HLPPHSKNXYEYAJ-UHFFFAOYSA-N 0 1 223.295 2.192 20 0 BEADMN CCc1nn(C)cc1CNCc1cccs1 ZINC000092355410 360164406 /nfs/dbraw/zinc/16/44/06/360164406.db2.gz CKUNRUIHQJWRFN-UHFFFAOYSA-N 0 1 235.356 2.334 20 0 BEADMN CCc1nn(C)cc1CN[C@@H](C)c1cccnc1 ZINC000092364902 360164570 /nfs/dbraw/zinc/16/45/70/360164570.db2.gz AZZMSPQJIQWBQY-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN CSCCN(C)Cc1cnn(C(C)(C)C)c1 ZINC000093509682 360254803 /nfs/dbraw/zinc/25/48/03/360254803.db2.gz IKGRRGZVUVDFFW-UHFFFAOYSA-N 0 1 241.404 2.433 20 0 BEADMN CCCNC(=O)CNCc1cccc(C2CC2)c1 ZINC000094518349 360310566 /nfs/dbraw/zinc/31/05/66/360310566.db2.gz PFCFNEBIMBZLBW-UHFFFAOYSA-N 0 1 246.354 2.180 20 0 BEADMN CC1(C)CCN(C(=O)c2ccc(CN)o2)CC1 ZINC000094571599 360312363 /nfs/dbraw/zinc/31/23/63/360312363.db2.gz WDRNYBNTCIEFAO-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)o1 ZINC000094572756 360313079 /nfs/dbraw/zinc/31/30/79/360313079.db2.gz LMXMMVBZTIPFEX-CMPLNLGQSA-N 0 1 248.326 2.143 20 0 BEADMN CN(CCC(F)(F)F)C[C@@H]1CCCO1 ZINC000098136907 360389378 /nfs/dbraw/zinc/38/93/78/360389378.db2.gz MRNFSTJVWFMAAI-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN CN(C)c1nc(CNC2CC(C)(C)C2)cs1 ZINC000309463078 491149760 /nfs/dbraw/zinc/14/97/60/491149760.db2.gz OLTNEPQDWBZYQA-UHFFFAOYSA-N 0 1 239.388 2.487 20 0 BEADMN CCc1noc(CN(CC2CC2)CC2CC2)n1 ZINC000115564091 370670637 /nfs/dbraw/zinc/67/06/37/370670637.db2.gz XSUWXFVVHXJHEU-UHFFFAOYSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1C ZINC000063117925 360740356 /nfs/dbraw/zinc/74/03/56/360740356.db2.gz JVCFWERYFBZJLT-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN C/C=C\CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000629035583 360800731 /nfs/dbraw/zinc/80/07/31/360800731.db2.gz BHFDPJOQHFONLU-SDQPKGBYSA-N 0 1 246.354 2.372 20 0 BEADMN C/C=C\CNC(=O)c1sccc1CN(C)C ZINC000629035880 360801664 /nfs/dbraw/zinc/80/16/64/360801664.db2.gz FIAAMVRNMFNJLV-PLNGDYQASA-N 0 1 238.356 2.116 20 0 BEADMN Cc1cccc([C@@H](NC(=O)CN(C)C)C(C)C)c1 ZINC000628970374 360777699 /nfs/dbraw/zinc/77/76/99/360777699.db2.gz IAYSWZXRGOAMDP-HNNXBMFYSA-N 0 1 248.370 2.370 20 0 BEADMN Fc1ccc(CCNCc2ccon2)cc1 ZINC000309585526 491151534 /nfs/dbraw/zinc/15/15/34/491151534.db2.gz SCMVICOTMCXHLK-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN CCc1nnc(S[C@@H](C)C2CCOCC2)[nH]1 ZINC000629111325 360882119 /nfs/dbraw/zinc/88/21/19/360882119.db2.gz IWLULHIJMNFQHV-QMMMGPOBSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)C2CCOCC2)n1 ZINC000629111325 360882122 /nfs/dbraw/zinc/88/21/22/360882122.db2.gz IWLULHIJMNFQHV-QMMMGPOBSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1nnc(SCc2ccncc2C)[nH]1 ZINC000629112536 360882130 /nfs/dbraw/zinc/88/21/30/360882130.db2.gz YMGGKCXDMCLBGR-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2ccncc2C)n1 ZINC000629112536 360882133 /nfs/dbraw/zinc/88/21/33/360882133.db2.gz YMGGKCXDMCLBGR-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN Cc1cc([C@@H](C)NCC[C@H]2CCCO2)no1 ZINC000309619360 491152611 /nfs/dbraw/zinc/15/26/11/491152611.db2.gz CSTAMSCBWHAZNP-GHMZBOCLSA-N 0 1 224.304 2.203 20 0 BEADMN CS[C@@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000414627093 200756474 /nfs/dbraw/zinc/75/64/74/200756474.db2.gz YUONVJGTQHOHGV-QMMMGPOBSA-N 0 1 241.360 2.092 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1csnn1 ZINC000133406149 491153372 /nfs/dbraw/zinc/15/33/72/491153372.db2.gz GUEIJTWKZUHIDD-WCBMZHEXSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000629361200 361009967 /nfs/dbraw/zinc/00/99/67/361009967.db2.gz ALUCNFNAFDKEDR-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361594 361010661 /nfs/dbraw/zinc/01/06/61/361010661.db2.gz JIACWZACUHQQKB-JOYOIKCWSA-N 0 1 231.295 2.356 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361595 361010726 /nfs/dbraw/zinc/01/07/26/361010726.db2.gz JIACWZACUHQQKB-SKDRFNHKSA-N 0 1 231.295 2.356 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629361684 361011051 /nfs/dbraw/zinc/01/10/51/361011051.db2.gz KTEXVENMLVLGTQ-JQWIXIFHSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000629363730 361014318 /nfs/dbraw/zinc/01/43/18/361014318.db2.gz IBLHXHPLWSZRJS-OSMZGAPFSA-N 0 1 245.322 2.326 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629365070 361018580 /nfs/dbraw/zinc/01/85/80/361018580.db2.gz SNXLVUQYZBBPRD-HRDYMLBCSA-N 0 1 235.274 2.073 20 0 BEADMN C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000629365410 361018605 /nfs/dbraw/zinc/01/86/05/361018605.db2.gz VWKLXJYFCBYDRU-CMPLNLGQSA-N 0 1 239.359 2.465 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000629372936 361022151 /nfs/dbraw/zinc/02/21/51/361022151.db2.gz FOPLBHQVTBJGNQ-JHJVBQTASA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629374196 361023475 /nfs/dbraw/zinc/02/34/75/361023475.db2.gz UBMICNWDNGVNTC-WOPDTQHZSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])CCC[N@H+]1CCCc2sccc2C1 ZINC000309665952 491154131 /nfs/dbraw/zinc/15/41/31/491154131.db2.gz HUJVPUFZXCRFGJ-UHFFFAOYSA-N 0 1 239.340 2.361 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000065962511 361084633 /nfs/dbraw/zinc/08/46/33/361084633.db2.gz RHZYTPAJEFUOGK-UHFFFAOYSA-N 0 1 228.380 2.220 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1CO ZINC000191730220 361092401 /nfs/dbraw/zinc/09/24/01/361092401.db2.gz UOKSUAUMIMINJK-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1CO ZINC000191730220 361092407 /nfs/dbraw/zinc/09/24/07/361092407.db2.gz UOKSUAUMIMINJK-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN CCC[C@@H](C)C(=O)Nc1cccc2[nH]nnc21 ZINC000640380958 361190204 /nfs/dbraw/zinc/19/02/04/361190204.db2.gz ZYGPNQFHNAEVJL-MRVPVSSYSA-N 0 1 232.287 2.333 20 0 BEADMN C[C@H](C(=O)Nc1cccc2[nH]nnc21)C1CCC1 ZINC000640378721 361191610 /nfs/dbraw/zinc/19/16/10/361191610.db2.gz FVEJKWOGZICJGJ-QMMMGPOBSA-N 0 1 244.298 2.333 20 0 BEADMN Cc1nc(CNC[C@H](C)C(F)(F)F)[nH]c1C ZINC000575003499 361293787 /nfs/dbraw/zinc/29/37/87/361293787.db2.gz OVZFGGPNRLZALM-LURJTMIESA-N 0 1 235.253 2.315 20 0 BEADMN CCc1nc(C)c(CN(C)[C@@H]2CCSC2)o1 ZINC000428288387 201005979 /nfs/dbraw/zinc/00/59/79/201005979.db2.gz RNXYSRVDLICNNQ-SNVBAGLBSA-N 0 1 240.372 2.483 20 0 BEADMN C[C@H](NC(=O)CN(C)C)C(C)(C)c1ccccc1 ZINC000171074213 361317828 /nfs/dbraw/zinc/31/78/28/361317828.db2.gz UZGSKIVMUGJCEH-LBPRGKRZSA-N 0 1 248.370 2.031 20 0 BEADMN CSCCN(C)[C@@H](C)c1cnc(C)cn1 ZINC000428375809 201012092 /nfs/dbraw/zinc/01/20/92/201012092.db2.gz CXBHXMZNEJEBEV-JTQLQIEISA-N 0 1 225.361 2.141 20 0 BEADMN CC[C@H](C)N(C)Cc1n[nH]c(C(C)C)n1 ZINC000428388431 201013035 /nfs/dbraw/zinc/01/30/35/201013035.db2.gz MTFMGRUXKLJGQR-VIFPVBQESA-N 0 1 210.325 2.158 20 0 BEADMN CCc1nc(C)c(CN(C)CCSC)o1 ZINC000428381709 201013964 /nfs/dbraw/zinc/01/39/64/201013964.db2.gz PMHDMSPCTULYMT-UHFFFAOYSA-N 0 1 228.361 2.340 20 0 BEADMN CCc1nc(C)c(CN2CCC(OC)CC2)o1 ZINC000428448371 201018719 /nfs/dbraw/zinc/01/87/19/201018719.db2.gz PZYVHDFSMHHQOI-UHFFFAOYSA-N 0 1 238.331 2.156 20 0 BEADMN CC(C)CN(C)Cc1n[nH]c(C(C)C)n1 ZINC000428462257 201020197 /nfs/dbraw/zinc/02/01/97/201020197.db2.gz NRHSLQPQXZEQDJ-UHFFFAOYSA-N 0 1 210.325 2.016 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000428474165 201022328 /nfs/dbraw/zinc/02/23/28/201022328.db2.gz QUBSECBBHHSBER-SECBINFHSA-N 0 1 229.707 2.280 20 0 BEADMN C[C@H](CCn1cccn1)NC(C)(C)C(F)F ZINC000309775286 491156262 /nfs/dbraw/zinc/15/62/62/491156262.db2.gz PMXVLKQJTCYESK-SECBINFHSA-N 0 1 231.290 2.295 20 0 BEADMN C[C@@](O)(CNCc1cocn1)C1CCCCC1 ZINC000428535213 201025859 /nfs/dbraw/zinc/02/58/59/201025859.db2.gz PUEMDUSYAUPYJM-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN COc1cccc(C[C@@H](C)NCc2cocn2)c1 ZINC000428875765 201047361 /nfs/dbraw/zinc/04/73/61/201047361.db2.gz WWYURPBEVQQGOQ-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CCCNCc1cocn1 ZINC000428873978 201047781 /nfs/dbraw/zinc/04/77/81/201047781.db2.gz XGCAHVBFXQDRBQ-DGCLKSJQSA-N 0 1 238.331 2.096 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(F)c(F)c2)[nH]1 ZINC000614187403 363748238 /nfs/dbraw/zinc/74/82/38/363748238.db2.gz WRWCSWDRGZLCNH-UHFFFAOYSA-N 0 1 224.210 2.073 20 0 BEADMN CCc1nc(C)c(CN[C@]2(C)CCO[C@@H]2C)o1 ZINC000428940691 201050614 /nfs/dbraw/zinc/05/06/14/201050614.db2.gz RJBVJZUKEKEDSP-ZWNOBZJWSA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@H](C)CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640608256 361329628 /nfs/dbraw/zinc/32/96/28/361329628.db2.gz OQXMEEYBDNEKET-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640616773 361333022 /nfs/dbraw/zinc/33/30/22/361333022.db2.gz QXEIAKXNDDQWHF-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1cocn1 ZINC000428849015 201045922 /nfs/dbraw/zinc/04/59/22/201045922.db2.gz JKYPJFNNGGPMCP-QWHCGFSZSA-N 0 1 238.331 2.358 20 0 BEADMN CCCN(CC(N)=O)Cc1cc(C)sc1C ZINC000429126841 201070272 /nfs/dbraw/zinc/07/02/72/201070272.db2.gz KTPUJSDQXFECBP-UHFFFAOYSA-N 0 1 240.372 2.062 20 0 BEADMN CC(C)CCCN1CCN(CC(F)F)CC1 ZINC000429043025 201060299 /nfs/dbraw/zinc/06/02/99/201060299.db2.gz DZDQGDMVNZQZBP-UHFFFAOYSA-N 0 1 234.334 2.305 20 0 BEADMN Fc1ccc(Cl)cc1CN[C@@H]1CCOC1 ZINC000162713496 361360827 /nfs/dbraw/zinc/36/08/27/361360827.db2.gz ORDJXMDQRKOVHK-SNVBAGLBSA-N 0 1 229.682 2.358 20 0 BEADMN CCS(=O)(=O)C[C@@H](C)N(C)CCCC(C)C ZINC000429050693 201065004 /nfs/dbraw/zinc/06/50/04/201065004.db2.gz UXTSOFKRNNZCDV-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN C[C@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000579324833 366759529 /nfs/dbraw/zinc/75/95/29/366759529.db2.gz WJGKOHIOIGOIAM-UWVGGRQHSA-N 0 1 223.291 2.126 20 0 BEADMN CN(Cc1cn2c(n1)CCCC2)CC1CCC1 ZINC000429528531 201112768 /nfs/dbraw/zinc/11/27/68/201112768.db2.gz MMOZWZYNECYBFI-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H]1CCC[C@H](CCN2CCc3nn[nH]c3C2)C1 ZINC000429307237 201097819 /nfs/dbraw/zinc/09/78/19/201097819.db2.gz NZNMICLKBJYKGO-NWDGAFQWSA-N 0 1 248.374 2.379 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2CCO[C@@H]2C)o1 ZINC000429355678 201103888 /nfs/dbraw/zinc/10/38/88/201103888.db2.gz SGJHATUDHRQYQX-GHMZBOCLSA-N 0 1 238.331 2.203 20 0 BEADMN CCCCCN1CC[C@H](C)[S@@](=O)CC1 ZINC000429556943 201116206 /nfs/dbraw/zinc/11/62/06/201116206.db2.gz FJUNZVWIJGRNDN-FZMZJTMJSA-N 0 1 217.378 2.020 20 0 BEADMN C[C@H](NCCCC1(O)CCC1)c1cscn1 ZINC000579461090 366812304 /nfs/dbraw/zinc/81/23/04/366812304.db2.gz FHZJGODGOYMUDM-JTQLQIEISA-N 0 1 240.372 2.489 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CC[C@H](C)C2)o1 ZINC000429585852 201121301 /nfs/dbraw/zinc/12/13/01/201121301.db2.gz UNZJTTXOKZDGAI-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN Cc1cnccc1CN1CC[C@H](OC(F)F)C1 ZINC000579435013 366793441 /nfs/dbraw/zinc/79/34/41/366793441.db2.gz YOMZLMPAIKHLLA-NSHDSACASA-N 0 1 242.269 2.204 20 0 BEADMN CC[C@H]1CCN1Cc1cccc(O)c1OC ZINC000430191748 201150318 /nfs/dbraw/zinc/15/03/18/201150318.db2.gz HLOZGJAMUXLDDV-NSHDSACASA-N 0 1 221.300 2.385 20 0 BEADMN Cc1cn[nH]c1CNC1(C(F)F)CCCC1 ZINC000309919677 491158202 /nfs/dbraw/zinc/15/82/02/491158202.db2.gz RGRZGDUQXCHLJG-UHFFFAOYSA-N 0 1 229.274 2.386 20 0 BEADMN NC1(c2noc(-c3ccco3)n2)CCCC1 ZINC000041052997 181336360 /nfs/dbraw/zinc/33/63/60/181336360.db2.gz NKZKTZLUKJMZPK-UHFFFAOYSA-N 0 1 219.244 2.058 20 0 BEADMN NC1(c2noc(-c3ccoc3)n2)CCCCC1 ZINC000041153320 181336506 /nfs/dbraw/zinc/33/65/06/181336506.db2.gz AJOQKRQLHJZHPF-UHFFFAOYSA-N 0 1 233.271 2.448 20 0 BEADMN NC1(c2noc(CCc3ccco3)n2)CCCC1 ZINC000041152933 181336062 /nfs/dbraw/zinc/33/60/62/181336062.db2.gz YBUKWZULSOMRQB-UHFFFAOYSA-N 0 1 247.298 2.176 20 0 BEADMN NC1(c2noc([C@@H]3CCCO3)n2)CCCCC1 ZINC000041153491 181336125 /nfs/dbraw/zinc/33/61/25/181336125.db2.gz VMAKGZLEYZYNAK-VIFPVBQESA-N 0 1 237.303 2.039 20 0 BEADMN NC1(c2noc([C@H]3CCCO3)n2)CCCCC1 ZINC000041153494 181337037 /nfs/dbraw/zinc/33/70/37/181337037.db2.gz VMAKGZLEYZYNAK-SECBINFHSA-N 0 1 237.303 2.039 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)n[nH]1 ZINC000629612664 361498905 /nfs/dbraw/zinc/49/89/05/361498905.db2.gz GDPUZYFMWMCANC-HZMBPMFUSA-N 0 1 247.342 2.377 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccc(F)cc1F ZINC000309965325 491158646 /nfs/dbraw/zinc/15/86/46/491158646.db2.gz NCRGKCDZYLOFFD-NWDGAFQWSA-N 0 1 227.254 2.232 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1ncnn1C(C)C ZINC000434544819 201226652 /nfs/dbraw/zinc/22/66/52/201226652.db2.gz OYHXHZGFECQPDX-GFCCVEGCSA-N 0 1 236.363 2.479 20 0 BEADMN CCC(CC)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153597066 201246458 /nfs/dbraw/zinc/24/64/58/201246458.db2.gz AMIXNQQVVXYSEV-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CCCc1noc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000153268997 201228609 /nfs/dbraw/zinc/22/86/09/201228609.db2.gz NRQDMCSYTRRYFP-GHMZBOCLSA-N 0 1 235.331 2.254 20 0 BEADMN C[N@H+]1CCC[C@@H]1CCSc1nncs1 ZINC000153921485 201253052 /nfs/dbraw/zinc/25/30/52/201253052.db2.gz IWQNINBHKJZXCB-MRVPVSSYSA-N 0 1 229.374 2.115 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153957239 201254305 /nfs/dbraw/zinc/25/43/05/201254305.db2.gz GOQIHQZXOJCTEI-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN Cn1cc(CN2CC[C@@H](CC(C)(C)C)C2)nn1 ZINC000448554636 201257115 /nfs/dbraw/zinc/25/71/15/201257115.db2.gz MCJUIJRWJBMBMH-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN Cc1oncc1-c1ccc([C@H]2COCCN2)cc1 ZINC000629713262 361652062 /nfs/dbraw/zinc/65/20/62/361652062.db2.gz KULWBHXLSLDSFB-CQSZACIVSA-N 0 1 244.294 2.311 20 0 BEADMN Cc1cc[nH]c1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000436121605 201309665 /nfs/dbraw/zinc/30/96/65/201309665.db2.gz JBVHKYIJQSPIGG-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CCN1C[C@H](C)N(c2ncc(C)s2)C[C@H]1C ZINC000436414518 201324398 /nfs/dbraw/zinc/32/43/98/201324398.db2.gz WCIZCCKBGZSQLA-ZJUUUORDSA-N 0 1 239.388 2.370 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC=C(C)C1 ZINC000436259748 201315436 /nfs/dbraw/zinc/31/54/36/201315436.db2.gz KCOWSRXVRRXUTI-OLZOCXBDSA-N 0 1 238.375 2.332 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1CC1=NOCC1 ZINC001641921924 1172308973 /nfs/dbraw/zinc/30/89/73/1172308973.db2.gz YIEGHJSVTRQJRL-LLVKDONJSA-N 0 1 230.311 2.210 20 0 BEADMN Cc1nc([C@@H](C)NCC2(O)CCCC2)cs1 ZINC000083463903 491161834 /nfs/dbraw/zinc/16/18/34/491161834.db2.gz PPVGRAKDFBXUSC-SECBINFHSA-N 0 1 240.372 2.407 20 0 BEADMN CCc1nc(CNC[C@@H]2CC[C@H](C)O2)cs1 ZINC000328221803 363858707 /nfs/dbraw/zinc/85/87/07/363858707.db2.gz LSNGJQQZUUAENB-ONGXEEELSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)Cc2ncccn2)C1 ZINC000191942474 363886291 /nfs/dbraw/zinc/88/62/91/363886291.db2.gz AVBICNHAMVJDEO-VXGBXAGGSA-N 0 1 219.332 2.487 20 0 BEADMN C[C@H]1CCC[C@H](N(C)Cc2ncccn2)C1 ZINC000191942469 363886686 /nfs/dbraw/zinc/88/66/86/363886686.db2.gz AVBICNHAMVJDEO-RYUDHWBXSA-N 0 1 219.332 2.487 20 0 BEADMN C[N@@H+](CCOC(C)(C)C)C1(C(=O)[O-])CCCC1 ZINC000379765125 363893205 /nfs/dbraw/zinc/89/32/05/363893205.db2.gz HQWVEZORMDSRDZ-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H]1c2ccccc2CCN1CC1=NOCC1 ZINC001641984774 1172314427 /nfs/dbraw/zinc/31/44/27/1172314427.db2.gz PMAGFMSRIYKQJZ-NSHDSACASA-N 0 1 230.311 2.382 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1cccnc1 ZINC000630406320 364140081 /nfs/dbraw/zinc/14/00/81/364140081.db2.gz QQFCQPKKLUSUGJ-UHFFFAOYSA-N 0 1 230.271 2.180 20 0 BEADMN CC(C)c1cccc(NC(=O)Cc2nc[nH]n2)c1 ZINC000630486457 364180865 /nfs/dbraw/zinc/18/08/65/364180865.db2.gz LUSCDTZRHBJTJS-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000170753116 364161444 /nfs/dbraw/zinc/16/14/44/364161444.db2.gz OAHPIGBYIMVPPI-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000170753114 364161575 /nfs/dbraw/zinc/16/15/75/364161575.db2.gz OAHPIGBYIMVPPI-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1ccc(Cl)s1 ZINC000170754761 364166662 /nfs/dbraw/zinc/16/66/62/364166662.db2.gz KWIZJSYRUJXZET-ZETCQYMHSA-N 0 1 246.763 2.140 20 0 BEADMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cccnc1 ZINC000631718981 364178755 /nfs/dbraw/zinc/17/87/55/364178755.db2.gz KRTLGQLIDNAGQC-NRPADANISA-N 0 1 248.248 2.044 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1ccn(C)c1 ZINC000092328163 541345585 /nfs/dbraw/zinc/34/55/85/541345585.db2.gz IFJUUYJYOLAVSD-SECBINFHSA-N 0 1 233.315 2.481 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1 ZINC000074994317 364301561 /nfs/dbraw/zinc/30/15/61/364301561.db2.gz BCMWQCUGCPCGER-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CNC(C)(C)c1cn([C@H]2CCC(C)(C)C2)nn1 ZINC000630602679 364318371 /nfs/dbraw/zinc/31/83/71/364318371.db2.gz DFXJXWVOPSZMMH-JTQLQIEISA-N 0 1 236.363 2.484 20 0 BEADMN O=C(CN1CCCC1)NCCC1CCCCC1 ZINC000076425912 364390991 /nfs/dbraw/zinc/39/09/91/364390991.db2.gz ZKHGLANTRZKYAI-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000134735692 364412275 /nfs/dbraw/zinc/41/22/75/364412275.db2.gz UZIFCWZJFAGQGX-RKDXNWHRSA-N 0 1 229.707 2.136 20 0 BEADMN COC[C@@H](C)NCc1ncc(C(C)C)s1 ZINC000134839353 364416705 /nfs/dbraw/zinc/41/67/05/364416705.db2.gz ULFHWHGISVCJGC-SECBINFHSA-N 0 1 228.361 2.391 20 0 BEADMN CC(C)c1ccccc1NC(=O)Cc1nc[nH]n1 ZINC000630670495 364428798 /nfs/dbraw/zinc/42/87/98/364428798.db2.gz RFSMWMIOGRBQEW-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CCC1(CC)[C@@H](NCc2ccon2)C[C@@H]1OC ZINC000181853274 366851515 /nfs/dbraw/zinc/85/15/15/366851515.db2.gz HQALDKLXLPTVDR-RYUDHWBXSA-N 0 1 238.331 2.358 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H](C)c1nc(COC)no1 ZINC000181867052 366852550 /nfs/dbraw/zinc/85/25/50/366852550.db2.gz DNKAUORASMUTLL-ZJUUUORDSA-N 0 1 241.335 2.255 20 0 BEADMN Oc1cccnc1CSc1nc(C2CC2)n[nH]1 ZINC000579549713 366860722 /nfs/dbraw/zinc/86/07/22/366860722.db2.gz QWJRHCPLYSDPAW-UHFFFAOYSA-N 0 1 248.311 2.075 20 0 BEADMN O=C(CC1CSC1)Nc1ccc2nc[nH]c2c1 ZINC000630842540 364592709 /nfs/dbraw/zinc/59/27/09/364592709.db2.gz LMHAKHQSLUBLAO-UHFFFAOYSA-N 0 1 247.323 2.255 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(OC)cc1 ZINC000615223508 364644784 /nfs/dbraw/zinc/64/47/84/364644784.db2.gz MQEJHNBLQPTLHR-UHFFFAOYSA-N 0 1 245.282 2.233 20 0 BEADMN CN(C)C1(C(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000615233753 364649511 /nfs/dbraw/zinc/64/95/11/364649511.db2.gz MJOVKQVFZBSIBM-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1nc(CNCC[C@@H](C)OC)cs1 ZINC000263828156 364719018 /nfs/dbraw/zinc/71/90/18/364719018.db2.gz TWHXHSRXHWYRPR-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CCc1nc(CNC[C@@H](OC)C(C)C)cs1 ZINC000266622492 364724851 /nfs/dbraw/zinc/72/48/51/364724851.db2.gz MAQWIUAJZITLMZ-LLVKDONJSA-N 0 1 242.388 2.466 20 0 BEADMN CC[C@@H](N[C@H](C)c1cscn1)C(C)(C)O ZINC000294892547 364778348 /nfs/dbraw/zinc/77/83/48/364778348.db2.gz FCNNYLCSFWWSAH-PSASIEDQSA-N 0 1 228.361 2.343 20 0 BEADMN CCc1nc(CNc2nccc3occc32)n[nH]1 ZINC000294985647 364779475 /nfs/dbraw/zinc/77/94/75/364779475.db2.gz PYECGHNVMIJEBO-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN CO[C@H](C)Cn1c(C)nc2c1CCCC2 ZINC000167421614 364792945 /nfs/dbraw/zinc/79/29/45/364792945.db2.gz OUYKHGJLRANQQT-SECBINFHSA-N 0 1 208.305 2.105 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCOC1CCCCCC1 ZINC000430669756 541384779 /nfs/dbraw/zinc/38/47/79/541384779.db2.gz KXMURXMPGKHHBM-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cnc(CNC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000235610990 541391083 /nfs/dbraw/zinc/39/10/83/541391083.db2.gz WLAXDULIVLNCOU-IUCAKERBSA-N 0 1 224.304 2.029 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000573871712 364936825 /nfs/dbraw/zinc/93/68/25/364936825.db2.gz UNKUBONCIYCAGR-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H](O)CCCNc1ncc(Cl)s1 ZINC000389347884 541402238 /nfs/dbraw/zinc/40/22/38/541402238.db2.gz MRZBWILVIPEGHD-SSDOTTSWSA-N 0 1 234.752 2.181 20 0 BEADMN FC1(CN[C@H]2COCc3ccccc32)CC1 ZINC000573906093 364941391 /nfs/dbraw/zinc/94/13/91/364941391.db2.gz SWUVXDCFIGKQHW-LBPRGKRZSA-N 0 1 221.275 2.350 20 0 BEADMN c1nc(C2CC2)c(CN2CCCOCC2)s1 ZINC000336582105 541429251 /nfs/dbraw/zinc/42/92/51/541429251.db2.gz APPNQGIWYJYNLT-UHFFFAOYSA-N 0 1 238.356 2.243 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NOC1CCCC1 ZINC000252733012 325693577 /nfs/dbraw/zinc/69/35/77/325693577.db2.gz XMROIXFWZNXUSU-GUDRVLHUSA-N 0 1 241.331 2.036 20 0 BEADMN C[C@H]1CC[C@H]([N@H+](C)Cc2ncccc2[O-])C1 ZINC000574198891 365008390 /nfs/dbraw/zinc/00/83/90/365008390.db2.gz HLSALHCUJNQIEH-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ncccc2[O-])C1 ZINC000574198891 365008394 /nfs/dbraw/zinc/00/83/94/365008394.db2.gz HLSALHCUJNQIEH-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cc(C(C)=O)no1 ZINC000574216749 365013569 /nfs/dbraw/zinc/01/35/69/365013569.db2.gz DHDNNMMKPYCSAI-ONGXEEELSA-N 0 1 236.315 2.498 20 0 BEADMN Cc1nc(CN[C@H]2C[C@@H](OC(C)C)C2)[nH]c1C ZINC000574220654 365014625 /nfs/dbraw/zinc/01/46/25/365014625.db2.gz OIEBSVNXUYHGSL-TXEJJXNPSA-N 0 1 237.347 2.072 20 0 BEADMN C[C@]12C[C@H]1CCC[C@@H]2NCc1ncccn1 ZINC000574220650 365014867 /nfs/dbraw/zinc/01/48/67/365014867.db2.gz OGGNDIGLPYZTJQ-MDZLAQPJSA-N 0 1 217.316 2.145 20 0 BEADMN CC(C)C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574322545 365037466 /nfs/dbraw/zinc/03/74/66/365037466.db2.gz QEPCPLCOHNCYAQ-KGLIPLIRSA-N 0 1 247.338 2.443 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccc(Cl)cn1 ZINC000574611001 365101233 /nfs/dbraw/zinc/10/12/33/365101233.db2.gz FYUXAIKSAJLRSA-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000574697008 365124797 /nfs/dbraw/zinc/12/47/97/365124797.db2.gz GIVRIUPJNZKJTQ-OCCSQVGLSA-N 0 1 248.326 2.329 20 0 BEADMN COc1cccc(CSCCc2c[nH]nn2)c1 ZINC000574711018 365127653 /nfs/dbraw/zinc/12/76/53/365127653.db2.gz CLXACFNHQOZFEP-UHFFFAOYSA-N 0 1 249.339 2.289 20 0 BEADMN Cc1ncc(CNCc2cnc(C)cc2C)n1C ZINC000574824230 365155370 /nfs/dbraw/zinc/15/53/70/365155370.db2.gz RGDUJYGSLNWEIN-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ncccc2O)C(C)(C)C1 ZINC000574844458 365158983 /nfs/dbraw/zinc/15/89/83/365158983.db2.gz JNPKOZZSIFXQAY-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1C[N@H+](Cc2ncccc2[O-])C(C)(C)C1 ZINC000574844458 365158988 /nfs/dbraw/zinc/15/89/88/365158988.db2.gz JNPKOZZSIFXQAY-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ncccc2[O-])C(C)(C)C1 ZINC000574844458 365158993 /nfs/dbraw/zinc/15/89/93/365158993.db2.gz JNPKOZZSIFXQAY-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN CCc1cc(CNC[C@@H](O)CCC(C)C)on1 ZINC000574804167 365147434 /nfs/dbraw/zinc/14/74/34/365147434.db2.gz RIJHVIICCSSPAQ-LBPRGKRZSA-N 0 1 240.347 2.124 20 0 BEADMN Cc1ccnc(NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000443946410 193032219 /nfs/dbraw/zinc/03/22/19/193032219.db2.gz LREBFWWRHASRTL-UHFFFAOYSA-N 0 1 248.374 2.319 20 0 BEADMN NCc1cc(C(=O)NCC2CCCCC2)co1 ZINC000444134722 193036002 /nfs/dbraw/zinc/03/60/02/193036002.db2.gz BLSYVJWNVKFSEK-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN Cc1cc(C(=O)N(CCC(C)C)C2CC2)n[nH]1 ZINC000068467890 370807441 /nfs/dbraw/zinc/80/74/41/370807441.db2.gz ZXQTZMBAMQXRFM-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ncc(CNC2(CF)CCC2)s1 ZINC000575122848 365211205 /nfs/dbraw/zinc/21/12/05/365211205.db2.gz GYWVWXHNGGMLJO-UHFFFAOYSA-N 0 1 214.309 2.433 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000444464380 193047228 /nfs/dbraw/zinc/04/72/28/193047228.db2.gz IURHGLFOYKJUNJ-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000444492917 193048110 /nfs/dbraw/zinc/04/81/10/193048110.db2.gz ZOFTWWLWFFRBPN-QWHCGFSZSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CCO[C@@H]1CCCCO1)Cc1ccoc1 ZINC000444592697 193052361 /nfs/dbraw/zinc/05/23/61/193052361.db2.gz GQLJKWFBGSOXNK-CYBMUJFWSA-N 0 1 239.315 2.255 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000575323454 365289310 /nfs/dbraw/zinc/28/93/10/365289310.db2.gz VLKXLAJCHHECCU-ZDUSSCGKSA-N 0 1 235.327 2.270 20 0 BEADMN CCc1nc(NC(=O)c2cccc(C)c2F)n[nH]1 ZINC000182292294 366882042 /nfs/dbraw/zinc/88/20/42/366882042.db2.gz JHWHJWJGIRSYNF-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cccc(C)c2F)n1 ZINC000182292294 366882048 /nfs/dbraw/zinc/88/20/48/366882048.db2.gz JHWHJWJGIRSYNF-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1nc(NC(=O)c2ccc(C)cc2F)n[nH]1 ZINC000182260229 366879444 /nfs/dbraw/zinc/87/94/44/366879444.db2.gz LMFSUAGKEVUYER-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(C)cc2F)n1 ZINC000182260229 366879451 /nfs/dbraw/zinc/87/94/51/366879451.db2.gz LMFSUAGKEVUYER-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)n[nH]1 ZINC000172999163 365392955 /nfs/dbraw/zinc/39/29/55/365392955.db2.gz AVPQRSQWUHNYFV-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC1(C)C ZINC000575933398 365420803 /nfs/dbraw/zinc/42/08/03/365420803.db2.gz LKCZXBQJEZOGPS-ZYHUDNBSSA-N 0 1 249.358 2.283 20 0 BEADMN CCc1nc(CNCc2cccc(CC)c2)n[nH]1 ZINC000579600413 366901051 /nfs/dbraw/zinc/90/10/51/366901051.db2.gz IUBONXOCMIBABG-UHFFFAOYSA-N 0 1 244.342 2.219 20 0 BEADMN C[C@@H](CO)CSc1nc(-c2ccccc2)n[nH]1 ZINC000154695765 541472571 /nfs/dbraw/zinc/47/25/71/541472571.db2.gz YGTDIYPBTYXBPI-VIFPVBQESA-N 0 1 249.339 2.192 20 0 BEADMN CC[C@@H]1CCC[C@H](CN(C)Cc2nnc[nH]2)C1 ZINC000183085072 366975750 /nfs/dbraw/zinc/97/57/50/366975750.db2.gz XRRYRWZWILODSO-NEPJUHHUSA-N 0 1 236.363 2.453 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnn(CC(C)C)c1 ZINC000183135184 366979511 /nfs/dbraw/zinc/97/95/11/366979511.db2.gz BJJOWKMEMSOEDQ-GFCCVEGCSA-N 0 1 239.363 2.006 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C2CC2)[nH]c1C ZINC000579735364 367000240 /nfs/dbraw/zinc/00/02/40/367000240.db2.gz ZBZZTBGBMTXWOX-KGLIPLIRSA-N 0 1 249.358 2.074 20 0 BEADMN CSCC[C@@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000579763522 367002300 /nfs/dbraw/zinc/00/23/00/367002300.db2.gz BMHHRGDPNNBVHY-SNVBAGLBSA-N 0 1 240.372 2.361 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000579763522 367002305 /nfs/dbraw/zinc/00/23/05/367002305.db2.gz BMHHRGDPNNBVHY-SNVBAGLBSA-N 0 1 240.372 2.361 20 0 BEADMN CC[C@@H]1CCCN(c2ccncc2C(N)=O)CC1 ZINC000184118802 367064120 /nfs/dbraw/zinc/06/41/20/367064120.db2.gz YGODALPZPMETCS-LLVKDONJSA-N 0 1 247.342 2.197 20 0 BEADMN NC(=O)c1cnccc1N[C@@H]1CC12CCCCC2 ZINC000184144068 367066418 /nfs/dbraw/zinc/06/64/18/367066418.db2.gz QRTXBBGOYSXQRK-GFCCVEGCSA-N 0 1 245.326 2.315 20 0 BEADMN CCc1nc(CN2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000185183080 367125691 /nfs/dbraw/zinc/12/56/91/367125691.db2.gz BERGEEHGKCEQJY-SNVBAGLBSA-N 0 1 242.326 2.491 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccnn1C ZINC000185594301 367136356 /nfs/dbraw/zinc/13/63/56/367136356.db2.gz DDEMZGZJMDURFK-CMPLNLGQSA-N 0 1 207.321 2.041 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC000579967513 367107006 /nfs/dbraw/zinc/10/70/06/367107006.db2.gz NENLDGPNGOTASY-MRVPVSSYSA-N 0 1 241.253 2.370 20 0 BEADMN CCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)C(C)C ZINC000579970060 367108057 /nfs/dbraw/zinc/10/80/57/367108057.db2.gz YBPCQXTZGHUJSC-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)C[C@@H]1CCN([C@@H](C)c2nccc(N)n2)C1 ZINC000580841494 367184951 /nfs/dbraw/zinc/18/49/51/367184951.db2.gz PRAQQPOOVUWKSH-RYUDHWBXSA-N 0 1 248.374 2.318 20 0 BEADMN CCCCCN(CC(N)=O)Cc1ccc(C)cc1 ZINC000193473715 367178133 /nfs/dbraw/zinc/17/81/33/367178133.db2.gz RWVQHCKVEUVWHM-UHFFFAOYSA-N 0 1 248.370 2.473 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000580842310 367184778 /nfs/dbraw/zinc/18/47/78/367184778.db2.gz CGZUHBQHIMUGOZ-RYUDHWBXSA-N 0 1 249.358 2.237 20 0 BEADMN CCn1nccc1NC(=O)c1cn[nH]c1C(C)C ZINC000622345725 370859068 /nfs/dbraw/zinc/85/90/68/370859068.db2.gz OEIXPVXOVPBYRR-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN C[C@H](F)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000580904140 367203517 /nfs/dbraw/zinc/20/35/17/367203517.db2.gz DCMMFPXBGIRNMS-IUCAKERBSA-N 0 1 217.284 2.062 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380426898 367206351 /nfs/dbraw/zinc/20/63/51/367206351.db2.gz UCDLCMCOCTUSRU-AXFHLTTASA-N 0 1 225.332 2.218 20 0 BEADMN CC[N@@H+](CC(C)C)[C@@H](CC(C)C)C(=O)[O-] ZINC000580956024 367216614 /nfs/dbraw/zinc/21/66/14/367216614.db2.gz UQYQJKGVZJWZSY-NSHDSACASA-N 0 1 215.337 2.464 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000380666111 367270192 /nfs/dbraw/zinc/27/01/92/367270192.db2.gz YXKBTGGMSUTYEX-XVKPBYJWSA-N 0 1 223.247 2.060 20 0 BEADMN Cc1cnc([C@H](C)N2[C@@H](C)C[C@@H]2C)cn1 ZINC000581048424 367244358 /nfs/dbraw/zinc/24/43/58/367244358.db2.gz HIFGPGSNNBFJAX-DCAQKATOSA-N 0 1 205.305 2.329 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@@H]2C)n1C ZINC000194143266 367254970 /nfs/dbraw/zinc/25/49/70/367254970.db2.gz KJMWPERIOLHSJD-JQWIXIFHSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)C[C@H]1CC=CCC1 ZINC000581201527 367293316 /nfs/dbraw/zinc/29/33/16/367293316.db2.gz NCXTZQREDGKJRK-RYUDHWBXSA-N 0 1 246.358 2.238 20 0 BEADMN CSc1nn(C[C@@H]2CCC[C@H](C)C2)c(=O)[nH]1 ZINC000194582553 367306369 /nfs/dbraw/zinc/30/63/69/367306369.db2.gz CJVDJDPQWRCUIU-DTWKUNHWSA-N 0 1 241.360 2.120 20 0 BEADMN CC[C@@H](F)CN[C@@H](CO)c1ccccc1C ZINC000381399322 367394058 /nfs/dbraw/zinc/39/40/58/367394058.db2.gz QLVPZDWFIOJQLD-YPMHNXCESA-N 0 1 225.307 2.366 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381550653 367428831 /nfs/dbraw/zinc/42/88/31/367428831.db2.gz UOGGKGNFDBNATK-UWVGGRQHSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)[O-])o1 ZINC000381181192 367360354 /nfs/dbraw/zinc/36/03/54/367360354.db2.gz WLQRSIYFBPQNIT-SNVBAGLBSA-N 0 1 223.272 2.200 20 0 BEADMN CCN(Cc1cc(C(C)=O)no1)CC1CCC1 ZINC000581437165 367471488 /nfs/dbraw/zinc/47/14/88/367471488.db2.gz CNMAANZKVDARGU-UHFFFAOYSA-N 0 1 236.315 2.499 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000382027249 367480267 /nfs/dbraw/zinc/48/02/67/367480267.db2.gz SKRIIWYHAQSXFD-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CCCC1(F)F ZINC000382150620 367490996 /nfs/dbraw/zinc/49/09/96/367490996.db2.gz OGUNRIKOTPDFPI-VIFPVBQESA-N 0 1 235.274 2.217 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000381556394 367429590 /nfs/dbraw/zinc/42/95/90/367429590.db2.gz HAMQTCQDVIBRIJ-ONGXEEELSA-N 0 1 247.285 2.218 20 0 BEADMN CS[C@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000382912664 367567447 /nfs/dbraw/zinc/56/74/47/367567447.db2.gz AFPIYCPKECQASU-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1C ZINC000382312622 367507146 /nfs/dbraw/zinc/50/71/46/367507146.db2.gz QMLCGGCLNDIOBE-GMTAPVOTSA-N 0 1 225.311 2.351 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CC2(F)F)n1 ZINC000581488802 367518831 /nfs/dbraw/zinc/51/88/31/367518831.db2.gz ZJEBEEADERJEJS-NKWVEPMBSA-N 0 1 231.246 2.238 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000383006341 367584258 /nfs/dbraw/zinc/58/42/58/367584258.db2.gz CWKXYHKNBWFUKP-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN Cc1ccnc([C@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000581615732 367636101 /nfs/dbraw/zinc/63/61/01/367636101.db2.gz RDLMBUYQOJPRQR-LBPRGKRZSA-N 0 1 242.326 2.103 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cscn1 ZINC000384734117 367723493 /nfs/dbraw/zinc/72/34/93/367723493.db2.gz KGVMTMFTKGBVOK-IMSYWVGJSA-N 0 1 226.345 2.360 20 0 BEADMN CC/C=C\CNCc1cc(C(=O)OC)co1 ZINC000384760228 367727647 /nfs/dbraw/zinc/72/76/47/367727647.db2.gz AJYVJYNVXFGAMC-PLNGDYQASA-N 0 1 223.272 2.122 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccncc1C ZINC000384857666 367744002 /nfs/dbraw/zinc/74/40/02/367744002.db2.gz NHBZCEQRNDPDEY-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN C/C=C/CNCc1cc(OC)cc(C)n1 ZINC000384892131 367751615 /nfs/dbraw/zinc/75/16/15/367751615.db2.gz UFYNLOCZDRLUBK-SNAWJCMRSA-N 0 1 206.289 2.064 20 0 BEADMN Cc1cnc(CN[C@H](C)CC(C)(C)O)s1 ZINC000384891316 367752122 /nfs/dbraw/zinc/75/21/22/367752122.db2.gz KYIKGIXWHDOFMA-MRVPVSSYSA-N 0 1 228.361 2.091 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](C)O[C@H]2C)sc1C ZINC000384904106 367754736 /nfs/dbraw/zinc/75/47/36/367754736.db2.gz NUTHBSKXASFRFU-POZPLHJXSA-N 0 1 240.372 2.415 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000384927458 367758418 /nfs/dbraw/zinc/75/84/18/367758418.db2.gz RYDAEDRCRHRVHJ-NTZNESFSSA-N 0 1 237.347 2.120 20 0 BEADMN Cc1cccc(C[N@@H+](C)CCCC(=O)[O-])c1F ZINC000384687048 367716656 /nfs/dbraw/zinc/71/66/56/367716656.db2.gz VYZOIRAXDXMABU-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN Cc1csc(CN[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000385208993 367809209 /nfs/dbraw/zinc/80/92/09/367809209.db2.gz RNWFRHHRLAAKMQ-KXUCPTDWSA-N 0 1 226.345 2.107 20 0 BEADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCSC)CC1CC1 ZINC000581836034 367840074 /nfs/dbraw/zinc/84/00/74/367840074.db2.gz RJBHKTMTLHEURF-LBPRGKRZSA-N 0 1 245.388 2.315 20 0 BEADMN CC[C@](C)(C(=O)[O-])[N@@H+](CCSC)CC1CC1 ZINC000581836033 367841038 /nfs/dbraw/zinc/84/10/38/367841038.db2.gz RJBHKTMTLHEURF-GFCCVEGCSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cccc(C[N@H+](C)C2(C(=O)[O-])CCCC2)n1 ZINC000386370117 367958524 /nfs/dbraw/zinc/95/85/24/367958524.db2.gz RMMRGULOEHJCRO-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCc1ccc(C(=O)N2CCCN(C)CC2)cc1 ZINC000020501399 367969818 /nfs/dbraw/zinc/96/98/18/367969818.db2.gz JECSZBSLLQTTJY-UHFFFAOYSA-N 0 1 246.354 2.027 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000386837039 368025547 /nfs/dbraw/zinc/02/55/47/368025547.db2.gz AEHJYQSZWPWYIN-RKDXNWHRSA-N 0 1 242.388 2.300 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2C)CCN1 ZINC000582001459 368118508 /nfs/dbraw/zinc/11/85/08/368118508.db2.gz SEMUMFZKWUKFHS-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000566362684 326037624 /nfs/dbraw/zinc/03/76/24/326037624.db2.gz WGCXZYDVZROSHC-LBPRGKRZSA-N 0 1 223.316 2.283 20 0 BEADMN CCC[C@H](CC)NC(=O)CN1CCC(C)(C)C1 ZINC000582011923 368152302 /nfs/dbraw/zinc/15/23/02/368152302.db2.gz QNJOBFZEJHWCAS-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN FC(F)(F)c1csc(NCC2(F)CC2)n1 ZINC000630958206 368152353 /nfs/dbraw/zinc/15/23/53/368152353.db2.gz NKROKWIVBUYHOA-UHFFFAOYSA-N 0 1 240.225 2.498 20 0 BEADMN FC(F)(F)c1csc(=NCC2(F)CC2)[nH]1 ZINC000630958206 368152361 /nfs/dbraw/zinc/15/23/61/368152361.db2.gz NKROKWIVBUYHOA-UHFFFAOYSA-N 0 1 240.225 2.498 20 0 BEADMN CCCCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000031495474 368251315 /nfs/dbraw/zinc/25/13/15/368251315.db2.gz QSVVIHKUSYIAGZ-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000615695116 368209461 /nfs/dbraw/zinc/20/94/61/368209461.db2.gz VRZJNNOZMMPZOJ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000032355407 368257524 /nfs/dbraw/zinc/25/75/24/368257524.db2.gz SXTMYRKDRHKNRW-VIFPVBQESA-N 0 1 237.347 2.479 20 0 BEADMN CCc1cc(C(=O)N(CC2CC2)C(C)C)n[nH]1 ZINC000615795256 368315271 /nfs/dbraw/zinc/31/52/71/368315271.db2.gz FUMWYKXHRZWYLA-UHFFFAOYSA-N 0 1 235.331 2.233 20 0 BEADMN CCCc1noc(CN2CC[C@@H](C)[C@@H]2C)n1 ZINC000177898832 134304540 /nfs/dbraw/zinc/30/45/40/134304540.db2.gz PVGAOPROLZHQBZ-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566443713 326047973 /nfs/dbraw/zinc/04/79/73/326047973.db2.gz AHDRAQYFDLNVDO-JTQLQIEISA-N 0 1 237.347 2.235 20 0 BEADMN C[N@@H+](Cc1cccnc1)C1(C(=O)[O-])CCCCC1 ZINC000041879393 368295154 /nfs/dbraw/zinc/29/51/54/368295154.db2.gz XXPYBDUVUIXNHJ-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN CCN(CC(=O)NCC1CC1)Cc1ccccc1 ZINC000042286654 368302566 /nfs/dbraw/zinc/30/25/66/368302566.db2.gz HHZZBPQDGXWZDQ-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN Cc1ccsc1CN(C)C(=O)c1ccn[nH]1 ZINC000042394363 368307465 /nfs/dbraw/zinc/30/74/65/368307465.db2.gz HTCOHOJLEUVRQF-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000078793990 368439495 /nfs/dbraw/zinc/43/94/95/368439495.db2.gz XCPDZWSMUZGFNR-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN CC(C)CN(C)CC(=O)Nc1ccccc1 ZINC000047611523 368465162 /nfs/dbraw/zinc/46/51/62/368465162.db2.gz NHMIXSBMXJPPJS-UHFFFAOYSA-N 0 1 220.316 2.213 20 0 BEADMN CCCCN(C)Cc1ccoc1C(=O)OC ZINC000057941532 368504162 /nfs/dbraw/zinc/50/41/62/368504162.db2.gz XKJPBOVXXAXZGT-UHFFFAOYSA-N 0 1 225.288 2.298 20 0 BEADMN Cc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000058034016 368505118 /nfs/dbraw/zinc/50/51/18/368505118.db2.gz RQPMTZJMLAIPQP-UHFFFAOYSA-N 0 1 220.316 2.274 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000058034016 368505121 /nfs/dbraw/zinc/50/51/21/368505121.db2.gz RQPMTZJMLAIPQP-UHFFFAOYSA-N 0 1 220.316 2.274 20 0 BEADMN COc1ccc([C@H](C)NCC2=NOCC2)cc1 ZINC001642489822 1172366371 /nfs/dbraw/zinc/36/63/71/1172366371.db2.gz FVYDTDMGFFEXFE-JTQLQIEISA-N 0 1 234.299 2.122 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)CN(CC)C1CC1 ZINC000153616114 326103763 /nfs/dbraw/zinc/10/37/63/326103763.db2.gz ACLAQAWXLXBGBR-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000061757756 368569143 /nfs/dbraw/zinc/56/91/43/368569143.db2.gz RQJGUXQDFNVFHC-CYBMUJFWSA-N 0 1 234.343 2.158 20 0 BEADMN Cc1scc(CNCc2cncn2C)c1C ZINC000399813914 368604140 /nfs/dbraw/zinc/60/41/40/368604140.db2.gz NRTSFVYDRDVKRH-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN CC(C)CN(C)Cc1nc(-c2ccco2)no1 ZINC000065961532 368636220 /nfs/dbraw/zinc/63/62/20/368636220.db2.gz XNRZKJYAPRPMKJ-UHFFFAOYSA-N 0 1 235.287 2.417 20 0 BEADMN COCCCN(C)Cc1cc(F)ccc1OC ZINC000066380020 368646140 /nfs/dbraw/zinc/64/61/40/368646140.db2.gz SSXCWHZVBODEJV-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCC[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000082501624 368689788 /nfs/dbraw/zinc/68/97/88/368689788.db2.gz WVFAZLLFTQRNJT-UHFFFAOYSA-N 0 1 213.302 2.288 20 0 BEADMN C[C@@H](CN(C)C(=O)c1cnc[nH]1)c1ccccc1 ZINC000067177969 368681370 /nfs/dbraw/zinc/68/13/70/368681370.db2.gz CDOCNNGZEPOEKC-NSHDSACASA-N 0 1 243.310 2.285 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000069874682 368759282 /nfs/dbraw/zinc/75/92/82/368759282.db2.gz KNJZDOOPHBZAND-SNVBAGLBSA-N 0 1 237.299 2.298 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412257 368774344 /nfs/dbraw/zinc/77/43/44/368774344.db2.gz GHNIGDCGRZGOQN-ZYHUDNBSSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CCCCC1 ZINC000086258818 368876591 /nfs/dbraw/zinc/87/65/91/368876591.db2.gz OFRAYJNWKYUFHO-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000087256541 368891595 /nfs/dbraw/zinc/89/15/95/368891595.db2.gz RUZOONOCEKWVHW-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000084054934 368846722 /nfs/dbraw/zinc/84/67/22/368846722.db2.gz PSDUGTIUUIYOLF-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cnc(CN[C@H](CO)CCC(C)C)s1 ZINC000623646309 368967018 /nfs/dbraw/zinc/96/70/18/368967018.db2.gz BPFGAYHCMAZMGQ-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN C[C@H]1CCC(C)(C)N1C(=O)CCc1cnc[nH]1 ZINC000616164910 368999147 /nfs/dbraw/zinc/99/91/47/368999147.db2.gz KMLFBMANMRMEIH-JTQLQIEISA-N 0 1 235.331 2.132 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1[C@@H](C)CCC1(C)C ZINC000616179038 369011811 /nfs/dbraw/zinc/01/18/11/369011811.db2.gz MIXAIYFGETYBTA-MNOVXSKESA-N 0 1 249.358 2.378 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H](C2CCCCC2)C1 ZINC000618182886 369080017 /nfs/dbraw/zinc/08/00/17/369080017.db2.gz QDVWJAOBKGDUHE-LBPRGKRZSA-N 0 1 247.342 2.452 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(C)CCCC1 ZINC000567403723 326184558 /nfs/dbraw/zinc/18/45/58/326184558.db2.gz RFCYEEPJLSTSFD-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)(F)CCNC(=O)c1ccc(F)cc1O ZINC000618408840 369138723 /nfs/dbraw/zinc/13/87/23/369138723.db2.gz BTQPGCKVBDRXAD-UHFFFAOYSA-N 0 1 243.253 2.399 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCC1CCC1 ZINC000155172114 326187378 /nfs/dbraw/zinc/18/73/78/326187378.db2.gz GMVIDXQQCPSUTE-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1C ZINC000618510064 369163224 /nfs/dbraw/zinc/16/32/24/369163224.db2.gz QMUJALZLPCVOHJ-SDDRHHMPSA-N 0 1 247.342 2.193 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000457988737 203123472 /nfs/dbraw/zinc/12/34/72/203123472.db2.gz JDYKKOJEEOUTMP-BXKDBHETSA-N 0 1 247.342 2.063 20 0 BEADMN Cc1n[nH]c(C(=O)NCCCC2CCC2)c1C ZINC000618617117 369186269 /nfs/dbraw/zinc/18/62/69/369186269.db2.gz REMJKDJSQZPOSC-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN CCC[C@@H](NC(=O)CN(C)C)C1CCCC1 ZINC000458340864 203159821 /nfs/dbraw/zinc/15/98/21/203159821.db2.gz NFSGTVPMXXDUBB-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CC(=O)N[C@]1(C)CC=CCC1)C1CC1 ZINC000458331235 203162160 /nfs/dbraw/zinc/16/21/60/203162160.db2.gz GPVKDYCQMSOGIW-CQSZACIVSA-N 0 1 236.359 2.086 20 0 BEADMN CCN(CC(=O)N(C)C)[C@H]1CCc2ccccc21 ZINC000618986659 369252667 /nfs/dbraw/zinc/25/26/67/369252667.db2.gz ZDVWLZWIEFSHBJ-AWEZNQCLSA-N 0 1 246.354 2.084 20 0 BEADMN CCCCN(Cc1cnnn1CC)C1CC1 ZINC000459300021 203250332 /nfs/dbraw/zinc/25/03/32/203250332.db2.gz LOKVYXZHTZAPCD-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C(C)C ZINC000459304953 203252149 /nfs/dbraw/zinc/25/21/49/203252149.db2.gz OLOCPHKIBJTHTE-UHFFFAOYSA-N 0 1 235.331 2.290 20 0 BEADMN Cc1cc(CNCCc2ccccc2O)no1 ZINC000459404132 203274118 /nfs/dbraw/zinc/27/41/18/203274118.db2.gz RDWCTQGBXAXXLX-UHFFFAOYSA-N 0 1 232.283 2.021 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(C)[nH]2)C1 ZINC000619132334 369292128 /nfs/dbraw/zinc/29/21/28/369292128.db2.gz IWIRICLBNNUUKB-MWLCHTKSSA-N 0 1 235.331 2.369 20 0 BEADMN COCc1cc(CN2C[C@@H](C)CC[C@H]2C)no1 ZINC000459339340 203260021 /nfs/dbraw/zinc/26/00/21/203260021.db2.gz HUWPZNALYGIRNH-WDEREUQCSA-N 0 1 238.331 2.441 20 0 BEADMN CCn1nncc1CN1CCC(C(C)C)CC1 ZINC000459350983 203263987 /nfs/dbraw/zinc/26/39/87/203263987.db2.gz ZEKUDMXULAKIBA-UHFFFAOYSA-N 0 1 236.363 2.166 20 0 BEADMN COCc1cc(CN2CC[C@H]3CCC[C@@H]32)no1 ZINC000459485667 203289800 /nfs/dbraw/zinc/28/98/00/203289800.db2.gz DVLIMQBWFXIEEB-MFKMUULPSA-N 0 1 236.315 2.195 20 0 BEADMN COCc1cc(CN2CCCC23CCC3)no1 ZINC000459501714 203293910 /nfs/dbraw/zinc/29/39/10/203293910.db2.gz BTNVLPQUIVCXAJ-UHFFFAOYSA-N 0 1 236.315 2.340 20 0 BEADMN COCc1cc(CN[C@@H]2CC[C@H](C)C2)no1 ZINC000459523843 203296674 /nfs/dbraw/zinc/29/66/74/203296674.db2.gz VUYCNMZSXIYBFP-VHSXEESVSA-N 0 1 224.304 2.099 20 0 BEADMN COCCOC1CN(CCC2CCCCC2)C1 ZINC000459456198 203283543 /nfs/dbraw/zinc/28/35/43/203283543.db2.gz GOMISVJTWGRSSA-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CCC(=O)N1CCC(NCC(F)(F)CC)CC1 ZINC000623679955 369381725 /nfs/dbraw/zinc/38/17/25/369381725.db2.gz QTJIOBCVKVIUKR-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1cc(Cl)cc(CN2CC(CCO)C2)c1 ZINC000459584883 203307222 /nfs/dbraw/zinc/30/72/22/203307222.db2.gz AQNLIDOLMXGHQA-UHFFFAOYSA-N 0 1 239.746 2.463 20 0 BEADMN F[C@@H]1CCC[C@@H]1NCc1cnc(C2CC2)nc1 ZINC000459590536 203308723 /nfs/dbraw/zinc/30/87/23/203308723.db2.gz NHLKWZUNEUSEGG-NEPJUHHUSA-N 0 1 235.306 2.334 20 0 BEADMN COCCCOC1CN(CCC(C)(C)C)C1 ZINC000459593117 203309298 /nfs/dbraw/zinc/30/92/98/203309298.db2.gz NLNLJOZWSNJXMF-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN CSc1ccc(CN2CC(CCO)C2)cc1 ZINC000459589413 203309451 /nfs/dbraw/zinc/30/94/51/203309451.db2.gz IMTCVNRAJVGKAG-UHFFFAOYSA-N 0 1 237.368 2.223 20 0 BEADMN CCN(Cc1cnc(C2CC2)nc1)C[C@H](C)OC ZINC000459558490 203300892 /nfs/dbraw/zinc/30/08/92/203300892.db2.gz NTORHAUKJSBNHV-NSHDSACASA-N 0 1 249.358 2.211 20 0 BEADMN CCOC1(C)CN(CC2(OC)CCCCC2)C1 ZINC000459616579 203317545 /nfs/dbraw/zinc/31/75/45/203317545.db2.gz GRNOISPRKILFBI-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000405034041 369442673 /nfs/dbraw/zinc/44/26/73/369442673.db2.gz QFJHRXTWTWSRSB-VXGBXAGGSA-N 0 1 247.338 2.210 20 0 BEADMN COC(=O)[C@@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC000405034041 369442679 /nfs/dbraw/zinc/44/26/79/369442679.db2.gz QFJHRXTWTWSRSB-VXGBXAGGSA-N 0 1 247.338 2.210 20 0 BEADMN C(CN1CCOC[C@H]1C1CCC1)OC1CCC1 ZINC000567812248 326261407 /nfs/dbraw/zinc/26/14/07/326261407.db2.gz OAIOJCXKZKJTID-AWEZNQCLSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1ccc(CNCc2n[nH]c(C(C)(C)C)n2)o1 ZINC000459707011 203340735 /nfs/dbraw/zinc/34/07/35/203340735.db2.gz NYQLRTQQRSWFFR-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN CCCCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000060378872 369477974 /nfs/dbraw/zinc/47/79/74/369477974.db2.gz GZSXCNKZLPNYDE-UHFFFAOYSA-N 0 1 235.331 2.060 20 0 BEADMN CCc1ncc(CN[C@H](C)[C@@H]2CCCCO2)o1 ZINC000623996128 370956834 /nfs/dbraw/zinc/95/68/34/370956834.db2.gz URVUFVNVMUTBEM-PWSUYJOCSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(CN[C@@H]2CCO[C@H]2CC)cs1 ZINC000459739509 203348454 /nfs/dbraw/zinc/34/84/54/203348454.db2.gz KPPYXRABKFRRHK-MNOVXSKESA-N 0 1 240.372 2.363 20 0 BEADMN C[C@H](NCCC(C)(F)F)c1ccn(C)n1 ZINC000459784103 203366920 /nfs/dbraw/zinc/36/69/20/203366920.db2.gz IYFQUEKHHABRDN-QMMMGPOBSA-N 0 1 217.263 2.116 20 0 BEADMN COC(=O)CC1(CN2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000619649558 369507035 /nfs/dbraw/zinc/50/70/35/369507035.db2.gz NWAVZOQJLCXWKZ-MNOVXSKESA-N 0 1 243.322 2.010 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC000459763292 203361397 /nfs/dbraw/zinc/36/13/97/203361397.db2.gz AXERTIHKJXOAEE-WZRBSPASSA-N 0 1 235.331 2.003 20 0 BEADMN CC(C)SCCN[C@H](C)c1ccn(C)n1 ZINC000459799583 203374010 /nfs/dbraw/zinc/37/40/10/203374010.db2.gz VPSYKHKRADSEFD-SNVBAGLBSA-N 0 1 227.377 2.212 20 0 BEADMN CCN1CCN(Cc2cc(C)ccc2F)CC1 ZINC000157411174 326273347 /nfs/dbraw/zinc/27/33/47/326273347.db2.gz WDEDZFDVEXAXTH-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN OCCNCc1oc2ccccc2c1Cl ZINC000631035380 370987517 /nfs/dbraw/zinc/98/75/17/370987517.db2.gz NSBDHTWBKKHJEX-UHFFFAOYSA-N 0 1 225.675 2.168 20 0 BEADMN CCC[N@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC000619901411 369631997 /nfs/dbraw/zinc/63/19/97/369631997.db2.gz RTMSSFCJFUAHJP-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H](C3CCC3)C2)[nH]1 ZINC000620209944 369768628 /nfs/dbraw/zinc/76/86/28/369768628.db2.gz OOBAADYRTGMAHD-LBPRGKRZSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])C2CC2)s1 ZINC000568060763 326302136 /nfs/dbraw/zinc/30/21/36/326302136.db2.gz NRLPWUHFVIZZKU-LLVKDONJSA-N 0 1 239.340 2.352 20 0 BEADMN CCCc1cc(C(=O)N(C)C[C@H](C)CC)n[nH]1 ZINC000110961506 370005809 /nfs/dbraw/zinc/00/58/09/370005809.db2.gz CMYWTUDZCMGMRF-SNVBAGLBSA-N 0 1 237.347 2.480 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CCN(C)CC1 ZINC000062640442 370066919 /nfs/dbraw/zinc/06/69/19/370066919.db2.gz LWFSCQUNFNHMRH-SNVBAGLBSA-N 0 1 240.297 2.273 20 0 BEADMN CC12CC(C1)CN2C(=O)c1[nH]nc2ccccc21 ZINC000621208455 370149871 /nfs/dbraw/zinc/14/98/71/370149871.db2.gz GOQWSOKSVBBCGS-UHFFFAOYSA-N 0 1 241.294 2.187 20 0 BEADMN C[C@H](NCc1cncc(Cl)c1)c1cn[nH]c1 ZINC000621278434 370209538 /nfs/dbraw/zinc/20/95/38/370209538.db2.gz OJLKWTJGLAMIOK-QMMMGPOBSA-N 0 1 236.706 2.309 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cncc(Cl)c1 ZINC000621279305 370210299 /nfs/dbraw/zinc/21/02/99/370210299.db2.gz OLLKVUGTQHUOSY-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cncc(Cl)c2)C1 ZINC000621294502 370221060 /nfs/dbraw/zinc/22/10/60/370221060.db2.gz CXABTYSYIWFQQE-TXEJJXNPSA-N 0 1 240.734 2.344 20 0 BEADMN C[C@@H](N[C@H](CO)C1CCCC1)c1cscn1 ZINC000309554491 370227522 /nfs/dbraw/zinc/22/75/22/370227522.db2.gz JHTDFCBVPSEVGQ-MWLCHTKSSA-N 0 1 240.372 2.345 20 0 BEADMN CCN(CC(=O)N(C)C)[C@@H](C)c1ccccc1 ZINC000621299293 370227574 /nfs/dbraw/zinc/22/75/74/370227574.db2.gz MGEUWXUXSSGLCZ-LBPRGKRZSA-N 0 1 234.343 2.158 20 0 BEADMN CN(Cc1cncc(Cl)c1)CC(C)(C)CO ZINC000621299094 370228110 /nfs/dbraw/zinc/22/81/10/370228110.db2.gz TYUWYXJQMQCMFU-UHFFFAOYSA-N 0 1 242.750 2.185 20 0 BEADMN C[C@@H]1OCC[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000631008393 370207577 /nfs/dbraw/zinc/20/75/77/370207577.db2.gz YSVHUVGZYIZYCP-IONNQARKSA-N 0 1 239.344 2.199 20 0 BEADMN C[C@@H]1OCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000631008393 370207578 /nfs/dbraw/zinc/20/75/78/370207578.db2.gz YSVHUVGZYIZYCP-IONNQARKSA-N 0 1 239.344 2.199 20 0 BEADMN C[C@@H](c1ccccc1F)N1CCN(C)CC1 ZINC000076574614 370321512 /nfs/dbraw/zinc/32/15/12/370321512.db2.gz XITJQXHSIYBIMP-NSHDSACASA-N 0 1 222.307 2.134 20 0 BEADMN FC1(F)C[C@H]1CCNc1nc(C2CC2)ns1 ZINC000621345811 370280282 /nfs/dbraw/zinc/28/02/82/370280282.db2.gz XNGJIFJWTJWOSI-SSDOTTSWSA-N 0 1 245.298 2.295 20 0 BEADMN C[C@H](CO)CN[C@H](C(F)F)C1CCCCC1 ZINC000621402323 370337535 /nfs/dbraw/zinc/33/75/35/370337535.db2.gz ZOAADLNDLZZXHB-ONGXEEELSA-N 0 1 235.318 2.418 20 0 BEADMN OCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000621404275 370341735 /nfs/dbraw/zinc/34/17/35/370341735.db2.gz NHYMCNSEIDAPMM-SNVBAGLBSA-N 0 1 221.291 2.172 20 0 BEADMN CCCCOCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000568290585 326342166 /nfs/dbraw/zinc/34/21/66/326342166.db2.gz MOITZPJEFBVOMF-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@@H](C(=O)N1CCN[C@@H](C)C1)C(C)C ZINC000621622950 370407874 /nfs/dbraw/zinc/40/78/74/370407874.db2.gz RJVASAWOYHVDPI-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCOc1cncc(CN(C)C2CC2)c1 ZINC000621712132 370459916 /nfs/dbraw/zinc/45/99/16/370459916.db2.gz TYIKDGGRVUNANI-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN c1cncc(CN2CC(CC3CC3)C2)c1 ZINC000621741506 370500631 /nfs/dbraw/zinc/50/06/31/370500631.db2.gz WLZICJQLFZNKJL-UHFFFAOYSA-N 0 1 202.301 2.314 20 0 BEADMN COc1ccc(CN2CC(CC3CC3)C2)cn1 ZINC000621740265 370498601 /nfs/dbraw/zinc/49/86/01/370498601.db2.gz HDACJWUXAIMGJO-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN c1nc2n(c1CN1CC(CC3CC3)C1)CCC2 ZINC000621740348 370499327 /nfs/dbraw/zinc/49/93/27/370499327.db2.gz LDYNPCVBCACBTI-UHFFFAOYSA-N 0 1 231.343 2.061 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cnn(C(C)C)c2)[nH]1 ZINC000621843519 370557545 /nfs/dbraw/zinc/55/75/45/370557545.db2.gz HCLTZALCENJGFK-UHFFFAOYSA-N 0 1 247.302 2.056 20 0 BEADMN CCc1noc(C)c1NC(=O)c1[nH]c(C)nc1C ZINC000621932181 370606915 /nfs/dbraw/zinc/60/69/15/370606915.db2.gz WTXDSLOYLIYGBW-UHFFFAOYSA-N 0 1 248.286 2.138 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621911998 370595155 /nfs/dbraw/zinc/59/51/55/370595155.db2.gz WPCSICLEWHCDCL-AWEZNQCLSA-N 0 1 249.358 2.336 20 0 BEADMN CCCC[C@@H](C(=O)NCCN1CCC1)C(C)C ZINC000621928464 370604770 /nfs/dbraw/zinc/60/47/70/370604770.db2.gz BSNPKKZVPBUCQO-CYBMUJFWSA-N 0 1 240.391 2.271 20 0 BEADMN CCCC[C@H](C(=O)NCc1cnc[nH]1)C(C)C ZINC000621876888 370575468 /nfs/dbraw/zinc/57/54/68/370575468.db2.gz LUYRGDVYZWFSSK-LBPRGKRZSA-N 0 1 237.347 2.488 20 0 BEADMN CC(C)=CCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621970901 370628782 /nfs/dbraw/zinc/62/87/82/370628782.db2.gz VTICHIQZIRLVRO-UHFFFAOYSA-N 0 1 235.331 2.160 20 0 BEADMN CC(C)(C(=O)N[C@H]1CCC(C)(C)C1)c1cnc[nH]1 ZINC000621939605 370609720 /nfs/dbraw/zinc/60/97/20/370609720.db2.gz JRKSOKMZQQOAJP-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN CCCCCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000154011961 371070314 /nfs/dbraw/zinc/07/03/14/371070314.db2.gz XEJSIRDGWAWRPD-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)o1 ZINC000623753631 371081952 /nfs/dbraw/zinc/08/19/52/371081952.db2.gz BHTUVSULVBIECN-FZMZJTMJSA-N 0 1 235.327 2.499 20 0 BEADMN CCc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)o1 ZINC000623753632 371082050 /nfs/dbraw/zinc/08/20/50/371082050.db2.gz BHTUVSULVBIECN-RISCZKNCSA-N 0 1 235.327 2.499 20 0 BEADMN CCN1CCN(c2nc3cccc(F)c3o2)CC1 ZINC000623787869 371093633 /nfs/dbraw/zinc/09/36/33/371093633.db2.gz DKRCRCCSTHILLB-UHFFFAOYSA-N 0 1 249.289 2.109 20 0 BEADMN CO[C@H]1C[C@H](NCc2csc(C3CC3)n2)C1 ZINC000623807814 371102429 /nfs/dbraw/zinc/10/24/29/371102429.db2.gz UAPROMDTXAKCJL-HOMQSWHASA-N 0 1 238.356 2.288 20 0 BEADMN c1nc2c(s1)CCC[C@H]2NC[C@H]1CCCO1 ZINC000623850830 371127100 /nfs/dbraw/zinc/12/71/00/371127100.db2.gz SMQNGLTUQIHXOM-NXEZZACHSA-N 0 1 238.356 2.289 20 0 BEADMN c1cn(CCN[C@@H]2CCCc3scnc32)cn1 ZINC000623851931 371127729 /nfs/dbraw/zinc/12/77/29/371127729.db2.gz LJQDBHHSXIUOBC-SNVBAGLBSA-N 0 1 248.355 2.007 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2scnc21)C(C)(C)O ZINC000623933755 371161749 /nfs/dbraw/zinc/16/17/49/371161749.db2.gz QCYPLNNOCBGXIS-RKDXNWHRSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@@H](CN1CC(=O)N(C)[C@H](C)C1)CC(C)(C)C ZINC001642856980 1172406513 /nfs/dbraw/zinc/40/65/13/1172406513.db2.gz FWMOHZPVYKYYLA-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623967416 371203736 /nfs/dbraw/zinc/20/37/36/371203736.db2.gz YZZQHYDNHAWGRC-DTWKUNHWSA-N 0 1 226.345 2.145 20 0 BEADMN Cc1csc([C@@H](C)NC[C@H](O)C2CCC2)n1 ZINC000623997228 371229429 /nfs/dbraw/zinc/22/94/29/371229429.db2.gz FZPLOZAHZUBADQ-KOLCDFICSA-N 0 1 240.372 2.263 20 0 BEADMN CC[C@H](N[C@@H]1CCCc2scnc21)[C@H](C)O ZINC000623994986 371229934 /nfs/dbraw/zinc/22/99/34/371229934.db2.gz JTEKIBLFMCHGHD-LPEHRKFASA-N 0 1 240.372 2.270 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2C[C@@](C)(O)C2)n1 ZINC000624001679 371230726 /nfs/dbraw/zinc/23/07/26/371230726.db2.gz IXHYRASYXKUDGU-ATZCPNFKSA-N 0 1 226.345 2.016 20 0 BEADMN CCC(F)(F)CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000624147625 371341906 /nfs/dbraw/zinc/34/19/06/371341906.db2.gz GMSLGFYXPVDDDF-ONGXEEELSA-N 0 1 232.318 2.104 20 0 BEADMN CCC(F)(F)CN[C@H](C)C1CCOCC1 ZINC000624147550 371341942 /nfs/dbraw/zinc/34/19/42/371341942.db2.gz DKXDUVVPINAHIN-SECBINFHSA-N 0 1 221.291 2.436 20 0 BEADMN CCC(F)(F)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000624147872 371342594 /nfs/dbraw/zinc/34/25/94/371342594.db2.gz NMBZGVFTSPTSJX-BBBLOLIVSA-N 0 1 233.302 2.435 20 0 BEADMN C/C=C/CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000624199334 371390020 /nfs/dbraw/zinc/39/00/20/371390020.db2.gz MHGJGPRWVPCERD-PGLGOXFNSA-N 0 1 219.332 2.446 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2c(C)noc2C)on1 ZINC000631077351 371398339 /nfs/dbraw/zinc/39/83/39/371398339.db2.gz ZPNZSWFFAANDOJ-QMMMGPOBSA-N 0 1 249.314 2.309 20 0 BEADMN CC[C@@H](NCc1ccc(=O)[nH]c1)c1nccs1 ZINC000631076853 371375900 /nfs/dbraw/zinc/37/59/00/371375900.db2.gz QQBXQCWLBBDSFR-SNVBAGLBSA-N 0 1 249.339 2.485 20 0 BEADMN CC[C@H](CC(=O)N1CCc2nc[nH]c2C1)C(C)C ZINC000627367419 371586173 /nfs/dbraw/zinc/58/61/73/371586173.db2.gz TXELDFUTWVMSHJ-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN C[C@H]1CCC[C@H]1CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369736 371587508 /nfs/dbraw/zinc/58/75/08/371587508.db2.gz BKGHDRCUANAILV-QWRGUYRKSA-N 0 1 247.342 2.121 20 0 BEADMN CC1(C)CC[C@@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627370359 371587589 /nfs/dbraw/zinc/58/75/89/371587589.db2.gz WVHBOCYKIMUGGG-SNVBAGLBSA-N 0 1 247.342 2.121 20 0 BEADMN CCC(CC)CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369429 371588081 /nfs/dbraw/zinc/58/80/81/371588081.db2.gz SQRYNTYGHBETCH-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN CCOC(=O)C1CCC(N[C@@H](C)C(F)F)CC1 ZINC000228507421 372038793 /nfs/dbraw/zinc/03/87/93/372038793.db2.gz CWEJGFYJMQFBAP-IDKOKCKLSA-N 0 1 249.301 2.352 20 0 BEADMN CCCC[C@](C)(CO)NCc1cc(C)no1 ZINC000631164646 372213571 /nfs/dbraw/zinc/21/35/71/372213571.db2.gz FKHJDAIORBPRGP-GFCCVEGCSA-N 0 1 226.320 2.014 20 0 BEADMN Cc1cc(CNCC(C)(C)OCC2CC2)on1 ZINC000631163720 372214232 /nfs/dbraw/zinc/21/42/32/372214232.db2.gz OHZHKTAQAVMIPQ-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN CO[C@@H](CNCc1cc(C)no1)C1CCCC1 ZINC000631177378 372218108 /nfs/dbraw/zinc/21/81/08/372218108.db2.gz ODAPUELGZOZJDS-ZDUSSCGKSA-N 0 1 238.331 2.278 20 0 BEADMN COCCc1ncc(CNCC(C)(C)F)s1 ZINC000631188381 372222777 /nfs/dbraw/zinc/22/27/77/372222777.db2.gz DUSDAUFYRXFODE-UHFFFAOYSA-N 0 1 246.351 2.170 20 0 BEADMN CC1(C)CCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134268751 372189862 /nfs/dbraw/zinc/18/98/62/372189862.db2.gz KNPQBPUZHLLBGG-SNVBAGLBSA-N 0 1 247.342 2.231 20 0 BEADMN Cc1cnccc1CN[C@H]1CCCn2nccc21 ZINC000631298447 372283589 /nfs/dbraw/zinc/28/35/89/372283589.db2.gz KIZRXTXDTXGAKW-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN Fc1cncc(CN[C@H]2CCCn3nccc32)c1 ZINC000631301269 372285719 /nfs/dbraw/zinc/28/57/19/372285719.db2.gz OLNNHKFRQZOLFY-LBPRGKRZSA-N 0 1 246.289 2.042 20 0 BEADMN CCCCc1cc(N(C)Cc2cnc[nH]2)ncn1 ZINC000631350042 372307503 /nfs/dbraw/zinc/30/75/03/372307503.db2.gz SOYQXOMLTAHQGP-UHFFFAOYSA-N 0 1 245.330 2.179 20 0 BEADMN CC[C@@H](CC(=O)NCc1cnc[nH]1)C(C)(C)C ZINC000631413115 372346824 /nfs/dbraw/zinc/34/68/24/372346824.db2.gz AOENVGVEKLTBHR-JTQLQIEISA-N 0 1 237.347 2.488 20 0 BEADMN C[C@H]1CCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000631559055 372422280 /nfs/dbraw/zinc/42/22/80/372422280.db2.gz DDZAYKHWBJYKBA-LURJTMIESA-N 0 1 247.220 2.053 20 0 BEADMN C[C@H](CC1CCC1)Nc1ncnc2[nH]cnc21 ZINC000631517352 372405423 /nfs/dbraw/zinc/40/54/23/372405423.db2.gz CCTGIHZXYCOOBT-MRVPVSSYSA-N 0 1 231.303 2.344 20 0 BEADMN CCCC[C@@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000171174924 372418310 /nfs/dbraw/zinc/41/83/10/372418310.db2.gz YXUIGEDVXZYAQY-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ncc([C@H](C)NCC(C)(C)F)c(C)n1 ZINC000631657517 372482881 /nfs/dbraw/zinc/48/28/81/372482881.db2.gz DQBCYGVEMQYYHF-QMMMGPOBSA-N 0 1 225.311 2.492 20 0 BEADMN COc1cccc2c1OCCC[C@@H]2NCCF ZINC000631625627 372467528 /nfs/dbraw/zinc/46/75/28/372467528.db2.gz ONHFKZKYALPPPC-NSHDSACASA-N 0 1 239.290 2.468 20 0 BEADMN CC(C)(F)CN[C@@H]1CCCn2nccc21 ZINC000631660417 372486944 /nfs/dbraw/zinc/48/69/44/372486944.db2.gz FMGOZYLQBVAPCZ-SECBINFHSA-N 0 1 211.284 2.056 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@@H](CO)C2)c(C)s1 ZINC000631671198 372497311 /nfs/dbraw/zinc/49/73/11/372497311.db2.gz VUBYGKUKCLCYKB-BKDNQFJXSA-N 0 1 240.372 2.181 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000631756476 372559773 /nfs/dbraw/zinc/55/97/73/372559773.db2.gz LUAIRPRZOZJQNL-NBEYISGCSA-N 0 1 233.237 2.022 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@H]1CCCn2nccc21 ZINC000631809864 372587228 /nfs/dbraw/zinc/58/72/28/372587228.db2.gz OLYHNWDMLBDECI-CABZTGNLSA-N 0 1 245.330 2.100 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1ccc(Cl)cc1 ZINC001643107783 1172434452 /nfs/dbraw/zinc/43/44/52/1172434452.db2.gz UNVHJSLGDYRLKU-CABZTGNLSA-N 0 1 225.719 2.295 20 0 BEADMN O=C(C[C@@H]1CCCO1)Nc1ccc2nc[nH]c2c1 ZINC000299285099 182019756 /nfs/dbraw/zinc/01/97/56/182019756.db2.gz FNPMYWJLDIQNHZ-JTQLQIEISA-N 0 1 245.282 2.071 20 0 BEADMN COC(C)(C)C(=O)Nc1cccc(Cl)c1O ZINC000172355343 372953255 /nfs/dbraw/zinc/95/32/55/372953255.db2.gz LDLMFDROTCVEJP-UHFFFAOYSA-N 0 1 243.690 2.409 20 0 BEADMN CCOC(=O)CN(CC)CCC1CCCC1 ZINC000172764433 373069080 /nfs/dbraw/zinc/06/90/80/373069080.db2.gz RHZRBGOZUVVNOB-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1cncc(F)c1 ZINC000632844322 373183989 /nfs/dbraw/zinc/18/39/89/373183989.db2.gz LYJXCGUKMZALPF-UHFFFAOYSA-N 0 1 248.261 2.320 20 0 BEADMN O=C(NC1CCCC1)c1cccc2nc[nH]c21 ZINC000074732334 182111895 /nfs/dbraw/zinc/11/18/95/182111895.db2.gz HWNPSTKTZUFTCO-UHFFFAOYSA-N 0 1 229.283 2.235 20 0 BEADMN O=C(NCC1CCC1)c1n[nH]c2ccccc21 ZINC000031439474 182144684 /nfs/dbraw/zinc/14/46/84/182144684.db2.gz ISJTWTSSOZYTTH-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@@H](C)CC)C1CC1 ZINC000190843764 259568918 /nfs/dbraw/zinc/56/89/18/259568918.db2.gz DLWIGEUDMYQDCJ-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC(C)(C)C2)o1 ZINC000174256348 374167689 /nfs/dbraw/zinc/16/76/89/374167689.db2.gz VLOYTXYZZIYGKL-MRVPVSSYSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)c1[nH]nc2c1CCC2 ZINC000634366745 374211183 /nfs/dbraw/zinc/21/11/83/374211183.db2.gz SWXKXNIJCPTUDJ-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000634369757 374218266 /nfs/dbraw/zinc/21/82/66/374218266.db2.gz HUHVNVRNSVZIBW-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN Cc1ccc2nc(CNC(=O)[C@H]3C[C@@H]3C)[nH]c2c1 ZINC000174890180 374271888 /nfs/dbraw/zinc/27/18/88/374271888.db2.gz MNHANGJZBZDUOA-UWVGGRQHSA-N 0 1 243.310 2.144 20 0 BEADMN C[C@H](NCC1=CCCOC1)c1nccs1 ZINC000176835486 206006512 /nfs/dbraw/zinc/00/65/12/206006512.db2.gz XYIZJVRRZGUNDP-VIFPVBQESA-N 0 1 224.329 2.140 20 0 BEADMN O=C(NOC1CCCC1)c1cccc2nc[nH]c21 ZINC000272147301 182281250 /nfs/dbraw/zinc/28/12/50/182281250.db2.gz WQBWELXJTSOBEW-UHFFFAOYSA-N 0 1 245.282 2.167 20 0 BEADMN CCCN(Cc1n[nH]c(C(C)C)n1)CC(F)F ZINC000428245465 206057951 /nfs/dbraw/zinc/05/79/51/206057951.db2.gz WZQNLQQLMAJVFJ-UHFFFAOYSA-N 0 1 246.305 2.405 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440477452 206077195 /nfs/dbraw/zinc/07/71/95/206077195.db2.gz JPDGTWLLMQXVIM-LLVKDONJSA-N 0 1 237.347 2.067 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000440484800 206078645 /nfs/dbraw/zinc/07/86/45/206078645.db2.gz JNTHTFSUGVBZOY-LLVKDONJSA-N 0 1 237.347 2.067 20 0 BEADMN C[C@@H](CNC(CF)CF)CC1CCOCC1 ZINC000449377832 206096481 /nfs/dbraw/zinc/09/64/81/206096481.db2.gz BOEGVXPVUSRLHP-SNVBAGLBSA-N 0 1 235.318 2.336 20 0 BEADMN CCc1nc(NC(=O)C2=CCC(C)(C)CC2)n[nH]1 ZINC000455963135 206115755 /nfs/dbraw/zinc/11/57/55/206115755.db2.gz LZTDJGPOWFQPCA-UHFFFAOYSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)C2=CCC(C)(C)CC2)n1 ZINC000455963135 206115757 /nfs/dbraw/zinc/11/57/57/206115757.db2.gz LZTDJGPOWFQPCA-UHFFFAOYSA-N 0 1 248.330 2.442 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@H]1CC=CCC1 ZINC000268964306 182333764 /nfs/dbraw/zinc/33/37/64/182333764.db2.gz KHWMACZOZNJVQQ-JQWIXIFHSA-N 0 1 245.326 2.260 20 0 BEADMN CCN(Cc1cnnn1CC)CC(C)(C)C ZINC000459499978 206130415 /nfs/dbraw/zinc/13/04/15/206130415.db2.gz MSOPGWNKQSSOPQ-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN CCOC[C@H]1CCC[C@@H]1NCC(F)F ZINC000459546613 206132465 /nfs/dbraw/zinc/13/24/65/206132465.db2.gz MWVVGVKWGIHQAX-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN FC(F)CN[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000459540517 206133844 /nfs/dbraw/zinc/13/38/44/206133844.db2.gz FBLIQJAKJZYYGD-GARJFASQSA-N 0 1 233.302 2.436 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1cncs1 ZINC000352629840 182367489 /nfs/dbraw/zinc/36/74/89/182367489.db2.gz KRILQRFFXXVSAZ-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CCNC(=O)CN(CC)[C@@H](C)c1ccccc1 ZINC000102689078 170057000 /nfs/dbraw/zinc/05/70/00/170057000.db2.gz IEIBJQYULHQICM-LBPRGKRZSA-N 0 1 234.343 2.206 20 0 BEADMN O=C(Nc1cccc(F)c1)c1ncccc1O ZINC000037760556 182370936 /nfs/dbraw/zinc/37/09/36/182370936.db2.gz YKTAAZPZJQLTEH-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000342124471 170215506 /nfs/dbraw/zinc/21/55/06/170215506.db2.gz JSZINAJHTFUPDS-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CO[C@H]1CCC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC001643615170 1172479333 /nfs/dbraw/zinc/47/93/33/1172479333.db2.gz BIOTUWHJDWJOSP-DTWKUNHWSA-N 0 1 227.333 2.163 20 0 BEADMN CO[C@@H]1CCC[C@H](Sc2nnc(C)[nH]2)C1 ZINC001643615169 1172479579 /nfs/dbraw/zinc/47/95/79/1172479579.db2.gz BIOTUWHJDWJOSP-BDAKNGLRSA-N 0 1 227.333 2.163 20 0 BEADMN O=C(NCC[C@H]1CC=CCC1)c1[nH]ncc1F ZINC001643645683 1172483024 /nfs/dbraw/zinc/48/30/24/1172483024.db2.gz HHALGIWPJMXYBJ-VIFPVBQESA-N 0 1 237.278 2.025 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(CC)C[C@@H](C)OC ZINC000361567561 168936014 /nfs/dbraw/zinc/93/60/14/168936014.db2.gz XDIUWBAKHQIQJV-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CCOCCN(CCOC)Cc1cccs1 ZINC000340867331 170397150 /nfs/dbraw/zinc/39/71/50/170397150.db2.gz VSPUWDRDMXLSKR-UHFFFAOYSA-N 0 1 243.372 2.233 20 0 BEADMN OC1(CN[C@@H]2CCn3ccnc32)CCCCCC1 ZINC000329263359 183019771 /nfs/dbraw/zinc/01/97/71/183019771.db2.gz GKVCNPYZZFUROY-GFCCVEGCSA-N 0 1 249.358 2.003 20 0 BEADMN OC1(CN[C@H]2CCn3ccnc32)CCCCCC1 ZINC000329263361 183021305 /nfs/dbraw/zinc/02/13/05/183021305.db2.gz GKVCNPYZZFUROY-LBPRGKRZSA-N 0 1 249.358 2.003 20 0 BEADMN OCCCCCN1CCC[C@@H]1c1nccs1 ZINC000363094477 183046185 /nfs/dbraw/zinc/04/61/85/183046185.db2.gz AHKDFVLBYKVPDI-LLVKDONJSA-N 0 1 240.372 2.443 20 0 BEADMN OCC(F)(F)CN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000309629032 183035049 /nfs/dbraw/zinc/03/50/49/183035049.db2.gz JWTZLZHOTAWNEU-GHMZBOCLSA-N 0 1 233.302 2.172 20 0 BEADMN OCC1(CNCc2ncc(Cl)s2)CCC1 ZINC000308897588 183035910 /nfs/dbraw/zinc/03/59/10/183035910.db2.gz ATZUQGNTKKYNQR-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN OCCCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000374640697 183051263 /nfs/dbraw/zinc/05/12/63/183051263.db2.gz XYTBRNIPRISXMC-AWEZNQCLSA-N 0 1 237.318 2.330 20 0 BEADMN OCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000081644658 183075588 /nfs/dbraw/zinc/07/55/88/183075588.db2.gz SHWJBYQHEVAMOZ-NSHDSACASA-N 0 1 248.351 2.426 20 0 BEADMN OCCNCc1csc(Cl)c1Cl ZINC000308081577 183078764 /nfs/dbraw/zinc/07/87/64/183078764.db2.gz JPSUHMBTCAZMMS-UHFFFAOYSA-N 0 1 226.128 2.137 20 0 BEADMN OCC[C@@H](NCCC(F)(F)F)c1ccco1 ZINC000274378276 183090003 /nfs/dbraw/zinc/09/00/03/183090003.db2.gz CXHZPBLEQLDHKJ-MRVPVSSYSA-N 0 1 237.221 2.245 20 0 BEADMN OCC[C@@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000185119934 183091098 /nfs/dbraw/zinc/09/10/98/183091098.db2.gz KFTDEULAUXSYOH-NWDGAFQWSA-N 0 1 221.300 2.401 20 0 BEADMN OCC[C@@H](NCc1cncs1)c1ccccc1 ZINC000268945132 183091674 /nfs/dbraw/zinc/09/16/74/183091674.db2.gz BBLNTCUYUCBMAA-CYBMUJFWSA-N 0 1 248.351 2.356 20 0 BEADMN CCCC[C@H](CC)N[C@@H](C(N)=O)c1ccccn1 ZINC000295122788 169000037 /nfs/dbraw/zinc/00/00/37/169000037.db2.gz NMODJSTVXLBGOW-WCQYABFASA-N 0 1 249.358 2.166 20 0 BEADMN OC[C@@H]1CCN(Cc2cc(F)ccc2Cl)C1 ZINC000165819895 183122952 /nfs/dbraw/zinc/12/29/52/183122952.db2.gz OBFSXMVGYMWYEZ-SECBINFHSA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000092764876 183124543 /nfs/dbraw/zinc/12/45/43/183124543.db2.gz VIFMYMVJNOUHJW-SNVBAGLBSA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000092764875 183153123 /nfs/dbraw/zinc/15/31/23/183153123.db2.gz VIFMYMVJNOUHJW-JTQLQIEISA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000082945945 183153302 /nfs/dbraw/zinc/15/33/02/183153302.db2.gz ZJGGQLPHOIKWOL-JTQLQIEISA-N 0 1 243.709 2.293 20 0 BEADMN O[C@@H](CNC/C=C\c1ccccc1)C(F)(F)F ZINC000310047688 183177345 /nfs/dbraw/zinc/17/73/45/183177345.db2.gz HTFUZKMEIIEWOH-IBHLPDHGSA-N 0 1 245.244 2.213 20 0 BEADMN O[C@@H](CN1CC2(CCC2)[C@@H]1C1CC1)C(F)(F)F ZINC000357447535 183175311 /nfs/dbraw/zinc/17/53/11/183175311.db2.gz DGHQTZRLEPSJNT-UWVGGRQHSA-N 0 1 249.276 2.174 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(F)cc1C ZINC000358553671 169074748 /nfs/dbraw/zinc/07/47/48/169074748.db2.gz GETVPUOXQYSECL-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1ccc(Cl)cc1F ZINC000335279469 183205133 /nfs/dbraw/zinc/20/51/33/183205133.db2.gz ILGCUHVSSFQVRQ-GHMZBOCLSA-N 0 1 229.682 2.092 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(F)c(C)c1 ZINC000359262867 169076846 /nfs/dbraw/zinc/07/68/46/169076846.db2.gz MKYPHCVZTQSOHS-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCCN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000049479115 169059889 /nfs/dbraw/zinc/05/98/89/169059889.db2.gz JQLRPUPOUXFPHY-UHFFFAOYSA-N 0 1 209.293 2.015 20 0 BEADMN O[C@H](CN1CC2(C1)CCCC2)CC(F)(F)F ZINC000364993236 183220210 /nfs/dbraw/zinc/22/02/10/183220210.db2.gz KJSIRFNLKJPBTI-VIFPVBQESA-N 0 1 237.265 2.176 20 0 BEADMN CCCN(C)Cc1cn2cc(C)ccc2n1 ZINC000118006003 169080215 /nfs/dbraw/zinc/08/02/15/169080215.db2.gz FSUCUNQSGDIWKS-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN CCCN(C)Cc1cc(C(=O)OC)ccc1F ZINC000181903349 169080343 /nfs/dbraw/zinc/08/03/43/169080343.db2.gz OFXLINGMIQFJFR-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN O[C@H](CNCc1ccco1)c1ccsc1 ZINC000164291001 183223760 /nfs/dbraw/zinc/22/37/60/183223760.db2.gz JYKMDYLRVDSARW-LLVKDONJSA-N 0 1 223.297 2.164 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1C ZINC000032013852 169098487 /nfs/dbraw/zinc/09/84/87/169098487.db2.gz NFDITVQQKQOWLH-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(F)c1F ZINC000038021983 169098658 /nfs/dbraw/zinc/09/86/58/169098658.db2.gz VBLGDJXFFSTEFF-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000294767222 183247934 /nfs/dbraw/zinc/24/79/34/183247934.db2.gz FMYMFZCNKFBOQI-AOOOYVTPSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccnc(Cl)c2Cl)C1 ZINC000294756328 183248257 /nfs/dbraw/zinc/24/82/57/183248257.db2.gz DQYUBHUKVNTWHU-OCAPTIKFSA-N 0 1 247.125 2.001 20 0 BEADMN C[C@H]1CCN(CC(=O)N(C)c2ccsc2)C1 ZINC001643988510 1172516031 /nfs/dbraw/zinc/51/60/31/1172516031.db2.gz BNWIJAYSVCYRBA-JTQLQIEISA-N 0 1 238.356 2.053 20 0 BEADMN Oc1ccc(CNCc2ccncc2)cc1F ZINC000083358642 183270019 /nfs/dbraw/zinc/27/00/19/183270019.db2.gz YOGYTGPPIJWQBZ-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN CCCN(Cc1cc(COC)on1)CC1CC1 ZINC000362304430 169172402 /nfs/dbraw/zinc/17/24/02/169172402.db2.gz GTDXLSDMPMRILP-UHFFFAOYSA-N 0 1 238.331 2.443 20 0 BEADMN CCC[N@H+](CCCCC(=O)[O-])CC(F)F ZINC000181552215 169153667 /nfs/dbraw/zinc/15/36/67/169153667.db2.gz HPLTZCDKASXVQI-UHFFFAOYSA-N 0 1 223.263 2.218 20 0 BEADMN CCC[N@@H+](CCCCC(=O)[O-])CC(F)F ZINC000181552215 169153669 /nfs/dbraw/zinc/15/36/69/169153669.db2.gz HPLTZCDKASXVQI-UHFFFAOYSA-N 0 1 223.263 2.218 20 0 BEADMN [O-]c1cccc(C[NH2+]CC2(O)CCC2)c1Cl ZINC000328505760 183288788 /nfs/dbraw/zinc/28/87/88/183288788.db2.gz ZQZIRSSQXIABDM-UHFFFAOYSA-N 0 1 241.718 2.050 20 0 BEADMN CCCN(Cc1nc(C)no1)CC(C)C ZINC000336706137 169180620 /nfs/dbraw/zinc/18/06/20/169180620.db2.gz RGQQSSRXOVSPAT-UHFFFAOYSA-N 0 1 211.309 2.246 20 0 BEADMN CCCN(Cc1nccnc1OC)CC1CC1 ZINC000294115410 169181360 /nfs/dbraw/zinc/18/13/60/169181360.db2.gz DEPMXGXSQUBLHH-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CCCN1CCC2(C1)Oc1ccccc1O2 ZINC000288806588 169192093 /nfs/dbraw/zinc/19/20/93/169192093.db2.gz LDSAAORXSUVXLQ-UHFFFAOYSA-N 0 1 219.284 2.270 20 0 BEADMN c1c[nH]c(CN2CCC[C@H](C3CC3)C2)n1 ZINC000289373730 183325773 /nfs/dbraw/zinc/32/57/73/183325773.db2.gz IMJMNBRTQOCGFX-NSHDSACASA-N 0 1 205.305 2.032 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000274882939 183327206 /nfs/dbraw/zinc/32/72/06/183327206.db2.gz XGAQUFFOVWXXRY-LBPRGKRZSA-N 0 1 216.288 2.075 20 0 BEADMN c1cc(CCN2CCOCC23CCCC3)ccn1 ZINC000270674255 183337130 /nfs/dbraw/zinc/33/71/30/183337130.db2.gz STEZYTMPJLVMMD-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN c1cc(CN(C[C@H]2CCCO2)C2CC2)ccn1 ZINC000272912599 183340621 /nfs/dbraw/zinc/34/06/21/183340621.db2.gz OLDKPVQPFUBLSW-CQSZACIVSA-N 0 1 232.327 2.225 20 0 BEADMN CCCN1CCn2c(nnc2-c2ccccc2)C1 ZINC000076183242 169210374 /nfs/dbraw/zinc/21/03/74/169210374.db2.gz QBDCOGHMVCBOHW-UHFFFAOYSA-N 0 1 242.326 2.171 20 0 BEADMN c1cc(CN[C@@H]2CCC23CCCC3)no1 ZINC000308995830 183351797 /nfs/dbraw/zinc/35/17/97/183351797.db2.gz MNONJEGEVPMHLS-LLVKDONJSA-N 0 1 206.289 2.487 20 0 BEADMN c1cc(CCCN2CCO[C@H]3CCC[C@@H]32)ccn1 ZINC000360442441 183336109 /nfs/dbraw/zinc/33/61/09/183336109.db2.gz CURXAMBMRGKVSV-GJZGRUSLSA-N 0 1 246.354 2.268 20 0 BEADMN c1cc([C@H]2CCCN2C[C@H]2CCCCO2)n[nH]1 ZINC000336629063 183364278 /nfs/dbraw/zinc/36/42/78/183364278.db2.gz AQKQPWVEKIVAEL-DGCLKSJQSA-N 0 1 235.331 2.116 20 0 BEADMN c1nn(-c2ccccc2)nc1CNCCC1CC1 ZINC000088455172 183387519 /nfs/dbraw/zinc/38/75/19/183387519.db2.gz KHWMGVXXTBPGTC-UHFFFAOYSA-N 0 1 242.326 2.157 20 0 BEADMN CCCN[C@H](C)c1nc(Cc2cccnc2)no1 ZINC000109510676 169288538 /nfs/dbraw/zinc/28/85/38/169288538.db2.gz HMSXWXHAUDHAEG-SNVBAGLBSA-N 0 1 246.314 2.116 20 0 BEADMN c1ccc(CN(CC2OCCO2)C2CC2)cc1 ZINC000122173846 183395841 /nfs/dbraw/zinc/39/58/41/183395841.db2.gz FXKNDMQKDYGPNI-UHFFFAOYSA-N 0 1 233.311 2.024 20 0 BEADMN CCCNCc1nc(-c2cccc(OC)c2)no1 ZINC000044291426 169269808 /nfs/dbraw/zinc/26/98/08/169269808.db2.gz UMWWIJOPAMHYJI-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN c1cnn([C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000102409511 183399061 /nfs/dbraw/zinc/39/90/61/183399061.db2.gz GMRPJGDDLWERJZ-CQSZACIVSA-N 0 1 242.326 2.115 20 0 BEADMN CCCSc1nc(-c2ccccn2)n[nH]1 ZINC000117114313 169341375 /nfs/dbraw/zinc/34/13/75/169341375.db2.gz YWWUBNDBEHFDGU-UHFFFAOYSA-N 0 1 220.301 2.369 20 0 BEADMN CCC[C@@H](C)CN1CC(OCCOCC)C1 ZINC000354197133 169357375 /nfs/dbraw/zinc/35/73/75/169357375.db2.gz YYRYOYLYHPMLKS-GFCCVEGCSA-N 0 1 229.364 2.160 20 0 BEADMN CCC[C@@H](C)C[N@@H+](CC(=O)[O-])C(C)C ZINC000051322592 169357948 /nfs/dbraw/zinc/35/79/48/169357948.db2.gz BEKMVYVKTNMIFD-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CCC[C@@H](C)CC(=O)Nc1nnc(CC)[nH]1 ZINC000123017682 169358123 /nfs/dbraw/zinc/35/81/23/169358123.db2.gz DGQYVQSADITHGC-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCC[C@@H](C)CC(=O)Nc1nc(CC)n[nH]1 ZINC000123017682 169358124 /nfs/dbraw/zinc/35/81/24/169358124.db2.gz DGQYVQSADITHGC-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCC[C@@H](C)CC(=O)Nc1nc(SC)n[nH]1 ZINC000263868021 169358167 /nfs/dbraw/zinc/35/81/67/169358167.db2.gz KTIZTENZSPJXIX-SSDOTTSWSA-N 0 1 242.348 2.291 20 0 BEADMN CCC[C@@H](C)CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000356282299 169358913 /nfs/dbraw/zinc/35/89/13/169358913.db2.gz PAELHKBZKXHDGX-YPMHNXCESA-N 0 1 239.359 2.103 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268970429 169374385 /nfs/dbraw/zinc/37/43/85/169374385.db2.gz DNVVADSVRDBOHB-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@@H](CC)SCc1nn[nH]n1 ZINC000308247532 169380975 /nfs/dbraw/zinc/38/09/75/169380975.db2.gz XTDWBHMERCTOIJ-SSDOTTSWSA-N 0 1 200.311 2.012 20 0 BEADMN c1nc(CNC[C@H]2CSCCS2)cs1 ZINC000131167281 183531309 /nfs/dbraw/zinc/53/13/09/183531309.db2.gz YXAMKXRHJSMJHG-VIFPVBQESA-N 0 1 246.426 2.081 20 0 BEADMN CCC[C@@](C)([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC000036808169 169454767 /nfs/dbraw/zinc/45/47/67/169454767.db2.gz KFSZRMWKUSJNPJ-LLVKDONJSA-N 0 1 242.344 2.185 20 0 BEADMN CCC[C@H](NCC(=O)NC(C)C)c1cccnc1 ZINC000184895925 169510179 /nfs/dbraw/zinc/51/01/79/169510179.db2.gz UVMHDJBMIXOTFE-ZDUSSCGKSA-N 0 1 249.358 2.037 20 0 BEADMN CC(C)n1ccc(CN(C)CCCCCO)n1 ZINC000227117914 134373474 /nfs/dbraw/zinc/37/34/74/134373474.db2.gz ZDODRSAETVSDAZ-UHFFFAOYSA-N 0 1 239.363 2.058 20 0 BEADMN Cc1csc(CN2CCCC[C@H]2CCO)n1 ZINC000087396297 383838059 /nfs/dbraw/zinc/83/80/59/383838059.db2.gz SNURRYVAZUBSPC-NSHDSACASA-N 0 1 240.372 2.188 20 0 BEADMN c1c(C2CC2)noc1-c1nc([C@H]2CCCN2)no1 ZINC000647144942 383839007 /nfs/dbraw/zinc/83/90/07/383839007.db2.gz JQLVSCDGPBGGJF-MRVPVSSYSA-N 0 1 246.270 2.027 20 0 BEADMN CCCc1nc(-c2nc([C@H]3CCCN3)no2)co1 ZINC000647144994 383840508 /nfs/dbraw/zinc/84/05/08/383840508.db2.gz LBJFWPGERRQTRX-MRVPVSSYSA-N 0 1 248.286 2.102 20 0 BEADMN C(Cc1nc([C@@H]2CCCN2)no1)CC1CC1 ZINC000647145211 383843104 /nfs/dbraw/zinc/84/31/04/383843104.db2.gz PXAHTXDOZQUSOU-JTQLQIEISA-N 0 1 221.304 2.227 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH+]2C3CCC2CC3)n1 ZINC000560017694 383846027 /nfs/dbraw/zinc/84/60/27/383846027.db2.gz FUCUTYOHVCBFAQ-KPPDAEKUSA-N 0 1 233.315 2.178 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2C3CCC2CC3)n1 ZINC000560017694 383846030 /nfs/dbraw/zinc/84/60/30/383846030.db2.gz FUCUTYOHVCBFAQ-KPPDAEKUSA-N 0 1 233.315 2.178 20 0 BEADMN C[C@H](NCC(=O)N(C)C)c1ccc(Cl)s1 ZINC000035286419 383846837 /nfs/dbraw/zinc/84/68/37/383846837.db2.gz RCESXKBRYRBCNT-ZETCQYMHSA-N 0 1 246.763 2.140 20 0 BEADMN Cc1n[nH]cc1CNCc1cccc(F)c1 ZINC000035273961 383847467 /nfs/dbraw/zinc/84/74/67/383847467.db2.gz BDXSPVPQQZFKOI-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN CCc1onc(C)c1-c1nc([C@@H]2CCCN2)no1 ZINC000647145960 383847871 /nfs/dbraw/zinc/84/78/71/383847871.db2.gz JOFBESQTETWDHV-QMMMGPOBSA-N 0 1 248.286 2.020 20 0 BEADMN CC[C@H]1CCCC[C@H]1N(C)CC(=O)OC ZINC000070074903 383859601 /nfs/dbraw/zinc/85/96/01/383859601.db2.gz PCBAFIROKNZVJM-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@@H](NC(=O)CN(C)C)C1CCCCC1 ZINC000409510765 383860089 /nfs/dbraw/zinc/86/00/89/383860089.db2.gz UFBCZZMOCHMDNM-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@H](CO)CC2)o1 ZINC000336431770 383872523 /nfs/dbraw/zinc/87/25/23/383872523.db2.gz UGATZOWMMJOXCI-NEPJUHHUSA-N 0 1 238.331 2.138 20 0 BEADMN FC(F)(F)CCCc1nc([C@H]2CCCN2)no1 ZINC000647147093 383873840 /nfs/dbraw/zinc/87/38/40/383873840.db2.gz KACBZZMEJVRBTF-SSDOTTSWSA-N 0 1 249.236 2.379 20 0 BEADMN CS[C@@H](C)CNCc1ncc(C)s1 ZINC000295886319 383874163 /nfs/dbraw/zinc/87/41/63/383874163.db2.gz YEIDNJVMEPUCKI-ZETCQYMHSA-N 0 1 216.375 2.293 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CC1(C)CCC1 ZINC000309319513 383877072 /nfs/dbraw/zinc/87/70/72/383877072.db2.gz GVJPWHQLPCGCHM-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)c1ccc(C(=O)N2CCN[C@H](C)C2)cc1 ZINC000088059092 383877456 /nfs/dbraw/zinc/87/74/56/383877456.db2.gz XQMARLHZUDZLGX-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN C(c1nc([C@@H]2CCCN2)no1)[C@@H]1CC[C@H]2C[C@H]21 ZINC000647144101 383833557 /nfs/dbraw/zinc/83/35/57/383833557.db2.gz MLZDNNXZVJUROL-MMWGEVLESA-N 0 1 233.315 2.083 20 0 BEADMN CCC1(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000647149113 383908871 /nfs/dbraw/zinc/90/88/71/383908871.db2.gz FFEFRNZYRQGTMS-VIFPVBQESA-N 0 1 221.304 2.326 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cccc(F)c1 ZINC000036864809 383913009 /nfs/dbraw/zinc/91/30/09/383913009.db2.gz XAXPBNPLZKPSDU-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN C[C@H](CO)CNCc1c(F)cccc1Cl ZINC000088195099 383884960 /nfs/dbraw/zinc/88/49/60/383884960.db2.gz DGLNSRPNQVCNBW-QMMMGPOBSA-N 0 1 231.698 2.197 20 0 BEADMN C1=C[C@@H](Cc2nc([C@@H]3CCCN3)no2)CC1 ZINC000647148555 383896509 /nfs/dbraw/zinc/89/65/09/383896509.db2.gz PWJSSPPMXYYHIT-ZJUUUORDSA-N 0 1 219.288 2.003 20 0 BEADMN Cc1nc(C)c(CNCC2=CCCC2)o1 ZINC000401147294 383989809 /nfs/dbraw/zinc/98/98/09/383989809.db2.gz JLIBTYLDGDSMIH-UHFFFAOYSA-N 0 1 206.289 2.491 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCC2(CCCC2)C1 ZINC000336485201 383994062 /nfs/dbraw/zinc/99/40/62/383994062.db2.gz RWZJQUPDMLQJNF-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN Cc1[nH]ncc1CNc1ccc2c(c1)CCO2 ZINC000037103930 383938058 /nfs/dbraw/zinc/93/80/58/383938058.db2.gz OZUYFWNBKRIGAY-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN CC1(C)CCCN(CC(=O)NC2CCCC2)C1 ZINC000112702350 383944281 /nfs/dbraw/zinc/94/42/81/383944281.db2.gz ZPMMCVOCHHIAJD-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN COC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000345353353 383957142 /nfs/dbraw/zinc/95/71/42/383957142.db2.gz KEMOBDHZBVNBGQ-TUAOUCFPSA-N 0 1 237.347 2.150 20 0 BEADMN c1c(CN2CCCSCC2)nc2ccccn12 ZINC000089981944 384017361 /nfs/dbraw/zinc/01/73/61/384017361.db2.gz KIPRDKPHHDLGJD-UHFFFAOYSA-N 0 1 247.367 2.273 20 0 BEADMN O=C([O-])CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000073738663 384020575 /nfs/dbraw/zinc/02/05/75/384020575.db2.gz GMAUJNKBNMYRQH-UHFFFAOYSA-N 0 1 236.658 2.385 20 0 BEADMN CCc1noc(C)c1-c1nc([C@H]2CCCN2)no1 ZINC000647155451 384021262 /nfs/dbraw/zinc/02/12/62/384021262.db2.gz ZTEXEQGXTOPPDD-SECBINFHSA-N 0 1 248.286 2.020 20 0 BEADMN COC[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000075765631 384051548 /nfs/dbraw/zinc/05/15/48/384051548.db2.gz RZXNBUCHRJMTAP-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN C[C@@H](NCc1csc(C2CC2)n1)[C@H](C)CO ZINC000077422036 384067592 /nfs/dbraw/zinc/06/75/92/384067592.db2.gz GTIRQWNUDRFFPE-RKDXNWHRSA-N 0 1 240.372 2.127 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nc(C)cs1 ZINC000038091127 384069786 /nfs/dbraw/zinc/06/97/86/384069786.db2.gz CNOCELRIBDTLBR-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@@H](C)c1nccs1 ZINC000091724052 384106418 /nfs/dbraw/zinc/10/64/18/384106418.db2.gz BJNUBESFDWHYDB-LPEHRKFASA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H](CC(C)(C)O)N[C@@H](C)c1nccs1 ZINC000296481764 384147729 /nfs/dbraw/zinc/14/77/29/384147729.db2.gz OGVLAZOCTIWZJF-IUCAKERBSA-N 0 1 228.361 2.343 20 0 BEADMN Cc1nc(CNC[C@H]2CCCS2)cs1 ZINC000087473177 384149578 /nfs/dbraw/zinc/14/95/78/384149578.db2.gz CFTJYHFJGHGTOT-SNVBAGLBSA-N 0 1 228.386 2.437 20 0 BEADMN c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH]n1 ZINC000530492706 384151628 /nfs/dbraw/zinc/15/16/28/384151628.db2.gz KGYOYTMDABFKQY-MRVWCRGKSA-N 0 1 249.358 2.095 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccc(C)s1 ZINC000091950312 384155398 /nfs/dbraw/zinc/15/53/98/384155398.db2.gz HZPQGSQKVCYMHD-UHFFFAOYSA-N 0 1 240.372 2.144 20 0 BEADMN CO[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000091772415 384144106 /nfs/dbraw/zinc/14/41/06/384144106.db2.gz FYGLHGLKJBEXIP-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC000092064204 384162755 /nfs/dbraw/zinc/16/27/55/384162755.db2.gz ONQYPVHPZJFESU-GFCCVEGCSA-N 0 1 239.388 2.138 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc2c(c1)CCC2 ZINC001645112493 1172635730 /nfs/dbraw/zinc/63/57/30/1172635730.db2.gz VVBUVXSKLCOARW-LLVKDONJSA-N 0 1 217.312 2.415 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC000132510442 384233811 /nfs/dbraw/zinc/23/38/11/384233811.db2.gz YVLWFXPRQGRUOK-ZJUUUORDSA-N 0 1 235.331 2.090 20 0 BEADMN COCc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000093418048 384235021 /nfs/dbraw/zinc/23/50/21/384235021.db2.gz HSTZZKOEHVTQBL-STQMWFEESA-N 0 1 249.354 2.442 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@]3(CCOC3)C2)o1 ZINC000336614862 384237224 /nfs/dbraw/zinc/23/72/24/384237224.db2.gz AIKSHVVQYCRVLP-DGCLKSJQSA-N 0 1 236.315 2.156 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000093455814 384238475 /nfs/dbraw/zinc/23/84/75/384238475.db2.gz RDTWXZWZSPAKGG-UHFFFAOYSA-N 0 1 232.327 2.472 20 0 BEADMN CN(Cc1ccco1)C[C@@H]1CCCCO1 ZINC000042366709 384213697 /nfs/dbraw/zinc/21/36/97/384213697.db2.gz MRBHDXFHVSIXOK-NSHDSACASA-N 0 1 209.289 2.281 20 0 BEADMN CN(Cc1cc(F)c(F)c(F)c1)[C@H]1CCOC1 ZINC000132118222 384216933 /nfs/dbraw/zinc/21/69/33/384216933.db2.gz BROMSPAFANMQTL-VIFPVBQESA-N 0 1 245.244 2.325 20 0 BEADMN CC(C)[C@@H]1N(Cc2ccn(C)n2)CC1(C)C ZINC000560556654 384224573 /nfs/dbraw/zinc/22/45/73/384224573.db2.gz RPUFFQNJDZFHHH-LBPRGKRZSA-N 0 1 221.348 2.287 20 0 BEADMN CC(C)[C@H]1N(Cc2ccn(C)n2)CC1(C)C ZINC000560556653 384224886 /nfs/dbraw/zinc/22/48/86/384224886.db2.gz RPUFFQNJDZFHHH-GFCCVEGCSA-N 0 1 221.348 2.287 20 0 BEADMN CC[C@@H](C[N@H+]1CCC[C@@H](OC(F)F)C1)OC ZINC000642700665 384228332 /nfs/dbraw/zinc/22/83/32/384228332.db2.gz DNKLEICGERQGRG-VHSXEESVSA-N 0 1 237.290 2.115 20 0 BEADMN C[C@H]1OCC[C@@]12C[N@@H+](CC1CCCC1)CCO2 ZINC000336620962 384244219 /nfs/dbraw/zinc/24/42/19/384244219.db2.gz MNUWPKPZAYSUMO-TZMCWYRMSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1cncc(F)c1 ZINC000158554658 384244342 /nfs/dbraw/zinc/24/43/42/384244342.db2.gz IMBWTLPDKKOQSR-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN CC[C@H]1CN(Cc2cn(C)nc2C)CCS1 ZINC000093501947 384245740 /nfs/dbraw/zinc/24/57/40/384245740.db2.gz HJDDDBKYSZTHCT-LBPRGKRZSA-N 0 1 239.388 2.056 20 0 BEADMN COC[C@@H]1CN(Cc2cccc(C)c2C)CCO1 ZINC000093528626 384248447 /nfs/dbraw/zinc/24/84/47/384248447.db2.gz STCWWMPEPLYCKG-HNNXBMFYSA-N 0 1 249.354 2.151 20 0 BEADMN COC(C)(C)C[C@@H](C)NCc1cscn1 ZINC000082626033 384250410 /nfs/dbraw/zinc/25/04/10/384250410.db2.gz JVXRTBCQZDHGPJ-SECBINFHSA-N 0 1 228.361 2.436 20 0 BEADMN Cc1c(F)cccc1NC(=O)CN(C)C(C)C ZINC000073392987 384251897 /nfs/dbraw/zinc/25/18/97/384251897.db2.gz NZXXRWCFFFRLPE-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN COCc1nc(CNC2CCCC2)cs1 ZINC000082686614 384256758 /nfs/dbraw/zinc/25/67/58/384256758.db2.gz NFTGRQZUPVGLDJ-UHFFFAOYSA-N 0 1 226.345 2.322 20 0 BEADMN Cc1c(CN[C@H](C)c2cccc(O)c2)cnn1C ZINC000093649954 384258757 /nfs/dbraw/zinc/25/87/57/384258757.db2.gz UVZUXOOLGHNSGC-SNVBAGLBSA-N 0 1 245.326 2.285 20 0 BEADMN COC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000119307039 384259121 /nfs/dbraw/zinc/25/91/21/384259121.db2.gz IYXIXZPIOYBJAO-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000119307039 384259127 /nfs/dbraw/zinc/25/91/27/384259127.db2.gz IYXIXZPIOYBJAO-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1csc(CN[C@H](C)[C@@H]2CCCO2)n1 ZINC000082725385 384259335 /nfs/dbraw/zinc/25/93/35/384259335.db2.gz QMZQMTUAGXFJDV-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN CCc1ccc(CNC[C@@H](C)[N@@H+](C)C2CC2)o1 ZINC000132945833 384264317 /nfs/dbraw/zinc/26/43/17/384264317.db2.gz QKFZWJZDKWNGEI-LLVKDONJSA-N 0 1 236.359 2.414 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2c(Cl)cccc2C1 ZINC000082791318 384266361 /nfs/dbraw/zinc/26/63/61/384266361.db2.gz WRFRTFUGGYJINC-QMMMGPOBSA-N 0 1 239.702 2.171 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000082791312 384267902 /nfs/dbraw/zinc/26/79/02/384267902.db2.gz SLWHFVKACLJRLQ-UHFFFAOYSA-N 0 1 239.702 2.173 20 0 BEADMN CN(Cc1c(F)cccc1F)C[C@H]1CCOC1 ZINC000093840379 384272694 /nfs/dbraw/zinc/27/26/94/384272694.db2.gz AZYDMAFFVDAMHA-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361183887 384273535 /nfs/dbraw/zinc/27/35/35/384273535.db2.gz GAGJULLMTAWGOS-UBHSHLNASA-N 0 1 247.338 2.283 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000426889146 384305050 /nfs/dbraw/zinc/30/50/50/384305050.db2.gz CXCSFJBXVHTBHY-DGCLKSJQSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nnc(SCCC[C@H]2CCOC2)[nH]1 ZINC000647116034 384308980 /nfs/dbraw/zinc/30/89/80/384308980.db2.gz HXVXRUJUWPCJDF-VIFPVBQESA-N 0 1 241.360 2.276 20 0 BEADMN CCc1n[nH]c(SCCC[C@H]2CCOC2)n1 ZINC000647116034 384308983 /nfs/dbraw/zinc/30/89/83/384308983.db2.gz HXVXRUJUWPCJDF-VIFPVBQESA-N 0 1 241.360 2.276 20 0 BEADMN Cc1ccc([C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044116824 384312996 /nfs/dbraw/zinc/31/29/96/384312996.db2.gz JHMZZTIILPJORG-GUTXKFCHSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1nnsc1CNCc1cccs1 ZINC000083575250 384314275 /nfs/dbraw/zinc/31/42/75/384314275.db2.gz LWKOPOUQEQPUON-UHFFFAOYSA-N 0 1 225.342 2.198 20 0 BEADMN CCOCCN1CCc2ccc(F)cc2C1 ZINC000133862247 384316736 /nfs/dbraw/zinc/31/67/36/384316736.db2.gz HQSAKKMGJPFROF-UHFFFAOYSA-N 0 1 223.291 2.220 20 0 BEADMN Fc1ccc2c(c1)CN(C[C@@H]1CCCO1)CC2 ZINC000133913781 384318887 /nfs/dbraw/zinc/31/88/87/384318887.db2.gz ASKZIVVVSCGDGH-AWEZNQCLSA-N 0 1 235.302 2.363 20 0 BEADMN CC(C)(C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000158842480 384278518 /nfs/dbraw/zinc/27/85/18/384278518.db2.gz KQHFVPBABLWPMB-UHFFFAOYSA-N 0 1 244.298 2.000 20 0 BEADMN CC(C)(C)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000119514940 384280735 /nfs/dbraw/zinc/28/07/35/384280735.db2.gz FTVUSHCIEKXFTI-UHFFFAOYSA-N 0 1 239.344 2.389 20 0 BEADMN CC(C)(C)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000119514940 384280743 /nfs/dbraw/zinc/28/07/43/384280743.db2.gz FTVUSHCIEKXFTI-UHFFFAOYSA-N 0 1 239.344 2.389 20 0 BEADMN CCOC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000083143203 384284551 /nfs/dbraw/zinc/28/45/51/384284551.db2.gz GFZLFPWTNFRUQX-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@@H]1CCc2ccccc2C1 ZINC000516787186 384287365 /nfs/dbraw/zinc/28/73/65/384287365.db2.gz PPEJOWVAPBAKFW-GFCCVEGCSA-N 0 1 247.338 2.198 20 0 BEADMN CC[C@H](COC)N[C@H](C)c1cc(C)on1 ZINC000282489987 384294508 /nfs/dbraw/zinc/29/45/08/384294508.db2.gz HQRIEAVZZWEGMH-NXEZZACHSA-N 0 1 212.293 2.059 20 0 BEADMN CCc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000083406695 384298039 /nfs/dbraw/zinc/29/80/39/384298039.db2.gz RNKJJJFEQOQECW-JTQLQIEISA-N 0 1 221.300 2.154 20 0 BEADMN C[C@]1(NCc2cc(F)ccc2F)CCOC1 ZINC000120193199 384335215 /nfs/dbraw/zinc/33/52/15/384335215.db2.gz KEPHOSRHBVAXAB-LBPRGKRZSA-N 0 1 227.254 2.233 20 0 BEADMN C[C@H](N[C@@H](C)c1ccncc1)c1cnn(C)c1 ZINC000044494927 384335629 /nfs/dbraw/zinc/33/56/29/384335629.db2.gz UKCPTYQKRIVUPH-QWRGUYRKSA-N 0 1 230.315 2.227 20 0 BEADMN Cn1cc(CN[C@H]2CCc3cc(F)ccc32)cn1 ZINC000133989996 384325318 /nfs/dbraw/zinc/32/53/18/384325318.db2.gz YFPPTGDJSJZTLU-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN [NH2+]=c1[n-]nc(SCC2=CCCC2)n1C1CC1 ZINC000647116494 384325423 /nfs/dbraw/zinc/32/54/23/384325423.db2.gz PONZXZMFQCGCNY-UHFFFAOYSA-N 0 1 236.344 2.228 20 0 BEADMN Cc1nccc(NC[C@@H]2CC[C@@H](O)C2)c1Cl ZINC000335557893 384325825 /nfs/dbraw/zinc/32/58/25/384325825.db2.gz LQWPOHOBLPIHFD-NXEZZACHSA-N 0 1 240.734 2.038 20 0 BEADMN Cc1nccc(N2CCC[C@H](CO)C2)c1Cl ZINC000335557928 384326599 /nfs/dbraw/zinc/32/65/99/384326599.db2.gz WURWUGPMOYLFSU-JTQLQIEISA-N 0 1 240.734 2.252 20 0 BEADMN Cc1noc(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000120138999 384331383 /nfs/dbraw/zinc/33/13/83/384331383.db2.gz SOQJEPQYOMFEQX-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CO[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000075712828 384334729 /nfs/dbraw/zinc/33/47/29/384334729.db2.gz CQDJKOKRVWGWNA-GJZGRUSLSA-N 0 1 249.354 2.139 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000175071062 384392653 /nfs/dbraw/zinc/39/26/53/384392653.db2.gz IBYLRCROYDLXKH-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@]1(NCc2ccc(Cl)o2)CCOC1 ZINC000160198519 384393911 /nfs/dbraw/zinc/39/39/11/384393911.db2.gz ZFIVQQAISMRWLX-SNVBAGLBSA-N 0 1 215.680 2.202 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(Cc1nccc(N)n1)C1CC1 ZINC000135046346 384410128 /nfs/dbraw/zinc/41/01/28/384410128.db2.gz RKVJMPPQPCSQQY-GHMZBOCLSA-N 0 1 248.374 2.458 20 0 BEADMN c1csc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000135143492 384413894 /nfs/dbraw/zinc/41/38/94/384413894.db2.gz RCQRPUUXKUBMTO-AOOOYVTPSA-N 0 1 208.330 2.375 20 0 BEADMN COC[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(C)o1 ZINC000121501772 384420502 /nfs/dbraw/zinc/42/05/02/384420502.db2.gz XSFIAIQHIPWQLK-WOPDTQHZSA-N 0 1 239.315 2.043 20 0 BEADMN CN(C)c1ncc(CN2CC(C3CC3)C2)s1 ZINC000643346056 384423538 /nfs/dbraw/zinc/42/35/38/384423538.db2.gz YFRPOAXFUFYONI-UHFFFAOYSA-N 0 1 237.372 2.051 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000449427387 384375408 /nfs/dbraw/zinc/37/54/08/384375408.db2.gz NXHBYMAPVSECIJ-GFCCVEGCSA-N 0 1 249.310 2.441 20 0 BEADMN CCOc1cccc(CN2CC(C3CC3)C2)n1 ZINC000643345150 384376241 /nfs/dbraw/zinc/37/62/41/384376241.db2.gz DKXGBSGKQXGTAR-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@@H]2C)c(C)s1 ZINC000335608314 384383329 /nfs/dbraw/zinc/38/33/29/384383329.db2.gz KIGHIIYVOOSXLN-BXKDBHETSA-N 0 1 240.372 2.417 20 0 BEADMN C[C@H](N[C@H]1CCC(C)(C)C1)c1ncn(C)n1 ZINC000335608597 384383636 /nfs/dbraw/zinc/38/36/36/384383636.db2.gz VNHHCMYZHDCQBL-UWVGGRQHSA-N 0 1 222.336 2.044 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCCCC2(C)C)[nH]n1 ZINC000134741333 384383653 /nfs/dbraw/zinc/38/36/53/384383653.db2.gz SBVKEBZSQLIHOB-GFCCVEGCSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@H]2C)c(C)s1 ZINC000335608345 384383907 /nfs/dbraw/zinc/38/39/07/384383907.db2.gz KIGHIIYVOOSXLN-JOYOIKCWSA-N 0 1 240.372 2.417 20 0 BEADMN CCS[C@@H]1CCCC[N@H+]([C@H](CC)C(=O)[O-])C1 ZINC000248987052 384446493 /nfs/dbraw/zinc/44/64/93/384446493.db2.gz VRHLCSVZPOOGEZ-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN CCN(CCC(F)(F)F)Cc1ccc(N)nc1 ZINC000647515228 384449654 /nfs/dbraw/zinc/44/96/54/384449654.db2.gz VUOGPXIJDWHCAH-UHFFFAOYSA-N 0 1 247.264 2.268 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000516799383 384452970 /nfs/dbraw/zinc/45/29/70/384452970.db2.gz VRUAMKKCLNXSOB-BXKDBHETSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C ZINC000051361435 384455166 /nfs/dbraw/zinc/45/51/66/384455166.db2.gz NTYIZFWMJIHRIY-QMMMGPOBSA-N 0 1 223.272 2.271 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc(N)nc2)s1 ZINC000647515477 384455839 /nfs/dbraw/zinc/45/58/39/384455839.db2.gz HOCYNVSUOTVXRR-UHFFFAOYSA-N 0 1 247.367 2.496 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@H]1CCCCS1)CC2 ZINC000334357006 384456268 /nfs/dbraw/zinc/45/62/68/384456268.db2.gz OTRNOWPYWQFNCH-MNOVXSKESA-N 0 1 237.372 2.203 20 0 BEADMN CC(C)C[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000121785827 384438991 /nfs/dbraw/zinc/43/89/91/384438991.db2.gz VMDAUUINEDKZLT-VIFPVBQESA-N 0 1 235.331 2.063 20 0 BEADMN COC[C@@H](NCc1nc(C)c(C)s1)C1CC1 ZINC000122155646 384461123 /nfs/dbraw/zinc/46/11/23/384461123.db2.gz WQFOZHXLBNLIPE-LLVKDONJSA-N 0 1 240.372 2.275 20 0 BEADMN CC(C)(C)NC(=O)CNC/C=C/c1ccccc1 ZINC000102420849 384464018 /nfs/dbraw/zinc/46/40/18/384464018.db2.gz VTPIVZAQRUQSBH-JXMROGBWSA-N 0 1 246.354 2.204 20 0 BEADMN FC1(F)CCC[C@@H]1CN[C@@H]1CCn2ccnc21 ZINC000335662667 384466857 /nfs/dbraw/zinc/46/68/57/384466857.db2.gz KOXWCQDFZXHLBX-NXEZZACHSA-N 0 1 241.285 2.353 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ccon2)C12CCC2 ZINC000148699611 384472465 /nfs/dbraw/zinc/47/24/65/384472465.db2.gz XQPGUIOFDPIRKF-NEPJUHHUSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@H]1C[C@@H](NCc2cccc(O)c2Cl)CO1 ZINC000335664622 384478880 /nfs/dbraw/zinc/47/88/80/384478880.db2.gz UVQJHHDZKSLWML-WCBMZHEXSA-N 0 1 241.718 2.313 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000449241026 384496511 /nfs/dbraw/zinc/49/65/11/384496511.db2.gz QOXSVJQLCAHKSB-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1nccc(N2CCC[C@@H](O)CC2)c1Cl ZINC000335757603 384496766 /nfs/dbraw/zinc/49/67/66/384496766.db2.gz ZFHAPQNLHFZVBP-SNVBAGLBSA-N 0 1 240.734 2.395 20 0 BEADMN COC(CN(C)[C@@H](C)c1ccc(F)cc1)OC ZINC000136717599 384503713 /nfs/dbraw/zinc/50/37/13/384503713.db2.gz LTRQESXXLMJRDM-JTQLQIEISA-N 0 1 241.306 2.437 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCCSCC1 ZINC000089979891 384518551 /nfs/dbraw/zinc/51/85/51/384518551.db2.gz ZAOBCJBKXJORTN-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN O=C(CC1CCC1)Nc1nc(-c2ccco2)n[nH]1 ZINC000079988446 384523864 /nfs/dbraw/zinc/52/38/64/384523864.db2.gz MAJXFNDDPSWTCD-UHFFFAOYSA-N 0 1 246.270 2.193 20 0 BEADMN CCN(CC)C(=O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000097491829 384527268 /nfs/dbraw/zinc/52/72/68/384527268.db2.gz YJSLFVGQZYTFIB-ZDUSSCGKSA-N 0 1 249.358 2.020 20 0 BEADMN C[C@@H](NC1CCC(C)(C)CC1)c1ncn(C)n1 ZINC000335863834 384527489 /nfs/dbraw/zinc/52/74/89/384527489.db2.gz RIYKXXRODWXNPA-SNVBAGLBSA-N 0 1 236.363 2.435 20 0 BEADMN c1cc(C[NH2+]Cc2ccc3nc[nH]c3c2)co1 ZINC000518760706 384544236 /nfs/dbraw/zinc/54/42/36/384544236.db2.gz QCDZUZSVLIFZFW-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN c1cc(CNCc2ccc3[nH]cnc3c2)co1 ZINC000518760706 384544242 /nfs/dbraw/zinc/54/42/42/384544242.db2.gz QCDZUZSVLIFZFW-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN CCCC[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000031945137 384550518 /nfs/dbraw/zinc/55/05/18/384550518.db2.gz UPXKFCMYFQLGJY-UHFFFAOYSA-N 0 1 242.344 2.463 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC3(CCC3)C2)n1 ZINC000123348932 384551937 /nfs/dbraw/zinc/55/19/37/384551937.db2.gz YTYUWUBDGZRVMG-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@H]2CCCO2)s1 ZINC000183681251 384559486 /nfs/dbraw/zinc/55/94/86/384559486.db2.gz AIGWLGAKGLCTNK-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN COC[C@H](C)NCc1c(Cl)cccc1OC ZINC000162014784 384560497 /nfs/dbraw/zinc/56/04/97/384560497.db2.gz NHGUQRNYKRXESB-VIFPVBQESA-N 0 1 243.734 2.473 20 0 BEADMN CN(CCC1OCCO1)Cc1ccccc1F ZINC000123581594 384570436 /nfs/dbraw/zinc/57/04/36/384570436.db2.gz GKUSPPZGMDFJGG-UHFFFAOYSA-N 0 1 239.290 2.021 20 0 BEADMN C[C@H](NCc1cnn(C)c1)c1ccc(F)cc1 ZINC000020095890 384574796 /nfs/dbraw/zinc/57/47/96/384574796.db2.gz LURCGBOVWDVEOZ-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1cc(C)on1 ZINC000647336580 384576465 /nfs/dbraw/zinc/57/64/65/384576465.db2.gz CPVWDKUZJUSOBB-DLOVCJGASA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc(OCCC[C@@H](C)O)cc(C)n1 ZINC000561227919 384577599 /nfs/dbraw/zinc/57/75/99/384577599.db2.gz CVOAMCJUGNVZOV-LLVKDONJSA-N 0 1 209.289 2.238 20 0 BEADMN C[C@@H]1C[C@@H](NCC(F)(F)CO)CC(C)(C)C1 ZINC000183871171 384578245 /nfs/dbraw/zinc/57/82/45/384578245.db2.gz FYHAXLVBRKOQTM-NXEZZACHSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@H](O)CN[C@@H](C)c1c(F)cccc1F ZINC000162192614 384587095 /nfs/dbraw/zinc/58/70/95/384587095.db2.gz WNWAHKCJUPRCME-IUCAKERBSA-N 0 1 229.270 2.386 20 0 BEADMN Cn1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000531117586 384587991 /nfs/dbraw/zinc/58/79/91/384587991.db2.gz MSXJRAIHLDMDHZ-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000184284867 384589599 /nfs/dbraw/zinc/58/95/99/384589599.db2.gz HDKFQPJSEOYKDX-PUTJDCORSA-N 0 1 243.372 2.260 20 0 BEADMN CCN(CCO)Cc1cc(Cl)ccc1OC ZINC000049754797 384565834 /nfs/dbraw/zinc/56/58/34/384565834.db2.gz XEPOYMMCRBBUNF-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CCC[C@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000050183511 384606238 /nfs/dbraw/zinc/60/62/38/384606238.db2.gz MTTPAFSQPVAFAU-JTQLQIEISA-N 0 1 237.347 2.203 20 0 BEADMN CC(C)CCOCCN1CCOC2(CCC2)C1 ZINC000154314812 384607478 /nfs/dbraw/zinc/60/74/78/384607478.db2.gz XKTSQHQSPIRJPU-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn[nH]1 ZINC000081178258 384607727 /nfs/dbraw/zinc/60/77/27/384607727.db2.gz BMDGYCUFUVIVEU-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCc1ccccc1 ZINC000139344306 384613358 /nfs/dbraw/zinc/61/33/58/384613358.db2.gz WEZILPMUTKJYET-OLZOCXBDSA-N 0 1 219.328 2.338 20 0 BEADMN CCC(CC)c1nc(C2(N)CCC2)no1 ZINC000309800020 384618607 /nfs/dbraw/zinc/61/86/07/384618607.db2.gz QZLLHOWIGUQWOW-UHFFFAOYSA-N 0 1 209.293 2.311 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC1(C)C ZINC000517962052 384596447 /nfs/dbraw/zinc/59/64/47/384596447.db2.gz YJPDIKPOIRDSLA-MNOVXSKESA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)CC1(C)C ZINC000517962054 384597754 /nfs/dbraw/zinc/59/77/54/384597754.db2.gz YJPDIKPOIRDSLA-QWRGUYRKSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1csc([C@@H](C)NC[C@H](O)C(C)C)n1 ZINC000300844877 384601573 /nfs/dbraw/zinc/60/15/73/384601573.db2.gz FXUICEBUKAVCGQ-ZJUUUORDSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1n[nH]c(C(=O)NC2CCCCC2)c1C ZINC000082301367 384663495 /nfs/dbraw/zinc/66/34/95/384663495.db2.gz FUCLRCCGZJRTMG-UHFFFAOYSA-N 0 1 221.304 2.089 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000277064316 384665691 /nfs/dbraw/zinc/66/56/91/384665691.db2.gz UPJYCRBWBSNAKI-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1C ZINC000082322790 384665711 /nfs/dbraw/zinc/66/57/11/384665711.db2.gz HZHZEOISOCZGAW-CYBMUJFWSA-N 0 1 232.327 2.336 20 0 BEADMN Cc1ccc(-c2cc(CN(C)CCO)on2)cc1 ZINC000047953354 384668675 /nfs/dbraw/zinc/66/86/75/384668675.db2.gz KKIQNZRHWKDAEM-UHFFFAOYSA-N 0 1 246.310 2.074 20 0 BEADMN CC(C)Cn1nccc1CNCc1ccn(C)c1 ZINC000647189457 384672231 /nfs/dbraw/zinc/67/22/31/384672231.db2.gz WVOSXHVQNGFWAQ-UHFFFAOYSA-N 0 1 246.358 2.167 20 0 BEADMN Cc1ccc(C(=O)NCc2cnc[nH]2)c(Cl)c1 ZINC000235852097 384635347 /nfs/dbraw/zinc/63/53/47/384635347.db2.gz PFPZXPABJSHPAK-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647351033 384636039 /nfs/dbraw/zinc/63/60/39/384636039.db2.gz JZACUAWXKQWKOH-UTUOFQBUSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)CC(C)C ZINC000184708663 384641220 /nfs/dbraw/zinc/64/12/20/384641220.db2.gz KLZADTZUKFGZGI-SECBINFHSA-N 0 1 223.320 2.017 20 0 BEADMN CCc1ccc([C@@H](COC)NCCSC)o1 ZINC000184786083 384650042 /nfs/dbraw/zinc/65/00/42/384650042.db2.gz OHFBIUMVKKIULI-LLVKDONJSA-N 0 1 243.372 2.482 20 0 BEADMN Cc1ccc2nc(C[NH2+][C@H]3CO[C@H](C)C3)[nH]c2c1 ZINC000647189026 384650448 /nfs/dbraw/zinc/65/04/48/384650448.db2.gz ZBZKOGCSAMPTAT-GHMZBOCLSA-N 0 1 245.326 2.138 20 0 BEADMN Cc1ccc2[nH]c(CN[C@H]3CO[C@H](C)C3)nc2c1 ZINC000647189026 384650456 /nfs/dbraw/zinc/65/04/56/384650456.db2.gz ZBZKOGCSAMPTAT-GHMZBOCLSA-N 0 1 245.326 2.138 20 0 BEADMN Cc1ccc2nc(C[NH2+][C@@H]3CO[C@H](C)C3)[nH]c2c1 ZINC000647189027 384651100 /nfs/dbraw/zinc/65/11/00/384651100.db2.gz ZBZKOGCSAMPTAT-MNOVXSKESA-N 0 1 245.326 2.138 20 0 BEADMN Cc1ccc2[nH]c(CN[C@@H]3CO[C@H](C)C3)nc2c1 ZINC000647189027 384651105 /nfs/dbraw/zinc/65/11/05/384651105.db2.gz ZBZKOGCSAMPTAT-MNOVXSKESA-N 0 1 245.326 2.138 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2C)n[nH]1 ZINC000173158411 384660417 /nfs/dbraw/zinc/66/04/17/384660417.db2.gz BWKMFULIAZGDEK-VIFPVBQESA-N 0 1 221.304 2.158 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)n[nH]1 ZINC000271268737 384724815 /nfs/dbraw/zinc/72/48/15/384724815.db2.gz AHSJMJZXFWVWHC-JTQLQIEISA-N 0 1 247.342 2.370 20 0 BEADMN Cc1noc([C@H](C)NC2CCCCC2)n1 ZINC000335913692 384677475 /nfs/dbraw/zinc/67/74/75/384677475.db2.gz BDSKDOVZMKZBOH-QMMMGPOBSA-N 0 1 209.293 2.361 20 0 BEADMN C[C@@H](NCCC(C)(F)F)c1nccn1C ZINC000357717012 384681964 /nfs/dbraw/zinc/68/19/64/384681964.db2.gz PTURMRMENOPATR-MRVPVSSYSA-N 0 1 217.263 2.116 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000162800775 384688200 /nfs/dbraw/zinc/68/82/00/384688200.db2.gz OXXDYLLPWHCQSN-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1ccnc(CN[C@H]2CCCC2(C)C)n1 ZINC000335918377 384693874 /nfs/dbraw/zinc/69/38/74/384693874.db2.gz URPZKSKEKHUBFF-NSHDSACASA-N 0 1 219.332 2.453 20 0 BEADMN c1snnc1CNc1cc2c(cn1)CCC2 ZINC000556959389 384694603 /nfs/dbraw/zinc/69/46/03/384694603.db2.gz VOJJKWSJLYIIAJ-UHFFFAOYSA-N 0 1 232.312 2.034 20 0 BEADMN c1cnc(CN2CCSC[C@H]2C2CCC2)cn1 ZINC000334941076 384698892 /nfs/dbraw/zinc/69/88/92/384698892.db2.gz OKTMMOVGWBYMJU-ZDUSSCGKSA-N 0 1 249.383 2.194 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(CC(=O)OC)C1CC1 ZINC000104966082 384727087 /nfs/dbraw/zinc/72/70/87/384727087.db2.gz CLPUWXUOWMFOGQ-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1csc(CN(C)[C@H](CO)CC(C)C)n1 ZINC000185341564 384704702 /nfs/dbraw/zinc/70/47/02/384704702.db2.gz XYNITAALGBEHPJ-NSHDSACASA-N 0 1 242.388 2.290 20 0 BEADMN CCCc1csc(CNC[C@](C)(O)CC)n1 ZINC000309914648 384709566 /nfs/dbraw/zinc/70/95/66/384709566.db2.gz OPWIPPYKKJVGSW-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cc(CC(=O)NC2(C)CCCCC2)[nH]n1 ZINC000125389977 384713982 /nfs/dbraw/zinc/71/39/82/384713982.db2.gz LHFUIBVIESMJRM-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nccs2)C1(C)C ZINC000082784205 384714563 /nfs/dbraw/zinc/71/45/63/384714563.db2.gz FHKLLPBEEGHMDR-UWVGGRQHSA-N 0 1 240.372 2.436 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2nccs2)C1(C)C ZINC000082784206 384715750 /nfs/dbraw/zinc/71/57/50/384715750.db2.gz FHKLLPBEEGHMDR-NXEZZACHSA-N 0 1 240.372 2.436 20 0 BEADMN CC[C@@H](CC(=O)NCC[N@@H+](C)CC)C(C)C ZINC000105329145 384776234 /nfs/dbraw/zinc/77/62/34/384776234.db2.gz RHQBDXPGBFSIKG-LBPRGKRZSA-N 0 1 228.380 2.127 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@@H]2CCC[C@H]21 ZINC000335948082 384731561 /nfs/dbraw/zinc/73/15/61/384731561.db2.gz YRCYCTCKNXLFKQ-NWDGAFQWSA-N 0 1 232.327 2.082 20 0 BEADMN CO[C@H]1CN(Cc2cc(C)ns2)CC[C@@H]1C ZINC000643892307 384731648 /nfs/dbraw/zinc/73/16/48/384731648.db2.gz WEIMIEFEZHYLEI-CABZTGNLSA-N 0 1 240.372 2.308 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000335948081 384731780 /nfs/dbraw/zinc/73/17/80/384731780.db2.gz YRCYCTCKNXLFKQ-NEPJUHHUSA-N 0 1 232.327 2.082 20 0 BEADMN Cc1ccnc(NC[C@@H]2CC[C@H](C)O2)c1 ZINC000334813263 384733146 /nfs/dbraw/zinc/73/31/46/384733146.db2.gz OSOSYJJBEODZCP-QWRGUYRKSA-N 0 1 206.289 2.369 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCC[C@@H]2O)cs1 ZINC000271494748 384736477 /nfs/dbraw/zinc/73/64/77/384736477.db2.gz MIVSIUWYTDAVMA-ARENWVFISA-N 0 1 226.345 2.016 20 0 BEADMN C[C@@H](O)C[C@H]1CCCCN1Cc1nccs1 ZINC000163099526 384739475 /nfs/dbraw/zinc/73/94/75/384739475.db2.gz LLIAOJVHBQCEST-GHMZBOCLSA-N 0 1 240.372 2.269 20 0 BEADMN Nc1cc(CN2CCc3ccccc3C2)ccn1 ZINC000052716957 384742369 /nfs/dbraw/zinc/74/23/69/384742369.db2.gz SVESJCDJZPCENB-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1CCC[C@H]1C ZINC000185893483 384779564 /nfs/dbraw/zinc/77/95/64/384779564.db2.gz YHKUJLMWHFCAJT-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN CCN(CC)CC(=O)N(CC)c1ccccc1 ZINC000052868277 384750366 /nfs/dbraw/zinc/75/03/66/384750366.db2.gz HJWZXCWSWSOULV-UHFFFAOYSA-N 0 1 234.343 2.381 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000300964526 384751598 /nfs/dbraw/zinc/75/15/98/384751598.db2.gz RKOORENGTHLEDW-QWRGUYRKSA-N 0 1 245.388 2.171 20 0 BEADMN CO[C@@H]1C[C@@H](N(C)Cc2n[nH]cc2C)C12CCC2 ZINC000449637369 384780059 /nfs/dbraw/zinc/78/00/59/384780059.db2.gz ZHYAXPOLGNXUTG-CHWSQXEVSA-N 0 1 249.358 2.108 20 0 BEADMN CCCc1csc(CNC2(CO)CCC2)n1 ZINC000309989938 384761014 /nfs/dbraw/zinc/76/10/14/384761014.db2.gz ZUNXVCOFHAFKBU-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CCn1ccnc1CN(C)CC1CCC1 ZINC000171970955 384761460 /nfs/dbraw/zinc/76/14/60/384761460.db2.gz SLFKSCWLJLOVAF-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN COC(=O)CCCN[C@@H](C)c1ncc(C)s1 ZINC000126072303 384769489 /nfs/dbraw/zinc/76/94/89/384769489.db2.gz HJLNTQJMHVHLHQ-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000054070196 384818022 /nfs/dbraw/zinc/81/80/22/384818022.db2.gz YFVNYMBHNJISGB-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN Cc1nnc(NC(=O)C[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000103258276 384822632 /nfs/dbraw/zinc/82/26/32/384822632.db2.gz ZGJLGCHRMKRUJE-WPRPVWTQSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)C[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000103258281 384823232 /nfs/dbraw/zinc/82/32/32/384823232.db2.gz ZGJLGCHRMKRUJE-SCZZXKLOSA-N 0 1 236.319 2.268 20 0 BEADMN Fc1cc(CN2CCCC2)c2c(c1)COCO2 ZINC000053398333 384785507 /nfs/dbraw/zinc/78/55/07/384785507.db2.gz WDRIJYITTAQOTP-UHFFFAOYSA-N 0 1 237.274 2.288 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000104569413 384835992 /nfs/dbraw/zinc/83/59/92/384835992.db2.gz VYBDLVUSIQWWDO-ZJUUUORDSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H](NCc1cncn1C)c1ccncc1 ZINC000174437328 384790110 /nfs/dbraw/zinc/79/01/10/384790110.db2.gz YKIJDXWEURYZHT-ZDUSSCGKSA-N 0 1 230.315 2.056 20 0 BEADMN Cc1nnc([C@H](C)NCCc2ccncc2)s1 ZINC000289600807 384790123 /nfs/dbraw/zinc/79/01/23/384790123.db2.gz SWEXFZHVBUBZMD-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN CC[N@@H+](CC(=O)N1CCCCC1)[C@H](C)C(C)C ZINC000065299490 384794191 /nfs/dbraw/zinc/79/41/91/384794191.db2.gz NRMVWIODMPAKQC-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000087474455 384800107 /nfs/dbraw/zinc/80/01/07/384800107.db2.gz IMRDRCWZHDBNNN-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1CCCCCC1 ZINC000053715470 384803004 /nfs/dbraw/zinc/80/30/04/384803004.db2.gz XHGOLTOVHNQHNZ-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN C[C@@H](N[C@@H]1CCCOC1)c1cc2n(n1)CCCC2 ZINC000647288921 384805552 /nfs/dbraw/zinc/80/55/52/384805552.db2.gz UXOGHONMZJULTH-VXGBXAGGSA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H](F)CN[C@H](CO)c1cccc(F)c1 ZINC000310039916 384810017 /nfs/dbraw/zinc/81/00/17/384810017.db2.gz XKSYIHMDTCIXQQ-CMPLNLGQSA-N 0 1 229.270 2.197 20 0 BEADMN CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCO1 ZINC000042464064 384814850 /nfs/dbraw/zinc/81/48/50/384814850.db2.gz MHVRJCXKJFEXSU-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC1(CO)CC1 ZINC000186782701 384878600 /nfs/dbraw/zinc/87/86/00/384878600.db2.gz JXHJEPRGHXKIIY-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)o1 ZINC000127384990 384890189 /nfs/dbraw/zinc/89/01/89/384890189.db2.gz UWIGKYSDKXZJMJ-SDDRHHMPSA-N 0 1 221.300 2.176 20 0 BEADMN Cc1ncc(CN[C@H]2COc3ccccc3C2)o1 ZINC000335182491 384844542 /nfs/dbraw/zinc/84/45/42/384844542.db2.gz URMJCLREWBNEQZ-GFCCVEGCSA-N 0 1 244.294 2.076 20 0 BEADMN COCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000126933603 384844739 /nfs/dbraw/zinc/84/47/39/384844739.db2.gz FDQMDUVZTWOQFJ-STQMWFEESA-N 0 1 249.354 2.442 20 0 BEADMN Cc1cccc2[nH]c(CN[C@H]3CO[C@@H](C)C3)nc21 ZINC000647197994 384845057 /nfs/dbraw/zinc/84/50/57/384845057.db2.gz YISYVMWURQOASL-WDEREUQCSA-N 0 1 245.326 2.138 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NCc1cncs1 ZINC000054770968 384854727 /nfs/dbraw/zinc/85/47/27/384854727.db2.gz SOHXWRYWIJXYOF-NSHDSACASA-N 0 1 248.355 2.044 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)n[nH]1 ZINC000175119179 384867988 /nfs/dbraw/zinc/86/79/88/384867988.db2.gz HPLRLNDXKFXYLY-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN CCOCCN1CCOC2(C1)CCCCCC2 ZINC000119689667 384950368 /nfs/dbraw/zinc/95/03/68/384950368.db2.gz FVKAFTOZYPEZCD-UHFFFAOYSA-N 0 1 241.375 2.448 20 0 BEADMN c1nc2c(ncnc2NCC2(C3CC3)CCC2)[nH]1 ZINC000128430252 384950337 /nfs/dbraw/zinc/95/03/37/384950337.db2.gz XISLXHWWQFRUNB-UHFFFAOYSA-N 0 1 243.314 2.345 20 0 BEADMN CN(CC1CCCC1)C(=O)c1coc(CN)c1 ZINC000187567199 384956975 /nfs/dbraw/zinc/95/69/75/384956975.db2.gz PTUCLTYHNRSTCT-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN C[C@@H](O)CCN(C)Cc1ccc(F)cc1F ZINC000084863979 384901328 /nfs/dbraw/zinc/90/13/28/384901328.db2.gz JLIWYYLFZWUYQI-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1nc(CN[C@H]2CC[C@H](F)C2)cs1 ZINC000306392347 384911095 /nfs/dbraw/zinc/91/10/95/384911095.db2.gz GFNVARPENWTWII-IUCAKERBSA-N 0 1 214.309 2.432 20 0 BEADMN CC(C)CC(C)(C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000175456301 384913597 /nfs/dbraw/zinc/91/35/97/384913597.db2.gz LORPLWOXVVAXNW-VIFPVBQESA-N 0 1 238.335 2.054 20 0 BEADMN c1ccc2c(c1)COC[C@@H]2NCc1cccnc1 ZINC000225980469 384916918 /nfs/dbraw/zinc/91/69/18/384916918.db2.gz RYAJEWAQZRPQCI-HNNXBMFYSA-N 0 1 240.306 2.443 20 0 BEADMN CCN(CCO)Cc1cc(Cl)ccc1F ZINC000127966896 384919376 /nfs/dbraw/zinc/91/93/76/384919376.db2.gz NALQLLICYGAWPG-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CS[C@H](C)CNCc1csc(C)n1 ZINC000127936140 384924770 /nfs/dbraw/zinc/92/47/70/384924770.db2.gz BLOPUBHLBDERDF-SSDOTTSWSA-N 0 1 216.375 2.293 20 0 BEADMN C[C@H](NC1CC(C)(C)C1)c1nnc2n1CCC2 ZINC000336156788 384926574 /nfs/dbraw/zinc/92/65/74/384926574.db2.gz BTIOBVHIVPOYKY-VIFPVBQESA-N 0 1 234.347 2.064 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CC12CC2 ZINC000424329375 384941507 /nfs/dbraw/zinc/94/15/07/384941507.db2.gz RNHPCLJDYVVKPP-VHSXEESVSA-N 0 1 205.305 2.106 20 0 BEADMN CCCCN(CC(=O)OCC)C(C)(C)C ZINC000152095022 384942847 /nfs/dbraw/zinc/94/28/47/384942847.db2.gz FXJMLMWSORULLJ-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN COC[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000175710112 384947112 /nfs/dbraw/zinc/94/71/12/384947112.db2.gz MKAZICLIHJGHFI-AWEZNQCLSA-N 0 1 230.311 2.492 20 0 BEADMN CC[C@H]1CCN(Cc2c(Cl)cnn2C)C1 ZINC000187460104 384947983 /nfs/dbraw/zinc/94/79/83/384947983.db2.gz XGYUVLKBAIMQAU-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN CCC(=CC(=O)NCc1cnc(CC)[nH]1)CC ZINC001645212997 1172643123 /nfs/dbraw/zinc/64/31/23/1172643123.db2.gz STQDOCRIDWBANT-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN c1csc(CN2CCN(C3CC3)CC2)c1 ZINC000127951782 384966545 /nfs/dbraw/zinc/96/65/45/384966545.db2.gz BGBDVJHBDGBAFY-UHFFFAOYSA-N 0 1 222.357 2.028 20 0 BEADMN CCC[C@H](CC)Nc1ccncc1C(N)=O ZINC000302215406 384969684 /nfs/dbraw/zinc/96/96/84/384969684.db2.gz IWPMBWBVMNSKEM-VIFPVBQESA-N 0 1 221.304 2.171 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncnn1C ZINC000177349568 384970610 /nfs/dbraw/zinc/97/06/10/384970610.db2.gz NBTYAGJMVCHQLC-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000371308503 384976264 /nfs/dbraw/zinc/97/62/64/384976264.db2.gz OVRHKZUYPOVGQP-LLVKDONJSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000371308503 384976270 /nfs/dbraw/zinc/97/62/70/384976270.db2.gz OVRHKZUYPOVGQP-LLVKDONJSA-N 0 1 225.332 2.060 20 0 BEADMN CCC(CC)c1cc(CNC[C@@H](C)O)on1 ZINC000644576276 384980213 /nfs/dbraw/zinc/98/02/13/384980213.db2.gz GFOOISNCGDLDFZ-SECBINFHSA-N 0 1 226.320 2.049 20 0 BEADMN CCC[C@](C)(O)CN[C@H](C)c1nccs1 ZINC000129205575 384984005 /nfs/dbraw/zinc/98/40/05/384984005.db2.gz NOBUTLBPALKNGL-KOLCDFICSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)c2cnccc2N)C1 ZINC000187794615 384984325 /nfs/dbraw/zinc/98/43/25/384984325.db2.gz RIRCPWRSWYXXLB-CQSZACIVSA-N 0 1 247.342 2.316 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1cnccc1N ZINC000128070371 384989435 /nfs/dbraw/zinc/98/94/35/384989435.db2.gz IBVSGWLSHBBOQF-ZJUUUORDSA-N 0 1 235.331 2.218 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@@H](C)C2)n1 ZINC000187937971 384997691 /nfs/dbraw/zinc/99/76/91/384997691.db2.gz AYFCRSWRIIBTMV-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCCC[C@@H](C)C2)n1 ZINC000187937971 384997695 /nfs/dbraw/zinc/99/76/95/384997695.db2.gz AYFCRSWRIIBTMV-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1csc([C@H](C)NC[C@H](O)C(C)C)n1 ZINC000300844875 384998428 /nfs/dbraw/zinc/99/84/28/384998428.db2.gz FXUICEBUKAVCGQ-UWVGGRQHSA-N 0 1 228.361 2.119 20 0 BEADMN C[N@@H+](CCCO)Cc1ccc(F)c(Cl)c1 ZINC000259171680 384961358 /nfs/dbraw/zinc/96/13/58/384961358.db2.gz YTDPUAIBRZQWCJ-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN Cc1cc(CN2CCN(C3CC3)CC2)ccc1F ZINC000127911085 384963888 /nfs/dbraw/zinc/96/38/88/384963888.db2.gz HYJRBWQWAPYCRO-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](NCC(C)(F)F)[C@@H]1C ZINC000559322227 385052626 /nfs/dbraw/zinc/05/26/26/385052626.db2.gz HHJPVHZHXWIFTP-UTLUCORTSA-N 0 1 249.301 2.209 20 0 BEADMN CC(C)c1csc(CNCC2(O)CCC2)n1 ZINC000564853130 385054434 /nfs/dbraw/zinc/05/44/34/385054434.db2.gz ZFPGFPGPQYNCIW-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN FC(F)CN[C@H]1CCCC12CCOCC2 ZINC000300903783 385055178 /nfs/dbraw/zinc/05/51/78/385055178.db2.gz JFMMMVUSEWRJSJ-VIFPVBQESA-N 0 1 219.275 2.190 20 0 BEADMN FC(F)CN[C@@H]1CCCC12CCOCC2 ZINC000300903781 385056302 /nfs/dbraw/zinc/05/63/02/385056302.db2.gz JFMMMVUSEWRJSJ-SECBINFHSA-N 0 1 219.275 2.190 20 0 BEADMN CS[C@@H](C)CN[C@H](C)c1cc(C)on1 ZINC000279166946 385064409 /nfs/dbraw/zinc/06/44/09/385064409.db2.gz CBOLZCPMOQYXOQ-DTWKUNHWSA-N 0 1 214.334 2.385 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCC(F)F)n1 ZINC000647134154 385066747 /nfs/dbraw/zinc/06/67/47/385066747.db2.gz JAEHEIXMPVLVEE-ZETCQYMHSA-N 0 1 233.262 2.313 20 0 BEADMN CC(C)n1cc(CNCCc2ccccc2)nn1 ZINC000289636844 385068690 /nfs/dbraw/zinc/06/86/90/385068690.db2.gz GSINFXZDHJEJDR-UHFFFAOYSA-N 0 1 244.342 2.191 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000176023077 385074431 /nfs/dbraw/zinc/07/44/31/385074431.db2.gz PHBSJIRHNNXUPA-ATZCPNFKSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1cc(CNc2ccc3c(n2)CCC3)sn1 ZINC000404517358 385025731 /nfs/dbraw/zinc/02/57/31/385025731.db2.gz TXLKAFXRUOXQKL-UHFFFAOYSA-N 0 1 245.351 2.369 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1nccs1 ZINC000647243012 385028216 /nfs/dbraw/zinc/02/82/16/385028216.db2.gz CAVGPWNLMKFKCH-ZJUUUORDSA-N 0 1 228.361 2.030 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC[C@H](SC)C1 ZINC000518386746 385032503 /nfs/dbraw/zinc/03/25/03/385032503.db2.gz OGSDRJKCPORNHS-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN CCc1noc(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000642723409 385035153 /nfs/dbraw/zinc/03/51/53/385035153.db2.gz BFVVAGYWJZXHOG-IVZWLZJFSA-N 0 1 223.320 2.108 20 0 BEADMN CCc1noc(CN2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000642723410 385035209 /nfs/dbraw/zinc/03/52/09/385035209.db2.gz BFVVAGYWJZXHOG-LPEHRKFASA-N 0 1 223.320 2.108 20 0 BEADMN CCc1noc(CN2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000642723408 385036248 /nfs/dbraw/zinc/03/62/48/385036248.db2.gz BFVVAGYWJZXHOG-GUBZILKMSA-N 0 1 223.320 2.108 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1N)[C@@H]1CCSC1 ZINC000156341738 385036823 /nfs/dbraw/zinc/03/68/23/385036823.db2.gz AOXSMLIFQWNBEO-SNVBAGLBSA-N 0 1 240.347 2.345 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000530750011 385039884 /nfs/dbraw/zinc/03/98/84/385039884.db2.gz KPEMLAYBFKBERY-SECBINFHSA-N 0 1 245.282 2.152 20 0 BEADMN Cc1nocc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000336319866 385043364 /nfs/dbraw/zinc/04/33/64/385043364.db2.gz QZZSEMDGHVOJMQ-FZMZJTMJSA-N 0 1 249.358 2.042 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000086726920 385044887 /nfs/dbraw/zinc/04/48/87/385044887.db2.gz UVIYMALDECDEDS-LLVKDONJSA-N 0 1 241.237 2.014 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000086756421 385044932 /nfs/dbraw/zinc/04/49/32/385044932.db2.gz GLANRPJTJYNDDV-VIFPVBQESA-N 0 1 233.267 2.338 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CC(C)(C)CC ZINC000647460314 385045291 /nfs/dbraw/zinc/04/52/91/385045291.db2.gz VUROITWMBPYNCF-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN NC1(c2noc([C@H]3CC34CCC4)n2)CCCC1 ZINC000647137881 385109116 /nfs/dbraw/zinc/10/91/16/385109116.db2.gz BSSCRXCSJSYMOH-SECBINFHSA-N 0 1 233.315 2.455 20 0 BEADMN Cc1nc(CN(C)C(C)(C)c2ccccc2)n[nH]1 ZINC000644691866 385111189 /nfs/dbraw/zinc/11/11/89/385111189.db2.gz ZYZNUJDIPQVBEZ-UHFFFAOYSA-N 0 1 244.342 2.480 20 0 BEADMN CCc1ccccc1CN1CCO[C@@H](COC)C1 ZINC000189035065 385118171 /nfs/dbraw/zinc/11/81/71/385118171.db2.gz SVYKOZUOZMVGRV-OAHLLOKOSA-N 0 1 249.354 2.096 20 0 BEADMN CC[C@H](O)CNc1ccc2cnccc2c1 ZINC000644703176 385121608 /nfs/dbraw/zinc/12/16/08/385121608.db2.gz NQUDQAUNLUXWPX-ZDUSSCGKSA-N 0 1 216.284 2.418 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nnc(C)o1 ZINC000177847630 385127119 /nfs/dbraw/zinc/12/71/19/385127119.db2.gz ZCKZSUFYYOHXMU-SECBINFHSA-N 0 1 211.309 2.246 20 0 BEADMN c1ccc([C@@H]2C[C@H]2CN2CCO[C@H]3C[C@H]32)cc1 ZINC000644717012 385136563 /nfs/dbraw/zinc/13/65/63/385136563.db2.gz WWFBUNJEDAHJDH-XQLPTFJDSA-N 0 1 229.323 2.263 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000246244220 385136598 /nfs/dbraw/zinc/13/65/98/385136598.db2.gz JDHRTRZIDFURKB-MFKMUULPSA-N 0 1 249.285 2.220 20 0 BEADMN Cc1cc(C)cc(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000061781811 385139289 /nfs/dbraw/zinc/13/92/89/385139289.db2.gz GLHFCMAJMOPDHC-CQSZACIVSA-N 0 1 246.354 2.143 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1nc(C)cs1)C1CC1 ZINC000388298762 385140333 /nfs/dbraw/zinc/14/03/33/385140333.db2.gz MQQSZLQMZZYJIJ-SKDRFNHKSA-N 0 1 240.372 2.355 20 0 BEADMN CCc1ccccc1CN1CCO[C@H](C)C1 ZINC000188767902 385088459 /nfs/dbraw/zinc/08/84/59/385088459.db2.gz QYLXRESCXSCBSM-GFCCVEGCSA-N 0 1 219.328 2.470 20 0 BEADMN CC(C)c1nc(CN2CC[C@H](C(F)F)C2)n[nH]1 ZINC000644680081 385092141 /nfs/dbraw/zinc/09/21/41/385092141.db2.gz YFLANIPUBZAQIZ-QMMMGPOBSA-N 0 1 244.289 2.015 20 0 BEADMN c1[nH]nnc1CCSCc1ccccc1 ZINC000559629734 385093706 /nfs/dbraw/zinc/09/37/06/385093706.db2.gz FJDYXCZAVOSRFH-UHFFFAOYSA-N 0 1 219.313 2.281 20 0 BEADMN CC(C)c1nc(CN2CC[C@H](C)[C@H](F)C2)n[nH]1 ZINC000644682192 385096596 /nfs/dbraw/zinc/09/65/96/385096596.db2.gz NQSRMOCSOGMEGD-VHSXEESVSA-N 0 1 240.326 2.108 20 0 BEADMN CSC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000279722127 385188658 /nfs/dbraw/zinc/18/86/58/385188658.db2.gz ZTHHSTXWHMPJDG-VXNVDRBHSA-N 0 1 214.334 2.385 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@@H](C)O)cs1 ZINC000152512296 385188961 /nfs/dbraw/zinc/18/89/61/385188961.db2.gz SYLOAXMCBFCHTC-BXKDBHETSA-N 0 1 240.372 2.187 20 0 BEADMN CSC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000279722123 385189014 /nfs/dbraw/zinc/18/90/14/385189014.db2.gz ZTHHSTXWHMPJDG-APPZFPTMSA-N 0 1 214.334 2.385 20 0 BEADMN Cc1cc(CN(C)Cc2nnc[nH]2)c(C)s1 ZINC000177132672 385189131 /nfs/dbraw/zinc/18/91/31/385189131.db2.gz OFLQWNKIKLUPDE-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN C[C@@H](CNCc1ccccn1)C(F)(F)F ZINC000308826516 385194916 /nfs/dbraw/zinc/19/49/16/385194916.db2.gz DUSFVNMRRCMMLK-QMMMGPOBSA-N 0 1 218.222 2.370 20 0 BEADMN C[C@@H](NC1CCSCC1)c1ccon1 ZINC000306794102 385195356 /nfs/dbraw/zinc/19/53/56/385195356.db2.gz HNAANVWKENQNIF-MRVPVSSYSA-N 0 1 212.318 2.221 20 0 BEADMN C[C@@H](N[C@H](CO)c1ccccc1)c1cccnc1 ZINC000062999344 385198356 /nfs/dbraw/zinc/19/83/56/385198356.db2.gz JBEOZLUMOKJWDF-IUODEOHRSA-N 0 1 242.322 2.466 20 0 BEADMN COC[C@@H]1CN(Cc2ccccc2C)C[C@H](C)O1 ZINC000189389021 385151846 /nfs/dbraw/zinc/15/18/46/385151846.db2.gz VQJGXCCLTFFUGU-ZFWWWQNUSA-N 0 1 249.354 2.231 20 0 BEADMN CC[C@H](N[C@H]1CC12CC2)c1ccn(C)n1 ZINC000424315788 385157222 /nfs/dbraw/zinc/15/72/22/385157222.db2.gz DTWQRDNKUMEKLI-ONGXEEELSA-N 0 1 205.305 2.013 20 0 BEADMN CCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176895755 385157248 /nfs/dbraw/zinc/15/72/48/385157248.db2.gz YRTIRADCIFRHOW-UHFFFAOYSA-N 0 1 235.331 2.272 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)CC2CCC2)c1 ZINC000176925546 385158055 /nfs/dbraw/zinc/15/80/55/385158055.db2.gz RTWONCCQOZYYMA-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN CC[C@@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176922868 385158793 /nfs/dbraw/zinc/15/87/93/385158793.db2.gz VRRLULGINBVSII-SNVBAGLBSA-N 0 1 235.331 2.128 20 0 BEADMN Cc1cc(CN2CCCC[C@@H]2C[C@@H](C)O)no1 ZINC000123752528 385159929 /nfs/dbraw/zinc/15/99/29/385159929.db2.gz RSDYXZGTBYLYFQ-ZWNOBZJWSA-N 0 1 238.331 2.108 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CC23CC3)c(F)cn1 ZINC000424318777 385161141 /nfs/dbraw/zinc/16/11/41/385161141.db2.gz HQJGHWQNIFYDKP-KWQFWETISA-N 0 1 236.290 2.432 20 0 BEADMN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCCOC1 ZINC000424319521 385161168 /nfs/dbraw/zinc/16/11/68/385161168.db2.gz IKFCQVLZIBEPFX-IHRRRGAJSA-N 0 1 235.302 2.392 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCCCO2)c1 ZINC000043561694 385168631 /nfs/dbraw/zinc/16/86/31/385168631.db2.gz JHRATPOZIQMTCH-NSHDSACASA-N 0 1 206.289 2.371 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCCOC2)c1 ZINC000043561546 385168851 /nfs/dbraw/zinc/16/88/51/385168851.db2.gz BFMFCRVQAHHVEO-NSHDSACASA-N 0 1 206.289 2.229 20 0 BEADMN Cc1c(CN2CCC(F)(F)[C@H](C)C2)cnn1C ZINC000289762756 385211206 /nfs/dbraw/zinc/21/12/06/385211206.db2.gz KVBPVCLHFUVKKE-SECBINFHSA-N 0 1 243.301 2.206 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230360963 385216023 /nfs/dbraw/zinc/21/60/23/385216023.db2.gz FLCKSTOLCAHSEV-GHMZBOCLSA-N 0 1 209.289 2.034 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]2CC)nc1 ZINC000644786313 385216083 /nfs/dbraw/zinc/21/60/83/385216083.db2.gz YJLGIGCSKYLFMX-LBPRGKRZSA-N 0 1 220.316 2.465 20 0 BEADMN Cc1cc(CNC[C@@H]2CCC(C)(C)O2)on1 ZINC000166095041 385222843 /nfs/dbraw/zinc/22/28/43/385222843.db2.gz XHMCOVJLDSQLFR-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000164650558 385224936 /nfs/dbraw/zinc/22/49/36/385224936.db2.gz AOAZXKCRKKXIBZ-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000153008321 385229451 /nfs/dbraw/zinc/22/94/51/385229451.db2.gz ZKJPTHGWBAIOHJ-QWRGUYRKSA-N 0 1 206.289 2.215 20 0 BEADMN CCCN(CCC)CC(=O)OC(C)(C)C ZINC000153041867 385231202 /nfs/dbraw/zinc/23/12/02/385231202.db2.gz WWBZNDCJUVJNHT-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CC[C@H](NCc1coc2ccccc12)C(=O)NC ZINC000449783122 385233147 /nfs/dbraw/zinc/23/31/47/385233147.db2.gz ZQDVJIPOMGHHLF-LBPRGKRZSA-N 0 1 246.310 2.047 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nccs1 ZINC000301021051 385239590 /nfs/dbraw/zinc/23/95/90/385239590.db2.gz PZEYWTRNRYPCLM-QMMMGPOBSA-N 0 1 214.334 2.046 20 0 BEADMN FC1(F)CCC(NCc2csnn2)CC1 ZINC000308890120 385245053 /nfs/dbraw/zinc/24/50/53/385245053.db2.gz WDMTWRFAKUJMGK-UHFFFAOYSA-N 0 1 233.287 2.206 20 0 BEADMN FC1(F)CC[C@@H](CNCc2csnn2)C1 ZINC000308891860 385245322 /nfs/dbraw/zinc/24/53/22/385245322.db2.gz XGEHWUQIAKIZQP-SSDOTTSWSA-N 0 1 233.287 2.063 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](C2CC2)C1 ZINC000344032115 385249205 /nfs/dbraw/zinc/24/92/05/385249205.db2.gz OIAFAHLACODTHR-PWSUYJOCSA-N 0 1 239.359 2.449 20 0 BEADMN Cc1nc(CN2CCC[C@H](O)CC2)c(C)s1 ZINC000336375609 385204665 /nfs/dbraw/zinc/20/46/65/385204665.db2.gz VOAGGCDMNSVADM-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN COC(=O)c1occc1CN1CC[C@@H](C)[C@H]1C ZINC000177900158 385303853 /nfs/dbraw/zinc/30/38/53/385303853.db2.gz YYQALRHNTGPGFZ-NXEZZACHSA-N 0 1 237.299 2.297 20 0 BEADMN Cn1nncc1CN[C@H]1CCCc2sccc21 ZINC000157909305 385304361 /nfs/dbraw/zinc/30/43/61/385304361.db2.gz FINDGQSYLLSTPK-NSHDSACASA-N 0 1 248.355 2.044 20 0 BEADMN CC[C@H](O)CCCNc1cccc(C)n1 ZINC000308948271 385309547 /nfs/dbraw/zinc/30/95/47/385309547.db2.gz OKPUNSLDBSUADG-NSHDSACASA-N 0 1 208.305 2.353 20 0 BEADMN C[C@]1(O)CCN(Cc2nc3ccccc3s2)C1 ZINC000178001066 385317873 /nfs/dbraw/zinc/31/78/73/385317873.db2.gz OHLOWHVPTOQIJZ-ZDUSSCGKSA-N 0 1 248.351 2.253 20 0 BEADMN CC(C)(C)N(C/C=C/c1ccccc1)CC(N)=O ZINC000131258769 385321776 /nfs/dbraw/zinc/32/17/76/385321776.db2.gz XTOSOEZLCNRSCN-JXMROGBWSA-N 0 1 246.354 2.286 20 0 BEADMN CC(C)CSCCCN(C)Cc1nnc[nH]1 ZINC000178734039 385321787 /nfs/dbraw/zinc/32/17/87/385321787.db2.gz PZWSEVSLXYJTNW-UHFFFAOYSA-N 0 1 242.392 2.016 20 0 BEADMN NC1(c2noc(/C=C\c3ccco3)n2)CCC1 ZINC000647140424 385261618 /nfs/dbraw/zinc/26/16/18/385261618.db2.gz HHWBVQFVWVIWNG-PLNGDYQASA-N 0 1 231.255 2.171 20 0 BEADMN CC[C@]1(C)CCN(CC(=O)OC(C)(C)C)C1 ZINC000344285294 385269700 /nfs/dbraw/zinc/26/97/00/385269700.db2.gz YRCWRZZTXJCRBW-CYBMUJFWSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000177669363 385271495 /nfs/dbraw/zinc/27/14/95/385271495.db2.gz KDZIMEWUHYWBAL-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)[nH]1 ZINC000647140679 385272533 /nfs/dbraw/zinc/27/25/33/385272533.db2.gz HAEUBVVNJZKADL-UHFFFAOYSA-N 0 1 232.287 2.019 20 0 BEADMN COC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccco1 ZINC000191088715 385283128 /nfs/dbraw/zinc/28/31/28/385283128.db2.gz FQUCQISCFDIOIC-SRVKXCTJSA-N 0 1 239.315 2.124 20 0 BEADMN CN(CCC1CC1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000153950134 385294998 /nfs/dbraw/zinc/29/49/98/385294998.db2.gz LALGHHUJQUGFLC-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN COC[C@@H](NCC[C@@H](C)F)c1ccco1 ZINC000308939914 385297693 /nfs/dbraw/zinc/29/76/93/385297693.db2.gz LWKKXCNVQSIEOO-NXEZZACHSA-N 0 1 215.268 2.305 20 0 BEADMN Cc1nc(CNCCc2ncccc2C)cs1 ZINC000294962476 385336872 /nfs/dbraw/zinc/33/68/72/385336872.db2.gz IJRPDGSTSIXADV-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN Cc1csc([C@H](N[C@@H]2CCOC2)C2CC2)n1 ZINC000168314546 385350935 /nfs/dbraw/zinc/35/09/35/385350935.db2.gz FTHOBLNDRCHFNB-GHMZBOCLSA-N 0 1 238.356 2.281 20 0 BEADMN Cc1csc([C@@H](N[C@@H]2CCOC2)C2CC2)n1 ZINC000168314641 385350954 /nfs/dbraw/zinc/35/09/54/385350954.db2.gz FTHOBLNDRCHFNB-MNOVXSKESA-N 0 1 238.356 2.281 20 0 BEADMN CC/C=C/CNCc1cc(C(=O)OC)c(C)o1 ZINC000294983277 385355382 /nfs/dbraw/zinc/35/53/82/385355382.db2.gz JYMCFHWJTDYMFW-AATRIKPKSA-N 0 1 237.299 2.430 20 0 BEADMN CCCN(C)Cc1nc2ccccc2n1C ZINC000155023169 385369618 /nfs/dbraw/zinc/36/96/18/385369618.db2.gz SLAQFYCXCFMHBZ-UHFFFAOYSA-N 0 1 217.316 2.415 20 0 BEADMN c1cc(CN2CC[C@@H](Cc3ccccc3)C2)n[nH]1 ZINC000155104357 385374960 /nfs/dbraw/zinc/37/49/60/385374960.db2.gz RQFDWRSARZGMFU-AWEZNQCLSA-N 0 1 241.338 2.474 20 0 BEADMN CCN[C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179818397 385381682 /nfs/dbraw/zinc/38/16/82/385381682.db2.gz CIEVKNHVZCHNPS-SECBINFHSA-N 0 1 209.293 2.254 20 0 BEADMN Cc1ccc(NC(=O)CN2CCC[C@H]2C)cc1 ZINC000154454235 385326944 /nfs/dbraw/zinc/32/69/44/385326944.db2.gz GBPFLJSAEBDEDC-GFCCVEGCSA-N 0 1 232.327 2.418 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000193329454 385392244 /nfs/dbraw/zinc/39/22/44/385392244.db2.gz QOOTWIFGZBGBHM-NWDGAFQWSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@](C)(OC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000170229754 385425602 /nfs/dbraw/zinc/42/56/02/385425602.db2.gz BHHNEBBUTDVPCC-ZDUSSCGKSA-N 0 1 247.298 2.317 20 0 BEADMN COCc1nc(CNCC(C)(C)C)cs1 ZINC000309075188 385405054 /nfs/dbraw/zinc/40/50/54/385405054.db2.gz JIOUAQMZOZMCLU-UHFFFAOYSA-N 0 1 228.361 2.425 20 0 BEADMN CC/C=C(/C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000155801709 385412816 /nfs/dbraw/zinc/41/28/16/385412816.db2.gz GNXHDEOTCZLUAZ-ABRRARGCSA-N 0 1 235.331 2.122 20 0 BEADMN CN(CCC1CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000178707310 385413391 /nfs/dbraw/zinc/41/33/91/385413391.db2.gz OOBVLZGTOORONW-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN C[N@@H+](CCCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000178912173 385426204 /nfs/dbraw/zinc/42/62/04/385426204.db2.gz HTZOINAUEYPCSY-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(F)F ZINC000307752649 385422895 /nfs/dbraw/zinc/42/28/95/385422895.db2.gz SGISZRNQTFUWIV-KZVJFYERSA-N 0 1 207.264 2.186 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000054067616 385441342 /nfs/dbraw/zinc/44/13/42/385441342.db2.gz HAHLRPCGXFIARD-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN CN(C)CC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000170755216 385444491 /nfs/dbraw/zinc/44/44/91/385444491.db2.gz FNUOFGLYDQWSAU-AWEZNQCLSA-N 0 1 248.370 2.452 20 0 BEADMN CCSCCCNCc1cn(C(C)C)nn1 ZINC000309173887 385450418 /nfs/dbraw/zinc/45/04/18/385450418.db2.gz BKQFIHREZUNBMS-UHFFFAOYSA-N 0 1 242.392 2.092 20 0 BEADMN COC(=O)c1occc1CN1CCCC1(C)C ZINC000170872736 385453631 /nfs/dbraw/zinc/45/36/31/385453631.db2.gz SSVDMBFUPJAWKU-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CC[C@@H](COC)N[C@@H](COC)c1ccc(C)o1 ZINC000156512201 385457307 /nfs/dbraw/zinc/45/73/07/385457307.db2.gz GAAGWDCFXZCFJN-RYUDHWBXSA-N 0 1 241.331 2.290 20 0 BEADMN CCO[C@@H](CNCc1ncc[nH]1)c1ccccc1 ZINC000194460249 385434738 /nfs/dbraw/zinc/43/47/38/385434738.db2.gz ZINXRHOJANXMAU-ZDUSSCGKSA-N 0 1 245.326 2.277 20 0 BEADMN CCc1cc(CN[C@@H](C)C(C)(C)OC)on1 ZINC000378684358 385468126 /nfs/dbraw/zinc/46/81/26/385468126.db2.gz AEGAVIMOZRYNMH-VIFPVBQESA-N 0 1 226.320 2.140 20 0 BEADMN C[C@H]1c2cccn2CCN1CCCCCO ZINC000171143522 385470106 /nfs/dbraw/zinc/47/01/06/385470106.db2.gz PMFKMGXLVAIPJH-LBPRGKRZSA-N 0 1 222.332 2.027 20 0 BEADMN CC[C@H](F)CN[C@@H](CO)c1sccc1C ZINC000336770237 385471264 /nfs/dbraw/zinc/47/12/64/385471264.db2.gz VLFJBNQAQIHHNS-UWVGGRQHSA-N 0 1 231.336 2.428 20 0 BEADMN CSc1ccc(CN2CCC(O)CC2)s1 ZINC000336163072 385471555 /nfs/dbraw/zinc/47/15/55/385471555.db2.gz ADLOKPBEELFTMP-UHFFFAOYSA-N 0 1 243.397 2.427 20 0 BEADMN CCc1ccc([C@H](C)NCC2(C)OCCO2)o1 ZINC000179573269 385474447 /nfs/dbraw/zinc/47/44/47/385474447.db2.gz QUPIHMCHUZRZAU-JTQLQIEISA-N 0 1 239.315 2.256 20 0 BEADMN Cc1cc(C)c(CN(CC(N)=O)C(C)C)cc1C ZINC000179656442 385479844 /nfs/dbraw/zinc/47/98/44/385479844.db2.gz WVAURRDEKDXMBI-UHFFFAOYSA-N 0 1 248.370 2.308 20 0 BEADMN COCCN(Cc1cncs1)C[C@@H]1C[C@@H]1C ZINC000448363356 385460768 /nfs/dbraw/zinc/46/07/68/385460768.db2.gz QVOJTYLIJZJQOW-QWRGUYRKSA-N 0 1 240.372 2.248 20 0 BEADMN CN(CC1CCC1)C(=O)c1cccc2c[nH]nc21 ZINC000111069524 385500014 /nfs/dbraw/zinc/50/00/14/385500014.db2.gz HAJMCSPKPASRNT-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CSCCCN(C)Cc1c(C)noc1C ZINC000157641653 385512409 /nfs/dbraw/zinc/51/24/09/385512409.db2.gz JHYWQYLLQZEYHZ-UHFFFAOYSA-N 0 1 228.361 2.476 20 0 BEADMN Cc1ccc(OCC[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000179770811 385489476 /nfs/dbraw/zinc/48/94/76/385489476.db2.gz FNEDTHAQDLOKPO-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN Cc1ccc(OCCN(C)Cc2cnc[nH]2)cc1 ZINC000179770811 385489480 /nfs/dbraw/zinc/48/94/80/385489480.db2.gz FNEDTHAQDLOKPO-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN CN(Cc1ncc[nH]1)CC1CCCCC1 ZINC000171915267 385532019 /nfs/dbraw/zinc/53/20/19/385532019.db2.gz FVNAPKSENFAWCE-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CC(C)C[C@@H](C)CN[C@@H](C)c1ncn(C)n1 ZINC000309353269 385549297 /nfs/dbraw/zinc/54/92/97/385549297.db2.gz NIIMPYNMZJTLHZ-MNOVXSKESA-N 0 1 224.352 2.148 20 0 BEADMN c1cn(CCCSc2n[nH]c(C3CC3)n2)cn1 ZINC000180434603 385522772 /nfs/dbraw/zinc/52/27/72/385522772.db2.gz DDESKPKQZPOHNV-UHFFFAOYSA-N 0 1 249.343 2.061 20 0 BEADMN CC(C)n1ncnc1CN1CCC[C@H]1C1CC1 ZINC000364833518 385524379 /nfs/dbraw/zinc/52/43/79/385524379.db2.gz JRXXDQTXUYPUDB-LBPRGKRZSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CSC[C@H]1C ZINC000309304600 385527910 /nfs/dbraw/zinc/52/79/10/385527910.db2.gz AJUZQRQVFUUGRH-GHMZBOCLSA-N 0 1 239.388 2.305 20 0 BEADMN Cc1nc(CN[C@](C)(CO)C(C)C)c(C)s1 ZINC000309421898 385576024 /nfs/dbraw/zinc/57/60/24/385576024.db2.gz ZWAIKHITWUAGJO-GFCCVEGCSA-N 0 1 242.388 2.257 20 0 BEADMN CCN(CC(=O)OC)CC1CCC(C)CC1 ZINC000309407810 385576135 /nfs/dbraw/zinc/57/61/35/385576135.db2.gz FOBBDDFPOXXXKR-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H](CC(=O)NCCN1CCC1)c1ccccc1 ZINC000337311453 385600464 /nfs/dbraw/zinc/60/04/64/385600464.db2.gz CMQSXOGFECNTPJ-ZDUSSCGKSA-N 0 1 246.354 2.002 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@@H]1NCc1cocn1 ZINC000337311918 385600474 /nfs/dbraw/zinc/60/04/74/385600474.db2.gz VMSHAMHZLBUWTK-VHSXEESVSA-N 0 1 246.257 2.315 20 0 BEADMN CC[C@H](NCCC(F)(F)F)c1ccn(C)n1 ZINC000336677123 385603866 /nfs/dbraw/zinc/60/38/66/385603866.db2.gz CAYIYLVAKISPFU-QMMMGPOBSA-N 0 1 235.253 2.413 20 0 BEADMN Cc1noc(CN2CCCC[C@H]2C(C)C)n1 ZINC000117348924 385578241 /nfs/dbraw/zinc/57/82/41/385578241.db2.gz BDZGFYJCCDTTJE-NSHDSACASA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](CC3CC3)C2)[nH]1 ZINC000411768743 385605804 /nfs/dbraw/zinc/60/58/04/385605804.db2.gz GEYYDQZICILAJA-JOYOIKCWSA-N 0 1 234.347 2.296 20 0 BEADMN COC(=O)c1ccc(F)c(CN2CCCC2)c1 ZINC000181873837 385613774 /nfs/dbraw/zinc/61/37/74/385613774.db2.gz PHOLEQZNLXIJRB-UHFFFAOYSA-N 0 1 237.274 2.208 20 0 BEADMN CC(C)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869469 385625804 /nfs/dbraw/zinc/62/58/04/385625804.db2.gz YBMZKDDXVCWOSP-UHFFFAOYSA-N 0 1 239.750 2.265 20 0 BEADMN CC[N@@H+](CC(=O)Nc1ccc(C)c(O)c1)C1CC1 ZINC000269726557 385629602 /nfs/dbraw/zinc/62/96/02/385629602.db2.gz ZATKAKRPBOQJOX-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCN(CC(=O)Nc1ccc(C)c(O)c1)C1CC1 ZINC000269726557 385629606 /nfs/dbraw/zinc/62/96/06/385629606.db2.gz ZATKAKRPBOQJOX-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN c1cnc(CNCC2CCCCC2)nc1 ZINC000054459150 385629690 /nfs/dbraw/zinc/62/96/90/385629690.db2.gz ZBUDRYBSLOZXDC-UHFFFAOYSA-N 0 1 205.305 2.147 20 0 BEADMN CC(C)[C@@H]1CCCC[N@H+]1Cc1nccc(N)n1 ZINC000269712034 385630074 /nfs/dbraw/zinc/63/00/74/385630074.db2.gz PZJCNDUIPAADDR-NSHDSACASA-N 0 1 234.347 2.069 20 0 BEADMN CC(C)[C@@H]1CCCCN1Cc1nccc(N)n1 ZINC000269712034 385630079 /nfs/dbraw/zinc/63/00/79/385630079.db2.gz PZJCNDUIPAADDR-NSHDSACASA-N 0 1 234.347 2.069 20 0 BEADMN CC[C@](C)(CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293536582 385630960 /nfs/dbraw/zinc/63/09/60/385630960.db2.gz JVUFHLLGGRQLEG-GFCCVEGCSA-N 0 1 243.734 2.296 20 0 BEADMN Cn1cc(CNCCF)c(-c2cccs2)n1 ZINC000309481392 385607408 /nfs/dbraw/zinc/60/74/08/385607408.db2.gz DUFWMOWLXIYPMH-UHFFFAOYSA-N 0 1 239.319 2.208 20 0 BEADMN Cc1ccncc1CN(C)C[C@H]1CCCO1 ZINC000269593300 385612105 /nfs/dbraw/zinc/61/21/05/385612105.db2.gz TTYMAQYLGSERJE-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(C)CCCN1CC(=O)NCC1(C)C ZINC000337408228 385650952 /nfs/dbraw/zinc/65/09/52/385650952.db2.gz MNZVXRWXEMAIOH-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCn1nccc1CCN1CCC[C@@](C)(F)C1 ZINC000451116369 385654275 /nfs/dbraw/zinc/65/42/75/385654275.db2.gz RQELRAUMSGTMSE-CYBMUJFWSA-N 0 1 239.338 2.270 20 0 BEADMN Cc1noc(CCCN2CCC[C@](C)(F)C2)n1 ZINC000451118153 385657469 /nfs/dbraw/zinc/65/74/69/385657469.db2.gz XIBONYUXNYNILN-LBPRGKRZSA-N 0 1 241.310 2.135 20 0 BEADMN CO[C@H](C)CN1CCc2ccc(F)cc2C1 ZINC000182351949 385659391 /nfs/dbraw/zinc/65/93/91/385659391.db2.gz OTPBRSFKSJRBKV-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CC[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCCO1 ZINC000281369383 385663120 /nfs/dbraw/zinc/66/31/20/385663120.db2.gz LOXLPOBLDBVCQC-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN Cc1ncc(C(=O)N(CC(C)C)C(C)C)[nH]1 ZINC000270058247 385663530 /nfs/dbraw/zinc/66/35/30/385663530.db2.gz GZLLUNMLCLCSOG-UHFFFAOYSA-N 0 1 223.320 2.225 20 0 BEADMN C[C@H](N[C@@H]1CCCCC[C@H]1O)c1cscn1 ZINC000252950979 385663572 /nfs/dbraw/zinc/66/35/72/385663572.db2.gz OXUOTPWGLSVWIO-HOSYDEDBSA-N 0 1 240.372 2.487 20 0 BEADMN Cc1ncc(C(=O)N2[C@H](C)CCC[C@H]2C)[nH]1 ZINC000270124726 385672483 /nfs/dbraw/zinc/67/24/83/385672483.db2.gz RPULLXOWDKAQCR-RKDXNWHRSA-N 0 1 221.304 2.121 20 0 BEADMN COC[C@H](C)N[C@H]1COc2c1cccc2Cl ZINC000309545509 385678247 /nfs/dbraw/zinc/67/82/47/385678247.db2.gz GVDNIJHAJYKROH-KWQFWETISA-N 0 1 241.718 2.398 20 0 BEADMN COC(=O)CC1(CN(C)Cc2ccco2)CC1 ZINC000281535443 385679260 /nfs/dbraw/zinc/67/92/60/385679260.db2.gz WPHPXWJKDLWTBU-UHFFFAOYSA-N 0 1 237.299 2.055 20 0 BEADMN C[C@@H](C(=O)NO[C@H]1CCCCO1)c1ccccc1 ZINC000182531097 385679106 /nfs/dbraw/zinc/67/91/06/385679106.db2.gz CVTUZHXDDNGGHN-YPMHNXCESA-N 0 1 249.310 2.365 20 0 BEADMN C[C@H](N[C@H]1CC12CCCC2)c1nccn1C ZINC000309551565 385683435 /nfs/dbraw/zinc/68/34/35/385683435.db2.gz IJHBZRJYXHDVFP-QWRGUYRKSA-N 0 1 219.332 2.403 20 0 BEADMN C[C@H](N[C@@H]1CC12CCCC2)c1nccn1C ZINC000309551566 385683955 /nfs/dbraw/zinc/68/39/55/385683955.db2.gz IJHBZRJYXHDVFP-WDEREUQCSA-N 0 1 219.332 2.403 20 0 BEADMN Cn1cc(CN[C@H](c2cccnc2)C2CC2)cn1 ZINC000340104056 385686839 /nfs/dbraw/zinc/68/68/39/385686839.db2.gz IMYJEQCHHFGWDJ-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN C[C@H](N[C@H]1CCCC[C@H]1C)c1ncn(C)n1 ZINC000336734793 385688558 /nfs/dbraw/zinc/68/85/58/385688558.db2.gz HQVHDEYUJJJTKV-VWYCJHECSA-N 0 1 222.336 2.044 20 0 BEADMN CCC[C@@H](C)[C@H](CC)NCC(F)(F)CO ZINC000184696917 385693779 /nfs/dbraw/zinc/69/37/79/385693779.db2.gz PRIDEFWKBRFYNN-ZJUUUORDSA-N 0 1 223.307 2.418 20 0 BEADMN CC(C)(C)C1=CCN(C(=O)c2ccn[nH]2)CC1 ZINC000270366313 385701541 /nfs/dbraw/zinc/70/15/41/385701541.db2.gz ANVBJDAKZIVXLK-UHFFFAOYSA-N 0 1 233.315 2.228 20 0 BEADMN C[C@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000281869072 385708880 /nfs/dbraw/zinc/70/88/80/385708880.db2.gz CACKNMFRLHVSOT-JOYOIKCWSA-N 0 1 225.719 2.468 20 0 BEADMN COC[C@H](NCCCF)c1ccc(C)o1 ZINC000184751586 385710521 /nfs/dbraw/zinc/71/05/21/385710521.db2.gz VNBLWJWWUHAVNQ-JTQLQIEISA-N 0 1 215.268 2.225 20 0 BEADMN COC[C@@H](NCCCF)c1ccc(C)o1 ZINC000184751565 385710960 /nfs/dbraw/zinc/71/09/60/385710960.db2.gz VNBLWJWWUHAVNQ-SNVBAGLBSA-N 0 1 215.268 2.225 20 0 BEADMN Cc1cc(CN(C)CCc2ccccn2)on1 ZINC000270522372 385714389 /nfs/dbraw/zinc/71/43/89/385714389.db2.gz AMJJJBWMOWECOJ-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N(C)CCC1CC1 ZINC000309584303 385716339 /nfs/dbraw/zinc/71/63/39/385716339.db2.gz USMWZEQWTAGLJY-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](NCc1cc(C)ncn1)c1ccncc1 ZINC000647911916 385667084 /nfs/dbraw/zinc/66/70/84/385667084.db2.gz OQRFXEZYLZOKFG-AWEZNQCLSA-N 0 1 242.326 2.421 20 0 BEADMN Cc1ncc(C(=O)N2[C@@H](C)CCC[C@@H]2C)[nH]1 ZINC000270124723 385671548 /nfs/dbraw/zinc/67/15/48/385671548.db2.gz RPULLXOWDKAQCR-IUCAKERBSA-N 0 1 221.304 2.121 20 0 BEADMN CCC[C@H]1SCCN1C(=O)c1cnc(C)[nH]1 ZINC000270129649 385671698 /nfs/dbraw/zinc/67/16/98/385671698.db2.gz SMFNHYMCEKOKGR-SNVBAGLBSA-N 0 1 239.344 2.033 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2ccn(C)c2)n[nH]1 ZINC000270694598 385731006 /nfs/dbraw/zinc/73/10/06/385731006.db2.gz WQSPFSBUOBQHEG-SNVBAGLBSA-N 0 1 247.346 2.117 20 0 BEADMN C[C@H](CCc1ccc(O)cc1)NCc1cocn1 ZINC000185525131 385732010 /nfs/dbraw/zinc/73/20/10/385732010.db2.gz ILEHYJSJWZKBCR-LLVKDONJSA-N 0 1 246.310 2.491 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000270713966 385732624 /nfs/dbraw/zinc/73/26/24/385732624.db2.gz MGGODVJHYJYKHH-VIFPVBQESA-N 0 1 233.319 2.107 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2cccn2C)n[nH]1 ZINC000270716532 385732928 /nfs/dbraw/zinc/73/29/28/385732928.db2.gz MWESAQQSMOIKJP-JTQLQIEISA-N 0 1 247.346 2.117 20 0 BEADMN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccsc1 ZINC000309602543 385737255 /nfs/dbraw/zinc/73/72/55/385737255.db2.gz XZDBHNLYBRFFIC-KOLCDFICSA-N 0 1 238.356 2.020 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2ccn(C)n2)CS1 ZINC000336693215 385737455 /nfs/dbraw/zinc/73/74/55/385737455.db2.gz XRPDFBRRRCCXGO-VXGBXAGGSA-N 0 1 239.388 2.040 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)C(C)(C)C)n[nH]1 ZINC000270741897 385738348 /nfs/dbraw/zinc/73/83/48/385738348.db2.gz AHKPLVFDCYDBCD-MRVPVSSYSA-N 0 1 238.335 2.151 20 0 BEADMN C[N@@H+](CC1CCC1)C1(C(=O)[O-])CCCC1 ZINC000061487113 385739421 /nfs/dbraw/zinc/73/94/21/385739421.db2.gz RKVLQZKUWDUEPI-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H](c1ccccc1)N1CC(=O)N(C)[C@H](C)C1 ZINC000282206534 385741375 /nfs/dbraw/zinc/74/13/75/385741375.db2.gz OFEGVTUBLVMHHX-TZMCWYRMSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270800427 385746861 /nfs/dbraw/zinc/74/68/61/385746861.db2.gz WJJPQHJTMLNGJJ-RKDXNWHRSA-N 0 1 238.335 2.151 20 0 BEADMN CC(C)c1nc([C@@H](C)NC[C@H](C)O)cs1 ZINC000186193236 385753047 /nfs/dbraw/zinc/75/30/47/385753047.db2.gz OEHXHULLXBLPEQ-DTWKUNHWSA-N 0 1 228.361 2.298 20 0 BEADMN CCCc1noc(CN[C@H]2CCC[C@@H]2C)n1 ZINC000309627994 385757098 /nfs/dbraw/zinc/75/70/98/385757098.db2.gz HAZOAWVPGGKBFT-UWVGGRQHSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1cnc(CN[C@H]2CCCC2(C)C)nc1 ZINC000309627722 385757106 /nfs/dbraw/zinc/75/71/06/385757106.db2.gz GFOGKGKWCKGZPR-NSHDSACASA-N 0 1 219.332 2.453 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@@H](C)CO)cs1 ZINC000186363416 385757274 /nfs/dbraw/zinc/75/72/74/385757274.db2.gz BHQOUIRFQGPKSI-IUCAKERBSA-N 0 1 228.361 2.298 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000062133228 385761887 /nfs/dbraw/zinc/76/18/87/385761887.db2.gz YBTHDUQXJATMIP-CYBMUJFWSA-N 0 1 233.311 2.210 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1cnccc1N(C)C ZINC000183452756 385763407 /nfs/dbraw/zinc/76/34/07/385763407.db2.gz QIYZNTDIGQKMHU-MNOVXSKESA-N 0 1 249.358 2.312 20 0 BEADMN CCN(CC)Cc1c(C)nc2sc(C)nn12 ZINC000271006515 385770828 /nfs/dbraw/zinc/77/08/28/385770828.db2.gz NQBVTRHLSWPNMO-UHFFFAOYSA-N 0 1 238.360 2.249 20 0 BEADMN CC(C)Cn1cc(CNC(C)(C)CF)cn1 ZINC000309664926 385777373 /nfs/dbraw/zinc/77/73/73/385777373.db2.gz HIRWNPWSMRXAJS-UHFFFAOYSA-N 0 1 227.327 2.377 20 0 BEADMN CN(CCc1ccccc1)Cc1ccn(C)n1 ZINC000271050220 385779349 /nfs/dbraw/zinc/77/93/49/385779349.db2.gz VFIZXZDCJADEAU-UHFFFAOYSA-N 0 1 229.327 2.095 20 0 BEADMN CN(CCCO)Cc1cc(-c2ccccc2)no1 ZINC000281969703 385719664 /nfs/dbraw/zinc/71/96/64/385719664.db2.gz VOGMYRQKVMMKNZ-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN C[C@@H](CCc1cccc(F)c1)N1CCOCC1 ZINC000182916893 385720823 /nfs/dbraw/zinc/72/08/23/385720823.db2.gz BAHHOUATTUDYGM-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN CN(C)c1ccncc1C(=O)NCC1(C)CCC1 ZINC000183858216 385801394 /nfs/dbraw/zinc/80/13/94/385801394.db2.gz JUTPIQJYUGXXSI-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN Cc1cncc(CN[C@H](CO)c2ccccc2)c1 ZINC000183920789 385802895 /nfs/dbraw/zinc/80/28/95/385802895.db2.gz YOFNJWCESDRQDQ-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1ccoc1CN(C)CCOC(C)C ZINC000271192622 385802729 /nfs/dbraw/zinc/80/27/29/385802729.db2.gz QQZXLJTWWCMHMZ-UHFFFAOYSA-N 0 1 211.305 2.445 20 0 BEADMN CCc1ccc(CNCCOCC(F)F)o1 ZINC000231677576 385812834 /nfs/dbraw/zinc/81/28/34/385812834.db2.gz RTJUUOJKBJPQAC-UHFFFAOYSA-N 0 1 233.258 2.213 20 0 BEADMN Cc1nc(CCN2CCSC[C@@H]2C)cs1 ZINC000271304060 385814951 /nfs/dbraw/zinc/81/49/51/385814951.db2.gz POFDIRANZFBONC-VIFPVBQESA-N 0 1 242.413 2.431 20 0 BEADMN COc1nccnc1CNCCC1=CCCC1 ZINC000294234596 385825786 /nfs/dbraw/zinc/82/57/86/385825786.db2.gz ONOKMGKSKIXFOC-UHFFFAOYSA-N 0 1 233.315 2.075 20 0 BEADMN c1coc(CNC[C@H]2COC3(CCCC3)O2)c1 ZINC000271450698 385830162 /nfs/dbraw/zinc/83/01/62/385830162.db2.gz RUMPWBZZXZEANW-LBPRGKRZSA-N 0 1 237.299 2.055 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@H]1CC12CC2 ZINC000643369987 385830804 /nfs/dbraw/zinc/83/08/04/385830804.db2.gz UYJJVVIRPZMHPW-RXMQYKEDSA-N 0 1 245.204 2.167 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cnccc1C ZINC000271480602 385833053 /nfs/dbraw/zinc/83/30/53/385833053.db2.gz LTIXYHDVDOSQDM-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN O=C([O-])C1([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000283794330 385833376 /nfs/dbraw/zinc/83/33/76/385833376.db2.gz GCVNOPYMHAHLPX-UHFFFAOYSA-N 0 1 231.251 2.140 20 0 BEADMN O=C(OC1CCCC1)c1ccc2cncn2c1 ZINC000283814196 385834887 /nfs/dbraw/zinc/83/48/87/385834887.db2.gz JBNNVEHRNPIIMX-UHFFFAOYSA-N 0 1 230.267 2.434 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCCC1CC1 ZINC000643236155 385858226 /nfs/dbraw/zinc/85/82/26/385858226.db2.gz RTVYARJTMNPPHO-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1ccc2cncn2c1 ZINC000283925354 385841801 /nfs/dbraw/zinc/84/18/01/385841801.db2.gz JHMPFAOVHCZHLT-SNVBAGLBSA-N 0 1 243.310 2.205 20 0 BEADMN CCCCN(CCCO)Cc1csc(C)n1 ZINC000271689489 385846296 /nfs/dbraw/zinc/84/62/96/385846296.db2.gz FAEWNCAIIIDHCV-UHFFFAOYSA-N 0 1 242.388 2.436 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)nn1 ZINC000414576901 385846341 /nfs/dbraw/zinc/84/63/41/385846341.db2.gz GPHZWESZFKNHTI-VXGBXAGGSA-N 0 1 229.283 2.024 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN2CCO[C@@H]3C[C@@H]32)C1 ZINC000644837132 385846962 /nfs/dbraw/zinc/84/69/62/385846962.db2.gz GYGMEQNKWOHRBG-DOERSZECSA-N 0 1 221.344 2.452 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCCC1CC1 ZINC000643236153 385858641 /nfs/dbraw/zinc/85/86/41/385858641.db2.gz RTVYARJTMNPPHO-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000284039789 385847440 /nfs/dbraw/zinc/84/74/40/385847440.db2.gz LSCILFSUYYVADO-GFCCVEGCSA-N 0 1 245.330 2.168 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2CN2CCO[C@H]3C[C@H]32)cc1 ZINC000644838777 385853289 /nfs/dbraw/zinc/85/32/89/385853289.db2.gz WWFBUNJEDAHJDH-BARDWOONSA-N 0 1 229.323 2.263 20 0 BEADMN CC[C@@H](N[C@@H](C)c1nc(C)no1)C(C)C ZINC000336741282 385855798 /nfs/dbraw/zinc/85/57/98/385855798.db2.gz VKVVSSHXZSMXTB-WCBMZHEXSA-N 0 1 211.309 2.463 20 0 BEADMN CCCCCCNCc1nccnc1OC ZINC000294833757 385901611 /nfs/dbraw/zinc/90/16/11/385901611.db2.gz SPZJFRXMNPLHKF-UHFFFAOYSA-N 0 1 223.320 2.155 20 0 BEADMN Clc1cc(NCc2n[nH]c(C3CC3)n2)ccn1 ZINC000294863052 385906172 /nfs/dbraw/zinc/90/61/72/385906172.db2.gz CJZZFGGILJMWNU-UHFFFAOYSA-N 0 1 249.705 2.343 20 0 BEADMN CCC1CCN(Cc2ccnc(OC)n2)CC1 ZINC000294904234 385914705 /nfs/dbraw/zinc/91/47/05/385914705.db2.gz SFZXVXPMEFYLAQ-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COC(=O)c1ccoc1CN1[C@@H](C)CC[C@@H]1C ZINC000342032784 385923221 /nfs/dbraw/zinc/92/32/21/385923221.db2.gz APAOPVGRDLRLSH-UWVGGRQHSA-N 0 1 237.299 2.439 20 0 BEADMN CC1=C(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CCC1 ZINC000335034049 385923708 /nfs/dbraw/zinc/92/37/08/385923708.db2.gz LVKLVRGQSYNBLX-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CCC1 ZINC000335034076 385924158 /nfs/dbraw/zinc/92/41/58/385924158.db2.gz NNKOMBRHSQGXPW-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@@](C)(N)c1ccccc1 ZINC000219238446 385924326 /nfs/dbraw/zinc/92/43/26/385924326.db2.gz QLLCQBZKXOWFMQ-KYOSRNDESA-N 0 1 246.354 2.165 20 0 BEADMN COC(=O)c1ccoc1CN1[C@H](C)CC[C@@H]1C ZINC000342032778 385924646 /nfs/dbraw/zinc/92/46/46/385924646.db2.gz APAOPVGRDLRLSH-AOOOYVTPSA-N 0 1 237.299 2.439 20 0 BEADMN CC[C@@H](C)NC(=O)c1ccc(F)cc1O ZINC000123173771 385860391 /nfs/dbraw/zinc/86/03/91/385860391.db2.gz MFXJGSYKIGITEU-SSDOTTSWSA-N 0 1 211.236 2.060 20 0 BEADMN CC1CCC(Cn2cc(CNC3CC3)nn2)CC1 ZINC000311003238 385861135 /nfs/dbraw/zinc/86/11/35/385861135.db2.gz NORHOPTXODPQLA-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN C[C@@H](NCc1cccn1C)c1ccncc1F ZINC000337953473 385861410 /nfs/dbraw/zinc/86/14/10/385861410.db2.gz LDLGQOAPKNASHE-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN Cc1nocc1C[N@@H+]1CCSCC[C@H]1C ZINC000294520582 385861895 /nfs/dbraw/zinc/86/18/95/385861895.db2.gz CLSPFOGTFVPCIH-SECBINFHSA-N 0 1 226.345 2.310 20 0 BEADMN COc1nccnc1CN(C)C1CCCCC1 ZINC000294535463 385862633 /nfs/dbraw/zinc/86/26/33/385862633.db2.gz HVNMHCBHTFIBMR-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000294528958 385863403 /nfs/dbraw/zinc/86/34/03/385863403.db2.gz WZNVIDVKWNVJPR-JFGNBEQYSA-N 0 1 249.358 2.407 20 0 BEADMN CCCCNC(=O)c1ccc(F)cc1O ZINC000123212092 385864183 /nfs/dbraw/zinc/86/41/83/385864183.db2.gz VYCZHSDUCIRSRG-UHFFFAOYSA-N 0 1 211.236 2.061 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C(C)(F)F ZINC000294561856 385867558 /nfs/dbraw/zinc/86/75/58/385867558.db2.gz MKABXYIGPUKLFZ-UHFFFAOYSA-N 0 1 239.172 2.249 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284551693 385874661 /nfs/dbraw/zinc/87/46/61/385874661.db2.gz BMIRONJKWICAIR-LLVKDONJSA-N 0 1 245.326 2.499 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CCCC2CC2)CCN1C ZINC000643238664 385878865 /nfs/dbraw/zinc/87/88/65/385878865.db2.gz CUSRCPJCYLHARE-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccncc1F ZINC000338011738 385879398 /nfs/dbraw/zinc/87/93/98/385879398.db2.gz OKLURHOWZPRVML-AXTRIDKLSA-N 0 1 238.306 2.031 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000262737591 385879617 /nfs/dbraw/zinc/87/96/17/385879617.db2.gz AVBDBNOWHQCNTD-DGCLKSJQSA-N 0 1 248.326 2.036 20 0 BEADMN C[C@H](NCCOCC1CC1)c1ccncc1F ZINC000338353085 385977551 /nfs/dbraw/zinc/97/75/51/385977551.db2.gz GLBQMSUPBDMPSC-JTQLQIEISA-N 0 1 238.306 2.298 20 0 BEADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1cc2n(n1)CCC2 ZINC000414131632 385979079 /nfs/dbraw/zinc/97/90/79/385979079.db2.gz ZVYYGFVIVUKWKG-WZRBSPASSA-N 0 1 249.358 2.047 20 0 BEADMN NC1(c2noc(-c3ccccc3O)n2)CCCC1 ZINC000414622081 385980465 /nfs/dbraw/zinc/98/04/65/385980465.db2.gz RZKVZESRGLQBQZ-UHFFFAOYSA-N 0 1 245.282 2.170 20 0 BEADMN Cc1cc[nH]c1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414623012 385985930 /nfs/dbraw/zinc/98/59/30/385985930.db2.gz NBIIKCLQEOURDI-VIFPVBQESA-N 0 1 234.303 2.419 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccc(F)cc2O)[C@H]1C ZINC000124026814 385988025 /nfs/dbraw/zinc/98/80/25/385988025.db2.gz VOMXUEBWPWDTGM-BDAKNGLRSA-N 0 1 237.274 2.402 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cnc(C)s2)C1 ZINC000285488601 385932080 /nfs/dbraw/zinc/93/20/80/385932080.db2.gz WPHDVCIXEPIODN-AOOOYVTPSA-N 0 1 226.345 2.061 20 0 BEADMN CCCCC[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000071737497 385933274 /nfs/dbraw/zinc/93/32/74/385933274.db2.gz KFRDIVRZDUSNAC-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)CC[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000071739055 385934022 /nfs/dbraw/zinc/93/40/22/385934022.db2.gz AJPUKYZWNZGVFB-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)[C@@H](N[C@H]1C=CCCC1)c1nncn1C ZINC000285527326 385937954 /nfs/dbraw/zinc/93/79/54/385937954.db2.gz ZQBAUHIOXJJROY-NWDGAFQWSA-N 0 1 234.347 2.211 20 0 BEADMN COc1nccnc1CN1C[C@@H](C)CC[C@H]1C ZINC000294997929 385939122 /nfs/dbraw/zinc/93/91/22/385939122.db2.gz YMMJXWNZPRJJOC-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CC/C=C/CCN1CCN(CC(F)F)CC1 ZINC000342180423 385940275 /nfs/dbraw/zinc/94/02/75/385940275.db2.gz AXGABKXLRAODDM-ONEGZZNKSA-N 0 1 232.318 2.225 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CCSC2)n1 ZINC000414610258 385942202 /nfs/dbraw/zinc/94/22/02/385942202.db2.gz BCMSEVBMBJHMOX-BDAKNGLRSA-N 0 1 241.360 2.336 20 0 BEADMN CC(C)(C)CCN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338286825 385942746 /nfs/dbraw/zinc/94/27/46/385942746.db2.gz XIEDUJAIPWJUJU-GFCCVEGCSA-N 0 1 239.359 2.103 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCSC2)n1 ZINC000414610261 385943078 /nfs/dbraw/zinc/94/30/78/385943078.db2.gz BCMSEVBMBJHMOX-RKDXNWHRSA-N 0 1 241.360 2.336 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CCSC2)n1 ZINC000414610260 385943621 /nfs/dbraw/zinc/94/36/21/385943621.db2.gz BCMSEVBMBJHMOX-IUCAKERBSA-N 0 1 241.360 2.336 20 0 BEADMN CC(C)C[C@H](N)c1noc(CC2(C)CC2)n1 ZINC000414611619 385945399 /nfs/dbraw/zinc/94/53/99/385945399.db2.gz CMJBEEUIJOJGHZ-VIFPVBQESA-N 0 1 223.320 2.458 20 0 BEADMN C[C@H](NCCc1ccco1)c1cc2n(n1)CCC2 ZINC000414073211 385947140 /nfs/dbraw/zinc/94/71/40/385947140.db2.gz VUXZRUHDFZMQEJ-NSHDSACASA-N 0 1 245.326 2.316 20 0 BEADMN FC(F)[C@@H]1C[C@H]1NCc1cn2ccccc2n1 ZINC000342201792 385956054 /nfs/dbraw/zinc/95/60/54/385956054.db2.gz GIPXAAFMKCGVOY-NXEZZACHSA-N 0 1 237.253 2.078 20 0 BEADMN FC(F)[C@H]1C[C@@H]1NCc1cn2ccccc2n1 ZINC000342201795 385956062 /nfs/dbraw/zinc/95/60/62/385956062.db2.gz GIPXAAFMKCGVOY-UWVGGRQHSA-N 0 1 237.253 2.078 20 0 BEADMN CCOCCN1Cc2ccccc2OC[C@@H]1C ZINC000272954859 385956301 /nfs/dbraw/zinc/95/63/01/385956301.db2.gz MZYQTLQURPAJJP-LBPRGKRZSA-N 0 1 235.327 2.306 20 0 BEADMN C[C@H](NCc1ncc(C(F)(F)F)cn1)C1CC1 ZINC000295083030 385960345 /nfs/dbraw/zinc/96/03/45/385960345.db2.gz SHGDCQVEFWCZJL-ZETCQYMHSA-N 0 1 245.248 2.384 20 0 BEADMN Cc1nc(CCN[C@@H](C)c2ccon2)cs1 ZINC000336742276 385961468 /nfs/dbraw/zinc/96/14/68/385961468.db2.gz ODTVUXFEWSXIGF-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCO1)c1cc2n(n1)CCC2 ZINC000414099406 385962783 /nfs/dbraw/zinc/96/27/83/385962783.db2.gz JPCNZEIDCOLUAC-SMDDNHRTSA-N 0 1 249.358 2.049 20 0 BEADMN FC(F)[C@H]1C[C@@H]1NCc1cccc2c1OCO2 ZINC000342220068 385963268 /nfs/dbraw/zinc/96/32/68/385963268.db2.gz SUQYHLNFUXEODA-IUCAKERBSA-N 0 1 241.237 2.159 20 0 BEADMN C[C@H](CN(C)Cc1ccno1)c1nccs1 ZINC000273081775 385966725 /nfs/dbraw/zinc/96/67/25/385966725.db2.gz QTJBDBDQTRUEHJ-SECBINFHSA-N 0 1 237.328 2.367 20 0 BEADMN CCCC(CCC)N[C@H](C(N)=O)c1ccccn1 ZINC000295110222 385969181 /nfs/dbraw/zinc/96/91/81/385969181.db2.gz LMDFWFCGZWBLHH-ZDUSSCGKSA-N 0 1 249.358 2.166 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2cccc(O)c2)n1 ZINC000414619144 385970103 /nfs/dbraw/zinc/97/01/03/385970103.db2.gz NLZGQZZEJNIXGZ-NSHDSACASA-N 0 1 247.298 2.488 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1ccn(C)n1 ZINC000414123224 385971603 /nfs/dbraw/zinc/97/16/03/385971603.db2.gz JHOQTCISSCKRCM-LLVKDONJSA-N 0 1 239.363 2.276 20 0 BEADMN CCN(C)C(=O)CNCc1ccc2occc2c1 ZINC000285876210 385972433 /nfs/dbraw/zinc/97/24/33/385972433.db2.gz JFGGLLFTILFZNJ-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CCC1(C)CN(C(=O)c2c(O)cccc2F)C1 ZINC000291152585 385974258 /nfs/dbraw/zinc/97/42/58/385974258.db2.gz YYKGJECAAYPHPG-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CC[C@H](C)[C@H](CN[C@H](C)c1ccn(C)n1)OC ZINC000414148586 385997212 /nfs/dbraw/zinc/99/72/12/385997212.db2.gz SWNHWGSVDXQUGP-LOWVWBTDSA-N 0 1 239.363 2.132 20 0 BEADMN COCc1ccc(CN2CCCSCC2)o1 ZINC000273409920 385997596 /nfs/dbraw/zinc/99/75/96/385997596.db2.gz OGPAVRDQGDKBPI-UHFFFAOYSA-N 0 1 241.356 2.365 20 0 BEADMN CN(Cc1ccn(C)c1)Cc1ccccn1 ZINC000273425207 385998715 /nfs/dbraw/zinc/99/87/15/385998715.db2.gz RTOFURFDVNOOBQ-UHFFFAOYSA-N 0 1 215.300 2.052 20 0 BEADMN Cc1[nH]ncc1CNC(=O)O[C@H](C)CC(C)C ZINC000295586481 386055836 /nfs/dbraw/zinc/05/58/36/386055836.db2.gz ZZBIHJWVGLASMK-SECBINFHSA-N 0 1 239.319 2.379 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)c1ccccc1C ZINC000295263975 386002807 /nfs/dbraw/zinc/00/28/07/386002807.db2.gz VEFZYVYUHYZOLS-XBFCOCLRSA-N 0 1 246.354 2.300 20 0 BEADMN CC(C)(CC(F)F)c1nc(C2(N)CCC2)no1 ZINC000414631412 386003372 /nfs/dbraw/zinc/00/33/72/386003372.db2.gz XAMLMQXLIKDHCU-UHFFFAOYSA-N 0 1 245.273 2.340 20 0 BEADMN COC[C@@H](NC[C@@H]1CCCO1)c1ccc(C)o1 ZINC000273474554 386004666 /nfs/dbraw/zinc/00/46/66/386004666.db2.gz GMULHTKADSYKPZ-NWDGAFQWSA-N 0 1 239.315 2.044 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1cnccc1N(C)C ZINC000273498292 386007014 /nfs/dbraw/zinc/00/70/14/386007014.db2.gz LUERPUCZWXRLRF-LLVKDONJSA-N 0 1 249.358 2.266 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCOC1CCCCCC1 ZINC000430669755 386007460 /nfs/dbraw/zinc/00/74/60/386007460.db2.gz KXMURXMPGKHHBM-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CO[C@H](CN[C@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414115983 386008814 /nfs/dbraw/zinc/00/88/14/386008814.db2.gz QAMFYDMMIDZZNO-ZYHUDNBSSA-N 0 1 239.363 2.132 20 0 BEADMN NC1(c2noc(CSC3CC3)n2)CCCC1 ZINC000414632211 386009095 /nfs/dbraw/zinc/00/90/95/386009095.db2.gz ZCHFTUXEFKXXLE-UHFFFAOYSA-N 0 1 239.344 2.193 20 0 BEADMN C[C@@H](NC1(C(F)F)CC1)C1CCOCC1 ZINC000336751551 386010164 /nfs/dbraw/zinc/01/01/64/386010164.db2.gz GMHYSDHYFDQUFA-MRVPVSSYSA-N 0 1 219.275 2.189 20 0 BEADMN CC/C(C)=C/C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000295313500 386010602 /nfs/dbraw/zinc/01/06/02/386010602.db2.gz KWFUCLZGLZRREH-OLKPEBQYSA-N 0 1 235.331 2.122 20 0 BEADMN CN(Cc1cccc(Cl)c1)C(C)(C)C(N)=O ZINC000295305667 386011471 /nfs/dbraw/zinc/01/14/71/386011471.db2.gz FPWHCHREEWSIJY-UHFFFAOYSA-N 0 1 240.734 2.036 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)c1cnccc1N ZINC000188006336 386016817 /nfs/dbraw/zinc/01/68/17/386016817.db2.gz ALIRMSILFHHSEU-UHFFFAOYSA-N 0 1 249.358 2.466 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H](C)c2nccn2C)C12CCC2 ZINC000414170964 386017581 /nfs/dbraw/zinc/01/75/81/386017581.db2.gz CIRPMGYTDPBIDZ-GRYCIOLGSA-N 0 1 249.358 2.028 20 0 BEADMN O=C(CCC1CC1)Nc1nc(C2CCC2)n[nH]1 ZINC000273641085 386019374 /nfs/dbraw/zinc/01/93/74/386019374.db2.gz UQJQOBGGENCXQH-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN O=C(CCC1CC1)Nc1n[nH]c(C2CCC2)n1 ZINC000273641085 386019380 /nfs/dbraw/zinc/01/93/80/386019380.db2.gz UQJQOBGGENCXQH-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CC[C@@H](C)N(C)Cc1nc(-c2ccccn2)no1 ZINC000365301437 386021291 /nfs/dbraw/zinc/02/12/91/386021291.db2.gz BAJFKZYYCJNCOD-SNVBAGLBSA-N 0 1 246.314 2.362 20 0 BEADMN C[C@H](NCC1CCCCC1)c1ncn(C)n1 ZINC000336752956 386021551 /nfs/dbraw/zinc/02/15/51/386021551.db2.gz WCRRRLGKQAAUAH-JTQLQIEISA-N 0 1 222.336 2.046 20 0 BEADMN CCSCCN(C)Cc1ccccn1 ZINC000273730242 386027609 /nfs/dbraw/zinc/02/76/09/386027609.db2.gz MTURMOSLPPYVML-UHFFFAOYSA-N 0 1 210.346 2.267 20 0 BEADMN COc1cnccc1[C@@H](C)NCc1cc[nH]c1 ZINC000189569075 386027803 /nfs/dbraw/zinc/02/78/03/386027803.db2.gz QYSDPHSNAOCSMU-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN CCCc1csc(CN[C@@](C)(CC)CO)n1 ZINC000336771163 386028117 /nfs/dbraw/zinc/02/81/17/386028117.db2.gz UFXCHNPGRVEITH-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN C[C@]1(F)CCC[N@@H+](CCc2ccncc2)C1 ZINC000295415401 386029723 /nfs/dbraw/zinc/02/97/23/386029723.db2.gz NBNGRXZPYFHQTE-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN C[C@]1(F)CCCN(CCc2ccncc2)C1 ZINC000295415401 386029728 /nfs/dbraw/zinc/02/97/28/386029728.db2.gz NBNGRXZPYFHQTE-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN CO[C@@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000338546396 386037213 /nfs/dbraw/zinc/03/72/13/386037213.db2.gz MBONYBLTSXLVAC-AWEZNQCLSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1nccs1 ZINC000414200614 386037777 /nfs/dbraw/zinc/03/77/77/386037777.db2.gz DGGPMWRPYSAXOZ-BBBLOLIVSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000286465578 386041844 /nfs/dbraw/zinc/04/18/44/386041844.db2.gz SZEVJSRBKNQGGS-MWLCHTKSSA-N 0 1 248.330 2.037 20 0 BEADMN COC(=O)C(C)(C)CCN(C)Cc1ccoc1 ZINC000338548686 386043209 /nfs/dbraw/zinc/04/32/09/386043209.db2.gz WPAWNTQUGPBPEF-UHFFFAOYSA-N 0 1 239.315 2.301 20 0 BEADMN Cc1nc(CN2CCC[C@H]2CCO)sc1C ZINC000303741713 386045520 /nfs/dbraw/zinc/04/55/20/386045520.db2.gz MGKDDWZXPQNJCV-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN CC(=O)c1cccc(CN(C)C2CC2)c1 ZINC000295527347 386047790 /nfs/dbraw/zinc/04/77/90/386047790.db2.gz NCGLBTQOBIZLDE-UHFFFAOYSA-N 0 1 203.285 2.483 20 0 BEADMN Cc1nc([C@H](C)NC(=O)CC2=CCCCC2)n[nH]1 ZINC000286524613 386048402 /nfs/dbraw/zinc/04/84/02/386048402.db2.gz YDMSNGJYQQNUOB-VIFPVBQESA-N 0 1 248.330 2.181 20 0 BEADMN CN(Cc1cn2c(n1)CCCC2)CC1CC1 ZINC000373775311 386049598 /nfs/dbraw/zinc/04/95/98/386049598.db2.gz MTBLSRXTDAWVSY-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN c1cnc2sc(CN3CCCC3)nc2c1 ZINC000335934331 386057797 /nfs/dbraw/zinc/05/77/97/386057797.db2.gz ILFAPWQVJHGZCA-UHFFFAOYSA-N 0 1 219.313 2.287 20 0 BEADMN Cc1cnc(CN[C@@H]2CCCc3cn[nH]c32)s1 ZINC000295586281 386054862 /nfs/dbraw/zinc/05/48/62/386054862.db2.gz DYXVBIRAQCBXSJ-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)CCCC(C)C)n[nH]1 ZINC000414245803 386055449 /nfs/dbraw/zinc/05/54/49/386055449.db2.gz MQRHZKQHRCISNS-JDNHERCYSA-N 0 1 243.376 2.359 20 0 BEADMN CCN1C[C@H](C)N(c2ncccc2F)C[C@@H]1C ZINC000345192657 386055563 /nfs/dbraw/zinc/05/55/63/386055563.db2.gz VGWUTEQDBJPVJQ-QWRGUYRKSA-N 0 1 237.322 2.140 20 0 BEADMN CCc1ncc(CNc2cc(OC)ccn2)cn1 ZINC000414291603 386100593 /nfs/dbraw/zinc/10/05/93/386100593.db2.gz KQHODNRCHWVICH-UHFFFAOYSA-N 0 1 244.298 2.055 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H](C2CC2)C1 ZINC000366124358 386101049 /nfs/dbraw/zinc/10/10/49/386101049.db2.gz MAESAYCLHNGYDC-LBPRGKRZSA-N 0 1 234.347 2.091 20 0 BEADMN CCc1nsc(NCC2CCC(F)CC2)n1 ZINC000645389747 386101500 /nfs/dbraw/zinc/10/15/00/386101500.db2.gz HVRATFKLPHUPLU-UHFFFAOYSA-N 0 1 243.351 2.463 20 0 BEADMN CCn1ccnc1NCc1cnn(CC(C)C)c1 ZINC000414294074 386103385 /nfs/dbraw/zinc/10/33/85/386103385.db2.gz DEZKRXJANQDSIT-UHFFFAOYSA-N 0 1 247.346 2.368 20 0 BEADMN CCc1nocc1CNc1nccn1CC ZINC000414297491 386105760 /nfs/dbraw/zinc/10/57/60/386105760.db2.gz IJDIIXGADBBFEQ-UHFFFAOYSA-N 0 1 220.276 2.066 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(C)cc1C ZINC000037982990 386108394 /nfs/dbraw/zinc/10/83/94/386108394.db2.gz WKPAFIOHNWCDQC-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1ncc(CN2CCC(C)=C(C)C2)cn1 ZINC000334457117 386110833 /nfs/dbraw/zinc/11/08/33/386110833.db2.gz OTXRCPWIRFIUMI-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN Cc1cc(CN2CCCC3(CC3)C2)on1 ZINC000274485415 386111687 /nfs/dbraw/zinc/11/16/87/386111687.db2.gz GHRKGWKIVDXLRG-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000295969438 386114855 /nfs/dbraw/zinc/11/48/55/386114855.db2.gz OGQPFNJGRTVFFR-XVNBXDOJSA-N 0 1 247.342 2.375 20 0 BEADMN COCc1cccc(C[N@@H+](C(C)C)C2COC2)c1 ZINC000295958512 386114894 /nfs/dbraw/zinc/11/48/94/386114894.db2.gz HPXBQYCUEZWOJK-UHFFFAOYSA-N 0 1 249.354 2.442 20 0 BEADMN COCc1cccc(CN(C(C)C)C2COC2)c1 ZINC000295958512 386114898 /nfs/dbraw/zinc/11/48/98/386114898.db2.gz HPXBQYCUEZWOJK-UHFFFAOYSA-N 0 1 249.354 2.442 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cn[nH]c1 ZINC000414313938 386115809 /nfs/dbraw/zinc/11/58/09/386115809.db2.gz PNYRXSYAYGMALS-FBIMIBRVSA-N 0 1 211.284 2.341 20 0 BEADMN CN(C)c1ccncc1C(=O)N[C@H]1CCC1(C)C ZINC000287406364 386119719 /nfs/dbraw/zinc/11/97/19/386119719.db2.gz ZDSCDMKGAZYVDL-LBPRGKRZSA-N 0 1 247.342 2.066 20 0 BEADMN Cc1noc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000336006016 386120018 /nfs/dbraw/zinc/12/00/18/386120018.db2.gz HRIQUCPLJOCVHK-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000365479825 386121603 /nfs/dbraw/zinc/12/16/03/386121603.db2.gz WKCXFDYXALMGIO-YWPYICTPSA-N 0 1 231.405 2.123 20 0 BEADMN Cn1ccc(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC000296003226 386121778 /nfs/dbraw/zinc/12/17/78/386121778.db2.gz LAUJIGVZLJUWEY-LBPRGKRZSA-N 0 1 210.296 2.349 20 0 BEADMN Cn1ccc(CN2CCC[C@](C)(F)C2)c1 ZINC000296003226 386121782 /nfs/dbraw/zinc/12/17/82/386121782.db2.gz LAUJIGVZLJUWEY-LBPRGKRZSA-N 0 1 210.296 2.349 20 0 BEADMN CCc1cccc(CN2CC[C@](F)(CO)C2)c1 ZINC000338593317 386065657 /nfs/dbraw/zinc/06/56/57/386065657.db2.gz JHVAZGKVDIIHCI-CQSZACIVSA-N 0 1 237.318 2.155 20 0 BEADMN c1ccc(OCCCN2CCOCC23CC3)cc1 ZINC000338592562 386066625 /nfs/dbraw/zinc/06/66/25/386066625.db2.gz NMBKXROPOCMYQS-UHFFFAOYSA-N 0 1 247.338 2.320 20 0 BEADMN COc1ccncc1CN1CCC=C(C)C1 ZINC000286712779 386068951 /nfs/dbraw/zinc/06/89/51/386068951.db2.gz BWUDFVZYXIDXOF-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN c1ccc(CCCN2CCOCC23CC3)cc1 ZINC000338596289 386069481 /nfs/dbraw/zinc/06/94/81/386069481.db2.gz GARCHLFQKXLSOC-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN CCc1ccc(CN2CCOC[C@H](C)C2)nc1 ZINC000334440885 386071157 /nfs/dbraw/zinc/07/11/57/386071157.db2.gz YJNMMYFECPQSNI-GFCCVEGCSA-N 0 1 234.343 2.112 20 0 BEADMN C[C@@H](CF)NCc1ccc(C(C)(C)O)cc1 ZINC000295708415 386071881 /nfs/dbraw/zinc/07/18/81/386071881.db2.gz NACIGXFKNCWUBE-JTQLQIEISA-N 0 1 225.307 2.362 20 0 BEADMN C[C@H](CF)NCc1ccc(C(C)(C)O)cc1 ZINC000295708423 386072898 /nfs/dbraw/zinc/07/28/98/386072898.db2.gz NACIGXFKNCWUBE-SNVBAGLBSA-N 0 1 225.307 2.362 20 0 BEADMN Cc1c[nH]nc1CNC[C@@H](C)C(F)(F)F ZINC000336772261 386080098 /nfs/dbraw/zinc/08/00/98/386080098.db2.gz XZBXJAZJNHGUBO-SSDOTTSWSA-N 0 1 221.226 2.006 20 0 BEADMN CO[C@@H](CNCc1cc(F)ncc1F)C(C)C ZINC000295776305 386084228 /nfs/dbraw/zinc/08/42/28/386084228.db2.gz RFGCADPGKNURLZ-NSHDSACASA-N 0 1 244.285 2.120 20 0 BEADMN C[C@H](CF)NCc1c[nH]nc1C(C)(C)C ZINC000336772900 386087186 /nfs/dbraw/zinc/08/71/86/386087186.db2.gz YMLYGNHGAMIMGD-MRVPVSSYSA-N 0 1 213.300 2.155 20 0 BEADMN CN(Cc1cncc(F)c1)C[C@@H]1CCCCO1 ZINC000274368783 386093932 /nfs/dbraw/zinc/09/39/32/386093932.db2.gz PMNGJVOVIVUWRD-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CCc1ncc(CNCCC(F)(F)F)cn1 ZINC000414357438 386145113 /nfs/dbraw/zinc/14/51/13/386145113.db2.gz JMJDRSMFBCHMAX-UHFFFAOYSA-N 0 1 233.237 2.081 20 0 BEADMN CO[C@@H]1C[N@@H+](CCc2cscn2)CC[C@@H]1C ZINC000296168976 386145871 /nfs/dbraw/zinc/14/58/71/386145871.db2.gz ZGMIFKDRGYUGCG-CMPLNLGQSA-N 0 1 240.372 2.042 20 0 BEADMN O=C(c1cnc[nH]1)N1Cc2cccc(Cl)c2C1 ZINC000335152567 386146458 /nfs/dbraw/zinc/14/64/58/386146458.db2.gz GRXQMWCEQOKSAP-UHFFFAOYSA-N 0 1 247.685 2.219 20 0 BEADMN COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000414674539 386149397 /nfs/dbraw/zinc/14/93/97/386149397.db2.gz FJUUMWWZCNGKAW-GFCCVEGCSA-N 0 1 249.310 2.053 20 0 BEADMN CCc1ncc(C[N@@H+](C)[C@H](C)C2CC2)cn1 ZINC000414367774 386153790 /nfs/dbraw/zinc/15/37/90/386153790.db2.gz FLKPAXZZJOZSTF-SNVBAGLBSA-N 0 1 219.332 2.269 20 0 BEADMN CCN(C(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000263658322 386165154 /nfs/dbraw/zinc/16/51/54/386165154.db2.gz DBINUISFXVRGDT-CYBMUJFWSA-N 0 1 246.354 2.381 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000263695998 386166774 /nfs/dbraw/zinc/16/67/74/386166774.db2.gz RDROLKCUEBAVOV-SNVBAGLBSA-N 0 1 247.323 2.449 20 0 BEADMN CCc1ncc(CN(CC)C2CC2)cn1 ZINC000414370824 386166996 /nfs/dbraw/zinc/16/69/96/386166996.db2.gz MBCFVNOEITVLGP-UHFFFAOYSA-N 0 1 205.305 2.023 20 0 BEADMN C[C@H](NCCCCO)c1c(F)cccc1F ZINC000235513907 386171665 /nfs/dbraw/zinc/17/16/65/386171665.db2.gz JQKKQRCNOICVMF-VIFPVBQESA-N 0 1 229.270 2.388 20 0 BEADMN CCONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000263752050 386173139 /nfs/dbraw/zinc/17/31/39/386173139.db2.gz IUNXUDZVWBLCKC-UHFFFAOYSA-N 0 1 242.344 2.051 20 0 BEADMN CN(Cc1cn2cccnc2n1)CC(C)(C)C ZINC000263824587 386179917 /nfs/dbraw/zinc/17/99/17/386179917.db2.gz ZBLCXJHZPXLXGW-UHFFFAOYSA-N 0 1 232.331 2.207 20 0 BEADMN c1coc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000054444846 386127478 /nfs/dbraw/zinc/12/74/78/386127478.db2.gz CKVSLAKHJOCVSS-MRVPVSSYSA-N 0 1 219.244 2.144 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[C@@H](CO)C2)no1 ZINC000414341643 386133481 /nfs/dbraw/zinc/13/34/81/386133481.db2.gz OPGJFJMFJUMBKR-TUAOUCFPSA-N 0 1 238.331 2.185 20 0 BEADMN FCCNc1cc(C2CC2)nc(NCCF)n1 ZINC000287581047 386133741 /nfs/dbraw/zinc/13/37/41/386133741.db2.gz DOSWLEOCRNVYLT-UHFFFAOYSA-N 0 1 242.273 2.117 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340528309 386143791 /nfs/dbraw/zinc/14/37/91/386143791.db2.gz VSEPMDOKIIAPMD-GMXVVIOVSA-N 0 1 237.322 2.278 20 0 BEADMN C[C@@H](CF)NCc1cc2ccccc2[nH]c1=O ZINC000288442072 386201484 /nfs/dbraw/zinc/20/14/84/386201484.db2.gz MBDDHZPYDRNWCN-VIFPVBQESA-N 0 1 234.274 2.388 20 0 BEADMN CCCCN(C)Cc1cnc([C@@H](C)O)s1 ZINC000289086153 386259376 /nfs/dbraw/zinc/25/93/76/386259376.db2.gz KWQFCAKIUWGSSZ-SECBINFHSA-N 0 1 228.361 2.428 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=C1CCCCC1 ZINC000264008520 386202399 /nfs/dbraw/zinc/20/23/99/386202399.db2.gz WGEIWBSGBARPBP-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN CCc1ccc(CN2CCC(O)(CC)CC2)nc1 ZINC000339005826 386203325 /nfs/dbraw/zinc/20/33/25/386203325.db2.gz BXBMKJAUWNUFIP-UHFFFAOYSA-N 0 1 248.370 2.381 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CC1CCC1 ZINC000097989272 386207047 /nfs/dbraw/zinc/20/70/47/386207047.db2.gz CFQMCGFMWVSMMD-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CC[C@@H](C)CN(CC)[C@@H](C)c1nncn1C ZINC000347059537 386209484 /nfs/dbraw/zinc/20/94/84/386209484.db2.gz RZELLIUUOIXCAF-MNOVXSKESA-N 0 1 224.352 2.244 20 0 BEADMN C[C@H](NCc1cscn1)[C@@H](O)c1ccccc1 ZINC000288619675 386221948 /nfs/dbraw/zinc/22/19/48/386221948.db2.gz RMGRXDAUKPTWRQ-GXFFZTMASA-N 0 1 248.351 2.355 20 0 BEADMN CC[C@H](O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000264420211 386234377 /nfs/dbraw/zinc/23/43/77/386234377.db2.gz IQECJYJFYGKBEQ-JTQLQIEISA-N 0 1 229.270 2.168 20 0 BEADMN Cc1noc2ncc(NCc3cn[nH]c3C)cc12 ZINC000275740164 386236704 /nfs/dbraw/zinc/23/67/04/386236704.db2.gz XCBDPEXOCSLLLM-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN CC[C@H](O)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000264483765 386241685 /nfs/dbraw/zinc/24/16/85/386241685.db2.gz VCNQKKCYZJEPDB-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN c1c(CNCC2=CCCCC2)nc2ncccn12 ZINC000297351682 386246536 /nfs/dbraw/zinc/24/65/36/386246536.db2.gz GBCKIGCPKSJKFY-UHFFFAOYSA-N 0 1 242.326 2.319 20 0 BEADMN CC[C@H](NC(=O)Cc1cc(C)n[nH]1)[C@H]1CC1(C)C ZINC000416274312 386251309 /nfs/dbraw/zinc/25/13/09/386251309.db2.gz IQFMBIZQKSJEPJ-NEPJUHHUSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCN1C)[C@@H]1CC1(C)C ZINC000416278011 386253552 /nfs/dbraw/zinc/25/35/52/386253552.db2.gz QFCBGSAKOFCHHR-SDDRHHMPSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1CC1(C)C ZINC000416278059 386253908 /nfs/dbraw/zinc/25/39/08/386253908.db2.gz QFCBGSAKOFCHHR-WOPDTQHZSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ncc(C(=O)N(C)C2CCCCC2)[nH]1 ZINC000264618628 386255511 /nfs/dbraw/zinc/25/55/11/386255511.db2.gz BFCSLNKAOVKWNN-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)[C@@H](C)[C@H]1C ZINC000416325343 386259178 /nfs/dbraw/zinc/25/91/78/386259178.db2.gz SNAXPRCHLSLOJR-VWYCJHECSA-N 0 1 249.358 2.190 20 0 BEADMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000263998467 386200325 /nfs/dbraw/zinc/20/03/25/386200325.db2.gz QIRKKAQNBCPWMT-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN COCc1cc(CN(C)[C@@H](C)C(C)C)no1 ZINC000297923647 386286746 /nfs/dbraw/zinc/28/67/46/386286746.db2.gz UBIVHQZBUPFVRS-JTQLQIEISA-N 0 1 226.320 2.297 20 0 BEADMN F[C@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC000628326501 386289856 /nfs/dbraw/zinc/28/98/56/386289856.db2.gz JJZXRJIQYPPTBD-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN C[N@@H+](Cc1ccc(F)cn1)[C@H](CO)C(C)(C)C ZINC000276264169 386293550 /nfs/dbraw/zinc/29/35/50/386293550.db2.gz RMRDLUWJCZUXMK-GFCCVEGCSA-N 0 1 240.322 2.060 20 0 BEADMN FC(F)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000298055091 386295590 /nfs/dbraw/zinc/29/55/90/386295590.db2.gz JISNZMNLIGGULB-UHFFFAOYSA-N 0 1 237.253 2.431 20 0 BEADMN c1c[nH]c(CN[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000164780957 386296667 /nfs/dbraw/zinc/29/66/67/386296667.db2.gz WAUPVDXODAMDJA-NWDGAFQWSA-N 0 1 219.332 2.468 20 0 BEADMN Cc1nonc1CN1CC[C@@H](c2ccccc2)C1 ZINC000265095939 386304894 /nfs/dbraw/zinc/30/48/94/386304894.db2.gz CADZLIUELMOOQW-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@@H](O)CCCN1CCc2ccc(F)cc2C1 ZINC000336669493 386312477 /nfs/dbraw/zinc/31/24/77/386312477.db2.gz AMBNCSGTVBTNAJ-LLVKDONJSA-N 0 1 237.318 2.345 20 0 BEADMN Cc1n[nH]c(C(=O)NCCc2ccsc2)c1C ZINC000265198878 386315512 /nfs/dbraw/zinc/31/55/12/386315512.db2.gz JAJNGDCUZSBVHN-UHFFFAOYSA-N 0 1 249.339 2.061 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@H](C)O2)cs1 ZINC000148624538 386316247 /nfs/dbraw/zinc/31/62/47/386316247.db2.gz HROUQGIXYSYUMI-GZMMTYOYSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](C)C2)c1C ZINC000265206075 386316616 /nfs/dbraw/zinc/31/66/16/386316616.db2.gz KGYGZWZAJMDWQY-KWQFWETISA-N 0 1 235.331 2.335 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1ccccn1 ZINC000298268568 386317146 /nfs/dbraw/zinc/31/71/46/386317146.db2.gz FKWKZGYJHHBYME-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1ccccn1 ZINC000298268572 386317326 /nfs/dbraw/zinc/31/73/26/386317326.db2.gz FKWKZGYJHHBYME-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@H](C)O2)cs1 ZINC000148624329 386318130 /nfs/dbraw/zinc/31/81/30/386318130.db2.gz HROUQGIXYSYUMI-KWQFWETISA-N 0 1 226.345 2.109 20 0 BEADMN CCc1nnc(SC[C@H]2CCCC[C@@H]2O)[nH]1 ZINC000408404816 386320492 /nfs/dbraw/zinc/32/04/92/386320492.db2.gz ASHNAERAUMYLEE-BDAKNGLRSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCCC[C@@H]2O)n1 ZINC000408404816 386320498 /nfs/dbraw/zinc/32/04/98/386320498.db2.gz ASHNAERAUMYLEE-BDAKNGLRSA-N 0 1 241.360 2.010 20 0 BEADMN Cc1cnn(CCN(C)[C@H](C)c2ccco2)c1 ZINC000336679505 386320803 /nfs/dbraw/zinc/32/08/03/386320803.db2.gz ATBFVHDGBWVORQ-GFCCVEGCSA-N 0 1 233.315 2.478 20 0 BEADMN CCCCCCNC(=O)c1[nH]nc(C)c1C ZINC000265247150 386321337 /nfs/dbraw/zinc/32/13/37/386321337.db2.gz RNZVNHCNBYMTBI-UHFFFAOYSA-N 0 1 223.320 2.337 20 0 BEADMN CN(C)CC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416293212 386261604 /nfs/dbraw/zinc/26/16/04/386261604.db2.gz QLKIFHDFIHOEQN-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C(N)=O)N1CCC[C@H]1c1ccsc1 ZINC000339139685 386262169 /nfs/dbraw/zinc/26/21/69/386262169.db2.gz IAARFDURTAATLN-QWRGUYRKSA-N 0 1 238.356 2.149 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)[nH]1 ZINC000264715708 386263729 /nfs/dbraw/zinc/26/37/29/386263729.db2.gz FFANNLDWAGVQKO-GFCCVEGCSA-N 0 1 244.298 2.024 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000264694961 386264638 /nfs/dbraw/zinc/26/46/38/386264638.db2.gz AVZRQIQSDCNJGA-SKDRFNHKSA-N 0 1 235.331 2.369 20 0 BEADMN CCC[C@@H](O)CN(C)Cc1scnc1C ZINC000297540942 386264707 /nfs/dbraw/zinc/26/47/07/386264707.db2.gz PYRUTUAPTMHEIN-SNVBAGLBSA-N 0 1 228.361 2.044 20 0 BEADMN CCC1(C)CCN(Cc2ncc[nH]2)CC1 ZINC000264762626 386268920 /nfs/dbraw/zinc/26/89/20/386268920.db2.gz ZGIIUZRIZUCKJZ-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN COCc1cc(CNCC2(C)CCC2)no1 ZINC000297659034 386271135 /nfs/dbraw/zinc/27/11/35/386271135.db2.gz NRJMAGXSTAXVLR-UHFFFAOYSA-N 0 1 224.304 2.101 20 0 BEADMN C[C@@H](CO)N(Cc1nccs1)C1CCCC1 ZINC000347233207 386273156 /nfs/dbraw/zinc/27/31/56/386273156.db2.gz QPRDKVXASGOFNU-JTQLQIEISA-N 0 1 240.372 2.269 20 0 BEADMN COC[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276107679 386273935 /nfs/dbraw/zinc/27/39/35/386273935.db2.gz AISKMCJXLDLVLZ-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CC(C)(C)OC(=O)CCN1CC[C@](C)(F)C1 ZINC000347347033 386341420 /nfs/dbraw/zinc/34/14/20/386341420.db2.gz GIHHFAMFXQAVGV-LBPRGKRZSA-N 0 1 231.311 2.152 20 0 BEADMN COC[C@@H]1CCN1C/C=C\c1ccccc1 ZINC000339290623 386341760 /nfs/dbraw/zinc/34/17/60/386341760.db2.gz LAUHXYJOPKKSEN-PODYEWJSSA-N 0 1 217.312 2.421 20 0 BEADMN Cc1c[nH]nc1CNCCOc1ccc(C)cc1 ZINC000289685150 386342443 /nfs/dbraw/zinc/34/24/43/386342443.db2.gz AZTAZYPCESEXCI-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1ccnc(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000265512644 386343662 /nfs/dbraw/zinc/34/36/62/386343662.db2.gz KOCHQWGRVHEGCU-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN Cc1nc(CNC[C@H]2CCC(C)(C)O2)cs1 ZINC000166086537 386345637 /nfs/dbraw/zinc/34/56/37/386345637.db2.gz GNRFFMLUJMTZEV-LLVKDONJSA-N 0 1 240.372 2.499 20 0 BEADMN CC1CCC(O)(C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000347350953 386346520 /nfs/dbraw/zinc/34/65/20/386346520.db2.gz MNMGGSVVXTUNOD-CPCZMJQVSA-N 0 1 229.339 2.362 20 0 BEADMN C[C@H]1SCCN(Cc2ccno2)[C@@H]1C ZINC000265516609 386347348 /nfs/dbraw/zinc/34/73/48/386347348.db2.gz NEQQOWDPYJZXLK-RKDXNWHRSA-N 0 1 212.318 2.000 20 0 BEADMN COCc1cc(CN[C@H]2CC=CCC2)no1 ZINC000298457068 386347484 /nfs/dbraw/zinc/34/74/84/386347484.db2.gz OELNWLAWBPXKSH-JTQLQIEISA-N 0 1 222.288 2.019 20 0 BEADMN CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H](C)C2)C1=O ZINC000248357673 386352874 /nfs/dbraw/zinc/35/28/74/386352874.db2.gz PTLNTTWQABNVOB-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CN(CCSC(C)C)CCO1 ZINC000336688998 386354495 /nfs/dbraw/zinc/35/44/95/386354495.db2.gz OACDSNHIIFBBJT-NSHDSACASA-N 0 1 217.378 2.239 20 0 BEADMN Cc1cccc(NC(=O)N2CCN[C@@H](C)C2)c1C ZINC000335270163 386355433 /nfs/dbraw/zinc/35/54/33/386355433.db2.gz CTYIEIIQYJDQGZ-NSHDSACASA-N 0 1 247.342 2.129 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265650107 386357542 /nfs/dbraw/zinc/35/75/42/386357542.db2.gz UZSUXXTYSLZBGO-NSHDSACASA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)N(C(=O)c1cnc[nH]1)C1CCCC1 ZINC000265650111 386358226 /nfs/dbraw/zinc/35/82/26/386358226.db2.gz UZUGTUKAUFIJPB-UHFFFAOYSA-N 0 1 221.304 2.203 20 0 BEADMN CC[C@H](OC)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276645904 386360475 /nfs/dbraw/zinc/36/04/75/386360475.db2.gz DCDUCPUTTDQQNW-LBPRGKRZSA-N 0 1 247.298 2.235 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])C(C1CC1)C1CC1 ZINC000181551644 386362635 /nfs/dbraw/zinc/36/26/35/386362635.db2.gz LOJKTIJHNQNSSQ-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000276671346 386363418 /nfs/dbraw/zinc/36/34/18/386363418.db2.gz SZOOTQFEDVJQPJ-ZJUUUORDSA-N 0 1 247.342 2.064 20 0 BEADMN C[N@@H+](CCc1cccc2ccccc21)CC(=O)[O-] ZINC000237217961 386364882 /nfs/dbraw/zinc/36/48/82/386364882.db2.gz IRFFLKKVECPNIE-UHFFFAOYSA-N 0 1 243.306 2.399 20 0 BEADMN CCCCN(Cc1cc(C)n(C)n1)C1CC1 ZINC000336693420 386366104 /nfs/dbraw/zinc/36/61/04/386366104.db2.gz CSJIMZLWBJODFN-UHFFFAOYSA-N 0 1 221.348 2.493 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)C[C@H](C)O1 ZINC000347361540 386366786 /nfs/dbraw/zinc/36/67/86/386366786.db2.gz LCWDJJYLQTVCIA-BETUJISGSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@]1(C)CN(Cc2ccn(C)c2)CCO1 ZINC000276705926 386368295 /nfs/dbraw/zinc/36/82/95/386368295.db2.gz FWMVKYOJNIASIZ-CYBMUJFWSA-N 0 1 222.332 2.026 20 0 BEADMN C[C@H](CCc1ccco1)N[C@@H](C)c1ncnn1C ZINC000276714125 386368451 /nfs/dbraw/zinc/36/84/51/386368451.db2.gz XASRUPXNNIVOPU-MNOVXSKESA-N 0 1 248.330 2.080 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CCOC2)c(C)s1 ZINC000336690308 386370014 /nfs/dbraw/zinc/37/00/14/386370014.db2.gz ASUXPPBUMWIPEP-NSHDSACASA-N 0 1 240.372 2.228 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3ccncc3)C2)c1 ZINC000289984586 386380541 /nfs/dbraw/zinc/38/05/41/386380541.db2.gz RZSVFDHVIDHALD-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN COC[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000347393681 386382188 /nfs/dbraw/zinc/38/21/88/386382188.db2.gz VGJGLZJWGISUNI-NSHDSACASA-N 0 1 246.310 2.466 20 0 BEADMN Cc1c(CNCc2cc(F)ccc2C)cnn1C ZINC000226514437 386325551 /nfs/dbraw/zinc/32/55/51/386325551.db2.gz BZRDOGKZQQXSTQ-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000265356031 386329032 /nfs/dbraw/zinc/32/90/32/386329032.db2.gz SDGSPXFQBBZTIA-LLVKDONJSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1cn[nH]c1CN1Cc2ccccc2C1 ZINC000290488131 386441631 /nfs/dbraw/zinc/44/16/31/386441631.db2.gz RKWRDRBKWRLDIZ-UHFFFAOYSA-N 0 1 213.284 2.234 20 0 BEADMN Cc1cnc([C@@H](C)N[C@H](C)CCn2cccn2)o1 ZINC000347488273 386441694 /nfs/dbraw/zinc/44/16/94/386441694.db2.gz ICCOUUWOBSNYCU-ZYHUDNBSSA-N 0 1 248.330 2.309 20 0 BEADMN c1cn(CC[N@H+]2CC[C@H]2c2ccccc2)cn1 ZINC000336715931 386445116 /nfs/dbraw/zinc/44/51/16/386445116.db2.gz VFYXNGCAQQAXBV-AWEZNQCLSA-N 0 1 227.311 2.330 20 0 BEADMN COC(C)(C)[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453338131 386448790 /nfs/dbraw/zinc/44/87/90/386448790.db2.gz FTEUKAUXBBWQIF-VWYCJHECSA-N 0 1 237.347 2.292 20 0 BEADMN COC(C)(C)[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453338112 386450067 /nfs/dbraw/zinc/45/00/67/386450067.db2.gz FTEUKAUXBBWQIF-OUAUKWLOSA-N 0 1 237.347 2.292 20 0 BEADMN CC[C@H](NC(=O)C(F)(F)F)c1ccncc1 ZINC000266064678 386395498 /nfs/dbraw/zinc/39/54/98/386395498.db2.gz IWRUHHVQAQALTF-QMMMGPOBSA-N 0 1 232.205 2.211 20 0 BEADMN C[C@H](O)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000336704826 386396314 /nfs/dbraw/zinc/39/63/14/386396314.db2.gz QQTKMPLOJXOAJG-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN CCCCCC[C@@H](C)C(=O)NCc1nnc[nH]1 ZINC000266083221 386398019 /nfs/dbraw/zinc/39/80/19/386398019.db2.gz HFBDQHUKQPZCTN-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN C[C@H](O)CCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000336706022 386399623 /nfs/dbraw/zinc/39/96/23/386399623.db2.gz VDKFPVSDXQWQJD-GUTXKFCHSA-N 0 1 249.354 2.219 20 0 BEADMN CCc1cc(C(=O)N2CCC(CC)CC2)n[nH]1 ZINC000298944384 386400679 /nfs/dbraw/zinc/40/06/79/386400679.db2.gz JUTMWLVVJDADIH-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN CC[C@H]1CN(Cc2c(C)cnn2C)CCS1 ZINC000290177423 386401946 /nfs/dbraw/zinc/40/19/46/386401946.db2.gz YVERSRLZFRKQBO-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC(C)(C)CC2)n1 ZINC000336702063 386404329 /nfs/dbraw/zinc/40/43/29/386404329.db2.gz HQISHJZKNXHOOF-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN c1c[nH]c(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000266168166 386406141 /nfs/dbraw/zinc/40/61/41/386406141.db2.gz QDSTTXMWFRVOAU-QWHCGFSZSA-N 0 1 227.311 2.131 20 0 BEADMN CSCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000339397494 386406571 /nfs/dbraw/zinc/40/65/71/386406571.db2.gz XNVUKRHMSKDGKD-VIFPVBQESA-N 0 1 243.376 2.411 20 0 BEADMN CC[C@]1(C)CCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000347457302 386413087 /nfs/dbraw/zinc/41/30/87/386413087.db2.gz DCZAFZIERUDWTM-CYBMUJFWSA-N 0 1 234.347 2.304 20 0 BEADMN CC(C)CC[C@@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000277233492 386417860 /nfs/dbraw/zinc/41/78/60/386417860.db2.gz NKUNZLQOHWMNIO-MRVPVSSYSA-N 0 1 249.318 2.295 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1cccc(F)c1 ZINC000290368175 386425803 /nfs/dbraw/zinc/42/58/03/386425803.db2.gz HLOAKLSAMNWROQ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN COc1ncncc1CN1CCC[C@@H](C2CC2)C1 ZINC000648036574 386429666 /nfs/dbraw/zinc/42/96/66/386429666.db2.gz OXDURCSAILFOBZ-GFCCVEGCSA-N 0 1 247.342 2.107 20 0 BEADMN C[C@H](C(=O)N(C)c1ccccc1)N1C[C@@H](C)[C@@H]1C ZINC000339572635 386470052 /nfs/dbraw/zinc/47/00/52/386470052.db2.gz BBXCQCBMFBRBCX-FRRDWIJNSA-N 0 1 246.354 2.378 20 0 BEADMN COc1ncncc1CN(C)[C@H](C)C(C)(C)C ZINC000648002281 386471520 /nfs/dbraw/zinc/47/15/20/386471520.db2.gz KSCSDZKSTVOAGP-SNVBAGLBSA-N 0 1 237.347 2.352 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000299614707 386472327 /nfs/dbraw/zinc/47/23/27/386472327.db2.gz ILASLLFETSVLES-LLVKDONJSA-N 0 1 247.323 2.449 20 0 BEADMN C[C@@H]1CN([C@@H]2CCc3ccccc3NC2=O)[C@H]1C ZINC000339579285 386472858 /nfs/dbraw/zinc/47/28/58/386472858.db2.gz BMHNYQBSMCJMEA-UHIISALHSA-N 0 1 244.338 2.280 20 0 BEADMN CN(C)CC(=O)NCc1ccc(C2CCC2)cc1 ZINC000277909265 386476766 /nfs/dbraw/zinc/47/67/66/386476766.db2.gz RUSHRXWKSUJYMG-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1c[nH]nc1CN1CCCC2(CC2)C1 ZINC000290829073 386477864 /nfs/dbraw/zinc/47/78/64/386477864.db2.gz HUNLXOYNJVAWMS-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN CN(Cc1ccc(Cl)o1)[C@@H]1CCOC1 ZINC000336323613 386479020 /nfs/dbraw/zinc/47/90/20/386479020.db2.gz BAYHYRSFKWNFJP-MRVPVSSYSA-N 0 1 215.680 2.154 20 0 BEADMN Cc1noc(C)c1CCN1CCSC[C@H]1C ZINC000335426903 386479723 /nfs/dbraw/zinc/47/97/23/386479723.db2.gz IMHXUYNITQTMDN-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)C)n[nH]1 ZINC000278047743 386485667 /nfs/dbraw/zinc/48/56/67/386485667.db2.gz ZTYXTDCBXYKMSQ-RKDXNWHRSA-N 0 1 238.335 2.151 20 0 BEADMN COc1ncccc1CCNc1cccc(C)n1 ZINC000290929450 386488152 /nfs/dbraw/zinc/48/81/52/386488152.db2.gz YQKMUKCLUIYTSD-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN Cc1sc(CN[C@H]2CCOC2)nc1C(C)C ZINC000336752663 386489189 /nfs/dbraw/zinc/48/91/89/386489189.db2.gz VYQOLGHUVVIWSK-JTQLQIEISA-N 0 1 240.372 2.453 20 0 BEADMN Cc1ccoc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291032377 386502060 /nfs/dbraw/zinc/50/20/60/386502060.db2.gz BNZXYHVGAIKBPD-SNVBAGLBSA-N 0 1 245.269 2.038 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000335443304 386503772 /nfs/dbraw/zinc/50/37/72/386503772.db2.gz NDEXVQFESADMFH-SKDRFNHKSA-N 0 1 237.299 2.131 20 0 BEADMN CCC[C@H](NC(=O)[C@H]1CCCN1C)C(C)(C)C ZINC000456119944 386505626 /nfs/dbraw/zinc/50/56/26/386505626.db2.gz SMEVPRXSCGWFLO-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](NC(=O)[C@H]1CCCN1C)C(C)(C)C ZINC000456119961 386507723 /nfs/dbraw/zinc/50/77/23/386507723.db2.gz SMEVPRXSCGWFLO-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1nc(F)ccc1CN[C@H](C)c1cnn(C)c1 ZINC000278293239 386507906 /nfs/dbraw/zinc/50/79/06/386507906.db2.gz BPIVSYFRFXWUEA-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](CN(C)Cc1cn(C)nn1)c1ccccc1 ZINC000336784181 386508536 /nfs/dbraw/zinc/50/85/36/386508536.db2.gz YVCHLHYDUQRTRH-GFCCVEGCSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@H](N(C)Cc1ncccn1)C(C)(C)C ZINC000519614534 386511306 /nfs/dbraw/zinc/51/13/06/386511306.db2.gz BCHSVQDQEGUBRQ-JTQLQIEISA-N 0 1 207.321 2.343 20 0 BEADMN Cc1nccc(NC[C@@H](C)C[C@@H](C)O)c1Cl ZINC000336779673 386514761 /nfs/dbraw/zinc/51/47/61/386514761.db2.gz PDHBYERZZPSZAF-DTWKUNHWSA-N 0 1 242.750 2.284 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCSC1CCCCC1 ZINC000519649329 386517576 /nfs/dbraw/zinc/51/75/76/386517576.db2.gz ZJKZCNPZOSVDMI-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@@]1(C)CN(Cc2cccc(N)c2)CCO1 ZINC000647972245 386519147 /nfs/dbraw/zinc/51/91/47/386519147.db2.gz SFLGEAXXSHOGJH-AWEZNQCLSA-N 0 1 234.343 2.270 20 0 BEADMN Cc1cnc(CN[C@H]2CCSC2)s1 ZINC000122863428 386522848 /nfs/dbraw/zinc/52/28/48/386522848.db2.gz CIBMFMZDGGOROI-QMMMGPOBSA-N 0 1 214.359 2.047 20 0 BEADMN COc1ncncc1CN1CC(C)(C)C[C@H]1C ZINC000648044172 386524538 /nfs/dbraw/zinc/52/45/38/386524538.db2.gz WILKQLWEDKGSPO-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)CSCCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000519646992 386524670 /nfs/dbraw/zinc/52/46/70/386524670.db2.gz VDTJKHGWBWKSDM-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN CCC[C@]1(C)C(=O)NCCN1[C@H]1C=CCCC1 ZINC000187351440 386527040 /nfs/dbraw/zinc/52/70/40/386527040.db2.gz LXNYFQRAQCYDRA-GXTWGEPZSA-N 0 1 236.359 2.086 20 0 BEADMN CCN(Cc1ccoc1C)[C@@H]1CCOC1 ZINC000414450010 386527620 /nfs/dbraw/zinc/52/76/20/386527620.db2.gz FMJXLJUGCAUZHU-GFCCVEGCSA-N 0 1 209.289 2.199 20 0 BEADMN Cn1ccc(CN2CCC(C3CC3)CC2)n1 ZINC000366399361 386454837 /nfs/dbraw/zinc/45/48/37/386454837.db2.gz JVOAEZLFFITKLL-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(O)cc1 ZINC000290590958 386454978 /nfs/dbraw/zinc/45/49/78/386454978.db2.gz VGSQOSVCIRAZHG-UHFFFAOYSA-N 0 1 245.326 2.364 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000299496971 386458778 /nfs/dbraw/zinc/45/87/78/386458778.db2.gz HCGZATJSXKJORH-UONOGXRCSA-N 0 1 246.354 2.348 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C)cc1 ZINC000299482658 386459154 /nfs/dbraw/zinc/45/91/54/386459154.db2.gz DBDRBKJTXQCHKQ-JSGCOSHPSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccc2nc(CNC(=O)CC3CC3)[nH]c2c1 ZINC000266662869 386459856 /nfs/dbraw/zinc/45/98/56/386459856.db2.gz ROZAGKINRHXAPJ-UHFFFAOYSA-N 0 1 243.310 2.288 20 0 BEADMN CC(C)CC1(C(=O)N2CCNCC2)CCCC1 ZINC000094897256 386460494 /nfs/dbraw/zinc/46/04/94/386460494.db2.gz YDJYXSQCNOVXEF-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1ncc(CN2CC(C3CCC3)C2)cn1 ZINC000414437927 386462007 /nfs/dbraw/zinc/46/20/07/386462007.db2.gz IJMICDVKPYIGRI-UHFFFAOYSA-N 0 1 231.343 2.271 20 0 BEADMN Cc1cnc(CNc2cc3c(cn2)CCC3)n1C ZINC000339552681 386462408 /nfs/dbraw/zinc/46/24/08/386462408.db2.gz FQNBRWQEYZUOPL-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN Cc1ccc(CNC(=O)[C@H]2CCCN2C)c(C)c1 ZINC000299516705 386462818 /nfs/dbraw/zinc/46/28/18/386462818.db2.gz KQYVBYOXLZEYIO-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CCC1(C(=O)N2CCCN(C)CC2)CCCC1 ZINC000335412395 386575042 /nfs/dbraw/zinc/57/50/42/386575042.db2.gz WVETVZAMCAOPQY-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cc1ccc(CNCCOCC2CCCC2)nn1 ZINC000414457387 386577379 /nfs/dbraw/zinc/57/73/79/386577379.db2.gz JFGPVPVHKFYPRK-UHFFFAOYSA-N 0 1 249.358 2.081 20 0 BEADMN c1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1 ZINC000335413952 386580313 /nfs/dbraw/zinc/58/03/13/386580313.db2.gz AFQQJMCDEKTXMD-AWEZNQCLSA-N 0 1 249.379 2.395 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cc(F)ccc2F)C1 ZINC000335415439 386583018 /nfs/dbraw/zinc/58/30/18/386583018.db2.gz PHDMDOXLZOSIGJ-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2(C(C)C)CC2)c1C ZINC000267816931 386587448 /nfs/dbraw/zinc/58/74/48/386587448.db2.gz VPOFOIPHPLGUBQ-UHFFFAOYSA-N 0 1 235.331 2.193 20 0 BEADMN CCCN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000520151292 386587705 /nfs/dbraw/zinc/58/77/05/386587705.db2.gz OQBUZAYSESNUDE-UHFFFAOYSA-N 0 1 233.271 2.152 20 0 BEADMN Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)nn1C ZINC000414459872 386589883 /nfs/dbraw/zinc/58/98/83/386589883.db2.gz CAKJJMVYHUXJLP-GJZGRUSLSA-N 0 1 245.370 2.349 20 0 BEADMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1C ZINC000245436759 386591997 /nfs/dbraw/zinc/59/19/97/386591997.db2.gz DMYAYNAZHWNEFO-WCQYABFASA-N 0 1 233.311 2.385 20 0 BEADMN CC(C)=CCN[C@H](c1nccn1C)C1CC1 ZINC000188451908 386593073 /nfs/dbraw/zinc/59/30/73/386593073.db2.gz RGTDHMXKUQIPPX-LBPRGKRZSA-N 0 1 219.332 2.427 20 0 BEADMN Cc1cc(CN2CC[C@H](c3cccnc3)C2)no1 ZINC000335422479 386595786 /nfs/dbraw/zinc/59/57/86/386595786.db2.gz WFTUSMBQUYASMN-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000062936045 386532911 /nfs/dbraw/zinc/53/29/11/386532911.db2.gz AJFVUDZEGNRAIV-SBJJXXPASA-N 0 1 245.322 2.496 20 0 BEADMN COCC[C@H]1COCCN1Cc1ccc(C)cc1 ZINC000291355972 386535867 /nfs/dbraw/zinc/53/58/67/386535867.db2.gz XTJWRLIUSRVMJB-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC[C@H](C)C2)cc1 ZINC000228074007 386537201 /nfs/dbraw/zinc/53/72/01/386537201.db2.gz ZXGWKSFIRURUGI-JSGCOSHPSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC(C)(C)C)cc1 ZINC000228080087 386537422 /nfs/dbraw/zinc/53/74/22/386537422.db2.gz KTKGBTJEURDWPI-GFCCVEGCSA-N 0 1 234.343 2.157 20 0 BEADMN CCCCN(C)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228074344 386537810 /nfs/dbraw/zinc/53/78/10/386537810.db2.gz ONWOQCODMNZNFZ-ZDUSSCGKSA-N 0 1 234.343 2.253 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)CC(C)C)cc1 ZINC000228079944 386538331 /nfs/dbraw/zinc/53/83/31/386538331.db2.gz XBWBLLDLRQQKPH-CYBMUJFWSA-N 0 1 234.343 2.109 20 0 BEADMN Cc1ccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)cc1 ZINC000187396000 386541651 /nfs/dbraw/zinc/54/16/51/386541651.db2.gz ZVYITHLQKYGNDK-GXTWGEPZSA-N 0 1 246.354 2.081 20 0 BEADMN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(F)c(F)c1 ZINC000399403192 386543409 /nfs/dbraw/zinc/54/34/09/386543409.db2.gz HGXAOXFMLWMDRY-MWLCHTKSSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)c1nnc(CNC[C@@H]2C[C@H]2C)s1 ZINC000336755940 386550623 /nfs/dbraw/zinc/55/06/23/386550623.db2.gz JCAXPUKDJSUJIF-BDAKNGLRSA-N 0 1 225.361 2.407 20 0 BEADMN COc1ncncc1CN1CC[C@@H](C)C[C@H]1C ZINC000648044907 386554716 /nfs/dbraw/zinc/55/47/16/386554716.db2.gz DYBIEMGDQYMCMR-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CCCc1nc(CN[C@H](C)[C@H](C)CO)cs1 ZINC000336780571 386555306 /nfs/dbraw/zinc/55/53/06/386555306.db2.gz RREFNMUSWHQUAY-NXEZZACHSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cncc(F)c1 ZINC000163918198 386559764 /nfs/dbraw/zinc/55/97/64/386559764.db2.gz WQKXNSCHATZFFV-ZJUUUORDSA-N 0 1 248.305 2.366 20 0 BEADMN CCN(Cc1cncn1C(C)C)C1CC1 ZINC000425325330 386561085 /nfs/dbraw/zinc/56/10/85/386561085.db2.gz LVNYZJZIJVBPDS-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CCOCCN(CC)Cc1cncn1C(C)C ZINC000425324846 386561861 /nfs/dbraw/zinc/56/18/61/386561861.db2.gz LFTRUUUTJXMZKK-UHFFFAOYSA-N 0 1 239.363 2.322 20 0 BEADMN CO[C@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000267628830 386562966 /nfs/dbraw/zinc/56/29/66/386562966.db2.gz GIFYYCIWGFXJTM-AWEZNQCLSA-N 0 1 235.327 2.095 20 0 BEADMN Cc1ccc(CNCc2cncs2)cn1 ZINC000062051497 386564566 /nfs/dbraw/zinc/56/45/66/386564566.db2.gz BLTFPPDCFFIJQD-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN C1CCC([N@H+]2CCO[C@@]3(CCSC3)C2)C1 ZINC000335407917 386567853 /nfs/dbraw/zinc/56/78/53/386567853.db2.gz JWQPYEYDXXQQNM-LBPRGKRZSA-N 0 1 227.373 2.137 20 0 BEADMN Cc1cnccc1CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000335409790 386571220 /nfs/dbraw/zinc/57/12/20/386571220.db2.gz WDAXZEIKZCZTKJ-BETUJISGSA-N 0 1 234.343 2.042 20 0 BEADMN Cc1cnccc1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000335409790 386571223 /nfs/dbraw/zinc/57/12/23/386571223.db2.gz WDAXZEIKZCZTKJ-BETUJISGSA-N 0 1 234.343 2.042 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@@H](C)c1cc(C)on1 ZINC000284028828 386627217 /nfs/dbraw/zinc/62/72/17/386627217.db2.gz JEPYVJSVMAGZEY-PTOFAABTSA-N 0 1 226.320 2.041 20 0 BEADMN CCC1CN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000335501233 386630755 /nfs/dbraw/zinc/63/07/55/386630755.db2.gz GDIYUGFGLWZIFF-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN c1cnc(CN2CC[C@H](C3CCCC3)C2)nc1 ZINC000335504507 386635214 /nfs/dbraw/zinc/63/52/14/386635214.db2.gz URJAQNBACWODBD-ZDUSSCGKSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H](NCCO)c1nc(C(C)(C)C)cs1 ZINC000045205815 386642406 /nfs/dbraw/zinc/64/24/06/386642406.db2.gz FAYXUOIPTORUNR-MRVPVSSYSA-N 0 1 228.361 2.084 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC000268361547 386644317 /nfs/dbraw/zinc/64/43/17/386644317.db2.gz KMVCJDXTWNUZNP-WDEREUQCSA-N 0 1 235.331 2.335 20 0 BEADMN C[C@H](CN[C@H](C)c1cnccn1)C(F)(F)F ZINC000336759091 386648797 /nfs/dbraw/zinc/64/87/97/386648797.db2.gz ZXVHYFUWZASLJQ-HTQZYQBOSA-N 0 1 233.237 2.326 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2sc(Cl)cc2C1 ZINC000335424165 386599581 /nfs/dbraw/zinc/59/95/81/386599581.db2.gz NGXPOHWDWFPPSY-LURJTMIESA-N 0 1 245.731 2.233 20 0 BEADMN CC1(C(N)=O)CN(Cc2cc3cccnc3o2)C1 ZINC000335424919 386601368 /nfs/dbraw/zinc/60/13/68/386601368.db2.gz SIUJZCZIXXTLOH-UHFFFAOYSA-N 0 1 245.282 2.185 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@H](C)C2)nc1 ZINC000335487041 386602859 /nfs/dbraw/zinc/60/28/59/386602859.db2.gz YLMUXTVTBYWEJG-NEPJUHHUSA-N 0 1 219.332 2.263 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N(C)C[C@H](C)O ZINC000245762765 386605945 /nfs/dbraw/zinc/60/59/45/386605945.db2.gz IXNAYEJFHBJHHZ-DTWKUNHWSA-N 0 1 229.270 2.338 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N(C)C[C@H](C)O ZINC000245746610 386606345 /nfs/dbraw/zinc/60/63/45/386606345.db2.gz GAGGATKOUBUHCV-DTWKUNHWSA-N 0 1 229.270 2.338 20 0 BEADMN Cc1cc(C)c2c(c1)C[N@@H+]([C@@H](C)C(=O)[O-])CC2 ZINC000263582769 386606680 /nfs/dbraw/zinc/60/66/80/386606680.db2.gz ZACOCRAHLNQUIM-NSHDSACASA-N 0 1 233.311 2.135 20 0 BEADMN COC[C@H](N[C@@H]1CS[C@@H](C)C1)c1ccco1 ZINC000638722752 386608849 /nfs/dbraw/zinc/60/88/49/386608849.db2.gz VIBJYKOCVISBQQ-DCAQKATOSA-N 0 1 241.356 2.451 20 0 BEADMN C[C@H](c1ccccn1)N1CCOCC2(CC2)C1 ZINC000335491827 386609153 /nfs/dbraw/zinc/60/91/53/386609153.db2.gz NWEYTHOICUWOSV-GFCCVEGCSA-N 0 1 232.327 2.255 20 0 BEADMN C[C@@H](CS(C)(=O)=O)N(C)CCCC(C)(C)C ZINC000337184688 386655191 /nfs/dbraw/zinc/65/51/91/386655191.db2.gz NZEUBCBFELSITK-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CCCC3)C2)o1 ZINC000335493180 386612493 /nfs/dbraw/zinc/61/24/93/386612493.db2.gz XLJRQPFACURFLF-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN C1[C@@H]2C[C@@H](c3nc(C4CCCC4)no3)N[C@H]12 ZINC000644926061 386617717 /nfs/dbraw/zinc/61/77/17/386617717.db2.gz WRUXZPKUFOJELF-BBBLOLIVSA-N 0 1 219.288 2.150 20 0 BEADMN COC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000062954775 386659945 /nfs/dbraw/zinc/65/99/45/386659945.db2.gz PPMCUHCGOZAZCH-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CN(C(=O)c1cccc2c[nH]nc21)C(C)(C)C ZINC000335520601 386659949 /nfs/dbraw/zinc/65/99/49/386659949.db2.gz JKOBGIMHYVSIOU-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@H]2c2ccccc2)n[nH]1 ZINC000292514644 386682204 /nfs/dbraw/zinc/68/22/04/386682204.db2.gz NPYBTGXYXVWEBH-HZMBPMFUSA-N 0 1 242.326 2.306 20 0 BEADMN CCCCCN(CC(=O)OC)[C@@H](C)CC ZINC000337220277 386662036 /nfs/dbraw/zinc/66/20/36/386662036.db2.gz BWIWMCXSONNBFD-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCC[C@@](C)(CO)NCc1ncc(Cl)s1 ZINC000336759701 386667438 /nfs/dbraw/zinc/66/74/38/386667438.db2.gz LANBUNMGBJKKRU-JTQLQIEISA-N 0 1 248.779 2.437 20 0 BEADMN CCC[C@](C)(CO)NCc1ncc(Cl)s1 ZINC000336759704 386669038 /nfs/dbraw/zinc/66/90/38/386669038.db2.gz LANBUNMGBJKKRU-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN CCN(CC(C)(C)O)[C@H](C)c1ncc(C)o1 ZINC000357000678 386682474 /nfs/dbraw/zinc/68/24/74/386682474.db2.gz LMBMZPIFDUBYGK-SNVBAGLBSA-N 0 1 226.320 2.137 20 0 BEADMN c1ccc([C@H]2CN(CC3CC3)CCO2)cc1 ZINC000268680279 386681474 /nfs/dbraw/zinc/68/14/74/386681474.db2.gz MHSKYWCMADRKAM-CQSZACIVSA-N 0 1 217.312 2.470 20 0 BEADMN C[C@](N)(C(=O)N[C@H]1C=CCCC1)c1ccccc1 ZINC000335530650 386681780 /nfs/dbraw/zinc/68/17/80/386681780.db2.gz JTKWSZSRWPWBCA-DZGCQCFKSA-N 0 1 244.338 2.085 20 0 BEADMN CC(C)c1cc(C(=O)N(C)C(C)(C)C)n[nH]1 ZINC000335521143 386658011 /nfs/dbraw/zinc/65/80/11/386658011.db2.gz KBNDRIQFZIKZRL-UHFFFAOYSA-N 0 1 223.320 2.404 20 0 BEADMN CCCc1nc(C)c(CN[C@H](C)COC)o1 ZINC000336783092 386658701 /nfs/dbraw/zinc/65/87/01/386658701.db2.gz ZKGANMPTDLNTCW-SECBINFHSA-N 0 1 226.320 2.060 20 0 BEADMN CN(C)c1ccc(CSc2cn[nH]n2)cc1 ZINC000292681780 386709882 /nfs/dbraw/zinc/70/98/82/386709882.db2.gz OZBYKOPTXZZSFQ-UHFFFAOYSA-N 0 1 234.328 2.163 20 0 BEADMN CC[C@H]1CCCN1Cc1ccoc1C(=O)OC ZINC000340692671 386710531 /nfs/dbraw/zinc/71/05/31/386710531.db2.gz MYDIUMBZJSWXKD-NSHDSACASA-N 0 1 237.299 2.441 20 0 BEADMN Cc1cc(C)cc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000042707361 386686781 /nfs/dbraw/zinc/68/67/81/386686781.db2.gz IDODNHSXAINCGT-LBPRGKRZSA-N 0 1 235.327 2.456 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(C)cc1F)N(C)C ZINC000268724682 386687455 /nfs/dbraw/zinc/68/74/55/386687455.db2.gz JKUUQYQWCNEYIL-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN CCN(Cc1oc(C)nc1C)C[C@@H](C)OC ZINC000643420632 386688534 /nfs/dbraw/zinc/68/85/34/386688534.db2.gz HFJCWRLGDPEDSM-SECBINFHSA-N 0 1 226.320 2.148 20 0 BEADMN CC(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268752380 386690626 /nfs/dbraw/zinc/69/06/26/386690626.db2.gz VSYPISPWNOSIAO-UHFFFAOYSA-N 0 1 221.182 2.023 20 0 BEADMN CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357030922 386695130 /nfs/dbraw/zinc/69/51/30/386695130.db2.gz YHIUNSNITVKIGN-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357030922 386695140 /nfs/dbraw/zinc/69/51/40/386695140.db2.gz YHIUNSNITVKIGN-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H](NCC1CCCCCC1)c1ncn(C)n1 ZINC000391932531 386696786 /nfs/dbraw/zinc/69/67/86/386696786.db2.gz MPRXLZBMIBGIJX-NSHDSACASA-N 0 1 236.363 2.436 20 0 BEADMN C[C@@H]1[C@H](C)[N@@H+](CCOc2ccccc2)CCN1C ZINC000357032520 386697401 /nfs/dbraw/zinc/69/74/01/386697401.db2.gz GPMYHUSUOPMKNG-KGLIPLIRSA-N 0 1 248.370 2.090 20 0 BEADMN CC(C)[C@H]1CC[C@H](C(=O)NCc2cnc[nH]2)CC1 ZINC000330389207 386698239 /nfs/dbraw/zinc/69/82/39/386698239.db2.gz DPQZZMOAPUOBMZ-HAQNSBGRSA-N 0 1 249.358 2.488 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000520606904 386703815 /nfs/dbraw/zinc/70/38/15/386703815.db2.gz WDSNXNSKTIXXMF-NTZNESFSSA-N 0 1 249.358 2.235 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000268854560 386707283 /nfs/dbraw/zinc/70/72/83/386707283.db2.gz CRIFGHXGJTWVGP-RYUDHWBXSA-N 0 1 247.342 2.156 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599804 386731302 /nfs/dbraw/zinc/73/13/02/386731302.db2.gz QIODVIUOPVKGGK-STQMWFEESA-N 0 1 233.311 2.339 20 0 BEADMN CN(Cc1ccnn1-c1ccccc1)C1CC1 ZINC000279775928 386733954 /nfs/dbraw/zinc/73/39/54/386733954.db2.gz GYJGIWAVFHOQCN-UHFFFAOYSA-N 0 1 227.311 2.467 20 0 BEADMN CCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269023612 386737689 /nfs/dbraw/zinc/73/76/89/386737689.db2.gz VLGDYKPTDNZEDL-JTQLQIEISA-N 0 1 221.304 2.094 20 0 BEADMN Cc1cn[nH]c1C[NH2+]C1(c2ccccc2)CC1 ZINC000352853245 386738328 /nfs/dbraw/zinc/73/83/28/386738328.db2.gz MLMKTEKXGOGBLH-UHFFFAOYSA-N 0 1 227.311 2.497 20 0 BEADMN O=C(CC1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269013016 386738939 /nfs/dbraw/zinc/73/89/39/386738939.db2.gz STUXMUASJDMVIK-LLVKDONJSA-N 0 1 233.315 2.094 20 0 BEADMN CC[C@H](NC1(C(F)F)CC1)[C@@H]1CCOC1 ZINC000336760600 386739499 /nfs/dbraw/zinc/73/94/99/386739499.db2.gz LWTWKZLWUPXVBI-BDAKNGLRSA-N 0 1 219.275 2.189 20 0 BEADMN O=C(CC1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000269013018 386739444 /nfs/dbraw/zinc/73/94/44/386739444.db2.gz STUXMUASJDMVIK-NSHDSACASA-N 0 1 233.315 2.094 20 0 BEADMN Cc1csc(CN[C@H]2CCCc3cn[nH]c32)n1 ZINC000268883760 386714514 /nfs/dbraw/zinc/71/45/14/386714514.db2.gz YJWDXIFFCVWDDO-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@H](C)C1 ZINC000526992595 386720908 /nfs/dbraw/zinc/72/09/08/386720908.db2.gz IRVYGOWXNOLLEP-QJPTWQEYSA-N 0 1 227.348 2.306 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000353744311 386722571 /nfs/dbraw/zinc/72/25/71/386722571.db2.gz ZVLKHNKEOCHDED-STQMWFEESA-N 0 1 242.326 2.040 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000520672256 386723313 /nfs/dbraw/zinc/72/33/13/386723313.db2.gz MTQSTUPGJXBJRO-UHTWSYAYSA-N 0 1 239.359 2.472 20 0 BEADMN CC(C)[C@@H](O)CN(C)Cc1ccc(F)cc1F ZINC000292790366 386727379 /nfs/dbraw/zinc/72/73/79/386727379.db2.gz ZRTIYEBDWZIAKI-ZDUSSCGKSA-N 0 1 243.297 2.414 20 0 BEADMN CCOc1cccc([C@H](C)NCC(C)=O)c1 ZINC000639560048 386729936 /nfs/dbraw/zinc/72/99/36/386729936.db2.gz AEMSYVLVLWXRDZ-NSHDSACASA-N 0 1 221.300 2.325 20 0 BEADMN CC(C)[C@H](C)N(C)c1nc(N)nc2c1CCCC2 ZINC000645138603 386747815 /nfs/dbraw/zinc/74/78/15/386747815.db2.gz XKNMBCBHHRXPOL-JTQLQIEISA-N 0 1 248.374 2.249 20 0 BEADMN C[C@@H](NCc1cccs1)c1ccnn1C ZINC000192246738 386749291 /nfs/dbraw/zinc/74/92/91/386749291.db2.gz YMSHZQYEOMSHQU-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN Cc1nc(CN2CCc3cc(Cl)ccc32)n[nH]1 ZINC000292958182 386755052 /nfs/dbraw/zinc/75/50/52/386755052.db2.gz VTSIRKUWGJXAJN-UHFFFAOYSA-N 0 1 248.717 2.329 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1[nH]nc2ccccc21 ZINC000269160070 386758144 /nfs/dbraw/zinc/75/81/44/386758144.db2.gz XHBVQEFHGDCAPW-SECBINFHSA-N 0 1 247.298 2.365 20 0 BEADMN Cc1ncc(CN(C)CCC2(O)CCC2)s1 ZINC000396446822 386760877 /nfs/dbraw/zinc/76/08/77/386760877.db2.gz QFDXZRYFIDZVTN-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN C[C@@H](C(N)=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000330504650 386762193 /nfs/dbraw/zinc/76/21/93/386762193.db2.gz IIQLWUSWEYIWJT-CMPLNLGQSA-N 0 1 233.315 2.097 20 0 BEADMN Cc1ccncc1CN1CCC[C@@H]1CF ZINC000293020910 386763850 /nfs/dbraw/zinc/76/38/50/386763850.db2.gz KNHGZYSAKZXTPD-GFCCVEGCSA-N 0 1 208.280 2.324 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)CC2)ncn1 ZINC000293001681 386764496 /nfs/dbraw/zinc/76/44/96/386764496.db2.gz ZEFGYLPAFRUXAP-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1nc(CN2CC3(CC3)c3ccccc32)n[nH]1 ZINC000293285894 386795617 /nfs/dbraw/zinc/79/56/17/386795617.db2.gz UCEXLNQUMYSBHF-UHFFFAOYSA-N 0 1 240.310 2.165 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]2C)n1 ZINC000336761588 386772594 /nfs/dbraw/zinc/77/25/94/386772594.db2.gz NNOSMOHHBQCFSD-WEDXCCLWSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@H](NC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000357380538 386772674 /nfs/dbraw/zinc/77/26/74/386772674.db2.gz YQMSTXYTEIUBOM-NSHDSACASA-N 0 1 249.358 2.453 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@](C)(N)c2ccccc2)[C@H]1C ZINC000192507185 386778039 /nfs/dbraw/zinc/77/80/39/386778039.db2.gz WPNBCLPCIUXSAC-TYNCELHUSA-N 0 1 246.354 2.117 20 0 BEADMN CCc1ccc(CN2CC3(C2)CCOCC3)o1 ZINC000334639822 386780949 /nfs/dbraw/zinc/78/09/49/386780949.db2.gz OJMQPHRLIMFJQR-UHFFFAOYSA-N 0 1 235.327 2.454 20 0 BEADMN COCc1noc([C@H](C)N2CC[C@H](C)[C@@H]2C)n1 ZINC000248467457 386783915 /nfs/dbraw/zinc/78/39/15/386783915.db2.gz STTJLLHTTZZMJS-GUBZILKMSA-N 0 1 239.319 2.007 20 0 BEADMN CN(CCC(C)(C)O)Cc1nc2ccccc2o1 ZINC000269351256 386783920 /nfs/dbraw/zinc/78/39/20/386783920.db2.gz ZVPDOQHRYSIRRL-UHFFFAOYSA-N 0 1 248.326 2.421 20 0 BEADMN O=C(NCc1ccc2cncn2c1)C1=CCCC1 ZINC000334759546 386816706 /nfs/dbraw/zinc/81/67/06/386816706.db2.gz RFXFBXFPCUNXMD-UHFFFAOYSA-N 0 1 241.294 2.061 20 0 BEADMN CSc1ccc([C@H](C)NCc2c[nH]nn2)cc1 ZINC000398422109 386820131 /nfs/dbraw/zinc/82/01/31/386820131.db2.gz ZAAHVNMLLYNSIC-VIFPVBQESA-N 0 1 248.355 2.377 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@@H](C)C(C)C)n[nH]1 ZINC000027185661 386803772 /nfs/dbraw/zinc/80/37/72/386803772.db2.gz WFLSOFJDXOZHPE-JTQLQIEISA-N 0 1 237.347 2.479 20 0 BEADMN CCc1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1 ZINC000344860756 386804174 /nfs/dbraw/zinc/80/41/74/386804174.db2.gz DNBVNWZCWBGHLR-KBPBESRZSA-N 0 1 237.318 2.154 20 0 BEADMN CCn1nncc1CNCc1ccc(C)c(F)c1 ZINC000417848352 386806139 /nfs/dbraw/zinc/80/61/39/386806139.db2.gz BIPIDMSTTUKDJQ-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2C[C@H](C)[C@@H]2C)o1 ZINC000293344267 386807019 /nfs/dbraw/zinc/80/70/19/386807019.db2.gz HILWJMXIEQPAHZ-GUBZILKMSA-N 0 1 237.299 2.467 20 0 BEADMN CCC1(C)CN(Cc2c(C)nn(C)c2C)C1 ZINC000334790374 386853060 /nfs/dbraw/zinc/85/30/60/386853060.db2.gz UDZQHUQXGXZNBO-UHFFFAOYSA-N 0 1 221.348 2.269 20 0 BEADMN CC[C@@H]1CCN(Cc2cnns2)[C@@H]1C ZINC001645350801 1172655858 /nfs/dbraw/zinc/65/58/58/1172655858.db2.gz AJEQSUQLBVEHTK-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN CCCC[C@@H](COC)NCc1ncc(C)n1C ZINC000341047953 386827902 /nfs/dbraw/zinc/82/79/02/386827902.db2.gz RKAGCDAGJAELLL-LBPRGKRZSA-N 0 1 239.363 2.023 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CCC(C)CC1 ZINC000357725258 386834475 /nfs/dbraw/zinc/83/44/75/386834475.db2.gz DVGPXMBOBKVGKV-MOENNCHZSA-N 0 1 227.348 2.306 20 0 BEADMN CCc1ccc(CN2CC[C@@H]2COC)o1 ZINC000293577938 386842071 /nfs/dbraw/zinc/84/20/71/386842071.db2.gz HNVAPOOLLUSLML-SNVBAGLBSA-N 0 1 209.289 2.063 20 0 BEADMN Cc1nnc(CNCCc2ccc(C)cc2)s1 ZINC000638970923 386842316 /nfs/dbraw/zinc/84/23/16/386842316.db2.gz NPWKZBXEQKIIRI-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN C[C@@H]1C[C@H](C)N(c2nc(N)nc3c2CCCC3)C1 ZINC000645180359 386844409 /nfs/dbraw/zinc/84/44/09/386844409.db2.gz FOLCGHQXCOKRCR-ZJUUUORDSA-N 0 1 246.358 2.003 20 0 BEADMN CCC1CN(Cc2cncn2C(C)C)C1 ZINC000425341866 386845061 /nfs/dbraw/zinc/84/50/61/386845061.db2.gz FFAHIFKXFLXQTH-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN CCCN(CC)c1nc(N)nc2c1CCCC2 ZINC000645184908 386847768 /nfs/dbraw/zinc/84/77/68/386847768.db2.gz TVYCHCONMFMJMS-UHFFFAOYSA-N 0 1 234.347 2.004 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOC3)cc1F ZINC000293872815 386893206 /nfs/dbraw/zinc/89/32/06/386893206.db2.gz CPVPPALZBBHKTR-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN1CC(O)(C(F)F)C1 ZINC000425344146 386855667 /nfs/dbraw/zinc/85/56/67/386855667.db2.gz BNCOVEKZZRUBLV-MNOVXSKESA-N 0 1 245.313 2.291 20 0 BEADMN COc1ncncc1CN1CCCCC[C@@H]1C ZINC000648008372 386857229 /nfs/dbraw/zinc/85/72/29/386857229.db2.gz FJFPZWOCWJQRRC-NSHDSACASA-N 0 1 235.331 2.250 20 0 BEADMN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccon1 ZINC000352881950 386857769 /nfs/dbraw/zinc/85/77/69/386857769.db2.gz GDMAOWAXTNJSIC-AAEUAGOBSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@H]1CN(CC2CCCCC2)C[C@H](C)S1=O ZINC000335743289 386861285 /nfs/dbraw/zinc/86/12/85/386861285.db2.gz CXQRKCHZDZQTIO-RYUDHWBXSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H](O)CCN1CCc2[nH]c3ccccc3c2C1 ZINC000334794462 386862167 /nfs/dbraw/zinc/86/21/67/386862167.db2.gz YWGMQAOUINRTAN-LLVKDONJSA-N 0 1 244.338 2.297 20 0 BEADMN C[C@@H]1CCCN(Cc2cnns2)CC1 ZINC000334794475 386862912 /nfs/dbraw/zinc/86/29/12/386862912.db2.gz YZCMAGZDJAOWLN-SECBINFHSA-N 0 1 211.334 2.160 20 0 BEADMN COc1ccnc(CNCCC(C)(C)C)n1 ZINC000425349630 386865248 /nfs/dbraw/zinc/86/52/48/386865248.db2.gz GUYUHLCBEHHDGT-UHFFFAOYSA-N 0 1 223.320 2.011 20 0 BEADMN Cn1nccc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000335748999 386873300 /nfs/dbraw/zinc/87/33/00/386873300.db2.gz YYFSGJGSTZFPCE-OLZOCXBDSA-N 0 1 233.359 2.431 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCOC[C@@H](C)C1 ZINC000335749123 386873596 /nfs/dbraw/zinc/87/35/96/386873596.db2.gz QZRSZLPNMYBAED-RYUDHWBXSA-N 0 1 220.316 2.111 20 0 BEADMN Cc1nnc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1 ZINC000335749220 386873701 /nfs/dbraw/zinc/87/37/01/386873701.db2.gz CZNNYVBSJFVJMJ-QWRGUYRKSA-N 0 1 234.347 2.124 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1 ZINC000335749220 386873705 /nfs/dbraw/zinc/87/37/05/386873705.db2.gz CZNNYVBSJFVJMJ-QWRGUYRKSA-N 0 1 234.347 2.124 20 0 BEADMN Cc1cnc(CN2CCC[C@@]2(C)CCCO)o1 ZINC000352885670 386879623 /nfs/dbraw/zinc/87/96/23/386879623.db2.gz OSOOAIGBHDWJCI-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN NC1(c2noc([C@H](F)c3ccccc3)n2)CCC1 ZINC000334839238 386882238 /nfs/dbraw/zinc/88/22/38/386882238.db2.gz ZVEZCOBAZBKCNJ-SNVBAGLBSA-N 0 1 247.273 2.466 20 0 BEADMN CC1(F)CC(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000334839669 386882795 /nfs/dbraw/zinc/88/27/95/386882795.db2.gz ACYSAEWNIODKRJ-UHFFFAOYSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1cc(NC(=O)[C@H]2CCCN2C)cc(C)c1O ZINC000335756645 386884117 /nfs/dbraw/zinc/88/41/17/386884117.db2.gz WEGRLRKAHGDEBU-GFCCVEGCSA-N 0 1 248.326 2.042 20 0 BEADMN Cc1ccc(CN2CCS[C@H](C)[C@H]2C)nn1 ZINC000334841115 386886524 /nfs/dbraw/zinc/88/65/24/386886524.db2.gz MTGKIFOTNSYSMP-GHMZBOCLSA-N 0 1 237.372 2.111 20 0 BEADMN CC[C@H]1CCN(CC(=O)OCC(C)C)[C@H]1C ZINC001645351275 1172657127 /nfs/dbraw/zinc/65/71/27/1172657127.db2.gz GTWAJKPCRMTQQD-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN NC1(c2noc([C@H]3C[C@@H]3C3CC3)n2)CCCC1 ZINC000334861702 386916162 /nfs/dbraw/zinc/91/61/62/386916162.db2.gz FWOWOBZOAQZIMC-ZJUUUORDSA-N 0 1 233.315 2.311 20 0 BEADMN C[C@@H](C(=O)NOCC1CC1)c1cccs1 ZINC000293886232 386896101 /nfs/dbraw/zinc/89/61/01/386896101.db2.gz YFUAFSJXUYVROB-MRVPVSSYSA-N 0 1 225.313 2.309 20 0 BEADMN NC1(c2noc(C[C@@H]3C=CCCC3)n2)CCC1 ZINC000334853767 386904937 /nfs/dbraw/zinc/90/49/37/386904937.db2.gz OFXHPMWTMLOEDM-SNVBAGLBSA-N 0 1 233.315 2.306 20 0 BEADMN CC1=C(c2nc(C3(N)CCC3)no2)CCC1 ZINC000334853078 386905011 /nfs/dbraw/zinc/90/50/11/386905011.db2.gz KULKYJJOIMGVDX-UHFFFAOYSA-N 0 1 219.288 2.365 20 0 BEADMN NC1(c2noc([C@@H]3CCC(F)(F)C3)n2)CCC1 ZINC000334855691 386906284 /nfs/dbraw/zinc/90/62/84/386906284.db2.gz ZZMWOUHYIRWGDI-SSDOTTSWSA-N 0 1 243.257 2.310 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]1CF ZINC000293939579 386907263 /nfs/dbraw/zinc/90/72/63/386907263.db2.gz COBUJJTZQALDFT-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H]1CF ZINC000293939585 386907284 /nfs/dbraw/zinc/90/72/84/386907284.db2.gz COBUJJTZQALDFT-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN NC1(c2noc(C3=CCCCC3)n2)CCC1 ZINC000334854816 386907317 /nfs/dbraw/zinc/90/73/17/386907317.db2.gz UESHLGRCYCSYLF-UHFFFAOYSA-N 0 1 219.288 2.365 20 0 BEADMN Cc1ccc(CN2CCSC[C@H]2C2CC2)nn1 ZINC000334855370 386907747 /nfs/dbraw/zinc/90/77/47/386907747.db2.gz WMJPHXUDPNCTNH-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN CC(C)C1(CNc2ccncc2C(N)=O)CC1 ZINC000302165879 386908555 /nfs/dbraw/zinc/90/85/55/386908555.db2.gz REKRGYOCWFVCFE-UHFFFAOYSA-N 0 1 233.315 2.029 20 0 BEADMN Cc1cncc(NC[C@H](c2ccco2)N(C)C)n1 ZINC000302154366 386908764 /nfs/dbraw/zinc/90/87/64/386908764.db2.gz MMPXGNHFJVPELA-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1C ZINC000335768591 386911446 /nfs/dbraw/zinc/91/14/46/386911446.db2.gz AHYSVUSUNXIKTL-DTORHVGOSA-N 0 1 233.315 2.015 20 0 BEADMN CC[C@@H]1CCCN(Cc2cncnc2OC)CC1 ZINC000648009554 386926081 /nfs/dbraw/zinc/92/60/81/386926081.db2.gz MMEFACHAGSPJSA-GFCCVEGCSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1occc1C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000334868882 386927521 /nfs/dbraw/zinc/92/75/21/386927521.db2.gz STPTTZQAYUOLEG-QWRGUYRKSA-N 0 1 222.332 2.112 20 0 BEADMN C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC(C)(C)C ZINC000334869169 386929091 /nfs/dbraw/zinc/92/90/91/386929091.db2.gz ZXYCFTFSSZTECM-JTQLQIEISA-N 0 1 226.364 2.164 20 0 BEADMN Cc1ccc(CN2CCCC3(CC3)C2)nn1 ZINC000334868612 386929411 /nfs/dbraw/zinc/92/94/11/386929411.db2.gz RCJBJXKGIABCJZ-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN CCCCCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352895808 386939377 /nfs/dbraw/zinc/93/93/77/386939377.db2.gz YHZQIBGPOIEZLU-ZOWXZIJZSA-N 0 1 231.405 2.408 20 0 BEADMN Cc1cc(C)cc(CN2CC[C@](F)(CO)C2)c1 ZINC000334816252 386942728 /nfs/dbraw/zinc/94/27/28/386942728.db2.gz ORFYVPHMDSWWDI-CQSZACIVSA-N 0 1 237.318 2.210 20 0 BEADMN CCC1(CNC(=O)CN(C)C)CCCCC1 ZINC000358449964 386957983 /nfs/dbraw/zinc/95/79/83/386957983.db2.gz GCEMBBQYOVISRG-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN COC(=O)c1cnc([C@@H](C)NCC(C)C)s1 ZINC000314720806 386959666 /nfs/dbraw/zinc/95/96/66/386959666.db2.gz UPXVXBOKKJTSIO-MRVPVSSYSA-N 0 1 242.344 2.236 20 0 BEADMN O=C([O-])CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000019489224 386963856 /nfs/dbraw/zinc/96/38/56/386963856.db2.gz DZWITQVBNUNXOK-UHFFFAOYSA-N 0 1 236.658 2.385 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC23CCC3)n1 ZINC000334890753 386963931 /nfs/dbraw/zinc/96/39/31/386963931.db2.gz XHARBXDMHVHRLE-NSHDSACASA-N 0 1 239.750 2.496 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC[C@H]1C1CC1 ZINC000334894485 386967520 /nfs/dbraw/zinc/96/75/20/386967520.db2.gz YRZDVGGLBWVSJD-LBPRGKRZSA-N 0 1 241.294 2.187 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)N1CCNC[C@@H]1C ZINC000126139354 386976824 /nfs/dbraw/zinc/97/68/24/386976824.db2.gz NRIYSDBBHVXVQX-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000334908567 386982167 /nfs/dbraw/zinc/98/21/67/386982167.db2.gz FPNQETPZTGKLDR-UHFFFAOYSA-N 0 1 249.289 2.109 20 0 BEADMN Cc1c[nH]nc1CN[C@@H](C)CC(F)(F)F ZINC000336745484 386986923 /nfs/dbraw/zinc/98/69/23/386986923.db2.gz BDIMUYUSOZLGCU-ZETCQYMHSA-N 0 1 221.226 2.149 20 0 BEADMN CC[C@@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334914236 386988236 /nfs/dbraw/zinc/98/82/36/386988236.db2.gz YRXAMQZIEZMPCI-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000334914236 386988240 /nfs/dbraw/zinc/98/82/40/386988240.db2.gz YRXAMQZIEZMPCI-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1ccnc(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000334915012 386988866 /nfs/dbraw/zinc/98/88/66/386988866.db2.gz DCDNZOAIAZVYQB-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000334915009 386989055 /nfs/dbraw/zinc/98/90/55/386989055.db2.gz DCDNZOAIAZVYQB-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@H]1CCOC1 ZINC000368585409 386989572 /nfs/dbraw/zinc/98/95/72/386989572.db2.gz QSVSRHWPCDDUFE-FWDPORAESA-N 0 1 237.274 2.026 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358712634 387000398 /nfs/dbraw/zinc/00/03/98/387000398.db2.gz IVRMYBOYCSMQIB-YNEHKIRRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@@H](C)CCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358711435 387001552 /nfs/dbraw/zinc/00/15/52/387001552.db2.gz HDALOTCETXDNJD-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCn1cncc1CN1CC2(C1)CCCC2 ZINC000334932823 387008915 /nfs/dbraw/zinc/00/89/15/387008915.db2.gz YZBGPUILNPXKCG-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN Cc1cnc(CNCC2(C(F)(F)F)CC2)n1C ZINC000353034853 387005467 /nfs/dbraw/zinc/00/54/67/387005467.db2.gz NEPCRICNDHXJIJ-UHFFFAOYSA-N 0 1 247.264 2.161 20 0 BEADMN CCCCCCN1CC[S@](=O)C[C@@H](C)C1 ZINC000369337391 387038770 /nfs/dbraw/zinc/03/87/70/387038770.db2.gz CAGDQSKSWVVTEU-WFASDCNBSA-N 0 1 231.405 2.267 20 0 BEADMN COc1ncncc1CN1CC2(CCC2)C[C@@H]1C ZINC000648028934 387044105 /nfs/dbraw/zinc/04/41/05/387044105.db2.gz MUKHFUSVGFAKFB-NSHDSACASA-N 0 1 247.342 2.250 20 0 BEADMN CC(C)c1cc(CN[C@H]2C[C@@H](C)O[C@H]2C)on1 ZINC000648452079 387045637 /nfs/dbraw/zinc/04/56/37/387045637.db2.gz FBULLWJTMBHHGC-NRUUGDAUSA-N 0 1 238.331 2.454 20 0 BEADMN Cc1ccc(-c2nn(C)cc2CN2CC(C)C2)o1 ZINC000648030321 387048075 /nfs/dbraw/zinc/04/80/75/387048075.db2.gz SKLRJQURXBELEB-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CC=CCC1 ZINC000333796833 387057075 /nfs/dbraw/zinc/05/70/75/387057075.db2.gz YWPCRVPKBQWAME-AWEZNQCLSA-N 0 1 245.326 2.127 20 0 BEADMN c1c2cccnc2oc1CN1CCSCC1 ZINC000336228470 387067278 /nfs/dbraw/zinc/06/72/78/387067278.db2.gz UCBVSOWWVHAWJU-UHFFFAOYSA-N 0 1 234.324 2.377 20 0 BEADMN F[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000336222676 387061782 /nfs/dbraw/zinc/06/17/82/387061782.db2.gz BBKBISHNUXKNDI-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)nc1 ZINC000336224870 387065364 /nfs/dbraw/zinc/06/53/64/387065364.db2.gz JZJBJRQNBQCJGY-HNNXBMFYSA-N 0 1 246.354 2.393 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341969266 387009738 /nfs/dbraw/zinc/00/97/38/387009738.db2.gz BPVIUAQHPRMFTG-NWDGAFQWSA-N 0 1 215.312 2.237 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341969272 387010131 /nfs/dbraw/zinc/01/01/31/387010131.db2.gz BPVIUAQHPRMFTG-VXGBXAGGSA-N 0 1 215.312 2.237 20 0 BEADMN COc1cccnc1CN[C@H]1CC[C@@H]1SC ZINC000425374878 387013914 /nfs/dbraw/zinc/01/39/14/387013914.db2.gz XYDKWTDSSSWVLY-CABZTGNLSA-N 0 1 238.356 2.074 20 0 BEADMN C/C(Cl)=C/CN1CC[C@H](c2cnn(C)c2)C1 ZINC000528378686 387016055 /nfs/dbraw/zinc/01/60/55/387016055.db2.gz BALZGFKFCIZJIL-CGXZDELUSA-N 0 1 239.750 2.352 20 0 BEADMN ClC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369034326 387026635 /nfs/dbraw/zinc/02/66/35/387026635.db2.gz ZMQYJNGABQVGJF-TZOMUSMUSA-N 0 1 248.717 2.236 20 0 BEADMN C[C@@H](NC1CC(C)(F)C1)c1cc2n(n1)CCC2 ZINC000334884289 387027363 /nfs/dbraw/zinc/02/73/63/387027363.db2.gz VDWDNVMOQIOAGL-TTXORMCVSA-N 0 1 237.322 2.371 20 0 BEADMN Cc1cnc(C(=O)Nc2ccccc2F)c(O)c1 ZINC000358892621 387029277 /nfs/dbraw/zinc/02/92/77/387029277.db2.gz BEAKPTAGHZRQFH-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000111254216 387071429 /nfs/dbraw/zinc/07/14/29/387071429.db2.gz OWEIJYGOBPWXEV-DGCLKSJQSA-N 0 1 233.311 2.148 20 0 BEADMN Cn1nncc1CN1CC(C)(C)CC(C)(C)C1 ZINC000334987496 387075970 /nfs/dbraw/zinc/07/59/70/387075970.db2.gz AEVAGPRJCSBXBU-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@H](C)O)oc1C ZINC000228144623 387079934 /nfs/dbraw/zinc/07/99/34/387079934.db2.gz WGDLRVJEUZNGFP-CABZTGNLSA-N 0 1 238.331 2.027 20 0 BEADMN OC[C@@H](CC1CCCCC1)NCc1cocn1 ZINC000418121916 387081446 /nfs/dbraw/zinc/08/14/46/387081446.db2.gz DDFDEYCGSIJYGR-GFCCVEGCSA-N 0 1 238.331 2.096 20 0 BEADMN CS[C@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000336260069 387094962 /nfs/dbraw/zinc/09/49/62/387094962.db2.gz SFJIUDIWEMTQGZ-UWVGGRQHSA-N 0 1 226.345 2.481 20 0 BEADMN C[C@H](CN1CCN(C)C(=O)[C@@H]1C)CC(C)(C)C ZINC001645358104 1172659234 /nfs/dbraw/zinc/65/92/34/1172659234.db2.gz FNKWCDYEEDIFLL-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCCN1CC[S@@](=O)CC[C@@H]1C ZINC000370204086 387098123 /nfs/dbraw/zinc/09/81/23/387098123.db2.gz MRAGSKNGDWURHV-FZMZJTMJSA-N 0 1 217.378 2.020 20 0 BEADMN CC(C)C[C@H]1OCCC[C@H]1NCc1ccon1 ZINC000186373994 387099384 /nfs/dbraw/zinc/09/93/84/387099384.db2.gz ODWHTHIBAXYRSZ-CHWSQXEVSA-N 0 1 238.331 2.358 20 0 BEADMN CCn1cncc1CN1CC(C(C)(C)C)C1 ZINC000418093967 387101006 /nfs/dbraw/zinc/10/10/06/387101006.db2.gz TVRWTXMPGOLVTN-UHFFFAOYSA-N 0 1 221.348 2.381 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnccc2N)C[C@@H](C)C1 ZINC000335010264 387105279 /nfs/dbraw/zinc/10/52/79/387105279.db2.gz NGCHNYQXMMRVDO-MNOVXSKESA-N 0 1 247.342 2.002 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@H](O)[C@@H](C)C2)c1 ZINC000336272875 387105910 /nfs/dbraw/zinc/10/59/10/387105910.db2.gz HFIVDISDMNKRAZ-NHYWBVRUSA-N 0 1 247.338 2.092 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000336273040 387107445 /nfs/dbraw/zinc/10/74/45/387107445.db2.gz TUUWVULZWXEKAP-NHYWBVRUSA-N 0 1 247.338 2.092 20 0 BEADMN Cc1noc(CN(CC2CCC2)C(C)C)n1 ZINC000352365338 387112768 /nfs/dbraw/zinc/11/27/68/387112768.db2.gz QMBAGVGRJPCHFB-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN COCCCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000228704932 387112907 /nfs/dbraw/zinc/11/29/07/387112907.db2.gz OZPFJRBUQMWKAX-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN c1nn2ccccc2c1CNCc1cccnc1 ZINC000071372730 387120703 /nfs/dbraw/zinc/12/07/03/387120703.db2.gz XOTZBILCZATFDE-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnccc2N)CC1(C)C ZINC000335027171 387120693 /nfs/dbraw/zinc/12/06/93/387120693.db2.gz CUCBLKNVJBFDKM-JTQLQIEISA-N 0 1 247.342 2.002 20 0 BEADMN C[C@@H]1CCCCN(C(=O)c2coc(CN)c2)C1 ZINC000335029691 387124477 /nfs/dbraw/zinc/12/44/77/387124477.db2.gz PPDXESARCSTPCS-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN CC1(C)C[C@@H](NCc2cnc(C3CC3)o2)CO1 ZINC000418119421 387068189 /nfs/dbraw/zinc/06/81/89/387068189.db2.gz UXKUPUMYPIILKP-SNVBAGLBSA-N 0 1 236.315 2.209 20 0 BEADMN CCCc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000186809994 387141904 /nfs/dbraw/zinc/14/19/04/387141904.db2.gz XDAIBLZVDCIXPS-CQSZACIVSA-N 0 1 246.354 2.089 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H]1C1CC1 ZINC000370756339 387142625 /nfs/dbraw/zinc/14/26/25/387142625.db2.gz DMYHXHLGRBONAH-ZDUSSCGKSA-N 0 1 245.326 2.302 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H]2CCC[C@H]21 ZINC000336319274 387143185 /nfs/dbraw/zinc/14/31/85/387143185.db2.gz BOKPAVLREFQGMK-ZWNOBZJWSA-N 0 1 245.326 2.302 20 0 BEADMN Cc1ccc(C(C)(C)NCc2c[nH]cn2)cn1 ZINC000353184907 387149826 /nfs/dbraw/zinc/14/98/26/387149826.db2.gz PYGXBSNIYPGMQI-UHFFFAOYSA-N 0 1 230.315 2.138 20 0 BEADMN CCN(CCCF)CC(=O)N1CCCCCC1 ZINC000353180547 387151455 /nfs/dbraw/zinc/15/14/55/387151455.db2.gz KHWMXJUZPZXBER-UHFFFAOYSA-N 0 1 244.354 2.071 20 0 BEADMN Cc1cnn(CC[N@@H+]2CCS[C@H](C)[C@@H]2C)c1 ZINC000336324825 387151872 /nfs/dbraw/zinc/15/18/72/387151872.db2.gz RJPREWPNCFHXCD-NWDGAFQWSA-N 0 1 239.388 2.017 20 0 BEADMN C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCC[C@H]1O ZINC000336324236 387152751 /nfs/dbraw/zinc/15/27/51/387152751.db2.gz VJBTZNMEMJBAMQ-VXGBXAGGSA-N 0 1 246.310 2.173 20 0 BEADMN CN(Cc1nc2ccccc2o1)[C@@H]1CCC[C@H]1O ZINC000336324236 387152753 /nfs/dbraw/zinc/15/27/53/387152753.db2.gz VJBTZNMEMJBAMQ-VXGBXAGGSA-N 0 1 246.310 2.173 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336325306 387152782 /nfs/dbraw/zinc/15/27/82/387152782.db2.gz QSHARSLQHHFAFI-ZFWWWQNUSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1ccc(CN(C)CCn2cccn2)c(C)n1 ZINC000187019421 387153304 /nfs/dbraw/zinc/15/33/04/387153304.db2.gz SAKKAQKKYBCCOQ-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN Cc1nocc1CN1CCC[C@H](n2cccn2)C1 ZINC000336325441 387154081 /nfs/dbraw/zinc/15/40/81/387154081.db2.gz HWXICWPZERSBSH-ZDUSSCGKSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@H](C)CNCc1nn(C)cc1Cl ZINC000393307235 387154417 /nfs/dbraw/zinc/15/44/17/387154417.db2.gz ZPVVGOCUVFMJTB-QMMMGPOBSA-N 0 1 215.728 2.209 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCCC2(CC2)C1 ZINC000186969418 387155782 /nfs/dbraw/zinc/15/57/82/387155782.db2.gz WUOMLXXOBOGZET-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)C1CCC1 ZINC000393328272 387159098 /nfs/dbraw/zinc/15/90/98/387159098.db2.gz BAPXSGSFTCYYRP-MRVPVSSYSA-N 0 1 227.739 2.352 20 0 BEADMN Cn1ccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353219241 387159371 /nfs/dbraw/zinc/15/93/71/387159371.db2.gz AYJHKSBSCLCSMO-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN Cc1ccoc1CN1CCOCC2(CC2)C1 ZINC000336332605 387159599 /nfs/dbraw/zinc/15/95/99/387159599.db2.gz RVCIUYPZCBIRRC-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CC[C@@H](C)NCc1nn(C)cc1Br ZINC000393322843 387159990 /nfs/dbraw/zinc/15/99/90/387159990.db2.gz GGZLXWRUQLBGIL-SSDOTTSWSA-N 0 1 246.152 2.071 20 0 BEADMN Fc1ccc(Cl)cc1SCc1nn[nH]n1 ZINC000336336186 387160264 /nfs/dbraw/zinc/16/02/64/387160264.db2.gz OJJUGSQIYYRRHU-UHFFFAOYSA-N 0 1 244.682 2.285 20 0 BEADMN Cc1cnc([C@@H](C)NC[C@H](O)C(C)C)s1 ZINC000292806776 387170688 /nfs/dbraw/zinc/17/06/88/387170688.db2.gz BWYHZWMBMFGBIF-ZJUUUORDSA-N 0 1 228.361 2.119 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000352415997 387171309 /nfs/dbraw/zinc/17/13/09/387171309.db2.gz QQVWEXBACIPXLR-NWDGAFQWSA-N 0 1 225.311 2.186 20 0 BEADMN CC[C@@H](C)NC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193204873 387179268 /nfs/dbraw/zinc/17/92/68/387179268.db2.gz XGWAVMWDJDAKDP-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](F)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000571888843 387193875 /nfs/dbraw/zinc/19/38/75/387193875.db2.gz UJWFODKHDBTRES-KXNHARMFSA-N 0 1 243.322 2.452 20 0 BEADMN Cc1n[nH]c(C(=O)NC23CCC(CC2)CC3)c1C ZINC000571856945 387186884 /nfs/dbraw/zinc/18/68/84/387186884.db2.gz SZLJGVLNQGOELP-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CC(C)n1cncc1CN[C@H](C)c1cn[nH]c1 ZINC000229637006 387189638 /nfs/dbraw/zinc/18/96/38/387189638.db2.gz LFVZPGHPFBJLFW-SNVBAGLBSA-N 0 1 233.319 2.038 20 0 BEADMN C[C@H](CN1CCN(C)C(=O)[C@H]1C)CC(C)(C)C ZINC001645358103 1172659735 /nfs/dbraw/zinc/65/97/35/1172659735.db2.gz FNKWCDYEEDIFLL-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cnc[nH]1 ZINC000336310540 387138198 /nfs/dbraw/zinc/13/81/98/387138198.db2.gz AXRZLYSWPKVWBW-IONNQARKSA-N 0 1 233.237 2.182 20 0 BEADMN CCCc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000186810017 387140462 /nfs/dbraw/zinc/14/04/62/387140462.db2.gz XDAIBLZVDCIXPS-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN CCN(Cc1cccc(O)c1Cl)C[C@H](C)O ZINC000353460275 387207123 /nfs/dbraw/zinc/20/71/23/387207123.db2.gz KQHKHIQNIWYJOJ-VIFPVBQESA-N 0 1 243.734 2.248 20 0 BEADMN CCCn1cc(CN2CC=C(COC)CC2)cn1 ZINC000187614427 387210104 /nfs/dbraw/zinc/21/01/04/387210104.db2.gz OAZGFDDVYHLQKW-UHFFFAOYSA-N 0 1 249.358 2.072 20 0 BEADMN CC(C)c1ncc(CN2CCC[C@H]2CO)s1 ZINC000092455599 387213737 /nfs/dbraw/zinc/21/37/37/387213737.db2.gz KFINXJDOMPDADV-JTQLQIEISA-N 0 1 240.372 2.223 20 0 BEADMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000572014933 387214876 /nfs/dbraw/zinc/21/48/76/387214876.db2.gz IYEOYANCBRPZEQ-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN Cc1nocc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000353511372 387217766 /nfs/dbraw/zinc/21/77/66/387217766.db2.gz BBXKMAQKZPEEQQ-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN c1nnc(SCCN2CCCCC2)s1 ZINC000120277874 387219374 /nfs/dbraw/zinc/21/93/74/387219374.db2.gz CEUATLGDNUIMMC-UHFFFAOYSA-N 0 1 229.374 2.116 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@H]1CC=CCC1 ZINC000353531853 387222896 /nfs/dbraw/zinc/22/28/96/387222896.db2.gz PPRUSGBSFSLYAX-NSHDSACASA-N 0 1 205.305 2.198 20 0 BEADMN Cc1ccc(F)c(CN2CCN(C)C[C@@H]2C)c1 ZINC000353584895 387235496 /nfs/dbraw/zinc/23/54/96/387235496.db2.gz MEZYSWCLOBEELK-LBPRGKRZSA-N 0 1 236.334 2.270 20 0 BEADMN Cc1ccnc([C@H](C)N[C@H](CO)CC(F)F)c1 ZINC000353588315 387235506 /nfs/dbraw/zinc/23/55/06/387235506.db2.gz LSDPCXFSHJLTDM-UWVGGRQHSA-N 0 1 244.285 2.057 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nnc(C)s1 ZINC000336413715 387242289 /nfs/dbraw/zinc/24/22/89/387242289.db2.gz OSOTWTVZZZEPDC-SCZZXKLOSA-N 0 1 225.361 2.467 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000285156994 387244018 /nfs/dbraw/zinc/24/40/18/387244018.db2.gz MKRQIXHKKFLZCZ-LPEHRKFASA-N 0 1 212.293 2.057 20 0 BEADMN CO[C@H](C)CN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000360214902 387245905 /nfs/dbraw/zinc/24/59/05/387245905.db2.gz YIXIVSWHTKQOLD-GUTXKFCHSA-N 0 1 249.354 2.483 20 0 BEADMN CC1(C)CCC[N@H+]1CCNCc1ccco1 ZINC000063074084 387248475 /nfs/dbraw/zinc/24/84/75/387248475.db2.gz UXTXTMRBPNZYJY-UHFFFAOYSA-N 0 1 222.332 2.244 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCC[C@@H](C)C1 ZINC000187975987 387249309 /nfs/dbraw/zinc/24/93/09/387249309.db2.gz UUZDPPCBFFNXAJ-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H]1[C@H](C)CCN1C(=O)CN(CC)C1CC1 ZINC000187466637 387196962 /nfs/dbraw/zinc/19/69/62/387196962.db2.gz YYJPPAXWZDLPPY-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCC[C@H]1CCCF ZINC000423346691 387198614 /nfs/dbraw/zinc/19/86/14/387198614.db2.gz PKEAFMHTWURUOP-VHSXEESVSA-N 0 1 238.297 2.088 20 0 BEADMN CCC(CC)[C@@H](O)CN[C@H](C)c1cc(C)on1 ZINC000353425410 387199595 /nfs/dbraw/zinc/19/95/95/387199595.db2.gz JPSMVNRWWUTEOW-MFKMUULPSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1nc(CN[C@H]2CCO[C@H]2C2CC2)cs1 ZINC000230316981 387261821 /nfs/dbraw/zinc/26/18/21/387261821.db2.gz FKKSVIZADVOSTA-RYUDHWBXSA-N 0 1 238.356 2.109 20 0 BEADMN CCC[C@@]1(NCc2nccs2)CCOC1 ZINC000285442163 387264851 /nfs/dbraw/zinc/26/48/51/387264851.db2.gz FUBWXSAWHMZNGU-LLVKDONJSA-N 0 1 226.345 2.192 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000353744306 387266661 /nfs/dbraw/zinc/26/66/61/387266661.db2.gz ZVLKHNKEOCHDED-CHWSQXEVSA-N 0 1 242.326 2.040 20 0 BEADMN CSCCN[C@H](C)c1c(F)cncc1F ZINC000285518152 387270367 /nfs/dbraw/zinc/27/03/67/387270367.db2.gz DTDJZUPSJOCGJC-SSDOTTSWSA-N 0 1 232.299 2.373 20 0 BEADMN Cc1occc1CNCc1cccc(CO)c1 ZINC000321530800 387271694 /nfs/dbraw/zinc/27/16/94/387271694.db2.gz PLEAMRIVTIDDGY-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000360362000 387271600 /nfs/dbraw/zinc/27/16/00/387271600.db2.gz GYMKKWDLMRNTEU-JLLWLGSASA-N 0 1 247.342 2.340 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000360372629 387273592 /nfs/dbraw/zinc/27/35/92/387273592.db2.gz ADKVNOFBPKOTCP-NDMJEZRESA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@@H](C)CC2(C)C)cn1 ZINC000336449869 387278585 /nfs/dbraw/zinc/27/85/85/387278585.db2.gz OFQMFJOWVDMACW-JTQLQIEISA-N 0 1 219.332 2.405 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285797193 387279248 /nfs/dbraw/zinc/27/92/48/387279248.db2.gz UGDPBBLDGUEFRU-JGVFFNPUSA-N 0 1 230.258 2.045 20 0 BEADMN CCc1ccc(C[N@H+]2CCN(C)CC[C@H]2C)o1 ZINC000336491913 387317967 /nfs/dbraw/zinc/31/79/67/387317967.db2.gz LVAXJXIFFAYTGN-GFCCVEGCSA-N 0 1 236.359 2.368 20 0 BEADMN Cc1nc(CN(C)Cc2cc(C)cc(C)c2)n[nH]1 ZINC000353882902 387289272 /nfs/dbraw/zinc/28/92/72/387289272.db2.gz RYDCJQKLSROUEU-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN CO[C@@H]1C[C@@H](N(C)Cc2ccno2)C12CCC2 ZINC000515293348 387357230 /nfs/dbraw/zinc/35/72/30/387357230.db2.gz QCNNBIROUNDZAT-VXGBXAGGSA-N 0 1 236.315 2.064 20 0 BEADMN Cc1ccnc(CN2CCCC[C@@H](C)C2)n1 ZINC000336544596 387365710 /nfs/dbraw/zinc/36/57/10/387365710.db2.gz XTBIGWPGOSMHQS-LLVKDONJSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1ccnc(C[N@H+]2C[C@H](C)CC[C@@H]2C)n1 ZINC000336555209 387377381 /nfs/dbraw/zinc/37/73/81/387377381.db2.gz BXVRHTDOVVKYLW-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000336555209 387377386 /nfs/dbraw/zinc/37/73/86/387377386.db2.gz BXVRHTDOVVKYLW-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cncc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC000515433998 387378921 /nfs/dbraw/zinc/37/89/21/387378921.db2.gz DWURCIOCBLEAFW-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1cc(CNCc2cccc(C)c2F)[nH]n1 ZINC000648458204 387334409 /nfs/dbraw/zinc/33/44/09/387334409.db2.gz KJNZBJDRADVQOZ-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN c1n[nH]cc1[C@H]1CCCN1Cc1ccncc1 ZINC000639781905 387336610 /nfs/dbraw/zinc/33/66/10/387336610.db2.gz RFBCYTYNXPNRIX-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000336515366 387339673 /nfs/dbraw/zinc/33/96/73/387339673.db2.gz MOQKYTIDFLRFKF-GXSJLCMTSA-N 0 1 222.336 2.124 20 0 BEADMN CC(C)CCCN1CC[S@@](=O)CC[C@@H]1C ZINC000373038815 387343304 /nfs/dbraw/zinc/34/33/04/387343304.db2.gz WUSZCHXLCZZUJY-WFASDCNBSA-N 0 1 231.405 2.266 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H](C)C[C@@H]1C ZINC000354220370 387346621 /nfs/dbraw/zinc/34/66/21/387346621.db2.gz FLHULLWAKKDCCA-UWVGGRQHSA-N 0 1 237.299 2.297 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H](C)C[C@H]1C ZINC000354220371 387346956 /nfs/dbraw/zinc/34/69/56/387346956.db2.gz FLHULLWAKKDCCA-VHSXEESVSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1noc(C)c1CNCCOC(C)(C)C ZINC000162365288 387347226 /nfs/dbraw/zinc/34/72/26/387347226.db2.gz XWAUGKKYZIPGDT-UHFFFAOYSA-N 0 1 226.320 2.196 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@H](C)C[C@@H]1C ZINC000354220384 387347942 /nfs/dbraw/zinc/34/79/42/387347942.db2.gz FLHULLWAKKDCCA-ZJUUUORDSA-N 0 1 237.299 2.297 20 0 BEADMN FC(F)c1ccnc(CNC2CCCC2)n1 ZINC000286956841 387349764 /nfs/dbraw/zinc/34/97/64/387349764.db2.gz HQSYXPXYCPQUBC-UHFFFAOYSA-N 0 1 227.258 2.446 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@@H](C)[C@@H](C)CC ZINC000423518714 387353456 /nfs/dbraw/zinc/35/34/56/387353456.db2.gz PGROSUIYQUUABR-RWMBFGLXSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](C)CN1CCN(CC(F)(F)F)CC1 ZINC000088491416 387429196 /nfs/dbraw/zinc/42/91/96/387429196.db2.gz IRMIUYHRWHVBIH-JTQLQIEISA-N 0 1 238.297 2.212 20 0 BEADMN C[C@@H]1C[C@H](CN(C)Cc2cscn2)CCO1 ZINC000352691437 387437382 /nfs/dbraw/zinc/43/73/82/387437382.db2.gz LWPALPZLUAOQCG-GHMZBOCLSA-N 0 1 240.372 2.390 20 0 BEADMN CCC[C@H]1CN(C[C@@H](O)CCC(C)C)CCO1 ZINC000361314185 387438679 /nfs/dbraw/zinc/43/86/79/387438679.db2.gz BXTOTBPVQNZRDU-KBPBESRZSA-N 0 1 243.391 2.284 20 0 BEADMN CCC[C@@H]1CN(C[C@H](O)CCC(C)C)CCO1 ZINC000361314188 387438716 /nfs/dbraw/zinc/43/87/16/387438716.db2.gz BXTOTBPVQNZRDU-ZIAGYGMSSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@]1(C)CN(C[C@H](O)CCC(C)C)CCO1 ZINC000361337027 387441173 /nfs/dbraw/zinc/44/11/73/387441173.db2.gz PLTRJOYHPBJYKC-ZIAGYGMSSA-N 0 1 243.391 2.284 20 0 BEADMN FC(F)(F)COCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000374302947 387441288 /nfs/dbraw/zinc/44/12/88/387441288.db2.gz RDBCFLFNXYNKLG-SNVBAGLBSA-N 0 1 237.265 2.297 20 0 BEADMN Cc1cc(C)n2c(CN3[C@H](C)C[C@H]3C)cnc2n1 ZINC000336608539 387451699 /nfs/dbraw/zinc/45/16/99/387451699.db2.gz IIDHGRITSLSUHQ-GHMZBOCLSA-N 0 1 244.342 2.329 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000336562406 387388567 /nfs/dbraw/zinc/38/85/67/387388567.db2.gz ZHMPFRQHLWOLMK-OLZOCXBDSA-N 0 1 249.358 2.108 20 0 BEADMN CCCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000082776909 387388633 /nfs/dbraw/zinc/38/86/33/387388633.db2.gz RKHSOTNHVPXLEE-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000336562407 387390309 /nfs/dbraw/zinc/39/03/09/387390309.db2.gz ZHMPFRQHLWOLMK-QWHCGFSZSA-N 0 1 249.358 2.108 20 0 BEADMN Cc1cc(C)nc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC000515621847 387403039 /nfs/dbraw/zinc/40/30/39/387403039.db2.gz GHAGAWFPYJMNGV-NSHDSACASA-N 0 1 243.314 2.306 20 0 BEADMN CCc1cccc(CNCc2ccnn2C)c1 ZINC000572412475 387417077 /nfs/dbraw/zinc/41/70/77/387417077.db2.gz JGINTBMEGFMYAJ-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CCSCCN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354709071 387418885 /nfs/dbraw/zinc/41/88/85/387418885.db2.gz PTSOBIURDVZKTF-QWHCGFSZSA-N 0 1 241.400 2.383 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2[C@H](C)O)oc1C ZINC000303986846 387420001 /nfs/dbraw/zinc/42/00/01/387420001.db2.gz IYFVUPYOCDLRAI-CMPLNLGQSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000266448445 387496743 /nfs/dbraw/zinc/49/67/43/387496743.db2.gz CFGDPVLSESVVFW-JQWIXIFHSA-N 0 1 233.315 2.123 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000122225136 387500902 /nfs/dbraw/zinc/50/09/02/387500902.db2.gz ZLAAFXYIRHLYCI-AOOOYVTPSA-N 0 1 235.331 2.117 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000122225136 387500906 /nfs/dbraw/zinc/50/09/06/387500906.db2.gz ZLAAFXYIRHLYCI-AOOOYVTPSA-N 0 1 235.331 2.117 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000122225136 387500911 /nfs/dbraw/zinc/50/09/11/387500911.db2.gz ZLAAFXYIRHLYCI-AOOOYVTPSA-N 0 1 235.331 2.117 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(C)(C)C1 ZINC000085697159 387501324 /nfs/dbraw/zinc/50/13/24/387501324.db2.gz CSWSCXXFXNPASF-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC000421917987 387503045 /nfs/dbraw/zinc/50/30/45/387503045.db2.gz PEBUFQQRXJPPAG-SECBINFHSA-N 0 1 231.299 2.339 20 0 BEADMN CC[C@@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000421917827 387503262 /nfs/dbraw/zinc/50/32/62/387503262.db2.gz OWDRQXUVGDMMLZ-SNVBAGLBSA-N 0 1 249.358 2.455 20 0 BEADMN Cc1nc(C)c(NCCN2CC=CCC2)nc1C ZINC000396858809 387506129 /nfs/dbraw/zinc/50/61/29/387506129.db2.gz VANBYMJJSKUIED-UHFFFAOYSA-N 0 1 246.358 2.076 20 0 BEADMN Cc1c[nH]nc1CNCCOC1CCCCC1 ZINC000352821641 387520142 /nfs/dbraw/zinc/52/01/42/387520142.db2.gz HYCBIHPXGUFLEE-UHFFFAOYSA-N 0 1 237.347 2.157 20 0 BEADMN CCCC[C@@H](CC)CN1CCN(C)C(=O)[C@H]1C ZINC000426161277 387543909 /nfs/dbraw/zinc/54/39/09/387543909.db2.gz NJJUSENTAIPUML-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@@]12CCOC2 ZINC000375279897 387521491 /nfs/dbraw/zinc/52/14/91/387521491.db2.gz PEWDVNKHAIPTTI-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN Cc1nsc(NC[C@@H](C)CC(F)(F)F)n1 ZINC000397000229 387531920 /nfs/dbraw/zinc/53/19/20/387531920.db2.gz JTJAABMJDIOPCI-YFKPBYRVSA-N 0 1 239.266 2.269 20 0 BEADMN Cc1[nH]ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000426110749 387539477 /nfs/dbraw/zinc/53/94/77/387539477.db2.gz GJYGCBWFZLRDFC-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC/C=C/CCN1CCN(CC)C(=O)C1(C)C ZINC000426107509 387540479 /nfs/dbraw/zinc/54/04/79/387540479.db2.gz YWXOXKBKFCPQAL-BQYQJAHWSA-N 0 1 238.375 2.285 20 0 BEADMN CCN(CCC1CC1)Cc1cc(C)n(C)n1 ZINC000355040011 387468012 /nfs/dbraw/zinc/46/80/12/387468012.db2.gz SLMOZAVCSQHQAI-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1nc([C@@H](C)NCCC2(CO)CC2)cs1 ZINC000395823585 387469027 /nfs/dbraw/zinc/46/90/27/387469027.db2.gz SEXNQMNNUNCRIT-SECBINFHSA-N 0 1 240.372 2.265 20 0 BEADMN O=S(=O)(Nc1ccccc1F)c1ccco1 ZINC000336622064 387476125 /nfs/dbraw/zinc/47/61/25/387476125.db2.gz ZDVLUIIPBAVBPZ-UHFFFAOYSA-N 0 1 241.243 2.220 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC[C@H]1C ZINC000336630277 387481926 /nfs/dbraw/zinc/48/19/26/387481926.db2.gz JSOWDQXPQXPQNL-SCZZXKLOSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC[C@@H]1C ZINC000336630278 387482997 /nfs/dbraw/zinc/48/29/97/387482997.db2.gz JSOWDQXPQXPQNL-WCBMZHEXSA-N 0 1 235.331 2.370 20 0 BEADMN CC[C@@H](C)CN1CCn2cc(C)nc2C1 ZINC000374709409 387485519 /nfs/dbraw/zinc/48/55/19/387485519.db2.gz IJJDTVIXGRSZRM-SNVBAGLBSA-N 0 1 207.321 2.053 20 0 BEADMN CN(C)c1ncc(CN(C)[C@H]2CC2(C)C)s1 ZINC000426538577 387580176 /nfs/dbraw/zinc/58/01/76/387580176.db2.gz JPKIHXIRQYWUTM-JTQLQIEISA-N 0 1 239.388 2.439 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCCCO2)ccn1 ZINC000527534914 387628206 /nfs/dbraw/zinc/62/82/06/387628206.db2.gz SBCBJNQLSKUKPI-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1ncnn1C ZINC000123614975 387588181 /nfs/dbraw/zinc/58/81/81/387588181.db2.gz PVJRURYFCWGZKC-GFCCVEGCSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNCCn2cccn2)o1 ZINC000042351641 387628476 /nfs/dbraw/zinc/62/84/76/387628476.db2.gz RHZBCSPPMMXQFO-DGCLKSJQSA-N 0 1 245.326 2.389 20 0 BEADMN CCC1(O)CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428220526 387591969 /nfs/dbraw/zinc/59/19/69/387591969.db2.gz HWVHHTIXTFQCIY-GFCCVEGCSA-N 0 1 249.358 2.083 20 0 BEADMN c1c[nH]c(CNCCc2cc3ccccc3o2)n1 ZINC000152573664 387592565 /nfs/dbraw/zinc/59/25/65/387592565.db2.gz GVAANKSXVZMRFO-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN COC(=O)c1ccc(CN2CC(C)=C[C@@H](C)C2)o1 ZINC000430272236 387605032 /nfs/dbraw/zinc/60/50/32/387605032.db2.gz ZXYHHOKVQVSLNW-SNVBAGLBSA-N 0 1 249.310 2.464 20 0 BEADMN COc1ncccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430277266 387607093 /nfs/dbraw/zinc/60/70/93/387607093.db2.gz FSNZFHFYIGIFMY-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN CC[C@H](C)CNC(=O)[C@@H](N)c1ccccc1C ZINC000422628362 387609180 /nfs/dbraw/zinc/60/91/80/387609180.db2.gz ALFFWXNZLHCNSU-GWCFXTLKSA-N 0 1 234.343 2.157 20 0 BEADMN CC[C@H](C)CNC(=O)[C@H](N)c1ccccc1C ZINC000422628363 387609208 /nfs/dbraw/zinc/60/92/08/387609208.db2.gz ALFFWXNZLHCNSU-GXFFZTMASA-N 0 1 234.343 2.157 20 0 BEADMN COC(=O)CN(C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356071080 387611940 /nfs/dbraw/zinc/61/19/40/387611940.db2.gz ZFUDTGKAFQCFPL-ZYHUDNBSSA-N 0 1 225.332 2.084 20 0 BEADMN CC[C@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000367220332 387612363 /nfs/dbraw/zinc/61/23/63/387612363.db2.gz TYIQSJDGSFEIRW-UONOGXRCSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1cncc(CNCc2cccnc2)c1 ZINC000122932702 387619134 /nfs/dbraw/zinc/61/91/34/387619134.db2.gz FIWOPYRAUFGWSD-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN Cc1csc(CN2[C@H](C)CCC[C@H]2CO)n1 ZINC000305633183 387619332 /nfs/dbraw/zinc/61/93/32/387619332.db2.gz NLNSZWBRSMJFFQ-MNOVXSKESA-N 0 1 240.372 2.187 20 0 BEADMN Cc1csc(CN2[C@@H](C)CCC[C@H]2CO)n1 ZINC000305633185 387620114 /nfs/dbraw/zinc/62/01/14/387620114.db2.gz NLNSZWBRSMJFFQ-QWRGUYRKSA-N 0 1 240.372 2.187 20 0 BEADMN CN(Cc1nc2ccccc2[nH]1)CC1CC1 ZINC000122937625 387620226 /nfs/dbraw/zinc/62/02/26/387620226.db2.gz FCGSRRORKTVTRG-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN C[C@@]1(O)CCCN(Cc2nc3ccccc3o2)C1 ZINC000124677136 387629587 /nfs/dbraw/zinc/62/95/87/387629587.db2.gz LQMXDBUDPNNTOS-CQSZACIVSA-N 0 1 246.310 2.175 20 0 BEADMN CC[N@H+](CC(=O)OC)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356198775 387626438 /nfs/dbraw/zinc/62/64/38/387626438.db2.gz YSLYJGHBZPPDSZ-YPMHNXCESA-N 0 1 239.359 2.474 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356198775 387626443 /nfs/dbraw/zinc/62/64/43/387626443.db2.gz YSLYJGHBZPPDSZ-YPMHNXCESA-N 0 1 239.359 2.474 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CCCC[C@@H]1C ZINC000527241565 387547321 /nfs/dbraw/zinc/54/73/21/387547321.db2.gz ILUFZNGXSRZENI-TUAOUCFPSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@]1(O)CCN(Cc2sccc2Cl)C1 ZINC000278394678 387553458 /nfs/dbraw/zinc/55/34/58/387553458.db2.gz FFNOSFDPFUYOPL-JTQLQIEISA-N 0 1 231.748 2.358 20 0 BEADMN CC(C)CNC(=O)CN[C@H](C)c1cccs1 ZINC000035133084 387555753 /nfs/dbraw/zinc/55/57/53/387555753.db2.gz NFUWJXPMLSMNOO-SNVBAGLBSA-N 0 1 240.372 2.171 20 0 BEADMN CC[C@@H](O)CNCc1coc(-c2ccccc2)n1 ZINC000422083837 387556896 /nfs/dbraw/zinc/55/68/96/387556896.db2.gz JKYHCQRDOPBNES-CYBMUJFWSA-N 0 1 246.310 2.202 20 0 BEADMN CCCc1nc(C)c(CN[C@H](CC)COC)o1 ZINC000426352932 387558874 /nfs/dbraw/zinc/55/88/74/387558874.db2.gz RYWSHHNCGVZYPF-LLVKDONJSA-N 0 1 240.347 2.450 20 0 BEADMN CC(C)CCC(=O)N1CCN(C2CCC2)CC1 ZINC000355679103 387567093 /nfs/dbraw/zinc/56/70/93/387567093.db2.gz HPVJZSUXWCCVCV-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccoc1 ZINC000376396998 387627614 /nfs/dbraw/zinc/62/76/14/387627614.db2.gz JEZQHUUDDGBTQN-DRZSPHRISA-N 0 1 248.326 2.084 20 0 BEADMN COC(=O)c1occc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426463931 387572757 /nfs/dbraw/zinc/57/27/57/387572757.db2.gz ZLSPOYGVKYLERN-PWSUYJOCSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1occc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426463931 387572761 /nfs/dbraw/zinc/57/27/61/387572761.db2.gz ZLSPOYGVKYLERN-PWSUYJOCSA-N 0 1 249.310 2.441 20 0 BEADMN COCc1ccc(CN[C@@H]2CSC2(C)C)o1 ZINC000282657880 387577235 /nfs/dbraw/zinc/57/72/35/387577235.db2.gz IIXMCNLFLQUQTO-LLVKDONJSA-N 0 1 241.356 2.410 20 0 BEADMN CC(C)N1CCN(CC2CCCCC2)CC1=O ZINC000356341112 387645405 /nfs/dbraw/zinc/64/54/05/387645405.db2.gz IABSOWNIUFHFKQ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](O)CNCc1c(F)ccc(F)c1Cl ZINC000527686312 387657944 /nfs/dbraw/zinc/65/79/44/387657944.db2.gz GPITUUUCCHRMJU-ZCFIWIBFSA-N 0 1 235.661 2.089 20 0 BEADMN CC(C)c1ccc([C@H]2CCCN2CC(N)=O)cc1 ZINC000125506583 387659789 /nfs/dbraw/zinc/65/97/89/387659789.db2.gz RPNKBYCHZDEOHO-CQSZACIVSA-N 0 1 246.354 2.432 20 0 BEADMN CC[C@H]1CN(Cc2cccc3c[nH]nc32)CCO1 ZINC000125546758 387660540 /nfs/dbraw/zinc/66/05/40/387660540.db2.gz KNWLLYROUQCIQY-ZDUSSCGKSA-N 0 1 245.326 2.174 20 0 BEADMN Cn1nncc1CN1CCCC2(CCCCC2)C1 ZINC000125702976 387663990 /nfs/dbraw/zinc/66/39/90/387663990.db2.gz REVUEGVCGQPGAZ-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)Nc2ncccn2)n[nH]1 ZINC000362956420 387680018 /nfs/dbraw/zinc/68/00/18/387680018.db2.gz YEVJPRGMVKKGLP-DTWKUNHWSA-N 0 1 246.318 2.281 20 0 BEADMN CC[C@H](F)CN(C)CCc1nccs1 ZINC000440759937 387685399 /nfs/dbraw/zinc/68/53/99/387685399.db2.gz DAGMKWBNQGIOJV-VIFPVBQESA-N 0 1 216.325 2.366 20 0 BEADMN C[C@H](CO)N(C)Cc1ccc(Cl)cc1F ZINC000163517263 387691633 /nfs/dbraw/zinc/69/16/33/387691633.db2.gz YGCJYXZTYRVFOD-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H](C)c1ccco1 ZINC000527837827 387750255 /nfs/dbraw/zinc/75/02/55/387750255.db2.gz YRGXRLBFTWSPKE-VIFPVBQESA-N 0 1 247.298 2.121 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H](C)c1ccco1 ZINC000527837824 387751112 /nfs/dbraw/zinc/75/11/12/387751112.db2.gz YRGXRLBFTWSPKE-SECBINFHSA-N 0 1 247.298 2.121 20 0 BEADMN C[C@H](CO)CNCc1csc(C(C)(C)C)n1 ZINC000123456114 387700008 /nfs/dbraw/zinc/70/00/08/387700008.db2.gz VVQFAMXYGBASHJ-VIFPVBQESA-N 0 1 242.388 2.159 20 0 BEADMN Cc1ccoc1CN[C@@]12C[C@@H]1COC2(C)C ZINC000527765855 387702683 /nfs/dbraw/zinc/70/26/83/387702683.db2.gz JYXXNNSSZRZHEF-MFKMUULPSA-N 0 1 221.300 2.245 20 0 BEADMN Cc1noc(CN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452039053 387707587 /nfs/dbraw/zinc/70/75/87/387707587.db2.gz ACEQKBYTRBCDQD-OWTLIXCDSA-N 0 1 247.342 2.246 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cnc(C2CC2)nc1 ZINC000527782921 387709449 /nfs/dbraw/zinc/70/94/49/387709449.db2.gz MCGFHTSNTMKWIF-OCCSQVGLSA-N 0 1 247.342 2.011 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccoc1C ZINC000527783210 387710351 /nfs/dbraw/zinc/71/03/51/387710351.db2.gz PSGAZGBKYKGNAI-NEPJUHHUSA-N 0 1 209.289 2.245 20 0 BEADMN CCC[C@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)C(C)C ZINC000422816941 387715104 /nfs/dbraw/zinc/71/51/04/387715104.db2.gz BSZISYSIXNIUJV-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CCC[C@@H](C)C1 ZINC000452055456 387716825 /nfs/dbraw/zinc/71/68/25/387716825.db2.gz BYUOVVZJAGVXST-OUAUKWLOSA-N 0 1 222.336 2.109 20 0 BEADMN Cc1ncccc1CNCc1ccnn1C(C)C ZINC000527792653 387718804 /nfs/dbraw/zinc/71/88/04/387718804.db2.gz CQVLVWZAVIUKER-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CC(C)CCOCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000377445191 387719869 /nfs/dbraw/zinc/71/98/69/387719869.db2.gz PLADXJIZAAGDPV-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H]2CCC[C@H]21 ZINC000377445191 387719875 /nfs/dbraw/zinc/71/98/75/387719875.db2.gz PLADXJIZAAGDPV-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)C(C)(C)C ZINC000356855539 387727082 /nfs/dbraw/zinc/72/70/82/387727082.db2.gz QDBAUSVUIUOEFP-UTUOFQBUSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1cnc(CN2CC3CCC2CC3)o1 ZINC000367561883 387727824 /nfs/dbraw/zinc/72/78/24/387727824.db2.gz DMFHGSIUBUJKNB-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nccs1 ZINC000527806147 387728287 /nfs/dbraw/zinc/72/82/87/387728287.db2.gz WPDLRJGKOIPFEC-LOKLDPHHSA-N 0 1 226.345 2.045 20 0 BEADMN Cc1cnc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)s1 ZINC000527804673 387729196 /nfs/dbraw/zinc/72/91/96/387729196.db2.gz RLICCCXSXQTLRY-WYFGTUCQSA-N 0 1 240.372 2.353 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cscn1 ZINC000527806563 387731707 /nfs/dbraw/zinc/73/17/07/387731707.db2.gz XZIZEYNHOKZKPQ-WYOJIJJFSA-N 0 1 226.345 2.045 20 0 BEADMN CC(C)CCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367598627 387734032 /nfs/dbraw/zinc/73/40/32/387734032.db2.gz FULSIQZYACAUEP-KGLIPLIRSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1cccnc1[C@H](C)NCC[N@H+](C)CC ZINC000356870555 387734730 /nfs/dbraw/zinc/73/47/30/387734730.db2.gz ODIBXRVLNLFBFK-LBPRGKRZSA-N 0 1 235.375 2.246 20 0 BEADMN COC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115739646 387739120 /nfs/dbraw/zinc/73/91/20/387739120.db2.gz AQLYVEUUXJESMW-SGMGOOAPSA-N 0 1 247.338 2.426 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccco1 ZINC000527973089 387812855 /nfs/dbraw/zinc/81/28/55/387812855.db2.gz DHIYKABKEAYLCE-JLLWLGSASA-N 0 1 209.289 2.498 20 0 BEADMN COCCC1CCN([C@H](C)c2cnccn2)CC1 ZINC000527933841 387796730 /nfs/dbraw/zinc/79/67/30/387796730.db2.gz IRWJWAWAFFDLID-GFCCVEGCSA-N 0 1 249.358 2.286 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccnn1C ZINC000528005451 387797955 /nfs/dbraw/zinc/79/79/55/387797955.db2.gz JAMUBIPMSRSJBA-UHTWSYAYSA-N 0 1 237.347 2.027 20 0 BEADMN CC(C)C1CCC(N(C)C(=O)CN(C)C)CC1 ZINC000432541689 387800121 /nfs/dbraw/zinc/80/01/21/387800121.db2.gz KTUBZXLBRRUIRU-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN COc1ccnc(NCc2cncn2C(C)C)c1 ZINC000424153056 387805292 /nfs/dbraw/zinc/80/52/92/387805292.db2.gz HSIOYJCLGNEWOD-UHFFFAOYSA-N 0 1 246.314 2.480 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1nnnn1C1CC1 ZINC000150739032 387758758 /nfs/dbraw/zinc/75/87/58/387758758.db2.gz MNXPMQAGVQXGAD-LLVKDONJSA-N 0 1 249.362 2.163 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CC1(C)CCC1 ZINC000432798818 387822182 /nfs/dbraw/zinc/82/21/82/387822182.db2.gz SGXHNROWJLZGEX-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cccc(F)c2)n[nH]1 ZINC000054126592 387824962 /nfs/dbraw/zinc/82/49/62/387824962.db2.gz ZTCJOEYGQSHNAK-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CC1(C)CCC1 ZINC000432815428 387827396 /nfs/dbraw/zinc/82/73/96/387827396.db2.gz GMUALACVWGVHBF-UEKVPHQBSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC1(C)CCC1 ZINC000432815427 387827630 /nfs/dbraw/zinc/82/76/30/387827630.db2.gz GMUALACVWGVHBF-ZETOZRRWSA-N 0 1 229.389 2.018 20 0 BEADMN Cn1cccc1C(=O)CN1CCC(C)(C)CC1 ZINC000061803892 387847502 /nfs/dbraw/zinc/84/75/02/387847502.db2.gz RJSYAWMKKOUQST-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC000452525760 387847976 /nfs/dbraw/zinc/84/79/76/387847976.db2.gz JHHFZLLSIGJBFZ-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](F)CN(C)C[C@@H](O)Cc1ccccc1 ZINC000433077838 387861612 /nfs/dbraw/zinc/86/16/12/387861612.db2.gz PUAMHOXQJLQZRE-KGLIPLIRSA-N 0 1 239.334 2.270 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])C(C)(C)C ZINC000394327464 387864143 /nfs/dbraw/zinc/86/41/43/387864143.db2.gz NMQWBAJOGCKQFL-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NCc1nc(C)no1 ZINC000070558413 387871769 /nfs/dbraw/zinc/87/17/69/387871769.db2.gz SADBQCYBAOSJCA-QWRGUYRKSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nsc(NCC[C@@H]2CC=CCC2)n1 ZINC000528184160 387872640 /nfs/dbraw/zinc/87/26/40/387872640.db2.gz XLRZYIAXLGMURN-SNVBAGLBSA-N 0 1 223.345 2.427 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000527974820 387813750 /nfs/dbraw/zinc/81/37/50/387813750.db2.gz PLTHKPMFXPDQFU-BIMULSAOSA-N 0 1 238.306 2.439 20 0 BEADMN OCc1cc(O)c(Cl)c(Br)c1 ZINC000575624011 387816334 /nfs/dbraw/zinc/81/63/34/387816334.db2.gz IUVAJXNTVWNPQU-UHFFFAOYSA-N 0 1 237.480 2.300 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034738 387817627 /nfs/dbraw/zinc/81/76/27/387817627.db2.gz BIUQAFDNLZUIHG-UTLUCORTSA-N 0 1 226.295 2.295 20 0 BEADMN Cc1cc(C)c(CNCc2cnnn2C)cc1C ZINC000288392012 177861527 /nfs/dbraw/zinc/86/15/27/177861527.db2.gz HBXVSFURIAJOCK-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN CC(C)=CCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000194407745 387881028 /nfs/dbraw/zinc/88/10/28/387881028.db2.gz ZCXYJSZJPGUECW-AWEZNQCLSA-N 0 1 246.354 2.372 20 0 BEADMN CC[C@](C)(CNCc1ccn(C(C)C)n1)OC ZINC000322541045 387881733 /nfs/dbraw/zinc/88/17/33/387881733.db2.gz SRCKFBPFHNPEGG-CYBMUJFWSA-N 0 1 239.363 2.369 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N(C)CC1=CCCC1 ZINC000645861774 387882469 /nfs/dbraw/zinc/88/24/69/387882469.db2.gz LKDYNAHMCAORSI-LLVKDONJSA-N 0 1 238.375 2.332 20 0 BEADMN CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(F)F ZINC000452668009 387885334 /nfs/dbraw/zinc/88/53/34/387885334.db2.gz HYKMGXWAAMNCLN-BBBLOLIVSA-N 0 1 248.317 2.019 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000173568627 387899896 /nfs/dbraw/zinc/89/98/96/387899896.db2.gz VCNQKKCYZJEPDB-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CN(CCO[C@H]1CCCCO1)Cc1ccco1 ZINC000195230425 387910618 /nfs/dbraw/zinc/91/06/18/387910618.db2.gz ALRUFIWLNONDJX-ZDUSSCGKSA-N 0 1 239.315 2.255 20 0 BEADMN CC(C)N(Cc1ncccn1)CC1CCC1 ZINC000444776573 387929644 /nfs/dbraw/zinc/92/96/44/387929644.db2.gz MFSSPXCOKICFEC-UHFFFAOYSA-N 0 1 219.332 2.487 20 0 BEADMN CCCCC(=O)N1CCN([C@H](C)CC)CC1 ZINC000242791878 387937347 /nfs/dbraw/zinc/93/73/47/387937347.db2.gz FAEMTIUJXNWMGD-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN C[C@H](NCc1cccc(CO)c1)c1cncs1 ZINC000223249837 387936691 /nfs/dbraw/zinc/93/66/91/387936691.db2.gz JAJBCDRYNOJHSM-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN CC(C)[C@H](CC(F)(F)F)NCc1nccn1C ZINC000438473135 387937083 /nfs/dbraw/zinc/93/70/83/387937083.db2.gz CFIJHRCHGSVMII-VIFPVBQESA-N 0 1 249.280 2.487 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccccc1 ZINC000178842768 387926265 /nfs/dbraw/zinc/92/62/65/387926265.db2.gz AEDLZMFEGNUMKX-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@@H]2C2CCC2)o1 ZINC000237939196 387928957 /nfs/dbraw/zinc/92/89/57/387928957.db2.gz IAAYUBUJKPNADZ-GFCCVEGCSA-N 0 1 248.326 2.143 20 0 BEADMN COc1cnccc1[C@H](C)NCc1ccn(C)c1 ZINC000438478655 387937902 /nfs/dbraw/zinc/93/79/02/387937902.db2.gz NJGCKQDAXOXIQP-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN CCC(CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000243333938 387939542 /nfs/dbraw/zinc/93/95/42/387939542.db2.gz LQNFJQIRLOEGHY-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1noc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1 ZINC000245225423 387942443 /nfs/dbraw/zinc/94/24/43/387942443.db2.gz UVRQQRZEVQMGDY-GDGBQDQQSA-N 0 1 223.320 2.292 20 0 BEADMN O=C(C1CC1)N1CCC[N@@H+](CC2=CCCC2)CC1 ZINC000645879918 387958250 /nfs/dbraw/zinc/95/82/50/387958250.db2.gz XIJDSSUMOMKXEP-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN COc1ccnc(CNC2CC(C(C)C)C2)n1 ZINC000424304133 387962624 /nfs/dbraw/zinc/96/26/24/387962624.db2.gz AUCYALJJZLCNOC-UHFFFAOYSA-N 0 1 235.331 2.009 20 0 BEADMN CCCC[C@@H](C)NCc1nccc(OC)n1 ZINC000424307483 387964656 /nfs/dbraw/zinc/96/46/56/387964656.db2.gz LNTXNOHAQPKWBZ-SNVBAGLBSA-N 0 1 223.320 2.154 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@@H]2C(C)C)n1 ZINC000424309729 387964927 /nfs/dbraw/zinc/96/49/27/387964927.db2.gz QZYQDKHYGWFJTO-NEPJUHHUSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@H](NC[C@H](O)C(F)(F)F)c1ccncc1 ZINC000453092179 387981883 /nfs/dbraw/zinc/98/18/83/387981883.db2.gz LZVZIWAJZLSVFP-UWVGGRQHSA-N 0 1 248.248 2.046 20 0 BEADMN CCCCc1cnc(NCc2cn[nH]c2C)nc1 ZINC000453053630 387973792 /nfs/dbraw/zinc/97/37/92/387973792.db2.gz QBYYFNYGDQOYGD-UHFFFAOYSA-N 0 1 245.330 2.463 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CCCCO2)CCO1 ZINC000249001356 387974588 /nfs/dbraw/zinc/97/45/88/387974588.db2.gz YTWOZSYBZVVITA-CHWSQXEVSA-N 0 1 227.348 2.056 20 0 BEADMN COCCCCCN1CCc2ncsc2C1 ZINC000445874028 387977591 /nfs/dbraw/zinc/97/75/91/387977591.db2.gz DRPWUZKTBUSRLW-UHFFFAOYSA-N 0 1 240.372 2.318 20 0 BEADMN C[C@@H]1CCN(Cc2cn3cccnc3n2)C[C@H]1C ZINC000245894111 387989530 /nfs/dbraw/zinc/98/95/30/387989530.db2.gz KCLZPAGQOSMEBZ-VXGBXAGGSA-N 0 1 244.342 2.207 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@]1(C)CCCO1 ZINC000453127697 387991757 /nfs/dbraw/zinc/99/17/57/387991757.db2.gz LQTSHHIWCXBIHH-AAEUAGOBSA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccncc1 ZINC000453092177 387982337 /nfs/dbraw/zinc/98/23/37/387982337.db2.gz LZVZIWAJZLSVFP-NXEZZACHSA-N 0 1 248.248 2.046 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H]1SC ZINC000453156166 388000381 /nfs/dbraw/zinc/00/03/81/388000381.db2.gz ZFGMQZKTGFYAHX-AXFHLTTASA-N 0 1 239.388 2.448 20 0 BEADMN Cc1ccncc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424416549 388005763 /nfs/dbraw/zinc/00/57/63/388005763.db2.gz KIWHXAGHRHYSFF-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000046058844 388006738 /nfs/dbraw/zinc/00/67/38/388006738.db2.gz FMIMKHDSKUTHBG-RYUDHWBXSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccn[nH]1 ZINC000246134459 388012757 /nfs/dbraw/zinc/01/27/57/388012757.db2.gz JLGVCHVIQUITCR-CKYFFXLPSA-N 0 1 233.315 2.203 20 0 BEADMN CC[C@H](NC1CC(C)(F)C1)c1nccn1C ZINC000453242660 388021761 /nfs/dbraw/zinc/02/17/61/388021761.db2.gz WEMQBVQYKAGCPF-YZRBJQDESA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(F)F ZINC000453246184 388023600 /nfs/dbraw/zinc/02/36/00/388023600.db2.gz MQEDHPQGXIWQHO-MIMYLULJSA-N 0 1 232.318 2.102 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](CC)C2)o1 ZINC000446717551 388033207 /nfs/dbraw/zinc/03/32/07/388033207.db2.gz SXMVDDYOCHLYIV-VHSXEESVSA-N 0 1 223.320 2.425 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2CC23CCC3)[nH]1 ZINC001645476485 1172670588 /nfs/dbraw/zinc/67/05/88/1172670588.db2.gz OFEYCBPIUZGPTO-LLVKDONJSA-N 0 1 247.342 2.340 20 0 BEADMN CCn1ccnc1CN[C@H](COC)CC(C)C ZINC000453288708 388034431 /nfs/dbraw/zinc/03/44/31/388034431.db2.gz LSESXTKNEAPOTH-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1ccnc1CN[C@@H](COC)CC(C)C ZINC000453288705 388034627 /nfs/dbraw/zinc/03/46/27/388034627.db2.gz LSESXTKNEAPOTH-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN CC[C@](C)(CN[C@@H](C)c1cc(C)on1)OC ZINC000453304278 388039884 /nfs/dbraw/zinc/03/98/84/388039884.db2.gz OUNWYGRGGCAAMO-CMPLNLGQSA-N 0 1 226.320 2.449 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1cc(C)n(C)n1)OC ZINC000453253930 388026392 /nfs/dbraw/zinc/02/63/92/388026392.db2.gz QIHSGGBTGFEPPB-NWDGAFQWSA-N 0 1 239.363 2.194 20 0 BEADMN CO[C@@H]([C@@H](C)N[C@@H](C)c1cc(C)on1)C1CC1 ZINC000453341470 388051957 /nfs/dbraw/zinc/05/19/57/388051957.db2.gz CFQYPJKPYYOQMY-CWSCBRNRSA-N 0 1 238.331 2.447 20 0 BEADMN CCc1nnc(SC[C@H]2CCO[C@H](C)C2)[nH]1 ZINC000447112548 388054414 /nfs/dbraw/zinc/05/44/14/388054414.db2.gz VYXBWSFIRINWMS-BDAKNGLRSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCO[C@H](C)C2)n1 ZINC000447112548 388054417 /nfs/dbraw/zinc/05/44/17/388054417.db2.gz VYXBWSFIRINWMS-BDAKNGLRSA-N 0 1 241.360 2.274 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H](C)C(C)(C)OC ZINC000453359571 388058199 /nfs/dbraw/zinc/05/81/99/388058199.db2.gz QEEBRTIPHAZORU-MNOVXSKESA-N 0 1 239.363 2.367 20 0 BEADMN CC(C)(C)CSCCCN1CCOCC1 ZINC000440593749 388059686 /nfs/dbraw/zinc/05/96/86/388059686.db2.gz GZYIIHMHNLXJBN-UHFFFAOYSA-N 0 1 231.405 2.488 20 0 BEADMN CCOC(=O)[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC000440700003 388069257 /nfs/dbraw/zinc/06/92/57/388069257.db2.gz VMZKZXUXQBDACJ-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN c1nc(CNCCCC2CCOCC2)cs1 ZINC000336657657 388071943 /nfs/dbraw/zinc/07/19/43/388071943.db2.gz IMIGSKJRBLGGSB-UHFFFAOYSA-N 0 1 240.372 2.440 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@H]1CC[C@H](C)O1 ZINC000453407770 388076086 /nfs/dbraw/zinc/07/60/86/388076086.db2.gz MNZSDESPMMWVHT-SRVKXCTJSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccn(C)n1 ZINC000453418228 388077877 /nfs/dbraw/zinc/07/78/77/388077877.db2.gz VZJKLBZSXRCHLK-TUAOUCFPSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](N[C@H](C)c1cc(C)c(C)o1)C(=O)NC ZINC000453422895 388080354 /nfs/dbraw/zinc/08/03/54/388080354.db2.gz XOPWEMNTDBTXOB-KOLCDFICSA-N 0 1 238.331 2.072 20 0 BEADMN CCn1cncc1CNCc1ccccc1 ZINC000085182950 388084627 /nfs/dbraw/zinc/08/46/27/388084627.db2.gz WVORVBNKEHJHLN-UHFFFAOYSA-N 0 1 215.300 2.193 20 0 BEADMN CCC1CN(Cc2ccc(N(C)CC)nc2)C1 ZINC000453600379 388089718 /nfs/dbraw/zinc/08/97/18/388089718.db2.gz DWLFRQSFRPJXDR-UHFFFAOYSA-N 0 1 233.359 2.380 20 0 BEADMN CCC1CN(Cc2ccc(COC)o2)C1 ZINC000453598653 388090093 /nfs/dbraw/zinc/09/00/93/388090093.db2.gz AQKKCNNUJFOZBJ-UHFFFAOYSA-N 0 1 209.289 2.268 20 0 BEADMN O=C(/C=C/C1CCCCC1)Nc1cn[nH]c1 ZINC000117755106 388091705 /nfs/dbraw/zinc/09/17/05/388091705.db2.gz KSAJIVCMQRNNSV-VOTSOKGWSA-N 0 1 219.288 2.485 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NCc1nccn1C ZINC000453621874 388093594 /nfs/dbraw/zinc/09/35/94/388093594.db2.gz YTTDMGHUETUFFG-WCQYABFASA-N 0 1 221.348 2.334 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NCc1nccnc1OC ZINC000453621868 388093830 /nfs/dbraw/zinc/09/38/30/388093830.db2.gz YTKNQBGZLICNBI-GXTWGEPZSA-N 0 1 249.358 2.400 20 0 BEADMN CCc1ccc(CN2CC(CC)C2)cn1 ZINC000453618207 388093870 /nfs/dbraw/zinc/09/38/70/388093870.db2.gz RRVQLPSHKVFPDD-UHFFFAOYSA-N 0 1 204.317 2.486 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2ncc[nH]2)C12CCCC2 ZINC000085681750 388094500 /nfs/dbraw/zinc/09/45/00/388094500.db2.gz AFGOXKMRQVCJHV-NWDGAFQWSA-N 0 1 249.358 2.237 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](C)[C@H]1CC ZINC000447882648 388100448 /nfs/dbraw/zinc/10/04/48/388100448.db2.gz PXIMSNHDIDBQAV-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN CCO[C@H]1C[C@H](N(C)Cc2ccno2)C1(C)C ZINC000533294025 388045962 /nfs/dbraw/zinc/04/59/62/388045962.db2.gz FLBOTOOMDHMOER-RYUDHWBXSA-N 0 1 238.331 2.310 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)Cc2ccno2)C1(C)C ZINC000533294023 388046058 /nfs/dbraw/zinc/04/60/58/388046058.db2.gz FLBOTOOMDHMOER-NEPJUHHUSA-N 0 1 238.331 2.310 20 0 BEADMN Fc1cc(F)c(CNC[C@@H]2CCCO2)cc1F ZINC000083373481 388050000 /nfs/dbraw/zinc/05/00/00/388050000.db2.gz OZDHFWHQOXAILB-VIFPVBQESA-N 0 1 245.244 2.373 20 0 BEADMN CC/C=C\CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000455322389 388156210 /nfs/dbraw/zinc/15/62/10/388156210.db2.gz HVLLSTZNVUTLQS-DLRQAJBASA-N 0 1 248.330 2.053 20 0 BEADMN CCOCCN(C)Cc1cc(F)cc(OC)c1 ZINC000449227639 388159571 /nfs/dbraw/zinc/15/95/71/388159571.db2.gz QAFHQFVMMMULFF-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CC(C)(C)C[C@H](O)CNCc1cscn1 ZINC000164143834 388161531 /nfs/dbraw/zinc/16/15/31/388161531.db2.gz LCNAYBSVJIWCRL-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN FCC(CF)N[C@@H]1CCCC12CCOCC2 ZINC000449380001 388187807 /nfs/dbraw/zinc/18/78/07/388187807.db2.gz LMKLAZKGNHBFOW-LLVKDONJSA-N 0 1 233.302 2.233 20 0 BEADMN Cc1cnc(CNC[C@H]2CCC(C)(C)O2)s1 ZINC000449260532 388164113 /nfs/dbraw/zinc/16/41/13/388164113.db2.gz WJKYSJCKQAEREA-SNVBAGLBSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@@H](C)[N@@H+](CC[C@@H]1CCCCO1)CC(=O)[O-] ZINC000455646985 388165711 /nfs/dbraw/zinc/16/57/11/388165711.db2.gz SNWVBRMFRIBMRB-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN COc1nccnc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000449281267 388167258 /nfs/dbraw/zinc/16/72/58/388167258.db2.gz CVTFFDGPUBLUHQ-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CCC(C)(CC)C(=O)N1CCc2nc[nH]c2C1 ZINC000646260787 388171429 /nfs/dbraw/zinc/17/14/29/388171429.db2.gz HSWAFRQWUCGJSN-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN O=C(C1CCCCCC1)N1CCc2nc[nH]c2C1 ZINC000646259592 388171758 /nfs/dbraw/zinc/17/17/58/388171758.db2.gz NLAPIZHVISBUEF-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000646260687 388171786 /nfs/dbraw/zinc/17/17/86/388171786.db2.gz ZRTHBNPCXUZQTL-GHMZBOCLSA-N 0 1 247.342 2.121 20 0 BEADMN O=C(CC1=CCCCC1)N1CCc2nc[nH]c2C1 ZINC000646260555 388171873 /nfs/dbraw/zinc/17/18/73/388171873.db2.gz RBYWGSPSMZASLH-UHFFFAOYSA-N 0 1 245.326 2.185 20 0 BEADMN CCC[C@H](C(=O)N1CCc2nc[nH]c2C1)C(C)C ZINC000646259034 388172063 /nfs/dbraw/zinc/17/20/63/388172063.db2.gz AYNVBQUCLMDNSA-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN Cc1cc2nc(N3CCN(C)CC3)oc2c(C)c1 ZINC000013675083 388173204 /nfs/dbraw/zinc/17/32/04/388173204.db2.gz HPSNIWKAGRJQCE-UHFFFAOYSA-N 0 1 245.326 2.196 20 0 BEADMN FCC(CF)N[C@H]1CC[C@H]1C1CCC1 ZINC000449379157 388188357 /nfs/dbraw/zinc/18/83/57/388188357.db2.gz GYFWAZWSRYKGLX-QWRGUYRKSA-N 0 1 203.276 2.462 20 0 BEADMN Cc1ccc(CCCN(C2CC2)C2COC2)cn1 ZINC000449351351 388178462 /nfs/dbraw/zinc/17/84/62/388178462.db2.gz OLLUPNLDRMPVTL-UHFFFAOYSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1cccc(CCN(C2CC2)C2COC2)c1 ZINC000449351614 388178725 /nfs/dbraw/zinc/17/87/25/388178725.db2.gz QJWPPEONFHEZLK-UHFFFAOYSA-N 0 1 231.339 2.401 20 0 BEADMN CC(C)N(C/C=C/c1ccncc1)C1COC1 ZINC000449352458 388179928 /nfs/dbraw/zinc/17/99/28/388179928.db2.gz VPPXZGRMOHHCRR-ONEGZZNKSA-N 0 1 232.327 2.204 20 0 BEADMN CC[C@H](N[C@@H]1CCCOCC1)C(F)F ZINC000449356538 388180833 /nfs/dbraw/zinc/18/08/33/388180833.db2.gz AFDRPTJDXPYVDH-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@@H](C)C1)C(F)F ZINC000449361084 388181336 /nfs/dbraw/zinc/18/13/36/388181336.db2.gz KMPILOBGHRRPSU-YIZRAAEISA-N 0 1 207.264 2.187 20 0 BEADMN CC[C@@H](NCC[C@@H]1CCOC1)C(F)F ZINC000449366673 388183145 /nfs/dbraw/zinc/18/31/45/388183145.db2.gz ZUJDIXKCUJMORW-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN COC(=O)c1occc1CNC1CC(C)(F)C1 ZINC000449370479 388183888 /nfs/dbraw/zinc/18/38/88/388183888.db2.gz KHQVAXVIPMDNQC-UHFFFAOYSA-N 0 1 241.262 2.046 20 0 BEADMN COC(=O)c1ccc(CNC2CC(C)(F)C2)o1 ZINC000449370490 388184527 /nfs/dbraw/zinc/18/45/27/388184527.db2.gz KLTTWYREFPOPFR-UHFFFAOYSA-N 0 1 241.262 2.046 20 0 BEADMN CCN(C)Cc1ccnn1C1CCCC1 ZINC000449008913 388127428 /nfs/dbraw/zinc/12/74/28/388127428.db2.gz LMKRTFTUKMGEMF-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN COc1cc2ccccc2cc1CN(C)CCO ZINC000449004533 388127864 /nfs/dbraw/zinc/12/78/64/388127864.db2.gz YNRCKVGZLQLQKL-UHFFFAOYSA-N 0 1 245.322 2.273 20 0 BEADMN CCCCN(Cc1c(C)nnn1CC)C1CC1 ZINC000449012239 388128856 /nfs/dbraw/zinc/12/88/56/388128856.db2.gz ZYCNGGVWSYKMNU-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1ccncc1F ZINC000449014255 388129659 /nfs/dbraw/zinc/12/96/59/388129659.db2.gz OUNVCPDXIPLAEF-VIFPVBQESA-N 0 1 208.280 2.451 20 0 BEADMN COCC1CCN(Cc2ccncc2F)CC1 ZINC000449023530 388131798 /nfs/dbraw/zinc/13/17/98/388131798.db2.gz RPPZSLIGYFOIJJ-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN CCC1(CC)CN(C[C@@H]2C[C@@H]2C)CC[S@]1=O ZINC000488566393 388186293 /nfs/dbraw/zinc/18/62/93/388186293.db2.gz XFGQILAPCWQPAW-MQIPJXDCSA-N 0 1 243.416 2.266 20 0 BEADMN COc1nccc(C[N@@H+](C(C)C)C2CCC2)n1 ZINC000449026291 388132000 /nfs/dbraw/zinc/13/20/00/388132000.db2.gz FIDSRRKXTWZZFG-UHFFFAOYSA-N 0 1 235.331 2.248 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2nccnc2OC)C1 ZINC000449037427 388133980 /nfs/dbraw/zinc/13/39/80/388133980.db2.gz NCLSFICNVVTAEU-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@]1(C)CCN(Cc2nccnc2OC)C1 ZINC000449037427 388133983 /nfs/dbraw/zinc/13/39/83/388133983.db2.gz NCLSFICNVVTAEU-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CCOC(=O)CN(C[C@@H]1C[C@@H]1C)C1CCC1 ZINC000488547045 388186556 /nfs/dbraw/zinc/18/65/56/388186556.db2.gz RTFLXXSFLYCYOH-QWRGUYRKSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](C)C(C)C ZINC000449132763 388146714 /nfs/dbraw/zinc/14/67/14/388146714.db2.gz WGXZQXZEOUJBKL-TZMCWYRMSA-N 0 1 248.370 2.403 20 0 BEADMN CC[C@H](NCc1c[nH]nn1)c1csc(C)c1 ZINC000646126878 388148047 /nfs/dbraw/zinc/14/80/47/388148047.db2.gz GEVFSXTYPPSQEY-NSHDSACASA-N 0 1 236.344 2.416 20 0 BEADMN CCc1nocc1CNc1ccc2c(n1)CCC2 ZINC000449665090 388250617 /nfs/dbraw/zinc/25/06/17/388250617.db2.gz MFOZKJDEZFDWFF-UHFFFAOYSA-N 0 1 243.310 2.155 20 0 BEADMN CC[C@@H](NCC(=O)NC)c1ccc(Cl)s1 ZINC000166399204 388255250 /nfs/dbraw/zinc/25/52/50/388255250.db2.gz UEOXJEXWWSJMGG-SSDOTTSWSA-N 0 1 246.763 2.188 20 0 BEADMN CCOC(=O)[C@H](CC)N(C[C@@H]1C[C@@H]1C)C1CC1 ZINC000488587154 388190140 /nfs/dbraw/zinc/19/01/40/388190140.db2.gz XUCZECYWXQVBSC-GVXVVHGQSA-N 0 1 239.359 2.449 20 0 BEADMN C[C@@H](C[S@](C)=O)NCc1ccccc1Cl ZINC000164271151 388191460 /nfs/dbraw/zinc/19/14/60/388191460.db2.gz FXPQSSQGHZENHL-BJOHPYRUSA-N 0 1 245.775 2.197 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000456369683 388197539 /nfs/dbraw/zinc/19/75/39/388197539.db2.gz FUJJDGSJBNPWCG-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000488978305 388199732 /nfs/dbraw/zinc/19/97/32/388199732.db2.gz HSIXNTOLOXYNLA-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1CCC1 ZINC000488960129 388199789 /nfs/dbraw/zinc/19/97/89/388199789.db2.gz IJVHLKFNFKKXIO-UHFFFAOYSA-N 0 1 233.246 2.441 20 0 BEADMN Cn1cc(CN2CC[C@H]2C2CC2)c(C(F)F)n1 ZINC000449425167 388201848 /nfs/dbraw/zinc/20/18/48/388201848.db2.gz HCGKDQMGBXOFAG-JTQLQIEISA-N 0 1 241.285 2.342 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000489008079 388201892 /nfs/dbraw/zinc/20/18/92/388201892.db2.gz ITROWESIHNNGGH-IJLUTSLNSA-N 0 1 236.363 2.164 20 0 BEADMN CCN(Cc1cccc2cccnc21)C1COC1 ZINC000449428606 388202645 /nfs/dbraw/zinc/20/26/45/388202645.db2.gz VPXYMXTZRPMVHC-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000456523636 388206106 /nfs/dbraw/zinc/20/61/06/388206106.db2.gz FKUUFXNYGCMWSK-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)CCC2CC2)CC1 ZINC000456535442 388206433 /nfs/dbraw/zinc/20/64/33/388206433.db2.gz UJQJSYULOYCXKL-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C(C)(C)CC)CC1 ZINC000456527986 388206783 /nfs/dbraw/zinc/20/67/83/388206783.db2.gz KAZOLHMWCHXSMC-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000183815041 177768834 /nfs/dbraw/zinc/76/88/34/177768834.db2.gz FCVKOSZJAWXKFZ-XWIASGKRSA-N 0 1 247.342 2.369 20 0 BEADMN CC[C@H](NC(=O)Cc1cc(C)n[nH]1)C1CCCC1 ZINC000456651974 388213130 /nfs/dbraw/zinc/21/31/30/388213130.db2.gz FJLYZYYTKDNKLW-ZDUSSCGKSA-N 0 1 249.358 2.346 20 0 BEADMN C[N@@H+](CC(=O)NCCC(C)(C)C)[C@H]1CC1(C)C ZINC000489436636 388214104 /nfs/dbraw/zinc/21/41/04/388214104.db2.gz YIOMSXZNBVTQLD-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CN(CC(=O)NCCC(C)(C)C)[C@H]1CC1(C)C ZINC000489436636 388214106 /nfs/dbraw/zinc/21/41/06/388214106.db2.gz YIOMSXZNBVTQLD-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN COC(=O)c1coc(CN(C)[C@@H]2CC2(C)C)c1 ZINC000489476402 388217493 /nfs/dbraw/zinc/21/74/93/388217493.db2.gz ICOLJYLIKLQOQQ-LLVKDONJSA-N 0 1 237.299 2.297 20 0 BEADMN CO[C@@H]1CCN(Cc2cnc(C)nc2)CC1(C)C ZINC000449495264 388218687 /nfs/dbraw/zinc/21/86/87/388218687.db2.gz CWJUGBLTSUVAQV-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN CO[C@H]1CCN(Cc2cnc(C)cn2)CC1(C)C ZINC000449506994 388220378 /nfs/dbraw/zinc/22/03/78/388220378.db2.gz ZZYSHCMJCMQTQB-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN CO[C@@H]1CCN(Cc2cnc(C)cn2)CC1(C)C ZINC000449506993 388220863 /nfs/dbraw/zinc/22/08/63/388220863.db2.gz ZZYSHCMJCMQTQB-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccnc(C)n2)C[C@@H]1C ZINC000449510603 388221187 /nfs/dbraw/zinc/22/11/87/388221187.db2.gz XKZBNQSAKQETBV-SMDDNHRTSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H](CN1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000449520536 388223565 /nfs/dbraw/zinc/22/35/65/388223565.db2.gz FGZONADQSVZBNX-QWHCGFSZSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1cnc(CN2C[C@H](C3CC3)[C@H]2C2CC2)n1C ZINC000449536409 388225999 /nfs/dbraw/zinc/22/59/99/388225999.db2.gz IMDHYSDWUQXLOR-UKRRQHHQSA-N 0 1 245.370 2.349 20 0 BEADMN c1nc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)co1 ZINC000449543451 388228312 /nfs/dbraw/zinc/22/83/12/388228312.db2.gz SUMAIIIWBWIYCM-STQMWFEESA-N 0 1 218.300 2.295 20 0 BEADMN COC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042199 388232422 /nfs/dbraw/zinc/23/24/22/388232422.db2.gz IECGGNHHLFEMRO-JSGCOSHPSA-N 0 1 247.338 2.346 20 0 BEADMN CC(C)OC1CC(N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000449568331 388234581 /nfs/dbraw/zinc/23/45/81/388234581.db2.gz AUVDTARVJWWVPE-YWPUVAFDSA-N 0 1 249.358 2.435 20 0 BEADMN Fc1ccc(CC2(NCc3cc[nH]n3)CC2)cc1 ZINC000449567418 388234877 /nfs/dbraw/zinc/23/48/77/388234877.db2.gz UAXNGHLLJXLACA-UHFFFAOYSA-N 0 1 245.301 2.414 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H](C)COC(C)C ZINC000449567908 388235365 /nfs/dbraw/zinc/23/53/65/388235365.db2.gz ZIEFTWBWPTXIOO-NWDGAFQWSA-N 0 1 239.363 2.367 20 0 BEADMN Cc1nocc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449587166 388238084 /nfs/dbraw/zinc/23/80/84/388238084.db2.gz NWFDQVSSTYIXHL-GFCCVEGCSA-N 0 1 240.347 2.212 20 0 BEADMN Cc1cc(F)c(CNC[C@H](C)O)c(Cl)c1 ZINC000459376712 388242822 /nfs/dbraw/zinc/24/28/22/388242822.db2.gz LSRQBOFMTYVFHA-QMMMGPOBSA-N 0 1 231.698 2.258 20 0 BEADMN Cc1cc(CNC[C@@](C)(O)CCC(C)C)no1 ZINC000459449678 388244581 /nfs/dbraw/zinc/24/45/81/388244581.db2.gz UNLYMSHURYCXLA-ZDUSSCGKSA-N 0 1 240.347 2.260 20 0 BEADMN CC[C@@H](C)[NH+]1CCN(C[C@@H](C)CC)CC1 ZINC000449629598 388246444 /nfs/dbraw/zinc/24/64/44/388246444.db2.gz KVYPWUJPOSQQRN-QWHCGFSZSA-N 0 1 212.381 2.449 20 0 BEADMN C[C@H](CN1CC(=O)N[C@@H](C)C1)C1CCCCC1 ZINC000451643447 388286833 /nfs/dbraw/zinc/28/68/33/388286833.db2.gz UBPUUAYTIPCWNN-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CCN(C(=O)CCCC(C)C)[C@H](C)C1 ZINC000451678805 388289063 /nfs/dbraw/zinc/28/90/63/388289063.db2.gz NUFSGSGPDLWXFH-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN O=C(C=CC1CC1)Nc1nc2ccccc2[nH]1 ZINC000491931060 388328299 /nfs/dbraw/zinc/32/82/99/388328299.db2.gz APHQZQVTRPKMLL-BQYQJAHWSA-N 0 1 227.267 2.468 20 0 BEADMN Cc1noc(C)c1CCN(C)Cc1ccccn1 ZINC000451373135 388266826 /nfs/dbraw/zinc/26/68/26/388266826.db2.gz YYJRUPDXOQJJJZ-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2ncc(C)cn2)C1(C)C ZINC000451481889 388277150 /nfs/dbraw/zinc/27/71/50/388277150.db2.gz BQKDLZNPJWPMTL-RISCZKNCSA-N 0 1 249.358 2.078 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)[C@H](C)CN1C ZINC000492318813 388341453 /nfs/dbraw/zinc/34/14/53/388341453.db2.gz JQTKLSIEEXBAPI-PKJDGDQJSA-N 0 1 238.375 2.140 20 0 BEADMN C[C@@H](CN[C@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275440746 388345288 /nfs/dbraw/zinc/34/52/88/388345288.db2.gz ADGLJHLRWWDVAV-NWDGAFQWSA-N 0 1 244.342 2.269 20 0 BEADMN COc1nccc(CN[C@@H](C)c2ccccc2)n1 ZINC000294833681 388404523 /nfs/dbraw/zinc/40/45/23/388404523.db2.gz SPCCYVBXRQQDIH-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)N(C)C ZINC000193426843 388349574 /nfs/dbraw/zinc/34/95/74/388349574.db2.gz JPNBOALXQDAAHC-GFCCVEGCSA-N 0 1 234.343 2.076 20 0 BEADMN CC[C@H](CO)N(C)Cc1cccc(F)c1F ZINC000293646789 388355939 /nfs/dbraw/zinc/35/59/39/388355939.db2.gz GNHZLUUIIUCQGP-SNVBAGLBSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cnc(CN[C@@H]2CCOC2(C)C)s1 ZINC000294797523 388405031 /nfs/dbraw/zinc/40/50/31/388405031.db2.gz OURHXKNTBLDMDQ-SECBINFHSA-N 0 1 226.345 2.109 20 0 BEADMN CCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000646463086 388361605 /nfs/dbraw/zinc/36/16/05/388361605.db2.gz UCCIYAKKGBWGNU-UHFFFAOYSA-N 0 1 231.255 2.131 20 0 BEADMN CCC[C@H]1CCCC[C@H]1NC(=O)CN(C)C ZINC000524517188 388364320 /nfs/dbraw/zinc/36/43/20/388364320.db2.gz LOJKZZQGEGJZER-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc([C@H](C)N(C)C(=O)CN(C)C)cc1 ZINC000193551294 388372706 /nfs/dbraw/zinc/37/27/06/388372706.db2.gz KFZNFANMXVZINR-LBPRGKRZSA-N 0 1 234.343 2.076 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1ccc(Cl)s1 ZINC000648800709 388373530 /nfs/dbraw/zinc/37/35/30/388373530.db2.gz OTKRYNFVSAPHOW-VXNVDRBHSA-N 0 1 231.748 2.357 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2ccco2)[C@H]1SC ZINC000291408526 388375767 /nfs/dbraw/zinc/37/57/67/388375767.db2.gz GBLJWBUGQATZED-IJLUTSLNSA-N 0 1 241.356 2.278 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2ccco2)[C@@H]1SC ZINC000291408535 388376014 /nfs/dbraw/zinc/37/60/14/388376014.db2.gz GBLJWBUGQATZED-UTUOFQBUSA-N 0 1 241.356 2.278 20 0 BEADMN CC(C)CCN(C)Cc1cn2cccnc2n1 ZINC000193568368 388377849 /nfs/dbraw/zinc/37/78/49/388377849.db2.gz VYTWXWRGMQJXHP-UHFFFAOYSA-N 0 1 232.331 2.207 20 0 BEADMN Cc1cnc(CNC[C@H](O)c2ccccc2)s1 ZINC000294894560 388405845 /nfs/dbraw/zinc/40/58/45/388405845.db2.gz YPHHHSFDHLAMPB-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN O[C@H](CNCc1c(F)cccc1F)C1CCC1 ZINC000316119562 388405858 /nfs/dbraw/zinc/40/58/58/388405858.db2.gz GAVSYZZZGOOOKL-CYBMUJFWSA-N 0 1 241.281 2.215 20 0 BEADMN C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(=O)[O-] ZINC000572889226 388384484 /nfs/dbraw/zinc/38/44/84/388384484.db2.gz FDEFPRKJWNKYJW-JTQLQIEISA-N 0 1 233.311 2.253 20 0 BEADMN CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236905558 388386045 /nfs/dbraw/zinc/38/60/45/388386045.db2.gz GQDQFOYHSQDZHR-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN CCc1ccc(CNCc2cncnc2)s1 ZINC000163791884 388386335 /nfs/dbraw/zinc/38/63/35/388386335.db2.gz WSCMDHIGPZWHHQ-UHFFFAOYSA-N 0 1 233.340 2.390 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000572901745 388386741 /nfs/dbraw/zinc/38/67/41/388386741.db2.gz ZLZWTBUERUGZSI-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN COC[C@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293531679 388389348 /nfs/dbraw/zinc/38/93/48/388389348.db2.gz JLPXBVWOVZIVJN-SECBINFHSA-N 0 1 243.734 2.418 20 0 BEADMN CC[N@@H+](C)CCNCc1cccc(O)c1Cl ZINC000293460319 388389365 /nfs/dbraw/zinc/38/93/65/388389365.db2.gz DCVYJWDAUZJQNV-UHFFFAOYSA-N 0 1 242.750 2.087 20 0 BEADMN COCCN(Cc1cncs1)CC1(C)CC1 ZINC000572929398 388389423 /nfs/dbraw/zinc/38/94/23/388389423.db2.gz GNQRPPOLUHAMCL-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN COC[C@@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293531680 388389509 /nfs/dbraw/zinc/38/95/09/388389509.db2.gz JLPXBVWOVZIVJN-VIFPVBQESA-N 0 1 243.734 2.418 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000174372120 177756525 /nfs/dbraw/zinc/75/65/25/177756525.db2.gz RGUHOGXOAAJXKC-PWSUYJOCSA-N 0 1 233.315 2.123 20 0 BEADMN CSc1ccc(CNCc2cncn2C)cc1 ZINC000237327919 388392568 /nfs/dbraw/zinc/39/25/68/388392568.db2.gz PWEHVYHWXONAOG-UHFFFAOYSA-N 0 1 247.367 2.432 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000174372151 388397655 /nfs/dbraw/zinc/39/76/55/388397655.db2.gz RGUHOGXOAAJXKC-CMPLNLGQSA-N 0 1 233.315 2.123 20 0 BEADMN Cc1ccc(CNCc2cncn2C)cc1F ZINC000237750679 388398167 /nfs/dbraw/zinc/39/81/67/388398167.db2.gz NRVHNJXFLSFEAM-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN C[C@@H](O)[C@@H](C)Nc1ccc2cnccc2c1 ZINC000520570070 256675055 /nfs/dbraw/zinc/67/50/55/256675055.db2.gz KSFXSEIQPHENIY-NXEZZACHSA-N 0 1 216.284 2.416 20 0 BEADMN Cc1nnsc1CN(C)[C@H](C)C1CC1 ZINC000572964320 388400709 /nfs/dbraw/zinc/40/07/09/388400709.db2.gz GLOKFHAFWNYZKV-MRVPVSSYSA-N 0 1 211.334 2.077 20 0 BEADMN Cc1cc(C[N@H+](CCO)C(C)C)cs1 ZINC000294535608 388401604 /nfs/dbraw/zinc/40/16/04/388401604.db2.gz IAGDQCLECSWTNX-UHFFFAOYSA-N 0 1 213.346 2.259 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000165506655 388403335 /nfs/dbraw/zinc/40/33/35/388403335.db2.gz IUIGJNIPTAAOAC-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN O=C(/C=C\C1CCC1)N1CCN(C2CCC2)CC1 ZINC000492069639 388333649 /nfs/dbraw/zinc/33/36/49/388333649.db2.gz MREKTMSEKULDIS-FPLPWBNLSA-N 0 1 248.370 2.039 20 0 BEADMN CC[C@@](C)(CNCc1nc(C)cs1)OC ZINC000322630388 388442208 /nfs/dbraw/zinc/44/22/08/388442208.db2.gz QSGUJZVCBQSNAF-NSHDSACASA-N 0 1 228.361 2.356 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1C(C)=CCC[C@H]1C ZINC000525999928 388453693 /nfs/dbraw/zinc/45/36/93/388453693.db2.gz QPQJBIJGFCHMMN-UPJWGTAASA-N 0 1 239.359 2.472 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCC[C@@H]1C1CCC1 ZINC000649197837 388455702 /nfs/dbraw/zinc/45/57/02/388455702.db2.gz WCAIGQURWFTWDW-GFCCVEGCSA-N 0 1 233.315 2.205 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1ccn(C(C)C)n1 ZINC000336720585 388467746 /nfs/dbraw/zinc/46/77/46/388467746.db2.gz WZMZGTZSLIMKBP-GFCCVEGCSA-N 0 1 239.363 2.057 20 0 BEADMN COC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000193891034 388469405 /nfs/dbraw/zinc/46/94/05/388469405.db2.gz TWINZLTWFBCGLC-SNVBAGLBSA-N 0 1 211.280 2.292 20 0 BEADMN COC(=O)c1occc1CN[C@H]1CCC1(C)C ZINC000336725000 388470106 /nfs/dbraw/zinc/47/01/06/388470106.db2.gz ZUDZFKWBQVMBHE-JTQLQIEISA-N 0 1 237.299 2.344 20 0 BEADMN CCN(CC(=O)Nc1cccc(F)c1)C(C)C ZINC000194090454 388477080 /nfs/dbraw/zinc/47/70/80/388477080.db2.gz BIRZZLKOVYKOGP-UHFFFAOYSA-N 0 1 238.306 2.495 20 0 BEADMN C[C@H](N(C)Cc1cnc(Cl)s1)C(C)(C)O ZINC000295238211 388410705 /nfs/dbraw/zinc/41/07/05/388410705.db2.gz XUYHWNSEGDOYKV-ZETCQYMHSA-N 0 1 248.779 2.388 20 0 BEADMN CO[C@H](CNCc1ncc(C)s1)C(C)C ZINC000295846200 388411702 /nfs/dbraw/zinc/41/17/02/388411702.db2.gz WEEJUTPQQWXOPH-SNVBAGLBSA-N 0 1 228.361 2.212 20 0 BEADMN CCOC(=O)[C@@H](CC(C)C)N1[C@H](C)C[C@@H]1C ZINC000573055867 388413076 /nfs/dbraw/zinc/41/30/76/388413076.db2.gz UBWWZXXAHQNENQ-GRYCIOLGSA-N 0 1 227.348 2.447 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1[C@H](C)C[C@@H]1C ZINC000573055869 388413546 /nfs/dbraw/zinc/41/35/46/388413546.db2.gz UBWWZXXAHQNENQ-TUAOUCFPSA-N 0 1 227.348 2.447 20 0 BEADMN CC(C)CSCCN[C@H]1CCn2ccnc21 ZINC000296766613 388426182 /nfs/dbraw/zinc/42/61/82/388426182.db2.gz KJQOTMXTMQKABZ-NSHDSACASA-N 0 1 239.388 2.307 20 0 BEADMN Fc1cccc(OCCSc2cn[nH]n2)c1 ZINC000177372406 388481925 /nfs/dbraw/zinc/48/19/25/388481925.db2.gz CTNFWMLONZTVSE-UHFFFAOYSA-N 0 1 239.275 2.115 20 0 BEADMN CO[C@H]1C[C@@H](N(C)C/C=C(/C)Cl)C1 ZINC000528508586 388538572 /nfs/dbraw/zinc/53/85/72/388538572.db2.gz QMQDTVRJOYCTKC-NOQGZOHOSA-N 0 1 203.713 2.238 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000517172213 388540914 /nfs/dbraw/zinc/54/09/14/388540914.db2.gz UZFMMTOHNZADPT-GHMZBOCLSA-N 0 1 237.347 2.093 20 0 BEADMN C/C(Cl)=C/C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000528523914 388542474 /nfs/dbraw/zinc/54/24/74/388542474.db2.gz JPGNABQIWVDZHV-VIIRKEGASA-N 0 1 229.751 2.222 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1ncccc1Cl ZINC000528521561 388542754 /nfs/dbraw/zinc/54/27/54/388542754.db2.gz OTGAQSMZJJMSGW-PWSUYJOCSA-N 0 1 240.734 2.392 20 0 BEADMN CC[C@H]1COC[C@@H]1NCc1ncccc1Cl ZINC000528548335 388546334 /nfs/dbraw/zinc/54/63/34/388546334.db2.gz BQBRULDGWRTLCG-CABZTGNLSA-N 0 1 240.734 2.250 20 0 BEADMN Cc1nocc1CNC[C@H](C)C(F)(F)F ZINC000339361278 388482236 /nfs/dbraw/zinc/48/22/36/388482236.db2.gz ONWCHVPPNKKMTF-LURJTMIESA-N 0 1 222.210 2.271 20 0 BEADMN CC(C)CCN(C)[C@@H](C)C(=O)OC(C)C ZINC000177490788 388484902 /nfs/dbraw/zinc/48/49/02/388484902.db2.gz KJZNVVIKOWWYQO-NSHDSACASA-N 0 1 215.337 2.304 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1C1CCCC1 ZINC000547837043 388491130 /nfs/dbraw/zinc/49/11/30/388491130.db2.gz XJIJBEWEEBYYCQ-CMPLNLGQSA-N 0 1 225.332 2.203 20 0 BEADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC000135339789 388492845 /nfs/dbraw/zinc/49/28/45/388492845.db2.gz VYMFCIXSISILOE-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)CN(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000646776066 388497287 /nfs/dbraw/zinc/49/72/87/388497287.db2.gz FYAOQGLHKHUHDR-ZYHUDNBSSA-N 0 1 249.358 2.190 20 0 BEADMN CCC[C@@H](NCC(F)(F)CO)[C@@H]1CC1(C)C ZINC000397760811 388497470 /nfs/dbraw/zinc/49/74/70/388497470.db2.gz KZAULYTUGLAEBW-VHSXEESVSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@H](NCC(F)(F)CO)[C@@H]1CC1(C)C ZINC000397771711 388497821 /nfs/dbraw/zinc/49/78/21/388497821.db2.gz VAMNKYFOYDIQPL-IUCAKERBSA-N 0 1 221.291 2.028 20 0 BEADMN O=C(CC1=CCCCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000517387800 388548956 /nfs/dbraw/zinc/54/89/56/388548956.db2.gz KZHDBTWIACYEDP-OKILXGFUSA-N 0 1 248.370 2.230 20 0 BEADMN Fc1ccc(CNCC2=CCCOC2)c(F)c1 ZINC000343895873 388503805 /nfs/dbraw/zinc/50/38/05/388503805.db2.gz LBYRUUFOKXDNJB-UHFFFAOYSA-N 0 1 239.265 2.401 20 0 BEADMN CC1(C)CC(CNc2ncnc3[nH]cnc32)C1 ZINC000548036821 388505560 /nfs/dbraw/zinc/50/55/60/388505560.db2.gz UWPRHTOCJBDZKB-UHFFFAOYSA-N 0 1 231.303 2.153 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000548096190 388510632 /nfs/dbraw/zinc/51/06/32/388510632.db2.gz DOFMJXQQBZMLJS-AXFHLTTASA-N 0 1 226.364 2.162 20 0 BEADMN CC(C)CCNC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000548097983 388511683 /nfs/dbraw/zinc/51/16/83/388511683.db2.gz YAWPQGUIMXMQIU-GRYCIOLGSA-N 0 1 226.364 2.020 20 0 BEADMN C[C@@H]1C[C@H](NCCc2cscn2)c2nccn21 ZINC000345347700 388512135 /nfs/dbraw/zinc/51/21/35/388512135.db2.gz FCLJQPFLLHYYQQ-KOLCDFICSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCCCO1 ZINC000345348411 388512690 /nfs/dbraw/zinc/51/26/90/388512690.db2.gz FQWHHFHCACEHDN-YVECIDJPSA-N 0 1 249.358 2.436 20 0 BEADMN CCN(CC(=O)N(C)[C@H](C)CC(C)C)C1CC1 ZINC000079955110 388549566 /nfs/dbraw/zinc/54/95/66/388549566.db2.gz IONULISYGHIWIM-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nccc(NC[C@@H]2CC[C@@H](C)O2)c1Cl ZINC000398053034 388517123 /nfs/dbraw/zinc/51/71/23/388517123.db2.gz GNODTJKJWKNGHM-SCZZXKLOSA-N 0 1 240.734 2.445 20 0 BEADMN Cc1ccccc1CNC(=O)CN1[C@@H](C)C[C@@H]1C ZINC000517004546 256811452 /nfs/dbraw/zinc/81/14/52/256811452.db2.gz DLPUEURDAMAPCM-STQMWFEESA-N 0 1 246.354 2.094 20 0 BEADMN CCN(Cc1ncccc1Cl)CC(C)(C)O ZINC000528382143 388517590 /nfs/dbraw/zinc/51/75/90/388517590.db2.gz OXMLPMKDUUQSNC-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C(C)(C)O ZINC000378853882 388521801 /nfs/dbraw/zinc/52/18/01/388521801.db2.gz IGGOJUPUTIZXQL-MRVPVSSYSA-N 0 1 243.734 2.295 20 0 BEADMN C/C(Cl)=C/CN1CC[C@@H](O)C(C)(C)C1 ZINC000528478712 388526626 /nfs/dbraw/zinc/52/66/26/388526626.db2.gz ZPUPAPHYOWDEIX-ZUYFITGHSA-N 0 1 217.740 2.222 20 0 BEADMN C/C(Cl)=C/CN1CCOCC2(CC2)C1 ZINC000528442865 388526840 /nfs/dbraw/zinc/52/68/40/388526840.db2.gz MKSMBMUSYYXHMI-SGAXSIHGSA-N 0 1 215.724 2.241 20 0 BEADMN C/C(Cl)=C/CN(C)C[C@H]1CCCO1 ZINC000528449366 388527260 /nfs/dbraw/zinc/52/72/60/388527260.db2.gz LFAQBRWNTUVKGW-HYHWUIIZSA-N 0 1 203.713 2.240 20 0 BEADMN COC[C@H](NCc1ncccc1Cl)C(C)C ZINC000528443325 388528014 /nfs/dbraw/zinc/52/80/14/388528014.db2.gz XZXMMYINROAPHH-LBPRGKRZSA-N 0 1 242.750 2.496 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000516975862 388530239 /nfs/dbraw/zinc/53/02/39/388530239.db2.gz KYJAMHCKVVZQLA-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN CC1(C)CC(CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC000548384744 388532196 /nfs/dbraw/zinc/53/21/96/388532196.db2.gz DCWFQFGCBGQISC-UHFFFAOYSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(C)(C)C1 ZINC000517040759 388534758 /nfs/dbraw/zinc/53/47/58/388534758.db2.gz XJFDSGMFSZBUTK-SNVBAGLBSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000517042103 388536184 /nfs/dbraw/zinc/53/61/84/388536184.db2.gz LUMLJKMISIZAAQ-UVMWJGKXSA-N 0 1 233.311 2.495 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000082791322 388587717 /nfs/dbraw/zinc/58/77/17/388587717.db2.gz DTGYUGZKDKVJOT-UHFFFAOYSA-N 0 1 239.702 2.173 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000549727742 388589169 /nfs/dbraw/zinc/58/91/69/388589169.db2.gz XENBTJVLSIJDCN-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN COC(=O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000186047690 388596943 /nfs/dbraw/zinc/59/69/43/388596943.db2.gz PRWGYAXRHSNLDR-OAHLLOKOSA-N 0 1 247.338 2.257 20 0 BEADMN C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C1CC1 ZINC000296747782 388603242 /nfs/dbraw/zinc/60/32/42/388603242.db2.gz BIXVGNXILIAQIM-SSDOTTSWSA-N 0 1 247.273 2.230 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCCCF ZINC000530164997 388618003 /nfs/dbraw/zinc/61/80/03/388618003.db2.gz CTBBMJUZWXSLHT-LLVKDONJSA-N 0 1 241.262 2.013 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@H]2CCCCO2)on1 ZINC000379305033 388606593 /nfs/dbraw/zinc/60/65/93/388606593.db2.gz SQIHCRSYUQETHG-CMPLNLGQSA-N 0 1 224.304 2.030 20 0 BEADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CN(C)C ZINC000550456809 388608915 /nfs/dbraw/zinc/60/89/15/388608915.db2.gz GGWUSHGISIYMQU-JHJVBQTASA-N 0 1 240.391 2.125 20 0 BEADMN C[C@@H](CN(C)CN1CCC1=O)C1CCCCC1 ZINC000530106894 388609047 /nfs/dbraw/zinc/60/90/47/388609047.db2.gz AHEHJIWSLHJNFR-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H]1CCN(CC(=O)OC(C)(C)C)C[C@H]1C ZINC000245969343 388612479 /nfs/dbraw/zinc/61/24/79/388612479.db2.gz WBWUZEVRXFSVHO-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](C)CN1CC2CC1(c1nc(C)no1)C2 ZINC000528621170 388552658 /nfs/dbraw/zinc/55/26/58/388552658.db2.gz JASAFERFCHYPMR-CBZQXFMTSA-N 0 1 235.331 2.345 20 0 BEADMN c1n[nH]cc1CCN=c1[nH]c2ccccc2s1 ZINC000357618606 388552688 /nfs/dbraw/zinc/55/26/88/388552688.db2.gz AOWFJPRZAPHQEJ-UHFFFAOYSA-N 0 1 244.323 2.096 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1n[nH]c2ccccc21 ZINC000080116416 388552801 /nfs/dbraw/zinc/55/28/01/388552801.db2.gz FSOLTAMPKYIIAD-JTQLQIEISA-N 0 1 241.294 2.401 20 0 BEADMN O=C(NCC1CCCC1)[C@H]1CCCc2[nH]cnc21 ZINC000548738436 388556051 /nfs/dbraw/zinc/55/60/51/388556051.db2.gz HOYIBHWFIJDDJP-NSHDSACASA-N 0 1 247.342 2.136 20 0 BEADMN Fc1ccc(F)c(CCNCc2ncc[nH]2)c1 ZINC000080245948 388556233 /nfs/dbraw/zinc/55/62/33/388556233.db2.gz WQSOLJYHXIFKJR-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN Cl/C=C/CN1CCc2nc(C3CC3)ncc2C1 ZINC000528736049 388563956 /nfs/dbraw/zinc/56/39/56/388563956.db2.gz BBZZPUADCUNZOV-ORCRQEGFSA-N 0 1 249.745 2.465 20 0 BEADMN CCCNC(=O)CN(CC)Cc1ccc(C)cc1 ZINC000521221560 388565682 /nfs/dbraw/zinc/56/56/82/388565682.db2.gz LAIUTKRFVVLQFJ-UHFFFAOYSA-N 0 1 248.370 2.343 20 0 BEADMN CC[C@@H](F)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000521257664 388567303 /nfs/dbraw/zinc/56/73/03/388567303.db2.gz NZEIYVGBDNDSQL-ZJUUUORDSA-N 0 1 219.300 2.166 20 0 BEADMN Cc1cncc([C@@H](C)NCC[NH+]2CCCC2)c1 ZINC000184258475 388575645 /nfs/dbraw/zinc/57/56/45/388575645.db2.gz HMYMJMLJVHLKGJ-CYBMUJFWSA-N 0 1 233.359 2.136 20 0 BEADMN CC[C@@H](CN[C@@H](C)c1ncccc1F)OC ZINC000528822417 388576395 /nfs/dbraw/zinc/57/63/95/388576395.db2.gz DKXZGEPDSFYURM-UWVGGRQHSA-N 0 1 226.295 2.296 20 0 BEADMN C[C@H](NCCCF)c1ncccc1F ZINC000528829020 388577535 /nfs/dbraw/zinc/57/75/35/388577535.db2.gz NSUUGQHNLXEBRW-QMMMGPOBSA-N 0 1 200.232 2.231 20 0 BEADMN COc1ccc([C@@H](NCCF)C2CC2)cn1 ZINC000528848229 388578429 /nfs/dbraw/zinc/57/84/29/388578429.db2.gz AJUIAEJKDKYTIR-LBPRGKRZSA-N 0 1 224.279 2.100 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H](C)c2ccco2)[nH]1 ZINC000528842234 388578859 /nfs/dbraw/zinc/57/88/59/388578859.db2.gz ZSSIKFTXZDUTPN-MRVPVSSYSA-N 0 1 248.286 2.092 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H](C)c2ccco2)n1 ZINC000528842234 388578861 /nfs/dbraw/zinc/57/88/61/388578861.db2.gz ZSSIKFTXZDUTPN-MRVPVSSYSA-N 0 1 248.286 2.092 20 0 BEADMN CCCN(Cc1snnc1C)C(C)C ZINC000521065410 256834369 /nfs/dbraw/zinc/83/43/69/256834369.db2.gz UEIPFDCDYDWOCC-UHFFFAOYSA-N 0 1 213.350 2.467 20 0 BEADMN CC[C@H](NCc1ncc(Cl)s1)[C@H](C)O ZINC000387442146 388581557 /nfs/dbraw/zinc/58/15/57/388581557.db2.gz PQSQTKKZUWJVQH-BQBZGAKWSA-N 0 1 234.752 2.046 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000077253429 388582515 /nfs/dbraw/zinc/58/25/15/388582515.db2.gz NSUBSLGQLGFFBB-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CC[C@H](F)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000521257662 256838324 /nfs/dbraw/zinc/83/83/24/256838324.db2.gz NZEIYVGBDNDSQL-UWVGGRQHSA-N 0 1 219.300 2.166 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(C)nc1 ZINC000124880920 388666891 /nfs/dbraw/zinc/66/68/91/388666891.db2.gz IIRPOXBSGZXCPN-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN COCCOCCCCNc1cc(C)ccn1 ZINC000125030586 388667817 /nfs/dbraw/zinc/66/78/17/388667817.db2.gz BGEGBSBBUVLLKK-UHFFFAOYSA-N 0 1 238.331 2.245 20 0 BEADMN CC[C@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000125567439 388672973 /nfs/dbraw/zinc/67/29/73/388672973.db2.gz RWIIKHYDWIPMRU-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC1=CCCCC1 ZINC000522015570 388674947 /nfs/dbraw/zinc/67/49/47/388674947.db2.gz XMARBAUDWUVMPO-JTQLQIEISA-N 0 1 211.305 2.282 20 0 BEADMN CS[C@@H]1CCCCN(Cc2ncccn2)C1 ZINC000192120841 388674961 /nfs/dbraw/zinc/67/49/61/388674961.db2.gz ZUGDOIFLRXZPSN-LLVKDONJSA-N 0 1 237.372 2.194 20 0 BEADMN COC(C)(C)CN(C)Cc1ccc(F)cn1 ZINC000564388572 388676250 /nfs/dbraw/zinc/67/62/50/388676250.db2.gz DDTDEQQMBXOMSA-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN CC[C@H](F)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530172771 388620060 /nfs/dbraw/zinc/62/00/60/388620060.db2.gz AHKIVHQRDQLCMQ-VLEAKVRGSA-N 0 1 231.311 2.308 20 0 BEADMN C[C@H]1CC(F)(F)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000530174067 388620743 /nfs/dbraw/zinc/62/07/43/388620743.db2.gz TUXGDCBIANTWTC-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN Cc1ccc2ncc(CN[C@@H](C)CF)n2c1 ZINC000288455025 388627295 /nfs/dbraw/zinc/62/72/95/388627295.db2.gz NLKQZFACFIVYRY-JTQLQIEISA-N 0 1 221.279 2.090 20 0 BEADMN C[C@H]1SCCN(CCOCC(F)F)[C@H]1C ZINC000189356523 388628870 /nfs/dbraw/zinc/62/88/70/388628870.db2.gz BCPQPUOKVPYRLC-DTWKUNHWSA-N 0 1 239.331 2.094 20 0 BEADMN C[C@@H](NCc1cc[nH]c1)C(=O)Nc1ccccc1 ZINC000086253676 388684400 /nfs/dbraw/zinc/68/44/00/388684400.db2.gz RIQCSMAJEUSBNM-LLVKDONJSA-N 0 1 243.310 2.132 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1CCOCC(F)F ZINC000189356457 388631440 /nfs/dbraw/zinc/63/14/40/388631440.db2.gz BCPQPUOKVPYRLC-BDAKNGLRSA-N 0 1 239.331 2.094 20 0 BEADMN Cc1noc(C)c1CN1CC[C@@H](OC(C)C)C1 ZINC000521868837 388636857 /nfs/dbraw/zinc/63/68/57/388636857.db2.gz UDBGMISIODPIDL-GFCCVEGCSA-N 0 1 238.331 2.291 20 0 BEADMN CCN(C)[C@H](C(=O)N(C)C1CC1)c1ccccc1 ZINC000057915049 388639357 /nfs/dbraw/zinc/63/93/57/388639357.db2.gz CCWFMTAUVLRBAH-AWEZNQCLSA-N 0 1 246.354 2.300 20 0 BEADMN CCN(CCOC)Cc1cnc(C2CC2)s1 ZINC000551936599 388648422 /nfs/dbraw/zinc/64/84/22/388648422.db2.gz HGLXYGOJZDWNBT-UHFFFAOYSA-N 0 1 240.372 2.489 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCSC[C@H](C)C1 ZINC000190456050 388651258 /nfs/dbraw/zinc/65/12/58/388651258.db2.gz NJVHPQCGYOOCPE-MNOVXSKESA-N 0 1 245.388 2.013 20 0 BEADMN CCc1ccccc1CNCc1cnccn1 ZINC000084200723 388654124 /nfs/dbraw/zinc/65/41/24/388654124.db2.gz XSFOJGFDAAJVMD-UHFFFAOYSA-N 0 1 227.311 2.329 20 0 BEADMN COC(=O)[C@@H]1CCCN1C[C@@H](C)c1ccccc1 ZINC000247071230 388658539 /nfs/dbraw/zinc/65/85/39/388658539.db2.gz KTLCHDHJSQEXNH-OCCSQVGLSA-N 0 1 247.338 2.428 20 0 BEADMN Cc1ccsc1CN1CCN(C2CC2)CC1 ZINC000127931403 388734352 /nfs/dbraw/zinc/73/43/52/388734352.db2.gz RZVVTWABVBEUHE-UHFFFAOYSA-N 0 1 236.384 2.337 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCC[C@H](C)C1 ZINC000092795343 388736857 /nfs/dbraw/zinc/73/68/57/388736857.db2.gz VINGPGKSMCRQGJ-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CCN(Cc1nc(C)no1)[C@H](C)C(C)C ZINC000067661224 388738236 /nfs/dbraw/zinc/73/82/36/388738236.db2.gz ADDMNWQGADTASF-SECBINFHSA-N 0 1 211.309 2.244 20 0 BEADMN Cc1cc(CC(=O)NC[C@H]2CCC[C@H](C)C2)[nH]n1 ZINC000126053598 388687410 /nfs/dbraw/zinc/68/74/10/388687410.db2.gz UVYMUXFJQZMIDS-JQWIXIFHSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@H]1NCC(F)(F)CO ZINC000248712953 388690493 /nfs/dbraw/zinc/69/04/93/388690493.db2.gz JSYDWYSHBFLVBO-GMTAPVOTSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000126287890 388693839 /nfs/dbraw/zinc/69/38/39/388693839.db2.gz BDDHDNLGWQWTED-ZJUUUORDSA-N 0 1 240.347 2.136 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000195254375 388702243 /nfs/dbraw/zinc/70/22/43/388702243.db2.gz YTMDBMREJOPZLQ-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN(Cc1cnc(C)s1)C[C@H]1CCCO1 ZINC000126820788 388704758 /nfs/dbraw/zinc/70/47/58/388704758.db2.gz MHTAKYVJTRTYJS-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCN(Cc1cnc(C)s1)C[C@@H]1CCCO1 ZINC000126820550 388704944 /nfs/dbraw/zinc/70/49/44/388704944.db2.gz MHTAKYVJTRTYJS-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000249089674 388707856 /nfs/dbraw/zinc/70/78/56/388707856.db2.gz CVALLJVKTWZBRL-NHYWBVRUSA-N 0 1 231.405 2.408 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCS[C@H](C)CC1 ZINC000249132958 388710399 /nfs/dbraw/zinc/71/03/99/388710399.db2.gz YHGPJUTYLSUMLY-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN C1CO[C@@H](c2noc([C@H]3CCCCCN3)n2)C1 ZINC000087800886 388713398 /nfs/dbraw/zinc/71/33/98/388713398.db2.gz VEVCENGZHPMEHI-NXEZZACHSA-N 0 1 237.303 2.126 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127112287 388715163 /nfs/dbraw/zinc/71/51/63/388715163.db2.gz WWTNOOWPCBRALG-GFCCVEGCSA-N 0 1 244.342 2.351 20 0 BEADMN CC[C@@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000127112287 388715167 /nfs/dbraw/zinc/71/51/67/388715167.db2.gz WWTNOOWPCBRALG-GFCCVEGCSA-N 0 1 244.342 2.351 20 0 BEADMN C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)N(C)C2CC2)C1 ZINC000193841098 388717054 /nfs/dbraw/zinc/71/70/54/388717054.db2.gz HFPCOKZBDZOCDZ-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nnc(CN(CC2CC2)C(C)C)o1 ZINC000552501967 388718565 /nfs/dbraw/zinc/71/85/65/388718565.db2.gz MGZPHAPCZZXEEV-UHFFFAOYSA-N 0 1 223.320 2.252 20 0 BEADMN CCN(Cc1nncn1C)[C@@H]1CCCC[C@H]1C ZINC000249429510 388722160 /nfs/dbraw/zinc/72/21/60/388722160.db2.gz YUTDSASOEGCKLK-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@H](c1ccccc1)N1C[C@@H](C)O[C@H](CO)C1 ZINC000249498652 388723770 /nfs/dbraw/zinc/72/37/70/388723770.db2.gz WRGFSPBAEHUWPT-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1cccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000249555807 388726973 /nfs/dbraw/zinc/72/69/73/388726973.db2.gz JQYQFFLJDUQOFN-OCCSQVGLSA-N 0 1 246.354 2.081 20 0 BEADMN CCc1nc(CNC(C)(C)COC)cs1 ZINC000066995931 388727123 /nfs/dbraw/zinc/72/71/23/388727123.db2.gz XAOMJQWJUPEVIP-UHFFFAOYSA-N 0 1 228.361 2.220 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)cc1 ZINC000249606522 388730016 /nfs/dbraw/zinc/73/00/16/388730016.db2.gz ZVYITHLQKYGNDK-OCCSQVGLSA-N 0 1 246.354 2.081 20 0 BEADMN Cc1noc([C@H](C)NC[C@H]2Cc3ccccc32)n1 ZINC000553910172 388792223 /nfs/dbraw/zinc/79/22/23/388792223.db2.gz GCHKZSFSRCBVFR-JOYOIKCWSA-N 0 1 243.310 2.369 20 0 BEADMN CCN(CCOC)Cc1ccc(Cl)cn1 ZINC000554281917 388807254 /nfs/dbraw/zinc/80/72/54/388807254.db2.gz RWPYOKOZMBVPRG-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN COC(=O)c1occc1CNC1(C2CC2)CC1 ZINC000540612050 388811606 /nfs/dbraw/zinc/81/16/06/388811606.db2.gz FCYHMGUDPVWWMX-UHFFFAOYSA-N 0 1 235.283 2.098 20 0 BEADMN Cc1[nH]ncc1CNc1cc(Cl)nc(C)n1 ZINC000227871831 388760949 /nfs/dbraw/zinc/76/09/49/388760949.db2.gz QJNFFCOFXHFBBK-UHFFFAOYSA-N 0 1 237.694 2.082 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](COC)c1ccccc1 ZINC000554373501 388812291 /nfs/dbraw/zinc/81/22/91/388812291.db2.gz HSPVVFCITFDWTM-MGPQQGTHSA-N 0 1 235.327 2.141 20 0 BEADMN CC(=O)Nc1ccc(CN[C@H](C)CF)cc1 ZINC000288523113 388778824 /nfs/dbraw/zinc/77/88/24/388778824.db2.gz UWDCBLXEHNWXKL-SECBINFHSA-N 0 1 224.279 2.093 20 0 BEADMN C[C@@H](N[C@@H](C)c1cscn1)[C@H]1CCCO1 ZINC000252789045 388784881 /nfs/dbraw/zinc/78/48/81/388784881.db2.gz WQWOEWQMCUONAP-IQJOONFLSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1csc(CN(C)C[C@@H]2CCC[C@H]2O)n1 ZINC000270059172 388790843 /nfs/dbraw/zinc/79/08/43/388790843.db2.gz GTLXCPPRNLJNJS-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1csc(C)n1 ZINC000230639783 388827796 /nfs/dbraw/zinc/82/77/96/388827796.db2.gz RHZIWDCDRGGQDR-HTQZYQBOSA-N 0 1 214.334 2.137 20 0 BEADMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cccn1CC ZINC000556165998 388869744 /nfs/dbraw/zinc/86/97/44/388869744.db2.gz VDKQUIFZHFVZOH-CYBMUJFWSA-N 0 1 235.375 2.034 20 0 BEADMN Cc1oncc1CN(C)CCc1ccccn1 ZINC000129485959 388846140 /nfs/dbraw/zinc/84/61/40/388846140.db2.gz UOYCTINRFAFREE-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000564575609 388879399 /nfs/dbraw/zinc/87/93/99/388879399.db2.gz GEZATAPLWPVVTR-WDEREUQCSA-N 0 1 223.316 2.116 20 0 BEADMN Cc1ccc2nc([C@H]3CCCN3C(N)=O)[nH]c2c1 ZINC000564670348 388883024 /nfs/dbraw/zinc/88/30/24/388883024.db2.gz NPQSAPTXPWZKMN-LLVKDONJSA-N 0 1 244.298 2.087 20 0 BEADMN CC1(CC(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000564699605 388885229 /nfs/dbraw/zinc/88/52/29/388885229.db2.gz LNGUEZUZKOXSQN-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CC1(CC(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC000564699605 388885232 /nfs/dbraw/zinc/88/52/32/388885232.db2.gz LNGUEZUZKOXSQN-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564963959 388903120 /nfs/dbraw/zinc/90/31/20/388903120.db2.gz MRLNZFOZQNCAMY-QWRGUYRKSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564963960 388902071 /nfs/dbraw/zinc/90/20/71/388902071.db2.gz MRLNZFOZQNCAMY-WDEREUQCSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCCF)C[C@@H]1C(=O)[O-] ZINC000564964919 388902200 /nfs/dbraw/zinc/90/22/00/388902200.db2.gz FPFAPWWEOBSIAT-MNOVXSKESA-N 0 1 231.311 2.169 20 0 BEADMN COc1ccc(CN2CC[C@H](SC)C2)nc1 ZINC000556307024 388874820 /nfs/dbraw/zinc/87/48/20/388874820.db2.gz KHFJUNQRWUNVIG-LBPRGKRZSA-N 0 1 238.356 2.028 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565191518 388923922 /nfs/dbraw/zinc/92/39/22/388923922.db2.gz LNALSHXVVRKKPE-DMDPSCGWSA-N 0 1 249.358 2.378 20 0 BEADMN C[C@@]12C[N@@H+](CCCCC(=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000565253120 388932238 /nfs/dbraw/zinc/93/22/38/388932238.db2.gz GKRGNXYCZOMOQT-COMQUAJESA-N 0 1 249.354 2.385 20 0 BEADMN CC(C)OCCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000565251191 388932362 /nfs/dbraw/zinc/93/23/62/388932362.db2.gz UHGWYALYXYCFAD-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H]1CCN(CC(=O)NCC2(C)CCCC2)C1 ZINC000565725034 388963031 /nfs/dbraw/zinc/96/30/31/388963031.db2.gz MJBQITCWRMGABY-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@H](O)CNCc1cc(-c2ccccc2)on1 ZINC000566109758 388988343 /nfs/dbraw/zinc/98/83/43/388988343.db2.gz TWGKPWVGMBFLKF-ZDUSSCGKSA-N 0 1 246.310 2.202 20 0 BEADMN CCCc1nnc(NCc2cn[nH]c2C)s1 ZINC000268579388 389002947 /nfs/dbraw/zinc/00/29/47/389002947.db2.gz DTOFAFPYXBGVGG-UHFFFAOYSA-N 0 1 237.332 2.134 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2nccs2)C1(C)C ZINC000266648183 388997090 /nfs/dbraw/zinc/99/70/90/388997090.db2.gz XFIZNGBBHNNERM-BXKDBHETSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2nccs2)C1(C)C ZINC000266648184 388997293 /nfs/dbraw/zinc/99/72/93/388997293.db2.gz XFIZNGBBHNNERM-CABZTGNLSA-N 0 1 240.372 2.436 20 0 BEADMN c1nc(CN[C@H]2CCCc3cn[nH]c32)cs1 ZINC000268853576 389006295 /nfs/dbraw/zinc/00/62/95/389006295.db2.gz QHOLWBSWSOZQQE-JTQLQIEISA-N 0 1 234.328 2.033 20 0 BEADMN CC[C@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1O ZINC000270894768 389015904 /nfs/dbraw/zinc/01/59/04/389015904.db2.gz LUPGSNOHJLCHPC-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1cccnc1 ZINC000271543376 389020187 /nfs/dbraw/zinc/02/01/87/389020187.db2.gz RBWXJANKSFXFHJ-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](NCCO)c1c(F)cccc1Cl ZINC000271773995 389023031 /nfs/dbraw/zinc/02/30/31/389023031.db2.gz JIMNMSVONDCMJN-SSDOTTSWSA-N 0 1 217.671 2.122 20 0 BEADMN CCOCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274911224 389048755 /nfs/dbraw/zinc/04/87/55/389048755.db2.gz NDRWNTOPPBIXTH-VIFPVBQESA-N 0 1 228.723 2.422 20 0 BEADMN CC[C@H](O)CNC1(c2nc(C)cs2)CCC1 ZINC000275157961 389054305 /nfs/dbraw/zinc/05/43/05/389054305.db2.gz IFSAPLZYUHDOMQ-JTQLQIEISA-N 0 1 240.372 2.191 20 0 BEADMN Cc1nccc(N2CCC[C@@H](O)C2)c1Cl ZINC000309023478 132332181 /nfs/dbraw/zinc/33/21/81/132332181.db2.gz WLAOKJOCKLIYJA-SECBINFHSA-N 0 1 226.707 2.005 20 0 BEADMN CCCN(CCC)CC(=O)c1cccn1C ZINC000035022081 322822941 /nfs/dbraw/zinc/82/29/41/322822941.db2.gz RGLYROIBJOSIKX-UHFFFAOYSA-N 0 1 222.332 2.330 20 0 BEADMN Clc1cnccc1CN[C@H]1CCCOC1 ZINC000084085028 322832538 /nfs/dbraw/zinc/83/25/38/322832538.db2.gz IFIWUKXCTGGPFX-JTQLQIEISA-N 0 1 226.707 2.004 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)NCCN1CCC1 ZINC000533566800 322834625 /nfs/dbraw/zinc/83/46/25/322834625.db2.gz WUCXPSDGCLVUAV-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@H]1COCCN1c1ccnc2ccccc21 ZINC000264686775 132179269 /nfs/dbraw/zinc/17/92/69/132179269.db2.gz YEAXPDZUTWXUQL-NSHDSACASA-N 0 1 228.295 2.460 20 0 BEADMN OC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000301301864 132252784 /nfs/dbraw/zinc/25/27/84/132252784.db2.gz XZFPVJLGMMZDCE-UHFFFAOYSA-N 0 1 246.285 2.335 20 0 BEADMN Cc1nccc(N2CCC[C@@](C)(O)C2)c1Cl ZINC000309390803 132390212 /nfs/dbraw/zinc/39/02/12/132390212.db2.gz SFGHBKOKHZLWRU-GFCCVEGCSA-N 0 1 240.734 2.395 20 0 BEADMN Cc1nccc(N2CC[C@H](C)[C@@H](O)C2)c1Cl ZINC000309390593 132390571 /nfs/dbraw/zinc/39/05/71/132390571.db2.gz SENBWWDGLYFXKR-KWQFWETISA-N 0 1 240.734 2.251 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCCc2ccccc21 ZINC000070982426 132391217 /nfs/dbraw/zinc/39/12/17/132391217.db2.gz ATHRFJZJSLZSJF-UHFFFAOYSA-N 0 1 241.294 2.311 20 0 BEADMN CC(C)n1cc(CN2C[C@H]3CCCC[C@@H]3C2)nn1 ZINC000335134394 133796228 /nfs/dbraw/zinc/79/62/28/133796228.db2.gz ZBCABICDHBSLLD-CHWSQXEVSA-N 0 1 248.374 2.481 20 0 BEADMN Cc1noc(CN[C@@]2(C)CCCC[C@@H]2C)n1 ZINC000335403203 133856442 /nfs/dbraw/zinc/85/64/42/133856442.db2.gz IJALWDKMWZUGPH-CABZTGNLSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1cccc2ncc(CN(C)C3CC3)n21 ZINC000335940769 134017220 /nfs/dbraw/zinc/01/72/20/134017220.db2.gz OLECUZZVLAAZQQ-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN C[C@@H]1CCN(Cc2ncc[nH]2)CC12CCC2 ZINC000335946471 134020658 /nfs/dbraw/zinc/02/06/58/134020658.db2.gz RRDSKYVFBBIGHP-LLVKDONJSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000335947872 134020956 /nfs/dbraw/zinc/02/09/56/134020956.db2.gz SILKCNXHIZMSPA-ZDUSSCGKSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H](c1nncn1C)[N@H+]1CCCCC(C)(C)C1 ZINC000335959389 134024342 /nfs/dbraw/zinc/02/43/42/134024342.db2.gz UOKOSAQRNDYEIK-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN C[C@@H](c1nncn1C)N1CCCCC(C)(C)C1 ZINC000335959389 134024343 /nfs/dbraw/zinc/02/43/43/134024343.db2.gz UOKOSAQRNDYEIK-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN C[C@@H](c1nncn1C)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335959050 134024351 /nfs/dbraw/zinc/02/43/51/134024351.db2.gz GZDYFZBHAGNWHV-MNOVXSKESA-N 0 1 236.363 2.244 20 0 BEADMN C[C@@H](c1nncn1C)N1C[C@H](C)CC(C)(C)C1 ZINC000335959050 134024352 /nfs/dbraw/zinc/02/43/52/134024352.db2.gz GZDYFZBHAGNWHV-MNOVXSKESA-N 0 1 236.363 2.244 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000335980468 134037494 /nfs/dbraw/zinc/03/74/94/134037494.db2.gz ZADLZVUULIOMIE-ZWNOBZJWSA-N 0 1 233.315 2.062 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000335980771 134037734 /nfs/dbraw/zinc/03/77/34/134037734.db2.gz ZVRXUPRTZUSMBY-SNVBAGLBSA-N 0 1 235.331 2.161 20 0 BEADMN COCCN(Cc1cnccc1C)C1CC1 ZINC000352023440 134037935 /nfs/dbraw/zinc/03/79/35/134037935.db2.gz XRVVSRHQOYYAOV-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cc(C(=O)N2Cc3ccccc3[C@H]2C)n[nH]1 ZINC000335987242 134039041 /nfs/dbraw/zinc/03/90/41/134039041.db2.gz UTAMUFURCGGTRL-SNVBAGLBSA-N 0 1 241.294 2.435 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2(C)CC2)[C@H](C)C1 ZINC000335995866 134042305 /nfs/dbraw/zinc/04/23/05/134042305.db2.gz BQAKMUULLHBRTO-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352025881 134042661 /nfs/dbraw/zinc/04/26/61/134042661.db2.gz MANKEQFETPPPCN-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)n1cc(CN2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000335999506 134043669 /nfs/dbraw/zinc/04/36/69/134043669.db2.gz CSZBTIWLNPRTDL-VXGBXAGGSA-N 0 1 234.347 2.091 20 0 BEADMN Cc1cn[nH]c1CN[C@H]1COc2ccc(F)cc21 ZINC000336007088 134049458 /nfs/dbraw/zinc/04/94/58/134049458.db2.gz OPKWQWHQDLYNSJ-LBPRGKRZSA-N 0 1 247.273 2.081 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1Cc1ccon1 ZINC000336010888 134051329 /nfs/dbraw/zinc/05/13/29/134051329.db2.gz HILPVILOYCPOCU-SNVBAGLBSA-N 0 1 206.289 2.439 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cc1ccon1 ZINC000336010887 134051444 /nfs/dbraw/zinc/05/14/44/134051444.db2.gz HILPVILOYCPOCU-JTQLQIEISA-N 0 1 206.289 2.439 20 0 BEADMN C[C@H]1C[C@H](O)CN1c1ccnc2cc(F)ccc21 ZINC000336057159 134066749 /nfs/dbraw/zinc/06/67/49/134066749.db2.gz DMQRTYLPKBNOQI-ONGXEEELSA-N 0 1 246.285 2.333 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc2n[nH]cc21 ZINC000336066556 134070626 /nfs/dbraw/zinc/07/06/26/134070626.db2.gz KQQZOHNYSSZCQH-RKDXNWHRSA-N 0 1 229.283 2.186 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)ncn1 ZINC000336110041 134086001 /nfs/dbraw/zinc/08/60/01/134086001.db2.gz JAUOHVCJWHBRDV-PHIMTYICSA-N 0 1 237.372 2.111 20 0 BEADMN c1cc([C@@H]2CCCCN2C[C@H]2CCCO2)n[nH]1 ZINC000336130993 134094579 /nfs/dbraw/zinc/09/45/79/134094579.db2.gz MRQKKVYYKGKBMN-YPMHNXCESA-N 0 1 235.331 2.116 20 0 BEADMN CCN(Cc1cc(F)ccc1F)C[C@H](C)O ZINC000352202696 134101852 /nfs/dbraw/zinc/10/18/52/134101852.db2.gz LQYJNLKKHMVZQP-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN C[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000336157232 134106375 /nfs/dbraw/zinc/10/63/75/134106375.db2.gz RPNHZQOFENYQDI-NSHDSACASA-N 0 1 243.310 2.206 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000336178470 134117321 /nfs/dbraw/zinc/11/73/21/134117321.db2.gz XHAOSWNOIOPWTB-NXEZZACHSA-N 0 1 243.310 2.481 20 0 BEADMN C1=C(CN2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000336196131 134126366 /nfs/dbraw/zinc/12/63/66/134126366.db2.gz UIQKUHRUNAMXKK-BETUJISGSA-N 0 1 207.317 2.350 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1C=CCCC1 ZINC000336208497 134133198 /nfs/dbraw/zinc/13/31/98/134133198.db2.gz OBXNHPPQHWPASD-JSGCOSHPSA-N 0 1 244.338 2.220 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@H]2CO)c(C)c1 ZINC000336208637 134133600 /nfs/dbraw/zinc/13/36/00/134133600.db2.gz KBRVIFJSFLLRFD-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN COC[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000352297804 134139275 /nfs/dbraw/zinc/13/92/75/134139275.db2.gz PHJMYSUKWOFVJE-QMMMGPOBSA-N 0 1 217.696 2.400 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000173139479 134274098 /nfs/dbraw/zinc/27/40/98/134274098.db2.gz KKMSZUYWXDZLPL-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000174466243 134281712 /nfs/dbraw/zinc/28/17/12/134281712.db2.gz WNPPLLPETLJVAQ-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CCn1ccnc1CN1CC[C@H](C)[C@@H]1C ZINC000177879703 134303910 /nfs/dbraw/zinc/30/39/10/134303910.db2.gz ADSFQFBZMBHZFJ-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](C)[C@@H]1C ZINC000177879712 134304144 /nfs/dbraw/zinc/30/41/44/134304144.db2.gz ADSFQFBZMBHZFJ-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@@H]2C)o1 ZINC000177892619 134304234 /nfs/dbraw/zinc/30/42/34/134304234.db2.gz HLGXBAYWQSUWMK-CIUDSAMLSA-N 0 1 209.293 2.169 20 0 BEADMN CC(C)CSCCC[N@H+]1CCO[C@H](C)C1 ZINC000178569515 134311238 /nfs/dbraw/zinc/31/12/38/134311238.db2.gz MNDPSSYCONBVDE-GFCCVEGCSA-N 0 1 231.405 2.486 20 0 BEADMN CC(C)CSCCCN1CCO[C@H](C)C1 ZINC000178569515 134311239 /nfs/dbraw/zinc/31/12/39/134311239.db2.gz MNDPSSYCONBVDE-GFCCVEGCSA-N 0 1 231.405 2.486 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc2cc(C)ccn12 ZINC000179368903 134316563 /nfs/dbraw/zinc/31/65/63/134316563.db2.gz AOWWMLWAWRTQMN-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN COC[C@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000179373672 134316869 /nfs/dbraw/zinc/31/68/69/134316869.db2.gz GKPBBACMFVDJQN-NSHDSACASA-N 0 1 239.363 2.105 20 0 BEADMN CC[C@H](NC1CC(OC)C1)c1nccs1 ZINC000221178139 134316922 /nfs/dbraw/zinc/31/69/22/134316922.db2.gz INEISRRECQVRPN-RTBKNWGFSA-N 0 1 226.345 2.361 20 0 BEADMN CCc1ccc([C@@H](C)NCCn2cccn2)o1 ZINC000180432671 134327337 /nfs/dbraw/zinc/32/73/37/134327337.db2.gz NJQHEOFIBUVRQV-LLVKDONJSA-N 0 1 233.315 2.389 20 0 BEADMN Cc1nccc(CN[C@@H](C)CC(F)(F)F)n1 ZINC000222231262 134330718 /nfs/dbraw/zinc/33/07/18/134330718.db2.gz GSORNLWIYMEAKD-ZETCQYMHSA-N 0 1 233.237 2.216 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000181196593 134334011 /nfs/dbraw/zinc/33/40/11/134334011.db2.gz YDRBCWWYZMUQAL-RVMXOQNASA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)N(C)Cc1nc(N)c2ccccc2n1 ZINC000181457243 134336523 /nfs/dbraw/zinc/33/65/23/134336523.db2.gz QUDZYBPPXNGQRZ-JTQLQIEISA-N 0 1 244.342 2.442 20 0 BEADMN CC(C)OCCOc1ccccc1-c1nnc[nH]1 ZINC000181694545 134338684 /nfs/dbraw/zinc/33/86/84/134338684.db2.gz MBSKRRGDTSMOPO-UHFFFAOYSA-N 0 1 247.298 2.276 20 0 BEADMN C[C@@H](NC[C@H](O)C(F)F)c1ccccc1F ZINC000224438214 134347125 /nfs/dbraw/zinc/34/71/25/134347125.db2.gz RNKCBYNXBKBSEF-XCBNKYQSSA-N 0 1 233.233 2.102 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ncc(Cl)s2)CCO1 ZINC000225379286 134354951 /nfs/dbraw/zinc/35/49/51/134354951.db2.gz UJSGHCBZPMGJSX-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN CC(C)C[C@H]1OCCC[C@H]1NCc1ncc[nH]1 ZINC000185199646 134372661 /nfs/dbraw/zinc/37/26/61/134372661.db2.gz VOELIZVWLKIKBC-VXGBXAGGSA-N 0 1 237.347 2.093 20 0 BEADMN CNC(=O)[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230408319 134514110 /nfs/dbraw/zinc/51/41/10/134514110.db2.gz FLUTZWJBNOIZTI-NKWVEPMBSA-N 0 1 246.763 2.187 20 0 BEADMN C[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@H](C)O1 ZINC000188634804 134533387 /nfs/dbraw/zinc/53/33/87/134533387.db2.gz BQSVHSSWIRHYGU-MBNYWOFBSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H]1CCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC000248359193 134998290 /nfs/dbraw/zinc/99/82/90/134998290.db2.gz RQZDQPZVWHPYNC-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@H](N[C@H]1CCCOC1)c1nccs1 ZINC000070717448 135009471 /nfs/dbraw/zinc/00/94/71/135009471.db2.gz KALGDCMCCBOGNB-UWVGGRQHSA-N 0 1 226.345 2.363 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000076150264 135015185 /nfs/dbraw/zinc/01/51/85/135015185.db2.gz CKTCMPDAVLQYQX-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H]1COCCN1C[C@H]1CCC(C)(C)O1 ZINC000248574331 135020760 /nfs/dbraw/zinc/02/07/60/135020760.db2.gz OFSNKRCJZIHPLM-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC=C(C)C ZINC000248788268 135021615 /nfs/dbraw/zinc/02/16/15/135021615.db2.gz CZARRJQKIDTCRS-AGIUHOORSA-N 0 1 237.343 2.226 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000248835190 135022621 /nfs/dbraw/zinc/02/26/21/135022621.db2.gz JNUJMSIWNAGURJ-GMTAPVOTSA-N 0 1 249.362 2.047 20 0 BEADMN c1cnc(CN2CCC[C@@H]3CCC[C@H]32)nc1 ZINC000248836136 135022709 /nfs/dbraw/zinc/02/27/09/135022709.db2.gz JWBYDEDWHPHJGH-NWDGAFQWSA-N 0 1 217.316 2.241 20 0 BEADMN C[C@@H]1OCCN(C[C@@H](O)CC2CCCC2)[C@H]1C ZINC000249038407 135031205 /nfs/dbraw/zinc/03/12/05/135031205.db2.gz GKBLMMYSJVWJOU-OBJOEFQTSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H]1CN(Cc2nc3ccccc3o2)CC[C@H]1O ZINC000249137721 135034329 /nfs/dbraw/zinc/03/43/29/135034329.db2.gz OXMPCCORMOYKOU-ZYHUDNBSSA-N 0 1 246.310 2.031 20 0 BEADMN CCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000076966113 135053754 /nfs/dbraw/zinc/05/37/54/135053754.db2.gz LXEVQSAMJZLWBF-ZDUSSCGKSA-N 0 1 248.326 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000251838035 135078945 /nfs/dbraw/zinc/07/89/45/135078945.db2.gz NYDTWRPXVCUGLT-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CCC[C@H]1C ZINC000252137795 135084976 /nfs/dbraw/zinc/08/49/76/135084976.db2.gz LTEUNMJZOSGMNA-NXEZZACHSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2N(C)C)C[C@@H](C)O1 ZINC000078046714 135090809 /nfs/dbraw/zinc/09/08/09/135090809.db2.gz ZXLTVKLMGBIWNV-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN C[C@H]1CN(Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000078046713 135091201 /nfs/dbraw/zinc/09/12/01/135091201.db2.gz ZXLTVKLMGBIWNV-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN C[C@H]1C[C@@H](NCc2cscn2)CS1 ZINC000086936019 135103381 /nfs/dbraw/zinc/10/33/81/135103381.db2.gz WULWUXYDFWAEQB-JGVFFNPUSA-N 0 1 214.359 2.127 20 0 BEADMN CC[C@@H]1CCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000252743557 135106521 /nfs/dbraw/zinc/10/65/21/135106521.db2.gz MGGNGPNQXXJKFZ-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)[C@@H](Nc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000261536631 135108540 /nfs/dbraw/zinc/10/85/40/135108540.db2.gz SFVCJWICWHCHPV-SECBINFHSA-N 0 1 228.679 2.256 20 0 BEADMN CCOC(=O)CN(C)C1CCC(C)(C)CC1 ZINC000087287523 135121893 /nfs/dbraw/zinc/12/18/93/135121893.db2.gz XITPKVFBEWFKND-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCCCC1 ZINC000257670945 135138500 /nfs/dbraw/zinc/13/85/00/135138500.db2.gz GXWPAXMSZOONDR-CYBMUJFWSA-N 0 1 232.327 2.007 20 0 BEADMN Cc1cccc(N[C@H](CC(C)C)C(=O)[O-])[nH+]1 ZINC000257661529 135138757 /nfs/dbraw/zinc/13/87/57/135138757.db2.gz UTRFQXBBXQUOQH-SNVBAGLBSA-N 0 1 222.288 2.301 20 0 BEADMN CCN(C)Cc1nc2ccccc2n1C ZINC000264898360 135141230 /nfs/dbraw/zinc/14/12/30/135141230.db2.gz VOSWLBHMMFWNCL-UHFFFAOYSA-N 0 1 203.289 2.025 20 0 BEADMN CCc1nc(C)c([C@H](C)[N@@H+](C)CCCO)s1 ZINC000266003638 135147058 /nfs/dbraw/zinc/14/70/58/135147058.db2.gz OTDTXNWKJUDSIN-JTQLQIEISA-N 0 1 242.388 2.389 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC000261529335 135156050 /nfs/dbraw/zinc/15/60/50/135156050.db2.gz RGVCUVAMYMDLMA-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cc(-c2csc([C@H](C)N)n2)on1 ZINC000261530560 135158194 /nfs/dbraw/zinc/15/81/94/135158194.db2.gz CQXLJUXPGNHGEX-LURJTMIESA-N 0 1 209.274 2.126 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1csc(C)c1 ZINC000261531962 135161482 /nfs/dbraw/zinc/16/14/82/135161482.db2.gz INHHDHHIPOTVNN-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CN(CCC1CC1)C(=O)[C@@](C)(N)c1ccccc1 ZINC000261559176 135199870 /nfs/dbraw/zinc/19/98/70/135199870.db2.gz DNQBFLMBIAYSGG-HNNXBMFYSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCC1CCCC1 ZINC000261562610 135204692 /nfs/dbraw/zinc/20/46/92/135204692.db2.gz BKWNJZZTOWVPSH-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C(=O)[O-])C2)C1 ZINC000084347467 135211422 /nfs/dbraw/zinc/21/14/22/135211422.db2.gz UEBYXAWNJAMRQG-WOPDTQHZSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000084347514 135211542 /nfs/dbraw/zinc/21/15/42/135211542.db2.gz MMZGLZQCUZERTD-IJLUTSLNSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@H]1C ZINC000164128555 135213580 /nfs/dbraw/zinc/21/35/80/135213580.db2.gz UJYWLTJCSJJDKO-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)C(C[N@H+]1CCC[C@H]1C(=O)[O-])C(C)C ZINC000261576639 135217696 /nfs/dbraw/zinc/21/76/96/135217696.db2.gz KMEARNCWPNIIHU-LBPRGKRZSA-N 0 1 227.348 2.464 20 0 BEADMN CS[C@@H](CO)[C@@H](C)NCc1ccc(Cl)o1 ZINC000164278237 135218114 /nfs/dbraw/zinc/21/81/14/135218114.db2.gz AVNBUNQUFSXHEW-APPZFPTMSA-N 0 1 249.763 2.135 20 0 BEADMN CCC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000261596787 135235600 /nfs/dbraw/zinc/23/56/00/135235600.db2.gz YVVXSMSIILSYMB-NSHDSACASA-N 0 1 221.300 2.372 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])C(C)(C)C1 ZINC000261599699 135237896 /nfs/dbraw/zinc/23/78/96/135237896.db2.gz ZXRHPANKZSHDLT-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccc(Cc2nc(C3(N)CCC3)no2)s1 ZINC000261638590 135242679 /nfs/dbraw/zinc/24/26/79/135242679.db2.gz ABEGGEBHTLQRNM-UHFFFAOYSA-N 0 1 249.339 2.368 20 0 BEADMN NC1(c2noc(Cc3ccc(F)cc3)n2)CCC1 ZINC000261622286 135244523 /nfs/dbraw/zinc/24/45/23/135244523.db2.gz BVXMOHSFHRQAIP-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN Nc1ncc(CN2CCC[C@H]2c2ccc[nH]2)s1 ZINC000261699447 135246612 /nfs/dbraw/zinc/24/66/12/135246612.db2.gz CHVWOZBDGXRGNM-NSHDSACASA-N 0 1 248.355 2.391 20 0 BEADMN NC1(c2noc(Cc3ccsc3)n2)CCC1 ZINC000261747536 135250017 /nfs/dbraw/zinc/25/00/17/135250017.db2.gz BXPDKYMRPSXKRP-UHFFFAOYSA-N 0 1 235.312 2.060 20 0 BEADMN COc1cc([C@H](C)NCc2cccn2C)ccn1 ZINC000342293024 135256208 /nfs/dbraw/zinc/25/62/08/135256208.db2.gz OLNWDANEPGEUTN-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN Nc1ccncc1-c1nc(C2CCCC2)no1 ZINC000261879483 135259281 /nfs/dbraw/zinc/25/92/81/135259281.db2.gz WDPPFVJRPUCEGT-UHFFFAOYSA-N 0 1 230.271 2.371 20 0 BEADMN CCC(C)(C)Cc1nc(C2(N)CCC2)no1 ZINC000261980960 135268786 /nfs/dbraw/zinc/26/87/86/135268786.db2.gz RHAKCVDNZMSHSS-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN CC1CCC(CC(=O)N2CCNC[C@@H]2C)CC1 ZINC000262052526 135276218 /nfs/dbraw/zinc/27/62/18/135276218.db2.gz WILNLBNVRMFPJG-CPCZMJQVSA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])CCCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000262216907 135285451 /nfs/dbraw/zinc/28/54/51/135285451.db2.gz JUNNYQBXJIKKFU-UHFFFAOYSA-N 0 1 249.310 2.005 20 0 BEADMN Cn1ccnc1[C@H](NCCC(F)(F)F)C1CC1 ZINC000342782579 135317517 /nfs/dbraw/zinc/31/75/17/135317517.db2.gz NTHCTKMJYZOKGV-SECBINFHSA-N 0 1 247.264 2.413 20 0 BEADMN CC[C@@H]1CCCN(Cc2ncc(C)n2C)C1 ZINC000342779620 135317770 /nfs/dbraw/zinc/31/77/70/135317770.db2.gz LZYOVYYPYBPMBY-GFCCVEGCSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@@H]1CCCCN1Cc1ncc(C)n1C ZINC000342790573 135318787 /nfs/dbraw/zinc/31/87/87/135318787.db2.gz AJQXEPHGLIRNGT-GFCCVEGCSA-N 0 1 221.348 2.493 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)C[C@H](C)C2)n1C ZINC000342799414 135320547 /nfs/dbraw/zinc/32/05/47/135320547.db2.gz NIEVHJQTGAGBRR-QWRGUYRKSA-N 0 1 221.348 2.206 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000263042037 135328939 /nfs/dbraw/zinc/32/89/39/135328939.db2.gz JCTZZUSUWQOMDJ-UPJWGTAASA-N 0 1 237.343 2.385 20 0 BEADMN CCC(CC)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263106440 135333648 /nfs/dbraw/zinc/33/36/48/135333648.db2.gz XSGSWNLFQGQOLC-PWSUYJOCSA-N 0 1 227.348 2.465 20 0 BEADMN CCCN(C)CC(=O)N1CCc2cccc(C)c21 ZINC000342906181 135333913 /nfs/dbraw/zinc/33/39/13/135333913.db2.gz XMYXMRHNDUYCFD-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000031777141 135334308 /nfs/dbraw/zinc/33/43/08/135334308.db2.gz IYVRFJCBNDCSKC-UHFFFAOYSA-N 0 1 249.701 2.432 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccccc2)C1 ZINC000263150857 135335550 /nfs/dbraw/zinc/33/55/50/135335550.db2.gz FHWGBVPGBQSBPW-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC1CCCC1 ZINC000342936336 135336368 /nfs/dbraw/zinc/33/63/68/135336368.db2.gz UNTJPYASPGVRFV-ZETOZRRWSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CCCC1)C1CC1 ZINC000263331659 135347099 /nfs/dbraw/zinc/34/70/99/135347099.db2.gz MEOKFTSLVMIZNS-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1F ZINC000263332639 135347356 /nfs/dbraw/zinc/34/73/56/135347356.db2.gz MMTUDZAGZRNDAF-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000263349257 135348179 /nfs/dbraw/zinc/34/81/79/135348179.db2.gz OYJHKZBYUJIRCT-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000263349256 135348306 /nfs/dbraw/zinc/34/83/06/135348306.db2.gz OYJHKZBYUJIRCT-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC000263388198 135351306 /nfs/dbraw/zinc/35/13/06/135351306.db2.gz DODNZBIXEHOHCB-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263427578 135353782 /nfs/dbraw/zinc/35/37/82/135353782.db2.gz RAWJYOSZHCSXQS-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263427577 135353851 /nfs/dbraw/zinc/35/38/51/135353851.db2.gz RAWJYOSZHCSXQS-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@]1(C(=O)[O-])CCN(c2cc[nH+]cc2Cl)C1 ZINC000263423929 135353865 /nfs/dbraw/zinc/35/38/65/135353865.db2.gz QKGQJHFFOATSQY-NSHDSACASA-N 0 1 240.690 2.036 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263437076 135354803 /nfs/dbraw/zinc/35/48/03/135354803.db2.gz UYENBMRBHWYQAQ-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263448004 135355238 /nfs/dbraw/zinc/35/52/38/135355238.db2.gz YMZMEBOFUXFUPP-RYUDHWBXSA-N 0 1 235.327 2.270 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000263450656 135355662 /nfs/dbraw/zinc/35/56/62/135355662.db2.gz ZMBCSOSEUXWKKI-MJBXVCDLSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1cccc(CC[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263492303 135357120 /nfs/dbraw/zinc/35/71/20/135357120.db2.gz IUWVNVAQXPFGNI-HNNXBMFYSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)on1 ZINC000334333408 135361202 /nfs/dbraw/zinc/36/12/02/135361202.db2.gz UHQCUSXCDDUDDY-ZYHUDNBSSA-N 0 1 206.289 2.357 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(F)cc2C1 ZINC000263571857 135361404 /nfs/dbraw/zinc/36/14/04/135361404.db2.gz JZSZZUNSIXNHEH-GFCCVEGCSA-N 0 1 237.274 2.047 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCCCCC1 ZINC000334342799 135364216 /nfs/dbraw/zinc/36/42/16/135364216.db2.gz LDHYRPVXGVXJNK-UHFFFAOYSA-N 0 1 233.315 2.303 20 0 BEADMN c1nc(CN2CC[C@H](C3CC3)C2)cs1 ZINC000334394761 135386894 /nfs/dbraw/zinc/38/68/94/135386894.db2.gz BIALKONCRYNKII-JTQLQIEISA-N 0 1 208.330 2.375 20 0 BEADMN C[C@H](C[N@H+]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000334411248 135395386 /nfs/dbraw/zinc/39/53/86/135395386.db2.gz LAQLKVMVUUSGEE-ZIAGYGMSSA-N 0 1 232.371 2.426 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCC[C@H]3C2)s1 ZINC000334421703 135399849 /nfs/dbraw/zinc/39/98/49/135399849.db2.gz DEVISCCFLPVXII-UWVGGRQHSA-N 0 1 223.345 2.078 20 0 BEADMN CCN1C[C@@H](C)N(Cc2nccs2)[C@H](C)C1 ZINC000334436122 135408106 /nfs/dbraw/zinc/40/81/06/135408106.db2.gz ZUNLJZKKBATWHH-GHMZBOCLSA-N 0 1 239.388 2.058 20 0 BEADMN Cc1nc(CN[C@@H]2COC(C)(C)C2)sc1C ZINC000335473647 135414396 /nfs/dbraw/zinc/41/43/96/135414396.db2.gz HONWJKPHNVDDLY-JTQLQIEISA-N 0 1 240.372 2.417 20 0 BEADMN C[C@@H](O)CCN[C@@H](C)c1c(F)cccc1F ZINC000082994043 135442994 /nfs/dbraw/zinc/44/29/94/135442994.db2.gz YBPKVTDYBNDLNU-BDAKNGLRSA-N 0 1 229.270 2.386 20 0 BEADMN CC(C)[C@H](O)CCN[C@H](C)c1nccs1 ZINC000091728183 135565439 /nfs/dbraw/zinc/56/54/39/135565439.db2.gz ASKBJBUOZHBAMQ-NXEZZACHSA-N 0 1 228.361 2.201 20 0 BEADMN CC1CCN(Cc2ccncc2F)CC1 ZINC000334606303 135783812 /nfs/dbraw/zinc/78/38/12/135783812.db2.gz VBWWIBSRXFJJNJ-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CC(C)n1cc(CN2CC(C)(C)C[C@@H]2C)nn1 ZINC000335188745 135949464 /nfs/dbraw/zinc/94/94/64/135949464.db2.gz JKSHFHVYTSHFPN-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN Cc1c(Cl)c(CN[C@@H]2C[C@H]3C[C@H]3C2)nn1C ZINC000335286314 136002579 /nfs/dbraw/zinc/00/25/79/136002579.db2.gz OOASXNAWPVIBNY-ILWJIGKKSA-N 0 1 239.750 2.270 20 0 BEADMN CC(C)[C@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC000347910531 136016226 /nfs/dbraw/zinc/01/62/26/136016226.db2.gz ANJABRSLQFFUSU-LBPRGKRZSA-N 0 1 236.363 2.337 20 0 BEADMN CC(C)n1cc(CN2[C@@H](C)CC[C@@H]2C)nn1 ZINC000335305731 136022360 /nfs/dbraw/zinc/02/23/60/136022360.db2.gz BDAYIFFOOIEHDT-QWRGUYRKSA-N 0 1 222.336 2.232 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)CC2)n(C)n1 ZINC000335300577 136023779 /nfs/dbraw/zinc/02/37/79/136023779.db2.gz VUCASHFQLAOUJB-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN O=C(N[C@@H]1CC[C@H](F)C1)c1n[nH]c2ccccc21 ZINC000335315217 136024126 /nfs/dbraw/zinc/02/41/26/136024126.db2.gz CQPNERBYLWYMMZ-DTWKUNHWSA-N 0 1 247.273 2.183 20 0 BEADMN CN(Cc1cn(C)nn1)C1CCC(C)(C)CC1 ZINC000335311252 136029504 /nfs/dbraw/zinc/02/95/04/136029504.db2.gz IVLPSQHLTAQPMW-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN CSc1cccc(NC(=O)c2cn[nH]c2C)n1 ZINC000335314144 136031854 /nfs/dbraw/zinc/03/18/54/136031854.db2.gz VBUBJJHPBGFAOL-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CCOCCN(C)Cc1ccc(CC)nc1 ZINC000348114383 136037747 /nfs/dbraw/zinc/03/77/47/136037747.db2.gz KTTIKDZYLKPXSA-UHFFFAOYSA-N 0 1 222.332 2.112 20 0 BEADMN Cc1ccoc1CN[C@@H]1C[C@H]1C(F)F ZINC000348167058 136042158 /nfs/dbraw/zinc/04/21/58/136042158.db2.gz CLDHDUZLKWGOLX-HTQZYQBOSA-N 0 1 201.216 2.331 20 0 BEADMN Cc1ccoc1CN[C@@H]1C[C@@H]1C(F)F ZINC000348167060 136042278 /nfs/dbraw/zinc/04/22/78/136042278.db2.gz CLDHDUZLKWGOLX-JGVFFNPUSA-N 0 1 201.216 2.331 20 0 BEADMN CSC1(CN2CCc3ncsc3C2)CC1 ZINC000348211126 136045206 /nfs/dbraw/zinc/04/52/06/136045206.db2.gz DHIXQCJETGGAQE-UHFFFAOYSA-N 0 1 240.397 2.397 20 0 BEADMN Cn1ccc(CN2CCCC3(CCC3)C2)n1 ZINC000348192313 136049580 /nfs/dbraw/zinc/04/95/80/136049580.db2.gz GTCPFZVVQWJQDW-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN CCC1(O)CCN(Cc2ccc(C)nc2)CC1 ZINC000335332262 136054066 /nfs/dbraw/zinc/05/40/66/136054066.db2.gz HTDUAAFDPGQNAR-UHFFFAOYSA-N 0 1 234.343 2.127 20 0 BEADMN CC(C)n1cc(CN(C)[C@@H]2CC[C@H](C)C2)nn1 ZINC000348408993 136077055 /nfs/dbraw/zinc/07/70/55/136077055.db2.gz MIOMWASZFPPSBF-WCQYABFASA-N 0 1 236.363 2.479 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335400718 136094093 /nfs/dbraw/zinc/09/40/93/136094093.db2.gz NWBNRHFASWAGSL-BXUZGUMPSA-N 0 1 233.311 2.123 20 0 BEADMN CC[C@H]1CCN1C(=O)c1c(C)n[nH]c1C(C)C ZINC000335557725 136099961 /nfs/dbraw/zinc/09/99/61/136099961.db2.gz ILAKCEKTQIGTOK-JTQLQIEISA-N 0 1 235.331 2.466 20 0 BEADMN C[C@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000335587395 136102312 /nfs/dbraw/zinc/10/23/12/136102312.db2.gz UDIHWAQOGHUNGS-VIFPVBQESA-N 0 1 225.719 2.079 20 0 BEADMN CC(C)n1cncc1CN1CCCSCC1 ZINC000335560982 136106112 /nfs/dbraw/zinc/10/61/12/136106112.db2.gz PVHHUOJFGCEFNN-UHFFFAOYSA-N 0 1 239.388 2.403 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2cnns2)C1 ZINC000335569873 136109265 /nfs/dbraw/zinc/10/92/65/136109265.db2.gz JVPGSOOCYQOHFP-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CN(Cc2cnns2)C(C)(C)C1 ZINC000335570434 136109346 /nfs/dbraw/zinc/10/93/46/136109346.db2.gz PUONJFRBPVRPSD-MRVPVSSYSA-N 0 1 211.334 2.159 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000335571526 136110143 /nfs/dbraw/zinc/11/01/43/136110143.db2.gz BLCOLSBNHXVMBJ-VIFPVBQESA-N 0 1 211.334 2.016 20 0 BEADMN CC(C)[C@H]1CCN(Cc2cnns2)C1 ZINC000335571526 136110144 /nfs/dbraw/zinc/11/01/44/136110144.db2.gz BLCOLSBNHXVMBJ-VIFPVBQESA-N 0 1 211.334 2.016 20 0 BEADMN [O-]c1cccnc1C[NH2+]C1CC2(CCC2)C1 ZINC000335574906 136110609 /nfs/dbraw/zinc/11/06/09/136110609.db2.gz MFULRFCHKWPMRK-UHFFFAOYSA-N 0 1 218.300 2.210 20 0 BEADMN CC1(C)C[C@H](N[C@@H]2CCn3ccnc32)C(C)(C)O1 ZINC000335575093 136110760 /nfs/dbraw/zinc/11/07/60/136110760.db2.gz CGCLKFZAVPESGO-MNOVXSKESA-N 0 1 249.358 2.264 20 0 BEADMN C[C@H]1CN(Cc2ccc3c(n2)CCC3)CCCO1 ZINC000335581273 136112651 /nfs/dbraw/zinc/11/26/51/136112651.db2.gz TUOOAADFTMEPMS-LBPRGKRZSA-N 0 1 246.354 2.181 20 0 BEADMN Cc1ccc(CCCN2CCO[C@@H](C)C2)cn1 ZINC000348669472 136116084 /nfs/dbraw/zinc/11/60/84/136116084.db2.gz GBBUUYRBDQBOKY-ZDUSSCGKSA-N 0 1 234.343 2.043 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CCCOC2)cn1 ZINC000348711123 136117058 /nfs/dbraw/zinc/11/70/58/136117058.db2.gz FLOFKQOSSZZSLV-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN COCCCCCN[C@@H](C)c1csnn1 ZINC001646240842 1172724987 /nfs/dbraw/zinc/72/49/87/1172724987.db2.gz MPZYHOILFKABLL-VIFPVBQESA-N 0 1 229.349 2.005 20 0 BEADMN COc1cc(CNCc2cccc(O)c2)ccn1 ZINC000057395143 322857893 /nfs/dbraw/zinc/85/78/93/322857893.db2.gz YNYJMXRPLTWNEG-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC001647827697 1172766864 /nfs/dbraw/zinc/76/68/64/1172766864.db2.gz HQLRPQUTFPARRJ-URLYPYJESA-N 0 1 247.342 2.195 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc2[nH]ccc2c1 ZINC000628244137 397732858 /nfs/dbraw/zinc/73/28/58/397732858.db2.gz UOSAWBBFVIMNJA-OLZOCXBDSA-N 0 1 248.301 2.073 20 0 BEADMN O=[S@@](CCN1CCCCC1)c1ccccc1 ZINC000104661028 397783822 /nfs/dbraw/zinc/78/38/22/397783822.db2.gz ITONJEUPQKHHNR-MRXNPFEDSA-N 0 1 237.368 2.280 20 0 BEADMN Cc1ccoc1CNC[C@H](O)c1ccsc1 ZINC000164631354 397794698 /nfs/dbraw/zinc/79/46/98/397794698.db2.gz PKYWNAHOGHSVCR-NSHDSACASA-N 0 1 237.324 2.473 20 0 BEADMN CCC1(CNc2cc(C)ccn2)COC1 ZINC000309189383 397852531 /nfs/dbraw/zinc/85/25/31/397852531.db2.gz PMBANMBYKKTEBZ-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN CC[C@@H](N[C@H](CC)C1CCCC1)C(=O)OC ZINC000387703600 397856803 /nfs/dbraw/zinc/85/68/03/397856803.db2.gz XSEDKHDSAWDTGB-VXGBXAGGSA-N 0 1 227.348 2.496 20 0 BEADMN CC[C@H](N[C@@H](CC)C1CCCC1)C(=O)OC ZINC000387703592 397856955 /nfs/dbraw/zinc/85/69/55/397856955.db2.gz XSEDKHDSAWDTGB-RYUDHWBXSA-N 0 1 227.348 2.496 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000183815061 397867159 /nfs/dbraw/zinc/86/71/59/397867159.db2.gz FCVKOSZJAWXKFZ-GAFUQQFSSA-N 0 1 247.342 2.369 20 0 BEADMN COc1cccc2c1CN(CCOC(C)C)CC2 ZINC000650106731 397927222 /nfs/dbraw/zinc/92/72/22/397927222.db2.gz XDYFJPLVVVQMOS-UHFFFAOYSA-N 0 1 249.354 2.478 20 0 BEADMN CCOCCN1CCc2cccc(OC)c2C1 ZINC000650107125 397927790 /nfs/dbraw/zinc/92/77/90/397927790.db2.gz IXDRWEQXXIRLPT-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cc3n(n2)CCCC3)C1 ZINC000649539551 397933030 /nfs/dbraw/zinc/93/30/30/397933030.db2.gz ZDBGCOWMQRCUKK-VXGBXAGGSA-N 0 1 233.359 2.450 20 0 BEADMN CC[C@]1(C)CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649550735 397942656 /nfs/dbraw/zinc/94/26/56/397942656.db2.gz ZBSDGOQJZJGKPM-CQSZACIVSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CC(C)(C)C)[C@@H](C)CN1C ZINC000650145070 397942912 /nfs/dbraw/zinc/94/29/12/397942912.db2.gz DYEJGAKIPQNLQD-TUAOUCFPSA-N 0 1 240.391 2.362 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650145279 397943081 /nfs/dbraw/zinc/94/30/81/397943081.db2.gz IJAGOAVSQPYFEH-GRYCIOLGSA-N 0 1 226.364 2.116 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650145282 397943569 /nfs/dbraw/zinc/94/35/69/397943569.db2.gz IJAGOAVSQPYFEH-WOPDTQHZSA-N 0 1 226.364 2.116 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000650145921 397943727 /nfs/dbraw/zinc/94/37/27/397943727.db2.gz TYKRATJPPQFXQF-QNWHQSFQSA-N 0 1 240.391 2.362 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650145921 397943729 /nfs/dbraw/zinc/94/37/29/397943729.db2.gz TYKRATJPPQFXQF-QNWHQSFQSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)CCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650145189 397943884 /nfs/dbraw/zinc/94/38/84/397943884.db2.gz GRYUODDGEFHHOB-FRRDWIJNSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)N(CC(F)F)C[C@H]1CCC[N@H+]1C ZINC000649552580 397944717 /nfs/dbraw/zinc/94/47/17/397944717.db2.gz NUFDAJNVVJXZSU-SNVBAGLBSA-N 0 1 220.307 2.056 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2=CCCC2)[C@@H](C)CN1C ZINC000650153624 397944920 /nfs/dbraw/zinc/94/49/20/397944920.db2.gz YFKHBVVHANXQNF-TUAOUCFPSA-N 0 1 236.359 2.036 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CC1CCC1 ZINC000650152557 397945695 /nfs/dbraw/zinc/94/56/95/397945695.db2.gz GUMXAUZAZGDVDE-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CCC1CC1 ZINC000650152054 397945811 /nfs/dbraw/zinc/94/58/11/397945811.db2.gz YIETYFREWFVMIM-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000650154263 397946161 /nfs/dbraw/zinc/94/61/61/397946161.db2.gz HORUPHAJKBNMIB-RNJOBUHISA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650154263 397946164 /nfs/dbraw/zinc/94/61/64/397946164.db2.gz HORUPHAJKBNMIB-RNJOBUHISA-N 0 1 240.391 2.362 20 0 BEADMN Cc1cccc(CCN(C)Cc2cnccn2)c1 ZINC000449022514 397950791 /nfs/dbraw/zinc/95/07/91/397950791.db2.gz YEEVSMHRWGJMJS-UHFFFAOYSA-N 0 1 241.338 2.460 20 0 BEADMN CCC[C@H]1C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000360784218 397967461 /nfs/dbraw/zinc/96/74/61/397967461.db2.gz VDBYEIFGROXUSG-VHSXEESVSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@H]1C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000360784218 397967464 /nfs/dbraw/zinc/96/74/64/397967464.db2.gz VDBYEIFGROXUSG-VHSXEESVSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC000268768759 397954322 /nfs/dbraw/zinc/95/43/22/397954322.db2.gz CZHBVSHWOGBZHM-CZXHOFHRSA-N 0 1 247.338 2.430 20 0 BEADMN C[C@@H](NCc1ccccc1)c1ccnn1C ZINC000192244723 397892485 /nfs/dbraw/zinc/89/24/85/397892485.db2.gz JGAYGFCPWNJWAY-LLVKDONJSA-N 0 1 215.300 2.271 20 0 BEADMN CC(C)c1nccc(N2CCN(C(C)C)CC2)n1 ZINC000110128455 397902805 /nfs/dbraw/zinc/90/28/05/397902805.db2.gz YYWSVYBBOLDNQP-UHFFFAOYSA-N 0 1 248.374 2.130 20 0 BEADMN CC[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000387583690 397919178 /nfs/dbraw/zinc/91/91/78/397919178.db2.gz NWQRSGFKOWJVGI-HLTSFMKQSA-N 0 1 207.277 2.008 20 0 BEADMN CCN(Cc1cc2n(n1)CCC2)C1CCC1 ZINC000649537225 397926175 /nfs/dbraw/zinc/92/61/75/397926175.db2.gz XKPBCSAXKBVPCS-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CC(C)c1nc(CN2CCCC(F)(F)C2)n[nH]1 ZINC000649696068 398044700 /nfs/dbraw/zinc/04/47/00/398044700.db2.gz SOWUPMSDVGDJMP-UHFFFAOYSA-N 0 1 244.289 2.159 20 0 BEADMN C[C@H](N[C@@H]1CCOC2(CCC2)C1)C(F)F ZINC000389942908 397999090 /nfs/dbraw/zinc/99/90/90/397999090.db2.gz OEYNWAUOBBFDOZ-DTWKUNHWSA-N 0 1 219.275 2.331 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)NCCC(C)(C)C ZINC000555328528 398004565 /nfs/dbraw/zinc/00/45/65/398004565.db2.gz JRKUMEKJHCLSOX-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CSc1n[nH]c(NC(=O)[C@H](C)CC(C)C)n1 ZINC000274220703 398004801 /nfs/dbraw/zinc/00/48/01/398004801.db2.gz JLBJHWSTFKGFTM-SSDOTTSWSA-N 0 1 242.348 2.147 20 0 BEADMN C1=C(C[N@H+]2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000645964712 398015730 /nfs/dbraw/zinc/01/57/30/398015730.db2.gz JEFLHOPXDFHQMZ-ZDUSSCGKSA-N 0 1 239.384 2.305 20 0 BEADMN C1=C(CN2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000645964712 398015735 /nfs/dbraw/zinc/01/57/35/398015735.db2.gz JEFLHOPXDFHQMZ-ZDUSSCGKSA-N 0 1 239.384 2.305 20 0 BEADMN c1nc(CN[C@H]2C[C@@H]2Cc2ccccc2)co1 ZINC000277002881 398025771 /nfs/dbraw/zinc/02/57/71/398025771.db2.gz KDQOSWYQCTZPOU-JSGCOSHPSA-N 0 1 228.295 2.395 20 0 BEADMN Cc1cc(C[N@H+]2CCC23CCCC3)nn1C ZINC000649656941 398026932 /nfs/dbraw/zinc/02/69/32/398026932.db2.gz GVZULGWJWFZZBN-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN Cc1cc(CN2CCC23CCCC3)nn1C ZINC000649656941 398026935 /nfs/dbraw/zinc/02/69/35/398026935.db2.gz GVZULGWJWFZZBN-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC1(C)CCCC1 ZINC000637938173 398048730 /nfs/dbraw/zinc/04/87/30/398048730.db2.gz WRCZMULJRWKAIC-UHFFFAOYSA-N 0 1 236.315 2.109 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)[C@@H](CC)CO1 ZINC000649718270 398060714 /nfs/dbraw/zinc/06/07/14/398060714.db2.gz WOAAKGQQJZPJNT-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H](NCC[C@@H]1CCCCO1)c1ccon1 ZINC000336735593 398064881 /nfs/dbraw/zinc/06/48/81/398064881.db2.gz ICMMEYDYNFDNGM-MNOVXSKESA-N 0 1 224.304 2.284 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000355035663 398093320 /nfs/dbraw/zinc/09/33/20/398093320.db2.gz GXUQHNSNBYDSSM-CYZMBNFOSA-N 0 1 248.326 2.030 20 0 BEADMN CO[C@@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000284132975 398077302 /nfs/dbraw/zinc/07/73/02/398077302.db2.gz VPGFJAGPDFAVDR-AWEZNQCLSA-N 0 1 249.354 2.485 20 0 BEADMN COCC[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285653167 398080014 /nfs/dbraw/zinc/08/00/14/398080014.db2.gz LUUDUAWCHCHTKO-DTWKUNHWSA-N 0 1 244.285 2.435 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nnnn1C1CC1 ZINC000505460223 398080860 /nfs/dbraw/zinc/08/08/60/398080860.db2.gz ADZFNVRLKZLAIE-PWSUYJOCSA-N 0 1 249.362 2.019 20 0 BEADMN Cc1ccc(CNCc2ccc(O)cc2)nc1 ZINC000125760430 398095293 /nfs/dbraw/zinc/09/52/93/398095293.db2.gz DWPVVJGDKKEDOW-UHFFFAOYSA-N 0 1 228.295 2.385 20 0 BEADMN CCN(Cc1c(C)noc1C)[C@@H]1CCCOC1 ZINC000649755149 398084961 /nfs/dbraw/zinc/08/49/61/398084961.db2.gz GJAWHALBKYZAGT-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CC[N@@H+](Cc1cncc(C)c1)[C@@H]1CCCOC1 ZINC000649755602 398085918 /nfs/dbraw/zinc/08/59/18/398085918.db2.gz RXDHWDGXXSPCCH-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCCOC1 ZINC000649755619 398086044 /nfs/dbraw/zinc/08/60/44/398086044.db2.gz SIYAYVXZBYOUKL-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CC[N@@H+](Cc1cnccc1C)[C@H]1CCCOC1 ZINC000649755597 398086138 /nfs/dbraw/zinc/08/61/38/398086138.db2.gz RULIRHZIEVKDLH-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@H]1CCCOC1 ZINC000649755621 398086616 /nfs/dbraw/zinc/08/66/16/398086616.db2.gz SIYAYVXZBYOUKL-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CCc1cncc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000647145729 398087610 /nfs/dbraw/zinc/08/76/10/398087610.db2.gz COEKVLLKEKETER-LLVKDONJSA-N 0 1 244.298 2.119 20 0 BEADMN CC(C)(c1nc([C@H]2CCCN2)no1)C(F)F ZINC000647145638 398087909 /nfs/dbraw/zinc/08/79/09/398087909.db2.gz AHGXRMVOGSILFS-ZCFIWIBFSA-N 0 1 231.246 2.037 20 0 BEADMN CC(C)O[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000649703083 398051374 /nfs/dbraw/zinc/05/13/74/398051374.db2.gz TXJIOASALJVQKA-STQMWFEESA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OC(C)C)C2)ncn1 ZINC000649703837 398052347 /nfs/dbraw/zinc/05/23/47/398052347.db2.gz NXFCLBPJDCXAKR-CQSZACIVSA-N 0 1 249.358 2.174 20 0 BEADMN C[C@@H]1OCC[C@]12CN(Cc1ccccc1)CCO2 ZINC000280516013 398056568 /nfs/dbraw/zinc/05/65/68/398056568.db2.gz ROWYRTZUOFIPLL-ZFWWWQNUSA-N 0 1 247.338 2.066 20 0 BEADMN CC[C@H]1COC(C)(C)CN1CCOCC1CC1 ZINC000649716061 398057695 /nfs/dbraw/zinc/05/76/95/398057695.db2.gz RTCFVBNTEWXGBT-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H](C)NCc1ncc(C2OCCO2)s1 ZINC000289042559 398099633 /nfs/dbraw/zinc/09/96/33/398099633.db2.gz AUHSFZSFSHLBBW-MRVPVSSYSA-N 0 1 242.344 2.077 20 0 BEADMN CC[C@H]1CCN1Cc1cc(C(=O)OC)c(C)o1 ZINC000292570426 398105503 /nfs/dbraw/zinc/10/55/03/398105503.db2.gz ZXVRFBKJDYEBTE-JTQLQIEISA-N 0 1 237.299 2.359 20 0 BEADMN Cn1cnnc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000650334656 398117592 /nfs/dbraw/zinc/11/75/92/398117592.db2.gz FVDOKVXAZHZEAK-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN Cc1nnc([C@@H](C)NC2(C3CCC3)CC2)o1 ZINC000649808207 398112800 /nfs/dbraw/zinc/11/28/00/398112800.db2.gz VYSFPHPHGBARFA-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN Cc1cc(CNC2(C3CCC3)CC2)no1 ZINC000649807332 398114140 /nfs/dbraw/zinc/11/41/40/398114140.db2.gz REDQIWNCAKDEEV-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN C[C@H](NC[C@@H](O)C1CCCCC1)c1ccon1 ZINC000355316050 398124707 /nfs/dbraw/zinc/12/47/07/398124707.db2.gz NFGWEFQXUUQCEV-GXFFZTMASA-N 0 1 238.331 2.266 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CCCOC2)C2(CCC2)CO1 ZINC000649823826 398126556 /nfs/dbraw/zinc/12/65/56/398126556.db2.gz OPFWSRMLNURTLC-QWHCGFSZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H](C)[C@H](CNCc1cscn1)OC ZINC000294169441 171393298 /nfs/dbraw/zinc/39/32/98/171393298.db2.gz JCUXOHVSVXRODJ-ONGXEEELSA-N 0 1 228.361 2.294 20 0 BEADMN CCOC(=O)CN(C[C@H]1CC=CCC1)C1CC1 ZINC000091773000 398130745 /nfs/dbraw/zinc/13/07/45/398130745.db2.gz MOSLJAOTZDPOEP-LBPRGKRZSA-N 0 1 237.343 2.370 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@H]1CCCC[C@H]1C ZINC000649831502 398130894 /nfs/dbraw/zinc/13/08/94/398130894.db2.gz VUQJMCABTVQSJQ-FOGDFJRCSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1nccs1 ZINC000385102346 398134532 /nfs/dbraw/zinc/13/45/32/398134532.db2.gz HXAMWDXWSXTYLD-KYXWUPHJSA-N 0 1 226.345 2.360 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1C[C@@H]1C ZINC000085494754 1172824013 /nfs/dbraw/zinc/82/40/13/1172824013.db2.gz SWCILJVUAZOETN-GARJFASQSA-N 0 1 227.348 2.304 20 0 BEADMN c1cc2c(s1)C[N@@H+](CCOC1CC1)CC2 ZINC001648523733 1172839722 /nfs/dbraw/zinc/83/97/22/1172839722.db2.gz YELGGIDZEFKASL-UHFFFAOYSA-N 0 1 223.341 2.285 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001648613828 1172855162 /nfs/dbraw/zinc/85/51/62/1172855162.db2.gz FJGOKUXTLKQDSP-KGLIPLIRSA-N 0 1 249.358 2.252 20 0 BEADMN CCN(CC)Cc1csc(C(=O)OC)c1 ZINC000261096587 322884969 /nfs/dbraw/zinc/88/49/69/322884969.db2.gz XALAOTFFRIBJSR-UHFFFAOYSA-N 0 1 227.329 2.377 20 0 BEADMN CCc1ncc(CN(C)C2(CO)CCC2)s1 ZINC000668801951 487564641 /nfs/dbraw/zinc/56/46/41/487564641.db2.gz BQDVCPPCHZYMHQ-UHFFFAOYSA-N 0 1 240.372 2.052 20 0 BEADMN Cc1cc(CNCc2csc(C3CC3)n2)n[nH]1 ZINC001650404444 1172882113 /nfs/dbraw/zinc/88/21/13/1172882113.db2.gz OJDNYCVEODBDDK-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN CN(C)c1ccccc1CNCc1cncs1 ZINC001650233737 1172883014 /nfs/dbraw/zinc/88/30/14/1172883014.db2.gz AHFWMHKZLAPMFR-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN CC(C)c1cc(CN[C@H](C)[C@H]2CCCO2)on1 ZINC000680341418 487568766 /nfs/dbraw/zinc/56/87/66/487568766.db2.gz LAENIOJJTQWDPB-ZWNOBZJWSA-N 0 1 238.331 2.455 20 0 BEADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCCOC2)n1 ZINC000674387506 487568784 /nfs/dbraw/zinc/56/87/84/487568784.db2.gz JSRGRWBQYBXQHD-MRVPVSSYSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(S[C@@H]2CCCOC2)n[nH]1 ZINC000674387506 487568791 /nfs/dbraw/zinc/56/87/91/487568791.db2.gz JSRGRWBQYBXQHD-MRVPVSSYSA-N 0 1 241.360 2.373 20 0 BEADMN Cc1coc(CNc2ccc3nn[nH]c3c2)c1 ZINC001650711885 1172894219 /nfs/dbraw/zinc/89/42/19/1172894219.db2.gz IQVMTPREAGOIAW-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1coc(CNc2ccc3n[nH]nc3c2)c1 ZINC001650711885 1172894223 /nfs/dbraw/zinc/89/42/23/1172894223.db2.gz IQVMTPREAGOIAW-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)n[nH]1 ZINC000674409882 487570645 /nfs/dbraw/zinc/57/06/45/487570645.db2.gz QQFKYSXMWDHJNQ-AOOOYVTPSA-N 0 1 235.331 2.090 20 0 BEADMN CN1Cc2ccccc2[C@@H](NCC2(F)CC2)C1 ZINC000527524389 487574507 /nfs/dbraw/zinc/57/45/07/487574507.db2.gz DVKGPLBHQHALDB-ZDUSSCGKSA-N 0 1 234.318 2.265 20 0 BEADMN CCCn1cc(CNC(C)(C)CF)c(C)n1 ZINC001650970078 1172913202 /nfs/dbraw/zinc/91/32/02/1172913202.db2.gz HGVYBOYYFAGDJN-UHFFFAOYSA-N 0 1 227.327 2.439 20 0 BEADMN CC[C@@H](C)CNc1cccc2[nH]nnc21 ZINC001651096316 1172924493 /nfs/dbraw/zinc/92/44/93/1172924493.db2.gz BPRPLTBBXUEWKF-MRVPVSSYSA-N 0 1 204.277 2.416 20 0 BEADMN C=COc1ccc(Nc2nccnc2CN)cc1 ZINC001651136610 1172925169 /nfs/dbraw/zinc/92/51/69/1172925169.db2.gz UQMNQXCUEBHFCX-UHFFFAOYSA-N 0 1 242.282 2.201 20 0 BEADMN CC(C)OC[C@@H](C)NCc1nccn1C(F)F ZINC000337332365 167257317 /nfs/dbraw/zinc/25/73/17/167257317.db2.gz IDXVLIKAKYSQFE-SECBINFHSA-N 0 1 247.289 2.181 20 0 BEADMN C[C@@H](CN1CCn2cncc2C1)C(C)(C)C ZINC000685850110 487588467 /nfs/dbraw/zinc/58/84/67/487588467.db2.gz AOFOLELURHDSJS-NSHDSACASA-N 0 1 221.348 2.381 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ncn(C)n1)C(C)(C)C ZINC000309754598 487590730 /nfs/dbraw/zinc/59/07/30/487590730.db2.gz LHQBPDWRVUHUQC-UWVGGRQHSA-N 0 1 224.352 2.148 20 0 BEADMN CCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C(C)C ZINC000655238827 487590745 /nfs/dbraw/zinc/59/07/45/487590745.db2.gz DHWNUPQCJDPCLC-LLVKDONJSA-N 0 1 237.347 2.235 20 0 BEADMN CC(C)[C@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000685908742 487593934 /nfs/dbraw/zinc/59/39/34/487593934.db2.gz ANRSYEBOAZRNSU-CYBMUJFWSA-N 0 1 246.310 2.369 20 0 BEADMN COC1(OC)CC(NCc2ccc(Cl)o2)C1 ZINC001651595064 1172961921 /nfs/dbraw/zinc/96/19/21/1172961921.db2.gz SEJMBHQGKDRFDJ-UHFFFAOYSA-N 0 1 245.706 2.174 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)co1 ZINC000161619969 487604046 /nfs/dbraw/zinc/60/40/46/487604046.db2.gz VNVHRXJBWLOXMV-SECBINFHSA-N 0 1 219.244 2.063 20 0 BEADMN COc1ccc(CN(C)Cc2ccn(C)c2)cn1 ZINC000680480206 487604080 /nfs/dbraw/zinc/60/40/80/487604080.db2.gz BQRUVYBCXIJZRO-UHFFFAOYSA-N 0 1 245.326 2.061 20 0 BEADMN CC(C)S(=O)(=O)CCCN1[C@@H](C)CC[C@@H]1C ZINC000122223660 167318488 /nfs/dbraw/zinc/31/84/88/167318488.db2.gz GULSFVMFGQWVNR-RYUDHWBXSA-N 0 1 247.404 2.073 20 0 BEADMN CC(C)SCCN1CCO[C@H](C)[C@H]1C ZINC000336703424 167326841 /nfs/dbraw/zinc/32/68/41/167326841.db2.gz ZZLZFTOAFOMQQR-GHMZBOCLSA-N 0 1 217.378 2.237 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)oc2C)C[C@@H]1C ZINC000660720288 409644360 /nfs/dbraw/zinc/64/43/60/409644360.db2.gz IOVOGZPIOGLDQT-TVQRCGJNSA-N 0 1 238.331 2.148 20 0 BEADMN C[C@@]1(C(F)F)CN(CCC2CC2)CCO1 ZINC000662370883 409679184 /nfs/dbraw/zinc/67/91/84/409679184.db2.gz DWKGOVHUWIYFBP-NSHDSACASA-N 0 1 219.275 2.143 20 0 BEADMN C[C@]1(C(F)F)CN(CCC2CC2)CCO1 ZINC000662370882 409680286 /nfs/dbraw/zinc/68/02/86/409680286.db2.gz DWKGOVHUWIYFBP-LLVKDONJSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1csc(CN2CC3CC2(C)C3)n1 ZINC000662384236 409686978 /nfs/dbraw/zinc/68/69/78/409686978.db2.gz VPAKNSMIASFMIY-UHFFFAOYSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1ccc(C[N@H+](C)Cc2n[n-]c(=O)o2)c(C)c1 ZINC000660844713 409844222 /nfs/dbraw/zinc/84/42/22/409844222.db2.gz UCCBHQDXECUJJG-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1ccc(C[N@@H+](C)Cc2n[n-]c(=O)o2)c(C)c1 ZINC000660844713 409844228 /nfs/dbraw/zinc/84/42/28/409844228.db2.gz UCCBHQDXECUJJG-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN CC(C)SCCN[C@H](C)c1nccn1C ZINC000308821442 167332545 /nfs/dbraw/zinc/33/25/45/167332545.db2.gz QRXFRKKMLYGVNH-SNVBAGLBSA-N 0 1 227.377 2.212 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H](N)c1ccccc1 ZINC000662626334 409797714 /nfs/dbraw/zinc/79/77/14/409797714.db2.gz GDIGVLWUHXIHSD-WCQYABFASA-N 0 1 234.343 2.239 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNCCOCCF)o1 ZINC000663340584 410147616 /nfs/dbraw/zinc/14/76/16/410147616.db2.gz QLCVQVHJVNNBPG-PWSUYJOCSA-N 0 1 241.306 2.479 20 0 BEADMN C[N@H+](Cc1occc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC000663316774 410109472 /nfs/dbraw/zinc/10/94/72/410109472.db2.gz HDGPCTRSYUDBRO-VIFPVBQESA-N 0 1 237.299 2.456 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317634 410110606 /nfs/dbraw/zinc/11/06/06/410110606.db2.gz NQKAZZFVSJHTBU-WNWFYDSVSA-N 0 1 249.354 2.218 20 0 BEADMN CCc1ccncc1NCc1[nH]ncc1C ZINC000651979779 410114866 /nfs/dbraw/zinc/11/48/66/410114866.db2.gz JEBWDPJWAXPNES-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ncc(C(C)(C)C)o1 ZINC000661085506 410151973 /nfs/dbraw/zinc/15/19/73/410151973.db2.gz LMGNHYKIZZRLQU-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN COCC1(NCc2nc(C)c[nH]2)CCCCC1 ZINC000663337238 410137016 /nfs/dbraw/zinc/13/70/16/410137016.db2.gz PYLCMNQQLCQJTP-UHFFFAOYSA-N 0 1 237.347 2.157 20 0 BEADMN CCN(Cc1cnn(C)c1)Cc1ccc(O)cc1 ZINC000674756808 487614101 /nfs/dbraw/zinc/61/41/01/487614101.db2.gz MMOFZBILRRAHJI-UHFFFAOYSA-N 0 1 245.326 2.148 20 0 BEADMN c1csc(CN[C@@H]2CNc3ccccc3C2)n1 ZINC000650716800 410349355 /nfs/dbraw/zinc/34/93/55/410349355.db2.gz KCCSHRWXGSFVKS-NSHDSACASA-N 0 1 245.351 2.270 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)Nc2cnccn2)n[nH]1 ZINC000663841987 410350526 /nfs/dbraw/zinc/35/05/26/410350526.db2.gz UPFXBBOPMCLSEM-RKDXNWHRSA-N 0 1 246.318 2.281 20 0 BEADMN C[C@]1(C2CC2)CN(CCc2cccnc2)CCO1 ZINC000661166474 410314612 /nfs/dbraw/zinc/31/46/12/410314612.db2.gz AZLRVMSSUXLAHC-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN COC(=O)c1ccccc1C[N@H+]1CC[C@@H](C)C1 ZINC000130179869 410395196 /nfs/dbraw/zinc/39/51/96/410395196.db2.gz HOOLYCHOLBAETM-LLVKDONJSA-N 0 1 233.311 2.315 20 0 BEADMN C/C(=C/C(=O)Nc1ccc2[nH]nnc2c1)C1CC1 ZINC000154083738 166232058 /nfs/dbraw/zinc/23/20/58/166232058.db2.gz BNDNAVARTHZILJ-VURMDHGXSA-N 0 1 242.282 2.253 20 0 BEADMN Cc1cccc(NC[C@@H](CO)CC2CC2)n1 ZINC000664462875 410586635 /nfs/dbraw/zinc/58/66/35/410586635.db2.gz RCPJBQXSFXDDEY-LBPRGKRZSA-N 0 1 220.316 2.211 20 0 BEADMN CN[C@@H](C)c1cn(Cc2cc(C)cc(C)c2)nn1 ZINC000381456981 410538083 /nfs/dbraw/zinc/53/80/83/410538083.db2.gz UBYDXECBLRDHDS-LBPRGKRZSA-N 0 1 244.342 2.224 20 0 BEADMN CCN(CC)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000163415828 487617447 /nfs/dbraw/zinc/61/74/47/487617447.db2.gz QBBODULWBHVFNE-NSHDSACASA-N 0 1 240.734 2.208 20 0 BEADMN FC1(F)CC[C@H](N[C@H]2CCn3ccnc32)C1 ZINC000393527004 410746451 /nfs/dbraw/zinc/74/64/51/410746451.db2.gz XYOQARJSTZEYRC-IUCAKERBSA-N 0 1 227.258 2.105 20 0 BEADMN C[C@@H]1CN(CC2=CCCC2)C[C@@H](C)C1=O ZINC000661537890 410739988 /nfs/dbraw/zinc/73/99/88/410739988.db2.gz FZEVRIPJHPBADN-GHMZBOCLSA-N 0 1 207.317 2.254 20 0 BEADMN CCc1noc(CN[C@H](C)C2CCCC2)n1 ZINC000393754271 410757998 /nfs/dbraw/zinc/75/79/98/410757998.db2.gz GUSICCFGWHWYOB-SECBINFHSA-N 0 1 223.320 2.300 20 0 BEADMN CC(C)CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194958561 167013924 /nfs/dbraw/zinc/01/39/24/167013924.db2.gz KDKOSQCNCZXWFX-GFCCVEGCSA-N 0 1 230.315 2.140 20 0 BEADMN CC(C)COC(=O)CN1CCCC12CCC2 ZINC000365623312 167020990 /nfs/dbraw/zinc/02/09/90/167020990.db2.gz GBRVRULHWGFVSD-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)OC1CC(N[C@H](C)c2ccon2)C1 ZINC000309374432 167175525 /nfs/dbraw/zinc/17/55/25/167175525.db2.gz QZHKQLXQQRAIMK-KPPDAEKUSA-N 0 1 224.304 2.281 20 0 BEADMN CC(C)ONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000295715297 167279021 /nfs/dbraw/zinc/27/90/21/167279021.db2.gz PSCJFVVZGMSPRT-LBPRGKRZSA-N 0 1 247.294 2.203 20 0 BEADMN CC(C)SCCN1C[C@H](C)O[C@@H](C)C1 ZINC000336680731 167328762 /nfs/dbraw/zinc/32/87/62/167328762.db2.gz GSPGRCSUEVRAHT-QWRGUYRKSA-N 0 1 217.378 2.237 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358739276 167355760 /nfs/dbraw/zinc/35/57/60/167355760.db2.gz PKWYWHKRGAJUKQ-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)[C@@H](C)N(C)CC(=O)c1cccn1C ZINC000035255802 167367794 /nfs/dbraw/zinc/36/77/94/167367794.db2.gz NTDLYOAYSIJFIE-LLVKDONJSA-N 0 1 222.332 2.184 20 0 BEADMN Cc1nccc(N(C)[C@H](C)CCO)c1Cl ZINC000651472425 411052060 /nfs/dbraw/zinc/05/20/60/411052060.db2.gz YLIHRKNPBFJRNI-MRVPVSSYSA-N 0 1 228.723 2.251 20 0 BEADMN CN(CCC(C)(C)C)C(=O)c1ccc(CN)o1 ZINC000399867593 411066609 /nfs/dbraw/zinc/06/66/09/411066609.db2.gz FEOXNPXDXWHHRZ-UHFFFAOYSA-N 0 1 238.331 2.247 20 0 BEADMN Cc1nc(CNCCC2(CO)CCC2)cs1 ZINC000652036155 411085868 /nfs/dbraw/zinc/08/58/68/411085868.db2.gz WQJQNFPLKOKVSH-UHFFFAOYSA-N 0 1 240.372 2.094 20 0 BEADMN c1cnc(CN2CC(C3CCCC3)C2)cn1 ZINC000334517303 411131878 /nfs/dbraw/zinc/13/18/78/411131878.db2.gz DDGOHUQVRREENH-UHFFFAOYSA-N 0 1 217.316 2.099 20 0 BEADMN CCCCN(C)C(=O)c1cc(CCC)[nH]n1 ZINC000044249952 411133293 /nfs/dbraw/zinc/13/32/93/411133293.db2.gz DWLNERSYLYFEID-UHFFFAOYSA-N 0 1 223.320 2.234 20 0 BEADMN Cc1cc(CNCc2cccc3c2CCC3)[nH]n1 ZINC000651720318 411138737 /nfs/dbraw/zinc/13/87/37/411138737.db2.gz WOIWFARGQFFORI-UHFFFAOYSA-N 0 1 241.338 2.497 20 0 BEADMN Cc1c[nH]nc1CN1CCC12CCCC2 ZINC000651873202 411148300 /nfs/dbraw/zinc/14/83/00/411148300.db2.gz XBXBKXIQLZXCOQ-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN Cc1cc(=O)n(CCCc2ccccc2)[nH]1 ZINC000109219533 411149456 /nfs/dbraw/zinc/14/94/56/411149456.db2.gz NLIGVDAMIQLXNH-UHFFFAOYSA-N 0 1 216.284 2.227 20 0 BEADMN O=c1cc(C2CC2)[nH]n1C1CCCCC1 ZINC000109279600 411149782 /nfs/dbraw/zinc/14/97/82/411149782.db2.gz FZFDEHNUTNTADW-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)[nH]n1 ZINC000652758932 411152338 /nfs/dbraw/zinc/15/23/38/411152338.db2.gz PZNRBLPDIZISMP-CMPLNLGQSA-N 0 1 249.358 2.202 20 0 BEADMN CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652759117 411153003 /nfs/dbraw/zinc/15/30/03/411153003.db2.gz XNOCDTSJQDPDHW-QJPTWQEYSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nc([C@@H](C)N2CCC3(CCC3)C2)n[nH]1 ZINC000660000556 411164350 /nfs/dbraw/zinc/16/43/50/411164350.db2.gz XSBBYLPHUIHGMB-SNVBAGLBSA-N 0 1 234.347 2.304 20 0 BEADMN CC(C)n1ccc(CN[C@H]2COC3(CCC3)C2)n1 ZINC000657889260 411154330 /nfs/dbraw/zinc/15/43/30/411154330.db2.gz JDRRHAVBSKNCMY-CYBMUJFWSA-N 0 1 249.358 2.265 20 0 BEADMN CC/C=C(\C)c1nc([C@@H]2CCCN2)no1 ZINC000309507683 411155004 /nfs/dbraw/zinc/15/50/04/411155004.db2.gz NWQGGCZUHVTLTJ-QRJSTWQJSA-N 0 1 207.277 2.307 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000123557871 411156426 /nfs/dbraw/zinc/15/64/26/411156426.db2.gz AXLSRMRUVBSGAB-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN CCn1cncc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652064219 411104244 /nfs/dbraw/zinc/10/42/44/411104244.db2.gz IQULRJYCIUSXGF-LLVKDONJSA-N 0 1 241.285 2.134 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000043512345 411120410 /nfs/dbraw/zinc/12/04/10/411120410.db2.gz ZEQNUXKTEUADRB-RISCZKNCSA-N 0 1 246.354 2.178 20 0 BEADMN COC1([C@@H](C)NCc2ncccc2F)CCC1 ZINC000657930615 411170917 /nfs/dbraw/zinc/17/09/17/411170917.db2.gz JKFVQSQGQBQTKI-SNVBAGLBSA-N 0 1 238.306 2.268 20 0 BEADMN CCc1nc([C@H](C)N2CCC=C(C)C2)n[nH]1 ZINC000660462755 411172719 /nfs/dbraw/zinc/17/27/19/411172719.db2.gz SULMMNKFFAYFTH-JTQLQIEISA-N 0 1 220.320 2.080 20 0 BEADMN C[C@H]1CCSCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000652445152 411243664 /nfs/dbraw/zinc/24/36/64/411243664.db2.gz HGSVFBBMEWFAKU-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CC(C)n1cc([C@@H](C)NCc2cncn2C)cn1 ZINC000264816071 167755184 /nfs/dbraw/zinc/75/51/84/167755184.db2.gz CKEWZLQNLPPLES-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN CC1(C)CC[C@@H](CN[C@@H]2CCCn3ccnc32)O1 ZINC000655756706 411187781 /nfs/dbraw/zinc/18/77/81/411187781.db2.gz WPXSINMWEVCADE-NWDGAFQWSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)CC[C@@H](O)CN1CC2(CC2(F)F)C1 ZINC000656154488 411188730 /nfs/dbraw/zinc/18/87/30/411188730.db2.gz KPMSAVPVNNVROQ-SNVBAGLBSA-N 0 1 233.302 2.125 20 0 BEADMN C[C@@H](N[C@@H](CO)CCF)c1ccncc1Cl ZINC000652300833 411192138 /nfs/dbraw/zinc/19/21/38/411192138.db2.gz MIRGVQBKZLRUQV-RKDXNWHRSA-N 0 1 246.713 2.106 20 0 BEADMN C[C@@H](N[C@@H](CO)CCF)c1cccc(F)c1F ZINC000652303087 411194306 /nfs/dbraw/zinc/19/43/06/411194306.db2.gz NYVOXEHYNZANBO-RKDXNWHRSA-N 0 1 247.260 2.336 20 0 BEADMN COCC1(CN[C@@H](C)c2ccon2)CCC1 ZINC000309976159 411194704 /nfs/dbraw/zinc/19/47/04/411194704.db2.gz SXNMYPDEBIDMOF-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000113675225 411244626 /nfs/dbraw/zinc/24/46/26/411244626.db2.gz TUZXEZAMOAGVFT-ZWNOBZJWSA-N 0 1 233.311 2.473 20 0 BEADMN COc1ccc2c(c1)CN(CC1CC1)C2 ZINC000653834051 411196395 /nfs/dbraw/zinc/19/63/95/411196395.db2.gz BDRULDFAMLJRBR-UHFFFAOYSA-N 0 1 203.285 2.421 20 0 BEADMN CC[C@H](NCc1ncc(C)cn1)[C@H]1CCCCO1 ZINC000653874549 411204691 /nfs/dbraw/zinc/20/46/91/411204691.db2.gz ILULSUJMLPQRLC-QWHCGFSZSA-N 0 1 249.358 2.222 20 0 BEADMN C[C@@H]1C[C@@H](NC2CC(C)(C)C2)c2ncnn21 ZINC000658102101 411246671 /nfs/dbraw/zinc/24/66/71/411246671.db2.gz NZDOPDHWYSBWPY-PSASIEDQSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@H](N[C@H]1COC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000658060747 411227085 /nfs/dbraw/zinc/22/70/85/411227085.db2.gz PUIWEGIIUGZWPL-WDEREUQCSA-N 0 1 249.358 2.047 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1ccoc1 ZINC000652408264 411230856 /nfs/dbraw/zinc/23/08/56/411230856.db2.gz RMVQHFCBTFTJOS-LLVKDONJSA-N 0 1 225.288 2.355 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000652418671 411236647 /nfs/dbraw/zinc/23/66/47/411236647.db2.gz GLOFUUFHEAGDCB-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](CO)C2CCC2)cs1 ZINC000658086606 411237776 /nfs/dbraw/zinc/23/77/76/411237776.db2.gz GLLRZCXTWLXVEU-KCJUWKMLSA-N 0 1 240.372 2.263 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(C)cc1 ZINC000047717506 411239770 /nfs/dbraw/zinc/23/97/70/411239770.db2.gz QMZLZEJGYPXCBR-UHFFFAOYSA-N 0 1 220.316 2.275 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@H](C)c1cnccn1 ZINC000658090424 411241393 /nfs/dbraw/zinc/24/13/93/411241393.db2.gz IVELYDZSKAFEHA-YPMHNXCESA-N 0 1 249.358 2.332 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000050427024 411262009 /nfs/dbraw/zinc/26/20/09/411262009.db2.gz HFSOJSGTFOSBLB-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1nsc2ccccc21 ZINC000660148250 411263682 /nfs/dbraw/zinc/26/36/82/411263682.db2.gz JITCBTGZTUDVMC-UWVGGRQHSA-N 0 1 248.351 2.251 20 0 BEADMN CN(Cc1cn(CCF)nn1)C1CCCCC1 ZINC000656455086 411264012 /nfs/dbraw/zinc/26/40/12/411264012.db2.gz ZFTRCJRMOJUYOO-UHFFFAOYSA-N 0 1 240.326 2.012 20 0 BEADMN CCc1nocc1CN1CC[C@H](C(F)F)C1 ZINC000660148024 411264050 /nfs/dbraw/zinc/26/40/50/411264050.db2.gz SGQRGSIDJPJUGT-QMMMGPOBSA-N 0 1 230.258 2.324 20 0 BEADMN CCC[C@@H](NC/C=C\CO)c1ccccn1 ZINC000658142829 411265753 /nfs/dbraw/zinc/26/57/53/411265753.db2.gz ZKJKEOLEJZFBRG-FOQNGQEVSA-N 0 1 220.316 2.061 20 0 BEADMN CCNCc1cn([C@]2(C)CCCC[C@@H]2C)nn1 ZINC000656459169 411269431 /nfs/dbraw/zinc/26/94/31/411269431.db2.gz PZNOOLVEMUAKFR-WCQYABFASA-N 0 1 236.363 2.313 20 0 BEADMN C[C@@H]1CN(Cc2nsc3ccccc32)C[C@@H]1O ZINC000660159901 411271490 /nfs/dbraw/zinc/27/14/90/411271490.db2.gz HOYGQMDVWPYPPI-SKDRFNHKSA-N 0 1 248.351 2.109 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000659786649 411272274 /nfs/dbraw/zinc/27/22/74/411272274.db2.gz UPMZENFYZCPYHI-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H]1CN(Cc2cc(C3CC3)no2)[C@@H](C)CN1C ZINC000660163897 411273575 /nfs/dbraw/zinc/27/35/75/411273575.db2.gz BEAXUWQVSYKMHT-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CNC(C)(C)c1cn(-c2ccccc2C)nn1 ZINC000656452329 411273833 /nfs/dbraw/zinc/27/38/33/411273833.db2.gz NYUJEZVBDJCRSF-UHFFFAOYSA-N 0 1 230.315 2.030 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000659788635 411277238 /nfs/dbraw/zinc/27/72/38/411277238.db2.gz RDJPPJBEWGTPFC-GFCCVEGCSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)=CCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000659789205 411277824 /nfs/dbraw/zinc/27/78/24/411277824.db2.gz QVCLDDCUTROXEU-NSHDSACASA-N 0 1 243.372 2.235 20 0 BEADMN C[C@H](NCCO[C@H]1CC1(F)F)c1nccs1 ZINC000658167596 411278158 /nfs/dbraw/zinc/27/81/58/411278158.db2.gz FCWHEKJLPGDSBE-YUMQZZPRSA-N 0 1 248.298 2.218 20 0 BEADMN CC(C)=CCC[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000660169739 411278236 /nfs/dbraw/zinc/27/82/36/411278236.db2.gz AIOJXGAVDJHHSF-SECBINFHSA-N 0 1 225.254 2.198 20 0 BEADMN CC/C=C\CCN(C)Cc1cnccn1 ZINC000342213557 167858904 /nfs/dbraw/zinc/85/89/04/167858904.db2.gz YTFLEHBFFVXHFE-PLNGDYQASA-N 0 1 205.305 2.265 20 0 BEADMN CCn1cc(CN[C@@H]2CCC23CCCC3)nn1 ZINC000658176058 411282655 /nfs/dbraw/zinc/28/26/55/411282655.db2.gz KOEFMQWHYMEYEU-GFCCVEGCSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccn(C)n1 ZINC000658216359 411296643 /nfs/dbraw/zinc/29/66/43/411296643.db2.gz RIJQQKRCCWSNAL-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccn(C)n1 ZINC000658216357 411297244 /nfs/dbraw/zinc/29/72/44/411297244.db2.gz RIJQQKRCCWSNAL-IJLUTSLNSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@]2(C)CC2(F)F)nn1C ZINC000658220808 411300193 /nfs/dbraw/zinc/30/01/93/411300193.db2.gz IQKNCEUPWRLBGM-MWLCHTKSSA-N 0 1 243.301 2.424 20 0 BEADMN Cc1nc(CN[C@H](CO)C2CCCCC2)co1 ZINC000660237456 411302766 /nfs/dbraw/zinc/30/27/66/411302766.db2.gz DHEPJVHPELKUBQ-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN C[C@H](N[C@@]1(C)CC1(C)C)c1nccn1C ZINC000658309560 411330741 /nfs/dbraw/zinc/33/07/41/411330741.db2.gz XFIVLICRCMSGJV-CABZTGNLSA-N 0 1 207.321 2.259 20 0 BEADMN C[C@@H](N[C@@]1(C)CC1(C)C)c1nccn1C ZINC000658309564 411330999 /nfs/dbraw/zinc/33/09/99/411330999.db2.gz XFIVLICRCMSGJV-SKDRFNHKSA-N 0 1 207.321 2.259 20 0 BEADMN c1nc(C2CC2)ncc1CN1CC(C2CC2)C1 ZINC000656630288 411310990 /nfs/dbraw/zinc/31/09/90/411310990.db2.gz QSNLBDXLMIIWLU-UHFFFAOYSA-N 0 1 229.327 2.196 20 0 BEADMN C[C@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000359680471 411313546 /nfs/dbraw/zinc/31/35/46/411313546.db2.gz KFAZIQDHDLKAQM-LLVKDONJSA-N 0 1 243.310 2.220 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccsc1 ZINC000058124323 411314553 /nfs/dbraw/zinc/31/45/53/411314553.db2.gz IHFQTDLDARUWRM-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(O)c1 ZINC000656647832 411315857 /nfs/dbraw/zinc/31/58/57/411315857.db2.gz LETXDAVZXKMQQA-TXEJJXNPSA-N 0 1 231.295 2.088 20 0 BEADMN CC1(C)CCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000094267216 167915832 /nfs/dbraw/zinc/91/58/32/167915832.db2.gz VSBHTDZSVYTPDW-MRVPVSSYSA-N 0 1 231.303 2.344 20 0 BEADMN CO[C@H](CN[C@H](C)c1cnccn1)C1CCCC1 ZINC000658316682 411332403 /nfs/dbraw/zinc/33/24/03/411332403.db2.gz RUERACXAVZIHCY-BXUZGUMPSA-N 0 1 249.358 2.332 20 0 BEADMN Cc1noc(C)c1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852759 411320427 /nfs/dbraw/zinc/32/04/27/411320427.db2.gz GBPAIROIHDRPHX-ZJUUUORDSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1cc([C@H](C)NCC2=CCCC2)nn1C ZINC000658291147 411324360 /nfs/dbraw/zinc/32/43/60/411324360.db2.gz LRPDMZYNGHPQCZ-NSHDSACASA-N 0 1 219.332 2.489 20 0 BEADMN Cc1nc(CNC2(C3CC3)CC2)c(C)o1 ZINC000660252766 411325566 /nfs/dbraw/zinc/32/55/66/411325566.db2.gz DWEHETXLKJBYJV-UHFFFAOYSA-N 0 1 206.289 2.324 20 0 BEADMN CC1(C)SC[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655766243 411248632 /nfs/dbraw/zinc/24/86/32/411248632.db2.gz OGNSVZMEJMDUAT-NXEZZACHSA-N 0 1 237.372 2.202 20 0 BEADMN Cc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)nc1 ZINC000652466868 411249263 /nfs/dbraw/zinc/24/92/63/411249263.db2.gz ANEDOUVCECHYJK-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@H]1CC[C@H]([NH2+]Cc2ncccc2[O-])CS1 ZINC000655768484 411250820 /nfs/dbraw/zinc/25/08/20/411250820.db2.gz FTFITGXQKMIKFW-UWVGGRQHSA-N 0 1 238.356 2.161 20 0 BEADMN CC(C)[N@H+](CCC(=O)[O-])CC[C@@H]1CCCCO1 ZINC000652477709 411251753 /nfs/dbraw/zinc/25/17/53/411251753.db2.gz IHUFCLKTUNXCNI-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN COc1ccc(C)cc1[C@H](C)NC/C=C/CO ZINC000658131490 411255156 /nfs/dbraw/zinc/25/51/56/411255156.db2.gz CDOKOECEALTMCH-ITKZLYELSA-N 0 1 235.327 2.203 20 0 BEADMN CCc1ccc([C@H](C)NC/C=C\CO)o1 ZINC000658131698 411255564 /nfs/dbraw/zinc/25/55/64/411255564.db2.gz DBCOTMDSXDYQEF-LWTINBJPSA-N 0 1 209.289 2.041 20 0 BEADMN Cc1cc([C@H](C)NC/C=C\CO)c(C)o1 ZINC000658132658 411256432 /nfs/dbraw/zinc/25/64/32/411256432.db2.gz APCRESVROLZNCQ-LWTINBJPSA-N 0 1 209.289 2.096 20 0 BEADMN C[C@@H](C[N@@H+](CC1=CCCC1)C1CC1)C(=O)[O-] ZINC000652488863 411258266 /nfs/dbraw/zinc/25/82/66/411258266.db2.gz QFJXFVQDNQDJQV-JTQLQIEISA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@H](NC/C=C\CO)c1cc(F)ccc1F ZINC000658133509 411258282 /nfs/dbraw/zinc/25/82/82/411258282.db2.gz MWPGIIUCSDVUQH-PKRMOACSSA-N 0 1 227.254 2.164 20 0 BEADMN C[C@H](N[C@H]1C[C@H](O)C1)c1cccc(F)c1F ZINC000658349279 411350437 /nfs/dbraw/zinc/35/04/37/411350437.db2.gz IPBDAVBDSCRDPK-CIUDSAMLSA-N 0 1 227.254 2.139 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ncccc12 ZINC000656756258 411351787 /nfs/dbraw/zinc/35/17/87/411351787.db2.gz JPZYYELZCWWZPV-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN C[C@H](NCc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000660265499 411352037 /nfs/dbraw/zinc/35/20/37/411352037.db2.gz ZBSJAWKLRQZNFC-ZANVPECISA-N 0 1 236.315 2.209 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000304183129 411352887 /nfs/dbraw/zinc/35/28/87/411352887.db2.gz NEBKFKVMIAYKGO-JTQLQIEISA-N 0 1 247.285 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760305 411355212 /nfs/dbraw/zinc/35/52/12/411355212.db2.gz BWBNWBCCGYOJCO-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1CCCCCC(=O)[O-] ZINC000123859368 411356617 /nfs/dbraw/zinc/35/66/17/411356617.db2.gz KXUOIESZWWDHIR-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1CN(Cc2cccc(N)c2)[C@@H](C)CO1 ZINC000403756343 411357795 /nfs/dbraw/zinc/35/77/95/411357795.db2.gz YVWKAOVLPMREHJ-FZMZJTMJSA-N 0 1 234.343 2.268 20 0 BEADMN Cc1cc(NC[C@H](CC(=O)[O-])C2CC2)nc(C)[nH+]1 ZINC000656785315 411360909 /nfs/dbraw/zinc/36/09/09/411360909.db2.gz WDJMURGXAWXOHF-NSHDSACASA-N 0 1 249.314 2.006 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000071203115 411373541 /nfs/dbraw/zinc/37/35/41/411373541.db2.gz JQNOFSIOWOHZTR-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])CC1 ZINC000071203091 411373741 /nfs/dbraw/zinc/37/37/41/411373741.db2.gz YROAJHNTKKZQID-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@@H](CN(C1CC1)C1COC1)C1CCCC1 ZINC000660648889 411371486 /nfs/dbraw/zinc/37/14/86/411371486.db2.gz YKRQWASWMJUAOF-AWEZNQCLSA-N 0 1 239.359 2.055 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cn2ccccc2n1 ZINC000658330590 411338317 /nfs/dbraw/zinc/33/83/17/411338317.db2.gz FKLUPCZSDVFKHZ-QKCSRTOESA-N 0 1 245.326 2.162 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCn2cncc2C1 ZINC000660584670 411338958 /nfs/dbraw/zinc/33/89/58/411338958.db2.gz UIANEIOMXQZZGU-JTQLQIEISA-N 0 1 243.301 2.380 20 0 BEADMN CCN1CC[C@H](N(C)Cc2cccc(C)c2)C1=O ZINC000659849873 411342421 /nfs/dbraw/zinc/34/24/21/411342421.db2.gz SZKSPESKVSDOBJ-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CCC1CCCC1 ZINC000656760929 411344792 /nfs/dbraw/zinc/34/47/92/411344792.db2.gz LZJIHKNVYHJNIK-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN CC1(CNc2ccc3c(n2)CCC3)COC1 ZINC000295194911 168047797 /nfs/dbraw/zinc/04/77/97/168047797.db2.gz JZSREODMBPYWIQ-UHFFFAOYSA-N 0 1 218.300 2.019 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccc(Cl)cn1 ZINC000336625183 168007108 /nfs/dbraw/zinc/00/71/08/168007108.db2.gz ONYKHUIPZKJDEN-LLVKDONJSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656760830 411345365 /nfs/dbraw/zinc/34/53/65/411345365.db2.gz KECFXAXPNOHRJQ-UHFFFAOYSA-N 0 1 249.285 2.183 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]21 ZINC000263374075 168012372 /nfs/dbraw/zinc/01/23/72/168012372.db2.gz ZRNUBMKSCYCKNN-BETUJISGSA-N 0 1 245.322 2.473 20 0 BEADMN C[C@@H](C[N@H+]1CC2CC1(C(=O)[O-])C2)c1ccccc1 ZINC000656761447 411346377 /nfs/dbraw/zinc/34/63/77/411346377.db2.gz SGBFZMKWOFDLPO-BZUNDVKYSA-N 0 1 245.322 2.339 20 0 BEADMN CC1(CNC(=O)c2ccc3cncn3c2)CCC1 ZINC000285368624 168037294 /nfs/dbraw/zinc/03/72/94/168037294.db2.gz SZCCDAHQJKFNEZ-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CC1(NC(=O)c2n[nH]c3ccccc32)CCC1 ZINC000125699661 168062692 /nfs/dbraw/zinc/06/26/92/168062692.db2.gz CMGNPJOMWFRTGY-UHFFFAOYSA-N 0 1 229.283 2.235 20 0 BEADMN C[C@@H](CNC(=O)[C@@](C)(N)c1ccccc1)C1CC1 ZINC000125504636 411376965 /nfs/dbraw/zinc/37/69/65/411376965.db2.gz RTPUEWLARVVONS-NHYWBVRUSA-N 0 1 246.354 2.023 20 0 BEADMN CC1=C(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000333386050 168078215 /nfs/dbraw/zinc/07/82/15/168078215.db2.gz BQKWPRGSENLNTF-GFCCVEGCSA-N 0 1 245.326 2.404 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2[C@@H](C)O)c(C)o1 ZINC000659905447 411379317 /nfs/dbraw/zinc/37/93/17/411379317.db2.gz ARZAXVAGLYYYQH-NOZJJQNGSA-N 0 1 238.331 2.027 20 0 BEADMN CC1=CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000336402138 168098500 /nfs/dbraw/zinc/09/85/00/168098500.db2.gz CGPCUXRPZVSHLM-UHFFFAOYSA-N 0 1 231.299 2.079 20 0 BEADMN Cc1cnc([C@H](C)N2CCC=C(C)C2)cn1 ZINC000336515673 168099315 /nfs/dbraw/zinc/09/93/15/168099315.db2.gz YBYGAVMNIDTXBP-LBPRGKRZSA-N 0 1 217.316 2.498 20 0 BEADMN CC1=CCCN([C@H](C)c2cnccn2)C1 ZINC000280810664 168099320 /nfs/dbraw/zinc/09/93/20/168099320.db2.gz LZTUCTQVCBQWEI-LLVKDONJSA-N 0 1 203.289 2.190 20 0 BEADMN CC1=CCCN([C@@H](C)c2cnccn2)C1 ZINC000280810666 168099412 /nfs/dbraw/zinc/09/94/12/168099412.db2.gz LZTUCTQVCBQWEI-NSHDSACASA-N 0 1 203.289 2.190 20 0 BEADMN CC1=CCN(CCOCC(F)(F)F)CC1 ZINC000336645492 168111813 /nfs/dbraw/zinc/11/18/13/168111813.db2.gz IAULWOJOUDPSIL-UHFFFAOYSA-N 0 1 223.238 2.217 20 0 BEADMN CC1=CCN(CCNc2ncccc2F)CC1 ZINC000358345708 168112436 /nfs/dbraw/zinc/11/24/36/168112436.db2.gz SUVFQSYZMNBYDG-UHFFFAOYSA-N 0 1 235.306 2.285 20 0 BEADMN CC1=CCN(Cc2cnc3ccccn23)CC1 ZINC000336359331 168114592 /nfs/dbraw/zinc/11/45/92/168114592.db2.gz HUUUCTYAIAWDSQ-UHFFFAOYSA-N 0 1 227.311 2.486 20 0 BEADMN CC1=CCN(Cc2cccc3nccn32)CC1 ZINC000271828899 168115510 /nfs/dbraw/zinc/11/55/10/168115510.db2.gz OJGCCDLDGRMVQT-UHFFFAOYSA-N 0 1 227.311 2.486 20 0 BEADMN CC1=C[C@@H](C)CN(Cc2ccnc(C)n2)C1 ZINC000336615524 168123441 /nfs/dbraw/zinc/12/34/41/168123441.db2.gz SZTMPFMMBMHFKN-SNVBAGLBSA-N 0 1 217.316 2.183 20 0 BEADMN Cc1cc(=O)n(CCCOc2ccccc2)[nH]1 ZINC000109351748 168133451 /nfs/dbraw/zinc/13/34/51/168133451.db2.gz KOYNJQOQXQRIMQ-UHFFFAOYSA-N 0 1 232.283 2.064 20 0 BEADMN Cc1[nH]n(-c2cccc(F)c2)c(=O)c1C ZINC000103755587 168133576 /nfs/dbraw/zinc/13/35/76/168133576.db2.gz NQIMNJAERZOGND-SSDOTTSWSA-N 0 1 206.220 2.184 20 0 BEADMN Cc1[nH]n(-c2cccc(F)c2)c(=O)c1C ZINC000103755592 168133879 /nfs/dbraw/zinc/13/38/79/168133879.db2.gz NQIMNJAERZOGND-ZETCQYMHSA-N 0 1 206.220 2.184 20 0 BEADMN CC1CC(NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000276585647 168145580 /nfs/dbraw/zinc/14/55/80/168145580.db2.gz VNAZADGQXPPABF-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN CC1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC000042398066 168157870 /nfs/dbraw/zinc/15/78/70/168157870.db2.gz LAZJWRARDIAYNQ-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN CCC(=O)CCN1CCc2ccc(OC)cc2C1 ZINC000190199183 168203205 /nfs/dbraw/zinc/20/32/05/168203205.db2.gz ZPHPEOPWAITPCK-UHFFFAOYSA-N 0 1 247.338 2.423 20 0 BEADMN CCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000299374774 168231892 /nfs/dbraw/zinc/23/18/92/168231892.db2.gz SJTVTXLSLVVXPA-NSHDSACASA-N 0 1 238.331 2.189 20 0 BEADMN CCC(C)(C)C(=O)NCCN1CC=C(C)CC1 ZINC000355328368 168265544 /nfs/dbraw/zinc/26/55/44/168265544.db2.gz ZCBKSXLZLMKVDI-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161517696 168266829 /nfs/dbraw/zinc/26/68/29/168266829.db2.gz AOSGXUVTVKXIOX-VIFPVBQESA-N 0 1 237.347 2.202 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358707021 168271551 /nfs/dbraw/zinc/27/15/51/168271551.db2.gz KTBLDLRDNVBMDZ-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358707021 168271552 /nfs/dbraw/zinc/27/15/52/168271552.db2.gz KTBLDLRDNVBMDZ-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC000192226307 168280811 /nfs/dbraw/zinc/28/08/11/168280811.db2.gz ADLJLTXHYMUHOQ-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN CCC(C)(C)N(C)Cc1nc(C(=O)OC)co1 ZINC000331313298 168288238 /nfs/dbraw/zinc/28/82/38/168288238.db2.gz IDYVPZZUKBAGKB-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C ZINC000339570442 168295830 /nfs/dbraw/zinc/29/58/30/168295830.db2.gz YEIIBGQCMFAZOQ-VWYCJHECSA-N 0 1 226.364 2.020 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000659794781 411455682 /nfs/dbraw/zinc/45/56/82/411455682.db2.gz UJAQPJDHHKJQLI-BDAKNGLRSA-N 0 1 237.290 2.463 20 0 BEADMN CC[C@H]1C[C@H](NCc2nc(C)cs2)CO1 ZINC000657301636 411455855 /nfs/dbraw/zinc/45/58/55/411455855.db2.gz KIZRHHCFNBGJPA-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799554 411456883 /nfs/dbraw/zinc/45/68/83/411456883.db2.gz FKFPUCPUEASXJO-LSJOCFKGSA-N 0 1 237.324 2.216 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802108 411458431 /nfs/dbraw/zinc/45/84/31/411458431.db2.gz PMDDKAVYLUZYFV-KLPPZKSPSA-N 0 1 237.274 2.121 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000659804263 411459084 /nfs/dbraw/zinc/45/90/84/411459084.db2.gz VACQWJURVPASLW-LBPRGKRZSA-N 0 1 233.311 2.123 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802336 411459226 /nfs/dbraw/zinc/45/92/26/411459226.db2.gz SIYQPRKQHDCWTL-SDDRHHMPSA-N 0 1 227.348 2.464 20 0 BEADMN COc1cccc(CN(C)C[C@H](C)O)c1Cl ZINC000659953717 411397381 /nfs/dbraw/zinc/39/73/81/411397381.db2.gz SUTDYAQTPUKQLX-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN CC(C)CCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000654470787 411401593 /nfs/dbraw/zinc/40/15/93/411401593.db2.gz ULKWIEBJCJDIGI-NSHDSACASA-N 0 1 237.347 2.093 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])C1CC(C)(C)C1 ZINC000657193468 411417024 /nfs/dbraw/zinc/41/70/24/411417024.db2.gz LLWUELYNPJWLEQ-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])C1CC(C)(C)C1 ZINC000657193468 411417025 /nfs/dbraw/zinc/41/70/25/411417025.db2.gz LLWUELYNPJWLEQ-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1cc(CNC2C(C)(C)C2(C)C)nn1C ZINC000414441223 411418415 /nfs/dbraw/zinc/41/84/15/411418415.db2.gz JJCQBENXKKFNJV-UHFFFAOYSA-N 0 1 221.348 2.253 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)CC2(C)C)n[nH]1 ZINC000266946446 411419037 /nfs/dbraw/zinc/41/90/37/411419037.db2.gz YGITXDUJVPASNN-SECBINFHSA-N 0 1 235.331 2.233 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)CC2(C)C)n[nH]1 ZINC000266946449 411419266 /nfs/dbraw/zinc/41/92/66/411419266.db2.gz YGITXDUJVPASNN-VIFPVBQESA-N 0 1 235.331 2.233 20 0 BEADMN Cc1ccc(CN2CCC[C@@H]3COC[C@@H]32)nc1 ZINC000657215148 411419741 /nfs/dbraw/zinc/41/97/41/411419741.db2.gz LMVYUHCEHOASON-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCCN1C ZINC000654647666 411421953 /nfs/dbraw/zinc/42/19/53/411421953.db2.gz DDBBJECHFNOEQB-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@]1(C)CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000653560754 411422582 /nfs/dbraw/zinc/42/25/82/411422582.db2.gz BQWIQKHHRMYTNP-FZMZJTMJSA-N 0 1 248.374 2.462 20 0 BEADMN CCc1nc([C@H](C)Sc2nncs2)n[nH]1 ZINC000657233541 411423635 /nfs/dbraw/zinc/42/36/35/411423635.db2.gz YQSLZPVQWHXKQT-YFKPBYRVSA-N 0 1 241.345 2.072 20 0 BEADMN Cc1cccc(C)c1Cn1ccnc1CN ZINC000126244200 411424405 /nfs/dbraw/zinc/42/44/05/411424405.db2.gz PUCUYTMBDXOYST-UHFFFAOYSA-N 0 1 215.300 2.007 20 0 BEADMN CCc1nnc(SCC[C@@H](C)C(C)=O)[nH]1 ZINC000657239447 411427778 /nfs/dbraw/zinc/42/77/78/411427778.db2.gz MPPCPFQRPLINFY-SSDOTTSWSA-N 0 1 227.333 2.074 20 0 BEADMN CCc1n[nH]c(SCC[C@@H](C)C(C)=O)n1 ZINC000657239447 411427779 /nfs/dbraw/zinc/42/77/79/411427779.db2.gz MPPCPFQRPLINFY-SSDOTTSWSA-N 0 1 227.333 2.074 20 0 BEADMN COC[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000271157316 411428512 /nfs/dbraw/zinc/42/85/12/411428512.db2.gz DLXWSUHWIUPKGJ-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccccc1F ZINC000071005382 411431057 /nfs/dbraw/zinc/43/10/57/411431057.db2.gz HICKFMATQHYCQC-UHFFFAOYSA-N 0 1 218.231 2.328 20 0 BEADMN COCc1ccc(SCCc2c[nH]nn2)cc1 ZINC000657251389 411434353 /nfs/dbraw/zinc/43/43/53/411434353.db2.gz JJOXURGWXRGIOS-UHFFFAOYSA-N 0 1 249.339 2.286 20 0 BEADMN CC(C)=CCCN1CCNC(=O)[C@@H]1CC(C)C ZINC000660372027 411442012 /nfs/dbraw/zinc/44/20/12/411442012.db2.gz JCVMWDLFEJJOHX-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN CCN(Cc1ccc(COC)o1)[C@@H]1CCOC1 ZINC000361237050 169905630 /nfs/dbraw/zinc/90/56/30/169905630.db2.gz MNJPOLSNIBHAEB-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN C[C@@](O)(CCNCc1cocn1)c1ccccc1 ZINC000277059516 411443780 /nfs/dbraw/zinc/44/37/80/411443780.db2.gz RGTIBBSMLRNSFG-CQSZACIVSA-N 0 1 246.310 2.062 20 0 BEADMN CCNCc1c(F)cncc1Br ZINC000657293311 411450102 /nfs/dbraw/zinc/45/01/02/411450102.db2.gz WOUNDUXVSFRALO-UHFFFAOYSA-N 0 1 233.084 2.093 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000659786123 411453765 /nfs/dbraw/zinc/45/37/65/411453765.db2.gz LDNGMFUFMUKFKB-RKDXNWHRSA-N 0 1 237.290 2.320 20 0 BEADMN CSc1cccc(CN2CCN(C)CC2)c1 ZINC000659832556 411468205 /nfs/dbraw/zinc/46/82/05/411468205.db2.gz VMGGZVUIMZRLBD-UHFFFAOYSA-N 0 1 236.384 2.156 20 0 BEADMN CN(CCCc1ccccc1)Cc1cn(C)cn1 ZINC000659838379 411471216 /nfs/dbraw/zinc/47/12/16/411471216.db2.gz HTDRFRRWTAVMSK-UHFFFAOYSA-N 0 1 243.354 2.485 20 0 BEADMN COCCN(Cc1nc(C)oc1C)CC(C)C ZINC000659841541 411472366 /nfs/dbraw/zinc/47/23/66/411472366.db2.gz CUQOMSSOPWDDDU-UHFFFAOYSA-N 0 1 240.347 2.396 20 0 BEADMN CCCN(CC(F)F)[C@H](C)c1n[nH]c(CC)n1 ZINC000659868022 411482300 /nfs/dbraw/zinc/48/23/00/411482300.db2.gz LYGWXSGIHQPOJY-MRVPVSSYSA-N 0 1 246.305 2.405 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2ccn(C(C)C)n2)CO1 ZINC000657371160 411484393 /nfs/dbraw/zinc/48/43/93/411484393.db2.gz OTVIUYORQVYKTG-CHWSQXEVSA-N 0 1 237.347 2.121 20 0 BEADMN c1c(CNC2(C3CC3)CC2)nnn1C1CCC1 ZINC000657398048 411495539 /nfs/dbraw/zinc/49/55/39/411495539.db2.gz HWRVZTIOJGRBGL-UHFFFAOYSA-N 0 1 232.331 2.035 20 0 BEADMN COCC1(NCc2ccc(F)c(F)c2F)CC1 ZINC000657400726 411496136 /nfs/dbraw/zinc/49/61/36/411496136.db2.gz VADMBCRTQIQIKK-UHFFFAOYSA-N 0 1 245.244 2.373 20 0 BEADMN Cc1cc(CNC(=O)C2(C3CCC3)CCC2)n[nH]1 ZINC000653413671 411496248 /nfs/dbraw/zinc/49/62/48/411496248.db2.gz MDQPBTVKLUDBNA-UHFFFAOYSA-N 0 1 247.342 2.305 20 0 BEADMN CC[C@H](C)CN(C)Cc1cc(OC)no1 ZINC000659916861 411496579 /nfs/dbraw/zinc/49/65/79/411496579.db2.gz PARPUXMPMCMYGR-VIFPVBQESA-N 0 1 212.293 2.161 20 0 BEADMN Cc1c[nH]c(CNC[C@H](C)c2c(C)noc2C)n1 ZINC000657415469 411500034 /nfs/dbraw/zinc/50/00/34/411500034.db2.gz KIWIMSJESFQWBZ-QMMMGPOBSA-N 0 1 248.330 2.216 20 0 BEADMN CC1(C)C[C@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)CO1 ZINC000660077859 411534293 /nfs/dbraw/zinc/53/42/93/411534293.db2.gz QOWOZFALETTWOD-RYUDHWBXSA-N 0 1 249.358 2.157 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000655150397 411506244 /nfs/dbraw/zinc/50/62/44/411506244.db2.gz MCIXTSAOBWENEX-WRWGMCAJSA-N 0 1 249.358 2.091 20 0 BEADMN COC1(CNCc2nccn2C(C)C)CCC1 ZINC000657430068 411507894 /nfs/dbraw/zinc/50/78/94/411507894.db2.gz LZOAEUCBXRZSOK-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN COc1cc(CN2C[C@@H](C)CC[C@H]2C)on1 ZINC000659970599 411513013 /nfs/dbraw/zinc/51/30/13/411513013.db2.gz KWFAIGSSJUQNGW-VHSXEESVSA-N 0 1 224.304 2.304 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2cn(C)cn2)C1 ZINC000659976146 411516689 /nfs/dbraw/zinc/51/66/89/411516689.db2.gz QXNABGJXDCBBAZ-ZDUSSCGKSA-N 0 1 221.348 2.432 20 0 BEADMN CC(=O)N1CC(NCc2ccc(C(C)C)cc2)C1 ZINC000655805029 411519580 /nfs/dbraw/zinc/51/95/80/411519580.db2.gz IUHOUCPUUOOJRD-UHFFFAOYSA-N 0 1 246.354 2.130 20 0 BEADMN Cc1nc(CN2CC[C@@H](C(C)C)C2)co1 ZINC000659997197 411523858 /nfs/dbraw/zinc/52/38/58/411523858.db2.gz RKHGRGKQFMLLPY-LLVKDONJSA-N 0 1 208.305 2.461 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000659998095 411523895 /nfs/dbraw/zinc/52/38/95/411523895.db2.gz MWOAUOKQGRQMJG-MXWKQRLJSA-N 0 1 234.347 2.160 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](CC)C2)[nH]1 ZINC000659997566 411524035 /nfs/dbraw/zinc/52/40/35/411524035.db2.gz SSQISNNZWHWQPO-ZJUUUORDSA-N 0 1 222.336 2.160 20 0 BEADMN CC(C)n1ccnc1CNCC[C@H](C)F ZINC000657475465 411524662 /nfs/dbraw/zinc/52/46/62/411524662.db2.gz UQNLJCBLJYQYTF-JTQLQIEISA-N 0 1 213.300 2.302 20 0 BEADMN C[C@@H]1OCCN(CCOCc2ccccc2)[C@H]1C ZINC000660014039 411528880 /nfs/dbraw/zinc/52/88/80/411528880.db2.gz ZVTAQIFZCWOSKT-KBPBESRZSA-N 0 1 249.354 2.312 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)CO1 ZINC000657485107 411530453 /nfs/dbraw/zinc/53/04/53/411530453.db2.gz WXSUPJBRPMSXCP-WRWGMCAJSA-N 0 1 235.331 2.046 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nccn2C(C)C)C1 ZINC000657487772 411530953 /nfs/dbraw/zinc/53/09/53/411530953.db2.gz GWTJTQJFPLZTCQ-TXEJJXNPSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1c[nH]c(CNCCOc2ccccc2C)n1 ZINC000657324858 411464778 /nfs/dbraw/zinc/46/47/78/411464778.db2.gz ZKRIVUWYCYOOOO-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1ccc(CN(C)CCO[C@@H]2CC2(F)F)o1 ZINC000659826558 411464941 /nfs/dbraw/zinc/46/49/41/411464941.db2.gz HQLJJQDBSJCUPH-LLVKDONJSA-N 0 1 245.269 2.444 20 0 BEADMN CC[C@@]1(NCc2cc(C3CC3)no2)CCOC1 ZINC000660404010 411465120 /nfs/dbraw/zinc/46/51/20/411465120.db2.gz VQVILKNQSDNKSO-CYBMUJFWSA-N 0 1 236.315 2.211 20 0 BEADMN CCc1nnc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000657323840 411465339 /nfs/dbraw/zinc/46/53/39/411465339.db2.gz UCUGUYBRGVDYRO-ZNSHCXBVSA-N 0 1 235.331 2.471 20 0 BEADMN CCN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374149256 170001905 /nfs/dbraw/zinc/00/19/05/170001905.db2.gz RHAPHSDWKJXPHX-ZDUSSCGKSA-N 0 1 244.338 2.431 20 0 BEADMN CC[C@H](CC(F)F)CN1CCc2c[nH]nc2C1 ZINC000660119761 411539418 /nfs/dbraw/zinc/53/94/18/411539418.db2.gz WTYDPYZYKPLFGW-SECBINFHSA-N 0 1 243.301 2.449 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCc2c[nH]nc2C1 ZINC000660119762 411539483 /nfs/dbraw/zinc/53/94/83/411539483.db2.gz WTYDPYZYKPLFGW-VIFPVBQESA-N 0 1 243.301 2.449 20 0 BEADMN CCc1nc([C@@H](C)N(C)CCC2CC2)n[nH]1 ZINC000660118018 411539748 /nfs/dbraw/zinc/53/97/48/411539748.db2.gz RYPQINIMBLJDNL-SECBINFHSA-N 0 1 222.336 2.160 20 0 BEADMN CCNC(=O)CN(C)[C@H](C)c1ccccc1C ZINC000340638249 170055715 /nfs/dbraw/zinc/05/57/15/170055715.db2.gz NKMXZTWGDZCCEW-GFCCVEGCSA-N 0 1 234.343 2.124 20 0 BEADMN CCNC(=O)CN(CC)Cc1ccc(C)c(C)c1 ZINC000119327950 170056948 /nfs/dbraw/zinc/05/69/48/170056948.db2.gz GWGUGMRUZNCUKB-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1COC(C)(C)C1 ZINC000657531050 411544127 /nfs/dbraw/zinc/54/41/27/411544127.db2.gz HNZLBKCDPBRVAH-LLVKDONJSA-N 0 1 237.347 2.121 20 0 BEADMN c1c(CN2CCCSCC2)onc1C1CC1 ZINC000660139448 411544313 /nfs/dbraw/zinc/54/43/13/411544313.db2.gz AEXLGTVVKDLRPE-UHFFFAOYSA-N 0 1 238.356 2.491 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000036795347 170088299 /nfs/dbraw/zinc/08/82/99/170088299.db2.gz PEEZBCGWYCQJQG-VHSXEESVSA-N 0 1 238.331 2.072 20 0 BEADMN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1 ZINC000035138391 170095769 /nfs/dbraw/zinc/09/57/69/170095769.db2.gz MIHDZLWOBYPPHU-ZJUUUORDSA-N 0 1 238.306 2.001 20 0 BEADMN CCNC(=O)[C@H](C)N[C@H](C)c1csc(C)c1 ZINC000294109748 170095942 /nfs/dbraw/zinc/09/59/42/170095942.db2.gz CRNGMFQZZWWBBO-ZJUUUORDSA-N 0 1 240.372 2.232 20 0 BEADMN CCc1ccc(C)nc1N[C@@H]1CCOC1 ZINC000657579414 411553977 /nfs/dbraw/zinc/55/39/77/411553977.db2.gz PBKMNZNEDOOEEW-LLVKDONJSA-N 0 1 206.289 2.153 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@@H](C(F)F)C2)n[nH]1 ZINC000660146273 411545730 /nfs/dbraw/zinc/54/57/30/411545730.db2.gz FPXHEKQVMPSPDT-JGVFFNPUSA-N 0 1 244.289 2.015 20 0 BEADMN CC(C)(C)n1cc(CN[C@@]23C[C@@H]2CCC3)nn1 ZINC000657551367 411547726 /nfs/dbraw/zinc/54/77/26/411547726.db2.gz HJBPPMVUIMYKOT-GWCFXTLKSA-N 0 1 234.347 2.065 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](C3CC3)C2)[nH]1 ZINC000660155556 411547895 /nfs/dbraw/zinc/54/78/95/411547895.db2.gz POTHIGLUYPVQOJ-MWLCHTKSSA-N 0 1 234.347 2.160 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCCCCF ZINC000339789300 170186396 /nfs/dbraw/zinc/18/63/96/170186396.db2.gz XGLJCBFESZMWEV-UHFFFAOYSA-N 0 1 233.327 2.400 20 0 BEADMN Cn1cnnc1[C@@H]1CCCN1CCC1CCC1 ZINC000660161072 411549769 /nfs/dbraw/zinc/54/97/69/411549769.db2.gz FTIDXTFSBWVVJN-LBPRGKRZSA-N 0 1 234.347 2.142 20 0 BEADMN Cc1csc(CN[C@@H]2COC3(CCC3)C2)n1 ZINC000657630952 411567001 /nfs/dbraw/zinc/56/70/01/411567001.db2.gz SHPDKPYPGODHFG-JTQLQIEISA-N 0 1 238.356 2.253 20 0 BEADMN CCOC(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000342164789 170219214 /nfs/dbraw/zinc/21/92/14/170219214.db2.gz KVINZDYJCTZHLF-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN CCOC(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000193976074 170220475 /nfs/dbraw/zinc/22/04/75/170220475.db2.gz PRMDOSWPEJIITI-VXGBXAGGSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115739540 170222383 /nfs/dbraw/zinc/22/23/83/170222383.db2.gz PFKJGCMMCQRCIH-GXTWGEPZSA-N 0 1 247.338 2.428 20 0 BEADMN OC/C=C\CNCc1cccc(Cl)c1F ZINC000657591863 411556448 /nfs/dbraw/zinc/55/64/48/411556448.db2.gz BTMOFWZYOVWDGK-UPHRSURJSA-N 0 1 229.682 2.117 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCCC(C)(C)C1 ZINC000082761137 170249996 /nfs/dbraw/zinc/24/99/96/170249996.db2.gz JAIRYGKXBSOAJO-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CC1CCC1 ZINC000082761099 170250420 /nfs/dbraw/zinc/25/04/20/170250420.db2.gz QNUFHRIYMFMOQY-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN OC/C=C/CNCc1cc(Cl)ccc1F ZINC000657595246 411560516 /nfs/dbraw/zinc/56/05/16/411560516.db2.gz ZECNGYJOQFGKMP-OWOJBTEDSA-N 0 1 229.682 2.117 20 0 BEADMN C[C@H](NC/C=C/CO)c1ccccc1F ZINC000657595164 411560703 /nfs/dbraw/zinc/56/07/03/411560703.db2.gz YBQHBZPSQPRACB-YEZKRMTDSA-N 0 1 209.264 2.025 20 0 BEADMN Cc1ccc(CNC/C=C/CO)c(Cl)c1 ZINC000657595047 411560907 /nfs/dbraw/zinc/56/09/07/411560907.db2.gz WHCDDNRHJYELLJ-NSCUHMNNSA-N 0 1 225.719 2.287 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(C)(C)CC1 ZINC000082761100 170271581 /nfs/dbraw/zinc/27/15/81/170271581.db2.gz RVFKMTHCDVGIOJ-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)c1cc(CN(C)C2CC2)[nH]c1C ZINC000294620251 170291640 /nfs/dbraw/zinc/29/16/40/170291640.db2.gz XZSWWPCOSLVBIU-UHFFFAOYSA-N 0 1 236.315 2.094 20 0 BEADMN CCc1ccc(CNCCO[C@@H]2CC2(F)F)o1 ZINC000657618841 411565128 /nfs/dbraw/zinc/56/51/28/411565128.db2.gz IQJMCJUIZQIMGI-LLVKDONJSA-N 0 1 245.269 2.356 20 0 BEADMN CO[C@H](C)CNCc1ncccc1C(F)(F)F ZINC000657624300 411565647 /nfs/dbraw/zinc/56/56/47/411565647.db2.gz HEBMINAWNSITPS-MRVPVSSYSA-N 0 1 248.248 2.225 20 0 BEADMN CC(C)n1ccnc1CNCCc1ccoc1 ZINC000657652707 411570431 /nfs/dbraw/zinc/57/04/31/411570431.db2.gz CCNAVEDQNBTSGD-UHFFFAOYSA-N 0 1 233.315 2.389 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CCC=C(C)C ZINC000660335668 411571437 /nfs/dbraw/zinc/57/14/37/411571437.db2.gz ILBCLUJNKATDTD-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CCOC(=O)c1coc(CN2C[C@@H]3CCC[C@@H]32)c1 ZINC000353651751 170304824 /nfs/dbraw/zinc/30/48/24/170304824.db2.gz CJIXQMSAMKJPNA-GWCFXTLKSA-N 0 1 249.310 2.441 20 0 BEADMN CCOC(=O)c1nc2cccc(C)c2[nH]1 ZINC000071009283 170307839 /nfs/dbraw/zinc/30/78/39/170307839.db2.gz FBYJJQBVBLBFFP-UHFFFAOYSA-N 0 1 204.229 2.048 20 0 BEADMN CCOC1(C)CCN(Cc2cc(C)ncn2)CC1 ZINC000298259752 170318141 /nfs/dbraw/zinc/31/81/41/170318141.db2.gz MDJCYNIQIGURSQ-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCC[C@@H](CNCc2cscn2)O1 ZINC000657667377 411573128 /nfs/dbraw/zinc/57/31/28/411573128.db2.gz VNZNOFPSWSVHKU-KOLCDFICSA-N 0 1 226.345 2.190 20 0 BEADMN CCOC1(C)CCN([C@H](C)c2cnccn2)CC1 ZINC000298412381 170319393 /nfs/dbraw/zinc/31/93/93/170319393.db2.gz XFMOTJZJZMCEFR-GFCCVEGCSA-N 0 1 249.358 2.429 20 0 BEADMN CCOC1CC(N(C)Cc2ccc(F)cn2)C1 ZINC000287077277 170327605 /nfs/dbraw/zinc/32/76/05/170327605.db2.gz WDMKWVCGHIASSJ-UHFFFAOYSA-N 0 1 238.306 2.220 20 0 BEADMN Clc1ccc(CN[C@H]2CCCOC2)o1 ZINC000071011966 411575265 /nfs/dbraw/zinc/57/52/65/411575265.db2.gz HNOPKEJMSLKPAH-QMMMGPOBSA-N 0 1 215.680 2.202 20 0 BEADMN CCOCC(C)(C)CNCc1cscn1 ZINC000288432193 170351047 /nfs/dbraw/zinc/35/10/47/170351047.db2.gz BRNHAAJFWUINOR-UHFFFAOYSA-N 0 1 228.361 2.295 20 0 BEADMN CCOCC(C)(C)NCc1csc(C)n1 ZINC000293411163 170354933 /nfs/dbraw/zinc/35/49/33/170354933.db2.gz ZBHRQKHPUAWBAO-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN Cc1nc(CNCCc2ccoc2)cs1 ZINC000657652130 411569822 /nfs/dbraw/zinc/56/98/22/411569822.db2.gz CFJXYUILXWOENY-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN CCOCCN(C)[C@H](C)c1cccnc1 ZINC000119794894 170392049 /nfs/dbraw/zinc/39/20/49/170392049.db2.gz RWJRDBZWAMLSCA-LLVKDONJSA-N 0 1 208.305 2.111 20 0 BEADMN CCOCCN(CC)CCC(F)(F)F ZINC000336669506 170394804 /nfs/dbraw/zinc/39/48/04/170394804.db2.gz FFAGCXHZWXDNCF-UHFFFAOYSA-N 0 1 213.243 2.297 20 0 BEADMN COC1([C@@H](C)NCc2nc(C)oc2C)CCC1 ZINC000660804203 411639749 /nfs/dbraw/zinc/63/97/49/411639749.db2.gz DEIOPKGOVHGDRK-SNVBAGLBSA-N 0 1 238.331 2.339 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC[C@H](C)O2)cs1 ZINC000657665042 411577082 /nfs/dbraw/zinc/57/70/82/411577082.db2.gz NNEVNZOTGUEQCE-CABZTGNLSA-N 0 1 240.372 2.499 20 0 BEADMN COc1cc(CN2CCSCC[C@H]2C)on1 ZINC000660404053 411580202 /nfs/dbraw/zinc/58/02/02/411580202.db2.gz WSLVLYUGSHWLGI-SECBINFHSA-N 0 1 242.344 2.011 20 0 BEADMN CCOC[C@@H](NCc1cc(C)on1)C(C)C ZINC000286066081 170434535 /nfs/dbraw/zinc/43/45/35/170434535.db2.gz JHGLALVHANVVAU-GFCCVEGCSA-N 0 1 226.320 2.134 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1cc(C2CC2)no1 ZINC000660414013 411581461 /nfs/dbraw/zinc/58/14/61/411581461.db2.gz NWKVXLZSYIMSMR-NOZJJQNGSA-N 0 1 236.315 2.209 20 0 BEADMN CCC[C@]1(CO)CCCN1Cc1coc(C)n1 ZINC000660422547 411582830 /nfs/dbraw/zinc/58/28/30/411582830.db2.gz FLMFFYLIVVZTCF-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN O[C@@H]1C[C@@H](NCc2ccc(Cl)o2)C12CCC2 ZINC000657703033 411583330 /nfs/dbraw/zinc/58/33/30/411583330.db2.gz KOOWLHUWPRNRRK-NXEZZACHSA-N 0 1 241.718 2.326 20 0 BEADMN CCN(CC(=O)Nc1cccc(C)c1)C1CC1 ZINC000130203145 411586456 /nfs/dbraw/zinc/58/64/56/411586456.db2.gz DGVYLPXWFIRWKS-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN Cn1ncc(C2CCC2)c1CNCC1(F)CC1 ZINC000657718761 411587100 /nfs/dbraw/zinc/58/71/00/411587100.db2.gz CRLOZFTXLLHPHV-UHFFFAOYSA-N 0 1 237.322 2.279 20 0 BEADMN CCc1nc([C@@H](C)N2CCC(C)=C(C)C2)n[nH]1 ZINC000660454642 411587574 /nfs/dbraw/zinc/58/75/74/411587574.db2.gz AEFJWSIESIWBSS-LLVKDONJSA-N 0 1 234.347 2.470 20 0 BEADMN c1c(CNCC2=CCCC2)nnn1C1CCC1 ZINC000657749786 411591916 /nfs/dbraw/zinc/59/19/16/411591916.db2.gz MWWUEVBNPOWBTG-UHFFFAOYSA-N 0 1 232.331 2.203 20 0 BEADMN CC(=O)c1ccnc(NCCN2CCCCC2)c1 ZINC000663390125 411645842 /nfs/dbraw/zinc/64/58/42/411645842.db2.gz COIORMPQWWENMD-UHFFFAOYSA-N 0 1 247.342 2.182 20 0 BEADMN CO[C@@H](CNCc1cscn1)C1CCCC1 ZINC000657767770 411593512 /nfs/dbraw/zinc/59/35/12/411593512.db2.gz RGVDSNAVOXFIAO-LBPRGKRZSA-N 0 1 240.372 2.438 20 0 BEADMN CC(C)(C)C(F)(F)CNCC1(C)COC1 ZINC000657793263 411599192 /nfs/dbraw/zinc/59/91/92/411599192.db2.gz JECMWAJAIPFJRT-UHFFFAOYSA-N 0 1 221.291 2.294 20 0 BEADMN O[C@H]1C[C@H](NCc2ccsc2Cl)C1 ZINC000657810115 411602236 /nfs/dbraw/zinc/60/22/36/411602236.db2.gz XPYZOFLVMMRDFS-ZKCHVHJHSA-N 0 1 217.721 2.014 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@H](O)C2)o1 ZINC000657809859 411602509 /nfs/dbraw/zinc/60/25/09/411602509.db2.gz PSILAZRLLIHIMV-BFLSOPEQSA-N 0 1 221.300 2.016 20 0 BEADMN CC(C)=CCCN1CCn2cncc2C1 ZINC000660583880 411604005 /nfs/dbraw/zinc/60/40/05/411604005.db2.gz NOJQGPPVUKTSHK-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN Cn1cnc(CN2CCC(C3CC3)CC2)c1 ZINC000660611086 411606972 /nfs/dbraw/zinc/60/69/72/411606972.db2.gz OQPPFQUAXGIJJT-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN COc1cc(CN2CCC(C3CC3)CC2)on1 ZINC000660612231 411607488 /nfs/dbraw/zinc/60/74/88/411607488.db2.gz YRYCGASONIZIDJ-UHFFFAOYSA-N 0 1 236.315 2.305 20 0 BEADMN c1cc(CN2CCC[C@@H](c3ccccn3)C2)n[nH]1 ZINC000660627638 411609531 /nfs/dbraw/zinc/60/95/31/411609531.db2.gz VONUILWHHGFAKD-GFCCVEGCSA-N 0 1 242.326 2.184 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCn3nccc32)cn1 ZINC000657840731 411609802 /nfs/dbraw/zinc/60/98/02/411609802.db2.gz WDFQTABULVZDFO-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCOC[C@@H]1C ZINC000660647610 411612893 /nfs/dbraw/zinc/61/28/93/411612893.db2.gz GIGFFUJRBNNZDX-UWVGGRQHSA-N 0 1 221.291 2.389 20 0 BEADMN Cc1nc(CNC2(CCO)CCCC2)oc1C ZINC000660677766 411616786 /nfs/dbraw/zinc/61/67/86/411616786.db2.gz DLPFYYYOPLLFSL-UHFFFAOYSA-N 0 1 238.331 2.076 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660721954 411619116 /nfs/dbraw/zinc/61/91/16/411619116.db2.gz BOKUVDQTCZCOLD-DGCLKSJQSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCCCF)n1 ZINC000660749128 411620751 /nfs/dbraw/zinc/62/07/51/411620751.db2.gz FTNOQKJMAWOGFV-UHFFFAOYSA-N 0 1 241.310 2.065 20 0 BEADMN CCc1nocc1CN1CCCC[C@@H]1COC ZINC000660756053 411620995 /nfs/dbraw/zinc/62/09/95/411620995.db2.gz WZPYYXQBQKNJSS-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660756066 411621040 /nfs/dbraw/zinc/62/10/40/411621040.db2.gz QNYLZVMUBYQGQS-CHWSQXEVSA-N 0 1 238.331 2.420 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@H](C(=O)[O-])c1ccccc1 ZINC000663315706 411622677 /nfs/dbraw/zinc/62/26/77/411622677.db2.gz MXYWTTMDCCMKMI-KHJSKFAYSA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000663316570 411622856 /nfs/dbraw/zinc/62/28/56/411622856.db2.gz FXOOTLQSZSJFDJ-ZSBIGDGJSA-N 0 1 237.343 2.362 20 0 BEADMN CN(CCOCC1CCCC1)Cc1cnc[nH]1 ZINC000661093205 411705184 /nfs/dbraw/zinc/70/51/84/411705184.db2.gz NTXKSIXNUMOVCD-UHFFFAOYSA-N 0 1 237.347 2.048 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)Nc1cc(C)no1 ZINC000661108458 411712520 /nfs/dbraw/zinc/71/25/20/411712520.db2.gz ZJVXVABONJAVOC-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)Nc1cc(C)no1 ZINC000661108456 411713183 /nfs/dbraw/zinc/71/31/83/411713183.db2.gz ZJVXVABONJAVOC-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN Cc1cccc([C@@H](C)[N@@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660849678 411657578 /nfs/dbraw/zinc/65/75/78/411657578.db2.gz PREFIJTUSMMFKZ-SNVBAGLBSA-N 0 1 247.298 2.277 20 0 BEADMN Cc1nnc([C@H](C)N2CCC3(CC3)CC2)[nH]1 ZINC000663437450 411657859 /nfs/dbraw/zinc/65/78/59/411657859.db2.gz AFOREZGSYRTEDK-VIFPVBQESA-N 0 1 220.320 2.050 20 0 BEADMN Cc1noc([C@H](C)N(C)CC2CC=CC2)n1 ZINC000660926940 411676356 /nfs/dbraw/zinc/67/63/56/411676356.db2.gz UMRQLWYYMAUQPM-VIFPVBQESA-N 0 1 221.304 2.337 20 0 BEADMN Cc1noc([C@@H](C)N(C)C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660926703 411677702 /nfs/dbraw/zinc/67/77/02/411677702.db2.gz QWNRTRYGSQIPTR-KXGXSXBTSA-N 0 1 235.331 2.417 20 0 BEADMN CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927985 411678726 /nfs/dbraw/zinc/67/87/26/411678726.db2.gz IFGAMTNWIGUKLJ-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN CC(=O)c1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000661089703 411702838 /nfs/dbraw/zinc/70/28/38/411702838.db2.gz FSVDHQKGFCCRFN-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN CCCNC(=O)CN1CCC(C2CCC2)CC1 ZINC000661375374 411758316 /nfs/dbraw/zinc/75/83/16/411758316.db2.gz YDZTYJFQVYFRDG-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCOCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661468925 411782262 /nfs/dbraw/zinc/78/22/62/411782262.db2.gz YRYNFMIBKJPJEP-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCc1ccccn1 ZINC000661471420 411784493 /nfs/dbraw/zinc/78/44/93/411784493.db2.gz DZERADXYYLDUSD-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H]1CCCN(Cc2nccs2)[C@H]1CCO ZINC000661497122 411790091 /nfs/dbraw/zinc/79/00/91/411790091.db2.gz HZXNVCLHVQISHC-QWRGUYRKSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1nc(CN2CCC(c3ccco3)CC2)n[nH]1 ZINC000661161545 411723552 /nfs/dbraw/zinc/72/35/52/411723552.db2.gz UDLOLODLNLSHNW-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN c1coc(C2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000661161718 411723970 /nfs/dbraw/zinc/72/39/70/411723970.db2.gz WOHGVTZVYDAVBT-UHFFFAOYSA-N 0 1 231.299 2.382 20 0 BEADMN Fc1ccc([C@H]2CCN2CCn2cccn2)cc1 ZINC000661506609 411791506 /nfs/dbraw/zinc/79/15/06/411791506.db2.gz GFNKPPLLSJFFIJ-CQSZACIVSA-N 0 1 245.301 2.469 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1ccc2cncn2c1 ZINC000283275568 170697602 /nfs/dbraw/zinc/69/76/02/170697602.db2.gz BDQCQTVDQZYYSU-LLVKDONJSA-N 0 1 245.326 2.452 20 0 BEADMN C[C@@H]1CCCC[C@H]1COCCc1c[nH]nn1 ZINC000664046929 411827092 /nfs/dbraw/zinc/82/70/92/411827092.db2.gz SYSQPGPIEUAJNE-MNOVXSKESA-N 0 1 223.320 2.190 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](CCF)C2)ncn1 ZINC000661690244 411838954 /nfs/dbraw/zinc/83/89/54/411838954.db2.gz OUUJCEHZHAAHDV-LBPRGKRZSA-N 0 1 237.322 2.357 20 0 BEADMN CCn1ccnc1CN1CCC[C@@H](CCF)C1 ZINC000661688547 411839156 /nfs/dbraw/zinc/83/91/56/411839156.db2.gz DEFDTRTWPXWRGN-LBPRGKRZSA-N 0 1 239.338 2.475 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN(C)Cc1cn(C)nn1 ZINC000661743114 411863043 /nfs/dbraw/zinc/86/30/43/411863043.db2.gz DDFISIRPUKQWSB-VXGBXAGGSA-N 0 1 236.363 2.073 20 0 BEADMN CCN(CC(=O)N1[C@@H](C)CCC1(C)C)C1CC1 ZINC000662020850 411942362 /nfs/dbraw/zinc/94/23/62/411942362.db2.gz FRBAFYFTXBRJPD-NSHDSACASA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2cncs2)C[C@H](C)O1 ZINC000661851428 411903427 /nfs/dbraw/zinc/90/34/27/411903427.db2.gz UUHMVZDVRKMSOL-MNOVXSKESA-N 0 1 240.372 2.185 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661852700 411903438 /nfs/dbraw/zinc/90/34/38/411903438.db2.gz DHPRPOLEPAUWSC-OLZOCXBDSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(C)[nH]2)C1 ZINC000661859885 411907849 /nfs/dbraw/zinc/90/78/49/411907849.db2.gz JPRQPCMCYMQVAA-MWLCHTKSSA-N 0 1 222.336 2.124 20 0 BEADMN c1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)n[nH]1 ZINC000661875575 411912961 /nfs/dbraw/zinc/91/29/61/411912961.db2.gz PADAHMUDPPROQU-OCCSQVGLSA-N 0 1 249.358 2.191 20 0 BEADMN Cn1c2ccccc2nc1CN1CC[C@H]2C[C@H]2C1 ZINC000661968828 411925734 /nfs/dbraw/zinc/92/57/34/411925734.db2.gz HTSUJAFNDOHNOG-RYUDHWBXSA-N 0 1 241.338 2.415 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661975581 411930104 /nfs/dbraw/zinc/93/01/04/411930104.db2.gz YCLNAZWRLZASOQ-VXGBXAGGSA-N 0 1 219.332 2.306 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000664175728 411881551 /nfs/dbraw/zinc/88/15/51/411881551.db2.gz BONCDOOJRJLFGN-SNVBAGLBSA-N 0 1 238.335 2.048 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000661774466 411884082 /nfs/dbraw/zinc/88/40/82/411884082.db2.gz YGNMZTUGCDIFFV-BXKDBHETSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000661774466 411884085 /nfs/dbraw/zinc/88/40/85/411884085.db2.gz YGNMZTUGCDIFFV-BXKDBHETSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)CC1(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000662068313 411970020 /nfs/dbraw/zinc/97/00/20/411970020.db2.gz KOWSWKZTQACFCL-CYBMUJFWSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1nc([C@H](C)N2CCC(C3CC3)CC2)n[nH]1 ZINC000664567109 411988399 /nfs/dbraw/zinc/98/83/99/411988399.db2.gz KSXIJXVDBOOSHX-VIFPVBQESA-N 0 1 234.347 2.296 20 0 BEADMN c1cnc2c(n1)CC[N@H+](CCC1CCC1)C2 ZINC000662119040 411990075 /nfs/dbraw/zinc/99/00/75/411990075.db2.gz OWDQNDZAECRFCM-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN c1cnc2c(n1)CCN(CCC1CCC1)C2 ZINC000662119040 411990078 /nfs/dbraw/zinc/99/00/78/411990078.db2.gz OWDQNDZAECRFCM-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN c1ccc(CCN2CCc3nccnc3C2)cc1 ZINC000662122744 411993602 /nfs/dbraw/zinc/99/36/02/411993602.db2.gz LDVRBAHGQPKYKR-UHFFFAOYSA-N 0 1 239.322 2.077 20 0 BEADMN Cc1cc(N[C@H]2C[C@H](O)C2)c2cc(F)ccc2n1 ZINC000664643202 412003248 /nfs/dbraw/zinc/00/32/48/412003248.db2.gz TTWYGRNEGBPYTG-XYPYZODXSA-N 0 1 246.285 2.039 20 0 BEADMN C[C@@H](c1nncn1C)N1CCC[C@@H](C2CCC2)C1 ZINC000662043902 411959502 /nfs/dbraw/zinc/95/95/02/411959502.db2.gz NYMMQBHDBWXIKS-WCQYABFASA-N 0 1 248.374 2.388 20 0 BEADMN C[C@@H](c1nncn1C)N1CCC[C@H](C2CCC2)C1 ZINC000662043900 411960464 /nfs/dbraw/zinc/96/04/64/411960464.db2.gz NYMMQBHDBWXIKS-AAEUAGOBSA-N 0 1 248.374 2.388 20 0 BEADMN c1cnc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000662044638 411962857 /nfs/dbraw/zinc/96/28/57/411962857.db2.gz RIISNNVFENQGPK-CYBMUJFWSA-N 0 1 231.343 2.489 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662201480 412023957 /nfs/dbraw/zinc/02/39/57/412023957.db2.gz SUNUMXQUCVSHLJ-LBPRGKRZSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664819998 412026263 /nfs/dbraw/zinc/02/62/63/412026263.db2.gz NNPZSCCNEYDWMF-AAEUAGOBSA-N 0 1 234.343 2.235 20 0 BEADMN CO[C@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822988 412026378 /nfs/dbraw/zinc/02/63/78/412026378.db2.gz LCLABFYNRJBLPL-YPMHNXCESA-N 0 1 234.343 2.499 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1C(=O)[O-] ZINC000662211971 412026451 /nfs/dbraw/zinc/02/64/51/412026451.db2.gz LDGRHJWZRGSOBK-CMPLNLGQSA-N 0 1 223.316 2.138 20 0 BEADMN CC[N@@H+](Cc1cc(F)ccc1C)[C@@H](C)C(=O)[O-] ZINC000662214601 412026796 /nfs/dbraw/zinc/02/67/96/412026796.db2.gz GGAMOMBQPNJEEJ-JTQLQIEISA-N 0 1 239.290 2.429 20 0 BEADMN C[C@@H](CO)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821017 412026942 /nfs/dbraw/zinc/02/69/42/412026942.db2.gz BYAXQNONVBQBDJ-YPMHNXCESA-N 0 1 234.343 2.093 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000662213204 412027999 /nfs/dbraw/zinc/02/79/99/412027999.db2.gz UFWMKTGHYXWEAX-NWDGAFQWSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000662218334 412028952 /nfs/dbraw/zinc/02/89/52/412028952.db2.gz ZLWDHTUFACYJAG-IUCAKERBSA-N 0 1 237.290 2.463 20 0 BEADMN COC[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664832735 412029056 /nfs/dbraw/zinc/02/90/56/412029056.db2.gz HWKHQCMQGCSTFY-AAEUAGOBSA-N 0 1 234.343 2.499 20 0 BEADMN CC(C)=CCC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000662215811 412030126 /nfs/dbraw/zinc/03/01/26/412030126.db2.gz PAILQVZNKWBFBT-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662229943 412031639 /nfs/dbraw/zinc/03/16/39/412031639.db2.gz ODQFAJODFRZFKF-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cccc(CN(C)CC2=CCSC2)n1 ZINC000662267629 412059849 /nfs/dbraw/zinc/05/98/49/412059849.db2.gz WSABTUQXDHDISF-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccno1 ZINC000664945769 412047981 /nfs/dbraw/zinc/04/79/81/412047981.db2.gz NNVQYFNMJWPSOS-KGLIPLIRSA-N 0 1 244.294 2.077 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000159606507 171007437 /nfs/dbraw/zinc/00/74/37/171007437.db2.gz GYMLOCFROUBQTC-DOMZBBRYSA-N 0 1 246.354 2.119 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2ncccn2)C1 ZINC000336291072 171050304 /nfs/dbraw/zinc/05/03/04/171050304.db2.gz SDIYOXCKGVKTDC-NWDGAFQWSA-N 0 1 219.332 2.487 20 0 BEADMN CC[C@@H]1CN(CCC2CC2)C[C@@H](C)[S@]1=O ZINC000352872811 171078624 /nfs/dbraw/zinc/07/86/24/171078624.db2.gz WXHNCHNZCYUPOM-IXPVHAAZSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)CCC(C)C)C[C@@H](C)O1 ZINC000361244418 171086161 /nfs/dbraw/zinc/08/61/61/171086161.db2.gz LVBFCDWOERCZHX-MGPQQGTHSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1O ZINC000270868308 171087446 /nfs/dbraw/zinc/08/74/46/171087446.db2.gz IVHMKPAOSHAXRJ-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000270846045 171088111 /nfs/dbraw/zinc/08/81/11/171088111.db2.gz FZEFQFIXBRDJBF-MFKMUULPSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2cn(C)nc2C)CCS1 ZINC000093501944 171092025 /nfs/dbraw/zinc/09/20/25/171092025.db2.gz HJDDDBKYSZTHCT-GFCCVEGCSA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@@H]1CN(Cc2cncs2)CCS1 ZINC000093502062 171092953 /nfs/dbraw/zinc/09/29/53/171092953.db2.gz FJRFOSLNZUZLAF-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(CO)cc1 ZINC000163415378 171109906 /nfs/dbraw/zinc/10/99/06/171109906.db2.gz CWJZQIONJRTZAB-SWLSCSKDSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1cccnc1 ZINC000265128964 171110353 /nfs/dbraw/zinc/11/03/53/171110353.db2.gz MMGCCAKPBFQLMX-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@H]1CCC(C)(C)O1 ZINC000359838709 171110624 /nfs/dbraw/zinc/11/06/24/171110624.db2.gz FHAFLDQHHGWVCX-YNEHKIRRSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccncc1C ZINC000294628045 171111295 /nfs/dbraw/zinc/11/12/95/171111295.db2.gz ZXWKNRJJXFKDFZ-GXTWGEPZSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000282888280 171140517 /nfs/dbraw/zinc/14/05/17/171140517.db2.gz VXBHDWQSJKVVCR-BXKDBHETSA-N 0 1 243.310 2.400 20 0 BEADMN CC[C@@](C)(NCc1cc2ccccc2o1)C(N)=O ZINC000301636571 171175912 /nfs/dbraw/zinc/17/59/12/171175912.db2.gz GRCSONJRAOWVJP-CQSZACIVSA-N 0 1 246.310 2.176 20 0 BEADMN CC[C@@](C)(O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293438716 171184132 /nfs/dbraw/zinc/18/41/32/171184132.db2.gz BSOPKTLFYXGLDR-GFCCVEGCSA-N 0 1 243.734 2.296 20 0 BEADMN CC[C@@]1(C)CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000093458992 171199334 /nfs/dbraw/zinc/19/93/34/171199334.db2.gz LSHIFLNQYRKLME-LBPRGKRZSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@@]1(C)CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000093458992 171199335 /nfs/dbraw/zinc/19/93/35/171199335.db2.gz LSHIFLNQYRKLME-LBPRGKRZSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@H](C(=O)Nc1cc(C2CC2)ccn1)N(C)C ZINC000292272001 171234331 /nfs/dbraw/zinc/23/43/31/171234331.db2.gz QGRDCLCVKZMAEH-GFCCVEGCSA-N 0 1 247.342 2.238 20 0 BEADMN CC[C@H](C(=O)Nc1ccccc1C)N(C)C ZINC000268718779 171234656 /nfs/dbraw/zinc/23/46/56/171234656.db2.gz HDXYEBMQMQXECG-GFCCVEGCSA-N 0 1 220.316 2.274 20 0 BEADMN CC[C@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000103255612 171234662 /nfs/dbraw/zinc/23/46/62/171234662.db2.gz SNZKPCHZYMWNRW-NSHDSACASA-N 0 1 244.298 2.245 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000050885412 171236678 /nfs/dbraw/zinc/23/66/78/171236678.db2.gz FEUYLXXOOZTHKN-LLVKDONJSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C)(CC)CC1 ZINC000338259030 171241172 /nfs/dbraw/zinc/24/11/72/171241172.db2.gz UNFBCLMSLVGWLE-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C)CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000359925767 171259296 /nfs/dbraw/zinc/25/92/96/171259296.db2.gz OMHKMTDVQWLZNT-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000359884006 171261446 /nfs/dbraw/zinc/26/14/46/171261446.db2.gz YLLAZFZCHAHDPH-RYUDHWBXSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000276845779 171261895 /nfs/dbraw/zinc/26/18/95/171261895.db2.gz WZZKDGCYCHXMQC-ONGXEEELSA-N 0 1 235.331 2.340 20 0 BEADMN CC[C@H](C)CN(C)Cc1cc(COC)on1 ZINC000297638170 171275073 /nfs/dbraw/zinc/27/50/73/171275073.db2.gz IFEFVLOVJSGZKS-JTQLQIEISA-N 0 1 226.320 2.299 20 0 BEADMN CC[C@H](C)CN(CC)c1ncnc2[nH]cnc21 ZINC000357512947 171279798 /nfs/dbraw/zinc/27/97/98/171279798.db2.gz MUCYDBRXPNWUSS-VIFPVBQESA-N 0 1 233.319 2.225 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000037654587 171312223 /nfs/dbraw/zinc/31/22/23/171312223.db2.gz LCLWEHHFKGTMPB-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C)N1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352894146 171320525 /nfs/dbraw/zinc/32/05/25/171320525.db2.gz RHGNMOMTQSZRBI-AYGWYOGXSA-N 0 1 217.378 2.016 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccsc1 ZINC000058123039 171334821 /nfs/dbraw/zinc/33/48/21/171334821.db2.gz MBTFLTVBUFSXMS-UWVGGRQHSA-N 0 1 240.372 2.141 20 0 BEADMN CC[C@H](C)NCc1csc(COC)n1 ZINC000082686613 171344379 /nfs/dbraw/zinc/34/43/79/171344379.db2.gz DMTJZXALBWHHQK-QMMMGPOBSA-N 0 1 214.334 2.178 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000336588928 171359055 /nfs/dbraw/zinc/35/90/55/171359055.db2.gz STHLYCSUFDMCMN-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000226560881 171363157 /nfs/dbraw/zinc/36/31/57/171363157.db2.gz JIEDBGIMIZSLEG-ZOWXZIJZSA-N 0 1 248.370 2.411 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nnc(C)o1 ZINC000183037577 171366282 /nfs/dbraw/zinc/36/62/82/171366282.db2.gz SVDDKJPPAVFELF-YIZRAAEISA-N 0 1 211.309 2.463 20 0 BEADMN CC12CC(C1)CN2Cc1cncc(F)c1 ZINC000662385216 412138284 /nfs/dbraw/zinc/13/82/84/412138284.db2.gz NZWLNZVLNKMCKB-UHFFFAOYSA-N 0 1 206.264 2.205 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1cc(C)on1 ZINC000330497281 171382943 /nfs/dbraw/zinc/38/29/43/171382943.db2.gz XJSUWJXXBBSPLC-NDMJEZRESA-N 0 1 240.347 2.431 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356791077 171383347 /nfs/dbraw/zinc/38/33/47/171383347.db2.gz UPMMTSPDAJYJGI-RVMXOQNASA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358745517 171384280 /nfs/dbraw/zinc/38/42/80/171384280.db2.gz XVPFTZVIKQAOQD-LOWDOPEQSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177316895 171387318 /nfs/dbraw/zinc/38/73/18/171387318.db2.gz UGVRGIRAZKJKQK-GARJFASQSA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@H](CN[C@@H](C)c1nccn1C)OC ZINC000362975918 171393208 /nfs/dbraw/zinc/39/32/08/171393208.db2.gz HPRZLDVGETXSEG-SRVKXCTJSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CC2(C)C)no1 ZINC000662344248 412113283 /nfs/dbraw/zinc/11/32/83/412113283.db2.gz OYWKUKFGLCNVFZ-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2ccsc2)n[nH]1 ZINC000662344056 412113986 /nfs/dbraw/zinc/11/39/86/412113986.db2.gz DFNLCPORRPMXDI-MRVPVSSYSA-N 0 1 236.344 2.368 20 0 BEADMN CCCN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662365351 412126023 /nfs/dbraw/zinc/12/60/23/412126023.db2.gz RZELTIBSJXBLCS-SCZZXKLOSA-N 0 1 207.264 2.141 20 0 BEADMN CC[C@H](COC)Nc1ccnc(C)c1Cl ZINC000336720246 171454772 /nfs/dbraw/zinc/45/47/72/171454772.db2.gz ZQWJORUWEOPPRW-SECBINFHSA-N 0 1 228.723 2.302 20 0 BEADMN C[C@@]1(C(F)F)CN(C2CCCC2)CCO1 ZINC000662372001 412130133 /nfs/dbraw/zinc/13/01/33/412130133.db2.gz OETCTPKKXOYLQU-NSHDSACASA-N 0 1 219.275 2.285 20 0 BEADMN OCC1(NCC(F)F)C2CC3CC(C2)CC1C3 ZINC000665199248 412132650 /nfs/dbraw/zinc/13/26/50/412132650.db2.gz KWLVOMDYJIGEJO-UHFFFAOYSA-N 0 1 245.313 2.028 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CN)o1 ZINC000662735805 412288879 /nfs/dbraw/zinc/28/88/79/412288879.db2.gz YMJMMCFVVLLKGZ-FGWVZKOKSA-N 0 1 248.326 2.141 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC1=CCCC1 ZINC000662706397 412277811 /nfs/dbraw/zinc/27/78/11/412277811.db2.gz CCTLYCNWXJXGTM-AWEZNQCLSA-N 0 1 244.338 2.221 20 0 BEADMN CC[C@H]1CCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000049815025 171606321 /nfs/dbraw/zinc/60/63/21/171606321.db2.gz IFTZFEWMNHDZTF-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN c1c[nH]c(CN2CC[C@H](C3CCC3)C2)n1 ZINC000665286042 412231294 /nfs/dbraw/zinc/23/12/94/412231294.db2.gz CRULMVNGCKKVER-NSHDSACASA-N 0 1 205.305 2.032 20 0 BEADMN CCc1nnc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000665284471 412232530 /nfs/dbraw/zinc/23/25/30/412232530.db2.gz LVSOBECIDKSZQJ-NSHDSACASA-N 0 1 235.331 2.254 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000665288332 412233362 /nfs/dbraw/zinc/23/33/62/412233362.db2.gz KIUJGGCYQDXKAO-CYBMUJFWSA-N 0 1 246.354 2.330 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C3CCC3)C2)[nH]1 ZINC000665289904 412235167 /nfs/dbraw/zinc/23/51/67/412235167.db2.gz ATAHVSDVCHQUFY-JOYOIKCWSA-N 0 1 234.347 2.296 20 0 BEADMN N[C@@H](C(=O)NC1CC2(CCC2)C1)c1ccccc1 ZINC000662910291 412342244 /nfs/dbraw/zinc/34/22/44/412342244.db2.gz RCSRAPGJGVXATH-CYBMUJFWSA-N 0 1 244.338 2.135 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](C3CC3)C2)n[nH]1 ZINC000290801978 171751399 /nfs/dbraw/zinc/75/13/99/171751399.db2.gz FHSBBPATZYZYSX-LLVKDONJSA-N 0 1 247.342 2.234 20 0 BEADMN CCCn1nccc1CNc1nccn1CC ZINC000663258443 412402362 /nfs/dbraw/zinc/40/23/62/412402362.db2.gz IGOJPVPGRFNPLJ-UHFFFAOYSA-N 0 1 233.319 2.122 20 0 BEADMN CCc1nc(CSC2=N[C@H](C)CS2)n[nH]1 ZINC000131239518 171992137 /nfs/dbraw/zinc/99/21/37/171992137.db2.gz RLKOSYIOSIGJAS-ZCFIWIBFSA-N 0 1 242.373 2.092 20 0 BEADMN CCc1nc([C@@H](C)NC[C@@H](O)CC)cs1 ZINC000184705842 172002770 /nfs/dbraw/zinc/00/27/70/172002770.db2.gz OBCKJMMLJYYWEI-BDAKNGLRSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nc([C@H](C)NCC2(C)COC2)cs1 ZINC000309408103 172005563 /nfs/dbraw/zinc/00/55/63/172005563.db2.gz BFLJHPFWJHGMDO-VIFPVBQESA-N 0 1 240.372 2.393 20 0 BEADMN CCc1nn(C)cc1CNCc1ccoc1C ZINC000320970458 172041809 /nfs/dbraw/zinc/04/18/09/172041809.db2.gz OPGMDJLKYZCXHW-UHFFFAOYSA-N 0 1 233.315 2.174 20 0 BEADMN CCc1nnc(CN2CC[C@H]3CCC[C@H]32)o1 ZINC000336346072 172049475 /nfs/dbraw/zinc/04/94/75/172049475.db2.gz RDGVGNFUPLLWOV-NXEZZACHSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CN2CC[C@@H]3CCC[C@H]32)o1 ZINC000336346074 172050044 /nfs/dbraw/zinc/05/00/44/172050044.db2.gz RDGVGNFUPLLWOV-VHSXEESVSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C2CCC2)o1 ZINC000102950179 172050269 /nfs/dbraw/zinc/05/02/69/172050269.db2.gz RAGOYGSMSOOYIS-NSHDSACASA-N 0 1 235.331 2.397 20 0 BEADMN CCc1nnc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000367309246 172050958 /nfs/dbraw/zinc/05/09/58/172050958.db2.gz USTPFFPPJWGRJM-LLVKDONJSA-N 0 1 235.331 2.254 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@@H]2CC)o1 ZINC000357558115 172051777 /nfs/dbraw/zinc/05/17/77/172051777.db2.gz ZWKTVWCRLUQTDT-ZJUUUORDSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CNCC2(SC)CC2)s1 ZINC000336763979 172052615 /nfs/dbraw/zinc/05/26/15/172052615.db2.gz PMBPCIUHQGQPQB-UHFFFAOYSA-N 0 1 243.401 2.086 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC2(C)C)s1 ZINC000309028973 172053954 /nfs/dbraw/zinc/05/39/54/172053954.db2.gz CLCHMEPTOOTMBH-MRVPVSSYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC[C@H]2CC)o1 ZINC000309994913 172054279 /nfs/dbraw/zinc/05/42/79/172054279.db2.gz BXSOUBNXXJHSIU-NXEZZACHSA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nnc(SCCCCCOC)[nH]1 ZINC000103231347 172062483 /nfs/dbraw/zinc/06/24/83/172062483.db2.gz NPXMUYKVUWISPZ-UHFFFAOYSA-N 0 1 229.349 2.276 20 0 BEADMN CCc1n[nH]c(SCCCCCOC)n1 ZINC000103231347 172062485 /nfs/dbraw/zinc/06/24/85/172062485.db2.gz NPXMUYKVUWISPZ-UHFFFAOYSA-N 0 1 229.349 2.276 20 0 BEADMN CCc1nnc([C@@H](C)N(C)CC2CCC2)o1 ZINC000111298222 172064940 /nfs/dbraw/zinc/06/49/40/172064940.db2.gz YFNODQLVOYHLBE-SECBINFHSA-N 0 1 223.320 2.425 20 0 BEADMN CCc1noc(C)c1CN1CCSC[C@H]1C ZINC000268186169 172076626 /nfs/dbraw/zinc/07/66/26/172076626.db2.gz URSIDAVIIDUVTG-SECBINFHSA-N 0 1 240.372 2.483 20 0 BEADMN CCc1noc(C)c1CN1CCSC[C@@H]1C ZINC000268186172 172077586 /nfs/dbraw/zinc/07/75/86/172077586.db2.gz URSIDAVIIDUVTG-VIFPVBQESA-N 0 1 240.372 2.483 20 0 BEADMN CCc1noc(C)c1CNCc1cc[nH]c1 ZINC000292864200 172078558 /nfs/dbraw/zinc/07/85/58/172078558.db2.gz CQEZSBOTCLAEPR-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN CCc1noc([C@@H](C)N(C)CC2CCC2)n1 ZINC000111296531 172089033 /nfs/dbraw/zinc/08/90/33/172089033.db2.gz UDCJVCOKKHXXQH-SECBINFHSA-N 0 1 223.320 2.425 20 0 BEADMN CCc1nocc1CN1CC(C2CCC2)C1 ZINC000353463884 172094619 /nfs/dbraw/zinc/09/46/19/172094619.db2.gz SBGCQQSFUANTBQ-UHFFFAOYSA-N 0 1 220.316 2.469 20 0 BEADMN CCc1nocc1CN(C)CCc1ccncc1 ZINC000293388354 172095540 /nfs/dbraw/zinc/09/55/40/172095540.db2.gz KJINRPKPNIDYBI-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CCc1nocc1CNCc1cccc(CO)c1 ZINC000339230805 172101393 /nfs/dbraw/zinc/10/13/93/172101393.db2.gz LYSZNEWTQUFGFN-UHFFFAOYSA-N 0 1 246.310 2.019 20 0 BEADMN CCc1nsc(N2CCc3cnccc32)n1 ZINC000181207858 172104795 /nfs/dbraw/zinc/10/47/95/172104795.db2.gz OASUOXWMNNLBHW-UHFFFAOYSA-N 0 1 232.312 2.190 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cccnc2)cn1 ZINC000050539510 172174067 /nfs/dbraw/zinc/17/40/67/172174067.db2.gz IUAIYLLTTJYWCO-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cnccc2C)cn1 ZINC000271260482 172174146 /nfs/dbraw/zinc/17/41/46/172174146.db2.gz AOPVJDNDFWNMIM-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc(CN[C@H](C)c2cccc(O)c2)cn1 ZINC000112098746 172174508 /nfs/dbraw/zinc/17/45/08/172174508.db2.gz XSSZZYGANDMGBO-LLVKDONJSA-N 0 1 245.326 2.459 20 0 BEADMN CCn1cc([C@@H](C)N[C@H](C)c2cnn(C)c2)cn1 ZINC000163901086 172194093 /nfs/dbraw/zinc/19/40/93/172194093.db2.gz BJVXKXHDAOVHQT-GHMZBOCLSA-N 0 1 247.346 2.048 20 0 BEADMN CCn1cc([C@H](C)NCc2ccc(C)nc2)cn1 ZINC000062051670 172197053 /nfs/dbraw/zinc/19/70/53/172197053.db2.gz MUVGMZNQYOUITD-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@H](C)NCc2ccncc2C)cn1 ZINC000228657956 172197979 /nfs/dbraw/zinc/19/79/79/172197979.db2.gz WUJGMQMNINDSDR-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1ccnc1NCC1(OC)CCCC1 ZINC000309471230 172227756 /nfs/dbraw/zinc/22/77/56/172227756.db2.gz AQGQNAFSFURAKZ-UHFFFAOYSA-N 0 1 223.320 2.274 20 0 BEADMN CCn1nccc1CN(C)CCCCCOC ZINC000352365903 172264270 /nfs/dbraw/zinc/26/42/70/172264270.db2.gz YOXKRFOLMOFDAJ-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN CCn1nccc1CN(C)CCC(C)(C)OC ZINC000352368293 172264302 /nfs/dbraw/zinc/26/43/02/172264302.db2.gz GZBSIXFOWDRLPK-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC000042437171 172852307 /nfs/dbraw/zinc/85/23/07/172852307.db2.gz RAGUQQUUUBQAIU-UHFFFAOYSA-N 0 1 225.263 2.121 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000299542074 173049759 /nfs/dbraw/zinc/04/97/59/173049759.db2.gz VTQGFIFBMSBIEG-AWEZNQCLSA-N 0 1 244.338 2.208 20 0 BEADMN CNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000298868054 173268985 /nfs/dbraw/zinc/26/89/85/173268985.db2.gz VVMXYWOSQAVSSN-LBPRGKRZSA-N 0 1 234.343 2.042 20 0 BEADMN CNC(=O)[C@@H]1CCCCN1Cc1ccc(C)cc1 ZINC000104670726 173297785 /nfs/dbraw/zinc/29/77/85/173297785.db2.gz JKGUQXOLCOYIDD-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000171401763 173306092 /nfs/dbraw/zinc/30/60/92/173306092.db2.gz HRASESAHOGLDAZ-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000307537214 173309259 /nfs/dbraw/zinc/30/92/59/173309259.db2.gz OMMNPSJLNQQNAP-UHFFFAOYSA-N 0 1 220.055 2.059 20 0 BEADMN COC1(CN[C@H](C)c2nccn2C)CCCC1 ZINC000336665717 174004474 /nfs/dbraw/zinc/00/44/74/174004474.db2.gz YWHCCZIIKSMIHV-LLVKDONJSA-N 0 1 237.347 2.030 20 0 BEADMN COCC(C)(C)CCCNCc1cocn1 ZINC000290058332 174068460 /nfs/dbraw/zinc/06/84/60/174068460.db2.gz HBRXBFKJKDGJKH-UHFFFAOYSA-N 0 1 226.320 2.217 20 0 BEADMN COCC1=CCN(Cc2c(C)noc2C)CC1 ZINC000187692813 174118019 /nfs/dbraw/zinc/11/80/19/174118019.db2.gz MMMJEDBZGIYTBX-UHFFFAOYSA-N 0 1 236.315 2.070 20 0 BEADMN COCC1CCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000356971926 174120832 /nfs/dbraw/zinc/12/08/32/174120832.db2.gz BQQNSNQFOMUUPP-NSHDSACASA-N 0 1 238.331 2.402 20 0 BEADMN COCCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000360462389 174168955 /nfs/dbraw/zinc/16/89/55/174168955.db2.gz YPKBDGZNIGNRLY-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN COCCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121943206 174230413 /nfs/dbraw/zinc/23/04/13/174230413.db2.gz YZDRXOHLHCSGGJ-OAHLLOKOSA-N 0 1 249.354 2.271 20 0 BEADMN COCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000294187934 174247964 /nfs/dbraw/zinc/24/79/64/174247964.db2.gz QUNNULAORGVJSB-UHFFFAOYSA-N 0 1 229.707 2.172 20 0 BEADMN COCCCN[C@@H](C)c1c(F)cncc1F ZINC000285772815 174248972 /nfs/dbraw/zinc/24/89/72/174248972.db2.gz SGAFLOUPNYZUTQ-QMMMGPOBSA-N 0 1 230.258 2.047 20 0 BEADMN COCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000045206223 174338300 /nfs/dbraw/zinc/33/83/00/174338300.db2.gz XKNNQQFWTFDHLA-SNVBAGLBSA-N 0 1 226.345 2.139 20 0 BEADMN COCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000045205933 174340313 /nfs/dbraw/zinc/34/03/13/174340313.db2.gz PKLKTMCTFWYMMK-SECBINFHSA-N 0 1 240.372 2.319 20 0 BEADMN COCCOCCNCc1ccsc1Cl ZINC000336773610 174358589 /nfs/dbraw/zinc/35/85/89/174358589.db2.gz YUSGZWPXEHXISU-UHFFFAOYSA-N 0 1 249.763 2.154 20 0 BEADMN COCC[C@@H](COC)NCc1ccc(Cl)o1 ZINC000309329127 174390994 /nfs/dbraw/zinc/39/09/94/174390994.db2.gz ISGNPQCJEAJYRH-VIFPVBQESA-N 0 1 247.722 2.074 20 0 BEADMN COCC[C@@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000339582706 174395565 /nfs/dbraw/zinc/39/55/65/174395565.db2.gz CSLHIYAUBLLFEH-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@H](CC(C)C)N[C@H](C)c1ccon1 ZINC000309660776 174562403 /nfs/dbraw/zinc/56/24/03/174562403.db2.gz RGMSLHYZCDIMSQ-MNOVXSKESA-N 0 1 226.320 2.386 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H](C)c1cscn1 ZINC000276156901 174851262 /nfs/dbraw/zinc/85/12/62/174851262.db2.gz QBACFZSHFHMWFA-DJLDLDEBSA-N 0 1 214.334 2.217 20 0 BEADMN COc1cc(C)nc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000336611999 174972368 /nfs/dbraw/zinc/97/23/68/174972368.db2.gz UGNBBVKQRPGMQV-QWRGUYRKSA-N 0 1 220.316 2.381 20 0 BEADMN COc1cc([C@H](C)NC2CC2)c(F)cn1 ZINC000287038895 175015719 /nfs/dbraw/zinc/01/57/19/175015719.db2.gz RZIZPJBGUYBRLV-ZETCQYMHSA-N 0 1 210.252 2.042 20 0 BEADMN COc1cc2c(cc1CN1CCCCC1)OCO2 ZINC000355369096 175021209 /nfs/dbraw/zinc/02/12/09/175021209.db2.gz OUNGYUYPGDHJNY-UHFFFAOYSA-N 0 1 249.310 2.410 20 0 BEADMN COc1ccc(CCNCc2cscn2)cc1 ZINC000040420263 175091451 /nfs/dbraw/zinc/09/14/51/175091451.db2.gz MDHQWOBVQIRSSX-UHFFFAOYSA-N 0 1 248.351 2.484 20 0 BEADMN COc1ccc(CN2CCC(C)(C)CC2)nn1 ZINC000338238728 175098079 /nfs/dbraw/zinc/09/80/79/175098079.db2.gz MKRPQSGHOHBKPJ-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC000003747910 175099631 /nfs/dbraw/zinc/09/96/31/175099631.db2.gz GUGRTERAMBBWTE-LBPRGKRZSA-N 0 1 249.310 2.053 20 0 BEADMN COc1ccc(CNC(C)(C)CF)cc1O ZINC000336707063 175105318 /nfs/dbraw/zinc/10/53/18/175105318.db2.gz QCMBLJVFTXKFEO-UHFFFAOYSA-N 0 1 227.279 2.239 20 0 BEADMN COc1ccc(CNCCF)cc1OC(F)F ZINC000280846497 175106781 /nfs/dbraw/zinc/10/67/81/175106781.db2.gz YZVKENWZHFOYEC-UHFFFAOYSA-N 0 1 249.232 2.356 20 0 BEADMN COc1ccc(CNCc2cccn2C)cc1O ZINC000172628943 175107836 /nfs/dbraw/zinc/10/78/36/175107836.db2.gz LQNUPZQDWPFSEG-UHFFFAOYSA-N 0 1 246.310 2.029 20 0 BEADMN COc1ccc(CNCc2conc2C)cc1 ZINC000294081692 175107973 /nfs/dbraw/zinc/10/79/73/175107973.db2.gz LIBDEHVEMQNLRI-UHFFFAOYSA-N 0 1 232.283 2.281 20 0 BEADMN COc1ccc(CNCc2cccc(O)c2)cn1 ZINC000020186388 175108065 /nfs/dbraw/zinc/10/80/65/175108065.db2.gz LSNRHNIEESIRID-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1ccc(F)cc1CN(C)CC[C@@H](C)O ZINC000135405137 175128613 /nfs/dbraw/zinc/12/86/13/175128613.db2.gz QWOOAJDIIABAGE-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)cc1CN(C)C1CC1 ZINC000298262457 175128891 /nfs/dbraw/zinc/12/88/91/175128891.db2.gz ABMHQCHIVGXLQB-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN COc1ccc(F)cc1[C@H](C)NCc1cnc[nH]1 ZINC000054764775 175133239 /nfs/dbraw/zinc/13/32/39/175133239.db2.gz VUTZANFFKGKAKH-VIFPVBQESA-N 0 1 249.289 2.408 20 0 BEADMN COc1ccc(NC(=O)CN(C)C2CCC2)cc1 ZINC000072721701 175141935 /nfs/dbraw/zinc/14/19/35/175141935.db2.gz VPDVTKXMFUREFU-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901543 175151852 /nfs/dbraw/zinc/15/18/52/175151852.db2.gz WMWUKFPRWCRQCS-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)cc1 ZINC000289896848 175153397 /nfs/dbraw/zinc/15/33/97/175153397.db2.gz NFNYGJKVKFKHPX-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1ccc([C@@H](C)NCc2c[nH]cn2)cc1 ZINC000112344499 175177213 /nfs/dbraw/zinc/17/72/13/175177213.db2.gz CLYSIKVNQZOINU-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccc2c(c1)OCCN(CCCF)C2 ZINC000367253914 175212548 /nfs/dbraw/zinc/21/25/48/175212548.db2.gz VBHXWSFHZGPWBT-UHFFFAOYSA-N 0 1 239.290 2.249 20 0 BEADMN COc1cccc(CN[C@@H](C)c2cnn(C)c2)c1 ZINC000044498919 175267023 /nfs/dbraw/zinc/26/70/23/175267023.db2.gz FVNHZSUVROLXRS-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655775431 487630196 /nfs/dbraw/zinc/63/01/96/487630196.db2.gz XOQVCMRRDRHWJB-JHJVBQTASA-N 0 1 249.358 2.265 20 0 BEADMN COc1ccccc1CCCN1CCO[C@@H]2C[C@@H]21 ZINC000368633165 175322112 /nfs/dbraw/zinc/32/21/12/175322112.db2.gz MXOMDQDKJJGNPD-DZGCQCFKSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccccc1CCCN1CCOC[C@H]1C ZINC000277874281 175322145 /nfs/dbraw/zinc/32/21/45/175322145.db2.gz UZJXDRJLMJUPGR-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccccc1NC(=O)c1ncccc1O ZINC000037760450 175337065 /nfs/dbraw/zinc/33/70/65/175337065.db2.gz HFRGNERODYIQPG-UHFFFAOYSA-N 0 1 244.250 2.048 20 0 BEADMN COc1ccccc1NCc1[nH]ncc1C ZINC000289908101 175337890 /nfs/dbraw/zinc/33/78/90/175337890.db2.gz NVNKOWWKNNAJSJ-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1ccnc(CN2CCC[C@@H]2C)c1OC ZINC000190613459 175358117 /nfs/dbraw/zinc/35/81/17/175358117.db2.gz UJMJGXCSUXFGKP-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN COc1ccnc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000336567586 175359969 /nfs/dbraw/zinc/35/99/69/175359969.db2.gz MVDVTQPKEDDWKP-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN COc1ccnc(NCc2ccco2)c1 ZINC000083344135 175365323 /nfs/dbraw/zinc/36/53/23/175365323.db2.gz HUGRTLJRRQQCQH-UHFFFAOYSA-N 0 1 204.229 2.295 20 0 BEADMN COc1cncc(CN2CCCSCC2)c1 ZINC000336507574 175385434 /nfs/dbraw/zinc/38/54/34/175385434.db2.gz AQFJPJMCOVISNF-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN CS[C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271291118 175537053 /nfs/dbraw/zinc/53/70/53/175537053.db2.gz QIPHXPVCMIPCOT-YFKPBYRVSA-N 0 1 249.286 2.346 20 0 BEADMN C[C@@H](Cn1cccn1)N[C@@H](C)c1nccs1 ZINC000083142986 175781535 /nfs/dbraw/zinc/78/15/35/175781535.db2.gz YOTZFVHRBNYBJT-UWVGGRQHSA-N 0 1 236.344 2.079 20 0 BEADMN C[C@@H](O)c1ncc(CN(C)CC2CC2)s1 ZINC000289235175 176000841 /nfs/dbraw/zinc/00/08/41/176000841.db2.gz YZPQNXFGJRLPOZ-MRVPVSSYSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@@H](Sc1nc(N)cc(N)n1)c1ccccc1 ZINC000070192923 176010746 /nfs/dbraw/zinc/01/07/46/176010746.db2.gz NUKGIKIJLCBBJX-MRVPVSSYSA-N 0 1 246.339 2.494 20 0 BEADMN C[C@@H](c1c(F)cccc1F)[N@@H+](C)CC(=O)[O-] ZINC000082717664 176012394 /nfs/dbraw/zinc/01/23/94/176012394.db2.gz QUGZLIYQHJBDPL-ZETCQYMHSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1CC[C@H](CO)C1 ZINC000269493350 176012759 /nfs/dbraw/zinc/01/27/59/176012759.db2.gz ZIIMKYJHQVNUJQ-UWVGGRQHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000336548440 176021629 /nfs/dbraw/zinc/02/16/29/176021629.db2.gz YLXFOXRCIXUAOD-GXTWGEPZSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@@H](c1ccccc1Cl)N(C)CCC(N)=O ZINC000058000395 176023995 /nfs/dbraw/zinc/02/39/95/176023995.db2.gz ULGQDCRIOWYLDH-VIFPVBQESA-N 0 1 240.734 2.208 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)Cc1nnc[nH]1 ZINC000174824285 176024517 /nfs/dbraw/zinc/02/45/17/176024517.db2.gz VLIZZAGFJXGFSP-VIFPVBQESA-N 0 1 234.278 2.137 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCc1cn[nH]c1 ZINC000298313484 176025946 /nfs/dbraw/zinc/02/59/46/176025946.db2.gz HYYQFKGOTSSRHG-NSHDSACASA-N 0 1 230.315 2.040 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000267422987 176026919 /nfs/dbraw/zinc/02/69/19/176026919.db2.gz WTOJMRNMQMSFHL-RYUDHWBXSA-N 0 1 220.316 2.111 20 0 BEADMN C[C@@H](c1ccccn1)N1CCSCC1 ZINC000036373067 176027461 /nfs/dbraw/zinc/02/74/61/176027461.db2.gz HIMXUPPNHKDBOT-JTQLQIEISA-N 0 1 208.330 2.191 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CC1=CCCOC1 ZINC000183705481 176033914 /nfs/dbraw/zinc/03/39/14/176033914.db2.gz OKBNJBXGZDZAPD-LBPRGKRZSA-N 0 1 232.327 2.421 20 0 BEADMN C[C@@H](c1cnccn1)N(C)C[C@H]1CCCCO1 ZINC000274246872 176035704 /nfs/dbraw/zinc/03/57/04/176035704.db2.gz FPDBACBLDRCKDH-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCCN1C ZINC000356999530 176077721 /nfs/dbraw/zinc/07/77/21/176077721.db2.gz UYJUVQHUXDOPOX-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNCc1csnn1 ZINC000042858512 176077742 /nfs/dbraw/zinc/07/77/42/176077742.db2.gz LVUVQRBRTSFRRB-NXEZZACHSA-N 0 1 225.361 2.454 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1ccncc1C(N)=O ZINC000302215017 176078162 /nfs/dbraw/zinc/07/81/62/176078162.db2.gz ITGHZRVEKLLGCB-GHMZBOCLSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000021805909 176081489 /nfs/dbraw/zinc/08/14/89/176081489.db2.gz BDRDWHLZDWQKDB-BDAKNGLRSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Nc1ccncc1C(N)=O ZINC000302031054 176081887 /nfs/dbraw/zinc/08/18/87/176081887.db2.gz NFKCRPDARUZNRB-KOLCDFICSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000336624391 176086570 /nfs/dbraw/zinc/08/65/70/176086570.db2.gz IIRDOTLNVGNBEE-GHMZBOCLSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1CCCN1Cc1ccc([S@](C)=O)cc1 ZINC000353592156 176110378 /nfs/dbraw/zinc/11/03/78/176110378.db2.gz PYOGYIGPHXYUMB-BZNIZROVSA-N 0 1 237.368 2.408 20 0 BEADMN C[C@@H]1CCC[C@@H](CNc2ccncc2C(N)=O)C1 ZINC000302205876 176119899 /nfs/dbraw/zinc/11/98/99/176119899.db2.gz DIFGWWDCBIWUBE-GHMZBOCLSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094565091 176122417 /nfs/dbraw/zinc/12/24/17/176122417.db2.gz ABQFPKHBUCAWHS-NXEZZACHSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000309555397 176124267 /nfs/dbraw/zinc/12/42/67/176124267.db2.gz JNMXVWNBPIYAKF-GMTAPVOTSA-N 0 1 222.336 2.044 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094565089 176142500 /nfs/dbraw/zinc/14/25/00/176142500.db2.gz ABQFPKHBUCAWHS-ZJUUUORDSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@](C)(N)c2ccccc2)[C@@H]1C ZINC000192507154 176161636 /nfs/dbraw/zinc/16/16/36/176161636.db2.gz WPNBCLPCIUXSAC-LALPHHSUSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000263739890 176171709 /nfs/dbraw/zinc/17/17/09/176171709.db2.gz RGKUJJXRPMKABD-BXKDBHETSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H]1CCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000263655091 176172915 /nfs/dbraw/zinc/17/29/15/176172915.db2.gz CKUYTXBRRPTZCG-NOZJJQNGSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)cc2F)[C@@H]1CO ZINC000189739270 176174718 /nfs/dbraw/zinc/17/47/18/176174718.db2.gz YCJMFUUUXYEZSD-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2nccn2C)C1 ZINC000275686707 176207539 /nfs/dbraw/zinc/20/75/39/176207539.db2.gz OYJGHEPGMBAEKP-GHMZBOCLSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)C(C)(C)C ZINC000352825613 176256859 /nfs/dbraw/zinc/25/68/59/176256859.db2.gz STVJRXOPLUSXOM-UTUOFQBUSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1CN(CC2=CCCCC2)CC[S@](=O)C1 ZINC000336272863 176284102 /nfs/dbraw/zinc/28/41/02/176284102.db2.gz FSGOREHBUBMPCC-WBMJQRKESA-N 0 1 241.400 2.187 20 0 BEADMN C[C@@H]1CN(CCCCO)[C@@H](c2ccccc2)CO1 ZINC000266526507 176288176 /nfs/dbraw/zinc/28/81/76/176288176.db2.gz DTVYFAFEUPLOJX-UKRRQHHQSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1CN(CCCCC2CCOCC2)CCO1 ZINC000337143847 176288444 /nfs/dbraw/zinc/28/84/44/176288444.db2.gz ZBRPRFBHNMNUKZ-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)[C@H](C)[C@@H](C)O1 ZINC000361850167 176293899 /nfs/dbraw/zinc/29/38/99/176293899.db2.gz PUICOJIFRGMIGQ-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC=CCC2)C[C@@H](C)S1=O ZINC000361660591 176299946 /nfs/dbraw/zinc/29/99/46/176299946.db2.gz LDNQWTCIUWCEDZ-UPJWGTAASA-N 0 1 241.400 2.184 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1O ZINC000306775527 176302703 /nfs/dbraw/zinc/30/27/03/176302703.db2.gz WYPKVAJBXKHIGL-VXNVDRBHSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)cc2)CCCO1 ZINC000170764882 176304779 /nfs/dbraw/zinc/30/47/79/176304779.db2.gz ATFLIKMNWOTCHL-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC000336350619 176310938 /nfs/dbraw/zinc/31/09/38/176310938.db2.gz MAHRSUKLYHGOIU-AOOOYVTPSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@@H]1CN(Cc2nccn2C)CC(C)(C)C1 ZINC000336430348 176312377 /nfs/dbraw/zinc/31/23/77/176312377.db2.gz RXROPIQDCJKNJG-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000274551343 176317028 /nfs/dbraw/zinc/31/70/28/176317028.db2.gz XLBJBAAFDLQZMP-MRVWCRGKSA-N 0 1 217.312 2.263 20 0 BEADMN C[C@@H]1CN([C@H]2CCc3ccccc3NC2=O)[C@@H]1C ZINC000339579282 176318265 /nfs/dbraw/zinc/31/82/65/176318265.db2.gz BMHNYQBSMCJMEA-GYSYKLTISA-N 0 1 244.338 2.280 20 0 BEADMN C[C@@H]1CN(c2nc3ccccc3o2)[C@H](C)CN1C ZINC000336382717 176321189 /nfs/dbraw/zinc/32/11/89/176321189.db2.gz KDLUPGLXTBLOBF-GHMZBOCLSA-N 0 1 245.326 2.357 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2cscn2)c2nccn21 ZINC000345347702 176375880 /nfs/dbraw/zinc/37/58/80/176375880.db2.gz FCLJQPFLLHYYQQ-MWLCHTKSSA-N 0 1 248.355 2.178 20 0 BEADMN CC(C)CCOCC[N@@H+](CCC(=O)[O-])C(C)C ZINC000049267575 487634074 /nfs/dbraw/zinc/63/40/74/487634074.db2.gz JYRFIUCSLFLGHU-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN C[C@@]1(CNCc2cocn2)CCCS1 ZINC000192325143 176533513 /nfs/dbraw/zinc/53/35/13/176533513.db2.gz FESUUIDKOMSALY-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000054069908 176582400 /nfs/dbraw/zinc/58/24/00/176582400.db2.gz DCOKDKVZROALDY-OALRPVAKSA-N 0 1 219.284 2.105 20 0 BEADMN c1nn2c(c1C[N@H+]1C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000668299262 487634817 /nfs/dbraw/zinc/63/48/17/487634817.db2.gz ZNIPZRRNQZRSFM-AAEUAGOBSA-N 0 1 231.343 2.204 20 0 BEADMN C[C@H](C[N@@H+](CCC1CCC1)C1CC1)C(=O)[O-] ZINC000659788090 487635193 /nfs/dbraw/zinc/63/51/93/487635193.db2.gz FZLGZYMGAOGDQR-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](NC[C@@H]1CCCC[C@H]1O)c1cscn1 ZINC000252788136 176860361 /nfs/dbraw/zinc/86/03/61/176860361.db2.gz KUBOXJIJWNJKON-JBLDHEPKSA-N 0 1 240.372 2.345 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000129938923 177014658 /nfs/dbraw/zinc/01/46/58/177014658.db2.gz VITUTWVEIQHWFL-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000162809418 177014762 /nfs/dbraw/zinc/01/47/62/177014762.db2.gz IWABQXSTSWSKKE-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000162823687 177015798 /nfs/dbraw/zinc/01/57/98/177015798.db2.gz PTYRXTVLEXXRBU-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)c1ncc(CN(C)C2CCC2)s1 ZINC000290175943 177019028 /nfs/dbraw/zinc/01/90/28/177019028.db2.gz YTXSTNHOSKAQEG-QMMMGPOBSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)C1CC1 ZINC000281078091 177030211 /nfs/dbraw/zinc/03/02/11/177030211.db2.gz WELLFGKTHKDUOY-LURJTMIESA-N 0 1 237.328 2.142 20 0 BEADMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)C1CC1 ZINC000281078091 177030212 /nfs/dbraw/zinc/03/02/12/177030212.db2.gz WELLFGKTHKDUOY-LURJTMIESA-N 0 1 237.328 2.142 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](CO)C1 ZINC000304416528 177031785 /nfs/dbraw/zinc/03/17/85/177031785.db2.gz DALQFQKLFYLPHP-NXEZZACHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)[O-] ZINC000082717784 177034372 /nfs/dbraw/zinc/03/43/72/177034372.db2.gz GWHHQNPPELURBQ-SSDOTTSWSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@H](c1ccccc1)N(C(=O)CN(C)C)C1CC1 ZINC000298685383 177037405 /nfs/dbraw/zinc/03/74/05/177037405.db2.gz DJDOCNJUUAZHFG-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccn[nH]1 ZINC000174469726 177037963 /nfs/dbraw/zinc/03/79/63/177037963.db2.gz WMRDVSFNHBYJBQ-LLVKDONJSA-N 0 1 243.310 2.172 20 0 BEADMN C[C@H](c1ccccc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000336548443 177038790 /nfs/dbraw/zinc/03/87/90/177038790.db2.gz YLXFOXRCIXUAOD-TZMCWYRMSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@H](c1cccs1)N(C)C(=O)c1cnc[nH]1 ZINC000299635670 177048792 /nfs/dbraw/zinc/04/87/92/177048792.db2.gz LXIBUXOVXOKOAH-MRVPVSSYSA-N 0 1 235.312 2.304 20 0 BEADMN C[C@H](c1cccs1)N(C)C(=O)Cc1ccn[nH]1 ZINC000175510460 177049121 /nfs/dbraw/zinc/04/91/21/177049121.db2.gz LGMREMWWSHFGDJ-SECBINFHSA-N 0 1 249.339 2.233 20 0 BEADMN C[C@H](c1cnccn1)N1CCC(CF)CC1 ZINC000295193325 177051490 /nfs/dbraw/zinc/05/14/90/177051490.db2.gz UAVXKEBGIIATRK-SNVBAGLBSA-N 0 1 223.295 2.219 20 0 BEADMN C[C@H]1C(=O)NCCN1CC1CCC(C)(C)CC1 ZINC000123459445 177059654 /nfs/dbraw/zinc/05/96/54/177059654.db2.gz IKPZCZFRWWKQCO-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cc1n[nH]c(C2CC2)n1 ZINC000336462342 177067573 /nfs/dbraw/zinc/06/75/73/177067573.db2.gz YBEYSPLSALHYEM-JTQLQIEISA-N 0 1 246.358 2.447 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000298596420 177082795 /nfs/dbraw/zinc/08/27/95/177082795.db2.gz XFNGJVXKFKWUQR-ONGXEEELSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)Cc1nccc(N)n1 ZINC000119985342 177087510 /nfs/dbraw/zinc/08/75/10/177087510.db2.gz WZSICLQJLVHFIG-WDEREUQCSA-N 0 1 234.347 2.069 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1coc(CN)c1 ZINC000187187820 177115591 /nfs/dbraw/zinc/11/55/91/177115591.db2.gz WOINJSGZGCVCSA-AOOOYVTPSA-N 0 1 236.315 2.141 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177009063 177152747 /nfs/dbraw/zinc/15/27/47/177152747.db2.gz KSRGGPGJLDPGAO-DTWKUNHWSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000263839762 177154294 /nfs/dbraw/zinc/15/42/94/177154294.db2.gz WPNIWLITAKIAAP-VIFPVBQESA-N 0 1 229.283 2.045 20 0 BEADMN C[C@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000263739891 177162592 /nfs/dbraw/zinc/16/25/92/177162592.db2.gz RGKUJJXRPMKABD-CABZTGNLSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H]1CCN(Cc2ccccc2F)C[C@H]1O ZINC000299891174 177165604 /nfs/dbraw/zinc/16/56/04/177165604.db2.gz JBJGCCWIROSJIU-GXFFZTMASA-N 0 1 223.291 2.028 20 0 BEADMN C[C@H]1CCN(Cc2nccn2C)CC12CCC2 ZINC000334155967 177168697 /nfs/dbraw/zinc/16/86/97/177168697.db2.gz XBRUPAKXMPUGPY-LBPRGKRZSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1CCN(c2ccnc3ccccc32)[C@H]1CO ZINC000248867784 177171715 /nfs/dbraw/zinc/17/17/15/177171715.db2.gz BDFIZCNIIOVKOD-NHYWBVRUSA-N 0 1 242.322 2.442 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1cn2cccnc2n1 ZINC000174014481 177185317 /nfs/dbraw/zinc/18/53/17/177185317.db2.gz UAZYZMQXFUSIRV-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H]1CC[C@](CO)(N(C)Cc2nccs2)C1 ZINC000187943779 177208241 /nfs/dbraw/zinc/20/82/41/177208241.db2.gz WCDMVQGKQUSQFN-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H](CC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000237607463 177217520 /nfs/dbraw/zinc/21/75/20/177217520.db2.gz UMCOZCQQOIGNOS-OLZOCXBDSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H]1CN(C(=O)c2ccn[nH]2)[C@H]2CCCC[C@H]12 ZINC000183852891 177225994 /nfs/dbraw/zinc/22/59/94/177225994.db2.gz YVHJPIBEGFSJBL-UMNHJUIQSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000294067925 177228146 /nfs/dbraw/zinc/22/81/46/177228146.db2.gz LIRZJDXHXZZCKB-IUCAKERBSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000266299455 177230514 /nfs/dbraw/zinc/23/05/14/177230514.db2.gz IWGRIRJRXQOVSI-GWCFXTLKSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1CN(c2nc3ccccc3o2)[C@@H](C)CN1C ZINC000336382718 177239259 /nfs/dbraw/zinc/23/92/59/177239259.db2.gz KDLUPGLXTBLOBF-MNOVXSKESA-N 0 1 245.326 2.357 20 0 BEADMN C[C@H]1CN(CCCCOC(C)(C)C)CCC1=O ZINC000338565593 177248451 /nfs/dbraw/zinc/24/84/51/177248451.db2.gz ZIFWVXKVOXEQDS-LBPRGKRZSA-N 0 1 241.375 2.493 20 0 BEADMN C[C@H]1CN(Cc2ccc(F)cc2)CCCO1 ZINC000170764884 177263494 /nfs/dbraw/zinc/26/34/94/177263494.db2.gz ATFLIKMNWOTCHL-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1O ZINC000306775525 177263921 /nfs/dbraw/zinc/26/39/21/177263921.db2.gz WYPKVAJBXKHIGL-CBAPKCEASA-N 0 1 231.748 2.214 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)c2)C[C@H](C2CC2)O1 ZINC000280534695 177268279 /nfs/dbraw/zinc/26/82/79/177268279.db2.gz IRJJGMMCVCTTQU-SMDDNHRTSA-N 0 1 234.343 2.024 20 0 BEADMN C[C@@H]1CN(CC[C@@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000226821059 177301662 /nfs/dbraw/zinc/30/16/62/177301662.db2.gz QNNVEGRARYVNHE-GZBFAFLISA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCC(=O)[O-])C1 ZINC000020474597 177312743 /nfs/dbraw/zinc/31/27/43/177312743.db2.gz JTOBGMNOOKJPLE-PHIMTYICSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cnns2)C1 ZINC000336685277 177315215 /nfs/dbraw/zinc/31/52/15/177315215.db2.gz KQNVYTUOGVCEMK-UTLUCORTSA-N 0 1 225.361 2.405 20 0 BEADMN C[C@H]1C[C@@H](NCCOC2CCCC2)c2nccn21 ZINC000345344053 177332648 /nfs/dbraw/zinc/33/26/48/177332648.db2.gz ADBJEAPNAJTFST-WCQYABFASA-N 0 1 249.358 2.438 20 0 BEADMN C[C@H]1C[C@@H](O)CN1c1ccnc2ccccc21 ZINC000336057184 177338181 /nfs/dbraw/zinc/33/81/81/177338181.db2.gz IPQVOTFQMCUJBR-WDEREUQCSA-N 0 1 228.295 2.194 20 0 BEADMN C[C@H]1C[C@H](CN(C)Cc2nccs2)CCO1 ZINC000352617679 177360970 /nfs/dbraw/zinc/36/09/70/177360970.db2.gz HAEXXRGEHMCWDU-WDEREUQCSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1cc(Cl)cs1 ZINC000336418577 177373262 /nfs/dbraw/zinc/37/32/62/177373262.db2.gz QWFBKJYHMAGEOE-CBAPKCEASA-N 0 1 231.748 2.357 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@@H]1NCC(F)(F)CO ZINC000193149483 224799593 /nfs/dbraw/zinc/79/95/93/224799593.db2.gz SRGSFNSOVRGHPL-BDAKNGLRSA-N 0 1 221.291 2.028 20 0 BEADMN CCc1ncc(CNC(=O)CCC2CCC2)[nH]1 ZINC001652463702 1173087746 /nfs/dbraw/zinc/08/77/46/1173087746.db2.gz KJJGRVHLWRZVSH-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN C[C@H](CO)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000678044504 487644503 /nfs/dbraw/zinc/64/45/03/487644503.db2.gz SRCHWEBVAMWBGL-YDHLFZDLSA-N 0 1 249.354 2.077 20 0 BEADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cnccn1 ZINC000507243097 226367943 /nfs/dbraw/zinc/36/79/43/226367943.db2.gz KBGRWCXJLXUJIV-MRVPVSSYSA-N 0 1 245.248 2.470 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000079488148 487650193 /nfs/dbraw/zinc/65/01/93/487650193.db2.gz RMRSCRFSHRAUMS-CYBMUJFWSA-N 0 1 219.284 2.126 20 0 BEADMN CN(CCCOC(C)(C)C)Cc1cnccn1 ZINC000674909928 487652364 /nfs/dbraw/zinc/65/23/64/487652364.db2.gz WCNPEKNJSMHNKW-UHFFFAOYSA-N 0 1 237.347 2.114 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)C(C)(F)F ZINC000328328388 487657441 /nfs/dbraw/zinc/65/74/41/487657441.db2.gz GSZBGWSEKPNPJJ-RQJHMYQMSA-N 0 1 231.246 2.253 20 0 BEADMN CC[C@](C)(CNCc1ncc(C)s1)OC ZINC000394720278 262745280 /nfs/dbraw/zinc/74/52/80/262745280.db2.gz DUUJVMNOUBIHDQ-LLVKDONJSA-N 0 1 228.361 2.356 20 0 BEADMN CCCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612151 487670426 /nfs/dbraw/zinc/67/04/26/487670426.db2.gz PQIAXELTRBSSLR-ZDUSSCGKSA-N 0 1 233.311 2.471 20 0 BEADMN CC[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612454 487670859 /nfs/dbraw/zinc/67/08/59/487670859.db2.gz FMYCSJWRUWPSRI-ZWNOBZJWSA-N 0 1 233.311 2.469 20 0 BEADMN CC(C)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612202 487670890 /nfs/dbraw/zinc/67/08/90/487670890.db2.gz MFGUWIKDZHCWEE-CYBMUJFWSA-N 0 1 233.311 2.326 20 0 BEADMN Cc1nccc(N[C@@H](C)CCCCO)c1Cl ZINC000398384563 262760695 /nfs/dbraw/zinc/76/06/95/262760695.db2.gz AVNULUYNGYSHPP-VIFPVBQESA-N 0 1 242.750 2.428 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2cscn2)C12CCC2 ZINC000308338512 229226949 /nfs/dbraw/zinc/22/69/49/229226949.db2.gz GDRLTOQGICMHPU-GHMZBOCLSA-N 0 1 238.356 2.190 20 0 BEADMN CC[C@H](O)CCCNCc1ncc(C)s1 ZINC000398539683 262762988 /nfs/dbraw/zinc/76/29/88/262762988.db2.gz BTKFCJWMUGRESW-JTQLQIEISA-N 0 1 228.361 2.092 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000054053200 487678920 /nfs/dbraw/zinc/67/89/20/487678920.db2.gz WCKRQOVZWPLDHC-SSDOTTSWSA-N 0 1 221.235 2.156 20 0 BEADMN CCc1cc(C)nc(N2CCc3cnccc32)n1 ZINC000680957284 487679333 /nfs/dbraw/zinc/67/93/33/487679333.db2.gz DMDHXEZBEPYDFV-UHFFFAOYSA-N 0 1 240.310 2.437 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000675225737 487681749 /nfs/dbraw/zinc/68/17/49/487681749.db2.gz JDRCUYVXEOOFJD-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)CCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666153475 487686734 /nfs/dbraw/zinc/68/67/34/487686734.db2.gz AEGJDLDOJCEMBZ-LLVKDONJSA-N 0 1 249.358 2.067 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)C[C@@H](C)CC)n1 ZINC000176881436 487687104 /nfs/dbraw/zinc/68/71/04/487687104.db2.gz FFCDCPMUJSLSOI-JTQLQIEISA-N 0 1 237.347 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C[C@@H](C)CC)n1 ZINC000176881436 487687110 /nfs/dbraw/zinc/68/71/10/487687110.db2.gz FFCDCPMUJSLSOI-JTQLQIEISA-N 0 1 237.347 2.223 20 0 BEADMN Cc1cncc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000228612585 487689611 /nfs/dbraw/zinc/68/96/11/487689611.db2.gz IUEQSWONZVPGBU-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cc(CNC/C=C/c2ccncc2)on1 ZINC000487273078 533685482 /nfs/dbraw/zinc/68/54/82/533685482.db2.gz MPDMRKJIYOLBIQ-NSCUHMNNSA-N 0 1 229.283 2.181 20 0 BEADMN CC(C)(CNCc1ncc[nH]1)C(F)(F)F ZINC000380345130 487694687 /nfs/dbraw/zinc/69/46/87/487694687.db2.gz SXQCAEQOLXCCNS-UHFFFAOYSA-N 0 1 221.226 2.088 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2COC(C)(C)C2)c2nccn21 ZINC000396525678 262805098 /nfs/dbraw/zinc/80/50/98/262805098.db2.gz XBPJSXZGSWCLRF-OUAUKWLOSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(C)o1 ZINC000528758515 262970605 /nfs/dbraw/zinc/97/06/05/262970605.db2.gz JOQYOZYVJPCKCZ-QCKLWGPPSA-N 0 1 238.331 2.193 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683789990 487700385 /nfs/dbraw/zinc/70/03/85/487700385.db2.gz UOURRAWROALPAA-XPUUQOCRSA-N 0 1 233.246 2.297 20 0 BEADMN C[C@H](c1cnccn1)N1CC[C@H](C(F)F)C1 ZINC000681025514 487701688 /nfs/dbraw/zinc/70/16/88/487701688.db2.gz ZUHIMHVRSLDTDG-BDAKNGLRSA-N 0 1 227.258 2.125 20 0 BEADMN CCN(CCOC)Cc1cccc(OC)c1F ZINC000669707263 487710241 /nfs/dbraw/zinc/71/02/41/487710241.db2.gz FRYUIPGHPFRJNK-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CC(C)CC[C@H](O)CN1CCC[C@H](F)C1 ZINC000902995877 584713971 /nfs/dbraw/zinc/71/39/71/584713971.db2.gz OTBLHBREYZZSEN-RYUDHWBXSA-N 0 1 217.328 2.217 20 0 BEADMN CCCC1(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC000675367840 487720687 /nfs/dbraw/zinc/72/06/87/487720687.db2.gz WFMBFQDQZGDTKD-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@@H]1CC(C)(C)C)N(C)C ZINC000674246603 487722207 /nfs/dbraw/zinc/72/22/07/487722207.db2.gz ONXSYIAZKWNSBK-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCN(Cc1nccs1)C[C@H]1CCOC1 ZINC000676714629 487723955 /nfs/dbraw/zinc/72/39/55/487723955.db2.gz NMYFHILUCRYEIE-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCCN1C ZINC000675432784 487724466 /nfs/dbraw/zinc/72/44/66/487724466.db2.gz IEYIUKLUALUXCA-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1F ZINC000384593690 487728155 /nfs/dbraw/zinc/72/81/55/487728155.db2.gz DUMCAHRRCLVZNQ-LLVKDONJSA-N 0 1 239.290 2.429 20 0 BEADMN O=C([O-])[C@H]1C[N@@H+](CCC2CC2)Cc2ccccc21 ZINC000088491630 487729696 /nfs/dbraw/zinc/72/96/96/487729696.db2.gz QMUDLVJOPLYQQA-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN COc1cccc2c1CC[C@H]2NCc1cn[nH]c1 ZINC000675348242 487738593 /nfs/dbraw/zinc/73/85/93/487738593.db2.gz CQAQSKYBPXWUKW-CYBMUJFWSA-N 0 1 243.310 2.195 20 0 BEADMN CCC(CC)(CC)C(=O)N1CCCN(C)CC1 ZINC000675530234 487744934 /nfs/dbraw/zinc/74/49/34/487744934.db2.gz WDXPNHRQCASGAD-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCCCCc1cc(C(=O)N(C)CC)n[nH]1 ZINC000666178222 487746021 /nfs/dbraw/zinc/74/60/21/487746021.db2.gz KCXUSEZMIDFBRS-UHFFFAOYSA-N 0 1 223.320 2.234 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000042457327 487749992 /nfs/dbraw/zinc/74/99/92/487749992.db2.gz WQHODBCVCFGRHI-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CC[C@H](C(=O)OCC(C)C)N(CC)CC ZINC000741032919 585109423 /nfs/dbraw/zinc/10/94/23/585109423.db2.gz LHSSMXKBWMAVEB-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@H]1NCC(F)(F)CN ZINC000414927120 487763252 /nfs/dbraw/zinc/76/32/52/487763252.db2.gz LAIYKAMBTKPJSZ-VHSXEESVSA-N 0 1 234.334 2.385 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(F)cc1 ZINC000293677995 487769803 /nfs/dbraw/zinc/76/98/03/487769803.db2.gz VFJVYDFLYJJGCZ-LBPRGKRZSA-N 0 1 209.264 2.046 20 0 BEADMN CC(=O)Nc1ccc(CN2CC3(CC3)C2)cc1 ZINC000334743362 487773004 /nfs/dbraw/zinc/77/30/04/487773004.db2.gz SGPJGHJEVNFAGR-UHFFFAOYSA-N 0 1 230.311 2.241 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666308344 487783515 /nfs/dbraw/zinc/78/35/15/487783515.db2.gz QSYXKCLADIZEIP-SNVBAGLBSA-N 0 1 249.358 2.067 20 0 BEADMN c1nnn(-c2ccccc2)c1CN1CCCCC1 ZINC000675836432 487784203 /nfs/dbraw/zinc/78/42/03/487784203.db2.gz YWTVASBQGVZABL-UHFFFAOYSA-N 0 1 242.326 2.253 20 0 BEADMN C[C@@H]1CCCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000681363512 487784671 /nfs/dbraw/zinc/78/46/71/487784671.db2.gz NOZULNKHQUDSQP-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cccc(NC(=O)CN(C)CC(C)(C)C)n1 ZINC000675889059 487787414 /nfs/dbraw/zinc/78/74/14/487787414.db2.gz XRCNQEVHSKYESO-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN COC(=O)c1ccc(CN2CCCC[C@@H]2C)o1 ZINC000069874992 487790341 /nfs/dbraw/zinc/79/03/41/487790341.db2.gz QBDNQDQYQPESJS-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN CCC[C@H](O)CN1CCn2cccc2[C@H]1C ZINC000296670741 487791511 /nfs/dbraw/zinc/79/15/11/487791511.db2.gz ZJJKSYUZVCHGNR-NEPJUHHUSA-N 0 1 222.332 2.026 20 0 BEADMN COCCC1CN(Cc2ccc3c(n2)CCC3)C1 ZINC000668471859 487795907 /nfs/dbraw/zinc/79/59/07/487795907.db2.gz NTBGMGDHCYTZOH-UHFFFAOYSA-N 0 1 246.354 2.039 20 0 BEADMN COCCC1CN(Cc2ccccc2F)C1 ZINC000668472425 487797102 /nfs/dbraw/zinc/79/71/02/487797102.db2.gz KKDVZTRATWSOIS-UHFFFAOYSA-N 0 1 223.291 2.294 20 0 BEADMN CC[C@H](C)N(CCO)Cc1ncc(C)s1 ZINC000672568577 487798796 /nfs/dbraw/zinc/79/87/96/487798796.db2.gz HZPZVHPWYXFSSJ-VIFPVBQESA-N 0 1 228.361 2.044 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)n[nH]1 ZINC000681476793 487802382 /nfs/dbraw/zinc/80/23/82/487802382.db2.gz YWPDSFVHNIKITC-DGCLKSJQSA-N 0 1 235.331 2.017 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1csnn1 ZINC000414298420 487803472 /nfs/dbraw/zinc/80/34/72/487803472.db2.gz IJXSWUQRQSCXEB-UJNFCWOMSA-N 0 1 223.345 2.377 20 0 BEADMN C[C@H]1COCCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000678272700 487803989 /nfs/dbraw/zinc/80/39/89/487803989.db2.gz HNHQIQMYEPVXQD-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1COCCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678272700 487803997 /nfs/dbraw/zinc/80/39/97/487803997.db2.gz HNHQIQMYEPVXQD-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1COCCCN1Cc1n[nH]c2ccccc21 ZINC000678272700 487804006 /nfs/dbraw/zinc/80/40/06/487804006.db2.gz HNHQIQMYEPVXQD-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN CCc1nn(C)cc1CN[C@@H]1CCCC[C@H]1F ZINC000666436891 487809552 /nfs/dbraw/zinc/80/95/52/487809552.db2.gz RQJGJUXYKAPTSC-DGCLKSJQSA-N 0 1 239.338 2.353 20 0 BEADMN CC[C@@H](NCc1nccs1)[C@@H](O)C(C)C ZINC000666446713 487811921 /nfs/dbraw/zinc/81/19/21/487811921.db2.gz HSHGBALAOKJVEL-KOLCDFICSA-N 0 1 228.361 2.028 20 0 BEADMN c1nc(CN2CC[C@@H](C3CCC3)C2)co1 ZINC000666487650 487819719 /nfs/dbraw/zinc/81/97/19/487819719.db2.gz DKZOFVGCMXFRRN-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN CCC1(CC)CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000681639763 487828511 /nfs/dbraw/zinc/82/85/11/487828511.db2.gz XQPRQNXLAORYDM-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000666578587 487834463 /nfs/dbraw/zinc/83/44/63/487834463.db2.gz HRTWTGNGSKLQCB-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1c(C2CC2)cnn1C ZINC000668090782 487834983 /nfs/dbraw/zinc/83/49/83/487834983.db2.gz SCRKSZVXCQLIIY-AOOOYVTPSA-N 0 1 219.332 2.280 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1ccnn1CC1CC1 ZINC000668090544 487834752 /nfs/dbraw/zinc/83/47/52/487834752.db2.gz NCWJXWWCHXRGRR-GHMZBOCLSA-N 0 1 219.332 2.276 20 0 BEADMN CC(C)C(NCc1cnsn1)C(C)C ZINC000846850742 588292893 /nfs/dbraw/zinc/29/28/93/588292893.db2.gz SHNNFQNICDHFTQ-UHFFFAOYSA-N 0 1 213.350 2.308 20 0 BEADMN CCOC(=O)c1ccc(CN2[C@@H](C)C[C@@H]2C)nc1 ZINC000565933144 322949212 /nfs/dbraw/zinc/94/92/12/322949212.db2.gz GFRQMCQELBVZQM-QWRGUYRKSA-N 0 1 248.326 2.241 20 0 BEADMN COc1ccc(F)cc1CNCc1cc(C)[nH]n1 ZINC000681697436 487842780 /nfs/dbraw/zinc/84/27/80/487842780.db2.gz JAEHNEPWSHQLMM-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN CCCc1cc(C(=O)N(CC)CC(C)C)n[nH]1 ZINC000045507062 487842819 /nfs/dbraw/zinc/84/28/19/487842819.db2.gz ITKHSBQKBBXHLJ-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CCSc1cc(CNCc2cn[nH]c2)ccn1 ZINC000681699684 487843161 /nfs/dbraw/zinc/84/31/61/487843161.db2.gz IUZACKNQJJQZRU-UHFFFAOYSA-N 0 1 248.355 2.207 20 0 BEADMN C[C@](O)(CN[C@@H]1CCCC[C@@H]1F)C(F)(F)F ZINC000872217931 589896024 /nfs/dbraw/zinc/89/60/24/589896024.db2.gz CWKNERZQJXASFY-YIZRAAEISA-N 0 1 243.244 2.170 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C(C)C)C(C)C)c1C ZINC000676400189 487846455 /nfs/dbraw/zinc/84/64/55/487846455.db2.gz NVCKNYBLCIMBPI-UHFFFAOYSA-N 0 1 237.347 2.437 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1nc(Cl)cs1 ZINC000877024733 590271013 /nfs/dbraw/zinc/27/10/13/590271013.db2.gz MTWCXIAGBVWEPP-SFYZADRCSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)C1CCCCC1 ZINC000062618919 487846795 /nfs/dbraw/zinc/84/67/95/487846795.db2.gz IUFXTEPHKQOYKP-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN CSC(C)(C)CCN1CCO[C@@H](CF)C1 ZINC000877587685 590368446 /nfs/dbraw/zinc/36/84/46/590368446.db2.gz PWNRJDFCXLYREK-JTQLQIEISA-N 0 1 235.368 2.188 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)C1CCCCC1 ZINC000062618917 487846574 /nfs/dbraw/zinc/84/65/74/487846574.db2.gz IUFXTEPHKQOYKP-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN CN(C1COC1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172717353 974904028 /nfs/dbraw/zinc/90/40/28/974904028.db2.gz FMJHKFWBPWZYPT-LBPRGKRZSA-N 0 1 237.730 2.138 20 0 BEADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000676463614 487852308 /nfs/dbraw/zinc/85/23/08/487852308.db2.gz XXDZXNAYMCCNPP-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000681748476 487852361 /nfs/dbraw/zinc/85/23/61/487852361.db2.gz SRIYPMPUGBHXTM-GWCFXTLKSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@@H](N[C@H]1CCC12CCOCC2)c1ccon1 ZINC000558622411 322952460 /nfs/dbraw/zinc/95/24/60/322952460.db2.gz FUQBISIBDFITFC-PWSUYJOCSA-N 0 1 236.315 2.284 20 0 BEADMN C[C@H](N[C@@H]1CCC12CCOCC2)c1ccon1 ZINC000558622408 322952462 /nfs/dbraw/zinc/95/24/62/322952462.db2.gz FUQBISIBDFITFC-CMPLNLGQSA-N 0 1 236.315 2.284 20 0 BEADMN Cn1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000651912126 487860337 /nfs/dbraw/zinc/86/03/37/487860337.db2.gz MGKNHWSCBSFUNV-CMPLNLGQSA-N 0 1 221.348 2.334 20 0 BEADMN Cc1nc2cc(N[C@@H]3CO[C@H](C)C3)ccc2n1C ZINC000647195583 487864199 /nfs/dbraw/zinc/86/41/99/487864199.db2.gz WXTMOGRBVUOWSF-SKDRFNHKSA-N 0 1 245.326 2.471 20 0 BEADMN C[C@H](CS(C)(=O)=O)N(C)C[C@H](C)C(C)(C)C ZINC000670264588 487865415 /nfs/dbraw/zinc/86/54/15/487865415.db2.gz ZFXHXLSLWSRHOE-WDEREUQCSA-N 0 1 249.420 2.034 20 0 BEADMN CC[C@@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000164651510 487867887 /nfs/dbraw/zinc/86/78/87/487867887.db2.gz PBNCSIPVHGCDJE-RKDXNWHRSA-N 0 1 209.293 2.083 20 0 BEADMN CC[C@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000164651625 487868334 /nfs/dbraw/zinc/86/83/34/487868334.db2.gz PBNCSIPVHGCDJE-DTWKUNHWSA-N 0 1 209.293 2.083 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)[C@@H](C)CO1 ZINC000651931167 487869091 /nfs/dbraw/zinc/86/90/91/487869091.db2.gz MNIHDSNXMDHMNJ-AAEUAGOBSA-N 0 1 222.332 2.024 20 0 BEADMN COCC1(C2CCC2)CN(Cc2cccnc2)C1 ZINC000668511741 487870113 /nfs/dbraw/zinc/87/01/13/487870113.db2.gz HHYTXXYDHCVQRV-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@@H](C)C1 ZINC000227542664 641732820 /nfs/dbraw/zinc/73/28/20/641732820.db2.gz QIELATDFRQNQST-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304159885 487873068 /nfs/dbraw/zinc/87/30/68/487873068.db2.gz BGZVOTHAMZZAIB-ONGXEEELSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H]1CN(CCSC2CCC2)C[C@@H](C)O1 ZINC000569356988 322963673 /nfs/dbraw/zinc/96/36/73/322963673.db2.gz RYZJGTQVDAXUED-GHMZBOCLSA-N 0 1 229.389 2.381 20 0 BEADMN Cc1cc(CNC(=O)C2(C)CCCCC2)n[nH]1 ZINC000681996636 487877317 /nfs/dbraw/zinc/87/73/17/487877317.db2.gz WXLUEZXYFARXCP-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CCOCCNC1(c2ccccc2OC)CC1 ZINC000645999155 487880493 /nfs/dbraw/zinc/88/04/93/487880493.db2.gz AKIKIVYBPMBZSV-UHFFFAOYSA-N 0 1 235.327 2.310 20 0 BEADMN CC1CC(NCc2nc(Br)c[nH]2)C1 ZINC000306486615 643328304 /nfs/dbraw/zinc/32/83/04/643328304.db2.gz SMYJCYJIKHRYIA-UHFFFAOYSA-N 0 1 244.136 2.060 20 0 BEADMN CC1CN(Cc2n[nH]c3ccccc32)C1 ZINC000670270618 487886196 /nfs/dbraw/zinc/88/61/96/487886196.db2.gz AMGYTBGKACRKIC-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN CC1CN(Cc2[nH]nc3ccccc32)C1 ZINC000670270618 487886206 /nfs/dbraw/zinc/88/62/06/487886206.db2.gz AMGYTBGKACRKIC-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN CC(C)NC(=O)CN(C)C(C)(C)c1ccccc1 ZINC000671245636 487888463 /nfs/dbraw/zinc/88/84/63/487888463.db2.gz FIZXJNPLQUUZHP-UHFFFAOYSA-N 0 1 248.370 2.378 20 0 BEADMN Cc1cccc(CN2CCCOC[C@@H]2C)n1 ZINC000676713888 487892877 /nfs/dbraw/zinc/89/28/77/487892877.db2.gz MPCNPCWODUGBMU-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)CCO[C@@H]1CCN(Cc2ccno2)C1 ZINC000533484481 487893529 /nfs/dbraw/zinc/89/35/29/487893529.db2.gz JPZQLNMYIOUALK-GFCCVEGCSA-N 0 1 238.331 2.312 20 0 BEADMN CCOCCN(C)[C@@H](C)c1cnc(C)nc1C ZINC000682074232 487896486 /nfs/dbraw/zinc/89/64/86/487896486.db2.gz CIKAAGYNDBBTPR-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN C[C@H](Cc1ccsc1)N1CC[C@](F)(CO)C1 ZINC000670273384 487896920 /nfs/dbraw/zinc/89/69/20/487896920.db2.gz NASCXWJJOULXPJ-ZYHUDNBSSA-N 0 1 243.347 2.085 20 0 BEADMN Cc1ncc([C@H](C)N2CC=CCC2)c(C)n1 ZINC000682078525 487903854 /nfs/dbraw/zinc/90/38/54/487903854.db2.gz ZSVSRYOSENMBGM-NSHDSACASA-N 0 1 217.316 2.416 20 0 BEADMN Cc1cc(CC(=O)N[C@H](C)c2ccsc2)[nH]n1 ZINC000669900117 487912602 /nfs/dbraw/zinc/91/26/02/487912602.db2.gz DMQPVCANDXRMHI-SECBINFHSA-N 0 1 249.339 2.200 20 0 BEADMN FC(F)O[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000682163894 487920595 /nfs/dbraw/zinc/92/05/95/487920595.db2.gz FRLCZTXPSIDVDT-GHMZBOCLSA-N 0 1 249.301 2.117 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762355 487920898 /nfs/dbraw/zinc/92/08/98/487920898.db2.gz RWWIPVASHMXSSZ-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000049818488 487922117 /nfs/dbraw/zinc/92/21/17/487922117.db2.gz QEKOQHIOFUBKJM-NSHDSACASA-N 0 1 221.300 2.024 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@H]1CCC2(CCCC2)O1 ZINC000669931953 487934056 /nfs/dbraw/zinc/93/40/56/487934056.db2.gz JSSXBPOGZVOXCY-CYBMUJFWSA-N 0 1 249.358 2.333 20 0 BEADMN CC(C)(C)n1ncnc1CNC1(C2CC2)CC1 ZINC000669933075 487937572 /nfs/dbraw/zinc/93/75/72/487937572.db2.gz DLWORVJFPZAMQZ-UHFFFAOYSA-N 0 1 234.347 2.065 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000396537194 487939288 /nfs/dbraw/zinc/93/92/88/487939288.db2.gz LZCBYLKHFNAOEC-GHMZBOCLSA-N 0 1 235.331 2.003 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839773 487941853 /nfs/dbraw/zinc/94/18/53/487941853.db2.gz HJBBAGAYAJKCNO-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC=CCC1 ZINC000652392815 487942385 /nfs/dbraw/zinc/94/23/85/487942385.db2.gz BNNNUXQRUBMXIU-SNVBAGLBSA-N 0 1 223.297 2.136 20 0 BEADMN O=C([O-])[C@@H](c1ccsc1)[N@@H+]1CC=CCC1 ZINC000652392815 487942393 /nfs/dbraw/zinc/94/23/93/487942393.db2.gz BNNNUXQRUBMXIU-SNVBAGLBSA-N 0 1 223.297 2.136 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@@H+]1CC=CCC1 ZINC000652392843 487942567 /nfs/dbraw/zinc/94/25/67/487942567.db2.gz DFPJZRNKVSZEJO-UHFFFAOYSA-N 0 1 235.258 2.286 20 0 BEADMN C[C@@H]1C[C@@H]1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000049219793 487945754 /nfs/dbraw/zinc/94/57/54/487945754.db2.gz KBMYDJPXNVXPOV-HTQZYQBOSA-N 0 1 247.273 2.088 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667142214 487946209 /nfs/dbraw/zinc/94/62/09/487946209.db2.gz ORZSFVXGBCAYER-GARJFASQSA-N 0 1 249.358 2.065 20 0 BEADMN C[N@@H+](Cc1ccsc1)CC1(CC(=O)[O-])CC1 ZINC000083854688 487947742 /nfs/dbraw/zinc/94/77/42/487947742.db2.gz LGMNRFVNMVAIDD-UHFFFAOYSA-N 0 1 239.340 2.435 20 0 BEADMN CC(=O)NCCN(C)Cc1cc2ccccc2o1 ZINC000673857293 487953367 /nfs/dbraw/zinc/95/33/67/487953367.db2.gz PLKIWAFHBUSIMY-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000569566763 322970368 /nfs/dbraw/zinc/97/03/68/322970368.db2.gz DDQFLPISCGDQEE-WHOHXGKFSA-N 0 1 247.342 2.330 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cscn1 ZINC000560897011 322993170 /nfs/dbraw/zinc/99/31/70/322993170.db2.gz LUKDYDVQNUSBSE-KKZNHRDASA-N 0 1 226.345 2.361 20 0 BEADMN O=C(CCc1cnc[nH]1)Nc1ccccc1F ZINC000074727116 323002694 /nfs/dbraw/zinc/00/26/94/323002694.db2.gz VQGUGRYFKWQMOW-UHFFFAOYSA-N 0 1 233.246 2.120 20 0 BEADMN c1cnc(CNC2CCC3(CCCO3)CC2)nc1 ZINC000566501414 323003736 /nfs/dbraw/zinc/00/37/36/323003736.db2.gz QTVYGAJPKRNPSX-UHFFFAOYSA-N 0 1 247.342 2.058 20 0 BEADMN Cc1oncc1CN1CC[C@H](OCC(C)C)C1 ZINC000128902314 323007781 /nfs/dbraw/zinc/00/77/81/323007781.db2.gz CPRUVYXYSTYZFD-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@@H](N(C)C(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000562255627 323013910 /nfs/dbraw/zinc/01/39/10/323013910.db2.gz XLXXFGQHJIFBBB-SNVBAGLBSA-N 0 1 237.347 2.235 20 0 BEADMN OCc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000400262005 323015699 /nfs/dbraw/zinc/01/56/99/323015699.db2.gz ZGBWGPLPXCCIQH-LLVKDONJSA-N 0 1 221.300 2.004 20 0 BEADMN CCCCN(CC)[C@H](C)c1nccc(N)n1 ZINC000562444387 323020127 /nfs/dbraw/zinc/02/01/27/323020127.db2.gz PUFQVAHVDXDKOG-SNVBAGLBSA-N 0 1 222.336 2.072 20 0 BEADMN Cc1ccc(SCCc2c[nH]nn2)cc1 ZINC000562474220 323021311 /nfs/dbraw/zinc/02/13/11/323021311.db2.gz AHHIJTNZAMGYLG-UHFFFAOYSA-N 0 1 219.313 2.448 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000562657566 323026726 /nfs/dbraw/zinc/02/67/26/323026726.db2.gz GHYUTOFXLWGZPR-YGRLFVJLSA-N 0 1 249.358 2.238 20 0 BEADMN COCC[C@@H](C)CNc1nc(C(C)C)ns1 ZINC000562723364 323029128 /nfs/dbraw/zinc/02/91/28/323029128.db2.gz LWJIRRQANWUQES-SECBINFHSA-N 0 1 243.376 2.168 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000562742284 323029745 /nfs/dbraw/zinc/02/97/45/323029745.db2.gz QRJKKRGZUAJOCW-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN CCc1nsc(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403808183 323029854 /nfs/dbraw/zinc/02/98/54/323029854.db2.gz HGLAKTATFILZOS-KXUCPTDWSA-N 0 1 237.372 2.371 20 0 BEADMN C[C@@H](CC(F)F)c1nc(C2(N)CCC2)no1 ZINC000572601608 323035626 /nfs/dbraw/zinc/03/56/26/323035626.db2.gz VHJUBNBAVRCCHZ-LURJTMIESA-N 0 1 231.246 2.166 20 0 BEADMN CC[N@@H+](CCc1ccccc1)CC1(C(=O)[O-])CC1 ZINC000569934990 323044802 /nfs/dbraw/zinc/04/48/02/323044802.db2.gz VDOKIBSYGVUKSX-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN C[C@H]1c2ccccc2CC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000569981581 323046454 /nfs/dbraw/zinc/04/64/54/323046454.db2.gz KBBPBOHPUUGZAE-NSHDSACASA-N 0 1 245.322 2.471 20 0 BEADMN CC(C)(C)/C=C\c1nc(C2(N)CCC2)no1 ZINC000570043722 323048321 /nfs/dbraw/zinc/04/83/21/323048321.db2.gz WUAGAQUPQVCJMC-YVMONPNESA-N 0 1 221.304 2.467 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2ncccc2[O-])[C@H]1C ZINC000570365319 323057521 /nfs/dbraw/zinc/05/75/21/323057521.db2.gz HJAMWXWHPANCSR-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ncccc2[O-])[C@H]1C ZINC000570365319 323057522 /nfs/dbraw/zinc/05/75/22/323057522.db2.gz HJAMWXWHPANCSR-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H](F)C1 ZINC000570405717 323058989 /nfs/dbraw/zinc/05/89/89/323058989.db2.gz RBOJSXBXQLBUSF-JTQLQIEISA-N 0 1 247.273 2.137 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@]1(C)CC=CCC1 ZINC000570460353 323060393 /nfs/dbraw/zinc/06/03/93/323060393.db2.gz SEHBLGVHILZSQL-SMDDNHRTSA-N 0 1 247.342 2.203 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCCCC(C)(C)C1 ZINC000570525431 323062054 /nfs/dbraw/zinc/06/20/54/323062054.db2.gz NGEOUXGLECNQFC-NSHDSACASA-N 0 1 248.374 2.462 20 0 BEADMN CCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC000570526484 323062184 /nfs/dbraw/zinc/06/21/84/323062184.db2.gz JICRJBJJQNUSLV-NSHDSACASA-N 0 1 249.358 2.379 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cnn(C(C)C)c1 ZINC000570769737 323069785 /nfs/dbraw/zinc/06/97/85/323069785.db2.gz CYZWJJSQKJIAJX-CYZMBNFOSA-N 0 1 237.347 2.292 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000570808097 323071328 /nfs/dbraw/zinc/07/13/28/323071328.db2.gz BPFIADGTJGWDIC-ZYHUDNBSSA-N 0 1 236.315 2.185 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C(C)C)CC1 ZINC000173863483 323073873 /nfs/dbraw/zinc/07/38/73/323073873.db2.gz HQSJMLROYBSHLX-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)CCc1ccccc1NC(=O)CN ZINC000570928456 323074527 /nfs/dbraw/zinc/07/45/27/323074527.db2.gz FGDYSCXBVCXKPF-UHFFFAOYSA-N 0 1 220.316 2.172 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2C)C[C@H](C)O1 ZINC000563045551 323082091 /nfs/dbraw/zinc/08/20/91/323082091.db2.gz XGBQGOVPPFPZTP-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN CSC[C@H]1CCCN(Cc2cnccn2)C1 ZINC000563117838 323093652 /nfs/dbraw/zinc/09/36/52/323093652.db2.gz KRWHDLDAOWLBFM-NSHDSACASA-N 0 1 237.372 2.052 20 0 BEADMN CCc1ncc(C[N@@H+](C)C(C)(C)C)cn1 ZINC000563157778 323096550 /nfs/dbraw/zinc/09/65/50/323096550.db2.gz LBDFGFYMPLHOTR-UHFFFAOYSA-N 0 1 207.321 2.269 20 0 BEADMN C[C@H](Nc1nc2cc(F)ccc2o1)c1nnc[nH]1 ZINC000182818806 323097257 /nfs/dbraw/zinc/09/72/57/323097257.db2.gz WNTNFPIPWSTMFQ-LURJTMIESA-N 0 1 247.233 2.258 20 0 BEADMN CCCc1noc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000571024259 323104058 /nfs/dbraw/zinc/10/40/58/323104058.db2.gz JOMAGKKRRCAOTK-OUAUKWLOSA-N 0 1 235.331 2.300 20 0 BEADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000563279120 323107928 /nfs/dbraw/zinc/10/79/28/323107928.db2.gz OYFASKRLHNTSDD-UHFFFAOYSA-N 0 1 234.299 2.153 20 0 BEADMN CCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563282258 323108184 /nfs/dbraw/zinc/10/81/84/323108184.db2.gz GPFMDTSSSALOPT-GFCCVEGCSA-N 0 1 221.300 2.024 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@H](C)C2)c(C)n1C ZINC000040719091 323110015 /nfs/dbraw/zinc/11/00/15/323110015.db2.gz XPFKUWQPNZCFFL-JTQLQIEISA-N 0 1 234.343 2.166 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@@H](C)C2)c(C)n1C ZINC000040719092 323110035 /nfs/dbraw/zinc/11/00/35/323110035.db2.gz XPFKUWQPNZCFFL-SNVBAGLBSA-N 0 1 234.343 2.166 20 0 BEADMN CC[C@@H]1CN(Cc2ccc3nc[nH]c3c2)CCO1 ZINC000534333377 323116627 /nfs/dbraw/zinc/11/66/27/323116627.db2.gz RFWQFETVYFXCEK-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1nc([C@H](C)Sc2nc3c([nH]2)CCC3)n[nH]1 ZINC000563309585 323118774 /nfs/dbraw/zinc/11/87/74/323118774.db2.gz ZEDCDOWGDAMWBN-LURJTMIESA-N 0 1 249.343 2.178 20 0 BEADMN COCCN(Cc1c(C)nsc1C)C1CC1 ZINC000563353279 323120361 /nfs/dbraw/zinc/12/03/61/323120361.db2.gz CBXQGDMAHFJAIZ-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN CC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563454101 323127064 /nfs/dbraw/zinc/12/70/64/323127064.db2.gz IPWJJHJDOXNHRU-NWDGAFQWSA-N 0 1 219.284 2.297 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543383 323129611 /nfs/dbraw/zinc/12/96/11/323129611.db2.gz USAMEFCIDVJQSF-SCZZXKLOSA-N 0 1 225.313 2.216 20 0 BEADMN C[C@@H]([N@H+](C)Cc1ncccc1[O-])C1(C)CC1 ZINC000571329001 323141549 /nfs/dbraw/zinc/14/15/49/323141549.db2.gz WAGPNGNDTILNFD-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1ncccc1[O-])C1(C)CC1 ZINC000571329001 323141550 /nfs/dbraw/zinc/14/15/50/323141550.db2.gz WAGPNGNDTILNFD-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1nc(CNCCSC(C)C)[nH]c1C ZINC000571345994 323142145 /nfs/dbraw/zinc/14/21/45/323142145.db2.gz WGCPRGPACPJXPI-UHFFFAOYSA-N 0 1 227.377 2.258 20 0 BEADMN CCC[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000571410617 323144111 /nfs/dbraw/zinc/14/41/11/323144111.db2.gz VAUVFLHXYVNTQB-UHFFFAOYSA-N 0 1 213.302 2.288 20 0 BEADMN CCc1ccccc1CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000571570166 323148213 /nfs/dbraw/zinc/14/82/13/323148213.db2.gz ACTWRHKHYKPEGM-GFCCVEGCSA-N 0 1 249.354 2.444 20 0 BEADMN C[C@H](NC[C@@H]1CCCC[C@H]1C)c1ncn(C)n1 ZINC000394887042 323152669 /nfs/dbraw/zinc/15/26/69/323152669.db2.gz RMWDFBOHTCCSEN-WOPDTQHZSA-N 0 1 236.363 2.292 20 0 BEADMN CCC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000048596313 323154618 /nfs/dbraw/zinc/15/46/18/323154618.db2.gz JLVUTLNFAXXIKW-CQSZACIVSA-N 0 1 246.354 2.335 20 0 BEADMN CC[C@H](C)[C@H](C)N(Cc1nncn1C)C1CC1 ZINC000111226705 323158148 /nfs/dbraw/zinc/15/81/48/323158148.db2.gz BPUZLBQTJPSGKR-QWRGUYRKSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@H](N(C)c1ncnc2[nH]cnc21)C(C)(C)C ZINC000049236379 323159297 /nfs/dbraw/zinc/15/92/97/323159297.db2.gz YDFXUORCYKLTHM-QMMMGPOBSA-N 0 1 233.319 2.224 20 0 BEADMN CC(C)CN(C)[C@@H](C)C(=O)Nc1nccs1 ZINC000049442309 323160619 /nfs/dbraw/zinc/16/06/19/323160619.db2.gz VIZVUGWEUDQLQG-VIFPVBQESA-N 0 1 241.360 2.058 20 0 BEADMN CCN(Cc1nccn1CC)CC1CC1 ZINC000070013529 323161330 /nfs/dbraw/zinc/16/13/30/323161330.db2.gz SJHGOCNERWVDBT-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1csc(CN2CCC[C@@H]([C@H](C)O)C2)n1 ZINC000305619835 323170657 /nfs/dbraw/zinc/17/06/57/323170657.db2.gz HCAFDYXWIDCCFV-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000308795468 323178230 /nfs/dbraw/zinc/17/82/30/323178230.db2.gz KBKYAULJIFYULI-SNVBAGLBSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](CCCC(=O)[O-])CCO2 ZINC000563866156 323181724 /nfs/dbraw/zinc/18/17/24/323181724.db2.gz KUKSTTFLTSECBP-UHFFFAOYSA-N 0 1 249.310 2.054 20 0 BEADMN Cc1nccc(N[C@H](C)CCCCO)c1Cl ZINC000398384562 323185461 /nfs/dbraw/zinc/18/54/61/323185461.db2.gz AVNULUYNGYSHPP-SECBINFHSA-N 0 1 242.750 2.428 20 0 BEADMN CC[C@@H](NCc1csnn1)[C@@H]1CC1(C)C ZINC000398398419 323185528 /nfs/dbraw/zinc/18/55/28/323185528.db2.gz VJZMEQIPAFCNTJ-VHSXEESVSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1O ZINC000094122521 323187931 /nfs/dbraw/zinc/18/79/31/323187931.db2.gz FCBHDRVDKNLTEA-GZMMTYOYSA-N 0 1 237.274 2.450 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CCCC(C)(C)C1 ZINC000535784347 323191126 /nfs/dbraw/zinc/19/11/26/323191126.db2.gz FAODOVBSQMXJHB-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1ccc2nc(C[N@H+](C)C3CC3)cn2c1 ZINC000051902313 323191925 /nfs/dbraw/zinc/19/19/25/323191925.db2.gz IZMXKJMWDVQWMQ-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN Cc1ccc2nc(CN(C)C3CC3)cn2c1 ZINC000051902313 323191926 /nfs/dbraw/zinc/19/19/26/323191926.db2.gz IZMXKJMWDVQWMQ-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN Cc1nnc(CN(C)C2CCCCCC2)n1C ZINC000052331385 323192807 /nfs/dbraw/zinc/19/28/07/323192807.db2.gz FETAEZLFTANMCI-UHFFFAOYSA-N 0 1 236.363 2.278 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054300058 323204108 /nfs/dbraw/zinc/20/41/08/323204108.db2.gz CITNMOVTDWOJPT-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN CCc1cnc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000532313010 323216140 /nfs/dbraw/zinc/21/61/40/323216140.db2.gz CLSVLZFWIHPXLS-GHMZBOCLSA-N 0 1 220.316 2.469 20 0 BEADMN COCCC[C@H](C)N[C@@H](C)C(C)(F)F ZINC000395392152 323225552 /nfs/dbraw/zinc/22/55/52/323225552.db2.gz ALDCUBKCOJJYBZ-IUCAKERBSA-N 0 1 209.280 2.435 20 0 BEADMN CCC[C@@H](N[C@H](C(=O)OC)C1CC1)C1CCC1 ZINC000324710261 323268353 /nfs/dbraw/zinc/26/83/53/323268353.db2.gz BBGPFAXPPNANCE-OLZOCXBDSA-N 0 1 239.359 2.496 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC000532475592 323269723 /nfs/dbraw/zinc/26/97/23/323269723.db2.gz NLUUAJIXACCUGQ-OXHZDVMGSA-N 0 1 248.370 2.443 20 0 BEADMN CC[C@H](C)N(C)Cc1ccoc1C(=O)OC ZINC000104686735 323286030 /nfs/dbraw/zinc/28/60/30/323286030.db2.gz NBPQXMKHBPCQNN-VIFPVBQESA-N 0 1 225.288 2.297 20 0 BEADMN c1cc(CN2CC[C@H]2Cc2ccccc2)on1 ZINC000532647185 323286382 /nfs/dbraw/zinc/28/63/82/323286382.db2.gz BTICMSOJBJKVBL-ZDUSSCGKSA-N 0 1 228.295 2.492 20 0 BEADMN CC(C)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000514617155 323326876 /nfs/dbraw/zinc/32/68/76/323326876.db2.gz SRWKRIMYYVHSLB-JTQLQIEISA-N 0 1 213.321 2.360 20 0 BEADMN Cc1ccc(CNC(=O)CN2[C@H](C)C[C@@H]2C)cc1 ZINC000547770496 323345126 /nfs/dbraw/zinc/34/51/26/323345126.db2.gz IKXVZWMBEHXHPX-BETUJISGSA-N 0 1 246.354 2.094 20 0 BEADMN Cc1occc1CN[C@H](C)c1cn[nH]c1 ZINC000321108986 323376785 /nfs/dbraw/zinc/37/67/85/323376785.db2.gz UJEOLGCAYPAZIG-MRVPVSSYSA-N 0 1 205.261 2.162 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](O)C1)c1cscn1 ZINC000218259183 324077579 /nfs/dbraw/zinc/07/75/79/324077579.db2.gz ZSELVWXDCJSKJB-GARJFASQSA-N 0 1 240.372 2.345 20 0 BEADMN CC[C@H](NCc1cnn(C)c1C)c1ccncc1 ZINC000162877161 324131095 /nfs/dbraw/zinc/13/10/95/324131095.db2.gz BHFCGNGAZXTILN-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN C[C@H](NCc1cocn1)C1CC(F)(F)C1 ZINC000529546042 324335879 /nfs/dbraw/zinc/33/58/79/324335879.db2.gz DJSJBWJVEASBKC-ZETCQYMHSA-N 0 1 216.231 2.198 20 0 BEADMN Cn1ccc(CN2CC(Cc3ccco3)C2)c1 ZINC000529649990 324371167 /nfs/dbraw/zinc/37/11/67/324371167.db2.gz UZCBAVZFZOMDKA-UHFFFAOYSA-N 0 1 230.311 2.293 20 0 BEADMN Cc1ncc(CNC[C@@H]2CC[N@H+]2C2CCCC2)o1 ZINC000529669761 324375008 /nfs/dbraw/zinc/37/50/08/324375008.db2.gz PDECFCPCILIDJX-ZDUSSCGKSA-N 0 1 249.358 2.090 20 0 BEADMN c1ccc([C@H](NC2CC2)c2cncnc2)cc1 ZINC000542670509 325040122 /nfs/dbraw/zinc/04/01/22/325040122.db2.gz LEUJQXFFCNCDEZ-AWEZNQCLSA-N 0 1 225.295 2.318 20 0 BEADMN C[C@H](NCc1ccc2nc[nH]c2c1)c1ccon1 ZINC000542708522 325043090 /nfs/dbraw/zinc/04/30/90/325043090.db2.gz BVJUQGDAZOOJLY-VIFPVBQESA-N 0 1 242.282 2.402 20 0 BEADMN CC1CCC(N(C)Cc2nccn2C)CC1 ZINC000071121834 325056760 /nfs/dbraw/zinc/05/67/60/325056760.db2.gz VKGBCTLPSSMIHM-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN CC[C@H]1CO[C@H](C)C[N@H+]1CCCCCC(=O)[O-] ZINC000071286362 325066525 /nfs/dbraw/zinc/06/65/25/325066525.db2.gz PRIKVAYLWAEIGR-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCCCOCCN[C@H](CC)c1ccn(C)n1 ZINC000543595915 325095875 /nfs/dbraw/zinc/09/58/75/325095875.db2.gz PHOIDTCWPJXGBA-GFCCVEGCSA-N 0 1 239.363 2.278 20 0 BEADMN CC[C@@]1(C)CN([C@@H]2COC(C)(C)C2)CCO1 ZINC000660381017 487967148 /nfs/dbraw/zinc/96/71/48/487967148.db2.gz QWVHOZCNQVYNMA-AAEUAGOBSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cnc(CN[C@@H](CO)C2CCCCC2)o1 ZINC000543841077 325116669 /nfs/dbraw/zinc/11/66/69/325116669.db2.gz YXENDRYADRPHMM-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN COc1ccccc1[C@H](CO)N[C@H]1C=CCCC1 ZINC000543840575 325116784 /nfs/dbraw/zinc/11/67/84/325116784.db2.gz WEIZTMHMSMUALA-JSGCOSHPSA-N 0 1 247.338 2.427 20 0 BEADMN Cc1nnc([C@H](C)NCCCc2ccncc2)o1 ZINC000545194613 325188160 /nfs/dbraw/zinc/18/81/60/325188160.db2.gz SPHBBADAFYVDDO-JTQLQIEISA-N 0 1 246.314 2.056 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)OC(C)(C)C ZINC000073873179 325215088 /nfs/dbraw/zinc/21/50/88/325215088.db2.gz XKEPXADHRGGGBV-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCOCCN(C)Cc1cccnc1 ZINC000132634415 325231523 /nfs/dbraw/zinc/23/15/23/325231523.db2.gz TXFSHPCDWCBYMW-UHFFFAOYSA-N 0 1 222.332 2.330 20 0 BEADMN Cc1nc(CC[N@H+](C)[C@@H]2CCSC2)cs1 ZINC000133130351 325270503 /nfs/dbraw/zinc/27/05/03/325270503.db2.gz KQDTYUADZMKXHG-LLVKDONJSA-N 0 1 242.413 2.431 20 0 BEADMN C[C@@H]1CN(c2ccncc2C(N)=O)CC(C)(C)C1 ZINC000546582822 325288426 /nfs/dbraw/zinc/28/84/26/325288426.db2.gz AHCJESZZWYSLDQ-JTQLQIEISA-N 0 1 247.342 2.053 20 0 BEADMN Cc1cccnc1CNC(C)(C)c1cnn(C)c1 ZINC000546705072 325303276 /nfs/dbraw/zinc/30/32/76/325303276.db2.gz ISCKFRISUBMPIW-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN C[C@H](O)CCN(C)Cc1nc2ccccc2o1 ZINC000075778258 325311939 /nfs/dbraw/zinc/31/19/39/325311939.db2.gz DEADXNZHKXKHJT-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000075842729 325317322 /nfs/dbraw/zinc/31/73/22/325317322.db2.gz QSWRCIPLJZVHOO-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1cnc(CN[C@@H](CCO)C(C)(C)C)o1 ZINC000546933028 325318953 /nfs/dbraw/zinc/31/89/53/325318953.db2.gz XRPYMXPNYXXWOJ-NSHDSACASA-N 0 1 240.347 2.124 20 0 BEADMN Cc1ccc(CNCc2ccn(C)c2)nc1 ZINC000134386971 325356475 /nfs/dbraw/zinc/35/64/75/325356475.db2.gz CVXNWVXXFHKESO-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN Cc1cnc(CCNc2cccc(C)n2)nc1 ZINC000547464591 325358983 /nfs/dbraw/zinc/35/89/83/325358983.db2.gz MXRUPVZTXNNMAG-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)c1n[nH]c2ccccc21 ZINC000134653511 325370319 /nfs/dbraw/zinc/37/03/19/325370319.db2.gz REYYHDSEWWDYEJ-SNVBAGLBSA-N 0 1 241.294 2.401 20 0 BEADMN C[C@@H]1C[C@H](C)N1CCOCC(F)(F)C(F)F ZINC000547770073 325395733 /nfs/dbraw/zinc/39/57/33/325395733.db2.gz DFPRYXLJQPTEKT-OCAPTIKFSA-N 0 1 243.244 2.386 20 0 BEADMN C[C@@H](C(=O)N1CCC(C)CC1)N1[C@@H](C)C[C@@H]1C ZINC000547768528 325394347 /nfs/dbraw/zinc/39/43/47/325394347.db2.gz VUVGPEZTFVDGQQ-AVGNSLFASA-N 0 1 238.375 2.116 20 0 BEADMN C[C@H](C(=O)NCc1ccccc1)N1[C@H](C)C[C@H]1C ZINC000547770597 325395542 /nfs/dbraw/zinc/39/55/42/325395542.db2.gz VLFKKJNOMSLQQI-JHJVBQTASA-N 0 1 246.354 2.174 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)CN1CCC(C)CC1 ZINC000136260807 325448452 /nfs/dbraw/zinc/44/84/52/325448452.db2.gz OADXLZKWPIKNKL-CHWSQXEVSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)c1cc(CN2[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000548424430 325455973 /nfs/dbraw/zinc/45/59/73/325455973.db2.gz HFIWQUKDNHUAKF-IUCAKERBSA-N 0 1 237.299 2.357 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC000083934873 487967925 /nfs/dbraw/zinc/96/79/25/487967925.db2.gz QNXIUWZNPLEVLT-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN FCCCCN1CCN(c2nccs2)CC1 ZINC000552083324 325594701 /nfs/dbraw/zinc/59/47/01/325594701.db2.gz JZBIPKVMSVQWGB-UHFFFAOYSA-N 0 1 243.351 2.015 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](COC)c1ccccc1 ZINC000554373499 325716526 /nfs/dbraw/zinc/71/65/26/325716526.db2.gz HSPVVFCITFDWTM-HZSPNIEDSA-N 0 1 235.327 2.141 20 0 BEADMN C[C@H](CC(F)(F)F)c1nc(C2(N)CCC2)no1 ZINC000564959706 325834751 /nfs/dbraw/zinc/83/47/51/325834751.db2.gz RKCWVDNVTZJIOB-ZCFIWIBFSA-N 0 1 249.236 2.463 20 0 BEADMN CC(C)C1CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000677116638 487970861 /nfs/dbraw/zinc/97/08/61/487970861.db2.gz CSFRGUPZSNPNEP-UHFFFAOYSA-N 0 1 243.310 2.291 20 0 BEADMN CN(C)c1ncc(CNC2(CF)CCC2)s1 ZINC000565362749 325901219 /nfs/dbraw/zinc/90/12/19/325901219.db2.gz MYFANKUMNIXRNB-UHFFFAOYSA-N 0 1 243.351 2.191 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2C)CCO1 ZINC000566168095 326006074 /nfs/dbraw/zinc/00/60/74/326006074.db2.gz ZGMCGDIHDAHXJI-CQSZACIVSA-N 0 1 234.343 2.043 20 0 BEADMN CC[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000566358327 326036712 /nfs/dbraw/zinc/03/67/12/326036712.db2.gz HQJVNRFOTMSDRH-UHFFFAOYSA-N 0 1 233.311 2.412 20 0 BEADMN O=C([O-])C1(C[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000566361443 326037029 /nfs/dbraw/zinc/03/70/29/326037029.db2.gz JYCTXWNBRGBPMT-UHFFFAOYSA-N 0 1 249.232 2.046 20 0 BEADMN CC1=C[C@@H](C)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000566457462 326050616 /nfs/dbraw/zinc/05/06/16/326050616.db2.gz JGNAJGKHFDHAMI-PWSUYJOCSA-N 0 1 247.342 2.013 20 0 BEADMN COc1cc(CN2[C@H](C)C[C@@H]2C)cc2c1OCO2 ZINC000566720928 326076923 /nfs/dbraw/zinc/07/69/23/326076923.db2.gz YVKAUXRJJXYQIF-AOOOYVTPSA-N 0 1 249.310 2.407 20 0 BEADMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000566860251 326089462 /nfs/dbraw/zinc/08/94/62/326089462.db2.gz ISRJIPXGQZCSIW-DGCLKSJQSA-N 0 1 248.326 2.329 20 0 BEADMN CCCCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000566973080 326095668 /nfs/dbraw/zinc/09/56/68/326095668.db2.gz OVXHLQXTXKAWIG-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153983689 326123380 /nfs/dbraw/zinc/12/33/80/326123380.db2.gz GUAAVOGGWLEAID-TVQRCGJNSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C1CCCCC1 ZINC000155286641 326191345 /nfs/dbraw/zinc/19/13/45/326191345.db2.gz SLWRVRMHPIBDEG-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN O=C([O-])C[N@@H+](CCCCCF)C1CCC1 ZINC000567486190 326202750 /nfs/dbraw/zinc/20/27/50/326202750.db2.gz AQIVZTQIZNZSOF-UHFFFAOYSA-N 0 1 217.284 2.065 20 0 BEADMN COc1ccnc(CN[C@H]2CC=C(C)CC2)n1 ZINC000567494982 326204157 /nfs/dbraw/zinc/20/41/57/326204157.db2.gz URYDAFGJMNJNML-NSHDSACASA-N 0 1 233.315 2.074 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)c1ccn[nH]1 ZINC000155666054 326205916 /nfs/dbraw/zinc/20/59/16/326205916.db2.gz OBXQJDMOBWIJAQ-JTQLQIEISA-N 0 1 221.304 2.205 20 0 BEADMN CCOC(=O)CCCCCSc1cn[nH]n1 ZINC000155868376 326213612 /nfs/dbraw/zinc/21/36/12/326213612.db2.gz XIJOGCIJEWOZCM-UHFFFAOYSA-N 0 1 243.332 2.020 20 0 BEADMN Cc1nc(CN(C)CC2CCOCC2)oc1C ZINC000156183354 326221361 /nfs/dbraw/zinc/22/13/61/326221361.db2.gz AULHMJCOWZWFTI-UHFFFAOYSA-N 0 1 238.331 2.150 20 0 BEADMN CC[C@H](C)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000567628332 326232926 /nfs/dbraw/zinc/23/29/26/326232926.db2.gz PTDAFIJYMXEVIG-UWVGGRQHSA-N 0 1 213.321 2.360 20 0 BEADMN CO[C@@H](CSc1nc(C2CC2)n[nH]1)C1CC1 ZINC000567732847 326252859 /nfs/dbraw/zinc/25/28/59/326252859.db2.gz ZZPNAJLVXPXBBQ-VIFPVBQESA-N 0 1 239.344 2.199 20 0 BEADMN CO[C@@H](CSc1n[nH]c(C2CC2)n1)C1CC1 ZINC000567732847 326252860 /nfs/dbraw/zinc/25/28/60/326252860.db2.gz ZZPNAJLVXPXBBQ-VIFPVBQESA-N 0 1 239.344 2.199 20 0 BEADMN CO[C@H](CSc1nc(C2CC2)n[nH]1)C1CC1 ZINC000567732846 326252905 /nfs/dbraw/zinc/25/29/05/326252905.db2.gz ZZPNAJLVXPXBBQ-SECBINFHSA-N 0 1 239.344 2.199 20 0 BEADMN CO[C@H](CSc1n[nH]c(C2CC2)n1)C1CC1 ZINC000567732846 326252907 /nfs/dbraw/zinc/25/29/07/326252907.db2.gz ZZPNAJLVXPXBBQ-SECBINFHSA-N 0 1 239.344 2.199 20 0 BEADMN CC[C@@H]1COCCN1CCc1ncc(C)cc1C ZINC000567761974 326256261 /nfs/dbraw/zinc/25/62/61/326256261.db2.gz UNCFJPQVOYHZKQ-CQSZACIVSA-N 0 1 248.370 2.352 20 0 BEADMN Cc1csc(NC(=O)CN(C)C(C)(C)C)n1 ZINC000567810650 326259604 /nfs/dbraw/zinc/25/96/04/326259604.db2.gz AXLQUGWRGMZSHF-UHFFFAOYSA-N 0 1 241.360 2.120 20 0 BEADMN CCCC1(CNC(=O)[C@@H]2CCCN2C)CCC1 ZINC000157291117 326265941 /nfs/dbraw/zinc/26/59/41/326265941.db2.gz WXESCAAQFOCGRL-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1C[C@H](NCCOCC2CCC2)c2nccn21 ZINC000567846245 326269134 /nfs/dbraw/zinc/26/91/34/326269134.db2.gz JWQAIAOWNUUOEC-AAEUAGOBSA-N 0 1 249.358 2.295 20 0 BEADMN Cc1ccoc1CNc1ccc2nn[nH]c2c1 ZINC000157559345 326282872 /nfs/dbraw/zinc/28/28/72/326282872.db2.gz RRCWEQFDSQQXNJ-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1ccoc1CNc1ccc2n[nH]nc2c1 ZINC000157559345 326282875 /nfs/dbraw/zinc/28/28/75/326282875.db2.gz RRCWEQFDSQQXNJ-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1O ZINC000157826415 326297419 /nfs/dbraw/zinc/29/74/19/326297419.db2.gz KMXAKNFHRUDCKC-PHIMTYICSA-N 0 1 248.326 2.204 20 0 BEADMN CN(CCc1ccccc1O)Cc1ccno1 ZINC000568133508 326311747 /nfs/dbraw/zinc/31/17/47/326311747.db2.gz BOIUVDJGSXOULN-UHFFFAOYSA-N 0 1 232.283 2.055 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC[C@H](C)C(C)(C)C1 ZINC000568168197 326318646 /nfs/dbraw/zinc/31/86/46/326318646.db2.gz ZTHGGIUHFJNYSC-WDEREUQCSA-N 0 1 248.374 2.318 20 0 BEADMN Cc1nsc(C)c1CN1CCCO[C@@H](C)C1 ZINC000568169882 326319336 /nfs/dbraw/zinc/31/93/36/326319336.db2.gz WXLMTIWZAOZISJ-VIFPVBQESA-N 0 1 240.372 2.371 20 0 BEADMN CCC1(CC)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000568213765 326327146 /nfs/dbraw/zinc/32/71/46/326327146.db2.gz HHVYJNIMEKKZAJ-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000158933528 326346065 /nfs/dbraw/zinc/34/60/65/326346065.db2.gz VNBHMSCBKTZOPP-VIFPVBQESA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CCC(F)(F)F ZINC000568402337 326355042 /nfs/dbraw/zinc/35/50/42/326355042.db2.gz CHPDWPZTJYHKNB-UHFFFAOYSA-N 0 1 241.253 2.372 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC12CCC(CC1)C2 ZINC000568641093 326370414 /nfs/dbraw/zinc/37/04/14/326370414.db2.gz CNQFTIHBRGMZDS-WDBLDGLGSA-N 0 1 237.343 2.362 20 0 BEADMN O=C(NC1CC1)c1cccc(C(F)(F)F)c1O ZINC000568644422 326370509 /nfs/dbraw/zinc/37/05/09/326370509.db2.gz INRGGYMMEHOCJJ-UHFFFAOYSA-N 0 1 245.200 2.303 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccncc1 ZINC000159307525 326395639 /nfs/dbraw/zinc/39/56/39/326395639.db2.gz UQQMCGGVPSNFGA-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN COc1ccc(F)c(CN[C@@H]2CO[C@@H](C)C2)c1 ZINC000572720951 326406996 /nfs/dbraw/zinc/40/69/96/326406996.db2.gz HWFFXVJOEDNWEZ-ONGXEEELSA-N 0 1 239.290 2.101 20 0 BEADMN COc1cc(C)ccc1CNCc1cn[nH]c1 ZINC000675101052 487975621 /nfs/dbraw/zinc/97/56/21/487975621.db2.gz ABVACFKZCJXHAA-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN CCCCCNCc1ncnn1C(C)C ZINC000083977311 487977829 /nfs/dbraw/zinc/97/78/29/487977829.db2.gz ILZWNVAVZVWONM-UHFFFAOYSA-N 0 1 210.325 2.139 20 0 BEADMN CCc1csc(N2CCN(CC)[C@H](C)C2)n1 ZINC000677153187 487983766 /nfs/dbraw/zinc/98/37/66/487983766.db2.gz MUQFOCPVTPXIRF-SNVBAGLBSA-N 0 1 239.388 2.236 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)C2(N(C)C)CC2)cc1 ZINC000666042609 487997557 /nfs/dbraw/zinc/99/75/57/487997557.db2.gz DJUAYHAJDASCMU-GFCCVEGCSA-N 0 1 246.354 2.266 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667423584 488001014 /nfs/dbraw/zinc/00/10/14/488001014.db2.gz QHIMPFSONRYPBS-GHMZBOCLSA-N 0 1 249.358 2.210 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1cscc1Cl ZINC000682645074 488005528 /nfs/dbraw/zinc/00/55/28/488005528.db2.gz UVAUHJRPDQJRLO-APPZFPTMSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1cscc1Cl ZINC000682645077 488005645 /nfs/dbraw/zinc/00/56/45/488005645.db2.gz UVAUHJRPDQJRLO-CBAPKCEASA-N 0 1 231.748 2.357 20 0 BEADMN CCC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000135031163 488011368 /nfs/dbraw/zinc/01/13/68/488011368.db2.gz IDNQPMQBATUCAA-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN NCc1nccn1CCCCc1ccccc1 ZINC000135079201 488013261 /nfs/dbraw/zinc/01/32/61/488013261.db2.gz PSVAVTGRLPQERO-UHFFFAOYSA-N 0 1 229.327 2.365 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(CC2CC2)CC1 ZINC000682694346 488020603 /nfs/dbraw/zinc/02/06/03/488020603.db2.gz DVQCKTOKAMVJSS-PQMHYQBVSA-N 0 1 248.370 2.063 20 0 BEADMN CC(=O)c1sc([C@@H]2CCCCN2)nc1C ZINC000084149834 488026408 /nfs/dbraw/zinc/02/64/08/488026408.db2.gz NJVKOVLBMHAZNY-VIFPVBQESA-N 0 1 224.329 2.469 20 0 BEADMN CCCn1nccc1CN(CC)C1CC1 ZINC000667501314 488032099 /nfs/dbraw/zinc/03/20/99/488032099.db2.gz UORCTFUMIZVVJY-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CN(Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000667504392 488033208 /nfs/dbraw/zinc/03/32/08/488033208.db2.gz QQMNINDOFVPCNB-UHFFFAOYSA-N 0 1 219.332 2.282 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cn(C2CCC2)nn1 ZINC000667530387 488039327 /nfs/dbraw/zinc/03/93/27/488039327.db2.gz XUMIOAQEEJYCSZ-LLVKDONJSA-N 0 1 236.363 2.481 20 0 BEADMN CCc1cc(NC(=O)c2c[nH]nc2C2CC2)no1 ZINC000682808017 488043566 /nfs/dbraw/zinc/04/35/66/488043566.db2.gz YFWMZWIVIMUGBP-UHFFFAOYSA-N 0 1 246.270 2.090 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667553812 488044015 /nfs/dbraw/zinc/04/40/15/488044015.db2.gz AIOXIJTVJLBOCT-LBPRGKRZSA-N 0 1 242.326 2.109 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@H](C)C2)n1C ZINC000667559557 488046376 /nfs/dbraw/zinc/04/63/76/488046376.db2.gz AVNLDNSLCFFNKX-NXEZZACHSA-N 0 1 239.388 2.054 20 0 BEADMN CC[N@@H+](CCc1ccnn1C)Cc1ccoc1 ZINC000670073843 488047429 /nfs/dbraw/zinc/04/74/29/488047429.db2.gz AMKQUQOVSLXHGD-UHFFFAOYSA-N 0 1 233.315 2.078 20 0 BEADMN CCN(C(=O)c1cnc(C)[nH]1)[C@H](C)C(C)C ZINC000647743766 488053954 /nfs/dbraw/zinc/05/39/54/488053954.db2.gz VSPQEZBFKKYGLI-SECBINFHSA-N 0 1 223.320 2.225 20 0 BEADMN CO[C@H](C)CN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000672337921 488065231 /nfs/dbraw/zinc/06/52/31/488065231.db2.gz QNIAOHROKNRBDS-SNVBAGLBSA-N 0 1 246.310 2.412 20 0 BEADMN c1c(CN2C[C@@H]3CCC[C@H]3C2)nnn1C1CCC1 ZINC000667643284 488067930 /nfs/dbraw/zinc/06/79/30/488067930.db2.gz ZVWUSCFVXJTVII-RYUDHWBXSA-N 0 1 246.358 2.235 20 0 BEADMN C[N@H+](Cc1ccnn1-c1ccncc1)C1CCC1 ZINC000667646741 488070465 /nfs/dbraw/zinc/07/04/65/488070465.db2.gz BGQBWNPDKXOJOR-UHFFFAOYSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cn(C3CCC3)nn2)C[C@H]1C ZINC000667650432 488072324 /nfs/dbraw/zinc/07/23/24/488072324.db2.gz XNSUPPGYCBUDFX-PHIMTYICSA-N 0 1 234.347 2.091 20 0 BEADMN C[C@H]1CN(Cc2cn(C3CCC3)nn2)C[C@H]1C ZINC000667650432 488072330 /nfs/dbraw/zinc/07/23/30/488072330.db2.gz XNSUPPGYCBUDFX-PHIMTYICSA-N 0 1 234.347 2.091 20 0 BEADMN CCCn1nccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000667649968 488072373 /nfs/dbraw/zinc/07/23/73/488072373.db2.gz HXUFZTFHKSIUOE-TXEJJXNPSA-N 0 1 221.348 2.381 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000670084627 488072730 /nfs/dbraw/zinc/07/27/30/488072730.db2.gz DBTYDWUIKQLNLI-SNVBAGLBSA-N 0 1 243.301 2.033 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000682955634 488072388 /nfs/dbraw/zinc/07/23/88/488072388.db2.gz UDOWAUBWVLIBMI-OIBJUYFYSA-N 0 1 229.283 2.466 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000257659234 488077363 /nfs/dbraw/zinc/07/73/63/488077363.db2.gz IJYJJOYZELJVGG-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@H]1CCN(Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000667693250 488089019 /nfs/dbraw/zinc/08/90/19/488089019.db2.gz FZMNPPFXOXIWKY-QWRGUYRKSA-N 0 1 234.347 2.233 20 0 BEADMN Cc1ccnc(CN2CCSC[C@@H]2C)c1 ZINC000683010554 488089300 /nfs/dbraw/zinc/08/93/00/488089300.db2.gz IQCMRHYWCYJWIL-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361261 488091592 /nfs/dbraw/zinc/09/15/92/488091592.db2.gz PLQVXALXPMKQEF-PWSUYJOCSA-N 0 1 209.289 2.034 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2cn(C3CCC3)nn2)C1 ZINC000667696769 488091618 /nfs/dbraw/zinc/09/16/18/488091618.db2.gz GNGBIQHCWQVDRD-GFCCVEGCSA-N 0 1 248.374 2.481 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@H]3C[C@H]3C2)c(C)[nH]1 ZINC000661970433 488093536 /nfs/dbraw/zinc/09/35/36/488093536.db2.gz LOXWWTFMHDZKFT-RYUDHWBXSA-N 0 1 232.327 2.156 20 0 BEADMN Cc1nnc(CN2CCC3(CC3)CC2)n1C1CC1 ZINC000677717498 488099216 /nfs/dbraw/zinc/09/92/16/488099216.db2.gz HDQDHRXCFMMLNK-UHFFFAOYSA-N 0 1 246.358 2.297 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cc2n(n1)CCC2 ZINC000667758622 488107943 /nfs/dbraw/zinc/10/79/43/488107943.db2.gz KHFZTTXVLDTHMN-ZDUSSCGKSA-N 0 1 219.332 2.060 20 0 BEADMN FC(F)[C@@H]1CCCN1CC1CCOCC1 ZINC000677738101 488117259 /nfs/dbraw/zinc/11/72/59/488117259.db2.gz BTGLWOOBOZXCJX-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cn1 ZINC000397479643 488119522 /nfs/dbraw/zinc/11/95/22/488119522.db2.gz CVXSSVPEMOULON-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000403262646 488120549 /nfs/dbraw/zinc/12/05/49/488120549.db2.gz YGRWZZQYESATRR-UJPOAAIJSA-N 0 1 237.343 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cn1 ZINC000397479646 488120743 /nfs/dbraw/zinc/12/07/43/488120743.db2.gz CVXSSVPEMOULON-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H](N[C@@H](CC)C(N)=O)c1ccccc1F ZINC000379185436 488122124 /nfs/dbraw/zinc/12/21/24/488122124.db2.gz RAGHMBJZNXOPOH-NEPJUHHUSA-N 0 1 238.306 2.130 20 0 BEADMN C[C@@H](O)C1(NCc2cccc(Cl)c2F)CC1 ZINC000668697124 488128054 /nfs/dbraw/zinc/12/80/54/488128054.db2.gz AWTJDKFLQADOPJ-MRVPVSSYSA-N 0 1 243.709 2.482 20 0 BEADMN C[C@H](O)C1(NCc2cc(Cl)ccc2F)CC1 ZINC000668698219 488128869 /nfs/dbraw/zinc/12/88/69/488128869.db2.gz XGPVWZSHTLSHHX-QMMMGPOBSA-N 0 1 243.709 2.482 20 0 BEADMN CC(C)(CNCc1cocn1)[C@@H]1CCCCO1 ZINC000683204176 488129742 /nfs/dbraw/zinc/12/97/42/488129742.db2.gz ZNYGVUWEAIEPCE-LBPRGKRZSA-N 0 1 238.331 2.360 20 0 BEADMN CCC1(C)CCN(C(=O)C2(N(C)C)CC2)CC1 ZINC000667828495 488132090 /nfs/dbraw/zinc/13/20/90/488132090.db2.gz ROBXDBJHEVBGKB-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000668243332 487541572 /nfs/dbraw/zinc/54/15/72/487541572.db2.gz ZJPKLQYLAFTDRF-UTUOFQBUSA-N 0 1 248.374 2.479 20 0 BEADMN CO[C@H](C)COc1ccnc2c1CCCC2 ZINC000655702447 487544166 /nfs/dbraw/zinc/54/41/66/487544166.db2.gz XFCGBXXNALMOPU-SNVBAGLBSA-N 0 1 221.300 2.374 20 0 BEADMN Cc1oc(C[N@@H+]2CC=CCC2)cc1C(=O)[O-] ZINC000382531749 487545311 /nfs/dbraw/zinc/54/53/11/487545311.db2.gz LKBJFDWQYYDSSV-UHFFFAOYSA-N 0 1 221.256 2.048 20 0 BEADMN CCc1nc(S[C@H]2C[C@@H](C)CCC2=O)n[nH]1 ZINC000334624159 487530228 /nfs/dbraw/zinc/53/02/28/487530228.db2.gz OOMNNSVOOOWLPA-CBAPKCEASA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@H]2C[C@@H](C)CCC2=O)n1 ZINC000334624159 487530232 /nfs/dbraw/zinc/53/02/32/487530232.db2.gz OOMNNSVOOOWLPA-CBAPKCEASA-N 0 1 239.344 2.217 20 0 BEADMN CC1=C[C@@H](C)C[C@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791740 487545404 /nfs/dbraw/zinc/54/54/04/487545404.db2.gz XRWMIYJGQQSKBZ-PWSUYJOCSA-N 0 1 246.358 2.155 20 0 BEADMN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](C)N(C)C ZINC000674286983 487546980 /nfs/dbraw/zinc/54/69/80/487546980.db2.gz LDGBMGBCPXUKIL-SMDDNHRTSA-N 0 1 246.354 2.049 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000674288332 487548116 /nfs/dbraw/zinc/54/81/16/487548116.db2.gz BTAKJLKARQGOSM-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccc2c(c1)N(C(=O)[C@H](C)N(C)C)CCC2 ZINC000674289878 487551733 /nfs/dbraw/zinc/55/17/33/487551733.db2.gz SKWYQTYYXAUALO-LBPRGKRZSA-N 0 1 246.354 2.224 20 0 BEADMN CCC1(C(=O)Nc2cc(N(C)C)ccn2)CC1 ZINC000680260547 487554633 /nfs/dbraw/zinc/55/46/33/487554633.db2.gz WCLFIRGQDLKLKV-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN Cc1nccc(NC[C@@H](CO)C(C)C)c1Cl ZINC000336697533 487555157 /nfs/dbraw/zinc/55/51/57/487555157.db2.gz ZEWMKRUBJCHPDE-JTQLQIEISA-N 0 1 242.750 2.142 20 0 BEADMN Cc1nc2cc(NC(=O)[C@H](C)N(C)C)ccc2o1 ZINC000674244274 487533510 /nfs/dbraw/zinc/53/35/10/487533510.db2.gz MSRIKYDFMMBDSO-QMMMGPOBSA-N 0 1 247.298 2.025 20 0 BEADMN C[C@@H](NCc1c[nH]cn1)c1ccsc1 ZINC000061361768 487472236 /nfs/dbraw/zinc/47/22/36/487472236.db2.gz XXDHFWCXZZKJBN-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN C[C@@H](NCc1cnc[nH]1)c1ccsc1 ZINC000061361768 487472242 /nfs/dbraw/zinc/47/22/42/487472242.db2.gz XXDHFWCXZZKJBN-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN CC(C)CNC(=O)CN[C@@H](C)c1ccsc1 ZINC000061363513 487473057 /nfs/dbraw/zinc/47/30/57/487473057.db2.gz DFXIXZXTOIPABJ-JTQLQIEISA-N 0 1 240.372 2.171 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cnc[nH]1 ZINC000673934848 487484370 /nfs/dbraw/zinc/48/43/70/487484370.db2.gz JGOIPAPTSOEOMH-GHMZBOCLSA-N 0 1 235.331 2.242 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000668223759 487479007 /nfs/dbraw/zinc/47/90/07/487479007.db2.gz RTIDNFKKSPAACS-UHTWSYAYSA-N 0 1 249.358 2.121 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cn1 ZINC000405566529 487485992 /nfs/dbraw/zinc/48/59/92/487485992.db2.gz VIEVRNJLHJAVIE-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cn1 ZINC000405566535 487486310 /nfs/dbraw/zinc/48/63/10/487486310.db2.gz VIEVRNJLHJAVIE-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000393958086 487486506 /nfs/dbraw/zinc/48/65/06/487486506.db2.gz YXRZVFUEMVPAJT-MRVPVSSYSA-N 0 1 242.344 2.462 20 0 BEADMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000050341176 487495230 /nfs/dbraw/zinc/49/52/30/487495230.db2.gz WQCXADFIONSGHU-VHSXEESVSA-N 0 1 240.372 2.313 20 0 BEADMN Cc1ncc(CN2CC3(C2)CCCCC3)n1C ZINC000668231407 487497560 /nfs/dbraw/zinc/49/75/60/487497560.db2.gz YJVUUWLEZVYYAQ-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CCCC1 ZINC000042011566 487499957 /nfs/dbraw/zinc/49/99/57/487499957.db2.gz PZXBMDNJEKFIOH-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000062743131 487501763 /nfs/dbraw/zinc/50/17/63/487501763.db2.gz XKLPFLLACLUGHU-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCCN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000670452089 487502390 /nfs/dbraw/zinc/50/23/90/487502390.db2.gz BQTMUVYONBOIBF-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN CCCCN(C)C(=O)c1ccc(CN(C)C)nc1 ZINC000670452134 487503148 /nfs/dbraw/zinc/50/31/48/487503148.db2.gz UWMBVCGCVKJDBN-UHFFFAOYSA-N 0 1 249.358 2.015 20 0 BEADMN CC[C@@H](O)CN1CC[C@H]1c1cccc(F)c1 ZINC000674047597 487504207 /nfs/dbraw/zinc/50/42/07/487504207.db2.gz NWRBPGOTLRXQRO-OLZOCXBDSA-N 0 1 223.291 2.343 20 0 BEADMN CCCN(CCC)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220513959 487509559 /nfs/dbraw/zinc/50/95/59/487509559.db2.gz HBWWMOOBMJDQSZ-NSHDSACASA-N 0 1 249.358 2.163 20 0 BEADMN CC[C@H](C)[C@H](CN[C@H](C)c1ncc[nH]1)OC ZINC000295851894 487514363 /nfs/dbraw/zinc/51/43/63/487514363.db2.gz BBGSIDOMRHVDGP-AXFHLTTASA-N 0 1 225.336 2.121 20 0 BEADMN COCc1cc(CNC2(CC(C)C)CC2)no1 ZINC000668718594 488160290 /nfs/dbraw/zinc/16/02/90/488160290.db2.gz AZJIEWXRQDUTRY-UHFFFAOYSA-N 0 1 238.331 2.489 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000300941767 487559608 /nfs/dbraw/zinc/55/96/08/487559608.db2.gz NIVLUFGIRWPGPY-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN Cc1c[nH]nc1CN1CCc2ccccc2CC1 ZINC000685837670 487584007 /nfs/dbraw/zinc/58/40/07/487584007.db2.gz MLHUAWFJTMCPBT-UHFFFAOYSA-N 0 1 241.338 2.319 20 0 BEADMN CC[N@@H+](Cc1cn[nH]c1)[C@@H]1CCOC(C)(C)C1 ZINC000685849200 487586808 /nfs/dbraw/zinc/58/68/08/487586808.db2.gz GUPSSUHUPNPUEK-GFCCVEGCSA-N 0 1 237.347 2.189 20 0 BEADMN CCC1(CNC(=O)[C@H]2CCCCN2C)CCC1 ZINC000674598162 487597849 /nfs/dbraw/zinc/59/78/49/487597849.db2.gz QCGDGRVZTWVRRJ-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cccc(OCCN(C)Cc2cn[nH]c2)c1 ZINC000674752732 487613050 /nfs/dbraw/zinc/61/30/50/487613050.db2.gz CTMPGUYKONFYHT-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN CCn1cncc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668298944 487634322 /nfs/dbraw/zinc/63/43/22/487634322.db2.gz OKLLISXXUXDHDQ-AAEUAGOBSA-N 0 1 219.332 2.277 20 0 BEADMN CCc1cc(N[C@H](C)Cc2cc(C)n[nH]2)ncn1 ZINC000676030679 487801213 /nfs/dbraw/zinc/80/12/13/487801213.db2.gz WYRHMUYFWXXSHG-SECBINFHSA-N 0 1 245.330 2.114 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000651632718 487804580 /nfs/dbraw/zinc/80/45/80/487804580.db2.gz VAEALWLEJJIIQW-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCOCCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000310096762 487997241 /nfs/dbraw/zinc/99/72/41/487997241.db2.gz LTHZICLYRRDZES-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN c1ccc2c(c1)C[C@@H]2c1nc([C@@H]2CCCN2)no1 ZINC000090986708 488016702 /nfs/dbraw/zinc/01/67/02/488016702.db2.gz ISMZDQCCBOCYMJ-RYUDHWBXSA-N 0 1 241.294 2.182 20 0 BEADMN C[N@@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000667491820 488025687 /nfs/dbraw/zinc/02/56/87/488025687.db2.gz JBFYRKOGJCEQBW-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CCn1ccc(CN(C)Cc2c(C)n[nH]c2C)c1 ZINC000682999274 488081374 /nfs/dbraw/zinc/08/13/74/488081374.db2.gz HYPILKQDWLCRSP-UHFFFAOYSA-N 0 1 246.358 2.480 20 0 BEADMN CN(C)c1ccnc(NC(=O)CC2(C)CC2)c1 ZINC000683252650 488135453 /nfs/dbraw/zinc/13/54/53/488135453.db2.gz RRPZCLRPCUVKEO-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1nccs1 ZINC000667835566 488135827 /nfs/dbraw/zinc/13/58/27/488135827.db2.gz TVUZMJLOFILWNL-LSJOCFKGSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@H]1C[C@H](NCc2nccn2C(F)F)CS1 ZINC000397721409 488141949 /nfs/dbraw/zinc/14/19/49/488141949.db2.gz KJHCKQORWSDFSN-YUMQZZPRSA-N 0 1 247.314 2.262 20 0 BEADMN Cc1cc(CNCc2cncn2C)cs1 ZINC000294152868 488146675 /nfs/dbraw/zinc/14/66/75/488146675.db2.gz HRWWZYVZGHOOHL-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CCC[C@H](C(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000677890089 488149671 /nfs/dbraw/zinc/14/96/71/488149671.db2.gz CJBUYYMJJQAYLL-LBPRGKRZSA-N 0 1 237.347 2.407 20 0 BEADMN O=C(Nc1ccsc1)c1cnc2nc[nH]c2c1 ZINC000677892967 488150568 /nfs/dbraw/zinc/15/05/68/488150568.db2.gz QPYXFZGLKCZDGG-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN Cc1noc([C@@H](C)N2CC[C@H](C3CC3)C2)n1 ZINC000677905236 488151865 /nfs/dbraw/zinc/15/18/65/488151865.db2.gz DGZYGJISYUERJQ-KCJUWKMLSA-N 0 1 221.304 2.171 20 0 BEADMN c1nc(CN2CC[C@H](Cc3ccncc3)C2)co1 ZINC000683354995 488152087 /nfs/dbraw/zinc/15/20/87/488152087.db2.gz KJOFJDNYUVPMAW-CYBMUJFWSA-N 0 1 243.310 2.134 20 0 BEADMN FC(F)Cn1cc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000339590339 488159822 /nfs/dbraw/zinc/15/98/22/488159822.db2.gz OXYKPEFERWRDEF-VHSXEESVSA-N 0 1 247.264 2.128 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCOc2ccc(O)cc2C1 ZINC000668725011 488166867 /nfs/dbraw/zinc/16/68/67/488166867.db2.gz XUNXARIVBNACFB-MNOVXSKESA-N 0 1 233.311 2.243 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@@H+](CCCC(=O)[O-])C1 ZINC000380052133 488169813 /nfs/dbraw/zinc/16/98/13/488169813.db2.gz XKZNCFIPLSBCHB-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(CNC(=O)[C@@]2(C)CC=C(C)CC2)n[nH]1 ZINC000668732155 488173002 /nfs/dbraw/zinc/17/30/02/488173002.db2.gz ITFZSZGXPDRRQJ-AWEZNQCLSA-N 0 1 247.342 2.471 20 0 BEADMN C[C@H](CO)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000678045562 488181255 /nfs/dbraw/zinc/18/12/55/488181255.db2.gz NGHHXHQDYSHBOU-GZBFAFLISA-N 0 1 249.354 2.077 20 0 BEADMN C[C@H](CO)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000678045565 488182760 /nfs/dbraw/zinc/18/27/60/488182760.db2.gz NGHHXHQDYSHBOU-YDHLFZDLSA-N 0 1 249.354 2.077 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453207853 488185090 /nfs/dbraw/zinc/18/50/90/488185090.db2.gz BPVMUBYGKKDJSJ-FDYHWXHSSA-N 0 1 249.358 2.436 20 0 BEADMN Cc1cccc(C[N@H+]2CCC23CCOCC3)n1 ZINC000683525227 488185825 /nfs/dbraw/zinc/18/58/25/488185825.db2.gz QSGIDBKFLJYCIE-UHFFFAOYSA-N 0 1 232.327 2.145 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@]1(C)CO ZINC000668738993 488190141 /nfs/dbraw/zinc/19/01/41/488190141.db2.gz HWYMLBSFODNNRA-JOYOIKCWSA-N 0 1 243.734 2.383 20 0 BEADMN CC[C@H]1CN(Cc2[nH]nc3ccccc32)CCO1 ZINC000678131443 488201998 /nfs/dbraw/zinc/20/19/98/488201998.db2.gz BNZZCQOGJONJSE-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN Cc1c(Br)cncc1CNCCF ZINC000668099648 488202778 /nfs/dbraw/zinc/20/27/78/488202778.db2.gz PPFMZTYIFHTTIM-UHFFFAOYSA-N 0 1 247.111 2.212 20 0 BEADMN CO[C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000678169642 488211245 /nfs/dbraw/zinc/21/12/45/488211245.db2.gz SYLJUUVLQCWQOZ-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN Cn1ncc(C2CC2)c1CN1CC(C2CC2)C1 ZINC000668182851 488215804 /nfs/dbraw/zinc/21/58/04/488215804.db2.gz PTGAVCBNVARFBA-UHFFFAOYSA-N 0 1 231.343 2.139 20 0 BEADMN Cc1cnc(CNCC2(CO)CCCCC2)o1 ZINC000231637551 488217449 /nfs/dbraw/zinc/21/74/49/488217449.db2.gz DHWVEYWSOFOXIY-UHFFFAOYSA-N 0 1 238.331 2.015 20 0 BEADMN CCCn1nccc1CN1CC[C@@H]1CC ZINC000668189332 488217868 /nfs/dbraw/zinc/21/78/68/488217868.db2.gz AYDNUAKHUUEIFG-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN CN(Cc1[nH]nc2ccccc21)CC(F)F ZINC000678215289 488218431 /nfs/dbraw/zinc/21/84/31/488218431.db2.gz JHAKPUKRPAECOH-UHFFFAOYSA-N 0 1 225.242 2.260 20 0 BEADMN CC[C@@H]1CCN1Cc1ccnn1CC1CC1 ZINC000668189544 488218520 /nfs/dbraw/zinc/21/85/20/488218520.db2.gz HNAUJBWPMOWFJL-GFCCVEGCSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@@H]1CCN1Cc1c(C2CC2)cnn1C ZINC000668189750 488218825 /nfs/dbraw/zinc/21/88/25/488218825.db2.gz NSZSMUVTJTYBIS-LLVKDONJSA-N 0 1 219.332 2.282 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCC1CCC1 ZINC000398781583 488224455 /nfs/dbraw/zinc/22/44/55/488224455.db2.gz MHQLQBVAGRBXGB-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN Fc1cc(F)cc(CN2CCc3cn[nH]c3C2)c1 ZINC000678272989 488233448 /nfs/dbraw/zinc/23/34/48/488233448.db2.gz GSGBOIJSVYVWLD-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN Cc1cc(F)ccc1CN1CCc2cn[nH]c2C1 ZINC000678276118 488235166 /nfs/dbraw/zinc/23/51/66/488235166.db2.gz XITJKHJMCRVXNK-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN C[C@H](CC1CCCCC1)NC(=O)[C@H](C)N(C)C ZINC000683882868 488235914 /nfs/dbraw/zinc/23/59/14/488235914.db2.gz HEIQLCIYHSNGBT-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)c3cocn3)ccc12 ZINC000678328644 488240330 /nfs/dbraw/zinc/24/03/30/488240330.db2.gz BWZJKYAFSXUABM-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN FC(F)[C@@H]1CCN(Cc2ccccn2)C1 ZINC000678315831 488240362 /nfs/dbraw/zinc/24/03/62/488240362.db2.gz ZIWBVCLPIKBCAH-SECBINFHSA-N 0 1 212.243 2.169 20 0 BEADMN Cc1nc(C)c(CN2CCS[C@H](C)C2)o1 ZINC000683898702 488240552 /nfs/dbraw/zinc/24/05/52/488240552.db2.gz SREMXYHOPQXLFM-MRVPVSSYSA-N 0 1 226.345 2.229 20 0 BEADMN CN1CC2(C1)CCN(C(=O)CC1=CCCCC1)C2 ZINC000683908602 488243281 /nfs/dbraw/zinc/24/32/81/488243281.db2.gz WRFLGOCPKGLLSU-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000678346509 488243871 /nfs/dbraw/zinc/24/38/71/488243871.db2.gz KRIAWWKRKRHASG-UJURSFKZSA-N 0 1 229.230 2.250 20 0 BEADMN Cc1ccccc1OC[C@@H](O)CN1CC(C)(C)C1 ZINC000683924042 488245263 /nfs/dbraw/zinc/24/52/63/488245263.db2.gz OBKDAIRGDRWHBH-ZDUSSCGKSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)c1cc(C(=O)N2CC(C)(C)C2)n[nH]1 ZINC000684078727 488260654 /nfs/dbraw/zinc/26/06/54/488260654.db2.gz PEPMQCKWLDJQOL-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN CCc1noc(CN2[C@H](CC)CC[C@@H]2C)n1 ZINC000678535024 488264141 /nfs/dbraw/zinc/26/41/41/488264141.db2.gz FSEBACRSTNTKJR-VHSXEESVSA-N 0 1 223.320 2.395 20 0 BEADMN CC1(C)c2ccccc2CC[N@@H+]1CCC(=O)[O-] ZINC000678642658 488275396 /nfs/dbraw/zinc/27/53/96/488275396.db2.gz ZYRYCGAGQLSNFP-UHFFFAOYSA-N 0 1 233.311 2.255 20 0 BEADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NC1CCC1 ZINC000673739578 488306913 /nfs/dbraw/zinc/30/69/13/488306913.db2.gz IESCVPUUTIISSZ-UHFFFAOYSA-N 0 1 247.220 2.019 20 0 BEADMN Cc1noc(C)c1CN1CC(C(C)C)C1 ZINC000684408089 488307767 /nfs/dbraw/zinc/30/77/67/488307767.db2.gz LMCKAIWVDMZXCA-UHFFFAOYSA-N 0 1 208.305 2.379 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N1CC=CCC1 ZINC000679323804 488337021 /nfs/dbraw/zinc/33/70/21/488337021.db2.gz LRCJQUMUABGEBR-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1cc(C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n[nH]1 ZINC000679168117 488314019 /nfs/dbraw/zinc/31/40/19/488314019.db2.gz YQCQBHHHXNZSLS-CABZTGNLSA-N 0 1 247.342 2.080 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000679169652 488314533 /nfs/dbraw/zinc/31/45/33/488314533.db2.gz VCANWGFLFHBBSC-OIBJUYFYSA-N 0 1 233.267 2.189 20 0 BEADMN C[C@@H]1CCN(CCOC(C)(C)C)C[C@@H]1F ZINC000679226349 488321662 /nfs/dbraw/zinc/32/16/62/488321662.db2.gz UFLLEXVPGZBTDF-MNOVXSKESA-N 0 1 217.328 2.481 20 0 BEADMN Cc1nccc(CN2CCC(OC(C)C)CC2)n1 ZINC000684617329 488332684 /nfs/dbraw/zinc/33/26/84/488332684.db2.gz KEKXKRRZLPASJD-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1ccc(F)cc1CN(C)Cc1cnc[nH]1 ZINC000684620861 488333987 /nfs/dbraw/zinc/33/39/87/488333987.db2.gz MSWXQFFVHGSKFS-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN C[C@@H](C(=O)NC[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)C ZINC000684756118 488340026 /nfs/dbraw/zinc/34/00/26/488340026.db2.gz BZNHJRHWAQWCMQ-MROQNXINSA-N 0 1 240.391 2.125 20 0 BEADMN Cc1ccc2ncc(CN3CC=CCC3)n2c1 ZINC000679357374 488344013 /nfs/dbraw/zinc/34/40/13/488344013.db2.gz LBTJMGFOCXVOSG-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN CCc1ncc(CN2CC=CCC2)s1 ZINC000679357430 488344699 /nfs/dbraw/zinc/34/46/99/488344699.db2.gz PMEYUZBEBGXWTR-UHFFFAOYSA-N 0 1 208.330 2.467 20 0 BEADMN FC(F)O[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000679682103 488364468 /nfs/dbraw/zinc/36/44/68/488364468.db2.gz MBWPOJOPMKSEMR-LLVKDONJSA-N 0 1 249.301 2.117 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC000679798076 488366221 /nfs/dbraw/zinc/36/62/21/488366221.db2.gz GDOAIKNKBLKUQD-JTQLQIEISA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](CO)C[N@@H+](Cc1cccs1)C1CC1 ZINC000120530051 490063824 /nfs/dbraw/zinc/06/38/24/490063824.db2.gz QUJCHQCHEFLXAR-SNVBAGLBSA-N 0 1 225.357 2.341 20 0 BEADMN COc1ccc(CNCc2cn[nH]c2)c(C)c1 ZINC000675763946 490105874 /nfs/dbraw/zinc/10/58/74/490105874.db2.gz XTSQTGAJJJOPLE-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN Cc1ccc(Cn2[nH]c(C3CC3)cc2=O)cc1 ZINC000109525074 490162971 /nfs/dbraw/zinc/16/29/71/490162971.db2.gz JZHQJXVOIUDVIC-UHFFFAOYSA-N 0 1 228.295 2.493 20 0 BEADMN NC(=O)[C@H](c1ccccc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931335 490203510 /nfs/dbraw/zinc/20/35/10/490203510.db2.gz OURLFQXIIROVPU-IHRRRGAJSA-N 0 1 244.338 2.087 20 0 BEADMN C[C@@H](CCNC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078704637 490217894 /nfs/dbraw/zinc/21/78/94/490217894.db2.gz DHIXTHKBIJLSBT-STQMWFEESA-N 0 1 248.370 2.247 20 0 BEADMN C[C@@H](C(=O)NCC[C@H]1CCC[C@H](C)C1)N(C)C ZINC000078744467 490224933 /nfs/dbraw/zinc/22/49/33/490224933.db2.gz IYDDSFQZIFHSOK-RWMBFGLXSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078748849 490226950 /nfs/dbraw/zinc/22/69/50/490226950.db2.gz ZRULYYGRXFAVQK-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1O ZINC000414624980 490285466 /nfs/dbraw/zinc/28/54/66/490285466.db2.gz HSMDUTOQJHCAKM-UHFFFAOYSA-N 0 1 245.282 2.089 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)nc1 ZINC000228886502 490305067 /nfs/dbraw/zinc/30/50/67/490305067.db2.gz PBNAUDGCFUREGW-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCC1 ZINC000130238691 490324806 /nfs/dbraw/zinc/32/48/06/490324806.db2.gz LNGHNJMZANLEJC-VIFPVBQESA-N 0 1 243.310 2.481 20 0 BEADMN COCCCN(C)Cc1cccc(OC)c1F ZINC000192945525 490326881 /nfs/dbraw/zinc/32/68/81/490326881.db2.gz PJQVNFCNUIOSAE-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCN(Cc1ccccc1C)C(=O)[C@H](C)N(C)C ZINC000078666009 490334381 /nfs/dbraw/zinc/33/43/81/490334381.db2.gz BVWCWCPTYUDIGX-ZDUSSCGKSA-N 0 1 248.370 2.294 20 0 BEADMN COCc1cc(CNCCC(C)(C)F)no1 ZINC000668569868 490369664 /nfs/dbraw/zinc/36/96/64/490369664.db2.gz IFYQZZWXZMHFHW-UHFFFAOYSA-N 0 1 230.283 2.049 20 0 BEADMN CCC1(CC)CCN(Cc2cncnc2OC)C1 ZINC000648008608 490398775 /nfs/dbraw/zinc/39/87/75/490398775.db2.gz QLFICRLCSVZRLE-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(O)cc1 ZINC000131418754 490636813 /nfs/dbraw/zinc/63/68/13/490636813.db2.gz GCXSVIYZVDIKPG-AAEUAGOBSA-N 0 1 235.327 2.392 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1cc[nH]c1 ZINC000080648385 490648019 /nfs/dbraw/zinc/64/80/19/490648019.db2.gz WOSFTJBUJCMLKF-QMMMGPOBSA-N 0 1 219.288 2.470 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000086803201 491062174 /nfs/dbraw/zinc/06/21/74/491062174.db2.gz MAKSGRVSIOKANP-LBPRGKRZSA-N 0 1 239.290 2.429 20 0 BEADMN Cc1cccc(NCCC2(CO)CCC2)n1 ZINC000651465367 491063350 /nfs/dbraw/zinc/06/33/50/491063350.db2.gz KLSDPTWYPCMCCB-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802699 491077764 /nfs/dbraw/zinc/07/77/64/491077764.db2.gz SZAKRFJHYAARSQ-STQMWFEESA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](CC3(C(=O)[O-])CC3)C2)C1 ZINC000652442976 491085155 /nfs/dbraw/zinc/08/51/55/491085155.db2.gz DZNWFINJTFSUJT-AAEUAGOBSA-N 0 1 237.343 2.363 20 0 BEADMN COc1cccc2c1CN(C[C@H]1CCCO1)CC2 ZINC000650106549 491085673 /nfs/dbraw/zinc/08/56/73/491085673.db2.gz GOYYKLMAPPTPSU-CYBMUJFWSA-N 0 1 247.338 2.232 20 0 BEADMN COC[C@@H](NCCSC)c1ccc(C)o1 ZINC000184651311 491086562 /nfs/dbraw/zinc/08/65/62/491086562.db2.gz HEKLHOBTCQBKFI-SNVBAGLBSA-N 0 1 229.345 2.228 20 0 BEADMN COCC[C@@H](C)N[C@H]1CCCC1(F)F ZINC000308526110 491136939 /nfs/dbraw/zinc/13/69/39/491136939.db2.gz QRVUDQIOHHHUTF-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN CN1CC(C[N@@H+](C)Cc2sccc2Cl)C1 ZINC000668538659 491127306 /nfs/dbraw/zinc/12/73/06/491127306.db2.gz GILOJIXDCJNGKE-UHFFFAOYSA-N 0 1 244.791 2.395 20 0 BEADMN Cc1cc(F)cc(NC(=O)[C@H](C)N(C)C)c1 ZINC000124482548 491131868 /nfs/dbraw/zinc/13/18/68/491131868.db2.gz LHACIQXWKVEFDM-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN c1csc(CCCNCc2ccon2)c1 ZINC000634974709 491132113 /nfs/dbraw/zinc/13/21/13/491132113.db2.gz ISITUJMJBWOKJO-UHFFFAOYSA-N 0 1 222.313 2.459 20 0 BEADMN COCC[C@@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000088493352 491133946 /nfs/dbraw/zinc/13/39/46/491133946.db2.gz KHEZHURTOJIYOM-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN COCC[C@H](C)N[C@H]1CCCC1(F)F ZINC000308526116 491136915 /nfs/dbraw/zinc/13/69/15/491136915.db2.gz QRVUDQIOHHHUTF-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1noc([C@@H](C)NCC2(C)CCC2)n1 ZINC000309011742 491142357 /nfs/dbraw/zinc/14/23/57/491142357.db2.gz SCEJLQAJJMLHGU-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1csnn1 ZINC000133405796 491153342 /nfs/dbraw/zinc/15/33/42/491153342.db2.gz GUEIJTWKZUHIDD-WPRPVWTQSA-N 0 1 211.334 2.206 20 0 BEADMN Cc1nc([C@H](C)NCC[C@@H](C)O)c(C)s1 ZINC000082993208 491158299 /nfs/dbraw/zinc/15/82/99/491158299.db2.gz KVJYYNGQIQYIIF-SFYZADRCSA-N 0 1 228.361 2.181 20 0 BEADMN CC(C)OC(=O)CC[C@H](C)N(C)CCF ZINC001172770772 974936143 /nfs/dbraw/zinc/93/61/43/974936143.db2.gz NTSWLULTLOSGFO-JTQLQIEISA-N 0 1 219.300 2.008 20 0 BEADMN CCOc1ccccc1CN(C)Cc1cnc[nH]1 ZINC000180039287 535504960 /nfs/dbraw/zinc/50/49/60/535504960.db2.gz FFQGPIYGYFHUMR-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN CCC[C@@](C)(O)CNCc1nc(C)cs1 ZINC000164137010 535546744 /nfs/dbraw/zinc/54/67/44/535546744.db2.gz MNKFDCAEXCTWEM-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN C[C@@H]1C[C@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000488290984 534016912 /nfs/dbraw/zinc/01/69/12/534016912.db2.gz IFZCKKBCGUBBLT-NEPJUHHUSA-N 0 1 232.327 2.213 20 0 BEADMN COC[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000274380536 518091091 /nfs/dbraw/zinc/09/10/91/518091091.db2.gz SNWCADPTORAESH-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CCn1cc(CN2CCSC[C@@H]2C)c(C)n1 ZINC000892046064 582771730 /nfs/dbraw/zinc/77/17/30/582771730.db2.gz MEIRYFSRVYCCFU-JTQLQIEISA-N 0 1 239.388 2.149 20 0 BEADMN CCOc1ccc(CN2CCC[C@@](C)(O)C2)o1 ZINC000892092767 582789375 /nfs/dbraw/zinc/78/93/75/582789375.db2.gz XIRLIOPTEJJCIT-CYBMUJFWSA-N 0 1 239.315 2.025 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892103158 582791931 /nfs/dbraw/zinc/79/19/31/582791931.db2.gz IYPQJQDELZSSGX-QWRGUYRKSA-N 0 1 219.332 2.448 20 0 BEADMN O=C(NC[C@H]1CC=CCC1)[C@H]1CCCN1C1CC1 ZINC000495019323 534633542 /nfs/dbraw/zinc/63/35/42/534633542.db2.gz QDHZILYWTDNQTA-GXTWGEPZSA-N 0 1 248.370 2.086 20 0 BEADMN CC(=O)c1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000336193352 534843260 /nfs/dbraw/zinc/84/32/60/534843260.db2.gz PWNIQPBUZKZYOL-GFCCVEGCSA-N 0 1 247.338 2.358 20 0 BEADMN C/C=C/C=C/C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000493001252 527577419 /nfs/dbraw/zinc/57/74/19/527577419.db2.gz BCWKBWGCQGYPEI-UEWBTKLTSA-N 0 1 236.359 2.060 20 0 BEADMN CCOc1cccc(CN(C)C2CC2)n1 ZINC000507115299 528642191 /nfs/dbraw/zinc/64/21/91/528642191.db2.gz GGZVNYCNLCUIGF-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CCCN1C(=O)N=NC1SCC[C@H](C)F ZINC000505462440 528821931 /nfs/dbraw/zinc/82/19/31/528821931.db2.gz QXXRLHJSWRPPTA-ZETCQYMHSA-N 0 1 233.312 2.234 20 0 BEADMN CCCN1C(=O)N=NC1SCCCCF ZINC000505461150 528822681 /nfs/dbraw/zinc/82/26/81/528822681.db2.gz IQCODBZITBQANX-UHFFFAOYSA-N 0 1 233.312 2.236 20 0 BEADMN CC[C@@H](C)CN(C)CN1CC(C)(C)OC1=O ZINC000494153182 529313796 /nfs/dbraw/zinc/31/37/96/529313796.db2.gz AIFPXCDXZSDYNC-SNVBAGLBSA-N 0 1 228.336 2.153 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CC=CCC1 ZINC000263490876 535039016 /nfs/dbraw/zinc/03/90/16/535039016.db2.gz IMSCBCIESXMXHM-LLVKDONJSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)C[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336159458 535284456 /nfs/dbraw/zinc/28/44/56/535284456.db2.gz BPRSMUCTBZKRMW-JTQLQIEISA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)(O)CCNCc1ncc(Cl)s1 ZINC000308519825 535293136 /nfs/dbraw/zinc/29/31/36/535293136.db2.gz XCWSCCXLXQAXOH-UHFFFAOYSA-N 0 1 234.752 2.047 20 0 BEADMN CCCC[C@@H](CC)CN1CCNC(=O)[C@@H]1C ZINC000183610228 535348286 /nfs/dbraw/zinc/34/82/86/535348286.db2.gz QZXAABIZTQFKET-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CC1(C)C[C@@H](N[C@@H]2CCn3ccnc32)C(C)(C)O1 ZINC000335575092 535365475 /nfs/dbraw/zinc/36/54/75/535365475.db2.gz CGCLKFZAVPESGO-GHMZBOCLSA-N 0 1 249.358 2.264 20 0 BEADMN CCC[C@@H]1CCCCN1CC(=O)OCC ZINC000179513192 535410257 /nfs/dbraw/zinc/41/02/57/535410257.db2.gz QFKFDDNPAWSNNK-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268138881 535492206 /nfs/dbraw/zinc/49/22/06/535492206.db2.gz HZDMASPTMWEDJT-GBIKHYSHSA-N 0 1 247.342 2.134 20 0 BEADMN CCOCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352194148 535515969 /nfs/dbraw/zinc/51/59/69/535515969.db2.gz IEGUFSDRPXVBHQ-ZDUSSCGKSA-N 0 1 237.347 2.363 20 0 BEADMN CCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000028122244 535748493 /nfs/dbraw/zinc/74/84/93/535748493.db2.gz HEWVIFVVKWCRML-UHFFFAOYSA-N 0 1 241.338 2.377 20 0 in-vivo BEADMN CC[C@@H](NC[C@@H](O)C(F)F)c1ccccc1F ZINC000226608587 535804652 /nfs/dbraw/zinc/80/46/52/535804652.db2.gz PZFIKWKMSFUCHB-GHMZBOCLSA-N 0 1 247.260 2.492 20 0 BEADMN CC[C@@H](N[C@@H]1CCCOC1)c1nccs1 ZINC000070717447 535808252 /nfs/dbraw/zinc/80/82/52/535808252.db2.gz KALGDCMCCBOGNB-NXEZZACHSA-N 0 1 226.345 2.363 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C)[C@@H]2CC)o1 ZINC000185604640 535846500 /nfs/dbraw/zinc/84/65/00/535846500.db2.gz AXIOURAQQMIXHD-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN CCn1nccc1CN1CC(C)=C[C@@H](C)C1 ZINC000336128323 535867536 /nfs/dbraw/zinc/86/75/36/535867536.db2.gz UVEGEWYUTPKENZ-LLVKDONJSA-N 0 1 219.332 2.301 20 0 BEADMN CCn1cc(CN2CC(C3CCC3)C2)cn1 ZINC000348712607 536051214 /nfs/dbraw/zinc/05/12/14/536051214.db2.gz VDDKLBGHKULDOJ-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CCc1cc(C(=O)N2CCC(C)(C)CC2)n[nH]1 ZINC000334401258 536104915 /nfs/dbraw/zinc/10/49/15/536104915.db2.gz NJGNHKSJNZLJES-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)n[nH]1 ZINC000334878989 536106830 /nfs/dbraw/zinc/10/68/30/536106830.db2.gz AEYKKQCSUUFTKA-LLVKDONJSA-N 0 1 249.358 2.480 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)C1=CCCC1 ZINC000335576358 536133043 /nfs/dbraw/zinc/13/30/43/536133043.db2.gz ZDIYTCRUUVHFPX-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1ccc(CN2CCOCC3(CC3)C2)cn1 ZINC000335295970 536177222 /nfs/dbraw/zinc/17/72/22/536177222.db2.gz LRQMOWKKMVSRQN-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN CN(CCN1CCOC(C)(C)C1)c1ccccc1 ZINC000177255034 536375896 /nfs/dbraw/zinc/37/58/96/536375896.db2.gz NHXAHWJGPYCWQA-UHFFFAOYSA-N 0 1 248.370 2.234 20 0 BEADMN Cc1nc2ccc(CSC[C@@H](C)O)cc2[nH]1 ZINC000413016411 566379097 /nfs/dbraw/zinc/37/90/97/566379097.db2.gz LXCKRMRRFCXNOG-MRVPVSSYSA-N 0 1 236.340 2.485 20 0 BEADMN CCN(Cc1cnc([C@H](C)O)s1)C1CC1 ZINC000289026003 566383769 /nfs/dbraw/zinc/38/37/69/566383769.db2.gz GQHKZSZSQWHFAV-QMMMGPOBSA-N 0 1 226.345 2.181 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1CC12CCC2)N(C)C ZINC000893469091 583149210 /nfs/dbraw/zinc/14/92/10/583149210.db2.gz MNFQCTZIKSUJRE-VXGBXAGGSA-N 0 1 239.359 2.306 20 0 BEADMN CCN(C)Cc1ccc(OC)c(OC)c1F ZINC000893921977 583247792 /nfs/dbraw/zinc/24/77/92/583247792.db2.gz VWVJIQJCCJSPMT-UHFFFAOYSA-N 0 1 227.279 2.295 20 0 BEADMN CCCCCNCc1ncc(C(=O)OC)s1 ZINC000894146209 583318051 /nfs/dbraw/zinc/31/80/51/583318051.db2.gz PTZCYRVSHPCNTJ-UHFFFAOYSA-N 0 1 242.344 2.210 20 0 BEADMN CC(C)(C)c1nc(CNc2nccs2)n[nH]1 ZINC000894162577 583322196 /nfs/dbraw/zinc/32/21/96/583322196.db2.gz VQUMUQQWGRIKND-UHFFFAOYSA-N 0 1 237.332 2.171 20 0 BEADMN c1n[nH]nc1SCCC1SCCS1 ZINC000853018623 588715899 /nfs/dbraw/zinc/71/58/99/588715899.db2.gz LISYGAOFJFLECZ-UHFFFAOYSA-N 0 1 233.387 2.093 20 0 BEADMN O[C@H](CN1CC2(C1)CCCCC2)c1ccccn1 ZINC000853064596 588718736 /nfs/dbraw/zinc/71/87/36/588718736.db2.gz WOWRNNANNQVTRE-CQSZACIVSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1ccsc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853214616 588725359 /nfs/dbraw/zinc/72/53/59/588725359.db2.gz OCLPHTIKOKYBPU-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN Cc1cccc(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853213168 588725414 /nfs/dbraw/zinc/72/54/14/588725414.db2.gz GFUGPQIITAPDTG-VIFPVBQESA-N 0 1 231.255 2.031 20 0 BEADMN CC[C@@H](CC(=O)O[C@@H](C)c1nnc[nH]1)C(C)C ZINC000853219054 588725842 /nfs/dbraw/zinc/72/58/42/588725842.db2.gz FSRZZBABRKRETC-UWVGGRQHSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)CCC(C)(C)C)c1nnc[nH]1 ZINC000853221469 588726110 /nfs/dbraw/zinc/72/61/10/588726110.db2.gz WWOZDKYXNKJZLZ-QMMMGPOBSA-N 0 1 225.292 2.235 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853219983 588726342 /nfs/dbraw/zinc/72/63/42/588726342.db2.gz UPCSHCYYPPZYLH-NXEZZACHSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)c1ccoc1C1CC1)c1nnc[nH]1 ZINC000853222944 588726621 /nfs/dbraw/zinc/72/66/21/588726621.db2.gz DKTSWSBSJBLYLB-ZETCQYMHSA-N 0 1 247.254 2.193 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCCC1(C)C)c1nnc[nH]1 ZINC000853223847 588726836 /nfs/dbraw/zinc/72/68/36/588726836.db2.gz AOHMGTZNTFWYGK-IUCAKERBSA-N 0 1 237.303 2.235 20 0 BEADMN CCCc1[nH]ccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224725 588726838 /nfs/dbraw/zinc/72/68/38/588726838.db2.gz HRQWNKRBRNYJDR-MRVPVSSYSA-N 0 1 248.286 2.003 20 0 BEADMN C[C@H](OC(=O)[C@]1(C)CC=CCC1)c1nnc[nH]1 ZINC000853224292 588726861 /nfs/dbraw/zinc/72/68/61/588726861.db2.gz FBWJYESCJVWLSD-JOYOIKCWSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224351 588727048 /nfs/dbraw/zinc/72/70/48/588727048.db2.gz FQZCUHXPBGGLAE-HOTUBEGUSA-N 0 1 237.303 2.091 20 0 BEADMN C[C@H](OC(=O)C[C@H]1CCC[C@@H]1C)c1nnc[nH]1 ZINC000853223980 588727050 /nfs/dbraw/zinc/72/70/50/588727050.db2.gz BTRVMZARHDNDTN-LPEHRKFASA-N 0 1 237.303 2.235 20 0 BEADMN Cc1csc(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853225728 588727508 /nfs/dbraw/zinc/72/75/08/588727508.db2.gz RNAFRRCZVBHXEF-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN C[C@@H](OC(=O)C1=CCCCCC1)c1nnc[nH]1 ZINC000853226660 588727533 /nfs/dbraw/zinc/72/75/33/588727533.db2.gz ZJIVXVSYQJRCDE-SECBINFHSA-N 0 1 235.287 2.299 20 0 BEADMN CCCC[C@](C)(F)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227743 588727570 /nfs/dbraw/zinc/72/75/70/588727570.db2.gz SSYPRTOUIDZYGO-KWQFWETISA-N 0 1 243.282 2.327 20 0 BEADMN CCN(CN1CC[C@H](C(C)C)C1=O)C1CCC1 ZINC000853497416 588746313 /nfs/dbraw/zinc/74/63/13/588746313.db2.gz YQPKFDJMCSAPLN-CYBMUJFWSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)[C@H]1CCN(CN2CCC[C@H](C)C2)C1=O ZINC000853486673 588745685 /nfs/dbraw/zinc/74/56/85/588745685.db2.gz AWSVTXXKZQAXNM-QWHCGFSZSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)CN(C)CN1CC[C@H](C(C)C)C1=O ZINC000853492376 588745735 /nfs/dbraw/zinc/74/57/35/588745735.db2.gz OCMGLLSMKFCVRY-GFCCVEGCSA-N 0 1 226.364 2.036 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1C(=O)CCC1(C)C ZINC000853628371 588751148 /nfs/dbraw/zinc/75/11/48/588751148.db2.gz TYADGRBCNBYDLI-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCc3n[nH]cc3C2)s1 ZINC000854054364 588772785 /nfs/dbraw/zinc/77/27/85/588772785.db2.gz AUGHCTFUDGFGIA-UHFFFAOYSA-N 0 1 248.355 2.123 20 0 BEADMN CO[C@@H]1CC[C@H](c2nc([C@H](N)C(C)C)no2)C1 ZINC000854132489 588776088 /nfs/dbraw/zinc/77/60/88/588776088.db2.gz AHYSPADEKBILQL-IVZWLZJFSA-N 0 1 239.319 2.008 20 0 BEADMN CC[C@H](NC)c1nc(-c2nc(C)cs2)no1 ZINC000854139615 588776503 /nfs/dbraw/zinc/77/65/03/588776503.db2.gz YMDFNQIJDHPVSG-ZETCQYMHSA-N 0 1 238.316 2.172 20 0 BEADMN CC[C@H](NC)c1nc(-c2c(C)noc2C)no1 ZINC000854159622 588777035 /nfs/dbraw/zinc/77/70/35/588777035.db2.gz AWYHAQHBGAJYGH-QMMMGPOBSA-N 0 1 236.275 2.012 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(O)c(C)c2)no1 ZINC000854153059 588777069 /nfs/dbraw/zinc/77/70/69/588777069.db2.gz DWFUZVHYQJIEOV-JTQLQIEISA-N 0 1 247.298 2.421 20 0 BEADMN CC1(C(=O)NOc2ccccc2)CCC(=O)CC1 ZINC000854537759 588791597 /nfs/dbraw/zinc/79/15/97/588791597.db2.gz RAIGLLARSDSVJG-UHFFFAOYSA-N 0 1 247.294 2.246 20 0 BEADMN CC1(C)C[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810512 588811841 /nfs/dbraw/zinc/81/18/41/588811841.db2.gz XVWBEUZUADWPJM-JTQLQIEISA-N 0 1 243.310 2.225 20 0 BEADMN CCCC[C@](C)(F)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135202 588822721 /nfs/dbraw/zinc/82/27/21/588822721.db2.gz ICYYYKICVOUJHR-LBPRGKRZSA-N 0 1 241.310 2.287 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C(F)=C1CCCC1 ZINC000855134186 588822973 /nfs/dbraw/zinc/82/29/73/588822973.db2.gz HXKPKKIFUUFIQE-UHFFFAOYSA-N 0 1 237.278 2.166 20 0 BEADMN C[C@@H]1CC/C(=C\C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000855134172 588823005 /nfs/dbraw/zinc/82/30/05/588823005.db2.gz HNVSSYNUZTYHTG-VUUNSECVSA-N 0 1 233.315 2.115 20 0 BEADMN O=C1CCCN1CN1CCC[C@@H]1c1ccccc1 ZINC000113239233 588827706 /nfs/dbraw/zinc/82/77/06/588827706.db2.gz GRDCJKNBWDTQDU-CQSZACIVSA-N 0 1 244.338 2.403 20 0 BEADMN CCN(CCc1ccccc1)CN1CCCC1=O ZINC000113241041 588827913 /nfs/dbraw/zinc/82/79/13/588827913.db2.gz WKGAJKKDBZPITM-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN CC[C@@H]1c2ccccc2CN1C(=O)[C@@H](C)N(C)C ZINC000890617286 582488332 /nfs/dbraw/zinc/48/83/32/582488332.db2.gz SUEVVNOVVYESKW-BXUZGUMPSA-N 0 1 246.354 2.430 20 0 BEADMN C/C(=C\C[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000214612621 582488786 /nfs/dbraw/zinc/48/87/86/582488786.db2.gz BPMJVPFYFQWOGZ-IZZDOVSWSA-N 0 1 213.321 2.384 20 0 BEADMN Cc1ncc(C(=O)N(Cc2ccoc2)C2CC2)[nH]1 ZINC000889096333 582503557 /nfs/dbraw/zinc/50/35/57/582503557.db2.gz VBNCLKVVFUBQLZ-UHFFFAOYSA-N 0 1 245.282 2.116 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H]1CCCN1C1CC1 ZINC000890767646 582543519 /nfs/dbraw/zinc/54/35/19/582543519.db2.gz SLWSTBRWDZGVMV-MRVWCRGKSA-N 0 1 248.370 2.084 20 0 BEADMN CCC/C(C)=C/C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000804815177 582564718 /nfs/dbraw/zinc/56/47/18/582564718.db2.gz PDULSNPFEBCLBI-FLOXNTQESA-N 0 1 236.319 2.037 20 0 BEADMN CCC/C=C\C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000855485726 588837872 /nfs/dbraw/zinc/83/78/72/588837872.db2.gz GXTKOJJFLBOUEE-LJTDUEICSA-N 0 1 238.375 2.285 20 0 BEADMN CN1CCC[C@H]1C(=O)NC1(C)C(C)(C)C1(C)C ZINC000891163566 582617814 /nfs/dbraw/zinc/61/78/14/582617814.db2.gz XPRXZLLRHGIVLW-JTQLQIEISA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cnnc(NC[C@H](c2ccco2)N(C)C)c1 ZINC000891485594 582692058 /nfs/dbraw/zinc/69/20/58/582692058.db2.gz QYLAACCPDUCYIH-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN CC(C)C[N@@H+](C)Cc1nccn1C1CC1 ZINC000891578179 582698336 /nfs/dbraw/zinc/69/83/36/582698336.db2.gz JBOPJGRVUUMYQA-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN CC(C)CN(C)Cc1nccn1C1CC1 ZINC000891578179 582698340 /nfs/dbraw/zinc/69/83/40/582698340.db2.gz JBOPJGRVUUMYQA-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN COc1ccc(CN(C)[C@@H]2CCSC2)o1 ZINC000891601835 582700837 /nfs/dbraw/zinc/70/08/37/582700837.db2.gz KFLWKGFKBIVHOR-SECBINFHSA-N 0 1 227.329 2.226 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@H](C)C2CC2)c(C)n1 ZINC000891643198 582705425 /nfs/dbraw/zinc/70/54/25/582705425.db2.gz IUDSLTCNMODLDC-LLVKDONJSA-N 0 1 221.348 2.442 20 0 BEADMN CN(Cc1nccn1C1CC1)CC1CCOCC1 ZINC000892002850 582759092 /nfs/dbraw/zinc/75/90/92/582759092.db2.gz BDFBXXUVUWFLJE-UHFFFAOYSA-N 0 1 249.358 2.076 20 0 BEADMN CCn1cc(CN2CC=C(C)CC2)c(C)n1 ZINC000892069997 582785646 /nfs/dbraw/zinc/78/56/46/582785646.db2.gz SBJRFQACXNFELQ-UHFFFAOYSA-N 0 1 219.332 2.363 20 0 BEADMN C[C@H]1COCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892077448 582786467 /nfs/dbraw/zinc/78/64/67/582786467.db2.gz SHSADEKUNGZKMP-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN COc1nccc(CN(C)CCC2CC2)c1F ZINC000892235473 582810753 /nfs/dbraw/zinc/81/07/53/582810753.db2.gz NSZQTRGAXBRGDH-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CCCC2CC2)n[nH]1 ZINC000840574313 582923033 /nfs/dbraw/zinc/92/30/33/582923033.db2.gz IVLIUOPNQOFQBK-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN C[C@H](CO)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000678044416 582958675 /nfs/dbraw/zinc/95/86/75/582958675.db2.gz PLKCXROXAIBLPY-KCQAQPDRSA-N 0 1 249.354 2.077 20 0 BEADMN CC[C@@]1(C)CCCN(c2nc(C)cc(N)n2)C1 ZINC000892723431 582969627 /nfs/dbraw/zinc/96/96/27/582969627.db2.gz MDDVBOBFQVLLLE-ZDUSSCGKSA-N 0 1 234.347 2.384 20 0 BEADMN CCCCOCCNCc1c(C)noc1CC ZINC000892732127 582972661 /nfs/dbraw/zinc/97/26/61/582972661.db2.gz GODJAOKIZMQJQU-UHFFFAOYSA-N 0 1 240.347 2.452 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1ccc(F)cc1F ZINC000892745149 582974381 /nfs/dbraw/zinc/97/43/81/582974381.db2.gz LCUSYILQQBBBNA-MRVPVSSYSA-N 0 1 243.253 2.006 20 0 BEADMN CO[C@@H](C)CCNCc1nnc(C(C)C)s1 ZINC000892806398 582987203 /nfs/dbraw/zinc/98/72/03/582987203.db2.gz FVBSDBNJICEPRE-VIFPVBQESA-N 0 1 243.376 2.176 20 0 BEADMN C[C@H](OC(=O)CC1=CCCCC1)c1nnc[nH]1 ZINC000853220265 583032049 /nfs/dbraw/zinc/03/20/49/583032049.db2.gz NAUCCJUXQJRSLM-VIFPVBQESA-N 0 1 235.287 2.299 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000840583353 583037610 /nfs/dbraw/zinc/03/76/10/583037610.db2.gz XYZHDPNQEHFNRM-RKDXNWHRSA-N 0 1 249.314 2.464 20 0 BEADMN COc1ccc(CNCCC(F)(F)F)nc1 ZINC000893085286 583046902 /nfs/dbraw/zinc/04/69/02/583046902.db2.gz XMBHWBBIKZEOAO-UHFFFAOYSA-N 0 1 234.221 2.132 20 0 BEADMN Cc1cc(N)nc(N(C)C[C@H]2CC=CCC2)n1 ZINC000893136950 583055671 /nfs/dbraw/zinc/05/56/71/583055671.db2.gz XWMKNUINJSOHTM-NSHDSACASA-N 0 1 232.331 2.160 20 0 BEADMN CC(=O)OC[C@@H](C)Nc1cc(C)cc(C)n1 ZINC000893201904 583069841 /nfs/dbraw/zinc/06/98/41/583069841.db2.gz ABZNYGUAEVSQLI-SNVBAGLBSA-N 0 1 222.288 2.062 20 0 BEADMN Cc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)ccn1 ZINC000856756446 588875930 /nfs/dbraw/zinc/87/59/30/588875930.db2.gz PGXJBZHLNUZMIA-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN CCn1cc(CN[C@@H]2C[C@H]2C2CCCCC2)nn1 ZINC000893356606 583121359 /nfs/dbraw/zinc/12/13/59/583121359.db2.gz NELUUTJSXKVUGO-UONOGXRCSA-N 0 1 248.374 2.356 20 0 BEADMN Cn1cc(CN[C@@]2(C)CC2(C)C)c(Cl)n1 ZINC000856796370 588878350 /nfs/dbraw/zinc/87/83/50/588878350.db2.gz SNMZBDNGHCQPRH-NSHDSACASA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)[C@@H]1CCCN([C@@H]2CCOC2=O)CC1 ZINC000114729114 588881392 /nfs/dbraw/zinc/88/13/92/588881392.db2.gz LWTAOWRLWOZZIZ-VXGBXAGGSA-N 0 1 225.332 2.060 20 0 BEADMN C/C=C/C[C@H](CO)NCc1nc(C)c(C)s1 ZINC000893660600 583189624 /nfs/dbraw/zinc/18/96/24/583189624.db2.gz IDIWXZZNZGWKLR-SGUJLRQBSA-N 0 1 240.372 2.177 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1nc(C)c(C)s1 ZINC000893660601 583189882 /nfs/dbraw/zinc/18/98/82/583189882.db2.gz IDIWXZZNZGWKLR-WYGGZMRJSA-N 0 1 240.372 2.177 20 0 BEADMN Cc1n[nH]c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1C ZINC000893929373 583250123 /nfs/dbraw/zinc/25/01/23/583250123.db2.gz PJZFJBOWBRBQHH-GFCCVEGCSA-N 0 1 249.358 2.027 20 0 BEADMN COc1ccc(C[N@H+]2CCSC[C@H](C)C2)o1 ZINC000894007485 583270558 /nfs/dbraw/zinc/27/05/58/583270558.db2.gz FCRMQXXDCVQIGA-SNVBAGLBSA-N 0 1 241.356 2.473 20 0 BEADMN CC[C@H]1CN(Cc2ccc(SC)o2)C[C@@H]1O ZINC000894095386 583300069 /nfs/dbraw/zinc/30/00/69/583300069.db2.gz QSZQLZDDBNSKSV-ONGXEEELSA-N 0 1 241.356 2.204 20 0 BEADMN CCCn1cc(CN(C)C[C@H]2CC=CCC2)nn1 ZINC000877307318 583311343 /nfs/dbraw/zinc/31/13/43/583311343.db2.gz GDDJLXUIRMMIDT-ZDUSSCGKSA-N 0 1 248.374 2.476 20 0 BEADMN Cc1c(NCc2cnc[nH]2)cccc1N(C)C ZINC000894137716 583314323 /nfs/dbraw/zinc/31/43/23/583314323.db2.gz UFYIYUGXWDHUKG-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN COCCOc1ccc(CN2[C@H](C)C[C@H]2C)o1 ZINC000894140492 583316093 /nfs/dbraw/zinc/31/60/93/583316093.db2.gz REMVNNSELUUCKP-GHMZBOCLSA-N 0 1 239.315 2.288 20 0 BEADMN COc1cc(CNCc2c[nH]cn2)ccc1C ZINC000894207650 583353635 /nfs/dbraw/zinc/35/36/35/583353635.db2.gz VAHRJDONQXYCIV-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN C=C/C=C\CCN1CCN(c2nccs2)CC1 ZINC000877928726 583354250 /nfs/dbraw/zinc/35/42/50/583354250.db2.gz GQHMPJPZXWLBLA-ARJAWSKDSA-N 0 1 249.383 2.397 20 0 BEADMN CCC1(CC)CCCN(CN2CCC2=O)C1 ZINC000857237635 588900811 /nfs/dbraw/zinc/90/08/11/588900811.db2.gz YARSHUWSWNEKTI-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CC[C@@H](O)[C@H]1CCCCN1Cc1nocc1C ZINC000878120487 583362063 /nfs/dbraw/zinc/36/20/63/583362063.db2.gz LXBLADPSQPWNMH-CHWSQXEVSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1noc([C@@H](C)NCC2CC(C)C2)n1 ZINC000857246841 588901047 /nfs/dbraw/zinc/90/10/47/588901047.db2.gz IZUZUZBQPWQKHG-CCNFQMFXSA-N 0 1 209.293 2.075 20 0 BEADMN Cc1nnc([C@H](C)NCC2CC(C)C2)o1 ZINC000857246619 588901537 /nfs/dbraw/zinc/90/15/37/588901537.db2.gz DQUSPEWZQULQJK-ZCUBBSJVSA-N 0 1 209.293 2.075 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000878333885 583370223 /nfs/dbraw/zinc/37/02/23/583370223.db2.gz IFFSLAXPBGZRJE-RXNFCKPNSA-N 0 1 232.331 2.084 20 0 BEADMN C=C/C=C\CCN1CCC[C@H]1c1nncn1C ZINC000878333885 583370225 /nfs/dbraw/zinc/37/02/25/583370225.db2.gz IFFSLAXPBGZRJE-RXNFCKPNSA-N 0 1 232.331 2.084 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000878333886 583370381 /nfs/dbraw/zinc/37/03/81/583370381.db2.gz IFFSLAXPBGZRJE-ZYOFXKKJSA-N 0 1 232.331 2.084 20 0 BEADMN C=C/C=C/CCN1CCC[C@@H]1c1nncn1C ZINC000878333886 583370383 /nfs/dbraw/zinc/37/03/83/583370383.db2.gz IFFSLAXPBGZRJE-ZYOFXKKJSA-N 0 1 232.331 2.084 20 0 BEADMN COc1ccc(CN[C@H]2CSC2(C)C)o1 ZINC000894281015 583408054 /nfs/dbraw/zinc/40/80/54/583408054.db2.gz NJWLNRLDTPMGHP-VIFPVBQESA-N 0 1 227.329 2.272 20 0 BEADMN C=C/C=C\CCN1CC2CC1(C(=O)OCC)C2 ZINC000878992893 583416348 /nfs/dbraw/zinc/41/63/48/583416348.db2.gz FETOXALMVCUTJV-WAYWQWQTSA-N 0 1 235.327 2.146 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)CN1CN1CCC1=O ZINC000857232570 588897950 /nfs/dbraw/zinc/89/79/50/588897950.db2.gz FUKAFUSSZXBEKV-GXTWGEPZSA-N 0 1 244.338 2.054 20 0 BEADMN Clc1ccc2c(c1)[C@H](NCc1cnc[nH]1)CO2 ZINC000894333597 583426215 /nfs/dbraw/zinc/42/62/15/583426215.db2.gz OYWBPLFYDNXJRB-LLVKDONJSA-N 0 1 249.701 2.286 20 0 BEADMN CCC1(CC)CCN(CN2CCC2=O)CC1 ZINC000857234487 588898595 /nfs/dbraw/zinc/89/85/95/588898595.db2.gz KXEISZPSYXERAG-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN O=C1CCN1CN1CCCC[C@@H]1c1ccccc1 ZINC000857234705 588899517 /nfs/dbraw/zinc/89/95/17/588899517.db2.gz TUEZHDWJKZHPMQ-CQSZACIVSA-N 0 1 244.338 2.403 20 0 BEADMN CCOc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)o1 ZINC000894398535 583448883 /nfs/dbraw/zinc/44/88/83/583448883.db2.gz SUXWRRCICCRRNQ-KLPPZKSPSA-N 0 1 239.315 2.288 20 0 BEADMN CCC(CC)CCCN(C)CN1CCC1=O ZINC000857235890 588899581 /nfs/dbraw/zinc/89/95/81/588899581.db2.gz BPKCYRHLQKFREZ-UHFFFAOYSA-N 0 1 226.364 2.324 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccnn1C1CCC1 ZINC000894434563 583459264 /nfs/dbraw/zinc/45/92/64/583459264.db2.gz GQPYVJMFLJYNGD-LLVKDONJSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1nonc1CNC[C@@H]1CCc2ccccc21 ZINC000894463107 583465697 /nfs/dbraw/zinc/46/56/97/583465697.db2.gz DXINOABGNHCABF-LBPRGKRZSA-N 0 1 243.310 2.198 20 0 BEADMN CCOc1ccc(CNCC2=CCCOC2)o1 ZINC000894513664 583475995 /nfs/dbraw/zinc/47/59/95/583475995.db2.gz MJBMKDZQFMAFHF-UHFFFAOYSA-N 0 1 237.299 2.115 20 0 BEADMN O=c1[nH]c2cccc(CN3CC(C4CC4)C3)c2o1 ZINC000894567794 583485041 /nfs/dbraw/zinc/48/50/41/583485041.db2.gz YGSDCKYQAISUCX-UHFFFAOYSA-N 0 1 244.294 2.375 20 0 BEADMN Cc1n[nH]c(CN2CCC=C(C)C2)c1C ZINC000894650958 583500298 /nfs/dbraw/zinc/50/02/98/583500298.db2.gz WZGUGFPDSVSZCN-UHFFFAOYSA-N 0 1 205.305 2.179 20 0 BEADMN FCC(CF)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000894668746 583503406 /nfs/dbraw/zinc/50/34/06/583503406.db2.gz WFOZKZMAZNREOD-ILWJIGKKSA-N 0 1 203.276 2.462 20 0 BEADMN COc1cncc(CN2CCC[C@H](CF)C2)c1 ZINC000880237696 583506406 /nfs/dbraw/zinc/50/64/06/583506406.db2.gz FMRUVMMRVOFKOC-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN COc1ccc(CN2CC[C@H](SC)C2)o1 ZINC000894691853 583507570 /nfs/dbraw/zinc/50/75/70/583507570.db2.gz IHBWFOAYXRWLIU-JTQLQIEISA-N 0 1 227.329 2.226 20 0 BEADMN COc1ccc(CN2CC[C@@H](SC)C2)o1 ZINC000894691854 583508053 /nfs/dbraw/zinc/50/80/53/583508053.db2.gz IHBWFOAYXRWLIU-SNVBAGLBSA-N 0 1 227.329 2.226 20 0 BEADMN Cc1ncoc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000894776269 583516577 /nfs/dbraw/zinc/51/65/77/583516577.db2.gz FOUHLOHOGMDWFL-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccc(OC)o1 ZINC000894784585 583521339 /nfs/dbraw/zinc/52/13/39/583521339.db2.gz OVQOATDNOJYWQK-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@H]1Oc2ccccc2[C@@H]1NCc1cnc[nH]1 ZINC000894786374 583521829 /nfs/dbraw/zinc/52/18/29/583521829.db2.gz HDOREMZZZKJRDR-NOZJJQNGSA-N 0 1 229.283 2.022 20 0 BEADMN CCC1CN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000894813945 583524414 /nfs/dbraw/zinc/52/44/14/583524414.db2.gz WSKZNGFHGLHLFD-UHFFFAOYSA-N 0 1 232.283 2.375 20 0 BEADMN Cc1cc(N)nc(N2CCCC3(CC3)CC2)n1 ZINC000894817886 583524519 /nfs/dbraw/zinc/52/45/19/583524519.db2.gz YRNIRUZLPLYNEH-UHFFFAOYSA-N 0 1 232.331 2.138 20 0 BEADMN CSc1ccc(CN2CC[C@@H](O)C2(C)C)o1 ZINC000894816826 583525589 /nfs/dbraw/zinc/52/55/89/583525589.db2.gz WRBVAYFFFWZKAX-SNVBAGLBSA-N 0 1 241.356 2.347 20 0 BEADMN CC(C)[C@H]1N(Cc2c[nH]cn2)CC12CCC2 ZINC000894831546 583528427 /nfs/dbraw/zinc/52/84/27/583528427.db2.gz AQEPMXLXWHJZLN-GFCCVEGCSA-N 0 1 219.332 2.420 20 0 BEADMN CCCn1nccc1CN1C[C@@H](C)[C@H]1C ZINC000894861725 583535113 /nfs/dbraw/zinc/53/51/13/583535113.db2.gz NTRVXUMRINJXEJ-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN C[C@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@H]1C ZINC000894861484 583536140 /nfs/dbraw/zinc/53/61/40/583536140.db2.gz ILDZZCZPMSSGAL-IUCAKERBSA-N 0 1 233.267 2.226 20 0 BEADMN CSc1ccc(CN2CCC[C@@H](O)CC2)o1 ZINC000894866307 583538029 /nfs/dbraw/zinc/53/80/29/583538029.db2.gz PEXNOBCWQNCFJG-SNVBAGLBSA-N 0 1 241.356 2.348 20 0 BEADMN c1cc2c(c(CN3C[C@@H]4C[C@H]3CS4)c1)OCC2 ZINC000894867423 583538600 /nfs/dbraw/zinc/53/86/00/583538600.db2.gz OUYKVNFPZCFCCO-STQMWFEESA-N 0 1 247.363 2.311 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1ocnc1C)OC ZINC000894873607 583541106 /nfs/dbraw/zinc/54/11/06/583541106.db2.gz KHJIBMIFZASWGI-MWLCHTKSSA-N 0 1 226.320 2.134 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C\Cl)C1CCCC1 ZINC000215337772 583549393 /nfs/dbraw/zinc/54/93/93/583549393.db2.gz NXIYGHATJXFGOB-UTCJRWHESA-N 0 1 217.696 2.068 20 0 BEADMN CCCc1ncc(CN[C@@H]2COCC2(C)C)o1 ZINC000894916346 583555410 /nfs/dbraw/zinc/55/54/10/583555410.db2.gz GDHDAIIDOYNQHW-LLVKDONJSA-N 0 1 238.331 2.142 20 0 BEADMN COC1([C@@H](C)NCc2nccn2C2CC2)CCC1 ZINC000894922327 583556610 /nfs/dbraw/zinc/55/66/10/583556610.db2.gz PUGABFJCJNFQFL-LLVKDONJSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1ncoc1CNCCOCC1CCCC1 ZINC000894966510 583559671 /nfs/dbraw/zinc/55/96/71/583559671.db2.gz LRGGRINCDFUOHK-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN CCC(C)(C)OCCNCc1ocnc1C ZINC000894969967 583560414 /nfs/dbraw/zinc/56/04/14/583560414.db2.gz OEWJCXDRHCKXDQ-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1ncoc1CNC(C)(C)COC(C)C ZINC000895000602 583567619 /nfs/dbraw/zinc/56/76/19/583567619.db2.gz CEOJXPSVJSTFEQ-UHFFFAOYSA-N 0 1 226.320 2.276 20 0 BEADMN FC(F)(F)CCN[C@@H]1CCCc2c[nH]nc21 ZINC000857856271 588913692 /nfs/dbraw/zinc/91/36/92/588913692.db2.gz HYBGBUFHHPBXBV-MRVPVSSYSA-N 0 1 233.237 2.329 20 0 BEADMN Cc1c(NCc2cnc[nH]2)n[nH]c1C(C)C ZINC000895079969 583582764 /nfs/dbraw/zinc/58/27/64/583582764.db2.gz YKPAJZMEPXFIBH-UHFFFAOYSA-N 0 1 219.292 2.177 20 0 BEADMN Cc1[nH]nc(CN2C[C@@H](C)OC3(CCC3)C2)c1C ZINC000895082794 583583331 /nfs/dbraw/zinc/58/33/31/583583331.db2.gz HFXDMVJWWHKSPL-SNVBAGLBSA-N 0 1 249.358 2.170 20 0 BEADMN Cc1ncoc1CN1CCC[C@@H](OC(C)C)C1 ZINC000895135000 583601959 /nfs/dbraw/zinc/60/19/59/583601959.db2.gz OXPHWURAWMKJOJ-GFCCVEGCSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)OCC23CCC3)c1C ZINC000895141442 583603296 /nfs/dbraw/zinc/60/32/96/583603296.db2.gz AJFPUMAIWYKFKS-JTQLQIEISA-N 0 1 249.358 2.170 20 0 BEADMN CN(C)c1cc(F)cc(NCc2cnc[nH]2)c1 ZINC000895176580 583616060 /nfs/dbraw/zinc/61/60/60/583616060.db2.gz QQMHCUOQYWEVCU-UHFFFAOYSA-N 0 1 234.278 2.227 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC000882486343 583617871 /nfs/dbraw/zinc/61/78/71/583617871.db2.gz QHSZRGHXVMIICV-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN FCCn1cc(N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000857871343 588917151 /nfs/dbraw/zinc/91/71/51/588917151.db2.gz ODOLFOIPYKAPAY-NSHDSACASA-N 0 1 249.293 2.065 20 0 BEADMN Cc1[nH]nc(CN2CCO[C@@](C)(C3CC3)C2)c1C ZINC000895231249 583628979 /nfs/dbraw/zinc/62/89/79/583628979.db2.gz QCYVZGHNHJKUNO-CQSZACIVSA-N 0 1 249.358 2.027 20 0 BEADMN COc1ncccc1CN1[C@H](C)C[C@H]1C ZINC000335756882 583630786 /nfs/dbraw/zinc/63/07/86/583630786.db2.gz QWJWPFMNLZRVRA-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN CC1=NO[C@H](CNCc2cccc(C)c2F)C1 ZINC000895305909 583643813 /nfs/dbraw/zinc/64/38/13/583643813.db2.gz ZXRVGGRIIABIHW-LBPRGKRZSA-N 0 1 236.290 2.389 20 0 BEADMN CC1=NO[C@H](CNCc2cc(F)cc(F)c2)C1 ZINC000895309874 583646600 /nfs/dbraw/zinc/64/66/00/583646600.db2.gz WMGZGLAHGQERQN-LBPRGKRZSA-N 0 1 240.253 2.219 20 0 BEADMN CCOc1ccccc1CNC[C@@H]1CC(C)=NO1 ZINC000895311792 583647308 /nfs/dbraw/zinc/64/73/08/583647308.db2.gz RMVCVPPDLCPNNP-ZDUSSCGKSA-N 0 1 248.326 2.340 20 0 BEADMN CCc1ccc(C)nc1N[C@H](C)COC(C)=O ZINC000895329385 583651597 /nfs/dbraw/zinc/65/15/97/583651597.db2.gz DYEMAKUBXFLGHO-SNVBAGLBSA-N 0 1 236.315 2.316 20 0 BEADMN CCc1onc(C)c1CN[C@@H]1C=CCC1 ZINC000895337753 583653916 /nfs/dbraw/zinc/65/39/16/583653916.db2.gz LCXGUDBWINSRCF-SNVBAGLBSA-N 0 1 206.289 2.354 20 0 BEADMN COc1nccc(CN[C@@H]2C=CCC2)c1F ZINC000895338647 583654100 /nfs/dbraw/zinc/65/41/00/583654100.db2.gz UEZYYOWMALBMLM-SNVBAGLBSA-N 0 1 222.263 2.038 20 0 BEADMN CCOc1ccc(NCc2cnc[nH]2)nc1C ZINC000895340035 583654306 /nfs/dbraw/zinc/65/43/06/583654306.db2.gz FKRGTCXOIBFDAH-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN Cc1[nH]nc(CN(C)c2cccc(O)c2)c1C ZINC000895358126 583658424 /nfs/dbraw/zinc/65/84/24/583658424.db2.gz ULSGHIGNTVSZDE-UHFFFAOYSA-N 0 1 231.299 2.369 20 0 BEADMN COCc1ccc(NCc2cnc[nH]2)cc1OC ZINC000895412518 583666361 /nfs/dbraw/zinc/66/63/61/583666361.db2.gz YBMRKHHSYCVWEA-UHFFFAOYSA-N 0 1 247.298 2.177 20 0 BEADMN C(N[C@H]1[C@@H]2CCC[C@@H]21)c1nnc(C2CC2)s1 ZINC000895433309 583671987 /nfs/dbraw/zinc/67/19/87/583671987.db2.gz IRKFPRGBYBXJND-JZYVYDRUSA-N 0 1 235.356 2.304 20 0 BEADMN Cc1ccnc(N)c1CN[C@@H]1CCCC[C@@H]1F ZINC000895440681 583675487 /nfs/dbraw/zinc/67/54/87/583675487.db2.gz TVYHBSUOVDYNDN-NWDGAFQWSA-N 0 1 237.322 2.343 20 0 BEADMN Cc1ccnc(N)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000895449304 583676034 /nfs/dbraw/zinc/67/60/34/583676034.db2.gz GKNYGMACCUWRTJ-RKDXNWHRSA-N 0 1 245.248 2.013 20 0 BEADMN CCONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000895526208 583684644 /nfs/dbraw/zinc/68/46/44/583684644.db2.gz IDNWXVPYNFOZSJ-CYBMUJFWSA-N 0 1 248.326 2.423 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCC(C)(C)CO1 ZINC000895529824 583684906 /nfs/dbraw/zinc/68/49/06/583684906.db2.gz XDPYFDNXSDFQPD-NSHDSACASA-N 0 1 238.331 2.278 20 0 BEADMN O=C(c1ccc(F)cc1O)N1C2CCC1CC2 ZINC000398884296 583686586 /nfs/dbraw/zinc/68/65/86/583686586.db2.gz WCKPPZZTKZFAJJ-UHFFFAOYSA-N 0 1 235.258 2.298 20 0 BEADMN COCc1ccc(CN2CCC(F)CC2)o1 ZINC000895547101 583686760 /nfs/dbraw/zinc/68/67/60/583686760.db2.gz LOCAVACDAGJVSS-UHFFFAOYSA-N 0 1 227.279 2.360 20 0 BEADMN CCc1ncc(CN2CCC[C@@H](CF)C2)cn1 ZINC000895543436 583688612 /nfs/dbraw/zinc/68/86/12/583688612.db2.gz BEJDRKPPZIMTPG-NSHDSACASA-N 0 1 237.322 2.221 20 0 BEADMN Cc1ncc(CN2CCC[C@H](CF)C2)o1 ZINC000895545001 583689372 /nfs/dbraw/zinc/68/93/72/583689372.db2.gz QVOUEWQRBQXBNA-SNVBAGLBSA-N 0 1 212.268 2.165 20 0 BEADMN COc1ncc(CN2CCC[C@H](CF)C2)s1 ZINC000895545741 583689754 /nfs/dbraw/zinc/68/97/54/583689754.db2.gz WQPOURPSMYSTMK-SECBINFHSA-N 0 1 244.335 2.333 20 0 BEADMN CCn1cncc1CN1CCC[C@H](CF)C1 ZINC000895545674 583690066 /nfs/dbraw/zinc/69/00/66/583690066.db2.gz VBVJGYXAIIZSMY-LLVKDONJSA-N 0 1 225.311 2.085 20 0 BEADMN CCn1nc(C)c(C[N@H+]2CC[C@@H](CF)C2)c1C ZINC000895576530 583693653 /nfs/dbraw/zinc/69/36/53/583693653.db2.gz ZYCMRMZKMPNISY-LBPRGKRZSA-N 0 1 239.338 2.311 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCN1C ZINC000895630127 583698308 /nfs/dbraw/zinc/69/83/08/583698308.db2.gz UYJUVQHUXDOPOX-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1Cl ZINC000895653570 583701121 /nfs/dbraw/zinc/70/11/21/583701121.db2.gz NPBWPJPTZBVDDD-AAEUAGOBSA-N 0 1 237.730 2.215 20 0 BEADMN Cc1cc(F)ncc1CNCC(C)(C)F ZINC000895692011 583708065 /nfs/dbraw/zinc/70/80/65/583708065.db2.gz UKYKLXNNPPOORK-UHFFFAOYSA-N 0 1 214.259 2.367 20 0 BEADMN C[C@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895727113 583713444 /nfs/dbraw/zinc/71/34/44/583713444.db2.gz NTBGGOBENWWHGR-BQBZGAKWSA-N 0 1 231.246 2.285 20 0 BEADMN CSC1(CN[C@H](C)c2ncco2)CC1 ZINC000895766579 583719100 /nfs/dbraw/zinc/71/91/00/583719100.db2.gz SRMLJIIAIQWNKG-MRVPVSSYSA-N 0 1 212.318 2.221 20 0 BEADMN C[C@H](N[C@H]1CSC[C@H]1C)c1ncco1 ZINC000895764497 583722390 /nfs/dbraw/zinc/72/23/90/583722390.db2.gz HNWGNRLMCUNVFK-VGMNWLOBSA-N 0 1 212.318 2.077 20 0 BEADMN CN1CC[C@@H]1CNc1ccc(C(F)(F)F)nc1 ZINC000895768081 583723042 /nfs/dbraw/zinc/72/30/42/583723042.db2.gz VWHKWJAGSQFCAW-SECBINFHSA-N 0 1 245.248 2.216 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncco1)[C@H]1CCCOC1 ZINC000895764887 583723244 /nfs/dbraw/zinc/72/32/44/583723244.db2.gz KHLILRVMUGCZMK-VWYCJHECSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncco1)[C@@H]1CCCOC1 ZINC000895764886 583723367 /nfs/dbraw/zinc/72/33/67/583723367.db2.gz KHLILRVMUGCZMK-OUAUKWLOSA-N 0 1 224.304 2.140 20 0 BEADMN Cc1cccc2ncnc(NC[C@H]3CC[N@@H+]3C)c12 ZINC000895770980 583724839 /nfs/dbraw/zinc/72/48/39/583724839.db2.gz FHVXXOWFWBBPIW-LLVKDONJSA-N 0 1 242.326 2.054 20 0 BEADMN Cc1cccc2ncnc(NC[C@H]3CCN3C)c12 ZINC000895770980 583724840 /nfs/dbraw/zinc/72/48/40/583724840.db2.gz FHVXXOWFWBBPIW-LLVKDONJSA-N 0 1 242.326 2.054 20 0 BEADMN Cc1cc2c(ncnc2NC[C@@H]2CCN2C)s1 ZINC000895770639 583724969 /nfs/dbraw/zinc/72/49/69/583724969.db2.gz QQJZGFVGIUUYKL-VIFPVBQESA-N 0 1 248.355 2.116 20 0 BEADMN Cc1ncoc1CNC[C@H]1CC2(CCC2)CO1 ZINC000895789637 583727641 /nfs/dbraw/zinc/72/76/41/583727641.db2.gz OJZJWDPZJMIQMT-LLVKDONJSA-N 0 1 236.315 2.032 20 0 BEADMN C[C@H](CNC(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000895869617 583738415 /nfs/dbraw/zinc/73/84/15/583738415.db2.gz GIEKXGNHWPMPMW-PWSUYJOCSA-N 0 1 238.375 2.022 20 0 BEADMN CN(CCCF)Cc1cn2cccc(F)c2n1 ZINC000895898472 583741218 /nfs/dbraw/zinc/74/12/18/583741218.db2.gz UBNQQYYSJUTFRS-UHFFFAOYSA-N 0 1 239.269 2.265 20 0 BEADMN Cc1cc(CN(C)CCCF)sn1 ZINC000895896685 583744748 /nfs/dbraw/zinc/74/47/48/583744748.db2.gz YYEIWDHGLWTGHT-UHFFFAOYSA-N 0 1 202.298 2.243 20 0 BEADMN COCC1CN(C/C=C/c2cccc(F)c2)C1 ZINC000895976249 583753413 /nfs/dbraw/zinc/75/34/13/583753413.db2.gz MUEFDCVYHMNISB-HWKANZROSA-N 0 1 235.302 2.417 20 0 BEADMN COCC1CN(C/C=C/c2ccc(F)cc2)C1 ZINC000895971941 583755895 /nfs/dbraw/zinc/75/58/95/583755895.db2.gz YEQDJRNXKNWDPY-NSCUHMNNSA-N 0 1 235.302 2.417 20 0 BEADMN COCC1CN(C/C=C/c2ccccc2)C1 ZINC000895971195 583756337 /nfs/dbraw/zinc/75/63/37/583756337.db2.gz NOVOCYBAAWJTOK-VMPITWQZSA-N 0 1 217.312 2.278 20 0 BEADMN CCC/C(C)=C\C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000727742267 583759816 /nfs/dbraw/zinc/75/98/16/583759816.db2.gz GYALFIHDQSRCLL-UCQJPZFISA-N 0 1 238.375 2.332 20 0 BEADMN C[C@H](NC1CC2(C1)CO[C@@H](C)C2)c1ncco1 ZINC000896046893 583765854 /nfs/dbraw/zinc/76/58/54/583765854.db2.gz YXOPSHKICGPNRC-QKIYJJFGSA-N 0 1 236.315 2.283 20 0 BEADMN COC1CCC(CN[C@@H](C)C(F)F)CC1 ZINC000896038745 583766063 /nfs/dbraw/zinc/76/60/63/583766063.db2.gz XPUXHTNBUOPHTD-IDKOKCKLSA-N 0 1 221.291 2.435 20 0 BEADMN CCC[C@@H](O)CCNc1ccnc(C)c1Cl ZINC000896187371 583780891 /nfs/dbraw/zinc/78/08/91/583780891.db2.gz OGWYOMIPWSKCCA-SNVBAGLBSA-N 0 1 242.750 2.428 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896289726 583789293 /nfs/dbraw/zinc/78/92/93/583789293.db2.gz FISRTDDZVYFMAH-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](N[C@@H]1CCC12CCOCC2)C(F)F ZINC000883400841 583794679 /nfs/dbraw/zinc/79/46/79/583794679.db2.gz WNJWXJIEOWBQDU-RKDXNWHRSA-N 0 1 219.275 2.189 20 0 BEADMN C[C@@H]1CC(NC(=O)[C@@H]2CCCN2C)C[C@@H](C)C1 ZINC000896518032 583808152 /nfs/dbraw/zinc/80/81/52/583808152.db2.gz NPSJHSBTEFKUDY-GVXVVHGQSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CC(NC(=O)[C@H]2CCCN2C)C[C@@H](C)C1 ZINC000896518031 583808547 /nfs/dbraw/zinc/80/85/47/583808547.db2.gz NPSJHSBTEFKUDY-GMXVVIOVSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ccc(CN2CCO[C@H](C)CC2)o1 ZINC000896586213 583815395 /nfs/dbraw/zinc/81/53/95/583815395.db2.gz XRYIUZLYWBTPQV-SNVBAGLBSA-N 0 1 209.289 2.199 20 0 BEADMN COCc1ccc(CN2CCO[C@H](C)CC2)o1 ZINC000896583340 583815518 /nfs/dbraw/zinc/81/55/18/583815518.db2.gz FQDTXIYXVFUUOO-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN CCC[C@@H](CN[C@H](c1ncccn1)C1CC1)OC ZINC000896598266 583816805 /nfs/dbraw/zinc/81/68/05/583816805.db2.gz GNQVXHFUBVSGIV-STQMWFEESA-N 0 1 249.358 2.332 20 0 BEADMN c1ccc([C@@H](NC2CSC2)C2CC2)nc1 ZINC000896612954 583817143 /nfs/dbraw/zinc/81/71/43/583817143.db2.gz QKDZNCIHWHXGSV-LBPRGKRZSA-N 0 1 220.341 2.238 20 0 BEADMN C[C@@H]1CSC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000896600408 583817160 /nfs/dbraw/zinc/81/71/60/583817160.db2.gz XFSAWNZQWIRZQD-YUSALJHKSA-N 0 1 249.383 2.269 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccnc(F)c1 ZINC000858126134 588934233 /nfs/dbraw/zinc/93/42/33/588934233.db2.gz UKKOGECZVVFZLJ-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN CO[C@@](C)(CN1CCn2cccc2C1)C1CC1 ZINC000896760727 583831105 /nfs/dbraw/zinc/83/11/05/583831105.db2.gz FFEADYXJIDIMOG-AWEZNQCLSA-N 0 1 234.343 2.119 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)[C@H]1C ZINC000896837772 583838633 /nfs/dbraw/zinc/83/86/33/583838633.db2.gz JNUUEXJIYIHTMC-WOPDTQHZSA-N 0 1 238.375 2.116 20 0 BEADMN C/C(=C/C(=O)NCCCc1cn[nH]c1C)C1CC1 ZINC000728070251 583847142 /nfs/dbraw/zinc/84/71/42/583847142.db2.gz IZPVNSVJJJWIDQ-NTMALXAHSA-N 0 1 247.342 2.123 20 0 BEADMN Cc1nc(CNC(=O)C=C2CC[C@H](C)C2)[nH]c1C ZINC000896916366 583854888 /nfs/dbraw/zinc/85/48/88/583854888.db2.gz DEWCTYRHERZCCG-PPLKPFPSSA-N 0 1 247.342 2.389 20 0 BEADMN CCO[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000897070948 583877377 /nfs/dbraw/zinc/87/73/77/583877377.db2.gz KKCSYEHRSVZPHW-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(CC)s2)C1 ZINC000897067967 583877445 /nfs/dbraw/zinc/87/74/45/583877445.db2.gz GJVIQQBCOIWTJB-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CC(C)C[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC000897165594 583886765 /nfs/dbraw/zinc/88/67/65/583886765.db2.gz ZULKWCBMXHYXRJ-VIFPVBQESA-N 0 1 246.314 2.122 20 0 BEADMN S=c1ncccn1CN1CCC[C@@H]1C1CC1 ZINC000728559441 583897774 /nfs/dbraw/zinc/89/77/74/583897774.db2.gz HQUDMHONWNTCDE-LLVKDONJSA-N 0 1 235.356 2.444 20 0 BEADMN COCCCCOC(=O)c1cccc2[nH]ncc21 ZINC000728768166 583907810 /nfs/dbraw/zinc/90/78/10/583907810.db2.gz RIOKNEAOBBDNIY-UHFFFAOYSA-N 0 1 248.282 2.146 20 0 BEADMN O=C1[C@@H]2CCCCCCC2=NN1c1cnccn1 ZINC000871943716 583943790 /nfs/dbraw/zinc/94/37/90/583943790.db2.gz QPSWCHBJJSEGES-SNVBAGLBSA-N 0 1 244.298 2.150 20 0 BEADMN CC1(C)CCc2c([nH]n(C3CC3)c2=O)C1 ZINC000871958804 583944101 /nfs/dbraw/zinc/94/41/01/583944101.db2.gz KCTQEXBWEGWVSS-VIFPVBQESA-N 0 1 206.289 2.173 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729091359 583955675 /nfs/dbraw/zinc/95/56/75/583955675.db2.gz FAYKGIXHGWTKMU-IUCAKERBSA-N 0 1 246.266 2.483 20 0 BEADMN CCC/C(C)=C/C(=O)Nc1nc(SC)n[nH]1 ZINC000729352594 583993645 /nfs/dbraw/zinc/99/36/45/583993645.db2.gz SEHIQPBQHJFOJU-VOTSOKGWSA-N 0 1 240.332 2.212 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000864052640 583999495 /nfs/dbraw/zinc/99/94/95/583999495.db2.gz AKKVPUVFJBULBP-ZWNOBZJWSA-N 0 1 238.306 2.220 20 0 BEADMN Cl/C=C\C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932028 584030212 /nfs/dbraw/zinc/03/02/12/584030212.db2.gz SXKNIFONDUNLMI-CJHWANRJSA-N 0 1 225.723 2.273 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000897683718 584040406 /nfs/dbraw/zinc/04/04/06/584040406.db2.gz RMTFRXMCQVFUDS-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000897683718 584040407 /nfs/dbraw/zinc/04/04/07/584040407.db2.gz RMTFRXMCQVFUDS-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CCC1(C)C ZINC000897759295 584044444 /nfs/dbraw/zinc/04/44/44/584044444.db2.gz XROLFKSFTBORBR-GHMZBOCLSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1[nH]ncc1CNc1cnn(C2CCC2)c1 ZINC000897875513 584056794 /nfs/dbraw/zinc/05/67/94/584056794.db2.gz HBUBAFDVDHNDLX-UHFFFAOYSA-N 0 1 231.303 2.252 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000897908045 584059997 /nfs/dbraw/zinc/05/99/97/584059997.db2.gz FMWZQLAWTKMROZ-NWDGAFQWSA-N 0 1 238.375 2.116 20 0 BEADMN CCC1(NC(=O)[C@@H]2CCN2C(C)(C)C)CCC1 ZINC000897949999 584063579 /nfs/dbraw/zinc/06/35/79/584063579.db2.gz QRUAKVWTSFIMIT-NSHDSACASA-N 0 1 238.375 2.308 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897959856 584067489 /nfs/dbraw/zinc/06/74/89/584067489.db2.gz WZHUURCJDWMRTO-QJPTWQEYSA-N 0 1 234.347 2.137 20 0 BEADMN CCCSC[C@H](C)NCc1cn(C)cn1 ZINC000898042456 584080343 /nfs/dbraw/zinc/08/03/43/584080343.db2.gz RJAMONGORCRXAN-JTQLQIEISA-N 0 1 227.377 2.041 20 0 BEADMN Cc1cccc(CN2CC[C@H](O)[C@@H](F)C2)c1C ZINC000898194818 584096161 /nfs/dbraw/zinc/09/61/61/584096161.db2.gz PJNGLTFYQPMVGJ-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN O[C@H](CCNCc1nc(Cl)cs1)C1CC1 ZINC000898197462 584097701 /nfs/dbraw/zinc/09/77/01/584097701.db2.gz GPYNLOPHDJVEOW-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2COC[C@H]2C2CC2)n1 ZINC000898375819 584113154 /nfs/dbraw/zinc/11/31/54/584113154.db2.gz HWFINWGIKSURNH-WCQYABFASA-N 0 1 249.358 2.048 20 0 BEADMN COC(=O)C1=CC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000858474566 588958595 /nfs/dbraw/zinc/95/85/95/588958595.db2.gz BNTZZDYTLVJBCG-GXSJLCMTSA-N 0 1 235.283 2.192 20 0 BEADMN CCn1ncnc1CNC1(C)C(C)(C)C1(C)C ZINC000898413220 584131401 /nfs/dbraw/zinc/13/14/01/584131401.db2.gz PTAADBJKEGNILJ-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN COc1nccnc1CNC1(C)C(C)(C)C1(C)C ZINC000898414512 584131696 /nfs/dbraw/zinc/13/16/96/584131696.db2.gz QHHFWUCFZLYGJL-UHFFFAOYSA-N 0 1 249.358 2.400 20 0 BEADMN CC(C)Cn1nccc1CNC/C=C/Cl ZINC000898428071 584133208 /nfs/dbraw/zinc/13/32/08/584133208.db2.gz GUQSIYIDDJAXOG-HWKANZROSA-N 0 1 227.739 2.381 20 0 BEADMN Cl/C=C\CNCc1ccnn1C1CCC1 ZINC000898429478 584133475 /nfs/dbraw/zinc/13/34/75/584133475.db2.gz UYZDCMCWAVCVEL-KXFIGUGUSA-N 0 1 225.723 2.450 20 0 BEADMN CCOC(=O)c1ccc(CNC/C=C/Cl)[nH]1 ZINC000898430141 584134013 /nfs/dbraw/zinc/13/40/13/584134013.db2.gz VKLKOCJCNURKHZ-ZZXKWVIFSA-N 0 1 242.706 2.034 20 0 BEADMN COC(=O)c1csc(CNC/C=C/Cl)c1 ZINC000898430125 584134117 /nfs/dbraw/zinc/13/41/17/584134117.db2.gz UYOAGSNGZPQOHL-NSCUHMNNSA-N 0 1 245.731 2.377 20 0 BEADMN Cn1cc(CNC/C=C\Cl)c(C(F)F)n1 ZINC000898430031 584134341 /nfs/dbraw/zinc/13/43/41/584134341.db2.gz SSDIMKAGXMUDCY-IHWYPQMZSA-N 0 1 235.665 2.200 20 0 BEADMN CCOc1cncc(CNC/C=C/Cl)c1 ZINC000898430159 584134579 /nfs/dbraw/zinc/13/45/79/584134579.db2.gz VWOAERAYPSNOKD-ONEGZZNKSA-N 0 1 226.707 2.322 20 0 BEADMN Cc1cccc2ncc(CNC/C=C/Cl)n21 ZINC000898435333 584135674 /nfs/dbraw/zinc/13/56/74/584135674.db2.gz HIETUUBYHCTERY-ZZXKWVIFSA-N 0 1 235.718 2.485 20 0 BEADMN FCCn1cc(N[C@H]2CCCc3[nH]ncc32)cn1 ZINC000858491531 588960087 /nfs/dbraw/zinc/96/00/87/588960087.db2.gz JQVFMJTVZRQVIM-NSHDSACASA-N 0 1 249.293 2.065 20 0 BEADMN CC(C)OCCC(=O)NOc1ccc(F)cc1 ZINC000898571745 584141998 /nfs/dbraw/zinc/14/19/98/584141998.db2.gz MXPREMYMLOQWQG-UHFFFAOYSA-N 0 1 241.262 2.051 20 0 BEADMN CC1(C(=O)NOc2ccc(F)cc2)CC1 ZINC000898573280 584142333 /nfs/dbraw/zinc/14/23/33/584142333.db2.gz KMIVVTPIYSFSKC-UHFFFAOYSA-N 0 1 209.220 2.036 20 0 BEADMN CCc1ccc(C)nc1NC(=O)c1[nH]cnc1C ZINC000898589002 584144084 /nfs/dbraw/zinc/14/40/84/584144084.db2.gz MQJJVHVZXRELEV-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCCCCCC(=O)N1CC(N2CCCC2)C1 ZINC000898614163 584147048 /nfs/dbraw/zinc/14/70/48/584147048.db2.gz LGXGLEFLLIMBRZ-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899107141 584175292 /nfs/dbraw/zinc/17/52/92/584175292.db2.gz DXGLCNVFYHPELP-NSHDSACASA-N 0 1 248.330 2.215 20 0 BEADMN CCn1cc(CN(CC2CC2)C2CCC2)nn1 ZINC000899095933 584175313 /nfs/dbraw/zinc/17/53/13/584175313.db2.gz QZJIKDPBFGSRJV-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN(CC2CCC2)C(C)C)nn1 ZINC000899247367 584187874 /nfs/dbraw/zinc/18/78/74/584187874.db2.gz DJILWCAAYKKTKI-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCC(CC)n1[nH]c(C2CCOCC2)cc1=O ZINC000899350676 584203643 /nfs/dbraw/zinc/20/36/43/584203643.db2.gz MDLSOVSKQLAXRH-UHFFFAOYSA-N 0 1 238.331 2.190 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc(F)c(F)c1 ZINC000899361133 584206986 /nfs/dbraw/zinc/20/69/86/584206986.db2.gz VLSWMCQOUOTGCF-UHFFFAOYSA-N 0 1 236.221 2.468 20 0 BEADMN Cc1[nH]n(-c2ccc(F)c(F)c2)c(=O)c1C ZINC000899359865 584207207 /nfs/dbraw/zinc/20/72/07/584207207.db2.gz BJEYDHDIWFSTHI-LURJTMIESA-N 0 1 224.210 2.323 20 0 BEADMN CC(C)c1cc(=O)n(C2C[C@@H](C)O[C@H](C)C2)[nH]1 ZINC000899360798 584207229 /nfs/dbraw/zinc/20/72/29/584207229.db2.gz PNSLNCIISKRKOG-NXEZZACHSA-N 0 1 238.331 2.187 20 0 BEADMN CC(C)c1cc(=O)n(C2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC000899360799 584207263 /nfs/dbraw/zinc/20/72/63/584207263.db2.gz PNSLNCIISKRKOG-UWVGGRQHSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1[nH]n(-c2c(F)cc(F)cc2F)c(=O)c1C ZINC000899362391 584207747 /nfs/dbraw/zinc/20/77/47/584207747.db2.gz RXRPQKVKTBKOHW-RXMQYKEDSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c1C ZINC000899410801 584213114 /nfs/dbraw/zinc/21/31/14/584213114.db2.gz DGSOXGVSIXTGTQ-IGCXTIMSSA-N 0 1 247.342 2.048 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c1C ZINC000899410802 584213218 /nfs/dbraw/zinc/21/32/18/584213218.db2.gz DGSOXGVSIXTGTQ-VKZDFBPFSA-N 0 1 247.342 2.048 20 0 BEADMN Cc1ccc(-n2cc([C@@H]3CCCCN3)nn2)cc1 ZINC000899683842 584224169 /nfs/dbraw/zinc/22/41/69/584224169.db2.gz XMVQJHXMFGHODE-ZDUSSCGKSA-N 0 1 242.326 2.390 20 0 BEADMN c1csc(Cn2cc([C@@H]3CCCCN3)nn2)c1 ZINC000899683131 584224555 /nfs/dbraw/zinc/22/45/55/584224555.db2.gz VDJSAMXCFNPTIS-NSHDSACASA-N 0 1 248.355 2.203 20 0 BEADMN Cc1ccc(Cn2cc([C@H]3CCCCN3)nn2)o1 ZINC000899703921 584226145 /nfs/dbraw/zinc/22/61/45/584226145.db2.gz GUKCFXLIUNNFPT-GFCCVEGCSA-N 0 1 246.314 2.042 20 0 BEADMN Cc1n[nH]c(C(=O)NC2CCC=CCC2)c1C ZINC000899804370 584239428 /nfs/dbraw/zinc/23/94/28/584239428.db2.gz LKBHNDBQTXRAMC-UHFFFAOYSA-N 0 1 233.315 2.255 20 0 BEADMN CCn1cc(CN2[C@H](C)CCC2(C)C)nn1 ZINC000899869553 584244292 /nfs/dbraw/zinc/24/42/92/584244292.db2.gz FDSAWASCWQSKSW-SNVBAGLBSA-N 0 1 222.336 2.061 20 0 BEADMN CCN(Cc1cccs1)C(=O)Cc1c[nH]cn1 ZINC000899980768 584261483 /nfs/dbraw/zinc/26/14/83/584261483.db2.gz IZKWMAYGLDXVHM-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN CC(C)Cc1noc(C23CCC(CC2)N3)n1 ZINC000900000046 584263757 /nfs/dbraw/zinc/26/37/57/584263757.db2.gz UNUQVTFLZCCFQO-UHFFFAOYSA-N 0 1 221.304 2.009 20 0 BEADMN NC1(c2noc(C[C@H]3CC=CCC3)n2)CCC1 ZINC000900008998 584264758 /nfs/dbraw/zinc/26/47/58/584264758.db2.gz SCPBITHVWTXXDU-JTQLQIEISA-N 0 1 233.315 2.306 20 0 BEADMN CC[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000900124090 584276096 /nfs/dbraw/zinc/27/60/96/584276096.db2.gz NWPLRHIFJLLGDT-CYBMUJFWSA-N 0 1 243.310 2.220 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900189275 584284739 /nfs/dbraw/zinc/28/47/39/584284739.db2.gz XFZRNHNNCSOUKP-PWSUYJOCSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H](c1cccs1)N(C)C(=O)Cc1c[nH]cn1 ZINC000900244981 584288719 /nfs/dbraw/zinc/28/87/19/584288719.db2.gz FHYIOBAZWJFKBF-VIFPVBQESA-N 0 1 249.339 2.233 20 0 BEADMN O=C(Cc1c[nH]cn1)N(C1CC1)C1CCCCC1 ZINC000900338969 584294394 /nfs/dbraw/zinc/29/43/94/584294394.db2.gz DGOLXYCPPFNMBV-UHFFFAOYSA-N 0 1 247.342 2.276 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC000900347519 584296326 /nfs/dbraw/zinc/29/63/26/584296326.db2.gz WCLXNUAGHJWYJD-RKDXNWHRSA-N 0 1 239.294 2.105 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCCN(c2cc(C)cc[nH+]2)C1 ZINC000900376780 584299158 /nfs/dbraw/zinc/29/91/58/584299158.db2.gz WYFZBJMRAMKGOE-CQSZACIVSA-N 0 1 248.326 2.471 20 0 BEADMN CCCC[C@H]1CCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900543170 584324185 /nfs/dbraw/zinc/32/41/85/584324185.db2.gz LUSVLCZRNVCAQF-WCQYABFASA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000900588186 584328895 /nfs/dbraw/zinc/32/88/95/584328895.db2.gz MXEFYEAAPYPUBM-GHMZBOCLSA-N 0 1 249.358 2.378 20 0 BEADMN CNCc1cn(CCCC2CCCCC2)nn1 ZINC000900629107 584333818 /nfs/dbraw/zinc/33/38/18/584333818.db2.gz QXWFKDZRQWYALR-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccccc2CF)nn1 ZINC000900643681 584338237 /nfs/dbraw/zinc/33/82/37/584338237.db2.gz RGIXATYALZEGHB-SNVBAGLBSA-N 0 1 248.305 2.076 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)Cc1c[nH]cn1 ZINC000900683891 584341351 /nfs/dbraw/zinc/34/13/51/584341351.db2.gz SHDHMJHBUCTGRE-UHFFFAOYSA-N 0 1 237.347 2.093 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000900851146 584357479 /nfs/dbraw/zinc/35/74/79/584357479.db2.gz AGLSPGWPQQUHEP-SDDRHHMPSA-N 0 1 247.342 2.037 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000900836525 584359306 /nfs/dbraw/zinc/35/93/06/584359306.db2.gz ORWGTQOUHPRCCM-CHWSQXEVSA-N 0 1 247.342 2.037 20 0 BEADMN CC[C@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000900973369 584369693 /nfs/dbraw/zinc/36/96/93/584369693.db2.gz DBJZAQLKYFNYLC-MRVPVSSYSA-N 0 1 233.271 2.086 20 0 BEADMN Cc1nc(CNC(=O)C=CC2CCCC2)[nH]c1C ZINC000901001015 584373101 /nfs/dbraw/zinc/37/31/01/584373101.db2.gz QLTMUYOQVATGOG-FPLPWBNLSA-N 0 1 247.342 2.389 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901116303 584386456 /nfs/dbraw/zinc/38/64/56/584386456.db2.gz CNWCWENLMMTZSY-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cc(Cc2nnc(NC3CCCC3)o2)[nH]n1 ZINC000901409191 584439960 /nfs/dbraw/zinc/43/99/60/584439960.db2.gz USJZWGIDSUEAJU-UHFFFAOYSA-N 0 1 247.302 2.046 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2c1CCC2 ZINC000901426222 584442397 /nfs/dbraw/zinc/44/23/97/584442397.db2.gz DYIXBOQMMCCFBT-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc2c(cccc2C)[nH]1 ZINC000901426603 584442476 /nfs/dbraw/zinc/44/24/76/584442476.db2.gz NHLZNWYZPCBPHX-UHFFFAOYSA-N 0 1 246.310 2.383 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1cnc(C(C)C)s1 ZINC000901424733 584442713 /nfs/dbraw/zinc/44/27/13/584442713.db2.gz RHKPQDRSIJXKHD-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cnc(C(C)C)s1 ZINC000901424733 584442715 /nfs/dbraw/zinc/44/27/15/584442715.db2.gz RHKPQDRSIJXKHD-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1C(C)=CCC[C@@H]1C ZINC000901426268 584442734 /nfs/dbraw/zinc/44/27/34/584442734.db2.gz FYDZZARTWBENGX-RYUDHWBXSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2[nH]ccc21 ZINC000901426352 584442766 /nfs/dbraw/zinc/44/27/66/584442766.db2.gz HANVVXHNQVKWGG-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)cs1 ZINC000901515576 584461556 /nfs/dbraw/zinc/46/15/56/584461556.db2.gz MZPUIQOEQPWVSC-NSHDSACASA-N 0 1 243.303 2.055 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCC=CO1 ZINC000901595194 584466573 /nfs/dbraw/zinc/46/65/73/584466573.db2.gz KSPNFGSGCKPYTH-LBPRGKRZSA-N 0 1 241.331 2.112 20 0 BEADMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)[O-])CC(C)C)OC ZINC000901585849 584467919 /nfs/dbraw/zinc/46/79/19/584467919.db2.gz AOTWGLUMKIPYMU-NWDGAFQWSA-N 0 1 245.363 2.090 20 0 BEADMN CSc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])o1 ZINC000901598773 584468439 /nfs/dbraw/zinc/46/84/39/584468439.db2.gz YDCLMRAUGNZUEV-MRVPVSSYSA-N 0 1 243.328 2.154 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC1CCC(F)(F)CC1 ZINC000901740165 584489164 /nfs/dbraw/zinc/48/91/64/584489164.db2.gz BSRKYWVBLGOREZ-MRVPVSSYSA-N 0 1 248.298 2.172 20 0 BEADMN CCCOC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000858981832 588988006 /nfs/dbraw/zinc/98/80/06/588988006.db2.gz MTUVICJHDSXCRW-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN CCc1ccc(C[NH2+][C@H](CC(F)F)C(=O)[O-])o1 ZINC000901810711 584498449 /nfs/dbraw/zinc/49/84/49/584498449.db2.gz BHWBMZNZSQBYIN-SECBINFHSA-N 0 1 247.241 2.040 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890480 584501644 /nfs/dbraw/zinc/50/16/44/584501644.db2.gz JWKRYSBMOHAGTB-GHMZBOCLSA-N 0 1 245.388 2.172 20 0 BEADMN CCc1ccc(C[NH2+][C@@](C)(CCF)C(=O)[O-])o1 ZINC000901916102 584503741 /nfs/dbraw/zinc/50/37/41/584503741.db2.gz SBGKGQKQMFNVGU-LBPRGKRZSA-N 0 1 243.278 2.135 20 0 BEADMN CCC[C@@H](C)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901900013 584505280 /nfs/dbraw/zinc/50/52/80/584505280.db2.gz KXZNMJLREJXUPL-KGYLQXTDSA-N 0 1 239.359 2.465 20 0 BEADMN COc1cccc(C)c1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901971179 584508918 /nfs/dbraw/zinc/50/89/18/584508918.db2.gz JOSDZXREVSCIGW-UHFFFAOYSA-N 0 1 249.310 2.053 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CCSCC1 ZINC000901989036 584510381 /nfs/dbraw/zinc/51/03/81/584510381.db2.gz OYJFMKOYVHIPJU-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cccc2[nH]c(C[N@H+](C)[C@H](C)C(=O)[O-])cc21 ZINC000901980507 584511652 /nfs/dbraw/zinc/51/16/52/584511652.db2.gz MNPBRUBLGHONJK-SNVBAGLBSA-N 0 1 246.310 2.381 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901980424 584511667 /nfs/dbraw/zinc/51/16/67/584511667.db2.gz UMCZMHFSJNRFRH-SDDRHHMPSA-N 0 1 225.332 2.384 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@@H](C(=O)[O-])C1 ZINC000902018910 584513755 /nfs/dbraw/zinc/51/37/55/584513755.db2.gz VLZCEUFDAMJPFU-ZYHUDNBSSA-N 0 1 249.310 2.077 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000902038843 584515526 /nfs/dbraw/zinc/51/55/26/584515526.db2.gz DOWQZWXANYADJM-NWDGAFQWSA-N 0 1 239.315 2.008 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000902038845 584515641 /nfs/dbraw/zinc/51/56/41/584515641.db2.gz DOWQZWXANYADJM-VXGBXAGGSA-N 0 1 239.315 2.008 20 0 BEADMN CC[C@@H]1CCCN1CN1Cc2ccccc2C1=O ZINC000902109834 584524277 /nfs/dbraw/zinc/52/42/77/584524277.db2.gz OZSHTAVTYLIDQI-CYBMUJFWSA-N 0 1 244.338 2.474 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902099495 584525176 /nfs/dbraw/zinc/52/51/76/584525176.db2.gz XHPNZHXUSFPRMT-UHFFFAOYSA-N 0 1 225.288 2.382 20 0 BEADMN CCn1ccnc1NCc1cncc(OC)c1C ZINC000902113357 584526764 /nfs/dbraw/zinc/52/67/64/584526764.db2.gz FYCHRARCJARJGO-UHFFFAOYSA-N 0 1 246.314 2.227 20 0 BEADMN CC(C)[C@@H]1CCCN(CN2CCOC2=O)CC1 ZINC000902149676 584530446 /nfs/dbraw/zinc/53/04/46/584530446.db2.gz JTMCZIFSSZEENK-GFCCVEGCSA-N 0 1 240.347 2.154 20 0 BEADMN C[C@H]1CC[N@@H+](CN2Cc3ccccc3C2=O)[C@H]1C ZINC000902168255 584534576 /nfs/dbraw/zinc/53/45/76/584534576.db2.gz CUIIGSRTNKAHAF-RYUDHWBXSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@H]1CCN(CN2Cc3ccccc3C2=O)[C@H]1C ZINC000902168255 584534577 /nfs/dbraw/zinc/53/45/77/584534577.db2.gz CUIIGSRTNKAHAF-RYUDHWBXSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902240203 584543688 /nfs/dbraw/zinc/54/36/88/584543688.db2.gz OAYCYJRIPIRAGQ-LWTINBJPSA-N 0 1 235.283 2.219 20 0 BEADMN CCCC(N)=NOC[C@H](COC)C(C)C ZINC000902245772 584546542 /nfs/dbraw/zinc/54/65/42/584546542.db2.gz PSKVFTLFBOHYOB-JTQLQIEISA-N 0 1 216.325 2.204 20 0 BEADMN Cc1cn[nH]c1CSC[C@@H]1CCCOC1 ZINC000902346544 584558102 /nfs/dbraw/zinc/55/81/02/584558102.db2.gz WIAIRIIYICNFBU-SNVBAGLBSA-N 0 1 226.345 2.378 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cc(Cl)n(C)n1 ZINC000859061720 588995774 /nfs/dbraw/zinc/99/57/74/588995774.db2.gz QYOLZWREVFGBAO-MRVPVSSYSA-N 0 1 227.739 2.304 20 0 BEADMN Cc1cn[nH]c1CSCc1cnoc1C ZINC000902423727 584593235 /nfs/dbraw/zinc/59/32/35/584593235.db2.gz GKPICHUGNPDWIY-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CCC1 ZINC000902518646 584630808 /nfs/dbraw/zinc/63/08/08/584630808.db2.gz PHDOZMBCFQUQRS-BQYQJAHWSA-N 0 1 235.283 2.362 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c(C)o1 ZINC000902554587 584633999 /nfs/dbraw/zinc/63/39/99/584633999.db2.gz KDEQJCBESXUQGF-XQQFMLRXSA-N 0 1 249.310 2.049 20 0 BEADMN CCCN(CC)Cc1cc(Cl)n(C)n1 ZINC000859095616 589001362 /nfs/dbraw/zinc/00/13/62/589001362.db2.gz VLJNZNKQTLUOBP-UHFFFAOYSA-N 0 1 215.728 2.305 20 0 BEADMN CCC[C@@H](CNCc1cn(CC)cn1)OCC ZINC000902623296 584645258 /nfs/dbraw/zinc/64/52/58/584645258.db2.gz WWHWCFXCFOQFJM-ZDUSSCGKSA-N 0 1 239.363 2.198 20 0 BEADMN Cc1cc(C)nc(CON=C(N)C(C)C)c1 ZINC000902727056 584661178 /nfs/dbraw/zinc/66/11/78/584661178.db2.gz HUMHVKNTOIKXEH-UHFFFAOYSA-N 0 1 221.304 2.353 20 0 BEADMN CCc1ccc(NC(=O)NC[C@H]2CCN2C)cc1 ZINC000902934487 584699663 /nfs/dbraw/zinc/69/96/63/584699663.db2.gz PCLGXTQLGBEBQJ-CYBMUJFWSA-N 0 1 247.342 2.075 20 0 BEADMN COC(=O)c1ccc([C@H](C)NCCF)c(C)c1 ZINC000902979362 584708140 /nfs/dbraw/zinc/70/81/40/584708140.db2.gz RXWKRLHODQRWHV-JTQLQIEISA-N 0 1 239.290 2.402 20 0 BEADMN F[C@H]1CCCN(CCCc2ccncc2)C1 ZINC000902995614 584708218 /nfs/dbraw/zinc/70/82/18/584708218.db2.gz OHUVVFUZSDYRES-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN C[C@H](NC1CC(C(C)(C)C)C1)c1cn(C)nn1 ZINC000903000710 584715632 /nfs/dbraw/zinc/71/56/32/584715632.db2.gz MCEGSJAKNZBFKO-WHXUTIOJSA-N 0 1 236.363 2.290 20 0 BEADMN c1cnc(CNC2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000903054297 584724211 /nfs/dbraw/zinc/72/42/11/584724211.db2.gz JFMCXZCCSOOYRB-GHMZBOCLSA-N 0 1 217.316 2.145 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000903095520 584729149 /nfs/dbraw/zinc/72/91/49/584729149.db2.gz WIPXGQYRWFZWOL-IZOAKFFESA-N 0 1 231.286 2.043 20 0 BEADMN c1cn2c(n1)[C@H](N[C@H]1CCOC13CCCC3)CC2 ZINC000903178631 584733201 /nfs/dbraw/zinc/73/32/01/584733201.db2.gz XVMCFSURFYBKIS-NEPJUHHUSA-N 0 1 247.342 2.019 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1noc2ccccc12 ZINC000903195789 584734403 /nfs/dbraw/zinc/73/44/03/584734403.db2.gz ARDRZGYGHJPNLD-FZMZJTMJSA-N 0 1 246.310 2.485 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1noc2ccccc12 ZINC000903195790 584734414 /nfs/dbraw/zinc/73/44/14/584734414.db2.gz ARDRZGYGHJPNLD-RISCZKNCSA-N 0 1 246.310 2.485 20 0 BEADMN CCCn1cc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)nn1 ZINC000903253564 584739136 /nfs/dbraw/zinc/73/91/36/584739136.db2.gz LVXJRKGVDKIZHE-RXGFPQBGSA-N 0 1 248.374 2.383 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2ncccn2)C2CC2)[C@@H](C)O1 ZINC000903325815 584753669 /nfs/dbraw/zinc/75/36/69/584753669.db2.gz VLCOAYJZPWMUGR-VCDKRKBESA-N 0 1 247.342 2.083 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2ncccn2)C2CC2)CCO1 ZINC000903327184 584753686 /nfs/dbraw/zinc/75/36/86/584753686.db2.gz QPWAHCOHPJKRBV-RTXFEEFZSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C)c1cc(O)ccc1F ZINC000903393601 584756656 /nfs/dbraw/zinc/75/66/56/584756656.db2.gz PZDNXJOYYKRRPT-ZDMBXUJBSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C)c1cc(O)ccc1F ZINC000903393599 584756687 /nfs/dbraw/zinc/75/66/87/584756687.db2.gz PZDNXJOYYKRRPT-RVBZMBCESA-N 0 1 239.290 2.217 20 0 BEADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ncc[nH]1 ZINC000903390316 584757886 /nfs/dbraw/zinc/75/78/86/584757886.db2.gz UQHONIAMFQMWRR-GHMZBOCLSA-N 0 1 235.331 2.162 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000903407998 584759108 /nfs/dbraw/zinc/75/91/08/584759108.db2.gz CYPDLRDOKAFSMN-FOUMNBMASA-N 0 1 237.343 2.360 20 0 BEADMN CC(C)Cc1ccccc1C[N@@H+](C)CC(=O)[O-] ZINC000903401154 584760484 /nfs/dbraw/zinc/76/04/84/584760484.db2.gz CPBKLSJVEDDQLZ-UHFFFAOYSA-N 0 1 235.327 2.402 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2COC[C@@H]2C2CC2)no1 ZINC000903434702 584762088 /nfs/dbraw/zinc/76/20/88/584762088.db2.gz AJQWTDAOXLTUNL-UFGOTCBOSA-N 0 1 236.315 2.059 20 0 BEADMN COCC1CCN(Cc2ccnc(F)c2)CC1 ZINC000859139781 589008387 /nfs/dbraw/zinc/00/83/87/589008387.db2.gz UFAYDKOBPRKNDN-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN C[C@@H](NC1(C)C(C)(C)C1(C)C)c1cnn(C)n1 ZINC000903442757 584768084 /nfs/dbraw/zinc/76/80/84/584768084.db2.gz TVFFVSJTJBOIMJ-SECBINFHSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@H](NC1(C)C(C)(C)C1(C)C)c1cnn(C)n1 ZINC000903442758 584768231 /nfs/dbraw/zinc/76/82/31/584768231.db2.gz TVFFVSJTJBOIMJ-VIFPVBQESA-N 0 1 236.363 2.290 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C/Cl)n(C)n1 ZINC000903444640 584769236 /nfs/dbraw/zinc/76/92/36/584769236.db2.gz QACGGYALMMUHEN-XNPJLODASA-N 0 1 213.712 2.132 20 0 BEADMN CC[C@H](NC/C=C/Cl)c1cnn(C)c1 ZINC000903444745 584769496 /nfs/dbraw/zinc/76/94/96/584769496.db2.gz QPDKJWLONAHDST-YEZKRMTDSA-N 0 1 213.712 2.213 20 0 BEADMN CCC(F)(F)C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000903607164 584784465 /nfs/dbraw/zinc/78/44/65/584784465.db2.gz IFKVSEWJWSNACX-UHFFFAOYSA-N 0 1 233.258 2.113 20 0 BEADMN C=C/C=C\CC[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903604563 584784532 /nfs/dbraw/zinc/78/45/32/584784532.db2.gz ZVJOOSLREYGLQH-DOGVGXBMSA-N 0 1 223.316 2.304 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000903605877 584784603 /nfs/dbraw/zinc/78/46/03/584784603.db2.gz DHMKXLPJTFFORN-AXFHLTTASA-N 0 1 227.348 2.464 20 0 BEADMN C=C/C=C/CC[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000903608682 584785105 /nfs/dbraw/zinc/78/51/05/584785105.db2.gz ZRUOSTSZMFBLPS-WQZXPNJLSA-N 0 1 235.327 2.448 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000903594296 584785869 /nfs/dbraw/zinc/78/58/69/584785869.db2.gz FDPRYTVGZSSKDB-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CC12CCC(CC1)C2 ZINC000903617829 584787123 /nfs/dbraw/zinc/78/71/23/584787123.db2.gz UVOKXCJECKGDPO-ZRZGDYATSA-N 0 1 241.306 2.064 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@@H](CF)C1 ZINC000903611421 584787565 /nfs/dbraw/zinc/78/75/65/584787565.db2.gz MOOHEMFODUCISC-WPRPVWTQSA-N 0 1 243.303 2.165 20 0 BEADMN CC(C)C[N@@H+](CCF)CC(C)(C)C(=O)[O-] ZINC000903623322 584787906 /nfs/dbraw/zinc/78/79/06/584787906.db2.gz WPLQLJJQSHAOMH-UHFFFAOYSA-N 0 1 219.300 2.025 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CCCC12CCC2 ZINC000903631287 584788087 /nfs/dbraw/zinc/78/80/87/584788087.db2.gz MDFSXTODOFFTDK-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccccc1CF ZINC000903694120 584789699 /nfs/dbraw/zinc/78/96/99/584789699.db2.gz VXDZDBVARZRJCW-GFCCVEGCSA-N 0 1 237.274 2.205 20 0 BEADMN CC1(C)CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695842 584790352 /nfs/dbraw/zinc/79/03/52/584790352.db2.gz KMXREZSHJTXIDR-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC1CC(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000903702751 584790506 /nfs/dbraw/zinc/79/05/06/584790506.db2.gz HFZGWVNRFVUKNN-POSLAHMBSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000903702996 584790509 /nfs/dbraw/zinc/79/05/09/584790509.db2.gz OFCVPIDQYABSHW-MCIGGMRASA-N 0 1 225.332 2.362 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)C1 ZINC000903702752 584790537 /nfs/dbraw/zinc/79/05/37/584790537.db2.gz HFZGWVNRFVUKNN-RSJDFQLWSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccccc1CF)C(=O)[O-] ZINC000903702219 584790588 /nfs/dbraw/zinc/79/05/88/584790588.db2.gz RENQEFSAPMAYSH-JTQLQIEISA-N 0 1 239.290 2.309 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1cccnc1 ZINC000903701980 584790762 /nfs/dbraw/zinc/79/07/62/584790762.db2.gz WSFYEJHTPSEZMQ-UHFFFAOYSA-N 0 1 248.326 2.158 20 0 BEADMN C[C@]12C[N@@H+](CCCCC(=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903706807 584791380 /nfs/dbraw/zinc/79/13/80/584791380.db2.gz GKRGNXYCZOMOQT-SFDCQRBFSA-N 0 1 249.354 2.385 20 0 BEADMN O=C([O-])C1(CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000903707744 584791416 /nfs/dbraw/zinc/79/14/16/584791416.db2.gz DULKCXRUMMBBAO-TXEJJXNPSA-N 0 1 237.343 2.363 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H](CF)C2)CCC1 ZINC000903708267 584791427 /nfs/dbraw/zinc/79/14/27/584791427.db2.gz ZQWBOMVUQIUEAL-NSHDSACASA-N 0 1 243.322 2.313 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903707169 584791546 /nfs/dbraw/zinc/79/15/46/584791546.db2.gz MZGDSKNYMWMLQY-OJROKELRSA-N 0 1 237.343 2.218 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000903707553 584791549 /nfs/dbraw/zinc/79/15/49/584791549.db2.gz ZFLGZMGKYLLLPP-POSLAHMBSA-N 0 1 225.332 2.075 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903888311 584813744 /nfs/dbraw/zinc/81/37/44/584813744.db2.gz YJYRBILFCPKXPE-CQSZACIVSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903891872 584814059 /nfs/dbraw/zinc/81/40/59/584814059.db2.gz UCMXANBGWASUMP-RWMBFGLXSA-N 0 1 239.359 2.465 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903893562 584819023 /nfs/dbraw/zinc/81/90/23/584819023.db2.gz GHXQCZKQRXNXOA-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000903886490 584819149 /nfs/dbraw/zinc/81/91/49/584819149.db2.gz FHUWKRHIQVTALJ-IACUBPJLSA-N 0 1 245.322 2.326 20 0 BEADMN CC1CCC([N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903885754 584819213 /nfs/dbraw/zinc/81/92/13/584819213.db2.gz QVULYFJZGAFTHO-POSLAHMBSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903898305 584819514 /nfs/dbraw/zinc/81/95/14/584819514.db2.gz OOLXRQBZDISFPO-VHRBIJSZSA-N 0 1 245.322 2.326 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903894255 584819883 /nfs/dbraw/zinc/81/98/83/584819883.db2.gz RQEGUJMRZTWALC-FIQHERPVSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@@H+](CC(=O)[O-])C2CCCC2)C1 ZINC000903907501 584821086 /nfs/dbraw/zinc/82/10/86/584821086.db2.gz XCKPIWFRDZVMQI-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])c1cncc(C[N@H+]2CCCC23CCC3)c1 ZINC000903915647 584821213 /nfs/dbraw/zinc/82/12/13/584821213.db2.gz NDCFJJIPCSIIBQ-UHFFFAOYSA-N 0 1 246.310 2.298 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903906233 584821261 /nfs/dbraw/zinc/82/12/61/584821261.db2.gz GPMGKSGDOGLYQR-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN CCCC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903919738 584823168 /nfs/dbraw/zinc/82/31/68/584823168.db2.gz CUNSKTLFXXODOO-UHFFFAOYSA-N 0 1 249.310 2.379 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903934515 584825997 /nfs/dbraw/zinc/82/59/97/584825997.db2.gz AXCUTWNVOBNXEL-SKDRFNHKSA-N 0 1 247.285 2.361 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936849 584826155 /nfs/dbraw/zinc/82/61/55/584826155.db2.gz XSBRLBFYYABONE-YPMHNXCESA-N 0 1 223.316 2.282 20 0 BEADMN C[C@H]1CSCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903957132 584827542 /nfs/dbraw/zinc/82/75/42/584827542.db2.gz KAKKLNNOXQPLDE-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN C/C(=C\C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000903944634 584829456 /nfs/dbraw/zinc/82/94/56/584829456.db2.gz NOABCRBBTUMYDY-ZFAGKHEFSA-N 0 1 249.354 2.385 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)O[C@H](C)C1CC1 ZINC000904087151 584840344 /nfs/dbraw/zinc/84/03/44/584840344.db2.gz ZSBQVOWRJPBQGG-ZYHUDNBSSA-N 0 1 225.332 2.201 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@H]2C[C@H]2C)no1 ZINC000904096507 584842358 /nfs/dbraw/zinc/84/23/58/584842358.db2.gz JHLSPZYCZKQFBE-UTLUCORTSA-N 0 1 223.320 2.500 20 0 BEADMN Cc1cccc2nc(CN3CC[C@H]4C[C@H]43)cn21 ZINC000761084330 584909112 /nfs/dbraw/zinc/90/91/12/584909112.db2.gz LROAWBCUEQUBQK-WCQYABFASA-N 0 1 227.311 2.237 20 0 BEADMN C[C@@]1(CSc2cn[nH]n2)CC1(Cl)Cl ZINC000825334078 584912693 /nfs/dbraw/zinc/91/26/93/584912693.db2.gz LTHLAYLMYHFIMK-LURJTMIESA-N 0 1 238.143 2.481 20 0 BEADMN CC(C)[C@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000763554173 584922535 /nfs/dbraw/zinc/92/25/35/584922535.db2.gz RTVZKYUGEWABIF-VHSXEESVSA-N 0 1 236.315 2.417 20 0 BEADMN Cl/C=C\CN1CCC(n2cccn2)CC1 ZINC000731399499 584925883 /nfs/dbraw/zinc/92/58/83/584925883.db2.gz LFFFMBGEUGWPHA-KTAJNNJTSA-N 0 1 225.723 2.273 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(C2CC2)cn1)N(C)C ZINC000888280095 584936904 /nfs/dbraw/zinc/93/69/04/584936904.db2.gz AVVUQLWAFURVAX-GFCCVEGCSA-N 0 1 247.342 2.238 20 0 BEADMN CCc1cc(CNCc2ccc(COC)o2)[nH]n1 ZINC000765240733 584937080 /nfs/dbraw/zinc/93/70/80/584937080.db2.gz ACMSLGNHOKKJTG-UHFFFAOYSA-N 0 1 249.314 2.001 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1cc(CC)[nH]n1 ZINC000732788117 584940626 /nfs/dbraw/zinc/94/06/26/584940626.db2.gz GAINUKKWIDQPKC-JXMROGBWSA-N 0 1 235.331 2.335 20 0 BEADMN CCC[C@@H](C)CC(=O)NCc1cc(CC)[nH]n1 ZINC000732788466 584940745 /nfs/dbraw/zinc/94/07/45/584940745.db2.gz MTNIRZCWOWXXQG-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC000732790875 584940795 /nfs/dbraw/zinc/94/07/95/584940795.db2.gz JYKNCHZFYKMYOC-SECBINFHSA-N 0 1 235.331 2.025 20 0 BEADMN CCc1cc(CNC(=O)CC2=CCCCC2)n[nH]1 ZINC000732791515 584941053 /nfs/dbraw/zinc/94/10/53/584941053.db2.gz CDDWTMCKZXYJTP-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CCc1cc(CNC(=O)c2ccc(C)s2)n[nH]1 ZINC000732793574 584941161 /nfs/dbraw/zinc/94/11/61/584941161.db2.gz FCTFDXRJYSJLMQ-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CCc1cc(CNc2cc(C(C)C)ncn2)n[nH]1 ZINC000732920802 584941773 /nfs/dbraw/zinc/94/17/73/584941773.db2.gz NCNVIQPZDNCOSO-UHFFFAOYSA-N 0 1 245.330 2.498 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2ccsc2)n[nH]1 ZINC000733285535 584945743 /nfs/dbraw/zinc/94/57/43/584945743.db2.gz FHXATCFMZVVUNT-IHWYPQMZSA-N 0 1 247.323 2.109 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN2C3CCC2CC3)C1 ZINC000733289601 584946245 /nfs/dbraw/zinc/94/62/45/584946245.db2.gz JOBPUEQTQUYZHS-HIFPTAJRSA-N 0 1 236.359 2.075 20 0 BEADMN Cc1cc(CN[C@@H](C)c2c(C)noc2C)n[nH]1 ZINC000733798282 584953487 /nfs/dbraw/zinc/95/34/87/584953487.db2.gz NQBOFDSTWOCPOH-QMMMGPOBSA-N 0 1 234.303 2.174 20 0 BEADMN Cc1nonc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000734146493 584957314 /nfs/dbraw/zinc/95/73/14/584957314.db2.gz DQHSNOZMLGYTCK-JOYOIKCWSA-N 0 1 223.320 2.389 20 0 BEADMN CCCN(Cc1nonc1C)CC1CC1 ZINC000734149587 584957669 /nfs/dbraw/zinc/95/76/69/584957669.db2.gz OBPGELFSQNMWSL-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN Cc1nonc1CN1CCCCC[C@@H]1C ZINC000734149835 584957760 /nfs/dbraw/zinc/95/77/60/584957760.db2.gz TYWRWGVFCQOURD-VIFPVBQESA-N 0 1 209.293 2.143 20 0 BEADMN C[C@H](CNC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000734444909 584962583 /nfs/dbraw/zinc/96/25/83/584962583.db2.gz GHSLKPYHANXUEF-SECBINFHSA-N 0 1 249.358 2.310 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCCc1c[nH]nn1 ZINC000734569981 584964781 /nfs/dbraw/zinc/96/47/81/584964781.db2.gz ZDSJETNWSXZHDG-SNVBAGLBSA-N 0 1 239.319 2.107 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCCc1cnn[nH]1 ZINC000734569981 584964782 /nfs/dbraw/zinc/96/47/82/584964782.db2.gz ZDSJETNWSXZHDG-SNVBAGLBSA-N 0 1 239.319 2.107 20 0 BEADMN Cc1nonc1CN1CCCC[C@@H]1C(C)C ZINC000735311785 584975272 /nfs/dbraw/zinc/97/52/72/584975272.db2.gz SXFKROSKNCNMEA-GFCCVEGCSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000736219209 584992286 /nfs/dbraw/zinc/99/22/86/584992286.db2.gz KTSAXESEUWXNMT-ZJUUUORDSA-N 0 1 237.274 2.088 20 0 BEADMN COC[C@H]1CCCN1Cc1ncc(C)s1 ZINC000772205266 585013859 /nfs/dbraw/zinc/01/38/59/585013859.db2.gz SQJVLFBIISXURJ-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CN2CCCC2)C[C@H]1C ZINC000821911700 585020379 /nfs/dbraw/zinc/02/03/79/585020379.db2.gz BTUDWBGKZHMVNH-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nc(CN[C@H]2CSC[C@@H]2C)co1 ZINC000825062442 585029017 /nfs/dbraw/zinc/02/90/17/585029017.db2.gz WHQAMHUGEIZXOV-WPRPVWTQSA-N 0 1 226.345 2.078 20 0 BEADMN CCC/C=C\C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000737995787 585040100 /nfs/dbraw/zinc/04/01/00/585040100.db2.gz SZJPRTAVAODRMF-MEJMFZKBSA-N 0 1 238.375 2.141 20 0 BEADMN CCn1ncc(CN(C(C)C)C2CCC2)n1 ZINC000838845504 585074372 /nfs/dbraw/zinc/07/43/72/585074372.db2.gz RODZEXMYNMVVRI-UHFFFAOYSA-N 0 1 222.336 2.061 20 0 BEADMN O=C(CCC1CCCCC1)OCc1c[nH]nn1 ZINC000838905333 585077411 /nfs/dbraw/zinc/07/74/11/585077411.db2.gz SKDCQBFPOPEYMH-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CCCC(CCC)C(=O)OCc1c[nH]nn1 ZINC000838898994 585079730 /nfs/dbraw/zinc/07/97/30/585079730.db2.gz RYLDPFPZCJUHQM-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CC[C@H](C)CCCCC(=O)OCc1c[nH]nn1 ZINC000838898799 585079734 /nfs/dbraw/zinc/07/97/34/585079734.db2.gz XIVSRRPGYPMETF-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CC1(C)CCC[C@@H](C(=O)OCc2c[nH]nn2)C1 ZINC000838898579 585079767 /nfs/dbraw/zinc/07/97/67/585079767.db2.gz NHGSYMAHBIJIRS-SECBINFHSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@@H](O)C2CC2)s1 ZINC000838929609 585081336 /nfs/dbraw/zinc/08/13/36/585081336.db2.gz ZLSVPRSJTGMECB-SNVBAGLBSA-N 0 1 240.372 2.047 20 0 BEADMN COC[C@H](C)NCc1ccc(C)nc1Cl ZINC000838982668 585084290 /nfs/dbraw/zinc/08/42/90/585084290.db2.gz RLCCEYUJVGFAGP-VIFPVBQESA-N 0 1 228.723 2.168 20 0 BEADMN COCc1cc(CNCCC2CCC2)no1 ZINC000838981873 585084303 /nfs/dbraw/zinc/08/43/03/585084303.db2.gz UIMOLEQRNQYGCN-UHFFFAOYSA-N 0 1 224.304 2.101 20 0 BEADMN CCn1ncc(CN2CCC[C@@H](C(C)C)C2)n1 ZINC000839032096 585088560 /nfs/dbraw/zinc/08/85/60/585088560.db2.gz YICGQCIBQYDXEP-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN CCn1ncc(CNCCC(C)(C)C2CC2)n1 ZINC000839117737 585092216 /nfs/dbraw/zinc/09/22/16/585092216.db2.gz NXVUFSXPRGPYPX-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN Cc1ccncc1CCCN1CC(O)(C(C)C)C1 ZINC000839133424 585094231 /nfs/dbraw/zinc/09/42/31/585094231.db2.gz ONDBFNUFINOXRM-UHFFFAOYSA-N 0 1 248.370 2.025 20 0 BEADMN Cc1noc(C)c1CN(C)CCC1(O)CCC1 ZINC000839467558 585104857 /nfs/dbraw/zinc/10/48/57/585104857.db2.gz SHHNQTASKBKPAG-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN CCCCCCN1CCn2ccnc2C1 ZINC000740876264 585107680 /nfs/dbraw/zinc/10/76/80/585107680.db2.gz PZUOWFJUZRXBNN-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC[C@H](C)C2)n[nH]1 ZINC000741689729 585116682 /nfs/dbraw/zinc/11/66/82/585116682.db2.gz FMAXFDNXUFHDTO-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)[C@@H](C)C1CC1 ZINC000741782687 585118719 /nfs/dbraw/zinc/11/87/19/585118719.db2.gz GGZLHHYNFYRDNO-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H]1CC ZINC000741782142 585118776 /nfs/dbraw/zinc/11/87/76/585118776.db2.gz IJKORQSOOSOKMG-QWRGUYRKSA-N 0 1 213.321 2.203 20 0 BEADMN CCCOC(=O)[C@@H](C)[N@@H+](CC)C1CCC1 ZINC000741797262 585119320 /nfs/dbraw/zinc/11/93/20/585119320.db2.gz PVKSKGYRGPVGCX-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)C1CCC1 ZINC000741797262 585119321 /nfs/dbraw/zinc/11/93/21/585119321.db2.gz PVKSKGYRGPVGCX-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CCN1CCN(C(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742462302 585126687 /nfs/dbraw/zinc/12/66/87/585126687.db2.gz CMSBGHSKYXMRLD-QXMHVHEDSA-N 0 1 238.375 2.143 20 0 BEADMN CC(=CC(=O)Nc1nnc(C)[nH]1)C(C)(C)C ZINC000742633861 585129291 /nfs/dbraw/zinc/12/92/91/585129291.db2.gz UGGUDQLBXUEZRT-SREVYHEPSA-N 0 1 222.292 2.044 20 0 BEADMN CC(=CC(=O)Nc1nc(C)n[nH]1)C(C)(C)C ZINC000742633861 585129292 /nfs/dbraw/zinc/12/92/92/585129292.db2.gz UGGUDQLBXUEZRT-SREVYHEPSA-N 0 1 222.292 2.044 20 0 BEADMN CCCCC[C@H](C)CC(=O)NCc1nnc[nH]1 ZINC000742660099 585129541 /nfs/dbraw/zinc/12/95/41/585129541.db2.gz WCEVSAUZKSUNTC-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CN(CCC1CC1)CC(=O)Nc1ccc(O)cc1 ZINC000744390190 585149893 /nfs/dbraw/zinc/14/98/93/585149893.db2.gz ASZYNMRBKHFYSD-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN CC(C)[C@@H](C(=O)OCCC1CC1)N1CCCC1 ZINC000745090944 585156656 /nfs/dbraw/zinc/15/66/56/585156656.db2.gz XBWYRHJCROYMBS-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccccc1CN1CCN(CCF)CC1 ZINC000746494710 585168737 /nfs/dbraw/zinc/16/87/37/585168737.db2.gz SFKYGNLKWHOXNN-UHFFFAOYSA-N 0 1 236.334 2.082 20 0 BEADMN C/C=C/COC(=O)Cc1[nH]nc2ccccc21 ZINC000746587085 585170569 /nfs/dbraw/zinc/17/05/69/585170569.db2.gz VJHLQKHFGSYKOB-NSCUHMNNSA-N 0 1 230.267 2.225 20 0 BEADMN CCN(CC(=O)NC)[C@H](C)c1ccccc1C ZINC000746659344 585171937 /nfs/dbraw/zinc/17/19/37/585171937.db2.gz NWGBKSFNAMCKCX-GFCCVEGCSA-N 0 1 234.343 2.124 20 0 BEADMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(O)cc2)C1 ZINC000747531516 585180319 /nfs/dbraw/zinc/18/03/19/585180319.db2.gz XZQMGCAQYRMPTC-GHMZBOCLSA-N 0 1 248.326 2.061 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)c1ccc(C)cc1 ZINC000750602683 585217765 /nfs/dbraw/zinc/21/77/65/585217765.db2.gz KXSRRGHFACWVJV-LBPRGKRZSA-N 0 1 234.343 2.298 20 0 BEADMN CC(C)c1cnc(CN2CCc3cn[nH]c3C2)o1 ZINC000750721164 585218796 /nfs/dbraw/zinc/21/87/96/585218796.db2.gz VAZFEUDFZADHNB-UHFFFAOYSA-N 0 1 246.314 2.079 20 0 BEADMN CC=C(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000751113871 585224035 /nfs/dbraw/zinc/22/40/35/585224035.db2.gz CHZXPSCOJJJYQN-FPYGCLRLSA-N 0 1 215.256 2.468 20 0 BEADMN CC[C@@](C)(NCc1cnnn1C)c1ccccc1 ZINC000751147711 585224669 /nfs/dbraw/zinc/22/46/69/585224669.db2.gz YILFFUQAKWKHPW-CQSZACIVSA-N 0 1 244.342 2.230 20 0 BEADMN CC(C)CCCCCC(=O)NCCN1CCC1 ZINC000752301429 585244694 /nfs/dbraw/zinc/24/46/94/585244694.db2.gz WKCOMNWYVWSJDY-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC1C(C)(C)C1(C)C ZINC000752729744 585249047 /nfs/dbraw/zinc/24/90/47/585249047.db2.gz UPIDSCGQALAENY-JTQLQIEISA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nc(COC(=O)c2ccc(C)cc2)n[nH]1 ZINC000753940186 585272618 /nfs/dbraw/zinc/27/26/18/585272618.db2.gz HFYKPRRIAWQGJR-UHFFFAOYSA-N 0 1 245.282 2.033 20 0 BEADMN CCN1CCN(c2ccnc(C(C)C)n2)C[C@H]1C ZINC000754079359 585277606 /nfs/dbraw/zinc/27/76/06/585277606.db2.gz GNVGYJHPRBLUTL-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN O=C(/C=C/C1CCCCC1)NCc1cnc[nH]1 ZINC000754295043 585282435 /nfs/dbraw/zinc/28/24/35/585282435.db2.gz VXVWYSBYWXAWMS-VOTSOKGWSA-N 0 1 233.315 2.162 20 0 BEADMN CCC/C(C)=C/C(=O)OCc1n[nH]c(CC)n1 ZINC000754790642 585290899 /nfs/dbraw/zinc/29/08/99/585290899.db2.gz GKZGGFGCKLTRKP-VQHVLOKHSA-N 0 1 237.303 2.157 20 0 BEADMN CC(C)[C@H]1CCN(CN2CCSC2=O)C1 ZINC000755926801 585310843 /nfs/dbraw/zinc/31/08/43/585310843.db2.gz YSIGMMPPSIWCTC-JTQLQIEISA-N 0 1 228.361 2.091 20 0 BEADMN CCCCN(CN1C[C@@H](CC)CC1=O)C1CC1 ZINC000755914274 585310236 /nfs/dbraw/zinc/31/02/36/585310236.db2.gz RCBTZZZWWZCWGK-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C(C)C)C1 ZINC000755998754 585312608 /nfs/dbraw/zinc/31/26/08/585312608.db2.gz ZAHWNRMANGCANE-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(CC(=O)OCc2ccc(C)cc2)n[nH]1 ZINC000756236480 585316081 /nfs/dbraw/zinc/31/60/81/585316081.db2.gz NUDGRQQNBAWPEM-UHFFFAOYSA-N 0 1 244.294 2.312 20 0 BEADMN Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000839532335 585320409 /nfs/dbraw/zinc/32/04/09/585320409.db2.gz AZBLGNGOQPVMNF-CYBMUJFWSA-N 0 1 218.344 2.131 20 0 BEADMN Cc1nc([C@@H](C)N2CC[C@H](C(F)(F)F)C2)n[nH]1 ZINC000839534492 585329345 /nfs/dbraw/zinc/32/93/45/585329345.db2.gz STILTFHCQAWSGC-SVRRBLITSA-N 0 1 248.252 2.058 20 0 BEADMN FC[C@H]1CN(C[C@@H]2CCc3ccccc32)CCO1 ZINC000839621316 585332339 /nfs/dbraw/zinc/33/23/39/585332339.db2.gz IRRBFMRUPWGQDX-KBPBESRZSA-N 0 1 249.329 2.387 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC(C)(C)C[C@@H]1C ZINC000839661719 585334014 /nfs/dbraw/zinc/33/40/14/585334014.db2.gz YZLVWLRRANAFJM-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](NCCCCCCCO)c1csnn1 ZINC000839661500 585334076 /nfs/dbraw/zinc/33/40/76/585334076.db2.gz CRPNTOFWAPZUBU-SNVBAGLBSA-N 0 1 243.376 2.132 20 0 BEADMN C[C@@H]1CN(CCF)CCN1Cc1ccccc1 ZINC000839646624 585334919 /nfs/dbraw/zinc/33/49/19/585334919.db2.gz NMPSMAKWOPUPEI-CYBMUJFWSA-N 0 1 236.334 2.162 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000839675243 585336927 /nfs/dbraw/zinc/33/69/27/585336927.db2.gz GGKMCZNQJIVDPM-CYBMUJFWSA-N 0 1 239.359 2.452 20 0 BEADMN CON(C(=O)c1cc(C2CC2)n[nH]1)C1CCCC1 ZINC000757631951 585343331 /nfs/dbraw/zinc/34/33/31/585343331.db2.gz FHPTYEPMMTYOFK-UHFFFAOYSA-N 0 1 249.314 2.233 20 0 BEADMN O=C(OC1CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000757880937 585346448 /nfs/dbraw/zinc/34/64/48/585346448.db2.gz MEIYWMYFUQIHAE-SNVBAGLBSA-N 0 1 234.299 2.315 20 0 BEADMN O=C(O[C@H]1C=CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000758131607 585350042 /nfs/dbraw/zinc/35/00/42/585350042.db2.gz FIXCVNJIDZSDGT-WDEREUQCSA-N 0 1 246.310 2.482 20 0 BEADMN O=C(Nc1cnoc1)c1nc(Cl)ccc1F ZINC000758952244 585362973 /nfs/dbraw/zinc/36/29/73/585362973.db2.gz DJURUMQEZZARSR-UHFFFAOYSA-N 0 1 241.609 2.114 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000759210497 585365697 /nfs/dbraw/zinc/36/56/97/585365697.db2.gz QNNNKSGVTVOSLV-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN CC[C@H](C(=O)NOCC(F)F)c1ccccc1 ZINC000759339562 585368766 /nfs/dbraw/zinc/36/87/66/585368766.db2.gz WZQXGDLQBVAOGS-JTQLQIEISA-N 0 1 243.253 2.493 20 0 BEADMN C[C@H](C(=O)NOCC(F)F)c1cccs1 ZINC000759350272 585371121 /nfs/dbraw/zinc/37/11/21/585371121.db2.gz ZZLUMGVGQUYSAZ-LURJTMIESA-N 0 1 235.255 2.165 20 0 BEADMN CCCC=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760047402 585384584 /nfs/dbraw/zinc/38/45/84/585384584.db2.gz UIUKKPUJWFJWLC-XBXARRHUSA-N 0 1 234.303 2.367 20 0 BEADMN CCC/C=C/C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760047402 585384585 /nfs/dbraw/zinc/38/45/85/585384585.db2.gz UIUKKPUJWFJWLC-XBXARRHUSA-N 0 1 234.303 2.367 20 0 BEADMN CCCC1(C(=O)NCc2cc(CC)[nH]n2)CC1 ZINC000760583533 585394292 /nfs/dbraw/zinc/39/42/92/585394292.db2.gz XULIEZAAZRJHPL-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CCO[C@@H](CN1CCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000859222884 589021631 /nfs/dbraw/zinc/02/16/31/589021631.db2.gz OHJAHRGEESMEBG-OLZOCXBDSA-N 0 1 249.358 2.362 20 0 BEADMN CCCNC(=O)CN1CCC(CC(C)C)CC1 ZINC000760927829 585401965 /nfs/dbraw/zinc/40/19/65/585401965.db2.gz VUYCDJUMVZXYJB-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc[nH]1 ZINC000760948952 585402376 /nfs/dbraw/zinc/40/23/76/585402376.db2.gz FVOGGUMLUSLAPM-QMMMGPOBSA-N 0 1 248.257 2.350 20 0 BEADMN FC(F)(F)[C@@H]1CCN(Cc2cccnc2)C1 ZINC000761042219 585403954 /nfs/dbraw/zinc/40/39/54/585403954.db2.gz OBVWNZGSPAQOAI-SNVBAGLBSA-N 0 1 230.233 2.466 20 0 BEADMN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC000761081222 585406490 /nfs/dbraw/zinc/40/64/90/585406490.db2.gz FTBRSCVHDNSRMP-SCRDCRAPSA-N 0 1 244.338 2.416 20 0 BEADMN Cc1ccccc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761078376 585406702 /nfs/dbraw/zinc/40/67/02/585406702.db2.gz WSRWNNQYZKIMAH-ZDUSSCGKSA-N 0 1 218.344 2.131 20 0 BEADMN CCN(C(=O)CN1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000761094473 585408463 /nfs/dbraw/zinc/40/84/63/585408463.db2.gz NVMQTTOUZQPGSS-OCCSQVGLSA-N 0 1 244.338 2.134 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CC[C@H](CC(C)C)C2)n1 ZINC000761885555 585422266 /nfs/dbraw/zinc/42/22/66/585422266.db2.gz DMPQPWCSBZVUAV-GFCCVEGCSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](CC(C)C)C2)n1 ZINC000761885555 585422267 /nfs/dbraw/zinc/42/22/67/585422267.db2.gz DMPQPWCSBZVUAV-GFCCVEGCSA-N 0 1 249.358 2.359 20 0 BEADMN CC(C)N(CN1C[C@H](C2CC2)CC1=O)C1CC1 ZINC000762480746 585432800 /nfs/dbraw/zinc/43/28/00/585432800.db2.gz HUPKPJPVUZOGHQ-GFCCVEGCSA-N 0 1 236.359 2.075 20 0 BEADMN CN(CN1C[C@@H](C2CC2)CC1=O)CC(C)(C)C ZINC000762497483 585433296 /nfs/dbraw/zinc/43/32/96/585433296.db2.gz UQTFAEMBBVKDCR-LBPRGKRZSA-N 0 1 238.375 2.180 20 0 BEADMN CCCN(CN1C[C@@H](C2CC2)CC1=O)C1CC1 ZINC000762498001 585433456 /nfs/dbraw/zinc/43/34/56/585433456.db2.gz UZUDYNLIRWDUNE-LBPRGKRZSA-N 0 1 236.359 2.077 20 0 BEADMN CCc1ccc(C(=O)OCc2n[nH]c(C)n2)cc1 ZINC000762586372 585434030 /nfs/dbraw/zinc/43/40/30/585434030.db2.gz JDDCTOIZSRPUBT-UHFFFAOYSA-N 0 1 245.282 2.033 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2ccoc2)n[nH]1 ZINC000762627504 585434746 /nfs/dbraw/zinc/43/47/46/585434746.db2.gz JYKRTZXDXFDWGP-VIFPVBQESA-N 0 1 234.303 2.372 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)CCF)C12CCC2 ZINC000763701932 585453075 /nfs/dbraw/zinc/45/30/75/585453075.db2.gz PDYQNDGKCGFWAE-MNOVXSKESA-N 0 1 215.312 2.235 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CC1)N1CCCC1 ZINC000763980580 585458187 /nfs/dbraw/zinc/45/81/87/585458187.db2.gz FFZNQGDPZSPFPJ-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@H](C(=O)O[C@H](C)C1CC1)N(CC)CC ZINC000764383889 585464386 /nfs/dbraw/zinc/46/43/86/585464386.db2.gz WDSBQJNJAINOIW-ZYHUDNBSSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](C)CON=C(N)CN1CCCC[C@H]1C ZINC000764554861 585467790 /nfs/dbraw/zinc/46/77/90/585467790.db2.gz YMHZXCUTCIKTFE-VXGBXAGGSA-N 0 1 241.379 2.405 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC000765509313 585488712 /nfs/dbraw/zinc/48/87/12/585488712.db2.gz SOHMSHUQVWXHCN-JTQLQIEISA-N 0 1 237.347 2.271 20 0 BEADMN CC=C(C=CC(=O)NCc1cc(C)[nH]n1)CC ZINC000765546643 585489443 /nfs/dbraw/zinc/48/94/43/585489443.db2.gz SQIOPBBDZJESHK-HNGDNPSASA-N 0 1 233.315 2.247 20 0 BEADMN CCCN(C)Cn1ccc(-c2nccs2)n1 ZINC000766070150 585497200 /nfs/dbraw/zinc/49/72/00/585497200.db2.gz QKPZXPLFQXFQKU-UHFFFAOYSA-N 0 1 236.344 2.306 20 0 BEADMN CCCCCCN1CCNC(=O)[C@H]1CCC ZINC000766256133 585499293 /nfs/dbraw/zinc/49/92/93/585499293.db2.gz JCALWJYXCQSIHO-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CCc1nc([C@@H](C)NCc2cc(C)oc2C)n[nH]1 ZINC000767394080 585518938 /nfs/dbraw/zinc/51/89/38/585518938.db2.gz YUGVFOUWSFCMFL-SECBINFHSA-N 0 1 248.330 2.428 20 0 BEADMN O=C(OCC1CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000767803564 585526361 /nfs/dbraw/zinc/52/63/61/585526361.db2.gz CFAGUPGPWCGTJA-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN C/C=C/COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767806269 585526374 /nfs/dbraw/zinc/52/63/74/585526374.db2.gz UOYGEEZSSGTFSX-NSCUHMNNSA-N 0 1 243.266 2.205 20 0 BEADMN CCCCC[C@H]1CCCN1CCS(C)(=O)=O ZINC000767904591 585528128 /nfs/dbraw/zinc/52/81/28/585528128.db2.gz DPNQIMUFLVYMJR-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CCC(N)=NOCCN1CCCc2ccccc21 ZINC000767930200 585528374 /nfs/dbraw/zinc/52/83/74/585528374.db2.gz BTHUSIRCSNUWMT-UHFFFAOYSA-N 0 1 247.342 2.348 20 0 BEADMN CC(C)N1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000768240848 585534402 /nfs/dbraw/zinc/53/44/02/585534402.db2.gz ICHIPXXLRCQXEC-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN C[N@@H+](Cc1ccc2c(c1)COC2)C1CC1 ZINC000768336839 585535911 /nfs/dbraw/zinc/53/59/11/585535911.db2.gz YTUOPLHUPHFCRS-UHFFFAOYSA-N 0 1 203.285 2.311 20 0 BEADMN FCCN1CCC(c2cccnc2)CC1 ZINC000768751903 585542436 /nfs/dbraw/zinc/54/24/36/585542436.db2.gz AMELITLSGKUMKO-UHFFFAOYSA-N 0 1 208.280 2.231 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C\Cl)[C@H](C)CN1C ZINC000768773466 585543141 /nfs/dbraw/zinc/54/31/41/585543141.db2.gz VLYBWVGMEMHUJT-CICSDFTJSA-N 0 1 237.174 2.330 20 0 BEADMN Cc1cc(CN2CCCOCC2)c(C)o1 ZINC000768891907 585545559 /nfs/dbraw/zinc/54/55/59/585545559.db2.gz YQMKVNTUVLZDAD-UHFFFAOYSA-N 0 1 209.289 2.119 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cccc2c[nH]nc21 ZINC000768895783 585545621 /nfs/dbraw/zinc/54/56/21/585545621.db2.gz MQYIXKYLHMWQOF-SECBINFHSA-N 0 1 247.298 2.365 20 0 BEADMN Cc1nc(COC(=O)CCC2CCCC2)n[nH]1 ZINC000770639599 585578627 /nfs/dbraw/zinc/57/86/27/585578627.db2.gz FUHUVZHXUKAHGY-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN FCCN1CCC(Cc2cccnc2)CC1 ZINC000771459746 585594771 /nfs/dbraw/zinc/59/47/71/585594771.db2.gz HVBWYVOCIAUQPC-UHFFFAOYSA-N 0 1 222.307 2.306 20 0 BEADMN C[C@H](N[C@@H](CO)C1CC1)c1nc2ccccc2o1 ZINC000771818467 585601315 /nfs/dbraw/zinc/60/13/15/585601315.db2.gz JTGCTIVPRJKXSU-CABZTGNLSA-N 0 1 246.310 2.249 20 0 BEADMN O=C(C[C@H]1CCCCO1)NOc1ccccc1 ZINC000773466938 585637435 /nfs/dbraw/zinc/63/74/35/585637435.db2.gz PCTSPOXZVISOMO-GFCCVEGCSA-N 0 1 235.283 2.056 20 0 BEADMN CSCCOC(=O)[C@H](C(C)C)N1CCCC1 ZINC000773522968 585639187 /nfs/dbraw/zinc/63/91/87/585639187.db2.gz NHWDDZKZFKBIDK-NSHDSACASA-N 0 1 245.388 2.013 20 0 BEADMN Cc1nc(COC(=O)C2=CCCCCC2)n[nH]1 ZINC000774194044 585653390 /nfs/dbraw/zinc/65/33/90/585653390.db2.gz SHIDJRBRSLTRLD-UHFFFAOYSA-N 0 1 235.287 2.047 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccnn2C)c(C)o1 ZINC000774241925 585654971 /nfs/dbraw/zinc/65/49/71/585654971.db2.gz FFCBOJCCXJDMPQ-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc(OCCC2OCCCO2)cc(C)n1 ZINC000774776442 585665593 /nfs/dbraw/zinc/66/55/93/585665593.db2.gz CWUBDJFUGXAPPC-UHFFFAOYSA-N 0 1 237.299 2.230 20 0 BEADMN CC(C)=CCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000775281409 585674981 /nfs/dbraw/zinc/67/49/81/585674981.db2.gz VUWODGJQSMPQOY-SNVBAGLBSA-N 0 1 234.299 2.339 20 0 BEADMN Cc1ccc(CN2CCOCC[C@H]2C)nc1 ZINC000775566828 585680039 /nfs/dbraw/zinc/68/00/39/585680039.db2.gz DCYIGFHIFQUWHP-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN O=C(NOC1CCCC1)c1cccc2cn[nH]c21 ZINC000775598822 585681278 /nfs/dbraw/zinc/68/12/78/585681278.db2.gz QDAXVYGVZCSWOZ-UHFFFAOYSA-N 0 1 245.282 2.167 20 0 BEADMN CCN(CC(=O)NC)CC(C)(C)c1ccccc1 ZINC000775652671 585682576 /nfs/dbraw/zinc/68/25/76/585682576.db2.gz PFMLLJMIXSOEGE-UHFFFAOYSA-N 0 1 248.370 2.032 20 0 BEADMN CCCCC[C@@H](CC)C(=O)NCc1nnc[nH]1 ZINC000775734334 585683689 /nfs/dbraw/zinc/68/36/89/585683689.db2.gz NPURZINUPSAGLU-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN CCCCC[C@H](CC)C(=O)NCc1nnc[nH]1 ZINC000775734332 585683818 /nfs/dbraw/zinc/68/38/18/585683818.db2.gz NPURZINUPSAGLU-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000776476977 585699173 /nfs/dbraw/zinc/69/91/73/585699173.db2.gz QPEPJWPWDMLBJP-UWVGGRQHSA-N 0 1 235.331 2.025 20 0 BEADMN CC(C)COC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000776578571 585700856 /nfs/dbraw/zinc/70/08/56/585700856.db2.gz GNYQTCAWTFEPSK-RYUDHWBXSA-N 0 1 227.348 2.164 20 0 BEADMN CC(C)COC(=O)CN(C)[C@@H](C)C(C)C ZINC000776575696 585701107 /nfs/dbraw/zinc/70/11/07/585701107.db2.gz VRHSKCIZZZIXNG-NSHDSACASA-N 0 1 215.337 2.162 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1CC(=O)OCC(C)C ZINC000776586967 585701898 /nfs/dbraw/zinc/70/18/98/585701898.db2.gz BXENDRMKFMYMPK-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776602386 585702305 /nfs/dbraw/zinc/70/23/05/585702305.db2.gz IORZGRORAUZUCT-GHMZBOCLSA-N 0 1 242.363 2.336 20 0 BEADMN CC(C)COC(=O)CN(CC1CC1)CC1CC1 ZINC000776593570 585702323 /nfs/dbraw/zinc/70/23/23/585702323.db2.gz TXTMAFSXNWKACQ-UHFFFAOYSA-N 0 1 239.359 2.308 20 0 BEADMN Cc1ccc(N[C@@H](C)[C@H]2CCOC2)c(N(C)C)n1 ZINC000777275388 585710092 /nfs/dbraw/zinc/71/00/92/585710092.db2.gz NCFCFBSFLLOXNG-RYUDHWBXSA-N 0 1 249.358 2.293 20 0 BEADMN OCc1ccccc1CNCc1ccc(F)nc1 ZINC000778158641 585726578 /nfs/dbraw/zinc/72/65/78/585726578.db2.gz BGNYKPAWCYRCLX-UHFFFAOYSA-N 0 1 246.285 2.003 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccnc(Cl)c2)C1 ZINC000778396926 585732393 /nfs/dbraw/zinc/73/23/93/585732393.db2.gz AGKLSUCFLIKEMQ-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(Cl)nc2)C1 ZINC000778400834 585733780 /nfs/dbraw/zinc/73/37/80/585733780.db2.gz YOXPMIQTUGTRBH-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC1(C)C[C@@H](NC(=O)C(F)(F)F)C(C)(C)O1 ZINC000778458513 585735267 /nfs/dbraw/zinc/73/52/67/585735267.db2.gz GNGALHXDLJVSOU-ZCFIWIBFSA-N 0 1 239.237 2.011 20 0 BEADMN CC1(C)C[C@H](NC(=O)C(F)(F)F)C(C)(C)O1 ZINC000778458508 585735492 /nfs/dbraw/zinc/73/54/92/585735492.db2.gz GNGALHXDLJVSOU-LURJTMIESA-N 0 1 239.237 2.011 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000778808772 585740879 /nfs/dbraw/zinc/74/08/79/585740879.db2.gz XUDJOBWODMVIKV-NSHDSACASA-N 0 1 247.342 2.335 20 0 BEADMN O[C@@H](CN1CC=CCC1)c1cccc(F)c1 ZINC000778966705 585743016 /nfs/dbraw/zinc/74/30/16/585743016.db2.gz LYLJIJWPWIENIM-ZDUSSCGKSA-N 0 1 221.275 2.121 20 0 BEADMN CN(Cc1ccc(F)nc1)C[C@@H]1CCCCO1 ZINC000779154186 585746247 /nfs/dbraw/zinc/74/62/47/585746247.db2.gz HJQRSYNGQNOLOM-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1n[nH]c(C(=O)NOC2CCCCC2)c1C ZINC000779316648 585750636 /nfs/dbraw/zinc/75/06/36/585750636.db2.gz JRPYZIRKBPUNKZ-UHFFFAOYSA-N 0 1 237.303 2.021 20 0 BEADMN CC/C(C)=C(/C)C(=O)Nc1nc(SC)n[nH]1 ZINC000780920922 585786181 /nfs/dbraw/zinc/78/61/81/585786181.db2.gz MNWSICCDQAVVEQ-SREVYHEPSA-N 0 1 240.332 2.212 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000780986520 585787952 /nfs/dbraw/zinc/78/79/52/585787952.db2.gz NIZRIIMNMLMHIA-DWOQACPDSA-N 0 1 247.342 2.130 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000780995418 585788300 /nfs/dbraw/zinc/78/83/00/585788300.db2.gz NYRWUVPAPGIYRN-KLDSGFLGSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C(F)(F)F ZINC000781358044 585795139 /nfs/dbraw/zinc/79/51/39/585795139.db2.gz YQURGFKHPFHYHM-UHFFFAOYSA-N 0 1 243.135 2.157 20 0 BEADMN COC(=O)[C@@]1(F)CCN(CCCC(C)(C)C)C1 ZINC000781897896 585804957 /nfs/dbraw/zinc/80/49/57/585804957.db2.gz FBZJIJSQXNNNOO-CYBMUJFWSA-N 0 1 245.338 2.400 20 0 BEADMN CCCC[C@H](C)N(C)CCS(=O)(=O)C(C)C ZINC000782191398 585811372 /nfs/dbraw/zinc/81/13/72/585811372.db2.gz QXHCLBKHYWFNTR-LBPRGKRZSA-N 0 1 249.420 2.320 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1CC[C@H]2C[C@H]21 ZINC000782486487 585819025 /nfs/dbraw/zinc/81/90/25/585819025.db2.gz MCMUUKCJXAPTRW-TUAOUCFPSA-N 0 1 225.332 2.058 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1C ZINC000782524062 585819556 /nfs/dbraw/zinc/81/95/56/585819556.db2.gz HNVORMMADIFUMB-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN CC(C)[C@H](C(=O)OC1CC1)N1CCCCC1 ZINC000783187122 585829346 /nfs/dbraw/zinc/82/93/46/585829346.db2.gz SKDHPXCCGIXRKI-GFCCVEGCSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](NC[C@H]1CCC=CO1)c1ccn(C)n1 ZINC000783308463 585833654 /nfs/dbraw/zinc/83/36/54/585833654.db2.gz DYOBPUNGGRDKPL-NEPJUHHUSA-N 0 1 235.331 2.154 20 0 BEADMN COC[C@H](C)CNc1ccc(C)nc1N(C)C ZINC000783648945 585839258 /nfs/dbraw/zinc/83/92/58/585839258.db2.gz CDMHQPMWXBFTOM-SNVBAGLBSA-N 0 1 237.347 2.150 20 0 BEADMN Cc1ccc(NCC[C@@H]2CCOC2)c(N(C)C)n1 ZINC000783652065 585839350 /nfs/dbraw/zinc/83/93/50/585839350.db2.gz ZGFQHEYGNBUWON-GFCCVEGCSA-N 0 1 249.358 2.295 20 0 BEADMN CC(C)[C@H](F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000784365704 585857234 /nfs/dbraw/zinc/85/72/34/585857234.db2.gz NCUPGDSEZVWVPA-NSHDSACASA-N 0 1 235.262 2.496 20 0 BEADMN Cc1nonc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000784520006 585861973 /nfs/dbraw/zinc/86/19/73/585861973.db2.gz ZZHAQLAUMXCZHQ-SNVBAGLBSA-N 0 1 223.320 2.246 20 0 BEADMN COC[C@@H](C)OC(=O)c1c(C)n[nH]c1C(C)C ZINC000784879729 585867403 /nfs/dbraw/zinc/86/74/03/585867403.db2.gz MEXRMXXKKRCUCQ-MRVPVSSYSA-N 0 1 240.303 2.033 20 0 BEADMN O=C(OC/C=C/Cl)c1cccc2[nH]ncc21 ZINC000785596121 585876275 /nfs/dbraw/zinc/87/62/75/585876275.db2.gz ZRGBMUQNWCXBFK-GORDUTHDSA-N 0 1 236.658 2.472 20 0 BEADMN O=C(OC/C=C\Cl)c1cccc2[nH]ncc21 ZINC000785596120 585876383 /nfs/dbraw/zinc/87/63/83/585876383.db2.gz ZRGBMUQNWCXBFK-DJWKRKHSSA-N 0 1 236.658 2.472 20 0 BEADMN CSCCCOC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785732645 585878853 /nfs/dbraw/zinc/87/88/53/585878853.db2.gz OHTLRTFLMUUPFM-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OCCC1CC1 ZINC000785744589 585879357 /nfs/dbraw/zinc/87/93/57/585879357.db2.gz QBAZTANPTBXGTF-QWRGUYRKSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H]1CC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000786935169 585898845 /nfs/dbraw/zinc/89/88/45/585898845.db2.gz AUKBTBUJQVTLLB-WCQYABFASA-N 0 1 242.326 2.155 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc2[nH]ccc2c1 ZINC000787366226 585907956 /nfs/dbraw/zinc/90/79/56/585907956.db2.gz NSJSYJDGJIEBGX-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CC(C)CCOC(=O)[C@H](C(C)C)N(C)C ZINC000787959637 585917820 /nfs/dbraw/zinc/91/78/20/585917820.db2.gz FPFZMHKLXSHOFQ-NSHDSACASA-N 0 1 215.337 2.162 20 0 BEADMN CC1(C)CN(C[C@@H](O)c2ccccc2F)C1 ZINC000788435387 585923019 /nfs/dbraw/zinc/92/30/19/585923019.db2.gz QUKIQHDJEXEHAL-GFCCVEGCSA-N 0 1 223.291 2.201 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCC[C@H](C)O)no1 ZINC000789304820 585939162 /nfs/dbraw/zinc/93/91/62/585939162.db2.gz FFPDBPFBIFLEPG-GWCFXTLKSA-N 0 1 238.331 2.281 20 0 BEADMN CC(C)[C@@H](C(=O)OCc1ccsc1)N(C)C ZINC000789803527 585950216 /nfs/dbraw/zinc/95/02/16/585950216.db2.gz SQZCNHVXDFVMAS-NSHDSACASA-N 0 1 241.356 2.378 20 0 BEADMN Cc1ccc(C(=O)Nc2c[nH]nn2)cc1Cl ZINC000789926858 585953549 /nfs/dbraw/zinc/95/35/49/585953549.db2.gz YWSCOHMQMHEAST-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000789927063 585953885 /nfs/dbraw/zinc/95/38/85/585953885.db2.gz OWXCNFVJRJMFHG-GARJFASQSA-N 0 1 248.330 2.350 20 0 BEADMN CCCC[C@@H](CC)CC(=O)Nc1c[nH]nn1 ZINC000789929453 585954097 /nfs/dbraw/zinc/95/40/97/585954097.db2.gz XZCKFMSUUFPHBL-SECBINFHSA-N 0 1 224.308 2.350 20 0 BEADMN CC[C@H](CC(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789929458 585954108 /nfs/dbraw/zinc/95/41/08/585954108.db2.gz YEDPDGQHKAVVSX-SNVBAGLBSA-N 0 1 244.298 2.327 20 0 BEADMN O=C(OCC1=CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000790824077 585969606 /nfs/dbraw/zinc/96/96/06/585969606.db2.gz IYRFXISWAJDAER-LLVKDONJSA-N 0 1 246.310 2.483 20 0 BEADMN O=C(Nc1c[nH]nn1)C1CCCCCCC1 ZINC000791147798 585974482 /nfs/dbraw/zinc/97/44/82/585974482.db2.gz KKMNKIHLYQMNQQ-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccnc(F)c2)C1 ZINC000859276145 589026985 /nfs/dbraw/zinc/02/69/85/589026985.db2.gz GHDHZJBXSGIEOM-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@@H](C)[C@@H](C)O1 ZINC000791540990 585983553 /nfs/dbraw/zinc/98/35/53/585983553.db2.gz DYLJGWKQZWZDJJ-QVHKTLOISA-N 0 1 249.354 2.218 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccccc1F ZINC000791572315 585984245 /nfs/dbraw/zinc/98/42/45/585984245.db2.gz DAAURDOIULYVDC-BREBYQMCSA-N 0 1 223.291 2.342 20 0 BEADMN Cc1ccnc(CN2CCOCC[C@H]2C)c1 ZINC000792279790 585999032 /nfs/dbraw/zinc/99/90/32/585999032.db2.gz AXWHVEXILIIELH-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ncc2c(n1)CCC[C@@H]2NCC1(F)CC1 ZINC000792977756 586007894 /nfs/dbraw/zinc/00/78/94/586007894.db2.gz MUUWTALGJOQYLL-NSHDSACASA-N 0 1 235.306 2.254 20 0 BEADMN O=C(OCc1ccoc1)c1ccc2cncn2c1 ZINC000793127327 586011315 /nfs/dbraw/zinc/01/13/15/586011315.db2.gz RCWYRQLGCACYPF-UHFFFAOYSA-N 0 1 242.234 2.284 20 0 BEADMN CC(C)CN(CCO)Cc1cccnc1Cl ZINC000793366354 586017729 /nfs/dbraw/zinc/01/77/29/586017729.db2.gz QRIWOTMTDNVGHU-UHFFFAOYSA-N 0 1 242.750 2.185 20 0 BEADMN O=C(CCc1nc[nH]n1)O[C@H]1C=CCCCCC1 ZINC000793400269 586018373 /nfs/dbraw/zinc/01/83/73/586018373.db2.gz WNYCYBHVYZZNNQ-NSHDSACASA-N 0 1 249.314 2.169 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)c2ccc[nH]2)n(C)n1 ZINC000793545856 586022555 /nfs/dbraw/zinc/02/25/55/586022555.db2.gz DDRZWTLEJRSNOI-QWRGUYRKSA-N 0 1 232.331 2.468 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC(C)=C(C)C2)C1 ZINC000794878155 586053229 /nfs/dbraw/zinc/05/32/29/586053229.db2.gz ARRWHRBRZDNJBK-ZDUSSCGKSA-N 0 1 236.359 2.245 20 0 BEADMN Cc1ccoc1CN(C)CCC(=O)C1CC1 ZINC000795178280 586070650 /nfs/dbraw/zinc/07/06/50/586070650.db2.gz XNBJEBPYOOXCLO-UHFFFAOYSA-N 0 1 221.300 2.389 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2CCCC2)n1 ZINC000795230883 586072648 /nfs/dbraw/zinc/07/26/48/586072648.db2.gz BPYBBWBQPZOXDX-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)C2CCCC2)n[nH]1 ZINC000795230883 586072650 /nfs/dbraw/zinc/07/26/50/586072650.db2.gz BPYBBWBQPZOXDX-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)c2ccccc2)n1 ZINC000795251939 586073794 /nfs/dbraw/zinc/07/37/94/586073794.db2.gz DJBCPNGWWBPICQ-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(C)c1nc(COC(=O)c2ccccc2)n[nH]1 ZINC000795251939 586073797 /nfs/dbraw/zinc/07/37/97/586073797.db2.gz DJBCPNGWWBPICQ-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CCC(F)F)n1 ZINC000795576964 586086416 /nfs/dbraw/zinc/08/64/16/586086416.db2.gz VYPGUUBTGBMVHH-UHFFFAOYSA-N 0 1 247.245 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)CCC(F)F)n[nH]1 ZINC000795576964 586086417 /nfs/dbraw/zinc/08/64/17/586086417.db2.gz VYPGUUBTGBMVHH-UHFFFAOYSA-N 0 1 247.245 2.017 20 0 BEADMN CC[C@@H](C)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000795649654 586090011 /nfs/dbraw/zinc/09/00/11/586090011.db2.gz CQTDIFKSFRZSOI-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN c1nc(CN[C@@H](c2cccnc2)C2CC2)c[nH]1 ZINC000796447846 586103376 /nfs/dbraw/zinc/10/33/76/586103376.db2.gz FVDGMIWOQNUHGR-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN FC1(F)CCN(CCO[C@H]2CCCCO2)CC1 ZINC000796542142 586105702 /nfs/dbraw/zinc/10/57/02/586105702.db2.gz AZOIMRZUZNVBHW-NSHDSACASA-N 0 1 249.301 2.261 20 0 BEADMN O=C(CCN1CCC(F)(F)CC1)C1CC1 ZINC000796538197 586106600 /nfs/dbraw/zinc/10/66/00/586106600.db2.gz FKMXHAIBPWTJQN-UHFFFAOYSA-N 0 1 217.259 2.087 20 0 BEADMN CCC[C@@](C)(CC)C(=O)OCc1n[nH]c(C)n1 ZINC000796767673 586112015 /nfs/dbraw/zinc/11/20/15/586112015.db2.gz IKQROSBYPFUJGA-GFCCVEGCSA-N 0 1 239.319 2.373 20 0 BEADMN C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1ncc[nH]1 ZINC000796798736 586113214 /nfs/dbraw/zinc/11/32/14/586113214.db2.gz QOZBQOYWZTYVCR-MXWKQRLJSA-N 0 1 249.314 2.166 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CC(C)=C[C@@H](C)C2)C1 ZINC000797416060 586126498 /nfs/dbraw/zinc/12/64/98/586126498.db2.gz GJSMMLXOALLGOS-YPMHNXCESA-N 0 1 236.359 2.100 20 0 BEADMN CCc1cc(CNC(=O)c2ccoc2CC)n[nH]1 ZINC000797726525 586130642 /nfs/dbraw/zinc/13/06/42/586130642.db2.gz IHBJKIHJVJUXCU-UHFFFAOYSA-N 0 1 247.298 2.058 20 0 BEADMN CCCCCCNC(=O)CN1CCC=C(C)C1 ZINC000797998733 586135681 /nfs/dbraw/zinc/13/56/81/586135681.db2.gz LEFRBDSRJMGWMT-UHFFFAOYSA-N 0 1 238.375 2.335 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC[S@@](C)=O)cc1 ZINC000798193602 586139669 /nfs/dbraw/zinc/13/96/69/586139669.db2.gz MLGQMYYEHHKPGY-MLGOLLRUSA-N 0 1 239.384 2.366 20 0 BEADMN Cc1cc(CC(=O)OC[C@@H](C)CC(C)C)n[nH]1 ZINC000798633000 586146980 /nfs/dbraw/zinc/14/69/80/586146980.db2.gz GAFLTGDXWREONF-JTQLQIEISA-N 0 1 238.331 2.486 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1CC[C@@H](C)C1)N(C)C ZINC000798850250 586151627 /nfs/dbraw/zinc/15/16/27/586151627.db2.gz MESHUIVNRLZWIL-IJLUTSLNSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1CC[C@@H](C)C1)N(C)C ZINC000798850248 586151654 /nfs/dbraw/zinc/15/16/54/586151654.db2.gz MESHUIVNRLZWIL-GRYCIOLGSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1=CCCC1)N(C)C ZINC000798864748 586151819 /nfs/dbraw/zinc/15/18/19/586151819.db2.gz WFYVMSQYLDMRBI-LBPRGKRZSA-N 0 1 225.332 2.226 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H](C)C1CC1)N(C)C ZINC000798863552 586151834 /nfs/dbraw/zinc/15/18/34/586151834.db2.gz GXYODEHWUXVVFI-ZYHUDNBSSA-N 0 1 227.348 2.162 20 0 BEADMN CCC[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798859493 586151863 /nfs/dbraw/zinc/15/18/63/586151863.db2.gz JCIIIJXGZCFDJJ-MNOVXSKESA-N 0 1 215.337 2.304 20 0 BEADMN Cc1cc([C@H](C)NC[C@H]2CCC=CO2)nn1C ZINC000800490080 586222556 /nfs/dbraw/zinc/22/25/56/586222556.db2.gz HBHJVCVOMRZEAN-NWDGAFQWSA-N 0 1 235.331 2.072 20 0 BEADMN CC1(C)CCC(C)(C)N(Cc2cnon2)C1 ZINC000859473947 589040094 /nfs/dbraw/zinc/04/00/94/589040094.db2.gz LDQWMPJYXLJRLJ-UHFFFAOYSA-N 0 1 223.320 2.470 20 0 BEADMN CO[C@@H](C[N@H+]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000801936046 586278809 /nfs/dbraw/zinc/27/88/09/586278809.db2.gz OGDFZIWMEZRXOL-HIFRSBDPSA-N 0 1 248.370 2.010 20 0 BEADMN CCCCN(CC)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839958432 586296254 /nfs/dbraw/zinc/29/62/54/586296254.db2.gz JSSZHQLGLOLTBY-NEPJUHHUSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@@H](N(C)CN1C(=O)[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000839961243 586301094 /nfs/dbraw/zinc/30/10/94/586301094.db2.gz WTDAHJAVSUCZME-UTUOFQBUSA-N 0 1 238.375 2.321 20 0 BEADMN CCC[C@H](C)CN1CCO[C@@H](C(F)F)C1 ZINC000802654799 586308847 /nfs/dbraw/zinc/30/88/47/586308847.db2.gz ZYWIZCLRWOLOCS-VHSXEESVSA-N 0 1 221.291 2.389 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)Cc1[nH]nc2ccccc21 ZINC000859520257 589042483 /nfs/dbraw/zinc/04/24/83/589042483.db2.gz HOPCMJNFWYICEM-UWVGGRQHSA-N 0 1 244.294 2.305 20 0 BEADMN Cc1nc([C@@H](C)SC2=NCCS2)n[nH]1 ZINC000839978624 586313244 /nfs/dbraw/zinc/31/32/44/586313244.db2.gz MXPHKKYFIXRUGH-RXMQYKEDSA-N 0 1 228.346 2.010 20 0 BEADMN CC1(C)CCN(CN2CCC(C)(C)CC2)C1=O ZINC000839984860 586326469 /nfs/dbraw/zinc/32/64/69/586326469.db2.gz GKCMYYSYLMDCTA-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@H](C)CN(C)CN1CCC(C)(C)C1=O ZINC000839991214 586333554 /nfs/dbraw/zinc/33/35/54/586333554.db2.gz CAYCLRPTYQXBBD-NSHDSACASA-N 0 1 226.364 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839990869 586334016 /nfs/dbraw/zinc/33/40/16/586334016.db2.gz AJCKZIGGQIWNCD-QJPTWQEYSA-N 0 1 226.364 2.036 20 0 BEADMN CC(C)[C@H](C(=O)OCCCCF)N1CCCC1 ZINC000803362104 586347383 /nfs/dbraw/zinc/34/73/83/586347383.db2.gz VITUWEBEQVPEOM-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN O=C(OCCCCF)[C@H]1CCCc2[nH]ncc21 ZINC000803390813 586350050 /nfs/dbraw/zinc/35/00/50/586350050.db2.gz LPYHTBVEOQJYNX-VIFPVBQESA-N 0 1 240.278 2.123 20 0 BEADMN CCN(CN1C[C@@H]2CCC[C@H]2C1=O)C1CCC1 ZINC000840000597 586353232 /nfs/dbraw/zinc/35/32/32/586353232.db2.gz PWYJDLSZBNORFA-WCQYABFASA-N 0 1 236.359 2.077 20 0 BEADMN CN(CN1CCC(C)(C)C1=O)CC(C)(C)C ZINC000840003098 586359556 /nfs/dbraw/zinc/35/95/56/586359556.db2.gz KACNKRJVXLHZKN-UHFFFAOYSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2cccc(F)c2)n[nH]1 ZINC000840011912 586367738 /nfs/dbraw/zinc/36/77/38/586367738.db2.gz MUXSVUBSFPCKQX-ZETCQYMHSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@H](N(C)CN1CCC(C)(C)C1=O)C1(C)CC1 ZINC000840025961 586383542 /nfs/dbraw/zinc/38/35/42/586383542.db2.gz ZYDJLQQIMGJCKY-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H]2C[C@H]21 ZINC000804292523 586387758 /nfs/dbraw/zinc/38/77/58/586387758.db2.gz GFVAHDSWVDWSOE-JOYOIKCWSA-N 0 1 241.294 2.187 20 0 BEADMN CN(C[C@@H]1CC=CCC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840043552 586392974 /nfs/dbraw/zinc/39/29/74/586392974.db2.gz LSNSGGQRGBRMGQ-MCIONIFRSA-N 0 1 248.370 2.243 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(CC)C[C@H]1C ZINC000804380264 586393894 /nfs/dbraw/zinc/39/38/94/586393894.db2.gz SVMAFAAGJVGNMV-RSKUSDAESA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H]1CCN(CN2CC[C@H](C)C(C)(C)C2)C1=O ZINC000840049578 586398335 /nfs/dbraw/zinc/39/83/35/586398335.db2.gz SONYNGCBCGZVCF-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CCC(C)C)n[nH]1 ZINC000840094610 586444776 /nfs/dbraw/zinc/44/47/76/586444776.db2.gz HPJVDPPRQWLSAE-MRVPVSSYSA-N 0 1 225.292 2.154 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2CCO[C@H](C)C2)n1 ZINC000843150111 586448222 /nfs/dbraw/zinc/44/82/22/586448222.db2.gz GEAXJKSWTGNMOH-KXUCPTDWSA-N 0 1 239.319 2.008 20 0 BEADMN CCCN(CN1CC(C)(C)CC1=O)C1CC1 ZINC000808153644 586464585 /nfs/dbraw/zinc/46/45/85/586464585.db2.gz FLBKWYKVAGDECN-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000808164259 586465477 /nfs/dbraw/zinc/46/54/77/586465477.db2.gz FQUKAHCXLQZPNX-DGCLKSJQSA-N 0 1 224.348 2.077 20 0 BEADMN CCN(CN1C[C@](C)(CC)CC1=O)C1CCC1 ZINC000808159821 586465784 /nfs/dbraw/zinc/46/57/84/586465784.db2.gz KOWPGEPBEZMYHE-CQSZACIVSA-N 0 1 238.375 2.467 20 0 BEADMN CC1(C)CC(=O)N(CN2CCCC3(CC3)C2)C1 ZINC000808179748 586467135 /nfs/dbraw/zinc/46/71/35/586467135.db2.gz YGKPJCKZVBCBOS-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN S=c1[nH]ccn1CN1CCC[C@H](C2CC2)C1 ZINC000808231150 586468460 /nfs/dbraw/zinc/46/84/60/586468460.db2.gz YXQOFRYHVPISDB-NSHDSACASA-N 0 1 237.372 2.251 20 0 BEADMN CC(C)C(=O)CCN1C[C@H](C)OC(C)(C)C1 ZINC000808713901 586483902 /nfs/dbraw/zinc/48/39/02/586483902.db2.gz SZWVEEPDQMFVII-NSHDSACASA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@@H](C)[C@H]1C ZINC000808749606 586487412 /nfs/dbraw/zinc/48/74/12/586487412.db2.gz BXMOJMZPMMAFAI-UTUOFQBUSA-N 0 1 227.348 2.099 20 0 BEADMN CCN(CN1C[C@H](C)CC1=O)C1CC(C)(C)C1 ZINC000840184986 586520758 /nfs/dbraw/zinc/52/07/58/586520758.db2.gz UZYGHJWNOUUYDZ-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC(F)(F)[C@@H](C)C1 ZINC000810046574 586532381 /nfs/dbraw/zinc/53/23/81/586532381.db2.gz WYBCSLSZNASTPE-FWAPLPHYSA-N 0 1 247.285 2.083 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1(F)CCCCC1 ZINC000810183783 586536524 /nfs/dbraw/zinc/53/65/24/586536524.db2.gz FFFKZFLTQZKNEG-UHFFFAOYSA-N 0 1 239.294 2.007 20 0 BEADMN Cc1ccc([C@@H](C)NCc2cncn2C)c(C)n1 ZINC000810244047 586537110 /nfs/dbraw/zinc/53/71/10/586537110.db2.gz YEEIKNZZWBYERP-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC000840230847 586559353 /nfs/dbraw/zinc/55/93/53/586559353.db2.gz LTTQEYWNUKXTJL-YUMQZZPRSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H](c2ccccn2)C1 ZINC000811500501 586559915 /nfs/dbraw/zinc/55/99/15/586559915.db2.gz FLBHHUIMWJVGLP-LBPRGKRZSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cnc(CNCC2Cc3ccccc3C2)o1 ZINC000811494542 586560145 /nfs/dbraw/zinc/56/01/45/586560145.db2.gz WFVROHOJVWSZCB-UHFFFAOYSA-N 0 1 242.322 2.488 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CC23CCCC3)n[nH]1 ZINC000840250377 586574635 /nfs/dbraw/zinc/57/46/35/586574635.db2.gz MVDIKXZZYYVPIO-WCBMZHEXSA-N 0 1 249.314 2.298 20 0 BEADMN CC(C)=C(C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840264207 586583306 /nfs/dbraw/zinc/58/33/06/586583306.db2.gz FNUVRWJAAKXBAC-MRVPVSSYSA-N 0 1 223.276 2.074 20 0 BEADMN CCC(=O)c1ccc(O)c(NC(=O)C(F)F)c1 ZINC000812708079 586583464 /nfs/dbraw/zinc/58/34/64/586583464.db2.gz KUVMIGAHEZIXLM-UHFFFAOYSA-N 0 1 243.209 2.189 20 0 BEADMN CCN(Cc1ccc(F)nc1C)[C@@H]1CCOC1 ZINC000812780604 586584301 /nfs/dbraw/zinc/58/43/01/586584301.db2.gz KGFQAIBCUBUJLN-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CC[C@H](C)CON=c1c(C)c(C)[nH]c2ncnn21 ZINC000813622473 586604618 /nfs/dbraw/zinc/60/46/18/586604618.db2.gz QDWWMDNPIWHPOM-QMMMGPOBSA-N 0 1 249.318 2.131 20 0 BEADMN CCC[C@H](C)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000814179430 586616029 /nfs/dbraw/zinc/61/60/29/586616029.db2.gz SZNLGWIVYYQZKM-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CN(C[C@H]1CC=CCC1)[C@H]1CC(C)(C)OC1=O ZINC000814179684 586616052 /nfs/dbraw/zinc/61/60/52/586616052.db2.gz GGVHUMMAFWEPLU-RYUDHWBXSA-N 0 1 237.343 2.369 20 0 BEADMN CC(C)=CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814354290 586621363 /nfs/dbraw/zinc/62/13/63/586621363.db2.gz IEYNQICYADBHEP-UHFFFAOYSA-N 0 1 237.303 2.112 20 0 BEADMN CC(C)=CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814354290 586621364 /nfs/dbraw/zinc/62/13/64/586621364.db2.gz IEYNQICYADBHEP-UHFFFAOYSA-N 0 1 237.303 2.112 20 0 BEADMN C[C@@H](F)CCNCc1cn(-c2ccccc2)nn1 ZINC000815148952 586670263 /nfs/dbraw/zinc/67/02/63/586670263.db2.gz RRFCNCMFKOJTFS-LLVKDONJSA-N 0 1 248.305 2.105 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2cccc(F)c2)[C@H]1C ZINC000815163094 586671488 /nfs/dbraw/zinc/67/14/88/586671488.db2.gz HAPBGFMVAQBQQY-GBIKHYSHSA-N 0 1 223.291 2.199 20 0 BEADMN CCCCCCN1CCO[C@@H](COCC)C1 ZINC000859770728 589059794 /nfs/dbraw/zinc/05/97/94/589059794.db2.gz TWRNHPQWJIDXAF-CYBMUJFWSA-N 0 1 229.364 2.304 20 0 BEADMN Cc1ccoc1COC(=O)[C@@H](C(C)C)N(C)C ZINC000816100375 586708051 /nfs/dbraw/zinc/70/80/51/586708051.db2.gz AYDHOWIFDVVTMF-GFCCVEGCSA-N 0 1 239.315 2.217 20 0 BEADMN C[C@H]1CCN(Cc2cnn(C)c2Cl)[C@H]1C ZINC000816519948 586738051 /nfs/dbraw/zinc/73/80/51/586738051.db2.gz ATVBGLWGUZJBPK-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN CC(F)(F)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000816514286 586738069 /nfs/dbraw/zinc/73/80/69/586738069.db2.gz SEWLMAUOONJSMT-UHFFFAOYSA-N 0 1 243.188 2.296 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)c2Cl)[C@H]1C ZINC000816519946 586738676 /nfs/dbraw/zinc/73/86/76/586738676.db2.gz ATVBGLWGUZJBPK-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000859809485 589062611 /nfs/dbraw/zinc/06/26/11/589062611.db2.gz USGVRFWJQVFKGC-XQQFMLRXSA-N 0 1 237.343 2.385 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000859809486 589062707 /nfs/dbraw/zinc/06/27/07/589062707.db2.gz USGVRFWJQVFKGC-YNEHKIRRSA-N 0 1 237.343 2.385 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)[C@H]2C)cn1 ZINC000816646877 586748979 /nfs/dbraw/zinc/74/89/79/586748979.db2.gz KAMPYHTZORQYPZ-WDEREUQCSA-N 0 1 207.321 2.304 20 0 BEADMN C[C@H]1CN(Cc2n[nH]c3ccccc32)[C@H]1C ZINC000816647835 586750304 /nfs/dbraw/zinc/75/03/04/586750304.db2.gz YUUGYJSHNAEBHY-UWVGGRQHSA-N 0 1 215.300 2.403 20 0 BEADMN COc1ccc(CN2C[C@H](C)[C@@H]2C)cc1O ZINC000816649218 586751768 /nfs/dbraw/zinc/75/17/68/586751768.db2.gz VXFQOBQKCIJWGU-UWVGGRQHSA-N 0 1 221.300 2.241 20 0 BEADMN C/C=C\C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017309 586779032 /nfs/dbraw/zinc/77/90/32/586779032.db2.gz INEREVUTDJEUBS-ARJAWSKDSA-N 0 1 215.256 2.386 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000817197963 586785148 /nfs/dbraw/zinc/78/51/48/586785148.db2.gz GDCIRRIBMCDFIO-AYHFEMFVSA-N 0 1 249.314 2.154 20 0 BEADMN FCC[C@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000859908596 589069805 /nfs/dbraw/zinc/06/98/05/589069805.db2.gz NRRLSODWFWUVNE-JTQLQIEISA-N 0 1 237.265 2.092 20 0 BEADMN O=C(CCN1CCc2c(O)cccc2C1)C1CC1 ZINC000859946343 589072646 /nfs/dbraw/zinc/07/26/46/589072646.db2.gz JYGHQHFWWBGTSV-UHFFFAOYSA-N 0 1 245.322 2.120 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CCC23CCC3)n1 ZINC000818345379 586887139 /nfs/dbraw/zinc/88/71/39/586887139.db2.gz MFQSCOROUKCPET-GFCCVEGCSA-N 0 1 234.347 2.029 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CCC23CCC3)n1 ZINC000818345380 586887384 /nfs/dbraw/zinc/88/73/84/586887384.db2.gz MFQSCOROUKCPET-LBPRGKRZSA-N 0 1 234.347 2.029 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818752520 586911281 /nfs/dbraw/zinc/91/12/81/586911281.db2.gz FDJQYUCBLMNXQK-JTQLQIEISA-N 0 1 229.396 2.051 20 0 BEADMN Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)[O-])n1 ZINC000818944235 586916501 /nfs/dbraw/zinc/91/65/01/586916501.db2.gz JJRFKUXRAFOYSZ-GFCCVEGCSA-N 0 1 234.299 2.002 20 0 BEADMN CCC(=CC(=O)N1CCN(C)C[C@H]1CC)CC ZINC000818978659 586919488 /nfs/dbraw/zinc/91/94/88/586919488.db2.gz YASAWTWPJKZCGF-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN Cn1cccc1[C@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000819072430 586928847 /nfs/dbraw/zinc/92/88/47/586928847.db2.gz SDLWPFYVKLMBHS-GFCCVEGCSA-N 0 1 236.315 2.027 20 0 BEADMN CCc1ncc(CNC[C@@H](O)c2ccccc2)o1 ZINC000819354044 586955985 /nfs/dbraw/zinc/95/59/85/586955985.db2.gz FQMDBLSBNQQTCX-CYBMUJFWSA-N 0 1 246.310 2.060 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C(F)=C1CCC1 ZINC000819361346 586956931 /nfs/dbraw/zinc/95/69/31/586956931.db2.gz MZQHTTQQGOMLNB-UHFFFAOYSA-N 0 1 246.245 2.304 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1nccc2ccccc21 ZINC000819895359 587000847 /nfs/dbraw/zinc/00/08/47/587000847.db2.gz GMEAZZWCWZCFJG-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)CN1CCCC1 ZINC000820116006 587023775 /nfs/dbraw/zinc/02/37/75/587023775.db2.gz NZRLIBPBEORDOQ-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CC(NC(=O)CN2CCCC2)C[C@@H](C)C1 ZINC000820188141 587033155 /nfs/dbraw/zinc/03/31/55/587033155.db2.gz FQDYIZJSKGYJCS-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CC(NC(=O)CN2CCCC2)C[C@H](C)C1 ZINC000820188142 587033315 /nfs/dbraw/zinc/03/33/15/587033315.db2.gz FQDYIZJSKGYJCS-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)CN1CCCC1 ZINC000820188017 587033368 /nfs/dbraw/zinc/03/33/68/587033368.db2.gz BRJLMDGLPNWRPC-ZDUSSCGKSA-N 0 1 238.375 2.263 20 0 BEADMN CC1(C)CCC(NC(=O)CN2CCCC2)CC1 ZINC000820242617 587037569 /nfs/dbraw/zinc/03/75/69/587037569.db2.gz WLIOGUZFPALLOV-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](C)[C@H]([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC000820469153 587050711 /nfs/dbraw/zinc/05/07/11/587050711.db2.gz YBAANNIHUHKYTP-XVKPBYJWSA-N 0 1 242.344 2.040 20 0 BEADMN CCc1ncc(C[N@H+](CC(=O)[O-])C(C)C)s1 ZINC000820498441 587051616 /nfs/dbraw/zinc/05/16/16/587051616.db2.gz CTEFTSUGOZQUQY-UHFFFAOYSA-N 0 1 242.344 2.001 20 0 BEADMN CCc1ncc(C[N@@H+](CC(=O)[O-])C(C)C)s1 ZINC000820498441 587051617 /nfs/dbraw/zinc/05/16/17/587051617.db2.gz CTEFTSUGOZQUQY-UHFFFAOYSA-N 0 1 242.344 2.001 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cscc1Cl ZINC000820585826 587056159 /nfs/dbraw/zinc/05/61/59/587056159.db2.gz AVOJCSDQMCUFSK-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(CF)cc1 ZINC000820585874 587056474 /nfs/dbraw/zinc/05/64/74/587056474.db2.gz CMTOMVJPGIWRNJ-UHFFFAOYSA-N 0 1 225.263 2.063 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc(F)c2O)[C@H]1C ZINC000820650671 587062050 /nfs/dbraw/zinc/06/20/50/587062050.db2.gz NYYQYOJWQLTAFD-YUMQZZPRSA-N 0 1 223.247 2.012 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CCC1(C)CC1 ZINC000820722623 587068417 /nfs/dbraw/zinc/06/84/17/587068417.db2.gz ZIMHZFSLMVHAQX-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(OC1CC1)c1cc2[nH]cnc2cc1F ZINC000820732494 587069250 /nfs/dbraw/zinc/06/92/50/587069250.db2.gz YKUCJSPTPQFLCW-UHFFFAOYSA-N 0 1 220.203 2.021 20 0 BEADMN CC1(C)CCCC[C@H]1NC(=O)CN1CCCC1 ZINC000820825212 587075036 /nfs/dbraw/zinc/07/50/36/587075036.db2.gz PBWXQYKMNGGACL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)CC1CCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000820895784 587079987 /nfs/dbraw/zinc/07/99/87/587079987.db2.gz JGGKMPLXFZMEBK-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@@H]1C1CC1 ZINC000821149103 587098915 /nfs/dbraw/zinc/09/89/15/587098915.db2.gz GWZLGCADJXPWLO-LLVKDONJSA-N 0 1 235.258 2.156 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000840411624 587099496 /nfs/dbraw/zinc/09/94/96/587099496.db2.gz LWDWNOHNSRHYNH-OYNCUSHFSA-N 0 1 237.303 2.154 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000821300995 587105985 /nfs/dbraw/zinc/10/59/85/587105985.db2.gz FJTNVLSOBYMDMN-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](CC)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000821323870 587107813 /nfs/dbraw/zinc/10/78/13/587107813.db2.gz IZGNHHGWQJZFNY-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000821479990 587121335 /nfs/dbraw/zinc/12/13/35/587121335.db2.gz ALKFAAHZVFHKAT-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000821512020 587124339 /nfs/dbraw/zinc/12/43/39/587124339.db2.gz YZTBCYDHBMKBIJ-CHWSQXEVSA-N 0 1 245.322 2.123 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000821511239 587124380 /nfs/dbraw/zinc/12/43/80/587124380.db2.gz DWGSLKTXQANDFE-BIOMNHJASA-N 0 1 249.285 2.245 20 0 BEADMN C/C=C/COC(=O)c1cc2[nH]cnc2cc1F ZINC000821621434 587132837 /nfs/dbraw/zinc/13/28/37/587132837.db2.gz RZYVFSWQTSPYKT-NSCUHMNNSA-N 0 1 234.230 2.435 20 0 BEADMN O=C(OC1CCC1)c1cc2[nH]cnc2cc1F ZINC000821624236 587133459 /nfs/dbraw/zinc/13/34/59/587133459.db2.gz CKBUUHCLCRMMJE-UHFFFAOYSA-N 0 1 234.230 2.411 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1CCC12CCC2)N(C)C ZINC000821793863 587138347 /nfs/dbraw/zinc/13/83/47/587138347.db2.gz HDUQWJCMGFGMDB-NWDGAFQWSA-N 0 1 239.359 2.449 20 0 BEADMN CCC(F)(F)C(=O)N[C@H](C)CN1CCCCC1 ZINC000821830571 587141284 /nfs/dbraw/zinc/14/12/84/587141284.db2.gz MOLPUKIKKHRWKV-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CCCC23CC3)n[nH]1 ZINC000860176040 589087391 /nfs/dbraw/zinc/08/73/91/589087391.db2.gz MIDBETWWGIYJJQ-WPRPVWTQSA-N 0 1 249.314 2.298 20 0 BEADMN ClC1(Cl)C[C@H]1CCN1CCCOCC1 ZINC000822593103 587176255 /nfs/dbraw/zinc/17/62/55/587176255.db2.gz RINFDIUJTUWIAP-SECBINFHSA-N 0 1 238.158 2.293 20 0 BEADMN CC[C@@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000822817987 587187720 /nfs/dbraw/zinc/18/77/20/587187720.db2.gz FFALJWBKNUWKHY-MRVPVSSYSA-N 0 1 243.270 2.023 20 0 BEADMN Cc1cc2c(cc1C)N(C(=O)[C@@H](C)N(C)C)CC2 ZINC000822860708 587189698 /nfs/dbraw/zinc/18/96/98/587189698.db2.gz AGFGKXSNIQSING-GFCCVEGCSA-N 0 1 246.354 2.143 20 0 BEADMN CCC(CC)N(CC)C(=O)CN1CCCC1 ZINC000822979474 587196691 /nfs/dbraw/zinc/19/66/91/587196691.db2.gz XXTCVESMYBSSRX-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CCC[C@@H](CC)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000823187497 587207698 /nfs/dbraw/zinc/20/76/98/587207698.db2.gz HDYJREOXHDFJHK-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1cc(CNC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000823286981 587214030 /nfs/dbraw/zinc/21/40/30/587214030.db2.gz VLAJVKSEWWKFKR-CQSZACIVSA-N 0 1 247.342 2.335 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(C2CCC2)CC1 ZINC000823326053 587216436 /nfs/dbraw/zinc/21/64/36/587216436.db2.gz RKESUQQJFLNKJI-VAWYXSNFSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H](C(=O)N1CCCCCCCC1)N(C)C ZINC000823386521 587219042 /nfs/dbraw/zinc/21/90/42/587219042.db2.gz WMYKXRSHAXMWEA-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000823428342 587221082 /nfs/dbraw/zinc/22/10/82/587221082.db2.gz FNASZTNXDAYJOS-CMPLNLGQSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2CCC3(CCCC3)C2)n1 ZINC000823448512 587222938 /nfs/dbraw/zinc/22/29/38/587222938.db2.gz XFOQSVQUIXDNLV-UHFFFAOYSA-N 0 1 248.374 2.373 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H](C)CC2(C)C)n1 ZINC000823458704 587223644 /nfs/dbraw/zinc/22/36/44/587223644.db2.gz DABDGZWVLKFQSU-JTQLQIEISA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CNCCCC(C)C)n1 ZINC000823624928 587233343 /nfs/dbraw/zinc/23/33/43/587233343.db2.gz LHJJLXYMFSGTDF-UHFFFAOYSA-N 0 1 224.352 2.132 20 0 BEADMN COCC(C)(C)NCc1ccnc(Cl)c1F ZINC000823770879 587240037 /nfs/dbraw/zinc/24/00/37/587240037.db2.gz KBXAAAKOCJYHJD-UHFFFAOYSA-N 0 1 246.713 2.389 20 0 BEADMN CCC[C@@](C)(CO)NCc1cc(F)ncc1F ZINC000823867100 587244839 /nfs/dbraw/zinc/24/48/39/587244839.db2.gz ZFQLMKUOPJARHG-LBPRGKRZSA-N 0 1 244.285 2.001 20 0 BEADMN Fc1cc(CNCCC(F)(F)F)c(F)cn1 ZINC000823943240 587246663 /nfs/dbraw/zinc/24/66/63/587246663.db2.gz DEINDYNIIXPOCQ-UHFFFAOYSA-N 0 1 240.175 2.402 20 0 BEADMN CCON(C(=O)CN(C)CC(C)(C)C)C(C)C ZINC000824041349 587250913 /nfs/dbraw/zinc/25/09/13/587250913.db2.gz ITZCDVBBDRHMRL-UHFFFAOYSA-N 0 1 244.379 2.153 20 0 BEADMN C[C@@]1(NCc2ccnc(Cl)c2F)CCOC1 ZINC000824043756 587251295 /nfs/dbraw/zinc/25/12/95/587251295.db2.gz DIKYFPBCOONJOC-LLVKDONJSA-N 0 1 244.697 2.143 20 0 BEADMN CCC/C(C)=C\C(=O)N(C)Cc1cn[nH]c1C ZINC000824051065 587251767 /nfs/dbraw/zinc/25/17/67/587251767.db2.gz PMOPUGGFSKEPPE-YFHOEESVSA-N 0 1 235.331 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C/C(C)(C)C ZINC000824051173 587251921 /nfs/dbraw/zinc/25/19/21/587251921.db2.gz PZCDAMCBDKYUAG-VOTSOKGWSA-N 0 1 235.331 2.279 20 0 BEADMN CC/C(C)=C(\C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824057279 587252549 /nfs/dbraw/zinc/25/25/49/587252549.db2.gz QBXJBEJBZQLAFM-MDZDMXLPSA-N 0 1 235.331 2.423 20 0 BEADMN C/C=C(/CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824056898 587252885 /nfs/dbraw/zinc/25/28/85/587252885.db2.gz MQZDILOKFQYGTH-YHYXMXQVSA-N 0 1 221.304 2.033 20 0 BEADMN CC(C)[C@H](CC[N@@H+](C)CC1CC1)NC(=O)[O-] ZINC000824098293 587255238 /nfs/dbraw/zinc/25/52/38/587255238.db2.gz GZTGRRUWZINWJI-NSHDSACASA-N 0 1 228.336 2.011 20 0 BEADMN CC(C)[C@@H](CC[N@@H+](C)CC1CC1)NC(=O)[O-] ZINC000824098292 587255419 /nfs/dbraw/zinc/25/54/19/587255419.db2.gz GZTGRRUWZINWJI-LLVKDONJSA-N 0 1 228.336 2.011 20 0 BEADMN C[C@]1(NCc2cc(F)ncc2F)CCCOC1 ZINC000824108371 587256127 /nfs/dbraw/zinc/25/61/27/587256127.db2.gz OWKFAPFHAQXGKM-LBPRGKRZSA-N 0 1 242.269 2.019 20 0 BEADMN COC1(CNCc2cc(F)ncc2F)CCC1 ZINC000824131407 587257391 /nfs/dbraw/zinc/25/73/91/587257391.db2.gz RPRGLXMCDILJAK-UHFFFAOYSA-N 0 1 242.269 2.019 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nn(CC)nc1C ZINC000824195403 587259684 /nfs/dbraw/zinc/25/96/84/587259684.db2.gz DIVSULDKVZWPEK-ZWNOBZJWSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CCC23CCCC3)n1 ZINC000824292103 587264837 /nfs/dbraw/zinc/26/48/37/587264837.db2.gz LHKYMQXZLBZKMC-CYBMUJFWSA-N 0 1 248.374 2.419 20 0 BEADMN C[C@@H](O)c1ncc(CN2CC[C@H]2C2CC2)s1 ZINC000824651369 587281032 /nfs/dbraw/zinc/28/10/32/587281032.db2.gz ZERNEWAXFUDPMJ-KCJUWKMLSA-N 0 1 238.356 2.181 20 0 BEADMN CN(Cc1ccoc1)[C@@H](CO)c1ccccc1 ZINC000824696676 587283182 /nfs/dbraw/zinc/28/31/82/587283182.db2.gz PVQLOCLZXQIRCQ-AWEZNQCLSA-N 0 1 231.295 2.445 20 0 BEADMN O=C(C[C@H]1CC=CCC1)N1CC(N2CCCC2)C1 ZINC000824866095 587291050 /nfs/dbraw/zinc/29/10/50/587291050.db2.gz KUXNZBMKGLZBBI-ZDUSSCGKSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000824957539 587294962 /nfs/dbraw/zinc/29/49/62/587294962.db2.gz OGBHQERRNSMLTG-QMMMGPOBSA-N 0 1 239.221 2.119 20 0 BEADMN O=C(CN1CCCC1)Nc1ccc2occc2c1 ZINC000824989599 587297701 /nfs/dbraw/zinc/29/77/01/587297701.db2.gz CFNKSPPEZASAOB-UHFFFAOYSA-N 0 1 244.294 2.467 20 0 BEADMN CCc1nc(CNCC2(SC)CC2)co1 ZINC000825062493 587301924 /nfs/dbraw/zinc/30/19/24/587301924.db2.gz YJKGNDZAWDYKHZ-UHFFFAOYSA-N 0 1 226.345 2.222 20 0 BEADMN CCC[NH+](CCC)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825313479 587314229 /nfs/dbraw/zinc/31/42/29/587314229.db2.gz GUOAQANEVYNVIJ-UHFFFAOYSA-N 0 1 249.318 2.082 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825736459 587335871 /nfs/dbraw/zinc/33/58/71/587335871.db2.gz ZJNZZWDUMMEUNA-SVTZGKHISA-N 0 1 231.295 2.464 20 0 BEADMN C/C(=C\C[N@@H+]1Cc2ccccc2C[C@@H]1C)C(=O)[O-] ZINC000825745658 587336078 /nfs/dbraw/zinc/33/60/78/587336078.db2.gz BXZCCYGHQXZAGA-VNKGSWCUSA-N 0 1 245.322 2.464 20 0 BEADMN C[C@H]1C[C@H](NC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825843491 587341292 /nfs/dbraw/zinc/34/12/92/587341292.db2.gz AHFVFEQPSWLWSQ-WCQYABFASA-N 0 1 248.326 2.307 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCNC(=O)[O-] ZINC000825853177 587341689 /nfs/dbraw/zinc/34/16/89/587341689.db2.gz VBWBFXIAUCBORZ-DGCLKSJQSA-N 0 1 248.326 2.132 20 0 BEADMN CC[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000826676223 587358924 /nfs/dbraw/zinc/35/89/24/587358924.db2.gz XOCQIPHHPZKDQJ-NWDGAFQWSA-N 0 1 240.347 2.108 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000826727419 587360210 /nfs/dbraw/zinc/36/02/10/587360210.db2.gz DWZGECFVXCMHTK-MNOVXSKESA-N 0 1 228.336 2.155 20 0 BEADMN CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000826819093 587363272 /nfs/dbraw/zinc/36/32/72/587363272.db2.gz AIVQMHWRUNWMPX-LLVKDONJSA-N 0 1 228.336 2.299 20 0 BEADMN CC(C(=O)Nc1ccc2[nH]nnc2c1)=C1CCC1 ZINC000826904156 587365008 /nfs/dbraw/zinc/36/50/08/587365008.db2.gz WXSGKZFPTKZUDO-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827490865 587382940 /nfs/dbraw/zinc/38/29/40/587382940.db2.gz HMAFAACXMPMSBU-XEVNVYFWSA-N 0 1 238.375 2.141 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccnc(Cl)c1F ZINC000827716198 587398962 /nfs/dbraw/zinc/39/89/62/587398962.db2.gz WGVFPUNWJWWUCT-KCJUWKMLSA-N 0 1 244.697 2.141 20 0 BEADMN CC(C)(F)CNC(=O)c1cccc(F)c1O ZINC000827806578 587403699 /nfs/dbraw/zinc/40/36/99/587403699.db2.gz RFBNDJLKCITOAZ-UHFFFAOYSA-N 0 1 229.226 2.009 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CCSC[C@@H]1C ZINC000827930190 587410615 /nfs/dbraw/zinc/41/06/15/587410615.db2.gz HXKVXTOEOFTDHX-NSHDSACASA-N 0 1 229.389 2.429 20 0 BEADMN CC(C)CC(=O)CCN1CCSC[C@@H]1C ZINC000827930190 587410617 /nfs/dbraw/zinc/41/06/17/587410617.db2.gz HXKVXTOEOFTDHX-NSHDSACASA-N 0 1 229.389 2.429 20 0 BEADMN CC(C)CC(=O)CCN1CCOC(C)(C)[C@H]1C ZINC000828011442 587416032 /nfs/dbraw/zinc/41/60/32/587416032.db2.gz HGHWGUOJKXCQIR-GFCCVEGCSA-N 0 1 241.375 2.491 20 0 BEADMN C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828174624 587423246 /nfs/dbraw/zinc/42/32/46/587423246.db2.gz FFKRGCFNNQHVSG-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN CN(C[C@@H]1CCC[N@H+]1[C@@H]1C=CCCC1)C(=O)[O-] ZINC000828217805 587424303 /nfs/dbraw/zinc/42/43/03/587424303.db2.gz AHBFMCQHICOEFM-NEPJUHHUSA-N 0 1 238.331 2.169 20 0 BEADMN CN(C[C@H]1CCC[N@H+]1[C@@H]1C=CCCC1)C(=O)[O-] ZINC000828217808 587424355 /nfs/dbraw/zinc/42/43/55/587424355.db2.gz AHBFMCQHICOEFM-VXGBXAGGSA-N 0 1 238.331 2.169 20 0 BEADMN CC(C)CC(=O)CCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000828389083 587439180 /nfs/dbraw/zinc/43/91/80/587439180.db2.gz DPYXDBLGZUFQPU-XQQFMLRXSA-N 0 1 241.375 2.489 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000828603064 587452925 /nfs/dbraw/zinc/45/29/25/587452925.db2.gz AUHLMFLDCXXGOI-JQWIXIFHSA-N 0 1 249.310 2.305 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000828608534 587453388 /nfs/dbraw/zinc/45/33/88/587453388.db2.gz AYOXIPCTVZRPGZ-LBPRGKRZSA-N 0 1 231.311 2.311 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000828608533 587453634 /nfs/dbraw/zinc/45/36/34/587453634.db2.gz AYOXIPCTVZRPGZ-GFCCVEGCSA-N 0 1 231.311 2.311 20 0 BEADMN CC[C@](C)(CC(=O)[O-])[NH2+]CC(F)(F)C(F)F ZINC000828658377 587456144 /nfs/dbraw/zinc/45/61/44/587456144.db2.gz USNOZJTZQODSSI-MRVPVSSYSA-N 0 1 245.216 2.120 20 0 BEADMN C[C@H]1CCC[C@H](C2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000829139620 587484631 /nfs/dbraw/zinc/48/46/31/587484631.db2.gz RBPNECHRVDIPFT-QWRGUYRKSA-N 0 1 247.342 2.308 20 0 BEADMN CCCc1ccccc1C(=O)NC[C@@H]1CCN1C ZINC000830136329 587538070 /nfs/dbraw/zinc/53/80/70/587538070.db2.gz WXCPJXOCFZXJSS-ZDUSSCGKSA-N 0 1 246.354 2.073 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cc1 ZINC000830308481 587545170 /nfs/dbraw/zinc/54/51/70/587545170.db2.gz KDPSBANSUUGELK-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCNC(=O)[O-])c(C)c1 ZINC000830308866 587545504 /nfs/dbraw/zinc/54/55/04/587545504.db2.gz PYFXYVOXMOMRAG-UHFFFAOYSA-N 0 1 236.315 2.003 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000830307692 587545560 /nfs/dbraw/zinc/54/55/60/587545560.db2.gz DUEBHVRNYZHGOH-CYBMUJFWSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1ccc(NC[C@@H]2CCCN(C(=O)[O-])C2)[nH+]c1 ZINC000830396327 587549260 /nfs/dbraw/zinc/54/92/60/587549260.db2.gz YDEUESOIQAWQAN-NSHDSACASA-N 0 1 249.314 2.192 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830497677 587554422 /nfs/dbraw/zinc/55/44/22/587554422.db2.gz JPIGYWSSRCFDRG-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830573197 587559059 /nfs/dbraw/zinc/55/90/59/587559059.db2.gz DOTSCSYMWQSIER-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000830573159 587559097 /nfs/dbraw/zinc/55/90/97/587559097.db2.gz CFWXQMCDKKUQNS-ZDUSSCGKSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@H](NC(=O)[O-])C[C@H]2C)c1 ZINC000830606878 587559816 /nfs/dbraw/zinc/55/98/16/587559816.db2.gz FUQFIWBHIQICKQ-MNOVXSKESA-N 0 1 249.314 2.015 20 0 BEADMN CC(C)c1ccccc1C(=O)NCCN1CCC1 ZINC000830938517 587578409 /nfs/dbraw/zinc/57/84/09/587578409.db2.gz ROZRMTRCUCHTDU-UHFFFAOYSA-N 0 1 246.354 2.246 20 0 BEADMN Cc1nonc1CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831005867 587582383 /nfs/dbraw/zinc/58/23/83/587582383.db2.gz RABBIOZCNNDQHH-CZXHOFHRSA-N 0 1 245.326 2.022 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)OC2CCCC2)CCN1C ZINC000831020845 587582766 /nfs/dbraw/zinc/58/27/66/587582766.db2.gz WNSLCOBVQDWSCM-GHMZBOCLSA-N 0 1 240.347 2.090 20 0 BEADMN C(c1nnnn1C1CC1)N1CCCCCCCC1 ZINC000831920368 587636540 /nfs/dbraw/zinc/63/65/40/587636540.db2.gz HCHXZGWTDYKXJR-UHFFFAOYSA-N 0 1 249.362 2.164 20 0 BEADMN C[N@@H+](C/C=C\Cl)[C@@H](CO)CC(C)(C)C ZINC000832085080 587644730 /nfs/dbraw/zinc/64/47/30/587644730.db2.gz PPJPMUTXWJDZQJ-WWQCOOJYSA-N 0 1 219.756 2.468 20 0 BEADMN C[N@@H+](C/C=C/Cl)[C@H](CO)CC(C)(C)C ZINC000832085079 587644822 /nfs/dbraw/zinc/64/48/22/587644822.db2.gz PPJPMUTXWJDZQJ-PORFMDCZSA-N 0 1 219.756 2.468 20 0 BEADMN CCN1CCN(C(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000832364168 587656288 /nfs/dbraw/zinc/65/62/88/587656288.db2.gz DGYRMEPMXRGCIA-NSHDSACASA-N 0 1 236.359 2.039 20 0 BEADMN Cc1ccc(CC[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832929790 587695185 /nfs/dbraw/zinc/69/51/85/587695185.db2.gz DYIIGWJNDFYGJF-GXTWGEPZSA-N 0 1 247.338 2.190 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CCC2CCCCC2)C1 ZINC000833175438 587700968 /nfs/dbraw/zinc/70/09/68/587700968.db2.gz QTPHUKLDGDYBQS-ZDUSSCGKSA-N 0 1 243.322 2.455 20 0 BEADMN C/C(=C\C[N@H+]1CCc2c(F)cccc2C1)C(=O)[O-] ZINC000833385164 587712710 /nfs/dbraw/zinc/71/27/10/587712710.db2.gz SYWXNJROCYFBHA-BJMVGYQFSA-N 0 1 249.285 2.215 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000833553803 587719877 /nfs/dbraw/zinc/71/98/77/587719877.db2.gz IUQLJDYVURWBTA-LLVKDONJSA-N 0 1 243.690 2.230 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000833582804 587721926 /nfs/dbraw/zinc/72/19/26/587721926.db2.gz FKHQWGDGDOQKHG-ONGXEEELSA-N 0 1 239.315 2.008 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000833604947 587723797 /nfs/dbraw/zinc/72/37/97/587723797.db2.gz UVBLOQNTJOPPAR-GCZXYKMCSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)[C@H]1C ZINC000833612613 587724202 /nfs/dbraw/zinc/72/42/02/587724202.db2.gz AUUPPOJZBWNRDS-UWVGGRQHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833615141 587724243 /nfs/dbraw/zinc/72/42/43/587724243.db2.gz IVLRCVPNKDFABP-SECBINFHSA-N 0 1 222.288 2.087 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ccoc2C(=O)[O-])C[C@H]1F ZINC000833615946 587724302 /nfs/dbraw/zinc/72/43/02/587724302.db2.gz NQCFEYPFLKGYSP-PSASIEDQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1F ZINC000833615946 587724303 /nfs/dbraw/zinc/72/43/03/587724303.db2.gz NQCFEYPFLKGYSP-PSASIEDQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@@H]1F ZINC000833615679 587724584 /nfs/dbraw/zinc/72/45/84/587724584.db2.gz ICAGHFBPYDUXBN-WPRPVWTQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@@H]1F ZINC000833615679 587724587 /nfs/dbraw/zinc/72/45/87/587724587.db2.gz ICAGHFBPYDUXBN-WPRPVWTQSA-N 0 1 241.262 2.158 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c[nH]1 ZINC000833779176 587731373 /nfs/dbraw/zinc/73/13/73/587731373.db2.gz KARFNWLNRIFMBU-WCQYABFASA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC(C)(C)C ZINC000833835485 587735240 /nfs/dbraw/zinc/73/52/40/587735240.db2.gz ZWBGMAKUWPUIKZ-GHMZBOCLSA-N 0 1 242.363 2.401 20 0 BEADMN C[N@@H+](Cc1ccc(NC(=O)[O-])nc1)C1CCC1 ZINC000833874558 587737836 /nfs/dbraw/zinc/73/78/36/587737836.db2.gz RFTOKGXXAMTHFY-UHFFFAOYSA-N 0 1 235.287 2.156 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000834222440 587749315 /nfs/dbraw/zinc/74/93/15/587749315.db2.gz YIJKTRXGTPXTKP-VXGBXAGGSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])Nc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)cn1 ZINC000834258639 587750250 /nfs/dbraw/zinc/75/02/50/587750250.db2.gz ISJWPWYODSPDKO-MNOVXSKESA-N 0 1 247.298 2.156 20 0 BEADMN CN(CCC1CCCCC1)[C@H]1CCOC1=O ZINC000101565844 587761229 /nfs/dbraw/zinc/76/12/29/587761229.db2.gz OIOKOBMPPKFALV-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCn1ccnc1[C@H](C)NCCOC1CCC1 ZINC000834727124 587764852 /nfs/dbraw/zinc/76/48/52/587764852.db2.gz ZMSIBFYGVLHVBU-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1nc[nH]c1C(F)(F)F ZINC000834768198 587766396 /nfs/dbraw/zinc/76/63/96/587766396.db2.gz HJZZKMLVNNQMDV-WDSKDSINSA-N 0 1 247.220 2.051 20 0 BEADMN CC[C@H](NC1CCC2(CC1)OCCO2)C(F)F ZINC000834826659 587768059 /nfs/dbraw/zinc/76/80/59/587768059.db2.gz GVDPYIOCCNQBON-JTQLQIEISA-N 0 1 249.301 2.305 20 0 BEADMN CC1(C)CC=C(C(=O)OCCc2c[nH]nn2)CC1 ZINC000835183887 587787538 /nfs/dbraw/zinc/78/75/38/587787538.db2.gz YETZALHWYVDFBD-UHFFFAOYSA-N 0 1 249.314 2.027 20 0 BEADMN CC1(C)CC=C(C(=O)OCCc2cnn[nH]2)CC1 ZINC000835183887 587787539 /nfs/dbraw/zinc/78/75/39/587787539.db2.gz YETZALHWYVDFBD-UHFFFAOYSA-N 0 1 249.314 2.027 20 0 BEADMN CC[C@@H](C(=O)NOC(C)C)c1c(C)noc1C ZINC000836797966 587837159 /nfs/dbraw/zinc/83/71/59/587837159.db2.gz CUEMNURDGCOVGX-SNVBAGLBSA-N 0 1 240.303 2.241 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCCCCCCC1 ZINC000836922438 587842890 /nfs/dbraw/zinc/84/28/90/587842890.db2.gz DVSRDZJFBBNDRG-UHFFFAOYSA-N 0 1 235.331 2.135 20 0 BEADMN CC(C)(F)C(=O)Nc1ccc(F)c(F)c1O ZINC000837265541 587862567 /nfs/dbraw/zinc/86/25/67/587862567.db2.gz GMFDTKIZOTWOAL-UHFFFAOYSA-N 0 1 233.189 2.357 20 0 BEADMN CCc1occc1C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840543103 587911224 /nfs/dbraw/zinc/91/12/24/587911224.db2.gz XIJSPUOZYNJTQH-SSDOTTSWSA-N 0 1 249.270 2.187 20 0 BEADMN CC/C(C)=C\C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840581951 587912698 /nfs/dbraw/zinc/91/26/98/587912698.db2.gz XQICGYGRDXNCIM-NFXKFNAJSA-N 0 1 223.276 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000840581501 587912842 /nfs/dbraw/zinc/91/28/42/587912842.db2.gz OCLDZYJZKAQQKQ-TVQRCGJNSA-N 0 1 249.314 2.464 20 0 BEADMN Fc1ccc(CNc2nccn2C2CC2)cn1 ZINC000840886709 587927863 /nfs/dbraw/zinc/92/78/63/587927863.db2.gz NLBCRLGRUFIRSL-UHFFFAOYSA-N 0 1 232.262 2.364 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)ncc2F)CS1 ZINC000840959306 587932629 /nfs/dbraw/zinc/93/26/29/587932629.db2.gz RNWQSLXLIJHGSV-VXNVDRBHSA-N 0 1 244.310 2.343 20 0 BEADMN CC(C)(CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000841507545 587957041 /nfs/dbraw/zinc/95/70/41/587957041.db2.gz GHAMOUQRMLYNFB-UHFFFAOYSA-N 0 1 233.271 2.086 20 0 BEADMN C[C@@H]1CCCCCN1CN1CC(F)(F)CC1=O ZINC000841680708 587971753 /nfs/dbraw/zinc/97/17/53/587971753.db2.gz YAAAAKAJFGGKTE-SNVBAGLBSA-N 0 1 246.301 2.076 20 0 BEADMN CC[C@H](COC(=O)[C@@H](CC)N(CC)CC)OC ZINC000842079519 587996726 /nfs/dbraw/zinc/99/67/26/587996726.db2.gz ARDHSUPKJVIZNC-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000842165892 588005378 /nfs/dbraw/zinc/00/53/78/588005378.db2.gz GXJIUDWCYBIJNA-SDDRHHMPSA-N 0 1 227.348 2.162 20 0 BEADMN CC(C)[C@H](F)c1nc(C2(N)CCCC2)no1 ZINC000842591944 588044632 /nfs/dbraw/zinc/04/46/32/588044632.db2.gz FPEBXSWLOUNTEF-QMMMGPOBSA-N 0 1 227.283 2.464 20 0 BEADMN CCC[C@](C)(N)c1nc(-c2cccc(N)c2)no1 ZINC000842623073 588046076 /nfs/dbraw/zinc/04/60/76/588046076.db2.gz SNNPRIODRLEYDC-ZDUSSCGKSA-N 0 1 246.314 2.293 20 0 BEADMN CN(CCC(C)(C)C)CN1CC(F)(F)CC1=O ZINC000842630926 588046784 /nfs/dbraw/zinc/04/67/84/588046784.db2.gz IHGXANTZPIFSMI-UHFFFAOYSA-N 0 1 248.317 2.180 20 0 BEADMN C[C@@H](Cc1nc([C@H]2CCCN2)no1)C1CC1 ZINC000842642558 588048555 /nfs/dbraw/zinc/04/85/55/588048555.db2.gz UGFTWFIDEWBXJK-WCBMZHEXSA-N 0 1 221.304 2.083 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1nc(C)cs1 ZINC000842755510 588060075 /nfs/dbraw/zinc/06/00/75/588060075.db2.gz FWVZWOAYKCHOES-GXSJLCMTSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cccnc2Cl)CO1 ZINC000842774369 588062266 /nfs/dbraw/zinc/06/22/66/588062266.db2.gz GVMKKZFKNWDVDL-PSASIEDQSA-N 0 1 226.707 2.002 20 0 BEADMN Cc1ccc(O)c(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000843148292 588086758 /nfs/dbraw/zinc/08/67/58/588086758.db2.gz PCSWXJBOMJJGEI-LLVKDONJSA-N 0 1 247.298 2.406 20 0 BEADMN CC(C)[C@@H](N)c1noc(/C=C\c2ccco2)n1 ZINC000843146743 588086994 /nfs/dbraw/zinc/08/69/94/588086994.db2.gz OUBJMAYQWDMNDV-ISALQUGTSA-N 0 1 233.271 2.489 20 0 BEADMN CC(C)CO[C@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843147603 588087051 /nfs/dbraw/zinc/08/70/51/588087051.db2.gz BNKCRDZRTSRFMM-ZJUUUORDSA-N 0 1 241.335 2.459 20 0 BEADMN Cc1ccc(Cc2nc([C@@H](N)C(C)C)no2)cn1 ZINC000843150905 588087236 /nfs/dbraw/zinc/08/72/36/588087236.db2.gz WKTIIVSXZJAQJI-LBPRGKRZSA-N 0 1 246.314 2.020 20 0 BEADMN COCCC[C@@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843150855 588087250 /nfs/dbraw/zinc/08/72/50/588087250.db2.gz LICUKMBPMIDCCY-ZJUUUORDSA-N 0 1 241.335 2.256 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H](C)OCC2CC2)n1 ZINC000843149722 588087511 /nfs/dbraw/zinc/08/75/11/588087511.db2.gz OWMCIDPESJPWDF-WPRPVWTQSA-N 0 1 239.319 2.213 20 0 BEADMN CC(C)[C@H](N)c1noc(C[C@@H](C)C2CC2)n1 ZINC000843149042 588087668 /nfs/dbraw/zinc/08/76/68/588087668.db2.gz IIUDIWBQPXUDNS-KCJUWKMLSA-N 0 1 223.320 2.314 20 0 BEADMN CC(C)OCCCc1nc([C@@H](N)C(C)C)no1 ZINC000843151446 588087833 /nfs/dbraw/zinc/08/78/33/588087833.db2.gz ZQBKRAOMNASOTL-NSHDSACASA-N 0 1 241.335 2.083 20 0 BEADMN CNCc1nc(-c2cccc(OC(C)C)c2)no1 ZINC000843181638 588090369 /nfs/dbraw/zinc/09/03/69/588090369.db2.gz FAZAMNXCLIFXAB-UHFFFAOYSA-N 0 1 247.298 2.243 20 0 BEADMN CCS[C@@H](C)c1noc(CNCC2CC2)n1 ZINC000843192467 588091927 /nfs/dbraw/zinc/09/19/27/588091927.db2.gz VUZQTCINFDNCRE-QMMMGPOBSA-N 0 1 241.360 2.383 20 0 BEADMN O=C(C=C1CCCCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000843469846 588113063 /nfs/dbraw/zinc/11/30/63/588113063.db2.gz XTDABWOKFSYUQU-OKILXGFUSA-N 0 1 248.370 2.230 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C1(F)CC1 ZINC000843775343 588139352 /nfs/dbraw/zinc/13/93/52/588139352.db2.gz ALBLOHJVEAIAPA-UHFFFAOYSA-N 0 1 219.219 2.004 20 0 BEADMN CCCONC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000844087834 588165237 /nfs/dbraw/zinc/16/52/37/588165237.db2.gz FKEDKSUZVLCYIE-LLVKDONJSA-N 0 1 249.310 2.183 20 0 BEADMN CCN(C/C=C/Cl)[C@H]1CCCOC1 ZINC000844403553 588190285 /nfs/dbraw/zinc/19/02/85/588190285.db2.gz GLNQPUGLZJRCSP-RWCYGVJQSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)n1 ZINC000844451219 588195288 /nfs/dbraw/zinc/19/52/88/588195288.db2.gz NKSARLBTAVDLLA-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN CC/C=C(/C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844644326 588212246 /nfs/dbraw/zinc/21/22/46/588212246.db2.gz NFNJFWKPLXIYII-DDDRKDLWSA-N 0 1 238.375 2.282 20 0 BEADMN O=C1CC2(CCCC2)N1CN1C2CCC1CC2 ZINC000844682687 588213126 /nfs/dbraw/zinc/21/31/26/588213126.db2.gz KJRDPSDXPYNJQM-UHFFFAOYSA-N 0 1 234.343 2.116 20 0 BEADMN CCN(CN1C(=O)CC12CCCC2)C1CCC1 ZINC000844693895 588213980 /nfs/dbraw/zinc/21/39/80/588213980.db2.gz GVTHNZIKQQSWIP-UHFFFAOYSA-N 0 1 236.359 2.363 20 0 BEADMN C[C@@H](N[C@@H]1CNc2ccccc2C1)c1ncc[nH]1 ZINC000844920051 588219412 /nfs/dbraw/zinc/21/94/12/588219412.db2.gz JBPVJZDRKDBHJJ-PWSUYJOCSA-N 0 1 242.326 2.097 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC000845219546 588223894 /nfs/dbraw/zinc/22/38/94/588223894.db2.gz JUTDAQXNJHUHKV-PPKCKEKNSA-N 0 1 249.314 2.154 20 0 BEADMN CC(C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845737453 588243089 /nfs/dbraw/zinc/24/30/89/588243089.db2.gz HOVAZABYOYVEAJ-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN c1c2cnccc2oc1CN1CC2(C1)CCOC2 ZINC000845979792 588252626 /nfs/dbraw/zinc/25/26/26/588252626.db2.gz FDNGVZXZNLZUFG-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN C[C@H](N[C@@H](CO)CCF)c1cccnc1Cl ZINC000846209796 588259981 /nfs/dbraw/zinc/25/99/81/588259981.db2.gz VFYDQSYIDJTMCM-DTWKUNHWSA-N 0 1 246.713 2.106 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000846224936 588261642 /nfs/dbraw/zinc/26/16/42/588261642.db2.gz DOVZZVUQHLBMBE-UHFFFAOYSA-N 0 1 237.274 2.205 20 0 BEADMN C/C(=C/C[N@@H+]1CC(C)(C)C[C@@H]1C)C(=O)[O-] ZINC000846246577 588262489 /nfs/dbraw/zinc/26/24/89/588262489.db2.gz KITVIBJZSUNWHM-BSKOKIOFSA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(CF)cc1 ZINC000846265263 588263553 /nfs/dbraw/zinc/26/35/53/588263553.db2.gz DYCYADRXPDQESE-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\Cl ZINC000846274237 588263680 /nfs/dbraw/zinc/26/36/80/588263680.db2.gz JZVVKYLMVVJITG-XRVBUDJMSA-N 0 1 219.712 2.170 20 0 BEADMN CCCCCC[N@H+]1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000846282711 588263998 /nfs/dbraw/zinc/26/39/98/588263998.db2.gz AQOOUHCSPBBHFP-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NCc1cnsn1 ZINC000846841168 588292527 /nfs/dbraw/zinc/29/25/27/588292527.db2.gz AIHXPRNANSBCRP-RKDXNWHRSA-N 0 1 225.361 2.452 20 0 BEADMN CC(=O)C1CCN(Cc2scnc2C)CC1 ZINC000846939384 588297835 /nfs/dbraw/zinc/29/78/35/588297835.db2.gz DYJNDMYCCCOMCH-UHFFFAOYSA-N 0 1 238.356 2.253 20 0 BEADMN CC(=O)C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000846945490 588298213 /nfs/dbraw/zinc/29/82/13/588298213.db2.gz BZVWLJPVCZLJFJ-NSHDSACASA-N 0 1 232.327 2.444 20 0 BEADMN Cc1ccnc([C@H]2CCN(CCF)C2)c1 ZINC000846966987 588298824 /nfs/dbraw/zinc/29/88/24/588298824.db2.gz CSMSQDFRMZUKOY-NSHDSACASA-N 0 1 208.280 2.149 20 0 BEADMN CCCN(Cc1nn(CC)nc1C)C(C)C ZINC000847028966 588304256 /nfs/dbraw/zinc/30/42/56/588304256.db2.gz SXQCHPFQPLXWKV-UHFFFAOYSA-N 0 1 224.352 2.227 20 0 BEADMN Fc1cc2c(cc1F)CN(Cc1cnc[nH]1)C2 ZINC000847043988 588304854 /nfs/dbraw/zinc/30/48/54/588304854.db2.gz CUBJEMJCRGGETB-UHFFFAOYSA-N 0 1 235.237 2.204 20 0 BEADMN CON(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000847312425 588310631 /nfs/dbraw/zinc/31/06/31/588310631.db2.gz LPTAHGLIJGWBSJ-UHFFFAOYSA-N 0 1 249.188 2.044 20 0 BEADMN C[Si](C)(C)CCCC(=O)NCc1cnc[nH]1 ZINC000847515198 588315393 /nfs/dbraw/zinc/31/53/93/588315393.db2.gz ILTGYHGOLCVTOR-UHFFFAOYSA-N 0 1 239.395 2.144 20 0 BEADMN O=C(/C=C/C1CC1)OCc1cc(C2CC2)[nH]n1 ZINC000848013338 588347397 /nfs/dbraw/zinc/34/73/97/588347397.db2.gz LMGNSIXIXCNOES-ZZXKWVIFSA-N 0 1 232.283 2.297 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)[C@H]1CC12CC2 ZINC000848009819 588347408 /nfs/dbraw/zinc/34/74/08/588347408.db2.gz JKZMNVTYEATIMD-SNVBAGLBSA-N 0 1 232.283 2.130 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)C(C)(C)C1 ZINC000848033922 588348984 /nfs/dbraw/zinc/34/89/84/588348984.db2.gz RYWFRBIAYNCHSU-BENRWUELSA-N 0 1 238.375 2.285 20 0 BEADMN CC(=O)c1cccc(CNC(=O)C(F)(F)F)c1 ZINC000848113538 588356529 /nfs/dbraw/zinc/35/65/29/588356529.db2.gz JSFKMZZJYDRHMI-UHFFFAOYSA-N 0 1 245.200 2.068 20 0 BEADMN CC(C)c1ccccc1CNCC(=O)NC1CC1 ZINC000848526049 588392346 /nfs/dbraw/zinc/39/23/46/588392346.db2.gz WJQSOVDWHLXCSG-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN c1cc(OCCC2OCCO2)c2c(n1)CCCC2 ZINC000848526342 588392933 /nfs/dbraw/zinc/39/29/33/588392933.db2.gz WNZPKDIRMZYGBU-UHFFFAOYSA-N 0 1 249.310 2.102 20 0 BEADMN c1c(CNC[C@H]2CCC=CO2)nn2c1CCCC2 ZINC000848549746 588395615 /nfs/dbraw/zinc/39/56/15/588395615.db2.gz SQVYJTZILJOLSH-CQSZACIVSA-N 0 1 247.342 2.002 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(COC)c2)no1 ZINC000848622676 588402422 /nfs/dbraw/zinc/40/24/22/588402422.db2.gz XCWHUHHCYWBYRE-VIFPVBQESA-N 0 1 247.298 2.163 20 0 BEADMN CCN(CC(=O)NC)Cc1ccccc1C(C)C ZINC000848880808 588416453 /nfs/dbraw/zinc/41/64/53/588416453.db2.gz IJJNZDLTZRLANU-UHFFFAOYSA-N 0 1 248.370 2.378 20 0 BEADMN CN(CCC1CC1)Cc1cnc(Cl)n1C ZINC000848891173 588417534 /nfs/dbraw/zinc/41/75/34/588417534.db2.gz WQSJDMZQYWZIEO-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cnc(Cl)n1C ZINC000848891483 588417627 /nfs/dbraw/zinc/41/76/27/588417627.db2.gz YZYFWFOZEQWFJI-IUCAKERBSA-N 0 1 227.739 2.446 20 0 BEADMN Cn1c(CN2CC[C@H](C3CC3)C2)cnc1Cl ZINC000848889986 588417893 /nfs/dbraw/zinc/41/78/93/588417893.db2.gz PVMDQUOCSQCYKL-JTQLQIEISA-N 0 1 239.750 2.305 20 0 BEADMN CCCCCC[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000849344876 588474017 /nfs/dbraw/zinc/47/40/17/588474017.db2.gz RSGDJYIZHOCIRD-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N(C)CC1CN(C)C1 ZINC000849447529 588479399 /nfs/dbraw/zinc/47/93/99/588479399.db2.gz PRJWVVPJVXKPSE-LLVKDONJSA-N 0 1 242.363 2.051 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CC(C)C)n[nH]1 ZINC000849629665 588482071 /nfs/dbraw/zinc/48/20/71/588482071.db2.gz YKWPBVJURQYJAC-MRVPVSSYSA-N 0 1 225.292 2.017 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)/C=C(\C)C2CC2)n[nH]1 ZINC000849704249 588487765 /nfs/dbraw/zinc/48/77/65/588487765.db2.gz FTXKPYFVTUTPKB-FCZSHJHJSA-N 0 1 249.314 2.328 20 0 BEADMN Cc1cc(CC(=O)OCC=C(Cl)Cl)n[nH]1 ZINC000849741658 588492231 /nfs/dbraw/zinc/49/22/31/588492231.db2.gz SZKBYGFSDACSMS-UHFFFAOYSA-N 0 1 249.097 2.123 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)/C=C/C(C)C)n[nH]1 ZINC000849765157 588495600 /nfs/dbraw/zinc/49/56/00/588495600.db2.gz VWQRMKHFXOXQNW-XCODYQFDSA-N 0 1 237.303 2.184 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000849780898 588497895 /nfs/dbraw/zinc/49/78/95/588497895.db2.gz BHYWBYDUSVDRTA-QNSHHTMESA-N 0 1 249.314 2.017 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC000850070256 588517647 /nfs/dbraw/zinc/51/76/47/588517647.db2.gz SWHZWOLJQFXBRJ-CBAPKCEASA-N 0 1 237.303 2.154 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000850264634 588533492 /nfs/dbraw/zinc/53/34/92/588533492.db2.gz IUCHVUVZEZXEPA-IMSYWVGJSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000850264742 588533634 /nfs/dbraw/zinc/53/36/34/588533634.db2.gz MSRZXEBVWUTGAP-MYJAWHEDSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000850264742 588533636 /nfs/dbraw/zinc/53/36/36/588533636.db2.gz MSRZXEBVWUTGAP-MYJAWHEDSA-N 0 1 249.314 2.017 20 0 BEADMN FC(F)(F)Cn1ccnc1CN[C@@H]1C=CCC1 ZINC000850359117 588539670 /nfs/dbraw/zinc/53/96/70/588539670.db2.gz XCRUBHCADXCRTO-SECBINFHSA-N 0 1 245.248 2.254 20 0 BEADMN C1=C[C@H](NCc2cc3n(n2)CCCC3)CC1 ZINC000850359619 588539708 /nfs/dbraw/zinc/53/97/08/588539708.db2.gz MIXNIZANRCVRKO-NSHDSACASA-N 0 1 217.316 2.028 20 0 BEADMN Cn1cccc1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850371764 588541258 /nfs/dbraw/zinc/54/12/58/588541258.db2.gz LQFNGWJWSIDFOG-HUUCEWRRSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](O)[C@H](NCc1ccoc1)c1ccccc1 ZINC000850419654 588544831 /nfs/dbraw/zinc/54/48/31/588544831.db2.gz GJKNNSMGIJKEFY-FZMZJTMJSA-N 0 1 231.295 2.491 20 0 BEADMN Fc1cccc(CN[C@H]2COC3(CCC3)C2)n1 ZINC000850446670 588547512 /nfs/dbraw/zinc/54/75/12/588547512.db2.gz BGWCVNQWCLCBGB-LLVKDONJSA-N 0 1 236.290 2.022 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000850506189 588552907 /nfs/dbraw/zinc/55/29/07/588552907.db2.gz CHWIDRABYBCXFL-GHMZBOCLSA-N 0 1 205.305 2.272 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C=CCC2)nn1C ZINC000850506521 588553323 /nfs/dbraw/zinc/55/33/23/588553323.db2.gz FIGIAUVUKZGXDF-WDEREUQCSA-N 0 1 205.305 2.098 20 0 BEADMN C[C@@H](N[C@@H]1C=CCC1)c1cc2n(n1)CCC2 ZINC000850507564 588553429 /nfs/dbraw/zinc/55/34/29/588553429.db2.gz JXKNPKWHTBOGSW-GHMZBOCLSA-N 0 1 217.316 2.199 20 0 BEADMN Cn1ccnc1[C@@H](N[C@@H]1C=CCC1)C1CC1 ZINC000850509344 588554413 /nfs/dbraw/zinc/55/44/13/588554413.db2.gz NEMZMLIAXLNGAB-NEPJUHHUSA-N 0 1 217.316 2.179 20 0 BEADMN COC(=O)c1coc([C@H](C)N[C@@H]2C=CCC2)c1 ZINC000850509995 588554904 /nfs/dbraw/zinc/55/49/04/588554904.db2.gz QPIOFOVQZXACME-GXSJLCMTSA-N 0 1 235.283 2.435 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2COC3(CCC3)C2)nn1C ZINC000850524388 588556859 /nfs/dbraw/zinc/55/68/59/588556859.db2.gz XKPMIJMCLLCXMS-VXGBXAGGSA-N 0 1 249.358 2.091 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@@H]1COC3(CCC3)C1)CCC2 ZINC000850523317 588556875 /nfs/dbraw/zinc/55/68/75/588556875.db2.gz FWGQFYAFPXMRFR-RYUDHWBXSA-N 0 1 247.342 2.019 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ccccn2)no1 ZINC000109497315 588563870 /nfs/dbraw/zinc/56/38/70/588563870.db2.gz HNIYJMRJKLERTA-SECBINFHSA-N 0 1 232.287 2.192 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@]1(C)CC1(F)F)N(C)C ZINC000851258404 588598337 /nfs/dbraw/zinc/59/83/37/588598337.db2.gz LEQRNIISSQBJEN-ONGXEEELSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1C/C=C\Cl ZINC000851709446 588615038 /nfs/dbraw/zinc/61/50/38/588615038.db2.gz YFKGUJOYAIEBSU-MRGKWKIYSA-N 0 1 231.723 2.313 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000851708833 588615212 /nfs/dbraw/zinc/61/52/12/588615212.db2.gz MSWHRRGUNILPJR-MUOFWOGVSA-N 0 1 247.338 2.161 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](C/C=C/Cl)C[C@H]1CCCC2 ZINC000851709236 588615230 /nfs/dbraw/zinc/61/52/30/588615230.db2.gz UCIDQNCSZBRUAH-HLPWOGIRSA-N 0 1 243.734 2.316 20 0 BEADMN CCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000851707607 588615421 /nfs/dbraw/zinc/61/54/21/588615421.db2.gz GWZPPSIBNUAIJA-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN CN(CCOC(F)F)Cc1ccccc1F ZINC000851713008 588615688 /nfs/dbraw/zinc/61/56/88/588615688.db2.gz WZWHPWLPNCDRDC-UHFFFAOYSA-N 0 1 233.233 2.497 20 0 BEADMN C[C@@H]1CCN(Cc2cnon2)[C@@H]2CCCC[C@@H]12 ZINC000851726825 588618188 /nfs/dbraw/zinc/61/81/88/588618188.db2.gz XKOKMPVNXYUCML-KGYLQXTDSA-N 0 1 235.331 2.470 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)Cc2cnon2)C1 ZINC000851727420 588618645 /nfs/dbraw/zinc/61/86/45/588618645.db2.gz MQQCKLJVUWZUBC-KOLCDFICSA-N 0 1 209.293 2.080 20 0 BEADMN CCOCCN(CC)Cc1cccc(F)n1 ZINC000851763169 588624711 /nfs/dbraw/zinc/62/47/11/588624711.db2.gz LACVVUBTBLYAKE-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN CC(C)OCCCN(C)Cc1cccc(F)n1 ZINC000851782419 588628078 /nfs/dbraw/zinc/62/80/78/588628078.db2.gz SIWIYIWEVUPLPN-UHFFFAOYSA-N 0 1 240.322 2.468 20 0 BEADMN COc1cc(CN2CCC3(CCCC3)C2)on1 ZINC000851789875 588628627 /nfs/dbraw/zinc/62/86/27/588628627.db2.gz FHEYPWMXBMDYAA-UHFFFAOYSA-N 0 1 236.315 2.449 20 0 BEADMN c1nonc1CN1CCC2(C1)CCCCC2 ZINC000851786219 588628885 /nfs/dbraw/zinc/62/88/85/588628885.db2.gz ZMEHTPCNKOVFLB-UHFFFAOYSA-N 0 1 221.304 2.226 20 0 BEADMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cnon1 ZINC000851805212 588631097 /nfs/dbraw/zinc/63/10/97/588631097.db2.gz ONFISZAZZABDAV-RISCZKNCSA-N 0 1 243.310 2.448 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851807783 588631503 /nfs/dbraw/zinc/63/15/03/588631503.db2.gz IWDOQSNPNDHHKU-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](CCOC(F)F)C1 ZINC000851807579 588631658 /nfs/dbraw/zinc/63/16/58/588631658.db2.gz FQYIUOSXWWOELX-JTQLQIEISA-N 0 1 207.264 2.348 20 0 BEADMN FC(F)OCCN(Cc1cccnc1)C1CC1 ZINC000851871136 588637349 /nfs/dbraw/zinc/63/73/49/588637349.db2.gz NBTVNKRBGVFNKN-UHFFFAOYSA-N 0 1 242.269 2.285 20 0 BEADMN CC[C@@H](C)[C@H](NCC1CC=CC1)C(=O)OC ZINC000851928792 588644755 /nfs/dbraw/zinc/64/47/55/588644755.db2.gz QHIHZRUWDMKSIH-PWSUYJOCSA-N 0 1 225.332 2.130 20 0 BEADMN CC1(C)CCCC[C@H]1NCc1cnon1 ZINC000851947508 588646869 /nfs/dbraw/zinc/64/68/69/588646869.db2.gz UFSLNWRUVLWDDF-SNVBAGLBSA-N 0 1 209.293 2.128 20 0 BEADMN CC(C)N(Cc1cccc(F)n1)[C@H]1CCOC1 ZINC000852070102 588659581 /nfs/dbraw/zinc/65/95/81/588659581.db2.gz OFCBJBPNVWDBKI-LBPRGKRZSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)=CCCN(C)[C@H]1CC(C)(C)OC1=O ZINC000852080029 588660593 /nfs/dbraw/zinc/66/05/93/588660593.db2.gz TVXTUGBDGPLUCK-NSHDSACASA-N 0 1 225.332 2.369 20 0 BEADMN c1nonc1CN1CCCc2ccccc2CC1 ZINC000852139486 588666543 /nfs/dbraw/zinc/66/65/43/588666543.db2.gz ATDAHVWSLLHLRZ-UHFFFAOYSA-N 0 1 243.310 2.061 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(Cc2cnon2)C1 ZINC000852149020 588667221 /nfs/dbraw/zinc/66/72/21/588667221.db2.gz CWXGTKXIZYRUFZ-JTQLQIEISA-N 0 1 223.320 2.328 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc2c(c1)COC2 ZINC000852288869 588676351 /nfs/dbraw/zinc/67/63/51/588676351.db2.gz UMMBPUWVJVUIOR-UHFFFAOYSA-N 0 1 243.310 2.072 20 0 BEADMN O=C1CCC2=C(CC[N@@H+](Cc3cccs3)C2)N1 ZINC000852297246 588677339 /nfs/dbraw/zinc/67/73/39/588677339.db2.gz GGSSJIXYVXEQHK-UHFFFAOYSA-N 0 1 248.351 2.118 20 0 BEADMN CC(C)C(=O)CCN1CCO[C@](C)(C2CC2)C1 ZINC000852322548 588678229 /nfs/dbraw/zinc/67/82/29/588678229.db2.gz MFZPGUOHTUOUOF-AWEZNQCLSA-N 0 1 239.359 2.103 20 0 BEADMN O=C1OCC[C@@H]1N1CC[C@@H](C2CCCCC2)C1 ZINC000852491305 588685246 /nfs/dbraw/zinc/68/52/46/588685246.db2.gz ZMRCNICQCQEIDJ-OLZOCXBDSA-N 0 1 237.343 2.204 20 0 BEADMN CC[C@H]1COC[C@@H]1NCc1cc(C2CC2)no1 ZINC000852554837 588689665 /nfs/dbraw/zinc/68/96/65/588689665.db2.gz DKIHLOLNZQTTFB-ZANVPECISA-N 0 1 236.315 2.067 20 0 BEADMN CC[C@H]1COC[C@H]1NCc1cc(C2CC2)no1 ZINC000852554835 588689832 /nfs/dbraw/zinc/68/98/32/588689832.db2.gz DKIHLOLNZQTTFB-TVQRCGJNSA-N 0 1 236.315 2.067 20 0 BEADMN O[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)C12CCC2 ZINC000852583809 588691870 /nfs/dbraw/zinc/69/18/70/588691870.db2.gz DCFWYAMVIFPCLC-XOPPAYCJSA-N 0 1 236.142 2.199 20 0 BEADMN CN(CC1OCCO1)C[C@@H]1CCc2ccccc21 ZINC000852724132 588697846 /nfs/dbraw/zinc/69/78/46/588697846.db2.gz BZKLGXKMSIQVTG-ZDUSSCGKSA-N 0 1 247.338 2.021 20 0 BEADMN COCCN1CCN(c2ccc(C)cc2C)CC1 ZINC000852742086 588698651 /nfs/dbraw/zinc/69/86/51/588698651.db2.gz CFYWINYDTZJQOG-UHFFFAOYSA-N 0 1 248.370 2.072 20 0 BEADMN CCC(CC)[C@H](C)C(=O)OCCN1CCC1 ZINC000861388532 589163084 /nfs/dbraw/zinc/16/30/84/589163084.db2.gz LIUBILQPEMFWJI-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN O=C(OCCN1CCC1)C1CCC2(CC2)CC1 ZINC000861389987 589163384 /nfs/dbraw/zinc/16/33/84/589163384.db2.gz FPLIPIQIOHWJMQ-UHFFFAOYSA-N 0 1 237.343 2.206 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)OCCN2CCC2)CC1 ZINC000861389514 589163448 /nfs/dbraw/zinc/16/34/48/589163448.db2.gz OJDPJXDMJNOJMU-JOCQHMNTSA-N 0 1 239.359 2.452 20 0 BEADMN CC1(C)CCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861389822 589163687 /nfs/dbraw/zinc/16/36/87/589163687.db2.gz ZBSJQKQVVBKRAJ-LLVKDONJSA-N 0 1 225.332 2.062 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1CC2CCC1CC2 ZINC000861391794 589164670 /nfs/dbraw/zinc/16/46/70/589164670.db2.gz YLHLNXLGMOBPCB-WXRRBKDZSA-N 0 1 237.343 2.062 20 0 BEADMN O=C(/C=C/C1CCCC1)N1CCc2nc[nH]c2C1 ZINC000861763489 589176852 /nfs/dbraw/zinc/17/68/52/589176852.db2.gz ROEAOCAOKMANLL-AATRIKPKSA-N 0 1 245.326 2.041 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000861809077 589178705 /nfs/dbraw/zinc/17/87/05/589178705.db2.gz PBJCVHQIERMDPC-OSUNSFLBSA-N 0 1 243.347 2.140 20 0 BEADMN Clc1cncc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000862442442 589213599 /nfs/dbraw/zinc/21/35/99/589213599.db2.gz CBXCELPHUUOSHY-AOOOYVTPSA-N 0 1 208.692 2.187 20 0 BEADMN CCc1ccc(CN[C@H]2CC=C(C(=O)OC)C2)o1 ZINC000862465067 589215878 /nfs/dbraw/zinc/21/58/78/589215878.db2.gz CWKODCBMOMUVKO-NSHDSACASA-N 0 1 249.310 2.193 20 0 BEADMN CCOC(=O)C1=CC[C@@H](NCc2occc2C)C1 ZINC000862488999 589217444 /nfs/dbraw/zinc/21/74/44/589217444.db2.gz WQVQTVOCNAFSBS-GFCCVEGCSA-N 0 1 249.310 2.330 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000119182881 589247043 /nfs/dbraw/zinc/24/70/43/589247043.db2.gz LLSSNOFDKAULQV-LLVKDONJSA-N 0 1 224.348 2.075 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000119183005 589247515 /nfs/dbraw/zinc/24/75/15/589247515.db2.gz LLSSNOFDKAULQV-NSHDSACASA-N 0 1 224.348 2.075 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCCC(C)(C)C2)C1 ZINC000119316600 589265835 /nfs/dbraw/zinc/26/58/35/589265835.db2.gz YLVKNKQRTBNWQC-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCCC(C)(C)C2)C1 ZINC000119316732 589265935 /nfs/dbraw/zinc/26/59/35/589265935.db2.gz YLVKNKQRTBNWQC-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN COc1cccc2c1C[N@H+](C/C=C(/C)C(=O)[O-])C2 ZINC000863475290 589291784 /nfs/dbraw/zinc/29/17/84/589291784.db2.gz KFESUFMGMPZHEH-POHAHGRESA-N 0 1 247.294 2.042 20 0 BEADMN COc1cccc2c1C[N@@H+](C/C=C(/C)C(=O)[O-])C2 ZINC000863475290 589291786 /nfs/dbraw/zinc/29/17/86/589291786.db2.gz KFESUFMGMPZHEH-POHAHGRESA-N 0 1 247.294 2.042 20 0 BEADMN CCN[C@H](C)c1nc(-c2cncc(C)c2)no1 ZINC000863659413 589308486 /nfs/dbraw/zinc/30/84/86/589308486.db2.gz CHINASQEJXFGSL-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(C)nc2)no1 ZINC000863659334 589308568 /nfs/dbraw/zinc/30/85/68/589308568.db2.gz IZIPUBCJDKXPCZ-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN c1ccc(-c2cccc([C@H]3COCCN3)c2)nc1 ZINC000863695757 589311204 /nfs/dbraw/zinc/31/12/04/589311204.db2.gz JYMHJNYHTKYUHO-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN c1ccc(-c2cccc([C@@H]3COCCN3)c2)nc1 ZINC000863695756 589311433 /nfs/dbraw/zinc/31/14/33/589311433.db2.gz JYMHJNYHTKYUHO-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN c1ccc(-c2ccc([C@H]3COCCN3)cc2)nc1 ZINC000863697886 589311785 /nfs/dbraw/zinc/31/17/85/589311785.db2.gz ZQEJKUINBLGUQY-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN CN(CC(=O)NC1C(C)(C)C1(C)C)C1CCC1 ZINC000863894439 589324400 /nfs/dbraw/zinc/32/44/00/589324400.db2.gz PELYZUADOLXXMB-UHFFFAOYSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nnc(CNC[C@@H]2C(C)(C)C2(F)F)s1 ZINC000864052887 589335082 /nfs/dbraw/zinc/33/50/82/589335082.db2.gz QYKIQOSHESWWJL-SSDOTTSWSA-N 0 1 247.314 2.227 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000864072045 589339034 /nfs/dbraw/zinc/33/90/34/589339034.db2.gz MCYBBGXJCYLGQM-IINYFYTJSA-N 0 1 238.375 2.164 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(CC)CC1CC1 ZINC000119935916 589348632 /nfs/dbraw/zinc/34/86/32/589348632.db2.gz PKSOJRLTOIMJSY-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000864688714 589389946 /nfs/dbraw/zinc/38/99/46/589389946.db2.gz FMOHVTXDJFEIJC-SNVBAGLBSA-N 0 1 225.675 2.047 20 0 BEADMN O=C(NO[C@@H]1CCCCO1)[C@]12C[C@H]1CCCC2 ZINC000865080922 589407909 /nfs/dbraw/zinc/40/79/09/589407909.db2.gz XDDNJXDBOYKQGA-NQBHXWOUSA-N 0 1 239.315 2.141 20 0 BEADMN O[C@@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865401986 589432843 /nfs/dbraw/zinc/43/28/43/589432843.db2.gz ORAWTZIDZGCCIQ-MRVPVSSYSA-N 0 1 246.232 2.062 20 0 BEADMN c1coc(CCNCc2cn(C3CC3)cn2)c1 ZINC000865402073 589433274 /nfs/dbraw/zinc/43/32/74/589433274.db2.gz HDAIVJNYJQVLLW-UHFFFAOYSA-N 0 1 231.299 2.143 20 0 BEADMN CCNCc1nccc(C)c1Br ZINC000865403277 589433280 /nfs/dbraw/zinc/43/32/80/589433280.db2.gz CQCQZVYRGWNIQK-UHFFFAOYSA-N 0 1 229.121 2.262 20 0 BEADMN FC(F)(F)c1cnccc1NC1CCOCC1 ZINC000865453616 589437013 /nfs/dbraw/zinc/43/70/13/589437013.db2.gz LKKFSBAIWCLVSH-UHFFFAOYSA-N 0 1 246.232 2.113 20 0 BEADMN COC[C@@H](C)CNc1ccncc1C(F)(F)F ZINC000865469692 589438479 /nfs/dbraw/zinc/43/84/79/589438479.db2.gz SQFHJEGPSCNAAU-QMMMGPOBSA-N 0 1 248.248 2.217 20 0 BEADMN FC(F)CNc1ccncc1C(F)(F)F ZINC000865572965 589447815 /nfs/dbraw/zinc/44/78/15/589447815.db2.gz FEMVGBKLQDWBMY-UHFFFAOYSA-N 0 1 226.148 2.199 20 0 BEADMN C[C@]1(O)CCN(c2ccncc2C(F)(F)F)C1 ZINC000865583725 589449436 /nfs/dbraw/zinc/44/94/36/589449436.db2.gz USSRYHPVICTTQG-JTQLQIEISA-N 0 1 246.232 2.062 20 0 BEADMN CO[C@H]([C@@H](C)NCc1cn(C2CC2)cn1)C1CC1 ZINC000865595022 589450001 /nfs/dbraw/zinc/45/00/01/589450001.db2.gz YCMYLLDKAUDWCL-QMTHXVAHSA-N 0 1 249.358 2.121 20 0 BEADMN O=c1[nH]ccc2oc(CN[C@@H]3CC34CC4)cc21 ZINC000865609480 589450902 /nfs/dbraw/zinc/45/09/02/589450902.db2.gz NDDUVAPRBQROCZ-LLVKDONJSA-N 0 1 230.267 2.176 20 0 BEADMN C[C@@H](COCC1CC1)NCc1cn(C2CC2)cn1 ZINC000865615788 589451336 /nfs/dbraw/zinc/45/13/36/589451336.db2.gz LXLXNOYBURFRLH-NSHDSACASA-N 0 1 249.358 2.123 20 0 BEADMN CC[C@@H](O)CCNc1ccncc1C(F)(F)F ZINC000865615710 589451571 /nfs/dbraw/zinc/45/15/71/589451571.db2.gz AJVNKVDCFWEHJR-MRVPVSSYSA-N 0 1 248.248 2.095 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cnc(Cl)c(F)c1 ZINC000865632958 589452838 /nfs/dbraw/zinc/45/28/38/589452838.db2.gz WAIPJALLFYFUDR-KOLCDFICSA-N 0 1 244.697 2.141 20 0 BEADMN C/C=C\CNCc1cc2c(cc[nH]c2=O)o1 ZINC000865642187 589453593 /nfs/dbraw/zinc/45/35/93/589453593.db2.gz DCCASMKDHQNWTA-IHWYPQMZSA-N 0 1 218.256 2.199 20 0 BEADMN C[C@@H](O)C[C@H](C)Nc1ccncc1C(F)(F)F ZINC000865669861 589455426 /nfs/dbraw/zinc/45/54/26/589455426.db2.gz LQIDWLASXWNDHX-JGVFFNPUSA-N 0 1 248.248 2.094 20 0 BEADMN Cc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1F ZINC000865699294 589457164 /nfs/dbraw/zinc/45/71/64/589457164.db2.gz OSJZULPNCKXCHX-NWDGAFQWSA-N 0 1 225.311 2.099 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCCC[C@@H]1F ZINC000865698743 589457191 /nfs/dbraw/zinc/45/71/91/589457191.db2.gz GVLJFKCQIVSILX-WDEREUQCSA-N 0 1 211.284 2.088 20 0 BEADMN CC(C)(NCc1cocn1)[C@H]1CCCCO1 ZINC000865743801 589460315 /nfs/dbraw/zinc/46/03/15/589460315.db2.gz IOZUQVFDVLSESK-LLVKDONJSA-N 0 1 224.304 2.112 20 0 BEADMN Cc1c[nH]c(CNC(C)(C)[C@H]2CCCCO2)n1 ZINC000865744470 589460462 /nfs/dbraw/zinc/46/04/62/589460462.db2.gz WXGJILAMBYXJDY-LLVKDONJSA-N 0 1 237.347 2.155 20 0 BEADMN Fc1cc(CN[C@H]2CCCn3nccc32)ccn1 ZINC000865871714 589466130 /nfs/dbraw/zinc/46/61/30/589466130.db2.gz KSMJFIBWLLRYKG-NSHDSACASA-N 0 1 246.289 2.042 20 0 BEADMN O[C@@H](CCNCc1nccs1)C1CCCC1 ZINC000865874511 589466810 /nfs/dbraw/zinc/46/68/10/589466810.db2.gz FNLOSRCYWHSSSL-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN C[C@H]1C[C@@H](Nc2ccncc2C(F)(F)F)CO1 ZINC000865902273 589467993 /nfs/dbraw/zinc/46/79/93/589467993.db2.gz SLXQGBKXXLSIHL-JGVFFNPUSA-N 0 1 246.232 2.112 20 0 BEADMN COCC1CN(c2ccncc2C(F)(F)F)C1 ZINC000865914729 589468469 /nfs/dbraw/zinc/46/84/69/589468469.db2.gz VVXSTDUYHGVZAH-UHFFFAOYSA-N 0 1 246.232 2.183 20 0 BEADMN CC(C)Cc1cc(N(C)Cc2cnc[nH]2)ncn1 ZINC000865929309 589468861 /nfs/dbraw/zinc/46/88/61/589468861.db2.gz GANIDBMPGOMBKL-UHFFFAOYSA-N 0 1 245.330 2.035 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnn(C)c2)c(C)o1 ZINC000120938874 589479083 /nfs/dbraw/zinc/47/90/83/589479083.db2.gz GTWSXNQNOXIDRG-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)[C@H](C)CO1 ZINC000120950803 589479242 /nfs/dbraw/zinc/47/92/42/589479242.db2.gz JYKMVCBGXSFHHO-GHMZBOCLSA-N 0 1 225.357 2.400 20 0 BEADMN F[C@H]1COc2ccccc2[C@@H]1NCC1CC1 ZINC000866226961 589481679 /nfs/dbraw/zinc/48/16/79/589481679.db2.gz WADYOMOCOSPBMU-AAEUAGOBSA-N 0 1 221.275 2.458 20 0 BEADMN Cc1cc(CN[C@H](C)CCc2cccnc2)no1 ZINC000866243690 589482352 /nfs/dbraw/zinc/48/23/52/589482352.db2.gz WOFVNYMQAFKCFY-LLVKDONJSA-N 0 1 245.326 2.489 20 0 BEADMN C[C@@H](CCc1cccnc1)NCc1cocn1 ZINC000866320260 589486246 /nfs/dbraw/zinc/48/62/46/589486246.db2.gz HBPBBSVQVVUXPE-NSHDSACASA-N 0 1 231.299 2.181 20 0 BEADMN Fc1cc(CN[C@@H]2CCCc3n[nH]cc32)ccn1 ZINC000866474848 589494835 /nfs/dbraw/zinc/49/48/35/589494835.db2.gz OMDBXPZCAAEPPZ-LLVKDONJSA-N 0 1 246.289 2.111 20 0 BEADMN COC[C@H](NCc1cccnc1Cl)C1CC1 ZINC000121221409 589518551 /nfs/dbraw/zinc/51/85/51/589518551.db2.gz BXPYQKBYPRPBNW-NSHDSACASA-N 0 1 240.734 2.250 20 0 BEADMN CCCCCC[N@@H+](C)CC(=O)[N-]OCC(C)C ZINC000122982403 589647089 /nfs/dbraw/zinc/64/70/89/589647089.db2.gz VIIJHIAZMMVJDT-UHFFFAOYSA-N 0 1 244.379 2.202 20 0 BEADMN COC(=O)C[C@@H]1CCCCN1C/C=C\Cl ZINC000208719552 589720395 /nfs/dbraw/zinc/72/03/95/589720395.db2.gz YLWCBZNSYURSED-OAQKJQOQSA-N 0 1 231.723 2.157 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000123508685 589740431 /nfs/dbraw/zinc/74/04/31/589740431.db2.gz JKLNDYZQOAETMC-UHFFFAOYSA-N 0 1 235.327 2.402 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000123527594 589747310 /nfs/dbraw/zinc/74/73/10/589747310.db2.gz MREPGNJIZWFWAX-LLVKDONJSA-N 0 1 233.311 2.156 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n[nH]1 ZINC000871517024 589762439 /nfs/dbraw/zinc/76/24/39/589762439.db2.gz YJEJFHTVLANBME-PHIMTYICSA-N 0 1 245.326 2.010 20 0 BEADMN CO[C@H]1C[C@@H](CSc2nc(C3CC3)n[nH]2)C1 ZINC000871644746 589780665 /nfs/dbraw/zinc/78/06/65/589780665.db2.gz LWWXAGQWDNWJRM-OTSSQURYSA-N 0 1 239.344 2.199 20 0 BEADMN CO[C@H]1C[C@@H](CSc2n[nH]c(C3CC3)n2)C1 ZINC000871644746 589780667 /nfs/dbraw/zinc/78/06/67/589780667.db2.gz LWWXAGQWDNWJRM-OTSSQURYSA-N 0 1 239.344 2.199 20 0 BEADMN C[C@H](COCCc1c[nH]nn1)C(C)(C)C ZINC000871751952 589805348 /nfs/dbraw/zinc/80/53/48/589805348.db2.gz CJTPQNUIQZWAFZ-SECBINFHSA-N 0 1 211.309 2.046 20 0 BEADMN CCn1cc(-c2ccc(CN(C)C)c(F)c2)nn1 ZINC000871884846 589827807 /nfs/dbraw/zinc/82/78/07/589827807.db2.gz AEFKMJBJZVKHMI-UHFFFAOYSA-N 0 1 248.305 2.166 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cnccn1 ZINC000871932703 589833931 /nfs/dbraw/zinc/83/39/31/589833931.db2.gz ZLCIERDGXLZPDG-KZVDOYCCSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cnccn1 ZINC000871932704 589833966 /nfs/dbraw/zinc/83/39/66/589833966.db2.gz ZLCIERDGXLZPDG-MNXVOIDGSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H]1CCC2=NN(c3ccnc(F)c3)C(=O)[C@H]2C1 ZINC000871953165 589840973 /nfs/dbraw/zinc/84/09/73/589840973.db2.gz DQQNIURSQGYXSH-WPRPVWTQSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccnc(F)c3)c(=O)c2C1 ZINC000871953165 589840974 /nfs/dbraw/zinc/84/09/74/589840974.db2.gz DQQNIURSQGYXSH-WPRPVWTQSA-N 0 1 247.273 2.360 20 0 BEADMN CCc1c(C)[nH]n(-c2ccnc(Cl)c2)c1=O ZINC000871953339 589841236 /nfs/dbraw/zinc/84/12/36/589841236.db2.gz LSMSIUSEPNXNCL-SECBINFHSA-N 0 1 237.690 2.484 20 0 BEADMN O=C1[C@H]2CCCCC2=NN1c1cccc(F)n1 ZINC000871952633 589841411 /nfs/dbraw/zinc/84/14/11/589841411.db2.gz IVGMHFICHRKERH-QMMMGPOBSA-N 0 1 233.246 2.114 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccnc(Cl)c1 ZINC000871953236 589841545 /nfs/dbraw/zinc/84/15/45/589841545.db2.gz HAOPBHNZXRAZIS-QMMMGPOBSA-N 0 1 235.674 2.238 20 0 BEADMN O=c1c2c([nH]n1-c1ccnc(Cl)c1)CCC2 ZINC000871953236 589841546 /nfs/dbraw/zinc/84/15/46/589841546.db2.gz HAOPBHNZXRAZIS-QMMMGPOBSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953426 589841690 /nfs/dbraw/zinc/84/16/90/589841690.db2.gz PLSBCKPZEBINFC-RDDDGLTNSA-N 0 1 249.701 2.484 20 0 BEADMN CCc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C ZINC000871955341 589842311 /nfs/dbraw/zinc/84/23/11/589842311.db2.gz YCAGJXXMUMBYBG-ZETCQYMHSA-N 0 1 237.690 2.484 20 0 BEADMN Cc1cccnc1N1N=C2[C@@H](CC[C@@H]2C)C1=O ZINC000871955295 589842458 /nfs/dbraw/zinc/84/24/58/589842458.db2.gz MLLNELWBNQAKSB-WCBMZHEXSA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cccnc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000871955293 589842476 /nfs/dbraw/zinc/84/24/76/589842476.db2.gz MLLNELWBNQAKSB-PSASIEDQSA-N 0 1 229.283 2.139 20 0 BEADMN COC[C@@H](C)n1[nH]c(CCC(C)C)cc1=O ZINC000871954876 589842526 /nfs/dbraw/zinc/84/25/26/589842526.db2.gz ONBGNRSVDDBGBQ-SNVBAGLBSA-N 0 1 226.320 2.046 20 0 BEADMN CC(C)CCc1cc(=O)n([C@H]2CCCOC2)[nH]1 ZINC000871957569 589843498 /nfs/dbraw/zinc/84/34/98/589843498.db2.gz ICGVJLPCCKOVJQ-LBPRGKRZSA-N 0 1 238.331 2.190 20 0 BEADMN Cc1cccnc1N1N=C2CCCC[C@@H]2C1=O ZINC000871956547 589843679 /nfs/dbraw/zinc/84/36/79/589843679.db2.gz VUQSCVPYLPDVTI-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN CC(C)CCc1cc(=O)n(CCOC(C)C)[nH]1 ZINC000871957594 589843755 /nfs/dbraw/zinc/84/37/55/589843755.db2.gz IORUGNDVPHJNQW-UHFFFAOYSA-N 0 1 240.347 2.436 20 0 BEADMN CC1(C)CCc2c([nH]n(CC(F)F)c2=O)C1 ZINC000871958217 589844134 /nfs/dbraw/zinc/84/41/34/589844134.db2.gz ALUGWBAUIDYDRV-SSDOTTSWSA-N 0 1 230.258 2.276 20 0 BEADMN COCC1(N[C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872057723 589861859 /nfs/dbraw/zinc/86/18/59/589861859.db2.gz HEYDROQMJCMKFI-VIFPVBQESA-N 0 1 239.290 2.361 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1cccc(O)c1F ZINC000872063915 589862643 /nfs/dbraw/zinc/86/26/43/589862643.db2.gz AGDCVUZTEHUDRK-DTWKUNHWSA-N 0 1 227.279 2.217 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1cc(O)ccc1F ZINC000872064985 589863156 /nfs/dbraw/zinc/86/31/56/589863156.db2.gz QMKWOICQYJKKHY-DTWKUNHWSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@@H](NCCOCCF)c1cc(O)ccc1F ZINC000872087390 589867850 /nfs/dbraw/zinc/86/78/50/589867850.db2.gz COEGOGJKYMRASK-SECBINFHSA-N 0 1 245.269 2.168 20 0 BEADMN C[C@@H](NCCOCCF)c1cccc(O)c1F ZINC000872089255 589867875 /nfs/dbraw/zinc/86/78/75/589867875.db2.gz VVSDYGHEHPONPQ-SECBINFHSA-N 0 1 245.269 2.168 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1nccn1C ZINC000872110368 589874457 /nfs/dbraw/zinc/87/44/57/589874457.db2.gz XWRKIKYIMBANDY-QNWHQSFQSA-N 0 1 249.358 2.028 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169222 589887382 /nfs/dbraw/zinc/88/73/82/589887382.db2.gz KNGVDPQZEPHIJJ-NTZNESFSSA-N 0 1 225.332 2.362 20 0 BEADMN COCC1([N@@H+](C)CCCCCC(=O)[O-])CCC1 ZINC000872171393 589888094 /nfs/dbraw/zinc/88/80/94/589888094.db2.gz PAUDEGMCXCOEMP-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)=CCN1CCN(C)c2ncccc2C1 ZINC000872266768 589903160 /nfs/dbraw/zinc/90/31/60/589903160.db2.gz FBLDRYSPYKSUPF-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN Cc1cccc(NCCC[C@H]2CCOC2=O)n1 ZINC000872704192 589963601 /nfs/dbraw/zinc/96/36/01/589963601.db2.gz VLSVBNFLSTUIPW-NSHDSACASA-N 0 1 234.299 2.145 20 0 BEADMN CCOc1cccc(F)c1CNC1CC1 ZINC000873007263 589979003 /nfs/dbraw/zinc/97/90/03/589979003.db2.gz ZKHINOXMKDCIJF-UHFFFAOYSA-N 0 1 209.264 2.476 20 0 BEADMN c1nc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cs1 ZINC000873157256 589988498 /nfs/dbraw/zinc/98/84/98/589988498.db2.gz VDVDLZNJUFBSFG-DLOVCJGASA-N 0 1 238.356 2.190 20 0 BEADMN CC[C@@H](NCc1cocn1)[C@@H](O)c1ccccc1 ZINC000873192800 589991131 /nfs/dbraw/zinc/99/11/31/589991131.db2.gz HGOXLKNRYLONLJ-KGLIPLIRSA-N 0 1 246.310 2.276 20 0 BEADMN COCCCOC(=O)c1c2cn[nH]c2ccc1C ZINC000873488663 590049952 /nfs/dbraw/zinc/04/99/52/590049952.db2.gz STYXBPIEQJEWRJ-UHFFFAOYSA-N 0 1 248.282 2.065 20 0 BEADMN CCC[C@H](CC)C(=O)OCCN1CCC1 ZINC000873550928 590056679 /nfs/dbraw/zinc/05/66/79/590056679.db2.gz GOGUXXWATYQLIG-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000873646586 590066294 /nfs/dbraw/zinc/06/62/94/590066294.db2.gz OXHQMHZOVOENSA-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN Cc1cncc([C@H]2CCC[N@H+]2CCC(=O)[O-])c1 ZINC000873647099 590066341 /nfs/dbraw/zinc/06/63/41/590066341.db2.gz AWHLNGHTHQWYRD-GFCCVEGCSA-N 0 1 234.299 2.002 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C(C)C)CC1 ZINC000873974672 590081799 /nfs/dbraw/zinc/08/17/99/590081799.db2.gz FYPVPAQTDNXKFZ-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(C)C)s1 ZINC000874153822 590094647 /nfs/dbraw/zinc/09/46/47/590094647.db2.gz GCXXXVTUECDXJH-NXEZZACHSA-N 0 1 240.372 2.184 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000874189193 590096042 /nfs/dbraw/zinc/09/60/42/590096042.db2.gz UVJXJIGTFWRNBB-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)c1[nH+]ccn1CCCCC(=O)[O-] ZINC000020474453 590115970 /nfs/dbraw/zinc/11/59/70/590115970.db2.gz IXVHUVIVXIKPNQ-UHFFFAOYSA-N 0 1 210.277 2.261 20 0 BEADMN CCC1(CC)CCCN1C(=O)[C@H](C)N(C)C ZINC000874628724 590119677 /nfs/dbraw/zinc/11/96/77/590119677.db2.gz FXFQVKGLRFJPCO-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccco1)c1cncs1 ZINC000125161984 590142397 /nfs/dbraw/zinc/14/23/97/590142397.db2.gz YMAGEIURLMVRDD-DTWKUNHWSA-N 0 1 238.312 2.120 20 0 BEADMN CC1(C(=O)NOc2ccccc2F)CC1 ZINC000874911585 590153613 /nfs/dbraw/zinc/15/36/13/590153613.db2.gz MLKQVPDDKKRVJO-UHFFFAOYSA-N 0 1 209.220 2.036 20 0 BEADMN CSC[C@H](C)C(=O)NOc1ccccc1F ZINC000874911399 590154623 /nfs/dbraw/zinc/15/46/23/590154623.db2.gz LEDDRKBWTSYXDN-QMMMGPOBSA-N 0 1 243.303 2.235 20 0 BEADMN O=C(NOc1ccccc1F)C1CC=CC1 ZINC000874910891 590154641 /nfs/dbraw/zinc/15/46/41/590154641.db2.gz BYYCEYYCJJKQMD-UHFFFAOYSA-N 0 1 221.231 2.202 20 0 BEADMN CC1(C)C[C@@H]1C(=O)NOc1ccccc1F ZINC000874911550 590154936 /nfs/dbraw/zinc/15/49/36/590154936.db2.gz LJGNUBJKISRAKC-MRVPVSSYSA-N 0 1 223.247 2.282 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCCC3(CC3)C2)[nH]n1 ZINC000888700800 590188003 /nfs/dbraw/zinc/18/80/03/590188003.db2.gz PTDLKXCDCNCONP-NSHDSACASA-N 0 1 247.342 2.100 20 0 BEADMN CCCN(CCC)Cc1cn(CCC)nn1 ZINC000876526592 590208425 /nfs/dbraw/zinc/20/84/25/590208425.db2.gz XTQVVDJTXYIJJJ-UHFFFAOYSA-N 0 1 224.352 2.310 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000876530047 590209643 /nfs/dbraw/zinc/20/96/43/590209643.db2.gz JJXJPWRKLUWFBM-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN CCN(Cc1cnc(OC)s1)C(C)C ZINC000876562557 590216478 /nfs/dbraw/zinc/21/64/78/590216478.db2.gz ZHGBXGUUCIGVTI-UHFFFAOYSA-N 0 1 214.334 2.382 20 0 BEADMN CCCn1cc(CN2CCC[C@H]2C(C)C)nn1 ZINC000876578795 590218179 /nfs/dbraw/zinc/21/81/79/590218179.db2.gz BKWPGUMBFAKDBY-ZDUSSCGKSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN(CC)C2CCCC2)nn1 ZINC000876581010 590218787 /nfs/dbraw/zinc/21/87/87/590218787.db2.gz WVHFHWGGJPARNS-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCCn1cc(CN(C)C[C@H](C)CC)nn1 ZINC000876611372 590221968 /nfs/dbraw/zinc/22/19/68/590221968.db2.gz YAQULVIONMJMQX-LLVKDONJSA-N 0 1 224.352 2.166 20 0 BEADMN COc1cnc(F)c(CN2CC[C@@H](C)C2)c1 ZINC000876637117 590225110 /nfs/dbraw/zinc/22/51/10/590225110.db2.gz QIFVHDGGFDAKNS-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN COC(=O)C(C)(C)N(C)CCC(C)(C)SC ZINC000876677727 590229533 /nfs/dbraw/zinc/22/95/33/590229533.db2.gz CFZNFURMTPWBOB-UHFFFAOYSA-N 0 1 247.404 2.402 20 0 BEADMN CCCn1cc(CN2CCCCC[C@@H]2C)nn1 ZINC000876732600 590234339 /nfs/dbraw/zinc/23/43/39/590234339.db2.gz ATAMJTJXXTTZEU-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN CC1=CCN(Cc2cnc3c(cnn3C)c2)CC1 ZINC000876748676 590237324 /nfs/dbraw/zinc/23/73/24/590237324.db2.gz CNWOEQFVJPAIIP-UHFFFAOYSA-N 0 1 242.326 2.120 20 0 BEADMN COc1cnc(F)c(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000876758473 590239248 /nfs/dbraw/zinc/23/92/48/590239248.db2.gz JKXNKFJUCMHNNY-VHSXEESVSA-N 0 1 238.306 2.460 20 0 BEADMN CO[C@@H](C)CCNCc1nc(Cl)cs1 ZINC000876997011 590266931 /nfs/dbraw/zinc/26/69/31/590266931.db2.gz KUTGDZRKWQOXLG-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN Clc1csc(CN[C@H]2CCCOC2)n1 ZINC000877008680 590268803 /nfs/dbraw/zinc/26/88/03/590268803.db2.gz VWMRISZDKPBCBX-ZETCQYMHSA-N 0 1 232.736 2.065 20 0 BEADMN CCc1cc(CNCc2cc(C3CC3)no2)n[nH]1 ZINC000877033637 590272265 /nfs/dbraw/zinc/27/22/65/590272265.db2.gz JAMUBJKSOLRICF-UHFFFAOYSA-N 0 1 246.314 2.127 20 0 BEADMN COC(C)(C)CNCc1nc(Cl)cs1 ZINC000877068030 590277192 /nfs/dbraw/zinc/27/71/92/590277192.db2.gz OZGKJUZDMYCVEE-UHFFFAOYSA-N 0 1 234.752 2.311 20 0 BEADMN Cc1ccc(NCCC[C@@H]2CCO2)c(N(C)C)n1 ZINC000877123133 590288817 /nfs/dbraw/zinc/28/88/17/590288817.db2.gz OFBYSGOBDXSMAJ-GFCCVEGCSA-N 0 1 249.358 2.437 20 0 BEADMN C[C@](CO)(NCc1nc(Cl)cs1)C1CC1 ZINC000877159601 590294057 /nfs/dbraw/zinc/29/40/57/590294057.db2.gz ZLXXXTKPANGXIF-SNVBAGLBSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@H](C[C@H](C)O)NCc1nc(Cl)cs1 ZINC000877195810 590299388 /nfs/dbraw/zinc/29/93/88/590299388.db2.gz NJSFSMTUEFTTAB-RQJHMYQMSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1nc(Cl)cs1 ZINC000877307299 590308163 /nfs/dbraw/zinc/30/81/63/590308163.db2.gz FQVPSEORVKMLRE-XCBNKYQSSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1nc(Cl)cs1 ZINC000877307298 590310550 /nfs/dbraw/zinc/31/05/50/590310550.db2.gz FQVPSEORVKMLRE-OIBJUYFYSA-N 0 1 246.763 2.454 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCC[C@@H]2CCO2)n1 ZINC000877344898 590318695 /nfs/dbraw/zinc/31/86/95/590318695.db2.gz QVPRKLKJKYGCMF-VXGBXAGGSA-N 0 1 235.331 2.116 20 0 BEADMN C/C=C\C[C@H](CO)NCc1nc(Cl)cs1 ZINC000877406223 590322940 /nfs/dbraw/zinc/32/29/40/590322940.db2.gz SEZOVIMLJMXNEY-YAJNLLPGSA-N 0 1 246.763 2.213 20 0 BEADMN OCCC1(CNCc2nc(Cl)cs2)CC1 ZINC000877442558 590328647 /nfs/dbraw/zinc/32/86/47/590328647.db2.gz NSVHNQFRFXGASL-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN CC1(C)SC[C@H]1NCc1ccc(Cl)nn1 ZINC000877504263 590342807 /nfs/dbraw/zinc/34/28/07/590342807.db2.gz IGKZVPSRAFHPDW-MRVPVSSYSA-N 0 1 243.763 2.114 20 0 BEADMN CCCn1cc(CN2[C@@H](C)CC[C@@H]2CC)nn1 ZINC000877530996 590348684 /nfs/dbraw/zinc/34/86/84/590348684.db2.gz HJLNMSIHIPMULC-AAEUAGOBSA-N 0 1 236.363 2.451 20 0 BEADMN CO[C@@H](CNCc1nc(Cl)cs1)C1CC1 ZINC000877552772 590354864 /nfs/dbraw/zinc/35/48/64/590354864.db2.gz SZGCQDOAQOOJFI-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN CCOCC(C)(C)NCc1ccc(Cl)nn1 ZINC000877551240 590355191 /nfs/dbraw/zinc/35/51/91/590355191.db2.gz VPICGQUFPFSRIU-UHFFFAOYSA-N 0 1 243.738 2.035 20 0 BEADMN CCc1nc(CN[C@H]2CS[C@@H](C)C2)co1 ZINC000877569975 590362134 /nfs/dbraw/zinc/36/21/34/590362134.db2.gz BZNYPFOBAMHYCN-DTWKUNHWSA-N 0 1 226.345 2.221 20 0 BEADMN CCC1(CNCc2nc(Cl)cs2)COC1 ZINC000877573156 590363267 /nfs/dbraw/zinc/36/32/67/590363267.db2.gz OSWFJNBHKGUKLV-UHFFFAOYSA-N 0 1 246.763 2.313 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc(Cl)cs2)C1 ZINC000877584689 590368044 /nfs/dbraw/zinc/36/80/44/590368044.db2.gz WQJLZKQRRJMSBH-OCAPTIKFSA-N 0 1 246.763 2.454 20 0 BEADMN CCn1ccc(CNC[C@H]2CC2(Cl)Cl)n1 ZINC000877588248 590369293 /nfs/dbraw/zinc/36/92/93/590369293.db2.gz YKNALQPTBDGXRO-MRVPVSSYSA-N 0 1 248.157 2.186 20 0 BEADMN C1=C[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000877624034 590377359 /nfs/dbraw/zinc/37/73/59/590377359.db2.gz HKBSLBLQOGQYAI-JTQLQIEISA-N 0 1 204.273 2.360 20 0 BEADMN Fc1cc(CNC2CSC2)cnc1Cl ZINC000877634515 590379601 /nfs/dbraw/zinc/37/96/01/590379601.db2.gz QZMNGUSGLKELGW-UHFFFAOYSA-N 0 1 232.711 2.079 20 0 BEADMN CC1(CN2CCc3nccnc3C2)CCCC1 ZINC000877636748 590380467 /nfs/dbraw/zinc/38/04/67/590380467.db2.gz HHQFQAPNHVPHFL-UHFFFAOYSA-N 0 1 231.343 2.415 20 0 BEADMN CCC[C@H](CCO)NCc1nc(Cl)cs1 ZINC000877666728 590389052 /nfs/dbraw/zinc/38/90/52/590389052.db2.gz HBUGZPDRXOBSCP-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN CC1(NCc2cnc3ccccc3c2)COC1 ZINC000877691915 590392783 /nfs/dbraw/zinc/39/27/83/590392783.db2.gz XLDDVBZTCZSNCZ-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)n(C)n1 ZINC000877700663 590395264 /nfs/dbraw/zinc/39/52/64/590395264.db2.gz SJKBJZTVUVQVPQ-UHFFFAOYSA-N 0 1 225.311 2.053 20 0 BEADMN CNC(=O)CN(Cc1ccccc1)CC1(C)CC1 ZINC000877772987 590422260 /nfs/dbraw/zinc/42/22/60/590422260.db2.gz WTAFVIBBYQUUQV-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN CC[C@H](C[C@@H](C)O)NCc1nc(Cl)cs1 ZINC000877778147 590422659 /nfs/dbraw/zinc/42/26/59/590422659.db2.gz KKDURFQLLOAFIA-HTQZYQBOSA-N 0 1 248.779 2.436 20 0 BEADMN CCn1ncnc1CNCCC[C@@H]1C=CCC1 ZINC000877805190 590425609 /nfs/dbraw/zinc/42/56/09/590425609.db2.gz IJHMVTZBJVWCRD-GFCCVEGCSA-N 0 1 234.347 2.134 20 0 BEADMN c1nnc(-c2ccccc2OCCOC2CC2)[nH]1 ZINC000877879294 590436409 /nfs/dbraw/zinc/43/64/09/590436409.db2.gz WLZLGAFGXHYOFO-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN C[C@H]1CN(C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877896349 590441791 /nfs/dbraw/zinc/44/17/91/590441791.db2.gz XTKLIZWTPCYUFG-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)[C@H](O)CCN(C)Cc1ccco1 ZINC000877906788 590444266 /nfs/dbraw/zinc/44/42/66/590444266.db2.gz XGGBWVGGQABKJX-GFCCVEGCSA-N 0 1 211.305 2.118 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C)cc1 ZINC000877905376 590444855 /nfs/dbraw/zinc/44/48/55/590444855.db2.gz IJNRGTLZFLYHBQ-CYBMUJFWSA-N 0 1 247.342 2.211 20 0 BEADMN CCCC[N@@H+](CC)CC(=O)Nc1ncccc1C ZINC000877907557 590445139 /nfs/dbraw/zinc/44/51/39/590445139.db2.gz FFANVVUXXOTDOL-UHFFFAOYSA-N 0 1 249.358 2.451 20 0 BEADMN CCCCN(CC)CC(=O)Nc1ncccc1C ZINC000877907557 590445142 /nfs/dbraw/zinc/44/51/42/590445142.db2.gz FFANVVUXXOTDOL-UHFFFAOYSA-N 0 1 249.358 2.451 20 0 BEADMN CCCCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877910199 590445932 /nfs/dbraw/zinc/44/59/32/590445932.db2.gz MPZICBYVEJKTQQ-GWCFXTLKSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)[C@@H](C)CO1 ZINC000877920384 590447601 /nfs/dbraw/zinc/44/76/01/590447601.db2.gz KYXSBZAYIKPIFF-XQQFMLRXSA-N 0 1 239.359 2.197 20 0 BEADMN Cc1cccnc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000877925176 590448337 /nfs/dbraw/zinc/44/83/37/590448337.db2.gz SVWSPKLCURUUJG-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)C1CCCC1 ZINC000877925176 590448340 /nfs/dbraw/zinc/44/83/40/590448340.db2.gz SVWSPKLCURUUJG-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)[C@H](C)C1CC1 ZINC000877929692 590449768 /nfs/dbraw/zinc/44/97/68/590449768.db2.gz KWXYPSKHHMGNLZ-LLVKDONJSA-N 0 1 247.342 2.059 20 0 BEADMN Oc1cccc(-c2nnc(CN3CCCC3)o2)c1 ZINC000877935807 590452462 /nfs/dbraw/zinc/45/24/62/590452462.db2.gz WKIVGBORCNUYJW-UHFFFAOYSA-N 0 1 245.282 2.038 20 0 BEADMN CC(C)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877950152 590454913 /nfs/dbraw/zinc/45/49/13/590454913.db2.gz CBZYPHFXTFKMPO-GXFFZTMASA-N 0 1 249.358 2.238 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)CCO1 ZINC000877956880 590457207 /nfs/dbraw/zinc/45/72/07/590457207.db2.gz BSVGRHPBFXDTIK-YIYPIFLZSA-N 0 1 239.359 2.055 20 0 BEADMN CCC(CC)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000877962948 590459124 /nfs/dbraw/zinc/45/91/24/590459124.db2.gz BPSMOZBCGPPIFY-NOZJJQNGSA-N 0 1 249.358 2.380 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1CCCC1 ZINC000877962400 590459630 /nfs/dbraw/zinc/45/96/30/590459630.db2.gz IOTXLFLVXIMEKF-ZANVPECISA-N 0 1 247.342 2.134 20 0 BEADMN CC[N@@H+](CCOC)C[C@H]1CCC2(CCC2)O1 ZINC000877993412 590467677 /nfs/dbraw/zinc/46/76/77/590467677.db2.gz LLMLMXSEZMJTKU-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2ccoc2C)C1 ZINC000877992584 590468039 /nfs/dbraw/zinc/46/80/39/590468039.db2.gz WFIJUCXRPRTECD-BJHJDKERSA-N 0 1 223.316 2.445 20 0 BEADMN CCCCN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878007710 590470978 /nfs/dbraw/zinc/47/09/78/590470978.db2.gz INRRHVUDWUMVPV-ZWNOBZJWSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@H](C(=O)Nc1cccc2cnccc21)N(C)C ZINC000878060337 590485549 /nfs/dbraw/zinc/48/55/49/590485549.db2.gz GTWKCYKNHUJQLZ-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1CC2(CCC2)CO1 ZINC000878198460 590523500 /nfs/dbraw/zinc/52/35/00/590523500.db2.gz WSUULVZGPFCYPI-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN C=C/C=C/CCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000878440565 590568573 /nfs/dbraw/zinc/56/85/73/590568573.db2.gz KKTOHNJTUSZRJQ-PUWCWTCHSA-N 0 1 249.354 2.189 20 0 BEADMN C[C@@H]1CCN(CCCC2CC2)CC[S@]1=O ZINC000878512571 590583735 /nfs/dbraw/zinc/58/37/35/590583735.db2.gz PYGOXQKDILVXJM-IAQYHMDHSA-N 0 1 229.389 2.020 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC[C@@H]1CCCC1(F)F ZINC000878537554 590588389 /nfs/dbraw/zinc/58/83/89/590588389.db2.gz OXUUBSSWOGZYJO-ZJUUUORDSA-N 0 1 249.301 2.305 20 0 BEADMN CCC(CC)(CCO)NCc1nocc1C ZINC000878564343 590592911 /nfs/dbraw/zinc/59/29/11/590592911.db2.gz QHEBITLVHOAGGH-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN C(CC1CC1)CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000878606489 590594900 /nfs/dbraw/zinc/59/49/00/590594900.db2.gz PRZNTEOCAVILKZ-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN CCc1nocc1CN(C)CC[C@H](O)C(C)C ZINC000878653001 590602316 /nfs/dbraw/zinc/60/23/16/590602316.db2.gz YWTCTEHJTDLNPY-ZDUSSCGKSA-N 0 1 240.347 2.076 20 0 BEADMN CC1(C)CC[C@H](CN2CC[C@H](F)C2)OC1 ZINC000878663031 590605291 /nfs/dbraw/zinc/60/52/91/590605291.db2.gz GEUQMHAONPZUSV-WDEREUQCSA-N 0 1 215.312 2.235 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878668173 590606474 /nfs/dbraw/zinc/60/64/74/590606474.db2.gz NTZSSPAXIZQTEP-AEGPPILISA-N 0 1 246.354 2.471 20 0 BEADMN C=C/C=C/CC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000878686828 590609700 /nfs/dbraw/zinc/60/97/00/590609700.db2.gz HXZLGNOKANSPEK-VOTSOKGWSA-N 0 1 247.342 2.448 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1scnc1Cl ZINC000878705719 590612983 /nfs/dbraw/zinc/61/29/83/590612983.db2.gz GJSWNURAUXXMKY-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN FC1(F)C[C@H]2C[N@@H+](CCCC3CC3)CCN2C1 ZINC000878746701 590618197 /nfs/dbraw/zinc/61/81/97/590618197.db2.gz DDNPYSQGDMHGGS-LBPRGKRZSA-N 0 1 244.329 2.202 20 0 BEADMN Cc1conc1CN1CC[C@H](c2cccnc2)C1 ZINC000878760955 590619286 /nfs/dbraw/zinc/61/92/86/590619286.db2.gz SBCHYKCTONBPFO-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CC(C)(CC(=O)NCc1cnc[nH]1)CC(F)F ZINC000878907789 590644660 /nfs/dbraw/zinc/64/46/60/590644660.db2.gz PCZLIUWEOZKAQB-UHFFFAOYSA-N 0 1 245.273 2.097 20 0 BEADMN C=C/C=C/CCN(CCF)CCOC ZINC000878920109 590652151 /nfs/dbraw/zinc/65/21/51/590652151.db2.gz SODSADNHLOTFPK-SNAWJCMRSA-N 0 1 201.285 2.037 20 0 BEADMN CC(=O)CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000879009056 590677603 /nfs/dbraw/zinc/67/76/03/590677603.db2.gz NZQKPNWDYVBHLJ-NSHDSACASA-N 0 1 233.311 2.251 20 0 BEADMN COc1cccc2c1CN(CC[C@@H](O)C(C)C)C2 ZINC000879054130 590688229 /nfs/dbraw/zinc/68/82/29/590688229.db2.gz KNIFQDWJEAWBOH-CQSZACIVSA-N 0 1 249.354 2.418 20 0 BEADMN CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879173770 590708352 /nfs/dbraw/zinc/70/83/52/590708352.db2.gz SSHPJBLYGPXKIO-ZANVPECISA-N 0 1 247.342 2.087 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC(CCF)CC1 ZINC000879208151 590715318 /nfs/dbraw/zinc/71/53/18/590715318.db2.gz SYFZTIXNZYPHCT-NYYWCZLTSA-N 0 1 243.322 2.177 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)NCCN1CCC1 ZINC000879270559 590725424 /nfs/dbraw/zinc/72/54/24/590725424.db2.gz RSGBCNQYHUYKBN-OCCSQVGLSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C)CCC1 ZINC000879293321 590728823 /nfs/dbraw/zinc/72/88/23/590728823.db2.gz YDPXRGWJSFJNDG-CABZTGNLSA-N 0 1 247.342 2.134 20 0 BEADMN CC(C)(NCc1ccno1)[C@@H]1CCCCO1 ZINC000879407296 590763637 /nfs/dbraw/zinc/76/36/37/590763637.db2.gz NUFHOVSEMNYHPH-NSHDSACASA-N 0 1 224.304 2.112 20 0 BEADMN C[C@@H](O)CN1CCC[C@](F)(c2ccccc2)C1 ZINC000879478197 590777650 /nfs/dbraw/zinc/77/76/50/590777650.db2.gz OOXOHNTYQFCZLJ-TZMCWYRMSA-N 0 1 237.318 2.328 20 0 BEADMN COc1cccc([C@H]2C[N@@H+](CC3CC3)CCN2)c1 ZINC000879526098 590790245 /nfs/dbraw/zinc/79/02/45/590790245.db2.gz UCHNCIIMQAWYST-OAHLLOKOSA-N 0 1 246.354 2.052 20 0 BEADMN Cc1conc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879565101 590803939 /nfs/dbraw/zinc/80/39/39/590803939.db2.gz PSIBTSZSMPQHPO-GHMZBOCLSA-N 0 1 238.356 2.168 20 0 BEADMN Cc1conc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879565106 590804357 /nfs/dbraw/zinc/80/43/57/590804357.db2.gz PSIBTSZSMPQHPO-WDEREUQCSA-N 0 1 238.356 2.168 20 0 BEADMN COC(CN(C)Cc1ccc2cc[nH]c2c1)OC ZINC000879724593 590856892 /nfs/dbraw/zinc/85/68/92/590856892.db2.gz LLLILXFMHYXMGZ-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1c(Cl)ccc2c1CN(C[C@@H](C)O)CC2 ZINC000879769518 590862369 /nfs/dbraw/zinc/86/23/69/590862369.db2.gz SXJSSQOMEZRWIB-SECBINFHSA-N 0 1 239.746 2.387 20 0 BEADMN Cc1cncc([C@@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000879749929 590862748 /nfs/dbraw/zinc/86/27/48/590862748.db2.gz NFDJUUROLKYWEV-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CCN(C#N)CCN1CC[C@](C)(C(F)(F)F)C1 ZINC000880004412 590905562 /nfs/dbraw/zinc/90/55/62/590905562.db2.gz UXDYUXSSVCTABO-JTQLQIEISA-N 0 1 249.280 2.064 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cnon1)C(C)(C)C ZINC000880076590 590918621 /nfs/dbraw/zinc/91/86/21/590918621.db2.gz QFTPWENTGGLFHO-SECBINFHSA-N 0 1 211.309 2.184 20 0 BEADMN C[C@H](CN(C)Cc1cnon1)C(C)(C)C ZINC000880076590 590918623 /nfs/dbraw/zinc/91/86/23/590918623.db2.gz QFTPWENTGGLFHO-SECBINFHSA-N 0 1 211.309 2.184 20 0 BEADMN COc1ccc(CN2CCC[C@@H](CF)C2)nc1 ZINC000880237071 590967577 /nfs/dbraw/zinc/96/75/77/590967577.db2.gz PNIPMKWBTGTCLI-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN FC[C@@H]1CCCN(Cc2cncs2)C1 ZINC000880237334 590967735 /nfs/dbraw/zinc/96/77/35/590967735.db2.gz AWHZNKFCSGQXDQ-VIFPVBQESA-N 0 1 214.309 2.325 20 0 BEADMN FC[C@@H]1CCCN(Cc2ccns2)C1 ZINC000880238004 590969313 /nfs/dbraw/zinc/96/93/13/590969313.db2.gz MMFXWONDQLPJDR-VIFPVBQESA-N 0 1 214.309 2.325 20 0 BEADMN Cc1cc(CN2CCC[C@H](CF)C2)nc(C)n1 ZINC000880238772 590971829 /nfs/dbraw/zinc/97/18/29/590971829.db2.gz XJUQZIGRNDQSLR-GFCCVEGCSA-N 0 1 237.322 2.275 20 0 BEADMN CN(C)c1ccc(CN2CCC(F)CC2)cn1 ZINC000880239549 590972491 /nfs/dbraw/zinc/97/24/91/590972491.db2.gz LAIXUJUAJGZFAY-UHFFFAOYSA-N 0 1 237.322 2.082 20 0 BEADMN Cc1ccnc(CN2CCC(F)CC2)c1 ZINC000880239899 590972755 /nfs/dbraw/zinc/97/27/55/590972755.db2.gz JAOSIWYEKJFOEM-UHFFFAOYSA-N 0 1 208.280 2.324 20 0 BEADMN Cc1cccc2nc(CN3CC[C@H](CF)C3)cn21 ZINC000880294749 590988293 /nfs/dbraw/zinc/98/82/93/590988293.db2.gz DZEXNPJYDJOXPH-GFCCVEGCSA-N 0 1 247.317 2.434 20 0 BEADMN Cc1csc(CN2CC[C@H](CF)C2)n1 ZINC000880295654 590990409 /nfs/dbraw/zinc/99/04/09/590990409.db2.gz WVCJDKGIFQNQHT-SECBINFHSA-N 0 1 214.309 2.243 20 0 BEADMN c1csc([C@H]2CCN(Cc3ccno3)C2)n1 ZINC000880314857 591002002 /nfs/dbraw/zinc/00/20/02/591002002.db2.gz GGIWCKOUJAJUBS-VIFPVBQESA-N 0 1 235.312 2.121 20 0 BEADMN C[C@@H]1C[C@@H]1CNC1(c2ncccn2)CCC1 ZINC000880367534 591011891 /nfs/dbraw/zinc/01/18/91/591011891.db2.gz GZBKYELNGHMFQU-GHMZBOCLSA-N 0 1 217.316 2.101 20 0 BEADMN C[C@H]1C[C@H]1CNC1(c2ncccn2)CCC1 ZINC000880367536 591012199 /nfs/dbraw/zinc/01/21/99/591012199.db2.gz GZBKYELNGHMFQU-QWRGUYRKSA-N 0 1 217.316 2.101 20 0 BEADMN Fc1cc2c(cc1F)CN(Cc1cnc[nH]1)CC2 ZINC000880445067 591046243 /nfs/dbraw/zinc/04/62/43/591046243.db2.gz VRXVPIKUXKUXBX-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN CC(C)Oc1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880485134 591058813 /nfs/dbraw/zinc/05/88/13/591058813.db2.gz BEWJTRLOBOBASO-CQSZACIVSA-N 0 1 247.338 2.207 20 0 BEADMN Cc1conc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880499594 591074613 /nfs/dbraw/zinc/07/46/13/591074613.db2.gz SXJQYNCEBHAJNZ-OLZOCXBDSA-N 0 1 236.315 2.174 20 0 BEADMN ClC(Cl)=CCN1CCc2ncncc2C1 ZINC000880597663 591106576 /nfs/dbraw/zinc/10/65/76/591106576.db2.gz CMWXHELVMLUAIF-UHFFFAOYSA-N 0 1 244.125 2.154 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cncc2ccccc21 ZINC000128547004 591118067 /nfs/dbraw/zinc/11/80/67/591118067.db2.gz JMCZZVOZAYMKCQ-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CN[C@H](C)c1cn(CC2CC3(CCC3)C2)nn1 ZINC000881426763 591204243 /nfs/dbraw/zinc/20/42/43/591204243.db2.gz RBLMWLPHMJXAQY-SNVBAGLBSA-N 0 1 234.347 2.139 20 0 BEADMN CCC[C@@H](C)CCNC(=O)CCc1cnc[nH]1 ZINC000881532556 591231862 /nfs/dbraw/zinc/23/18/62/591231862.db2.gz SDHFCRDIEULCLE-LLVKDONJSA-N 0 1 237.347 2.285 20 0 BEADMN CCC[C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC000881532827 591232408 /nfs/dbraw/zinc/23/24/08/591232408.db2.gz WMPAQWRCFCHOPN-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CN(CC(=O)NC[C@]1(C)CC1(C)C)C1CCC1 ZINC000881544287 591237033 /nfs/dbraw/zinc/23/70/33/591237033.db2.gz ASWQFKNQGCFDDB-AWEZNQCLSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H](O)CCSc1nc(C2CC2)n[nH]1 ZINC000882088843 591296110 /nfs/dbraw/zinc/29/61/10/591296110.db2.gz JUFCJBZVVUOYJM-VIFPVBQESA-N 0 1 241.360 2.181 20 0 BEADMN CC(C)[C@@H](O)CCSc1n[nH]c(C2CC2)n1 ZINC000882088843 591296112 /nfs/dbraw/zinc/29/61/12/591296112.db2.gz JUFCJBZVVUOYJM-VIFPVBQESA-N 0 1 241.360 2.181 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ncnc(C)c2C)[nH]n1 ZINC000882109764 591299218 /nfs/dbraw/zinc/29/92/18/591299218.db2.gz LNLIIDOVRNBLFX-QMMMGPOBSA-N 0 1 245.330 2.168 20 0 BEADMN CC1(C)C[C@@H](CSc2cn[nH]n2)C(C)(C)O1 ZINC000882139552 591305012 /nfs/dbraw/zinc/30/50/12/591305012.db2.gz YHKCGXLPCBRLEI-QMMMGPOBSA-N 0 1 241.360 2.491 20 0 BEADMN C[C@@H]1c2sccc2CCN1C(=O)c1cnc[nH]1 ZINC000882188128 591313047 /nfs/dbraw/zinc/31/30/47/591313047.db2.gz KXOAYGGAOXJTPX-MRVPVSSYSA-N 0 1 247.323 2.231 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC000882486029 591360520 /nfs/dbraw/zinc/36/05/20/591360520.db2.gz NVGSSCCORFZCSG-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC000882486030 591362616 /nfs/dbraw/zinc/36/26/16/591362616.db2.gz NVGSSCCORFZCSG-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CCCC(C)(C)C ZINC000882486990 591363117 /nfs/dbraw/zinc/36/31/17/591363117.db2.gz ZLCXEEJEINUGJI-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CCC(C)(C)C ZINC000882487651 591363245 /nfs/dbraw/zinc/36/32/45/591363245.db2.gz YGNPQGIEYPVMAX-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)/C=C(\C)C(C)(C)C ZINC000882488032 591363386 /nfs/dbraw/zinc/36/33/86/591363386.db2.gz NJEVQPHVNDKCIB-ZKQHCESOSA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CCCC(C)(C)C ZINC000882486989 591364166 /nfs/dbraw/zinc/36/41/66/591364166.db2.gz ZLCXEEJEINUGJI-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](CC(=O)NC[C@H]1CCN1CC)C(C)C ZINC000882487030 591364858 /nfs/dbraw/zinc/36/48/58/591364858.db2.gz QZEHTAXEKWOUOQ-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H](C(=O)NC[C@@H]1CCN1CC)C(C)C ZINC000882490557 591368830 /nfs/dbraw/zinc/36/88/30/591368830.db2.gz RFHIDELSIUMNEI-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000882492184 591371632 /nfs/dbraw/zinc/37/16/32/591371632.db2.gz PZGUZPPAXKPLFN-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@](C)(CC)C(=O)NC[C@@H]1CCN1CC ZINC000882492674 591371698 /nfs/dbraw/zinc/37/16/98/591371698.db2.gz SEAYHVBUVVQPGF-JSGCOSHPSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC000882493508 591374797 /nfs/dbraw/zinc/37/47/97/591374797.db2.gz ICTWGWQBYXPSRT-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000882494205 591375646 /nfs/dbraw/zinc/37/56/46/591375646.db2.gz HSKAUHVKUYJABC-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](CC)C(=O)NC[C@@H]1CCN1CC ZINC000882498245 591378710 /nfs/dbraw/zinc/37/87/10/591378710.db2.gz SECIRKQEGHZNHC-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)O[C@@H](C)CC(C)C ZINC000882764158 591433495 /nfs/dbraw/zinc/43/34/95/591433495.db2.gz LPEVVOQQEXHIRS-NWDGAFQWSA-N 0 1 242.363 2.241 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@H]2CCCCO2)n1 ZINC000882921353 591474654 /nfs/dbraw/zinc/47/46/54/591474654.db2.gz FFSFDEKZUBONAO-LLVKDONJSA-N 0 1 237.347 2.192 20 0 BEADMN CCC(N)=NOCc1ccc(C)c(OC)c1 ZINC000882958929 591484752 /nfs/dbraw/zinc/48/47/52/591484752.db2.gz OQDRDUQYPIJHLZ-UHFFFAOYSA-N 0 1 222.288 2.412 20 0 BEADMN CCOC(C)(C)CNCc1nc(C(C)C)c[nH]1 ZINC000883098243 591539054 /nfs/dbraw/zinc/53/90/54/591539054.db2.gz GYXXWFZTRLXUMN-UHFFFAOYSA-N 0 1 239.363 2.438 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883145113 591551365 /nfs/dbraw/zinc/55/13/65/591551365.db2.gz NKOQGKHZFYAZSZ-PWSUYJOCSA-N 0 1 237.347 2.190 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nc(C(C)C)c[nH]2)C1 ZINC000883166477 591558044 /nfs/dbraw/zinc/55/80/44/591558044.db2.gz AJRMTQVVOWKDPG-XYPYZODXSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2C=CCC2)n1 ZINC000883166817 591558079 /nfs/dbraw/zinc/55/80/79/591558079.db2.gz JLETXKHRQBGNPJ-JTQLQIEISA-N 0 1 205.305 2.341 20 0 BEADMN CC(C)(F)CNCc1ccc2oc(=O)oc2c1 ZINC000883193581 591568760 /nfs/dbraw/zinc/56/87/60/591568760.db2.gz ZEZZEGYGUGGBSL-UHFFFAOYSA-N 0 1 239.246 2.224 20 0 BEADMN c1cc(CCN[C@@H]2CCCn3ccnc32)sn1 ZINC000883247755 591588641 /nfs/dbraw/zinc/58/86/41/591588641.db2.gz VGQQYKUPEWYKLX-LLVKDONJSA-N 0 1 248.355 2.007 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)CO1)c1ncc[nH]1 ZINC000883249541 591590997 /nfs/dbraw/zinc/59/09/97/591590997.db2.gz JLRQKAPSFNDSIJ-QWRGUYRKSA-N 0 1 237.347 2.266 20 0 BEADMN COC[C@H]1C[C@@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000883319413 591613956 /nfs/dbraw/zinc/61/39/56/591613956.db2.gz AREVDSWYLYOUEF-GARJFASQSA-N 0 1 224.304 2.059 20 0 BEADMN C[C@H](C(=O)OCC1CC1)N1CCCCCC1 ZINC000131580057 591623002 /nfs/dbraw/zinc/62/30/02/591623002.db2.gz ZELSTLIMZVOZOD-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCN1CC[C@H]1CNCc1nc2ccccc2o1 ZINC000883358649 591629024 /nfs/dbraw/zinc/62/90/24/591629024.db2.gz OUHWDKMGKJDDIQ-NSHDSACASA-N 0 1 245.326 2.012 20 0 BEADMN C[C@H](CCO)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000883376125 591637235 /nfs/dbraw/zinc/63/72/35/591637235.db2.gz FOXLNNYXBLGLQG-LERXQTSPSA-N 0 1 237.318 2.373 20 0 BEADMN C[C@H](CCO)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000883376126 591637521 /nfs/dbraw/zinc/63/75/21/591637521.db2.gz FOXLNNYXBLGLQG-SWHYSGLUSA-N 0 1 237.318 2.373 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883404929 591650218 /nfs/dbraw/zinc/65/02/18/591650218.db2.gz UDPWFKSZAGMPTL-UWVGGRQHSA-N 0 1 247.285 2.218 20 0 BEADMN C[C@@H](C[N@@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)[O-] ZINC000883408504 591650928 /nfs/dbraw/zinc/65/09/28/591650928.db2.gz YPUIRLUYAWMOSY-UWVGGRQHSA-N 0 1 249.301 2.464 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(F)cc2C)no1 ZINC000132468165 591711086 /nfs/dbraw/zinc/71/10/86/591711086.db2.gz RYSLNEPWVWSIJX-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN C/C=C/COC(=O)[C@@H](C)N1CCCCCC1 ZINC000132609830 591724621 /nfs/dbraw/zinc/72/46/21/591724621.db2.gz OXCCTQZDEYDLTP-AAOUONPWSA-N 0 1 225.332 2.370 20 0 BEADMN CCN(Cc1cn(CC)nn1)C1CCCCC1 ZINC000883997843 591790296 /nfs/dbraw/zinc/79/02/96/591790296.db2.gz DIYLRKVFRHBZGX-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)N1CCN[C@H](C)C1 ZINC000884265338 591888270 /nfs/dbraw/zinc/88/82/70/591888270.db2.gz FUDWKRDRQZAHAV-DYEKYZERSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nccc(=NOC[C@H](C)CC)[nH]1 ZINC000884513343 591962437 /nfs/dbraw/zinc/96/24/37/591962437.db2.gz GTVKHPVYSBQQGK-SECBINFHSA-N 0 1 209.293 2.429 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135261731 592000163 /nfs/dbraw/zinc/00/01/63/592000163.db2.gz JNGPJWTXADFCQW-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC000884640267 592000231 /nfs/dbraw/zinc/00/02/31/592000231.db2.gz YUJXAKPELCVTTD-GGVZMXCHSA-N 0 1 249.314 2.154 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1CC1 ZINC000885258216 592060366 /nfs/dbraw/zinc/06/03/66/592060366.db2.gz GDRMUVBDVSEOKR-PRHODGIISA-N 0 1 234.299 2.029 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1CC1 ZINC000885258217 592060785 /nfs/dbraw/zinc/06/07/85/592060785.db2.gz GDRMUVBDVSEOKR-QPUJVOFHSA-N 0 1 234.299 2.029 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCC1CC1 ZINC000885260107 592061366 /nfs/dbraw/zinc/06/13/66/592061366.db2.gz OSPFMIUCMIPAOU-NOZJJQNGSA-N 0 1 248.326 2.419 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@@H]1C(C)C)C(=O)[O-] ZINC000216646419 592063422 /nfs/dbraw/zinc/06/34/22/592063422.db2.gz IXFCIXKWHOROLB-CDCCAWJDSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000136273060 592104416 /nfs/dbraw/zinc/10/44/16/592104416.db2.gz AOJWHTOZBFKGOG-ZNWQGHSCSA-N 0 1 211.305 2.280 20 0 BEADMN Cc1coc(CNC[C@@H](O)c2ccco2)c1 ZINC000885917660 592108971 /nfs/dbraw/zinc/10/89/71/592108971.db2.gz PQNJCTWQIWCWDD-LLVKDONJSA-N 0 1 221.256 2.004 20 0 BEADMN CC1(C)CN(C[C@@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000885931372 592110250 /nfs/dbraw/zinc/11/02/50/592110250.db2.gz SNGIXPLASRRMTA-QWHCGFSZSA-N 0 1 239.359 2.055 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)C[C@@](C)(O)C(F)F ZINC000885933494 592110759 /nfs/dbraw/zinc/11/07/59/592110759.db2.gz VZIVWMJACHDPQC-GFCCVEGCSA-N 0 1 247.260 2.274 20 0 BEADMN CN(Cc1ccc(F)cc1)C[C@@](C)(O)C(F)F ZINC000885933494 592110761 /nfs/dbraw/zinc/11/07/61/592110761.db2.gz VZIVWMJACHDPQC-GFCCVEGCSA-N 0 1 247.260 2.274 20 0 BEADMN CN(Cc1cccc(F)c1)C[C@@](C)(O)C(F)F ZINC000885941934 592111442 /nfs/dbraw/zinc/11/14/42/592111442.db2.gz HVTROJGNPBRGOG-GFCCVEGCSA-N 0 1 247.260 2.274 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@@H]1C[C@]12CCOC2 ZINC000885941044 592111680 /nfs/dbraw/zinc/11/16/80/592111680.db2.gz YQUQGIQGBNHZMA-IPYPFGDCSA-N 0 1 246.354 2.291 20 0 BEADMN CN(Cc1ccsc1)C[C@](C)(O)C(F)F ZINC000885940560 592111893 /nfs/dbraw/zinc/11/18/93/592111893.db2.gz MFDVVUMBYVZGSR-JTQLQIEISA-N 0 1 235.299 2.196 20 0 BEADMN C[C@@H]1COCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000885951796 592113814 /nfs/dbraw/zinc/11/38/14/592113814.db2.gz PJCKLQQCTIZEQC-RTXFEEFZSA-N 0 1 209.333 2.143 20 0 BEADMN Cc1[nH]nc(CNc2ccccc2CO)c1C ZINC000886025597 592134767 /nfs/dbraw/zinc/13/47/67/592134767.db2.gz IAIVHSRQJFRERO-UHFFFAOYSA-N 0 1 231.299 2.131 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886087510 592145416 /nfs/dbraw/zinc/14/54/16/592145416.db2.gz VKHRRNVZZDIERH-HUUCEWRRSA-N 0 1 246.354 2.471 20 0 BEADMN FC(F)(F)SCCN1CC[C@H]2C[C@H]21 ZINC000886092193 592146507 /nfs/dbraw/zinc/14/65/07/592146507.db2.gz QTQUOKQYSXJYSL-NKWVEPMBSA-N 0 1 211.252 2.334 20 0 BEADMN Cc1[nH]nc(CN[C@@H]2CCCC2(F)F)c1C ZINC000886116987 592154424 /nfs/dbraw/zinc/15/44/24/592154424.db2.gz WUBADZUIUBVZGA-SNVBAGLBSA-N 0 1 229.274 2.304 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C2CC2)C(F)(F)F)c1C ZINC000886118885 592158384 /nfs/dbraw/zinc/15/83/84/592158384.db2.gz RYVVIKRYSXORKM-JTQLQIEISA-N 0 1 247.264 2.457 20 0 BEADMN Cc1[nH]nc(CNCC(F)(F)C(F)F)c1C ZINC000886124969 592158636 /nfs/dbraw/zinc/15/86/36/592158636.db2.gz FSUBPEQSHFNMPP-UHFFFAOYSA-N 0 1 239.216 2.017 20 0 BEADMN Cc1noc([C@H](C)NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886130036 592159964 /nfs/dbraw/zinc/15/99/64/592159964.db2.gz UDMHKCKMCWXZNS-AXTRIDKLSA-N 0 1 235.331 2.465 20 0 BEADMN CO[C@@H]1CCC[C@H](NC(CF)CF)CC1 ZINC000886129621 592159990 /nfs/dbraw/zinc/15/99/90/592159990.db2.gz JVNCLEQANXKXJH-GXSJLCMTSA-N 0 1 221.291 2.231 20 0 BEADMN Cc1[nH]nc(CNc2cccc(CCO)c2)c1C ZINC000886138531 592161476 /nfs/dbraw/zinc/16/14/76/592161476.db2.gz MQSMHVGOCWPGRP-UHFFFAOYSA-N 0 1 245.326 2.173 20 0 BEADMN O=C1OCC[C@]12CCCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000886147069 592163464 /nfs/dbraw/zinc/16/34/64/592163464.db2.gz IOUSZGKQXQVULW-VNHYZAJKSA-N 0 1 249.354 2.204 20 0 BEADMN Cc1coc(CN[C@]23C[C@H]2COC3(C)C)c1 ZINC000886168735 592168634 /nfs/dbraw/zinc/16/86/34/592168634.db2.gz XWZKNXRMTSFJLH-GXFFZTMASA-N 0 1 221.300 2.245 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H](c2ccncc2)C1 ZINC000886210824 592177356 /nfs/dbraw/zinc/17/73/56/592177356.db2.gz CMWAMFAZLCQLJD-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN CC(C)N(C[C@H]1CC[C@H](C2CC2)O1)C1COC1 ZINC000886220350 592179961 /nfs/dbraw/zinc/17/99/61/592179961.db2.gz GTAUJXLUJGYLKZ-ZIAGYGMSSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1ccn(C)n1 ZINC000886243008 592183920 /nfs/dbraw/zinc/18/39/20/592183920.db2.gz LUBOEGKJWXSNBK-JKOKRWQUSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ncco1 ZINC000886272460 592192852 /nfs/dbraw/zinc/19/28/52/592192852.db2.gz QHJXOOWPASFNKM-WDEREUQCSA-N 0 1 236.315 2.427 20 0 BEADMN CN(CCSC(F)(F)F)Cc1cnc[nH]1 ZINC000886273657 592194054 /nfs/dbraw/zinc/19/40/54/592194054.db2.gz DGBAPEPAQIOFLG-UHFFFAOYSA-N 0 1 239.266 2.095 20 0 BEADMN C[C@H](NCC1(C)CCOCC1)c1ncco1 ZINC000886274108 592194160 /nfs/dbraw/zinc/19/41/60/592194160.db2.gz MMQWHDJCLUVJQB-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN COc1cccc(NCc2[nH]ncc2C)c1OC ZINC000886275999 592195404 /nfs/dbraw/zinc/19/54/04/592195404.db2.gz TUEWXGWTGHANRW-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN c1nc(CNC[C@@H]2CC3(CCC3)CO2)cs1 ZINC000886289406 592201568 /nfs/dbraw/zinc/20/15/68/592201568.db2.gz VCSZQGJGKLXCTQ-NSHDSACASA-N 0 1 238.356 2.192 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1C[C@@H]2C[C@@H]2C1 ZINC000886326895 592209560 /nfs/dbraw/zinc/20/95/60/592209560.db2.gz WAJGELJRYZTACV-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2C[C@@H]2C1 ZINC000886346261 592212994 /nfs/dbraw/zinc/21/29/94/592212994.db2.gz FDBWMYCBBGJKRJ-OUAUKWLOSA-N 0 1 225.332 2.058 20 0 BEADMN CCN1CC[N@H+](CC)C[C@@H]1Cc1ccccc1 ZINC000886381872 592222184 /nfs/dbraw/zinc/22/21/84/592222184.db2.gz WJVPUNXEAGAXBE-HNNXBMFYSA-N 0 1 232.371 2.255 20 0 BEADMN COCc1cc(CNC2(C3CC3)CCC2)no1 ZINC000886391970 592223161 /nfs/dbraw/zinc/22/31/61/592223161.db2.gz KRIOEJBIDHDMBH-UHFFFAOYSA-N 0 1 236.315 2.243 20 0 BEADMN C[C@H](Cc1ccncc1)N[C@H](C)c1ncco1 ZINC000886538661 592252521 /nfs/dbraw/zinc/25/25/21/592252521.db2.gz MADBHEDCVREKSJ-GHMZBOCLSA-N 0 1 231.299 2.351 20 0 BEADMN C[C@@H](NCC1CC(F)(F)C1)c1ncco1 ZINC000886538307 592253093 /nfs/dbraw/zinc/25/30/93/592253093.db2.gz FYXSZLFLPKMMDY-SSDOTTSWSA-N 0 1 216.231 2.371 20 0 BEADMN COC(=O)CN1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886542808 592255202 /nfs/dbraw/zinc/25/52/02/592255202.db2.gz GMRFWRGFYVXVAJ-SMDDNHRTSA-N 0 1 233.311 2.243 20 0 BEADMN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1ncc[nH]1 ZINC000886702038 592306340 /nfs/dbraw/zinc/30/63/40/592306340.db2.gz ZLVVJRGPKNGONT-GHMZBOCLSA-N 0 1 235.331 2.020 20 0 BEADMN Cc1nc(CN2CC[C@@H]([C@H]3CCCO3)C2)[nH]c1C ZINC000886815392 592335633 /nfs/dbraw/zinc/33/56/33/592335633.db2.gz CXBYJKPPNRDFJJ-CHWSQXEVSA-N 0 1 249.358 2.027 20 0 BEADMN c1csc(CN2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC000886822095 592344897 /nfs/dbraw/zinc/34/48/97/592344897.db2.gz MDKSJIKZVQWHHH-WDEREUQCSA-N 0 1 238.356 2.144 20 0 BEADMN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ncc[nH]1 ZINC000139049279 592354112 /nfs/dbraw/zinc/35/41/12/592354112.db2.gz SUJQWFHDHWAXPB-TVQRCGJNSA-N 0 1 242.326 2.330 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)N(C)CCCF ZINC000887137397 592451864 /nfs/dbraw/zinc/45/18/64/592451864.db2.gz GNOFDSWJRCEERZ-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN CCCCC[C@@H](C)NC(=O)CN(C)CCCF ZINC000887136130 592451951 /nfs/dbraw/zinc/45/19/51/592451951.db2.gz KOLWQZCNZOYAIM-GFCCVEGCSA-N 0 1 246.370 2.363 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)N(C)CCCF ZINC000887137398 592451981 /nfs/dbraw/zinc/45/19/81/592451981.db2.gz GNOFDSWJRCEERZ-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN COC(=O)c1oc(CN(C)CCCF)cc1C ZINC000887137962 592452686 /nfs/dbraw/zinc/45/26/86/592452686.db2.gz ZJYXAUMHAMMZHM-UHFFFAOYSA-N 0 1 243.278 2.166 20 0 BEADMN CN(CCCF)Cc1cncc(F)c1 ZINC000887141008 592455701 /nfs/dbraw/zinc/45/57/01/592455701.db2.gz BAONKXGSOXDDER-UHFFFAOYSA-N 0 1 200.232 2.012 20 0 BEADMN Cc1nnc([C@H](C)NC2(C3CC3)CCC2)o1 ZINC000887146394 592459180 /nfs/dbraw/zinc/45/91/80/592459180.db2.gz UVNRRWVOPXSZEA-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN CC(C)(CNC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC000887379209 592498694 /nfs/dbraw/zinc/49/86/94/592498694.db2.gz JVNNNMZVPYOPMP-UHFFFAOYSA-N 0 1 247.342 2.064 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCC(C)(C)C1CC1 ZINC000887378164 592498865 /nfs/dbraw/zinc/49/88/65/592498865.db2.gz UNVPHNZHXIAEQP-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCN[C@H](C)c1nc(-c2coc(C)n2)no1 ZINC000302574600 592549678 /nfs/dbraw/zinc/54/96/78/592549678.db2.gz PZPUBSMRFSJQMY-SSDOTTSWSA-N 0 1 236.275 2.094 20 0 BEADMN Cc1cccc(C)c1CN(C)C(=O)[C@@H](C)N(C)C ZINC000887956193 592562974 /nfs/dbraw/zinc/56/29/74/592562974.db2.gz DRHGZLPRQKPGQJ-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H]2C2CCCC2)n[nH]1 ZINC000889397181 592607741 /nfs/dbraw/zinc/60/77/41/592607741.db2.gz WYVPNHBFLZLLRX-CYBMUJFWSA-N 0 1 247.342 2.377 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1(C2CC2)CC1 ZINC000889506928 592615846 /nfs/dbraw/zinc/61/58/46/592615846.db2.gz SOAJJNDEHCJYOU-UHFFFAOYSA-N 0 1 242.282 2.087 20 0 BEADMN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cccc(F)c1O ZINC000889579299 592620866 /nfs/dbraw/zinc/62/08/66/592620866.db2.gz WTWHIXZVCPUBTD-HOTUBEGUSA-N 0 1 249.285 2.450 20 0 BEADMN C[C@H](C[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000251926616 601504711 /nfs/dbraw/zinc/50/47/11/601504711.db2.gz YIYYVXYMMOAFGU-MBNYWOFBSA-N 0 1 247.338 2.443 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000082791631 597056198 /nfs/dbraw/zinc/05/61/98/597056198.db2.gz RDMRBGFOUGFXBP-UWVGGRQHSA-N 0 1 219.284 2.079 20 0 BEADMN C[C@H](C[N@@H+](C)CCCC(=O)[O-])c1nccs1 ZINC000309601150 597815847 /nfs/dbraw/zinc/81/58/47/597815847.db2.gz KBYSIEGIDWAIHL-SECBINFHSA-N 0 1 242.344 2.043 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000086756372 598131794 /nfs/dbraw/zinc/13/17/94/598131794.db2.gz UPLOEHKJWIGFMA-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000054299887 598151743 /nfs/dbraw/zinc/15/17/43/598151743.db2.gz NODOFUNKJIJVMD-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)[C@@H]([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000035391479 598188641 /nfs/dbraw/zinc/18/86/41/598188641.db2.gz NSHMAUWGHTXADQ-GFCCVEGCSA-N 0 1 248.282 2.027 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000037914312 599772401 /nfs/dbraw/zinc/77/24/01/599772401.db2.gz BZFZMLKZHLLLGU-JTQLQIEISA-N 0 1 223.272 2.352 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000707103858 599964563 /nfs/dbraw/zinc/96/45/63/599964563.db2.gz XLQBYHKITJFRCP-LLVKDONJSA-N 0 1 235.283 2.352 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)CC(C)(C)C ZINC000045074556 599994486 /nfs/dbraw/zinc/99/44/86/599994486.db2.gz VJKRUPYQBOGWTM-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(F)cc1 ZINC000032014939 600223139 /nfs/dbraw/zinc/22/31/39/600223139.db2.gz WJJHYQZKWXEUFC-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CC(C)C[N@@H+](CCCC(=O)[O-])C(C)C ZINC000037654550 600226856 /nfs/dbraw/zinc/22/68/56/600226856.db2.gz JGUCVKMDTVVRSJ-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCc1ccccc1F ZINC000258885433 600231236 /nfs/dbraw/zinc/23/12/36/600231236.db2.gz MLTHLOBEZGJNOH-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN CCS[C@H]1CCCC[N@@H+](CCC(=O)[O-])C1 ZINC000236905526 600434080 /nfs/dbraw/zinc/43/40/80/600434080.db2.gz HBGNNPGFBBXIOY-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000393867419 600809519 /nfs/dbraw/zinc/80/95/19/600809519.db2.gz QRKUTGUIXBTKFZ-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)[O-])o1 ZINC000818885378 600857412 /nfs/dbraw/zinc/85/74/12/600857412.db2.gz SBKKEYLYUFYBMS-MWLCHTKSSA-N 0 1 237.299 2.446 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)[O-])[C@H](c2ccco2)C1 ZINC000309751819 600861950 /nfs/dbraw/zinc/86/19/50/600861950.db2.gz KRVXPBAFNKBUGT-ZJUUUORDSA-N 0 1 223.272 2.137 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccccc1F)C(=O)[O-] ZINC000214654649 601051756 /nfs/dbraw/zinc/05/17/56/601051756.db2.gz ZWYDOYSJYFRNMP-JXMROGBWSA-N 0 1 237.274 2.288 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@H]1C ZINC000308858140 601116693 /nfs/dbraw/zinc/11/66/93/601116693.db2.gz QPGHFDKXDSYSKT-RKDXNWHRSA-N 0 1 205.257 2.036 20 0 BEADMN C[N@@H+](Cc1ccncc1Cl)C(C)(C)C(=O)[O-] ZINC000084085769 601114206 /nfs/dbraw/zinc/11/42/06/601114206.db2.gz UFNGATVEFIHESG-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)c1ccco1)C(=O)[O-] ZINC000706341829 601159501 /nfs/dbraw/zinc/15/95/01/601159501.db2.gz MFODKOVVYCHVIG-ZKXNXJMVSA-N 0 1 223.272 2.303 20 0 BEADMN CC[N@H+](C/C=C(\C)C(=O)[O-])CCC(F)(F)F ZINC000689180636 601159478 /nfs/dbraw/zinc/15/94/78/601159478.db2.gz MQLLAHZRCJRHQO-XBXARRHUSA-N 0 1 239.237 2.292 20 0 BEADMN CC[N@H+](C/C=C(/C)C(=O)[O-])CCC(F)(F)F ZINC000689180637 601159481 /nfs/dbraw/zinc/15/94/81/601159481.db2.gz MQLLAHZRCJRHQO-YWEYNIOJSA-N 0 1 239.237 2.292 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)c1ccco1)C(=O)[O-] ZINC000706341827 601159493 /nfs/dbraw/zinc/15/94/93/601159493.db2.gz MFODKOVVYCHVIG-MBACFSSFSA-N 0 1 223.272 2.303 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccoc1 ZINC000688585086 601161757 /nfs/dbraw/zinc/16/17/57/601161757.db2.gz CDJJKQWHZWKUNC-ONNFQVAWSA-N 0 1 223.272 2.132 20 0 BEADMN C/C(=C\C[N@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000084003139 601166048 /nfs/dbraw/zinc/16/60/48/601166048.db2.gz WQWAYPUIJYFZMG-BJMVGYQFSA-N 0 1 211.305 2.139 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@@H](C)C(C)C ZINC000706665095 601167460 /nfs/dbraw/zinc/16/74/60/601167460.db2.gz GCHMAUOSAHYOOO-BRNRAETOSA-N 0 1 213.321 2.384 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@@H](C)C(C)C ZINC000706665097 601167626 /nfs/dbraw/zinc/16/76/26/601167626.db2.gz GCHMAUOSAHYOOO-HUYFXPKMSA-N 0 1 213.321 2.384 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000308755484 601169268 /nfs/dbraw/zinc/16/92/68/601169268.db2.gz RLKJAOKFSCSONY-NAZIUFLLSA-N 0 1 231.361 2.091 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@H](CC(C)C)C1)C(=O)[O-] ZINC000307825882 601179755 /nfs/dbraw/zinc/17/97/55/601179755.db2.gz WCEMYUNFGZGEJF-KBVBDRTLSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000399534498 601180133 /nfs/dbraw/zinc/18/01/33/601180133.db2.gz OGWIBJJEOMYPTK-QEBWYVITSA-N 0 1 211.305 2.138 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)[O-] ZINC000236937961 601382271 /nfs/dbraw/zinc/38/22/71/601382271.db2.gz BPPLFUWGKHIZRE-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)oc1C(=O)[O-] ZINC000092086002 601428608 /nfs/dbraw/zinc/42/86/08/601428608.db2.gz AHUQXFDIIKVCCG-AOOOYVTPSA-N 0 1 237.299 2.374 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H]1C ZINC000380602204 601450929 /nfs/dbraw/zinc/45/09/29/601450929.db2.gz XIQFJGFKBUQFAL-GMTAPVOTSA-N 0 1 213.321 2.360 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000160593503 601496447 /nfs/dbraw/zinc/49/64/47/601496447.db2.gz QYZPCFQXENISOX-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000160593443 601496786 /nfs/dbraw/zinc/49/67/86/601496786.db2.gz QYZPCFQXENISOX-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000238164325 601498480 /nfs/dbraw/zinc/49/84/80/601498480.db2.gz QSYCYUUSQLYNLG-NSHDSACASA-N 0 1 237.274 2.090 20 0 BEADMN CCCCCC[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223801299 601530319 /nfs/dbraw/zinc/53/03/19/601530319.db2.gz HVCOLOLJUWEWKA-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000251755274 601808561 /nfs/dbraw/zinc/80/85/61/601808561.db2.gz HFSOJSGTFOSBLB-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000085611610 601890010 /nfs/dbraw/zinc/89/00/10/601890010.db2.gz NRJONXWZWHMDQY-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739453325 601923938 /nfs/dbraw/zinc/92/39/38/601923938.db2.gz FTHBEPVENVZDAO-GHMZBOCLSA-N 0 1 226.320 2.003 20 0 BEADMN CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739364813 601925774 /nfs/dbraw/zinc/92/57/74/601925774.db2.gz NQNADGPEQHEMPG-VXGBXAGGSA-N 0 1 240.347 2.393 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000706965677 602207074 /nfs/dbraw/zinc/20/70/74/602207074.db2.gz NVAKNLQYKRDUML-AGIUHOORSA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CCC3)C2)o1 ZINC000380388355 602238750 /nfs/dbraw/zinc/23/87/50/602238750.db2.gz WOVCIRIZMQFYBJ-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000738764275 602254578 /nfs/dbraw/zinc/25/45/78/602254578.db2.gz DSJFGVPQTZVUOF-LLVKDONJSA-N 0 1 242.363 2.353 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000739014122 602275606 /nfs/dbraw/zinc/27/56/06/602275606.db2.gz ZMVFGUMLIMAQIZ-ROSDIQCESA-N 0 1 246.738 2.250 20 0 BEADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000739665087 602541831 /nfs/dbraw/zinc/54/18/31/602541831.db2.gz KEXZXSUIKQTYHR-ZDUSSCGKSA-N 0 1 248.326 2.118 20 0 BEADMN CCCC[N@@H+](CCC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739332577 602547603 /nfs/dbraw/zinc/54/76/03/602547603.db2.gz HUDVIRRIWFCZGJ-NSHDSACASA-N 0 1 228.336 2.251 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739237889 602554844 /nfs/dbraw/zinc/55/48/44/602554844.db2.gz PETOVZYEMQOLRS-NEPJUHHUSA-N 0 1 242.363 2.354 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000740635944 602679178 /nfs/dbraw/zinc/67/91/78/602679178.db2.gz VYIVMSOPZOSAPB-NWDGAFQWSA-N 0 1 238.331 2.075 20 0 BEADMN CC(C)[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738835525 602702105 /nfs/dbraw/zinc/70/21/05/602702105.db2.gz AVCCPCADKFZBHD-NSHDSACASA-N 0 1 240.347 2.249 20 0 BEADMN CC[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)C(C)C ZINC000739414745 602704421 /nfs/dbraw/zinc/70/44/21/602704421.db2.gz OJITTZRDVZROOE-LLVKDONJSA-N 0 1 228.336 2.107 20 0 BEADMN CCC[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000739358947 602705475 /nfs/dbraw/zinc/70/54/75/602705475.db2.gz SLMSVUNGRPVSPJ-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CN(C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)C(=O)[O-] ZINC000739667018 602737660 /nfs/dbraw/zinc/73/76/60/602737660.db2.gz WZHSHAFMDZRXNX-NSHDSACASA-N 0 1 242.363 2.354 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739175708 602772221 /nfs/dbraw/zinc/77/22/21/602772221.db2.gz KMCQYFCWFFSDPT-GRYCIOLGSA-N 0 1 238.331 2.073 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000739081126 602800775 /nfs/dbraw/zinc/80/07/75/602800775.db2.gz PXRUKJHYLPAFCT-WDEREUQCSA-N 0 1 240.347 2.107 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739327731 603021176 /nfs/dbraw/zinc/02/11/76/603021176.db2.gz ABDLCGPWHLOWLS-LLVKDONJSA-N 0 1 228.336 2.251 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739330931 603021912 /nfs/dbraw/zinc/02/19/12/603021912.db2.gz PTFHKAHDPZHLHW-NSHDSACASA-N 0 1 228.336 2.156 20 0 BEADMN CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000739330126 603022388 /nfs/dbraw/zinc/02/23/88/603022388.db2.gz LACLRCGXORSXRW-LLVKDONJSA-N 0 1 228.336 2.299 20 0 BEADMN CCC[N@@H+](CCNC(=O)[O-])Cc1ccccc1 ZINC000739357419 603080909 /nfs/dbraw/zinc/08/09/09/603080909.db2.gz RDNBLHMVWANUEN-UHFFFAOYSA-N 0 1 236.315 2.166 20 0 BEADMN CC[N@@H+](CCNC(=O)[O-])Cc1ccccc1C ZINC000739434367 603082912 /nfs/dbraw/zinc/08/29/12/603082912.db2.gz WPYQQIXWORYQKD-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN C[N@H+](C/C=C\c1ccccc1)CCCNC(=O)[O-] ZINC000739663514 603251910 /nfs/dbraw/zinc/25/19/10/603251910.db2.gz HSJYGSRURVLDES-UITAMQMPSA-N 0 1 248.326 2.289 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000738944091 603323794 /nfs/dbraw/zinc/32/37/94/603323794.db2.gz ISGBVVNJRWFVGK-QWRGUYRKSA-N 0 1 242.363 2.353 20 0 BEADMN CC[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739263112 603324543 /nfs/dbraw/zinc/32/45/43/603324543.db2.gz AFYVISFGUUAWLQ-RYUDHWBXSA-N 0 1 240.347 2.108 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739220659 603345249 /nfs/dbraw/zinc/34/52/49/603345249.db2.gz WUTHDWKXYXSHEV-JTQLQIEISA-N 0 1 228.336 2.107 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739112548 603329731 /nfs/dbraw/zinc/32/97/31/603329731.db2.gz SFPQFXICRZUWPJ-VXGBXAGGSA-N 0 1 240.347 2.108 20 0 BEADMN Cc1ccc(C[N@H+]2CCN(C(=O)[O-])[C@H](C)C2)cc1 ZINC000740126017 603357537 /nfs/dbraw/zinc/35/75/37/603357537.db2.gz HGBFULQCSHRKDH-GFCCVEGCSA-N 0 1 248.326 2.179 20 0 BEADMN CN(C[C@@H]1CCC[N@@H+](CC2CCC2)C1)C(=O)[O-] ZINC000828180024 604039401 /nfs/dbraw/zinc/03/94/01/604039401.db2.gz GPIMHEBFUDADBD-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN CC1=CC[N@@H+](Cc2ccccc2CC(=O)[O-])CC1 ZINC000382482046 604616655 /nfs/dbraw/zinc/61/66/55/604616655.db2.gz PWQZTNZEPPXVHN-UHFFFAOYSA-N 0 1 245.322 2.466 20 0 BEADMN C[C@H](CC(=O)[O-])SCC[C@@H]1CCC[N@H+]1C ZINC000707954288 604630254 /nfs/dbraw/zinc/63/02/54/604630254.db2.gz PTSNWQQIDFTZMI-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@H](CC(=O)[O-])SCC[C@H]1CCC[N@H+]1C ZINC000707954285 604630264 /nfs/dbraw/zinc/63/02/64/604630264.db2.gz PTSNWQQIDFTZMI-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(O)c1 ZINC000086748172 604642759 /nfs/dbraw/zinc/64/27/59/604642759.db2.gz MHJCXWQIFXOSJI-UHFFFAOYSA-N 0 1 237.299 2.077 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C/C=C\Cl ZINC000252520455 604670327 /nfs/dbraw/zinc/67/03/27/604670327.db2.gz PZBOHUYMSJEYRA-CVTGDMETSA-N 0 1 243.734 2.457 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000083409872 604787843 /nfs/dbraw/zinc/78/78/43/604787843.db2.gz IRPAZOXNTMNWKT-DCAQKATOSA-N 0 1 213.321 2.074 20 0 BEADMN C[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000084347377 604841136 /nfs/dbraw/zinc/84/11/36/604841136.db2.gz DOWHRSLPVREDOQ-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000084347375 604841202 /nfs/dbraw/zinc/84/12/02/604841202.db2.gz DOWHRSLPVREDOQ-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)[O-] ZINC000309677042 605699415 /nfs/dbraw/zinc/69/94/15/605699415.db2.gz MBYAZCJOTVSNQV-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1[nH+]ccn1Cc1cccc(NC(=O)[O-])c1 ZINC000833917559 606082779 /nfs/dbraw/zinc/08/27/79/606082779.db2.gz IKWVZKVEVDDZOH-UHFFFAOYSA-N 0 1 231.255 2.330 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825234391 608532123 /nfs/dbraw/zinc/53/21/23/608532123.db2.gz ZNZJOEKRNRAFBJ-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN CCC[C@@H](C)[N@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825234391 608532129 /nfs/dbraw/zinc/53/21/29/608532129.db2.gz ZNZJOEKRNRAFBJ-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825234391 608532130 /nfs/dbraw/zinc/53/21/30/608532130.db2.gz ZNZJOEKRNRAFBJ-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN COCc1ccc(CN2CC=CC2)s1 ZINC001139823978 991380007 /nfs/dbraw/zinc/38/00/07/991380007.db2.gz LCMFLOYFHVSJGY-UHFFFAOYSA-N 0 1 209.314 2.266 20 0 BEADMN CCN(CC1CC1)c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000124283579 634408946 /nfs/dbraw/zinc/40/89/46/634408946.db2.gz VNBYDFYVQYRVQA-UHFFFAOYSA-N 0 1 234.299 2.325 20 0 BEADMN CC1(C)COC[C@H]1NC/C(Cl)=C\Cl ZINC000313035935 634441280 /nfs/dbraw/zinc/44/12/80/634441280.db2.gz MGZWZGBYLNPQGT-HOOMWESVSA-N 0 1 224.131 2.320 20 0 BEADMN CCOC(CN[C@H](C)c1ccccn1)OCC ZINC000093446868 634540578 /nfs/dbraw/zinc/54/05/78/634540578.db2.gz MOEJIYRTDQDKSZ-LLVKDONJSA-N 0 1 238.331 2.131 20 0 BEADMN CCOC(CN[C@@H](C)c1cccnc1)OCC ZINC000093447115 634541489 /nfs/dbraw/zinc/54/14/89/634541489.db2.gz AOQRJSONFGIRHT-NSHDSACASA-N 0 1 238.331 2.131 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])o1 ZINC000229220047 635468248 /nfs/dbraw/zinc/46/82/48/635468248.db2.gz CFSGUABBXYOBKM-WCFLWFBJSA-N 0 1 249.310 2.273 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000233336806 635532293 /nfs/dbraw/zinc/53/22/93/635532293.db2.gz SEEMATQNNIPVQU-JTQLQIEISA-N 0 1 236.315 2.400 20 0 BEADMN CC[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CC1 ZINC000233460772 635534297 /nfs/dbraw/zinc/53/42/97/635534297.db2.gz BRXYEBYTYDJMLB-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000234132634 635549503 /nfs/dbraw/zinc/54/95/03/635549503.db2.gz YLJMFYRDAGGBHA-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@@H]1CNOC1 ZINC000925863982 635563981 /nfs/dbraw/zinc/56/39/81/635563981.db2.gz CHQRRQUKFKQPDD-LOWVWBTDSA-N 0 1 232.327 2.036 20 0 BEADMN C[C@H]1CC[C@@H](N[C@H]2CNOC2)c2sccc21 ZINC000925866695 635568036 /nfs/dbraw/zinc/56/80/36/635568036.db2.gz OHVTYGMTHGDGDZ-ATZCPNFKSA-N 0 1 238.356 2.180 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235322150 635571766 /nfs/dbraw/zinc/57/17/66/635571766.db2.gz GPBDHFQWQYLMHT-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@@](C)(C[N@H+]1CCCCC[C@@H]1C(=O)[O-])OC ZINC000319418763 635620918 /nfs/dbraw/zinc/62/09/18/635620918.db2.gz IAXQWGVGUIFDFI-YPMHNXCESA-N 0 1 243.347 2.131 20 0 BEADMN COC[C@@H]1COCCN1Cc1c(C)cccc1C ZINC000933337246 631282778 /nfs/dbraw/zinc/28/27/78/631282778.db2.gz SOVYONMZIYFDAP-CQSZACIVSA-N 0 1 249.354 2.151 20 0 BEADMN Cc1cc(N)nc(N2CCCCCCC2)n1 ZINC000891442810 631303115 /nfs/dbraw/zinc/30/31/15/631303115.db2.gz VEWHQDDRXKKEIG-UHFFFAOYSA-N 0 1 220.320 2.138 20 0 BEADMN Cc1oc(C(C)(C)C)cc1CN(C)CCO ZINC000891443750 631304187 /nfs/dbraw/zinc/30/41/87/631304187.db2.gz AHCMTLBHFBCGGV-UHFFFAOYSA-N 0 1 225.332 2.310 20 0 BEADMN COC1CCN(Cc2cnc(F)cc2C)CC1 ZINC000891536949 631385680 /nfs/dbraw/zinc/38/56/80/631385680.db2.gz PHACPODGFYYOQX-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN COCCN(C)Cc1nccc2c1CCCC2 ZINC000891573707 631397152 /nfs/dbraw/zinc/39/71/52/631397152.db2.gz ITXDJBQYBGXARV-UHFFFAOYSA-N 0 1 234.343 2.039 20 0 BEADMN c1cc2c(c(CN3CCSCC3)c1)OCC2 ZINC000891572223 631397298 /nfs/dbraw/zinc/39/72/98/631397298.db2.gz RYYWBHSEXXEUEB-UHFFFAOYSA-N 0 1 235.352 2.170 20 0 BEADMN C[N@@H+](Cc1ccnn1C1CCC1)C1CC1 ZINC000891619985 631413634 /nfs/dbraw/zinc/41/36/34/631413634.db2.gz LPKUHHCPUZRCID-UHFFFAOYSA-N 0 1 205.305 2.202 20 0 BEADMN CN(Cc1ccnn1C1CCC1)C1CC1 ZINC000891619985 631413636 /nfs/dbraw/zinc/41/36/36/631413636.db2.gz LPKUHHCPUZRCID-UHFFFAOYSA-N 0 1 205.305 2.202 20 0 BEADMN CC(C)S(=O)(=O)CC[N@@H+](C)C1CCCCC1 ZINC000178207772 631419856 /nfs/dbraw/zinc/41/98/56/631419856.db2.gz ZWGOQAVTHGUZDI-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN CC(C)S(=O)(=O)CCN(C)C1CCCCC1 ZINC000178207772 631419862 /nfs/dbraw/zinc/41/98/62/631419862.db2.gz ZWGOQAVTHGUZDI-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CCCCCC1 ZINC000083403892 631425536 /nfs/dbraw/zinc/42/55/36/631425536.db2.gz TXHMJBDBIOTLCR-LLVKDONJSA-N 0 1 211.305 2.258 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000308562857 631432067 /nfs/dbraw/zinc/43/20/67/631432067.db2.gz XCSISJWGLNUOGO-SECBINFHSA-N 0 1 201.310 2.075 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc(F)c2O)C[C@@H]1C ZINC000933816734 631517867 /nfs/dbraw/zinc/51/78/67/631517867.db2.gz NAKRMPOXWDGAPL-IUCAKERBSA-N 0 1 237.274 2.259 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000308740878 631557951 /nfs/dbraw/zinc/55/79/51/631557951.db2.gz AOJWHTOZBFKGOG-RZABIFLQSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@H](N[C@@H](CCO)C1CCCC1)c1ncccn1 ZINC000934013316 631592550 /nfs/dbraw/zinc/59/25/50/631592550.db2.gz APEZYTANKHITBY-AAEUAGOBSA-N 0 1 249.358 2.068 20 0 BEADMN CC[C@H](OCC[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934014181 631595534 /nfs/dbraw/zinc/59/55/34/631595534.db2.gz ZLNCTPDYEATWMD-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@H](OCCN1CC[C@H]1CO)c1ccccc1 ZINC000934014181 631595542 /nfs/dbraw/zinc/59/55/42/631595542.db2.gz ZLNCTPDYEATWMD-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CC1CC(NC(=O)c2cc(F)cc(F)c2O)C1 ZINC000934024821 631601144 /nfs/dbraw/zinc/60/11/44/631601144.db2.gz AVAQRNKRZDERCX-UHFFFAOYSA-N 0 1 241.237 2.199 20 0 BEADMN OC[C@H]1CCN1C/C=C/c1ccc(Cl)cc1 ZINC000934015308 631608844 /nfs/dbraw/zinc/60/88/44/631608844.db2.gz WGCRFASAAPSDJK-ZIYVKSGCSA-N 0 1 237.730 2.420 20 0 BEADMN Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]2CO)c1 ZINC000934028977 631627663 /nfs/dbraw/zinc/62/76/63/631627663.db2.gz QPLNSTLWHYAYKD-AWEZNQCLSA-N 0 1 249.354 2.139 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1(SC)CCC1 ZINC000308831465 631677703 /nfs/dbraw/zinc/67/77/03/631677703.db2.gz UEWNRYCPQOGGLQ-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CO[C@H](CNCc1cccs1)C(F)(F)F ZINC000308970296 631773224 /nfs/dbraw/zinc/77/32/24/631773224.db2.gz YTUYNHSJEYXDKK-MRVPVSSYSA-N 0 1 239.262 2.415 20 0 BEADMN CCCCOC(=O)CN(CC)[C@@H](C)CC ZINC000043447844 631793191 /nfs/dbraw/zinc/79/31/91/631793191.db2.gz LAZLVMMGLSPKLB-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCCOC(=O)CN(C)C(C1CC1)C1CC1 ZINC000051558051 631805057 /nfs/dbraw/zinc/80/50/57/631805057.db2.gz RESQENAZSSOQHW-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CCc1nnc(CN[C@H]2CCS[C@H]2C)s1 ZINC000309033686 631807421 /nfs/dbraw/zinc/80/74/21/631807421.db2.gz GSOJIHMFIDACRQ-YUMQZZPRSA-N 0 1 243.401 2.084 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cccc(C)n2)no1 ZINC000110476110 631829009 /nfs/dbraw/zinc/82/90/09/631829009.db2.gz PAGSZSWZRRGGCQ-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN CCCCOC(=O)CN(CC)CC(C)C ZINC000046064917 631843583 /nfs/dbraw/zinc/84/35/83/631843583.db2.gz ZAUIWTVMEIBJMZ-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1cnccc1CN1CCOC[C@@]1(C)C1CC1 ZINC000934474792 631869673 /nfs/dbraw/zinc/86/96/73/631869673.db2.gz HWRJFGGLAXBAEH-HNNXBMFYSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@@]1(C2CC2)COCCN1CCc1ccccn1 ZINC000934475913 631871959 /nfs/dbraw/zinc/87/19/59/631871959.db2.gz QMHHUOYLHFXADG-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000309156748 631914445 /nfs/dbraw/zinc/91/44/45/631914445.db2.gz BBCLJAGTBLOSGM-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934565240 631929391 /nfs/dbraw/zinc/92/93/91/631929391.db2.gz KSVAKNATPIYCDZ-ZIAGYGMSSA-N 0 1 237.318 2.208 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C[C@H]1F ZINC000934571107 631942321 /nfs/dbraw/zinc/94/23/21/631942321.db2.gz OUJGXPUDFOZEDW-NWANDNLSSA-N 0 1 249.329 2.121 20 0 BEADMN CCn1ccnc1CN[C@H](C)Cc1ccco1 ZINC000051922157 632012603 /nfs/dbraw/zinc/01/26/03/632012603.db2.gz KJNOKVUOJKDAOY-LLVKDONJSA-N 0 1 233.315 2.217 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H]1CCCSC1 ZINC000926432782 632020839 /nfs/dbraw/zinc/02/08/39/632020839.db2.gz XAMYVSVATDWHLN-PSASIEDQSA-N 0 1 241.360 2.172 20 0 BEADMN CC(C)C[C@H](O)CNCc1c(F)cccc1F ZINC000224266743 632021566 /nfs/dbraw/zinc/02/15/66/632021566.db2.gz PMFUNDAJQXXCAP-JTQLQIEISA-N 0 1 243.297 2.461 20 0 BEADMN Cn1cnnc1CNC1(C2CCCCC2)CC1 ZINC000934787622 632073879 /nfs/dbraw/zinc/07/38/79/632073879.db2.gz KKCRWFBAEHZHDY-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN Cn1c(Cl)cnc1CN[C@H]1CC12CCCC2 ZINC000309473712 632101646 /nfs/dbraw/zinc/10/16/46/632101646.db2.gz BIUVKFOHLXCLFW-VIFPVBQESA-N 0 1 239.750 2.496 20 0 BEADMN C[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)C=CCC1 ZINC000934896846 632129812 /nfs/dbraw/zinc/12/98/12/632129812.db2.gz CSNNKPLXHUHVCW-RISCZKNCSA-N 0 1 245.326 2.260 20 0 BEADMN C[C@@H](C1CC1)n1nccc1NCc1cnc[nH]1 ZINC000894218483 635753490 /nfs/dbraw/zinc/75/34/90/635753490.db2.gz CVMJZILZGOUBFH-VIFPVBQESA-N 0 1 231.303 2.189 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)nn1 ZINC000157780661 632448064 /nfs/dbraw/zinc/44/80/64/632448064.db2.gz RKRLGNFCFWXNHD-DTWKUNHWSA-N 0 1 225.723 2.360 20 0 BEADMN O=C(c1cc(F)cc(F)c1O)N1CC=CCC1 ZINC000935282293 632582467 /nfs/dbraw/zinc/58/24/67/632582467.db2.gz ZILXVPQLZSFRRN-UHFFFAOYSA-N 0 1 239.221 2.073 20 0 BEADMN C[C@@H](NC[C@H]1C[C@@H](C)O[C@H]1C)c1ncco1 ZINC000926584331 632591399 /nfs/dbraw/zinc/59/13/99/632591399.db2.gz LFMOFRJEEDEFAY-CHWFTXMASA-N 0 1 224.304 2.139 20 0 BEADMN C[C@H](NC[C@H]1C[C@@H](C)O[C@H]1C)c1ncco1 ZINC000926584334 632592193 /nfs/dbraw/zinc/59/21/93/632592193.db2.gz LFMOFRJEEDEFAY-VPOLOUISSA-N 0 1 224.304 2.139 20 0 BEADMN CCc1nnc(CN[C@H]2CCS[C@@H]2C)s1 ZINC000309033685 632618259 /nfs/dbraw/zinc/61/82/59/632618259.db2.gz GSOJIHMFIDACRQ-SFYZADRCSA-N 0 1 243.401 2.084 20 0 BEADMN CC[C@H]1CC(=O)N(CN(CC(C)C)C2CC2)C1 ZINC000176936224 632643523 /nfs/dbraw/zinc/64/35/23/632643523.db2.gz WRFMSNJFSQYYBL-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)n1cc([C@H](C)N[C@H]2CC23CC3)nn1 ZINC000926614157 632684610 /nfs/dbraw/zinc/68/46/10/632684610.db2.gz HRZYQONSWTYXIZ-ONGXEEELSA-N 0 1 220.320 2.062 20 0 BEADMN CCCS(=O)(=O)CCN(CC)C[C@@H](C)CC ZINC000177063383 632715783 /nfs/dbraw/zinc/71/57/83/632715783.db2.gz LCCRGMHWPMVZOF-LBPRGKRZSA-N 0 1 249.420 2.179 20 0 BEADMN CCC[C@@H]1CCCCN1CCS(=O)(=O)CC ZINC000179520931 632740892 /nfs/dbraw/zinc/74/08/92/632740892.db2.gz UNUUYMQKBLNJHI-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccccc1)c1cnnn1C ZINC000924540767 632787333 /nfs/dbraw/zinc/78/73/33/632787333.db2.gz GOHPCYHNDMBTKO-WDEREUQCSA-N 0 1 230.315 2.227 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@@H](C)C1(C)CC1 ZINC000177232413 632788487 /nfs/dbraw/zinc/78/84/87/632788487.db2.gz AFGZWFKUDMMVAB-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H](NC[C@H]1CCN1C(C)(C)C)c1ncco1 ZINC000926670894 632799348 /nfs/dbraw/zinc/79/93/48/632799348.db2.gz GJKIXTAEYRJTQD-WDEREUQCSA-N 0 1 237.347 2.198 20 0 BEADMN CCc1noc([C@@H]2CCCN2C(C)C)n1 ZINC000923778463 632805381 /nfs/dbraw/zinc/80/53/81/632805381.db2.gz ZYDOWRBUUXNZEL-VIFPVBQESA-N 0 1 209.293 2.177 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235678549 632813587 /nfs/dbraw/zinc/81/35/87/632813587.db2.gz WQYRONPSNOCNPA-PHIMTYICSA-N 0 1 248.326 2.258 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@]1(C)CC1(F)F ZINC000926704479 632844639 /nfs/dbraw/zinc/84/46/39/632844639.db2.gz SNGWKMRWTVBGCQ-GMSGAONNSA-N 0 1 245.273 2.464 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)Nc1c[nH]nn1 ZINC000935596486 632848637 /nfs/dbraw/zinc/84/86/37/632848637.db2.gz KJBZYGUQQIQKIH-MRVPVSSYSA-N 0 1 224.308 2.206 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000935597843 632851649 /nfs/dbraw/zinc/85/16/49/632851649.db2.gz OSILAEZBUGRMDM-GMTAPVOTSA-N 0 1 248.330 2.350 20 0 BEADMN Cc1nc(CN[C@]2(C)CCCOC2)sc1C ZINC000235943267 632856025 /nfs/dbraw/zinc/85/60/25/632856025.db2.gz YIAOCHONFUEAKY-GFCCVEGCSA-N 0 1 240.372 2.419 20 0 BEADMN C[C@H](CCc1ccco1)N[C@H](C)c1cnn(C)n1 ZINC000924563742 632876763 /nfs/dbraw/zinc/87/67/63/632876763.db2.gz NUPWKHQDBXTOEP-GHMZBOCLSA-N 0 1 248.330 2.080 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926725672 632882313 /nfs/dbraw/zinc/88/23/13/632882313.db2.gz AJQSESQJWWAZBW-SUHUHFCYSA-N 0 1 249.358 2.047 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(C)CCC2)n1 ZINC000309319060 632928755 /nfs/dbraw/zinc/92/87/55/632928755.db2.gz ZUZYPIOVEXBSRV-MRVPVSSYSA-N 0 1 209.293 2.167 20 0 BEADMN CC(C)c1cnc(CN[C@H](CO)C2CC2)s1 ZINC000309348324 632958778 /nfs/dbraw/zinc/95/87/78/632958778.db2.gz MFNAONYVUACDFJ-SNVBAGLBSA-N 0 1 240.372 2.127 20 0 BEADMN CC[C@H]1CCCCN1CCS(=O)(=O)C(C)C ZINC000178207696 633002176 /nfs/dbraw/zinc/00/21/76/633002176.db2.gz VTIUUXWAPDRBGB-LBPRGKRZSA-N 0 1 247.404 2.074 20 0 BEADMN CCNCc1nc(-c2ccc3c(c2)CCC3)no1 ZINC000310839872 633003464 /nfs/dbraw/zinc/00/34/64/633003464.db2.gz MALHWENDKPUQPR-UHFFFAOYSA-N 0 1 243.310 2.335 20 0 BEADMN CC(C)OC[C@@H](C)NCc1cccc(F)n1 ZINC000309405910 633022036 /nfs/dbraw/zinc/02/20/36/633022036.db2.gz XDLAGELMOKJEGH-SNVBAGLBSA-N 0 1 226.295 2.124 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000226592325 635881375 /nfs/dbraw/zinc/88/13/75/635881375.db2.gz UDMVEZHEVMOIHA-AUSWNFFYSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1coc(C2CC2)n1 ZINC000309424659 633053827 /nfs/dbraw/zinc/05/38/27/633053827.db2.gz KFLQHSJFMXHTDC-KWQFWETISA-N 0 1 238.356 2.393 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1coc(C2CC2)n1 ZINC000309424664 633054283 /nfs/dbraw/zinc/05/42/83/633054283.db2.gz KFLQHSJFMXHTDC-LDYMZIIASA-N 0 1 238.356 2.393 20 0 BEADMN Fc1cc(F)c(CN[C@@H]2CCCOC2)c(F)c1 ZINC000336382604 635901756 /nfs/dbraw/zinc/90/17/56/635901756.db2.gz AXCHWHRSMFPPNA-SECBINFHSA-N 0 1 245.244 2.373 20 0 BEADMN Cc1nc(CNC2(c3ccccc3F)CC2)n[nH]1 ZINC000293358135 633125228 /nfs/dbraw/zinc/12/52/28/633125228.db2.gz YFKBGYQNLAZELN-UHFFFAOYSA-N 0 1 246.289 2.031 20 0 BEADMN COc1ccc(-c2cc([C@H](C)N)on2)cc1 ZINC000167165094 633125964 /nfs/dbraw/zinc/12/59/64/633125964.db2.gz WTHCDRVZGULGGP-QMMMGPOBSA-N 0 1 218.256 2.370 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CCC=CO2)o1 ZINC000311675862 633149201 /nfs/dbraw/zinc/14/92/01/633149201.db2.gz KNPAYPXAWOIVOS-NSHDSACASA-N 0 1 222.288 2.074 20 0 BEADMN COCc1noc([C@H](C)N2CC[C@H](C)[C@H]2C)n1 ZINC000181948323 633167934 /nfs/dbraw/zinc/16/79/34/633167934.db2.gz STTJLLHTTZZMJS-AEJSXWLSSA-N 0 1 239.319 2.007 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(SC)o1 ZINC000894756988 635922852 /nfs/dbraw/zinc/92/28/52/635922852.db2.gz PIHVTDVNTDWUIB-VIFPVBQESA-N 0 1 229.345 2.468 20 0 BEADMN Cc1csc(CNC(=O)C(F)(F)F)c1 ZINC000307597120 635923397 /nfs/dbraw/zinc/92/33/97/635923397.db2.gz NGRKRMOLWPJQCF-UHFFFAOYSA-N 0 1 223.219 2.235 20 0 BEADMN C[C@H](NCCC1CCCC1)c1cc(CO)on1 ZINC000924605529 633229326 /nfs/dbraw/zinc/22/93/26/633229326.db2.gz WGCPBEAVONSKOD-JTQLQIEISA-N 0 1 238.331 2.398 20 0 BEADMN Nc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccn1 ZINC000310298873 636006886 /nfs/dbraw/zinc/00/68/86/636006886.db2.gz NGLZSIYHJPMLSW-SECBINFHSA-N 0 1 245.248 2.048 20 0 BEADMN Nc1cc(CN2CC[C@@H](C(F)(F)F)C2)ccn1 ZINC000310298873 636006889 /nfs/dbraw/zinc/00/68/89/636006889.db2.gz NGLZSIYHJPMLSW-SECBINFHSA-N 0 1 245.248 2.048 20 0 BEADMN COCCC1(C)CN(Cc2cc(C)co2)C1 ZINC000894980458 636010888 /nfs/dbraw/zinc/01/08/88/636010888.db2.gz PWENUMSOBVSGLU-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN FC(F)(F)C1CN(C[C@@H]2CCSC2)C1 ZINC000894891332 635999844 /nfs/dbraw/zinc/99/98/44/635999844.db2.gz ATOJQRNJCMVZMX-ZETCQYMHSA-N 0 1 225.279 2.234 20 0 BEADMN COC1(CN2CC(C(F)(F)F)C2)CCCC1 ZINC000894891770 636000181 /nfs/dbraw/zinc/00/01/81/636000181.db2.gz MXHSYCFNSPSOIF-UHFFFAOYSA-N 0 1 237.265 2.440 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H](C)CSC)n1 ZINC000925096091 636002463 /nfs/dbraw/zinc/00/24/63/636002463.db2.gz MGZXAGKQMSLBEJ-IUCAKERBSA-N 0 1 242.392 2.009 20 0 BEADMN CSCC[C@@H](C)N[C@@H](C)c1ncco1 ZINC000925096739 636004292 /nfs/dbraw/zinc/00/42/92/636004292.db2.gz PFPCRVJOYQIXNC-BDAKNGLRSA-N 0 1 214.334 2.467 20 0 BEADMN COc1nccc(CN(C)C(C)(C)C)c1F ZINC000895117569 636065000 /nfs/dbraw/zinc/06/50/00/636065000.db2.gz SIERIQDEJMVDLE-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1C ZINC000928557514 636098657 /nfs/dbraw/zinc/09/86/57/636098657.db2.gz UOQJQKLGSDICOF-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)NC[C@H]1CCN1C ZINC000928560827 636104879 /nfs/dbraw/zinc/10/48/79/636104879.db2.gz WHQMZGKREWKWJX-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN C#CCN(C)CCOc1ccc(F)cc1Cl ZINC000192229189 636116891 /nfs/dbraw/zinc/11/68/91/636116891.db2.gz TWWMNBYJUSOMIC-UHFFFAOYSA-N 0 1 241.693 2.423 20 0 BEADMN CSc1ccc(CN(C)Cc2cnc[nH]2)o1 ZINC000895223577 636123795 /nfs/dbraw/zinc/12/37/95/636123795.db2.gz AKFNERGDCCGNSF-UHFFFAOYSA-N 0 1 237.328 2.357 20 0 BEADMN C[C@@H](NC1(C2CC2)CCC1)c1cc(CO)on1 ZINC000926873521 633757329 /nfs/dbraw/zinc/75/73/29/633757329.db2.gz GGYCFNMHQZWCEK-SECBINFHSA-N 0 1 236.315 2.150 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NC/C=C/Cl ZINC000308652441 633785268 /nfs/dbraw/zinc/78/52/68/633785268.db2.gz LOBNDDIIQZKOSK-ZJELKQJVSA-N 0 1 213.712 2.132 20 0 BEADMN CS[C@@H](C)CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000122590395 633789175 /nfs/dbraw/zinc/78/91/75/633789175.db2.gz ZJUIUTVEPAVKQB-ZETCQYMHSA-N 0 1 240.328 2.252 20 0 BEADMN Cc1ccc(OC[C@@H](C)NCc2cc[nH]n2)cc1 ZINC000040499578 633814852 /nfs/dbraw/zinc/81/48/52/633814852.db2.gz PSMVAXVTNVDRFU-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN CSC1CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC000926894230 633819365 /nfs/dbraw/zinc/81/93/65/633819365.db2.gz LSLYCTJFMXFHMM-MCIGGMRASA-N 0 1 249.383 2.411 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1(C(C)C)CC1 ZINC000925510629 633849869 /nfs/dbraw/zinc/84/98/69/633849869.db2.gz YPESQSRBZADFIW-SECBINFHSA-N 0 1 223.320 2.465 20 0 BEADMN C[C@@H](N[C@H]1CCCc2cn[nH]c21)C(F)(F)F ZINC000309427544 633916557 /nfs/dbraw/zinc/91/65/57/633916557.db2.gz AZRKQVORNLDRPA-SVRRBLITSA-N 0 1 233.237 2.328 20 0 BEADMN CC(C)COC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000181475756 633917482 /nfs/dbraw/zinc/91/74/82/633917482.db2.gz IVVISNCTINOESD-QWRGUYRKSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1ncco1 ZINC000925552203 634003818 /nfs/dbraw/zinc/00/38/18/634003818.db2.gz WDIQZEJFKVILNU-WPRPVWTQSA-N 0 1 232.287 2.126 20 0 BEADMN CCCCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000895483912 636152375 /nfs/dbraw/zinc/15/23/75/636152375.db2.gz UEBJJZCEOKGTEJ-VIFPVBQESA-N 0 1 235.331 2.064 20 0 BEADMN CCCCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000895483910 636153230 /nfs/dbraw/zinc/15/32/30/636153230.db2.gz UEBJJZCEOKGTEJ-SECBINFHSA-N 0 1 235.331 2.064 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)[C@H]1C ZINC000895518465 636156663 /nfs/dbraw/zinc/15/66/63/636156663.db2.gz PJCXNJMKYWTOLD-YVECIDJPSA-N 0 1 238.375 2.022 20 0 BEADMN CSCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000309884425 634037982 /nfs/dbraw/zinc/03/79/82/634037982.db2.gz XLVDYUSESUVLMX-JTQLQIEISA-N 0 1 239.388 2.233 20 0 BEADMN FC1(CN2CC[C@@H](c3nccs3)C2)CC1 ZINC000895581877 636163716 /nfs/dbraw/zinc/16/37/16/636163716.db2.gz POMYEIXUPREBOU-SECBINFHSA-N 0 1 226.320 2.435 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1c(C)noc1CC ZINC000895598367 636164037 /nfs/dbraw/zinc/16/40/37/636164037.db2.gz MACRYZZXZHZDSY-OLZOCXBDSA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@](C)(C[N@@H+](CC(=O)[O-])C1CCCC1)OC ZINC000319406966 634262896 /nfs/dbraw/zinc/26/28/96/634262896.db2.gz GKPYMWFTPUZFLV-CYBMUJFWSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cccc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000258848029 635212646 /nfs/dbraw/zinc/21/26/46/635212646.db2.gz IRXJEMSXFKEFEJ-QWHCGFSZSA-N 0 1 233.311 2.148 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000054053178 635338840 /nfs/dbraw/zinc/33/88/40/635338840.db2.gz QQOHUZXNGGTPGJ-VIFPVBQESA-N 0 1 217.272 2.325 20 0 BEADMN CCOC(=O)[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000261257831 635389368 /nfs/dbraw/zinc/38/93/68/635389368.db2.gz GVXFXAKTKFYDTP-LBPRGKRZSA-N 0 1 247.338 2.318 20 0 BEADMN C[C@H](CNC(=O)c1cnccc1N)C(C)(C)C ZINC000163157948 636059636 /nfs/dbraw/zinc/05/96/36/636059636.db2.gz VWZPKHUJHQZGBC-SECBINFHSA-N 0 1 235.331 2.076 20 0 BEADMN CC(C)c1ccc(NC(=O)Cc2cnc[nH]2)cn1 ZINC000928623826 636213343 /nfs/dbraw/zinc/21/33/43/636213343.db2.gz MZCPANFWPURGQP-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN Cc1cc(C)cc(C(=O)N2CCNC(C)(C)C2)c1 ZINC000148057329 636224330 /nfs/dbraw/zinc/22/43/30/636224330.db2.gz OYSZKIWKTAWHRF-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)Cc1cnc[nH]1 ZINC000909566633 636255582 /nfs/dbraw/zinc/25/55/82/636255582.db2.gz IZHIHPRAZHOSLQ-GWCFXTLKSA-N 0 1 235.331 2.037 20 0 BEADMN COCC[N@@H+](Cc1c[nH]cn1)[C@H]1CC[C@@H](C)C1 ZINC000796456964 636257472 /nfs/dbraw/zinc/25/74/72/636257472.db2.gz SQFVELQDHSZRRS-YPMHNXCESA-N 0 1 237.347 2.047 20 0 BEADMN CCC[C@H](CCO)CN[C@H](C)c1ncco1 ZINC000925185235 636361913 /nfs/dbraw/zinc/36/19/13/636361913.db2.gz AJZVBSBZWNESDP-GHMZBOCLSA-N 0 1 226.320 2.124 20 0 BEADMN COc1ccnc([C@@H](C)NCc2ccn(C)c2)c1 ZINC000925209157 636388102 /nfs/dbraw/zinc/38/81/02/636388102.db2.gz BLFYUBATJJBAMB-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CC[C@H]1C1CCC1 ZINC000840996254 636617305 /nfs/dbraw/zinc/61/73/05/636617305.db2.gz IOXQSEUFCSBSKF-SDDRHHMPSA-N 0 1 223.316 2.114 20 0 BEADMN CC(C)n1cc([C@H](C)NC2CC=CC2)nn1 ZINC000925272272 636694365 /nfs/dbraw/zinc/69/43/65/636694365.db2.gz XGUBJBDUENHISM-JTQLQIEISA-N 0 1 220.320 2.228 20 0 BEADMN CC(C)C1(NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000897864709 636840483 /nfs/dbraw/zinc/84/04/83/636840483.db2.gz SMWHLIFPJZQGTD-LLVKDONJSA-N 0 1 238.375 2.164 20 0 BEADMN OCCC1CC(NCc2ncc(Cl)s2)C1 ZINC000898009875 636850242 /nfs/dbraw/zinc/85/02/42/636850242.db2.gz AVWLORQCGIVHII-UHFFFAOYSA-N 0 1 246.763 2.047 20 0 BEADMN CC(C)CCc1nc([C@H](N)C(C)C)no1 ZINC000041052621 636958431 /nfs/dbraw/zinc/95/84/31/636958431.db2.gz LUWSOAZQLGRKMV-SNVBAGLBSA-N 0 1 211.309 2.314 20 0 BEADMN CCC[C@H](O)CCN[C@H](C)c1cc(C)on1 ZINC000927015048 636989898 /nfs/dbraw/zinc/98/98/98/636989898.db2.gz FGNFFXSKYQUVPT-MNOVXSKESA-N 0 1 226.320 2.185 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCCO1)c1nccn1C ZINC000927018223 636991203 /nfs/dbraw/zinc/99/12/03/636991203.db2.gz LDRGIDONRFUATK-WCQYABFASA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@]2(C)CCCCO2)c2nccn21 ZINC000927023153 636994220 /nfs/dbraw/zinc/99/42/20/636994220.db2.gz UMAHIAIZDJKXMP-YRGRVCCFSA-N 0 1 249.358 2.438 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OCC1CCC1 ZINC000923889708 637002335 /nfs/dbraw/zinc/00/23/35/637002335.db2.gz ATSRMYCJISHGHY-GFCCVEGCSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898662058 637051831 /nfs/dbraw/zinc/05/18/31/637051831.db2.gz LNEAAKSFTCMOOB-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1ccn(C)n1 ZINC000927157358 637068334 /nfs/dbraw/zinc/06/83/34/637068334.db2.gz DOGWTLPMFDXMNC-DGCLKSJQSA-N 0 1 249.358 2.172 20 0 BEADMN CC(C)N(Cc1cn(C2CC2)nn1)C(C)C ZINC000899714315 637133111 /nfs/dbraw/zinc/13/31/11/637133111.db2.gz SNENUDSMPRFDSK-UHFFFAOYSA-N 0 1 222.336 2.232 20 0 BEADMN CC(C)(C)c1noc(C23CCC(CC2)N3)n1 ZINC000899995295 637165296 /nfs/dbraw/zinc/16/52/96/637165296.db2.gz ZBANRFAEIWIIRK-UHFFFAOYSA-N 0 1 221.304 2.108 20 0 BEADMN CN(Cc1ccoc1)C[C@@H](O)c1ccccc1 ZINC000042371576 637194248 /nfs/dbraw/zinc/19/42/48/637194248.db2.gz NGBAHXBKROZXKA-CQSZACIVSA-N 0 1 231.295 2.445 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])no1)C1CCCC1 ZINC000042417001 637239455 /nfs/dbraw/zinc/23/94/55/637239455.db2.gz PULYIILLXDWSQP-UHFFFAOYSA-N 0 1 238.287 2.137 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)Cc1ccccc1 ZINC000901426870 637250653 /nfs/dbraw/zinc/25/06/53/637250653.db2.gz QNNOMZIAAMJRHH-GFCCVEGCSA-N 0 1 235.327 2.272 20 0 BEADMN CC[N@@H+](CCc1cc(C)cc(C)c1)CC(=O)[O-] ZINC000901427005 637251581 /nfs/dbraw/zinc/25/15/81/637251581.db2.gz XPPBAYMTGGFFMQ-UHFFFAOYSA-N 0 1 235.327 2.252 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)[O-])c1cc(F)cc(F)c1 ZINC000901574359 637268169 /nfs/dbraw/zinc/26/81/69/637268169.db2.gz DVWAPBGISWYFIA-MRVPVSSYSA-N 0 1 243.253 2.085 20 0 BEADMN C[C@H](C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000042493559 637273168 /nfs/dbraw/zinc/27/31/68/637273168.db2.gz ALWBVYGSONCQFT-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CCCC[N@@H+](Cc1cc(C(=O)[O-])no1)C1CC1 ZINC000042490676 637273219 /nfs/dbraw/zinc/27/32/19/637273219.db2.gz WQKJYWRHZQTVJF-UHFFFAOYSA-N 0 1 238.287 2.137 20 0 BEADMN C[C@@H](CN(C)CN1CCOC1=O)C(C)(C)C ZINC000902363557 637301600 /nfs/dbraw/zinc/30/16/00/637301600.db2.gz WTQCFJRGDCKAEX-JTQLQIEISA-N 0 1 228.336 2.010 20 0 BEADMN C[C@H](N[C@H]1CCOC12CCCC2)c1nccn1C ZINC000903202957 637354023 /nfs/dbraw/zinc/35/40/23/637354023.db2.gz HBIPWNRSQNIHOD-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN CCn1cnc(CNC[C@H]2C(C)(C)C2(F)F)c1 ZINC000904442562 637410638 /nfs/dbraw/zinc/41/06/38/637410638.db2.gz VAVKFUSITYHELH-JTQLQIEISA-N 0 1 243.301 2.284 20 0 BEADMN Cc1cnc(-c2nc([C@H](N)C(C)C)no2)cc1C ZINC000904501393 637430228 /nfs/dbraw/zinc/43/02/28/637430228.db2.gz YMTFZIFGPRRMFQ-LLVKDONJSA-N 0 1 246.314 2.404 20 0 BEADMN CNCc1ncc(-c2ccc(C)cc2C)cn1 ZINC000904857772 637495154 /nfs/dbraw/zinc/49/51/54/637495154.db2.gz SEBLSBFZPICBAY-UHFFFAOYSA-N 0 1 227.311 2.480 20 0 BEADMN CCc1ccccc1-c1cnc(CNC)nc1 ZINC000904842517 637501269 /nfs/dbraw/zinc/50/12/69/637501269.db2.gz YXPNELKQARDTIE-UHFFFAOYSA-N 0 1 227.311 2.425 20 0 BEADMN CC(C)(C(=O)Nc1cccnc1)N1CCCCC1 ZINC000905046777 637564452 /nfs/dbraw/zinc/56/44/52/637564452.db2.gz UHUREPJKCPUJAB-UHFFFAOYSA-N 0 1 247.342 2.285 20 0 BEADMN CC(C)c1ccc([S@@](=O)Cc2c[nH]nn2)cc1 ZINC000905163853 637676494 /nfs/dbraw/zinc/67/64/94/637676494.db2.gz BEFAISJCMRPBDQ-KRWDZBQOSA-N 0 1 249.339 2.236 20 0 BEADMN CC[C@@](O)(CNCC(C)(C)F)C(F)(F)F ZINC000905401717 637796850 /nfs/dbraw/zinc/79/68/50/637796850.db2.gz YVQMGDOWDUHERI-MRVPVSSYSA-N 0 1 231.233 2.028 20 0 BEADMN c1[nH]cc(C2CC2)c1-c1nc([C@H]2CCCN2)no1 ZINC000905304896 637761341 /nfs/dbraw/zinc/76/13/41/637761341.db2.gz NRFDDLDEEQXNLA-LLVKDONJSA-N 0 1 244.298 2.367 20 0 BEADMN CCn1ccnc1NCc1cc(C)co1 ZINC000905413697 637802304 /nfs/dbraw/zinc/80/23/04/637802304.db2.gz DNSJPOYHLWAQPL-UHFFFAOYSA-N 0 1 205.261 2.417 20 0 BEADMN O[C@H](CN[C@@H]1c2ccccc2CC[C@@H]1F)C1CC1 ZINC000905451038 637810109 /nfs/dbraw/zinc/81/01/09/637810109.db2.gz CNRISBYPSFZDEI-RRFJBIMHSA-N 0 1 249.329 2.373 20 0 BEADMN CC[C@H](O)CNCc1nsc2ccccc12 ZINC000905458919 637822986 /nfs/dbraw/zinc/82/29/86/637822986.db2.gz ZKQNSHLMFKJYTC-VIFPVBQESA-N 0 1 236.340 2.157 20 0 BEADMN O=[S@@](CCN1CCCCCC1)C(F)(F)F ZINC000905868387 637954263 /nfs/dbraw/zinc/95/42/63/637954263.db2.gz PFSFYXIIORMDDZ-HNNXBMFYSA-N 0 1 243.294 2.131 20 0 BEADMN CNCc1ncc(-c2ccc(C)cc2OC)cn1 ZINC000906180996 638091400 /nfs/dbraw/zinc/09/14/00/638091400.db2.gz BLWDTJINFCEJRZ-UHFFFAOYSA-N 0 1 243.310 2.180 20 0 BEADMN CCCCN(CC)Cc1cn(C2CC2)nn1 ZINC000906253778 638118499 /nfs/dbraw/zinc/11/84/99/638118499.db2.gz HGNZQSXKRAMAFY-UHFFFAOYSA-N 0 1 222.336 2.235 20 0 BEADMN CCCN(CCC)Cc1cn(C2CC2)nn1 ZINC000906254456 638119762 /nfs/dbraw/zinc/11/97/62/638119762.db2.gz OWAIEWIFVAPZCP-UHFFFAOYSA-N 0 1 222.336 2.235 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906272542 638123991 /nfs/dbraw/zinc/12/39/91/638123991.db2.gz GGCURBJDYKOXQY-JQWIXIFHSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1cn(C2CC2)nn1 ZINC000906258951 638128336 /nfs/dbraw/zinc/12/83/36/638128336.db2.gz RULZDAXLXQYOAO-CYBMUJFWSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906266979 638130602 /nfs/dbraw/zinc/13/06/02/638130602.db2.gz WROYTOLHMFOLQK-LLVKDONJSA-N 0 1 234.347 2.378 20 0 BEADMN C[C@@H]1CCCCCN1Cc1cn(C2CC2)nn1 ZINC000906266979 638130603 /nfs/dbraw/zinc/13/06/03/638130603.db2.gz WROYTOLHMFOLQK-LLVKDONJSA-N 0 1 234.347 2.378 20 0 BEADMN c1c(C[N@H+]2CCC[C@@H](C3CC3)C2)nnn1C1CC1 ZINC000906306045 638139800 /nfs/dbraw/zinc/13/98/00/638139800.db2.gz JEUNSLCEHLPSQP-GFCCVEGCSA-N 0 1 246.358 2.235 20 0 BEADMN c1c(CN2CCC[C@@H](C3CC3)C2)nnn1C1CC1 ZINC000906306045 638139805 /nfs/dbraw/zinc/13/98/05/638139805.db2.gz JEUNSLCEHLPSQP-GFCCVEGCSA-N 0 1 246.358 2.235 20 0 BEADMN CC[C@@H](C)N(CC)Cc1cn(C2CC2)nn1 ZINC000906312919 638140620 /nfs/dbraw/zinc/14/06/20/638140620.db2.gz GBQUPMADDVADQU-SNVBAGLBSA-N 0 1 222.336 2.233 20 0 BEADMN CCCN(Cc1cn(C2CC2)nn1)C(C)C ZINC000906312224 638141377 /nfs/dbraw/zinc/14/13/77/638141377.db2.gz QSBUEFPSVXPWDJ-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000907358631 638359550 /nfs/dbraw/zinc/35/95/50/638359550.db2.gz NYLMWRFQWHMCQY-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000713714619 711455180 /nfs/dbraw/zinc/45/51/80/711455180.db2.gz BHLSNRRYWDIMPT-SVJDAXRGSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722603225 711455385 /nfs/dbraw/zinc/45/53/85/711455385.db2.gz HIPIOKKVHOYAKU-GKUNOOHESA-N 0 1 223.316 2.161 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC000908558076 639014008 /nfs/dbraw/zinc/01/40/08/639014008.db2.gz MVZUIXYQRMEVIN-BDAKNGLRSA-N 0 1 239.294 2.105 20 0 BEADMN CCC[C@H](NC(=O)Cc1cnc[nH]1)C(C)(C)C ZINC000908686459 639044845 /nfs/dbraw/zinc/04/48/45/639044845.db2.gz ASUFSLZCZGCHOR-NSHDSACASA-N 0 1 237.347 2.283 20 0 BEADMN CCC(C)=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908698810 639048177 /nfs/dbraw/zinc/04/81/77/639048177.db2.gz CHOSNGIYFFBLEF-FPLPWBNLSA-N 0 1 230.271 2.253 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1(C2CC2)CC1 ZINC000908707627 639058076 /nfs/dbraw/zinc/05/80/76/639058076.db2.gz SUPYVZWTSLNVRS-UHFFFAOYSA-N 0 1 242.282 2.087 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)/C=C(\C)Cl ZINC000909208808 639172985 /nfs/dbraw/zinc/17/29/85/639172985.db2.gz RSHYULNSTNEYLS-UQSGXBNBSA-N 0 1 244.766 2.072 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(Cn2ccsc2=O)C1 ZINC000746613206 639237027 /nfs/dbraw/zinc/23/70/27/639237027.db2.gz CXSRTVOUWKVMGO-MNOVXSKESA-N 0 1 240.372 2.378 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(Cn2ccsc2=O)C1 ZINC000746613205 639237348 /nfs/dbraw/zinc/23/73/48/639237348.db2.gz CXSRTVOUWKVMGO-GHMZBOCLSA-N 0 1 240.372 2.378 20 0 BEADMN CN(CC(=O)N[C@@]1(C)CC=CCC1)C1CCC1 ZINC000909930366 639279677 /nfs/dbraw/zinc/27/96/77/639279677.db2.gz FWISMXXFFHUBSY-AWEZNQCLSA-N 0 1 236.359 2.086 20 0 BEADMN CCCCCc1cc(C(=O)N2CC=CC2)n[nH]1 ZINC000910028249 639317475 /nfs/dbraw/zinc/31/74/75/639317475.db2.gz ZTBRXOUNWDNLSN-UHFFFAOYSA-N 0 1 233.315 2.154 20 0 BEADMN Cc1cccc(N(CCC(=O)[O-])CC2CC2)[nH+]1 ZINC000910415866 639442981 /nfs/dbraw/zinc/44/29/81/639442981.db2.gz FJPYIUPFFHAVAN-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN C[C@@H](C(=O)[O-])[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000910430333 639446539 /nfs/dbraw/zinc/44/65/39/639446539.db2.gz HYKWKDXPHDXAKG-BDAKNGLRSA-N 0 1 247.298 2.094 20 0 BEADMN Cc1cc[nH+]c(N[C@@H](C)CCC(=O)[O-])c1 ZINC000910437686 639460662 /nfs/dbraw/zinc/46/06/62/639460662.db2.gz SHQUUTWORLBZJA-VIFPVBQESA-N 0 1 208.261 2.055 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000911327864 639619786 /nfs/dbraw/zinc/61/97/86/639619786.db2.gz QXTZMVNJHMOPEY-NWDGAFQWSA-N 0 1 247.342 2.037 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1ccc(N)nc1 ZINC000930222060 639641396 /nfs/dbraw/zinc/64/13/96/639641396.db2.gz LJOSHBQNFBPZNB-QMMMGPOBSA-N 0 1 246.314 2.119 20 0 BEADMN COC/C(C)=C/CN1CCO[C@@H](C(C)(C)C)C1 ZINC000930266605 639669519 /nfs/dbraw/zinc/66/95/19/639669519.db2.gz BSOGMFYKKNJFBQ-XEVNVYFWSA-N 0 1 241.375 2.326 20 0 BEADMN Cc1cc(CN2[C@H](C)C[C@H]2C)c(C)nn1 ZINC000930272146 639676577 /nfs/dbraw/zinc/67/65/77/639676577.db2.gz BHGVQWJXXNDCQC-NXEZZACHSA-N 0 1 205.305 2.076 20 0 BEADMN CO[C@@]1(C)CCCN([C@@H](C)c2ncccn2)CC1 ZINC000930290220 639680828 /nfs/dbraw/zinc/68/08/28/639680828.db2.gz YLIRDYYRERMEFA-JSGCOSHPSA-N 0 1 249.358 2.429 20 0 BEADMN Cc1cc(CN2CCC=C(C)C2)c(C)nn1 ZINC000930306430 639692039 /nfs/dbraw/zinc/69/20/39/639692039.db2.gz OGQISJLQZWCQGO-UHFFFAOYSA-N 0 1 217.316 2.245 20 0 BEADMN CSCCC[N@@H+](C)Cc1cnn(CCF)c1 ZINC000930317836 639700967 /nfs/dbraw/zinc/70/09/67/639700967.db2.gz GKMDPWUYNULQBX-UHFFFAOYSA-N 0 1 245.367 2.038 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)nnc2C)[C@H](C)C1 ZINC000930322921 639703743 /nfs/dbraw/zinc/70/37/43/639703743.db2.gz LPBDJULUZQUUMA-BXUZGUMPSA-N 0 1 249.358 2.093 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)C[C@H]2C)o1 ZINC000930323691 639704430 /nfs/dbraw/zinc/70/44/30/639704430.db2.gz PTQKPILIRVFYAP-GHMZBOCLSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)C[C@@H]2C)o1 ZINC000930323695 639704610 /nfs/dbraw/zinc/70/46/10/639704610.db2.gz PTQKPILIRVFYAP-WDEREUQCSA-N 0 1 238.331 2.236 20 0 BEADMN C[C@@H](c1ncccn1)N1CC[C@]2(C1)CCCOC2 ZINC000930377357 639738113 /nfs/dbraw/zinc/73/81/13/639738113.db2.gz SGWQHHLVSHGZQR-JSGCOSHPSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@]2(C1)CCCOC2 ZINC000930377358 639740606 /nfs/dbraw/zinc/74/06/06/639740606.db2.gz SGWQHHLVSHGZQR-OCCSQVGLSA-N 0 1 247.342 2.040 20 0 BEADMN CO[C@H](C)CN(C)Cc1cc(C)cc(C)n1 ZINC000930477368 639775739 /nfs/dbraw/zinc/77/57/39/639775739.db2.gz PWZUSMXVHVPXMJ-GFCCVEGCSA-N 0 1 222.332 2.165 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC(F)(F)[C@@H](C)C1 ZINC000930512022 639792962 /nfs/dbraw/zinc/79/29/62/639792962.db2.gz AXIDYVLUKSRMDH-MBACFSSFSA-N 0 1 247.285 2.083 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(N)nc2)CCC1(F)F ZINC000930514564 639795688 /nfs/dbraw/zinc/79/56/88/639795688.db2.gz YEZBANPIJLSAQV-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN C[C@H]1CN(Cc2ccc(N)nc2)CCC1(F)F ZINC000930514564 639795692 /nfs/dbraw/zinc/79/56/92/639795692.db2.gz YEZBANPIJLSAQV-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000930563116 639811246 /nfs/dbraw/zinc/81/12/46/639811246.db2.gz SGICYDJEXIBQRJ-OUAUKWLOSA-N 0 1 225.332 2.058 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1c(F)cncc1F ZINC000930607518 639819120 /nfs/dbraw/zinc/81/91/20/639819120.db2.gz YVUZFIKRJKQRQU-NSHDSACASA-N 0 1 242.269 2.017 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)[C@H](C)C2)o1 ZINC000930636972 639836012 /nfs/dbraw/zinc/83/60/12/639836012.db2.gz JVOPHAXVVBDOML-PWSUYJOCSA-N 0 1 238.331 2.094 20 0 BEADMN COC[C@H]1CCCN([C@@H](C)c2ncccn2)CC1 ZINC000930674711 639858584 /nfs/dbraw/zinc/85/85/84/639858584.db2.gz FSWHCXSUHYNMID-STQMWFEESA-N 0 1 249.358 2.286 20 0 BEADMN COC/C(C)=C\CN1CCO[C@H](C2CCC2)C1 ZINC000930712493 639874981 /nfs/dbraw/zinc/87/49/81/639874981.db2.gz NUHOIWOEHWZWHE-ZDWRTJATSA-N 0 1 239.359 2.080 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)C[C@H](CC)O1 ZINC000930747268 639893758 /nfs/dbraw/zinc/89/37/58/639893758.db2.gz JEYKLZWGHMFQED-SOVRZDNNSA-N 0 1 241.375 2.469 20 0 BEADMN CCC(C)(C)NC(=O)c1ccc2n1CCN[C@@H]2C ZINC000911956523 639902459 /nfs/dbraw/zinc/90/24/59/639902459.db2.gz MDWZYYANPUXMOD-SNVBAGLBSA-N 0 1 249.358 2.071 20 0 BEADMN CN(CC(=O)N(C)c1ccsc1)C1CCC1 ZINC000912003747 639919692 /nfs/dbraw/zinc/91/96/92/639919692.db2.gz ODWXRAXCGYKFJT-UHFFFAOYSA-N 0 1 238.356 2.195 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ncccn1 ZINC000930853582 639951586 /nfs/dbraw/zinc/95/15/86/639951586.db2.gz VPWKNHZXPYTAFF-IJLUTSLNSA-N 0 1 235.331 2.085 20 0 BEADMN Cc1nc(C)c(CN2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC000930865337 639955816 /nfs/dbraw/zinc/95/58/16/639955816.db2.gz DDVAVRBBOTZTBL-NSHDSACASA-N 0 1 241.285 2.258 20 0 BEADMN Cc1noc([C@H](C)N(C)CC2CC(C)C2)n1 ZINC000930889767 639973252 /nfs/dbraw/zinc/97/32/52/639973252.db2.gz YZRREXLHRGTMOR-YUCVTWSNSA-N 0 1 223.320 2.417 20 0 BEADMN CC(C)CC1(NCc2nncs2)CC1 ZINC000931061160 640047382 /nfs/dbraw/zinc/04/73/82/640047382.db2.gz CLHOSAQXBJANAB-UHFFFAOYSA-N 0 1 211.334 2.206 20 0 BEADMN CCc1ncc(CN2CC[C@H]3C[C@H]3C2)o1 ZINC000931059414 640048335 /nfs/dbraw/zinc/04/83/35/640048335.db2.gz QDVIRLSXQGBLKV-UWVGGRQHSA-N 0 1 206.289 2.079 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC2(COC2)C1 ZINC000931063071 640051580 /nfs/dbraw/zinc/05/15/80/640051580.db2.gz VHADWAAGKCMGOR-JTQLQIEISA-N 0 1 236.290 2.004 20 0 BEADMN CCOC(=O)C12CC(C1)CN2C[C@@H]1C[C@H]1CC ZINC000931066826 640055505 /nfs/dbraw/zinc/05/55/05/640055505.db2.gz QXNDQULCWFQHBS-BEVNXUHPSA-N 0 1 237.343 2.060 20 0 BEADMN Cc1cc(CN(C)CC2=CCSC2)c(C)nn1 ZINC000931072955 640059828 /nfs/dbraw/zinc/05/98/28/640059828.db2.gz YSPKFXPDPRHPDK-UHFFFAOYSA-N 0 1 249.383 2.198 20 0 BEADMN Cc1cn[nH]c1CSCc1cnc(C)o1 ZINC000912431436 640060067 /nfs/dbraw/zinc/06/00/67/640060067.db2.gz IBWCIVWJKUGFCD-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCO[C@](C)(C(F)F)C1 ZINC000931081195 640060753 /nfs/dbraw/zinc/06/07/53/640060753.db2.gz XBSQCKFJRBXYEN-SCVCMEIPSA-N 0 1 233.302 2.389 20 0 BEADMN Fc1ccccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931132687 640071830 /nfs/dbraw/zinc/07/18/30/640071830.db2.gz COIBAGFFLDJPLG-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN CC(C)SCCN1CCC[C@H]1c1nnc[nH]1 ZINC000931140745 640075633 /nfs/dbraw/zinc/07/56/33/640075633.db2.gz XADIDCVRQTYWIQ-JTQLQIEISA-N 0 1 240.376 2.083 20 0 BEADMN c1cncc(CCCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000931180271 640095078 /nfs/dbraw/zinc/09/50/78/640095078.db2.gz VEXVEUCTQUMUHW-LSDHHAIUSA-N 0 1 246.354 2.268 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC(F)(F)C[C@H]1C ZINC000931255524 640114781 /nfs/dbraw/zinc/11/47/81/640114781.db2.gz UDSAOQHQHPQUPP-OLKPEBQYSA-N 0 1 247.285 2.225 20 0 BEADMN CSC1CCN(Cc2nn(C)cc2C)CC1 ZINC000931376935 640170254 /nfs/dbraw/zinc/17/02/54/640170254.db2.gz GJHYQNFATDLVMQ-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN c1coc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000931449119 640210517 /nfs/dbraw/zinc/21/05/17/640210517.db2.gz OZTDUJMQCLMAPU-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1ccccc1N(C)C(=O)CN(C)C1CCC1 ZINC000912830541 640217482 /nfs/dbraw/zinc/21/74/82/640217482.db2.gz UJNUYSSJMOHFLW-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)Cc2c[nH]nc21 ZINC000931461951 640219203 /nfs/dbraw/zinc/21/92/03/640219203.db2.gz HKLQPPMDSMMQQI-SECBINFHSA-N 0 1 248.355 2.028 20 0 BEADMN C[C@H]1CN(CCc2ccns2)Cc2c[nH]nc21 ZINC000931467550 640227345 /nfs/dbraw/zinc/22/73/45/640227345.db2.gz PMJHCBOZFBDBHL-VIFPVBQESA-N 0 1 248.355 2.028 20 0 BEADMN CCC[C@H](CC)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912900385 640229836 /nfs/dbraw/zinc/22/98/36/640229836.db2.gz JMLAOMHDZIMEPV-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912903246 640245381 /nfs/dbraw/zinc/24/53/81/640245381.db2.gz QHYIPLNBGXOGAN-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)CCC[C@@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000912971052 640269487 /nfs/dbraw/zinc/26/94/87/640269487.db2.gz CSSOCWCSYCHLAE-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1ccnn1C ZINC000931559449 640273386 /nfs/dbraw/zinc/27/33/86/640273386.db2.gz FZGLRRXQWLIJBM-NXEZZACHSA-N 0 1 248.305 2.366 20 0 BEADMN CCc1ncc(CN[C@]23CCC[C@H]2OCC3)o1 ZINC000931562218 640275902 /nfs/dbraw/zinc/27/59/02/640275902.db2.gz FCKGLSBAEVMCOA-YPMHNXCESA-N 0 1 236.315 2.038 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N1CCS[C@H](C)C1 ZINC000931561971 640276314 /nfs/dbraw/zinc/27/63/14/640276314.db2.gz GXWZZDSHIBGJRL-MXWKQRLJSA-N 0 1 245.388 2.011 20 0 BEADMN COC/C(C)=C\CN[C@H](C)c1nccnc1C ZINC000931618777 640291016 /nfs/dbraw/zinc/29/10/16/640291016.db2.gz RENZUJWFASPNOT-GULOHRGCSA-N 0 1 235.331 2.028 20 0 BEADMN CCCN1CCc2nc[nH]c2C12CCC2 ZINC000931674604 640309626 /nfs/dbraw/zinc/30/96/26/640309626.db2.gz CKAFUHBEFQOXCH-UHFFFAOYSA-N 0 1 205.305 2.057 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@H](CF)C1 ZINC000931687180 640314916 /nfs/dbraw/zinc/31/49/16/640314916.db2.gz SYOZTWKTCUXZSL-DTWKUNHWSA-N 0 1 229.324 2.199 20 0 BEADMN CCc1cc(C(=O)N2CC=CC23CCCC3)n[nH]1 ZINC000913199221 640328161 /nfs/dbraw/zinc/32/81/61/640328161.db2.gz HXRNMHYOCPPGLC-UHFFFAOYSA-N 0 1 245.326 2.297 20 0 BEADMN Cc1ncc(C(=O)N2CC=CC23CCCC3)[nH]1 ZINC000913200916 640328646 /nfs/dbraw/zinc/32/86/46/640328646.db2.gz BWKQRQJHCUTSHM-UHFFFAOYSA-N 0 1 231.299 2.043 20 0 BEADMN CC(C)COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913298611 640346705 /nfs/dbraw/zinc/34/67/05/640346705.db2.gz OILBDZYSDSHTOH-UHFFFAOYSA-N 0 1 234.255 2.483 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)(C)C ZINC000913536647 640384860 /nfs/dbraw/zinc/38/48/60/640384860.db2.gz GFRQYXMJSRBWPP-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc([C@@H]2CCN(Cc3ccsc3)C2)no1 ZINC000931935649 640397911 /nfs/dbraw/zinc/39/79/11/640397911.db2.gz GTDCAGZWBZKRTN-LLVKDONJSA-N 0 1 249.339 2.429 20 0 BEADMN CO[C@@H](C)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000932075559 640422245 /nfs/dbraw/zinc/42/22/45/640422245.db2.gz PROWZHQXJFYXQV-JGVFFNPUSA-N 0 1 243.294 2.001 20 0 BEADMN CC[C@H](NC)c1nc(-c2ncccc2C)no1 ZINC000044626261 640445339 /nfs/dbraw/zinc/44/53/39/640445339.db2.gz QQDZOBBTDCVSEM-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@@H]1c1ccnn1C ZINC000932265466 640464621 /nfs/dbraw/zinc/46/46/21/640464621.db2.gz QGNSPQDJAVJKGK-CYBMUJFWSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H]1CCN(CCCOC(F)(F)F)CCO1 ZINC000932335484 640476949 /nfs/dbraw/zinc/47/69/49/640476949.db2.gz HKCSYJOWJLMRIH-VIFPVBQESA-N 0 1 241.253 2.024 20 0 BEADMN C[C@@H]1CCN(CCC(F)(F)F)CCO1 ZINC000932339191 640480100 /nfs/dbraw/zinc/48/01/00/640480100.db2.gz PGFDBFLJQGGODB-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@H](c2ncccn2)C2CC2)O1 ZINC000932352077 640492908 /nfs/dbraw/zinc/49/29/08/640492908.db2.gz FGNQFLRLQMBJHI-RTXFEEFZSA-N 0 1 247.342 2.085 20 0 BEADMN c1cnc([C@H](NC[C@@H]2CCCCO2)C2CC2)nc1 ZINC000932360047 640498032 /nfs/dbraw/zinc/49/80/32/640498032.db2.gz JEKVBFXZBNJCHQ-QWHCGFSZSA-N 0 1 247.342 2.086 20 0 BEADMN Cc1cc(N[C@@H]2CCC[C@@]2(C)C(=O)[O-])nc(C)[nH+]1 ZINC000165024092 640528976 /nfs/dbraw/zinc/52/89/76/640528976.db2.gz QYHXIRZPTWOTMS-ZWNOBZJWSA-N 0 1 249.314 2.149 20 0 BEADMN c1cc2n(c1)CCN(CC[C@@H]1CCCCO1)C2 ZINC000932525511 640562184 /nfs/dbraw/zinc/56/21/84/640562184.db2.gz AIIPEHGXLDQFSU-AWEZNQCLSA-N 0 1 234.343 2.263 20 0 BEADMN FC(F)(F)c1ncc2n1CCN(CC1CC1)C2 ZINC000932584692 640578125 /nfs/dbraw/zinc/57/81/25/640578125.db2.gz YQBMHFFMZZOSFH-UHFFFAOYSA-N 0 1 245.248 2.128 20 0 BEADMN c1c2n(nc1C1CC1)CCN(CCC1CC1)C2 ZINC000932600648 640582106 /nfs/dbraw/zinc/58/21/06/640582106.db2.gz FCAPFXMPDMHKIK-UHFFFAOYSA-N 0 1 231.343 2.376 20 0 BEADMN CC(C)CN1CCn2nc(C(F)(F)F)cc2C1 ZINC000932596846 640582707 /nfs/dbraw/zinc/58/27/07/640582707.db2.gz VKQVSTOQBPBYSG-UHFFFAOYSA-N 0 1 247.264 2.374 20 0 BEADMN FC1(C2CC2)CCN(Cc2ccno2)CC1 ZINC000932625792 640588757 /nfs/dbraw/zinc/58/87/57/640588757.db2.gz BZAFLPGNURBSMW-UHFFFAOYSA-N 0 1 224.279 2.389 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)n[nH]1 ZINC000932785982 640610614 /nfs/dbraw/zinc/61/06/14/640610614.db2.gz BEQCKFLBGNILJI-CNDDSTCGSA-N 0 1 247.342 2.161 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C[C@@H]1CCSC1 ZINC000224701406 640634168 /nfs/dbraw/zinc/63/41/68/640634168.db2.gz DIMWQQRKWDHODH-WDEREUQCSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccco1)c1ccoc1 ZINC000166553052 640647839 /nfs/dbraw/zinc/64/78/39/640647839.db2.gz MERRXXLBGSDLDP-KOLCDFICSA-N 0 1 221.256 2.257 20 0 BEADMN CC(C)C(=O)CCN1CCOC[C@@H]1CC1CC1 ZINC000933212290 640678809 /nfs/dbraw/zinc/67/88/09/640678809.db2.gz GENFKODNZVAEMV-ZDUSSCGKSA-N 0 1 239.359 2.103 20 0 BEADMN CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C)c1 ZINC000933226819 640684831 /nfs/dbraw/zinc/68/48/31/640684831.db2.gz YXIYEPSHLZWMCR-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CCn1cnc2c1CCN(CC1CC(C)C1)C2 ZINC000933257016 640691971 /nfs/dbraw/zinc/69/19/71/640691971.db2.gz RHQFAXZYJQNIFY-UHFFFAOYSA-N 0 1 233.359 2.307 20 0 BEADMN CC1(C)CCN1C(=O)c1cccc(F)c1O ZINC000933298744 640701088 /nfs/dbraw/zinc/70/10/88/640701088.db2.gz JFHQUJKDVQLLAY-UHFFFAOYSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cccc(F)c2O)C1 ZINC000933366834 640709539 /nfs/dbraw/zinc/70/95/39/640709539.db2.gz RYHANSLFICIOII-IUCAKERBSA-N 0 1 237.274 2.402 20 0 BEADMN CN(CCOC(C)(C)C)Cc1cccc(=O)[nH]1 ZINC000933398834 640713400 /nfs/dbraw/zinc/71/34/00/640713400.db2.gz QYSWEADOTAHHQP-UHFFFAOYSA-N 0 1 238.331 2.034 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2ccc(Cl)nn2)C1 ZINC000157780383 640732210 /nfs/dbraw/zinc/73/22/10/640732210.db2.gz RKRLGNFCFWXNHD-IUCAKERBSA-N 0 1 225.723 2.360 20 0 BEADMN CC(C)=CCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933672004 640740722 /nfs/dbraw/zinc/74/07/22/640740722.db2.gz OEQNMTLEGAZVRI-KGLIPLIRSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cccc(C)c1CN(C)Cc1c[nH]nn1 ZINC000933763306 640764539 /nfs/dbraw/zinc/76/45/39/640764539.db2.gz CVPSVCLCWQXDIC-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN c1cc(CN2CCC[C@H]2C2OCCO2)cs1 ZINC000933895736 640781717 /nfs/dbraw/zinc/78/17/17/640781717.db2.gz ISSUPHCYMXVXPP-NSHDSACASA-N 0 1 239.340 2.085 20 0 BEADMN c1cc(CN2CCCSC[C@@H]2C2CC2)no1 ZINC000933917918 640789038 /nfs/dbraw/zinc/78/90/38/640789038.db2.gz OPCLGARQRQLBQQ-GFCCVEGCSA-N 0 1 238.356 2.392 20 0 BEADMN CCC[C@@H](OC)c1noc(CNCC2CC2)n1 ZINC000227312104 640827675 /nfs/dbraw/zinc/82/76/75/640827675.db2.gz HMFXBDFROPMDOH-SNVBAGLBSA-N 0 1 239.319 2.057 20 0 BEADMN Cc1ccc(NCc2cnc[nH]2)c(C)n1 ZINC000087151780 640852732 /nfs/dbraw/zinc/85/27/32/640852732.db2.gz QOSKUOCUJOPZMK-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cccc(Cl)n1 ZINC000723032904 711496271 /nfs/dbraw/zinc/49/62/71/711496271.db2.gz WXBARIMPCJMOCU-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN c1cc(-c2cccnc2)n(CN2CCCCC2)n1 ZINC000170637325 640906525 /nfs/dbraw/zinc/90/65/25/640906525.db2.gz VNZDWQNVJHTITB-UHFFFAOYSA-N 0 1 242.326 2.389 20 0 BEADMN CCN(Cn1nccc1-c1cccnc1)C1CC1 ZINC000170637660 640907487 /nfs/dbraw/zinc/90/74/87/640907487.db2.gz PWTHUNXPCIHHEM-UHFFFAOYSA-N 0 1 242.326 2.387 20 0 BEADMN Cc1ccoc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000229552010 640966690 /nfs/dbraw/zinc/96/66/90/640966690.db2.gz WPEMRAMRSZSFEK-UHFFFAOYSA-N 0 1 225.288 2.131 20 0 BEADMN Cc1noc(C)c1CN(C)CCc1cccnc1 ZINC000172073752 641035833 /nfs/dbraw/zinc/03/58/33/641035833.db2.gz IAVJUDUFNHRHAW-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1c(C)nsc1C ZINC000934107272 641069811 /nfs/dbraw/zinc/06/98/11/641069811.db2.gz HCJONZQPWHJTOJ-VXGBXAGGSA-N 0 1 240.372 2.369 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)CC1(Br)CC1 ZINC000934107900 641072007 /nfs/dbraw/zinc/07/20/07/641072007.db2.gz NONFTASNFHWGTC-BDAKNGLRSA-N 0 1 248.164 2.023 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CC[C@@H]2OC)nc1 ZINC000934112280 641078354 /nfs/dbraw/zinc/07/83/54/641078354.db2.gz SFJABKXSXQXBHZ-KBPBESRZSA-N 0 1 234.343 2.253 20 0 BEADMN Cc1ccc([C@@H](C)NC2COC(C)(C)OC2)o1 ZINC000230681376 641082175 /nfs/dbraw/zinc/08/21/75/641082175.db2.gz MHYUAJOQTNQZNA-SNVBAGLBSA-N 0 1 239.315 2.390 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccccc1F ZINC000934128244 641085165 /nfs/dbraw/zinc/08/51/65/641085165.db2.gz XEYVLBXALSEQDK-QWHCGFSZSA-N 0 1 223.291 2.435 20 0 BEADMN Cc1ccc(-c2cc(C(=O)OCCF)[nH]n2)o1 ZINC000172669599 641093848 /nfs/dbraw/zinc/09/38/48/641093848.db2.gz LUZGWMIVNHAIGH-UHFFFAOYSA-N 0 1 238.218 2.104 20 0 BEADMN CCCCC1(N[C@H](C)c2nncn2C)CC1 ZINC000934203003 641101816 /nfs/dbraw/zinc/10/18/16/641101816.db2.gz MOUFTXCGZQDJGG-SNVBAGLBSA-N 0 1 222.336 2.189 20 0 BEADMN CC[C@H](C)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000062877496 641103624 /nfs/dbraw/zinc/10/36/24/641103624.db2.gz XFHRJKWXNKPSJH-CMPLNLGQSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccsc2)C1 ZINC000062875873 641103991 /nfs/dbraw/zinc/10/39/91/641103991.db2.gz WNRZTOLKFABKDC-GFCCVEGCSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1conc1CN[C@@H](C)Cc1cccnc1 ZINC000934228254 641106556 /nfs/dbraw/zinc/10/65/56/641106556.db2.gz WXIBCSZJDNUCSH-NSHDSACASA-N 0 1 231.299 2.099 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)[C@@H](C)CC ZINC000172775242 641110713 /nfs/dbraw/zinc/11/07/13/641110713.db2.gz CGGQOYBOTWABHD-WDEREUQCSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1ncc(CN2CCCSC[C@@H]2C)cn1 ZINC000934298516 641120436 /nfs/dbraw/zinc/12/04/36/641120436.db2.gz JNRXXUXMCRPMBC-JTQLQIEISA-N 0 1 237.372 2.112 20 0 BEADMN C(c1nnc(C2CC2)o1)N1C[C@@H]2C[C@H]1CCC2 ZINC000934379125 641135726 /nfs/dbraw/zinc/13/57/26/641135726.db2.gz FBWUZUXONVFSFD-GXSJLCMTSA-N 0 1 233.315 2.321 20 0 BEADMN Cc1cc(CN[C@H]2CCOC23CCCC3)no1 ZINC000934385922 641138504 /nfs/dbraw/zinc/13/85/04/641138504.db2.gz ZJUPJGHADRPBFL-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(CC)C2CC2)C1 ZINC000173301567 641163410 /nfs/dbraw/zinc/16/34/10/641163410.db2.gz ISACBUAIMOCTGY-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN Cc1ccc2oc(=O)n(CN3CCC[C@H]3C)c2c1 ZINC000173528928 641182181 /nfs/dbraw/zinc/18/21/81/641182181.db2.gz HDYRZBZFASMIHU-LLVKDONJSA-N 0 1 246.310 2.345 20 0 BEADMN C[C@@H](NCCF)c1cnn(CC2CCC2)c1 ZINC000934560858 641193056 /nfs/dbraw/zinc/19/30/56/641193056.db2.gz BJTSSXAXERUFAA-SNVBAGLBSA-N 0 1 225.311 2.303 20 0 BEADMN C[C@H](NCCF)c1cnn(CC2CCC2)c1 ZINC000934560852 641193070 /nfs/dbraw/zinc/19/30/70/641193070.db2.gz BJTSSXAXERUFAA-JTQLQIEISA-N 0 1 225.311 2.303 20 0 BEADMN O[C@@H]1CCN(CCC2=CCCCC2)C[C@@H]1F ZINC000934565009 641196035 /nfs/dbraw/zinc/19/60/35/641196035.db2.gz KNRSZRYYJUQKQL-QWHCGFSZSA-N 0 1 227.323 2.282 20 0 BEADMN O[C@H]1CCN(CCC2=CCCCC2)C[C@@H]1F ZINC000934565011 641196936 /nfs/dbraw/zinc/19/69/36/641196936.db2.gz KNRSZRYYJUQKQL-STQMWFEESA-N 0 1 227.323 2.282 20 0 BEADMN O[C@@H]1CCN(CCC2=CCCCC2)C[C@H]1F ZINC000934565006 641197917 /nfs/dbraw/zinc/19/79/17/641197917.db2.gz KNRSZRYYJUQKQL-CHWSQXEVSA-N 0 1 227.323 2.282 20 0 BEADMN CC(C)(C)CCCN1CC[C@H](O)[C@H](F)C1 ZINC000934571854 641203195 /nfs/dbraw/zinc/20/31/95/641203195.db2.gz GWJQLXZJRQATOU-MNOVXSKESA-N 0 1 217.328 2.217 20 0 BEADMN O[C@@H]1CCN([C@@H]2C=CCCCCC2)C[C@H]1F ZINC000934575282 641207810 /nfs/dbraw/zinc/20/78/10/641207810.db2.gz WDHMLDTZDXWEON-JHJVBQTASA-N 0 1 227.323 2.280 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CC=CC[C@H]2C)n1 ZINC000934623664 641220765 /nfs/dbraw/zinc/22/07/65/641220765.db2.gz XREQRXIDTBMDKG-ZYHUDNBSSA-N 0 1 247.342 2.189 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC=CC[C@H]2C)n1 ZINC000934626457 641223652 /nfs/dbraw/zinc/22/36/52/641223652.db2.gz VXOGQNIJPUQTRA-WCABBAIRSA-N 0 1 221.304 2.383 20 0 BEADMN CSCC(C)(C)NCc1ncnn1C(C)C ZINC000934665803 641239768 /nfs/dbraw/zinc/23/97/68/641239768.db2.gz ARPRELPDEGOVSH-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN Cn1cc(CN[C@@H](c2ccncc2)C2CC2)cn1 ZINC000934688266 641246311 /nfs/dbraw/zinc/24/63/11/641246311.db2.gz PEGPEQLYMMDVIS-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN C[C@]12CSC[C@H]1CN(Cc1nccs1)C2 ZINC000934771873 641263896 /nfs/dbraw/zinc/26/38/96/641263896.db2.gz ZHEWUPRUURRSPP-KOLCDFICSA-N 0 1 240.397 2.328 20 0 BEADMN CC1(CCC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000934898388 641297901 /nfs/dbraw/zinc/29/79/01/641297901.db2.gz WXPNJRARKSYWBC-NSHDSACASA-N 0 1 247.342 2.484 20 0 BEADMN CC[C@@](C)(O)C(=O)Nc1cccc(Cl)c1O ZINC000935108217 641342139 /nfs/dbraw/zinc/34/21/39/641342139.db2.gz OFIXNPXJXWQWAR-LLVKDONJSA-N 0 1 243.690 2.145 20 0 BEADMN C[C@H](c1nc(N(C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000350602922 641373240 /nfs/dbraw/zinc/37/32/40/641373240.db2.gz UTMZDGSNNCNGRM-OPRDCNLKSA-N 0 1 238.335 2.069 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cccc(F)c1O ZINC000935251568 641373588 /nfs/dbraw/zinc/37/35/88/641373588.db2.gz LHJYMAMZLYMDLU-NSHDSACASA-N 0 1 237.274 2.402 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cccc(F)c1O ZINC000935251566 641374610 /nfs/dbraw/zinc/37/46/10/641374610.db2.gz LHJYMAMZLYMDLU-LLVKDONJSA-N 0 1 237.274 2.402 20 0 BEADMN CCOCCN(CC)Cc1c(C)noc1CC ZINC000929599421 641374599 /nfs/dbraw/zinc/37/45/99/641374599.db2.gz AESVLWKZMGWSFA-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN CCCC(CCC)C(=O)NC12CCN(CC1)C2 ZINC000913631303 641429212 /nfs/dbraw/zinc/42/92/12/641429212.db2.gz OWHXKJJQBURFLJ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)(C)CCCC(=O)NC12CCN(CC1)C2 ZINC000913629141 641432826 /nfs/dbraw/zinc/43/28/26/641432826.db2.gz YLICTTVIYPPKEI-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)CC(CC(C)C)C(=O)Nc1c[nH]nn1 ZINC000935597043 641441366 /nfs/dbraw/zinc/44/13/66/641441366.db2.gz FFQTWTCMOALDBU-UHFFFAOYSA-N 0 1 238.335 2.452 20 0 BEADMN CC(C)(NC(=O)c1cccc(F)c1O)C(F)F ZINC000935744889 641474168 /nfs/dbraw/zinc/47/41/68/641474168.db2.gz YNVJPEWPTCXEOW-UHFFFAOYSA-N 0 1 247.216 2.305 20 0 BEADMN CN(CN1CCSC1=S)CC(C)(C)C ZINC000151939928 641487819 /nfs/dbraw/zinc/48/78/19/641487819.db2.gz BPGIGYOVSSCHJR-UHFFFAOYSA-N 0 1 232.418 2.256 20 0 BEADMN CCN1CCN(C(=O)CCC2(C)CC2)[C@H](C)C1 ZINC000935929944 641503068 /nfs/dbraw/zinc/50/30/68/641503068.db2.gz SLPCUJABRIDIFP-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@]1(C(=O)NOC/C=C\Cl)C=CCC1 ZINC000936057922 641523086 /nfs/dbraw/zinc/52/30/86/641523086.db2.gz FEFJCEGBSVJUTB-ISGFRBBESA-N 0 1 215.680 2.143 20 0 BEADMN CC(C)[C@@H](N)c1noc(Cc2ccc(F)cc2)n1 ZINC000041123836 641542389 /nfs/dbraw/zinc/54/23/89/641542389.db2.gz FRTWBMVXNNSMII-GFCCVEGCSA-N 0 1 249.289 2.455 20 0 BEADMN Clc1ncccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152750982 641641751 /nfs/dbraw/zinc/64/17/51/641641751.db2.gz YZXCQCBAWLLRGP-MXWKQRLJSA-N 0 1 238.718 2.145 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H](CC)C1 ZINC000159159914 641669732 /nfs/dbraw/zinc/66/97/32/641669732.db2.gz VJOYDIOSTRRUIC-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCCC[C@H](CC)C(=O)N1CCNCC1 ZINC000159392671 641681145 /nfs/dbraw/zinc/68/11/45/641681145.db2.gz VKRIJIXYAWPHKO-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000159788293 641701802 /nfs/dbraw/zinc/70/18/02/641701802.db2.gz VTYGNVYNXKXTAQ-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN C/C=C/C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000914530051 641731695 /nfs/dbraw/zinc/73/16/95/641731695.db2.gz HIQZSONFWWZTRD-ZWNMCFTASA-N 0 1 238.356 2.043 20 0 BEADMN CCCCCOC(=O)CCCCc1cn[nH]n1 ZINC000188296434 641752056 /nfs/dbraw/zinc/75/20/56/641752056.db2.gz KVPVSOLNKBJSKM-UHFFFAOYSA-N 0 1 239.319 2.251 20 0 BEADMN COc1cccc(-c2cc([C@@H](C)N)on2)c1OC ZINC000075789046 641769598 /nfs/dbraw/zinc/76/95/98/641769598.db2.gz RWSBVSXKQDKCHK-MRVPVSSYSA-N 0 1 248.282 2.379 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCCCCCC1 ZINC000188845480 641770354 /nfs/dbraw/zinc/77/03/54/641770354.db2.gz JHJYQQSTEHHYMY-UHFFFAOYSA-N 0 1 235.331 2.135 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(F)nc1 ZINC000189055230 641782894 /nfs/dbraw/zinc/78/28/94/641782894.db2.gz YTNSDJJAPYHXMO-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccc(F)nc1 ZINC000189055249 641784070 /nfs/dbraw/zinc/78/40/70/641784070.db2.gz YTNSDJJAPYHXMO-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN OC[C@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000189112059 641785772 /nfs/dbraw/zinc/78/57/72/641785772.db2.gz XUQYSKNVYUJJTG-ZDUSSCGKSA-N 0 1 246.285 2.044 20 0 BEADMN Cc1cncc(CNCc2ccc(F)nc2)c1 ZINC000189169874 641790693 /nfs/dbraw/zinc/79/06/93/641790693.db2.gz CSRWYNQDJCKTJE-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN COCC1CCN(Cc2ccc(F)nc2)CC1 ZINC000189331852 641802618 /nfs/dbraw/zinc/80/26/18/641802618.db2.gz GCJZITWWUSRKMQ-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN CCOC(=O)CC1CCN(C/C=C\Cl)CC1 ZINC000915360178 641821532 /nfs/dbraw/zinc/82/15/32/641821532.db2.gz WQUVUGYSWGDFGR-UTCJRWHESA-N 0 1 245.750 2.404 20 0 BEADMN CCCCN1CCN(C(=O)C2(C)CCC2)CC1 ZINC000949690080 641855299 /nfs/dbraw/zinc/85/52/99/641855299.db2.gz XLAOGYOULJSCDY-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@H](NCCC1CCCC1)c1nnnn1C1CC1 ZINC000190511611 641869884 /nfs/dbraw/zinc/86/98/84/641869884.db2.gz QMVZEVYXIPEMSX-JTQLQIEISA-N 0 1 249.362 2.239 20 0 BEADMN CC(C)[C@@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000190547918 641871707 /nfs/dbraw/zinc/87/17/07/641871707.db2.gz MWGZNUFBVMDBMP-SNVBAGLBSA-N 0 1 239.319 2.105 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(C)nc1C ZINC000268008928 641882044 /nfs/dbraw/zinc/88/20/44/641882044.db2.gz PEDGNKLGNNZMNA-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN COC[C@@H]1CCN(Cc2cccnc2Cl)C1 ZINC000077897115 641887481 /nfs/dbraw/zinc/88/74/81/641887481.db2.gz LWBLNUQAUWJFPR-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN CC[C@@H](CO)Sc1nc(-c2ccccc2)n[nH]1 ZINC000915979411 641890469 /nfs/dbraw/zinc/89/04/69/641890469.db2.gz ZWQONUFJQXIBDE-JTQLQIEISA-N 0 1 249.339 2.335 20 0 BEADMN CCCCCCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154008330 641939043 /nfs/dbraw/zinc/93/90/43/641939043.db2.gz RWSIRUXKYAFQNQ-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1nnc(SCCc2ccns2)[nH]1 ZINC000916515353 641940638 /nfs/dbraw/zinc/94/06/38/641940638.db2.gz KXOKELSEMUXKOC-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CCc1n[nH]c(SCCc2ccns2)n1 ZINC000916515353 641940641 /nfs/dbraw/zinc/94/06/41/641940641.db2.gz KXOKELSEMUXKOC-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000191795263 641942421 /nfs/dbraw/zinc/94/24/21/641942421.db2.gz RVYJEKRENDBGQJ-MVXISAMASA-N 0 1 238.375 2.141 20 0 BEADMN CCc1nnc(SC[C@H](COC)C(C)C)[nH]1 ZINC000916515256 641942563 /nfs/dbraw/zinc/94/25/63/641942563.db2.gz GWVOCLZCHCNMPM-VIFPVBQESA-N 0 1 243.376 2.378 20 0 BEADMN CCc1n[nH]c(SC[C@H](COC)C(C)C)n1 ZINC000916515256 641942568 /nfs/dbraw/zinc/94/25/68/641942568.db2.gz GWVOCLZCHCNMPM-VIFPVBQESA-N 0 1 243.376 2.378 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cc(C)ccc1C ZINC000916999117 641989520 /nfs/dbraw/zinc/98/95/20/641989520.db2.gz ARQWRUNNFMXWPI-GFCCVEGCSA-N 0 1 248.351 2.411 20 0 BEADMN CCOC(=O)[C@H](CC)SCc1[nH]ncc1C ZINC000917148681 642021603 /nfs/dbraw/zinc/02/16/03/642021603.db2.gz BNWKYQZZDUAGDU-JTQLQIEISA-N 0 1 242.344 2.293 20 0 BEADMN c1n[nH]nc1SC[C@H]1CCC2(CCC2)CO1 ZINC000917174569 642026853 /nfs/dbraw/zinc/02/68/53/642026853.db2.gz YQHGMHCPOZSXGQ-SECBINFHSA-N 0 1 239.344 2.246 20 0 BEADMN Cc1cn[nH]c1CS[C@H]1CCO[C@H]1C ZINC000917351283 642050283 /nfs/dbraw/zinc/05/02/83/642050283.db2.gz WRQSVQIKGAKYCG-WPRPVWTQSA-N 0 1 212.318 2.129 20 0 BEADMN CCO[C@@H](C)c1nccn1Cc1[nH]c(C)nc1C ZINC000917364706 642050882 /nfs/dbraw/zinc/05/08/82/642050882.db2.gz XNHZXLIFLJJASP-JTQLQIEISA-N 0 1 248.330 2.369 20 0 BEADMN CCO[C@H](C)c1nccn1Cc1[nH]c(C)nc1C ZINC000917364707 642051787 /nfs/dbraw/zinc/05/17/87/642051787.db2.gz XNHZXLIFLJJASP-SNVBAGLBSA-N 0 1 248.330 2.369 20 0 BEADMN Cc1cn[nH]c1CS[C@@H]1CCCOC1 ZINC000917427070 642062137 /nfs/dbraw/zinc/06/21/37/642062137.db2.gz ZNGRYTBFTUPFMW-SECBINFHSA-N 0 1 212.318 2.130 20 0 BEADMN CCCN1CCN(C(=O)C=C2CCCC2)CC1 ZINC000917575921 642089749 /nfs/dbraw/zinc/08/97/49/642089749.db2.gz IPJWZOUVCRKTAK-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cccc(C)c1 ZINC000917796112 642123570 /nfs/dbraw/zinc/12/35/70/642123570.db2.gz PUPVCJVACDDQMI-LLVKDONJSA-N 0 1 234.324 2.103 20 0 BEADMN CC(C)N1CCC[C@@H]1c1nc(-c2cocn2)no1 ZINC000924013821 642160916 /nfs/dbraw/zinc/16/09/16/642160916.db2.gz SJRGCBWOHVGEGX-SNVBAGLBSA-N 0 1 248.286 2.270 20 0 BEADMN CCc1nnc(SCc2[nH]ncc2C)s1 ZINC000918049100 642162918 /nfs/dbraw/zinc/16/29/18/642162918.db2.gz JYZSKAVUNHKALJ-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCCCOC(=O)CSCc1[nH]ncc1C ZINC000918529574 642222157 /nfs/dbraw/zinc/22/21/57/642222157.db2.gz JGEAMXWIWGILTL-UHFFFAOYSA-N 0 1 242.344 2.295 20 0 BEADMN CN(CC1CC1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000919941845 642410430 /nfs/dbraw/zinc/41/04/30/642410430.db2.gz WJPCEQZJBFSSNY-CQSZACIVSA-N 0 1 244.338 2.259 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1cnc[nH]1 ZINC000188566381 642415675 /nfs/dbraw/zinc/41/56/75/642415675.db2.gz DMUAXHUOXBAGJV-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cn[nH]c1CNc1cnn(C(C)(C)C)c1 ZINC000352796917 642427700 /nfs/dbraw/zinc/42/77/00/642427700.db2.gz LDQROPVFXYVPOM-UHFFFAOYSA-N 0 1 233.319 2.282 20 0 BEADMN CC(C)(C)c1ccnc(SCc2c[nH]nn2)n1 ZINC000920093059 642434651 /nfs/dbraw/zinc/43/46/51/642434651.db2.gz LRQOAAGUXAHBQB-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN C[C@H](n1[nH]c2c(c1=O)CCC2)C(C)(C)C ZINC000400357103 642482898 /nfs/dbraw/zinc/48/28/98/642482898.db2.gz WEZKZXTYUFSCFL-DTWKUNHWSA-N 0 1 208.305 2.419 20 0 BEADMN CC=CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000051042295 642514126 /nfs/dbraw/zinc/51/41/26/642514126.db2.gz RNKUEHCHNOGMJC-JVBZPZKUSA-N 0 1 229.283 2.316 20 0 BEADMN C[C@H](NCc1cnn(CCF)c1)c1cccnc1 ZINC000921490276 642628663 /nfs/dbraw/zinc/62/86/63/642628663.db2.gz DNJWIGXATOWEFW-NSHDSACASA-N 0 1 248.305 2.098 20 0 BEADMN CCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000305076454 642636783 /nfs/dbraw/zinc/63/67/83/642636783.db2.gz OBGOUXAZJKNOFG-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CCC[N@@H+](CC)Cc1cccc(C(=O)[O-])n1 ZINC000233019168 642642267 /nfs/dbraw/zinc/64/22/67/642642267.db2.gz UOJRZPQAIZSBMX-UHFFFAOYSA-N 0 1 222.288 2.012 20 0 BEADMN CN(Cc1cc2n(n1)CCCC2)C1CCC1 ZINC000649542019 642673941 /nfs/dbraw/zinc/67/39/41/642673941.db2.gz RRWVEAAJSFVNSM-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CC(C)[C@H](C(=O)OCCF)N1CCCCC1 ZINC000175467307 642687465 /nfs/dbraw/zinc/68/74/65/642687465.db2.gz NSOQXPCIGAWVEL-LLVKDONJSA-N 0 1 231.311 2.010 20 0 BEADMN CN(CC1CC1)CN1Cc2ccc(F)cc2C1=O ZINC000179853627 642749722 /nfs/dbraw/zinc/74/97/22/642749722.db2.gz UELSDJMPLGAMIW-UHFFFAOYSA-N 0 1 248.301 2.081 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2[C@@H](C)O)s1 ZINC000180484410 642799497 /nfs/dbraw/zinc/79/94/97/642799497.db2.gz VZLNYXGUDUNLGI-MNOVXSKESA-N 0 1 240.372 2.187 20 0 BEADMN CCCCC[C@@H](CC)C(=O)C(C#N)C(=O)NC ZINC000181041880 642835034 /nfs/dbraw/zinc/83/50/34/642835034.db2.gz SVAANOUXLUUHDN-GHMZBOCLSA-N 0 1 238.331 2.048 20 0 BEADMN CC(C)=CCN1CC[C@@H](NC(=O)c2ccoc2)C1 ZINC001010175818 642854377 /nfs/dbraw/zinc/85/43/77/642854377.db2.gz HDXRTCLPCBOAIF-CYBMUJFWSA-N 0 1 248.326 2.050 20 0 BEADMN CC(C)COC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000181433695 642872183 /nfs/dbraw/zinc/87/21/83/642872183.db2.gz UTFKERSUIMTNAG-LLVKDONJSA-N 0 1 239.359 2.449 20 0 BEADMN CCCCC[C@H](C)NCc1nonc1C ZINC000069794973 642908223 /nfs/dbraw/zinc/90/82/23/642908223.db2.gz KLALTHKJISPBJJ-VIFPVBQESA-N 0 1 211.309 2.436 20 0 BEADMN CC(C)OCCOC(=O)c1cccc2[nH]ncc21 ZINC000070034675 642958034 /nfs/dbraw/zinc/95/80/34/642958034.db2.gz ADCQNWINLVICFV-UHFFFAOYSA-N 0 1 248.282 2.145 20 0 BEADMN Cc1nonc1CN[C@@H](C)CCc1ccccc1 ZINC000070261785 643008560 /nfs/dbraw/zinc/00/85/60/643008560.db2.gz FAXAGRLVCFHAEP-NSHDSACASA-N 0 1 245.326 2.489 20 0 BEADMN CCCCOC(=O)CN(CC1CC1)CC1CC1 ZINC000070505748 643029400 /nfs/dbraw/zinc/02/94/00/643029400.db2.gz JXGROCDWQAJGGT-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000070565421 643037563 /nfs/dbraw/zinc/03/75/63/643037563.db2.gz GARLFEGHAIYADT-HBNTYKKESA-N 0 1 211.305 2.114 20 0 BEADMN Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)[O-] ZINC000090273457 643104537 /nfs/dbraw/zinc/10/45/37/643104537.db2.gz GTGYINBSXQECQJ-NSHDSACASA-N 0 1 248.326 2.480 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000252889425 643137367 /nfs/dbraw/zinc/13/73/67/643137367.db2.gz DDVDOISKMFGMQI-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccc(CN2CCO[C@H](C)CC2)nc1 ZINC000932339761 643144484 /nfs/dbraw/zinc/14/44/84/643144484.db2.gz AUFIVMIPIJVKRH-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccc(-n2cc(CNC(C)C)nn2)cc1 ZINC000090299274 643153615 /nfs/dbraw/zinc/15/36/15/643153615.db2.gz YNGFXEJCTZDUOB-UHFFFAOYSA-N 0 1 230.315 2.074 20 0 BEADMN C[C@H]1c2cccn2CCN1CCCCCCO ZINC000175741724 643153652 /nfs/dbraw/zinc/15/36/52/643153652.db2.gz UWRCYHFDBRHILV-ZDUSSCGKSA-N 0 1 236.359 2.417 20 0 BEADMN Cc1c(F)cccc1-n1cc(CNC(C)C)nn1 ZINC000090300161 643155039 /nfs/dbraw/zinc/15/50/39/643155039.db2.gz QEROCAAJHYMSGM-UHFFFAOYSA-N 0 1 248.305 2.213 20 0 BEADMN O=C(Nc1ccc(O)cc1)c1c(O)cccc1F ZINC000184419387 643209831 /nfs/dbraw/zinc/20/98/31/643209831.db2.gz XGMAWDBOSYSNCU-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN Cc1cc(CNCc2c[nH]cn2)ccc1F ZINC000082394044 643309544 /nfs/dbraw/zinc/30/95/44/643309544.db2.gz HZPWSECKGOJHNL-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN c1ncc(CN[C@H]2CSCc3ccccc32)[nH]1 ZINC000112344122 643333481 /nfs/dbraw/zinc/33/34/81/643333481.db2.gz RVENGTJNRVCZQB-ZDUSSCGKSA-N 0 1 245.351 2.487 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCCC2 ZINC000082547064 643339832 /nfs/dbraw/zinc/33/98/32/643339832.db2.gz XXUZAXRBSCVFIU-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000804812313 643372899 /nfs/dbraw/zinc/37/28/99/643372899.db2.gz MIVJYAFFPQQDPY-FCZSHJHJSA-N 0 1 236.319 2.037 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000804812315 643373765 /nfs/dbraw/zinc/37/37/65/643373765.db2.gz MIVJYAFFPQQDPY-FLOXNTQESA-N 0 1 236.319 2.037 20 0 BEADMN CC/C=C\CN[C@@H]1CCCn2ccnc21 ZINC000655773102 643426476 /nfs/dbraw/zinc/42/64/76/643426476.db2.gz QCCLVJANVVMGNH-DLRQAJBASA-N 0 1 205.305 2.274 20 0 BEADMN Cc1cccc(CNCc2cnn(CCF)c2)c1 ZINC000921510227 643443959 /nfs/dbraw/zinc/44/39/59/643443959.db2.gz PYURCQXGZMVRSH-UHFFFAOYSA-N 0 1 247.317 2.451 20 0 BEADMN C[C@H](NCc1cccn1C)c1cncs1 ZINC000268935340 643460887 /nfs/dbraw/zinc/46/08/87/643460887.db2.gz NASWYFRPAXQFIE-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@H]2CCCN2C)cc1C ZINC000733870304 643476330 /nfs/dbraw/zinc/47/63/30/643476330.db2.gz QGJRXAQMSITFRL-CQSZACIVSA-N 0 1 246.354 2.360 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992256 643492991 /nfs/dbraw/zinc/49/29/91/643492991.db2.gz KZFONDMPNHRFAD-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000047247891 643579281 /nfs/dbraw/zinc/57/92/81/643579281.db2.gz ZXEDCBJQWLIISD-VXGBXAGGSA-N 0 1 248.282 2.414 20 0 BEADMN CN(C/C=C/Cl)C[C@H]1CCCCO1 ZINC000050075151 643587721 /nfs/dbraw/zinc/58/77/21/643587721.db2.gz FZWRXAOTVHWKDI-DFVUYQKZSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638409 643601736 /nfs/dbraw/zinc/60/17/36/643601736.db2.gz IZOAXBPRGWUTPW-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662468 643605736 /nfs/dbraw/zinc/60/57/36/643605736.db2.gz CLDFKUQDBLCEET-BXKDBHETSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662468 643605738 /nfs/dbraw/zinc/60/57/38/643605738.db2.gz CLDFKUQDBLCEET-BXKDBHETSA-N 0 1 249.310 2.452 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@H](C)C1 ZINC000084347455 643658101 /nfs/dbraw/zinc/65/81/01/643658101.db2.gz QIELATDFRQNQST-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN COC(CN[C@H](C)c1ccsc1)OC ZINC000050343527 643686534 /nfs/dbraw/zinc/68/65/34/643686534.db2.gz XJKFJJMLQSAOHT-MRVPVSSYSA-N 0 1 215.318 2.018 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000085161436 643688709 /nfs/dbraw/zinc/68/87/09/643688709.db2.gz GMOQXSKWLHHLQL-QWHCGFSZSA-N 0 1 237.347 2.121 20 0 BEADMN CCOC(=O)/C=C/CN1CCC(C(F)F)CC1 ZINC000307861832 643689184 /nfs/dbraw/zinc/68/91/84/643689184.db2.gz WDHKJGLDZDFEHB-ONEGZZNKSA-N 0 1 247.285 2.083 20 0 BEADMN Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)cnc1C ZINC000921877329 643815139 /nfs/dbraw/zinc/81/51/39/643815139.db2.gz YQQZSYHMJAQUQH-ZDUSSCGKSA-N 0 1 249.358 2.223 20 0 BEADMN CCCCCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000077313500 643840274 /nfs/dbraw/zinc/84/02/74/643840274.db2.gz BBBLWNNXYMMVOR-VXGBXAGGSA-N 0 1 249.420 2.320 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(C)cnc1Cl ZINC000922264030 643934813 /nfs/dbraw/zinc/93/48/13/643934813.db2.gz MWPZHIJBIAWOJN-PWSUYJOCSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cn(C2CCC2)nn1 ZINC000922510726 644009402 /nfs/dbraw/zinc/00/94/02/644009402.db2.gz WAPORJWYSBNWQF-WBMYTEFPSA-N 0 1 246.358 2.137 20 0 BEADMN C(=NN=c1[nH]c2ccccc2[nH]1)c1ccncc1 ZINC000012341094 644027647 /nfs/dbraw/zinc/02/76/47/644027647.db2.gz SNMXNQRKRHANMS-UHFFFAOYSA-N 0 1 237.266 2.404 20 0 BEADMN CC(C)(/C=C\Cl)NCc1ccncc1N ZINC000922645825 644050907 /nfs/dbraw/zinc/05/09/07/644050907.db2.gz WLAVBKGSWYIVQS-PLNGDYQASA-N 0 1 225.723 2.285 20 0 BEADMN Cc1nn(C)cc1CNC(C)(C)/C=C/Cl ZINC000922648833 644052596 /nfs/dbraw/zinc/05/25/96/644052596.db2.gz RDXCPUBAOTWIIN-AATRIKPKSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1c(CNC(C)(C)/C=C\Cl)cnn1C ZINC000922648280 644053484 /nfs/dbraw/zinc/05/34/84/644053484.db2.gz GZOUVXIUMNBHMI-WAYWQWQTSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000321143190 644075039 /nfs/dbraw/zinc/07/50/39/644075039.db2.gz YOABKMNKWVTXTA-NSHDSACASA-N 0 1 223.272 2.027 20 0 BEADMN Cc1cnc(CNCC2(F)CC2)c(C)c1 ZINC000922741683 644082758 /nfs/dbraw/zinc/08/27/58/644082758.db2.gz PSTZBERAIVSNCO-UHFFFAOYSA-N 0 1 208.280 2.290 20 0 BEADMN Cc1cc(CNC[C@]2(C)CCCCO2)on1 ZINC000922815473 644106181 /nfs/dbraw/zinc/10/61/81/644106181.db2.gz KAAYWRWEKGJAOG-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN Cc1cnc(CN[C@@H]2CCS[C@H](C)C2)o1 ZINC000922834611 644112088 /nfs/dbraw/zinc/11/20/88/644112088.db2.gz VTFHYDILLVCPDL-NXEZZACHSA-N 0 1 226.345 2.357 20 0 BEADMN COCc1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000192801558 644185448 /nfs/dbraw/zinc/18/54/48/644185448.db2.gz SDQIIDIAKGLKSM-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CCCCN1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000951139969 644196245 /nfs/dbraw/zinc/19/62/45/644196245.db2.gz VHGJMVFFEHXKLL-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCc1onc(C)c1CN[C@H]1CO[C@H](CC)C1 ZINC000922982184 644214220 /nfs/dbraw/zinc/21/42/20/644214220.db2.gz OWRDJLQZTWCINL-GHMZBOCLSA-N 0 1 238.331 2.203 20 0 BEADMN Cc1nc(COC(=O)[C@H]2CCC=CCCC2)n[nH]1 ZINC000923036162 644243407 /nfs/dbraw/zinc/24/34/07/644243407.db2.gz PYIYUCNYNKMAJF-NSHDSACASA-N 0 1 249.314 2.293 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000080467859 644264080 /nfs/dbraw/zinc/26/40/80/644264080.db2.gz MUOXYEADLSJQGN-BASWHVEKSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)[N@@H+](CCc1cccc(F)c1)CC(=O)[O-] ZINC000923243137 644299272 /nfs/dbraw/zinc/29/92/72/644299272.db2.gz CHUIIYSLYHKMMT-UHFFFAOYSA-N 0 1 239.290 2.163 20 0 BEADMN CC[C@H]1CN(CCc2cccs2)CCO1 ZINC000195313231 644373619 /nfs/dbraw/zinc/37/36/19/644373619.db2.gz ZYOWQVMXXZWGAD-NSHDSACASA-N 0 1 225.357 2.401 20 0 BEADMN Cc1ccsc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412239 644404416 /nfs/dbraw/zinc/40/44/16/644404416.db2.gz LHKSEIFRFRITIQ-GFCCVEGCSA-N 0 1 239.340 2.353 20 0 BEADMN C[C@H]1CCC[C@H](C[N@@H+](C)CCC(=O)[O-])C1 ZINC000084347445 644422750 /nfs/dbraw/zinc/42/27/50/644422750.db2.gz MVHHIRRYJSHFAC-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN CCCCCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000086257866 644457893 /nfs/dbraw/zinc/45/78/93/644457893.db2.gz YWVNBWNDCKYKCU-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086334833 644461157 /nfs/dbraw/zinc/46/11/57/644461157.db2.gz VYPXIMBCUSYSAA-ZETCQYMHSA-N 0 1 245.731 2.308 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1cccc(O)c1 ZINC000086814373 644470956 /nfs/dbraw/zinc/47/09/56/644470956.db2.gz WGVVBKPTCQFMTG-ZDUSSCGKSA-N 0 1 249.310 2.221 20 0 BEADMN Cc1nc(CNC[C@H]2CCCCO2)sc1C ZINC000087375788 644492874 /nfs/dbraw/zinc/49/28/74/644492874.db2.gz LIIBJOCYHNGYNH-LLVKDONJSA-N 0 1 240.372 2.419 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)CC[C@H]1C ZINC000245448980 644525505 /nfs/dbraw/zinc/52/55/05/644525505.db2.gz NIMDMEWTGBDPDR-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)CC[C@@H]1C ZINC000245448978 644526505 /nfs/dbraw/zinc/52/65/05/644526505.db2.gz NIMDMEWTGBDPDR-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000245742043 644538448 /nfs/dbraw/zinc/53/84/48/644538448.db2.gz LYJLQERAEPHRMS-FRRDWIJNSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC[C@H](CC)C2)C1 ZINC000245869755 644548803 /nfs/dbraw/zinc/54/88/03/644548803.db2.gz NKNYUVZIPNYVMM-STQMWFEESA-N 0 1 238.375 2.324 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@H](C)C1CC1 ZINC000246514424 644591127 /nfs/dbraw/zinc/59/11/27/644591127.db2.gz BLTFXSNBEGWFRA-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1CCN(Cn2c3ccccc3oc2=O)[C@H]1C ZINC000246700551 644602163 /nfs/dbraw/zinc/60/21/63/644602163.db2.gz FDOVGTBAJORIDF-MNOVXSKESA-N 0 1 246.310 2.282 20 0 BEADMN CC(C)[C@@H]1CCCN([C@H]2CCOC2=O)CC1 ZINC000246714434 644602819 /nfs/dbraw/zinc/60/28/19/644602819.db2.gz LWTAOWRLWOZZIZ-NEPJUHHUSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1cccnc1Cl ZINC000090774222 644605656 /nfs/dbraw/zinc/60/56/56/644605656.db2.gz BCSCDFUVVKQPLV-RKDXNWHRSA-N 0 1 226.707 2.175 20 0 BEADMN Cc1cc(CNC[C@@H]2Cc3ccccc32)no1 ZINC000090976592 644608627 /nfs/dbraw/zinc/60/86/27/644608627.db2.gz MPELWMVGNKHDAS-LBPRGKRZSA-N 0 1 228.295 2.413 20 0 BEADMN CCc1nc(COC(=O)CC2=CCCCC2)n[nH]1 ZINC000754808884 644611412 /nfs/dbraw/zinc/61/14/12/644611412.db2.gz DFNQGECIZNAUJW-UHFFFAOYSA-N 0 1 249.314 2.301 20 0 BEADMN OCC[C@H](NCc1nc2ccccc2o1)C1CC1 ZINC000763059763 644655540 /nfs/dbraw/zinc/65/55/40/644655540.db2.gz RODKHWRBHSYNRS-NSHDSACASA-N 0 1 246.310 2.078 20 0 BEADMN CN1CCN(C(=O)C=C2CCCC2)C(C)(C)C1 ZINC000766624037 644668624 /nfs/dbraw/zinc/66/86/24/644668624.db2.gz YPPGSCMJSSXFCP-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000248369807 644674297 /nfs/dbraw/zinc/67/42/97/644674297.db2.gz WSAAGWCQEUFQEE-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 ZINC000248560072 644688129 /nfs/dbraw/zinc/68/81/29/644688129.db2.gz MKAKKJXEICAODL-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094525614 644718336 /nfs/dbraw/zinc/71/83/36/644718336.db2.gz QFARXBSXHUYBRZ-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000780008793 644721816 /nfs/dbraw/zinc/72/18/16/644721816.db2.gz VYQLCBXQVRMDAK-NQJDNNLISA-N 0 1 238.375 2.284 20 0 BEADMN CCN(Cc1cnc[nH]1)c1ccccc1 ZINC000095562706 644756595 /nfs/dbraw/zinc/75/65/95/644756595.db2.gz ZAOIDGNRHJWXTG-UHFFFAOYSA-N 0 1 201.273 2.436 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1C[C@@H]1C(C)C)N(C)C ZINC000798855088 644825923 /nfs/dbraw/zinc/82/59/23/644825923.db2.gz MLOCUDRRCXSCNC-UPJWGTAASA-N 0 1 241.375 2.408 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1C[C@H]1C(C)C)N(C)C ZINC000798855080 644826484 /nfs/dbraw/zinc/82/64/84/644826484.db2.gz MLOCUDRRCXSCNC-AGIUHOORSA-N 0 1 241.375 2.408 20 0 BEADMN CC[C@H](C)[C@H](N[C@H]1CCC[C@@H]1C)C(=O)OC ZINC000251937195 644832417 /nfs/dbraw/zinc/83/24/17/644832417.db2.gz SBBPRHKRQVDIRS-BJDJZHNGSA-N 0 1 227.348 2.352 20 0 BEADMN OCC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000303742413 644841981 /nfs/dbraw/zinc/84/19/81/644841981.db2.gz QLBRECSQASEEDT-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000303742415 644842813 /nfs/dbraw/zinc/84/28/13/644842813.db2.gz QLBRECSQASEEDT-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN CCCCCCN1CCN(C(=O)OCC)CC1 ZINC000096969632 644857469 /nfs/dbraw/zinc/85/74/69/644857469.db2.gz UELJYSSDPBWUDX-UHFFFAOYSA-N 0 1 242.363 2.341 20 0 BEADMN C[C@@H](O)c1ncc(CN2C3CCC2CC3)s1 ZINC000809542435 644889655 /nfs/dbraw/zinc/88/96/55/644889655.db2.gz GQKBYQWHCULRRF-XNWIYYODSA-N 0 1 238.356 2.323 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CCN1CCCC1CC1 ZINC000813337218 644939351 /nfs/dbraw/zinc/93/93/51/644939351.db2.gz NUAVFXJPRGSKBO-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCC1CC1 ZINC000813337220 644939392 /nfs/dbraw/zinc/93/93/92/644939392.db2.gz NUAVFXJPRGSKBO-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN CCC/C=C\C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837009557 645185478 /nfs/dbraw/zinc/18/54/78/645185478.db2.gz XYNSTQXIVGRJAP-WSROAFLRSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H](NCC1(CF)CCOCC1)c1ncco1 ZINC000926526475 645254465 /nfs/dbraw/zinc/25/44/65/645254465.db2.gz FSJBLSBQEGCAMX-SNVBAGLBSA-N 0 1 242.294 2.092 20 0 BEADMN CC[C@H](N[C@H]1CCCc2oc(C)nc21)[C@H](C)O ZINC000926524450 645254893 /nfs/dbraw/zinc/25/48/93/645254893.db2.gz DLTDAWXKAPCOID-LSJOCFKGSA-N 0 1 238.331 2.109 20 0 BEADMN CCCc1ncc(CN[C@H]2COC[C@H]2CC)o1 ZINC000926536888 645262647 /nfs/dbraw/zinc/26/26/47/645262647.db2.gz HXWKIQMPNYEWLR-PWSUYJOCSA-N 0 1 238.331 2.142 20 0 BEADMN CCNCc1nc(-c2ccc(Cl)o2)no1 ZINC000843223266 645271276 /nfs/dbraw/zinc/27/12/76/645271276.db2.gz NYVFFXCIKCLRCD-UHFFFAOYSA-N 0 1 227.651 2.093 20 0 BEADMN Cc1nonc1[C@H](C)NCCC1CC(F)(F)C1 ZINC000926557171 645280080 /nfs/dbraw/zinc/28/00/80/645280080.db2.gz IWWAGSMPHSZJAF-ZETCQYMHSA-N 0 1 245.273 2.464 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000926568053 645287084 /nfs/dbraw/zinc/28/70/84/645287084.db2.gz KDJHOYZSXBAUQU-IRCOFANPSA-N 0 1 234.347 2.308 20 0 BEADMN COc1ncncc1CN1CCCCCCC1 ZINC000843391726 645287671 /nfs/dbraw/zinc/28/76/71/645287671.db2.gz WRRQRIHIGFDMEN-UHFFFAOYSA-N 0 1 235.331 2.251 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000926570020 645290828 /nfs/dbraw/zinc/29/08/28/645290828.db2.gz WJLCZOFHTBUSBI-FBIMIBRVSA-N 0 1 223.320 2.463 20 0 BEADMN CC(C)n1cc([C@H](C)N[C@H]2CC2(C)C)nn1 ZINC000926580090 645298753 /nfs/dbraw/zinc/29/87/53/645298753.db2.gz LHKYQHGVVSTCAL-ONGXEEELSA-N 0 1 222.336 2.308 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000926613325 645313214 /nfs/dbraw/zinc/31/32/14/645313214.db2.gz DHHHTOONXPIDEH-TVYUQYBPSA-N 0 1 248.374 2.446 20 0 BEADMN CC[C@H]1CN(CCC(=O)C2CC2)[C@@H](CC)CO1 ZINC000844384224 645325698 /nfs/dbraw/zinc/32/56/98/645325698.db2.gz DHNBEYWYVFQFMV-STQMWFEESA-N 0 1 239.359 2.245 20 0 BEADMN FC1(F)C[C@@]12CCCN(Cc1cc[nH]n1)C2 ZINC000844445028 645334665 /nfs/dbraw/zinc/33/46/65/645334665.db2.gz WTADGSMXEHGYAX-SNVBAGLBSA-N 0 1 227.258 2.031 20 0 BEADMN C[C@@H]1C[C@@H](NC2(C3CCC3)CC2)c2ncnn21 ZINC000926650297 645336631 /nfs/dbraw/zinc/33/66/31/645336631.db2.gz USVDWXZIYJORLS-MWLCHTKSSA-N 0 1 232.331 2.206 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844693052 645345103 /nfs/dbraw/zinc/34/51/03/645345103.db2.gz RNLXHVQXALLDJB-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@@H](C)CN(C)CN1C(=O)CC12CCCC2 ZINC000844693052 645345115 /nfs/dbraw/zinc/34/51/15/645345115.db2.gz RNLXHVQXALLDJB-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN C[C@@H]1OC[C@@H](NCc2noc3ccccc32)[C@@H]1C ZINC000926672626 645347083 /nfs/dbraw/zinc/34/70/83/645347083.db2.gz HJDGMUNROIDYKT-GBIKHYSHSA-N 0 1 246.310 2.341 20 0 BEADMN CCn1cc(CNC2CC3(C2)CCCC3)nn1 ZINC000926694851 645362391 /nfs/dbraw/zinc/36/23/91/645362391.db2.gz UBHLBHRAZRKSQZ-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@H]1C[C@H](NCCC(C)(C)F)c2ncnn21 ZINC000926703599 645369065 /nfs/dbraw/zinc/36/90/65/645369065.db2.gz UQFLZDPKCBNZCX-IUCAKERBSA-N 0 1 226.299 2.012 20 0 BEADMN C[C@H](NCCCC1CCC1)c1cc(CO)on1 ZINC000926706711 645373656 /nfs/dbraw/zinc/37/36/56/645373656.db2.gz WTQGMLXTXNVZHW-JTQLQIEISA-N 0 1 238.331 2.398 20 0 BEADMN CCSC1(CN[C@H](C)c2nonc2C)CC1 ZINC000926709268 645373680 /nfs/dbraw/zinc/37/36/80/645373680.db2.gz GBFWICXOQPPRLL-MRVPVSSYSA-N 0 1 241.360 2.314 20 0 BEADMN COc1cc([C@H](C)NCC2=CCCC2)on1 ZINC000926717881 645382146 /nfs/dbraw/zinc/38/21/46/645382146.db2.gz WFHXMBOJAAXEBN-VIFPVBQESA-N 0 1 222.288 2.444 20 0 BEADMN C[C@H](N[C@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926720389 645382998 /nfs/dbraw/zinc/38/29/98/645382998.db2.gz AFKZNCMQPGLAGX-QPUJVOFHSA-N 0 1 224.304 2.006 20 0 BEADMN C[C@@H]1C[C@H](N[C@]2(C)CC2(C)C)c2ncnn21 ZINC000926721441 645384191 /nfs/dbraw/zinc/38/41/91/645384191.db2.gz JBEUYUJEHIWECK-VDDIYKPWSA-N 0 1 220.320 2.062 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2cc(CO)on2)CC1 ZINC000926723737 645386305 /nfs/dbraw/zinc/38/63/05/645386305.db2.gz FLGLRPDSIGYDDF-JTQLQIEISA-N 0 1 238.331 2.396 20 0 BEADMN C[C@H](NCc1cocn1)[C@](C)(O)c1ccccc1 ZINC000846045725 645392292 /nfs/dbraw/zinc/39/22/92/645392292.db2.gz VWIRZWODNBKLIU-FZMZJTMJSA-N 0 1 246.310 2.060 20 0 BEADMN C[C@@H](NCC[C@H]1CCCOC1)c1ncco1 ZINC000926745162 645401047 /nfs/dbraw/zinc/40/10/47/645401047.db2.gz FJBCMNCAOZPYOO-GHMZBOCLSA-N 0 1 224.304 2.142 20 0 BEADMN C/C=C/CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926769737 645417121 /nfs/dbraw/zinc/41/71/21/645417121.db2.gz KBEIYPPFPHQRIU-PGLGOXFNSA-N 0 1 219.332 2.446 20 0 BEADMN C[C@H](NCC[C@@H]1CCSC1)c1ncco1 ZINC000926780246 645427032 /nfs/dbraw/zinc/42/70/32/645427032.db2.gz YEERHYSZRJWCHF-VHSXEESVSA-N 0 1 226.345 2.468 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@H]1CCCS1 ZINC000926788673 645433493 /nfs/dbraw/zinc/43/34/93/645433493.db2.gz BFIGSJZLZUZTEQ-PSASIEDQSA-N 0 1 241.360 2.314 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccnnc1 ZINC000926798969 645437964 /nfs/dbraw/zinc/43/79/64/645437964.db2.gz PIAIREILZZNVRZ-NBEYISGCSA-N 0 1 231.221 2.078 20 0 BEADMN C[C@H](NCCC[C@H]1C=CCC1)c1cnn(C)n1 ZINC000926822376 645443722 /nfs/dbraw/zinc/44/37/22/645443722.db2.gz CIMHGIGQHALTKA-RYUDHWBXSA-N 0 1 234.347 2.212 20 0 BEADMN C[C@H](NCc1ncc(Cl)s1)C(C)(C)CO ZINC000926830424 645446811 /nfs/dbraw/zinc/44/68/11/645446811.db2.gz UDFYBGWXYRUSLR-ZETCQYMHSA-N 0 1 248.779 2.293 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@]1(C)CC1(C)C ZINC000926840652 645451092 /nfs/dbraw/zinc/45/10/92/645451092.db2.gz FAEAWGIOWSHQIJ-PELKAZGASA-N 0 1 223.320 2.465 20 0 BEADMN C=C/C=C\CCN[C@H](C)c1nn(CC)nc1C ZINC000926843733 645453636 /nfs/dbraw/zinc/45/36/36/645453636.db2.gz JCABERWVLXYQFD-SKVAFPRGSA-N 0 1 234.347 2.389 20 0 BEADMN C=C/C=C/CCN[C@@H](C)c1nonc1C ZINC000926844305 645455556 /nfs/dbraw/zinc/45/55/56/645455556.db2.gz JSBVHSLHVSEEOQ-CYNONHLPSA-N 0 1 207.277 2.161 20 0 BEADMN Cc1ccc(CN[C@H]2COC[C@@H]2C)c(Cl)n1 ZINC000926849718 645456872 /nfs/dbraw/zinc/45/68/72/645456872.db2.gz FTEPSZWIXYYTGZ-KWQFWETISA-N 0 1 240.734 2.168 20 0 BEADMN CSC1CC(NC2(c3ncccn3)CCC2)C1 ZINC000926852160 645457247 /nfs/dbraw/zinc/45/72/47/645457247.db2.gz ODPDCDXBVQXOQE-UHFFFAOYSA-N 0 1 249.383 2.339 20 0 BEADMN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1cn(C)cn1 ZINC000926870391 645467017 /nfs/dbraw/zinc/46/70/17/645467017.db2.gz AWJQGRDDCOGHBD-VXGBXAGGSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@H](NC[C@]12C[C@H]1CCCC2)c1cnn(C)n1 ZINC000926878096 645470364 /nfs/dbraw/zinc/47/03/64/645470364.db2.gz JVEVCUTYCUUOPF-LOWVWBTDSA-N 0 1 234.347 2.046 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC1CC=CC1 ZINC000926948324 645496117 /nfs/dbraw/zinc/49/61/17/645496117.db2.gz DCQOVHJJJLAIEG-SECBINFHSA-N 0 1 221.304 2.385 20 0 BEADMN C[C@@H](NC[C@@]1(C)CCCCO1)c1ncc[nH]1 ZINC000927014671 645514666 /nfs/dbraw/zinc/51/46/66/645514666.db2.gz PRZXHDHKULSUMZ-ZYHUDNBSSA-N 0 1 223.320 2.020 20 0 BEADMN CCC[C@H](O)CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000927020415 645519577 /nfs/dbraw/zinc/51/95/77/645519577.db2.gz JOYATYDBKXXLBP-SRVKXCTJSA-N 0 1 237.347 2.030 20 0 BEADMN Cc1n[nH]c(C(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c1C ZINC000927497933 645629225 /nfs/dbraw/zinc/62/92/25/645629225.db2.gz ZBFUNDCAKOBWKU-QJPTWQEYSA-N 0 1 247.342 2.193 20 0 BEADMN CCC[C@H](C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927703971 645641268 /nfs/dbraw/zinc/64/12/68/645641268.db2.gz MUZIAXOFGJGGAF-NSHDSACASA-N 0 1 249.358 2.200 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859326641 645682618 /nfs/dbraw/zinc/68/26/18/645682618.db2.gz APOKRACERXFKBR-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CCCONC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862103166 645694457 /nfs/dbraw/zinc/69/44/57/645694457.db2.gz DBLIHWKOGIGDGE-ZDUSSCGKSA-N 0 1 249.310 2.183 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1[C@H](C)C[C@@H]1C ZINC000930273495 645719370 /nfs/dbraw/zinc/71/93/70/645719370.db2.gz PRSIBXCRNQJYFG-MMWGEVLESA-N 0 1 213.321 2.057 20 0 BEADMN CC(C)(F)CNCc1ccnc(F)c1 ZINC000865652704 645720797 /nfs/dbraw/zinc/72/07/97/645720797.db2.gz IQMZPRIRONKRKR-UHFFFAOYSA-N 0 1 200.232 2.058 20 0 BEADMN c1c(CN[C@H]2COC3(CCC3)C2)onc1C1CC1 ZINC000877628647 645804405 /nfs/dbraw/zinc/80/44/05/645804405.db2.gz KUOIRHCPTQNGBH-LLVKDONJSA-N 0 1 248.326 2.353 20 0 BEADMN CN1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC000928557903 645816121 /nfs/dbraw/zinc/81/61/21/645816121.db2.gz UPRFRGVGIOSEBZ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(CC)(CC)C(=O)NC[C@@H]1CCN1C ZINC000928559025 645816690 /nfs/dbraw/zinc/81/66/90/645816690.db2.gz HROWICQBWFAVLU-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccn(C)n1 ZINC000878705344 645823337 /nfs/dbraw/zinc/82/33/37/645823337.db2.gz UXGKECQNVJYGMX-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN CN1CC[C@H]1CNC(=O)CCC1CCCCC1 ZINC000928573197 645834694 /nfs/dbraw/zinc/83/46/94/645834694.db2.gz MNLJJDBXZXETJS-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)N1CCN[C@@H](C)C1 ZINC000884268399 645872480 /nfs/dbraw/zinc/87/24/80/645872480.db2.gz FUDWKRDRQZAHAV-OBJOEFQTSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc(CN2C[C@@H]3CSC[C@@H]3C2)oc1C ZINC000886558445 645888235 /nfs/dbraw/zinc/88/82/35/645888235.db2.gz KQQXBQFKRADLDZ-PHIMTYICSA-N 0 1 238.356 2.086 20 0 BEADMN CCC[C@H]1CCCCN1Cc1cn(CC)nn1 ZINC000887556304 645899703 /nfs/dbraw/zinc/89/97/03/645899703.db2.gz CGAVXLVBYYDHQS-ZDUSSCGKSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000929137957 645965784 /nfs/dbraw/zinc/96/57/84/645965784.db2.gz IIYQXQXZAZFVKZ-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN CCN(CC)C(=O)c1cc(F)cc(F)c1O ZINC000929141894 645968057 /nfs/dbraw/zinc/96/80/57/645968057.db2.gz QLBBODHRLFKVIX-UHFFFAOYSA-N 0 1 229.226 2.152 20 0 BEADMN CCCCNC(=O)c1cccc(F)c1O ZINC000929149943 645972473 /nfs/dbraw/zinc/97/24/73/645972473.db2.gz NRGIIOXUBQDVIX-UHFFFAOYSA-N 0 1 211.236 2.061 20 0 BEADMN COC(=O)/C=C(\C)CN(C)Cc1ccsc1 ZINC000929180202 645988211 /nfs/dbraw/zinc/98/82/11/645988211.db2.gz NKJLVGINOBPRHF-UXBLZVDNSA-N 0 1 239.340 2.299 20 0 BEADMN C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H](C)CO1 ZINC000929183444 645991286 /nfs/dbraw/zinc/99/12/86/645991286.db2.gz WWJNCKDFAZQROU-MJDLHHQISA-N 0 1 245.313 2.387 20 0 BEADMN COC(=O)/C=C(/C)CN(C)Cc1cccs1 ZINC000929207761 646007265 /nfs/dbraw/zinc/00/72/65/646007265.db2.gz OLDJZGJLFZMRGM-YFHOEESVSA-N 0 1 239.340 2.299 20 0 BEADMN CCc1ncc(CN2C3CCC2CC3)o1 ZINC000929247922 646030344 /nfs/dbraw/zinc/03/03/44/646030344.db2.gz FOEJKRXZVKMWME-UHFFFAOYSA-N 0 1 206.289 2.364 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@]2(C)C=CCC2)n1 ZINC000924407916 646030536 /nfs/dbraw/zinc/03/05/36/646030536.db2.gz MIRXIDHFNVGMGW-ZDUSSCGKSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000924407916 646030549 /nfs/dbraw/zinc/03/05/49/646030549.db2.gz MIRXIDHFNVGMGW-ZDUSSCGKSA-N 0 1 249.314 2.328 20 0 BEADMN Cc1cn(C)nc1CN(C(C)C)C1CC1 ZINC000929270251 646031893 /nfs/dbraw/zinc/03/18/93/646031893.db2.gz HJRSNYWFXYUAIR-UHFFFAOYSA-N 0 1 207.321 2.101 20 0 BEADMN CCN(Cc1noc2c1COCC2)CC(C)C ZINC000929259094 646033126 /nfs/dbraw/zinc/03/31/26/646033126.db2.gz QGUXMGATDXHAFI-UHFFFAOYSA-N 0 1 238.331 2.225 20 0 BEADMN C[C@@H](NCCCC1CCCC1)c1cnn(C)n1 ZINC000924604797 646077143 /nfs/dbraw/zinc/07/71/43/646077143.db2.gz RBKADXPBNHHDSF-LLVKDONJSA-N 0 1 236.363 2.436 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)Cc1ccco1 ZINC000924609686 646077522 /nfs/dbraw/zinc/07/75/22/646077522.db2.gz MUZPJWCWBZDHLO-BDAKNGLRSA-N 0 1 235.287 2.253 20 0 BEADMN COC/C(C)=C\CN(C)Cc1ccoc1 ZINC000929326858 646083198 /nfs/dbraw/zinc/08/31/98/646083198.db2.gz BUXFZQWPWDKMPY-WCIBSUBMSA-N 0 1 209.289 2.304 20 0 BEADMN COc1ccc2c(c1)CN(CCOC1CC1)CC2 ZINC000929341551 646087644 /nfs/dbraw/zinc/08/76/44/646087644.db2.gz DEULHMBPSOWAQH-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN COC/C(C)=C\CN1C[C@@H](C)OC(C)(C)C1 ZINC000929347215 646089386 /nfs/dbraw/zinc/08/93/86/646089386.db2.gz DQPMVIXXMXBMMF-HUMZTAOYSA-N 0 1 227.348 2.078 20 0 BEADMN Cc1nnsc1[C@@H](C)N(C)CC(C)C ZINC000929360957 646095857 /nfs/dbraw/zinc/09/58/57/646095857.db2.gz CGZAVYHTACDOCZ-SECBINFHSA-N 0 1 213.350 2.495 20 0 BEADMN Cc1nnsc1[C@H](C)N(C)CC(C)C ZINC000929360958 646096634 /nfs/dbraw/zinc/09/66/34/646096634.db2.gz CGZAVYHTACDOCZ-VIFPVBQESA-N 0 1 213.350 2.495 20 0 BEADMN C[C@@H](NCCc1ccc(O)cc1)c1ncco1 ZINC000924801224 646111155 /nfs/dbraw/zinc/11/11/55/646111155.db2.gz NZPWFVFOXPLQBB-SNVBAGLBSA-N 0 1 232.283 2.274 20 0 BEADMN CC[C@H]1CCCN1Cc1noc2c1COCC2 ZINC000929492821 646148838 /nfs/dbraw/zinc/14/88/38/646148838.db2.gz SXZLKIKITXEVKC-JTQLQIEISA-N 0 1 236.315 2.122 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCCOC1 ZINC000924988680 646151544 /nfs/dbraw/zinc/15/15/44/646151544.db2.gz SUCFXQTVIWXQJV-WDEREUQCSA-N 0 1 236.315 2.129 20 0 BEADMN CC[C@](C)(O)CN[C@H]1CCCc2oc(C)nc21 ZINC000924994626 646153009 /nfs/dbraw/zinc/15/30/09/646153009.db2.gz XKXKJLGUOGMWSK-GWCFXTLKSA-N 0 1 238.331 2.111 20 0 BEADMN CO[C@@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929502323 646153958 /nfs/dbraw/zinc/15/39/58/646153958.db2.gz IUOHUDDHQUJSNZ-ZYHUDNBSSA-N 0 1 238.306 2.393 20 0 BEADMN C(c1noc2c1COCC2)N1CCC[C@H]1C1CC1 ZINC000929511943 646160278 /nfs/dbraw/zinc/16/02/78/646160278.db2.gz RYCZNZFQPMILEU-ZDUSSCGKSA-N 0 1 248.326 2.122 20 0 BEADMN CCC[C@H](O)CN[C@H]1CCCc2oc(C)nc21 ZINC000925041529 646164927 /nfs/dbraw/zinc/16/49/27/646164927.db2.gz OUHVYGDTEGCFPB-QWRGUYRKSA-N 0 1 238.331 2.111 20 0 BEADMN Cc1cc(C[N@H+]2CCS[C@H](C)C2)c(C)nn1 ZINC000929519426 646168004 /nfs/dbraw/zinc/16/80/04/646168004.db2.gz YJUXVZFGYJFRPI-SNVBAGLBSA-N 0 1 237.372 2.031 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)C2)c(C)nn1 ZINC000929519426 646168008 /nfs/dbraw/zinc/16/80/08/646168008.db2.gz YJUXVZFGYJFRPI-SNVBAGLBSA-N 0 1 237.372 2.031 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccns2)[nH]n1 ZINC000925062992 646171786 /nfs/dbraw/zinc/17/17/86/646171786.db2.gz PBWNLOUXCLBXFC-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccns2)[nH]n1 ZINC000925062993 646172745 /nfs/dbraw/zinc/17/27/45/646172745.db2.gz PBWNLOUXCLBXFC-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CSCCCCN[C@@H](C)c1ncco1 ZINC000925098471 646184114 /nfs/dbraw/zinc/18/41/14/646184114.db2.gz MRTPJCRDJKLGAC-VIFPVBQESA-N 0 1 214.334 2.468 20 0 BEADMN CC(C)C[C@H](CCO)CN[C@@H](C)c1ncco1 ZINC000925189091 646203595 /nfs/dbraw/zinc/20/35/95/646203595.db2.gz JZJKUMHHVUJEFH-RYUDHWBXSA-N 0 1 240.347 2.370 20 0 BEADMN C[C@H](c1ccc(F)nc1)N(C)CCn1cccn1 ZINC000929621771 646208201 /nfs/dbraw/zinc/20/82/01/646208201.db2.gz RIOARMLPEXLOSL-LLVKDONJSA-N 0 1 248.305 2.110 20 0 BEADMN C[C@H](NC[C@]1(C)CCCC[C@H]1O)c1ncco1 ZINC000925211954 646210079 /nfs/dbraw/zinc/21/00/79/646210079.db2.gz CVJHAKJETRSXBO-LOWVWBTDSA-N 0 1 238.331 2.266 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929626118 646210536 /nfs/dbraw/zinc/21/05/36/646210536.db2.gz YFGWVWGPCFBTQP-GUDFOSOFSA-N 0 1 241.285 2.133 20 0 BEADMN COc1cc([C@@H](C)N[C@H]2CCCSC2)on1 ZINC000925218662 646212278 /nfs/dbraw/zinc/21/22/78/646212278.db2.gz NEYCEMFZISAKQJ-BDAKNGLRSA-N 0 1 242.344 2.229 20 0 BEADMN CCOC[C@@H]1CCCN([C@@H](C)c2ncccn2)C1 ZINC000929643687 646216043 /nfs/dbraw/zinc/21/60/43/646216043.db2.gz IMLLVXGUCOKZLF-QWHCGFSZSA-N 0 1 249.358 2.286 20 0 BEADMN CCN(Cc1nn(C)cc1C)C1CCC1 ZINC000929679013 646222252 /nfs/dbraw/zinc/22/22/52/646222252.db2.gz FCKHDXHYVINJKE-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@]1(C)CCCS1 ZINC000925267397 646224547 /nfs/dbraw/zinc/22/45/47/646224547.db2.gz HQQFZSSYRHBVFS-GZMMTYOYSA-N 0 1 241.360 2.314 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@]1(C)CCCS1 ZINC000925267398 646225920 /nfs/dbraw/zinc/22/59/20/646225920.db2.gz HQQFZSSYRHBVFS-KCJUWKMLSA-N 0 1 241.360 2.314 20 0 BEADMN CC[C@@H]1COCCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929660392 646229244 /nfs/dbraw/zinc/22/92/44/646229244.db2.gz UKAFTNZBLVEHNV-WISYIIOYSA-N 0 1 245.313 2.389 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ncco1 ZINC000925280447 646230685 /nfs/dbraw/zinc/23/06/85/646230685.db2.gz RAGQSDJYCOLKIZ-YFKTTZPYSA-N 0 1 236.315 2.283 20 0 BEADMN CCC1(O)CCC(N[C@@H](C)c2ncco2)CC1 ZINC000925294909 646235080 /nfs/dbraw/zinc/23/50/80/646235080.db2.gz IISZZPGMNWSZEC-ZBOXLXRLSA-N 0 1 238.331 2.409 20 0 BEADMN Cc1cc(CN2CCSC[C@H]2C)c(C)nn1 ZINC000929689906 646247936 /nfs/dbraw/zinc/24/79/36/646247936.db2.gz ZRRNQMQOFDYXEP-SNVBAGLBSA-N 0 1 237.372 2.031 20 0 BEADMN COC[C@H](CN(C)Cc1ccon1)C(C)C ZINC000929698149 646252367 /nfs/dbraw/zinc/25/23/67/646252367.db2.gz ZEZYHMZOGCKPCW-NSHDSACASA-N 0 1 226.320 2.025 20 0 BEADMN CC[C@@H](CO)N1CCO[C@@H](c2ccccc2C)C1 ZINC000929706968 646262624 /nfs/dbraw/zinc/26/26/24/646262624.db2.gz DHCUEFNERRZHOC-DZGCQCFKSA-N 0 1 249.354 2.139 20 0 BEADMN O=C(NC(C1CC1)C1CC1)c1cccc(F)c1O ZINC000929720123 646273230 /nfs/dbraw/zinc/27/32/30/646273230.db2.gz LPXGKYXYUUIYSI-UHFFFAOYSA-N 0 1 249.285 2.450 20 0 BEADMN C[C@@H]1C[C@@H](NCCCC2CC2)c2ncnn21 ZINC000925435229 646281392 /nfs/dbraw/zinc/28/13/92/646281392.db2.gz PAXBCCVXDKZBIY-MWLCHTKSSA-N 0 1 220.320 2.064 20 0 BEADMN CC(C)n1cc([C@@H](C)N[C@@H]2CCSC2)nn1 ZINC000925482524 646294576 /nfs/dbraw/zinc/29/45/76/646294576.db2.gz VRLISBAQMRSFOR-NXEZZACHSA-N 0 1 240.376 2.015 20 0 BEADMN C[C@@H]1c2ccccc2CN1CCO[C@H]1CCOC1 ZINC000929766552 646296119 /nfs/dbraw/zinc/29/61/19/646296119.db2.gz OECNNSSMQXLTBC-OCCSQVGLSA-N 0 1 247.338 2.369 20 0 BEADMN COCC(COC)N1Cc2ccccc2[C@H]1C ZINC000929767398 646296900 /nfs/dbraw/zinc/29/69/00/646296900.db2.gz TWCLUISTJPCVJJ-LLVKDONJSA-N 0 1 235.327 2.225 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cc(CO)on1 ZINC000925487448 646297610 /nfs/dbraw/zinc/29/76/10/646297610.db2.gz YOZFONCTQIJGLY-LNLATYFQSA-N 0 1 224.304 2.006 20 0 BEADMN COC[C@@H](CN(C)Cc1nccs1)C(C)C ZINC000929769591 646300907 /nfs/dbraw/zinc/30/09/07/646300907.db2.gz UCSDMXWSIFHNPJ-LLVKDONJSA-N 0 1 242.388 2.494 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ncco1 ZINC000925552200 646329763 /nfs/dbraw/zinc/32/97/63/646329763.db2.gz WDIQZEJFKVILNU-PSASIEDQSA-N 0 1 232.287 2.126 20 0 BEADMN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cnn(C)n1 ZINC000925561915 646336509 /nfs/dbraw/zinc/33/65/09/646336509.db2.gz MKQSZBMMWCUXSW-DTWKUNHWSA-N 0 1 244.289 2.044 20 0 BEADMN Cc1cn(C)nc1CN(C)[C@@H](C)C1(C)CC1 ZINC000929817880 646336673 /nfs/dbraw/zinc/33/66/73/646336673.db2.gz RXMJINPURYFGNU-NSHDSACASA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@H]1CCN([C@@H](C)c2ncccn2)C1 ZINC000929824204 646339253 /nfs/dbraw/zinc/33/92/53/646339253.db2.gz UNYMQLHTQNPOHF-QWRGUYRKSA-N 0 1 205.305 2.270 20 0 BEADMN Cc1cn(C)nc1CN1CCC2(CCC2)C1 ZINC000929828493 646344596 /nfs/dbraw/zinc/34/45/96/646344596.db2.gz JEENCOXAJCSYJT-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ncco2)n[nH]1 ZINC000925658255 646393874 /nfs/dbraw/zinc/39/38/74/646393874.db2.gz HUDKCEOWAOXBDB-BDAKNGLRSA-N 0 1 249.318 2.328 20 0 BEADMN CC[C@@H](CSC)N[C@H](C)c1ncco1 ZINC000925689867 646416226 /nfs/dbraw/zinc/41/62/26/646416226.db2.gz IWKKDLIOUSNGDL-BDAKNGLRSA-N 0 1 214.334 2.467 20 0 BEADMN CC(F)(F)CCCN1CCc2c[nH]nc2C1 ZINC000930067848 646416181 /nfs/dbraw/zinc/41/61/81/646416181.db2.gz BBBZIJYEUBPAHZ-UHFFFAOYSA-N 0 1 229.274 2.203 20 0 BEADMN CO[C@@H]1CCC[C@H]1CN[C@@H](C)c1ncco1 ZINC000925691370 646416997 /nfs/dbraw/zinc/41/69/97/646416997.db2.gz MBXWWXFDQSXJLW-GARJFASQSA-N 0 1 224.304 2.140 20 0 BEADMN CC[C@@H](CSC)N[C@@H](C)c1ncco1 ZINC000925690321 646417267 /nfs/dbraw/zinc/41/72/67/646417267.db2.gz IWKKDLIOUSNGDL-IUCAKERBSA-N 0 1 214.334 2.467 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCc2cn[nH]c2C1 ZINC000930068970 646418867 /nfs/dbraw/zinc/41/88/67/646418867.db2.gz MQQUUMVPGYPZKF-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CCCSCC1 ZINC000930119999 646440834 /nfs/dbraw/zinc/44/08/34/646440834.db2.gz UGWUXRHJMYSTEO-WDEREUQCSA-N 0 1 245.388 2.013 20 0 BEADMN FC(F)(F)[C@@H]1CC[C@H](CN2CC[C@@H]3C[C@@H]32)O1 ZINC000930121467 646444590 /nfs/dbraw/zinc/44/45/90/646444590.db2.gz FKRDKGYWXCYHAH-IMSYWVGJSA-N 0 1 235.249 2.191 20 0 BEADMN Cc1ncc(CN2CC[C@H](C(F)F)C2)o1 ZINC000930128975 646452040 /nfs/dbraw/zinc/45/20/40/646452040.db2.gz YTJGBGSVBKSPGV-QMMMGPOBSA-N 0 1 216.231 2.070 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC[C@](C)(O)C1 ZINC000930147630 646460227 /nfs/dbraw/zinc/46/02/27/646460227.db2.gz VPJHEBUBYNMSSY-MFKMUULPSA-N 0 1 238.306 2.129 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2CNOC2)c2sccc21 ZINC000925860265 646513305 /nfs/dbraw/zinc/51/33/05/646513305.db2.gz OHVTYGMTHGDGDZ-KKZNHRDASA-N 0 1 238.356 2.180 20 0 BEADMN Cc1cc(C)c([C@@H](C)N[C@@H]2CNOC2)cc1C ZINC000925865928 646518472 /nfs/dbraw/zinc/51/84/72/646518472.db2.gz QPYMCXFUTJNAGR-CHWSQXEVSA-N 0 1 234.343 2.166 20 0 BEADMN CCCc1ccc([C@H](C)N[C@H]2CNOC2)cc1 ZINC000925869541 646519906 /nfs/dbraw/zinc/51/99/06/646519906.db2.gz GSATYONXMYDPHA-FZMZJTMJSA-N 0 1 234.343 2.193 20 0 BEADMN C[C@H]1CC[C@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870010 646522557 /nfs/dbraw/zinc/52/25/57/646522557.db2.gz NZCIQFYMUROHJB-MJVIPROJSA-N 0 1 232.327 2.118 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1CCCCS1 ZINC000926130748 646577776 /nfs/dbraw/zinc/57/77/76/646577776.db2.gz RXWUEGPPXVAJQU-WPRPVWTQSA-N 0 1 241.360 2.314 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1cn(C)nn1 ZINC000926126150 646578838 /nfs/dbraw/zinc/57/88/38/646578838.db2.gz IHIAHCFHJRKLJX-BXUZGUMPSA-N 0 1 248.374 2.430 20 0 BEADMN COCCC(C)(C)CN[C@H](C)c1ncco1 ZINC000926166123 646587849 /nfs/dbraw/zinc/58/78/49/646587849.db2.gz GYSLUHDHVCPRNF-SNVBAGLBSA-N 0 1 226.320 2.388 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ncco1 ZINC000926184613 646590183 /nfs/dbraw/zinc/59/01/83/646590183.db2.gz UQJMOGUPLLJAPE-ZMLRMANQSA-N 0 1 236.315 2.283 20 0 BEADMN CCOC[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000926223985 646596504 /nfs/dbraw/zinc/59/65/04/646596504.db2.gz JPOUNUOEYAKIGD-ONGXEEELSA-N 0 1 238.331 2.375 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CC23CCCC3)c2ncnn21 ZINC000926282224 646609847 /nfs/dbraw/zinc/60/98/47/646609847.db2.gz BZXPBYGXOOBSEL-VWYCJHECSA-N 0 1 232.331 2.206 20 0 BEADMN C[C@@H](N[C@H]1CC12CCCC2)c1cc(CO)on1 ZINC000926281161 646609932 /nfs/dbraw/zinc/60/99/32/646609932.db2.gz NDCPYIGNWXTYJV-SKDRFNHKSA-N 0 1 236.315 2.150 20 0 BEADMN C[C@@H](NC[C@H]1CCCCN1C1CC1)c1ncco1 ZINC000926290325 646612862 /nfs/dbraw/zinc/61/28/62/646612862.db2.gz MDZVDKOUJSMYSX-DGCLKSJQSA-N 0 1 249.358 2.342 20 0 BEADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cn(C)cn1 ZINC000926409205 646630877 /nfs/dbraw/zinc/63/08/77/646630877.db2.gz ODYOEFGBOYOPDC-QMMMGPOBSA-N 0 1 247.264 2.413 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000926420735 646634563 /nfs/dbraw/zinc/63/45/63/646634563.db2.gz JTRLZOYQYNMBLF-GXSJLCMTSA-N 0 1 236.363 2.446 20 0 BEADMN C[C@@H]1C[C@H](NCCC2(F)CCC2)c2ncnn21 ZINC000926423732 646635597 /nfs/dbraw/zinc/63/55/97/646635597.db2.gz KMFIICBHRQHJOE-ZJUUUORDSA-N 0 1 238.310 2.156 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCC1(C)C ZINC000926424469 646635744 /nfs/dbraw/zinc/63/57/44/646635744.db2.gz QGLGXHIYWYWBNS-CBAPKCEASA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H]1COC[C@@H](C)C1N[C@H]1CCCC1(F)F ZINC000926428190 646637414 /nfs/dbraw/zinc/63/74/14/646637414.db2.gz HHHKFCKHXASORE-BBBLOLIVSA-N 0 1 233.302 2.435 20 0 BEADMN C[C@H](NC[C@H]1CCCSC1)c1ncco1 ZINC000926429543 646637517 /nfs/dbraw/zinc/63/75/17/646637517.db2.gz HJPFANPYYBXSBN-VHSXEESVSA-N 0 1 226.345 2.468 20 0 BEADMN CC(C)n1cc([C@@H](C)NCC[C@H](C)F)nn1 ZINC000926484828 646656535 /nfs/dbraw/zinc/65/65/35/646656535.db2.gz FMRNYCDZHLKGJF-VHSXEESVSA-N 0 1 228.315 2.258 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCC[C@H](C)F)n1 ZINC000926485163 646656575 /nfs/dbraw/zinc/65/65/75/646656575.db2.gz JJDNMNHXAMZBAQ-DTWKUNHWSA-N 0 1 228.315 2.005 20 0 BEADMN CC(C)C1(N[C@@H](C)c2cc(CO)on2)CC1 ZINC000926490201 646660734 /nfs/dbraw/zinc/66/07/34/646660734.db2.gz MSMPCKFUPDFOAF-VIFPVBQESA-N 0 1 224.304 2.006 20 0 BEADMN CCc1nnc(CNC2CC3(C2)CCCC3)[nH]1 ZINC000926492472 646660981 /nfs/dbraw/zinc/66/09/81/646660981.db2.gz ATZOJUNZOWRLOZ-UHFFFAOYSA-N 0 1 234.347 2.180 20 0 BEADMN CC(C)C1(N[C@H](C)c2cc(CO)on2)CC1 ZINC000926490200 646661411 /nfs/dbraw/zinc/66/14/11/646661411.db2.gz MSMPCKFUPDFOAF-SECBINFHSA-N 0 1 224.304 2.006 20 0 BEADMN Cc1nonc1[C@H](C)NCCCC(C)(F)F ZINC000926497454 646662585 /nfs/dbraw/zinc/66/25/85/646662585.db2.gz XNKHHXAGBJNXMB-ZETCQYMHSA-N 0 1 233.262 2.464 20 0 BEADMN CCC1(N[C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926508661 646666902 /nfs/dbraw/zinc/66/69/02/646666902.db2.gz IEOBQNLMHQWZMP-JTQLQIEISA-N 0 1 222.336 2.452 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000050565568 711599670 /nfs/dbraw/zinc/59/96/70/711599670.db2.gz VMGCSHIIHIDJFU-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cnc(CN[C@@H](CCO)C2CCCC2)o1 ZINC000725088381 711650928 /nfs/dbraw/zinc/65/09/28/711650928.db2.gz MGPFZXGTLMNICV-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN OCC[C@@H](NCc1ncc(Cl)s1)C1CC1 ZINC000379916319 711814006 /nfs/dbraw/zinc/81/40/06/711814006.db2.gz CJSKYFQWTKARJG-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN COCCN[C@H](C)c1cccnc1Cl ZINC000152110139 711853127 /nfs/dbraw/zinc/85/31/27/711853127.db2.gz WUJGPIRQEDGSAQ-MRVPVSSYSA-N 0 1 214.696 2.032 20 0 BEADMN C[C@H](Cc1cccs1)NCc1ncccn1 ZINC000070851075 711897349 /nfs/dbraw/zinc/89/73/49/711897349.db2.gz LGMXWEPPQNWWAA-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN C[C@@H]1CCN(CC=C(Cl)Cl)C[C@@H]1CO ZINC000700390396 711991100 /nfs/dbraw/zinc/99/11/00/711991100.db2.gz KDMHROVUGJJZED-RKDXNWHRSA-N 0 1 238.158 2.256 20 0 BEADMN Fc1cc(F)cc(CNC2CSC2)c1 ZINC000701984803 712034778 /nfs/dbraw/zinc/03/47/78/712034778.db2.gz ZOHWVOZMFSKJPM-UHFFFAOYSA-N 0 1 215.268 2.170 20 0 BEADMN CC1(O)CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000702987635 712063511 /nfs/dbraw/zinc/06/35/11/712063511.db2.gz FJSLJGFJHBHMIB-YVNMAJEFSA-N 0 1 233.302 2.457 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(Cl)cn1 ZINC000703900515 712093370 /nfs/dbraw/zinc/09/33/70/712093370.db2.gz RWSXJFXABFYNCX-MNOVXSKESA-N 0 1 226.707 2.002 20 0 BEADMN Cc1nnc(CNCC[C@H]2CCSC2)s1 ZINC000704822495 712118520 /nfs/dbraw/zinc/11/85/20/712118520.db2.gz LBZPGLALRUQQHP-VIFPVBQESA-N 0 1 243.401 2.079 20 0 BEADMN Cc1csc(CNC[C@H]2CC(C)(C)CO2)n1 ZINC000708341644 712189272 /nfs/dbraw/zinc/18/92/72/712189272.db2.gz MTGKCLPMGSNURG-SNVBAGLBSA-N 0 1 240.372 2.356 20 0 BEADMN C[C@H](C(N)=O)N1CCC(C2CCCCC2)CC1 ZINC000708848200 712200731 /nfs/dbraw/zinc/20/07/31/712200731.db2.gz WEBJDFLAUAFDBA-LLVKDONJSA-N 0 1 238.375 2.153 20 0 BEADMN Cc1nc(CNCCc2ccns2)cs1 ZINC000709776103 712224583 /nfs/dbraw/zinc/22/45/83/712224583.db2.gz XQQWLJSRZWMVNB-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1cn(C)cn1 ZINC000709897543 712231081 /nfs/dbraw/zinc/23/10/81/712231081.db2.gz PXBLHYFUOQHRJQ-LLVKDONJSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H](NCCC(C)(F)F)c1cn(C)cn1 ZINC000709904338 712232370 /nfs/dbraw/zinc/23/23/70/712232370.db2.gz LQZNNINXZKKHTP-MRVPVSSYSA-N 0 1 217.263 2.116 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cn(C)cn1 ZINC000709986750 712237446 /nfs/dbraw/zinc/23/74/46/712237446.db2.gz GOPPDTFPWYVRDJ-HTQZYQBOSA-N 0 1 235.253 2.412 20 0 BEADMN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1cn(C)cn1 ZINC000709986213 712237510 /nfs/dbraw/zinc/23/75/10/712237510.db2.gz CFRUFQFGMVAQFY-RKDXNWHRSA-N 0 1 229.274 2.259 20 0 BEADMN C[C@H](C[N@H+]1CCSC[C@H]1C(=O)[O-])C(C)(C)C ZINC000710759194 712256565 /nfs/dbraw/zinc/25/65/65/712256565.db2.gz OUOBWBPOXVOHMB-ZJUUUORDSA-N 0 1 245.388 2.171 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710923873 712266297 /nfs/dbraw/zinc/26/62/97/712266297.db2.gz IHBYHKOHCIUASF-NOOOWODRSA-N 0 1 223.316 2.114 20 0 BEADMN c1csc(CNC[C@H]2CCC3(CCC3)O2)n1 ZINC000711458581 712304832 /nfs/dbraw/zinc/30/48/32/712304832.db2.gz YMNDZHSVTHOPDQ-SNVBAGLBSA-N 0 1 238.356 2.334 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@@H](CF)C2)cc1C(=O)[O-] ZINC000711489256 712306677 /nfs/dbraw/zinc/30/66/77/712306677.db2.gz JZHWEESKIVEFFJ-VIFPVBQESA-N 0 1 241.262 2.078 20 0 BEADMN CON=Cc1cc(Cl)c(F)cc1O ZINC000378853648 712366062 /nfs/dbraw/zinc/36/60/62/712366062.db2.gz IASOKIWBLVNYSS-UHFFFAOYSA-N 0 1 203.600 2.165 20 0 BEADMN CC(C)SCCON=C(N)C(C)C ZINC000379419859 712384462 /nfs/dbraw/zinc/38/44/62/712384462.db2.gz ZDPAORQJJNGXMK-UHFFFAOYSA-N 0 1 204.339 2.282 20 0 BEADMN C[C@H]1CCC(C)(C)C[C@@H]1NCc1ncn(C)n1 ZINC000713026462 712451356 /nfs/dbraw/zinc/45/13/56/712451356.db2.gz LLEQHYPHNXNCFX-QWRGUYRKSA-N 0 1 236.363 2.120 20 0 BEADMN C=C/C=C/CCNCc1cn(C(C)C)nn1 ZINC000713491093 712462629 /nfs/dbraw/zinc/46/26/29/712462629.db2.gz MNXSQGLBWQUQDA-AATRIKPKSA-N 0 1 220.320 2.081 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCF)cc1C(=O)[O-] ZINC000714932539 712500775 /nfs/dbraw/zinc/50/07/75/712500775.db2.gz RHHYORYHIHPMRX-UHFFFAOYSA-N 0 1 239.290 2.485 20 0 BEADMN CCCn1cc([C@H](C)N[C@H]2CC2(C)C)nn1 ZINC000715853796 712536809 /nfs/dbraw/zinc/53/68/09/712536809.db2.gz UEXYFOURZIAXQO-ONGXEEELSA-N 0 1 222.336 2.137 20 0 BEADMN CCCn1cc([C@H](C)NC[C@H](C)SC)nn1 ZINC000715894174 712540876 /nfs/dbraw/zinc/54/08/76/712540876.db2.gz IDFJSOVSPHRTCY-UWVGGRQHSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@@H](NCc1cccn1C)c1ccns1 ZINC000715956477 712545797 /nfs/dbraw/zinc/54/57/97/712545797.db2.gz WTIKDAUZUHVVLW-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)c2cscn2)c1C ZINC000716452965 712561928 /nfs/dbraw/zinc/56/19/28/712561928.db2.gz YNLGWVJQDPKOQL-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN Cc1ccnc(NCCOC2CCC2)c1 ZINC000379944437 712634729 /nfs/dbraw/zinc/63/47/29/712634729.db2.gz QDUSVSHKONRBDL-UHFFFAOYSA-N 0 1 206.289 2.371 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(F)F ZINC000718618452 712773598 /nfs/dbraw/zinc/77/35/98/712773598.db2.gz WHWLPVNAOJVKGU-MRVPVSSYSA-N 0 1 223.263 2.217 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCC(C)(F)F)C1CC1 ZINC000718629082 712773776 /nfs/dbraw/zinc/77/37/76/712773776.db2.gz HUYCTRBCUQHTBP-QMMMGPOBSA-N 0 1 235.274 2.359 20 0 BEADMN C[C@H]1SCC[C@H]1NCc1ncc(Cl)n1C ZINC000380322206 712883348 /nfs/dbraw/zinc/88/33/48/712883348.db2.gz KTRJETANXUNKHC-HTQZYQBOSA-N 0 1 245.779 2.057 20 0 BEADMN O=C(NC[C@@H]1CCN1CC1=CCCCC1)C1CC1 ZINC001037994036 712897341 /nfs/dbraw/zinc/89/73/41/712897341.db2.gz NJZXKQPULQFKGO-AWEZNQCLSA-N 0 1 248.370 2.087 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1cccnc1Cl ZINC000381234199 710610971 /nfs/dbraw/zinc/61/09/71/710610971.db2.gz LNCOXQNOTIHHFE-CABZTGNLSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@@]1(NCc2cccnc2Cl)CCCOC1 ZINC000381487233 710645343 /nfs/dbraw/zinc/64/53/43/710645343.db2.gz VXGFDPMZVBMVFU-GFCCVEGCSA-N 0 1 240.734 2.394 20 0 BEADMN C[C@@H](CSC(C)(C)C)NCc1ccn(C)n1 ZINC000381518200 710650311 /nfs/dbraw/zinc/65/03/11/710650311.db2.gz SWBHTOCZUXJHSV-JTQLQIEISA-N 0 1 241.404 2.430 20 0 BEADMN CCCCCCOC(=O)c1cnc(NC)s1 ZINC000381551239 710653707 /nfs/dbraw/zinc/65/37/07/710653707.db2.gz MUWCTKZCXSYXKC-UHFFFAOYSA-N 0 1 242.344 2.344 20 0 BEADMN CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018205468 710662872 /nfs/dbraw/zinc/66/28/72/710662872.db2.gz NMZYXWXIXZUGDU-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1cn(C)cn1 ZINC000381645996 710665481 /nfs/dbraw/zinc/66/54/81/710665481.db2.gz BRKMNNZCOCIWIU-QMMMGPOBSA-N 0 1 235.253 2.241 20 0 BEADMN COc1ccc(C#N)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000380384102 712900310 /nfs/dbraw/zinc/90/03/10/712900310.db2.gz UZMZJSDQPFLOFS-TXEJJXNPSA-N 0 1 228.295 2.019 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000723793111 710731377 /nfs/dbraw/zinc/73/13/77/710731377.db2.gz NIHVJQXVXBISHV-CKYFFXLPSA-N 0 1 225.332 2.218 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000723798198 710731751 /nfs/dbraw/zinc/73/17/51/710731751.db2.gz VYEFMGUGRVLFBA-OCAKLBGPSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@H](CCCO)NCc1nc(C(C)(C)C)co1 ZINC000724407814 710739970 /nfs/dbraw/zinc/73/99/70/710739970.db2.gz KPMBFJIGEYLWNT-SNVBAGLBSA-N 0 1 240.347 2.223 20 0 BEADMN CCCN(Cc1cnc[nH]1)CC(F)(F)F ZINC000724773503 710745922 /nfs/dbraw/zinc/74/59/22/710745922.db2.gz NIFUFAWBMXOKGS-UHFFFAOYSA-N 0 1 221.226 2.184 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@]1(C)CCCS1 ZINC000382051775 710770213 /nfs/dbraw/zinc/77/02/13/710770213.db2.gz MWIYBROOYPGDLA-LLVKDONJSA-N 0 1 231.361 2.069 20 0 BEADMN CC(C(=O)N(C)C1CN(CC2CC2)C1)=C1CCC1 ZINC001042702404 710798339 /nfs/dbraw/zinc/79/83/39/710798339.db2.gz CJUHIYXAPOIVQX-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)CCN1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044215559 710820880 /nfs/dbraw/zinc/82/08/80/710820880.db2.gz BRBQSFHJTDHSMV-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CSC1(C[N@@H+](CCC(=O)[O-])C2CC2)CCC1 ZINC000382579271 710973342 /nfs/dbraw/zinc/97/33/42/710973342.db2.gz VCLDIIBQDOQUJU-UHFFFAOYSA-N 0 1 243.372 2.211 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000382988627 710976282 /nfs/dbraw/zinc/97/62/82/710976282.db2.gz WEIWHVUJOFCTMF-PHIMTYICSA-N 0 1 247.294 2.376 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000383165119 710977547 /nfs/dbraw/zinc/97/75/47/710977547.db2.gz DYBPCZHVMCGMIO-ONGXEEELSA-N 0 1 235.283 2.352 20 0 BEADMN CCN(CC)C(=O)CNCc1csc(C)c1 ZINC000380608387 712901917 /nfs/dbraw/zinc/90/19/17/712901917.db2.gz XHXIKWLRIJTWSU-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN C[C@@H](NCc1ccc(O)c(F)c1)c1cnn(C)c1 ZINC000385365517 711011330 /nfs/dbraw/zinc/01/13/30/711011330.db2.gz LZWUHXABUKKBNR-SECBINFHSA-N 0 1 249.289 2.116 20 0 BEADMN C[C@H](NCc1ccc(O)c(F)c1)c1cnn(C)c1 ZINC000385365518 711011634 /nfs/dbraw/zinc/01/16/34/711011634.db2.gz LZWUHXABUKKBNR-VIFPVBQESA-N 0 1 249.289 2.116 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000385874661 711019323 /nfs/dbraw/zinc/01/93/23/711019323.db2.gz VQTHIRYFFVPPNO-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN CCC[N@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385855591 711019604 /nfs/dbraw/zinc/01/96/04/711019604.db2.gz HNTCFNMMWZJBBU-UHFFFAOYSA-N 0 1 237.290 2.464 20 0 BEADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385855591 711019610 /nfs/dbraw/zinc/01/96/10/711019610.db2.gz HNTCFNMMWZJBBU-UHFFFAOYSA-N 0 1 237.290 2.464 20 0 BEADMN CCc1ccc(CN2CCC(C(C)=O)CC2)nc1 ZINC000386274817 711025954 /nfs/dbraw/zinc/02/59/54/711025954.db2.gz YCHOVNPCCNMYMQ-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN Cc1cc(N[C@@H]2CC[C@H](CC(=O)[O-])C2)nc(C)[nH+]1 ZINC000386274221 711026739 /nfs/dbraw/zinc/02/67/39/711026739.db2.gz XXGUYQJOWAYOAE-WDEREUQCSA-N 0 1 249.314 2.149 20 0 BEADMN Cc1ccsc1[C@@H](CO)NC/C=C/Cl ZINC000388757970 711066978 /nfs/dbraw/zinc/06/69/78/711066978.db2.gz SKRQQJZITGQGOH-HDMKULJXSA-N 0 1 231.748 2.432 20 0 BEADMN OCC[C@@H](NCC1(F)CC1)c1cccs1 ZINC000389855225 711091791 /nfs/dbraw/zinc/09/17/91/711091791.db2.gz ANADZTWCJAFELR-SECBINFHSA-N 0 1 229.320 2.263 20 0 BEADMN CCN(Cc1ccnc(Cl)c1)[C@@H]1CCOC1 ZINC000390636066 711129798 /nfs/dbraw/zinc/12/97/98/711129798.db2.gz JPQJGEUXNYODHH-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN CCN(Cc1ccnc(Cl)c1)[C@H]1CCOC1 ZINC000390636070 711129836 /nfs/dbraw/zinc/12/98/36/711129836.db2.gz JPQJGEUXNYODHH-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CCOC(=O)/C=C\CN(C)Cc1ccccc1 ZINC000390788460 711134867 /nfs/dbraw/zinc/13/48/67/711134867.db2.gz AJUGCUNEFJXUJM-YFHOEESVSA-N 0 1 233.311 2.238 20 0 BEADMN C[C@H]1C[C@@H](NCc2ncc(Cl)n2C)CS1 ZINC000393297112 711156268 /nfs/dbraw/zinc/15/62/68/711156268.db2.gz FJPHDGZFOULIOC-JGVFFNPUSA-N 0 1 245.779 2.057 20 0 BEADMN CSC1(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CCC1 ZINC000393654332 711168173 /nfs/dbraw/zinc/16/81/73/711168173.db2.gz ZLFWXBPQGUFJKB-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN COC(=O)CC(C)(C)NC/C(Cl)=C\Cl ZINC000393690810 711169676 /nfs/dbraw/zinc/16/96/76/711169676.db2.gz OFHVUIDFSYPNHD-FNORWQNLSA-N 0 1 240.130 2.237 20 0 BEADMN C[C@@H](C[N@@H+](C)CCSC(C)(C)C)C(=O)[O-] ZINC000393725897 711171525 /nfs/dbraw/zinc/17/15/25/711171525.db2.gz BBZPMKXDHGWDTA-VIFPVBQESA-N 0 1 233.377 2.171 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCCC1CC1 ZINC000394523335 711193844 /nfs/dbraw/zinc/19/38/44/711193844.db2.gz WHPULEUJTREPDT-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN COC(=O)/C(C)=C/CN[C@@H](C)c1cccc(O)c1 ZINC000394966415 711199867 /nfs/dbraw/zinc/19/98/67/711199867.db2.gz SWGAUHFPNBDXRX-HUYFXPKMSA-N 0 1 249.310 2.162 20 0 BEADMN COC(=O)/C(C)=C\CN[C@@H](C)c1cccc(O)c1 ZINC000394966414 711200071 /nfs/dbraw/zinc/20/00/71/711200071.db2.gz SWGAUHFPNBDXRX-BRNRAETOSA-N 0 1 249.310 2.162 20 0 BEADMN CCON1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000398085443 711400608 /nfs/dbraw/zinc/40/06/08/711400608.db2.gz HVGSEIPWBFHAOT-NSHDSACASA-N 0 1 248.317 2.180 20 0 BEADMN C[C@H](NCCc1cccs1)c1csnn1 ZINC000398241894 711405703 /nfs/dbraw/zinc/40/57/03/711405703.db2.gz PLWFMNSWYNYZOK-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000398303476 711406659 /nfs/dbraw/zinc/40/66/59/711406659.db2.gz SQYQQWGQIUBXEZ-SDDRHHMPSA-N 0 1 234.347 2.253 20 0 BEADMN C[C@@H]1COCCCN1Cc1ccc(O)c(F)c1 ZINC000398925822 711417573 /nfs/dbraw/zinc/41/75/73/711417573.db2.gz NEDOMMWDYDSDRJ-SNVBAGLBSA-N 0 1 239.290 2.142 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000380898681 710594590 /nfs/dbraw/zinc/59/45/90/710594590.db2.gz URCFLNFJJQTPKQ-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN CC(C)OC[C@@H](C)NCc1cccnc1F ZINC000381034303 710597787 /nfs/dbraw/zinc/59/77/87/710597787.db2.gz BACGAPYUUDCYCV-SNVBAGLBSA-N 0 1 226.295 2.124 20 0 BEADMN Cc1sccc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000381200949 710608367 /nfs/dbraw/zinc/60/83/67/710608367.db2.gz BRURUPSTOWFKDS-GFCCVEGCSA-N 0 1 239.340 2.353 20 0 BEADMN CC(C)C(=O)N(C)C1CN(CCC(C)(C)C)C1 ZINC001042489829 710787141 /nfs/dbraw/zinc/78/71/41/710787141.db2.gz XZUBQKZKVKGJPK-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1cnn(-c2ccccc2)n1 ZINC000384974741 711001643 /nfs/dbraw/zinc/00/16/43/711001643.db2.gz HVONOMBPYHNAFK-BXUZGUMPSA-N 0 1 242.326 2.155 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(C)cc2)n[nH]1 ZINC000392374742 711144749 /nfs/dbraw/zinc/14/47/49/711144749.db2.gz NZYOVDWFVPDTKK-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(F)cc2C)n[nH]1 ZINC000392440800 711146590 /nfs/dbraw/zinc/14/65/90/711146590.db2.gz ADHWPNKSQXMZHH-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN Cc1cncc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000397044046 711375677 /nfs/dbraw/zinc/37/56/77/711375677.db2.gz XJUXREWKCHKXLK-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cncc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000397044043 711375734 /nfs/dbraw/zinc/37/57/34/711375734.db2.gz XJUXREWKCHKXLK-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@@H](C)O2)sc1C ZINC000398129597 711401979 /nfs/dbraw/zinc/40/19/79/711401979.db2.gz DQVLZVZCVPJFKB-KCJUWKMLSA-N 0 1 240.372 2.417 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722620800 711455788 /nfs/dbraw/zinc/45/57/88/711455788.db2.gz JVHKDAFMNYOIFG-GHMZBOCLSA-N 0 1 245.388 2.171 20 0 BEADMN CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722638782 711456742 /nfs/dbraw/zinc/45/67/42/711456742.db2.gz SSQDUFAAMVXAJA-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722638783 711456985 /nfs/dbraw/zinc/45/69/85/711456985.db2.gz SSQDUFAAMVXAJA-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1[nH+]c(N(C)CC(C)C)ccc1C(=O)[O-] ZINC000133890049 711475129 /nfs/dbraw/zinc/47/51/29/711475129.db2.gz UXHGLXUFFUXHIC-UHFFFAOYSA-N 0 1 222.288 2.180 20 0 BEADMN CC(C)[C@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000134185950 711491046 /nfs/dbraw/zinc/49/10/46/711491046.db2.gz PWCONMJBCCPBBB-LURJTMIESA-N 0 1 239.710 2.463 20 0 BEADMN C[C@H](N[C@@H]1CCCC2(CC2)C1)c1ncn(C)n1 ZINC000723598531 711522855 /nfs/dbraw/zinc/52/28/55/711522855.db2.gz BAYONNUZADNHDD-WDEREUQCSA-N 0 1 234.347 2.189 20 0 BEADMN C[C@@H](N[C@@H]1CCCC2(CC2)C1)c1ncn(C)n1 ZINC000723598528 711523036 /nfs/dbraw/zinc/52/30/36/711523036.db2.gz BAYONNUZADNHDD-GHMZBOCLSA-N 0 1 234.347 2.189 20 0 BEADMN CC(=O)C1CCN(Cc2cc(C)cc(C)n2)CC1 ZINC000723623277 711526810 /nfs/dbraw/zinc/52/68/10/711526810.db2.gz ZHHTUHBLMXADHZ-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN Cc1cc(C)nc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000723867571 711540092 /nfs/dbraw/zinc/54/00/92/711540092.db2.gz KZFHYDPRNWGZDM-LLVKDONJSA-N 0 1 248.326 2.136 20 0 BEADMN Cc1cc(C)nc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000723867571 711540093 /nfs/dbraw/zinc/54/00/93/711540093.db2.gz KZFHYDPRNWGZDM-LLVKDONJSA-N 0 1 248.326 2.136 20 0 BEADMN CC[C@H](N[C@H](C)C(F)F)[C@@H]1CCCOC1 ZINC000724010139 711555437 /nfs/dbraw/zinc/55/54/37/711555437.db2.gz PNEQRHDGWWKACY-BBBLOLIVSA-N 0 1 221.291 2.435 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1ccc(Cl)nc1 ZINC000724123306 711562408 /nfs/dbraw/zinc/56/24/08/711562408.db2.gz WKMCWULVLZVUGV-MNOVXSKESA-N 0 1 240.734 2.344 20 0 BEADMN CC(C)CSCCCN1CC[C@H](O)[C@H](F)C1 ZINC000934565587 711594388 /nfs/dbraw/zinc/59/43/88/711594388.db2.gz IAMTWMLWGUKZGK-NEPJUHHUSA-N 0 1 249.395 2.170 20 0 BEADMN Cc1cccc(N(C)Cc2cnc[nH]2)c1 ZINC000724780837 711613841 /nfs/dbraw/zinc/61/38/41/711613841.db2.gz QMDTXSXHISYUTI-UHFFFAOYSA-N 0 1 201.273 2.355 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC23CC(O)C3)o1 ZINC000724931345 711630336 /nfs/dbraw/zinc/63/03/36/711630336.db2.gz MPZXLBYQSHQELO-AVJLOEKESA-N 0 1 247.338 2.406 20 0 BEADMN Cc1nc2c(n1C[C@@H](O)C(C)C)CCCC2 ZINC000133784370 711641530 /nfs/dbraw/zinc/64/15/30/711641530.db2.gz HVLHIYAOJINFFR-CYBMUJFWSA-N 0 1 222.332 2.087 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(C)cc(F)c2)no1 ZINC000162479697 711680126 /nfs/dbraw/zinc/68/01/26/711680126.db2.gz LGSSBXVCCKUXHM-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000136276761 711694818 /nfs/dbraw/zinc/69/48/18/711694818.db2.gz ZGZYGPAIRCMMOF-DTWKUNHWSA-N 0 1 238.287 2.136 20 0 BEADMN Cc1cc(C[N@H+]2CCC=C(C)C2)oc1C(=O)[O-] ZINC000382546222 711694957 /nfs/dbraw/zinc/69/49/57/711694957.db2.gz ZSDZHHNJTQHYHZ-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN CC(C)OC1CC(N2Cc3c[nH]nc3[C@H](C)C2)C1 ZINC000931462049 711720122 /nfs/dbraw/zinc/72/01/22/711720122.db2.gz JPNYFPJWJAOPKH-QFWMXSHPSA-N 0 1 249.358 2.285 20 0 BEADMN CCOC(=O)/C=C\CN1CCC(CCF)CC1 ZINC000931465393 711725397 /nfs/dbraw/zinc/72/53/97/711725397.db2.gz PVEYCDBILWZZAG-ARJAWSKDSA-N 0 1 243.322 2.177 20 0 BEADMN c1nc(CNC[C@@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722312921 711734282 /nfs/dbraw/zinc/73/42/82/711734282.db2.gz MQGYHFRQEKVFEZ-NWDGAFQWSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@@H](C[N@@H+](C)CCc1cccc(F)c1)C(=O)[O-] ZINC000258958097 711745089 /nfs/dbraw/zinc/74/50/89/711745089.db2.gz VLRJASLVSZMBHS-JTQLQIEISA-N 0 1 239.290 2.021 20 0 BEADMN CC(C)=CCN1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001038155159 711753685 /nfs/dbraw/zinc/75/36/85/711753685.db2.gz XQGBKPBYSGCFRL-CQSZACIVSA-N 0 1 248.370 2.253 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000896867086 711782557 /nfs/dbraw/zinc/78/25/57/711782557.db2.gz BQXNQGXPUYTRGK-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN C/C(=C\C(=O)OCCN1CCC1)C(C)(C)C ZINC000861388774 711790814 /nfs/dbraw/zinc/79/08/14/711790814.db2.gz XNBJZYDOYUDBKH-ZHACJKMWSA-N 0 1 225.332 2.228 20 0 BEADMN Cc1cnc(CN2CCCCC[C@@H]2CCO)o1 ZINC000342076824 711793388 /nfs/dbraw/zinc/79/33/88/711793388.db2.gz ZTWUSGZTKXSITQ-GFCCVEGCSA-N 0 1 238.331 2.110 20 0 BEADMN Cc1occc1-c1noc(CNC(C)C)n1 ZINC000160399825 711808219 /nfs/dbraw/zinc/80/82/19/711808219.db2.gz JDLXXOOYJLVRCG-UHFFFAOYSA-N 0 1 221.260 2.136 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000160592652 711809009 /nfs/dbraw/zinc/80/90/09/711809009.db2.gz FKJFYYYBKYWYEE-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(CC(C)C)CC1 ZINC000046041859 711828680 /nfs/dbraw/zinc/82/86/80/711828680.db2.gz TXRWYJMTRJNZAQ-MLPAPPSSSA-N 0 1 238.375 2.143 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccs2)[C@H](C(=O)[O-])C1 ZINC000167604700 711830169 /nfs/dbraw/zinc/83/01/69/711830169.db2.gz WMMJAPCYSNLRDG-KOLCDFICSA-N 0 1 239.340 2.433 20 0 BEADMN CCCOC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000916576976 711873078 /nfs/dbraw/zinc/87/30/78/711873078.db2.gz HNDJEYDYUMLWQH-UHFFFAOYSA-N 0 1 247.338 2.388 20 0 BEADMN CC(C)[C@@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000134185761 711882630 /nfs/dbraw/zinc/88/26/30/711882630.db2.gz PWCONMJBCCPBBB-ZCFIWIBFSA-N 0 1 239.710 2.463 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032566269 711926151 /nfs/dbraw/zinc/92/61/51/711926151.db2.gz JWKXOJQIPNGNDP-IHRRRGAJSA-N 0 1 248.370 2.038 20 0 BEADMN CC[C@@H]1C[C@H]1COC(=O)[C@@H](C(C)C)N(C)C ZINC000922664941 711975289 /nfs/dbraw/zinc/97/52/89/711975289.db2.gz UEAXOPKOKWCORF-GRYCIOLGSA-N 0 1 227.348 2.162 20 0 BEADMN CS[C@@H]1CC[C@H](NCc2ncc(C)o2)C1 ZINC000700369262 711990310 /nfs/dbraw/zinc/99/03/10/711990310.db2.gz YWEYOTPLLMNTCK-VHSXEESVSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@@H]1CCCN(Cc2cscn2)[C@H]1CCO ZINC000700365044 711990558 /nfs/dbraw/zinc/99/05/58/711990558.db2.gz QWIWHZFCYYNDJP-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)o1 ZINC000701457230 712023425 /nfs/dbraw/zinc/02/34/25/712023425.db2.gz KJGFHJXZGPHICO-FZMZJTMJSA-N 0 1 249.310 2.275 20 0 BEADMN Cc1nnc(CN[C@]2(C)CC2(C)C)s1 ZINC000702010511 712036650 /nfs/dbraw/zinc/03/66/50/712036650.db2.gz SKJKBIDGCLBVRE-SNVBAGLBSA-N 0 1 211.334 2.125 20 0 BEADMN CCC(=O)N[C@@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034059959 712037465 /nfs/dbraw/zinc/03/74/65/712037465.db2.gz FLTYOCRNTVJAAE-OKPNEXGHSA-N 0 1 244.766 2.120 20 0 BEADMN CCC(=O)N[C@@H]1CCCCN(C/C=C/Cl)C1 ZINC001034059959 712037467 /nfs/dbraw/zinc/03/74/67/712037467.db2.gz FLTYOCRNTVJAAE-OKPNEXGHSA-N 0 1 244.766 2.120 20 0 BEADMN C[C@H](F)CCNc1nc(Cl)nc2[nH]cnc21 ZINC000702644711 712058214 /nfs/dbraw/zinc/05/82/14/712058214.db2.gz NOPAVHXTKQRUCI-YFKPBYRVSA-N 0 1 243.673 2.118 20 0 BEADMN CCc1nnc(CNCCC2(C)CC2)s1 ZINC000702684913 712059503 /nfs/dbraw/zinc/05/95/03/712059503.db2.gz PMOKOTSAXNWSJQ-UHFFFAOYSA-N 0 1 225.361 2.380 20 0 BEADMN CC[C@@H](N[C@H]1CNOC1)c1cccc(Cl)c1 ZINC000703331652 712070790 /nfs/dbraw/zinc/07/07/90/712070790.db2.gz AIQJVWWGBCQWET-NWDGAFQWSA-N 0 1 240.734 2.284 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1ccc2c(c1)CCCC2 ZINC000703372217 712074049 /nfs/dbraw/zinc/07/40/49/712074049.db2.gz HLGGDNNQFKCADG-ABAIWWIYSA-N 0 1 246.354 2.119 20 0 BEADMN CC(C)c1ccc([C@@H](C)N[C@@H]2CNOC2)cc1 ZINC000703381062 712074707 /nfs/dbraw/zinc/07/47/07/712074707.db2.gz NUHDFDIUAJBPMA-BXUZGUMPSA-N 0 1 234.343 2.364 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000705175014 712125631 /nfs/dbraw/zinc/12/56/31/712125631.db2.gz UJLNOVFNTIUJFG-LOWVWBTDSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000705175012 712125738 /nfs/dbraw/zinc/12/57/38/712125738.db2.gz UJLNOVFNTIUJFG-GVXVVHGQSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1cnccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000705301585 712127727 /nfs/dbraw/zinc/12/77/27/712127727.db2.gz BHLBBPUMZXQIRH-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)n1ncnc1CN[C@H](C)C1(C)CC1 ZINC000706905398 712160372 /nfs/dbraw/zinc/16/03/72/712160372.db2.gz YCHIZJCFSUCNDR-SNVBAGLBSA-N 0 1 222.336 2.137 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]3C[C@H]32)cc1F ZINC000707022231 712164220 /nfs/dbraw/zinc/16/42/20/712164220.db2.gz YTCZHXLGFBUXOY-GXFFZTMASA-N 0 1 249.285 2.207 20 0 BEADMN CC(C)[C@@H]1CN(CCC(=O)C(C)(C)C)CCO1 ZINC000708884431 712202523 /nfs/dbraw/zinc/20/25/23/712202523.db2.gz XCCFYSHCKWXWJZ-LBPRGKRZSA-N 0 1 241.375 2.349 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC(=O)[O-])CC(C)(C)C ZINC000709073737 712207896 /nfs/dbraw/zinc/20/78/96/712207896.db2.gz GXNFXHGCCIHQKN-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN CCNCc1cn(C[C@@H]2CC3CCC2CC3)nn1 ZINC000709423611 712221820 /nfs/dbraw/zinc/22/18/20/712221820.db2.gz QKJDBCGJABXLEG-BPCQOVAHSA-N 0 1 248.374 2.214 20 0 BEADMN CC(C)CSCCN[C@@H](C)c1cn(C)cn1 ZINC000710011429 712240349 /nfs/dbraw/zinc/24/03/49/712240349.db2.gz HYZIGAVQWWHCSC-NSHDSACASA-N 0 1 241.404 2.460 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cn(C)cn1 ZINC000710023704 712241322 /nfs/dbraw/zinc/24/13/22/712241322.db2.gz MGXRHIIXYVQTQE-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000710096752 712244893 /nfs/dbraw/zinc/24/48/93/712244893.db2.gz SNUDLNJEKJFGKD-XQQFMLRXSA-N 0 1 237.343 2.384 20 0 BEADMN c1snnc1CNC[C@]12C[C@H]1CCCC2 ZINC000710494527 712253706 /nfs/dbraw/zinc/25/37/06/712253706.db2.gz TWFCMNNAHKKGOR-KOLCDFICSA-N 0 1 223.345 2.208 20 0 BEADMN COC1(OC)CC[C@@H]1NCc1ccccc1F ZINC000711041002 712276025 /nfs/dbraw/zinc/27/60/25/712276025.db2.gz KNLFNJKXFVOYAE-LBPRGKRZSA-N 0 1 239.290 2.067 20 0 BEADMN CN[C@@H](C)c1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000711136526 712286356 /nfs/dbraw/zinc/28/63/56/712286356.db2.gz JQUVFHFUHMBUGF-ZJUUUORDSA-N 0 1 224.352 2.241 20 0 BEADMN CC1(C)CC[C@H](CN[C@@H]2CCn3ccnc32)OC1 ZINC000711228222 712289989 /nfs/dbraw/zinc/28/99/89/712289989.db2.gz VQTAYVRMTPBYTG-VXGBXAGGSA-N 0 1 249.358 2.123 20 0 BEADMN CC1(C)CC[C@H](CN[C@H]2CCn3ccnc32)OC1 ZINC000711228211 712290020 /nfs/dbraw/zinc/29/00/20/712290020.db2.gz VQTAYVRMTPBYTG-NEPJUHHUSA-N 0 1 249.358 2.123 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711394644 712297273 /nfs/dbraw/zinc/29/72/73/712297273.db2.gz SGYHRBRUDWYIBF-UHFFFAOYSA-N 0 1 213.302 2.288 20 0 BEADMN COC(=O)c1csc(CN2CC[C@H]3C[C@H]32)c1 ZINC000711442316 712301039 /nfs/dbraw/zinc/30/10/39/712301039.db2.gz XAZYKRCSXREVNE-GZMMTYOYSA-N 0 1 237.324 2.129 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](CF)C2)o1 ZINC000711450189 712301524 /nfs/dbraw/zinc/30/15/24/712301524.db2.gz AJMSRMNKBVEKAL-SECBINFHSA-N 0 1 241.262 2.159 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@@H](CF)C1 ZINC000711449613 712302598 /nfs/dbraw/zinc/30/25/98/712302598.db2.gz GXZSGAATEPCUQK-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](CF)C1 ZINC000711489292 712306294 /nfs/dbraw/zinc/30/62/94/712306294.db2.gz KOPJCCSAYVGLOO-BDAKNGLRSA-N 0 1 241.262 2.330 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000711643283 712313643 /nfs/dbraw/zinc/31/36/43/712313643.db2.gz DMXSNKCXGWAIOV-OKWIKPQFSA-N 0 1 249.354 2.362 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@H+](C1CCCC1)CC2 ZINC000711667369 712318520 /nfs/dbraw/zinc/31/85/20/712318520.db2.gz SNGDKXWWCQCFFE-YPMHNXCESA-N 0 1 223.316 2.258 20 0 BEADMN c1cn(C2CC2)c(CNCCc2ccoc2)n1 ZINC000711762977 712326810 /nfs/dbraw/zinc/32/68/10/712326810.db2.gz IVWXGYCTVKERSB-UHFFFAOYSA-N 0 1 231.299 2.143 20 0 BEADMN Cc1[nH+]c(NC[C@H]2C=CCC2)ccc1C(=O)[O-] ZINC000711770620 712327772 /nfs/dbraw/zinc/32/77/72/712327772.db2.gz NWHQBQBBQFOOMU-JTQLQIEISA-N 0 1 232.283 2.466 20 0 BEADMN C[C@@H]1C[C@H](NCc2nccn2C2CC2)CS1 ZINC000711816066 712332047 /nfs/dbraw/zinc/33/20/47/712332047.db2.gz GOWMNSPWDREYND-ZJUUUORDSA-N 0 1 237.372 2.202 20 0 BEADMN CC(C)C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000738821737 712342773 /nfs/dbraw/zinc/34/27/73/712342773.db2.gz SHYKSXNEEMGJIL-UHFFFAOYSA-N 0 1 240.347 2.249 20 0 BEADMN CCCCN(CCCC)C(=O)Cc1c[nH]cn1 ZINC000142631144 712342827 /nfs/dbraw/zinc/34/28/27/712342827.db2.gz PMSYGTRUMFCVOY-UHFFFAOYSA-N 0 1 237.347 2.381 20 0 BEADMN CC(C)[C@@](C)(CO)NC/C(Cl)=C/Cl ZINC000379417288 712384144 /nfs/dbraw/zinc/38/41/44/712384144.db2.gz UHYAOUCPYZEMQU-USYJTPIQSA-N 0 1 226.147 2.302 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000379714523 712392983 /nfs/dbraw/zinc/39/29/83/712392983.db2.gz POIIPKXVIDIBFX-ZKXNXJMVSA-N 0 1 231.361 2.091 20 0 BEADMN CCc1nnc(CNCCC(C)(C)OC)s1 ZINC000391875725 712399017 /nfs/dbraw/zinc/39/90/17/712399017.db2.gz OZTKNWSYMDOFFI-UHFFFAOYSA-N 0 1 243.376 2.005 20 0 BEADMN c1snnc1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712360161 712403175 /nfs/dbraw/zinc/40/31/75/712403175.db2.gz LJZHGUPDDPTXTD-INTQDDNPSA-N 0 1 223.345 2.206 20 0 BEADMN CC(C)CCCN[C@@H](C)c1nnnn1C1CC1 ZINC000790529555 712421324 /nfs/dbraw/zinc/42/13/24/712421324.db2.gz DNRWINZCOTUOIO-JTQLQIEISA-N 0 1 237.351 2.095 20 0 BEADMN Cn1ncc(CN[C@]2(C)CC2(C)C)c1Cl ZINC000712445198 712430648 /nfs/dbraw/zinc/43/06/48/712430648.db2.gz WULOVDJTTTULTI-LLVKDONJSA-N 0 1 227.739 2.352 20 0 BEADMN CN1CC[C@H]1CNc1ncccc1C(F)(F)F ZINC000712615085 712438205 /nfs/dbraw/zinc/43/82/05/712438205.db2.gz NHLWNTZJBZEQLR-QMMMGPOBSA-N 0 1 245.248 2.216 20 0 BEADMN CCN1CC[C@@H]1CN[C@H](C)c1csc(C)n1 ZINC000712574519 712448270 /nfs/dbraw/zinc/44/82/70/712448270.db2.gz WPIYGJQBBAMHHO-MWLCHTKSSA-N 0 1 239.388 2.196 20 0 BEADMN C[C@@H]1CCC(C)(C)C[C@@H]1NCc1ncn(C)n1 ZINC000713026458 712451367 /nfs/dbraw/zinc/45/13/67/712451367.db2.gz LLEQHYPHNXNCFX-MNOVXSKESA-N 0 1 236.363 2.120 20 0 BEADMN Cc1ccc(CNC[C@H]2CCC(C)(C)CO2)nn1 ZINC000713614666 712467339 /nfs/dbraw/zinc/46/73/39/712467339.db2.gz SQIPEJVUXIXECD-CYBMUJFWSA-N 0 1 249.358 2.080 20 0 BEADMN C=C/C=C/CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000713711100 712470183 /nfs/dbraw/zinc/47/01/83/712470183.db2.gz LFJXXFMDGYWLMJ-RVAOTSRCSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CCN1CCC[C@@H]1C(=O)OCC ZINC000713742422 712471171 /nfs/dbraw/zinc/47/11/71/712471171.db2.gz BAIMLEHOGGFVDT-BTDICHCPSA-N 0 1 223.316 2.146 20 0 BEADMN C=C/C=C/CCN(CC(=O)OCC)C(C)C ZINC000713747640 712471184 /nfs/dbraw/zinc/47/11/84/712471184.db2.gz PSZPDRLLEOVDLV-BQYQJAHWSA-N 0 1 225.332 2.392 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714339311 712482967 /nfs/dbraw/zinc/48/29/67/712482967.db2.gz NRZRVHPLAUNORM-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN CCCn1cc(CNCC2=CCCCC2)nn1 ZINC000714417189 712485496 /nfs/dbraw/zinc/48/54/96/712485496.db2.gz LATHFQOIHIKTSU-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN CCCn1cc(CNCCc2ccccc2)nn1 ZINC000714492947 712492519 /nfs/dbraw/zinc/49/25/19/712492519.db2.gz PKVRULGAXNSTMF-UHFFFAOYSA-N 0 1 244.342 2.020 20 0 BEADMN CC(C)C1CC(NCc2csc(N)n2)C1 ZINC000714656458 712495068 /nfs/dbraw/zinc/49/50/68/712495068.db2.gz FTHKOORJXVJWSS-UHFFFAOYSA-N 0 1 225.361 2.250 20 0 BEADMN CCc1ccc(CN(C)CC(OC)OC)cc1 ZINC000714687997 712495907 /nfs/dbraw/zinc/49/59/07/712495907.db2.gz MMVNCDMMXLOBBE-UHFFFAOYSA-N 0 1 237.343 2.300 20 0 BEADMN CC(C)NCc1cn(CC[C@@H]2C[C@H]2C2CC2)nn1 ZINC000714842779 712501632 /nfs/dbraw/zinc/50/16/32/712501632.db2.gz TVFCBEFLTFFZRM-OCCSQVGLSA-N 0 1 248.374 2.212 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCCF ZINC000714953484 712503650 /nfs/dbraw/zinc/50/36/50/712503650.db2.gz KCJFYLRBAKFNEZ-QMMMGPOBSA-N 0 1 229.251 2.330 20 0 BEADMN CCC[C@@](C)(N)c1nc(CC(C)C)no1 ZINC000036865027 712504823 /nfs/dbraw/zinc/50/48/23/712504823.db2.gz UZSCIPFIJVYMBZ-LLVKDONJSA-N 0 1 211.309 2.242 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@@H]1CC12CC2 ZINC000715238451 712513701 /nfs/dbraw/zinc/51/37/01/712513701.db2.gz LLTSTXTWXBPROY-SECBINFHSA-N 0 1 225.723 2.024 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000715437783 712518777 /nfs/dbraw/zinc/51/87/77/712518777.db2.gz BJEYMYWTQYOPTP-XWIASGKRSA-N 0 1 237.343 2.360 20 0 BEADMN Cc1ncc(CNC[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000715391797 712522526 /nfs/dbraw/zinc/52/25/26/712522526.db2.gz WSXXJLFGBPHUBM-WCQYABFASA-N 0 1 236.315 2.030 20 0 BEADMN c1nc2c(ncnc2NCC[C@H]2CCCS2)[nH]1 ZINC000715643085 712529956 /nfs/dbraw/zinc/52/99/56/712529956.db2.gz MCDGRXRBADCZRP-MRVPVSSYSA-N 0 1 249.343 2.002 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](Cc3ccco3)C[C@H]1CCCC2 ZINC000715765858 712532494 /nfs/dbraw/zinc/53/24/94/712532494.db2.gz OFDUAAUMVUUUDZ-BXUZGUMPSA-N 0 1 249.310 2.356 20 0 BEADMN CCCn1cc([C@H](C)NCCC(C)(C)F)nn1 ZINC000715950321 712545032 /nfs/dbraw/zinc/54/50/32/712545032.db2.gz KVGCIKYBLPAUIN-JTQLQIEISA-N 0 1 242.342 2.477 20 0 BEADMN Cc1[nH]nc(CNc2ccccn2)c1C ZINC000716444642 712561024 /nfs/dbraw/zinc/56/10/24/712561024.db2.gz ZFQYKAHKODKICW-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)C(F)(F)F)c1C ZINC000716449416 712561546 /nfs/dbraw/zinc/56/15/46/712561546.db2.gz BAPKSQLUMICWCO-ZETCQYMHSA-N 0 1 221.226 2.067 20 0 BEADMN Cc1n[nH]c(CNCc2ccnc(C)c2)c1C ZINC000716457048 712562427 /nfs/dbraw/zinc/56/24/27/712562427.db2.gz UCOHFKYQAPDVHA-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000716458982 712562436 /nfs/dbraw/zinc/56/24/36/712562436.db2.gz DNSQXKHDMMJLQN-RGOKHQFPSA-N 0 1 233.315 2.167 20 0 BEADMN Cc1n[nH]c(CNCc2cccc(O)c2)c1C ZINC000716455741 712562648 /nfs/dbraw/zinc/56/26/48/712562648.db2.gz MWTQGAWVAZRSGA-UHFFFAOYSA-N 0 1 231.299 2.022 20 0 BEADMN CC(C)n1ncnc1CNC[C@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000716634180 712567990 /nfs/dbraw/zinc/56/79/90/712567990.db2.gz FRYMIVKXILBUDB-NDBYEHHHSA-N 0 1 248.374 2.241 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)o1 ZINC000716655652 712569085 /nfs/dbraw/zinc/56/90/85/712569085.db2.gz CNQDJLCTBPIHSK-KLHWPWHYSA-N 0 1 220.316 2.365 20 0 BEADMN CN(CCCF)C(=O)c1ccc(O)c(Cl)c1 ZINC000716736358 712571457 /nfs/dbraw/zinc/57/14/57/712571457.db2.gz RRMGBOCCCHOPRP-UHFFFAOYSA-N 0 1 245.681 2.477 20 0 BEADMN CCc1nc(CN[C@H](CC)C[C@H](C)O)cs1 ZINC000716796686 712574171 /nfs/dbraw/zinc/57/41/71/712574171.db2.gz GFULNXFTYLQVNL-VHSXEESVSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@H](C[C@@H](C)O)Nc1ccnc(C)c1Cl ZINC000716879995 712580119 /nfs/dbraw/zinc/58/01/19/712580119.db2.gz MEFUMBBKFJJPEY-PSASIEDQSA-N 0 1 242.750 2.427 20 0 BEADMN CC[C@@H](C[C@H](C)O)Nc1ccnc(C)c1Cl ZINC000716880000 712580276 /nfs/dbraw/zinc/58/02/76/712580276.db2.gz MEFUMBBKFJJPEY-WPRPVWTQSA-N 0 1 242.750 2.427 20 0 BEADMN O=C1CN(CCCC2CCCCC2)CCCN1 ZINC000809552974 712584224 /nfs/dbraw/zinc/58/42/24/712584224.db2.gz UZIJVUUGKHQVRC-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN Cn1c(C[N@@H+](C)[C@H]2CCSC2)cnc1Cl ZINC000848881939 712610333 /nfs/dbraw/zinc/61/03/33/712610333.db2.gz UCFYSFLXBQTKHJ-QMMMGPOBSA-N 0 1 245.779 2.011 20 0 BEADMN CN(Cc1cnc(Cl)n1C)[C@H]1CCSC1 ZINC000848881939 712610334 /nfs/dbraw/zinc/61/03/34/712610334.db2.gz UCFYSFLXBQTKHJ-QMMMGPOBSA-N 0 1 245.779 2.011 20 0 BEADMN Cc1csc(CNCCOC2CCC2)n1 ZINC000379963673 712636837 /nfs/dbraw/zinc/63/68/37/712636837.db2.gz XZEAJYSUJTXFEH-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@H]2CC(C)(C)CO2)c2nccn21 ZINC000717588489 712661382 /nfs/dbraw/zinc/66/13/82/712661382.db2.gz JVAIHKXSPOURDN-WOPDTQHZSA-N 0 1 249.358 2.294 20 0 BEADMN Cc1nnc([C@@H](C)NCCCC2CC2)o1 ZINC000380122882 712688438 /nfs/dbraw/zinc/68/84/38/712688438.db2.gz QZJAEUUONGSAPY-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN c1cc2n(c1)CCN(CCc1cscn1)C2 ZINC000932525425 712717803 /nfs/dbraw/zinc/71/78/03/712717803.db2.gz XMOYKQIJWSZCOX-UHFFFAOYSA-N 0 1 233.340 2.003 20 0 BEADMN Cc1noc(CN2CCCCCCC2)n1 ZINC000042288961 712720139 /nfs/dbraw/zinc/72/01/39/712720139.db2.gz BETQFZDHGKTUMV-UHFFFAOYSA-N 0 1 209.293 2.144 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C(C)C)C1CC1 ZINC000158948121 712722555 /nfs/dbraw/zinc/72/25/55/712722555.db2.gz GUVONEJGQUWFNM-SNVBAGLBSA-N 0 1 213.321 2.201 20 0 BEADMN Fc1c(Cl)cccc1CN[C@]12C[C@H]1COC2 ZINC000718092453 712742232 /nfs/dbraw/zinc/74/22/32/712742232.db2.gz LSKUKKKCMLSIPV-CABZTGNLSA-N 0 1 241.693 2.358 20 0 BEADMN CCOC[C@H](C)NCc1cnc(Cl)s1 ZINC000718139727 712748220 /nfs/dbraw/zinc/74/82/20/712748220.db2.gz NSNUGJJKSCQZMQ-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN CC[C@H]1C[C@H](NCc2cnc(Cl)s2)CO1 ZINC000718185794 712752281 /nfs/dbraw/zinc/75/22/81/712752281.db2.gz HNAFSXBLOMXTGP-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000718619026 712774024 /nfs/dbraw/zinc/77/40/24/712774024.db2.gz XOVBUAYSAYIBLD-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN CO[C@H]1CCC[C@@H](NCC(F)F)CC1 ZINC000718815763 712784299 /nfs/dbraw/zinc/78/42/99/712784299.db2.gz VCSCCGGBOGGLIA-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCC=CCCC2)[nH]1 ZINC000719021260 712793936 /nfs/dbraw/zinc/79/39/36/712793936.db2.gz SQCBWCMPSROZEL-JTQLQIEISA-N 0 1 234.303 2.188 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)c1nnc[nH]1 ZINC000719031587 712794233 /nfs/dbraw/zinc/79/42/33/712794233.db2.gz SDMGNWUEYQIZHQ-GHMZBOCLSA-N 0 1 248.330 2.118 20 0 BEADMN CO[C@H]1C[C@H](NCc2nocc2C)C12CCC2 ZINC000720369836 712836157 /nfs/dbraw/zinc/83/61/57/712836157.db2.gz OQOHMLNDFBSMSV-RYUDHWBXSA-N 0 1 236.315 2.030 20 0 BEADMN CS[C@@H]1CC[C@@H](NCc2cc(C)on2)C1 ZINC000720411372 712840804 /nfs/dbraw/zinc/84/08/04/712840804.db2.gz GNMVLCRZYSGQMZ-MWLCHTKSSA-N 0 1 226.345 2.357 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)no1 ZINC000720411381 712840851 /nfs/dbraw/zinc/84/08/51/712840851.db2.gz HDATUFSUVDVJHW-JBSCMGISSA-N 0 1 220.316 2.365 20 0 BEADMN c1cc(CN[C@H]2CC23CCCCC3)no1 ZINC000720418375 712841261 /nfs/dbraw/zinc/84/12/61/712841261.db2.gz XOZWARZFKGWIIV-NSHDSACASA-N 0 1 206.289 2.487 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(C)CC(F)(F)C2)n1 ZINC000720438696 712842838 /nfs/dbraw/zinc/84/28/38/712842838.db2.gz BXLQVYRUYVWKJP-ZETCQYMHSA-N 0 1 245.273 2.412 20 0 BEADMN C[C@H]1CCN(CCC(=O)c2ccccc2)CCO1 ZINC000720511947 712848008 /nfs/dbraw/zinc/84/80/08/712848008.db2.gz MCYJMFUCIQFSAE-ZDUSSCGKSA-N 0 1 247.338 2.370 20 0 BEADMN Cc1cc([C@H](C)NCC[N+](=O)[O-])c(C)s1 ZINC000380296201 712864164 /nfs/dbraw/zinc/86/41/64/712864164.db2.gz CSUJRKUGZOQNBG-QMMMGPOBSA-N 0 1 228.317 2.292 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H](C)[C@H]2CCCO2)n1 ZINC000720612265 712859217 /nfs/dbraw/zinc/85/92/17/712859217.db2.gz ANCXMARMJYCRND-AEJSXWLSSA-N 0 1 239.319 2.008 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1n[nH]c2ccccc21 ZINC000721188899 712896740 /nfs/dbraw/zinc/89/67/40/712896740.db2.gz OVKPVAGOXBHGLE-LLVKDONJSA-N 0 1 241.294 2.235 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1CC[C@@H](C)SC ZINC001208149048 957020313 /nfs/dbraw/zinc/02/03/13/957020313.db2.gz YJOVLUXIXRDVQA-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN COC(=O)[C@@H]1CCN1C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208164263 957049331 /nfs/dbraw/zinc/04/93/31/957049331.db2.gz ZMUYHJMIDJZPOE-AVGNSLFASA-N 0 1 237.343 2.226 20 0 BEADMN C[C@@H](CN1C[C@@H](C)[C@@H](F)C1)C(F)(F)F ZINC001208886797 957209498 /nfs/dbraw/zinc/20/94/98/957209498.db2.gz HLXXKSISDOXXGF-CSMHCCOUSA-N 0 1 213.218 2.475 20 0 BEADMN Cc1cnc(N2C[C@@H](C)N(C)C[C@@H]2C)c(F)c1 ZINC001164632146 719152640 /nfs/dbraw/zinc/15/26/40/719152640.db2.gz PPJOVYRKJBDSAP-MNOVXSKESA-N 0 1 237.322 2.058 20 0 BEADMN Cc1cc(F)cnc1N1C[C@H](C)N(C)C[C@H]1C ZINC001164636556 719169623 /nfs/dbraw/zinc/16/96/23/719169623.db2.gz MOJFLKKCDHHPOE-WDEREUQCSA-N 0 1 237.322 2.058 20 0 BEADMN Cc1cnc(N(C)C[C@@H]2CC2(C)C)c(N)c1 ZINC001167092570 957274423 /nfs/dbraw/zinc/27/44/23/957274423.db2.gz QNOAXDJUBLOXJJ-JTQLQIEISA-N 0 1 219.332 2.455 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)cc(C)c1F ZINC001143377517 957475426 /nfs/dbraw/zinc/47/54/26/957475426.db2.gz YAFPAJHLMPGMDO-UHFFFAOYSA-N 0 1 236.334 2.190 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@@H](C)CC1 ZINC000082604870 957797447 /nfs/dbraw/zinc/79/74/47/957797447.db2.gz LQTYLGRJFUQDPC-MXBGMFSPSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H](CSCC[C@@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000083051100 957817961 /nfs/dbraw/zinc/81/79/61/957817961.db2.gz AOFZNIPTNQPBQT-MNOVXSKESA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H]1CC(=O)CCN1C[C@H]1CCOC(C)(C)C1 ZINC001207354285 959226535 /nfs/dbraw/zinc/22/65/35/959226535.db2.gz SYOJNXJMYIWABS-NEPJUHHUSA-N 0 1 239.359 2.245 20 0 BEADMN C[C@H]1CCN1Cc1ccc2c(c1)OCCO2 ZINC001141036829 960227363 /nfs/dbraw/zinc/22/73/63/960227363.db2.gz WBMWAKOSGHHOKH-JTQLQIEISA-N 0 1 219.284 2.052 20 0 BEADMN COCC[C@H]1CCCC[N@H+]1Cc1cnco1 ZINC001140931589 960692485 /nfs/dbraw/zinc/69/24/85/960692485.db2.gz MBSNDGABHQMIPF-LLVKDONJSA-N 0 1 224.304 2.066 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(Cl)ccc2N)C1 ZINC000300043786 960803940 /nfs/dbraw/zinc/80/39/40/960803940.db2.gz ZEAKYSVYPYKEPW-LLVKDONJSA-N 0 1 240.734 2.143 20 0 BEADMN Cc1nc(C(F)(F)F)ccc1CN(C)C ZINC001141421452 961063612 /nfs/dbraw/zinc/06/36/12/961063612.db2.gz KIPMPDPRHJGCQU-UHFFFAOYSA-N 0 1 218.222 2.470 20 0 BEADMN CC(C)C1(O)CCN(C/C=C/Cl)CC1 ZINC000710581395 962416552 /nfs/dbraw/zinc/41/65/52/962416552.db2.gz PIUHGGJVMLYKLE-ZZXKWVIFSA-N 0 1 217.740 2.222 20 0 BEADMN CCC(=O)N[C@H]1CCN(C/C=C/Cl)[C@@H]1CC ZINC001087478264 963072131 /nfs/dbraw/zinc/07/21/31/963072131.db2.gz IFBMYYGHUSYJQH-KKSDUGGKSA-N 0 1 244.766 2.118 20 0 BEADMN C[C@H]1CCN(Cc2cscn2)CC[C@@]1(C)O ZINC001137591376 963436198 /nfs/dbraw/zinc/43/61/98/963436198.db2.gz OHXFZXOBJHKNEA-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN CCCNc1nc[nH]c2nc(=S)sc1-2 ZINC001157361430 963584827 /nfs/dbraw/zinc/58/48/27/963584827.db2.gz FIKPWWSYYQWTCJ-UHFFFAOYSA-N 0 1 226.330 2.197 20 0 BEADMN CC[C@@H](Oc1nc(O)cc(=O)[nH]1)C(C)(C)C ZINC001228388660 963771361 /nfs/dbraw/zinc/77/13/61/963771361.db2.gz MCXVUVSISMPLQK-SSDOTTSWSA-N 0 1 226.276 2.091 20 0 BEADMN CCN1CCC[C@H](Oc2ccc(F)nc2F)C1 ZINC001228534000 963847802 /nfs/dbraw/zinc/84/78/02/963847802.db2.gz FDMMYHVLLLUSNZ-VIFPVBQESA-N 0 1 242.269 2.223 20 0 BEADMN CCC[C@@H](CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272038576 963902009 /nfs/dbraw/zinc/90/20/09/963902009.db2.gz NLVFXBAHTSRCQI-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CN(C)/C=C/c1ccncc1NC1CSC1 ZINC001168367899 964849775 /nfs/dbraw/zinc/84/97/75/964849775.db2.gz ZUDOBPMHKRGOQP-GQCTYLIASA-N 0 1 235.356 2.141 20 0 BEADMN C/C=C(/C)C(=O)NC[C@H](C)N(C)C[C@H](F)CC ZINC001485290113 966581983 /nfs/dbraw/zinc/58/19/83/966581983.db2.gz RLGIUVQAACNOKB-RPGNDLBOSA-N 0 1 244.354 2.137 20 0 BEADMN Cc1nnc(SCCc2ccccc2)[nH]1 ZINC000167459037 1165837251 /nfs/dbraw/zinc/83/72/51/1165837251.db2.gz YBRMRKDTZWNMNZ-UHFFFAOYSA-N 0 1 219.313 2.448 20 0 BEADMN Cn1ccnc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001205112172 967359128 /nfs/dbraw/zinc/35/91/28/967359128.db2.gz YJFOEWYMPRIEEI-RYUDHWBXSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001205112172 967359139 /nfs/dbraw/zinc/35/91/39/967359139.db2.gz YJFOEWYMPRIEEI-RYUDHWBXSA-N 0 1 219.332 2.042 20 0 BEADMN CC[C@](C)(N)c1nc(-c2ccncc2C)no1 ZINC000167472045 1165872990 /nfs/dbraw/zinc/87/29/90/1165872990.db2.gz HKPZPAUVTZZJDU-LBPRGKRZSA-N 0 1 232.287 2.024 20 0 BEADMN C[C@@H](COc1cccc(F)c1)NCc1cc[nH]n1 ZINC001648897835 1165882587 /nfs/dbraw/zinc/88/25/87/1165882587.db2.gz CLLNICHBGFKENF-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN CCc1nc(CNC[C@@H](C)C[C@H](C)O)cs1 ZINC000077428593 1165890778 /nfs/dbraw/zinc/89/07/78/1165890778.db2.gz KKNRFHLCPSRURQ-UWVGGRQHSA-N 0 1 242.388 2.202 20 0 BEADMN Cc1cnccc1CN1C[C@@H](F)C[C@H]1C ZINC001205827811 967842470 /nfs/dbraw/zinc/84/24/70/967842470.db2.gz CWOPLQCEESJPAM-PWSUYJOCSA-N 0 1 208.280 2.322 20 0 BEADMN Oc1c(F)cc(-c2ncccn2)cc1F ZINC001250445348 967871138 /nfs/dbraw/zinc/87/11/38/967871138.db2.gz OYERGOUCJBGWHE-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN COc1ccnc(N(C)CC(F)(F)F)c1 ZINC001163707624 968103734 /nfs/dbraw/zinc/10/37/34/968103734.db2.gz XSRCKSDJFJYQBV-UHFFFAOYSA-N 0 1 220.194 2.089 20 0 BEADMN Oc1cc(-c2cncnc2)c(F)c(F)c1F ZINC001250600823 968138723 /nfs/dbraw/zinc/13/87/23/968138723.db2.gz KIWMRKRIVBZKNJ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1cccc2nc([C@H]3CCOC3)[nH]c21 ZINC000082821718 1165927230 /nfs/dbraw/zinc/92/72/30/1165927230.db2.gz JWOODGVVWDEWCN-VIFPVBQESA-N 0 1 202.257 2.375 20 0 BEADMN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccn1 ZINC001250991431 968239241 /nfs/dbraw/zinc/23/92/41/968239241.db2.gz JUZOAXYYNZXDOZ-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN CC[C@@H](O)CNCc1cc(F)c(F)cc1Cl ZINC001251806428 968344750 /nfs/dbraw/zinc/34/47/50/968344750.db2.gz YZQVNLIICITKHZ-MRVPVSSYSA-N 0 1 249.688 2.479 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(C)CCCC2)n1 ZINC000067273223 1166037302 /nfs/dbraw/zinc/03/73/02/1166037302.db2.gz OVXFYYZYGCRETO-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)C2(C)CCCC2)n[nH]1 ZINC000067273223 1166037309 /nfs/dbraw/zinc/03/73/09/1166037309.db2.gz OVXFYYZYGCRETO-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN Cc1cccc2[nH]c(NCC(C)(C)O)[nH+]c21 ZINC001252346041 968624482 /nfs/dbraw/zinc/62/44/82/968624482.db2.gz NTULKSYPSQKXCQ-UHFFFAOYSA-N 0 1 219.288 2.054 20 0 BEADMN Cc1cccc2nc(NCC(C)(C)O)[nH]c21 ZINC001252346041 968624487 /nfs/dbraw/zinc/62/44/87/968624487.db2.gz NTULKSYPSQKXCQ-UHFFFAOYSA-N 0 1 219.288 2.054 20 0 BEADMN Cc1cc(CNc2cncc(C)c2)n[nH]1 ZINC000389845864 1166046293 /nfs/dbraw/zinc/04/62/93/1166046293.db2.gz NWJVGCNQFRGQKZ-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN COCCN(Cc1c(C)noc1C)C(C)C ZINC001207136868 968646915 /nfs/dbraw/zinc/64/69/15/968646915.db2.gz HAVWGNYQOJETTE-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN Cc1noc(C)c1CN1CC[C@H](OC(C)C)C1 ZINC001207139973 968652641 /nfs/dbraw/zinc/65/26/41/968652641.db2.gz UDBGMISIODPIDL-LBPRGKRZSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1ccc(Nc2c[nH]ccc2=O)c2cn[nH]c21 ZINC001215756570 1166053170 /nfs/dbraw/zinc/05/31/70/1166053170.db2.gz BDQFXGVZLLLJQY-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC001207176887 968683639 /nfs/dbraw/zinc/68/36/39/968683639.db2.gz WMJFOKUUTVQVCM-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN COCCN(Cc1ccnn1C(C)C)C(C)C ZINC001207173958 968679175 /nfs/dbraw/zinc/67/91/75/968679175.db2.gz NPYIFSIAEWEPOE-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN CN(Cc1ccon1)C[C@H]1CCOC(C)(C)C1 ZINC001207364499 968743662 /nfs/dbraw/zinc/74/36/62/968743662.db2.gz XOXHRCHXOGWGQO-NSHDSACASA-N 0 1 238.331 2.312 20 0 BEADMN COc1cccc(CCN(C)CCF)c1 ZINC001207434680 968768815 /nfs/dbraw/zinc/76/88/15/968768815.db2.gz SXRRKSMHBCAKND-UHFFFAOYSA-N 0 1 211.280 2.139 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CCCOC1 ZINC001207685968 968861874 /nfs/dbraw/zinc/86/18/74/968861874.db2.gz ZXOLBCWTMPRVQC-JTQLQIEISA-N 0 1 239.290 2.103 20 0 BEADMN CC/C=C(/C)C(=O)N(C)CCCN(C)CCF ZINC001700183639 1166145416 /nfs/dbraw/zinc/14/54/16/1166145416.db2.gz PIIQWZQAEQAAEN-GHXNOFRVSA-N 0 1 244.354 2.093 20 0 BEADMN C[C@]1(F)CCN(C[C@@H]2CCCCO2)C[C@H]1F ZINC001207954349 968949394 /nfs/dbraw/zinc/94/93/94/968949394.db2.gz NURBGSKONBMTIF-TUAOUCFPSA-N 0 1 233.302 2.328 20 0 BEADMN C(CC1CCCC1)CN1C[C@H]2C[C@@H](C1)O2 ZINC001208091598 968996358 /nfs/dbraw/zinc/99/63/58/968996358.db2.gz MOOFTXMQUZSOII-BETUJISGSA-N 0 1 209.333 2.430 20 0 BEADMN CC/C=C\CCCN1CC(N2CC(F)C2)C1 ZINC001208131166 969032277 /nfs/dbraw/zinc/03/22/77/969032277.db2.gz JNOAFJLGOJLTBH-ARJAWSKDSA-N 0 1 226.339 2.071 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CCC[C@@H](C)C1 ZINC000224247034 1166220884 /nfs/dbraw/zinc/22/08/84/1166220884.db2.gz NWKODMCJDIAQLG-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208183715 969118175 /nfs/dbraw/zinc/11/81/75/969118175.db2.gz YQNDESKDIWCPRK-RYUDHWBXSA-N 0 1 225.332 2.084 20 0 BEADMN CCCc1cc(N=C2CCN(C)CC2)on1 ZINC001208720158 969204004 /nfs/dbraw/zinc/20/40/04/969204004.db2.gz YOWICMYBVXPUIN-UHFFFAOYSA-N 0 1 221.304 2.258 20 0 BEADMN CCCCC[C@H](O)C[N@H+]1CCOCC12CCC2 ZINC001253534618 969209091 /nfs/dbraw/zinc/20/90/91/969209091.db2.gz BWMQGOGEFREJLJ-ZDUSSCGKSA-N 0 1 241.375 2.183 20 0 BEADMN CCCCC[C@H](O)CN1CCOCC12CCC2 ZINC001253534618 969209100 /nfs/dbraw/zinc/20/91/00/969209100.db2.gz BWMQGOGEFREJLJ-ZDUSSCGKSA-N 0 1 241.375 2.183 20 0 BEADMN CC(C)CCCN1CC(N2CCC(F)(F)C2)C1 ZINC001208734817 969223027 /nfs/dbraw/zinc/22/30/27/969223027.db2.gz GXZHTWBWAFBOLU-UHFFFAOYSA-N 0 1 246.345 2.448 20 0 BEADMN CCCCC[C@@H](O)CN[C@H](C)c1cc[nH]n1 ZINC001253553879 969226469 /nfs/dbraw/zinc/22/64/69/969226469.db2.gz MKCSHYWNBCYQKU-GHMZBOCLSA-N 0 1 225.336 2.002 20 0 BEADMN CCCCC[C@H](O)CN[C@H](C)c1ccno1 ZINC001253563263 969234447 /nfs/dbraw/zinc/23/44/47/969234447.db2.gz JVUAQARBCRFJBM-MNOVXSKESA-N 0 1 226.320 2.266 20 0 BEADMN COC1(CN[C@H](C)c2nnc(C)s2)CCC1 ZINC000450747110 1166300936 /nfs/dbraw/zinc/30/09/36/1166300936.db2.gz SLJNOMMGJNNZAK-MRVPVSSYSA-N 0 1 241.360 2.066 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2)[nH]1 ZINC000116603116 1166299730 /nfs/dbraw/zinc/29/97/30/1166299730.db2.gz PTMTVSVKCKMENT-UHFFFAOYSA-N 0 1 202.257 2.199 20 0 BEADMN O=C1C[C@H]2CCC[C@@H](C1)N2[C@H]1CCSC1 ZINC000299970472 1166345246 /nfs/dbraw/zinc/34/52/46/1166345246.db2.gz UZFSNWGJQXEYBK-AXFHLTTASA-N 0 1 225.357 2.078 20 0 BEADMN CCN(CCCCOC)CC(=O)OC(C)(C)C ZINC001209218473 969405283 /nfs/dbraw/zinc/40/52/83/969405283.db2.gz GICZALQNEOYOES-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN Cc1noc([C@H](N[C@H](C)C2CC2)C(C)C)n1 ZINC000167719631 1166397167 /nfs/dbraw/zinc/39/71/67/1166397167.db2.gz HGHYYUCXHZURJZ-LDYMZIIASA-N 0 1 223.320 2.463 20 0 BEADMN CC(C)OC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 ZINC000250581252 1166410096 /nfs/dbraw/zinc/41/00/96/1166410096.db2.gz JBNJGKBXQDYDFL-STQMWFEESA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724780786 1166416344 /nfs/dbraw/zinc/41/63/44/1166416344.db2.gz LWENMBCEYAXJLZ-LLVKDONJSA-N 0 1 207.321 2.340 20 0 BEADMN Cc1[nH]ncc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001209554670 969537299 /nfs/dbraw/zinc/53/72/99/969537299.db2.gz LHXDDJOQLRSOMF-SNVBAGLBSA-N 0 1 247.264 2.145 20 0 BEADMN c1cc(CN2CC[C@H]3CCC[C@H]3C2)no1 ZINC001209559177 969544931 /nfs/dbraw/zinc/54/49/31/969544931.db2.gz COPJGNGFVPVART-MNOVXSKESA-N 0 1 206.289 2.297 20 0 BEADMN COC(=O)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000261090173 1166496359 /nfs/dbraw/zinc/49/63/59/1166496359.db2.gz XESHYGSJIRWBOA-ZCFIWIBFSA-N 0 1 238.674 2.493 20 0 BEADMN CO[C@@H](C)CNc1cc(OCC2CC2)ccn1 ZINC001169773352 969846856 /nfs/dbraw/zinc/84/68/56/969846856.db2.gz PDOGOQLNBOGPGW-JTQLQIEISA-N 0 1 236.315 2.317 20 0 BEADMN Cc1nn(C)c(Cl)c1CNC/C=C/C1CC1 ZINC000378673569 1166550557 /nfs/dbraw/zinc/55/05/57/1166550557.db2.gz MONVDOROIFJOKV-ONEGZZNKSA-N 0 1 239.750 2.438 20 0 BEADMN C(=C/C1CC1)\CN=c1nc[nH]c2ccsc21 ZINC000378786798 1166559082 /nfs/dbraw/zinc/55/90/82/1166559082.db2.gz KKEGQHMBDLBPRD-OWOJBTEDSA-N 0 1 231.324 2.491 20 0 BEADMN Cn1cncc1Nc1cc(O)ccc1F ZINC001210798591 970041597 /nfs/dbraw/zinc/04/15/97/970041597.db2.gz SJCIZJCPGJWRMM-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Cc1nc2c(s1)C[N@H+]([C@H]1CCSC1)CC2 ZINC001255289064 970045669 /nfs/dbraw/zinc/04/56/69/970045669.db2.gz DTRYJMJSKSSVRX-VIFPVBQESA-N 0 1 240.397 2.315 20 0 BEADMN Cc1nc2c(s1)CN([C@H]1CCSC1)CC2 ZINC001255289064 970045681 /nfs/dbraw/zinc/04/56/81/970045681.db2.gz DTRYJMJSKSSVRX-VIFPVBQESA-N 0 1 240.397 2.315 20 0 BEADMN Cc1nnc(Nc2cccc(O)c2Cl)o1 ZINC001210844497 970055121 /nfs/dbraw/zinc/05/51/21/970055121.db2.gz KXJLMPMMXJULTE-UHFFFAOYSA-N 0 1 225.635 2.481 20 0 BEADMN CCCCN(CC(=O)OCC)[C@@H]1CCSC1 ZINC001255295134 970059599 /nfs/dbraw/zinc/05/95/99/970059599.db2.gz USGRFEBLOQAFNX-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cnc(C2CC2)[nH]1 ZINC001255311071 970075066 /nfs/dbraw/zinc/07/50/66/970075066.db2.gz VFGFWRLTZAWECJ-MRVPVSSYSA-N 0 1 237.303 2.089 20 0 BEADMN CCCCCN1CCN(C(=O)C=C(C)C)CC1 ZINC001112600529 970108397 /nfs/dbraw/zinc/10/83/97/970108397.db2.gz CSABYNKIRYJWNN-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN Cc1cnc(NC[C@@H](O)C(F)(F)F)c(C)c1 ZINC000394770034 1166617057 /nfs/dbraw/zinc/61/70/57/1166617057.db2.gz ANUZGAMPNSJDIA-MRVPVSSYSA-N 0 1 234.221 2.034 20 0 BEADMN COC1CCC(N2CC(OC(C)C)C2)CC1 ZINC001255464727 970189867 /nfs/dbraw/zinc/18/98/67/970189867.db2.gz NFSQYELDUUMYQL-UHFFFAOYSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@@H]1C[C@H](NCCC(F)F)c2nccn21 ZINC000379166866 1166666719 /nfs/dbraw/zinc/66/67/19/1166666719.db2.gz NSRXSUQRFCOEKC-SFYZADRCSA-N 0 1 215.247 2.134 20 0 BEADMN CCCCCN1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001113199789 970384116 /nfs/dbraw/zinc/38/41/16/970384116.db2.gz KGHACUJTOZMDDN-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2c(ncn2C)C1 ZINC001255656420 970432360 /nfs/dbraw/zinc/43/23/60/970432360.db2.gz UCLQADMTTLPPRH-MRVPVSSYSA-N 0 1 247.264 2.119 20 0 BEADMN COC[C@H]1CCN1[C@@H](C)CC(F)(F)F ZINC001255662086 970443051 /nfs/dbraw/zinc/44/30/51/970443051.db2.gz HJGDFWYTNDTXGD-JGVFFNPUSA-N 0 1 211.227 2.048 20 0 BEADMN CCCC[C@H](COC)NCc1nccs1 ZINC000130643473 1166752243 /nfs/dbraw/zinc/75/22/43/1166752243.db2.gz CULZIQFSKDEADD-SNVBAGLBSA-N 0 1 228.361 2.438 20 0 BEADMN CCC[C@@H](CC(=O)OCC)OCc1cnc[nH]1 ZINC001222999439 1166771026 /nfs/dbraw/zinc/77/10/26/1166771026.db2.gz BNZYWDQNIOZTGB-NSHDSACASA-N 0 1 240.303 2.048 20 0 BEADMN Cc1csc2nc(C)c(CNCCF)n12 ZINC000380044474 1166822032 /nfs/dbraw/zinc/82/20/32/1166822032.db2.gz VKBJQKFSSGSJNQ-UHFFFAOYSA-N 0 1 227.308 2.072 20 0 BEADMN CCN=c1[nH]c(CN(C)CC(C)(C)C)cs1 ZINC000380533980 1166870944 /nfs/dbraw/zinc/87/09/44/1166870944.db2.gz FFKDIXJXVTVWPZ-UHFFFAOYSA-N 0 1 241.404 2.475 20 0 BEADMN CC1(C)COC(c2ccccc2NC=N)=N1 ZINC001167868248 1166873506 /nfs/dbraw/zinc/87/35/06/1166873506.db2.gz ULCYWEUMWTUEOI-UHFFFAOYSA-N 0 1 217.272 2.261 20 0 BEADMN Cc1csc(CN2C[C@@H](CO)CC[C@H]2C)n1 ZINC000305208863 970710684 /nfs/dbraw/zinc/71/06/84/970710684.db2.gz GRWGNPUADIHMJU-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H](CF)NCc1cccc(Cl)c1N ZINC000877548217 1166962545 /nfs/dbraw/zinc/96/25/45/1166962545.db2.gz HOGFVAZMTPKTLB-ZETCQYMHSA-N 0 1 216.687 2.370 20 0 BEADMN CSc1ccc(F)cc1-n1cncc1N ZINC001215448434 970754169 /nfs/dbraw/zinc/75/41/69/970754169.db2.gz KBCMIHBJSOVAQR-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN Cc1nnc(-c2ccc(Cl)c(O)c2)o1 ZINC000307494889 1166973102 /nfs/dbraw/zinc/97/31/02/1166973102.db2.gz FIVPUSGXUQIDFY-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN CCCOC1CCC(n2ccnc2CN)CC1 ZINC001173086774 975023314 /nfs/dbraw/zinc/02/33/14/975023314.db2.gz GGGRHXVGFDKWGU-UHFFFAOYSA-N 0 1 237.347 2.252 20 0 BEADMN F[C@H]1CCCN([C@H]2CCc3ncsc3C2)C1 ZINC001173140103 975044964 /nfs/dbraw/zinc/04/49/64/975044964.db2.gz WNJFJJFWGWYRHG-UWVGGRQHSA-N 0 1 240.347 2.434 20 0 BEADMN CO[C@@H](C)CNc1ccc2c(n1)CCCC2 ZINC000712333573 1167035684 /nfs/dbraw/zinc/03/56/84/1167035684.db2.gz IBYOROBXHSURMA-JTQLQIEISA-N 0 1 220.316 2.407 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2c(c1)C[C@H](C)O2 ZINC000894611972 1167075882 /nfs/dbraw/zinc/07/58/82/1167075882.db2.gz BLKDHJNPFJJPCX-FZMZJTMJSA-N 0 1 247.338 2.231 20 0 BEADMN Cc1[nH]c(=O)nc(OC2CCCC2)c1Cl ZINC001227111577 975280620 /nfs/dbraw/zinc/28/06/20/975280620.db2.gz NVUMRXXJTGLIDO-UHFFFAOYSA-N 0 1 228.679 2.465 20 0 BEADMN CCN(C)Cc1cc(Br)co1 ZINC000306414391 1167101952 /nfs/dbraw/zinc/10/19/52/1167101952.db2.gz OCVQPPFHIAOFNR-UHFFFAOYSA-N 0 1 218.094 2.494 20 0 BEADMN c1cnc2[nH]nc(OCCOC3CCCC3)c2c1 ZINC001226302401 1167108964 /nfs/dbraw/zinc/10/89/64/1167108964.db2.gz KARDGFCEJBKMAR-UHFFFAOYSA-N 0 1 247.298 2.296 20 0 BEADMN Cn1cnc(C[N@H+]2CCC[C@@](C)(F)CC2)c1 ZINC001206199154 975367391 /nfs/dbraw/zinc/36/73/91/975367391.db2.gz PZWFZOPCMUADPM-GFCCVEGCSA-N 0 1 225.311 2.134 20 0 BEADMN Cn1cnc(CN2CCC[C@@](C)(F)CC2)c1 ZINC001206199154 975367400 /nfs/dbraw/zinc/36/74/00/975367400.db2.gz PZWFZOPCMUADPM-GFCCVEGCSA-N 0 1 225.311 2.134 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cccc(O)c1 ZINC000383962785 1167185104 /nfs/dbraw/zinc/18/51/04/1167185104.db2.gz PAKSVOYPIMEUFJ-UHFFFAOYSA-N 0 1 231.299 2.022 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CC[C@H](C)C1 ZINC001227598596 975568929 /nfs/dbraw/zinc/56/89/29/975568929.db2.gz KQHPPMPIQDHZSM-XPUUQOCRSA-N 0 1 225.317 2.036 20 0 BEADMN Cc1cc(CNc2cc(C)ccn2)n[nH]1 ZINC000309068645 1167246191 /nfs/dbraw/zinc/24/61/91/1167246191.db2.gz AOZDGXOTUFKLKP-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cc(CNc2cccc(Cl)n2)n[nH]1 ZINC000309060558 1167246428 /nfs/dbraw/zinc/24/64/28/1167246428.db2.gz WHEOFGUNDAQKMK-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN COc1ccc(N)c(NC2=CCCC2)n1 ZINC001173997898 976140431 /nfs/dbraw/zinc/14/04/31/976140431.db2.gz VHAFHELNKGSPHJ-UHFFFAOYSA-N 0 1 205.261 2.152 20 0 BEADMN CCCCC[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388112 976180933 /nfs/dbraw/zinc/18/09/33/976180933.db2.gz GCYYVNSVLJMBIS-QMMMGPOBSA-N 0 1 226.276 2.235 20 0 BEADMN CC(C)(C)CC[C@@H](CO)NCc1nccs1 ZINC000309374110 1167297779 /nfs/dbraw/zinc/29/77/79/1167297779.db2.gz QXGQZLVVUZGLFU-JTQLQIEISA-N 0 1 242.388 2.420 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)[nH]n1 ZINC001330816848 977111384 /nfs/dbraw/zinc/11/13/84/977111384.db2.gz DODJHNYLJPXWMG-JQWIXIFHSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(O)c1 ZINC001174887769 977119462 /nfs/dbraw/zinc/11/94/62/977119462.db2.gz DYPBRYCYWLYJJK-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CCCC[C@H](C)Oc1nc(C(=O)OC)c[nH]1 ZINC001230280405 977161008 /nfs/dbraw/zinc/16/10/08/977161008.db2.gz RVHKYPYWIWAELI-QMMMGPOBSA-N 0 1 226.276 2.154 20 0 BEADMN COC(=O)c1c[nH]c(OC2CCC(C)CC2)n1 ZINC001230279018 977161409 /nfs/dbraw/zinc/16/14/09/977161409.db2.gz BHNREBGGAWWNHW-UHFFFAOYSA-N 0 1 238.287 2.154 20 0 BEADMN COCc1ccc(Nc2cncn2C)cc1 ZINC001174919054 977164668 /nfs/dbraw/zinc/16/46/68/977164668.db2.gz XOYRGGWMWGQWTO-UHFFFAOYSA-N 0 1 217.272 2.310 20 0 BEADMN FC(F)(F)[C@H]1CC[C@@H](CN2CC=CCC2)O1 ZINC001335629596 977175857 /nfs/dbraw/zinc/17/58/57/977175857.db2.gz XVCCEFRYFFQGAN-VHSXEESVSA-N 0 1 235.249 2.358 20 0 BEADMN COc1cnc(N=CCC(C)(C)C)cn1 ZINC001175569487 977559020 /nfs/dbraw/zinc/55/90/20/977559020.db2.gz SUEJCEHCEYUCTG-AATRIKPKSA-N 0 1 207.277 2.457 20 0 BEADMN Cc1ncc(NC2=CCCN(C)C2)s1 ZINC001175577333 977590093 /nfs/dbraw/zinc/59/00/93/977590093.db2.gz RAPKVBHUPFFBKM-UHFFFAOYSA-N 0 1 209.318 2.083 20 0 BEADMN Cc1c(F)ccc(CN2C[C@H](O)C[C@H]2C)c1F ZINC001231475818 977595338 /nfs/dbraw/zinc/59/53/38/977595338.db2.gz LIPKFJOEXKVWJD-LDYMZIIASA-N 0 1 241.281 2.228 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001231461939 977595442 /nfs/dbraw/zinc/59/54/42/977595442.db2.gz AVNDWSVIHQRWMJ-SFYZADRCSA-N 0 1 243.303 2.379 20 0 BEADMN Cc1c(F)ccc(CN2C[C@@H](O)C[C@H]2C)c1F ZINC001231475817 977599560 /nfs/dbraw/zinc/59/95/60/977599560.db2.gz LIPKFJOEXKVWJD-KCJUWKMLSA-N 0 1 241.281 2.228 20 0 BEADMN Cc1noc([C@H](N[C@H]2CC[C@@H]2C)C(C)C)n1 ZINC000381285708 1167540202 /nfs/dbraw/zinc/54/02/02/1167540202.db2.gz ZNWLQDCFAALWKV-INTQDDNPSA-N 0 1 223.320 2.463 20 0 BEADMN C[C@]1(O)CCN(Cc2ccc(Cl)c(O)c2)C1 ZINC001231730753 977716849 /nfs/dbraw/zinc/71/68/49/977716849.db2.gz FUQJRXDDMGGEAN-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ncccc1Cl ZINC001231958018 977811358 /nfs/dbraw/zinc/81/13/58/977811358.db2.gz IKEAQUFXUPVXSU-UWVGGRQHSA-N 0 1 240.734 2.080 20 0 BEADMN FC1(F)C[C@@H]2CN(Cc3ccns3)C[C@@H]21 ZINC001232188581 977910797 /nfs/dbraw/zinc/91/07/97/977910797.db2.gz GFIMHEGOZZPNSH-APPZFPTMSA-N 0 1 230.283 2.230 20 0 BEADMN Cc1scnc1CN1CCC[C@H](O)[C@@H](C)C1 ZINC001232207471 977920169 /nfs/dbraw/zinc/92/01/69/977920169.db2.gz CHBUZFFOPBSVOA-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](C)[C@H]1CO ZINC001232204598 977926974 /nfs/dbraw/zinc/92/69/74/977926974.db2.gz SCTXLUODIVFYRT-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCC[C@@](C)(O)CC1 ZINC001232204679 977930262 /nfs/dbraw/zinc/93/02/62/977930262.db2.gz UHNLSNPNKOFHMC-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnsc2)CC1 ZINC001232230655 977965023 /nfs/dbraw/zinc/96/50/23/977965023.db2.gz RKBCAZYFIDVNAI-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN Oc1cncc(CN2CCC[C@@H](F)CC2)c1 ZINC001232039455 1167670470 /nfs/dbraw/zinc/67/04/70/1167670470.db2.gz SLRCSYQLGNUXMX-LLVKDONJSA-N 0 1 224.279 2.111 20 0 BEADMN CN(Cc1cnc(Cl)s1)C1CCOCC1 ZINC000086776532 1167679326 /nfs/dbraw/zinc/67/93/26/1167679326.db2.gz SUAHRNYNCJPAKC-UHFFFAOYSA-N 0 1 246.763 2.407 20 0 BEADMN C[C@H](CC1CCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000229757182 1167685368 /nfs/dbraw/zinc/68/53/68/1167685368.db2.gz IYSNQIGHCYGWQK-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN Fc1ccc2c(c1)CC[C@H](N1CCOCC1)C2 ZINC001168419897 1167690164 /nfs/dbraw/zinc/69/01/64/1167690164.db2.gz FOIXEHJJFKYRHZ-AWEZNQCLSA-N 0 1 235.302 2.015 20 0 BEADMN CC(C)N1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001483674348 1167698451 /nfs/dbraw/zinc/69/84/51/1167698451.db2.gz YLOLNLUUUGLIJP-GFCCVEGCSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CN2CC[C@@H](CO)C2)c(F)cc1F ZINC001232783460 978279874 /nfs/dbraw/zinc/27/98/74/978279874.db2.gz YDLHFVXIIFKALD-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN Cc1cc(C)c(CN2CCSCC2)cn1 ZINC001233004790 978392273 /nfs/dbraw/zinc/39/22/73/978392273.db2.gz HAXVIBVTDHZERF-UHFFFAOYSA-N 0 1 222.357 2.247 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)N1CC2(CC(O)C2)C1 ZINC001168475758 1167768153 /nfs/dbraw/zinc/76/81/53/1167768153.db2.gz PCXODZJEYZAAPN-NSHDSACASA-N 0 1 249.329 2.213 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCCOCC2)cc1 ZINC001233258707 978514964 /nfs/dbraw/zinc/51/49/64/978514964.db2.gz PPVMTFLMNDGILS-UHFFFAOYSA-N 0 1 223.341 2.198 20 0 BEADMN C[C@@]1(CO)CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258991 978515482 /nfs/dbraw/zinc/51/54/82/978515482.db2.gz CBWGIUIJJVVGOL-CYBMUJFWSA-N 0 1 237.368 2.180 20 0 BEADMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc([S-])cc1 ZINC001233259145 978517650 /nfs/dbraw/zinc/51/76/50/978517650.db2.gz IBEJEQGUNVUKPK-JQWIXIFHSA-N 0 1 237.368 2.321 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc([S-])cc2)CC[C@H]1O ZINC001233259623 978518394 /nfs/dbraw/zinc/51/83/94/978518394.db2.gz ZEGRCTMSDLKKAC-GXFFZTMASA-N 0 1 237.368 2.178 20 0 BEADMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233261926 978519650 /nfs/dbraw/zinc/51/96/50/978519650.db2.gz JUKSPQRSDLMCCD-CMPLNLGQSA-N 0 1 237.368 2.321 20 0 BEADMN Cc1cnsc1CN1CC[C@]2(CCCO2)C1 ZINC001233318389 978551075 /nfs/dbraw/zinc/55/10/75/978551075.db2.gz BGNWUXSTTHJZTJ-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cnsc1CN1CCC[C@]2(CCO2)C1 ZINC001233321218 978554746 /nfs/dbraw/zinc/55/47/46/978554746.db2.gz FLDMHUHQPJZNFH-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN CCO[C@@H]1CCCN(Cc2sncc2C)C1 ZINC001233320711 978557399 /nfs/dbraw/zinc/55/73/99/978557399.db2.gz KJLPXTUNNUNLQS-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CC1CC(N(C)Cc2cncc(Cl)n2)C1 ZINC001233447069 978608963 /nfs/dbraw/zinc/60/89/63/978608963.db2.gz SITYKVZMWHKCRI-UHFFFAOYSA-N 0 1 225.723 2.360 20 0 BEADMN C[C@H]1CC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233587674 978636001 /nfs/dbraw/zinc/63/60/01/978636001.db2.gz WTFKTPXTQBNZBU-NKWVEPMBSA-N 0 1 228.679 2.403 20 0 BEADMN CN1CCC[C@H](Oc2cc(Cl)ncc2F)C1 ZINC001233911065 978727077 /nfs/dbraw/zinc/72/70/77/978727077.db2.gz HDJMDPHUSPYCNG-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN Cn1cc(C[N@H+]2CCCC2(C)C)cc1C(=O)[O-] ZINC001600951548 978744520 /nfs/dbraw/zinc/74/45/20/978744520.db2.gz LNVDFRIZHOXPMV-UHFFFAOYSA-N 0 1 236.315 2.098 20 0 BEADMN COc1cc(CN(C)C(C)(C)C)c(F)cn1 ZINC001235317252 979021799 /nfs/dbraw/zinc/02/17/99/979021799.db2.gz RJBPCIWYGQQNHV-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN Cc1ccc(Nc2cncn2C)c(C)n1 ZINC001203369785 979462102 /nfs/dbraw/zinc/46/21/02/979462102.db2.gz CGBPGNABTVTBPU-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN Cc1cnc(CN(C)CC2CC(F)(F)C2)nc1 ZINC001237809220 1168252515 /nfs/dbraw/zinc/25/25/15/1168252515.db2.gz XREOAAFLVVEMFC-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001603766789 979518562 /nfs/dbraw/zinc/51/85/62/979518562.db2.gz JVLXTHCWXAYDPX-VHSXEESVSA-N 0 1 249.301 2.463 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCC2)C1 ZINC000083839844 1168281442 /nfs/dbraw/zinc/28/14/42/1168281442.db2.gz ZVBOFNHDSLUIMJ-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN CC1(C)C[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1(C)C ZINC001604545322 979674626 /nfs/dbraw/zinc/67/46/26/979674626.db2.gz YZRXILHUAINEIK-YUMQZZPRSA-N 0 1 247.285 2.073 20 0 BEADMN Cc1nc(C)c(CN2CCC[C@@H]3C[C@@H]32)o1 ZINC001236593930 979671464 /nfs/dbraw/zinc/67/14/64/979671464.db2.gz FAAAJWNEMIWUEM-MNOVXSKESA-N 0 1 206.289 2.276 20 0 BEADMN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1Cl ZINC001236852301 979756271 /nfs/dbraw/zinc/75/62/71/979756271.db2.gz UGXUOIAFQGEPSM-CMPLNLGQSA-N 0 1 239.746 2.461 20 0 BEADMN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cn1 ZINC000062080865 1168344580 /nfs/dbraw/zinc/34/45/80/1168344580.db2.gz CBJMWYMNRIETBW-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN CN(Cc1sc(=O)[nH]c1Cl)C1CC1 ZINC001237159601 979823568 /nfs/dbraw/zinc/82/35/68/979823568.db2.gz CYJPLUXMNWUMMM-UHFFFAOYSA-N 0 1 218.709 2.096 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2occc2[S-])[C@@H]1CO ZINC001237179055 979828035 /nfs/dbraw/zinc/82/80/35/979828035.db2.gz CARRLKPKEKZSJJ-NXEZZACHSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2occc2[S-])[C@@H]1CO ZINC001237179055 979828046 /nfs/dbraw/zinc/82/80/46/979828046.db2.gz CARRLKPKEKZSJJ-NXEZZACHSA-N 0 1 241.356 2.161 20 0 BEADMN CC[C@@H]1CCC[N@H+]1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605167013 979826037 /nfs/dbraw/zinc/82/60/37/979826037.db2.gz UXPHMZXTCWSUPX-MNOVXSKESA-N 0 1 239.315 2.008 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2occc2[S-])C[C@]1(C)O ZINC001237182632 979832028 /nfs/dbraw/zinc/83/20/28/979832028.db2.gz SMNXKAZXYXWVDW-SKDRFNHKSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2[S-])C[C@]1(C)O ZINC001237182632 979832031 /nfs/dbraw/zinc/83/20/31/979832031.db2.gz SMNXKAZXYXWVDW-SKDRFNHKSA-N 0 1 241.356 2.161 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1nc(C)co1 ZINC001237645134 979993681 /nfs/dbraw/zinc/99/36/81/979993681.db2.gz JLDOHBSVNKOGJX-LLVKDONJSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1coc(C[N@@H+](C)C[C@H]2CC2(C)C)n1 ZINC001237649675 980003615 /nfs/dbraw/zinc/00/36/15/980003615.db2.gz QJHKPNZNFWZYCG-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1coc(CN(C)C[C@H]2CC2(C)C)n1 ZINC001237649675 980003627 /nfs/dbraw/zinc/00/36/27/980003627.db2.gz QJHKPNZNFWZYCG-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CO[C@H](C)C1 ZINC001343077133 979998393 /nfs/dbraw/zinc/99/83/93/979998393.db2.gz KGSCJVQSPGQEES-NXEZZACHSA-N 0 1 239.290 2.101 20 0 BEADMN CCC(=O)NC1(C)CCN(C[C@H](F)CC)CC1 ZINC001671394074 1168397534 /nfs/dbraw/zinc/39/75/34/1168397534.db2.gz RYLVVAONNJZKNQ-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN CC1(C[NH2+]Cc2nc(C(F)(F)F)n[n-]2)CCC1 ZINC001184448806 980075264 /nfs/dbraw/zinc/07/52/64/980075264.db2.gz CKQQEBJMJHHHEX-UHFFFAOYSA-N 0 1 248.252 2.103 20 0 BEADMN Cc1nnc(S[C@@H](C)c2cnc(C)cn2)[nH]1 ZINC001343744029 980230998 /nfs/dbraw/zinc/23/09/98/980230998.db2.gz UYZSTCHEGRCBIO-ZETCQYMHSA-N 0 1 235.316 2.065 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)c2cnc(C)cn2)n1 ZINC001343744029 980231006 /nfs/dbraw/zinc/23/10/06/980231006.db2.gz UYZSTCHEGRCBIO-ZETCQYMHSA-N 0 1 235.316 2.065 20 0 BEADMN CC(C)[C@@H](C)Sc1nccnc1CN ZINC000232840376 1168461055 /nfs/dbraw/zinc/46/10/55/1168461055.db2.gz PFFBCZQKGSFKSD-MRVPVSSYSA-N 0 1 211.334 2.072 20 0 BEADMN Cc1cc(-c2cc3c(nn2)CNC3)ccc1F ZINC001241278626 1168464369 /nfs/dbraw/zinc/46/43/69/1168464369.db2.gz QGFDORLYCWUPBG-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCCC[C@@H](CC)COC(=O)N1CCNCC1 ZINC001239327103 980534853 /nfs/dbraw/zinc/53/48/53/980534853.db2.gz OZLBKWMURLXNCC-GFCCVEGCSA-N 0 1 242.363 2.245 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@]1(C)C[C@]1(F)Cl ZINC001346268897 980803419 /nfs/dbraw/zinc/80/34/19/980803419.db2.gz GXVUCZHTCHTBGK-VHSXEESVSA-N 0 1 246.669 2.190 20 0 BEADMN COCn1cc(-c2cncc3cc[nH]c32)cn1 ZINC001245221031 1168593443 /nfs/dbraw/zinc/59/34/43/1168593443.db2.gz PTYCAMOKXZADIR-UHFFFAOYSA-N 0 1 228.255 2.030 20 0 BEADMN Cn1ncc(CN2CCC3(CCC3)C2)c1Cl ZINC000816513172 1168604184 /nfs/dbraw/zinc/60/41/84/1168604184.db2.gz IQWGLAXKDYZKNF-UHFFFAOYSA-N 0 1 239.750 2.450 20 0 BEADMN Oc1c(F)cc(-c2ncc(F)cn2)cc1F ZINC001250477101 981170884 /nfs/dbraw/zinc/17/08/84/981170884.db2.gz JXABLAOYCRPSLL-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1nc(CN2[C@@H](C)CC[C@H]2CO)sc1C ZINC001144359919 1168650183 /nfs/dbraw/zinc/65/01/83/1168650183.db2.gz SUOPZYUCJLDBDV-KWQFWETISA-N 0 1 240.372 2.105 20 0 BEADMN Cc1nc(CN2CCCC[C@@H](O)C2)sc1C ZINC001144359709 1168650270 /nfs/dbraw/zinc/65/02/70/1168650270.db2.gz KYFFFOLDGPWWHN-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1ccc(CN2CC(C)(C)C2(C)C)nn1 ZINC001348492916 981372690 /nfs/dbraw/zinc/37/26/90/981372690.db2.gz MPEQDRNRYFOJNB-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN CCCCOC(=O)N1CCN(CC(C)C)CC1 ZINC001193676987 981406618 /nfs/dbraw/zinc/40/66/18/981406618.db2.gz BMBLPVUPWLIGIW-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)NCc1ncccn1 ZINC001172313920 1168679562 /nfs/dbraw/zinc/67/95/62/1168679562.db2.gz DHCTVJDYSZBUNL-NEPJUHHUSA-N 0 1 237.347 2.160 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccn1C1CC1 ZINC001349522846 981570995 /nfs/dbraw/zinc/57/09/95/981570995.db2.gz NZBMJTZJIZXZDO-GFCCVEGCSA-N 0 1 236.315 2.118 20 0 BEADMN Brc1cccc(Nc2ncc[nH]2)n1 ZINC001176080196 1168702364 /nfs/dbraw/zinc/70/23/64/1168702364.db2.gz RANDRTJHCSFWKM-UHFFFAOYSA-N 0 1 239.076 2.311 20 0 BEADMN C[C@@H]1CN(C(=O)OCC(C)(C)C)C[C@H](C)N1C ZINC001194377631 981754771 /nfs/dbraw/zinc/75/47/71/981754771.db2.gz XIEBWARGAYMJQT-PHIMTYICSA-N 0 1 242.363 2.194 20 0 BEADMN Cc1nocc1NC(=O)c1nc(Cl)cs1 ZINC001585126863 981910846 /nfs/dbraw/zinc/91/08/46/981910846.db2.gz NWBVKZTWTMQJAL-UHFFFAOYSA-N 0 1 243.675 2.345 20 0 BEADMN CN1CC=C(c2ccnc(C3CC3)n2)CC1 ZINC001241311202 982455048 /nfs/dbraw/zinc/45/50/48/982455048.db2.gz RGYXNJNPRUFAQB-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CCc1cc(C)nc(C2=CCN(C)CC2)n1 ZINC001241317724 982473982 /nfs/dbraw/zinc/47/39/82/982473982.db2.gz UIKWSGWJSWGFBY-UHFFFAOYSA-N 0 1 217.316 2.066 20 0 BEADMN CC(C)[C@H]1CCC[C@H]1NCc1csnn1 ZINC001352879716 982622586 /nfs/dbraw/zinc/62/25/86/982622586.db2.gz ZHEKEOIWXBWOGX-GHMZBOCLSA-N 0 1 225.361 2.452 20 0 BEADMN COc1cccc(CSc2nnc(C)[nH]2)c1 ZINC000039539965 1168880551 /nfs/dbraw/zinc/88/05/51/1168880551.db2.gz AJXUSQUUGVGJDM-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN COc1cccc(CSc2nc(C)n[nH]2)c1 ZINC000039539965 1168880565 /nfs/dbraw/zinc/88/05/65/1168880565.db2.gz AJXUSQUUGVGJDM-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN C[C@H](CNC(=O)CN(C)C1CCC1)C(C)(C)C ZINC000863877032 1168890818 /nfs/dbraw/zinc/89/08/18/1168890818.db2.gz PYEJAZVTRGFBFQ-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN c1cc(CN2CCC[C@H]2Cc2ccccn2)n[nH]1 ZINC001137129832 1168929479 /nfs/dbraw/zinc/92/94/79/1168929479.db2.gz HCSPEBHCPYJOAP-AWEZNQCLSA-N 0 1 242.326 2.012 20 0 BEADMN Clc1ccc(CN2CC(C3COC3)C2)cc1 ZINC001203919577 982869993 /nfs/dbraw/zinc/86/99/93/982869993.db2.gz ZNTDLPFVZOOTOT-UHFFFAOYSA-N 0 1 237.730 2.418 20 0 BEADMN C[C@@H](NC(=O)c1cccc(F)c1O)C1(C)CC1 ZINC001353888128 983051996 /nfs/dbraw/zinc/05/19/96/983051996.db2.gz LYILSFYUYPFPLL-MRVPVSSYSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cc(CNC(=O)NC2CCC=CCC2)n[nH]1 ZINC000884164577 1168961284 /nfs/dbraw/zinc/96/12/84/1168961284.db2.gz KSWNWRDIOAZQRK-UHFFFAOYSA-N 0 1 248.330 2.016 20 0 BEADMN CCC1(CNC(=O)CCc2cc(C)[nH]n2)CCC1 ZINC001137213740 1168974552 /nfs/dbraw/zinc/97/45/52/1168974552.db2.gz QENHFAOMDIPMSA-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCC[C@@H](C)CN1CCN(C(C)(C)C)C(=O)C1 ZINC001201552366 983304572 /nfs/dbraw/zinc/30/45/72/983304572.db2.gz LOZHIULBYOBPKI-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1[nH+]ccn1CCC1(C(=O)[O-])CCC1 ZINC001593654013 983328384 /nfs/dbraw/zinc/32/83/84/983328384.db2.gz JBTZVRCSKBZLLF-UHFFFAOYSA-N 0 1 222.288 2.091 20 0 BEADMN CCCCCCN1C[C@H](F)[C@@H](OC)C1 ZINC001201743667 983452467 /nfs/dbraw/zinc/45/24/67/983452467.db2.gz XWDPTHQYYMKKMQ-QWRGUYRKSA-N 0 1 203.301 2.235 20 0 BEADMN FC(F)(F)CCN1CC2(C1)CCCOC2 ZINC001202308319 983619519 /nfs/dbraw/zinc/61/95/19/983619519.db2.gz ZTIVECPWARPDQE-UHFFFAOYSA-N 0 1 223.238 2.051 20 0 BEADMN CC[N@@H+](C/C(C)=C\C(=O)[O-])Cc1occc1C ZINC001596230040 983623446 /nfs/dbraw/zinc/62/34/46/983623446.db2.gz QKQDTBRGCVJOOK-YFHOEESVSA-N 0 1 237.299 2.441 20 0 BEADMN CCCC[C@@H](O)CNCc1ncc(F)cc1F ZINC001252109290 983684091 /nfs/dbraw/zinc/68/40/91/983684091.db2.gz BNFDPIZJUWERSV-SNVBAGLBSA-N 0 1 244.285 2.001 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccs1 ZINC000042163747 1169113940 /nfs/dbraw/zinc/11/39/40/1169113940.db2.gz RNXJGUPFUXEVBS-VIFPVBQESA-N 0 1 225.313 2.187 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)CC(C)C ZINC001596357560 983828190 /nfs/dbraw/zinc/82/81/90/983828190.db2.gz IPGVXSUZWVHOCA-UHFFFAOYSA-N 0 1 224.304 2.191 20 0 BEADMN Cc1c(CN(C)C2CC2)nc2ccccn12 ZINC001137266954 1169237756 /nfs/dbraw/zinc/23/77/56/1169237756.db2.gz GTQCLXLZYNEHGJ-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN COc1ccnc(N[C@H]2CCO[C@H](C)C2)c1 ZINC000381570174 1169239597 /nfs/dbraw/zinc/23/95/97/1169239597.db2.gz WUYFRRIWARSUFK-ZJUUUORDSA-N 0 1 222.288 2.070 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000309163685 950665143 /nfs/dbraw/zinc/66/51/43/950665143.db2.gz PXIHWWMNXAMQMU-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000308909059 950658224 /nfs/dbraw/zinc/65/82/24/950658224.db2.gz FVTPWSUSJUCVQT-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cnc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])s1 ZINC000394702660 951453874 /nfs/dbraw/zinc/45/38/74/951453874.db2.gz GPQYUWWEUFGHLZ-VIFPVBQESA-N 0 1 242.344 2.040 20 0 BEADMN CCOC(=O)/C=C/C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000394895862 1169258380 /nfs/dbraw/zinc/25/83/80/1169258380.db2.gz CHJKODJGGDMOGU-FYJFLYSWSA-N 0 1 248.326 2.194 20 0 BEADMN CCOC(=O)/C=C/CN(C)[C@@H](C)c1ccncc1 ZINC000394895862 1169258386 /nfs/dbraw/zinc/25/83/86/1169258386.db2.gz CHJKODJGGDMOGU-FYJFLYSWSA-N 0 1 248.326 2.194 20 0 BEADMN CCOCC[C@@H](C)NCc1ncc(Cl)cn1 ZINC001172412904 974678280 /nfs/dbraw/zinc/67/82/80/974678280.db2.gz XATNNAOLFBPRSM-SECBINFHSA-N 0 1 243.738 2.035 20 0 BEADMN COC1(C)CN([C@H](C)CCOCC(C)C)C1 ZINC001172469572 974767411 /nfs/dbraw/zinc/76/74/11/974767411.db2.gz UKVQJBBRVHYBOM-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)COCC[C@@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172473385 974770425 /nfs/dbraw/zinc/77/04/25/974770425.db2.gz LYFLYGNPVOCCRM-CHWSQXEVSA-N 0 1 241.375 2.349 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)C[C@@H]1C ZINC001172443605 974805200 /nfs/dbraw/zinc/80/52/00/974805200.db2.gz OHDGZBIAYBUEFL-RYUDHWBXSA-N 0 1 227.348 2.243 20 0 BEADMN CCN(C)Cc1cncn1Cc1ccccc1 ZINC001138560803 1169358290 /nfs/dbraw/zinc/35/82/90/1169358290.db2.gz OOUSAUJYWMPDTI-UHFFFAOYSA-N 0 1 229.327 2.383 20 0 BEADMN CCOc1ccc(SCc2nnc[nH]2)cc1 ZINC001328023912 972852425 /nfs/dbraw/zinc/85/24/25/972852425.db2.gz YRGUACOACMBCPK-UHFFFAOYSA-N 0 1 235.312 2.496 20 0 BEADMN Cn1ccnc1Nc1c(Cl)cccc1CO ZINC001159107271 1169435987 /nfs/dbraw/zinc/43/59/87/1169435987.db2.gz NUSQTVBTUUJPEX-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN Cc1ncn(C)c1Nc1cc(C)cc(O)c1 ZINC001215511818 970773690 /nfs/dbraw/zinc/77/36/90/970773690.db2.gz SWAPPGRICYRDAX-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN Fc1cc(Nc2cnns2)cc2[nH]ncc21 ZINC001215553964 970786833 /nfs/dbraw/zinc/78/68/33/970786833.db2.gz PYDUOFAIYMLFJM-UHFFFAOYSA-N 0 1 235.247 2.297 20 0 BEADMN Cc1coc(CN[C@@H](C)Cc2ccccn2)n1 ZINC001256395427 970803080 /nfs/dbraw/zinc/80/30/80/970803080.db2.gz JVKKRXWPOHIXNH-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCCC(=O)[C@H](C)C1 ZINC001256409366 970816506 /nfs/dbraw/zinc/81/65/06/970816506.db2.gz COAJOVSACFGSDO-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCOC(C)(C)C1 ZINC001256409528 970816823 /nfs/dbraw/zinc/81/68/23/970816823.db2.gz LPKYCRGABKHCKQ-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCOCC1(C)C ZINC001256416447 970822838 /nfs/dbraw/zinc/82/28/38/970822838.db2.gz BSZJELGPLCINFC-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCCCC12COC2 ZINC001256417367 970822932 /nfs/dbraw/zinc/82/29/32/970822932.db2.gz ISLRBKQFFNGABT-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCOCC12CCC2 ZINC001256423148 970830314 /nfs/dbraw/zinc/83/03/14/970830314.db2.gz ZKJHIAXELWNVGB-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCOC[C@H]1C1CC1 ZINC001256427627 970832755 /nfs/dbraw/zinc/83/27/55/970832755.db2.gz XNZSSONYLOYWQJ-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN Cc1ccc(-c2nnc(C3CN(C)C3)o2)cc1C ZINC001256525754 970857187 /nfs/dbraw/zinc/85/71/87/970857187.db2.gz QEMBNIXMNGMOJB-UHFFFAOYSA-N 0 1 243.310 2.382 20 0 BEADMN Fc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1 ZINC001203913376 1169470116 /nfs/dbraw/zinc/47/01/16/1169470116.db2.gz XTWXINZHGAKVAW-CHWSQXEVSA-N 0 1 221.275 2.189 20 0 BEADMN CSc1cccc(-n2cncc2N)c1F ZINC001215867750 970865009 /nfs/dbraw/zinc/86/50/09/970865009.db2.gz NJRVLUUGLUCKNL-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1ncnc2c1CCNC2 ZINC001157879393 970866104 /nfs/dbraw/zinc/86/61/04/970866104.db2.gz GKMWVDIHWCZAOJ-GHMZBOCLSA-N 0 1 248.374 2.359 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc([C@H]2CCc3[nH]cnc3C2)o1 ZINC001256657243 970904682 /nfs/dbraw/zinc/90/46/82/970904682.db2.gz KNNPNQBODYGWFF-HRDYMLBCSA-N 0 1 244.298 2.189 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403365213 970922190 /nfs/dbraw/zinc/92/21/90/970922190.db2.gz YTXACDYSZDVYEN-VIFPVBQESA-N 0 1 238.114 2.102 20 0 BEADMN Cc1coc(CN[C@@H](C)Cc2ccncc2)n1 ZINC001256716123 970934131 /nfs/dbraw/zinc/93/41/31/970934131.db2.gz LTZLBOOGKIZQCL-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN Cc1ncn(-c2cc(C)c(O)c(Cl)c2)c1N ZINC001216087088 970934724 /nfs/dbraw/zinc/93/47/24/970934724.db2.gz NSGSMAGQRSWPLH-UHFFFAOYSA-N 0 1 237.690 2.430 20 0 BEADMN Cc1cc(Nc2cncn2C)cc(C)c1CO ZINC001216119702 970947497 /nfs/dbraw/zinc/94/74/97/970947497.db2.gz ZBGFLDBUHRDHDE-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN O[C@@H]1CC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]12 ZINC000403508894 970955480 /nfs/dbraw/zinc/95/54/80/970955480.db2.gz BMJQZSSWIYONGK-HRDYMLBCSA-N 0 1 236.142 2.008 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCCC(=O)[C@@H](C)C1 ZINC001256736356 970962322 /nfs/dbraw/zinc/96/23/22/970962322.db2.gz OOOUQADOMIDZQN-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCC(=O)C(C)(C)C1 ZINC001256745527 970976945 /nfs/dbraw/zinc/97/69/45/970976945.db2.gz MPVFJLFRKMTMJJ-GFCCVEGCSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCC(=O)C(C)(C)C1 ZINC001256745528 970981033 /nfs/dbraw/zinc/98/10/33/970981033.db2.gz MPVFJLFRKMTMJJ-LBPRGKRZSA-N 0 1 246.354 2.314 20 0 BEADMN CN(C)Cc1cccc(Nc2ccnnc2)c1F ZINC001216227469 970993852 /nfs/dbraw/zinc/99/38/52/970993852.db2.gz IYMOZAGBKQUDHK-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN CCC1CCC(n2c(C)nnc2CN)CC1 ZINC001256870473 971008851 /nfs/dbraw/zinc/00/88/51/971008851.db2.gz DJFVAXZQQGEDLP-UHFFFAOYSA-N 0 1 222.336 2.187 20 0 BEADMN Cc1nnc(Nc2cnc(Cl)cc2C)o1 ZINC001216277243 971017514 /nfs/dbraw/zinc/01/75/14/971017514.db2.gz WQUVUMDILMJHDY-UHFFFAOYSA-N 0 1 224.651 2.478 20 0 BEADMN Cc1ncn(-c2c(Cl)ccnc2Cl)c1N ZINC001216301268 971024718 /nfs/dbraw/zinc/02/47/18/971024718.db2.gz LJSFMEWVYHOLJF-UHFFFAOYSA-N 0 1 243.097 2.465 20 0 BEADMN c1nc(N2CCCCC2)ncc1C1=CNCCC1 ZINC001243949238 971031303 /nfs/dbraw/zinc/03/13/03/971031303.db2.gz BFRCOJBTUSVCQC-UHFFFAOYSA-N 0 1 244.342 2.191 20 0 BEADMN COc1nccc(C)c1C1=CNCCC1 ZINC001243951705 971044955 /nfs/dbraw/zinc/04/49/55/971044955.db2.gz ZKQHEPCMUJJZFG-UHFFFAOYSA-N 0 1 204.273 2.123 20 0 BEADMN Cc1cnc(NC2COC(C)(C)OC2)c(C)c1 ZINC001158063484 971049731 /nfs/dbraw/zinc/04/97/31/971049731.db2.gz NDBDPXQFJJAZGF-UHFFFAOYSA-N 0 1 236.315 2.262 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)(C)C)[C@H](C)CO1 ZINC000403778235 971061536 /nfs/dbraw/zinc/06/15/36/971061536.db2.gz UNMUZANBFNJNBL-NEPJUHHUSA-N 0 1 241.375 2.491 20 0 BEADMN Nc1cncn1-c1cc(F)c(F)cc1Cl ZINC001216369318 971065915 /nfs/dbraw/zinc/06/59/15/971065915.db2.gz BOXJGSQGNVCNIU-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN CCOc1cc(C)c(C)cc1-n1cncc1N ZINC001216377263 971071722 /nfs/dbraw/zinc/07/17/22/971071722.db2.gz KZCNNQKDIWSDOW-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN Oc1ccc(Cl)cc1Nc1nnco1 ZINC001216396462 971073105 /nfs/dbraw/zinc/07/31/05/971073105.db2.gz IXNFLDUPEWGTET-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN Nc1cncn1-c1cc(F)ccc1Cl ZINC001216478491 971091727 /nfs/dbraw/zinc/09/17/27/971091727.db2.gz SYHXNEBOKGGRPV-UHFFFAOYSA-N 0 1 211.627 2.247 20 0 BEADMN CC(=O)c1cccc(Nc2nonc2C)c1F ZINC001216497534 971097559 /nfs/dbraw/zinc/09/75/59/971097559.db2.gz OGZRAHDYAZOGFA-UHFFFAOYSA-N 0 1 235.218 2.463 20 0 BEADMN C[C@@H]1C[C@@H](N2CCn3cccc3C2)C[C@H](C)O1 ZINC001257097870 971109988 /nfs/dbraw/zinc/10/99/88/971109988.db2.gz QDLHIJGZTJGROD-DABQJJPHSA-N 0 1 234.343 2.260 20 0 BEADMN c1cc(Nc2cncc(OCC3CC3)c2)ccn1 ZINC001216596153 971133899 /nfs/dbraw/zinc/13/38/99/971133899.db2.gz UJACKEUORIBILY-UHFFFAOYSA-N 0 1 241.294 2.431 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000404317702 971151695 /nfs/dbraw/zinc/15/16/95/971151695.db2.gz JHLWXSBEYNOSET-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN Cc1cc(CNC/C=C\Cl)sn1 ZINC000404321536 971150043 /nfs/dbraw/zinc/15/00/43/971150043.db2.gz JNJPZNIBWDVCAP-IHWYPQMZSA-N 0 1 202.710 2.294 20 0 BEADMN CC1CC(CNC(=O)c2cccc(F)c2O)C1 ZINC001131379062 971169275 /nfs/dbraw/zinc/16/92/75/971169275.db2.gz DHQLFVCKCZDMTK-UHFFFAOYSA-N 0 1 237.274 2.307 20 0 BEADMN CCC[C@@H](CC)N1CCn2nccc2C1 ZINC001257269865 971171238 /nfs/dbraw/zinc/17/12/38/971171238.db2.gz MICKCWVSJGGNRL-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN Oc1ccc(CN2CCC(C(F)F)CC2)nc1 ZINC000307884131 971180248 /nfs/dbraw/zinc/18/02/48/971180248.db2.gz YQROKXKHWJPWLT-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN CCC[C@H](C)NC1(c2ncccn2)CC1 ZINC001257312475 971207250 /nfs/dbraw/zinc/20/72/50/971207250.db2.gz XJSNBWXJLCZJJT-JTQLQIEISA-N 0 1 205.305 2.244 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@H](C)[C@H]2C)s1 ZINC000405543108 971270879 /nfs/dbraw/zinc/27/08/79/971270879.db2.gz JGOHGOPAJHJUDE-FXPVBKGRSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001257368894 971289211 /nfs/dbraw/zinc/28/92/11/971289211.db2.gz LWZIDWXCZXUWKQ-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCCC[C@H](C)N1CCN(C#N)CC1 ZINC001257371569 971289395 /nfs/dbraw/zinc/28/93/95/971289395.db2.gz ISHAAFGZPHJHBN-ZDUSSCGKSA-N 0 1 223.364 2.444 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCC1CC1)C1CC1 ZINC000405992376 971325052 /nfs/dbraw/zinc/32/50/52/971325052.db2.gz VPDQWAVUQBZWJH-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN CCCC[C@H](CC)N(CC)CC(=O)OC ZINC001257426509 971326984 /nfs/dbraw/zinc/32/69/84/971326984.db2.gz OHVPGFVULZIPHT-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693524 971329721 /nfs/dbraw/zinc/32/97/21/971329721.db2.gz WMMWZPXPVMTYTM-HRDYMLBCSA-N 0 1 233.271 2.029 20 0 BEADMN CCCC[C@@H](CC)N(CC)CC(=O)OC ZINC001257426508 971330324 /nfs/dbraw/zinc/33/03/24/971330324.db2.gz OHVPGFVULZIPHT-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN c1cc(-c2nnc([C@@H]3CCN3)o2)cc2c1CCC2 ZINC001217694558 971330515 /nfs/dbraw/zinc/33/05/15/971330515.db2.gz HBELPUFFJRSZGD-LBPRGKRZSA-N 0 1 241.294 2.260 20 0 BEADMN CCCc1nnc([C@@H]2NCCC[C@H]2C)o1 ZINC001217702484 971346047 /nfs/dbraw/zinc/34/60/47/971346047.db2.gz KTPWEDQSYRMOGL-PSASIEDQSA-N 0 1 209.293 2.083 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702323 971346861 /nfs/dbraw/zinc/34/68/61/971346861.db2.gz JHESHBKRWWWBIR-XFWSIPNHSA-N 0 1 221.304 2.254 20 0 BEADMN c1ccc([C@@H]2C[C@H]2c2nnc([C@H]3CCN3)o2)cc1 ZINC001217719203 971359297 /nfs/dbraw/zinc/35/92/97/971359297.db2.gz XLJIRKRVNXRNSL-QJPTWQEYSA-N 0 1 241.294 2.375 20 0 BEADMN Cc1ccc(-c2nnc([C@H]3CCN3)o2)cc1C ZINC001217719080 971360079 /nfs/dbraw/zinc/36/00/79/971360079.db2.gz VGQFPTUJXMKLOH-LLVKDONJSA-N 0 1 229.283 2.388 20 0 BEADMN Cc1ccccc1Cc1nnc([C@H]2CCN2)o1 ZINC001217719074 971360761 /nfs/dbraw/zinc/36/07/61/971360761.db2.gz VBQVNYSPCQIGOU-LLVKDONJSA-N 0 1 229.283 2.003 20 0 BEADMN CC[C@H](C)N1CCc2cnc(SC)nc2C1 ZINC001257447299 971361149 /nfs/dbraw/zinc/36/11/49/971361149.db2.gz ZAZTWIKNJHBEPK-VIFPVBQESA-N 0 1 237.372 2.355 20 0 BEADMN CCOCc1ncn2c1CN([C@@H](C)CC)CC2 ZINC001257446172 971363101 /nfs/dbraw/zinc/36/31/01/971363101.db2.gz YGJDZTCCONAVOJ-NSHDSACASA-N 0 1 237.347 2.034 20 0 BEADMN CCN(CCC(C)(C)C1CC1)CC(=O)OC ZINC000406109236 971385285 /nfs/dbraw/zinc/38/52/85/971385285.db2.gz MCEFTXIXTGTJFK-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CCCCC[C@H](C)N1CCNC(=O)C1(C)C ZINC001257510958 971432248 /nfs/dbraw/zinc/43/22/48/971432248.db2.gz BIBYGVZSMIVYSG-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CCCCC[C@@H](C)N1CC2(C1)CS(=O)C2 ZINC001257512693 971434115 /nfs/dbraw/zinc/43/41/15/971434115.db2.gz ORZBHZFUDPHJLW-LLVKDONJSA-N 0 1 229.389 2.020 20 0 BEADMN CCCCC[C@@H](C)N1CCN(CC)C(=O)C1 ZINC001257516461 971438429 /nfs/dbraw/zinc/43/84/29/971438429.db2.gz KMZIZSGQGWWNTQ-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCCCC[C@H](C)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001257516938 971439672 /nfs/dbraw/zinc/43/96/72/971439672.db2.gz ORISQGFUFDYKQP-NWDGAFQWSA-N 0 1 247.404 2.074 20 0 BEADMN CCCCC[C@H](C)N1CC(N(C)C(C)=O)C1 ZINC001257517308 971443051 /nfs/dbraw/zinc/44/30/51/971443051.db2.gz UJKWKGWHAKMVRU-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN CCCCC[C@@H](C)N1CCOC[C@H]1COC ZINC001257520424 971444933 /nfs/dbraw/zinc/44/49/33/971444933.db2.gz SUXQJKHNAISISP-CHWSQXEVSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000328431616 971473472 /nfs/dbraw/zinc/47/34/72/971473472.db2.gz VSAJVHCUKCASOS-SSDOTTSWSA-N 0 1 240.328 2.072 20 0 BEADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)[O-] ZINC000082657929 949020690 /nfs/dbraw/zinc/02/06/90/949020690.db2.gz JEGNUPBXAXMUNP-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCCSC)C1 ZINC000083412976 949032413 /nfs/dbraw/zinc/03/24/13/949032413.db2.gz RJEDQWVKAZTHPH-GFCCVEGCSA-N 0 1 245.388 2.316 20 0 BEADMN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1ccsc1 ZINC000086137373 949054646 /nfs/dbraw/zinc/05/46/46/949054646.db2.gz YHYDYVRPEWRCMT-UHFFFAOYSA-N 0 1 227.329 2.433 20 0 BEADMN C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000087393000 949070701 /nfs/dbraw/zinc/07/07/01/949070701.db2.gz IOJPDLYTLFCXLB-ZETCQYMHSA-N 0 1 242.344 2.003 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cccnc2)C1 ZINC001204075107 974211086 /nfs/dbraw/zinc/21/10/86/974211086.db2.gz AUHJYRUBCZDVHX-CYBMUJFWSA-N 0 1 220.316 2.083 20 0 BEADMN C[C@H](Cc1ccsc1)[N@@H+](C)CCCC(=O)[O-] ZINC000177047477 949484711 /nfs/dbraw/zinc/48/47/11/949484711.db2.gz PCDQLECLFZOLSR-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)c1nccs1 ZINC000233898262 949806532 /nfs/dbraw/zinc/80/65/32/949806532.db2.gz MIJIJGHJVLSYNV-RKDXNWHRSA-N 0 1 240.328 2.047 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3ncco3)C[C@@H]21 ZINC001170713840 971628002 /nfs/dbraw/zinc/62/80/02/971628002.db2.gz RLDNOJQIQHOWBD-ILWJIGKKSA-N 0 1 206.289 2.199 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2CCC(F)(F)CC2)c1 ZINC000258396385 950038915 /nfs/dbraw/zinc/03/89/15/950038915.db2.gz ZIBXOCQQAHRJCR-UHFFFAOYSA-N 0 1 242.225 2.015 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3ncco3)C[C@@H]21 ZINC001170713841 971629092 /nfs/dbraw/zinc/62/90/92/971629092.db2.gz RLDNOJQIQHOWBD-OWUUHHOZSA-N 0 1 206.289 2.199 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3ncccn3)C[C@@H]21 ZINC001170713828 971629276 /nfs/dbraw/zinc/62/92/76/971629276.db2.gz RDXVINVWDMRKBS-JGPRNRPPSA-N 0 1 217.316 2.001 20 0 BEADMN CC[C@H]1CCCC[C@@H]1Oc1n[nH]c2c1CNCC2 ZINC001218214707 971633924 /nfs/dbraw/zinc/63/39/24/971633924.db2.gz QRPNYYBXFJUHMQ-GWCFXTLKSA-N 0 1 249.358 2.403 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N[C@H]3CCSC3=O)C[C@@H]21 ZINC001170721738 971645770 /nfs/dbraw/zinc/64/57/70/971645770.db2.gz YSUFDEGMNXKBIF-QEYWKRMJSA-N 0 1 225.357 2.043 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2(C)CCC2)[C@@H]1C(=O)[O-] ZINC000309781023 950690708 /nfs/dbraw/zinc/69/07/08/950690708.db2.gz RDEUTMLNIPYFQQ-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@@H+](CCCC(=O)[O-])C1 ZINC000312694828 950766363 /nfs/dbraw/zinc/76/63/63/950766363.db2.gz XKZNCFIPLSBCHB-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC(CCC)Oc1n[nH]c2c1CNCC2 ZINC001218293304 971694341 /nfs/dbraw/zinc/69/43/41/971694341.db2.gz HIWAZTRPFLWQQF-UHFFFAOYSA-N 0 1 237.347 2.403 20 0 BEADMN CC(C)[C@@H]1CC[C@H]1NCc1csnn1 ZINC001330651840 974383973 /nfs/dbraw/zinc/38/39/73/974383973.db2.gz JMLDBELKSBFHPQ-VHSXEESVSA-N 0 1 211.334 2.062 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N3CCC(=O)CC3)C[C@@H]21 ZINC001170746113 971708771 /nfs/dbraw/zinc/70/87/71/971708771.db2.gz KXQIMFCXHGQKRP-YHPBZONMSA-N 0 1 207.317 2.086 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1F ZINC000384454481 951268497 /nfs/dbraw/zinc/26/84/97/951268497.db2.gz ATSOUCBCTGNGJI-LLVKDONJSA-N 0 1 237.274 2.041 20 0 BEADMN CN1CC(CNc2c(Cl)ccnc2Cl)C1 ZINC001159217889 971739781 /nfs/dbraw/zinc/73/97/81/971739781.db2.gz HROCMTKAVGKZTH-UHFFFAOYSA-N 0 1 246.141 2.362 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000390390974 951376253 /nfs/dbraw/zinc/37/62/53/951376253.db2.gz JIJLETQLUBMKGI-LLVKDONJSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CC(F)(F)C2)C1 ZINC000398760024 951606293 /nfs/dbraw/zinc/60/62/93/951606293.db2.gz BKRJNKZZYWFYDN-SCZZXKLOSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1=CCCC1)C1CC1 ZINC000401099642 951658038 /nfs/dbraw/zinc/65/80/38/951658038.db2.gz FRYNSXFZPMJOJM-SECBINFHSA-N 0 1 209.289 2.034 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H](C)c2ccco2)n1 ZINC001229438275 1169659389 /nfs/dbraw/zinc/65/93/89/1169659389.db2.gz GSYOJBCCQDSYRL-SSDOTTSWSA-N 0 1 244.254 2.394 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2CC[C@H](C)C2)n1 ZINC001229438207 1169659983 /nfs/dbraw/zinc/65/99/83/1169659983.db2.gz DOVPWJGKBKJZAY-IONNQARKSA-N 0 1 232.287 2.229 20 0 BEADMN Cc1nc(CN2C[C@@H](C)CC23CC3)co1 ZINC001206081895 971794137 /nfs/dbraw/zinc/79/41/37/971794137.db2.gz ULPJESSQTDPUGC-VIFPVBQESA-N 0 1 206.289 2.357 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@@]1(C)CCCS1 ZINC000382116144 971799339 /nfs/dbraw/zinc/79/93/39/971799339.db2.gz FPUNDQMIUSOQRT-CKYFFXLPSA-N 0 1 243.372 2.067 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000382291612 971807403 /nfs/dbraw/zinc/80/74/03/971807403.db2.gz PZTOZFVEZVQRHH-UHFFFAOYSA-N 0 1 236.315 2.400 20 0 BEADMN Cc1cc(CNCc2sc(C)nc2C)[nH]n1 ZINC000309842052 971857673 /nfs/dbraw/zinc/85/76/73/971857673.db2.gz DTKAJQVBZTWLCH-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1cc(CNCc2sc(C)nc2C)n[nH]1 ZINC000309842052 971857675 /nfs/dbraw/zinc/85/76/75/971857675.db2.gz DTKAJQVBZTWLCH-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN CC1(C)C[C@H](N2CC[C@](C)(F)[C@@H](F)C2)CO1 ZINC001172283987 974548106 /nfs/dbraw/zinc/54/81/06/974548106.db2.gz NZHGRJTYEWIOQV-NHCYSSNCSA-N 0 1 233.302 2.326 20 0 BEADMN COc1ccnc(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000309884726 971875981 /nfs/dbraw/zinc/87/59/81/971875981.db2.gz XMOFFYVBEBDIQD-ONGXEEELSA-N 0 1 222.288 2.070 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)Cc1oncc1C(=O)[O-] ZINC000383835134 971898230 /nfs/dbraw/zinc/89/82/30/971898230.db2.gz YJPWLWHDNCFRCG-SECBINFHSA-N 0 1 240.303 2.383 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cccc(F)c2)[nH]1 ZINC001135507997 971898500 /nfs/dbraw/zinc/89/85/00/971898500.db2.gz PXHQPEYGQYTLKD-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000217929107 971907604 /nfs/dbraw/zinc/90/76/04/971907604.db2.gz WHKXOFMZDUIABG-VXGBXAGGSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CC2(C1)CCCO2 ZINC001172329517 974594675 /nfs/dbraw/zinc/59/46/75/974594675.db2.gz HPZRBGGTEVLKIL-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CC2(C1)CCCO2 ZINC001172329519 974596775 /nfs/dbraw/zinc/59/67/75/974596775.db2.gz HPZRBGGTEVLKIL-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1COCC[C@@H]1Nc1ccnc2c1ccn2C ZINC001170833132 971945539 /nfs/dbraw/zinc/94/55/39/971945539.db2.gz VPLAELZHZWPJJZ-JQWIXIFHSA-N 0 1 245.326 2.410 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@H]1CCCOCC1 ZINC001170831160 971951144 /nfs/dbraw/zinc/95/11/44/971951144.db2.gz NHCLDKPOUQQKHI-STQMWFEESA-N 0 1 234.343 2.434 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC001204049723 971959216 /nfs/dbraw/zinc/95/92/16/971959216.db2.gz JGEFSAMQXGINJH-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1C[C@H](F)[C@@H](OC)C1 ZINC001172339556 974602235 /nfs/dbraw/zinc/60/22/35/974602235.db2.gz OYDNUMJWVVUMGW-NDBYEHHHSA-N 0 1 247.354 2.249 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001172338577 974602385 /nfs/dbraw/zinc/60/23/85/974602385.db2.gz BXSPNLIVCXRVPC-CYDGBPFRSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1C[C@H](F)[C@@H](OC)C1 ZINC001172339550 974604084 /nfs/dbraw/zinc/60/40/84/974604084.db2.gz OYDNUMJWVVUMGW-CYDGBPFRSA-N 0 1 247.354 2.249 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCOC[C@H]1C ZINC001172340851 974606374 /nfs/dbraw/zinc/60/63/74/974606374.db2.gz RKWFAGAESSLDPQ-UPJWGTAASA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc(F)c2ccccc12 ZINC001170864811 971993533 /nfs/dbraw/zinc/99/35/33/971993533.db2.gz IREPNMQRBKELLQ-AWEZNQCLSA-N 0 1 248.301 2.448 20 0 BEADMN CC[C@@](N)(CO)Nc1cc(F)c2ccccc2c1 ZINC001170865971 971999264 /nfs/dbraw/zinc/99/92/64/971999264.db2.gz LZFCTZYKVBLXLB-AWEZNQCLSA-N 0 1 248.301 2.448 20 0 BEADMN CC[C@@](N)(CO)Nc1ccccc1C(C)C ZINC001170863875 971999365 /nfs/dbraw/zinc/99/93/65/971999365.db2.gz GKCINMHFXFSFRL-ZDUSSCGKSA-N 0 1 222.332 2.279 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N(C)[C@H](C)C(=O)OC ZINC001172342885 974612393 /nfs/dbraw/zinc/61/23/93/974612393.db2.gz OOVVFSBNNQCHGT-GRYCIOLGSA-N 0 1 245.363 2.073 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N(C)[C@@H](C)C(=O)OC ZINC001172342888 974611750 /nfs/dbraw/zinc/61/17/50/974611750.db2.gz OOVVFSBNNQCHGT-SRVKXCTJSA-N 0 1 245.363 2.073 20 0 BEADMN CCC=CNc1nc(C)ncc1C(=O)OCC ZINC001159668462 972013489 /nfs/dbraw/zinc/01/34/89/972013489.db2.gz ULKRTLWYWSGLDS-VOTSOKGWSA-N 0 1 235.287 2.297 20 0 BEADMN CN(Cc1ccc[nH]1)Cc1ccc2c(c1)OCO2 ZINC000190585467 972037015 /nfs/dbraw/zinc/03/70/15/972037015.db2.gz HJASYJQKWRAIJG-UHFFFAOYSA-N 0 1 244.294 2.375 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC3CCC2CC3)n1 ZINC000386493147 972058603 /nfs/dbraw/zinc/05/86/03/972058603.db2.gz KCEXWWHHHKFLDI-UHFFFAOYSA-N 0 1 246.310 2.154 20 0 BEADMN CC[C@](N)(CO)Nc1nc2ccccc2cc1C ZINC001159743444 972095355 /nfs/dbraw/zinc/09/53/55/972095355.db2.gz FWJAHPMUWOMFID-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN C[C@@H](O)Cn1[nH]c(CC2CCCCC2)cc1=O ZINC001245939214 972104672 /nfs/dbraw/zinc/10/46/72/972104672.db2.gz FONCHZXNUKIQAY-SNVBAGLBSA-N 0 1 238.331 2.092 20 0 BEADMN C=C/C=C\CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001136345185 972131648 /nfs/dbraw/zinc/13/16/48/972131648.db2.gz MDUOFFRUPDAVKC-SREVYHEPSA-N 0 1 236.359 2.061 20 0 BEADMN O=C(CCCCCO)Nc1ccc2nc[nH]c2c1 ZINC001136430323 972165997 /nfs/dbraw/zinc/16/59/97/972165997.db2.gz LQYJNOKBUYPELP-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN NC1=CN([C@@H]2CCc3cccc(F)c3C2)CC=C1 ZINC001170971039 972187552 /nfs/dbraw/zinc/18/75/52/972187552.db2.gz MXDVPPADGYKAGQ-CYBMUJFWSA-N 0 1 244.313 2.355 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1cccc2[nH]ccc21 ZINC001136565000 972203774 /nfs/dbraw/zinc/20/37/74/972203774.db2.gz BUWBVIJSCATWNK-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN CCCN1CCN(c2ccc(F)cc2F)CC1 ZINC000098188481 956869996 /nfs/dbraw/zinc/86/99/96/956869996.db2.gz IWTKCYRCKBOMEK-UHFFFAOYSA-N 0 1 240.297 2.497 20 0 BEADMN Nc1cccnc1-c1cc(F)c(O)cc1F ZINC001206756191 956884179 /nfs/dbraw/zinc/88/41/79/956884179.db2.gz WQBRGVQYUHUJKO-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CN([C@H]1CCc2cccc(F)c2C1)C1(C)COC1 ZINC001171000858 972224121 /nfs/dbraw/zinc/22/41/21/972224121.db2.gz MBNNYPWERBFLBI-LBPRGKRZSA-N 0 1 249.329 2.404 20 0 BEADMN C[C@H]1c2cccn2CCN1CCCn1cccn1 ZINC001208078468 956929022 /nfs/dbraw/zinc/92/90/22/956929022.db2.gz MXYRVCJSORSOIS-ZDUSSCGKSA-N 0 1 244.342 2.152 20 0 BEADMN C[C@]1(F)CCN(CCCn2cccn2)C[C@@H]1F ZINC001208080172 956930725 /nfs/dbraw/zinc/93/07/25/956930725.db2.gz AWYWZDUGDZSBII-RYUDHWBXSA-N 0 1 243.301 2.045 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCC(C)=C[C@H]1C ZINC001208162094 957045573 /nfs/dbraw/zinc/04/55/73/957045573.db2.gz PCOPPULYLZLEOM-CHWSQXEVSA-N 0 1 239.359 2.474 20 0 BEADMN Cc1cc(C)nc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001167076240 957113557 /nfs/dbraw/zinc/11/35/57/957113557.db2.gz XQAUPKIVJLXWEJ-LVEBTZEWSA-N 0 1 244.338 2.312 20 0 BEADMN Cc1ccc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)nc1C ZINC001167076281 957113581 /nfs/dbraw/zinc/11/35/81/957113581.db2.gz OOXZBIRVFRZMEC-LVEBTZEWSA-N 0 1 244.338 2.312 20 0 BEADMN Cc1cccc(CN2CCN(C)[C@H](C)C2)c1F ZINC001137677358 957144834 /nfs/dbraw/zinc/14/48/34/957144834.db2.gz NYKFBMHNGHQSLV-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN CN1CCC(=Nc2snc3cccnc32)CC1 ZINC001208802529 957174433 /nfs/dbraw/zinc/17/44/33/957174433.db2.gz NAFDIFGHSJLMGH-UHFFFAOYSA-N 0 1 246.339 2.323 20 0 BEADMN C[C@@H]1CC(CN2CCC(=O)C[C@@H]2C)C[C@@H](C)O1 ZINC000724481257 957193304 /nfs/dbraw/zinc/19/33/04/957193304.db2.gz TVJIQDKSLYMUTC-QJPTWQEYSA-N 0 1 239.359 2.243 20 0 BEADMN CCC(=O)C(C)(C)CN1CCCC[C@H]1C(C)=O ZINC001208920362 957241569 /nfs/dbraw/zinc/24/15/69/957241569.db2.gz CCMDDLQYTDFFIL-LBPRGKRZSA-N 0 1 239.359 2.435 20 0 BEADMN Clc1ncc(CN2C[C@@H]3CCC[C@@H]3C2)cn1 ZINC001139986655 957298672 /nfs/dbraw/zinc/29/86/72/957298672.db2.gz BRSTVJSHIUQFJJ-PHIMTYICSA-N 0 1 237.734 2.362 20 0 BEADMN Clc1ncc(CN2C[C@H]3CCC[C@@H]3C2)cn1 ZINC001139986654 957301578 /nfs/dbraw/zinc/30/15/78/957301578.db2.gz BRSTVJSHIUQFJJ-GHMZBOCLSA-N 0 1 237.734 2.362 20 0 BEADMN O=C1CCCN(CCc2cccs2)CC1 ZINC001209222858 957365779 /nfs/dbraw/zinc/36/57/79/957365779.db2.gz PCSZUUPPIJETKM-UHFFFAOYSA-N 0 1 223.341 2.346 20 0 BEADMN CN(CCc1ccc(F)c(F)c1)C1(C)COC1 ZINC001209243258 957372977 /nfs/dbraw/zinc/37/29/77/957372977.db2.gz DQEHGTKIRPNROP-UHFFFAOYSA-N 0 1 241.281 2.228 20 0 BEADMN CSc1ncc2c(n1)CN(C[C@@H]1C[C@H]1C)CC2 ZINC001209433544 957467645 /nfs/dbraw/zinc/46/76/45/957467645.db2.gz UXNOPEBQZUXMCH-KOLCDFICSA-N 0 1 249.383 2.213 20 0 BEADMN CCOc1ccnc(N(CC)CC(C)(C)O)c1 ZINC001167160337 957502897 /nfs/dbraw/zinc/50/28/97/957502897.db2.gz QXWMLHFDHFVVAY-UHFFFAOYSA-N 0 1 238.331 2.078 20 0 BEADMN Cn1ccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841353 957542431 /nfs/dbraw/zinc/54/24/31/957542431.db2.gz KDUJOOKREFTUMD-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1cnc(Nc2cnc(N)cc2C)o1 ZINC001209960779 957585104 /nfs/dbraw/zinc/58/51/04/957585104.db2.gz ALVJAMOPLXSFSW-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN CCc1nccnc1Nc1cnc(N)cc1C ZINC001209964945 957586230 /nfs/dbraw/zinc/58/62/30/957586230.db2.gz IWPXEKDXLCWAMN-UHFFFAOYSA-N 0 1 229.287 2.068 20 0 BEADMN CC(=O)c1ncccc1Nc1cnc(N)cc1C ZINC001209968416 957589178 /nfs/dbraw/zinc/58/91/78/957589178.db2.gz ZGNWIGDABHANSK-UHFFFAOYSA-N 0 1 242.282 2.313 20 0 BEADMN Cc1ccc(C)c(NCc2cncnc2)n1 ZINC001167256632 957594175 /nfs/dbraw/zinc/59/41/75/957594175.db2.gz UGHQARLCFTWHEV-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN c1ncc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)[nH]1 ZINC001136866498 972280045 /nfs/dbraw/zinc/28/00/45/972280045.db2.gz XOKIPPYIBRAIDR-GHMZBOCLSA-N 0 1 205.305 2.032 20 0 BEADMN Cc1[nH+]ccn1Cc1cc(C(=O)[O-])ccc1F ZINC000062757456 957610256 /nfs/dbraw/zinc/61/02/56/957610256.db2.gz PSOWICKYCUDZFV-UHFFFAOYSA-N 0 1 234.230 2.077 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ccn[nH]c1=O ZINC001210102061 957638160 /nfs/dbraw/zinc/63/81/60/957638160.db2.gz KQEMECFGSWQHLV-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccccn1 ZINC000071380373 957721034 /nfs/dbraw/zinc/72/10/34/957721034.db2.gz FYDWFFGVMGVUBP-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN Clc1ccc2c(n1)CCN(Cc1cnc[nH]1)C2 ZINC001136871569 972288132 /nfs/dbraw/zinc/28/81/32/972288132.db2.gz URXFWPQKFHHZKU-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CN(CCC(=O)c1cccs1)Cc1cnc[nH]1 ZINC001136871837 972289125 /nfs/dbraw/zinc/28/91/25/972289125.db2.gz MDHSWHCKPXNUQX-UHFFFAOYSA-N 0 1 249.339 2.176 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000080992805 957776034 /nfs/dbraw/zinc/77/60/34/957776034.db2.gz OCVRWAGDCHITBM-OTQAPUNGSA-N 0 1 217.696 2.068 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cncc(F)c3)C[C@H]12 ZINC001207026286 957782899 /nfs/dbraw/zinc/78/28/99/957782899.db2.gz HYORNVGXRNXAHO-AAEUAGOBSA-N 0 1 248.301 2.022 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)Cc1ccoc1C ZINC000082604558 957797223 /nfs/dbraw/zinc/79/72/23/957797223.db2.gz OLCQQCPWOVFOPS-RMKNXTFCSA-N 0 1 223.272 2.051 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cn2ccccc2n1 ZINC001136879716 972293074 /nfs/dbraw/zinc/29/30/74/972293074.db2.gz PWGRTBBVRGXSRI-WCFLWFBJSA-N 0 1 245.301 2.267 20 0 BEADMN CCCC1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000083403423 957822053 /nfs/dbraw/zinc/82/20/53/957822053.db2.gz GEDVQINPXXEGFT-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CSCCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000083417293 957824481 /nfs/dbraw/zinc/82/44/81/957824481.db2.gz LESIVYWPGODFEW-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccsc1 ZINC001136947300 972300040 /nfs/dbraw/zinc/30/00/40/972300040.db2.gz BLVUROQPAHLJNR-UHFFFAOYSA-N 0 1 207.258 2.032 20 0 BEADMN CCCCC(=O)N1CCN(CCC(C)C)CC1 ZINC000046089450 957878031 /nfs/dbraw/zinc/87/80/31/957878031.db2.gz UQPGGHAPWSJTLN-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CC=C(C)Nc1cccnc1N1CCN(C)CC1 ZINC001210792306 957885352 /nfs/dbraw/zinc/88/53/52/957885352.db2.gz LBOJBUOSPLGYBN-UUILKARUSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)oc1C ZINC001204534877 957962397 /nfs/dbraw/zinc/96/23/97/957962397.db2.gz NBNMDHNOTVPFNT-NSHDSACASA-N 0 1 209.289 2.117 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000086775110 957987851 /nfs/dbraw/zinc/98/78/51/957987851.db2.gz NHHBGWDZRFWZIJ-UHFFFAOYSA-N 0 1 247.216 2.010 20 0 BEADMN O=C([O-])c1cc[nH+]c(NC[C@@H]2CCCS2)c1 ZINC000087669371 958029036 /nfs/dbraw/zinc/02/90/36/958029036.db2.gz VOAFHLOWJJQSJR-VIFPVBQESA-N 0 1 238.312 2.087 20 0 BEADMN Cc1occc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001211238775 958091479 /nfs/dbraw/zinc/09/14/79/958091479.db2.gz ARKLZXANNZQSIQ-UHFFFAOYSA-N 0 1 225.635 2.481 20 0 BEADMN Cc1nc2ccccn2c1Nc1cncn1C ZINC001211246495 958109599 /nfs/dbraw/zinc/10/95/99/958109599.db2.gz CACIAVBLFBRCLQ-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Cn1cncc1Nc1cc(F)cnc1Cl ZINC001211246823 958109712 /nfs/dbraw/zinc/10/97/12/958109712.db2.gz TZGSRHCBFCLNBN-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN Cn1cncc1Nc1ccnc(OC(F)F)c1 ZINC001211247124 958112052 /nfs/dbraw/zinc/11/20/52/958112052.db2.gz JLMHBTGBVITAFQ-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cc1cnn(C2CCC2)c1Nc1cncn1C ZINC001211248308 958116001 /nfs/dbraw/zinc/11/60/01/958116001.db2.gz LAAJKKLWVPDYRQ-UHFFFAOYSA-N 0 1 231.303 2.394 20 0 BEADMN CCc1ccc(Nc2cncn2C)c(O)c1 ZINC001211250064 958116226 /nfs/dbraw/zinc/11/62/26/958116226.db2.gz GVEMEECNQJMJDI-UHFFFAOYSA-N 0 1 217.272 2.432 20 0 BEADMN CN(Cc1ncc(C(F)(F)F)[nH]1)C1CC1 ZINC001137010641 972325719 /nfs/dbraw/zinc/32/57/19/972325719.db2.gz YWOPYBGJJHTLNX-UHFFFAOYSA-N 0 1 219.210 2.023 20 0 BEADMN COc1cnccc1Nc1cccs1 ZINC001211257800 958125597 /nfs/dbraw/zinc/12/55/97/958125597.db2.gz SPTXVPNONGKESU-UHFFFAOYSA-N 0 1 206.270 2.317 20 0 BEADMN Cc1cccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])n1 ZINC000092431109 958164634 /nfs/dbraw/zinc/16/46/34/958164634.db2.gz KDFKWRULFGEJSY-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137011669 972327361 /nfs/dbraw/zinc/32/73/61/972327361.db2.gz BHCPBSMIZFLXTQ-ZCFIWIBFSA-N 0 1 219.210 2.023 20 0 BEADMN c1[nH]nnc1CNCc1ccc2ccccc2c1 ZINC000398350347 958227772 /nfs/dbraw/zinc/22/77/72/958227772.db2.gz ZFASGAZCXGIBRX-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN FC1(F)CCCC[C@@H]1NC1CCOCC1 ZINC000398423501 958252725 /nfs/dbraw/zinc/25/27/25/958252725.db2.gz QYZGWXHYEYYBCC-JTQLQIEISA-N 0 1 219.275 2.333 20 0 BEADMN c1ccc2c(c1)CCCN(Cc1ccncn1)C2 ZINC001140347727 958264705 /nfs/dbraw/zinc/26/47/05/958264705.db2.gz SDEHFWMVJHEDKI-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN F[C@H]1CN(Cc2ccc3[nH]cnc3c2)C[C@@H]2C[C@@H]21 ZINC001137042670 972340789 /nfs/dbraw/zinc/34/07/89/972340789.db2.gz OXPPTFKHUVBCBS-SRVKXCTJSA-N 0 1 245.301 2.353 20 0 BEADMN F[C@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H]2C[C@@H]21 ZINC001137042670 972340791 /nfs/dbraw/zinc/34/07/91/972340791.db2.gz OXPPTFKHUVBCBS-SRVKXCTJSA-N 0 1 245.301 2.353 20 0 BEADMN COc1c(C)cc(C)cc1-n1cnc(C)c1N ZINC001215996023 958412158 /nfs/dbraw/zinc/41/21/58/958412158.db2.gz CELQYGLCIKKRQS-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN Cc1nc(C)c(CNCC2SCCS2)o1 ZINC000723666143 958440332 /nfs/dbraw/zinc/44/03/32/958440332.db2.gz WXKRIDKNMNQUHF-UHFFFAOYSA-N 0 1 244.385 2.187 20 0 BEADMN Cc1cnc(CN(C)C)cc1Br ZINC001143647602 972347732 /nfs/dbraw/zinc/34/77/32/972347732.db2.gz LRZMMCOPLRVUHO-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1CCC1 ZINC000123647923 958507507 /nfs/dbraw/zinc/50/75/07/958507507.db2.gz MCBCJADTUAERSD-MRVPVSSYSA-N 0 1 220.272 2.380 20 0 BEADMN Cc1c[nH]c(CN[C@H](C)COc2ccccc2)n1 ZINC000693498495 958579106 /nfs/dbraw/zinc/57/91/06/958579106.db2.gz FUSGQHHYWXDYAB-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001140502750 958678390 /nfs/dbraw/zinc/67/83/90/958678390.db2.gz CKSOQNZZXWXLFZ-XYYAHUGASA-N 0 1 249.285 2.032 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000132546223 958788107 /nfs/dbraw/zinc/78/81/07/958788107.db2.gz GNCCDJMPPQTXMS-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN O[C@@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000403750077 958847967 /nfs/dbraw/zinc/84/79/67/958847967.db2.gz OUMDOMBGTLDWNI-MRVPVSSYSA-N 0 1 224.131 2.152 20 0 BEADMN Cc1ccnc(CN[C@@H]2CC[C@@H](C)C2)n1 ZINC000707943774 958860137 /nfs/dbraw/zinc/86/01/37/958860137.db2.gz AAUQBQYXDSPKRO-MWLCHTKSSA-N 0 1 205.305 2.063 20 0 BEADMN COc1cc(C)c(C)cc1-n1cnc(C)c1N ZINC001216373148 958867690 /nfs/dbraw/zinc/86/76/90/958867690.db2.gz GWBRVJFBIQKUEV-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN CCCN(CC(=O)OC(C)C)CC1CC1 ZINC000049800113 958967917 /nfs/dbraw/zinc/96/79/17/958967917.db2.gz WKXNNFYVOUOVAY-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CC(C)(F)F)n[nH]1 ZINC001327110378 972413757 /nfs/dbraw/zinc/41/37/57/972413757.db2.gz RJXYRRDXEQELFE-LURJTMIESA-N 0 1 247.245 2.017 20 0 BEADMN CCCC[C@H](CC)CC(=O)OCc1nnc[nH]1 ZINC001327116899 972417208 /nfs/dbraw/zinc/41/72/08/972417208.db2.gz UPYCKISNVTTWET-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CCCc1ccc(C(=O)OCc2nnc[nH]2)cc1 ZINC001327115347 972418580 /nfs/dbraw/zinc/41/85/80/972418580.db2.gz IQFKKOWDFXHXTF-UHFFFAOYSA-N 0 1 245.282 2.114 20 0 BEADMN CC[N@@H+]([C@@H]1C=CCCC1)C(C)(C)C(=O)[O-] ZINC000167801600 959360306 /nfs/dbraw/zinc/36/03/06/959360306.db2.gz PJGDEABROAIKKD-SNVBAGLBSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@@H]2NCCC[C@@H]2C)o1 ZINC001217701346 959555558 /nfs/dbraw/zinc/55/55/58/959555558.db2.gz DGXWQYMLKYBZBR-QCLAVDOMSA-N 0 1 221.304 2.254 20 0 BEADMN Cn1ncc(CN[C@@H]2CSC2(C)C)c1Cl ZINC000382298538 959593721 /nfs/dbraw/zinc/59/37/21/959593721.db2.gz MSNPWIRXUGQWIM-MRVPVSSYSA-N 0 1 245.779 2.057 20 0 BEADMN C[C@@H]1CC[C@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000309172283 959697485 /nfs/dbraw/zinc/69/74/85/959697485.db2.gz AUOBOJWNAXAUND-PHDIDXHHSA-N 0 1 237.694 2.217 20 0 BEADMN C[C@@H](NCc1cnn(C)c1C1CC1)c1ccc[nH]1 ZINC001352010231 959780782 /nfs/dbraw/zinc/78/07/82/959780782.db2.gz AATDRSGVVGPTSD-SNVBAGLBSA-N 0 1 244.342 2.476 20 0 BEADMN CN(Cc1c(F)ccc(N)c1F)CC1CC1 ZINC000309205209 959795401 /nfs/dbraw/zinc/79/54/01/959795401.db2.gz AZSAKTKBYZPDSJ-UHFFFAOYSA-N 0 1 226.270 2.389 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000224482107 959848736 /nfs/dbraw/zinc/84/87/36/959848736.db2.gz CHNRUCXFGNPJOT-AHVQJPNGSA-N 0 1 211.305 2.138 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC000226409860 959877012 /nfs/dbraw/zinc/87/70/12/959877012.db2.gz MBEAXQPXXWESDH-NOZJJQNGSA-N 0 1 249.285 2.220 20 0 BEADMN C[N@@H+](CCCF)CCc1ccccc1C(=O)[O-] ZINC000228513904 960019356 /nfs/dbraw/zinc/01/93/56/960019356.db2.gz XHBMSGVANLAYQJ-UHFFFAOYSA-N 0 1 239.290 2.219 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])CC1CCC1 ZINC000230322907 960142831 /nfs/dbraw/zinc/14/28/31/960142831.db2.gz PCINVZQIBKEIEK-YFHOEESVSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@@]1(F)CCCN(Cc2ncco2)CC1 ZINC001141004298 960182940 /nfs/dbraw/zinc/18/29/40/960182940.db2.gz APFKSRUNGJRULP-LLVKDONJSA-N 0 1 212.268 2.389 20 0 BEADMN O=C(OCc1nnc[nH]1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001327194729 972489496 /nfs/dbraw/zinc/48/94/96/972489496.db2.gz QIPZLJLXKPWTSZ-IAZYJMLFSA-N 0 1 249.314 2.064 20 0 BEADMN CCCC(CCC)NCc1nnc(C)o1 ZINC000393622210 960263731 /nfs/dbraw/zinc/26/37/31/960263731.db2.gz UJZMTHKOSKVOQX-UHFFFAOYSA-N 0 1 211.309 2.436 20 0 BEADMN COC(=O)CN(C)CC1CCC2(CC2)CC1 ZINC000695574850 960290558 /nfs/dbraw/zinc/29/05/58/960290558.db2.gz IZMSGEQNBXSMRM-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000695574095 960291778 /nfs/dbraw/zinc/29/17/78/960291778.db2.gz HYBLFLRXGYHSNK-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN CO[C@H]1CCC[C@H]1C(=O)NOCc1ccccc1 ZINC001353379288 960293842 /nfs/dbraw/zinc/29/38/42/960293842.db2.gz YBCWSZPGHUWCTP-OLZOCXBDSA-N 0 1 249.310 2.050 20 0 BEADMN CCc1nc(NC(=O)C(C)=CC(C)(C)C)n[nH]1 ZINC000184657480 960335077 /nfs/dbraw/zinc/33/50/77/960335077.db2.gz MRCRUMGCIYYVHT-BQYQJAHWSA-N 0 1 236.319 2.298 20 0 BEADMN CCc1n[nH]c(NC(=O)/C(C)=C/C(C)(C)C)n1 ZINC000184657480 960335090 /nfs/dbraw/zinc/33/50/90/960335090.db2.gz MRCRUMGCIYYVHT-BQYQJAHWSA-N 0 1 236.319 2.298 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000234060089 960338410 /nfs/dbraw/zinc/33/84/10/960338410.db2.gz LZPVDSQSHBAJII-NSHDSACASA-N 0 1 234.299 2.154 20 0 BEADMN C[C@H]1CCCN1Cn1cccnc1=S ZINC000173519653 960350197 /nfs/dbraw/zinc/35/01/97/960350197.db2.gz MUJVFTNVTDSOHG-VIFPVBQESA-N 0 1 209.318 2.054 20 0 BEADMN Cc1nnsc1CN[C@@H](C)C1(Cl)CC1 ZINC000695687540 960372126 /nfs/dbraw/zinc/37/21/26/960372126.db2.gz YUCSAUUEMCSDPM-ZETCQYMHSA-N 0 1 231.752 2.096 20 0 BEADMN OCCN(Cc1cc[nH]c1)Cc1cccs1 ZINC001140706663 960511124 /nfs/dbraw/zinc/51/11/24/960511124.db2.gz YGLCPTGWQNSCRU-UHFFFAOYSA-N 0 1 236.340 2.071 20 0 BEADMN FC(F)(F)[C@@H]1CCN(Cc2cc[nH]c2)C1 ZINC001140707514 960524071 /nfs/dbraw/zinc/52/40/71/960524071.db2.gz PIKCOHBBDJXXDH-SECBINFHSA-N 0 1 218.222 2.399 20 0 BEADMN CC[C@@H](C)NC(=S)Nc1ncc(F)cc1O ZINC001200474255 960532529 /nfs/dbraw/zinc/53/25/29/960532529.db2.gz JEOBSCWBOOJPMC-ZCFIWIBFSA-N 0 1 243.307 2.011 20 0 BEADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)n[nH]1 ZINC001203070361 960619860 /nfs/dbraw/zinc/61/98/60/960619860.db2.gz QHWHZMTZSFRLQA-CHWSQXEVSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(CN(C)Cc2cccs2)n[nH]1 ZINC001203075294 960666587 /nfs/dbraw/zinc/66/65/87/960666587.db2.gz CMGZVTHVFZAZLE-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN c1[nH]nnc1CNCc1csc2ccccc12 ZINC000398423687 960676202 /nfs/dbraw/zinc/67/62/02/960676202.db2.gz ZQCJEJXIKHOSLK-UHFFFAOYSA-N 0 1 244.323 2.309 20 0 BEADMN Cc1cc(CN2CCC[C@H](C(F)F)C2)n[nH]1 ZINC001203077438 960689731 /nfs/dbraw/zinc/68/97/31/960689731.db2.gz YGHSWPHTQCPBSQ-VIFPVBQESA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)C2)n[nH]1 ZINC001203077059 960690390 /nfs/dbraw/zinc/69/03/90/960690390.db2.gz QCQIKOCTKUJPAU-MRVPVSSYSA-N 0 1 233.237 2.102 20 0 BEADMN C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001140943916 960734754 /nfs/dbraw/zinc/73/47/54/960734754.db2.gz IDUCKMNGIRWAQP-IUCAKERBSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001140943916 960734769 /nfs/dbraw/zinc/73/47/69/960734769.db2.gz IDUCKMNGIRWAQP-IUCAKERBSA-N 0 1 241.262 2.158 20 0 BEADMN Cc1cc(CN2CCn3cccc3[C@@H]2C)n[nH]1 ZINC001203082436 960771116 /nfs/dbraw/zinc/77/11/16/960771116.db2.gz RBQYPLBHFJSVGP-NSHDSACASA-N 0 1 230.315 2.096 20 0 BEADMN CCCN(Cc1ncco1)C1CCOCC1 ZINC001141010541 960813963 /nfs/dbraw/zinc/81/39/63/960813963.db2.gz WWXDZZNUEQVEDR-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN Cc1ccncc1CN1CCc2ccncc2C1 ZINC001141035349 960825137 /nfs/dbraw/zinc/82/51/37/960825137.db2.gz YUGPSMJWRNGCOZ-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cc1ncoc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001141051445 960839711 /nfs/dbraw/zinc/83/97/11/960839711.db2.gz AMWNFCYWBMZCEV-BDAKNGLRSA-N 0 1 228.242 2.070 20 0 BEADMN CCCCc1ncc(CN2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC001141067908 960858132 /nfs/dbraw/zinc/85/81/32/960858132.db2.gz QYRSXZPAGWLMCH-BETUJISGSA-N 0 1 249.358 2.116 20 0 BEADMN CCCCc1ncc(CN2CC(C)(F)C2)[nH]1 ZINC001141067912 960859895 /nfs/dbraw/zinc/85/98/95/960859895.db2.gz RJEYXMRSJRLOFW-UHFFFAOYSA-N 0 1 225.311 2.296 20 0 BEADMN CCCCc1ncc(CN2CC[C@@H](F)C2)[nH]1 ZINC001141067393 960863121 /nfs/dbraw/zinc/86/31/21/960863121.db2.gz AMUAZNIYVBTCJH-SNVBAGLBSA-N 0 1 225.311 2.296 20 0 BEADMN c1nc(CN2CCC[C@@H]2Cc2ccccn2)co1 ZINC001141129930 960876690 /nfs/dbraw/zinc/87/66/90/960876690.db2.gz WYZNEARDXCJCOF-CQSZACIVSA-N 0 1 243.310 2.277 20 0 BEADMN c1nc(CN2CC[C@H]3CCC[C@H]3C2)co1 ZINC001141126845 960878320 /nfs/dbraw/zinc/87/83/20/960878320.db2.gz XEUVQJBQRMHEPT-MNOVXSKESA-N 0 1 206.289 2.297 20 0 BEADMN CCN(Cc1cn[nH]c1)Cc1cccc(OC)c1 ZINC001203097178 960884853 /nfs/dbraw/zinc/88/48/53/960884853.db2.gz ZTULOYXNJMRKCA-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN CC(C)N(CCCCCO)Cc1cocn1 ZINC001141133115 960885038 /nfs/dbraw/zinc/88/50/38/960885038.db2.gz YZUAOMQRNPAIGX-UHFFFAOYSA-N 0 1 226.320 2.048 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(F)c1 ZINC001141191700 960920412 /nfs/dbraw/zinc/92/04/12/960920412.db2.gz RMXPREZSSRBGCR-RISCZKNCSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C)[C@@H](O)C2)c(F)c1 ZINC001141191700 960920443 /nfs/dbraw/zinc/92/04/43/960920443.db2.gz RMXPREZSSRBGCR-RISCZKNCSA-N 0 1 237.318 2.337 20 0 BEADMN COC(=O)CCN(C)Cc1ccc(C)cc1F ZINC001141195431 960925147 /nfs/dbraw/zinc/92/51/47/960925147.db2.gz NUDXCVNWNYXWCV-UHFFFAOYSA-N 0 1 239.290 2.129 20 0 BEADMN CC=CC=CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001141301875 961042652 /nfs/dbraw/zinc/04/26/52/961042652.db2.gz FKEVAWFGQNLNIH-IAROGAJJSA-N 0 1 243.266 2.339 20 0 BEADMN C[C@H]1CCCN(Cc2cn3c(n2)COCC3)CC1 ZINC001141526350 961094133 /nfs/dbraw/zinc/09/41/33/961094133.db2.gz DKECWORCBQIWOX-LBPRGKRZSA-N 0 1 249.358 2.035 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3c(n2)COCC3)[C@H]1C ZINC001141533545 961099711 /nfs/dbraw/zinc/09/97/11/961099711.db2.gz VHWGCGVKBDTQHN-NEPJUHHUSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@H]1CCCCN(Cc2cn3c(n2)COCC3)C1 ZINC001141526666 961103190 /nfs/dbraw/zinc/10/31/90/961103190.db2.gz LFBZDPQNPSWCNN-LBPRGKRZSA-N 0 1 249.358 2.035 20 0 BEADMN Cc1cnc(CNCC2SCCS2)s1 ZINC000692902573 961210722 /nfs/dbraw/zinc/21/07/22/961210722.db2.gz JOGSIZZDUUISJW-UHFFFAOYSA-N 0 1 246.426 2.347 20 0 BEADMN C[C@H]1CCN1Cc1cccc2c1OCO2 ZINC001141949924 961188532 /nfs/dbraw/zinc/18/85/32/961188532.db2.gz JOPHWFIKFZUKHN-VIFPVBQESA-N 0 1 205.257 2.010 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000251237989 961244355 /nfs/dbraw/zinc/24/43/55/961244355.db2.gz SHKOKZAEDCGNCV-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CCOCC1CCN(Cc2cnc(C)nc2)CC1 ZINC001203117657 961250015 /nfs/dbraw/zinc/25/00/15/961250015.db2.gz LCVADOUYXCQUHG-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CC1CN(Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142208733 961350121 /nfs/dbraw/zinc/35/01/21/961350121.db2.gz AMGWTRWHZSXJPD-UHFFFAOYSA-N 0 1 207.321 2.159 20 0 BEADMN CCOC(=O)c1c(F)cc(NC=N)cc1F ZINC001167868067 961354659 /nfs/dbraw/zinc/35/46/59/961354659.db2.gz PYVGYXUXNRWPTG-UHFFFAOYSA-N 0 1 228.198 2.160 20 0 BEADMN COC(=O)c1ccc2ncc(NC=N)cc2c1 ZINC001167868097 961355340 /nfs/dbraw/zinc/35/53/40/961355340.db2.gz RHZADRBNCZROTP-UHFFFAOYSA-N 0 1 229.239 2.040 20 0 BEADMN COCOCCc1nc2ccc(C)cc2[nH]1 ZINC001250591591 1169788233 /nfs/dbraw/zinc/78/82/33/1169788233.db2.gz RVUDJYUGCAXECD-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3C[C@H]3C1)C(=O)N2 ZINC001167891301 961491166 /nfs/dbraw/zinc/49/11/66/961491166.db2.gz MBCXZAQKLQCNGG-MIJXAVMKSA-N 0 1 242.322 2.376 20 0 BEADMN CC/C=C(/C)C(=O)NC1CN(CCC(C)C)C1 ZINC001268257595 961502991 /nfs/dbraw/zinc/50/29/91/961502991.db2.gz OLWZPBGNOCUYHK-SDQBBNPISA-N 0 1 238.375 2.189 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3[nH]cnc32)C1 ZINC001142676861 961610303 /nfs/dbraw/zinc/61/03/03/961610303.db2.gz UCPJMOWRWXXGDX-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN CCCOC1CN(Cc2cccc3nc[nH]c32)C1 ZINC001142686539 961625850 /nfs/dbraw/zinc/62/58/50/961625850.db2.gz FIZWRPZNMZVLSM-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CN(Cc1ccno1)Cc1cccc2nc[nH]c21 ZINC001142692438 961628499 /nfs/dbraw/zinc/62/84/99/961628499.db2.gz CWEGYAWUKFFBDO-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CCC(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001142719332 961683206 /nfs/dbraw/zinc/68/32/06/961683206.db2.gz IRANRUWKEYZBDJ-UHFFFAOYSA-N 0 1 221.235 2.359 20 0 BEADMN CC(C)[C@H](NC(=O)C(F)(F)F)c1cccnc1 ZINC001142770120 961727349 /nfs/dbraw/zinc/72/73/49/961727349.db2.gz KYBHPUOZKJIZQZ-VIFPVBQESA-N 0 1 246.232 2.457 20 0 BEADMN Fc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccn1 ZINC001139834564 961740151 /nfs/dbraw/zinc/74/01/51/961740151.db2.gz MZVLHOHBQCMTDR-DCAQKATOSA-N 0 1 224.254 2.153 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1ccnc(N)n1 ZINC000087824696 961755340 /nfs/dbraw/zinc/75/53/40/961755340.db2.gz VXXZHZKLNITHAE-VHSXEESVSA-N 0 1 220.320 2.297 20 0 BEADMN C[C@@H]1CN(Cc2ccnc3[nH]ccc32)C[C@H](C)O1 ZINC001142866812 961808459 /nfs/dbraw/zinc/80/84/59/961808459.db2.gz PAHPPYGKWIVIKO-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2ccnc3[nH]ccc32)[C@@H](C)CO1 ZINC001142883325 961809939 /nfs/dbraw/zinc/80/99/39/961809939.db2.gz ABQFGECEJRSUGG-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN CC1(C)COCCN1Cc1ccnc2[nH]ccc21 ZINC001142879081 961810078 /nfs/dbraw/zinc/81/00/78/961810078.db2.gz HMFRWKYTJZDCGW-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN F[C@@H]1CCCN(Cc2ccnc3[nH]ccc32)C1 ZINC001142881062 961811937 /nfs/dbraw/zinc/81/19/37/961811937.db2.gz NMPGEPUJTHPTAX-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@H]1CN(Cc2cccc3nonc32)C[C@@H]2C[C@@H]21 ZINC001203127365 961856419 /nfs/dbraw/zinc/85/64/19/961856419.db2.gz KDEVQJHMALJUMR-DCAQKATOSA-N 0 1 247.273 2.013 20 0 BEADMN Cc1cccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001225239253 961899710 /nfs/dbraw/zinc/89/97/10/961899710.db2.gz AKOBSZXUJAIQEA-NILFDRSVSA-N 0 1 245.322 2.178 20 0 BEADMN CC1CN(Cc2cc3cccnc3[nH]2)C1 ZINC001143211860 961956775 /nfs/dbraw/zinc/95/67/75/961956775.db2.gz JRFYQWPQTARFHK-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN COC(=O)c1cccnc1CN[C@H]1CC[C@@H](C)C1 ZINC000302263731 961980117 /nfs/dbraw/zinc/98/01/17/961980117.db2.gz CBTFHSMTOSKAPZ-MNOVXSKESA-N 0 1 248.326 2.146 20 0 BEADMN Cc1csc(CN2CCCC[C@@](C)(O)C2)n1 ZINC001204374967 962096853 /nfs/dbraw/zinc/09/68/53/962096853.db2.gz WPWFMPAPBNTXSD-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Fc1ccc([C@H]2CCCN2Cc2c[nH]nn2)cc1 ZINC001203198734 962165456 /nfs/dbraw/zinc/16/54/56/962165456.db2.gz PEEWYEBBHKYCEE-CYBMUJFWSA-N 0 1 246.289 2.281 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCC(C)(C)C2)n[nH]1 ZINC001151176100 962253710 /nfs/dbraw/zinc/25/37/10/962253710.db2.gz BCSMJQKYLMQCRL-LBPRGKRZSA-N 0 1 249.358 2.346 20 0 BEADMN CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](F)CC ZINC001151565598 962308397 /nfs/dbraw/zinc/30/83/97/962308397.db2.gz IMZPGONJZCTCQW-NEPJUHHUSA-N 0 1 246.370 2.361 20 0 BEADMN CCCC(=O)NC[C@@H](C)N(CC)C[C@@H](F)CC ZINC001151565598 962308408 /nfs/dbraw/zinc/30/84/08/962308408.db2.gz IMZPGONJZCTCQW-NEPJUHHUSA-N 0 1 246.370 2.361 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)c2[nH]ncc2F)c1 ZINC001152122363 962390997 /nfs/dbraw/zinc/39/09/97/962390997.db2.gz FOZULDAOBAFPMU-VIFPVBQESA-N 0 1 247.273 2.348 20 0 BEADMN C/C=C(\C)C(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001268958507 962390996 /nfs/dbraw/zinc/39/09/96/962390996.db2.gz TYWIWMOHWBEMTM-KGVSQERTSA-N 0 1 248.370 2.182 20 0 BEADMN CCC/C=C/CC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001268984515 962407743 /nfs/dbraw/zinc/40/77/43/962407743.db2.gz MFHOESLRAMCSKL-JARXHUJSSA-N 0 1 236.359 2.038 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)OCC(C)C ZINC000132448708 962425088 /nfs/dbraw/zinc/42/50/88/962425088.db2.gz BRDNPWXNIFXZRD-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1csc(CN2CC[C@H]3OCC[C@@H]3C2)n1 ZINC001204379339 962439853 /nfs/dbraw/zinc/43/98/53/962439853.db2.gz MBVBUHMFTPOXHS-GHMZBOCLSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1csc(CN2C[C@H]3[C@H](CF)[C@H]3C2)n1 ZINC001204379616 962448685 /nfs/dbraw/zinc/44/86/85/962448685.db2.gz QHAPDZNTWSMSFD-OWUUHHOZSA-N 0 1 226.320 2.099 20 0 BEADMN Cc1ccc(CCNCc2csnn2)cc1 ZINC000133186794 962571919 /nfs/dbraw/zinc/57/19/19/962571919.db2.gz QHZQDBSTUQIKRC-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN Cc1cnc([C@H](C)NCCOC2CC2)s1 ZINC000711757248 962765062 /nfs/dbraw/zinc/76/50/62/962765062.db2.gz BUXDYZWIFGOIBV-VIFPVBQESA-N 0 1 226.345 2.281 20 0 BEADMN c1cc([C@@H]2CN([C@@H]3C[C@H]4C[C@H]4C3)CCO2)ccn1 ZINC001167958291 962824117 /nfs/dbraw/zinc/82/41/17/962824117.db2.gz ZETUOOJFZOKTJM-XGUBFFRZSA-N 0 1 244.338 2.253 20 0 BEADMN Cc1cc(C)n(CCNc2cc(C)ccn2)n1 ZINC001154780697 962846995 /nfs/dbraw/zinc/84/69/95/962846995.db2.gz VDYHHMVBUNKCAL-UHFFFAOYSA-N 0 1 230.315 2.315 20 0 BEADMN Cc1nc2c(o1)CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167960478 962854309 /nfs/dbraw/zinc/85/43/09/962854309.db2.gz ZGHBNAFWWZKTJE-URLYPYJESA-N 0 1 218.300 2.140 20 0 BEADMN O[C@@H](CNc1ccc2c(n1)CCC2)c1ccco1 ZINC001154875686 962878946 /nfs/dbraw/zinc/87/89/46/962878946.db2.gz REBVVRIKVQNLDQ-LBPRGKRZSA-N 0 1 244.294 2.309 20 0 BEADMN Cn1cncc1CN1CCC(F)(F)C(C)(C)C1 ZINC001204383575 962906410 /nfs/dbraw/zinc/90/64/10/962906410.db2.gz JABOHMKJVIRHPB-UHFFFAOYSA-N 0 1 243.301 2.287 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963073 962920663 /nfs/dbraw/zinc/92/06/63/962920663.db2.gz BAAANYSABGXSSW-LLVKDONJSA-N 0 1 246.370 2.219 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1ncc2c(n1)CNC2 ZINC001155071695 962961674 /nfs/dbraw/zinc/96/16/74/962961674.db2.gz CIAOHXWKYORVKC-MNOVXSKESA-N 0 1 246.358 2.318 20 0 BEADMN CCN(C)c1cc(C)nc(N2CCC[C@@H](C)C2)n1 ZINC001155190792 963017836 /nfs/dbraw/zinc/01/78/36/963017836.db2.gz RCCCVZHJMOUFOC-LLVKDONJSA-N 0 1 248.374 2.477 20 0 BEADMN CC(C)CNc1cc(O[C@H]2CCOC2)ccn1 ZINC001161652617 963041361 /nfs/dbraw/zinc/04/13/61/963041361.db2.gz AONJJCUPNLHMHM-LBPRGKRZSA-N 0 1 236.315 2.317 20 0 BEADMN CCCCOC[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226155149 963071099 /nfs/dbraw/zinc/07/10/99/963071099.db2.gz CSRUNWHRGXBGMW-JTQLQIEISA-N 0 1 240.303 2.075 20 0 BEADMN CCOc1ccnc(N2C[C@@H](C)OC[C@H]2C)c1 ZINC001155417643 963071839 /nfs/dbraw/zinc/07/18/39/963071839.db2.gz LBLGTRMWKSQYMR-GHMZBOCLSA-N 0 1 236.315 2.094 20 0 BEADMN Cn1c(Cl)ncc1CNCc1ccccc1 ZINC000696481641 963119817 /nfs/dbraw/zinc/11/98/17/963119817.db2.gz BCOVYUGHLCJOHN-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN Cc1ccnc(N[C@H]2CN3CCC2CC3)c1F ZINC001155668473 963153489 /nfs/dbraw/zinc/15/34/89/963153489.db2.gz ZOWIQMIKDWWOJT-NSHDSACASA-N 0 1 235.306 2.035 20 0 BEADMN CCn1ncnc1CNCC(C)(C)C(C)(F)F ZINC000696578539 963258319 /nfs/dbraw/zinc/25/83/19/963258319.db2.gz VIWDNAPKZPOODU-UHFFFAOYSA-N 0 1 246.305 2.069 20 0 BEADMN C/C=C\C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001156114831 963258776 /nfs/dbraw/zinc/25/87/76/963258776.db2.gz UVINLGFPFIRDCY-IHWYPQMZSA-N 0 1 246.245 2.125 20 0 BEADMN Cc1nonc1CNc1cc(C)c(C)cn1 ZINC001156087908 963259555 /nfs/dbraw/zinc/25/95/55/963259555.db2.gz QOSNRDQOTMNBGV-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN CC(F)(F)C(C)(C)CNCc1ncc[nH]1 ZINC000696619188 963297549 /nfs/dbraw/zinc/29/75/49/963297549.db2.gz WKJYPUOKVWNZKE-UHFFFAOYSA-N 0 1 217.263 2.181 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000308655040 963298228 /nfs/dbraw/zinc/29/82/28/963298228.db2.gz MZNQLDZVJHYZMB-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC=C(C)C ZINC000196355052 963403357 /nfs/dbraw/zinc/40/33/57/963403357.db2.gz NIBKQDDRPAUKNT-BETUJISGSA-N 0 1 236.359 2.038 20 0 BEADMN C/C(=C\C(=O)[O-])Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000311236253 963471435 /nfs/dbraw/zinc/47/14/35/963471435.db2.gz WJDLGAUWJAAPOX-HSHPDBBSSA-N 0 1 248.326 2.285 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)n[nH]1 ZINC001157200711 963556796 /nfs/dbraw/zinc/55/67/96/963556796.db2.gz QMOLOQBSGACGTN-GAFUQQFSSA-N 0 1 247.342 2.428 20 0 BEADMN CCOc1ccnc(N(C)Cc2ccno2)c1 ZINC001157348746 963580029 /nfs/dbraw/zinc/58/00/29/963580029.db2.gz NHXDWUMQOOBCGS-UHFFFAOYSA-N 0 1 233.271 2.105 20 0 BEADMN C[C@H]1C[C@H](n2c(CN)nc3ccccc32)CCO1 ZINC001168072750 963605521 /nfs/dbraw/zinc/60/55/21/963605521.db2.gz XUVONPSDSWHPRV-WDEREUQCSA-N 0 1 245.326 2.235 20 0 BEADMN C[C@@H]1C[C@H](NC2(c3ccccc3)COC2)CCO1 ZINC001168080386 963622904 /nfs/dbraw/zinc/62/29/04/963622904.db2.gz UXXYMHZARVHUML-TZMCWYRMSA-N 0 1 247.338 2.069 20 0 BEADMN Cc1cnc(NCc2ccc(=O)[nH]c2)cc1C ZINC001157517755 963639935 /nfs/dbraw/zinc/63/99/35/963639935.db2.gz BGNNJCUIYBFICP-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN CC(C)N1CC(Nc2nccc3scnc32)C1 ZINC001157530930 963644376 /nfs/dbraw/zinc/64/43/76/963644376.db2.gz IPRLDUBAYWTIAF-UHFFFAOYSA-N 0 1 248.355 2.196 20 0 BEADMN CSc1cccc(NC2CN(C(C)C)C2)n1 ZINC001157529629 963644991 /nfs/dbraw/zinc/64/49/91/963644991.db2.gz JSXRKARSJPTMGV-UHFFFAOYSA-N 0 1 237.372 2.308 20 0 BEADMN Cc1cnc(NCc2cnc(C)nc2)cc1C ZINC001157603723 963673739 /nfs/dbraw/zinc/67/37/39/963673739.db2.gz IBAWBZIHMCYSCV-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN CC1(C)CCC[C@@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228387476 963769545 /nfs/dbraw/zinc/76/95/45/963769545.db2.gz BNLLKHMISSVKAQ-MRVPVSSYSA-N 0 1 238.287 2.235 20 0 BEADMN Cc1ccccc1[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388318 963771433 /nfs/dbraw/zinc/77/14/33/963771433.db2.gz HIZWWGRGUTYZKH-SECBINFHSA-N 0 1 246.266 2.336 20 0 BEADMN C[C@@H]1C[C@H](N2CC(Oc3ccccc3)C2)CCO1 ZINC001168128778 963806595 /nfs/dbraw/zinc/80/65/95/963806595.db2.gz UKFUJVLUXNMFJA-CHWSQXEVSA-N 0 1 247.338 2.317 20 0 BEADMN Cc1cnc(CN)n1-c1nccc2ccccc21 ZINC001158162945 963814857 /nfs/dbraw/zinc/81/48/57/963814857.db2.gz JKIXUMTWTOXKCW-UHFFFAOYSA-N 0 1 238.294 2.188 20 0 BEADMN CCCOC[C@@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228479125 963822974 /nfs/dbraw/zinc/82/29/74/963822974.db2.gz ADKJBGYQOFTEMP-SSDOTTSWSA-N 0 1 246.694 2.030 20 0 BEADMN CCc1cc(CN(C)CCc2ccccn2)on1 ZINC001203213222 963847616 /nfs/dbraw/zinc/84/76/16/963847616.db2.gz MYKQXIHZAAERRO-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN Cc1ccc(NCc2ncccc2O)nc1C ZINC001158773764 963921546 /nfs/dbraw/zinc/92/15/46/963921546.db2.gz BAMZJALQEPTKNP-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN COC[C@@H](C[N@@H+](CCC(=O)[O-])C(C)C)C(C)C ZINC000721861146 963934565 /nfs/dbraw/zinc/93/45/65/963934565.db2.gz SESPHPVTTOHKIG-GFCCVEGCSA-N 0 1 245.363 2.090 20 0 BEADMN CC(C)[C@H](C)Oc1nnc2c[nH]ccc1-2 ZINC001228989698 963935006 /nfs/dbraw/zinc/93/50/06/963935006.db2.gz IZDSXDCKMBRVAL-QMMMGPOBSA-N 0 1 205.261 2.381 20 0 BEADMN F[C@H]1C[C@H](CNc2ccnc3[nH]cnc32)C1 ZINC001168237348 964037279 /nfs/dbraw/zinc/03/72/79/964037279.db2.gz HPAZJKDJDCVTNC-ZKCHVHJHSA-N 0 1 220.251 2.118 20 0 BEADMN Cc1cc(N(C)C)nc(NC[C@H]2C[C@H](F)C2)n1 ZINC001168237041 964037413 /nfs/dbraw/zinc/03/74/13/964037413.db2.gz KEYVLDVBHGDLSK-MGCOHNPYSA-N 0 1 238.310 2.011 20 0 BEADMN CCN(Cc1cc[nH]c1)Cc1ccccn1 ZINC000093338839 964103621 /nfs/dbraw/zinc/10/36/21/964103621.db2.gz PHLWXNNHMTYZEL-UHFFFAOYSA-N 0 1 215.300 2.432 20 0 BEADMN CC(C)[C@H]1CN([C@H](C)Cc2ccncc2)CCO1 ZINC001256750509 1169835047 /nfs/dbraw/zinc/83/50/47/1169835047.db2.gz UJZXRAIPXMDLTQ-UKRRQHHQSA-N 0 1 248.370 2.369 20 0 BEADMN CCO/C=C/C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001159705237 964160006 /nfs/dbraw/zinc/16/00/06/964160006.db2.gz SUPQPYQYNPYHAE-VOTSOKGWSA-N 0 1 245.282 2.360 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc2cc(C)ccc2n1 ZINC001159739659 964170675 /nfs/dbraw/zinc/17/06/75/964170675.db2.gz LNEKRPHETCKVHJ-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@](N)(CO)Nc1cc(C)c2ccccc2n1 ZINC001159743465 964179021 /nfs/dbraw/zinc/17/90/21/964179021.db2.gz GGFJOEDIIKLRPP-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CCc1coc(CN[C@H](C)Cc2ccncc2)n1 ZINC001256715614 1169837125 /nfs/dbraw/zinc/83/71/25/1169837125.db2.gz DOXYFZBVWHWZEQ-LLVKDONJSA-N 0 1 245.326 2.353 20 0 BEADMN Cc1ccc(NCCC(=O)NC(C)(C)C)nc1C ZINC001160413964 964299368 /nfs/dbraw/zinc/29/93/68/964299368.db2.gz QLEZWFKRBICBFV-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN Cc1cc(CN2C[C@H](O)C[C@H]2C)cc(F)c1F ZINC001143597671 964365444 /nfs/dbraw/zinc/36/54/44/964365444.db2.gz ULGMRLVUCHGVOH-MWLCHTKSSA-N 0 1 241.281 2.228 20 0 BEADMN CCc1ccc(NC2CN(C(C)C)C2)nc1 ZINC001168314656 964422505 /nfs/dbraw/zinc/42/25/05/964422505.db2.gz PUAKVBYWRMPYEO-UHFFFAOYSA-N 0 1 219.332 2.149 20 0 BEADMN CC(C)N1CC(Nc2ccc3ncn(C)c3c2)C1 ZINC001168315461 964424534 /nfs/dbraw/zinc/42/45/34/964424534.db2.gz PVJFOGUOZWJAHH-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CC(C)Oc1cc(NC2CN(C(C)C)C2)ccn1 ZINC001168315173 964425893 /nfs/dbraw/zinc/42/58/93/964425893.db2.gz ITQDDBMGSCHICI-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN CC(C)N1CC(Nc2ccc3ocnc3c2)C1 ZINC001168314815 964427271 /nfs/dbraw/zinc/42/72/71/964427271.db2.gz ADXMPSQIBKHHDY-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN CC(C)N1CC(Nc2ccc(C3CC3)nc2)C1 ZINC001168317630 964432485 /nfs/dbraw/zinc/43/24/85/964432485.db2.gz PSPVXDIPBMJGBC-UHFFFAOYSA-N 0 1 231.343 2.464 20 0 BEADMN COC(CN(C)Cc1cc(F)ccc1C)OC ZINC000714688488 964439792 /nfs/dbraw/zinc/43/97/92/964439792.db2.gz GJNVJLLFFJJHIQ-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN CCC1(Nc2cc3nc[nH]c3cc2F)COC1 ZINC001168325453 964449808 /nfs/dbraw/zinc/44/98/08/964449808.db2.gz PXKHWRIKSBMANP-UHFFFAOYSA-N 0 1 235.262 2.293 20 0 BEADMN CCC1(CNc2cn3ccnc3cc2C)COC1 ZINC001168332161 964464163 /nfs/dbraw/zinc/46/41/63/964464163.db2.gz HVNQGNNXKISNHD-UHFFFAOYSA-N 0 1 245.326 2.481 20 0 BEADMN Nc1cn(-c2cccc3nc[nH]c32)c2cccnc12 ZINC001213028801 964483665 /nfs/dbraw/zinc/48/36/65/964483665.db2.gz XPQSFDAUWZNDBG-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CCC1CCC(N2CCN(CC)C(=O)C2)CC1 ZINC001256874801 1169843878 /nfs/dbraw/zinc/84/38/78/1169843878.db2.gz IUNWZBILFBQKOI-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231657 964557155 /nfs/dbraw/zinc/55/71/55/964557155.db2.gz NLTXDKXZQTXSAM-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN CCC(C)(CC)C(=O)N1CC(N2CCCC2)C1 ZINC000898604210 964642671 /nfs/dbraw/zinc/64/26/71/964642671.db2.gz VCXLCZBNWIQIBH-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(C[C@@H]1C=CCCC1)N1CC(N2CCCC2)C1 ZINC000898603575 964643422 /nfs/dbraw/zinc/64/34/22/964643422.db2.gz PKBSOVWKVSFHHS-CYBMUJFWSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)c1nc2c(ncnc2NCC(F)F)[nH]1 ZINC001161811653 964765187 /nfs/dbraw/zinc/76/51/87/964765187.db2.gz RIWPIWNKXCIIHH-UHFFFAOYSA-N 0 1 241.245 2.153 20 0 BEADMN FC(F)CNc1cc(OC(F)F)ccn1 ZINC001161817229 964770406 /nfs/dbraw/zinc/77/04/06/964770406.db2.gz HNHHYNSZOAZRLS-UHFFFAOYSA-N 0 1 224.157 2.360 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccoc2C)no1 ZINC000160450698 964818474 /nfs/dbraw/zinc/81/84/74/964818474.db2.gz FXDFVUYPVOZJTA-SSDOTTSWSA-N 0 1 221.260 2.309 20 0 BEADMN Cc1ccc(NCc2ccnn2CCF)nc1C ZINC001162018565 964844444 /nfs/dbraw/zinc/84/44/44/964844444.db2.gz LQHFPWKOYMYIDW-UHFFFAOYSA-N 0 1 248.305 2.477 20 0 BEADMN Cc1ccnc(CNc2ccc3nc[nH]c3c2)n1 ZINC001162196094 964864320 /nfs/dbraw/zinc/86/43/20/964864320.db2.gz CJNIETCJLOJRDJ-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN c1nc2ccc(NCCC3CCOCC3)nc2[nH]1 ZINC001162217423 964877435 /nfs/dbraw/zinc/87/74/35/964877435.db2.gz SSJGHLYPYXWBLC-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN c1cc2[nH]nnc2c(NCCC2CCOCC2)c1 ZINC001162220987 964881030 /nfs/dbraw/zinc/88/10/30/964881030.db2.gz DDMMAXHOUBLRMJ-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN CC(C)c1nccc(NC2CN(C(C)(C)C)C2)n1 ZINC001162220913 964881450 /nfs/dbraw/zinc/88/14/50/964881450.db2.gz DKCHIKVZXRVCOE-UHFFFAOYSA-N 0 1 248.374 2.495 20 0 BEADMN Cc1ccnc(NC[C@H](O)c2ccco2)c1C ZINC001162251770 964890055 /nfs/dbraw/zinc/89/00/55/964890055.db2.gz LDZZIOJHSLPZSP-NSHDSACASA-N 0 1 232.283 2.437 20 0 BEADMN O[C@H](CNc1cccn2cncc12)c1ccco1 ZINC001162262196 964893511 /nfs/dbraw/zinc/89/35/11/964893511.db2.gz DUQRAPIDKSRZDQ-GFCCVEGCSA-N 0 1 243.266 2.073 20 0 BEADMN Cc1cnc(N[C@@H]2CCOC[C@@H]2F)c(C)c1 ZINC001162345705 964939759 /nfs/dbraw/zinc/93/97/59/964939759.db2.gz KHIUNXQWMDACEM-WDEREUQCSA-N 0 1 224.279 2.237 20 0 BEADMN Cc1cc2nccn2cc1N[C@@H](CO)CC(C)C ZINC001162370582 964947131 /nfs/dbraw/zinc/94/71/31/964947131.db2.gz JXSALTDWFBIFCF-GFCCVEGCSA-N 0 1 247.342 2.462 20 0 BEADMN CC(C)C[C@H](CO)Nc1ccc2nc[nH]c2c1 ZINC001162372103 964947713 /nfs/dbraw/zinc/94/77/13/964947713.db2.gz CAFLLMITJHQAKL-LLVKDONJSA-N 0 1 233.315 2.382 20 0 BEADMN CC(C)(O)[C@H](F)CNc1ccc2c(n1)CCC2 ZINC001162411346 964968035 /nfs/dbraw/zinc/96/80/35/964968035.db2.gz GJSFLUAYQGDKFJ-LLVKDONJSA-N 0 1 238.306 2.091 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1cc2c(nn1)CNC2 ZINC001162526475 965027368 /nfs/dbraw/zinc/02/73/68/965027368.db2.gz QETROVPDVGYHKO-WDEREUQCSA-N 0 1 246.358 2.318 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1cnc(CN)nc1 ZINC001162527968 965028691 /nfs/dbraw/zinc/02/86/91/965028691.db2.gz ZTYGEMJGGBPTKJ-MNOVXSKESA-N 0 1 234.347 2.174 20 0 BEADMN Cc1ccc(NC[C@H](O)c2ccncc2)nc1C ZINC001162545289 965035233 /nfs/dbraw/zinc/03/52/33/965035233.db2.gz VNNOXALXZBHXLK-ZDUSSCGKSA-N 0 1 243.310 2.239 20 0 BEADMN O=C1OCCC1=Nc1nc(Cl)cc2[nH]ccc21 ZINC001162702736 965127795 /nfs/dbraw/zinc/12/77/95/965127795.db2.gz PWHMSBSYXUCHJU-UHFFFAOYSA-N 0 1 249.657 2.069 20 0 BEADMN Cc1cnc(N[C@@H](C)c2ccno2)c(N)c1 ZINC001163213599 965308995 /nfs/dbraw/zinc/30/89/95/965308995.db2.gz PACNBZUSEJKSGV-QMMMGPOBSA-N 0 1 218.260 2.133 20 0 BEADMN Cc1ncc(CN(Cc2ccco2)C2CC2)[nH]1 ZINC001232464387 965356167 /nfs/dbraw/zinc/35/61/67/965356167.db2.gz BICHVAZNTCXZON-UHFFFAOYSA-N 0 1 231.299 2.476 20 0 BEADMN C[C@@H]1CN(Cc2cc3ccoc3cn2)CC[C@H]1O ZINC001232550293 965377069 /nfs/dbraw/zinc/37/70/69/965377069.db2.gz RXUSHAWKGUVZON-ZWNOBZJWSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@@H]1C[C@@H](O)CCN1Cc1cc2ccoc2cn1 ZINC001232553707 965379103 /nfs/dbraw/zinc/37/91/03/965379103.db2.gz CJTJDCWFBLOLDQ-MFKMUULPSA-N 0 1 246.310 2.173 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1Nc1nccnc1CN ZINC001163669069 965499652 /nfs/dbraw/zinc/49/96/52/965499652.db2.gz VVNPLDQXQCIFEQ-VHSXEESVSA-N 0 1 234.347 2.172 20 0 BEADMN CCN(C)c1cc(C)nc(N2CC(C)(C)C2)n1 ZINC001163724321 965536580 /nfs/dbraw/zinc/53/65/80/965536580.db2.gz ROMYATARAKFZDM-UHFFFAOYSA-N 0 1 234.347 2.087 20 0 BEADMN Nc1ccccc1CNc1cccc2[nH]nnc21 ZINC001163890517 965621186 /nfs/dbraw/zinc/62/11/86/965621186.db2.gz RQNACJHSKVGLTJ-UHFFFAOYSA-N 0 1 239.282 2.152 20 0 BEADMN CCN(C)c1cc(C)nc(N(C)C2CC(C)C2)n1 ZINC001164193704 965785799 /nfs/dbraw/zinc/78/57/99/965785799.db2.gz GNCGQNIQWBQZDP-UHFFFAOYSA-N 0 1 248.374 2.476 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@H](O)[C@@H](C)C2)c1 ZINC001164216515 965799507 /nfs/dbraw/zinc/79/95/07/965799507.db2.gz JCPPAKNXTYOFIJ-AAEUAGOBSA-N 0 1 234.343 2.296 20 0 BEADMN C[C@H](COc1ccccc1)NCc1cnccn1 ZINC000699346037 965848439 /nfs/dbraw/zinc/84/84/39/965848439.db2.gz XPJVACPZSBKTHI-GFCCVEGCSA-N 0 1 243.310 2.034 20 0 BEADMN OCC1(CNc2cc3nc[nH]c3cc2F)CCC1 ZINC001164367205 965862401 /nfs/dbraw/zinc/86/24/01/965862401.db2.gz XEXUBSCKEGAKBQ-UHFFFAOYSA-N 0 1 249.289 2.277 20 0 BEADMN CN(C)Cc1cccc(NCCn2cccc2)n1 ZINC001164447808 965887733 /nfs/dbraw/zinc/88/77/33/965887733.db2.gz YBHXQKPSPKAUAC-UHFFFAOYSA-N 0 1 244.342 2.057 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)N1CC(C)(CO)C1 ZINC001168482172 965897776 /nfs/dbraw/zinc/89/77/76/965897776.db2.gz UDVUZHCTPYYBJS-NSHDSACASA-N 0 1 237.318 2.071 20 0 BEADMN COc1ccnc(N2CC(F)(F)C[C@H]2CF)c1 ZINC001164521121 965899816 /nfs/dbraw/zinc/89/98/16/965899816.db2.gz BKRZSPDEYMYHEF-QMMMGPOBSA-N 0 1 246.232 2.274 20 0 BEADMN CCOc1ccnc(N2CC[C@@]3(CCOC3)C2)c1 ZINC001165251780 966005651 /nfs/dbraw/zinc/00/56/51/966005651.db2.gz RWBSFKNYVJXQOS-CQSZACIVSA-N 0 1 248.326 2.097 20 0 BEADMN Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)nc1C ZINC001165267934 966018775 /nfs/dbraw/zinc/01/87/75/966018775.db2.gz DEGXUFDDRYYGEC-OLZOCXBDSA-N 0 1 232.327 2.171 20 0 BEADMN COc1cncc(CNCc2cncc(C)c2)c1 ZINC000699767242 966079107 /nfs/dbraw/zinc/07/91/07/966079107.db2.gz RZJNYOKQXZVCPN-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN C[C@@H](O)CN(Cc1cccc(Cl)n1)C1CC1 ZINC000691348769 966101285 /nfs/dbraw/zinc/10/12/85/966101285.db2.gz IJPZYANCVYZGON-SECBINFHSA-N 0 1 240.734 2.080 20 0 BEADMN CCc1nc(SCc2cc(C)ns2)n[nH]1 ZINC001165481933 966109412 /nfs/dbraw/zinc/10/94/12/966109412.db2.gz NMBXFOKKYOOSPW-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1n[nH]c(SCc2cc(C)ns2)n1 ZINC001165481933 966109419 /nfs/dbraw/zinc/10/94/19/966109419.db2.gz NMBXFOKKYOOSPW-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCOCC[C@H](C)NCc1ncc(Cl)cn1 ZINC001172412905 974677559 /nfs/dbraw/zinc/67/75/59/974677559.db2.gz XATNNAOLFBPRSM-VIFPVBQESA-N 0 1 243.738 2.035 20 0 BEADMN CC[C@H](C)N(CC)C(=O)CCN1CC[C@H](F)C1 ZINC001166453649 966281166 /nfs/dbraw/zinc/28/11/66/966281166.db2.gz KOZKFEXFELSEBL-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C2/CC[C@@H](C)C2)c1C ZINC001123902322 966307753 /nfs/dbraw/zinc/30/77/53/966307753.db2.gz UKZMAEFMJPCUJN-JBBGTMGVSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1ccc(N2CCCCC23COC3)nc1C ZINC001166693266 966369363 /nfs/dbraw/zinc/36/93/63/966369363.db2.gz XZEYHBVQKPRZLY-UHFFFAOYSA-N 0 1 232.327 2.458 20 0 BEADMN CC(C)COc1ccc(-n2cncc2N)cc1 ZINC001212283419 966448253 /nfs/dbraw/zinc/44/82/53/966448253.db2.gz GUESTAIFHIKBOT-UHFFFAOYSA-N 0 1 231.299 2.489 20 0 BEADMN Cc1nc2ccc(Nc3ccn(C)n3)cc2[nH]1 ZINC001213070457 966479621 /nfs/dbraw/zinc/47/96/21/966479621.db2.gz QVGARSGOMAMPEV-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC(C)Oc1cccc(-n2cncc2N)c1F ZINC001212319517 966482616 /nfs/dbraw/zinc/48/26/16/966482616.db2.gz JVPVPSOSRVKCNU-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN Cc1cnc(N2CC[C@@H](O)C[C@H]2C)cc1C ZINC001166964096 966489353 /nfs/dbraw/zinc/48/93/53/966489353.db2.gz RAVZAJWRGXBIPU-VXGBXAGGSA-N 0 1 220.316 2.048 20 0 BEADMN c1nc2ccccn2c1CN1CCC[C@H]2C[C@H]21 ZINC001203157116 966537534 /nfs/dbraw/zinc/53/75/34/966537534.db2.gz LBKCOROEIIJNKC-WCQYABFASA-N 0 1 227.311 2.319 20 0 BEADMN CCOC1CCN(Cc2cc(CC)no2)CC1 ZINC001203219460 966563465 /nfs/dbraw/zinc/56/34/65/966563465.db2.gz OKZKZNSXPHVWIR-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCO[C@H]1CCCN(Cc2cc(CC)no2)C1 ZINC001203218124 966564998 /nfs/dbraw/zinc/56/49/98/966564998.db2.gz ARTNSHWBMWMERZ-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CC[C@H](F)CN(C)[C@H](C)CNC(=O)C=C(C)C ZINC001485270726 966574673 /nfs/dbraw/zinc/57/46/73/966574673.db2.gz PTTOYDUEDQSYHJ-NEPJUHHUSA-N 0 1 244.354 2.137 20 0 BEADMN O[C@H]1CCN(Cc2ccccc2F)CC[C@H]1F ZINC001203345916 966609593 /nfs/dbraw/zinc/60/95/93/966609593.db2.gz BVUFAFSRYZRUTE-OLZOCXBDSA-N 0 1 241.281 2.121 20 0 BEADMN Cn1cnc(CNCc2cccc3[nH]ccc32)c1 ZINC001203457552 966652986 /nfs/dbraw/zinc/65/29/86/966652986.db2.gz KPRYYTKHWNJGIO-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CNc1ccc(C)cc1CNC[C@@H]1CC(C)=NO1 ZINC001203521514 966675714 /nfs/dbraw/zinc/67/57/14/966675714.db2.gz GROHLDSUUOYEDK-ZDUSSCGKSA-N 0 1 247.342 2.291 20 0 BEADMN COc1ccc(OC)c(C[N@H+]2CC[C@H]2C)c1 ZINC001203520912 966675949 /nfs/dbraw/zinc/67/59/49/966675949.db2.gz RSDBKSCJWVQNJA-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN COc1ccc(OC)c(CN2CC[C@H]2C)c1 ZINC001203520912 966675959 /nfs/dbraw/zinc/67/59/59/966675959.db2.gz RSDBKSCJWVQNJA-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN Cc1sccc1CN1CCCC12COC2 ZINC001237972356 966704937 /nfs/dbraw/zinc/70/49/37/966704937.db2.gz QZQDPLKDUNTQLW-UHFFFAOYSA-N 0 1 223.341 2.421 20 0 BEADMN CC1(C)CCC(=CC(=O)OCc2nnc[nH]2)CC1 ZINC001329431061 966795244 /nfs/dbraw/zinc/79/52/44/966795244.db2.gz YXVASPJYDIJFQX-UHFFFAOYSA-N 0 1 249.314 2.375 20 0 BEADMN COc1cc(CN2CC=CC2)cc(OC)c1 ZINC001203853990 966798630 /nfs/dbraw/zinc/79/86/30/966798630.db2.gz CKQYXEVDEZGHEJ-UHFFFAOYSA-N 0 1 219.284 2.076 20 0 BEADMN CCOc1ccc(CCNCc2ccon2)cc1 ZINC001203934737 966825556 /nfs/dbraw/zinc/82/55/56/966825556.db2.gz DLFZSIHHWLJJGL-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN CC[C@H]1COCCN1Cc1ccnc2[nH]ccc21 ZINC001142878983 966826535 /nfs/dbraw/zinc/82/65/35/966826535.db2.gz CLHJYMMXDUQSDJ-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN CC1(C)CCC2(CCN(Cc3ncc[nH]3)CC2)O1 ZINC001203980088 966837606 /nfs/dbraw/zinc/83/76/06/966837606.db2.gz LJJWHPCDPUBVRZ-UHFFFAOYSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1ncc[nH]1 ZINC000528003120 966842030 /nfs/dbraw/zinc/84/20/30/966842030.db2.gz RRFMBPHBPBIZOJ-DGCLKSJQSA-N 0 1 248.374 2.077 20 0 BEADMN CC(C)c1nc(CCN(C)Cc2ccc[nH]2)no1 ZINC001204006431 966844311 /nfs/dbraw/zinc/84/43/11/966844311.db2.gz JNAIAOPKZQLYMQ-UHFFFAOYSA-N 0 1 248.330 2.196 20 0 BEADMN Cc1ccccc1NC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001239305395 966846922 /nfs/dbraw/zinc/84/69/22/966846922.db2.gz XYQYASQMCCVVFR-VXGBXAGGSA-N 0 1 247.342 2.209 20 0 BEADMN Cc1ccsc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001204019420 966853885 /nfs/dbraw/zinc/85/38/85/966853885.db2.gz YGGXGOBHGGITFD-WDEREUQCSA-N 0 1 243.347 2.209 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC001204049721 966867842 /nfs/dbraw/zinc/86/78/42/966867842.db2.gz JGEFSAMQXGINJH-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204151720 966902200 /nfs/dbraw/zinc/90/22/00/966902200.db2.gz XVPXAOUKVOZOEM-BXKDBHETSA-N 0 1 237.274 2.317 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001204157242 966905224 /nfs/dbraw/zinc/90/52/24/966905224.db2.gz WJRZXYWEAFQUSU-XYYAHUGASA-N 0 1 249.285 2.032 20 0 BEADMN CCc1ccc(CN2CC3(COC3)C2)cc1 ZINC001204173568 966913912 /nfs/dbraw/zinc/91/39/12/966913912.db2.gz COBCCJFOLLHPIA-UHFFFAOYSA-N 0 1 217.312 2.081 20 0 BEADMN O[C@@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC001204193602 966925046 /nfs/dbraw/zinc/92/50/46/966925046.db2.gz PSDFYOXQTYUWFL-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cc(F)cc(F)c1 ZINC001204228076 966931671 /nfs/dbraw/zinc/93/16/71/966931671.db2.gz NWHBLQUWVLFODT-ZANVPECISA-N 0 1 241.281 2.310 20 0 BEADMN O[C@H]1CCCCN(Cc2ccc(F)c(F)c2)C1 ZINC001204223381 966933620 /nfs/dbraw/zinc/93/36/20/966933620.db2.gz HFVJVJXVEGIWHO-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN FC1(F)CO[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC001204243613 966942956 /nfs/dbraw/zinc/94/29/56/966942956.db2.gz AWXDNQNNANEXEZ-LLVKDONJSA-N 0 1 243.253 2.280 20 0 BEADMN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccoc2)CC1 ZINC001204247389 966947694 /nfs/dbraw/zinc/94/76/94/966947694.db2.gz KEVPZDJMLMPVAM-GFCCVEGCSA-N 0 1 237.299 2.055 20 0 BEADMN COC(=O)[C@@H]1CCCN(Cc2ccoc2)CC1 ZINC001204247389 966947703 /nfs/dbraw/zinc/94/77/03/966947703.db2.gz KEVPZDJMLMPVAM-GFCCVEGCSA-N 0 1 237.299 2.055 20 0 BEADMN COc1nc(-c2ccsc2)nc2[nH]cnc21 ZINC001239510248 966951592 /nfs/dbraw/zinc/95/15/92/966951592.db2.gz WOTFGSLEVKUGMW-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)n1 ZINC001204374443 966986841 /nfs/dbraw/zinc/98/68/41/966986841.db2.gz KYLSEXAZNIXSAN-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CC[C@@H](C)[C@@](C)(O)C2)n1 ZINC001204374443 966986857 /nfs/dbraw/zinc/98/68/57/966986857.db2.gz KYLSEXAZNIXSAN-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN CCc1ccc(CN2CC[C@@H](C(C)=O)C2)o1 ZINC001204395068 966989481 /nfs/dbraw/zinc/98/94/81/966989481.db2.gz YWLPNENSBDAHHK-LLVKDONJSA-N 0 1 221.300 2.253 20 0 BEADMN CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032606077 967003085 /nfs/dbraw/zinc/00/30/85/967003085.db2.gz NODWDEAISFJLHZ-STQMWFEESA-N 0 1 248.370 2.038 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001204506772 967010394 /nfs/dbraw/zinc/01/03/94/967010394.db2.gz NHTIDWDNRJJRMJ-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001204506771 967011819 /nfs/dbraw/zinc/01/18/19/967011819.db2.gz NHTIDWDNRJJRMJ-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN CCN(Cc1nccs1)C1CCOCC1 ZINC001204547044 967046586 /nfs/dbraw/zinc/04/65/86/967046586.db2.gz XAPHRMDBHBGIAD-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN C[N@@H+](Cc1ccc(F)c(C(=O)[O-])c1F)C1CC1 ZINC001249761166 967049924 /nfs/dbraw/zinc/04/99/24/967049924.db2.gz SUIJZUWKXDHHNT-UHFFFAOYSA-N 0 1 241.237 2.257 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000094680186 967062601 /nfs/dbraw/zinc/06/26/01/967062601.db2.gz ZICMEJXVBIKGGF-CYBMUJFWSA-N 0 1 233.311 2.193 20 0 BEADMN Cc1nc[nH]c1CN1CCC(OC(C)C)CC1 ZINC001204589808 967081470 /nfs/dbraw/zinc/08/14/70/967081470.db2.gz YZBSFKVALSZCNQ-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1nc[nH]c1CN1CCC[C@@H]1c1ccncc1 ZINC001204589019 967085567 /nfs/dbraw/zinc/08/55/67/967085567.db2.gz QCCLWMJCGSGXBQ-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN COC(=O)c1cccc(CN2CC3(CCC3)C2)c1 ZINC001204641943 967115739 /nfs/dbraw/zinc/11/57/39/967115739.db2.gz FWRMNENNNUKJEX-UHFFFAOYSA-N 0 1 245.322 2.459 20 0 BEADMN COc1ccccc1C(=O)Cc1cn[nH]c1C ZINC001249888051 967129014 /nfs/dbraw/zinc/12/90/14/967129014.db2.gz QTYYUMOXBYROTD-UHFFFAOYSA-N 0 1 230.267 2.152 20 0 BEADMN COc1ccc(C(O)=Cc2conc2C)cc1 ZINC001249903764 967132528 /nfs/dbraw/zinc/13/25/28/967132528.db2.gz GIMROAWDVQXIBI-UHFFFAOYSA-N 0 1 231.251 2.417 20 0 BEADMN COc1ccc(C(O)=Cc2cnoc2)cc1 ZINC001249904046 967143206 /nfs/dbraw/zinc/14/32/06/967143206.db2.gz JRUPKRRUUDJKML-UHFFFAOYSA-N 0 1 217.224 2.109 20 0 BEADMN COc1ccc(CN2CC3CC(C3)C2)nc1C ZINC001249913535 967150065 /nfs/dbraw/zinc/15/00/65/967150065.db2.gz DCUZVWWKILDYDC-UHFFFAOYSA-N 0 1 232.327 2.240 20 0 BEADMN CCC(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC001249923057 967166586 /nfs/dbraw/zinc/16/65/86/967166586.db2.gz LHRNQEKQXRXZDQ-UHFFFAOYSA-N 0 1 202.257 2.393 20 0 BEADMN CN(C)c1cc(F)cc(CN2CC=CC2)c1 ZINC001249944472 967188089 /nfs/dbraw/zinc/18/80/89/967188089.db2.gz ZNRFKGIAFPAAAC-UHFFFAOYSA-N 0 1 220.291 2.264 20 0 BEADMN OCc1cc(Nc2c(O)cccc2F)ccn1 ZINC001249988565 967235658 /nfs/dbraw/zinc/23/56/58/967235658.db2.gz DKKTXQDZRRFUDK-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN COCCOCc1cc2cn[nH]c2cc1C ZINC001250003133 967263238 /nfs/dbraw/zinc/26/32/38/967263238.db2.gz LQQFMKMEKNWDJM-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN CCOc1cc(CN2CC[C@@H]2C)ccn1 ZINC001250003783 967263511 /nfs/dbraw/zinc/26/35/11/967263511.db2.gz ZQGVPNGXBMRGFI-JTQLQIEISA-N 0 1 206.289 2.075 20 0 BEADMN CC(C)N(CC1CC1)C(=O)c1ccncc1O ZINC000162997897 967267946 /nfs/dbraw/zinc/26/79/46/967267946.db2.gz OMYWQLDHVWXMOJ-UHFFFAOYSA-N 0 1 234.299 2.048 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001205112193 967357972 /nfs/dbraw/zinc/35/79/72/967357972.db2.gz YYVRWLHCKVOHKI-VXGBXAGGSA-N 0 1 221.348 2.288 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001205112191 967359886 /nfs/dbraw/zinc/35/98/86/967359886.db2.gz YYVRWLHCKVOHKI-NWDGAFQWSA-N 0 1 221.348 2.288 20 0 BEADMN Cn1ccnc1CN1CCC2(CC(F)C2)CC1 ZINC001205111677 967360611 /nfs/dbraw/zinc/36/06/11/967360611.db2.gz KHGKFNZSBOGNRT-UHFFFAOYSA-N 0 1 237.322 2.134 20 0 BEADMN Cc1nc2c(cncc2-c2c(C)nn(C)c2C)[nH]1 ZINC001240145128 967370524 /nfs/dbraw/zinc/37/05/24/967370524.db2.gz NWWDCOIVJPEGGE-UHFFFAOYSA-N 0 1 241.298 2.284 20 0 BEADMN Cc1nc2c[nH]cc(-c3c(C)nn(C)c3C)c-2n1 ZINC001240145128 967370533 /nfs/dbraw/zinc/37/05/33/967370533.db2.gz NWWDCOIVJPEGGE-UHFFFAOYSA-N 0 1 241.298 2.284 20 0 BEADMN c1ncn2cc(C[C@H]3CCCO3)ccc12 ZINC001250105235 967382136 /nfs/dbraw/zinc/38/21/36/967382136.db2.gz ORYOSOWTBVCPFR-GFCCVEGCSA-N 0 1 202.257 2.056 20 0 BEADMN Nc1cncn1-c1ccc(Cl)c(F)c1F ZINC001250109699 967388810 /nfs/dbraw/zinc/38/88/10/967388810.db2.gz QQUQMTWZLBBBEZ-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN Cn1ccnc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001205138135 967389281 /nfs/dbraw/zinc/38/92/81/967389281.db2.gz XPDJBPGEFKFPNZ-OLZOCXBDSA-N 0 1 233.359 2.432 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1cc2c(nn1)CNC2 ZINC001168696399 967414254 /nfs/dbraw/zinc/41/42/54/967414254.db2.gz SOYIUZVKAAXLSH-ZJUUUORDSA-N 0 1 234.347 2.316 20 0 BEADMN CC(=O)CN(C)Cc1cccc2[nH]ccc21 ZINC001205255942 967445771 /nfs/dbraw/zinc/44/57/71/967445771.db2.gz LRWPZLXOGULPOV-UHFFFAOYSA-N 0 1 216.284 2.189 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000095162560 967547781 /nfs/dbraw/zinc/54/77/81/967547781.db2.gz SGALAEBMZLQMAZ-JTQLQIEISA-N 0 1 245.330 2.097 20 0 BEADMN Cc1cc2[nH]ncc2cc1CCCCCC(N)=O ZINC001250270482 967595033 /nfs/dbraw/zinc/59/50/33/967595033.db2.gz DWLGRGDBMBNLET-UHFFFAOYSA-N 0 1 245.326 2.460 20 0 BEADMN CCn1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)cn1 ZINC001205524893 967659104 /nfs/dbraw/zinc/65/91/04/967659104.db2.gz FAERSGPVGMZBES-AWEZNQCLSA-N 0 1 249.358 2.048 20 0 BEADMN CCn1cc(CN2CC[C@]3(C2)CCCCO3)cn1 ZINC001205524893 967659126 /nfs/dbraw/zinc/65/91/26/967659126.db2.gz FAERSGPVGMZBES-AWEZNQCLSA-N 0 1 249.358 2.048 20 0 BEADMN CCn1cc(CN2CCC[C@H](C(F)F)C2)cn1 ZINC001205538238 967678933 /nfs/dbraw/zinc/67/89/33/967678933.db2.gz GQWBHYJPBMAIPG-NSHDSACASA-N 0 1 243.301 2.380 20 0 BEADMN c1ncn2cc(Cc3ccncc3)ccc12 ZINC001250315816 967680704 /nfs/dbraw/zinc/68/07/04/967680704.db2.gz RTXRUQYAAVUWSG-UHFFFAOYSA-N 0 1 209.252 2.320 20 0 BEADMN COc1cccnc1Nc1ccc2cncn2c1 ZINC001250324366 967706575 /nfs/dbraw/zinc/70/65/75/967706575.db2.gz RSOCFEDTKVYANC-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN COc1cc(Nc2ccc3cncn3c2)ccn1 ZINC001250324360 967707956 /nfs/dbraw/zinc/70/79/56/967707956.db2.gz RMNCSWVXVDYPBQ-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN COc1ccncc1Nc1ccc2cncn2c1 ZINC001250327408 967711215 /nfs/dbraw/zinc/71/12/15/967711215.db2.gz VNYLBXMLABSXFL-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN Cc1c[nH]c(=O)cc1Nc1ccc2cncn2c1 ZINC001250326961 967713733 /nfs/dbraw/zinc/71/37/33/967713733.db2.gz DHMNGCQBSCFYLD-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN Cc1nnc(Cc2cc(Cl)c(O)cc2F)o1 ZINC001250342101 967731316 /nfs/dbraw/zinc/73/13/16/967731316.db2.gz SEJHYIKOSTXTMC-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN Cc1[nH]nc2ccc(Cc3ncccn3)cc21 ZINC001250344116 967740193 /nfs/dbraw/zinc/74/01/93/967740193.db2.gz WNFTYUWOOIIJCP-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])n1 ZINC000235669552 967766569 /nfs/dbraw/zinc/76/65/69/967766569.db2.gz KWGHGCCVWLYLAK-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN CCCOC1CCN(Cc2cnoc2)CC1 ZINC001205696768 967781621 /nfs/dbraw/zinc/78/16/21/967781621.db2.gz GYWHDAPVNOCYIA-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN Cc1cc(CN2CC(Cc3ccccc3)C2)n[nH]1 ZINC001117814895 967800903 /nfs/dbraw/zinc/80/09/03/967800903.db2.gz OEUKIDVVXYPWLP-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCc1cccc(F)c1 ZINC000258956315 967804356 /nfs/dbraw/zinc/80/43/56/967804356.db2.gz VIPJLCBTTZRUQQ-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000701567802 967815336 /nfs/dbraw/zinc/81/53/36/967815336.db2.gz LRHFFGFAXYEPOD-OKWIKPQFSA-N 0 1 249.354 2.219 20 0 BEADMN CCN(CCCC1CCC1)CC(=O)OC ZINC000701569742 967816128 /nfs/dbraw/zinc/81/61/28/967816128.db2.gz XKXSOSZVWFSBNG-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(=O)Nc1ccc2nc(C3CC3)[nH]c2c1 ZINC001250426880 967843442 /nfs/dbraw/zinc/84/34/42/967843442.db2.gz GHWDATAYSSFSFV-UHFFFAOYSA-N 0 1 215.256 2.399 20 0 BEADMN Cc1c2[nH]c([C@@H]3CCC(=O)N3)nc2ccc1Cl ZINC001250432082 967849948 /nfs/dbraw/zinc/84/99/48/967849948.db2.gz XWJFOPKURVBNAV-VIFPVBQESA-N 0 1 249.701 2.476 20 0 BEADMN CSc1ccc2nc([C@H]3CCC(=O)N3)[nH]c2c1 ZINC001250435357 967854483 /nfs/dbraw/zinc/85/44/83/967854483.db2.gz VJTQIDJPOHJFDL-SECBINFHSA-N 0 1 247.323 2.236 20 0 BEADMN Cc1cc2[nH]ncc2cc1Cc1ccnn1C ZINC001250437420 967857108 /nfs/dbraw/zinc/85/71/08/967857108.db2.gz LMKCBIPZSBISKC-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN Cc1cnc(NC[C@H](O)c2ccncc2)cc1C ZINC001162547364 967861912 /nfs/dbraw/zinc/86/19/12/967861912.db2.gz FZPRIECCRKIMCK-ZDUSSCGKSA-N 0 1 243.310 2.239 20 0 BEADMN Cc1cnccc1CN1CCOC[C@@H]1C(C)C ZINC001205862833 967862393 /nfs/dbraw/zinc/86/23/93/967862393.db2.gz OFKHXKHDLBOIJY-CQSZACIVSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C[C@H]1C ZINC001205881481 967871315 /nfs/dbraw/zinc/87/13/15/967871315.db2.gz FAYMBECNLZGEJT-BXUZGUMPSA-N 0 1 249.358 2.075 20 0 BEADMN CO[C@@H]1CCN(Cc2cn(C3CC3)cn2)C[C@H]1C ZINC001205881481 967871316 /nfs/dbraw/zinc/87/13/16/967871316.db2.gz FAYMBECNLZGEJT-BXUZGUMPSA-N 0 1 249.358 2.075 20 0 BEADMN COc1cc(Cl)cc2[nH]c(-c3c[nH]nn3)nc21 ZINC001250445609 967872335 /nfs/dbraw/zinc/87/23/35/967872335.db2.gz MAHPWSYIORPLER-UHFFFAOYSA-N 0 1 249.661 2.010 20 0 BEADMN Cc1cc2nc(-c3ncc[nH]3)[nH]c2cc1F ZINC001250469604 967892859 /nfs/dbraw/zinc/89/28/59/967892859.db2.gz IHXGVYISZWYICO-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCC4)c1 ZINC001250470029 967893511 /nfs/dbraw/zinc/89/35/11/967893511.db2.gz NMIWZHLLMOACFS-UHFFFAOYSA-N 0 1 225.251 2.493 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302433014 967915013 /nfs/dbraw/zinc/91/50/13/967915013.db2.gz ACOQSRSLMSADHZ-GRYCIOLGSA-N 0 1 248.326 2.185 20 0 BEADMN c1cc2nccc(-c3ccc4cncn4c3)n2n1 ZINC001250481596 967931116 /nfs/dbraw/zinc/93/11/16/967931116.db2.gz DWPPMIHCBJFLHH-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Cc1cnc(-c2cc(F)c(O)cc2F)nc1 ZINC001250496245 967976093 /nfs/dbraw/zinc/97/60/93/967976093.db2.gz IZPMTQNKXAWBSH-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN COc1ccc2nc(-c3nc[nH]c3C)[nH]c2c1 ZINC001250499172 967988969 /nfs/dbraw/zinc/98/89/69/967988969.db2.gz YHSGTZQCAIENEB-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN COc1cccc2[nH]c(-c3[nH]cnc3C)nc21 ZINC001250498967 967989510 /nfs/dbraw/zinc/98/95/10/967989510.db2.gz UZKNKCZLJVSFBX-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN Cc1cc2nc(-c3nccn3C)[nH]c2cc1F ZINC001250501106 967990378 /nfs/dbraw/zinc/99/03/78/967990378.db2.gz JIIMMZWMKUABJI-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2nc(-c3cnn(C)c3)[nH]c2cc1F ZINC001250502456 967998082 /nfs/dbraw/zinc/99/80/82/967998082.db2.gz YOZAHRINDFGIIS-UHFFFAOYSA-N 0 1 246.245 2.111 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ccn(C)n3)nc21 ZINC001250511261 968012071 /nfs/dbraw/zinc/01/20/71/968012071.db2.gz GRKMLFDAFGQVIK-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1ccc(-c2cc(F)c(O)cc2F)nn1 ZINC001250522020 968028358 /nfs/dbraw/zinc/02/83/58/968028358.db2.gz STLCBJNQGNCZOR-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1nc(C[N@H+]2CC3CCC2CC3)co1 ZINC001206074370 968043771 /nfs/dbraw/zinc/04/37/71/968043771.db2.gz PLUPZUWMBQDWQQ-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1nc(CN2CC3CCC2CC3)co1 ZINC001206074370 968043779 /nfs/dbraw/zinc/04/37/79/968043779.db2.gz PLUPZUWMBQDWQQ-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN COc1cc2[nH]c(C(OC)OC)nc2cc1C ZINC001250540979 968048229 /nfs/dbraw/zinc/04/82/29/968048229.db2.gz XDQXEIFJXBVDKI-UHFFFAOYSA-N 0 1 236.271 2.171 20 0 BEADMN COC(=O)[C@@H](C)c1nc2ccc(C)c(C)c2[nH]1 ZINC001250576915 968096434 /nfs/dbraw/zinc/09/64/34/968096434.db2.gz HXGUNWAWVDUNAY-VIFPVBQESA-N 0 1 232.283 2.456 20 0 BEADMN COC(=O)[C@H](C)c1nc2cc(C)c(OC)cc2[nH]1 ZINC001250577608 968101862 /nfs/dbraw/zinc/10/18/62/968101862.db2.gz UOVODXJQQCCDGW-MRVPVSSYSA-N 0 1 248.282 2.156 20 0 BEADMN Cc1cc(O)cc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001206196252 968124797 /nfs/dbraw/zinc/12/47/97/968124797.db2.gz NRRCSPYJKYNNFY-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN COCc1nc2cc(F)c(-n3ccnc3)cc2[nH]1 ZINC001250602734 968145968 /nfs/dbraw/zinc/14/59/68/968145968.db2.gz LAWCWCOZMPNQLC-UHFFFAOYSA-N 0 1 246.245 2.034 20 0 BEADMN COCc1nc2c([nH]1)c(F)c(F)cc2F ZINC001250603277 968147058 /nfs/dbraw/zinc/14/70/58/968147058.db2.gz PNIRQVVHAZYRIR-UHFFFAOYSA-N 0 1 216.162 2.127 20 0 BEADMN COCCCc1nc2cc3c(cc2[nH]1)OCC3 ZINC001250603350 968148439 /nfs/dbraw/zinc/14/84/39/968148439.db2.gz QNLBRVJJZFXZGD-UHFFFAOYSA-N 0 1 232.283 2.077 20 0 BEADMN Cc1ccc2nc(CN3CCOCC3)[nH]c2c1C ZINC001250607364 968154813 /nfs/dbraw/zinc/15/48/13/968154813.db2.gz XRHVLRRGESNKNF-UHFFFAOYSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1nonc1CNc1nccc(C)c1C ZINC001164054862 968167392 /nfs/dbraw/zinc/16/73/92/968167392.db2.gz WOBHTTYOSSHZIF-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN CCOc1ccc2nc(-c3cncnc3)[nH]c2c1 ZINC001250663848 968193714 /nfs/dbraw/zinc/19/37/14/968193714.db2.gz FENSWGAIUOBRSI-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1c[nH]c(-c2nc3ccc(N(C)C)cc3[nH]2)n1 ZINC001250735584 968199171 /nfs/dbraw/zinc/19/91/71/968199171.db2.gz LRUXADDBTYMDPU-UHFFFAOYSA-N 0 1 241.298 2.327 20 0 BEADMN CNc1nccc(-c2nc3cccc(C)c3[nH]2)n1 ZINC001250835452 968207536 /nfs/dbraw/zinc/20/75/36/968207536.db2.gz MRUFTHCKERUZEQ-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN c1coc(-c2nc3cc4c(cc3[nH]2)OCC4)n1 ZINC001250923731 968217812 /nfs/dbraw/zinc/21/78/12/968217812.db2.gz DSKUIZSXXLJSHU-UHFFFAOYSA-N 0 1 227.223 2.153 20 0 BEADMN Cc1ncoc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250928273 968218248 /nfs/dbraw/zinc/21/82/48/968218248.db2.gz HOXLCHIYXGONEK-UHFFFAOYSA-N 0 1 241.250 2.461 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC(F)(F)C1 ZINC000397029671 968238159 /nfs/dbraw/zinc/23/81/59/968238159.db2.gz APZBGAUWCBFMGU-SCZZXKLOSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1(C)CCC1 ZINC000397060651 968240848 /nfs/dbraw/zinc/24/08/48/968240848.db2.gz WWQKWZIJDPNZAN-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc(CO)cs1 ZINC001206343660 968248863 /nfs/dbraw/zinc/24/88/63/968248863.db2.gz RYFALRLJKONKKV-KXUCPTDWSA-N 0 1 240.372 2.112 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397120120 968249415 /nfs/dbraw/zinc/24/94/15/968249415.db2.gz SPQJFSANENZRFF-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ccc(=O)[nH]n3)nc21 ZINC001251061226 968254847 /nfs/dbraw/zinc/25/48/47/968254847.db2.gz ZGUAXPZMEUPWLI-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CC(C)SCC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000398737179 968276808 /nfs/dbraw/zinc/27/68/08/968276808.db2.gz XPUCZQPEAXFAFK-GHMZBOCLSA-N 0 1 245.388 2.171 20 0 BEADMN Cc1cc(C)nc(N2CCCC(=O)CC2)c1 ZINC001165462676 968290357 /nfs/dbraw/zinc/29/03/57/968290357.db2.gz BGIWVFKTCAUDBF-UHFFFAOYSA-N 0 1 218.300 2.258 20 0 BEADMN COc1ncc(CN2C3CCCC2CCC3)cn1 ZINC001206426340 968300162 /nfs/dbraw/zinc/30/01/62/968300162.db2.gz ONDCKYQTAGWWII-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN CCN(Cc1ccncc1OC)C1CC1 ZINC001206438231 968304134 /nfs/dbraw/zinc/30/41/34/968304134.db2.gz NDJFBCXSLXJVDK-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN COc1cnccc1CN1CCCCC1 ZINC001206437929 968304903 /nfs/dbraw/zinc/30/49/03/968304903.db2.gz GOZGLKKEHNZGSZ-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H]1CC=CCC1)C1CC1 ZINC000402226430 968306815 /nfs/dbraw/zinc/30/68/15/968306815.db2.gz VTSKSMWWNRYQLO-QWRGUYRKSA-N 0 1 223.316 2.280 20 0 BEADMN COc1cc2nc(-c3nonc3C)[nH]c2cc1F ZINC001251802501 968339766 /nfs/dbraw/zinc/33/97/66/968339766.db2.gz NGOYPYMGTSHBJI-UHFFFAOYSA-N 0 1 248.217 2.069 20 0 BEADMN Cc1nc2cnc(N3CCC[C@@H](C)[C@@H]3C)nc2[nH]1 ZINC001166612785 968348951 /nfs/dbraw/zinc/34/89/51/968348951.db2.gz QEAPTTQLUICVBM-BDAKNGLRSA-N 0 1 245.330 2.238 20 0 BEADMN C[C@H](O)CN[C@@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC001251971311 968411554 /nfs/dbraw/zinc/41/15/54/968411554.db2.gz AVJVZYJTXDTOEU-QWRGUYRKSA-N 0 1 245.326 2.108 20 0 BEADMN COc1cccnc1C[N@H+]1CCC[C@@H](C)C1 ZINC001206611475 968419370 /nfs/dbraw/zinc/41/93/70/968419370.db2.gz WPRHYOIMKHZDBE-LLVKDONJSA-N 0 1 220.316 2.322 20 0 BEADMN CSc1cc(NC[C@H](O)c2ccccc2)[nH]n1 ZINC001251979910 968420682 /nfs/dbraw/zinc/42/06/82/968420682.db2.gz KIVHMEXDNCTYSB-JTQLQIEISA-N 0 1 249.339 2.277 20 0 BEADMN O[C@@H](CN1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1 ZINC001251984329 968425184 /nfs/dbraw/zinc/42/51/84/968425184.db2.gz FSRYOAAPAMEZTB-XUXIUFHCSA-N 0 1 235.302 2.010 20 0 BEADMN COc1cccnc1CN(C)C(C)(C)C ZINC001206636947 968426900 /nfs/dbraw/zinc/42/69/00/968426900.db2.gz JZODGHIYMISNDY-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN O=C([O-])c1cc(C[N@@H+](C2CC2)C2CCCC2)[nH]n1 ZINC001119606926 968430270 /nfs/dbraw/zinc/43/02/70/968430270.db2.gz PGPQWNFXTBAWFR-UHFFFAOYSA-N 0 1 249.314 2.015 20 0 BEADMN C[C@H](NC[C@H](O)c1ccccc1)c1ccno1 ZINC001252016204 968438654 /nfs/dbraw/zinc/43/86/54/968438654.db2.gz WLADORYEQKMTCI-JQWIXIFHSA-N 0 1 232.283 2.059 20 0 BEADMN COc1nccc(-c2cc(F)c(O)cc2F)n1 ZINC001206756284 968458017 /nfs/dbraw/zinc/45/80/17/968458017.db2.gz ZPZSAGUJHYWTGV-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Fc1cnccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001206783451 968468906 /nfs/dbraw/zinc/46/89/06/968468906.db2.gz BHSRFTDRCMDMHS-JBLDHEPKSA-N 0 1 224.254 2.011 20 0 BEADMN Cc1ncc(CN2CCCCC23CC3)n1C ZINC001206795121 968476627 /nfs/dbraw/zinc/47/66/27/968476627.db2.gz NIENELCUFUXFJP-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccn2)C[C@@H]1C ZINC001207010131 968544822 /nfs/dbraw/zinc/54/48/22/968544822.db2.gz JKKYIGHVMKTUAB-NEPJUHHUSA-N 0 1 219.332 2.345 20 0 BEADMN c1cnc(CN2CC[C@@H]3CCC[C@@H]3C2)nc1 ZINC001207011332 968548904 /nfs/dbraw/zinc/54/89/04/968548904.db2.gz FUBKIQPIDUTYET-NWDGAFQWSA-N 0 1 217.316 2.099 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1c(C)noc1CC ZINC000823576080 968549127 /nfs/dbraw/zinc/54/91/27/968549127.db2.gz DISUNQVZFYMLMQ-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN Fc1cncc(CN2CCCC23CC3)c1 ZINC001207016553 968554056 /nfs/dbraw/zinc/55/40/56/968554056.db2.gz AUXIWNNLYRZCSC-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN Cc1ncc(CN2CC[C@@]3(CCCO3)C2)s1 ZINC001207059088 968585145 /nfs/dbraw/zinc/58/51/45/968585145.db2.gz UFAAJIVTBCJGAJ-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN CCCC[C@@H](O)CNCc1nc2ccccc2[nH]1 ZINC001252106556 968589106 /nfs/dbraw/zinc/58/91/06/968589106.db2.gz NRKVNGFNZZPYHO-LLVKDONJSA-N 0 1 247.342 2.204 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cnc(C)s2)C1 ZINC001207060496 968591152 /nfs/dbraw/zinc/59/11/52/968591152.db2.gz OKARDKQVGVYPNE-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCCC[C@@H](O)CN[C@@H](C)c1nccs1 ZINC001252112037 968596242 /nfs/dbraw/zinc/59/62/42/968596242.db2.gz HZHAZWMJFYRPKY-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN CCCC[C@@H](O)CNCc1ncc(C)s1 ZINC001252119012 968602417 /nfs/dbraw/zinc/60/24/17/968602417.db2.gz QGKYEVODMHQDKT-SNVBAGLBSA-N 0 1 228.361 2.092 20 0 BEADMN CCCC[C@H](O)CNCc1noc2ccccc12 ZINC001252117523 968602642 /nfs/dbraw/zinc/60/26/42/968602642.db2.gz FABVIXMZHIWJTF-NSHDSACASA-N 0 1 248.326 2.469 20 0 BEADMN O=c1cccc(CN2CC[C@]3(CC3(F)F)C2)[nH]1 ZINC001207072207 968604702 /nfs/dbraw/zinc/60/47/02/968604702.db2.gz XZVJWXSHDLOGSM-NSHDSACASA-N 0 1 240.253 2.018 20 0 BEADMN Cc1cnc(C[N@@H+](CC2CC2)C2CC2)cn1 ZINC001207080566 968613267 /nfs/dbraw/zinc/61/32/67/968613267.db2.gz RXUDIIXVLIRBPV-UHFFFAOYSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1cnc(CN2CC3CCC2CC3)cn1 ZINC001207078658 968613513 /nfs/dbraw/zinc/61/35/13/968613513.db2.gz MYQKIJRUVGWVKF-UHFFFAOYSA-N 0 1 217.316 2.159 20 0 BEADMN CCc1nccc(CN2CC[C@@](C)(CF)C2)n1 ZINC001207085216 968616389 /nfs/dbraw/zinc/61/63/89/968616389.db2.gz WEKARVWEUDLBKN-ZDUSSCGKSA-N 0 1 237.322 2.221 20 0 BEADMN CCc1nccc(CN2CC[C@@H](OC)C[C@H]2C)n1 ZINC001207090950 968621942 /nfs/dbraw/zinc/62/19/42/968621942.db2.gz MIYWZDUXOQHBOL-DGCLKSJQSA-N 0 1 249.358 2.038 20 0 BEADMN CCc1nccc(CN2CC[C@@H](OC)C[C@@H]2C)n1 ZINC001207090951 968623091 /nfs/dbraw/zinc/62/30/91/968623091.db2.gz MIYWZDUXOQHBOL-WCQYABFASA-N 0 1 249.358 2.038 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2ncco2)cn1 ZINC000825191328 968635266 /nfs/dbraw/zinc/63/52/66/968635266.db2.gz ZHBOZHWAGQDCMV-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN CC(C)(O)CNCc1c(F)cc(Cl)cc1F ZINC001252366404 968645201 /nfs/dbraw/zinc/64/52/01/968645201.db2.gz FSBRBXGAVRMXAO-UHFFFAOYSA-N 0 1 249.688 2.479 20 0 BEADMN Cc1cncc(CN2CC3(C2)CCOCC3)c1 ZINC001207157022 968666663 /nfs/dbraw/zinc/66/66/63/968666663.db2.gz RIBVSOLOUPOFKV-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN F[C@H]1CN(CCOCc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001207230895 968688173 /nfs/dbraw/zinc/68/81/73/968688173.db2.gz IBJXBACYAJLZAU-KKUMJFAQSA-N 0 1 249.329 2.493 20 0 BEADMN F[C@@H]1CN(CCOCc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001207230896 968689030 /nfs/dbraw/zinc/68/90/30/968689030.db2.gz IBJXBACYAJLZAU-SOUVJXGZSA-N 0 1 249.329 2.493 20 0 BEADMN CC1=CC[C@@H](CCN2CC(C)(O)C2)C1(C)C ZINC001207267260 968701363 /nfs/dbraw/zinc/70/13/63/968701363.db2.gz CWERTSVGRGSRGA-LBPRGKRZSA-N 0 1 223.360 2.436 20 0 BEADMN N#CN1CCN(CCC2CCCCC2)CC1 ZINC001207260096 968704029 /nfs/dbraw/zinc/70/40/29/968704029.db2.gz QDLWKYHTPOBVGR-UHFFFAOYSA-N 0 1 221.348 2.055 20 0 BEADMN CC(=O)N(C)C[C@@H]1CCN1Cc1cccc(C)c1 ZINC001085444860 968706556 /nfs/dbraw/zinc/70/65/56/968706556.db2.gz RAEUGBVISLAKDF-HNNXBMFYSA-N 0 1 246.354 2.048 20 0 BEADMN CCCn1cncc1CN1CCC(F)CC1 ZINC001207315820 968724654 /nfs/dbraw/zinc/72/46/54/968724654.db2.gz UJZNMEVOBAZPLU-UHFFFAOYSA-N 0 1 225.311 2.227 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085467745 968743912 /nfs/dbraw/zinc/74/39/12/968743912.db2.gz ZYXQNGQDYVXHHO-AWEZNQCLSA-N 0 1 246.354 2.161 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cc(C)nn1C ZINC001240858980 968772226 /nfs/dbraw/zinc/77/22/26/968772226.db2.gz ZGHIXEOTILSEFU-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN c1ccc(OC2CN(C[C@H]3CCCOC3)C2)cc1 ZINC001207468933 968789927 /nfs/dbraw/zinc/78/99/27/968789927.db2.gz QYXWJQGCPPSKQQ-CYBMUJFWSA-N 0 1 247.338 2.176 20 0 BEADMN c1ccc(OC2CN(C[C@@H]3CCCOC3)C2)cc1 ZINC001207468934 968790410 /nfs/dbraw/zinc/79/04/10/968790410.db2.gz QYXWJQGCPPSKQQ-ZDUSSCGKSA-N 0 1 247.338 2.176 20 0 BEADMN CC1(C)CN(CCc2ccc(F)cc2)CCO1 ZINC001207511279 968811815 /nfs/dbraw/zinc/81/18/15/968811815.db2.gz KIOXYJHSVXJGFS-UHFFFAOYSA-N 0 1 237.318 2.479 20 0 BEADMN Fc1ccc(CCN2CCn3cncc3C2)cc1 ZINC001207515006 968815558 /nfs/dbraw/zinc/81/55/58/968815558.db2.gz HDZJFZJEJYCLJY-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CN(CCCCc1ccccc1)C1COC1 ZINC001207609865 968831256 /nfs/dbraw/zinc/83/12/56/968831256.db2.gz CLODJIAZDUTYOJ-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN C[C@H](CCCC(C)(C)O)CCN1CCOCC1 ZINC001207636234 968853106 /nfs/dbraw/zinc/85/31/06/968853106.db2.gz SPLYTQRAMGPSRJ-CYBMUJFWSA-N 0 1 243.391 2.286 20 0 BEADMN COc1cc(CN(C)C[C@@H]2C[C@H]2C)sn1 ZINC001207665116 968858907 /nfs/dbraw/zinc/85/89/07/968858907.db2.gz IFPBSXYPTUDMKA-BDAKNGLRSA-N 0 1 226.345 2.240 20 0 BEADMN C[C@H](CC1CCCC1)N[C@H](CO)c1ncc[nH]1 ZINC001207665712 968859188 /nfs/dbraw/zinc/85/91/88/968859188.db2.gz PPONEEIVAQORQD-ZYHUDNBSSA-N 0 1 237.347 2.002 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1CC1(c2ccccc2)CC1 ZINC001207829927 968893866 /nfs/dbraw/zinc/89/38/66/968893866.db2.gz AUICWUTYFJRDPT-KGLIPLIRSA-N 0 1 249.329 2.123 20 0 BEADMN c1ccc(C2(CN3C[C@@H]4C[C@H]3CO4)CC2)cc1 ZINC001207838794 968897532 /nfs/dbraw/zinc/89/75/32/968897532.db2.gz SENJHPHVPQRKSE-KBPBESRZSA-N 0 1 229.323 2.191 20 0 BEADMN CCCN(CCC)c1ncc2nc(C)[nH]c2n1 ZINC001155182016 968919269 /nfs/dbraw/zinc/91/92/69/968919269.db2.gz CBTDYZGOJYQUSN-UHFFFAOYSA-N 0 1 233.319 2.239 20 0 BEADMN CO[C@@H]1CN(C[C@H](C)c2ccccc2)C[C@@H]1F ZINC001207900211 968925674 /nfs/dbraw/zinc/92/56/74/968925674.db2.gz YEOPFZIHSBBQLE-FPMFFAJLSA-N 0 1 237.318 2.459 20 0 BEADMN C[C@@H](CN1C[C@H]2C[C@@H](C1)O2)c1ccccc1 ZINC001207910879 968929322 /nfs/dbraw/zinc/92/93/22/968929322.db2.gz ZZZKSORYVUMPPK-FPMFFAJLSA-N 0 1 217.312 2.263 20 0 BEADMN CC(=O)CN(C)CCCc1ccc(C)o1 ZINC001207943320 968939730 /nfs/dbraw/zinc/93/97/30/968939730.db2.gz FXHVRHAZAICDJS-UHFFFAOYSA-N 0 1 209.289 2.041 20 0 BEADMN c1cnc([C@H]2CCCN2C[C@H]2CCCCO2)cn1 ZINC001207957706 968952894 /nfs/dbraw/zinc/95/28/94/968952894.db2.gz XYKUXBHYDVJEJW-TZMCWYRMSA-N 0 1 247.342 2.183 20 0 BEADMN c1cc2c(o1)CCN(C[C@@H]1CCCCO1)C2 ZINC001207959476 968956262 /nfs/dbraw/zinc/95/62/62/968956262.db2.gz KRIRUKQUZIQKMX-LBPRGKRZSA-N 0 1 221.300 2.207 20 0 BEADMN c1cnc([C@H]2CCCN2C[C@@H]2CCCCO2)cn1 ZINC001207957703 968956520 /nfs/dbraw/zinc/95/65/20/968956520.db2.gz XYKUXBHYDVJEJW-GXTWGEPZSA-N 0 1 247.342 2.183 20 0 BEADMN COC(=O)c1cccc(C2=CCN(C)CC2)c1F ZINC001241322609 968975765 /nfs/dbraw/zinc/97/57/65/968975765.db2.gz QGQUOBVWFGXGDZ-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CCC[C@H](O)CNc1cccc2ncn(C)c21 ZINC001252796311 968977794 /nfs/dbraw/zinc/97/77/94/968977794.db2.gz CWSSAJNOEQWGIZ-JTQLQIEISA-N 0 1 233.315 2.146 20 0 BEADMN CC/C=C\CCCN1CC[C@](F)(C(=O)OC)C1 ZINC001208131639 969029009 /nfs/dbraw/zinc/02/90/09/969029009.db2.gz MQIWMDNEOISXMB-DSYXLKISSA-N 0 1 243.322 2.320 20 0 BEADMN CC/C=C\CCCN1CC[C@@H](O)[C@@H](F)C1 ZINC001208133449 969036381 /nfs/dbraw/zinc/03/63/81/969036381.db2.gz DERIMAHMUNXSQR-RRNNCXACSA-N 0 1 215.312 2.138 20 0 BEADMN COC(=O)[C@@]1(C)CCC[N@H+]1CC[C@H](C)SC ZINC001208137295 969045566 /nfs/dbraw/zinc/04/55/66/969045566.db2.gz DNQYDJKOIDBDBP-CMPLNLGQSA-N 0 1 245.388 2.156 20 0 BEADMN CN1CCC=C(c2ncc3ccc(F)cc3n2)C1 ZINC001241565296 969054191 /nfs/dbraw/zinc/05/41/91/969054191.db2.gz HQRRJTZOKPMJDJ-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CCN(CC)c1ncc(C2=CCCN(C)C2)cn1 ZINC001241569847 969058261 /nfs/dbraw/zinc/05/82/61/969058261.db2.gz AYQNGSTVVPZROT-UHFFFAOYSA-N 0 1 246.358 2.042 20 0 BEADMN C[N@H+]1CCC=C(c2ccccc2C(=O)[O-])C1 ZINC001241569431 969059188 /nfs/dbraw/zinc/05/91/88/969059188.db2.gz YYRMZVUUHMNUKP-UHFFFAOYSA-N 0 1 217.268 2.104 20 0 BEADMN COc1cnc(-c2ccc3c(c2)n[nH]c3C)nc1 ZINC001241637600 969078604 /nfs/dbraw/zinc/07/86/04/969078604.db2.gz VBQMLSGRRXERBN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(=O)OC1CN(C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001208174454 969107827 /nfs/dbraw/zinc/10/78/27/969107827.db2.gz KMPYTURTEKEHDD-DGCLKSJQSA-N 0 1 237.343 2.226 20 0 BEADMN Fc1cccc(CCN2CC3(C2)CCCOC3)c1 ZINC001208196034 969122485 /nfs/dbraw/zinc/12/24/85/969122485.db2.gz STQCUSNYSPWNPR-UHFFFAOYSA-N 0 1 249.329 2.481 20 0 BEADMN Fc1cccc(CCN2CC[C@]23CCOC3)c1 ZINC001208201901 969126503 /nfs/dbraw/zinc/12/65/03/969126503.db2.gz OTOOBUSXTNZQMX-CQSZACIVSA-N 0 1 235.302 2.233 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1cscn1 ZINC001241890323 969131862 /nfs/dbraw/zinc/13/18/62/969131862.db2.gz RMIKPHSPZVFQGZ-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CCOc1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001241942752 969151059 /nfs/dbraw/zinc/15/10/59/969151059.db2.gz UOEWWSQPNSMGPH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001241942752 969151067 /nfs/dbraw/zinc/15/10/67/969151067.db2.gz UOEWWSQPNSMGPH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1nnc(-c2c(O)ccc(F)c2F)o1 ZINC001253470815 969190150 /nfs/dbraw/zinc/19/01/50/969190150.db2.gz JUXMMYMTTQCDFD-UHFFFAOYSA-N 0 1 212.155 2.029 20 0 BEADMN F[C@H]1CN(CCC2CC2)CCC1(F)F ZINC001208679156 969191220 /nfs/dbraw/zinc/19/12/20/969191220.db2.gz LPTROCNWDHUWIF-VIFPVBQESA-N 0 1 207.239 2.466 20 0 BEADMN CCCCC[C@H](O)CNc1cc(OC)ccn1 ZINC001253520345 969197925 /nfs/dbraw/zinc/19/79/25/969197925.db2.gz JVVPEAINKARCED-NSHDSACASA-N 0 1 238.331 2.443 20 0 BEADMN CCCCC[C@H](O)CN1CCCC(=O)[C@H](C)C1 ZINC001253524746 969201881 /nfs/dbraw/zinc/20/18/81/969201881.db2.gz FSQXMNZAAZEMPU-OLZOCXBDSA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@@H](O)CN1CCCC(=O)[C@@H](C)C1 ZINC001253524747 969202709 /nfs/dbraw/zinc/20/27/09/969202709.db2.gz FSQXMNZAAZEMPU-QWHCGFSZSA-N 0 1 241.375 2.229 20 0 BEADMN CN1CCC(=Nc2nc3c(s2)CCC3)CC1 ZINC001208719863 969203765 /nfs/dbraw/zinc/20/37/65/969203765.db2.gz VPEJYPVGLDMVAO-UHFFFAOYSA-N 0 1 235.356 2.263 20 0 BEADMN CCCCC[C@@H](O)CN1CCC[C@@H](F)C1 ZINC001253532669 969205296 /nfs/dbraw/zinc/20/52/96/969205296.db2.gz LKRAMBRJOFOBJI-VXGBXAGGSA-N 0 1 217.328 2.362 20 0 BEADMN CC/C=C\CCN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001208726458 969214108 /nfs/dbraw/zinc/21/41/08/969214108.db2.gz WPKJRVNPUVNHQS-KBIXYVOKSA-N 0 1 215.312 2.138 20 0 BEADMN CCCCC[C@@H](O)CN1CCCC[C@@H]1C(C)=O ZINC001253539741 969215287 /nfs/dbraw/zinc/21/52/87/969215287.db2.gz ZDNJYPIKCNABRL-ZIAGYGMSSA-N 0 1 241.375 2.371 20 0 BEADMN CCCCC[C@@H](O)CN[C@@H](C)c1cc[nH]n1 ZINC001253553883 969226125 /nfs/dbraw/zinc/22/61/25/969226125.db2.gz MKCSHYWNBCYQKU-WDEREUQCSA-N 0 1 225.336 2.002 20 0 BEADMN CC(C)n1cc(NC2=CC[N@@H+](C)CC2)cn1 ZINC001208742122 969230974 /nfs/dbraw/zinc/23/09/74/969230974.db2.gz SFDPFDRZLIEKRF-UHFFFAOYSA-N 0 1 220.320 2.095 20 0 BEADMN c1ccc(C2CCN(CC3=NOCC3)CC2)nc1 ZINC001168860321 969237399 /nfs/dbraw/zinc/23/73/99/969237399.db2.gz XDGFQUDSFWOMAP-UHFFFAOYSA-N 0 1 245.326 2.037 20 0 BEADMN CN1CC=C(Nc2c(=O)cc[nH]c2Cl)CC1 ZINC001208802180 969245849 /nfs/dbraw/zinc/24/58/49/969245849.db2.gz IAUUIZXDDYTRFB-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN CC1(C)OCC(Nc2ccc3nc[nH]c3c2)CO1 ZINC001168907528 969264536 /nfs/dbraw/zinc/26/45/36/969264536.db2.gz YBIVIUAUYHVLAL-UHFFFAOYSA-N 0 1 247.298 2.126 20 0 BEADMN C[C@]1(F)CCN(C[C@H]2CCC=CO2)C[C@@H]1F ZINC001208876388 969267966 /nfs/dbraw/zinc/26/79/66/969267966.db2.gz GCTDFRVSLHXITM-WOPDTQHZSA-N 0 1 231.286 2.451 20 0 BEADMN Oc1cc(F)ccc1-c1ccc2[nH]nnc2c1 ZINC001242218194 969301872 /nfs/dbraw/zinc/30/18/72/969301872.db2.gz XHAUGYKWPIBPQI-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cccc2ncc(NC[C@@H](O)C(C)(C)C)n21 ZINC001253720414 969344827 /nfs/dbraw/zinc/34/48/27/969344827.db2.gz VYUJPUFSLQKTPU-LLVKDONJSA-N 0 1 247.342 2.462 20 0 BEADMN Cc1cn2cc(NC[C@H](O)C(C)C)ccc2n1 ZINC001253754346 969370794 /nfs/dbraw/zinc/37/07/94/969370794.db2.gz MEXBUILAYIEACL-LBPRGKRZSA-N 0 1 233.315 2.072 20 0 BEADMN C[C@@H]1CN(CCCc2cccnc2)CCCC1=O ZINC001209172476 969372628 /nfs/dbraw/zinc/37/26/28/969372628.db2.gz PRMOTOXDXRLDKD-CYBMUJFWSA-N 0 1 246.354 2.315 20 0 BEADMN FC(F)C1CN(CCCc2cccnc2)C1 ZINC001209181407 969374471 /nfs/dbraw/zinc/37/44/71/969374471.db2.gz YIRCDUNXQDKJPT-UHFFFAOYSA-N 0 1 226.270 2.211 20 0 BEADMN O=C1CCCN(CCCc2ccncc2)CC1 ZINC001209186416 969375429 /nfs/dbraw/zinc/37/54/29/969375429.db2.gz YITBTWQYKHAYGI-UHFFFAOYSA-N 0 1 232.327 2.069 20 0 BEADMN CC(=O)[C@H]1CCCCN1CCCc1ccncc1 ZINC001209189079 969379128 /nfs/dbraw/zinc/37/91/28/969379128.db2.gz LYMBAPQIXHKWSG-OAHLLOKOSA-N 0 1 246.354 2.458 20 0 BEADMN CC(C)[C@H](O)CNCc1c(F)ccc(F)c1F ZINC001253776819 969396754 /nfs/dbraw/zinc/39/67/54/969396754.db2.gz IIBVCOXAEIHJOK-LLVKDONJSA-N 0 1 247.260 2.210 20 0 BEADMN CN(CCc1cccs1)C1(C)COC1 ZINC001209227665 969413450 /nfs/dbraw/zinc/41/34/50/969413450.db2.gz UAUBSVMZPYGHHY-UHFFFAOYSA-N 0 1 211.330 2.011 20 0 BEADMN c1ccc2c(c1)CC(CN1C[C@H]3CC[C@@H]1CO3)C2 ZINC001209324243 969444050 /nfs/dbraw/zinc/44/40/50/969444050.db2.gz ZLVXIFYCOGDKER-HZPDHXFCSA-N 0 1 243.350 2.265 20 0 BEADMN C[C@@H]1CC(CN(C)Cc2ncccn2)C[C@@H](C)O1 ZINC001209380350 969453340 /nfs/dbraw/zinc/45/33/40/969453340.db2.gz WLIJCNGXTPPDFW-VXGBXAGGSA-N 0 1 249.358 2.112 20 0 BEADMN C[C@@H]1C[C@@H](CN2CC3(C2)CCCO3)C[C@H](C)O1 ZINC001209381754 969454778 /nfs/dbraw/zinc/45/47/78/969454778.db2.gz GRNIPRRPESEURW-CLLJXQQHSA-N 0 1 239.359 2.055 20 0 BEADMN CCCOC1CN(CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209389607 969459442 /nfs/dbraw/zinc/45/94/42/969459442.db2.gz VDWHOVFDVPTEFF-VXGBXAGGSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H](C)[C@H](Nc1nc(C)ccc1C)C(N)=O ZINC001169149671 969464743 /nfs/dbraw/zinc/46/47/43/969464743.db2.gz GSSNHXBYBSYGOB-KWQFWETISA-N 0 1 235.331 2.010 20 0 BEADMN Cc1cn(C)nc1CN[C@H](C)Cc1ccco1 ZINC000723523599 969502672 /nfs/dbraw/zinc/50/26/72/969502672.db2.gz BLSBKQWPWKIWDO-LLVKDONJSA-N 0 1 233.315 2.042 20 0 BEADMN c1cc2ccc(CN3CC4(COC4)C3)cc2[nH]1 ZINC001209507019 969529072 /nfs/dbraw/zinc/52/90/72/969529072.db2.gz COBCEFWLLBNQRL-UHFFFAOYSA-N 0 1 228.295 2.000 20 0 BEADMN CC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CN(C)C1 ZINC001209515781 969532507 /nfs/dbraw/zinc/53/25/07/969532507.db2.gz HSGGYOBSYKEWMD-UHFFFAOYSA-N 0 1 243.354 2.304 20 0 BEADMN NCc1nccn1C1CCC(F)(F)CC1 ZINC001254207273 969536731 /nfs/dbraw/zinc/53/67/31/969536731.db2.gz FMVRYXMEJADTOL-UHFFFAOYSA-N 0 1 215.247 2.092 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cncs1 ZINC001209549831 969538004 /nfs/dbraw/zinc/53/80/04/969538004.db2.gz NXXWRBQKDGWJJV-NRPADANISA-N 0 1 212.293 2.075 20 0 BEADMN c1cc(C2CCN(CC3=NOCC3)CC2)ccn1 ZINC001169253717 969544189 /nfs/dbraw/zinc/54/41/89/969544189.db2.gz ZRHQPFOANXDYEJ-UHFFFAOYSA-N 0 1 245.326 2.037 20 0 BEADMN CCOC(=O)CN(CC)C1CCC(F)(F)CC1 ZINC001254225908 969549061 /nfs/dbraw/zinc/54/90/61/969549061.db2.gz MDBMNSFTSJOEPU-UHFFFAOYSA-N 0 1 249.301 2.449 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)CCO3)n[nH]1 ZINC001254237567 969549906 /nfs/dbraw/zinc/54/99/06/969549906.db2.gz HKDLIOAILVIPTA-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)[nH]1 ZINC001209568094 969550935 /nfs/dbraw/zinc/55/09/35/969550935.db2.gz CNXYOYKYXSHYRD-TZMCWYRMSA-N 0 1 234.343 2.324 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(C)[nH]2)CC1 ZINC001209574218 969558644 /nfs/dbraw/zinc/55/86/44/969558644.db2.gz KEASBAYKDLSUQK-UHFFFAOYSA-N 0 1 220.316 2.124 20 0 BEADMN C[C@@H]1CCN1Cc1nn(C)c2ccccc12 ZINC001209578110 969563269 /nfs/dbraw/zinc/56/32/69/969563269.db2.gz DOLANILGRUIFNY-SNVBAGLBSA-N 0 1 215.300 2.168 20 0 BEADMN Cc1cc(Cl)ncc1CN(C)[C@H]1CCOC1 ZINC001209636948 969571225 /nfs/dbraw/zinc/57/12/25/969571225.db2.gz MDNHAHGRKFLZKA-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN Nc1ccncc1CN1CCc2ccsc2C1 ZINC001209734499 969597610 /nfs/dbraw/zinc/59/76/10/969597610.db2.gz RRGWQJDAOKGTAY-UHFFFAOYSA-N 0 1 245.351 2.114 20 0 BEADMN c1csc([C@H]2CCCN2[C@@H]2CCCOC2)n1 ZINC001254382820 969600910 /nfs/dbraw/zinc/60/09/10/969600910.db2.gz QLYHSHYSEAIFRH-GHMZBOCLSA-N 0 1 238.356 2.459 20 0 BEADMN Nc1nc2ccccc2n1-c1ncccc1F ZINC001209804809 969630012 /nfs/dbraw/zinc/63/00/12/969630012.db2.gz OLOYJVNQPFCEHG-UHFFFAOYSA-N 0 1 228.230 2.142 20 0 BEADMN c1ccc2c(c1)CCC(N1CC3(CCO3)C1)CC2 ZINC001254462137 969648941 /nfs/dbraw/zinc/64/89/41/969648941.db2.gz VGHPRQKLRVLNTM-UHFFFAOYSA-N 0 1 243.350 2.409 20 0 BEADMN Cn1nccc1Nc1ccc2nc[nH]c2c1 ZINC001209841560 969656164 /nfs/dbraw/zinc/65/61/64/969656164.db2.gz VFMROHDVNZFLGL-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cn1cc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209841564 969656767 /nfs/dbraw/zinc/65/67/67/969656767.db2.gz VNGAKCBPSMRAOK-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1cc(N)ncc1Nc1ncc(O)cc1C ZINC001209961680 969720175 /nfs/dbraw/zinc/72/01/75/969720175.db2.gz MGFKERIOAYVENC-UHFFFAOYSA-N 0 1 230.271 2.125 20 0 BEADMN CC(=O)c1cccc(Nc2cnc(N)cc2C)n1 ZINC001209965518 969724353 /nfs/dbraw/zinc/72/43/53/969724353.db2.gz DVLGAQLKJUGBLH-UHFFFAOYSA-N 0 1 242.282 2.313 20 0 BEADMN Cc1cc(N)ncc1Nc1ccn2nccc2c1 ZINC001209965320 969729785 /nfs/dbraw/zinc/72/97/85/969729785.db2.gz QOQPJTRTHPAFLU-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1cc(N)ncc1Nc1cn(CC2CC2)cn1 ZINC001209967083 969732468 /nfs/dbraw/zinc/73/24/68/969732468.db2.gz NDKWBMMHDQKPAY-UHFFFAOYSA-N 0 1 243.314 2.322 20 0 BEADMN COc1ccc(C)nc1Nc1cnc(N)cc1C ZINC001209965571 969733191 /nfs/dbraw/zinc/73/31/91/969733191.db2.gz VUMNLFIYWMWWSH-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(C)nc1Cl ZINC001209968062 969735638 /nfs/dbraw/zinc/73/56/38/969735638.db2.gz RDROSHUSTQKZTC-UHFFFAOYSA-N 0 1 249.705 2.468 20 0 BEADMN Cc1cc(N)ncc1Nc1ccccc1O ZINC001209970086 969742240 /nfs/dbraw/zinc/74/22/40/969742240.db2.gz UEPZRLGDBNGAQY-UHFFFAOYSA-N 0 1 215.256 2.421 20 0 BEADMN COc1nonc1Nc1cccc(C)c1F ZINC001210034921 969767646 /nfs/dbraw/zinc/76/76/46/969767646.db2.gz JLIMUHAIMMMFIT-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN Cc1ncn(-c2ccc3cnccc3c2)c1N ZINC001210046213 969776517 /nfs/dbraw/zinc/77/65/17/969776517.db2.gz BACDDVAGXMKIAJ-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1c[nH]ccc1=O ZINC001210101121 969801195 /nfs/dbraw/zinc/80/11/95/969801195.db2.gz FDXMCWRSLQNUEI-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN O=C1C[C@H]2C[C@H](N3Cc4ccncc4C3)C[C@H]2C1 ZINC001254954555 969838709 /nfs/dbraw/zinc/83/87/09/969838709.db2.gz REWMDXJBEZJBRE-IMRBUKKESA-N 0 1 242.322 2.155 20 0 BEADMN CC(=O)[C@@H]1CCCC[N@H+]1C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254962045 969841732 /nfs/dbraw/zinc/84/17/32/969841732.db2.gz ZWLIUDUMKSYAHN-JMSVASOKSA-N 0 1 249.354 2.188 20 0 BEADMN CO[C@@H](C)CNc1cnccc1/C=C/N(C)C ZINC001169778533 969843490 /nfs/dbraw/zinc/84/34/90/969843490.db2.gz SCFHILXPXDRVGJ-IOCXFXADSA-N 0 1 235.331 2.061 20 0 BEADMN CC(=O)c1ccc(Nc2c(C)ncn2C)cn1 ZINC001210272712 969845862 /nfs/dbraw/zinc/84/58/62/969845862.db2.gz MLVUDDTUGRNMMF-UHFFFAOYSA-N 0 1 230.271 2.070 20 0 BEADMN NCc1ncccc1NC1Cc2ccccc2C1 ZINC001255014848 969846916 /nfs/dbraw/zinc/84/69/16/969846916.db2.gz NPDGPMMCCTXBHQ-UHFFFAOYSA-N 0 1 239.322 2.120 20 0 BEADMN Cn1nncc1N=C1CCCCCCC1 ZINC001210448755 969890828 /nfs/dbraw/zinc/89/08/28/969890828.db2.gz SMEHSOQIGPPGGL-UHFFFAOYSA-N 0 1 206.293 2.465 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1cc(C)cnn1 ZINC001156509241 969907538 /nfs/dbraw/zinc/90/75/38/969907538.db2.gz LYTCTZKRAFOGGE-POHAHGRESA-N 0 1 235.287 2.052 20 0 BEADMN Nc1cc[nH+]c(-c2cccc(C(=O)[O-])c2F)c1 ZINC001242378127 969908572 /nfs/dbraw/zinc/90/85/72/969908572.db2.gz MNKIANGUFIIARC-UHFFFAOYSA-N 0 1 232.214 2.168 20 0 BEADMN CCc1nnc([C@@H]2CCCN2CC2CC2)o1 ZINC001255096585 969930227 /nfs/dbraw/zinc/93/02/27/969930227.db2.gz MFEQFXQCKCZCFA-JTQLQIEISA-N 0 1 221.304 2.179 20 0 BEADMN CCc1nnc(-c2cc(-c3ccccn3)n[nH]2)o1 ZINC001255114877 969940388 /nfs/dbraw/zinc/94/03/88/969940388.db2.gz WMWAKTDHXDVHTP-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN Cc1nonc1Nc1cccnc1OC(F)F ZINC001210621886 969983501 /nfs/dbraw/zinc/98/35/01/969983501.db2.gz FMUSWCBDEDKZBJ-UHFFFAOYSA-N 0 1 242.185 2.118 20 0 BEADMN Cc1nc[nH]c1-c1nnc(C2CCC2)o1 ZINC001255220885 970008863 /nfs/dbraw/zinc/00/88/63/970008863.db2.gz MJQGNZKMIVSZNV-UHFFFAOYSA-N 0 1 204.233 2.036 20 0 BEADMN CCc1[nH]ncc1-c1nnc(C2CCC2)o1 ZINC001255225313 970010421 /nfs/dbraw/zinc/01/04/21/970010421.db2.gz AGDYMODAGKRSOY-UHFFFAOYSA-N 0 1 218.260 2.290 20 0 BEADMN O=C(CN[C@@H]1CCSC1)c1ccc(F)cc1 ZINC001255268410 970019296 /nfs/dbraw/zinc/01/92/96/970019296.db2.gz IFXBJACOPUXJLQ-LLVKDONJSA-N 0 1 239.315 2.104 20 0 BEADMN O=c1[nH]cc(-c2cc3[nH]nnc3cc2F)cc1F ZINC001242615942 970020334 /nfs/dbraw/zinc/02/03/34/970020334.db2.gz VUEZRDKPCCUEJC-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN Cc1ccc(C2(N[C@@H]3CCSC3)COC2)cc1 ZINC001255271161 970023751 /nfs/dbraw/zinc/02/37/51/970023751.db2.gz UYDRTTQFIIGMGX-CYBMUJFWSA-N 0 1 249.379 2.316 20 0 BEADMN CC(C)n1cnc(CN[C@@H]2CCSC2)c1 ZINC001255275457 970027189 /nfs/dbraw/zinc/02/71/89/970027189.db2.gz KOADPJYAQSSMEV-SNVBAGLBSA-N 0 1 225.361 2.059 20 0 BEADMN COc1c(F)cc(F)cc1Nc1cncn1C ZINC001210866639 970059089 /nfs/dbraw/zinc/05/90/89/970059089.db2.gz VYEYDPVJXLDNRK-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1nnc(CN)n1C1CCC(C)(C)CC1 ZINC001255302729 970067601 /nfs/dbraw/zinc/06/76/01/970067601.db2.gz XMSWIXUBUJWZRA-UHFFFAOYSA-N 0 1 222.336 2.187 20 0 BEADMN CCCC[C@H](C)NCc1ncc(F)cn1 ZINC001255309639 970075287 /nfs/dbraw/zinc/07/52/87/970075287.db2.gz IWOMWJBVWOVDAJ-VIFPVBQESA-N 0 1 211.284 2.284 20 0 BEADMN CCCC[C@H](C)[NH2+]CCCC[P@](=O)([O-])O ZINC001255314289 970082049 /nfs/dbraw/zinc/08/20/49/970082049.db2.gz HDRNFERYEFGTER-JTQLQIEISA-N 0 1 237.280 2.113 20 0 BEADMN CCCOCCNc1cc(OCC)ccn1 ZINC001157086754 970086929 /nfs/dbraw/zinc/08/69/29/970086929.db2.gz MXPBBYXKHJPRSD-UHFFFAOYSA-N 0 1 224.304 2.319 20 0 BEADMN Nc1cncn1-c1ccccc1N1CCCCC1 ZINC001210960735 970090305 /nfs/dbraw/zinc/09/03/05/970090305.db2.gz PGIAUGZQWFMSPL-UHFFFAOYSA-N 0 1 242.326 2.445 20 0 BEADMN CCCC[C@H](C)N(CC)CC(=O)OCC ZINC001255331698 970111347 /nfs/dbraw/zinc/11/13/47/970111347.db2.gz CKWPIPSISIRUNM-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCCC(=O)N1CCN(CCC2CC2)CC1 ZINC001112622710 970125499 /nfs/dbraw/zinc/12/54/99/970125499.db2.gz YTNBUJZYVHODLV-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN COc1ccc(Nc2ccnc(CO)c2)c(C)n1 ZINC001211041170 970131456 /nfs/dbraw/zinc/13/14/56/970131456.db2.gz JFRKOXUZRYRMTH-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN CSc1ccc(-n2cncc2N)cc1F ZINC001211108358 970145781 /nfs/dbraw/zinc/14/57/81/970145781.db2.gz RIDOUDHTDLFPKQ-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN COC(=O)c1cc(C)cc(Nc2cncn2C)c1 ZINC001211174941 970166793 /nfs/dbraw/zinc/16/67/93/970166793.db2.gz JIBGAYUMYKEPSD-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN CC(C)CCC[C@@H](C)N1CC2(C1)CS(=O)C2 ZINC001170076982 970174691 /nfs/dbraw/zinc/17/46/91/970174691.db2.gz CXLGUAISKXSBBW-GFCCVEGCSA-N 0 1 243.416 2.266 20 0 BEADMN Cc1cc(Nc2cncn2C)n(C(C)C)n1 ZINC001211245681 970189132 /nfs/dbraw/zinc/18/91/32/970189132.db2.gz QNIRPBUTQOZZBY-UHFFFAOYSA-N 0 1 219.292 2.250 20 0 BEADMN CCc1ccc(Nc2cncn2C)cn1 ZINC001211247223 970194227 /nfs/dbraw/zinc/19/42/27/970194227.db2.gz OVHJIVBHRZJPQG-UHFFFAOYSA-N 0 1 202.261 2.121 20 0 BEADMN Cc1cc(Nc2cncn2C)n(CC2CC2)n1 ZINC001211247195 970194499 /nfs/dbraw/zinc/19/44/99/970194499.db2.gz MZEGPKKBEGZPHC-UHFFFAOYSA-N 0 1 231.303 2.079 20 0 BEADMN Cn1cncc1Nc1cc(Cl)cc(CO)c1 ZINC001211252063 970199128 /nfs/dbraw/zinc/19/91/28/970199128.db2.gz XSTIDYRJBPYJRU-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN C[C@@H](O)c1ccccc1Nc1cncn1C ZINC001211252218 970199403 /nfs/dbraw/zinc/19/94/03/970199403.db2.gz GBKLJIIAWMZXEE-SECBINFHSA-N 0 1 217.272 2.217 20 0 BEADMN Cc1cc(F)c(Nc2cncn2C)cc1O ZINC001211252085 970199442 /nfs/dbraw/zinc/19/94/42/970199442.db2.gz ZAKFLFXIDXHCCR-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Cc1c(Nc2cncn2C)ccc2c1OCCO2 ZINC001211253594 970200256 /nfs/dbraw/zinc/20/02/56/970200256.db2.gz KOOKSEKJGRNGHP-UHFFFAOYSA-N 0 1 245.282 2.243 20 0 BEADMN COc1cnccc1Nc1ccc2ocnc2c1 ZINC001211260117 970203071 /nfs/dbraw/zinc/20/30/71/970203071.db2.gz INFCIGQEWXLCPM-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN CCCNc1nc(Cl)nc2[nH]c(C)nc21 ZINC001157357633 970205120 /nfs/dbraw/zinc/20/51/20/970205120.db2.gz XKARACDUFZCPLL-UHFFFAOYSA-N 0 1 225.683 2.088 20 0 BEADMN CCc1cccc(Nc2ccncc2OC)n1 ZINC001211259285 970206076 /nfs/dbraw/zinc/20/60/76/970206076.db2.gz IEPITQZSCOLCPT-UHFFFAOYSA-N 0 1 229.283 2.213 20 0 BEADMN COc1cnccc1Nc1ccccc1[C@H](C)O ZINC001211264357 970207689 /nfs/dbraw/zinc/20/76/89/970207689.db2.gz FBJGAQKRPJEEHV-JTQLQIEISA-N 0 1 244.294 2.309 20 0 BEADMN COc1cnccc1Nc1cccc(F)c1 ZINC001211262597 970207872 /nfs/dbraw/zinc/20/78/72/970207872.db2.gz HMUOOBUBXLCZLP-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN CCOc1ncccc1Nc1ccncc1OC ZINC001211260532 970209708 /nfs/dbraw/zinc/20/97/08/970209708.db2.gz ZFZFSYMQQBBJRH-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN CCOc1ccc(Nc2ccncc2OC)cn1 ZINC001211260957 970210010 /nfs/dbraw/zinc/21/00/10/970210010.db2.gz YEUNPZGWVKRXTP-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN COc1cnccc1Nc1cn(CC(C)C)cn1 ZINC001211262210 970210944 /nfs/dbraw/zinc/21/09/44/970210944.db2.gz CDXFGEREDUYJMT-UHFFFAOYSA-N 0 1 246.314 2.108 20 0 BEADMN COc1cnccc1Nc1cccc(CO)c1C ZINC001211263119 970211674 /nfs/dbraw/zinc/21/16/74/970211674.db2.gz GZZWQAZEZBEHTL-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN COc1cnccc1Nc1c(N)ccc(F)c1C ZINC001211265611 970218420 /nfs/dbraw/zinc/21/84/20/970218420.db2.gz RLPNLDGUXFVUTE-UHFFFAOYSA-N 0 1 247.273 2.285 20 0 BEADMN COC(=O)c1ccc(F)cc1Nc1nccn1C ZINC001211336339 970237752 /nfs/dbraw/zinc/23/77/52/970237752.db2.gz QBLSMLDBIXDUEZ-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN Cc1nnc(Nc2cnccc2C2CC2)o1 ZINC001213867051 970391898 /nfs/dbraw/zinc/39/18/98/970391898.db2.gz XSDQRUHUIWFVAQ-UHFFFAOYSA-N 0 1 216.244 2.394 20 0 BEADMN C[C@@H]1CC[C@@H](N2CCn3cccc3C2)C1 ZINC001170144042 970428659 /nfs/dbraw/zinc/42/86/59/970428659.db2.gz BXQGZVVCCLUPPE-VXGBXAGGSA-N 0 1 204.317 2.492 20 0 BEADMN C[C@H]1CC[C@@H](N2CCn3cccc3C2)C1 ZINC001170144040 970430016 /nfs/dbraw/zinc/43/00/16/970430016.db2.gz BXQGZVVCCLUPPE-NWDGAFQWSA-N 0 1 204.317 2.492 20 0 BEADMN C[C@H](CC(F)(F)F)N1CC2(CSC2)C1 ZINC001255665308 970441776 /nfs/dbraw/zinc/44/17/76/970441776.db2.gz WHSJFQYMHYEUQH-SSDOTTSWSA-N 0 1 225.279 2.376 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302450116 970438102 /nfs/dbraw/zinc/43/81/02/970438102.db2.gz CHVJVLHIWWHRCZ-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2c(cnn2C)C1 ZINC001255659826 970438767 /nfs/dbraw/zinc/43/87/67/970438767.db2.gz CLVUKKXSVPMXPZ-QMMMGPOBSA-N 0 1 247.264 2.119 20 0 BEADMN C[C@@H]1COCC[C@@H]1Nc1ccc2c(n1)CCC2 ZINC000302440592 970440664 /nfs/dbraw/zinc/44/06/64/970440664.db2.gz UAEMITVBFHFAEL-PWSUYJOCSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1ccc(-n2c(N)nc3ccccc32)c(N)c1 ZINC001214177470 970447457 /nfs/dbraw/zinc/44/74/57/970447457.db2.gz BBURWBDROLEYHJ-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN COc1ncnc2c1CCN([C@H]1CC[C@@H](C)C1)C2 ZINC001170152229 970461747 /nfs/dbraw/zinc/46/17/47/970461747.db2.gz JTJHJEPYDVKJET-MNOVXSKESA-N 0 1 247.342 2.032 20 0 BEADMN Nc1nc2ccccc2n1-c1cc(F)ccc1N ZINC001214197194 970462342 /nfs/dbraw/zinc/46/23/42/970462342.db2.gz VYMJGURKNAZMAB-UHFFFAOYSA-N 0 1 242.257 2.329 20 0 BEADMN CC[C@@H]1C[C@H](NCc2nc(C)oc2C)CCO1 ZINC001170159740 970495094 /nfs/dbraw/zinc/49/50/94/970495094.db2.gz COCTVTAIWHHZIQ-VXGBXAGGSA-N 0 1 238.331 2.339 20 0 BEADMN Cc1ccc(C[C@H](C)N2CCO[C@@H]3C[C@@H]32)cc1 ZINC001255798166 970498556 /nfs/dbraw/zinc/49/85/56/970498556.db2.gz YEVSMMVFGANZIT-AEGPPILISA-N 0 1 231.339 2.399 20 0 BEADMN CCc1coc(CN[C@H]2CCO[C@@H](CC)C2)n1 ZINC001170161302 970502332 /nfs/dbraw/zinc/50/23/32/970502332.db2.gz NLNVDXLVOQTNSF-RYUDHWBXSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](Cc1ccccc1F)N1CC2(COC2)C1 ZINC001255842433 970512858 /nfs/dbraw/zinc/51/28/58/970512858.db2.gz SEJPYWWFILKYIQ-NSHDSACASA-N 0 1 235.302 2.089 20 0 BEADMN Cc1noc([C@@H](NCCCF)C(C)C)n1 ZINC000179863402 970520501 /nfs/dbraw/zinc/52/05/01/970520501.db2.gz FHZSJALEZXRZTG-VIFPVBQESA-N 0 1 215.272 2.024 20 0 BEADMN NCc1nccnc1NC1CCCCCC1 ZINC001255883137 970544898 /nfs/dbraw/zinc/54/48/98/970544898.db2.gz IBJFLUWPJUJRPU-UHFFFAOYSA-N 0 1 220.320 2.070 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CCC2(CC2)C1 ZINC000400093497 970547672 /nfs/dbraw/zinc/54/76/72/970547672.db2.gz WGRNMTPMPFTBPC-UHFFFAOYSA-N 0 1 231.295 2.371 20 0 BEADMN CC[C@H]1C[C@@H](N2CCn3cccc3C2)CCO1 ZINC001170221146 970592492 /nfs/dbraw/zinc/59/24/92/970592492.db2.gz KDDNSFUFQAIJLS-JSGCOSHPSA-N 0 1 234.343 2.261 20 0 BEADMN CC(C)[C@H](N)c1noc(CCC2CC2)n1 ZINC000400999251 970655575 /nfs/dbraw/zinc/65/55/75/970655575.db2.gz ZDPBQLWVEKXWOG-JTQLQIEISA-N 0 1 209.293 2.068 20 0 BEADMN OC1CN([C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256113988 970660553 /nfs/dbraw/zinc/66/05/53/970660553.db2.gz SPGJJHNPTJRTJN-KBPBESRZSA-N 0 1 231.339 2.389 20 0 BEADMN COc1cccc(C[C@H](C)NCc2ncco2)c1 ZINC001256140973 970668916 /nfs/dbraw/zinc/66/89/16/970668916.db2.gz NFRDXHVKZDXXJY-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN COc1cccc(C[C@@H](C)N2C=C(N)C=CC2)c1 ZINC001256153737 970675487 /nfs/dbraw/zinc/67/54/87/970675487.db2.gz LYPBMKOEFRHCGC-GFCCVEGCSA-N 0 1 244.338 2.298 20 0 BEADMN COc1cccc(C[C@H](C)N(C)CC(C)=O)c1 ZINC001256161717 970679979 /nfs/dbraw/zinc/67/99/79/970679979.db2.gz YYWTWMOEXKPNHI-NSHDSACASA-N 0 1 235.327 2.147 20 0 BEADMN CCN([C@@H](C)Cc1cccc(OC)c1)C1COC1 ZINC001256169069 970682225 /nfs/dbraw/zinc/68/22/25/970682225.db2.gz YPYDYYMAXSDTKG-LBPRGKRZSA-N 0 1 249.354 2.347 20 0 BEADMN Cc1occc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000321235946 970755595 /nfs/dbraw/zinc/75/55/95/970755595.db2.gz MDOBJCQEFHONST-LBPRGKRZSA-N 0 1 237.299 2.417 20 0 BEADMN CCCN(C)CN1C(=O)C[C@H]1Cc1ccccc1 ZINC001327341068 972553412 /nfs/dbraw/zinc/55/34/12/972553412.db2.gz KQNUMEYCWDOKKR-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1c(O)cccc1CN1C[C@H]2CC[C@@H](C1)C2=O ZINC001144118494 972592939 /nfs/dbraw/zinc/59/29/39/972592939.db2.gz YHLSIEFWXZKPRO-BETUJISGSA-N 0 1 245.322 2.112 20 0 BEADMN Cc1cccc([C@H](C)NCc2nnc[nH]2)c1C ZINC001327553477 972629153 /nfs/dbraw/zinc/62/91/53/972629153.db2.gz FYVRVXYHTFTXJL-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc2c(n1CC[C@H]1CCOC1=O)CCCC2 ZINC001327565268 972639281 /nfs/dbraw/zinc/63/92/81/972639281.db2.gz JKKCDXXDARMFPA-NSHDSACASA-N 0 1 248.326 2.024 20 0 BEADMN Clc1ccccc1C1(NCc2nnc[nH]2)CC1 ZINC001327574327 972649361 /nfs/dbraw/zinc/64/93/61/972649361.db2.gz QLJZTPMVCBMSRI-UHFFFAOYSA-N 0 1 248.717 2.237 20 0 BEADMN Cc1[nH+]c(N[C@H]2CC[C@H]2C)ccc1C(=O)[O-] ZINC000393838172 972649847 /nfs/dbraw/zinc/64/98/47/972649847.db2.gz OGGDAVJIBDXZIN-XCBNKYQSSA-N 0 1 220.272 2.299 20 0 BEADMN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)[nH]n1 ZINC001327573703 972650439 /nfs/dbraw/zinc/65/04/39/972650439.db2.gz TXASZUNWWLZCAS-ZDUSSCGKSA-N 0 1 231.343 2.483 20 0 BEADMN CN(CCF)Cc1[nH]nc2ccc(F)cc21 ZINC001144205664 972690673 /nfs/dbraw/zinc/69/06/73/972690673.db2.gz DRIGDQCUDLFOBN-UHFFFAOYSA-N 0 1 225.242 2.103 20 0 BEADMN CCc1cccc(CN2CC3(CC(O)C3)C2)c1 ZINC001144315086 972762814 /nfs/dbraw/zinc/76/28/14/972762814.db2.gz JWXAOXBDFAQODG-UHFFFAOYSA-N 0 1 231.339 2.206 20 0 BEADMN CN(C)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144345066 972779770 /nfs/dbraw/zinc/77/97/70/972779770.db2.gz RKUCXWLSHWPWQW-UHFFFAOYSA-N 0 1 234.221 2.084 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1cnc2ccccn21 ZINC001223001784 972796895 /nfs/dbraw/zinc/79/68/95/972796895.db2.gz LCCAJRJUIXCEPM-SNVBAGLBSA-N 0 1 242.282 2.335 20 0 BEADMN c1ncc(COC[C@H]2CCc3ccccc3O2)[nH]1 ZINC001223001392 972797548 /nfs/dbraw/zinc/79/75/48/972797548.db2.gz IKGRTCICNVGJMJ-CYBMUJFWSA-N 0 1 244.294 2.320 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1cccnc1F ZINC001223008057 972799730 /nfs/dbraw/zinc/79/97/30/972799730.db2.gz UVRDOROKTZNQRD-QMMMGPOBSA-N 0 1 221.235 2.222 20 0 BEADMN C[C@H](OCc1nn[nH]n1)c1cccc(Cl)c1 ZINC001223027195 972803139 /nfs/dbraw/zinc/80/31/39/972803139.db2.gz NDPLLGSRUKWEKC-ZETCQYMHSA-N 0 1 238.678 2.131 20 0 BEADMN C[C@@H](COCc1cnc[nH]1)Oc1ccccc1 ZINC001223008604 972804762 /nfs/dbraw/zinc/80/47/62/972804762.db2.gz ZWWOPJKDQYIVKB-NSHDSACASA-N 0 1 232.283 2.394 20 0 BEADMN C[C@@H](OCc1nn[nH]n1)c1cccc(Cl)c1 ZINC001223027194 972804800 /nfs/dbraw/zinc/80/48/00/972804800.db2.gz NDPLLGSRUKWEKC-SSDOTTSWSA-N 0 1 238.678 2.131 20 0 BEADMN CCCCC[C@H](CCC)OCc1nn[nH]n1 ZINC001223027167 972806388 /nfs/dbraw/zinc/80/63/88/972806388.db2.gz MTRKMLDFFDWNMA-JTQLQIEISA-N 0 1 226.324 2.465 20 0 BEADMN CC[C@@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223028022 972807356 /nfs/dbraw/zinc/80/73/56/972807356.db2.gz VCAYSTMJTZVHHJ-SNVBAGLBSA-N 0 1 224.308 2.075 20 0 BEADMN CCC(CC)CCCN(C)Cc1nnc[nH]1 ZINC001327913150 972807568 /nfs/dbraw/zinc/80/75/68/972807568.db2.gz JYNXQRWRLCCZKZ-UHFFFAOYSA-N 0 1 224.352 2.453 20 0 BEADMN CC(C)(C)C1CCC(OCc2nn[nH]n2)CC1 ZINC001223028671 972808911 /nfs/dbraw/zinc/80/89/11/972808911.db2.gz APFJIEPPUMJVSU-UHFFFAOYSA-N 0 1 238.335 2.321 20 0 BEADMN CCCCC(CCCC)OCc1nn[nH]n1 ZINC001223028113 972809483 /nfs/dbraw/zinc/80/94/83/972809483.db2.gz XNUUATCJRDXCAV-UHFFFAOYSA-N 0 1 226.324 2.465 20 0 BEADMN CC1(C)C[C@]1(NCc1nnc[nH]1)c1ccccc1 ZINC001327919690 972812892 /nfs/dbraw/zinc/81/28/92/972812892.db2.gz VKTPODTUMBEERD-AWEZNQCLSA-N 0 1 242.326 2.220 20 0 BEADMN CC(C)Oc1ccnc(NCC[C@@H](C)CO)c1 ZINC001160603058 972817958 /nfs/dbraw/zinc/81/79/58/972817958.db2.gz BWBYOSGQYOMYBL-LLVKDONJSA-N 0 1 238.331 2.299 20 0 BEADMN Cc1ccccc1OCCSCc1nnc[nH]1 ZINC001328038808 972858932 /nfs/dbraw/zinc/85/89/32/972858932.db2.gz LFCHRLMQQIKZRH-UHFFFAOYSA-N 0 1 249.339 2.425 20 0 BEADMN Cc1ccc(COC2CN(C(C)(C)C)C2)nc1 ZINC001223237624 972894208 /nfs/dbraw/zinc/89/42/08/972894208.db2.gz VXLGHYGRKBQENY-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000396805119 972939087 /nfs/dbraw/zinc/93/90/87/972939087.db2.gz JMWKFECZHLPIQS-ZJRUKIMVSA-N 0 1 211.305 2.282 20 0 BEADMN CCC[C@H]1CCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000396805111 972939147 /nfs/dbraw/zinc/93/91/47/972939147.db2.gz JMWKFECZHLPIQS-BRNRAETOSA-N 0 1 211.305 2.282 20 0 BEADMN COC(=O)c1cc(CNC/C=C\C2CC2)c(C)o1 ZINC001329981830 1169954411 /nfs/dbraw/zinc/95/44/11/1169954411.db2.gz DCHFKHWMNLIGIB-ARJAWSKDSA-N 0 1 249.310 2.430 20 0 BEADMN Cn1cc(CNC/C=C\C2CC2)c(Cl)n1 ZINC001328482728 973092407 /nfs/dbraw/zinc/09/24/07/973092407.db2.gz QHOGGRWJTNMAAB-IHWYPQMZSA-N 0 1 225.723 2.129 20 0 BEADMN CCON(C(=O)c1cnc(C(C)C)[nH]1)C(C)C ZINC001328577503 973159425 /nfs/dbraw/zinc/15/94/25/973159425.db2.gz LXAVRKVCUNQQHY-UHFFFAOYSA-N 0 1 239.319 2.335 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C/C(C)=C\C(=O)[O-] ZINC000399522618 973223382 /nfs/dbraw/zinc/22/33/82/973223382.db2.gz KLODEEKGTQYXOS-JAPXBJLTSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C/C(C)=C/C(=O)[O-] ZINC000399522619 973223773 /nfs/dbraw/zinc/22/37/73/973223773.db2.gz KLODEEKGTQYXOS-JMQBSKDBSA-N 0 1 211.305 2.138 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C(C)(C)CC ZINC001276916735 973247229 /nfs/dbraw/zinc/24/72/29/973247229.db2.gz VNXGYPBKIQFVTQ-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400071088 973250200 /nfs/dbraw/zinc/25/02/00/973250200.db2.gz HGRFDOBGMUCVNJ-JTQLQIEISA-N 0 1 235.283 2.210 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000400076833 973250984 /nfs/dbraw/zinc/25/09/84/973250984.db2.gz LCSHPJLKHASKFM-NWDGAFQWSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)nc1 ZINC000400099731 973251026 /nfs/dbraw/zinc/25/10/26/973251026.db2.gz ZIJRVVODDFDIQU-LBPRGKRZSA-N 0 1 246.310 2.012 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000400088677 973251278 /nfs/dbraw/zinc/25/12/78/973251278.db2.gz RSXLICZGDOWBFW-LLVKDONJSA-N 0 1 246.310 2.012 20 0 BEADMN COC(=O)c1oc(CNC/C=C\C2CC2)cc1C ZINC001328759517 973336020 /nfs/dbraw/zinc/33/60/20/973336020.db2.gz WXQYCYFBUIGCAY-ARJAWSKDSA-N 0 1 249.310 2.430 20 0 BEADMN Cc1ccc(OCCN2CC[C@]23CCOC3)cc1 ZINC001328793573 973344710 /nfs/dbraw/zinc/34/47/10/973344710.db2.gz NKUINBKWLJKRNQ-OAHLLOKOSA-N 0 1 247.338 2.239 20 0 BEADMN c1csc(N2CC3(CC[N@@H+]3C3CCCC3)C2)n1 ZINC001276964160 973554666 /nfs/dbraw/zinc/55/46/66/973554666.db2.gz DSOSXVQJAXOBKN-UHFFFAOYSA-N 0 1 249.383 2.350 20 0 BEADMN c1csc(N2CC3(CCN3C3CCCC3)C2)n1 ZINC001276964160 973554677 /nfs/dbraw/zinc/55/46/77/973554677.db2.gz DSOSXVQJAXOBKN-UHFFFAOYSA-N 0 1 249.383 2.350 20 0 BEADMN CC1(C)CCN1C(=O)c1c2[nH]cnc2ccc1F ZINC001147456200 973633038 /nfs/dbraw/zinc/63/30/38/973633038.db2.gz JNHQCNNNBUXNTM-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(C(C)C)on1 ZINC001148269451 973816048 /nfs/dbraw/zinc/81/60/48/973816048.db2.gz GLJHJGVBPBSJCX-UHFFFAOYSA-N 0 1 239.319 2.078 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1Cc1ccccn1 ZINC001332275832 1169968212 /nfs/dbraw/zinc/96/82/12/1169968212.db2.gz CDEPZJBWFSEEBD-UHFFFAOYSA-N 0 1 243.310 2.360 20 0 BEADMN CCC[C@H](CC)C(=O)Nc1nnc(CC)[nH]1 ZINC001329847711 973969654 /nfs/dbraw/zinc/96/96/54/973969654.db2.gz NYGTXWCJYKOJQW-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CCC[C@H](CC)C(=O)Nc1nc(CC)n[nH]1 ZINC001329847711 973969669 /nfs/dbraw/zinc/96/96/69/973969669.db2.gz NYGTXWCJYKOJQW-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN C[C@H]1CN([C@@H]2CCc3c(F)cccc3C2)CCO1 ZINC001171421919 974035939 /nfs/dbraw/zinc/03/59/39/974035939.db2.gz MVLNTCTZIQDHEA-WCQYABFASA-N 0 1 249.329 2.404 20 0 BEADMN CCc1ccc(-c2noc([C@@H]3C=CCN3)n2)cc1 ZINC001248230387 974062499 /nfs/dbraw/zinc/06/24/99/974062499.db2.gz YMSTVCMBLLZFAU-LBPRGKRZSA-N 0 1 241.294 2.500 20 0 BEADMN C=Cc1cccc(Nc2nccnc2CN)c1 ZINC001171449482 974073096 /nfs/dbraw/zinc/07/30/96/974073096.db2.gz GMKMPFYMTCIJHH-UHFFFAOYSA-N 0 1 226.283 2.322 20 0 BEADMN Cc1cccc2c1CC[C@@H](N(C)C1COC1)C2 ZINC001171571022 974105105 /nfs/dbraw/zinc/10/51/05/974105105.db2.gz QPSBFVPPCULFPB-CYBMUJFWSA-N 0 1 231.339 2.183 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)OCc2nnc[nH]2)CC1 ZINC001330213399 974159301 /nfs/dbraw/zinc/15/93/01/974159301.db2.gz YBSXPWFYSXGSDT-MGCOHNPYSA-N 0 1 237.303 2.064 20 0 BEADMN CCc1nc([C@@H](C)SC2=NCCS2)n[nH]1 ZINC001330231778 974171602 /nfs/dbraw/zinc/17/16/02/974171602.db2.gz DZDDUQBZNQAPFC-ZCFIWIBFSA-N 0 1 242.373 2.264 20 0 BEADMN CCN(C1COC1)[C@H]1Cc2cccc(F)c2C1 ZINC001171805818 974194712 /nfs/dbraw/zinc/19/47/12/974194712.db2.gz RJICIPIQFDZUMX-NSHDSACASA-N 0 1 235.302 2.014 20 0 BEADMN CN(CCF)[C@H]1Cc2cccc(F)c2C1 ZINC001171810572 974201899 /nfs/dbraw/zinc/20/18/99/974201899.db2.gz BHVFZQPNKVCVPX-JTQLQIEISA-N 0 1 211.255 2.194 20 0 BEADMN CN1[C@@H]2C[C@H](Oc3cccc(F)c3)[C@H]1CC(=O)C2 ZINC001225226890 974265584 /nfs/dbraw/zinc/26/55/84/974265584.db2.gz JCGCBFVLKJVVAV-GDLCADMTSA-N 0 1 249.285 2.009 20 0 BEADMN OC1CCC(CN2CCC=C(F)C2)CC1 ZINC001330503298 974279349 /nfs/dbraw/zinc/27/93/49/974279349.db2.gz HTOLPSGBOHJDCG-UHFFFAOYSA-N 0 1 213.296 2.097 20 0 BEADMN c1cc(CN2CCSCC2)n(C2CC2)c1 ZINC001330517878 974286804 /nfs/dbraw/zinc/28/68/04/974286804.db2.gz UWHGNYNKCZBKSG-UHFFFAOYSA-N 0 1 222.357 2.372 20 0 BEADMN CC1(N[C@H]2CSc3ccccc3C2)COC1 ZINC001172184797 974396852 /nfs/dbraw/zinc/39/68/52/974396852.db2.gz OWMLPTQVKHNCBY-LLVKDONJSA-N 0 1 235.352 2.082 20 0 BEADMN Cc1cccc(OCCSCc2nnc[nH]2)c1 ZINC001330684079 974409828 /nfs/dbraw/zinc/40/98/28/974409828.db2.gz AQOBUHLPPKJOFU-UHFFFAOYSA-N 0 1 249.339 2.425 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001330687283 974416095 /nfs/dbraw/zinc/41/60/95/974416095.db2.gz IKAKRWFNTIVXLW-SNVBAGLBSA-N 0 1 231.299 2.216 20 0 BEADMN CC[C@](C)(NCc1nnc[nH]1)c1ccc(F)cc1 ZINC001330687819 974417550 /nfs/dbraw/zinc/41/75/50/974417550.db2.gz CXAXCBMXAAAWIL-ZDUSSCGKSA-N 0 1 248.305 2.359 20 0 BEADMN CN1CCC[C@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225364235 974444904 /nfs/dbraw/zinc/44/49/04/974444904.db2.gz QZPRVBXWLJHSQZ-ZDUSSCGKSA-N 0 1 245.322 2.289 20 0 BEADMN CN(Cc1nccs1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231352 974474437 /nfs/dbraw/zinc/47/44/37/974474437.db2.gz RHHZAEQJULTCQZ-FGWVZKOKSA-N 0 1 238.356 2.285 20 0 BEADMN CC1(CO)CN([C@@H]2CSc3ccccc3C2)C1 ZINC001172192873 974480032 /nfs/dbraw/zinc/48/00/32/974480032.db2.gz HHQBOZZWQIRSPK-LBPRGKRZSA-N 0 1 249.379 2.018 20 0 BEADMN NC1=CN([C@@H]2CSc3ccccc3C2)CC=C1 ZINC001172201083 974482347 /nfs/dbraw/zinc/48/23/47/974482347.db2.gz LXCACFKEPVGVCD-ZDUSSCGKSA-N 0 1 244.363 2.375 20 0 BEADMN COc1cccc(F)c1O[C@@H]1CCCN(C)C1 ZINC001225446609 974492726 /nfs/dbraw/zinc/49/27/26/974492726.db2.gz CXKXPEKIYNCBLU-SNVBAGLBSA-N 0 1 239.290 2.307 20 0 BEADMN CC[C@H](C)OCC[C@H](C)NCc1ncco1 ZINC001172317423 974523670 /nfs/dbraw/zinc/52/36/70/974523670.db2.gz RCSWKIYRJOFZHV-QWRGUYRKSA-N 0 1 226.320 2.358 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2ccc([S-])cc2)C1 ZINC001225554699 974551748 /nfs/dbraw/zinc/55/17/48/974551748.db2.gz GGIOXWKPPFEOEL-NSHDSACASA-N 0 1 223.341 2.448 20 0 BEADMN Nc1ccnc(CNC(=O)C2CCC=CCC2)c1 ZINC001331002812 974556942 /nfs/dbraw/zinc/55/69/42/974556942.db2.gz DJRRSWCEKBWAKD-UHFFFAOYSA-N 0 1 245.326 2.026 20 0 BEADMN Cc1cnc2c(c1)CN([C@@H]1COC(C)(C)C1)CC2 ZINC001172293586 974560000 /nfs/dbraw/zinc/56/00/00/974560000.db2.gz IQVNDLDRFCMWHR-ZDUSSCGKSA-N 0 1 246.354 2.316 20 0 BEADMN C[N@H+]1CC[C@H](Oc2ccccc2[S-])C1 ZINC001225585481 974569031 /nfs/dbraw/zinc/56/90/31/974569031.db2.gz XBZPCLJTYXJDIM-VIFPVBQESA-N 0 1 209.314 2.058 20 0 BEADMN Cn1cc(CCC[N@@H+](C)CCC(F)(F)F)cn1 ZINC001331075212 974589279 /nfs/dbraw/zinc/58/92/79/974589279.db2.gz OEDPFTNUMJCEKI-UHFFFAOYSA-N 0 1 249.280 2.237 20 0 BEADMN CN1CCC[C@H](Oc2cccc3c2CCC3=O)C1 ZINC001225619051 974596464 /nfs/dbraw/zinc/59/64/64/974596464.db2.gz YLBBSEPMCXACMS-NSHDSACASA-N 0 1 245.322 2.289 20 0 BEADMN C[N@H+]1CC[C@@H](Oc2ccc3c(c2)CCCC3=O)C1 ZINC001225636289 974610501 /nfs/dbraw/zinc/61/05/01/974610501.db2.gz VELVVVPIVASBLA-CYBMUJFWSA-N 0 1 245.322 2.289 20 0 BEADMN CN1CC[C@@H](Oc2ccc3c(c2)CCCC3=O)C1 ZINC001225636289 974610509 /nfs/dbraw/zinc/61/05/09/974610509.db2.gz VELVVVPIVASBLA-CYBMUJFWSA-N 0 1 245.322 2.289 20 0 BEADMN CN(Cc1cc(Cl)n(C)n1)C(C)(C)C ZINC001331398109 974706087 /nfs/dbraw/zinc/70/60/87/974706087.db2.gz UPCNFCMAYHCPML-UHFFFAOYSA-N 0 1 215.728 2.304 20 0 BEADMN O=c1ncc(F)c(O[C@H]2CCc3ccccc32)[nH]1 ZINC001225882446 974714376 /nfs/dbraw/zinc/71/43/76/974714376.db2.gz TULQOMDZDUKCBQ-NSHDSACASA-N 0 1 246.241 2.388 20 0 BEADMN CCOCC[C@H](C)N1CCc2ncsc2C1 ZINC001172432993 974719882 /nfs/dbraw/zinc/71/98/82/974719882.db2.gz MGLPRVSJFVDRKZ-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CC[C@@H](CC(C)C)N[C@H]1CCSC1=O ZINC001172390552 974738793 /nfs/dbraw/zinc/73/87/93/974738793.db2.gz VDOLRRNHZTZSHE-UWVGGRQHSA-N 0 1 215.362 2.433 20 0 BEADMN CC(C)[C@@H](C)Oc1cccc2[nH]nnc21 ZINC001225991226 974755489 /nfs/dbraw/zinc/75/54/89/974755489.db2.gz XIMNJIPUDIAJKK-MRVPVSSYSA-N 0 1 205.261 2.381 20 0 BEADMN C[C@@H](Oc1cccc2[nH]nnc21)C1CC1 ZINC001225998479 974758381 /nfs/dbraw/zinc/75/83/81/974758381.db2.gz WDZCOAZJWRVLEH-SSDOTTSWSA-N 0 1 203.245 2.135 20 0 BEADMN CC[C@H]1CN(Cc2n[nH]c(C)c2C)[C@@H](C)CO1 ZINC001331548632 974759775 /nfs/dbraw/zinc/75/97/75/974759775.db2.gz MJUBDVGPNQHSSS-CABZTGNLSA-N 0 1 237.347 2.026 20 0 BEADMN CC[NH+]1CC(Oc2cccc([S-])c2)C1 ZINC001226016838 974763778 /nfs/dbraw/zinc/76/37/78/974763778.db2.gz VJTCWWUAXMODFH-UHFFFAOYSA-N 0 1 209.314 2.058 20 0 BEADMN CO[C@H]1CN([C@@H](C)CCOCC(C)C)C[C@@H]1F ZINC001172472441 974770242 /nfs/dbraw/zinc/77/02/42/974770242.db2.gz IZZKSKJJFFQZFS-AVGNSLFASA-N 0 1 247.354 2.106 20 0 BEADMN C[C@H]1CCN(Cc2nnc[nH]2)[C@@H]1c1ccccc1 ZINC001331703342 974796231 /nfs/dbraw/zinc/79/62/31/974796231.db2.gz QZKFTRKANQSLEF-FZMZJTMJSA-N 0 1 242.326 2.388 20 0 BEADMN CN1CCC[C@H](Oc2cc(O)ccc2F)C1 ZINC001226122358 974801461 /nfs/dbraw/zinc/80/14/61/974801461.db2.gz MSZFGEWMBMJUAW-JTQLQIEISA-N 0 1 225.263 2.004 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCC[C@H](C)C2)n1 ZINC001226156236 974812331 /nfs/dbraw/zinc/81/23/31/974812331.db2.gz KYYVJZMVYDIKFC-WCBMZHEXSA-N 0 1 222.288 2.448 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226159428 974814024 /nfs/dbraw/zinc/81/40/24/974814024.db2.gz MAKLQPADSQJHEK-VXNVDRBHSA-N 0 1 210.277 2.304 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cccnc2F)n1 ZINC001226157837 974814735 /nfs/dbraw/zinc/81/47/35/974814735.db2.gz GYUKXKGOMORPSA-MRVPVSSYSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@@]2(F)c2ccccc2)n[nH]1 ZINC001331838202 974831756 /nfs/dbraw/zinc/83/17/56/974831756.db2.gz PBWVBMPXDZLCNQ-ZIAGYGMSSA-N 0 1 245.301 2.445 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)C(F)(F)F ZINC001226300535 974848898 /nfs/dbraw/zinc/84/88/98/974848898.db2.gz ONSYABNKECCUBM-RXMQYKEDSA-N 0 1 231.177 2.288 20 0 BEADMN C[C@@H](Oc1nccc(=O)[nH]1)c1ccccc1F ZINC001226325320 974856564 /nfs/dbraw/zinc/85/65/64/974856564.db2.gz ZXWGHYPQQSIMAG-MRVPVSSYSA-N 0 1 234.230 2.461 20 0 BEADMN COc1ccc([C@@H](C)Oc2nccc(=O)[nH]2)cc1 ZINC001226324617 974856627 /nfs/dbraw/zinc/85/66/27/974856627.db2.gz SJLCSROLILZGJA-SECBINFHSA-N 0 1 246.266 2.331 20 0 BEADMN C[C@H]1CCCC[C@H]1Oc1nccc(=O)[nH]1 ZINC001226324719 974857170 /nfs/dbraw/zinc/85/71/70/974857170.db2.gz TWRRBUJPPHUXGK-DTWKUNHWSA-N 0 1 208.261 2.140 20 0 BEADMN CC(C)C(Oc1nccc(=O)[nH]1)C(C)C ZINC001226324567 974857358 /nfs/dbraw/zinc/85/73/58/974857358.db2.gz QEWOQHGFTXYNTG-UHFFFAOYSA-N 0 1 210.277 2.242 20 0 BEADMN C[C@H]1CC(Oc2nccc(=O)[nH]2)C[C@H](C)C1 ZINC001226324763 974857384 /nfs/dbraw/zinc/85/73/84/974857384.db2.gz UQHRWCSEQCBXLL-RKDXNWHRSA-N 0 1 222.288 2.386 20 0 BEADMN Cc1ccc([C@H](C)Oc2nccc(=O)[nH]2)cn1 ZINC001226327419 974860319 /nfs/dbraw/zinc/86/03/19/974860319.db2.gz WQOLKNVSYYJJHT-VIFPVBQESA-N 0 1 231.255 2.026 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1Oc1nccc(=O)[nH]1 ZINC001226327219 974861209 /nfs/dbraw/zinc/86/12/09/974861209.db2.gz TVDPMVGGXLIZPW-JZYVYDRUSA-N 0 1 222.288 2.386 20 0 BEADMN Cc1cnc(Cl)c(O[C@H]2CCN(C)C2)c1 ZINC001226357378 974863773 /nfs/dbraw/zinc/86/37/73/974863773.db2.gz VAGUEQSBSAPGID-VIFPVBQESA-N 0 1 226.707 2.126 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2ncccc2C)no1 ZINC001212669693 974872112 /nfs/dbraw/zinc/87/21/12/974872112.db2.gz LUJDYJZBZFEUNW-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2ccc(C)cn2)no1 ZINC001212669562 974873678 /nfs/dbraw/zinc/87/36/78/974873678.db2.gz FNWCQHDUASISRK-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN COC(=O)[C@H]1CCC[C@H](N2CCC[C@H](F)C2)C1 ZINC001172628594 974890190 /nfs/dbraw/zinc/89/01/90/974890190.db2.gz KOSFUCNBCRFELF-SRVKXCTJSA-N 0 1 243.322 2.152 20 0 BEADMN CC(=O)[C@H](C)Oc1cc(N)nc2ccccc21 ZINC001226419421 974892208 /nfs/dbraw/zinc/89/22/08/974892208.db2.gz VMEDHDWSWAQSJQ-VIFPVBQESA-N 0 1 230.267 2.173 20 0 BEADMN CN(C1COC1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172717348 974906309 /nfs/dbraw/zinc/90/63/09/974906309.db2.gz FMJHKFWBPWZYPT-GFCCVEGCSA-N 0 1 237.730 2.138 20 0 BEADMN CC(C)OC(=O)CC[C@@H](C)N1CC(C(F)F)C1 ZINC001172765868 974932331 /nfs/dbraw/zinc/93/23/31/974932331.db2.gz BDTJHDYDBXGBNJ-SECBINFHSA-N 0 1 249.301 2.304 20 0 BEADMN C[C@@H]1CCN(CN2CCC2=O)[C@@H]1c1ccccc1 ZINC001332168017 974989553 /nfs/dbraw/zinc/98/95/53/974989553.db2.gz FWILFZOCJFSTTM-DOMZBBRYSA-N 0 1 244.338 2.259 20 0 BEADMN CCCOC1CCC(N2CCO[C@H]3C[C@H]32)CC1 ZINC001173100136 975021233 /nfs/dbraw/zinc/02/12/33/975021233.db2.gz AZDQLYZMWMOAHS-PQAZSJQKSA-N 0 1 239.359 2.197 20 0 BEADMN Cc1cc(CN[C@@H]2CCc3ncsc3C2)no1 ZINC001173120229 975029106 /nfs/dbraw/zinc/02/91/06/975029106.db2.gz CUQGJDAAHFTGQS-SECBINFHSA-N 0 1 249.339 2.087 20 0 BEADMN CO[C@H](C)COc1nc2ccc(F)cc2[nH]1 ZINC001226701062 975034260 /nfs/dbraw/zinc/03/42/60/975034260.db2.gz KEULPTFDYLYJER-SSDOTTSWSA-N 0 1 224.235 2.116 20 0 BEADMN COc1cccc2c1C[C@H](N1CC(C)(C)C1)CO2 ZINC001173152589 975049518 /nfs/dbraw/zinc/04/95/18/975049518.db2.gz QWCZGXNFHIKLQN-NSHDSACASA-N 0 1 247.338 2.341 20 0 BEADMN Cc1csc(CCCNCc2ccon2)n1 ZINC001332312996 975050683 /nfs/dbraw/zinc/05/06/83/975050683.db2.gz KSWWDLRCCMSJRO-UHFFFAOYSA-N 0 1 237.328 2.162 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)OCc1nnc[nH]1 ZINC001332338079 975062583 /nfs/dbraw/zinc/06/25/83/975062583.db2.gz AIVRWJZLBXZRHD-BXKDBHETSA-N 0 1 237.303 2.064 20 0 BEADMN CC(=O)c1c(O)cccc1O[C@@H]1CCCN(C)C1 ZINC001226772591 975072679 /nfs/dbraw/zinc/07/26/79/975072679.db2.gz CHYCAZDPNPENQC-LLVKDONJSA-N 0 1 249.310 2.068 20 0 BEADMN CCSC[C@H](C)NCc1cncc(Cl)n1 ZINC001173292604 975167697 /nfs/dbraw/zinc/16/76/97/975167697.db2.gz ZSVOCRTVDXGEMZ-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCN(C(C)C)C(=O)C2)C1 ZINC001173292509 975168734 /nfs/dbraw/zinc/16/87/34/975168734.db2.gz GZLRWOPDOBDIQH-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977059 975199229 /nfs/dbraw/zinc/19/92/29/975199229.db2.gz UYIMEQYSQAISQT-IUCAKERBSA-N 0 1 247.298 2.132 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1ccno1 ZINC001173313319 975223752 /nfs/dbraw/zinc/22/37/52/975223752.db2.gz AWOOWHWVEXWXLC-SECBINFHSA-N 0 1 214.334 2.248 20 0 BEADMN CCSC[C@H](C)N(C)Cc1ccno1 ZINC001173313320 975226268 /nfs/dbraw/zinc/22/62/68/975226268.db2.gz AWOOWHWVEXWXLC-VIFPVBQESA-N 0 1 214.334 2.248 20 0 BEADMN CC[C@H]1CC[C@@H](n2nc(COC)c3c2CNC3)C1 ZINC001173278836 975236815 /nfs/dbraw/zinc/23/68/15/975236815.db2.gz FYPLDZJNHWHIBX-WDEREUQCSA-N 0 1 249.358 2.384 20 0 BEADMN CC[C@@H]1CC[C@@H](N2Cc3cnn(C)c3C2)C1 ZINC001173289795 975258674 /nfs/dbraw/zinc/25/86/74/975258674.db2.gz USKVAFZAZCZLMX-ZYHUDNBSSA-N 0 1 219.332 2.314 20 0 BEADMN CC(C)(CF)NCc1ccnn1C1CCC1 ZINC001332784431 975283785 /nfs/dbraw/zinc/28/37/85/975283785.db2.gz UPYPUTVCDBMBNC-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2c(C)cccc2O)C1 ZINC001227140331 975293221 /nfs/dbraw/zinc/29/32/21/975293221.db2.gz XBYKBZMZXMLEFQ-LLVKDONJSA-N 0 1 221.300 2.174 20 0 BEADMN CC[C@H](N[C@H](C)c1ncccn1)[C@@H]1CCCO1 ZINC001332865475 975297844 /nfs/dbraw/zinc/29/78/44/975297844.db2.gz GELDGQIXVGTZCI-WOPDTQHZSA-N 0 1 235.331 2.085 20 0 BEADMN CCN1CC[C@H](N[C@@H](C(C)=O)c2ccccc2)C1 ZINC001173351971 975299170 /nfs/dbraw/zinc/29/91/70/975299170.db2.gz GTQMNJPDWIWMCO-GJZGRUSLSA-N 0 1 246.354 2.001 20 0 BEADMN c1c(CN[C@@H]2C=CCCC2)nn2c1CCCC2 ZINC001332947325 975335183 /nfs/dbraw/zinc/33/51/83/975335183.db2.gz WHOBHMLPAFKTLK-GFCCVEGCSA-N 0 1 231.343 2.418 20 0 BEADMN CC(=O)[C@@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227268404 975343010 /nfs/dbraw/zinc/34/30/10/975343010.db2.gz OUAOCYDZAKUIKG-SECBINFHSA-N 0 1 218.256 2.228 20 0 BEADMN Cc1cccc2nc(OC[C@H]3CCCO3)[nH]c21 ZINC001227270628 975346225 /nfs/dbraw/zinc/34/62/25/975346225.db2.gz AVMKMTWCWRJGSZ-SNVBAGLBSA-N 0 1 232.283 2.429 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270863 975347356 /nfs/dbraw/zinc/34/73/56/975347356.db2.gz MWCIAXIDUYXVLO-HTQZYQBOSA-N 0 1 235.287 2.477 20 0 BEADMN Fc1cc2c(cc1F)CC(N[C@@H]1C[C@H]1F)C2 ZINC001173474568 975379445 /nfs/dbraw/zinc/37/94/45/975379445.db2.gz XGUMEGSSDZFUNI-VXGBXAGGSA-N 0 1 227.229 2.132 20 0 BEADMN CCCc1ccc(NC[C@H]2COCCN2)cc1 ZINC000259009925 975397675 /nfs/dbraw/zinc/39/76/75/975397675.db2.gz XGQYHLWUPJSMAV-AWEZNQCLSA-N 0 1 234.343 2.039 20 0 BEADMN CC(C)N(CCCO)Cc1ccncc1Cl ZINC000084087769 975399165 /nfs/dbraw/zinc/39/91/65/975399165.db2.gz SIEQITPARFUWDE-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN O=C(NCCCCC1CC1)c1[nH]nc2c1CCC2 ZINC001333103788 975421741 /nfs/dbraw/zinc/42/17/41/975421741.db2.gz GXRWZIKYLHOBJY-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H](Oc1ncnc2nc[nH]c21)C1CCCC1 ZINC001227535040 975519978 /nfs/dbraw/zinc/51/99/78/975519978.db2.gz QOVCDZIOHVJXIR-MRVPVSSYSA-N 0 1 232.287 2.310 20 0 BEADMN CC[C@@H](Oc1ncnc2nc[nH]c21)C(C)C ZINC001227536542 975520516 /nfs/dbraw/zinc/52/05/16/975520516.db2.gz ZYNZWYCWXXRFSB-MRVPVSSYSA-N 0 1 220.276 2.166 20 0 BEADMN CCCCCCN1CCc2cc(C(N)=O)[nH]c2C1 ZINC001277219963 975547016 /nfs/dbraw/zinc/54/70/16/975547016.db2.gz OBMOGYVADPOOSU-UHFFFAOYSA-N 0 1 249.358 2.052 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)CC(C)C ZINC001227597848 975571340 /nfs/dbraw/zinc/57/13/40/975571340.db2.gz DJPDKWKJMHRTDR-SSDOTTSWSA-N 0 1 227.333 2.282 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCCC[C@H]1F ZINC001227602317 975578650 /nfs/dbraw/zinc/57/86/50/975578650.db2.gz SGOMIOVLXBPEGK-SFYZADRCSA-N 0 1 243.307 2.128 20 0 BEADMN CCc1ccccc1OCC[N@H+]1CC[C@@H](OC)C1 ZINC001227681596 975602783 /nfs/dbraw/zinc/60/27/83/975602783.db2.gz LNMSNXPAXLSSFX-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN CCC(CC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713353 975635119 /nfs/dbraw/zinc/63/51/19/975635119.db2.gz NMYFIJYDMWPWJD-ZETCQYMHSA-N 0 1 238.287 2.341 20 0 BEADMN CN(C)c1nc(=O)cc(Nc2ccc(F)cc2)[nH]1 ZINC001173798489 975643259 /nfs/dbraw/zinc/64/32/59/975643259.db2.gz AROWKTMIPWMMER-UHFFFAOYSA-N 0 1 248.261 2.131 20 0 BEADMN CCN1CCC[C@H](Oc2ccsn2)C1 ZINC001227733958 975658468 /nfs/dbraw/zinc/65/84/68/975658468.db2.gz IOTOCJIVUAADAX-VIFPVBQESA-N 0 1 212.318 2.006 20 0 BEADMN COc1ccc(Nc2cncn2C)cc1 ZINC001173805307 975696142 /nfs/dbraw/zinc/69/61/42/975696142.db2.gz VQXQSYFAIBBBPN-UHFFFAOYSA-N 0 1 203.245 2.172 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1 ZINC001227805901 975701465 /nfs/dbraw/zinc/70/14/65/975701465.db2.gz BPDVVERKTRFOBD-QXFUBDJGSA-N 0 1 245.282 2.231 20 0 BEADMN C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)C1CCC1 ZINC001227806879 975714287 /nfs/dbraw/zinc/71/42/87/975714287.db2.gz PCGPVGKPBCVOST-SSDOTTSWSA-N 0 1 233.271 2.231 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccns1 ZINC001333409106 975752240 /nfs/dbraw/zinc/75/22/40/975752240.db2.gz GKWQONMFYLZSEA-UHFFFAOYSA-N 0 1 236.300 2.071 20 0 BEADMN c1cn2cc(Nc3cccnc3)ccc2n1 ZINC001173854861 975769080 /nfs/dbraw/zinc/76/90/80/975769080.db2.gz ZKVCAZRSPQAUKI-UHFFFAOYSA-N 0 1 210.240 2.473 20 0 BEADMN CCCCC1(C(=O)Nc2nnc(CC)[nH]2)CC1 ZINC001333451434 975789128 /nfs/dbraw/zinc/78/91/28/975789128.db2.gz GPVWGPQSHOULKN-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCCCC1(C(=O)Nc2nc(CC)n[nH]2)CC1 ZINC001333451434 975789143 /nfs/dbraw/zinc/78/91/43/975789143.db2.gz GPVWGPQSHOULKN-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCN1CCC[C@@H](Oc2cnccc2C(C)=O)C1 ZINC001228038433 975864045 /nfs/dbraw/zinc/86/40/45/975864045.db2.gz BXLNCLYBHDJLSU-GFCCVEGCSA-N 0 1 248.326 2.147 20 0 BEADMN COc1ccccc1Nc1cncn1C ZINC001173838727 975872186 /nfs/dbraw/zinc/87/21/86/975872186.db2.gz XFNGMYHODCANOI-UHFFFAOYSA-N 0 1 203.245 2.172 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ncco1 ZINC001333616749 975895382 /nfs/dbraw/zinc/89/53/82/975895382.db2.gz OBFFGMWEYMULCD-LURQLKTLSA-N 0 1 228.242 2.369 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)OCCO2 ZINC001173877580 975910473 /nfs/dbraw/zinc/91/04/73/975910473.db2.gz QRCRIFJGEQKIKF-UHFFFAOYSA-N 0 1 245.282 2.243 20 0 BEADMN CC(C)(C)c1nnc(Nc2ccncc2)s1 ZINC001173879468 975913893 /nfs/dbraw/zinc/91/38/93/975913893.db2.gz PMWNLCCLJKGCGZ-UHFFFAOYSA-N 0 1 234.328 2.396 20 0 BEADMN c1c(-c2ccccn2)noc1Nc1ccncc1 ZINC001173881390 975921054 /nfs/dbraw/zinc/92/10/54/975921054.db2.gz PSZPWNAEFNKSSK-UHFFFAOYSA-N 0 1 238.250 2.297 20 0 BEADMN Cc1cc(Nc2ccncc2)ccc1O ZINC001173882434 975928441 /nfs/dbraw/zinc/92/84/41/975928441.db2.gz KCQAXNCNEKVZNR-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN C[C@@H](O)c1cccc(Nc2ccncc2)c1 ZINC001173882752 975947921 /nfs/dbraw/zinc/94/79/21/975947921.db2.gz RHZPBPAUUFTEGU-SNVBAGLBSA-N 0 1 214.268 2.300 20 0 BEADMN c1cc(Nc2ccc3c(c2)COC3)ccn1 ZINC001173882881 975948718 /nfs/dbraw/zinc/94/87/18/975948718.db2.gz ZVGLAQPSCWVPPA-UHFFFAOYSA-N 0 1 212.252 2.277 20 0 BEADMN C[C@@H](O)c1ccc(Nc2ccncc2)cc1 ZINC001173883852 975952636 /nfs/dbraw/zinc/95/26/36/975952636.db2.gz XGJXPWRZDSLPQG-SNVBAGLBSA-N 0 1 214.268 2.300 20 0 BEADMN COC(=O)c1cccc(C)c1Nc1ccncc1 ZINC001173883786 975953556 /nfs/dbraw/zinc/95/35/56/975953556.db2.gz SNPSLEQYIIMDPS-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN c1cc(Nc2ccc3c(c2)CCO3)ccn1 ZINC001173883326 975956702 /nfs/dbraw/zinc/95/67/02/975956702.db2.gz MXQSFMWRYVAEKC-UHFFFAOYSA-N 0 1 212.252 2.182 20 0 BEADMN COC(=O)c1cc(Nc2ccncc2)ccc1C ZINC001173883474 975959075 /nfs/dbraw/zinc/95/90/75/975959075.db2.gz KKNFTKPGBWMGCB-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN COC(=O)c1cc(Nc2ccncc2)ccc1F ZINC001173883805 975959572 /nfs/dbraw/zinc/95/95/72/975959572.db2.gz UGVHIHNGMKUVGW-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN COC(=O)c1cc(F)ccc1Nc1ccncc1 ZINC001173883626 975959679 /nfs/dbraw/zinc/95/96/79/975959679.db2.gz VGWOVTGIEBTRRN-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN CC(=O)c1ccc(Nc2ccncc2)cc1O ZINC001173883689 975960468 /nfs/dbraw/zinc/96/04/68/975960468.db2.gz QRGVEJQXAHYTHD-UHFFFAOYSA-N 0 1 228.251 2.155 20 0 BEADMN Cc1nn(C)c2ccc(Nc3ccncc3)cc12 ZINC001173883736 975961535 /nfs/dbraw/zinc/96/15/35/975961535.db2.gz YVNXIBIMCYNYFS-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN Cc1cc(O)cc(Nc2ccncc2)c1 ZINC001173884236 975967733 /nfs/dbraw/zinc/96/77/33/975967733.db2.gz DPFBYXLQCOIEQR-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1cnccc1N ZINC001333671082 975969364 /nfs/dbraw/zinc/96/93/64/975969364.db2.gz YIPZNNTUPDPNPC-JTQLQIEISA-N 0 1 235.331 2.050 20 0 BEADMN OCc1ccc(Nc2ccncc2)cc1Cl ZINC001173884395 975970341 /nfs/dbraw/zinc/97/03/41/975970341.db2.gz HENYXBXJSQXAFE-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN OCc1ccc(Cl)c(Nc2ccncc2)c1 ZINC001173884600 975973730 /nfs/dbraw/zinc/97/37/30/975973730.db2.gz MQMTUQAWWILXGS-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN CC(=O)Oc1ccc(F)c(Nc2ccncc2)c1 ZINC001173884503 975974177 /nfs/dbraw/zinc/97/41/77/975974177.db2.gz RCBHECHWWGFXKA-UHFFFAOYSA-N 0 1 246.241 2.312 20 0 BEADMN CC(=O)OC[C@H](C)N[C@H](C)c1cc(C)oc1C ZINC001333706067 976015741 /nfs/dbraw/zinc/01/57/41/976015741.db2.gz DLMIENAWCGHOHO-WCBMZHEXSA-N 0 1 239.315 2.499 20 0 BEADMN COc1nc(Nc2ccc(F)cc2C)cc(=O)[nH]1 ZINC001173965832 976018539 /nfs/dbraw/zinc/01/85/39/976018539.db2.gz IDHVEVZTZMKDHN-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN Nc1ccnc(CNC(=O)CC2CCCCC2)c1 ZINC001333749863 976061244 /nfs/dbraw/zinc/06/12/44/976061244.db2.gz LECGKQFATMRLMA-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN Cc1nc2ccc(O[C@H]3COC[C@@H]3C)cc2[nH]1 ZINC001228327255 976119887 /nfs/dbraw/zinc/11/98/87/976119887.db2.gz QAQOFGSLRZXZIQ-SDBXPKJASA-N 0 1 232.283 2.285 20 0 BEADMN COc1ccc(C)cc1Nc1nnco1 ZINC001173982895 976121607 /nfs/dbraw/zinc/12/16/07/976121607.db2.gz ROKHEURYMVTEBD-UHFFFAOYSA-N 0 1 205.217 2.130 20 0 BEADMN Cc1nc2ccc(OC3CC4(COC4)C3)cc2[nH]1 ZINC001228327930 976123385 /nfs/dbraw/zinc/12/33/85/976123385.db2.gz YJRGDCLUXTVFEG-UHFFFAOYSA-N 0 1 244.294 2.429 20 0 BEADMN O=c1cc(N=C2CCCC2)nc(Cl)[nH]1 ZINC001173997543 976138425 /nfs/dbraw/zinc/13/84/25/976138425.db2.gz NJDFUJFWPKUDAV-UHFFFAOYSA-N 0 1 211.652 2.315 20 0 BEADMN CCOC(=O)Cc1ncc(NC2=CCCC2)cn1 ZINC001174000166 976164230 /nfs/dbraw/zinc/16/42/30/976164230.db2.gz YRVDHNBAFIPKAH-UHFFFAOYSA-N 0 1 247.298 2.062 20 0 BEADMN C[C@H](Oc1nc(O)cc(=O)[nH]1)c1cccs1 ZINC001228390106 976186074 /nfs/dbraw/zinc/18/60/74/976186074.db2.gz JLEJJICMJZDVLF-LURJTMIESA-N 0 1 238.268 2.089 20 0 BEADMN CC[C@@H](Oc1nc(O)cc(=O)[nH]1)c1ccccc1 ZINC001228390292 976186218 /nfs/dbraw/zinc/18/62/18/976186218.db2.gz JPKOQQIQDMVPPS-SNVBAGLBSA-N 0 1 246.266 2.418 20 0 BEADMN CC/C=C(\C)[C@H](CC)Oc1nc(O)cc(=O)[nH]1 ZINC001228392528 976188954 /nfs/dbraw/zinc/18/89/54/976188954.db2.gz SGOGUSLPVHUSEP-ORZBULNSSA-N 0 1 238.287 2.402 20 0 BEADMN CC/C=C(\C)[C@@H](CC)Oc1nc(O)cc(=O)[nH]1 ZINC001228392524 976191237 /nfs/dbraw/zinc/19/12/37/976191237.db2.gz SGOGUSLPVHUSEP-BNICOGTQSA-N 0 1 238.287 2.402 20 0 BEADMN COc1cc(F)ccc1Nc1cncn1C ZINC001174129086 976361900 /nfs/dbraw/zinc/36/19/00/976361900.db2.gz YKYLQZWSQHHCFT-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN Cn1cncc1Nc1cccc(CO)c1Cl ZINC001212761872 976376766 /nfs/dbraw/zinc/37/67/66/976376766.db2.gz YWOQQSUZIRTOSD-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN CC[C@@H](C)c1nn(C)cc1CN1CC(C)C1 ZINC001249402862 976382912 /nfs/dbraw/zinc/38/29/12/976382912.db2.gz UJNSWGKGZCSMOW-LLVKDONJSA-N 0 1 221.348 2.385 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)C1CC1 ZINC001228663487 976421964 /nfs/dbraw/zinc/42/19/64/976421964.db2.gz DXSVOLQSQJMHGY-ZETCQYMHSA-N 0 1 203.245 2.135 20 0 BEADMN Cc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cn1 ZINC001174281707 976437552 /nfs/dbraw/zinc/43/75/52/976437552.db2.gz KUNSPPKAQPTYHF-UHFFFAOYSA-N 0 1 236.662 2.283 20 0 BEADMN Cn1ncc(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC000847091667 1170001746 /nfs/dbraw/zinc/00/17/46/1170001746.db2.gz ILZUVJNBLOHKLO-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN Cc1nonc1[C@H](C)NCCCC(F)F ZINC001334409302 976486028 /nfs/dbraw/zinc/48/60/28/976486028.db2.gz FOWBBSQCDFDATA-LURJTMIESA-N 0 1 219.235 2.074 20 0 BEADMN Cn1cncc1Nc1cccc(-n2cccn2)c1 ZINC001174299515 976491678 /nfs/dbraw/zinc/49/16/78/976491678.db2.gz KCOHWMKQZOECKN-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN COc1cc(Nc2ccc3nccn3c2)ccn1 ZINC001174275730 976498603 /nfs/dbraw/zinc/49/86/03/976498603.db2.gz FQNLRBWIJSXNJH-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2n[nH]cc2c1 ZINC001174275308 976501064 /nfs/dbraw/zinc/50/10/64/976501064.db2.gz SMACAJVLJFEZPS-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@]2(C)C=CCC2)n1 ZINC001334429771 976512469 /nfs/dbraw/zinc/51/24/69/976512469.db2.gz QKSQVUSRXWZTEV-LBPRGKRZSA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC001334429771 976512482 /nfs/dbraw/zinc/51/24/82/976512482.db2.gz QKSQVUSRXWZTEV-LBPRGKRZSA-N 0 1 234.303 2.223 20 0 BEADMN COc1ccc(Nc2cccc3[nH]ncc32)nn1 ZINC001174342770 976565087 /nfs/dbraw/zinc/56/50/87/976565087.db2.gz MYYJUXHBMSJSGE-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1ncc(Nc2cccc3[nH]ncc32)c(=O)[nH]1 ZINC001174344874 976569167 /nfs/dbraw/zinc/56/91/67/976569167.db2.gz RMHUOQDWMUWVNU-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1cncnc1Nc1cccc2[nH]ncc21 ZINC001174344908 976572306 /nfs/dbraw/zinc/57/23/06/976572306.db2.gz SXJMFOQPDMBTGO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CC[C@H](Oc1nc(OC)cc(=O)[nH]1)C(C)(C)C ZINC001228918056 976577755 /nfs/dbraw/zinc/57/77/55/976577755.db2.gz LASZQHKNEJUOLK-QMMMGPOBSA-N 0 1 240.303 2.394 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918359 976580599 /nfs/dbraw/zinc/58/05/99/976580599.db2.gz OWNQUAJWMKNALW-JGVFFNPUSA-N 0 1 226.276 2.004 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918361 976580795 /nfs/dbraw/zinc/58/07/95/976580795.db2.gz OWNQUAJWMKNALW-YUMQZZPRSA-N 0 1 226.276 2.004 20 0 BEADMN CC[C@@H](Oc1nc(OC)cc(=O)[nH]1)C(C)C ZINC001228918049 976581007 /nfs/dbraw/zinc/58/10/07/976581007.db2.gz KOZNBJKLNAYIMF-MRVPVSSYSA-N 0 1 226.276 2.004 20 0 BEADMN C1=CO[C@@H](COc2nnc3c[nH]ccc2-3)CC1 ZINC001228997271 976626200 /nfs/dbraw/zinc/62/62/00/976626200.db2.gz XZCXAXPLKYGSAW-SECBINFHSA-N 0 1 231.255 2.029 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1cccnc1 ZINC001228997389 976630643 /nfs/dbraw/zinc/63/06/43/976630643.db2.gz ZZDJKJRRIHWQHL-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN Cc1ncccc1C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC001334792609 976673561 /nfs/dbraw/zinc/67/35/61/976673561.db2.gz ADVLHJSBKPGYHQ-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ncn(C)c1Nc1ccnc2[nH]ccc21 ZINC001174410246 976695712 /nfs/dbraw/zinc/69/57/12/976695712.db2.gz QAHHASLSOGYGGT-UHFFFAOYSA-N 0 1 227.271 2.300 20 0 BEADMN Nc1nc2ccccc2n1-c1ccnc2[nH]ccc21 ZINC001174409727 976699256 /nfs/dbraw/zinc/69/92/56/976699256.db2.gz VQFMVTCJDIBUKG-UHFFFAOYSA-N 0 1 249.277 2.436 20 0 BEADMN CC(C)CCn1cc(Nc2ccncc2)cn1 ZINC001174412863 976706004 /nfs/dbraw/zinc/70/60/04/976706004.db2.gz REBVDUVMBXSRLJ-UHFFFAOYSA-N 0 1 230.315 2.490 20 0 BEADMN Cc1ncc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174498115 976721775 /nfs/dbraw/zinc/72/17/75/976721775.db2.gz VPDHBLKUHCNSBB-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN OCc1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174499304 976725432 /nfs/dbraw/zinc/72/54/32/976725432.db2.gz RSEMXISNVAFCLG-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN CCC[C@@H](Oc1[nH]c(=O)[nH]c(=O)c1F)C(C)C ZINC001229123565 976762159 /nfs/dbraw/zinc/76/21/59/976762159.db2.gz DFIBEFLNSNAIRT-SSDOTTSWSA-N 0 1 244.266 2.230 20 0 BEADMN c1n[nH]c2cc(Nc3cnccn3)ccc12 ZINC001174499838 976768307 /nfs/dbraw/zinc/76/83/07/976768307.db2.gz ZKEBUZNQZVGDNU-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Cc1ncn(-c2ccc(N3CCCC3)cc2)c1N ZINC001174526406 976807827 /nfs/dbraw/zinc/80/78/27/976807827.db2.gz MLXBMOQKCVZNKP-UHFFFAOYSA-N 0 1 242.326 2.363 20 0 BEADMN C/C(=C\C[N@@H+]1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000696414779 976811769 /nfs/dbraw/zinc/81/17/69/976811769.db2.gz GCSCTLSNQWDEMC-IPQKIJNHSA-N 0 1 233.258 2.137 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000697595240 976851804 /nfs/dbraw/zinc/85/18/04/976851804.db2.gz ZKQVQFFLIAOJAI-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN Nc1ccnc(CN2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001335133560 976859187 /nfs/dbraw/zinc/85/91/87/976859187.db2.gz LKKBTKMIEFBJIT-NEPJUHHUSA-N 0 1 246.358 2.071 20 0 BEADMN Nc1cncn1-c1cccc(C(F)F)c1 ZINC001174619007 976890794 /nfs/dbraw/zinc/89/07/94/976890794.db2.gz IXFSCWDTIDGRFF-UHFFFAOYSA-N 0 1 209.199 2.392 20 0 BEADMN Cn1cncc1Nc1cc(F)ccc1O ZINC001174625709 976894776 /nfs/dbraw/zinc/89/47/76/976894776.db2.gz JRPGOZQEPKYEOD-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Nc1nc2ccccc2n1-c1cc(F)ccc1O ZINC001174627245 976897338 /nfs/dbraw/zinc/89/73/38/976897338.db2.gz QSMPKFLOOGUDEX-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Cn1cncc1Nc1cnn([C@H]2CCCCO2)c1 ZINC001174598973 976917506 /nfs/dbraw/zinc/91/75/06/976917506.db2.gz OBDKMKPFEGOGFB-GFCCVEGCSA-N 0 1 247.302 2.059 20 0 BEADMN COc1ccc2nc(OC(C)C)[nH]c2c1 ZINC001229726809 976968230 /nfs/dbraw/zinc/96/82/30/976968230.db2.gz LBGIJWOFWDHCEC-UHFFFAOYSA-N 0 1 206.245 2.359 20 0 BEADMN Nc1cncn1-c1ccc(C(F)(F)F)cc1 ZINC001174771772 976993304 /nfs/dbraw/zinc/99/33/04/976993304.db2.gz LVWLVEYGKVTFJG-UHFFFAOYSA-N 0 1 227.189 2.473 20 0 BEADMN C=CNc1c(F)cccc1N1CCN(C)CC1 ZINC001174786904 977017072 /nfs/dbraw/zinc/01/70/72/977017072.db2.gz HLDZAWSFTDXHGC-UHFFFAOYSA-N 0 1 235.306 2.133 20 0 BEADMN Cc1cncc(-n2c(N)nc3ccccc32)c1 ZINC001174754990 977054718 /nfs/dbraw/zinc/05/47/18/977054718.db2.gz FDPKHVPKBFDIIR-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1Cl ZINC001230013335 977061210 /nfs/dbraw/zinc/06/12/10/977061210.db2.gz HFDNSZIWHZYHGW-XLPZGREQSA-N 0 1 240.690 2.403 20 0 BEADMN O=c1[nH]cnc(OC2CC(F)(F)C2)c1Cl ZINC001230015282 977064056 /nfs/dbraw/zinc/06/40/56/977064056.db2.gz VELRBWCOAYSZID-UHFFFAOYSA-N 0 1 236.605 2.012 20 0 BEADMN CCCOC[C@@H](C)Oc1nc[nH]c(=O)c1Cl ZINC001230014818 977065061 /nfs/dbraw/zinc/06/50/61/977065061.db2.gz QNHZHHUOOWTIRT-SSDOTTSWSA-N 0 1 246.694 2.030 20 0 BEADMN CC(C)Oc1ccc(Nc2cncn2C)cn1 ZINC001174760029 977068662 /nfs/dbraw/zinc/06/86/62/977068662.db2.gz QPAZQWZVDIPYDQ-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H](C)C3(CCC3)C2)n1 ZINC001335466716 977079316 /nfs/dbraw/zinc/07/93/16/977079316.db2.gz PHSKMWSXLFCVFU-JTQLQIEISA-N 0 1 246.358 2.384 20 0 BEADMN COc1nc(Nc2cc(F)ccc2C)cc(=O)[nH]1 ZINC001174884606 977111115 /nfs/dbraw/zinc/11/11/15/977111115.db2.gz QUGNQRHQWRJFHO-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN COCn1ncc(C)c1CN1CCC(C)=C(C)C1 ZINC001335527410 977120205 /nfs/dbraw/zinc/12/02/05/977120205.db2.gz MQGIBOCVKYZMAC-UHFFFAOYSA-N 0 1 249.358 2.338 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)[C@H]1CCN1C1CCCC1 ZINC001330854406 977121198 /nfs/dbraw/zinc/12/11/98/977121198.db2.gz SGWOQQDECUHBRU-TZMCWYRMSA-N 0 1 248.370 2.228 20 0 BEADMN CC[C@H](CC(F)F)CN1CCn2nccc2C1 ZINC001174863692 977130350 /nfs/dbraw/zinc/13/03/50/977130350.db2.gz SGIOFIYTSPUKAL-SNVBAGLBSA-N 0 1 243.301 2.380 20 0 BEADMN CC(=O)[C@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230224913 977132749 /nfs/dbraw/zinc/13/27/49/977132749.db2.gz CFNSITPWMXSAII-VIFPVBQESA-N 0 1 218.256 2.228 20 0 BEADMN CO[C@@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1F ZINC001249456065 977147549 /nfs/dbraw/zinc/14/75/49/977147549.db2.gz BDHFOONVAXUEMA-LSDHHAIUSA-N 0 1 249.329 2.344 20 0 BEADMN CCC[C@H](Oc1nc(C(=O)OC)c[nH]1)C(C)C ZINC001230282400 977156863 /nfs/dbraw/zinc/15/68/63/977156863.db2.gz UQOBKZKBVWUQAL-JTQLQIEISA-N 0 1 240.303 2.400 20 0 BEADMN Nc1cncn1-c1cccc2ncccc21 ZINC001174906265 977157566 /nfs/dbraw/zinc/15/75/66/977157566.db2.gz HNXYBYPJGQNURW-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Cc1ncn(-c2cccc3ncccc32)c1N ZINC001174906022 977159573 /nfs/dbraw/zinc/15/95/73/977159573.db2.gz BWCDEARQBYEING-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCCC[C@@H](C)Oc1nc(C(=O)OC)c[nH]1 ZINC001230280397 977160860 /nfs/dbraw/zinc/16/08/60/977160860.db2.gz RVHKYPYWIWAELI-MRVPVSSYSA-N 0 1 226.276 2.154 20 0 BEADMN O=c1ccoc2ccc(Nc3ccncc3)cc12 ZINC001174939956 977176922 /nfs/dbraw/zinc/17/69/22/977176922.db2.gz UOWZGPTYDXZVTE-UHFFFAOYSA-N 0 1 238.246 2.354 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC001335634339 977198760 /nfs/dbraw/zinc/19/87/60/977198760.db2.gz MTVQHAQNVTZHKF-PHIMTYICSA-N 0 1 247.342 2.405 20 0 BEADMN CO[C@H]1CCCN([C@H](C)c2ncccn2)CC1 ZINC001335745120 977257979 /nfs/dbraw/zinc/25/79/79/977257979.db2.gz JZTYRQYALYHLFI-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN CCOc1ccc(C)cc1Nc1nonc1N ZINC001175123369 977280035 /nfs/dbraw/zinc/28/00/35/977280035.db2.gz SHBDXPVRAGGQGV-UHFFFAOYSA-N 0 1 234.259 2.103 20 0 BEADMN CCN1CCC[C@H](Oc2ccc(C)nc2F)C1 ZINC001230707200 977303287 /nfs/dbraw/zinc/30/32/87/977303287.db2.gz DASQJGCEISCCJN-NSHDSACASA-N 0 1 238.306 2.392 20 0 BEADMN COc1nonc1Nc1ccccc1C(C)=O ZINC001175174412 977323485 /nfs/dbraw/zinc/32/34/85/977323485.db2.gz GATCYVIAZFAIEG-UHFFFAOYSA-N 0 1 233.227 2.024 20 0 BEADMN CC(C)=CCN1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230799156 977336145 /nfs/dbraw/zinc/33/61/45/977336145.db2.gz YWEQMVJZICIRQW-CYBMUJFWSA-N 0 1 238.375 2.141 20 0 BEADMN CCOc1cccc(-n2cnc(C)c2N)c1F ZINC001175236899 977338772 /nfs/dbraw/zinc/33/87/72/977338772.db2.gz VPSJUGOFAWCIFO-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN Oc1ccc(F)c(Nc2ccncc2)c1F ZINC001175261620 977359312 /nfs/dbraw/zinc/35/93/12/977359312.db2.gz OUPJHJGSMSKXLP-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN Cn1cncc1Nc1c(F)ccc(O)c1F ZINC001175264211 977360638 /nfs/dbraw/zinc/36/06/38/977360638.db2.gz UUCPSBXIKCRHHF-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN C[C@H](Oc1nncc2n[nH]cc21)c1ccccc1 ZINC001230894715 977361008 /nfs/dbraw/zinc/36/10/08/977361008.db2.gz BGJNYTXBBPYWMA-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN Oc1ccc(F)c(Nc2cnns2)c1F ZINC001175263571 977362262 /nfs/dbraw/zinc/36/22/62/977362262.db2.gz LAIFLCPICDOETA-UHFFFAOYSA-N 0 1 229.211 2.266 20 0 BEADMN F[C@@H]1CCCC[C@@H]1Oc1nncc2n[nH]cc21 ZINC001230901294 977374780 /nfs/dbraw/zinc/37/47/80/977374780.db2.gz PHHDIXHJIZRNEP-SCZZXKLOSA-N 0 1 236.250 2.012 20 0 BEADMN c1cnc2cc(Nc3ccncc3)cnc2c1 ZINC001175354878 977393253 /nfs/dbraw/zinc/39/32/53/977393253.db2.gz OAUWAYLNZYPBNU-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN Cc1c2c[nH]nc2ccc1-n1cccc1N ZINC001175464853 977434594 /nfs/dbraw/zinc/43/45/94/977434594.db2.gz DZIZRZYFSFKAKP-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2cn(C)nc21 ZINC001175460835 977471969 /nfs/dbraw/zinc/47/19/69/977471969.db2.gz ZMCQPHNTBPFYMA-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cn[nH]c(=O)c1 ZINC001175523533 977506289 /nfs/dbraw/zinc/50/62/89/977506289.db2.gz KMERWBHXZANPJX-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN CN1CCC=C(Nc2cc(F)cc(F)c2O)C1 ZINC001175583048 977516146 /nfs/dbraw/zinc/51/61/46/977516146.db2.gz XWACBANOMUKENA-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179552 977524045 /nfs/dbraw/zinc/52/40/45/977524045.db2.gz UBBGJLXZMBSNBL-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cncc([C@@H]2CCCN2CC2=NOCC2)c1 ZINC001175552304 977527007 /nfs/dbraw/zinc/52/70/07/977527007.db2.gz SLOMAMPMMIAEMD-AWEZNQCLSA-N 0 1 245.326 2.303 20 0 BEADMN CS[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001594185635 977540166 /nfs/dbraw/zinc/54/01/66/977540166.db2.gz ONPAGBRIUYRNCC-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CCC[C@H]1CCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC001336165096 977548658 /nfs/dbraw/zinc/54/86/58/977548658.db2.gz SVBBTFRGPWGTGL-ZDUSSCGKSA-N 0 1 238.375 2.262 20 0 BEADMN CCC[C@H]1CCCN1C(=O)CN(CC)C1CC1 ZINC001336165096 977548668 /nfs/dbraw/zinc/54/86/68/977548668.db2.gz SVBBTFRGPWGTGL-ZDUSSCGKSA-N 0 1 238.375 2.262 20 0 BEADMN COc1ccc(N=CCC(C)(C)C)nn1 ZINC001175569428 977558177 /nfs/dbraw/zinc/55/81/77/977558177.db2.gz QFNQRSUODUYNCT-BQYQJAHWSA-N 0 1 207.277 2.457 20 0 BEADMN CCC=C(F)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001336202058 977561741 /nfs/dbraw/zinc/56/17/41/977561741.db2.gz PBWJRLQWHRJRSX-XBXARRHUSA-N 0 1 248.261 2.468 20 0 BEADMN COc1cc(NC2=CCCN(C)C2)cc(OC)c1 ZINC001175576226 977581912 /nfs/dbraw/zinc/58/19/12/977581912.db2.gz GVJWOAJYPXYVBJ-UHFFFAOYSA-N 0 1 248.326 2.335 20 0 BEADMN CCOc1ncccc1NC1=CCCN(C)C1 ZINC001175577259 977591344 /nfs/dbraw/zinc/59/13/44/977591344.db2.gz PLOWYCYPNSJGCK-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN COC(=O)c1ccccc1NC1=CCCN(C)C1 ZINC001175578182 977594961 /nfs/dbraw/zinc/59/49/61/977594961.db2.gz FGPIHLRBPKUDHV-UHFFFAOYSA-N 0 1 246.310 2.105 20 0 BEADMN CN1CCCC(=Nc2c(F)cc(O)cc2F)C1 ZINC001175578519 977595063 /nfs/dbraw/zinc/59/50/63/977595063.db2.gz LJXZZRFQZCVORW-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001231461939 977595435 /nfs/dbraw/zinc/59/54/35/977595435.db2.gz AVNDWSVIHQRWMJ-SFYZADRCSA-N 0 1 243.303 2.379 20 0 BEADMN CN1CCC=C(Nc2cc(N)ccc2F)C1 ZINC001175580357 977599428 /nfs/dbraw/zinc/59/94/28/977599428.db2.gz MPIXASLLDURXMX-UHFFFAOYSA-N 0 1 221.279 2.039 20 0 BEADMN CN1CCC=C(Nc2cc(F)c(F)cc2O)C1 ZINC001175580800 977601564 /nfs/dbraw/zinc/60/15/64/977601564.db2.gz UQGLXWROEZGAEV-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN c1[nH]c2cccnc2c1CN1CCSCC1 ZINC001231487746 977605486 /nfs/dbraw/zinc/60/54/86/977605486.db2.gz QAYPBFMNCPZEIX-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2c[nH]nc21 ZINC001175636071 977605831 /nfs/dbraw/zinc/60/58/31/977605831.db2.gz XKNJSOAPZHIPLD-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCc1ccc(CN2CC3(CC(O)C3)C2)s1 ZINC001231498682 977614260 /nfs/dbraw/zinc/61/42/60/977614260.db2.gz CTPBAINCXHPTNU-UHFFFAOYSA-N 0 1 237.368 2.267 20 0 BEADMN Cc1n[nH]c2ccc(Nc3cncn3C)cc12 ZINC001175693525 977621654 /nfs/dbraw/zinc/62/16/54/977621654.db2.gz BWSQAJPYXIJHJN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cncn3C)cc12 ZINC001175693525 977621658 /nfs/dbraw/zinc/62/16/58/977621658.db2.gz BWSQAJPYXIJHJN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN c1[nH]c2cnccc2c1CN1CC2(CSC2)C1 ZINC001231519864 977622943 /nfs/dbraw/zinc/62/29/43/977622943.db2.gz KRJKPJCAALPLFF-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cnccc23)[C@@H](C)CO1 ZINC001231520245 977623277 /nfs/dbraw/zinc/62/32/77/977623277.db2.gz QOGQBFXDZDPZRK-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN CC[C@@H]1COCCN1Cc1c[nH]c2cnccc12 ZINC001231522233 977628053 /nfs/dbraw/zinc/62/80/53/977628053.db2.gz VJJKEESDMUHHKX-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN Nc1cncn1-c1ccc2ccncc2c1 ZINC001175702495 977635644 /nfs/dbraw/zinc/63/56/44/977635644.db2.gz UMXLXYPPJQSJIY-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Cc1[nH]nc2cc(Nc3ccn[nH]c3=O)ccc12 ZINC001175659708 977636377 /nfs/dbraw/zinc/63/63/77/977636377.db2.gz GQQRJJUJLKCFJX-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cncnc3)cc21 ZINC001175692768 977662103 /nfs/dbraw/zinc/66/21/03/977662103.db2.gz IZMXQGPIKXOLTI-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]2C)cn1 ZINC001231650380 977664090 /nfs/dbraw/zinc/66/40/90/977664090.db2.gz ZFCYISGTRFUGFO-JTQLQIEISA-N 0 1 206.289 2.075 20 0 BEADMN CCOc1ccc(Nc2ccnc(CO)c2)cn1 ZINC001175740930 977676088 /nfs/dbraw/zinc/67/60/88/977676088.db2.gz USPRIVLBKXDKHH-UHFFFAOYSA-N 0 1 245.282 2.111 20 0 BEADMN Cc1ccc(O)c(C[N@H+](C)C2CC(F)(F)C2)n1 ZINC001231669648 977682029 /nfs/dbraw/zinc/68/20/29/977682029.db2.gz MQONZNAOSVKVQJ-UHFFFAOYSA-N 0 1 242.269 2.325 20 0 BEADMN Cc1ccc(O)c(CN(C)C2CC(F)(F)C2)n1 ZINC001231669648 977682041 /nfs/dbraw/zinc/68/20/41/977682041.db2.gz MQONZNAOSVKVQJ-UHFFFAOYSA-N 0 1 242.269 2.325 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H](F)CC2)n1 ZINC001231669590 977683511 /nfs/dbraw/zinc/68/35/11/977683511.db2.gz KUDFHBHNEPJLSL-LLVKDONJSA-N 0 1 238.306 2.420 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCc1cc(N)ccn1 ZINC001330985900 977689184 /nfs/dbraw/zinc/68/91/84/977689184.db2.gz YLHWKCRVJXGOQI-SNVBAGLBSA-N 0 1 249.358 2.352 20 0 BEADMN CC[C@H](C)C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001277554524 977716170 /nfs/dbraw/zinc/71/61/70/977716170.db2.gz AJTSOBFMJPYXOW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN [O-]c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC001231731294 977717311 /nfs/dbraw/zinc/71/73/11/977717311.db2.gz LHFCISBGGMBSSC-AOOOYVTPSA-N 0 1 223.703 2.497 20 0 BEADMN Cc1ccc([C@H](C)Nc2nccnc2CN)cc1 ZINC001336485739 977717612 /nfs/dbraw/zinc/71/76/12/977717612.db2.gz JNKXXIDPRTXXMN-NSHDSACASA-N 0 1 242.326 2.417 20 0 BEADMN CCCN(C)Cc1cc(F)cnc1OC ZINC001231741047 977727477 /nfs/dbraw/zinc/72/74/77/977727477.db2.gz PZCSWEJZOFCFIS-UHFFFAOYSA-N 0 1 212.268 2.071 20 0 BEADMN CCOc1ncccc1CN1CC2CC(C2)C1 ZINC001231766151 977745070 /nfs/dbraw/zinc/74/50/70/977745070.db2.gz VRJQLSBDZGGSOL-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1nonc1Nc1cnn(-c2ccccc2)c1 ZINC001175790982 977752040 /nfs/dbraw/zinc/75/20/40/977752040.db2.gz ICSBAJGIPPRDLN-UHFFFAOYSA-N 0 1 241.254 2.307 20 0 BEADMN Nc1nccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC001336532306 977756546 /nfs/dbraw/zinc/75/65/46/977756546.db2.gz PALKCDBPMNMDJR-GARJFASQSA-N 0 1 232.331 2.440 20 0 BEADMN O=c1cc(Nc2ccc(F)cn2)nc(Cl)[nH]1 ZINC001175848161 977767756 /nfs/dbraw/zinc/76/77/56/977767756.db2.gz BHMUWPUUKSJEIZ-UHFFFAOYSA-N 0 1 240.625 2.113 20 0 BEADMN CC(C)C[C@@H]1CCCCN1c1nccnc1CN ZINC001336559838 977779585 /nfs/dbraw/zinc/77/95/85/977779585.db2.gz CWROBLMJBFAJKZ-LBPRGKRZSA-N 0 1 248.374 2.340 20 0 BEADMN Cc1cnc([C@H](C)CNc2ccnc(N)n2)s1 ZINC001336577485 977791194 /nfs/dbraw/zinc/79/11/94/977791194.db2.gz OUKUVKOEERZSFT-SSDOTTSWSA-N 0 1 249.343 2.039 20 0 BEADMN COc1cnc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC001231935745 977804120 /nfs/dbraw/zinc/80/41/20/977804120.db2.gz IYBWDHPWCBHIFJ-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@@H]1CCCN(Cc2cnc(OC)cn2)C1 ZINC001231936249 977808584 /nfs/dbraw/zinc/80/85/84/977808584.db2.gz NRDKPAIZGOONPF-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@H]1CN2CCC1CC2 ZINC001336615294 977812701 /nfs/dbraw/zinc/81/27/01/977812701.db2.gz JTDUGYOXPLXLDF-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN Nc1cncn1-c1ccc2scnc2c1 ZINC001175914802 977815506 /nfs/dbraw/zinc/81/55/06/977815506.db2.gz JJLRCZMNFICLIE-UHFFFAOYSA-N 0 1 216.269 2.064 20 0 BEADMN CCN1CCN(c2cc(Cl)ccn2)[C@@H](C)C1 ZINC001336622549 977817126 /nfs/dbraw/zinc/81/71/26/977817126.db2.gz CKCOCYDWZCUKFD-JTQLQIEISA-N 0 1 239.750 2.265 20 0 BEADMN CC1(C)COCCN1Cc1cccc2c[nH]nc21 ZINC001231972415 977818417 /nfs/dbraw/zinc/81/84/17/977818417.db2.gz JGZGNQWXZLWMFI-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN COC(=O)c1ccccc1CN1CC2CC(C2)C1 ZINC000260716129 977830407 /nfs/dbraw/zinc/83/04/07/977830407.db2.gz CCGCRQGFEPSOQI-UHFFFAOYSA-N 0 1 245.322 2.315 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCOC3)cc(C)n1 ZINC001231998310 977832042 /nfs/dbraw/zinc/83/20/42/977832042.db2.gz WCKLUSAMDVSRRO-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)nc1 ZINC001175995367 977850534 /nfs/dbraw/zinc/85/05/34/977850534.db2.gz BUYOBRJRNKTWRA-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)nc1 ZINC001175995367 977850538 /nfs/dbraw/zinc/85/05/38/977850538.db2.gz BUYOBRJRNKTWRA-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN COc1ccnc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175995419 977852238 /nfs/dbraw/zinc/85/22/38/977852238.db2.gz DGTCSFALKFJYEB-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1ccnc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175995419 977852241 /nfs/dbraw/zinc/85/22/41/977852241.db2.gz DGTCSFALKFJYEB-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CCc1nccnc1Nc1ccc2nn[nH]c2c1 ZINC001175999049 977853892 /nfs/dbraw/zinc/85/38/92/977853892.db2.gz UPYXPCLIMXSIHN-UHFFFAOYSA-N 0 1 240.270 2.054 20 0 BEADMN CCc1nccnc1Nc1ccc2n[nH]nc2c1 ZINC001175999049 977853895 /nfs/dbraw/zinc/85/38/95/977853895.db2.gz UPYXPCLIMXSIHN-UHFFFAOYSA-N 0 1 240.270 2.054 20 0 BEADMN Cc1cncc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175997138 977854441 /nfs/dbraw/zinc/85/44/41/977854441.db2.gz ZUSCZHGCYKXRTC-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cncc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175997138 977854450 /nfs/dbraw/zinc/85/44/50/977854450.db2.gz ZUSCZHGCYKXRTC-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCn1ncc(Nc2ccc3nn[nH]c3c2)c1C ZINC001175999523 977856953 /nfs/dbraw/zinc/85/69/53/977856953.db2.gz YCABISUNGRPHEE-UHFFFAOYSA-N 0 1 242.286 2.226 20 0 BEADMN CCn1ncc(Nc2ccc3n[nH]nc3c2)c1C ZINC001175999523 977856957 /nfs/dbraw/zinc/85/69/57/977856957.db2.gz YCABISUNGRPHEE-UHFFFAOYSA-N 0 1 242.286 2.226 20 0 BEADMN Cc1[nH]nc(CNc2ncnc(C)c2C)c1C ZINC001336701252 977865774 /nfs/dbraw/zinc/86/57/74/977865774.db2.gz LIKWTKUQHOIQQQ-UHFFFAOYSA-N 0 1 231.303 2.045 20 0 BEADMN CNc1ccnc(Cl)c1Nc1ncc[nH]1 ZINC001176078968 977873821 /nfs/dbraw/zinc/87/38/21/977873821.db2.gz DULVOBRCAGBNHM-UHFFFAOYSA-N 0 1 223.667 2.243 20 0 BEADMN CN(C)Cc1cccc(C(F)(F)F)n1 ZINC001232067042 977877153 /nfs/dbraw/zinc/87/71/53/977877153.db2.gz OCXKEWJYNXAWQT-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN CCN(c1ncc[nH]1)c1ccccc1N ZINC001176084191 977883453 /nfs/dbraw/zinc/88/34/53/977883453.db2.gz GBBLAXDGJXDPBS-UHFFFAOYSA-N 0 1 202.261 2.150 20 0 BEADMN Nc1ccc2c(c1)N(c1ncc[nH]1)CCC2 ZINC001176085645 977891830 /nfs/dbraw/zinc/89/18/30/977891830.db2.gz VAPFVMHWQOVNQP-UHFFFAOYSA-N 0 1 214.272 2.076 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@H](C(C)C)C2)n1 ZINC001336751926 977913566 /nfs/dbraw/zinc/91/35/66/977913566.db2.gz YFDCIRASRPGRRH-NSHDSACASA-N 0 1 234.347 2.240 20 0 BEADMN Cc1scnc1CN1CCC[C@H](O)[C@H](C)C1 ZINC001232207473 977913586 /nfs/dbraw/zinc/91/35/86/977913586.db2.gz CHBUZFFOPBSVOA-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN c1nn(CC2CCC2)cc1CN1CC=CCC1 ZINC001336751045 977914277 /nfs/dbraw/zinc/91/42/77/977914277.db2.gz ODVIKETXSBMJNT-UHFFFAOYSA-N 0 1 231.343 2.445 20 0 BEADMN c1cnc(C2CC2)c(NC2=CCOCC2)n1 ZINC001176140026 977916882 /nfs/dbraw/zinc/91/68/82/977916882.db2.gz NLQKUANXTVELMH-UHFFFAOYSA-N 0 1 217.272 2.070 20 0 BEADMN c1cn2cc(NC3=CCOCC3)ccc2n1 ZINC001176140048 977917125 /nfs/dbraw/zinc/91/71/25/977917125.db2.gz OAWNNXCHEKKMCA-UHFFFAOYSA-N 0 1 215.256 2.050 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001595055511 977930543 /nfs/dbraw/zinc/93/05/43/977930543.db2.gz MQFNNOLYFVWYIG-NSHDSACASA-N 0 1 223.247 2.047 20 0 BEADMN Cc1scnc1CN(C)C1CCOCC1 ZINC001232204684 977930772 /nfs/dbraw/zinc/93/07/72/977930772.db2.gz UUDGATOMKAWFHO-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1scnc1CN1CC[C@@H](O)[C@@H](C)CC1 ZINC001232204716 977933054 /nfs/dbraw/zinc/93/30/54/977933054.db2.gz WBQKDEMWGPJWAS-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN Oc1cc(F)c(N=C2CCOCC2)c(F)c1 ZINC001176145885 977933978 /nfs/dbraw/zinc/93/39/78/977933978.db2.gz LPTIPQFIBOLWIA-UHFFFAOYSA-N 0 1 227.210 2.387 20 0 BEADMN Cc1scnc1CN1CC[C@H]2OCC[C@@H]2C1 ZINC001232212401 977946362 /nfs/dbraw/zinc/94/63/62/977946362.db2.gz PWIXUZKUPIJCBE-ZYHUDNBSSA-N 0 1 238.356 2.062 20 0 BEADMN FC[C@@H]1CCCN(Cc2cnsc2)C1 ZINC001232227859 977957523 /nfs/dbraw/zinc/95/75/23/977957523.db2.gz UNLAURKPFJVVOH-VIFPVBQESA-N 0 1 214.309 2.325 20 0 BEADMN Cc1ncc(CNC(C)(C)/C=C/Cl)cn1 ZINC001336783475 977957889 /nfs/dbraw/zinc/95/78/89/977957889.db2.gz AKAMHDCZYBGVOF-SNAWJCMRSA-N 0 1 225.723 2.406 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cnsc1 ZINC001232230541 977965983 /nfs/dbraw/zinc/96/59/83/977965983.db2.gz MJNWBXFOJSIZAO-GUBZILKMSA-N 0 1 212.293 2.075 20 0 BEADMN Cc1nnc(CN2CC3CCC(CC3)C2)s1 ZINC001232246933 977975402 /nfs/dbraw/zinc/97/54/02/977975402.db2.gz OEVQLHWSFRCWGS-UHFFFAOYSA-N 0 1 237.372 2.469 20 0 BEADMN COCc1cccc(C[N@H+]2CCC[C@H]2C)n1 ZINC001232251450 977981950 /nfs/dbraw/zinc/98/19/50/977981950.db2.gz UUJMPSTUGHBPEW-LLVKDONJSA-N 0 1 220.316 2.212 20 0 BEADMN COCn1ncc(C)c1CN1C[C@@H]2CCCC[C@@H]21 ZINC001336823528 977988740 /nfs/dbraw/zinc/98/87/40/977988740.db2.gz DZORNSGGSKAFBD-STQMWFEESA-N 0 1 249.358 2.170 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C\c1cccc(F)c1 ZINC001595201166 977991029 /nfs/dbraw/zinc/99/10/29/977991029.db2.gz DMXBQBJIRUFSAE-JLIVMUMWSA-N 0 1 249.285 2.388 20 0 BEADMN CCOc1ccc(CN2CC(C)C2)c(C)n1 ZINC001232308026 977997699 /nfs/dbraw/zinc/99/76/99/977997699.db2.gz LYFJEQVDBRIDGS-UHFFFAOYSA-N 0 1 220.316 2.240 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC001595227441 977999936 /nfs/dbraw/zinc/99/99/36/977999936.db2.gz JBVNPGORPAJQBA-CYBMUJFWSA-N 0 1 231.295 2.369 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(SC)nc2)C1 ZINC001232326480 978004070 /nfs/dbraw/zinc/00/40/70/978004070.db2.gz HXYUHDKEFYWJQG-LLVKDONJSA-N 0 1 238.356 2.024 20 0 BEADMN COc1nonc1Nc1cncc(C2CC2)c1 ZINC001176282135 978008768 /nfs/dbraw/zinc/00/87/68/978008768.db2.gz FURLHJYTFOGYOX-UHFFFAOYSA-N 0 1 232.243 2.094 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)cc1O ZINC001176256831 978017860 /nfs/dbraw/zinc/01/78/60/978017860.db2.gz YOAAXMSJTMZRDQ-UHFFFAOYSA-N 0 1 233.271 2.186 20 0 BEADMN COc1cc(Cl)cc(Nc2nonc2N)c1 ZINC001176343973 978031769 /nfs/dbraw/zinc/03/17/69/978031769.db2.gz VHZGPLODFXAJMD-UHFFFAOYSA-N 0 1 240.650 2.057 20 0 BEADMN Nc1ccc(CN2CCC[C@@H](C(F)F)C2)cn1 ZINC001232368313 978040537 /nfs/dbraw/zinc/04/05/37/978040537.db2.gz BJGRROYZDRBJNF-SNVBAGLBSA-N 0 1 241.285 2.141 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cnc(C)nc1 ZINC001176393452 978048389 /nfs/dbraw/zinc/04/83/89/978048389.db2.gz KYBGBSSEEVEECP-UHFFFAOYSA-N 0 1 239.282 2.015 20 0 BEADMN Cc1ncn(-c2c(F)cc(F)c(F)c2F)c1N ZINC001176350289 978048971 /nfs/dbraw/zinc/04/89/71/978048971.db2.gz ZKUYQRBXZOLEIQ-UHFFFAOYSA-N 0 1 245.179 2.319 20 0 BEADMN C(c1[nH]nc2c1CCC2)N1CC2(C1)CCCC2 ZINC001232424312 978057402 /nfs/dbraw/zinc/05/74/02/978057402.db2.gz FXZXBPLDTSHDQS-UHFFFAOYSA-N 0 1 231.343 2.274 20 0 BEADMN C(c1n[nH]c2c1CCC2)N1CC2(C1)CCCC2 ZINC001232424312 978057411 /nfs/dbraw/zinc/05/74/11/978057411.db2.gz FXZXBPLDTSHDQS-UHFFFAOYSA-N 0 1 231.343 2.274 20 0 BEADMN C[C@@]1(CF)CCN(Cc2[nH]nc3c2CCC3)C1 ZINC001232424151 978058036 /nfs/dbraw/zinc/05/80/36/978058036.db2.gz CXMJNINIFAYQOH-ZDUSSCGKSA-N 0 1 237.322 2.080 20 0 BEADMN COCCN(C)Cc1cc(F)c(C)c(F)c1 ZINC001232419408 978060166 /nfs/dbraw/zinc/06/01/66/978060166.db2.gz FFSOVEMOIDIDKF-UHFFFAOYSA-N 0 1 229.270 2.351 20 0 BEADMN Cc1ncc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)[nH]1 ZINC001232458660 978086620 /nfs/dbraw/zinc/08/66/20/978086620.db2.gz PTQDAMWKUVHQHN-CHWSQXEVSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1ncc(CN2CCc3sccc3C2)[nH]1 ZINC001232459965 978086714 /nfs/dbraw/zinc/08/67/14/978086714.db2.gz KTEJDGAJSDRHIZ-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1ncc(CN2CCc3ccc(F)cc3C2)[nH]1 ZINC001232463088 978097870 /nfs/dbraw/zinc/09/78/70/978097870.db2.gz BUPLHZHZDJPDRJ-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CCCC[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001595742543 978131359 /nfs/dbraw/zinc/13/13/59/978131359.db2.gz MBOPVHWWUWXKQS-ZJUUUORDSA-N 0 1 247.285 2.217 20 0 BEADMN CN(CCc1cccnc1)Cc1cc(F)ccn1 ZINC001232496290 978151836 /nfs/dbraw/zinc/15/18/36/978151836.db2.gz RFNFOGSWDJSEAY-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN FC[C@H]1CCCN(Cc2cc(F)ccn2)C1 ZINC001232496230 978153155 /nfs/dbraw/zinc/15/31/55/978153155.db2.gz QMUKJNSGPRQALA-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@H]1COCCN(Cc2cccc(CF)n2)C1 ZINC001232535912 978161737 /nfs/dbraw/zinc/16/17/37/978161737.db2.gz PJDQASRENIZQNK-LLVKDONJSA-N 0 1 238.306 2.019 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1c1nccnc1CN ZINC001337100903 978162545 /nfs/dbraw/zinc/16/25/45/978162545.db2.gz RFXKYACPTNSVMC-AAEUAGOBSA-N 0 1 248.374 2.340 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1c1nccnc1CN ZINC001337100904 978162714 /nfs/dbraw/zinc/16/27/14/978162714.db2.gz RFXKYACPTNSVMC-DGCLKSJQSA-N 0 1 248.374 2.340 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1c1nccnc1CN ZINC001337100905 978164198 /nfs/dbraw/zinc/16/41/98/978164198.db2.gz RFXKYACPTNSVMC-WCQYABFASA-N 0 1 248.374 2.340 20 0 BEADMN Cc1csc([C@@H](C)CNc2ccnc(N)n2)n1 ZINC001337118672 978171389 /nfs/dbraw/zinc/17/13/89/978171389.db2.gz NRZVYWZPHUZJRW-ZETCQYMHSA-N 0 1 249.343 2.039 20 0 BEADMN CC1CN(Cc2cc3ccoc3cn2)C1 ZINC001232549161 978171674 /nfs/dbraw/zinc/17/16/74/978171674.db2.gz CFRQWVZZXHCUDD-UHFFFAOYSA-N 0 1 202.257 2.280 20 0 BEADMN C[C@@H]1CC[C@H](O)CN1Cc1cc2ccoc2cn1 ZINC001232549454 978177152 /nfs/dbraw/zinc/17/71/52/978177152.db2.gz HSDZHPQSYWHWGH-MFKMUULPSA-N 0 1 246.310 2.173 20 0 BEADMN CCC[C@@H]1CCC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC001176782696 978178082 /nfs/dbraw/zinc/17/80/82/978178082.db2.gz MKMIDODVMWXNMK-LLVKDONJSA-N 0 1 235.331 2.255 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC001176782696 978178086 /nfs/dbraw/zinc/17/80/86/978178086.db2.gz MKMIDODVMWXNMK-LLVKDONJSA-N 0 1 235.331 2.255 20 0 BEADMN C[C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)CC(C)(C)C1 ZINC001176836866 978205831 /nfs/dbraw/zinc/20/58/31/978205831.db2.gz RBWQWVOBGSFCIJ-WDEREUQCSA-N 0 1 249.358 2.283 20 0 BEADMN NCc1nccnc1NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001337192588 978211027 /nfs/dbraw/zinc/21/10/27/978211027.db2.gz OYVQAQAELGCXGL-NWDGAFQWSA-N 0 1 246.358 2.174 20 0 BEADMN C1=CCN(Cc2cncc3cnccc32)C1 ZINC001232649349 978213821 /nfs/dbraw/zinc/21/38/21/978213821.db2.gz IUJMCAOODYJIQE-UHFFFAOYSA-N 0 1 211.268 2.002 20 0 BEADMN CNc1ccccc1CN1CCCCC12COC2 ZINC001232671686 978226436 /nfs/dbraw/zinc/22/64/36/978226436.db2.gz PQMSUYFBZZCCJM-UHFFFAOYSA-N 0 1 246.354 2.483 20 0 BEADMN CCOC(=O)/C=C/CN[C@@H](C)c1ncccc1C ZINC001176896194 978253459 /nfs/dbraw/zinc/25/34/59/978253459.db2.gz DZRVAEDXBPXXKW-WMADIVHISA-N 0 1 248.326 2.160 20 0 BEADMN CCc1nc[nH]c1C(=O)N(C)c1ccc(F)cc1 ZINC001596773710 978254784 /nfs/dbraw/zinc/25/47/84/978254784.db2.gz GZQZUNHPFFKGJT-UHFFFAOYSA-N 0 1 247.273 2.388 20 0 BEADMN COC(=O)c1cc(CN2CCC(C)CC2)ccn1 ZINC001232766682 978259009 /nfs/dbraw/zinc/25/90/09/978259009.db2.gz LJIUKQDXQDXACR-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN COC(=O)c1cc(CN2CCCC[C@@H]2C)ccn1 ZINC001232766678 978260056 /nfs/dbraw/zinc/26/00/56/978260056.db2.gz LDQIBZIMUMQBPU-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cc(C)ns1 ZINC001176915364 978262046 /nfs/dbraw/zinc/26/20/46/978262046.db2.gz JOENZJBPQXGSNK-GHMZBOCLSA-N 0 1 226.345 2.061 20 0 BEADMN COc1ccnc(Nc2ccc(N)c(OC)c2)c1 ZINC001249714370 978298809 /nfs/dbraw/zinc/29/88/09/978298809.db2.gz GMPAEAFWCUOOAO-UHFFFAOYSA-N 0 1 245.282 2.425 20 0 BEADMN C[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12 ZINC001203353867 978318158 /nfs/dbraw/zinc/31/81/58/978318158.db2.gz PXEAYMMSMSUXMS-MPKXVKKWSA-N 0 1 235.302 2.292 20 0 BEADMN CCCN(CCCC(F)(F)F)CC(=O)OC ZINC000149055423 978326909 /nfs/dbraw/zinc/32/69/09/978326909.db2.gz MBJWOSHYAPCJTJ-UHFFFAOYSA-N 0 1 241.253 2.214 20 0 BEADMN CN(Cc1ccc(OC(F)F)nc1)C1CC1 ZINC001232953657 978355724 /nfs/dbraw/zinc/35/57/24/978355724.db2.gz LJRQTXWKMTVQSR-UHFFFAOYSA-N 0 1 228.242 2.277 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2ncoc2c1 ZINC001232945639 978355761 /nfs/dbraw/zinc/35/57/61/978355761.db2.gz GBEPAAVRODDIDE-LLVKDONJSA-N 0 1 232.283 2.049 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1(C)CC1 ZINC001337521250 978386393 /nfs/dbraw/zinc/38/63/93/978386393.db2.gz FDZABVACQWWCSY-VHSXEESVSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1ncc(F)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001232989848 978390988 /nfs/dbraw/zinc/39/09/88/978390988.db2.gz XYOHONPEMSAUGJ-WCFLWFBJSA-N 0 1 238.281 2.461 20 0 BEADMN Cc1cc(C)c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cn1 ZINC001233009592 978407214 /nfs/dbraw/zinc/40/72/14/978407214.db2.gz FXMUHYBWJMSWGP-OKILXGFUSA-N 0 1 247.386 2.223 20 0 BEADMN Cc1[nH]ncc1CNc1ccnn1[C@H](C)C1CC1 ZINC001177650874 978417088 /nfs/dbraw/zinc/41/70/88/978417088.db2.gz POHBRRLWBVSYNR-SNVBAGLBSA-N 0 1 245.330 2.498 20 0 BEADMN Fc1ccc2c(c1)[nH]nc2CN1CCCCO1 ZINC001233118760 978467855 /nfs/dbraw/zinc/46/78/55/978467855.db2.gz BJFPXEZFZMCHKL-UHFFFAOYSA-N 0 1 235.262 2.229 20 0 BEADMN Cc1cc(CN2CCC[C@@]3(CCO3)C2)cnc1C ZINC001233162019 978480901 /nfs/dbraw/zinc/48/09/01/978480901.db2.gz OGYOAAMFHJOWOG-OAHLLOKOSA-N 0 1 246.354 2.453 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1nccnc1CN ZINC001337788599 978496723 /nfs/dbraw/zinc/49/67/23/978496723.db2.gz SNJVZKRSANCTND-UWVGGRQHSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1ccc(CN2CC[C@@]23CCOC3)cc1O ZINC001233235645 978505920 /nfs/dbraw/zinc/50/59/20/978505920.db2.gz QFLPVLVZCQQYLH-AWEZNQCLSA-N 0 1 233.311 2.065 20 0 BEADMN [S-]c1ccc(C[N@@H+](C2CC2)C2COC2)cc1 ZINC001233261751 978515092 /nfs/dbraw/zinc/51/50/92/978515092.db2.gz BZJUFKKHHBFXTL-UHFFFAOYSA-N 0 1 235.352 2.339 20 0 BEADMN CC1(C)CN(Cc2cccc3c2CCO3)CCO1 ZINC001233273677 978521709 /nfs/dbraw/zinc/52/17/09/978521709.db2.gz MSMCTMQFGDJSMK-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc([S-])cc1 ZINC001233263288 978522516 /nfs/dbraw/zinc/52/25/16/978522516.db2.gz ODPOZTYKRWEYLG-STQMWFEESA-N 0 1 248.395 2.254 20 0 BEADMN CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc([S-])cc1 ZINC001233263288 978522525 /nfs/dbraw/zinc/52/25/25/978522525.db2.gz ODPOZTYKRWEYLG-STQMWFEESA-N 0 1 248.395 2.254 20 0 BEADMN CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc([S-])cc1 ZINC001233263288 978522534 /nfs/dbraw/zinc/52/25/34/978522534.db2.gz ODPOZTYKRWEYLG-STQMWFEESA-N 0 1 248.395 2.254 20 0 BEADMN Cc1cc(CN2CC[C@](C)(O)[C@H](C)C2)sn1 ZINC001233309807 978534817 /nfs/dbraw/zinc/53/48/17/978534817.db2.gz CBUFOUIBSHESRL-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)sn1 ZINC001233311973 978535902 /nfs/dbraw/zinc/53/59/02/978535902.db2.gz RSRCDECSGXIEIK-ATZCPNFKSA-N 0 1 226.320 2.384 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233291207 978536898 /nfs/dbraw/zinc/53/68/98/978536898.db2.gz QJZRRJRWNKHDMB-UHFFFAOYSA-N 0 1 246.310 2.486 20 0 BEADMN O[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001204214169 978539325 /nfs/dbraw/zinc/53/93/25/978539325.db2.gz KRZWXBOWLDRNQK-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@@H]1CCCCN(Cc2cc(F)ccc2F)C1 ZINC001204214169 978539338 /nfs/dbraw/zinc/53/93/38/978539338.db2.gz KRZWXBOWLDRNQK-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ncc(C)o2)[nH]n1 ZINC001337902106 978555526 /nfs/dbraw/zinc/55/55/26/978555526.db2.gz MBSMAFJWNSBYLG-ZETCQYMHSA-N 0 1 220.276 2.058 20 0 BEADMN CCOC(=O)c1ccnc(CN2CCC[C@H]2C)c1 ZINC001233323127 978559996 /nfs/dbraw/zinc/55/99/96/978559996.db2.gz HHOVLNYCDLYCBO-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN CCc1ncc(CNCc2cncc(C)c2)cn1 ZINC001178365326 978560085 /nfs/dbraw/zinc/56/00/85/978560085.db2.gz DCXMENASRUMCEN-UHFFFAOYSA-N 0 1 242.326 2.032 20 0 BEADMN C/C=C(C)/C=C/C(=O)Nc1cccnc1CN ZINC001178514903 978580814 /nfs/dbraw/zinc/58/08/14/978580814.db2.gz VUXFKQHFZVYMTG-RAMOOHJPSA-N 0 1 231.299 2.001 20 0 BEADMN C[C@@]1(F)CCCCN(Cc2cccc(N)n2)C1 ZINC001233368967 978583140 /nfs/dbraw/zinc/58/31/40/978583140.db2.gz QTQYPNPTKUOUQA-CYBMUJFWSA-N 0 1 237.322 2.378 20 0 BEADMN CCN(C)Cc1cn2ccc(Cl)cc2n1 ZINC001233388080 978586351 /nfs/dbraw/zinc/58/63/51/978586351.db2.gz KTWDPAMCVINYQH-UHFFFAOYSA-N 0 1 223.707 2.439 20 0 BEADMN C[C@@H]1CCN(Cc2cc(F)c(F)cc2N)C1 ZINC001233377948 978588292 /nfs/dbraw/zinc/58/82/92/978588292.db2.gz AEIYSZSNZXRLNB-MRVPVSSYSA-N 0 1 226.270 2.389 20 0 BEADMN Clc1cncc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001233445979 978602372 /nfs/dbraw/zinc/60/23/72/978602372.db2.gz CIIJWSPDQFIZDO-AOOOYVTPSA-N 0 1 237.734 2.362 20 0 BEADMN CCc1ncc(CNC(=O)c2ccc(F)cc2)[nH]1 ZINC001178662543 978603748 /nfs/dbraw/zinc/60/37/48/978603748.db2.gz PFRGUNPSHVOMFW-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN C[C@@H]1CC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233587676 978633593 /nfs/dbraw/zinc/63/35/93/978633593.db2.gz WTFKTPXTQBNZBU-RQJHMYQMSA-N 0 1 228.679 2.403 20 0 BEADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)C1CCC1 ZINC001233587710 978636521 /nfs/dbraw/zinc/63/65/21/978636521.db2.gz XWXOGBSZLDZCEN-LURJTMIESA-N 0 1 228.679 2.403 20 0 BEADMN Cc1ncoc1C[N@H+](C)CCCOC(C)C ZINC001338234062 978640233 /nfs/dbraw/zinc/64/02/33/978640233.db2.gz CPXCOCZUOSLAAY-UHFFFAOYSA-N 0 1 226.320 2.230 20 0 BEADMN Cc1ncoc1CN(C)CCCOC(C)C ZINC001338234062 978640240 /nfs/dbraw/zinc/64/02/40/978640240.db2.gz CPXCOCZUOSLAAY-UHFFFAOYSA-N 0 1 226.320 2.230 20 0 BEADMN CC[C@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001179087360 978667043 /nfs/dbraw/zinc/66/70/43/978667043.db2.gz CADBCMDOFQAESD-VIFPVBQESA-N 0 1 223.320 2.195 20 0 BEADMN CCC(=O)Cc1ccc2c(C)[nH]nc2c1 ZINC001249921659 978672990 /nfs/dbraw/zinc/67/29/90/978672990.db2.gz RNJCGUYREDHQEB-UHFFFAOYSA-N 0 1 202.257 2.393 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600193837 978674251 /nfs/dbraw/zinc/67/42/51/978674251.db2.gz TYROJMVKPXBLPJ-WPRPVWTQSA-N 0 1 236.315 2.252 20 0 BEADMN Cc1cc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccn1 ZINC001600190321 978675155 /nfs/dbraw/zinc/67/51/55/978675155.db2.gz IHTIJEBYETYSEQ-SNVBAGLBSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)[O-])C2)cc1 ZINC001600395262 978687968 /nfs/dbraw/zinc/68/79/68/978687968.db2.gz CAWJFWSVSMNLLW-WCQYABFASA-N 0 1 233.311 2.257 20 0 BEADMN Cc1ccc(C[NH2+][C@@H](CF)C(=O)[O-])c(Cl)c1 ZINC001600419476 978692275 /nfs/dbraw/zinc/69/22/75/978692275.db2.gz NJIHBCHDNHZFRR-JTQLQIEISA-N 0 1 245.681 2.161 20 0 BEADMN Cn1cc(Cl)c(CN[C@@]23C[C@@H]2CCCC3)n1 ZINC001179347864 978694279 /nfs/dbraw/zinc/69/42/79/978694279.db2.gz GSGRCRKEWASUQH-CABZTGNLSA-N 0 1 239.750 2.496 20 0 BEADMN Cc1ccnc([C@@H](C)NCC2(O)CCCCC2)n1 ZINC001338551257 978705616 /nfs/dbraw/zinc/70/56/16/978705616.db2.gz ONZOVYMMERBWMR-GFCCVEGCSA-N 0 1 249.358 2.131 20 0 BEADMN Cc1[nH+]cn(C[C@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC001600758395 978728814 /nfs/dbraw/zinc/72/88/14/978728814.db2.gz OGQJDTYUBCODAO-NEPJUHHUSA-N 0 1 236.315 2.391 20 0 BEADMN Fc1cccc(F)c1CN[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001179834732 978761709 /nfs/dbraw/zinc/76/17/09/978761709.db2.gz URMDGVBLIUASME-ZEGGKSINSA-N 0 1 239.265 2.374 20 0 BEADMN CCC(=O)c1cc(O)ccc1O[C@H]1CCN(C)C1 ZINC001234077644 978766953 /nfs/dbraw/zinc/76/69/53/978766953.db2.gz QIWLEMLVBXKLSA-NSHDSACASA-N 0 1 249.310 2.068 20 0 BEADMN CO[C@@H](CC(C)C)C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001339153414 978806595 /nfs/dbraw/zinc/80/65/95/978806595.db2.gz YNUJCEZDGBEARF-NSHDSACASA-N 0 1 245.363 2.233 20 0 BEADMN CC(=O)c1c(C)cc(NCc2nnc[nH]2)cc1C ZINC001339168988 978808646 /nfs/dbraw/zinc/80/86/46/978808646.db2.gz LFIZQCQEQGVRNA-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](F)C1 ZINC001601810256 978852627 /nfs/dbraw/zinc/85/26/27/978852627.db2.gz AJUDUPZPANUVTI-IJLUTSLNSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1nc(OC(C)C)c(Br)c(=O)[nH]1 ZINC001234572350 978861328 /nfs/dbraw/zinc/86/13/28/978861328.db2.gz MLGPIDYSWJBGDW-UHFFFAOYSA-N 0 1 247.092 2.040 20 0 BEADMN Nc1ncccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC001180297419 978861501 /nfs/dbraw/zinc/86/15/01/978861501.db2.gz WXUPKYHNBNUSOM-ZDUSSCGKSA-N 0 1 242.326 2.329 20 0 BEADMN CC(C)COC1CN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001180343909 978864171 /nfs/dbraw/zinc/86/41/71/978864171.db2.gz CAZNGVRJDIATOG-CLLJXQQHSA-N 0 1 223.360 2.389 20 0 BEADMN Cc1nc(C)c(CN2CC3(C2)CCCC3)[nH]1 ZINC001234602086 978869728 /nfs/dbraw/zinc/86/97/28/978869728.db2.gz XLAJYMDCERNOFZ-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccn1C1CC1 ZINC001601953872 978874280 /nfs/dbraw/zinc/87/42/80/978874280.db2.gz ONEFYGYKEYZVKZ-GFCCVEGCSA-N 0 1 248.326 2.262 20 0 BEADMN CCC[C@]1(C)CCCN(c2nccnc2CN)C1 ZINC001339597251 978877465 /nfs/dbraw/zinc/87/74/65/978877465.db2.gz WRWFVQRDDWFMSB-CQSZACIVSA-N 0 1 248.374 2.342 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC001601990815 978878320 /nfs/dbraw/zinc/87/83/20/978878320.db2.gz KDHLLZDXMHDUDU-UHFFFAOYSA-N 0 1 246.310 2.036 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001602012071 978883053 /nfs/dbraw/zinc/88/30/53/978883053.db2.gz AMDXRFUYHUHKAY-LBPRGKRZSA-N 0 1 249.310 2.005 20 0 BEADMN Cc1nc2cc(C)ccn2c1CN(C)C ZINC000003820217 978893706 /nfs/dbraw/zinc/89/37/06/978893706.db2.gz GLWBYZDPNSTARS-UHFFFAOYSA-N 0 1 203.289 2.013 20 0 BEADMN C[C@@H](Oc1nc(F)nc2nc[nH]c21)C1CCC1 ZINC001234687651 978897982 /nfs/dbraw/zinc/89/79/82/978897982.db2.gz RUGJVNXUVFSBKA-ZCFIWIBFSA-N 0 1 236.250 2.059 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234689488 978898066 /nfs/dbraw/zinc/89/80/66/978898066.db2.gz HERUWVAOSRTYSO-RQJHMYQMSA-N 0 1 236.250 2.059 20 0 BEADMN Fc1nc2nc[nH]c2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC001234690431 978898119 /nfs/dbraw/zinc/89/81/19/978898119.db2.gz AQVAYEPUJZCYBU-GJMOJQLCSA-N 0 1 248.261 2.059 20 0 BEADMN Fc1nc2nc[nH]c2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC001234688450 978898610 /nfs/dbraw/zinc/89/86/10/978898610.db2.gz AQVAYEPUJZCYBU-XLPZGREQSA-N 0 1 248.261 2.059 20 0 BEADMN CCc1ccc(NC(=O)[C@H](C)N2CCCC2)cn1 ZINC001180578179 978899833 /nfs/dbraw/zinc/89/98/33/978899833.db2.gz ZNTDZTALUXLHRK-NSHDSACASA-N 0 1 247.342 2.067 20 0 BEADMN CN1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001339865932 978928897 /nfs/dbraw/zinc/92/88/97/978928897.db2.gz NDQTXADMSOEQDJ-AWEZNQCLSA-N 0 1 234.318 2.060 20 0 BEADMN COC(=O)c1ccnc(CN2CCCC[C@H]2C)c1 ZINC001235196510 978994157 /nfs/dbraw/zinc/99/41/57/978994157.db2.gz CZWJGGKENJYUNX-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN CCc1cccc(CN2CCC[C@@H](OC)C2)n1 ZINC001235248308 979004856 /nfs/dbraw/zinc/00/48/56/979004856.db2.gz AXMKKRQNPCWDDS-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CCc1cccc(CN2CC(C)(C)C2)n1 ZINC001235248816 979005908 /nfs/dbraw/zinc/00/59/08/979005908.db2.gz FXUKMOVTESEKQF-UHFFFAOYSA-N 0 1 204.317 2.486 20 0 BEADMN CCc1cccc(CN2CCC[C@@]3(CCO3)C2)n1 ZINC001235262114 979015531 /nfs/dbraw/zinc/01/55/31/979015531.db2.gz WNNRLLMUHJTKCE-OAHLLOKOSA-N 0 1 246.354 2.399 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc(OC)ncc1F ZINC001235312814 979022247 /nfs/dbraw/zinc/02/22/47/979022247.db2.gz UVKJNJSDTQGLDY-SECBINFHSA-N 0 1 226.295 2.460 20 0 BEADMN COc1cc(CN2CC[C@@H](C)C2)c(F)cn1 ZINC001235311168 979023472 /nfs/dbraw/zinc/02/34/72/979023472.db2.gz HYXSMFWNRCNXRX-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN Cc1cnc(F)c(CN2CC[C@@H](C)C2)c1 ZINC001235327678 979024026 /nfs/dbraw/zinc/02/40/26/979024026.db2.gz HDJYHXMYJHVOQB-SECBINFHSA-N 0 1 208.280 2.371 20 0 BEADMN Cc1cnc(F)c(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001235333786 979029224 /nfs/dbraw/zinc/02/92/24/979029224.db2.gz IBZQJNBUTZCILK-ZMLRMANQSA-N 0 1 238.281 2.461 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC001602339540 979107801 /nfs/dbraw/zinc/10/78/01/979107801.db2.gz BBMBCRGBCMOCKS-RYUDHWBXSA-N 0 1 249.335 2.075 20 0 BEADMN C[C@@H]1CCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235683909 979118183 /nfs/dbraw/zinc/11/81/83/979118183.db2.gz QMBYWEYJWKWZSX-MRVPVSSYSA-N 0 1 219.263 2.296 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC001602482794 979118207 /nfs/dbraw/zinc/11/82/07/979118207.db2.gz KMDJALCFRBJQEY-DVVUODLYSA-N 0 1 232.283 2.380 20 0 BEADMN Fc1ccc2nc(CN3CC=CC3)[nH]c2c1 ZINC001235681888 979120290 /nfs/dbraw/zinc/12/02/90/979120290.db2.gz FUHGXNVCYVGGBO-UHFFFAOYSA-N 0 1 217.247 2.074 20 0 BEADMN OCCCN1CCC[C@H]1c1cc(F)ccc1F ZINC001235715162 979129747 /nfs/dbraw/zinc/12/97/47/979129747.db2.gz QJZQPMOIWVPJJL-ZDUSSCGKSA-N 0 1 241.281 2.484 20 0 BEADMN O=C([O-])c1coc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC001602557624 979133863 /nfs/dbraw/zinc/13/38/63/979133863.db2.gz XSYHGEWKMNSFGB-HTQZYQBOSA-N 0 1 249.188 2.018 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](CC)CO)cs1 ZINC001341061066 979211688 /nfs/dbraw/zinc/21/16/88/979211688.db2.gz OKMGCEXUJUMOEM-BDAKNGLRSA-N 0 1 228.361 2.127 20 0 BEADMN C[C@@H]1CCN(CCCC(C)(F)F)[C@@H](C(N)=O)C1 ZINC001341174640 979259869 /nfs/dbraw/zinc/25/98/69/979259869.db2.gz MWXJZPQGTLCIND-NXEZZACHSA-N 0 1 248.317 2.008 20 0 BEADMN Nc1ccnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235985767 979267239 /nfs/dbraw/zinc/26/72/39/979267239.db2.gz NZJZLKZCYXMUGL-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN c1cc2cncc(-c3cnc4nonc4c3)c2[nH]1 ZINC001236026958 979321979 /nfs/dbraw/zinc/32/19/79/979321979.db2.gz HOQDYSGCEWMHKX-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN CCC1(CC)C[C@H]1C(=O)NCc1cc(C)[nH]n1 ZINC001181886125 979353499 /nfs/dbraw/zinc/35/34/99/979353499.db2.gz IZQYZVIHGBZOEZ-NSHDSACASA-N 0 1 235.331 2.161 20 0 BEADMN CCC1(CC)C[C@@H]1C(=O)Nc1cccnc1CN ZINC001181886451 979355333 /nfs/dbraw/zinc/35/53/33/979355333.db2.gz BKQBLJKFQJKHGT-SNVBAGLBSA-N 0 1 247.342 2.305 20 0 BEADMN Clc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001236091479 979381066 /nfs/dbraw/zinc/38/10/66/979381066.db2.gz XVMAMNDIZSNFHJ-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN FCC(CF)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001181972315 979402738 /nfs/dbraw/zinc/40/27/38/979402738.db2.gz RPQPNXKDEJLECJ-INTQDDNPSA-N 0 1 203.276 2.462 20 0 BEADMN CN[C@@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001236167640 979419371 /nfs/dbraw/zinc/41/93/71/979419371.db2.gz SOZJPWFUKXTXOH-AWEZNQCLSA-N 0 1 218.344 2.363 20 0 BEADMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC(=O)[O-] ZINC001603314542 979433445 /nfs/dbraw/zinc/43/34/45/979433445.db2.gz COCGTYAIDYTMOT-LBPRGKRZSA-N 0 1 233.311 2.339 20 0 BEADMN Cc1ccc(Cl)c(CN(C)CCO)c1 ZINC001236258334 979475542 /nfs/dbraw/zinc/47/55/42/979475542.db2.gz CPTTUWOJVQLZGL-UHFFFAOYSA-N 0 1 213.708 2.073 20 0 BEADMN CN(CCO)Cc1cccc(-c2cccs2)n1 ZINC001236258745 979475886 /nfs/dbraw/zinc/47/58/86/979475886.db2.gz HLPFUOCVZMLGEC-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN Cc1cnc([C@H](C)Sc2nnc(C)[nH]2)o1 ZINC001341617567 979489922 /nfs/dbraw/zinc/48/99/22/979489922.db2.gz JWWQNPNNXLPCDW-LURJTMIESA-N 0 1 224.289 2.263 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)c2ncc(C)o2)n1 ZINC001341617567 979489926 /nfs/dbraw/zinc/48/99/26/979489926.db2.gz JWWQNPNNXLPCDW-LURJTMIESA-N 0 1 224.289 2.263 20 0 BEADMN CCN(C)Cc1cc(F)cc2c1OCOC2 ZINC000071957302 979538845 /nfs/dbraw/zinc/53/88/45/979538845.db2.gz LWOHWMFSDDHYRT-UHFFFAOYSA-N 0 1 225.263 2.144 20 0 BEADMN Cc1noc(C)c1Cc1ccc2[nH]nnc2c1 ZINC001250067486 979562919 /nfs/dbraw/zinc/56/29/19/979562919.db2.gz BGRDJOJPEKTPMG-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1noc(C)c1Cc1ccc2nn[nH]c2c1 ZINC001250067486 979562925 /nfs/dbraw/zinc/56/29/25/979562925.db2.gz BGRDJOJPEKTPMG-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(F)c2ccccc12 ZINC001604113830 979576945 /nfs/dbraw/zinc/57/69/45/979576945.db2.gz HSTQAONRCZDYAD-UHFFFAOYSA-N 0 1 247.269 2.495 20 0 BEADMN CCn1nc(C)c(NCc2cc(C)[nH]n2)c1C ZINC001341868583 979581174 /nfs/dbraw/zinc/58/11/74/979581174.db2.gz IJXBZPBDMSGXLD-UHFFFAOYSA-N 0 1 233.319 2.163 20 0 BEADMN CCCCC(=O)OCc1ccc2[nH]nnc2c1 ZINC001341884093 979587642 /nfs/dbraw/zinc/58/76/42/979587642.db2.gz PJVVIITYHIEWPF-UHFFFAOYSA-N 0 1 233.271 2.191 20 0 BEADMN CCCCC(=O)OCc1ccc2nn[nH]c2c1 ZINC001341884093 979587650 /nfs/dbraw/zinc/58/76/50/979587650.db2.gz PJVVIITYHIEWPF-UHFFFAOYSA-N 0 1 233.271 2.191 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)CC1CCC1 ZINC001604150734 979587623 /nfs/dbraw/zinc/58/76/23/979587623.db2.gz COGGZCIYXPVDCD-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CN(C(=O)Cc1ccc2nc[nH]c2c1)C(C)(C)C ZINC001182843119 979645180 /nfs/dbraw/zinc/64/51/80/979645180.db2.gz FRNKCJRDJXSMKP-UHFFFAOYSA-N 0 1 245.326 2.362 20 0 BEADMN C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604468602 979655873 /nfs/dbraw/zinc/65/58/73/979655873.db2.gz XLBOUAWRPBTVAV-KMLBCRHOSA-N 0 1 249.285 2.149 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC001182829583 979656517 /nfs/dbraw/zinc/65/65/17/979656517.db2.gz CQWRFIBKSDLJRU-XQQFMLRXSA-N 0 1 238.375 2.259 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1CCC12CCCC2 ZINC001182838062 979660195 /nfs/dbraw/zinc/66/01/95/979660195.db2.gz LDTJLJNYAZKUJI-LBPRGKRZSA-N 0 1 236.359 2.014 20 0 BEADMN CCCN(CCOC)Cc1oc(C)nc1C ZINC001236596012 979672701 /nfs/dbraw/zinc/67/27/01/979672701.db2.gz VOMROSYWGARHOO-UHFFFAOYSA-N 0 1 226.320 2.150 20 0 BEADMN Cc1cc(C[N@@H+]2CC=C(C)CC2)[nH]c1C(=O)[O-] ZINC001604616275 979685120 /nfs/dbraw/zinc/68/51/20/979685120.db2.gz OCXNFXWKXFHXND-UHFFFAOYSA-N 0 1 234.299 2.173 20 0 BEADMN c1cc2c(cccc2CN2CC3(COC3)C2)o1 ZINC001236735526 979715294 /nfs/dbraw/zinc/71/52/94/979715294.db2.gz RBEPHYWWFDEARO-UHFFFAOYSA-N 0 1 229.279 2.265 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@@H]1C=CCC1 ZINC001331364529 979745394 /nfs/dbraw/zinc/74/53/94/979745394.db2.gz ORJUVEQEEXHLDQ-OCCSQVGLSA-N 0 1 244.338 2.077 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC001604922671 979767982 /nfs/dbraw/zinc/76/79/82/979767982.db2.gz FGDNCRZIYNYYSG-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCC1CC1 ZINC001605004370 979795451 /nfs/dbraw/zinc/79/54/51/979795451.db2.gz RGUQRTWLKXFVJK-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN CCCCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236981221 979801828 /nfs/dbraw/zinc/80/18/28/979801828.db2.gz MDNNYLMUYLEIFX-SECBINFHSA-N 0 1 224.270 2.013 20 0 BEADMN C[C@H]1CC(C)(C)c2cccc(NC(=O)CN)c21 ZINC001342534032 979822385 /nfs/dbraw/zinc/82/23/85/979822385.db2.gz ABPCVMWTWBASSY-VIFPVBQESA-N 0 1 232.327 2.369 20 0 BEADMN COCCN(C)Cc1ccc(F)c(F)c1C ZINC001237155902 979823689 /nfs/dbraw/zinc/82/36/89/979823689.db2.gz SDQFTWKBPFDBCR-UHFFFAOYSA-N 0 1 229.270 2.351 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170644 979823948 /nfs/dbraw/zinc/82/39/48/979823948.db2.gz CHCTWWWAWOLNQH-DTWKUNHWSA-N 0 1 238.287 2.166 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC001605172539 979829096 /nfs/dbraw/zinc/82/90/96/979829096.db2.gz UCWUKOJBUOFZHP-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])n1C ZINC001605207764 979837519 /nfs/dbraw/zinc/83/75/19/979837519.db2.gz BSKCBDNDVPZXTM-SNVBAGLBSA-N 0 1 238.331 2.344 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])n1C ZINC001605207762 979838556 /nfs/dbraw/zinc/83/85/56/979838556.db2.gz BSKCBDNDVPZXTM-JTQLQIEISA-N 0 1 238.331 2.344 20 0 BEADMN OCCOc1ccccc1CN1CC2(CCC2)C1 ZINC001237195757 979844967 /nfs/dbraw/zinc/84/49/67/979844967.db2.gz WZSQAUPKBCYBMA-UHFFFAOYSA-N 0 1 247.338 2.044 20 0 BEADMN Nc1cccc(CN2CC3(C2)CC(F)(F)C3)c1 ZINC001237216664 979847553 /nfs/dbraw/zinc/84/75/53/979847553.db2.gz HLIRBRNDHUPPOU-UHFFFAOYSA-N 0 1 238.281 2.500 20 0 BEADMN Oc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001237278787 979859963 /nfs/dbraw/zinc/85/99/63/979859963.db2.gz LTNCYAQHRYIMEG-XHVZSJERSA-N 0 1 239.265 2.464 20 0 BEADMN Cc1cc(F)cc(C)c1CN1CC2(CC(O)C2)C1 ZINC001237316046 979863581 /nfs/dbraw/zinc/86/35/81/979863581.db2.gz BCFSEFLZYQFMFT-UHFFFAOYSA-N 0 1 249.329 2.399 20 0 BEADMN Cc1cc(F)cc(C)c1CN1CC2(COC2)C1 ZINC001237317072 979864812 /nfs/dbraw/zinc/86/48/12/979864812.db2.gz HPBPMTZLXSBHCI-UHFFFAOYSA-N 0 1 235.302 2.275 20 0 BEADMN CCc1cccc(C)c1CN1C[C@@H](O)[C@@H](F)C1 ZINC001237332441 979871033 /nfs/dbraw/zinc/87/10/33/979871033.db2.gz GOFKQNOJUIELKN-UONOGXRCSA-N 0 1 237.318 2.072 20 0 BEADMN CC[N@@H+](Cc1occc1C)[C@H](C(=O)[O-])C1CC1 ZINC001605463177 979880019 /nfs/dbraw/zinc/88/00/19/979880019.db2.gz LHSCWHKAXKFTLD-LBPRGKRZSA-N 0 1 237.299 2.273 20 0 BEADMN CCCN(C)Cc1cc2ccccn2n1 ZINC001237442441 979895767 /nfs/dbraw/zinc/89/57/67/979895767.db2.gz OXOUPXQUKGYEDI-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN CN(C)Cc1c(Cl)[nH]c2cnccc21 ZINC001237452970 979898929 /nfs/dbraw/zinc/89/89/29/979898929.db2.gz HZLPHXJQMMTFNJ-UHFFFAOYSA-N 0 1 209.680 2.278 20 0 BEADMN CCc1ccc[nH+]c1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001605836919 979919305 /nfs/dbraw/zinc/91/93/05/979919305.db2.gz VUIYYEVNJZUXFM-WDEREUQCSA-N 0 1 234.299 2.309 20 0 BEADMN O=C([O-])C1(CC[N@H+]2Cc3cccnc3C2)CCC1 ZINC001605950442 979934841 /nfs/dbraw/zinc/93/48/41/979934841.db2.gz JTBUWQRACHQTAR-UHFFFAOYSA-N 0 1 246.310 2.042 20 0 BEADMN C[N@@H+](CC(C)(C)C)[C@H](C(=O)[O-])c1cccnc1 ZINC001606090333 979949986 /nfs/dbraw/zinc/94/99/86/979949986.db2.gz KYYKIWDOHGCYNX-NSHDSACASA-N 0 1 236.315 2.185 20 0 BEADMN Clc1ccc2c(c1)CN(Cc1nnc[nH]1)CC2 ZINC001237600860 979953869 /nfs/dbraw/zinc/95/38/69/979953869.db2.gz CFBMLUVLXMBOEK-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCn1cncc1CN1CC[C@@]2(C1)CCCCO2 ZINC001237594398 979955029 /nfs/dbraw/zinc/95/50/29/979955029.db2.gz WRDHOWVWMXWNBU-CQSZACIVSA-N 0 1 249.358 2.048 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001606121039 979957051 /nfs/dbraw/zinc/95/70/51/979957051.db2.gz LZOBXVKETLUYER-WAYWQWQTSA-N 0 1 241.262 2.169 20 0 BEADMN C[N@@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])C1CC1 ZINC001606143289 979965387 /nfs/dbraw/zinc/96/53/87/979965387.db2.gz IZVRJOTYLGXSPV-UHFFFAOYSA-N 0 1 244.294 2.460 20 0 BEADMN CC(C)N(Cc1nnc[nH]1)Cc1ccccc1 ZINC001237603305 979966746 /nfs/dbraw/zinc/96/67/46/979966746.db2.gz QBAOLKJTYSNMJU-UHFFFAOYSA-N 0 1 230.315 2.215 20 0 BEADMN CCn1cc(CNC(C)(C)CF)c(C)n1 ZINC001343019512 979976036 /nfs/dbraw/zinc/97/60/36/979976036.db2.gz JFVPARZMFIFMAL-UHFFFAOYSA-N 0 1 213.300 2.049 20 0 BEADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)co1 ZINC001237638093 979989638 /nfs/dbraw/zinc/98/96/38/979989638.db2.gz CFEUIUVKJIADBG-FOSCPWQOSA-N 0 1 236.315 2.125 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001606313557 979995236 /nfs/dbraw/zinc/99/52/36/979995236.db2.gz STHVIXZKWWYUCF-PWSUYJOCSA-N 0 1 248.326 2.023 20 0 BEADMN Cc1coc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC001237650224 980004930 /nfs/dbraw/zinc/00/49/30/980004930.db2.gz VDZOHVXKCMRLBT-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN CCc1[nH]ncc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237649881 980006082 /nfs/dbraw/zinc/00/60/82/980006082.db2.gz BHXILLVIYWFJKH-LLVKDONJSA-N 0 1 241.285 2.203 20 0 BEADMN FC(F)(F)CCc1ccc2[nH]nnc2c1 ZINC001250146477 980019440 /nfs/dbraw/zinc/01/94/40/980019440.db2.gz OVQOAZQFTJUVJA-UHFFFAOYSA-N 0 1 215.178 2.453 20 0 BEADMN FC(F)(F)CCc1ccc2nn[nH]c2c1 ZINC001250146477 980019451 /nfs/dbraw/zinc/01/94/51/980019451.db2.gz OVQOAZQFTJUVJA-UHFFFAOYSA-N 0 1 215.178 2.453 20 0 BEADMN COc1ccc(C)c(CN2CC3(C2)CCOC3)c1 ZINC001237711037 980031442 /nfs/dbraw/zinc/03/14/42/980031442.db2.gz DEWFOZHLFURHQF-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1F ZINC001237816703 980064492 /nfs/dbraw/zinc/06/44/92/980064492.db2.gz FAIHNMFYBKAUTP-GAFUQQFSSA-N 0 1 238.281 2.461 20 0 BEADMN COc1ccoc1CN1CCC[C@@](C)(O)CC1 ZINC001237864628 980099589 /nfs/dbraw/zinc/09/95/89/980099589.db2.gz URFAGNIWQUXVKJ-CYBMUJFWSA-N 0 1 239.315 2.025 20 0 BEADMN COc1ccoc1CN1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001237871525 980105898 /nfs/dbraw/zinc/10/58/98/980105898.db2.gz HHEHYJKCLBFGIH-QWRGUYRKSA-N 0 1 249.310 2.089 20 0 BEADMN COc1ccoc1CN1CC[C@]2(CCCO2)C1 ZINC001237868813 980106062 /nfs/dbraw/zinc/10/60/62/980106062.db2.gz OMMUTHJWMKZBFK-CYBMUJFWSA-N 0 1 237.299 2.043 20 0 BEADMN CCN(C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237874342 980108751 /nfs/dbraw/zinc/10/87/51/980108751.db2.gz UQYZFHWSQKROSS-UHFFFAOYSA-N 0 1 233.315 2.470 20 0 BEADMN COc1ccoc1CN1CC[C@H](OC)C[C@H]1C ZINC001237874803 980109290 /nfs/dbraw/zinc/10/92/90/980109290.db2.gz ZTTKPWHSFQSUKI-MNOVXSKESA-N 0 1 239.315 2.288 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC1(C2CC2)CC1 ZINC001343451432 980113113 /nfs/dbraw/zinc/11/31/13/980113113.db2.gz MHPYWCMCNTXXAX-GFCCVEGCSA-N 0 1 237.343 2.345 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001607639086 980119625 /nfs/dbraw/zinc/11/96/25/980119625.db2.gz IIDJZPAWDBWHLD-VIFPVBQESA-N 0 1 222.288 2.006 20 0 BEADMN C[C@H]1CC[C@H](CC(=O)NCc2cc(N)ccn2)C1 ZINC001331441178 980121645 /nfs/dbraw/zinc/12/16/45/980121645.db2.gz DNEUUEVMRQKJNL-QWRGUYRKSA-N 0 1 247.342 2.106 20 0 BEADMN [O-]c1ccc(CC[NH+]2CCCC2)c(F)c1F ZINC001250166532 980124511 /nfs/dbraw/zinc/12/45/11/980124511.db2.gz QGDMDQOLFYNQJR-UHFFFAOYSA-N 0 1 227.254 2.309 20 0 BEADMN Cc1ccc2c(c1)CC[N@H+](CC1(C(=O)[O-])CC1)C2 ZINC001607827328 980134780 /nfs/dbraw/zinc/13/47/80/980134780.db2.gz AQHQFNCPCRWFGY-UHFFFAOYSA-N 0 1 245.322 2.218 20 0 BEADMN Cc1coc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001607921456 980138985 /nfs/dbraw/zinc/13/89/85/980138985.db2.gz AGDJJLGZYFBJOT-BXKDBHETSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001608047880 980154863 /nfs/dbraw/zinc/15/48/63/980154863.db2.gz DKQXBEZQTKNBRT-LBPRGKRZSA-N 0 1 235.283 2.271 20 0 BEADMN FC1(F)CCN(Cc2cccc3cncn32)C1 ZINC001238104551 980157036 /nfs/dbraw/zinc/15/70/36/980157036.db2.gz XAIZOVBFSDPCIR-UHFFFAOYSA-N 0 1 237.253 2.175 20 0 BEADMN COCC[N@H+](C)Cc1cc(Cl)c([O-])cc1F ZINC001238144581 980171159 /nfs/dbraw/zinc/17/11/59/980171159.db2.gz WASGALFAHPRKTI-UHFFFAOYSA-N 0 1 247.697 2.263 20 0 BEADMN COCC[N@@H+](C)Cc1cc(Cl)c([O-])cc1F ZINC001238144581 980171166 /nfs/dbraw/zinc/17/11/66/980171166.db2.gz WASGALFAHPRKTI-UHFFFAOYSA-N 0 1 247.697 2.263 20 0 BEADMN Oc1cc(F)c(CN2CC(F)C2)cc1Cl ZINC001238143659 980171888 /nfs/dbraw/zinc/17/18/88/980171888.db2.gz PIZOUQYJBSMINB-UHFFFAOYSA-N 0 1 233.645 2.338 20 0 BEADMN CC(C)N(Cc1c(N)ccnc1F)CC1CC1 ZINC001238152617 980176339 /nfs/dbraw/zinc/17/63/39/980176339.db2.gz CIBGJRPVHQZUGZ-UHFFFAOYSA-N 0 1 237.322 2.423 20 0 BEADMN COCCC1CCN(Cc2cncnc2C)CC1 ZINC001238163135 980190282 /nfs/dbraw/zinc/19/02/82/980190282.db2.gz DULJJKDUVNWCAG-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN COc1c(C)cnc(CN2CC[C@H]2C)c1C ZINC001238173325 980208711 /nfs/dbraw/zinc/20/87/11/980208711.db2.gz YDEJPEPACVEOEB-SNVBAGLBSA-N 0 1 220.316 2.301 20 0 BEADMN c1ncc(C2CC2)cc1CN1CC[C@H]2OCC[C@H]21 ZINC001238180980 980215603 /nfs/dbraw/zinc/21/56/03/980215603.db2.gz ATFVTJSDYJQMQU-HUUCEWRRSA-N 0 1 244.338 2.322 20 0 BEADMN C[C@H]1C[C@H](O)CCN1Cc1cncc(C2CC2)c1 ZINC001238186915 980219562 /nfs/dbraw/zinc/21/95/62/980219562.db2.gz GRFXWQFXIZJGNQ-XHDPSFHLSA-N 0 1 246.354 2.304 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001608569900 980234783 /nfs/dbraw/zinc/23/47/83/980234783.db2.gz ZGJINAVGUDGZPS-LBPRGKRZSA-N 0 1 231.295 2.298 20 0 BEADMN COc1ccc(CN(C)CC2CC2)c(F)c1O ZINC001238367006 980241273 /nfs/dbraw/zinc/24/12/73/980241273.db2.gz UZYXITOZKKIVDR-UHFFFAOYSA-N 0 1 239.290 2.382 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CCCOC2)c(C)c1 ZINC001238438200 980260028 /nfs/dbraw/zinc/26/00/28/980260028.db2.gz QVECPMBJGVVFMP-ZDUSSCGKSA-N 0 1 234.343 2.309 20 0 BEADMN COc1cc(CN(C)CCSC)cnc1F ZINC001238463788 980272973 /nfs/dbraw/zinc/27/29/73/980272973.db2.gz WVTPCQUXCQRUBS-UHFFFAOYSA-N 0 1 244.335 2.024 20 0 BEADMN Cc1ccc(OC(C)C)cc1CN1CC(CO)C1 ZINC001238487064 980274831 /nfs/dbraw/zinc/27/48/31/980274831.db2.gz UEPIRUDDNLQMDL-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN O=C([O-])C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001608748373 980276961 /nfs/dbraw/zinc/27/69/61/980276961.db2.gz QQBZYENWNZQOCU-ZFWWWQNUSA-N 0 1 245.322 2.472 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CC1CC2(CCC2)C1 ZINC001608813509 980289651 /nfs/dbraw/zinc/28/96/51/980289651.db2.gz USSOCWJGLXIGFC-QWRGUYRKSA-N 0 1 241.306 2.064 20 0 BEADMN Cc1cc(CN2CCC(O)CC2)cnc1C1CC1 ZINC001238617792 980302405 /nfs/dbraw/zinc/30/24/05/980302405.db2.gz YPJSORKXMXUPAG-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN CC[C@H]([NH2+]C(C)(C)c1ncc(C)s1)C(=O)[O-] ZINC001595278716 980313484 /nfs/dbraw/zinc/31/34/84/980313484.db2.gz HXEHYXXMAVBAHV-QMMMGPOBSA-N 0 1 242.344 2.139 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000691658839 980377549 /nfs/dbraw/zinc/37/75/49/980377549.db2.gz DHCDESIVKHIDKU-IFWUJCSASA-N 0 1 237.343 2.362 20 0 BEADMN COc1cnc(F)cc1-c1nccc(N)c1C ZINC001239021865 980411943 /nfs/dbraw/zinc/41/19/43/980411943.db2.gz MLUVCUSIPBDPPI-UHFFFAOYSA-N 0 1 233.246 2.182 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)OC[C@H](C)CC ZINC001239336873 980544071 /nfs/dbraw/zinc/54/40/71/980544071.db2.gz UXJCRJDPRAKNEV-VXGBXAGGSA-N 0 1 242.363 2.243 20 0 BEADMN COC(=O)c1ccc(CN(C)C2CC2)c(OC)c1 ZINC000075637793 980552185 /nfs/dbraw/zinc/55/21/85/980552185.db2.gz RQITYUCRHZIMBU-UHFFFAOYSA-N 0 1 249.310 2.076 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001345279780 980592494 /nfs/dbraw/zinc/59/24/94/980592494.db2.gz OYTZLQAAYGZVMF-PHDIDXHHSA-N 0 1 248.204 2.128 20 0 BEADMN c1nc(CSc2ncnc3ccccc32)n[nH]1 ZINC001188162759 980608908 /nfs/dbraw/zinc/60/89/08/980608908.db2.gz LKTPFQBHXAYFHZ-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCc1ccco1 ZINC001345442471 980611142 /nfs/dbraw/zinc/61/11/42/980611142.db2.gz VFELYQQSJRSBOP-UHFFFAOYSA-N 0 1 234.255 2.101 20 0 BEADMN Cc1cccc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001239486299 980636946 /nfs/dbraw/zinc/63/69/46/980636946.db2.gz OIOPNHDFVJREGX-UHFFFAOYSA-N 0 1 228.230 2.419 20 0 BEADMN COc1cccc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001239516849 980687878 /nfs/dbraw/zinc/68/78/78/980687878.db2.gz PHKFBBLYHVENJF-UHFFFAOYSA-N 0 1 244.229 2.119 20 0 BEADMN COc1nc(-c2cccc(F)c2)nc2[nH]cnc21 ZINC001239533758 980706833 /nfs/dbraw/zinc/70/68/33/980706833.db2.gz SSUKMUQZFHRBEB-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1cc(F)cc(C)c1C(=O)NCc1cnc[nH]1 ZINC001189265995 980768308 /nfs/dbraw/zinc/76/83/08/980768308.db2.gz QOHRECBDEGLSEQ-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001346165455 980772909 /nfs/dbraw/zinc/77/29/09/980772909.db2.gz IFWCFLNQBQZIDK-ZDUSSCGKSA-N 0 1 248.326 2.126 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001595370645 980843447 /nfs/dbraw/zinc/84/34/47/980843447.db2.gz AGXJXUDKCLNRNR-ATZCPNFKSA-N 0 1 247.285 2.074 20 0 BEADMN Cc1noc(Cc2cc3cn[nH]c3cc2C)n1 ZINC001250357056 980854501 /nfs/dbraw/zinc/85/45/01/980854501.db2.gz RAXYNLRFBGPTHN-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1noc(Cc2ccc(Cl)c(O)c2F)n1 ZINC001250357833 980857250 /nfs/dbraw/zinc/85/72/50/980857250.db2.gz PLNRCBVPZUEYHU-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN NC(=O)c1ccccc1-c1ccc2cncn2c1 ZINC001239761034 980900065 /nfs/dbraw/zinc/90/00/65/980900065.db2.gz IUUMMCROGRFFDK-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN CCc1nc(OC)ccc1-c1cc(N)ccn1 ZINC001239763635 980902973 /nfs/dbraw/zinc/90/29/73/980902973.db2.gz DFTRAVKTCHALFR-UHFFFAOYSA-N 0 1 229.283 2.297 20 0 BEADMN COc1ccc2nc(-c3cc(C)[nH]n3)[nH]c2c1 ZINC000716659381 980931616 /nfs/dbraw/zinc/93/16/16/980931616.db2.gz BMDABTDVXFVWAP-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN COc1ncc(-c2cc3[nH]ccc3c(C)n2)cn1 ZINC001239843491 980980115 /nfs/dbraw/zinc/98/01/15/980980115.db2.gz FBCPOTXMBOVLEF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595408953 981003390 /nfs/dbraw/zinc/00/33/90/981003390.db2.gz PRVZFWOCUPUOLH-KOLCDFICSA-N 0 1 236.315 2.333 20 0 BEADMN NC(=O)c1ccc(-c2cccn3cncc23)cc1 ZINC001239874232 981016220 /nfs/dbraw/zinc/01/62/20/981016220.db2.gz RYYQPTXBLKXQGR-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001239883452 981018478 /nfs/dbraw/zinc/01/84/78/981018478.db2.gz QXTZJMSETSTCSC-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN Cc1cnc(C)c(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001239892270 981022881 /nfs/dbraw/zinc/02/28/81/981022881.db2.gz ZDLJLWSRSPQKIJ-UHFFFAOYSA-N 0 1 239.282 2.292 20 0 BEADMN COc1cncc(-c2cncc3nc[nH]c32)c1 ZINC001239930484 981039292 /nfs/dbraw/zinc/03/92/92/981039292.db2.gz NMCZBQKQIMTWBA-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cncc(-c2cccn3cncc23)c1 ZINC001239932266 981041721 /nfs/dbraw/zinc/04/17/21/981041721.db2.gz NKNNNSLIYLURSQ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COC(=O)CCc1nc2ccc(F)c(C)c2[nH]1 ZINC001250428877 981064954 /nfs/dbraw/zinc/06/49/54/981064954.db2.gz PDFDJSKFURFQHP-UHFFFAOYSA-N 0 1 236.246 2.116 20 0 BEADMN CN(C)c1ccc2nc(-c3cc[nH]n3)[nH]c2c1 ZINC001250437848 981090726 /nfs/dbraw/zinc/09/07/26/981090726.db2.gz BHIZXDAJNJRQDR-UHFFFAOYSA-N 0 1 227.271 2.019 20 0 BEADMN c1cc2cnccc2c(-c2ncc3c(n2)CNC3)c1 ZINC001240006211 981094581 /nfs/dbraw/zinc/09/45/81/981094581.db2.gz AXRHGYPSZWSBBP-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN COc1ccc2nc(-c3cnc(C)nc3)[nH]c2c1 ZINC001250440263 981094850 /nfs/dbraw/zinc/09/48/50/981094850.db2.gz GMSPGRJMAXYVJJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN NCc1ncc(-c2cccc3cnccc32)cn1 ZINC001240009058 981097944 /nfs/dbraw/zinc/09/79/44/981097944.db2.gz JGCBOQDUIGDDLE-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN CC(C)Cn1c2ccccc2nc1-c1c[nH]nn1 ZINC001250445901 981116203 /nfs/dbraw/zinc/11/62/03/981116203.db2.gz MEQZPTQDKSDKLS-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN CC[C@H](C)CCC(=O)NCc1n[nH]c(C)c1C ZINC001347612911 981128621 /nfs/dbraw/zinc/12/86/21/981128621.db2.gz CRTMEFQUCXSCHF-VIFPVBQESA-N 0 1 237.347 2.469 20 0 BEADMN C=C/C(C)=C\CC(=O)NCc1n[nH]c(C)c1C ZINC001347613151 981129534 /nfs/dbraw/zinc/12/95/34/981129534.db2.gz FAINCUBIGWOUQC-TWGQIWQCSA-N 0 1 233.315 2.165 20 0 BEADMN Cc1ccnc(-c2cc(F)c(O)cc2F)n1 ZINC001250456163 981133870 /nfs/dbraw/zinc/13/38/70/981133870.db2.gz SYLNQRYLCDKVIY-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595459504 981138507 /nfs/dbraw/zinc/13/85/07/981138507.db2.gz XSBPSSUIDBLYIU-SNVBAGLBSA-N 0 1 222.288 2.087 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595468549 981164123 /nfs/dbraw/zinc/16/41/23/981164123.db2.gz YITJBDQNLBEDOX-JTQLQIEISA-N 0 1 222.288 2.006 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595468550 981164247 /nfs/dbraw/zinc/16/42/47/981164247.db2.gz YITJBDQNLBEDOX-SNVBAGLBSA-N 0 1 222.288 2.006 20 0 BEADMN c1cc2nccc(-c3ccc4nc[nH]c4c3)n2n1 ZINC001250479178 981169170 /nfs/dbraw/zinc/16/91/70/981169170.db2.gz IFCDBRJSHQEQPA-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCc1cccc(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC001192984161 981215375 /nfs/dbraw/zinc/21/53/75/981215375.db2.gz ZURUAICCKOMOMT-AWEZNQCLSA-N 0 1 246.354 2.073 20 0 BEADMN Cc1ccc([C@@H](C)Nc2nccnc2CN)s1 ZINC001347945147 981223306 /nfs/dbraw/zinc/22/33/06/981223306.db2.gz MDGCJASXXUHWPJ-SECBINFHSA-N 0 1 248.355 2.478 20 0 BEADMN Cc1cc2[nH]ccc2c(-c2cncnc2)n1 ZINC001240373167 981319907 /nfs/dbraw/zinc/31/99/07/981319907.db2.gz VXFJGQUEMZUTCG-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1scc(CNc2nccnc2CN)c1C ZINC001348271239 981322852 /nfs/dbraw/zinc/32/28/52/981322852.db2.gz PSAZPHSPYBKLQV-UHFFFAOYSA-N 0 1 248.355 2.226 20 0 BEADMN Cc1c(-c2cccc3nc[nH]c32)cnn1C ZINC001240380814 981337912 /nfs/dbraw/zinc/33/79/12/981337912.db2.gz HEVUMDZXRHNNCU-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cnn(C)c1C ZINC001240382258 981343575 /nfs/dbraw/zinc/34/35/75/981343575.db2.gz RTRBTQXWBFYFDK-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN c1cc2cc(-c3ccc4[nH]nnc4c3)cnc2[nH]1 ZINC001240391616 981350200 /nfs/dbraw/zinc/35/02/00/981350200.db2.gz MYWFQCNBYXULOY-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN c1cc2cc(-c3ccc4nn[nH]c4c3)cnc2[nH]1 ZINC001240391616 981350202 /nfs/dbraw/zinc/35/02/02/981350202.db2.gz MYWFQCNBYXULOY-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN CC/C=C(\F)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001348512537 981378542 /nfs/dbraw/zinc/37/85/42/981378542.db2.gz APHQTFCJLGGIOX-WDZFZDKYSA-N 0 1 242.338 2.193 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CCCC1CC1 ZINC001193626411 981389373 /nfs/dbraw/zinc/38/93/73/981389373.db2.gz IYIONWNDJHMJJO-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC1CC2(CC2)C1 ZINC001348598111 981403096 /nfs/dbraw/zinc/40/30/96/981403096.db2.gz KWDPICWYZHIIHZ-LBPRGKRZSA-N 0 1 237.343 2.345 20 0 BEADMN CCOc1ncccc1-c1cccc2[nH]nnc21 ZINC001240494988 981415393 /nfs/dbraw/zinc/41/53/93/981415393.db2.gz HQXTWUMWORNWPJ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCCCOC(=O)N1CCN(CC)CC1(C)C ZINC001193696144 981424533 /nfs/dbraw/zinc/42/45/33/981424533.db2.gz CXVGGOQUOKUKRW-UHFFFAOYSA-N 0 1 242.363 2.339 20 0 BEADMN CCN(CC)C(=O)c1ccc(F)c(O)c1F ZINC001193770593 981431496 /nfs/dbraw/zinc/43/14/96/981431496.db2.gz ORLJNCBRRGRMSL-UHFFFAOYSA-N 0 1 229.226 2.152 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)NCC(C)(C)F ZINC001348742510 981433383 /nfs/dbraw/zinc/43/33/83/981433383.db2.gz YKXWHOHDLZOWOD-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN CCCCCOC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001193762077 981444056 /nfs/dbraw/zinc/44/40/56/981444056.db2.gz IZTNEQZHJBQXQI-TXEJJXNPSA-N 0 1 242.363 2.338 20 0 BEADMN COC(=O)c1ccc(C)cc1-c1cn[nH]c1C ZINC001240518542 981447541 /nfs/dbraw/zinc/44/75/41/981447541.db2.gz PVRJBWUNXFFFHQ-UHFFFAOYSA-N 0 1 230.267 2.480 20 0 BEADMN CC(C)COC(=O)N1CCN(C(C)C)[C@@H](C)C1 ZINC001193832454 981469973 /nfs/dbraw/zinc/46/99/73/981469973.db2.gz LOHHEXSUAOUXQU-LBPRGKRZSA-N 0 1 242.363 2.194 20 0 BEADMN Cc1cc(F)cc(-c2cc3c(nn2)CNC3)c1 ZINC001240593017 981488788 /nfs/dbraw/zinc/48/87/88/981488788.db2.gz GWCDZPHIWVZSMS-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cc1cnccc1-c1ccc2[nH]nnc2c1 ZINC001240608102 981501577 /nfs/dbraw/zinc/50/15/77/981501577.db2.gz GQWJBOQXQJCIDR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cnccc1-c1ccc2nn[nH]c2c1 ZINC001240608102 981501593 /nfs/dbraw/zinc/50/15/93/981501593.db2.gz GQWJBOQXQJCIDR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CCC2(C)C)c1C ZINC001349148228 981511336 /nfs/dbraw/zinc/51/13/36/981511336.db2.gz PMEWOOGSAJCUOQ-SNVBAGLBSA-N 0 1 235.331 2.079 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001349148245 981512012 /nfs/dbraw/zinc/51/20/12/981512012.db2.gz PSMUMCVHCREFCF-VXGBXAGGSA-N 0 1 249.358 2.469 20 0 BEADMN COCC(C)=CC(=O)Nc1nc2ccccc2[nH]1 ZINC001349296376 981528375 /nfs/dbraw/zinc/52/83/75/981528375.db2.gz RXUQEWGOLIJDEL-VQHVLOKHSA-N 0 1 245.282 2.094 20 0 BEADMN CCC[C@H](C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1)OC ZINC001595590684 981546265 /nfs/dbraw/zinc/54/62/65/981546265.db2.gz CHSSSYSMTLXFIN-ZYHUDNBSSA-N 0 1 243.347 2.129 20 0 BEADMN CCn1cc(-c2cccc3nc[nH]c32)cn1 ZINC001240649040 981551447 /nfs/dbraw/zinc/55/14/47/981551447.db2.gz RPWAFSWKFGMSDX-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN c1cc2c(c(-c3cnc(C4CC4)nc3)n1)CCN2 ZINC001240682814 981586430 /nfs/dbraw/zinc/58/64/30/981586430.db2.gz VPFHTSWSSVBUHJ-UHFFFAOYSA-N 0 1 238.294 2.384 20 0 BEADMN CCCCCCOC(=O)N1C[C@@H]2C[C@H]1CN2C ZINC001194174838 981587577 /nfs/dbraw/zinc/58/75/77/981587577.db2.gz KLMHVMMJCVOKNJ-RYUDHWBXSA-N 0 1 240.347 2.092 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001203790371 981601403 /nfs/dbraw/zinc/60/14/03/981601403.db2.gz VYZINDFWOLMIDU-GFCCVEGCSA-N 0 1 221.275 2.237 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001594770258 981737648 /nfs/dbraw/zinc/73/76/48/981737648.db2.gz MULNJVGNYBQTDA-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001595628991 981794002 /nfs/dbraw/zinc/79/40/02/981794002.db2.gz UCLQEBFVOXRBAL-ONGXEEELSA-N 0 1 247.285 2.361 20 0 BEADMN c1cc2ccc(-c3ncc4c(n3)CNC4)cc2[nH]1 ZINC001240795002 981837108 /nfs/dbraw/zinc/83/71/08/981837108.db2.gz GBHYGGFRXRSYEH-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@@H](C)CC2)n[nH]1 ZINC001583928939 981844731 /nfs/dbraw/zinc/84/47/31/981844731.db2.gz QUOCVUFFKZSDAF-LLVKDONJSA-N 0 1 249.358 2.299 20 0 BEADMN C[C@H](CC(=O)OCc1nnc[nH]1)CC(C)(C)C ZINC001350036790 981851682 /nfs/dbraw/zinc/85/16/82/981851682.db2.gz GQTYPUZTPHVFBO-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN CC(C)CCCCCC(=O)OCc1nnc[nH]1 ZINC001350049479 981853881 /nfs/dbraw/zinc/85/38/81/981853881.db2.gz DKXKFJVSSLCVHL-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001594805334 981907711 /nfs/dbraw/zinc/90/77/11/981907711.db2.gz ZEDVSWSWXSXMGQ-JGVFFNPUSA-N 0 1 235.274 2.073 20 0 BEADMN CCCN1CCN(C(=O)OCCC(C)C)CC1 ZINC001194863298 981943078 /nfs/dbraw/zinc/94/30/78/981943078.db2.gz CZBACJDRSYOPOK-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CCCC(C)(C)C(=O)NCc1n[nH]c(C)c1C ZINC001350374743 981947842 /nfs/dbraw/zinc/94/78/42/981947842.db2.gz CZPSZBFZXXBZJE-UHFFFAOYSA-N 0 1 237.347 2.469 20 0 BEADMN c1nc2cc[nH]c(-c3ccc4c(c3)OCO4)c-2n1 ZINC001240896943 981948376 /nfs/dbraw/zinc/94/83/76/981948376.db2.gz UPWMZXWXTPILBT-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN c1nc2c(ccnc2-c2ccc3c(c2)OCO3)[nH]1 ZINC001240896943 981948383 /nfs/dbraw/zinc/94/83/83/981948383.db2.gz UPWMZXWXTPILBT-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN COCCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC001250602764 981951116 /nfs/dbraw/zinc/95/11/16/981951116.db2.gz MHVZJONXYLCNGG-UHFFFAOYSA-N 0 1 238.262 2.290 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2C=CCCC2)c1C ZINC001350389195 981957014 /nfs/dbraw/zinc/95/70/14/981957014.db2.gz SNXURYRXOKKGCI-LBPRGKRZSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)cc1N ZINC001240960172 982028658 /nfs/dbraw/zinc/02/86/58/982028658.db2.gz GOKJMKRJPQJUQD-UHFFFAOYSA-N 0 1 239.282 2.171 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2CC3(CC3)C2)n1 ZINC001350616495 982029829 /nfs/dbraw/zinc/02/98/29/982029829.db2.gz OSUJFXBDCGJCSY-UHFFFAOYSA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)C2CC3(CC3)C2)n[nH]1 ZINC001350616495 982029839 /nfs/dbraw/zinc/02/98/39/982029839.db2.gz OSUJFXBDCGJCSY-UHFFFAOYSA-N 0 1 234.303 2.057 20 0 BEADMN O=C(NCCN1CC=CC1)[C@H]1CCC=CCCC1 ZINC001350707041 982056208 /nfs/dbraw/zinc/05/62/08/982056208.db2.gz MAGIMPPJTSVUMS-AWEZNQCLSA-N 0 1 248.370 2.111 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1ccn(C)c(=O)c1 ZINC001240985331 982067792 /nfs/dbraw/zinc/06/77/92/982067792.db2.gz BTHYERRINFLATF-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Oc1ccccc1-c1cc2[nH]cnc2cn1 ZINC001241003648 982090556 /nfs/dbraw/zinc/09/05/56/982090556.db2.gz QWIDWPDXLQTHIV-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1ccccc1-c1ncc(CF)cn1 ZINC001241009751 982102691 /nfs/dbraw/zinc/10/26/91/982102691.db2.gz VVQKMCBPWGXWDO-UHFFFAOYSA-N 0 1 204.204 2.319 20 0 BEADMN COc1cc(OC)nc(-c2ccc(C)cc2O)n1 ZINC001241028904 982123711 /nfs/dbraw/zinc/12/37/11/982123711.db2.gz XFLBLTYMRJVDLZ-UHFFFAOYSA-N 0 1 246.266 2.175 20 0 BEADMN [NH3+]Cc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241123048 982200007 /nfs/dbraw/zinc/20/00/07/982200007.db2.gz RWVPXGRFLHAIEH-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN NCc1ncc(-c2cc(F)c(F)cc2F)cn1 ZINC001241111128 982219364 /nfs/dbraw/zinc/21/93/64/982219364.db2.gz HIUHAYATRPDAIJ-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN [NH3+]Cc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241117544 982233986 /nfs/dbraw/zinc/23/39/86/982233986.db2.gz RPIBRLZAXMUPLB-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN O=c1[nH]cccc1-c1cc2nc[nH]c2cc1F ZINC001241127879 982261008 /nfs/dbraw/zinc/26/10/08/982261008.db2.gz OVZIPSVCVDCGGC-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN C(=CC1CC1)CN[C@@H]1CCCc2c[nH]nc21 ZINC001351283302 982269147 /nfs/dbraw/zinc/26/91/47/982269147.db2.gz HPFYXKFQWJLNMW-QAVQXKDTSA-N 0 1 217.316 2.343 20 0 BEADMN CCc1ncc(CN2CC[C@H](C)[C@@H](OC)C2)o1 ZINC001351373330 982298973 /nfs/dbraw/zinc/29/89/73/982298973.db2.gz DNFQDMSZWATQKH-JQWIXIFHSA-N 0 1 238.331 2.094 20 0 BEADMN COC/C(C)=C\CN1CC(C)(C)OC[C@@H]1C ZINC001351398245 982306781 /nfs/dbraw/zinc/30/67/81/982306781.db2.gz DJESWGPRNGNUHN-DSDFTUOUSA-N 0 1 227.348 2.078 20 0 BEADMN Fc1cnccc1-c1nccc2[nH]cnc21 ZINC001241222324 982360620 /nfs/dbraw/zinc/36/06/20/982360620.db2.gz DRHXZGPPMBXSOW-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cnccc1-c1cncc2nc[nH]c21 ZINC001241226574 982372830 /nfs/dbraw/zinc/37/28/30/982372830.db2.gz KEEGHCUPGJQQQU-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cnccc1-c1cncc2[nH]cnc21 ZINC001241226574 982372840 /nfs/dbraw/zinc/37/28/40/982372840.db2.gz KEEGHCUPGJQQQU-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCOc1ccc(CNCCOC2CCC2)o1 ZINC001351999466 982430469 /nfs/dbraw/zinc/43/04/69/982430469.db2.gz IIKZOOKWAVSBMD-UHFFFAOYSA-N 0 1 239.315 2.337 20 0 BEADMN CN1CC=C(c2ncc(C(F)(F)F)cn2)CC1 ZINC001241307479 982442830 /nfs/dbraw/zinc/44/28/30/982442830.db2.gz BOLLSZZBOJYIEN-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN COc1ccc(CN2CC[C@H]2C)cc1OC ZINC001203837004 982446473 /nfs/dbraw/zinc/44/64/73/982446473.db2.gz OCWCPYHFTJINME-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN CSc1cccc(-c2ncc3c(n2)CNC3)c1 ZINC001241313682 982462122 /nfs/dbraw/zinc/46/21/22/982462122.db2.gz NUIOFJIFJVPFRM-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN CN1CC=C(c2cnc3c(n2)CCCC3)CC1 ZINC001241316561 982467426 /nfs/dbraw/zinc/46/74/26/982467426.db2.gz AEPVPYWGBZHRAX-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN Cc1cnc(F)c(C2=CCN(C)CC2)c1 ZINC001241317114 982467607 /nfs/dbraw/zinc/46/76/07/982467607.db2.gz JVQACPDQSTWCQH-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CC=C(c2ccc(F)nc2F)CC1 ZINC001241322955 982484559 /nfs/dbraw/zinc/48/45/59/982484559.db2.gz URCDHXDLYYBMAK-UHFFFAOYSA-N 0 1 210.227 2.079 20 0 BEADMN C[S@](=O)c1ccccc1-c1cc(N)ccn1 ZINC001241333885 982499686 /nfs/dbraw/zinc/49/96/86/982499686.db2.gz WMBHFDWJBACVSO-INIZCTEOSA-N 0 1 232.308 2.068 20 0 BEADMN Cc1nc(-c2nc3cc4c(cc3[nH]2)OCC4)c[nH]1 ZINC001251114319 982517351 /nfs/dbraw/zinc/51/73/51/982517351.db2.gz ABBNIPXSUVHHDX-UHFFFAOYSA-N 0 1 240.266 2.196 20 0 BEADMN CN(C)c1ccc(-c2cccn3cncc23)cn1 ZINC001241370747 982532185 /nfs/dbraw/zinc/53/21/85/982532185.db2.gz JJWSZMCVXGMXOV-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN Nc1ccnc(-c2cnc3cccnc3c2)c1 ZINC001241381419 982541270 /nfs/dbraw/zinc/54/12/70/982541270.db2.gz WQHOYYYCSDUBCM-UHFFFAOYSA-N 0 1 222.251 2.274 20 0 BEADMN COc1ncc(-c2cccn3cncc23)s1 ZINC001241415010 982562219 /nfs/dbraw/zinc/56/22/19/982562219.db2.gz QBHFVFIEMVOCPX-UHFFFAOYSA-N 0 1 231.280 2.466 20 0 BEADMN Cc1ccc(CSCc2nnc[nH]2)o1 ZINC001352750656 982565077 /nfs/dbraw/zinc/56/50/77/982565077.db2.gz WVJRJDWLHWRNDF-UHFFFAOYSA-N 0 1 209.274 2.140 20 0 BEADMN Cc1cc(C)c(CN2CC[C@]23CCOC3)c(C)n1 ZINC001352898920 982631073 /nfs/dbraw/zinc/63/10/73/982631073.db2.gz NZBRHLFGFWGRKO-OAHLLOKOSA-N 0 1 246.354 2.372 20 0 BEADMN CC(C)(C)ONC(=O)Cc1ccc(Cl)cn1 ZINC001352898134 982632350 /nfs/dbraw/zinc/63/23/50/982632350.db2.gz HFBYNLNXDOVZST-UHFFFAOYSA-N 0 1 242.706 2.124 20 0 BEADMN c1ncc(-c2ccc3cncn3c2)s1 ZINC001241497606 982654477 /nfs/dbraw/zinc/65/44/77/982654477.db2.gz NOTVEIZUGNIEES-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001589196941 982665002 /nfs/dbraw/zinc/66/50/02/982665002.db2.gz NDYQCMNEQHEDDL-CYBMUJFWSA-N 0 1 237.343 2.363 20 0 BEADMN OCc1cccc(-c2cccc3cncn32)c1 ZINC001241512001 982670556 /nfs/dbraw/zinc/67/05/56/982670556.db2.gz ZVLCELNMFVIVBQ-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN Fc1cccnc1-c1nccc2nc[nH]c21 ZINC001241524744 982692307 /nfs/dbraw/zinc/69/23/07/982692307.db2.gz WEZHITLCPWZSEJ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CN(C)Cc1ccc(-c2ncccc2F)nc1 ZINC001241528689 982695293 /nfs/dbraw/zinc/69/52/93/982695293.db2.gz FPNCTHASHNZCAZ-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CCC[C@@H](C)NC(=O)c1ccc2n1CCN[C@@H]2C ZINC001353102700 982699237 /nfs/dbraw/zinc/69/92/37/982699237.db2.gz PGNOJEMNVHUPBJ-GHMZBOCLSA-N 0 1 249.358 2.071 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)n1 ZINC001198407158 982705849 /nfs/dbraw/zinc/70/58/49/982705849.db2.gz RCMLJRQMJPTPJI-NXEZZACHSA-N 0 1 235.331 2.330 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C)C(C)(C)C)n[nH]1 ZINC001300206673 982712742 /nfs/dbraw/zinc/71/27/42/982712742.db2.gz NQDCSCYJFUCGLJ-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])n1C ZINC001594961103 982713913 /nfs/dbraw/zinc/71/39/13/982713913.db2.gz UQGCFKAVOOJNTH-SNVBAGLBSA-N 0 1 238.331 2.201 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594961222 982714739 /nfs/dbraw/zinc/71/47/39/982714739.db2.gz YWJYCYMNNBJHFV-KOLCDFICSA-N 0 1 241.331 2.112 20 0 BEADMN C[C@@H]1CCc2c(C(=O)N[C@@H]3CC34CCC4)[nH]nc21 ZINC001198464838 982735033 /nfs/dbraw/zinc/73/50/33/982735033.db2.gz WEOXFNYVZSQWGB-PSASIEDQSA-N 0 1 245.326 2.132 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC001589444766 982792946 /nfs/dbraw/zinc/79/29/46/982792946.db2.gz FGBIWXFSDUXBQA-DGCLKSJQSA-N 0 1 248.326 2.043 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC001589444765 982795454 /nfs/dbraw/zinc/79/54/54/982795454.db2.gz FGBIWXFSDUXBQA-AAEUAGOBSA-N 0 1 248.326 2.043 20 0 BEADMN CN1CCC=C(c2ncccc2OC(F)F)C1 ZINC001241564855 982802788 /nfs/dbraw/zinc/80/27/88/982802788.db2.gz CEPWNTCVJRNMGF-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CN1CCC=C(c2nncc3cc(F)ccc32)C1 ZINC001241566486 982809026 /nfs/dbraw/zinc/80/90/26/982809026.db2.gz ZJYWICJNUROSDS-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CCCc1ccc(C2=CCCN(C)C2)nn1 ZINC001241568447 982811991 /nfs/dbraw/zinc/81/19/91/982811991.db2.gz RLRLNAWBLAIYPZ-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CC(C)c1nccnc1C1=CCCN(C)C1 ZINC001241568413 982813077 /nfs/dbraw/zinc/81/30/77/982813077.db2.gz QTOQATYXJSMPAO-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CCO/C=C\c1nccnc1C1=CCCN(C)C1 ZINC001241567397 982813637 /nfs/dbraw/zinc/81/36/37/982813637.db2.gz ZQDLCEJCFVOOQH-POHAHGRESA-N 0 1 245.326 2.203 20 0 BEADMN CN1CCC=C(c2cnc(C(F)(F)F)nc2)C1 ZINC001241569634 982814756 /nfs/dbraw/zinc/81/47/56/982814756.db2.gz JJSYXHUWKSVIGX-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN COc1cc(OC)cc(C2=CCCN(C)C2)c1 ZINC001241568533 982816098 /nfs/dbraw/zinc/81/60/98/982816098.db2.gz FYYXIYLATJJZCJ-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN COC(=O)c1ccc(C2=CCCN(C)C2)cc1F ZINC001241568805 982817275 /nfs/dbraw/zinc/81/72/75/982817275.db2.gz KBSQOSZCFRJOIV-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN COc1ccc(-c2nccc(N)c2C)c(OC)n1 ZINC001241572737 982826284 /nfs/dbraw/zinc/82/62/84/982826284.db2.gz AUGMHNXIASKHIX-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589674961 982861463 /nfs/dbraw/zinc/86/14/63/982861463.db2.gz KVYWBKKWPWALAJ-QWHCGFSZSA-N 0 1 233.311 2.197 20 0 BEADMN COc1nccnc1-c1ccc2c(c1)n[nH]c2C ZINC001241636844 982873802 /nfs/dbraw/zinc/87/38/02/982873802.db2.gz HMLVZAQMJAXMTA-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2cc(-c3ccc(F)nn3)ccc12 ZINC001241638423 982877203 /nfs/dbraw/zinc/87/72/03/982877203.db2.gz PFHTZFDAFUJUCC-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cc(-c2cc(N)c(C)cn2)c(F)cn1 ZINC001241662174 982895079 /nfs/dbraw/zinc/89/50/79/982895079.db2.gz XVIBFAAWWLIOIM-UHFFFAOYSA-N 0 1 233.246 2.182 20 0 BEADMN Cc1[nH]nc2ccc(-c3cnc(F)cn3)cc12 ZINC001241668380 982906925 /nfs/dbraw/zinc/90/69/25/982906925.db2.gz BMWHPZYNPBCQHB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cnc(-c2ccc3[nH]cnc3c2)nc1C ZINC001241680746 982928222 /nfs/dbraw/zinc/92/82/22/982928222.db2.gz NDLQCOLYEWDHLL-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cnc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241680622 982928718 /nfs/dbraw/zinc/92/87/18/982928718.db2.gz KHITUPIADPMVFD-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COCc1nccnc1-c1ccc2[nH]cnc2c1 ZINC001241685900 982932270 /nfs/dbraw/zinc/93/22/70/982932270.db2.gz SOAIYBGOKTUHMN-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN CCOc1nccc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685107 982934383 /nfs/dbraw/zinc/93/43/83/982934383.db2.gz DRJXBWYHFOZEBK-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001241686265 982934609 /nfs/dbraw/zinc/93/46/09/982934609.db2.gz YRHXGNKXCKWSOX-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cn1cc(-c2ccc3nc[nH]c3c2)cc(F)c1=O ZINC001241705169 982967597 /nfs/dbraw/zinc/96/75/97/982967597.db2.gz UMYZVMZZCTWESN-UHFFFAOYSA-N 0 1 243.241 2.068 20 0 BEADMN COc1cc(-c2cnc(CN)nc2)ccc1Cl ZINC001241734232 983024401 /nfs/dbraw/zinc/02/44/01/983024401.db2.gz LFDOAGZQVHJNIH-UHFFFAOYSA-N 0 1 249.701 2.264 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241835300 983083886 /nfs/dbraw/zinc/08/38/86/983083886.db2.gz INZMMGUZZOJZFV-UHFFFAOYSA-N 0 1 246.241 2.477 20 0 BEADMN c1nc(-c2ccc3nn[nH]c3c2)cs1 ZINC001241890500 983106114 /nfs/dbraw/zinc/10/61/14/983106114.db2.gz DYKIQOQMCMYKPV-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(C2CC2)c1 ZINC001241904984 983116720 /nfs/dbraw/zinc/11/67/20/983116720.db2.gz YGZKQMGOSHMZNN-UHFFFAOYSA-N 0 1 214.272 2.171 20 0 BEADMN Cc1nccc(-c2ccc3nn[nH]c3c2)c1F ZINC001241941935 983145409 /nfs/dbraw/zinc/14/54/09/983145409.db2.gz FZTCWGVZZYQLTN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nccc(-c2ccc3[nH]nnc3c2)c1F ZINC001241941935 983145414 /nfs/dbraw/zinc/14/54/14/983145414.db2.gz FZTCWGVZZYQLTN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCCc1cncnc1-c1ccc2nn[nH]c2c1 ZINC001241938259 983148604 /nfs/dbraw/zinc/14/86/04/983148604.db2.gz KUTYUXCJUXOGNI-UHFFFAOYSA-N 0 1 239.282 2.367 20 0 BEADMN CCCc1cncnc1-c1ccc2[nH]nnc2c1 ZINC001241938259 983148615 /nfs/dbraw/zinc/14/86/15/983148615.db2.gz KUTYUXCJUXOGNI-UHFFFAOYSA-N 0 1 239.282 2.367 20 0 BEADMN CSc1nccc(-c2ccc3nn[nH]c3c2)n1 ZINC001241938167 983152284 /nfs/dbraw/zinc/15/22/84/983152284.db2.gz GLYSREPBNRAEJO-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN S=c1ccc(-c2ccc3[nH]nnc3c2)c[nH]1 ZINC001241940981 983155516 /nfs/dbraw/zinc/15/55/16/983155516.db2.gz USSRXIWGBFFXQW-UHFFFAOYSA-N 0 1 228.280 2.309 20 0 BEADMN S=c1ccc(-c2ccc3nn[nH]c3c2)c[nH]1 ZINC001241940981 983155522 /nfs/dbraw/zinc/15/55/22/983155522.db2.gz USSRXIWGBFFXQW-UHFFFAOYSA-N 0 1 228.280 2.309 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)c(F)n1 ZINC001241941235 983157174 /nfs/dbraw/zinc/15/71/74/983157174.db2.gz UYGRLDIXNHJSQK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)c(F)n1 ZINC001241941235 983157186 /nfs/dbraw/zinc/15/71/86/983157186.db2.gz UYGRLDIXNHJSQK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)c(C)n1 ZINC001241941344 983159178 /nfs/dbraw/zinc/15/91/78/983159178.db2.gz WZWLFKSIHVKJSB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)c(C)n1 ZINC001241941344 983159185 /nfs/dbraw/zinc/15/91/85/983159185.db2.gz WZWLFKSIHVKJSB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C=Cc1ncc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241944112 983165160 /nfs/dbraw/zinc/16/51/60/983165160.db2.gz HSDCIQXECSYLMW-UHFFFAOYSA-N 0 1 223.239 2.058 20 0 BEADMN C=Cc1ncc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241944112 983165161 /nfs/dbraw/zinc/16/51/61/983165161.db2.gz HSDCIQXECSYLMW-UHFFFAOYSA-N 0 1 223.239 2.058 20 0 BEADMN Nc1ccc(Nc2ccc3nccn3c2)cn1 ZINC001201275317 983177043 /nfs/dbraw/zinc/17/70/43/983177043.db2.gz ABRUFCHXQRCSJT-UHFFFAOYSA-N 0 1 225.255 2.055 20 0 BEADMN c1nn2cccnc2c1NC1=CCSCC1 ZINC001201331860 983180387 /nfs/dbraw/zinc/18/03/87/983180387.db2.gz IHECSUSJZXEYSK-UHFFFAOYSA-N 0 1 232.312 2.162 20 0 BEADMN CCc1cnc(NC2=CCSCC2)cn1 ZINC001201332784 983182264 /nfs/dbraw/zinc/18/22/64/983182264.db2.gz XYRHUARMGDVXLA-UHFFFAOYSA-N 0 1 221.329 2.472 20 0 BEADMN Cc1cc(NC2=CCSCC2)nn1C ZINC001201327839 983187958 /nfs/dbraw/zinc/18/79/58/983187958.db2.gz XSRWONYVKRFQEV-UHFFFAOYSA-N 0 1 209.318 2.161 20 0 BEADMN Cc1c(N=C2CCSCC2)ncn1C ZINC001201332997 983190819 /nfs/dbraw/zinc/19/08/19/983190819.db2.gz HPOXXWONDKLGQT-UHFFFAOYSA-N 0 1 209.318 2.161 20 0 BEADMN Cc1ncc2n1CCN(C[C@@H]1CC=CCC1)C2 ZINC001201408667 983206296 /nfs/dbraw/zinc/20/62/96/983206296.db2.gz IFVCLRYYNUDEHI-CYBMUJFWSA-N 0 1 231.343 2.363 20 0 BEADMN CC(C)(C)CN1CCC(=O)[C@@H](F)CC1 ZINC001201433425 983226606 /nfs/dbraw/zinc/22/66/06/983226606.db2.gz YYNVMEDYAGMPFC-VIFPVBQESA-N 0 1 201.285 2.036 20 0 BEADMN COCc1noc2c1CN(CC(C)(C)C)CC2 ZINC001201434166 983238426 /nfs/dbraw/zinc/23/84/26/983238426.db2.gz DMMWQBCHLKRSIJ-UHFFFAOYSA-N 0 1 238.331 2.225 20 0 BEADMN Cc1noc(N[C@H]2c3ccccc3OC[C@@H]2F)n1 ZINC001354267049 983240181 /nfs/dbraw/zinc/24/01/81/983240181.db2.gz FCAJPCLILIRWHD-ONGXEEELSA-N 0 1 249.245 2.262 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CC(=O)N[C@H](C)C1 ZINC001201485822 983254414 /nfs/dbraw/zinc/25/44/14/983254414.db2.gz KNDBXLXNKZUBDJ-QWHCGFSZSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCNC(=O)[C@H]1C ZINC001201489698 983256858 /nfs/dbraw/zinc/25/68/58/983256858.db2.gz FCSXDLQLOUXYTH-QWHCGFSZSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCNC(=O)[C@@H]1C ZINC001201489697 983259710 /nfs/dbraw/zinc/25/97/10/983259710.db2.gz FCSXDLQLOUXYTH-OLZOCXBDSA-N 0 1 238.375 2.189 20 0 BEADMN COc1ccncc1-c1cc2[nH]nnc2cc1F ZINC001242057283 983266158 /nfs/dbraw/zinc/26/61/58/983266158.db2.gz NUEPRWOPVBMLMK-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCCC[C@H](O)CNc1cc(C)ccn1 ZINC001252077682 983279366 /nfs/dbraw/zinc/27/93/66/983279366.db2.gz IEIYDKGCCNPYMX-NSHDSACASA-N 0 1 208.305 2.353 20 0 BEADMN CC(C)CN1CCO[C@H](c2ccncc2)C1 ZINC001201478487 983283364 /nfs/dbraw/zinc/28/33/64/983283364.db2.gz MWNFGFNOAKQORX-ZDUSSCGKSA-N 0 1 220.316 2.111 20 0 BEADMN CNc1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001242065927 983292637 /nfs/dbraw/zinc/29/26/37/983292637.db2.gz DLVVYAMHLWUUFF-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1ccc(-c2[nH]ccc3ncnc2-3)cn1 ZINC001242065927 983292641 /nfs/dbraw/zinc/29/26/41/983292641.db2.gz DLVVYAMHLWUUFF-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1ccc(-c2cccn3cncc23)cn1 ZINC001242071480 983308053 /nfs/dbraw/zinc/30/80/53/983308053.db2.gz SVRPNKXLXKLQNB-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN CCc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)[O-])C2 ZINC001593640850 983324559 /nfs/dbraw/zinc/32/45/59/983324559.db2.gz NDAKHYRDAFENOO-JTQLQIEISA-N 0 1 233.311 2.080 20 0 BEADMN Cc1ncc2n1CCN(CCc1ccccc1)C2 ZINC001201596969 983325873 /nfs/dbraw/zinc/32/58/73/983325873.db2.gz PFKQWJOUJIGPEH-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN CN(C)/C=C/c1ccncc1C1=CCOCC1 ZINC001242079881 983330236 /nfs/dbraw/zinc/33/02/36/983330236.db2.gz RDEYKWDRSWDPGX-XBXARRHUSA-N 0 1 230.311 2.418 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC001593803696 983371704 /nfs/dbraw/zinc/37/17/04/983371704.db2.gz QRIHCQCJLHFNHE-AWEZNQCLSA-N 0 1 248.326 2.167 20 0 BEADMN CC(C)CCN1CCC(=O)[C@@H](F)CC1 ZINC001201613469 983373860 /nfs/dbraw/zinc/37/38/60/983373860.db2.gz IWKBVBZPGPBYOB-JTQLQIEISA-N 0 1 201.285 2.036 20 0 BEADMN c1nc(-c2cncc(C3CC3)c2)nc2c1CNC2 ZINC001242193516 983401576 /nfs/dbraw/zinc/40/15/76/983401576.db2.gz CKOFQOWIOZNIIV-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN COC1(C)CN(CCCc2ccccc2)C1 ZINC001201653037 983403978 /nfs/dbraw/zinc/40/39/78/983403978.db2.gz PCXNHHVUVDIIRJ-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN c1ccc(CCCN2CC3(C2)CCCO3)cc1 ZINC001201656126 983408029 /nfs/dbraw/zinc/40/80/29/983408029.db2.gz UJSDTHGVQCOVOX-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN Cc1nccc(-c2ccc(F)cc2O)n1 ZINC001242215840 983411234 /nfs/dbraw/zinc/41/12/34/983411234.db2.gz JCEZQOOVYFPTJL-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN COc1cc(C)c(-c2ccc(F)cc2O)nn1 ZINC001242215694 983411476 /nfs/dbraw/zinc/41/14/76/983411476.db2.gz FVYIZHOQOWBEKX-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN CN(C)c1nccnc1-c1ccc(F)cc1O ZINC001242216467 983411714 /nfs/dbraw/zinc/41/17/14/983411714.db2.gz VCYAOIWULMPUTD-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Cc1cncc(-c2ccc(F)cc2O)n1 ZINC001242215864 983412538 /nfs/dbraw/zinc/41/25/38/983412538.db2.gz KAFRSEADJWJKEE-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1ccnc(-c2ccc(F)cc2O)c1C(N)=O ZINC001242215874 983413153 /nfs/dbraw/zinc/41/31/53/983413153.db2.gz KCFZSLUTMVSBPW-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Nc1cc[nH+]cc1-c1ccc(F)cc1[O-] ZINC001242220669 983424466 /nfs/dbraw/zinc/42/44/66/983424466.db2.gz KDNMVVQVOFYNFI-UHFFFAOYSA-N 0 1 204.204 2.006 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccnc1C1CC1 ZINC001355165048 983433650 /nfs/dbraw/zinc/43/36/50/983433650.db2.gz LSHHNCDYDRUSAO-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN FC1(F)CC=C(c2cc3c(nn2)CNC3)CC1 ZINC001242232275 983435112 /nfs/dbraw/zinc/43/51/12/983435112.db2.gz LNUCZXUZWHHPDJ-UHFFFAOYSA-N 0 1 237.253 2.282 20 0 BEADMN Cc1cccc(-c2ncc3c(n2)CNC3)c1F ZINC001242235861 983441584 /nfs/dbraw/zinc/44/15/84/983441584.db2.gz CBCYBKFUZBBCJM-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cn1cncc1Nc1cc2ccccc2[nH]c1=O ZINC001201753389 983455232 /nfs/dbraw/zinc/45/52/32/983455232.db2.gz UQRSKTLFWRVWJQ-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN c1cnc2cc(-c3ncnc4c3CNC4)ccc2c1 ZINC001242247685 983458588 /nfs/dbraw/zinc/45/85/88/983458588.db2.gz HIKZWLVERRKGDQ-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2CC=CCC2)[nH]1 ZINC001355303522 983464972 /nfs/dbraw/zinc/46/49/72/983464972.db2.gz ZVMUSLNZWABSBO-SECBINFHSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2CC=CCC2)n1 ZINC001355303522 983464976 /nfs/dbraw/zinc/46/49/76/983464976.db2.gz ZVMUSLNZWABSBO-SECBINFHSA-N 0 1 234.303 2.052 20 0 BEADMN Cc1c(F)cc(-c2ncnc3c2CNC3)cc1F ZINC001242285968 983505279 /nfs/dbraw/zinc/50/52/79/983505279.db2.gz VYIRSROVXSGZMQ-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CC(C)(C)N1CC(NC(=O)Nc2ccccc2)C1 ZINC001201962111 983528603 /nfs/dbraw/zinc/52/86/03/983528603.db2.gz PBAWMRCAZRUYJM-UHFFFAOYSA-N 0 1 247.342 2.291 20 0 BEADMN CC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596193194 983573654 /nfs/dbraw/zinc/57/36/54/983573654.db2.gz OZGPZIQSMFBBEW-UHFFFAOYSA-N 0 1 227.691 2.490 20 0 BEADMN Nc1cnc(-c2cccc(F)c2O)c(F)c1 ZINC001242349089 983609599 /nfs/dbraw/zinc/60/95/99/983609599.db2.gz IQYNMOCQOJJHIN-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN O=C1Cc2cnc(-c3cccc(F)c3O)cc2N1 ZINC001242349052 983610353 /nfs/dbraw/zinc/61/03/53/983610353.db2.gz GMHAVSQQHVPUPW-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@]1(C)O ZINC001202308260 983618866 /nfs/dbraw/zinc/61/88/66/983618866.db2.gz YGDFMFWYPWXGKL-IUCAKERBSA-N 0 1 225.254 2.032 20 0 BEADMN Oc1c(F)cccc1-c1ncnc2c1COC2 ZINC001242350429 983618856 /nfs/dbraw/zinc/61/88/56/983618856.db2.gz FICPNBOOHSJRQC-UHFFFAOYSA-N 0 1 232.214 2.019 20 0 BEADMN NCc1ncc(-c2cccc3cc[nH]c32)cn1 ZINC001242359755 983648061 /nfs/dbraw/zinc/64/80/61/983648061.db2.gz KETRMWNDXADFDC-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccc(F)nc2)cn1 ZINC001202396378 983653421 /nfs/dbraw/zinc/65/34/21/983653421.db2.gz AVPCVMJZALFEDS-SNVBAGLBSA-N 0 1 248.305 2.288 20 0 BEADMN COC[C@@H]1CCN1CCCC(F)(F)F ZINC001202444043 983663291 /nfs/dbraw/zinc/66/32/91/983663291.db2.gz CILDGUGCVSRIIF-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN CC(=O)c1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001242398256 983680379 /nfs/dbraw/zinc/68/03/79/983680379.db2.gz NYNMAXYTTFFNPN-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CCCC[C@H](O)CNCC(=O)c1ccc(C)cc1 ZINC001252113499 983701082 /nfs/dbraw/zinc/70/10/82/983701082.db2.gz DXZKZRCUAGXNEP-AWEZNQCLSA-N 0 1 249.354 2.318 20 0 BEADMN Cc1ncc(-c2cc(N(C)C)ccn2)cc1N ZINC001242409220 983715139 /nfs/dbraw/zinc/71/51/39/983715139.db2.gz QOQBOLHHKUKRGV-UHFFFAOYSA-N 0 1 228.299 2.100 20 0 BEADMN Cc1nc(-c2cnn(C(C)C)c2)nc2nc[nH]c21 ZINC001242434810 983738073 /nfs/dbraw/zinc/73/80/73/983738073.db2.gz QIMFNCNBLBIHIS-UHFFFAOYSA-N 0 1 242.286 2.057 20 0 BEADMN Cc1noc(C)c1CN1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473294564 983748180 /nfs/dbraw/zinc/74/81/80/983748180.db2.gz QKTDZPGSDFBQIB-WDEREUQCSA-N 0 1 242.269 2.378 20 0 BEADMN CC[N@@H+](CCCC(=O)c1ccccc1)CC(=O)[O-] ZINC001596320996 983752953 /nfs/dbraw/zinc/75/29/53/983752953.db2.gz YYSPQKOULXMCJE-UHFFFAOYSA-N 0 1 249.310 2.056 20 0 BEADMN O=C(Nc1cnoc1)c1scnc1C(F)F ZINC001357932098 983805565 /nfs/dbraw/zinc/80/55/65/983805565.db2.gz WNFAIOAAECXIIB-UHFFFAOYSA-N 0 1 245.210 2.321 20 0 BEADMN CC[C@H](F)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001358074509 983823158 /nfs/dbraw/zinc/82/31/58/983823158.db2.gz QMMXCXQRVJTOCN-VIFPVBQESA-N 0 1 248.261 2.158 20 0 BEADMN CC(C)n1nccc1-c1nccc2c1CCN2 ZINC001242554702 983876126 /nfs/dbraw/zinc/87/61/26/983876126.db2.gz HJBURMSQYZLOCA-UHFFFAOYSA-N 0 1 228.299 2.494 20 0 BEADMN CC[C@H]1CCN(Cc2nn(CC)nc2C)[C@H]1C ZINC001473402560 983883525 /nfs/dbraw/zinc/88/35/25/983883525.db2.gz KYTHNGPSSILQOL-RYUDHWBXSA-N 0 1 236.363 2.227 20 0 BEADMN C[C@@H]1CCN1Cc1ccc(N2CCCC2)o1 ZINC001137061317 983892898 /nfs/dbraw/zinc/89/28/98/983892898.db2.gz QIHKRKYBFOZVDE-LLVKDONJSA-N 0 1 220.316 2.474 20 0 BEADMN CCC[C@@H](O)CN[C@H]1COc2ccc(F)cc21 ZINC001252804270 983897888 /nfs/dbraw/zinc/89/78/88/983897888.db2.gz JDCSNESINAEZKL-PWSUYJOCSA-N 0 1 239.290 2.010 20 0 BEADMN CCNC(=O)Nc1cnccc1N1CCCCC1 ZINC001202539419 983913400 /nfs/dbraw/zinc/91/34/00/983913400.db2.gz GAAMJSIDAPHUGP-UHFFFAOYSA-N 0 1 248.330 2.213 20 0 BEADMN Cc1cccc2c(CN3CC[C@@H]3C)[nH]nc21 ZINC001137141742 983966985 /nfs/dbraw/zinc/96/69/85/983966985.db2.gz HHABSJZVRGKBJU-JTQLQIEISA-N 0 1 215.300 2.466 20 0 BEADMN Cc1cccc2c(CN3CC(C)C3)[nH]nc21 ZINC001137141795 983967865 /nfs/dbraw/zinc/96/78/65/983967865.db2.gz JCHTWKSKOVQGQP-UHFFFAOYSA-N 0 1 215.300 2.323 20 0 BEADMN C=C/C=C\CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588721025 983971208 /nfs/dbraw/zinc/97/12/08/983971208.db2.gz LFJXXFMDGYWLMJ-KBIXYVOKSA-N 0 1 223.316 2.161 20 0 BEADMN CN(C)Cc1cccc(-c2c[nH]c(=O)c(F)c2)n1 ZINC001242614351 983994534 /nfs/dbraw/zinc/99/45/34/983994534.db2.gz CXCXWGIUAIWVTN-UHFFFAOYSA-N 0 1 247.273 2.050 20 0 BEADMN O=c1[nH]cc(-c2cccn3cncc23)cc1F ZINC001242617803 984002871 /nfs/dbraw/zinc/00/28/71/984002871.db2.gz FEYPLVGPHLTLGZ-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN O=c1[nH]cc(-c2cccc3cncn32)cc1F ZINC001242616505 984003390 /nfs/dbraw/zinc/00/33/90/984003390.db2.gz SBRLNVNMPUBMQH-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(Cl)nc1 ZINC001137162674 984009425 /nfs/dbraw/zinc/00/94/25/984009425.db2.gz AIFHUFRKWYJEJA-ONGXEEELSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cccc(=O)[nH]2)on1 ZINC001212786331 984011587 /nfs/dbraw/zinc/01/15/87/984011587.db2.gz PNLSVUPTIORSLO-MRVPVSSYSA-N 0 1 233.271 2.127 20 0 BEADMN CN(Cc1cccc2cccnc21)C1(C)COC1 ZINC001137176803 984024242 /nfs/dbraw/zinc/02/42/42/984024242.db2.gz OHUKIOCQZAHKEJ-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN C/C=C(\C)c1cc(-c2nn[nH]n2)ccc1F ZINC001242760510 984124005 /nfs/dbraw/zinc/12/40/05/984124005.db2.gz RAAWWSPLIRGXBQ-XVNBXDOJSA-N 0 1 218.235 2.429 20 0 BEADMN F[C@@H]1CN(CC2CCC2)CCC1(F)F ZINC001202706099 984159345 /nfs/dbraw/zinc/15/93/45/984159345.db2.gz PFBNGQYWDPCCDC-SECBINFHSA-N 0 1 207.239 2.466 20 0 BEADMN CSc1ccc(F)cc1-c1cnc(CN)nc1 ZINC001205975010 984155548 /nfs/dbraw/zinc/15/55/48/984155548.db2.gz MOJGMHGCMKKPMK-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN c1ccc2nc(-c3cc4c(nn3)CNC4)ccc2c1 ZINC001242773651 984158757 /nfs/dbraw/zinc/15/87/57/984158757.db2.gz YNMFFOZCEBLORV-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCOCc1ncn2c1CN(CC1CCC1)CC2 ZINC001202732413 984179201 /nfs/dbraw/zinc/17/92/01/984179201.db2.gz HSDWHTCCKKOJKY-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN Nc1c(F)cc(-c2[nH]ccc3ncnc2-3)cc1F ZINC001242838260 984188135 /nfs/dbraw/zinc/18/81/35/984188135.db2.gz ZAPJREFRTCCKGA-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Nc1c(F)cc(-c2nccc3[nH]cnc32)cc1F ZINC001242838260 984188137 /nfs/dbraw/zinc/18/81/37/984188137.db2.gz ZAPJREFRTCCKGA-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN CC[C@@H](NC(=O)[C@H](N)c1ccccc1C)C1CC1 ZINC001577153926 984190797 /nfs/dbraw/zinc/19/07/97/984190797.db2.gz UNRJIWQJAVALSJ-ZIAGYGMSSA-N 0 1 246.354 2.300 20 0 BEADMN CCCn1nccc1-c1nccc(N)c1C ZINC001242842763 984192235 /nfs/dbraw/zinc/19/22/35/984192235.db2.gz GDBQDOQNJWWMSK-UHFFFAOYSA-N 0 1 216.288 2.246 20 0 BEADMN CCCn1nccc1-c1ccc2[nH]nnc2c1 ZINC001242844640 984192858 /nfs/dbraw/zinc/19/28/58/984192858.db2.gz KACZLRYLCKDBND-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN c1csc(CN2CC(N3CCCCC3)C2)c1 ZINC001204015414 984219705 /nfs/dbraw/zinc/21/97/05/984219705.db2.gz AQGKVXVFWRTRHE-UHFFFAOYSA-N 0 1 236.384 2.418 20 0 BEADMN c1csc(CN2CCCC23COC3)c1 ZINC001204015440 984220312 /nfs/dbraw/zinc/22/03/12/984220312.db2.gz RTFZZTKCAQOFEZ-UHFFFAOYSA-N 0 1 209.314 2.113 20 0 BEADMN CSc1ccccc1-c1ncc2c(n1)CNC2 ZINC001242944822 984307984 /nfs/dbraw/zinc/30/79/84/984307984.db2.gz KJCKMPBZCYLLMH-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN COCc1cncc(-c2cc(N(C)C)ccn2)c1 ZINC001242950708 984314669 /nfs/dbraw/zinc/31/46/69/984314669.db2.gz PEKBEDZIXYPNPM-UHFFFAOYSA-N 0 1 243.310 2.356 20 0 BEADMN c1nc2c(ccnc2-c2cnn3ccccc23)[nH]1 ZINC001242961849 984323668 /nfs/dbraw/zinc/32/36/68/984323668.db2.gz OCUZXACILQADRX-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C/C=C\Cl)C1 ZINC000389309035 984327630 /nfs/dbraw/zinc/32/76/30/984327630.db2.gz BBIOYWFMAVZQDQ-MZBZXASESA-N 0 1 231.723 2.172 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1cncc(CO)c1 ZINC001242971664 984339245 /nfs/dbraw/zinc/33/92/45/984339245.db2.gz ZQLXHEAMVFGNLX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)[nH]1 ZINC001439511844 984391779 /nfs/dbraw/zinc/39/17/79/984391779.db2.gz OCECLQVJYVWXPV-SFYZADRCSA-N 0 1 238.335 2.370 20 0 BEADMN CCC[C@H](C)N(C)C(=O)CCc1cc(C)[nH]n1 ZINC001441333959 984478160 /nfs/dbraw/zinc/47/81/60/984478160.db2.gz NAKRMBRSNSQWNP-NSHDSACASA-N 0 1 237.347 2.298 20 0 BEADMN COc1ccc(NC(=O)c2[nH]cnc2C)c(C)c1 ZINC001443187538 984511887 /nfs/dbraw/zinc/51/18/87/984511887.db2.gz MDGMKFSGHFGHGV-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN COc1cnccc1-c1ccc2cncn2c1 ZINC001243075628 984512108 /nfs/dbraw/zinc/51/21/08/984512108.db2.gz STINQLKGVNZNBF-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COc1cccc(-c2cccn3cncc23)n1 ZINC001243100123 984533736 /nfs/dbraw/zinc/53/37/36/984533736.db2.gz VXHWHCBRIFDPAV-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cc1cc(CCC(=O)N2[C@H](C)CCC[C@@H]2C)n[nH]1 ZINC001443588122 984536115 /nfs/dbraw/zinc/53/61/15/984536115.db2.gz RTSBINSCIOEVBU-TXEJJXNPSA-N 0 1 249.358 2.440 20 0 BEADMN CCCC[C@H](CC)NCc1nnc(C)o1 ZINC000718822442 984543526 /nfs/dbraw/zinc/54/35/26/984543526.db2.gz VYNXOZVFFHWSGQ-JTQLQIEISA-N 0 1 211.309 2.436 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2nnc(C)o2)C1 ZINC000718896865 984558446 /nfs/dbraw/zinc/55/84/46/984558446.db2.gz XMKFQTYCQRIGCZ-ZJUUUORDSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@@H](F)CN(C)C[C@H](C)NC(=O)C=C(C)C ZINC001275495685 984582594 /nfs/dbraw/zinc/58/25/94/984582594.db2.gz BQBHLUOGUCXPQR-NWDGAFQWSA-N 0 1 244.354 2.137 20 0 BEADMN Cc1cc(CCC(=O)N2CC(C)(C)C2(C)C)n[nH]1 ZINC001445079272 984585433 /nfs/dbraw/zinc/58/54/33/984585433.db2.gz GJJSYLFAXAYZBH-UHFFFAOYSA-N 0 1 249.358 2.298 20 0 BEADMN OCc1cccc(-c2nccc3[nH]cnc32)c1F ZINC001243138615 984596867 /nfs/dbraw/zinc/59/68/67/984596867.db2.gz YFXCRPDZRHVFCV-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)c1cccc2nc[nH]c21 ZINC001445706463 984606378 /nfs/dbraw/zinc/60/63/78/984606378.db2.gz DUIIBMUHDRLLNO-SNVBAGLBSA-N 0 1 241.294 2.401 20 0 BEADMN Cc1cc(C(=O)[O-])cc(-c2cc[nH+]c(N)c2)c1 ZINC001243182419 984643305 /nfs/dbraw/zinc/64/33/05/984643305.db2.gz MKPMDNVPSTUCOS-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+](CC1CC1)C1CCC1 ZINC001588945798 984654045 /nfs/dbraw/zinc/65/40/45/984654045.db2.gz NEGRLXGJLYJJQP-JXMROGBWSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1ccc(-c2cc[nH+]c(N)c2)cc1C(=O)[O-] ZINC001243195305 984671240 /nfs/dbraw/zinc/67/12/40/984671240.db2.gz PIGUAQGHHBHZMC-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC=C(c2ccco2)C1 ZINC001588949892 984677218 /nfs/dbraw/zinc/67/72/18/984677218.db2.gz XBTGZYIERNHEMC-DHZHZOJOSA-N 0 1 247.294 2.400 20 0 BEADMN CC/C=C(/F)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001447072364 984728480 /nfs/dbraw/zinc/72/84/80/984728480.db2.gz MKHJOXXQEYEYPZ-WKRXVSLGSA-N 0 1 242.338 2.191 20 0 BEADMN C/C(=C/C[N@H+]1CCc2cc(C)ccc2C1)C(=O)[O-] ZINC001588961270 984737139 /nfs/dbraw/zinc/73/71/39/984737139.db2.gz NRACUWDPHIPZLR-XGICHPGQSA-N 0 1 245.322 2.384 20 0 BEADMN COc1cc(C)cc(-c2cc3c(nn2)CNC3)c1 ZINC001243241022 984777452 /nfs/dbraw/zinc/77/74/52/984777452.db2.gz AIPFHNLHJHGTPT-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN COc1cc(C)cc(-c2ncc3c(n2)CNC3)c1 ZINC001243240922 984780022 /nfs/dbraw/zinc/78/00/22/984780022.db2.gz RUPPBAQTPJWDQU-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H](C)CCC2CC2)n[nH]1 ZINC001448154993 984807089 /nfs/dbraw/zinc/80/70/89/984807089.db2.gz ISWYPXCWCULODO-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN O=C(NC1CCC2(CC2)CC1)c1[nH]ncc1F ZINC001449030634 984827734 /nfs/dbraw/zinc/82/77/34/984827734.db2.gz SOTXIELOKHKQHZ-UHFFFAOYSA-N 0 1 237.278 2.001 20 0 BEADMN Cc1cc(-c2ccc(O)c(F)c2F)ncn1 ZINC001243337878 984829929 /nfs/dbraw/zinc/82/99/29/984829929.db2.gz FRACBWOMRNQLIB-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1cncc(-c2ccc(O)c(F)c2F)n1 ZINC001243339235 984830743 /nfs/dbraw/zinc/83/07/43/984830743.db2.gz PCNHTPFBYBDSNS-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1ncc(-c2nccc3[nH]cnc32)s1 ZINC001243377072 984855955 /nfs/dbraw/zinc/85/59/55/984855955.db2.gz ZCHUWUFDANRYCV-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1ncc(-c2nc3nc[nH]c3c(C)n2)s1 ZINC001243378054 984858182 /nfs/dbraw/zinc/85/81/82/984858182.db2.gz WVEPTZZAJOQZMT-UHFFFAOYSA-N 0 1 231.284 2.045 20 0 BEADMN Cc1ncc(-c2cccc3[nH]nnc32)s1 ZINC001243380186 984864372 /nfs/dbraw/zinc/86/43/72/984864372.db2.gz HLCBUOQKSXCQDE-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CSc1cncc(NC(=O)c2cn[nH]c2C)c1 ZINC001451781197 984901736 /nfs/dbraw/zinc/90/17/36/984901736.db2.gz VJZAVNIGRGORTL-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN O=c1cc(-c2ccc3nc[nH]c3c2)cc[nH]1 ZINC001243425272 984902111 /nfs/dbraw/zinc/90/21/11/984902111.db2.gz LYDYRELXLDHALZ-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Nc1cc(-c2[nH]ccc3ncnc2-3)ccc1F ZINC001243451273 984947442 /nfs/dbraw/zinc/94/74/42/984947442.db2.gz PBQCPGUKGOUSAA-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1cc(-c2nccc3[nH]cnc32)ccc1F ZINC001243451273 984947460 /nfs/dbraw/zinc/94/74/60/984947460.db2.gz PBQCPGUKGOUSAA-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN COc1ccc(N(C)C(=O)c2[nH]cnc2C)cc1 ZINC001452872663 984971138 /nfs/dbraw/zinc/97/11/38/984971138.db2.gz YNJOXYVDLJALLM-UHFFFAOYSA-N 0 1 245.282 2.003 20 0 BEADMN CCCC[C@@H](CC)N(C)CC(=O)OC ZINC001257425224 984987062 /nfs/dbraw/zinc/98/70/62/984987062.db2.gz MMZYFWYKUPWSKL-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cccnc1N ZINC001243476850 985036738 /nfs/dbraw/zinc/03/67/38/985036738.db2.gz VIWGJRJSLXOEBQ-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN O=C(Nc1cn[nH]c1)c1ccc(Cl)c(O)c1 ZINC001454766747 985049655 /nfs/dbraw/zinc/04/96/55/985049655.db2.gz CORTXYCPBBEBBB-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN C[C@H]1CN(CC2CC3(CCC3)C2)CCC1=O ZINC000691967023 985079366 /nfs/dbraw/zinc/07/93/66/985079366.db2.gz JGTYDMHQKJIWKT-NSHDSACASA-N 0 1 221.344 2.478 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CCO[C@@H](CO)C1 ZINC001257477175 985101870 /nfs/dbraw/zinc/10/18/70/985101870.db2.gz MPKCYVBOPXBQRU-BFHYXJOUSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC001456143517 985114692 /nfs/dbraw/zinc/11/46/92/985114692.db2.gz RXYRLEYPICOYRS-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)NOCc2ccccc2)[C@H](C)O1 ZINC000686431447 985117360 /nfs/dbraw/zinc/11/73/60/985117360.db2.gz WXKCOBWRYRMHJH-NTZNESFSSA-N 0 1 249.310 2.048 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC001456143529 985118321 /nfs/dbraw/zinc/11/83/21/985118321.db2.gz RXYRLEYPICOYRS-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN CSc1cc(F)cc(-c2cnc(CN)nc2)c1 ZINC001243562112 985119692 /nfs/dbraw/zinc/11/96/92/985119692.db2.gz SWJOMBUQDRNMGD-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN CC(C)c1ncc(CNC(=O)CC2(C)CC2)[nH]1 ZINC001456346421 985135562 /nfs/dbraw/zinc/13/55/62/985135562.db2.gz RXEWLVWHGYOCRT-UHFFFAOYSA-N 0 1 235.331 2.340 20 0 BEADMN CC(=O)CCCC(=O)Nc1ccc2cncn2c1 ZINC001456443988 985144433 /nfs/dbraw/zinc/14/44/33/985144433.db2.gz GWTIAUSFFGCMGE-UHFFFAOYSA-N 0 1 245.282 2.032 20 0 BEADMN CCCCC[C@@H](C)N(CC)CC(=O)OC ZINC001257517804 985191436 /nfs/dbraw/zinc/19/14/36/985191436.db2.gz FRHMCMOGQRHDPK-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN c1cnc(C2CC2)c(-c2cc3c(nn2)CNC3)c1 ZINC001243685085 985202956 /nfs/dbraw/zinc/20/29/56/985202956.db2.gz NBZUNHNTNUQJLC-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN Cc1cc(CO)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001243696937 985222212 /nfs/dbraw/zinc/22/22/12/985222212.db2.gz CWCRWMGZZIVBFX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CO)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001243696937 985222232 /nfs/dbraw/zinc/22/22/32/985222232.db2.gz CWCRWMGZZIVBFX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN O=c1cccc(-c2cc(N3CCCC3)ccn2)[nH]1 ZINC001243732938 985256595 /nfs/dbraw/zinc/25/65/95/985256595.db2.gz JEEAYEMOCPOVGZ-UHFFFAOYSA-N 0 1 241.294 2.449 20 0 BEADMN O=c1cccc(-c2cc3nc[nH]c3cc2F)[nH]1 ZINC001243734856 985265998 /nfs/dbraw/zinc/26/59/98/985265998.db2.gz OHDUODZSEBALBL-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CC(C)C1(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000687536495 985308359 /nfs/dbraw/zinc/30/83/59/985308359.db2.gz AFJPAJICXWTNMF-NEPJUHHUSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1nc(CNc2nc3cccc(F)c3o2)n[nH]1 ZINC001458677077 985340744 /nfs/dbraw/zinc/34/07/44/985340744.db2.gz GGJLRQMYIIMRSY-UHFFFAOYSA-N 0 1 247.233 2.006 20 0 BEADMN CCOc1ccc2c(c1)CN([C@H]1CCOC1)CC2 ZINC001459362757 985473998 /nfs/dbraw/zinc/47/39/98/985473998.db2.gz FNDBPMKXALZTIF-AWEZNQCLSA-N 0 1 247.338 2.232 20 0 BEADMN Cc1cc(F)cc(C)c1-c1cnc(CN)nc1 ZINC001243917108 985594190 /nfs/dbraw/zinc/59/41/90/985594190.db2.gz JAXWAKGXHATAJZ-UHFFFAOYSA-N 0 1 231.274 2.358 20 0 BEADMN O=C1NCc2cc(-c3cccc4nc[nH]c43)ccc21 ZINC001243933294 985610427 /nfs/dbraw/zinc/61/04/27/985610427.db2.gz VNCRJNSVUAGAPH-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN Fc1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001243933693 985613215 /nfs/dbraw/zinc/61/32/15/985613215.db2.gz YMPGMYXJWZTRCP-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1nccc(-c2cccc3nc[nH]c32)c1N ZINC001243933623 985617817 /nfs/dbraw/zinc/61/78/17/985617817.db2.gz YWMOVJNLZIJISN-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC1CCC1 ZINC000688391941 985626335 /nfs/dbraw/zinc/62/63/35/985626335.db2.gz NERCBMKCVPIWOR-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H](C)c2nccnc2C)CO1 ZINC000688440569 985640363 /nfs/dbraw/zinc/64/03/63/985640363.db2.gz UMERRWRMOFMSIV-SDDRHHMPSA-N 0 1 235.331 2.003 20 0 BEADMN c1cnc2c(c1)cncc2C1=CNCCC1 ZINC001243949693 985645886 /nfs/dbraw/zinc/64/58/86/985645886.db2.gz GWNKGMVJPXFCKV-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN CCCn1ncc(CN2CC[C@@H]2C)c1C ZINC001138636824 985648264 /nfs/dbraw/zinc/64/82/64/985648264.db2.gz JPAHTTSLDNSBMN-JTQLQIEISA-N 0 1 207.321 2.196 20 0 BEADMN COc1cc2nccn2cc1C1=CNCCC1 ZINC001243951474 985654742 /nfs/dbraw/zinc/65/47/42/985654742.db2.gz INMWPVLTWZMWNF-UHFFFAOYSA-N 0 1 229.283 2.067 20 0 BEADMN CCN(CC)c1ncc(C2=CNCCC2)cn1 ZINC001243952659 985660794 /nfs/dbraw/zinc/66/07/94/985660794.db2.gz QECKFNPJDHCFSD-UHFFFAOYSA-N 0 1 232.331 2.047 20 0 BEADMN Cc1nc2cc(-c3ncncc3F)ccc2[nH]1 ZINC001243963351 985680519 /nfs/dbraw/zinc/68/05/19/985680519.db2.gz WENVTPAMKWDJBP-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@@H](CN1CC(=O)N(C)C[C@@H]1C)CC(C)(C)C ZINC001459971757 985685009 /nfs/dbraw/zinc/68/50/09/985685009.db2.gz NPUDZDKPVIIMNN-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nc2cc(-c3ccnc(F)n3)ccc2[nH]1 ZINC001243971050 985694872 /nfs/dbraw/zinc/69/48/72/985694872.db2.gz UKKSQJXHAFILGC-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nnc(CNC[C@@H](C)CC(F)F)s1 ZINC000688746380 985720581 /nfs/dbraw/zinc/72/05/81/985720581.db2.gz BFHGUFSAPRMZMH-LURJTMIESA-N 0 1 235.303 2.227 20 0 BEADMN CCc1nnc(CNC[C@H](C)CC(F)F)s1 ZINC000688751047 985722270 /nfs/dbraw/zinc/72/22/70/985722270.db2.gz WIWVHJVXCNMUTQ-SSDOTTSWSA-N 0 1 249.330 2.481 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CCC1(F)F ZINC001594509673 985781057 /nfs/dbraw/zinc/78/10/57/985781057.db2.gz WZQCBEYLFFUWMB-SECBINFHSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1[nH]c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1C(=O)[O-] ZINC001599961069 985781504 /nfs/dbraw/zinc/78/15/04/985781504.db2.gz CGIQSFUFAMGXDB-TXEJJXNPSA-N 0 1 248.326 2.109 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CCCC(C)(C)C1 ZINC001258279370 985784059 /nfs/dbraw/zinc/78/40/59/985784059.db2.gz HKTRKYISWAJZJV-GFCCVEGCSA-N 0 1 211.373 2.440 20 0 BEADMN Cc1[nH]c(C[N@H+](C)C(C)(C)C)cc1C(=O)[O-] ZINC001599961470 985790290 /nfs/dbraw/zinc/79/02/90/985790290.db2.gz HFDMRSWTRZMRQA-UHFFFAOYSA-N 0 1 224.304 2.252 20 0 BEADMN O=c1occcc1-c1cc(F)c(O)c(F)c1 ZINC001244095386 985807234 /nfs/dbraw/zinc/80/72/34/985807234.db2.gz AKLQCAQQRCXXPH-UHFFFAOYSA-N 0 1 224.162 2.291 20 0 BEADMN COC1CCC(=Nc2ccnc(C)n2)CC1 ZINC001212871976 985814596 /nfs/dbraw/zinc/81/45/96/985814596.db2.gz IOTMNHZOMAFGEG-NSHDSACASA-N 0 1 219.288 2.280 20 0 BEADMN CO[C@H]1CC=C(Nc2cncc(C)n2)CC1 ZINC001212872371 985818828 /nfs/dbraw/zinc/81/88/28/985818828.db2.gz VTUSGMGUYJRPEE-NSHDSACASA-N 0 1 219.288 2.280 20 0 BEADMN C[C@@H](NC[C@H]1CCO[C@H](C)C1)c1csnn1 ZINC001460251987 985820685 /nfs/dbraw/zinc/82/06/85/985820685.db2.gz MDYBTWVSCFVPTP-BBBLOLIVSA-N 0 1 241.360 2.004 20 0 BEADMN Cc1[nH]c(C[N@H+]2CC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001599963320 985839341 /nfs/dbraw/zinc/83/93/41/985839341.db2.gz QOBWYEWFXKJWOC-LBPRGKRZSA-N 0 1 234.299 2.006 20 0 BEADMN Cc1[nH]c(C[N@H+]2CC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001599963319 985840344 /nfs/dbraw/zinc/84/03/44/985840344.db2.gz QOBWYEWFXKJWOC-GFCCVEGCSA-N 0 1 234.299 2.006 20 0 BEADMN COC1CCC(=Nc2cnn3c2OCCC3)CC1 ZINC001212878789 985856740 /nfs/dbraw/zinc/85/67/40/985856740.db2.gz WJFZLXMEUGDQNI-NSHDSACASA-N 0 1 249.314 2.160 20 0 BEADMN CC(C)c1ccc(N)c(-c2cnc(CN)nc2)c1 ZINC001244222861 985891920 /nfs/dbraw/zinc/89/19/20/985891920.db2.gz UOYRPWPEOQWBNH-UHFFFAOYSA-N 0 1 242.326 2.308 20 0 BEADMN c1cc(C2CC2)c(-c2ncc3c(n2)CNC3)cn1 ZINC001244276189 985910209 /nfs/dbraw/zinc/91/02/09/985910209.db2.gz DKIGSHUBOPJIMA-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN Cc1cc(CN2CCOCC[C@H]2C)sn1 ZINC001460899271 985928041 /nfs/dbraw/zinc/92/80/41/985928041.db2.gz XOZRPUZZWBDBJT-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C[C@H]1C ZINC000300246038 985934618 /nfs/dbraw/zinc/93/46/18/985934618.db2.gz GCKGHHMHFSSWIJ-WDEREUQCSA-N 0 1 248.326 2.258 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1C[C@@H](F)C[C@H]1C ZINC001258490502 985953275 /nfs/dbraw/zinc/95/32/75/985953275.db2.gz YAJLXUMEMMKQLB-MXWKQRLJSA-N 0 1 231.311 2.151 20 0 BEADMN Cc1cccc(OCCCNCc2cc[nH]n2)c1 ZINC001461012223 985995329 /nfs/dbraw/zinc/99/53/29/985995329.db2.gz FRMUDMXNAPSFAB-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN Cc1cc(N)ccc1-c1nc(F)nc2nc[nH]c21 ZINC001244371154 986012990 /nfs/dbraw/zinc/01/29/90/986012990.db2.gz QOIYYDQSHABMBS-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN CC(=O)OC1CN([C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001258700397 986024374 /nfs/dbraw/zinc/02/43/74/986024374.db2.gz MGQQVWVHMFRAAK-CMPLNLGQSA-N 0 1 239.359 2.449 20 0 BEADMN COc1c(F)cc(F)cc1NCc1cnc[nH]1 ZINC001461291406 986040487 /nfs/dbraw/zinc/04/04/87/986040487.db2.gz PAJNAMMECWBVDX-UHFFFAOYSA-N 0 1 239.225 2.309 20 0 BEADMN Nc1ccc(F)cc1-c1cccc2[nH]nnc21 ZINC001244396997 986047838 /nfs/dbraw/zinc/04/78/38/986047838.db2.gz IJBWANGLZOBUJV-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CC(C)(CF)NCc1cc(-c2ccccn2)n[nH]1 ZINC001461439881 986061682 /nfs/dbraw/zinc/06/16/82/986061682.db2.gz GXUHAXINMVJJTG-UHFFFAOYSA-N 0 1 248.305 2.309 20 0 BEADMN Cc1cc(C)c(/C=C\CN[C@@H]2CNOC2)c(C)c1 ZINC001579571731 986093237 /nfs/dbraw/zinc/09/32/37/986093237.db2.gz KPMUKVBIPZIKNJ-ZRUQZJFASA-N 0 1 246.354 2.118 20 0 BEADMN Nc1ccc(-c2ccc(Cl)cc2O)nn1 ZINC001244466793 986133827 /nfs/dbraw/zinc/13/38/27/986133827.db2.gz MYRLLBKTTQGBCC-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001594538252 986165222 /nfs/dbraw/zinc/16/52/22/986165222.db2.gz ZSTOROUIDAFTTP-KXUCPTDWSA-N 0 1 236.315 2.189 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2c[nH]c(C(=O)[O-])c2)C[C@H]1C ZINC001594538253 986165232 /nfs/dbraw/zinc/16/52/32/986165232.db2.gz ZSTOROUIDAFTTP-OPRDCNLKSA-N 0 1 236.315 2.189 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@H]1C ZINC001594538251 986165633 /nfs/dbraw/zinc/16/56/33/986165633.db2.gz ZSTOROUIDAFTTP-BBBLOLIVSA-N 0 1 236.315 2.189 20 0 BEADMN c1coc(CNCc2ccc3nonc3c2)c1 ZINC001461809587 986173303 /nfs/dbraw/zinc/17/33/03/986173303.db2.gz HFJRHJJVKLPMKP-UHFFFAOYSA-N 0 1 229.239 2.106 20 0 BEADMN CCOC(=O)/C=C\CN(CC)Cc1ccncc1 ZINC000380364546 986244037 /nfs/dbraw/zinc/24/40/37/986244037.db2.gz HAQYEAMALBGIRD-WAYWQWQTSA-N 0 1 248.326 2.023 20 0 BEADMN OCc1c(F)cccc1-c1ccc2[nH]nnc2c1 ZINC001244560879 986247198 /nfs/dbraw/zinc/24/71/98/986247198.db2.gz CPIXTTZWYZWMHQ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1c(F)cccc1-c1ccc2nn[nH]c2c1 ZINC001244560879 986247210 /nfs/dbraw/zinc/24/72/10/986247210.db2.gz CPIXTTZWYZWMHQ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC1(C)CC[C@H](CNCc2ncccc2F)O1 ZINC001462123644 986286876 /nfs/dbraw/zinc/28/68/76/986286876.db2.gz DBAVNKQAPKEWEQ-SNVBAGLBSA-N 0 1 238.306 2.268 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H]2CCC=CO2)no1 ZINC000381476021 986302540 /nfs/dbraw/zinc/30/25/40/986302540.db2.gz QTKXQHRSYOSKTL-QWRGUYRKSA-N 0 1 222.288 2.326 20 0 BEADMN CCc1ccc(CN2CC(C)(C(=O)OC)C2)cc1 ZINC001462371900 986368198 /nfs/dbraw/zinc/36/81/98/986368198.db2.gz HTPCZJKCXSZDOM-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN CC(C)[C@H](O)CN1CCCC(F)(F)[C@@H](F)C1 ZINC001253757303 986385479 /nfs/dbraw/zinc/38/54/79/986385479.db2.gz OLFVXAOTOMRWQZ-ZJUUUORDSA-N 0 1 239.281 2.073 20 0 BEADMN C[C@]1(C[NH2+]Cc2cnn[n-]2)C[C@@H]1c1ccccc1 ZINC001462451646 986391978 /nfs/dbraw/zinc/39/19/78/986391978.db2.gz DQDZFFVHOLYUPT-ZIAGYGMSSA-N 0 1 242.326 2.088 20 0 BEADMN COc1cc(C)[nH+]cc1-c1cnc(OC)c([O-])c1 ZINC001244847420 986397165 /nfs/dbraw/zinc/39/71/65/986397165.db2.gz UIQUXLBFUYOJEK-UHFFFAOYSA-N 0 1 246.266 2.175 20 0 BEADMN CCn1ccc(CN(C)C[C@@H]2CC2(C)C)n1 ZINC001462476988 986400943 /nfs/dbraw/zinc/40/09/43/986400943.db2.gz HSMQANGGEMALQH-NSHDSACASA-N 0 1 221.348 2.381 20 0 BEADMN Cc1c(O)cccc1-c1nc(F)nc2nc[nH]c21 ZINC001244957087 986519116 /nfs/dbraw/zinc/51/91/16/986519116.db2.gz OBWTVUISKSITQA-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CC[C@@H](C)SC2)[nH]1 ZINC000689430806 986601893 /nfs/dbraw/zinc/60/18/93/986601893.db2.gz FTXFAUIXTWRUEL-WEDXCCLWSA-N 0 1 240.376 2.048 20 0 BEADMN Cc1ccc([C@@H](O)CN2CCC[C@@H](F)C2)cc1 ZINC000689436597 986602295 /nfs/dbraw/zinc/60/22/95/986602295.db2.gz KAGNHNOESOTDIR-KGLIPLIRSA-N 0 1 237.318 2.462 20 0 BEADMN C[NH2+]Cc1cc(-c2cc(Cl)ccc2[O-])ncn1 ZINC001245048313 986607389 /nfs/dbraw/zinc/60/73/89/986607389.db2.gz JALHGNYUPDOGAW-UHFFFAOYSA-N 0 1 249.701 2.222 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC(F)CC1 ZINC000689455965 986617247 /nfs/dbraw/zinc/61/72/47/986617247.db2.gz QSZKKIOJVBENBW-NSHDSACASA-N 0 1 231.311 2.008 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)cnc1F ZINC001245076596 986638695 /nfs/dbraw/zinc/63/86/95/986638695.db2.gz VMGVNNOZRSZDLU-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1nc(C(=O)Nc2ccc3nc[nH]c3c2)co1 ZINC001464502567 986641108 /nfs/dbraw/zinc/64/11/08/986641108.db2.gz IERMPVBULANVPO-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC(Cl)=CC(=O)NCc1nc2ccccc2[nH]1 ZINC001464837921 986661459 /nfs/dbraw/zinc/66/14/59/986661459.db2.gz JZVWINHAOTXCTJ-VURMDHGXSA-N 0 1 249.701 2.322 20 0 BEADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1cscn1 ZINC000585380047 986669272 /nfs/dbraw/zinc/66/92/72/986669272.db2.gz SFVISKWDKQLNKY-FOSCPWQOSA-N 0 1 238.356 2.285 20 0 BEADMN CCC=C(F)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001465666578 986732986 /nfs/dbraw/zinc/73/29/86/986732986.db2.gz CCOYLWYHQSYMNI-FPYGCLRLSA-N 0 1 234.234 2.160 20 0 BEADMN C[C@H](Cc1cccs1)N(C)C(=O)c1cnc[nH]1 ZINC001465692017 986734110 /nfs/dbraw/zinc/73/41/10/986734110.db2.gz FBWABAKLPYOLEM-SECBINFHSA-N 0 1 249.339 2.174 20 0 BEADMN COCn1cc(-c2cccc3nc(C)[nH]c32)cn1 ZINC001245221078 986742866 /nfs/dbraw/zinc/74/28/66/986742866.db2.gz PYUWCVOBWQPIME-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC=C(F)C1 ZINC001466437061 986801698 /nfs/dbraw/zinc/80/16/98/986801698.db2.gz NTYSUPXVILBENR-UHFFFAOYSA-N 0 1 245.257 2.262 20 0 BEADMN CCc1nnc(-c2cc(=O)c3ccccc3[nH]2)o1 ZINC001255067096 986805978 /nfs/dbraw/zinc/80/59/78/986805978.db2.gz JHTZTNMQPZULIA-UHFFFAOYSA-N 0 1 241.250 2.141 20 0 BEADMN CCc1nnc(-c2c(C)n[nH]c2C2CC2)o1 ZINC001255114679 986821859 /nfs/dbraw/zinc/82/18/59/986821859.db2.gz SGDOBRKFNUDUCJ-UHFFFAOYSA-N 0 1 218.260 2.208 20 0 BEADMN COc1c(C)cccc1-c1cc2c(nn1)CNC2 ZINC001245362234 986823846 /nfs/dbraw/zinc/82/38/46/986823846.db2.gz PAGQYOFQSIVTLO-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CCN1CCN(Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137370516 986834378 /nfs/dbraw/zinc/83/43/78/986834378.db2.gz GZTITXZNAWMVCL-UHFFFAOYSA-N 0 1 249.402 2.450 20 0 BEADMN Cn1ncc2cc(-c3ccc4cncn4c3)cnc21 ZINC001245471648 986863766 /nfs/dbraw/zinc/86/37/66/986863766.db2.gz GQFCZWVMVFTOKB-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@@H]1CCSC1 ZINC001255290527 986891312 /nfs/dbraw/zinc/89/13/12/986891312.db2.gz GWIZEEMWCXRRQW-GHMZBOCLSA-N 0 1 222.357 2.370 20 0 BEADMN Nc1ncc(-c2ccc3nc[nH]c3c2)cc1F ZINC001245520526 986899068 /nfs/dbraw/zinc/89/90/68/986899068.db2.gz FQRGDCCZOKYEBP-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ncc(-c2cncc3cc[nH]c32)cc1F ZINC001245520435 986899451 /nfs/dbraw/zinc/89/94/51/986899451.db2.gz WYPZJJBEDFYRDY-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCCC[C@@H](C)N1CCc2c(ncn2C)C1 ZINC001255333889 986933597 /nfs/dbraw/zinc/93/35/97/986933597.db2.gz ZKQJOLXIXFLZHG-LLVKDONJSA-N 0 1 221.348 2.357 20 0 BEADMN CCOc1ccncc1CN1CCCCC1 ZINC001139627313 986937487 /nfs/dbraw/zinc/93/74/87/986937487.db2.gz MKCRLMMGDHIIDN-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN COC[C@H](C)NCc1cc(F)cc(F)c1OC ZINC001255553159 987009034 /nfs/dbraw/zinc/00/90/34/987009034.db2.gz LBBDHMHWCGIODO-QMMMGPOBSA-N 0 1 245.269 2.098 20 0 BEADMN Nc1cnccc1-c1cc(O)c(F)c(F)c1F ZINC001245636359 987012348 /nfs/dbraw/zinc/01/23/48/987012348.db2.gz RTLNRHHNSLTUIB-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN COc1ncc(F)c(-c2c(O)cccc2F)n1 ZINC001245651863 987016314 /nfs/dbraw/zinc/01/63/14/987016314.db2.gz JLVMFUQQPKHWRI-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cc1cnc(-c2c(O)cccc2F)cn1 ZINC001245651967 987017766 /nfs/dbraw/zinc/01/77/66/987017766.db2.gz XTXMLXNFEUZYLR-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1ncc(F)c(-c2c(O)cccc2F)n1 ZINC001245652209 987017838 /nfs/dbraw/zinc/01/78/38/987017838.db2.gz UQOVDTOUTYQODP-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Oc1cccc(F)c1-c1ncnn2cccc12 ZINC001245654333 987025835 /nfs/dbraw/zinc/02/58/35/987025835.db2.gz COXMUDSJMPXYFZ-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@H]1CCCCC1=O ZINC001255639152 987038719 /nfs/dbraw/zinc/03/87/19/987038719.db2.gz SDFVWYKJUAEAET-YUMQZZPRSA-N 0 1 223.238 2.429 20 0 BEADMN COc1cc(C)c(-c2ccc3cncn3c2)nn1 ZINC001245895000 987108501 /nfs/dbraw/zinc/10/85/01/987108501.db2.gz OJVXTMNYSWIPHG-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN Cn1cnc2cnc(-c3ccc4cncn4c3)cc21 ZINC001245895925 987108941 /nfs/dbraw/zinc/10/89/41/987108941.db2.gz KWAOWJCAMJKFMX-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1cc2c(-c3ccc4cncn4c3)ncnn2c1 ZINC001245896054 987110568 /nfs/dbraw/zinc/11/05/68/987110568.db2.gz JWALIARFENOABW-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Cc1ncc(F)c(-c2ccc3cncn3c2)n1 ZINC001245894421 987111271 /nfs/dbraw/zinc/11/12/71/987111271.db2.gz HWZDEMSORFLECD-UHFFFAOYSA-N 0 1 228.230 2.239 20 0 BEADMN CCOc1cnc(-c2ccc3cncn3c2)nc1 ZINC001245896356 987119309 /nfs/dbraw/zinc/11/93/09/987119309.db2.gz PQKCNMVLHJWTOW-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN c1ncn2cc(-c3cc4cncnc4cn3)ccc12 ZINC001245896966 987122636 /nfs/dbraw/zinc/12/26/36/987122636.db2.gz WJGVQDKQQRQLIE-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN O=C1NCc2cc(-c3ccc4cncn4c3)ccc21 ZINC001245898027 987127743 /nfs/dbraw/zinc/12/77/43/987127743.db2.gz LXNHFZBQQSJXFD-UHFFFAOYSA-N 0 1 249.273 2.245 20 0 BEADMN Nc1nccc(F)c1-c1ccc2cncn2c1 ZINC001245898702 987131299 /nfs/dbraw/zinc/13/12/99/987131299.db2.gz VLEJACNZTAWAAE-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1cc(F)nc(F)c1 ZINC001245911593 987141141 /nfs/dbraw/zinc/14/11/41/987141141.db2.gz VDGMSMHGYSBHHT-UHFFFAOYSA-N 0 1 237.209 2.129 20 0 BEADMN CCc1cc(=O)n(-c2ccc(OC)cc2OC)[nH]1 ZINC001245916815 987141959 /nfs/dbraw/zinc/14/19/59/987141959.db2.gz BULVVEZMAFAHQO-UHFFFAOYSA-N 0 1 248.282 2.158 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(OC)cc2)[nH]1 ZINC001245916156 987143301 /nfs/dbraw/zinc/14/33/01/987143301.db2.gz BLQRBNHPVJCYOA-UHFFFAOYSA-N 0 1 232.283 2.208 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)[nH]1 ZINC001472020397 987159696 /nfs/dbraw/zinc/15/96/96/987159696.db2.gz IFVVADNEPQUHEP-RISCZKNCSA-N 0 1 249.358 2.271 20 0 BEADMN CC[C@@H](O)CN1N=C(c2cccc(C)c2)CC1=O ZINC001245919316 987162315 /nfs/dbraw/zinc/16/23/15/987162315.db2.gz FPRWFHRCNSWJHC-GFCCVEGCSA-N 0 1 246.310 2.335 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)[nH]1 ZINC001472020394 987162506 /nfs/dbraw/zinc/16/25/06/987162506.db2.gz IFVVADNEPQUHEP-FZMZJTMJSA-N 0 1 249.358 2.271 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)[nH]1 ZINC001472020393 987163836 /nfs/dbraw/zinc/16/38/36/987163836.db2.gz IFVVADNEPQUHEP-BXUZGUMPSA-N 0 1 249.358 2.271 20 0 BEADMN Cc1ccc(Cl)cc1-n1[nH]c(CO)cc1=O ZINC001245924878 987171108 /nfs/dbraw/zinc/17/11/08/987171108.db2.gz GFSFFQLVYFQYNF-UHFFFAOYSA-N 0 1 238.674 2.032 20 0 BEADMN CCCCc1cc(=O)n(Cc2cccnc2)[nH]1 ZINC001245926842 987177706 /nfs/dbraw/zinc/17/77/06/987177706.db2.gz MUWRMFUVXRCXIV-UHFFFAOYSA-N 0 1 231.299 2.375 20 0 BEADMN CS/C=C\C(=O)Nc1ccc2cncn2c1 ZINC001472133400 987186353 /nfs/dbraw/zinc/18/63/53/987186353.db2.gz AJWAVORPMFSAGG-PLNGDYQASA-N 0 1 233.296 2.150 20 0 BEADMN C[C@@H](O)Cn1[nH]c(C2CCCCC2)cc1=O ZINC001245936511 987202547 /nfs/dbraw/zinc/20/25/47/987202547.db2.gz WKBOOSIAYZRBNB-SECBINFHSA-N 0 1 224.304 2.017 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1CC(F)(F)F ZINC001245938078 987206272 /nfs/dbraw/zinc/20/62/72/987206272.db2.gz YSYSKJHKBPOOON-UHFFFAOYSA-N 0 1 234.221 2.494 20 0 BEADMN CCC(CC)n1[nH]c(CCOC)cc1=O ZINC001245940422 987211544 /nfs/dbraw/zinc/21/15/44/987211544.db2.gz XMQSBNQKAHBBNO-UHFFFAOYSA-N 0 1 212.293 2.139 20 0 BEADMN Cc1nc(CN[C@H](C)Cc2ccccn2)c(C)o1 ZINC001256395593 987212747 /nfs/dbraw/zinc/21/27/47/987212747.db2.gz LCQGLZVPCATTMP-SNVBAGLBSA-N 0 1 245.326 2.407 20 0 BEADMN CC(C)n1[nH]c(C2CCOCC2)cc1=O ZINC001245943237 987218876 /nfs/dbraw/zinc/21/88/76/987218876.db2.gz RMRVKYYUKUPMLY-UHFFFAOYSA-N 0 1 210.277 2.064 20 0 BEADMN CC[C@H](C)n1[nH]c(C2CCOCC2)cc1=O ZINC001245943232 987220509 /nfs/dbraw/zinc/22/05/09/987220509.db2.gz RIAXIWVWVKOFIM-VIFPVBQESA-N 0 1 224.304 2.454 20 0 BEADMN Nc1ccccc1C1=NN(CC2CC2)C(=O)C1 ZINC001245946152 987226835 /nfs/dbraw/zinc/22/68/35/987226835.db2.gz ADAOUWGFRLSPCX-UHFFFAOYSA-N 0 1 229.283 2.248 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1-c1ccc(F)nc1 ZINC001245952619 987233337 /nfs/dbraw/zinc/23/33/37/987233337.db2.gz FQKYYROWWBZRLB-UHFFFAOYSA-N 0 1 233.246 2.065 20 0 BEADMN Cc1nnc(CNC[C@@H](C)c2ccccn2)s1 ZINC000692920753 987294426 /nfs/dbraw/zinc/29/44/26/987294426.db2.gz FXAYSYUYHCUEJS-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN c1cc2c(ncnc2SCc2c[nH]nn2)s1 ZINC001472932883 987306110 /nfs/dbraw/zinc/30/61/10/987306110.db2.gz UHAJSURCCMSTDM-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN Cc1c[nH]c(CNCCSC(F)(F)F)n1 ZINC000693483685 987311069 /nfs/dbraw/zinc/31/10/69/987311069.db2.gz PGQGLKAOWITPBQ-UHFFFAOYSA-N 0 1 239.266 2.061 20 0 BEADMN C[C@@H]1CN(CC2=NOCC2)[C@H]1c1ccccc1 ZINC001473208395 987372424 /nfs/dbraw/zinc/37/24/24/987372424.db2.gz OMOZFTHZSYJXQR-BXUZGUMPSA-N 0 1 230.311 2.456 20 0 BEADMN CC(C)n1cc([C@H](C)NCc2cnn(C)c2)cn1 ZINC001473357349 987404971 /nfs/dbraw/zinc/40/49/71/987404971.db2.gz HOHUXBLITATCCE-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN CCCCOCCSc1nnc(C)[nH]1 ZINC001115862303 987406644 /nfs/dbraw/zinc/40/66/44/987406644.db2.gz MGBHHMYEWWFKOL-UHFFFAOYSA-N 0 1 215.322 2.022 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC=CCC2)n1 ZINC001115921773 987413530 /nfs/dbraw/zinc/41/35/30/987413530.db2.gz DHJLJOVNQHQCAC-SECBINFHSA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC001115921773 987413533 /nfs/dbraw/zinc/41/35/33/987413533.db2.gz DHJLJOVNQHQCAC-SECBINFHSA-N 0 1 234.303 2.223 20 0 BEADMN CC[C@@H]1CCN(Cc2nnc3n2CCCC3)[C@@H]1C ZINC001473403590 987424114 /nfs/dbraw/zinc/42/41/14/987424114.db2.gz VOIDQNLOBXJHAJ-VXGBXAGGSA-N 0 1 248.374 2.235 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CC1=NOCC1 ZINC001473438729 987432586 /nfs/dbraw/zinc/43/25/86/987432586.db2.gz QUZPWKAHPVBQRZ-CBAPKCEASA-N 0 1 236.237 2.035 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C=CC(C)(C)C)n1 ZINC001116078974 987441453 /nfs/dbraw/zinc/44/14/53/987441453.db2.gz BPRJVXMGUDRLRV-VOTSOKGWSA-N 0 1 236.319 2.469 20 0 BEADMN CC(C)c1nc(NC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC001116078974 987441464 /nfs/dbraw/zinc/44/14/64/987441464.db2.gz BPRJVXMGUDRLRV-VOTSOKGWSA-N 0 1 236.319 2.469 20 0 BEADMN CCN(Cc1ccccc1F)C(=O)c1cnc[nH]1 ZINC001116102751 987444372 /nfs/dbraw/zinc/44/43/72/987444372.db2.gz GVDJEZGJDOVGRW-UHFFFAOYSA-N 0 1 247.273 2.211 20 0 BEADMN CCCNC(=O)[C@H](C)N1CC(C)(C)C1(C)C ZINC001116211637 987477738 /nfs/dbraw/zinc/47/77/38/987477738.db2.gz OEGMPIOSMOZXGF-JTQLQIEISA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2ccccn2)n[nH]1 ZINC001116439496 987570744 /nfs/dbraw/zinc/57/07/44/987570744.db2.gz CRHIFUQZQUILII-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN COCc1noc([C@@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC001473855428 987582348 /nfs/dbraw/zinc/58/23/48/987582348.db2.gz UICDJWPYXPSLEJ-BDAKNGLRSA-N 0 1 239.319 2.055 20 0 BEADMN CCc1[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001597385268 987594686 /nfs/dbraw/zinc/59/46/86/987594686.db2.gz RNFDQWKIJRYTDK-BDAKNGLRSA-N 0 1 236.315 2.116 20 0 BEADMN CCc1[nH]c(C[N@H+]2CCC2(C)C)cc1C(=O)[O-] ZINC001597385482 987595501 /nfs/dbraw/zinc/59/55/01/987595501.db2.gz UCFKKXNQOAVNRY-UHFFFAOYSA-N 0 1 236.315 2.260 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2CCNCC2(F)F)C[C@@H]1C ZINC001246210566 987606603 /nfs/dbraw/zinc/60/66/03/987606603.db2.gz JHZFOGNGLAYZRM-NOOOWODRSA-N 0 1 246.345 2.398 20 0 BEADMN CC[C@@H](CC(C)C)N[C@H]1CCNCC1(F)F ZINC001246211934 987606952 /nfs/dbraw/zinc/60/69/52/987606952.db2.gz OITXLRJMPNALQW-QWRGUYRKSA-N 0 1 234.334 2.398 20 0 BEADMN CCn1ccc(CN[C@H]2C=CCCC2)n1 ZINC001474053071 987636663 /nfs/dbraw/zinc/63/66/63/987636663.db2.gz GLQMQQGNDXXNFZ-NSHDSACASA-N 0 1 205.305 2.101 20 0 BEADMN CCn1ccc(CN[C@@H]2C=CCCC2)n1 ZINC001474053070 987637201 /nfs/dbraw/zinc/63/72/01/987637201.db2.gz GLQMQQGNDXXNFZ-LLVKDONJSA-N 0 1 205.305 2.101 20 0 BEADMN CCCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116612779 987643845 /nfs/dbraw/zinc/64/38/45/987643845.db2.gz UFPWZUVRSYKZPT-NSHDSACASA-N 0 1 235.331 2.221 20 0 BEADMN CC(C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116612770 987644691 /nfs/dbraw/zinc/64/46/91/987644691.db2.gz UAVYCSZSKFSSKC-SNVBAGLBSA-N 0 1 221.304 2.002 20 0 BEADMN CCOC[C@H](C)NCc1c(Cl)ncn1CC ZINC001474119529 987646257 /nfs/dbraw/zinc/64/62/57/987646257.db2.gz HPTMFKGHKUIPAU-VIFPVBQESA-N 0 1 245.754 2.071 20 0 BEADMN Cc1ccc(CNc2cccc3[nH]nnc32)nc1 ZINC001474151990 987650170 /nfs/dbraw/zinc/65/01/70/987650170.db2.gz YZAYVMYIBCVANN-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CC[C@@H]1CC[C@@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246252766 987653644 /nfs/dbraw/zinc/65/36/44/987653644.db2.gz INBMFSNCBMBDIU-RKDXNWHRSA-N 0 1 236.281 2.059 20 0 BEADMN Cc1cn(C)nc1CNC[C@@H]1C(C)(C)C1(F)F ZINC001474220003 987662037 /nfs/dbraw/zinc/66/20/37/987662037.db2.gz UNLRCKRAXIFKQS-SNVBAGLBSA-N 0 1 243.301 2.109 20 0 BEADMN Cc1cn(C)nc1CNC[C@H]1C(C)(C)C1(F)F ZINC001474220002 987662908 /nfs/dbraw/zinc/66/29/08/987662908.db2.gz UNLRCKRAXIFKQS-JTQLQIEISA-N 0 1 243.301 2.109 20 0 BEADMN ClC=CCNCc1n[nH]c2ccccc12 ZINC001474290355 987676135 /nfs/dbraw/zinc/67/61/35/987676135.db2.gz JDWCJEAPYJSKHI-ZZXKWVIFSA-N 0 1 221.691 2.405 20 0 BEADMN ClC=CCNCc1[nH]nc2ccccc21 ZINC001474290355 987676140 /nfs/dbraw/zinc/67/61/40/987676140.db2.gz JDWCJEAPYJSKHI-ZZXKWVIFSA-N 0 1 221.691 2.405 20 0 BEADMN CCn1ccc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC001474380755 987704002 /nfs/dbraw/zinc/70/40/02/987704002.db2.gz BACUTKFNOAGKSY-GFCCVEGCSA-N 0 1 245.326 2.486 20 0 BEADMN CSc1ccc(CN2CC[C@@H](C)[C@H](O)C2)o1 ZINC001474500584 987741614 /nfs/dbraw/zinc/74/16/14/987741614.db2.gz FRZGSGZNYIBKAW-MWLCHTKSSA-N 0 1 241.356 2.204 20 0 BEADMN CCc1nc(CNC[C@@]2(C)CCCCO2)co1 ZINC001474528727 987747489 /nfs/dbraw/zinc/74/74/89/987747489.db2.gz VFXFLGMIGNWJPA-CYBMUJFWSA-N 0 1 238.331 2.286 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1ncccc1F ZINC001474594310 987773318 /nfs/dbraw/zinc/77/33/18/987773318.db2.gz GGWATXYOPPUJNG-GHMZBOCLSA-N 0 1 240.322 2.107 20 0 BEADMN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1nc(C(F)(F)F)n[n-]1 ZINC001474724357 987809664 /nfs/dbraw/zinc/80/96/64/987809664.db2.gz PUPGCWBQXZUFFT-LYFYHCNISA-N 0 1 248.252 2.130 20 0 BEADMN c1snnc1CNC[C@@H]1C[C@@H]1C1CCCC1 ZINC001474754909 987818148 /nfs/dbraw/zinc/81/81/48/987818148.db2.gz FAEGALPGDRVSFP-CMPLNLGQSA-N 0 1 237.372 2.454 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCCC[C@H]3C2)[nH]1 ZINC001117720545 987876624 /nfs/dbraw/zinc/87/66/24/987876624.db2.gz SVLFLQMMAZGNCO-NEPJUHHUSA-N 0 1 234.347 2.125 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC001117720546 987877277 /nfs/dbraw/zinc/87/72/77/987877277.db2.gz SVLFLQMMAZGNCO-NWDGAFQWSA-N 0 1 234.347 2.125 20 0 BEADMN CC[C@]1(O)CCN(Cc2ncoc2C(C)C)C1 ZINC001321483716 987918838 /nfs/dbraw/zinc/91/88/38/987918838.db2.gz HRAQLJYIGLFLMY-ZDUSSCGKSA-N 0 1 238.331 2.145 20 0 BEADMN CCn1ncc(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001117814130 987938391 /nfs/dbraw/zinc/93/83/91/987938391.db2.gz VIXLSSLLFOPQNA-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1ncc(CN2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001117814131 987941231 /nfs/dbraw/zinc/94/12/31/987941231.db2.gz VIXLSSLLFOPQNA-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN O=C(C1=CCCC1)N1CCN(CC2CCC2)CC1 ZINC001480348829 987968823 /nfs/dbraw/zinc/96/88/23/987968823.db2.gz JYVPJRLVPQCOOT-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CCC[C@@H](C)[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246570861 988052805 /nfs/dbraw/zinc/05/28/05/988052805.db2.gz QEMXNLRREUMISR-RKDXNWHRSA-N 0 1 224.270 2.141 20 0 BEADMN CC[C@@H](C)C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001494342175 988134768 /nfs/dbraw/zinc/13/47/68/988134768.db2.gz WTVGVSAIQSTODX-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(=CC(=O)N1C[C@@H]2C[C@H]1CN2CC)CC ZINC001494650869 988173522 /nfs/dbraw/zinc/17/35/22/988173522.db2.gz QCLVSXOTGIVGRP-STQMWFEESA-N 0 1 236.359 2.038 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)[nH]1 ZINC001118305890 988207203 /nfs/dbraw/zinc/20/72/03/988207203.db2.gz FRVHGFLRGYGKFH-NXEZZACHSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC001118305890 988207219 /nfs/dbraw/zinc/20/72/19/988207219.db2.gz FRVHGFLRGYGKFH-NXEZZACHSA-N 0 1 248.330 2.132 20 0 BEADMN CC(C)(C)ONC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001322470662 988282061 /nfs/dbraw/zinc/28/20/61/988282061.db2.gz HRYSADYLCHICBK-NSHDSACASA-N 0 1 237.274 2.312 20 0 BEADMN COc1ccccc1CSCc1nnc[nH]1 ZINC001118414434 988325871 /nfs/dbraw/zinc/32/58/71/988325871.db2.gz XBQKNAAGPXPMGG-UHFFFAOYSA-N 0 1 235.312 2.247 20 0 BEADMN CCc1nnc(-c2ccc3cncn3c2C)o1 ZINC001322687033 988364977 /nfs/dbraw/zinc/36/49/77/988364977.db2.gz ANRGHSZZLSOIKJ-UHFFFAOYSA-N 0 1 228.255 2.255 20 0 BEADMN CC(C)C[C@@H]1CCCN(Cc2nnc[nH]2)C1 ZINC001118496578 988393302 /nfs/dbraw/zinc/39/33/02/988393302.db2.gz ZDXGRWDOWDMOLC-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)c1ocnc1CN[C@@H](CO)C1CCC1 ZINC001118503107 988397847 /nfs/dbraw/zinc/39/78/47/988397847.db2.gz RMGHAZCLLADPMC-LBPRGKRZSA-N 0 1 238.331 2.049 20 0 BEADMN CCCc1ccc(NCc2nnc[nH]2)cc1 ZINC001118517349 988412732 /nfs/dbraw/zinc/41/27/32/988412732.db2.gz ZENYOZXGNSEJJA-UHFFFAOYSA-N 0 1 216.288 2.369 20 0 BEADMN CCCc1ccccc1NCc1nnc[nH]1 ZINC001118578798 988461925 /nfs/dbraw/zinc/46/19/25/988461925.db2.gz LHXCTIVDWYVKRC-UHFFFAOYSA-N 0 1 216.288 2.369 20 0 BEADMN CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001323264213 988485597 /nfs/dbraw/zinc/48/55/97/988485597.db2.gz WCFKOKHIOBJWEM-DGCLKSJQSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC001323320369 988496972 /nfs/dbraw/zinc/49/69/72/988496972.db2.gz AGOVROOIFUCHRM-VHSXEESVSA-N 0 1 207.321 2.196 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001499050605 988534226 /nfs/dbraw/zinc/53/42/26/988534226.db2.gz PIOFHXAVDZXADD-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](CC(C)C)N1CC[C@@H](N)C(F)(F)C1 ZINC001246839540 988542314 /nfs/dbraw/zinc/54/23/14/988542314.db2.gz XXDPANXSGUASSF-WDEREUQCSA-N 0 1 234.334 2.479 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001323922626 988649722 /nfs/dbraw/zinc/64/97/22/988649722.db2.gz CDHCFSXXNDARGM-SDQBBNPISA-N 0 1 238.375 2.285 20 0 BEADMN CC=C(CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001323930747 988653716 /nfs/dbraw/zinc/65/37/16/988653716.db2.gz URIBQHHPWJSCJN-YVMONPNESA-N 0 1 222.292 2.223 20 0 BEADMN C/C=C(/CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001323930747 988653721 /nfs/dbraw/zinc/65/37/21/988653721.db2.gz URIBQHHPWJSCJN-YVMONPNESA-N 0 1 222.292 2.223 20 0 BEADMN Cn1cc(CN(C2CC2)C2CC2)c(C(F)F)n1 ZINC001118902595 988685458 /nfs/dbraw/zinc/68/54/58/988685458.db2.gz MPKLEWIZFHPGRB-UHFFFAOYSA-N 0 1 241.285 2.485 20 0 BEADMN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)[C@H](C)O ZINC001119067498 988830171 /nfs/dbraw/zinc/83/01/71/988830171.db2.gz JPJFMPFHPXSJPH-PTRXPTGYSA-N 0 1 229.270 2.195 20 0 BEADMN OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC001247014915 988838743 /nfs/dbraw/zinc/83/87/43/988838743.db2.gz SCDASFYGRBITHK-UHFFFAOYSA-N 0 1 234.152 2.213 20 0 BEADMN OCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC001247014373 988842114 /nfs/dbraw/zinc/84/21/14/988842114.db2.gz MOGNFQTYTCKLSF-UHFFFAOYSA-N 0 1 241.294 2.426 20 0 BEADMN CC(C)(C)n1c2ccc(F)cc2nc1CN ZINC001247036138 988846932 /nfs/dbraw/zinc/84/69/32/988846932.db2.gz HLTYJBUEKZRUOU-UHFFFAOYSA-N 0 1 221.279 2.389 20 0 BEADMN NCc1nc2c(ccc3ncccc23)n1C1CC1 ZINC001247040574 988849036 /nfs/dbraw/zinc/84/90/36/988849036.db2.gz WCOFVSPRPQAVAG-UHFFFAOYSA-N 0 1 238.294 2.378 20 0 BEADMN Cc1ccc(-c2noc(C3CN(C)C3)n2)cc1F ZINC001247374884 988860125 /nfs/dbraw/zinc/86/01/25/988860125.db2.gz XRSXNFDMMODYOP-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN CNCc1nc(-c2ccc(Cl)cc2F)no1 ZINC001247432293 988881291 /nfs/dbraw/zinc/88/12/91/988881291.db2.gz UWGLKCQREUFDAE-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CCc1cc(-c2noc(CNC)n2)ccc1F ZINC001247431950 988886641 /nfs/dbraw/zinc/88/66/41/988886641.db2.gz OFOWTYSJMNZFQM-UHFFFAOYSA-N 0 1 235.262 2.158 20 0 BEADMN CCN(Cc1snnc1C)C(C)(C)C ZINC001119293031 988891332 /nfs/dbraw/zinc/89/13/32/988891332.db2.gz LCOARCNBBZTERL-UHFFFAOYSA-N 0 1 213.350 2.467 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001247490365 988895458 /nfs/dbraw/zinc/89/54/58/988895458.db2.gz RSXDIUYXOMBGBV-VIFPVBQESA-N 0 1 247.298 2.334 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2C(C)=O)no1 ZINC001247489634 988896325 /nfs/dbraw/zinc/89/63/25/988896325.db2.gz FVSCXWHOXRKLEU-MRVPVSSYSA-N 0 1 245.282 2.220 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001247491046 988897210 /nfs/dbraw/zinc/89/72/10/988897210.db2.gz YWJZHMIXYSRFPQ-MRVPVSSYSA-N 0 1 245.282 2.220 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC1CCC(O)CC1 ZINC001324631241 988897741 /nfs/dbraw/zinc/89/77/41/988897741.db2.gz OXLLEODPXXDNGZ-IYXRBSQSSA-N 0 1 248.370 2.416 20 0 BEADMN c1snnc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC001119303592 988909519 /nfs/dbraw/zinc/90/95/19/988909519.db2.gz DJFPXIMJRKJZEQ-MNOVXSKESA-N 0 1 223.345 2.206 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CCC[C@@H](F)C1 ZINC001119304238 988914070 /nfs/dbraw/zinc/91/40/70/988914070.db2.gz QGZGYXJSTLTLLQ-GHMZBOCLSA-N 0 1 240.326 2.229 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CCC[C@H](F)C1 ZINC001119304240 988919261 /nfs/dbraw/zinc/91/92/61/988919261.db2.gz QGZGYXJSTLTLLQ-QWRGUYRKSA-N 0 1 240.326 2.229 20 0 BEADMN CCCC(C)=CC(=O)NCc1n[nH]c(C2CC2)n1 ZINC001324763860 988973505 /nfs/dbraw/zinc/97/35/05/988973505.db2.gz SQJIHGHFZPUJPU-CLFYSBASSA-N 0 1 248.330 2.045 20 0 BEADMN Fc1ccnc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC001247802920 989026003 /nfs/dbraw/zinc/02/60/03/989026003.db2.gz MKFYNXCWVKHANE-SECBINFHSA-N 0 1 248.261 2.085 20 0 BEADMN C[C@@H](c1nc(-c2ccncc2)no1)N1CCCC1 ZINC001248122486 989076390 /nfs/dbraw/zinc/07/63/90/989076390.db2.gz LWALCTUPUZENQG-JTQLQIEISA-N 0 1 244.298 2.288 20 0 BEADMN CN[C@@H](c1nc(-c2ccc(C)cn2)no1)C(C)C ZINC001248205532 989080244 /nfs/dbraw/zinc/08/02/44/989080244.db2.gz HTVRWPKSWAJEBN-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@@H](c1nc(-c2ccnc(C)c2)no1)C(C)C ZINC001248205544 989082766 /nfs/dbraw/zinc/08/27/66/989082766.db2.gz ICRVUZSEKCQXLD-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC001248205926 989082967 /nfs/dbraw/zinc/08/29/67/989082967.db2.gz PBPAMULWBXDFHL-SNVBAGLBSA-N 0 1 232.287 2.048 20 0 BEADMN Cc1cc(-c2noc([C@@H]3C=CCN3)n2)ccc1F ZINC001248229144 989085674 /nfs/dbraw/zinc/08/56/74/989085674.db2.gz OTMDAZFEWZISAX-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN c1cnc(-c2noc([C@H]3CCN3)n2)c(C2CC2)c1 ZINC001248284436 989086416 /nfs/dbraw/zinc/08/64/16/989086416.db2.gz NFWMFWLQBZCVDR-SNVBAGLBSA-N 0 1 242.282 2.043 20 0 BEADMN Cc1cccc(-c2noc([C@@H]3C=CCN3)n2)c1F ZINC001248229703 989086932 /nfs/dbraw/zinc/08/69/32/989086932.db2.gz SLWDRLYHMMDIGI-JTQLQIEISA-N 0 1 245.257 2.385 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3C=CCN3)n2)cc1F ZINC001248230307 989087342 /nfs/dbraw/zinc/08/73/42/989087342.db2.gz WRIVIIJZOMAQBY-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN CCCCC[C@@H]([NH2+]Cc1cc(C)no1)C(=O)[O-] ZINC001119536093 989137245 /nfs/dbraw/zinc/13/72/45/989137245.db2.gz GOSHTAIZPKDDKP-LLVKDONJSA-N 0 1 240.303 2.106 20 0 BEADMN CCCCC[C@H]([NH2+]Cc1cc(C)no1)C(=O)[O-] ZINC001119536165 989139161 /nfs/dbraw/zinc/13/91/61/989139161.db2.gz GOSHTAIZPKDDKP-NSHDSACASA-N 0 1 240.303 2.106 20 0 BEADMN C[C@H](NC/C=C/C1CC1)c1cc2n(n1)CCC2 ZINC001325288872 989146181 /nfs/dbraw/zinc/14/61/81/989146181.db2.gz KWRUEXUXRHWKLI-FWEMWIAWSA-N 0 1 231.343 2.446 20 0 BEADMN c1cc2n(c1CN1CC3(CCC3)C1)CCC2 ZINC001248821092 989177619 /nfs/dbraw/zinc/17/76/19/989177619.db2.gz NRHQEHVYFFMVJN-UHFFFAOYSA-N 0 1 216.328 2.420 20 0 BEADMN c1cc2n(c1CN1CC3(C1)CCOCC3)CCC2 ZINC001248822910 989183303 /nfs/dbraw/zinc/18/33/03/989183303.db2.gz CHAOQBNRDDCHNS-UHFFFAOYSA-N 0 1 246.354 2.047 20 0 BEADMN CN(Cc1ccc2n1CCC2)C[C@H]1CCCCO1 ZINC001248823566 989184189 /nfs/dbraw/zinc/18/41/89/989184189.db2.gz BPFRIMORIBAWDR-OAHLLOKOSA-N 0 1 248.370 2.435 20 0 BEADMN C[C@@H]1C[C@@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001325467934 989191502 /nfs/dbraw/zinc/19/15/02/989191502.db2.gz FDEJMOGSSFPBFU-DVVUODLYSA-N 0 1 233.315 2.002 20 0 BEADMN Cc1ccc2nc(CN3CCCCO3)[nH]c2c1 ZINC001248839490 989193442 /nfs/dbraw/zinc/19/34/42/989193442.db2.gz LFOZUMRKMBLQCN-UHFFFAOYSA-N 0 1 231.299 2.399 20 0 BEADMN CCC[N@@H+](Cc1nonc1C)[C@@H](C)CC ZINC001248856695 989198678 /nfs/dbraw/zinc/19/86/78/989198678.db2.gz NRNCHRFWLLIEPA-VIFPVBQESA-N 0 1 211.309 2.389 20 0 BEADMN CCCN(Cc1nonc1C)[C@@H](C)CC ZINC001248856695 989198683 /nfs/dbraw/zinc/19/86/83/989198683.db2.gz NRNCHRFWLLIEPA-VIFPVBQESA-N 0 1 211.309 2.389 20 0 BEADMN Cc1cc(C)nc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC001248932188 989219486 /nfs/dbraw/zinc/21/94/86/989219486.db2.gz FOALMAQDICJOIN-STQMWFEESA-N 0 1 231.343 2.325 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nc(-c2ccccn2)no1 ZINC001248932640 989221573 /nfs/dbraw/zinc/22/15/73/989221573.db2.gz UHZSQZZSVMUQQE-ONGXEEELSA-N 0 1 246.314 2.438 20 0 BEADMN CC1CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC001119605909 989227132 /nfs/dbraw/zinc/22/71/32/989227132.db2.gz DGAPWOJNIFXCTR-NHNAUAITSA-N 0 1 217.316 2.316 20 0 BEADMN CC1(C)CCC[C@@H](CSCc2nnc[nH]2)O1 ZINC001119606251 989228589 /nfs/dbraw/zinc/22/85/89/989228589.db2.gz BPDHRVQHGQVNFI-VIFPVBQESA-N 0 1 241.360 2.386 20 0 BEADMN Cc1nnc(SC[C@@H]2CC[C@H](C3CC3)O2)[nH]1 ZINC001119608983 989229477 /nfs/dbraw/zinc/22/94/77/989229477.db2.gz JDKCPXRTLGJZGH-VHSXEESVSA-N 0 1 239.344 2.163 20 0 BEADMN Cc1cc(CN2CCCC[C@@H]2c2cc[nH]n2)n[nH]1 ZINC001325697207 989232457 /nfs/dbraw/zinc/23/24/57/989232457.db2.gz OAIMANOOSITLTM-CYBMUJFWSA-N 0 1 245.330 2.168 20 0 BEADMN CCCCNCc1nc(-c2cccc(C)n2)no1 ZINC001249025539 989237775 /nfs/dbraw/zinc/23/77/75/989237775.db2.gz IGEVMDMCLYHWEQ-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CN[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC001249000127 989237873 /nfs/dbraw/zinc/23/78/73/989237873.db2.gz PBPAMULWBXDFHL-JTQLQIEISA-N 0 1 232.287 2.048 20 0 BEADMN CN[C@H](c1nc(-c2ncccc2C)no1)C(C)C ZINC001249000485 989240916 /nfs/dbraw/zinc/24/09/16/989240916.db2.gz WWMMSFCIEGQGNK-JTQLQIEISA-N 0 1 246.314 2.357 20 0 BEADMN CC(C)[C@H](c1nc(-c2ccccn2)no1)N(C)C ZINC001249199545 989262204 /nfs/dbraw/zinc/26/22/04/989262204.db2.gz UAVYJGPTUFMDEE-LLVKDONJSA-N 0 1 246.314 2.390 20 0 BEADMN Cc1ccnc(-c2noc([C@](C)(N)C(C)C)n2)c1 ZINC001249281017 989267410 /nfs/dbraw/zinc/26/74/10/989267410.db2.gz PRQAYGBXPRMFBQ-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN CC(C)(C)n1cc(CN2CCC[C@@H]3C[C@@H]32)nn1 ZINC001249483824 989293831 /nfs/dbraw/zinc/29/38/31/989293831.db2.gz OCWHHQKAQGNRSZ-PWSUYJOCSA-N 0 1 234.347 2.017 20 0 BEADMN CCN(CC)Cc1cnc(Br)cn1 ZINC001249489082 989296190 /nfs/dbraw/zinc/29/61/90/989296190.db2.gz ATONNFYMQKFSOD-UHFFFAOYSA-N 0 1 244.136 2.081 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OCCC(C)(F)F ZINC001518476028 989312978 /nfs/dbraw/zinc/31/29/78/989312978.db2.gz MYSABDGKRGZIBB-SNVBAGLBSA-N 0 1 249.301 2.448 20 0 BEADMN CC(C)OC(=O)CN(C1CCC1)C1CCC1 ZINC001326126215 989384420 /nfs/dbraw/zinc/38/44/20/989384420.db2.gz MZWRJNPYIUNBHH-UHFFFAOYSA-N 0 1 225.332 2.345 20 0 BEADMN C[C@H](c1ncccn1)N1CCC2(CC2)CC1 ZINC001119771461 989389684 /nfs/dbraw/zinc/38/96/84/989389684.db2.gz NICMUVMJRTXKKR-LLVKDONJSA-N 0 1 217.316 2.414 20 0 BEADMN CCn1cc(CN(C)C2(C)CCCC2)nn1 ZINC001119774438 989395948 /nfs/dbraw/zinc/39/59/48/989395948.db2.gz NZXVNFWSCZTIHC-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN Cc1coc(-c2nc([C@@H]3CCCN3)no2)c1C ZINC001326173889 989408540 /nfs/dbraw/zinc/40/85/40/989408540.db2.gz VDTWAGUAIVZGPM-VIFPVBQESA-N 0 1 233.271 2.371 20 0 BEADMN CC[C@H](F)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC001519593095 989436280 /nfs/dbraw/zinc/43/62/80/989436280.db2.gz SJGPEHZITYAWEE-VIFPVBQESA-N 0 1 226.251 2.078 20 0 BEADMN Cc1cc(CNc2cc(C)n(C(C)C)n2)n[nH]1 ZINC001326244649 989446552 /nfs/dbraw/zinc/44/65/52/989446552.db2.gz GYYXJMGYKBAZTJ-UHFFFAOYSA-N 0 1 233.319 2.416 20 0 BEADMN CC(C)c1nc(NC(=O)CCC2(C)CC2)n[nH]1 ZINC001119908190 989467464 /nfs/dbraw/zinc/46/74/64/989467464.db2.gz YPMFRKVIMWVVSR-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CCC2(C)CC2)n1 ZINC001119908190 989467469 /nfs/dbraw/zinc/46/74/69/989467469.db2.gz YPMFRKVIMWVVSR-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C2CC2)cn1 ZINC001119988521 989543265 /nfs/dbraw/zinc/54/32/65/989543265.db2.gz ULEKAVPSSNGRSK-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN Cc1nnc(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC001120250759 989617008 /nfs/dbraw/zinc/61/70/08/989617008.db2.gz DOQSCFDLZLDBQS-MBTKJCJQSA-N 0 1 241.360 2.409 20 0 BEADMN Cc1nnc(SC[C@@H]2CCO[C@@H](C)C2)[nH]1 ZINC001326594081 989618735 /nfs/dbraw/zinc/61/87/35/989618735.db2.gz VUDHRAJTGNOAMG-IONNQARKSA-N 0 1 227.333 2.020 20 0 BEADMN Cc1ccc(NC(=O)c2cccc(F)c2O)nc1 ZINC001521189373 989652375 /nfs/dbraw/zinc/65/23/75/989652375.db2.gz NHADYPIFCIBFIF-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001603768188 989709082 /nfs/dbraw/zinc/70/90/82/989709082.db2.gz IPRJHHROCZCFJS-MNOVXSKESA-N 0 1 245.388 2.171 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@]2(C)CC=CCC2)c1C ZINC001521894766 989813732 /nfs/dbraw/zinc/81/37/32/989813732.db2.gz XRBNVYXZOBXRDR-AWEZNQCLSA-N 0 1 247.342 2.389 20 0 BEADMN CC[C@H](F)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC001120668596 989822553 /nfs/dbraw/zinc/82/25/53/989822553.db2.gz KOWIYZLEHFEKGY-NSHDSACASA-N 0 1 244.354 2.067 20 0 BEADMN CC[C@H](F)C(=O)Nc1ccc(F)c(F)c1O ZINC001120743506 989861352 /nfs/dbraw/zinc/86/13/52/989861352.db2.gz UDEGMJILEGCQEU-YFKPBYRVSA-N 0 1 233.189 2.357 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@@H](C)C(C)C ZINC001120805666 989890005 /nfs/dbraw/zinc/89/00/05/989890005.db2.gz KHMFQIFEACYIOV-VIFPVBQESA-N 0 1 246.314 2.497 20 0 BEADMN CCN1CCN(c2cc(F)cc(C)n2)C[C@H]1C ZINC001120827584 989906909 /nfs/dbraw/zinc/90/69/09/989906909.db2.gz KJCKWGQLDPUSNM-LLVKDONJSA-N 0 1 237.322 2.060 20 0 BEADMN CCCN1CCN(c2cc(F)cc(C)n2)CC1 ZINC001120875868 989939244 /nfs/dbraw/zinc/93/92/44/989939244.db2.gz FEMLVNNYQHJHLD-UHFFFAOYSA-N 0 1 237.322 2.061 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ncccc2F)[nH]n1 ZINC001120908927 989961240 /nfs/dbraw/zinc/96/12/40/989961240.db2.gz BBSAHXFGLCRQBO-MRVPVSSYSA-N 0 1 234.278 2.295 20 0 BEADMN CC(C)CCCSc1nccnc1CN ZINC001120914178 989965287 /nfs/dbraw/zinc/96/52/87/989965287.db2.gz MHKZTUVBBREHHD-UHFFFAOYSA-N 0 1 225.361 2.464 20 0 BEADMN Cc1cc(F)cc(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001120914455 989966366 /nfs/dbraw/zinc/96/63/66/989966366.db2.gz QAKRQVITKJCHPL-MNOVXSKESA-N 0 1 237.322 2.058 20 0 BEADMN NCc1nccnc1N[C@@H]1CCc2ccccc21 ZINC001120945792 989980732 /nfs/dbraw/zinc/98/07/32/989980732.db2.gz HHVZKCILXMRVAZ-GFCCVEGCSA-N 0 1 240.310 2.035 20 0 BEADMN CCCCc1cc(NCCc2ccn[nH]2)ncn1 ZINC001120952850 989988160 /nfs/dbraw/zinc/98/81/60/989988160.db2.gz ABULSKDDNLPKOV-UHFFFAOYSA-N 0 1 245.330 2.197 20 0 BEADMN O=C(NCC1CCCC1)c1cccc(F)c1O ZINC001525144908 990030768 /nfs/dbraw/zinc/03/07/68/990030768.db2.gz KRAJBSFGBKNLTH-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN CC(C)(CF)[NH2+]Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001590701240 990416622 /nfs/dbraw/zinc/41/66/22/990416622.db2.gz HZQNAVMEPDWEMT-WAYWQWQTSA-N 0 1 241.262 2.215 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1ccco1 ZINC001122757405 990443435 /nfs/dbraw/zinc/44/34/35/990443435.db2.gz RQIYAJATVHOZIT-QMMMGPOBSA-N 0 1 220.228 2.229 20 0 BEADMN Cc1cc(F)ccc1NC(=O)Cc1cnc[nH]1 ZINC001538874383 990549604 /nfs/dbraw/zinc/54/96/04/990549604.db2.gz BYBYWHZZEWYXID-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN Cc1cc(CCC(=O)NC2CCCCC2)n[nH]1 ZINC001540358482 990609704 /nfs/dbraw/zinc/60/97/04/990609704.db2.gz DTZUOMJLHBDUNZ-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN Cc1cccc(NC(=O)c2cnncc2O)c1C ZINC001540600597 990628986 /nfs/dbraw/zinc/62/89/86/990628986.db2.gz UCNFDLXFLCIMLB-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CC(C)(F)C[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC001590833545 990687808 /nfs/dbraw/zinc/68/78/08/990687808.db2.gz HZNQSXYDGLYDQD-MRVPVSSYSA-N 0 1 231.292 2.212 20 0 BEADMN CC[C@@H](CC(F)F)C(=O)NCc1cc(C)[nH]n1 ZINC001543413269 990690705 /nfs/dbraw/zinc/69/07/05/990690705.db2.gz JLNXIODKIFBECP-QMMMGPOBSA-N 0 1 245.273 2.016 20 0 BEADMN Cc1cc(CCC(=O)NC2(C)CCCC2)n[nH]1 ZINC001543957032 990707038 /nfs/dbraw/zinc/70/70/38/990707038.db2.gz ZSIUHHOSNHUMJK-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN CCN(OC)C(=O)c1ccc(O)c(Cl)c1 ZINC001124039432 990742355 /nfs/dbraw/zinc/74/23/55/990742355.db2.gz FUFQJKAETFECHD-UHFFFAOYSA-N 0 1 229.663 2.069 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2cccc(F)c21 ZINC001545536398 990752758 /nfs/dbraw/zinc/75/27/58/990752758.db2.gz CUVRCNAFGRJOHL-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN COc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)n1 ZINC001137532010 990821476 /nfs/dbraw/zinc/82/14/76/990821476.db2.gz GLSDKYXGJFTMSF-ZMLRMANQSA-N 0 1 236.290 2.023 20 0 BEADMN CN(Cc1cccc2ncccc12)C1(C)COC1 ZINC001137629220 990832377 /nfs/dbraw/zinc/83/23/77/990832377.db2.gz BKUZRKJICVJGSU-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CN(C)Cc1cccc2c1OC(F)(F)O2 ZINC001138063713 990879232 /nfs/dbraw/zinc/87/92/32/990879232.db2.gz DEVPZPXXQIFULN-UHFFFAOYSA-N 0 1 215.199 2.070 20 0 BEADMN CCc1cccc(CNC(=O)c2[nH]ncc2F)c1 ZINC001557330263 990886738 /nfs/dbraw/zinc/88/67/38/990886738.db2.gz ZDAFNWOUBUNNNJ-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN CCN(Cc1ccccc1)Cc1cnc(N)nc1 ZINC001138159589 990888920 /nfs/dbraw/zinc/88/89/20/990888920.db2.gz CJUZURIVYSYQSW-UHFFFAOYSA-N 0 1 242.326 2.081 20 0 BEADMN c1cc(N2CCCCC2)oc1CN1CCC1 ZINC001138170978 990895879 /nfs/dbraw/zinc/89/58/79/990895879.db2.gz MLJJIWQVSOOZIY-UHFFFAOYSA-N 0 1 220.316 2.476 20 0 BEADMN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC001138395069 990938192 /nfs/dbraw/zinc/93/81/92/990938192.db2.gz RVYZLCNFJARAHE-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC001138395069 990938205 /nfs/dbraw/zinc/93/82/05/990938205.db2.gz RVYZLCNFJARAHE-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CCOc1ccc(CN2CC3(COC3)C2)c(C)c1 ZINC001138430980 990945668 /nfs/dbraw/zinc/94/56/68/990945668.db2.gz PVOTULVDGVMHCJ-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CCc1ncc(CNC(=O)[C@@]2(C)CC=CCC2)[nH]1 ZINC001558497201 990949778 /nfs/dbraw/zinc/94/97/78/990949778.db2.gz FGTIAHFGWCBNHK-AWEZNQCLSA-N 0 1 247.342 2.335 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)NCc1cnc(CC)[nH]1 ZINC001558498149 990952294 /nfs/dbraw/zinc/95/22/94/990952294.db2.gz QUWUACPVGHJWCE-MWLCHTKSSA-N 0 1 235.331 2.025 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC[C@@H]2CC)[nH]1 ZINC001558497571 990953452 /nfs/dbraw/zinc/95/34/52/990953452.db2.gz UPCQXMBWDORVMU-JQWIXIFHSA-N 0 1 249.358 2.415 20 0 BEADMN Cc1coc(C(=O)NCc2cnc(C(C)C)[nH]2)c1 ZINC001558560087 990967560 /nfs/dbraw/zinc/96/75/60/990967560.db2.gz GSEQQGUHEYVSSE-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN C/C=C/C=C\C(=O)Nc1ccc2cncn2c1 ZINC001558589576 990973110 /nfs/dbraw/zinc/97/31/10/990973110.db2.gz BUAMBMYCGDUQET-IAROGAJJSA-N 0 1 227.267 2.405 20 0 BEADMN O=c1cc(CNc2ccc3nc[nH]c3c2)cc[nH]1 ZINC001308399751 990981894 /nfs/dbraw/zinc/98/18/94/990981894.db2.gz XRMAACJXRIDANH-UHFFFAOYSA-N 0 1 240.266 2.276 20 0 BEADMN CCn1nc(C)c(CN2CC[C@H]2C)c1C ZINC001138640941 990990975 /nfs/dbraw/zinc/99/09/75/990990975.db2.gz JBRKTXDNKXDGCE-SECBINFHSA-N 0 1 207.321 2.114 20 0 BEADMN Cc1ncccc1CNCc1ccc(F)nc1 ZINC001308484079 991005105 /nfs/dbraw/zinc/00/51/05/991005105.db2.gz LJEAPMAWBHGLJW-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCn2nncc2C1 ZINC001258096903 991005596 /nfs/dbraw/zinc/00/55/96/991005596.db2.gz XJPLCQGDQFTNRS-LBPRGKRZSA-N 0 1 234.347 2.229 20 0 BEADMN CSc1cccc(NC(=O)c2[nH]cnc2C)n1 ZINC001558978545 991011914 /nfs/dbraw/zinc/01/19/14/991011914.db2.gz FSGQQUVGLDCVHG-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN Cc1cc(CN[C@H](C)c2ncccc2C)[nH]n1 ZINC001308550018 991030948 /nfs/dbraw/zinc/03/09/48/991030948.db2.gz ZALGPKWYFGEGMK-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN CN(Cc1cccnc1F)CC1CCOCC1 ZINC001138782794 991037779 /nfs/dbraw/zinc/03/77/79/991037779.db2.gz FINVMFQGMSWKQS-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN CC(C)N(C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138773469 991037863 /nfs/dbraw/zinc/03/78/63/991037863.db2.gz FVHDNHIMHJBUQX-CYBMUJFWSA-N 0 1 237.347 2.422 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138776753 991041724 /nfs/dbraw/zinc/04/17/24/991041724.db2.gz XGTKESMXFOECSY-SCRDCRAPSA-N 0 1 247.342 2.034 20 0 BEADMN CCCn1cncc1CN(C)C1CCC1 ZINC001308605859 991057668 /nfs/dbraw/zinc/05/76/68/991057668.db2.gz UHVULEYUTXUMHS-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN O[C@@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC001138816405 991071518 /nfs/dbraw/zinc/07/15/18/991071518.db2.gz QTPPSJZZGFUWIZ-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN CC(=O)OC1CN(C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258175285 991073439 /nfs/dbraw/zinc/07/34/39/991073439.db2.gz SCCHACGHBHVNCT-NXEZZACHSA-N 0 1 225.332 2.058 20 0 BEADMN OC1CC2(C1)CN(Cc1ccc3occc3c1)C2 ZINC001138822515 991076394 /nfs/dbraw/zinc/07/63/94/991076394.db2.gz HEWDUCQDTZPZDU-UHFFFAOYSA-N 0 1 243.306 2.390 20 0 BEADMN Cc1cc(CN2CCCCC23CC3)nn1C ZINC001138831146 991081033 /nfs/dbraw/zinc/08/10/33/991081033.db2.gz VRMHAMPAESMXMJ-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN C1=CCN(Cc2cnc3ccccc3n2)C1 ZINC001138863604 991089452 /nfs/dbraw/zinc/08/94/52/991089452.db2.gz SBWDXLYIRNNWJD-UHFFFAOYSA-N 0 1 211.268 2.002 20 0 BEADMN C[C@H](Cc1ccco1)N1CCOC(C)(C)C1 ZINC001258187293 991095383 /nfs/dbraw/zinc/09/53/83/991095383.db2.gz WIMCMYGVBNGSSI-LLVKDONJSA-N 0 1 223.316 2.321 20 0 BEADMN Cc1c[nH]c(CN2[C@H](C)CCC[C@H]2C)n1 ZINC001138935400 991102793 /nfs/dbraw/zinc/10/27/93/991102793.db2.gz NLXDOMAKOOXYBS-GHMZBOCLSA-N 0 1 207.321 2.481 20 0 BEADMN CC[C@H]1COCCN1[C@H](C)Cc1ccco1 ZINC001258194865 991103982 /nfs/dbraw/zinc/10/39/82/991103982.db2.gz LSNIWXHCYCKMDX-NEPJUHHUSA-N 0 1 223.316 2.321 20 0 BEADMN C[C@H](Cc1ccco1)N1CCCCC12COC2 ZINC001258193185 991104902 /nfs/dbraw/zinc/10/49/02/991104902.db2.gz VODPSERVOZZEFS-GFCCVEGCSA-N 0 1 235.327 2.466 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@H](C)O[C@@H](C)C1 ZINC001258194158 991106779 /nfs/dbraw/zinc/10/67/79/991106779.db2.gz BXFGXUSMFICJID-SRVKXCTJSA-N 0 1 223.316 2.320 20 0 BEADMN CCC(=O)Oc1ccc(CN2CCC2)cc1 ZINC001138963020 991114502 /nfs/dbraw/zinc/11/45/02/991114502.db2.gz RYCCYQHOIVBCDL-UHFFFAOYSA-N 0 1 219.284 2.208 20 0 BEADMN O[C@H]1CN(Cc2cc3ccccc3o2)CC[C@H]1F ZINC001139062509 991137878 /nfs/dbraw/zinc/13/78/78/991137878.db2.gz ZIGFFFPOZMKDLO-OLZOCXBDSA-N 0 1 249.285 2.338 20 0 BEADMN CCc1cccc(NC(=O)NCCN2CCC2)c1 ZINC001202893977 991139550 /nfs/dbraw/zinc/13/95/50/991139550.db2.gz WPKNQSZONWLWLL-UHFFFAOYSA-N 0 1 247.342 2.076 20 0 BEADMN COc1ccc(CN2C[C@H]3CC[C@@H]2C3)nc1OC ZINC001139105703 991150431 /nfs/dbraw/zinc/15/04/31/991150431.db2.gz YTMKVPHGTZSILB-CMPLNLGQSA-N 0 1 248.326 2.083 20 0 BEADMN COc1cc(O)ccc1CN(C)CCSC ZINC001139145309 991167548 /nfs/dbraw/zinc/16/75/48/991167548.db2.gz YSHMTGUFCDJCFY-UHFFFAOYSA-N 0 1 241.356 2.196 20 0 BEADMN CCCC[C@@](C)(CO)NCc1ncccc1F ZINC001308834401 991168580 /nfs/dbraw/zinc/16/85/80/991168580.db2.gz BLXMIACRCIYXOD-ZDUSSCGKSA-N 0 1 240.322 2.252 20 0 BEADMN C[C@H]1COCCN1Cc1cccc2c1ccn2C ZINC001139157736 991169232 /nfs/dbraw/zinc/16/92/32/991169232.db2.gz RBMPTRPOODOJIS-LBPRGKRZSA-N 0 1 244.338 2.399 20 0 BEADMN c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc2nsnc12 ZINC001139210798 991195549 /nfs/dbraw/zinc/19/55/49/991195549.db2.gz UOPYVPCSWFTVEP-AOOOYVTPSA-N 0 1 231.324 2.143 20 0 BEADMN CC1(C)CCC[C@@H](n2ccnc2CN)C1 ZINC001258275104 991197220 /nfs/dbraw/zinc/19/72/20/991197220.db2.gz CJHVXNWONAGVPP-SNVBAGLBSA-N 0 1 207.321 2.483 20 0 BEADMN CCC1(CN2CC[C@@](C)(F)[C@@H](F)C2)COC1 ZINC001202926770 991227237 /nfs/dbraw/zinc/22/72/37/991227237.db2.gz KQCBGRPHHSFBCE-WDEREUQCSA-N 0 1 233.302 2.185 20 0 BEADMN OC[C@@H](NCCC1CCCCC1)c1ncc[nH]1 ZINC001308954460 991231075 /nfs/dbraw/zinc/23/10/75/991231075.db2.gz IXYJRJPWVMTYQB-GFCCVEGCSA-N 0 1 237.347 2.003 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1csnn1 ZINC001559737630 991231410 /nfs/dbraw/zinc/23/14/10/991231410.db2.gz KYSCITVGRLZAKI-LPEHRKFASA-N 0 1 241.360 2.004 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](CC)[C@@H]1C ZINC001559767892 991246502 /nfs/dbraw/zinc/24/65/02/991246502.db2.gz AUPBXXJPYQHXOB-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1[nH]ncc1-c1nnc(CCC(C)C)o1 ZINC001258322376 991248742 /nfs/dbraw/zinc/24/87/42/991248742.db2.gz GYRCLOGAUXXSRK-UHFFFAOYSA-N 0 1 220.276 2.357 20 0 BEADMN c1ccc(OC2CN(CC[C@H]3CCOC3)C2)cc1 ZINC001308988925 991254270 /nfs/dbraw/zinc/25/42/70/991254270.db2.gz DNWJPOOUPYDGKK-ZDUSSCGKSA-N 0 1 247.338 2.176 20 0 BEADMN CC(C)C[C@@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001559771416 991255894 /nfs/dbraw/zinc/25/58/94/991255894.db2.gz VJVOLSVMYBOSHP-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1CCN(CCCC(C)C)C(C)(C)C1=O ZINC001559779142 991257249 /nfs/dbraw/zinc/25/72/49/991257249.db2.gz LSFWSEWRTCBXGH-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CSC(C)(C)C[C@H](C)N(C)CC(C)=O ZINC001258334400 991261379 /nfs/dbraw/zinc/26/13/79/991261379.db2.gz FVROQPHQAUTWMC-VIFPVBQESA-N 0 1 217.378 2.427 20 0 BEADMN CCc1cnc(CN[C@@H](C(C)C)C(C)(C)O)o1 ZINC001559820002 991266750 /nfs/dbraw/zinc/26/67/50/991266750.db2.gz DZXAHEXBZMKYMD-LBPRGKRZSA-N 0 1 240.347 2.122 20 0 BEADMN CSC(C)(C)C[C@H](C)N1CC2(CCO2)C1 ZINC001258339831 991269144 /nfs/dbraw/zinc/26/91/44/991269144.db2.gz BBEBYYJWOSZWMH-JTQLQIEISA-N 0 1 229.389 2.381 20 0 BEADMN CCN(CC)Cc1cn2c(cccc2F)n1 ZINC001139566526 991273037 /nfs/dbraw/zinc/27/30/37/991273037.db2.gz OTRVGDODDKXEIK-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN COc1ccncc1CN1CCC2(CC2)C1 ZINC001139606738 991284623 /nfs/dbraw/zinc/28/46/23/991284623.db2.gz OPUOPEQVKXDBOK-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN COc1ccncc1CN1CCCC12CC2 ZINC001139605644 991288950 /nfs/dbraw/zinc/28/89/50/991288950.db2.gz FAAZDIAOSDTRBD-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN CCOc1ccncc1CN1CCCC1 ZINC001139627723 991299745 /nfs/dbraw/zinc/29/97/45/991299745.db2.gz ZOFXJGINQIBQRV-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN CCOc1ccncc1CN1C[C@H]2CC[C@@H]1C2 ZINC001139628771 991301342 /nfs/dbraw/zinc/30/13/42/991301342.db2.gz GSPHBYRSIHZHLY-WCQYABFASA-N 0 1 232.327 2.465 20 0 BEADMN COC(=O)CC[C@H](C)N1Cc2ccccc2C1 ZINC001258365869 991307314 /nfs/dbraw/zinc/30/73/14/991307314.db2.gz GBKUPHKBXODBDV-NSHDSACASA-N 0 1 233.311 2.344 20 0 BEADMN C[C@H]1CCCCN1Cc1cn2ccncc2n1 ZINC001139692707 991321032 /nfs/dbraw/zinc/32/10/32/991321032.db2.gz GFIFUWXXIKEDDB-NSHDSACASA-N 0 1 230.315 2.104 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cn3ccncc3n2)C1 ZINC001139699439 991324632 /nfs/dbraw/zinc/32/46/32/991324632.db2.gz YUFOHNRUPGFHQR-TXEJJXNPSA-N 0 1 244.342 2.207 20 0 BEADMN COc1cc(CN2C[C@H]3CCCC[C@H]32)on1 ZINC001559970645 991347420 /nfs/dbraw/zinc/34/74/20/991347420.db2.gz CJLFWOGUWKVYID-MWLCHTKSSA-N 0 1 222.288 2.058 20 0 BEADMN COc1ccc(CC[C@@H](C)N2CC(C)(O)C2)cc1 ZINC001258398162 991347618 /nfs/dbraw/zinc/34/76/18/991347618.db2.gz PPOPHZYONAIVIV-GFCCVEGCSA-N 0 1 249.354 2.083 20 0 BEADMN CCCCC[C@H](CC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258427761 991356604 /nfs/dbraw/zinc/35/66/04/991356604.db2.gz GWMVYWSHSTVOSB-WPRPVWTQSA-N 0 1 244.360 2.244 20 0 BEADMN CCCCC[C@@H](CC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258427759 991356743 /nfs/dbraw/zinc/35/67/43/991356743.db2.gz GWMVYWSHSTVOSB-SCZZXKLOSA-N 0 1 244.360 2.244 20 0 BEADMN Cc1cnc(CN2C[C@H](CO)CC[C@H]2C)s1 ZINC001139809301 991375587 /nfs/dbraw/zinc/37/55/87/991375587.db2.gz VNPHYQAUTGULCX-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN CCCCC[C@H](CC)N1CCN(C)C(=O)C1 ZINC001258437105 991376078 /nfs/dbraw/zinc/37/60/78/991376078.db2.gz WAZCAPFUAWKNGC-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1cnc(CN2C[C@@H](CO)CC[C@H]2C)s1 ZINC001139809299 991378166 /nfs/dbraw/zinc/37/81/66/991378166.db2.gz VNPHYQAUTGULCX-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN CCCCC[C@@H](CC)N1CCNC(=O)[C@@H]1C ZINC001258441987 991379566 /nfs/dbraw/zinc/37/95/66/991379566.db2.gz BCTVKPZLSCALSF-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN COCc1ccc(CN2CC(C)C2)s1 ZINC001139824242 991382270 /nfs/dbraw/zinc/38/22/70/991382270.db2.gz RMVBTQYJFJVBNS-UHFFFAOYSA-N 0 1 211.330 2.346 20 0 BEADMN CCCCC[C@H](CC)N1CCNC(=O)[C@@H]1C ZINC001258441988 991383288 /nfs/dbraw/zinc/38/32/88/991383288.db2.gz BCTVKPZLSCALSF-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccnc(F)c3)C[C@H]12 ZINC001139837462 991393435 /nfs/dbraw/zinc/39/34/35/991393435.db2.gz DMTOILNRNDEJMU-RYUDHWBXSA-N 0 1 248.301 2.022 20 0 BEADMN Fc1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)ccn1 ZINC001139836456 991395074 /nfs/dbraw/zinc/39/50/74/991395074.db2.gz LDGINSOQUPVFNO-ZJUUUORDSA-N 0 1 242.244 2.308 20 0 BEADMN Fc1cc(CN2CCC3(CC3)C2)ccn1 ZINC001139836181 991397255 /nfs/dbraw/zinc/39/72/55/991397255.db2.gz CEFWYRZBLHDWKC-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN CCCCC[C@@H](CC)N1CCN(C#N)CC1 ZINC001258447997 991397808 /nfs/dbraw/zinc/39/78/08/991397808.db2.gz KUTBENGTGKRHDR-CYBMUJFWSA-N 0 1 223.364 2.444 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(C)cn2)C1 ZINC001139842271 991400710 /nfs/dbraw/zinc/40/07/10/991400710.db2.gz CYDNKZNYHLJZMY-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN O[C@@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC001139845675 991401066 /nfs/dbraw/zinc/40/10/66/991401066.db2.gz KXCSTORLGZJFDW-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H](CC1CC1)N[C@@H]1NC(=O)c2ccccc21 ZINC001258455763 991409398 /nfs/dbraw/zinc/40/93/98/991409398.db2.gz WFZMGWMZFBKWPF-NOZJJQNGSA-N 0 1 230.311 2.207 20 0 BEADMN CN(Cc1cc2n(n1)CCCC2)CC1CCC1 ZINC001560200880 991413204 /nfs/dbraw/zinc/41/32/04/991413204.db2.gz RAVDEAGVRFMSAH-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001139931249 991422585 /nfs/dbraw/zinc/42/25/85/991422585.db2.gz OEEQGZXLYMVCFV-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN Cn1cncc1C1CCN(C/C=C/Cl)CC1 ZINC001560233695 991429354 /nfs/dbraw/zinc/42/93/54/991429354.db2.gz IVWJOHJTIBKAPM-GORDUTHDSA-N 0 1 239.750 2.352 20 0 BEADMN CCCC1CCN(Cc2cccnn2)CC1 ZINC001139973580 991442544 /nfs/dbraw/zinc/44/25/44/991442544.db2.gz ZDKXCSMJYYDQOK-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN CCC(=O)NC[C@@H]1CCCCN1C[C@H](F)CC ZINC001317165436 991457629 /nfs/dbraw/zinc/45/76/29/991457629.db2.gz IHTLPGFQCYTYFS-NEPJUHHUSA-N 0 1 244.354 2.115 20 0 BEADMN CCC(=O)NC[C@@H]1CCCCN1C[C@@H](F)CC ZINC001317165440 991458757 /nfs/dbraw/zinc/45/87/57/991458757.db2.gz IHTLPGFQCYTYFS-RYUDHWBXSA-N 0 1 244.354 2.115 20 0 BEADMN c1nc(CNc2cccc3[nH]nnc32)cs1 ZINC001560477502 991483443 /nfs/dbraw/zinc/48/34/43/991483443.db2.gz NZNXRCXUWQDTDA-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN CC1(C)CC[C@@H](NCc2ncc(F)cn2)C1 ZINC001258593306 991492319 /nfs/dbraw/zinc/49/23/19/991492319.db2.gz PPQVUJUVHFBREU-SNVBAGLBSA-N 0 1 223.295 2.284 20 0 BEADMN C[C@@H]1CCN(Cc2cc(O)ccc2F)C1 ZINC001140045055 991497986 /nfs/dbraw/zinc/49/79/86/991497986.db2.gz BBRAGJYQOQSHGU-SECBINFHSA-N 0 1 209.264 2.373 20 0 BEADMN Clc1cscc1CNCc1cnc[nH]1 ZINC001560591158 991509521 /nfs/dbraw/zinc/50/95/21/991509521.db2.gz SKXLNCWGFWIYRG-UHFFFAOYSA-N 0 1 227.720 2.414 20 0 BEADMN COc1ccc2n[nH]c(CN3CC(C)(C)C3)c2c1 ZINC001140065321 991517011 /nfs/dbraw/zinc/51/70/11/991517011.db2.gz DSESDOFOMBPPOM-UHFFFAOYSA-N 0 1 245.326 2.413 20 0 BEADMN CN(Cc1ccc(O)cc1Cl)CC1COC1 ZINC001140085541 991521355 /nfs/dbraw/zinc/52/13/55/991521355.db2.gz QYBINRMTOCLYPK-UHFFFAOYSA-N 0 1 241.718 2.124 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CCC(C)(C)C1 ZINC001258608094 991525641 /nfs/dbraw/zinc/52/56/41/991525641.db2.gz XWXKRKYODWXDLG-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc(CN[C@H](C)Cc2cccnc2)c(C)o1 ZINC001258608507 991527153 /nfs/dbraw/zinc/52/71/53/991527153.db2.gz AOVXEKYHTGBXQK-SNVBAGLBSA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCOCC1(C)C ZINC001258628858 991567128 /nfs/dbraw/zinc/56/71/28/991567128.db2.gz UOEZBOKZLXTODT-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@H](C)Cc1cccnc1)C2 ZINC001258633843 991575022 /nfs/dbraw/zinc/57/50/22/991575022.db2.gz LFZFYAWOIZJYCZ-SNPRPXQTSA-N 0 1 246.354 2.266 20 0 BEADMN C[N@@H+](CCc1ccccc1)Cc1ccncc1[O-] ZINC001140274901 991577594 /nfs/dbraw/zinc/57/75/94/991577594.db2.gz IBAPYMNGVWNBRO-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317727483 991577623 /nfs/dbraw/zinc/57/76/23/991577623.db2.gz BEBOLLPULJADEI-STQMWFEESA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H]1CN([C@H](C)Cc2cccnc2)CCO1 ZINC001258635131 991579188 /nfs/dbraw/zinc/57/91/88/991579188.db2.gz XELJNFGZDRJPJG-HIFRSBDPSA-N 0 1 248.370 2.369 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H](C)OC[C@@H]1C ZINC001258632358 991579314 /nfs/dbraw/zinc/57/93/14/991579314.db2.gz XXHODGNNSDENHS-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)n1cc2c(n1)[C@@H](N[C@H]1CCOC1)CCC2 ZINC001560734477 991580659 /nfs/dbraw/zinc/58/06/59/991580659.db2.gz MLHMGDFSSYVHLW-STQMWFEESA-N 0 1 249.358 2.220 20 0 BEADMN CC(C)[N@H+](Cc1ccncc1[O-])CC1CC1 ZINC001140277533 991586183 /nfs/dbraw/zinc/58/61/83/991586183.db2.gz CVKOHKBHPOQDQP-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN Oc1cnccc1CN1CC2(C1)CC(F)(F)C2 ZINC001140275917 991588076 /nfs/dbraw/zinc/58/80/76/991588076.db2.gz WVCLAYWHDCFDJC-UHFFFAOYSA-N 0 1 240.253 2.018 20 0 BEADMN CC(C)(C)N1CCN(C(=O)C2CCCC2)CC1 ZINC001317980645 991602265 /nfs/dbraw/zinc/60/22/65/991602265.db2.gz IRKUGCFLCQKVHX-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc2[nH]nc(CN3CC=CC3)c2c1 ZINC001140328588 991605156 /nfs/dbraw/zinc/60/51/56/991605156.db2.gz HGDKJRPHYGZDJQ-UHFFFAOYSA-N 0 1 213.284 2.243 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC=CC3)c2c1 ZINC001140328588 991605159 /nfs/dbraw/zinc/60/51/59/991605159.db2.gz HGDKJRPHYGZDJQ-UHFFFAOYSA-N 0 1 213.284 2.243 20 0 BEADMN CN(C)C(=O)CN(Cc1ccccc1)C1CCC1 ZINC001203022194 991606704 /nfs/dbraw/zinc/60/67/04/991606704.db2.gz VOGRGMXMYIWCPD-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1ccc2[nH]nc(CN3CC[C@@H]3C)c2c1 ZINC001140329429 991609947 /nfs/dbraw/zinc/60/99/47/991609947.db2.gz WNHGHODCFKSVLH-JTQLQIEISA-N 0 1 215.300 2.466 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC[C@@H]3C)c2c1 ZINC001140329429 991609951 /nfs/dbraw/zinc/60/99/51/991609951.db2.gz WNHGHODCFKSVLH-JTQLQIEISA-N 0 1 215.300 2.466 20 0 BEADMN COC[C@H]1CCN1Cc1[nH]nc2ccc(C)cc21 ZINC001140331555 991610338 /nfs/dbraw/zinc/61/03/38/991610338.db2.gz KSNQAWDXLCJVIE-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCCC(=O)C3)c2c1 ZINC001140329962 991610772 /nfs/dbraw/zinc/61/07/72/991610772.db2.gz GJGJQVQLDRCRHJ-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN CCCC1CCN(Cc2ccncn2)CC1 ZINC001140347364 991617307 /nfs/dbraw/zinc/61/73/07/991617307.db2.gz GQOYJZOZRDPIKX-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN F[C@H]1CCN(Cc2ccc3n[nH]cc3c2)C1 ZINC001140384266 991625567 /nfs/dbraw/zinc/62/55/67/991625567.db2.gz GNCXKEOGIMWHBQ-NSHDSACASA-N 0 1 219.263 2.107 20 0 BEADMN CN(Cc1ccc2c(c1)CCC2)C1(C)COC1 ZINC001203034334 991638658 /nfs/dbraw/zinc/63/86/58/991638658.db2.gz ZDUXFCNUMHGEAH-UHFFFAOYSA-N 0 1 231.339 2.396 20 0 BEADMN Cc1[nH]c(C[N@H+](C)C(C)C)c(C)c1C(=O)[O-] ZINC001140493866 991654931 /nfs/dbraw/zinc/65/49/31/991654931.db2.gz NJLFCHCXYWFLDL-UHFFFAOYSA-N 0 1 224.304 2.170 20 0 BEADMN C[N@H+](Cc1ccno1)Cc1ccccc1C(=O)[O-] ZINC001140503195 991656833 /nfs/dbraw/zinc/65/68/33/991656833.db2.gz OFWHAJDNBRBQHM-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccno1)Cc1ccccc1C(=O)[O-] ZINC001140503195 991656840 /nfs/dbraw/zinc/65/68/40/991656840.db2.gz OFWHAJDNBRBQHM-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)Cc2ccoc2)[nH]1 ZINC001318677888 991697540 /nfs/dbraw/zinc/69/75/40/991697540.db2.gz GJQUXTUZDFKADM-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN CCCC[C@@H](CCC)N1CCn2nncc2C1 ZINC001258765083 991725428 /nfs/dbraw/zinc/72/54/28/991725428.db2.gz AXSKAXPFVITTSY-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)Nc1ccc(F)cc1 ZINC001562162725 991740700 /nfs/dbraw/zinc/74/07/00/991740700.db2.gz XXTHPVPHIXKTJF-UHFFFAOYSA-N 0 1 248.261 2.213 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(C)CCC2)n1 ZINC001319011726 991763616 /nfs/dbraw/zinc/76/36/16/991763616.db2.gz GLJQVTRARQKZJA-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)C2(C)CCC2)n[nH]1 ZINC001319011726 991763621 /nfs/dbraw/zinc/76/36/21/991763621.db2.gz GLJQVTRARQKZJA-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258796151 991788419 /nfs/dbraw/zinc/78/84/19/991788419.db2.gz XTOBXQSZLWNPTK-YFKTTZPYSA-N 0 1 244.354 2.099 20 0 BEADMN CCC=C(F)C(=O)NCc1nc2ccccc2[nH]1 ZINC001565583227 991790264 /nfs/dbraw/zinc/79/02/64/991790264.db2.gz BQAVPCFDTDDRAO-UITAMQMPSA-N 0 1 247.273 2.443 20 0 BEADMN C[C@@H]1CCC[C@@H](N[C@H]2CCSC2=O)C1 ZINC001258807197 991790691 /nfs/dbraw/zinc/79/06/91/991790691.db2.gz FTMZMGBIWSBOQA-BBBLOLIVSA-N 0 1 213.346 2.187 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC23CCC3)n1 ZINC001319109134 991792194 /nfs/dbraw/zinc/79/21/94/991792194.db2.gz MJMDQLFBGBOZFO-QMMMGPOBSA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC23CCC3)n[nH]1 ZINC001319109134 991792206 /nfs/dbraw/zinc/79/22/06/991792206.db2.gz MJMDQLFBGBOZFO-QMMMGPOBSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H]1CCC[C@@H](N[C@H]2CCSC2=O)C1 ZINC001258807195 991796239 /nfs/dbraw/zinc/79/62/39/991796239.db2.gz FTMZMGBIWSBOQA-AEJSXWLSSA-N 0 1 213.346 2.187 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC001591123056 991801352 /nfs/dbraw/zinc/80/13/52/991801352.db2.gz KSICUOROUZERBB-SRVKXCTJSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)C1CCC(N2CC(=O)NC[C@H]2C)CC1 ZINC001258805564 991803393 /nfs/dbraw/zinc/80/33/93/991803393.db2.gz RLMQUCJWOMXZCI-PNESKVBLSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cnc(CN)n1[C@@H]1CCC[C@@H](C)C1 ZINC001258808580 991813525 /nfs/dbraw/zinc/81/35/25/991813525.db2.gz RLRGBUFPQRALSA-MWLCHTKSSA-N 0 1 207.321 2.401 20 0 BEADMN C[C@H]1CCC[C@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258810538 991817973 /nfs/dbraw/zinc/81/79/73/991817973.db2.gz NSLVKDXIHJINEA-QWRGUYRKSA-N 0 1 249.291 2.113 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC001566247226 991836921 /nfs/dbraw/zinc/83/69/21/991836921.db2.gz CLWWJXRFKMFNPW-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1CCC[C@@H](N2CCc3c(ncn3C)C2)C1 ZINC001258825904 991850293 /nfs/dbraw/zinc/85/02/93/991850293.db2.gz GHKVSQUFKFRVAC-VXGBXAGGSA-N 0 1 233.359 2.357 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)OCCCF ZINC001319422671 991862454 /nfs/dbraw/zinc/86/24/54/991862454.db2.gz PHSWWAPGWSPQRO-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1CCN(C#N)CC1 ZINC001258851184 991883645 /nfs/dbraw/zinc/88/36/45/991883645.db2.gz FTEGSRADBOZQTH-HNNXBMFYSA-N 0 1 243.354 2.106 20 0 BEADMN C[N@@H+](C[C@@H]1CC=CCC1)CC1(C(=O)[O-])CC1 ZINC001598453205 991912313 /nfs/dbraw/zinc/91/23/13/991912313.db2.gz DKQVIRRENTXJPF-LLVKDONJSA-N 0 1 223.316 2.139 20 0 BEADMN Cc1nc(CN2CC[C@@H]3C[C@@H]32)c(C)s1 ZINC001319646861 991923689 /nfs/dbraw/zinc/92/36/89/991923689.db2.gz PCUOSNNAEDJMLF-KOLCDFICSA-N 0 1 208.330 2.354 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)[nH]n1 ZINC001319711973 991930269 /nfs/dbraw/zinc/93/02/69/991930269.db2.gz NFZYKRQEMVHTIO-ZJUUUORDSA-N 0 1 225.361 2.044 20 0 BEADMN Cc1cc(CN2CCSC(C)(C)C2)[nH]n1 ZINC001319707008 991948110 /nfs/dbraw/zinc/94/81/10/991948110.db2.gz IGZRNQSADVJTPV-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN O=S(=O)(Nc1cscn1)C1CCCCC1 ZINC001259809467 991993552 /nfs/dbraw/zinc/99/35/52/991993552.db2.gz NNKDRDHJRCBJCK-UHFFFAOYSA-N 0 1 246.357 2.218 20 0 BEADMN CCCN(CCF)CCNC(=O)CC(C)(C)C ZINC001567421968 992032594 /nfs/dbraw/zinc/03/25/94/992032594.db2.gz KVYFZLNVWRGFQQ-UHFFFAOYSA-N 0 1 246.370 2.220 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598471955 992040433 /nfs/dbraw/zinc/04/04/33/992040433.db2.gz HEHVQTNWQWBHEQ-DTWKUNHWSA-N 0 1 249.301 2.320 20 0 BEADMN CCc1nnc(NC(=O)[C@@H](C)C2CCCC2)[nH]1 ZINC001320004971 992069772 /nfs/dbraw/zinc/06/97/72/992069772.db2.gz FZYNYGIOJPOHJI-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](C)C2CCCC2)n1 ZINC001320004971 992069782 /nfs/dbraw/zinc/06/97/82/992069782.db2.gz FZYNYGIOJPOHJI-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CC(C)=CCC[C@@H](C)CCN1CC(O)C1 ZINC000362309964 992190669 /nfs/dbraw/zinc/19/06/69/992190669.db2.gz VAKMNIYTPWOFHU-GFCCVEGCSA-N 0 1 211.349 2.436 20 0 BEADMN CC(C)CCN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC001320469475 992212555 /nfs/dbraw/zinc/21/25/55/992212555.db2.gz LXOREOWITGWTOV-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC(C)(C)ONC(=O)[C@H]1CCc2cccc(O)c21 ZINC001261261495 992237368 /nfs/dbraw/zinc/23/73/68/992237368.db2.gz XZHJFMWJYAAEGK-JTQLQIEISA-N 0 1 249.310 2.268 20 0 BEADMN CN(C)C(=O)OCCN1CC[C@@H]1c1ccccc1 ZINC001320666167 992302796 /nfs/dbraw/zinc/30/27/96/992302796.db2.gz NOCOLEOJUXCPCW-CYBMUJFWSA-N 0 1 248.326 2.132 20 0 BEADMN CC(C)=CCN1CC[C@H]1CNC(=O)C=C(C)C ZINC001569344407 992365333 /nfs/dbraw/zinc/36/53/33/992365333.db2.gz DYUZWSCRDLMHKL-ZDUSSCGKSA-N 0 1 236.359 2.109 20 0 BEADMN COC1(CSc2nnc(C)[nH]2)CCCC1 ZINC001320814546 992369126 /nfs/dbraw/zinc/36/91/26/992369126.db2.gz OODIMARHOFQLLI-UHFFFAOYSA-N 0 1 227.333 2.164 20 0 BEADMN CC(C)=CCN1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001569381223 992378172 /nfs/dbraw/zinc/37/81/72/992378172.db2.gz KNCSDFIQOBRIHU-GFCCVEGCSA-N 0 1 238.375 2.189 20 0 BEADMN C=C/C=C/CC(=O)NCc1ccc2nc[nH]c2c1 ZINC001569387757 992380073 /nfs/dbraw/zinc/38/00/73/992380073.db2.gz CLYCFSOVVCJTQE-ONEGZZNKSA-N 0 1 241.294 2.311 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])CC1=CCSC1 ZINC001261636456 992431368 /nfs/dbraw/zinc/43/13/68/992431368.db2.gz KTUSOOIVIODMLJ-UHFFFAOYSA-N 0 1 243.372 2.236 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2[C@@H](C)O)c(C)s1 ZINC001261642006 992435145 /nfs/dbraw/zinc/43/51/45/992435145.db2.gz STMODSIJBIJATG-PRHODGIISA-N 0 1 240.372 2.105 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1cccc(F)c1 ZINC001570612669 992492177 /nfs/dbraw/zinc/49/21/77/992492177.db2.gz YXHGJGRNMXAOHU-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cn1cc(CN[C@H]2C=CCCC2)c(Cl)n1 ZINC001261762534 992494455 /nfs/dbraw/zinc/49/44/55/992494455.db2.gz WQCOSISMPFBCHB-JTQLQIEISA-N 0 1 225.723 2.272 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1Cc1ccncc1 ZINC001261890440 992561115 /nfs/dbraw/zinc/56/11/15/992561115.db2.gz DWPAFPRCPJEMDK-UHFFFAOYSA-N 0 1 243.310 2.360 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1)C(=O)[O-] ZINC001573388845 992612719 /nfs/dbraw/zinc/61/27/19/992612719.db2.gz NOABCRBBTUMYDY-WUAIAJHSSA-N 0 1 249.354 2.385 20 0 BEADMN CCc1cccc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001262077509 992654710 /nfs/dbraw/zinc/65/47/10/992654710.db2.gz GJDAMALEFOSGMX-BETUJISGSA-N 0 1 244.338 2.139 20 0 BEADMN CCC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@H](C)C(=O)[O-] ZINC001573752409 992699206 /nfs/dbraw/zinc/69/92/06/992699206.db2.gz JOVILGNZILQNNZ-MNOVXSKESA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573770317 992708247 /nfs/dbraw/zinc/70/82/47/992708247.db2.gz OVYUKGWYCLWQMU-RSLMWUCJSA-N 0 1 239.359 2.464 20 0 BEADMN Cc1cc(C[N@@H+](CCC(=O)[O-])C2CC2)cc(C)n1 ZINC001574133396 992811172 /nfs/dbraw/zinc/81/11/72/992811172.db2.gz BTUZMWJDMPVPSZ-UHFFFAOYSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1ccc2c(c1)CC[N@H+](C[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001574158920 992814790 /nfs/dbraw/zinc/81/47/90/992814790.db2.gz LOYSFLOBPHWYKR-UONOGXRCSA-N 0 1 245.322 2.074 20 0 BEADMN c1ccc(CN(CCOC2CC2)C2CC2)nc1 ZINC001262236469 992815979 /nfs/dbraw/zinc/81/59/79/992815979.db2.gz FUJPKVGCDRMIEJ-UHFFFAOYSA-N 0 1 232.327 2.225 20 0 BEADMN CC(C)[N@@H+](CCc1ccc(F)cc1)CC(=O)[O-] ZINC001591595336 992818461 /nfs/dbraw/zinc/81/84/61/992818461.db2.gz LXLPMMORUNDZOR-UHFFFAOYSA-N 0 1 239.290 2.163 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC001574214332 992820346 /nfs/dbraw/zinc/82/03/46/992820346.db2.gz WKTJFXRVEXKZTR-CYBMUJFWSA-N 0 1 249.310 2.053 20 0 BEADMN COC[C@H]1CCCCN([C@@H](C)c2ncccn2)C1 ZINC001262261330 992827021 /nfs/dbraw/zinc/82/70/21/992827021.db2.gz KZIAXUORYWBORZ-STQMWFEESA-N 0 1 249.358 2.286 20 0 BEADMN CCCC1CCN(c2nc(C)cc(N)n2)CC1 ZINC001262360215 992858534 /nfs/dbraw/zinc/85/85/34/992858534.db2.gz ZHZHCQBQEVERDI-UHFFFAOYSA-N 0 1 234.347 2.384 20 0 BEADMN Cc1cc(C)nc(CSCc2nnc[nH]2)c1 ZINC001262481988 992888104 /nfs/dbraw/zinc/88/81/04/992888104.db2.gz MYEXEIXDQSHDKW-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CCOC(=O)[C@@H]1C[C@H]1COc1cc(C)nc(C)c1 ZINC001262482839 992888506 /nfs/dbraw/zinc/88/85/06/992888506.db2.gz NPCROQNCYFFYHE-WCQYABFASA-N 0 1 249.310 2.276 20 0 BEADMN C=C/C=C\CCNC(=O)[C@@H](N)c1ccccc1C ZINC001574888970 992938772 /nfs/dbraw/zinc/93/87/72/992938772.db2.gz NCVQIIYRYAIKEZ-WSNITJDQSA-N 0 1 244.338 2.243 20 0 BEADMN CC[C@@H](F)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC001262617130 992969991 /nfs/dbraw/zinc/96/99/91/992969991.db2.gz JVHDGYYKBIYACC-RXMQYKEDSA-N 0 1 235.209 2.342 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)CCC1(C)CC1 ZINC001263165194 993142525 /nfs/dbraw/zinc/14/25/25/993142525.db2.gz UNUQHBLYHRXWRJ-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CC[C@@H](C)C1 ZINC001263440225 993316449 /nfs/dbraw/zinc/31/64/49/993316449.db2.gz NDJSBRXATQJEMQ-APPZFPTMSA-N 0 1 208.261 2.064 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ncc(C)s2)n[nH]1 ZINC000381219020 993378753 /nfs/dbraw/zinc/37/87/53/993378753.db2.gz ILTZQPGMJGMVQV-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN COc1ccnc(N[C@H]2CCO[C@@H](C)C2)c1 ZINC000381570168 993407691 /nfs/dbraw/zinc/40/76/91/993407691.db2.gz WUYFRRIWARSUFK-UWVGGRQHSA-N 0 1 222.288 2.070 20 0 BEADMN CC[C@@H](C)CCCCC(=O)N1CCNC[C@@H]1C ZINC001576984607 993480566 /nfs/dbraw/zinc/48/05/66/993480566.db2.gz KXFDCLKQDWTODN-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN COC(=O)c1coc(CNC/C=C\C2CC2)c1 ZINC000383105597 993480580 /nfs/dbraw/zinc/48/05/80/993480580.db2.gz PIZFGAOEBKMZLS-IHWYPQMZSA-N 0 1 235.283 2.122 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NCc1cc(N)ccn1 ZINC001577043579 993487821 /nfs/dbraw/zinc/48/78/21/993487821.db2.gz JWWODGHARKXUIY-NSHDSACASA-N 0 1 249.358 2.352 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CCC(C)(C)C2)c1C ZINC001263906136 993593466 /nfs/dbraw/zinc/59/34/66/993593466.db2.gz ZROLUONSHNKUEC-LLVKDONJSA-N 0 1 249.358 2.469 20 0 BEADMN CCSC[C@@H](C)[NH2+]Cc1ncccc1[O-] ZINC000389933376 993772135 /nfs/dbraw/zinc/77/21/35/993772135.db2.gz LZCWAIKXQUZVON-SECBINFHSA-N 0 1 226.345 2.018 20 0 BEADMN C[C@]1(CNCc2nccs2)CCCC[C@H]1O ZINC000390425746 993786939 /nfs/dbraw/zinc/78/69/39/993786939.db2.gz MGNQPODTZXKXIF-ZYHUDNBSSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@]1(CNCc2nccs2)CCCC[C@H]1O ZINC000390425745 993787976 /nfs/dbraw/zinc/78/79/76/993787976.db2.gz MGNQPODTZXKXIF-PWSUYJOCSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@]1(CNCc2nccs2)CCCC[C@@H]1O ZINC000390425743 993789708 /nfs/dbraw/zinc/78/97/08/993789708.db2.gz MGNQPODTZXKXIF-CMPLNLGQSA-N 0 1 240.372 2.174 20 0 BEADMN c1cnc(CNCc2ccc3c(c2)CCC3)cn1 ZINC000700450357 993838334 /nfs/dbraw/zinc/83/83/34/993838334.db2.gz AAWJTUNFBZSHAX-UHFFFAOYSA-N 0 1 239.322 2.255 20 0 BEADMN C[C@H](NCc1cc[nH]c(=O)c1)c1ccccn1 ZINC000392789778 993882567 /nfs/dbraw/zinc/88/25/67/993882567.db2.gz KSKKUQBPJSAYHC-JTQLQIEISA-N 0 1 229.283 2.033 20 0 BEADMN C1=CCN(CCN=c2[nH]c3ccccc3s2)C1 ZINC000392950325 993891903 /nfs/dbraw/zinc/89/19/03/993891903.db2.gz WAYLWXDRCVOIBU-UHFFFAOYSA-N 0 1 245.351 2.002 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cccnc2NC)C1 ZINC000701679618 993899141 /nfs/dbraw/zinc/89/91/41/993899141.db2.gz QLRWCMGYHOMKHP-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN CC(C)(C)[C@H](CO)Nc1ccc2c(n1)CCC2 ZINC000393936410 994022286 /nfs/dbraw/zinc/02/22/86/994022286.db2.gz QISOCHGVFLTOIH-LBPRGKRZSA-N 0 1 234.343 2.389 20 0 BEADMN CC1CCN(Cc2cccnc2F)CC1 ZINC000725377845 994104463 /nfs/dbraw/zinc/10/44/63/994104463.db2.gz BTRRZGWMGLIHPL-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN C(=C\C1CC1)\CN[C@H]1CCCn2ccnc21 ZINC001332946417 994407742 /nfs/dbraw/zinc/40/77/42/994407742.db2.gz MGCZGALGBAFWKS-AZEYQONTSA-N 0 1 217.316 2.274 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC001290783030 994559097 /nfs/dbraw/zinc/55/90/97/994559097.db2.gz TYGYAUKIEXGSPH-WCBMZHEXSA-N 0 1 239.294 2.247 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCN(C)[C@H](C)C1)CC ZINC001293396852 994649061 /nfs/dbraw/zinc/64/90/61/994649061.db2.gz VHNSVTOTFYKCFN-PCYXFFJYSA-N 0 1 236.359 2.061 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCN(C)[C@@H](C)C1)CC ZINC001293396849 994651855 /nfs/dbraw/zinc/65/18/55/994651855.db2.gz VHNSVTOTFYKCFN-CVLUBMAASA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@@H](C)[C@H]2C)n[nH]1 ZINC001293919296 994673756 /nfs/dbraw/zinc/67/37/56/994673756.db2.gz PBXUBMDVNQQURD-ZYHUDNBSSA-N 0 1 249.358 2.298 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1c(C)cccc1O ZINC001295508147 994763607 /nfs/dbraw/zinc/76/36/07/994763607.db2.gz DQUGETCNMAILJN-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(O)c(C)cc1C ZINC001296084991 994797384 /nfs/dbraw/zinc/79/73/84/994797384.db2.gz PWMQHSOVCCSSCH-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001296701597 994826532 /nfs/dbraw/zinc/82/65/32/994826532.db2.gz OXOYEBAINIUQIW-YNEHKIRRSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@H]1C ZINC001296701597 994826536 /nfs/dbraw/zinc/82/65/36/994826536.db2.gz OXOYEBAINIUQIW-YNEHKIRRSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H]1C ZINC001296701595 994829202 /nfs/dbraw/zinc/82/92/02/994829202.db2.gz OXOYEBAINIUQIW-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1C ZINC001296701595 994829206 /nfs/dbraw/zinc/82/92/06/994829206.db2.gz OXOYEBAINIUQIW-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN COc1cccc(C)c1NC(=O)c1[nH]cnc1C ZINC001297152204 994852980 /nfs/dbraw/zinc/85/29/80/994852980.db2.gz YLNBODFZTWOKFY-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN CC(C)CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001304104559 995187884 /nfs/dbraw/zinc/18/78/84/995187884.db2.gz JLXYDEOMQCRVKP-UHFFFAOYSA-N 0 1 223.320 2.195 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2C[C@@H]2C(C)C)[nH]1 ZINC001304108351 995190594 /nfs/dbraw/zinc/19/05/94/995190594.db2.gz UGRYTYBKDYBLAN-NEPJUHHUSA-N 0 1 249.358 2.441 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1CC=CC1 ZINC001304166041 995196053 /nfs/dbraw/zinc/19/60/53/995196053.db2.gz PPBYANRXJYICPM-UHFFFAOYSA-N 0 1 227.267 2.239 20 0 BEADMN Cc1cc(C[C@H](C)Nc2nnc(C(C)C)o2)[nH]n1 ZINC001337665498 995214326 /nfs/dbraw/zinc/21/43/26/995214326.db2.gz RQALDEOLSNWVPB-QMMMGPOBSA-N 0 1 249.318 2.268 20 0 BEADMN Cc1cccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001307595788 995411756 /nfs/dbraw/zinc/41/17/56/995411756.db2.gz FESFXODMPRHYAB-NWDGAFQWSA-N 0 1 238.281 2.477 20 0 BEADMN Cc1ccc([C@@H](C)NCC2=NOCC2)cc1 ZINC001307628943 995421473 /nfs/dbraw/zinc/42/14/73/995421473.db2.gz JHEGZZYPZJVXTL-LLVKDONJSA-N 0 1 218.300 2.422 20 0 BEADMN CC(=O)CN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308148315 995569363 /nfs/dbraw/zinc/56/93/63/995569363.db2.gz BVJOKVFWDWWBPE-CQSZACIVSA-N 0 1 247.338 2.378 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593719170 996242605 /nfs/dbraw/zinc/24/26/05/996242605.db2.gz ACOQSRSLMSADHZ-SDDRHHMPSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CC1CCC1 ZINC001593723833 996260948 /nfs/dbraw/zinc/26/09/48/996260948.db2.gz AHXBHBOATYZXBH-MRVPVSSYSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CC(C)(C)C ZINC001593724348 996265669 /nfs/dbraw/zinc/26/56/69/996265669.db2.gz FMTNJQBAPSBOTR-QMMMGPOBSA-N 0 1 240.303 2.412 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCCCC1 ZINC001593737910 996341476 /nfs/dbraw/zinc/34/14/76/996341476.db2.gz UMTUVRPVTXEMSD-QMMMGPOBSA-N 0 1 240.328 2.388 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCCCC1 ZINC001593737909 996341695 /nfs/dbraw/zinc/34/16/95/996341695.db2.gz UMTUVRPVTXEMSD-MRVPVSSYSA-N 0 1 240.328 2.388 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001594044974 997694120 /nfs/dbraw/zinc/69/41/20/997694120.db2.gz JUOCXAMBQVKSED-LLVKDONJSA-N 0 1 229.295 2.065 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC001594045375 997701918 /nfs/dbraw/zinc/70/19/18/997701918.db2.gz UVOOFUOLXAMECV-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC001594045375 997701920 /nfs/dbraw/zinc/70/19/20/997701920.db2.gz UVOOFUOLXAMECV-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC001594231395 998879598 /nfs/dbraw/zinc/87/95/98/998879598.db2.gz SZDBJCFTJLEKLM-YUMQZZPRSA-N 0 1 240.328 2.072 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001594370069 999393383 /nfs/dbraw/zinc/39/33/83/999393383.db2.gz GGIBMAQLTSMNPS-SNVBAGLBSA-N 0 1 236.315 2.335 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])[nH]2)CC[C@@H]1C ZINC001594423904 999585164 /nfs/dbraw/zinc/58/51/64/999585164.db2.gz KVFYYTNISIISNK-UWVGGRQHSA-N 0 1 236.315 2.191 20 0 BEADMN Cc1cc(CNc2ccc3nc[nH]c3c2)on1 ZINC001620931009 1170168907 /nfs/dbraw/zinc/16/89/07/1170168907.db2.gz BETXNMIMKDGJSV-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN OCc1cc2cc(NCc3cnc[nH]3)ccc2o1 ZINC001620992646 1170180105 /nfs/dbraw/zinc/18/01/05/1170180105.db2.gz SANNQZPUVWTAQM-UHFFFAOYSA-N 0 1 243.266 2.260 20 0 BEADMN O=C([O-])c1ccc(C[NH+]2CC(CC(F)F)C2)o1 ZINC001608880996 1170206553 /nfs/dbraw/zinc/20/65/53/1170206553.db2.gz ALTQHRBOFPQZBT-UHFFFAOYSA-N 0 1 245.225 2.065 20 0 BEADMN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C(C)(C)C ZINC001609225562 1170242253 /nfs/dbraw/zinc/24/22/53/1170242253.db2.gz OUSIRNJIOHGFRI-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001609225562 1170242267 /nfs/dbraw/zinc/24/22/67/1170242267.db2.gz OUSIRNJIOHGFRI-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C(C)(C)C ZINC001609225562 1170242273 /nfs/dbraw/zinc/24/22/73/1170242273.db2.gz OUSIRNJIOHGFRI-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CC1=C[C@@H](C)C[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC001609828622 1170296988 /nfs/dbraw/zinc/29/69/88/1170296988.db2.gz JNHNJIFBWCMPTB-MFKMUULPSA-N 0 1 246.310 2.105 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1C ZINC001609869404 1170303175 /nfs/dbraw/zinc/30/31/75/1170303175.db2.gz YCHXFXLHAXSHNL-KBVBSXBZSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC001609885398 1170310292 /nfs/dbraw/zinc/31/02/92/1170310292.db2.gz NRNGBDCKHUBZBN-LLVKDONJSA-N 0 1 248.326 2.120 20 0 BEADMN CCCC[N@@H+](CC)Cc1cc(C(=O)[O-])n(C)c1 ZINC001609969565 1170331834 /nfs/dbraw/zinc/33/18/34/1170331834.db2.gz JYVLSGYAZMSERY-UHFFFAOYSA-N 0 1 238.331 2.345 20 0 BEADMN CCCC[C@H](SC[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC001609967207 1170331631 /nfs/dbraw/zinc/33/16/31/1170331631.db2.gz NSXSRLMKPHWMRQ-MNOVXSKESA-N 0 1 245.388 2.315 20 0 BEADMN C[N@@H+]([C@H]1C=CCCC1)C(C)(C)CC(=O)[O-] ZINC001610107472 1170348500 /nfs/dbraw/zinc/34/85/00/1170348500.db2.gz YMZWLVYHBLMVNZ-JTQLQIEISA-N 0 1 211.305 2.280 20 0 BEADMN Cc1ccoc1C[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001610537530 1170384533 /nfs/dbraw/zinc/38/45/33/1170384533.db2.gz VKYKXWMNKUNJBC-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN O=C([O-])[C@H](c1cccnc1)[N@H+]1CCC2(CCC2)C1 ZINC001610725043 1170408769 /nfs/dbraw/zinc/40/87/69/1170408769.db2.gz KDCGESPRLJELEC-LBPRGKRZSA-N 0 1 246.310 2.083 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(F)ccc1O ZINC001610905261 1170422859 /nfs/dbraw/zinc/42/28/59/1170422859.db2.gz CSXBYRDEUATISW-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1cccc(Cl)c1 ZINC001613520112 1170477151 /nfs/dbraw/zinc/47/71/51/1170477151.db2.gz DBDXWQYNQRZWCD-VIFPVBQESA-N 0 1 240.715 2.306 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001616464804 1170556580 /nfs/dbraw/zinc/55/65/80/1170556580.db2.gz CBCLQVVEBNDJPI-NEPJUHHUSA-N 0 1 238.281 2.477 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](CC)[C@@H]2C)n[nH]1 ZINC001616975372 1170574301 /nfs/dbraw/zinc/57/43/01/1170574301.db2.gz QJVKNBGMNUTKMM-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC[C@@H]2C)n[nH]1 ZINC001618149671 1170618942 /nfs/dbraw/zinc/61/89/42/1170618942.db2.gz HXHVRRJLAFHMRO-NSHDSACASA-N 0 1 235.331 2.052 20 0 BEADMN O=C(NC1CCCCCCC1)c1cnncc1O ZINC001618260717 1170625625 /nfs/dbraw/zinc/62/56/25/1170625625.db2.gz HIJRFELNYJEIBW-UHFFFAOYSA-N 0 1 249.314 2.025 20 0 BEADMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1[C@H]1C=CCCC1 ZINC001618874300 1170653366 /nfs/dbraw/zinc/65/33/66/1170653366.db2.gz UJJJIKPKQBVXCW-XQHKEYJVSA-N 0 1 236.359 2.035 20 0 BEADMN Cc1cc(CNCc2cccnc2)cnc1F ZINC001620696525 1170705896 /nfs/dbraw/zinc/70/58/96/1170705896.db2.gz BAQJKVWCJOJFGH-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN c1cc(CNCc2cnc3cnccn23)cs1 ZINC001620721752 1170707396 /nfs/dbraw/zinc/70/73/96/1170707396.db2.gz GWGMZEOPHZZTGQ-UHFFFAOYSA-N 0 1 244.323 2.081 20 0 BEADMN c1cc(CNCc2ccc3nonc3c2)co1 ZINC001621097312 1170713295 /nfs/dbraw/zinc/71/32/95/1170713295.db2.gz YHXZSKTVUYPXJV-UHFFFAOYSA-N 0 1 229.239 2.106 20 0 BEADMN Nc1c(F)cccc1CNC/C=C\Cl ZINC001621096363 1170714368 /nfs/dbraw/zinc/71/43/68/1170714368.db2.gz NEAYJQAFOTWORQ-DJWKRKHSSA-N 0 1 214.671 2.250 20 0 BEADMN Cc1c[nH]nc1CNC[C@H]1OCc2ccccc21 ZINC001621105134 1170717076 /nfs/dbraw/zinc/71/70/76/1170717076.db2.gz JADWWDBZZNAYSO-CQSZACIVSA-N 0 1 243.310 2.079 20 0 BEADMN CN(Cc1cn(C2CC2)cn1)C[C@@H]1CCCOC1 ZINC001621140770 1170724369 /nfs/dbraw/zinc/72/43/69/1170724369.db2.gz BSFSDJIHFYTTFA-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nc(CO)cs1 ZINC001621169439 1170731484 /nfs/dbraw/zinc/73/14/84/1170731484.db2.gz JVDYVLSKRVKGQY-VIFPVBQESA-N 0 1 228.361 2.112 20 0 BEADMN O=c1[nH]c2ccc(CN3CC4(CCC4)C3)cc2[nH]1 ZINC001621380973 1170788492 /nfs/dbraw/zinc/78/84/92/1170788492.db2.gz LRKYAEPJNPTNJA-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CC[C@@H](NCc1ncccc1F)[C@H](O)C(C)C ZINC001621392732 1170791941 /nfs/dbraw/zinc/79/19/41/1170791941.db2.gz CDZRIZUZVQKIMW-DGCLKSJQSA-N 0 1 240.322 2.106 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1ncccc1F ZINC001621422845 1170805000 /nfs/dbraw/zinc/80/50/00/1170805000.db2.gz FLYDZHDCWUCYAF-ZWNOBZJWSA-N 0 1 240.322 2.107 20 0 BEADMN COC(=O)c1cc(C)cc(NCc2cnc[nH]2)c1 ZINC001621545183 1170841150 /nfs/dbraw/zinc/84/11/50/1170841150.db2.gz OIHAYTUXHDEFNY-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN c1[nH]nc2cc(NC3CCOCC3)ccc12 ZINC000037134157 1170933890 /nfs/dbraw/zinc/93/38/90/1170933890.db2.gz DYMDFPLQOLGHFN-UHFFFAOYSA-N 0 1 217.272 2.154 20 0 BEADMN CCc1nc[nH]c1C(=O)Oc1ccccc1OC ZINC001624561806 1171043803 /nfs/dbraw/zinc/04/38/03/1171043803.db2.gz KCAJARXZJGNJCT-UHFFFAOYSA-N 0 1 246.266 2.200 20 0 BEADMN Cc1ccc2nc(-c3cnn(C)c3)[nH]c2c1 ZINC000041043064 1171162643 /nfs/dbraw/zinc/16/26/43/1171162643.db2.gz PVYQUFLDQPLGSD-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC(C)CN(CC(=O)OC(C)C)C1CC1 ZINC000042249944 1171215454 /nfs/dbraw/zinc/21/54/54/1171215454.db2.gz HCGGTMJPIDFTBQ-UHFFFAOYSA-N 0 1 213.321 2.058 20 0 BEADMN CSc1ccc(NC(=O)c2[nH]cnc2C)nc1 ZINC001628961775 1171274365 /nfs/dbraw/zinc/27/43/65/1171274365.db2.gz PBYFTSFXEYUMIN-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000043640904 1171313094 /nfs/dbraw/zinc/31/30/94/1171313094.db2.gz JSJVQICKBUCVLC-OUAUKWLOSA-N 0 1 213.321 2.058 20 0 BEADMN CCC1CCC(N(C)[C@@H](C)C(=O)OC)CC1 ZINC000043628934 1171312968 /nfs/dbraw/zinc/31/29/68/1171312968.db2.gz PFEWQIXZKSECJB-UNXYVOJBSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001629881166 1171353037 /nfs/dbraw/zinc/35/30/37/1171353037.db2.gz CYKLODYDHCPTQN-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccncc2)cn1 ZINC000044495286 1171385887 /nfs/dbraw/zinc/38/58/87/1171385887.db2.gz LASRAUCKNLWNMA-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN C=C/C=C\CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001630640667 1171411590 /nfs/dbraw/zinc/41/15/90/1171411590.db2.gz OYRSHAVWOHCKNF-ARJAWSKDSA-N 0 1 228.255 2.029 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2c(C)cccc2O)[nH]1 ZINC001631408266 1171454001 /nfs/dbraw/zinc/45/40/01/1171454001.db2.gz REYCMJJKJPMYCY-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1nocc1NC(=O)c1cccc2nc[nH]c21 ZINC001631755539 1171473152 /nfs/dbraw/zinc/47/31/52/1171473152.db2.gz AEPYHLFQJXPVMA-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CSc1cccnc1NC(=O)c1conc1C ZINC001632011953 1171488984 /nfs/dbraw/zinc/48/89/84/1171488984.db2.gz CBKNGNGERFQSGY-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)CCc1cc(C)[nH]n1 ZINC001632736155 1171531981 /nfs/dbraw/zinc/53/19/81/1171531981.db2.gz MSTMOOVMJQWUOO-LLVKDONJSA-N 0 1 237.347 2.298 20 0 BEADMN Cc1ccc(OC[C@H](C)NCc2ncc[nH]2)cc1 ZINC000049715641 1171724977 /nfs/dbraw/zinc/72/49/77/1171724977.db2.gz RHIZOVKSCOMSRY-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CCCCN(CC(=O)OCC)[C@@H](C)CC ZINC000049800948 1171727282 /nfs/dbraw/zinc/72/72/82/1171727282.db2.gz DLWLIZNQWMGOBQ-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H](C)[C@H](C)CC)[nH]1 ZINC001635610305 1171744135 /nfs/dbraw/zinc/74/41/35/1171744135.db2.gz GTTRTZRBPIGHBQ-ZJUUUORDSA-N 0 1 237.347 2.271 20 0 BEADMN CCc1ncc(CNC(=O)C2=CCCCCC2)[nH]1 ZINC001635610979 1171743224 /nfs/dbraw/zinc/74/32/24/1171743224.db2.gz ZGXDDQMIZVFBHY-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CC/C=C(/F)C(=O)NCc1ccc2nc[nH]c2c1 ZINC001636044733 1171791866 /nfs/dbraw/zinc/79/18/66/1171791866.db2.gz ZSIGAVKCOGCZQQ-XCVCLJGOSA-N 0 1 247.273 2.443 20 0 BEADMN CC1(C(=O)Nc2ccc3cncn3c2)CC1 ZINC001636202325 1171809147 /nfs/dbraw/zinc/80/91/47/1171809147.db2.gz HVPFKYCAKHYEJH-UHFFFAOYSA-N 0 1 215.256 2.073 20 0 BEADMN CS[C@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001636203757 1171809249 /nfs/dbraw/zinc/80/92/49/1171809249.db2.gz SEXXLBIQJHHASF-MRVPVSSYSA-N 0 1 235.312 2.024 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1(C2CC2)CC1 ZINC001636208353 1171812697 /nfs/dbraw/zinc/81/26/97/1171812697.db2.gz XAVUHRUAGOPIJO-UHFFFAOYSA-N 0 1 241.294 2.463 20 0 BEADMN CN[C@H](C)c1nnc(-c2cccc(OC)c2)o1 ZINC000050618638 1171821458 /nfs/dbraw/zinc/82/14/58/1171821458.db2.gz CULMQKNROSVFOQ-MRVPVSSYSA-N 0 1 233.271 2.026 20 0 BEADMN C[C@@](O)(CN1CCOCC1(C)C)c1ccccc1 ZINC000052097172 1171940431 /nfs/dbraw/zinc/94/04/31/1171940431.db2.gz BQXMEHXRZJSKGU-OAHLLOKOSA-N 0 1 249.354 2.005 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340523750 398136940 /nfs/dbraw/zinc/13/69/40/398136940.db2.gz PPRZSBWLVNLCNE-WOPDTQHZSA-N 0 1 237.322 2.278 20 0 BEADMN CC(C)COCCN(C)Cc1ccoc1 ZINC000336694539 187320918 /nfs/dbraw/zinc/32/09/18/187320918.db2.gz FEPSIHFWXTXCNC-UHFFFAOYSA-N 0 1 211.305 2.384 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCC23CC3)c1C ZINC000629834731 361734119 /nfs/dbraw/zinc/73/41/19/361734119.db2.gz OYFZWJJQVNVMCV-NSHDSACASA-N 0 1 247.342 2.337 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccco1)[C@@H](O)C(F)F ZINC000296629056 398139983 /nfs/dbraw/zinc/13/99/83/398139983.db2.gz XITQMPAFXJCKRO-OYNCUSHFSA-N 0 1 233.258 2.335 20 0 BEADMN Cc1cc(C2CCN(C(=O)C(C)C)CC2)n[nH]1 ZINC000272039056 177950704 /nfs/dbraw/zinc/95/07/04/177950704.db2.gz CICHSLQVAZUEIV-UHFFFAOYSA-N 0 1 235.331 2.080 20 0 BEADMN CCC(CC)(CNCc1cscn1)OC ZINC000291662090 168325179 /nfs/dbraw/zinc/32/51/79/168325179.db2.gz FETHINDNGXFOLR-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN CC(C)CC1(CNC(=O)CN(C)C)CCCC1 ZINC000153095287 136212672 /nfs/dbraw/zinc/21/26/72/136212672.db2.gz AFVFVMZFGSLHMK-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCCCC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062876761 349494410 /nfs/dbraw/zinc/49/44/10/349494410.db2.gz WAALFYCQLUXBKZ-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000063067563 349506061 /nfs/dbraw/zinc/50/60/61/349506061.db2.gz MOULKANLIAPBIP-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000301002712 349508844 /nfs/dbraw/zinc/50/88/44/349508844.db2.gz WCDJOVFMRDCREI-VIFPVBQESA-N 0 1 235.274 2.217 20 0 BEADMN CCOC1(C)CCN(Cc2cc(C)no2)CC1 ZINC000336723480 187322850 /nfs/dbraw/zinc/32/28/50/187322850.db2.gz UCQRTWFAUHDIOH-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1c(Cl)c(CNCC[C@H](C)F)nn1C ZINC000421377141 192322702 /nfs/dbraw/zinc/32/27/02/192322702.db2.gz FSMAQWAUDYACNK-ZETCQYMHSA-N 0 1 233.718 2.220 20 0 BEADMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1F ZINC000229883513 187324362 /nfs/dbraw/zinc/32/43/62/187324362.db2.gz DIIPEMYMOWCTLR-VIFPVBQESA-N 0 1 249.289 2.408 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H](C)C(F)F)CCO1 ZINC000389940686 398153168 /nfs/dbraw/zinc/15/31/68/398153168.db2.gz QHDBYMFSSPFKKC-IWSPIJDZSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@@H](O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000649338817 398155632 /nfs/dbraw/zinc/15/56/32/398155632.db2.gz YXYURYXAKQIEBT-ZWNOBZJWSA-N 0 1 223.291 2.343 20 0 BEADMN Cc1cc(CNCC2(O)CCCCCC2)no1 ZINC000044424952 178020308 /nfs/dbraw/zinc/02/03/08/178020308.db2.gz HZFJKNRXVFYAFH-UHFFFAOYSA-N 0 1 238.331 2.158 20 0 BEADMN Cc1cc(CNCc2c[nH]nc2C)cs1 ZINC000292745898 178024147 /nfs/dbraw/zinc/02/41/47/178024147.db2.gz REFGPYDABCCXTD-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN Cc1cc(CNCc2cc(F)ccc2C)n(C)n1 ZINC000283952784 178025379 /nfs/dbraw/zinc/02/53/79/178025379.db2.gz MPSXTJHVMZQSRS-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)on1 ZINC000649901784 398173196 /nfs/dbraw/zinc/17/31/96/398173196.db2.gz RFIVBPBPLQOJAS-SNVBAGLBSA-N 0 1 228.242 2.214 20 0 BEADMN Cc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)no1 ZINC000368621699 178041079 /nfs/dbraw/zinc/04/10/79/178041079.db2.gz KGROFRMTHQPREU-QWHCGFSZSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000177145651 136216777 /nfs/dbraw/zinc/21/67/77/136216777.db2.gz IQNDRTCZWZBLSD-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C2=CCCCC2)n[nH]1 ZINC000188538531 178056299 /nfs/dbraw/zinc/05/62/99/178056299.db2.gz UOMRYEZAEDNWFI-JTQLQIEISA-N 0 1 247.342 2.266 20 0 BEADMN Cc1cc(C[C@H](C)N[C@H](C)c2cc(C)on2)[nH]n1 ZINC000290646276 178057623 /nfs/dbraw/zinc/05/76/23/178057623.db2.gz JTYGCYRNFDNRTA-GZMMTYOYSA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(C[C@H](C)N[C@H](C)c2cc(C)on2)n[nH]1 ZINC000290646276 178057624 /nfs/dbraw/zinc/05/76/24/178057624.db2.gz JTYGCYRNFDNRTA-GZMMTYOYSA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cccnc1-c1nc2cccnc2c(=O)[nH]1 ZINC000491597041 538921386 /nfs/dbraw/zinc/92/13/86/538921386.db2.gz QPNSRGRGTSUGDJ-UHFFFAOYSA-N 0 1 238.250 2.101 20 0 BEADMN Cc1cc(C[C@H](C)N[C@@H](C)c2cc(C)on2)[nH]n1 ZINC000290646281 178058712 /nfs/dbraw/zinc/05/87/12/178058712.db2.gz JTYGCYRNFDNRTA-KWQFWETISA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(C[C@H](C)N[C@@H](C)c2cc(C)on2)n[nH]1 ZINC000290646281 178058713 /nfs/dbraw/zinc/05/87/13/178058713.db2.gz JTYGCYRNFDNRTA-KWQFWETISA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(Cl)ccc1C[N@@H+](C)CC(=O)[O-] ZINC000234277839 178066974 /nfs/dbraw/zinc/06/69/74/178066974.db2.gz QBNNYFAIWWDBJW-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN COC(C)(C)CN(C)Cc1cn2ccccc2n1 ZINC000533345161 398186542 /nfs/dbraw/zinc/18/65/42/398186542.db2.gz NOKPYCJBNDUAKR-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@](C)(CC)C1 ZINC000344240351 398188666 /nfs/dbraw/zinc/18/86/66/398188666.db2.gz CSWTUMXGDDJBHE-CMPLNLGQSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)N(C)C)c1 ZINC000429290038 192027492 /nfs/dbraw/zinc/02/74/92/192027492.db2.gz DDYDNKWTKOZGQO-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN Cc1cc(F)ccc1CNCc1ccnn1C ZINC000071138210 178087355 /nfs/dbraw/zinc/08/73/55/178087355.db2.gz GEPFGDCWSLLEID-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1noc(C)c1C[N@@H+](C)CCc1ccccn1 ZINC000072948382 398190630 /nfs/dbraw/zinc/19/06/30/398190630.db2.gz GHJWMYMDWDTBSM-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN Cc1noc(C)c1CN(C)CCc1ccccn1 ZINC000072948382 398190632 /nfs/dbraw/zinc/19/06/32/398190632.db2.gz GHJWMYMDWDTBSM-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN C[C@H]1CCN(Cc2ccnc(C#N)c2)CCS1 ZINC000380371003 398191809 /nfs/dbraw/zinc/19/18/09/398191809.db2.gz CLCQMMQZSGUEJN-NSHDSACASA-N 0 1 247.367 2.281 20 0 BEADMN CCc1cc(NC(=O)c2c(O)cccc2F)n[nH]1 ZINC000162581838 538923491 /nfs/dbraw/zinc/92/34/91/538923491.db2.gz HKRIHWKIXMQCIV-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN CC(C)(C)C1=CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000270447759 538922165 /nfs/dbraw/zinc/92/21/65/538922165.db2.gz MLYXITIGEDAISE-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN CC1(C)CN(CCCCCF)[C@@H]2COC[C@H]2O1 ZINC000649913492 398185277 /nfs/dbraw/zinc/18/52/77/398185277.db2.gz MCWIVXWIDMJVPP-VXGBXAGGSA-N 0 1 245.338 2.004 20 0 BEADMN COCC1(N(C)Cc2cccc(C)n2)CC1 ZINC000649400428 398203097 /nfs/dbraw/zinc/20/30/97/398203097.db2.gz UWIZKKUGEUDNEV-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1nnc([C@H](C)NCCCOC(C)C)s1 ZINC000336750873 398203361 /nfs/dbraw/zinc/20/33/61/398203361.db2.gz VBYPUBRMHDXQSJ-VIFPVBQESA-N 0 1 243.376 2.312 20 0 BEADMN CCOC1CC(NCc2csc(C)n2)C1 ZINC000162843549 538925361 /nfs/dbraw/zinc/92/53/61/538925361.db2.gz LFZLVOLZXBGMLH-UHFFFAOYSA-N 0 1 226.345 2.109 20 0 BEADMN CCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000074819829 398209480 /nfs/dbraw/zinc/20/94/80/398209480.db2.gz ZOHAZEXNCAJECS-UHFFFAOYSA-N 0 1 203.245 2.302 20 0 BEADMN CN(C)CC(=O)N1CCCC[C@H]1c1ccccc1 ZINC000273945882 538928533 /nfs/dbraw/zinc/92/85/33/538928533.db2.gz DWUVIADGZMFARK-AWEZNQCLSA-N 0 1 246.354 2.302 20 0 BEADMN CC[C@@H](CC(=O)NCc1cnc[nH]1)C(C)C ZINC000331089789 398217695 /nfs/dbraw/zinc/21/76/95/398217695.db2.gz UNCOQGLZCNLRFV-JTQLQIEISA-N 0 1 223.320 2.098 20 0 BEADMN Cc1cc(NC(=O)c2cn[nH]c2C(C)C)ccn1 ZINC000193371552 178151171 /nfs/dbraw/zinc/15/11/71/178151171.db2.gz KJPKOCIHHJYYOK-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356842821 168343730 /nfs/dbraw/zinc/34/37/30/168343730.db2.gz HJTWEVBFVDQYTL-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc(N2CC[C@@](C(=O)[O-])(C(C)C)C2)[nH+]1 ZINC000576403083 365586900 /nfs/dbraw/zinc/58/69/00/365586900.db2.gz PMFKRWSFAQTRIO-AWEZNQCLSA-N 0 1 248.326 2.327 20 0 BEADMN CC(C)[C@H](CO)[C@@H](NCC(F)F)C(C)C ZINC000650026849 398222386 /nfs/dbraw/zinc/22/23/86/398222386.db2.gz ALIWSXCRDCRHML-ONGXEEELSA-N 0 1 223.307 2.130 20 0 BEADMN CC(C)[N@@H+](CCCCO)Cc1ccco1 ZINC000263994932 187331631 /nfs/dbraw/zinc/33/16/31/187331631.db2.gz LRRIJHOFNHHFED-UHFFFAOYSA-N 0 1 211.305 2.263 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)c2cnc[nH]2)CC1 ZINC000265159245 187332381 /nfs/dbraw/zinc/33/23/81/187332381.db2.gz MNXLJTIMIOERCG-LLVKDONJSA-N 0 1 235.331 2.308 20 0 BEADMN CC[C@@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000020196172 538931144 /nfs/dbraw/zinc/93/11/44/538931144.db2.gz IQAQLTYHOCFMFS-XCBNKYQSSA-N 0 1 228.361 2.181 20 0 BEADMN CC1(CO)CN(Cc2cccc(C3CC3)c2)C1 ZINC000421389146 192326565 /nfs/dbraw/zinc/32/65/65/192326565.db2.gz WTKOEEDSFMKPNM-UHFFFAOYSA-N 0 1 231.339 2.378 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CCCC3(CC3)C2)n1 ZINC000192789482 178202430 /nfs/dbraw/zinc/20/24/30/178202430.db2.gz VNFBCNQEUCPDFS-NSHDSACASA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000370501485 178203710 /nfs/dbraw/zinc/20/37/10/178203710.db2.gz WNPPQTRMBFQHFZ-CMPLNLGQSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000370501485 178203712 /nfs/dbraw/zinc/20/37/12/178203712.db2.gz WNPPQTRMBFQHFZ-CMPLNLGQSA-N 0 1 247.342 2.284 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000629882974 361753931 /nfs/dbraw/zinc/75/39/31/361753931.db2.gz RCBHVJNIAPTEGN-KXMPLOMGSA-N 0 1 233.315 2.228 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2CCCc3cn[nH]c32)no1 ZINC000285316709 178233405 /nfs/dbraw/zinc/23/34/05/178233405.db2.gz SVUKLVXVIZDLGU-KOLCDFICSA-N 0 1 246.314 2.434 20 0 BEADMN CC(C)n1ccc(CN2CCC[C@@H]2C)n1 ZINC000076115468 398232209 /nfs/dbraw/zinc/23/22/09/398232209.db2.gz LCNBBYFQUKXEEI-NSHDSACASA-N 0 1 207.321 2.448 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000334195701 136224127 /nfs/dbraw/zinc/22/41/27/136224127.db2.gz KUHVLLSELHREQI-ZDUSSCGKSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1cc([C@@H](C)NC2CC(C)(F)C2)nn1C ZINC000334518889 178221969 /nfs/dbraw/zinc/22/19/69/178221969.db2.gz DFUBFQNWMPRYBA-GRZMOONWSA-N 0 1 225.311 2.270 20 0 BEADMN Cc1cc([C@@H](C)NCCCCF)no1 ZINC000308652218 178224448 /nfs/dbraw/zinc/22/44/48/178224448.db2.gz LJTLORXJRCNFQM-SECBINFHSA-N 0 1 200.257 2.383 20 0 BEADMN Cc1cc([C@@H](C)NCc2nnc[nH]2)c(C)s1 ZINC000037919508 178229336 /nfs/dbraw/zinc/22/93/36/178229336.db2.gz AANACZHRIARKLG-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc([C@@H](C)NC[C@]2(C)CCCO2)no1 ZINC000336730423 178229735 /nfs/dbraw/zinc/22/97/35/178229735.db2.gz DPMYFPDLFRMWPL-PWSUYJOCSA-N 0 1 224.304 2.203 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CCOC2(C)C)no1 ZINC000296304370 178230761 /nfs/dbraw/zinc/23/07/61/178230761.db2.gz GAKAOIXDULCNGA-MWLCHTKSSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc(CNCc2cccnc2)cc(C)n1 ZINC000421370787 192335923 /nfs/dbraw/zinc/33/59/23/192335923.db2.gz DABGEFZGXBFODM-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC000280187372 538936425 /nfs/dbraw/zinc/93/64/25/538936425.db2.gz PWGNAWUTXHRFHW-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)OCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000118414186 398235146 /nfs/dbraw/zinc/23/51/46/398235146.db2.gz CJYPHWNLPHJBSZ-MNOVXSKESA-N 0 1 217.378 2.237 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCCCCO)no1 ZINC000362948917 178241272 /nfs/dbraw/zinc/24/12/72/178241272.db2.gz WKMXQBTVHOXFPK-ZDUSSCGKSA-N 0 1 238.331 2.283 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC000280313630 538937324 /nfs/dbraw/zinc/93/73/24/538937324.db2.gz YQSZDIBEIFPXNP-MNOVXSKESA-N 0 1 237.347 2.283 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC000280313631 538937373 /nfs/dbraw/zinc/93/73/73/538937373.db2.gz YQSZDIBEIFPXNP-QWRGUYRKSA-N 0 1 237.347 2.283 20 0 BEADMN Cc1cccc(CCNCc2cscn2)n1 ZINC000280505920 538937391 /nfs/dbraw/zinc/93/73/91/538937391.db2.gz GMWUBHCPXBWKHC-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CCC[C@@H](O)CN[C@H](C)c1nc(C)cs1 ZINC000649430960 398233704 /nfs/dbraw/zinc/23/37/04/398233704.db2.gz BMXPNFVLZMYPKA-NXEZZACHSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](O)C(F)F)oc1C ZINC000309564122 178249504 /nfs/dbraw/zinc/24/95/04/178249504.db2.gz LUWNCYUFEDTUGZ-IONNQARKSA-N 0 1 233.258 2.173 20 0 BEADMN CCC(CC)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000125066562 168359112 /nfs/dbraw/zinc/35/91/12/168359112.db2.gz ZELRTTSAWXWKBP-OAHLLOKOSA-N 0 1 248.370 2.413 20 0 BEADMN Cc1cc([C@H](C)NC[C@](C)(O)C(C)C)no1 ZINC000309523929 178250793 /nfs/dbraw/zinc/25/07/93/178250793.db2.gz AUCLYFKMSDGKAC-JQWIXIFHSA-N 0 1 226.320 2.041 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCCCN1CC ZINC000104551918 168359370 /nfs/dbraw/zinc/35/93/70/168359370.db2.gz NCSULCXKFZLSKW-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cc([C@H](C)NCc2cn[nH]c2)c(C)o1 ZINC000038006096 178252413 /nfs/dbraw/zinc/25/24/13/178252413.db2.gz JAEZNSPXZFRQJR-VIFPVBQESA-N 0 1 219.288 2.470 20 0 BEADMN Cc1cc([C@H](C)NCc2ccnn2C)c(C)o1 ZINC000044729742 178252655 /nfs/dbraw/zinc/25/26/55/178252655.db2.gz QZCQUQKYXZIUID-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@H](C)C2)no1 ZINC000282831403 178255950 /nfs/dbraw/zinc/25/59/50/178255950.db2.gz ZHTPXNIMHWPWCG-DVVUODLYSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CCO)C(C)(C)C)no1 ZINC000330799351 178257442 /nfs/dbraw/zinc/25/74/42/178257442.db2.gz BXFMGIOYIVOPSB-CMPLNLGQSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CO)CC(C)(C)C)no1 ZINC000330810916 178257562 /nfs/dbraw/zinc/25/75/62/178257562.db2.gz KATYBCUWBOUWKE-QWRGUYRKSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CC2(C)C)nn1C ZINC000282418040 178258665 /nfs/dbraw/zinc/25/86/65/178258665.db2.gz CQAYAUUNQCYVSK-ONGXEEELSA-N 0 1 207.321 2.178 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(C2CC2)cc1 ZINC000094525570 398245258 /nfs/dbraw/zinc/24/52/58/398245258.db2.gz XLYMOQUJSZGFOG-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)C[C@H]1CC ZINC000576495145 365611050 /nfs/dbraw/zinc/61/10/50/365611050.db2.gz LXYIPEVYBKIXPY-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccnc(NC[C@H](O)CC(C)C)c1 ZINC000230147056 136228042 /nfs/dbraw/zinc/22/80/42/136228042.db2.gz HYRVXDMPNUIITH-LLVKDONJSA-N 0 1 208.305 2.209 20 0 BEADMN CC[C@H](C)[C@H](CNCc1nccs1)OC ZINC000381284421 398247668 /nfs/dbraw/zinc/24/76/68/398247668.db2.gz MAXBURYMEMFGBN-UWVGGRQHSA-N 0 1 228.361 2.294 20 0 BEADMN Cc1nnc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000649444191 398246581 /nfs/dbraw/zinc/24/65/81/398246581.db2.gz HMZXWVFLRTUAGA-UHFFFAOYSA-N 0 1 234.206 2.255 20 0 BEADMN CCC(CC)c1cc(CN[C@H](C)[C@@H](C)O)on1 ZINC000576576992 365627009 /nfs/dbraw/zinc/62/70/09/365627009.db2.gz MILOLWYWTGSJLN-NXEZZACHSA-N 0 1 240.347 2.437 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ncc[nH]2)n[nH]1 ZINC000286356777 538943559 /nfs/dbraw/zinc/94/35/59/538943559.db2.gz ZNIHYROCPWNVQN-RKDXNWHRSA-N 0 1 248.334 2.063 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2ncc[nH]2)n[nH]1 ZINC000286356768 538943790 /nfs/dbraw/zinc/94/37/90/538943790.db2.gz ZNIHYROCPWNVQN-DTWKUNHWSA-N 0 1 248.334 2.063 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ncc[nH]1)C(C)(C)C ZINC000286360782 538943962 /nfs/dbraw/zinc/94/39/62/538943962.db2.gz ZDPIKJFQYQGMHN-UWVGGRQHSA-N 0 1 225.336 2.121 20 0 BEADMN Cc1nc([C@H](C)NCC(C)(C)CO)c(C)s1 ZINC000168604662 538945896 /nfs/dbraw/zinc/94/58/96/538945896.db2.gz YNVIVWNGIVEPKZ-QMMMGPOBSA-N 0 1 242.388 2.429 20 0 BEADMN CCCn1ncnc1CN1C[C@@H](C)C[C@H]1CC ZINC000576697042 365660166 /nfs/dbraw/zinc/66/01/66/365660166.db2.gz BUJPSASMWXDUEY-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)N(C(=O)[C@H](C)Cc1cnc[nH]1)C1CCC1 ZINC000576716193 365669416 /nfs/dbraw/zinc/66/94/16/365669416.db2.gz SBVVHXBEYMEMIH-LLVKDONJSA-N 0 1 249.358 2.378 20 0 BEADMN CCOC(=O)CN(CC)CC1CCSCC1 ZINC000602450002 349551026 /nfs/dbraw/zinc/55/10/26/349551026.db2.gz OAPBKXRUYRSSJA-UHFFFAOYSA-N 0 1 245.388 2.015 20 0 BEADMN CO[C@H](CNCc1cc(C)no1)c1ccccc1 ZINC000386121990 398263533 /nfs/dbraw/zinc/26/35/33/398263533.db2.gz WECYQDGZCQAXSE-CQSZACIVSA-N 0 1 246.310 2.460 20 0 BEADMN COC(=O)C[N@@H+](CC1CCSCC1)C(C)C ZINC000602444861 349544967 /nfs/dbraw/zinc/54/49/67/349544967.db2.gz PMEBQVZROXACKL-UHFFFAOYSA-N 0 1 245.388 2.013 20 0 BEADMN COC(=O)c1cc(CN2CCCCC2)[nH]c1C ZINC000602493113 349572148 /nfs/dbraw/zinc/57/21/48/349572148.db2.gz KCAMRBPSASOFSQ-UHFFFAOYSA-N 0 1 236.315 2.096 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cc2[nH]cnc2cc1F ZINC000335111351 136233066 /nfs/dbraw/zinc/23/30/66/136233066.db2.gz GRTUZGCYOAVSQS-YUMQZZPRSA-N 0 1 247.273 2.325 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378771744 346828666 /nfs/dbraw/zinc/82/86/66/346828666.db2.gz CQXLHHSFPKUEAD-JFUSQASVSA-N 0 1 225.311 2.270 20 0 BEADMN CC1(C)C[C@@H](NCc2ccc(Cl)cn2)CO1 ZINC000335130683 136233215 /nfs/dbraw/zinc/23/32/15/136233215.db2.gz GEHPXLDSDHJIND-LLVKDONJSA-N 0 1 240.734 2.392 20 0 BEADMN CO[C@]1(C)C[C@@H](N(C)Cc2cncnc2)C1(C)C ZINC000180251288 538957559 /nfs/dbraw/zinc/95/75/59/538957559.db2.gz ULVPPWPGVWSTSS-TZMCWYRMSA-N 0 1 249.358 2.112 20 0 BEADMN CCC1(CNCC(C)(F)F)CCOCC1 ZINC000378847696 346845430 /nfs/dbraw/zinc/84/54/30/346845430.db2.gz BANOFHDAIANLJS-UHFFFAOYSA-N 0 1 221.291 2.438 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])Cc1ccsc1 ZINC000035719451 538957973 /nfs/dbraw/zinc/95/79/73/538957973.db2.gz KIGBERVQIVLOLT-UHFFFAOYSA-N 0 1 227.329 2.435 20 0 BEADMN CC(F)(F)CN[C@H]1CCC12CCOCC2 ZINC000378862591 346847975 /nfs/dbraw/zinc/84/79/75/346847975.db2.gz TZPCZMUVOGOKKL-VIFPVBQESA-N 0 1 219.275 2.190 20 0 BEADMN Cc1cnc(CN2CC[C@@]3(CCOC3)C2)s1 ZINC000180540644 538958182 /nfs/dbraw/zinc/95/81/82/538958182.db2.gz KJPNUYKCQCCQGR-GFCCVEGCSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000180444186 538958564 /nfs/dbraw/zinc/95/85/64/538958564.db2.gz UAQKSXCEZIJCPM-BDAKNGLRSA-N 0 1 247.346 2.172 20 0 BEADMN CCC1CCN(Cc2cncnc2)CC1 ZINC000205532834 538956186 /nfs/dbraw/zinc/95/61/86/538956186.db2.gz YSBZZLUXZHTJPL-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN1CCS(=O)CC1 ZINC000600118264 342674629 /nfs/dbraw/zinc/67/46/29/342674629.db2.gz UXIBSDJNBOMLGL-OLZOCXBDSA-N 0 1 243.416 2.267 20 0 BEADMN CSCCNCc1cnc(C2CC2)o1 ZINC000600125610 342680892 /nfs/dbraw/zinc/68/08/92/342680892.db2.gz FXLFFXPIXILZEF-UHFFFAOYSA-N 0 1 212.318 2.005 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000385258682 342713846 /nfs/dbraw/zinc/71/38/46/342713846.db2.gz YBJQKULZHPWDEU-GFCCVEGCSA-N 0 1 223.316 2.283 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ccno2)C12CCC2 ZINC000231884457 342741829 /nfs/dbraw/zinc/74/18/29/342741829.db2.gz VUUAMGXFGRECGU-RYUDHWBXSA-N 0 1 236.315 2.112 20 0 BEADMN CCC(CC)NC(=O)[C@@H](N)c1ccccc1C ZINC000294756863 168382956 /nfs/dbraw/zinc/38/29/56/168382956.db2.gz LGZPGSLQYWAVLJ-ZDUSSCGKSA-N 0 1 234.343 2.300 20 0 BEADMN C[C@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649481761 398279942 /nfs/dbraw/zinc/27/99/42/398279942.db2.gz RLZDPFNEDTVQMS-LBPRGKRZSA-N 0 1 233.359 2.451 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000003755741 342737366 /nfs/dbraw/zinc/73/73/66/342737366.db2.gz IHIHMMAIXNLDNB-JTQLQIEISA-N 0 1 225.313 2.187 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)CN(C)C1CCC1 ZINC000630006429 361890654 /nfs/dbraw/zinc/89/06/54/361890654.db2.gz ODPYFBFXZHLNSH-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CN(CC(=O)NCCCC(C)(F)F)C1CCC1 ZINC000629996101 361880429 /nfs/dbraw/zinc/88/04/29/361880429.db2.gz QDCUTJPLEJFERF-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(Cl)o2)C1 ZINC000335609713 136236865 /nfs/dbraw/zinc/23/68/65/136236865.db2.gz FAXNHCDCKFJWSJ-NXEZZACHSA-N 0 1 243.734 2.383 20 0 BEADMN CCN(Cc1snnc1C)CC(C)C ZINC000649486203 398283423 /nfs/dbraw/zinc/28/34/23/398283423.db2.gz BAMZMTXAHNPCRN-UHFFFAOYSA-N 0 1 213.350 2.324 20 0 BEADMN C[C@H]1CN(Cc2cccc(N(C)C)c2)[C@@H](C)CO1 ZINC000607724123 342780656 /nfs/dbraw/zinc/78/06/56/342780656.db2.gz FZMSBMZIQZEMSO-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)CN(C)C1CCC1 ZINC000630005952 361896321 /nfs/dbraw/zinc/89/63/21/361896321.db2.gz DJLCNUDKTHEMFO-DGCLKSJQSA-N 0 1 238.375 2.022 20 0 BEADMN CN(CC(=O)NCCCC1CCC1)C1CCC1 ZINC000630016691 361898414 /nfs/dbraw/zinc/89/84/14/361898414.db2.gz JJQYNSRHQBODPL-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CN(CC(=O)NC(C)(C)C1CCC1)C1CCC1 ZINC000630011837 361898552 /nfs/dbraw/zinc/89/85/52/361898552.db2.gz NWHPJKSZALALES-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000032013868 342797143 /nfs/dbraw/zinc/79/71/43/342797143.db2.gz CGVJHLNFCASELU-UHFFFAOYSA-N 0 1 221.300 2.473 20 0 BEADMN CC(C)CC[N@@H+](C)CCCCC(=O)[O-] ZINC000042457323 538977634 /nfs/dbraw/zinc/97/76/34/538977634.db2.gz BCUPNKJWEFTACW-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1ccc(NC(=O)CCc2cnc[nH]2)c(F)c1 ZINC000188477752 538978964 /nfs/dbraw/zinc/97/89/64/538978964.db2.gz BDNIALPJWRBDTD-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN CC(C)CN(C(=O)c1coc(CN)c1)C(C)C ZINC000187416549 342819452 /nfs/dbraw/zinc/81/94/52/342819452.db2.gz BNSBOUXWHKXPMH-UHFFFAOYSA-N 0 1 238.331 2.245 20 0 BEADMN Cc1cc(CNCc2cccs2)ncn1 ZINC000380207781 538987507 /nfs/dbraw/zinc/98/75/07/538987507.db2.gz XHUHGNQOZBLZAY-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CC(C)Cn1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634584095 342828810 /nfs/dbraw/zinc/82/88/10/342828810.db2.gz RWCKPGSMNWFGLO-NXEZZACHSA-N 0 1 208.305 2.277 20 0 BEADMN CC(C)Cn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634584095 342828812 /nfs/dbraw/zinc/82/88/12/342828812.db2.gz RWCKPGSMNWFGLO-NXEZZACHSA-N 0 1 208.305 2.277 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2cocn2)CS1 ZINC000380255126 538987928 /nfs/dbraw/zinc/98/79/28/538987928.db2.gz QBZBJUVHNTWJIM-KOLCDFICSA-N 0 1 226.345 2.294 20 0 BEADMN Cc1c[nH]nc1C[NH2+]CC1CC(C)(C)C1 ZINC000380344243 538989098 /nfs/dbraw/zinc/98/90/98/538989098.db2.gz SPIRINDMLCXYRP-UHFFFAOYSA-N 0 1 207.321 2.244 20 0 BEADMN Cc1noc(C)c1C[N@@H+]1CCSC[C@H](C)C1 ZINC000190430537 538989406 /nfs/dbraw/zinc/98/94/06/538989406.db2.gz BQNLKBOUQYUOQZ-SECBINFHSA-N 0 1 240.372 2.476 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1ncccn1 ZINC000192015832 538994117 /nfs/dbraw/zinc/99/41/17/538994117.db2.gz PWUDSUMDOKJNIQ-QWRGUYRKSA-N 0 1 205.305 2.240 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000071026385 361931026 /nfs/dbraw/zinc/93/10/26/361931026.db2.gz IFSNBXJMEGDHBR-MRVPVSSYSA-N 0 1 225.313 2.288 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000188814581 538979795 /nfs/dbraw/zinc/97/97/95/538979795.db2.gz GFNONYVDHZFWJX-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN CCc1nn(C)c(CC)c1CN1CC2(CC2)C1 ZINC000449369787 398291506 /nfs/dbraw/zinc/29/15/06/398291506.db2.gz GAUGDAYYRAYDSB-UHFFFAOYSA-N 0 1 233.359 2.141 20 0 BEADMN CCOC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)C(C)C ZINC000189345150 538982149 /nfs/dbraw/zinc/98/21/49/538982149.db2.gz LEZHVAVCUPIDFW-MFKMUULPSA-N 0 1 239.363 2.430 20 0 BEADMN Cc1noc(CNC(C(C)C)C(C)C)n1 ZINC000380045162 538984176 /nfs/dbraw/zinc/98/41/76/538984176.db2.gz VNARGHGTMRYFHL-UHFFFAOYSA-N 0 1 211.309 2.148 20 0 BEADMN CCc1cnc(CN[C@@]2(CC)CCOC2)s1 ZINC000381452157 539000770 /nfs/dbraw/zinc/00/07/70/539000770.db2.gz HUSCNHJPLCLDCM-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1C(=O)c1coc(CN)c1 ZINC000335629206 136241024 /nfs/dbraw/zinc/24/10/24/136241024.db2.gz YJWHJZPQZRANIU-SNVBAGLBSA-N 0 1 248.326 2.143 20 0 BEADMN Cc1cccc(F)c1NC(=O)CCc1cnc[nH]1 ZINC000193760592 539007845 /nfs/dbraw/zinc/00/78/45/539007845.db2.gz ZLICOEZGWBBGKT-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN Cc1cc(NC(=O)CCc2cnc[nH]2)cs1 ZINC000634423997 361945997 /nfs/dbraw/zinc/94/59/97/361945997.db2.gz ICNTUCQGLNZYDH-UHFFFAOYSA-N 0 1 235.312 2.351 20 0 BEADMN C/C=C\CN[C@H](c1nccn1C)C1CC1 ZINC000624198388 342835438 /nfs/dbraw/zinc/83/54/38/342835438.db2.gz NSNVYEUUYDXYOA-BYCRGOAPSA-N 0 1 205.305 2.037 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)Nc1nnc(C)[nH]1 ZINC000330553351 168399492 /nfs/dbraw/zinc/39/94/92/168399492.db2.gz YKVVIGNBNJTYQP-SSDOTTSWSA-N 0 1 224.308 2.124 20 0 BEADMN CCCOc1ncccc1CNC1CSC1 ZINC000381341531 538998775 /nfs/dbraw/zinc/99/87/75/538998775.db2.gz XTODOAYLSDJBCK-UHFFFAOYSA-N 0 1 238.356 2.075 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCCO2)cs1 ZINC000381399471 538999677 /nfs/dbraw/zinc/99/96/77/538999677.db2.gz PSKYKACXADQHRI-CABZTGNLSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1cccc(C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000036885919 398296149 /nfs/dbraw/zinc/29/61/49/398296149.db2.gz MJUOAOONTWMCKN-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN C[C@H](NC(C)(C)C(F)F)[C@@H]1CCCOC1 ZINC000390000157 539020109 /nfs/dbraw/zinc/02/01/09/539020109.db2.gz SHPYMHRKJKFJJV-DTWKUNHWSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1noc([C@@H](C)NCC2CC(C)(C)C2)n1 ZINC000390482803 539022561 /nfs/dbraw/zinc/02/25/61/539022561.db2.gz NKTHZNWRSTUXMH-MRVPVSSYSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](CO)CC2CC2)cs1 ZINC000390609331 539026602 /nfs/dbraw/zinc/02/66/02/539026602.db2.gz DPPVRKFEIYSAHP-LDYMZIIASA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(C)CCC2)[C@@H](C(=O)[O-])C1 ZINC000309733913 342839638 /nfs/dbraw/zinc/83/96/38/342839638.db2.gz FYCIQRZXACJJIF-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@]2(C)CCCO2)s1 ZINC000309737540 342839865 /nfs/dbraw/zinc/83/98/65/342839865.db2.gz CQJCRKPBZRINKK-JQWIXIFHSA-N 0 1 240.372 2.499 20 0 BEADMN COCc1ccc(SCc2c[nH]nn2)cc1 ZINC000649500266 398297938 /nfs/dbraw/zinc/29/79/38/398297938.db2.gz CVVMJZUJIMCIME-UHFFFAOYSA-N 0 1 235.312 2.243 20 0 BEADMN C[C@@H]1COCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000389694955 539017176 /nfs/dbraw/zinc/01/71/76/539017176.db2.gz IPXOWESINQCPOH-OPRDCNLKSA-N 0 1 219.275 2.189 20 0 BEADMN C[C@@H]1COCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000389694958 539017313 /nfs/dbraw/zinc/01/73/13/539017313.db2.gz IPXOWESINQCPOH-UTLUCORTSA-N 0 1 219.275 2.189 20 0 BEADMN CCc1cnc(CNCCOC(C)C)s1 ZINC000389845861 539018075 /nfs/dbraw/zinc/01/80/75/539018075.db2.gz NWFJUFJWJCSWNA-UHFFFAOYSA-N 0 1 228.361 2.220 20 0 BEADMN Cc1cc(CNCc2ncc(Cl)s2)n[nH]1 ZINC000389860427 539018138 /nfs/dbraw/zinc/01/81/38/539018138.db2.gz DDQQZVMENZYIJO-UHFFFAOYSA-N 0 1 242.735 2.118 20 0 BEADMN C[C@@H]1[C@H](O)CCN1c1ccnc2ccccc21 ZINC000649501285 398299226 /nfs/dbraw/zinc/29/92/26/398299226.db2.gz DEACSPLHHMAKMK-QMTHXVAHSA-N 0 1 228.295 2.194 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@H]2C(C)C)s1 ZINC000389978027 539019229 /nfs/dbraw/zinc/01/92/29/539019229.db2.gz GTEZUGHRITWESP-UWVGGRQHSA-N 0 1 225.361 2.371 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)CC(C)(C)C ZINC000649505478 398300369 /nfs/dbraw/zinc/30/03/69/398300369.db2.gz LYOSCWOYMPOYAO-UHFFFAOYSA-N 0 1 221.348 2.307 20 0 BEADMN Cc1ccc(C(C)(C)NCc2cncn2C)cn1 ZINC000353129743 178452770 /nfs/dbraw/zinc/45/27/70/178452770.db2.gz NFOZYHMBJGABRT-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN C[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625063072 342847629 /nfs/dbraw/zinc/84/76/29/342847629.db2.gz HCYHFRUWAVXVFN-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CCCCN1CC(=O)NCC(C)(C)C ZINC000625063072 342847630 /nfs/dbraw/zinc/84/76/30/342847630.db2.gz HCYHFRUWAVXVFN-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H]1CCCN(Cc2cncc(OC)n2)C1 ZINC000625061261 342847643 /nfs/dbraw/zinc/84/76/43/342847643.db2.gz NFNVTGNKFWWUKP-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CCCN(CCO)Cc1cc(O)ccc1Cl ZINC000625078366 342849598 /nfs/dbraw/zinc/84/95/98/342849598.db2.gz NMURBDSMALXFFW-UHFFFAOYSA-N 0 1 243.734 2.250 20 0 BEADMN CC1(C)CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000134432681 342853184 /nfs/dbraw/zinc/85/31/84/342853184.db2.gz FZOZAJQXIIDVAT-JTQLQIEISA-N 0 1 247.342 2.088 20 0 BEADMN COc1ncncc1CN1CCC2(CCC2)CC1 ZINC000648034439 398303442 /nfs/dbraw/zinc/30/34/42/398303442.db2.gz SYEZJMXKWKIXKB-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CSC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134566962 342868496 /nfs/dbraw/zinc/86/84/96/342868496.db2.gz WMIKCULEPOCKKB-JGVFFNPUSA-N 0 1 213.350 2.120 20 0 BEADMN Clc1cnc(NCCC[C@H]2CCOC2)s1 ZINC000649520040 398307442 /nfs/dbraw/zinc/30/74/42/398307442.db2.gz FDXPOSMSKUQSTC-QMMMGPOBSA-N 0 1 246.763 2.447 20 0 BEADMN CS[C@H]1CCCCN(Cc2cocn2)C1 ZINC000191950555 398310605 /nfs/dbraw/zinc/31/06/05/398310605.db2.gz IXPZOZCHOGNKIY-NSHDSACASA-N 0 1 226.345 2.392 20 0 BEADMN COC(=O)[C@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352174956 398316330 /nfs/dbraw/zinc/31/63/30/398316330.db2.gz DRJBKWHZURONES-JTQLQIEISA-N 0 1 225.332 2.060 20 0 BEADMN CCC1CCN(Cc2cnc(C)cn2)CC1 ZINC000336344081 398318333 /nfs/dbraw/zinc/31/83/33/398318333.db2.gz ROMUTWXAKQLBGG-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1nnc(NC(=O)c2cccc(C3CC3)c2)[nH]1 ZINC000584002846 342900047 /nfs/dbraw/zinc/90/00/47/342900047.db2.gz NBAKOROYIPWZBO-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cccc(C3CC3)c2)n1 ZINC000584002846 342900049 /nfs/dbraw/zinc/90/00/49/342900049.db2.gz NBAKOROYIPWZBO-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+](C2CCCC2)C1 ZINC000232739246 342879409 /nfs/dbraw/zinc/87/94/09/342879409.db2.gz WBHCLZQETHTDLN-ZDUSSCGKSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccncc2)C1 ZINC000232754436 342880006 /nfs/dbraw/zinc/88/00/06/342880006.db2.gz QKVRYEDUKMFAEB-AWEZNQCLSA-N 0 1 248.326 2.014 20 0 BEADMN CCN1CCN(c2nc(Cl)cs2)C[C@@H]1C ZINC000165189742 342880811 /nfs/dbraw/zinc/88/08/11/342880811.db2.gz KOGMYOLAJCPBTE-QMMMGPOBSA-N 0 1 245.779 2.327 20 0 BEADMN COc1cncc(CN2CCC(C(C)C)CC2)n1 ZINC000625193105 342906202 /nfs/dbraw/zinc/90/62/02/342906202.db2.gz WSDGYIHJQKOAAT-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)c1nc(C2(N)CCCCC2)no1 ZINC000036763912 342910729 /nfs/dbraw/zinc/91/07/29/342910729.db2.gz BMTGCZKNUBXGSP-UHFFFAOYSA-N 0 1 209.293 2.311 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000080687438 342927942 /nfs/dbraw/zinc/92/79/42/342927942.db2.gz WSBLUXVJRJXWAA-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN C[N@@H+](CCc1ccccc1C(=O)[O-])C1CC1 ZINC000234292873 342918504 /nfs/dbraw/zinc/91/85/04/342918504.db2.gz VOZKNKQYYKBVDG-UHFFFAOYSA-N 0 1 219.284 2.022 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC(O)CC2)o1 ZINC000271045278 187336044 /nfs/dbraw/zinc/33/60/44/187336044.db2.gz QJWPKJBXKROKQG-ZWNOBZJWSA-N 0 1 235.327 2.360 20 0 BEADMN COc1cccc(-n2[nH]c(C)c(C3CC3)c2=O)c1 ZINC000634585466 342928793 /nfs/dbraw/zinc/92/87/93/342928793.db2.gz HVHXGRXOKYPJCR-CYBMUJFWSA-N 0 1 244.294 2.444 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634585885 342929169 /nfs/dbraw/zinc/92/91/69/342929169.db2.gz UVLKFVILQOBKHO-CABZTGNLSA-N 0 1 244.294 2.444 20 0 BEADMN C[C@@H](O)CCN(C)Cc1ccc(Cl)o1 ZINC000093481048 344011495 /nfs/dbraw/zinc/01/14/95/344011495.db2.gz YZWSDNYZUDHMJP-MRVPVSSYSA-N 0 1 217.696 2.136 20 0 BEADMN CC(C)(F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000271118655 187336137 /nfs/dbraw/zinc/33/61/37/187336137.db2.gz FOXLFBBPGYYVBF-UHFFFAOYSA-N 0 1 221.235 2.250 20 0 BEADMN O=C1[C@@H]2Cc3ccccc3C2=NN1C1CCCC1 ZINC000634588592 342934417 /nfs/dbraw/zinc/93/44/17/342934417.db2.gz YLQPGJCLRWRVJA-CYBMUJFWSA-N 0 1 240.306 2.348 20 0 BEADMN COC(=O)c1[nH]c(CN2[C@H](C)C[C@@H]2C)cc1C ZINC000602647038 349657512 /nfs/dbraw/zinc/65/75/12/349657512.db2.gz GDWWHTVZGWKKFG-AOOOYVTPSA-N 0 1 236.315 2.092 20 0 BEADMN CC[C@H](C)N(CC(=O)OC)C[C@](C)(CC)OC ZINC000602647190 349657890 /nfs/dbraw/zinc/65/78/90/349657890.db2.gz IUFTZIFTDHDYHK-AAEUAGOBSA-N 0 1 245.363 2.075 20 0 BEADMN c1c[nH]c([C@H](NCC2CC2)c2ccccc2)n1 ZINC000125774401 398339365 /nfs/dbraw/zinc/33/93/65/398339365.db2.gz CLQPXGFIEALUTR-CYBMUJFWSA-N 0 1 227.311 2.499 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CCC3)C2)n1 ZINC000628176960 398337486 /nfs/dbraw/zinc/33/74/86/398337486.db2.gz FGROKORUHWPIGN-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000355204573 398332124 /nfs/dbraw/zinc/33/21/24/398332124.db2.gz TWPAPJQSLGCMBI-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN O=C1[C@H]2CCCCCCC2=NN1c1ncccn1 ZINC000634590438 342937567 /nfs/dbraw/zinc/93/75/67/342937567.db2.gz ZYAJXUCBDGPDGO-JTQLQIEISA-N 0 1 244.298 2.150 20 0 BEADMN OC1(CCSc2nc(C3CC3)n[nH]2)CCC1 ZINC000576803872 365689677 /nfs/dbraw/zinc/68/96/77/365689677.db2.gz QUCRVPBTZKFTHY-UHFFFAOYSA-N 0 1 239.344 2.079 20 0 BEADMN OC1(CCSc2n[nH]c(C3CC3)n2)CCC1 ZINC000576803872 365689686 /nfs/dbraw/zinc/68/96/86/365689686.db2.gz QUCRVPBTZKFTHY-UHFFFAOYSA-N 0 1 239.344 2.079 20 0 BEADMN CC[C@H](C)c1cc(=O)n(Cc2cccnc2)[nH]1 ZINC000634592842 342946384 /nfs/dbraw/zinc/94/63/84/342946384.db2.gz WLFSUIMZQMARHZ-JTQLQIEISA-N 0 1 231.299 2.216 20 0 BEADMN CCOC1CC(CN2CCC=C(F)C2)C1 ZINC000351751834 136251442 /nfs/dbraw/zinc/25/14/42/136251442.db2.gz DCZHXGBVASBGIE-UHFFFAOYSA-N 0 1 213.296 2.361 20 0 BEADMN CCc1c(=O)n(-c2ccncc2)[nH]c1C(C)C ZINC000634591430 342942092 /nfs/dbraw/zinc/94/20/92/342942092.db2.gz CMJGLUXTWZJMGS-LLVKDONJSA-N 0 1 231.299 2.466 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccc(F)cc2F)CO1 ZINC000335425308 398341273 /nfs/dbraw/zinc/34/12/73/398341273.db2.gz JEAYCWDSYZXOGC-GZMMTYOYSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccncc3)C(=O)[C@@H]2C1 ZINC000634592056 342944313 /nfs/dbraw/zinc/94/43/13/342944313.db2.gz WJUWHRMANAGITA-MWLCHTKSSA-N 0 1 229.283 2.220 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3)c(=O)c2C1 ZINC000634592056 342944314 /nfs/dbraw/zinc/94/43/14/342944314.db2.gz WJUWHRMANAGITA-MWLCHTKSSA-N 0 1 229.283 2.220 20 0 BEADMN CC(C)[C@@](C)(O)CNCc1c(F)cccc1F ZINC000171842163 398343548 /nfs/dbraw/zinc/34/35/48/398343548.db2.gz CWNIKBSZDFARMO-ZDUSSCGKSA-N 0 1 243.297 2.461 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)N(C)C ZINC000635650262 398344199 /nfs/dbraw/zinc/34/41/99/398344199.db2.gz WJOOKWDAWJLSFY-UTUOFQBUSA-N 0 1 240.391 2.268 20 0 BEADMN CCCCCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000019476899 342949460 /nfs/dbraw/zinc/94/94/60/342949460.db2.gz ONIDIXSIRZKGCC-CQSZACIVSA-N 0 1 246.354 2.007 20 0 BEADMN Cc1[nH]n(CCc2ccccc2)c(=O)c1C ZINC000634593252 342950791 /nfs/dbraw/zinc/95/07/91/342950791.db2.gz JQSJJLWSVPSAMC-SNVBAGLBSA-N 0 1 216.284 2.083 20 0 BEADMN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)cn3)N=C12 ZINC000634593225 342950803 /nfs/dbraw/zinc/95/08/03/342950803.db2.gz IRQPAUOLLWBMOI-CBAPKCEASA-N 0 1 249.701 2.484 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccc(Cl)cn1 ZINC000634593716 342951345 /nfs/dbraw/zinc/95/13/45/342951345.db2.gz XYOZTPRFHBQFLL-MRVPVSSYSA-N 0 1 235.674 2.238 20 0 BEADMN COc1ccc(C2=NN(C(C)C)C(=O)C2)cc1 ZINC000634594820 342956292 /nfs/dbraw/zinc/95/62/92/342956292.db2.gz IFSONKWHBIQZMH-UHFFFAOYSA-N 0 1 232.283 2.040 20 0 BEADMN COC1CC(N(C)Cc2cccc3c2OCO3)C1 ZINC000348712041 536717439 /nfs/dbraw/zinc/71/74/39/536717439.db2.gz HDLSJFIKJWOLFH-UHFFFAOYSA-N 0 1 249.310 2.025 20 0 BEADMN COC1CC(N(C)Cc2ccccc2F)C1 ZINC000352212060 536717696 /nfs/dbraw/zinc/71/76/96/536717696.db2.gz NEEIWNHGFAWTPO-UHFFFAOYSA-N 0 1 223.291 2.435 20 0 BEADMN CCn1cc(CN(C)CCSC(C)C)cn1 ZINC000566925535 323026134 /nfs/dbraw/zinc/02/61/34/323026134.db2.gz WVOKDOTXAGKRHI-UHFFFAOYSA-N 0 1 241.404 2.476 20 0 BEADMN Cc1ccc([C@H](C)NCCNC(=O)C(C)C)o1 ZINC000020125257 342970009 /nfs/dbraw/zinc/97/00/09/342970009.db2.gz DDMCXORBMKECBK-NSHDSACASA-N 0 1 238.331 2.011 20 0 BEADMN CSCCC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000235052634 342977301 /nfs/dbraw/zinc/97/73/01/342977301.db2.gz MNLAYJSZTCPRHS-GFCCVEGCSA-N 0 1 245.388 2.172 20 0 BEADMN COCCN(CC[C@H](C)F)Cc1ccco1 ZINC000351858126 136258795 /nfs/dbraw/zinc/25/87/95/136258795.db2.gz JNGGUGOORGLRBP-NSHDSACASA-N 0 1 229.295 2.476 20 0 BEADMN CCN(CC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602765667 349721904 /nfs/dbraw/zinc/72/19/04/349721904.db2.gz FHMGJQVFQXFHIN-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCCN(CC)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602768643 349723944 /nfs/dbraw/zinc/72/39/44/349723944.db2.gz LGEDRHAZYLDTCZ-VIFPVBQESA-N 0 1 240.303 2.254 20 0 BEADMN CCCN(CC)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602768639 349724085 /nfs/dbraw/zinc/72/40/85/349724085.db2.gz LGEDRHAZYLDTCZ-SECBINFHSA-N 0 1 240.303 2.254 20 0 BEADMN CC[C@H]1C(=O)N(c2ccc(C)nn2)N=C1C(C)C ZINC000634600715 342993624 /nfs/dbraw/zinc/99/36/24/342993624.db2.gz QHSOSSNBVAVLMY-SNVBAGLBSA-N 0 1 246.314 2.170 20 0 BEADMN CC(C)CCN1CCOC[C@H]1c1cccn1C ZINC000162449918 349710181 /nfs/dbraw/zinc/71/01/81/349710181.db2.gz PBTWCUQXNIAHKO-AWEZNQCLSA-N 0 1 236.359 2.445 20 0 BEADMN CCOC[C@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009755 187213417 /nfs/dbraw/zinc/21/34/17/187213417.db2.gz RJFDWAHZSFRKHO-NEPJUHHUSA-N 0 1 238.331 2.402 20 0 BEADMN Cc1ccc(N2N=C3[C@H](C)CC[C@H]3C2=O)nc1 ZINC000634598368 342983090 /nfs/dbraw/zinc/98/30/90/342983090.db2.gz JDORODCZSIYSDL-NXEZZACHSA-N 0 1 229.283 2.139 20 0 BEADMN C[C@H]1CN(Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC000335900606 136259417 /nfs/dbraw/zinc/25/94/17/136259417.db2.gz PLEGCHRITWSJIO-QWRGUYRKSA-N 0 1 236.363 2.121 20 0 BEADMN CCn1cc(CN2CCC(SC)CC2)cn1 ZINC000602724987 349715151 /nfs/dbraw/zinc/71/51/51/349715151.db2.gz GXDBQOUAQJWWIM-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN COC(=O)c1ccc(CNCC(C)(C)F)cc1 ZINC000602727401 349716656 /nfs/dbraw/zinc/71/66/56/349716656.db2.gz QOYYZZYKGKIUTC-UHFFFAOYSA-N 0 1 239.290 2.311 20 0 BEADMN COCCc1cc(=O)n([C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000634599164 342987377 /nfs/dbraw/zinc/98/73/77/342987377.db2.gz BXUZMVOBAHXLSF-PWSUYJOCSA-N 0 1 238.331 2.190 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(C)(C)C1 ZINC000085697163 259339138 /nfs/dbraw/zinc/33/91/38/259339138.db2.gz CSWSCXXFXNPASF-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@H]1C(=O)N(c2ncccc2F)N=C1C ZINC000634605387 342999621 /nfs/dbraw/zinc/99/96/21/342999621.db2.gz KIXQNJUGPCMNGJ-SECBINFHSA-N 0 1 235.262 2.360 20 0 BEADMN Cc1[nH]n(-c2ccncc2C)c(=O)c1C1CC1 ZINC000634606160 343001040 /nfs/dbraw/zinc/00/10/40/343001040.db2.gz ITHVDBFFPNDNLM-LBPRGKRZSA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634605904 343001237 /nfs/dbraw/zinc/00/12/37/343001237.db2.gz BCMMKJKFRXADFQ-SCZZXKLOSA-N 0 1 229.283 2.139 20 0 BEADMN CCN(C#N)CCN1CCc2ccccc2[C@@H]1C ZINC000602777482 349743629 /nfs/dbraw/zinc/74/36/29/349743629.db2.gz WSXNDZNAFYJYCB-ZDUSSCGKSA-N 0 1 243.354 2.409 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H]2CCCSCC2)n1 ZINC000668050394 488195075 /nfs/dbraw/zinc/19/50/75/488195075.db2.gz PQJPZSHWBQLRIL-PSASIEDQSA-N 0 1 241.360 2.314 20 0 BEADMN CCC[C@H]1C(C)=NN(c2ccc(OC)cn2)C1=O ZINC000634609125 343007798 /nfs/dbraw/zinc/00/77/98/343007798.db2.gz WUQPDMSNVXPRAW-NSHDSACASA-N 0 1 247.298 2.229 20 0 BEADMN CCN(C#N)CCN(C)[C@H]1CCc2ccccc21 ZINC000602763244 349733597 /nfs/dbraw/zinc/73/35/97/349733597.db2.gz PJHUUDRWAYGDHU-HNNXBMFYSA-N 0 1 243.354 2.409 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000360935330 187217511 /nfs/dbraw/zinc/21/75/11/187217511.db2.gz BBPMWCKJXDKLAZ-XQQFMLRXSA-N 0 1 240.391 2.220 20 0 BEADMN COc1ccc(CCn2[nH]c(C)c(C)c2=O)cc1 ZINC000634612987 343010199 /nfs/dbraw/zinc/01/01/99/343010199.db2.gz MHXONVMINBGKOZ-JTQLQIEISA-N 0 1 246.310 2.092 20 0 BEADMN C[C@@H](c1ccncc1)N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634626352 343028249 /nfs/dbraw/zinc/02/82/49/343028249.db2.gz BYNQCOGTUMNMEY-SCVCMEIPSA-N 0 1 243.310 2.387 20 0 BEADMN C[C@@H](c1ccncc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634626352 343028250 /nfs/dbraw/zinc/02/82/50/343028250.db2.gz BYNQCOGTUMNMEY-SCVCMEIPSA-N 0 1 243.310 2.387 20 0 BEADMN Cc1cccc(Cc2cc(=O)n(C3CC3)[nH]2)c1 ZINC000634618576 343016499 /nfs/dbraw/zinc/01/64/99/343016499.db2.gz WEJCUKCQTLTBFG-UHFFFAOYSA-N 0 1 228.295 2.288 20 0 BEADMN CCN(C#N)CCN[C@H](C)c1ccsc1 ZINC000602824697 349763987 /nfs/dbraw/zinc/76/39/87/349763987.db2.gz PIMQPTZZNOIHTB-SNVBAGLBSA-N 0 1 223.345 2.202 20 0 BEADMN CCc1c(C)[nH]n(-c2ccnc(C)c2)c1=O ZINC000634619251 343018609 /nfs/dbraw/zinc/01/86/09/343018609.db2.gz TVPJHYHHDPQAEK-LLVKDONJSA-N 0 1 217.272 2.139 20 0 BEADMN CC(C)OCCn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634620274 343018757 /nfs/dbraw/zinc/01/87/57/343018757.db2.gz YMUQARGKJMKLAP-MNOVXSKESA-N 0 1 238.331 2.046 20 0 BEADMN CC(C)(C)CCn1[nH]c([C@H]2CCOC2)cc1=O ZINC000634620870 343019844 /nfs/dbraw/zinc/01/98/44/343019844.db2.gz RYTLNHHDLZVXIF-JTQLQIEISA-N 0 1 238.331 2.047 20 0 BEADMN CCCCc1cc(=O)n(CCOC(C)C)[nH]1 ZINC000634620018 343020119 /nfs/dbraw/zinc/02/01/19/343020119.db2.gz QKJHYRYRCRENJF-UHFFFAOYSA-N 0 1 226.320 2.190 20 0 BEADMN CCC(CC)Cn1[nH]c(CCOC)cc1=O ZINC000634621646 343020297 /nfs/dbraw/zinc/02/02/97/343020297.db2.gz LWRXJUMNCKYCGQ-UHFFFAOYSA-N 0 1 226.320 2.047 20 0 BEADMN CCC(CC)Cn1[nH]c2c(c1=O)CCC2 ZINC000634621799 343020493 /nfs/dbraw/zinc/02/04/93/343020493.db2.gz PUSPFFGYJBDXKU-JTQLQIEISA-N 0 1 208.305 2.421 20 0 BEADMN CC[C@@H](C)N1N=C(c2ccc(OC)cc2)CC1=O ZINC000634624077 343024667 /nfs/dbraw/zinc/02/46/67/343024667.db2.gz XDGHKSKTUBNYBO-SNVBAGLBSA-N 0 1 246.310 2.430 20 0 BEADMN Cn1cc(N2N=C3CCCCCC[C@@H]3C2=O)cn1 ZINC000634623831 343024877 /nfs/dbraw/zinc/02/48/77/343024877.db2.gz POTCLQANWVFIHC-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN Cn1cc(-n2[nH]c3c(c2=O)CCCCCC3)cn1 ZINC000634623831 343024878 /nfs/dbraw/zinc/02/48/78/343024878.db2.gz POTCLQANWVFIHC-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN C[C@@H]1CCc2[nH]n(C34CC(C3)C4)c(=O)c2C1 ZINC000634625015 343026804 /nfs/dbraw/zinc/02/68/04/343026804.db2.gz WNGRMIOPBAEMJF-PSHCNPEKSA-N 0 1 218.300 2.173 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@@H](O)COC(C)C)C2 ZINC000361585677 187218032 /nfs/dbraw/zinc/21/80/32/187218032.db2.gz JCYXSPMHTXHQKY-OAHLLOKOSA-N 0 1 249.354 2.097 20 0 BEADMN CCC1=NN([C@@H](C)c2ccncc2)C(=O)[C@H]1C ZINC000634626292 343028105 /nfs/dbraw/zinc/02/81/05/343028105.db2.gz AYSNQBHTHQGMBR-UWVGGRQHSA-N 0 1 231.299 2.387 20 0 BEADMN CCc1[nH]n([C@@H](C)c2ccncc2)c(=O)c1C ZINC000634626292 343028106 /nfs/dbraw/zinc/02/81/06/343028106.db2.gz AYSNQBHTHQGMBR-UWVGGRQHSA-N 0 1 231.299 2.387 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1cccc(F)c1F ZINC000634613738 343011248 /nfs/dbraw/zinc/01/12/48/343011248.db2.gz HEDAQSHLEVCWRQ-ZETCQYMHSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1cccc(F)c1F)CCC2 ZINC000634613738 343011249 /nfs/dbraw/zinc/01/12/49/343011249.db2.gz HEDAQSHLEVCWRQ-ZETCQYMHSA-N 0 1 236.221 2.468 20 0 BEADMN CC(C)c1cc(=O)n([C@@H](C)C(F)(F)F)[nH]1 ZINC000634630809 343041147 /nfs/dbraw/zinc/04/11/47/343041147.db2.gz FFQZHYGTNJRLHI-LURJTMIESA-N 0 1 222.210 2.182 20 0 BEADMN CCN(C#N)CCN(C)CCc1ccccc1C ZINC000602834378 349774303 /nfs/dbraw/zinc/77/43/03/349774303.db2.gz BJWMPCOUTAJCNA-UHFFFAOYSA-N 0 1 245.370 2.272 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccncc2Cl)C1 ZINC000336107769 136263484 /nfs/dbraw/zinc/26/34/84/136263484.db2.gz YFJRPVQCTBLWPD-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@@H](NCCC(N)=O)c1c(F)cccc1Cl ZINC000309323982 259342674 /nfs/dbraw/zinc/34/26/74/259342674.db2.gz QIZNUDPPBZTOLZ-SSDOTTSWSA-N 0 1 244.697 2.005 20 0 BEADMN CCCCc1[nH]n(-c2cncnc2)c(=O)c1C ZINC000634627521 343033584 /nfs/dbraw/zinc/03/35/84/343033584.db2.gz FHWZVVLQMZMBEK-SECBINFHSA-N 0 1 232.287 2.006 20 0 BEADMN CCOC(=O)CN(CC[C@H](C)F)C(C)(C)C ZINC000351879157 136262346 /nfs/dbraw/zinc/26/23/46/136262346.db2.gz HAWRKJZPJVSXAV-JTQLQIEISA-N 0 1 233.327 2.398 20 0 BEADMN C[C@H](n1[nH]c([C@H]2CCOC2)cc1=O)C(C)(C)C ZINC000634629729 343038053 /nfs/dbraw/zinc/03/80/53/343038053.db2.gz AUZWSNMSZCBGEZ-UWVGGRQHSA-N 0 1 238.331 2.046 20 0 BEADMN Cc1[nH]n(CC2(C)CCCC2)c(=O)c1C ZINC000634630482 343039222 /nfs/dbraw/zinc/03/92/22/343039222.db2.gz XAIQOYZGGZTCEF-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN Cc1[nH]n(-c2cc(F)cc(F)c2F)c(=O)c1C ZINC000634632852 343044389 /nfs/dbraw/zinc/04/43/89/343044389.db2.gz CIJYALRLJDFSMG-RXMQYKEDSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1[nH]n(-c2cc(F)cc(F)c2F)c(=O)c1C ZINC000634632853 343044423 /nfs/dbraw/zinc/04/44/23/343044423.db2.gz CIJYALRLJDFSMG-YFKPBYRVSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1ncc(CN(C)[C@H]2CCSC2)s1 ZINC000162659641 349788296 /nfs/dbraw/zinc/78/82/96/349788296.db2.gz MVLCPWWCANEIAU-VIFPVBQESA-N 0 1 228.386 2.389 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccncc3F)C(=O)[C@H]2C1 ZINC000634634077 343046788 /nfs/dbraw/zinc/04/67/88/343046788.db2.gz NSSGHUBERNZMGD-BDAKNGLRSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3F)c(=O)c2C1 ZINC000634634077 343046791 /nfs/dbraw/zinc/04/67/91/343046791.db2.gz NSSGHUBERNZMGD-BDAKNGLRSA-N 0 1 247.273 2.360 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(-c2ccncc2F)[nH]1 ZINC000634633875 343046835 /nfs/dbraw/zinc/04/68/35/343046835.db2.gz IICZABUZRTYBAK-MRVPVSSYSA-N 0 1 235.262 2.360 20 0 BEADMN C[C@H]1C[NH+](Cc2c[nH]cn2)C[C@H](C)C1(F)F ZINC000625656003 344025619 /nfs/dbraw/zinc/02/56/19/344025619.db2.gz YKXNODSSSLEMOC-IUCAKERBSA-N 0 1 229.274 2.133 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H](O)C3(CC3)C2)o1 ZINC000375285912 187224696 /nfs/dbraw/zinc/22/46/96/187224696.db2.gz GTHSCHGWCQNNQF-MPKXVKKWSA-N 0 1 247.338 2.360 20 0 BEADMN CO[C@H]1C[C@@H](NCc2csc(C)n2)C1(C)C ZINC000227825970 536803730 /nfs/dbraw/zinc/80/37/30/536803730.db2.gz MUDIANCBCXQBOC-MNOVXSKESA-N 0 1 240.372 2.355 20 0 BEADMN CCc1ccc(CN(CCOC)C2CC2)o1 ZINC000507159907 529638318 /nfs/dbraw/zinc/63/83/18/529638318.db2.gz JQMBQAPBHIQAGI-UHFFFAOYSA-N 0 1 223.316 2.453 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@H]2CCOC2(C)C)[nH]1 ZINC000634632518 343044043 /nfs/dbraw/zinc/04/40/43/343044043.db2.gz TVSRIFOSXHIMME-KOLCDFICSA-N 0 1 238.331 2.188 20 0 BEADMN C/C=C\C[C@H](CO)N[C@H](C)c1csc(C)n1 ZINC000336782018 187231312 /nfs/dbraw/zinc/23/13/12/187231312.db2.gz WLTHBVCDRCTJED-RDJHYZAGSA-N 0 1 240.372 2.429 20 0 BEADMN CNC(C)(C)c1cn([C@@H](C)c2ccccc2)nn1 ZINC000640848891 362063856 /nfs/dbraw/zinc/06/38/56/362063856.db2.gz SCJBGQAQDPMOEE-NSHDSACASA-N 0 1 244.342 2.342 20 0 BEADMN CC[C@H](C)n1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000640939362 362077572 /nfs/dbraw/zinc/07/75/72/362077572.db2.gz SJFLGNDRGMBQCI-TVQRCGJNSA-N 0 1 248.305 2.436 20 0 BEADMN CC[C@@H](C)Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640940540 362087320 /nfs/dbraw/zinc/08/73/20/362087320.db2.gz VPBJILTYIAABMX-RISCZKNCSA-N 0 1 244.342 2.372 20 0 BEADMN CC[C@@H](C)Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000640940538 362087399 /nfs/dbraw/zinc/08/73/99/362087399.db2.gz VPBJILTYIAABMX-BXUZGUMPSA-N 0 1 244.342 2.372 20 0 BEADMN CNC(C)(C)c1cn([C@@H]2C=CCCC2)nn1 ZINC000640946235 362088115 /nfs/dbraw/zinc/08/81/15/362088115.db2.gz VYOQJPMROBOUIA-SNVBAGLBSA-N 0 1 220.320 2.014 20 0 BEADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1nncn1C ZINC000120779981 343134394 /nfs/dbraw/zinc/13/43/94/343134394.db2.gz JIGBYNNYYKXJJC-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1CCC[N@H+]1CCc1ccccc1C(=O)[O-] ZINC000093955692 343151936 /nfs/dbraw/zinc/15/19/36/343151936.db2.gz VZGUDURRJZNVLQ-LLVKDONJSA-N 0 1 233.311 2.412 20 0 BEADMN CC1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094805582 343153325 /nfs/dbraw/zinc/15/33/25/343153325.db2.gz IQBAIQQTHVIMNG-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CCCC1 ZINC000094762807 343157225 /nfs/dbraw/zinc/15/72/25/343157225.db2.gz FAGVUWGLNAWZRR-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000123858151 343166746 /nfs/dbraw/zinc/16/67/46/343166746.db2.gz UEGZJJIMFOSEGK-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1nc2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000160729409 343203567 /nfs/dbraw/zinc/20/35/67/343203567.db2.gz HTPXXYVDXQICIN-NSHDSACASA-N 0 1 220.316 2.249 20 0 BEADMN Cc1cccnc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000161047846 343204007 /nfs/dbraw/zinc/20/40/07/343204007.db2.gz TUFDJEZIRABDCD-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000167796847 343209543 /nfs/dbraw/zinc/20/95/43/343209543.db2.gz HSHBNKFPDLIYHM-QWRGUYRKSA-N 0 1 211.305 2.280 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000167802862 343209592 /nfs/dbraw/zinc/20/95/92/343209592.db2.gz TXKNZGZZWOQKAR-NSHDSACASA-N 0 1 211.305 2.138 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000165967579 343212756 /nfs/dbraw/zinc/21/27/56/343212756.db2.gz HUUBASNNNOLLSG-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](CC)C1 ZINC000166419053 343213111 /nfs/dbraw/zinc/21/31/11/343213111.db2.gz AMTBDGAYSKFAMB-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])CC1 ZINC000082489590 136276555 /nfs/dbraw/zinc/27/65/55/136276555.db2.gz RWVXPHWBXVCOEL-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN CCCC(CCC)C(=O)N1CCN[C@@H](C)C1 ZINC000132898573 343189196 /nfs/dbraw/zinc/18/91/96/343189196.db2.gz VTXYHNFXDNWSTD-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000050885402 343221634 /nfs/dbraw/zinc/22/16/34/343221634.db2.gz RPVBPGIRHGDZEE-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN CCO[C@H](C[N@H+]1CC[C@H](C)[C@H](F)C1)C1CC1 ZINC000625314271 343230901 /nfs/dbraw/zinc/23/09/01/343230901.db2.gz OAUVRBUMFHBJPR-CYZMBNFOSA-N 0 1 229.339 2.481 20 0 BEADMN CCc1nc(CN[C@@H]2CCOC2(C)C)cs1 ZINC000336899526 136278518 /nfs/dbraw/zinc/27/85/18/136278518.db2.gz RGZPJOROAYONPP-SNVBAGLBSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1nc(CNC[C@H](O)c2ccccc2)cs1 ZINC000035112805 343284797 /nfs/dbraw/zinc/28/47/97/343284797.db2.gz PYMNLECYPJWGQE-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)NC(C)(C)C ZINC000035124361 343285660 /nfs/dbraw/zinc/28/56/60/343285660.db2.gz QSJKXUUSBNDMKF-GHMZBOCLSA-N 0 1 249.358 2.035 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2csnn2)[C@H](C)C1 ZINC000069674900 343288560 /nfs/dbraw/zinc/28/85/60/343288560.db2.gz SJKWILAAJBAQQQ-FXPVBKGRSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000033816972 343261535 /nfs/dbraw/zinc/26/15/35/343261535.db2.gz MBKJEVLNXQIQCY-UHFFFAOYSA-N 0 1 228.251 2.348 20 0 BEADMN CC[C@@H]1CCCN([C@@H](C)C(=O)OC)CC1 ZINC000070613667 343334253 /nfs/dbraw/zinc/33/42/53/343334253.db2.gz SLOZFFACWIBHRG-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000035298433 343292877 /nfs/dbraw/zinc/29/28/77/343292877.db2.gz SBRMKGSUQOSZJU-ZDUSSCGKSA-N 0 1 249.310 2.005 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)OC ZINC000070074900 343297478 /nfs/dbraw/zinc/29/74/78/343297478.db2.gz PCBAFIROKNZVJM-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](O)CN[C@H](c1ccco1)c1ccccc1 ZINC000035601698 343298976 /nfs/dbraw/zinc/29/89/76/343298976.db2.gz JUFSDXAMQOZBQX-RISCZKNCSA-N 0 1 231.295 2.339 20 0 BEADMN CCN(Cc1cnc(C(C)C)s1)C[C@H](C)O ZINC000348717559 136294351 /nfs/dbraw/zinc/29/43/51/136294351.db2.gz UQNPGQSXRHVFTG-JTQLQIEISA-N 0 1 242.388 2.469 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000070158093 343303158 /nfs/dbraw/zinc/30/31/58/343303158.db2.gz KGWHUPNOWBDCNS-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1noc([C@@H]2CCCN2C[C@H]2C[C@@H]2C)n1 ZINC000348817311 136299078 /nfs/dbraw/zinc/29/90/78/136299078.db2.gz OBAQNKKTXJQIFZ-GDPRMGEGSA-N 0 1 221.304 2.171 20 0 BEADMN N[C@H](c1cn(CCC2CC2)nn1)c1ccccc1 ZINC000641065666 362172892 /nfs/dbraw/zinc/17/28/92/362172892.db2.gz JVHILSDWRZIMEJ-AWEZNQCLSA-N 0 1 242.326 2.126 20 0 BEADMN COCc1cccc(CNCc2c[nH]nc2C)c1 ZINC000038010691 343365135 /nfs/dbraw/zinc/36/51/35/343365135.db2.gz UAJOTDIOJQNUDA-UHFFFAOYSA-N 0 1 245.326 2.154 20 0 BEADMN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccco1 ZINC000038013711 343365663 /nfs/dbraw/zinc/36/56/63/343365663.db2.gz FESKAXZELUUSED-GHMZBOCLSA-N 0 1 238.331 2.235 20 0 BEADMN CC(C)(C)n1cc(CNCc2cccnc2)cn1 ZINC000037232254 343340281 /nfs/dbraw/zinc/34/02/81/343340281.db2.gz QOJLEMMZXXTUBD-UHFFFAOYSA-N 0 1 244.342 2.323 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc2cc(C)ccn12 ZINC000348832608 136303494 /nfs/dbraw/zinc/30/34/94/136303494.db2.gz JOFRUHZBDJOQHZ-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN CC[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC000335674728 136317788 /nfs/dbraw/zinc/31/77/88/136317788.db2.gz MFRBBAWDJUEKOL-LLVKDONJSA-N 0 1 205.305 2.017 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC(C)C1 ZINC000335675384 136318064 /nfs/dbraw/zinc/31/80/64/136318064.db2.gz LSYJDIPGTQPWNZ-UHFFFAOYSA-N 0 1 218.300 2.097 20 0 BEADMN c1cnc(C[N@H+]2CCSC3(CCC3)CC2)cn1 ZINC000335642433 136308892 /nfs/dbraw/zinc/30/88/92/136308892.db2.gz KPQJOYUWTGQHRZ-UHFFFAOYSA-N 0 1 249.383 2.338 20 0 BEADMN c1cnc(CN2CCSC3(CCC3)CC2)cn1 ZINC000335642433 136308893 /nfs/dbraw/zinc/30/88/93/136308893.db2.gz KPQJOYUWTGQHRZ-UHFFFAOYSA-N 0 1 249.383 2.338 20 0 BEADMN C[C@H]1OCC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000335666142 136311087 /nfs/dbraw/zinc/31/10/87/136311087.db2.gz YYHYMGPYJADOJJ-KRTXAFLBSA-N 0 1 245.244 2.371 20 0 BEADMN Cc1ccc(CN2CC[C@@H](n3cccn3)C2)nc1 ZINC000335667129 136311296 /nfs/dbraw/zinc/31/12/96/136311296.db2.gz RZOYUYKGIKUHBD-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(C)s1 ZINC000335669964 136313041 /nfs/dbraw/zinc/31/30/41/136313041.db2.gz YUDQAXGTVWNHGZ-PSASIEDQSA-N 0 1 225.361 2.467 20 0 BEADMN COCC1(CN[C@@H](C)c2csnn2)CCC1 ZINC000398239910 488215708 /nfs/dbraw/zinc/21/57/08/488215708.db2.gz OFILNVTVFJECKB-VIFPVBQESA-N 0 1 241.360 2.005 20 0 BEADMN Cc1cccc([C@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000123206213 343397084 /nfs/dbraw/zinc/39/70/84/343397084.db2.gz SEXSQNGVGIXYBT-JTQLQIEISA-N 0 1 207.273 2.072 20 0 BEADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cncn1C ZINC000335696918 136327288 /nfs/dbraw/zinc/32/72/88/136327288.db2.gz JNCAHJBKZKXYDI-LLVKDONJSA-N 0 1 219.332 2.185 20 0 BEADMN c1c(CNC2CC2)nnn1CCC1=CCCCC1 ZINC000641078953 362189727 /nfs/dbraw/zinc/18/97/27/362189727.db2.gz MECMIRIWBZHXCA-UHFFFAOYSA-N 0 1 246.358 2.421 20 0 BEADMN COC[C@@H](C)NCc1cc(O)ccc1Cl ZINC000625401451 343413464 /nfs/dbraw/zinc/41/34/64/343413464.db2.gz SRSXDDUNTJVFNZ-MRVPVSSYSA-N 0 1 229.707 2.170 20 0 BEADMN CN[C@H](C)c1cn(CCC2=CCCCC2)nn1 ZINC000641078623 362190296 /nfs/dbraw/zinc/19/02/96/362190296.db2.gz IXIKYQPAZDMRQB-LLVKDONJSA-N 0 1 234.347 2.449 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)CC(C)(C)C1 ZINC000335679342 136319737 /nfs/dbraw/zinc/31/97/37/136319737.db2.gz FKCADVXSMRRHHC-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CC(C)(CF)NC(=O)c1n[nH]c2ccccc21 ZINC000335679967 136319860 /nfs/dbraw/zinc/31/98/60/136319860.db2.gz CIPKAKGVZASTES-UHFFFAOYSA-N 0 1 235.262 2.041 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C[C@H]2CCC[C@@H]2C1 ZINC000335679054 136319975 /nfs/dbraw/zinc/31/99/75/136319975.db2.gz LEEPBSUNMXZNSR-GHMZBOCLSA-N 0 1 245.326 2.159 20 0 BEADMN CC(=O)CCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276885432 187339805 /nfs/dbraw/zinc/33/98/05/187339805.db2.gz MGPCYTZPYIRPBC-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN Cc1ccn2c(CN3CC(C)C3)cnc2c1 ZINC000335720988 136345601 /nfs/dbraw/zinc/34/56/01/136345601.db2.gz HFMAESXSQQOLNI-UHFFFAOYSA-N 0 1 215.300 2.094 20 0 BEADMN CCC1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC000569996414 323046991 /nfs/dbraw/zinc/04/69/91/323046991.db2.gz RALBNYODGBNPCE-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@@H]2C)c1C ZINC000335737979 136350947 /nfs/dbraw/zinc/35/09/47/136350947.db2.gz SENJCIVCTLEBAE-GZMMTYOYSA-N 0 1 235.331 2.193 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CCC[C@H]2C)c1C ZINC000335737982 136350950 /nfs/dbraw/zinc/35/09/50/136350950.db2.gz SENJCIVCTLEBAE-LDYMZIIASA-N 0 1 235.331 2.193 20 0 BEADMN CCC[C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000349174969 136330447 /nfs/dbraw/zinc/33/04/47/136330447.db2.gz HONWWYHGIFWXPI-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CN[C@@H](C)c1cn(Cc2cc(C)ccc2F)nn1 ZINC000641090798 362216220 /nfs/dbraw/zinc/21/62/20/362216220.db2.gz KGKNFGOFQNTUIL-JTQLQIEISA-N 0 1 248.305 2.054 20 0 BEADMN CC[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000335704474 136335139 /nfs/dbraw/zinc/33/51/39/136335139.db2.gz DIOJVAJFRMACAH-SNVBAGLBSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@@H](CO)N(C)Cc1cnc(C2CCC2)s1 ZINC000349289614 136336329 /nfs/dbraw/zinc/33/63/29/136336329.db2.gz WMGYILLGUSHVLJ-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)c2ccoc2)c1 ZINC000335719214 136340482 /nfs/dbraw/zinc/34/04/82/136340482.db2.gz JGKWFRCFOFKIIU-UHFFFAOYSA-N 0 1 245.234 2.440 20 0 BEADMN Cc1ccc(O)c(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000335850629 136355391 /nfs/dbraw/zinc/35/53/91/136355391.db2.gz ZMTLBMGDUNSHCK-AOOOYVTPSA-N 0 1 206.289 2.078 20 0 BEADMN CCc1nc(CN2Cc3ccccc3[C@H]2C)n[nH]1 ZINC000335854217 136355797 /nfs/dbraw/zinc/35/57/97/136355797.db2.gz SGNJXNUSGBJEKV-SNVBAGLBSA-N 0 1 242.326 2.444 20 0 BEADMN Cc1c(C[N@H+]2CC(C)=C[C@@H](C)C2)cnn1C ZINC000335891224 136358905 /nfs/dbraw/zinc/35/89/05/136358905.db2.gz WCIUVDTZIYCWRQ-SNVBAGLBSA-N 0 1 219.332 2.127 20 0 BEADMN c1ccc([C@@H]2COCCN2C[C@@H]2CCOC2)cc1 ZINC000335896770 136359405 /nfs/dbraw/zinc/35/94/05/136359405.db2.gz LUSUEYHIHMRMCG-ZFWWWQNUSA-N 0 1 247.338 2.096 20 0 BEADMN CNC(C)(C)c1cn([C@@H](C)CC(C)C)nn1 ZINC000641094351 362221613 /nfs/dbraw/zinc/22/16/13/362221613.db2.gz SFFNDXWXODYGFF-JTQLQIEISA-N 0 1 224.352 2.340 20 0 BEADMN CCC1(C)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000263812048 168444631 /nfs/dbraw/zinc/44/46/31/168444631.db2.gz OIQRRKRBRVPQMC-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CCc1cnc(CN[C@@H]2CSC[C@H]2C)o1 ZINC000379932137 365744148 /nfs/dbraw/zinc/74/41/48/365744148.db2.gz WGFDZFHRFXMZGX-PSASIEDQSA-N 0 1 226.345 2.078 20 0 BEADMN Cc1cc(CN[C@@H]2CC[C@H]2C2CC2)no1 ZINC000379932909 365744305 /nfs/dbraw/zinc/74/43/05/365744305.db2.gz PPDLVZIHEHUSKZ-NWDGAFQWSA-N 0 1 206.289 2.261 20 0 BEADMN CCc1cnc(CN[C@H]2CSC[C@@H]2C)o1 ZINC000379932149 365744358 /nfs/dbraw/zinc/74/43/58/365744358.db2.gz WGFDZFHRFXMZGX-WPRPVWTQSA-N 0 1 226.345 2.078 20 0 BEADMN CSC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000602921773 349810372 /nfs/dbraw/zinc/81/03/72/349810372.db2.gz AFMFVSMYDREYAU-JTQLQIEISA-N 0 1 237.372 2.365 20 0 BEADMN CCc1ccc(CNC2(COC)CC2)o1 ZINC000379925131 365751669 /nfs/dbraw/zinc/75/16/69/365751669.db2.gz KSOXONKUBOLORB-UHFFFAOYSA-N 0 1 209.289 2.111 20 0 BEADMN Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000082717782 343460979 /nfs/dbraw/zinc/46/09/79/343460979.db2.gz UDMZYXHLKKDMCC-NSHDSACASA-N 0 1 221.300 2.381 20 0 BEADMN CSCCNCc1nccn1-c1ccccc1 ZINC000616468789 343463045 /nfs/dbraw/zinc/46/30/45/343463045.db2.gz STLFRXDRMDWTLW-UHFFFAOYSA-N 0 1 247.367 2.325 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2csnn2)C[C@@H]1C ZINC000082845816 343468535 /nfs/dbraw/zinc/46/85/35/343468535.db2.gz LGYTWVWIFBAVRJ-KXUCPTDWSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCCC(F)(F)F)C(=O)[O-] ZINC000576998640 365748463 /nfs/dbraw/zinc/74/84/63/365748463.db2.gz LNXQERFKUQYVQV-QMMMGPOBSA-N 0 1 241.253 2.372 20 0 BEADMN CC[C@H](C)C[C@H](C)NCc1csnn1 ZINC000083863618 343506908 /nfs/dbraw/zinc/50/69/08/343506908.db2.gz RRBKBFVGZAPLTE-IUCAKERBSA-N 0 1 213.350 2.452 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N(C)CC1CN(C)C1 ZINC000618189420 343515761 /nfs/dbraw/zinc/51/57/61/343515761.db2.gz JCMYXAFAKCBGGG-CYBMUJFWSA-N 0 1 240.391 2.079 20 0 BEADMN CCOC[C@H](C)NCc1nn(C)c2ccccc12 ZINC000112837479 343553799 /nfs/dbraw/zinc/55/37/99/343553799.db2.gz PLKXZQGQCPCHHL-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)N(Cc1cnc[nH]1)Cc1ccco1 ZINC000280400436 187341578 /nfs/dbraw/zinc/34/15/78/187341578.db2.gz HFGRQHYBKDHKQW-UHFFFAOYSA-N 0 1 219.288 2.413 20 0 BEADMN CC[C@H](CO)N(C)Cc1ccc(F)c(F)c1F ZINC000668202377 488222747 /nfs/dbraw/zinc/22/27/47/488222747.db2.gz YZKDXHIINSYZPX-SECBINFHSA-N 0 1 247.260 2.307 20 0 BEADMN CCC[C@H](C)N(C)Cc1snnc1C ZINC000580569519 365775029 /nfs/dbraw/zinc/77/50/29/365775029.db2.gz SUJSYSBQZJQJGH-QMMMGPOBSA-N 0 1 213.350 2.467 20 0 BEADMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000049070024 343592842 /nfs/dbraw/zinc/59/28/42/343592842.db2.gz CUDQAMPCFGOEPZ-ZDUSSCGKSA-N 0 1 247.342 2.211 20 0 BEADMN Cc1ccc(F)c(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC000622745879 343606271 /nfs/dbraw/zinc/60/62/71/343606271.db2.gz YSJKEZDKMHQONW-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693882 343608534 /nfs/dbraw/zinc/60/85/34/343608534.db2.gz MLHZHRRTSXQUAL-UHIISALHSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC2CCC2)C1 ZINC000399109070 488227427 /nfs/dbraw/zinc/22/74/27/488227427.db2.gz WUQAWBISEKJZBO-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C[N@H+]2C3CCC2(C(=O)[O-])CC3)CCC1 ZINC000634697010 343635600 /nfs/dbraw/zinc/63/56/00/343635600.db2.gz WRKUWQZHAMWOPJ-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC(CC)(CC)C1 ZINC000087256694 343642265 /nfs/dbraw/zinc/64/22/65/343642265.db2.gz GNFMNQOAOOIWHE-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)CN(C)C1CC1 ZINC000047914971 343644276 /nfs/dbraw/zinc/64/42/76/343644276.db2.gz GPISSBDLNNQUEP-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CCN(Cc1nc(C)cs1)CC(C)(C)O ZINC000087396382 343647321 /nfs/dbraw/zinc/64/73/21/343647321.db2.gz SFNMGUGUUZSGNI-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN COC1([C@@H](C)NCc2nc(C)c(C)[nH]2)CCC1 ZINC000580580136 365790275 /nfs/dbraw/zinc/79/02/75/365790275.db2.gz AYJMQTMPRFVVMZ-LLVKDONJSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1ccncc1C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000311073413 343629627 /nfs/dbraw/zinc/62/96/27/343629627.db2.gz MEUJGJVBFUKFBH-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCCNC(=O)CN(CC)CCc1ccccc1 ZINC000051923629 343629764 /nfs/dbraw/zinc/62/97/64/343629764.db2.gz BVTCQZQOJBKUIL-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CCc1nc(CN[C@H]2CCCC[C@@H]2O)cs1 ZINC000052015350 343631160 /nfs/dbraw/zinc/63/11/60/343631160.db2.gz HEDNWEFKODYRME-QWRGUYRKSA-N 0 1 240.372 2.099 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC2CCC2)C1 ZINC000399109067 488227810 /nfs/dbraw/zinc/22/78/10/488227810.db2.gz WUQAWBISEKJZBO-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CC[N@@H+](CC(=O)NC1CCCC1)C1CCCC1 ZINC000047967199 343677378 /nfs/dbraw/zinc/67/73/78/343677378.db2.gz MFAKWLPOYKZGST-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2ccccc2C)[nH]1 ZINC000255592794 343669922 /nfs/dbraw/zinc/66/99/22/343669922.db2.gz PBTIZLALDZLSQJ-FPLPWBNLSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2ccccc2C)n1 ZINC000255592794 343669923 /nfs/dbraw/zinc/66/99/23/343669923.db2.gz PBTIZLALDZLSQJ-FPLPWBNLSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1cccc(OCCN2CCSCC2)c1 ZINC000047993861 343690955 /nfs/dbraw/zinc/69/09/55/343690955.db2.gz YYDXQHCUKXKHSJ-UHFFFAOYSA-N 0 1 237.368 2.423 20 0 BEADMN CC(C)[C@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881398 187271005 /nfs/dbraw/zinc/27/10/05/187271005.db2.gz MNHBZAOJXSMANR-FZMZJTMJSA-N 0 1 234.343 2.021 20 0 BEADMN COC(=O)C12CCC(CC1)N2CCCCCF ZINC000602985738 349837579 /nfs/dbraw/zinc/83/75/79/349837579.db2.gz HHQDKLKFZLSNBO-UHFFFAOYSA-N 0 1 243.322 2.296 20 0 BEADMN Cc1ncc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)o1 ZINC000628290667 346962240 /nfs/dbraw/zinc/96/22/40/346962240.db2.gz POOFUUMQQKRKFC-WDEREUQCSA-N 0 1 242.269 2.460 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCOCC1 ZINC000148992847 343738178 /nfs/dbraw/zinc/73/81/78/343738178.db2.gz NGYSCAIYTBZWJU-LBPRGKRZSA-N 0 1 205.301 2.388 20 0 BEADMN CC[C@@H](N[C@H](C)c1cc(C)on1)C(C)(C)O ZINC000340500403 343717965 /nfs/dbraw/zinc/71/79/65/343717965.db2.gz GNKKRLGFPNFDGC-MWLCHTKSSA-N 0 1 226.320 2.183 20 0 BEADMN COc1cncc(CN2CCC3(CCC3)CC2)n1 ZINC000625425462 343725723 /nfs/dbraw/zinc/72/57/23/343725723.db2.gz IDVMTEMPRNYDLM-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CC[C@@H](N[C@H](C)c1ccccc1Cl)C(N)=O ZINC000061677059 343727978 /nfs/dbraw/zinc/72/79/78/343727978.db2.gz CNMNPVJRAIITCA-LDYMZIIASA-N 0 1 240.734 2.255 20 0 BEADMN CC/C=C\CCN1CCC[C@@H]1C(=O)OCC ZINC000342649580 343731507 /nfs/dbraw/zinc/73/15/07/343731507.db2.gz BUWDRIJCGDYEIF-FOQNGQEVSA-N 0 1 225.332 2.370 20 0 BEADMN COC(=O)CN(C)CC(C(C)C)C(C)C ZINC000584178172 343769877 /nfs/dbraw/zinc/76/98/77/343769877.db2.gz FAUKJEPSXZTBOB-UHFFFAOYSA-N 0 1 215.337 2.019 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000003750182 343771522 /nfs/dbraw/zinc/77/15/22/343771522.db2.gz KYXLVBPAMNHJBI-JTQLQIEISA-N 0 1 225.313 2.045 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC(C)(C)C[C@@H]1C ZINC000584121257 343761997 /nfs/dbraw/zinc/76/19/97/343761997.db2.gz GGFJXQLHMDHHTM-UWVGGRQHSA-N 0 1 234.347 2.071 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC(C)(C)C[C@H]1C ZINC000584121259 343762092 /nfs/dbraw/zinc/76/20/92/343762092.db2.gz GGFJXQLHMDHHTM-ZJUUUORDSA-N 0 1 234.347 2.071 20 0 BEADMN CCN1CCC[C@@H]1CNc1nccnc1Cl ZINC000043537627 343780769 /nfs/dbraw/zinc/78/07/69/343780769.db2.gz JTPFGIJRRFWWRS-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN Cc1ccc(CN2CCCOC[C@H]2C)o1 ZINC000678275296 488234429 /nfs/dbraw/zinc/23/44/29/488234429.db2.gz VAZSPUHCJPXCQU-SNVBAGLBSA-N 0 1 209.289 2.199 20 0 BEADMN C[C@H](CO)CN(C)Cc1ccccc1Cl ZINC000128394087 346987822 /nfs/dbraw/zinc/98/78/22/346987822.db2.gz LOQUAUUDISVABL-JTQLQIEISA-N 0 1 227.735 2.400 20 0 BEADMN CCN(CC(=O)NC1(CC(C)C)CC1)C1CC1 ZINC000620283890 343878989 /nfs/dbraw/zinc/87/89/89/343878989.db2.gz UHXRLDDQMNUEQN-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@H](C)CCC[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000625483420 343881866 /nfs/dbraw/zinc/88/18/66/343881866.db2.gz HBPFPWSJXAOSHS-JTQLQIEISA-N 0 1 241.335 2.423 20 0 BEADMN CC[C@@H](C)CNC(=O)c1ccc2cncn2c1 ZINC000421598000 192367026 /nfs/dbraw/zinc/36/70/26/192367026.db2.gz YCLIJGXALHEEND-SNVBAGLBSA-N 0 1 231.299 2.110 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@H]2C(C)C)n1 ZINC000336683744 537827541 /nfs/dbraw/zinc/82/75/41/537827541.db2.gz SNCCCBVRHUXPOI-LSJOCFKGSA-N 0 1 223.320 2.463 20 0 BEADMN CC1(C)COC[C@H]1NCc1ccc(F)cc1F ZINC000313128514 343893058 /nfs/dbraw/zinc/89/30/58/343893058.db2.gz WSZINIMRTNLZTH-GFCCVEGCSA-N 0 1 241.281 2.479 20 0 BEADMN CCNCc1cn(C[C@@H](CC)CC(F)F)nn1 ZINC000641182693 362259636 /nfs/dbraw/zinc/25/96/36/362259636.db2.gz RRHKCKHYTLZJII-VIFPVBQESA-N 0 1 246.305 2.069 20 0 BEADMN CC[C@@H](CC(F)F)Cn1cc([C@H](C)NC)nn1 ZINC000641182891 362259655 /nfs/dbraw/zinc/25/96/55/362259655.db2.gz UXNIRNDRDSKUJP-IUCAKERBSA-N 0 1 246.305 2.240 20 0 BEADMN COC(C)(C)CN[C@H](C)c1nccs1 ZINC000091736904 343951440 /nfs/dbraw/zinc/95/14/40/343951440.db2.gz AGRANOTYESKTMG-MRVPVSSYSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)[C@@H](O)CCN[C@@H](C)c1nccs1 ZINC000091728181 343951485 /nfs/dbraw/zinc/95/14/85/343951485.db2.gz ASKBJBUOZHBAMQ-UWVGGRQHSA-N 0 1 228.361 2.201 20 0 BEADMN COc1ccc([C@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250075 187281679 /nfs/dbraw/zinc/28/16/79/187281679.db2.gz YBEXTMZKGVCOAW-JTQLQIEISA-N 0 1 237.299 2.163 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC[C@H]2C[C@H]2C1 ZINC000619363627 343960262 /nfs/dbraw/zinc/96/02/62/343960262.db2.gz ZHXMNGZOXZYRKE-UWVGGRQHSA-N 0 1 241.294 2.045 20 0 BEADMN COCC[C@@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727395 344058417 /nfs/dbraw/zinc/05/84/17/344058417.db2.gz WDGQSKIERSGJEG-SNVBAGLBSA-N 0 1 221.300 2.133 20 0 BEADMN Oc1ccc2c(c1)CN(CC1(O)CCCC1)C2 ZINC000625726949 344058757 /nfs/dbraw/zinc/05/87/57/344058757.db2.gz MLJNUJSYSCWODK-UHFFFAOYSA-N 0 1 233.311 2.013 20 0 BEADMN C/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC000395067751 344059354 /nfs/dbraw/zinc/05/93/54/344059354.db2.gz QMOAZDMAAMGYJT-IHWYPQMZSA-N 0 1 212.274 2.322 20 0 BEADMN FC1(F)CCCN(Cc2cn[nH]c2)CC1 ZINC000625770532 344066607 /nfs/dbraw/zinc/06/66/07/344066607.db2.gz MAYVLGUGLPMXLN-UHFFFAOYSA-N 0 1 215.247 2.031 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)CC2)ncn1 ZINC000625771750 344067819 /nfs/dbraw/zinc/06/78/19/344067819.db2.gz JWTBNBBQXFUTJW-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000570693282 323067439 /nfs/dbraw/zinc/06/74/39/323067439.db2.gz BKRNPYGVRXIFSU-DCAQKATOSA-N 0 1 237.347 2.139 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C)nc1 ZINC000087409893 178631136 /nfs/dbraw/zinc/63/11/36/178631136.db2.gz PGRAJSSMHXGZTG-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN O=C(CN(C1CC1)C1CC1)NC1CCCCC1 ZINC000625837461 344090040 /nfs/dbraw/zinc/09/00/40/344090040.db2.gz PCGZYOLGNWSPRX-UHFFFAOYSA-N 0 1 236.359 2.062 20 0 BEADMN COc1ccnc(CN(C2CC2)C2CC2)c1 ZINC000625838938 344091991 /nfs/dbraw/zinc/09/19/91/344091991.db2.gz MXHMMBWQALYXQL-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN Fc1cncc(CN(C2CC2)C2CC2)c1 ZINC000625843552 344094195 /nfs/dbraw/zinc/09/41/95/344094195.db2.gz YEBPLXOVAPBNLD-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299896558 344120240 /nfs/dbraw/zinc/12/02/40/344120240.db2.gz NZTULVMCKOZMFE-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN Fc1cccc(CN2C[C@@H]3COC[C@@H]3C2)c1F ZINC000634746052 344176004 /nfs/dbraw/zinc/17/60/04/344176004.db2.gz DLGQOMZTPXGQNG-PHIMTYICSA-N 0 1 239.265 2.043 20 0 BEADMN Cc1ccc(NC(=O)c2c(O)cccc2F)cn1 ZINC000130319730 344130828 /nfs/dbraw/zinc/13/08/28/344130828.db2.gz PBPYUSJVKOOGCS-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Fc1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000634747122 344177434 /nfs/dbraw/zinc/17/74/34/344177434.db2.gz YULKYIBDKPLUTJ-PHIMTYICSA-N 0 1 239.265 2.043 20 0 BEADMN COc1cc(F)cc(CNCc2c[nH]nc2C)c1 ZINC000093970456 344150665 /nfs/dbraw/zinc/15/06/65/344150665.db2.gz ZSMGVUAVAWTLLJ-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN Cc1nc(CN(C)C2CCCC2)[nH]c1C ZINC000628125003 344154441 /nfs/dbraw/zinc/15/44/41/344154441.db2.gz GKGKEGJJHSYMTO-UHFFFAOYSA-N 0 1 207.321 2.401 20 0 BEADMN CC(C)(C)OC(=O)[C@@H]1CCCN1CC1CC1 ZINC000130706766 344224388 /nfs/dbraw/zinc/22/43/88/344224388.db2.gz NJKTUZFWCSOHJX-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN Cc1nc(CN[C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000306453173 344191192 /nfs/dbraw/zinc/19/11/92/344191192.db2.gz NVESSPCWQXAUIT-URLYPYJESA-N 0 1 208.330 2.340 20 0 BEADMN Cc1nc(CSC[C@@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000600579494 344295981 /nfs/dbraw/zinc/29/59/81/344295981.db2.gz OORNKMARWUTVTM-ILWJIGKKSA-N 0 1 223.345 2.392 20 0 BEADMN CC[C@@H]1C[C@H]1CNc1nc(C2CC2)ns1 ZINC000387726241 347043372 /nfs/dbraw/zinc/04/33/72/347043372.db2.gz QSCMXKQGGQZUIQ-APPZFPTMSA-N 0 1 223.345 2.295 20 0 BEADMN Cc1nc([C@H](C)S[C@@H]2COC(C)(C)C2)n[nH]1 ZINC000600568433 344282738 /nfs/dbraw/zinc/28/27/38/344282738.db2.gz BWUUDPLTUVFFPD-CBAPKCEASA-N 0 1 241.360 2.475 20 0 BEADMN CCN(Cc1scnc1C)C[C@H]1CCCO1 ZINC000092407778 344295178 /nfs/dbraw/zinc/29/51/78/344295178.db2.gz PSSTXIKJCHMQEY-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCCN(CC(=O)N(C)C)Cc1ccccc1C ZINC000056510984 344332592 /nfs/dbraw/zinc/33/25/92/344332592.db2.gz XLDIQCNLWMRDRD-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN CCc1nc(NC(=O)C2=CCCCCC2)n[nH]1 ZINC000131787649 344333443 /nfs/dbraw/zinc/33/34/43/344333443.db2.gz QAGOFTPVHJQZRQ-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN CCc1n[nH]c(NC(=O)C2=CCCCCC2)n1 ZINC000131787649 344333445 /nfs/dbraw/zinc/33/34/45/344333445.db2.gz QAGOFTPVHJQZRQ-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN O=C(NCCCC1CC1)c1[nH]nc2c1CCCC2 ZINC000119512246 344427802 /nfs/dbraw/zinc/42/78/02/344427802.db2.gz JOJZYJCHYWDUGN-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CCc1nnc(CNCC2(C)CCC2)s1 ZINC000336759881 537845436 /nfs/dbraw/zinc/84/54/36/537845436.db2.gz LFOHVJGVSYKXJH-UHFFFAOYSA-N 0 1 225.361 2.380 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000042307653 344449280 /nfs/dbraw/zinc/44/92/80/344449280.db2.gz AXQNJPJVRZXPNB-SECBINFHSA-N 0 1 241.718 2.493 20 0 BEADMN C[C@@H](O)CN(C)Cc1ccccc1Cl ZINC000042437567 344452951 /nfs/dbraw/zinc/45/29/51/344452951.db2.gz ABUJXZOSTHCYTA-SECBINFHSA-N 0 1 213.708 2.153 20 0 BEADMN CCN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000104950240 344462336 /nfs/dbraw/zinc/46/23/36/344462336.db2.gz PJCNNOFDIAJJAW-ZDUSSCGKSA-N 0 1 220.316 2.083 20 0 BEADMN COC[C@@H](C)NCc1cc(-c2ccccc2)no1 ZINC000622295306 344485901 /nfs/dbraw/zinc/48/59/01/344485901.db2.gz YKOZRCGIPVKIIB-LLVKDONJSA-N 0 1 246.310 2.466 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H](N)c1ccccc1 ZINC000037111697 344488079 /nfs/dbraw/zinc/48/80/79/344488079.db2.gz NUWWYNKBMIBNTQ-CYBMUJFWSA-N 0 1 234.343 2.191 20 0 BEADMN COC(=O)C(C)(C)N(C)CCC1CCC1 ZINC000258736774 344495606 /nfs/dbraw/zinc/49/56/06/344495606.db2.gz HIYOQCCLCZEOLF-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)[C@H]1C ZINC000381278091 344514414 /nfs/dbraw/zinc/51/44/14/344514414.db2.gz XLJOTWUMRDDMBU-VHSKPIJISA-N 0 1 216.288 2.414 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)[C@H]1C ZINC000381278091 344514417 /nfs/dbraw/zinc/51/44/17/344514417.db2.gz XLJOTWUMRDDMBU-VHSKPIJISA-N 0 1 216.288 2.414 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccoc1C ZINC000381619611 344527479 /nfs/dbraw/zinc/52/74/79/344527479.db2.gz YASNKZYEDSCWDA-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@H]2C2CC2)s1 ZINC000336776960 537847753 /nfs/dbraw/zinc/84/77/53/537847753.db2.gz GZUQVTLBNHHLHQ-VHSXEESVSA-N 0 1 237.372 2.379 20 0 BEADMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1CCO ZINC000259088794 344539480 /nfs/dbraw/zinc/53/94/80/344539480.db2.gz QCJFPMHWIORJNK-LBPRGKRZSA-N 0 1 246.310 2.025 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C(C)C)CC1 ZINC000119793094 344549769 /nfs/dbraw/zinc/54/97/69/344549769.db2.gz PRNZPMYFMQKXCT-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1nc(SCc2ccns2)n[nH]1 ZINC000641437537 362419165 /nfs/dbraw/zinc/41/91/65/362419165.db2.gz HZKUAXKWQMPSBM-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1n[nH]c(SCc2ccns2)n1 ZINC000641437537 362419169 /nfs/dbraw/zinc/41/91/69/362419169.db2.gz HZKUAXKWQMPSBM-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CC[C@@H](C)C1 ZINC000577744112 344595141 /nfs/dbraw/zinc/59/51/41/344595141.db2.gz DRPRIJRSDJOZCV-NTZNESFSSA-N 0 1 249.358 2.235 20 0 BEADMN CCc1cnc(CNC2(COC)CCC2)s1 ZINC000309402950 347055646 /nfs/dbraw/zinc/05/56/46/347055646.db2.gz AJGCVPOLJXOJAJ-UHFFFAOYSA-N 0 1 240.372 2.364 20 0 BEADMN CO[C@@H](CC(C)C)CN1CCO[C@@H](CCF)C1 ZINC000626005620 344668221 /nfs/dbraw/zinc/66/82/21/344668221.db2.gz GRLWEMWEVYLKGV-STQMWFEESA-N 0 1 247.354 2.108 20 0 BEADMN CC[C@@](C)(O)CN1Cc2cccc(OC)c2C1 ZINC000626023087 344678314 /nfs/dbraw/zinc/67/83/14/344678314.db2.gz VPCKKAANKOKTGA-CQSZACIVSA-N 0 1 235.327 2.172 20 0 BEADMN Oc1cccc2c1CCN(CCOCC1CC1)C2 ZINC000626026942 344679811 /nfs/dbraw/zinc/67/98/11/344679811.db2.gz FYTFBGYCYFTQIR-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN c1snnc1CNC[C@@H]1CC2CCC1CC2 ZINC000400001625 344747878 /nfs/dbraw/zinc/74/78/78/344747878.db2.gz ALAMDNJZKJFKLB-ILDUYXDCSA-N 0 1 237.372 2.454 20 0 BEADMN COC(=O)C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000259929444 344701796 /nfs/dbraw/zinc/70/17/96/344701796.db2.gz KHQDUCNCOIKHPZ-NSHDSACASA-N 0 1 248.326 2.028 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000309457177 347066962 /nfs/dbraw/zinc/06/69/62/347066962.db2.gz MUZOEMNSYCHEJG-XXILOJSOSA-N 0 1 224.279 2.049 20 0 BEADMN CCCCCN1CCC[C@H]1C(=O)OCC ZINC000050064053 344717792 /nfs/dbraw/zinc/71/77/92/344717792.db2.gz ZURZFDXEXNWETL-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN CCCCCN1CCN(c2nccs2)CC1 ZINC000117871871 344759094 /nfs/dbraw/zinc/75/90/94/344759094.db2.gz DOBACXJLTRMYMZ-UHFFFAOYSA-N 0 1 239.388 2.455 20 0 BEADMN CCc1cnc(CN(C)[C@H](C)C2CC2)o1 ZINC000075614830 344780506 /nfs/dbraw/zinc/78/05/06/344780506.db2.gz YRJHSLFTPCDCLH-SECBINFHSA-N 0 1 208.305 2.467 20 0 BEADMN CN1CCN(C(=O)/C=C\C(C)(C)C)CC1(C)C ZINC000493550277 530066072 /nfs/dbraw/zinc/06/60/72/530066072.db2.gz HTFMFLCGCYPGAR-FPLPWBNLSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000153115756 344753369 /nfs/dbraw/zinc/75/33/69/344753369.db2.gz LHPXSRFTYLZXDR-INTQDDNPSA-N 0 1 221.304 2.171 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000153115870 344753515 /nfs/dbraw/zinc/75/35/15/344753515.db2.gz LHPXSRFTYLZXDR-FBIMIBRVSA-N 0 1 221.304 2.171 20 0 BEADMN C[C@@H]1CN(Cc2ccccn2)C[C@@H](C)S1 ZINC000075891763 344787035 /nfs/dbraw/zinc/78/70/35/344787035.db2.gz OIIMENANNOWAAH-GHMZBOCLSA-N 0 1 222.357 2.407 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2CCC[C@@H]2C)[nH]1 ZINC000187691333 259381028 /nfs/dbraw/zinc/38/10/28/259381028.db2.gz GDKQWOGBMZOYBJ-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2CCC[C@@H]2C)n1 ZINC000187691333 259381030 /nfs/dbraw/zinc/38/10/30/259381030.db2.gz GDKQWOGBMZOYBJ-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCc2ccco2)n1 ZINC000075761065 344791266 /nfs/dbraw/zinc/79/12/66/344791266.db2.gz IQHDOZRXENFVMI-NSHDSACASA-N 0 1 249.314 2.494 20 0 BEADMN Cc1noc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000075769199 344791722 /nfs/dbraw/zinc/79/17/22/344791722.db2.gz OZNCCZGSTJHKGK-QWRGUYRKSA-N 0 1 221.304 2.143 20 0 BEADMN COCc1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000076110672 344795178 /nfs/dbraw/zinc/79/51/78/344795178.db2.gz HWFFENSXZFAXIK-AOOOYVTPSA-N 0 1 240.372 2.377 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H](C)[C@H](C)C2)o1 ZINC000076112782 344796209 /nfs/dbraw/zinc/79/62/09/344796209.db2.gz PJLHVQNIBKMZAW-BBBLOLIVSA-N 0 1 223.320 2.281 20 0 BEADMN COCCCN1CCOC[C@@H]1c1ccccc1 ZINC000076119237 344797498 /nfs/dbraw/zinc/79/74/98/344797498.db2.gz ISNUCVUMBLIDIU-CQSZACIVSA-N 0 1 235.327 2.096 20 0 BEADMN OCCCCCN1CCOC[C@H]1c1ccccc1 ZINC000076118872 344797685 /nfs/dbraw/zinc/79/76/85/344797685.db2.gz OYTFDQHEHPZWGA-HNNXBMFYSA-N 0 1 249.354 2.223 20 0 BEADMN CC(C)SCc1nc([C@@H]2CCCN2)no1 ZINC000309495976 347077430 /nfs/dbraw/zinc/07/74/30/347077430.db2.gz KEXORHPJLGPWAA-QMMMGPOBSA-N 0 1 227.333 2.136 20 0 BEADMN CC(C)SCc1nc([C@H]2CCCN2)no1 ZINC000309495974 347077605 /nfs/dbraw/zinc/07/76/05/347077605.db2.gz KEXORHPJLGPWAA-MRVPVSSYSA-N 0 1 227.333 2.136 20 0 BEADMN Cc1c[nH]c(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000628140696 344802975 /nfs/dbraw/zinc/80/29/75/344802975.db2.gz UXUXWWMDIRBCBO-SNVBAGLBSA-N 0 1 219.332 2.481 20 0 BEADMN CC(C)[N@@H+](CCC(F)(F)F)C[C@H](C)O ZINC000077283507 344815095 /nfs/dbraw/zinc/81/50/95/344815095.db2.gz XDLFABWADNTVHX-QMMMGPOBSA-N 0 1 213.243 2.030 20 0 BEADMN C[C@H](NCC1(CO)CC2(CCC2)C1)c1ncc[nH]1 ZINC000560538532 344816750 /nfs/dbraw/zinc/81/67/50/344816750.db2.gz UJUVWUIRPFZNHJ-NSHDSACASA-N 0 1 249.358 2.003 20 0 BEADMN CC[C@H](C)C[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000050427011 344819742 /nfs/dbraw/zinc/81/97/42/344819742.db2.gz AJGATSOBMSQPBX-UWVGGRQHSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000628160425 344856688 /nfs/dbraw/zinc/85/66/88/344856688.db2.gz UPCXZJISZZLJIM-ONGXEEELSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000119704750 344860356 /nfs/dbraw/zinc/86/03/56/344860356.db2.gz SODFCSGQMHPLEK-YPMHNXCESA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cnnn1C ZINC000564498185 344870835 /nfs/dbraw/zinc/87/08/35/344870835.db2.gz PCXNBQRVNPMFEN-WCQYABFASA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000583392900 344879290 /nfs/dbraw/zinc/87/92/90/344879290.db2.gz SYPLWPGDEXHPFD-UHFFFAOYSA-N 0 1 211.305 2.114 20 0 BEADMN CCCCN(C(=O)c1ccn[nH]1)[C@H](C)CC ZINC000078842950 344913225 /nfs/dbraw/zinc/91/32/25/344913225.db2.gz SMWSXVCQNHXMNH-SNVBAGLBSA-N 0 1 223.320 2.451 20 0 BEADMN CC[C@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000078657358 344892332 /nfs/dbraw/zinc/89/23/32/344892332.db2.gz OXXBCVJQUVTLKY-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC000249116852 537871105 /nfs/dbraw/zinc/87/11/05/537871105.db2.gz SKAXGMBKNFXYEQ-UTUOFQBUSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1nc(CN2CCC(C)(C)C2)[nH]c1C ZINC000628172649 344892908 /nfs/dbraw/zinc/89/29/08/344892908.db2.gz PQMZIJTWCRRZGT-UHFFFAOYSA-N 0 1 207.321 2.258 20 0 BEADMN CC(C)CONC(=O)c1ccc(Cl)cc1O ZINC000124526017 187295599 /nfs/dbraw/zinc/29/55/99/187295599.db2.gz FTDFNDCFRRLHLS-UHFFFAOYSA-N 0 1 243.690 2.363 20 0 BEADMN CC[C@@H]1CN(Cc2cnc(C)o2)CCS1 ZINC000628179323 344914108 /nfs/dbraw/zinc/91/41/08/344914108.db2.gz WCOBVEBCDDMWMI-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN CCNC(=O)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000078873189 344916282 /nfs/dbraw/zinc/91/62/82/344916282.db2.gz LPNPEWDUNKRJEG-CQSZACIVSA-N 0 1 246.354 2.268 20 0 BEADMN CCCCC[N@@H+](CCO)Cc1ccc(C)nc1 ZINC000153729838 344963568 /nfs/dbraw/zinc/96/35/68/344963568.db2.gz SHQWBWPGBYXNKJ-UHFFFAOYSA-N 0 1 236.359 2.375 20 0 BEADMN CCc1nc(CN(C)C[C@H]2CCOC2)cs1 ZINC000122219896 344951223 /nfs/dbraw/zinc/95/12/23/344951223.db2.gz AJRROUZQUNPKFY-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN Cn1cncc1CN1CC(C2CCCCC2)C1 ZINC000334646611 187299300 /nfs/dbraw/zinc/29/93/00/187299300.db2.gz JUNMWHADCKIMKX-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN COC(C)(C)CC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000310072972 323083115 /nfs/dbraw/zinc/08/31/15/323083115.db2.gz ADCZHGDUFLAOLY-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H](C)[C@H]1C ZINC000156058673 345122696 /nfs/dbraw/zinc/12/26/96/345122696.db2.gz GBQUQXUJTVXVRR-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1cccnc1CCCNCc1ccon1 ZINC000634982841 345164067 /nfs/dbraw/zinc/16/40/67/345164067.db2.gz XSBCPIJRUWBTQS-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN C[C@H](CF)NCc1ccc2nccnc2c1 ZINC000634981013 345164618 /nfs/dbraw/zinc/16/46/18/345164618.db2.gz UNYJKJMLLFGFKZ-SECBINFHSA-N 0 1 219.263 2.077 20 0 BEADMN c1cc(CN[C@@H](C2CC2)[C@H]2CCCCO2)no1 ZINC000634985449 345164884 /nfs/dbraw/zinc/16/48/84/345164884.db2.gz UDJMXBRZIJOPGW-OLZOCXBDSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@]1(CCNCc2ccon2)CC1(F)F ZINC000634985798 345165207 /nfs/dbraw/zinc/16/52/07/345165207.db2.gz CTUJFTWUMSIOFZ-VIFPVBQESA-N 0 1 216.231 2.200 20 0 BEADMN CC(C)[C@@H]1OCCC[C@H]1CNCc1ccon1 ZINC000634967282 345142907 /nfs/dbraw/zinc/14/29/07/345142907.db2.gz KKDMKVPDNKZMCJ-AAEUAGOBSA-N 0 1 238.331 2.215 20 0 BEADMN FC1(F)CCC[C@@H](NCc2ccon2)C1 ZINC000634969069 345146584 /nfs/dbraw/zinc/14/65/84/345146584.db2.gz DTHQBKSCUTWSTK-MRVPVSSYSA-N 0 1 216.231 2.342 20 0 BEADMN CC(C)C[C@@H]1C[C@@H](NCc2ccon2)CCO1 ZINC000634974945 345150365 /nfs/dbraw/zinc/15/03/65/345150365.db2.gz NUDYBYVXXVVNPU-WCQYABFASA-N 0 1 238.331 2.358 20 0 BEADMN Cc1csc([C@@H](C)CNCc2ccon2)n1 ZINC000634975914 345150681 /nfs/dbraw/zinc/15/06/81/345150681.db2.gz JUUMRZNHUCIPPQ-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN COC1CCC(CCNCc2ccon2)CC1 ZINC000634975614 345150776 /nfs/dbraw/zinc/15/07/76/345150776.db2.gz CEZUFTUBQCNXRB-UHFFFAOYSA-N 0 1 238.331 2.360 20 0 BEADMN CO[C@H](C)CNCc1nc2cc(F)ccc2o1 ZINC000634978004 345154444 /nfs/dbraw/zinc/15/44/44/345154444.db2.gz QGXFABNJDPMKBO-MRVPVSSYSA-N 0 1 238.262 2.091 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)NCc2ccon2)n[nH]1 ZINC000634977800 345154626 /nfs/dbraw/zinc/15/46/26/345154626.db2.gz KYOVMXFHBOXVSW-DTWKUNHWSA-N 0 1 249.318 2.157 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1cnccc1N ZINC000127871359 345224600 /nfs/dbraw/zinc/22/46/00/345224600.db2.gz ZSHWKJARLYDAHC-JTQLQIEISA-N 0 1 235.331 2.218 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1cccc(F)c1F ZINC000128333862 345230407 /nfs/dbraw/zinc/23/04/07/345230407.db2.gz DADXPMPZUWNCJT-WDEREUQCSA-N 0 1 241.281 2.214 20 0 BEADMN Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000635059165 345232607 /nfs/dbraw/zinc/23/26/07/345232607.db2.gz QBBMMYRIMFYODZ-VXGBXAGGSA-N 0 1 241.294 2.460 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635077627 345241326 /nfs/dbraw/zinc/24/13/26/345241326.db2.gz IEYIUKLUALUXCA-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635077629 345241533 /nfs/dbraw/zinc/24/15/33/345241533.db2.gz IEYIUKLUALUXCA-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635089655 345244472 /nfs/dbraw/zinc/24/44/72/345244472.db2.gz QOQAIHVYXGJLBA-ZDUSSCGKSA-N 0 1 238.375 2.308 20 0 BEADMN CSc1ccc(NC(=O)[C@@H](C)N(C)C)cc1 ZINC000635141178 345257165 /nfs/dbraw/zinc/25/71/65/345257165.db2.gz OVQKYWFVKXFGHR-SECBINFHSA-N 0 1 238.356 2.297 20 0 BEADMN CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H](C)C(=O)[O-] ZINC000635018924 345222249 /nfs/dbraw/zinc/22/22/49/345222249.db2.gz RNUXYTAKUVFZKS-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635188651 345268037 /nfs/dbraw/zinc/26/80/37/345268037.db2.gz KTPKGQXEUOZZML-DGCLKSJQSA-N 0 1 238.375 2.308 20 0 BEADMN CC[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635225624 345278749 /nfs/dbraw/zinc/27/87/49/345278749.db2.gz YHROPLMCLZTICN-DGCLKSJQSA-N 0 1 234.343 2.204 20 0 BEADMN CC(C)c1ccc(CNC(=O)[C@@H](C)N(C)C)cc1 ZINC000635228841 345279041 /nfs/dbraw/zinc/27/90/41/345279041.db2.gz GWMMOHSBLYNLKP-GFCCVEGCSA-N 0 1 248.370 2.376 20 0 BEADMN C[C@H](C(=O)NCCC1CCCCC1)N(C)C ZINC000635257575 345288650 /nfs/dbraw/zinc/28/86/50/345288650.db2.gz HNCBMZZHWFXJOK-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635271386 345292778 /nfs/dbraw/zinc/29/27/78/345292778.db2.gz PSKCGMCDEPLBCK-IJLUTSLNSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC000635282512 345294783 /nfs/dbraw/zinc/29/47/83/345294783.db2.gz XOSFMEVTFSBOMQ-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCCCNC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113107 345299917 /nfs/dbraw/zinc/29/99/17/345299917.db2.gz FJVVYWKAAYBEFN-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN Cc1nc2ccccn2c1C[N@@H+](C)CC1CC1 ZINC000158537526 345346388 /nfs/dbraw/zinc/34/63/88/345346388.db2.gz FGSVAILJYUOVGB-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN C[C@H](C(=O)Nc1ccc2ccn(C)c2c1)N(C)C ZINC000635410178 345350646 /nfs/dbraw/zinc/35/06/46/345350646.db2.gz CYTHWOCPJIADLG-SNVBAGLBSA-N 0 1 245.326 2.067 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000575316658 345356598 /nfs/dbraw/zinc/35/65/98/345356598.db2.gz OVPHVEFCHRAXHL-RWMBFGLXSA-N 0 1 234.343 2.388 20 0 BEADMN Cc1cnccc1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000575316658 345356600 /nfs/dbraw/zinc/35/66/00/345356600.db2.gz OVPHVEFCHRAXHL-RWMBFGLXSA-N 0 1 234.343 2.388 20 0 BEADMN C[C@H](C(=O)Nc1cccc2c1ccn2C)N(C)C ZINC000635477826 345388736 /nfs/dbraw/zinc/38/87/36/345388736.db2.gz CKKMDIPWCSYFAR-SNVBAGLBSA-N 0 1 245.326 2.067 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635420704 345360434 /nfs/dbraw/zinc/36/04/34/345360434.db2.gz SARFYEHIXRBPOS-LNFKQOIKSA-N 0 1 235.331 2.064 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635420705 345360445 /nfs/dbraw/zinc/36/04/45/345360445.db2.gz SARFYEHIXRBPOS-UKKRHICBSA-N 0 1 235.331 2.064 20 0 BEADMN C[C@H](C(=O)N1CCC[C@H]1CC(C)(C)C)N(C)C ZINC000635453275 345378868 /nfs/dbraw/zinc/37/88/68/345378868.db2.gz ONXSYIAZKWNSBK-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2ccc(C)cc21 ZINC000635453461 345379192 /nfs/dbraw/zinc/37/91/92/345379192.db2.gz NROXCNCSDNJFDW-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN CCCC(C)(C)NC(=O)[C@@H]1CCCCN1C ZINC000635457221 345380185 /nfs/dbraw/zinc/38/01/85/345380185.db2.gz YMTLPZFMUIEVMP-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158875427 345383894 /nfs/dbraw/zinc/38/38/94/345383894.db2.gz OAUWRXRTTQQLAV-UPJWGTAASA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H]1CCCN(Cc2n[nH]c(CC)n2)C1 ZINC000158895140 345385044 /nfs/dbraw/zinc/38/50/44/345385044.db2.gz NJHKGWXYBDEZQM-LLVKDONJSA-N 0 1 236.363 2.379 20 0 BEADMN Cc1ccc([C@@H](C)N[C@H](CO)CC(F)F)o1 ZINC000336741241 178848892 /nfs/dbraw/zinc/84/88/92/178848892.db2.gz NAMOXOXVWIIREJ-BDAKNGLRSA-N 0 1 233.258 2.255 20 0 BEADMN Cc1nnc([C@H](C)N2CCCC3(CC3)CC2)[nH]1 ZINC000626115128 345328847 /nfs/dbraw/zinc/32/88/47/345328847.db2.gz GTZXFVGDODRBFK-JTQLQIEISA-N 0 1 234.347 2.440 20 0 BEADMN C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1O ZINC000159406036 345432197 /nfs/dbraw/zinc/43/21/97/345432197.db2.gz CHHNDTQRRILDAT-MNOINKQASA-N 0 1 231.339 2.403 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1nccc(N)n1 ZINC000135162741 345434223 /nfs/dbraw/zinc/43/42/23/345434223.db2.gz KWKMKUUBWFBDOF-GFCCVEGCSA-N 0 1 248.374 2.459 20 0 BEADMN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C ZINC000635488564 345393480 /nfs/dbraw/zinc/39/34/80/345393480.db2.gz XJHDESOACQRCMQ-OCCSQVGLSA-N 0 1 248.370 2.074 20 0 BEADMN CCN(Cc1ccccc1C)[C@@H](C)C(=O)N(C)C ZINC000133987899 345394339 /nfs/dbraw/zinc/39/43/39/345394339.db2.gz HHZUCKKBHJOWTN-ZDUSSCGKSA-N 0 1 248.370 2.294 20 0 BEADMN CCCC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635487227 345395325 /nfs/dbraw/zinc/39/53/25/345395325.db2.gz LGZXQAZDTYWHDH-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635500417 345399674 /nfs/dbraw/zinc/39/96/74/345399674.db2.gz PFUQDFHVGFBJER-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635500360 345399685 /nfs/dbraw/zinc/39/96/85/345399685.db2.gz PFUQDFHVGFBJER-AGIUHOORSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635498097 345401272 /nfs/dbraw/zinc/40/12/72/345401272.db2.gz SEHFZMALRZTMEI-AGIUHOORSA-N 0 1 240.391 2.268 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC000051322658 345401400 /nfs/dbraw/zinc/40/14/00/345401400.db2.gz RURXWISGZYBSFP-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378688969 345474428 /nfs/dbraw/zinc/47/44/28/345474428.db2.gz XWVVEBXSAKGOTR-SSDOTTSWSA-N 0 1 228.317 2.072 20 0 BEADMN CC(C)(C)c1n[nH]c(SCCF)n1 ZINC000336649559 187305646 /nfs/dbraw/zinc/30/56/46/187305646.db2.gz HCYWWTYHPAVGFE-UHFFFAOYSA-N 0 1 203.286 2.164 20 0 BEADMN CC(C)(C)c1nc(SCCF)n[nH]1 ZINC000336649559 187305648 /nfs/dbraw/zinc/30/56/48/187305648.db2.gz HCYWWTYHPAVGFE-UHFFFAOYSA-N 0 1 203.286 2.164 20 0 BEADMN Cc1csc(CN2CC[C@@H](CO)C[C@H]2C)n1 ZINC000626118667 345478056 /nfs/dbraw/zinc/47/80/56/345478056.db2.gz HHMPDNMYNNZMNI-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)(O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000081648392 345483172 /nfs/dbraw/zinc/48/31/72/345483172.db2.gz AVTDHUHEGNJQBO-CQSZACIVSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)(O)CCN1CCO[C@@H](c2ccccc2)C1 ZINC000081648392 345483174 /nfs/dbraw/zinc/48/31/74/345483174.db2.gz AVTDHUHEGNJQBO-CQSZACIVSA-N 0 1 249.354 2.221 20 0 BEADMN COc1cccc(CN2CCC23CCC3)n1 ZINC000081516027 345483523 /nfs/dbraw/zinc/48/35/23/345483523.db2.gz PISQNJFPOLUCLU-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN CC[C@H](NCC(C)(F)F)C1CCOCC1 ZINC000378775169 345561597 /nfs/dbraw/zinc/56/15/97/345561597.db2.gz DSQXGHFZWWKPTF-JTQLQIEISA-N 0 1 221.291 2.436 20 0 BEADMN CC(C)=CCN1CCC(O)(C(F)(F)F)CC1 ZINC000089969607 345562334 /nfs/dbraw/zinc/56/23/34/345562334.db2.gz YJOXUHNXZLBGJT-UHFFFAOYSA-N 0 1 237.265 2.342 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635545477 345568518 /nfs/dbraw/zinc/56/85/18/345568518.db2.gz CKESKZLQGFKJRF-GMTAPVOTSA-N 0 1 235.331 2.018 20 0 BEADMN CC[C@@H](C(=O)N1CCc2cc(C)ccc21)N(C)C ZINC000091104110 345587874 /nfs/dbraw/zinc/58/78/74/345587874.db2.gz SRJHASXQTMPQPZ-ZDUSSCGKSA-N 0 1 246.354 2.224 20 0 BEADMN CN1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000093158575 345658330 /nfs/dbraw/zinc/65/83/30/345658330.db2.gz ZUCAKIFOEZWAQT-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CC[C@H](C)[C@H]2C)cc1 ZINC000262634558 178905411 /nfs/dbraw/zinc/90/54/11/178905411.db2.gz HQPDWQKBSJTQRP-SCRDCRAPSA-N 0 1 246.354 2.252 20 0 BEADMN COc1ccccc1C[N@@H+]1CCN(C)CC1(C)C ZINC000093457407 345671519 /nfs/dbraw/zinc/67/15/19/345671519.db2.gz GKAFKJOKWKBYEB-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN C[N@@H+]1CCN(Cc2cccs2)C(C)(C)C1 ZINC000093457255 345671671 /nfs/dbraw/zinc/67/16/71/345671671.db2.gz XHDDVQPBIJQKMQ-UHFFFAOYSA-N 0 1 224.373 2.274 20 0 BEADMN Clc1ccccc1CSCc1nn[nH]n1 ZINC000095167142 345681967 /nfs/dbraw/zinc/68/19/67/345681967.db2.gz VOIIPOSWUYTYNR-UHFFFAOYSA-N 0 1 240.719 2.287 20 0 BEADMN Cc1ccnc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000095862810 345685806 /nfs/dbraw/zinc/68/58/06/345685806.db2.gz AWDSGBFRUXOLAY-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CC[N@@H+](C/C=C\c1ccccc1)CC(=O)[O-] ZINC000213421775 345741066 /nfs/dbraw/zinc/74/10/66/345741066.db2.gz UOIWJNMJWSVAAY-TWGQIWQCSA-N 0 1 219.284 2.106 20 0 BEADMN Cc1cc2ccccc2nc1N1CCN(C)CC1 ZINC000196806906 345725167 /nfs/dbraw/zinc/72/51/67/345725167.db2.gz NGOJLMGSZRFWJY-UHFFFAOYSA-N 0 1 241.338 2.295 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000207911197 345735126 /nfs/dbraw/zinc/73/51/26/345735126.db2.gz YJIAYLBLXCAVTM-CABZTGNLSA-N 0 1 237.274 2.436 20 0 BEADMN CC(C)c1noc(C23CCCN2CCC3)n1 ZINC000150315883 345738006 /nfs/dbraw/zinc/73/80/06/345738006.db2.gz CZDGBZCQVVWWAJ-UHFFFAOYSA-N 0 1 221.304 2.278 20 0 BEADMN CC1(C)C[C@H]1NCc1cnc(C2CC2)o1 ZINC000628208686 345786820 /nfs/dbraw/zinc/78/68/20/345786820.db2.gz YDTHWPVSRRWFHV-SNVBAGLBSA-N 0 1 206.289 2.440 20 0 BEADMN C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)[C@H]1C ZINC000393429327 323096346 /nfs/dbraw/zinc/09/63/46/323096346.db2.gz PTTOMEGLLDVEKB-WEDXCCLWSA-N 0 1 227.739 2.208 20 0 BEADMN CCCCN(CCCC)C(=O)c1cnc[nH]1 ZINC000141884590 345852477 /nfs/dbraw/zinc/85/24/77/345852477.db2.gz NXMKAQZBIYXNSD-UHFFFAOYSA-N 0 1 223.320 2.452 20 0 BEADMN C[C@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)N(C)C ZINC000635572315 345829424 /nfs/dbraw/zinc/82/94/24/345829424.db2.gz IYDDSFQZIFHSOK-JHJVBQTASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)N(C)C ZINC000635575665 345838520 /nfs/dbraw/zinc/83/85/20/345838520.db2.gz KDEWMLKRRJUEEL-LPWJVIDDSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635604719 345888940 /nfs/dbraw/zinc/88/89/40/345888940.db2.gz WJBSBLZKGIKJGR-IRCOFANPSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CCCCN1C ZINC000635604749 345889938 /nfs/dbraw/zinc/88/99/38/345889938.db2.gz WUBCORXOAWKZKI-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635619511 345892847 /nfs/dbraw/zinc/89/28/47/345892847.db2.gz KZNUHCWGKCOOOM-JHJVBQTASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000172692327 345877437 /nfs/dbraw/zinc/87/74/37/345877437.db2.gz WDHGIMOXNMOLHL-LBPRGKRZSA-N 0 1 210.365 2.345 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635583935 345879602 /nfs/dbraw/zinc/87/96/02/345879602.db2.gz BTAKJLKARQGOSM-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCc1cccc(CN(CC(N)=O)C(C)C)c1 ZINC000186823232 187311532 /nfs/dbraw/zinc/31/15/32/187311532.db2.gz TXZJLOAFXQSJBK-UHFFFAOYSA-N 0 1 248.370 2.335 20 0 BEADMN Cc1csc(CN[C@@H]2CSC2(C)C)n1 ZINC000282867582 187360806 /nfs/dbraw/zinc/36/08/06/187360806.db2.gz QUQRTSJIXIUOJX-MRVPVSSYSA-N 0 1 228.386 2.435 20 0 BEADMN C[C@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635632863 345911210 /nfs/dbraw/zinc/91/12/10/345911210.db2.gz VEZKOZDZOZMUMA-NNYUYHANSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000144039915 345915544 /nfs/dbraw/zinc/91/55/44/345915544.db2.gz HRIPEAXSDSFLLJ-WDEREUQCSA-N 0 1 242.363 2.241 20 0 BEADMN CCC(CC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000144668446 345923413 /nfs/dbraw/zinc/92/34/13/345923413.db2.gz JOAPXSLYPFWRAG-UHFFFAOYSA-N 0 1 245.326 2.410 20 0 BEADMN CCCC[C@H](CC)CCN1CCNC(=O)[C@@H]1C ZINC000437690111 537925185 /nfs/dbraw/zinc/92/51/85/537925185.db2.gz UZCNQXUTAVQSTC-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ncc(CN[C@@H](C)Cc2c(C)noc2C)o1 ZINC000628218084 345948392 /nfs/dbraw/zinc/94/83/92/345948392.db2.gz SYHBKGODAMGWPK-QMMMGPOBSA-N 0 1 249.314 2.309 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635677440 345974508 /nfs/dbraw/zinc/97/45/08/345974508.db2.gz SDPLFVRZRFBFOA-DDHJBXDOSA-N 0 1 247.342 2.208 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635677811 345974702 /nfs/dbraw/zinc/97/47/02/345974702.db2.gz WAOVXGBIGQRDOX-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CCCC1(C(=O)NCc2cnc(CC)[nH]2)CC1 ZINC001639092807 1172070428 /nfs/dbraw/zinc/07/04/28/1172070428.db2.gz BWFXPQNNUJYLGF-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635704204 345990434 /nfs/dbraw/zinc/99/04/34/345990434.db2.gz FNTBZKLVDJQQIC-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)C(F)F ZINC000684343083 488296652 /nfs/dbraw/zinc/29/66/52/488296652.db2.gz CXNFHQJZZMPHDQ-RKDXNWHRSA-N 0 1 248.317 2.019 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000635761844 346054082 /nfs/dbraw/zinc/05/40/82/346054082.db2.gz CSFOJPBFKNBZRK-CHWSQXEVSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@H](C(=O)NCC(C)(C)C1CCCC1)N(C)C ZINC000635728598 346039129 /nfs/dbraw/zinc/03/91/29/346039129.db2.gz CTYWPQMARHKNDE-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCC1CC(C)(C)C1 ZINC000635835548 346081073 /nfs/dbraw/zinc/08/10/73/346081073.db2.gz VTJRKAKYQRSRNI-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC[C@H](C)CC1)N(C)C ZINC000635837059 346081608 /nfs/dbraw/zinc/08/16/08/346081608.db2.gz ATDZFSASDFRUQV-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN C=Cn1cc(CN2CCS[C@H](CC)C2)cn1 ZINC000193977979 187315129 /nfs/dbraw/zinc/31/51/29/187315129.db2.gz PMLMZGRVIJCOMO-GFCCVEGCSA-N 0 1 237.372 2.311 20 0 BEADMN Cc1cc2cc[nH]c2cc1NC(=O)[C@@H](C)N(C)C ZINC000635832462 346086060 /nfs/dbraw/zinc/08/60/60/346086060.db2.gz XIUROLAZUSJUKZ-SNVBAGLBSA-N 0 1 245.326 2.365 20 0 BEADMN C[C@H](CC1CCCCC1)NC(=O)[C@@H](C)N(C)C ZINC000635864308 346097301 /nfs/dbraw/zinc/09/73/01/346097301.db2.gz HEIQLCIYHSNGBT-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)N(C)C ZINC000635885545 346102062 /nfs/dbraw/zinc/10/20/62/346102062.db2.gz BZNHJRHWAQWCMQ-XQHKEYJVSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)C ZINC000635885546 346102095 /nfs/dbraw/zinc/10/20/95/346102095.db2.gz BZNHJRHWAQWCMQ-YVECIDJPSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000635892831 346103887 /nfs/dbraw/zinc/10/38/87/346103887.db2.gz DCNCLTRCAMLSTK-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635892856 346104188 /nfs/dbraw/zinc/10/41/88/346104188.db2.gz DMEAZWMIQCALAB-DDHJBXDOSA-N 0 1 247.342 2.066 20 0 BEADMN CC[C@H]1CCCC[C@H]1CNC(=O)[C@@H](C)N(C)C ZINC000635978934 346129648 /nfs/dbraw/zinc/12/96/48/346129648.db2.gz XMRINLKFWVPFGL-AGIUHOORSA-N 0 1 240.391 2.269 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC000563274138 323107333 /nfs/dbraw/zinc/10/73/33/323107333.db2.gz KCKUAYZZCKMSBV-GFCCVEGCSA-N 0 1 223.316 2.426 20 0 BEADMN CC[C@H](NC(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000636002268 346151147 /nfs/dbraw/zinc/15/11/47/346151147.db2.gz XWBLTZKHXFCQQE-PWSUYJOCSA-N 0 1 226.364 2.022 20 0 BEADMN CCc1cccc(N(C)C(=O)[C@@H](C)N(C)C)c1 ZINC000636015274 346156271 /nfs/dbraw/zinc/15/62/71/346156271.db2.gz XMKPMLHEDZTENQ-LLVKDONJSA-N 0 1 234.343 2.162 20 0 BEADMN CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000636021393 346159057 /nfs/dbraw/zinc/15/90/57/346159057.db2.gz OFQRUFGVSSEBJW-YPMHNXCESA-N 0 1 240.391 2.412 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@]1(C)CC=CCC1 ZINC000636020660 346159342 /nfs/dbraw/zinc/15/93/42/346159342.db2.gz FUGPJACFMRONBP-GXTWGEPZSA-N 0 1 236.359 2.086 20 0 BEADMN CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1CCC1 ZINC000636022126 346159665 /nfs/dbraw/zinc/15/96/65/346159665.db2.gz VIHYHUOUROAMTL-PWSUYJOCSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC(C)(C)CNCc1cnc(C2CC2)o1 ZINC000628243999 346208511 /nfs/dbraw/zinc/20/85/11/346208511.db2.gz OXTSVJZLHXBCPK-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1cnc(C2CC2)o1 ZINC000628237161 346193123 /nfs/dbraw/zinc/19/31/23/346193123.db2.gz DFNIPOYJDZAIKV-NOZJJQNGSA-N 0 1 236.315 2.209 20 0 BEADMN C(=C/c1ccccc1)\CCOCCc1c[nH]nn1 ZINC000419053944 192098900 /nfs/dbraw/zinc/09/89/00/192098900.db2.gz KXPFHFHYWWAOOH-XBXARRHUSA-N 0 1 243.310 2.467 20 0 BEADMN C(=C\c1ccccc1)\CCOCCc1c[nH]nn1 ZINC000419053946 192098733 /nfs/dbraw/zinc/09/87/33/192098733.db2.gz KXPFHFHYWWAOOH-YWEYNIOJSA-N 0 1 243.310 2.467 20 0 BEADMN CC(C)c1cc(C(=O)N(C)CC2CCC2)n[nH]1 ZINC000111069795 187317034 /nfs/dbraw/zinc/31/70/34/187317034.db2.gz FSNQZMXXTFGBRP-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC(C)N(C)CC(=O)N(C)c1ccc(F)cc1 ZINC000354504437 187317165 /nfs/dbraw/zinc/31/71/65/187317165.db2.gz ZUJJSLNKXGDROH-UHFFFAOYSA-N 0 1 238.306 2.129 20 0 BEADMN Cc1c[nH]c(CN(CC2CC2)C2CCC2)n1 ZINC000628256832 346255826 /nfs/dbraw/zinc/25/58/26/346255826.db2.gz NVGBVPPHZBZDKJ-UHFFFAOYSA-N 0 1 219.332 2.483 20 0 BEADMN COCC1(NCc2cnc(C3CC3)o2)CCC1 ZINC000628265717 346265160 /nfs/dbraw/zinc/26/51/60/346265160.db2.gz OGVOACJLULHSLA-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CCC3)CC2)n1 ZINC000628275006 346285322 /nfs/dbraw/zinc/28/53/22/346285322.db2.gz WPDCXHRWQJEKHQ-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN C/C=C\C[C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000626161667 346268583 /nfs/dbraw/zinc/26/85/83/346268583.db2.gz HJSDSURTZWPTQQ-QUCGXOGASA-N 0 1 211.305 2.139 20 0 BEADMN C/C=C\C[C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000626161666 346268632 /nfs/dbraw/zinc/26/86/32/346268632.db2.gz HJSDSURTZWPTQQ-OTDNITJGSA-N 0 1 211.305 2.139 20 0 BEADMN C/C=C\C[C@@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC000626164812 346272554 /nfs/dbraw/zinc/27/25/54/346272554.db2.gz RKWNTCZSPBEOTO-HSBHDXMMSA-N 0 1 248.374 2.476 20 0 BEADMN C/C=C\C[C@@H]1CCCN(Cc2cnnn2CC)C1 ZINC000626164812 346272558 /nfs/dbraw/zinc/27/25/58/346272558.db2.gz RKWNTCZSPBEOTO-HSBHDXMMSA-N 0 1 248.374 2.476 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc(C2CC2)o1 ZINC000628276250 346286460 /nfs/dbraw/zinc/28/64/60/346286460.db2.gz XNVGVGDSBQGXME-VIFPVBQESA-N 0 1 224.304 2.019 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cccc(C)c1C ZINC000037990332 179020272 /nfs/dbraw/zinc/02/02/72/179020272.db2.gz GYQQYENTMBWLJI-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1cc(C)on1 ZINC000048070799 323114644 /nfs/dbraw/zinc/11/46/44/323114644.db2.gz LEXYTKNWPGAIIF-SECBINFHSA-N 0 1 239.319 2.042 20 0 BEADMN C[C@@H](C(=O)NCC[C@@H]1CCCC1(C)C)N(C)C ZINC000628270510 346280373 /nfs/dbraw/zinc/28/03/73/346280373.db2.gz ISOSFUCPMQOEFC-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](C)C1 ZINC000636056840 346303707 /nfs/dbraw/zinc/30/37/07/346303707.db2.gz AQUDAAPBSQBWEX-DDHJBXDOSA-N 0 1 247.342 2.160 20 0 BEADMN Cc1cscc1CNCc1ccncc1N ZINC000641751790 362680144 /nfs/dbraw/zinc/68/01/44/362680144.db2.gz YAMFMOBFYCEJNC-UHFFFAOYSA-N 0 1 233.340 2.324 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC000636066378 346306296 /nfs/dbraw/zinc/30/62/96/346306296.db2.gz BRHJRXMBYIOTHD-GFCCVEGCSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1nc(C)c(CNc2cccc3[nH]nnc32)o1 ZINC000641758701 362688123 /nfs/dbraw/zinc/68/81/23/362688123.db2.gz RBLUEFURNCWZDY-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000636129504 346330831 /nfs/dbraw/zinc/33/08/31/346330831.db2.gz UFHZGOHOHJCKNF-OPRDCNLKSA-N 0 1 235.331 2.064 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cn[nH]c2C)oc1C ZINC000636067965 346309280 /nfs/dbraw/zinc/30/92/80/346309280.db2.gz IJMKCGXYNRNWRM-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636068681 346310088 /nfs/dbraw/zinc/31/00/88/346310088.db2.gz MSJPAYUDCQDKQA-VHSXEESVSA-N 0 1 237.347 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC000636070876 346312192 /nfs/dbraw/zinc/31/21/92/346312192.db2.gz IKDKTOVNBBUCNK-GFCCVEGCSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)C ZINC000027894183 179042604 /nfs/dbraw/zinc/04/26/04/179042604.db2.gz RQJKVPUBSZKQIR-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)C ZINC000027894189 179042635 /nfs/dbraw/zinc/04/26/35/179042635.db2.gz RQJKVPUBSZKQIR-NSHDSACASA-N 0 1 220.316 2.192 20 0 BEADMN CCN(Cc1cccc(Cl)c1)[C@H](C)C(N)=O ZINC000154033526 346317225 /nfs/dbraw/zinc/31/72/25/346317225.db2.gz CFONMYBVZUBQCR-SECBINFHSA-N 0 1 240.734 2.036 20 0 BEADMN CCC1(CC)CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000636201168 346351295 /nfs/dbraw/zinc/35/12/95/346351295.db2.gz IVYPKMWZGCXZBB-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CC1(NC(=O)[C@@H]2CCCCN2C)CC1 ZINC000636239671 346365163 /nfs/dbraw/zinc/36/51/63/346365163.db2.gz AAKOCDSHUUWONB-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](CN(CCOC)Cc1ccco1)OC ZINC000419177970 192101710 /nfs/dbraw/zinc/10/17/10/192101710.db2.gz AZMAZBFWRNFWJF-GFCCVEGCSA-N 0 1 241.331 2.153 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2cnc(C)nc2)CC1 ZINC000352421835 187367355 /nfs/dbraw/zinc/36/73/55/187367355.db2.gz NXDSBOOUUKQUGG-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636328489 346397981 /nfs/dbraw/zinc/39/79/81/346397981.db2.gz FEWYWTYSHDMJFW-YUSALJHKSA-N 0 1 247.342 2.208 20 0 BEADMN CC1=C[C@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621989259 370647052 /nfs/dbraw/zinc/64/70/52/370647052.db2.gz ANMJUMODXNLHBU-JTQLQIEISA-N 0 1 247.342 2.112 20 0 BEADMN Fc1ccc(CCNCc2ncc[nH]2)c(F)c1 ZINC000069877811 349957863 /nfs/dbraw/zinc/95/78/63/349957863.db2.gz CWDBVYHVTHYSNZ-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN Cc1cccc(CN(C)CC[C@H](C)O)c1F ZINC000294951416 179067009 /nfs/dbraw/zinc/06/70/09/179067009.db2.gz VQYSTYPWFIUWIC-NSHDSACASA-N 0 1 225.307 2.337 20 0 BEADMN CC(C)[C@](C)(CO)NCc1ncc(Cl)s1 ZINC000336767681 167523703 /nfs/dbraw/zinc/52/37/03/167523703.db2.gz TVNFZFSKEWLKKT-JTQLQIEISA-N 0 1 248.779 2.293 20 0 BEADMN COCC1CCC(N[C@@H](C)C(F)F)CC1 ZINC000641792855 362729247 /nfs/dbraw/zinc/72/92/47/362729247.db2.gz ZMFZDCXYVNPJTD-IDKOKCKLSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H](C)N1 ZINC000070076105 349965798 /nfs/dbraw/zinc/96/57/98/349965798.db2.gz ZKPZIYHTKTVFKL-TXEJJXNPSA-N 0 1 236.359 2.086 20 0 BEADMN c1cc(CN[C@H]2CCOC3(CCCC3)C2)no1 ZINC000148855805 346470840 /nfs/dbraw/zinc/47/08/40/346470840.db2.gz WMTFYWUWFYUUEM-NSHDSACASA-N 0 1 236.315 2.256 20 0 BEADMN Cc1cccc(CNCc2c[nH]cn2)c1 ZINC000054763632 179094481 /nfs/dbraw/zinc/09/44/81/179094481.db2.gz WJPXTBASOJROSB-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN Cc1ccccc1C1CCN([C@@H](C)C(N)=O)CC1 ZINC000170953861 346488292 /nfs/dbraw/zinc/48/82/92/346488292.db2.gz HANVDCNUJMBERB-LBPRGKRZSA-N 0 1 246.354 2.048 20 0 BEADMN CC/C=C\CCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000342197217 346557641 /nfs/dbraw/zinc/55/76/41/346557641.db2.gz GHDNFSDNOLDGIP-KRZKBDHCSA-N 0 1 247.404 2.098 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(SC)CC1 ZINC000300838973 346562582 /nfs/dbraw/zinc/56/25/82/346562582.db2.gz LVDWBUDKRWMBLN-NSHDSACASA-N 0 1 245.388 2.156 20 0 BEADMN Cc1cc(CC(=O)N(C)c2cccc(C)c2)n[nH]1 ZINC000150932668 179112234 /nfs/dbraw/zinc/11/22/34/179112234.db2.gz TUKRQWRIRNQFLU-UHFFFAOYSA-N 0 1 243.310 2.232 20 0 BEADMN CCCC[C@H](C(=O)OC)N(C)CCCSC ZINC000300892164 346524852 /nfs/dbraw/zinc/52/48/52/346524852.db2.gz BLUQLXHRQBCRKN-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(C)CCCSC ZINC000300892167 346525126 /nfs/dbraw/zinc/52/51/26/346525126.db2.gz BLUQLXHRQBCRKN-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN Cc1cc(C(=O)N(C)C[C@H](C)C(C)(C)C)n[nH]1 ZINC000636432028 346533066 /nfs/dbraw/zinc/53/30/66/346533066.db2.gz OPDQJTCONIEHHJ-VIFPVBQESA-N 0 1 237.347 2.472 20 0 BEADMN C[C@@H](CN(C)C(=O)c1ccn[nH]1)C(C)(C)C ZINC000636432906 346536340 /nfs/dbraw/zinc/53/63/40/346536340.db2.gz HZIVJQWQPZCRMA-VIFPVBQESA-N 0 1 223.320 2.164 20 0 BEADMN COC[C@@H](C)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000187370084 346571735 /nfs/dbraw/zinc/57/17/35/346571735.db2.gz RBDUFUFNGKYXDR-ZDUSSCGKSA-N 0 1 241.375 2.304 20 0 BEADMN CC(=O)CCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000201810037 346577102 /nfs/dbraw/zinc/57/71/02/346577102.db2.gz ZHGSYGXYOPGBQL-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN Cc1ccc(-c2cc(C(=O)N(C)C)n[nH]2)cc1C ZINC000187617061 346590386 /nfs/dbraw/zinc/59/03/86/346590386.db2.gz FFQOSMJOLJJKHP-UHFFFAOYSA-N 0 1 243.310 2.395 20 0 BEADMN Cc1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC000173921194 179127239 /nfs/dbraw/zinc/12/72/39/179127239.db2.gz PTTPKKOABGZKDQ-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN Cc1cccc(NC(=O)N2CC(N(C)C)C2)c1C ZINC000158082796 179131015 /nfs/dbraw/zinc/13/10/15/179131015.db2.gz CZUCFQTWSXPBOI-UHFFFAOYSA-N 0 1 247.342 2.081 20 0 BEADMN CC(C)Cn1[n-]c2c(c1=O)CCCCC2 ZINC000105669047 346629792 /nfs/dbraw/zinc/62/97/92/346629792.db2.gz AJQBIHSSAQNTKU-SNVBAGLBSA-N 0 1 208.305 2.421 20 0 BEADMN CC(C)(C)CCCNC(=O)c1cnccc1N ZINC000187864666 346635650 /nfs/dbraw/zinc/63/56/50/346635650.db2.gz NKHXTLXEGOGZMB-UHFFFAOYSA-N 0 1 235.331 2.220 20 0 BEADMN Cc1cccc(NC[C@]2(C)CCOC2)n1 ZINC000309174667 179148615 /nfs/dbraw/zinc/14/86/15/179148615.db2.gz MGNFIRWLJFYEOU-LBPRGKRZSA-N 0 1 206.289 2.229 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000167415329 346708613 /nfs/dbraw/zinc/70/86/13/346708613.db2.gz HVYLAFKIVSQFFS-VIFPVBQESA-N 0 1 225.723 2.362 20 0 BEADMN CC[C@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000167415329 346708615 /nfs/dbraw/zinc/70/86/15/346708615.db2.gz HVYLAFKIVSQFFS-VIFPVBQESA-N 0 1 225.723 2.362 20 0 BEADMN Cc1cccc(NC(=O)c2c(O)cccc2F)n1 ZINC000119890856 179141127 /nfs/dbraw/zinc/14/11/27/179141127.db2.gz SAIDHKCCYBJINX-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN c1csc(CNCc2ccc3nc[nH]c3c2)n1 ZINC000589643045 346721832 /nfs/dbraw/zinc/72/18/32/346721832.db2.gz XUWZHQXMSUIPTD-UHFFFAOYSA-N 0 1 244.323 2.309 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3occc32)n[nH]1 ZINC000589641640 346722159 /nfs/dbraw/zinc/72/21/59/346722159.db2.gz SJUKRVZWIYWNNF-GFCCVEGCSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3occc32)[nH]n1 ZINC000589641640 346722162 /nfs/dbraw/zinc/72/21/62/346722162.db2.gz SJUKRVZWIYWNNF-GFCCVEGCSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1cccc(NCCc2cccnc2)n1 ZINC000037718595 179146052 /nfs/dbraw/zinc/14/60/52/179146052.db2.gz HFLGCAGYHJRJPD-UHFFFAOYSA-N 0 1 213.284 2.440 20 0 BEADMN Cc1cccc(NC[C@@H](CO)C(C)C)n1 ZINC000336745882 179147057 /nfs/dbraw/zinc/14/70/57/179147057.db2.gz BOMAMOSJCBGGCQ-NSHDSACASA-N 0 1 208.305 2.066 20 0 BEADMN Cc1cccc(NC[C@H]2CCOC[C@@H]2C)n1 ZINC000309503408 179147600 /nfs/dbraw/zinc/14/76/00/179147600.db2.gz VHLGKTBSODEPQT-CMPLNLGQSA-N 0 1 220.316 2.475 20 0 BEADMN Cc1nnc([C@H](C)NCC2CC(F)(F)C2)o1 ZINC000381693562 346698157 /nfs/dbraw/zinc/69/81/57/346698157.db2.gz GYEOMLQLVHRZSD-LURJTMIESA-N 0 1 231.246 2.074 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(C2CC2)CC1 ZINC000590006886 346763115 /nfs/dbraw/zinc/76/31/15/346763115.db2.gz XPIANGUYZUVXGY-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN CCc1nc(CN[C@H](CO)C(C)(C)C)cs1 ZINC000180632626 346750033 /nfs/dbraw/zinc/75/00/33/346750033.db2.gz RLJYMUFCVIBBPQ-SNVBAGLBSA-N 0 1 242.388 2.202 20 0 BEADMN CC(C)(C)C1CC(NC(=O)CCc2cnc[nH]2)C1 ZINC000580669020 365866566 /nfs/dbraw/zinc/86/65/66/365866566.db2.gz ZKZYTSOVNDPUGH-UHFFFAOYSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@@H]1CCC[C@H](CN(C)CC(=O)OC)C1 ZINC000182994688 347115171 /nfs/dbraw/zinc/11/51/71/347115171.db2.gz FAFMVFRLKGMTIP-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ncccc1CC ZINC000582042667 347118023 /nfs/dbraw/zinc/11/80/23/347118023.db2.gz VSGNDHLETNMNGE-KGYLQXTDSA-N 0 1 234.343 2.472 20 0 BEADMN CCc1nc(CN(C)c2ccc(F)cc2)n[nH]1 ZINC000184572557 347167815 /nfs/dbraw/zinc/16/78/15/347167815.db2.gz WYTZSEUNEWRYAK-UHFFFAOYSA-N 0 1 234.278 2.143 20 0 BEADMN CC[C@H](NCC(C)(F)F)[C@H]1CCOC1 ZINC000382156483 347204894 /nfs/dbraw/zinc/20/48/94/347204894.db2.gz RIVGDOGIGUZXQN-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CCO[C@@H]2C)n1 ZINC000571282967 323140240 /nfs/dbraw/zinc/14/02/40/323140240.db2.gz CBUAWAAYQRUHLR-BBBLOLIVSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1cccc(CCN2C[C@H](C)O[C@@H](C)[C@@H]2C)n1 ZINC000563052106 347215104 /nfs/dbraw/zinc/21/51/04/347215104.db2.gz GASHLWWBZSCVEO-IHRRRGAJSA-N 0 1 248.370 2.430 20 0 BEADMN CO[C@H](CNCc1cnc(C2CC2)o1)C1CC1 ZINC000628295619 347229104 /nfs/dbraw/zinc/22/91/04/347229104.db2.gz DEPBRNZBIREPIT-GFCCVEGCSA-N 0 1 236.315 2.067 20 0 BEADMN Cc1cccc([C@H](C)N(C)[C@H]2CCN(C)C2=O)c1 ZINC000266721714 179193901 /nfs/dbraw/zinc/19/39/01/179193901.db2.gz HZSSYQIQFVSRSQ-JSGCOSHPSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1ncc(CN2CCCO[C@@H](C(C)C)C2)o1 ZINC000628297224 347246470 /nfs/dbraw/zinc/24/64/70/347246470.db2.gz OEFXGRQAMMXROA-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN CCn1ccnc1CNCC(CC)(CC)OC ZINC000310520225 347290407 /nfs/dbraw/zinc/29/04/07/347290407.db2.gz LUACJMDLEQLXME-UHFFFAOYSA-N 0 1 239.363 2.198 20 0 BEADMN Cc1ccccc1N(C)C(=O)[C@@H]1CCCN1C ZINC000623047040 347297430 /nfs/dbraw/zinc/29/74/30/347297430.db2.gz HRBFMAJBIQMTKQ-ZDUSSCGKSA-N 0 1 232.327 2.052 20 0 BEADMN CO[C@@H]([C@H](C)N[C@@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000388297491 347299935 /nfs/dbraw/zinc/29/99/35/347299935.db2.gz LVECLZSEIBLOLK-DJIHRAIXSA-N 0 1 249.358 2.292 20 0 BEADMN CCCN(CCSC)[C@@H](CC)C(=O)OCC ZINC000190346721 347328582 /nfs/dbraw/zinc/32/85/82/347328582.db2.gz HNFQHGXMOXNOLZ-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN COc1cccc(Cl)c1CNC[C@H](C)OC ZINC000191209893 347346380 /nfs/dbraw/zinc/34/63/80/347346380.db2.gz WKWSYZZRGFTQJI-VIFPVBQESA-N 0 1 243.734 2.473 20 0 BEADMN Cc1ccccc1N(C)C(=O)CN1CC[C@H](C)C1 ZINC000623047769 347304358 /nfs/dbraw/zinc/30/43/58/347304358.db2.gz STZBBCCKNNFWIL-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc2cc(C[N@H+]3CC[C@H](O)C3)ccc2n1 ZINC000189681750 347307781 /nfs/dbraw/zinc/30/77/81/347307781.db2.gz QCWBVKLLESZLPD-AWEZNQCLSA-N 0 1 242.322 2.110 20 0 BEADMN C[C@@H](NC1Cc2ccccc2C1)c1ccon1 ZINC000349235229 136742721 /nfs/dbraw/zinc/74/27/21/136742721.db2.gz BLCGUFHUBFGOLM-SNVBAGLBSA-N 0 1 228.295 2.493 20 0 BEADMN CCOc1ccccc1[C@H](C)NCC[NH+](C)C ZINC000022143536 347404766 /nfs/dbraw/zinc/40/47/66/347404766.db2.gz ZKGFYZNDDRRJRJ-LBPRGKRZSA-N 0 1 236.359 2.298 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000193329446 347395799 /nfs/dbraw/zinc/39/57/99/347395799.db2.gz QOOTWIFGZBGBHM-VXGBXAGGSA-N 0 1 249.358 2.427 20 0 BEADMN CCCN1CCC[C@H]1c1nc(CC)no1 ZINC000350592447 347396843 /nfs/dbraw/zinc/39/68/43/347396843.db2.gz HOBFFGUPGAXRAJ-VIFPVBQESA-N 0 1 209.293 2.179 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCC1CCCC1 ZINC000616921715 347451425 /nfs/dbraw/zinc/45/14/25/347451425.db2.gz AKQAMFYGQMEUAX-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN C[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616921609 347451753 /nfs/dbraw/zinc/45/17/53/347451753.db2.gz XGMBTBSSKKSOTQ-ZYHUDNBSSA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000616922144 347452684 /nfs/dbraw/zinc/45/26/84/347452684.db2.gz QVKNYYLEBULOIF-NSHDSACASA-N 0 1 247.342 2.339 20 0 BEADMN C[C@H]1C[C@H](C(=O)N(C)Cc2cnc[nH]2)C[C@@H](C)C1 ZINC000616927521 347455110 /nfs/dbraw/zinc/45/51/10/347455110.db2.gz KNIFCWFZKJPJRA-GDNZZTSVSA-N 0 1 249.358 2.440 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCO2)cs1 ZINC000020253449 347437295 /nfs/dbraw/zinc/43/72/95/347437295.db2.gz JDIIYBYJQOHYNH-GZMMTYOYSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2cnc[nH]2)C[C@H]1C ZINC000616928730 347495061 /nfs/dbraw/zinc/49/50/61/347495061.db2.gz KCAPNHPHXPHOOH-IJLUTSLNSA-N 0 1 249.358 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C[C@H]1C=CCCC1 ZINC000616927125 347459280 /nfs/dbraw/zinc/45/92/80/347459280.db2.gz AJDDENKYQLWUSX-NSHDSACASA-N 0 1 233.315 2.115 20 0 BEADMN CC(C)C(C)(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927156 347459458 /nfs/dbraw/zinc/45/94/58/347459458.db2.gz BJBDKMHQNCTLHR-UHFFFAOYSA-N 0 1 223.320 2.050 20 0 BEADMN CCC(C)(C)N(C)C(=O)NCc1cc(C)[nH]n1 ZINC000684911034 488352248 /nfs/dbraw/zinc/35/22/48/488352248.db2.gz UTVKSKPLYSBAGP-UHFFFAOYSA-N 0 1 238.335 2.048 20 0 BEADMN CC(C)[C@@](C)(O)CN[C@@H](C)c1cscn1 ZINC000380110194 365886808 /nfs/dbraw/zinc/88/68/08/365886808.db2.gz RSBZISDBQQNURA-ONGXEEELSA-N 0 1 228.361 2.201 20 0 BEADMN CC(C)[C@](C)(O)CN[C@H](C)c1cscn1 ZINC000380110193 365886474 /nfs/dbraw/zinc/88/64/74/365886474.db2.gz RSBZISDBQQNURA-MWLCHTKSSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000336387642 179247740 /nfs/dbraw/zinc/24/77/40/179247740.db2.gz LMPHCBNOMDMNHV-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN CC(C)[C@@](C)(O)CN[C@H](C)c1cscn1 ZINC000380110192 365886661 /nfs/dbraw/zinc/88/66/61/365886661.db2.gz RSBZISDBQQNURA-KOLCDFICSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1ccccc1CCC[N@H+](C)CCC(=O)[O-] ZINC000262686068 179261662 /nfs/dbraw/zinc/26/16/62/179261662.db2.gz XUXMUALUSMGDPM-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN C/C(Cl)=C/CN(C)C[C@@H]1CCCO1 ZINC000528456022 323151771 /nfs/dbraw/zinc/15/17/71/323151771.db2.gz LFAQBRWNTUVKGW-BSKOKIOFSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1cc(C)cc(CNC(=O)[C@@H]2CCCN2C)c1 ZINC000618160964 347680689 /nfs/dbraw/zinc/68/06/89/347680689.db2.gz XRFOLAUFRNDZLL-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN COc1ncccc1CN1CCCCC1 ZINC000176813919 365907406 /nfs/dbraw/zinc/90/74/06/365907406.db2.gz IRHYHJJNJKXFKB-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN Cc1ccccc1CNCc1ccnn1C ZINC000020349261 179283635 /nfs/dbraw/zinc/28/36/35/179283635.db2.gz AAOSZSRVPHCVPT-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CSCCCCc1nc([C@@H]2CCCN2)no1 ZINC000592356914 347772951 /nfs/dbraw/zinc/77/29/51/347772951.db2.gz KNBPWGSLYXUQHL-VIFPVBQESA-N 0 1 241.360 2.180 20 0 BEADMN C[C@]1(F)CCN(CCOCC2CCC2)C1 ZINC000419230685 192108559 /nfs/dbraw/zinc/10/85/59/192108559.db2.gz QFVWCTFRVVWXJA-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN CCN(CCSC)Cc1cncc(F)c1 ZINC000592200609 347751608 /nfs/dbraw/zinc/75/16/08/347751608.db2.gz ASCUOGLRSCHHTG-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN CCN(CCSC)[C@H](CC(C)C)C(=O)OC ZINC000592201087 347752666 /nfs/dbraw/zinc/75/26/66/347752666.db2.gz AUUYWPUJQPUCGS-LLVKDONJSA-N 0 1 247.404 2.259 20 0 BEADMN CCN(CCSC)Cc1cc(C)no1 ZINC000592204827 347757057 /nfs/dbraw/zinc/75/70/57/347757057.db2.gz UEBQTAMKCBGODI-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN Cc1ccccc1CNCc1c[nH]cn1 ZINC000054765004 179282696 /nfs/dbraw/zinc/28/26/96/179282696.db2.gz NXYMQABXAXQNMH-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN CCN(CCSC)Cc1ccnn1CC ZINC000592530492 347796366 /nfs/dbraw/zinc/79/63/66/347796366.db2.gz YFJQHPATPQMSAQ-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000066646386 347830155 /nfs/dbraw/zinc/83/01/55/347830155.db2.gz GCATXDKBXVMYFV-SECBINFHSA-N 0 1 223.320 2.404 20 0 BEADMN CCSCCN1C[C@@H](CC)OC[C@H]1C ZINC000593064729 347849759 /nfs/dbraw/zinc/84/97/59/347849759.db2.gz VPNFXCKNXIUPEX-GHMZBOCLSA-N 0 1 217.378 2.239 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)c1 ZINC000593099943 347856450 /nfs/dbraw/zinc/85/64/50/347856450.db2.gz LIMMNMKKOQXNSM-ZQIUZPCESA-N 0 1 249.379 2.009 20 0 BEADMN Cc1c[nH]nc1CNCCOc1ccccc1C ZINC000289744683 179310439 /nfs/dbraw/zinc/31/04/39/179310439.db2.gz FCFOFGBHDCXBPV-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CC1CC1 ZINC000077366184 179316064 /nfs/dbraw/zinc/31/60/64/179316064.db2.gz JUDRIOFLWAAXSH-ZDUSSCGKSA-N 0 1 233.311 2.463 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)[C@H]1CCN(C)C1=O ZINC000268944178 179317522 /nfs/dbraw/zinc/31/75/22/179317522.db2.gz LLFVWVGJDCHGHT-OCCSQVGLSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC[C@@H](C)C1 ZINC000294899430 179341635 /nfs/dbraw/zinc/34/16/35/179341635.db2.gz ZASCXJBOJXJZGE-RISCZKNCSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC[C@@H]1C ZINC000294949385 179342242 /nfs/dbraw/zinc/34/22/42/179342242.db2.gz FHPUGKVZDZUAKK-AAEUAGOBSA-N 0 1 232.327 2.006 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC1CCCC1 ZINC000294696861 179342823 /nfs/dbraw/zinc/34/28/23/179342823.db2.gz GJZADTFRZHDOOS-ZDUSSCGKSA-N 0 1 232.327 2.054 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000295218844 179342905 /nfs/dbraw/zinc/34/29/05/179342905.db2.gz QSRKDJHOHKPBLW-JKOKRWQUSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1ccccc1[C@H](NC(=O)CN(C)C)C(C)C ZINC000173678519 179343748 /nfs/dbraw/zinc/34/37/48/179343748.db2.gz SEJQLEMSZIDLLR-OAHLLOKOSA-N 0 1 248.370 2.370 20 0 BEADMN Cc1cccnc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339390241 179356805 /nfs/dbraw/zinc/35/68/05/179356805.db2.gz JSDZVFXYQAGJEC-JTQLQIEISA-N 0 1 246.314 2.486 20 0 BEADMN CCc1nc([C@H](C)S[C@@H]2CCO[C@H]2C)n[nH]1 ZINC000594892862 348126363 /nfs/dbraw/zinc/12/63/63/348126363.db2.gz KCUCNPHRQJSSQI-XHNCKOQMSA-N 0 1 241.360 2.339 20 0 BEADMN CCc1nc([C@@H](C)[S@](=O)c2ccccc2)n[nH]1 ZINC000594660364 348093949 /nfs/dbraw/zinc/09/39/49/348093949.db2.gz LJZNXDKRLWAVHM-XLFHBGCDSA-N 0 1 249.339 2.236 20 0 BEADMN CSC[C@H](C)NCc1nccn1C(C)C ZINC000594928046 348138964 /nfs/dbraw/zinc/13/89/64/348138964.db2.gz ZETWYSJCMGNXRV-JTQLQIEISA-N 0 1 227.377 2.305 20 0 BEADMN Cc1nnc(CN[C@H](C)CSCCF)s1 ZINC000595033545 348175217 /nfs/dbraw/zinc/17/52/17/348175217.db2.gz NEDWVXNKBNUKGK-SSDOTTSWSA-N 0 1 249.380 2.027 20 0 BEADMN CC1(C)CCCC[C@H]1CN1CCS(=O)CC1 ZINC000595314091 348224439 /nfs/dbraw/zinc/22/44/39/348224439.db2.gz FMENLIRELSKEQC-LBPRGKRZSA-N 0 1 243.416 2.267 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)[O-])CC1 ZINC000251378514 362867932 /nfs/dbraw/zinc/86/79/32/362867932.db2.gz YROAJHNTKKZQID-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)=CCCN1CC[S@@](=O)C[C@@H](C)C1 ZINC000595457729 348255356 /nfs/dbraw/zinc/25/53/56/348255356.db2.gz BMBBMEGAOJOVTO-SWLSCSKDSA-N 0 1 229.389 2.043 20 0 BEADMN Cc1cccnc1CN1CCSC[C@H]1C ZINC000180504798 179375557 /nfs/dbraw/zinc/37/55/57/179375557.db2.gz JVGDUEZDJLTDAX-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CC[C@H](CN[C@H](COC)c1ccc(C)o1)OC ZINC000419245239 192114487 /nfs/dbraw/zinc/11/44/87/192114487.db2.gz LGGNGMDPHQVPGP-VXGBXAGGSA-N 0 1 241.331 2.290 20 0 BEADMN CC(C)[C@@H]1CN(CCOCC2CCC2)CCO1 ZINC000419252048 192116069 /nfs/dbraw/zinc/11/60/69/192116069.db2.gz SAKLXWRJIGTFLZ-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN COc1cc(CN2CCC[C@@H]2CSC)on1 ZINC000595349750 348236947 /nfs/dbraw/zinc/23/69/47/348236947.db2.gz DYWHHIYSPQVHCV-SECBINFHSA-N 0 1 242.344 2.011 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@H]1CC1(C)C ZINC000419312212 192119946 /nfs/dbraw/zinc/11/99/46/192119946.db2.gz JRCYXYPXMOGAHG-MNOVXSKESA-N 0 1 249.358 2.400 20 0 BEADMN CCN(CCSC)Cc1cc(OC)ns1 ZINC000595566640 348283847 /nfs/dbraw/zinc/28/38/47/348283847.db2.gz IHWRRULXNFPRJO-UHFFFAOYSA-N 0 1 246.401 2.337 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C2CCC2)CC1 ZINC000595659985 348299510 /nfs/dbraw/zinc/29/95/10/348299510.db2.gz PKAOXHCEYZDYGM-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)c1oc(CN2CC[C@@H]3C[C@@H]3C2)cc1C ZINC000595807463 348348854 /nfs/dbraw/zinc/34/88/54/348348854.db2.gz JGFRFGMJETXAMV-GHMZBOCLSA-N 0 1 249.310 2.216 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@@H](CCF)C1 ZINC000595754808 348328918 /nfs/dbraw/zinc/32/89/18/348328918.db2.gz CJAGNEGXVIYAAP-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@H](CC(C)(C)O)NCc1ncc(Cl)s1 ZINC000395014967 323185212 /nfs/dbraw/zinc/18/52/12/323185212.db2.gz NDLOLJIGAJWWIM-SSDOTTSWSA-N 0 1 248.779 2.436 20 0 BEADMN CCOC(=O)CN1[C@H](CC)CCC[C@@H]1C ZINC000595868366 348384823 /nfs/dbraw/zinc/38/48/23/348384823.db2.gz VOZRYOVYKGJFSD-WDEREUQCSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H](C)C2CC2)[nH]1 ZINC001639423359 1172104540 /nfs/dbraw/zinc/10/45/40/1172104540.db2.gz GWUQCXPOUVSBNW-SECBINFHSA-N 0 1 235.331 2.195 20 0 BEADMN COC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595873252 348387231 /nfs/dbraw/zinc/38/72/31/348387231.db2.gz ZIZIMOCDBDYEBL-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@H](C(N)=O)c1ccccc1 ZINC000419355887 192126931 /nfs/dbraw/zinc/12/69/31/192126931.db2.gz SATPIQGNLPCARI-MCIONIFRSA-N 0 1 246.354 2.237 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000419360116 192127017 /nfs/dbraw/zinc/12/70/17/192127017.db2.gz RSKRNNAPGGUFBZ-HBNTYKKESA-N 0 1 236.363 2.404 20 0 BEADMN CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419330201 192123827 /nfs/dbraw/zinc/12/38/27/192123827.db2.gz BNCGWQIWHAEODB-IJLUTSLNSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419330201 192123829 /nfs/dbraw/zinc/12/38/29/192123829.db2.gz BNCGWQIWHAEODB-IJLUTSLNSA-N 0 1 236.363 2.335 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)C[C@@H]1CC1(C)C ZINC000595911998 348398764 /nfs/dbraw/zinc/39/87/64/348398764.db2.gz IEERYHVJSMLZPS-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1CN(Cc2nnc(C3CC3)[nH]2)[C@@H](C)[C@H]1C ZINC000419373430 192129314 /nfs/dbraw/zinc/12/93/14/192129314.db2.gz OEANNUPLLDEQIV-UTLUCORTSA-N 0 1 234.347 2.158 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc(C2CC2)no1 ZINC000419399481 192131251 /nfs/dbraw/zinc/13/12/51/192131251.db2.gz YZYDYQSWCLLXKK-KXUCPTDWSA-N 0 1 235.331 2.423 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000419375987 192128769 /nfs/dbraw/zinc/12/87/69/192128769.db2.gz SJMPVJYCBJYQSG-DCAQKATOSA-N 0 1 249.358 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000419375987 192128771 /nfs/dbraw/zinc/12/87/71/192128771.db2.gz SJMPVJYCBJYQSG-DCAQKATOSA-N 0 1 249.358 2.221 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC000419373428 192128978 /nfs/dbraw/zinc/12/89/78/192128978.db2.gz OEANNUPLLDEQIV-OPRDCNLKSA-N 0 1 234.347 2.158 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)s1 ZINC000419376007 192129082 /nfs/dbraw/zinc/12/90/82/192129082.db2.gz SMPMKDDHKIQRST-DJLDLDEBSA-N 0 1 225.361 2.323 20 0 BEADMN Cc1cc(CNC(=O)Nc2cccc(F)c2)n[nH]1 ZINC000603522021 349990565 /nfs/dbraw/zinc/99/05/65/349990565.db2.gz GIMKQMBWPOPTIZ-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN Cc1ccnc(NC[C@H](O)C(C)(C)C)c1 ZINC000268304585 179448411 /nfs/dbraw/zinc/44/84/11/179448411.db2.gz IEFLEOMQLCRYLF-JTQLQIEISA-N 0 1 208.305 2.209 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1Cc1ncccn1 ZINC000335691795 535075702 /nfs/dbraw/zinc/07/57/02/535075702.db2.gz GDKLYJJOZHCPNC-NSHDSACASA-N 0 1 219.332 2.487 20 0 BEADMN CCn1ccnc1CNCCSC(C)C ZINC000308784700 348589279 /nfs/dbraw/zinc/58/92/79/348589279.db2.gz DZHDJNUOCNTTCW-UHFFFAOYSA-N 0 1 227.377 2.134 20 0 BEADMN COC(=O)C[C@H](CNc1cccc(C)n1)C1CC1 ZINC000596494515 348561809 /nfs/dbraw/zinc/56/18/09/348561809.db2.gz ZNULOKSAAOIXEF-GFCCVEGCSA-N 0 1 248.326 2.391 20 0 BEADMN C[C@H]1CC[C@H](C(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000627374299 348575095 /nfs/dbraw/zinc/57/50/95/348575095.db2.gz PWMWOJDYXVCLRX-XYPYZODXSA-N 0 1 247.342 2.121 20 0 BEADMN COC(=O)c1oc(CN2CC[C@H]2C2CC2)cc1C ZINC000597137073 348661443 /nfs/dbraw/zinc/66/14/43/348661443.db2.gz MGTRUFFMYHMFKJ-LBPRGKRZSA-N 0 1 249.310 2.359 20 0 BEADMN CCN(CCSC)Cc1cnc2n1CCC2 ZINC000597158081 348665916 /nfs/dbraw/zinc/66/59/16/348665916.db2.gz MMGMUYYUIHFQMX-UHFFFAOYSA-N 0 1 239.388 2.014 20 0 BEADMN COc1cccc(CNCC2(F)CC2)c1 ZINC000380261906 348739062 /nfs/dbraw/zinc/73/90/62/348739062.db2.gz RTJQAIRHAJGIOO-UHFFFAOYSA-N 0 1 209.264 2.287 20 0 BEADMN Cc1cccc(NC2CCC(C(=O)[O-])CC2)[nH+]1 ZINC000212881422 348739134 /nfs/dbraw/zinc/73/91/34/348739134.db2.gz FFAUHHOAUPEADQ-UHFFFAOYSA-N 0 1 234.299 2.445 20 0 BEADMN CSC1(CN2CCc3nccnc3C2)CCC1 ZINC000597231584 348699248 /nfs/dbraw/zinc/69/92/48/348699248.db2.gz MSHYQWIMBYAWQQ-UHFFFAOYSA-N 0 1 249.383 2.120 20 0 BEADMN C[C@H]1CCC[C@@H](Sc2nc(N)cc(N)n2)C1 ZINC000070565325 323200785 /nfs/dbraw/zinc/20/07/85/323200785.db2.gz KHRPRYGVHVETHX-JGVFFNPUSA-N 0 1 238.360 2.312 20 0 BEADMN Cc1cccc(C[N@@H+](CCO)CC(C)(C)C)n1 ZINC000605898887 348882871 /nfs/dbraw/zinc/88/28/71/348882871.db2.gz JTTJFJBXIWQDNI-UHFFFAOYSA-N 0 1 236.359 2.230 20 0 BEADMN Cc1ccc(Sc2nccnc2CN)cc1 ZINC000054378795 1172110671 /nfs/dbraw/zinc/11/06/71/1172110671.db2.gz KNLFGJMXESAUKB-UHFFFAOYSA-N 0 1 231.324 2.395 20 0 BEADMN COc1nsc(CNC2CC2)c1Cl ZINC000616574600 349080256 /nfs/dbraw/zinc/08/02/56/349080256.db2.gz UDJBFYGQXALBET-UHFFFAOYSA-N 0 1 218.709 2.057 20 0 BEADMN CCc1cnc(CN(CCO)[C@@H](C)CC)s1 ZINC000628302291 349092977 /nfs/dbraw/zinc/09/29/77/349092977.db2.gz XXDRYTBVTMKEBT-JTQLQIEISA-N 0 1 242.388 2.298 20 0 BEADMN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)C ZINC000007386570 538025172 /nfs/dbraw/zinc/02/51/72/538025172.db2.gz WDKPVBCCJVLGPK-QMMMGPOBSA-N 0 1 226.707 2.229 20 0 BEADMN CC[C@@H](C)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000248374018 349126053 /nfs/dbraw/zinc/12/60/53/349126053.db2.gz NIPHEKGSFRTZHR-ZJUUUORDSA-N 0 1 238.297 2.353 20 0 BEADMN O=C([O-])C[N@@H+](CCC1=CCCCC1)C1CC1 ZINC000385260384 349182202 /nfs/dbraw/zinc/18/22/02/349182202.db2.gz YJEVDRUFUQCOKT-UHFFFAOYSA-N 0 1 223.316 2.426 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251459708 349187435 /nfs/dbraw/zinc/18/74/35/349187435.db2.gz YQXCDHQYQKIUGM-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN C[C@H]1CCN(Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000248916180 349157840 /nfs/dbraw/zinc/15/78/40/349157840.db2.gz ZUEFRCZRHPMRQX-QWRGUYRKSA-N 0 1 236.363 2.263 20 0 BEADMN COC[C@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000249983854 349165566 /nfs/dbraw/zinc/16/55/66/349165566.db2.gz YXPAVDSAMYFHJO-NEPJUHHUSA-N 0 1 237.347 2.219 20 0 BEADMN CCCCN(CC)C(=O)[C@@H]1CCCCN1C ZINC000599389191 349168732 /nfs/dbraw/zinc/16/87/32/349168732.db2.gz XSWPMDVBZATLLO-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN COC(=O)CN1CC(C)(C)CCC1(C)C ZINC000599538515 349221451 /nfs/dbraw/zinc/22/14/51/349221451.db2.gz NORPFHVBFMKRJO-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CCC(C)(C)CCN(C)[C@@H](C)C(=O)OC ZINC000599574760 349225626 /nfs/dbraw/zinc/22/56/26/349225626.db2.gz OAEIRSBOPLDRIN-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000253162976 349227973 /nfs/dbraw/zinc/22/79/73/349227973.db2.gz WJWSBRBKOHVWAZ-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN CCC(=O)CCCN1CCOCC12CCCC2 ZINC000388641033 349298106 /nfs/dbraw/zinc/29/81/06/349298106.db2.gz OOVMCZKMTLDYIC-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CC1=CCCCC1 ZINC000110534959 179852570 /nfs/dbraw/zinc/85/25/70/179852570.db2.gz BQGAMRJBCDBJSD-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H](C)CC(C)C)o1 ZINC000309009925 349286399 /nfs/dbraw/zinc/28/63/99/349286399.db2.gz RIHGBJLLOWMLNO-RKDXNWHRSA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000160924840 349339650 /nfs/dbraw/zinc/33/96/50/349339650.db2.gz IOEJHQFTEMCYEB-TUAOUCFPSA-N 0 1 249.358 2.035 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1sccc1OC ZINC000309043812 349400267 /nfs/dbraw/zinc/40/02/67/349400267.db2.gz MYWWTSYGBVPCCW-PSASIEDQSA-N 0 1 227.329 2.024 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)C ZINC000300846834 349361927 /nfs/dbraw/zinc/36/19/27/349361927.db2.gz DUNDSGVDKHHYGR-JTQLQIEISA-N 0 1 201.310 2.075 20 0 BEADMN C[N@@H+](CCc1ccccc1)C(C)(C)C(=O)[O-] ZINC000061173140 349365280 /nfs/dbraw/zinc/36/52/80/349365280.db2.gz DQIJLZHPMUBFGH-UHFFFAOYSA-N 0 1 221.300 2.024 20 0 BEADMN CC(C)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061448910 349368525 /nfs/dbraw/zinc/36/85/25/349368525.db2.gz QEPTYXOGSCLIBR-CYBMUJFWSA-N 0 1 233.311 2.154 20 0 BEADMN CCc1cnc(NCc2cn[nH]c2C)s1 ZINC000185970952 349383877 /nfs/dbraw/zinc/38/38/77/349383877.db2.gz PZDPHXQTERUIPE-UHFFFAOYSA-N 0 1 222.317 2.349 20 0 BEADMN CO[C@@H](CNCc1oc(C)nc1C)CC(C)C ZINC000628313793 349429465 /nfs/dbraw/zinc/42/94/65/349429465.db2.gz AJCKZNHIHDRKTG-GFCCVEGCSA-N 0 1 240.347 2.442 20 0 BEADMN Cc1nc(CN[C@@H]2COCC2(C)C)sc1C ZINC000313063158 179973917 /nfs/dbraw/zinc/97/39/17/179973917.db2.gz KHEVTYOFXAEKDF-SNVBAGLBSA-N 0 1 240.372 2.275 20 0 BEADMN COCCCN(C)Cc1ccc(F)cc1F ZINC000051709351 350060768 /nfs/dbraw/zinc/06/07/68/350060768.db2.gz YWSFHDIJIARIJQ-UHFFFAOYSA-N 0 1 229.270 2.433 20 0 BEADMN Cc1nc(N2CCN(C(C)C)CC2)sc1C ZINC000266057480 180002646 /nfs/dbraw/zinc/00/26/46/180002646.db2.gz YJHZVKRPQVUZNB-UHFFFAOYSA-N 0 1 239.388 2.290 20 0 BEADMN Cc1nnc(NC(=O)C(C)(C)C2CCCC2)[nH]1 ZINC000163288626 180004517 /nfs/dbraw/zinc/00/45/17/180004517.db2.gz SPYRXRGNUGBJAQ-UHFFFAOYSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)C(C)(C)CC(C)C)[nH]1 ZINC000084599037 180004871 /nfs/dbraw/zinc/00/48/71/180004871.db2.gz IRAWRIIODSHILH-UHFFFAOYSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nnc(NC(=O)C2CCCCCC2)[nH]1 ZINC000103258405 180005132 /nfs/dbraw/zinc/00/51/32/180005132.db2.gz KCVGQKXYCWCUIP-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN Cc1nnc(NC(=O)C(C)(C)c2ccccc2)[nH]1 ZINC000082285846 180005954 /nfs/dbraw/zinc/00/59/54/180005954.db2.gz GQWJRPVXVULZRG-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H](C)c2ccccc2)[nH]1 ZINC000103253494 180007220 /nfs/dbraw/zinc/00/72/20/180007220.db2.gz OVTPKYPMFUAXDC-SECBINFHSA-N 0 1 244.298 2.245 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)[nH]1 ZINC000294640819 180010589 /nfs/dbraw/zinc/01/05/89/180010589.db2.gz QOMWELLJYPOIIH-QXFUBDJGSA-N 0 1 236.319 2.124 20 0 BEADMN CCCSCc1nc([C@@H]2CCCN2)no1 ZINC000390788114 350090385 /nfs/dbraw/zinc/09/03/85/350090385.db2.gz ABTKRRKOOVMGCN-QMMMGPOBSA-N 0 1 227.333 2.137 20 0 BEADMN C[C@H](NCc1cccnc1)c1cncs1 ZINC000131921409 191018834 /nfs/dbraw/zinc/01/88/34/191018834.db2.gz JONLDNWNUUYQHJ-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN CC[C@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000071286284 350096465 /nfs/dbraw/zinc/09/64/65/350096465.db2.gz BDQOIUBURCOVTR-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](C)CCCO)cs1 ZINC000087358130 180037906 /nfs/dbraw/zinc/03/79/06/180037906.db2.gz UAGBZTMPCCBXGA-DTWKUNHWSA-N 0 1 228.361 2.263 20 0 BEADMN C[C@](N)(C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 ZINC000219228980 350117844 /nfs/dbraw/zinc/11/78/44/350117844.db2.gz LKKKEKVBEZQHKP-SWLSCSKDSA-N 0 1 246.354 2.023 20 0 BEADMN Cc1nc([C@H](C)NCCc2cnccn2)cs1 ZINC000341874148 180049351 /nfs/dbraw/zinc/04/93/51/180049351.db2.gz JYPCCXNRFRQWID-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN Cc1nc([C@H](C)NCCc2cn[nH]c2)cs1 ZINC000289574322 180049541 /nfs/dbraw/zinc/04/95/41/180049541.db2.gz BCTFUTGKBGQKRH-QMMMGPOBSA-N 0 1 236.344 2.068 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](O)C(F)F)c(C)o1 ZINC000219281475 350119395 /nfs/dbraw/zinc/11/93/95/350119395.db2.gz WFUZJSUHCIEXRM-OIBJUYFYSA-N 0 1 233.258 2.173 20 0 BEADMN Cc1nc([C@H](C)SC2CCOCC2)n[nH]1 ZINC000333689539 180053263 /nfs/dbraw/zinc/05/32/63/180053263.db2.gz ATNNQAXDLWXNNB-ZETCQYMHSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@](C)(NCC(C)C)C2CC2)no1 ZINC000336688980 180056556 /nfs/dbraw/zinc/05/65/56/180056556.db2.gz VGEZODDJKPLHOX-GFCCVEGCSA-N 0 1 223.320 2.249 20 0 BEADMN Cc1nc2cccc(C(=O)NC(C)C)c2[nH]1 ZINC000074732519 180061457 /nfs/dbraw/zinc/06/14/57/180061457.db2.gz NEINBCRKYGFZNR-UHFFFAOYSA-N 0 1 217.272 2.010 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H](C)C3CC3)c2[nH]1 ZINC000283715215 180062486 /nfs/dbraw/zinc/06/24/86/180062486.db2.gz ZKOSDSCZNXVAPN-MRVPVSSYSA-N 0 1 243.310 2.400 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304182305 350147374 /nfs/dbraw/zinc/14/73/74/350147374.db2.gz MTLBNYQWZQYEQX-KXUCPTDWSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1nc2c(s1)[C@H](NCCF)CCC2 ZINC000280991669 180075071 /nfs/dbraw/zinc/07/50/71/180075071.db2.gz JVRWSLRTRQWSSJ-MRVPVSSYSA-N 0 1 214.309 2.388 20 0 BEADMN CCCC(C)(C)CC(=O)NCc1cnc[nH]1 ZINC000426869534 191048149 /nfs/dbraw/zinc/04/81/49/191048149.db2.gz SMBFZKPILACYTB-UHFFFAOYSA-N 0 1 223.320 2.242 20 0 BEADMN CCC[C@H](N[C@H](C(=O)OC)C1CC1)C1CCC1 ZINC000324710267 323267986 /nfs/dbraw/zinc/26/79/86/323267986.db2.gz BBGPFAXPPNANCE-STQMWFEESA-N 0 1 239.359 2.496 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC1(C)C ZINC000336386193 180110597 /nfs/dbraw/zinc/11/05/97/180110597.db2.gz QPSQZFNMWNAQSG-WDEREUQCSA-N 0 1 234.347 2.200 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCC1(C)C ZINC000336386190 180111089 /nfs/dbraw/zinc/11/10/89/180111089.db2.gz QPSQZFNMWNAQSG-GHMZBOCLSA-N 0 1 234.347 2.200 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000426981731 191049776 /nfs/dbraw/zinc/04/97/76/191049776.db2.gz PSVKROLZIZCNJM-AAEUAGOBSA-N 0 1 238.375 2.164 20 0 BEADMN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCOC1)CO2 ZINC000334290650 538063218 /nfs/dbraw/zinc/06/32/18/538063218.db2.gz CLAMJIWJWCAVMY-JQWIXIFHSA-N 0 1 237.274 2.028 20 0 BEADMN Cc1cncc(NC(=O)c2ncc(C)cc2O)c1 ZINC000427165495 191054746 /nfs/dbraw/zinc/05/47/46/191054746.db2.gz UDCUPJLPRMEDFH-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1ncc(CN(C)CCC[C@@H](C)O)s1 ZINC000336706208 180136687 /nfs/dbraw/zinc/13/66/87/180136687.db2.gz RNEZWZDKSXEWMV-SECBINFHSA-N 0 1 228.361 2.044 20 0 BEADMN Cc1ncc(CN(C)C[C@@H]2CC[C@H](C)O2)s1 ZINC000188540704 180136756 /nfs/dbraw/zinc/13/67/56/180136756.db2.gz MQQWDPVZRYSSMV-ONGXEEELSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1sccc1CNCc1cnc(C)[nH]c1=O ZINC000339343356 180153334 /nfs/dbraw/zinc/15/33/34/180153334.db2.gz JEIQVYRHSZZDAA-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN Cc1ncc(CN2CC[C@H](O)C(C)(C)C2)s1 ZINC000275496793 180146128 /nfs/dbraw/zinc/14/61/28/180146128.db2.gz QGZIGRCETQWPMJ-NSHDSACASA-N 0 1 240.372 2.044 20 0 BEADMN CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])nc1 ZINC000003755766 350189359 /nfs/dbraw/zinc/18/93/59/350189359.db2.gz WKKMTODSWSIUKR-CYBMUJFWSA-N 0 1 248.326 2.083 20 0 BEADMN CCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])nc1 ZINC000003755766 350189363 /nfs/dbraw/zinc/18/93/63/350189363.db2.gz WKKMTODSWSIUKR-CYBMUJFWSA-N 0 1 248.326 2.083 20 0 BEADMN Cc1ncccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339356146 180209116 /nfs/dbraw/zinc/20/91/16/180209116.db2.gz AZPBKPDZWREGSR-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN Cc1nccc(N2CCO[C@@H](C)C2)c1Cl ZINC000334467311 180195100 /nfs/dbraw/zinc/19/51/00/180195100.db2.gz DXSMOQNGAVCRQJ-QMMMGPOBSA-N 0 1 226.707 2.269 20 0 BEADMN Cc1nccc(N2C[C@H](O)C[C@H]2C)c1Cl ZINC000334307676 180195276 /nfs/dbraw/zinc/19/52/76/180195276.db2.gz DZAASFNTWUTYBB-VXNVDRBHSA-N 0 1 226.707 2.003 20 0 BEADMN Cc1nccc(NC[C@H](C)CCO)c1Cl ZINC000308989542 180200953 /nfs/dbraw/zinc/20/09/53/180200953.db2.gz HRYJFHQCTVEFSA-MRVPVSSYSA-N 0 1 228.723 2.474 20 0 BEADMN Cc1ncccc1-c1nc(C2(N)CCCC2)no1 ZINC000094649539 180208933 /nfs/dbraw/zinc/20/89/33/180208933.db2.gz YZCYDYFTMXSLGX-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN Cc1nccc(CN2C[C@@H](C)S[C@H](C)C2)n1 ZINC000335983628 180186034 /nfs/dbraw/zinc/18/60/34/180186034.db2.gz GCGHIFVCBLGQEH-NXEZZACHSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1nccc(CN2C[C@H](C)S[C@@H](C)C2)n1 ZINC000335983629 180186580 /nfs/dbraw/zinc/18/65/80/180186580.db2.gz GCGHIFVCBLGQEH-UWVGGRQHSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1ncccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000310971537 180218767 /nfs/dbraw/zinc/21/87/67/180218767.db2.gz RHHJYPKGWMQXOJ-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nn(C)cc1CN[C@@H](C)c1cccc(O)c1 ZINC000126027119 191081735 /nfs/dbraw/zinc/08/17/35/191081735.db2.gz VTDSTBSRKRANCM-JTQLQIEISA-N 0 1 245.326 2.285 20 0 BEADMN c1cc(C[NH2+]C[C@H]2CCc3ccccc3C2)[nH]n1 ZINC000605008512 350236610 /nfs/dbraw/zinc/23/66/10/350236610.db2.gz BOBYQEQQEWHLDS-LBPRGKRZSA-N 0 1 241.338 2.304 20 0 BEADMN Cc1nccnc1CCN[C@@H](C)c1cscn1 ZINC000294877318 180274063 /nfs/dbraw/zinc/27/40/63/180274063.db2.gz DELINAJENGTMSB-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN Cc1nccnc1CCN[C@H](C)c1nccs1 ZINC000294976221 180275145 /nfs/dbraw/zinc/27/51/45/180275145.db2.gz KHTNINIPDLZVBD-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ncc[nH]1)C(C)(C)C ZINC000286360791 538087136 /nfs/dbraw/zinc/08/71/36/538087136.db2.gz ZDPIKJFQYQGMHN-ZJUUUORDSA-N 0 1 225.336 2.121 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc[nH]c1 ZINC000428042105 191089378 /nfs/dbraw/zinc/08/93/78/191089378.db2.gz LAVRTDIMZMMBHE-UHFFFAOYSA-N 0 1 244.229 2.282 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000606357111 350317937 /nfs/dbraw/zinc/31/79/37/350317937.db2.gz MEZPJLVYJBNLNA-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CCOCCCNCc1nc2ccccc2o1 ZINC000606370468 350319098 /nfs/dbraw/zinc/31/90/98/350319098.db2.gz BOXVGRRNSNKFMI-UHFFFAOYSA-N 0 1 234.299 2.344 20 0 BEADMN C[C@@H](NC(=O)CN1CCC(C)CC1)C1CCC1 ZINC000130907975 490460911 /nfs/dbraw/zinc/46/09/11/490460911.db2.gz IMEWPKPZRCCMOD-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ncsc1CN(C)[C@@H]1CCCOC1 ZINC000336554128 180312118 /nfs/dbraw/zinc/31/21/18/180312118.db2.gz WVQYCSDKUOKJDD-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncsc1CN(C)C[C@H]1CCCO1 ZINC000108871715 180313440 /nfs/dbraw/zinc/31/34/40/180313440.db2.gz RVAGDDDXUFYJEV-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)[O-] ZINC000606540384 350357355 /nfs/dbraw/zinc/35/73/55/350357355.db2.gz LFXBTDMEWCKURJ-VIFPVBQESA-N 0 1 237.274 2.220 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1c(C)cccc1C ZINC000606539318 350358731 /nfs/dbraw/zinc/35/87/31/350358731.db2.gz DOGSVMJBJUGVIM-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN Cc1ncsc1CCN(C(C)C)C1COC1 ZINC000295469857 180307406 /nfs/dbraw/zinc/30/74/06/180307406.db2.gz QSBRYHUQEBRLBN-UHFFFAOYSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1ncsc1CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000178597881 180309963 /nfs/dbraw/zinc/30/99/63/180309963.db2.gz YKKXAFSFAQUKBP-QWRGUYRKSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1ncsc1CCN1CCO[C@@H](C)[C@@H]1C ZINC000178597881 180309965 /nfs/dbraw/zinc/30/99/65/180309965.db2.gz YKKXAFSFAQUKBP-QWRGUYRKSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1ncsc1CCN[C@@H](C)c1ccon1 ZINC000309360448 180310499 /nfs/dbraw/zinc/31/04/99/180310499.db2.gz AKWQTNUGSQXAKV-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN CCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000606439500 350333586 /nfs/dbraw/zinc/33/35/86/350333586.db2.gz CPWWGKNEWKMJLH-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN CC(C)[C@H](Nc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000263517427 535126812 /nfs/dbraw/zinc/12/68/12/535126812.db2.gz PGQUATLPYOAHTK-NSHDSACASA-N 0 1 247.298 2.094 20 0 BEADMN CC(C)=CC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000069609195 350372190 /nfs/dbraw/zinc/37/21/90/350372190.db2.gz JEIOEPQGFHAQOL-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN CC(C)=CCN1CCCN(C(=O)C(C)C)CC1 ZINC000069609195 350372192 /nfs/dbraw/zinc/37/21/92/350372192.db2.gz JEIOEPQGFHAQOL-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN C[C@H]1CC[C@@]2(CC[N@@H+](CCCC(=O)[O-])C2)C1 ZINC000309421759 350375022 /nfs/dbraw/zinc/37/50/22/350375022.db2.gz ZSUVOUKCDNMGSK-WCQYABFASA-N 0 1 225.332 2.363 20 0 BEADMN O=C(N[C@]12C[C@H]1CCC2)c1cccc2nc[nH]c21 ZINC000617211626 350380949 /nfs/dbraw/zinc/38/09/49/350380949.db2.gz MYXSYCXHVAMLLC-YMTOWFKASA-N 0 1 241.294 2.235 20 0 BEADMN CSCC[NH2+]Cc1cccc([O-])c1Cl ZINC000328312471 350396968 /nfs/dbraw/zinc/39/69/68/350396968.db2.gz GFGBDYVMQLGOOW-UHFFFAOYSA-N 0 1 231.748 2.498 20 0 BEADMN FC(F)C1CN(Cc2cccc3n[nH]cc32)C1 ZINC000628306976 350438075 /nfs/dbraw/zinc/43/80/75/350438075.db2.gz HDMBYENQPHOCOA-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCC1=CCCOC1 ZINC000127300474 490544317 /nfs/dbraw/zinc/54/43/17/490544317.db2.gz KOWSJZGAJYOHHN-SECBINFHSA-N 0 1 236.315 2.289 20 0 BEADMN Cc1ncc(CNCCOCCC(C)C)o1 ZINC000397929873 362956417 /nfs/dbraw/zinc/95/64/17/362956417.db2.gz TWLLZNTZBRQGDJ-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CCc1cnc(CN(C)C[C@H]2CCOC2)s1 ZINC000336696801 350451958 /nfs/dbraw/zinc/45/19/58/350451958.db2.gz GXQNBRAANLTJCQ-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN Cc1nn(C)cc1CN[C@H](C)c1cccc(O)c1 ZINC000126027312 180376175 /nfs/dbraw/zinc/37/61/75/180376175.db2.gz VTDSTBSRKRANCM-SNVBAGLBSA-N 0 1 245.326 2.285 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCC[C@@H]1F ZINC000340524198 180383618 /nfs/dbraw/zinc/38/36/18/180383618.db2.gz CQXLHHSFPKUEAD-UWJYBYFXSA-N 0 1 225.311 2.270 20 0 BEADMN Cc1nn2c(CN(C)C(C)C)c(C)nc2s1 ZINC000271012059 180395229 /nfs/dbraw/zinc/39/52/29/180395229.db2.gz PQDXFTUUKZTFKE-UHFFFAOYSA-N 0 1 238.360 2.248 20 0 BEADMN Cc1c([C@H](C)NCc2cccc(O)c2)cnn1C ZINC000020352549 350501218 /nfs/dbraw/zinc/50/12/18/350501218.db2.gz XLCJCKDJBWXQBU-JTQLQIEISA-N 0 1 245.326 2.285 20 0 BEADMN CC[C@@](C)(NCc1cnc[nH]1)C(F)(F)F ZINC000380178974 350501528 /nfs/dbraw/zinc/50/15/28/350501528.db2.gz KWNLHXVZFHTTPS-MRVPVSSYSA-N 0 1 221.226 2.230 20 0 BEADMN OCCNCc1c(Cl)oc2ccccc21 ZINC000134223508 191107929 /nfs/dbraw/zinc/10/79/29/191107929.db2.gz YYVFTFRYOQYPLT-UHFFFAOYSA-N 0 1 225.675 2.168 20 0 BEADMN CCCC[C@H](CC)C(=O)NCCN1CCC1 ZINC000337302981 350570522 /nfs/dbraw/zinc/57/05/22/350570522.db2.gz QAHAJJWMIIUXDI-LBPRGKRZSA-N 0 1 226.364 2.025 20 0 BEADMN CCN1CCN(CCCC(C)(C)C)[C@@H](C)C1=O ZINC000337205873 350564421 /nfs/dbraw/zinc/56/44/21/350564421.db2.gz LKGFWGRWQNIDIX-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N(C)[C@H](C)C1 ZINC000337436657 350585173 /nfs/dbraw/zinc/58/51/73/350585173.db2.gz CTCXCOPVTWJXJX-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000337453710 350587148 /nfs/dbraw/zinc/58/71/48/350587148.db2.gz IXTZIUTXGRZCDH-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nsc(C)c1CN(CCO)C1CCC1 ZINC000577526893 365978315 /nfs/dbraw/zinc/97/83/15/365978315.db2.gz NLASUSOSQSLFDS-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN CCCC[C@@H](C)C(=O)NCCN1CC=CCC1 ZINC000337554804 350594722 /nfs/dbraw/zinc/59/47/22/350594722.db2.gz ISEMOKDUDHNAOG-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN CC(C)(C)c1cnc(CN[C@@H]2CCOC2)s1 ZINC000309323657 535143440 /nfs/dbraw/zinc/14/34/40/535143440.db2.gz FUTNGFWNRDKDMN-SECBINFHSA-N 0 1 240.372 2.319 20 0 BEADMN Clc1cnccc1CN[C@@H]1CC12CC2 ZINC000623554504 362973938 /nfs/dbraw/zinc/97/39/38/362973938.db2.gz BSKKJZAKUMYENO-SNVBAGLBSA-N 0 1 208.692 2.377 20 0 BEADMN CCCCCN1CCCC[C@@H]1C(=O)OC ZINC000096687060 350682821 /nfs/dbraw/zinc/68/28/21/350682821.db2.gz NHVJAFYCMSPCGC-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CCCCN(C)[C@@H](CCC)C(=O)OCC ZINC000096731082 350683722 /nfs/dbraw/zinc/68/37/22/350683722.db2.gz FCDBWYLQBJGFBH-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN Cc1ncc(CN2CC(C(C)(C)C)C2)o1 ZINC000628307896 350689881 /nfs/dbraw/zinc/68/98/81/350689881.db2.gz IZBUAYCUVPPWOP-UHFFFAOYSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CC23CCCC3)c1C ZINC000577570256 365994449 /nfs/dbraw/zinc/99/44/49/365994449.db2.gz LEPGJKBKYJUPPZ-SNVBAGLBSA-N 0 1 233.315 2.089 20 0 BEADMN CC1(C)CCC[C@@H](C(=O)NCCN2CCC2)C1 ZINC000339490919 350761774 /nfs/dbraw/zinc/76/17/74/350761774.db2.gz RWGSLGARXXJBRZ-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1ncc(CN[C@H]2C[C@@H](OC(C)C)C2)o1 ZINC000628308075 350726278 /nfs/dbraw/zinc/72/62/78/350726278.db2.gz UPWKGDYHNBCDBV-PHIMTYICSA-N 0 1 224.304 2.029 20 0 BEADMN CC(C)N1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000302675495 191120708 /nfs/dbraw/zinc/12/07/08/191120708.db2.gz UFTVLCWJSSLINO-SECBINFHSA-N 0 1 240.738 2.025 20 0 BEADMN CC(C)CN(C(=O)CN1C[C@@H](C)[C@H]1C)C(C)C ZINC000339561216 350766084 /nfs/dbraw/zinc/76/60/84/350766084.db2.gz DVQMRVVXHVPENN-CHWSQXEVSA-N 0 1 240.391 2.220 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000385132270 350773739 /nfs/dbraw/zinc/77/37/39/350773739.db2.gz LCZXILMSNFJGQM-JMJZKYOTSA-N 0 1 238.331 2.201 20 0 BEADMN CCN(CC(=O)N(C)C)[C@@H](C)c1ccccc1C ZINC000621300871 350786857 /nfs/dbraw/zinc/78/68/57/350786857.db2.gz RTGNAZPTWVNMRA-ZDUSSCGKSA-N 0 1 248.370 2.466 20 0 BEADMN Cc1nnc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000177560681 366008041 /nfs/dbraw/zinc/00/80/41/366008041.db2.gz YJVJISARJQQYQY-GHMZBOCLSA-N 0 1 221.304 2.000 20 0 BEADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccoc1 ZINC000309547890 323424432 /nfs/dbraw/zinc/42/44/32/323424432.db2.gz HIVGDYZWQFSECE-IONNQARKSA-N 0 1 237.221 2.244 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@@H]2CC2(F)F)o1 ZINC000628311356 350812196 /nfs/dbraw/zinc/81/21/96/350812196.db2.gz JTNGEITURFKULE-RCOVLWMOSA-N 0 1 216.231 2.116 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C2(C)CC2)n1 ZINC000336737851 191124738 /nfs/dbraw/zinc/12/47/38/191124738.db2.gz JVYXUNVWUSDURZ-MRVPVSSYSA-N 0 1 209.293 2.167 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000003755743 350913057 /nfs/dbraw/zinc/91/30/57/350913057.db2.gz IHIHMMAIXNLDNB-SNVBAGLBSA-N 0 1 225.313 2.187 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)n[nH]1 ZINC000607121426 350923187 /nfs/dbraw/zinc/92/31/87/350923187.db2.gz NLZAUSBQXAOAHT-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)n[nH]1 ZINC000607121427 350923239 /nfs/dbraw/zinc/92/32/39/350923239.db2.gz NLZAUSBQXAOAHT-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N(C)CCCO ZINC000052075255 350930854 /nfs/dbraw/zinc/93/08/54/350930854.db2.gz MPVARLAGCARFKC-SECBINFHSA-N 0 1 229.270 2.340 20 0 BEADMN CC1(C)CN(Cc2ccccc2F)CC[C@@H]1O ZINC000258604734 351066144 /nfs/dbraw/zinc/06/61/44/351066144.db2.gz AKTIDFYDAVDPGA-ZDUSSCGKSA-N 0 1 237.318 2.419 20 0 BEADMN C/C=C\CNCc1nc2c(s1)CCC2 ZINC000623740432 351052338 /nfs/dbraw/zinc/05/23/38/351052338.db2.gz WFZJCRNXAQCGDG-IHWYPQMZSA-N 0 1 208.330 2.298 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccncc1Cl ZINC000623574707 363005044 /nfs/dbraw/zinc/00/50/44/363005044.db2.gz VAVPJXDLWXXTDX-MNOVXSKESA-N 0 1 226.707 2.002 20 0 BEADMN CCNC(=O)CN(Cc1ccccc1)C(C)C ZINC000052877097 351076521 /nfs/dbraw/zinc/07/65/21/351076521.db2.gz KBQVHJQLHGFTJX-UHFFFAOYSA-N 0 1 234.343 2.033 20 0 BEADMN CC(C)NC(=O)CN(Cc1ccccc1)C(C)C ZINC000052877054 351076581 /nfs/dbraw/zinc/07/65/81/351076581.db2.gz IPRGYQSAGOEDDZ-UHFFFAOYSA-N 0 1 248.370 2.422 20 0 BEADMN CCCc1ccc(CNCc2c[nH]nn2)s1 ZINC000623578519 363011976 /nfs/dbraw/zinc/01/19/76/363011976.db2.gz LFXDBDFWCFRTQP-UHFFFAOYSA-N 0 1 236.344 2.109 20 0 BEADMN CCCc1cccc(CNCc2c[nH]nn2)c1 ZINC000623578756 363012720 /nfs/dbraw/zinc/01/27/20/363012720.db2.gz WZCLSHVPGKUDFP-UHFFFAOYSA-N 0 1 230.315 2.047 20 0 BEADMN CC1(C)CCC[C@H]([NH2+]Cc2cnn[n-]2)CC1 ZINC000398402725 351137784 /nfs/dbraw/zinc/13/77/84/351137784.db2.gz NJTLSPRFHOQRIA-JTQLQIEISA-N 0 1 222.336 2.253 20 0 BEADMN CCN1CCN(c2nc3ccccc3o2)[C@@H](C)C1 ZINC000264337118 351233712 /nfs/dbraw/zinc/23/37/12/351233712.db2.gz BUPCBLDIOLYRER-NSHDSACASA-N 0 1 245.326 2.358 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC000083403417 351235932 /nfs/dbraw/zinc/23/59/32/351235932.db2.gz WTNLIAIVIKVFSL-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN Cc1ncc(CN2CC[C@@]3(CC3(F)F)C2)o1 ZINC000628325778 351256273 /nfs/dbraw/zinc/25/62/73/351256273.db2.gz DWSGMKLYVFVZMC-SNVBAGLBSA-N 0 1 228.242 2.214 20 0 BEADMN Cc1ncc(CN2CC(CC3CC3)C2)o1 ZINC000628361382 351335202 /nfs/dbraw/zinc/33/52/02/351335202.db2.gz FJJYKSFSHPNXCK-UHFFFAOYSA-N 0 1 206.289 2.215 20 0 BEADMN CO[C@@H](CNCc1cnc(C)o1)C1CCCC1 ZINC000628351450 351313667 /nfs/dbraw/zinc/31/36/67/351313667.db2.gz FUEHXASEHBSWQL-ZDUSSCGKSA-N 0 1 238.331 2.278 20 0 BEADMN C[C@@]1(CN2CCc3nccnc3C2)CCCS1 ZINC000628351719 351314461 /nfs/dbraw/zinc/31/44/61/351314461.db2.gz NSAVWAKAJGAGCM-ZDUSSCGKSA-N 0 1 249.383 2.120 20 0 BEADMN CCC[C@H](CNCc1cscn1)OCC ZINC000623598224 363033938 /nfs/dbraw/zinc/03/39/38/363033938.db2.gz VSOJYEWFDJNCOC-LLVKDONJSA-N 0 1 228.361 2.438 20 0 BEADMN Cc1ncsc1CNCc1ccns1 ZINC000404444848 351459039 /nfs/dbraw/zinc/45/90/39/351459039.db2.gz BVPAJXFGOWSYRK-UHFFFAOYSA-N 0 1 225.342 2.198 20 0 BEADMN c1c[nH]c(CN[C@H]2CC23CCCCC3)n1 ZINC000386842046 363051685 /nfs/dbraw/zinc/05/16/85/363051685.db2.gz BBHCDOMXQCQYGH-JTQLQIEISA-N 0 1 205.305 2.222 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccns2)C1 ZINC000637814352 351654048 /nfs/dbraw/zinc/65/40/48/351654048.db2.gz ZCFMFEFIMRSTBH-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@@H](CC(=O)N1CCNC[C@H]1C)C(C)(C)C ZINC000637815398 351654647 /nfs/dbraw/zinc/65/46/47/351654647.db2.gz AIZPJTHRTJLSJP-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](c1nc(-c2cccnc2)no1)N(C)C ZINC000276393461 351619241 /nfs/dbraw/zinc/61/92/41/351619241.db2.gz YBSXRZFEWWAFTP-JTQLQIEISA-N 0 1 232.287 2.144 20 0 BEADMN CCOC(=O)CN(CC1CCC1)C(C)C ZINC000088135583 351624952 /nfs/dbraw/zinc/62/49/52/351624952.db2.gz GWVUUDAKELXDHR-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000577647080 366030436 /nfs/dbraw/zinc/03/04/36/366030436.db2.gz GCRYGJWPKCQDTQ-MNOVXSKESA-N 0 1 249.358 2.235 20 0 BEADMN CCCn1cc(CN(C)C2CCCCC2)nn1 ZINC000637831726 351680900 /nfs/dbraw/zinc/68/09/00/351680900.db2.gz FVYFRGDLVRXZOL-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000637833875 351688228 /nfs/dbraw/zinc/68/82/28/351688228.db2.gz VSQBDKUZYBRHNG-NSHDSACASA-N 0 1 248.326 2.085 20 0 BEADMN C[C@@H]1CCCCN1Cc1cc2c(cn1)OCCO2 ZINC000637836770 351690430 /nfs/dbraw/zinc/69/04/30/351690430.db2.gz UALAALMZDXRICY-LLVKDONJSA-N 0 1 248.326 2.227 20 0 BEADMN COc1ncc(CN2CCC(C)CC2)s1 ZINC000637837208 351691472 /nfs/dbraw/zinc/69/14/72/351691472.db2.gz ZHLJIWFQLHVGIM-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN CCN(CC)[C@@H](c1nccn1C)C1CC1 ZINC000637827081 351674848 /nfs/dbraw/zinc/67/48/48/351674848.db2.gz AFYXPTOPYMFAJG-LLVKDONJSA-N 0 1 207.321 2.213 20 0 BEADMN Cc1n[nH]cc1C1CCN(CC2(F)CC2)CC1 ZINC000577778203 366060568 /nfs/dbraw/zinc/06/05/68/366060568.db2.gz YMGCQXQQWGNVHB-UHFFFAOYSA-N 0 1 237.322 2.400 20 0 BEADMN CN(Cc1ccsc1)Cc1ccc(=O)[nH]c1 ZINC000637873044 351739987 /nfs/dbraw/zinc/73/99/87/351739987.db2.gz DUIWNFAXKLFSNY-UHFFFAOYSA-N 0 1 234.324 2.481 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C1CC1 ZINC000618864691 351800137 /nfs/dbraw/zinc/80/01/37/351800137.db2.gz MHAPNZILPJQMNT-STQMWFEESA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1C[C@H](NC#N)CC[N@H+]1Cc1ccccc1 ZINC000307247707 351755731 /nfs/dbraw/zinc/75/57/31/351755731.db2.gz AIXVLJHXGBHVHX-TZMCWYRMSA-N 0 1 229.327 2.110 20 0 BEADMN CCCCCN(CCO)Cc1ccns1 ZINC000637889954 351759525 /nfs/dbraw/zinc/75/95/25/351759525.db2.gz NPTTZIYFAYLQAA-UHFFFAOYSA-N 0 1 228.361 2.128 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000637894116 351765422 /nfs/dbraw/zinc/76/54/22/351765422.db2.gz OPHOVZDPMCHDLC-GFCCVEGCSA-N 0 1 221.348 2.459 20 0 BEADMN CC[C@H]1CCCN1C(=O)c1oc(CN)cc1C ZINC000637944308 351819511 /nfs/dbraw/zinc/81/95/11/351819511.db2.gz KIXQSKDGNQTPER-JTQLQIEISA-N 0 1 236.315 2.061 20 0 BEADMN Cn1c(CN2CCCOCC2)cc2ccccc21 ZINC000637952459 351827313 /nfs/dbraw/zinc/82/73/13/351827313.db2.gz VFUATDNZHUUVJH-UHFFFAOYSA-N 0 1 244.338 2.401 20 0 BEADMN c1cc(CN2CCC[C@H](c3cc[nH]n3)C2)sn1 ZINC000637952530 351827642 /nfs/dbraw/zinc/82/76/42/351827642.db2.gz RWLQCVYOBSMMGO-JTQLQIEISA-N 0 1 248.355 2.246 20 0 BEADMN Cc1cc(CN)oc1C(=O)N(C(C)C)C1CC1 ZINC000637930472 351806851 /nfs/dbraw/zinc/80/68/51/351806851.db2.gz OPUVAXGUGXMQFC-UHFFFAOYSA-N 0 1 236.315 2.060 20 0 BEADMN COCCN(Cc1ccns1)CC(C)C ZINC000637932629 351811738 /nfs/dbraw/zinc/81/17/38/351811738.db2.gz RSEFWEANMPKPRT-UHFFFAOYSA-N 0 1 228.361 2.248 20 0 BEADMN CCOCCN(C)Cc1ccc2c(n1)CCC2 ZINC000577833710 366076698 /nfs/dbraw/zinc/07/66/98/366076698.db2.gz TYESIOVFPYVSIB-UHFFFAOYSA-N 0 1 234.343 2.039 20 0 BEADMN CCN(Cc1ccnn1C(C)C)C1CC1 ZINC000279560143 351817631 /nfs/dbraw/zinc/81/76/31/351817631.db2.gz FDWVFPNOJQIXHP-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CCCC[C@@H](C)C(=O)Nc1nc(SC)n[nH]1 ZINC000282362993 351931064 /nfs/dbraw/zinc/93/10/64/351931064.db2.gz WFTDCDXXXMGFPL-SSDOTTSWSA-N 0 1 242.348 2.291 20 0 BEADMN CCC[C@H](C[N@H+]1CCSC[C@@H]1C)OC ZINC000638081558 351957543 /nfs/dbraw/zinc/95/75/43/351957543.db2.gz AJFLQWQGRSJDAE-WDEREUQCSA-N 0 1 217.378 2.239 20 0 BEADMN CCC[C@@H](CN1CCO[C@H](CCC)C1)OC ZINC000638096871 351977160 /nfs/dbraw/zinc/97/71/60/351977160.db2.gz SHIJRNCEMSCYFD-QWHCGFSZSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ncc([C@@H](C)N2CCCOC[C@@H]2C)c(C)n1 ZINC000638100617 351980412 /nfs/dbraw/zinc/98/04/12/351980412.db2.gz KLYWMWVWAXKGAH-CMPLNLGQSA-N 0 1 249.358 2.265 20 0 BEADMN CCN1C[C@H](C)N(Cc2ccns2)C[C@H]1C ZINC000638101811 351982856 /nfs/dbraw/zinc/98/28/56/351982856.db2.gz RBJNCENISLZLOJ-MNOVXSKESA-N 0 1 239.388 2.058 20 0 BEADMN CC(C)CN(C)C(=O)c1ccc2cncn2c1 ZINC000284531120 351999816 /nfs/dbraw/zinc/99/98/16/351999816.db2.gz OFCDFABDOSAXDI-UHFFFAOYSA-N 0 1 231.299 2.062 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000638190792 352055689 /nfs/dbraw/zinc/05/56/89/352055689.db2.gz SBAFYHNJSQQLFD-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CCc1nccs1)Cc1ccns1 ZINC000638153317 352017345 /nfs/dbraw/zinc/01/73/45/352017345.db2.gz NLIUJHJRWRDJJZ-UHFFFAOYSA-N 0 1 239.369 2.274 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CCCOC2)n1 ZINC000339395181 191145550 /nfs/dbraw/zinc/14/55/50/191145550.db2.gz KWIRQACCQSYUAY-UWVGGRQHSA-N 0 1 239.319 2.010 20 0 BEADMN CCCCOCCCNCc1ncc(C)o1 ZINC000638302109 352133685 /nfs/dbraw/zinc/13/36/85/352133685.db2.gz XPAGEMHMGHGBCV-UHFFFAOYSA-N 0 1 226.320 2.279 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286446837 352089320 /nfs/dbraw/zinc/08/93/20/352089320.db2.gz RQSGGHDBGQJAKV-DTWKUNHWSA-N 0 1 238.335 2.117 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286446835 352089363 /nfs/dbraw/zinc/08/93/63/352089363.db2.gz RQSGGHDBGQJAKV-BDAKNGLRSA-N 0 1 238.335 2.117 20 0 BEADMN CCc1cc(CNC[C@H](CC(C)C)OC)on1 ZINC000638273278 352110993 /nfs/dbraw/zinc/11/09/93/352110993.db2.gz GIFUPHBHSQHXOC-LBPRGKRZSA-N 0 1 240.347 2.388 20 0 BEADMN CCC[C@H](CNCc1cc(CC)no1)OC ZINC000638275993 352113140 /nfs/dbraw/zinc/11/31/40/352113140.db2.gz UTOXUKQQYQWXKW-LLVKDONJSA-N 0 1 226.320 2.142 20 0 BEADMN CCN1CCN(C(=O)c2ccccc2C)[C@H](C)C1 ZINC000288615410 352158769 /nfs/dbraw/zinc/15/87/69/352158769.db2.gz XKVQNBWDVWAULC-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CC1(C)CN(Cc2ccncc2)[C@H]1[C@H]1CCCO1 ZINC000289917250 352202652 /nfs/dbraw/zinc/20/26/52/352202652.db2.gz UMLRTPTVFPHSBK-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN CCN(Cc1cncc(F)c1)C[C@H](C)OC ZINC000291068513 352259094 /nfs/dbraw/zinc/25/90/94/352259094.db2.gz LGSLPAKUSASMHG-JTQLQIEISA-N 0 1 226.295 2.078 20 0 BEADMN CCN(Cc1cnc(C)s1)C[C@@H](C)OC ZINC000291147825 352262865 /nfs/dbraw/zinc/26/28/65/352262865.db2.gz ZCLUMJRHDDTVSY-SECBINFHSA-N 0 1 228.361 2.308 20 0 BEADMN Cc1scc(CNC2(C)COC2)c1C ZINC000630072253 363155071 /nfs/dbraw/zinc/15/50/71/363155071.db2.gz DBCXMCBUTLEZCT-UHFFFAOYSA-N 0 1 211.330 2.243 20 0 BEADMN Cc1cnc(CNCCCOC2CCCC2)o1 ZINC000638455721 352265759 /nfs/dbraw/zinc/26/57/59/352265759.db2.gz YVTQSIYHYYPPRD-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN Cc1ncc(CN2CCC(CCF)CC2)n1C ZINC000630073003 363156322 /nfs/dbraw/zinc/15/63/22/363156322.db2.gz OTOVWIRACSVRAM-UHFFFAOYSA-N 0 1 239.338 2.300 20 0 BEADMN CCCN(CCC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411161413 191165344 /nfs/dbraw/zinc/16/53/44/191165344.db2.gz BUAMRBYVSLOYHG-VIFPVBQESA-N 0 1 210.325 2.296 20 0 BEADMN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)on1 ZINC000630075640 363160155 /nfs/dbraw/zinc/16/01/55/363160155.db2.gz ZDIDLTSXXKSLCH-VIFPVBQESA-N 0 1 230.258 2.364 20 0 BEADMN CCCN(CCC)[C@H](C)c1nnnn1C1CC1 ZINC000411168605 191166069 /nfs/dbraw/zinc/16/60/69/191166069.db2.gz QISCTQDJYIGDGB-SNVBAGLBSA-N 0 1 237.351 2.191 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)c1cc(C)[nH]n1 ZINC000290889202 352247287 /nfs/dbraw/zinc/24/72/87/352247287.db2.gz ALZWODPCUYHIIG-SNVBAGLBSA-N 0 1 223.320 2.369 20 0 BEADMN CCCc1csc(CNC(C)(C)[C@H](C)O)n1 ZINC000309410794 187653776 /nfs/dbraw/zinc/65/37/76/187653776.db2.gz BUCUJBJJXJZQJK-VIFPVBQESA-N 0 1 242.388 2.345 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C)O1)c1nccs1 ZINC000148735472 352281891 /nfs/dbraw/zinc/28/18/91/352281891.db2.gz GWYRNIBCJOQLEK-GUBZILKMSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1nc([C@@H](C)N(C)CCC(F)(F)F)n[nH]1 ZINC000411214316 191168617 /nfs/dbraw/zinc/16/86/17/191168617.db2.gz OMRQTUULXDJWQN-ZCFIWIBFSA-N 0 1 236.241 2.058 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638487965 352298201 /nfs/dbraw/zinc/29/82/01/352298201.db2.gz SDNWYXWOHHVUPT-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(C)(C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638488980 352298276 /nfs/dbraw/zinc/29/82/76/352298276.db2.gz YOIHQZFLQJMYFD-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCNC[C@H]1C(C)C ZINC000638490380 352299905 /nfs/dbraw/zinc/29/99/05/352299905.db2.gz WYEPWWYEBNWAFT-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCNC(=O)CN(C)[C@H]1CCCc2ccccc21 ZINC000015261667 352310167 /nfs/dbraw/zinc/31/01/67/352310167.db2.gz FOJCRAUINCRYED-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000292498567 352322129 /nfs/dbraw/zinc/32/21/29/352322129.db2.gz SHKLETYKEJUJRO-CHWSQXEVSA-N 0 1 234.343 2.235 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])C[C@H]1CCCO1 ZINC000083679459 352338161 /nfs/dbraw/zinc/33/81/61/352338161.db2.gz ZJWLEIIZPJJAET-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000452867442 352375909 /nfs/dbraw/zinc/37/59/09/352375909.db2.gz OCCDUPQWYFAOOL-KXUCPTDWSA-N 0 1 248.317 2.019 20 0 BEADMN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(C)(F)F ZINC000452867440 352376005 /nfs/dbraw/zinc/37/60/05/352376005.db2.gz OCCDUPQWYFAOOL-BBBLOLIVSA-N 0 1 248.317 2.019 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1ccccn1 ZINC000411428137 191184265 /nfs/dbraw/zinc/18/42/65/191184265.db2.gz OPEPWVHTOCKYGD-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1cncs1 ZINC000411417926 191185380 /nfs/dbraw/zinc/18/53/80/191185380.db2.gz FOBXZYXEVRKGSO-LBPRGKRZSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1nc2ccccc2o1 ZINC000638581551 352411995 /nfs/dbraw/zinc/41/19/95/352411995.db2.gz QGGCIBJOWFCTJF-JQWIXIFHSA-N 0 1 248.326 2.324 20 0 BEADMN CCC[N@@H+](CC1CCC1)[C@H](C)C(=O)OCC ZINC000411639940 191198023 /nfs/dbraw/zinc/19/80/23/191198023.db2.gz AYHDUIZKDMMUNC-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@](O)(CNCc1nc2ccccc2o1)C1CC1 ZINC000638588145 352417872 /nfs/dbraw/zinc/41/78/72/352417872.db2.gz VXBGSMRCICBCFU-CQSZACIVSA-N 0 1 246.310 2.078 20 0 BEADMN CCC[C@](C)(O)CNCc1nc2ccccc2o1 ZINC000638588414 352420206 /nfs/dbraw/zinc/42/02/06/352420206.db2.gz PBRMWCQEYHFORX-AWEZNQCLSA-N 0 1 248.326 2.469 20 0 BEADMN c1cc([C@H]2CCCN2CCc2cncs2)n[nH]1 ZINC000411655813 191201791 /nfs/dbraw/zinc/20/17/91/191201791.db2.gz MYCXOSGFZRYHMD-GFCCVEGCSA-N 0 1 248.355 2.246 20 0 BEADMN CCCN(CC(C)C)C(=O)c1coc(CN)c1 ZINC000638599679 352431798 /nfs/dbraw/zinc/43/17/98/352431798.db2.gz QWWXOJGNYWUVDE-UHFFFAOYSA-N 0 1 238.331 2.247 20 0 BEADMN NCc1cc(C(=O)NCC[C@@H]2CC=CCC2)co1 ZINC000638601954 352437617 /nfs/dbraw/zinc/43/76/17/352437617.db2.gz SWDGJQHTAXRUEB-LLVKDONJSA-N 0 1 248.326 2.215 20 0 BEADMN NCc1ccc(C(=O)NCC[C@@H]2CC=CCC2)o1 ZINC000638602563 352438336 /nfs/dbraw/zinc/43/83/36/352438336.db2.gz XAHDBDVNDDKHNR-LLVKDONJSA-N 0 1 248.326 2.215 20 0 BEADMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccccn1 ZINC000293240192 187697552 /nfs/dbraw/zinc/69/75/52/187697552.db2.gz ZEVHDIWTAGKOKC-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CC(C)=C[C@H]1[C@@H](C(=O)NCc2cnc[nH]2)C1(C)C ZINC000607948773 352454691 /nfs/dbraw/zinc/45/46/91/352454691.db2.gz SFEPOBZCACEQSG-RYUDHWBXSA-N 0 1 247.342 2.264 20 0 BEADMN C[C@@H]1CCCC[C@H]1CCNCc1ncnn1C ZINC000638616205 352456470 /nfs/dbraw/zinc/45/64/70/352456470.db2.gz OPQOVXRKOZUHKW-NEPJUHHUSA-N 0 1 236.363 2.121 20 0 BEADMN CC(C)[C@@](C)(O)CNCc1nc2ccccc2o1 ZINC000638625321 352463453 /nfs/dbraw/zinc/46/34/53/352463453.db2.gz DIJXBVUKIBFUMV-AWEZNQCLSA-N 0 1 248.326 2.324 20 0 BEADMN CCCCOCCN1CCO[C@H](C2CCC2)C1 ZINC000411837766 191215741 /nfs/dbraw/zinc/21/57/41/191215741.db2.gz ACTIYGQUQGBGJL-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CC(C)(CCO)CNCc1nc2ccccc2o1 ZINC000638693258 352529985 /nfs/dbraw/zinc/52/99/85/352529985.db2.gz QQAPQEHXGKTFSM-UHFFFAOYSA-N 0 1 248.326 2.326 20 0 BEADMN C(CN1CCO[C@@H](C2CCC2)C1)OC1CCC1 ZINC000411843100 191216289 /nfs/dbraw/zinc/21/62/89/191216289.db2.gz HURZJXSFSHTBDE-CQSZACIVSA-N 0 1 239.359 2.056 20 0 BEADMN CC(C)(C)OCCN1CCO[C@@H](C2CCC2)C1 ZINC000411880722 191225446 /nfs/dbraw/zinc/22/54/46/191225446.db2.gz WAWBWTICWGJWFA-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccc(CNC2(C(=O)N(C)C)CC2)c(C)c1 ZINC000411914044 191225493 /nfs/dbraw/zinc/22/54/93/191225493.db2.gz PBUBYXHWXSQAKO-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cccc(C)c1CNC1(C(=O)N(C)C)CC1 ZINC000411911483 191229533 /nfs/dbraw/zinc/22/95/33/191229533.db2.gz KDTVMXLIMIDRFC-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cccc(C)c1CN1CCO[C@@H](CF)C1 ZINC000411853600 191220262 /nfs/dbraw/zinc/22/02/62/191220262.db2.gz LAGZYIAPXMVFKO-ZDUSSCGKSA-N 0 1 237.318 2.474 20 0 BEADMN C[C@H](C[N@@H+](C)CCCc1ccccc1)C(=O)[O-] ZINC000042705551 352624171 /nfs/dbraw/zinc/62/41/71/352624171.db2.gz FXNWGJCSANQWMT-GFCCVEGCSA-N 0 1 235.327 2.272 20 0 BEADMN c1ccc(CCN2CCO[C@H](C3CCC3)C2)nc1 ZINC000411864268 191221604 /nfs/dbraw/zinc/22/16/04/191221604.db2.gz RSJCHOVUHYCTEU-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN CCc1nc(CN(CC)Cc2occc2C)n[nH]1 ZINC000412025574 191239518 /nfs/dbraw/zinc/23/95/18/191239518.db2.gz JISKFGAAOWLCOW-UHFFFAOYSA-N 0 1 248.330 2.291 20 0 BEADMN COC1([C@H](C)NCc2nccs2)CCC1 ZINC000412030055 191241559 /nfs/dbraw/zinc/24/15/59/191241559.db2.gz ZALHZBVBJWHMHX-VIFPVBQESA-N 0 1 226.345 2.190 20 0 BEADMN CCOCCC1(CNCc2ncc(C)o2)CC1 ZINC000638776028 352722860 /nfs/dbraw/zinc/72/28/60/352722860.db2.gz LJXTXRUASPMRQU-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@H]1CC1(F)F ZINC000638777001 352723641 /nfs/dbraw/zinc/72/36/41/352723641.db2.gz AZOADAMLQOJLDK-HTQZYQBOSA-N 0 1 230.233 2.354 20 0 BEADMN C[C@H]1C[C@H](NCc2ncccc2F)CS1 ZINC000638776987 352724068 /nfs/dbraw/zinc/72/40/68/352724068.db2.gz APCCCTVRQPGYBZ-IUCAKERBSA-N 0 1 226.320 2.204 20 0 BEADMN CCc1cnc(CNC[C@H](CC)OC)s1 ZINC000336747073 352744981 /nfs/dbraw/zinc/74/49/81/352744981.db2.gz BQBFEDUMKYTSCM-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN Cc1cnc([C@@H](C)N2CCN(C3CCC3)CC2)o1 ZINC000334175910 352761348 /nfs/dbraw/zinc/76/13/48/352761348.db2.gz CTKXBPVDMDIDEN-GFCCVEGCSA-N 0 1 249.358 2.214 20 0 BEADMN C[C@]1(F)CCN(CCc2cccnc2)C1 ZINC000334177589 352763554 /nfs/dbraw/zinc/76/35/54/352763554.db2.gz CKWXQYCNRKRQTP-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN CCN(Cc1nccn1C)C1CC(C)(C)C1 ZINC000412041804 191249561 /nfs/dbraw/zinc/24/95/61/191249561.db2.gz UJUMOHAMKDYZAA-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@@H](C)C(C)(C)C1 ZINC000334221481 352824725 /nfs/dbraw/zinc/82/47/25/352824725.db2.gz UBCZEUKXBYXUJD-MNOVXSKESA-N 0 1 236.363 2.244 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000334205025 352799585 /nfs/dbraw/zinc/79/95/85/352799585.db2.gz XDILPIUUSWAOFI-SNVBAGLBSA-N 0 1 219.332 2.189 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000334206484 352802035 /nfs/dbraw/zinc/80/20/35/352802035.db2.gz WNWMUKXYQSDJAA-LBPRGKRZSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@H]1CCCN1Cc1cn(-c2ccccc2)nn1 ZINC000334206484 352802038 /nfs/dbraw/zinc/80/20/38/352802038.db2.gz WNWMUKXYQSDJAA-LBPRGKRZSA-N 0 1 242.326 2.252 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000334209618 352805734 /nfs/dbraw/zinc/80/57/34/352805734.db2.gz NCJIWPMHEKJXGK-UWVGGRQHSA-N 0 1 223.345 2.221 20 0 BEADMN CC(C)(NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000334210077 352806899 /nfs/dbraw/zinc/80/68/99/352806899.db2.gz GCJZPSALEYCMDJ-SNVBAGLBSA-N 0 1 247.342 2.134 20 0 BEADMN NCc1ccc(C(=O)NC[C@H]2CCCC23CC3)o1 ZINC000638795070 352850189 /nfs/dbraw/zinc/85/01/89/352850189.db2.gz KESYUNCQNJLTAG-SNVBAGLBSA-N 0 1 248.326 2.048 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2(CC)CC2)C[C@H]1C ZINC000334238808 352857915 /nfs/dbraw/zinc/85/79/15/352857915.db2.gz TVYFTZGBJYWFED-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cnc(C[N@@H+]2CC3(CCC3)C[C@H]2C)n1C ZINC000342842025 352871474 /nfs/dbraw/zinc/87/14/74/352871474.db2.gz BODFABZLUWPPPP-LLVKDONJSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1cnc(CN2CC3(CCC3)C[C@H]2C)n1C ZINC000342842025 352871477 /nfs/dbraw/zinc/87/14/77/352871477.db2.gz BODFABZLUWPPPP-LLVKDONJSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@@H]1CN(C(=O)C2(C)CCCC2)[C@@H](C)CN1C ZINC000334243957 352832920 /nfs/dbraw/zinc/83/29/20/352832920.db2.gz YXEYJSJPXDQXNU-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](O)[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000412091230 191257765 /nfs/dbraw/zinc/25/77/65/191257765.db2.gz PUOOZZWBRBFPQA-TZMCWYRMSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(C)o1 ZINC000334249529 352842899 /nfs/dbraw/zinc/84/28/99/352842899.db2.gz ZFQFRDZLBIKIPN-PSASIEDQSA-N 0 1 209.293 2.141 20 0 BEADMN CC(C)(NC[C@@H]1CCSC1)C(F)F ZINC000379394099 538105964 /nfs/dbraw/zinc/10/59/64/538105964.db2.gz WLTPYGOBDAIJLQ-ZETCQYMHSA-N 0 1 209.305 2.373 20 0 BEADMN CO[C@H]1CCN(c2ccnc(C)c2Cl)C1 ZINC000334286040 352925459 /nfs/dbraw/zinc/92/54/59/352925459.db2.gz CCZHKGRSZTYPOY-VIFPVBQESA-N 0 1 226.707 2.269 20 0 BEADMN Cc1ccccc1[C@@]1(F)CCN(C[C@H](C)O)C1 ZINC000334269048 352904550 /nfs/dbraw/zinc/90/45/50/352904550.db2.gz QEGSQWADKVOGBG-GXTWGEPZSA-N 0 1 237.318 2.246 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cccc2c[nH]nc21 ZINC000334302855 352939252 /nfs/dbraw/zinc/93/92/52/352939252.db2.gz BLHFUEXHQMRWQG-SNVBAGLBSA-N 0 1 229.283 2.187 20 0 BEADMN Clc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000334317340 352948164 /nfs/dbraw/zinc/94/81/64/352948164.db2.gz QFVVKCSHISSEPN-SNVBAGLBSA-N 0 1 240.734 2.213 20 0 BEADMN Cc1cc(Cl)cc(CN2CC[C@@H](O)C2)c1 ZINC000334355670 352994581 /nfs/dbraw/zinc/99/45/81/352994581.db2.gz AWSFDSYIGZDUFV-GFCCVEGCSA-N 0 1 225.719 2.215 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H](C)[C@H]2CC2(F)F)[nH]1 ZINC000638821924 353002658 /nfs/dbraw/zinc/00/26/58/353002658.db2.gz DIBYJFPOYJFBCD-BIIVOSGPSA-N 0 1 244.289 2.061 20 0 BEADMN CC(C)CC[C@](C)(O)CN[C@H](C)c1ncc[nH]1 ZINC000428245957 538107625 /nfs/dbraw/zinc/10/76/25/538107625.db2.gz KUFPHUCVOLDYPO-YPMHNXCESA-N 0 1 239.363 2.248 20 0 BEADMN COc1cccc(OC)c1CN1CC=CCC1 ZINC000638913650 353072115 /nfs/dbraw/zinc/07/21/15/353072115.db2.gz ASUBCDFHZDFQKH-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC=CCC1 ZINC000638913706 353072182 /nfs/dbraw/zinc/07/21/82/353072182.db2.gz CTHARQLEAOUYRR-LBPRGKRZSA-N 0 1 217.316 2.133 20 0 BEADMN Cn1nc2c(c1CN1CC=CCC1)CCCC2 ZINC000638915151 353074046 /nfs/dbraw/zinc/07/40/46/353074046.db2.gz ZJGKMRJONMKXIM-UHFFFAOYSA-N 0 1 231.343 2.061 20 0 BEADMN Cc1cnc(CNCCCc2nccs2)o1 ZINC000638874318 353044631 /nfs/dbraw/zinc/04/46/31/353044631.db2.gz YWCFOMFITYQPMW-UHFFFAOYSA-N 0 1 237.328 2.162 20 0 BEADMN CCCCCN(CCO)Cc1c(C)noc1C ZINC000304059249 168691609 /nfs/dbraw/zinc/69/16/09/168691609.db2.gz NVHAYKBTUULHAI-UHFFFAOYSA-N 0 1 240.347 2.276 20 0 BEADMN Cn1cncc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000334384042 353046543 /nfs/dbraw/zinc/04/65/43/353046543.db2.gz LLZOQVHRPCPKRP-CYBMUJFWSA-N 0 1 231.343 2.185 20 0 BEADMN C[C@@H](Cn1cccn1)NCc1ccc(Cl)o1 ZINC000037502755 358474490 /nfs/dbraw/zinc/47/44/90/358474490.db2.gz XPCGSEGZJRFWIS-VIFPVBQESA-N 0 1 239.706 2.308 20 0 BEADMN CCc1noc(COc2cc(C)nc(C)c2)n1 ZINC000152790962 538107958 /nfs/dbraw/zinc/10/79/58/538107958.db2.gz KSHLZYZWONSIEH-UHFFFAOYSA-N 0 1 233.271 2.223 20 0 BEADMN c1cc(CN2CCCSCC2)sn1 ZINC000638922066 353079945 /nfs/dbraw/zinc/07/99/45/353079945.db2.gz YMIXYJMOSOTQPY-UHFFFAOYSA-N 0 1 214.359 2.082 20 0 BEADMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1CC1(C)C ZINC000334468264 353116293 /nfs/dbraw/zinc/11/62/93/353116293.db2.gz FWODPLVORUOLBG-GFCCVEGCSA-N 0 1 243.310 2.205 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)n[nH]1 ZINC000334407595 353088977 /nfs/dbraw/zinc/08/89/77/353088977.db2.gz IJQCCRXKIJLJEW-SNVBAGLBSA-N 0 1 249.358 2.480 20 0 BEADMN Cn1nccc1CNCc1cccc(Cl)c1 ZINC000047892332 180845346 /nfs/dbraw/zinc/84/53/46/180845346.db2.gz FFSBAZPXMYBGEO-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176947606 187994414 /nfs/dbraw/zinc/99/44/14/187994414.db2.gz KZLONKRYUDGMFL-NSHDSACASA-N 0 1 249.358 2.374 20 0 BEADMN C=Cn1cc(CN(C)CCc2nccs2)cn1 ZINC000194048612 188005641 /nfs/dbraw/zinc/00/56/41/188005641.db2.gz HESZWNIVDZETRT-UHFFFAOYSA-N 0 1 248.355 2.115 20 0 BEADMN CC(C)Cc1noc(CN2C[C@H](C)C[C@H]2C)n1 ZINC000336698990 188010779 /nfs/dbraw/zinc/01/07/79/188010779.db2.gz KTJSMLLSDWSPON-GHMZBOCLSA-N 0 1 237.347 2.498 20 0 BEADMN CC(C)COCCN1C[C@@H](C)OC(C)(C)C1 ZINC000336664833 188010859 /nfs/dbraw/zinc/01/08/59/188010859.db2.gz HLHUNOYEWWINCP-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)COCCN1CC(C)(C)OC[C@H]1C ZINC000337418614 188014692 /nfs/dbraw/zinc/01/46/92/188014692.db2.gz OTPBRIYBADVNRW-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)C[C@@H](C)CN1CCN(C(C)C)C(=O)C1 ZINC000337206791 188014955 /nfs/dbraw/zinc/01/49/55/188014955.db2.gz NFLWBOZIPNIOBL-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN COc1ccc(CN2CCCC3(CCC3)C2)nn1 ZINC000338355317 188017315 /nfs/dbraw/zinc/01/73/15/188017315.db2.gz IUDBYHSDFWBURW-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN C(C1CCC1)[C@H]1COCCN1C[C@@H]1CCCO1 ZINC000339770294 188019706 /nfs/dbraw/zinc/01/97/06/188019706.db2.gz AXCNEBHSGFUPBP-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC(=O)CC[N@H+](C)CCc1ccccc1C ZINC000258955637 188020004 /nfs/dbraw/zinc/02/00/04/188020004.db2.gz SAKJLKBSQFERMF-UHFFFAOYSA-N 0 1 219.328 2.448 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1CC[C@@H](C)C1 ZINC000265470729 188021162 /nfs/dbraw/zinc/02/11/62/188021162.db2.gz PKGOWVBFPFRFFW-YPMHNXCESA-N 0 1 233.311 2.243 20 0 BEADMN C/C=C(\C=C\C(=O)NCC[N@@H+](C)C1CC1)CC ZINC000268771442 188023771 /nfs/dbraw/zinc/02/37/71/188023771.db2.gz LUHMKBGNSZYYFS-WHBGTBAYSA-N 0 1 236.359 2.109 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2cccc(COC)c2)C[C@H]1O ZINC000270931556 188024988 /nfs/dbraw/zinc/02/49/88/188024988.db2.gz QETIHLZWYBNIPC-HUUCEWRRSA-N 0 1 249.354 2.036 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000280503003 188031290 /nfs/dbraw/zinc/03/12/90/188031290.db2.gz NASMUEYUARSNBG-NSHDSACASA-N 0 1 248.374 2.317 20 0 BEADMN CC(C)(C)[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000280503003 188031292 /nfs/dbraw/zinc/03/12/92/188031292.db2.gz NASMUEYUARSNBG-NSHDSACASA-N 0 1 248.374 2.317 20 0 BEADMN CC(C)=CCN[C@@]1(CO)CCOc2ccccc21 ZINC000281650510 188032932 /nfs/dbraw/zinc/03/29/32/188032932.db2.gz JTROJKMXMZLAAP-OAHLLOKOSA-N 0 1 247.338 2.213 20 0 BEADMN CC(C)[C@H](O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000283859357 188033096 /nfs/dbraw/zinc/03/30/96/188033096.db2.gz HWSNAPUWNHRCNX-WCQYABFASA-N 0 1 222.332 2.091 20 0 BEADMN C[N@@H+](CCc1cscn1)[C@H](CO)C(C)(C)C ZINC000284158220 188033307 /nfs/dbraw/zinc/03/33/07/188033307.db2.gz WIIGXNGBIIQXMX-LLVKDONJSA-N 0 1 242.388 2.024 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](C[C@H]1CCCO1)CCO2 ZINC000285531123 188034012 /nfs/dbraw/zinc/03/40/12/188034012.db2.gz KWZBNHCFHUEYST-CQSZACIVSA-N 0 1 247.338 2.368 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@H]1CCCO1)CCO2 ZINC000285531123 188034013 /nfs/dbraw/zinc/03/40/13/188034013.db2.gz KWZBNHCFHUEYST-CQSZACIVSA-N 0 1 247.338 2.368 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(C(C)=O)cc1 ZINC000295357002 188039528 /nfs/dbraw/zinc/03/95/28/188039528.db2.gz RFRUXROMJWZLFS-NSHDSACASA-N 0 1 235.327 2.356 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCCC[C@H]1C ZINC000295743087 188039547 /nfs/dbraw/zinc/03/95/47/188039547.db2.gz OYLDXXZSSZQGCG-TZMCWYRMSA-N 0 1 246.354 2.396 20 0 BEADMN C(=C/c1ccccc1)\CN1CCc2n[nH]cc2C1 ZINC000299727293 188042423 /nfs/dbraw/zinc/04/24/23/188042423.db2.gz VEVVUSYZSPYCDD-QPJJXVBHSA-N 0 1 239.322 2.481 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000042707253 188042994 /nfs/dbraw/zinc/04/29/94/188042994.db2.gz PSFYIZOXYJYGTN-LBPRGKRZSA-N 0 1 235.327 2.456 20 0 BEADMN CCc1nc(SCc2nc(C)c(C)o2)n[nH]1 ZINC000048988919 353159356 /nfs/dbraw/zinc/15/93/56/353159356.db2.gz KDNDADHEJVSIIU-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CCc1n[nH]c(SCc2nc(C)c(C)o2)n1 ZINC000048988919 353159359 /nfs/dbraw/zinc/15/93/59/353159359.db2.gz KDNDADHEJVSIIU-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN Cc1oncc1CN1CCC(CF)CC1 ZINC000336259698 188053745 /nfs/dbraw/zinc/05/37/45/188053745.db2.gz FWAIWUZOMSQKOP-UHFFFAOYSA-N 0 1 212.268 2.165 20 0 BEADMN C=Cn1cc(CN2CC3(C2)CCCC3)cn1 ZINC000336273123 188055469 /nfs/dbraw/zinc/05/54/69/188055469.db2.gz JHSQEBJVJFPHCS-UHFFFAOYSA-N 0 1 217.316 2.360 20 0 BEADMN Cc1ccsc1CNc1ncnc2[nH]cnc21 ZINC000047511141 353152657 /nfs/dbraw/zinc/15/26/57/353152657.db2.gz ANRMCJBTKNZJCM-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CC(C)C[C@H]1CCCN(Cc2cn(C)nn2)C1 ZINC000341571877 188044819 /nfs/dbraw/zinc/04/48/19/188044819.db2.gz FSLQEAGIAPOUHF-GFCCVEGCSA-N 0 1 236.363 2.073 20 0 BEADMN COC1(CNCc2nc3ccccc3o2)CCC1 ZINC000638958461 353171954 /nfs/dbraw/zinc/17/19/54/353171954.db2.gz SFKGFDJYBWGFAV-UHFFFAOYSA-N 0 1 246.310 2.487 20 0 BEADMN CC(C)c1nsc(NC[C@@H]2CC23CC3)n1 ZINC000642280016 363206686 /nfs/dbraw/zinc/20/66/86/363206686.db2.gz FAZFUBJQLURGQA-QMMMGPOBSA-N 0 1 223.345 2.295 20 0 BEADMN Cc1cc(N)cc(NC(=O)[C@@H]2CCCCN2C)c1 ZINC000638979251 353185005 /nfs/dbraw/zinc/18/50/05/353185005.db2.gz YFSJDAXMLXZSIM-ZDUSSCGKSA-N 0 1 247.342 2.000 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cncc(C)c1 ZINC000228612462 259441168 /nfs/dbraw/zinc/44/11/68/259441168.db2.gz LVRKDIBPCDMTIN-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccco1 ZINC000250101694 353267433 /nfs/dbraw/zinc/26/74/33/353267433.db2.gz XPUASFFGYIQARY-RTXFEEFZSA-N 0 1 249.310 2.497 20 0 BEADMN CCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250044308 353267538 /nfs/dbraw/zinc/26/75/38/353267538.db2.gz UZDHXANCFBAERG-AXFHLTTASA-N 0 1 211.305 2.114 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCCC(C)(C)C1 ZINC000353315409 188235094 /nfs/dbraw/zinc/23/50/94/188235094.db2.gz PLVWAJWYYNPORZ-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)(C)[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000355353664 188236533 /nfs/dbraw/zinc/23/65/33/188236533.db2.gz JROOZDHBAHVQGF-LLVKDONJSA-N 0 1 249.362 2.019 20 0 BEADMN C=Cn1cc(CNCc2cccs2)cn1 ZINC000194343621 188258965 /nfs/dbraw/zinc/25/89/65/188258965.db2.gz VAENEDBGTAOHML-UHFFFAOYSA-N 0 1 219.313 2.335 20 0 BEADMN Cc1ccc([C@@H](C)NCC2(C)OCCO2)o1 ZINC000179567153 188253400 /nfs/dbraw/zinc/25/34/00/188253400.db2.gz UFYFHFOWASJNJX-SNVBAGLBSA-N 0 1 225.288 2.002 20 0 BEADMN Cc1nn(C(C)C)cc1CN[C@H](C)CF ZINC000288486782 188268003 /nfs/dbraw/zinc/26/80/03/188268003.db2.gz QKAPQGQAYVQVPQ-SECBINFHSA-N 0 1 213.300 2.220 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccccc1F ZINC000070944196 188305507 /nfs/dbraw/zinc/30/55/07/188305507.db2.gz NEDWMUVKZQCSDI-UHFFFAOYSA-N 0 1 224.279 2.104 20 0 BEADMN CC(C)[C@H](C(=O)Nc1ccccc1)N(C)C ZINC000072577037 188306643 /nfs/dbraw/zinc/30/66/43/188306643.db2.gz BQYGDARNFLOMEA-GFCCVEGCSA-N 0 1 220.316 2.211 20 0 BEADMN CN(CCc1ccncc1)Cc1ccns1 ZINC000639042220 353324024 /nfs/dbraw/zinc/32/40/24/353324024.db2.gz VNGQLBJPOIGQJG-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@H](C3CC3)C2)o1 ZINC000639049801 353344868 /nfs/dbraw/zinc/34/48/68/353344868.db2.gz BBCAUTVKSTZFGX-RYUDHWBXSA-N 0 1 236.315 2.030 20 0 BEADMN CCC[C@@H](CN[C@H](CCO)c1ccco1)OC ZINC000639052551 353353283 /nfs/dbraw/zinc/35/32/83/353353283.db2.gz JEIUZZLYAIGPFW-NWDGAFQWSA-N 0 1 241.331 2.108 20 0 BEADMN CC[N@@H+](C[C@H](C)CS(C)(=O)=O)CC(C)(C)C ZINC000336664549 188357589 /nfs/dbraw/zinc/35/75/89/188357589.db2.gz PGSZZGRPNAXSHM-NSHDSACASA-N 0 1 249.420 2.035 20 0 BEADMN Cc1nnc([C@@H]2CCCCN2CC(C)C)[nH]1 ZINC000334508839 353395175 /nfs/dbraw/zinc/39/51/75/353395175.db2.gz HMYCKHXZQSERLS-NSHDSACASA-N 0 1 222.336 2.296 20 0 BEADMN COCCN(CCSC)Cc1ccc(C)o1 ZINC000177558619 188341812 /nfs/dbraw/zinc/34/18/12/188341812.db2.gz ONPBJEFZSIKCFC-UHFFFAOYSA-N 0 1 243.372 2.399 20 0 BEADMN CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C1CC1 ZINC000179485507 188343800 /nfs/dbraw/zinc/34/38/00/188343800.db2.gz GWLCRVBVBHQYRX-UHFFFAOYSA-N 0 1 238.356 2.220 20 0 BEADMN N#Cc1cc(CN2C3CCC2CC3)ccn1 ZINC000398935550 353372042 /nfs/dbraw/zinc/37/20/42/353372042.db2.gz VSGMAKNDHWLSIU-UHFFFAOYSA-N 0 1 213.284 2.080 20 0 BEADMN COC[C@@H](NC1CSC1)c1ccccc1 ZINC000308912864 491050309 /nfs/dbraw/zinc/05/03/09/491050309.db2.gz FCMCJCCAIOFAQY-GFCCVEGCSA-N 0 1 223.341 2.079 20 0 BEADMN C/C=C(/CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000188302796 188349279 /nfs/dbraw/zinc/34/92/79/188349279.db2.gz ZOTQBOVJJLKLMF-BVBCSLMJSA-N 0 1 235.331 2.122 20 0 BEADMN CCOC(=O)C[C@@H](C)CNc1cccc(C)n1 ZINC000192162333 188350987 /nfs/dbraw/zinc/35/09/87/188350987.db2.gz OPLNLHWWRGVJIR-SNVBAGLBSA-N 0 1 236.315 2.391 20 0 BEADMN OCCC1(CNCc2nc3ccccc3o2)CC1 ZINC000639077224 353399104 /nfs/dbraw/zinc/39/91/04/353399104.db2.gz YSPVCAXEEFUZFA-UHFFFAOYSA-N 0 1 246.310 2.080 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(F)c1 ZINC000639075147 353399594 /nfs/dbraw/zinc/39/95/94/353399594.db2.gz XYPPAWJCVVBZLJ-BXUZGUMPSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)[C@H](C)C2)c(F)c1 ZINC000639075147 353399597 /nfs/dbraw/zinc/39/95/97/353399597.db2.gz XYPPAWJCVVBZLJ-BXUZGUMPSA-N 0 1 237.318 2.337 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1C[C@@H](C)[C@H]1C ZINC000339566346 188368237 /nfs/dbraw/zinc/36/82/37/188368237.db2.gz IZRWXEVOARCPIU-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1csc(CN[C@@H](C)c2cc[nH]c(=O)c2)n1 ZINC000339459762 188368634 /nfs/dbraw/zinc/36/86/34/188368634.db2.gz TUCJAWCIEWUCRN-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN c1ncn2c1CN(C[C@H]1CC=CCC1)CC2 ZINC000291436674 188390312 /nfs/dbraw/zinc/39/03/12/188390312.db2.gz BPCIARGWEQETSZ-LBPRGKRZSA-N 0 1 217.316 2.055 20 0 BEADMN CC(C)=CCCNC(=O)c1ccc2[nH]nnc2c1 ZINC000276654955 188380660 /nfs/dbraw/zinc/38/06/60/188380660.db2.gz VATNJXXYNGVJIH-UHFFFAOYSA-N 0 1 244.298 2.044 20 0 BEADMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1cn[nH]c1 ZINC000281478909 188384956 /nfs/dbraw/zinc/38/49/56/188384956.db2.gz VFRRPQWIKZJMOF-JTQLQIEISA-N 0 1 247.346 2.346 20 0 BEADMN CCC1(NC(=O)c2ccc3cncn3c2)CCC1 ZINC000284264751 188385277 /nfs/dbraw/zinc/38/52/77/188385277.db2.gz HCWGZISQBIZSSO-UHFFFAOYSA-N 0 1 243.310 2.397 20 0 BEADMN COc1ccncc1CN1CCC(C)CC1 ZINC000287347139 188388625 /nfs/dbraw/zinc/38/86/25/188388625.db2.gz OXFMSTBLYCFSEK-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CC(C)=CCNCc1cc(F)ncc1F ZINC000296863038 188394807 /nfs/dbraw/zinc/39/48/07/188394807.db2.gz PCOIBBQDOAWZIW-UHFFFAOYSA-N 0 1 212.243 2.416 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2ncnn2C)cc1 ZINC000639096464 353485933 /nfs/dbraw/zinc/48/59/33/353485933.db2.gz FFHKDNRZWSYECO-LBPRGKRZSA-N 0 1 244.342 2.017 20 0 BEADMN CC[N@@H+](CCCF)C1CCC(C(=O)[O-])CC1 ZINC000572498616 324134759 /nfs/dbraw/zinc/13/47/59/324134759.db2.gz YUBNUCZFTDSJEE-UHFFFAOYSA-N 0 1 231.311 2.311 20 0 BEADMN CCN(CC(=O)N1CCC(C)(C)CC1)C1CC1 ZINC000343305251 353518988 /nfs/dbraw/zinc/51/89/88/353518988.db2.gz NXLBZYIFMNUFLN-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN COc1cccc(CN2CC[C@@H]2C2CC2)n1 ZINC000449424525 324139677 /nfs/dbraw/zinc/13/96/77/324139677.db2.gz FDELTXYCTACUDC-GFCCVEGCSA-N 0 1 218.300 2.075 20 0 BEADMN CS[C@@H]1CC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000230917851 353547330 /nfs/dbraw/zinc/54/73/30/353547330.db2.gz YUXMZGXTUYLAOG-JGVFFNPUSA-N 0 1 249.343 2.049 20 0 BEADMN C[C@@H](C[NH2+]Cc1cnn[n-]1)C1CCCCC1 ZINC000398416582 363236095 /nfs/dbraw/zinc/23/60/95/363236095.db2.gz SQWCIUJQALYCJP-JTQLQIEISA-N 0 1 222.336 2.111 20 0 BEADMN CCC[C@H]([NH2+]Cc1cnn[n-]1)[C@H]1CC1(C)C ZINC000398423917 363237191 /nfs/dbraw/zinc/23/71/91/363237191.db2.gz WMMNNFCDZHXJDN-MNOVXSKESA-N 0 1 222.336 2.109 20 0 BEADMN Cc1cc(CNC2CC(F)(F)C2)sn1 ZINC000639105653 353599604 /nfs/dbraw/zinc/59/96/04/353599604.db2.gz UMYQGVZZXHKXNI-UHFFFAOYSA-N 0 1 218.272 2.339 20 0 BEADMN C[C@H]1CSCCN(Cc2ccns2)C1 ZINC000639102075 353557114 /nfs/dbraw/zinc/55/71/14/353557114.db2.gz LRKGUBYECFBWTH-SECBINFHSA-N 0 1 228.386 2.328 20 0 BEADMN CN(Cc1cn[nH]c1)Cc1ccccc1 ZINC000085825597 491053668 /nfs/dbraw/zinc/05/36/68/491053668.db2.gz DKMMZJHJKDDYLW-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN CC(C)[C@@H]1N(Cc2cnccn2)CC1(C)C ZINC000334517527 353639110 /nfs/dbraw/zinc/63/91/10/353639110.db2.gz HOZOSNSGRPXZOQ-LBPRGKRZSA-N 0 1 219.332 2.343 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cc1nccn1C ZINC000334515904 353606976 /nfs/dbraw/zinc/60/69/76/353606976.db2.gz RYRSFSVKRRHTEQ-NSHDSACASA-N 0 1 219.332 2.185 20 0 BEADMN c1nc(C2CC2)ncc1CN1CCC12CCC2 ZINC000334516384 353613856 /nfs/dbraw/zinc/61/38/56/353613856.db2.gz IMVWUBMKTLKMRJ-UHFFFAOYSA-N 0 1 229.327 2.482 20 0 BEADMN CC[C@H]1CCCN1CC(=O)c1cccn1C ZINC000037914440 358479950 /nfs/dbraw/zinc/47/99/50/358479950.db2.gz AXQDEMMQVFIEMT-NSHDSACASA-N 0 1 220.316 2.082 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@H]1CC2CCC1CC2 ZINC000398472256 363251000 /nfs/dbraw/zinc/25/10/00/363251000.db2.gz XOOMLSMTHYOKMK-ZUYNKMSQSA-N 0 1 234.347 2.109 20 0 BEADMN Fc1cccc2c1CN(CCc1cn[nH]c1)CC2 ZINC000298557708 181006686 /nfs/dbraw/zinc/00/66/86/181006686.db2.gz VPYJFBPDTKYVAI-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN Fc1cccc(F)c1CNCCc1cnccn1 ZINC000341254102 181000160 /nfs/dbraw/zinc/00/01/60/181000160.db2.gz FGQNUWXCNVIXSX-UHFFFAOYSA-N 0 1 249.264 2.087 20 0 BEADMN Fc1cccc2c1CN(CCn1ccnc1)CC2 ZINC000157864824 181006398 /nfs/dbraw/zinc/00/63/98/181006398.db2.gz HTQJCFRSMKRMKY-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Fc1ccccc1CCN1CCSCC1 ZINC000121317166 181011837 /nfs/dbraw/zinc/01/18/37/181011837.db2.gz MMEVPOKOIYCBEI-UHFFFAOYSA-N 0 1 225.332 2.417 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1c2c(nn1C)CCCC2 ZINC000639121724 353771725 /nfs/dbraw/zinc/77/17/25/353771725.db2.gz VZBVDEQQIGYUCO-QWRGUYRKSA-N 0 1 233.359 2.282 20 0 BEADMN CC1(C)CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000083854845 353799599 /nfs/dbraw/zinc/79/95/99/353799599.db2.gz SWBQXQAHWRGIGG-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CCC[N@@H+](CC1CC1)CC1(CC(=O)[O-])CC1 ZINC000083854742 353799954 /nfs/dbraw/zinc/79/99/54/353799954.db2.gz FGKBJQDKTIOQHW-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@@H]1CC=CCC1 ZINC000353827952 353831545 /nfs/dbraw/zinc/83/15/45/353831545.db2.gz QRCIFRBYYAZLBF-IATRGZMQSA-N 0 1 241.400 2.184 20 0 BEADMN Fc1cncc(CN[C@H]2CCC[C@H]2F)c1 ZINC000334341308 181020768 /nfs/dbraw/zinc/02/07/68/181020768.db2.gz OGHVQZDLLUJUFG-MNOVXSKESA-N 0 1 212.243 2.201 20 0 BEADMN CCC(CC)CC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000343377185 353874420 /nfs/dbraw/zinc/87/44/20/353874420.db2.gz SUDMDYHPLYSQAE-MRVPVSSYSA-N 0 1 238.335 2.117 20 0 BEADMN CC[C@@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314704702 259449847 /nfs/dbraw/zinc/44/98/47/259449847.db2.gz SEYQUTPQZNUEHR-SFYZADRCSA-N 0 1 242.344 2.379 20 0 BEADMN CCC1CN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000334523011 353890982 /nfs/dbraw/zinc/89/09/82/353890982.db2.gz XDKQLZDIUATJCT-UHFFFAOYSA-N 0 1 244.342 2.188 20 0 BEADMN COCC1(NCc2cc(C3CC3)no2)CCC1 ZINC000639148603 353852244 /nfs/dbraw/zinc/85/22/44/353852244.db2.gz GFRBVECGQXJJKR-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN CC(=O)c1ccc(N[C@H]2CCCN(C)[C@H]2C)nc1 ZINC000343500853 353914787 /nfs/dbraw/zinc/91/47/87/353914787.db2.gz FTZJINYGFVQDCP-GWCFXTLKSA-N 0 1 247.342 2.179 20 0 BEADMN CN(Cc1ccco1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343636130 353949559 /nfs/dbraw/zinc/94/95/59/353949559.db2.gz BHAXIWRKHPCWOE-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343594243 353942596 /nfs/dbraw/zinc/94/25/96/353942596.db2.gz IIPLJPXGKADRDQ-QMMMGPOBSA-N 0 1 221.304 2.158 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@H](C)C[C@@H]1C ZINC000343695571 353965953 /nfs/dbraw/zinc/96/59/53/353965953.db2.gz XSEMFADDKALZEK-MNOVXSKESA-N 0 1 236.363 2.227 20 0 BEADMN CC(C)(C)[C@H](O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000343764336 353978217 /nfs/dbraw/zinc/97/82/17/353978217.db2.gz KSCYRZFMOAMWAS-NEPJUHHUSA-N 0 1 243.391 2.140 20 0 BEADMN CCc1cc(C)c(C(=O)NCc2cn[nH]c2C)o1 ZINC000178535350 366136312 /nfs/dbraw/zinc/13/63/12/366136312.db2.gz UHUAYOCQWLFYAZ-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)CC(C)(C)O1 ZINC000334548115 353986917 /nfs/dbraw/zinc/98/69/17/353986917.db2.gz NXUUYOGCIRYPHD-SNVBAGLBSA-N 0 1 240.372 2.185 20 0 BEADMN COc1cncc(CN(C)[C@H]2CC2(C)C)c1 ZINC000343777802 353987000 /nfs/dbraw/zinc/98/70/00/353987000.db2.gz YDLDVJJIHHRTPM-LBPRGKRZSA-N 0 1 220.316 2.321 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1nc2ccccc2o1 ZINC000334552036 353992484 /nfs/dbraw/zinc/99/24/84/353992484.db2.gz ISPSBDLYJSXMEV-QMTHXVAHSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN(C)CCCO)o1 ZINC000053427103 363284725 /nfs/dbraw/zinc/28/47/25/363284725.db2.gz BXQBRNYWNHEKOF-CMPLNLGQSA-N 0 1 223.316 2.217 20 0 BEADMN COc1cccc2c1n[nH]c2C(=O)OC(C)C ZINC000343657570 353955824 /nfs/dbraw/zinc/95/58/24/353955824.db2.gz QSABLHRYMZJCET-UHFFFAOYSA-N 0 1 234.255 2.137 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCCO)o1 ZINC000053427090 363284609 /nfs/dbraw/zinc/28/46/09/363284609.db2.gz BXQBRNYWNHEKOF-PWSUYJOCSA-N 0 1 223.316 2.217 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@H](C)CC2)[nH]1 ZINC000334556053 354001696 /nfs/dbraw/zinc/00/16/96/354001696.db2.gz KGBACSRVRRCWHB-UWVGGRQHSA-N 0 1 222.336 2.296 20 0 BEADMN CO[C@@H](C)CN(C)[C@H](C)c1cnc(C)nc1C ZINC000639165043 354010154 /nfs/dbraw/zinc/01/01/54/354010154.db2.gz BBIOFLGQLGUBRR-GXSJLCMTSA-N 0 1 237.347 2.121 20 0 BEADMN Cn1cc(CNCc2cc3ccccc3[nH]2)cn1 ZINC000343856754 354023288 /nfs/dbraw/zinc/02/32/88/354023288.db2.gz ULSCDGHZBJTEOB-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CC3)C2)n1C1CC1 ZINC000344001009 354066965 /nfs/dbraw/zinc/06/69/65/354066965.db2.gz GCMHTLPTYRBIRX-LBPRGKRZSA-N 0 1 246.358 2.153 20 0 BEADMN CCC(CC)N(CC)Cc1ncccn1 ZINC000344027001 354088858 /nfs/dbraw/zinc/08/88/58/354088858.db2.gz KLCKIQYQQCUHBT-UHFFFAOYSA-N 0 1 207.321 2.487 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344059595 354128741 /nfs/dbraw/zinc/12/87/41/354128741.db2.gz LOYOHGRNMUULAL-PWSUYJOCSA-N 0 1 225.332 2.060 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2cc(C)on2)C1(C)C ZINC000344070459 354131937 /nfs/dbraw/zinc/13/19/37/354131937.db2.gz SMAHGVFTQVOKQC-YUSALJHKSA-N 0 1 238.331 2.132 20 0 BEADMN CCn1nncc1CN1CC[C@H](C)C(C)(C)C1 ZINC000334567660 354090298 /nfs/dbraw/zinc/09/02/98/354090298.db2.gz SQOZPZSJEYZIAI-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN CN(CC(=O)c1cccn1C)C[C@H]1CC=CCC1 ZINC000344033305 354096949 /nfs/dbraw/zinc/09/69/49/354096949.db2.gz FPWLHKHGYMJOLM-ZDUSSCGKSA-N 0 1 246.354 2.496 20 0 BEADMN CC(C)C1(C)CCN(Cc2cnnn2C)CC1 ZINC000334576611 354109966 /nfs/dbraw/zinc/10/99/66/354109966.db2.gz RISJNRWIPYDTDO-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN CCn1nncc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000334560149 354111604 /nfs/dbraw/zinc/11/16/04/354111604.db2.gz KESDDRNSOFGPMU-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1nncc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000334560145 354111646 /nfs/dbraw/zinc/11/16/46/354111646.db2.gz KESDDRNSOFGPMU-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cnccn1 ZINC000334560792 354113988 /nfs/dbraw/zinc/11/39/88/354113988.db2.gz FYMRUYPZKILSEQ-NHYWBVRUSA-N 0 1 239.322 2.500 20 0 BEADMN C[C@H]1CCC[C@H]1CNCc1csnn1 ZINC000230658174 363316998 /nfs/dbraw/zinc/31/69/98/363316998.db2.gz ZURWCJIWDQSWRL-IUCAKERBSA-N 0 1 211.334 2.064 20 0 BEADMN CCn1cncc1C[N@H+]1CCC2(CCC2)C1 ZINC000334577996 354122233 /nfs/dbraw/zinc/12/22/33/354122233.db2.gz KQNYAZDUTGVEIW-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCOC1CC(NCc2cnc(C3CC3)o2)C1 ZINC000449707993 202006434 /nfs/dbraw/zinc/00/64/34/202006434.db2.gz TVYAVIURUUVYHR-UHFFFAOYSA-N 0 1 236.315 2.209 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nccnc2OC)C1 ZINC000449717571 202008313 /nfs/dbraw/zinc/00/83/13/202008313.db2.gz IIRPCOBAYLRONH-NWDGAFQWSA-N 0 1 249.358 2.496 20 0 BEADMN CC(C)[C@H](C)CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000344256086 354191350 /nfs/dbraw/zinc/19/13/50/354191350.db2.gz VSFARCCRDQQRDO-MNOVXSKESA-N 0 1 249.358 2.065 20 0 BEADMN CCCCN(CCCO)Cc1ccns1 ZINC000639175098 354191542 /nfs/dbraw/zinc/19/15/42/354191542.db2.gz IJKLGRHJXXUJEH-UHFFFAOYSA-N 0 1 228.361 2.128 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000344256089 354191573 /nfs/dbraw/zinc/19/15/73/354191573.db2.gz VSFARCCRDQQRDO-QWRGUYRKSA-N 0 1 249.358 2.065 20 0 BEADMN Cc1cc([C@@H](C)NCCc2nc(C)oc2C)no1 ZINC000519037172 259453222 /nfs/dbraw/zinc/45/32/22/259453222.db2.gz SLRUOEUKJFZBQI-SECBINFHSA-N 0 1 249.314 2.481 20 0 BEADMN Fc1ccccc1NCCCNCc1ncc[nH]1 ZINC000344279096 354199632 /nfs/dbraw/zinc/19/96/32/354199632.db2.gz UZFLVUOYRPLKGY-UHFFFAOYSA-N 0 1 248.305 2.141 20 0 BEADMN C[C@@H](N[C@@H]1CC12CCCC2)c1ccn(C)n1 ZINC000334582880 354202900 /nfs/dbraw/zinc/20/29/00/354202900.db2.gz YLOUHNWHOXMLRM-ZYHUDNBSSA-N 0 1 219.332 2.403 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000334585598 354209112 /nfs/dbraw/zinc/20/91/12/354209112.db2.gz SMILDAVDDHGABC-PWSUYJOCSA-N 0 1 237.299 2.273 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000344421594 354252969 /nfs/dbraw/zinc/25/29/69/354252969.db2.gz KYFPCXFMNNRAJS-XQQFMLRXSA-N 0 1 240.391 2.220 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC2CC2)[C@H](C)C1 ZINC000344426862 354253731 /nfs/dbraw/zinc/25/37/31/354253731.db2.gz QFGVJHYBEBBUAB-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H](C)C(C)(C)C ZINC000055483455 1172172300 /nfs/dbraw/zinc/17/23/00/1172172300.db2.gz GCSBROLLCPBNSE-SNVBAGLBSA-N 0 1 215.337 2.304 20 0 BEADMN C[C@H]1c2cccn2CCN1CC[C@H]1CCOC1 ZINC000334596811 354230853 /nfs/dbraw/zinc/23/08/53/354230853.db2.gz YSCSXGOMVMFZMG-STQMWFEESA-N 0 1 234.343 2.291 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC[C@H]1CCOC1 ZINC000334596808 354230889 /nfs/dbraw/zinc/23/08/89/354230889.db2.gz YSCSXGOMVMFZMG-OLZOCXBDSA-N 0 1 234.343 2.291 20 0 BEADMN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)n(C)n1 ZINC000334598512 354233640 /nfs/dbraw/zinc/23/36/40/354233640.db2.gz LXNGIHGDYJVKDG-QWRGUYRKSA-N 0 1 239.388 2.054 20 0 BEADMN CCn1cncc1CN1CCS[C@H](C)[C@H]1C ZINC000334611858 354294789 /nfs/dbraw/zinc/29/47/89/354294789.db2.gz UMIBRJZLGFQNAN-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN CC[C@@H](NCc1cnn(C)c1)c1ccncc1 ZINC000344558805 354295910 /nfs/dbraw/zinc/29/59/10/354295910.db2.gz YWGISTJDZTVPDD-CYBMUJFWSA-N 0 1 230.315 2.056 20 0 BEADMN C[C@@H]1CC[S@](=O)CCN1CC1(C)CCC1 ZINC000334619846 354309035 /nfs/dbraw/zinc/30/90/35/354309035.db2.gz OOHMDYMWTVCGCD-ABAIWWIYSA-N 0 1 229.389 2.020 20 0 BEADMN CC1(C)CCC(SCc2nn[nH]n2)CC1 ZINC000344442686 354274428 /nfs/dbraw/zinc/27/44/28/354274428.db2.gz CAWIPVIFLJNVMX-UHFFFAOYSA-N 0 1 226.349 2.402 20 0 BEADMN CC(=O)CCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344526059 354279393 /nfs/dbraw/zinc/27/93/93/354279393.db2.gz KFFBNMXFXMRTDN-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN Cc1cc(CN2CCC(C(F)F)CC2)n(C)n1 ZINC000334602379 354281546 /nfs/dbraw/zinc/28/15/46/354281546.db2.gz LDQZYHKCOAWULD-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN CO[C@@H]1CCC[C@@H]1Sc1nc(C2CC2)n[nH]1 ZINC000344728065 354345775 /nfs/dbraw/zinc/34/57/75/354345775.db2.gz HUCSFQKKNKVSAV-BDAKNGLRSA-N 0 1 239.344 2.342 20 0 BEADMN CO[C@@H]1CCC[C@@H]1Sc1n[nH]c(C2CC2)n1 ZINC000344728065 354345777 /nfs/dbraw/zinc/34/57/77/354345777.db2.gz HUCSFQKKNKVSAV-BDAKNGLRSA-N 0 1 239.344 2.342 20 0 BEADMN Cc1ccc2[nH]c(CNCc3cc[nH]c3)nc2c1 ZINC000344745029 354348624 /nfs/dbraw/zinc/34/86/24/354348624.db2.gz VNHCTYQZYNWLOJ-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN Cc1ccc2nc(CNCc3cc[nH]c3)[nH]c2c1 ZINC000344745029 354348630 /nfs/dbraw/zinc/34/86/30/354348630.db2.gz VNHCTYQZYNWLOJ-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN CC(C)[C@@H](CO)CNCc1nc2ccccc2o1 ZINC000639184768 354361102 /nfs/dbraw/zinc/36/11/02/354361102.db2.gz DKYQWLVZOWICPK-LLVKDONJSA-N 0 1 248.326 2.182 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000334677743 354422049 /nfs/dbraw/zinc/42/20/49/354422049.db2.gz HYQCVWIOIPPGBQ-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN CO[C@H]1CCN(Cc2ccncc2F)C[C@H]1C ZINC000334737253 354539088 /nfs/dbraw/zinc/53/90/88/354539088.db2.gz CBXNMQLUFGWVJA-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@@H]1CCN(Cc2ccncc2F)C[C@H]1C ZINC000334737254 354539398 /nfs/dbraw/zinc/53/93/98/354539398.db2.gz CBXNMQLUFGWVJA-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC000334738551 354540686 /nfs/dbraw/zinc/54/06/86/354540686.db2.gz NTMFUVPCLTWQRF-OCCSQVGLSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2occc2C)C[C@@H]1C ZINC000334738453 354540796 /nfs/dbraw/zinc/54/07/96/354540796.db2.gz LWVAAWSDNRLFHX-RYUDHWBXSA-N 0 1 223.316 2.445 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000334738549 354540850 /nfs/dbraw/zinc/54/08/50/354540850.db2.gz NTMFUVPCLTWQRF-GXTWGEPZSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1C ZINC000334738324 354541315 /nfs/dbraw/zinc/54/13/15/354541315.db2.gz JGGJKCHQCRYUHL-FZMZJTMJSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000334738437 354541406 /nfs/dbraw/zinc/54/14/06/354541406.db2.gz LMBOFUVYLIGWMX-TVQRCGJNSA-N 0 1 238.331 2.148 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC000334738566 354541428 /nfs/dbraw/zinc/54/14/28/354541428.db2.gz OGLCIFGPRGJEQF-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CCN(Cc2cncc(F)c2)C[C@H]1C ZINC000334738566 354541429 /nfs/dbraw/zinc/54/14/29/354541429.db2.gz OGLCIFGPRGJEQF-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000334709072 354504046 /nfs/dbraw/zinc/50/40/46/354504046.db2.gz YMEWTRCBFNSRDF-KOLCDFICSA-N 0 1 232.331 2.057 20 0 BEADMN CC1(C)CC=C(C(=O)NCc2cnc[nH]2)CC1 ZINC000334716664 354515534 /nfs/dbraw/zinc/51/55/34/354515534.db2.gz YHXDOVQVNRKMGJ-UHFFFAOYSA-N 0 1 233.315 2.162 20 0 BEADMN Fc1cccc2c1CN(C[C@H]1CCOC1)C2 ZINC000334798104 354553450 /nfs/dbraw/zinc/55/34/50/354553450.db2.gz VAIHIRMPROLUJX-SNVBAGLBSA-N 0 1 221.275 2.178 20 0 BEADMN Cc1nc([C@H](C)N2CCc3ccccc32)n[nH]1 ZINC000334808055 354565003 /nfs/dbraw/zinc/56/50/03/354565003.db2.gz TZWBZULMYLASOB-VIFPVBQESA-N 0 1 228.299 2.237 20 0 BEADMN Cc1nc([C@H](C)N2CC[C@@H](C)C(F)(F)C2)n[nH]1 ZINC000334810880 354568364 /nfs/dbraw/zinc/56/83/64/354568364.db2.gz AXXCXCRSXCEUJW-SFYZADRCSA-N 0 1 244.289 2.151 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2cnc[nH]2)CC12CCCC2 ZINC000334767962 354589104 /nfs/dbraw/zinc/58/91/04/354589104.db2.gz WEBXSFJIRHDSLC-GFCCVEGCSA-N 0 1 247.342 2.451 20 0 BEADMN c1c(CN2CC(C3CC3)C2)onc1C1CC1 ZINC000639196776 354598833 /nfs/dbraw/zinc/59/88/33/354598833.db2.gz QSYLVFFZJNSKKF-UHFFFAOYSA-N 0 1 218.300 2.394 20 0 BEADMN CC(C)N(Cc1ccns1)[C@H]1CCOC1 ZINC000639198070 354599329 /nfs/dbraw/zinc/59/93/29/354599329.db2.gz ZZGWUJSZZZYXNX-JTQLQIEISA-N 0 1 226.345 2.142 20 0 BEADMN CCC(CC)(CC)CNC(=O)[C@H]1CCCN1C ZINC000345378913 354645862 /nfs/dbraw/zinc/64/58/62/354645862.db2.gz KEWUMZCULKPHJJ-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H]1CCN1Cc1cncc(OC)c1C ZINC000639202913 354609197 /nfs/dbraw/zinc/60/91/97/354609197.db2.gz NLBHZIFNDOKKGE-LBPRGKRZSA-N 0 1 220.316 2.383 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC(C2CCC2)C1 ZINC000335102785 354686277 /nfs/dbraw/zinc/68/62/77/354686277.db2.gz AZJDEHLITABUSK-UHFFFAOYSA-N 0 1 245.326 2.159 20 0 BEADMN Cc1cncc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000335110812 354697533 /nfs/dbraw/zinc/69/75/33/354697533.db2.gz CGEOJECGEWSARS-OAHLLOKOSA-N 0 1 247.386 2.162 20 0 BEADMN C[C@]1(C(=O)Nc2ccc(F)c(F)c2O)C[C@H]1F ZINC000335114898 354703584 /nfs/dbraw/zinc/70/35/84/354703584.db2.gz INOPZGLEBWJVBJ-HQJQHLMTSA-N 0 1 245.200 2.357 20 0 BEADMN CCC[C@@H](CN(C)Cc1conc1CC)OC ZINC000639209149 354716240 /nfs/dbraw/zinc/71/62/40/354716240.db2.gz NWJAPJAORUXTFG-LBPRGKRZSA-N 0 1 240.347 2.484 20 0 BEADMN COC[C@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166010858 354733601 /nfs/dbraw/zinc/73/36/01/354733601.db2.gz GKANQWLRHUOLGH-KWQFWETISA-N 0 1 241.718 2.398 20 0 BEADMN CO[C@@H](CNCc1cc(C2CC2)no1)C1CC1 ZINC000639209291 354726898 /nfs/dbraw/zinc/72/68/98/354726898.db2.gz SGGPYBXGHMCIID-ZDUSSCGKSA-N 0 1 236.315 2.067 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000345605780 354728543 /nfs/dbraw/zinc/72/85/43/354728543.db2.gz SZWYMGDPHOCRPI-PWSUYJOCSA-N 0 1 249.358 2.203 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H](C)[C@@H]2C)nn1 ZINC000335134130 354781755 /nfs/dbraw/zinc/78/17/55/354781755.db2.gz PRJRTRDSMRQOGT-MNOVXSKESA-N 0 1 222.336 2.089 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3scnc32)n[nH]1 ZINC000623896627 354792387 /nfs/dbraw/zinc/79/23/87/354792387.db2.gz XFXPMKVOYZYZPT-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@@H](C)C(C)C)C[C@@H]1C ZINC000345948226 354817601 /nfs/dbraw/zinc/81/76/01/354817601.db2.gz HRPCSYWBXQUORD-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN CCCCC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000345971602 354824361 /nfs/dbraw/zinc/82/43/61/354824361.db2.gz WCBCEBKUSJANDC-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC(C)C)C[C@H]1C ZINC000345982664 354832450 /nfs/dbraw/zinc/83/24/50/354832450.db2.gz MXTKCKPNGWLURU-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](N[C@H](C)C[C@H]1CCCC(=O)N1)C(F)F ZINC000639214429 354793277 /nfs/dbraw/zinc/79/32/77/354793277.db2.gz PNLRGKYXUAZEIL-BBBLOLIVSA-N 0 1 248.317 2.067 20 0 BEADMN CCc1cnc(CN(C[C@@H](C)O)C(C)C)s1 ZINC000346173947 354868458 /nfs/dbraw/zinc/86/84/58/354868458.db2.gz BXMHOLSWFFYIJQ-SNVBAGLBSA-N 0 1 242.388 2.297 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CCNC(=O)[C@H]2C)C1 ZINC000346227893 354874690 /nfs/dbraw/zinc/87/46/90/354874690.db2.gz YOKZRRMVBLPHEH-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000233976616 363410523 /nfs/dbraw/zinc/41/05/23/363410523.db2.gz MQFNVYYNDWAMFB-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN O[C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)o3)C[C@@H]12 ZINC000346313477 354893345 /nfs/dbraw/zinc/89/33/45/354893345.db2.gz INPBVMBCSKOWNR-FBIMIBRVSA-N 0 1 241.718 2.136 20 0 BEADMN C[C@H]1CCCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623198090 354910319 /nfs/dbraw/zinc/91/03/19/354910319.db2.gz CCVWITXRPCMTKD-SCVCMEIPSA-N 0 1 247.342 2.087 20 0 BEADMN CN(Cc1cnccn1)C1CC(C)(C)C1 ZINC000335166705 354924713 /nfs/dbraw/zinc/92/47/13/354924713.db2.gz JUZZCNBACZWJKX-UHFFFAOYSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc2n[nH]cc21 ZINC000335167845 354928669 /nfs/dbraw/zinc/92/86/69/354928669.db2.gz JHGBFKBETCWSNC-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000335177683 354947631 /nfs/dbraw/zinc/94/76/31/354947631.db2.gz KWFVQORJMMZBMF-BETUJISGSA-N 0 1 248.374 2.481 20 0 BEADMN Cc1c(Cl)c(CN[C@H]2CC[C@H](F)C2)nn1C ZINC000335177886 354948506 /nfs/dbraw/zinc/94/85/06/354948506.db2.gz PFKIDUFNWSCBGE-IUCAKERBSA-N 0 1 245.729 2.362 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623201476 354952630 /nfs/dbraw/zinc/95/26/30/354952630.db2.gz PKRFOOOEQUFHBD-JOYOIKCWSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)[C@H]1C ZINC000346526147 354976510 /nfs/dbraw/zinc/97/65/10/354976510.db2.gz PJCXNJMKYWTOLD-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CC[C@H]2CCCO2)n1 ZINC000346532064 354978178 /nfs/dbraw/zinc/97/81/78/354978178.db2.gz SHHLTGFWFVYSSC-NEPJUHHUSA-N 0 1 235.331 2.116 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CC[C@@H]2CCCO2)n1 ZINC000346532068 354978612 /nfs/dbraw/zinc/97/86/12/354978612.db2.gz SHHLTGFWFVYSSC-RYUDHWBXSA-N 0 1 235.331 2.116 20 0 BEADMN CC[N@@H+]1CCC[C@@H](NCc2ccc(C)o2)C1 ZINC000040502100 358492821 /nfs/dbraw/zinc/49/28/21/358492821.db2.gz PCSMPTGVFFLDLL-GFCCVEGCSA-N 0 1 222.332 2.162 20 0 BEADMN CCC1(C(=O)N2CCN[C@H](C)C2)CCCCC1 ZINC000335197832 355031005 /nfs/dbraw/zinc/03/10/05/355031005.db2.gz OSZBKTANEFWROL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc(CCN(C)Cc2cc[nH]n2)cc1 ZINC000346645836 355018070 /nfs/dbraw/zinc/01/80/70/355018070.db2.gz QCQMXXSQTVBUTO-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN C[C@@H]1CN(C(=O)C2(C)CCCCCC2)CCN1 ZINC000335190810 355023967 /nfs/dbraw/zinc/02/39/67/355023967.db2.gz DEXFWYBISBSUAZ-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC(C)(C)C[C@H]2C)n1 ZINC000335192921 355026048 /nfs/dbraw/zinc/02/60/48/355026048.db2.gz SOHVYAFTADSPBC-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2CC(C)(C)C[C@H]2C)n1 ZINC000335192921 355026049 /nfs/dbraw/zinc/02/60/49/355026049.db2.gz SOHVYAFTADSPBC-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1cnns1 ZINC000335193430 355026664 /nfs/dbraw/zinc/02/66/64/355026664.db2.gz VGJRMGPBAPASEM-MRVPVSSYSA-N 0 1 211.334 2.159 20 0 BEADMN CC1(C)CCC(C(=O)NCc2cnc[nH]2)CC1 ZINC000335194702 355027530 /nfs/dbraw/zinc/02/75/30/355027530.db2.gz DJXOKWWGGREXNY-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335183368 355081883 /nfs/dbraw/zinc/08/18/83/355081883.db2.gz BYVDYCWOQCTTGM-ZYHUDNBSSA-N 0 1 247.342 2.162 20 0 BEADMN COc1ncccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000335218557 355057262 /nfs/dbraw/zinc/05/72/62/355057262.db2.gz QXMUSIRPGDHPDC-WCQYABFASA-N 0 1 232.327 2.465 20 0 BEADMN C[C@@H](N[C@@H]1COCC1(C)C)c1ccncc1F ZINC000335220519 355060207 /nfs/dbraw/zinc/06/02/07/355060207.db2.gz FEYVHWPEUDRETD-BXKDBHETSA-N 0 1 238.306 2.296 20 0 BEADMN Cc1nc([C@H](C)N2CCC(C)=C(C)C2)n[nH]1 ZINC000335225096 355066438 /nfs/dbraw/zinc/06/64/38/355066438.db2.gz UVVXSQTXOXHTGM-JTQLQIEISA-N 0 1 220.320 2.216 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nccs1 ZINC000449757614 202025154 /nfs/dbraw/zinc/02/51/54/202025154.db2.gz SJAWJGFHKYPQOS-NXEZZACHSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@H](c1nncn1C)N(C)CC1CCCCC1 ZINC000346854730 355139808 /nfs/dbraw/zinc/13/98/08/355139808.db2.gz XOXONWLQGINLIU-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN CC[C@@H](C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346880283 355143085 /nfs/dbraw/zinc/14/30/85/355143085.db2.gz SBBUTJISXVYNFV-SECBINFHSA-N 0 1 244.298 2.456 20 0 BEADMN CN1CCN(C(=O)CCC2CCC2)C(C)(C)C1 ZINC000346917554 355153698 /nfs/dbraw/zinc/15/36/98/355153698.db2.gz TZFKCJSFVYEUOM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@H]2C(C)C)o1 ZINC000639233213 355214802 /nfs/dbraw/zinc/21/48/02/355214802.db2.gz BSCMIQSRWPZZEU-QWRGUYRKSA-N 0 1 208.305 2.365 20 0 BEADMN Cc1nnsc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000639232373 355215314 /nfs/dbraw/zinc/21/53/14/355215314.db2.gz HEBIHKKTKFCYBC-AAEUAGOBSA-N 0 1 249.383 2.467 20 0 BEADMN Cc1nc([C@@H](C)Sc2ncc(C)cn2)n[nH]1 ZINC000412998923 191334237 /nfs/dbraw/zinc/33/42/37/191334237.db2.gz ZPLROBZZVDOFMD-SSDOTTSWSA-N 0 1 235.316 2.065 20 0 BEADMN CCc1c[nH]c(S[C@H](C)c2n[nH]c(C)n2)n1 ZINC000412997858 191333514 /nfs/dbraw/zinc/33/35/14/191333514.db2.gz IWIWDRFDZVCWSZ-ZCFIWIBFSA-N 0 1 237.332 2.252 20 0 BEADMN COc1cccnc1CN[C@@H]1CS[C@@H](C)C1 ZINC000639239787 355223442 /nfs/dbraw/zinc/22/34/42/355223442.db2.gz FHJHQLLDPYOQRS-UWVGGRQHSA-N 0 1 238.356 2.074 20 0 BEADMN CSCCCSCCN1CCOC[C@H]1C ZINC000413005332 191337691 /nfs/dbraw/zinc/33/76/91/191337691.db2.gz BBTFUGPXCMKGLU-LLVKDONJSA-N 0 1 249.445 2.193 20 0 BEADMN CC[C@H](CN1CCOC[C@@H]1c1ccccc1)OC ZINC000412975972 191346582 /nfs/dbraw/zinc/34/65/82/191346582.db2.gz GYURFGOOTSJAQG-HUUCEWRRSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@@H](NCc1nc2ccccc2o1)[C@@H](C)O ZINC000639236609 355219269 /nfs/dbraw/zinc/21/92/69/355219269.db2.gz QUJQIIQIVLYCSD-NXEZZACHSA-N 0 1 234.299 2.077 20 0 BEADMN Cc1ncc(CN(C)CCCOC(C)C)cn1 ZINC000352015174 134035998 /nfs/dbraw/zinc/03/59/98/134035998.db2.gz PHVPTCGUOBULFD-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN COC(=O)CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347593115 355250265 /nfs/dbraw/zinc/25/02/65/355250265.db2.gz GIKZNSRXYJOXTF-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000084095151 355288656 /nfs/dbraw/zinc/28/86/56/355288656.db2.gz KZKLRISGWQJGIX-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(CN2CC(C(C)(C)O)C2)c(F)c1 ZINC000639252568 355288768 /nfs/dbraw/zinc/28/87/68/355288768.db2.gz KVRVCLHFEJAQKP-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000335980770 134037536 /nfs/dbraw/zinc/03/75/36/134037536.db2.gz ZVRXUPRTZUSMBY-JTQLQIEISA-N 0 1 235.331 2.161 20 0 BEADMN Cc1ccc([C@H](C)CN2CC(C)(O)C2)cc1 ZINC000639253267 355290118 /nfs/dbraw/zinc/29/01/18/355290118.db2.gz CEOOHLLCPWMBME-GFCCVEGCSA-N 0 1 219.328 2.165 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccns1 ZINC000639253439 355290879 /nfs/dbraw/zinc/29/08/79/355290879.db2.gz OMCOFZWAGLJZHF-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN C[C@H](CCc1cccc(F)c1)N1CC(C)(O)C1 ZINC000639253887 355292869 /nfs/dbraw/zinc/29/28/69/355292869.db2.gz SVEXFZVWCCGMDN-LLVKDONJSA-N 0 1 237.318 2.213 20 0 BEADMN Cc1cc(CN2CCC[C@@H]3COC[C@@H]32)sn1 ZINC000639258716 355307119 /nfs/dbraw/zinc/30/71/19/355307119.db2.gz FRMSMGSKYCPMHK-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN CC(C)C1(CN2CCO[C@H](CF)C2)CC1 ZINC000639262604 355316822 /nfs/dbraw/zinc/31/68/22/355316822.db2.gz ZPMROOMQHOMYMY-LLVKDONJSA-N 0 1 215.312 2.093 20 0 BEADMN CCC1CN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639248968 355280118 /nfs/dbraw/zinc/28/01/18/355280118.db2.gz QLZXOEZHSMNGDX-UHFFFAOYSA-N 0 1 233.359 2.141 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)CCCC(C)C)n[nH]1 ZINC000414245801 191466195 /nfs/dbraw/zinc/46/61/95/191466195.db2.gz MQRHZKQHRCISNS-FVMDXXJSSA-N 0 1 243.376 2.359 20 0 BEADMN CCOC(=O)CCCCN[C@H](C)c1ccon1 ZINC000349238478 355372709 /nfs/dbraw/zinc/37/27/09/355372709.db2.gz JXXZQMGTKHKOJN-SNVBAGLBSA-N 0 1 240.303 2.059 20 0 BEADMN CC[C@H]1COC(C)(C)CN1Cc1cccn1C ZINC000651912014 491078486 /nfs/dbraw/zinc/07/84/86/491078486.db2.gz IDYRTCLMTHSFBB-LBPRGKRZSA-N 0 1 236.359 2.415 20 0 BEADMN c1[nH]nc2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000623238689 355383195 /nfs/dbraw/zinc/38/31/95/355383195.db2.gz QAETWEIVNWNWQM-NSHDSACASA-N 0 1 217.316 2.124 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000583508976 355346096 /nfs/dbraw/zinc/34/60/96/355346096.db2.gz ZPLFPPMOOCPQMM-GHMZBOCLSA-N 0 1 237.347 2.091 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000583508979 355346155 /nfs/dbraw/zinc/34/61/55/355346155.db2.gz ZPLFPPMOOCPQMM-WDEREUQCSA-N 0 1 237.347 2.091 20 0 BEADMN CCC[C@@H](C[N@H+]1C[C@@H](C)OC2(CCC2)C1)OC ZINC000639288891 355404607 /nfs/dbraw/zinc/40/46/07/355404607.db2.gz UEAOAVKBLAKOTA-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cn1 ZINC000335781379 355429077 /nfs/dbraw/zinc/42/90/77/355429077.db2.gz TVWIUUMEAPVQQX-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H]2CCC[C@H]21 ZINC000335786843 355436890 /nfs/dbraw/zinc/43/68/90/355436890.db2.gz AIESQBMBSKEQKG-NWDGAFQWSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1COCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335814787 355503618 /nfs/dbraw/zinc/50/36/18/355503618.db2.gz KYYNCQNXTNZOHM-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN COC1(C[C@@H](C)[N@H+]2CCc3n[nH]cc3C2)CCC1 ZINC000623241170 355485989 /nfs/dbraw/zinc/48/59/89/355485989.db2.gz JKNFULYDKYHIES-LLVKDONJSA-N 0 1 249.358 2.116 20 0 BEADMN Cc1[nH]nc2ncc(CNC(C)(C)CF)cc12 ZINC000349826885 355486058 /nfs/dbraw/zinc/48/60/58/355486058.db2.gz FMEVKLMELYUHGJ-UHFFFAOYSA-N 0 1 236.294 2.104 20 0 BEADMN COC1(C[C@H](C)[N@H+]2CCc3n[nH]cc3C2)CCC1 ZINC000623241171 355486144 /nfs/dbraw/zinc/48/61/44/355486144.db2.gz JKNFULYDKYHIES-NSHDSACASA-N 0 1 249.358 2.116 20 0 BEADMN CC[C@]1(C)CCN(C(=O)c2coc(CN)c2)C1 ZINC000335823131 355543539 /nfs/dbraw/zinc/54/35/39/355543539.db2.gz IHYBIGJPBPKGPX-CYBMUJFWSA-N 0 1 236.315 2.001 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)c2coc(CN)c2)C1 ZINC000335823132 355543679 /nfs/dbraw/zinc/54/36/79/355543679.db2.gz IHYBIGJPBPKGPX-ZDUSSCGKSA-N 0 1 236.315 2.001 20 0 BEADMN CCc1cnc(N2CCN(C(C)C)CC2)s1 ZINC000335825372 355548593 /nfs/dbraw/zinc/54/85/93/355548593.db2.gz QGJLFORRARQLNS-UHFFFAOYSA-N 0 1 239.388 2.236 20 0 BEADMN CC[C@]1(C)CCN(Cc2ncc(C)cn2)C1 ZINC000335837305 355565484 /nfs/dbraw/zinc/56/54/84/355565484.db2.gz MXUPBODJYXBOTF-CYBMUJFWSA-N 0 1 219.332 2.407 20 0 BEADMN c1ccc2oc(CN[C@@H]3C[C@H]4CC[C@@H]3O4)nc2c1 ZINC000639295137 355574465 /nfs/dbraw/zinc/57/44/65/355574465.db2.gz KWXZOMVQPAJSCV-XWIASGKRSA-N 0 1 244.294 2.237 20 0 BEADMN Cc1ccc(CN(C[C@@H](C)O)C2CC2)c(F)c1 ZINC000639301843 355643213 /nfs/dbraw/zinc/64/32/13/355643213.db2.gz IBRPHTPCMCMLSD-LLVKDONJSA-N 0 1 237.318 2.479 20 0 BEADMN NC(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000336463777 181202460 /nfs/dbraw/zinc/20/24/60/181202460.db2.gz VYKSZOZGHATZEK-LBPRGKRZSA-N 0 1 218.300 2.401 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000582186509 355655534 /nfs/dbraw/zinc/65/55/34/355655534.db2.gz FHGMMYHPZWDXDV-NTZNESFSSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)CC(C)(C)C ZINC000350181085 355621019 /nfs/dbraw/zinc/62/10/19/355621019.db2.gz JZSHVSBBASZEHO-VIFPVBQESA-N 0 1 237.347 2.407 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H](C)[C@H]2C)nn1 ZINC000335861404 355623883 /nfs/dbraw/zinc/62/38/83/355623883.db2.gz YANODSUMDOROCN-VXGBXAGGSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@H](C)C2)on1 ZINC000336006804 134049244 /nfs/dbraw/zinc/04/92/44/134049244.db2.gz NFGWIDLBPXDHRO-VIFPVBQESA-N 0 1 206.289 2.381 20 0 BEADMN C[C@@H]1CCSCC[N@@H+]1Cc1ncccc1[O-] ZINC000583591369 355704070 /nfs/dbraw/zinc/70/40/70/355704070.db2.gz MQEBPCJISGEOFO-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1Cc1ncccc1[O-] ZINC000583591369 355704074 /nfs/dbraw/zinc/70/40/74/355704074.db2.gz MQEBPCJISGEOFO-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN NC(=O)[C@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000328884076 181205757 /nfs/dbraw/zinc/20/57/57/181205757.db2.gz MPYOLRJISGYOIO-NWDGAFQWSA-N 0 1 238.331 2.111 20 0 BEADMN OCc1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC000639313344 355686130 /nfs/dbraw/zinc/68/61/30/355686130.db2.gz QRRBYICLUDKDEA-CYBMUJFWSA-N 0 1 223.291 2.113 20 0 BEADMN CC[C@@H](O)CCN[C@@H]1CCCc2scnc21 ZINC000623907323 355772919 /nfs/dbraw/zinc/77/29/19/355772919.db2.gz SVTQAMMEIHRVLK-NXEZZACHSA-N 0 1 240.372 2.271 20 0 BEADMN CC[C@@H](O)CCN[C@H]1CCCc2scnc21 ZINC000623907326 355773012 /nfs/dbraw/zinc/77/30/12/355773012.db2.gz SVTQAMMEIHRVLK-ZJUUUORDSA-N 0 1 240.372 2.271 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1nccn1C ZINC000639326127 355726110 /nfs/dbraw/zinc/72/61/10/355726110.db2.gz FJMGKCNBYSREBC-CIUDSAMLSA-N 0 1 229.274 2.114 20 0 BEADMN CCOC(=O)CN(CC)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403125032 355776448 /nfs/dbraw/zinc/77/64/48/355776448.db2.gz PPKSLEYQJDIHOK-UPJWGTAASA-N 0 1 239.359 2.308 20 0 BEADMN CC1(C)OC[C@H]2C[C@]21NCc1cc(C2CC2)no1 ZINC000639349648 355791100 /nfs/dbraw/zinc/79/11/00/355791100.db2.gz PZTUYJOTSQOOIO-YGRLFVJLSA-N 0 1 248.326 2.209 20 0 BEADMN CCOC(=O)c1ccc(CN[C@@H]2CC23CC3)o1 ZINC000425361388 191825142 /nfs/dbraw/zinc/82/51/42/191825142.db2.gz ZFBQUABERFSZGU-LLVKDONJSA-N 0 1 235.283 2.098 20 0 BEADMN CCn1ncnc1CNCC[C@@H]1CC=CCC1 ZINC000639350555 355799144 /nfs/dbraw/zinc/79/91/44/355799144.db2.gz IOOKVULTMBYGKE-GFCCVEGCSA-N 0 1 234.347 2.134 20 0 BEADMN Oc1ccc([C@@H]2CCN(Cc3ccon3)C2)cc1 ZINC000639356224 355810515 /nfs/dbraw/zinc/81/05/15/355810515.db2.gz FWXTWDHPNUDWLH-GFCCVEGCSA-N 0 1 244.294 2.370 20 0 BEADMN Cc1cc(CNCC(C)(C)F)sn1 ZINC000639358824 355813671 /nfs/dbraw/zinc/81/36/71/355813671.db2.gz RMALMSCDRXRDNM-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN CCc1noc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000608498459 355826394 /nfs/dbraw/zinc/82/63/94/355826394.db2.gz JXOJUHVFMLEYDO-GHMZBOCLSA-N 0 1 235.331 2.397 20 0 BEADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1ncc[nH]1 ZINC000639366004 355841275 /nfs/dbraw/zinc/84/12/75/355841275.db2.gz IDKCKVWGLQNGJV-RISCZKNCSA-N 0 1 245.326 2.276 20 0 BEADMN CCC1(CC)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000618667593 355849954 /nfs/dbraw/zinc/84/99/54/355849954.db2.gz JKNQDPCWAJIRPY-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C)CC1 ZINC000216542652 355877616 /nfs/dbraw/zinc/87/76/16/355877616.db2.gz HQELDWPCMQDQPG-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2ncc[nH]2)CS1 ZINC000639370720 355863546 /nfs/dbraw/zinc/86/35/46/355863546.db2.gz GIFCXGQASUPAQX-ZJUUUORDSA-N 0 1 225.361 2.029 20 0 BEADMN CC[C@]1(C)CC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000399280827 355904406 /nfs/dbraw/zinc/90/44/06/355904406.db2.gz BDMNHZAWSAOCIH-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nc3ccccc3o2)[C@@H](C)O1 ZINC000639378274 355912126 /nfs/dbraw/zinc/91/21/26/355912126.db2.gz SPTLAWRHLJZLFE-CKYFFXLPSA-N 0 1 246.310 2.483 20 0 BEADMN Cc1ccc2cc(CNC3(C)COC3)ccc2n1 ZINC000639380242 355916359 /nfs/dbraw/zinc/91/63/59/355916359.db2.gz CQHZUKFPXFKREW-UHFFFAOYSA-N 0 1 242.322 2.422 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccc(C)o2)C1 ZINC000639380469 355918595 /nfs/dbraw/zinc/91/85/95/355918595.db2.gz RWGMQWVSENOVMK-UHFFFAOYSA-N 0 1 235.327 2.446 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccnc(C)c2)C1 ZINC000639382280 355927167 /nfs/dbraw/zinc/92/71/67/355927167.db2.gz DAHFPVGGAVXXPQ-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CC1(NCc2cccc(Cl)c2)COC1 ZINC000639382739 355930027 /nfs/dbraw/zinc/93/00/27/355930027.db2.gz VUKDSGCBKPTSDG-UHFFFAOYSA-N 0 1 211.692 2.219 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2ccco2)C1 ZINC000351415699 355988058 /nfs/dbraw/zinc/98/80/58/355988058.db2.gz OQLUUINBGRJYGQ-WZRBSPASSA-N 0 1 221.300 2.309 20 0 BEADMN CCC1(CNCc2ccoc2C(=O)OC)CC1 ZINC000224899079 535294877 /nfs/dbraw/zinc/29/48/77/535294877.db2.gz NLEBTTYLELDHPY-UHFFFAOYSA-N 0 1 237.299 2.346 20 0 BEADMN COc1coc(CN2CCCC[C@@H]2C)cc1=O ZINC000351683431 356056392 /nfs/dbraw/zinc/05/63/92/356056392.db2.gz CQZVHKDIYVQJDM-JTQLQIEISA-N 0 1 237.299 2.023 20 0 BEADMN Cc1cnn(C)c1CN1CCC(C)(F)CC1 ZINC000639388860 356008515 /nfs/dbraw/zinc/00/85/15/356008515.db2.gz OHCKTRTZTHQCQX-UHFFFAOYSA-N 0 1 225.311 2.053 20 0 BEADMN Cc1nccc(CN2CCC(C)(F)CC2)n1 ZINC000639388909 356009494 /nfs/dbraw/zinc/00/94/94/356009494.db2.gz OTERBWMFNQGAEP-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN CCCCC[C@H]1CCCN1Cc1nccc(N)n1 ZINC000351541731 356012685 /nfs/dbraw/zinc/01/26/85/356012685.db2.gz XZDUBOTZJBKGFP-LBPRGKRZSA-N 0 1 248.374 2.434 20 0 BEADMN COc1cncc(CN2CCC(C)(F)CC2)c1 ZINC000639389512 356016696 /nfs/dbraw/zinc/01/66/96/356016696.db2.gz ZLCUEZNBTNYZLI-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@H](c1ccc(F)cc1)N1CCc2n[nH]nc2C1 ZINC000351610806 356027333 /nfs/dbraw/zinc/02/73/33/356027333.db2.gz XZSSZQNOISGHNW-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN Cc1cc(CN[C@@H]2CCCn3nccc32)sn1 ZINC000639398716 356120260 /nfs/dbraw/zinc/12/02/60/356120260.db2.gz YOJOXVVPUNNNCE-LLVKDONJSA-N 0 1 248.355 2.273 20 0 BEADMN CC[C@]1(C)COCCN1CCc1ccncc1 ZINC000351712463 356067359 /nfs/dbraw/zinc/06/73/59/356067359.db2.gz PNLABMOXTGCQAE-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN Cc1csc(CN2CCC[C@@H](CCO)C2)n1 ZINC000087396334 491086976 /nfs/dbraw/zinc/08/69/76/491086976.db2.gz IZCOLCCEUXWLOO-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1n[nH]cc1C(F)(F)F ZINC000632803414 356092830 /nfs/dbraw/zinc/09/28/30/356092830.db2.gz CXKAHGKOEWGSEZ-PHDIDXHHSA-N 0 1 247.220 2.051 20 0 BEADMN CCOC(=O)CN(CC[C@H](C)F)CC(C)C ZINC000351863654 356100452 /nfs/dbraw/zinc/10/04/52/356100452.db2.gz QYLPKHGOCIOGKM-NSHDSACASA-N 0 1 233.327 2.256 20 0 BEADMN C[C@@H](Nc1cc2c(cn1)CCC2)[C@H]1CCOC1 ZINC000335916409 356157459 /nfs/dbraw/zinc/15/74/59/356157459.db2.gz WDSQWCIKAZQOMX-MFKMUULPSA-N 0 1 232.327 2.407 20 0 BEADMN Fc1cccc(CSc2cn[nH]n2)c1F ZINC000336089340 134078154 /nfs/dbraw/zinc/07/81/54/134078154.db2.gz DNVSIAJBPXDCIB-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CCC(F)(F)CN1CCN(CC(C)C)CC1 ZINC000639433758 356211093 /nfs/dbraw/zinc/21/10/93/356211093.db2.gz SCVBPFLLVFZOSU-UHFFFAOYSA-N 0 1 234.334 2.305 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(Cl)o1 ZINC000336107378 134082647 /nfs/dbraw/zinc/08/26/47/134082647.db2.gz HCTWRXDEPHDYSY-BDAKNGLRSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@@H]1OCC[C@@H]1CN1CCn2cccc2[C@H]1C ZINC000639441362 356219311 /nfs/dbraw/zinc/21/93/11/356219311.db2.gz TUEZSQYBSJSPKJ-FRRDWIJNSA-N 0 1 234.343 2.290 20 0 BEADMN C[C@@H](N(C)CC(=O)Nc1ccccn1)C(C)(C)C ZINC000639448956 356228986 /nfs/dbraw/zinc/22/89/86/356228986.db2.gz ZNCJORRFJYHMTJ-LLVKDONJSA-N 0 1 249.358 2.387 20 0 BEADMN CC(=O)CN(C)CCCc1ccccc1 ZINC000639452097 356232040 /nfs/dbraw/zinc/23/20/40/356232040.db2.gz WTVGKHJRJUFEKO-UHFFFAOYSA-N 0 1 205.301 2.140 20 0 BEADMN CC1(C)CN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000639404916 356198801 /nfs/dbraw/zinc/19/88/01/356198801.db2.gz JMJAPQALRMTUGR-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000617638306 356241092 /nfs/dbraw/zinc/24/10/92/356241092.db2.gz KWZYBBAMXZDFNZ-WDEREUQCSA-N 0 1 249.358 2.382 20 0 BEADMN CC(=O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000639497429 356325858 /nfs/dbraw/zinc/32/58/58/356325858.db2.gz UHPQSRWGPWCZAY-AWEZNQCLSA-N 0 1 217.312 2.140 20 0 BEADMN C[C@H]1CCC[C@H](C)N1CC(=O)Nc1ccccn1 ZINC000639481289 356296052 /nfs/dbraw/zinc/29/60/52/356296052.db2.gz BOVUORGJWHJFIK-RYUDHWBXSA-N 0 1 247.342 2.283 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccccn1 ZINC000639494221 356318519 /nfs/dbraw/zinc/31/85/19/356318519.db2.gz AZTXQMPDWRHGNM-NWDGAFQWSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1CC(=O)Nc1ccccn1 ZINC000639505625 356333328 /nfs/dbraw/zinc/33/33/28/356333328.db2.gz YEXJVNZQRLYTJN-NWDGAFQWSA-N 0 1 247.342 2.141 20 0 BEADMN NC(=O)[C@@H](c1ccccc1)N1CCC2(CC2)CC1 ZINC000370271884 181266262 /nfs/dbraw/zinc/26/62/62/181266262.db2.gz YTKGUQDOBCBOMG-CYBMUJFWSA-N 0 1 244.338 2.089 20 0 BEADMN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccccn2)C1 ZINC000639505624 356333688 /nfs/dbraw/zinc/33/36/88/356333688.db2.gz YEXJVNZQRLYTJN-NEPJUHHUSA-N 0 1 247.342 2.141 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000352400316 356337438 /nfs/dbraw/zinc/33/74/38/356337438.db2.gz XDNGXVGWGASLOX-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN c1nc(CN2CC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000336137131 134096409 /nfs/dbraw/zinc/09/64/09/134096409.db2.gz IDHZWHXJTKZDBO-WDEREUQCSA-N 0 1 238.356 2.002 20 0 BEADMN C[C@@H]1CCN(Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639511205 356345030 /nfs/dbraw/zinc/34/50/30/356345030.db2.gz NPLNQEJCBDSPQP-ZJUUUORDSA-N 0 1 235.331 2.252 20 0 BEADMN C[C@H](N(C)CC(=O)Nc1ccccn1)C1(C)CC1 ZINC000639511560 356346822 /nfs/dbraw/zinc/34/68/22/356346822.db2.gz GEQLXXVONIJHRG-NSHDSACASA-N 0 1 247.342 2.141 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CC2)C[C@H]1C ZINC000613490116 363462496 /nfs/dbraw/zinc/46/24/96/363462496.db2.gz VBAYSTKHSMEAKN-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1C ZINC000639503549 356330023 /nfs/dbraw/zinc/33/00/23/356330023.db2.gz NDYQKMJSAMWWLB-NXEZZACHSA-N 0 1 235.331 2.110 20 0 BEADMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(C)=O ZINC000639540188 356393125 /nfs/dbraw/zinc/39/31/25/356393125.db2.gz GPLQRODHZAOTNM-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCc3cccc(F)c3C2)CC1 ZINC000580720048 358502050 /nfs/dbraw/zinc/50/20/50/358502050.db2.gz WIINDJHSNALJSZ-UHFFFAOYSA-N 0 1 249.285 2.049 20 0 BEADMN COc1ncccc1CN1CCC=C(C)C1 ZINC000336147986 134103219 /nfs/dbraw/zinc/10/32/19/134103219.db2.gz DDRJYPDCTZJWPC-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN CC[C@]1(C)COCCN1C[C@@H]1CC(C)(C)CO1 ZINC000639550919 356429881 /nfs/dbraw/zinc/42/98/81/356429881.db2.gz DTJPVINJNPMABK-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000623754078 356403975 /nfs/dbraw/zinc/40/39/75/356403975.db2.gz IWQNJHBJKKASGI-QWHCGFSZSA-N 0 1 249.358 2.121 20 0 BEADMN CC(C)CCc1nc(C2(N)CCCC2)no1 ZINC000041052991 358505180 /nfs/dbraw/zinc/50/51/80/358505180.db2.gz WRQYHYXFDSOUJN-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN Clc1cnccc1N1CCN2CCC1CC2 ZINC000190275821 356437961 /nfs/dbraw/zinc/43/79/61/356437961.db2.gz WPOJAHYOWURPLC-UHFFFAOYSA-N 0 1 237.734 2.019 20 0 BEADMN Cc1cccc(NC[C@H]2CC[C@H](C(N)=O)CC2)n1 ZINC000420613634 192249121 /nfs/dbraw/zinc/24/91/21/192249121.db2.gz ZSFDGFJZEXMHCZ-HAQNSBGRSA-N 0 1 247.342 2.094 20 0 BEADMN CC1(C)CCCCN(Cc2ncc[nH]2)C1 ZINC000336161285 134110911 /nfs/dbraw/zinc/11/09/11/134110911.db2.gz UILUQCPXHRNDIE-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN N[C@H](C(=O)N1CCCCCC1)c1ccccc1 ZINC000019512032 356483889 /nfs/dbraw/zinc/48/38/89/356483889.db2.gz YRYJHKYHAICTHW-ZDUSSCGKSA-N 0 1 232.327 2.089 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccn1 ZINC000639558647 356465181 /nfs/dbraw/zinc/46/51/81/356465181.db2.gz FTONWICVQZLBEU-VXGBXAGGSA-N 0 1 247.342 2.283 20 0 BEADMN CC[C@@H](NCC(C)=O)c1ccc(OC)cc1 ZINC000639560299 356473713 /nfs/dbraw/zinc/47/37/13/356473713.db2.gz BXQSTLUDPQUFFV-CYBMUJFWSA-N 0 1 221.300 2.325 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C[C@@H]1F ZINC000639571205 356495496 /nfs/dbraw/zinc/49/54/96/356495496.db2.gz HBWGMTNCTWGFJU-UTUOFQBUSA-N 0 1 229.339 2.481 20 0 BEADMN Cc1noc(CN2CCCCC[C@@H]2C)n1 ZINC000336172757 134115540 /nfs/dbraw/zinc/11/55/40/134115540.db2.gz SUTUNYHEXKEQMA-VIFPVBQESA-N 0 1 209.293 2.143 20 0 BEADMN CC[C@@H]1CN(CCOC(C)C)C[C@@H](CC)O1 ZINC000420946045 192276855 /nfs/dbraw/zinc/27/68/55/192276855.db2.gz LMPZJCUPJUPOQI-CHWSQXEVSA-N 0 1 229.364 2.301 20 0 BEADMN CCc1nnc(C[N@H+]2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000420959755 192282352 /nfs/dbraw/zinc/28/23/52/192282352.db2.gz FIJYGCIIGWGERS-LBPRGKRZSA-N 0 1 248.374 2.379 20 0 BEADMN CCc1nnc(CN2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000420959755 192282354 /nfs/dbraw/zinc/28/23/54/192282354.db2.gz FIJYGCIIGWGERS-LBPRGKRZSA-N 0 1 248.374 2.379 20 0 BEADMN C[C@H]1CCC[C@H]1NCc1nc(CC2CC2)no1 ZINC000639612354 356537192 /nfs/dbraw/zinc/53/71/92/356537192.db2.gz HGKAQXSSIIVXFB-GXSJLCMTSA-N 0 1 235.331 2.300 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000639612880 356537285 /nfs/dbraw/zinc/53/72/85/356537285.db2.gz LCLLKWNWXWYDJF-LLVKDONJSA-N 0 1 234.334 2.304 20 0 BEADMN CC[C@@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000336191863 134123728 /nfs/dbraw/zinc/12/37/28/134123728.db2.gz PTFHNPXEZRQFES-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)nc1 ZINC000421014214 192301565 /nfs/dbraw/zinc/30/15/65/192301565.db2.gz KFDKLGITKKPZRW-AWEZNQCLSA-N 0 1 248.370 2.375 20 0 BEADMN O=C1CCCN1[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000336197181 134126725 /nfs/dbraw/zinc/12/67/25/134126725.db2.gz YXTNKGMHQBMXCU-CQSZACIVSA-N 0 1 248.370 2.184 20 0 BEADMN OCC[C@@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC000421015456 192302635 /nfs/dbraw/zinc/30/26/35/192302635.db2.gz LJMLKUFBVLJYIG-LLVKDONJSA-N 0 1 240.372 2.128 20 0 BEADMN OCC[C@@H]1CCCN(Cc2nccs2)CC1 ZINC000421015456 192302638 /nfs/dbraw/zinc/30/26/38/192302638.db2.gz LJMLKUFBVLJYIG-LLVKDONJSA-N 0 1 240.372 2.128 20 0 BEADMN OCC[C@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000421018504 192304587 /nfs/dbraw/zinc/30/45/87/192304587.db2.gz OPJINVHTGXKJOC-ZDUSSCGKSA-N 0 1 234.343 2.066 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000449828418 202042619 /nfs/dbraw/zinc/04/26/19/202042619.db2.gz WYZBEWDNQLHHOG-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN C(CN1CC[C@]12CCOC2)OCC1CCCC1 ZINC000421020818 192305377 /nfs/dbraw/zinc/30/53/77/192305377.db2.gz NUGQAJDEJIISCH-CQSZACIVSA-N 0 1 239.359 2.058 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccon2)no1 ZINC000350595731 366306207 /nfs/dbraw/zinc/30/62/07/366306207.db2.gz MKXBHDQICQIVCF-IUCAKERBSA-N 0 1 248.286 2.097 20 0 BEADMN CCOc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421029647 192309235 /nfs/dbraw/zinc/30/92/35/192309235.db2.gz XJIFDXPDTCVOEN-OAHLLOKOSA-N 0 1 247.338 2.450 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3c2CCOC3)C1 ZINC000639661771 356575181 /nfs/dbraw/zinc/57/51/81/356575181.db2.gz FWTPWYPTXLXZNO-CYBMUJFWSA-N 0 1 235.302 2.303 20 0 BEADMN OCC1(N(Cc2ccns2)C2CC2)CCC1 ZINC000639670310 356580818 /nfs/dbraw/zinc/58/08/18/356580818.db2.gz FQXUIWMMWKEGME-UHFFFAOYSA-N 0 1 238.356 2.023 20 0 BEADMN C[C@@H]1CCN(CC(=O)Nc2ccccn2)[C@H](C)C1 ZINC000639678678 356594432 /nfs/dbraw/zinc/59/44/32/356594432.db2.gz SVHZUMYIINKCKV-VXGBXAGGSA-N 0 1 247.342 2.141 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000450047265 202071130 /nfs/dbraw/zinc/07/11/30/202071130.db2.gz UMDLBLQZABPRDX-VXGBXAGGSA-N 0 1 247.342 2.128 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)NCCN1CCC1 ZINC000450199495 202094235 /nfs/dbraw/zinc/09/42/35/202094235.db2.gz FNLWZXMDYZSQPS-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)CCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000450239432 202102122 /nfs/dbraw/zinc/10/21/22/202102122.db2.gz DRAKWQVXZZBDDW-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1CCCCN1Cc1cn(CC2CC2)nn1 ZINC000450237585 202102885 /nfs/dbraw/zinc/10/28/85/202102885.db2.gz OEQCFFSKUCFYKX-AWEZNQCLSA-N 0 1 248.374 2.453 20 0 BEADMN Cc1cccc(Cl)c1CN1CCN(C)CC1 ZINC000450239287 202104606 /nfs/dbraw/zinc/10/46/06/202104606.db2.gz DEPMKXTVEWJAPC-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN C[C@H]1CCCN(Cc2cn(CC3CC3)nn2)CC1 ZINC000450302458 202123379 /nfs/dbraw/zinc/12/33/79/202123379.db2.gz XIDCVIDUVDLMDG-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN CC1(C)CCCN1Cc1cn(CC2CC2)nn1 ZINC000450349923 202137476 /nfs/dbraw/zinc/13/74/76/202137476.db2.gz PQRQKJKRNBNGFB-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)(F)F ZINC000389480480 356688959 /nfs/dbraw/zinc/68/89/59/356688959.db2.gz FIZTZDAVBNZPMT-OPRDCNLKSA-N 0 1 232.318 2.245 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000450374349 202145571 /nfs/dbraw/zinc/14/55/71/202145571.db2.gz DZVSESVZIIHGRF-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000450374351 202146563 /nfs/dbraw/zinc/14/65/63/202146563.db2.gz DZVSESVZIIHGRF-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](O)CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000450391296 202150400 /nfs/dbraw/zinc/15/04/00/202150400.db2.gz NGEAGRJMWVQQRR-NEPJUHHUSA-N 0 1 237.318 2.386 20 0 BEADMN C[C@@H](NC[C@H]1CCCOC1)C(C)(F)F ZINC000389478794 356685092 /nfs/dbraw/zinc/68/50/92/356685092.db2.gz CKSSCZZWQOHJHY-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@H](O)CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000450391299 202152107 /nfs/dbraw/zinc/15/21/07/202152107.db2.gz NGEAGRJMWVQQRR-RYUDHWBXSA-N 0 1 237.318 2.386 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000035297232 356703821 /nfs/dbraw/zinc/70/38/21/356703821.db2.gz JBQMFVMOYTVBOB-PXYYCUNGSA-N 0 1 245.322 2.496 20 0 BEADMN CCC(=O)CCCN1CCOC[C@@H]1CC(C)C ZINC000450405731 202156568 /nfs/dbraw/zinc/15/65/68/202156568.db2.gz QUURCCNDDPXWIJ-ZDUSSCGKSA-N 0 1 241.375 2.493 20 0 BEADMN Cc1cncc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639777297 356721265 /nfs/dbraw/zinc/72/12/65/356721265.db2.gz KGRUVVXLTBEATR-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN FC(F)(F)CCN1CCC[C@H]1c1cn[nH]c1 ZINC000639778982 356726053 /nfs/dbraw/zinc/72/60/53/356726053.db2.gz WMFMVNYKDGHPSF-VIFPVBQESA-N 0 1 233.237 2.499 20 0 BEADMN CCCN1CCC[C@H]1c1nc(-c2cocn2)no1 ZINC000350873398 366356122 /nfs/dbraw/zinc/35/61/22/366356122.db2.gz NANIKYQAJDQJGM-JTQLQIEISA-N 0 1 248.286 2.272 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000450457044 202168892 /nfs/dbraw/zinc/16/88/92/202168892.db2.gz ZMGHRAMPUARIRZ-FZMZJTMJSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000450454544 202169384 /nfs/dbraw/zinc/16/93/84/202169384.db2.gz LVMGASSPPDLRAS-NWDGAFQWSA-N 0 1 248.374 2.309 20 0 BEADMN CC[C@H]1C(=O)NCCN1CCC1=CCCCC1 ZINC000450427384 202161406 /nfs/dbraw/zinc/16/14/06/202161406.db2.gz SGSIWRCQTNZQNV-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CO[C@@H](CN(C)Cc1ccns1)C1CCC1 ZINC000639810378 356788009 /nfs/dbraw/zinc/78/80/09/356788009.db2.gz WFOXSAOZCHSUPX-LBPRGKRZSA-N 0 1 240.372 2.390 20 0 BEADMN CN(CCCCF)Cc1ccns1 ZINC000639810380 356788411 /nfs/dbraw/zinc/78/84/11/356788411.db2.gz WGISXEXSPMRKHI-UHFFFAOYSA-N 0 1 202.298 2.325 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639810985 356789440 /nfs/dbraw/zinc/78/94/40/356789440.db2.gz YQTQRBCDRXSIOR-RQJHMYQMSA-N 0 1 243.257 2.218 20 0 BEADMN CN(CCC1=CCCCC1)Cc1nnc[nH]1 ZINC000450479230 202179795 /nfs/dbraw/zinc/17/97/95/202179795.db2.gz MKPUOTIUDBIBCP-UHFFFAOYSA-N 0 1 220.320 2.127 20 0 BEADMN Cc1cc(CN[C@H]2CC23CCCC3)on1 ZINC000387199595 538697061 /nfs/dbraw/zinc/69/70/61/538697061.db2.gz XCWRHYYNHWPGBD-NSHDSACASA-N 0 1 206.289 2.405 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450487484 202182208 /nfs/dbraw/zinc/18/22/08/202182208.db2.gz VBCVVXNPPNEQTH-GHMZBOCLSA-N 0 1 234.347 2.061 20 0 BEADMN CCN1CC[C@@H](N[C@@H](C)c2ccsc2)C1=O ZINC000390446319 491103645 /nfs/dbraw/zinc/10/36/45/491103645.db2.gz XTJHNLLMZWKOOI-GXSJLCMTSA-N 0 1 238.356 2.020 20 0 BEADMN CCc1nnc(SCC2(OC)CCCC2)[nH]1 ZINC000358336264 356866681 /nfs/dbraw/zinc/86/66/81/356866681.db2.gz OBRPBTUGMHBHAH-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN CCc1n[nH]c(SCC2(OC)CCCC2)n1 ZINC000358336264 356866686 /nfs/dbraw/zinc/86/66/86/356866686.db2.gz OBRPBTUGMHBHAH-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C(C)(C)C)C1 ZINC000655140926 538728958 /nfs/dbraw/zinc/72/89/58/538728958.db2.gz AJQIPPNQQXYVIX-JTQLQIEISA-N 0 1 249.358 2.093 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1cncn1C ZINC000358504167 356870659 /nfs/dbraw/zinc/87/06/59/356870659.db2.gz HKTHPJUVXQCCLF-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1ccnn1C ZINC000358515546 356870679 /nfs/dbraw/zinc/87/06/79/356870679.db2.gz YUPODKOGJZXPQL-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN CCCC[C@@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358715026 356875848 /nfs/dbraw/zinc/87/58/48/356875848.db2.gz VADWKMXVVXHGSV-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCN(Cc1ccnn1C(C)C)C[C@H](C)OC ZINC000361007951 356914272 /nfs/dbraw/zinc/91/42/72/356914272.db2.gz CHGKDQNJJLUQPT-LBPRGKRZSA-N 0 1 239.363 2.321 20 0 BEADMN CCN(Cc1ccc(C)o1)[C@H]1CCOC1 ZINC000361238465 356920445 /nfs/dbraw/zinc/92/04/45/356920445.db2.gz PIUCBTYVVZDUNI-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN CCN(Cc1cnn(C(C)C)c1)[C@H]1CCOC1 ZINC000361250140 356922164 /nfs/dbraw/zinc/92/21/64/356922164.db2.gz IDFHHLATAVJWMC-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@H](NCCOC1CCCCC1)c1ncc[nH]1 ZINC000353387797 538741214 /nfs/dbraw/zinc/74/12/14/538741214.db2.gz PMCOLANZBAKTPD-NSHDSACASA-N 0 1 237.347 2.410 20 0 BEADMN CC[C@@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC000117343703 356978917 /nfs/dbraw/zinc/97/89/17/356978917.db2.gz SRHWJSBZLPAWLP-LLVKDONJSA-N 0 1 223.320 2.390 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H](C)C(C)(C)C ZINC000399563587 356979030 /nfs/dbraw/zinc/97/90/30/356979030.db2.gz HNSCVQDZCFLVHA-NXEZZACHSA-N 0 1 215.337 2.162 20 0 BEADMN N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000019441968 356983972 /nfs/dbraw/zinc/98/39/72/356983972.db2.gz FRLAWILIGZEQKW-CYBMUJFWSA-N 0 1 244.269 2.464 20 0 BEADMN CCSCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000129851236 356986800 /nfs/dbraw/zinc/98/68/00/356986800.db2.gz GNRUWZUYLGMVDU-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CCSCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000129855847 356993690 /nfs/dbraw/zinc/99/36/90/356993690.db2.gz JMLZDESAMVKZLF-NSHDSACASA-N 0 1 245.388 2.316 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cn1)C1(C)CC1 ZINC000385264773 357043528 /nfs/dbraw/zinc/04/35/28/357043528.db2.gz YQVLCILMJQCNKS-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)(C)[C@@H](O)CN1CCC[C@@H]1c1ncccn1 ZINC000639872800 357045471 /nfs/dbraw/zinc/04/54/71/357045471.db2.gz RISDBZTXQGPTAL-NEPJUHHUSA-N 0 1 249.358 2.021 20 0 BEADMN COCC1(N[C@@H](C)c2ccc(C)o2)CC1 ZINC000389844489 357053625 /nfs/dbraw/zinc/05/36/25/357053625.db2.gz MGBMHIMROCVTJZ-JTQLQIEISA-N 0 1 209.289 2.418 20 0 BEADMN c1ccc(C[C@H]2CCN2Cc2cncnc2)cc1 ZINC000353995795 538770042 /nfs/dbraw/zinc/77/00/42/538770042.db2.gz LMWVYPPETLHHAI-OAHLLOKOSA-N 0 1 239.322 2.294 20 0 BEADMN CCC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000054460759 363571811 /nfs/dbraw/zinc/57/18/11/363571811.db2.gz TXRQTCGCGSVDOT-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCC(=O)N1CCN(CC(C)C)CC1 ZINC000054461056 363572147 /nfs/dbraw/zinc/57/21/47/363572147.db2.gz ZPQDCBGXFNWHNH-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccc(F)c(F)c1 ZINC000390624157 357108257 /nfs/dbraw/zinc/10/82/57/357108257.db2.gz JIHGGAKOILYVRV-NWDGAFQWSA-N 0 1 227.254 2.232 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccc(F)c(F)c1 ZINC000390624159 357108265 /nfs/dbraw/zinc/10/82/65/357108265.db2.gz JIHGGAKOILYVRV-VXGBXAGGSA-N 0 1 227.254 2.232 20 0 BEADMN COCCC1CCN(Cc2nccnc2C)CC1 ZINC000628384945 357067481 /nfs/dbraw/zinc/06/74/81/357067481.db2.gz SKRXVIIWOJUHAW-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(C)ccc1F ZINC000390524030 357100787 /nfs/dbraw/zinc/10/07/87/357100787.db2.gz GEQFUCUIOKLSMY-QWHCGFSZSA-N 0 1 223.291 2.401 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000356769256 538814429 /nfs/dbraw/zinc/81/44/29/538814429.db2.gz HSFCPOAVYALNEO-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN CC[N@@H+](CC(C)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000639894285 357230253 /nfs/dbraw/zinc/23/02/53/357230253.db2.gz ANBWLUGJERBCGK-UHFFFAOYSA-N 0 1 248.370 2.159 20 0 BEADMN Cc1n[nH]cc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628390075 357186457 /nfs/dbraw/zinc/18/64/57/357186457.db2.gz CIEQPERPOTYODV-DTORHVGOSA-N 0 1 243.301 2.441 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC1(C)CCC1 ZINC000393737839 357294433 /nfs/dbraw/zinc/29/44/33/357294433.db2.gz YUEFEVZHIMNWMJ-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@]1(CN2CC3(C2)CCCO3)CCCS1 ZINC000628427503 357257014 /nfs/dbraw/zinc/25/70/14/357257014.db2.gz GOQMBKQPSKSSML-NSHDSACASA-N 0 1 227.373 2.137 20 0 BEADMN C[N@@H+](Cc1nc(C(=O)[O-])cs1)C1CCCC1 ZINC000393173175 357278368 /nfs/dbraw/zinc/27/83/68/357278368.db2.gz FGRWUGTXPBPLGD-UHFFFAOYSA-N 0 1 240.328 2.216 20 0 BEADMN Cc1cccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000582732253 357375233 /nfs/dbraw/zinc/37/52/33/357375233.db2.gz UITLGKNWHRRNAC-SNVBAGLBSA-N 0 1 248.326 2.075 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000216574281 357328872 /nfs/dbraw/zinc/32/88/72/357328872.db2.gz HFUHWASFEFXIDE-JTQLQIEISA-N 0 1 239.340 2.360 20 0 BEADMN CCCCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000221883753 357399913 /nfs/dbraw/zinc/39/99/13/357399913.db2.gz QSVVIHKUSYIAGZ-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCCc1cc(C(=O)N2CCC3(CCC3)C2)n[nH]1 ZINC000157876753 538842446 /nfs/dbraw/zinc/84/24/46/538842446.db2.gz CQYRACJPGTYOSF-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN CC[N@@H+](CCSC)C1CCC(C(=O)[O-])CC1 ZINC000582915051 357435142 /nfs/dbraw/zinc/43/51/42/357435142.db2.gz JKUYXAVUFFARPA-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCCCF ZINC000397086998 357498467 /nfs/dbraw/zinc/49/84/67/357498467.db2.gz JFEWQGLDXDCYOG-MNOVXSKESA-N 0 1 231.311 2.311 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000582971245 357448015 /nfs/dbraw/zinc/44/80/15/357448015.db2.gz UZPMAXQQNIBSOT-JTQLQIEISA-N 0 1 231.295 2.007 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000582970103 357448069 /nfs/dbraw/zinc/44/80/69/357448069.db2.gz LRZNTVRBIIRMGO-AXFHLTTASA-N 0 1 245.388 2.312 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)CC(=O)[O-] ZINC000583036288 357466580 /nfs/dbraw/zinc/46/65/80/357466580.db2.gz IIBNGIUZLUTBPV-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccccc1 ZINC000397009653 357488582 /nfs/dbraw/zinc/48/85/82/357488582.db2.gz IRKFHENANQELDH-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397050553 357492176 /nfs/dbraw/zinc/49/21/76/357492176.db2.gz XUIKSGYHTNRTFT-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN CC1(C)CN(C[C@H](O)CC2CCCC2)CCO1 ZINC000188637881 357569170 /nfs/dbraw/zinc/56/91/70/357569170.db2.gz IQEBETQMHWPZSJ-CYBMUJFWSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H]1COCCN1C[C@H](O)CC1CCCC1 ZINC000188637943 357569300 /nfs/dbraw/zinc/56/93/00/357569300.db2.gz GTMXNDKBKOJSCD-ZIAGYGMSSA-N 0 1 241.375 2.038 20 0 BEADMN OC[C@H](NCc1cncc(F)c1)c1ccccc1 ZINC000230940736 357581963 /nfs/dbraw/zinc/58/19/63/357581963.db2.gz WOYXEPUUBWNYSO-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN OC[C@@H](NCc1cncc(F)c1)c1ccccc1 ZINC000230940733 357582595 /nfs/dbraw/zinc/58/25/95/357582595.db2.gz WOYXEPUUBWNYSO-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)n1 ZINC000230946087 357584918 /nfs/dbraw/zinc/58/49/18/357584918.db2.gz NADISALJZTXAPZ-ZIAGYGMSSA-N 0 1 234.343 2.125 20 0 BEADMN C[C@H](NC1CC(C)C1)c1nnc2n1CCCCC2 ZINC000231787374 357629005 /nfs/dbraw/zinc/62/90/05/357629005.db2.gz RREAHNXKCSTBLA-CXQJBGSLSA-N 0 1 248.374 2.454 20 0 BEADMN CCc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC000015258391 538871955 /nfs/dbraw/zinc/87/19/55/538871955.db2.gz UKODABRHMMJDGF-JTQLQIEISA-N 0 1 220.316 2.138 20 0 BEADMN CSc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000015258405 538872195 /nfs/dbraw/zinc/87/21/95/538872195.db2.gz UUABIMCMCVEPAU-VIFPVBQESA-N 0 1 238.356 2.297 20 0 BEADMN Cc1cc(C)cc(CN2CCCNC(=O)[C@@H]2C)c1 ZINC000189083066 357604313 /nfs/dbraw/zinc/60/43/13/357604313.db2.gz ATUQZMIQLYFQOC-ZDUSSCGKSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cnccn1 ZINC000231791461 357629898 /nfs/dbraw/zinc/62/98/98/357629898.db2.gz YQMNGNQQPTVYHT-SFYZADRCSA-N 0 1 233.237 2.468 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000685947998 538889691 /nfs/dbraw/zinc/88/96/91/538889691.db2.gz WKKDZNTZJDUJJL-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H]1CCN(Cc2nc3ccccc3o2)[C@@H]1CO ZINC000189734195 357665556 /nfs/dbraw/zinc/66/55/56/357665556.db2.gz XIKGCXNUZZQQKO-CMPLNLGQSA-N 0 1 246.310 2.031 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190040146 357687680 /nfs/dbraw/zinc/68/76/80/357687680.db2.gz BXVOOVPIKDHKFL-AAEUAGOBSA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190040124 357687798 /nfs/dbraw/zinc/68/77/98/357687798.db2.gz BXVOOVPIKDHKFL-YPMHNXCESA-N 0 1 225.332 2.204 20 0 BEADMN Clc1cnccc1CNCC1=CCOCC1 ZINC000397783386 357692064 /nfs/dbraw/zinc/69/20/64/357692064.db2.gz PMTIPYADNOUXIT-UHFFFAOYSA-N 0 1 238.718 2.171 20 0 BEADMN CCS(=O)(=O)CCCCCN1CCCCC1 ZINC000190349386 357701727 /nfs/dbraw/zinc/70/17/27/357701727.db2.gz MUAVYCVOYJXQQG-UHFFFAOYSA-N 0 1 247.404 2.077 20 0 BEADMN c1cnn([C@H]2CCCC[C@H]2NCc2cocn2)c1 ZINC000191106454 357750297 /nfs/dbraw/zinc/75/02/97/357750297.db2.gz BTVKQMZBDLRJCH-OLZOCXBDSA-N 0 1 246.314 2.145 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000191418147 357770408 /nfs/dbraw/zinc/77/04/08/357770408.db2.gz MNZOITIDQKXQQG-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CC1CC1 ZINC000191950420 357806435 /nfs/dbraw/zinc/80/64/35/357806435.db2.gz FBTLOVQNCYQCAU-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCc1cnc(CNC[C@H]2CC[C@@H](C)O2)s1 ZINC000234226998 357787295 /nfs/dbraw/zinc/78/72/95/357787295.db2.gz XIKAQHDOGLDSRT-NXEZZACHSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](CO)C(C)C)cs1 ZINC000086120356 357854295 /nfs/dbraw/zinc/85/42/95/357854295.db2.gz FWKKWQVUHXWWMI-WPRPVWTQSA-N 0 1 228.361 2.119 20 0 BEADMN CC(C)[C@H](CO)NCc1c(F)cccc1F ZINC000086121465 357854394 /nfs/dbraw/zinc/85/43/94/357854394.db2.gz TVLQWHQGTGLTMS-LBPRGKRZSA-N 0 1 229.270 2.071 20 0 BEADMN COC(=O)[C@@H](C)N(CCCSC)C1CCC1 ZINC000192386023 357831127 /nfs/dbraw/zinc/83/11/27/357831127.db2.gz NDAZNHAAEJJCJQ-SNVBAGLBSA-N 0 1 245.388 2.156 20 0 BEADMN CCN(Cc1ncnn1CC)C1CCCCC1 ZINC000193308240 357874444 /nfs/dbraw/zinc/87/44/44/357874444.db2.gz CRFFMWYOCMRBAO-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1ncnc1CN1CCC[C@H]1C1CCC1 ZINC000193332621 357877722 /nfs/dbraw/zinc/87/77/22/357877722.db2.gz HTJATTUCAYWOHO-LBPRGKRZSA-N 0 1 234.347 2.063 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC2(CCCC2)C1 ZINC000193388727 357881177 /nfs/dbraw/zinc/88/11/77/357881177.db2.gz BDVSQNYMDQYDOJ-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000399283656 357901203 /nfs/dbraw/zinc/90/12/03/357901203.db2.gz CGEVQMCTOVWYQG-CQSZACIVSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H](C(N)=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000007360120 357923605 /nfs/dbraw/zinc/92/36/05/357923605.db2.gz MWJOFNSLDMNWJK-NSHDSACASA-N 0 1 248.370 2.290 20 0 BEADMN CCc1noc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000102927145 357949437 /nfs/dbraw/zinc/94/94/37/357949437.db2.gz ZGODKCFZAODWMX-LLVKDONJSA-N 0 1 235.331 2.397 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000584451714 357970721 /nfs/dbraw/zinc/97/07/21/357970721.db2.gz GGDGGIWJCCFXHC-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000584451713 357970997 /nfs/dbraw/zinc/97/09/97/357970997.db2.gz GGDGGIWJCCFXHC-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN Cc1n[nH]cc1CN(C)CC1=CCCC1 ZINC000639972629 358031395 /nfs/dbraw/zinc/03/13/95/358031395.db2.gz XJOJDVDUSQUCHQ-UHFFFAOYSA-N 0 1 205.305 2.260 20 0 BEADMN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(C)[nH]2)C1(C)C ZINC000103255106 358033522 /nfs/dbraw/zinc/03/35/22/358033522.db2.gz DRICUEPFYYWESG-ZJUUUORDSA-N 0 1 248.330 2.290 20 0 BEADMN Cc1cc(C[N@H+](C)CC(C)C)oc1C(=O)[O-] ZINC000036812845 358052847 /nfs/dbraw/zinc/05/28/47/358052847.db2.gz FKMIPSFLGCCNMI-UHFFFAOYSA-N 0 1 225.288 2.374 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000037173647 358059755 /nfs/dbraw/zinc/05/97/55/358059755.db2.gz RAGIRZPVMABELN-VIFPVBQESA-N 0 1 225.288 2.456 20 0 BEADMN Cc1oc(C[N@@H+]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000037911362 358097604 /nfs/dbraw/zinc/09/76/04/358097604.db2.gz QIGMUUSBRMOCRQ-QMMMGPOBSA-N 0 1 223.272 2.271 20 0 BEADMN CCc1noc([C@H](C)NC(CC)CC)n1 ZINC000170835566 134253970 /nfs/dbraw/zinc/25/39/70/134253970.db2.gz AGLYCVUVWLOYBY-QMMMGPOBSA-N 0 1 211.309 2.471 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCS[C@@H](CC)C1 ZINC000222161040 358150587 /nfs/dbraw/zinc/15/05/87/358150587.db2.gz BRRZMBLZICIHDR-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(C)(F)CC1 ZINC000640071078 358154445 /nfs/dbraw/zinc/15/44/45/358154445.db2.gz WISOOVLYUYBKHI-QWRGUYRKSA-N 0 1 244.354 2.114 20 0 BEADMN CC[C@]1(O)CCCN(Cc2nc(C)oc2C)C1 ZINC000640036647 358137000 /nfs/dbraw/zinc/13/70/00/358137000.db2.gz VZMCCOPOLTVEEC-ZDUSSCGKSA-N 0 1 238.331 2.028 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])C(F)(F)F ZINC000584724576 358166096 /nfs/dbraw/zinc/16/60/96/358166096.db2.gz FUJPSAUUPJGFQG-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])C(F)(F)F ZINC000584724578 358166203 /nfs/dbraw/zinc/16/62/03/358166203.db2.gz FUJPSAUUPJGFQG-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CCC[C@@H]1CN(CC2CCC(=O)CC2)CCO1 ZINC000450619699 202214006 /nfs/dbraw/zinc/21/40/06/202214006.db2.gz BMRDSYRACKPQIZ-CQSZACIVSA-N 0 1 239.359 2.247 20 0 BEADMN Cn1ccc(CN2CCc3c(O)cccc3C2)c1 ZINC000628463299 358172232 /nfs/dbraw/zinc/17/22/32/358172232.db2.gz ACDRUUOOHFRTFX-UHFFFAOYSA-N 0 1 242.322 2.289 20 0 BEADMN CCNC(=O)[C@H](C)NCc1coc2ccccc12 ZINC000130945311 535404903 /nfs/dbraw/zinc/40/49/03/535404903.db2.gz SYYPOIORISEEPO-JTQLQIEISA-N 0 1 246.310 2.047 20 0 BEADMN CCC[C@@H]1C(=O)NCCN1CC1=CCCCC1 ZINC000450648249 202225695 /nfs/dbraw/zinc/22/56/95/202225695.db2.gz XVRTXVZSRHRAPP-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@@H](C)[C@H](C)NCc1nccc(OC)n1 ZINC000450677904 202232598 /nfs/dbraw/zinc/23/25/98/202232598.db2.gz GMPKCATXWWZYGM-ZJUUUORDSA-N 0 1 223.320 2.009 20 0 BEADMN CC[C@@H](C)[C@@H](C)NCc1nccc(OC)n1 ZINC000450677901 202232964 /nfs/dbraw/zinc/23/29/64/202232964.db2.gz GMPKCATXWWZYGM-NXEZZACHSA-N 0 1 223.320 2.009 20 0 BEADMN CCOC1CC(NCc2ncc(C)s2)C1 ZINC000224404344 358233289 /nfs/dbraw/zinc/23/32/89/358233289.db2.gz GESQVGDFSCVJQQ-UHFFFAOYSA-N 0 1 226.345 2.109 20 0 BEADMN CCC[C@H](O)C[N@@H+](C)CCc1ccccc1O ZINC000450712724 202241061 /nfs/dbraw/zinc/24/10/61/202241061.db2.gz FEURGFUOAAMOIV-ZDUSSCGKSA-N 0 1 237.343 2.028 20 0 BEADMN CCN(Cc1cn(C)nn1)CC12CCC(CC1)C2 ZINC000450721068 202243452 /nfs/dbraw/zinc/24/34/52/202243452.db2.gz VPPFSNDEZQPKEO-UHFFFAOYSA-N 0 1 248.374 2.217 20 0 BEADMN C[C@@H]([C@H](C)[NH2+]Cc1cnn[n-]1)C1CCCCC1 ZINC000450728010 202249863 /nfs/dbraw/zinc/24/98/63/202249863.db2.gz NUCQAPXNRVNDLU-QWRGUYRKSA-N 0 1 236.363 2.499 20 0 BEADMN CN(Cc1ccccc1OC1CC1)C1CC(O)C1 ZINC000450743591 202254646 /nfs/dbraw/zinc/25/46/46/202254646.db2.gz IDLSPPPARGVVJI-UHFFFAOYSA-N 0 1 247.338 2.183 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NCc1nnc(C)o1 ZINC000163196478 202252507 /nfs/dbraw/zinc/25/25/07/202252507.db2.gz LZHJANPMPBOHLQ-MNOVXSKESA-N 0 1 223.320 2.436 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cn(CC2CC2)nn1 ZINC000450762478 202259874 /nfs/dbraw/zinc/25/98/74/202259874.db2.gz HAKNEECARKMNGK-BXUZGUMPSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172951797 134271262 /nfs/dbraw/zinc/27/12/62/134271262.db2.gz QHXQKURASDNKPM-GARJFASQSA-N 0 1 239.359 2.304 20 0 BEADMN Cc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000041853507 358335869 /nfs/dbraw/zinc/33/58/69/358335869.db2.gz SCEIRVVYQZKWDY-UHFFFAOYSA-N 0 1 221.300 2.290 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000042493557 358350796 /nfs/dbraw/zinc/35/07/96/358350796.db2.gz HNJKSGOTZIGAKY-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229223921 358368602 /nfs/dbraw/zinc/36/86/02/358368602.db2.gz SOTMGOUWNGMVEY-SDDRHHMPSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@H](C[N@@H+](C)CCC(C)(C)C)C(=O)[O-] ZINC000042706731 358356144 /nfs/dbraw/zinc/35/61/44/358356144.db2.gz YKJKRSWMOWYOGE-SECBINFHSA-N 0 1 201.310 2.075 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229208568 358363734 /nfs/dbraw/zinc/36/37/34/358363734.db2.gz MVEVCUDZCXTWAE-SDDRHHMPSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227824197 358364692 /nfs/dbraw/zinc/36/46/92/358364692.db2.gz GHNIGDCGRZGOQN-JQWIXIFHSA-N 0 1 213.321 2.218 20 0 BEADMN C=C(C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229214830 358367698 /nfs/dbraw/zinc/36/76/98/358367698.db2.gz MNRKNRWWMRQBCL-SDDRHHMPSA-N 0 1 223.316 2.138 20 0 BEADMN Cc1ccsc1CCNCc1ccon1 ZINC000634974674 491132027 /nfs/dbraw/zinc/13/20/27/491132027.db2.gz HTUPRUFZAJGVDW-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000230801209 358412039 /nfs/dbraw/zinc/41/20/39/358412039.db2.gz CTWSYKGTWUCHNN-KGLIPLIRSA-N 0 1 244.338 2.220 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361069 358398084 /nfs/dbraw/zinc/39/80/84/358398084.db2.gz XVYDKWKTPRSTKM-MNOVXSKESA-N 0 1 209.289 2.034 20 0 BEADMN FC[C@@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000640155581 358439154 /nfs/dbraw/zinc/43/91/54/358439154.db2.gz XTFHPPVVNCTIES-GFCCVEGCSA-N 0 1 237.253 2.349 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000086257424 358548900 /nfs/dbraw/zinc/54/89/00/358548900.db2.gz FRQQRKVTAFGXTG-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccnc1 ZINC000044495103 358549800 /nfs/dbraw/zinc/54/98/00/358549800.db2.gz XMAZPLGYXRCXBM-MNOVXSKESA-N 0 1 230.315 2.227 20 0 BEADMN CCS(=O)(=O)CCCCCN1[C@H](C)C[C@@H]1C ZINC000547769345 325395073 /nfs/dbraw/zinc/39/50/73/325395073.db2.gz HHXXNCDLJBIRTM-TXEJJXNPSA-N 0 1 247.404 2.074 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)CC1 ZINC000231053827 358579409 /nfs/dbraw/zinc/57/94/09/358579409.db2.gz ACIAUGHJOMFKFF-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459129 358538933 /nfs/dbraw/zinc/53/89/33/358538933.db2.gz LMEASIUWDZYCNV-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1ccnc(CN)c1 ZINC000129995475 358604156 /nfs/dbraw/zinc/60/41/56/358604156.db2.gz QGQGWRQWYNJAKK-NSHDSACASA-N 0 1 249.358 2.095 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H](C)C(=O)OC(C)C ZINC000130050392 358606301 /nfs/dbraw/zinc/60/63/01/358606301.db2.gz KMPNCDRDNBJAHZ-MNOVXSKESA-N 0 1 215.337 2.304 20 0 BEADMN CCN(CC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000130204001 358614408 /nfs/dbraw/zinc/61/44/08/358614408.db2.gz YLTPFAHNNHJNCD-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1ccnc(CN)c1 ZINC000130359379 358620071 /nfs/dbraw/zinc/62/00/71/358620071.db2.gz XLFRCESVMIYVDA-QWRGUYRKSA-N 0 1 249.358 2.095 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccnc(CN)c1 ZINC000130358949 358620220 /nfs/dbraw/zinc/62/02/20/358620220.db2.gz XLFRCESVMIYVDA-WDEREUQCSA-N 0 1 249.358 2.095 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccnc(CN)c1 ZINC000130359164 358620370 /nfs/dbraw/zinc/62/03/70/358620370.db2.gz XLFRCESVMIYVDA-MNOVXSKESA-N 0 1 249.358 2.095 20 0 BEADMN C[C@@H](O)CN(C)Cc1cnc(C2CCC2)s1 ZINC000130788917 358644584 /nfs/dbraw/zinc/64/45/84/358644584.db2.gz QUECRSYCOXZNAH-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)n[nH]1 ZINC000048687537 358647339 /nfs/dbraw/zinc/64/73/39/358647339.db2.gz LULCNKQDQVBLPO-GFCCVEGCSA-N 0 1 244.298 2.024 20 0 BEADMN CCc1nc(CN[C@@H]2CCCC[C@@H]2O)cs1 ZINC000052015348 358771106 /nfs/dbraw/zinc/77/11/06/358771106.db2.gz HEDNWEFKODYRME-MNOVXSKESA-N 0 1 240.372 2.099 20 0 BEADMN Cn1ccc(CNCc2ccc(Cl)cn2)c1 ZINC000133606672 358761148 /nfs/dbraw/zinc/76/11/48/358761148.db2.gz AEKGTPJRGCPTNC-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN CCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000132489629 358724624 /nfs/dbraw/zinc/72/46/24/358724624.db2.gz UYOOZELROXHLKB-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN COc1cccc(Cl)c1CN[C@@H](C)CCO ZINC000132935687 358740177 /nfs/dbraw/zinc/74/01/77/358740177.db2.gz LBLZABBAABGYIX-VIFPVBQESA-N 0 1 243.734 2.209 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000134892945 358810370 /nfs/dbraw/zinc/81/03/70/358810370.db2.gz HDKFQPJSEOYKDX-XQJJYNOISA-N 0 1 243.372 2.260 20 0 BEADMN C[C@H]1CCC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000134989872 358814252 /nfs/dbraw/zinc/81/42/52/358814252.db2.gz OYGQIPANNBWEGA-QWRGUYRKSA-N 0 1 234.347 2.069 20 0 BEADMN Cc1nnc([C@@H](C)NC2CCCC2)s1 ZINC000135004733 358815702 /nfs/dbraw/zinc/81/57/02/358815702.db2.gz COBOYDWTWAQLPS-SSDOTTSWSA-N 0 1 211.334 2.440 20 0 BEADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nccc(N)n1 ZINC000135098582 358820095 /nfs/dbraw/zinc/82/00/95/358820095.db2.gz TUKPTVLIIGLAHM-WDEREUQCSA-N 0 1 234.347 2.069 20 0 BEADMN COC(=O)CN(CC1CCCCC1)C1CC1 ZINC000052245038 358777427 /nfs/dbraw/zinc/77/74/27/358777427.db2.gz HIGWADGMVQRZPU-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN C[C@H](CC1CC1)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134345292 358787429 /nfs/dbraw/zinc/78/74/29/358787429.db2.gz VEYLZRGTOPZRIA-KOLCDFICSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1cc(Cc2nc(-c3ccccc3)no2)[nH]n1 ZINC000176472268 134291883 /nfs/dbraw/zinc/29/18/83/134291883.db2.gz LMCYGXNKNRGZFI-UHFFFAOYSA-N 0 1 240.266 2.359 20 0 BEADMN Cn1ncnc1CN1CC[C@]1(C)C1CCCCC1 ZINC000640217803 358859385 /nfs/dbraw/zinc/85/93/85/358859385.db2.gz ADKMXKFKKDPQKY-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN O=C([O-])CCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000176928874 134295124 /nfs/dbraw/zinc/29/51/24/134295124.db2.gz ACVBEAAVLBVIQX-MNOVXSKESA-N 0 1 243.372 2.211 20 0 BEADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000578300346 366477302 /nfs/dbraw/zinc/47/73/02/366477302.db2.gz QODVEFBUOPHRSP-ZRUFSTJUSA-N 0 1 235.331 2.471 20 0 BEADMN CC(C)CSCCC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000578329664 366519664 /nfs/dbraw/zinc/51/96/64/366519664.db2.gz KUOBCRDMYIXEAW-LLVKDONJSA-N 0 1 247.404 2.418 20 0 BEADMN C[C@H](CC1CC1)NC(=O)CN1CCC(C)CC1 ZINC000137257476 358894482 /nfs/dbraw/zinc/89/44/82/358894482.db2.gz SXQIMXQURXAYNA-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(CNCc2cccc(O)c2)cn1 ZINC000057591379 358905530 /nfs/dbraw/zinc/90/55/30/358905530.db2.gz UZSXOCWZKBUYIM-UHFFFAOYSA-N 0 1 228.295 2.385 20 0 BEADMN CCO[C@@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)C12CCC2 ZINC000138993551 358909513 /nfs/dbraw/zinc/90/95/13/358909513.db2.gz AIMUMLSQDLLNAU-SDDRHHMPSA-N 0 1 249.358 2.408 20 0 BEADMN CC[C@H](C(N)=O)N(C)Cc1cccc(Cl)c1 ZINC000061679190 358936117 /nfs/dbraw/zinc/93/61/17/358936117.db2.gz VOMDBLOKRJCNKN-LLVKDONJSA-N 0 1 240.734 2.036 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000177982571 134302274 /nfs/dbraw/zinc/30/22/74/134302274.db2.gz JKSWUVZBTIHVLV-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H]1CCCN([C@H](C)C(=O)OC)C1 ZINC000246481409 359115888 /nfs/dbraw/zinc/11/58/88/359115888.db2.gz HPDHWTCIFLUORL-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1CCCCCN1CC(=O)c1cccn1C ZINC000070410658 359051941 /nfs/dbraw/zinc/05/19/41/359051941.db2.gz HSWLTRJAFGCWAN-GFCCVEGCSA-N 0 1 234.343 2.472 20 0 BEADMN CCc1noc([C@H](C)N2CCC[C@H]2C)n1 ZINC000247553693 359233986 /nfs/dbraw/zinc/23/39/86/359233986.db2.gz QEXJBJHWGRGIQZ-BDAKNGLRSA-N 0 1 209.293 2.177 20 0 BEADMN CC[C@@H]1CN(CCc2ccccn2)C[C@@H](C)O1 ZINC000247593177 359236373 /nfs/dbraw/zinc/23/63/73/359236373.db2.gz NQIBYTJBNHKVCJ-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN COC[C@H](C)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000247577517 359236481 /nfs/dbraw/zinc/23/64/81/359236481.db2.gz SKYKTYJFZCUHIO-GUTXKFCHSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@H]1CN(CCOC(C)(C)C)C[C@@H](C)O1 ZINC000247595757 359237293 /nfs/dbraw/zinc/23/72/93/359237293.db2.gz OGEGSWHDRIWVCG-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450779427 202263110 /nfs/dbraw/zinc/26/31/10/202263110.db2.gz NMGIURUKBLAZNF-OAHLLOKOSA-N 0 1 247.338 2.236 20 0 BEADMN c1csc(CC2CN(Cc3cn[nH]c3)C2)c1 ZINC000628478979 359313550 /nfs/dbraw/zinc/31/35/50/359313550.db2.gz VVYDKDPDJLXAIA-UHFFFAOYSA-N 0 1 233.340 2.146 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@H](C)[C@H]2C)n1 ZINC000248356856 359269197 /nfs/dbraw/zinc/26/91/97/359269197.db2.gz OVQLYZBTTLCNMY-AEJSXWLSSA-N 0 1 223.320 2.423 20 0 BEADMN [O-]c1cccc2c(NCCF)cc[nH+]c12 ZINC000308909682 491140050 /nfs/dbraw/zinc/14/00/50/491140050.db2.gz SRPFOGDTSHZZCU-UHFFFAOYSA-N 0 1 206.220 2.322 20 0 BEADMN Cc1ccc(-c2n[nH]c(SCCCO)n2)cc1 ZINC000078390686 359325888 /nfs/dbraw/zinc/32/58/88/359325888.db2.gz BUOGLRXFASNCSE-UHFFFAOYSA-N 0 1 249.339 2.255 20 0 BEADMN Oc1ccc([C@H]2CCN(Cc3cocn3)C2)cc1 ZINC000628481046 359343160 /nfs/dbraw/zinc/34/31/60/359343160.db2.gz MHDMBSKPUAIUKB-LBPRGKRZSA-N 0 1 244.294 2.370 20 0 BEADMN CCOC(=O)CCCN1CC[C@H](C)[C@@H](F)C1 ZINC000611501655 359384018 /nfs/dbraw/zinc/38/40/18/359384018.db2.gz GKFGKRSIJQVGNQ-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000086803012 359485020 /nfs/dbraw/zinc/48/50/20/359485020.db2.gz ZAIQBKGBNGFCCJ-GFCCVEGCSA-N 0 1 239.290 2.429 20 0 BEADMN FC1(F)CC[C@H](NCc2cscn2)C1 ZINC000306321787 359609416 /nfs/dbraw/zinc/60/94/16/359609416.db2.gz UCCKMEMAFGZJKU-ZETCQYMHSA-N 0 1 218.272 2.421 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CC(C)=C[C@H](C)C1 ZINC000430277443 192865858 /nfs/dbraw/zinc/86/58/58/192865858.db2.gz NMGUCKGENBAJAN-CMPLNLGQSA-N 0 1 225.332 2.226 20 0 BEADMN c1snnc1CNC[C@@H]1CCCC12CC2 ZINC000628494468 359673783 /nfs/dbraw/zinc/67/37/83/359673783.db2.gz PNABOAQTBFMKSM-VIFPVBQESA-N 0 1 223.345 2.208 20 0 BEADMN CCC(=O)CCCN1CCO[C@@](C)(CC)C1 ZINC000450823368 202274835 /nfs/dbraw/zinc/27/48/35/202274835.db2.gz CQARSANQFYABHX-ZDUSSCGKSA-N 0 1 227.348 2.247 20 0 BEADMN CC(C)C[C@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000450845105 202286081 /nfs/dbraw/zinc/28/60/81/202286081.db2.gz QMGVXIJGHWELTR-UUIJZJDISA-N 0 1 231.405 2.262 20 0 BEADMN C/C(=C\c1ccccc1)CN(C)Cc1c[nH]nn1 ZINC000450842500 202286331 /nfs/dbraw/zinc/28/63/31/202286331.db2.gz BTRBQVALMGBWTM-XYOKQWHBSA-N 0 1 242.326 2.340 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@H]1CCC[C@@H]1C ZINC000450852667 202289458 /nfs/dbraw/zinc/28/94/58/202289458.db2.gz ZRSLQGQIHQHGOA-AAEUAGOBSA-N 0 1 237.347 2.047 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000450884388 202296875 /nfs/dbraw/zinc/29/68/75/202296875.db2.gz RVGHMIWSQNGRIM-BXUZGUMPSA-N 0 1 239.359 2.245 20 0 BEADMN CCC(=O)CCCN1CCO[C@@H](C(C)(C)C)C1 ZINC000450885536 202299406 /nfs/dbraw/zinc/29/94/06/202299406.db2.gz UYWHZKBHEACQFD-CYBMUJFWSA-N 0 1 241.375 2.493 20 0 BEADMN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1ccco1 ZINC000082277775 359769477 /nfs/dbraw/zinc/76/94/77/359769477.db2.gz YKYRKQPCPPBCIQ-UHFFFAOYSA-N 0 1 245.160 2.274 20 0 BEADMN CCOCCN(C)Cc1cnn(CC(C)C)c1 ZINC000180743146 366541509 /nfs/dbraw/zinc/54/15/09/366541509.db2.gz ZNOKAWHRQKGGHO-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN CCC[C@@H](O)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000450976755 202322285 /nfs/dbraw/zinc/32/22/85/202322285.db2.gz DMOIULLRHVLCQY-YPMHNXCESA-N 0 1 237.347 2.098 20 0 BEADMN CC(C)=CCCN[C@H](C)c1nc(C)no1 ZINC000309102008 491144967 /nfs/dbraw/zinc/14/49/67/491144967.db2.gz GHARPEUATCYKDH-SECBINFHSA-N 0 1 209.293 2.385 20 0 BEADMN CCOC(=O)c1ccc(CN2C[C@@H](C)[C@@H]2C)nc1 ZINC000451074659 202348371 /nfs/dbraw/zinc/34/83/71/202348371.db2.gz XLESWTUSSIBPPX-MNOVXSKESA-N 0 1 248.326 2.099 20 0 BEADMN CC(C)N(C[C@H]1CCC(C)(C)O1)C1COC1 ZINC000451121039 202356464 /nfs/dbraw/zinc/35/64/64/202356464.db2.gz OXYDZKBDXCTHBA-GFCCVEGCSA-N 0 1 227.348 2.053 20 0 BEADMN CC(C)COCCN1CCC[C@@](C)(F)C1 ZINC000451118681 202358332 /nfs/dbraw/zinc/35/83/32/202358332.db2.gz YQKUNQTYKNOYEF-GFCCVEGCSA-N 0 1 217.328 2.483 20 0 BEADMN CO[C@@H](Cc1ccccc1)CN1CC[C@@H](F)C1 ZINC000451190940 202376988 /nfs/dbraw/zinc/37/69/88/202376988.db2.gz GZIMTHVKMOWRHY-KGLIPLIRSA-N 0 1 237.318 2.288 20 0 BEADMN COC[C@@]1(C)CCN([C@H](C)c2ncc(C)o2)C1 ZINC000451203317 202377658 /nfs/dbraw/zinc/37/76/58/202377658.db2.gz PMRBRBZYRMUDDB-YPMHNXCESA-N 0 1 238.331 2.402 20 0 BEADMN COC[C@]1(C)CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000451203315 202377789 /nfs/dbraw/zinc/37/77/89/202377789.db2.gz PMRBRBZYRMUDDB-WCQYABFASA-N 0 1 238.331 2.402 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000613995358 363697100 /nfs/dbraw/zinc/69/71/00/363697100.db2.gz ZAWZLNWPVAVFCZ-JTQLQIEISA-N 0 1 249.358 2.067 20 0 BEADMN CC[N@@H+](CCCC(=O)c1ccccc1)C1COC1 ZINC000451286208 202394134 /nfs/dbraw/zinc/39/41/34/202394134.db2.gz CNFLQLQETPSPAW-UHFFFAOYSA-N 0 1 247.338 2.370 20 0 BEADMN CCN(CCCC(=O)c1ccccc1)C1COC1 ZINC000451286208 202394137 /nfs/dbraw/zinc/39/41/37/202394137.db2.gz CNFLQLQETPSPAW-UHFFFAOYSA-N 0 1 247.338 2.370 20 0 BEADMN F[C@@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000578737138 366634206 /nfs/dbraw/zinc/63/42/06/366634206.db2.gz GRCFFPVPTRYGCI-HTQZYQBOSA-N 0 1 235.266 2.046 20 0 BEADMN CC(C)(C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000088759156 359976841 /nfs/dbraw/zinc/97/68/41/359976841.db2.gz TZWDGJILEQDMJJ-UHFFFAOYSA-N 0 1 243.310 2.004 20 0 BEADMN COC[C@H](NCc1nc(C)sc1C)C1CC1 ZINC000090888560 360093959 /nfs/dbraw/zinc/09/39/59/360093959.db2.gz NSILPDDSEQPFBH-LBPRGKRZSA-N 0 1 240.372 2.275 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090969277 360095133 /nfs/dbraw/zinc/09/51/33/360095133.db2.gz NKVXAAOMQCAINR-QWRGUYRKSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cnc(C)cn1 ZINC000091097096 360101166 /nfs/dbraw/zinc/10/11/66/360101166.db2.gz OXVRYSIWENOFQY-LBPRGKRZSA-N 0 1 239.388 2.358 20 0 BEADMN Cc1cc(F)cc(NC(=O)c2ncccc2O)c1 ZINC000091516330 360119791 /nfs/dbraw/zinc/11/97/91/360119791.db2.gz JNBMKXICNFGTCN-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN COCc1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000091917468 360136149 /nfs/dbraw/zinc/13/61/49/360136149.db2.gz XNEDCDXDVZMJOR-UHFFFAOYSA-N 0 1 249.354 2.444 20 0 BEADMN Cc1cc(CNC[C@@H]2COc3ccccc32)no1 ZINC000092300468 360162152 /nfs/dbraw/zinc/16/21/52/360162152.db2.gz UZVCFUYGFMMOHP-LLVKDONJSA-N 0 1 244.294 2.249 20 0 BEADMN CCCC1CCC(NCc2ncn(C)n2)CC1 ZINC000092852282 360204398 /nfs/dbraw/zinc/20/43/98/360204398.db2.gz MTGOUNJJLJIODT-UHFFFAOYSA-N 0 1 236.363 2.264 20 0 BEADMN c1cnn([C@H]2CCCN(Cc3ccco3)C2)c1 ZINC000092966977 360207616 /nfs/dbraw/zinc/20/76/16/360207616.db2.gz DFRHDMSERBIAEF-LBPRGKRZSA-N 0 1 231.299 2.313 20 0 BEADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc[nH]n1 ZINC000093324936 360231221 /nfs/dbraw/zinc/23/12/21/360231221.db2.gz DYTAWUUOHWILTP-NSHDSACASA-N 0 1 245.326 2.178 20 0 BEADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc[nH]n1 ZINC000093324937 360231427 /nfs/dbraw/zinc/23/14/27/360231427.db2.gz DYTAWUUOHWILTP-LLVKDONJSA-N 0 1 245.326 2.178 20 0 BEADMN Cc1[nH]ncc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000093336701 360233160 /nfs/dbraw/zinc/23/31/60/360233160.db2.gz SPBVVBJHRIUIRV-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093605258 360262728 /nfs/dbraw/zinc/26/27/28/360262728.db2.gz RZMLVDZBTLZJFS-NEPJUHHUSA-N 0 1 237.347 2.045 20 0 BEADMN c1ncc(CN2CCOC3(C2)CCCCCC3)[nH]1 ZINC000093769209 360274733 /nfs/dbraw/zinc/27/47/33/360274733.db2.gz IJUKBBMNEDGBQB-UHFFFAOYSA-N 0 1 249.358 2.335 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000097903990 360382250 /nfs/dbraw/zinc/38/22/50/360382250.db2.gz LQAZSJWDALGDNP-NSHDSACASA-N 0 1 243.253 2.260 20 0 BEADMN COc1c(C)cc(CN2CCN(C)CC2)cc1C ZINC000098161811 360389347 /nfs/dbraw/zinc/38/93/47/360389347.db2.gz OVAMFGRROUFAIK-UHFFFAOYSA-N 0 1 248.370 2.059 20 0 BEADMN Cc1cc(NC(=O)c2ccc(F)cc2O)ccn1 ZINC000123267109 360399213 /nfs/dbraw/zinc/39/92/13/360399213.db2.gz OJCMIDXSEPLPPM-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN C/C(=C/C[N@@H+]1C[C@H](C)CC1(C)C)C(=O)[O-] ZINC000306553159 360426872 /nfs/dbraw/zinc/42/68/72/360426872.db2.gz KTXXLSNYBKZZFS-JRZFIGEHSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC12CC2 ZINC000633780775 360496463 /nfs/dbraw/zinc/49/64/63/360496463.db2.gz VAYPRJCSUNPBOI-ZYHUDNBSSA-N 0 1 247.342 2.037 20 0 BEADMN CC[C@@H](CCc1ccccc1)NC(=O)CN(C)C ZINC000628607991 360573112 /nfs/dbraw/zinc/57/31/12/360573112.db2.gz IONFFIXEVAWWFS-AWEZNQCLSA-N 0 1 248.370 2.076 20 0 BEADMN CCC(F)(F)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000628844044 360696196 /nfs/dbraw/zinc/69/61/96/360696196.db2.gz WOTATLJRPYLNED-UWVGGRQHSA-N 0 1 248.317 2.021 20 0 BEADMN CC(C)(C)OC(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000152650849 360751053 /nfs/dbraw/zinc/75/10/53/360751053.db2.gz UBXPWPKCFOEIMK-QWRGUYRKSA-N 0 1 225.332 2.060 20 0 BEADMN C/C=C/CNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000629035585 360800826 /nfs/dbraw/zinc/80/08/26/360800826.db2.gz BHFDPJOQHFONLU-YVZNUBBCSA-N 0 1 246.354 2.372 20 0 BEADMN Cc1ccc(C[N@H+](C)CC2(O)CCCC2)cn1 ZINC000153921991 360780408 /nfs/dbraw/zinc/78/04/08/360780408.db2.gz QINSAYWEMNHKRO-UHFFFAOYSA-N 0 1 234.343 2.127 20 0 BEADMN C[C@H]1CCCC[C@@H]1Sc1nc(N)cc(N)n1 ZINC000629096203 360877792 /nfs/dbraw/zinc/87/77/92/360877792.db2.gz MOBBUSLSSLJHSV-YUMQZZPRSA-N 0 1 238.360 2.142 20 0 BEADMN C[C@@H]1C[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000629112833 360881591 /nfs/dbraw/zinc/88/15/91/360881591.db2.gz FCKXNYANPFZNEH-SVRRBLITSA-N 0 1 209.318 2.430 20 0 BEADMN C[C@@H]1C[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000629112833 360881599 /nfs/dbraw/zinc/88/15/99/360881599.db2.gz FCKXNYANPFZNEH-SVRRBLITSA-N 0 1 209.318 2.430 20 0 BEADMN CC(C)Cc1noc(CN2CC[C@@H](C)[C@H]2C)n1 ZINC000177888880 134304013 /nfs/dbraw/zinc/30/40/13/134304013.db2.gz UZZPPNMYAMLCGR-GHMZBOCLSA-N 0 1 237.347 2.498 20 0 BEADMN COc1cncc(COc2cc(C)nc(C)c2)n1 ZINC000629357930 361002452 /nfs/dbraw/zinc/00/24/52/361002452.db2.gz ATAWECPABHUDMP-UHFFFAOYSA-N 0 1 245.282 2.076 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629364288 361007712 /nfs/dbraw/zinc/00/77/12/361007712.db2.gz MASBMPMRLZOVAM-KXUCPTDWSA-N 0 1 249.301 2.463 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360628 361008675 /nfs/dbraw/zinc/00/86/75/361008675.db2.gz VQJUWZYCSJKQKL-YPMHNXCESA-N 0 1 233.311 2.229 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629361286 361009640 /nfs/dbraw/zinc/00/96/40/361009640.db2.gz FDDXTNVFAOOCHE-PREPNJAASA-N 0 1 225.332 2.216 20 0 BEADMN C[C@@H]1C[N@H+](CC2(C(=O)[O-])CC2)C[C@H](C)C1(F)F ZINC000629363384 361012659 /nfs/dbraw/zinc/01/26/59/361012659.db2.gz CPNQETFBCJKOTE-DTORHVGOSA-N 0 1 247.285 2.074 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CC1CC=CC1 ZINC000629365758 361019898 /nfs/dbraw/zinc/01/98/98/361019898.db2.gz CWVSQGKRZFUSAH-CYBMUJFWSA-N 0 1 247.294 2.230 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCF)[C@H]2CCC[C@H]21 ZINC000629374187 361023525 /nfs/dbraw/zinc/02/35/25/361023525.db2.gz TZCXMZQADWLMFY-TUAOUCFPSA-N 0 1 243.322 2.311 20 0 BEADMN COc1cccc2c1C[N@@H+](CCCCC(=O)[O-])C2 ZINC000629373917 361023613 /nfs/dbraw/zinc/02/36/13/361023613.db2.gz PTSHZQWUJPHFFG-UHFFFAOYSA-N 0 1 249.310 2.266 20 0 BEADMN C/C=C/C[C@@H]1CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000629375579 361025592 /nfs/dbraw/zinc/02/55/92/361025592.db2.gz JJZGWUUDQGQKDH-YIZUVKHSSA-N 0 1 211.305 2.138 20 0 BEADMN COC(=O)c1ccoc1CN(C)CC(C)C ZINC000065961806 361083869 /nfs/dbraw/zinc/08/38/69/361083869.db2.gz YTNIPSGEHSZJRQ-UHFFFAOYSA-N 0 1 225.288 2.154 20 0 BEADMN C[C@@H](CN(C)Cc1nccc(N)n1)C(C)(C)C ZINC000640347464 361064868 /nfs/dbraw/zinc/06/48/68/361064868.db2.gz HCXUMUIUVAAYSG-JTQLQIEISA-N 0 1 236.363 2.003 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000065962617 361084913 /nfs/dbraw/zinc/08/49/13/361084913.db2.gz PSMMLIDYHQYVHJ-ZDUSSCGKSA-N 0 1 248.370 2.279 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@H](C)C2)n1 ZINC000424172505 200874835 /nfs/dbraw/zinc/87/48/35/200874835.db2.gz OEWDZMRKCBNTGB-WDEREUQCSA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000629484430 361090682 /nfs/dbraw/zinc/09/06/82/361090682.db2.gz KTJVFOPACCRSGR-JTQLQIEISA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000629485701 361092988 /nfs/dbraw/zinc/09/29/88/361092988.db2.gz WSUACQZZCKDOCW-OUAUKWLOSA-N 0 1 213.321 2.216 20 0 BEADMN COc1ccnc(CN[C@@H](C)[C@@H]2CC2(C)C)n1 ZINC000424194775 200885199 /nfs/dbraw/zinc/88/51/99/200885199.db2.gz WXNJQPZKNPBCOM-UWVGGRQHSA-N 0 1 235.331 2.009 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000424306116 200904192 /nfs/dbraw/zinc/90/41/92/200904192.db2.gz GSHKLHYPYHCYBB-NWDGAFQWSA-N 0 1 247.342 2.154 20 0 BEADMN CC(C)n1ncnc1CNC1(C)CC=CC1 ZINC000631168156 361140402 /nfs/dbraw/zinc/14/04/02/361140402.db2.gz AFZFGUUSZSQKTE-UHFFFAOYSA-N 0 1 220.320 2.057 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1CC2(CC2)C1 ZINC000640379732 361188995 /nfs/dbraw/zinc/18/89/95/361188995.db2.gz QGRYVNCSBGJMGG-UHFFFAOYSA-N 0 1 242.282 2.087 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640380610 361189811 /nfs/dbraw/zinc/18/98/11/361189811.db2.gz UZJBEJGIORDIEX-BDAKNGLRSA-N 0 1 244.298 2.189 20 0 BEADMN Cc1nc([C@H](C)NCC2(O)CCC2)cs1 ZINC000158857329 361212994 /nfs/dbraw/zinc/21/29/94/361212994.db2.gz NTUFRZBWZGXLEF-QMMMGPOBSA-N 0 1 226.345 2.017 20 0 BEADMN CC[C@@H](O)CCN[C@@H](C)c1csc(C)n1 ZINC000158868266 361213466 /nfs/dbraw/zinc/21/34/66/361213466.db2.gz HJNXZYVNJJPOEP-WCBMZHEXSA-N 0 1 228.361 2.263 20 0 BEADMN O[C@@]12C[C@@H]1CN(Cc1cccc(C(F)F)c1)C2 ZINC000640487484 361279419 /nfs/dbraw/zinc/27/94/19/361279419.db2.gz RAPIIKDPBHPSNY-DGCLKSJQSA-N 0 1 239.265 2.191 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000249138797 361284380 /nfs/dbraw/zinc/28/43/80/361284380.db2.gz XKCMBQURZZUBCV-QWHCGFSZSA-N 0 1 239.359 2.474 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)C[C@H]1CC ZINC000575033567 361301327 /nfs/dbraw/zinc/30/13/27/361301327.db2.gz UMQGZQWTYLASOZ-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(Cc1n[nH]c(C(C)C)n1)C1CC1 ZINC000428248575 201003675 /nfs/dbraw/zinc/00/36/75/201003675.db2.gz SLXXKQPDZQIAOW-UHFFFAOYSA-N 0 1 222.336 2.303 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1n[nH]c(C)n1 ZINC000428389754 201013317 /nfs/dbraw/zinc/01/33/17/201013317.db2.gz RHFCSVDRHUBWBM-SECBINFHSA-N 0 1 242.392 2.077 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1cccc(C)c1 ZINC000428394965 201013938 /nfs/dbraw/zinc/01/39/38/201013938.db2.gz XZMYKTLHBMSPRG-UHFFFAOYSA-N 0 1 230.315 2.448 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000309784827 491156480 /nfs/dbraw/zinc/15/64/80/491156480.db2.gz SGJPUKOHBYMERM-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](Cc1cccc(O)c1)NCc1cocn1 ZINC000428891896 201047732 /nfs/dbraw/zinc/04/77/32/201047732.db2.gz ZHKCRNVSMISJEL-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN CCN1[C@H](C)CN(C(=O)CCC(C)C)C[C@@H]1C ZINC000640605461 361329184 /nfs/dbraw/zinc/32/91/84/361329184.db2.gz FDPKVSMTGNVGRY-BETUJISGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640605597 361329324 /nfs/dbraw/zinc/32/93/24/361329324.db2.gz IKRKGCVLEXUDAX-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CCOC1(C)CCN(Cc2cnc(C)nc2)CC1 ZINC000428744349 201038740 /nfs/dbraw/zinc/03/87/40/201038740.db2.gz MNFFEKZFHRBCDM-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCCC[C@@H]1OCCNCc1ncc[nH]1 ZINC000067692449 370694713 /nfs/dbraw/zinc/69/47/13/370694713.db2.gz FDRRETCHNKCHOW-NEPJUHHUSA-N 0 1 237.347 2.095 20 0 BEADMN C[C@H]1CCCC[C@@H]1OCCNCc1ncc[nH]1 ZINC000067692451 370694920 /nfs/dbraw/zinc/69/49/20/370694920.db2.gz FDRRETCHNKCHOW-RYUDHWBXSA-N 0 1 237.347 2.095 20 0 BEADMN CCCc1nc(C)c(CN(C)C[C@H](C)OC)o1 ZINC000428964181 201052677 /nfs/dbraw/zinc/05/26/77/201052677.db2.gz PZJUNQBAIYSZHD-JTQLQIEISA-N 0 1 240.347 2.402 20 0 BEADMN CCCc1nc(C)c(CN(C)C[C@@H](C)OC)o1 ZINC000428964182 201053530 /nfs/dbraw/zinc/05/35/30/201053530.db2.gz PZJUNQBAIYSZHD-SNVBAGLBSA-N 0 1 240.347 2.402 20 0 BEADMN Cc1ncc(CNCCC(F)(F)F)o1 ZINC000397917636 363779727 /nfs/dbraw/zinc/77/97/27/363779727.db2.gz OHVGNUQCGWMJFF-UHFFFAOYSA-N 0 1 208.183 2.025 20 0 BEADMN CN(CCC1CC1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000429225646 201081167 /nfs/dbraw/zinc/08/11/67/201081167.db2.gz HHVRHYGLUUNYSV-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429378888 201105147 /nfs/dbraw/zinc/10/51/47/201105147.db2.gz IUOSFYUVQZEDGF-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc(CCN(C(C)C)C2COC2)n1 ZINC000579348508 366765310 /nfs/dbraw/zinc/76/53/10/366765310.db2.gz OKJRALMWCJEINH-UHFFFAOYSA-N 0 1 234.343 2.042 20 0 BEADMN Cc1ccoc1CN(C)Cc1n[nH]c(C2CC2)n1 ZINC000429368915 201104165 /nfs/dbraw/zinc/10/41/65/201104165.db2.gz XGFNNKBOOXOHMZ-UHFFFAOYSA-N 0 1 246.314 2.216 20 0 BEADMN CC[C@@H](C)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000181140947 366789161 /nfs/dbraw/zinc/78/91/61/366789161.db2.gz NIPHEKGSFRTZHR-NXEZZACHSA-N 0 1 238.297 2.353 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CC[C@@H](C)C2)o1 ZINC000429585853 201120537 /nfs/dbraw/zinc/12/05/37/201120537.db2.gz UNZJTTXOKZDGAI-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN Cc1cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)no1 ZINC000429672303 201123615 /nfs/dbraw/zinc/12/36/15/201123615.db2.gz QTWHMXHQOIVZSS-VIFPVBQESA-N 0 1 249.318 2.075 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1ccc(Cl)o1 ZINC000579456138 366810176 /nfs/dbraw/zinc/81/01/76/366810176.db2.gz AOCLOSTUFBXFGE-JTQLQIEISA-N 0 1 242.750 2.459 20 0 BEADMN CCCN(CC(N)=O)C/C(C)=C/c1ccccc1 ZINC000430118095 201145728 /nfs/dbraw/zinc/14/57/28/201145728.db2.gz CTPRGHANWSTMHD-JLHYYAGUSA-N 0 1 246.354 2.287 20 0 BEADMN CCCN(CC(N)=O)C/C(C)=C\c1ccccc1 ZINC000430118096 201144247 /nfs/dbraw/zinc/14/42/47/201144247.db2.gz CTPRGHANWSTMHD-RAXLEYEMSA-N 0 1 246.354 2.287 20 0 BEADMN NC1(c2noc([C@@H]3CCSC3)n2)CCCC1 ZINC000070004862 181336529 /nfs/dbraw/zinc/33/65/29/181336529.db2.gz CQNHSCVCSDWBLG-MRVPVSSYSA-N 0 1 239.344 2.018 20 0 BEADMN NC1(c2noc([C@H]3CCCCO3)n2)CCCC1 ZINC000050973577 181336536 /nfs/dbraw/zinc/33/65/36/181336536.db2.gz SDKMMGRPAXSDRC-SECBINFHSA-N 0 1 237.303 2.039 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(Cl)o1 ZINC000163439435 361480238 /nfs/dbraw/zinc/48/02/38/361480238.db2.gz ZJYROHLLIZMXHW-IUCAKERBSA-N 0 1 229.707 2.182 20 0 BEADMN C[C@H](Cc1nc([C@H]2CCCN2)no1)C(F)(F)F ZINC000629675564 361598585 /nfs/dbraw/zinc/59/85/85/361598585.db2.gz XWNVFSJSYHCTHX-RNFRBKRXSA-N 0 1 249.236 2.235 20 0 BEADMN C[C@@H](Cc1nc([C@@H]2CCCN2)no1)c1ccco1 ZINC000629675426 361598851 /nfs/dbraw/zinc/59/88/51/361598851.db2.gz SIQNKFDLLSIWOV-UWVGGRQHSA-N 0 1 247.298 2.433 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153720368 201248351 /nfs/dbraw/zinc/24/83/51/201248351.db2.gz GHLQJALYJIUNPF-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nnc(SCC[C@H]2CCC[N@@H+]2C)s1 ZINC000153921115 201252536 /nfs/dbraw/zinc/25/25/36/201252536.db2.gz CTLOKYWOBASMHQ-SECBINFHSA-N 0 1 243.401 2.423 20 0 BEADMN OCc1csc(-c2cc(C(F)(F)F)n[nH]2)n1 ZINC000629729796 361668231 /nfs/dbraw/zinc/66/82/31/361668231.db2.gz DIVSZAWQOPYARI-UHFFFAOYSA-N 0 1 249.217 2.044 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2cccc(N)c2)n1 ZINC000435907975 201298180 /nfs/dbraw/zinc/29/81/80/201298180.db2.gz RREXFMDUMQHMKQ-NSHDSACASA-N 0 1 246.314 2.365 20 0 BEADMN Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000435908940 201298644 /nfs/dbraw/zinc/29/86/44/201298644.db2.gz RFAZBEXFOPJMQR-UHFFFAOYSA-N 0 1 244.298 2.047 20 0 BEADMN CCCCN(CC)C(=O)CN1CCC=C(C)C1 ZINC000436268884 201317495 /nfs/dbraw/zinc/31/74/95/201317495.db2.gz ILYVJUYXBCFIGP-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN Oc1ccccc1-c1n[nH]c(SCCF)n1 ZINC000436520563 201332421 /nfs/dbraw/zinc/33/24/21/201332421.db2.gz HOSPNVPHXFPVFQ-UHFFFAOYSA-N 0 1 239.275 2.239 20 0 BEADMN NCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000237990956 181355077 /nfs/dbraw/zinc/35/50/77/181355077.db2.gz NZZFMCCLQHZKSI-UHFFFAOYSA-N 0 1 248.326 2.043 20 0 BEADMN CCc1ccc(C)nc1NC(=O)CN(CC)CC ZINC000622139861 370730570 /nfs/dbraw/zinc/73/05/70/370730570.db2.gz ZXHUQMKLZBMJBB-UHFFFAOYSA-N 0 1 249.358 2.233 20 0 BEADMN CN(C)Cc1ccc(-c2cn(C)cn2)cc1F ZINC000630488959 364182643 /nfs/dbraw/zinc/18/26/43/364182643.db2.gz XVJSZIKUZRCEOI-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000170753118 364161586 /nfs/dbraw/zinc/16/15/86/364161586.db2.gz OAHPIGBYIMVPPI-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1noc(CN(CC(C)C)C(C)C)n1 ZINC000067963766 370727422 /nfs/dbraw/zinc/72/74/22/370727422.db2.gz GZTUZYVTDGNVHG-UHFFFAOYSA-N 0 1 225.336 2.498 20 0 BEADMN CN[C@@H](C)c1cn([C@H]2CCC(C)(C)C2)nn1 ZINC000630602159 364319207 /nfs/dbraw/zinc/31/92/07/364319207.db2.gz AHSGQUHRXQNRRE-UWVGGRQHSA-N 0 1 222.336 2.310 20 0 BEADMN CN(CCO)Cc1ccc(C(F)(F)F)s1 ZINC000432738774 192954968 /nfs/dbraw/zinc/95/49/68/192954968.db2.gz MUIWDNIYYRANRQ-UHFFFAOYSA-N 0 1 239.262 2.191 20 0 BEADMN Cc1ccc(CCCn2ccnc2CN)cc1 ZINC000630583307 364284598 /nfs/dbraw/zinc/28/45/98/364284598.db2.gz DIZQCEVCRKFRSD-UHFFFAOYSA-N 0 1 229.327 2.283 20 0 BEADMN NCc1nccn1C[C@H]1CCc2ccccc2C1 ZINC000630583804 364286538 /nfs/dbraw/zinc/28/65/38/364286538.db2.gz LTAVJFIDAPANDK-LBPRGKRZSA-N 0 1 241.338 2.147 20 0 BEADMN CCc1nnc(CN2CCC[C@H]3CCC[C@@H]32)[nH]1 ZINC000181718969 366841134 /nfs/dbraw/zinc/84/11/34/366841134.db2.gz FGMNRDGZAGCJEZ-MNOVXSKESA-N 0 1 234.347 2.132 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000134735734 364413099 /nfs/dbraw/zinc/41/30/99/364413099.db2.gz UZIFCWZJFAGQGX-BDAKNGLRSA-N 0 1 229.707 2.136 20 0 BEADMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C)CC3)n2)o1 ZINC000181882321 366853047 /nfs/dbraw/zinc/85/30/47/366853047.db2.gz TXZNKFOWZSQXEH-UHFFFAOYSA-N 0 1 246.270 2.112 20 0 BEADMN COCC(COC)N[C@H](C)c1cc(C)c(C)o1 ZINC000453339151 202741610 /nfs/dbraw/zinc/74/16/10/202741610.db2.gz LUMACMQYDOVZDG-SNVBAGLBSA-N 0 1 241.331 2.208 20 0 BEADMN CN(C)C1(C(=O)NC2CC(C(C)(C)C)C2)CC1 ZINC000615351674 364707732 /nfs/dbraw/zinc/70/77/32/364707732.db2.gz MKLVZFDZYNMCNT-UHFFFAOYSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000573318531 364796491 /nfs/dbraw/zinc/79/64/91/364796491.db2.gz WUZDDULTZQRCPL-OCCSQVGLSA-N 0 1 237.318 2.328 20 0 BEADMN C[C@H](O)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000573318529 364796627 /nfs/dbraw/zinc/79/66/27/364796627.db2.gz WUZDDULTZQRCPL-GXTWGEPZSA-N 0 1 237.318 2.328 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1nc(C)c(C)o1 ZINC000573328755 364800622 /nfs/dbraw/zinc/80/06/22/364800622.db2.gz XNUIGBKYAVTSKQ-JOYOIKCWSA-N 0 1 240.347 2.178 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1nc(C)c(C)o1 ZINC000573328756 364801133 /nfs/dbraw/zinc/80/11/33/364801133.db2.gz XNUIGBKYAVTSKQ-SKDRFNHKSA-N 0 1 240.347 2.178 20 0 BEADMN CCc1nc(CNCc2ccc(C)s2)n[nH]1 ZINC000296096726 364781758 /nfs/dbraw/zinc/78/17/58/364781758.db2.gz ROUIMQHQFLQIBM-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CCc1nc(CNCc2cc(C)ccc2C)n[nH]1 ZINC000296106461 364782338 /nfs/dbraw/zinc/78/23/38/364782338.db2.gz SBMHWVPAYDBMEE-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN CCCCOCCNCc1ncc(C)s1 ZINC000296526993 364785666 /nfs/dbraw/zinc/78/56/66/364785666.db2.gz SKHDMJKNIXDMCK-UHFFFAOYSA-N 0 1 228.361 2.358 20 0 BEADMN C[N@@H+](CC1CCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000573379889 364816438 /nfs/dbraw/zinc/81/64/38/364816438.db2.gz VTCUPQLLMNKSJH-AWEZNQCLSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000141424908 541388270 /nfs/dbraw/zinc/38/82/70/541388270.db2.gz PXHODHKTEDHXHO-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN c1nnsc1CN(C1CC1)C1CCCC1 ZINC000573892254 364938516 /nfs/dbraw/zinc/93/85/16/364938516.db2.gz HYKJIHXCQKPNIU-UHFFFAOYSA-N 0 1 223.345 2.445 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000573928131 364947159 /nfs/dbraw/zinc/94/71/59/364947159.db2.gz WESKQKVAUWIHAX-ZYHUDNBSSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)[C@@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000574216611 365012632 /nfs/dbraw/zinc/01/26/32/365012632.db2.gz ARMJTIQVMNAEPX-NWDGAFQWSA-N 0 1 248.374 2.318 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@@H](C)F ZINC000574524657 365072846 /nfs/dbraw/zinc/07/28/46/365072846.db2.gz FVIOMQRGVFLZIJ-ZJUUUORDSA-N 0 1 219.300 2.166 20 0 BEADMN C[C@@H]1C[C@H](NCc2noc3ccccc32)[C@@H](C)O1 ZINC000574464441 365069598 /nfs/dbraw/zinc/06/95/98/365069598.db2.gz JHEMAIOBXOTSLF-FOGDFJRCSA-N 0 1 246.310 2.483 20 0 BEADMN CCC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574518499 365080540 /nfs/dbraw/zinc/08/05/40/365080540.db2.gz KVYWBKKWPWALAJ-OLZOCXBDSA-N 0 1 233.311 2.197 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](CCC)C1 ZINC000574645142 365111639 /nfs/dbraw/zinc/11/16/39/365111639.db2.gz SMYXMLQIUTWZQP-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCO[C@H](CCC)C1 ZINC000574645142 365111642 /nfs/dbraw/zinc/11/16/42/365111642.db2.gz SMYXMLQIUTWZQP-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H](C[N@@H+](CCCCCF)C1CC1)C(=O)[O-] ZINC000574645343 365111766 /nfs/dbraw/zinc/11/17/66/365111766.db2.gz XBZLFAKTICWCLX-JTQLQIEISA-N 0 1 231.311 2.311 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC1CC(C)C1 ZINC000622240256 370789920 /nfs/dbraw/zinc/78/99/20/370789920.db2.gz IIPBNRZGXHRCLO-WXRRBKDZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1nccs1 ZINC000443307593 193016533 /nfs/dbraw/zinc/01/65/33/193016533.db2.gz IFBIVGOJWRPPRP-GMTAPVOTSA-N 0 1 240.372 2.124 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccno1 ZINC000574871960 365163931 /nfs/dbraw/zinc/16/39/31/365163931.db2.gz KQZMEYOIBHVKCG-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1C[C@@H](C)CC(C)(C)C1 ZINC000574766314 365139974 /nfs/dbraw/zinc/13/99/74/365139974.db2.gz GKHSEGBWQFBMCE-QWRGUYRKSA-N 0 1 248.374 2.318 20 0 BEADMN CO[C@@H](C)CNCc1coc(-c2ccccc2)n1 ZINC000443000229 193009260 /nfs/dbraw/zinc/00/92/60/193009260.db2.gz MVUKXNILZDYZGZ-NSHDSACASA-N 0 1 246.310 2.466 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000080687429 370807782 /nfs/dbraw/zinc/80/77/82/370807782.db2.gz WSBLUXVJRJXWAA-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000444492913 193048499 /nfs/dbraw/zinc/04/84/99/193048499.db2.gz ZOFTWWLWFFRBPN-CHWSQXEVSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)CC2(CCC2)O1 ZINC000575744887 365349802 /nfs/dbraw/zinc/34/98/02/365349802.db2.gz FYYHIRLRWXUCRC-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN Fc1ccc([C@@H](NCC2CC2)c2cn[nH]n2)cc1 ZINC000575877533 365401605 /nfs/dbraw/zinc/40/16/05/365401605.db2.gz XRPJVPYOZIHOPB-CYBMUJFWSA-N 0 1 246.289 2.033 20 0 BEADMN CN(C)C1(C(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000615399868 365401923 /nfs/dbraw/zinc/40/19/23/365401923.db2.gz KXICABCPHUMQBQ-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CN(C)C1(C(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000615399872 365402241 /nfs/dbraw/zinc/40/22/41/365402241.db2.gz KXICABCPHUMQBQ-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CSCCCN1CCC[C@H]1C(=O)OC(C)C ZINC000173481303 365426730 /nfs/dbraw/zinc/42/67/30/365426730.db2.gz FFVLPPWGGYRAKS-NSHDSACASA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nc(COC)no1 ZINC000182398373 366896852 /nfs/dbraw/zinc/89/68/52/366896852.db2.gz JZZXKBNEPRYOGE-SNVBAGLBSA-N 0 1 241.335 2.084 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2n[nH]c(C3CC3)n2)C1 ZINC000182427884 366901209 /nfs/dbraw/zinc/90/12/09/366901209.db2.gz ATCKISASUBRQCL-ZJUUUORDSA-N 0 1 234.347 2.303 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2nccn2C)C1 ZINC000174195009 365476802 /nfs/dbraw/zinc/47/68/02/365476802.db2.gz ZABIOKIGGGCMKE-ZDUSSCGKSA-N 0 1 221.348 2.432 20 0 BEADMN C[C@H](CO)CSc1nc(-c2ccccc2)n[nH]1 ZINC000154695874 541472582 /nfs/dbraw/zinc/47/25/82/541472582.db2.gz YGTDIYPBTYXBPI-SECBINFHSA-N 0 1 249.339 2.192 20 0 BEADMN c1nc(CN[C@@H](C2CC2)[C@H]2CCCCO2)co1 ZINC000655810545 541482328 /nfs/dbraw/zinc/48/23/28/541482328.db2.gz FSFFQMNPCOBFOA-OLZOCXBDSA-N 0 1 236.315 2.112 20 0 BEADMN c1nc(CN[C@H](C2CC2)[C@@H]2CCCCO2)co1 ZINC000655810546 541482500 /nfs/dbraw/zinc/48/25/00/541482500.db2.gz FSFFQMNPCOBFOA-QWHCGFSZSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ncc[nH]1 ZINC000353634164 541484325 /nfs/dbraw/zinc/48/43/25/541484325.db2.gz UROHPQWJYYQBIM-JQWIXIFHSA-N 0 1 243.310 2.064 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN(C)CC(=O)OC)C1 ZINC000182994724 366964885 /nfs/dbraw/zinc/96/48/85/366964885.db2.gz FAFMVFRLKGMTIP-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN CCCC[C@@H](COC)N[C@@H](C)c1nccn1C ZINC000182995036 366965110 /nfs/dbraw/zinc/96/51/10/366965110.db2.gz ROHAGGGRPXMLDU-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN C[C@H]1CCCC[C@H]1OCCNCc1cnccn1 ZINC000579683223 366975211 /nfs/dbraw/zinc/97/52/11/366975211.db2.gz UNKYISDWDWRTNY-GXTWGEPZSA-N 0 1 249.358 2.162 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000183085110 366975692 /nfs/dbraw/zinc/97/56/92/366975692.db2.gz XRRYRWZWILODSO-VXGBXAGGSA-N 0 1 236.363 2.453 20 0 BEADMN Cc1ncccc1CNC1(CF)CCC1 ZINC000579712327 366988158 /nfs/dbraw/zinc/98/81/58/366988158.db2.gz SCZDRGKFKMHMOP-UHFFFAOYSA-N 0 1 208.280 2.372 20 0 BEADMN CO[C@@H](CN[C@H](C)c1nccn1C)C(C)(C)C ZINC000183057217 366971288 /nfs/dbraw/zinc/97/12/88/366971288.db2.gz XTWNZZYGHGGXPP-MNOVXSKESA-N 0 1 239.363 2.132 20 0 BEADMN CSCC[C@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000579763521 367002591 /nfs/dbraw/zinc/00/25/91/367002591.db2.gz BMHHRGDPNNBVHY-JTQLQIEISA-N 0 1 240.372 2.361 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000579763521 367002595 /nfs/dbraw/zinc/00/25/95/367002595.db2.gz BMHHRGDPNNBVHY-JTQLQIEISA-N 0 1 240.372 2.361 20 0 BEADMN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc2nc[nH]c21 ZINC000579907336 367071398 /nfs/dbraw/zinc/07/13/98/367071398.db2.gz LDGSCEUVYAGEIV-BZBKMWRSSA-N 0 1 241.294 2.091 20 0 BEADMN Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000185119823 367119978 /nfs/dbraw/zinc/11/99/78/367119978.db2.gz UQGFUBPHJPPTAJ-LRDDRELGSA-N 0 1 239.384 2.194 20 0 BEADMN CCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000579970059 367108792 /nfs/dbraw/zinc/10/87/92/367108792.db2.gz YBPCQXTZGHUJSC-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CC)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000622300181 370829896 /nfs/dbraw/zinc/82/98/96/370829896.db2.gz BWUIAVBHWILQPD-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN CN(C)CC(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000193550731 367191224 /nfs/dbraw/zinc/19/12/24/367191224.db2.gz IJWFUAJBLJGWEF-UHFFFAOYSA-N 0 1 248.370 2.162 20 0 BEADMN Cc1cnc([C@H](C)N2[C@H](C)C[C@@H]2C)cn1 ZINC000581048423 367243840 /nfs/dbraw/zinc/24/38/40/367243840.db2.gz HIFGPGSNNBFJAX-AXFHLTTASA-N 0 1 205.305 2.329 20 0 BEADMN C[N@@H+](CCCCCF)C1(C(=O)[O-])CCCC1 ZINC000380983834 367330785 /nfs/dbraw/zinc/33/07/85/367330785.db2.gz JCEFPTAXSSIRBC-UHFFFAOYSA-N 0 1 231.311 2.455 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]([C@H](C)O)C2)s1 ZINC000581182311 367285938 /nfs/dbraw/zinc/28/59/38/367285938.db2.gz HYPVEOYXHSCCLQ-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)C[C@@H]1CC=CCC1 ZINC000581201529 367293407 /nfs/dbraw/zinc/29/34/07/367293407.db2.gz NCXTZQREDGKJRK-VXGBXAGGSA-N 0 1 246.358 2.238 20 0 BEADMN CCCc1csc(CN[C@@H]2CCC[C@H]2O)n1 ZINC000381426115 367399988 /nfs/dbraw/zinc/39/99/88/367399988.db2.gz YUNNXQBZAOKOBS-GHMZBOCLSA-N 0 1 240.372 2.099 20 0 BEADMN CCn1ccnc1CNC[C@H](C)C(F)(F)F ZINC000381451876 367407947 /nfs/dbraw/zinc/40/79/47/367407947.db2.gz HRQHIJUXDHWEKT-QMMMGPOBSA-N 0 1 235.253 2.191 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCC1(F)F)C(=O)[O-] ZINC000381548159 367428692 /nfs/dbraw/zinc/42/86/92/367428692.db2.gz FMSSNORFJUWFMI-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC[C@H](C)CC(=O)NCc1cn[nH]c1C ZINC000195448910 367361456 /nfs/dbraw/zinc/36/14/56/367361456.db2.gz ZRXAWPGUKMLPCC-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000382027453 367480142 /nfs/dbraw/zinc/48/01/42/367480142.db2.gz SKRIIWYHAQSXFD-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000382027448 367480402 /nfs/dbraw/zinc/48/04/02/367480402.db2.gz SKRIIWYHAQSXFD-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)C(=O)N(C)C)cs1 ZINC000381599013 367435837 /nfs/dbraw/zinc/43/58/37/367435837.db2.gz MVLXCHTYOOTROA-VHSXEESVSA-N 0 1 240.372 2.184 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000381740559 367452557 /nfs/dbraw/zinc/45/25/57/367452557.db2.gz OVXXZTHDTFCZEZ-WCFLWFBJSA-N 0 1 220.316 2.218 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCC=C(C)C1 ZINC000382492959 367530383 /nfs/dbraw/zinc/53/03/83/367530383.db2.gz GREYFZFTQBQYTC-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN CC1=CC[N@@H+](Cc2ccoc2C(=O)[O-])CC1 ZINC000382528376 367533477 /nfs/dbraw/zinc/53/34/77/367533477.db2.gz IRWDWLOSCXAUSO-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN CC(C)n1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)O)n1 ZINC000382789710 367557624 /nfs/dbraw/zinc/55/76/24/367557624.db2.gz GUBPRDFGPQICEN-NSHDSACASA-N 0 1 239.363 2.055 20 0 BEADMN CC(C)n1ccc(CN(C)[C@@H](C)C(C)(C)O)n1 ZINC000382789710 367557626 /nfs/dbraw/zinc/55/76/26/367557626.db2.gz GUBPRDFGPQICEN-NSHDSACASA-N 0 1 239.363 2.055 20 0 BEADMN CC1(C[N@@H+](CC(=O)[O-])C2CCC2)CCC1 ZINC000581619238 367639112 /nfs/dbraw/zinc/63/91/12/367639112.db2.gz GDFJFZBCBUFOBX-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CCC1)C1CCC1 ZINC000581619360 367639215 /nfs/dbraw/zinc/63/92/15/367639215.db2.gz OHIKZRKXTQRKKY-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN CC/C=C\CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000384732525 367723219 /nfs/dbraw/zinc/72/32/19/367723219.db2.gz JZVURHUUMFDPJL-WQMVXFAESA-N 0 1 205.305 2.445 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cscn1 ZINC000384734120 367724053 /nfs/dbraw/zinc/72/40/53/367724053.db2.gz KGVMTMFTKGBVOK-KYXWUPHJSA-N 0 1 226.345 2.360 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1Nc1ncnc2[nH]cnc21 ZINC000385208737 367809258 /nfs/dbraw/zinc/80/92/58/367809258.db2.gz PFYWZJMBMJGGJS-RKDXNWHRSA-N 0 1 231.303 2.199 20 0 BEADMN CC/C=C\CNCc1cc(OC)ns1 ZINC000399179212 367851875 /nfs/dbraw/zinc/85/18/75/367851875.db2.gz QQYFCAMACIGROA-PLNGDYQASA-N 0 1 212.318 2.208 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc(N2CCCC2)nc1 ZINC000581762815 367817662 /nfs/dbraw/zinc/81/76/62/367817662.db2.gz HXJHUAQQCISPRF-CYBMUJFWSA-N 0 1 246.358 2.061 20 0 BEADMN COc1cc(CNCc2ccnc(C)c2)sn1 ZINC000399239219 367911525 /nfs/dbraw/zinc/91/15/25/367911525.db2.gz BZDGQYKYDHAVLV-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN Cc1nccc(NCCC(C)(C)CO)c1Cl ZINC000386284421 367946175 /nfs/dbraw/zinc/94/61/75/367946175.db2.gz ONTATVZZCBPHSO-UHFFFAOYSA-N 0 1 242.750 2.286 20 0 BEADMN CCc1ccc(F)cc1C(=O)Nc1nnc(C)[nH]1 ZINC000630924190 367961481 /nfs/dbraw/zinc/96/14/81/367961481.db2.gz NTCMFISKHMPJRI-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1ccc(F)cc1C(=O)Nc1nc(C)n[nH]1 ZINC000630924190 367961483 /nfs/dbraw/zinc/96/14/83/367961483.db2.gz NTCMFISKHMPJRI-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000386837037 368025906 /nfs/dbraw/zinc/02/59/06/368025906.db2.gz AEHJYQSZWPWYIN-DTWKUNHWSA-N 0 1 242.388 2.300 20 0 BEADMN COC(=O)c1occc1CN[C@H]1CC12CCCC2 ZINC000386843605 368027720 /nfs/dbraw/zinc/02/77/20/368027720.db2.gz BLVNISQYSRUCSG-NSHDSACASA-N 0 1 249.310 2.489 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2C)CCN1 ZINC000582001460 368118571 /nfs/dbraw/zinc/11/85/71/368118571.db2.gz SEMUMFZKWUKFHS-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC[N@@H+](CCSC1CCCCC1)CC(=O)[O-] ZINC000566363576 326037504 /nfs/dbraw/zinc/03/75/04/326037504.db2.gz PBDHHNHKIWHADM-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN CCN(CC(=O)Nc1ccccc1OC)C1CC1 ZINC000029911947 368244588 /nfs/dbraw/zinc/24/45/88/368244588.db2.gz XYGGTAFTAWKXSM-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN C=C[C@@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399583140 368277105 /nfs/dbraw/zinc/27/71/05/368277105.db2.gz NZUXWGOGYGENTM-UWVGGRQHSA-N 0 1 213.321 2.240 20 0 BEADMN c1ccc(C[N@H+]2CC3CCC2CC3)nc1 ZINC000223823027 368365071 /nfs/dbraw/zinc/36/50/71/368365071.db2.gz MINBMERBNGLCCB-UHFFFAOYSA-N 0 1 202.301 2.456 20 0 BEADMN CC(C)CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043084705 368386834 /nfs/dbraw/zinc/38/68/34/368386834.db2.gz MBVFWPAUIWUWLH-STQMWFEESA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](CNC(=O)C(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000043085605 368392149 /nfs/dbraw/zinc/39/21/49/368392149.db2.gz PIKVSCDCCILNRL-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043085561 368392579 /nfs/dbraw/zinc/39/25/79/368392579.db2.gz WYRZVDWBFWGDHO-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043085557 368392612 /nfs/dbraw/zinc/39/26/12/368392612.db2.gz WYRZVDWBFWGDHO-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000058874423 368523954 /nfs/dbraw/zinc/52/39/54/368523954.db2.gz SICYOCGIZJKADN-ZDUSSCGKSA-N 0 1 246.354 2.381 20 0 BEADMN CSc1nc(Cc2cccs2)n[nH]1 ZINC000058551327 368514906 /nfs/dbraw/zinc/51/49/06/368514906.db2.gz NSOQUVBQTDQUKN-UHFFFAOYSA-N 0 1 211.315 2.179 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1cccc(F)c1 ZINC000060575165 368546965 /nfs/dbraw/zinc/54/69/65/368546965.db2.gz DNWUPAOYCHKXNP-SNVBAGLBSA-N 0 1 238.306 2.495 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000063783082 368596489 /nfs/dbraw/zinc/59/64/89/368596489.db2.gz ZHQDGXGICDTLIP-SECBINFHSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)CN(C)CC(=O)N1CCc2ccccc21 ZINC000065962499 368637877 /nfs/dbraw/zinc/63/78/77/368637877.db2.gz NZCLPOFZOIENQV-UHFFFAOYSA-N 0 1 246.354 2.164 20 0 BEADMN CC(C)CN(C)Cc1nnc(-c2ccco2)o1 ZINC000065962596 368638657 /nfs/dbraw/zinc/63/86/57/368638657.db2.gz CRMLCRJKYNCJCF-UHFFFAOYSA-N 0 1 235.287 2.417 20 0 BEADMN CCN(CC)[C@H](C(=O)N1CCC1)c1ccccc1 ZINC000067245888 368682950 /nfs/dbraw/zinc/68/29/50/368682950.db2.gz DXLKKWIGBNNZLW-AWEZNQCLSA-N 0 1 246.354 2.302 20 0 BEADMN COc1nccnc1CN(C)[C@H](C)C(C)(C)C ZINC000567188659 326132289 /nfs/dbraw/zinc/13/22/89/326132289.db2.gz WZMZZSHUWFZBRK-SNVBAGLBSA-N 0 1 237.347 2.352 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000457281833 203032883 /nfs/dbraw/zinc/03/28/83/203032883.db2.gz MXMFSWRKFJXIOH-OUCADQQQSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000457281833 203032887 /nfs/dbraw/zinc/03/28/87/203032887.db2.gz MXMFSWRKFJXIOH-OUCADQQQSA-N 0 1 238.375 2.022 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457290608 203033950 /nfs/dbraw/zinc/03/39/50/203033950.db2.gz JKMGUQPVGOTAQV-LURJTMIESA-N 0 1 245.225 2.034 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000070944160 368769173 /nfs/dbraw/zinc/76/91/73/368769173.db2.gz ZIOSURDRKJDQGB-UHFFFAOYSA-N 0 1 242.269 2.244 20 0 BEADMN CCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071039701 368769670 /nfs/dbraw/zinc/76/96/70/368769670.db2.gz SWCNWTHJZMBNPT-UHFFFAOYSA-N 0 1 230.271 2.006 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CC(C)(C)O1 ZINC000083679568 368803339 /nfs/dbraw/zinc/80/33/39/368803339.db2.gz BOUYQCBXPIDLTP-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN COCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000074348404 368840459 /nfs/dbraw/zinc/84/04/59/368840459.db2.gz PCGDBNWRVALGAA-OAHLLOKOSA-N 0 1 249.354 2.487 20 0 BEADMN CC1(C)CCN(CC(=O)NC2CCCCC2)C1 ZINC000072827684 368781322 /nfs/dbraw/zinc/78/13/22/368781322.db2.gz DXQWKZLCAPJBKG-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612106 368867042 /nfs/dbraw/zinc/86/70/42/368867042.db2.gz APHGSARMXOPZMR-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CCCCC1 ZINC000086258816 368876448 /nfs/dbraw/zinc/87/64/48/368876448.db2.gz OFRAYJNWKYUFHO-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783595 368885192 /nfs/dbraw/zinc/88/51/92/368885192.db2.gz NWRGQCGYYDVVLO-BXUZGUMPSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790152 368885420 /nfs/dbraw/zinc/88/54/20/368885420.db2.gz DPYFVBVVDAJXMI-NSHDSACASA-N 0 1 237.274 2.041 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000088255951 368908438 /nfs/dbraw/zinc/90/84/38/368908438.db2.gz OZAVFPOGMQXDSM-UHFFFAOYSA-N 0 1 245.322 2.300 20 0 BEADMN Cc1cnc(CN[C@@H](CO)CCC(C)C)s1 ZINC000623646308 368967444 /nfs/dbraw/zinc/96/74/44/368967444.db2.gz BPFGAYHCMAZMGQ-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@](N)(C(=O)N[C@H]1CC=CCC1)c1ccccc1 ZINC000088748402 368925775 /nfs/dbraw/zinc/92/57/75/368925775.db2.gz NFYCNGHXFIRTKO-DZGCQCFKSA-N 0 1 244.338 2.085 20 0 BEADMN CCC(CC)CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155406438 326195282 /nfs/dbraw/zinc/19/52/82/326195282.db2.gz HCAAEYDRNJBVFH-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1O ZINC000458256412 203149495 /nfs/dbraw/zinc/14/94/95/203149495.db2.gz LDBOYVDKCFKBOT-JFUSQASVSA-N 0 1 249.285 2.450 20 0 BEADMN CCN(CC(=O)N[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC000458117334 203136189 /nfs/dbraw/zinc/13/61/89/203136189.db2.gz JGDGOQKUEISQND-OCCSQVGLSA-N 0 1 238.375 2.022 20 0 BEADMN CCC1(CC)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000618668933 369194202 /nfs/dbraw/zinc/19/42/02/369194202.db2.gz RLQHHRNODVGRPI-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN CC(C)N(CC(N)=O)Cc1ccc(C2CC2)cc1 ZINC000459297865 203249586 /nfs/dbraw/zinc/24/95/86/203249586.db2.gz SNWMQUAQSAAMKO-UHFFFAOYSA-N 0 1 246.354 2.260 20 0 BEADMN C(CN1CCSCC1)OCC1CCCC1 ZINC000459304973 203252008 /nfs/dbraw/zinc/25/20/08/203252008.db2.gz PPOIJTULIPVRDH-UHFFFAOYSA-N 0 1 229.389 2.242 20 0 BEADMN COCc1cc(CN2CCC[C@@H](C)[C@H]2C)no1 ZINC000459329447 203257372 /nfs/dbraw/zinc/25/73/72/203257372.db2.gz ROOOFDQQDORAEA-GHMZBOCLSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN2C[C@@H](C)CC[C@@H]2C)no1 ZINC000459339337 203260906 /nfs/dbraw/zinc/26/09/06/203260906.db2.gz HUWPZNALYGIRNH-QWRGUYRKSA-N 0 1 238.331 2.441 20 0 BEADMN Cc1cc(CNCCC[C@H]2CCCCO2)no1 ZINC000459486871 203289243 /nfs/dbraw/zinc/28/92/43/203289243.db2.gz XHNFJRZCCKCKQM-CYBMUJFWSA-N 0 1 238.331 2.422 20 0 BEADMN Cc1cc(CNCCC[C@@H]2CCCCO2)no1 ZINC000459486872 203289260 /nfs/dbraw/zinc/28/92/60/203289260.db2.gz XHNFJRZCCKCKQM-ZDUSSCGKSA-N 0 1 238.331 2.422 20 0 BEADMN COCc1cc(CN2CC[C@@H]3CCC[C@H]32)no1 ZINC000459485666 203290476 /nfs/dbraw/zinc/29/04/76/203290476.db2.gz DVLIMQBWFXIEEB-GXFFZTMASA-N 0 1 236.315 2.195 20 0 BEADMN CCOC[C@@H]1CCC[C@@H]1NCC(F)F ZINC000459546615 203292750 /nfs/dbraw/zinc/29/27/50/203292750.db2.gz MWVVGVKWGIHQAX-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CC(C)(C)n1ncnc1CNC1CC2(CCC2)C1 ZINC000459527698 203294793 /nfs/dbraw/zinc/29/47/93/203294793.db2.gz KFOOBMLMGAKHQX-UHFFFAOYSA-N 0 1 248.374 2.455 20 0 BEADMN CC(=O)NC1CN(CC2CCC(C)(C)CC2)C1 ZINC000459553646 203295126 /nfs/dbraw/zinc/29/51/26/203295126.db2.gz GWIWBQWVHMMHMB-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCn1nncc1CN1CCC(C)(C2CC2)CC1 ZINC000459519566 203295350 /nfs/dbraw/zinc/29/53/50/203295350.db2.gz GJXHWGHCNCTAEK-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1nncc1CN[C@H](C)c1cccc(C)c1 ZINC000459525134 203296435 /nfs/dbraw/zinc/29/64/35/203296435.db2.gz XINQUZFXJPTYKM-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000619428458 369345972 /nfs/dbraw/zinc/34/59/72/369345972.db2.gz QNLXLGRSSVMUDH-GHMZBOCLSA-N 0 1 245.338 2.256 20 0 BEADMN CCOC1CN(C[C@@H](C)CC2CCOCC2)C1 ZINC000459603759 203314401 /nfs/dbraw/zinc/31/44/01/203314401.db2.gz IJZLPRWLAMPURQ-LBPRGKRZSA-N 0 1 241.375 2.160 20 0 BEADMN COCCN(C)Cc1nc2ccccc2nc1C ZINC000056294114 369355629 /nfs/dbraw/zinc/35/56/29/369355629.db2.gz DYIHTQSKTHEOTM-UHFFFAOYSA-N 0 1 245.326 2.016 20 0 BEADMN C[C@H](NCC(F)F)C1CCSCC1 ZINC000459552429 203298046 /nfs/dbraw/zinc/29/80/46/203298046.db2.gz ZJFFFDMXVMRRGF-ZETCQYMHSA-N 0 1 209.305 2.373 20 0 BEADMN C[C@@H](NCC(F)F)C1CCSCC1 ZINC000459552428 203299191 /nfs/dbraw/zinc/29/91/91/203299191.db2.gz ZJFFFDMXVMRRGF-SSDOTTSWSA-N 0 1 209.305 2.373 20 0 BEADMN COCC1(CNCc2cc(C)on2)CCCC1 ZINC000459558915 203300257 /nfs/dbraw/zinc/30/02/57/203300257.db2.gz HFKFNRQMMPTSPU-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN COc1cc(C)ccc1CN1CC(C(C)(C)O)C1 ZINC000459610076 203316274 /nfs/dbraw/zinc/31/62/74/203316274.db2.gz MDYYVDBOGJXDLD-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN CC(C)(O)C1CN(C/C=C\c2ccccc2)C1 ZINC000459615360 203316644 /nfs/dbraw/zinc/31/66/44/203316644.db2.gz WFNMKOUSGKXTGA-TWGQIWQCSA-N 0 1 231.339 2.403 20 0 BEADMN Cc1noc(C2CN(CCCC(C)C)C2)n1 ZINC000459617406 203316846 /nfs/dbraw/zinc/31/68/46/203316846.db2.gz ZLQPVOOIGQZJBS-UHFFFAOYSA-N 0 1 223.320 2.213 20 0 BEADMN COCC1(C)CN(Cc2ccc(OC)c(C)c2)C1 ZINC000459622371 203318240 /nfs/dbraw/zinc/31/82/40/203318240.db2.gz NMUNGODBQKWWLW-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN COCC1(C)CN(Cc2cc(C)c(O)c(C)c2)C1 ZINC000459624758 203321740 /nfs/dbraw/zinc/32/17/40/203321740.db2.gz UMXMLZCLSAERLE-UHFFFAOYSA-N 0 1 249.354 2.477 20 0 BEADMN COC(=O)[C@H](C)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000405034039 369442555 /nfs/dbraw/zinc/44/25/55/369442555.db2.gz QFJHRXTWTWSRSB-RYUDHWBXSA-N 0 1 247.338 2.210 20 0 BEADMN COC(=O)[C@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC000405034039 369442560 /nfs/dbraw/zinc/44/25/60/369442560.db2.gz QFJHRXTWTWSRSB-RYUDHWBXSA-N 0 1 247.338 2.210 20 0 BEADMN CC[C@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000459672858 203333240 /nfs/dbraw/zinc/33/32/40/203333240.db2.gz GXGGWCURAVTXKU-NSHDSACASA-N 0 1 239.746 2.469 20 0 BEADMN FC(F)C1CCC(NCc2csnn2)CC1 ZINC000459710888 203340144 /nfs/dbraw/zinc/34/01/44/203340144.db2.gz LRCZMNCUVDGNDU-UHFFFAOYSA-N 0 1 247.314 2.452 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC000459763289 203360598 /nfs/dbraw/zinc/36/05/98/203360598.db2.gz AXERTIHKJXOAEE-LOWVWBTDSA-N 0 1 235.331 2.003 20 0 BEADMN COC[C@H](CC(C)C)N[C@H](C)c1ccn(C)n1 ZINC000459741166 203350404 /nfs/dbraw/zinc/35/04/04/203350404.db2.gz FELHUQZUEPXBET-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1cccc(CNC(=O)[C@H]2CCCCN2C)c1 ZINC000082305632 370983287 /nfs/dbraw/zinc/98/32/87/370983287.db2.gz JACJOQRJHSXRQH-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1ccn(C)n1 ZINC000459784904 203368152 /nfs/dbraw/zinc/36/81/52/203368152.db2.gz JSILYVBEOAKZRA-GFCCVEGCSA-N 0 1 239.363 2.133 20 0 BEADMN O=C(NCC1=CCCC1)c1n[nH]c2ccccc21 ZINC000620000125 369655487 /nfs/dbraw/zinc/65/54/87/369655487.db2.gz JQCKRQLGFAOZGL-UHFFFAOYSA-N 0 1 241.294 2.403 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nnc(C2CC2)o1 ZINC000619887721 369625726 /nfs/dbraw/zinc/62/57/26/369625726.db2.gz PWRMOTDRYYRMRU-VIFPVBQESA-N 0 1 223.320 2.423 20 0 BEADMN CCc1noc(CN(CC2CC2)C(C)C)n1 ZINC000620109082 369737028 /nfs/dbraw/zinc/73/70/28/369737028.db2.gz DYJXRSSQTUTMTP-UHFFFAOYSA-N 0 1 223.320 2.252 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000568062632 326302005 /nfs/dbraw/zinc/30/20/05/326302005.db2.gz KFZJGKKUDYOZER-LLVKDONJSA-N 0 1 239.340 2.087 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000568074419 326305023 /nfs/dbraw/zinc/30/50/23/326305023.db2.gz HRCOURVDJQDZTG-PWSUYJOCSA-N 0 1 245.388 2.171 20 0 BEADMN CC(C)CC1(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000620280884 369796729 /nfs/dbraw/zinc/79/67/29/369796729.db2.gz XAJLWBFHZSXOOD-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN CCCc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)n[nH]1 ZINC000621054563 370088023 /nfs/dbraw/zinc/08/80/23/370088023.db2.gz PBBJKYPWQJFZCH-JTQLQIEISA-N 0 1 249.358 2.480 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000620902820 370051024 /nfs/dbraw/zinc/05/10/24/370051024.db2.gz CDTDZHHPUNYHPI-APPZFPTMSA-N 0 1 215.256 2.157 20 0 BEADMN CCc1cnc(CN(CC)CC2CC2)o1 ZINC000075739365 370169109 /nfs/dbraw/zinc/16/91/09/370169109.db2.gz QWNCVCSTIWYUQX-UHFFFAOYSA-N 0 1 208.305 2.469 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCCc2sccc2C1 ZINC000075718555 370169235 /nfs/dbraw/zinc/16/92/35/370169235.db2.gz CQEXAUSHZRGHHO-LLVKDONJSA-N 0 1 225.357 2.267 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000075768615 370170291 /nfs/dbraw/zinc/17/02/91/370170291.db2.gz CNQQNRMJNQVNAF-QWRGUYRKSA-N 0 1 221.304 2.143 20 0 BEADMN CN(Cc1cncc(Cl)c1)C[C@@H]1CCCO1 ZINC000621248348 370183177 /nfs/dbraw/zinc/18/31/77/370183177.db2.gz FGDABCGUASPRDW-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC2CC1(C)C2 ZINC000621215640 370160409 /nfs/dbraw/zinc/16/04/09/370160409.db2.gz MHPCJDFVFBIPFM-UHFFFAOYSA-N 0 1 247.342 2.466 20 0 BEADMN Cc1ccc(CNCCOCC2CCC2)o1 ZINC000309725515 370249395 /nfs/dbraw/zinc/24/93/95/370249395.db2.gz XQWJJVHOUQIACM-UHFFFAOYSA-N 0 1 223.316 2.494 20 0 BEADMN COC[C@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621259226 370192057 /nfs/dbraw/zinc/19/20/57/370192057.db2.gz OUDJVUQCWRLONJ-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN Clc1cncc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000621269338 370201831 /nfs/dbraw/zinc/20/18/31/370201831.db2.gz RALPYACTWBJZNY-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCCc1nsc(NCC[C@H]2CC2(F)F)n1 ZINC000621346069 370281025 /nfs/dbraw/zinc/28/10/25/370281025.db2.gz BKTZDPDFSGFUAS-ZETCQYMHSA-N 0 1 247.314 2.370 20 0 BEADMN CCCc1nsc(NCC2CC(C)C2)n1 ZINC000621354598 370290600 /nfs/dbraw/zinc/29/06/00/370290600.db2.gz OURJKVCGCRTVEG-UHFFFAOYSA-N 0 1 225.361 2.371 20 0 BEADMN C[C@@H](CO)CN[C@@H](C(F)F)C1CCCCC1 ZINC000621402322 370335596 /nfs/dbraw/zinc/33/55/96/370335596.db2.gz ZOAADLNDLZZXHB-MWLCHTKSSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@H](CO)CN[C@@H](C(F)F)C1CCCCC1 ZINC000621402320 370340609 /nfs/dbraw/zinc/34/06/09/370340609.db2.gz ZOAADLNDLZZXHB-GXSJLCMTSA-N 0 1 235.318 2.418 20 0 BEADMN OCCCN[C@H](C(F)F)C1CCCCC1 ZINC000621404274 370341809 /nfs/dbraw/zinc/34/18/09/370341809.db2.gz NHYMCNSEIDAPMM-JTQLQIEISA-N 0 1 221.291 2.172 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC1CC(C)C1 ZINC000621672609 370424357 /nfs/dbraw/zinc/42/43/57/370424357.db2.gz MEDVTFLUNHINDO-OVGLSYRBSA-N 0 1 246.354 2.157 20 0 BEADMN CCCCN(CCOC)Cc1nccnc1C ZINC000621715739 370462396 /nfs/dbraw/zinc/46/23/96/370462396.db2.gz FIBWVFWKDBLXDF-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN Cc1nccnc1CN1CCS[C@H](C)[C@@H]1C ZINC000621717089 370465821 /nfs/dbraw/zinc/46/58/21/370465821.db2.gz WKSROGOTXUVROC-WDEREUQCSA-N 0 1 237.372 2.111 20 0 BEADMN CCOc1cncc(CN2[C@H](C)C[C@H]2C)c1 ZINC000621725431 370477168 /nfs/dbraw/zinc/47/71/68/370477168.db2.gz OFQSEHMAPJPNGF-GHMZBOCLSA-N 0 1 220.316 2.463 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)ccn1 ZINC000621773791 370517300 /nfs/dbraw/zinc/51/73/00/370517300.db2.gz BVXCCYAWHGDWCU-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)ccn1 ZINC000621773118 370517656 /nfs/dbraw/zinc/51/76/56/370517656.db2.gz GOBBTAXQFFKBNL-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])ccn1 ZINC000621773860 370518330 /nfs/dbraw/zinc/51/83/30/370518330.db2.gz DSFXPYTWHLOMCP-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CCOC1(C)CCN(Cc2nccnc2C)CC1 ZINC000621729528 370481744 /nfs/dbraw/zinc/48/17/44/370481744.db2.gz XKIBYEKLWCOETQ-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)C[C@H]1CO ZINC000621738923 370495752 /nfs/dbraw/zinc/49/57/52/370495752.db2.gz XKVYDMKWAFMMJX-ZJUUUORDSA-N 0 1 243.734 2.383 20 0 BEADMN CCn1cc(CN2CC(CC3CC3)C2)cn1 ZINC000621740165 370497926 /nfs/dbraw/zinc/49/79/26/370497926.db2.gz BDZUHHHMZMXVTK-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@@H](C)CC)n[nH]1 ZINC000066646474 370599772 /nfs/dbraw/zinc/59/97/72/370599772.db2.gz DQIMJEPMKOGCKI-VIFPVBQESA-N 0 1 223.320 2.233 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCCC(F)(F)F ZINC000568522504 326362610 /nfs/dbraw/zinc/36/26/10/326362610.db2.gz XABMUDKVHFVEJB-SSDOTTSWSA-N 0 1 227.226 2.124 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621956878 370620045 /nfs/dbraw/zinc/62/00/45/370620045.db2.gz AOGOBAQWYBABMI-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)CC[C@@H]1C ZINC000621938466 370610078 /nfs/dbraw/zinc/61/00/78/370610078.db2.gz BQQLIFMIDCMNSQ-QWRGUYRKSA-N 0 1 249.358 2.192 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000378655646 371009707 /nfs/dbraw/zinc/00/97/07/371009707.db2.gz AMHNKJYWBCVGAZ-YUMQZZPRSA-N 0 1 240.328 2.072 20 0 BEADMN CC[N@H+](Cc1nc(C(=O)[O-])cs1)CC(C)C ZINC000378658780 371012261 /nfs/dbraw/zinc/01/22/61/371012261.db2.gz FAWUUEZQCIUNHQ-UHFFFAOYSA-N 0 1 242.344 2.319 20 0 BEADMN CC(F)(F)CNCc1ccc2nc[nH]c2c1 ZINC000378738153 371017406 /nfs/dbraw/zinc/01/74/06/371017406.db2.gz HOJASEXIAMZYTB-UHFFFAOYSA-N 0 1 225.242 2.308 20 0 BEADMN Cc1cccc(CNCC(=O)NC2CCCC2)c1 ZINC000037871852 371068195 /nfs/dbraw/zinc/06/81/95/371068195.db2.gz CYUPYZCDDAAPBB-UHFFFAOYSA-N 0 1 246.354 2.143 20 0 BEADMN CCC[C@H](O)CN[C@H]1CCCc2scnc21 ZINC000623893007 371142530 /nfs/dbraw/zinc/14/25/30/371142530.db2.gz CCOOBXSSNCUYJX-UWVGGRQHSA-N 0 1 240.372 2.271 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000569018639 326387012 /nfs/dbraw/zinc/38/70/12/326387012.db2.gz BYGDOFCOOGOAKB-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1csc([C@H](C)N[C@@H](CO)CC2CC2)n1 ZINC000623924604 371157713 /nfs/dbraw/zinc/15/77/13/371157713.db2.gz HSMMYNRMUWYLHQ-GXSJLCMTSA-N 0 1 240.372 2.263 20 0 BEADMN CCC[C@@H](C)CCCN1CCN(C)C(=O)[C@@H]1C ZINC001642799449 1172406610 /nfs/dbraw/zinc/40/66/10/1172406610.db2.gz UFSRBBAXRLJACR-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN C/C=C/C[C@H](CO)N[C@H](C)c1nc(C)cs1 ZINC000623962893 371200330 /nfs/dbraw/zinc/20/03/30/371200330.db2.gz RPBQWKNWMBEOKV-XKFHPXPTSA-N 0 1 240.372 2.429 20 0 BEADMN Cc1nn(C)cc1CNCc1ccsc1 ZINC000020351168 371268941 /nfs/dbraw/zinc/26/89/41/371268941.db2.gz LSVBMUWWSNXNHN-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1nccn1C)OCC ZINC000624049394 371275171 /nfs/dbraw/zinc/27/51/71/371275171.db2.gz GOGWYLJFZLPCKO-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN C/C=C/CN[C@H](C)c1cc2n(n1)CCC2 ZINC000624199311 371389879 /nfs/dbraw/zinc/38/98/79/371389879.db2.gz LSOSRKHUWGQHQU-HMDXOVGESA-N 0 1 205.305 2.056 20 0 BEADMN CC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccn(C)n1 ZINC000624223282 371411273 /nfs/dbraw/zinc/41/12/73/371411273.db2.gz QATXZQNAFNCIMQ-OBJOEFQTSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H](C(=O)N1CCc2nc[nH]c2C1)C1CCCC1 ZINC000627369065 371588375 /nfs/dbraw/zinc/58/83/75/371588375.db2.gz JRLYQEMQOLUXJG-SNVBAGLBSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H]1CCCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627373261 371592272 /nfs/dbraw/zinc/59/22/72/371592272.db2.gz MELSYANKAOYIFV-GHMZBOCLSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H](CNC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000132769120 371918299 /nfs/dbraw/zinc/91/82/99/371918299.db2.gz JDMXDVAHIBKLJY-VIFPVBQESA-N 0 1 243.310 2.339 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cccc(OC)c1 ZINC000058504416 372040543 /nfs/dbraw/zinc/04/05/43/372040543.db2.gz DYGMVHRMBIKQLO-UHFFFAOYSA-N 0 1 245.282 2.233 20 0 BEADMN Cc1cnc(CNC(C2CC2)C2CC2)o1 ZINC000231730053 372073087 /nfs/dbraw/zinc/07/30/87/372073087.db2.gz MIFIDYIYBYVZER-UHFFFAOYSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)on1 ZINC000631155684 372212578 /nfs/dbraw/zinc/21/25/78/372212578.db2.gz IEXKCAFMOBQXNK-PHIMTYICSA-N 0 1 224.304 2.029 20 0 BEADMN CC(C)n1nccc1CNCC(C)(C)F ZINC000631188336 372223096 /nfs/dbraw/zinc/22/30/96/372223096.db2.gz BRNWJIMQWPORBD-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN CCC[C@H](CCO)NCc1csc(C)n1 ZINC000631196266 372228480 /nfs/dbraw/zinc/22/84/80/372228480.db2.gz JHYIQTKRCYVATI-SNVBAGLBSA-N 0 1 228.361 2.092 20 0 BEADMN CN(Cc1cn2ccsc2n1)CC1CC1 ZINC000171078701 372294805 /nfs/dbraw/zinc/29/48/05/372294805.db2.gz TUPSPRQKFARUPU-UHFFFAOYSA-N 0 1 221.329 2.238 20 0 BEADMN c1nc2c(ncnc2N[C@@H]2CCCC23CC3)[nH]1 ZINC000631417035 372349501 /nfs/dbraw/zinc/34/95/01/372349501.db2.gz APRWEDPKPCOWLV-MRVPVSSYSA-N 0 1 229.287 2.098 20 0 BEADMN CCC(C)(C)CCN=c1nc(COC)[n-]s1 ZINC000631452997 372372141 /nfs/dbraw/zinc/37/21/41/372372141.db2.gz ZVRWLWJMGXPPBR-UHFFFAOYSA-N 0 1 243.376 2.345 20 0 BEADMN CCN(C[C@H](O)C(F)(F)F)[C@H]1C=CCCC1 ZINC000189441346 259553320 /nfs/dbraw/zinc/55/33/20/259553320.db2.gz DAZASXVBLXJBFT-UWVGGRQHSA-N 0 1 237.265 2.340 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCCc2ncccc21 ZINC000631598649 372450091 /nfs/dbraw/zinc/45/00/91/372450091.db2.gz LFNYJCHEITYZKX-CQSZACIVSA-N 0 1 242.326 2.280 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NCC(C)(C)F ZINC000631659168 372484593 /nfs/dbraw/zinc/48/45/93/372484593.db2.gz QELCCUIINPVWNR-JTQLQIEISA-N 0 1 225.311 2.135 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NCC(C)(C)F ZINC000631659169 372484769 /nfs/dbraw/zinc/48/47/69/372484769.db2.gz QELCCUIINPVWNR-SNVBAGLBSA-N 0 1 225.311 2.135 20 0 BEADMN CCC[C@@H](CCO)N[C@@H](C)c1cscn1 ZINC000631670115 372496123 /nfs/dbraw/zinc/49/61/23/372496123.db2.gz TYPDYXSNXGQJHK-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755055 372558433 /nfs/dbraw/zinc/55/84/33/372558433.db2.gz XOOMRGTWTRLOIJ-JISRMSBWSA-N 0 1 233.237 2.320 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755625 372558898 /nfs/dbraw/zinc/55/88/98/372558898.db2.gz DEIJGFXHXMNFMI-BDODKLCJSA-N 0 1 247.264 2.330 20 0 BEADMN O=C(CSc1c[nH]nn1)C1CCCCC1 ZINC000270437210 182011321 /nfs/dbraw/zinc/01/13/21/182011321.db2.gz DKPNXNZAUZNWIU-UHFFFAOYSA-N 0 1 225.317 2.046 20 0 BEADMN O=[S@@](C=C(O)c1ccc[nH]1)C1CCCCC1 ZINC000173203885 182032992 /nfs/dbraw/zinc/03/29/92/182032992.db2.gz NSWUIKPVKCJUTK-INIZCTEOSA-N 0 1 239.340 2.279 20 0 BEADMN O=C(CCN1CCSCC1)c1ccccc1 ZINC000039618070 373008352 /nfs/dbraw/zinc/00/83/52/373008352.db2.gz FASGPVPLRRSHIT-UHFFFAOYSA-N 0 1 235.352 2.308 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1nccn1C ZINC000172860897 373096831 /nfs/dbraw/zinc/09/68/31/373096831.db2.gz ZADCRQYIFUYDRC-WDEREUQCSA-N 0 1 207.321 2.041 20 0 BEADMN O=C(NCC1CCCCC1)c1[nH]nc2c1CCC2 ZINC000298592777 182146357 /nfs/dbraw/zinc/14/63/57/182146357.db2.gz ZTYXDOYJHNTUMS-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CC(C)OC(=O)CN(C)CC1CCCC1 ZINC000058411164 1172448851 /nfs/dbraw/zinc/44/88/51/1172448851.db2.gz PIONSAMHLVIFHQ-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@H]1c1ccco1 ZINC000633789083 373759879 /nfs/dbraw/zinc/75/98/79/373759879.db2.gz LMKZYKFTAVUXPM-NSHDSACASA-N 0 1 245.282 2.226 20 0 BEADMN CCC[N@@H+](C)CC(=O)NCCC(C)(C)CC ZINC000633966862 373864630 /nfs/dbraw/zinc/86/46/30/373864630.db2.gz HIRSXRMMQJTBTG-UHFFFAOYSA-N 0 1 228.380 2.271 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@]12C[C@H]1CCCC2 ZINC000634086316 373953506 /nfs/dbraw/zinc/95/35/06/373953506.db2.gz MUKDCSFMEDGAII-JTNHKYCSSA-N 0 1 247.342 2.037 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)C[C@H](C)C2)o1 ZINC000041363020 374136536 /nfs/dbraw/zinc/13/65/36/374136536.db2.gz IOUMYIUIIOXWMA-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)[C@@H]1CCCCN1C ZINC000634368106 374213550 /nfs/dbraw/zinc/21/35/50/374213550.db2.gz XQVFQEHOIDYMTP-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000042975688 374313289 /nfs/dbraw/zinc/31/32/89/374313289.db2.gz SFMDKOLKGYOHOK-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)CC[C@@H](C)O ZINC000428240405 206054304 /nfs/dbraw/zinc/05/43/04/206054304.db2.gz PJFCRIQFPIEBAZ-SNVBAGLBSA-N 0 1 240.347 2.309 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@@H]1CCCc2[nH]cnc21 ZINC000370491139 182291420 /nfs/dbraw/zinc/29/14/20/182291420.db2.gz KNIZKYXNVQJEGU-GHMZBOCLSA-N 0 1 245.326 2.055 20 0 BEADMN CCCc1nc(C)c(CNC(C)(C)COC)o1 ZINC000428230159 206055016 /nfs/dbraw/zinc/05/50/16/206055016.db2.gz YRQNRVYHNILKFA-UHFFFAOYSA-N 0 1 240.347 2.450 20 0 BEADMN CCn1nccc1CN(C)[C@H]1CC1(C)C ZINC000426568713 206051571 /nfs/dbraw/zinc/05/15/71/206051571.db2.gz SLUOWMXKROAOFV-NSHDSACASA-N 0 1 207.321 2.133 20 0 BEADMN CCn1cc(CN(C)[C@H]2CC2(C)C)cn1 ZINC000426559226 206052222 /nfs/dbraw/zinc/05/22/22/206052222.db2.gz LPFCTVRUIIOFIN-NSHDSACASA-N 0 1 207.321 2.133 20 0 BEADMN C[C@H](CC1CCCC1)N[C@@H](C)c1ncn(C)n1 ZINC000437030069 206068557 /nfs/dbraw/zinc/06/85/57/206068557.db2.gz IPBYQNLMPABVJW-MNOVXSKESA-N 0 1 236.363 2.435 20 0 BEADMN CO[C@H]1CCN(Cc2oc(C(C)C)nc2C)C1 ZINC000428226195 206056139 /nfs/dbraw/zinc/05/61/39/206056139.db2.gz GPQKUPGKTRVKCR-NSHDSACASA-N 0 1 238.331 2.327 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H](C(C)C)CC2)[nH]1 ZINC000428227729 206057213 /nfs/dbraw/zinc/05/72/13/206057213.db2.gz JWFJILZYZJSNIL-LBPRGKRZSA-N 0 1 236.363 2.371 20 0 BEADMN O=C(N[C@@H]1CCc2c1cccc2O)C(F)(F)F ZINC000111603161 182313038 /nfs/dbraw/zinc/31/30/38/182313038.db2.gz AAAAELLYBCAFSX-MRVPVSSYSA-N 0 1 245.200 2.058 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000449425854 206097656 /nfs/dbraw/zinc/09/76/56/206097656.db2.gz IXMMNLCLYRDBRB-LLVKDONJSA-N 0 1 235.283 2.051 20 0 BEADMN CC(C)n1nccc1CN1CC[C@H]1C1CC1 ZINC000449425880 206098625 /nfs/dbraw/zinc/09/86/25/206098625.db2.gz JEISJOOOACWTCB-ZDUSSCGKSA-N 0 1 219.332 2.448 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1ccc2cncn2c1 ZINC000284327285 182326880 /nfs/dbraw/zinc/32/68/80/182326880.db2.gz LFVQELLLRWDQNP-LBPRGKRZSA-N 0 1 241.294 2.173 20 0 BEADMN CCc1nc(C[S@](=O)CCCC(C)C)n[nH]1 ZINC000194627488 206101711 /nfs/dbraw/zinc/10/17/11/206101711.db2.gz ITSYZVVNVOBDQN-MRXNPFEDSA-N 0 1 243.376 2.052 20 0 BEADMN CC1(CSCc2nn[n-]n2)CCCCC1 ZINC000451025565 206106560 /nfs/dbraw/zinc/10/65/60/206106560.db2.gz YYZXDMISNLEYOG-UHFFFAOYSA-N 0 1 226.349 2.403 20 0 BEADMN CC1(CSCc2nn[nH]n2)CCCCC1 ZINC000451025565 206106564 /nfs/dbraw/zinc/10/65/64/206106564.db2.gz YYZXDMISNLEYOG-UHFFFAOYSA-N 0 1 226.349 2.403 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnn2C2CCCC2)C1 ZINC000449025878 206095530 /nfs/dbraw/zinc/09/55/30/206095530.db2.gz CUAPYEGKYBPJEW-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CCOC1CC(CCNCc2cc(C)on2)C1 ZINC000459495096 206131904 /nfs/dbraw/zinc/13/19/04/206131904.db2.gz LLMNZJVLWHIJKT-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN FC(F)CN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000459540980 206132555 /nfs/dbraw/zinc/13/25/55/206132555.db2.gz FBLIQJAKJZYYGD-OUAUKWLOSA-N 0 1 233.302 2.436 20 0 BEADMN FC(F)CN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000459540978 206133320 /nfs/dbraw/zinc/13/33/20/206133320.db2.gz FBLIQJAKJZYYGD-GMTAPVOTSA-N 0 1 233.302 2.436 20 0 BEADMN CC[C@@H]1C[C@@H](CNCC(F)F)CCO1 ZINC000459546020 206133502 /nfs/dbraw/zinc/13/35/02/206133502.db2.gz MCSXLHJHRPFTGN-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1CCCC1 ZINC000082281377 182361807 /nfs/dbraw/zinc/36/18/07/182361807.db2.gz KRNTZDXYSOSWLK-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1CCCCC1 ZINC000082279934 182362828 /nfs/dbraw/zinc/36/28/28/182362828.db2.gz FENDGOXDBJHNPD-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)C1CC1 ZINC000078731966 182369304 /nfs/dbraw/zinc/36/93/04/182369304.db2.gz HGSAVBIVVGUUBE-UHFFFAOYSA-N 0 1 211.648 2.394 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000054298304 182477304 /nfs/dbraw/zinc/47/73/04/182477304.db2.gz UVFVYAILPPMLMH-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000042163597 182479389 /nfs/dbraw/zinc/47/93/89/182479389.db2.gz AJDBLEYSAWAPHJ-LBPRGKRZSA-N 0 1 219.284 2.126 20 0 BEADMN CCOC(=O)CN(C)C1CCCCCC1 ZINC000035175681 170213536 /nfs/dbraw/zinc/21/35/36/170213536.db2.gz XGDCEJRXXSDKDL-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CC[C@H](C)[C@H](C)N(C)Cc1nc(C)no1 ZINC001643622297 1172482468 /nfs/dbraw/zinc/48/24/68/1172482468.db2.gz IJXFYSGJTLGVKC-IUCAKERBSA-N 0 1 211.309 2.244 20 0 BEADMN OC1(CNCc2cscn2)CCCCCC1 ZINC000079619358 183020519 /nfs/dbraw/zinc/02/05/19/183020519.db2.gz HWMVQJMSOGKNGD-UHFFFAOYSA-N 0 1 240.372 2.318 20 0 BEADMN OCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363404395 183054513 /nfs/dbraw/zinc/05/45/13/183054513.db2.gz LSJYEDYPDCAHGU-ZDUSSCGKSA-N 0 1 241.281 2.484 20 0 BEADMN OCCN(Cc1cc(Cl)cs1)C1CC1 ZINC000194330664 183067472 /nfs/dbraw/zinc/06/74/72/183067472.db2.gz HPPACTKQSWQZEU-UHFFFAOYSA-N 0 1 231.748 2.358 20 0 BEADMN OCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000336338901 183072479 /nfs/dbraw/zinc/07/24/79/183072479.db2.gz BZTGPRFJFQBKDU-LBPRGKRZSA-N 0 1 246.310 2.347 20 0 BEADMN OCC[C@H](NCCC(F)(F)F)c1ccco1 ZINC000274378277 183096982 /nfs/dbraw/zinc/09/69/82/183096982.db2.gz CXHZPBLEQLDHKJ-QMMMGPOBSA-N 0 1 237.221 2.245 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccncc1Cl ZINC000303740617 183093206 /nfs/dbraw/zinc/09/32/06/183093206.db2.gz DGPOYPFFMPPTCK-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN OCC[C@H]1CSCCN1Cc1ccsc1 ZINC000355088427 183098785 /nfs/dbraw/zinc/09/87/85/183098785.db2.gz OHQSUZFLCSLJRX-NSHDSACASA-N 0 1 243.397 2.048 20 0 BEADMN OCCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000075976631 183102111 /nfs/dbraw/zinc/10/21/11/183102111.db2.gz GKJDYLUXAHVMIQ-UHFFFAOYSA-N 0 1 230.189 2.117 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3sccc3Cl)C[C@H]12 ZINC000367821619 183132007 /nfs/dbraw/zinc/13/20/07/183132007.db2.gz IEMXWONMWMDGSR-BRPSZJMVSA-N 0 1 243.759 2.072 20 0 BEADMN CCCCc1ccc(C(=O)N2CCNCC2)cc1 ZINC000057535858 169018838 /nfs/dbraw/zinc/01/88/38/169018838.db2.gz IWNCPZNGHUIRMF-UHFFFAOYSA-N 0 1 246.354 2.075 20 0 BEADMN OC[C@H](CC(F)F)NCc1ccc(Cl)o1 ZINC000336662700 183136472 /nfs/dbraw/zinc/13/64/72/183136472.db2.gz CGHDXULWEIFPMS-LURJTMIESA-N 0 1 239.649 2.039 20 0 BEADMN OC[C@H](NC/C=C/Cl)c1ccccc1 ZINC000183665531 183138962 /nfs/dbraw/zinc/13/89/62/183138962.db2.gz NFLJGOKHJJSPBH-ZPMKCOPCSA-N 0 1 211.692 2.062 20 0 BEADMN OC[C@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301366456 183153910 /nfs/dbraw/zinc/15/39/10/183153910.db2.gz QYORFYQEZLDURD-JTQLQIEISA-N 0 1 246.285 2.193 20 0 BEADMN OC[C@H]1CN(Cc2cccs2)CCC1(F)F ZINC000291295135 183155473 /nfs/dbraw/zinc/15/54/73/183155473.db2.gz QAFXMQIUTFWBJQ-SECBINFHSA-N 0 1 247.310 2.198 20 0 BEADMN OC[C@]1(F)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000336220526 183159680 /nfs/dbraw/zinc/15/96/80/183159680.db2.gz UPLJFUMWGBEPQR-AWEZNQCLSA-N 0 1 248.301 2.074 20 0 BEADMN OCc1ccc(CNCc2ccco2)cc1 ZINC000040544185 183164604 /nfs/dbraw/zinc/16/46/04/183164604.db2.gz HDTXITGEJYWDIU-UHFFFAOYSA-N 0 1 217.268 2.062 20 0 BEADMN O[C@@H](CNC/C=C/c1ccccc1)C(F)(F)F ZINC000227744170 183177250 /nfs/dbraw/zinc/17/72/50/183177250.db2.gz HTFUZKMEIIEWOH-ZPMKCOPCSA-N 0 1 245.244 2.213 20 0 BEADMN O[C@@H](CCNCc1cscn1)c1ccccc1 ZINC000289481608 183174569 /nfs/dbraw/zinc/17/45/69/183174569.db2.gz QOOOJUGLLZPJST-ZDUSSCGKSA-N 0 1 248.351 2.356 20 0 BEADMN O[C@@H](CN1CC2(CCC2)[C@H]1C1CC1)C(F)(F)F ZINC000357447538 183175750 /nfs/dbraw/zinc/17/57/50/183175750.db2.gz DGHQTZRLEPSJNT-VHSXEESVSA-N 0 1 249.276 2.174 20 0 BEADMN O[C@@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC000336561915 183197677 /nfs/dbraw/zinc/19/76/77/183197677.db2.gz QCMSZUKAMKVFCO-LLVKDONJSA-N 0 1 243.709 2.088 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(C2CC2)n1 ZINC000353745117 169076662 /nfs/dbraw/zinc/07/66/62/169076662.db2.gz KCYPPPJDBUDGOD-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CCCN(C)C(=O)c1[nH]nc2ccccc21 ZINC000060206027 169062526 /nfs/dbraw/zinc/06/25/26/169062526.db2.gz GMIHWFRHSFBCPP-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN CCCN(C)C(=O)c1cccc2n[nH]cc21 ZINC000049479158 169063262 /nfs/dbraw/zinc/06/32/62/169063262.db2.gz MYZWXZNPGJGTFA-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN CCCN(C)Cc1cnc([C@H](C)O)s1 ZINC000289122899 169081023 /nfs/dbraw/zinc/08/10/23/169081023.db2.gz NVUNRELNPVCPCF-QMMMGPOBSA-N 0 1 214.334 2.038 20 0 BEADMN O[C@H](CNC/C=C/c1ccccc1)C(F)(F)F ZINC000227744175 183223204 /nfs/dbraw/zinc/22/32/04/183223204.db2.gz HTFUZKMEIIEWOH-TZOMUSMUSA-N 0 1 245.244 2.213 20 0 BEADMN O[C@H](CNCc1ccccn1)c1ccccc1F ZINC000032102411 183224279 /nfs/dbraw/zinc/22/42/79/183224279.db2.gz YEKJKMCWFMNFBF-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000070499497 169098521 /nfs/dbraw/zinc/09/85/21/169098521.db2.gz OQRWNJFHHGZXRV-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN CCC[N@H+](CC(=O)[O-])CC1CCCCC1 ZINC000038021789 169098784 /nfs/dbraw/zinc/09/87/84/169098784.db2.gz YACBPGNEJNSXNQ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1c(F)cccc1F ZINC000086776150 169099079 /nfs/dbraw/zinc/09/90/79/169099079.db2.gz NAOLIHLPGFAWDY-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCCN(CC(N)=O)Cc1cc(C)c(C)cc1C ZINC000339705266 169109804 /nfs/dbraw/zinc/10/98/04/169109804.db2.gz GEQGZGAHSXVNFV-UHFFFAOYSA-N 0 1 248.370 2.309 20 0 BEADMN O[C@H]1CCN(Cc2cscn2)C12CCCC2 ZINC000292763828 183240130 /nfs/dbraw/zinc/24/01/30/183240130.db2.gz OPOZDGLRBWRJAM-NSHDSACASA-N 0 1 238.356 2.023 20 0 BEADMN CCCN(CC)C(=O)[C@H](N)c1ccccc1C ZINC000296565661 169116938 /nfs/dbraw/zinc/11/69/38/169116938.db2.gz VPFNZBUYANSEHD-CYBMUJFWSA-N 0 1 234.343 2.253 20 0 BEADMN O[C@H]1C[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000294846770 183248169 /nfs/dbraw/zinc/24/81/69/183248169.db2.gz NBTNALHMBUINOT-DTORHVGOSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@H]1CCCN(Cc2cc(F)cc(F)c2)CC1 ZINC000292992881 183235571 /nfs/dbraw/zinc/23/55/71/183235571.db2.gz CGFNPWRDVOGQPA-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@@H](N)c1ccccc1 ZINC000036200183 169135731 /nfs/dbraw/zinc/13/57/31/169135731.db2.gz VKPWGBFREZNGIZ-AWEZNQCLSA-N 0 1 246.354 2.335 20 0 BEADMN CCC[N@@H+](CCC(C)(C)C)CC(=O)[O-] ZINC000038022149 169139478 /nfs/dbraw/zinc/13/94/78/169139478.db2.gz DBEHPJYVVRODOO-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCCN(Cc1c[nH]nn1)Cc1ccccc1 ZINC000284289055 169176974 /nfs/dbraw/zinc/17/69/74/169176974.db2.gz NVVJBLBGVATRNU-UHFFFAOYSA-N 0 1 230.315 2.217 20 0 BEADMN [O-]c1cccc(C[NH2+]C[C@H]2CCCO2)c1Cl ZINC000295066154 183290667 /nfs/dbraw/zinc/29/06/67/183290667.db2.gz OWAZENBORWCING-SNVBAGLBSA-N 0 1 241.718 2.314 20 0 BEADMN [O-]c1cccc(C[NH2+][C@@H]2CCCOC2)c1Cl ZINC000293626139 183290730 /nfs/dbraw/zinc/29/07/30/183290730.db2.gz QRLXXTQXYVPRFH-SNVBAGLBSA-N 0 1 241.718 2.314 20 0 BEADMN Oc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000334428461 183291156 /nfs/dbraw/zinc/29/11/56/183291156.db2.gz IAPMNRHEDNQUQG-NEPJUHHUSA-N 0 1 209.264 2.372 20 0 BEADMN CCCN(CCO)Cc1cccc(F)c1F ZINC000048347053 169167773 /nfs/dbraw/zinc/16/77/73/169167773.db2.gz CJQWNRGPTHFXNW-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN c1c[nH]c([C@@H](N[C@@H]2CCOC2)C2CCCCC2)n1 ZINC000353629375 183328126 /nfs/dbraw/zinc/32/81/26/183328126.db2.gz FOGJTIHBEKCVSB-OLZOCXBDSA-N 0 1 249.358 2.410 20 0 BEADMN CCCN1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC000340865252 169202238 /nfs/dbraw/zinc/20/22/38/169202238.db2.gz WIGLJVCOYNQAKU-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN c1cc2c(cccc2CCNCc2cocn2)[nH]1 ZINC000337279015 183338195 /nfs/dbraw/zinc/33/81/95/183338195.db2.gz GJLRFXKQSZMZFR-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN c1cc(CN(CC2CC2)C2CCC2)no1 ZINC000352365624 183338727 /nfs/dbraw/zinc/33/87/27/183338727.db2.gz UPYLCBGCJFVIBJ-UHFFFAOYSA-N 0 1 206.289 2.439 20 0 BEADMN CCCNC(=O)CN[C@@H](CCC)c1cccnc1 ZINC000184881617 169226831 /nfs/dbraw/zinc/22/68/31/169226831.db2.gz GQDVAVYNCPOEBD-ZDUSSCGKSA-N 0 1 249.358 2.039 20 0 BEADMN CCCNC(=O)CN[C@@H](C)c1ccc(F)cc1 ZINC000035138371 169227501 /nfs/dbraw/zinc/22/75/01/169227501.db2.gz XBDVDEDTGKWDBB-JTQLQIEISA-N 0 1 238.306 2.003 20 0 BEADMN c1cc(CN2CCC23CCCCC3)n[nH]1 ZINC000369326120 183340588 /nfs/dbraw/zinc/34/05/88/183340588.db2.gz DBEIHNVPIBONHO-UHFFFAOYSA-N 0 1 205.305 2.318 20 0 BEADMN c1cc(CN2CCN(C3CC3)CC2)cs1 ZINC000121024294 183344001 /nfs/dbraw/zinc/34/40/01/183344001.db2.gz JZMMWMOQUCHFDE-UHFFFAOYSA-N 0 1 222.357 2.028 20 0 BEADMN c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)no1 ZINC000340517910 183353152 /nfs/dbraw/zinc/35/31/52/183353152.db2.gz OOTNHRJCWFSWNS-XQQFMLRXSA-N 0 1 248.326 2.112 20 0 BEADMN c1cc2c(o1)CCC[C@@H]2NCC[NH+]1CCCC1 ZINC000123909148 183372349 /nfs/dbraw/zinc/37/23/49/183372349.db2.gz GMQDXVPINSBIDJ-ZDUSSCGKSA-N 0 1 234.343 2.342 20 0 BEADMN c1nc(CN2CCC[C@H](c3ccncc3)C2)c[nH]1 ZINC000336264609 183362593 /nfs/dbraw/zinc/36/25/93/183362593.db2.gz ICXAQTUKYXHGGY-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ccco2)no1 ZINC000070131158 169276655 /nfs/dbraw/zinc/27/66/55/169276655.db2.gz YBBFVKYTOOIGKF-QMMMGPOBSA-N 0 1 221.260 2.390 20 0 BEADMN CCCN[C@@H](C)c1ncc(Br)cn1 ZINC000308293385 169276851 /nfs/dbraw/zinc/27/68/51/169276851.db2.gz OQSCANWWSNWFRV-ZETCQYMHSA-N 0 1 244.136 2.300 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ccncc2)no1 ZINC000109498364 169277195 /nfs/dbraw/zinc/27/71/95/169277195.db2.gz WCPBBLJYPUIVSQ-VIFPVBQESA-N 0 1 232.287 2.192 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C1CC1 ZINC000369621850 169299449 /nfs/dbraw/zinc/29/94/49/169299449.db2.gz MAOOMMXHBWPAGF-CMPLNLGQSA-N 0 1 225.332 2.203 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000371309404 169299583 /nfs/dbraw/zinc/29/95/83/169299583.db2.gz XOYFLSHXWHXSEY-JQWIXIFHSA-N 0 1 225.332 2.060 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000371309403 169300062 /nfs/dbraw/zinc/30/00/62/169300062.db2.gz XOYFLSHXWHXSEY-CMPLNLGQSA-N 0 1 225.332 2.060 20 0 BEADMN CCCOc1ccc2c(c1)CCN(CCOC)C2 ZINC000134519603 169323571 /nfs/dbraw/zinc/32/35/71/169323571.db2.gz WXMXPENUQFIYKT-UHFFFAOYSA-N 0 1 249.354 2.480 20 0 BEADMN CCCOc1cccc(CN2CCN(C)CC2)c1 ZINC000120508422 169325220 /nfs/dbraw/zinc/32/52/20/169325220.db2.gz RFFMLGKFNCRMHM-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)c1cccn1C ZINC000035255812 169364310 /nfs/dbraw/zinc/36/43/10/169364310.db2.gz HIZAUFJTIRGYIX-LLVKDONJSA-N 0 1 222.332 2.328 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(CC)C[C@@H](C)OC ZINC000361559967 169347732 /nfs/dbraw/zinc/34/77/32/169347732.db2.gz YTTBZCFOVPUORS-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@@H](C)C(=O)NCCN1CC=C(C)CC1 ZINC000355522980 169350235 /nfs/dbraw/zinc/35/02/35/169350235.db2.gz PCDGGRSFFVBLJG-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN CCC[C@@H](C)CN[C@@H](C)c1nc(C)no1 ZINC000336757822 169359739 /nfs/dbraw/zinc/35/97/39/169359739.db2.gz JNCCATOTFPRVNI-BDAKNGLRSA-N 0 1 211.309 2.465 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155860011 169373122 /nfs/dbraw/zinc/37/31/22/169373122.db2.gz BMMPWFXWNBAGIU-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268970428 169373216 /nfs/dbraw/zinc/37/32/16/169373216.db2.gz DNVVADSVRDBOHB-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@@H](CC)[S@](=O)Cc1n[nH]c(CC)n1 ZINC000359394181 169381762 /nfs/dbraw/zinc/38/17/62/169381762.db2.gz QQEPQUIYSBUIOM-JDNHERCYSA-N 0 1 243.376 2.195 20 0 BEADMN CCC[C@@H](CNCc1ncc(C)s1)OC ZINC000294694884 169384412 /nfs/dbraw/zinc/38/44/12/169384412.db2.gz BZJPBMMXQTVSIB-JTQLQIEISA-N 0 1 228.361 2.356 20 0 BEADMN c1snnc1CNC1CCCCCC1 ZINC000036902006 183555766 /nfs/dbraw/zinc/55/57/66/183555766.db2.gz XMYUCWDDOXODBF-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN COCC1([N@@H+](C)Cc2cc(C)ns2)CCC1 ZINC001644424714 1172557489 /nfs/dbraw/zinc/55/74/89/1172557489.db2.gz MPXGZFZXYYUEBI-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN COCC1(N(C)Cc2cc(C)ns2)CCC1 ZINC001644424714 1172557493 /nfs/dbraw/zinc/55/74/93/1172557493.db2.gz MPXGZFZXYYUEBI-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CCC[C@H](CNCc1csc(C)n1)OC ZINC000293676804 169498893 /nfs/dbraw/zinc/49/88/93/169498893.db2.gz MWXHMOYPOWUJTO-LLVKDONJSA-N 0 1 228.361 2.356 20 0 BEADMN CCC[C@](C)(O)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000345365632 169554367 /nfs/dbraw/zinc/55/43/67/169554367.db2.gz YTACMDXABMFXGY-LOWVWBTDSA-N 0 1 237.347 2.030 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1ccc(Cl)c(O)c1 ZINC001644664452 1172585980 /nfs/dbraw/zinc/58/59/80/1172585980.db2.gz RQUQXZZRGQFYGN-VIFPVBQESA-N 0 1 237.686 2.494 20 0 BEADMN CC(C)C[C@@H](CO)NCc1ncc(Cl)s1 ZINC000225328209 134354160 /nfs/dbraw/zinc/35/41/60/134354160.db2.gz PPGPEIVMCWUUNV-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CCCc1noc(CN2C[C@@H](C)[C@H](C)C2)n1 ZINC000336691713 169603762 /nfs/dbraw/zinc/60/37/62/169603762.db2.gz BTUPTSOTKYYQIX-NXEZZACHSA-N 0 1 223.320 2.110 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc[nH]n1 ZINC000185197746 134372682 /nfs/dbraw/zinc/37/26/82/134372682.db2.gz DMLCWVVDWDAWLE-STQMWFEESA-N 0 1 237.347 2.093 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCOC2)o1 ZINC000087415964 383838237 /nfs/dbraw/zinc/83/82/37/383838237.db2.gz BDOOGNXWZPANSW-CKYFFXLPSA-N 0 1 221.300 2.282 20 0 BEADMN CCc1cnccc1-c1nc([C@@H]2CCCN2)no1 ZINC000647145003 383839499 /nfs/dbraw/zinc/83/94/99/383839499.db2.gz LIPHMFGXIBOAQD-NSHDSACASA-N 0 1 244.298 2.119 20 0 BEADMN CC(C)CCCc1nc([C@@H]2CCCN2)no1 ZINC000647145137 383843343 /nfs/dbraw/zinc/84/33/43/383843343.db2.gz OPUZRVKSGQHCSZ-JTQLQIEISA-N 0 1 223.320 2.473 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(Cl)cn1 ZINC000066697377 383879579 /nfs/dbraw/zinc/87/95/79/383879579.db2.gz MOOZEXSPYLHASI-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc(F)cc1 ZINC000035273936 383846706 /nfs/dbraw/zinc/84/67/06/383846706.db2.gz CWJCNLUWEOTMQJ-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN C[C@]1(c2nc([C@H]3CCCN3)no2)CC=CCC1 ZINC000647144111 383831770 /nfs/dbraw/zinc/83/17/70/383831770.db2.gz MPBSTMFKTUNJDW-MFKMUULPSA-N 0 1 233.315 2.492 20 0 BEADMN C(c1nc([C@@H]2CCCN2)no1)[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000647144103 383832303 /nfs/dbraw/zinc/83/23/03/383832303.db2.gz MLZDNNXZVJUROL-RCWTZXSCSA-N 0 1 233.315 2.083 20 0 BEADMN C(=C1CCCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647152077 383934689 /nfs/dbraw/zinc/93/46/89/383934689.db2.gz WZRHXFUAEZNZRL-JTQLQIEISA-N 0 1 219.288 2.452 20 0 BEADMN Cn1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC000560133623 383918756 /nfs/dbraw/zinc/91/87/56/383918756.db2.gz JODNJKGXONZSJV-ZIAGYGMSSA-N 0 1 231.343 2.041 20 0 BEADMN C(CC1CCC1)c1nc([C@H]2CCCN2)no1 ZINC000647149956 383919158 /nfs/dbraw/zinc/91/91/58/383919158.db2.gz WOZOAGQAHCJZHG-SNVBAGLBSA-N 0 1 221.304 2.227 20 0 BEADMN Cn1cncc1CN[C@@H]1CCCc2occc21 ZINC000112340824 383919520 /nfs/dbraw/zinc/91/95/20/383919520.db2.gz GSUKYTDLAAKYII-GFCCVEGCSA-N 0 1 231.299 2.180 20 0 BEADMN CCC[C@@H](C)Cc1nc([C@H]2CCCN2)no1 ZINC000647150669 383924754 /nfs/dbraw/zinc/92/47/54/383924754.db2.gz LHMDPHFCJLKTMZ-NXEZZACHSA-N 0 1 223.320 2.473 20 0 BEADMN CCCCO[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647151701 383928113 /nfs/dbraw/zinc/92/81/13/383928113.db2.gz NBORXNGNZXWDCQ-UWVGGRQHSA-N 0 1 239.319 2.372 20 0 BEADMN C1[C@H](c2nc([C@@H]3CCCN3)no2)C12CCC2 ZINC000647147962 383889372 /nfs/dbraw/zinc/88/93/72/383889372.db2.gz CCVHOIGYTDUZIR-BDAKNGLRSA-N 0 1 219.288 2.152 20 0 BEADMN CN(CCc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000088202262 383889889 /nfs/dbraw/zinc/88/98/89/383889889.db2.gz UFVMVHVKXCHNKS-LLVKDONJSA-N 0 1 247.260 2.084 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)n[nH]1 ZINC000336442519 383889908 /nfs/dbraw/zinc/88/99/08/383889908.db2.gz KDTZGLATRICDLQ-QMTHXVAHSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@@H]1CC[C@@H](c2nc([C@@H]3CCCN3)no2)O1 ZINC000647148243 383890497 /nfs/dbraw/zinc/89/04/97/383890497.db2.gz JYMBKPMUOHHMSX-UTLUCORTSA-N 0 1 237.303 2.124 20 0 BEADMN C[C@H]1CC[C@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000558400277 383981747 /nfs/dbraw/zinc/98/17/47/383981747.db2.gz JESVRGYZNSWNMS-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000558400277 383981753 /nfs/dbraw/zinc/98/17/53/383981753.db2.gz JESVRGYZNSWNMS-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000037492150 383982067 /nfs/dbraw/zinc/98/20/67/383982067.db2.gz ASYIDLWMWZQMLG-UHFFFAOYSA-N 0 1 219.284 2.126 20 0 BEADMN CC[C@@H](NC1CCC(C(=O)OC)CC1)C(F)F ZINC000449362322 383982397 /nfs/dbraw/zinc/98/23/97/383982397.db2.gz MQGXUMPIPFZKFH-UDNWOFFPSA-N 0 1 249.301 2.352 20 0 BEADMN CC[C@H](NC[C@@H]1CCCOC1)C(F)F ZINC000449364829 383999353 /nfs/dbraw/zinc/99/93/53/383999353.db2.gz UKSZGOSPERCAGT-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CC[C@@H](NC[C@H]1CCSC1)C(F)F ZINC000449366203 384000682 /nfs/dbraw/zinc/00/06/82/384000682.db2.gz XZMTZMHBWDTODH-HTQZYQBOSA-N 0 1 209.305 2.373 20 0 BEADMN CCSCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345366114 383973092 /nfs/dbraw/zinc/97/30/92/383973092.db2.gz YXSQYDWMWPVUNJ-NXEZZACHSA-N 0 1 225.361 2.232 20 0 BEADMN CCCCN(CCOC)Cc1cc(C)no1 ZINC000068852058 384018776 /nfs/dbraw/zinc/01/87/76/384018776.db2.gz VNRBEALFMMUFTH-UHFFFAOYSA-N 0 1 226.320 2.232 20 0 BEADMN CC(C)NC(=O)C[N@@H+](C)CC(C(C)C)C(C)C ZINC000560259633 384026827 /nfs/dbraw/zinc/02/68/27/384026827.db2.gz ZQUVTRYLQXEKPZ-UHFFFAOYSA-N 0 1 242.407 2.371 20 0 BEADMN OC1(C(F)(F)F)CCN(CC2=CCCC2)CC1 ZINC000401173498 384025832 /nfs/dbraw/zinc/02/58/32/384025832.db2.gz UTILVIRUGSZPKU-UHFFFAOYSA-N 0 1 249.276 2.486 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000518560471 384011291 /nfs/dbraw/zinc/01/12/91/384011291.db2.gz ADHLDWOQDWZHGD-UHTWSYAYSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000235903078 384048605 /nfs/dbraw/zinc/04/86/05/384048605.db2.gz IGIAIGHTCOZYKS-LBPRGKRZSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1cccc(C)c1 ZINC000037991331 384050927 /nfs/dbraw/zinc/05/09/27/384050927.db2.gz DJJFVVVZKNNTSZ-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN COC[C@@H](C)NCc1nc(C2CC2)cs1 ZINC000090458656 384029000 /nfs/dbraw/zinc/02/90/00/384029000.db2.gz DFVCAANHUGLHMQ-MRVPVSSYSA-N 0 1 226.345 2.145 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H](F)C1 ZINC000569467710 384086544 /nfs/dbraw/zinc/08/65/44/384086544.db2.gz LJPACRONMQRMOP-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN CC[NH+]1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000334360419 384056254 /nfs/dbraw/zinc/05/62/54/384056254.db2.gz YZJMPJXBZUKJIH-NSHDSACASA-N 0 1 232.318 2.059 20 0 BEADMN CO[C@H]1C[C@H](NCc2csc(C)n2)C1(C)C ZINC000227825982 134389424 /nfs/dbraw/zinc/38/94/24/134389424.db2.gz MUDIANCBCXQBOC-QWRGUYRKSA-N 0 1 240.372 2.355 20 0 BEADMN C[C@@H](NCC1CCCC1)c1csnn1 ZINC000398317631 384068772 /nfs/dbraw/zinc/06/87/72/384068772.db2.gz GHTDEKOZVVHUKD-MRVPVSSYSA-N 0 1 211.334 2.379 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@H](C)C1 ZINC000077901353 384072287 /nfs/dbraw/zinc/07/22/87/384072287.db2.gz XVCYKPHNDAKWMJ-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cn[nH]c1 ZINC000560343635 384081035 /nfs/dbraw/zinc/08/10/35/384081035.db2.gz QTUIOEUWESRRKL-SMDDNHRTSA-N 0 1 245.326 2.102 20 0 BEADMN CC[N@@H+](CCO)CCSc1ccccc1 ZINC000050105305 384108573 /nfs/dbraw/zinc/10/85/73/384108573.db2.gz JQPGWLREUVBJHU-UHFFFAOYSA-N 0 1 225.357 2.093 20 0 BEADMN CC(C)(C)c1n[nH]c(SCc2ccon2)n1 ZINC000115965343 384109045 /nfs/dbraw/zinc/10/90/45/384109045.db2.gz MRJKCMJDINUZRL-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070499522 384113785 /nfs/dbraw/zinc/11/37/85/384113785.db2.gz UNZXMUDCXOFDAZ-JTQLQIEISA-N 0 1 233.311 2.080 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449380703 384092976 /nfs/dbraw/zinc/09/29/76/384092976.db2.gz OKTDGLXAWXVLGL-SDDRHHMPSA-N 0 1 247.329 2.479 20 0 BEADMN Cn1cc(CN2CCC[C@@H]2c2cccn2C)cn1 ZINC000071122687 384151736 /nfs/dbraw/zinc/15/17/36/384151736.db2.gz WMUXFJPUHJNAPK-CQSZACIVSA-N 0 1 244.342 2.096 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000091929393 384155325 /nfs/dbraw/zinc/15/53/25/384155325.db2.gz ACYOGFSBVVFFDC-NSHDSACASA-N 0 1 220.316 2.328 20 0 BEADMN CCc1ccc(CN2CCC[C@@H](OC)C2)o1 ZINC000091772513 384143352 /nfs/dbraw/zinc/14/33/52/384143352.db2.gz PBGRUNSGMAVTPE-GFCCVEGCSA-N 0 1 223.316 2.453 20 0 BEADMN COC[C@@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000081053721 384178505 /nfs/dbraw/zinc/17/85/05/384178505.db2.gz VSVAZVWNEZGTID-LLVKDONJSA-N 0 1 240.734 2.203 20 0 BEADMN c1cn(C2CCN(Cc3cncs3)CC2)cn1 ZINC000092648441 384187881 /nfs/dbraw/zinc/18/78/81/384187881.db2.gz OGFMDEFKGYYIMK-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(C)n1 ZINC000092430892 384188638 /nfs/dbraw/zinc/18/86/38/384188638.db2.gz JLVUWORWTCFBCI-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN CCSCCNCc1csc(COC)n1 ZINC000291563117 384230921 /nfs/dbraw/zinc/23/09/21/384230921.db2.gz NGIBQDXSIAHRRC-UHFFFAOYSA-N 0 1 246.401 2.132 20 0 BEADMN CC(C)CN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC000173616561 384239190 /nfs/dbraw/zinc/23/91/90/384239190.db2.gz OYOGNTLBXKCMRU-UHFFFAOYSA-N 0 1 240.391 2.364 20 0 BEADMN CN(Cc1ccco1)C[C@H]1CCCCO1 ZINC000042366712 384213317 /nfs/dbraw/zinc/21/33/17/384213317.db2.gz MRBHDXFHVSIXOK-LLVKDONJSA-N 0 1 209.289 2.281 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)n[nH]1 ZINC000294073503 384216921 /nfs/dbraw/zinc/21/69/21/384216921.db2.gz ANBUHBOGRLQHMX-JQWIXIFHSA-N 0 1 247.342 2.369 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CCOC2)o1 ZINC000132093826 384218042 /nfs/dbraw/zinc/21/80/42/384218042.db2.gz PSDUHHPFTZTZSN-JTQLQIEISA-N 0 1 209.289 2.063 20 0 BEADMN c1nc2cnccn2c1C[N@H+]1CCC2(CCC2)C1 ZINC000093455815 384240388 /nfs/dbraw/zinc/24/03/88/384240388.db2.gz HHDVBYFBIKALNT-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN CC[C@@H](C[N@H+]1CCC[C@H](OC(F)F)C1)OC ZINC000642700664 384225441 /nfs/dbraw/zinc/22/54/41/384225441.db2.gz DNKLEICGERQGRG-UWVGGRQHSA-N 0 1 237.290 2.115 20 0 BEADMN c1cnn(CC[N@H+]2CCc3ccsc3C2)c1 ZINC000132774782 384249353 /nfs/dbraw/zinc/24/93/53/384249353.db2.gz GAGGWHPAZIQZLC-UHFFFAOYSA-N 0 1 233.340 2.003 20 0 BEADMN Cc1c(CN[C@H]2CCCc3occc32)cnn1C ZINC000093649377 384256790 /nfs/dbraw/zinc/25/67/90/384256790.db2.gz BJNQBGXBFMXRMU-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1csc(CNCCc2ccco2)n1 ZINC000082725366 384258452 /nfs/dbraw/zinc/25/84/52/384258452.db2.gz MZRZFLSMYUZLAI-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN CO[C@H]1CN(Cc2cnc(C)s2)CC[C@@H]1C ZINC000251895881 384258947 /nfs/dbraw/zinc/25/89/47/384258947.db2.gz QQEVFUHILNOSHR-CABZTGNLSA-N 0 1 240.372 2.308 20 0 BEADMN Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336629914 384268562 /nfs/dbraw/zinc/26/85/62/384268562.db2.gz WRZOYZOCDTZUOS-OCCSQVGLSA-N 0 1 249.358 2.027 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)co1 ZINC000187514696 384269739 /nfs/dbraw/zinc/26/97/39/384269739.db2.gz QZTYHVAXMGKKIL-MFKMUULPSA-N 0 1 248.326 2.143 20 0 BEADMN COCc1cnc(CN[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000564471877 384271520 /nfs/dbraw/zinc/27/15/20/384271520.db2.gz UFDIDSACLIOBRU-PEGIJTEDSA-N 0 1 238.356 2.178 20 0 BEADMN CCCC(C)(C)NC(=O)c1coc(CN)c1 ZINC000187595173 384276834 /nfs/dbraw/zinc/27/68/34/384276834.db2.gz VSWKIYHAQTYZAU-UHFFFAOYSA-N 0 1 224.304 2.047 20 0 BEADMN Clc1ccc(CNCC2=CCCOC2)nc1 ZINC000133605849 384304134 /nfs/dbraw/zinc/30/41/34/384304134.db2.gz KDRLKAQTAIYKKF-UHFFFAOYSA-N 0 1 238.718 2.171 20 0 BEADMN Cc1ccccc1C1(NCc2cn[nH]c2)CC1 ZINC000647224510 384280118 /nfs/dbraw/zinc/28/01/18/384280118.db2.gz LKADDYVGOPFBPI-UHFFFAOYSA-N 0 1 227.311 2.497 20 0 BEADMN CCOC[C@@H](C)N[C@H](C)c1nccs1 ZINC000083143209 384283613 /nfs/dbraw/zinc/28/36/13/384283613.db2.gz GFZLFPWTNFRUQX-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN Cc1nccc(N[C@@H]2CO[C@@H](C)C2)c1Cl ZINC000335442785 384285152 /nfs/dbraw/zinc/28/51/52/384285152.db2.gz XXCHJSLPJAODGF-CBAPKCEASA-N 0 1 226.707 2.055 20 0 BEADMN COC(=O)CN(C)CC1CCCCCC1 ZINC000179396770 384286135 /nfs/dbraw/zinc/28/61/35/384286135.db2.gz DZKIQHBTUKMPJS-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC[C@H](Cc1ccccc1)N(C)C(=O)CN(C)C ZINC000174036313 384296175 /nfs/dbraw/zinc/29/61/75/384296175.db2.gz HPFCGWPPTKTCIJ-CQSZACIVSA-N 0 1 248.370 2.028 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000083410316 384300641 /nfs/dbraw/zinc/30/06/41/384300641.db2.gz KZFYNCCGPKQSTG-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN Cc1cc(C[N@H+](C)[C@H](C)C(=O)[O-])c(C)s1 ZINC000083406997 384300830 /nfs/dbraw/zinc/30/08/30/384300830.db2.gz WVWUITNANSHIKP-MRVPVSSYSA-N 0 1 227.329 2.270 20 0 BEADMN C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)[O-] ZINC000083410273 384301218 /nfs/dbraw/zinc/30/12/18/384301218.db2.gz WIBCIGITURCLAL-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732524 384302084 /nfs/dbraw/zinc/30/20/84/384302084.db2.gz TZEKUFRAQUWVSW-MRVPVSSYSA-N 0 1 231.299 2.400 20 0 BEADMN CCc1ccc(CN(CC)[C@H]2CCOC2)o1 ZINC000361235536 384302762 /nfs/dbraw/zinc/30/27/62/384302762.db2.gz CDKQFRZEXOMTQX-NSHDSACASA-N 0 1 223.316 2.453 20 0 BEADMN Cc1nnc(NC(=O)c2c(C)cc(C)cc2C)[nH]1 ZINC000120240526 384339904 /nfs/dbraw/zinc/33/99/04/384339904.db2.gz DQHLTFZVPRRGGQ-UHFFFAOYSA-N 0 1 244.298 2.291 20 0 BEADMN Cc1n[nH]c(NC(=O)c2c(C)cc(C)cc2C)n1 ZINC000120240526 384339907 /nfs/dbraw/zinc/33/99/07/384339907.db2.gz DQHLTFZVPRRGGQ-UHFFFAOYSA-N 0 1 244.298 2.291 20 0 BEADMN C[C@H](N[C@H]1CSC1(C)C)c1ccncn1 ZINC000335585747 384347162 /nfs/dbraw/zinc/34/71/62/384347162.db2.gz XBFABLLCNAXVDC-WPRPVWTQSA-N 0 1 223.345 2.021 20 0 BEADMN Cc1cnc([C@@H](C)N[C@H](CCO)C(C)C)o1 ZINC000330364059 384365064 /nfs/dbraw/zinc/36/50/64/384365064.db2.gz CRMACULQLJXQRE-GHMZBOCLSA-N 0 1 226.320 2.041 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCCC(C)(C)C1 ZINC000084095061 384366642 /nfs/dbraw/zinc/36/66/42/384366642.db2.gz YHLRJVSKCWVSPE-LLVKDONJSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1nccc(NC[C@H]2CC[C@H](O)C2)c1Cl ZINC000335557894 384326421 /nfs/dbraw/zinc/32/64/21/384326421.db2.gz LQWPOHOBLPIHFD-UWVGGRQHSA-N 0 1 240.734 2.038 20 0 BEADMN CC(C)N(CC(N)=O)Cc1coc2ccccc12 ZINC000179657409 384326796 /nfs/dbraw/zinc/32/67/96/384326796.db2.gz PNKQZEMLPGKHQE-UHFFFAOYSA-N 0 1 246.310 2.129 20 0 BEADMN c1csc(CN2CCCC3(C2)OCCO3)c1 ZINC000134035178 384328077 /nfs/dbraw/zinc/32/80/77/384328077.db2.gz KZHJPXJAFSQJMU-UHFFFAOYSA-N 0 1 239.340 2.087 20 0 BEADMN CC(C)CCOCCNCc1ccccn1 ZINC000044387318 384330051 /nfs/dbraw/zinc/33/00/51/384330051.db2.gz GIVMZELRVDKNNN-UHFFFAOYSA-N 0 1 222.332 2.234 20 0 BEADMN Cc1noc(CN2CC[C@H](c3ccccc3)C2)n1 ZINC000120138852 384331150 /nfs/dbraw/zinc/33/11/50/384331150.db2.gz SOQJEPQYOMFEQX-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CCCCN(CC)CC(=O)c1cccn1C ZINC000035036326 384392894 /nfs/dbraw/zinc/39/28/94/384392894.db2.gz JZQOEVIRHYWCAO-UHFFFAOYSA-N 0 1 222.332 2.330 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000084340151 384392958 /nfs/dbraw/zinc/39/29/58/384392958.db2.gz WNZGXPRSYHBEBV-HTAVTVPLSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000084347403 384392995 /nfs/dbraw/zinc/39/29/95/384392995.db2.gz BJLCVZPACLBYTJ-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cscn1 ZINC000560897012 384400265 /nfs/dbraw/zinc/40/02/65/384400265.db2.gz LUKDYDVQNUSBSE-NGZCFLSTSA-N 0 1 226.345 2.361 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000084656663 384406504 /nfs/dbraw/zinc/40/65/04/384406504.db2.gz UETIOXMOMFYZKI-GFCCVEGCSA-N 0 1 219.284 2.080 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC000121406932 384415080 /nfs/dbraw/zinc/41/50/80/384415080.db2.gz BHFFTAJGOYJLOZ-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CC(=O)c1cc(CN(C)[C@@H]2CC[C@@H](C)C2)on1 ZINC000566417353 384417135 /nfs/dbraw/zinc/41/71/35/384417135.db2.gz XOXFBGCSQQYIRU-MWLCHTKSSA-N 0 1 236.315 2.498 20 0 BEADMN Cc1ccoc1CN[C@@H]1CCCc2c1cnn2C ZINC000135147230 384419803 /nfs/dbraw/zinc/41/98/03/384419803.db2.gz JVVAARQBCWVGOG-GFCCVEGCSA-N 0 1 245.326 2.489 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1nccc(N)n1 ZINC000135211350 384424329 /nfs/dbraw/zinc/42/43/29/384424329.db2.gz YRXJKKVIDPGTMM-GFCCVEGCSA-N 0 1 248.374 2.459 20 0 BEADMN Cc1cccn2c(CN3CC(C4CC4)C3)cnc12 ZINC000643345283 384375490 /nfs/dbraw/zinc/37/54/90/384375490.db2.gz MQIGBTHWCOQJFI-UHFFFAOYSA-N 0 1 241.338 2.485 20 0 BEADMN CCc1ccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)o1 ZINC000134649354 384376680 /nfs/dbraw/zinc/37/66/80/384376680.db2.gz HMKSJXNUBGGHIQ-GRYCIOLGSA-N 0 1 235.327 2.430 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@H]2C)c(C)s1 ZINC000335608335 384383987 /nfs/dbraw/zinc/38/39/87/384383987.db2.gz KIGHIIYVOOSXLN-CABZTGNLSA-N 0 1 240.372 2.417 20 0 BEADMN CC[N@H+](CC(=O)[O-])CC1CCCCCC1 ZINC000084330688 384388744 /nfs/dbraw/zinc/38/87/44/384388744.db2.gz OLJIWFAAJFAFQI-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CSC[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000135477390 384448483 /nfs/dbraw/zinc/44/84/83/384448483.db2.gz GZIDYTWTPOIMOE-GFCCVEGCSA-N 0 1 222.357 2.409 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC000135475143 384449109 /nfs/dbraw/zinc/44/91/09/384449109.db2.gz VOQDRIULYYQRAD-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN CSC[C@@H]1CCCN1Cc1cc(C)on1 ZINC000135475143 384449115 /nfs/dbraw/zinc/44/91/15/384449115.db2.gz VOQDRIULYYQRAD-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN C[C@@H](NC(=O)C=CC1CCCCC1)c1nnc[nH]1 ZINC000255202857 384451117 /nfs/dbraw/zinc/45/11/17/384451117.db2.gz BSHAVVBOPWUMFS-GQYWMQPJSA-N 0 1 248.330 2.118 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@@H]1CCCCS1)CC2 ZINC000334357007 384455080 /nfs/dbraw/zinc/45/50/80/384455080.db2.gz OTRNOWPYWQFNCH-QWRGUYRKSA-N 0 1 237.372 2.203 20 0 BEADMN Cc1[nH]ncc1CNc1cccc([S@@](C)=O)c1 ZINC000121786677 384439856 /nfs/dbraw/zinc/43/98/56/384439856.db2.gz HDNLYLCNJNWKJR-KRWDZBQOSA-N 0 1 249.339 2.068 20 0 BEADMN CCCC[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000078821544 384467088 /nfs/dbraw/zinc/46/70/88/384467088.db2.gz NXLVKSHPGQCNEO-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN CCCCN(C)CC(=O)N1CCc2ccccc21 ZINC000078821544 384467096 /nfs/dbraw/zinc/46/70/96/384467096.db2.gz NXLVKSHPGQCNEO-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN C[C@H](NC[C@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161209712 384473725 /nfs/dbraw/zinc/47/37/25/384473725.db2.gz KUBOXJIJWNJKON-UMNHJUIQSA-N 0 1 240.372 2.345 20 0 BEADMN C[C@@H]1C[C@@H](NCc2c(F)cccc2F)CO1 ZINC000335663573 384476365 /nfs/dbraw/zinc/47/63/65/384476365.db2.gz NUQKLRXHLTZGDG-RKDXNWHRSA-N 0 1 227.254 2.232 20 0 BEADMN CCc1cc(C(=O)N2CCCC[C@@H]2CC)n[nH]1 ZINC000122349597 384478392 /nfs/dbraw/zinc/47/83/92/384478392.db2.gz DALBPPPDOVDZOB-NSHDSACASA-N 0 1 235.331 2.377 20 0 BEADMN CCC[N@@H+](CCO)CCc1c(F)cccc1F ZINC000402107014 384478560 /nfs/dbraw/zinc/47/85/60/384478560.db2.gz XNOITEKEZPQQPL-UHFFFAOYSA-N 0 1 243.297 2.212 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000029516229 384480997 /nfs/dbraw/zinc/48/09/97/384480997.db2.gz HAQQUMGKPOZVBL-GHMZBOCLSA-N 0 1 249.358 2.480 20 0 BEADMN C[C@H]([C@H](C)O)N1CCc2ccc(Cl)cc2C1 ZINC001645145197 1172638295 /nfs/dbraw/zinc/63/82/95/1172638295.db2.gz MEBQPYSKWFGLKK-ZJUUUORDSA-N 0 1 239.746 2.467 20 0 BEADMN CCN(CC(=O)NCCC(C)(C)C)C1CC1 ZINC000122667457 384499992 /nfs/dbraw/zinc/49/99/92/384499992.db2.gz ARSBGDBAOJEESS-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000048622516 384500636 /nfs/dbraw/zinc/50/06/36/384500636.db2.gz PIXMETDEQVOVRI-VIFPVBQESA-N 0 1 223.320 2.225 20 0 BEADMN COC[C@H](C)Nc1cc2c(cn1)CCCC2 ZINC000309559255 384510578 /nfs/dbraw/zinc/51/05/78/384510578.db2.gz KOEQIAQBBNQASW-JTQLQIEISA-N 0 1 220.316 2.407 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CC[C@H](O)c1ccccc1 ZINC000290275810 384490294 /nfs/dbraw/zinc/49/02/94/384490294.db2.gz LVYAUAARIZQSQA-IPYPFGDCSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1ccncc1CN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000361413470 384493531 /nfs/dbraw/zinc/49/35/31/384493531.db2.gz QFBCAFOLZNDCQL-OCCSQVGLSA-N 0 1 234.343 2.389 20 0 BEADMN O=C([O-])CC[N@H+]1CCC2(C1)CCCCC2 ZINC000238161642 384522153 /nfs/dbraw/zinc/52/21/53/384522153.db2.gz AKQOVDBCXGGHED-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN COC[C@H](NCc1nc(C)cs1)C(C)C ZINC000085445091 384523931 /nfs/dbraw/zinc/52/39/31/384523931.db2.gz DMSGCUBRYBLIRS-JTQLQIEISA-N 0 1 228.361 2.212 20 0 BEADMN CC(C)(Cc1nc([C@H]2CCCN2)no1)C1CC1 ZINC000405771492 384552182 /nfs/dbraw/zinc/55/21/82/384552182.db2.gz MTCAQYYFIUBTFB-SNVBAGLBSA-N 0 1 235.331 2.473 20 0 BEADMN CC[C@H](O)CCCN[C@@H](C)c1cc(C)on1 ZINC000309712722 384553220 /nfs/dbraw/zinc/55/32/20/384553220.db2.gz RIKMOJBZQUVSGB-QWRGUYRKSA-N 0 1 226.320 2.185 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccco1 ZINC000085590510 384539059 /nfs/dbraw/zinc/53/90/59/384539059.db2.gz PAUKUEONZOBGQR-SNVBAGLBSA-N 0 1 204.273 2.469 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCO1)c1nccs1 ZINC000183932328 384541343 /nfs/dbraw/zinc/54/13/43/384541343.db2.gz MBCRVEZODXQXGX-MNOVXSKESA-N 0 1 240.372 2.357 20 0 BEADMN CC(C)C[C@H]1COCCN1CCc1cccnc1 ZINC000172166697 384541424 /nfs/dbraw/zinc/54/14/24/384541424.db2.gz FIOKIMCRQZRMSG-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN C[C@@H]1[C@@H](c2nc(C3(N)CCCC3)no2)C1(F)F ZINC000334842314 384579872 /nfs/dbraw/zinc/57/98/72/384579872.db2.gz LCOJEDAOTSGHFB-RQJHMYQMSA-N 0 1 243.257 2.166 20 0 BEADMN Cc1cnc(NC(=O)c2c[nH]nc2C2CC2)s1 ZINC000184285035 384588211 /nfs/dbraw/zinc/58/82/11/384588211.db2.gz IETZIQUTYNYJOZ-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1cccnc1Cl ZINC000276899810 384564351 /nfs/dbraw/zinc/56/43/51/384564351.db2.gz IYIWANKSOUJZTM-IUCAKERBSA-N 0 1 228.723 2.421 20 0 BEADMN CC(C)CCCN1CCC[C@H]1c1nncn1C ZINC000363901283 384602898 /nfs/dbraw/zinc/60/28/98/384602898.db2.gz ZMKJJMNJZLSRIR-LBPRGKRZSA-N 0 1 236.363 2.388 20 0 BEADMN CCCCCC(=O)NCCCc1cn[nH]c1C ZINC000050183199 384604803 /nfs/dbraw/zinc/60/48/03/384604803.db2.gz AGTWWSGKIQQPTI-UHFFFAOYSA-N 0 1 237.347 2.347 20 0 BEADMN CSc1ccc(C(=O)Nc2nnc(C)[nH]2)cc1 ZINC000103254147 384604980 /nfs/dbraw/zinc/60/49/80/384604980.db2.gz VXCKPTFUPYNDSJ-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CSc1ccc(C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000103254147 384604986 /nfs/dbraw/zinc/60/49/86/384604986.db2.gz VXCKPTFUPYNDSJ-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CC(C)CC[S@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427464974 384612871 /nfs/dbraw/zinc/61/28/71/384612871.db2.gz FQBRSAYUDABOJW-INIZCTEOSA-N 0 1 243.376 2.223 20 0 BEADMN COC[C@H](NC[C@H]1CCCCO1)c1ccco1 ZINC000184530422 384614081 /nfs/dbraw/zinc/61/40/81/384614081.db2.gz PWDRGKBZPLGBHO-NEPJUHHUSA-N 0 1 239.315 2.126 20 0 BEADMN C[C@H](NCc1cccn1C)c1ccccn1 ZINC000020360453 384614418 /nfs/dbraw/zinc/61/44/18/384614418.db2.gz POBJKIQYRJJUEQ-NSHDSACASA-N 0 1 215.300 2.271 20 0 BEADMN CC/C=C/CCN(CC(N)=O)Cc1ccccc1 ZINC000184549509 384620506 /nfs/dbraw/zinc/62/05/06/384620506.db2.gz QANYNKFRPYNYAZ-ONEGZZNKSA-N 0 1 246.354 2.330 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2)[nH]1 ZINC000100216807 384624319 /nfs/dbraw/zinc/62/43/19/384624319.db2.gz PZYICGSSNPCUST-UHFFFAOYSA-N 0 1 202.257 2.185 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN(CCO)C2CC2)o1 ZINC000081649279 384629084 /nfs/dbraw/zinc/62/90/84/384629084.db2.gz BBVWWOGVWVVMCL-MFKMUULPSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000517959083 384593796 /nfs/dbraw/zinc/59/37/96/384593796.db2.gz BZDCMVWKTMVAFF-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[N@@H+](CCCOC(C)C)Cc1cnn(C)c1 ZINC000171501256 384594529 /nfs/dbraw/zinc/59/45/29/384594529.db2.gz PKICCYPZDWTKNU-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN CCc1cc(C(=O)N2CCCC[C@@H](C)C2)n[nH]1 ZINC000184403789 384601711 /nfs/dbraw/zinc/60/17/11/384601711.db2.gz OWMMGJPKHDFCSX-SNVBAGLBSA-N 0 1 235.331 2.234 20 0 BEADMN Cc1cc(CC(=O)N[C@H](C)c2ccccc2)[nH]n1 ZINC000082306060 384663634 /nfs/dbraw/zinc/66/36/34/384663634.db2.gz RDOXWYVTMHFNRY-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN CCc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000082323281 384668814 /nfs/dbraw/zinc/66/88/14/384668814.db2.gz FDODMRFAQAKXNA-ZDUSSCGKSA-N 0 1 232.327 2.282 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000184981271 384669691 /nfs/dbraw/zinc/66/96/91/384669691.db2.gz YQRDOHLCUSMIJI-CHWSQXEVSA-N 0 1 249.358 2.059 20 0 BEADMN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C)c1 ZINC000082322897 384669941 /nfs/dbraw/zinc/66/99/41/384669941.db2.gz LEZRFSGJRXVJAK-ZDUSSCGKSA-N 0 1 232.327 2.336 20 0 BEADMN CC(C)(C)n1cc(CNC(C)(C)CF)cn1 ZINC000309610747 384640076 /nfs/dbraw/zinc/64/00/76/384640076.db2.gz MPCGPBIJFVCQHG-UHFFFAOYSA-N 0 1 227.327 2.476 20 0 BEADMN CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccccc1 ZINC000184726435 384643359 /nfs/dbraw/zinc/64/33/59/384643359.db2.gz XEPHVDQPUMPHNO-UHFFFAOYSA-N 0 1 247.342 2.245 20 0 BEADMN Cc1cnn(C)c1CN1CCC(F)(F)[C@H](C)C1 ZINC000291609472 384645395 /nfs/dbraw/zinc/64/53/95/384645395.db2.gz QYHMPQAVDFLRKL-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN CCc1ccc([C@@H](COC)NC[C@@H](C)OC)o1 ZINC000184822986 384652592 /nfs/dbraw/zinc/65/25/92/384652592.db2.gz RNAISYUDWHQLMX-ZYHUDNBSSA-N 0 1 241.331 2.154 20 0 BEADMN Cn1cncc1CNCc1cccc(Cl)c1 ZINC000082393770 384677692 /nfs/dbraw/zinc/67/76/92/384677692.db2.gz JMUFLEJAMRHPMB-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN COC(=O)[C@H]1CCCN1Cc1cccc(C)c1C ZINC000124776298 384678423 /nfs/dbraw/zinc/67/84/23/384678423.db2.gz SFMIYLSZXKOQNT-CQSZACIVSA-N 0 1 247.338 2.441 20 0 BEADMN CCCCNC(=O)CN1CCC(C2CC2)CC1 ZINC000368330814 384681389 /nfs/dbraw/zinc/68/13/89/384681389.db2.gz MMHCIZZUZDIYFW-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@H]1CCCN(Cc2nc(C)cs2)CC1 ZINC000363682869 384690207 /nfs/dbraw/zinc/69/02/07/384690207.db2.gz BDAHZMDJGBHKHI-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN C[N@@H+](Cc1ccoc1)Cc1cc(C(=O)[O-])co1 ZINC000051330547 384704144 /nfs/dbraw/zinc/70/41/44/384704144.db2.gz RYGQUOFPFIWFEZ-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@H+](Cc1ccoc1)Cc1cc(C(=O)[O-])co1 ZINC000051330547 384704154 /nfs/dbraw/zinc/70/41/54/384704154.db2.gz RYGQUOFPFIWFEZ-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN Cc1nc(CN[C@@H]2CCOC2(C)C)sc1C ZINC000335919857 384707470 /nfs/dbraw/zinc/70/74/70/384707470.db2.gz OHRLHOVOYSBPNU-SNVBAGLBSA-N 0 1 240.372 2.417 20 0 BEADMN CC1(C)OCC[C@H]1NCc1ncc(Cl)s1 ZINC000335920121 384711324 /nfs/dbraw/zinc/71/13/24/384711324.db2.gz VVFOFBSDKDPBNI-SSDOTTSWSA-N 0 1 246.763 2.454 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nccs2)C1(C)C ZINC000082784207 384715849 /nfs/dbraw/zinc/71/58/49/384715849.db2.gz FHKLLPBEEGHMDR-ZJUUUORDSA-N 0 1 240.372 2.436 20 0 BEADMN COCc1ccccc1CNC(=O)C(F)(F)F ZINC000112021113 384773608 /nfs/dbraw/zinc/77/36/08/384773608.db2.gz RKULKVSAQWKLTR-UHFFFAOYSA-N 0 1 247.216 2.012 20 0 BEADMN CCONC(=O)[C@H](C)c1c(F)cccc1F ZINC000126156838 384776909 /nfs/dbraw/zinc/77/69/09/384776909.db2.gz LVNZJQZRDZUUNK-SSDOTTSWSA-N 0 1 229.226 2.136 20 0 BEADMN Cc1ccc(CN(C)Cc2cnn(C)c2)s1 ZINC000102773020 384729077 /nfs/dbraw/zinc/72/90/77/384729077.db2.gz VJZGZPCGZOVMIZ-UHFFFAOYSA-N 0 1 235.356 2.422 20 0 BEADMN CCCc1ncc(CN[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000449614024 384730320 /nfs/dbraw/zinc/73/03/20/384730320.db2.gz UGAVDSADTBHZEK-JBLDHEPKSA-N 0 1 238.331 2.283 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@H]2CCC[C@H]21 ZINC000335948084 384732184 /nfs/dbraw/zinc/73/21/84/384732184.db2.gz YRCYCTCKNXLFKQ-VXGBXAGGSA-N 0 1 232.327 2.082 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092940466 384751733 /nfs/dbraw/zinc/75/17/33/384751733.db2.gz JKWUIBGCSCDXHC-WCQYABFASA-N 0 1 233.311 2.290 20 0 BEADMN C[C@@](N)(C(=O)N1CCCCCC1)c1ccccc1 ZINC000052880992 384753017 /nfs/dbraw/zinc/75/30/17/384753017.db2.gz DMOMUJJZOURACB-HNNXBMFYSA-N 0 1 246.354 2.263 20 0 BEADMN CCCCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000052881077 384754399 /nfs/dbraw/zinc/75/43/99/384754399.db2.gz IUPVALBHUZTPRZ-CQSZACIVSA-N 0 1 234.343 2.167 20 0 BEADMN c1coc(CNCc2ccc3[nH]cnc3c2)c1 ZINC000061668501 384755844 /nfs/dbraw/zinc/75/58/44/384755844.db2.gz PFGNZYAKBDGCBG-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN c1coc(CNCc2ccc3nc[nH]c3c2)c1 ZINC000061668501 384755855 /nfs/dbraw/zinc/75/58/55/384755855.db2.gz PFGNZYAKBDGCBG-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN CC[C@@H](CCO)CNc1cc(C)ccn1 ZINC000087371007 384780015 /nfs/dbraw/zinc/78/00/15/384780015.db2.gz BNEADUKJWCKCJP-NSHDSACASA-N 0 1 208.305 2.211 20 0 BEADMN CCCCC[N@H+](CC(=O)[O-])CC(C)C ZINC000062743300 384759886 /nfs/dbraw/zinc/75/98/86/384759886.db2.gz YELYWGCHNKWDIN-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCNC(=O)C(C)(C)NCc1ccsc1C ZINC000312853782 384759916 /nfs/dbraw/zinc/75/99/16/384759916.db2.gz GCHMZHQUIUQPCZ-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)n[nH]1 ZINC000174251489 384769706 /nfs/dbraw/zinc/76/97/06/384769706.db2.gz XXNZZUUPVILVKA-AOOOYVTPSA-N 0 1 247.342 2.261 20 0 BEADMN CN(CCCO)Cc1ccccc1Cl ZINC000042213366 384770950 /nfs/dbraw/zinc/77/09/50/384770950.db2.gz JBRAJHAJXIRONN-UHFFFAOYSA-N 0 1 213.708 2.154 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(Cl)nc1 ZINC000104233660 384815659 /nfs/dbraw/zinc/81/56/59/384815659.db2.gz KZYYMIYYACWFAO-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN CCc1nsc(NCCCC(C)(F)F)n1 ZINC000390029552 384825814 /nfs/dbraw/zinc/82/58/14/384825814.db2.gz YMISXTDGWGFVIS-UHFFFAOYSA-N 0 1 235.303 2.370 20 0 BEADMN CC[C@@H](NCC(=O)N(C)CC)c1ccsc1 ZINC000294406004 384825949 /nfs/dbraw/zinc/82/59/49/384825949.db2.gz MEERZFSYMPXNQR-LLVKDONJSA-N 0 1 240.372 2.267 20 0 BEADMN Cc1nc(C)c(CCNCc2ccon2)s1 ZINC000634960764 384827052 /nfs/dbraw/zinc/82/70/52/384827052.db2.gz BXNOVTJXIXTAOK-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CCc1ccccc1 ZINC000186339752 384834684 /nfs/dbraw/zinc/83/46/84/384834684.db2.gz FNFOTEXJLAUETK-HNNXBMFYSA-N 0 1 247.338 2.257 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@@H]2C[C@H](C)n3ccnc32)O1 ZINC000398185408 384834495 /nfs/dbraw/zinc/83/44/95/384834495.db2.gz UYQITXOZMKXYRV-IRCOFANPSA-N 0 1 235.331 2.046 20 0 BEADMN CCC[C@](C)(O)CNCc1ncc(CC)s1 ZINC000310027274 384793810 /nfs/dbraw/zinc/79/38/10/384793810.db2.gz PXYVKSMBZWRQHO-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN CC[C@@H](NC1CC(F)(F)C1)c1ccn(C)n1 ZINC000310033749 384798962 /nfs/dbraw/zinc/79/89/62/384798962.db2.gz SDQJRMXEGXLFFS-SECBINFHSA-N 0 1 229.274 2.259 20 0 BEADMN Cc1cc(C)nc(NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000126427316 384799179 /nfs/dbraw/zinc/79/91/79/384799179.db2.gz DQBXBYJCZXPJOM-ZDUSSCGKSA-N 0 1 249.358 2.223 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647367976 384805196 /nfs/dbraw/zinc/80/51/96/384805196.db2.gz HQNPNIHGTGQZPH-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647367974 384806174 /nfs/dbraw/zinc/80/61/74/384806174.db2.gz HQNPNIHGTGQZPH-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN COC1([C@@H](C)NCc2cocn2)CCCC1 ZINC000643347405 384837048 /nfs/dbraw/zinc/83/70/48/384837048.db2.gz JARQWVMHEIZHSP-SNVBAGLBSA-N 0 1 224.304 2.112 20 0 BEADMN C[C@@H](N[C@H]1CCCOC1)c1cc2n(n1)CCCC2 ZINC000647288918 384808099 /nfs/dbraw/zinc/80/80/99/384808099.db2.gz UXOGHONMZJULTH-NEPJUHHUSA-N 0 1 249.358 2.049 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)o1 ZINC000053883203 384809702 /nfs/dbraw/zinc/80/97/02/384809702.db2.gz UPKYTFKFCHVUGX-AAEUAGOBSA-N 0 1 223.316 2.181 20 0 BEADMN CC[C@H](F)CN[C@@H](CO)c1cccc(F)c1 ZINC000310039917 384810969 /nfs/dbraw/zinc/81/09/69/384810969.db2.gz XKSYIHMDTCIXQQ-JQWIXIFHSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@H]1C[C@H](NCCOC(F)(F)F)c2nccn21 ZINC000398256579 384870129 /nfs/dbraw/zinc/87/01/29/384870129.db2.gz QPWCEZMDIAYUBK-YUMQZZPRSA-N 0 1 249.236 2.015 20 0 BEADMN CC1CCC(COCCc2c[nH]nn2)CC1 ZINC000565706877 384875637 /nfs/dbraw/zinc/87/56/37/384875637.db2.gz AYXOAGRZHYDYQH-UHFFFAOYSA-N 0 1 223.320 2.190 20 0 BEADMN CC1(C)CCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000531086766 384880116 /nfs/dbraw/zinc/88/01/16/384880116.db2.gz VRVQTTFBBMICEP-UHFFFAOYSA-N 0 1 245.282 2.294 20 0 BEADMN Cc1ccccc1C[N@H+](C)CC1(CO)CC1 ZINC000186770847 384880926 /nfs/dbraw/zinc/88/09/26/384880926.db2.gz ZJKPBHTVHCLMFT-UHFFFAOYSA-N 0 1 219.328 2.199 20 0 BEADMN COc1cccc([C@H](C)N(C)Cc2nnc[nH]2)c1 ZINC000177132318 384881166 /nfs/dbraw/zinc/88/11/66/384881166.db2.gz UVUIXQDCTDUGSG-JTQLQIEISA-N 0 1 246.314 2.006 20 0 BEADMN C[C@]1(C(=O)N2CCN3CCC2CC3)CC=CCC1 ZINC000336258862 384882848 /nfs/dbraw/zinc/88/28/48/384882848.db2.gz ZRSPSUQHRGAJKB-HNNXBMFYSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)c1nnc(CNC[C@H]2C[C@@H]2C)s1 ZINC000336755941 384842291 /nfs/dbraw/zinc/84/22/91/384842291.db2.gz JCAXPUKDJSUJIF-DTWKUNHWSA-N 0 1 225.361 2.407 20 0 BEADMN Cc1nc(C)c(CNCc2ccncc2)s1 ZINC000084148922 384843593 /nfs/dbraw/zinc/84/35/93/384843593.db2.gz PGPHZFVESUVDOO-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nc(C)cs1 ZINC000301037925 384849948 /nfs/dbraw/zinc/84/99/48/384849948.db2.gz XWHDRZMMYYLLGV-SECBINFHSA-N 0 1 228.361 2.355 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NCc1cncs1 ZINC000054770967 384854087 /nfs/dbraw/zinc/85/40/87/384854087.db2.gz SOHXWRYWIJXYOF-LLVKDONJSA-N 0 1 248.355 2.044 20 0 BEADMN CN(Cc1nccs1)CC1CCOCC1 ZINC000175057908 384863177 /nfs/dbraw/zinc/86/31/77/384863177.db2.gz DKSLLPDPIHNXQN-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN CC(C)C1(CNC(=O)[C@H](N)c2ccccc2)CC1 ZINC000225520849 384867746 /nfs/dbraw/zinc/86/77/46/384867746.db2.gz ZCWYEGYRJGCHGD-CYBMUJFWSA-N 0 1 246.354 2.239 20 0 BEADMN COc1ccc(C)cc1C[N@@H+](C)CC1(CO)CC1 ZINC000258928541 384951979 /nfs/dbraw/zinc/95/19/79/384951979.db2.gz OFKUKLLXUGFMHD-UHFFFAOYSA-N 0 1 249.354 2.208 20 0 BEADMN C[N@@H+](CCO)CCc1ccc(C(C)(C)C)cc1 ZINC000258921916 384952205 /nfs/dbraw/zinc/95/22/05/384952205.db2.gz GGYRKQQSOGVCRE-UHFFFAOYSA-N 0 1 235.371 2.451 20 0 BEADMN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccco1 ZINC000127476378 384901025 /nfs/dbraw/zinc/90/10/25/384901025.db2.gz ZXRUFNLIEAYNCP-QLJPJBMISA-N 0 1 243.372 2.477 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000049818484 384901696 /nfs/dbraw/zinc/90/16/96/384901696.db2.gz JYHRAGGCUGNDFG-QWRGUYRKSA-N 0 1 221.300 2.400 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCc1ccccc1F ZINC000049829705 384901788 /nfs/dbraw/zinc/90/17/88/384901788.db2.gz KRGFIBKVVSNDTI-JTQLQIEISA-N 0 1 239.290 2.163 20 0 BEADMN Cc1nnc(NC(=O)C=CC2CCCCC2)[nH]1 ZINC000255637226 384905420 /nfs/dbraw/zinc/90/54/20/384905420.db2.gz IQFWBJUKGLQJTH-FPLPWBNLSA-N 0 1 234.303 2.188 20 0 BEADMN Cc1n[nH]c(NC(=O)C=CC2CCCCC2)n1 ZINC000255637226 384905425 /nfs/dbraw/zinc/90/54/25/384905425.db2.gz IQFWBJUKGLQJTH-FPLPWBNLSA-N 0 1 234.303 2.188 20 0 BEADMN C[C@@H](N(C)CC(=O)Nc1ccncc1)C1(C)CC1 ZINC000177217056 384914304 /nfs/dbraw/zinc/91/43/04/384914304.db2.gz XRJYOQLVIMTRAH-LLVKDONJSA-N 0 1 247.342 2.141 20 0 BEADMN CCC[C@@](C)(O)CN[C@@H](C)c1cscn1 ZINC000127851701 384915575 /nfs/dbraw/zinc/91/55/75/384915575.db2.gz WNQKQDAQJMNKKD-GXSJLCMTSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H]1C[C@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000449474264 384915875 /nfs/dbraw/zinc/91/58/75/384915875.db2.gz UJUKZGFTTYUOIO-YUMQZZPRSA-N 0 1 245.248 2.241 20 0 BEADMN Clc1cccc2c1OC[C@H]2N[C@H]1CCOC1 ZINC000369438480 384959537 /nfs/dbraw/zinc/95/95/37/384959537.db2.gz FJUDYCGSDBQTSK-GZMMTYOYSA-N 0 1 239.702 2.152 20 0 BEADMN Cn1ncc(Cl)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC000187305836 384932883 /nfs/dbraw/zinc/93/28/83/384932883.db2.gz XJLCAKCYBZSZPZ-NXEZZACHSA-N 0 1 239.750 2.305 20 0 BEADMN CCCCCN(CCO)Cc1cncs1 ZINC000128102181 384935840 /nfs/dbraw/zinc/93/58/40/384935840.db2.gz QDTSWDWTOCREGE-UHFFFAOYSA-N 0 1 228.361 2.128 20 0 BEADMN Cc1nc(CNC[C@H](O)CCC(C)C)cs1 ZINC000644525002 384937143 /nfs/dbraw/zinc/93/71/43/384937143.db2.gz VOCFEQBUQMEBLH-GFCCVEGCSA-N 0 1 242.388 2.338 20 0 BEADMN CCOc1ccccc1CN(C)[C@@H]1CCOC1 ZINC000106884895 384939760 /nfs/dbraw/zinc/93/97/60/384939760.db2.gz HHBMIPUBOHTNRU-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN CCc1ccc([C@@H](C)N[C@H](C)Cn2cncn2)o1 ZINC000164229169 384941694 /nfs/dbraw/zinc/94/16/94/384941694.db2.gz KDVKEFMUUNEKJW-GHMZBOCLSA-N 0 1 248.330 2.173 20 0 BEADMN CCc1ncc(CNC(=O)C=C2CCCCC2)[nH]1 ZINC001645212113 1172643091 /nfs/dbraw/zinc/64/30/91/1172643091.db2.gz DJQCFPDNFRJCQS-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1CC12CC2 ZINC000424329377 384942446 /nfs/dbraw/zinc/94/24/46/384942446.db2.gz RNHPCLJDYVVKPP-ZJUUUORDSA-N 0 1 205.305 2.106 20 0 BEADMN C[C@H]1CN(C(=O)CC2CCCCCC2)CCN1 ZINC000156717893 384942563 /nfs/dbraw/zinc/94/25/63/384942563.db2.gz PGZARTXQVQGMCX-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ccc([C@H](C)N[C@H](C)Cn2cncn2)o1 ZINC000164229267 384943913 /nfs/dbraw/zinc/94/39/13/384943913.db2.gz KDVKEFMUUNEKJW-MNOVXSKESA-N 0 1 248.330 2.173 20 0 BEADMN CC(C)CC[C@@H](O)CNCc1cscn1 ZINC000644532767 384947149 /nfs/dbraw/zinc/94/71/49/384947149.db2.gz NKIKVPXPOPFABM-LLVKDONJSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCOC[C@H]2C)o1 ZINC000300829229 384965709 /nfs/dbraw/zinc/96/57/09/384965709.db2.gz HIFHWFAVJWLZRY-MIMYLULJSA-N 0 1 224.304 2.059 20 0 BEADMN C[C@H]([C@H](C)O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000291874618 385021104 /nfs/dbraw/zinc/02/11/04/385021104.db2.gz HSEQPYKADRBCAM-NTZNESFSSA-N 0 1 234.343 2.234 20 0 BEADMN CCN(C)[C@H](C(=O)NCC1CC1)c1ccccc1 ZINC000057827237 384965855 /nfs/dbraw/zinc/96/58/55/384965855.db2.gz XHJMBYMAVOWCBT-AWEZNQCLSA-N 0 1 246.354 2.206 20 0 BEADMN C[C@@H](CCC(=O)N1CCNCC1)c1ccccc1 ZINC000107610859 384966467 /nfs/dbraw/zinc/96/64/67/384966467.db2.gz ZPUOSAMVVKDBJY-ZDUSSCGKSA-N 0 1 246.354 2.002 20 0 BEADMN C[C@H](CCC(=O)N1CCNCC1)c1ccccc1 ZINC000107610862 384967144 /nfs/dbraw/zinc/96/71/44/384967144.db2.gz ZPUOSAMVVKDBJY-CYBMUJFWSA-N 0 1 246.354 2.002 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2cnccc2N)CC1 ZINC000127938676 384968430 /nfs/dbraw/zinc/96/84/30/384968430.db2.gz BEIKYEBCQUBLML-NSHDSACASA-N 0 1 247.342 2.316 20 0 BEADMN CCN(CCO)Cc1cnc(C(C)(C)C)s1 ZINC000127967900 384971579 /nfs/dbraw/zinc/97/15/79/384971579.db2.gz DEPPLORAYVPWRD-UHFFFAOYSA-N 0 1 242.388 2.255 20 0 BEADMN CN(Cc1ccns1)C[C@@H]1CCCC[C@@H]1O ZINC000404372637 384973356 /nfs/dbraw/zinc/97/33/56/384973356.db2.gz CLBULIFVHVZZFZ-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN CCN(CCC1CC1)CC(=O)OC(C)(C)C ZINC000312972742 384974505 /nfs/dbraw/zinc/97/45/05/384974505.db2.gz ANZKDSOMJQTUQH-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc(CN2CCC[C@@H](O)C2)cc1F ZINC000127999903 384978441 /nfs/dbraw/zinc/97/84/41/384978441.db2.gz BTCLLKJADYXOCK-GFCCVEGCSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1ccc(CNc2ccc3c(n2)CCC3)nc1 ZINC000336218734 384980452 /nfs/dbraw/zinc/98/04/52/384980452.db2.gz RLLHRVQFELAOIX-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN Cc1ccsc1CN(C)[C@H](C)C[S@](C)=O ZINC000187833385 384988082 /nfs/dbraw/zinc/98/80/82/384988082.db2.gz VSRAAYYTQDHIBV-BMIGLBTASA-N 0 1 245.413 2.255 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCC[C@@H]2O)sn1 ZINC000404426141 384993379 /nfs/dbraw/zinc/99/33/79/384993379.db2.gz ZCFHWTABLXFWAM-PWSUYJOCSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(C[N@@H+](CCO)C2CC2)ccc1F ZINC000128120791 384995650 /nfs/dbraw/zinc/99/56/50/384995650.db2.gz WPWMKYCFIXQEMH-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN COCc1cnc(CNCC[C@@H](C)F)s1 ZINC000339482810 384998776 /nfs/dbraw/zinc/99/87/76/384998776.db2.gz GKZBAGIRUJMCFM-MRVPVSSYSA-N 0 1 232.324 2.127 20 0 BEADMN COCc1cnc(CNCC[C@H](C)F)s1 ZINC000339482814 384999678 /nfs/dbraw/zinc/99/96/78/384999678.db2.gz GKZBAGIRUJMCFM-QMMMGPOBSA-N 0 1 232.324 2.127 20 0 BEADMN CCc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000086789554 385048335 /nfs/dbraw/zinc/04/83/35/385048335.db2.gz VNVNTSKCBZUNFR-CYBMUJFWSA-N 0 1 233.311 2.156 20 0 BEADMN COc1cc(CN[C@@H](C)c2cncs2)ccn1 ZINC000128879849 385083636 /nfs/dbraw/zinc/08/36/36/385083636.db2.gz PVHFKTIANOPZTI-VIFPVBQESA-N 0 1 249.339 2.398 20 0 BEADMN C[C@@H]1CC[C@H](C[N@H+]2CCn3cccc3[C@@H]2C)O1 ZINC000188567698 385068486 /nfs/dbraw/zinc/06/84/86/385068486.db2.gz YYDOEYHLVLVFOL-FRRDWIJNSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCn3cccc3[C@@H]2C)O1 ZINC000188567698 385068492 /nfs/dbraw/zinc/06/84/92/385068492.db2.gz YYDOEYHLVLVFOL-FRRDWIJNSA-N 0 1 234.343 2.432 20 0 BEADMN CCc1ncc(CNC[C@@H](O)CCC(C)C)o1 ZINC000644663090 385072691 /nfs/dbraw/zinc/07/26/91/385072691.db2.gz AWGVLMMZKNALOF-NSHDSACASA-N 0 1 240.347 2.124 20 0 BEADMN c1nnsc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000334151516 385075838 /nfs/dbraw/zinc/07/58/38/385075838.db2.gz KVUQSCDKWIPXNK-GXSJLCMTSA-N 0 1 223.345 2.303 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cscn1)C1CC1 ZINC000131238266 385078255 /nfs/dbraw/zinc/07/82/55/385078255.db2.gz GBPGCCGIQSBIMZ-WCBMZHEXSA-N 0 1 226.345 2.219 20 0 BEADMN CCc1nc(C)c(CN[C@H]2COCC2(C)C)o1 ZINC000312997645 385081605 /nfs/dbraw/zinc/08/16/05/385081605.db2.gz LPCYMJGTSINYKB-NSHDSACASA-N 0 1 238.331 2.060 20 0 BEADMN Cc1ncc(CNC[C@H](O)C2CCCCC2)o1 ZINC000644668020 385081815 /nfs/dbraw/zinc/08/18/15/385081815.db2.gz VSBCXMWCNYCRCX-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN CC[N@@H+](CC(C)C)CN1CC(C)(C)OC1=O ZINC000497140521 385028814 /nfs/dbraw/zinc/02/88/14/385028814.db2.gz CJKPOAGUUDSLNY-UHFFFAOYSA-N 0 1 228.336 2.153 20 0 BEADMN CCN(CC(C)C)CN1CC(C)(C)OC1=O ZINC000497140521 385028823 /nfs/dbraw/zinc/02/88/23/385028823.db2.gz CJKPOAGUUDSLNY-UHFFFAOYSA-N 0 1 228.336 2.153 20 0 BEADMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccncc1 ZINC000358376608 385034985 /nfs/dbraw/zinc/03/49/85/385034985.db2.gz RYOAXCVDRPSFHI-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccncc1 ZINC000358376611 385036219 /nfs/dbraw/zinc/03/62/19/385036219.db2.gz RYOAXCVDRPSFHI-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1cscn1 ZINC000647243807 385046447 /nfs/dbraw/zinc/04/64/47/385046447.db2.gz PDHXTWRZDGERBS-ZJUUUORDSA-N 0 1 228.361 2.030 20 0 BEADMN CCC1(CNC(=O)Cc2cc(C)n[nH]2)CCCC1 ZINC000129113748 385110364 /nfs/dbraw/zinc/11/03/64/385110364.db2.gz GJYKXKCWFZKISC-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN C[C@H](NCc1ccnn1C)c1ccsc1 ZINC000061361389 385112771 /nfs/dbraw/zinc/11/27/71/385112771.db2.gz TULUOWYOJONWBA-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cn1cc(Cl)c(CNC2CCCC2)n1 ZINC000306594553 385115993 /nfs/dbraw/zinc/11/59/93/385115993.db2.gz DOOBZDOGFWMCSZ-UHFFFAOYSA-N 0 1 213.712 2.106 20 0 BEADMN CC[C@H](Sc1nc2ccc(C)cc2[nH]1)C(N)=O ZINC000061680163 385131316 /nfs/dbraw/zinc/13/13/16/385131316.db2.gz VNFGZBWDKWHXDQ-JTQLQIEISA-N 0 1 249.339 2.227 20 0 BEADMN Cc1cnc([C@@H](C)N2CCCOC(C)(C)C2)cn1 ZINC000644668587 385086879 /nfs/dbraw/zinc/08/68/79/385086879.db2.gz BFXLSTVZWMWWLR-GFCCVEGCSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1cscc1NC(=O)CN(C)C(C)C ZINC000151229309 385093419 /nfs/dbraw/zinc/09/34/19/385093419.db2.gz WRXJDPZGEWVROE-UHFFFAOYSA-N 0 1 226.345 2.335 20 0 BEADMN CC[C@H](NCc1cn[nH]n1)c1ccc(C)cc1 ZINC000398340516 385098633 /nfs/dbraw/zinc/09/86/33/385098633.db2.gz DBGBEXDHHPBAEG-ZDUSSCGKSA-N 0 1 230.315 2.354 20 0 BEADMN Cc1cc(CC(=O)Nc2cscc2C)n[nH]1 ZINC000151285988 385100242 /nfs/dbraw/zinc/10/02/42/385100242.db2.gz SXNCAOZENPKVCD-UHFFFAOYSA-N 0 1 235.312 2.269 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CC23CC3)n1 ZINC000422554993 385102980 /nfs/dbraw/zinc/10/29/80/385102980.db2.gz ZCXWOMTUCLCAGN-IUCAKERBSA-N 0 1 221.304 2.383 20 0 BEADMN CCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000176722911 385141328 /nfs/dbraw/zinc/14/13/28/385141328.db2.gz CKJQSQHRSXAFFO-UHFFFAOYSA-N 0 1 218.260 2.087 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC1(CC)CC1 ZINC000178155779 385190954 /nfs/dbraw/zinc/19/09/54/385190954.db2.gz MHUFYAHENJXLLX-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cncc(CN2CCCO[C@@H](C)C2)c1 ZINC000189864391 385192133 /nfs/dbraw/zinc/19/21/33/385192133.db2.gz VMDQUFZIOWBXOP-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)n1nccc1CNCc1cccnc1 ZINC000279785514 385202295 /nfs/dbraw/zinc/20/22/95/385202295.db2.gz CIQOMMBCUXEJRV-UHFFFAOYSA-N 0 1 230.315 2.149 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@@H]2C(C)C)n1 ZINC000424304766 385144110 /nfs/dbraw/zinc/14/41/10/385144110.db2.gz BVWDGZMIUWMUDS-MNOVXSKESA-N 0 1 235.331 2.009 20 0 BEADMN C[C@H](N[C@H]1C=CCCCCC1)c1nncn1C ZINC000294727767 385147698 /nfs/dbraw/zinc/14/76/98/385147698.db2.gz WCLLHBWNCHKOMI-RYUDHWBXSA-N 0 1 234.347 2.355 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C)CC2)n1 ZINC000176828848 385151072 /nfs/dbraw/zinc/15/10/72/385151072.db2.gz LYXMTTDREWEWNH-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H](C)CC2)n1 ZINC000176828848 385151077 /nfs/dbraw/zinc/15/10/77/385151077.db2.gz LYXMTTDREWEWNH-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC[C@@H](C)CC2)n1 ZINC000176828848 385151093 /nfs/dbraw/zinc/15/10/93/385151093.db2.gz LYXMTTDREWEWNH-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN COC[C@@H]1CN(Cc2ccc(C)cc2)C[C@@H](C)O1 ZINC000189436586 385152970 /nfs/dbraw/zinc/15/29/70/385152970.db2.gz HAPDKHZMKXAXMW-HIFRSBDPSA-N 0 1 249.354 2.231 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CC23CC3)c(F)cn1 ZINC000424318775 385161441 /nfs/dbraw/zinc/16/14/41/385161441.db2.gz HQJGHWQNIFYDKP-GZMMTYOYSA-N 0 1 236.290 2.432 20 0 BEADMN c1ncc(C[N@H+](C[C@H]2CCOC2)C2CC2)s1 ZINC000129922179 385200666 /nfs/dbraw/zinc/20/06/66/385200666.db2.gz QJQAVOSQVSNVPD-SNVBAGLBSA-N 0 1 238.356 2.144 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000129938709 385200804 /nfs/dbraw/zinc/20/08/04/385200804.db2.gz VITUTWVEIQHWFL-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)n[nH]1 ZINC000176985877 385163853 /nfs/dbraw/zinc/16/38/53/385163853.db2.gz FYHUHTOUGMZMNH-ZJUUUORDSA-N 0 1 235.331 2.404 20 0 BEADMN C[C@H](NCCOCC1CC1)c1ccco1 ZINC000053585337 385164060 /nfs/dbraw/zinc/16/40/60/385164060.db2.gz WAVZGGBKNFRYQO-JTQLQIEISA-N 0 1 209.289 2.357 20 0 BEADMN Cc1ccnc(NC[C@H]2CCCOC2)c1 ZINC000043561547 385167649 /nfs/dbraw/zinc/16/76/49/385167649.db2.gz BFMFCRVQAHHVEO-LLVKDONJSA-N 0 1 206.289 2.229 20 0 BEADMN C[C@@H]1[C@@H](c2ccccc2)CCN1[C@@H]1CCOC1=O ZINC000177535865 385255985 /nfs/dbraw/zinc/25/59/85/385255985.db2.gz UTNCXEZIOWVBIZ-KWCYVHTRSA-N 0 1 245.322 2.180 20 0 BEADMN c1snnc1CNC1CCC2(CC2)CC1 ZINC000308841433 385213493 /nfs/dbraw/zinc/21/34/93/385213493.db2.gz KFZUREPJYZDXPG-UHFFFAOYSA-N 0 1 223.345 2.351 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC000648329682 385215175 /nfs/dbraw/zinc/21/51/75/385215175.db2.gz BPRONVIXCNJOJR-JFGNBEQYSA-N 0 1 249.358 2.407 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)n[nH]1 ZINC000152839254 385215444 /nfs/dbraw/zinc/21/54/44/385215444.db2.gz SOWDFFPWSLNFTH-GHMZBOCLSA-N 0 1 247.342 2.405 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177291632 385216365 /nfs/dbraw/zinc/21/63/65/385216365.db2.gz PWDZTLFDAHKTGD-LLVKDONJSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CSC[C@H]2C)o1 ZINC000308862778 385230101 /nfs/dbraw/zinc/23/01/01/385230101.db2.gz PTHLBJQWMCIDMH-JEZHCXPESA-N 0 1 226.345 2.385 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CSC[C@H]2C)o1 ZINC000308862774 385232091 /nfs/dbraw/zinc/23/20/91/385232091.db2.gz PTHLBJQWMCIDMH-FKTZTGRPSA-N 0 1 226.345 2.385 20 0 BEADMN FC1(F)CC[C@H](CNCc2csnn2)C1 ZINC000308891864 385245178 /nfs/dbraw/zinc/24/51/78/385245178.db2.gz XGEHWUQIAKIZQP-ZETCQYMHSA-N 0 1 233.287 2.063 20 0 BEADMN Cc1cnn(C)c1CNc1ccc2c(n1)CCC2 ZINC000294839454 385249421 /nfs/dbraw/zinc/24/94/21/385249421.db2.gz MHZUSSHQRKGURL-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN C[C@@H]1[C@H](c2ccccc2)CCN1[C@@H]1CCOC1=O ZINC000177535842 385255915 /nfs/dbraw/zinc/25/59/15/385255915.db2.gz UTNCXEZIOWVBIZ-MRVWCRGKSA-N 0 1 245.322 2.180 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000157519374 385204157 /nfs/dbraw/zinc/20/41/57/385204157.db2.gz JAUAYAINOCPZMS-UWVGGRQHSA-N 0 1 243.310 2.481 20 0 BEADMN NC1(c2noc([C@H]3CC34CC4)n2)CCCCC1 ZINC000643943117 385305227 /nfs/dbraw/zinc/30/52/27/385305227.db2.gz UUHYBYRMFIDSBZ-SECBINFHSA-N 0 1 233.315 2.455 20 0 BEADMN C[C@@]1(O)CCN(Cc2nc3ccccc3s2)C1 ZINC000178001076 385318913 /nfs/dbraw/zinc/31/89/13/385318913.db2.gz OHLOWHVPTOQIJZ-CYBMUJFWSA-N 0 1 248.351 2.253 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000177669401 385272230 /nfs/dbraw/zinc/27/22/30/385272230.db2.gz KDZIMEWUHYWBAL-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN NC1(c2noc([C@@H]3CC34CCC4)n2)CCC1 ZINC000647140968 385276939 /nfs/dbraw/zinc/27/69/39/385276939.db2.gz OGLDEYWBNGEBRW-QMMMGPOBSA-N 0 1 219.288 2.065 20 0 BEADMN C[C@H](c1ccco1)c1nc(C2(N)CCC2)no1 ZINC000647140993 385280694 /nfs/dbraw/zinc/28/06/94/385280694.db2.gz ZACRKXGVHIKQFI-MRVPVSSYSA-N 0 1 233.271 2.152 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1ncc[nH]1 ZINC000308906748 385281831 /nfs/dbraw/zinc/28/18/31/385281831.db2.gz CSEBLISNQDYEHO-SSDOTTSWSA-N 0 1 221.226 2.230 20 0 BEADMN COC(=O)[C@]1(C)CCCN1Cc1ccccc1 ZINC000034483175 385282413 /nfs/dbraw/zinc/28/24/13/385282413.db2.gz HBBZMEYAYAZNCY-AWEZNQCLSA-N 0 1 233.311 2.214 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1ncc[nH]1 ZINC000308906749 385282469 /nfs/dbraw/zinc/28/24/69/385282469.db2.gz CSEBLISNQDYEHO-ZETCQYMHSA-N 0 1 221.226 2.230 20 0 BEADMN CC1(C(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC000153865829 385288612 /nfs/dbraw/zinc/28/86/12/385288612.db2.gz PSKDIGMFJCBWQA-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN Cc1csc(CN2[C@H](C)CC(O)C[C@H]2C)n1 ZINC000191187945 385289363 /nfs/dbraw/zinc/28/93/63/385289363.db2.gz JNPAMMAWWMNGAN-NXEZZACHSA-N 0 1 240.372 2.185 20 0 BEADMN Cc1csc(CN2[C@@H](C)CC(O)C[C@@H]2C)n1 ZINC000191187927 385289988 /nfs/dbraw/zinc/28/99/88/385289988.db2.gz JNPAMMAWWMNGAN-UWVGGRQHSA-N 0 1 240.372 2.185 20 0 BEADMN CCc1nnc(CN(CC)[C@@H](C)C(C)C)[nH]1 ZINC000157860179 385293453 /nfs/dbraw/zinc/29/34/53/385293453.db2.gz CEFJDYYBBHMDCW-JTQLQIEISA-N 0 1 224.352 2.234 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@H]2CC2(C)C)cc1 ZINC000228087087 385335645 /nfs/dbraw/zinc/33/56/45/385335645.db2.gz YZTCYPTTWZQPAZ-CHWSQXEVSA-N 0 1 246.354 2.157 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2CC(C)C)[nH]1 ZINC000158075495 385340224 /nfs/dbraw/zinc/34/02/24/385340224.db2.gz LHGWCVAVCDCOJJ-NSHDSACASA-N 0 1 236.363 2.378 20 0 BEADMN CSC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000294169844 385352210 /nfs/dbraw/zinc/35/22/10/385352210.db2.gz RHWJIFXFMPTKHX-GUBZILKMSA-N 0 1 225.361 2.230 20 0 BEADMN C[C@H](C[C@H](O)c1ccccc1)NCc1cocn1 ZINC000192338917 385352282 /nfs/dbraw/zinc/35/22/82/385352282.db2.gz WELJJAOLOWULTA-RISCZKNCSA-N 0 1 246.310 2.276 20 0 BEADMN COC(=O)CN(C)CC1CCC(C)(C)CC1 ZINC000179394983 385374713 /nfs/dbraw/zinc/37/47/13/385374713.db2.gz GQDHTTLDHLXUMM-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)n1nccc1CN[C@H](C)c1cnn(C)c1 ZINC000280884853 385379501 /nfs/dbraw/zinc/37/95/01/385379501.db2.gz NMDWOXHBCOXBNN-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN CC(C)CCC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000165507040 385395809 /nfs/dbraw/zinc/39/58/09/385395809.db2.gz FXLRGHYRQQXIGL-SNVBAGLBSA-N 0 1 201.310 2.075 20 0 BEADMN Cc1c([C@@H](C)NCCF)cnn1C(C)C ZINC000281135424 385400503 /nfs/dbraw/zinc/40/05/03/385400503.db2.gz UCLNWTWBSMDSFB-SECBINFHSA-N 0 1 213.300 2.393 20 0 BEADMN c1nc2c(ncnc2N[C@H]2CC23CCCCC3)[nH]1 ZINC000181266783 385406473 /nfs/dbraw/zinc/40/64/73/385406473.db2.gz HMUDRNJVUPEZGF-VIFPVBQESA-N 0 1 243.314 2.488 20 0 BEADMN CC/C=C(/C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000155801605 385412886 /nfs/dbraw/zinc/41/28/86/385412886.db2.gz GNXHDEOTCZLUAZ-MBACFSSFSA-N 0 1 235.331 2.122 20 0 BEADMN Cc1cnc(CN[C@@]2(C)CCO[C@@H]2C)s1 ZINC000335608468 385438871 /nfs/dbraw/zinc/43/88/71/385438871.db2.gz PBWMLILQWPIFQD-KOLCDFICSA-N 0 1 226.345 2.109 20 0 BEADMN Fc1ccc2c(c1)CN(CCn1cccn1)CC2 ZINC000179074793 385440305 /nfs/dbraw/zinc/44/03/05/385440305.db2.gz DGBKFFZFDSWWFH-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000054067815 385441684 /nfs/dbraw/zinc/44/16/84/385441684.db2.gz YTMFCHMBYGLGHC-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN CN(Cc1ccncc1)C[C@@H]1CCC=CO1 ZINC000194629080 385443582 /nfs/dbraw/zinc/44/35/82/385443582.db2.gz UYLSKHMMPSWGDM-ZDUSSCGKSA-N 0 1 218.300 2.206 20 0 BEADMN Cn1ccnc1CNCC1=CCCCC1 ZINC000295137962 385458241 /nfs/dbraw/zinc/45/82/41/385458241.db2.gz PKJYIBSLFISMLJ-UHFFFAOYSA-N 0 1 205.305 2.010 20 0 BEADMN COC[C@@H](N[C@H]1CCCOC1)c1ccc(C)o1 ZINC000156486472 385454537 /nfs/dbraw/zinc/45/45/37/385454537.db2.gz JUQRFAUICIYWQQ-NWDGAFQWSA-N 0 1 239.315 2.044 20 0 BEADMN CCN(CCC1CCCCC1)CC(=O)OC ZINC000309126886 385429912 /nfs/dbraw/zinc/42/99/12/385429912.db2.gz BBOHEYWINFGPQC-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN COC(=O)c1coc(CN2CCCCC2)c1 ZINC000171028650 385465037 /nfs/dbraw/zinc/46/50/37/385465037.db2.gz QXAVTKNIQSJADU-UHFFFAOYSA-N 0 1 223.272 2.052 20 0 BEADMN Cc1ccc2c(c1)[C@@H](NC(=O)CN(C)C)CCC2 ZINC000179403887 385465296 /nfs/dbraw/zinc/46/52/96/385465296.db2.gz JYPNTTWWCOUOBA-AWEZNQCLSA-N 0 1 246.354 2.050 20 0 BEADMN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616927881 385487916 /nfs/dbraw/zinc/48/79/16/385487916.db2.gz SFGFSYVQGIUFTD-LLVKDONJSA-N 0 1 243.310 2.172 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCc2sccc2C1 ZINC000020474625 385471145 /nfs/dbraw/zinc/47/11/45/385471145.db2.gz IZQVUZUGEOKBOL-UHFFFAOYSA-N 0 1 239.340 2.361 20 0 BEADMN CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000157070497 385484536 /nfs/dbraw/zinc/48/45/36/385484536.db2.gz HMICJUVKDPARBW-VXGBXAGGSA-N 0 1 234.343 2.338 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000257680986 385486996 /nfs/dbraw/zinc/48/69/96/385486996.db2.gz PTGHTGDDRXHNCQ-SSDOTTSWSA-N 0 1 245.731 2.308 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc2ccc(C)cn12 ZINC000179374104 385462599 /nfs/dbraw/zinc/46/25/99/385462599.db2.gz UNEBCHWDHOKYOJ-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN Cc1cnc(CNC[C@H](O)CC(C)(C)C)s1 ZINC000295215763 385498516 /nfs/dbraw/zinc/49/85/16/385498516.db2.gz QMYVNVRLTVLMOJ-SNVBAGLBSA-N 0 1 242.388 2.338 20 0 BEADMN CCn1nnc(C)c1CNCc1cccc(F)c1 ZINC000449066983 385498606 /nfs/dbraw/zinc/49/86/06/385498606.db2.gz HGKKFMPOMCQTIO-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CC(C)(C)OC[C@@H](O)CN1Cc2ccccc2C1 ZINC000106304271 385504997 /nfs/dbraw/zinc/50/49/97/385504997.db2.gz RFMNKBNAMDLRGA-AWEZNQCLSA-N 0 1 249.354 2.178 20 0 BEADMN COC[C@H](CNc1ccnc(C)c1Cl)OC ZINC000309272113 385507549 /nfs/dbraw/zinc/50/75/49/385507549.db2.gz SFFYOEPTLCFWCK-VIFPVBQESA-N 0 1 244.722 2.117 20 0 BEADMN CSCCN(C)Cc1scnc1C ZINC000171774058 385516135 /nfs/dbraw/zinc/51/61/35/385516135.db2.gz MHJPRIGZWKEUQR-UHFFFAOYSA-N 0 1 216.375 2.246 20 0 BEADMN c1ccc([C@H]2COCCN2CC2CC2)cc1 ZINC000334456405 385555386 /nfs/dbraw/zinc/55/53/86/385555386.db2.gz YZBHRXKZTSRDLR-CQSZACIVSA-N 0 1 217.312 2.470 20 0 BEADMN O=C(c1ccc(Cl)cc1O)N1CCCCO1 ZINC000180906533 385555586 /nfs/dbraw/zinc/55/55/86/385555586.db2.gz GVVBDIMHXYALNR-UHFFFAOYSA-N 0 1 241.674 2.213 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCOCC(C)C ZINC000337321756 385597009 /nfs/dbraw/zinc/59/70/09/385597009.db2.gz COFQPMWOLLAZHU-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN CCCN1C(=O)N=NC1SC1CCCC1 ZINC000408161659 385580676 /nfs/dbraw/zinc/58/06/76/385580676.db2.gz ORUPMPOFWMMXGC-UHFFFAOYSA-N 0 1 227.333 2.428 20 0 BEADMN Cc1cn[nH]c1CN1CC2CC1(C(F)(F)F)C2 ZINC000335413427 385589807 /nfs/dbraw/zinc/58/98/07/385589807.db2.gz UYOPLNSOPOCHLZ-UHFFFAOYSA-N 0 1 245.248 2.245 20 0 BEADMN COC(=O)[C@H](C)N(C)CCC(C)(C)C1CC1 ZINC000593983470 385592406 /nfs/dbraw/zinc/59/24/06/385592406.db2.gz ATLAQZBONPQSOW-JTQLQIEISA-N 0 1 227.348 2.306 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@H]1NCc1cc[nH]n1 ZINC000337306549 385593137 /nfs/dbraw/zinc/59/31/37/385593137.db2.gz RVXHQVGBGCWYJM-NXEZZACHSA-N 0 1 245.273 2.050 20 0 BEADMN CN(CCC1CC1)C(=O)c1cccc2n[nH]cc21 ZINC000269631335 385615712 /nfs/dbraw/zinc/61/57/12/385615712.db2.gz WMRUCTRHWGYDJW-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CC(C)C[C@H](N)c1noc(CC2CC2)n1 ZINC000309495622 385616875 /nfs/dbraw/zinc/61/68/75/385616875.db2.gz TWPWXRJMGVIASB-VIFPVBQESA-N 0 1 209.293 2.068 20 0 BEADMN CCc1ncc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000414512655 385625306 /nfs/dbraw/zinc/62/53/06/385625306.db2.gz NOODXYQTGNVTBW-VXGBXAGGSA-N 0 1 237.322 2.409 20 0 BEADMN CC[C@H]1CCN([C@@H](C)c2nc(COC)no2)C1 ZINC000181986839 385628142 /nfs/dbraw/zinc/62/81/42/385628142.db2.gz HFJRHGHJPJLDNW-UWVGGRQHSA-N 0 1 239.319 2.009 20 0 BEADMN CCC1CCC(N(C)Cc2nccc(N)n2)CC1 ZINC000269709104 385628975 /nfs/dbraw/zinc/62/89/75/385628975.db2.gz PALNNXGHTLFPBQ-UHFFFAOYSA-N 0 1 248.374 2.459 20 0 BEADMN Cc1nnc([C@@H](C)NCCC2CC2)s1 ZINC000336651690 385632590 /nfs/dbraw/zinc/63/25/90/385632590.db2.gz JYABSNGAUBOATE-SSDOTTSWSA-N 0 1 211.334 2.297 20 0 BEADMN CO[C@H](C)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000182120123 385635115 /nfs/dbraw/zinc/63/51/15/385635115.db2.gz GRRZFBRLZLVXKR-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN CCOC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000336677378 385608364 /nfs/dbraw/zinc/60/83/64/385608364.db2.gz BNNFVUYHOYKSHL-UWVGGRQHSA-N 0 1 226.295 2.296 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cc(C)cc(C)n1 ZINC000269571152 385608643 /nfs/dbraw/zinc/60/86/43/385608643.db2.gz UWYLOZKLQBZDMK-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCOC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000336677384 385609590 /nfs/dbraw/zinc/60/95/90/385609590.db2.gz BNNFVUYHOYKSHL-ZJUUUORDSA-N 0 1 226.295 2.296 20 0 BEADMN Cc1ccncc1CN(C)C[C@@H]1CCCO1 ZINC000269593302 385612019 /nfs/dbraw/zinc/61/20/19/385612019.db2.gz TTYMAQYLGSERJE-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(C)CNCc1ncnn1C(C)(C)C ZINC000309529487 385664605 /nfs/dbraw/zinc/66/46/05/385664605.db2.gz BNSOCYYJWMZQKD-UHFFFAOYSA-N 0 1 224.352 2.169 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2cscn2)C1(C)C ZINC000309501430 385637904 /nfs/dbraw/zinc/63/79/04/385637904.db2.gz ZUXUEXLDZHYSLN-INTQDDNPSA-N 0 1 240.372 2.292 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2cscn2)C1(C)C ZINC000309501427 385638093 /nfs/dbraw/zinc/63/80/93/385638093.db2.gz ZUXUEXLDZHYSLN-FBIMIBRVSA-N 0 1 240.372 2.292 20 0 BEADMN COC[C@@H](NCc1cscn1)C1CCCC1 ZINC000309502248 385639713 /nfs/dbraw/zinc/63/97/13/385639713.db2.gz ACGBYRWKVGECJF-GFCCVEGCSA-N 0 1 240.372 2.438 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1sccc1Cl ZINC000306955298 385644869 /nfs/dbraw/zinc/64/48/69/385644869.db2.gz QEZGTKZYJKSVFQ-SFYZADRCSA-N 0 1 231.748 2.357 20 0 BEADMN CSCCCN(C)[C@@H](C)c1cnccn1 ZINC000281222084 385647158 /nfs/dbraw/zinc/64/71/58/385647158.db2.gz BUMVVIIEKRZDGJ-JTQLQIEISA-N 0 1 225.361 2.223 20 0 BEADMN CCn1nccc1CCN1CCC[C@](C)(F)C1 ZINC000451116370 385654742 /nfs/dbraw/zinc/65/47/42/385654742.db2.gz RQELRAUMSGTMSE-ZDUSSCGKSA-N 0 1 239.338 2.270 20 0 BEADMN C[C@H](NC[C@H]1CCCC[C@H]1O)c1cscn1 ZINC000252788135 385659923 /nfs/dbraw/zinc/65/99/23/385659923.db2.gz KUBOXJIJWNJKON-HOSYDEDBSA-N 0 1 240.372 2.345 20 0 BEADMN CC(C)c1cccnc1NC(=O)CN(C)C(C)C ZINC000337442914 385663967 /nfs/dbraw/zinc/66/39/67/385663967.db2.gz GWLBEEMLTKLIAI-UHFFFAOYSA-N 0 1 249.358 2.484 20 0 BEADMN C[C@@H](O)CN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000281482679 385673581 /nfs/dbraw/zinc/67/35/81/385673581.db2.gz WSTHYRVYYUNMNK-GHMZBOCLSA-N 0 1 246.310 2.373 20 0 BEADMN Cc1ncc(C(=O)N([C@H](C)C2CC2)C2CC2)[nH]1 ZINC000270145174 385674476 /nfs/dbraw/zinc/67/44/76/385674476.db2.gz VSZUCVORUJEICU-MRVPVSSYSA-N 0 1 233.315 2.121 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCCOC3)o1 ZINC000334599777 385674792 /nfs/dbraw/zinc/67/47/92/385674792.db2.gz PFUGNLQWXXUXME-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CCOc1ccc(CN2C[C@H](C)[C@@H]2C)nc1 ZINC000645216042 385676879 /nfs/dbraw/zinc/67/68/79/385676879.db2.gz AVECFEAESZDWDZ-QWRGUYRKSA-N 0 1 220.316 2.321 20 0 BEADMN c1[nH]nnc1SCc1csc(C2CC2)n1 ZINC000270228799 385687343 /nfs/dbraw/zinc/68/73/43/385687343.db2.gz IYACIYNWWIMROC-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN CC(C)c1cc(NCCF)nc(N(C)C)n1 ZINC000309563526 385694376 /nfs/dbraw/zinc/69/43/76/385694376.db2.gz LRXHPUXOQKQVPQ-UHFFFAOYSA-N 0 1 226.299 2.047 20 0 BEADMN C[C@H](N[C@H]1C=CCCC1)c1nnc2ccccn21 ZINC000182677856 385694825 /nfs/dbraw/zinc/69/48/25/385694825.db2.gz KTBHFAOUHOJFAP-RYUDHWBXSA-N 0 1 242.326 2.489 20 0 BEADMN CC[N@@H+](Cc1c(C)cccc1C)[C@H]1CCNC1=O ZINC000281796937 385703802 /nfs/dbraw/zinc/70/38/02/385703802.db2.gz KGRJVTZMJFNENU-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)[C@H]2CC2(C)C)n1 ZINC000336740195 385707399 /nfs/dbraw/zinc/70/73/99/385707399.db2.gz MDEYMQLZBSNNBY-KHQFGBGNSA-N 0 1 223.320 2.463 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C)CCC2CC2)c1C ZINC000331542548 385716740 /nfs/dbraw/zinc/71/67/40/385716740.db2.gz YAVWFLBMUOWBPX-QMMMGPOBSA-N 0 1 235.331 2.335 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCc2c1cccc2Cl ZINC000263565623 385670198 /nfs/dbraw/zinc/67/01/98/385670198.db2.gz FQEQACBYQHTVBO-NSHDSACASA-N 0 1 239.702 2.344 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](CC(C)C)C2)[nH]1 ZINC000270107156 385670315 /nfs/dbraw/zinc/67/03/15/385670315.db2.gz OUZLPCINXQXXMZ-NSHDSACASA-N 0 1 235.331 2.226 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H](C)[C@H](C)CC)n1 ZINC000183054300 385731986 /nfs/dbraw/zinc/73/19/86/385731986.db2.gz UMICCNHJFGTKCW-ZJUUUORDSA-N 0 1 237.347 2.269 20 0 BEADMN CN[C@@H](C)c1cn(Cc2c(C)cccc2C)nn1 ZINC000310963451 385737260 /nfs/dbraw/zinc/73/72/60/385737260.db2.gz QBOZCCFDCOUTPI-LBPRGKRZSA-N 0 1 244.342 2.224 20 0 BEADMN CCN(CC1CC1)C(=O)c1cccc2[nH]cnc21 ZINC000270755614 385740823 /nfs/dbraw/zinc/74/08/23/385740823.db2.gz VRFCNNOGIQXDQN-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@@H]2CCCCO2)s1 ZINC000295522331 385741904 /nfs/dbraw/zinc/74/19/04/385741904.db2.gz VXDZKTSGHIVGBR-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@H]2CCCCO2)s1 ZINC000295522330 385742301 /nfs/dbraw/zinc/74/23/01/385742301.db2.gz VXDZKTSGHIVGBR-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN COC(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186197659 385746690 /nfs/dbraw/zinc/74/66/90/385746690.db2.gz QYHGAUUVQXIGTI-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN Fc1ccc(F)c2c1CC[C@H]2N[C@@H]1CCOC1 ZINC000337678999 385750443 /nfs/dbraw/zinc/75/04/43/385750443.db2.gz UGGJXIMBHYNNDV-PRHODGIISA-N 0 1 239.265 2.331 20 0 BEADMN Cc1cnc(CNC(C)(C)COC(C)C)n1C ZINC000414554497 385751747 /nfs/dbraw/zinc/75/17/47/385751747.db2.gz SGRPDIZZSRUDBH-UHFFFAOYSA-N 0 1 239.363 2.022 20 0 BEADMN CC(C)c1nc([C@H](C)NC[C@@H](C)O)cs1 ZINC000186193216 385751757 /nfs/dbraw/zinc/75/17/57/385751757.db2.gz OEHXHULLXBLPEQ-BDAKNGLRSA-N 0 1 228.361 2.298 20 0 BEADMN CC(C)c1nc([C@H](C)NC[C@H](C)O)cs1 ZINC000186193254 385752106 /nfs/dbraw/zinc/75/21/06/385752106.db2.gz OEHXHULLXBLPEQ-IUCAKERBSA-N 0 1 228.361 2.298 20 0 BEADMN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccccn2)o1 ZINC000270921988 385760383 /nfs/dbraw/zinc/76/03/83/385760383.db2.gz OCFGXSWAPCEJLK-AAEUAGOBSA-N 0 1 246.310 2.367 20 0 BEADMN CN(C)c1ccncc1C(=O)N1CCC(C)(C)C1 ZINC000183591820 385774728 /nfs/dbraw/zinc/77/47/28/385774728.db2.gz UOBQFWKSRKOYOL-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN CCC(O)(CC)CN[C@H](C)c1cc(C)on1 ZINC000282735293 385782779 /nfs/dbraw/zinc/78/27/79/385782779.db2.gz MVAFTVLUEZMSOA-SNVBAGLBSA-N 0 1 226.320 2.185 20 0 BEADMN C[C@H](CCc1cccc(F)c1)N1CCOCC1 ZINC000182916915 385720945 /nfs/dbraw/zinc/72/09/45/385720945.db2.gz BAHHOUATTUDYGM-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN CC1(C)CN(Cc2cccc(F)c2N)C1 ZINC000309698280 385798024 /nfs/dbraw/zinc/79/80/24/385798024.db2.gz FCUNJIVMEKLESH-UHFFFAOYSA-N 0 1 208.280 2.250 20 0 BEADMN Cc1cncc(CN[C@@H](CO)c2ccccc2)c1 ZINC000183920770 385803951 /nfs/dbraw/zinc/80/39/51/385803951.db2.gz YOFNJWCESDRQDQ-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1nc(CN(C)Cc2cccc(C)c2C)n[nH]1 ZINC000271218320 385805467 /nfs/dbraw/zinc/80/54/67/385805467.db2.gz XWWLQNCIIHZKQR-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN CC1(C)CCCN(CC(=O)NCC2CCC2)C1 ZINC000112702388 385856790 /nfs/dbraw/zinc/85/67/90/385856790.db2.gz GEBGMUSYUUIPJI-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@@H](O)C(C)C)s1 ZINC000283921983 385809669 /nfs/dbraw/zinc/80/96/69/385809669.db2.gz KDZRQWXRDABYSC-SNVBAGLBSA-N 0 1 242.388 2.293 20 0 BEADMN CCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271259754 385810817 /nfs/dbraw/zinc/81/08/17/385810817.db2.gz JIWWWHAGFWNSLA-UHFFFAOYSA-N 0 1 217.219 2.394 20 0 BEADMN CS[C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271291117 385815755 /nfs/dbraw/zinc/81/57/55/385815755.db2.gz QIPHXPVCMIPCOT-RXMQYKEDSA-N 0 1 249.286 2.346 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CCC1 ZINC000271327446 385819476 /nfs/dbraw/zinc/81/94/76/385819476.db2.gz YJZQCUABYZKFJM-UHFFFAOYSA-N 0 1 229.230 2.394 20 0 BEADMN CC(C)[C@H]1CN(Cc2cncs2)CCCO1 ZINC000294239498 385827767 /nfs/dbraw/zinc/82/77/67/385827767.db2.gz ZTCUQCCZFUABKH-GFCCVEGCSA-N 0 1 240.372 2.390 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)CCCC2CC2)n[nH]1 ZINC000643232006 385834852 /nfs/dbraw/zinc/83/48/52/385834852.db2.gz TXBOFOVKYJMDBP-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1cccc(Cl)c1 ZINC000283899509 385839615 /nfs/dbraw/zinc/83/96/15/385839615.db2.gz FPBBZRYCXFPCGR-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN CC[C@@H](C)[C@@](C)(O)CNCc1csc(C)n1 ZINC000112380029 385841128 /nfs/dbraw/zinc/84/11/28/385841128.db2.gz FQHHMAZRHDDFFE-SKDRFNHKSA-N 0 1 242.388 2.338 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H]2C)n[nH]1 ZINC000294371029 385842238 /nfs/dbraw/zinc/84/22/38/385842238.db2.gz XMSCFIDOLWEYAQ-RKDXNWHRSA-N 0 1 221.304 2.014 20 0 BEADMN C[C@H]1COc2ccccc2C[N@H+]1CCCC(=O)[O-] ZINC000262299054 385842251 /nfs/dbraw/zinc/84/22/51/385842251.db2.gz ZFZVHOVNDMYMRL-NSHDSACASA-N 0 1 249.310 2.134 20 0 BEADMN CCCCN(CC)CC(=O)Nc1ccncc1 ZINC000112558936 385845398 /nfs/dbraw/zinc/84/53/98/385845398.db2.gz GQPIGUJCHONUOO-UHFFFAOYSA-N 0 1 235.331 2.142 20 0 BEADMN Clc1cccc2c1CCN(Cc1c[nH]nn1)C2 ZINC000284041207 385846676 /nfs/dbraw/zinc/84/66/76/385846676.db2.gz PEHJTAVSSOYHPT-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCn1nccc1CNCc1cc(C)cc(N)c1 ZINC000414957411 385851382 /nfs/dbraw/zinc/85/13/82/385851382.db2.gz BLSQADLBRVJZBW-UHFFFAOYSA-N 0 1 244.342 2.083 20 0 BEADMN CCN(C)C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000284094958 385851525 /nfs/dbraw/zinc/85/15/25/385851525.db2.gz BAQFAVGNVHLVHO-UHFFFAOYSA-N 0 1 237.690 2.308 20 0 BEADMN COc1nccnc1CN1CCCCCCC1 ZINC000294506947 385859059 /nfs/dbraw/zinc/85/90/59/385859059.db2.gz CCTCWEXIFIZJBN-UHFFFAOYSA-N 0 1 235.331 2.251 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1nccs1 ZINC000308290364 385788799 /nfs/dbraw/zinc/78/87/99/385788799.db2.gz DNECBMPWZRXXDO-JGVFFNPUSA-N 0 1 214.359 2.127 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)[nH]1 ZINC000294021101 385789635 /nfs/dbraw/zinc/78/96/35/385789635.db2.gz TYULFYMFKLNQMT-NSHDSACASA-N 0 1 235.331 2.225 20 0 BEADMN CN(Cc1ccon1)C[C@@H]1CC=CCC1 ZINC000271170650 385796605 /nfs/dbraw/zinc/79/66/05/385796605.db2.gz DOXYLJQUOKMTJR-LLVKDONJSA-N 0 1 206.289 2.463 20 0 BEADMN Cc1n[nH]cc1CNc1nccn1CC(C)C ZINC000232686181 385885507 /nfs/dbraw/zinc/88/55/07/385885507.db2.gz LBNRVBVIAGNBMC-UHFFFAOYSA-N 0 1 233.319 2.183 20 0 BEADMN CCCN(C)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000647921462 385892116 /nfs/dbraw/zinc/89/21/16/385892116.db2.gz SXQIHSZKWWQXFQ-NSHDSACASA-N 0 1 240.734 2.208 20 0 BEADMN CCc1ccc[nH+]c1NCc1n[nH]cc1C ZINC000289470168 385928847 /nfs/dbraw/zinc/92/88/47/385928847.db2.gz IZPKOOKKGDQWMW-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN Cc1cnccc1CN(C)CCOCC1CC1 ZINC000294756164 385892424 /nfs/dbraw/zinc/89/24/24/385892424.db2.gz ILZHQAPKRFOKLW-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN COCC[C@H](NCc1cccn1C)c1ccco1 ZINC000272418721 385902109 /nfs/dbraw/zinc/90/21/09/385902109.db2.gz DBZVHBGZFUZRCV-ZDUSSCGKSA-N 0 1 248.326 2.486 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@@H](C)c2cn[nH]c2)n[nH]1 ZINC000285157025 385903252 /nfs/dbraw/zinc/90/32/52/385903252.db2.gz MKVAZYHBDDOOSG-DTWKUNHWSA-N 0 1 248.334 2.063 20 0 BEADMN CCC[C@@H]1CCCN(Cc2nccnc2OC)C1 ZINC000294889609 385909783 /nfs/dbraw/zinc/90/97/83/385909783.db2.gz RKBBMYWXQPBWQR-GFCCVEGCSA-N 0 1 249.358 2.497 20 0 BEADMN C[C@H]1CCC[C@H](Cn2ccnc2CN)C1 ZINC000308938261 385912527 /nfs/dbraw/zinc/91/25/27/385912527.db2.gz UDSYLEVPORWVFI-QWRGUYRKSA-N 0 1 207.321 2.168 20 0 BEADMN CC[C@@H](F)CN[C@@H](CCO)c1ccccc1 ZINC000336746092 385919094 /nfs/dbraw/zinc/91/90/94/385919094.db2.gz WECMNBUAPHZFHI-OLZOCXBDSA-N 0 1 225.307 2.448 20 0 BEADMN CC[C@H](F)CN[C@@H](CCO)c1ccccc1 ZINC000336746094 385919534 /nfs/dbraw/zinc/91/95/34/385919534.db2.gz WECMNBUAPHZFHI-STQMWFEESA-N 0 1 225.307 2.448 20 0 BEADMN c1csc([C@H]2CCCN2Cc2c[nH]nn2)c1 ZINC000284410088 385869269 /nfs/dbraw/zinc/86/92/69/385869269.db2.gz XCBBJEPRGWWMHI-SNVBAGLBSA-N 0 1 234.328 2.203 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000647736058 385877503 /nfs/dbraw/zinc/87/75/03/385877503.db2.gz YFYJZHUUTMJKJK-SNVBAGLBSA-N 0 1 235.331 2.121 20 0 BEADMN C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1F ZINC000338014949 385879155 /nfs/dbraw/zinc/87/91/55/385879155.db2.gz INELLASUAAKVOU-GHMZBOCLSA-N 0 1 249.333 2.108 20 0 BEADMN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccncc1F ZINC000338011740 385879775 /nfs/dbraw/zinc/87/97/75/385879775.db2.gz OKLURHOWZPRVML-UWJYBYFXSA-N 0 1 238.306 2.031 20 0 BEADMN COc1nccnc1CN1CCC[C@@H](C)[C@@H]1C ZINC000294685443 385882141 /nfs/dbraw/zinc/88/21/41/385882141.db2.gz DMBDCNIFLCEDJZ-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161586777 385979449 /nfs/dbraw/zinc/97/94/49/385979449.db2.gz DOBZBTCHTZUJEA-MRCXROJRSA-N 0 1 249.358 2.202 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@H](O)C[C@@H]2C)c1 ZINC000295166261 385980625 /nfs/dbraw/zinc/98/06/25/385980625.db2.gz FOEYRHVFENAGII-NHYWBVRUSA-N 0 1 247.338 2.234 20 0 BEADMN NC1(c2noc(C(C3CC3)C3CC3)n2)CCC1 ZINC000414623688 385982075 /nfs/dbraw/zinc/98/20/75/385982075.db2.gz DYEBSXXPQIPOLI-UHFFFAOYSA-N 0 1 233.315 2.311 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CCCC(F)(F)C1 ZINC000338374559 385982653 /nfs/dbraw/zinc/98/26/53/385982653.db2.gz USDLEUIMJSPNGS-ZJUUUORDSA-N 0 1 249.301 2.305 20 0 BEADMN Cc1ccnc([C@H](C)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000285989107 385985022 /nfs/dbraw/zinc/98/50/22/385985022.db2.gz IAKOIGXFIFCCOI-QWHCGFSZSA-N 0 1 233.359 2.135 20 0 BEADMN CO[C@@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000414626556 385995299 /nfs/dbraw/zinc/99/52/99/385995299.db2.gz YLVITEADKYFIJS-NXEZZACHSA-N 0 1 241.335 2.459 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1C(=O)[O-] ZINC000309152679 385989666 /nfs/dbraw/zinc/98/96/66/385989666.db2.gz UOQWNRPZLPWXFG-ONGXEEELSA-N 0 1 239.340 2.291 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414141692 385990354 /nfs/dbraw/zinc/99/03/54/385990354.db2.gz KGUQFYNYECPMCD-DRZSPHRISA-N 0 1 237.347 2.028 20 0 BEADMN CC/C=C/CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414144656 385991926 /nfs/dbraw/zinc/99/19/26/385991926.db2.gz JTWSJUVSDQHUJB-ZWNMCFTASA-N 0 1 219.332 2.446 20 0 BEADMN COc1nccnc1CN1CC[C@@H](C)C[C@@H]1C ZINC000294972588 385930938 /nfs/dbraw/zinc/93/09/38/385930938.db2.gz WYHJEZIFAXUART-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(CN2CCC(C(C)C)CC2)n1 ZINC000294970209 385931916 /nfs/dbraw/zinc/93/19/16/385931916.db2.gz WTFDLUCUXBLKAY-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@@H](C)C2)[nH]1 ZINC000272770719 385932475 /nfs/dbraw/zinc/93/24/75/385932475.db2.gz SJWHQNQFIYLYCK-SNVBAGLBSA-N 0 1 236.315 2.033 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H](N)c1ccccc1C ZINC000294985873 385934253 /nfs/dbraw/zinc/93/42/53/385934253.db2.gz HDPLSOWWOQVQHO-BXUZGUMPSA-N 0 1 248.370 2.499 20 0 BEADMN CCC1(CNC(=O)[C@@H](N)c2ccccc2C)CC1 ZINC000294986011 385934564 /nfs/dbraw/zinc/93/45/64/385934564.db2.gz HGTQLWPXDGPEDZ-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(C)[nH]2)C1 ZINC000335042901 385935780 /nfs/dbraw/zinc/93/57/80/385935780.db2.gz IWIRICLBNNUUKB-GXSJLCMTSA-N 0 1 235.331 2.369 20 0 BEADMN CCN1CCN(CCCCCF)C(C)(C)C1=O ZINC000342137249 385935997 /nfs/dbraw/zinc/93/59/97/385935997.db2.gz UKWWWKQKIDMOJP-UHFFFAOYSA-N 0 1 244.354 2.069 20 0 BEADMN CS[C@@H]1CCN(Cc2cc(O)cc(F)c2)C1 ZINC000294992922 385936699 /nfs/dbraw/zinc/93/66/99/385936699.db2.gz HSQJVIZGFZIJAA-GFCCVEGCSA-N 0 1 241.331 2.469 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cccnc1Cl ZINC000189112290 385939766 /nfs/dbraw/zinc/93/97/66/385939766.db2.gz SSTPXYLPXBISBB-IUCAKERBSA-N 0 1 228.723 2.248 20 0 BEADMN CCOc1cccc(CN[C@H]2C[C@H]2C(F)F)n1 ZINC000342185290 385943289 /nfs/dbraw/zinc/94/32/89/385943289.db2.gz CJWYTGFGTAXTSD-ZJUUUORDSA-N 0 1 242.269 2.224 20 0 BEADMN CCOc1ncc(C)cc1NCc1[nH]ncc1C ZINC000295037971 385949712 /nfs/dbraw/zinc/94/97/12/385949712.db2.gz DSDYCZATNHGTPJ-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN CS[C@@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000295036623 385950816 /nfs/dbraw/zinc/95/08/16/385950816.db2.gz MFKDSNTXXAKHAG-GFCCVEGCSA-N 0 1 239.388 2.401 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000295040945 385951102 /nfs/dbraw/zinc/95/11/02/385951102.db2.gz NUPWNHRGEATFGN-AWEZNQCLSA-N 0 1 233.311 2.110 20 0 BEADMN CS[C@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000295036629 385951961 /nfs/dbraw/zinc/95/19/61/385951961.db2.gz MFKDSNTXXAKHAG-LBPRGKRZSA-N 0 1 239.388 2.401 20 0 BEADMN CCOCCN1Cc2ccccc2OC[C@H]1C ZINC000272954857 385955372 /nfs/dbraw/zinc/95/53/72/385955372.db2.gz MZYQTLQURPAJJP-GFCCVEGCSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1cc(C2CCN(Cc3ccon3)CC2)[nH]n1 ZINC000272965801 385955916 /nfs/dbraw/zinc/95/59/16/385955916.db2.gz OFVBNQYZJMZCQX-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CC(C)[C@@H](O)C(=O)Nc1cccc(Cl)c1O ZINC000285711820 385958345 /nfs/dbraw/zinc/95/83/45/385958345.db2.gz IOJTYYZKYCKTDS-SECBINFHSA-N 0 1 243.690 2.001 20 0 BEADMN CC/C=C/CCN1CCN(C(=O)C(C)C)CC1 ZINC000342213098 385960329 /nfs/dbraw/zinc/96/03/29/385960329.db2.gz AVSBYKMLSAVUMJ-AATRIKPKSA-N 0 1 238.375 2.143 20 0 BEADMN CC/C=C\CCN1CCN(C(=O)C(C)C)CC1 ZINC000342213100 385961057 /nfs/dbraw/zinc/96/10/57/385961057.db2.gz AVSBYKMLSAVUMJ-WAYWQWQTSA-N 0 1 238.375 2.143 20 0 BEADMN CCC[C@H](CCO)CN[C@H](C)c1cc(C)on1 ZINC000340491915 385961366 /nfs/dbraw/zinc/96/13/66/385961366.db2.gz TUKBVMGYWTXKHB-VXGBXAGGSA-N 0 1 240.347 2.432 20 0 BEADMN CN(Cc1cccn1C)[C@@H](CO)c1ccccc1 ZINC000295100722 385967745 /nfs/dbraw/zinc/96/77/45/385967745.db2.gz SSPVCHPJLPJCAJ-HNNXBMFYSA-N 0 1 244.338 2.191 20 0 BEADMN C[C@H](C1CCCCC1)N(C)Cc1cn(C)nn1 ZINC000338358542 385968121 /nfs/dbraw/zinc/96/81/21/385968121.db2.gz RFQGMEQRULYNRJ-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN COC[C@]1(C)CCN(Cc2cncc(F)c2)C1 ZINC000295128741 385972647 /nfs/dbraw/zinc/97/26/47/385972647.db2.gz OEYKCCSZZIMMOL-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN NCc1cc(C(=O)N[C@H]2CC23CCCCC3)co1 ZINC000335016119 385973326 /nfs/dbraw/zinc/97/33/26/385973326.db2.gz UPVVDAXLYBXLPC-LBPRGKRZSA-N 0 1 248.326 2.191 20 0 BEADMN Cc1nc(CN[C@@H]2CCCc3cn[nH]c32)cs1 ZINC000335016785 385973359 /nfs/dbraw/zinc/97/33/59/385973359.db2.gz SHFPZUNQJFEURS-LLVKDONJSA-N 0 1 248.355 2.342 20 0 BEADMN CO[C@H](c1nc([C@H](N)CC(C)C)no1)C(C)C ZINC000414626559 385994557 /nfs/dbraw/zinc/99/45/57/385994557.db2.gz YLVITEADKYFIJS-ZJUUUORDSA-N 0 1 241.335 2.459 20 0 BEADMN CCC[C@H](N[C@H](C)C(=O)NCC)c1cccnc1 ZINC000273383785 385994571 /nfs/dbraw/zinc/99/45/71/385994571.db2.gz IUFYZRAGUPIFAK-YPMHNXCESA-N 0 1 249.358 2.037 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)c1ccccc1C ZINC000295263971 386002099 /nfs/dbraw/zinc/00/20/99/386002099.db2.gz VEFZYVYUHYZOLS-KWCYVHTRSA-N 0 1 246.354 2.300 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000414151825 386002509 /nfs/dbraw/zinc/00/25/09/386002509.db2.gz WORHJTCEKQQNAW-GARJFASQSA-N 0 1 224.304 2.201 20 0 BEADMN COC[C@H](NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000273474552 386004094 /nfs/dbraw/zinc/00/40/94/386004094.db2.gz GMULHTKADSYKPZ-NEPJUHHUSA-N 0 1 239.315 2.044 20 0 BEADMN CN(C)c1ccncc1C(=O)N1CCCCCC1 ZINC000273479478 386005763 /nfs/dbraw/zinc/00/57/63/386005763.db2.gz IKUIBTCKLBKZKX-UHFFFAOYSA-N 0 1 247.342 2.164 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414115982 386008072 /nfs/dbraw/zinc/00/80/72/386008072.db2.gz QAMFYDMMIDZZNO-PWSUYJOCSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C2=CCCCCC2)n[nH]1 ZINC000286239588 386010846 /nfs/dbraw/zinc/01/08/46/386010846.db2.gz DEUZBMUNDUZPQQ-SECBINFHSA-N 0 1 248.330 2.181 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2nccn2C)C12CCC2 ZINC000414170967 386015674 /nfs/dbraw/zinc/01/56/74/386015674.db2.gz CIRPMGYTDPBIDZ-QJPTWQEYSA-N 0 1 249.358 2.028 20 0 BEADMN CCN1CCN(C(=O)CCCC2CC2)[C@H](C)C1 ZINC000643270882 386020057 /nfs/dbraw/zinc/02/00/57/386020057.db2.gz WVPRNOLHYQMRKE-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN COc1nccnc1CN1CCCC[C@H](C)C1 ZINC000295374157 386021355 /nfs/dbraw/zinc/02/13/55/386021355.db2.gz JXNNNGZWBPLDKG-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN C[C@@H](NCC1CCCCC1)c1ncn(C)n1 ZINC000336752957 386021488 /nfs/dbraw/zinc/02/14/88/386021488.db2.gz WCRRRLGKQAAUAH-SNVBAGLBSA-N 0 1 222.336 2.046 20 0 BEADMN CCCCCCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286316122 386023666 /nfs/dbraw/zinc/02/36/66/386023666.db2.gz KNQZZRBISIFACJ-VIFPVBQESA-N 0 1 238.335 2.261 20 0 BEADMN Cc1cc(CNC2CC(OC(C)C)C2)on1 ZINC000189560395 386025937 /nfs/dbraw/zinc/02/59/37/386025937.db2.gz IEXKCAFMOBQXNK-UHFFFAOYSA-N 0 1 224.304 2.029 20 0 BEADMN CSCCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286380589 386032823 /nfs/dbraw/zinc/03/28/23/386032823.db2.gz ZBQXYOMEPTYSNX-LLVKDONJSA-N 0 1 225.361 2.300 20 0 BEADMN CN(Cc1cccc(F)c1F)[C@@H]1CCC[C@H]1O ZINC000286401058 386035112 /nfs/dbraw/zinc/03/51/12/386035112.db2.gz HKXOUQWHMIFJMN-VXGBXAGGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H](N[C@@H]1CCSC1)c1cscn1 ZINC000222148339 386035998 /nfs/dbraw/zinc/03/59/98/386035998.db2.gz OOLSLJDGWXEFDJ-JGVFFNPUSA-N 0 1 214.359 2.299 20 0 BEADMN CC[C@@H](N[C@@H]1CCO[C@H]1CC)c1ccn(C)n1 ZINC000414202256 386038189 /nfs/dbraw/zinc/03/81/89/386038189.db2.gz FQWRLOUNTFAOEV-RTXFEEFZSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cn[nH]c1 ZINC000222458502 386046499 /nfs/dbraw/zinc/04/64/99/386046499.db2.gz GFIFZRKTGHLSAX-DTWKUNHWSA-N 0 1 234.278 2.356 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccncc1 ZINC000222476820 386046590 /nfs/dbraw/zinc/04/65/90/386046590.db2.gz DODYSNJDWWJRBO-ZJUUUORDSA-N 0 1 216.288 2.217 20 0 BEADMN CO[C@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273906617 386050444 /nfs/dbraw/zinc/05/04/44/386050444.db2.gz MONMDEOZYPCRNB-SSDOTTSWSA-N 0 1 244.254 2.320 20 0 BEADMN CN(Cc1ccc(F)cc1F)[C@@H]1CCC[C@H]1O ZINC000286561976 386053801 /nfs/dbraw/zinc/05/38/01/386053801.db2.gz PBTUSIUBOUKAQY-CHWSQXEVSA-N 0 1 241.281 2.310 20 0 BEADMN CCC[C@@H](N[C@H](C)C(=O)NCC)c1cccnc1 ZINC000273383781 385995883 /nfs/dbraw/zinc/99/58/83/385995883.db2.gz IUFYZRAGUPIFAK-DGCLKSJQSA-N 0 1 249.358 2.037 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)[C@@H]1C ZINC000425419553 385996093 /nfs/dbraw/zinc/99/60/93/385996093.db2.gz KAAAFMLLDBQBOL-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@H](C)CCc1nc(C2(N)CCC2)no1 ZINC000414627730 385996595 /nfs/dbraw/zinc/99/65/95/385996595.db2.gz MLMLQCHWKITVQO-VIFPVBQESA-N 0 1 223.320 2.386 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2ccccc2)nn1 ZINC000310108710 386101941 /nfs/dbraw/zinc/10/19/41/386101941.db2.gz QEFRVKSKLBXCSA-MNOVXSKESA-N 0 1 230.315 2.168 20 0 BEADMN FC1CCC(CNc2ncnc3[nH]cnc32)CC1 ZINC000645389936 386104436 /nfs/dbraw/zinc/10/44/36/386104436.db2.gz DICNUNDFYQDYGA-UHFFFAOYSA-N 0 1 249.293 2.245 20 0 BEADMN CC[C@H](N[C@H](C)c1cc(C)on1)[C@@H](O)C(C)C ZINC000414299085 386106841 /nfs/dbraw/zinc/10/68/41/386106841.db2.gz QVFWJWPSECCRDA-MDZLAQPJSA-N 0 1 240.347 2.429 20 0 BEADMN COC[C@@H]1CCN1Cc1cccc(C)c1F ZINC000295927874 386108767 /nfs/dbraw/zinc/10/87/67/386108767.db2.gz FKHLJZCBBYPVPQ-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN COC(=O)c1ccc(CN2CCCC3(CC3)C2)[nH]1 ZINC000274504559 386110887 /nfs/dbraw/zinc/11/08/87/386110887.db2.gz SMDCEGBHEROMLI-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000162809298 386113151 /nfs/dbraw/zinc/11/31/51/386113151.db2.gz IWABQXSTSWSKKE-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1noc(CNC2[C@H](C)CCC[C@H]2C)n1 ZINC000038034512 386115437 /nfs/dbraw/zinc/11/54/37/386115437.db2.gz UVRQQRZEVQMGDY-RKDXNWHRSA-N 0 1 223.320 2.292 20 0 BEADMN COCc1ccc(CN(C(C)C)C2COC2)cc1 ZINC000295606897 386061163 /nfs/dbraw/zinc/06/11/63/386061163.db2.gz DKKRBKRTNIZYJU-UHFFFAOYSA-N 0 1 249.354 2.442 20 0 BEADMN C[C@@H](NC[C@H](O)CC1CCCC1)c1ccon1 ZINC000355321938 386062127 /nfs/dbraw/zinc/06/21/27/386062127.db2.gz SUWMOGVMGGZDPM-ZYHUDNBSSA-N 0 1 238.331 2.266 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CC(C)=C[C@H](C)C2)n1 ZINC000430272852 386064834 /nfs/dbraw/zinc/06/48/34/386064834.db2.gz CDFHJTKZLRIMFL-JOYOIKCWSA-N 0 1 247.342 2.450 20 0 BEADMN C[C@@H](NCCOCC1CC1)c1nccs1 ZINC000129200670 386064968 /nfs/dbraw/zinc/06/49/68/386064968.db2.gz CNWGQAAAXDKKAK-SECBINFHSA-N 0 1 226.345 2.220 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1nccn1CC ZINC000414211156 386066084 /nfs/dbraw/zinc/06/60/84/386066084.db2.gz OLFACZMWPIUJGK-TUAOUCFPSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@@H](F)CN1CCC[C@H](n2cccn2)C1 ZINC000440690465 386076631 /nfs/dbraw/zinc/07/66/31/386076631.db2.gz FIOLGIZOFGUXOX-NEPJUHHUSA-N 0 1 225.311 2.268 20 0 BEADMN Cc1c[nH]nc1CNC[C@H](C)C(F)(F)F ZINC000336772262 386078207 /nfs/dbraw/zinc/07/82/07/386078207.db2.gz XZBXJAZJNHGUBO-ZETCQYMHSA-N 0 1 221.226 2.006 20 0 BEADMN CC1(C)CC[C@H](CNCc2cscn2)O1 ZINC000189727365 386082767 /nfs/dbraw/zinc/08/27/67/386082767.db2.gz PXIYEUVKGDFHMR-SNVBAGLBSA-N 0 1 226.345 2.190 20 0 BEADMN CSC[C@H](C)NCc1cc(F)ncc1F ZINC000295774220 386084936 /nfs/dbraw/zinc/08/49/36/386084936.db2.gz QZEHKEJAGRRYJN-ZETCQYMHSA-N 0 1 232.299 2.201 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2C)C1 ZINC000295866443 386098054 /nfs/dbraw/zinc/09/80/54/386098054.db2.gz XDQFCCDASJIPOC-JSGCOSHPSA-N 0 1 246.354 2.253 20 0 BEADMN CO[C@@H]1C[N@@H+](CCc2cscn2)CC[C@H]1C ZINC000296168987 386144275 /nfs/dbraw/zinc/14/42/75/386144275.db2.gz ZGMIFKDRGYUGCG-ZYHUDNBSSA-N 0 1 240.372 2.042 20 0 BEADMN CC(C)(C)c1cc(CSc2c[nH]nn2)no1 ZINC000296171433 386144718 /nfs/dbraw/zinc/14/47/18/386144718.db2.gz ZLHWTMVKTDGQEY-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN COc1ccncc1CN(C)[C@@H]1CCSC1 ZINC000287754952 386146086 /nfs/dbraw/zinc/14/60/86/386146086.db2.gz LXDBLMYNLXUVAG-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN C[C@]1(C(=O)Nc2ccc3nc[nH]c3c2)C[C@H]1F ZINC000335156462 386150768 /nfs/dbraw/zinc/15/07/68/386150768.db2.gz QNBHUYTVQBZVGN-PWSUYJOCSA-N 0 1 233.246 2.250 20 0 BEADMN CC[C@H](F)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000440793147 386154418 /nfs/dbraw/zinc/15/44/18/386154418.db2.gz OOTNGYSFHLKYPR-UWVGGRQHSA-N 0 1 226.299 2.080 20 0 BEADMN Cc1csc(CNC[C@@H]2CC[C@@H](C)O2)n1 ZINC000148612256 386154684 /nfs/dbraw/zinc/15/46/84/386154684.db2.gz WQCCYIZYKATLAJ-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccc(C)nn1 ZINC000414368795 386154991 /nfs/dbraw/zinc/15/49/91/386154991.db2.gz STFRHEGIVBQTIU-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000334605141 386159238 /nfs/dbraw/zinc/15/92/38/386159238.db2.gz XYLDGDONPPQWAQ-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CN[C@H](C)c1cn(C[C@H]2CCC[C@H](C)C2)nn1 ZINC000310181078 386162943 /nfs/dbraw/zinc/16/29/43/386162943.db2.gz WIHQKNKMLCPQKG-TUAOUCFPSA-N 0 1 236.363 2.385 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@@H](C)C1 ZINC000263695116 386166878 /nfs/dbraw/zinc/16/68/78/386166878.db2.gz KPJYDVQUUNHGOI-LLVKDONJSA-N 0 1 207.321 2.306 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000263765108 386175043 /nfs/dbraw/zinc/17/50/43/386175043.db2.gz YPVBZMSYVFOAAP-STQMWFEESA-N 0 1 247.338 2.346 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H](C)C2)n[nH]1 ZINC000263838406 386182766 /nfs/dbraw/zinc/18/27/66/386182766.db2.gz WGKBNOXTRFJGBD-VIFPVBQESA-N 0 1 221.304 2.015 20 0 BEADMN CN(C)c1ccccc1CNCc1ccccn1 ZINC000263902091 386187656 /nfs/dbraw/zinc/18/76/56/386187656.db2.gz WYZRFJGAPDHKQU-UHFFFAOYSA-N 0 1 241.338 2.437 20 0 BEADMN Cn1nccc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000335131556 386131552 /nfs/dbraw/zinc/13/15/52/386131552.db2.gz WZVIKHKBLJHJDE-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN CO[C@@H](C[N@@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000425464305 386135192 /nfs/dbraw/zinc/13/51/92/386135192.db2.gz XGRNQJJKDZLJLA-HNNXBMFYSA-N 0 1 246.354 2.471 20 0 BEADMN CCn1ccnc1NCc1ccoc1C ZINC000414304806 386138554 /nfs/dbraw/zinc/13/85/54/386138554.db2.gz RAMVWYAXPVPMBS-UHFFFAOYSA-N 0 1 205.261 2.417 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H]2C(C)C)n[nH]1 ZINC000334467166 386138813 /nfs/dbraw/zinc/13/88/13/386138813.db2.gz DYSSGBGWIXBXEG-LBPRGKRZSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)C2CC2)nn1 ZINC000414366412 386141049 /nfs/dbraw/zinc/14/10/49/386141049.db2.gz BRHDBLVGZUDXKL-JTQLQIEISA-N 0 1 205.305 2.015 20 0 BEADMN CC(C)c1cc(N2C[C@H](C)N(C)[C@@H](C)C2)ncn1 ZINC000338793173 386142838 /nfs/dbraw/zinc/14/28/38/386142838.db2.gz JGVXUBAXVBLYIT-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@@H]1CC12CC2 ZINC000643314978 386200685 /nfs/dbraw/zinc/20/06/85/386200685.db2.gz CBIGGWJTZAYNMZ-QMMMGPOBSA-N 0 1 245.257 2.441 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)C[C@H](C)O1 ZINC000347049775 386205140 /nfs/dbraw/zinc/20/51/40/386205140.db2.gz INMJUJYXSFTOQJ-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@H](CF)NCc1cnn(-c2ccccc2)c1 ZINC000288520957 386212188 /nfs/dbraw/zinc/21/21/88/386212188.db2.gz UPVZRTMZEOQMLK-LLVKDONJSA-N 0 1 233.290 2.320 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CC12CC2 ZINC000643332986 386222289 /nfs/dbraw/zinc/22/22/89/386222289.db2.gz LGZXHNLJQHEYGY-SECBINFHSA-N 0 1 227.267 2.302 20 0 BEADMN CN(Cc1ccccn1)[C@@H](CO)c1ccccc1 ZINC000264267062 386223204 /nfs/dbraw/zinc/22/32/04/386223204.db2.gz KUYZHOWSTFERJX-HNNXBMFYSA-N 0 1 242.322 2.247 20 0 BEADMN CCC1(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000297268317 386238356 /nfs/dbraw/zinc/23/83/56/386238356.db2.gz KLOYVXYULSUZKU-SNVBAGLBSA-N 0 1 248.330 2.029 20 0 BEADMN CCC[C@H](C)N(C)Cc1cncnc1OC ZINC000648001715 386239367 /nfs/dbraw/zinc/23/93/67/386239367.db2.gz FMVRTMGCTXIDHR-JTQLQIEISA-N 0 1 223.320 2.106 20 0 BEADMN CCC1(C)CN(Cc2cccc(C(N)=O)c2)C1 ZINC000297305504 386241572 /nfs/dbraw/zinc/24/15/72/386241572.db2.gz BVPPFJXOYFLTAL-UHFFFAOYSA-N 0 1 232.327 2.017 20 0 BEADMN CC(C)n1cc(CNCc2ccc(O)cc2)cn1 ZINC000226243424 386242571 /nfs/dbraw/zinc/24/25/71/386242571.db2.gz HZEDFTXCSUYILH-UHFFFAOYSA-N 0 1 245.326 2.459 20 0 BEADMN C[C@H](CN1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000339119064 386249587 /nfs/dbraw/zinc/24/95/87/386249587.db2.gz PQWYSTSXTPDEPR-LLVKDONJSA-N 0 1 248.374 2.379 20 0 BEADMN CC/C=C(\C)C(=O)NCc1ccc2cncn2c1 ZINC000297409778 386254066 /nfs/dbraw/zinc/25/40/66/386254066.db2.gz YHLLVONIROZYTD-NYYWCZLTSA-N 0 1 243.310 2.307 20 0 BEADMN C[C@@H](COc1cccc(F)c1)NCc1ncc[nH]1 ZINC000263903453 386191749 /nfs/dbraw/zinc/19/17/49/386191749.db2.gz YEUCWTOXIIVVRL-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN COc1nccc(CN2CCC(C)=C(C)C2)n1 ZINC000296660389 386191847 /nfs/dbraw/zinc/19/18/47/386191847.db2.gz FCSKKIHWURZCSL-UHFFFAOYSA-N 0 1 233.315 2.027 20 0 BEADMN CCOC[C@H](C)NCc1cc(C2CC2)no1 ZINC000639075193 386280896 /nfs/dbraw/zinc/28/08/96/386280896.db2.gz ZESPLARGQJFZLD-VIFPVBQESA-N 0 1 224.304 2.067 20 0 BEADMN COC1(C)CCN(Cc2ccc(F)cn2)CC1 ZINC000276218177 386287575 /nfs/dbraw/zinc/28/75/75/386287575.db2.gz LSEYFSKJSRYXRP-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN Nc1ncc(CN2CCc3ccccc3C2)s1 ZINC000058083019 386289295 /nfs/dbraw/zinc/28/92/95/386289295.db2.gz LUGCFLUNNNBEGA-UHFFFAOYSA-N 0 1 245.351 2.284 20 0 BEADMN COC[C@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000336665861 386289520 /nfs/dbraw/zinc/28/95/20/386289520.db2.gz PSZTXMOANHIYCC-QMMMGPOBSA-N 0 1 223.238 2.216 20 0 BEADMN CO[C@@H]1CN(Cc2ccc(F)cn2)CC[C@@H]1C ZINC000276280692 386294851 /nfs/dbraw/zinc/29/48/51/386294851.db2.gz UCPMVPRAPQIVGN-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN CC(C)CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000265028269 386296759 /nfs/dbraw/zinc/29/67/59/386296759.db2.gz SENZPEQBPISHTM-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN Cc1nccc(N(C)CC(N)=O)c1Cl ZINC000334481294 386300971 /nfs/dbraw/zinc/30/09/71/386300971.db2.gz WEEDNAGCGSBPBG-UHFFFAOYSA-N 0 1 213.668 2.015 20 0 BEADMN Cc1occc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000335265558 386301106 /nfs/dbraw/zinc/30/11/06/386301106.db2.gz RAOHNOARHCDYJP-UHFFFAOYSA-N 0 1 244.294 2.247 20 0 BEADMN CC[C@]1(C)COCCN1CCOCC(C)C ZINC000336670829 386315768 /nfs/dbraw/zinc/31/57/68/386315768.db2.gz XGXNMUGVLSCNNI-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](C)C2)c1C ZINC000265206068 386315782 /nfs/dbraw/zinc/31/57/82/386315782.db2.gz KGYGZWZAJMDWQY-GZMMTYOYSA-N 0 1 235.331 2.335 20 0 BEADMN COCc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)o1 ZINC000289103636 386262081 /nfs/dbraw/zinc/26/20/81/386262081.db2.gz CHYQJBCZFPRNPD-GSJFWJNXSA-N 0 1 239.315 2.035 20 0 BEADMN Cc1cc(CN2CCCCCC2)nn1C ZINC000336651201 386266177 /nfs/dbraw/zinc/26/61/77/386266177.db2.gz UUDFSTSSXWYERZ-UHFFFAOYSA-N 0 1 207.321 2.105 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2ccccc2C)[nH]1 ZINC000264799649 386271656 /nfs/dbraw/zinc/27/16/56/386271656.db2.gz YSDBWXYSWASBNT-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN COC[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276107677 386273987 /nfs/dbraw/zinc/27/39/87/386273987.db2.gz AISKMCJXLDLVLZ-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC000416316852 386274558 /nfs/dbraw/zinc/27/45/58/386274558.db2.gz HRXDRFCUPAOBOS-AEJSXWLSSA-N 0 1 235.331 2.089 20 0 BEADMN CCOCCN1CC=C(C(F)(F)F)CC1 ZINC000336644355 386276768 /nfs/dbraw/zinc/27/67/68/386276768.db2.gz GBXUKIGOQWUOAV-UHFFFAOYSA-N 0 1 223.238 2.217 20 0 BEADMN CCC[C@H](C)N(C)Cc1nccc(C)n1 ZINC000336644422 386276894 /nfs/dbraw/zinc/27/68/94/386276894.db2.gz GIRTZIGZHMKMOE-NSHDSACASA-N 0 1 207.321 2.405 20 0 BEADMN C[C@@H]1[C@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)[C@H]1C ZINC000416323420 386280218 /nfs/dbraw/zinc/28/02/18/386280218.db2.gz UPRXHWUYWAEOOU-BBBLOLIVSA-N 0 1 247.342 2.404 20 0 BEADMN CCCCN(Cc1cc(=O)c(O)co1)C1CC1 ZINC000265479291 386342583 /nfs/dbraw/zinc/34/25/83/386342583.db2.gz GUAXJXNTWWBGNO-UHFFFAOYSA-N 0 1 237.299 2.110 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2ccccc2n1 ZINC000339292767 386344926 /nfs/dbraw/zinc/34/49/26/386344926.db2.gz DVAVWNSKOAEZMG-CQSZACIVSA-N 0 1 242.322 2.456 20 0 BEADMN CCN(CC(=O)N1CCC1)Cc1ccccc1C ZINC000298473205 386348891 /nfs/dbraw/zinc/34/88/91/386348891.db2.gz QJSPYGCKHARDLG-UHFFFAOYSA-N 0 1 246.354 2.049 20 0 BEADMN CCN(CCc1cccs1)C(=O)c1cnc[nH]1 ZINC000265599703 386350826 /nfs/dbraw/zinc/35/08/26/386350826.db2.gz JITVHXGZLNNRGC-UHFFFAOYSA-N 0 1 249.339 2.176 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)c1ccsc1 ZINC000347310287 386351041 /nfs/dbraw/zinc/35/10/41/386351041.db2.gz OEYAZCWMZPNWRI-QMMMGPOBSA-N 0 1 249.339 2.200 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)nn1 ZINC000335272709 386362324 /nfs/dbraw/zinc/36/23/24/386362324.db2.gz PGISPHYGSIRKFJ-YPMHNXCESA-N 0 1 217.316 2.159 20 0 BEADMN CCC1CCN(Cc2cc(C)n(C)n2)CC1 ZINC000336691834 386364125 /nfs/dbraw/zinc/36/41/25/386364125.db2.gz CKTNNSNWMRXZGY-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@H](CCc1ccco1)N[C@H](C)c1ncnn1C ZINC000276714119 386368999 /nfs/dbraw/zinc/36/89/99/386368999.db2.gz XASRUPXNNIVOPU-GHMZBOCLSA-N 0 1 248.330 2.080 20 0 BEADMN COC[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000265787413 386370475 /nfs/dbraw/zinc/37/04/75/386370475.db2.gz LVENHDILTRHEEC-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1cnns1 ZINC000336701493 386370598 /nfs/dbraw/zinc/37/05/98/386370598.db2.gz XYOBZQSVVJUBBU-SECBINFHSA-N 0 1 213.350 2.406 20 0 BEADMN Cc1cn[nH]c1CNc1cn(C)nc1C(C)C ZINC000289900893 386371643 /nfs/dbraw/zinc/37/16/43/386371643.db2.gz QYWHHUBJUVRTOE-UHFFFAOYSA-N 0 1 233.319 2.187 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276813659 386377007 /nfs/dbraw/zinc/37/70/07/386377007.db2.gz UJEDAROPQLJGKX-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN COC[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000265845554 386379468 /nfs/dbraw/zinc/37/94/68/386379468.db2.gz XPABITFZOHISJC-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN CCN(C)[C@@H](C(=O)NC(C)C)c1ccccc1 ZINC000298764292 386382055 /nfs/dbraw/zinc/38/20/55/386382055.db2.gz DOKOEIOSFDJSHY-CYBMUJFWSA-N 0 1 234.343 2.204 20 0 BEADMN CCN1CCN(c2nc(C)c(C)s2)[C@@H](C)C1 ZINC000343298702 386333157 /nfs/dbraw/zinc/33/31/57/386333157.db2.gz ZTSWJESJVKNPCG-VIFPVBQESA-N 0 1 239.388 2.290 20 0 BEADMN CCSCC[C@H](C)N(C)C(=O)c1cnc[nH]1 ZINC000266455478 386436988 /nfs/dbraw/zinc/43/69/88/386436988.db2.gz FSDVSTZQBVQUQG-VIFPVBQESA-N 0 1 241.360 2.013 20 0 BEADMN Cc1oncc1NS(=O)(=O)CCC(C)(C)C ZINC000290518954 386447083 /nfs/dbraw/zinc/44/70/83/386447083.db2.gz MPHOYFHKXRHRCQ-UHFFFAOYSA-N 0 1 246.332 2.161 20 0 BEADMN CCc1nnc(CN(C)C(C2CC2)C2CC2)o1 ZINC000051579632 386392277 /nfs/dbraw/zinc/39/22/77/386392277.db2.gz SZSUPGJPFONISS-UHFFFAOYSA-N 0 1 235.331 2.252 20 0 BEADMN Cc1cncc(-c2nc([C@H](N)CC(C)C)no2)c1 ZINC000339386571 386397683 /nfs/dbraw/zinc/39/76/83/386397683.db2.gz FUYSFOOJAVQSRS-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN C[C@H](O)CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000336706023 386398423 /nfs/dbraw/zinc/39/84/23/386398423.db2.gz VDKFPVSDXQWQJD-GZBFAFLISA-N 0 1 249.354 2.219 20 0 BEADMN Cc1ccc(CN2CCc3cc[nH]c(=O)c3C2)o1 ZINC000277044927 386402916 /nfs/dbraw/zinc/40/29/16/386402916.db2.gz OEVXAJAQZRYZBJ-UHFFFAOYSA-N 0 1 244.294 2.247 20 0 BEADMN Cc1ccc(CNC[C@](C)(O)c2ccco2)o1 ZINC000266166074 386405179 /nfs/dbraw/zinc/40/51/79/386405179.db2.gz PLLQQGKTSQCHAR-ZDUSSCGKSA-N 0 1 235.283 2.178 20 0 BEADMN COC[C@@H](NCCc1ccccn1)c1ccco1 ZINC000299012470 386405401 /nfs/dbraw/zinc/40/54/01/386405401.db2.gz QUIYLPZTTQXXMS-CYBMUJFWSA-N 0 1 246.310 2.194 20 0 BEADMN c1c[nH]c(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000266168168 386405791 /nfs/dbraw/zinc/40/57/91/386405791.db2.gz QDSTTXMWFRVOAU-STQMWFEESA-N 0 1 227.311 2.131 20 0 BEADMN c1nc(CN2CCC[C@@H](C3CC3)C2)co1 ZINC000290209014 386406845 /nfs/dbraw/zinc/40/68/45/386406845.db2.gz QIHOSYYRHADBQV-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)NCc2cocn2)n[nH]1 ZINC000277114185 386407475 /nfs/dbraw/zinc/40/74/75/386407475.db2.gz XZUAFLLMEKOWJE-BDAKNGLRSA-N 0 1 249.318 2.157 20 0 BEADMN c1ccc(OCCN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299105362 386415843 /nfs/dbraw/zinc/41/58/43/386415843.db2.gz ONTDTTWWWIONAJ-HUUCEWRRSA-N 0 1 247.338 2.319 20 0 BEADMN CN(C([O-])=[NH+]c1ccncc1F)c1ccccc1 ZINC000647991737 386420110 /nfs/dbraw/zinc/42/01/10/386420110.db2.gz FVQZHRWIJXLWJX-UHFFFAOYSA-N 0 1 245.257 2.311 20 0 BEADMN CN(Cc1ccnn1C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000347473498 386432830 /nfs/dbraw/zinc/43/28/30/386432830.db2.gz XRWKYTCWKQKJER-HUUCEWRRSA-N 0 1 241.338 2.408 20 0 BEADMN CCc1ncc(CN2CCC(C)(OC)CC2)cn1 ZINC000414431936 386435627 /nfs/dbraw/zinc/43/56/27/386435627.db2.gz NXAROSRBHUBQBV-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN CCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277882993 386471954 /nfs/dbraw/zinc/47/19/54/386471954.db2.gz PGNHWQHUPHZZKA-RKDXNWHRSA-N 0 1 238.335 2.296 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000299614710 386472025 /nfs/dbraw/zinc/47/20/25/386472025.db2.gz ILASLLFETSVLES-NSHDSACASA-N 0 1 247.323 2.449 20 0 BEADMN CCCn1cc(CNCc2ccnc(C)c2)cn1 ZINC000391193440 386472697 /nfs/dbraw/zinc/47/26/97/386472697.db2.gz ZYVNFEHHKXOVDV-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN COCc1ccc(CNC(=O)C(F)(F)F)cc1 ZINC000299641669 386475508 /nfs/dbraw/zinc/47/55/08/386475508.db2.gz KMTAATSCANDWCO-UHFFFAOYSA-N 0 1 247.216 2.012 20 0 BEADMN C[C@H]1c2ccsc2CCN1C(=O)c1cnc[nH]1 ZINC000299625352 386475590 /nfs/dbraw/zinc/47/55/90/386475590.db2.gz KJFSMGGBMAOXBA-QMMMGPOBSA-N 0 1 247.323 2.231 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@H]1C ZINC000339565330 386477201 /nfs/dbraw/zinc/47/72/01/386477201.db2.gz UYFHOFAZTREERM-YFKTTZPYSA-N 0 1 226.364 2.020 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@H]1C ZINC000339562724 386478992 /nfs/dbraw/zinc/47/89/92/386478992.db2.gz ILJVINGUNICQJT-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)C)n[nH]1 ZINC000278047739 386486573 /nfs/dbraw/zinc/48/65/73/386486573.db2.gz ZTYXTDCBXYKMSQ-DTWKUNHWSA-N 0 1 238.335 2.151 20 0 BEADMN Cc1cnc(CCN2CCOCC2(C)C)c(C)c1 ZINC000335431172 386488565 /nfs/dbraw/zinc/48/85/65/386488565.db2.gz ZVQONFZEQHRHDD-UHFFFAOYSA-N 0 1 248.370 2.352 20 0 BEADMN CO[C@H](CN[C@H](C)c1cnccn1)CC(C)C ZINC000417358786 386490687 /nfs/dbraw/zinc/49/06/87/386490687.db2.gz IDOXOAPPUHKPIV-NEPJUHHUSA-N 0 1 237.347 2.188 20 0 BEADMN Cn1ccc(CNCc2cnn(C(C)(C)C)c2)c1 ZINC000267058134 386492128 /nfs/dbraw/zinc/49/21/28/386492128.db2.gz GEPCMZOJYLYXHA-UHFFFAOYSA-N 0 1 246.358 2.266 20 0 BEADMN Cc1ccc(CN2CCSC[C@H]2C)nc1 ZINC000335435649 386494510 /nfs/dbraw/zinc/49/45/10/386494510.db2.gz IJLCFTPDPGNDCC-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN Cc1csc(C2(NCC[C@H](C)O)CCC2)n1 ZINC000336779397 386496804 /nfs/dbraw/zinc/49/68/04/386496804.db2.gz OEBKOLRMRJLJDV-JTQLQIEISA-N 0 1 240.372 2.191 20 0 BEADMN Cc1cnn(CCN(C)[C@@H](C)c2cccnc2)c1 ZINC000336790965 386502905 /nfs/dbraw/zinc/50/29/05/386502905.db2.gz YVBJLOQICBSSCU-ZDUSSCGKSA-N 0 1 244.342 2.280 20 0 BEADMN Cc1nc(F)ccc1CN[C@@H](C)c1cnn(C)c1 ZINC000278293245 386506015 /nfs/dbraw/zinc/50/60/15/386506015.db2.gz BPIVSYFRFXWUEA-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)CCC2CC2)c1 ZINC000267231185 386514407 /nfs/dbraw/zinc/51/44/07/386514407.db2.gz JCNQGQZCRAVMED-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN COC(C)(C)[C@H](C)NCc1ccn(C(C)C)n1 ZINC000645411145 386515035 /nfs/dbraw/zinc/51/50/35/386515035.db2.gz ICCQJUHTTCKJCG-NSHDSACASA-N 0 1 239.363 2.367 20 0 BEADMN Cc1cnc(CN2CC[C@@H](CC3CC3)C2)nc1 ZINC000339674017 386516375 /nfs/dbraw/zinc/51/63/75/386516375.db2.gz JDIAPHPPFBXHDD-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN CSc1n[nH]c(NC(=O)CCC2CCC2)n1 ZINC000267263821 386519391 /nfs/dbraw/zinc/51/93/91/386519391.db2.gz OVVUGOWYONHKOZ-UHFFFAOYSA-N 0 1 240.332 2.045 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1cccnc1 ZINC000519644595 386522505 /nfs/dbraw/zinc/52/25/05/386522505.db2.gz ILTLTLXHQYRVBY-MDZLAQPJSA-N 0 1 248.326 2.155 20 0 BEADMN CC/C=C(\C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000267279103 386522639 /nfs/dbraw/zinc/52/26/39/386522639.db2.gz RSBOCFSZCPERDZ-IZZDOVSWSA-N 0 1 247.342 2.438 20 0 BEADMN CCC[C@@]1(C)C(=O)NCCN1[C@H]1C=CCCC1 ZINC000187351461 386526141 /nfs/dbraw/zinc/52/61/41/386526141.db2.gz LXNYFQRAQCYDRA-JSGCOSHPSA-N 0 1 236.359 2.086 20 0 BEADMN CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000519451953 386454016 /nfs/dbraw/zinc/45/40/16/386454016.db2.gz MUBXTRVOSQLOTD-HAQNSBGRSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@]1(CO)CCCN1Cc1nccs1 ZINC000277664528 386456091 /nfs/dbraw/zinc/45/60/91/386456091.db2.gz FDRSEQMIMXNRBJ-GFCCVEGCSA-N 0 1 240.372 2.270 20 0 BEADMN CC(C)[C@H]1CN(Cc2ccno2)CCS1 ZINC000266594969 386456345 /nfs/dbraw/zinc/45/63/45/386456345.db2.gz AZFWGAJZBIUZAM-LLVKDONJSA-N 0 1 226.345 2.248 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1cccs1 ZINC000299489659 386458292 /nfs/dbraw/zinc/45/82/92/386458292.db2.gz FMNSHPZBGIJKSW-ZJUUUORDSA-N 0 1 238.356 2.020 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1cn(C(C)C)nn1 ZINC000347578090 386458316 /nfs/dbraw/zinc/45/83/16/386458316.db2.gz CYZZZEJVJNMERX-CYBMUJFWSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1N(C[C@H]2CCC(C)(C)O2)CCOC1(C)C ZINC000336724256 386459283 /nfs/dbraw/zinc/45/92/83/386459283.db2.gz KUSINKCWXJKZRJ-NWDGAFQWSA-N 0 1 241.375 2.443 20 0 BEADMN CCc1cccc(NC(=O)[C@H]2CCCN2C)c1 ZINC000299487788 386460230 /nfs/dbraw/zinc/46/02/30/386460230.db2.gz IVFOWBIFAOGIBH-CYBMUJFWSA-N 0 1 232.327 2.282 20 0 BEADMN CCc1ncc(CN(C)CC[C@H]2CCCO2)cn1 ZINC000414437823 386463321 /nfs/dbraw/zinc/46/33/21/386463321.db2.gz QLBFKHDWVDIGMO-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN CC1(C)CCC(CNCC(F)(F)CN)CC1 ZINC000414921627 386579826 /nfs/dbraw/zinc/57/98/26/386579826.db2.gz AXABFLBHTYZTJF-UHFFFAOYSA-N 0 1 234.334 2.386 20 0 BEADMN Cc1ccc(NC(=O)N2CCN[C@@H](C)C2)cc1C ZINC000335416082 386583789 /nfs/dbraw/zinc/58/37/89/386583789.db2.gz REDRXDUFRAGJBY-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1nc(CSc2nccn2C(C)C)n[nH]1 ZINC000291796731 386584066 /nfs/dbraw/zinc/58/40/66/386584066.db2.gz XPONYAGXZDFLME-UHFFFAOYSA-N 0 1 237.332 2.183 20 0 BEADMN COc1ncncc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000648050184 386586699 /nfs/dbraw/zinc/58/66/99/386586699.db2.gz GHMATXZSODQLOZ-AAEUAGOBSA-N 0 1 247.342 2.250 20 0 BEADMN Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)nn1C ZINC000414459869 386590018 /nfs/dbraw/zinc/59/00/18/386590018.db2.gz CAKJJMVYHUXJLP-CABCVRRESA-N 0 1 245.370 2.349 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450647960 386590330 /nfs/dbraw/zinc/59/03/30/386590330.db2.gz UOOJNMNOUHRZMO-RISCZKNCSA-N 0 1 248.374 2.451 20 0 BEADMN COCC1(C)CN(Cc2ccoc2C)C1 ZINC000414459910 386590741 /nfs/dbraw/zinc/59/07/41/386590741.db2.gz JAXVKHOCFGOTKY-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN COCc1cc(CNC[C@@H](C)CC(F)F)no1 ZINC000648052251 386592339 /nfs/dbraw/zinc/59/23/39/386592339.db2.gz YRVYVZXRSWPACY-QMMMGPOBSA-N 0 1 248.273 2.202 20 0 BEADMN Cc1nc(C[S@@](=O)c2ccc(C)cc2C)n[nH]1 ZINC000291868965 386592727 /nfs/dbraw/zinc/59/27/27/386592727.db2.gz JTBFXQFNKSLTDF-QGZVFWFLSA-N 0 1 249.339 2.038 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(C)nn2)CC1(C)C ZINC000414460695 386595343 /nfs/dbraw/zinc/59/53/43/386595343.db2.gz DAWURHAHDUHWBJ-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000291895346 386596044 /nfs/dbraw/zinc/59/60/44/386596044.db2.gz KDCLUDWWADUEAI-QWHCGFSZSA-N 0 1 234.343 2.235 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)C[C@H]2C)cn1 ZINC000414451707 386534583 /nfs/dbraw/zinc/53/45/83/386534583.db2.gz ODKCLKMDJVVTLW-DGCLKSJQSA-N 0 1 249.358 2.038 20 0 BEADMN Cc1cnc([C@H](C)NCC2(O)CCC2)s1 ZINC000336755361 386537157 /nfs/dbraw/zinc/53/71/57/386537157.db2.gz IUBIALOLOLFLTN-VIFPVBQESA-N 0 1 226.345 2.017 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC2CCCC2)cc1 ZINC000228080572 386538641 /nfs/dbraw/zinc/53/86/41/386538641.db2.gz NCNPVOXZWSNGGP-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000643340820 386539619 /nfs/dbraw/zinc/53/96/19/386539619.db2.gz CERHJZLFCBKFOO-QMTHXVAHSA-N 0 1 245.326 2.276 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC(C)(C)C2)cc1 ZINC000228086207 386542553 /nfs/dbraw/zinc/54/25/53/386542553.db2.gz AGOPLUFGRFEXFP-ZDUSSCGKSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1cnccc1CCN1CC[C@@](C)(F)C1 ZINC000335463339 386548759 /nfs/dbraw/zinc/54/87/59/386548759.db2.gz QYXKTPZTAOERPD-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN Cn1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000291590510 386558961 /nfs/dbraw/zinc/55/89/61/386558961.db2.gz PSQUWNGDLWXAHP-ZIAGYGMSSA-N 0 1 248.370 2.415 20 0 BEADMN CCc1ncc(CN2CCC(CF)CC2)cn1 ZINC000414454649 386560604 /nfs/dbraw/zinc/56/06/04/386560604.db2.gz AAFZYZPPQCZDLM-UHFFFAOYSA-N 0 1 237.322 2.221 20 0 BEADMN CC[C@@H]1CCCN1Cc1cc(C(C)=O)no1 ZINC000519831136 386564919 /nfs/dbraw/zinc/56/49/19/386564919.db2.gz CBQQNEHQLWLQIV-SNVBAGLBSA-N 0 1 222.288 2.252 20 0 BEADMN CC[C@H]1CCCN1Cc1cc(C(C)=O)no1 ZINC000519831135 386565747 /nfs/dbraw/zinc/56/57/47/386565747.db2.gz CBQQNEHQLWLQIV-JTQLQIEISA-N 0 1 222.288 2.252 20 0 BEADMN COC(=O)c1occc1CN1C[C@H](C)[C@H](C)C1 ZINC000267653390 386567789 /nfs/dbraw/zinc/56/77/89/386567789.db2.gz LMVQUBAHDBTPMB-AOOOYVTPSA-N 0 1 237.299 2.154 20 0 BEADMN Cc1cnc(CCN2C[C@@H](C)OC[C@@H]2C)c(C)c1 ZINC000335407953 386568063 /nfs/dbraw/zinc/56/80/63/386568063.db2.gz KGJKAVUJTPPYFI-UONOGXRCSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1cnccc1CCN1CCOC(C)(C)C1 ZINC000335408770 386569670 /nfs/dbraw/zinc/56/96/70/386569670.db2.gz POOJFODUOCNCQX-UHFFFAOYSA-N 0 1 234.343 2.043 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)OC[C@@H]1C ZINC000335409286 386572037 /nfs/dbraw/zinc/57/20/37/386572037.db2.gz SNHOJPUZMZGXDL-STQMWFEESA-N 0 1 234.343 2.042 20 0 BEADMN Cc1nc(CSc2ncccc2C)n[nH]1 ZINC000291712679 386574010 /nfs/dbraw/zinc/57/40/10/386574010.db2.gz VSUDOEKROROALW-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1ccoc1CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268122943 386621788 /nfs/dbraw/zinc/62/17/88/386621788.db2.gz MTIWFTDOYHRYHQ-DGCLKSJQSA-N 0 1 234.343 2.160 20 0 BEADMN CCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C(C)C ZINC000268131089 386623198 /nfs/dbraw/zinc/62/31/98/386623198.db2.gz FNHFAMBGUCBPMH-SNVBAGLBSA-N 0 1 235.331 2.087 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000268175512 386627554 /nfs/dbraw/zinc/62/75/54/386627554.db2.gz BHFFTAJGOYJLOZ-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CN(Cc1cnc(Cl)s1)C1(CO)CCC1 ZINC000292193924 386632237 /nfs/dbraw/zinc/63/22/37/386632237.db2.gz RSFBCNRVWDTSII-UHFFFAOYSA-N 0 1 246.763 2.143 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C1CCC(C)(C)CC1 ZINC000335502825 386632232 /nfs/dbraw/zinc/63/22/32/386632232.db2.gz KFPJUUIMRXNHEK-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc(CN(C)c2ccc(C)cc2C)n[nH]1 ZINC000292200085 386635382 /nfs/dbraw/zinc/63/53/82/386635382.db2.gz OQXVIHADFRRNTK-UHFFFAOYSA-N 0 1 230.315 2.366 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC1CC=CC1 ZINC000638494338 386638108 /nfs/dbraw/zinc/63/81/08/386638108.db2.gz WDTPYACHYAARMS-CQSZACIVSA-N 0 1 244.338 2.077 20 0 BEADMN CN(Cc1ccc(F)cc1F)C1(CO)CCC1 ZINC000292232004 386638546 /nfs/dbraw/zinc/63/85/46/386638546.db2.gz VULOWSHLAZRFGD-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1noc([C@H](C)NCC2CCCC2)n1 ZINC000336758537 386638616 /nfs/dbraw/zinc/63/86/16/386638616.db2.gz KVOZWCATVWIAJT-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1ccoc1CN(C)CCOCC(F)F ZINC000292277263 386642772 /nfs/dbraw/zinc/64/27/72/386642772.db2.gz LGFAXOWXNXFQNI-UHFFFAOYSA-N 0 1 233.258 2.302 20 0 BEADMN Cc1ccc(CN[C@@H](CO)c2ccccc2)cn1 ZINC000157604996 386642899 /nfs/dbraw/zinc/64/28/99/386642899.db2.gz NAAMSTWOTKUVIJ-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1occc1CN(C)Cc1n[nH]c(C(C)C)n1 ZINC000292281026 386644734 /nfs/dbraw/zinc/64/47/34/386644734.db2.gz XXFJRYDFHQURFG-UHFFFAOYSA-N 0 1 248.330 2.462 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc(C)c1C ZINC000268361546 386646928 /nfs/dbraw/zinc/64/69/28/386646928.db2.gz KMVCJDXTWNUZNP-QWRGUYRKSA-N 0 1 235.331 2.335 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)[nH]1 ZINC000292297234 386647917 /nfs/dbraw/zinc/64/79/17/386647917.db2.gz ISOCHWNOZDDQRV-GFCCVEGCSA-N 0 1 247.342 2.369 20 0 BEADMN Cc1ccc(NC(=O)NCCN2CCC2)cc1C ZINC000426063964 386648379 /nfs/dbraw/zinc/64/83/79/386648379.db2.gz RFXQHWQPOWZJIG-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN CN(Cc1ccco1)Cc1cccc(N)c1 ZINC000032013113 386656316 /nfs/dbraw/zinc/65/63/16/386656316.db2.gz SNZCCUBSZHYRIB-UHFFFAOYSA-N 0 1 216.284 2.494 20 0 BEADMN CC(C)[C@H]1CN([C@@H](C)c2cnccn2)CCCO1 ZINC000339810296 386653492 /nfs/dbraw/zinc/65/34/92/386653492.db2.gz BFSSRGMTTXCGIP-GXTWGEPZSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)[C@@H]1CN([C@H](C)c2cnccn2)CCCO1 ZINC000339810298 386653641 /nfs/dbraw/zinc/65/36/41/386653641.db2.gz BFSSRGMTTXCGIP-OCCSQVGLSA-N 0 1 249.358 2.285 20 0 BEADMN CN(CCCC(C)(C)C)Cc1nnc[nH]1 ZINC000337184365 386654585 /nfs/dbraw/zinc/65/45/85/386654585.db2.gz NSOFKGNTJFHCAN-UHFFFAOYSA-N 0 1 210.325 2.063 20 0 BEADMN Cc1nc(CN2CC[C@@H]3OCC[C@@H]3C2)cs1 ZINC000335424349 386601480 /nfs/dbraw/zinc/60/14/80/386601480.db2.gz QGBSEKGVYXZXQQ-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN CCC(=O)CCCN(C)[C@H](C)c1cnn(C)c1 ZINC000450695823 386604549 /nfs/dbraw/zinc/60/45/49/386604549.db2.gz FNKNPNPECRHMET-LLVKDONJSA-N 0 1 237.347 2.172 20 0 BEADMN C[C@@H](O)CN(C)[C@H](C)c1ccc(F)cc1F ZINC000245762768 386605483 /nfs/dbraw/zinc/60/54/83/386605483.db2.gz IXNAYEJFHBJHHZ-RKDXNWHRSA-N 0 1 229.270 2.338 20 0 BEADMN CCC(C)(C)OCCNCc1ccc(C)nn1 ZINC000414463319 386609166 /nfs/dbraw/zinc/60/91/66/386609166.db2.gz RFMQXJHPAHMBFL-UHFFFAOYSA-N 0 1 237.347 2.080 20 0 BEADMN Cn1nccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278965884 386611530 /nfs/dbraw/zinc/61/15/30/386611530.db2.gz ZWWPITIVZIMSFE-VIFPVBQESA-N 0 1 247.264 2.194 20 0 BEADMN Cn1nccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278965878 386611603 /nfs/dbraw/zinc/61/16/03/386611603.db2.gz ZWWPITIVZIMSFE-SECBINFHSA-N 0 1 247.264 2.194 20 0 BEADMN CCC1(CC)CCN(c2ncnc3[nH]cnc32)C1 ZINC000268053056 386613714 /nfs/dbraw/zinc/61/37/14/386613714.db2.gz UNAKDLGQPGOYPC-UHFFFAOYSA-N 0 1 245.330 2.369 20 0 BEADMN c1csc(Cc2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c1 ZINC000644924089 386615192 /nfs/dbraw/zinc/61/51/92/386615192.db2.gz YXQZZKGRWOIVJW-QNSHHTMESA-N 0 1 247.323 2.145 20 0 BEADMN CCC1(CC)CCN(C(=O)c2cnc[nH]2)C1 ZINC000268065787 386617176 /nfs/dbraw/zinc/61/71/76/386617176.db2.gz HWHOJPMHZQVFCN-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CO[C@H](CN1CCCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000644926562 386618860 /nfs/dbraw/zinc/61/88/60/386618860.db2.gz VKRWMHFFUXQJLS-CHWSQXEVSA-N 0 1 249.358 2.362 20 0 BEADMN COC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000062954774 386660289 /nfs/dbraw/zinc/66/02/89/386660289.db2.gz PPMCUHCGOZAZCH-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCn1ccc(CNC/C=C/c2ccncc2)n1 ZINC000414476839 386662568 /nfs/dbraw/zinc/66/25/68/386662568.db2.gz BMEGLKNTJFYDAY-ONEGZZNKSA-N 0 1 242.326 2.101 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000097850385 386664303 /nfs/dbraw/zinc/66/43/03/386664303.db2.gz BDIXVVLPCLUMBH-GFCCVEGCSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1cnc(CN2[C@H](C)CC[C@@H]2C)nc1 ZINC000335524881 386668869 /nfs/dbraw/zinc/66/88/69/386668869.db2.gz JULSWZAXIHONGG-PHIMTYICSA-N 0 1 205.305 2.158 20 0 BEADMN C[C@H](CCCO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293694116 386669554 /nfs/dbraw/zinc/66/95/54/386669554.db2.gz WNBUXKSUUARCKS-SECBINFHSA-N 0 1 243.734 2.296 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019904985 386678936 /nfs/dbraw/zinc/67/89/36/386678936.db2.gz CDSJVOUCWAVNNI-MNOVXSKESA-N 0 1 247.342 2.259 20 0 BEADMN C[C@H](NCc1ncc(C2CC2)o1)[C@H]1CCOC1 ZINC000337229240 386679457 /nfs/dbraw/zinc/67/94/57/386679457.db2.gz UUYKJLVOTXEAOP-ONGXEEELSA-N 0 1 236.315 2.067 20 0 BEADMN CC[C@H]1CCN1Cc1cc(OC)cc(C)n1 ZINC000292493902 386679921 /nfs/dbraw/zinc/67/99/21/386679921.db2.gz TYUSRGOENZVXHD-LBPRGKRZSA-N 0 1 220.316 2.383 20 0 BEADMN Cc1ccc2c(c1)C[N@@H+](CCC[C@H](C)O)CCO2 ZINC000352834908 386680145 /nfs/dbraw/zinc/68/01/45/386680145.db2.gz YEKFOAFDXHQYIW-ZDUSSCGKSA-N 0 1 249.354 2.350 20 0 BEADMN CC(C)(C)CCCN1CCO[C@H](C(N)=O)C1 ZINC000330374964 386681130 /nfs/dbraw/zinc/68/11/30/386681130.db2.gz CKMVZEOQWYZINE-JTQLQIEISA-N 0 1 228.336 2.049 20 0 BEADMN Cc1ccnc(NCCc2ccccn2)c1 ZINC000043561381 386710647 /nfs/dbraw/zinc/71/06/47/386710647.db2.gz PLKMSFJVHBTXSJ-UHFFFAOYSA-N 0 1 213.284 2.440 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H]2C[C@@H](C)O)o1 ZINC000357012121 386687640 /nfs/dbraw/zinc/68/76/40/386687640.db2.gz VYGMEMRORAONGR-ADEWGFFLSA-N 0 1 238.331 2.279 20 0 BEADMN CCOC[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009757 386689840 /nfs/dbraw/zinc/68/98/40/386689840.db2.gz RJFDWAHZSFRKHO-NWDGAFQWSA-N 0 1 238.331 2.402 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1C[C@@H](O)c1ccccc1 ZINC000216598761 386699213 /nfs/dbraw/zinc/69/92/13/386699213.db2.gz PAVCWAMSFVAKSU-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1C[C@@H](O)c1ccccc1 ZINC000216598665 386700303 /nfs/dbraw/zinc/70/03/03/386700303.db2.gz PAVCWAMSFVAKSU-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H](COC)NCc1cn2ccc(C)cc2n1 ZINC000268839311 386705177 /nfs/dbraw/zinc/70/51/77/386705177.db2.gz FBXPAZAVASHFCZ-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN COCc1noc([C@H](C)N[C@H]2CCC[C@@H]2C)n1 ZINC000330411278 386706441 /nfs/dbraw/zinc/70/64/41/386706441.db2.gz YZBFWXLWXZITIH-GUBZILKMSA-N 0 1 239.319 2.055 20 0 BEADMN CC[C@H]1CCCCN1Cc1cncnc1OC ZINC000647998920 386731512 /nfs/dbraw/zinc/73/15/12/386731512.db2.gz PKZWXTWMYNZDIQ-LBPRGKRZSA-N 0 1 235.331 2.250 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268970426 386733029 /nfs/dbraw/zinc/73/30/29/386733029.db2.gz DNVVADSVRDBOHB-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN CCCN(CCC)Cc1cncnc1OC ZINC000647999008 386735659 /nfs/dbraw/zinc/73/56/59/386735659.db2.gz VBZJXJKUDNIHLT-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN COC[C@H](N[C@H](C)[C@H](C)OC)c1ccc(C)o1 ZINC000269003616 386735838 /nfs/dbraw/zinc/73/58/38/386735838.db2.gz VPAZKJYHKGVWHU-WOPDTQHZSA-N 0 1 241.331 2.289 20 0 BEADMN CC[C@H](C)CNc1ccc2nn[nH]c2c1 ZINC000093108194 386715339 /nfs/dbraw/zinc/71/53/39/386715339.db2.gz JKXGGTKGTKBYON-QMMMGPOBSA-N 0 1 204.277 2.416 20 0 BEADMN CC[C@H](C)CNc1ccc2n[nH]nc2c1 ZINC000093108194 386715343 /nfs/dbraw/zinc/71/53/43/386715343.db2.gz JKXGGTKGTKBYON-QMMMGPOBSA-N 0 1 204.277 2.416 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000520672254 386723107 /nfs/dbraw/zinc/72/31/07/386723107.db2.gz MTQSTUPGJXBJRO-RAIGVLPGSA-N 0 1 239.359 2.472 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000279713374 386723738 /nfs/dbraw/zinc/72/37/38/386723738.db2.gz APRXSFRXPWWCIZ-BXKDBHETSA-N 0 1 238.335 2.198 20 0 BEADMN CCOC[C@@H](C)NCc1cc(F)ccc1F ZINC000044690814 386728596 /nfs/dbraw/zinc/72/85/96/386728596.db2.gz BTZXQWYUXQRFPV-SECBINFHSA-N 0 1 229.270 2.479 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NCc1cnc[nH]1 ZINC000330513541 386744929 /nfs/dbraw/zinc/74/49/29/386744929.db2.gz CJYKYHPWBJLIFW-VIFPVBQESA-N 0 1 223.320 2.098 20 0 BEADMN CC(C)[C@@H](O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000292923022 386750585 /nfs/dbraw/zinc/75/05/85/386750585.db2.gz LWMVRZYLHNKWHM-AWEZNQCLSA-N 0 1 234.343 2.063 20 0 BEADMN c1cc(CCNCc2cocn2)cs1 ZINC000192282984 386751805 /nfs/dbraw/zinc/75/18/05/386751805.db2.gz FGSLOCFSHSILFL-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000334155947 386754017 /nfs/dbraw/zinc/75/40/17/386754017.db2.gz WZQYYVHFVHHKNJ-MWLCHTKSSA-N 0 1 207.321 2.339 20 0 BEADMN CCC(CC)(NCC1CCCC1)C(=O)OC ZINC000390443868 386759835 /nfs/dbraw/zinc/75/98/35/386759835.db2.gz WQOCBECJMJYCPZ-UHFFFAOYSA-N 0 1 227.348 2.498 20 0 BEADMN C[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)[C@H]1C ZINC000293003188 386765138 /nfs/dbraw/zinc/76/51/38/386765138.db2.gz NEIFKKKJXKDQJS-NEPJUHHUSA-N 0 1 246.354 2.229 20 0 BEADMN CSC[C@@H]1CCCN(Cc2n[nH]cc2C)C1 ZINC000292890060 386742673 /nfs/dbraw/zinc/74/26/73/386742673.db2.gz YTWIHLUWMPWWQK-LLVKDONJSA-N 0 1 239.388 2.293 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)cs2)[C@H](C)C1 ZINC000334144527 386742791 /nfs/dbraw/zinc/74/27/91/386742791.db2.gz HOIYHSLPHLHELK-MNOVXSKESA-N 0 1 240.372 2.451 20 0 BEADMN COCc1cnc(CNCC2(C)CC2)s1 ZINC000336744058 386795211 /nfs/dbraw/zinc/79/52/11/386795211.db2.gz YVIMZRRELDYWRV-UHFFFAOYSA-N 0 1 226.345 2.179 20 0 BEADMN CO[C@H](CNC(C)(C)c1nccs1)C1CC1 ZINC000400259617 533192401 /nfs/dbraw/zinc/19/24/01/533192401.db2.gz HKZOHYPJGBFPBO-SNVBAGLBSA-N 0 1 240.372 2.393 20 0 BEADMN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000330611412 386787938 /nfs/dbraw/zinc/78/79/38/386787938.db2.gz OUWPFVVQWAPBQK-WDEREUQCSA-N 0 1 239.363 2.103 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2F)[C@H]1C ZINC000293202029 386788672 /nfs/dbraw/zinc/78/86/72/386788672.db2.gz XSDLBMRGACJDTI-NRUUGDAUSA-N 0 1 223.291 2.199 20 0 BEADMN COc1ncncc1CN1CCC[C@@H](C)[C@@H]1C ZINC000648005250 386820621 /nfs/dbraw/zinc/82/06/21/386820621.db2.gz YKMFEMGRXIDVAL-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000280558534 386822430 /nfs/dbraw/zinc/82/24/30/386822430.db2.gz QBAWXTPEZFGWOB-VHSXEESVSA-N 0 1 236.319 2.268 20 0 BEADMN C[C@@H]1C[C@@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414508117 386797377 /nfs/dbraw/zinc/79/73/77/386797377.db2.gz QELYUFXVHRAMHO-HTQZYQBOSA-N 0 1 245.248 2.241 20 0 BEADMN C[C@@H](NC[C@H](O)C1CCCCC1)c1ncc[nH]1 ZINC000330597642 386804550 /nfs/dbraw/zinc/80/45/50/386804550.db2.gz AMKFTPMKXKZZEE-PWSUYJOCSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@H](CO)N(Cc1cscn1)CC1CCC1 ZINC000280375507 386807115 /nfs/dbraw/zinc/80/71/15/386807115.db2.gz KTRFNJAKTWHNQC-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN CO[C@@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293303920 386811452 /nfs/dbraw/zinc/81/14/52/386811452.db2.gz PTMHMWGNAHCVCW-QMMMGPOBSA-N 0 1 229.707 2.170 20 0 BEADMN Cc1cc(CC(=O)NCC2C(C)(C)C2(C)C)[nH]n1 ZINC000280423968 386813094 /nfs/dbraw/zinc/81/30/94/386813094.db2.gz GKYXIZAJABAWQC-UHFFFAOYSA-N 0 1 249.358 2.059 20 0 BEADMN CCC[C@@H](C)CCCN1CC(=O)N(C)C[C@H]1C ZINC001645338569 1172655814 /nfs/dbraw/zinc/65/58/14/1172655814.db2.gz RNNGUSIMWKSAEI-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314704700 386825649 /nfs/dbraw/zinc/82/56/49/386825649.db2.gz SEYQUTPQZNUEHR-HTQZYQBOSA-N 0 1 242.344 2.379 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000280583625 386826658 /nfs/dbraw/zinc/82/66/58/386826658.db2.gz PPFNURMZIOYUMQ-SNVBAGLBSA-N 0 1 235.331 2.308 20 0 BEADMN CC1(C)C(CNC(=O)CCc2cnc[nH]2)C1(C)C ZINC000280629269 386829700 /nfs/dbraw/zinc/82/97/00/386829700.db2.gz SKNXRGMLHWGOJF-UHFFFAOYSA-N 0 1 249.358 2.141 20 0 BEADMN Cc1nn(C)c2ncc(CN3[C@@H](C)C[C@@H]3C)cc12 ZINC000334778301 386830497 /nfs/dbraw/zinc/83/04/97/386830497.db2.gz QQPUHKZRBUFPCZ-UWVGGRQHSA-N 0 1 244.342 2.259 20 0 BEADMN CC(C)c1ncc(CN(C)CC[C@@H](C)O)s1 ZINC000093481138 386834274 /nfs/dbraw/zinc/83/42/74/386834274.db2.gz PXBDAZCEGVNCIL-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN c1coc(CN2CCC3(CC2)OCCCO3)c1 ZINC000293547331 386836715 /nfs/dbraw/zinc/83/67/15/386836715.db2.gz DONFGMQUAAITSA-UHFFFAOYSA-N 0 1 237.299 2.009 20 0 BEADMN CC(C)c1nc(CS[C@H]2CCCOC2)n[nH]1 ZINC000330199114 386838337 /nfs/dbraw/zinc/83/83/37/386838337.db2.gz UXLPCEFCUQEUNB-VIFPVBQESA-N 0 1 241.360 2.340 20 0 BEADMN CC[C@H]1CCN(c2nc(N)nc3c2CCCC3)C1 ZINC000645188412 386853522 /nfs/dbraw/zinc/85/35/22/386853522.db2.gz QXOMZFWEPAKOFL-JTQLQIEISA-N 0 1 246.358 2.004 20 0 BEADMN CC1(C)CCN(c2nc(N)nc3c2CCCC3)C1 ZINC000645181464 386846384 /nfs/dbraw/zinc/84/63/84/386846384.db2.gz HVYBLVMAKFWSGF-UHFFFAOYSA-N 0 1 246.358 2.004 20 0 BEADMN Cc1sccc1CN(C)[C@@H](C)C[S@](C)=O ZINC000293606887 386846954 /nfs/dbraw/zinc/84/69/54/386846954.db2.gz LMVHOQSEHYRTSH-VFZGTOFNSA-N 0 1 245.413 2.255 20 0 BEADMN CCN(CCO)c1ccnc2cc(F)ccc21 ZINC000301545676 386852709 /nfs/dbraw/zinc/85/27/09/386852709.db2.gz PLHOARVUUSLLLB-UHFFFAOYSA-N 0 1 234.274 2.193 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1ccc(Cl)cn1 ZINC000336745071 386892038 /nfs/dbraw/zinc/89/20/38/386892038.db2.gz AVKIYHYHPUFXBP-SCZZXKLOSA-N 0 1 226.707 2.175 20 0 BEADMN CCCN1C(=O)N=NC1SCC1CCC1 ZINC000331754314 386893548 /nfs/dbraw/zinc/89/35/48/386893548.db2.gz HCGYZYUOEOCILA-UHFFFAOYSA-N 0 1 227.333 2.286 20 0 BEADMN C[C@@H]1CC[C@H](C)N1c1nc(N)nc2c1CCCC2 ZINC000645192441 386854914 /nfs/dbraw/zinc/85/49/14/386854914.db2.gz MKINGYAHDIXFGI-AOOOYVTPSA-N 0 1 246.358 2.145 20 0 BEADMN CC[C@](C)(NCc1ccc(Cl)s1)C(N)=O ZINC000336675203 386854995 /nfs/dbraw/zinc/85/49/95/386854995.db2.gz HLJSWIZHTUWXNV-JTQLQIEISA-N 0 1 246.763 2.145 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN1CC(O)(C(F)F)C1 ZINC000425344147 386857144 /nfs/dbraw/zinc/85/71/44/386857144.db2.gz BNCOVEKZZRUBLV-QWRGUYRKSA-N 0 1 245.313 2.291 20 0 BEADMN CC(C)(C)c1nc(CN2CC[C@@](C)(F)C2)n[nH]1 ZINC000335742103 386859471 /nfs/dbraw/zinc/85/94/71/386859471.db2.gz WZVQHLCAOIGLBI-GFCCVEGCSA-N 0 1 240.326 2.036 20 0 BEADMN Cn1cc(CN2CC3(C2)CCCCC3)cn1 ZINC000334793042 386859948 /nfs/dbraw/zinc/85/99/48/386859948.db2.gz RHJUGDNHXYFGHX-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN CC(C)[C@H]1N(Cc2cc[nH]n2)CC12CCOCC2 ZINC000334828194 386864975 /nfs/dbraw/zinc/86/49/75/386864975.db2.gz YFRYMCGURIEVNZ-CYBMUJFWSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(F)(F)F ZINC000336739136 386870978 /nfs/dbraw/zinc/87/09/78/386870978.db2.gz KXBCOXNWVNKHAD-WEDXCCLWSA-N 0 1 236.281 2.010 20 0 BEADMN C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(F)(F)F ZINC000336739133 386872014 /nfs/dbraw/zinc/87/20/14/386872014.db2.gz KXBCOXNWVNKHAD-KHQFGBGNSA-N 0 1 236.281 2.010 20 0 BEADMN CC[C@@H]1CCN(Cc2ncc(C)cn2)[C@H]1C ZINC001645351331 1172656948 /nfs/dbraw/zinc/65/69/48/1172656948.db2.gz HXNYBZXHFXSVOR-NWDGAFQWSA-N 0 1 219.332 2.405 20 0 BEADMN CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)nn1 ZINC000335750680 386877522 /nfs/dbraw/zinc/87/75/22/386877522.db2.gz UEUSHRYZZSFPDQ-WCQYABFASA-N 0 1 248.374 2.408 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@@H]3CCC[C@H]32)nn1 ZINC000335750680 386877527 /nfs/dbraw/zinc/87/75/27/386877527.db2.gz UEUSHRYZZSFPDQ-WCQYABFASA-N 0 1 248.374 2.408 20 0 BEADMN Cc1occc1CN[C@H]1c2ccccc2C[C@H]1O ZINC000334836403 386877949 /nfs/dbraw/zinc/87/79/49/386877949.db2.gz ORJIGNCPKRAIKT-CABCVRRESA-N 0 1 243.306 2.336 20 0 BEADMN C[C@@H]1C[N@@H+](CC2=CCCOC2)CCC1(F)F ZINC000334839068 386882733 /nfs/dbraw/zinc/88/27/33/386882733.db2.gz LBLOYRZVLPGYBM-SNVBAGLBSA-N 0 1 231.286 2.310 20 0 BEADMN CSc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000358060114 386884996 /nfs/dbraw/zinc/88/49/96/386884996.db2.gz FSGOJAPXFPWEGY-LBPRGKRZSA-N 0 1 237.368 2.365 20 0 BEADMN C[C@@H](CO)N(C)c1ccnc2cc(F)ccc21 ZINC000301866454 386887473 /nfs/dbraw/zinc/88/74/73/386887473.db2.gz DNDXCEYTJCEJKU-VIFPVBQESA-N 0 1 234.274 2.191 20 0 BEADMN C[C@@H]1[C@H](c2nc(C3(N)CCCC3)no2)C1(F)F ZINC000334842313 386889377 /nfs/dbraw/zinc/88/93/77/386889377.db2.gz LCOJEDAOTSGHFB-RNFRBKRXSA-N 0 1 243.257 2.166 20 0 BEADMN Cc1cn[nH]c1CN[C@H](C)c1ccncc1F ZINC000352887006 386889649 /nfs/dbraw/zinc/88/96/49/386889649.db2.gz FRVWJQFGMSMRGW-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN CC(C)c1nnc(CNC2CC(C)(C)C2)[nH]1 ZINC000331745057 386890771 /nfs/dbraw/zinc/89/07/71/386890771.db2.gz CGMVBBSTAFCANS-UHFFFAOYSA-N 0 1 222.336 2.206 20 0 BEADMN CO[C@@H](C)CCNc1ccnc(C)c1Cl ZINC000336762309 386914271 /nfs/dbraw/zinc/91/42/71/386914271.db2.gz NQXSEOJNCGRTOE-QMMMGPOBSA-N 0 1 228.723 2.302 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1C[C@H]1C ZINC000331854579 386916384 /nfs/dbraw/zinc/91/63/84/386916384.db2.gz HWURBYWTGBMYAL-PSASIEDQSA-N 0 1 235.331 2.227 20 0 BEADMN Cc1coc(C)c1-c1nc(C2(N)CCC2)no1 ZINC000334853709 386904419 /nfs/dbraw/zinc/90/44/19/386904419.db2.gz MWRZRLNBJOBCKW-UHFFFAOYSA-N 0 1 233.271 2.284 20 0 BEADMN CC(C)C(C)(C)c1nc(C2(N)CCC2)no1 ZINC000334854871 386907047 /nfs/dbraw/zinc/90/70/47/386907047.db2.gz VABSHQCEZSNXSI-UHFFFAOYSA-N 0 1 223.320 2.341 20 0 BEADMN Cc1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000335767190 386910189 /nfs/dbraw/zinc/91/01/89/386910189.db2.gz DRHBRMNWKNFKNE-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN FC[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000334859933 386912668 /nfs/dbraw/zinc/91/26/68/386912668.db2.gz PRWHORUUYFKCLQ-VXGBXAGGSA-N 0 1 213.296 2.013 20 0 BEADMN C[C@H]1CCCCN(Cc2ncccn2)C1 ZINC000335774309 386922929 /nfs/dbraw/zinc/92/29/29/386922929.db2.gz KKONHPGNZPTERJ-NSHDSACASA-N 0 1 205.305 2.099 20 0 BEADMN C[C@]1(c2nc(C3(N)CCC3)no2)C[C@H]2C[C@H]2C1 ZINC000334867494 386925763 /nfs/dbraw/zinc/92/57/63/386925763.db2.gz XRSCJTFINHUFSX-GDGBQDQQSA-N 0 1 233.315 2.095 20 0 BEADMN COc1ncncc1CN(C(C)C)C1CCC1 ZINC000648010245 386927503 /nfs/dbraw/zinc/92/75/03/386927503.db2.gz QZBJKQNCHLMTPA-UHFFFAOYSA-N 0 1 235.331 2.248 20 0 BEADMN C[C@H](O)CN(C)c1ccnc2cc(F)ccc21 ZINC000302709041 386932406 /nfs/dbraw/zinc/93/24/06/386932406.db2.gz ZBCVLKJSEYCIMW-VIFPVBQESA-N 0 1 234.274 2.191 20 0 BEADMN C[C@@H](N[C@@H]1CC1(C)C)c1cc2n(n1)CCC2 ZINC000334821772 386952440 /nfs/dbraw/zinc/95/24/40/386952440.db2.gz BPSNRSGCJPIJDO-BXKDBHETSA-N 0 1 219.332 2.278 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1C ZINC000341697676 386952933 /nfs/dbraw/zinc/95/29/33/386952933.db2.gz OLDCRUBBDWOQQR-GRYCIOLGSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)nn1 ZINC000334825510 386956672 /nfs/dbraw/zinc/95/66/72/386956672.db2.gz MOGJLTPKVWULSD-QWRGUYRKSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@]2(C)CO)o1 ZINC000331148013 386974391 /nfs/dbraw/zinc/97/43/91/386974391.db2.gz HPHRMZBOXCCQMF-LOWVWBTDSA-N 0 1 238.331 2.185 20 0 BEADMN Cn1cnc2c1CCN([C@H]1CCC(C)(C)C1)C2 ZINC000368495263 386977998 /nfs/dbraw/zinc/97/79/98/386977998.db2.gz SVOHSLKJUZSFBE-NSHDSACASA-N 0 1 233.359 2.357 20 0 BEADMN FC(F)OC[C@H]1CCN(Cc2cccnc2)C1 ZINC000353004618 386987652 /nfs/dbraw/zinc/98/76/52/386987652.db2.gz AWBPPGVGDFQSCF-NSHDSACASA-N 0 1 242.269 2.143 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)cs1 ZINC000417396870 386991412 /nfs/dbraw/zinc/99/14/12/386991412.db2.gz GIPYRZPZBGUPQN-ZOFUNIGCSA-N 0 1 226.345 2.016 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358707741 387001251 /nfs/dbraw/zinc/00/12/51/387001251.db2.gz MECARAHZHJHJTD-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN COc1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)ccn1 ZINC000368691340 387005834 /nfs/dbraw/zinc/00/58/34/387005834.db2.gz CTIVWETZONWKNZ-CHWSQXEVSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1cnc(C(=O)Nc2ccc(F)cc2)c(O)c1 ZINC000358746440 387006059 /nfs/dbraw/zinc/00/60/59/387006059.db2.gz VDOSFMQRNACJDR-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN c1nc(CN2CCSC[C@@H]2C2CCC2)c[nH]1 ZINC000334954293 387032212 /nfs/dbraw/zinc/03/22/12/387032212.db2.gz ZMQQLALHSXZVDJ-GFCCVEGCSA-N 0 1 237.372 2.127 20 0 BEADMN CCN(Cc1cncn1C(C)C)C[C@@H](C)OC ZINC000425387007 387036556 /nfs/dbraw/zinc/03/65/56/387036556.db2.gz URJPHMFOLFRRDS-GFCCVEGCSA-N 0 1 239.363 2.321 20 0 BEADMN Cc1ccc(C)c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 ZINC000070076052 387043028 /nfs/dbraw/zinc/04/30/28/387043028.db2.gz XSMAOUYMKCZVGI-CHWSQXEVSA-N 0 1 246.354 2.126 20 0 BEADMN CCCCCN1CCc2ccccc2[C@@H]1C(N)=O ZINC000369412644 387043638 /nfs/dbraw/zinc/04/36/38/387043638.db2.gz SHTAMIZOJNMMRM-CQSZACIVSA-N 0 1 246.354 2.261 20 0 BEADMN CC(C)c1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)on1 ZINC000648452078 387046240 /nfs/dbraw/zinc/04/62/40/387046240.db2.gz FBULLWJTMBHHGC-GIPNMCIBSA-N 0 1 238.331 2.454 20 0 BEADMN Cc1ocnc1-c1nc(C2(N)CCCCC2)no1 ZINC000333634026 387048443 /nfs/dbraw/zinc/04/84/43/387048443.db2.gz WFNDIYYZWQIYJT-UHFFFAOYSA-N 0 1 248.286 2.151 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CC1CC1 ZINC000096867279 387055482 /nfs/dbraw/zinc/05/54/82/387055482.db2.gz DYUSIJWRDNYQSU-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1c[nH]nc1CNCc1cccs1 ZINC000284096092 387064449 /nfs/dbraw/zinc/06/44/49/387064449.db2.gz PVZHPWLFRFAXIM-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN F[C@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000336223306 387064485 /nfs/dbraw/zinc/06/44/85/387064485.db2.gz UKZUUZDXXLFSIO-NSHDSACASA-N 0 1 219.263 2.107 20 0 BEADMN CC1(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000333055813 387014346 /nfs/dbraw/zinc/01/43/46/387014346.db2.gz HSVUBNMCTRHJKU-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H]2C(C)C)o1 ZINC000117348075 387018421 /nfs/dbraw/zinc/01/84/21/387018421.db2.gz VHRFVBFXTRZLSR-LLVKDONJSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)c1cnc[nH]1 ZINC000334942329 387020971 /nfs/dbraw/zinc/02/09/71/387020971.db2.gz DFVLXZAMBYSIDY-JTQLQIEISA-N 0 1 229.283 2.243 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2c[nH]cn2)CC(C)(C)C1 ZINC000334979848 387066084 /nfs/dbraw/zinc/06/60/84/387066084.db2.gz PVHNMAVUCIKXBZ-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN Cc1ncccc1CN1CC(CC(F)F)C1 ZINC000425365153 387022036 /nfs/dbraw/zinc/02/20/36/387022036.db2.gz IZWHBIQXZGCKNG-UHFFFAOYSA-N 0 1 226.270 2.477 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1(C)C)c1cc2n(n1)CCC2 ZINC000334882447 387025915 /nfs/dbraw/zinc/02/59/15/387025915.db2.gz KEUQQKUDQKLVKA-ZWNOBZJWSA-N 0 1 249.358 2.047 20 0 BEADMN COC(=O)C1(C)CN(Cc2cc(C)ccc2C)C1 ZINC000425369602 387026056 /nfs/dbraw/zinc/02/60/56/387026056.db2.gz ABUAZCBNKXHPDY-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN Cc1nnsc1CN(C)C1CCCC1 ZINC000514650019 387026816 /nfs/dbraw/zinc/02/68/16/387026816.db2.gz ZIWBHAOSVBXPBW-UHFFFAOYSA-N 0 1 211.334 2.221 20 0 BEADMN COC(=O)C1(C)CN(CCc2cccc(C)c2)C1 ZINC000425376553 387029462 /nfs/dbraw/zinc/02/94/62/387029462.db2.gz XHXSVKIGVLWNHX-UHFFFAOYSA-N 0 1 247.338 2.032 20 0 BEADMN CC/C=C/CCN1CC[S@](=O)C[C@@H](C)C1 ZINC000369800790 387069580 /nfs/dbraw/zinc/06/95/80/387069580.db2.gz XJWNQAYXJLAISN-KALODWDDSA-N 0 1 229.389 2.043 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CCC1CCC1 ZINC000359219739 387070455 /nfs/dbraw/zinc/07/04/55/387070455.db2.gz PULNKLGRKMJANR-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN COC[C@H](C)N1CCC[C@@H]1c1nccs1 ZINC000369825952 387071651 /nfs/dbraw/zinc/07/16/51/387071651.db2.gz NHGYZAUVXGOLFE-VHSXEESVSA-N 0 1 226.345 2.315 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@]1(C)CC ZINC000359240999 387072651 /nfs/dbraw/zinc/07/26/51/387072651.db2.gz ZJFUDKZQDVJOIV-DYEKYZERSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CCC1CCCCC1)C(=O)Cc1ccn[nH]1 ZINC000121671533 387079580 /nfs/dbraw/zinc/07/95/80/387079580.db2.gz JULGXGCNQGMQQH-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000118949618 387082918 /nfs/dbraw/zinc/08/29/18/387082918.db2.gz YJQOQRVXJZABRW-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1n[nH]c(C)c1CN(C)C[C@H]1CCCCO1 ZINC000118949618 387082922 /nfs/dbraw/zinc/08/29/22/387082922.db2.gz YJQOQRVXJZABRW-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1occc1CN[C@@H]1CCCc2c1cnn2C ZINC000321279207 387083906 /nfs/dbraw/zinc/08/39/06/387083906.db2.gz SMZDCOCVXRYJBP-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C ZINC000334999379 387092884 /nfs/dbraw/zinc/09/28/84/387092884.db2.gz JOIZKAYTQYLNBY-AOOOYVTPSA-N 0 1 243.310 2.291 20 0 BEADMN CCc1nc(CNCc2cc(C)cc(C)c2)n[nH]1 ZINC000392457150 387093989 /nfs/dbraw/zinc/09/39/89/387093989.db2.gz MTDSEIIPHMIEDZ-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN Cc1n[nH]cc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000335002966 387096234 /nfs/dbraw/zinc/09/62/34/387096234.db2.gz CQCRTSOGOYOIBE-JOYOIKCWSA-N 0 1 207.321 2.339 20 0 BEADMN CCCCCN1CC[S@@](=O)CC[C@H]1C ZINC000370204087 387096994 /nfs/dbraw/zinc/09/69/94/387096994.db2.gz MRAGSKNGDWURHV-RISCZKNCSA-N 0 1 217.378 2.020 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccon1 ZINC000186374050 387099818 /nfs/dbraw/zinc/09/98/18/387099818.db2.gz ODWHTHIBAXYRSZ-STQMWFEESA-N 0 1 238.331 2.358 20 0 BEADMN Cc1cc(C)n(CCN2CCC[C@](C)(F)C2)n1 ZINC000336270089 387104581 /nfs/dbraw/zinc/10/45/81/387104581.db2.gz JKBZPZBRNAWXBX-ZDUSSCGKSA-N 0 1 239.338 2.324 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@@H](O)[C@H](C)C2)c1 ZINC000336272874 387106149 /nfs/dbraw/zinc/10/61/49/387106149.db2.gz HFIVDISDMNKRAZ-IAQYHMDHSA-N 0 1 247.338 2.092 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[NH+]1CCSCC1 ZINC000085828025 387109716 /nfs/dbraw/zinc/10/97/16/387109716.db2.gz BGNXICLEAYGMFJ-QMMMGPOBSA-N 0 1 241.312 2.088 20 0 BEADMN Cc1ccc([C@@]2(C)CC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000336286586 387120080 /nfs/dbraw/zinc/12/00/80/387120080.db2.gz HMMOQWOBYLFLAX-AWEZNQCLSA-N 0 1 233.311 2.043 20 0 BEADMN c1nn2ccccc2c1CNCc1ccncc1 ZINC000071372729 387120462 /nfs/dbraw/zinc/12/04/62/387120462.db2.gz IYJGCBAZBFMPHX-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359558543 387123649 /nfs/dbraw/zinc/12/36/49/387123649.db2.gz OOPSAXIHUVKBGX-NTZNESFSSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H]1CCCCN(C(=O)c2coc(CN)c2)C1 ZINC000335029690 387125061 /nfs/dbraw/zinc/12/50/61/387125061.db2.gz PPDXESARCSTPCS-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN Cc1cc(CN2CCN(C3CC3)CC2)cs1 ZINC000336228499 387067894 /nfs/dbraw/zinc/06/78/94/387067894.db2.gz XLNAZLAPHMWCLG-UHFFFAOYSA-N 0 1 236.384 2.337 20 0 BEADMN Cc1nocc1CN1CCC(C(F)F)CC1 ZINC000336322585 387149926 /nfs/dbraw/zinc/14/99/26/387149926.db2.gz AZRJPNDLPZURQL-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000418125195 387150069 /nfs/dbraw/zinc/15/00/69/387150069.db2.gz NGMUUEMZABYBNK-JBLDHEPKSA-N 0 1 236.363 2.083 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cn1 ZINC000418125393 387150244 /nfs/dbraw/zinc/15/02/44/387150244.db2.gz JFJJQJBWGSQVKS-MVWJERBFSA-N 0 1 219.332 2.261 20 0 BEADMN CC(C)N(Cc1nc2ccccc2[nH]1)C[C@@H](C)O ZINC000120022927 387150508 /nfs/dbraw/zinc/15/05/08/387150508.db2.gz SUUKZRMIKIFDFP-LLVKDONJSA-N 0 1 247.342 2.154 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000120005599 387151857 /nfs/dbraw/zinc/15/18/57/387151857.db2.gz ASUHQUXGGIFBCN-QWRGUYRKSA-N 0 1 236.363 2.378 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@@H](C)C2)o1 ZINC000336326067 387154893 /nfs/dbraw/zinc/15/48/93/387154893.db2.gz FAQSKHXQLREQTF-BDAKNGLRSA-N 0 1 209.293 2.171 20 0 BEADMN CC[C@@H](C)CN1CCOC[C@H]1CC(F)F ZINC000353268874 387155676 /nfs/dbraw/zinc/15/56/76/387155676.db2.gz SQTGPBULQFJDKK-NXEZZACHSA-N 0 1 221.291 2.389 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](CC3CC3)C2)n[nH]1 ZINC000359729629 387156000 /nfs/dbraw/zinc/15/60/00/387156000.db2.gz NEDKTBDTEIIXGT-LLVKDONJSA-N 0 1 247.342 2.234 20 0 BEADMN Cc1ccsc1CNCc1n[nH]cc1C ZINC000290019012 387156053 /nfs/dbraw/zinc/15/60/53/387156053.db2.gz UYZDNVOSODGRGI-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CSCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000161231744 387158103 /nfs/dbraw/zinc/15/81/03/387158103.db2.gz YZSUVADTEUMKIP-UHFFFAOYSA-N 0 1 239.340 2.180 20 0 BEADMN CC[C@H](C)NCc1nn(C)cc1Br ZINC000393322844 387159435 /nfs/dbraw/zinc/15/94/35/387159435.db2.gz GGZLXWRUQLBGIL-ZETCQYMHSA-N 0 1 246.152 2.071 20 0 BEADMN CC(C)CNC(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000186988379 387160355 /nfs/dbraw/zinc/16/03/55/387160355.db2.gz KCCJOYYRGIYPBH-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CN(Cc1cnn(CC(F)F)c1)[C@@H]1CC1(C)C ZINC000353227726 387161500 /nfs/dbraw/zinc/16/15/00/387161500.db2.gz AMEIYMQQPSNHBD-SNVBAGLBSA-N 0 1 243.301 2.379 20 0 BEADMN CCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371177267 387162350 /nfs/dbraw/zinc/16/23/50/387162350.db2.gz RVWANICAZBQCCD-UHFFFAOYSA-N 0 1 235.331 2.306 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000187371360 387193075 /nfs/dbraw/zinc/19/30/75/387193075.db2.gz IHQDLHSFOHZNOH-VHSXEESVSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000187371360 387193081 /nfs/dbraw/zinc/19/30/81/387193081.db2.gz IHQDLHSFOHZNOH-VHSXEESVSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000187371376 387193162 /nfs/dbraw/zinc/19/31/62/387193162.db2.gz IHQDLHSFOHZNOH-NXEZZACHSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000187371376 387193170 /nfs/dbraw/zinc/19/31/70/387193170.db2.gz IHQDLHSFOHZNOH-NXEZZACHSA-N 0 1 248.330 2.303 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC=C(C)C1 ZINC000352414668 387167115 /nfs/dbraw/zinc/16/71/15/387167115.db2.gz UXPZJNZLAOZKJF-GFCCVEGCSA-N 0 1 225.332 2.226 20 0 BEADMN CC[C@@H](NC(=O)CN1CC[C@H](C)C1)C(C)(C)C ZINC000571774752 387167173 /nfs/dbraw/zinc/16/71/73/387167173.db2.gz RKTRXFJRUXJYAP-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](NC(=O)CN1CC[C@H](C)C1)C(C)(C)C ZINC000571774753 387168236 /nfs/dbraw/zinc/16/82/36/387168236.db2.gz RKTRXFJRUXJYAP-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN FC(F)C[C@H]1COCCN1CC1CCC1 ZINC000353267410 387168773 /nfs/dbraw/zinc/16/87/73/387168773.db2.gz NEOCQZFSMKPSBJ-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN COC(=O)[C@H](C)N(CC[C@@H](C)F)C1CCC1 ZINC000352412179 387169337 /nfs/dbraw/zinc/16/93/37/387169337.db2.gz CQPZYCYDTRMKCV-ZJUUUORDSA-N 0 1 231.311 2.151 20 0 BEADMN CCCCNC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193203864 387179195 /nfs/dbraw/zinc/17/91/95/387179195.db2.gz LDIDBWLJCQGKRL-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193204883 387179954 /nfs/dbraw/zinc/17/99/54/387179954.db2.gz XGWAVMWDJDAKDP-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@@H]2CC2(C)C)nc1 ZINC000352420843 387182331 /nfs/dbraw/zinc/18/23/31/387182331.db2.gz HNAUUKFPLULAHG-GFCCVEGCSA-N 0 1 248.326 2.099 20 0 BEADMN COCC[N@@H+](CC[C@H](C)F)Cc1cncs1 ZINC000352421333 387184673 /nfs/dbraw/zinc/18/46/73/387184673.db2.gz KPCVHIGTWMQFJN-JTQLQIEISA-N 0 1 246.351 2.340 20 0 BEADMN COCCN(CC[C@H](C)F)Cc1cncs1 ZINC000352421333 387184677 /nfs/dbraw/zinc/18/46/77/387184677.db2.gz KPCVHIGTWMQFJN-JTQLQIEISA-N 0 1 246.351 2.340 20 0 BEADMN C[C@H](F)CCN1CCC[C@@H]1c1cc[nH]n1 ZINC000352422441 387187280 /nfs/dbraw/zinc/18/72/80/387187280.db2.gz ROMLXBCULVUBIX-GXSJLCMTSA-N 0 1 211.284 2.295 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(F)cc(F)c1 ZINC000070940169 387191346 /nfs/dbraw/zinc/19/13/46/387191346.db2.gz GIIRSVLFQFXSRX-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN CC(C)c1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)n[nH]1 ZINC000336307796 387135922 /nfs/dbraw/zinc/13/59/22/387135922.db2.gz DWBPOSNSWCPITC-AOOOYVTPSA-N 0 1 234.347 2.016 20 0 BEADMN Cc1nc(CN(C)CC2(O)CCC2)sc1C ZINC000353472399 387210157 /nfs/dbraw/zinc/21/01/57/387210157.db2.gz UCWWNVAIOMVRDM-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN C[C@@H](CCC1CC1)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187837317 387215108 /nfs/dbraw/zinc/21/51/08/387215108.db2.gz AQEREPKBTDHLOE-PGUXBMHVSA-N 0 1 231.405 2.264 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000187835881 387216625 /nfs/dbraw/zinc/21/66/25/387216625.db2.gz ARHUNRPTFAJIQZ-YGRLFVJLSA-N 0 1 219.394 2.121 20 0 BEADMN OC[C@@H](NCc1cccc(O)c1)c1ccccc1 ZINC000062999552 387217749 /nfs/dbraw/zinc/21/77/49/387217749.db2.gz HKMZEXCNWFEVOO-OAHLLOKOSA-N 0 1 243.306 2.215 20 0 BEADMN C[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1 ZINC000187910207 387218017 /nfs/dbraw/zinc/21/80/17/387218017.db2.gz CJPMADWKWJZJGC-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cncc(CN2CCOCC3(CCC3)C2)c1 ZINC000336421970 387253214 /nfs/dbraw/zinc/25/32/14/387253214.db2.gz YWDHWCAGTXDVKB-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN O=C1NCCCC[C@H]1N1CCC[C@@H]1c1ccco1 ZINC000120319895 387231986 /nfs/dbraw/zinc/23/19/86/387231986.db2.gz IBIPPXBXKZGGEJ-VXGBXAGGSA-N 0 1 248.326 2.085 20 0 BEADMN CSCCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000353575522 387232348 /nfs/dbraw/zinc/23/23/48/387232348.db2.gz OJJISYXRBQFVSM-SNVBAGLBSA-N 0 1 241.360 2.268 20 0 BEADMN CSCCCN1CCC[C@@H]1c1nc(C)no1 ZINC000353575522 387232353 /nfs/dbraw/zinc/23/23/53/387232353.db2.gz OJJISYXRBQFVSM-SNVBAGLBSA-N 0 1 241.360 2.268 20 0 BEADMN CCc1cc(C(=O)N(CC2CC2)CC2CC2)n[nH]1 ZINC000360163563 387235801 /nfs/dbraw/zinc/23/58/01/387235801.db2.gz PCMBWRCLWOUURJ-UHFFFAOYSA-N 0 1 247.342 2.234 20 0 BEADMN Cc1ccnc([C@@H](C)N[C@@H](CO)CC(F)F)c1 ZINC000353588314 387236012 /nfs/dbraw/zinc/23/60/12/387236012.db2.gz LSDPCXFSHJLTDM-NXEZZACHSA-N 0 1 244.285 2.057 20 0 BEADMN COC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000353613889 387240730 /nfs/dbraw/zinc/24/07/30/387240730.db2.gz QHOKUNCZTJBOMP-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN CO[C@H](C)CN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000360214970 387246177 /nfs/dbraw/zinc/24/61/77/387246177.db2.gz YIXIVSWHTKQOLD-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN CCCn1cc(CN2CCC23CCC3)cn1 ZINC000353650707 387247750 /nfs/dbraw/zinc/24/77/50/387247750.db2.gz XMVMVKOEEKAMGB-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1ccc(CCCN2CCO[C@H](C)[C@@H]2C)cn1 ZINC000353646033 387247985 /nfs/dbraw/zinc/24/79/85/387247985.db2.gz BJZBIWVUAQBEJY-UONOGXRCSA-N 0 1 248.370 2.432 20 0 BEADMN Fc1cccc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000187398872 387195436 /nfs/dbraw/zinc/19/54/36/387195436.db2.gz XPAQQTWIHAMXPO-UHFFFAOYSA-N 0 1 232.262 2.433 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)C[C@@H]2C)nn1 ZINC000336366571 387197068 /nfs/dbraw/zinc/19/70/68/387197068.db2.gz HZHDKOUEBMGTDY-QWRGUYRKSA-N 0 1 222.336 2.089 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NCC(F)(F)CN ZINC000423347405 387197936 /nfs/dbraw/zinc/19/79/36/387197936.db2.gz QJJOGCOJFDDFOT-GHMZBOCLSA-N 0 1 234.334 2.385 20 0 BEADMN O=C(c1ccc2cncn2c1)N1CCC12CCC2 ZINC000336368116 387198417 /nfs/dbraw/zinc/19/84/17/387198417.db2.gz IXPHQEXODNOYJF-UHFFFAOYSA-N 0 1 241.294 2.103 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCCC ZINC000162046865 387309921 /nfs/dbraw/zinc/30/99/21/387309921.db2.gz MTXUKORJPXWQGR-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN CCOC[C@H](NCc1cc(C)on1)C(C)C ZINC000286066083 387311466 /nfs/dbraw/zinc/31/14/66/387311466.db2.gz JHGLALVHANVVAU-LBPRGKRZSA-N 0 1 226.320 2.134 20 0 BEADMN O=C1CCC[C@@H]1[C@H]1COCCN1[C@H]1C=CCCC1 ZINC000372613920 387314486 /nfs/dbraw/zinc/31/44/86/387314486.db2.gz TVBGKDMVPFROMJ-BFHYXJOUSA-N 0 1 249.354 2.165 20 0 BEADMN CC[C@@H](CN[C@@H](C)c1nccs1)OC ZINC000290062318 387259688 /nfs/dbraw/zinc/25/96/88/387259688.db2.gz FRJSKJYABQNMKW-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2cccc(F)c2)c1C ZINC000336435334 387260671 /nfs/dbraw/zinc/26/06/71/387260671.db2.gz DCJCRSJGGNHBJY-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN Cc1csc(CN[C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000230314594 387261079 /nfs/dbraw/zinc/26/10/79/387261079.db2.gz BPTIMMXHFPYGHV-ZYHUDNBSSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1cnc(CN(C)CCCOC(C)C)cn1 ZINC000353712672 387262257 /nfs/dbraw/zinc/26/22/57/387262257.db2.gz OYPXBAUIQUJUFH-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN CC[C@](C)(NCc1cc2ccccc2o1)C(N)=O ZINC000301636569 387263921 /nfs/dbraw/zinc/26/39/21/387263921.db2.gz GRCSONJRAOWVJP-AWEZNQCLSA-N 0 1 246.310 2.176 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000162096963 387317355 /nfs/dbraw/zinc/31/73/55/387317355.db2.gz RXGWHQLORSVUOE-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000336441459 387270968 /nfs/dbraw/zinc/27/09/68/387270968.db2.gz BWJITIGSVFBLOK-UHFFFAOYSA-N 0 1 229.283 2.169 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CCCC[C@H]2O)s1 ZINC000336453050 387280323 /nfs/dbraw/zinc/28/03/23/387280323.db2.gz QMZGPNMQKUYJLX-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN CC1(C)CCCCN(Cc2ncccn2)C1 ZINC000336456803 387282256 /nfs/dbraw/zinc/28/22/56/387282256.db2.gz PIDXLCIAPLNULU-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN CSc1cccc(F)c1CN[C@@H]1CCOC1 ZINC000285761619 387282926 /nfs/dbraw/zinc/28/29/26/387282926.db2.gz ZKXFZGUPOLWYNN-SECBINFHSA-N 0 1 241.331 2.426 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCCc1ccncc1 ZINC000360435355 387283634 /nfs/dbraw/zinc/28/36/34/387283634.db2.gz DIWXFGMREWIPLC-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN COC(=O)c1ccc(CN2CC=C(C)CC2)nc1 ZINC000285734391 387283773 /nfs/dbraw/zinc/28/37/73/387283773.db2.gz URDNQDNVDCXMBV-UHFFFAOYSA-N 0 1 246.310 2.020 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)c1ccccc1 ZINC000572254595 387287785 /nfs/dbraw/zinc/28/77/85/387287785.db2.gz TWCDMPLZHLDLQZ-LLVKDONJSA-N 0 1 243.310 2.251 20 0 BEADMN Cc1occc1CN(C)[C@H]1CCCOC1 ZINC000336463833 387292370 /nfs/dbraw/zinc/29/23/70/387292370.db2.gz SEHVLFIODLBDRK-LBPRGKRZSA-N 0 1 209.289 2.199 20 0 BEADMN C[C@H]1[C@H](C)[N@H+](C)CCN1CCCc1ccncc1 ZINC000360476730 387295649 /nfs/dbraw/zinc/29/56/49/387295649.db2.gz WPJREALYFLYLDQ-KBPBESRZSA-N 0 1 247.386 2.039 20 0 BEADMN FC1(F)CCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000514928381 387307937 /nfs/dbraw/zinc/30/79/37/387307937.db2.gz YSCWKMIMRGQXMD-UHFFFAOYSA-N 0 1 237.253 2.404 20 0 BEADMN C(CN1CCOC2(CCCC2)C1)OCC1CC1 ZINC000158380252 387309065 /nfs/dbraw/zinc/30/90/65/387309065.db2.gz XYOMTIIJGUFBKY-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN c1snnc1CNC[C@H]1C[C@@H]1c1ccccc1 ZINC000354296005 387358010 /nfs/dbraw/zinc/35/80/10/387358010.db2.gz LCRBVVMZRIJVAF-DGCLKSJQSA-N 0 1 245.351 2.431 20 0 BEADMN CC[C@H]1C[C@H](NCC(C)(F)F)CCO1 ZINC000648594441 387367150 /nfs/dbraw/zinc/36/71/50/387367150.db2.gz PWWSJXFLWPLUJO-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000336548381 387370994 /nfs/dbraw/zinc/37/09/94/387370994.db2.gz GEZQXCBZEWNYBK-MNOVXSKESA-N 0 1 215.300 2.175 20 0 BEADMN C[C@@H]1CN(Cc2cnc3ccccn23)[C@H]1C ZINC000336548381 387371000 /nfs/dbraw/zinc/37/10/00/387371000.db2.gz GEZQXCBZEWNYBK-MNOVXSKESA-N 0 1 215.300 2.175 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000336551501 387372610 /nfs/dbraw/zinc/37/26/10/387372610.db2.gz DPGZHJDPCOZCKJ-ONGXEEELSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C)[C@@H]2C)n1 ZINC000336551501 387372614 /nfs/dbraw/zinc/37/26/14/387372614.db2.gz DPGZHJDPCOZCKJ-ONGXEEELSA-N 0 1 205.305 2.015 20 0 BEADMN CCN(CC(=O)N[C@H](C)CC(C)C)C1CC1 ZINC000121510892 387376411 /nfs/dbraw/zinc/37/64/11/387376411.db2.gz NEXJLYBDLJUETP-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C(C)C)C2)n1 ZINC000336553087 387376462 /nfs/dbraw/zinc/37/64/62/387376462.db2.gz JMLPVOAEFKWVOL-LBPRGKRZSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1[nH]ncc1C[N@H+]1CCCC2(CCC2)C1 ZINC000373487364 387376601 /nfs/dbraw/zinc/37/66/01/387376601.db2.gz BPCZJRGSRFNNDA-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC[C@@H]2C)nc1 ZINC000336555256 387377048 /nfs/dbraw/zinc/37/70/48/387377048.db2.gz RDONSFVYVVINRW-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC[C@@H]2C)nc1 ZINC000336555257 387378625 /nfs/dbraw/zinc/37/86/25/387378625.db2.gz RDONSFVYVVINRW-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN COC[C@@H]1CCN1C/C=C\c1ccccc1OC ZINC000354056261 387322847 /nfs/dbraw/zinc/32/28/47/387322847.db2.gz GDAWNKWHHZXPRV-VSKVDJIOSA-N 0 1 247.338 2.429 20 0 BEADMN O=S(=O)(Nc1ccc(F)cc1)c1ccoc1 ZINC000336511829 387335482 /nfs/dbraw/zinc/33/54/82/387335482.db2.gz OWHQJSBWKOSOQG-UHFFFAOYSA-N 0 1 241.243 2.220 20 0 BEADMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)CN(C)C ZINC000360710822 387339782 /nfs/dbraw/zinc/33/97/82/387339782.db2.gz HCXZLHCDMBRJOH-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CCCN1CC[S@](=O)CC[C@H]1C ZINC000373038813 387342029 /nfs/dbraw/zinc/34/20/29/387342029.db2.gz WUSZCHXLCZZUJY-IUODEOHRSA-N 0 1 231.405 2.266 20 0 BEADMN CC(C)CCCN1CC[S@@](=O)CC[C@H]1C ZINC000373038812 387342617 /nfs/dbraw/zinc/34/26/17/387342617.db2.gz WUSZCHXLCZZUJY-DOMZBBRYSA-N 0 1 231.405 2.266 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000336522826 387348573 /nfs/dbraw/zinc/34/85/73/387348573.db2.gz VHWNWMCGTPJEIZ-CQSZACIVSA-N 0 1 244.342 2.351 20 0 BEADMN CC[C@]1(C)CCN(Cc2cn3cccnc3n2)C1 ZINC000336522826 387348578 /nfs/dbraw/zinc/34/85/78/387348578.db2.gz VHWNWMCGTPJEIZ-CQSZACIVSA-N 0 1 244.342 2.351 20 0 BEADMN COc1cc(C[N@H+]2CCCC3(CC3)C2)ccn1 ZINC000336526760 387350657 /nfs/dbraw/zinc/35/06/57/387350657.db2.gz QSJXSECTOWKWTR-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CCCCN(Cc1n[nH]c(CC)n1)C1CC1 ZINC000354803087 387432745 /nfs/dbraw/zinc/43/27/45/387432745.db2.gz CKZADCNIZUXQCT-UHFFFAOYSA-N 0 1 222.336 2.132 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCO[C@H](C)C2)no1 ZINC000352691586 387437660 /nfs/dbraw/zinc/43/76/60/387437660.db2.gz BADBEOVDFCCHNQ-ZYHUDNBSSA-N 0 1 238.331 2.230 20 0 BEADMN CCC[C@H]1CN(C[C@H](O)CCC(C)C)CCO1 ZINC000361314186 387439244 /nfs/dbraw/zinc/43/92/44/387439244.db2.gz BXTOTBPVQNZRDU-KGLIPLIRSA-N 0 1 243.391 2.284 20 0 BEADMN CC(C)c1ccc(CNCc2cnnn2C)cc1 ZINC000121979548 387446271 /nfs/dbraw/zinc/44/62/71/387446271.db2.gz USLFQDDTVLPBMH-UHFFFAOYSA-N 0 1 244.342 2.228 20 0 BEADMN COC(=O)[C@@H]1CCCN1C[C@@H]1CCC(F)(F)C1 ZINC000304181496 387446353 /nfs/dbraw/zinc/44/63/53/387446353.db2.gz MMLJQAPHRIEVCC-ZJUUUORDSA-N 0 1 247.285 2.059 20 0 BEADMN CC[C@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000336604353 387446897 /nfs/dbraw/zinc/44/68/97/387446897.db2.gz CBNLAYMCECCHCH-LBPRGKRZSA-N 0 1 243.310 2.349 20 0 BEADMN Cc1cc(C)n2c(CN3[C@H](C)C[C@@H]3C)cnc2n1 ZINC000336608540 387451244 /nfs/dbraw/zinc/45/12/44/387451244.db2.gz IIDHGRITSLSUHQ-PHIMTYICSA-N 0 1 244.342 2.329 20 0 BEADMN CC(C)N(Cc1ccc(F)cn1)[C@H]1CCOC1 ZINC000361408441 387458052 /nfs/dbraw/zinc/45/80/52/387458052.db2.gz NPTJFXGVEXDSID-ZDUSSCGKSA-N 0 1 238.306 2.220 20 0 BEADMN CN(CC1CC1)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000516126605 387459199 /nfs/dbraw/zinc/45/91/99/387459199.db2.gz BVYZSNSYLVSYLS-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(F)cc1)C1CCC1 ZINC000515498344 387391318 /nfs/dbraw/zinc/39/13/18/387391318.db2.gz HGKSSVUJHPOOLM-UHFFFAOYSA-N 0 1 237.274 2.265 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000121691867 387391858 /nfs/dbraw/zinc/39/18/58/387391858.db2.gz BFIMBPINZPRONZ-CYBMUJFWSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1cccc(F)c1CN[C@@H]1C=C[C@@H](CO)C1 ZINC000354564278 387395446 /nfs/dbraw/zinc/39/54/46/387395446.db2.gz FVUFFEHTISVESB-DGCLKSJQSA-N 0 1 249.329 2.415 20 0 BEADMN Cc1ccc(CCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000354578007 387398109 /nfs/dbraw/zinc/39/81/09/387398109.db2.gz SGSQFXPFDZVOKH-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cccc2c[nH]nc21 ZINC000336587666 387412252 /nfs/dbraw/zinc/41/22/52/387412252.db2.gz KPASWILCXGMKFM-GFCCVEGCSA-N 0 1 243.310 2.433 20 0 BEADMN CN(Cc1ccoc1)CC1=CCCOC1 ZINC000352653606 387415993 /nfs/dbraw/zinc/41/59/93/387415993.db2.gz XYPXOODRCGWHGH-UHFFFAOYSA-N 0 1 207.273 2.058 20 0 BEADMN C[C@]1(c2ccccc2)CN(CCCCO)CCO1 ZINC000305055030 387542823 /nfs/dbraw/zinc/54/28/23/387542823.db2.gz DWCCUJQRMLIEPE-OAHLLOKOSA-N 0 1 249.354 2.007 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@@H](C2CC2)C1 ZINC000374907881 387498875 /nfs/dbraw/zinc/49/88/75/387498875.db2.gz FOYDFNREQHHQAX-GFCCVEGCSA-N 0 1 248.374 2.265 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2COC(C)(C)C2)o1 ZINC000396842392 387500650 /nfs/dbraw/zinc/50/06/50/387500650.db2.gz IJIMHIAAORDGBT-JTQLQIEISA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@@H]1COCCN1CCN(C)c1ccccc1 ZINC000085820022 387503624 /nfs/dbraw/zinc/50/36/24/387503624.db2.gz PEVNQKGXEHCVIW-CQSZACIVSA-N 0 1 248.370 2.234 20 0 BEADMN c1cnc(CN(CC2CC2)C2CCC2)nc1 ZINC000361588195 387504359 /nfs/dbraw/zinc/50/43/59/387504359.db2.gz QRCJUFDVQMNBIM-UHFFFAOYSA-N 0 1 217.316 2.241 20 0 BEADMN Cn1nccc1CNCc1ccc2occc2c1 ZINC000352812712 387505503 /nfs/dbraw/zinc/50/55/03/387505503.db2.gz HFHNTYJBRXSONY-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN c1ccc(OC[C@@H]2CN(CC3CC3)CCO2)cc1 ZINC000361663631 387520233 /nfs/dbraw/zinc/52/02/33/387520233.db2.gz VGTDRCKVMOSMED-HNNXBMFYSA-N 0 1 247.338 2.176 20 0 BEADMN Cc1ccnc(NC[C@@H](C)C[C@@H](C)O)c1 ZINC000301633510 387522225 /nfs/dbraw/zinc/52/22/25/387522225.db2.gz JYQMHDGBMWLPPF-WDEREUQCSA-N 0 1 208.305 2.209 20 0 BEADMN CN(C)CC(=O)NCC(C)(C)C1=CCCCC1 ZINC000361688890 387522995 /nfs/dbraw/zinc/52/29/95/387522995.db2.gz YSIXVXYLPBRDMM-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CC1(C)CC[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000424107552 387529390 /nfs/dbraw/zinc/52/93/90/387529390.db2.gz ZCEDPHSBXIYEKT-ZETCQYMHSA-N 0 1 238.360 2.142 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nc(N(C)C)no1 ZINC000192737615 387532168 /nfs/dbraw/zinc/53/21/68/387532168.db2.gz JCPGXMROSKYTPA-JTQLQIEISA-N 0 1 240.351 2.004 20 0 BEADMN C[C@@H](O)CN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000192797974 387534834 /nfs/dbraw/zinc/53/48/34/387534834.db2.gz KJDGTCKQVNQZFT-BDAKNGLRSA-N 0 1 242.388 2.472 20 0 BEADMN COC1(CNCc2cc[nH]n2)CCC(C)CC1 ZINC000355423853 387535426 /nfs/dbraw/zinc/53/54/26/387535426.db2.gz MNDQZUCGWCKKCY-UHFFFAOYSA-N 0 1 237.347 2.095 20 0 BEADMN Cc1noc([C@H]2CCCN(CC3(F)CC3)C2)n1 ZINC000527218956 387537593 /nfs/dbraw/zinc/53/75/93/387537593.db2.gz BFVJYNKZVVYCSL-JTQLQIEISA-N 0 1 239.294 2.060 20 0 BEADMN CCC1(CC)CCN(Cc2ncccn2)C1 ZINC000361826131 387539442 /nfs/dbraw/zinc/53/94/42/387539442.db2.gz SKAYQGGVEUMAED-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN CCn1nccc1CNCc1cnc(C)cc1C ZINC000397118215 387540757 /nfs/dbraw/zinc/54/07/57/387540757.db2.gz XETMNEOLFRPODP-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2ncc(C)o2)C1(C)C ZINC000355043826 387470609 /nfs/dbraw/zinc/47/06/09/387470609.db2.gz SOGXZAIWVMSWPH-ADEWGFFLSA-N 0 1 238.331 2.132 20 0 BEADMN CC[C@H](NC1[C@H](C)CCC[C@H]1C)C(=O)OC ZINC000304421053 387477551 /nfs/dbraw/zinc/47/75/51/387477551.db2.gz JSEWSYJFMFXPMQ-MXWKQRLJSA-N 0 1 227.348 2.352 20 0 BEADMN CCCCCN1CCn2cc(C)nc2C1 ZINC000374690717 387479751 /nfs/dbraw/zinc/47/97/51/387479751.db2.gz BMZIWPVOOSGEMZ-UHFFFAOYSA-N 0 1 207.321 2.197 20 0 BEADMN CO[C@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC000374676737 387480490 /nfs/dbraw/zinc/48/04/90/387480490.db2.gz GMRJNXMJTUGVKB-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CO[C@H]1CCCN(Cc2nccs2)CC1 ZINC000374676737 387480495 /nfs/dbraw/zinc/48/04/95/387480495.db2.gz GMRJNXMJTUGVKB-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CCc1ccc(CN[C@@H](C)c2cn[nH]c2)cn1 ZINC000352794168 387487369 /nfs/dbraw/zinc/48/73/69/387487369.db2.gz VCQZUBTVCYUFJE-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN C[C@H]1CCC[C@H](N(C)Cc2nccn2C)C1 ZINC000195514550 387587302 /nfs/dbraw/zinc/58/73/02/387587302.db2.gz BWBZFCXAIJSARW-RYUDHWBXSA-N 0 1 221.348 2.431 20 0 BEADMN CN(Cc1ncccc1Cl)C1CCOCC1 ZINC000528398907 387588478 /nfs/dbraw/zinc/58/84/78/387588478.db2.gz WUCHJXXCGDETHA-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@]1(O)CCCN(Cc2nc3ccccc3o2)C1 ZINC000124676942 387628387 /nfs/dbraw/zinc/62/83/87/387628387.db2.gz LQMXDBUDPNNTOS-AWEZNQCLSA-N 0 1 246.310 2.175 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)C2CCC2)CC1 ZINC000375981687 387599421 /nfs/dbraw/zinc/59/94/21/387599421.db2.gz XSUAAPHTEAJQNY-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN CCC(C)(C)NC(=O)CN1CC(C)=C[C@@H](C)C1 ZINC000430269394 387606040 /nfs/dbraw/zinc/60/60/40/387606040.db2.gz QJOZCPXOEBTFTQ-LLVKDONJSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CC(C)=C[C@@H](C)C2)n1 ZINC000430272850 387606136 /nfs/dbraw/zinc/60/61/36/387606136.db2.gz CDFHJTKZLRIMFL-BXKDBHETSA-N 0 1 247.342 2.450 20 0 BEADMN COC(=O)c1coc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000430285469 387608483 /nfs/dbraw/zinc/60/84/83/387608483.db2.gz SWUFPPYMKDLRIV-JTQLQIEISA-N 0 1 249.310 2.464 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(C)ccc1F)N(C)C ZINC000124607039 387625681 /nfs/dbraw/zinc/62/56/81/387625681.db2.gz FQSINOAXNICJKN-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)[C@@H](C)[C@@H](C)O1 ZINC000361850166 387545301 /nfs/dbraw/zinc/54/53/01/387545301.db2.gz PUICOJIFRGMIGQ-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1Nc1ncnc2[nH]cnc21 ZINC000397189901 387549866 /nfs/dbraw/zinc/54/98/66/387549866.db2.gz OKJWKPLLYJDPMB-PRHODGIISA-N 0 1 231.303 2.199 20 0 BEADMN CC[C@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000305091587 387550960 /nfs/dbraw/zinc/55/09/60/387550960.db2.gz PYDXMKNMHNDSHZ-LSDHHAIUSA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000548426348 387551094 /nfs/dbraw/zinc/55/10/94/387551094.db2.gz UURYMZZPNRKBCN-LPWJVIDDSA-N 0 1 238.375 2.259 20 0 BEADMN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccco1 ZINC000035149093 387555393 /nfs/dbraw/zinc/55/53/93/387555393.db2.gz QZCBZUVDAOEQHT-SNVBAGLBSA-N 0 1 244.294 2.229 20 0 BEADMN COCC(C)(C)CN1CCC=C(F)C1 ZINC000426348740 387558306 /nfs/dbraw/zinc/55/83/06/387558306.db2.gz BVCZSJWIGMFHHS-UHFFFAOYSA-N 0 1 201.285 2.218 20 0 BEADMN Cc1cc(CNCCc2ccc(C)cn2)no1 ZINC000399691776 387566370 /nfs/dbraw/zinc/56/63/70/387566370.db2.gz HELTZXFUATXRDE-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CCN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355728448 387574000 /nfs/dbraw/zinc/57/40/00/387574000.db2.gz CSTUPHGZFOQCCR-FRRDWIJNSA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@H](C)CC(=O)Nc1nnc(CC)[nH]1 ZINC000123017884 387636218 /nfs/dbraw/zinc/63/62/18/387636218.db2.gz DGQYVQSADITHGC-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CCC[C@H](C)CC(=O)Nc1nc(CC)n[nH]1 ZINC000123017884 387636221 /nfs/dbraw/zinc/63/62/21/387636221.db2.gz DGQYVQSADITHGC-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1ncn(C)n1 ZINC000430734226 387646526 /nfs/dbraw/zinc/64/65/26/387646526.db2.gz UYCBKQHWVBDEEJ-IJLUTSLNSA-N 0 1 236.363 2.120 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3c[nH]nc32)ccn1 ZINC000527611913 387653384 /nfs/dbraw/zinc/65/33/84/387653384.db2.gz KFWRBUMGQFIGLE-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN CSc1ccccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000305812154 387656720 /nfs/dbraw/zinc/65/67/20/387656720.db2.gz JWEUEPXJCJGXSY-GFCCVEGCSA-N 0 1 237.368 2.365 20 0 BEADMN COC(=O)c1coc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000123137019 387656762 /nfs/dbraw/zinc/65/67/62/387656762.db2.gz CNJIBVPGTANRAN-AOOOYVTPSA-N 0 1 237.299 2.439 20 0 BEADMN OCCNCc1ccc(Oc2ccccc2)o1 ZINC000305876931 387666167 /nfs/dbraw/zinc/66/61/67/387666167.db2.gz RSRNTLLEGXKJRI-UHFFFAOYSA-N 0 1 233.267 2.154 20 0 BEADMN CC(C)(C)SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000376868011 387676075 /nfs/dbraw/zinc/67/60/75/387676075.db2.gz XPJPIUIUTXSLHY-PHIMTYICSA-N 0 1 229.389 2.381 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](Oc2ccccn2)C1 ZINC000440771749 387688273 /nfs/dbraw/zinc/68/82/73/387688273.db2.gz SALCWYWANAXPOR-NWDGAFQWSA-N 0 1 238.306 2.283 20 0 BEADMN OCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451961213 387689372 /nfs/dbraw/zinc/68/93/72/387689372.db2.gz CZWHGLPOVDLBTF-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN OCCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451961213 387689378 /nfs/dbraw/zinc/68/93/78/387689378.db2.gz CZWHGLPOVDLBTF-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000521459025 387750407 /nfs/dbraw/zinc/75/04/07/387750407.db2.gz PZAYMWGBYMXXDH-IJLUTSLNSA-N 0 1 249.358 2.141 20 0 BEADMN Cc1cnc([C@@H](C)N2CCN(CC3CC3)CC2)o1 ZINC000356958716 387754732 /nfs/dbraw/zinc/75/47/32/387754732.db2.gz UXDWNZZUXZCECG-GFCCVEGCSA-N 0 1 249.358 2.072 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCN1C)C(C)(C)C ZINC000356963413 387754764 /nfs/dbraw/zinc/75/47/64/387754764.db2.gz IDQBOKSEPAUPJE-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@H](C)F ZINC000356691002 387702287 /nfs/dbraw/zinc/70/22/87/387702287.db2.gz FEPKUSJHSKZMIU-QMMMGPOBSA-N 0 1 241.310 2.319 20 0 BEADMN CCONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000527790525 387715372 /nfs/dbraw/zinc/71/53/72/387715372.db2.gz YODSZQFCFHCFEJ-VIFPVBQESA-N 0 1 225.675 2.047 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@H]1CCC[C@H](C)C1 ZINC000452055454 387716959 /nfs/dbraw/zinc/71/69/59/387716959.db2.gz BYUOVVZJAGVXST-DCAQKATOSA-N 0 1 222.336 2.109 20 0 BEADMN CCn1ncc(CNCC[C@@H]2CC=CCC2)n1 ZINC000527791865 387717108 /nfs/dbraw/zinc/71/71/08/387717108.db2.gz VVTUGNUEUSMGFF-GFCCVEGCSA-N 0 1 234.347 2.134 20 0 BEADMN CC(C)n1cc(CN2CCC[C@H](C3CC3)C2)nn1 ZINC000377882937 387755491 /nfs/dbraw/zinc/75/54/91/387755491.db2.gz HFHGAKLECSZYDC-ZDUSSCGKSA-N 0 1 248.374 2.481 20 0 BEADMN Cc1ccc(O)c(CNCc2cccnc2C)n1 ZINC000527793511 387720455 /nfs/dbraw/zinc/72/04/55/387720455.db2.gz KDBOMKDUGCEJIA-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN CC(C)(C)OCCN1CCO[C@H]2CCC[C@@H]21 ZINC000377465850 387720734 /nfs/dbraw/zinc/72/07/34/387720734.db2.gz UBTLPLWNJAFZMG-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527798998 387721561 /nfs/dbraw/zinc/72/15/61/387721561.db2.gz JJQDHBDBVVYZOG-OLZOCXBDSA-N 0 1 238.331 2.337 20 0 BEADMN FCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367586669 387729625 /nfs/dbraw/zinc/72/96/25/387729625.db2.gz PLADGGQIWDCKNW-OLZOCXBDSA-N 0 1 245.338 2.006 20 0 BEADMN FCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367586671 387731107 /nfs/dbraw/zinc/73/11/07/387731107.db2.gz PLADGGQIWDCKNW-STQMWFEESA-N 0 1 245.338 2.006 20 0 BEADMN Cc1cc(F)c(CNC[C@@H](O)C2CC2)c(F)c1 ZINC000424143557 387755809 /nfs/dbraw/zinc/75/58/09/387755809.db2.gz KBOQZCNXXPDIOK-CYBMUJFWSA-N 0 1 241.281 2.134 20 0 BEADMN C[C@H](NCC1(O)CCCCCC1)c1ncc[nH]1 ZINC000367594583 387731833 /nfs/dbraw/zinc/73/18/33/387731833.db2.gz LYOYUHNHZSGSAA-NSHDSACASA-N 0 1 237.347 2.146 20 0 BEADMN COC[C@H]1CCCN(Cc2cc(C)on2)CC1 ZINC000452094276 387732579 /nfs/dbraw/zinc/73/25/79/387732579.db2.gz WCKDRZOMHYDFHH-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN COC[C@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000356991203 387762235 /nfs/dbraw/zinc/76/22/35/387762235.db2.gz VMTSMANAFROXAM-MNOVXSKESA-N 0 1 224.304 2.012 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCC[C@H]2O)o1 ZINC000356993859 387763096 /nfs/dbraw/zinc/76/30/96/387763096.db2.gz XZCNUEZGBQHHME-QJPTWQEYSA-N 0 1 238.331 2.137 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CC12CC2)c1csnn1 ZINC000527908991 387764118 /nfs/dbraw/zinc/76/41/18/387764118.db2.gz OGOUILBQSIBOMX-XHNCKOQMSA-N 0 1 223.345 2.377 20 0 BEADMN Cc1nnc(CN[C@@H](C)[C@@H]2CC23CC3)s1 ZINC000527889133 387773127 /nfs/dbraw/zinc/77/31/27/387773127.db2.gz YZBJSPZTDIWQBS-CBAPKCEASA-N 0 1 223.345 2.125 20 0 BEADMN CC(C)c1noc(CN2CC[C@H](C3CC3)C2)n1 ZINC000378322905 387776545 /nfs/dbraw/zinc/77/65/45/387776545.db2.gz YALWBNIUUBAPCJ-NSHDSACASA-N 0 1 235.331 2.425 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@@H](C2CC2)C1 ZINC000378319785 387776682 /nfs/dbraw/zinc/77/66/82/387776682.db2.gz OOULVJHEWDCWRT-LLVKDONJSA-N 0 1 233.315 2.179 20 0 BEADMN CC(C)Cn1ncnc1CN1CCC2(CC2)CC1 ZINC000378508206 387787198 /nfs/dbraw/zinc/78/71/98/387787198.db2.gz ZRWLVMNYTYTWOU-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)n1cncc1CNCc1ccn(C)c1 ZINC000424150763 387793314 /nfs/dbraw/zinc/79/33/14/387793314.db2.gz ZKHRGEXBQYRHEI-UHFFFAOYSA-N 0 1 232.331 2.092 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000378653680 387793350 /nfs/dbraw/zinc/79/33/50/387793350.db2.gz XHBGMXKFRAVLJZ-GXTWGEPZSA-N 0 1 247.338 2.346 20 0 BEADMN Cc1nc([C@@H](C)NCC23CC(C2)CO3)cs1 ZINC000527981193 387797544 /nfs/dbraw/zinc/79/75/44/387797544.db2.gz LUWBXNKVNSLQMF-DUACVJHASA-N 0 1 238.356 2.281 20 0 BEADMN C[C@@]1(c2nc(-c3ccncc3)no2)CCCCN1 ZINC000133834533 387801806 /nfs/dbraw/zinc/80/18/06/387801806.db2.gz MFIVVPXMBPEMQP-ZDUSSCGKSA-N 0 1 244.298 2.120 20 0 BEADMN FC(F)CN1CCC[N@@H+](CC2=CCCC2)CC1 ZINC000645843270 387802096 /nfs/dbraw/zinc/80/20/96/387802096.db2.gz IURFBUWOGSZULW-UHFFFAOYSA-N 0 1 244.329 2.370 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1cnccn1 ZINC000528002434 387807471 /nfs/dbraw/zinc/80/74/71/387807471.db2.gz XWVHLNXRIWRZSG-RTXFEEFZSA-N 0 1 235.331 2.083 20 0 BEADMN C[C@H](NCC1=CCCC1)c1nnc2ccccn21 ZINC000645854667 387872828 /nfs/dbraw/zinc/87/28/28/387872828.db2.gz QXKLQUWAFMBGEA-NSHDSACASA-N 0 1 242.326 2.490 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1(C)CCC1 ZINC000432822513 387827767 /nfs/dbraw/zinc/82/77/67/387827767.db2.gz MPDAJALWHHGWIV-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CC1(C)CCC1 ZINC000432815429 387828068 /nfs/dbraw/zinc/82/80/68/387828068.db2.gz GMUALACVWGVHBF-JRPNMDOOSA-N 0 1 229.389 2.018 20 0 BEADMN FCCCSc1nc(C2CC2)n[nH]1 ZINC000151377631 387833051 /nfs/dbraw/zinc/83/30/51/387833051.db2.gz ZYGULSKULZHZPG-UHFFFAOYSA-N 0 1 201.270 2.134 20 0 BEADMN FCCCSc1n[nH]c(C2CC2)n1 ZINC000151377631 387833058 /nfs/dbraw/zinc/83/30/58/387833058.db2.gz ZYGULSKULZHZPG-UHFFFAOYSA-N 0 1 201.270 2.134 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000442793716 387841343 /nfs/dbraw/zinc/84/13/43/387841343.db2.gz OLDCRUBBDWOQQR-SRVKXCTJSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC000452525753 387848078 /nfs/dbraw/zinc/84/80/78/387848078.db2.gz JHHFZLLSIGJBFZ-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc(CN[C@@H]2CS[C@@H](C)C2)s1 ZINC000235750340 387856058 /nfs/dbraw/zinc/85/60/58/387856058.db2.gz CGVCPKIJUYWTQW-CBAPKCEASA-N 0 1 228.386 2.435 20 0 BEADMN CN(Cc1cc(C(F)(F)F)n[nH]1)C1CCC1 ZINC000442884411 387856416 /nfs/dbraw/zinc/85/64/16/387856416.db2.gz KHIFJXWBSXVPDK-UHFFFAOYSA-N 0 1 233.237 2.413 20 0 BEADMN C(CN1CCOC[C@@]12CCOC2)C1CCCC1 ZINC000193724318 387863513 /nfs/dbraw/zinc/86/35/13/387863513.db2.gz RRKMTSSJGIASPQ-AWEZNQCLSA-N 0 1 239.359 2.058 20 0 BEADMN C[C@H]1COCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000433141467 387868558 /nfs/dbraw/zinc/86/85/58/387868558.db2.gz PEOAVNPWUUOCSQ-GXSJLCMTSA-N 0 1 236.315 2.067 20 0 BEADMN C[C@@H]1COCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000433141469 387869983 /nfs/dbraw/zinc/86/99/83/387869983.db2.gz PEOAVNPWUUOCSQ-MWLCHTKSSA-N 0 1 236.315 2.067 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cncnc1C ZINC000527978794 387817077 /nfs/dbraw/zinc/81/70/77/387817077.db2.gz MGKQLNJTYPQYKE-RTXFEEFZSA-N 0 1 235.331 2.003 20 0 BEADMN CCc1ccccc1CC[N@H+]1CCN(C)C[C@@H]1C ZINC000444634431 387895989 /nfs/dbraw/zinc/89/59/89/387895989.db2.gz AUKGRUFUBQFJTO-AWEZNQCLSA-N 0 1 246.398 2.427 20 0 BEADMN CCN(CC1=CCCC1)C[C@H](O)C(F)(F)F ZINC000645861843 387881678 /nfs/dbraw/zinc/88/16/78/387881678.db2.gz SIXZQOVMCLIXLK-JTQLQIEISA-N 0 1 237.265 2.342 20 0 BEADMN CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(F)F ZINC000452668010 387885424 /nfs/dbraw/zinc/88/54/24/387885424.db2.gz HYKMGXWAAMNCLN-GUBZILKMSA-N 0 1 248.317 2.019 20 0 BEADMN COc1ccnc(CNC[C@H]2CCCC[C@H]2C)n1 ZINC000424194787 387917798 /nfs/dbraw/zinc/91/77/98/387917798.db2.gz WXPIJCRISSMPNI-VXGBXAGGSA-N 0 1 249.358 2.401 20 0 BEADMN CC(=O)CCN1CCOC2(CCCCC2)C1 ZINC000173579932 387900017 /nfs/dbraw/zinc/90/00/17/387900017.db2.gz QPMGQPHMPFBJLP-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN COc1ccnc(CN[C@@H]2CC(C)(C)C[C@H]2C)n1 ZINC000424188049 387909002 /nfs/dbraw/zinc/90/90/02/387909002.db2.gz KBICVCFQDOCQJR-GHMZBOCLSA-N 0 1 249.358 2.400 20 0 BEADMN Cc1ccc(CNCc2ccccc2C)nn1 ZINC000396657067 387933508 /nfs/dbraw/zinc/93/35/08/387933508.db2.gz WCTLIMUFKVVJJY-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cnccn1 ZINC000444882311 387936209 /nfs/dbraw/zinc/93/62/09/387936209.db2.gz VANCHXKNNVICJE-UHFFFAOYSA-N 0 1 245.330 2.134 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)[C@H](C)[C@H](C)O1 ZINC000438361209 387925815 /nfs/dbraw/zinc/92/58/15/387925815.db2.gz APOHTDWIHJPRTL-UTUOFQBUSA-N 0 1 222.332 2.023 20 0 BEADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)no1 ZINC000243989220 387941751 /nfs/dbraw/zinc/94/17/51/387941751.db2.gz SDXMVLKFYQEMNX-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000245547146 387959213 /nfs/dbraw/zinc/95/92/13/387959213.db2.gz WDQXGURKLAPIKE-QWHCGFSZSA-N 0 1 249.354 2.442 20 0 BEADMN COc1ccc(CN2CC(C)C2)cc1OC ZINC000438861984 387959935 /nfs/dbraw/zinc/95/99/35/387959935.db2.gz VKHSOGOOELSLTL-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@H]2C(C)(C)C)n1 ZINC000424306402 387961541 /nfs/dbraw/zinc/96/15/41/387961541.db2.gz IDBTUPCKGRQZQS-MNOVXSKESA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@H]2C2CC2)n1 ZINC000424306117 387962843 /nfs/dbraw/zinc/96/28/43/387962843.db2.gz GSHKLHYPYHCYBB-RYUDHWBXSA-N 0 1 247.342 2.154 20 0 BEADMN CCn1nccc1CN1CCS[C@H](C)[C@H]1C ZINC000245740644 387980721 /nfs/dbraw/zinc/98/07/21/387980721.db2.gz LSTSVQSHYVLZOP-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1ccnc1[C@@H](C)NCCc1ccco1 ZINC000453057831 387974644 /nfs/dbraw/zinc/97/46/44/387974644.db2.gz NRFMZMFIAPXPFK-LLVKDONJSA-N 0 1 233.315 2.389 20 0 BEADMN CC/C=C/CCN1CCNC(=O)[C@]1(C)CCC ZINC000445894932 387977650 /nfs/dbraw/zinc/97/76/50/387977650.db2.gz RORRPCWFKBPDNK-UZYOAWRESA-N 0 1 238.375 2.333 20 0 BEADMN CCC[C@@](C)(O)CN[C@@H](C)c1nccn1CC ZINC000453120749 387989065 /nfs/dbraw/zinc/98/90/65/387989065.db2.gz NBOLXEYBTDRRPI-WCQYABFASA-N 0 1 239.363 2.105 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CC[C@H]1SC ZINC000453156168 387990848 /nfs/dbraw/zinc/99/08/48/387990848.db2.gz ZFGMQZKTGFYAHX-GARJFASQSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@@]1(C)CCCO1 ZINC000453127698 387990984 /nfs/dbraw/zinc/99/09/84/387990984.db2.gz LQTSHHIWCXBIHH-DGCLKSJQSA-N 0 1 237.347 2.123 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000245952133 387995021 /nfs/dbraw/zinc/99/50/21/387995021.db2.gz SPQZCGMVTNHRQK-QWRGUYRKSA-N 0 1 249.358 2.223 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453111761 387987105 /nfs/dbraw/zinc/98/71/05/387987105.db2.gz BPVMUBYGKKDJSJ-ZDEQEGDKSA-N 0 1 249.358 2.436 20 0 BEADMN CC(C)(CCNc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000424373296 387997036 /nfs/dbraw/zinc/99/70/36/387997036.db2.gz JLXKZBGHCPUIOB-UHFFFAOYSA-N 0 1 242.706 2.070 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)[C@@H](C)[C@H](C)O1 ZINC000446083677 387997453 /nfs/dbraw/zinc/99/74/53/387997453.db2.gz RVQNDROKOCRGHV-WOPDTQHZSA-N 0 1 229.364 2.299 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000453166020 388002156 /nfs/dbraw/zinc/00/21/56/388002156.db2.gz CNPYBUCVZQRMLX-WUHRBBMRSA-N 0 1 249.358 2.436 20 0 BEADMN OCC(F)(F)CN[C@H](C1CC1)C1CCCC1 ZINC000453190136 388006963 /nfs/dbraw/zinc/00/69/63/388006963.db2.gz CFVZVKIPJCCNBE-NSHDSACASA-N 0 1 233.302 2.172 20 0 BEADMN CC[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C(F)F ZINC000453246183 388023942 /nfs/dbraw/zinc/02/39/42/388023942.db2.gz MQEDHPQGXIWQHO-LSJOCFKGSA-N 0 1 232.318 2.102 20 0 BEADMN CCC1(CC)CCN([C@H](C)C(=O)OC)C1 ZINC000087256729 135115749 /nfs/dbraw/zinc/11/57/49/135115749.db2.gz UFDSAQDANPAKLW-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCO ZINC000246168873 388015227 /nfs/dbraw/zinc/01/52/27/388015227.db2.gz NSGITKKQTUAXDR-NFAWXSAZSA-N 0 1 249.354 2.219 20 0 BEADMN OCCN(Cc1ccc(Cl)o1)C1CCC1 ZINC000439782682 388020463 /nfs/dbraw/zinc/02/04/63/388020463.db2.gz RRJDMMUSEUPUNG-UHFFFAOYSA-N 0 1 229.707 2.280 20 0 BEADMN CC[C@H](N[C@H](C)CCCOC)C(F)F ZINC000453242873 388022372 /nfs/dbraw/zinc/02/23/72/388022372.db2.gz HYHPHRVOGRVJCY-BDAKNGLRSA-N 0 1 209.280 2.435 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)c1cccs1 ZINC000082279801 388022699 /nfs/dbraw/zinc/02/26/99/388022699.db2.gz WJUNVHXGUNURMX-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC[C@H](N[C@H]1CCOC[C@H]1C)C(F)F ZINC000453246100 388023496 /nfs/dbraw/zinc/02/34/96/388023496.db2.gz LZIBAHHLCFNWKJ-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@](C)(CN[C@@H](C)c1cc(C)n(C)n1)OC ZINC000453297338 388038061 /nfs/dbraw/zinc/03/80/61/388038061.db2.gz ICNRARDRPRSALX-WCQYABFASA-N 0 1 239.363 2.194 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1CCOC1(C)C ZINC000453297337 388038335 /nfs/dbraw/zinc/03/83/35/388038335.db2.gz RHGWAHMUGIJBQP-MNOVXSKESA-N 0 1 237.347 2.121 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@](C)(CC)OC ZINC000453304829 388039762 /nfs/dbraw/zinc/03/97/62/388039762.db2.gz PSRLNWPFOVXUMV-AAEUAGOBSA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cc(C)on1)[C@@H](O)CC ZINC000453341540 388051875 /nfs/dbraw/zinc/05/18/75/388051875.db2.gz CIRQMKMXNUSLAX-UMNHJUIQSA-N 0 1 226.320 2.183 20 0 BEADMN C[C@H](NCc1cnc(C2CC2)o1)[C@@H]1CCCO1 ZINC000453343212 388052032 /nfs/dbraw/zinc/05/20/32/388052032.db2.gz GLAHKRVQPSLISN-CABZTGNLSA-N 0 1 236.315 2.209 20 0 BEADMN O=c1[n-]nc([C@@H]2CCC[N@@H+](CC3=CCCC3)C2)o1 ZINC000645897192 388057260 /nfs/dbraw/zinc/05/72/60/388057260.db2.gz ZATRNIAMPOPMJH-LLVKDONJSA-N 0 1 249.314 2.065 20 0 BEADMN COc1cccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])c1 ZINC000083662780 388057625 /nfs/dbraw/zinc/05/76/25/388057625.db2.gz XGFUSMMZURTHCR-SNVBAGLBSA-N 0 1 237.299 2.163 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cnc(C2CC2)o1 ZINC000453358826 388057856 /nfs/dbraw/zinc/05/78/56/388057856.db2.gz OTQHLGMWTYBZAK-IUCAKERBSA-N 0 1 224.304 2.065 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000083680716 388058876 /nfs/dbraw/zinc/05/88/76/388058876.db2.gz XJSIASPDKZIOFW-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCCc1ncc(CN[C@@H](C)[C@H](C)OC)o1 ZINC000453388300 388061380 /nfs/dbraw/zinc/06/13/80/388061380.db2.gz PERPFEOXNVPEOU-UWVGGRQHSA-N 0 1 226.320 2.140 20 0 BEADMN CC[C@@H](F)CN1CCC[C@H](c2nc(C)no2)C1 ZINC000440699304 388068216 /nfs/dbraw/zinc/06/82/16/388068216.db2.gz BLDWQGDBWFLNHE-WDEREUQCSA-N 0 1 241.310 2.306 20 0 BEADMN C[C@@H]1CC[C@@H](CN[C@@H](c2nccn2C)C2CC2)O1 ZINC000453403002 388073086 /nfs/dbraw/zinc/07/30/86/388073086.db2.gz GKSGQQPZMVEBQS-KGYLQXTDSA-N 0 1 249.358 2.028 20 0 BEADMN CCCc1ccc(CN2CCC[C@@H]2C(N)=O)cc1 ZINC000195025566 388083662 /nfs/dbraw/zinc/08/36/62/388083662.db2.gz BKNHBIRCIDUQKH-CQSZACIVSA-N 0 1 246.354 2.089 20 0 BEADMN Cc1c[nH]nc1CNCCOCC1CCCC1 ZINC000453584666 388087126 /nfs/dbraw/zinc/08/71/26/388087126.db2.gz LWOSQTKESWFZOA-UHFFFAOYSA-N 0 1 237.347 2.015 20 0 BEADMN CCC1CN(Cc2cnn(CC(C)C)c2)C1 ZINC000453598833 388089841 /nfs/dbraw/zinc/08/98/41/388089841.db2.gz BGAVNYDIZJOFHD-UHFFFAOYSA-N 0 1 221.348 2.381 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCC[C@@H]2CC)cn1 ZINC000447743844 388090693 /nfs/dbraw/zinc/09/06/93/388090693.db2.gz VYBGBTQSXDGDJY-LBPRGKRZSA-N 0 1 205.305 2.358 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(C)c1 ZINC000086775836 388108766 /nfs/dbraw/zinc/10/87/66/388108766.db2.gz ADXMYLSOMRNGPN-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CCc1ccc([C@@H](C)NC(COC)COC)o1 ZINC000453326855 388047627 /nfs/dbraw/zinc/04/76/27/388047627.db2.gz DQCLNKJHVHQKQI-SNVBAGLBSA-N 0 1 241.331 2.154 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453328441 388047635 /nfs/dbraw/zinc/04/76/35/388047635.db2.gz PPQODSDIGQVHID-WISYIIOYSA-N 0 1 235.331 2.046 20 0 BEADMN C/C=C\CSCc1n[nH]c(C2CC2)n1 ZINC000447031653 388048453 /nfs/dbraw/zinc/04/84/53/388048453.db2.gz ZOWLCXLFNCOFTQ-IHWYPQMZSA-N 0 1 209.318 2.491 20 0 BEADMN Cc1c[nH]nc1CNCC1=CCCCC1 ZINC000449376973 388187414 /nfs/dbraw/zinc/18/74/14/388187414.db2.gz QKUZEYGVWUIMNS-UHFFFAOYSA-N 0 1 205.305 2.308 20 0 BEADMN COc1nccc(C[N@@H+](C)C[C@@H]2CC=CCC2)n1 ZINC000449241819 388160857 /nfs/dbraw/zinc/16/08/57/388160857.db2.gz UXHDAMHEGXPVTM-GFCCVEGCSA-N 0 1 247.342 2.273 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1ccn(C)n1 ZINC000645928119 388161033 /nfs/dbraw/zinc/16/10/33/388161033.db2.gz XOXCQSZQZJUQEF-SNVBAGLBSA-N 0 1 205.305 2.181 20 0 BEADMN C[C@H](NCC(F)(F)CO)[C@@H]1CCCC[C@H]1C ZINC000449254501 388163243 /nfs/dbraw/zinc/16/32/43/388163243.db2.gz YIVMAZRXIYHULD-OUAUKWLOSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000455651823 388165411 /nfs/dbraw/zinc/16/54/11/388165411.db2.gz WSVYWVNNFQQCFL-SECBINFHSA-N 0 1 227.329 2.086 20 0 BEADMN COc1nccnc1CN1CCCC12CCC2 ZINC000449285251 388167403 /nfs/dbraw/zinc/16/74/03/388167403.db2.gz RMSAMHWPPVQCJZ-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CCC1(CC)CN(C[C@@H]2C[C@H]2C)CC[S@@]1=O ZINC000488566392 388188026 /nfs/dbraw/zinc/18/80/26/388188026.db2.gz XFGQILAPCWQPAW-WQGACYEGSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)[C@@H]1C ZINC000646252557 388170859 /nfs/dbraw/zinc/17/08/59/388170859.db2.gz QHLGTTYGLJCBDI-GHMZBOCLSA-N 0 1 221.348 2.478 20 0 BEADMN C[C@H]1CCC[C@@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000646260690 388171297 /nfs/dbraw/zinc/17/12/97/388171297.db2.gz ZRTHBNPCXUZQTL-WDEREUQCSA-N 0 1 247.342 2.121 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCc2nc[nH]c2C1 ZINC000646257988 388171645 /nfs/dbraw/zinc/17/16/45/388171645.db2.gz WKBZOJYPGDZPGG-SNVBAGLBSA-N 0 1 235.331 2.121 20 0 BEADMN C[C@H](CC(C)(C)C)N[C@H](C(N)=O)c1ccccn1 ZINC000449356889 388181034 /nfs/dbraw/zinc/18/10/34/388181034.db2.gz BEYFOHJVRYCZBX-PWSUYJOCSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@@H](N[C@H](C)CCn1cccn1)C(F)F ZINC000449364771 388183140 /nfs/dbraw/zinc/18/31/40/388183140.db2.gz TVPLBLMHJCTGAL-NXEZZACHSA-N 0 1 231.290 2.295 20 0 BEADMN Cc1ccnc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000645988940 388118935 /nfs/dbraw/zinc/11/89/35/388118935.db2.gz LVLXVUIGUVAIQL-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN CN(Cc1ccncc1F)CC1CCC1 ZINC000448990623 388126039 /nfs/dbraw/zinc/12/60/39/388126039.db2.gz HUXMSPIDDZHPQN-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCCN(CCC)Cc1nccnc1OC ZINC000449001539 388127442 /nfs/dbraw/zinc/12/74/42/388127442.db2.gz DQCHGWGQOGPFJR-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCCCC1CC1 ZINC000646040019 388130216 /nfs/dbraw/zinc/13/02/16/388130216.db2.gz JJKPEDZXLQXGDX-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000449027008 388131260 /nfs/dbraw/zinc/13/12/60/388131260.db2.gz HDOYOFDXRYTPQZ-NWDGAFQWSA-N 0 1 249.358 2.496 20 0 BEADMN CO[C@H]1CCN(Cc2ccnn2C2CCCC2)C1 ZINC000449025677 388131415 /nfs/dbraw/zinc/13/14/15/388131415.db2.gz CUAPYEGKYBPJEW-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CCO[C@@H]1CCCN(Cc2conc2CC)C1 ZINC000646046168 388131910 /nfs/dbraw/zinc/13/19/10/388131910.db2.gz CJDIJIUVPJKGSR-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN c1cncc(CCN2CCOC[C@@H]2C2CCC2)c1 ZINC000646059482 388135043 /nfs/dbraw/zinc/13/50/43/388135043.db2.gz JQVBPBHTNWBZAT-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CCn1nnc(C)c1CN[C@H](C)c1ccccc1 ZINC000449063363 388137463 /nfs/dbraw/zinc/13/74/63/388137463.db2.gz MGAVPLVEXYJJLS-LLVKDONJSA-N 0 1 244.342 2.457 20 0 BEADMN CN(Cc1cnnn1-c1ccccc1)C(C)(C)C ZINC000646088665 388140022 /nfs/dbraw/zinc/14/00/22/388140022.db2.gz PDGOPMDMXWPJLV-UHFFFAOYSA-N 0 1 244.342 2.498 20 0 BEADMN CCc1nocc1CN1CCCOC(C)(C)C1 ZINC000646088838 388140573 /nfs/dbraw/zinc/14/05/73/388140573.db2.gz IUDOWZNHMQTSJA-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000449140602 388147611 /nfs/dbraw/zinc/14/76/11/388147611.db2.gz NYMUSLOUSPEOSJ-BZPMIXESSA-N 0 1 246.354 2.109 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646138838 388154141 /nfs/dbraw/zinc/15/41/41/388154141.db2.gz XBSLTANSBWTLAR-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccco1 ZINC000336662515 388260789 /nfs/dbraw/zinc/26/07/89/388260789.db2.gz OLQREIPEYOIMOH-IONNQARKSA-N 0 1 237.221 2.244 20 0 BEADMN CC[C@H]1C[C@H](CNC(CF)CF)CCO1 ZINC000449380056 388189135 /nfs/dbraw/zinc/18/91/35/388189135.db2.gz LVOWMHXVTJUYCQ-KOLCDFICSA-N 0 1 221.291 2.089 20 0 BEADMN CCC(CC)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456357301 388196345 /nfs/dbraw/zinc/19/63/45/388196345.db2.gz SAMOMVGTYFFIQT-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC(=O)NC1CCC(N[C@@H](C)C(C)(F)F)CC1 ZINC000449413523 388198376 /nfs/dbraw/zinc/19/83/76/388198376.db2.gz JGDGNAYKXYSEPK-PUSIOWJLSA-N 0 1 248.317 2.067 20 0 BEADMN CCn1ncnc1CN(CC1CCC1)C(C)C ZINC000488985394 388200891 /nfs/dbraw/zinc/20/08/91/388200891.db2.gz PFENPGJAEDONRQ-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN COc1c(O)cccc1CN1CC[C@@H]1C1CC1 ZINC000449425187 388202295 /nfs/dbraw/zinc/20/22/95/388202295.db2.gz HEHOJJXDVGFGDX-GFCCVEGCSA-N 0 1 233.311 2.385 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456524779 388205921 /nfs/dbraw/zinc/20/59/21/388205921.db2.gz GQQQIVROXRTKKX-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C2(CC)CC2)CC1 ZINC000456529970 388206806 /nfs/dbraw/zinc/20/68/06/388206806.db2.gz MIKNJEGEESFAPD-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489372335 388209953 /nfs/dbraw/zinc/20/99/53/388209953.db2.gz QOOFLVWJLZSETB-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CCC)C(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489433325 388214142 /nfs/dbraw/zinc/21/41/42/388214142.db2.gz VOBYGGAVVQQJEM-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CCC)C(=O)CN(C)[C@H]1CC1(C)C ZINC000489433325 388214143 /nfs/dbraw/zinc/21/41/43/388214143.db2.gz VOBYGGAVVQQJEM-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCO[C@@H]1CCN(Cc2cncs2)C[C@@H]1C ZINC000449489722 388217910 /nfs/dbraw/zinc/21/79/10/388217910.db2.gz AUAKGKYKVANNHH-CMPLNLGQSA-N 0 1 240.372 2.390 20 0 BEADMN C[N@@H+](Cc1cccnc1)[C@H](CO)CC(C)(C)C ZINC000449581533 388237752 /nfs/dbraw/zinc/23/77/52/388237752.db2.gz ARIXUPGZCYWEAU-ZDUSSCGKSA-N 0 1 236.359 2.311 20 0 BEADMN COCCN(Cc1cn[nH]c1C)c1ccccc1 ZINC000449578868 388237915 /nfs/dbraw/zinc/23/79/15/388237915.db2.gz SJLFRNHFZQIYJN-UHFFFAOYSA-N 0 1 245.326 2.371 20 0 BEADMN CCCc1ncc(CN[C@H](CC)COC)o1 ZINC000449613062 388243153 /nfs/dbraw/zinc/24/31/53/388243153.db2.gz QNWAUBWCUOXELY-SNVBAGLBSA-N 0 1 226.320 2.142 20 0 BEADMN CCOCCC1(CNCc2cc(C)on2)CC1 ZINC000459449975 388244491 /nfs/dbraw/zinc/24/44/91/388244491.db2.gz NSYAUJTYRKEHIP-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN CC[C@H](C)[NH+]1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000449633170 388246244 /nfs/dbraw/zinc/24/62/44/388246244.db2.gz SQJWWKIXIXKFNA-RWMBFGLXSA-N 0 1 210.365 2.059 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N[C@@H](C)C1 ZINC000451637480 388286603 /nfs/dbraw/zinc/28/66/03/388286603.db2.gz BKAYCWSGXCTLLA-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCCN1CCOc2ccc(OC)cc2C1 ZINC000451643758 388287196 /nfs/dbraw/zinc/28/71/96/388287196.db2.gz QSFFOCBBBNTBDP-UHFFFAOYSA-N 0 1 221.300 2.300 20 0 BEADMN CC[C@@H](F)CN1CC[N@@H+](CC)C[C@H]1CC ZINC000451740948 388292789 /nfs/dbraw/zinc/29/27/89/388292789.db2.gz MXCQLJOCMHJFJP-VXGBXAGGSA-N 0 1 216.344 2.151 20 0 BEADMN CC[C@H]1CN(CC)CC[N@H+]1CC1CC(F)(F)C1 ZINC000451741300 388292889 /nfs/dbraw/zinc/29/28/89/388292889.db2.gz NWUZNMXBXDEKAX-LBPRGKRZSA-N 0 1 246.345 2.448 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)CCCC(C)C)n[nH]1 ZINC000451749058 388293542 /nfs/dbraw/zinc/29/35/42/388293542.db2.gz OVSKWOOBWIEGHV-SECBINFHSA-N 0 1 238.335 2.117 20 0 BEADMN CCCN1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000491837695 388324467 /nfs/dbraw/zinc/32/44/67/388324467.db2.gz IOFKZHGZZROSJF-SREVYHEPSA-N 0 1 238.375 2.143 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2ncc(C)cn2)C1(C)C ZINC000451481885 388277169 /nfs/dbraw/zinc/27/71/69/388277169.db2.gz BQKDLZNPJWPMTL-BXUZGUMPSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2ncc(C)cn2)C1(C)C ZINC000451481887 388277354 /nfs/dbraw/zinc/27/73/54/388277354.db2.gz BQKDLZNPJWPMTL-FZMZJTMJSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2ncc(C)cn2)C1(C)C ZINC000451481890 388277559 /nfs/dbraw/zinc/27/75/59/388277559.db2.gz BQKDLZNPJWPMTL-SMDDNHRTSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1cscn1 ZINC000276156904 388345968 /nfs/dbraw/zinc/34/59/68/388345968.db2.gz QBACFZSHFHMWFA-XHNCKOQMSA-N 0 1 214.334 2.217 20 0 BEADMN C[C@@H](NCCF)c1ccc(Cl)nc1 ZINC000276391842 388348815 /nfs/dbraw/zinc/34/88/15/388348815.db2.gz IPEMHJINXCMYPQ-SSDOTTSWSA-N 0 1 202.660 2.355 20 0 BEADMN COCc1ccc(CNCC=C(C)C)o1 ZINC000276634442 388351449 /nfs/dbraw/zinc/35/14/49/388351449.db2.gz OWPGBBIBIFVWDM-UHFFFAOYSA-N 0 1 209.289 2.482 20 0 BEADMN CNC(=O)C[C@H](C)NCc1cscc1Cl ZINC000648786347 388354988 /nfs/dbraw/zinc/35/49/88/388354988.db2.gz IBWLRNUYZWLJGJ-ZETCQYMHSA-N 0 1 246.763 2.016 20 0 BEADMN CC(C)(CCO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293647070 388355864 /nfs/dbraw/zinc/35/58/64/388355864.db2.gz SDXGAMKNHCLLAP-UHFFFAOYSA-N 0 1 243.734 2.296 20 0 BEADMN Cc1sccc1CNC[C@H](O)C(F)(F)F ZINC000293649272 388355983 /nfs/dbraw/zinc/35/59/83/388355983.db2.gz SICPEVIZULKTJX-QMMMGPOBSA-N 0 1 239.262 2.069 20 0 BEADMN C[C@H](CCO)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293674208 388357744 /nfs/dbraw/zinc/35/77/44/388357744.db2.gz VBXKVHOOLCTPHC-SECBINFHSA-N 0 1 243.734 2.154 20 0 BEADMN O=C([O-])C[N@@H+](CCCF)Cc1ccc(F)cc1 ZINC000572728718 388370967 /nfs/dbraw/zinc/37/09/67/388370967.db2.gz CEOGXFNENITLJT-UHFFFAOYSA-N 0 1 243.253 2.072 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1ccc(Cl)cc1 ZINC000648799740 388371089 /nfs/dbraw/zinc/37/10/89/388371089.db2.gz UNVHJSLGDYRLKU-BXKDBHETSA-N 0 1 225.719 2.295 20 0 BEADMN Cc1occc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000572852791 388381632 /nfs/dbraw/zinc/38/16/32/388381632.db2.gz MWGSKUUVGBWOOD-UHFFFAOYSA-N 0 1 247.342 2.386 20 0 BEADMN C[C@H](C[N@@H+](C1CC1)[C@@H]1C=CCCC1)C(=O)[O-] ZINC000572890748 388384007 /nfs/dbraw/zinc/38/40/07/388384007.db2.gz JTJWSAJAWSSSCC-GHMZBOCLSA-N 0 1 223.316 2.280 20 0 BEADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236988722 388387920 /nfs/dbraw/zinc/38/79/20/388387920.db2.gz XWCJGPITLZYMID-JQWIXIFHSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@H](CNCc1cscn1)OC ZINC000293795211 388392261 /nfs/dbraw/zinc/39/22/61/388392261.db2.gz XRWPRLGZSBDTDU-SNVBAGLBSA-N 0 1 214.334 2.048 20 0 BEADMN CS[C@H](C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000293846755 388392710 /nfs/dbraw/zinc/39/27/10/388392710.db2.gz CHPNSFPVJLKMEA-BBBLOLIVSA-N 0 1 225.361 2.230 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCSC2(CCCCC2)C1 ZINC000237445100 388394871 /nfs/dbraw/zinc/39/48/71/388394871.db2.gz MUSFHPQIRDAFJZ-SNVBAGLBSA-N 0 1 243.372 2.211 20 0 BEADMN CC(F)(F)CCNCc1cn2ccccc2n1 ZINC000294195236 388396348 /nfs/dbraw/zinc/39/63/48/388396348.db2.gz LKTSWNPADLISDM-UHFFFAOYSA-N 0 1 239.269 2.469 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)n[nH]1 ZINC000264229145 177756123 /nfs/dbraw/zinc/75/61/23/177756123.db2.gz LVPBJTGEPXKKLQ-NSHDSACASA-N 0 1 235.331 2.369 20 0 BEADMN Cn1cncc1CN[C@H]1CCc2cc(F)ccc21 ZINC000237944831 388399519 /nfs/dbraw/zinc/39/95/19/388399519.db2.gz HSRALPQZFMFGOM-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN CC[C@H](C)CN(C)Cc1cc(C(C)=O)no1 ZINC000572981799 388402702 /nfs/dbraw/zinc/40/27/02/388402702.db2.gz BQLVYNJAUBIHGS-VIFPVBQESA-N 0 1 224.304 2.355 20 0 BEADMN O=C(/C=C\C1CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000492071885 388333873 /nfs/dbraw/zinc/33/38/73/388333873.db2.gz ZEXHVSHYJNSZJX-ARJAWSKDSA-N 0 1 245.326 2.082 20 0 BEADMN C/C=C/C=C\C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000492263150 388339572 /nfs/dbraw/zinc/33/95/72/388339572.db2.gz ROTPXDRZCQUQJX-CEBKQCASSA-N 0 1 236.359 2.060 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1cnccn1 ZINC000308546669 388442678 /nfs/dbraw/zinc/44/26/78/388442678.db2.gz PITKFBQEHJJGMQ-NSHDSACASA-N 0 1 237.347 2.332 20 0 BEADMN c1cn2c(n1)[C@H](N[C@@H]1CC13CCCC3)CC2 ZINC000334590294 388445779 /nfs/dbraw/zinc/44/57/79/388445779.db2.gz CDWPSZWDDDUTBI-GHMZBOCLSA-N 0 1 217.316 2.250 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C)c1 ZINC000393928986 388446768 /nfs/dbraw/zinc/44/67/68/388446768.db2.gz HWSAPCNKMDPYAN-YUSALJHKSA-N 0 1 225.311 2.351 20 0 BEADMN CCCOc1ccc(CNCC2(F)CC2)cn1 ZINC000525981835 388446977 /nfs/dbraw/zinc/44/69/77/388446977.db2.gz WJPUHNQTTPFGHC-UHFFFAOYSA-N 0 1 238.306 2.462 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC2(C)C)n1 ZINC000335615962 388451761 /nfs/dbraw/zinc/45/17/61/388451761.db2.gz FHVVPMBIDSQIAZ-SNVBAGLBSA-N 0 1 227.739 2.352 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@H]2C)oc1C ZINC000335589806 388452072 /nfs/dbraw/zinc/45/20/72/388452072.db2.gz CGQGEWIHYXREBI-GMSGAONNSA-N 0 1 226.345 2.133 20 0 BEADMN Cn1cnc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000335919472 388455109 /nfs/dbraw/zinc/45/51/09/388455109.db2.gz LJIIQFSEHUWNFO-LLVKDONJSA-N 0 1 234.347 2.018 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1cc(F)cc(F)c1 ZINC000336093554 388456486 /nfs/dbraw/zinc/45/64/86/388456486.db2.gz JSYDBAXAWNFRSC-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN CC(C)CCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000045837668 388458935 /nfs/dbraw/zinc/45/89/35/388458935.db2.gz MAYXFLNJTQLBTO-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1nc(C)cs1 ZINC000336671799 388461222 /nfs/dbraw/zinc/46/12/22/388461222.db2.gz ZGUSHNCWUJLQMP-BDAKNGLRSA-N 0 1 228.386 2.435 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000082776913 256748215 /nfs/dbraw/zinc/74/82/15/256748215.db2.gz PAUFUMGTWWVRGH-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCNC(=O)CN(C)CC/C=C\c1ccccc1 ZINC000649250485 388469636 /nfs/dbraw/zinc/46/96/36/388469636.db2.gz GKGBMPRXRWWEQO-XFFZJAGNSA-N 0 1 246.354 2.158 20 0 BEADMN C[C@@H](CN[C@@H](C)c1nccn1C)C(F)(F)F ZINC000336726942 388470199 /nfs/dbraw/zinc/47/01/99/388470199.db2.gz BVWIEDMDLWXGJO-YUMQZZPRSA-N 0 1 235.253 2.269 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H](O)C2CCC2)cs1 ZINC000316271438 388407843 /nfs/dbraw/zinc/40/78/43/388407843.db2.gz GTSSZVVWNIHURL-PRHODGIISA-N 0 1 240.372 2.263 20 0 BEADMN CC[C@](C)(CNCc1csc(C)n1)OC ZINC000322654266 388410098 /nfs/dbraw/zinc/41/00/98/388410098.db2.gz YLLNVPWEAIKPQH-LLVKDONJSA-N 0 1 228.361 2.356 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000172780748 388411106 /nfs/dbraw/zinc/41/11/06/388411106.db2.gz VINLJNQRIXKQOK-GHMZBOCLSA-N 0 1 249.358 2.378 20 0 BEADMN CCc1ccc(CNCC2=CCCOC2)o1 ZINC000288399945 388413525 /nfs/dbraw/zinc/41/35/25/388413525.db2.gz HVXXZPKBNZWNIQ-UHFFFAOYSA-N 0 1 221.300 2.278 20 0 BEADMN CCC[C@@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000177250925 388478988 /nfs/dbraw/zinc/47/89/88/388478988.db2.gz MXVWJIDVDCPJFJ-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN c1nnn2c1CN(CCC1CCCCC1)CC2 ZINC000573134496 388422738 /nfs/dbraw/zinc/42/27/38/388422738.db2.gz LJXXMIIVRBBLTJ-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CC1(C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000525337630 388426268 /nfs/dbraw/zinc/42/62/68/388426268.db2.gz YMPXEMBKDQXPBJ-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN CCC1(CC)CN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307936162 388428673 /nfs/dbraw/zinc/42/86/73/388428673.db2.gz MTEMOQQHNCYEBJ-VIFPVBQESA-N 0 1 239.281 2.422 20 0 BEADMN C[C@@H](CC1CC1)NCc1nn(C)cc1Cl ZINC000393426975 388429226 /nfs/dbraw/zinc/42/92/26/388429226.db2.gz PDDSZQXHGRBQGM-QMMMGPOBSA-N 0 1 227.739 2.352 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000308089851 388431658 /nfs/dbraw/zinc/43/16/58/388431658.db2.gz PFRSYBROJUXDSX-VHSXEESVSA-N 0 1 238.335 2.054 20 0 BEADMN CCCN(CCC)C(=O)CN1[C@@H](C)C[C@@H]1C ZINC000548426336 388537296 /nfs/dbraw/zinc/53/72/96/388537296.db2.gz SRFHUXQELBZZSL-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](C(C)C)C1 ZINC000517070761 388537734 /nfs/dbraw/zinc/53/77/34/388537734.db2.gz WJSAQZNIHUWMEX-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN Cc1cnn(C)c1CN[C@@H](C)c1cncc(F)c1 ZINC000352736752 388538370 /nfs/dbraw/zinc/53/83/70/388538370.db2.gz MUXJTZIHVANLQF-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN C/C(Cl)=C/CN1CCCC[C@H]1c1nnc[nH]1 ZINC000528515979 388539924 /nfs/dbraw/zinc/53/99/24/388539924.db2.gz IGNZQKAHGODICY-BSKOKIOFSA-N 0 1 240.738 2.474 20 0 BEADMN C/C(Cl)=C/C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000528523435 388542005 /nfs/dbraw/zinc/54/20/05/388542005.db2.gz XLJBFXJGPXIUPY-YHYXMXQVSA-N 0 1 239.750 2.311 20 0 BEADMN CN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000079645662 388542142 /nfs/dbraw/zinc/54/21/42/388542142.db2.gz NUDVXESCOKIHHX-UHFFFAOYSA-N 0 1 247.323 2.373 20 0 BEADMN CCCC[C@@H](COC)NCc1nc(C)c(C)[nH]1 ZINC000520839800 388543504 /nfs/dbraw/zinc/54/35/04/388543504.db2.gz SUQPYJUGYFACJY-LBPRGKRZSA-N 0 1 239.363 2.321 20 0 BEADMN C[C@@H](O)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000649287192 388543907 /nfs/dbraw/zinc/54/39/07/388543907.db2.gz MBTKNCVXDWKZSA-HIFRSBDPSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@H](NCc1ncc(Cl)s1)C(C)(C)O ZINC000339539442 388484890 /nfs/dbraw/zinc/48/48/90/388484890.db2.gz MGFLKSAKOQZDMQ-ZETCQYMHSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@@H](C)CNc1cc2c(cn1)CCC2 ZINC000339557455 388485337 /nfs/dbraw/zinc/48/53/37/388485337.db2.gz YEYWRNLSDYQVAC-SNVBAGLBSA-N 0 1 204.317 2.450 20 0 BEADMN CC(C)n1ncnc1CNC1(C(C)C)CC1 ZINC000339518016 388485433 /nfs/dbraw/zinc/48/54/33/388485433.db2.gz YDBBXVNCGNAJTE-UHFFFAOYSA-N 0 1 222.336 2.137 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1CCCCN1CC ZINC000177697071 388490025 /nfs/dbraw/zinc/49/00/25/388490025.db2.gz ZMISNZVIEVXUBX-LBPRGKRZSA-N 0 1 226.364 2.166 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1nncn1C ZINC000135312108 388490069 /nfs/dbraw/zinc/49/00/69/388490069.db2.gz DKSVQXSGAYXBIX-LBPRGKRZSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCC[C@@]1(C)CO ZINC000547832060 388490312 /nfs/dbraw/zinc/49/03/12/388490312.db2.gz ZERNFURHATZFES-AWEZNQCLSA-N 0 1 237.318 2.481 20 0 BEADMN CC(C)C1CCN([C@H](C)c2nccc(N)n2)CC1 ZINC000517387854 388548679 /nfs/dbraw/zinc/54/86/79/388548679.db2.gz OQCQVXCFQQMMQI-LLVKDONJSA-N 0 1 248.374 2.318 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CC[N@H+]1C1CCCC1 ZINC000547837046 388491621 /nfs/dbraw/zinc/49/16/21/388491621.db2.gz XJIJBEWEEBYYCQ-ZYHUDNBSSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(C)(C)C(C)(F)F ZINC000405973102 388497127 /nfs/dbraw/zinc/49/71/27/388497127.db2.gz JOKJCKZWNMVZSC-UHFFFAOYSA-N 0 1 245.273 2.016 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN2CCn3nncc3C2)C1 ZINC000517390698 388549124 /nfs/dbraw/zinc/54/91/24/388549124.db2.gz JKKFBHIZEKJWOE-AAEUAGOBSA-N 0 1 246.358 2.086 20 0 BEADMN CC[C@@]1(C)CN(CCOC(C)(C)C)CCO1 ZINC000135710437 388506021 /nfs/dbraw/zinc/50/60/21/388506021.db2.gz ABHGHCZPPXXLBH-ZDUSSCGKSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@H](C(=O)N(C)C)c1ccccc1 ZINC000548096387 388510453 /nfs/dbraw/zinc/51/04/53/388510453.db2.gz OPXIEPLOJYHXLR-SCRDCRAPSA-N 0 1 246.354 2.299 20 0 BEADMN CCc1nc(CNCC2=CCOCC2)cs1 ZINC000397902043 388510776 /nfs/dbraw/zinc/51/07/76/388510776.db2.gz XVWAYPVJKBUNJX-UHFFFAOYSA-N 0 1 238.356 2.142 20 0 BEADMN COCCC1CCN(Cc2cc(C)ncn2)CC1 ZINC000528580708 388549520 /nfs/dbraw/zinc/54/95/20/388549520.db2.gz HVUZNAZUKOMCHK-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@@H]1C[C@H](NCCc2ccco2)c2nccn21 ZINC000345359798 388513186 /nfs/dbraw/zinc/51/31/86/388513186.db2.gz YBMBRDHOLVFBKY-PWSUYJOCSA-N 0 1 231.299 2.314 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC1CC(C)(C)C1 ZINC000528388559 388519320 /nfs/dbraw/zinc/51/93/20/388519320.db2.gz NZGQHCIGVACNKM-GDLVEWKHSA-N 0 1 243.416 2.264 20 0 BEADMN CC(C)c1nc(CN(C)c2cccc(O)c2)n[nH]1 ZINC000516837176 388519708 /nfs/dbraw/zinc/51/97/08/388519708.db2.gz LPLANHCUXKYFCJ-UHFFFAOYSA-N 0 1 246.314 2.270 20 0 BEADMN CCCCN(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000520835032 388520252 /nfs/dbraw/zinc/52/02/52/388520252.db2.gz VTWIYXSZBFLKHN-NSHDSACASA-N 0 1 237.347 2.237 20 0 BEADMN C[C@H]([NH2+]Cc1cccc([O-])c1Cl)C(C)(C)O ZINC000378853883 388521888 /nfs/dbraw/zinc/52/18/88/388521888.db2.gz IGGOJUPUTIZXQL-QMMMGPOBSA-N 0 1 243.734 2.295 20 0 BEADMN Cc1ccccc1CNC(=O)CN1[C@H](C)C[C@@H]1C ZINC000517004544 388530852 /nfs/dbraw/zinc/53/08/52/388530852.db2.gz DLPUEURDAMAPCM-BETUJISGSA-N 0 1 246.354 2.094 20 0 BEADMN COC(=O)c1sccc1CN(C)CC1CC1 ZINC000088496628 388531243 /nfs/dbraw/zinc/53/12/43/388531243.db2.gz AQJSUPFBJBUJOQ-UHFFFAOYSA-N 0 1 239.340 2.377 20 0 BEADMN CCCN(Cc1cc(COC)on1)C(C)C ZINC000516981652 388531330 /nfs/dbraw/zinc/53/13/30/388531330.db2.gz TXDCAPQHROYWRQ-UHFFFAOYSA-N 0 1 226.320 2.441 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(C)(C)C1 ZINC000517040757 388534717 /nfs/dbraw/zinc/53/47/17/388534717.db2.gz XJFDSGMFSZBUTK-JTQLQIEISA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000517042100 388535625 /nfs/dbraw/zinc/53/56/25/388535625.db2.gz LUMLJKMISIZAAQ-LZGFCCKTSA-N 0 1 233.311 2.495 20 0 BEADMN c1nnc(-c2ccccc2OC[C@@H]2CCCO2)[nH]1 ZINC000517046224 388535997 /nfs/dbraw/zinc/53/59/97/388535997.db2.gz CGGYYOWBXRVFGH-JTQLQIEISA-N 0 1 245.282 2.030 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1CC(C)(C)C1 ZINC000530164541 388617837 /nfs/dbraw/zinc/61/78/37/388617837.db2.gz YWPJABULKPLGDW-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN NCC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000649314552 388602853 /nfs/dbraw/zinc/60/28/53/388602853.db2.gz BJNLTTFKBWHKTE-UHFFFAOYSA-N 0 1 247.342 2.328 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc2occc2c1 ZINC000530003649 388602894 /nfs/dbraw/zinc/60/28/94/388602894.db2.gz IKAATOPVZITLJJ-LBPRGKRZSA-N 0 1 244.294 2.466 20 0 BEADMN O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccoc1 ZINC000530026945 388605385 /nfs/dbraw/zinc/60/53/85/388605385.db2.gz DYLGMDNYYDSDMV-ZDUSSCGKSA-N 0 1 248.326 2.026 20 0 BEADMN CC(C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530027977 388605960 /nfs/dbraw/zinc/60/59/60/388605960.db2.gz SEVPKOQARVCQOT-ZDUSSCGKSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@@H]2CCCCO2)on1 ZINC000379305034 388606712 /nfs/dbraw/zinc/60/67/12/388606712.db2.gz SQIHCRSYUQETHG-JQWIXIFHSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CN[C@H](C)[C@H]2CCCCO2)on1 ZINC000379305036 388606983 /nfs/dbraw/zinc/60/69/83/388606983.db2.gz SQIHCRSYUQETHG-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CC(=O)Nc2ccccc2C)n[nH]1 ZINC000082320722 388613519 /nfs/dbraw/zinc/61/35/19/388613519.db2.gz ASCJNRHELOTNLX-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN CCN1[C@H](C)CN(Cc2ccns2)C[C@@H]1C ZINC000630073136 388614655 /nfs/dbraw/zinc/61/46/55/388614655.db2.gz ABJNHIMHBFKVJA-PHIMTYICSA-N 0 1 239.388 2.058 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1n[nH]c2ccccc21 ZINC000080116419 388552852 /nfs/dbraw/zinc/55/28/52/388552852.db2.gz FSOLTAMPKYIIAD-SNVBAGLBSA-N 0 1 241.294 2.401 20 0 BEADMN COC(=O)c1cc(CN2[C@@H](C)C[C@@H]2C)oc1C ZINC000548752735 388556106 /nfs/dbraw/zinc/55/61/06/388556106.db2.gz FDIMODUDHUGPQI-IUCAKERBSA-N 0 1 237.299 2.357 20 0 BEADMN CCC1(C)CN(C[C@](C)(O)C(F)(F)F)C1 ZINC000359502129 388556272 /nfs/dbraw/zinc/55/62/72/388556272.db2.gz DUPLQGPTABNBIF-VIFPVBQESA-N 0 1 225.254 2.032 20 0 BEADMN O=C(NCC1CCCC1)[C@@H]1CCCc2[nH]cnc21 ZINC000548738435 388556450 /nfs/dbraw/zinc/55/64/50/388556450.db2.gz HOYIBHWFIJDDJP-LLVKDONJSA-N 0 1 247.342 2.136 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CCOCC(F)(F)F ZINC000548754011 388557140 /nfs/dbraw/zinc/55/71/40/388557140.db2.gz GANLEIFCUYFYGU-HTQZYQBOSA-N 0 1 211.227 2.048 20 0 BEADMN CCOC[C@@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000528719395 388560196 /nfs/dbraw/zinc/56/01/96/388560196.db2.gz MVWBETRJLMYIEX-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1cccs1 ZINC000261537137 388562074 /nfs/dbraw/zinc/56/20/74/388562074.db2.gz UYOXRVDPQBWPGL-RKDXNWHRSA-N 0 1 225.313 2.358 20 0 BEADMN CC[C@H](F)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000521257663 388566774 /nfs/dbraw/zinc/56/67/74/388566774.db2.gz NZEIYVGBDNDSQL-VHSXEESVSA-N 0 1 219.300 2.166 20 0 BEADMN CC(C)OC1CCN(Cc2cccnc2N)CC1 ZINC000517503637 256826277 /nfs/dbraw/zinc/82/62/77/256826277.db2.gz IEXKMFXNYCAOEW-UHFFFAOYSA-N 0 1 249.358 2.053 20 0 BEADMN C[C@@H](O)CCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528775319 388571187 /nfs/dbraw/zinc/57/11/87/388571187.db2.gz XKUQWNAMTSVCIR-NXEZZACHSA-N 0 1 221.291 2.267 20 0 BEADMN Cc1cncc([C@H](C)NCC[NH+]2CCCC2)c1 ZINC000184258488 388576217 /nfs/dbraw/zinc/57/62/17/388576217.db2.gz HMYMJMLJVHLKGJ-ZDUSSCGKSA-N 0 1 233.359 2.136 20 0 BEADMN C[C@H](NC[C@H](O)C(C)(C)C)c1ncccc1F ZINC000528822215 388576456 /nfs/dbraw/zinc/57/64/56/388576456.db2.gz AOMKLWUFKJFQTL-ONGXEEELSA-N 0 1 240.322 2.278 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C)O1)c1ncccc1F ZINC000528823666 388576665 /nfs/dbraw/zinc/57/66/65/388576665.db2.gz MRLQRBIEYXHOHH-DCAQKATOSA-N 0 1 238.306 2.439 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1O)c1ncccc1F ZINC000528825223 388576681 /nfs/dbraw/zinc/57/66/81/388576681.db2.gz PWJOVWZSHJQDSJ-MVWJERBFSA-N 0 1 238.306 2.175 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C)O1)c1ncccc1F ZINC000528823667 388576768 /nfs/dbraw/zinc/57/67/68/388576768.db2.gz MRLQRBIEYXHOHH-GARJFASQSA-N 0 1 238.306 2.439 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ncccc1F)C1CC1 ZINC000528824522 388576874 /nfs/dbraw/zinc/57/68/74/388576874.db2.gz OWKWUUXNPPSRTI-CABZTGNLSA-N 0 1 238.306 2.296 20 0 BEADMN CC/C=C/CCN(C)CC(=O)NC(C)(C)C ZINC000184426797 388578239 /nfs/dbraw/zinc/57/82/39/388578239.db2.gz JMYPLXZTPLURKP-BQYQJAHWSA-N 0 1 226.364 2.189 20 0 BEADMN CCOC[C@@H]1CCN(Cc2nc(C)c(C)o2)C1 ZINC000081521725 388579620 /nfs/dbraw/zinc/57/96/20/388579620.db2.gz YZKQMHWDOPNECQ-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1C ZINC000076610601 388582250 /nfs/dbraw/zinc/58/22/50/388582250.db2.gz UPJIGBUAOACQBG-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CCCCN1CCC[C@H]1C(=O)OC(C)C ZINC000125330445 388671005 /nfs/dbraw/zinc/67/10/05/388671005.db2.gz YWLWOJPDNBAWRA-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CC[C@H]1CCN(CC(=O)Nc2ccccc2)C1 ZINC000125588339 388673125 /nfs/dbraw/zinc/67/31/25/388673125.db2.gz JMANQQOZNWTOGF-LBPRGKRZSA-N 0 1 232.327 2.357 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000522007334 388674141 /nfs/dbraw/zinc/67/41/41/388674141.db2.gz FBWRTZDDOZOZEZ-ZDUSSCGKSA-N 0 1 249.285 2.047 20 0 BEADMN COC(=O)CN(CCCSC)C1CCCC1 ZINC000125758864 388677000 /nfs/dbraw/zinc/67/70/00/388677000.db2.gz WAIDFWCYBKZJBK-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCCCC2)o1 ZINC000077675857 388677525 /nfs/dbraw/zinc/67/75/25/388677525.db2.gz SOBCINNUTIDEGR-SECBINFHSA-N 0 1 209.293 2.315 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000192653365 388681649 /nfs/dbraw/zinc/68/16/49/388681649.db2.gz ZPUMDEDDGPYWFG-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCN(Cc1nc(CC)no1)CC1CC1 ZINC000253605331 388619762 /nfs/dbraw/zinc/61/97/62/388619762.db2.gz SMTLGXSCCCZBHU-UHFFFAOYSA-N 0 1 223.320 2.254 20 0 BEADMN C[C@@H]1CC(F)(F)CC[N@H+]1CCCCC(=O)[O-] ZINC000530174707 388620473 /nfs/dbraw/zinc/62/04/73/388620473.db2.gz ZCPMHNKOZLICTE-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN CC(C)CC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530171682 388620652 /nfs/dbraw/zinc/62/06/52/388620652.db2.gz ZKCCSYOZWSJNMM-LBPRGKRZSA-N 0 1 237.299 2.310 20 0 BEADMN C[C@H]1CC(F)(F)CC[N@H+]1CCCCC(=O)[O-] ZINC000530174708 388620696 /nfs/dbraw/zinc/62/06/96/388620696.db2.gz ZCPMHNKOZLICTE-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530174697 388620793 /nfs/dbraw/zinc/62/07/93/388620793.db2.gz YTEARMHWKAOPME-RMPHRYRLSA-N 0 1 225.332 2.216 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530174698 388620812 /nfs/dbraw/zinc/62/08/12/388620812.db2.gz YTEARMHWKAOPME-ZIQFBCGOSA-N 0 1 225.332 2.216 20 0 BEADMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](CC2CC2)C1 ZINC000521634599 388621536 /nfs/dbraw/zinc/62/15/36/388621536.db2.gz QBHKZBKQTLWMFM-OAHLLOKOSA-N 0 1 245.322 2.125 20 0 BEADMN COC[C@@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000551089880 388621783 /nfs/dbraw/zinc/62/17/83/388621783.db2.gz VWWUDCGMOAFKNY-KBPBESRZSA-N 0 1 239.359 2.223 20 0 BEADMN COc1ccc(F)cc1CNCc1cc[nH]c1 ZINC000189200510 388626283 /nfs/dbraw/zinc/62/62/83/388626283.db2.gz RJDGLANZXOXOMU-UHFFFAOYSA-N 0 1 234.274 2.452 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000530207264 388627002 /nfs/dbraw/zinc/62/70/02/388627002.db2.gz FKNSPCBPWMAQBZ-MWLCHTKSSA-N 0 1 225.332 2.075 20 0 BEADMN CCN(CC(=O)N1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000246380973 388634215 /nfs/dbraw/zinc/63/42/15/388634215.db2.gz ZOIWNZOKZSFRLY-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN c1nc2c[nH]cc(-c3cnc(C4CC4)o3)c-2n1 ZINC000530252060 388640445 /nfs/dbraw/zinc/64/04/45/388640445.db2.gz YDNAWIMUJZTBIJ-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN c1nc2cncc(-c3cnc(C4CC4)o3)c2[nH]1 ZINC000530252060 388640447 /nfs/dbraw/zinc/64/04/47/388640447.db2.gz YDNAWIMUJZTBIJ-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN C[C@H](C[C@H](C)O)[NH2+]Cc1cccc([O-])c1Cl ZINC000328483930 388644726 /nfs/dbraw/zinc/64/47/26/388644726.db2.gz QMYWNRWWLBYKDS-BDAKNGLRSA-N 0 1 243.734 2.295 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1C[C@H]1c1ccccc1 ZINC000530279118 388647024 /nfs/dbraw/zinc/64/70/24/388647024.db2.gz GAGJULLMTAWGOS-BNOWGMLFSA-N 0 1 247.338 2.283 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000530279123 388647129 /nfs/dbraw/zinc/64/71/29/388647129.db2.gz GAGJULLMTAWGOS-KWCYVHTRSA-N 0 1 247.338 2.283 20 0 BEADMN Cc1nocc1CN1CCC(OC(C)C)CC1 ZINC000551948330 388648714 /nfs/dbraw/zinc/64/87/14/388648714.db2.gz WVDZIMHGTJNKRS-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1nccs1 ZINC000246737727 388650498 /nfs/dbraw/zinc/65/04/98/388650498.db2.gz FCRCIWRMSWHFRI-LPEHRKFASA-N 0 1 226.345 2.361 20 0 BEADMN CN(CC1CCCC1)CN1CC(C)(C)OC1=O ZINC000124034658 388660314 /nfs/dbraw/zinc/66/03/14/388660314.db2.gz OMIAAUQQRDWOEB-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)N2C[C@@H](C)N[C@H](C)C2)C1 ZINC000247446415 388663625 /nfs/dbraw/zinc/66/36/25/388663625.db2.gz YFLWDJPGSHYQCO-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421353 388735328 /nfs/dbraw/zinc/73/53/28/388735328.db2.gz ZDNSELALHORWSZ-NEPJUHHUSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ncc(C(=O)N(C)CCC(C)(C)C)[nH]1 ZINC000649026847 388735503 /nfs/dbraw/zinc/73/55/03/388735503.db2.gz IQMCMGRFHQIBKZ-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@](C)(O)C(F)(F)F)[C@H]1C ZINC000337181479 388743197 /nfs/dbraw/zinc/74/31/97/388743197.db2.gz MPSVHROHEGWRFK-HRDYMLBCSA-N 0 1 225.254 2.030 20 0 BEADMN CCCN(C(=O)C1=CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998794 388687592 /nfs/dbraw/zinc/68/75/92/388687592.db2.gz RRRAPNAVDGMUMX-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H]([C@H](C)O)C2)o1 ZINC000552437795 388708542 /nfs/dbraw/zinc/70/85/42/388708542.db2.gz VNUJCCFMEMHJNB-SRVKXCTJSA-N 0 1 238.331 2.137 20 0 BEADMN CCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000127009998 388710523 /nfs/dbraw/zinc/71/05/23/388710523.db2.gz VKEVPMBOEOMKLS-UHFFFAOYSA-N 0 1 226.707 2.230 20 0 BEADMN Cc1ccc(CNCc2ccc(C)nc2)nc1 ZINC000126984557 388711142 /nfs/dbraw/zinc/71/11/42/388711142.db2.gz CTDPHCLIFPCSAD-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC1(C)CCN1Cc1cc(-c2cccnc2)n[nH]1 ZINC000538735881 388714426 /nfs/dbraw/zinc/71/44/26/388714426.db2.gz KJZPRLBQJGANQB-UHFFFAOYSA-N 0 1 242.326 2.456 20 0 BEADMN COCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127279645 388720513 /nfs/dbraw/zinc/72/05/13/388720513.db2.gz YLTKNPQBVBOEQO-LLVKDONJSA-N 0 1 208.305 2.111 20 0 BEADMN CC[N@@H+](CC(=O)N(C)c1ccccc1)C(C)C ZINC000194093116 388723432 /nfs/dbraw/zinc/72/34/32/388723432.db2.gz XFDSLHQOFVPJKM-UHFFFAOYSA-N 0 1 234.343 2.380 20 0 BEADMN Cc1cc(C[N@@H+](CCO)C2CC2)c(C)s1 ZINC000194384125 388730611 /nfs/dbraw/zinc/73/06/11/388730611.db2.gz WHJBFAYOFGAMLA-UHFFFAOYSA-N 0 1 225.357 2.322 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCC(C)CC1 ZINC000067226765 388730661 /nfs/dbraw/zinc/73/06/61/388730661.db2.gz DSCDQVPSLQBFRV-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@H](O)C1)c1cscn1 ZINC000127870513 388732604 /nfs/dbraw/zinc/73/26/04/388732604.db2.gz ZSELVWXDCJSKJB-AXFHLTTASA-N 0 1 240.372 2.345 20 0 BEADMN CO[C@@H]1CCC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000648750664 388805305 /nfs/dbraw/zinc/80/53/05/388805305.db2.gz UNNNIIAYASKURI-TZMCWYRMSA-N 0 1 245.326 2.220 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(c1)COC2 ZINC000092049189 388782675 /nfs/dbraw/zinc/78/26/75/388782675.db2.gz WRBCHUYIZAYODN-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CC[C@H]1CN(C)CCN1c1nc2ccccc2o1 ZINC000555240822 388843702 /nfs/dbraw/zinc/84/37/02/388843702.db2.gz PENMCBOGAOGHSL-NSHDSACASA-N 0 1 245.326 2.358 20 0 BEADMN CN1CCC[C@@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000540907688 388824395 /nfs/dbraw/zinc/82/43/95/388824395.db2.gz IDMOZMJIMIWAEM-UONOGXRCSA-N 0 1 244.338 2.054 20 0 BEADMN CCn1ccnc1CNc1cc2c(cn1)CCC2 ZINC000555636891 388858213 /nfs/dbraw/zinc/85/82/13/388858213.db2.gz CSMRHFFJJONHGB-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)n[nH]1 ZINC001645510441 1172676261 /nfs/dbraw/zinc/67/62/61/1172676261.db2.gz QMOLOQBSGACGTN-IRUJWGPZSA-N 0 1 247.342 2.428 20 0 BEADMN CC1(CN2CC[S@@](=O)C(C)(C)CC2)CC1 ZINC000556161816 388869396 /nfs/dbraw/zinc/86/93/96/388869396.db2.gz OXIIJVFHUIGWOP-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN CCCCCN(C)[C@@H](C)C(=O)OC(C)C ZINC000129768863 388869836 /nfs/dbraw/zinc/86/98/36/388869836.db2.gz LNZJJFYSCWXJJH-NSHDSACASA-N 0 1 215.337 2.449 20 0 BEADMN c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)n[nH]1 ZINC000093666224 388846706 /nfs/dbraw/zinc/84/67/06/388846706.db2.gz NWTOXJDXXPAYPF-AWEZNQCLSA-N 0 1 249.358 2.333 20 0 BEADMN CC(C)N(Cc1cnc[nH]1)Cc1ccccn1 ZINC000555424904 388850673 /nfs/dbraw/zinc/85/06/73/388850673.db2.gz NEWYYKXFGJFVSX-UHFFFAOYSA-N 0 1 230.315 2.215 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC000564661667 388883303 /nfs/dbraw/zinc/88/33/03/388883303.db2.gz SKTFZBKATVVKTP-GFCCVEGCSA-N 0 1 236.315 2.013 20 0 BEADMN Cc1ccc(C2(NC(=O)CN(C)C)CCC2)cc1 ZINC000649165679 388885132 /nfs/dbraw/zinc/88/51/32/388885132.db2.gz VLPBEQHQRSBMOR-UHFFFAOYSA-N 0 1 246.354 2.052 20 0 BEADMN CC[C@H]1CCCN(Cc2snnc2C)C1 ZINC000564701928 388885450 /nfs/dbraw/zinc/88/54/50/388885450.db2.gz MXESCMSTYNWKQV-JTQLQIEISA-N 0 1 225.361 2.469 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCCF)C[C@@H]1C(=O)[O-] ZINC000564964920 388902026 /nfs/dbraw/zinc/90/20/26/388902026.db2.gz FPFAPWWEOBSIAT-QWRGUYRKSA-N 0 1 231.311 2.169 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000564464829 388875588 /nfs/dbraw/zinc/87/55/88/388875588.db2.gz ZMZUSNDTCMRDAO-SUNKGSAMSA-N 0 1 248.326 2.185 20 0 BEADMN c1cn(-c2ccccc2)nc1CN1CCCC1 ZINC000129970434 388878733 /nfs/dbraw/zinc/87/87/33/388878733.db2.gz DLUJGOIHTNLFBS-UHFFFAOYSA-N 0 1 227.311 2.468 20 0 BEADMN CC(C)C[N@@H+](CCOC(C)(C)C)CCC(=O)[O-] ZINC000565104314 388915132 /nfs/dbraw/zinc/91/51/32/388915132.db2.gz IUHLDVGNGCGJLZ-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CC(C)C1(NC(=O)CN2CCC(C)(C)C2)CC1 ZINC000565199398 388924255 /nfs/dbraw/zinc/92/42/55/388924255.db2.gz LEHOMKWXXAATOA-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCSC2(CCC2)CC1 ZINC000565252793 388931923 /nfs/dbraw/zinc/93/19/23/388931923.db2.gz DXMLESZNCNPKCM-SNVBAGLBSA-N 0 1 243.372 2.211 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCC(F)(F)C1)C1CCC1 ZINC000565252676 388931967 /nfs/dbraw/zinc/93/19/67/388931967.db2.gz DBWIJZQJRGYNSK-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000565256009 388932981 /nfs/dbraw/zinc/93/29/81/388932981.db2.gz WGIWVQYOMJZEBR-VXGBXAGGSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](F)CC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000565255461 388933639 /nfs/dbraw/zinc/93/36/39/388933639.db2.gz SGLYZCIGPDKIEC-LMLFDSFASA-N 0 1 231.311 2.308 20 0 BEADMN CC(=O)c1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000565719999 388966091 /nfs/dbraw/zinc/96/60/91/388966091.db2.gz CTTJYOMMMOQUMT-UHFFFAOYSA-N 0 1 249.310 2.184 20 0 BEADMN CC(C)(C)OCCCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000565778300 388968527 /nfs/dbraw/zinc/96/85/27/388968527.db2.gz CPNFVSYTNBRMPE-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1nnsc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000565541325 388952986 /nfs/dbraw/zinc/95/29/86/388952986.db2.gz NKFWCDBKUUFCFG-SCZZXKLOSA-N 0 1 225.361 2.467 20 0 BEADMN CCN(CCC1CC1)[C@@H](C)c1nccc(N)n1 ZINC000565900120 388978286 /nfs/dbraw/zinc/97/82/86/388978286.db2.gz NWNYIGYUONRVAX-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN CC[N@@H+](CCC1CC1)[C@@H](C)c1nccc(N)n1 ZINC000565900120 388978282 /nfs/dbraw/zinc/97/82/82/388978282.db2.gz NWNYIGYUONRVAX-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ncccc1[O-] ZINC000565938826 388979360 /nfs/dbraw/zinc/97/93/60/388979360.db2.gz NARDNDRHJWPCBA-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncccc1O ZINC000565938826 388979358 /nfs/dbraw/zinc/97/93/58/388979358.db2.gz NARDNDRHJWPCBA-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncccc1[O-] ZINC000565938826 388979362 /nfs/dbraw/zinc/97/93/62/388979362.db2.gz NARDNDRHJWPCBA-SNVBAGLBSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)COCCN1CCOC[C@@H]1C1CCC1 ZINC000566007582 388981607 /nfs/dbraw/zinc/98/16/07/388981607.db2.gz HSXXSQCZMCQUOH-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000566015376 388982055 /nfs/dbraw/zinc/98/20/55/388982055.db2.gz UNTLETYCKYUIFI-RKDXNWHRSA-N 0 1 242.344 2.042 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CO[C@@H](C)C2)n1 ZINC000566009298 388982921 /nfs/dbraw/zinc/98/29/21/388982921.db2.gz MNXVCQGWGRIZOC-GUBZILKMSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000566104801 388988510 /nfs/dbraw/zinc/98/85/10/388988510.db2.gz DMVRUOGTPAGRIL-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CCc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000268527722 389002907 /nfs/dbraw/zinc/00/29/07/389002907.db2.gz WKNAPZNXNRUDMA-UHFFFAOYSA-N 0 1 233.315 2.137 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccoc2)no1 ZINC000565814512 388971058 /nfs/dbraw/zinc/97/10/58/388971058.db2.gz QLWHBFOMARWDPA-SECBINFHSA-N 0 1 220.272 2.297 20 0 BEADMN CCCCNCc1ncc(C2OCCO2)s1 ZINC000289156756 389008400 /nfs/dbraw/zinc/00/84/00/389008400.db2.gz DILQWIPFBIBTLE-UHFFFAOYSA-N 0 1 242.344 2.078 20 0 BEADMN CC[C@H]1CN(Cc2cccc(F)c2F)C[C@H]1O ZINC000270887884 389015459 /nfs/dbraw/zinc/01/54/59/389015459.db2.gz KXQFYSWGOSMSMA-JOYOIKCWSA-N 0 1 241.281 2.168 20 0 BEADMN CO[C@@H](C)CCN[C@H](C)c1cscn1 ZINC000271178329 389017651 /nfs/dbraw/zinc/01/76/51/389017651.db2.gz VJMFDOMASHCEIK-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1cccnc1 ZINC000271543372 389020059 /nfs/dbraw/zinc/02/00/59/389020059.db2.gz RBWXJANKSFXFHJ-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccncc1 ZINC000271497611 389022230 /nfs/dbraw/zinc/02/22/30/389022230.db2.gz LQXFJXOMIPOZGN-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)OCO2 ZINC000271728769 389023390 /nfs/dbraw/zinc/02/33/90/389023390.db2.gz YFETZLSRZMEFII-MRVPVSSYSA-N 0 1 211.236 2.035 20 0 BEADMN C[C@]1(NCc2nccs2)CCO[C@H]1C1CC1 ZINC000273018636 389037531 /nfs/dbraw/zinc/03/75/31/389037531.db2.gz DDNZEXGASGOFRP-RYUDHWBXSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2cccnc2)s1 ZINC000273613830 389042847 /nfs/dbraw/zinc/04/28/47/389042847.db2.gz OPFKIKFOJMYBPJ-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)[O-] ZINC000237052130 171161658 /nfs/dbraw/zinc/16/16/58/171161658.db2.gz BCOQNODWSNJZAK-SECBINFHSA-N 0 1 225.313 2.142 20 0 BEADMN C[C@@H](NCC[C@H]1CCOC1)C(C)(F)F ZINC000400681857 533403906 /nfs/dbraw/zinc/40/39/06/533403906.db2.gz JURKJRVUVOALPP-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN COC(=O)CCN(C)Cc1cc(C)ccc1F ZINC000505229772 533407600 /nfs/dbraw/zinc/40/76/00/533407600.db2.gz KRDMBQSSXVKROC-UHFFFAOYSA-N 0 1 239.290 2.129 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)CC2)nn1C ZINC000494152924 533620226 /nfs/dbraw/zinc/62/02/26/533620226.db2.gz NQXNYKRDJXCUHQ-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN COC[C@H](NCc1csc(C)n1)C(C)C ZINC000083398427 322827516 /nfs/dbraw/zinc/82/75/16/322827516.db2.gz KIRVYJUHAQKJQG-NSHDSACASA-N 0 1 228.361 2.212 20 0 BEADMN CCN1CC[C@H](Oc2cnccc2Cl)C1 ZINC001226294002 974847551 /nfs/dbraw/zinc/84/75/51/974847551.db2.gz OFHJNAOPVRAESS-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN CCOCCN1CCN(c2ccccc2C)CC1 ZINC000124066832 132297097 /nfs/dbraw/zinc/29/70/97/132297097.db2.gz KKRZYMRSGVKUEO-UHFFFAOYSA-N 0 1 248.370 2.154 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000019845162 132327452 /nfs/dbraw/zinc/32/74/52/132327452.db2.gz DLLNINFYCVXZMI-NXEZZACHSA-N 0 1 234.299 2.262 20 0 BEADMN CC(C)(C)C[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000334269105 133609330 /nfs/dbraw/zinc/60/93/30/133609330.db2.gz QFPGZRGDSBKSAJ-JTQLQIEISA-N 0 1 235.331 2.451 20 0 BEADMN CSCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000334685108 133721570 /nfs/dbraw/zinc/72/15/70/133721570.db2.gz YBYMFYZXSKTENJ-UHFFFAOYSA-N 0 1 249.694 2.486 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)c1ccsc1 ZINC000347310286 133824242 /nfs/dbraw/zinc/82/42/42/133824242.db2.gz OEYAZCWMZPNWRI-MRVPVSSYSA-N 0 1 249.339 2.200 20 0 BEADMN Cc1ccc(NC(=O)N2CCN[C@H](C)C2)cc1C ZINC000335416081 133860388 /nfs/dbraw/zinc/86/03/88/133860388.db2.gz REDRXDUFRAGJBY-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1cnc[nH]1 ZINC000335922307 134007271 /nfs/dbraw/zinc/00/72/71/134007271.db2.gz SSNKJCHAHZTZHZ-VIFPVBQESA-N 0 1 247.273 2.382 20 0 BEADMN C[C@H](c1ccccc1F)N(C)C(=O)c1cnc[nH]1 ZINC000335922306 134007679 /nfs/dbraw/zinc/00/76/79/134007679.db2.gz SSNKJCHAHZTZHZ-SECBINFHSA-N 0 1 247.273 2.382 20 0 BEADMN Cc1noc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)n1 ZINC000335930534 134010426 /nfs/dbraw/zinc/01/04/26/134010426.db2.gz MNIHEAHYOARPLU-GHMZBOCLSA-N 0 1 235.331 2.389 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C1CC=CC1 ZINC000335943963 134018744 /nfs/dbraw/zinc/01/87/44/134018744.db2.gz SQBYSKCIBHPNQU-UHFFFAOYSA-N 0 1 227.267 2.468 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2CCCCC2)CC[N@@H+]1C ZINC000335948852 134020908 /nfs/dbraw/zinc/02/09/08/134020908.db2.gz KHBAGRJBZJIWRB-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2CCCCC2)CCN1C ZINC000335948852 134020909 /nfs/dbraw/zinc/02/09/09/134020909.db2.gz KHBAGRJBZJIWRB-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CC[C@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000335980462 134037260 /nfs/dbraw/zinc/03/72/60/134037260.db2.gz ZADLZVUULIOMIE-GWCFXTLKSA-N 0 1 233.315 2.062 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000335996029 134042050 /nfs/dbraw/zinc/04/20/50/134042050.db2.gz SYZSITRUFZIMBU-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)n1cc(CN2CC[C@H]3CCC[C@H]32)nn1 ZINC000336000000 134043994 /nfs/dbraw/zinc/04/39/94/134043994.db2.gz FMVUTFJWUOPPGS-DGCLKSJQSA-N 0 1 234.347 2.233 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccc(Cl)o1 ZINC000336032053 134058805 /nfs/dbraw/zinc/05/88/05/134058805.db2.gz SMWYJVCAJVFFJJ-SECBINFHSA-N 0 1 229.707 2.278 20 0 BEADMN CCc1nnc([C@H](C)N2CCC[C@H]2C)o1 ZINC000336040606 134062086 /nfs/dbraw/zinc/06/20/86/134062086.db2.gz LRAUCTKFCYLRTF-BDAKNGLRSA-N 0 1 209.293 2.177 20 0 BEADMN CCC[N@H+](Cc1cnc(C)nc1)CC1CC1 ZINC000352113148 134068603 /nfs/dbraw/zinc/06/86/03/134068603.db2.gz DQHDGVCKUSQLPQ-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN C[C@@H]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC000336076262 134073540 /nfs/dbraw/zinc/07/35/40/134073540.db2.gz HKZCGFYDXWNYEU-NXEZZACHSA-N 0 1 247.342 2.064 20 0 BEADMN CCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000336087000 134076931 /nfs/dbraw/zinc/07/69/31/134076931.db2.gz RGDUPLDKZXNFBS-LLVKDONJSA-N 0 1 247.342 2.484 20 0 BEADMN CCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000336087001 134077146 /nfs/dbraw/zinc/07/71/46/134077146.db2.gz RGDUPLDKZXNFBS-NSHDSACASA-N 0 1 247.342 2.484 20 0 BEADMN Cc1ccc2nc(SCc3cn[nH]n3)[nH]c2c1 ZINC000352144723 134081841 /nfs/dbraw/zinc/08/18/41/134081841.db2.gz HVRQXALBPBEHPI-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN COc1ccccc1SCc1c[nH]nn1 ZINC000352147033 134082438 /nfs/dbraw/zinc/08/24/38/134082438.db2.gz SNDINFJWVOQAEJ-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN CSc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000336102598 134083832 /nfs/dbraw/zinc/08/38/32/134083832.db2.gz BDTQHGXJLDOPFW-ZDUSSCGKSA-N 0 1 249.379 2.365 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)[C@@H]1CC1(C)C ZINC000336110787 134086169 /nfs/dbraw/zinc/08/61/69/134086169.db2.gz NPGGJDLUUUNQNM-GFCCVEGCSA-N 0 1 247.342 2.018 20 0 BEADMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@H]1CC1(C)C ZINC000336111308 134086838 /nfs/dbraw/zinc/08/68/38/134086838.db2.gz WYSIDJDEUQJANO-CABZTGNLSA-N 0 1 247.342 2.087 20 0 BEADMN CN(C(=O)[C@@H]1CCCc2[nH]ncc21)[C@@H]1CC1(C)C ZINC000336111307 134086964 /nfs/dbraw/zinc/08/69/64/134086964.db2.gz WYSIDJDEUQJANO-BXKDBHETSA-N 0 1 247.342 2.087 20 0 BEADMN CC(C)c1nc(CN2CCC[C@H](C)C2)n[nH]1 ZINC000336115705 134088313 /nfs/dbraw/zinc/08/83/13/134088313.db2.gz WHSMVEAAOYGSRI-JTQLQIEISA-N 0 1 222.336 2.160 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2NC1CC(C)(C)C1 ZINC000336130782 134093994 /nfs/dbraw/zinc/09/39/94/134093994.db2.gz DRJXFZFFOSRIHQ-NSHDSACASA-N 0 1 234.347 2.200 20 0 BEADMN CCN(Cc1cc(F)ccc1F)C[C@@H](C)O ZINC000352202695 134101932 /nfs/dbraw/zinc/10/19/32/134101932.db2.gz LQYJNLKKHMVZQP-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CC(C)C(C)(C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000336158459 134106610 /nfs/dbraw/zinc/10/66/10/134106610.db2.gz KSRARWXQMUMKSH-NEPJUHHUSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@H](O)CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352209311 134107754 /nfs/dbraw/zinc/10/77/54/134107754.db2.gz AVMWFIMQDDOJER-WCQYABFASA-N 0 1 237.347 2.098 20 0 BEADMN Cc1nn(C)cc1CN1CCC(C(F)F)CC1 ZINC000336171381 134115395 /nfs/dbraw/zinc/11/53/95/134115395.db2.gz PONVALNRULXOGN-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)on1 ZINC000336174348 134116419 /nfs/dbraw/zinc/11/64/19/134116419.db2.gz JTIHMSOFNDRFBC-JQWIXIFHSA-N 0 1 206.289 2.439 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)n[nH]1 ZINC000336176717 134116991 /nfs/dbraw/zinc/11/69/91/134116991.db2.gz KVKGNFSSGUDHHI-SECBINFHSA-N 0 1 235.331 2.226 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cnns1 ZINC000336198258 134127564 /nfs/dbraw/zinc/12/75/64/134127564.db2.gz BVSCIHBJPMESIZ-IUCAKERBSA-N 0 1 211.334 2.301 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1cnns1 ZINC000336198258 134127565 /nfs/dbraw/zinc/12/75/65/134127565.db2.gz BVSCIHBJPMESIZ-IUCAKERBSA-N 0 1 211.334 2.301 20 0 BEADMN O[C@]1(C(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC000336207405 134132920 /nfs/dbraw/zinc/13/29/20/134132920.db2.gz QFJVXRXLJBKVHX-GFCCVEGCSA-N 0 1 245.244 2.028 20 0 BEADMN Fc1cncc(CN2CC[C@H]2C2CC2)c1 ZINC000336216414 134137405 /nfs/dbraw/zinc/13/74/05/134137405.db2.gz ZLTXCHHTURUKQI-LBPRGKRZSA-N 0 1 206.264 2.205 20 0 BEADMN COc1ccccc1[C@@H](C)N[C@H](C)C[NH+](C)C ZINC000168753271 134248044 /nfs/dbraw/zinc/24/80/44/134248044.db2.gz LMRLSSFOVFPGBA-VXGBXAGGSA-N 0 1 236.359 2.296 20 0 BEADMN CCc1noc([C@@H](C)NC(CC)CC)n1 ZINC000170835565 134254258 /nfs/dbraw/zinc/25/42/58/134254258.db2.gz AGLYCVUVWLOYBY-MRVPVSSYSA-N 0 1 211.309 2.471 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000172073074 134261528 /nfs/dbraw/zinc/26/15/28/134261528.db2.gz BIMIZSXCZCDXPV-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccc(CC)cc1 ZINC000172244233 134264911 /nfs/dbraw/zinc/26/49/11/134264911.db2.gz IODXZEMFNHSARN-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN Cc1cc(C(=O)N2CCC3(CCCC3)C2)n[nH]1 ZINC000173767243 134277357 /nfs/dbraw/zinc/27/73/57/134277357.db2.gz JYUGKFFYSBPJFO-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN Cc1nnc(C[N@@H+]2CC[C@H](CC(C)C)C2)o1 ZINC000173905601 134278307 /nfs/dbraw/zinc/27/83/07/134278307.db2.gz HBKDAJZGZPTSPA-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nnc(CN2CC[C@H](CC(C)C)C2)o1 ZINC000173905601 134278308 /nfs/dbraw/zinc/27/83/08/134278308.db2.gz HBKDAJZGZPTSPA-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN CO[C@@]1(C)C[C@@H]([NH2+]Cc2cn[nH]c2C)C1(C)C ZINC000174135446 134279028 /nfs/dbraw/zinc/27/90/28/134279028.db2.gz WFCWKMZYSHNFQZ-YPMHNXCESA-N 0 1 237.347 2.011 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@@](C)(CC)C1 ZINC000174200955 134279335 /nfs/dbraw/zinc/27/93/35/134279335.db2.gz IHKQYGICXPBHAV-WCQYABFASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)C(=O)N1CCN(C)CC12CCCCC2 ZINC000174567469 134282968 /nfs/dbraw/zinc/28/29/68/134282968.db2.gz FVMIHVSDXSWAJO-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nnc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000176043506 134290089 /nfs/dbraw/zinc/29/00/89/134290089.db2.gz GGVGWAATHCLCGR-PSASIEDQSA-N 0 1 209.293 2.046 20 0 BEADMN c1coc(CNCc2cccc3nccn32)c1 ZINC000179414585 134317618 /nfs/dbraw/zinc/31/76/18/134317618.db2.gz NNPZJPWRBCZPMK-UHFFFAOYSA-N 0 1 227.267 2.217 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000181196576 134333901 /nfs/dbraw/zinc/33/39/01/134333901.db2.gz YDRBCWWYZMUQAL-NDBYEHHHSA-N 0 1 240.391 2.220 20 0 BEADMN CCOCCN(C)Cc1cnc2c(C)cccn12 ZINC000181483563 134337096 /nfs/dbraw/zinc/33/70/96/134337096.db2.gz POVJJXMBGPOTDZ-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000182448403 134342071 /nfs/dbraw/zinc/34/20/71/134342071.db2.gz SEADEEAHHUGHRI-TXEJJXNPSA-N 0 1 246.358 2.304 20 0 BEADMN CCc1nc(NC(=O)[C@H](C)c2ccccc2)n[nH]1 ZINC000183598742 134354253 /nfs/dbraw/zinc/35/42/53/134354253.db2.gz SROFRZXEZCOLKO-SECBINFHSA-N 0 1 244.298 2.109 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](C)c2ccccc2)n1 ZINC000183598742 134354254 /nfs/dbraw/zinc/35/42/54/134354254.db2.gz SROFRZXEZCOLKO-SECBINFHSA-N 0 1 244.298 2.109 20 0 BEADMN OC1(CNCc2ncc(Cl)s2)CCCC1 ZINC000225343445 134355112 /nfs/dbraw/zinc/35/51/12/134355112.db2.gz JIWYXDRYQLAGAZ-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000226228362 134361426 /nfs/dbraw/zinc/36/14/26/134361426.db2.gz IFPONEAUCUKJGD-VIFPVBQESA-N 0 1 243.310 2.339 20 0 BEADMN CC(C)c1cc(NC[C@H]2CCC[N@H+]2C)ncn1 ZINC000226386135 134364710 /nfs/dbraw/zinc/36/47/10/134364710.db2.gz CEFFMOXIJQTHAH-LLVKDONJSA-N 0 1 234.347 2.106 20 0 BEADMN CC[C@H](NC[C@@H](O)C(F)F)c1ccccc1F ZINC000226608593 134367963 /nfs/dbraw/zinc/36/79/63/134367963.db2.gz PZFIKWKMSFUCHB-WDEREUQCSA-N 0 1 247.260 2.492 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ncc[nH]1 ZINC000185199694 134372721 /nfs/dbraw/zinc/37/27/21/134372721.db2.gz VOELIZVWLKIKBC-RYUDHWBXSA-N 0 1 237.347 2.093 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NCC1CCC1 ZINC000185589799 134381867 /nfs/dbraw/zinc/38/18/67/134381867.db2.gz KGPIPKSQWVDUAX-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](NCc1ccon1)[C@@H]1COc2ccccc21 ZINC000185576951 134381905 /nfs/dbraw/zinc/38/19/05/134381905.db2.gz SRXPRYHQLZDNJA-GWCFXTLKSA-N 0 1 244.294 2.329 20 0 BEADMN C[C@@H](NCc1ccon1)[C@@H]1COc2ccccc21 ZINC000185576969 134381927 /nfs/dbraw/zinc/38/19/27/134381927.db2.gz SRXPRYHQLZDNJA-MFKMUULPSA-N 0 1 244.294 2.329 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000185932940 134396926 /nfs/dbraw/zinc/39/69/26/134396926.db2.gz XSTILXFGAPHKRQ-HNNXBMFYSA-N 0 1 246.354 2.225 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)N2CCN[C@H](C)C2)C1 ZINC000155147124 134686362 /nfs/dbraw/zinc/68/63/62/134686362.db2.gz RJEQVFQBZHBRBH-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1Cc1ncnn1C ZINC000135340122 134742095 /nfs/dbraw/zinc/74/20/95/134742095.db2.gz CJIZMAPLEPIXJK-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(C)CC1 ZINC000077901340 134818667 /nfs/dbraw/zinc/81/86/67/134818667.db2.gz QNMJTPXCRUFIGD-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1cc(F)ccc1F ZINC000070965773 134926567 /nfs/dbraw/zinc/92/65/67/134926567.db2.gz FBRROKBQETXADF-WCBMZHEXSA-N 0 1 227.254 2.404 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2cccnc2)n1 ZINC000076024011 135000176 /nfs/dbraw/zinc/00/01/76/135000176.db2.gz DBLGXSHOFGJVTE-SNVBAGLBSA-N 0 1 232.287 2.178 20 0 BEADMN CC[C@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000248567055 135004598 /nfs/dbraw/zinc/00/45/98/135004598.db2.gz JNVFWYSNUHLMQN-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CO[C@H](C)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000248425839 135008595 /nfs/dbraw/zinc/00/85/95/135008595.db2.gz ODAXJAHHSRZZIE-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000248621944 135016791 /nfs/dbraw/zinc/01/67/91/135016791.db2.gz YDRBCWWYZMUQAL-LOWDOPEQSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1CCC(C)(C)O1 ZINC000248573615 135020116 /nfs/dbraw/zinc/02/01/16/135020116.db2.gz NTDCZVZCQUAVQQ-GRYCIOLGSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1csc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000248823985 135022658 /nfs/dbraw/zinc/02/26/58/135022658.db2.gz JNPAMMAWWMNGAN-JGPRNRPPSA-N 0 1 240.372 2.185 20 0 BEADMN Cc1ncsc1CN(C)C[C@H]1CC[C@@H](C)O1 ZINC000248989254 135029504 /nfs/dbraw/zinc/02/95/04/135029504.db2.gz XVBRSOSLOAVVMS-MWLCHTKSSA-N 0 1 240.372 2.451 20 0 BEADMN CC[C@@H](C)CN1CCOC[C@H]1c1cccn1C ZINC000249262601 135035855 /nfs/dbraw/zinc/03/58/55/135035855.db2.gz HYOCPFQXLFXHTN-OCCSQVGLSA-N 0 1 236.359 2.445 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000249748090 135044220 /nfs/dbraw/zinc/04/42/20/135044220.db2.gz OGZCVDXTJSNBJN-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000251813526 135078346 /nfs/dbraw/zinc/07/83/46/135078346.db2.gz MMZGLZQCUZERTD-WOPDTQHZSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H]1C[C@H](NCc2cscn2)CS1 ZINC000086936017 135102674 /nfs/dbraw/zinc/10/26/74/135102674.db2.gz WULWUXYDFWAEQB-YUMQZZPRSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCO1)c1nccs1 ZINC000087234081 135114838 /nfs/dbraw/zinc/11/48/38/135114838.db2.gz MTKQIICMYADXCG-GXSJLCMTSA-N 0 1 226.345 2.363 20 0 BEADMN COc1ccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262168819 135117151 /nfs/dbraw/zinc/11/71/51/135117151.db2.gz CCKINWXCNXJYNA-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000261527327 135150866 /nfs/dbraw/zinc/15/08/66/135150866.db2.gz VNMKEDLWHLIOKM-QWRGUYRKSA-N 0 1 215.337 2.321 20 0 BEADMN C[C@H](C[N@@H+](C)CCCC(C)(C)C)C(=O)[O-] ZINC000261527279 135151490 /nfs/dbraw/zinc/15/14/90/135151490.db2.gz KPZQLKCHRUXYRO-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000261527783 135151906 /nfs/dbraw/zinc/15/19/06/135151906.db2.gz HCFRZVDZJITTMB-ZJUUUORDSA-N 0 1 201.310 2.074 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000261530595 135157917 /nfs/dbraw/zinc/15/79/17/135157917.db2.gz KKDPJWOCKMCBEW-AAEUAGOBSA-N 0 1 227.348 2.465 20 0 BEADMN C1C[C@H](c2nc(C3CCCCC3)no2)N1 ZINC000261532474 135162855 /nfs/dbraw/zinc/16/28/55/135162855.db2.gz AIUPAQHSDIDUPP-SECBINFHSA-N 0 1 207.277 2.152 20 0 BEADMN O=C(NCc1cnc[nH]1)c1sccc1Cl ZINC000087721769 135165441 /nfs/dbraw/zinc/16/54/41/135165441.db2.gz OJFDQIXWRGMGTF-UHFFFAOYSA-N 0 1 241.703 2.055 20 0 BEADMN Cc1csc(CN(C)[C@@H](CO)C(C)(C)C)n1 ZINC000269683098 135166267 /nfs/dbraw/zinc/16/62/67/135166267.db2.gz UMWQBHWYCRLIFA-JTQLQIEISA-N 0 1 242.388 2.290 20 0 BEADMN C[C@@H](N)c1nc([C@H]2CCCOC2)cs1 ZINC000261538027 135175390 /nfs/dbraw/zinc/17/53/90/135175390.db2.gz XESUHAPKRFLLES-SFYZADRCSA-N 0 1 212.318 2.057 20 0 BEADMN C[C@H](c1ccccc1)N1C[C@H](CO)OC(C)(C)C1 ZINC000163799395 135195747 /nfs/dbraw/zinc/19/57/47/135195747.db2.gz HSUZBCDXDCHAIE-TZMCWYRMSA-N 0 1 249.354 2.219 20 0 BEADMN CCCSCc1nc(C2(N)CCC2)no1 ZINC000261564481 135205927 /nfs/dbraw/zinc/20/59/27/135205927.db2.gz CQXOWAGFPZMHAY-UHFFFAOYSA-N 0 1 227.333 2.051 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084330695 135211253 /nfs/dbraw/zinc/21/12/53/135211253.db2.gz USIAIOADOJXARS-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](C)[C@](C)(O)CNCc1cscn1 ZINC000164003372 135212422 /nfs/dbraw/zinc/21/24/22/135212422.db2.gz KSJFNUCLWMHNIG-GXSJLCMTSA-N 0 1 228.361 2.030 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000164129259 135213551 /nfs/dbraw/zinc/21/35/51/135213551.db2.gz SXHJCAWAPLKRRZ-SNVBAGLBSA-N 0 1 233.377 2.315 20 0 BEADMN CS[C@H](CO)[C@@H](C)NCc1ccc(Cl)o1 ZINC000164278031 135217914 /nfs/dbraw/zinc/21/79/14/135217914.db2.gz AVNBUNQUFSXHEW-VXNVDRBHSA-N 0 1 249.763 2.135 20 0 BEADMN CCc1cnc(C[N@@H+](C)CCCC(=O)[O-])s1 ZINC000261580255 135220570 /nfs/dbraw/zinc/22/05/70/135220570.db2.gz MVKSPKKMTBFEED-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CC/C=C(/C)c1nc(C2(N)CCC2)no1 ZINC000261584538 135225828 /nfs/dbraw/zinc/22/58/28/135225828.db2.gz PXKVVBLZBRAKEB-YVMONPNESA-N 0 1 207.277 2.221 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cs1 ZINC000261586300 135227575 /nfs/dbraw/zinc/22/75/75/135227575.db2.gz QZNQMGQMSXBSJW-NSHDSACASA-N 0 1 239.340 2.496 20 0 BEADMN CSC[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000261598387 135237026 /nfs/dbraw/zinc/23/70/26/135237026.db2.gz ZLOOMUUZJNEMDI-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN C[C@H]1C[N@@H+](CCCCC(=O)[O-])C(C)(C)C1 ZINC000261599700 135237768 /nfs/dbraw/zinc/23/77/68/135237768.db2.gz ZXRHPANKZSHDLT-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](c1nc(C2(N)CCCC2)no1)C(F)(F)F ZINC000261654384 135242940 /nfs/dbraw/zinc/24/29/40/135242940.db2.gz BHDJPFSEKDFMCD-LURJTMIESA-N 0 1 249.236 2.463 20 0 BEADMN NC1(c2noc(/C=C/c3ccco3)n2)CCC1 ZINC000261688028 135245862 /nfs/dbraw/zinc/24/58/62/135245862.db2.gz HHWBVQFVWVIWNG-SNAWJCMRSA-N 0 1 231.255 2.171 20 0 BEADMN NCc1cc(-c2nc(C3CCCC3)no2)co1 ZINC000261683530 135246232 /nfs/dbraw/zinc/24/62/32/135246232.db2.gz GZGXCXTVVVFDDG-UHFFFAOYSA-N 0 1 233.271 2.446 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)o1 ZINC000261701796 135247080 /nfs/dbraw/zinc/24/70/80/135247080.db2.gz ICUKPTHQVNMZBY-UHFFFAOYSA-N 0 1 233.271 2.284 20 0 BEADMN NC1(c2noc(-c3ccc(Cl)o3)n2)CCC1 ZINC000261849367 135256994 /nfs/dbraw/zinc/25/69/94/135256994.db2.gz SRYVLTVCIJSYMC-UHFFFAOYSA-N 0 1 239.662 2.321 20 0 BEADMN c1nc(CNC[C@@H]2COc3ccccc32)cs1 ZINC000342455939 135276356 /nfs/dbraw/zinc/27/63/56/135276356.db2.gz XNECUCRHKRSAEQ-SNVBAGLBSA-N 0 1 246.335 2.409 20 0 BEADMN CC(C)C[C@@H](Nc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000262113335 135279349 /nfs/dbraw/zinc/27/93/49/135279349.db2.gz KRHNVPPMPKAESG-LLVKDONJSA-N 0 1 247.298 2.474 20 0 BEADMN Cn1ccnc1[C@H](NC[C@H]1CCCCO1)C1CC1 ZINC000342494907 135283494 /nfs/dbraw/zinc/28/34/94/135283494.db2.gz MPQHVXWOQBPCNH-CHWSQXEVSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000262301961 135291274 /nfs/dbraw/zinc/29/12/74/135291274.db2.gz ZYFVEMZWEAPONT-SECBINFHSA-N 0 1 237.274 2.263 20 0 BEADMN CCc1nc2n(n1)CCC[C@H]2NC1CC(CC)C1 ZINC000342704874 135312144 /nfs/dbraw/zinc/31/21/44/135312144.db2.gz YNIICZWANXAWOG-HTAVTVPLSA-N 0 1 248.374 2.454 20 0 BEADMN CCCN(Cc1ncc(C)n1C)CC1CC1 ZINC000342775368 135327489 /nfs/dbraw/zinc/32/74/89/135327489.db2.gz FJTUCKZRTTUHQG-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@H]2C)n1C ZINC000342775397 135327600 /nfs/dbraw/zinc/32/76/00/135327600.db2.gz FNRLIIGGNULFQH-ZYHUDNBSSA-N 0 1 221.348 2.349 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1cccc(O)c1 ZINC000334223246 135328078 /nfs/dbraw/zinc/32/80/78/135328078.db2.gz WTPMZQFWTZRTCT-UHFFFAOYSA-N 0 1 245.282 2.491 20 0 BEADMN CC(C)CCC[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263113576 135333522 /nfs/dbraw/zinc/33/35/22/135333522.db2.gz ZCNBTLCGPUJPDZ-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113579 135334008 /nfs/dbraw/zinc/33/40/08/135334008.db2.gz ZCNBTLCGPUJPDZ-RYUDHWBXSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1ncnn1C(C)(C)C ZINC000334286738 135339806 /nfs/dbraw/zinc/33/98/06/135339806.db2.gz HIIUOFUBVMPQHJ-WDEREUQCSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000334286735 135339812 /nfs/dbraw/zinc/33/98/12/135339812.db2.gz HIIUOFUBVMPQHJ-MNOVXSKESA-N 0 1 236.363 2.263 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)c2ccoc2)n[nH]1 ZINC000343004040 135343606 /nfs/dbraw/zinc/34/36/06/135343606.db2.gz VFPUENJJHYRAMH-QMMMGPOBSA-N 0 1 248.286 2.012 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000263304673 135345361 /nfs/dbraw/zinc/34/53/61/135345361.db2.gz DWKIYXRRGMCBEF-QJPTWQEYSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263360640 135348825 /nfs/dbraw/zinc/34/88/25/135348825.db2.gz RWIOMELHWYEIDS-AXFHLTTASA-N 0 1 213.321 2.075 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263352123 135349335 /nfs/dbraw/zinc/34/93/35/135349335.db2.gz QAUKIWCPYZQPPE-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCCC2)C1 ZINC000263371650 135349576 /nfs/dbraw/zinc/34/95/76/135349576.db2.gz VNYHUZRUEQOZFI-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000334310189 135350372 /nfs/dbraw/zinc/35/03/72/135350372.db2.gz FYGJWXMQRINGFE-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000334310191 135350814 /nfs/dbraw/zinc/35/08/14/135350814.db2.gz FYGJWXMQRINGFE-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CC=CCC1 ZINC000263408691 135352010 /nfs/dbraw/zinc/35/20/10/135352010.db2.gz KSSSHUWJUXXPRE-LLVKDONJSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1cc[nH+]c(NC(C)(C)CCC(=O)[O-])c1 ZINC000263406936 135352018 /nfs/dbraw/zinc/35/20/18/135352018.db2.gz LACXNZHCHOQXEE-UHFFFAOYSA-N 0 1 222.288 2.445 20 0 BEADMN C[C@@H]1COCCN(Cc2cccc(C(N)=O)c2)C1 ZINC000334329831 135354639 /nfs/dbraw/zinc/35/46/39/135354639.db2.gz JSRNLBAXXRPZSJ-NSHDSACASA-N 0 1 248.326 2.038 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263483116 135356844 /nfs/dbraw/zinc/35/68/44/135356844.db2.gz GSOCFXCCQUHCJY-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC(=O)[O-] ZINC000263424727 135356957 /nfs/dbraw/zinc/35/69/57/135356957.db2.gz QCSKSZFJWHRGJL-UHFFFAOYSA-N 0 1 241.718 2.473 20 0 BEADMN F[C@H]1CCC[C@H]1NCc1cnn2ccccc12 ZINC000334340064 135363593 /nfs/dbraw/zinc/36/35/93/135363593.db2.gz BZJBHKIRGFPJFI-NWDGAFQWSA-N 0 1 233.290 2.315 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C2(C)CC2)c1 ZINC000334351502 135368642 /nfs/dbraw/zinc/36/86/42/135368642.db2.gz GGVYWPJZWHZIMV-UHFFFAOYSA-N 0 1 233.267 2.333 20 0 BEADMN Cc1nccc(CN2CCS[C@@H](C)CC2)n1 ZINC000334363391 135373257 /nfs/dbraw/zinc/37/32/57/135373257.db2.gz FBXRMRMRGIRUFW-JTQLQIEISA-N 0 1 237.372 2.112 20 0 BEADMN Fc1ccc(SCc2nn[n-]n2)cc1Cl ZINC000334373276 135376202 /nfs/dbraw/zinc/37/62/02/135376202.db2.gz STMXSEMWMHZEQJ-UHFFFAOYSA-N 0 1 244.682 2.285 20 0 BEADMN Fc1ccc(SCc2nn[nH]n2)cc1Cl ZINC000334373276 135376203 /nfs/dbraw/zinc/37/62/03/135376203.db2.gz STMXSEMWMHZEQJ-UHFFFAOYSA-N 0 1 244.682 2.285 20 0 BEADMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nccs1 ZINC000334373566 135376584 /nfs/dbraw/zinc/37/65/84/135376584.db2.gz TUFFUDSSNXZBRD-BDAKNGLRSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1nccs1 ZINC000334373566 135376586 /nfs/dbraw/zinc/37/65/86/135376586.db2.gz TUFFUDSSNXZBRD-BDAKNGLRSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000334394911 135387002 /nfs/dbraw/zinc/38/70/02/135387002.db2.gz VQPHWFXFMDDYOX-RKDXNWHRSA-N 0 1 233.315 2.158 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(CC)CC1 ZINC000077901476 135392837 /nfs/dbraw/zinc/39/28/37/135392837.db2.gz UXCLOOGEGVAMTO-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCN1C[C@@H](C)[N@@H+](CC=C(C)C)C[C@H]1C ZINC000334411568 135395445 /nfs/dbraw/zinc/39/54/45/135395445.db2.gz NGDWZYQRKCMODP-CHWSQXEVSA-N 0 1 210.365 2.367 20 0 BEADMN Cc1cnn(CCN2CCCc3occc3C2)c1 ZINC000334411675 135395613 /nfs/dbraw/zinc/39/56/13/135395613.db2.gz LGKOQLWDCMQLSB-UHFFFAOYSA-N 0 1 245.326 2.233 20 0 BEADMN FC1(F)CCC[C@H]1CN[C@@H]1CCn2ccnc21 ZINC000335662671 135421233 /nfs/dbraw/zinc/42/12/33/135421233.db2.gz KOXWCQDFZXHLBX-VHSXEESVSA-N 0 1 241.285 2.353 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2cccc(F)c2)[nH]1 ZINC000334469847 135424123 /nfs/dbraw/zinc/42/41/23/135424123.db2.gz HQDDJQUPFLLQHP-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CC[C@H](COC)N[C@@H]1COc2ccc(F)cc21 ZINC000344099188 135743137 /nfs/dbraw/zinc/74/31/37/135743137.db2.gz KLCTUTCECPHRTO-ZYHUDNBSSA-N 0 1 239.290 2.274 20 0 BEADMN OCC[C@H](NCc1cccnc1)c1ccccc1 ZINC000344443522 135774405 /nfs/dbraw/zinc/77/44/05/135774405.db2.gz SNVLZHFSUGDBLB-HNNXBMFYSA-N 0 1 242.322 2.295 20 0 BEADMN CC[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000347646330 136000382 /nfs/dbraw/zinc/00/03/82/136000382.db2.gz FLSIFPGJSNNTCI-UHFFFAOYSA-N 0 1 223.316 2.464 20 0 BEADMN CCc1cc(CCCN2CCSCC2)on1 ZINC000347739945 136005065 /nfs/dbraw/zinc/00/50/65/136005065.db2.gz UZHGSFKFVXEXGZ-UHFFFAOYSA-N 0 1 240.372 2.218 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@](C)(O)CC2)o1 ZINC000335297527 136007380 /nfs/dbraw/zinc/00/73/80/136007380.db2.gz CIQGYKOIZYYYJX-AAEUAGOBSA-N 0 1 238.331 2.281 20 0 BEADMN Cc1ccc(CN[C@H]2C[C@H]2C(F)F)nc1 ZINC000348192759 136049899 /nfs/dbraw/zinc/04/98/99/136049899.db2.gz YMKQTALOLQPYLH-ZJUUUORDSA-N 0 1 212.243 2.133 20 0 BEADMN Cn1ccnc1[C@H](N[C@@H]1C[C@H]1C(F)F)C1CC1 ZINC000348286179 136058755 /nfs/dbraw/zinc/05/87/55/136058755.db2.gz YBGVMCWNHNMMLR-OPRDCNLKSA-N 0 1 241.285 2.114 20 0 BEADMN CC(C)C[C@H](C)CN1CCOC[C@@]12CCOC2 ZINC000348283651 136059820 /nfs/dbraw/zinc/05/98/20/136059820.db2.gz DIBRHZXXICEQJZ-KBPBESRZSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1cc(CN2CC[C@@](O)(C(F)F)C2)cs1 ZINC000335354285 136070679 /nfs/dbraw/zinc/07/06/79/136070679.db2.gz UACWQKOSRBRFIJ-NSHDSACASA-N 0 1 247.310 2.258 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@]2(C)CC=CCC2)c1C ZINC000335362102 136081385 /nfs/dbraw/zinc/08/13/85/136081385.db2.gz ZPBIMOOEZRKLAS-CYBMUJFWSA-N 0 1 233.315 2.255 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H]2CCC[C@H]21 ZINC000335366342 136081713 /nfs/dbraw/zinc/08/17/13/136081713.db2.gz NBPDNVYKBZGBAM-CABCVRRESA-N 0 1 246.354 2.186 20 0 BEADMN Cc1nc(CNC2CC(C)(F)C2)cs1 ZINC000335375967 136085594 /nfs/dbraw/zinc/08/55/94/136085594.db2.gz OLMSHPPGTXGOER-UHFFFAOYSA-N 0 1 214.309 2.432 20 0 BEADMN Cc1cc(F)ccc1CN1CC(C)(C(N)=O)C1 ZINC000335396854 136092924 /nfs/dbraw/zinc/09/29/24/136092924.db2.gz VBESQYVFSYVFEW-UHFFFAOYSA-N 0 1 236.290 2.491 20 0 BEADMN CC[C@@H]1CN(CC2(C)CCC2)C[C@H](C)[S@@]1=O ZINC000348542079 136095547 /nfs/dbraw/zinc/09/55/47/136095547.db2.gz APWVSOGREZSXBU-OZVIIMIRSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1nccc(NC2CCOCC2)c1Cl ZINC000335557905 136099839 /nfs/dbraw/zinc/09/98/39/136099839.db2.gz PHQDBQXQVIRBQR-UHFFFAOYSA-N 0 1 226.707 2.056 20 0 BEADMN Cc1ccc2nc(NC(=O)C(C)C)[nH]c2c1 ZINC000335584833 136101334 /nfs/dbraw/zinc/10/13/34/136101334.db2.gz ODPFFMJKPBHYTL-UHFFFAOYSA-N 0 1 217.272 2.466 20 0 BEADMN Cc1cnn(CCN2CCc3sccc3C2)c1 ZINC000335590196 136103298 /nfs/dbraw/zinc/10/32/98/136103298.db2.gz UNHRKGUUGMUPCE-UHFFFAOYSA-N 0 1 247.367 2.311 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cnns1 ZINC000335595307 136104776 /nfs/dbraw/zinc/10/47/76/136104776.db2.gz BCGPEBPCWRQCJV-WCBMZHEXSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CN(Cc2cnns2)CC[C@@H]1C ZINC000335569757 136108594 /nfs/dbraw/zinc/10/85/94/136108594.db2.gz FCEUOEUCDVOGNM-IUCAKERBSA-N 0 1 211.334 2.016 20 0 BEADMN FC1(F)CCC[C@@H](N[C@@H]2CCn3ccnc32)C1 ZINC000335572652 136109874 /nfs/dbraw/zinc/10/98/74/136109874.db2.gz OJDBUCHITOAPPH-NXEZZACHSA-N 0 1 241.285 2.495 20 0 BEADMN CCc1ncc(CNC(=O)C(C)(CC)CC)[nH]1 ZINC001646325316 1172731251 /nfs/dbraw/zinc/73/12/51/1172731251.db2.gz LYJPWEZJWLABTD-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN Cc1nnc(CNC2CCCCCC2)o1 ZINC000062639395 1172772984 /nfs/dbraw/zinc/77/29/84/1172772984.db2.gz RSSIAUHJPKIWMK-UHFFFAOYSA-N 0 1 209.293 2.190 20 0 BEADMN CCC(CC)(CC)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000644087166 397754506 /nfs/dbraw/zinc/75/45/06/397754506.db2.gz GLWGDJKNDUYKHX-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]([N@@H+](C)CCCCC(=O)[O-])C1(C)CC1 ZINC000181575803 397810413 /nfs/dbraw/zinc/81/04/13/397810413.db2.gz XLYFDIJLPHZGSH-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110352524 397811251 /nfs/dbraw/zinc/81/12/51/397811251.db2.gz ANUUNKRILNVNFQ-ZDUSSCGKSA-N 0 1 248.370 2.423 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cncs1 ZINC000163870994 397788486 /nfs/dbraw/zinc/78/84/86/397788486.db2.gz FQKLMPZEGYPROF-DTWKUNHWSA-N 0 1 236.344 2.288 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1nccs1)C1CC1 ZINC000388308924 397884850 /nfs/dbraw/zinc/88/48/50/397884850.db2.gz QWCVSVYJMYTYIF-KCJUWKMLSA-N 0 1 226.345 2.046 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000388702283 397837677 /nfs/dbraw/zinc/83/76/77/397837677.db2.gz OSALQIKCZRQSLJ-MWLCHTKSSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H](Cc1cccs1)NCc1cocn1 ZINC000182064505 397823413 /nfs/dbraw/zinc/82/34/13/397823413.db2.gz JOZWPRJJCDRPGX-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cn[nH]c2)c2ccccc2O1 ZINC000648698706 397928266 /nfs/dbraw/zinc/92/82/66/397928266.db2.gz FXGBOCBUZJODQL-ZWNOBZJWSA-N 0 1 243.310 2.412 20 0 BEADMN CN(Cc1cnc2ccccc2c1)[C@H]1CCOC1 ZINC000271165737 397965360 /nfs/dbraw/zinc/96/53/60/397965360.db2.gz NNELYOZWHLXZKC-AWEZNQCLSA-N 0 1 242.322 2.456 20 0 BEADMN C[C@H]1CCN(Cc2cc3n(n2)CCCC3)[C@H]1C ZINC000649548165 397940151 /nfs/dbraw/zinc/94/01/51/397940151.db2.gz OUEUETAZYSJWFU-RYUDHWBXSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H](N[C@H](CO)c1c(F)cccc1F)C1CC1 ZINC000267268805 397945257 /nfs/dbraw/zinc/94/52/57/397945257.db2.gz RXCLNCQSVLMMRV-QPUJVOFHSA-N 0 1 241.281 2.386 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CCC2CC2)[C@@H](C)CN1C ZINC000650152053 397946276 /nfs/dbraw/zinc/94/62/76/397946276.db2.gz YIETYFREWFVMIM-TUAOUCFPSA-N 0 1 238.375 2.116 20 0 BEADMN CC1(C)CCC[C@@]1(O)CNCc1nccs1 ZINC000382401832 397946843 /nfs/dbraw/zinc/94/68/43/397946843.db2.gz QKMILLIUBPPAPC-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc2n(n1)CCC2 ZINC000649558361 397949892 /nfs/dbraw/zinc/94/98/92/397949892.db2.gz LGJQTRCDBRWPCL-SNVBAGLBSA-N 0 1 207.321 2.060 20 0 BEADMN CC[C@H](C)N(C)Cc1cc2n(n1)CCC2 ZINC000649558360 397949934 /nfs/dbraw/zinc/94/99/34/397949934.db2.gz LGJQTRCDBRWPCL-JTQLQIEISA-N 0 1 207.321 2.060 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CCC(C)(C)C ZINC000359199825 397950226 /nfs/dbraw/zinc/95/02/26/397950226.db2.gz PZLSUDOJEGPIDV-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](NCc1ccc(F)cc1)c1ccnn1C ZINC000192245509 397892479 /nfs/dbraw/zinc/89/24/79/397892479.db2.gz QVHIVJUCGQPULX-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN CC[C@H](NCN1CCC(=O)CC1)c1ccccc1 ZINC000273093455 397991067 /nfs/dbraw/zinc/99/10/67/397991067.db2.gz OFUJEFYIPKYIDV-HNNXBMFYSA-N 0 1 246.354 2.350 20 0 BEADMN CC(C)C[C@H](N)c1noc(C[C@H]2C[C@@H]2C)n1 ZINC000414620559 397993472 /nfs/dbraw/zinc/99/34/72/397993472.db2.gz QBWAQUZBQDMKDO-AEJSXWLSSA-N 0 1 223.320 2.314 20 0 BEADMN NCC(F)(F)Cc1nc(C2CCCCC2)no1 ZINC000650224960 397996334 /nfs/dbraw/zinc/99/63/34/397996334.db2.gz AJFVEAQGSKIYIN-UHFFFAOYSA-N 0 1 245.273 2.254 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)NCCC(C)(C)C ZINC000555328529 398003990 /nfs/dbraw/zinc/00/39/90/398003990.db2.gz JRKUMEKJHCLSOX-PHIMTYICSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000184283189 398016144 /nfs/dbraw/zinc/01/61/44/398016144.db2.gz JCENVBNZNXBVSS-KPCOEVGBSA-N 0 1 229.345 2.006 20 0 BEADMN Cc1nnsc1CN1CCC12CCCC2 ZINC000649658197 398025660 /nfs/dbraw/zinc/02/56/60/398025660.db2.gz BYLZLXPULOODNK-UHFFFAOYSA-N 0 1 223.345 2.365 20 0 BEADMN OCCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676776 398034681 /nfs/dbraw/zinc/03/46/81/398034681.db2.gz VQOXOGIJDJHZDI-UHFFFAOYSA-N 0 1 243.306 2.297 20 0 BEADMN C[C@]1(F)CCCN(CCOC[C@H]2CCCO2)C1 ZINC000649690468 398036535 /nfs/dbraw/zinc/03/65/35/398036535.db2.gz YFFDXHAWQSAWHA-OLZOCXBDSA-N 0 1 245.338 2.006 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccc(F)cn2)C1 ZINC000279257629 398042416 /nfs/dbraw/zinc/04/24/16/398042416.db2.gz HUXBBNGZBNADRE-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(Cc1cccc(O)c1OC)C1CC1 ZINC000272297682 397977692 /nfs/dbraw/zinc/97/76/92/397977692.db2.gz PFMDVWXXEQWZOA-UHFFFAOYSA-N 0 1 221.300 2.385 20 0 BEADMN C[C@@]1(C(=O)NOCc2ccccc2)CCCOC1 ZINC000272613335 397980263 /nfs/dbraw/zinc/98/02/63/397980263.db2.gz ICQNPMJEIGENBB-CQSZACIVSA-N 0 1 249.310 2.051 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCC=C(C)C ZINC000595285166 397987179 /nfs/dbraw/zinc/98/71/79/397987179.db2.gz MZZUWLJTCSSXLQ-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN Cc1cnc(CNC2C(C)(C)C2(C)C)n1C ZINC000336734307 398059725 /nfs/dbraw/zinc/05/97/25/398059725.db2.gz KUFYREFGVLDEMQ-UHFFFAOYSA-N 0 1 221.348 2.253 20 0 BEADMN CC[C@H]1CN(CCOCC2CC2)[C@@H](CC)CO1 ZINC000649721504 398064768 /nfs/dbraw/zinc/06/47/68/398064768.db2.gz ZCGIFENAPSDUQX-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@H]1CN(CCOC(C)(C)C)[C@H](C)CO1 ZINC000649731760 398071493 /nfs/dbraw/zinc/07/14/93/398071493.db2.gz MLNUMUDPWNXRAB-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1cnccn1 ZINC000187653456 398093958 /nfs/dbraw/zinc/09/39/58/398093958.db2.gz KALYUNOXHOFKNU-WDEREUQCSA-N 0 1 235.331 2.085 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)CCC(C)C)[C@@H](C)CO1 ZINC000649736424 398077452 /nfs/dbraw/zinc/07/74/52/398077452.db2.gz AJNWDHWYIODZCH-BFHYXJOUSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)[C@H](C)CO1 ZINC000649736780 398078592 /nfs/dbraw/zinc/07/85/92/398078592.db2.gz JBDNDIWLIQDTOI-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2C)[C@H](C)CO1 ZINC000649737049 398079646 /nfs/dbraw/zinc/07/96/46/398079646.db2.gz PVMLNKNXSWYGAX-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H](COC)N[C@@H](C)c1c(F)cncc1F ZINC000285657808 398079810 /nfs/dbraw/zinc/07/98/10/398079810.db2.gz LZIOLTPVAWABAD-DTWKUNHWSA-N 0 1 244.285 2.435 20 0 BEADMN CN(Cc1cnc(Cl)s1)[C@@H]1CCC[C@H]1O ZINC000286504335 398080986 /nfs/dbraw/zinc/08/09/86/398080986.db2.gz MOAJCLVIMCHDPA-RKDXNWHRSA-N 0 1 246.763 2.142 20 0 BEADMN CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@H]1CCCOC1 ZINC000649755620 398086661 /nfs/dbraw/zinc/08/66/61/398086661.db2.gz SIYAYVXZBYOUKL-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)(c1nc([C@@H]2CCCN2)no1)C(F)F ZINC000647145637 398087698 /nfs/dbraw/zinc/08/76/98/398087698.db2.gz AHGXRMVOGSILFS-LURJTMIESA-N 0 1 231.246 2.037 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CC)C1 ZINC000191420006 171236202 /nfs/dbraw/zinc/23/62/02/171236202.db2.gz XOLSZYWCPVURIU-ZYHUDNBSSA-N 0 1 213.321 2.362 20 0 BEADMN CCCn1c(C)nnc1CNC1(C2CCC2)CC1 ZINC000649810511 398116833 /nfs/dbraw/zinc/11/68/33/398116833.db2.gz OMRPAEIUNPGZDU-UHFFFAOYSA-N 0 1 248.374 2.419 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+]C2(C3CCC3)CC2)n1 ZINC000649811064 398117837 /nfs/dbraw/zinc/11/78/37/398117837.db2.gz DJMQNEFWXGOZPP-SNVBAGLBSA-N 0 1 247.342 2.474 20 0 BEADMN CC(C)n1cc(CNC2(C3CCC3)CC2)nn1 ZINC000649811565 398119531 /nfs/dbraw/zinc/11/95/31/398119531.db2.gz WVNBQGYBNRMFTI-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]1CF ZINC000294038439 398120386 /nfs/dbraw/zinc/12/03/86/398120386.db2.gz KNKDPIHGHGXTPC-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN CC[C@H](N[C@H](C)c1ccccn1)[C@@H](O)C(F)F ZINC000295049909 398131706 /nfs/dbraw/zinc/13/17/06/398131706.db2.gz NIJPOEYHPQKLEK-WCABBAIRSA-N 0 1 244.285 2.137 20 0 BEADMN Cn1cncc1CN[C@H]1CCc2c1cccc2F ZINC000263849949 398126626 /nfs/dbraw/zinc/12/66/26/398126626.db2.gz NFFQCJGPLVHTMX-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN CC(C)OCCN1C[C@H](C)OCC12CCC2 ZINC000649823003 398127293 /nfs/dbraw/zinc/12/72/93/398127293.db2.gz VXRIADUSVSUKAU-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN CCN(CC(=O)OCc1ccccc1)CC1CC1 ZINC000070013523 398122555 /nfs/dbraw/zinc/12/25/55/398122555.db2.gz JAJRZYDDCKWRBJ-UHFFFAOYSA-N 0 1 247.338 2.462 20 0 BEADMN CCCC(=O)Nc1ccc2cncn2c1 ZINC001647936100 1172780762 /nfs/dbraw/zinc/78/07/62/1172780762.db2.gz XEEKZOYZTNAVFC-UHFFFAOYSA-N 0 1 203.245 2.073 20 0 BEADMN CCN(CC)c1ccc(NC[C@H](C)O)cc1 ZINC000062996182 1172793130 /nfs/dbraw/zinc/79/31/30/1172793130.db2.gz QXBCFIUMEOKJBO-NSHDSACASA-N 0 1 222.332 2.326 20 0 BEADMN Cc1noc(NC(=O)c2ccc(C(F)F)o2)n1 ZINC001648471526 1172835378 /nfs/dbraw/zinc/83/53/78/1172835378.db2.gz KJJNKAAYEUYIPP-UHFFFAOYSA-N 0 1 243.169 2.161 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001648595003 1172853939 /nfs/dbraw/zinc/85/39/39/1172853939.db2.gz ZXVYISFHXKHTKC-FRRDWIJNSA-N 0 1 233.359 2.288 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000300947939 487558727 /nfs/dbraw/zinc/55/87/27/487558727.db2.gz PKHWWQLGKMWETI-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nocc1CN1CCCC[C@@]12CCOC2 ZINC001648641869 1172857830 /nfs/dbraw/zinc/85/78/30/1172857830.db2.gz PDELVWVEQXOGKE-ZDUSSCGKSA-N 0 1 236.315 2.128 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000227881412 487561446 /nfs/dbraw/zinc/56/14/46/487561446.db2.gz HMTUQMPOACJZKJ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@H](C)N(C)CC(=O)Nc1ccon1 ZINC000685612358 487563634 /nfs/dbraw/zinc/56/36/34/487563634.db2.gz KEZSOFYCZNXJEZ-JTQLQIEISA-N 0 1 239.319 2.124 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN(C)C2(CO)CC2)o1 ZINC000668801884 487565104 /nfs/dbraw/zinc/56/51/04/487565104.db2.gz ZBROSCODQJCMIG-CMPLNLGQSA-N 0 1 235.327 2.360 20 0 BEADMN c1csc(CNCCCNc2ccccn2)n1 ZINC001650647439 1172885343 /nfs/dbraw/zinc/88/53/43/1172885343.db2.gz KZAQIMDAYNGDLH-UHFFFAOYSA-N 0 1 248.355 2.130 20 0 BEADMN CC[N@H+](Cc1nc(C(=O)[O-])cs1)CC1CC1 ZINC000393206130 487568231 /nfs/dbraw/zinc/56/82/31/487568231.db2.gz GCHADDTUKUEWOV-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000680346769 487571352 /nfs/dbraw/zinc/57/13/52/487571352.db2.gz RJRRVBLSLUIORI-GZMMTYOYSA-N 0 1 242.282 2.066 20 0 BEADMN CCC(CC)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000383016478 487576132 /nfs/dbraw/zinc/57/61/32/487576132.db2.gz FPYWGBAFKDHUHX-VIFPVBQESA-N 0 1 213.321 2.360 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1ccncn1 ZINC000658290531 487578585 /nfs/dbraw/zinc/57/85/85/487578585.db2.gz BHSRELCLXMXUMF-SNVBAGLBSA-N 0 1 203.289 2.238 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCCOCC1CC1 ZINC000680381461 487579960 /nfs/dbraw/zinc/57/99/60/487579960.db2.gz SNWOENHMZUIISF-VIFPVBQESA-N 0 1 238.331 2.369 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1cccc(O)c1 ZINC000685832947 487581681 /nfs/dbraw/zinc/58/16/81/487581681.db2.gz QQPNWNDELCANRR-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN CCN(Cc1ccoc1)Cc1[nH]ncc1C ZINC000685835531 487584213 /nfs/dbraw/zinc/58/42/13/487584213.db2.gz NAZUVQBPKVQXRN-UHFFFAOYSA-N 0 1 219.288 2.333 20 0 BEADMN Cc1ccnc(NCc2ccc3nc[nH]c3c2)n1 ZINC001651240955 1172936181 /nfs/dbraw/zinc/93/61/81/1172936181.db2.gz YGRQRCBTUICSIA-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cn1cc(Cl)c(CNCCC(C)(C)F)n1 ZINC001651299706 1172942710 /nfs/dbraw/zinc/94/27/10/1172942710.db2.gz IOZJBHSVGLWJSV-UHFFFAOYSA-N 0 1 233.718 2.301 20 0 BEADMN Fc1ccc(CNCc2ccnc(F)c2)cn1 ZINC001651388993 1172949515 /nfs/dbraw/zinc/94/95/15/1172949515.db2.gz QJSYBZJJJRGGLU-UHFFFAOYSA-N 0 1 235.237 2.045 20 0 BEADMN CC(C)OC[C@H](C)N[C@H](CCO)c1ccco1 ZINC000337304772 167267808 /nfs/dbraw/zinc/26/78/08/167267808.db2.gz QVDFIXCLXUOIEJ-NWDGAFQWSA-N 0 1 241.331 2.106 20 0 BEADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccoc1 ZINC000680422940 487591309 /nfs/dbraw/zinc/59/13/09/487591309.db2.gz AMUGRYRPUUBEIH-QMMMGPOBSA-N 0 1 232.287 2.126 20 0 BEADMN Fc1ccc(SCc2nnc[nH]2)cc1 ZINC001651552343 1172957075 /nfs/dbraw/zinc/95/70/75/1172957075.db2.gz CKHIEKCJMHJCQV-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(Cl)cc1 ZINC001651621339 1172965560 /nfs/dbraw/zinc/96/55/60/1172965560.db2.gz UPDQRYRYILBCIG-SECBINFHSA-N 0 1 240.715 2.306 20 0 BEADMN Cl/C=C\C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001651651709 1172969062 /nfs/dbraw/zinc/96/90/62/1172969062.db2.gz XTJKSAXYBVBQKM-RJRFIUFISA-N 0 1 221.691 2.405 20 0 BEADMN CC(C)SCCN1CCOC(C)(C)C1 ZINC000336683588 167326486 /nfs/dbraw/zinc/32/64/86/167326486.db2.gz JDYFPFCWXWJCDM-UHFFFAOYSA-N 0 1 217.378 2.239 20 0 BEADMN CCc1cnc(CNC2(CCO)CCCC2)o1 ZINC000660678273 409525482 /nfs/dbraw/zinc/52/54/82/409525482.db2.gz KHDUKEJIXKCPNE-UHFFFAOYSA-N 0 1 238.331 2.022 20 0 BEADMN CCn1nnc(C)c1CN(C)C[C@@H]1CC1(C)C ZINC000662344792 409657999 /nfs/dbraw/zinc/65/79/99/409657999.db2.gz TUWJJTNJVBORKY-NSHDSACASA-N 0 1 236.363 2.084 20 0 BEADMN CC12CC(C1)CN2CC(=O)Nc1ccccc1 ZINC000662382313 409687371 /nfs/dbraw/zinc/68/73/71/409687371.db2.gz RHQRMKOUBDTEGI-UHFFFAOYSA-N 0 1 230.311 2.109 20 0 BEADMN COCc1cc(CNC2(C3CCC3)CC2)no1 ZINC000651958514 409687500 /nfs/dbraw/zinc/68/75/00/409687500.db2.gz CTUOJEFJNNSGBU-UHFFFAOYSA-N 0 1 236.315 2.243 20 0 BEADMN CC1(C)C[C@@H](N2CCO[C@H](C3CCC3)C2)CO1 ZINC000660796542 409758165 /nfs/dbraw/zinc/75/81/65/409758165.db2.gz KOODESVLMJZCKW-OLZOCXBDSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H](N)c1ccccc1 ZINC000662626336 409798614 /nfs/dbraw/zinc/79/86/14/409798614.db2.gz GDIGVLWUHXIHSD-YPMHNXCESA-N 0 1 234.343 2.239 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@H](C)[C@H]2C)[nH]1 ZINC000660824581 409801346 /nfs/dbraw/zinc/80/13/46/409801346.db2.gz OLJBILMUWLWHCM-MMWGEVLESA-N 0 1 236.363 2.404 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000308790530 409906141 /nfs/dbraw/zinc/90/61/41/409906141.db2.gz COJDSUIGFLNWQV-DCAQKATOSA-N 0 1 213.321 2.075 20 0 BEADMN CN(C(=O)[C@H]1CCCCN1C)C1CC(C)(C)C1 ZINC000655336385 409912500 /nfs/dbraw/zinc/91/25/00/409912500.db2.gz NDWRLMNLCPDSDS-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CN(C)CC(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000655365138 409957305 /nfs/dbraw/zinc/95/73/05/409957305.db2.gz ZRWBKUNYUGPGRB-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(CCC1CCCCCC1)N1CCNCC1 ZINC000655410997 410213548 /nfs/dbraw/zinc/21/35/48/410213548.db2.gz MXSCWQFQZVJXRI-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CN(Cc1cc(C(C)(C)C)on1)Cc1cnc[nH]1 ZINC000661089641 410157872 /nfs/dbraw/zinc/15/78/72/410157872.db2.gz DTITZKSDRVYXDR-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCF)CC[C@@H]1C(=O)[O-] ZINC000309145779 410264376 /nfs/dbraw/zinc/26/43/76/410264376.db2.gz IRLXRLWUOBMCJD-MNOVXSKESA-N 0 1 231.311 2.169 20 0 BEADMN c1csc(CN[C@H]2CNc3ccccc3C2)n1 ZINC000650716799 410349547 /nfs/dbraw/zinc/34/95/47/410349547.db2.gz KCCSHRWXGSFVKS-LLVKDONJSA-N 0 1 245.351 2.270 20 0 BEADMN CCOC(=O)c1ccc(CN2CCCCC2)nc1 ZINC000260650137 487614905 /nfs/dbraw/zinc/61/49/05/487614905.db2.gz GJTPGVVVVNBPBV-UHFFFAOYSA-N 0 1 248.326 2.244 20 0 BEADMN OC[C@H](NCc1c(F)cccc1F)C1CCC1 ZINC000661155490 410309122 /nfs/dbraw/zinc/30/91/22/410309122.db2.gz UVKZVCLAIGATFU-ZDUSSCGKSA-N 0 1 241.281 2.215 20 0 BEADMN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])co2)CC[C@@H]1C ZINC000130290917 410397928 /nfs/dbraw/zinc/39/79/28/410397928.db2.gz NZCBHDVYUPAZEW-UWVGGRQHSA-N 0 1 237.299 2.456 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc2c1CCC2 ZINC000650790356 410437529 /nfs/dbraw/zinc/43/75/29/410437529.db2.gz FMTMCWKDVSKAFX-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN CCC(CC)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650795265 410443682 /nfs/dbraw/zinc/44/36/82/410443682.db2.gz UHKMRWJKYHMNMM-ONGXEEELSA-N 0 1 213.321 2.360 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@H]1CC=CCC1 ZINC000650794557 410444488 /nfs/dbraw/zinc/44/44/88/410444488.db2.gz AKKMTNRSDUBORM-GRYCIOLGSA-N 0 1 223.316 2.280 20 0 BEADMN Cc1cccc(NC[C@H](CO)CC2CC2)n1 ZINC000664462873 410586731 /nfs/dbraw/zinc/58/67/31/410586731.db2.gz RCPJBQXSFXDDEY-GFCCVEGCSA-N 0 1 220.316 2.211 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccco2)no1 ZINC000070131151 410698263 /nfs/dbraw/zinc/69/82/63/410698263.db2.gz CLNHJSLSUJUNEJ-ZETCQYMHSA-N 0 1 207.233 2.000 20 0 BEADMN FC1(F)CC[C@@H](N[C@H]2CCn3ccnc32)C1 ZINC000393526892 410747244 /nfs/dbraw/zinc/74/72/44/410747244.db2.gz XYOQARJSTZEYRC-BDAKNGLRSA-N 0 1 227.258 2.105 20 0 BEADMN CC(C)CCCN1CC[S@](=O)C[C@@H](C)C1 ZINC000373036576 166803802 /nfs/dbraw/zinc/80/38/02/166803802.db2.gz RWMYPILXFAUSRE-WFASDCNBSA-N 0 1 231.405 2.123 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000126546494 166903731 /nfs/dbraw/zinc/90/37/31/166903731.db2.gz BFPIVNPXEGSUKY-JTQLQIEISA-N 0 1 249.358 2.453 20 0 BEADMN CCCC(C)(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000651265142 410891849 /nfs/dbraw/zinc/89/18/49/410891849.db2.gz FQYHWPBKRVUNBI-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](CO)CNc1ccc2cnccc2c1 ZINC000651272027 410894867 /nfs/dbraw/zinc/89/48/67/410894867.db2.gz MOGNSAUTLKVURH-SNVBAGLBSA-N 0 1 216.284 2.275 20 0 BEADMN CC(C)CNCc1nccc(C(F)F)n1 ZINC000288359484 167009233 /nfs/dbraw/zinc/00/92/33/167009233.db2.gz CVTBVISFIBYZQE-UHFFFAOYSA-N 0 1 215.247 2.160 20 0 BEADMN CC(C)CN[C@@H](CO)c1c(F)cccc1F ZINC000038122115 167012330 /nfs/dbraw/zinc/01/23/30/167012330.db2.gz VCHOVTOECRQIJV-NSHDSACASA-N 0 1 229.270 2.244 20 0 BEADMN CC(C)NC(=O)CN(C)[C@H]1C=CCCCCC1 ZINC000338924479 167048954 /nfs/dbraw/zinc/04/89/54/167048954.db2.gz JGQSGQJCBSLPLQ-ZDUSSCGKSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)NCc1c(F)ccc(O)c1F ZINC000293795187 167117423 /nfs/dbraw/zinc/11/74/23/167117423.db2.gz BPUHPAWJWBPWQZ-UHFFFAOYSA-N 0 1 201.216 2.168 20 0 BEADMN CC(C)Nc1ccc(CCN2CCOCC2)cc1 ZINC000133001672 167144887 /nfs/dbraw/zinc/14/48/87/167144887.db2.gz IRILKWDZOWCEBD-UHFFFAOYSA-N 0 1 248.370 2.382 20 0 BEADMN CC(C)OC1CC(NCc2nccs2)C1 ZINC000185850718 167177366 /nfs/dbraw/zinc/17/73/66/167177366.db2.gz JYQUQCVGWYJEGZ-UHFFFAOYSA-N 0 1 226.345 2.189 20 0 BEADMN CC(C)OC[C@@H](O)CN1Cc2ccccc2[C@H]1C ZINC000336691644 167260736 /nfs/dbraw/zinc/26/07/36/167260736.db2.gz BDASKXJSKOKUBH-OCCSQVGLSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2ccon2)C1(C)C ZINC000361235685 167282339 /nfs/dbraw/zinc/28/23/39/167282339.db2.gz DUCNGNPPHCWGKC-NEPJUHHUSA-N 0 1 238.331 2.356 20 0 BEADMN CC(C)Oc1ccc(CN2CCN(C)CC2)cc1 ZINC000069670539 167293669 /nfs/dbraw/zinc/29/36/69/167293669.db2.gz ZCJPAGAHAGJCAP-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN CCc1nnc(SCCN2CCCCC2)o1 ZINC000041368832 410919230 /nfs/dbraw/zinc/91/92/30/410919230.db2.gz RZFXKGKBBOPTJN-UHFFFAOYSA-N 0 1 241.360 2.210 20 0 BEADMN CC(C)Oc1ccccc1CN1CCN(C)CC1 ZINC000070703343 167310113 /nfs/dbraw/zinc/31/01/13/167310113.db2.gz WYIUCEPEHZNITD-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN CC(C)[C@@H](C(=O)Nc1ccccc1)N(C)C ZINC000060462812 167345471 /nfs/dbraw/zinc/34/54/71/167345471.db2.gz BQYGDARNFLOMEA-LBPRGKRZSA-N 0 1 220.316 2.211 20 0 BEADMN CC(C)[C@@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268928793 167351709 /nfs/dbraw/zinc/35/17/09/167351709.db2.gz DYTCSSBYTLDEPS-KOLCDFICSA-N 0 1 235.331 2.195 20 0 BEADMN CC(C)[C@@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000339389619 167362370 /nfs/dbraw/zinc/36/23/70/167362370.db2.gz HPFXJZQQCOLDJO-VIFPVBQESA-N 0 1 223.320 2.242 20 0 BEADMN CC(C)[C@@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000020368584 167385456 /nfs/dbraw/zinc/38/54/56/167385456.db2.gz BHUCAJLCRJSJDI-MRVPVSSYSA-N 0 1 208.261 2.236 20 0 BEADMN CCCC(C)(C)C(=O)NCc1cc(C)[nH]n1 ZINC000651340737 410923757 /nfs/dbraw/zinc/92/37/57/410923757.db2.gz HZBPKPPPTMPNKQ-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](CO)CC2CCC2)c2nccn21 ZINC000651340561 410924113 /nfs/dbraw/zinc/92/41/13/410924113.db2.gz ZCVOXTVFIZPFDB-WXHSDQCUSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](CO)CCF)o1 ZINC000652015854 410972004 /nfs/dbraw/zinc/97/20/04/410972004.db2.gz NCALPFDKEICZCD-FOGDFJRCSA-N 0 1 241.306 2.213 20 0 BEADMN Cc1nccc(N(C)[C@@H](C)CCO)c1Cl ZINC000651472426 411052845 /nfs/dbraw/zinc/05/28/45/411052845.db2.gz YLIHRKNPBFJRNI-QMMMGPOBSA-N 0 1 228.723 2.251 20 0 BEADMN COc1cc(OC)c(CN2CCCC2)cc1F ZINC000651605877 411129202 /nfs/dbraw/zinc/12/92/02/411129202.db2.gz XNZKWWSSSPDYPV-UHFFFAOYSA-N 0 1 239.290 2.439 20 0 BEADMN Cc1cnc(N2CCN3CCCC[C@H]3C2)s1 ZINC000302113173 411135443 /nfs/dbraw/zinc/13/54/43/411135443.db2.gz QIJLLWMVQFXTNZ-NSHDSACASA-N 0 1 237.372 2.126 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000044620421 411138690 /nfs/dbraw/zinc/13/86/90/411138690.db2.gz ZKWWSJKMUGOXSW-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1F ZINC000044623247 411138830 /nfs/dbraw/zinc/13/88/30/411138830.db2.gz LHQKXANBUQEALI-LLVKDONJSA-N 0 1 243.253 2.260 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@@H](C)C2)n[nH]1 ZINC000044834692 411141370 /nfs/dbraw/zinc/14/13/70/411141370.db2.gz HKRLOIMOKXMYLR-SNVBAGLBSA-N 0 1 235.331 2.405 20 0 BEADMN COC[C@H](CC(C)(C)C)NCc1ccno1 ZINC000651760434 411142073 /nfs/dbraw/zinc/14/20/73/411142073.db2.gz AXIMAZHFVTWEBE-JTQLQIEISA-N 0 1 226.320 2.215 20 0 BEADMN CC(C)(O)C1CN(Cc2cc3cnccc3o2)C1 ZINC000651828583 411146591 /nfs/dbraw/zinc/14/65/91/411146591.db2.gz SIELHRVEIVOGEL-UHFFFAOYSA-N 0 1 246.310 2.031 20 0 BEADMN COCC1(C)CN(Cc2cc3cnccc3o2)C1 ZINC000651828312 411146632 /nfs/dbraw/zinc/14/66/32/411146632.db2.gz AYHKBECRZRGNCL-UHFFFAOYSA-N 0 1 246.310 2.296 20 0 BEADMN CCCc1cc(C(=O)N(C)CC(C)C)n[nH]1 ZINC000045501803 411147244 /nfs/dbraw/zinc/14/72/44/411147244.db2.gz MTGXURVAQRCTBD-UHFFFAOYSA-N 0 1 223.320 2.090 20 0 BEADMN Cc1ccccc1-n1[nH]c(C2CC2)cc1=O ZINC000109279555 411149860 /nfs/dbraw/zinc/14/98/60/411149860.db2.gz IHVLFHPJMRLAJV-UHFFFAOYSA-N 0 1 214.268 2.498 20 0 BEADMN Cc1cccc(-n2[nH]c(C3CC3)cc2=O)c1 ZINC000109279562 411149870 /nfs/dbraw/zinc/14/98/70/411149870.db2.gz LYISZCRWRATUOA-UHFFFAOYSA-N 0 1 214.268 2.498 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cccc(O)c1Cl ZINC000652049460 411095456 /nfs/dbraw/zinc/09/54/56/411095456.db2.gz HZUAOQDQMXPWEL-VIFPVBQESA-N 0 1 243.734 2.248 20 0 BEADMN COCc1cc(CNC2CC3(CCC3)C2)no1 ZINC000652050618 411097413 /nfs/dbraw/zinc/09/74/13/411097413.db2.gz IASIBHVTTRYYMK-UHFFFAOYSA-N 0 1 236.315 2.243 20 0 BEADMN CSc1nc(=O)n(CCC(C)(C)C2CC2)[nH]1 ZINC000655501287 411101039 /nfs/dbraw/zinc/10/10/39/411101039.db2.gz WFKHXHFFDRWUJL-UHFFFAOYSA-N 0 1 241.360 2.120 20 0 BEADMN CCc1nocc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652064080 411103081 /nfs/dbraw/zinc/10/30/81/411103081.db2.gz CGZDYYRGDTWXCU-NSHDSACASA-N 0 1 242.269 2.468 20 0 BEADMN OCc1ccc(CN2CC[C@@]3(CC3(F)F)C2)o1 ZINC000652063427 411103758 /nfs/dbraw/zinc/10/37/58/411103758.db2.gz LWMVYUIRSOFIPS-LLVKDONJSA-N 0 1 243.253 2.003 20 0 BEADMN CCCC(C)(C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000651546391 411118097 /nfs/dbraw/zinc/11/80/97/411118097.db2.gz RQHOSQIXRVPFQD-JTQLQIEISA-N 0 1 249.358 2.210 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CC1=CCCC1 ZINC000401019961 411172121 /nfs/dbraw/zinc/17/21/21/411172121.db2.gz GHEJDSDTEFVYJS-LLVKDONJSA-N 0 1 209.289 2.036 20 0 BEADMN NC(=O)C[N@@H+](CCCC1CCC1)C1CCCC1 ZINC000659878671 411174066 /nfs/dbraw/zinc/17/40/66/411174066.db2.gz OBXNCLXNRVDZSA-UHFFFAOYSA-N 0 1 238.375 2.297 20 0 BEADMN CC(C)[C@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000656091264 411174196 /nfs/dbraw/zinc/17/41/96/411174196.db2.gz ALPXAWBWXLCECR-VIFPVBQESA-N 0 1 247.298 2.332 20 0 BEADMN CC1(C)CC[C@H](CN[C@@H]2CCCn3ccnc32)O1 ZINC000655756708 411187833 /nfs/dbraw/zinc/18/78/33/411187833.db2.gz WPXSINMWEVCADE-VXGBXAGGSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H](C)COCC1CC1 ZINC000652287071 411188305 /nfs/dbraw/zinc/18/83/05/411188305.db2.gz MPEWCRBTAMNLOB-CMPLNLGQSA-N 0 1 249.358 2.251 20 0 BEADMN CCn1ncnc1CN[C@H](C)C(C)(C)C(F)F ZINC000658000339 411193850 /nfs/dbraw/zinc/19/38/50/411193850.db2.gz ZMVWGDFKSDSNLV-MRVPVSSYSA-N 0 1 246.305 2.067 20 0 BEADMN C[C@H](N[C@H](CO)CCF)c1cccc(F)c1F ZINC000652303086 411193985 /nfs/dbraw/zinc/19/39/85/411193985.db2.gz NYVOXEHYNZANBO-IUCAKERBSA-N 0 1 247.260 2.336 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc(F)cn1 ZINC000402086702 411195734 /nfs/dbraw/zinc/19/57/34/411195734.db2.gz YHYUTPXRHWJPPP-KKZNHRDASA-N 0 1 224.279 2.049 20 0 BEADMN Cc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cn1 ZINC000656191155 411197270 /nfs/dbraw/zinc/19/72/70/411197270.db2.gz NRUPOFSQNUROAW-SNVBAGLBSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)C1CC(N[C@H]2C[C@@H](C)n3ncnc32)C1 ZINC000658099834 411245394 /nfs/dbraw/zinc/24/53/94/411245394.db2.gz DQTBRGNZWXZDPA-YYJSSNLHSA-N 0 1 234.347 2.308 20 0 BEADMN CC[C@@H](NCc1ncc(C)cn1)[C@@H]1CCCCO1 ZINC000653874548 411205236 /nfs/dbraw/zinc/20/52/36/411205236.db2.gz ILULSUJMLPQRLC-OLZOCXBDSA-N 0 1 249.358 2.222 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCC23CCC3)c2ncnn21 ZINC000658099869 411245571 /nfs/dbraw/zinc/24/55/71/411245571.db2.gz CDCKLGKOMFVCTJ-GMTAPVOTSA-N 0 1 232.331 2.206 20 0 BEADMN CC[C@H](NCc1cc(C)on1)[C@H]1CCCCO1 ZINC000653881669 411207598 /nfs/dbraw/zinc/20/75/98/411207598.db2.gz ZYPQRGSDIMVKAC-QWHCGFSZSA-N 0 1 238.331 2.420 20 0 BEADMN CC(C)n1cncc1CN[C@H](C)c1cnn(C)c1 ZINC000336785060 167783526 /nfs/dbraw/zinc/78/35/26/167783526.db2.gz BANCSSZEJXTWIM-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN C[C@@H](N[C@H]1CCCSCC1)c1csnn1 ZINC000658034898 411210497 /nfs/dbraw/zinc/21/04/97/411210497.db2.gz MDROYHYGCLSXAU-BDAKNGLRSA-N 0 1 243.401 2.474 20 0 BEADMN CC(C)(C)OCCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000652350917 411210793 /nfs/dbraw/zinc/21/07/93/411210793.db2.gz VZMQPKQSQNMDSW-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN COCC1(CNc2ccnc(C)c2Cl)CC1 ZINC000656213316 411211570 /nfs/dbraw/zinc/21/15/70/411211570.db2.gz SKXKGGCEQFBYHL-UHFFFAOYSA-N 0 1 240.734 2.304 20 0 BEADMN COCc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1 ZINC000653903003 411219734 /nfs/dbraw/zinc/21/97/34/411219734.db2.gz CCKFGHZMGLIRAS-LBPRGKRZSA-N 0 1 249.354 2.178 20 0 BEADMN FC1(F)CC12CN(Cc1[nH]nc3ccccc31)C2 ZINC000656265585 411221842 /nfs/dbraw/zinc/22/18/42/411221842.db2.gz CNTWQOUMFBGNLI-UHFFFAOYSA-N 0 1 249.264 2.404 20 0 BEADMN Cc1cccc(CN(C[C@H](C)O)C2CC2)c1F ZINC000656280061 411226485 /nfs/dbraw/zinc/22/64/85/411226485.db2.gz SMEGFZQSTXEEFI-NSHDSACASA-N 0 1 237.318 2.479 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C[C@@H]1C ZINC000652418496 411237284 /nfs/dbraw/zinc/23/72/84/411237284.db2.gz VOMVRIVYQZPVJM-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C[C@H]1C ZINC000652418497 411237858 /nfs/dbraw/zinc/23/78/58/411237858.db2.gz VOMVRIVYQZPVJM-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN CCN(Cc1ccccn1)[C@H]1COC(C)(C)C1 ZINC000660000113 411165022 /nfs/dbraw/zinc/16/50/22/411165022.db2.gz NILAVKGUJLOHQF-CYBMUJFWSA-N 0 1 234.343 2.471 20 0 BEADMN COC(C)(C)CN(C)Cc1cc(C2CC2)no1 ZINC000660001950 411166981 /nfs/dbraw/zinc/16/69/81/411166981.db2.gz ZAWNSMJFNJKDEP-UHFFFAOYSA-N 0 1 238.331 2.409 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1C ZINC000086806928 411261567 /nfs/dbraw/zinc/26/15/67/411261567.db2.gz PSSINQLOBILHRU-LLVKDONJSA-N 0 1 235.327 2.456 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086789721 411261962 /nfs/dbraw/zinc/26/19/62/411261962.db2.gz NLWAAMWWXCNKGY-LLVKDONJSA-N 0 1 245.278 2.339 20 0 BEADMN CC(C)(C)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652512914 411262712 /nfs/dbraw/zinc/26/27/12/411262712.db2.gz RWXSZLIVRWMCTK-NWDGAFQWSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)C[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513096 411263133 /nfs/dbraw/zinc/26/31/33/411263133.db2.gz VVKQTXMDKOPUKB-WCFLWFBJSA-N 0 1 239.359 2.464 20 0 BEADMN CC(C)CCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652514974 411263276 /nfs/dbraw/zinc/26/32/76/411263276.db2.gz JFCYOZNOUAEFMB-QWHCGFSZSA-N 0 1 239.359 2.465 20 0 BEADMN N[C@@H](c1cn(C2CC2)nn1)c1ccc(Cl)cc1 ZINC000656455584 411264842 /nfs/dbraw/zinc/26/48/42/411264842.db2.gz GNKJIIIUCLPFAW-GFCCVEGCSA-N 0 1 248.717 2.315 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)n1cc(CNC2CC2)nn1 ZINC000656458600 411267576 /nfs/dbraw/zinc/26/75/76/411267576.db2.gz BXKUGJNOEBXTNZ-RISCZKNCSA-N 0 1 248.374 2.455 20 0 BEADMN CCc1nnc(SCc2ncccc2C)[nH]1 ZINC000092849875 411270283 /nfs/dbraw/zinc/27/02/83/411270283.db2.gz AJHVGMXCHQHQJT-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2ncccc2C)n1 ZINC000092849875 411270288 /nfs/dbraw/zinc/27/02/88/411270288.db2.gz AJHVGMXCHQHQJT-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000659787937 411274795 /nfs/dbraw/zinc/27/47/95/411274795.db2.gz HPPGEDIXXAXHSN-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN CCCC[C@H](CC)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658162854 411276305 /nfs/dbraw/zinc/27/63/05/411276305.db2.gz WLPLXWLLVMQINK-JTQLQIEISA-N 0 1 240.351 2.010 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)CC1CC=CC1 ZINC000659788532 411277161 /nfs/dbraw/zinc/27/71/61/411277161.db2.gz JYJNYUSRLILMOJ-UHFFFAOYSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC=CC2)[C@H](C(=O)[O-])C1 ZINC000659790097 411279815 /nfs/dbraw/zinc/27/98/15/411279815.db2.gz WXKSWTKSIVRAMW-PWSUYJOCSA-N 0 1 223.316 2.138 20 0 BEADMN FC(F)[C@H]1CCN(CCn2cc(Cl)cn2)C1 ZINC000656482835 411281575 /nfs/dbraw/zinc/28/15/75/411281575.db2.gz OPSYIKGNNZFCJT-QMMMGPOBSA-N 0 1 249.692 2.124 20 0 BEADMN C[C@H]1CCCN1Cc1cc2n(n1)CCCC2 ZINC000649545565 411289654 /nfs/dbraw/zinc/28/96/54/411289654.db2.gz JUXFMPPQQPNXKS-NSHDSACASA-N 0 1 219.332 2.204 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2cc3n(n2)CCC3)C1 ZINC000649545465 411289687 /nfs/dbraw/zinc/28/96/87/411289687.db2.gz GVFBQXGUTWETCY-RYUDHWBXSA-N 0 1 233.359 2.450 20 0 BEADMN C[N@@H+](CCCc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801379 411291594 /nfs/dbraw/zinc/29/15/94/411291594.db2.gz GABMKZYEMQPZLZ-OKILXGFUSA-N 0 1 247.338 2.414 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](CCCc1ccsc1)CC2 ZINC000661723764 411291689 /nfs/dbraw/zinc/29/16/89/411291689.db2.gz TVFLTPUQUPCYHQ-QWHCGFSZSA-N 0 1 237.368 2.137 20 0 BEADMN COCC1(NCc2cscn2)CCCC1 ZINC000566498072 411296223 /nfs/dbraw/zinc/29/62/23/411296223.db2.gz AKCWDOXYFYFAIJ-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN FC(F)C1CN(Cc2[nH]nc3ccccc32)C1 ZINC000656690349 411329995 /nfs/dbraw/zinc/32/99/95/411329995.db2.gz LAFRYYJJFUHDMK-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN NC1(c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)CCC1 ZINC000656560884 411301260 /nfs/dbraw/zinc/30/12/60/411301260.db2.gz LATWDQBNIDSMFT-IVZWLZJFSA-N 0 1 233.315 2.311 20 0 BEADMN C[C@@H](Cc1ccco1)c1nc(C2(N)CCC2)no1 ZINC000656561045 411301284 /nfs/dbraw/zinc/30/12/84/411301284.db2.gz OVSNCPDGMVVVGW-VIFPVBQESA-N 0 1 247.298 2.347 20 0 BEADMN CCN1CC[C@@H](N(C)Cc2ccc(C)cc2)C1=O ZINC000659826612 411309418 /nfs/dbraw/zinc/30/94/18/411309418.db2.gz IUTTXQGJFTXCFJ-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1cnccn1 ZINC000656691909 411331566 /nfs/dbraw/zinc/33/15/66/411331566.db2.gz YSYOZQWKALVCRY-UTUOFQBUSA-N 0 1 235.331 2.085 20 0 BEADMN CC1(NC(=O)c2ccc3cncn3c2)CC=CC1 ZINC000654016359 411316577 /nfs/dbraw/zinc/31/65/77/411316577.db2.gz XDVXBOKTCWRRHF-UHFFFAOYSA-N 0 1 241.294 2.173 20 0 BEADMN c1nc2c(ncnc2NCCCC2CCC2)[nH]1 ZINC000656654445 411317171 /nfs/dbraw/zinc/31/71/71/411317171.db2.gz OTIZAPDXLZWNSB-UHFFFAOYSA-N 0 1 231.303 2.297 20 0 BEADMN Cc1cncc(CCN[C@H](C)c2cscn2)n1 ZINC000658262947 411317836 /nfs/dbraw/zinc/31/78/36/411317836.db2.gz XFLAFQWZNUOTEM-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CC1(C)[C@@H](CN[C@@H]2CCn3ccnc32)C1(F)F ZINC000658280019 411319994 /nfs/dbraw/zinc/31/99/94/411319994.db2.gz CSPYDGALRQHPKZ-RKDXNWHRSA-N 0 1 241.285 2.209 20 0 BEADMN C[C@@H](Cc1ccccc1F)NCc1ncccn1 ZINC000658278763 411319999 /nfs/dbraw/zinc/31/99/99/411319999.db2.gz PQXIQERYFGCOFA-NSHDSACASA-N 0 1 245.301 2.337 20 0 BEADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccn(C)n1 ZINC000658283224 411321464 /nfs/dbraw/zinc/32/14/64/411321464.db2.gz YPSFUJYPEKKASI-WPRPVWTQSA-N 0 1 243.301 2.362 20 0 BEADMN c1cn2c(n1)[C@@H](NCC1=CCCC1)CCC2 ZINC000658291772 411324419 /nfs/dbraw/zinc/32/44/19/411324419.db2.gz SQUUSKHMVWJOGX-LBPRGKRZSA-N 0 1 217.316 2.418 20 0 BEADMN O=C([O-])CC[N@H+](CC1=CCCC1)CC1CC1 ZINC000652467186 411249138 /nfs/dbraw/zinc/24/91/38/411249138.db2.gz OCTBMFXLNOQVRF-UHFFFAOYSA-N 0 1 223.316 2.283 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)[C@@H]1C=CCCC1 ZINC000652467875 411249814 /nfs/dbraw/zinc/24/98/14/411249814.db2.gz NEPNIDZNFHCVDS-GFCCVEGCSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@H]1CC[C@H]([NH2+]Cc2ncccc2[O-])CS1 ZINC000655768486 411250549 /nfs/dbraw/zinc/25/05/49/411250549.db2.gz FTFITGXQKMIKFW-ZJUUUORDSA-N 0 1 238.356 2.161 20 0 BEADMN CC(C)Cn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000656442966 411250582 /nfs/dbraw/zinc/25/05/82/411250582.db2.gz MJXFOPNGNWTUGR-ZDUSSCGKSA-N 0 1 248.305 2.121 20 0 BEADMN c1cnc2nc(N3CCc4cnccc43)ccc2n1 ZINC000127780784 411253288 /nfs/dbraw/zinc/25/32/88/411253288.db2.gz ZCWYLUWYQPNJJI-UHFFFAOYSA-N 0 1 249.277 2.114 20 0 BEADMN Cc1ccnc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000652483006 411254541 /nfs/dbraw/zinc/25/45/41/411254541.db2.gz YFTRJQVJWRVECN-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN CCC[C@H](CN[C@H]1CCCn2ccnc21)OC ZINC000655772565 411255293 /nfs/dbraw/zinc/25/52/93/411255293.db2.gz YVSSXFKRYMOQOG-NEPJUHHUSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000652486597 411256315 /nfs/dbraw/zinc/25/63/15/411256315.db2.gz NZHSHPWELRVLCP-QRMWWUJWSA-N 0 1 237.343 2.363 20 0 BEADMN CC(C)C[C@@H](NC/C=C\CO)c1ccccn1 ZINC000658132329 411256969 /nfs/dbraw/zinc/25/69/69/411256969.db2.gz HEJYBTMEQJETIK-GEXIGZQTSA-N 0 1 234.343 2.307 20 0 BEADMN Cc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)nc1 ZINC000652488816 411257079 /nfs/dbraw/zinc/25/70/79/411257079.db2.gz NDEANWWNIKRVOH-NSHDSACASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(CN[C@@H]2CC[C@H](C)SC2)no1 ZINC000655706969 411257191 /nfs/dbraw/zinc/25/71/91/411257191.db2.gz PXSAISQRJISAPL-VHSXEESVSA-N 0 1 226.345 2.357 20 0 BEADMN Cc1ccnc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000652488697 411257210 /nfs/dbraw/zinc/25/72/10/411257210.db2.gz DPQZTJMYJFYCSI-LLVKDONJSA-N 0 1 248.326 2.075 20 0 BEADMN O=C([O-])c1cccc2c1C[N@@H+](CC1CC1)CC2 ZINC000652488429 411257860 /nfs/dbraw/zinc/25/78/60/411257860.db2.gz SEWPYCPILJTVGU-UHFFFAOYSA-N 0 1 231.295 2.153 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])nc1 ZINC000652502582 411260219 /nfs/dbraw/zinc/26/02/19/411260219.db2.gz FMILNRAYPOPFHZ-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@H]2CCC[C@@H]21 ZINC000336392582 167950363 /nfs/dbraw/zinc/95/03/63/167950363.db2.gz XUZSWVHLRMURFM-ONGXEEELSA-N 0 1 233.315 2.060 20 0 BEADMN O=C([O-])C[N@@H+](CCCC1CCC1)CC1CC1 ZINC000656755790 411350618 /nfs/dbraw/zinc/35/06/18/411350618.db2.gz CSPMRBUKFLWCQP-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCCC1CCC1 ZINC000656756142 411351416 /nfs/dbraw/zinc/35/14/16/411351416.db2.gz ZVFXGPJAYZOWBA-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000656759203 411352642 /nfs/dbraw/zinc/35/26/42/411352642.db2.gz XPDIERXDQHZVDI-NSHDSACASA-N 0 1 247.338 2.295 20 0 BEADMN Cc1ccc2c(c1)C[N@@H+]([C@@H](C(=O)[O-])C1CC1)CC2 ZINC000656758306 411352658 /nfs/dbraw/zinc/35/26/58/411352658.db2.gz FCRFIXKMOHKCHA-CQSZACIVSA-N 0 1 245.322 2.216 20 0 BEADMN CC1(C)C[N@@H+](CCC(=O)[O-])CCc2ccccc21 ZINC000656758623 411353124 /nfs/dbraw/zinc/35/31/24/411353124.db2.gz JGZADKITEGEENM-UHFFFAOYSA-N 0 1 247.338 2.297 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CCCc1ccccc1 ZINC000656759498 411354896 /nfs/dbraw/zinc/35/48/96/411354896.db2.gz HEZLUTDBBYFWCS-UHFFFAOYSA-N 0 1 245.322 2.168 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCC(=O)[O-])C[C@@H]1C ZINC000123763283 411355389 /nfs/dbraw/zinc/35/53/89/411355389.db2.gz RVIJHXPJZRHSCY-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN CC1(CNc2cc3c(cn2)CCCC3)COC1 ZINC000336320774 168046905 /nfs/dbraw/zinc/04/69/05/168046905.db2.gz RYRYHKROBVBJIJ-UHFFFAOYSA-N 0 1 232.327 2.409 20 0 BEADMN CCC(=O)CCCN1C[C@@H](CC)OC[C@@H]1C ZINC000403752384 411358571 /nfs/dbraw/zinc/35/85/71/411358571.db2.gz FSQWPOWMQKYVRJ-WCQYABFASA-N 0 1 227.348 2.245 20 0 BEADMN CO[C@@H](CN(C(C)C)C1COC1)C1CCCC1 ZINC000660648894 411373285 /nfs/dbraw/zinc/37/32/85/411373285.db2.gz YQIXBYGCWYJVJA-AWEZNQCLSA-N 0 1 241.375 2.301 20 0 BEADMN CC(C)n1nccc1CNCc1cccc(N)c1 ZINC000656784258 411361684 /nfs/dbraw/zinc/36/16/84/411361684.db2.gz CKJQJGSBUQLEAG-UHFFFAOYSA-N 0 1 244.342 2.336 20 0 BEADMN c1cnc2c(n1)CCN(CCCC1CCC1)C2 ZINC000662118788 411363035 /nfs/dbraw/zinc/36/30/35/411363035.db2.gz KIUVPVFBFUEGKF-UHFFFAOYSA-N 0 1 231.343 2.415 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000070004592 411365218 /nfs/dbraw/zinc/36/52/18/411365218.db2.gz DRDWAUOPSRGOOB-HTQZYQBOSA-N 0 1 225.317 2.062 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@H](C3CC3)C2)nn1 ZINC000377200742 411368080 /nfs/dbraw/zinc/36/80/80/411368080.db2.gz ZRTWQJRJZBXYHD-LBPRGKRZSA-N 0 1 248.374 2.265 20 0 BEADMN Cn1cnnc1CN1CCCC[C@@H]1CC1CCC1 ZINC000662157978 411369763 /nfs/dbraw/zinc/36/97/63/411369763.db2.gz RLNYFGBUIGWNKB-CYBMUJFWSA-N 0 1 248.374 2.360 20 0 BEADMN CC(C)CCc1nc([C@H]2CCCN2)no1 ZINC000070947161 411369842 /nfs/dbraw/zinc/36/98/42/411369842.db2.gz YXPKSMRUYBBRON-SECBINFHSA-N 0 1 209.293 2.083 20 0 BEADMN CC(C)CCc1nc([C@@H]2CCCN2)no1 ZINC000070947157 411369870 /nfs/dbraw/zinc/36/98/70/411369870.db2.gz YXPKSMRUYBBRON-VIFPVBQESA-N 0 1 209.293 2.083 20 0 BEADMN c1cc(Cc2nc([C@@H]3CCCN3)no2)cs1 ZINC000070947169 411370002 /nfs/dbraw/zinc/37/00/02/411370002.db2.gz JARQGQQDVWNAKR-VIFPVBQESA-N 0 1 235.312 2.146 20 0 BEADMN CC[C@@H](O)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656709504 411336168 /nfs/dbraw/zinc/33/61/68/411336168.db2.gz XAQDMLMLIMYGDY-CHWSQXEVSA-N 0 1 223.291 2.343 20 0 BEADMN CCC[C@H](CCO)CNCc1cscn1 ZINC000164959056 411339053 /nfs/dbraw/zinc/33/90/53/411339053.db2.gz ORVXEVJDWLZBNP-SNVBAGLBSA-N 0 1 228.361 2.031 20 0 BEADMN CC[C@@H](N[C@@H]1C[C@]1(C)OC)c1ccc(F)cn1 ZINC000658331549 411339184 /nfs/dbraw/zinc/33/91/84/411339184.db2.gz KVBGJWNWHURGHA-RTXFEEFZSA-N 0 1 238.306 2.439 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H]1CCCc2cccnc21 ZINC000658333353 411340353 /nfs/dbraw/zinc/34/03/53/411340353.db2.gz WPGACIWIQIOBCB-BZPMIXESSA-N 0 1 232.327 2.226 20 0 BEADMN COC[C@H](CC(C)C)N[C@H](C)c1nccn1C ZINC000658335683 411343216 /nfs/dbraw/zinc/34/32/16/411343216.db2.gz FGEJAYHSLNPCGF-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cc(F)cc(F)c1 ZINC000335919671 168007533 /nfs/dbraw/zinc/00/75/33/168007533.db2.gz LFAWNEIOTBAQGQ-GFCCVEGCSA-N 0 1 241.281 2.310 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1c(F)cccc1F ZINC000335919146 168007603 /nfs/dbraw/zinc/00/76/03/168007603.db2.gz UFGJQTIZMVMENX-GFCCVEGCSA-N 0 1 241.281 2.310 20 0 BEADMN CC1(CN2CCOC[C@@H]2[C@H]2CCCO2)CCC1 ZINC000335839100 168026136 /nfs/dbraw/zinc/02/61/36/168026136.db2.gz TUQZYVOPUZTIOK-CHWSQXEVSA-N 0 1 239.359 2.056 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCC[C@H](CCF)C2)CC1 ZINC000656762258 411347053 /nfs/dbraw/zinc/34/70/53/411347053.db2.gz BIBPMOUCLNDPBW-LLVKDONJSA-N 0 1 243.322 2.313 20 0 BEADMN CC1(CN[C@@H]2CCCc3occc32)OCCO1 ZINC000193065810 168045133 /nfs/dbraw/zinc/04/51/33/168045133.db2.gz HMMRTIHLWFXZJO-LLVKDONJSA-N 0 1 237.299 2.010 20 0 BEADMN CC1(NC(=O)Cc2[nH]nc3ccccc32)CCC1 ZINC000125999800 168056028 /nfs/dbraw/zinc/05/60/28/168056028.db2.gz OZQJJNBHNXLIOD-UHFFFAOYSA-N 0 1 243.310 2.164 20 0 BEADMN CC1(NC(=O)c2cccc3nc[nH]c32)CCC1 ZINC000125758411 168061332 /nfs/dbraw/zinc/06/13/32/168061332.db2.gz NDZIXVBGHJWVDM-UHFFFAOYSA-N 0 1 229.283 2.235 20 0 BEADMN CC1(NC(=O)c2coc(CN)c2)CCCCC1 ZINC000187443402 168062839 /nfs/dbraw/zinc/06/28/39/168062839.db2.gz BDVVGYBRKLGOKY-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN CC1=CCCN(Cc2cnn(CC(F)F)c2)C1 ZINC000294667851 168100455 /nfs/dbraw/zinc/10/04/55/168100455.db2.gz LZDVRXKQDZCFLD-UHFFFAOYSA-N 0 1 241.285 2.300 20 0 BEADMN CC1=C(C(=O)NCCN2CC=C(C)CC2)CCC1 ZINC000358058705 168109902 /nfs/dbraw/zinc/10/99/02/168109902.db2.gz QONFWYNNLRIOQL-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC1=C[C@H](C)CN(Cc2cnc3cnccn23)C1 ZINC000336547777 168127319 /nfs/dbraw/zinc/12/73/19/168127319.db2.gz OCZNHWSPGGTIJP-NSHDSACASA-N 0 1 242.326 2.127 20 0 BEADMN CC[C@@H]1CN([C@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000659916633 411381218 /nfs/dbraw/zinc/38/12/18/411381218.db2.gz CTYSPTJHMZZXQV-QJPTWQEYSA-N 0 1 227.348 2.053 20 0 BEADMN CC1CCC(CNC(=O)CCc2cnc[nH]2)CC1 ZINC000192865929 168155422 /nfs/dbraw/zinc/15/54/22/168155422.db2.gz KDNKNTJQRIWOAE-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN CC1CCC(N(C(=O)CN(C)C)C2CC2)CC1 ZINC000338359279 168158345 /nfs/dbraw/zinc/15/83/45/168158345.db2.gz HWGPRYLBGVAMLP-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN CC1CCC(N(C)Cc2nccc(N)n2)CC1 ZINC000268541075 168160211 /nfs/dbraw/zinc/16/02/11/168160211.db2.gz GPQAHSPUVWDHBA-UHFFFAOYSA-N 0 1 234.347 2.069 20 0 BEADMN CC1CCC(NC(=O)[C@H](N)c2ccccc2)CC1 ZINC000019476520 168161962 /nfs/dbraw/zinc/16/19/62/168161962.db2.gz QSVBSWVBAMFQRB-UXUKBGGZSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H](CNC(=O)[C@](C)(N)c1ccccc1)C1CC1 ZINC000125504427 411376325 /nfs/dbraw/zinc/37/63/25/411376325.db2.gz RTPUEWLARVVONS-IAQYHMDHSA-N 0 1 246.354 2.023 20 0 BEADMN CC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000284311005 168176649 /nfs/dbraw/zinc/17/66/49/168176649.db2.gz LMAWDBANIZGDNY-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN CC1CN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000336039189 168190109 /nfs/dbraw/zinc/19/01/09/168190109.db2.gz OWUXRNZYVAJMMO-UHFFFAOYSA-N 0 1 217.272 2.121 20 0 BEADMN CCC(=O)CCSc1nc(C2CC2)n[nH]1 ZINC000117550277 168205273 /nfs/dbraw/zinc/20/52/73/168205273.db2.gz YBFTZRZVRPPZHE-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN CCC(=O)CCSc1n[nH]c(C2CC2)n1 ZINC000117550277 168205275 /nfs/dbraw/zinc/20/52/75/168205275.db2.gz YBFTZRZVRPPZHE-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN CCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000299374772 168232127 /nfs/dbraw/zinc/23/21/27/168232127.db2.gz SJTVTXLSLVVXPA-LLVKDONJSA-N 0 1 238.331 2.189 20 0 BEADMN CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000335727340 168248175 /nfs/dbraw/zinc/24/81/75/168248175.db2.gz LLQUGSHOIMWNMW-UHFFFAOYSA-N 0 1 207.208 2.051 20 0 BEADMN CCN(CCC=C(C)C)[C@H](C)CS(C)(=O)=O ZINC000659928353 411384947 /nfs/dbraw/zinc/38/49/47/411384947.db2.gz XCUXCIQUJWEDDC-GFCCVEGCSA-N 0 1 247.404 2.098 20 0 BEADMN CCC(C)(C)C(=O)NCCCc1cn[nH]c1C ZINC000054403786 168264459 /nfs/dbraw/zinc/26/44/59/168264459.db2.gz DYJRBYXEYMCXTQ-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN CCC(C)(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268968642 168267818 /nfs/dbraw/zinc/26/78/18/168267818.db2.gz LEUOQPZIQSSMHG-SNVBAGLBSA-N 0 1 235.331 2.340 20 0 BEADMN CCC(C)(C)CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000339472040 168273401 /nfs/dbraw/zinc/27/34/01/168273401.db2.gz LIVKNCQVHBFTDS-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)N(C)Cc1nccc(C)n1 ZINC000336649988 168288827 /nfs/dbraw/zinc/28/88/27/168288827.db2.gz SESDEQXRQHLJTH-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000659788561 411454866 /nfs/dbraw/zinc/45/48/66/411454866.db2.gz KNWQSXYMAFWFLU-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC1CC=CC1 ZINC000659788789 411454893 /nfs/dbraw/zinc/45/48/93/411454893.db2.gz NEEHFZXOAPPGBN-UPJWGTAASA-N 0 1 235.327 2.138 20 0 BEADMN C[C@H](C[N@@H+](CC1CC=CC1)C1CC1)C(=O)[O-] ZINC000659789057 411454940 /nfs/dbraw/zinc/45/49/40/411454940.db2.gz PPVISLKCXUCGGX-SNVBAGLBSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H](F)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000659791611 411455658 /nfs/dbraw/zinc/45/56/58/411455658.db2.gz NUIKSNVEFSUJLU-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN CC/C=C\CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000659792510 411455885 /nfs/dbraw/zinc/45/58/85/411455885.db2.gz BEFFJFGWAPYRDR-ARJAWSKDSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cn1 ZINC000659795184 411456862 /nfs/dbraw/zinc/45/68/62/411456862.db2.gz QFQDWUAZPZGTST-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799544 411456987 /nfs/dbraw/zinc/45/69/87/411456987.db2.gz FBEZHSMZILREKU-WZRBSPASSA-N 0 1 249.285 2.293 20 0 BEADMN CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801205 411457541 /nfs/dbraw/zinc/45/75/41/411457541.db2.gz FVTPWSUSJUCVQT-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN Fc1cccc(CNCc2cnc3n2CCC3)c1 ZINC000657300759 411457922 /nfs/dbraw/zinc/45/79/22/411457922.db2.gz MXUBFKNKWUWFIL-UHFFFAOYSA-N 0 1 245.301 2.258 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](CCC1CC1)CC1CC1 ZINC000659803502 411458886 /nfs/dbraw/zinc/45/88/86/411458886.db2.gz JFNGCQBSLOLOLB-GFCCVEGCSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802840 411459096 /nfs/dbraw/zinc/45/90/96/411459096.db2.gz XXLLDYCXSVCZTD-NWDGAFQWSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@@H+](CCC1CC1)CC1CC1 ZINC000659804095 411459191 /nfs/dbraw/zinc/45/91/91/411459191.db2.gz STOYZNXLTPASSM-ZDUSSCGKSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@H](CC(F)F)CN1CCO[C@H](C)C1 ZINC000659811996 411460176 /nfs/dbraw/zinc/46/01/76/411460176.db2.gz MZLQHJHXZZAMRT-NXEZZACHSA-N 0 1 221.291 2.389 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@H](F)C1 ZINC000653012891 411395410 /nfs/dbraw/zinc/39/54/10/411395410.db2.gz SCMONZDUIJGJPK-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN C[C@H](C(=O)N(C)[C@H](C)C(C)(C)C)N1CC(C)C1 ZINC000654453694 411398688 /nfs/dbraw/zinc/39/86/88/411398688.db2.gz DECJKTNKVQURFT-VXGBXAGGSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H](N(C)C(=O)[C@H](C)N1CC(C)C1)C(C)(C)C ZINC000654453692 411398769 /nfs/dbraw/zinc/39/87/69/411398769.db2.gz DECJKTNKVQURFT-NWDGAFQWSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1nc(CN[C@H](C)c2ccsc2)n[nH]1 ZINC000129845693 411403305 /nfs/dbraw/zinc/40/33/05/411403305.db2.gz IIZDKCHWUFXZJV-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN CCN(C[C@@H]1Cc2ccccc21)C1COC1 ZINC000451282955 411403557 /nfs/dbraw/zinc/40/35/57/411403557.db2.gz DIBQZMNBYJYQFY-LBPRGKRZSA-N 0 1 217.312 2.047 20 0 BEADMN C[C@H]1CN(CCCC2CCC2)CCC1=O ZINC000660323513 411412619 /nfs/dbraw/zinc/41/26/19/411412619.db2.gz SGSXQWUCMJUEPP-NSHDSACASA-N 0 1 209.333 2.478 20 0 BEADMN C=C[C@H](C(=O)[O-])[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404988982 411413153 /nfs/dbraw/zinc/41/31/53/411413153.db2.gz FZHAFKVUGNAYMC-SMDDNHRTSA-N 0 1 245.322 2.287 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CCC[C@@H]2O)c(C)s1 ZINC000129907520 411417633 /nfs/dbraw/zinc/41/76/33/411417633.db2.gz GSOTYEKEWYQWEK-GGVZMXCHSA-N 0 1 240.372 2.324 20 0 BEADMN CCN1C(=O)N=NC1SCCC1CCC1 ZINC000657234188 411423588 /nfs/dbraw/zinc/42/35/88/411423588.db2.gz MDKGLPOYBKMPOA-UHFFFAOYSA-N 0 1 227.333 2.286 20 0 BEADMN CCc1nnc(SCC[C@H](C)C(C)=O)[nH]1 ZINC000657239448 411427874 /nfs/dbraw/zinc/42/78/74/411427874.db2.gz MPPCPFQRPLINFY-ZETCQYMHSA-N 0 1 227.333 2.074 20 0 BEADMN CCc1n[nH]c(SCC[C@H](C)C(C)=O)n1 ZINC000657239448 411427877 /nfs/dbraw/zinc/42/78/77/411427877.db2.gz MPPCPFQRPLINFY-ZETCQYMHSA-N 0 1 227.333 2.074 20 0 BEADMN CCc1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)n[nH]1 ZINC000271400263 411429763 /nfs/dbraw/zinc/42/97/63/411429763.db2.gz IRMCDWDHPBHGBU-GXSJLCMTSA-N 0 1 235.331 2.375 20 0 BEADMN CO[C@@H](CSc1cn[nH]n1)C1CCCCC1 ZINC000657252042 411434956 /nfs/dbraw/zinc/43/49/56/411434956.db2.gz QDDFCCQONFWJFQ-JTQLQIEISA-N 0 1 241.360 2.492 20 0 BEADMN O=C(NCc1cnc[nH]1)c1cccc(C2CC2)c1 ZINC000654819391 411450541 /nfs/dbraw/zinc/45/05/41/411450541.db2.gz GYZZHWACEGXSCM-UHFFFAOYSA-N 0 1 241.294 2.217 20 0 BEADMN CCN(Cc1cccs1)C(=O)c1cnc(C)[nH]1 ZINC000264686923 169922162 /nfs/dbraw/zinc/92/21/62/169922162.db2.gz LTSINVWFSWTUPP-UHFFFAOYSA-N 0 1 249.339 2.442 20 0 BEADMN CC(C)n1ccnc1CNC[C@H]1CC[C@H](C)O1 ZINC000657489385 411532811 /nfs/dbraw/zinc/53/28/11/411532811.db2.gz NRDOBBDNOOCGBX-NWDGAFQWSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000655003608 411474424 /nfs/dbraw/zinc/47/44/24/411474424.db2.gz ITUMNMCYFRTIKE-VXGBXAGGSA-N 0 1 238.375 2.022 20 0 BEADMN CN(Cc1cn(C)cn1)C1Cc2ccccc2C1 ZINC000659852047 411477016 /nfs/dbraw/zinc/47/70/16/411477016.db2.gz GPTYPANBSJKVAV-UHFFFAOYSA-N 0 1 241.338 2.019 20 0 BEADMN COCCN(Cc1coc(C)n1)C1CCCC1 ZINC000659852502 411477036 /nfs/dbraw/zinc/47/70/36/411477036.db2.gz MHFDSYQSBARIQH-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1nocc1CN1CCS[C@@H](C)[C@@H]1C ZINC000295438068 411478170 /nfs/dbraw/zinc/47/81/70/411478170.db2.gz UHFFGNNSRSJIFQ-UWVGGRQHSA-N 0 1 226.345 2.309 20 0 BEADMN CCc1nnc([C@H](C)N(C)CC(C)C)[nH]1 ZINC000659856271 411480562 /nfs/dbraw/zinc/48/05/62/411480562.db2.gz BTKHANUNRIHSEM-VIFPVBQESA-N 0 1 210.325 2.016 20 0 BEADMN CC(C)=CCCN1CCN(CC(F)F)CC1 ZINC000659861200 411480766 /nfs/dbraw/zinc/48/07/66/411480766.db2.gz RBOUFTSVMQLMEK-UHFFFAOYSA-N 0 1 232.318 2.225 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000216514904 411482979 /nfs/dbraw/zinc/48/29/79/411482979.db2.gz NLBPPXVRNIWUIA-JTQLQIEISA-N 0 1 227.329 2.433 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000216514945 411483635 /nfs/dbraw/zinc/48/36/35/411483635.db2.gz NLBPPXVRNIWUIA-SNVBAGLBSA-N 0 1 227.329 2.433 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2ncc(C)s2)CO1 ZINC000657375989 411485437 /nfs/dbraw/zinc/48/54/37/411485437.db2.gz HAHHDGDBELTUBJ-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](C(=O)N1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000655051542 411485671 /nfs/dbraw/zinc/48/56/71/411485671.db2.gz MIPKMXCVHTZFCW-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000655051502 411486155 /nfs/dbraw/zinc/48/61/55/411486155.db2.gz FAACAHYNBVWJLB-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1nc([C@H](C)N2Cc3ccccc3C2)n[nH]1 ZINC000659904919 411492791 /nfs/dbraw/zinc/49/27/91/411492791.db2.gz RMLSIQQEPJXNFL-JTQLQIEISA-N 0 1 242.326 2.444 20 0 BEADMN c1c(CN2CCC23CCOCC3)onc1C1CC1 ZINC000660419672 411493417 /nfs/dbraw/zinc/49/34/17/411493417.db2.gz KQBGTBYNTXPBQB-UHFFFAOYSA-N 0 1 248.326 2.307 20 0 BEADMN COC[C@H]1CCCN(Cc2nc(C)oc2C)C1 ZINC000659926358 411499977 /nfs/dbraw/zinc/49/99/77/411499977.db2.gz VNVWGBJDHUKPQP-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN COc1cc(CN2CCCC(C)(C)C2)on1 ZINC000659927601 411500310 /nfs/dbraw/zinc/50/03/10/411500310.db2.gz RTCYRWSUWRHNQY-UHFFFAOYSA-N 0 1 224.304 2.305 20 0 BEADMN Cc1c[nH]c(CN[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000657428158 411504059 /nfs/dbraw/zinc/50/40/59/411504059.db2.gz IGPVKGCHPBCFLZ-JTQLQIEISA-N 0 1 237.347 2.154 20 0 BEADMN Cc1cc(CN[C@@H]2CCOC(C)(C)C2)no1 ZINC000069890493 411504337 /nfs/dbraw/zinc/50/43/37/411504337.db2.gz FESKSCUZHZAKOD-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](O)[C@@H]1CCCCN1Cc1coc(C)n1 ZINC000659945058 411505359 /nfs/dbraw/zinc/50/53/59/411505359.db2.gz ZAPBGKGRSCKACR-STQMWFEESA-N 0 1 238.331 2.108 20 0 BEADMN COc1cc(CN2CCC[C@@H](C)[C@H]2C)on1 ZINC000659950121 411508699 /nfs/dbraw/zinc/50/86/99/411508699.db2.gz LEVFGFKSNXLUMG-NXEZZACHSA-N 0 1 224.304 2.304 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2CC23CCCC3)n1 ZINC000657449235 411510025 /nfs/dbraw/zinc/51/00/25/411510025.db2.gz RQBOFSFQGFAFFC-SNVBAGLBSA-N 0 1 205.305 2.140 20 0 BEADMN CC(F)(F)CCNCc1cn(C2CCC2)nn1 ZINC000657477781 411526682 /nfs/dbraw/zinc/52/66/82/411526682.db2.gz ZPWXKWWTCJXGKQ-UHFFFAOYSA-N 0 1 244.289 2.138 20 0 BEADMN CC/C=C/CNCc1cc(C(F)(F)F)nn1C ZINC000657480357 411528295 /nfs/dbraw/zinc/52/82/95/411528295.db2.gz WDHMDBJVCIGTJA-SNAWJCMRSA-N 0 1 247.264 2.495 20 0 BEADMN C[C@H]1OCCN(CCOCc2ccccc2)[C@H]1C ZINC000660014044 411528740 /nfs/dbraw/zinc/52/87/40/411528740.db2.gz ZVTAQIFZCWOSKT-UONOGXRCSA-N 0 1 249.354 2.312 20 0 BEADMN COc1c(C)cccc1CNCc1cnn(C)c1 ZINC000655832566 411529257 /nfs/dbraw/zinc/52/92/57/411529257.db2.gz WVHKMJGHISJEMY-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCCc1ncc(CN[C@H]2CO[C@@H](CC)C2)o1 ZINC000657486255 411529759 /nfs/dbraw/zinc/52/97/59/411529759.db2.gz VEPRXJKNEJUIBS-MNOVXSKESA-N 0 1 238.331 2.284 20 0 BEADMN CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000121372076 170006516 /nfs/dbraw/zinc/00/65/16/170006516.db2.gz RYJVCAWRRALWSL-ZDUSSCGKSA-N 0 1 205.301 2.254 20 0 BEADMN COc1cc(CN2CCCC[C@H]2C)on1 ZINC000659828182 411466295 /nfs/dbraw/zinc/46/62/95/411466295.db2.gz AHVYPPAORWQPLK-SECBINFHSA-N 0 1 210.277 2.058 20 0 BEADMN CCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066851333 170031372 /nfs/dbraw/zinc/03/13/72/170031372.db2.gz FMLKNDRALPIKTC-AAEUAGOBSA-N 0 1 205.301 2.468 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000657506527 411540035 /nfs/dbraw/zinc/54/00/35/411540035.db2.gz LRXGVPOTDUAEED-LBPRGKRZSA-N 0 1 249.358 2.300 20 0 BEADMN CN(Cc1cc(C2CC2)no1)[C@@H]1CCSC1 ZINC000660128350 411542229 /nfs/dbraw/zinc/54/22/29/411542229.db2.gz LLHFATPEXKICAW-SNVBAGLBSA-N 0 1 238.356 2.489 20 0 BEADMN CCC[C@H]1CN([C@@H]2COC(C)(C)C2)CCO1 ZINC000660131929 411542982 /nfs/dbraw/zinc/54/29/82/411542982.db2.gz DAIZYXGEGKLKEN-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN c1c(CN[C@@H]2C[C@H]2C2CCC2)nnn1C1CCC1 ZINC000657496446 411535536 /nfs/dbraw/zinc/53/55/36/411535536.db2.gz SXCIUTIXTATWMJ-UONOGXRCSA-N 0 1 246.358 2.281 20 0 BEADMN CC[C@H](N[C@H]1CCn2ccnc21)[C@@H]1CCCCO1 ZINC000655847144 411535786 /nfs/dbraw/zinc/53/57/86/411535786.db2.gz RFZFWPAURXDDIT-AVGNSLFASA-N 0 1 249.358 2.265 20 0 BEADMN CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000036795349 170095248 /nfs/dbraw/zinc/09/52/48/170095248.db2.gz PEEZBCGWYCQJQG-UWVGGRQHSA-N 0 1 238.331 2.072 20 0 BEADMN CCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339243304 170097420 /nfs/dbraw/zinc/09/74/20/170097420.db2.gz YTVCJFWINFGKGJ-ZDUSSCGKSA-N 0 1 234.343 2.033 20 0 BEADMN C[C@H]1C[C@H](NCc2ccc(F)c(F)c2F)CO1 ZINC000657500491 411538141 /nfs/dbraw/zinc/53/81/41/411538141.db2.gz OPTFXTGQTNZDEW-CBAPKCEASA-N 0 1 245.244 2.371 20 0 BEADMN C[C@H]1[C@H](C)N(Cc2cc(C3CC3)no2)CCN1C ZINC000660167207 411550705 /nfs/dbraw/zinc/55/07/05/411550705.db2.gz CRDOASFAZGMVBZ-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN CCNCc1ncc(CSC)s1 ZINC000294280800 170132075 /nfs/dbraw/zinc/13/20/75/170132075.db2.gz VZZLRTHPPWZVBR-UHFFFAOYSA-N 0 1 202.348 2.116 20 0 BEADMN CCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000036916880 170142622 /nfs/dbraw/zinc/14/26/22/170142622.db2.gz JPZICYHBRCTGTK-VIFPVBQESA-N 0 1 248.305 2.385 20 0 BEADMN C[C@@H](CNCc1cscn1)c1ccccn1 ZINC000657534329 411545936 /nfs/dbraw/zinc/54/59/36/411545936.db2.gz WVOYNLDWTLBMHN-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN CCC[C@@H]1C(=O)NCCN1CCCC1CCC1 ZINC000660156751 411547934 /nfs/dbraw/zinc/54/79/34/411547934.db2.gz RGVXAWRLILBEKD-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1nc(CN2CC[C@@H](C3CC3)C2)co1 ZINC000660157172 411547998 /nfs/dbraw/zinc/54/79/98/411547998.db2.gz UAIZNYMVCGPAEN-LLVKDONJSA-N 0 1 206.289 2.215 20 0 BEADMN Cc1nc(CN2CC[C@H](C3CC3)C2)co1 ZINC000660157175 411548008 /nfs/dbraw/zinc/54/80/08/411548008.db2.gz UAIZNYMVCGPAEN-NSHDSACASA-N 0 1 206.289 2.215 20 0 BEADMN Cc1nc(CN2CC[C@H](C)[C@H](C)C2)co1 ZINC000660157731 411548561 /nfs/dbraw/zinc/54/85/61/411548561.db2.gz LKLMTZLMENOADW-VHSXEESVSA-N 0 1 208.305 2.461 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCCCCOC ZINC000116879545 170185927 /nfs/dbraw/zinc/18/59/27/170185927.db2.gz VDSXYXZVRNHVKP-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN CCOC(=O)CCCN(C)CCC(F)(F)F ZINC000102398004 170200276 /nfs/dbraw/zinc/20/02/76/170200276.db2.gz MEIWKCFVEMJTBS-UHFFFAOYSA-N 0 1 241.253 2.214 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1COC2(CCC2)C1 ZINC000657630095 411566407 /nfs/dbraw/zinc/56/64/07/411566407.db2.gz SWNDNJGCJIMKSC-NSHDSACASA-N 0 1 236.315 2.093 20 0 BEADMN CCOC(=O)CN([C@H](C)[C@@H](C)CC)C1CC1 ZINC000104966071 170216163 /nfs/dbraw/zinc/21/61/63/170216163.db2.gz NRVMEJFAKFHAPI-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CCOC(=O)CN1CCCCC(C)(C)C1 ZINC000342179893 170219036 /nfs/dbraw/zinc/21/90/36/170219036.db2.gz XYRKKBVTQIPSOB-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)(C)OCCCNCc1cscn1 ZINC000657637588 411567461 /nfs/dbraw/zinc/56/74/61/411567461.db2.gz JWTIVSUMIOOGHT-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN CC(C)=CCCN1CCO[C@@H](COC(C)C)C1 ZINC000660308931 411567494 /nfs/dbraw/zinc/56/74/94/411567494.db2.gz ZRRWFHFBRGRKEU-CQSZACIVSA-N 0 1 241.375 2.469 20 0 BEADMN OC/C=C\CNCc1ccccc1OCC1CC1 ZINC000657592902 411556952 /nfs/dbraw/zinc/55/69/52/411556952.db2.gz NQZZWSUSSBKFLM-ARJAWSKDSA-N 0 1 247.338 2.114 20 0 BEADMN CCOC(=O)[C@@H](C)N(CC)CCC1CC1 ZINC000355053663 170247689 /nfs/dbraw/zinc/24/76/89/170247689.db2.gz GCCHJQFPCCOJFA-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cn[nH]c1CN[C@H](C)c1cscn1 ZINC000657600321 411558682 /nfs/dbraw/zinc/55/86/82/411558682.db2.gz OHWAYVJMBHZOAU-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1ccncc1CCNCc1nccs1 ZINC000657588402 411558693 /nfs/dbraw/zinc/55/86/93/411558693.db2.gz PXJJZPLDOYIPNW-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CC(C)COc1ccccc1CNC/C=C\CO ZINC000657594776 411560557 /nfs/dbraw/zinc/56/05/57/411560557.db2.gz UPKFPNJEDQWJCM-WAYWQWQTSA-N 0 1 249.354 2.360 20 0 BEADMN C[C@H](NCc1c(F)cccc1F)C1(CO)CC1 ZINC000657602595 411561177 /nfs/dbraw/zinc/56/11/77/411561177.db2.gz KKAHJAUPKNGITP-VIFPVBQESA-N 0 1 241.281 2.215 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000043638761 170265849 /nfs/dbraw/zinc/26/58/49/170265849.db2.gz TVSJTYDBEDJYPT-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@H](C)N(CC)CCC1CC1 ZINC000355053661 170266364 /nfs/dbraw/zinc/26/63/64/170266364.db2.gz GCCHJQFPCCOJFA-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357030920 170266959 /nfs/dbraw/zinc/26/69/59/170266959.db2.gz YHIUNSNITVKIGN-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1C[C@@H](C)[C@H]1C ZINC000339571822 170270694 /nfs/dbraw/zinc/27/06/94/170270694.db2.gz NZEAHWWFPDKERI-UTUOFQBUSA-N 0 1 227.348 2.304 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2ncc(C)o2)n[nH]1 ZINC000660268115 411562305 /nfs/dbraw/zinc/56/23/05/411562305.db2.gz DCIOYDAFRSJHNL-IUCAKERBSA-N 0 1 249.318 2.075 20 0 BEADMN CCOC(=O)c1cc(CN2CCCC2)[nH]c1C ZINC000294547325 170291634 /nfs/dbraw/zinc/29/16/34/170291634.db2.gz JYHIZVKPLBOUII-UHFFFAOYSA-N 0 1 236.315 2.096 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@@H]2CC)o1 ZINC000292461775 170295599 /nfs/dbraw/zinc/29/55/99/170295599.db2.gz QKSZTWGTXGGNCD-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC[C@@H]2C)o1 ZINC000124390269 170295651 /nfs/dbraw/zinc/29/56/51/170295651.db2.gz PCNSMGALTQJLLZ-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN CO[C@@H](C)CNCc1ncccc1C(F)(F)F ZINC000657620431 411565653 /nfs/dbraw/zinc/56/56/53/411565653.db2.gz HEBMINAWNSITPS-QMMMGPOBSA-N 0 1 248.248 2.225 20 0 BEADMN CCOC(=O)c1coc(CN2CCCC2)c1 ZINC000353380967 170304857 /nfs/dbraw/zinc/30/48/57/170304857.db2.gz MJKPTFKMIMMDLW-UHFFFAOYSA-N 0 1 223.272 2.052 20 0 BEADMN CCOC(=O)c1csc([C@@H]2CCCCN2)n1 ZINC000075869195 170305918 /nfs/dbraw/zinc/30/59/18/170305918.db2.gz VXDFJENZUZPYPV-QMMMGPOBSA-N 0 1 240.328 2.134 20 0 BEADMN Cc1nc(CN2[C@@H](C)CC(O)C[C@@H]2C)c(C)o1 ZINC000660367733 411572983 /nfs/dbraw/zinc/57/29/83/411572983.db2.gz MTMWCUFKLSYQKA-IUCAKERBSA-N 0 1 238.331 2.025 20 0 BEADMN CC[C@H](CN[C@H](C)c1ncn(C)n1)CC(F)F ZINC000660370441 411573877 /nfs/dbraw/zinc/57/38/77/411573877.db2.gz CVQYZWNLHCQSRE-BDAKNGLRSA-N 0 1 246.305 2.147 20 0 BEADMN CCOC1CC(N(C)Cc2cncs2)C1 ZINC000290577412 170328656 /nfs/dbraw/zinc/32/86/56/170328656.db2.gz UGDSAOJEYYEVBZ-UHFFFAOYSA-N 0 1 226.345 2.142 20 0 BEADMN CCOC1CC(NCc2ncc(CC)s2)C1 ZINC000224407703 170329578 /nfs/dbraw/zinc/32/95/78/170329578.db2.gz MFXSDUZUCABHTG-UHFFFAOYSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@]1(CNCc2cscn2)CC1(F)F ZINC000657670940 411575304 /nfs/dbraw/zinc/57/53/04/411575304.db2.gz YAJPIKWDFCLCAJ-MRVPVSSYSA-N 0 1 218.272 2.278 20 0 BEADMN CCOCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000287057399 170348277 /nfs/dbraw/zinc/34/82/77/170348277.db2.gz UQKZUOPUWFANSY-UHFFFAOYSA-N 0 1 247.653 2.160 20 0 BEADMN CCOCCCCN[C@H](C)c1cc(C)on1 ZINC000284177787 170369588 /nfs/dbraw/zinc/36/95/88/170369588.db2.gz QVBHOSQAPXJCKS-LLVKDONJSA-N 0 1 226.320 2.450 20 0 BEADMN CCOCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000339386989 170385896 /nfs/dbraw/zinc/38/58/96/170385896.db2.gz ZKXVLFFZWUPDFM-JTQLQIEISA-N 0 1 241.335 2.085 20 0 BEADMN c1cc(CCNCc2cc3n(n2)CCCC3)co1 ZINC000657653325 411570183 /nfs/dbraw/zinc/57/01/83/411570183.db2.gz JIOHLVFIMCGQSA-UHFFFAOYSA-N 0 1 245.326 2.145 20 0 BEADMN CCOCCN(C)Cc1cnc2cccc(C)n12 ZINC000354778864 170389963 /nfs/dbraw/zinc/38/99/63/170389963.db2.gz FMLDTTMPIFGVLP-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000663317402 411623229 /nfs/dbraw/zinc/62/32/29/411623229.db2.gz NEZGISFGWMKNRU-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN CC12CC(C1)C[N@H+]2CCc1ccccc1C(=O)[O-] ZINC000663316491 411623301 /nfs/dbraw/zinc/62/33/01/411623301.db2.gz YELVCIYUHONCIZ-UHFFFAOYSA-N 0 1 245.322 2.412 20 0 BEADMN CCOCCN(CC)Cc1cnc(C)s1 ZINC000107679449 170396162 /nfs/dbraw/zinc/39/61/62/170396162.db2.gz JUFZIHOYZBQYIQ-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN Cc1nc(CNC[C@H]2CCC[C@H](C)O2)cs1 ZINC000657665043 411577286 /nfs/dbraw/zinc/57/72/86/411577286.db2.gz NNEVNZOTGUEQCE-JOYOIKCWSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)CCOC2 ZINC000657682421 411578720 /nfs/dbraw/zinc/57/87/20/411578720.db2.gz YQZWSBQBMHRVEZ-UHFFFAOYSA-N 0 1 243.310 2.403 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1cc(C2CC2)no1 ZINC000660419300 411582569 /nfs/dbraw/zinc/58/25/69/411582569.db2.gz UYBJXTKONXEJMM-LBPRGKRZSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1ccncc1CN(C)[C@H]1COC(C)(C)C1 ZINC000660453719 411587057 /nfs/dbraw/zinc/58/70/57/411587057.db2.gz UHUFLAJHGVSCDJ-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN CC(C)n1cc(CN[C@@]2(C)CC2(C)C)nn1 ZINC000657762156 411591547 /nfs/dbraw/zinc/59/15/47/411591547.db2.gz WSIYNFPMTXADGA-LBPRGKRZSA-N 0 1 222.336 2.137 20 0 BEADMN CC(C)n1cc(CN[C@]2(C)CC2(C)C)nn1 ZINC000657762155 411591758 /nfs/dbraw/zinc/59/17/58/411591758.db2.gz WSIYNFPMTXADGA-GFCCVEGCSA-N 0 1 222.336 2.137 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cnc(C2CC2)s1 ZINC000657787846 411595911 /nfs/dbraw/zinc/59/59/11/411595911.db2.gz AQLUQLYFTUINFQ-PWSUYJOCSA-N 0 1 238.356 2.288 20 0 BEADMN COc1cc(C)ccc1CN[C@@H]1C[C@]1(C)OC ZINC000657790961 411597714 /nfs/dbraw/zinc/59/77/14/411597714.db2.gz YAZYYKRENHBYGA-KGLIPLIRSA-N 0 1 235.327 2.271 20 0 BEADMN CC1(C)CC(NCc2cn(C3CCC3)nn2)C1 ZINC000657801877 411599364 /nfs/dbraw/zinc/59/93/64/411599364.db2.gz LACHNBSFXIFTRO-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN O[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000657809324 411601456 /nfs/dbraw/zinc/60/14/56/411601456.db2.gz HYUPVVKVKIBFHX-MGCOHNPYSA-N 0 1 229.682 2.092 20 0 BEADMN FC(F)(F)[C@H]1CCN1CCN1CCCCC1 ZINC000660569122 411601962 /nfs/dbraw/zinc/60/19/62/411601962.db2.gz CANOLTGHSHEHMB-SNVBAGLBSA-N 0 1 236.281 2.109 20 0 BEADMN C[C@H](N[C@H]1CCCn2nccc21)c1cccnc1 ZINC000657825108 411607919 /nfs/dbraw/zinc/60/79/19/411607919.db2.gz MBGLHCDDKHEJPA-AAEUAGOBSA-N 0 1 242.326 2.464 20 0 BEADMN COCC(C)(C)N(C)Cc1cc(C2CC2)no1 ZINC000660615508 411608006 /nfs/dbraw/zinc/60/80/06/411608006.db2.gz ULRYLEFSNZAXFF-UHFFFAOYSA-N 0 1 238.331 2.409 20 0 BEADMN CCn1cnnc1CN[C@@H](C)C(C)(C)C(F)F ZINC000657838003 411610005 /nfs/dbraw/zinc/61/00/05/411610005.db2.gz MCDCFWBWPQCBFO-QMMMGPOBSA-N 0 1 246.305 2.067 20 0 BEADMN Cc1ccccc1CCN(C)Cc1cn(C)cn1 ZINC000660648212 411612800 /nfs/dbraw/zinc/61/28/00/411612800.db2.gz OOKGVXKISBVLPO-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN CC1(C)OCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660669655 411615924 /nfs/dbraw/zinc/61/59/24/411615924.db2.gz PAIQJEYMEVJZPB-GFCCVEGCSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCC2CC2)n1 ZINC000660746359 411620581 /nfs/dbraw/zinc/62/05/81/411620581.db2.gz LPNYSZSZRBCACW-UHFFFAOYSA-N 0 1 235.331 2.115 20 0 BEADMN CCNC(=O)CNCc1cccc(C(C)C)c1 ZINC000663313821 411622211 /nfs/dbraw/zinc/62/22/11/411622211.db2.gz TWYMDUPNOHRBLV-UHFFFAOYSA-N 0 1 234.343 2.036 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC1 ZINC000663317280 411622790 /nfs/dbraw/zinc/62/27/90/411622790.db2.gz LFXAWSWXARAJKQ-WISYIIOYSA-N 0 1 237.343 2.360 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1(C(=O)[O-])CCCC1 ZINC000663316808 411622886 /nfs/dbraw/zinc/62/28/86/411622886.db2.gz HJXPGUMHCKARKV-ZSBIGDGJSA-N 0 1 237.343 2.362 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000663317109 411622908 /nfs/dbraw/zinc/62/29/08/411622908.db2.gz KZVQLQIGXZKLNO-NSHDSACASA-N 0 1 248.326 2.258 20 0 BEADMN CN(CCCF)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660763705 411623025 /nfs/dbraw/zinc/62/30/25/411623025.db2.gz KJTTZAFMFXWBFG-GFCCVEGCSA-N 0 1 248.305 2.186 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])co1)C[C@@H]1CC1(C)C ZINC000663316096 411623068 /nfs/dbraw/zinc/62/30/68/411623068.db2.gz BARWQTUGYGDXAX-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN CCc1nnc(CN(CC)[C@H](C)CC)o1 ZINC000661104740 411708824 /nfs/dbraw/zinc/70/88/24/411708824.db2.gz BCIYZYLKCPLRAF-SECBINFHSA-N 0 1 211.309 2.252 20 0 BEADMN C[N@@H+](Cc1n[n-]c(=O)o1)[C@@H]1C=CCCCCC1 ZINC000660843059 411654906 /nfs/dbraw/zinc/65/49/06/411654906.db2.gz SZHNSFROINDHIB-SNVBAGLBSA-N 0 1 237.303 2.096 20 0 BEADMN CCCC[C@H](CC)C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660845198 411656982 /nfs/dbraw/zinc/65/69/82/411656982.db2.gz KTTSYBMCBKHPHA-JTQLQIEISA-N 0 1 241.335 2.423 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1nc(C)oc1C ZINC000660911709 411668162 /nfs/dbraw/zinc/66/81/62/411668162.db2.gz IVIUDHOIBSFHLY-RNCFNFMXSA-N 0 1 240.347 2.178 20 0 BEADMN CCc1nocc1CN(CC)[C@@H]1CCCOC1 ZINC000660917961 411671645 /nfs/dbraw/zinc/67/16/45/411671645.db2.gz PXZUSBUKMRRRNO-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN COc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000071396672 411676365 /nfs/dbraw/zinc/67/63/65/411676365.db2.gz FFXJVUPUFYOCJW-NSHDSACASA-N 0 1 245.282 2.170 20 0 BEADMN Cc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000071396677 411677069 /nfs/dbraw/zinc/67/70/69/411677069.db2.gz HCMPUBIBKZIEHO-LLVKDONJSA-N 0 1 229.283 2.470 20 0 BEADMN CC[C@@H](NCc1coc(C)n1)[C@H]1CCCCO1 ZINC000660926832 411677519 /nfs/dbraw/zinc/67/75/19/411677519.db2.gz SYGNXVGLPJYCRR-CHWSQXEVSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1noc([C@H](C)N(C)C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660926702 411677686 /nfs/dbraw/zinc/67/76/86/411677686.db2.gz QWNRTRYGSQIPTR-IXLVHKGHSA-N 0 1 235.331 2.417 20 0 BEADMN Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000071396676 411678130 /nfs/dbraw/zinc/67/81/30/411678130.db2.gz HCMPUBIBKZIEHO-NSHDSACASA-N 0 1 229.283 2.470 20 0 BEADMN COc1ccc(CCN(C)Cc2c[nH]cn2)cc1 ZINC000661085553 411696311 /nfs/dbraw/zinc/69/63/11/411696311.db2.gz MGEAWZQTBYZEMT-UHFFFAOYSA-N 0 1 245.326 2.093 20 0 BEADMN CN(CCC1CCCC1)Cc1c[nH]cn1 ZINC000661085840 411697560 /nfs/dbraw/zinc/69/75/60/411697560.db2.gz RDBGEJRJGWHYEI-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CC(C)c1noc([C@H](C)N(C)Cc2cnc[nH]2)n1 ZINC000661086839 411698725 /nfs/dbraw/zinc/69/87/25/411698725.db2.gz JNVSYOINKSQTQV-VIFPVBQESA-N 0 1 249.318 2.109 20 0 BEADMN CN(CCCC1CCOCC1)Cc1c[nH]cn1 ZINC000661089852 411701969 /nfs/dbraw/zinc/70/19/69/411701969.db2.gz HEBFTYLHWCQVII-UHFFFAOYSA-N 0 1 237.347 2.048 20 0 BEADMN COCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661511863 411794230 /nfs/dbraw/zinc/79/42/30/411794230.db2.gz JKOSNLBXEFGJKV-GFCCVEGCSA-N 0 1 209.264 2.219 20 0 BEADMN CCS(=O)(=O)C[C@@H](C)N(C)CCC(C)(C)C ZINC000113001410 170609982 /nfs/dbraw/zinc/60/99/82/170609982.db2.gz CQVAVCBLPBFAMP-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN C[C@H](O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000661509998 411792652 /nfs/dbraw/zinc/79/26/52/411792652.db2.gz SAZZDZQNORLORJ-GWCFXTLKSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCOC1CCC1 ZINC000661463377 411779479 /nfs/dbraw/zinc/77/94/79/411779479.db2.gz PONFWUZOUJJTLN-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN COC(C)(C)CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470641 411782909 /nfs/dbraw/zinc/78/29/09/411782909.db2.gz UTCPEWBHWUJXRA-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1COC2(CCC2)C[N@H+]1CCOC(C)(C)C ZINC000661470366 411783292 /nfs/dbraw/zinc/78/32/92/411783292.db2.gz SGASDQRNGOULGH-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCOC(C)(C)C ZINC000661470366 411783295 /nfs/dbraw/zinc/78/32/95/411783295.db2.gz SGASDQRNGOULGH-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1COC2(CCC2)C[N@H+]1CCOC(C)(C)C ZINC000661470367 411784060 /nfs/dbraw/zinc/78/40/60/411784060.db2.gz SGASDQRNGOULGH-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCOC(C)(C)C ZINC000661470367 411784063 /nfs/dbraw/zinc/78/40/63/411784063.db2.gz SGASDQRNGOULGH-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN Cn1ncnc1CN1CC[C@H](C2CCCCC2)C1 ZINC000661578239 411807726 /nfs/dbraw/zinc/80/77/26/411807726.db2.gz KDNQCHLOFUWXFT-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1ncc(CN2CCC[C@H](CCF)C2)cn1 ZINC000661688868 411840156 /nfs/dbraw/zinc/84/01/56/411840156.db2.gz JMFJTFRQHQYISW-GFCCVEGCSA-N 0 1 237.322 2.357 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccsc1 ZINC000058123033 170746165 /nfs/dbraw/zinc/74/61/65/170746165.db2.gz MBTFLTVBUFSXMS-ZJUUUORDSA-N 0 1 240.372 2.141 20 0 BEADMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000661707361 411851114 /nfs/dbraw/zinc/85/11/14/411851114.db2.gz KMDANRBKESVEFN-RISCZKNCSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@]12COC[C@H]1CN(Cc1cc(C3CC3)no1)C2 ZINC000661707361 411851118 /nfs/dbraw/zinc/85/11/18/411851118.db2.gz KMDANRBKESVEFN-RISCZKNCSA-N 0 1 248.326 2.020 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000661719990 411855899 /nfs/dbraw/zinc/85/58/99/411855899.db2.gz FUGPWAUJALVPIB-GXTWGEPZSA-N 0 1 235.302 2.091 20 0 BEADMN CCOCCN1CCc2cc(OC)ccc2C1 ZINC000661738012 411860906 /nfs/dbraw/zinc/86/09/06/411860906.db2.gz ODNFXXSZXHRECF-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CC12CCC2 ZINC000680600051 487621059 /nfs/dbraw/zinc/62/10/59/487621059.db2.gz ZRSQFONXKNXPQS-SECBINFHSA-N 0 1 246.314 2.201 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CC12CCC2 ZINC000680600051 487621063 /nfs/dbraw/zinc/62/10/63/487621063.db2.gz ZRSQFONXKNXPQS-SECBINFHSA-N 0 1 246.314 2.201 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1cnccc1N(C)C ZINC000183452718 170771837 /nfs/dbraw/zinc/77/18/37/170771837.db2.gz QIYZNTDIGQKMHU-GHMZBOCLSA-N 0 1 249.358 2.312 20 0 BEADMN Cc1ccnc(NCCO[C@H]2CC2(F)F)c1 ZINC000664309639 411917377 /nfs/dbraw/zinc/91/73/77/411917377.db2.gz OAEXWPBEIRUHFX-VIFPVBQESA-N 0 1 228.242 2.226 20 0 BEADMN Cc1nc(CN2CC[C@H]3C[C@H]3C2)c(C)o1 ZINC000661966544 411923665 /nfs/dbraw/zinc/92/36/65/411923665.db2.gz JNDALRUHUOUBPE-QWRGUYRKSA-N 0 1 206.289 2.133 20 0 BEADMN Cc1cccc(NC(=O)N(C)CC2CN(C)C2)c1 ZINC000664363955 411930927 /nfs/dbraw/zinc/93/09/27/411930927.db2.gz WDTQGOKUPQJGBF-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN CC[C@@H](NCc1nnc(C(C)C)o1)C1CC1 ZINC000661757486 411868958 /nfs/dbraw/zinc/86/89/58/411868958.db2.gz FDRYJYASIVNTNC-SNVBAGLBSA-N 0 1 223.320 2.471 20 0 BEADMN CC[C@H]([NH2+]Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000661760902 411871948 /nfs/dbraw/zinc/87/19/48/411871948.db2.gz AUMXPVQLNIMRFJ-LBPRGKRZSA-N 0 1 247.342 2.338 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccncc1Cl ZINC000661764408 411873507 /nfs/dbraw/zinc/87/35/07/411873507.db2.gz DHXCQNJWINWCFH-JOYOIKCWSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000661772942 411882621 /nfs/dbraw/zinc/88/26/21/411882621.db2.gz NQFRYROWXGSGCS-GXFFZTMASA-N 0 1 223.291 2.171 20 0 BEADMN CCc1nnc(CNC2(CC(C)C)CC2)[nH]1 ZINC000662067801 411969519 /nfs/dbraw/zinc/96/95/19/411969519.db2.gz CMWBWOFLCCTXLY-UHFFFAOYSA-N 0 1 222.336 2.035 20 0 BEADMN CCC(CC)CCCN(C)Cc1c[nH]nn1 ZINC000662039500 411954746 /nfs/dbraw/zinc/95/47/46/411954746.db2.gz WGVBEMDVBMCHSW-UHFFFAOYSA-N 0 1 224.352 2.453 20 0 BEADMN Cc1nnc([C@H](C)N2CCC3(CCC3)CC2)[nH]1 ZINC000664445613 411959951 /nfs/dbraw/zinc/95/99/51/411959951.db2.gz NYIDGKHHSGDNKB-JTQLQIEISA-N 0 1 234.347 2.440 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662213337 412027370 /nfs/dbraw/zinc/02/73/70/412027370.db2.gz ZVAYPPRZCMYKOB-YPMHNXCESA-N 0 1 233.311 2.339 20 0 BEADMN COCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823901 412027509 /nfs/dbraw/zinc/02/75/09/412027509.db2.gz QVIXTDMSAVECJI-LBPRGKRZSA-N 0 1 220.316 2.111 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC=CC1 ZINC000662213496 412027920 /nfs/dbraw/zinc/02/79/20/412027920.db2.gz ZDLVGKWZLUNGPO-ZYHUDNBSSA-N 0 1 223.316 2.138 20 0 BEADMN CC1(C)CN(CCCCO)[C@H]1c1ccncc1 ZINC000664834833 412028786 /nfs/dbraw/zinc/02/87/86/412028786.db2.gz WHIPVHMDIOZTBL-ZDUSSCGKSA-N 0 1 234.343 2.237 20 0 BEADMN O=C([O-])C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662218528 412029123 /nfs/dbraw/zinc/02/91/23/412029123.db2.gz WZYZEUNXTXZUEB-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN CC[N@@H+](Cc1cc(F)ccc1F)[C@H](C)C(=O)[O-] ZINC000662216014 412029273 /nfs/dbraw/zinc/02/92/73/412029273.db2.gz MNPDZCYOFTUIRE-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN CC[N@@H+](Cc1cc(F)cc(F)c1)[C@H](C)C(=O)[O-] ZINC000662217111 412029850 /nfs/dbraw/zinc/02/98/50/412029850.db2.gz TXTAWZJESUKJJJ-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN CC[N@@H+](Cc1cc(F)cc(F)c1)[C@@H](C)C(=O)[O-] ZINC000662217113 412029874 /nfs/dbraw/zinc/02/98/74/412029874.db2.gz TXTAWZJESUKJJJ-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN COC[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664832736 412029932 /nfs/dbraw/zinc/02/99/32/412029932.db2.gz HWKHQCMQGCSTFY-DGCLKSJQSA-N 0 1 234.343 2.499 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662223265 412030692 /nfs/dbraw/zinc/03/06/92/412030692.db2.gz JWBKGJQCNRJQTC-ZSBIGDGJSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC1CC=CC1 ZINC000662223040 412030707 /nfs/dbraw/zinc/03/07/07/412030707.db2.gz IONJXHYKYXEYDM-UHFFFAOYSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000159606308 171006719 /nfs/dbraw/zinc/00/67/19/171006719.db2.gz GYMLOCFROUBQTC-IUODEOHRSA-N 0 1 246.354 2.119 20 0 BEADMN CC[C@@H]1CCN1Cc1ccnn1C(C)C ZINC000292400623 171024740 /nfs/dbraw/zinc/02/47/40/171024740.db2.gz LGKGVIJZXZTWAN-LLVKDONJSA-N 0 1 207.321 2.448 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCC(F)(F)CO ZINC000336745229 171033002 /nfs/dbraw/zinc/03/30/02/171033002.db2.gz VLAHINTXYOTNFZ-MXWKQRLJSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@H]1NCC(F)(F)CO ZINC000336745228 171050497 /nfs/dbraw/zinc/05/04/97/171050497.db2.gz VLAHINTXYOTNFZ-HBNTYKKESA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H]1CN(CCSC(C)C)CCO1 ZINC000336688996 171083984 /nfs/dbraw/zinc/08/39/84/171083984.db2.gz OACDSNHIIFBBJT-LLVKDONJSA-N 0 1 217.378 2.239 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCOCC(C)C ZINC000337321757 171110608 /nfs/dbraw/zinc/11/06/08/171110608.db2.gz COFQPMWOLLAZHU-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccncc1C ZINC000294628054 171113699 /nfs/dbraw/zinc/11/36/99/171113699.db2.gz ZXWKNRJJXFKDFZ-TZMCWYRMSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000356928655 171129966 /nfs/dbraw/zinc/12/99/66/171129966.db2.gz VFWJOJHXKSZDBL-XJFOESAGSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000281764323 171133728 /nfs/dbraw/zinc/13/37/28/171133728.db2.gz JAFZCDOZSIKYIT-BXKDBHETSA-N 0 1 243.310 2.020 20 0 BEADMN CC[C@@H]1C[C@H]1N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000280690815 171142702 /nfs/dbraw/zinc/14/27/02/171142702.db2.gz ROCQLSQRMPIWDH-MRVWCRGKSA-N 0 1 246.354 2.204 20 0 BEADMN CC[C@@](C)(O)CN[C@H](C)c1csc(C)n1 ZINC000083462012 171186198 /nfs/dbraw/zinc/18/61/98/171186198.db2.gz ZZQDWMJLPGIFNM-LDYMZIIASA-N 0 1 228.361 2.263 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2ncc[nH]2)C1 ZINC000173777175 171198813 /nfs/dbraw/zinc/19/88/13/171198813.db2.gz GGMDPXLLUCTZJE-LBPRGKRZSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@H](C(=O)N1C[C@@H](C)c2ccccc21)N(C)C ZINC000124821348 171225905 /nfs/dbraw/zinc/22/59/05/171225905.db2.gz QTCHVIXOAYZYSN-DGCLKSJQSA-N 0 1 246.354 2.477 20 0 BEADMN CC[C@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000337336648 171228459 /nfs/dbraw/zinc/22/84/59/171228459.db2.gz NLOZHJSQSQXXNL-AWEZNQCLSA-N 0 1 246.354 2.002 20 0 BEADMN CC[C@H](C(=O)Nc1ccsc1)N(C)C ZINC000125256186 171234770 /nfs/dbraw/zinc/23/47/70/171234770.db2.gz NFMOYGBRDJUVTE-SECBINFHSA-N 0 1 212.318 2.027 20 0 BEADMN CC[C@H](C(=O)Nc1sc(C)nc1C)N(C)C ZINC000268880393 171234795 /nfs/dbraw/zinc/23/47/95/171234795.db2.gz MQXXKCXUKQJQMJ-SECBINFHSA-N 0 1 241.360 2.039 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000042493562 171236534 /nfs/dbraw/zinc/23/65/34/171236534.db2.gz BRLKMIAHHJWEBZ-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](CC)CCc1ccccc1 ZINC000191408991 171236554 /nfs/dbraw/zinc/23/65/54/171236554.db2.gz NNJMCKNPBJDQCV-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)s1 ZINC000083414672 171236753 /nfs/dbraw/zinc/23/67/53/171236753.db2.gz PZWHHOSUPPLKHL-SNVBAGLBSA-N 0 1 227.329 2.352 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C)(C)CC1 ZINC000339297530 171241047 /nfs/dbraw/zinc/24/10/47/171241047.db2.gz VCTXUDQGRQQRJJ-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H](C(N)=O)N1Cc2ccccc2C(C)(C)C1 ZINC000270342364 171245238 /nfs/dbraw/zinc/24/52/38/171245238.db2.gz FDZFYVARBWHMME-CYBMUJFWSA-N 0 1 246.354 2.044 20 0 BEADMN CC[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270800425 171253545 /nfs/dbraw/zinc/25/35/45/171253545.db2.gz WJJPQHJTMLNGJJ-DTWKUNHWSA-N 0 1 238.335 2.151 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000359888489 171261253 /nfs/dbraw/zinc/26/12/53/171261253.db2.gz TWEILCLDBLZAII-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358711432 171265917 /nfs/dbraw/zinc/26/59/17/171265917.db2.gz HDALOTCETXDNJD-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358711430 171266094 /nfs/dbraw/zinc/26/60/94/171266094.db2.gz HDALOTCETXDNJD-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN1CCOC[C@@H]1CC(F)F ZINC000353268875 171281397 /nfs/dbraw/zinc/28/13/97/171281397.db2.gz SQTGPBULQFJDKK-UWVGGRQHSA-N 0 1 221.291 2.389 20 0 BEADMN CC[C@H](C)CN1CCn2cc(C)nc2C1 ZINC000374709408 171282645 /nfs/dbraw/zinc/28/26/45/171282645.db2.gz IJJDTVIXGRSZRM-JTQLQIEISA-N 0 1 207.321 2.053 20 0 BEADMN CC[C@H](C)CNc1cnccc1-n1ccnn1 ZINC000290109866 171289417 /nfs/dbraw/zinc/28/94/17/171289417.db2.gz KYRZKEZRMQBZQD-JTQLQIEISA-N 0 1 231.303 2.120 20 0 BEADMN CC[C@H](C)CONC(=O)c1ccc(F)cc1O ZINC000293611095 171290034 /nfs/dbraw/zinc/29/00/34/171290034.db2.gz DBRSHCOVSJLJGH-QMMMGPOBSA-N 0 1 241.262 2.239 20 0 BEADMN CC[C@H](C)CONC(=O)c1c(O)cccc1F ZINC000293879408 171290264 /nfs/dbraw/zinc/29/02/64/171290264.db2.gz YYQWSENSHIVXKO-QMMMGPOBSA-N 0 1 241.262 2.239 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000268015127 171294658 /nfs/dbraw/zinc/29/46/58/171294658.db2.gz AUOYYEIPLZLSDO-VHSXEESVSA-N 0 1 237.347 2.202 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000361842379 171294702 /nfs/dbraw/zinc/29/47/02/171294702.db2.gz IXHXYEYWVOIKJY-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000361842379 171294703 /nfs/dbraw/zinc/29/47/03/171294703.db2.gz IXHXYEYWVOIKJY-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000266411141 171295744 /nfs/dbraw/zinc/29/57/44/171295744.db2.gz ZZEKVUPOHKLAAA-VHSXEESVSA-N 0 1 249.358 2.453 20 0 BEADMN CC[C@H](C)N(C)CC(=O)N(C)c1ccccc1 ZINC000102705232 171304826 /nfs/dbraw/zinc/30/48/26/171304826.db2.gz NAUAHKCUPVESQX-LBPRGKRZSA-N 0 1 234.343 2.380 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(C)(C)OC)CC(=O)OC ZINC000337266122 171312362 /nfs/dbraw/zinc/31/23/62/171312362.db2.gz ZBMSMWSERSIRLJ-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H](C)N(CCC(C)(C)OC)CC(=O)OC ZINC000337266122 171312363 /nfs/dbraw/zinc/31/23/63/171312363.db2.gz ZBMSMWSERSIRLJ-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H](C)N(Cc1ccccc1)C(=O)CN(C)C ZINC000298724080 171315147 /nfs/dbraw/zinc/31/51/47/171315147.db2.gz SGCPFEYOIOJVAD-ZDUSSCGKSA-N 0 1 248.370 2.375 20 0 BEADMN CC[C@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010446 171320435 /nfs/dbraw/zinc/32/04/35/171320435.db2.gz YAZKQYJLOOWQIF-VIFPVBQESA-N 0 1 219.284 2.499 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361570424 171323333 /nfs/dbraw/zinc/32/33/33/171323333.db2.gz CDZBOGRHIJFVIF-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccco1 ZINC000038013712 171323802 /nfs/dbraw/zinc/32/38/02/171323802.db2.gz FESKAXZELUUSED-WDEREUQCSA-N 0 1 238.331 2.235 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000035206467 171334865 /nfs/dbraw/zinc/33/48/65/171334865.db2.gz IOEJHQFTEMCYEB-SRVKXCTJSA-N 0 1 249.358 2.035 20 0 BEADMN CC[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000070286965 171338529 /nfs/dbraw/zinc/33/85/29/171338529.db2.gz CUXMEYANNKNRDP-QMMMGPOBSA-N 0 1 217.272 2.091 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(CC)C[C@H]1C ZINC000341794791 171359248 /nfs/dbraw/zinc/35/92/48/171359248.db2.gz CWHQRBYYGFSXMC-YNEHKIRRSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000330940862 171361579 /nfs/dbraw/zinc/36/15/79/171361579.db2.gz CQEORQFWNAJBSE-VHSXEESVSA-N 0 1 237.347 2.238 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@H](C)c1cnccn1)OC ZINC000294081502 171368279 /nfs/dbraw/zinc/36/82/79/171368279.db2.gz AGBMRPBJJFAHKM-DMDPSCGWSA-N 0 1 237.347 2.188 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000336588929 171383525 /nfs/dbraw/zinc/38/35/25/171383525.db2.gz STHLYCSUFDMCMN-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358745514 171384000 /nfs/dbraw/zinc/38/40/00/171384000.db2.gz XVPFTZVIKQAOQD-CYDGBPFRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000356760762 171384124 /nfs/dbraw/zinc/38/41/24/171384124.db2.gz FDHBMGSNTZKNQD-CYDGBPFRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H](N)c1ccccc1 ZINC000042558520 171387150 /nfs/dbraw/zinc/38/71/50/171387150.db2.gz VLFMBXRNQRBIRH-GMXVVIOVSA-N 0 1 234.343 2.237 20 0 BEADMN CC[C@H](C)[C@H](CN[C@@H](C)c1cnccn1)OC ZINC000294081506 171393393 /nfs/dbraw/zinc/39/33/93/171393393.db2.gz AGBMRPBJJFAHKM-GVXVVHGQSA-N 0 1 237.347 2.188 20 0 BEADMN COCC1(NCc2ccon2)CCCCC1 ZINC000662342012 412110258 /nfs/dbraw/zinc/11/02/58/412110258.db2.gz UKUFFHVZMXSLTC-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)[C@@H]1C ZINC000665166466 412116873 /nfs/dbraw/zinc/11/68/73/412116873.db2.gz ZRWXENWREBQJNZ-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1noc([C@H](C)N(C)C[C@H]2CC2(C)C)n1 ZINC000662348885 412119271 /nfs/dbraw/zinc/11/92/71/412119271.db2.gz XOZUUCJSRHKBDH-WCBMZHEXSA-N 0 1 223.320 2.417 20 0 BEADMN C[C@H]1CN(CC2CC2)C[C@](C)(C(F)F)O1 ZINC000662366465 412125682 /nfs/dbraw/zinc/12/56/82/412125682.db2.gz OZVSQTGCEYJZCG-GZMMTYOYSA-N 0 1 219.275 2.141 20 0 BEADMN CC(C)CCN1CCO[C@@](C)(C(F)F)C1 ZINC000662370662 412128446 /nfs/dbraw/zinc/12/84/46/412128446.db2.gz GLCICDLQEXQOGR-LLVKDONJSA-N 0 1 221.291 2.389 20 0 BEADMN CN(C)Cc1cc(-c2ncc[nH]2)ccc1F ZINC000665199620 412131678 /nfs/dbraw/zinc/13/16/78/412131678.db2.gz PPQYFXROVDLCMC-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN CN(C)Cc1cc(-c2ccn(C)n2)ccc1F ZINC000665199491 412132948 /nfs/dbraw/zinc/13/29/48/412132948.db2.gz KOJKVWOLDQFHRO-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN Cc1ccccc1CN(C)C(=O)C1(N(C)C)CC1 ZINC000665258543 412201911 /nfs/dbraw/zinc/20/19/11/412201911.db2.gz CZBJOTYJVFPAKX-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccccc2)no1 ZINC000044625809 171514373 /nfs/dbraw/zinc/51/43/73/171514373.db2.gz MWYFGXIMEFUPAS-JTQLQIEISA-N 0 1 217.272 2.407 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000662419249 412161501 /nfs/dbraw/zinc/16/15/01/412161501.db2.gz XCIAAECTSCYUJO-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN COCC(C)(C)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351109 412280438 /nfs/dbraw/zinc/28/04/38/412280438.db2.gz QNVSXLXLUFWBNS-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351122 412280827 /nfs/dbraw/zinc/28/08/27/412280827.db2.gz QUDMAAFBOOVQGX-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(F)cc1C)N(C)C ZINC000268713440 487622647 /nfs/dbraw/zinc/62/26/47/487622647.db2.gz FDDRUAFZRAMTNP-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000662853903 412324826 /nfs/dbraw/zinc/32/48/26/412324826.db2.gz JYIXVWDXZWWIAK-WFASDCNBSA-N 0 1 248.370 2.413 20 0 BEADMN Cc1cccc(N2CCC[C@H](CCC(=O)[O-])C2)[nH+]1 ZINC000662887642 412335846 /nfs/dbraw/zinc/33/58/46/412335846.db2.gz LWBRXJWIGGTQBG-GFCCVEGCSA-N 0 1 248.326 2.471 20 0 BEADMN CC[C@](C)(CCO)NCc1csc(C)n1 ZINC000166039229 171692026 /nfs/dbraw/zinc/69/20/26/171692026.db2.gz LDIDWVDUOHHXJZ-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000173512062 171712600 /nfs/dbraw/zinc/71/26/00/171712600.db2.gz GESRKLCCGUMGFL-CYBMUJFWSA-N 0 1 235.331 2.370 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)[C@H](N)c1ccccc1 ZINC000662991501 412364850 /nfs/dbraw/zinc/36/48/50/412364850.db2.gz VJQCJYACQXYQOJ-QWHCGFSZSA-N 0 1 246.354 2.191 20 0 BEADMN Fc1ccc(-c2nc([C@H]3CCCN3)no2)s1 ZINC000663251818 412401028 /nfs/dbraw/zinc/40/10/28/412401028.db2.gz SJQRGIJDITYWBR-ZCFIWIBFSA-N 0 1 239.275 2.362 20 0 BEADMN CCc1ccc(CNCC2(C)OCCCO2)o1 ZINC000192248257 171804357 /nfs/dbraw/zinc/80/43/57/171804357.db2.gz PFUYPDKZNNGZOB-UHFFFAOYSA-N 0 1 239.315 2.085 20 0 BEADMN CCc1ccc([C@@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000184284846 171831239 /nfs/dbraw/zinc/83/12/39/171831239.db2.gz HDKFQPJSEOYKDX-IEVXNVSRSA-N 0 1 243.372 2.260 20 0 BEADMN CCc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789552 171877921 /nfs/dbraw/zinc/87/79/21/171877921.db2.gz VNVNTSKCBZUNFR-ZDUSSCGKSA-N 0 1 233.311 2.156 20 0 BEADMN CCc1nc([C@@H](C)NCc2occc2C)n[nH]1 ZINC000270627562 172002540 /nfs/dbraw/zinc/00/25/40/172002540.db2.gz DWEPQEXAKTUCRG-SECBINFHSA-N 0 1 234.303 2.119 20 0 BEADMN CCc1ncc(CNCc2ccn(C)c2)s1 ZINC000165574790 172018390 /nfs/dbraw/zinc/01/83/90/172018390.db2.gz UFYTXLLCSBVIOU-UHFFFAOYSA-N 0 1 235.356 2.334 20 0 BEADMN CCc1nnc(CN2CCCCC[C@@H]2C)o1 ZINC000334150405 172048693 /nfs/dbraw/zinc/04/86/93/172048693.db2.gz LDSUFDIYSFLCDT-JTQLQIEISA-N 0 1 223.320 2.397 20 0 BEADMN CCc1nnc(CN2CCCCC[C@H]2C)o1 ZINC000334150410 172048793 /nfs/dbraw/zinc/04/87/93/172048793.db2.gz LDSUFDIYSFLCDT-SNVBAGLBSA-N 0 1 223.320 2.397 20 0 BEADMN CCc1nnc(CN2CC[C@H]3CCC[C@@H]32)o1 ZINC000336346075 172049699 /nfs/dbraw/zinc/04/96/99/172049699.db2.gz RDGVGNFUPLLWOV-ZJUUUORDSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C(C)C)C2)o1 ZINC000336669209 172051116 /nfs/dbraw/zinc/05/11/16/172051116.db2.gz HYLHKOYBKARJJT-SNVBAGLBSA-N 0 1 223.320 2.110 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000102950178 172051235 /nfs/dbraw/zinc/05/12/35/172051235.db2.gz RAGOYGSMSOOYIS-LLVKDONJSA-N 0 1 235.331 2.397 20 0 BEADMN CCc1nnc(CN[C@@H](C)[C@@H](C)CC)o1 ZINC000183013746 172052660 /nfs/dbraw/zinc/05/26/60/172052660.db2.gz DBKZENYFYGLXAB-IUCAKERBSA-N 0 1 211.309 2.156 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@H]2CC)s1 ZINC000336734561 172053870 /nfs/dbraw/zinc/05/38/70/172053870.db2.gz NIAJPMDJXVYGMK-BDAKNGLRSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(SCC2CCC(=O)CC2)[nH]1 ZINC000285308629 172061894 /nfs/dbraw/zinc/06/18/94/172061894.db2.gz QFHZKAPPIKHSEI-UHFFFAOYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1n[nH]c(SCC2CCC(=O)CC2)n1 ZINC000285308629 172061896 /nfs/dbraw/zinc/06/18/96/172061896.db2.gz QFHZKAPPIKHSEI-UHFFFAOYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1nnc(SCC[C@H]2CCCC2=O)[nH]1 ZINC000178488055 172062362 /nfs/dbraw/zinc/06/23/62/172062362.db2.gz OUPWMYSUQLZXKS-MRVPVSSYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1n[nH]c(SCC[C@H]2CCCC2=O)n1 ZINC000178488055 172062365 /nfs/dbraw/zinc/06/23/65/172062365.db2.gz OUPWMYSUQLZXKS-MRVPVSSYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1nc(SCc2scnc2C)n[nH]1 ZINC000289337827 172064101 /nfs/dbraw/zinc/06/41/01/172064101.db2.gz ITZYZHKSSUEVTB-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1n[nH]c(SCc2scnc2C)n1 ZINC000289337827 172064103 /nfs/dbraw/zinc/06/41/03/172064103.db2.gz ITZYZHKSSUEVTB-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)C2)o1 ZINC000362434807 172065839 /nfs/dbraw/zinc/06/58/39/172065839.db2.gz PJLHVQNIBKMZAW-GUBZILKMSA-N 0 1 223.320 2.281 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3CCC[C@H]3C2)o1 ZINC000362484031 172065995 /nfs/dbraw/zinc/06/59/95/172065995.db2.gz JCRHJSFDNDOEKI-DCAQKATOSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1noc(C)c1CN(CC)C[C@H](C)OC ZINC000361564255 172075504 /nfs/dbraw/zinc/07/55/04/172075504.db2.gz MBKYLTMOVNXWFW-JTQLQIEISA-N 0 1 240.347 2.402 20 0 BEADMN CCc1noc(CC)c1CNCc1cccn1C ZINC000088745889 172083067 /nfs/dbraw/zinc/08/30/67/172083067.db2.gz RXQIAPZPSCDCJJ-UHFFFAOYSA-N 0 1 247.342 2.428 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@@H](C)C2)n1 ZINC000336582032 172089006 /nfs/dbraw/zinc/08/90/06/172089006.db2.gz KPTHIWIXSGXZBB-RKDXNWHRSA-N 0 1 209.293 2.035 20 0 BEADMN CCc1noc([C@H](C)N(C)CC2CCC2)n1 ZINC000111296533 172091092 /nfs/dbraw/zinc/09/10/92/172091092.db2.gz UDCJVCOKKHXXQH-VIFPVBQESA-N 0 1 223.320 2.425 20 0 BEADMN CCc1nocc1CN(C)CCCOC(C)C ZINC000339610502 172093844 /nfs/dbraw/zinc/09/38/44/172093844.db2.gz YDZBDPMZBFAOMV-UHFFFAOYSA-N 0 1 240.347 2.484 20 0 BEADMN CCc1nocc1CN(C)CCCF ZINC000293492225 172093879 /nfs/dbraw/zinc/09/38/79/172093879.db2.gz SWNHIRDZVKAAOE-UHFFFAOYSA-N 0 1 200.257 2.028 20 0 BEADMN CCc1nocc1CN(C)CC[C@H]1CCCO1 ZINC000339604941 172093999 /nfs/dbraw/zinc/09/39/99/172093999.db2.gz JMEPIBFVIFZDIT-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1nocc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000353109378 172097963 /nfs/dbraw/zinc/09/79/63/172097963.db2.gz JRQUDELKSBDMMX-GWCFXTLKSA-N 0 1 238.331 2.094 20 0 BEADMN CCn1c(CN[C@H](C)COC)nc2ccccc21 ZINC000038046575 172145285 /nfs/dbraw/zinc/14/52/85/172145285.db2.gz CQQULWIBWTVVSW-LLVKDONJSA-N 0 1 247.342 2.181 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cccc(O)c2)cn1 ZINC000112098743 172173994 /nfs/dbraw/zinc/17/39/94/172173994.db2.gz XSSZZYGANDMGBO-NSHDSACASA-N 0 1 245.326 2.459 20 0 BEADMN CCn1cc(NC(=O)c2c(O)cccc2F)cn1 ZINC000119637482 172183630 /nfs/dbraw/zinc/18/36/30/172183630.db2.gz YUBPINDTGAYYQI-UHFFFAOYSA-N 0 1 249.245 2.000 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CSC1(C)C ZINC000296267250 172227868 /nfs/dbraw/zinc/22/78/68/172227868.db2.gz BYIFLUGSJDCKGD-NXEZZACHSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1ncnc1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000336326013 172279308 /nfs/dbraw/zinc/27/93/08/172279308.db2.gz MQGFYRXETBBIBB-NWDGAFQWSA-N 0 1 248.374 2.309 20 0 BEADMN CCn1ncnc1CN[C@@H]1CCC12CCCC2 ZINC000359070645 172282024 /nfs/dbraw/zinc/28/20/24/172282024.db2.gz JUUMMKJQIGAWQY-LLVKDONJSA-N 0 1 234.347 2.110 20 0 BEADMN CCn1nnc(C)c1CN1CC(C)=C[C@@H](C)C1 ZINC000336229105 172286790 /nfs/dbraw/zinc/28/67/90/172286790.db2.gz VDVJZYFUJJGWLL-SNVBAGLBSA-N 0 1 234.347 2.004 20 0 BEADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000046395368 172336365 /nfs/dbraw/zinc/33/63/65/172336365.db2.gz MERLYCLREQEUDT-UHFFFAOYSA-N 0 1 241.294 2.311 20 0 BEADMN CN(C(=O)c1[nH]nc2ccccc21)C1CCC1 ZINC000135050408 172336434 /nfs/dbraw/zinc/33/64/34/172336434.db2.gz CQXUDEZDHMMPGB-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN CN(C(=O)c1cccc2n[nH]cc21)C1CCC1 ZINC000266097908 172342659 /nfs/dbraw/zinc/34/26/59/172342659.db2.gz FIJUIFPRDVZCAS-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN CN1CCC[C@H]1C(=O)N1CCCCC(C)(C)C1 ZINC000336462001 173048158 /nfs/dbraw/zinc/04/81/58/173048158.db2.gz AETPRDDDWIRLJM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CN1CCC[C@H]1C(=O)NCCCCC(C)(C)C ZINC000355694163 173051877 /nfs/dbraw/zinc/05/18/77/173051877.db2.gz AASLEULHPUGIBU-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CN1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000154398150 173088474 /nfs/dbraw/zinc/08/84/74/173088474.db2.gz KQVMIFPNXCHEKR-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CNC(=O)c1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000336567594 173311844 /nfs/dbraw/zinc/31/18/44/173311844.db2.gz OUQDQPWCKMBQPM-PHIMTYICSA-N 0 1 232.327 2.029 20 0 BEADMN COC(=O)[C@H]1CCCN1C[C@H](C)c1ccccc1 ZINC000116877151 173812589 /nfs/dbraw/zinc/81/25/89/173812589.db2.gz KTLCHDHJSQEXNH-GXTWGEPZSA-N 0 1 247.338 2.428 20 0 BEADMN COC1CCC(N(C)Cc2cocn2)CC1 ZINC000277579041 174021819 /nfs/dbraw/zinc/02/18/19/174021819.db2.gz BQWIHGPKBLBQHY-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN COCC(C)(C)C[N@@H+](C)Cc1cnccc1C ZINC000355613940 174069141 /nfs/dbraw/zinc/06/91/41/174069141.db2.gz VZQRSZMBXWBSQW-UHFFFAOYSA-N 0 1 236.359 2.494 20 0 BEADMN COCC(C)(C)N(C)Cc1c(C)noc1C ZINC000292334731 174077927 /nfs/dbraw/zinc/07/79/27/174077927.db2.gz OUPRCQGYEYLTLX-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN COCC1(NCc2cccnc2Cl)CCC1 ZINC000283944787 174109339 /nfs/dbraw/zinc/10/93/39/174109339.db2.gz JVHLYTKXBZHKNN-UHFFFAOYSA-N 0 1 240.734 2.394 20 0 BEADMN COCc1cc(=O)n(-c2cccc(Cl)c2)[nH]1 ZINC000100226860 174117250 /nfs/dbraw/zinc/11/72/50/174117250.db2.gz JIBRHSFWBLOYPD-UHFFFAOYSA-N 0 1 238.674 2.079 20 0 BEADMN COCC1=CCN(Cc2ccc(C)nc2)CC1 ZINC000361144262 174117770 /nfs/dbraw/zinc/11/77/70/174117770.db2.gz ZBAQSTLDWOWLBV-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000338403358 174168656 /nfs/dbraw/zinc/16/86/56/174168656.db2.gz CBVYNAYSJWGGPQ-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN COCCCN(C)Cc1nc2ccccc2o1 ZINC000299273629 174219171 /nfs/dbraw/zinc/21/91/71/174219171.db2.gz PEKSSOWNMIMGDI-UHFFFAOYSA-N 0 1 234.299 2.296 20 0 BEADMN COCCCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070696086 174235232 /nfs/dbraw/zinc/23/52/32/174235232.db2.gz HAKKJMBSJHLHMO-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN COCCCOCCN(C)Cc1ccc(C)o1 ZINC000181521886 174253708 /nfs/dbraw/zinc/25/37/08/174253708.db2.gz AFKLCDMVUVSQJI-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN COCCC[C@@H](C)N[C@@H](C)c1nnc(C)s1 ZINC000309678152 174261393 /nfs/dbraw/zinc/26/13/93/174261393.db2.gz YMUZTOBNRNBWPU-BDAKNGLRSA-N 0 1 243.376 2.312 20 0 BEADMN COCCCn1nccc1CN1CCC=C(C)C1 ZINC000282973701 174267681 /nfs/dbraw/zinc/26/76/81/174267681.db2.gz ITTIWWRVAKUADB-UHFFFAOYSA-N 0 1 249.358 2.072 20 0 BEADMN COCCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000277732695 174280303 /nfs/dbraw/zinc/28/03/03/174280303.db2.gz OEYYILPRIAHZKN-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN COCCN(Cc1cnc(C)s1)C1CC1 ZINC000336654308 174300426 /nfs/dbraw/zinc/30/04/26/174300426.db2.gz ZTKXAWVPEIKQKN-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN COCCN1CC(c2nc3ccccc3s2)C1 ZINC000336702592 174303768 /nfs/dbraw/zinc/30/37/68/174303768.db2.gz MHQSWRMNBSZZPS-UHFFFAOYSA-N 0 1 248.351 2.342 20 0 BEADMN COCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000374534034 174313820 /nfs/dbraw/zinc/31/38/20/174313820.db2.gz CPRMSNIEPZGGNM-ZDUSSCGKSA-N 0 1 223.291 2.204 20 0 BEADMN COCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019881243 174336273 /nfs/dbraw/zinc/33/62/73/174336273.db2.gz QDXDHALJAKVSBP-KOLCDFICSA-N 0 1 209.289 2.139 20 0 BEADMN COCC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285653175 174385638 /nfs/dbraw/zinc/38/56/38/174385638.db2.gz LUUDUAWCHCHTKO-RKDXNWHRSA-N 0 1 244.285 2.435 20 0 BEADMN COCC[C@@H](NCc1cccn1C)c1ccco1 ZINC000272418718 174394012 /nfs/dbraw/zinc/39/40/12/174394012.db2.gz DBZVHBGZFUZRCV-CYBMUJFWSA-N 0 1 248.326 2.486 20 0 BEADMN COCC[C@@H]1COCCN1Cc1ccc(C)cc1 ZINC000291355975 174399206 /nfs/dbraw/zinc/39/92/06/174399206.db2.gz XTJWRLIUSRVMJB-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN COC[C@H](NC[C@@H]1CCCCO1)c1ccco1 ZINC000184530381 174581069 /nfs/dbraw/zinc/58/10/69/174581069.db2.gz PWDRGKBZPLGBHO-RYUDHWBXSA-N 0 1 239.315 2.126 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000659786515 487628869 /nfs/dbraw/zinc/62/88/69/487628869.db2.gz QAWUVZVFSRQIMI-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cscn1 ZINC000290212952 174714097 /nfs/dbraw/zinc/71/40/97/174714097.db2.gz QBACFZSHFHMWFA-HLTSFMKQSA-N 0 1 214.334 2.217 20 0 BEADMN CO[C@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000336653394 174826706 /nfs/dbraw/zinc/82/67/06/174826706.db2.gz YJRFKKPIEJDNDU-MRVPVSSYSA-N 0 1 223.238 2.216 20 0 BEADMN CC(C)[C@H]1CN(C(=O)Cc2ccn[nH]2)[C@H]1C(C)C ZINC000456356846 487629506 /nfs/dbraw/zinc/62/95/06/487629506.db2.gz XRXINHDDNPRGCG-OCCSQVGLSA-N 0 1 249.358 2.091 20 0 BEADMN COc1cc(F)cc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000295352132 174993599 /nfs/dbraw/zinc/99/35/99/174993599.db2.gz IRHBZWCENHDYAM-VIFPVBQESA-N 0 1 249.289 2.408 20 0 BEADMN COc1cc2c(cc1F)CC[C@H]2NCCF ZINC000281795197 175022388 /nfs/dbraw/zinc/02/23/88/175022388.db2.gz XYXJQILBQIINRE-LLVKDONJSA-N 0 1 227.254 2.381 20 0 BEADMN COc1ccc(C)cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000037598505 175074843 /nfs/dbraw/zinc/07/48/43/175074843.db2.gz CVLSXTINNSGUFT-UHFFFAOYSA-N 0 1 249.310 2.053 20 0 BEADMN COc1ccc(C)cc1CNCc1cnn(C)c1 ZINC000041159132 175076259 /nfs/dbraw/zinc/07/62/59/175076259.db2.gz QRWMEYQJPBJAOI-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN COc1ccc(C)cc1CN[C@H](C)CF ZINC000336658684 175076394 /nfs/dbraw/zinc/07/63/94/175076394.db2.gz BDGKXJHWYOHZGO-SNVBAGLBSA-N 0 1 211.280 2.451 20 0 BEADMN COc1ccc(CCCNCc2cocn2)cc1 ZINC000192293577 175089340 /nfs/dbraw/zinc/08/93/40/175089340.db2.gz NARSTJGDBKFJFM-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN COc1ccc(CN2CC3(C2)CCOC3)cc1C ZINC000293974826 175098426 /nfs/dbraw/zinc/09/84/26/175098426.db2.gz KJYHKFYNVHGZLJ-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN COc1ccc(CN2CC[C@H](OC)C2)cc1F ZINC000267619587 175102891 /nfs/dbraw/zinc/10/28/91/175102891.db2.gz DGTQINAESFEFAP-NSHDSACASA-N 0 1 239.290 2.055 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000192245103 175110746 /nfs/dbraw/zinc/11/07/46/175110746.db2.gz LZHGNYVGEQIVJE-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc(CN[C@H](C)CF)cc1F ZINC000288555311 175111163 /nfs/dbraw/zinc/11/11/63/175111163.db2.gz YCKWXFPTJYAXOH-MRVPVSSYSA-N 0 1 215.243 2.282 20 0 BEADMN COc1ccc(Cl)cc1CN(C)C[C@H](C)O ZINC000051838059 175120333 /nfs/dbraw/zinc/12/03/33/175120333.db2.gz DALNOKUTWXASMN-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(F)c(CN(CCO)C(C)C)c1 ZINC000294905797 175124461 /nfs/dbraw/zinc/12/44/61/175124461.db2.gz MYIZFIFTYSAHES-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)c(CN(C)C[C@@H](C)OC)c1 ZINC000353512266 175124560 /nfs/dbraw/zinc/12/45/60/175124560.db2.gz UKZQLRYPJQVNSK-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN COc1ccc(F)c(CNCc2ccn(C)c2)c1 ZINC000293551524 175125517 /nfs/dbraw/zinc/12/55/17/175125517.db2.gz LGBYEARVZBRTGP-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN COc1cccc(CCCN2CCO[C@H](C)C2)c1 ZINC000172742244 175252231 /nfs/dbraw/zinc/25/22/31/175252231.db2.gz IRYQYXPFUKQTJP-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc([C@@H](C)NCc2c[nH]cn2)c1 ZINC000054765031 175287085 /nfs/dbraw/zinc/28/70/85/175287085.db2.gz ZYHIJRSFBDHISN-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccnc(CN2CCC=C(C)C2)c1 ZINC000280699099 175358561 /nfs/dbraw/zinc/35/85/61/175358561.db2.gz CASHCUBMOWJXKQ-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1ccncc1CN1CC[C@H](SC)C1 ZINC000296057779 175370942 /nfs/dbraw/zinc/37/09/42/175370942.db2.gz BFZDHTAXAIALSN-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1nccn1C(F)F ZINC000309918391 175570324 /nfs/dbraw/zinc/57/03/24/175570324.db2.gz QPXRRQBEYBCSPN-YUMQZZPRSA-N 0 1 247.314 2.262 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)OCCO2 ZINC000271604995 175879083 /nfs/dbraw/zinc/87/90/83/175879083.db2.gz ANLVQQYGQZSBKJ-SECBINFHSA-N 0 1 225.263 2.078 20 0 BEADMN C[C@@H](NC[C@@H](O)C1CCCCC1)c1ncc[nH]1 ZINC000330597643 175886317 /nfs/dbraw/zinc/88/63/17/175886317.db2.gz AMKFTPMKXKZZEE-ZYHUDNBSSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1ccc(Cl)cn1 ZINC000336745065 175917027 /nfs/dbraw/zinc/91/70/27/175917027.db2.gz AVKIYHYHPUFXBP-PSASIEDQSA-N 0 1 226.707 2.175 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)[O-] ZINC000106037444 176014245 /nfs/dbraw/zinc/01/42/45/176014245.db2.gz FBIDJWVFDBZEEN-QMMMGPOBSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccn[nH]1 ZINC000174469711 176019218 /nfs/dbraw/zinc/01/92/18/176019218.db2.gz WMRDVSFNHBYJBQ-NSHDSACASA-N 0 1 243.310 2.172 20 0 BEADMN C[C@@H](c1ccccc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000336548441 176021383 /nfs/dbraw/zinc/02/13/83/176021383.db2.gz YLXFOXRCIXUAOD-JSGCOSHPSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@@H](c1cnccn1)N1CCC(CF)CC1 ZINC000295193324 176035510 /nfs/dbraw/zinc/03/55/10/176035510.db2.gz UAVXKEBGIIATRK-JTQLQIEISA-N 0 1 223.295 2.219 20 0 BEADMN C[C@@H](c1ccncc1)N(C)Cc1ccnc(N)c1 ZINC000299652848 176036349 /nfs/dbraw/zinc/03/63/49/176036349.db2.gz LDFAAAMAZYUSRU-NSHDSACASA-N 0 1 242.326 2.252 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@@](C)(O)C1 ZINC000181134830 176039006 /nfs/dbraw/zinc/03/90/06/176039006.db2.gz XZDSLHWUEYWICN-IINYFYTJSA-N 0 1 246.310 2.346 20 0 BEADMN C[C@@H](c1nncn1C)N1CCCC(C)(C)CC1 ZINC000336584998 176039796 /nfs/dbraw/zinc/03/97/96/176039796.db2.gz GTKRKWVABBATOY-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN C[C@@H]1CC([NH2+]Cc2ccn[nH]2)C[C@@H](C)C1 ZINC000082829240 176055457 /nfs/dbraw/zinc/05/54/57/176055457.db2.gz XFLWQLXWMHWGHK-UWVGGRQHSA-N 0 1 207.321 2.324 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1CCCC[C@@H](C)C1 ZINC000361773052 176064911 /nfs/dbraw/zinc/06/49/11/176064911.db2.gz ZRTNLZPQCUQBIY-GHMZBOCLSA-N 0 1 249.362 2.191 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@](C)(N)c1ccccc1 ZINC000052880948 176069578 /nfs/dbraw/zinc/06/95/78/176069578.db2.gz YCCNWAHJZGZWCP-IUODEOHRSA-N 0 1 246.354 2.262 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)c1ccccc1 ZINC000019428493 176080255 /nfs/dbraw/zinc/08/02/55/176080255.db2.gz WSBQEESNWKTLSS-XBFCOCLRSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCCC1 ZINC000302528867 176086666 /nfs/dbraw/zinc/08/66/66/176086666.db2.gz DMTJUHWLEMJXDG-CHWSQXEVSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000154444657 176109132 /nfs/dbraw/zinc/10/91/32/176109132.db2.gz YLCOMEKTQLFHMA-GFCCVEGCSA-N 0 1 232.327 2.134 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@H]1CCCN1C ZINC000346356080 176113386 /nfs/dbraw/zinc/11/33/86/176113386.db2.gz CEFLAVBVFFYYNO-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC(=O)NCC2(C)C)C1 ZINC000337430048 176117091 /nfs/dbraw/zinc/11/70/91/176117091.db2.gz UPMIELCJZOZYAC-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000078830912 176120978 /nfs/dbraw/zinc/12/09/78/176120978.db2.gz LWSPJEVODPTVAB-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2csnn2)C1 ZINC000037507487 176124169 /nfs/dbraw/zinc/12/41/69/176124169.db2.gz IDUWNJPRSOGHDT-RKDXNWHRSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CC[S@](=O)[C@H](C)C2)C1 ZINC000356991024 176137207 /nfs/dbraw/zinc/13/72/07/176137207.db2.gz UUOIGFBVQSVJGE-FOCJUVANSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000281936432 176141272 /nfs/dbraw/zinc/14/12/72/176141272.db2.gz RVWMRHCRUQYFNE-NEPJUHHUSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000263839760 176162905 /nfs/dbraw/zinc/16/29/05/176162905.db2.gz WPNIWLITAKIAAP-SECBINFHSA-N 0 1 229.283 2.045 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccc3cncn3c2)[C@@H]1C ZINC000284549765 176163673 /nfs/dbraw/zinc/16/36/73/176163673.db2.gz BKFSDKSILUZBSB-GHMZBOCLSA-N 0 1 243.310 2.205 20 0 BEADMN C[C@@H]1CCN(Cc2cc[nH]n2)CC1(C)C ZINC000273685839 176173816 /nfs/dbraw/zinc/17/38/16/176173816.db2.gz AKQKCZBOPJYICC-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C)CC1(C)C ZINC000336405414 176179626 /nfs/dbraw/zinc/17/96/26/176179626.db2.gz QTSCVDTVVHNMLM-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000127973631 176186637 /nfs/dbraw/zinc/18/66/37/176186637.db2.gz OPWRQHVOJIHMDH-RKDXNWHRSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@@H]1CCN[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000127912204 176186948 /nfs/dbraw/zinc/18/69/48/176186948.db2.gz RJTKDBZZMFKUOR-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2nccn2C)C1 ZINC000275686718 176229457 /nfs/dbraw/zinc/22/94/57/176229457.db2.gz OYJGHEPGMBAEKP-MNOVXSKESA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC000267746627 176259619 /nfs/dbraw/zinc/25/96/19/176259619.db2.gz XHZWBKPAUBUEBQ-DTORHVGOSA-N 0 1 233.315 2.015 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC000267746635 176260026 /nfs/dbraw/zinc/26/00/26/176260026.db2.gz XHZWBKPAUBUEBQ-RKDXNWHRSA-N 0 1 233.315 2.015 20 0 BEADMN C[C@H]1CN(C(=O)c2ccc(F)cc2O)C[C@H]1C ZINC000228311453 176261479 /nfs/dbraw/zinc/26/14/79/176261479.db2.gz ZDVIYDZWWYZSJL-DTORHVGOSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@H]2CCCC[C@H]12 ZINC000273018114 176264566 /nfs/dbraw/zinc/26/45/66/176264566.db2.gz CBMWKMWNTNLCRZ-FOGDFJRCSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)[C@@H]1C ZINC000336468603 176283734 /nfs/dbraw/zinc/28/37/34/176283734.db2.gz XMLFYPKJUHDRKZ-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1C(=O)[O-] ZINC000335445608 487633703 /nfs/dbraw/zinc/63/37/03/487633703.db2.gz XPYZDNMZYVTHRQ-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CN(CC2(C)CCC2)C[C@@H](C)S1=O ZINC000336138543 176284791 /nfs/dbraw/zinc/28/47/91/176284791.db2.gz ZBYSMGVPCXYNEC-GHMZBOCLSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@@H]1CN(CC2OCCO2)[C@@H]1c1ccccc1 ZINC000272281647 176285996 /nfs/dbraw/zinc/28/59/96/176285996.db2.gz OHPDXGGVPBTIMA-RISCZKNCSA-N 0 1 233.311 2.052 20 0 BEADMN C[C@@H]1CN(CC[C@@H](O)c2ccccc2)[C@H](C)CO1 ZINC000251731101 176292348 /nfs/dbraw/zinc/29/23/48/176292348.db2.gz QNNVEGRARYVNHE-UMVBOHGHSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2F)[C@@H]1C ZINC000293202024 176298176 /nfs/dbraw/zinc/29/81/76/176298176.db2.gz XSDLBMRGACJDTI-GIPNMCIBSA-N 0 1 223.291 2.199 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CO ZINC000191725462 176304019 /nfs/dbraw/zinc/30/40/19/176304019.db2.gz WVXHPJZLZTUFBK-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)C[C@@H](C2CC2)O1 ZINC000280534689 176307812 /nfs/dbraw/zinc/30/78/12/176307812.db2.gz IRJJGMMCVCTTQU-RISCZKNCSA-N 0 1 234.343 2.024 20 0 BEADMN C[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C ZINC000336428222 176313174 /nfs/dbraw/zinc/31/31/74/176313174.db2.gz DRSAVOFGAAPHGY-VXGBXAGGSA-N 0 1 248.374 2.092 20 0 BEADMN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)[C@@H]1C ZINC000293495621 176316878 /nfs/dbraw/zinc/31/68/78/176316878.db2.gz TZHXNEPIFWBXTQ-BZPMIXESSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H]1COCCN1CCCOCc1ccccc1 ZINC000273238578 176336772 /nfs/dbraw/zinc/33/67/72/176336772.db2.gz SYKYHGBEFCLQAP-CQSZACIVSA-N 0 1 249.354 2.314 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000019809985 176361195 /nfs/dbraw/zinc/36/11/95/176361195.db2.gz WWTKNCFMGBFYPT-BZPMIXESSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@]2(C)CCCO2)c2nccn21 ZINC000345346064 176376565 /nfs/dbraw/zinc/37/65/65/176376565.db2.gz CEDOULBBYOCDAM-WZRBSPASSA-N 0 1 235.331 2.048 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000354913207 176390993 /nfs/dbraw/zinc/39/09/93/176390993.db2.gz GHBITDDOOOWTCZ-ZYHUDNBSSA-N 0 1 247.342 2.128 20 0 BEADMN C[C@@H]1C[C@H]1CNCc1nccc(C(F)F)n1 ZINC000336778810 176440235 /nfs/dbraw/zinc/44/02/35/176440235.db2.gz MKDNSDUKTPOZAY-SFYZADRCSA-N 0 1 227.258 2.160 20 0 BEADMN CNc1ccccc1CN[C@H](C)c1n[nH]c(C)n1 ZINC001652387529 1173071052 /nfs/dbraw/zinc/07/10/52/1173071052.db2.gz BPKJUHOOGXGLGZ-SECBINFHSA-N 0 1 245.330 2.006 20 0 BEADMN C[C@H](NCCc1ccccn1)c1cscn1 ZINC000161131063 176854415 /nfs/dbraw/zinc/85/44/15/176854415.db2.gz GQOJWNWDNPSLDZ-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1nccn1C ZINC000356678319 176888697 /nfs/dbraw/zinc/88/86/97/176888697.db2.gz FMUYGORZYAMCFH-SDDRHHMPSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](Cn1cccn1)N[C@@H](C)c1nccs1 ZINC000083142988 176912221 /nfs/dbraw/zinc/91/22/21/176912221.db2.gz YOTZFVHRBNYBJT-ZJUUUORDSA-N 0 1 236.344 2.079 20 0 BEADMN C[C@H](O)CN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000281482683 176990797 /nfs/dbraw/zinc/99/07/97/176990797.db2.gz WSTHYRVYYUNMNK-QWRGUYRKSA-N 0 1 246.310 2.373 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000162823431 177009841 /nfs/dbraw/zinc/00/98/41/177009841.db2.gz PTYRXTVLEXXRBU-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)c1ncc(CNCc2ccccc2)s1 ZINC000289985814 177019494 /nfs/dbraw/zinc/01/94/94/177019494.db2.gz DSKBMAIYVGHXLS-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nccc(N)n1 ZINC000119985107 177080614 /nfs/dbraw/zinc/08/06/14/177080614.db2.gz WZSICLQJLVHFIG-QWRGUYRKSA-N 0 1 234.347 2.069 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nccc(N)n1 ZINC000119985107 177080617 /nfs/dbraw/zinc/08/06/17/177080617.db2.gz WZSICLQJLVHFIG-QWRGUYRKSA-N 0 1 234.347 2.069 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000187200599 177082867 /nfs/dbraw/zinc/08/28/67/177082867.db2.gz AQGDSPZXNRDKOJ-CABZTGNLSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCCC[C@H]1NCc1csnn1 ZINC000036901937 177088734 /nfs/dbraw/zinc/08/87/34/177088734.db2.gz DKPPSBRFSYTRAA-WCBMZHEXSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000298596417 177088919 /nfs/dbraw/zinc/08/89/19/177088919.db2.gz XFNGJVXKFKWUQR-GXSJLCMTSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CCCC[C@H]1OCC[N@@H+](CCO)C1CC1 ZINC000303095666 177089417 /nfs/dbraw/zinc/08/94/17/177089417.db2.gz PJDKXSDAJGDWRC-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000021805916 177089890 /nfs/dbraw/zinc/08/98/90/177089890.db2.gz BDRDWHLZDWQKDB-DTWKUNHWSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@H]1CCCN(CC(=O)c2cccn2C)[C@H]1C ZINC000250566140 177096875 /nfs/dbraw/zinc/09/68/75/177096875.db2.gz UJGAQYYRBLUOBN-RYUDHWBXSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1CCC[N@@H+](CCc2ccccc2)[C@H]1C(=O)[O-] ZINC000300268614 177099619 /nfs/dbraw/zinc/09/96/19/177099619.db2.gz APQCBGYEMHLSPO-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@H]1CCCN1C[C@H](O)c1c(F)cccc1F ZINC000076116466 177109125 /nfs/dbraw/zinc/10/91/25/177109125.db2.gz RLUCMSDUFHADED-CABZTGNLSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H]1CCCN1C[C@@H](O)c1cc(F)ccc1F ZINC000247454692 177109645 /nfs/dbraw/zinc/10/96/45/177109645.db2.gz HSSBERHPYCZFPU-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000346356082 177117317 /nfs/dbraw/zinc/11/73/17/177117317.db2.gz CEFLAVBVFFYYNO-QNWHQSFQSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1nccn1C ZINC000066531884 177117530 /nfs/dbraw/zinc/11/75/30/177117530.db2.gz AZLTWAQVMTYSHO-PHIMTYICSA-N 0 1 207.321 2.183 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000124498326 177118802 /nfs/dbraw/zinc/11/88/02/177118802.db2.gz ARZLPENEUKHXMM-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112827398 177125264 /nfs/dbraw/zinc/12/52/64/177125264.db2.gz XSAUSDJIAPONDW-ONGXEEELSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1ccc2cncn2c1 ZINC000283317800 177125585 /nfs/dbraw/zinc/12/55/85/177125585.db2.gz FKKXOBYWIIXLOT-GWCFXTLKSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NC(=O)CCc1cnc[nH]1 ZINC000193285135 177129542 /nfs/dbraw/zinc/12/95/42/177129542.db2.gz IDHVBTHKKBUEQO-QWRGUYRKSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)[C@](C)(N)c1ccccc1 ZINC000192507173 177152179 /nfs/dbraw/zinc/15/21/79/177152179.db2.gz WPNBCLPCIUXSAC-YWPYICTPSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(F)cc1O ZINC000124026554 177153508 /nfs/dbraw/zinc/15/35/08/177153508.db2.gz VOMXUEBWPWDTGM-DTWKUNHWSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@H]1C ZINC000336562164 177155396 /nfs/dbraw/zinc/15/53/96/177155396.db2.gz DLBOQUVEWFTGHD-IUCAKERBSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnccc2N(C)C)[C@H]1C ZINC000183851701 177156380 /nfs/dbraw/zinc/15/63/80/177156380.db2.gz SGZYMFXJZBPDIO-QWRGUYRKSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@H]1CCN(Cc2c(F)cccc2F)[C@@H]1CO ZINC000189728585 177162844 /nfs/dbraw/zinc/16/28/44/177162844.db2.gz UWQKWDCRPIOALS-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000041043379 177162866 /nfs/dbraw/zinc/16/28/66/177162866.db2.gz WGMNJTYFTGDTDY-JTQLQIEISA-N 0 1 219.284 2.227 20 0 BEADMN C[C@H]1CCN(Cc2cc[nH]n2)CC1(C)C ZINC000273685831 177164063 /nfs/dbraw/zinc/16/40/63/177164063.db2.gz AKQKCZBOPJYICC-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN C[C@H]1CCN[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000127912433 177176618 /nfs/dbraw/zinc/17/66/18/177176618.db2.gz RJTKDBZZMFKUOR-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CC[C@H](C)N(CC(=O)c2cccn2C)C1 ZINC000088706283 177183340 /nfs/dbraw/zinc/18/33/40/177183340.db2.gz ZXOSQNNIUPQGMZ-NEPJUHHUSA-N 0 1 234.343 2.328 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000037995037 487637525 /nfs/dbraw/zinc/63/75/25/487637525.db2.gz RALQESFNUBFKOZ-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN C[C@H]1CC[C@H](N(CCO)Cc2nccs2)C1 ZINC000356360963 177203773 /nfs/dbraw/zinc/20/37/73/177203773.db2.gz JHYUFGFMBLMRHB-QWRGUYRKSA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000037995037 487637530 /nfs/dbraw/zinc/63/75/30/487637530.db2.gz RALQESFNUBFKOZ-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3cncn3C)C2)C1 ZINC000336428083 177208175 /nfs/dbraw/zinc/20/81/75/177208175.db2.gz SKASHGQSAFXWNE-JSGCOSHPSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)N1C ZINC000358705737 177214831 /nfs/dbraw/zinc/21/48/31/177214831.db2.gz ADDVUKVWUMWDFD-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CN(C(=O)CCCC2CCCC2)CCN1 ZINC000237576839 177215168 /nfs/dbraw/zinc/21/51/68/177215168.db2.gz KOBGALPFYYEWGV-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H](CC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000237609281 177217667 /nfs/dbraw/zinc/21/76/67/177217667.db2.gz UMCOZCQQOIGNOS-STQMWFEESA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1C ZINC000091327253 177231949 /nfs/dbraw/zinc/23/19/49/177231949.db2.gz OODCHULUHVTPTG-UWVGGRQHSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CN1C ZINC000336369494 177239279 /nfs/dbraw/zinc/23/92/79/177239279.db2.gz YKWONYVNQXPMQA-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(CC2=CCCCC2)CC[S@@](=O)C1 ZINC000336272860 177245111 /nfs/dbraw/zinc/24/51/11/177245111.db2.gz FSGOREHBUBMPCC-BLLLJJGKSA-N 0 1 241.400 2.187 20 0 BEADMN C[C@H]1CN(CC(C)(C)O)C[C@@H](c2ccccc2)O1 ZINC000264414600 177245644 /nfs/dbraw/zinc/24/56/44/177245644.db2.gz HCGZMGHQSPWYIG-JSGCOSHPSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(CCCCO)C[C@H](c2ccccc2)O1 ZINC000263983789 177247703 /nfs/dbraw/zinc/24/77/03/177247703.db2.gz GWAJTPRUSQOKSJ-DZGCQCFKSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H]1CN(CCCC2CCOCC2)CCC1=O ZINC000338571663 177248253 /nfs/dbraw/zinc/24/82/53/177248253.db2.gz XHCOUPIMYNYGNZ-LBPRGKRZSA-N 0 1 239.359 2.104 20 0 BEADMN C[C@H]1CN(CCOCC(F)(F)C(F)F)[C@H]1C ZINC000339584608 177252702 /nfs/dbraw/zinc/25/27/02/177252702.db2.gz YRYHUIYPAMZIDE-YUMQZZPRSA-N 0 1 243.244 2.244 20 0 BEADMN C[C@H]1CN(CCc2ccccn2)C[C@H](C2CC2)O1 ZINC000279405704 177253810 /nfs/dbraw/zinc/25/38/10/177253810.db2.gz VJXJUYTXJXZWRC-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H]1CN(Cc2ccccc2F)CCCO1 ZINC000170764891 177267070 /nfs/dbraw/zinc/26/70/70/177267070.db2.gz AFKSQMCGPUZDBE-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CO[C@@H](CO)C[N@H+]1CC1CCCCCC1 ZINC000355178172 177300132 /nfs/dbraw/zinc/30/01/32/177300132.db2.gz UGYXWFGJRBYNHE-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CO[C@H](CO)CN1CCCC1CCCC1 ZINC000153192551 177301753 /nfs/dbraw/zinc/30/17/53/177301753.db2.gz UTQRKWHBTMWWPN-JSGCOSHPSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CSCCN1Cc1cnn2ccccc12 ZINC000179664802 177305082 /nfs/dbraw/zinc/30/50/82/177305082.db2.gz KEPHFGCRMTUXQZ-NSHDSACASA-N 0 1 247.367 2.272 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1ccn(C(F)F)n1 ZINC000336779460 177306032 /nfs/dbraw/zinc/30/60/32/177306032.db2.gz OHWQTLBUSPGPEC-CBAPKCEASA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000312973965 177317429 /nfs/dbraw/zinc/31/74/29/177317429.db2.gz CQNQBXLRJGFLNK-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000335789735 177320071 /nfs/dbraw/zinc/32/00/71/177320071.db2.gz MVBBTXZZWMKWQA-TXEJJXNPSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@@H](O)C2)o1 ZINC000294876349 177351439 /nfs/dbraw/zinc/35/14/39/177351439.db2.gz PSILAZRLLIHIMV-GUDRVLHUSA-N 0 1 221.300 2.016 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000307226017 177355024 /nfs/dbraw/zinc/35/50/24/177355024.db2.gz FLCVIRSRHPARMT-AAEUAGOBSA-N 0 1 233.311 2.229 20 0 BEADMN C[C@H]1C[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000312973961 177359332 /nfs/dbraw/zinc/35/93/32/177359332.db2.gz CQNQBXLRJGFLNK-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnc(N(C)C)s1 ZINC000335271793 177360878 /nfs/dbraw/zinc/36/08/78/177360878.db2.gz BXYVIXIKSZLVHL-IUCAKERBSA-N 0 1 225.361 2.192 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1ccc(Cl)s1 ZINC000307287271 177373899 /nfs/dbraw/zinc/37/38/99/177373899.db2.gz UGUSMLOWYOQYDA-YUMQZZPRSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1nc2ccccc2s1 ZINC000334208935 177374217 /nfs/dbraw/zinc/37/42/17/177374217.db2.gz CWSADESPHJIPBK-UWVGGRQHSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H]1N(CCc2cncs2)CCOC1(C)C ZINC000336282737 177392036 /nfs/dbraw/zinc/39/20/36/177392036.db2.gz CUMOAKYOTGMHEW-SNVBAGLBSA-N 0 1 240.372 2.185 20 0 BEADMN C[C@H]1OCCN(Cc2ccccc2)[C@@H]1C ZINC000156113080 177399649 /nfs/dbraw/zinc/39/96/49/177399649.db2.gz BLWKKFHAEBJAEQ-VXGBXAGGSA-N 0 1 205.301 2.296 20 0 BEADMN Cc1noc([C@@H](C)N2CC[C@H](C(C)C)C2)n1 ZINC000674868685 487639646 /nfs/dbraw/zinc/63/96/46/487639646.db2.gz WRTNKVLLKKDFHY-KOLCDFICSA-N 0 1 223.320 2.417 20 0 BEADMN COc1cccc(CN[C@@H]2C[C@H]2c2ccco2)n1 ZINC000414579522 487639870 /nfs/dbraw/zinc/63/98/70/487639870.db2.gz IZZYWVCYMIHYMG-VXGBXAGGSA-N 0 1 244.294 2.329 20 0 BEADMN CCN(Cc1nc(C)cs1)C[C@@H]1CCOC1 ZINC000674872790 487640997 /nfs/dbraw/zinc/64/09/97/487640997.db2.gz KCJKQXRXQWLIIW-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)[nH]1 ZINC001652464148 1173088079 /nfs/dbraw/zinc/08/80/79/1173088079.db2.gz VOZSITWNEPMGTC-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN Nc1ncccc1CNc1ccc2c(n1)CCC2 ZINC001652482826 1173090608 /nfs/dbraw/zinc/09/06/08/1173090608.db2.gz GUDDURHBZLQACV-UHFFFAOYSA-N 0 1 240.310 2.160 20 0 BEADMN Cc1noc(C)c1CNC/C=C/c1ccncc1 ZINC000486953850 225274535 /nfs/dbraw/zinc/27/45/35/225274535.db2.gz AQRGAPQDBQGLAC-ONEGZZNKSA-N 0 1 243.310 2.489 20 0 BEADMN C[C@H]1C[C@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000488290987 225360832 /nfs/dbraw/zinc/36/08/32/225360832.db2.gz IFZCKKBCGUBBLT-RYUDHWBXSA-N 0 1 232.327 2.213 20 0 BEADMN COCC1(NCc2cccc(OC)c2F)CC1 ZINC000669683368 487645981 /nfs/dbraw/zinc/64/59/81/487645981.db2.gz ZRISXSXCJLBKCY-UHFFFAOYSA-N 0 1 239.290 2.103 20 0 BEADMN C[C@@H]1CN(CCCOC(C)(C)C)[C@@H](C)CO1 ZINC000674902801 487647660 /nfs/dbraw/zinc/64/76/60/487647660.db2.gz ODZGPORUXMPWLC-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(F)cc1 ZINC000079487081 487648899 /nfs/dbraw/zinc/64/88/99/487648899.db2.gz WFTLNBSQSTZQSG-ZDUSSCGKSA-N 0 1 237.274 2.265 20 0 BEADMN COCC(C)(C)CNc1ccc2nn[nH]c2c1 ZINC000494198871 226261858 /nfs/dbraw/zinc/26/18/58/226261858.db2.gz QOEOHEWTDVOXBX-UHFFFAOYSA-N 0 1 234.303 2.042 20 0 BEADMN COCC(C)(C)CNc1ccc2n[nH]nc2c1 ZINC000494198871 226261859 /nfs/dbraw/zinc/26/18/59/226261859.db2.gz QOEOHEWTDVOXBX-UHFFFAOYSA-N 0 1 234.303 2.042 20 0 BEADMN C[C@@H](NCC[C@@H]1CCOC1)C(C)(F)F ZINC000400681866 226349317 /nfs/dbraw/zinc/34/93/17/226349317.db2.gz JURKJRVUVOALPP-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN COCCN(Cc1scnc1C)C1CC1 ZINC000507156681 226366454 /nfs/dbraw/zinc/36/64/54/226366454.db2.gz UMUQHYFORYJVEC-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CC(C)(C)OCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000674909384 487651672 /nfs/dbraw/zinc/65/16/72/487651672.db2.gz LUVVCDHDXLIZFC-TXEJJXNPSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)n1ncnc1CNCC1(C2CC2)CC1 ZINC000232786252 487654308 /nfs/dbraw/zinc/65/43/08/487654308.db2.gz BBBIJCOECCRLLB-UHFFFAOYSA-N 0 1 234.347 2.139 20 0 BEADMN CC[N@@H+](CCC1CCCCC1)CC(=O)[O-] ZINC000087474449 487660586 /nfs/dbraw/zinc/66/05/86/487660586.db2.gz JQFIVCJJOSSTLU-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1[C@H](C)N(c2ncc(Cl)s2)CC[N@@H+]1C ZINC000680899927 487663104 /nfs/dbraw/zinc/66/31/04/487663104.db2.gz YHFPBKYNYZMFDK-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@@H]1[C@H](C)N(c2ncc(Cl)s2)CCN1C ZINC000680899927 487663105 /nfs/dbraw/zinc/66/31/05/487663105.db2.gz YHFPBKYNYZMFDK-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN CCCN1CC[C@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000328348229 487668774 /nfs/dbraw/zinc/66/87/74/487668774.db2.gz MPHQFCSGWMKSCP-OLZOCXBDSA-N 0 1 233.359 2.217 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2CC2)Cc2ccccc21 ZINC000087612409 487670953 /nfs/dbraw/zinc/67/09/53/487670953.db2.gz LAFKILLKPSHSNB-CYBMUJFWSA-N 0 1 231.295 2.080 20 0 BEADMN COCc1cc(CN[C@@H]2CCC(C)(C)C2)no1 ZINC000459441969 229170697 /nfs/dbraw/zinc/17/06/97/229170697.db2.gz ODXWRWAPHBBGTP-SNVBAGLBSA-N 0 1 238.331 2.489 20 0 BEADMN OC[C@]1(F)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459539426 229171177 /nfs/dbraw/zinc/17/11/77/229171177.db2.gz JOUDFZNHHVWMNH-HNNXBMFYSA-N 0 1 249.329 2.470 20 0 BEADMN O=C(Nc1ccsc1)[C@H]1CCc2[nH]cnc2C1 ZINC000668858929 487672736 /nfs/dbraw/zinc/67/27/36/487672736.db2.gz RWAXEALOADSLSM-QMMMGPOBSA-N 0 1 247.323 2.215 20 0 BEADMN CC(C)(C[N@H+]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000666579406 487674216 /nfs/dbraw/zinc/67/42/16/487674216.db2.gz MQNXWWYJXPLAJF-GFCCVEGCSA-N 0 1 247.338 2.371 20 0 BEADMN CCC(CC)(CC)CNC(=O)[C@H](C)N(C)C ZINC000675235693 487682966 /nfs/dbraw/zinc/68/29/66/487682966.db2.gz VVUPAVGYHFWARA-NSHDSACASA-N 0 1 228.380 2.269 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000665874270 487684684 /nfs/dbraw/zinc/68/46/84/487684684.db2.gz BURAOKHMZCKSIS-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCOC2)c(C)s1 ZINC000087783975 487684885 /nfs/dbraw/zinc/68/48/85/487684885.db2.gz JHKMDASFGSRAOJ-OIBJUYFYSA-N 0 1 226.345 2.199 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)CC(C)C)n1 ZINC000176888978 487689081 /nfs/dbraw/zinc/68/90/81/487689081.db2.gz AXBHOTORRNACAN-UHFFFAOYSA-N 0 1 237.347 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)CC(C)C)n1 ZINC000176888978 487689087 /nfs/dbraw/zinc/68/90/87/487689087.db2.gz AXBHOTORRNACAN-UHFFFAOYSA-N 0 1 237.347 2.223 20 0 BEADMN CCC(C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000680998199 487690184 /nfs/dbraw/zinc/69/01/84/487690184.db2.gz VOEBRFPXCUSMJE-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN c1nc(CN[C@H]2CC[C@@H]2C2CCC2)co1 ZINC000308819503 487690312 /nfs/dbraw/zinc/69/03/12/487690312.db2.gz BNCZUJDSORUCNU-NEPJUHHUSA-N 0 1 206.289 2.343 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000228615908 487690445 /nfs/dbraw/zinc/69/04/45/487690445.db2.gz RKNWAMRODCRCMV-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncccc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000384069644 487691702 /nfs/dbraw/zinc/69/17/02/487691702.db2.gz QPYKEILYTZLFKB-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CC[N@@H+](Cc1ccccn1)[C@@H]1CCCC[C@H]1O ZINC000226250533 487693547 /nfs/dbraw/zinc/69/35/47/487693547.db2.gz ZBNOYZKQFVUICY-ZIAGYGMSSA-N 0 1 234.343 2.207 20 0 BEADMN CCc1ccccc1-n1cc([C@H](C)NC)nn1 ZINC000384110949 487693221 /nfs/dbraw/zinc/69/32/21/487693221.db2.gz XZVDVPNQQBOXKI-JTQLQIEISA-N 0 1 230.315 2.110 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)[C@@H]2C)n1C ZINC000667649943 487695417 /nfs/dbraw/zinc/69/54/17/487695417.db2.gz HIUMLZZORQCSRB-UWVGGRQHSA-N 0 1 239.388 2.054 20 0 BEADMN CC1(C)CCCCN(c2ccncc2C(N)=O)C1 ZINC000527325566 262772329 /nfs/dbraw/zinc/77/23/29/262772329.db2.gz WIRFMCPDSRBKKY-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2COC(C)(C)C2)c2nccn21 ZINC000396525674 262804891 /nfs/dbraw/zinc/80/48/91/262804891.db2.gz XBPJSXZGSWCLRF-GMTAPVOTSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@H](CNCc1csnn1)CC(F)(F)F ZINC000396907563 262826018 /nfs/dbraw/zinc/82/60/18/262826018.db2.gz LPQXXMJOZDDDOO-LURJTMIESA-N 0 1 239.266 2.216 20 0 BEADMN CC[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000074732332 262923406 /nfs/dbraw/zinc/92/34/06/262923406.db2.gz XXLMZVANTBDCKU-QMMMGPOBSA-N 0 1 217.272 2.091 20 0 BEADMN FCCN[C@H](c1ccccn1)C1CCC1 ZINC000528657380 262964604 /nfs/dbraw/zinc/96/46/04/262964604.db2.gz IPLVUSCNVQTEFM-LBPRGKRZSA-N 0 1 208.280 2.482 20 0 BEADMN Cc1cnn(CCN[C@@H](C)c2ncccc2F)c1 ZINC000528823314 262976578 /nfs/dbraw/zinc/97/65/78/262976578.db2.gz FSIKKLKUCHUUCF-NSHDSACASA-N 0 1 248.305 2.076 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1C ZINC000097850415 487704964 /nfs/dbraw/zinc/70/49/64/487704964.db2.gz KOWYKCQHNPBYRJ-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CCC1(CNC(=O)c2ccc(CN)o2)CCC1 ZINC000226344237 487714562 /nfs/dbraw/zinc/71/45/62/487714562.db2.gz IOGSEKZUQFABAO-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CCC(C)(CC)NC(=O)c1ccc(CN)o1 ZINC000226351898 487716088 /nfs/dbraw/zinc/71/60/88/487716088.db2.gz HEXRFGOWGHAAPV-UHFFFAOYSA-N 0 1 224.304 2.047 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCOC[C@@H]2C)s1 ZINC000676711189 487719567 /nfs/dbraw/zinc/71/95/67/487719567.db2.gz BJKCJFNEACEGKL-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncc(CN2CCCOC[C@@H]2C)s1 ZINC000676711189 487719571 /nfs/dbraw/zinc/71/95/71/487719571.db2.gz BJKCJFNEACEGKL-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000082717513 487721346 /nfs/dbraw/zinc/72/13/46/487721346.db2.gz CDVIDRWOSJDSAN-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C)cc1F ZINC000070212118 487721723 /nfs/dbraw/zinc/72/17/23/487721723.db2.gz OJJSEMFQOAIHEC-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN C[C@@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)N(C)C ZINC000674246394 487721793 /nfs/dbraw/zinc/72/17/93/487721793.db2.gz KDEWMLKRRJUEEL-YVECIDJPSA-N 0 1 238.375 2.116 20 0 BEADMN CCN(CC)C(=O)[C@H](N)c1cccc(Cl)c1 ZINC000163415704 487724361 /nfs/dbraw/zinc/72/43/61/487724361.db2.gz QBBODULWBHVFNE-LLVKDONJSA-N 0 1 240.734 2.208 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@](C)(F)C1 ZINC000830212378 584908101 /nfs/dbraw/zinc/90/81/01/584908101.db2.gz ODCRKTOAZMXGMV-LBPRGKRZSA-N 0 1 215.312 2.426 20 0 BEADMN Cc1nc(CSc2ccc3c(c2)CCO3)n[nH]1 ZINC000665687356 487729268 /nfs/dbraw/zinc/72/92/68/487729268.db2.gz MNMCVVBULHPJBX-UHFFFAOYSA-N 0 1 247.323 2.340 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc(Cl)o1 ZINC000668423360 487729396 /nfs/dbraw/zinc/72/93/96/487729396.db2.gz VZFCKUMVQYRNRQ-UHFFFAOYSA-N 0 1 225.679 2.288 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@@H](C)CCC ZINC000741776263 584953182 /nfs/dbraw/zinc/95/31/82/584953182.db2.gz AAKYQCWDRQHIFG-QWRGUYRKSA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cccc(F)c1F ZINC000674912387 487732343 /nfs/dbraw/zinc/73/23/43/487732343.db2.gz ABGYWGLRMUBPGI-SKDRFNHKSA-N 0 1 240.297 2.005 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@H]1CCCCN1C ZINC000681123653 487734747 /nfs/dbraw/zinc/73/47/47/487734747.db2.gz IEAZWOFLTSUYNF-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](C)C(C)C ZINC000741778212 585117653 /nfs/dbraw/zinc/11/76/53/585117653.db2.gz BQRVEEWPJSXVBT-WDEREUQCSA-N 0 1 215.337 2.304 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000054070340 487761825 /nfs/dbraw/zinc/76/18/25/487761825.db2.gz OYMRWHZQNLXRRJ-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN FC1(CNc2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000666236525 487766901 /nfs/dbraw/zinc/76/69/01/487766901.db2.gz SMUGXBLLSSGIOR-UHFFFAOYSA-N 0 1 249.245 2.206 20 0 BEADMN CC[C@H](C(=O)N1CCc2ccc(C)cc21)N(C)C ZINC000675719670 487769894 /nfs/dbraw/zinc/76/98/94/487769894.db2.gz DJIWHLFMPXNYEF-CYBMUJFWSA-N 0 1 246.354 2.224 20 0 BEADMN CC1(C)CN(Cc2ccc(CO)o2)CCS1 ZINC000093504479 487771585 /nfs/dbraw/zinc/77/15/85/487771585.db2.gz VBNPKXWMYXMENY-UHFFFAOYSA-N 0 1 241.356 2.099 20 0 BEADMN C[C@@H](C(=O)NCCCC1CCCCC1)N(C)C ZINC000674286218 487776595 /nfs/dbraw/zinc/77/65/95/487776595.db2.gz GHWKHGWFYKWEIF-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)CCOC1CCN(CCF)CC1 ZINC000759328986 585367310 /nfs/dbraw/zinc/36/73/10/585367310.db2.gz VOQRRJFSZOZBJO-UHFFFAOYSA-N 0 1 217.328 2.483 20 0 BEADMN CC[C@@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000187727531 487792969 /nfs/dbraw/zinc/79/29/69/487792969.db2.gz CVALLJVKTWZBRL-IAQYHMDHSA-N 0 1 231.405 2.408 20 0 BEADMN C[C@H]1C[C@H](NC2CC3(CCC3)C2)c2ncnn21 ZINC000668469360 487793849 /nfs/dbraw/zinc/79/38/49/487793849.db2.gz VCGKLHVYUNZEEZ-ONGXEEELSA-N 0 1 232.331 2.206 20 0 BEADMN COCCC1CN(Cc2cc3cnccc3o2)C1 ZINC000668471833 487795788 /nfs/dbraw/zinc/79/57/88/487795788.db2.gz MVAVVWNXOKYZPY-UHFFFAOYSA-N 0 1 246.310 2.296 20 0 BEADMN C[C@H]1SCC[C@H]1NCc1cscn1 ZINC000220647725 490073454 /nfs/dbraw/zinc/07/34/54/490073454.db2.gz KEKMSZHFCWYVAL-VXNVDRBHSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@@H](NCc1nccs1)[C@@H]1CC1(F)F ZINC000666444013 487796378 /nfs/dbraw/zinc/79/63/78/487796378.db2.gz AZEYVNNIXKXGFH-RQJHMYQMSA-N 0 1 218.272 2.276 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1ncc(C)s1 ZINC000672568576 487798620 /nfs/dbraw/zinc/79/86/20/487798620.db2.gz HZPZVHPWYXFSSJ-SECBINFHSA-N 0 1 228.361 2.044 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000071425000 487801315 /nfs/dbraw/zinc/80/13/15/487801315.db2.gz PIVUPROLDHRYGC-AWEZNQCLSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1cc(CN(C)CCC(C)C)nn1C ZINC000676037585 487802148 /nfs/dbraw/zinc/80/21/48/487802148.db2.gz DGEJOLJPNNVCHJ-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)n[nH]1 ZINC000681476794 487802584 /nfs/dbraw/zinc/80/25/84/487802584.db2.gz YWPDSFVHNIKITC-WCQYABFASA-N 0 1 235.331 2.017 20 0 BEADMN COC1([C@@H](C)N[C@@H](C)c2ncc[nH]2)CCC1 ZINC000414300202 487802890 /nfs/dbraw/zinc/80/28/90/487802890.db2.gz ILMCWUZKUHKHIX-VHSXEESVSA-N 0 1 223.320 2.018 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000651632717 487804682 /nfs/dbraw/zinc/80/46/82/487804682.db2.gz VAEALWLEJJIIQW-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN COC(=O)CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000592153367 487807331 /nfs/dbraw/zinc/80/73/31/487807331.db2.gz BHLGPOOWCJOVJG-RYUDHWBXSA-N 0 1 239.359 2.308 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191660 487818513 /nfs/dbraw/zinc/81/85/13/487818513.db2.gz WXZYIYNCMXONCG-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)c1 ZINC000668045064 487819374 /nfs/dbraw/zinc/81/93/74/487819374.db2.gz GMUYCYDTUFWFMZ-OCCSQVGLSA-N 0 1 249.354 2.349 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC(F)(F)C1 ZINC000313358624 487819552 /nfs/dbraw/zinc/81/95/52/487819552.db2.gz YEZFUTMTNVJWIE-UHFFFAOYSA-N 0 1 245.200 2.013 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C(C)(C)C1 ZINC000380399806 487822405 /nfs/dbraw/zinc/82/24/05/487822405.db2.gz NSBSVGAXXSEGKP-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN COC[C@H](C)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000075648088 487828858 /nfs/dbraw/zinc/82/88/58/487828858.db2.gz SKYKTYJFZCUHIO-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN CC1(C)CN[C@H]1c1nc(-c2cccs2)no1 ZINC000666571074 487833704 /nfs/dbraw/zinc/83/37/04/487833704.db2.gz XBCDRRZBTVAPAZ-QMMMGPOBSA-N 0 1 235.312 2.469 20 0 BEADMN CC[C@@H](C)N(C)Cc1cnnn1-c1ccccc1 ZINC000676300039 487833898 /nfs/dbraw/zinc/83/38/98/487833898.db2.gz ZREFHKHXZFGEJM-GFCCVEGCSA-N 0 1 244.342 2.498 20 0 BEADMN C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000666579399 487834665 /nfs/dbraw/zinc/83/46/65/487834665.db2.gz IKERUXBUEKKSND-KOLCDFICSA-N 0 1 239.340 2.228 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1c(C2CC2)cnn1C ZINC000668090784 487834773 /nfs/dbraw/zinc/83/47/73/487834773.db2.gz SCRKSZVXCQLIIY-UWVGGRQHSA-N 0 1 219.332 2.280 20 0 BEADMN CO[C@@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000681670969 487836190 /nfs/dbraw/zinc/83/61/90/487836190.db2.gz RIAQIBYLMSLPHP-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN O=C([O-])CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000676356677 487841786 /nfs/dbraw/zinc/84/17/86/487841786.db2.gz HFERWOXZLOYJRJ-LBPRGKRZSA-N 0 1 235.283 2.004 20 0 BEADMN CC(C)c1cccc(C(=O)NCc2cnc[nH]2)c1 ZINC000668995332 487844121 /nfs/dbraw/zinc/84/41/21/487844121.db2.gz LCCCPQNRILCLIM-UHFFFAOYSA-N 0 1 243.310 2.463 20 0 BEADMN COCCNCc1cc(F)ccc1OC(F)F ZINC000234629939 487845216 /nfs/dbraw/zinc/84/52/16/487845216.db2.gz VKDYPFKUUBYKJD-UHFFFAOYSA-N 0 1 249.232 2.163 20 0 BEADMN CCc1noc(CN2CC[C@H]3CCC[C@H]32)n1 ZINC000681710983 487847193 /nfs/dbraw/zinc/84/71/93/487847193.db2.gz ANEAUYGCNPKKPF-NXEZZACHSA-N 0 1 221.304 2.006 20 0 BEADMN CCCC(C)(C)C(=O)N1CCN2CCC1CC2 ZINC000651863654 487848180 /nfs/dbraw/zinc/84/81/80/487848180.db2.gz SBZOFHBBMDXUNJ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1[nH]n(CCCc2ccccc2)c(=O)c1C ZINC000109351649 487862405 /nfs/dbraw/zinc/86/24/05/487862405.db2.gz YKGAOTKNOWOKRV-NSHDSACASA-N 0 1 230.311 2.473 20 0 BEADMN Cc1[nH]n(CCCc2ccccc2)c(=O)c1C ZINC000109351646 487862447 /nfs/dbraw/zinc/86/24/47/487862447.db2.gz YKGAOTKNOWOKRV-LLVKDONJSA-N 0 1 230.311 2.473 20 0 BEADMN CC(C)C1CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000677119226 487870590 /nfs/dbraw/zinc/87/05/90/487870590.db2.gz FVCIEJREWTXWHC-UHFFFAOYSA-N 0 1 243.310 2.291 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC1=CCCC1 ZINC000401141128 487870311 /nfs/dbraw/zinc/87/03/11/487870311.db2.gz YPFXZTOIOBBNMW-AGIUHOORSA-N 0 1 235.327 2.282 20 0 BEADMN NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000085503226 322961518 /nfs/dbraw/zinc/96/15/18/322961518.db2.gz CECSFOPGNSJNAM-UHFFFAOYSA-N 0 1 221.643 2.298 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CCC ZINC000159779177 641698787 /nfs/dbraw/zinc/69/87/87/641698787.db2.gz LLFCKNBYOIJDMX-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1nnc(NC(=O)[C@@]2(C)CC=C(C)CC2)[nH]1 ZINC000668210894 487877538 /nfs/dbraw/zinc/87/75/38/487877538.db2.gz PIDZNNXMIGIRNZ-LBPRGKRZSA-N 0 1 234.303 2.188 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1ccc(CN)o1 ZINC000087047065 487881591 /nfs/dbraw/zinc/88/15/91/487881591.db2.gz FUHKCQLPRRTKAV-SECBINFHSA-N 0 1 224.304 2.047 20 0 BEADMN Cc1ccc(CN(C)CCOC(C)C)nc1 ZINC000676633215 487884380 /nfs/dbraw/zinc/88/43/80/487884380.db2.gz WAHXNSYVXJJFRW-UHFFFAOYSA-N 0 1 222.332 2.247 20 0 BEADMN Cc1noc([C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000247996955 487890536 /nfs/dbraw/zinc/89/05/36/487890536.db2.gz DIPACAQMJOVBTJ-RKDXNWHRSA-N 0 1 209.293 2.171 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)N1CC=CCC1)C(C)C ZINC000679323314 487903617 /nfs/dbraw/zinc/90/36/17/487903617.db2.gz HTIZUJMGNPDLKO-CYBMUJFWSA-N 0 1 238.375 2.282 20 0 BEADMN Cc1cc(CC(=O)N[C@@H](C)c2ccsc2)[nH]n1 ZINC000669900118 487912569 /nfs/dbraw/zinc/91/25/69/487912569.db2.gz DMQPVCANDXRMHI-VIFPVBQESA-N 0 1 249.339 2.200 20 0 BEADMN CC1CCC(O)(CNCc2nccs2)CC1 ZINC000083468489 487914148 /nfs/dbraw/zinc/91/41/48/487914148.db2.gz IJTLEADJDRLHFF-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1F ZINC000682163577 487920645 /nfs/dbraw/zinc/92/06/45/487920645.db2.gz AVHJCECWZCJEQV-UTUOFQBUSA-N 0 1 215.312 2.093 20 0 BEADMN CC(C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000083643612 487926153 /nfs/dbraw/zinc/92/61/53/487926153.db2.gz BFIBGWLIMZVBFZ-LBPRGKRZSA-N 0 1 219.284 2.079 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@@H](C)C1O ZINC000668555567 487927880 /nfs/dbraw/zinc/92/78/80/487927880.db2.gz ZOEJKLKVLGJFBA-RKDXNWHRSA-N 0 1 243.734 2.382 20 0 BEADMN Fc1ccc(CN2CCc3cn[nH]c3C2)c(F)c1 ZINC000676792026 487928400 /nfs/dbraw/zinc/92/84/00/487928400.db2.gz IRFTVEQNIPVDHU-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN Cc1nc2cccc(C(=O)NCCC3CC3)c2[nH]1 ZINC000283659068 487933442 /nfs/dbraw/zinc/93/34/42/487933442.db2.gz DPPJZPBIRBOLJQ-UHFFFAOYSA-N 0 1 243.310 2.401 20 0 BEADMN C[C@@H](O)CCNc1cc[nH+]c2c([O-])cccc12 ZINC000682241933 487933479 /nfs/dbraw/zinc/93/34/79/487933479.db2.gz RNUDSZSTVFUSCH-SECBINFHSA-N 0 1 232.283 2.123 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H](CC)C(C)C)n1 ZINC000182282142 487938416 /nfs/dbraw/zinc/93/84/16/487938416.db2.gz XTONGOABCPGASL-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCc1nnc(NC(=O)C[C@H](CC)C(C)C)[nH]1 ZINC000182282142 487938410 /nfs/dbraw/zinc/93/84/10/487938410.db2.gz XTONGOABCPGASL-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)C1 ZINC000669079198 487940785 /nfs/dbraw/zinc/94/07/85/487940785.db2.gz LADHVORVOVABGO-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000652392980 487942862 /nfs/dbraw/zinc/94/28/62/487942862.db2.gz PEYYVNUTZCXONH-LBPRGKRZSA-N 0 1 235.258 2.213 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@@H+]1CC=CCC1 ZINC000652392980 487942867 /nfs/dbraw/zinc/94/28/67/487942867.db2.gz PEYYVNUTZCXONH-LBPRGKRZSA-N 0 1 235.258 2.213 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC000083854675 487947731 /nfs/dbraw/zinc/94/77/31/487947731.db2.gz ZSWPMUPCOYWOJR-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854698 487948044 /nfs/dbraw/zinc/94/80/44/487948044.db2.gz LJBKLTXSQYJECN-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](C1CCCCC1)N(C)C(=O)[C@H](C)N(C)C ZINC000669940759 487948567 /nfs/dbraw/zinc/94/85/67/487948567.db2.gz SEZMHQVRBKWUHH-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)[C@@H](C)O1 ZINC000682408240 487951795 /nfs/dbraw/zinc/95/17/95/487951795.db2.gz ZHJXDHYJGHUWNF-IJLUTSLNSA-N 0 1 235.327 2.390 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)CCC(=O)N2 ZINC000557482860 322938127 /nfs/dbraw/zinc/93/81/27/322938127.db2.gz WYBLRDJFQKSUKR-SECBINFHSA-N 0 1 236.290 2.191 20 0 BEADMN C[C@H](CC1CC1)N[C@@H](C)c1csnn1 ZINC000398324677 323000497 /nfs/dbraw/zinc/00/04/97/323000497.db2.gz KMUKBSMHHWJUBP-SFYZADRCSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1cscn1 ZINC000300360090 322995465 /nfs/dbraw/zinc/99/54/65/322995465.db2.gz SZCFTFKSDSIUSB-XRNSZHNASA-N 0 1 238.356 2.361 20 0 BEADMN C[C@@H](N[C@@H](C)CC1CC1)c1csnn1 ZINC000398324673 323000580 /nfs/dbraw/zinc/00/05/80/323000580.db2.gz KMUKBSMHHWJUBP-JGVFFNPUSA-N 0 1 211.334 2.377 20 0 BEADMN COc1cc(C)ccc1CNCc1cnn(C)c1 ZINC000151030174 323005762 /nfs/dbraw/zinc/00/57/62/323005762.db2.gz LKUPYUJGMFDXIE-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@H](O)C1)c1cscn1 ZINC000127870913 323005903 /nfs/dbraw/zinc/00/59/03/323005903.db2.gz ZSELVWXDCJSKJB-DCAQKATOSA-N 0 1 240.372 2.345 20 0 BEADMN CC(C)CN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128140205 323006336 /nfs/dbraw/zinc/00/63/36/323006336.db2.gz RQEFBUCIJLZOJQ-SNVBAGLBSA-N 0 1 238.297 2.211 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1ncc(-c2ccccc2)o1 ZINC000566792458 323014484 /nfs/dbraw/zinc/01/44/84/323014484.db2.gz XQOLRMSBTHWZJJ-WDEREUQCSA-N 0 1 246.310 2.201 20 0 BEADMN COC[C@H](N[C@H](C)c1ccoc1)[C@@H]1CCCO1 ZINC000562425527 323019481 /nfs/dbraw/zinc/01/94/81/323019481.db2.gz FGVLXNGDYHNHGI-WXHSDQCUSA-N 0 1 239.315 2.124 20 0 BEADMN C[C@H](N[C@@H]1CCCC1(C)C)c1nccc(N)n1 ZINC000562442139 323020071 /nfs/dbraw/zinc/02/00/71/323020071.db2.gz KHEKJQKLUFYQRS-VHSXEESVSA-N 0 1 234.347 2.118 20 0 BEADMN C[C@H](N[C@H]1CCCC1(C)C)c1nccc(N)n1 ZINC000562442138 323020089 /nfs/dbraw/zinc/02/00/89/323020089.db2.gz KHEKJQKLUFYQRS-UWVGGRQHSA-N 0 1 234.347 2.118 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(F)c(C)c2)n[nH]1 ZINC000151657683 323022229 /nfs/dbraw/zinc/02/22/29/323022229.db2.gz POHISXDPHUHCCJ-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000562679148 323027408 /nfs/dbraw/zinc/02/74/08/323027408.db2.gz OVQHSNVHZFEGJY-GFCCVEGCSA-N 0 1 219.332 2.489 20 0 BEADMN C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CC2)no1 ZINC000562685609 323027704 /nfs/dbraw/zinc/02/77/04/323027704.db2.gz QNOQAJBQWZWYET-OUAUKWLOSA-N 0 1 233.315 2.225 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC1CCCCCC1 ZINC000562763740 323030118 /nfs/dbraw/zinc/03/01/18/323030118.db2.gz FJKPHBAPNDDHTE-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000562852853 323032049 /nfs/dbraw/zinc/03/20/49/323032049.db2.gz AZSBCOUCBYJUEP-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(C)cc2F)n[nH]1 ZINC000151902263 323033005 /nfs/dbraw/zinc/03/30/05/323033005.db2.gz NBHYUTRPBWRUKV-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN C[C@H](CC(F)F)c1nc(C2(N)CCC2)no1 ZINC000572601611 323035633 /nfs/dbraw/zinc/03/56/33/323035633.db2.gz VHJUBNBAVRCCHZ-ZCFIWIBFSA-N 0 1 231.246 2.166 20 0 BEADMN CCN(CC(=O)N(C)[C@H](C)C1(C)CC1)C1CC1 ZINC000153484497 323051761 /nfs/dbraw/zinc/05/17/61/323051761.db2.gz VYPIOAAUUXKLDX-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000159992209 323057027 /nfs/dbraw/zinc/05/70/27/323057027.db2.gz XDTDAYJGOCFRBG-AOOOYVTPSA-N 0 1 235.283 2.210 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@]1(C)CC=CCC1 ZINC000570460350 323060373 /nfs/dbraw/zinc/06/03/73/323060373.db2.gz SEHBLGVHILZSQL-BXUZGUMPSA-N 0 1 247.342 2.203 20 0 BEADMN CCC(CC)[N@@H+](CCOCC(=O)[O-])CC(C)C ZINC000570576529 323063311 /nfs/dbraw/zinc/06/33/11/323063311.db2.gz FSFHZYBCSAQOQY-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000160602782 323073527 /nfs/dbraw/zinc/07/35/27/323073527.db2.gz GAHXUILYLJEETD-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN CC1(C)C[C@H](NCc2noc3ccccc32)CO1 ZINC000570942484 323076124 /nfs/dbraw/zinc/07/61/24/323076124.db2.gz RJAXLGORBACPIP-JTQLQIEISA-N 0 1 246.310 2.485 20 0 BEADMN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccco1 ZINC000053557303 323077083 /nfs/dbraw/zinc/07/70/83/323077083.db2.gz BTFQKSZEPHLADQ-NEPJUHHUSA-N 0 1 239.315 2.126 20 0 BEADMN F[C@H]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000563053622 323083019 /nfs/dbraw/zinc/08/30/19/323083019.db2.gz LEALLGGACSDSFX-JGVFFNPUSA-N 0 1 235.266 2.046 20 0 BEADMN Cc1ccccc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936220 323088619 /nfs/dbraw/zinc/08/86/19/323088619.db2.gz FTPRENGSQUKHNV-CQSZACIVSA-N 0 1 233.311 2.292 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C)[C@H]2CCCC[C@@H]12 ZINC000531416538 323088985 /nfs/dbraw/zinc/08/89/85/323088985.db2.gz MKOWLUAPCGJCSV-AGIUHOORSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563125999 323094229 /nfs/dbraw/zinc/09/42/29/323094229.db2.gz RQINHHZYSPYPBZ-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1cccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000187420676 323103717 /nfs/dbraw/zinc/10/37/17/323103717.db2.gz JQYQFFLJDUQOFN-GXTWGEPZSA-N 0 1 246.354 2.081 20 0 BEADMN CC1(CO)CN(Cc2ccnc3ccccc23)C1 ZINC000571023924 323104018 /nfs/dbraw/zinc/10/40/18/323104018.db2.gz BNQWDVCOAQJXNF-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000571054215 323105733 /nfs/dbraw/zinc/10/57/33/323105733.db2.gz RTHKVFAZGDMWTL-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](O)[C@@H](NCc1cc[nH]c1)c1ccccc1F ZINC000563256540 323107003 /nfs/dbraw/zinc/10/70/03/323107003.db2.gz RZJGBUBIGUGJEL-QMTHXVAHSA-N 0 1 248.301 2.366 20 0 BEADMN CC1=CC[N@@H+]([C@H](CC(C)C)C(=O)[O-])CC1 ZINC000563280552 323108013 /nfs/dbraw/zinc/10/80/13/323108013.db2.gz XRRJCKKSQSGRIG-LLVKDONJSA-N 0 1 211.305 2.138 20 0 BEADMN CS[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000563281565 323108060 /nfs/dbraw/zinc/10/80/60/323108060.db2.gz COLMPGMVKWXFJM-MNOVXSKESA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000563283103 323108397 /nfs/dbraw/zinc/10/83/97/323108397.db2.gz OKSRVWDCSQXCDU-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1=CCCCC1 ZINC000563289225 323108707 /nfs/dbraw/zinc/10/87/07/323108707.db2.gz QDCSGHOWNRHQJB-ZYHUDNBSSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1ccc(CC[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000563289927 323108932 /nfs/dbraw/zinc/10/89/32/323108932.db2.gz SENPIZPOKYFHKT-JSGCOSHPSA-N 0 1 247.338 2.333 20 0 BEADMN COc1ccc(C)cc1CSc1cn[nH]n1 ZINC000531559350 323109975 /nfs/dbraw/zinc/10/99/75/323109975.db2.gz ITFVJOOPVZNPTA-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN Cc1nsc(C)c1CN[C@H](C)c1cn[nH]c1 ZINC000563353652 323120410 /nfs/dbraw/zinc/12/04/10/323120410.db2.gz KQBPAGGDDQDLQY-SSDOTTSWSA-N 0 1 236.344 2.334 20 0 BEADMN CC(C)CN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CC1 ZINC000563372091 323121771 /nfs/dbraw/zinc/12/17/71/323121771.db2.gz UVTIKYLRNJWAJB-NSHDSACASA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)[C@H](C)CNC(=O)CN1CCC(C)(C)C1 ZINC000563383651 323122054 /nfs/dbraw/zinc/12/20/54/323122054.db2.gz CKIYANBUGRDRQZ-GFCCVEGCSA-N 0 1 240.391 2.127 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000563454289 323127189 /nfs/dbraw/zinc/12/71/89/323127189.db2.gz DLFLJPIXGNBSJJ-PWSUYJOCSA-N 0 1 249.310 2.133 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543379 323129683 /nfs/dbraw/zinc/12/96/83/323129683.db2.gz USAMEFCIDVJQSF-PSASIEDQSA-N 0 1 225.313 2.216 20 0 BEADMN Cc1cccnc1C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000563638603 323133299 /nfs/dbraw/zinc/13/32/99/323133299.db2.gz UOUIQELFVRVJSA-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN COc1cccc(SCCc2c[nH]nn2)c1 ZINC000571146607 323136401 /nfs/dbraw/zinc/13/64/01/323136401.db2.gz KDIJZPUZLAFNOF-UHFFFAOYSA-N 0 1 235.312 2.148 20 0 BEADMN Cc1nnsc1CN(CC(C)C)C1CC1 ZINC000571169674 323137450 /nfs/dbraw/zinc/13/74/50/323137450.db2.gz NJRXKLNVIUSVNF-UHFFFAOYSA-N 0 1 225.361 2.467 20 0 BEADMN CSC[C@@H]1CCCN1Cc1snnc1C ZINC000571266452 323139769 /nfs/dbraw/zinc/13/97/69/323139769.db2.gz NNNLNPRVVIYRRP-VIFPVBQESA-N 0 1 243.401 2.174 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)n1 ZINC000571411194 323144124 /nfs/dbraw/zinc/14/41/24/323144124.db2.gz VUMORIAXSRMQIQ-CYBMUJFWSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1ccncc1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000571571812 323148159 /nfs/dbraw/zinc/14/81/59/323148159.db2.gz XHIJHTPAUKNJAN-LLVKDONJSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@H](C)[C@@H](C)N(Cc1nncn1C)C1CC1 ZINC000111226701 323158119 /nfs/dbraw/zinc/15/81/19/323158119.db2.gz BPUZLBQTJPSGKR-WDEREUQCSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2nncn2C)[C@@H]2CCCC[C@H]12 ZINC000534809746 323160929 /nfs/dbraw/zinc/16/09/29/323160929.db2.gz FPLGZPWOXPVLRV-JHJVBQTASA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2nncn2C)[C@@H]2CCCC[C@H]12 ZINC000534809746 323160930 /nfs/dbraw/zinc/16/09/30/323160930.db2.gz FPLGZPWOXPVLRV-JHJVBQTASA-N 0 1 248.374 2.216 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000535080606 323165916 /nfs/dbraw/zinc/16/59/16/323165916.db2.gz BBWHJZYKWIAGOB-VIFPVBQESA-N 0 1 240.372 2.487 20 0 BEADMN C[C@H](NCc1ccccc1CO)c1cccnc1 ZINC000305136538 323167432 /nfs/dbraw/zinc/16/74/32/323167432.db2.gz UCMGZRSQSNDZPU-LBPRGKRZSA-N 0 1 242.322 2.425 20 0 BEADMN CC(C)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000532038726 323168917 /nfs/dbraw/zinc/16/89/17/323168917.db2.gz JAVQWLIBHZSTBF-NSHDSACASA-N 0 1 235.331 2.425 20 0 BEADMN CN(CC(=O)c1cccn1C)CC1CCCC1 ZINC000070158343 323169677 /nfs/dbraw/zinc/16/96/77/323169677.db2.gz FYWRUJOZBVYVPF-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CCSCCNCc1ncc(C)s1 ZINC000308435854 323174677 /nfs/dbraw/zinc/17/46/77/323174677.db2.gz WHHPNBXXTNZEBC-UHFFFAOYSA-N 0 1 216.375 2.294 20 0 BEADMN CC/C(C)=C\c1nc(C2(N)CCC2)no1 ZINC000563810081 323178436 /nfs/dbraw/zinc/17/84/36/323178436.db2.gz HMBWQBJNJUQGSK-FPLPWBNLSA-N 0 1 207.277 2.221 20 0 BEADMN CC(C)C[N@@H+](CCCCCF)CC(=O)[O-] ZINC000308898258 323181210 /nfs/dbraw/zinc/18/12/10/323181210.db2.gz AYIYMKXMOGXQDP-UHFFFAOYSA-N 0 1 219.300 2.169 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000216517583 323183749 /nfs/dbraw/zinc/18/37/49/323183749.db2.gz LDOHOIISFDXMQQ-KXUCPTDWSA-N 0 1 231.361 2.066 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1Cc1nncn1C ZINC000535567832 323185805 /nfs/dbraw/zinc/18/58/05/323185805.db2.gz WFKBSXGUWGDXAJ-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN FC1(F)CCC[C@H]1CNCc1cocn1 ZINC000395102788 323187090 /nfs/dbraw/zinc/18/70/90/323187090.db2.gz JJMMEOCCUUNHME-QMMMGPOBSA-N 0 1 216.231 2.200 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000094122518 323188030 /nfs/dbraw/zinc/18/80/30/323188030.db2.gz FCBHDRVDKNLTEA-KCJUWKMLSA-N 0 1 237.274 2.450 20 0 BEADMN C[C@@H]1CCN(Cc2cnnn2C)[C@H]2CCCC[C@H]12 ZINC000536639894 323199221 /nfs/dbraw/zinc/19/92/21/323199221.db2.gz XZKXIWYBNLXAKW-BNOWGMLFSA-N 0 1 248.374 2.216 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CC23CCCCC3)[nH]1 ZINC000532167713 323208240 /nfs/dbraw/zinc/20/82/40/323208240.db2.gz QDXANIVMARMVFL-VIFPVBQESA-N 0 1 234.303 2.022 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CC23CCCCC3)[nH]1 ZINC000532167707 323208380 /nfs/dbraw/zinc/20/83/80/323208380.db2.gz QDXANIVMARMVFL-SECBINFHSA-N 0 1 234.303 2.022 20 0 BEADMN CC[C@@H](COC)NCc1c(F)cccc1F ZINC000070657923 323215407 /nfs/dbraw/zinc/21/54/07/323215407.db2.gz ZOQWTNLCWRSHQJ-VIFPVBQESA-N 0 1 229.270 2.479 20 0 BEADMN CC/C=C/CCN[C@@H](C)c1nnc(C)o1 ZINC000309089103 323315513 /nfs/dbraw/zinc/31/55/13/323315513.db2.gz BNWIKUWZOWQOHA-CYNONHLPSA-N 0 1 209.293 2.385 20 0 BEADMN CC[C@@]1(C)CCN([C@@H](C)c2nccc(N)n2)C1 ZINC000565156394 323326307 /nfs/dbraw/zinc/32/63/07/323326307.db2.gz IJDZGCZBGMTKKT-GWCFXTLKSA-N 0 1 234.347 2.072 20 0 BEADMN Cc1ccc(CNC(=O)CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000547770498 323344828 /nfs/dbraw/zinc/34/48/28/323344828.db2.gz IKXVZWMBEHXHPX-STQMWFEESA-N 0 1 246.354 2.094 20 0 BEADMN CCC[C@@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000564004505 323348185 /nfs/dbraw/zinc/34/81/85/323348185.db2.gz JTECVKSGEALFTA-SNVBAGLBSA-N 0 1 208.305 2.408 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000564004505 323348190 /nfs/dbraw/zinc/34/81/90/323348190.db2.gz JTECVKSGEALFTA-SNVBAGLBSA-N 0 1 208.305 2.408 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)[C@@H]1CC12CC2 ZINC000527906599 323715943 /nfs/dbraw/zinc/71/59/43/323715943.db2.gz ZKYQLLCMCUMSJK-IUCAKERBSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)Sc1nc(-c2cccnc2)n[nH]1 ZINC000059885139 324020892 /nfs/dbraw/zinc/02/08/92/324020892.db2.gz VSXWKGFMMQWCTJ-UHFFFAOYSA-N 0 1 220.301 2.367 20 0 BEADMN COC[C@H](N[C@H]1CCSC1)c1ccc(C)o1 ZINC000122292914 324033989 /nfs/dbraw/zinc/03/39/89/324033989.db2.gz GNMAWHNUOBQOGM-QWRGUYRKSA-N 0 1 241.356 2.371 20 0 BEADMN Cc1ccc(NC(=O)c2ccc(F)cc2O)nc1 ZINC000123216153 324101990 /nfs/dbraw/zinc/10/19/90/324101990.db2.gz BUTUHEPLHYUBHY-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1ccnc(NC(=O)c2ccc(F)cc2O)c1 ZINC000123216616 324102027 /nfs/dbraw/zinc/10/20/27/324102027.db2.gz UZLXSSTZVFDCDZ-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1cccnc1CCNCc1cscn1 ZINC000404959759 324166968 /nfs/dbraw/zinc/16/69/68/324166968.db2.gz ZYAGTOUVBHKUBW-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1cccc(Cl)c1 ZINC000192786807 324199856 /nfs/dbraw/zinc/19/98/56/324199856.db2.gz BVGAYUGKQAKWQC-SECBINFHSA-N 0 1 240.734 2.079 20 0 BEADMN Cc1ncc(CNC[C@H]2CC[N@H+]2C2CCCC2)o1 ZINC000529669760 324374951 /nfs/dbraw/zinc/37/49/51/324374951.db2.gz PDECFCPCILIDJX-CYBMUJFWSA-N 0 1 249.358 2.090 20 0 BEADMN O=C(NCC1CC=CC1)c1n[nH]c2ccccc21 ZINC000529715032 324389834 /nfs/dbraw/zinc/38/98/34/324389834.db2.gz VXNPQVKQEZVCEI-UHFFFAOYSA-N 0 1 241.294 2.259 20 0 BEADMN Cc1ncc([C@@H](C)N2CCCO[C@@H](C)C2)c(C)n1 ZINC000682438360 487963883 /nfs/dbraw/zinc/96/38/83/487963883.db2.gz BZXQMIMVRDGBQW-CMPLNLGQSA-N 0 1 249.358 2.265 20 0 BEADMN CC[C@@H](O)CCCN[C@@H](C)c1cscn1 ZINC000130197756 325023111 /nfs/dbraw/zinc/02/31/11/325023111.db2.gz BIFINKSJLDNJIA-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN c1ccc([C@@H](NC2CC2)c2cncnc2)cc1 ZINC000542670510 325040396 /nfs/dbraw/zinc/04/03/96/325040396.db2.gz LEUJQXFFCNCDEZ-CQSZACIVSA-N 0 1 225.295 2.318 20 0 BEADMN CCc1cnc(CN[C@H](COC)C2CC2)s1 ZINC000130681171 325080098 /nfs/dbraw/zinc/08/00/98/325080098.db2.gz VUXNIYVYUCXWDH-LLVKDONJSA-N 0 1 240.372 2.220 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2ccccc2)o1 ZINC000543544168 325093109 /nfs/dbraw/zinc/09/31/09/325093109.db2.gz VWLFHFYBIZMCTF-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN COc1ccccc1[C@H](CO)N[C@@H]1C=CCCC1 ZINC000543840577 325116890 /nfs/dbraw/zinc/11/68/90/325116890.db2.gz WEIZTMHMSMUALA-OCCSQVGLSA-N 0 1 247.338 2.427 20 0 BEADMN Cc1[nH]ncc1CNc1cccc2c1OCO2 ZINC000543873690 325119950 /nfs/dbraw/zinc/11/99/50/325119950.db2.gz BJYUNXJGZKXVQS-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC1 ZINC000132189166 325203794 /nfs/dbraw/zinc/20/37/94/325203794.db2.gz UJRPNXXPZVIKHM-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN COc1cc2c(cc1CN1CCC1(C)C)OCO2 ZINC000545560830 325228978 /nfs/dbraw/zinc/22/89/78/325228978.db2.gz OEPNGXHVFNYMPB-UHFFFAOYSA-N 0 1 249.310 2.408 20 0 BEADMN CC[C@@]1(C)C[C@H]1C(=O)NCCCc1cn[nH]c1C ZINC000132700831 325239539 /nfs/dbraw/zinc/23/95/39/325239539.db2.gz UFWVIVINRJGEQR-JSGCOSHPSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564294897 325240380 /nfs/dbraw/zinc/24/03/80/325240380.db2.gz LRZPPKGZYDHNAI-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564294897 325240381 /nfs/dbraw/zinc/24/03/81/325240381.db2.gz LRZPPKGZYDHNAI-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN CCCC[C@H](CCC)Nc1ccncc1C(N)=O ZINC000545871910 325240513 /nfs/dbraw/zinc/24/05/13/325240513.db2.gz UVBFDIGBVDPPOD-NSHDSACASA-N 0 1 249.358 2.373 20 0 BEADMN Cc1ccncc1CNC(C)(C)c1cnn(C)c1 ZINC000546000769 325256612 /nfs/dbraw/zinc/25/66/12/325256612.db2.gz JLYVPOXDELFQFC-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN Cc1cc(CC(=O)Nc2cc(F)ccc2C)n[nH]1 ZINC000133233700 325278965 /nfs/dbraw/zinc/27/89/65/325278965.db2.gz JFKWOHOLLKWWQO-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CC(C)OC1CCN([C@H](C)c2cnccn2)CC1 ZINC000546636455 325296567 /nfs/dbraw/zinc/29/65/67/325296567.db2.gz FXCQALWUPZXIDY-GFCCVEGCSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)n[nH]1 ZINC000133479964 325296888 /nfs/dbraw/zinc/29/68/88/325296888.db2.gz IZHVAPJLAPLECO-GXSJLCMTSA-N 0 1 235.331 2.369 20 0 BEADMN CN(CC(=O)NCC1CCCCC1)C1CCC1 ZINC000075842710 325317619 /nfs/dbraw/zinc/31/76/19/325317619.db2.gz XASIMUWNQBHGED-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC1CC1 ZINC000077194453 325368922 /nfs/dbraw/zinc/36/89/22/325368922.db2.gz JMAPRFWABDCTIX-CQSZACIVSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cc(OCc2cncn2C)cc(C)n1 ZINC000547814446 325402764 /nfs/dbraw/zinc/40/27/64/325402764.db2.gz RNZSLGSJHYXHTI-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000083934918 487967726 /nfs/dbraw/zinc/96/77/26/487967726.db2.gz MUSNGUREISUGGX-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1noc(CN[C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000250832919 325669875 /nfs/dbraw/zinc/66/98/75/325669875.db2.gz FCFBMOXVRIDPRW-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](COC)c1ccccc1 ZINC000554373500 325716226 /nfs/dbraw/zinc/71/62/26/325716226.db2.gz HSPVVFCITFDWTM-MELADBBJSA-N 0 1 235.327 2.141 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](COC)c1ccccc1 ZINC000554373498 325716514 /nfs/dbraw/zinc/71/65/14/325716514.db2.gz HSPVVFCITFDWTM-BFHYXJOUSA-N 0 1 235.327 2.141 20 0 BEADMN CC1(CN2CCN(Cc3ccco3)CC2)CC1 ZINC000565869039 325966593 /nfs/dbraw/zinc/96/65/93/325966593.db2.gz NNRXUZZHZDLSST-UHFFFAOYSA-N 0 1 234.343 2.197 20 0 BEADMN CC(C)C(NC(=O)CN1CC[C@H](C)C1)C(C)C ZINC000654928015 487971134 /nfs/dbraw/zinc/97/11/34/487971134.db2.gz SUYKWIXGOLWOGV-LBPRGKRZSA-N 0 1 240.391 2.125 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000566357569 326035974 /nfs/dbraw/zinc/03/59/74/326035974.db2.gz CEVAKMQGDIQFGT-CYBMUJFWSA-N 0 1 245.322 2.341 20 0 BEADMN CC[N@@H+](CCOC1CCCCCC1)CC(=O)[O-] ZINC000566361137 326036830 /nfs/dbraw/zinc/03/68/30/326036830.db2.gz GPMFAUCCDHBWAP-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000566359039 326036958 /nfs/dbraw/zinc/03/69/58/326036958.db2.gz CLNNFGPWUIWWBJ-XBFCOCLRSA-N 0 1 247.338 2.443 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000566362676 326037658 /nfs/dbraw/zinc/03/76/58/326037658.db2.gz WGCXZYDVZROSHC-GFCCVEGCSA-N 0 1 223.316 2.283 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566432992 326046356 /nfs/dbraw/zinc/04/63/56/326046356.db2.gz NPXRTAZYPYALBJ-NSHDSACASA-N 0 1 237.347 2.093 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566432991 326046369 /nfs/dbraw/zinc/04/63/69/326046369.db2.gz NPXRTAZYPYALBJ-LLVKDONJSA-N 0 1 237.347 2.093 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000566444563 326048377 /nfs/dbraw/zinc/04/83/77/326048377.db2.gz HXNRVTNMNSBVHW-GRYCIOLGSA-N 0 1 249.358 2.235 20 0 BEADMN CCC(CC)(CNCc1nc(C)c(C)[nH]1)OC ZINC000566499032 326059201 /nfs/dbraw/zinc/05/92/01/326059201.db2.gz LFZGHZGIOGNFLF-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN CCCOc1ccc(CN2CC(CCO)C2)cc1 ZINC000566548096 326061655 /nfs/dbraw/zinc/06/16/55/326061655.db2.gz XNAIIELNPJNWJC-UHFFFAOYSA-N 0 1 249.354 2.290 20 0 BEADMN c1nnc([C@@H](N[C@H]2CC23CC3)c2ccccc2)[nH]1 ZINC000566614720 326067728 /nfs/dbraw/zinc/06/77/28/326067728.db2.gz KTDFIDALVMHCEA-RYUDHWBXSA-N 0 1 240.310 2.036 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000566670524 326072426 /nfs/dbraw/zinc/07/24/26/326072426.db2.gz GYUISNPWASUAFI-AVGNSLFASA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](C)C(F)(F)F ZINC000566683357 326074145 /nfs/dbraw/zinc/07/41/45/326074145.db2.gz AGCUXPGOWPPRLO-JGVFFNPUSA-N 0 1 241.253 2.370 20 0 BEADMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000566860248 326089416 /nfs/dbraw/zinc/08/94/16/326089416.db2.gz ISRJIPXGQZCSIW-AAEUAGOBSA-N 0 1 248.326 2.329 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@@H](C)C1 ZINC000566920678 326094364 /nfs/dbraw/zinc/09/43/64/326094364.db2.gz QDGDKNZVBMZZRF-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1cccnc1 ZINC000566920120 326094679 /nfs/dbraw/zinc/09/46/79/326094679.db2.gz HKOSNXBDNCQSSC-ZYHUDNBSSA-N 0 1 248.326 2.328 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1=CCCC1 ZINC000153654757 326105535 /nfs/dbraw/zinc/10/55/35/326105535.db2.gz VGJREBDBLUSOJD-UHFFFAOYSA-N 0 1 228.255 2.007 20 0 BEADMN CC1(CN2CCc3ncsc3C2)CC1 ZINC000567209710 326137455 /nfs/dbraw/zinc/13/74/55/326137455.db2.gz XVTOPNLSWHHIHD-UHFFFAOYSA-N 0 1 208.330 2.301 20 0 BEADMN CC(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000567288461 326156337 /nfs/dbraw/zinc/15/63/37/326156337.db2.gz PWBUDCGVFKXSKT-NWDGAFQWSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1noc(CN[C@H]2CC3CCC2CC3)n1 ZINC000309531949 326158145 /nfs/dbraw/zinc/15/81/45/326158145.db2.gz AAHHWKKLSHWCLX-ILDUYXDCSA-N 0 1 221.304 2.046 20 0 BEADMN CN(Cc1nc(N)c2ccccc2n1)C(C)(C)C ZINC000567350029 326171127 /nfs/dbraw/zinc/17/11/27/326171127.db2.gz OADXRUGBGHREHC-UHFFFAOYSA-N 0 1 244.342 2.273 20 0 BEADMN Cc1cccc2nc(CNC(=O)CC3CC3)[nH]c21 ZINC000154905394 326172146 /nfs/dbraw/zinc/17/21/46/326172146.db2.gz RAIRUQAYOWHDDH-UHFFFAOYSA-N 0 1 243.310 2.288 20 0 BEADMN COCc1cnc(CNC2(C3CC3)CC2)s1 ZINC000309869951 326172914 /nfs/dbraw/zinc/17/29/14/326172914.db2.gz QEEXDPFJNAVPIV-UHFFFAOYSA-N 0 1 238.356 2.322 20 0 BEADMN Cc1nnsc1CN(C)C1CC(C)(C)C1 ZINC000567475499 326200170 /nfs/dbraw/zinc/20/01/70/326200170.db2.gz MBLNXDLQRJKWIZ-UHFFFAOYSA-N 0 1 225.361 2.467 20 0 BEADMN C[C@@H](O)CCNCc1coc(-c2ccccc2)n1 ZINC000156133075 326220091 /nfs/dbraw/zinc/22/00/91/326220091.db2.gz MOORVUNWORNKCB-LLVKDONJSA-N 0 1 246.310 2.202 20 0 BEADMN Cc1cccc(N2CCC[C@](C)(C(=O)[O-])C2)[nH+]1 ZINC000567592050 326224690 /nfs/dbraw/zinc/22/46/90/326224690.db2.gz LDAXHEWOYGKWOM-ZDUSSCGKSA-N 0 1 234.299 2.081 20 0 BEADMN CC[C@]1(C)COCCN1CCc1ccncc1C ZINC000567608900 326227922 /nfs/dbraw/zinc/22/79/22/326227922.db2.gz UHRNYRGZJWHAAF-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN CC(F)(F)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000567620212 326230482 /nfs/dbraw/zinc/23/04/82/326230482.db2.gz UQUFJQHQYCJMTL-JTQLQIEISA-N 0 1 235.274 2.218 20 0 BEADMN CCC(C)(C)[C@H]1CCCN1Cc1ncnn1C ZINC000156937912 326249895 /nfs/dbraw/zinc/24/98/95/326249895.db2.gz CKUQKVRWHFNALC-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)O[C@@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000567789770 326258467 /nfs/dbraw/zinc/25/84/67/326258467.db2.gz DADMZGIICPHXOF-NWDGAFQWSA-N 0 1 235.331 2.037 20 0 BEADMN CCSCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000568063392 326302642 /nfs/dbraw/zinc/30/26/42/326302642.db2.gz FESFAECTCKVHRA-SNVBAGLBSA-N 0 1 233.377 2.171 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000568064304 326303016 /nfs/dbraw/zinc/30/30/16/326303016.db2.gz ADCPOQAXUZQMFJ-NSHDSACASA-N 0 1 213.321 2.218 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000568205153 326325890 /nfs/dbraw/zinc/32/58/90/326325890.db2.gz FWXOMUSIAJPEGE-JTQLQIEISA-N 0 1 237.347 2.141 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CC1CCC1 ZINC000568290544 326342076 /nfs/dbraw/zinc/34/20/76/326342076.db2.gz LVOUWNASXCZDSX-SCVCMEIPSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)SCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000568292401 326342231 /nfs/dbraw/zinc/34/22/31/326342231.db2.gz LWFKZMOHUHFGAR-SNVBAGLBSA-N 0 1 245.388 2.456 20 0 BEADMN CCC[C@@H](NCC[N@H+](C)CC)c1ccccn1 ZINC000158825704 326344051 /nfs/dbraw/zinc/34/40/51/326344051.db2.gz PDUVRBHCTSRWSE-CYBMUJFWSA-N 0 1 235.375 2.464 20 0 BEADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000568404553 326354690 /nfs/dbraw/zinc/35/46/90/326354690.db2.gz YZMBZTQNNSRYNL-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)C1=CCCCC1 ZINC000568552095 326364807 /nfs/dbraw/zinc/36/48/07/326364807.db2.gz YWSSGBQDYLDYQF-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCC1=CCCC1 ZINC000568880512 326380884 /nfs/dbraw/zinc/38/08/84/326380884.db2.gz LMMKMMSCEISFAN-LLVKDONJSA-N 0 1 247.342 2.205 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H](C)C(F)(F)F ZINC000569130011 326392125 /nfs/dbraw/zinc/39/21/25/326392125.db2.gz SINGJOWELXPHLW-MRVPVSSYSA-N 0 1 241.253 2.227 20 0 BEADMN CC[C@@H]1C[N@H+]([C@@H](CC(C)C)C(=O)[O-])CCS1 ZINC000569251024 326397757 /nfs/dbraw/zinc/39/77/57/326397757.db2.gz GLDNUSOXMNAHEA-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000569251677 326397783 /nfs/dbraw/zinc/39/77/83/326397783.db2.gz WFCQFCBFUXRZTM-AOOOYVTPSA-N 0 1 234.299 2.153 20 0 BEADMN CCc1cccc(C[N@@H+](CC)CC(=O)N(C)C)c1 ZINC000682518087 487975299 /nfs/dbraw/zinc/97/52/99/487975299.db2.gz GYVFGDYSRAERQA-UHFFFAOYSA-N 0 1 248.370 2.159 20 0 BEADMN CCc1cccc(CN(CC)CC(=O)N(C)C)c1 ZINC000682518087 487975303 /nfs/dbraw/zinc/97/53/03/487975303.db2.gz GYVFGDYSRAERQA-UHFFFAOYSA-N 0 1 248.370 2.159 20 0 BEADMN CCN(CCOCC(F)F)Cc1ccoc1 ZINC000682523626 487976393 /nfs/dbraw/zinc/97/63/93/487976393.db2.gz YUAKGVNLYQOCDT-UHFFFAOYSA-N 0 1 233.258 2.383 20 0 BEADMN CCN1CCN(C(=O)C2CCCCC2)C[C@H]1C ZINC000677173276 487988312 /nfs/dbraw/zinc/98/83/12/487988312.db2.gz LAGDVEKUJCKWRB-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1cn(C)nn1 ZINC000668604057 487996821 /nfs/dbraw/zinc/99/68/21/487996821.db2.gz NYUIRVCTZTUXJQ-TZMCWYRMSA-N 0 1 248.374 2.239 20 0 BEADMN C[N@@H+](CC1=CCCC1)C1(C(=O)[O-])CCCC1 ZINC000401014020 487998877 /nfs/dbraw/zinc/99/88/77/487998877.db2.gz BZXYYMGNEPZXET-UHFFFAOYSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@@H]1C[C@@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000488290989 533713018 /nfs/dbraw/zinc/71/30/18/533713018.db2.gz IFZCKKBCGUBBLT-VXGBXAGGSA-N 0 1 232.327 2.213 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667423585 488000895 /nfs/dbraw/zinc/00/08/95/488000895.db2.gz QHIMPFSONRYPBS-MNOVXSKESA-N 0 1 249.358 2.210 20 0 BEADMN Cc1cccc(CN(C)C(=O)C2(N(C)C)CC2)c1 ZINC000666066164 488003653 /nfs/dbraw/zinc/00/36/53/488003653.db2.gz SURPYPNHXSMCCS-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN CCn1ccnc1CNCC1=CCCC1 ZINC000401047710 488004125 /nfs/dbraw/zinc/00/41/25/488004125.db2.gz MZUOPVMOULOLCL-UHFFFAOYSA-N 0 1 205.305 2.103 20 0 BEADMN [O-]c1cccc2c(NC[C@@H](O)C3CC3)cc[nH+]c12 ZINC000682663926 488007799 /nfs/dbraw/zinc/00/77/99/488007799.db2.gz NIVGUIJLDVUFLG-CYBMUJFWSA-N 0 1 244.294 2.123 20 0 BEADMN CCO[C@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000682673252 488011144 /nfs/dbraw/zinc/01/11/44/488011144.db2.gz MSIMYMRRVUSHML-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)CC1)N(C)C ZINC000682365312 488012148 /nfs/dbraw/zinc/01/21/48/488012148.db2.gz ATDZFSASDFRUQV-GRYCIOLGSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)CCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000165520272 488015350 /nfs/dbraw/zinc/01/53/50/488015350.db2.gz NDTBUEKAWXBIKQ-NSHDSACASA-N 0 1 245.388 2.315 20 0 BEADMN CCCc1cc(C(=O)N2CC=C(C)CC2)n[nH]1 ZINC000677322636 488016794 /nfs/dbraw/zinc/01/67/94/488016794.db2.gz HTPUSDGBNZWODI-UHFFFAOYSA-N 0 1 233.315 2.154 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H]2CCOC2(C)C)s1 ZINC000391875657 488024082 /nfs/dbraw/zinc/02/40/82/488024082.db2.gz NCIQVZWGGIIBCJ-APPZFPTMSA-N 0 1 241.360 2.065 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1sc(C)nc1C ZINC000084149088 488025442 /nfs/dbraw/zinc/02/54/42/488025442.db2.gz QEGSWUAIKFMYFD-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1sc(C)nc1C ZINC000084149089 488026710 /nfs/dbraw/zinc/02/67/10/488026710.db2.gz QEGSWUAIKFMYFD-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1cn(C2CCC2)nn1 ZINC000667499453 488029692 /nfs/dbraw/zinc/02/96/92/488029692.db2.gz KFZAUNMYXJGQKJ-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1CC[C@H](CN2CC[C@H](C)[C@@H](F)C2)O1 ZINC000682773081 488033148 /nfs/dbraw/zinc/03/31/48/488033148.db2.gz XVXCGVFMBVUJSG-QCNOEVLYSA-N 0 1 215.312 2.234 20 0 BEADMN Cc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000677425363 488034412 /nfs/dbraw/zinc/03/44/12/488034412.db2.gz QXJHUYYCCTTYIS-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cnc(CNCCCC2CCOCC2)o1 ZINC000682780326 488041022 /nfs/dbraw/zinc/04/10/22/488041022.db2.gz GZZHQMUVEZGZSG-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667553811 488043486 /nfs/dbraw/zinc/04/34/86/488043486.db2.gz AIOXIJTVJLBOCT-GFCCVEGCSA-N 0 1 242.326 2.109 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@@H](C)C2)n1C ZINC000667559556 488047010 /nfs/dbraw/zinc/04/70/10/488047010.db2.gz AVNLDNSLCFFNKX-AOOOYVTPSA-N 0 1 239.388 2.054 20 0 BEADMN CCN(CC)CC(=O)Nc1ccccc1N(C)C ZINC000068064080 488059152 /nfs/dbraw/zinc/05/91/52/488059152.db2.gz KMJGQKIWUJWGIZ-UHFFFAOYSA-N 0 1 249.358 2.033 20 0 BEADMN C[C@H](CCn1cccn1)N[C@@H]1CCCC1(F)F ZINC000672621602 488066888 /nfs/dbraw/zinc/06/68/88/488066888.db2.gz BEPLZZSGULYCNS-GHMZBOCLSA-N 0 1 243.301 2.439 20 0 BEADMN CN(Cc1c(C(F)(F)F)cnn1C)C1CCC1 ZINC000667647531 488070270 /nfs/dbraw/zinc/07/02/70/488070270.db2.gz ZHKCUYPIIBAFFF-UHFFFAOYSA-N 0 1 247.264 2.423 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000670085405 488074145 /nfs/dbraw/zinc/07/41/45/488074145.db2.gz YPHJHSKUICZTDI-WCQYABFASA-N 0 1 239.338 2.125 20 0 BEADMN CCn1nccc1CCN1CC[C@H](C)[C@H](F)C1 ZINC000670085405 488074150 /nfs/dbraw/zinc/07/41/50/488074150.db2.gz YPHJHSKUICZTDI-WCQYABFASA-N 0 1 239.338 2.125 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cc(C)ccc1O ZINC000677588818 488081344 /nfs/dbraw/zinc/08/13/44/488081344.db2.gz MNXPPXOCKKNCPZ-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cncs2)C1 ZINC000389206736 488081510 /nfs/dbraw/zinc/08/15/10/488081510.db2.gz ZWLVVDDGXMUPCY-GHMZBOCLSA-N 0 1 239.388 2.278 20 0 BEADMN Cc1ccnc(CN(C)C[C@@H]2CCCO2)c1 ZINC000683005475 488086350 /nfs/dbraw/zinc/08/63/50/488086350.db2.gz UMJMFKGVRCGTRE-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H]([N@@H+](C)Cc1cnn2c1CCC2)C1(C)CC1 ZINC000667696089 488090327 /nfs/dbraw/zinc/09/03/27/488090327.db2.gz KLZNCZJFTPYHLU-NSHDSACASA-N 0 1 233.359 2.450 20 0 BEADMN CCCn1nccc1CN(C)CC(C)(C)OC ZINC000667699650 488092865 /nfs/dbraw/zinc/09/28/65/488092865.db2.gz GSGQJBFCXJCFNE-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN CCCn1nccc1CN1CCCCC1 ZINC000667712309 488096948 /nfs/dbraw/zinc/09/69/48/488096948.db2.gz BUXNKJBNXYPDRZ-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN Cc1ccnc(CN2CCOCC3(CCC3)C2)c1 ZINC000683022315 488097908 /nfs/dbraw/zinc/09/79/08/488097908.db2.gz GFSDNUUAUUGNGG-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN CC[C@]1(NCc2nc3ccccc3o2)CCOC1 ZINC000683044157 488102804 /nfs/dbraw/zinc/10/28/04/488102804.db2.gz YJNJFLXROQUWLL-AWEZNQCLSA-N 0 1 246.310 2.487 20 0 BEADMN CC[C@@]1(NCc2nccn2C(C)C)CCOC1 ZINC000683045176 488104267 /nfs/dbraw/zinc/10/42/67/488104267.db2.gz RRCOJGATQIXMLH-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN Cc1noc([C@@H](C)N2CCC3(CCC3)C2)n1 ZINC000675184778 488108068 /nfs/dbraw/zinc/10/80/68/488108068.db2.gz TZEYJTANPSWNSG-SECBINFHSA-N 0 1 221.304 2.315 20 0 BEADMN CCc1nocc1CN(C(C)C)[C@@H]1CCOC1 ZINC000660597719 488109700 /nfs/dbraw/zinc/10/97/00/488109700.db2.gz SPLXGCNUCSLBSC-GFCCVEGCSA-N 0 1 238.331 2.236 20 0 BEADMN Cn1cc(CN(C2CC2)C2CCCCC2)nn1 ZINC000677761333 488119203 /nfs/dbraw/zinc/11/92/03/488119203.db2.gz VOPLKACRSJGBSB-UHFFFAOYSA-N 0 1 234.347 2.112 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C(=O)[O-] ZINC000403262641 488120607 /nfs/dbraw/zinc/12/06/07/488120607.db2.gz YGRWZZQYESATRR-NJMOYASZSA-N 0 1 237.343 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cn1 ZINC000397479645 488120675 /nfs/dbraw/zinc/12/06/75/488120675.db2.gz CVXSSVPEMOULON-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN CCC(CC)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000517390461 488122285 /nfs/dbraw/zinc/12/22/85/488122285.db2.gz DJSRLBXDPHVUHI-SNVBAGLBSA-N 0 1 237.347 2.141 20 0 BEADMN Cc1cnc(N[C@@H](C)c2n[nH]c(C(C)C)n2)nc1 ZINC000677809591 488128550 /nfs/dbraw/zinc/12/85/50/488128550.db2.gz MWFDERGOUGNKRJ-VIFPVBQESA-N 0 1 246.318 2.200 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnn(CC(F)(F)F)c1 ZINC000525996551 487538164 /nfs/dbraw/zinc/53/81/64/487538164.db2.gz CTFHSTXCKAZLDT-IUCAKERBSA-N 0 1 247.264 2.428 20 0 BEADMN CC[C@@H](NCc1n[nH]c(C)n1)c1ccccc1F ZINC000392400879 487538757 /nfs/dbraw/zinc/53/87/57/487538757.db2.gz RLKPLPIPPKUIKM-GFCCVEGCSA-N 0 1 248.305 2.493 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)[C@H](C)N(C)C)c1 ZINC000674263920 487541026 /nfs/dbraw/zinc/54/10/26/487541026.db2.gz QJFUCNPCSXPIOW-LBPRGKRZSA-N 0 1 234.343 2.216 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)c1ccc(F)cc1 ZINC000674265340 487542082 /nfs/dbraw/zinc/54/20/82/487542082.db2.gz GGPWTEPVRDDIDR-JTQLQIEISA-N 0 1 238.306 2.129 20 0 BEADMN CC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CC=CC1 ZINC000655222312 487542284 /nfs/dbraw/zinc/54/22/84/487542284.db2.gz AOMOBEYINOJYCC-JTQLQIEISA-N 0 1 245.326 2.055 20 0 BEADMN Cc1nc(C)c(C[N@H+](C)[C@@H](CO)CC(C)C)o1 ZINC000685573343 487542307 /nfs/dbraw/zinc/54/23/07/487542307.db2.gz JBIOQRPVTJFCRX-GFCCVEGCSA-N 0 1 240.347 2.130 20 0 BEADMN C[C@H](O)CCOc1ccnc2c1CCCC2 ZINC000655701771 487543278 /nfs/dbraw/zinc/54/32/78/487543278.db2.gz HQYRPLFTEIUNCX-JTQLQIEISA-N 0 1 221.300 2.110 20 0 BEADMN CCN(Cc1oc(C)nc1C)C[C@H]1CCCO1 ZINC000685562349 487543547 /nfs/dbraw/zinc/54/35/47/487543547.db2.gz XYFKOSVJGBCCFF-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1)C(=O)[O-] ZINC000210499342 487543523 /nfs/dbraw/zinc/54/35/23/487543523.db2.gz GMOGINHDPBWFIB-PWWFUAJNSA-N 0 1 233.311 2.352 20 0 BEADMN c1cc(OC[C@@H]2CCOC2)c2c(n1)CCCC2 ZINC000655702491 487544602 /nfs/dbraw/zinc/54/46/02/487544602.db2.gz YPNYPJLEMDLPTI-LLVKDONJSA-N 0 1 233.311 2.376 20 0 BEADMN CCOCCN(CC)Cc1oc(C)nc1C ZINC000685564050 487544983 /nfs/dbraw/zinc/54/49/83/487544983.db2.gz WGNZOAUQZHGZCG-UHFFFAOYSA-N 0 1 226.320 2.150 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000070638130 487545287 /nfs/dbraw/zinc/54/52/87/487545287.db2.gz BZJYUHMXXVSPRF-CYBMUJFWSA-N 0 1 233.311 2.341 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)c1cccs1)N(C)C ZINC000674288529 487549806 /nfs/dbraw/zinc/54/98/06/487549806.db2.gz IEXJDHLHXQAGMZ-VIFPVBQESA-N 0 1 240.372 2.050 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@@H](C)C1 ZINC000220983693 487550208 /nfs/dbraw/zinc/55/02/08/487550208.db2.gz AXLSRMRUVBSGAB-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1nc(C)c(CN2CC3(CC3)C2)s1 ZINC000334741726 487553161 /nfs/dbraw/zinc/55/31/61/487553161.db2.gz FXRCDSHARBSJOF-UHFFFAOYSA-N 0 1 208.330 2.356 20 0 BEADMN c1nc(CN2C[C@]34COC[C@@]3(C2)CCCC4)co1 ZINC000668784165 487531856 /nfs/dbraw/zinc/53/18/56/487531856.db2.gz BOATWYOJQRERFN-OKILXGFUSA-N 0 1 248.326 2.067 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403787256 488138378 /nfs/dbraw/zinc/13/83/78/488138378.db2.gz CTOBEGHMGOEMAH-WRWGMCAJSA-N 0 1 225.332 2.218 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCCCN1C ZINC000683253038 488138823 /nfs/dbraw/zinc/13/88/23/488138823.db2.gz MLSHWSIVUDHMMY-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](C(=O)NCCCC1CCCC1)N(C)C ZINC000674244564 487533366 /nfs/dbraw/zinc/53/33/66/487533366.db2.gz IAQMVJLUISISCV-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3CCCSC3)n2)C1 ZINC000258896495 488141296 /nfs/dbraw/zinc/14/12/96/488141296.db2.gz OAPIBKQESYMROL-DTWKUNHWSA-N 0 1 239.344 2.105 20 0 BEADMN CCCn1nccc1CNCc1ccnc(C)c1 ZINC000391120535 487472678 /nfs/dbraw/zinc/47/26/78/487472678.db2.gz IVCBAZVJYQKRNI-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CO[C@@H](C3CC3)C2)c2nccn21 ZINC000668223785 487479053 /nfs/dbraw/zinc/47/90/53/487479053.db2.gz TVPQAVQAKWGLIV-FOUMNBMASA-N 0 1 247.342 2.046 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC(F)(F)C1 ZINC000679917993 487486131 /nfs/dbraw/zinc/48/61/31/487486131.db2.gz KZUQFLTXPLPZNZ-UHFFFAOYSA-N 0 1 247.628 2.137 20 0 BEADMN O=C(NCc1cnc[nH]1)c1cc2occc2s1 ZINC000673935430 487486334 /nfs/dbraw/zinc/48/63/34/487486334.db2.gz NIAJPNPBOCTFBZ-UHFFFAOYSA-N 0 1 247.279 2.147 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000393958087 487486533 /nfs/dbraw/zinc/48/65/33/487486533.db2.gz YXRZVFUEMVPAJT-QMMMGPOBSA-N 0 1 242.344 2.462 20 0 BEADMN CC(C)(CC[N@@H+](CC(=O)[O-])C1CC1)C1CC1 ZINC000406055837 487499073 /nfs/dbraw/zinc/49/90/73/487499073.db2.gz KHBVNXGXSWVKLO-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C[N@@H+](C)CCC(C)(C)C1CC1)C(=O)[O-] ZINC000406080658 487500051 /nfs/dbraw/zinc/50/00/51/487500051.db2.gz XCLNCNISYRCSRV-SNVBAGLBSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCC2)cn1 ZINC000381334601 487504312 /nfs/dbraw/zinc/50/43/12/487504312.db2.gz IYULDWFDGUGMIM-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN c1n[nH]nc1CCCCc1nc(C2CCC2)no1 ZINC000685242667 487505671 /nfs/dbraw/zinc/50/56/71/487505671.db2.gz XZWVFOCOQGNIBL-UHFFFAOYSA-N 0 1 247.302 2.021 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1ncc[nH]1)OC ZINC000295851900 487514446 /nfs/dbraw/zinc/51/44/46/487514446.db2.gz BBGSIDOMRHVDGP-GARJFASQSA-N 0 1 225.336 2.121 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)C2CCCC2)n[nH]1 ZINC000674093465 487517961 /nfs/dbraw/zinc/51/79/61/487517961.db2.gz HBUCIDWUFXTGJZ-SNVBAGLBSA-N 0 1 235.331 2.161 20 0 BEADMN COCc1noc([C@H](C)N[C@@H](C)C2CCC2)n1 ZINC000680017234 487519201 /nfs/dbraw/zinc/51/92/01/487519201.db2.gz LNVCMPWJPYVQSU-IUCAKERBSA-N 0 1 239.319 2.055 20 0 BEADMN CC1(C)C[N@@H+](CCCCC(=O)[O-])C(C)(C)CO1 ZINC000680018763 487519260 /nfs/dbraw/zinc/51/92/60/487519260.db2.gz NBDZZBMQEDPABQ-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CN(CC1=CCSC1)CC1(F)CC1 ZINC000668775609 487521757 /nfs/dbraw/zinc/52/17/57/487521757.db2.gz ZSUUBHGTRXUJRI-UHFFFAOYSA-N 0 1 201.310 2.094 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000031945130 487534671 /nfs/dbraw/zinc/53/46/71/487534671.db2.gz MNGIBRPPHUHRTD-QMMMGPOBSA-N 0 1 240.328 2.073 20 0 BEADMN Cc1occc1CNCc1cnccc1N(C)C ZINC000680541452 487613435 /nfs/dbraw/zinc/61/34/35/487613435.db2.gz BNQRLHAAIYWLQT-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN CC[C@@H]1CCCN(C(=O)C2(N(C)C)CC2)CC1 ZINC000668862727 487675650 /nfs/dbraw/zinc/67/56/50/487675650.db2.gz JYRREUATQVPXHA-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC1(CNC(=O)[C@H](C)N(C)C)CCCC1 ZINC000675495411 487741067 /nfs/dbraw/zinc/74/10/67/487741067.db2.gz ORXQCHZRFVIMIC-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]2C[C@H]21 ZINC000672132124 487783941 /nfs/dbraw/zinc/78/39/41/487783941.db2.gz ZGOSBLBDQCHJJR-JOYOIKCWSA-N 0 1 241.294 2.187 20 0 BEADMN CO[C@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000681751334 487855062 /nfs/dbraw/zinc/85/50/62/487855062.db2.gz XEHNHLWILRLKKA-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000083414802 487907987 /nfs/dbraw/zinc/90/79/87/487907987.db2.gz IWGYLPPCQWMFMH-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Cc1nc2ccc(NC(=O)c3cnco3)cc2[nH]1 ZINC000677506988 488057258 /nfs/dbraw/zinc/05/72/58/488057258.db2.gz RPHBKCAVMGTHSK-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1nc(CN2C[C@@H]3CCC[C@@H]3C2)[nH]c1C ZINC000628176862 488059556 /nfs/dbraw/zinc/05/95/56/488059556.db2.gz AGJJFUWUMVUKDG-TXEJJXNPSA-N 0 1 219.332 2.258 20 0 BEADMN Cc1nc(CN2C[C@H]3CCC[C@@H]3C2)[nH]c1C ZINC000628176863 488059893 /nfs/dbraw/zinc/05/98/93/488059893.db2.gz AGJJFUWUMVUKDG-VXGBXAGGSA-N 0 1 219.332 2.258 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000683253038 488138819 /nfs/dbraw/zinc/13/88/19/488138819.db2.gz MLSHWSIVUDHMMY-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667872502 488144321 /nfs/dbraw/zinc/14/43/21/488144321.db2.gz BISMWLZEZMCDRV-ZIAGYGMSSA-N 0 1 249.358 2.121 20 0 BEADMN CN(CCC(C)(C)C)C(=O)c1ccnc(CN)c1 ZINC000258984951 488145807 /nfs/dbraw/zinc/14/58/07/488145807.db2.gz MFZBAIYVBZZKPW-UHFFFAOYSA-N 0 1 249.358 2.049 20 0 BEADMN Cc1oc(C[N@H+](C)C[C@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000226980389 488149159 /nfs/dbraw/zinc/14/91/59/488149159.db2.gz AAOXGNJRFKXEQH-PSASIEDQSA-N 0 1 237.299 2.374 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C3CC3)C2)n1 ZINC000677905237 488151990 /nfs/dbraw/zinc/15/19/90/488151990.db2.gz DGZYGJISYUERJQ-KWQFWETISA-N 0 1 221.304 2.171 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC23CCC3)s1 ZINC000379916168 488155864 /nfs/dbraw/zinc/15/58/64/488155864.db2.gz CIKQCBZIIJLJSG-SECBINFHSA-N 0 1 223.345 2.269 20 0 BEADMN Cn1ncc(C2CC2)c1CN1CC=CCC1 ZINC000667946097 488163946 /nfs/dbraw/zinc/16/39/46/488163946.db2.gz AEZFANHXBBBSBE-UHFFFAOYSA-N 0 1 217.316 2.059 20 0 BEADMN C[C@H]1C[C@@H]1CN1CCOc2ccc(O)cc2C1 ZINC000668725013 488166890 /nfs/dbraw/zinc/16/68/90/488166890.db2.gz XUNXARIVBNACFB-WDEREUQCSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1ccc(CN(CCn2ccnc2)C2CC2)o1 ZINC000677980392 488168117 /nfs/dbraw/zinc/16/81/17/488168117.db2.gz AFIGJKMPAILGPB-UHFFFAOYSA-N 0 1 245.326 2.449 20 0 BEADMN Cc1csc(CNC(=O)CCc2cnc[nH]2)c1 ZINC000452756299 488173282 /nfs/dbraw/zinc/17/32/82/488173282.db2.gz KKQYGKLDJRHTGL-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN Cc1nsc(NC[C@H]2CCN2C(C)(C)C)n1 ZINC000664143189 488185626 /nfs/dbraw/zinc/18/56/26/488185626.db2.gz SYSHKIYNEZGCIP-SECBINFHSA-N 0 1 240.376 2.131 20 0 BEADMN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000453313835 488188730 /nfs/dbraw/zinc/18/87/30/488188730.db2.gz DKDPWESICLTHIN-BDAKNGLRSA-N 0 1 229.274 2.496 20 0 BEADMN C[C@@H](NC[C@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000453313840 488188787 /nfs/dbraw/zinc/18/87/87/488188787.db2.gz DKDPWESICLTHIN-RKDXNWHRSA-N 0 1 229.274 2.496 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@]1(C)CO ZINC000668738990 488190124 /nfs/dbraw/zinc/19/01/24/488190124.db2.gz HWYMLBSFODNNRA-BXKDBHETSA-N 0 1 243.734 2.383 20 0 BEADMN COc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000678121516 488200522 /nfs/dbraw/zinc/20/05/22/488200522.db2.gz QKBNKQURFOLHQS-UHFFFAOYSA-N 0 1 231.299 2.050 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)C12CCC2 ZINC000308349416 488201580 /nfs/dbraw/zinc/20/15/80/488201580.db2.gz BWEJVORHBPLHJH-GARJFASQSA-N 0 1 235.331 2.018 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@H](C)c2ncc[nH]2)C12CCC2 ZINC000308349422 488201863 /nfs/dbraw/zinc/20/18/63/488201863.db2.gz BWEJVORHBPLHJH-GMTAPVOTSA-N 0 1 235.331 2.018 20 0 BEADMN CCN(Cc1cn2cccc(F)c2n1)C1CC1 ZINC000678138241 488204361 /nfs/dbraw/zinc/20/43/61/488204361.db2.gz PBEOHQKPQFRDGW-UHFFFAOYSA-N 0 1 233.290 2.458 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1cccc(C)c1C ZINC000678139021 488204717 /nfs/dbraw/zinc/20/47/17/488204717.db2.gz GNYXERPDAOVKPY-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1ccc(C)c(C)c1 ZINC000678139183 488205333 /nfs/dbraw/zinc/20/53/33/488205333.db2.gz LKWBDYIIIMIBBL-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN C=Cn1cc(CNc2ccnc(C)c2Cl)cn1 ZINC000683722680 488212464 /nfs/dbraw/zinc/21/24/64/488212464.db2.gz STUBHDZSAIRPIQ-UHFFFAOYSA-N 0 1 248.717 2.374 20 0 BEADMN FC(F)(F)C[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000683719739 488212492 /nfs/dbraw/zinc/21/24/92/488212492.db2.gz COXZWSIVHOHUJT-MRVPVSSYSA-N 0 1 233.237 2.184 20 0 BEADMN Fc1ccc2c(c1)CCN([C@H]1CCCOC1)C2 ZINC000678177966 488213245 /nfs/dbraw/zinc/21/32/45/488213245.db2.gz QQVNPGDKIRMGKJ-AWEZNQCLSA-N 0 1 235.302 2.363 20 0 BEADMN CCCN(Cc1cn[nH]c1C)CC(F)(F)F ZINC000678182156 488214202 /nfs/dbraw/zinc/21/42/02/488214202.db2.gz VXSOWHZPGCCAEN-UHFFFAOYSA-N 0 1 235.253 2.492 20 0 BEADMN CCCn1nccc1CN1CC[C@H]1CC ZINC000668189331 488217422 /nfs/dbraw/zinc/21/74/22/488217422.db2.gz AYDNUAKHUUEIFG-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN Oc1ccc([C@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC000678212824 488217940 /nfs/dbraw/zinc/21/79/40/488217940.db2.gz HEIJSMZKBREGGU-CQSZACIVSA-N 0 1 243.310 2.452 20 0 BEADMN Nc1ccncc1C(=O)N1CCC2(CCC2)CC1 ZINC000308728381 488219803 /nfs/dbraw/zinc/21/98/03/488219803.db2.gz FYWRDXQHRZMKQQ-UHFFFAOYSA-N 0 1 245.326 2.070 20 0 BEADMN CCN(Cc1ccc(F)c(F)c1F)[C@@H](C)CO ZINC000668195702 488221130 /nfs/dbraw/zinc/22/11/30/488221130.db2.gz SIWYDJVRNQAWDK-QMMMGPOBSA-N 0 1 247.260 2.307 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC2CCC2)[C@@H]1C(=O)[O-] ZINC000398745571 488223502 /nfs/dbraw/zinc/22/35/02/488223502.db2.gz UHAHSXVJSDFXMB-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC1CCC1 ZINC000398748936 488223779 /nfs/dbraw/zinc/22/37/79/488223779.db2.gz WJJAPLXGYPDJAW-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCC1CCC1 ZINC000398807246 488224521 /nfs/dbraw/zinc/22/45/21/488224521.db2.gz WIONMVORHHDNTA-GFCCVEGCSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC1CCC1)CC(=O)[O-] ZINC000398797039 488224649 /nfs/dbraw/zinc/22/46/49/488224649.db2.gz RXNUSHLDEPWYKD-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(F)ccc1CN(C)Cc1cn[nH]c1 ZINC000678265863 488225168 /nfs/dbraw/zinc/22/51/68/488225168.db2.gz ATJLAKWWZOYLFA-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1nnc(NC(=O)[C@]2(C)CC=C(C)CC2)[nH]1 ZINC000668210893 488226956 /nfs/dbraw/zinc/22/69/56/488226956.db2.gz PIDZNNXMIGIRNZ-GFCCVEGCSA-N 0 1 234.303 2.188 20 0 BEADMN COc1ccsc1CN1CCCOC[C@@H]1C ZINC000678275599 488234360 /nfs/dbraw/zinc/23/43/60/488234360.db2.gz ZSVOLFPXYJFBRS-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@H]2CCCCO2)o1 ZINC000683898165 488234449 /nfs/dbraw/zinc/23/44/49/488234449.db2.gz FYRHEQCADNMMGD-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN Cn1nccc1CN1C2CCCC1CCC2 ZINC000678280055 488236070 /nfs/dbraw/zinc/23/60/70/488236070.db2.gz WROKMEBOQDZFQO-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN COc1ccncc1CN1CCC2(CC2)CC1 ZINC000672552188 488259486 /nfs/dbraw/zinc/25/94/86/488259486.db2.gz MOCHZOZHBXUASG-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN Cc1cc(CNC(=O)c2csc(C)c2C)n[nH]1 ZINC000678621355 488273320 /nfs/dbraw/zinc/27/33/20/488273320.db2.gz JHRQCYDABZRIGQ-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN C[C@@H]1CCN(Cc2nc3c(s2)CCC3)C1 ZINC000678819978 488287189 /nfs/dbraw/zinc/28/71/89/488287189.db2.gz YVKXSCZZQCBHHW-SECBINFHSA-N 0 1 222.357 2.474 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000043585350 488290142 /nfs/dbraw/zinc/29/01/42/488290142.db2.gz WRBUYUAHSZOVKC-GFCCVEGCSA-N 0 1 248.326 2.158 20 0 BEADMN FC(F)CN1CCC[C@@H]1C1CCOCC1 ZINC000679158258 488314053 /nfs/dbraw/zinc/31/40/53/488314053.db2.gz RHOCOMHKZKWMBM-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1cc(C)n(CCN2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679227876 488322397 /nfs/dbraw/zinc/32/23/97/488322397.db2.gz UCVPVZIXNZWPNZ-GWCFXTLKSA-N 0 1 239.338 2.180 20 0 BEADMN Cc1cc(C)n(CCN2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679227879 488322489 /nfs/dbraw/zinc/32/24/89/488322489.db2.gz UCVPVZIXNZWPNZ-ZWNOBZJWSA-N 0 1 239.338 2.180 20 0 BEADMN Cc1cc(-c2nc3cccc(F)c3c(=O)[nH]2)no1 ZINC000684558833 488327203 /nfs/dbraw/zinc/32/72/03/488327203.db2.gz ODHYPUHEBRNKTQ-UHFFFAOYSA-N 0 1 245.213 2.438 20 0 BEADMN C[C@@H](CO)[C@@H](C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684573844 488328487 /nfs/dbraw/zinc/32/84/87/488328487.db2.gz FHXTUTQDSBIVHC-VHSXEESVSA-N 0 1 246.310 2.369 20 0 BEADMN CN(CCCCO)c1cc[nH+]c2c([O-])cccc12 ZINC000684589161 488329194 /nfs/dbraw/zinc/32/91/94/488329194.db2.gz GNULAUCJEBGYSK-UHFFFAOYSA-N 0 1 246.310 2.149 20 0 BEADMN C[C@@H]1c2ccccc2OCCN1Cc1cnc[nH]1 ZINC000684619187 488333729 /nfs/dbraw/zinc/33/37/29/488333729.db2.gz GXJHLHWONILZGE-LLVKDONJSA-N 0 1 243.310 2.365 20 0 BEADMN CCCc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)n[nH]1 ZINC000684708989 488339153 /nfs/dbraw/zinc/33/91/53/488339153.db2.gz GSTQVTNYINIKGQ-SNVBAGLBSA-N 0 1 247.342 2.400 20 0 BEADMN COc1ccc(CN2CC=CCC2)c(OC)c1 ZINC000679358192 488344363 /nfs/dbraw/zinc/34/43/63/488344363.db2.gz DTDHDPIQHUEAQM-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN CCn1nc(C)c(CN2CC=CCC2)c1C ZINC000679358255 488345114 /nfs/dbraw/zinc/34/51/14/488345114.db2.gz FYMFJHZILFKRMB-UHFFFAOYSA-N 0 1 219.332 2.282 20 0 BEADMN C[C@H]1CCN(CC2=CCCOC2)C[C@@H]1F ZINC000679359678 488346058 /nfs/dbraw/zinc/34/60/58/488346058.db2.gz MKEYNUPKMAYKAR-JQWIXIFHSA-N 0 1 213.296 2.013 20 0 BEADMN COc1ccc(CN2CC=CCC2)cc1OC ZINC000679361259 488346418 /nfs/dbraw/zinc/34/64/18/488346418.db2.gz YTNKWWPQPVZBNU-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN Oc1ccc(CNc2ccc3nn[nH]c3c2)cc1 ZINC000679394675 488350370 /nfs/dbraw/zinc/35/03/70/488350370.db2.gz QODRLXOQULZLFK-UHFFFAOYSA-N 0 1 240.266 2.276 20 0 BEADMN Oc1ccc(CNc2ccc3n[nH]nc3c2)cc1 ZINC000679394675 488350372 /nfs/dbraw/zinc/35/03/72/488350372.db2.gz QODRLXOQULZLFK-UHFFFAOYSA-N 0 1 240.266 2.276 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc(C)c(C)s1 ZINC000122151615 490127531 /nfs/dbraw/zinc/12/75/31/490127531.db2.gz RQCWEOFODSQPIG-IONNQARKSA-N 0 1 228.361 2.273 20 0 BEADMN C[C@@](CO)(NCc1cncs1)c1ccccc1 ZINC000122156477 490127129 /nfs/dbraw/zinc/12/71/29/490127129.db2.gz QKYWORUBSBOFPU-ZDUSSCGKSA-N 0 1 248.351 2.140 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@H]3C[C@H]32)n[nH]1 ZINC000672137556 490137250 /nfs/dbraw/zinc/13/72/50/490137250.db2.gz XKZIKXZRAABPEW-JOYOIKCWSA-N 0 1 233.315 2.158 20 0 BEADMN CCc1cccc2c1N(C(=O)[C@H](C)N(C)C)CC2 ZINC000078701401 490219187 /nfs/dbraw/zinc/21/91/87/490219187.db2.gz ZDBPWUUKVKQHBX-NSHDSACASA-N 0 1 246.354 2.088 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2scnc2c1)N(C)C ZINC000078706660 490219221 /nfs/dbraw/zinc/21/92/21/490219221.db2.gz WNKVMNHTUUBPLN-QMMMGPOBSA-N 0 1 249.339 2.185 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)CCO)c(C)s1 ZINC000123332652 490221641 /nfs/dbraw/zinc/22/16/41/490221641.db2.gz VKKDTIGXGKJXGV-SFYZADRCSA-N 0 1 228.361 2.181 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078733089 490222942 /nfs/dbraw/zinc/22/29/42/490222942.db2.gz PFUQDFHVGFBJER-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN OCCC[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000404224386 490260112 /nfs/dbraw/zinc/26/01/12/490260112.db2.gz ORILXNODLBWIDH-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN CO[C@@H]1CCC[C@@H](N[C@@H](C)C(F)F)C1 ZINC000389931708 490275174 /nfs/dbraw/zinc/27/51/74/490275174.db2.gz IZVPHYDHJXCYKR-DJLDLDEBSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1occc1CN1CCC[C@H](n2ccnn2)C1 ZINC000335516911 490394676 /nfs/dbraw/zinc/39/46/76/490394676.db2.gz HCTOKIRZZIQNLB-ZDUSSCGKSA-N 0 1 246.314 2.017 20 0 BEADMN O=C(NC1CC=CC1)c1n[nH]c2ccccc21 ZINC000125273573 490426943 /nfs/dbraw/zinc/42/69/43/490426943.db2.gz FEZMMTVZKWOQDB-UHFFFAOYSA-N 0 1 227.267 2.011 20 0 BEADMN C[C@H](NC(=O)CN1CCC(C)CC1)C1CCC1 ZINC000130907753 490461170 /nfs/dbraw/zinc/46/11/70/490461170.db2.gz IMEWPKPZRCCMOD-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN Fc1ccc(CNC2CSC2)c(F)c1 ZINC000075139636 490517601 /nfs/dbraw/zinc/51/76/01/490517601.db2.gz UGWMKFJERJNLQC-UHFFFAOYSA-N 0 1 215.268 2.170 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@@H](CO)c1ccccc1 ZINC000305829112 490622647 /nfs/dbraw/zinc/62/26/47/490622647.db2.gz NNJWTZFDVYHCQU-HZMBPMFUSA-N 0 1 245.326 2.102 20 0 BEADMN CO[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1C ZINC000227542642 491062861 /nfs/dbraw/zinc/06/28/61/491062861.db2.gz NCGLUFACRJXVST-SMDDNHRTSA-N 0 1 235.327 2.249 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000293659276 491114253 /nfs/dbraw/zinc/11/42/53/491114253.db2.gz NRVXJQHRDFTFCX-CYBMUJFWSA-N 0 1 230.311 2.389 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@@H]2COC)c1 ZINC000293660084 491114263 /nfs/dbraw/zinc/11/42/63/491114263.db2.gz TYOXZKXFNUOBKU-CQSZACIVSA-N 0 1 219.328 2.470 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000293659279 491114375 /nfs/dbraw/zinc/11/43/75/491114375.db2.gz NRVXJQHRDFTFCX-ZDUSSCGKSA-N 0 1 230.311 2.389 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000138399935 491121507 /nfs/dbraw/zinc/12/15/07/491121507.db2.gz ZFWTWMWQWGTAOS-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN CN(Cc1cccc(F)c1F)CC1CC(O)C1 ZINC000091491227 491130880 /nfs/dbraw/zinc/13/08/80/491130880.db2.gz NTPGXADOOXIMSI-UHFFFAOYSA-N 0 1 241.281 2.168 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426359348 491131125 /nfs/dbraw/zinc/13/11/25/491131125.db2.gz XSPMJYMBGGEVGD-ZDUSSCGKSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)N(C)CC[NH2+][C@H]1CCCc2cccnc21 ZINC000091661555 491131431 /nfs/dbraw/zinc/13/14/31/491131431.db2.gz AXXDEWBBLJXFNJ-AWEZNQCLSA-N 0 1 247.386 2.389 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@H]3C)ccc12 ZINC000091824861 491131652 /nfs/dbraw/zinc/13/16/52/491131652.db2.gz VAUUBTFRLUXVOH-RDDDGLTNSA-N 0 1 229.283 2.466 20 0 BEADMN COCC[C@H](C)N[C@@H]1CCCC1(F)F ZINC000308526113 491136909 /nfs/dbraw/zinc/13/69/09/491136909.db2.gz QRVUDQIOHHHUTF-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1nnc([C@H](C)NCC2CC(C)(C)C2)o1 ZINC000309504466 491150478 /nfs/dbraw/zinc/15/04/78/491150478.db2.gz BPQCIMGBCQQEQB-QMMMGPOBSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H](C)CCCCO)s1 ZINC000309658960 491153852 /nfs/dbraw/zinc/15/38/52/491153852.db2.gz BBPXWTIEIGCKEJ-DTWKUNHWSA-N 0 1 243.376 2.048 20 0 BEADMN CC[C@H]1c2ccccc2CCN1C(=O)CN(C)C ZINC000133868045 491160845 /nfs/dbraw/zinc/16/08/45/491160845.db2.gz ICYWQZDOAAYXOA-AWEZNQCLSA-N 0 1 246.354 2.084 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@H]1CCC(C)(C)O1 ZINC000488253040 534019985 /nfs/dbraw/zinc/01/99/85/534019985.db2.gz OYWAGIQVUHMJKV-NWDGAFQWSA-N 0 1 241.375 2.443 20 0 BEADMN CN(C)Cc1cnc(/C=C/c2ccncn2)s1 ZINC000349105170 536054112 /nfs/dbraw/zinc/05/41/12/536054112.db2.gz GDODZLZURJSNEX-ONEGZZNKSA-N 0 1 246.339 2.165 20 0 BEADMN CCc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cn1 ZINC000336000013 536179197 /nfs/dbraw/zinc/17/91/97/536179197.db2.gz HPXKEDTVKCCVLM-CQSZACIVSA-N 0 1 248.370 2.237 20 0 BEADMN CC(=O)N1CCN(CCCCC(C)C)[C@H](C)C1 ZINC000892066193 582783703 /nfs/dbraw/zinc/78/37/03/582783703.db2.gz BGVHBOASZJEABR-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCOc1ccc(CN2CCC[C@](C)(O)C2)o1 ZINC000892092770 582789506 /nfs/dbraw/zinc/78/95/06/582789506.db2.gz XIRLIOPTEJJCIT-ZDUSSCGKSA-N 0 1 239.315 2.025 20 0 BEADMN CC[C@@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000892223881 582810162 /nfs/dbraw/zinc/81/01/62/582810162.db2.gz NENWEIFILUNCQW-LLVKDONJSA-N 0 1 219.332 2.450 20 0 BEADMN CC(C)(C)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263535784 534605451 /nfs/dbraw/zinc/60/54/51/534605451.db2.gz ZCIMWKFRXASUAX-GXFFZTMASA-N 0 1 225.332 2.219 20 0 BEADMN CC=CC=CC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849635688 582853955 /nfs/dbraw/zinc/85/39/55/582853955.db2.gz ZIJRBLMUHZNISZ-HFCJTVHMSA-N 0 1 235.287 2.104 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000309472607 527756781 /nfs/dbraw/zinc/75/67/81/527756781.db2.gz RASFLTUORQTDEX-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN CCCC1(C(=O)Nc2nnc(CC)[nH]2)CCC1 ZINC000479081778 528034445 /nfs/dbraw/zinc/03/44/45/528034445.db2.gz QCQGBNSPFPQYLJ-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCCC1(C(=O)Nc2nc(CC)n[nH]2)CCC1 ZINC000479081778 528034448 /nfs/dbraw/zinc/03/44/48/528034448.db2.gz QCQGBNSPFPQYLJ-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCCCN(C)CN1CC2(CCCC2)OC1=O ZINC000494553995 528348551 /nfs/dbraw/zinc/34/85/51/528348551.db2.gz ILUCNLSCAVGGRM-UHFFFAOYSA-N 0 1 240.347 2.441 20 0 BEADMN CCOC=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000492793482 528501383 /nfs/dbraw/zinc/50/13/83/528501383.db2.gz MTZCAXHJTLMVBA-BQYQJAHWSA-N 0 1 231.255 2.052 20 0 BEADMN CC(C)n1ccnc1CN[C@@]1(C)CCO[C@H]1C ZINC000494203703 528608415 /nfs/dbraw/zinc/60/84/15/528608415.db2.gz FEVLRCHTWWATCU-AAEUAGOBSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)NCCN2CCC2)CC1 ZINC000474237925 529251737 /nfs/dbraw/zinc/25/17/37/529251737.db2.gz ZHIOIVDXQMDNBX-JOCQHMNTSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCCc2ccccc2C1 ZINC000173349467 529297057 /nfs/dbraw/zinc/29/70/57/529297057.db2.gz IDJRIPCKMJMGFR-AWEZNQCLSA-N 0 1 247.338 2.386 20 0 BEADMN CC1(C)C[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000336033815 534930052 /nfs/dbraw/zinc/93/00/52/534930052.db2.gz JXTVUMCSPQDDNN-SNVBAGLBSA-N 0 1 247.273 2.230 20 0 BEADMN CC(C)(C)n1cc(CN[C@H]2CC[C@@H](F)C2)nn1 ZINC000342317210 534955983 /nfs/dbraw/zinc/95/59/83/534955983.db2.gz NVETYZVWZXTKIE-ZJUUUORDSA-N 0 1 240.326 2.013 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1CC=CCC1 ZINC000263491125 535039553 /nfs/dbraw/zinc/03/95/53/535039553.db2.gz IMSCBCIESXMXHM-NSHDSACASA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000261536844 535075579 /nfs/dbraw/zinc/07/55/79/535075579.db2.gz TXMUQKOQMMURBR-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@H]1CN(C(=O)c2ccccc2)CCN1C ZINC000336093070 535230269 /nfs/dbraw/zinc/23/02/69/535230269.db2.gz MNRFUROKSXTCAL-CQSZACIVSA-N 0 1 246.354 2.099 20 0 BEADMN COc1ccnc(NCc2cc(C)ns2)c1 ZINC000393751040 582922193 /nfs/dbraw/zinc/92/21/93/582922193.db2.gz CMBFUJIXORCUHC-UHFFFAOYSA-N 0 1 235.312 2.467 20 0 BEADMN CCC(=O)CCCN1CCOC2(CCC2)C1 ZINC000347763864 535292503 /nfs/dbraw/zinc/29/25/03/535292503.db2.gz AIKSBTMPIHVUNB-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN CC(C)c1cc(-c2nc(C3(N)CCC3)no2)on1 ZINC000261983617 535335606 /nfs/dbraw/zinc/33/56/06/535335606.db2.gz RQNXTLHNUJGJCJ-UHFFFAOYSA-N 0 1 248.286 2.186 20 0 BEADMN CC1(C)C[C@H](NCc2ccon2)C(C)(C)O1 ZINC000088052781 535368135 /nfs/dbraw/zinc/36/81/35/535368135.db2.gz WDFXIZREUGXTPS-JTQLQIEISA-N 0 1 224.304 2.110 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC2(CCCC2)C1 ZINC000174268340 535426236 /nfs/dbraw/zinc/42/62/36/535426236.db2.gz CFMPEPCKBUAGKF-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](CC)CC1 ZINC000226902341 535426402 /nfs/dbraw/zinc/42/64/02/535426402.db2.gz BGRGSVNMVPVRPK-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@@H](C)C1 ZINC000227090845 535458277 /nfs/dbraw/zinc/45/82/77/535458277.db2.gz XVCYKPHNDAKWMJ-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C)CN(C)Cc1ncc(C)n1C ZINC000342790605 535492704 /nfs/dbraw/zinc/49/27/04/535492704.db2.gz AMSWLZHTQKQVQZ-SNVBAGLBSA-N 0 1 209.337 2.206 20 0 BEADMN CCN(CC)Cc1ccn(C(F)F)n1 ZINC000347693460 535611789 /nfs/dbraw/zinc/61/17/89/535611789.db2.gz WOZXVNYQRUGLHX-UHFFFAOYSA-N 0 1 203.236 2.120 20 0 BEADMN CCOC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000260994282 535676593 /nfs/dbraw/zinc/67/65/93/535676593.db2.gz UOOJMUOJNVDIAN-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](N[C@@H](C)COC)c1nccs1 ZINC000070633900 535808036 /nfs/dbraw/zinc/80/80/36/535808036.db2.gz XTTQBIFWLRHIHV-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263385336 535886990 /nfs/dbraw/zinc/88/69/90/535886990.db2.gz YAQTWMCYIKVCQD-BXUZGUMPSA-N 0 1 247.338 2.402 20 0 BEADMN CC[C@@](C)(O)CNCc1csc(C2CC2)n1 ZINC000113339268 536011016 /nfs/dbraw/zinc/01/10/16/536011016.db2.gz UQNQYRIBSWHZOF-GFCCVEGCSA-N 0 1 240.372 2.271 20 0 BEADMN CCc1nnc(NC(=O)CC(C)(C)C2CC2)[nH]1 ZINC000342997893 536145923 /nfs/dbraw/zinc/14/59/23/536145923.db2.gz YMGHWLGNTBQALA-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC(C)(C)C2CC2)n1 ZINC000342997893 536145928 /nfs/dbraw/zinc/14/59/28/536145928.db2.gz YMGHWLGNTBQALA-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CN(CCC(=O)[O-])c1cc[nH+]c2ccsc21 ZINC000263410555 536312750 /nfs/dbraw/zinc/31/27/50/536312750.db2.gz MEDSOJVFGMNQRL-UHFFFAOYSA-N 0 1 236.296 2.207 20 0 BEADMN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C(C)(C)C ZINC000335974447 536366595 /nfs/dbraw/zinc/36/65/95/536366595.db2.gz WWGCTXZOKNJROT-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CN1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000302693236 536424454 /nfs/dbraw/zinc/42/44/54/536424454.db2.gz SCGOATMIGXNWOB-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN CN(Cc1ccccc1F)CC(C)(C)CO ZINC000051295102 536482593 /nfs/dbraw/zinc/48/25/93/536482593.db2.gz XJWPINIKOJAFPH-UHFFFAOYSA-N 0 1 225.307 2.276 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCCF ZINC000351812999 536505241 /nfs/dbraw/zinc/50/52/41/536505241.db2.gz FYSPGUOOLKKVTG-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN COc1cc(C)nc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000342235396 536693705 /nfs/dbraw/zinc/69/37/05/536693705.db2.gz VFVRXMRSLUPAAH-GHMZBOCLSA-N 0 1 242.269 2.142 20 0 BEADMN COC[C@@H]1CCCCN(Cc2ncc(C)cn2)C1 ZINC000342598095 536740841 /nfs/dbraw/zinc/74/08/41/536740841.db2.gz YCLIVFOKEGHKCA-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN COc1cccc(CN2[C@H](C)C[C@H]2C)n1 ZINC000335679696 537107628 /nfs/dbraw/zinc/10/76/28/537107628.db2.gz UDGPTCHPAHCKAK-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893872749 583238018 /nfs/dbraw/zinc/23/80/18/583238018.db2.gz UREFCGHKKNYHEB-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@@H]1CCN1CC ZINC000893872749 583238021 /nfs/dbraw/zinc/23/80/21/583238021.db2.gz UREFCGHKKNYHEB-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCC1(CC)CN(C[C@@H](O)c2ccccn2)C1 ZINC000853064819 588718566 /nfs/dbraw/zinc/71/85/66/588718566.db2.gz XBJCZBBUZNGJJC-CYBMUJFWSA-N 0 1 234.343 2.237 20 0 BEADMN O[C@@H](CN1CC2(C1)CCCCC2)c1ccccn1 ZINC000853064595 588718585 /nfs/dbraw/zinc/71/85/85/588718585.db2.gz WOWRNNANNQVTRE-AWEZNQCLSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H](OC(=O)CCC1CCCC1)c1nnc[nH]1 ZINC000853213467 588725314 /nfs/dbraw/zinc/72/53/14/588725314.db2.gz JNMKZFCHEKMBCY-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN Cc1ccccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853212417 588725376 /nfs/dbraw/zinc/72/53/76/588725376.db2.gz CTHWFMHSLNJGQY-SECBINFHSA-N 0 1 231.255 2.031 20 0 BEADMN Cc1oc(C)c(C(=O)O[C@@H](C)c2nnc[nH]2)c1C ZINC000853216872 588725410 /nfs/dbraw/zinc/72/54/10/588725410.db2.gz QAWVUTZTBBNLKK-VIFPVBQESA-N 0 1 249.270 2.241 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1F ZINC000853213535 588725435 /nfs/dbraw/zinc/72/54/35/588725435.db2.gz KCDZJUMSAFSUJT-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN CCc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1 ZINC000853215951 588725497 /nfs/dbraw/zinc/72/54/97/588725497.db2.gz VQIMJKJNZYWIQY-VIFPVBQESA-N 0 1 245.282 2.285 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1 ZINC000853215247 588725501 /nfs/dbraw/zinc/72/55/01/588725501.db2.gz PUYJMEILXBZJBL-VIFPVBQESA-N 0 1 231.255 2.031 20 0 BEADMN CC[C@H](CC(=O)O[C@H](C)c1nnc[nH]1)C(C)C ZINC000853219052 588725852 /nfs/dbraw/zinc/72/58/52/588725852.db2.gz FSRZZBABRKRETC-NXEZZACHSA-N 0 1 239.319 2.481 20 0 BEADMN CCc1ccccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853218636 588725882 /nfs/dbraw/zinc/72/58/82/588725882.db2.gz BPNXYTVCRKNWTA-VIFPVBQESA-N 0 1 245.282 2.285 20 0 BEADMN Cc1ccc(F)c(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853217741 588725930 /nfs/dbraw/zinc/72/59/30/588725930.db2.gz DKTXDRCIXOXCCU-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1ccc([C@H](C)C(=O)O[C@@H](C)c2nnc[nH]2)o1 ZINC000853220319 588726039 /nfs/dbraw/zinc/72/60/39/588726039.db2.gz KPVGTYYDWHWLMV-IUCAKERBSA-N 0 1 249.270 2.114 20 0 BEADMN Cc1cccc(C(=O)O[C@@H](C)c2nnc[nH]2)c1F ZINC000853219795 588726054 /nfs/dbraw/zinc/72/60/54/588726054.db2.gz HDUDHPMDTTVCOH-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN CCC(=CC(=O)O[C@H](C)c1nnc[nH]1)CC ZINC000853220297 588726140 /nfs/dbraw/zinc/72/61/40/588726140.db2.gz KEVNXVRQEWSQDA-MRVPVSSYSA-N 0 1 223.276 2.155 20 0 BEADMN CC[C@@H](C)CCC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222786 588726510 /nfs/dbraw/zinc/72/65/10/588726510.db2.gz BTQNKUIWOKMZJV-BDAKNGLRSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCCC2(CC2)C1)c1nnc[nH]1 ZINC000853227088 588727669 /nfs/dbraw/zinc/72/76/69/588727669.db2.gz LGYCKGVRBMNEDL-VHSXEESVSA-N 0 1 249.314 2.379 20 0 BEADMN C[C@H](OC(=O)C1CCC2(CC2)CC1)c1nnc[nH]1 ZINC000853227761 588727682 /nfs/dbraw/zinc/72/76/82/588727682.db2.gz SXJJXWHCTRGTAG-VIFPVBQESA-N 0 1 249.314 2.379 20 0 BEADMN CC[C@@H](C)CN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853494160 588746112 /nfs/dbraw/zinc/74/61/12/588746112.db2.gz KUKGLYCHEXFKJC-OLZOCXBDSA-N 0 1 240.391 2.426 20 0 BEADMN CCOC(=O)c1c[nH]c(=NOCC(C)C)s1 ZINC000853464327 588744733 /nfs/dbraw/zinc/74/47/33/588744733.db2.gz JCQMRVNTSDOYRW-UHFFFAOYSA-N 0 1 244.316 2.319 20 0 BEADMN O=C1CCCN1CN1CCC(C2CCC2)CC1 ZINC000853533766 588747738 /nfs/dbraw/zinc/74/77/38/588747738.db2.gz DIFPFDDEDLWWBA-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN O=C(NOc1ccccc1)[C@H]1CCCSC1 ZINC000854535768 588790969 /nfs/dbraw/zinc/79/09/69/588790969.db2.gz KEMHFYAEOCMYKP-JTQLQIEISA-N 0 1 237.324 2.240 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ncc[nH]1 ZINC000854594312 588796215 /nfs/dbraw/zinc/79/62/15/588796215.db2.gz ITSWNIDPEVGZBR-HSTULFTRSA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NOCCC1CC1 ZINC000854639696 588798565 /nfs/dbraw/zinc/79/85/65/588798565.db2.gz OUGJFDHDLVLECM-GHMZBOCLSA-N 0 1 241.331 2.038 20 0 BEADMN O=C(NOC1CCC1)[C@@H]1CCc2cc(F)ccc21 ZINC000854752647 588805481 /nfs/dbraw/zinc/80/54/81/588805481.db2.gz INGSZGFIUROKOZ-CYBMUJFWSA-N 0 1 249.285 2.456 20 0 BEADMN CC(C)(NC(=O)C(C)(F)F)C(F)(F)F ZINC000854905429 588816419 /nfs/dbraw/zinc/81/64/19/588816419.db2.gz RLFJIDSXQZTMNZ-UHFFFAOYSA-N 0 1 219.153 2.099 20 0 BEADMN CCC/C(C)=C\C(=O)N(C)Cc1cnc[nH]1 ZINC000855134416 588822653 /nfs/dbraw/zinc/82/26/53/588822653.db2.gz NSRDYYTZLORZPF-POHAHGRESA-N 0 1 221.304 2.115 20 0 BEADMN C[C@H]1CC/C(=C\C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000855134170 588822991 /nfs/dbraw/zinc/82/29/91/588822991.db2.gz HNVSSYNUZTYHTG-OTXQMUPVSA-N 0 1 233.315 2.115 20 0 BEADMN CC/C=C(\C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855167191 588824848 /nfs/dbraw/zinc/82/48/48/588824848.db2.gz XELLSFQWJUAZPU-YTRUQHMWSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)CCN(CN1C[C@H](C)CC1=O)C1CC1 ZINC000113239730 588827792 /nfs/dbraw/zinc/82/77/92/588827792.db2.gz FMMJFDWKERYETK-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)[C@H](C)CO1 ZINC000844391200 582580911 /nfs/dbraw/zinc/58/09/11/582580911.db2.gz NWIKZEOZTJCVOL-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1cnc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000844472793 582594552 /nfs/dbraw/zinc/59/45/52/582594552.db2.gz ZLNDAHXBCQKKSQ-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN CC/C(C)=C/C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000855487109 588837777 /nfs/dbraw/zinc/83/77/77/588837777.db2.gz RRYYWPXZJGQHLT-RSKUSDAESA-N 0 1 238.375 2.285 20 0 BEADMN CCC/C=C\C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000855485731 588837896 /nfs/dbraw/zinc/83/78/96/588837896.db2.gz GXTKOJJFLBOUEE-YXVBKTCISA-N 0 1 238.375 2.285 20 0 BEADMN Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000113396980 588838284 /nfs/dbraw/zinc/83/82/84/588838284.db2.gz QSJANBLQCWLCQB-DGCLKSJQSA-N 0 1 233.311 2.148 20 0 BEADMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000891402191 582678172 /nfs/dbraw/zinc/67/81/72/582678172.db2.gz OPAMOHNBCJIUPV-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccc(OC)o2)C1 ZINC000891402191 582678173 /nfs/dbraw/zinc/67/81/73/582678173.db2.gz OPAMOHNBCJIUPV-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CC(C)Cc1ccc(CN2CCC(O)CC2)cn1 ZINC000891491551 582692160 /nfs/dbraw/zinc/69/21/60/582692160.db2.gz PMUSGXGOECFXJX-UHFFFAOYSA-N 0 1 248.370 2.237 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1nccn1C1CC1 ZINC000891644309 582704506 /nfs/dbraw/zinc/70/45/06/582704506.db2.gz VCYYAGGDZAGCAY-SNVBAGLBSA-N 0 1 219.332 2.448 20 0 BEADMN COc1nccc(CN(C)[C@H](C)C2CC2)c1F ZINC000891643992 582705340 /nfs/dbraw/zinc/70/53/40/582705340.db2.gz PQNVZWKVELDFRO-SECBINFHSA-N 0 1 238.306 2.460 20 0 BEADMN COc1nccc(CN(C)[C@@H](C)C2CC2)c1F ZINC000891643993 582705763 /nfs/dbraw/zinc/70/57/63/582705763.db2.gz PQNVZWKVELDFRO-VIFPVBQESA-N 0 1 238.306 2.460 20 0 BEADMN CCN(Cc1nccn1C1CC1)C[C@H]1CCOC1 ZINC000891659181 582706795 /nfs/dbraw/zinc/70/67/95/582706795.db2.gz FTTXVDUYWJYUMM-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000891693338 582710743 /nfs/dbraw/zinc/71/07/43/582710743.db2.gz ZENJWUBAMXFWQP-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN c1cc2c(cc1CN1CCCOCC1)CCCO2 ZINC000891721474 582714021 /nfs/dbraw/zinc/71/40/21/582714021.db2.gz ZDGCSQSMOISHGR-UHFFFAOYSA-N 0 1 247.338 2.234 20 0 BEADMN Cc1cccc(CN(C)c2nc(C)cc(N)n2)c1 ZINC000891916526 582737632 /nfs/dbraw/zinc/73/76/32/582737632.db2.gz CRABIBYFCQBSRV-UHFFFAOYSA-N 0 1 242.326 2.312 20 0 BEADMN Cc1cc(F)ncc1C[N@H+]1CCCO[C@H](C)C1 ZINC000891917351 582737935 /nfs/dbraw/zinc/73/79/35/582737935.db2.gz QQWFHJLSZCZZAT-LLVKDONJSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(F)ncc1CN1CCCO[C@H](C)C1 ZINC000891917351 582737937 /nfs/dbraw/zinc/73/79/37/582737937.db2.gz QQWFHJLSZCZZAT-LLVKDONJSA-N 0 1 238.306 2.140 20 0 BEADMN CCOc1ccc(CN2CCOC[C@H](C)C2)o1 ZINC000892077064 582787094 /nfs/dbraw/zinc/78/70/94/582787094.db2.gz MFBCIEYQFKXGJX-LLVKDONJSA-N 0 1 239.315 2.147 20 0 BEADMN CC[C@@H](NC)c1nc(-c2cc(C)ccn2)no1 ZINC000104415665 582793456 /nfs/dbraw/zinc/79/34/56/582793456.db2.gz VRSNMYQQZIRLII-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN COCCOc1ccc(CN2CCCCC2)o1 ZINC000892252361 582813981 /nfs/dbraw/zinc/81/39/81/582813981.db2.gz PKYIDJPXVWWWFW-UHFFFAOYSA-N 0 1 239.315 2.291 20 0 BEADMN Clc1cnc(N[C@H]2CCN(C3CC3)C2)s1 ZINC000393615734 582824564 /nfs/dbraw/zinc/82/45/64/582824564.db2.gz PPTJQKAZHVRCIH-ZETCQYMHSA-N 0 1 243.763 2.445 20 0 BEADMN CCC1(C)CCN(CN2CCOC2=S)CC1 ZINC000725777798 582848577 /nfs/dbraw/zinc/84/85/77/582848577.db2.gz LGIXSXODAQXQPE-UHFFFAOYSA-N 0 1 242.388 2.073 20 0 BEADMN CCc1cc(CNc2cccc([C@@H](C)O)n2)n[nH]1 ZINC000892504745 582900881 /nfs/dbraw/zinc/90/08/81/582900881.db2.gz ALSLJMVLGQHSIV-SECBINFHSA-N 0 1 246.314 2.033 20 0 BEADMN C[C@@H]1CN(C)C(=O)CN1CC1CCCCCC1 ZINC000782596361 582918498 /nfs/dbraw/zinc/91/84/98/582918498.db2.gz QSKWBKGVDHMMSD-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C(C)(C)C2CC2)n[nH]1 ZINC000840574459 582924122 /nfs/dbraw/zinc/92/41/22/582924122.db2.gz VRBVNDIPGGOVRS-SSDOTTSWSA-N 0 1 237.303 2.154 20 0 BEADMN COc1cccc(CNc2nccn2C2CC2)n1 ZINC000840887323 582948365 /nfs/dbraw/zinc/94/83/65/582948365.db2.gz WWYIQOHHLQUIRB-UHFFFAOYSA-N 0 1 244.298 2.234 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840577281 582949459 /nfs/dbraw/zinc/94/94/59/582949459.db2.gz WNTGLAKWBATDTC-FXBDTBDDSA-N 0 1 237.303 2.154 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1Cc1cnon1 ZINC000851786552 582966880 /nfs/dbraw/zinc/96/68/80/582966880.db2.gz YEQIJUGXJAYJNV-VHSXEESVSA-N 0 1 209.293 2.080 20 0 BEADMN c1c(CN2CC[C@@H]3C[C@@H]32)onc1C1CC1 ZINC000851877500 582974863 /nfs/dbraw/zinc/97/48/63/582974863.db2.gz JLKIGUIKPMIFJK-SKDRFNHKSA-N 0 1 204.273 2.146 20 0 BEADMN C[C@H](OC(=O)C[C@@H]1CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219022 583029993 /nfs/dbraw/zinc/02/99/93/583029993.db2.gz CNBVFDSNISJGAQ-KXUCPTDWSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)C1C(C)(C)C1(C)C)c1nnc[nH]1 ZINC000853219943 583031584 /nfs/dbraw/zinc/03/15/84/583031584.db2.gz IZYURIJSUCNWON-ZETCQYMHSA-N 0 1 237.303 2.091 20 0 BEADMN Cn1cc(CNCCC(F)(F)F)c(Cl)n1 ZINC000856772441 588876931 /nfs/dbraw/zinc/87/69/31/588876931.db2.gz SSPGUTZFJUCBTQ-UHFFFAOYSA-N 0 1 241.644 2.116 20 0 BEADMN O=C(NOCC1CCC1)[C@H]1CC1(Cl)Cl ZINC000856346063 588868694 /nfs/dbraw/zinc/86/86/94/588868694.db2.gz NQBKIYBKIQWXPJ-SSDOTTSWSA-N 0 1 238.114 2.028 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(Cl)nc1 ZINC000112825853 583095550 /nfs/dbraw/zinc/09/55/50/583095550.db2.gz FEJBRUGKLHGBIU-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN O=C(NOCC1CCC1)[C@@H]1Cc2ccccc21 ZINC000856349372 588869555 /nfs/dbraw/zinc/86/95/55/588869555.db2.gz MGVBRYZYFXFNQJ-CYBMUJFWSA-N 0 1 231.295 2.174 20 0 BEADMN C[C@H]1C[C@H](NCc2cn(C)nc2Cl)CS1 ZINC000856790578 588878067 /nfs/dbraw/zinc/87/80/67/588878067.db2.gz FRJAGYNGDWTKTN-CBAPKCEASA-N 0 1 245.779 2.057 20 0 BEADMN COc1ccc(CN2CCC(C)(OC)CC2)o1 ZINC000893426137 583141288 /nfs/dbraw/zinc/14/12/88/583141288.db2.gz BLHVLHPWEWVWNE-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC000893873537 583238894 /nfs/dbraw/zinc/23/88/94/583238894.db2.gz QTHGOHGNLXTVON-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC000893873537 583238898 /nfs/dbraw/zinc/23/88/98/583238898.db2.gz QTHGOHGNLXTVON-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN Cc1cc(N)nc(N2CCC(C)(C3CC3)CC2)n1 ZINC000893914204 583245652 /nfs/dbraw/zinc/24/56/52/583245652.db2.gz UPHOIHXWMSCYBH-UHFFFAOYSA-N 0 1 246.358 2.384 20 0 BEADMN CCCCCN(CCO)Cc1[nH]nc(C)c1C ZINC000893921414 583248062 /nfs/dbraw/zinc/24/80/62/583248062.db2.gz LIVQEMLBUZPZIT-UHFFFAOYSA-N 0 1 239.363 2.011 20 0 BEADMN COCCN(C)Cc1ccc(SC)o1 ZINC000893922257 583248696 /nfs/dbraw/zinc/24/86/96/583248696.db2.gz CAZCGYQETYPSCN-UHFFFAOYSA-N 0 1 215.318 2.080 20 0 BEADMN CC[C@H]1CN(Cc2ccc(SC)o2)C[C@H]1O ZINC000894095383 583301058 /nfs/dbraw/zinc/30/10/58/583301058.db2.gz QSZQLZDDBNSKSV-GXSJLCMTSA-N 0 1 241.356 2.204 20 0 BEADMN CC1(C)C[C@@H](O)CN(Cc2ccccc2F)C1 ZINC000877752083 583345422 /nfs/dbraw/zinc/34/54/22/583345422.db2.gz CSKKXOJYRVWNEF-GFCCVEGCSA-N 0 1 237.318 2.419 20 0 BEADMN CC[C@H]1CN(C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877958808 583354770 /nfs/dbraw/zinc/35/47/70/583354770.db2.gz XJHILWSZQKXSLO-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2CCC(C)(C)CO2)[C@H]1C ZINC000878198127 583367563 /nfs/dbraw/zinc/36/75/63/583367563.db2.gz SRYMSDKWMZKWIP-RWMBFGLXSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1conc1CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000878406776 583372450 /nfs/dbraw/zinc/37/24/50/583372450.db2.gz CUUXCHBOMDOZGS-CHWSQXEVSA-N 0 1 236.315 2.030 20 0 BEADMN COCC1(C(=O)NOCC2CC2)CCCCC1 ZINC000857269367 588902091 /nfs/dbraw/zinc/90/20/91/588902091.db2.gz PCCPUAZNTANUGN-UHFFFAOYSA-N 0 1 241.331 2.041 20 0 BEADMN C[C@H](CNC(=O)CN1CCCC1)c1ccccc1 ZINC000726874545 583380320 /nfs/dbraw/zinc/38/03/20/583380320.db2.gz AXXYFPCHURJIJV-CYBMUJFWSA-N 0 1 246.354 2.002 20 0 BEADMN Cc1ncoc1CNCc1cccc(N(C)C)c1 ZINC000894239689 583387166 /nfs/dbraw/zinc/38/71/66/583387166.db2.gz MSICIKYUYHJERV-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN Cc1ccc([C@@H]2CCCN2CN2CCC2=O)cc1 ZINC000857229100 588896496 /nfs/dbraw/zinc/89/64/96/588896496.db2.gz JHPJKXHQPKMWOY-AWEZNQCLSA-N 0 1 244.338 2.322 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000879327543 583425942 /nfs/dbraw/zinc/42/59/42/583425942.db2.gz WKHNDLPMSFOKJT-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000894343152 583429690 /nfs/dbraw/zinc/42/96/90/583429690.db2.gz PPFOTGPDJVAIPI-QWRGUYRKSA-N 0 1 232.331 2.136 20 0 BEADMN CC[C@@H](C)CN(CC)CN1CCSC1=O ZINC000748260793 583453910 /nfs/dbraw/zinc/45/39/10/583453910.db2.gz BRLJJAIAHTUASJ-SNVBAGLBSA-N 0 1 230.377 2.481 20 0 BEADMN CC[C@H](C)CN(CC)CN1CCSC1=O ZINC000748260792 583453948 /nfs/dbraw/zinc/45/39/48/583453948.db2.gz BRLJJAIAHTUASJ-JTQLQIEISA-N 0 1 230.377 2.481 20 0 BEADMN O=c1oc2ccc(CN3CC=CCC3)cc2o1 ZINC000894421442 583455584 /nfs/dbraw/zinc/45/55/84/583455584.db2.gz AFHOBIVSXLEVMC-UHFFFAOYSA-N 0 1 231.251 2.148 20 0 BEADMN CSc1ccc(CN2CC[C@H](O)[C@H](C)C2)o1 ZINC000894496816 583473424 /nfs/dbraw/zinc/47/34/24/583473424.db2.gz FTELHXWPVYUHKA-KOLCDFICSA-N 0 1 241.356 2.204 20 0 BEADMN CSc1ccc(CN2CC[C@H](O)[C@@H](C)C2)o1 ZINC000894496818 583473684 /nfs/dbraw/zinc/47/36/84/583473684.db2.gz FTELHXWPVYUHKA-ONGXEEELSA-N 0 1 241.356 2.204 20 0 BEADMN C[C@@]1(Br)C[C@@H]1CN1CC[C@@H](F)C1 ZINC000894705228 583512088 /nfs/dbraw/zinc/51/20/88/583512088.db2.gz ALOBUJNSEKEGHQ-IWSPIJDZSA-N 0 1 236.128 2.204 20 0 BEADMN CC[C@@H]1C[C@H](CN(C)Cc2ncc[nH]2)CCO1 ZINC000894586299 583488941 /nfs/dbraw/zinc/48/89/41/583488941.db2.gz MVBMMFNPHPPRNP-VXGBXAGGSA-N 0 1 237.347 2.047 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1ccc2oc(=O)oc2c1 ZINC000894601459 583490857 /nfs/dbraw/zinc/49/08/57/583490857.db2.gz SBHUPMAAUVXCNZ-IUCAKERBSA-N 0 1 233.267 2.369 20 0 BEADMN CCn1cc(CN2C[C@H](C)[C@@H]2C)c(C)n1 ZINC000894627815 583495296 /nfs/dbraw/zinc/49/52/96/583495296.db2.gz KVNWOLQLGNLZRB-ONGXEEELSA-N 0 1 207.321 2.052 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@H](C)[C@H]1C ZINC000894627758 583495511 /nfs/dbraw/zinc/49/55/11/583495511.db2.gz JXEMXPWDFJEIJA-VHSXEESVSA-N 0 1 208.280 2.369 20 0 BEADMN C[C@H](F)CCNCc1nnc(C2CC2)s1 ZINC000894623176 583496564 /nfs/dbraw/zinc/49/65/64/583496564.db2.gz FRQKALYCARXWDN-ZETCQYMHSA-N 0 1 229.324 2.253 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)[C@@H]1C ZINC000894629200 583497636 /nfs/dbraw/zinc/49/76/36/583497636.db2.gz VXOIBJBSRGVHMC-GHMZBOCLSA-N 0 1 219.332 2.448 20 0 BEADMN CSCCCN(C)Cc1ocnc1C ZINC000894650682 583500228 /nfs/dbraw/zinc/50/02/28/583500228.db2.gz AAXVUCUCGQVTSY-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN CCOc1ccc(C[N@H+]2CCC[C@H](O)CC2)o1 ZINC000894652194 583501378 /nfs/dbraw/zinc/50/13/78/583501378.db2.gz YFANUIHUDFBNPA-NSHDSACASA-N 0 1 239.315 2.025 20 0 BEADMN CCOc1ccc(CN2CCC[C@H](O)CC2)o1 ZINC000894652194 583501380 /nfs/dbraw/zinc/50/13/80/583501380.db2.gz YFANUIHUDFBNPA-NSHDSACASA-N 0 1 239.315 2.025 20 0 BEADMN CCCSC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000894668611 583503073 /nfs/dbraw/zinc/50/30/73/583503073.db2.gz OHGYCOCFSMJKBS-QWRGUYRKSA-N 0 1 239.388 2.449 20 0 BEADMN CCCSC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000894668612 583503220 /nfs/dbraw/zinc/50/32/20/583503220.db2.gz OHGYCOCFSMJKBS-WDEREUQCSA-N 0 1 239.388 2.449 20 0 BEADMN COCCCC1(CNC(CF)CF)CCC1 ZINC000894669186 583503477 /nfs/dbraw/zinc/50/34/77/583503477.db2.gz ZCFLZMAFSXHRTF-UHFFFAOYSA-N 0 1 235.318 2.481 20 0 BEADMN COc1nccc(CNCCC(C)(F)F)c1F ZINC000894659356 583504643 /nfs/dbraw/zinc/50/46/43/583504643.db2.gz SWRZOMQYVSFCRV-UHFFFAOYSA-N 0 1 248.248 2.364 20 0 BEADMN COc1cc(CN2CCC[C@@H](CF)C2)ccn1 ZINC000880236842 583506377 /nfs/dbraw/zinc/50/63/77/583506377.db2.gz KJDMHXFNQRRLAR-LBPRGKRZSA-N 0 1 238.306 2.272 20 0 BEADMN CC/C=C/CNCc1ccnc(OC)c1F ZINC000894703984 583510439 /nfs/dbraw/zinc/51/04/39/583510439.db2.gz PXOXIHZLPIVHBS-SNAWJCMRSA-N 0 1 224.279 2.285 20 0 BEADMN Clc1nc2[nH]cnc2c(NCC2CC=CC2)n1 ZINC000894715485 583511292 /nfs/dbraw/zinc/51/12/92/583511292.db2.gz NLTKKSHQIJZSFM-UHFFFAOYSA-N 0 1 249.705 2.336 20 0 BEADMN CCc1nc(CNC2CCC(C)(O)CC2)co1 ZINC000894746277 583515440 /nfs/dbraw/zinc/51/54/40/583515440.db2.gz VXLCONGMKWFBHT-UHFFFAOYSA-N 0 1 238.331 2.020 20 0 BEADMN O[C@H](CN1CCC(F)CC1)c1cccc(F)c1 ZINC000880243152 583516173 /nfs/dbraw/zinc/51/61/73/583516173.db2.gz VLPAORIIJXGHOM-CYBMUJFWSA-N 0 1 241.281 2.293 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nccn1C1CC1 ZINC000894782498 583521467 /nfs/dbraw/zinc/52/14/67/583521467.db2.gz LGZIGZREAJRNPL-CHWSQXEVSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H](CCO)Nc1ccc2cnccc2c1 ZINC000894809807 583523647 /nfs/dbraw/zinc/52/36/47/583523647.db2.gz XZDQTAHIJFNXIB-JTQLQIEISA-N 0 1 216.284 2.418 20 0 BEADMN O=c1oc2ccc(CN3CC(C4CC4)C3)cc2o1 ZINC000894814087 583523988 /nfs/dbraw/zinc/52/39/88/583523988.db2.gz TUTFOSJPKUEMNP-UHFFFAOYSA-N 0 1 245.278 2.228 20 0 BEADMN COC1CN(C[C@H]2CCc3ccccc32)C1 ZINC000894820309 583525187 /nfs/dbraw/zinc/52/51/87/583525187.db2.gz VPBMCAPMRBKYBL-GFCCVEGCSA-N 0 1 217.312 2.047 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(n2)CCC3)[C@H]1C ZINC000894860621 583534687 /nfs/dbraw/zinc/53/46/87/583534687.db2.gz QDMPMRGFWHTNFE-MNOVXSKESA-N 0 1 216.328 2.411 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(n2)CCC3)[C@@H]1C ZINC000894860520 583534698 /nfs/dbraw/zinc/53/46/98/583534698.db2.gz QDMPMRGFWHTNFE-GHMZBOCLSA-N 0 1 216.328 2.411 20 0 BEADMN Cc1c(CN2C[C@@H](C)[C@H]2C)ccnc1F ZINC000894862214 583534937 /nfs/dbraw/zinc/53/49/37/583534937.db2.gz UJAANQFLNJDYIA-PSASIEDQSA-N 0 1 208.280 2.369 20 0 BEADMN COc1cncc(CN2C[C@@H](C)[C@@H]2C)c1C ZINC000894862407 583537258 /nfs/dbraw/zinc/53/72/58/583537258.db2.gz XSLMCPLAONGREX-KOLCDFICSA-N 0 1 220.316 2.239 20 0 BEADMN COc1nccc(CN[C@H]2CC2(C)C)c1F ZINC000894901054 583551832 /nfs/dbraw/zinc/55/18/32/583551832.db2.gz QWUUZXMRIAPFGW-VIFPVBQESA-N 0 1 224.279 2.117 20 0 BEADMN COC[C@@H]1CCC[N@@H+](Cc2ocnc2C)CC1 ZINC000894953656 583559618 /nfs/dbraw/zinc/55/96/18/583559618.db2.gz PYRLBZZZSVGJPD-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CCC1CN(Cc2cnc3onc(C)c3c2)C1 ZINC000894970269 583560558 /nfs/dbraw/zinc/56/05/58/583560558.db2.gz XMLMLMJAWQBWHH-UHFFFAOYSA-N 0 1 231.299 2.373 20 0 BEADMN Cl/C=C/CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000749113408 583580934 /nfs/dbraw/zinc/58/09/34/583580934.db2.gz GGPBTVCLWYTGQW-ZGTSGANGSA-N 0 1 245.750 2.009 20 0 BEADMN Cc1[nH]nc(CN2CCOC[C@@H]2C2CCC2)c1C ZINC000895085637 583583764 /nfs/dbraw/zinc/58/37/64/583583764.db2.gz NTSXWJFEKICUJV-CQSZACIVSA-N 0 1 249.358 2.027 20 0 BEADMN CCn1cc(N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000857858782 588913879 /nfs/dbraw/zinc/91/38/79/588913879.db2.gz AXCRACBNTPLEPJ-LLVKDONJSA-N 0 1 231.303 2.116 20 0 BEADMN CCN(CCSC)Cc1[nH]nc(C)c1C ZINC000895088035 583584763 /nfs/dbraw/zinc/58/47/63/583584763.db2.gz GNZADTCPRYYKMQ-UHFFFAOYSA-N 0 1 227.377 2.211 20 0 BEADMN CC(C)(C)OCCN[C@H]1CCCc2c[nH]nc21 ZINC000857859568 588914089 /nfs/dbraw/zinc/91/40/89/588914089.db2.gz GPVNCUNWFCBZJL-NSHDSACASA-N 0 1 237.347 2.192 20 0 BEADMN CCN(CCSC)Cc1ccc(OC)o1 ZINC000895124366 583597402 /nfs/dbraw/zinc/59/74/02/583597402.db2.gz JWBSWQFONMWGAG-UHFFFAOYSA-N 0 1 229.345 2.473 20 0 BEADMN CCc1nn(C)cc1N[C@@H]1CCCc2cn[nH]c21 ZINC000857863017 588915048 /nfs/dbraw/zinc/91/50/48/588915048.db2.gz OTVCWEAWBBGAGO-LLVKDONJSA-N 0 1 245.330 2.195 20 0 BEADMN COc1ccc(N[C@@H]2CCCc3cn[nH]c32)nc1 ZINC000857861853 588915201 /nfs/dbraw/zinc/91/52/01/588915201.db2.gz WWTGAQIQTIPILN-LLVKDONJSA-N 0 1 244.298 2.303 20 0 BEADMN Cc1n[nH]c(CN2CC[C@]3(CC3(F)F)C2)c1C ZINC000895149433 583605560 /nfs/dbraw/zinc/60/55/60/583605560.db2.gz GYUXOTRGVZNKNS-NSHDSACASA-N 0 1 241.285 2.258 20 0 BEADMN Cc1ncoc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000895149948 583605950 /nfs/dbraw/zinc/60/59/50/583605950.db2.gz UYAZEPNAVCNZSJ-SNVBAGLBSA-N 0 1 228.242 2.214 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nccn1C1CC1 ZINC000895153995 583607550 /nfs/dbraw/zinc/60/75/50/583607550.db2.gz VMORPQMZNAAZRN-CHWSQXEVSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H](COCC1CC1)NCc1nccn1C1CC1 ZINC000895169374 583611991 /nfs/dbraw/zinc/61/19/91/583611991.db2.gz HVMRUQAFQWRPKT-NSHDSACASA-N 0 1 249.358 2.123 20 0 BEADMN CCc1nc(CN[C@H]2CCCc3cn[nH]c32)co1 ZINC000857869421 588916693 /nfs/dbraw/zinc/91/66/93/588916693.db2.gz OBOFLOGNDYZLPE-NSHDSACASA-N 0 1 246.314 2.127 20 0 BEADMN c1ncc(CNc2cncc3c2CCCC3)[nH]1 ZINC000895224840 583628892 /nfs/dbraw/zinc/62/88/92/583628892.db2.gz FVSIRUORXSGRPH-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)O[C@H](C)CC(C)C ZINC000882764160 583633323 /nfs/dbraw/zinc/63/33/23/583633323.db2.gz LPEVVOQQEXHIRS-VXGBXAGGSA-N 0 1 242.363 2.241 20 0 BEADMN COc1cccc(C)c1CNC[C@@H]1CC(C)=NO1 ZINC000895300619 583642275 /nfs/dbraw/zinc/64/22/75/583642275.db2.gz OROYDBRELOVQFZ-LBPRGKRZSA-N 0 1 248.326 2.258 20 0 BEADMN CC1=NO[C@@H](CNCc2cccc(C)c2F)C1 ZINC000895305908 583643726 /nfs/dbraw/zinc/64/37/26/583643726.db2.gz ZXRVGGRIIABIHW-GFCCVEGCSA-N 0 1 236.290 2.389 20 0 BEADMN CC1=NO[C@H](CNCc2cc(F)ccc2C)C1 ZINC000895306978 583645647 /nfs/dbraw/zinc/64/56/47/583645647.db2.gz LYCWHEDAMQUQEH-ZDUSSCGKSA-N 0 1 236.290 2.389 20 0 BEADMN CC1=NO[C@H](CNCc2ccccc2N(C)C)C1 ZINC000895309311 583646258 /nfs/dbraw/zinc/64/62/58/583646258.db2.gz SXZWRSLZLPFICF-ZDUSSCGKSA-N 0 1 247.342 2.007 20 0 BEADMN CC1=NO[C@@H](CNCc2cc(F)cc(F)c2)C1 ZINC000895309872 583646530 /nfs/dbraw/zinc/64/65/30/583646530.db2.gz WMGZGLAHGQERQN-GFCCVEGCSA-N 0 1 240.253 2.219 20 0 BEADMN CCOc1ccccc1CNC[C@H]1CC(C)=NO1 ZINC000895311791 583646946 /nfs/dbraw/zinc/64/69/46/583646946.db2.gz RMVCVPPDLCPNNP-CYBMUJFWSA-N 0 1 248.326 2.340 20 0 BEADMN Cc1cc(CNC[C@H]2CC(C)=NO2)c(C)o1 ZINC000895310345 583647243 /nfs/dbraw/zinc/64/72/43/583647243.db2.gz ZSDVHJCNLQOSSC-GFCCVEGCSA-N 0 1 222.288 2.151 20 0 BEADMN Cc1ncoc1CN1CCC(c2ccon2)CC1 ZINC000895333527 583652125 /nfs/dbraw/zinc/65/21/25/583652125.db2.gz AKFRYNKXWWCCQA-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CO[C@H](CNCc1ocnc1C)C1CCCC1 ZINC000895336818 583653768 /nfs/dbraw/zinc/65/37/68/583653768.db2.gz UQUIGGTZYUCFJD-CYBMUJFWSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1ccnc(N)c1CN(C)CC1=CCSC1 ZINC000895349463 583656017 /nfs/dbraw/zinc/65/60/17/583656017.db2.gz GVOOOYDWJFMYFC-UHFFFAOYSA-N 0 1 249.383 2.077 20 0 BEADMN c1cc(CCNCc2nnc(C3CC3)s2)co1 ZINC000895372596 583661636 /nfs/dbraw/zinc/66/16/36/583661636.db2.gz FAEOCPHSAYDCCI-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CSC1CCN(Cc2[nH]nc(C)c2C)CC1 ZINC000895415930 583667425 /nfs/dbraw/zinc/66/74/25/583667425.db2.gz PBFGPPWVMDVSQS-UHFFFAOYSA-N 0 1 239.388 2.354 20 0 BEADMN COc1ccc(CNCC2SCCS2)o1 ZINC000895448816 583675744 /nfs/dbraw/zinc/67/57/44/583675744.db2.gz TWKBNXFUEDVJLY-UHFFFAOYSA-N 0 1 245.369 2.184 20 0 BEADMN C[N@@H+](CCC[C@H]1CCO1)Cc1ccns1 ZINC000895452807 583676874 /nfs/dbraw/zinc/67/68/74/583676874.db2.gz XMQGNEGMZSKQAS-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CN(CCC[C@H]1CCO1)Cc1ccns1 ZINC000895452807 583676876 /nfs/dbraw/zinc/67/68/76/583676876.db2.gz XMQGNEGMZSKQAS-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN Cc1ncoc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000895475616 583679212 /nfs/dbraw/zinc/67/92/12/583679212.db2.gz YRMWMMWMNAGSRH-SDDRHHMPSA-N 0 1 236.315 2.030 20 0 BEADMN CN(Cc1cc(O)cc(Cl)c1)C1(CO)CC1 ZINC000895475403 583679431 /nfs/dbraw/zinc/67/94/31/583679431.db2.gz HRQBPENDZVJGJA-UHFFFAOYSA-N 0 1 241.718 2.002 20 0 BEADMN Cc1nc(F)ccc1CN1CCC(F)CC1 ZINC000895547330 583686603 /nfs/dbraw/zinc/68/66/03/583686603.db2.gz UQYHRPXQCLJDTD-UHFFFAOYSA-N 0 1 226.270 2.463 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@@H]3C2)n(C2CCC2)n1 ZINC000895557371 583690435 /nfs/dbraw/zinc/69/04/35/583690435.db2.gz GNNMVPDYNYZVRV-PHIMTYICSA-N 0 1 217.316 2.060 20 0 BEADMN CCn1cc(CNCc2cccnc2C)c(C)n1 ZINC000895619768 583697153 /nfs/dbraw/zinc/69/71/53/583697153.db2.gz WHIQXHHPEZCCJX-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1c(Cl)cccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895647000 583698849 /nfs/dbraw/zinc/69/88/49/583698849.db2.gz ZVBMIUNKJHBIID-AAEUAGOBSA-N 0 1 237.730 2.215 20 0 BEADMN CCCN(CC)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895665507 583705024 /nfs/dbraw/zinc/70/50/24/583705024.db2.gz KQTHQJVWYZBNBY-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895702189 583709846 /nfs/dbraw/zinc/70/98/46/583709846.db2.gz JHTGSICMNZTMCA-NWDGAFQWSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)(C)CCNC(=O)c1cncc2nc[nH]c21 ZINC000895708183 583711946 /nfs/dbraw/zinc/71/19/46/583711946.db2.gz QJFLXHUDPVMAPS-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000895708175 583712005 /nfs/dbraw/zinc/71/20/05/583712005.db2.gz ZRASOMMDHGMBJI-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN FC(F)c1noc(CNC2CCCCC2)n1 ZINC000895727173 583713789 /nfs/dbraw/zinc/71/37/89/583713789.db2.gz QHQCINDBJKTBCU-UHFFFAOYSA-N 0 1 231.246 2.430 20 0 BEADMN C[C@@H]1[C@@H](Nc2nc3c(cccc3F)o2)CC[N@H+]1C ZINC000895737116 583717785 /nfs/dbraw/zinc/71/77/85/583717785.db2.gz RDLIPJXVWZUWFB-SCZZXKLOSA-N 0 1 249.289 2.471 20 0 BEADMN C[C@H](C[C@H]1CCOC1)N[C@@H](C)c1ncco1 ZINC000895764507 583722813 /nfs/dbraw/zinc/72/28/13/583722813.db2.gz IFIXEXFKEWMADV-OUAUKWLOSA-N 0 1 224.304 2.140 20 0 BEADMN CN1CC[C@H]1CNc1cc2c(F)cccc2cn1 ZINC000895767552 583723154 /nfs/dbraw/zinc/72/31/54/583723154.db2.gz NIRBYAZTMDKVGS-NSHDSACASA-N 0 1 245.301 2.490 20 0 BEADMN Cc1cc(F)ncc1CN[C@H](C)c1ccnn1C ZINC000895863821 583736232 /nfs/dbraw/zinc/73/62/32/583736232.db2.gz KMLQQKPHMXDMIN-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN CN(CCCF)Cc1cnc(C2CC2)nc1 ZINC000895896430 583743274 /nfs/dbraw/zinc/74/32/74/583743274.db2.gz UKQYQAMDIXFDQM-UHFFFAOYSA-N 0 1 223.295 2.145 20 0 BEADMN COc1cncc(CN(C)CCCF)c1C ZINC000895896714 583744498 /nfs/dbraw/zinc/74/44/98/583744498.db2.gz ZVFNAOWSECHEHP-UHFFFAOYSA-N 0 1 226.295 2.190 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2[nH]nc(C)c2C)C1 ZINC000895927652 583748347 /nfs/dbraw/zinc/74/83/47/583748347.db2.gz OJCVYCJGTHCDLX-JOYOIKCWSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1ncc2n1C[C@@H](c1nc(C(C)C)no1)CC2 ZINC000895951604 583751573 /nfs/dbraw/zinc/75/15/73/583751573.db2.gz DIBKSBHEPKXHKM-JTQLQIEISA-N 0 1 246.314 2.428 20 0 BEADMN COCC1CN(Cc2ccc(C)cc2F)C1 ZINC000895976064 583753448 /nfs/dbraw/zinc/75/34/48/583753448.db2.gz LJMBDRYSRSAJLY-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN CO[C@@H]1CN(C[C@@H]2CC(C)=C[C@H](C)C2)CCO1 ZINC000895968125 583754361 /nfs/dbraw/zinc/75/43/61/583754361.db2.gz HXOZTXMODWWKGA-UBHSHLNASA-N 0 1 239.359 2.284 20 0 BEADMN CO[C@H]1CN(C[C@H](C)Cc2ccccc2)CCO1 ZINC000895968223 583754572 /nfs/dbraw/zinc/75/45/72/583754572.db2.gz KDIADIOPEWHEJH-UKRRQHHQSA-N 0 1 249.354 2.170 20 0 BEADMN COCC1CN(Cc2cc(C)ccc2F)C1 ZINC000895971190 583756191 /nfs/dbraw/zinc/75/61/91/583756191.db2.gz NIOMMVFWCAWUKZ-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN COCC1CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000895972398 583756845 /nfs/dbraw/zinc/75/68/45/583756845.db2.gz XPSKIZUXLLBGCO-GWCFXTLKSA-N 0 1 235.327 2.481 20 0 BEADMN CCOc1ccc(CN2CC(COC)C2)cc1 ZINC000895972346 583756982 /nfs/dbraw/zinc/75/69/82/583756982.db2.gz WXUSPLNWJQHLDW-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN CCC/C(C)=C/C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000727742265 583759869 /nfs/dbraw/zinc/75/98/69/583759869.db2.gz GYALFIHDQSRCLL-LMMOQWNQSA-N 0 1 238.375 2.332 20 0 BEADMN c1cn(C2CC2)c(CN2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000896045068 583765544 /nfs/dbraw/zinc/76/55/44/583765544.db2.gz CNXKPVIFPBHSDF-PHIMTYICSA-N 0 1 249.383 2.013 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896093515 583770810 /nfs/dbraw/zinc/77/08/10/583770810.db2.gz APMNUKCOPVZWTR-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000896187684 583781432 /nfs/dbraw/zinc/78/14/32/583781432.db2.gz RVZLNKFFDFPNKC-WOPDTQHZSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1nc([C@H]2CCN(Cc3ccoc3C)C2)no1 ZINC000896233916 583784428 /nfs/dbraw/zinc/78/44/28/583784428.db2.gz ZLKOEWGYOXSGJV-LBPRGKRZSA-N 0 1 247.298 2.269 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896289727 583789045 /nfs/dbraw/zinc/78/90/45/583789045.db2.gz FISRTDDZVYFMAH-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CO[C@]12CCC[C@@]1(NCc1ccco1)CCO2 ZINC000896416058 583801330 /nfs/dbraw/zinc/80/13/30/583801330.db2.gz WIABGANMZDPAPB-OLZOCXBDSA-N 0 1 237.299 2.055 20 0 BEADMN Cc1ncc(CNCc2ccnc(F)c2)s1 ZINC000858127850 588934260 /nfs/dbraw/zinc/93/42/60/588934260.db2.gz RQMVXKKXIMBXFN-UHFFFAOYSA-N 0 1 237.303 2.275 20 0 BEADMN CCC[C@@H](CN1CCn2cccc2C1)OC ZINC000896761643 583831478 /nfs/dbraw/zinc/83/14/78/583831478.db2.gz SBPSVGNARDZFBE-ZDUSSCGKSA-N 0 1 222.332 2.119 20 0 BEADMN Cc1ccnc(NCC2(C3(O)CCC3)CC2)c1 ZINC000896809258 583835640 /nfs/dbraw/zinc/83/56/40/583835640.db2.gz IQEQAYSEQKHPMM-UHFFFAOYSA-N 0 1 232.327 2.497 20 0 BEADMN CCn1cc([C@H](C)NCc2ccnc(F)c2)cn1 ZINC000858174897 588937395 /nfs/dbraw/zinc/93/73/95/588937395.db2.gz YFRIVLJBJQZJKF-JTQLQIEISA-N 0 1 248.305 2.288 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000896944969 583862810 /nfs/dbraw/zinc/86/28/10/583862810.db2.gz TXAGXURZVDTKRN-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCn1ncc(CN[C@H]2CC23CCCCC3)n1 ZINC000858191574 588938200 /nfs/dbraw/zinc/93/82/00/588938200.db2.gz XGMQEOCEEXIIBP-LBPRGKRZSA-N 0 1 234.347 2.110 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897043176 583873939 /nfs/dbraw/zinc/87/39/39/583873939.db2.gz NRACZWTUDUETTL-GHMZBOCLSA-N 0 1 242.363 2.048 20 0 BEADMN CCOc1ccc(CN2CC[C@H](OCC)C2)o1 ZINC000897062322 583876578 /nfs/dbraw/zinc/87/65/78/583876578.db2.gz RZYLGEFGKGDHOI-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC000897165593 583886819 /nfs/dbraw/zinc/88/68/19/583886819.db2.gz ZULKWCBMXHYXRJ-SECBINFHSA-N 0 1 246.314 2.122 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1CCC1 ZINC000897217519 583897173 /nfs/dbraw/zinc/89/71/73/583897173.db2.gz DNVYADUSPGJVHF-JQWIXIFHSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1CCC1 ZINC000897217517 583897307 /nfs/dbraw/zinc/89/73/07/583897307.db2.gz DNVYADUSPGJVHF-CMPLNLGQSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc[nH]1 ZINC000897246395 583902516 /nfs/dbraw/zinc/90/25/16/583902516.db2.gz HPAVBGKXXIROBQ-PWSUYJOCSA-N 0 1 249.358 2.065 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cccnc1Cl ZINC000858257557 588940798 /nfs/dbraw/zinc/94/07/98/588940798.db2.gz OWLLPLBCYUIJLJ-PWSUYJOCSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1cc(CNCc2ccc[nH]c2=O)c(C)o1 ZINC000858304118 588943591 /nfs/dbraw/zinc/94/35/91/588943591.db2.gz GYDBXXCUOMAKAE-UHFFFAOYSA-N 0 1 232.283 2.287 20 0 BEADMN c1ccc([C@@H]2CC[N@H+](Cc3cccnc3)C2)nc1 ZINC000798963766 583950733 /nfs/dbraw/zinc/95/07/33/583950733.db2.gz JOYIMJLBVLAYOO-CQSZACIVSA-N 0 1 239.322 2.466 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(C)oc1C ZINC000840997840 583964120 /nfs/dbraw/zinc/96/41/20/583964120.db2.gz YWWBCCIPHFKJAL-UHFFFAOYSA-N 0 1 225.288 2.193 20 0 BEADMN CCCCCCN(C)C(C)(C)C(=O)OC ZINC000740877309 583978365 /nfs/dbraw/zinc/97/83/65/583978365.db2.gz AAYUYNLQEIIFNV-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CCC/C(C)=C\C(=O)Nc1nc(SC)n[nH]1 ZINC000729352593 583993956 /nfs/dbraw/zinc/99/39/56/583993956.db2.gz SEHIQPBQHJFOJU-SREVYHEPSA-N 0 1 240.332 2.212 20 0 BEADMN CCC(N)=NOCc1ccn(-c2ccccc2)n1 ZINC000729674462 584022382 /nfs/dbraw/zinc/02/23/82/584022382.db2.gz MPSKSKQNOREJGH-UHFFFAOYSA-N 0 1 244.298 2.281 20 0 BEADMN CC(C)c1ncc(CN2C[C@H](C)[C@H](O)C2)s1 ZINC000897681127 584039025 /nfs/dbraw/zinc/03/90/25/584039025.db2.gz PJGOOLCNYMJKID-GXSJLCMTSA-N 0 1 240.372 2.079 20 0 BEADMN CC(C)c1ncc(CN2C[C@H](O)[C@@H](C)C2)s1 ZINC000897681130 584039536 /nfs/dbraw/zinc/03/95/36/584039536.db2.gz PJGOOLCNYMJKID-ONGXEEELSA-N 0 1 240.372 2.079 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CCC1(C)C ZINC000897759297 584044537 /nfs/dbraw/zinc/04/45/37/584044537.db2.gz XROLFKSFTBORBR-QWRGUYRKSA-N 0 1 238.375 2.164 20 0 BEADMN Clc1ccc(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)o1 ZINC000897824778 584051972 /nfs/dbraw/zinc/05/19/72/584051972.db2.gz NPIXJZZESDDKSZ-ULHKAFAUSA-N 0 1 239.702 2.198 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCCC(C)(F)F ZINC000897868842 584055216 /nfs/dbraw/zinc/05/52/16/584055216.db2.gz CTTNTVLJZQLBLB-VIFPVBQESA-N 0 1 248.317 2.021 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@@H]3CCC[C@H]23)s1 ZINC000897959433 584067628 /nfs/dbraw/zinc/06/76/28/584067628.db2.gz IBYPQOHSDYGFOP-LPEHRKFASA-N 0 1 237.372 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H]3CCC[C@@H]32)s1 ZINC000897959432 584067660 /nfs/dbraw/zinc/06/76/60/584067660.db2.gz IBYPQOHSDYGFOP-KXUCPTDWSA-N 0 1 237.372 2.379 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897961624 584068916 /nfs/dbraw/zinc/06/89/16/584068916.db2.gz SOMYWNREOPVAIY-TUAOUCFPSA-N 0 1 238.375 2.020 20 0 BEADMN C[C@H](CSC(C)(C)C)NCc1cn(C)cn1 ZINC000898045413 584073568 /nfs/dbraw/zinc/07/35/68/584073568.db2.gz MICLZZBFCCNERL-SNVBAGLBSA-N 0 1 241.404 2.430 20 0 BEADMN Cn1c(CN2C[C@@H]3CCC[C@@H]3C2)cnc1Cl ZINC000898071166 584082388 /nfs/dbraw/zinc/08/23/88/584082388.db2.gz PJECQHJFJDIENX-AOOOYVTPSA-N 0 1 239.750 2.305 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000898099560 584085599 /nfs/dbraw/zinc/08/55/99/584085599.db2.gz ULEBVEDHXZQMDD-AAEUAGOBSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1[nH]nc(CN2CC(Cc3ccoc3)C2)c1C ZINC000898159752 584087898 /nfs/dbraw/zinc/08/78/98/584087898.db2.gz GCUXDUDSDKEZBJ-UHFFFAOYSA-N 0 1 245.326 2.294 20 0 BEADMN Cc1coc(CNCc2ccc(CCO)cc2)c1 ZINC000898168653 584088276 /nfs/dbraw/zinc/08/82/76/584088276.db2.gz LXMGAVVVXDPJLT-UHFFFAOYSA-N 0 1 245.322 2.413 20 0 BEADMN O[C@@H]1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC000898192431 584095426 /nfs/dbraw/zinc/09/54/26/584095426.db2.gz IUUZIFHJGPDZHN-GXTWGEPZSA-N 0 1 248.301 2.073 20 0 BEADMN Cc1cnc(CNCCc2cccnc2C)o1 ZINC000898251615 584100365 /nfs/dbraw/zinc/10/03/65/584100365.db2.gz GEFZKDLEGQGJIN-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN Cc1nc2ccccn2c1CNCC1(F)CC1 ZINC000898273955 584104754 /nfs/dbraw/zinc/10/47/54/584104754.db2.gz IWZUKBYVYKCHSS-UHFFFAOYSA-N 0 1 233.290 2.234 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2COC[C@@H]2C2CC2)n1 ZINC000898375817 584113219 /nfs/dbraw/zinc/11/32/19/584113219.db2.gz HWFINWGIKSURNH-DGCLKSJQSA-N 0 1 249.358 2.048 20 0 BEADMN Cl/C=C\CNCc1cnn(C2CCC2)c1 ZINC000898426792 584132478 /nfs/dbraw/zinc/13/24/78/584132478.db2.gz HQAYGQKPFONRGO-DJWKRKHSSA-N 0 1 225.723 2.450 20 0 BEADMN COC(=O)c1cc(CNC/C=C\Cl)cs1 ZINC000898427674 584133172 /nfs/dbraw/zinc/13/31/72/584133172.db2.gz KSBCCIBEHYTUTJ-IHWYPQMZSA-N 0 1 245.731 2.377 20 0 BEADMN Cc1ncc([C@@H](C)NC/C=C\Cl)c(C)n1 ZINC000898429091 584133492 /nfs/dbraw/zinc/13/34/92/584133492.db2.gz REJVLUTWVYFZGI-PULIVWKDSA-N 0 1 225.723 2.497 20 0 BEADMN Cn1cc(CNC/C=C/Cl)c(C(F)F)n1 ZINC000898430032 584134404 /nfs/dbraw/zinc/13/44/04/584134404.db2.gz SSDIMKAGXMUDCY-NSCUHMNNSA-N 0 1 235.665 2.200 20 0 BEADMN Cl/C=C\CNCc1cccc2c1OCCO2 ZINC000898435364 584135965 /nfs/dbraw/zinc/13/59/65/584135965.db2.gz IKFOMKSMTZZFDH-DJWKRKHSSA-N 0 1 239.702 2.300 20 0 BEADMN Cc1nc2ccccn2c1CNC/C=C/Cl ZINC000898436403 584136359 /nfs/dbraw/zinc/13/63/59/584136359.db2.gz TVZHTXIBZFUGJM-GQCTYLIASA-N 0 1 235.718 2.485 20 0 BEADMN O=C(NOc1ccc(F)cc1)C1CC=CC1 ZINC000898572941 584142644 /nfs/dbraw/zinc/14/26/44/584142644.db2.gz FRMTZQOUJYRBAV-UHFFFAOYSA-N 0 1 221.231 2.202 20 0 BEADMN CC(C)CCCC(=O)N1CC(N2CCCC2)C1 ZINC000898605046 584145140 /nfs/dbraw/zinc/14/51/40/584145140.db2.gz MWELSJAQKDXPIZ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899103980 584175423 /nfs/dbraw/zinc/17/54/23/584175423.db2.gz LEIBCIOINLKOIC-IEHMKBBKSA-N 0 1 248.330 2.215 20 0 BEADMN C=C/C=C\CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000899203758 584181291 /nfs/dbraw/zinc/18/12/91/584181291.db2.gz SSGKRRAAXZSURL-ZHRWSRJISA-N 0 1 236.359 2.108 20 0 BEADMN COc1cc(C)c(-c2cnc(CN)nc2)cc1C ZINC000899319494 584197334 /nfs/dbraw/zinc/19/73/34/584197334.db2.gz JLNAGLNOHZZNIT-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1C[C@H]1CCSC1 ZINC000899355606 584201533 /nfs/dbraw/zinc/20/15/33/584201533.db2.gz SDAQZDJUMSSFRZ-SNVBAGLBSA-N 0 1 238.356 2.128 20 0 BEADMN CC(C)c1cc(=O)n([C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000899360797 584206896 /nfs/dbraw/zinc/20/68/96/584206896.db2.gz PNSLNCIISKRKOG-JGPRNRPPSA-N 0 1 238.331 2.187 20 0 BEADMN CCCc1cc(=O)n([C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000899360424 584206911 /nfs/dbraw/zinc/20/69/11/584206911.db2.gz MNGOHFPIKIZZII-PEGIJTEDSA-N 0 1 238.331 2.331 20 0 BEADMN CCC1=NN([C@@H]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@@H]1C ZINC000899360003 584207171 /nfs/dbraw/zinc/20/71/71/584207171.db2.gz IITPFODNPFWPMO-LMLFDSFASA-N 0 1 238.331 2.187 20 0 BEADMN CCc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1C ZINC000899360003 584207172 /nfs/dbraw/zinc/20/71/72/584207172.db2.gz IITPFODNPFWPMO-LMLFDSFASA-N 0 1 238.331 2.187 20 0 BEADMN C[C@@H]1CCN(C(=O)CN(C)C)[C@@H]1c1ccccc1 ZINC000899375381 584207391 /nfs/dbraw/zinc/20/73/91/584207391.db2.gz LMFWMOFKNSMORW-DOMZBBRYSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1[nH]n(-c2c(F)cc(F)cc2F)c(=O)c1C ZINC000899362392 584207560 /nfs/dbraw/zinc/20/75/60/584207560.db2.gz RXRPQKVKTBKOHW-YFKPBYRVSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1ccc(Cn2cc([C@@H]3CCCCN3)nn2)o1 ZINC000899703922 584225541 /nfs/dbraw/zinc/22/55/41/584225541.db2.gz GUKCFXLIUNNFPT-LBPRGKRZSA-N 0 1 246.314 2.042 20 0 BEADMN CC(C)CCn1cc([C@H]2CCCCN2)nn1 ZINC000899695138 584226604 /nfs/dbraw/zinc/22/66/04/584226604.db2.gz BOKYBMPQDZNNCZ-LLVKDONJSA-N 0 1 222.336 2.139 20 0 BEADMN Fc1cccc(-n2cc([C@@H]3CCCCN3)nn2)c1 ZINC000899724759 584229711 /nfs/dbraw/zinc/22/97/11/584229711.db2.gz JRMWONOUYSJIPY-LBPRGKRZSA-N 0 1 246.289 2.221 20 0 BEADMN CNC(C)(C)c1cn(-c2cccc(C)c2F)nn1 ZINC000899746865 584235576 /nfs/dbraw/zinc/23/55/76/584235576.db2.gz NAUOLICTBRJJSY-UHFFFAOYSA-N 0 1 248.305 2.169 20 0 BEADMN CN[C@@H](C)c1cn(CC2CCC=CCC2)nn1 ZINC000899742658 584236303 /nfs/dbraw/zinc/23/63/03/584236303.db2.gz BYJUDTUMQARVGC-NSHDSACASA-N 0 1 234.347 2.305 20 0 BEADMN O=C(NC1CCC=CCC1)[C@@H]1CCCN1C1CC1 ZINC000899805134 584238323 /nfs/dbraw/zinc/23/83/23/584238323.db2.gz PLZKFJNZUGUHRK-AWEZNQCLSA-N 0 1 248.370 2.228 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NC1CCC=CCC1 ZINC000899803837 584239317 /nfs/dbraw/zinc/23/93/17/584239317.db2.gz BZGIRMNALPBBET-CYBMUJFWSA-N 0 1 236.359 2.086 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(C2CC2)CCC1 ZINC000899823142 584239971 /nfs/dbraw/zinc/23/99/71/584239971.db2.gz WWDIJHAZHZKVPH-JTQLQIEISA-N 0 1 247.342 2.037 20 0 BEADMN CCN(Cc1cn(CC)nn1)CC(C)(C)C ZINC000899868233 584243689 /nfs/dbraw/zinc/24/36/89/584243689.db2.gz LLUHCYRYXSIUEJ-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN CCn1cc(CN2[C@@H](C)CCC2(C)C)nn1 ZINC000899869552 584244249 /nfs/dbraw/zinc/24/42/49/584244249.db2.gz FDSAWASCWQSKSW-JTQLQIEISA-N 0 1 222.336 2.061 20 0 BEADMN C[C@H]1CC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC000899894401 584248355 /nfs/dbraw/zinc/24/83/55/584248355.db2.gz ZHYSLHCCCZQJJM-ZFWWWQNUSA-N 0 1 249.354 2.048 20 0 BEADMN O=C(Cc1cnc[nH]1)NC1CCCCCCC1 ZINC000899929211 584256078 /nfs/dbraw/zinc/25/60/78/584256078.db2.gz GKRMDNOFWLEVFM-UHFFFAOYSA-N 0 1 235.331 2.181 20 0 BEADMN CCCCCC[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900081524 584272514 /nfs/dbraw/zinc/27/25/14/584272514.db2.gz JAPCMKPQYREMDL-LLVKDONJSA-N 0 1 237.347 2.427 20 0 BEADMN CCN(C(=O)Cc1cnc[nH]1)c1ccccc1C ZINC000900254240 584289177 /nfs/dbraw/zinc/28/91/77/584289177.db2.gz CXZBNCATASLGJF-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC000900347516 584296544 /nfs/dbraw/zinc/29/65/44/584296544.db2.gz WCLXNUAGHJWYJD-BDAKNGLRSA-N 0 1 239.294 2.105 20 0 BEADMN CCC[C@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900555892 584322969 /nfs/dbraw/zinc/32/29/69/584322969.db2.gz GYHOBPQIFRKPSX-WCQYABFASA-N 0 1 249.358 2.427 20 0 BEADMN CCCC[C@@H]1CCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900543168 584324384 /nfs/dbraw/zinc/32/43/84/584324384.db2.gz LUSVLCZRNVCAQF-DGCLKSJQSA-N 0 1 249.358 2.427 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccccc2CF)nn1 ZINC000900643680 584338383 /nfs/dbraw/zinc/33/83/83/584338383.db2.gz RGIXATYALZEGHB-JTQLQIEISA-N 0 1 248.305 2.076 20 0 BEADMN CCC(C)(CC)NC(=O)c1cncc2nc[nH]c21 ZINC000900697901 584339032 /nfs/dbraw/zinc/33/90/32/584339032.db2.gz NIGHJOATNNNVDM-UHFFFAOYSA-N 0 1 246.314 2.266 20 0 BEADMN C[C@H]1C[C@H](NC(=O)c2[nH]ncc2F)C[C@@H](C)C1 ZINC000900796153 584352539 /nfs/dbraw/zinc/35/25/39/584352539.db2.gz WFDVCAYZWCUVKU-BRPSZJMVSA-N 0 1 239.294 2.103 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000900836527 584359149 /nfs/dbraw/zinc/35/91/49/584359149.db2.gz ORWGTQOUHPRCCM-OLZOCXBDSA-N 0 1 247.342 2.037 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000900870520 584363548 /nfs/dbraw/zinc/36/35/48/584363548.db2.gz UEONNFVSYXSHFM-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CCC(C)=C(C)C(=O)NCc1nc(C)c(C)[nH]1 ZINC000900997138 584374815 /nfs/dbraw/zinc/37/48/15/584374815.db2.gz JVOPHSCKCLFOFI-CMDGGOBGSA-N 0 1 235.331 2.389 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000901038762 584376295 /nfs/dbraw/zinc/37/62/95/584376295.db2.gz KUCHNJVYCXPDCA-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN CC(Cl)=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000901106096 584388974 /nfs/dbraw/zinc/38/89/74/584388974.db2.gz KVASUPZMCFKLPP-PGBBXKAQSA-N 0 1 239.706 2.046 20 0 BEADMN CC1(C)CCC(CNC(=O)Cc2cnc[nH]2)CC1 ZINC000901232460 584404128 /nfs/dbraw/zinc/40/41/28/584404128.db2.gz CVVPFERPRNVCDV-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN CCc1ccc(NC(=O)Cc2cnc[nH]2)cc1C ZINC000901291511 584422456 /nfs/dbraw/zinc/42/24/56/584422456.db2.gz IUVAPQFYENUNDJ-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN Cc1noc2ncc(-c3cc([C@H](C)N)on3)cc12 ZINC000901404567 584439267 /nfs/dbraw/zinc/43/92/67/584439267.db2.gz JRDVISOUUIHVHW-LURJTMIESA-N 0 1 244.254 2.206 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1csc(C)c1C ZINC000901425185 584442744 /nfs/dbraw/zinc/44/27/44/584442744.db2.gz WBZORNMVPFOJPJ-UHFFFAOYSA-N 0 1 227.329 2.271 20 0 BEADMN CC1=CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000901454036 584444556 /nfs/dbraw/zinc/44/45/56/584444556.db2.gz RANFVRVTGZELTF-GHMZBOCLSA-N 0 1 209.289 2.034 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccccc1)CC1(F)CC1 ZINC000901587239 584465297 /nfs/dbraw/zinc/46/52/97/584465297.db2.gz VXVMJXVGKDTQAB-UHFFFAOYSA-N 0 1 237.274 2.075 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccccc1)CC1(F)CC1 ZINC000901587239 584465298 /nfs/dbraw/zinc/46/52/98/584465298.db2.gz VXVMJXVGKDTQAB-UHFFFAOYSA-N 0 1 237.274 2.075 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccc2[nH]ccc21)C(=O)[O-] ZINC000901597425 584467628 /nfs/dbraw/zinc/46/76/28/584467628.db2.gz GWCPGOJUVBIBFL-SNVBAGLBSA-N 0 1 246.310 2.320 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cc2ccccc2[nH]1)C(=O)[O-] ZINC000901597463 584468376 /nfs/dbraw/zinc/46/83/76/584468376.db2.gz ICNJMPOBDLEEJG-SNVBAGLBSA-N 0 1 246.310 2.320 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc(Cl)o1)C(=O)[O-] ZINC000901599295 584468448 /nfs/dbraw/zinc/46/84/48/584468448.db2.gz VEBIRQXKVIZXFO-ZETCQYMHSA-N 0 1 231.679 2.086 20 0 BEADMN O=C([O-])[C@H]1C[N@@H+](CC2(F)CC2)Cc2ccccc21 ZINC000901622590 584469955 /nfs/dbraw/zinc/46/99/55/584469955.db2.gz OZVSRAMOVHTZMQ-LBPRGKRZSA-N 0 1 249.285 2.173 20 0 BEADMN CC(C)CCC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890556 584501605 /nfs/dbraw/zinc/50/16/05/584501605.db2.gz OKSXOTSNOITCHW-LLVKDONJSA-N 0 1 245.388 2.172 20 0 BEADMN CC1(C[N@H+]2CC3(CCC3)[C@](F)(C(=O)[O-])C2)CC1 ZINC000901909345 584505106 /nfs/dbraw/zinc/50/51/06/584505106.db2.gz BQSKJUIMVBWYTD-CYBMUJFWSA-N 0 1 241.306 2.065 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000901968338 584508971 /nfs/dbraw/zinc/50/89/71/584508971.db2.gz OVUQFPJWDNSGMW-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN Cc1cc(C[N@@H+](CCC(=O)[O-])C2CC2)c(C)o1 ZINC000901970009 584508975 /nfs/dbraw/zinc/50/89/75/584508975.db2.gz CKLJPBFKFBMXIN-UHFFFAOYSA-N 0 1 237.299 2.336 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000901971090 584509123 /nfs/dbraw/zinc/50/91/23/584509123.db2.gz FRCFWJAJPCFFBF-UHFFFAOYSA-N 0 1 244.294 2.217 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc2cccnc2o1 ZINC000901978237 584509717 /nfs/dbraw/zinc/50/97/17/584509717.db2.gz WPDXVOHYHAKSRX-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN Cc1occc1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901993308 584510348 /nfs/dbraw/zinc/51/03/48/584510348.db2.gz PUQYZLVEWKDRGE-SECBINFHSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1ccoc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901993466 584511279 /nfs/dbraw/zinc/51/12/79/584511279.db2.gz KIVTYYQGMKWNOB-JTQLQIEISA-N 0 1 237.299 2.273 20 0 BEADMN CC1=C[C@H](C)C[C@@H](C[N@H+](C)[C@H](C)C(=O)[O-])C1 ZINC000901980114 584511531 /nfs/dbraw/zinc/51/15/31/584511531.db2.gz PMANARAYNPYRRA-MVWJERBFSA-N 0 1 225.332 2.384 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000901980135 584511696 /nfs/dbraw/zinc/51/16/96/584511696.db2.gz PUVNHWQAYVBNAJ-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000902021854 584514539 /nfs/dbraw/zinc/51/45/39/584514539.db2.gz JLYFICNLKKOHRW-RYUDHWBXSA-N 0 1 241.331 2.110 20 0 BEADMN CSC(C)(C)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000902044590 584516384 /nfs/dbraw/zinc/51/63/84/584516384.db2.gz FUAGNSWXCPREMF-UHFFFAOYSA-N 0 1 245.388 2.457 20 0 BEADMN CCn1cnc(CNCCOc2ccccc2)c1 ZINC000902032273 584518876 /nfs/dbraw/zinc/51/88/76/584518876.db2.gz CEDUUCJIJXWTJJ-UHFFFAOYSA-N 0 1 245.326 2.072 20 0 BEADMN CC(C)C[C@H]1CCCN(CN2CCOC2=O)C1 ZINC000902183070 584532922 /nfs/dbraw/zinc/53/29/22/584532922.db2.gz NWLRBAXAMYBVIP-GFCCVEGCSA-N 0 1 240.347 2.154 20 0 BEADMN CC1(C)CN(CN2CCOC2=O)CC(C)(C)C1 ZINC000902224140 584540220 /nfs/dbraw/zinc/54/02/20/584540220.db2.gz YVQNRVKZHOUPCE-UHFFFAOYSA-N 0 1 240.347 2.154 20 0 BEADMN CCC(N)=NOCc1c(C)nsc1C ZINC000902220590 584540528 /nfs/dbraw/zinc/54/05/28/584540528.db2.gz YJAWURFQLOGFBC-UHFFFAOYSA-N 0 1 213.306 2.168 20 0 BEADMN CNc1ccc(C)cc1CNCc1cc(C)n[nH]1 ZINC000902260066 584544654 /nfs/dbraw/zinc/54/46/54/584544654.db2.gz OVTBJAKMOOWJLZ-UHFFFAOYSA-N 0 1 244.342 2.358 20 0 BEADMN CNc1ccc(C)cc1CNCc1cc(C)[nH]n1 ZINC000902260066 584544655 /nfs/dbraw/zinc/54/46/55/584544655.db2.gz OVTBJAKMOOWJLZ-UHFFFAOYSA-N 0 1 244.342 2.358 20 0 BEADMN Cc1[nH]ncc1CNc1cnc(CC(C)C)nc1 ZINC000902250560 584547014 /nfs/dbraw/zinc/54/70/14/584547014.db2.gz XSMDQLDUSAZVOR-UHFFFAOYSA-N 0 1 245.330 2.319 20 0 BEADMN Cc1cn[nH]c1CSCc1ccnc(C)n1 ZINC000902379008 584568607 /nfs/dbraw/zinc/56/86/07/584568607.db2.gz CDGQARIBRXRHQS-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CCn1cnc(CN[C@H](C)CC(F)(F)F)c1 ZINC000902491260 584618147 /nfs/dbraw/zinc/61/81/47/584618147.db2.gz WLBQFSPWXHQBPD-MRVPVSSYSA-N 0 1 235.253 2.334 20 0 BEADMN Cc1cn[nH]c1CSC[C@H]1C[C@]12CCOC2 ZINC000902541403 584629004 /nfs/dbraw/zinc/62/90/04/584629004.db2.gz IXYCVQPWSZTMSI-PWSUYJOCSA-N 0 1 238.356 2.378 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000902532639 584633513 /nfs/dbraw/zinc/63/35/13/584633513.db2.gz QKUDUZNREKIUGG-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN CCNc1ccccc1CNCc1cncn1C ZINC000902570612 584636171 /nfs/dbraw/zinc/63/61/71/584636171.db2.gz VOXVHJCIQSYQCO-UHFFFAOYSA-N 0 1 244.342 2.142 20 0 BEADMN CC[C@H](C)[C@H](CNCc1cn(CC)cn1)OC ZINC000902577968 584637970 /nfs/dbraw/zinc/63/79/70/584637970.db2.gz KIRGGHVZZWSILN-AAEUAGOBSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1cnc(CNCCOC(C)(C)CC)c1 ZINC000902587238 584639688 /nfs/dbraw/zinc/63/96/88/584639688.db2.gz NQMXCYLSZXXJEO-UHFFFAOYSA-N 0 1 239.363 2.198 20 0 BEADMN CNc1ccccc1CN[C@@H](C)c1ccnn1C ZINC000902634953 584648495 /nfs/dbraw/zinc/64/84/95/584648495.db2.gz WUVAJOLQCWHJJB-NSHDSACASA-N 0 1 244.342 2.313 20 0 BEADMN CCN(Cc1ccnc(F)c1)C[C@H]1CCCO1 ZINC000859103877 589002438 /nfs/dbraw/zinc/00/24/38/589002438.db2.gz HSJYKEQGGMJXNZ-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)[C@H](C(=O)OC1CCSCC1)N(C)C ZINC000873556371 584700409 /nfs/dbraw/zinc/70/04/09/584700409.db2.gz FXNCPGYUVGETNV-LLVKDONJSA-N 0 1 245.388 2.011 20 0 BEADMN F[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC000902995612 584708343 /nfs/dbraw/zinc/70/83/43/584708343.db2.gz OHUVVFUZSDYRES-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN F[C@@H]1CCCN(CCOC2CCSCC2)C1 ZINC000902991356 584709858 /nfs/dbraw/zinc/70/98/58/584709858.db2.gz PGSVLJNRZWZFGS-LLVKDONJSA-N 0 1 247.379 2.333 20 0 BEADMN CC1(C)CO[C@H](CN2CCC[C@H](F)C2)C1 ZINC000902992246 584710636 /nfs/dbraw/zinc/71/06/36/584710636.db2.gz IBQUHTRFLCTIFD-QWRGUYRKSA-N 0 1 215.312 2.235 20 0 BEADMN O[C@H](Cc1ccccc1)CN1CCC[C@H](F)C1 ZINC000902992966 584711228 /nfs/dbraw/zinc/71/12/28/584711228.db2.gz OZOSDOIYCRMJDD-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN F[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000902993290 584711570 /nfs/dbraw/zinc/71/15/70/584711570.db2.gz SHBZWKIYDPBUDM-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN CCOC(=O)CCCCN1CCC[C@H](F)C1 ZINC000902998616 584715065 /nfs/dbraw/zinc/71/50/65/584715065.db2.gz NUZCKDSAJPNIBQ-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN CCCn1cc([C@H](C)NC2(CC)CC2)nn1 ZINC000903005896 584716998 /nfs/dbraw/zinc/71/69/98/584716998.db2.gz ADZVSSWNVMMFBY-JTQLQIEISA-N 0 1 222.336 2.281 20 0 BEADMN c1cnc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)nc1 ZINC000903054299 584724097 /nfs/dbraw/zinc/72/40/97/584724097.db2.gz JFMCXZCCSOOYRB-ZSBIGDGJSA-N 0 1 217.316 2.145 20 0 BEADMN CC(C)(F)CN[C@@H]1CCCc2c[nH]nc21 ZINC000903071177 584726386 /nfs/dbraw/zinc/72/63/86/584726386.db2.gz FQFWTXVLHBSLMP-SECBINFHSA-N 0 1 211.284 2.125 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903224006 584738198 /nfs/dbraw/zinc/73/81/98/584738198.db2.gz OOTVHFHBWBGJRR-XQQFMLRXSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](N[C@H](CCO)C1CCCC1)c1ncco1 ZINC000903295779 584743149 /nfs/dbraw/zinc/74/31/49/584743149.db2.gz APQPPMCACCRMEY-CMPLNLGQSA-N 0 1 238.331 2.266 20 0 BEADMN C[C@@H](N[C@H](CCO)C1CCCC1)c1ncco1 ZINC000903295782 584743321 /nfs/dbraw/zinc/74/33/21/584743321.db2.gz APQPPMCACCRMEY-ZYHUDNBSSA-N 0 1 238.331 2.266 20 0 BEADMN CCOC1CC(N[C@H](c2ncccn2)C2CC2)C1 ZINC000903324824 584747320 /nfs/dbraw/zinc/74/73/20/584747320.db2.gz DYRGTFAIHTXFEV-BPCQOVAHSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](N[C@@H](c1ncccn1)C1CC1)[C@@H]1CCCO1 ZINC000903324309 584747339 /nfs/dbraw/zinc/74/73/39/584747339.db2.gz DHIHWZWIGPGCNH-WCFLWFBJSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903316850 584750164 /nfs/dbraw/zinc/75/01/64/584750164.db2.gz KDZWCYNLFKMOBC-AYHFEMFVSA-N 0 1 221.304 2.217 20 0 BEADMN COC[C@@H](N[C@H](c1ncccn1)C1CC1)C(C)C ZINC000903326372 584753329 /nfs/dbraw/zinc/75/33/29/584753329.db2.gz LCIFWXZQMQNDOR-OLZOCXBDSA-N 0 1 249.358 2.188 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2ncccn2)C2CC2)[C@H](C)O1 ZINC000903325813 584753379 /nfs/dbraw/zinc/75/33/79/584753379.db2.gz VLCOAYJZPWMUGR-RSLMWUCJSA-N 0 1 247.342 2.083 20 0 BEADMN COC(C)(C)[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000903331427 584754558 /nfs/dbraw/zinc/75/45/58/584754558.db2.gz NIDHDXLGGSCPNV-ZJUUUORDSA-N 0 1 226.320 2.447 20 0 BEADMN COC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000903331425 584754585 /nfs/dbraw/zinc/75/45/85/584754585.db2.gz NIDHDXLGGSCPNV-UWVGGRQHSA-N 0 1 226.320 2.447 20 0 BEADMN C[C@H](NC[C@]12C[C@H]1COC21CCC1)c1ncco1 ZINC000903369051 584756156 /nfs/dbraw/zinc/75/61/56/584756156.db2.gz YNYSEEZDNMXMRT-GMXVVIOVSA-N 0 1 248.326 2.284 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C)c1cccc(O)c1F ZINC000903393885 584756721 /nfs/dbraw/zinc/75/67/21/584756721.db2.gz VIPMGCIRPUWGIB-QXEWZRGKSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C)c1cccc(O)c1F ZINC000903393886 584756728 /nfs/dbraw/zinc/75/67/28/584756728.db2.gz VIPMGCIRPUWGIB-WCABBAIRSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1ncc[nH]1 ZINC000903390317 584757781 /nfs/dbraw/zinc/75/77/81/584757781.db2.gz UQHONIAMFQMWRR-MNOVXSKESA-N 0 1 235.331 2.162 20 0 BEADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ccn(C)n1 ZINC000903389294 584757796 /nfs/dbraw/zinc/75/77/96/584757796.db2.gz OTSLKBUFEMZBBS-DGCLKSJQSA-N 0 1 249.358 2.172 20 0 BEADMN CC(F)(F)CCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000903408996 584759304 /nfs/dbraw/zinc/75/93/04/584759304.db2.gz PKNQUEPQERBGPJ-UHFFFAOYSA-N 0 1 235.274 2.361 20 0 BEADMN O=C([O-])CCC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903415645 584760340 /nfs/dbraw/zinc/76/03/40/584760340.db2.gz LKEUJAUOWHENFW-DZGCQCFKSA-N 0 1 245.322 2.125 20 0 BEADMN Cl/C=C/CN[C@H]1CCCc2n[nH]cc21 ZINC000903444135 584768998 /nfs/dbraw/zinc/76/89/98/584768998.db2.gz NFEJTKYEGBQVGL-MAHOQKISSA-N 0 1 211.696 2.129 20 0 BEADMN Cc1ncncc1[C@@H](C)NC/C=C/Cl ZINC000903446580 584770329 /nfs/dbraw/zinc/77/03/29/584770329.db2.gz ZBDYUIXFQSJQMC-MPJRPATESA-N 0 1 211.696 2.188 20 0 BEADMN C=C/C=C\CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000903605620 584784422 /nfs/dbraw/zinc/78/44/22/584784422.db2.gz BNCRVHWJJNSYEA-DHCBQETCSA-N 0 1 247.294 2.396 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000903608032 584784622 /nfs/dbraw/zinc/78/46/22/584784622.db2.gz WSWLCAMMGXPLQR-KOLCDFICSA-N 0 1 243.372 2.091 20 0 BEADMN C=C/C=C\CC[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903608210 584785063 /nfs/dbraw/zinc/78/50/63/584785063.db2.gz HLXUVCGOSQYQLK-WYGGZMRJSA-N 0 1 223.316 2.446 20 0 BEADMN C=C/C=C/CC[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903608209 584785109 /nfs/dbraw/zinc/78/51/09/584785109.db2.gz HLXUVCGOSQYQLK-SGUJLRQBSA-N 0 1 223.316 2.446 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000903608873 584785188 /nfs/dbraw/zinc/78/51/88/584785188.db2.gz OLHKGXQPOHDBLT-NWDGAFQWSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000903594641 584785666 /nfs/dbraw/zinc/78/56/66/584785666.db2.gz FBHAPLGBKHPYEI-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000903594637 584785851 /nfs/dbraw/zinc/78/58/51/584785851.db2.gz FBHAPLGBKHPYEI-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000903596228 584786009 /nfs/dbraw/zinc/78/60/09/584786009.db2.gz SCTSUMFWVSJLPA-MWLCHTKSSA-N 0 1 225.288 2.211 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000903596090 584786176 /nfs/dbraw/zinc/78/61/76/584786176.db2.gz RBXZHSCDPPTWIQ-UKKRHICBSA-N 0 1 245.388 2.312 20 0 BEADMN CC(C)(C)SCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616881 584786526 /nfs/dbraw/zinc/78/65/26/584786526.db2.gz NHRLPFRSZSPZNH-IUCAKERBSA-N 0 1 249.351 2.015 20 0 BEADMN CC(C)(C)SCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616881 584786527 /nfs/dbraw/zinc/78/65/27/584786527.db2.gz NHRLPFRSZSPZNH-IUCAKERBSA-N 0 1 249.351 2.015 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)s1 ZINC000903690236 584789350 /nfs/dbraw/zinc/78/93/50/584789350.db2.gz URIFYDBLDANLAE-JTQLQIEISA-N 0 1 237.324 2.431 20 0 BEADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)CC1CC1 ZINC000903696241 584790186 /nfs/dbraw/zinc/79/01/86/584790186.db2.gz SWESZMPKRSHZDO-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1CF ZINC000903702381 584790583 /nfs/dbraw/zinc/79/05/83/584790583.db2.gz APYLFVKBXQLYTK-GFCCVEGCSA-N 0 1 239.290 2.451 20 0 BEADMN Cc1cc(C)nc(C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC000903703156 584790591 /nfs/dbraw/zinc/79/05/91/584790591.db2.gz TXZHKPPTACIQIF-UHFFFAOYSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1cc(C)nc(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000903703156 584790592 /nfs/dbraw/zinc/79/05/92/584790592.db2.gz TXZHKPPTACIQIF-UHFFFAOYSA-N 0 1 248.326 2.138 20 0 BEADMN CC(C)CCOC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000859171196 589013563 /nfs/dbraw/zinc/01/35/63/589013563.db2.gz BHVXLURSFNAWDC-TXEJJXNPSA-N 0 1 242.363 2.194 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859154254 589010711 /nfs/dbraw/zinc/01/07/11/589010711.db2.gz AOTNAXZWFMHYIP-GFCCVEGCSA-N 0 1 238.306 2.079 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C(C)C ZINC000903888255 584814070 /nfs/dbraw/zinc/81/40/70/584814070.db2.gz WICHXBKBANZTDC-WDEREUQCSA-N 0 1 213.321 2.074 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903897585 584820055 /nfs/dbraw/zinc/82/00/55/584820055.db2.gz IPZBFVZDPAOGFA-OUAUKWLOSA-N 0 1 245.388 2.171 20 0 BEADMN COC/C(C)=C/C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000903901409 584820237 /nfs/dbraw/zinc/82/02/37/584820237.db2.gz IITYRMPFJJSQTF-IGEMTJHASA-N 0 1 243.347 2.010 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])C1 ZINC000903902346 584820383 /nfs/dbraw/zinc/82/03/83/584820383.db2.gz YPWZLCCHGORRLD-WJFHSMSDSA-N 0 1 237.343 2.218 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCc1ccccc1 ZINC000903936428 584825637 /nfs/dbraw/zinc/82/56/37/584825637.db2.gz KCHUMZZWBQALLB-HIFRSBDPSA-N 0 1 245.322 2.168 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCCCCF ZINC000903936776 584826119 /nfs/dbraw/zinc/82/61/19/584826119.db2.gz VMUKACJELBSMGH-PWSUYJOCSA-N 0 1 229.295 2.065 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CC1CCCC1 ZINC000903936863 584826320 /nfs/dbraw/zinc/82/63/20/584826320.db2.gz XYPNWTLECLKXJE-YPMHNXCESA-N 0 1 223.316 2.116 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1cccc(F)c1 ZINC000903938589 584826416 /nfs/dbraw/zinc/82/64/16/584826416.db2.gz WODAZKIBHPISOC-RISCZKNCSA-N 0 1 249.285 2.265 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1ccccc1 ZINC000903938403 584826609 /nfs/dbraw/zinc/82/66/09/584826609.db2.gz RMPIQXBDVQAFEY-OCCSQVGLSA-N 0 1 231.295 2.126 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000903961218 584828385 /nfs/dbraw/zinc/82/83/85/584828385.db2.gz QCUIONBULODIEW-WHOHXGKFSA-N 0 1 237.343 2.218 20 0 BEADMN CCC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903948469 584830130 /nfs/dbraw/zinc/83/01/30/584830130.db2.gz FIDXQQHHGUABKB-VLEAKVRGSA-N 0 1 213.321 2.216 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903956558 584832222 /nfs/dbraw/zinc/83/22/22/584832222.db2.gz ADVXTODGRQZJOF-YFKTTZPYSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cnc(N)s1 ZINC000903987819 584835805 /nfs/dbraw/zinc/83/58/05/584835805.db2.gz KIOOERVOWYAQLH-ONEGZZNKSA-N 0 1 231.752 2.346 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(C(F)F)c(F)c1 ZINC000904247376 584856750 /nfs/dbraw/zinc/85/67/50/584856750.db2.gz GTKUGNLOFUEANX-UHFFFAOYSA-N 0 1 247.216 2.280 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2(F)CC2)C1 ZINC000904401150 584878644 /nfs/dbraw/zinc/87/86/44/584878644.db2.gz NFGSHSROYSAFDK-NSHDSACASA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)(C)c1ccc(CN[C@@H]2CNOC2)s1 ZINC000904424937 584881148 /nfs/dbraw/zinc/88/11/48/584881148.db2.gz RCZBZYBVRUYPQS-SECBINFHSA-N 0 1 240.372 2.039 20 0 BEADMN CCC[C@@H](O)CN1CCC[C@H]1c1cc(C)on1 ZINC000827332299 584898573 /nfs/dbraw/zinc/89/85/73/584898573.db2.gz MHJLGHXXCOECHC-YPMHNXCESA-N 0 1 238.331 2.281 20 0 BEADMN C[C@]1(CSc2cn[nH]n2)CC1(Cl)Cl ZINC000825334098 584912680 /nfs/dbraw/zinc/91/26/80/584912680.db2.gz LTHLAYLMYHFIMK-ZCFIWIBFSA-N 0 1 238.143 2.481 20 0 BEADMN CCC/C(C)=C/C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000764893729 584932503 /nfs/dbraw/zinc/93/25/03/584932503.db2.gz WWBHYEOSNLKZJW-PFEDMVJOSA-N 0 1 247.342 2.130 20 0 BEADMN CCCCCC(=O)NCc1cc(CC)[nH]n1 ZINC000732787986 584940844 /nfs/dbraw/zinc/94/08/44/584940844.db2.gz DCRJCRZMCNHDEQ-UHFFFAOYSA-N 0 1 223.320 2.169 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000733289634 584945839 /nfs/dbraw/zinc/94/58/39/584945839.db2.gz KGSZYBNXAVHIOH-LBPRGKRZSA-N 0 1 238.375 2.321 20 0 BEADMN CCCCN(CN1C[C@@H](C)CC1=O)C1CC1 ZINC000733291299 584946120 /nfs/dbraw/zinc/94/61/20/584946120.db2.gz FLBMULLGVNNLQC-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CCCC[C@H]1C ZINC000734146494 584957397 /nfs/dbraw/zinc/95/73/97/584957397.db2.gz DQHSNOZMLGYTCK-SKDRFNHKSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nonc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000734146491 584957485 /nfs/dbraw/zinc/95/74/85/584957485.db2.gz DQHSNOZMLGYTCK-BXKDBHETSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nonc1CN1[C@H](C)CCC[C@H]1C ZINC000734149037 584957894 /nfs/dbraw/zinc/95/78/94/584957894.db2.gz URNPORQBMOVXOO-RKDXNWHRSA-N 0 1 209.293 2.141 20 0 BEADMN Cc1cc(CNC(=O)C=C2CCC(C)CC2)n[nH]1 ZINC000734129624 584958908 /nfs/dbraw/zinc/95/89/08/584958908.db2.gz YZSOKDLGMDSFIN-UHFFFAOYSA-N 0 1 247.342 2.471 20 0 BEADMN CCc1ccc2nc(-c3cnn(CC)n3)[nH]c2c1 ZINC000840765769 584961383 /nfs/dbraw/zinc/96/13/83/584961383.db2.gz IPWKDHFMVQWWBX-UHFFFAOYSA-N 0 1 241.298 2.404 20 0 BEADMN C[C@H](CNC(=O)[C@H]1CCCCN1C)C(C)(C)C ZINC000734548834 584964767 /nfs/dbraw/zinc/96/47/67/584964767.db2.gz GYPLKSIFSMXWAJ-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](CNC(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC000734548831 584964833 /nfs/dbraw/zinc/96/48/33/584964833.db2.gz GYPLKSIFSMXWAJ-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CCCCCCC(=O)NC(C)(C)c1c[nH]nn1 ZINC000734569464 584965000 /nfs/dbraw/zinc/96/50/00/584965000.db2.gz UURROJUEDHNOBP-UHFFFAOYSA-N 0 1 238.335 2.126 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000736219202 584992426 /nfs/dbraw/zinc/99/24/26/584992426.db2.gz KTSAXESEUWXNMT-NXEZZACHSA-N 0 1 237.274 2.088 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000736220139 584992516 /nfs/dbraw/zinc/99/25/16/584992516.db2.gz XQNMIDDVNSBTSP-KOLCDFICSA-N 0 1 237.274 2.088 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2cc[nH]c21 ZINC000820586393 585013988 /nfs/dbraw/zinc/01/39/88/585013988.db2.gz WIVLJGVUCIJWKA-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1F ZINC000736850747 585017634 /nfs/dbraw/zinc/01/76/34/585017634.db2.gz KECMHAXJZSYSRG-GFCCVEGCSA-N 0 1 239.290 2.163 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccnc1Cl ZINC000737095755 585025732 /nfs/dbraw/zinc/02/57/32/585025732.db2.gz DOTGLPXSERREMC-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CC[C@H](C)CO[N-]C(=O)C[N@@H+](C)CC(C)(C)C ZINC000823100804 585027868 /nfs/dbraw/zinc/02/78/68/585027868.db2.gz JIKFXLCHBJZAFB-NSHDSACASA-N 0 1 244.379 2.058 20 0 BEADMN CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)[O-])o1 ZINC000737259577 585027971 /nfs/dbraw/zinc/02/79/71/585027971.db2.gz SVEHKTVRSVZYQL-NSHDSACASA-N 0 1 237.299 2.454 20 0 BEADMN CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)[O-])o1 ZINC000737259577 585027972 /nfs/dbraw/zinc/02/79/72/585027972.db2.gz SVEHKTVRSVZYQL-NSHDSACASA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886041870 585036743 /nfs/dbraw/zinc/03/67/43/585036743.db2.gz ROBWBSXVBPHUHY-UVLXDEKHSA-N 0 1 239.359 2.053 20 0 BEADMN CCC/C=C/C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000737995789 585039917 /nfs/dbraw/zinc/03/99/17/585039917.db2.gz SZJPRTAVAODRMF-SBDDDAINSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc(C)cc(C[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000738222056 585041734 /nfs/dbraw/zinc/04/17/34/585041734.db2.gz MAQSXINQZWSLKI-UHFFFAOYSA-N 0 1 248.326 2.099 20 0 BEADMN CCCCCCNC(=O)NCc1cc(C)[nH]n1 ZINC000738448634 585046102 /nfs/dbraw/zinc/04/61/02/585046102.db2.gz KTTIDQBDGYPHLP-UHFFFAOYSA-N 0 1 238.335 2.098 20 0 BEADMN CCn1ncc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000838790356 585070400 /nfs/dbraw/zinc/07/04/00/585070400.db2.gz ZMKSAIAPEAJBFA-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCC[C@H]2C2CCC2)n1 ZINC000838810503 585070967 /nfs/dbraw/zinc/07/09/67/585070967.db2.gz NZDPPSWSDJAYEX-ZDUSSCGKSA-N 0 1 234.347 2.063 20 0 BEADMN CC[C@@H]1CCCN(Cc2cnn(CC)n2)CC1 ZINC000838839541 585073680 /nfs/dbraw/zinc/07/36/80/585073680.db2.gz FMEXMWPCCMKGQA-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1cnn(CC)n1 ZINC000838842794 585073988 /nfs/dbraw/zinc/07/39/88/585073988.db2.gz WFCWDQDEYQLAPD-CYBMUJFWSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1ncc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000838842099 585074106 /nfs/dbraw/zinc/07/41/06/585074106.db2.gz RMJCWVYYTXVXIM-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN[C@@H](C)CCc2ccco2)n1 ZINC000838889954 585078668 /nfs/dbraw/zinc/07/86/68/585078668.db2.gz QHADUWGLCQVAQP-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN CCCCCCNCc1cc(COC)on1 ZINC000838890827 585078819 /nfs/dbraw/zinc/07/88/19/585078819.db2.gz KFJAKGTYHOOCQL-UHFFFAOYSA-N 0 1 226.320 2.491 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838897324 585079292 /nfs/dbraw/zinc/07/92/92/585079292.db2.gz LTDYESNJAIJZFY-ONGXEEELSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)=C[C@H]1[C@H](C(=O)OCc2c[nH]nn2)C1(C)C ZINC000838899858 585079932 /nfs/dbraw/zinc/07/99/32/585079932.db2.gz AWGLFCOKUYWVIK-WDEREUQCSA-N 0 1 249.314 2.086 20 0 BEADMN CCCCC[C@H](C)CC(=O)OCc1c[nH]nn1 ZINC000838899640 585079977 /nfs/dbraw/zinc/07/99/77/585079977.db2.gz JKRVATKALIFFRT-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CCCC[C@H](CC)C(=O)OCc1c[nH]nn1 ZINC000838900062 585080033 /nfs/dbraw/zinc/08/00/33/585080033.db2.gz DRCCGJOTLCIFML-VIFPVBQESA-N 0 1 225.292 2.064 20 0 BEADMN CC(C)(C)CCCCC(=O)OCc1c[nH]nn1 ZINC000838899323 585080097 /nfs/dbraw/zinc/08/00/97/585080097.db2.gz GZTWMSJKYQEWGJ-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN CCn1ncc(CN[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000838989085 585084646 /nfs/dbraw/zinc/08/46/46/585084646.db2.gz FNFJWZSTDKNWNL-KBPBESRZSA-N 0 1 248.374 2.356 20 0 BEADMN C[Si](C)(C)CN1CCO[C@H](C(F)(F)F)C1 ZINC000739923720 585086420 /nfs/dbraw/zinc/08/64/20/585086420.db2.gz XAHRZJGLCGMFTK-QMMMGPOBSA-N 0 1 241.329 2.127 20 0 BEADMN Cc1ccc(CCCN2CC(O)(C(C)C)C2)cn1 ZINC000839133711 585093951 /nfs/dbraw/zinc/09/39/51/585093951.db2.gz UUTJVZMDVMOYPU-UHFFFAOYSA-N 0 1 248.370 2.025 20 0 BEADMN COCCC1(C)CN(Cc2ccoc2)C1 ZINC000839144193 585094895 /nfs/dbraw/zinc/09/48/95/585094895.db2.gz UQOYQBKCURAGEZ-UHFFFAOYSA-N 0 1 209.289 2.138 20 0 BEADMN ClC1(Cl)C[C@H]1CN1C[C@@H]2C[C@H]1CS2 ZINC000839201025 585099554 /nfs/dbraw/zinc/09/95/54/585099554.db2.gz CEIZAXHVFASOIT-FXQIFTODSA-N 0 1 238.183 2.370 20 0 BEADMN C[C@H]1C[C@H](C)N(Cn2c3ccccc3oc2=O)C1 ZINC000740860026 585107636 /nfs/dbraw/zinc/10/76/36/585107636.db2.gz OJSLCDALWWVIAS-QWRGUYRKSA-N 0 1 246.310 2.282 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cn1cccnc1=S ZINC000740859984 585107711 /nfs/dbraw/zinc/10/77/11/585107711.db2.gz NZYHYYRDGQKWRY-VHSXEESVSA-N 0 1 223.345 2.300 20 0 BEADMN CC[C@@H](C)OC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741014901 585109056 /nfs/dbraw/zinc/10/90/56/585109056.db2.gz RPEIFQJHPHRCAU-NEPJUHHUSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)COC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000741018988 585109410 /nfs/dbraw/zinc/10/94/10/585109410.db2.gz VQLYMTKNEFXJBP-GRYCIOLGSA-N 0 1 227.348 2.447 20 0 BEADMN CC(C)COC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000741018993 585109515 /nfs/dbraw/zinc/10/95/15/585109515.db2.gz VQLYMTKNEFXJBP-UTUOFQBUSA-N 0 1 227.348 2.447 20 0 BEADMN CCCCN(CC)[C@@H](C)C(=O)OCCC ZINC000741781256 585118398 /nfs/dbraw/zinc/11/83/98/585118398.db2.gz RIIWJCRXGWVXJG-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CCC)CCC ZINC000741781357 585118648 /nfs/dbraw/zinc/11/86/48/585118648.db2.gz SNVBRJFIXDAYRC-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H]1CC ZINC000741782143 585118722 /nfs/dbraw/zinc/11/87/22/585118722.db2.gz IJKORQSOOSOKMG-WDEREUQCSA-N 0 1 213.321 2.203 20 0 BEADMN C/C(=C\C(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000742537299 585127891 /nfs/dbraw/zinc/12/78/91/585127891.db2.gz VKGKOTVEOHZKLQ-VMPITWQZSA-N 0 1 207.277 2.341 20 0 BEADMN C/C(=C/C(=O)NCc1cc(C)[nH]n1)C(C)(C)C ZINC000742675009 585129879 /nfs/dbraw/zinc/12/98/79/585129879.db2.gz HZZJAAURSKUIJT-TWGQIWQCSA-N 0 1 235.331 2.327 20 0 BEADMN CC(C)[C@H](C)N(C)Cn1cc[nH]c1=S ZINC000743354155 585135535 /nfs/dbraw/zinc/13/55/35/585135535.db2.gz MYRHBDKIZIJRTM-VIFPVBQESA-N 0 1 213.350 2.106 20 0 BEADMN CC[C@H]1CCCN1Cn1cc[nH]c1=S ZINC000743361648 585136258 /nfs/dbraw/zinc/13/62/58/585136258.db2.gz RSMHXJOYTGKEPC-VIFPVBQESA-N 0 1 211.334 2.004 20 0 BEADMN Cc1noc(CN2CCC3(CCCC3)C2)n1 ZINC000743863770 585141470 /nfs/dbraw/zinc/14/14/70/585141470.db2.gz QCCNNIGCNLIPPL-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000746255046 585166489 /nfs/dbraw/zinc/16/64/89/585166489.db2.gz WPNMJCDMVNHMEL-ITGUQSILSA-N 0 1 247.342 2.025 20 0 BEADMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCF ZINC000746499553 585168749 /nfs/dbraw/zinc/16/87/49/585168749.db2.gz JHTSOBGROLLFIV-NSHDSACASA-N 0 1 248.305 2.230 20 0 BEADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCF ZINC000746499542 585168947 /nfs/dbraw/zinc/16/89/47/585168947.db2.gz JHTSOBGROLLFIV-LLVKDONJSA-N 0 1 248.305 2.230 20 0 BEADMN CCN(Cn1ccsc1=O)[C@H](C)C(C)C ZINC000746612982 585170970 /nfs/dbraw/zinc/17/09/70/585170970.db2.gz UHEQPALWBWFUAH-SNVBAGLBSA-N 0 1 228.361 2.234 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN(C)CCC2CC2)C1 ZINC000746638393 585171067 /nfs/dbraw/zinc/17/10/67/585171067.db2.gz WFYYZMQHIXKBTM-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)n1cc([C@H](C)NCc2ccnn2C)cn1 ZINC000747099793 585175125 /nfs/dbraw/zinc/17/51/25/585175125.db2.gz MOWNVEIOMXNZAN-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC[C@H]1c1ccc[nH]1 ZINC000748814304 585196470 /nfs/dbraw/zinc/19/64/70/585196470.db2.gz YYRKBCRHSNDYST-HJTPGIPUSA-N 0 1 248.326 2.271 20 0 BEADMN CC1(C)C(=O)N(CN2CCCCC2)C1(C)C ZINC000749164276 585200278 /nfs/dbraw/zinc/20/02/78/585200278.db2.gz HTFJDOHVVPNFTB-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CN(CC1CC1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749937206 585208613 /nfs/dbraw/zinc/20/86/13/585208613.db2.gz BOUUFWDRTJYOEV-CHWSQXEVSA-N 0 1 236.359 2.077 20 0 BEADMN CCCN(CC)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749947878 585208747 /nfs/dbraw/zinc/20/87/47/585208747.db2.gz IQGYGTVWAWAXOD-CHWSQXEVSA-N 0 1 238.375 2.467 20 0 BEADMN CCCCN(C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749941538 585208802 /nfs/dbraw/zinc/20/88/02/585208802.db2.gz QGXINDWGMWCDMM-QWHCGFSZSA-N 0 1 238.375 2.467 20 0 BEADMN CCC[C@@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789927394 585212731 /nfs/dbraw/zinc/21/27/31/585212731.db2.gz LMUXYFMFUPLFSG-LLVKDONJSA-N 0 1 244.298 2.327 20 0 BEADMN O=C(OCC1CC=CC1)[C@H]1CCCc2[nH]ncc21 ZINC000750374377 585213691 /nfs/dbraw/zinc/21/36/91/585213691.db2.gz WAFZGDGJHAYRTD-NSHDSACASA-N 0 1 246.310 2.339 20 0 BEADMN O=C(OCC1CC=CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000750374376 585213696 /nfs/dbraw/zinc/21/36/96/585213696.db2.gz WAFZGDGJHAYRTD-LLVKDONJSA-N 0 1 246.310 2.339 20 0 BEADMN C[C@@H](C(=O)N1CCC2(CCCC2)CC1)N(C)C ZINC000750612247 585217772 /nfs/dbraw/zinc/21/77/72/585217772.db2.gz AKVNOFIXINNSST-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(CC(C)C)CC1 ZINC000751187515 585225201 /nfs/dbraw/zinc/22/52/01/585225201.db2.gz CFCWLDAFQNIBKC-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN C[C@@H]1CCN(CC(=O)Nc2ccc(O)cc2)[C@@H]1C ZINC000752088044 585242139 /nfs/dbraw/zinc/24/21/39/585242139.db2.gz JKYLBMGPIRVAGJ-GHMZBOCLSA-N 0 1 248.326 2.061 20 0 BEADMN FCCN1CCC(C2CCOCC2)CC1 ZINC000752151627 585242835 /nfs/dbraw/zinc/24/28/35/585242835.db2.gz ZLXPBYPNXMZYTB-UHFFFAOYSA-N 0 1 215.312 2.095 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000753138989 585254190 /nfs/dbraw/zinc/25/41/90/585254190.db2.gz RVAUKHUJVCHMGK-SECBINFHSA-N 0 1 232.283 2.073 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C1\CC[C@@H](C)C1 ZINC000753593738 585263272 /nfs/dbraw/zinc/26/32/72/585263272.db2.gz RHTCGFSCPNKZJU-VKRGWIQLSA-N 0 1 233.315 2.081 20 0 BEADMN C[C@H]1[C@H](C)[N@@H+](CCC(=O)C(C)(C)C)CCN1C ZINC000753745971 585267677 /nfs/dbraw/zinc/26/76/77/585267677.db2.gz LNGHPNJVPIETIX-RYUDHWBXSA-N 0 1 240.391 2.016 20 0 BEADMN C[C@@H]1CN(CCC(=O)C(C)(C)C)[C@@H](C)[C@@H](C)O1 ZINC000753770899 585268901 /nfs/dbraw/zinc/26/89/01/585268901.db2.gz SPLRELNHYRJIOH-GRYCIOLGSA-N 0 1 241.375 2.489 20 0 BEADMN CCC(=CC(=O)N1CCN(CC)[C@H](C)C1)CC ZINC000754191444 585280017 /nfs/dbraw/zinc/28/00/17/585280017.db2.gz BUAVJNWLRSVVCC-GFCCVEGCSA-N 0 1 238.375 2.285 20 0 BEADMN C/C(=C/C(=O)NCc1cnc[nH]1)C(C)(C)C ZINC000754296124 585282296 /nfs/dbraw/zinc/28/22/96/585282296.db2.gz MQVHEKQJGXNTHD-UITAMQMPSA-N 0 1 221.304 2.018 20 0 BEADMN CC(C)N(CCF)CCc1nccs1 ZINC000754366722 585283218 /nfs/dbraw/zinc/28/32/18/585283218.db2.gz GBDDDRAGABVJFY-UHFFFAOYSA-N 0 1 216.325 2.366 20 0 BEADMN CCN1CCN(C/C(Cl)=C/Cl)C[C@@H]1C ZINC000754375067 585283506 /nfs/dbraw/zinc/28/35/06/585283506.db2.gz ZUYIEOLPOLWMOF-LKJZUNMESA-N 0 1 237.174 2.331 20 0 BEADMN COC(=O)c1oc(CN2CCC2(C)C)cc1C ZINC000754659412 585288716 /nfs/dbraw/zinc/28/87/16/585288716.db2.gz OPWOZMNBVUSBRM-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN CC1(C)CCN1C[C@@H](O)c1cccc(F)c1 ZINC000754657088 585288953 /nfs/dbraw/zinc/28/89/53/585288953.db2.gz GTUZSKNJWHXREJ-GFCCVEGCSA-N 0 1 223.291 2.343 20 0 BEADMN CC=C(C=CC(=O)OCc1n[nH]c(CC)n1)CC ZINC000754847497 585291446 /nfs/dbraw/zinc/29/14/46/585291446.db2.gz XXZVVCDKIHPBBS-DGMLTAMKSA-N 0 1 249.314 2.323 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@H](C(C)C)C1 ZINC000755998670 585312560 /nfs/dbraw/zinc/31/25/60/585312560.db2.gz ZAHWNRMANGCANE-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(C[NH2+]Cc2cc(C(=O)[O-])co2)c(C)o1 ZINC000756309084 585317299 /nfs/dbraw/zinc/31/72/99/585317299.db2.gz TZKFTQFHICIDMQ-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN FC[C@H]1CN(C[C@H]2CCc3ccccc32)CCO1 ZINC000839621318 585332464 /nfs/dbraw/zinc/33/24/64/585332464.db2.gz IRRBFMRUPWGQDX-KGLIPLIRSA-N 0 1 249.329 2.387 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000839661715 585334070 /nfs/dbraw/zinc/33/40/70/585334070.db2.gz YZLVWLRRANAFJM-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000839679593 585337117 /nfs/dbraw/zinc/33/71/17/585337117.db2.gz IJCHEKGIUVEIOO-CYBMUJFWSA-N 0 1 248.374 2.228 20 0 BEADMN O=C(OCC1CCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000757898070 585346313 /nfs/dbraw/zinc/34/63/13/585346313.db2.gz LTNUQQVYMOIHSY-SNVBAGLBSA-N 0 1 234.299 2.173 20 0 BEADMN CC[C@]1(C)CCN(CN2CCSC2=O)C1 ZINC000758396295 585355598 /nfs/dbraw/zinc/35/55/98/585355598.db2.gz OFAIBIZEDIDGOL-LLVKDONJSA-N 0 1 228.361 2.235 20 0 BEADMN CC[C@]1(C)CCN(CN2CCSC2=S)C1 ZINC000758395370 585355708 /nfs/dbraw/zinc/35/57/08/585355708.db2.gz LCTRHZKVZUPMLX-LLVKDONJSA-N 0 1 244.429 2.400 20 0 BEADMN C[C@@H]1CCN(CN2CCSC2=O)CC1(C)C ZINC000759001617 585363426 /nfs/dbraw/zinc/36/34/26/585363426.db2.gz XRZIUXRPTSFZPE-SNVBAGLBSA-N 0 1 242.388 2.481 20 0 BEADMN CCC(=CC(=O)NCc1cc(CC)[nH]n1)CC ZINC000759209604 585365589 /nfs/dbraw/zinc/36/55/89/585365589.db2.gz GNOOHFLMKKTYDF-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN FCCN1CCC(OC2CCCC2)CC1 ZINC000759332172 585368303 /nfs/dbraw/zinc/36/83/03/585368303.db2.gz KZXPKSVJUZOPLS-UHFFFAOYSA-N 0 1 215.312 2.380 20 0 BEADMN COc1ccccc1[C@@H]1CCN(CCF)C1 ZINC000759343155 585369765 /nfs/dbraw/zinc/36/97/65/585369765.db2.gz LVACFYSQARWVTD-LLVKDONJSA-N 0 1 223.291 2.454 20 0 BEADMN OCCN(CCF)[C@H]1CCCc2ccccc21 ZINC000759344353 585369815 /nfs/dbraw/zinc/36/98/15/585369815.db2.gz YJEPVHBRMXNSMO-AWEZNQCLSA-N 0 1 237.318 2.328 20 0 BEADMN CN(CCF)[C@@H](CCO)c1ccccc1 ZINC000759345655 585370344 /nfs/dbraw/zinc/37/03/44/585370344.db2.gz HMECNPZNTCUXCT-LBPRGKRZSA-N 0 1 211.280 2.011 20 0 BEADMN C1=CCC(NCc2cn(-c3ccccc3)nn2)C1 ZINC000759855545 585381429 /nfs/dbraw/zinc/38/14/29/585381429.db2.gz VTMICQAFHBXVOD-UHFFFAOYSA-N 0 1 240.310 2.076 20 0 BEADMN C[C@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)C1CC1 ZINC000760033126 585384505 /nfs/dbraw/zinc/38/45/05/585384505.db2.gz ZHXDNPHCVSEAHL-MRVPVSSYSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)C1CC1 ZINC000760033126 585384506 /nfs/dbraw/zinc/38/45/06/585384506.db2.gz ZHXDNPHCVSEAHL-MRVPVSSYSA-N 0 1 248.330 2.447 20 0 BEADMN CCN(CCC1CC1)CN1CCSC1=O ZINC000760537062 585393887 /nfs/dbraw/zinc/39/38/87/585393887.db2.gz ANMAVLPIMPGIEH-UHFFFAOYSA-N 0 1 228.361 2.235 20 0 BEADMN CC[C@H]1CC(=O)N(CN(CC)CCC2CC2)C1 ZINC000760537273 585393902 /nfs/dbraw/zinc/39/39/02/585393902.db2.gz JFXJWMSSXWGIIR-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)CCC1CC1 ZINC000760879363 585401094 /nfs/dbraw/zinc/40/10/94/585401094.db2.gz CUABPERHXSTNIS-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H]1CN(Cc2ccc(F)cc2F)CCN1C ZINC000761079909 585406580 /nfs/dbraw/zinc/40/65/80/585406580.db2.gz RSXOBHIJZRCUBL-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN O[C@H](CN1CC[C@@H]2C[C@@H]21)c1c(F)cccc1F ZINC000761101680 585409397 /nfs/dbraw/zinc/40/93/97/585409397.db2.gz YBVJELRZHZWUIV-JFUSQASVSA-N 0 1 239.265 2.092 20 0 BEADMN c1cc(CN2CCOCC3(CCC3)C2)co1 ZINC000761226993 585412639 /nfs/dbraw/zinc/41/26/39/585412639.db2.gz UMOOKMYTDJWTEV-UHFFFAOYSA-N 0 1 221.300 2.282 20 0 BEADMN Cc1ccc(N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC000763006913 585441130 /nfs/dbraw/zinc/44/11/30/585441130.db2.gz HXTJXUVDSGEENY-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN Cc1cccc(N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC000763009855 585441448 /nfs/dbraw/zinc/44/14/48/585441448.db2.gz ZZPJDEZFRJXFFV-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN C[C@H](C(=O)OCC1CC1)N1[C@H](C)CC[C@@H]1C ZINC000763983512 585458362 /nfs/dbraw/zinc/45/83/62/585458362.db2.gz WWRQBASUSUJYPH-OUAUKWLOSA-N 0 1 225.332 2.201 20 0 BEADMN CC[C@@H](C)CON=C(N)CN1CCCC[C@@H]1C ZINC000764554858 585467769 /nfs/dbraw/zinc/46/77/69/585467769.db2.gz YMHZXCUTCIKTFE-NEPJUHHUSA-N 0 1 241.379 2.405 20 0 BEADMN CC[C@H](C)CON=C(N)CN1CCCC[C@@H]1C ZINC000764554860 585467806 /nfs/dbraw/zinc/46/78/06/585467806.db2.gz YMHZXCUTCIKTFE-RYUDHWBXSA-N 0 1 241.379 2.405 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cccc2[nH]cnc21 ZINC000764824099 585474902 /nfs/dbraw/zinc/47/49/02/585474902.db2.gz CFNAHPWDYMIUIH-VIFPVBQESA-N 0 1 247.298 2.365 20 0 BEADMN CN(C)C1CN(C(=O)C2CCCCCCC2)C1 ZINC000765380102 585484851 /nfs/dbraw/zinc/48/48/51/585484851.db2.gz GRQUHAOIVZNBRY-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC/C=C\C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000765934428 585493857 /nfs/dbraw/zinc/49/38/57/585493857.db2.gz DDUWSQQVRPIZRV-GFUJYOBASA-N 0 1 238.375 2.284 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C=C2CCC2)C[C@H]1C ZINC000765929380 585494021 /nfs/dbraw/zinc/49/40/21/585494021.db2.gz LWLZAWSOXPCGLK-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H](C(=O)OC1CCC1)N(CC)CC ZINC000765966729 585494443 /nfs/dbraw/zinc/49/44/43/585494443.db2.gz YBHWPOISCRFDHL-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C(=O)OCc1n[nH]c(C)n1)=C1CCCC1 ZINC000765958970 585494575 /nfs/dbraw/zinc/49/45/75/585494575.db2.gz OVAPLEFBGJXZOM-UHFFFAOYSA-N 0 1 235.287 2.047 20 0 BEADMN C[C@@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000766690238 585505408 /nfs/dbraw/zinc/50/54/08/585505408.db2.gz CGGAAMVTEPTUNU-CABZTGNLSA-N 0 1 247.342 2.340 20 0 BEADMN CCc1nc([C@H](C)NCc2cc(C)oc2C)n[nH]1 ZINC000767394082 585518965 /nfs/dbraw/zinc/51/89/65/585518965.db2.gz YUGVFOUWSFCMFL-VIFPVBQESA-N 0 1 248.330 2.428 20 0 BEADMN C/C=C\COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767806266 585526207 /nfs/dbraw/zinc/52/62/07/585526207.db2.gz UOYGEEZSSGTFSX-IHWYPQMZSA-N 0 1 243.266 2.205 20 0 BEADMN Cl/C=C\CN1CCC(c2c[nH]cn2)CC1 ZINC000767901085 585527907 /nfs/dbraw/zinc/52/79/07/585527907.db2.gz SOLHSAICXCQBER-RJRFIUFISA-N 0 1 225.723 2.342 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC000768378611 585537357 /nfs/dbraw/zinc/53/73/57/585537357.db2.gz UFGAPYPTIUUYFN-ZJUUUORDSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC000768378606 585537561 /nfs/dbraw/zinc/53/75/61/585537561.db2.gz UFGAPYPTIUUYFN-UWVGGRQHSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cccc2nc(CNC(=O)C(C)(C)F)[nH]c21 ZINC000768514401 585539472 /nfs/dbraw/zinc/53/94/72/585539472.db2.gz WBTLNFWYGMBPSX-UHFFFAOYSA-N 0 1 249.289 2.236 20 0 BEADMN CC(C)C[C@H](C)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000768545525 585540134 /nfs/dbraw/zinc/54/01/34/585540134.db2.gz YSWQUSJTVONISL-NSHDSACASA-N 0 1 249.420 2.176 20 0 BEADMN CCCc1cc(C(=O)N(OC)[C@@H](C)CC)[nH]n1 ZINC000768896620 585545061 /nfs/dbraw/zinc/54/50/61/585545061.db2.gz PKCZNYGAVDFRJO-VIFPVBQESA-N 0 1 239.319 2.164 20 0 BEADMN O=C1C[C@@H](C2CC2)CN1CN1CCCC2(CC2)C1 ZINC000769799100 585563339 /nfs/dbraw/zinc/56/33/39/585563339.db2.gz SJELYSFJXNNDGG-CYBMUJFWSA-N 0 1 248.370 2.078 20 0 BEADMN COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000770506234 585575286 /nfs/dbraw/zinc/57/52/86/585575286.db2.gz ZUGXDSCJGYZCPN-CMPLNLGQSA-N 0 1 231.311 2.008 20 0 BEADMN Cc1nc(COC(=O)C[C@@H](C)CC(C)C)n[nH]1 ZINC000770641524 585578724 /nfs/dbraw/zinc/57/87/24/585578724.db2.gz XFEFHGUGFBLLBP-VIFPVBQESA-N 0 1 239.319 2.229 20 0 BEADMN Cc1nc(COC(=O)C[C@H](C)CC(C)C)n[nH]1 ZINC000770641523 585578869 /nfs/dbraw/zinc/57/88/69/585578869.db2.gz XFEFHGUGFBLLBP-SECBINFHSA-N 0 1 239.319 2.229 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccc(F)cn2)[nH]n1 ZINC000771388819 585593394 /nfs/dbraw/zinc/59/33/94/585593394.db2.gz KFGQZPGUYCFKGQ-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000771940470 585605237 /nfs/dbraw/zinc/60/52/37/585605237.db2.gz SVKPUOJVBWWLKK-GFCCVEGCSA-N 0 1 209.289 2.281 20 0 BEADMN c1cc(SCCN2CCSCC2)ccn1 ZINC000772857778 585625500 /nfs/dbraw/zinc/62/55/00/585625500.db2.gz LMIJWMSOPIJHFB-UHFFFAOYSA-N 0 1 240.397 2.223 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)NCc1cnc[nH]1 ZINC000773102553 585631484 /nfs/dbraw/zinc/63/14/84/585631484.db2.gz YWBLGRINLGJHFK-WEVVVXLNSA-N 0 1 221.304 2.018 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773124319 585631993 /nfs/dbraw/zinc/63/19/93/585631993.db2.gz XKPWZKYXFNFEMI-GXSJLCMTSA-N 0 1 232.331 2.468 20 0 BEADMN O=C(Cc1ccsc1)NOc1ccccc1 ZINC000773459630 585637161 /nfs/dbraw/zinc/63/71/61/585637161.db2.gz CMNZVAAXDZOVRN-UHFFFAOYSA-N 0 1 233.292 2.401 20 0 BEADMN COCCC1(C(=O)NOc2ccccc2)CCC1 ZINC000773474737 585637621 /nfs/dbraw/zinc/63/76/21/585637621.db2.gz XBGFVISVZBPKQK-UHFFFAOYSA-N 0 1 249.310 2.303 20 0 BEADMN CSCCOC(=O)c1c(F)cc(O)cc1F ZINC000773512938 585638766 /nfs/dbraw/zinc/63/87/66/585638766.db2.gz DPSMCZXWNVRKTJ-UHFFFAOYSA-N 0 1 248.250 2.190 20 0 BEADMN CC(C)C(N)=NOCc1ccnc(Cl)c1 ZINC000774777518 585665836 /nfs/dbraw/zinc/66/58/36/585665836.db2.gz OUUONNMSKFBCRD-UHFFFAOYSA-N 0 1 227.695 2.389 20 0 BEADMN CN(Cc1ccoc1)C[C@@H]1CCC=CO1 ZINC000774853624 585667633 /nfs/dbraw/zinc/66/76/33/585667633.db2.gz OXDVOCFSHRNWER-LBPRGKRZSA-N 0 1 207.273 2.404 20 0 BEADMN Cc1ccc([C@H](O)CNCc2nccs2)cc1 ZINC000775027785 585670671 /nfs/dbraw/zinc/67/06/71/585670671.db2.gz IKTHVAKBOBZFBS-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cc(NC(=O)NOC2CCCC2)sn1 ZINC000775336091 585675815 /nfs/dbraw/zinc/67/58/15/585675815.db2.gz BRIHDNRNZNQGBB-UHFFFAOYSA-N 0 1 241.316 2.447 20 0 BEADMN Cc1ccc(CN2CCOCC[C@@H]2C)nc1 ZINC000775566829 585679740 /nfs/dbraw/zinc/67/97/40/585679740.db2.gz DCYIGFHIFQUWHP-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H](C)CC1 ZINC000776579110 585701019 /nfs/dbraw/zinc/70/10/19/585701019.db2.gz JOCPKIRAPWFOIV-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN c1csc([C@H]2CCCN2Cn2cnnc2)c1 ZINC000776757031 585704131 /nfs/dbraw/zinc/70/41/31/585704131.db2.gz XMYKDTIMZWUURL-SNVBAGLBSA-N 0 1 234.328 2.134 20 0 BEADMN CC[C@H](c1ccncc1)N(CC)Cn1cnnc1 ZINC000776760635 585704959 /nfs/dbraw/zinc/70/49/59/585704959.db2.gz USPAJVQZBXOJEK-CYBMUJFWSA-N 0 1 245.330 2.104 20 0 BEADMN Cc1ccc(N[C@H](C)[C@@H]2CCOC2)c(N(C)C)n1 ZINC000777275390 585710050 /nfs/dbraw/zinc/71/00/50/585710050.db2.gz NCFCFBSFLLOXNG-VXGBXAGGSA-N 0 1 249.358 2.293 20 0 BEADMN Cc1ccccc1CN(CC1OCCO1)C1CC1 ZINC000777563182 585715151 /nfs/dbraw/zinc/71/51/51/585715151.db2.gz HMVUEQYFVLCDIT-UHFFFAOYSA-N 0 1 247.338 2.332 20 0 BEADMN O=C(Cc1ccco1)NOC1CCCCC1 ZINC000777961579 585724594 /nfs/dbraw/zinc/72/45/94/585724594.db2.gz JWJCVNZTDRZZJF-UHFFFAOYSA-N 0 1 223.272 2.203 20 0 BEADMN C[C@@H]1CC[C@@](CO)(N(C)Cc2cscn2)C1 ZINC000778426804 585734448 /nfs/dbraw/zinc/73/44/48/585734448.db2.gz BUHYZDIJMLYXNA-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN CC[C@H](C(=O)O[C@@H]1C=CCC1)N(CC)CC ZINC000778712892 585739637 /nfs/dbraw/zinc/73/96/37/585739637.db2.gz LORUJAHGDCAKKI-VXGBXAGGSA-N 0 1 225.332 2.369 20 0 BEADMN C[C@@]1(C(=O)NOC2CCCCC2)CCCOC1 ZINC000779315886 585750742 /nfs/dbraw/zinc/75/07/42/585750742.db2.gz BZOQPCWVBPUIFB-CYBMUJFWSA-N 0 1 241.331 2.184 20 0 BEADMN COCC(C)(C)C(=O)NOC1CCCCC1 ZINC000779320981 585751104 /nfs/dbraw/zinc/75/11/04/585751104.db2.gz RYNZOZXLOOUGIM-UHFFFAOYSA-N 0 1 229.320 2.040 20 0 BEADMN CCC(CC)c1cc(CN[C@H](C)CCO)on1 ZINC000779348008 585752383 /nfs/dbraw/zinc/75/23/83/585752383.db2.gz OFXWPUWQDDEFSQ-SNVBAGLBSA-N 0 1 240.347 2.439 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000780951252 585786958 /nfs/dbraw/zinc/78/69/58/585786958.db2.gz RDFAZMKFMBNJFT-WEVJOFGFSA-N 0 1 238.375 2.332 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000781013004 585788655 /nfs/dbraw/zinc/78/86/55/585788655.db2.gz ILEFPEFUXVMULR-OBXXYZRDSA-N 0 1 238.375 2.284 20 0 BEADMN O=C(CCN1CCC[C@@H](OC(F)F)C1)C1CC1 ZINC000781351711 585795007 /nfs/dbraw/zinc/79/50/07/585795007.db2.gz BIRHPXOABNJZOZ-SNVBAGLBSA-N 0 1 247.285 2.059 20 0 BEADMN COC(CN1CC[C@H]1c1ccccc1)OC ZINC000781898465 585804899 /nfs/dbraw/zinc/80/48/99/585804899.db2.gz LHHRYPYPTPBSCN-LBPRGKRZSA-N 0 1 221.300 2.052 20 0 BEADMN COC(CN1Cc2ccccc2[C@H]1C)OC ZINC000781900290 585805140 /nfs/dbraw/zinc/80/51/40/585805140.db2.gz YUGJUGGSERNICE-SNVBAGLBSA-N 0 1 221.300 2.182 20 0 BEADMN C[C@H](C1CC1)N1CCN(c2ncccc2F)CC1 ZINC000782183960 585810771 /nfs/dbraw/zinc/81/07/71/585810771.db2.gz BRRGFLPJJBPTSI-LLVKDONJSA-N 0 1 249.333 2.141 20 0 BEADMN CC(C)c1ccccc1CNCc1cnnn1C ZINC000782540775 585819947 /nfs/dbraw/zinc/81/99/47/585819947.db2.gz ZTIVGEVWGPVNRC-UHFFFAOYSA-N 0 1 244.342 2.228 20 0 BEADMN ClC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000784358790 585857021 /nfs/dbraw/zinc/85/70/21/585857021.db2.gz ZMQYJNGABQVGJF-MEQVVJDKSA-N 0 1 248.717 2.236 20 0 BEADMN C[C@H](CN1CC=CCC1)NC(=O)OC(C)(C)C ZINC000785480524 585874574 /nfs/dbraw/zinc/87/45/74/585874574.db2.gz IAKZZUZZYOGGBB-LLVKDONJSA-N 0 1 240.347 2.162 20 0 BEADMN CC(C)(F)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785876978 585882242 /nfs/dbraw/zinc/88/22/42/585882242.db2.gz REEXRDCNICKLTF-UHFFFAOYSA-N 0 1 239.225 2.389 20 0 BEADMN Cc1nc(F)ccc1CN1CCCO[C@@H](C)C1 ZINC000787145949 585902137 /nfs/dbraw/zinc/90/21/37/585902137.db2.gz GQIJYIAWPNPCQW-JTQLQIEISA-N 0 1 238.306 2.140 20 0 BEADMN CC1(C)CN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000788435646 585923190 /nfs/dbraw/zinc/92/31/90/585923190.db2.gz WPYKYOPFPZOYSI-GFCCVEGCSA-N 0 1 223.291 2.201 20 0 BEADMN C/C=C(/CC)C(=O)NCCN1CC=C(C)CC1 ZINC000788959816 585932483 /nfs/dbraw/zinc/93/24/83/585932483.db2.gz GHHMGPYMMSUJSO-PQMHYQBVSA-N 0 1 236.359 2.111 20 0 BEADMN Cc1cc([C@H]2CCCN2CCC[C@@H](C)O)no1 ZINC000789304826 585939149 /nfs/dbraw/zinc/93/91/49/585939149.db2.gz FFPDBPFBIFLEPG-ZWNOBZJWSA-N 0 1 238.331 2.281 20 0 BEADMN COC[C@H](Cc1ccccc1)N(C)CCF ZINC000789456182 585943078 /nfs/dbraw/zinc/94/30/78/585943078.db2.gz NHTQHWZBQVRHEJ-ZDUSSCGKSA-N 0 1 225.307 2.145 20 0 BEADMN Cc1occc1COC(=O)[C@H](C(C)C)N(C)C ZINC000789802600 585950532 /nfs/dbraw/zinc/95/05/32/585950532.db2.gz FQEODDNRXYTCIV-LBPRGKRZSA-N 0 1 239.315 2.217 20 0 BEADMN CC(C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000789804352 585950754 /nfs/dbraw/zinc/95/07/54/585950754.db2.gz OWNPSECKAKLYTO-QWRGUYRKSA-N 0 1 215.337 2.160 20 0 BEADMN O=C(Nc1cnoc1)c1nc(Cl)cs1 ZINC000789919236 585953159 /nfs/dbraw/zinc/95/31/59/585953159.db2.gz GSAGZRRGMPQNKP-UHFFFAOYSA-N 0 1 229.648 2.037 20 0 BEADMN CSc1ccc(C)c(C(=O)Nc2c[nH]nn2)c1 ZINC000789925373 585953303 /nfs/dbraw/zinc/95/33/03/585953303.db2.gz AYSGGAZFZYSRJT-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN C[C@@H](CC(=O)Nc1c[nH]nn1)c1ccccc1F ZINC000789926668 585953447 /nfs/dbraw/zinc/95/34/47/585953447.db2.gz UZIGOTXTIWWDSC-QMMMGPOBSA-N 0 1 248.261 2.076 20 0 BEADMN C[C@H](CC(=O)Nc1c[nH]nn1)c1cccc(F)c1 ZINC000789926650 585953583 /nfs/dbraw/zinc/95/35/83/585953583.db2.gz TXUUTCJPYMBUIY-MRVPVSSYSA-N 0 1 248.261 2.076 20 0 BEADMN CCC(=O)CCN1CCO[C@H](C(C)(C)C)C1 ZINC000790431451 585964589 /nfs/dbraw/zinc/96/45/89/585964589.db2.gz JSDRDVSKQNCLOJ-LBPRGKRZSA-N 0 1 227.348 2.103 20 0 BEADMN O=C(CCCCc1cn[nH]n1)OCC1=CCCC1 ZINC000790821052 585969560 /nfs/dbraw/zinc/96/95/60/585969560.db2.gz GXHBTBAOYJDLAR-UHFFFAOYSA-N 0 1 249.314 2.171 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@H]2C)nc1 ZINC000791565876 585984159 /nfs/dbraw/zinc/98/41/59/585984159.db2.gz KHXIVFAMOXOMNL-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN O[C@@H](CNCC1(F)CC1)c1c(F)cccc1F ZINC000792991080 586008034 /nfs/dbraw/zinc/00/80/34/586008034.db2.gz DQVMDACDIKGJMX-JTQLQIEISA-N 0 1 245.244 2.090 20 0 BEADMN O=C(OC1CCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000793162198 586012405 /nfs/dbraw/zinc/01/24/05/586012405.db2.gz NMUDVCKCWJZFPF-UHFFFAOYSA-N 0 1 243.266 2.181 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)c2ccc[nH]2)n(C)n1 ZINC000793545855 586022534 /nfs/dbraw/zinc/02/25/34/586022534.db2.gz DDRZWTLEJRSNOI-MNOVXSKESA-N 0 1 232.331 2.468 20 0 BEADMN Cc1cc([C@H](C)NCc2cncc(C)c2)n(C)n1 ZINC000793550116 586022840 /nfs/dbraw/zinc/02/28/40/586022840.db2.gz QJAAKQKVKFPRAL-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCCCCCC(=O)NCCN1CC=CCC1 ZINC000794117366 586032711 /nfs/dbraw/zinc/03/27/11/586032711.db2.gz CJWBYLPXLYEVHN-UHFFFAOYSA-N 0 1 238.375 2.335 20 0 BEADMN CC=CC=CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795250346 586073635 /nfs/dbraw/zinc/07/36/35/586073635.db2.gz LEALIBGTLKMWPX-YTXTXJHMSA-N 0 1 235.287 2.104 20 0 BEADMN CC=CC=CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795250346 586073637 /nfs/dbraw/zinc/07/36/37/586073637.db2.gz LEALIBGTLKMWPX-YTXTXJHMSA-N 0 1 235.287 2.104 20 0 BEADMN CC(C)CCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795282089 586074593 /nfs/dbraw/zinc/07/45/93/586074593.db2.gz UYDICVVXYQMEBA-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CC(C)CCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795282089 586074595 /nfs/dbraw/zinc/07/45/95/586074595.db2.gz UYDICVVXYQMEBA-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CCC(C)(C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795380447 586076713 /nfs/dbraw/zinc/07/67/13/586076713.db2.gz HUMSEPYLNZSLHY-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CCC(C)(C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795380447 586076714 /nfs/dbraw/zinc/07/67/14/586076714.db2.gz HUMSEPYLNZSLHY-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@@H](C(F)F)CC1=O ZINC000795421874 586077777 /nfs/dbraw/zinc/07/77/77/586077777.db2.gz FFLWMKGZNNUZNS-ZJUUUORDSA-N 0 1 248.317 2.035 20 0 BEADMN CC(C)CCN(C)CN1C[C@H](C(F)F)CC1=O ZINC000795418994 586077930 /nfs/dbraw/zinc/07/79/30/586077930.db2.gz XZXMFVGXAOJUKX-SNVBAGLBSA-N 0 1 248.317 2.035 20 0 BEADMN CCC1(C(=O)OCc2nc(C(C)C)n[nH]2)CC1 ZINC000795443493 586078891 /nfs/dbraw/zinc/07/88/91/586078891.db2.gz DIZVVAYOJXZKCQ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CCC1(C(=O)OCc2n[nH]c(C(C)C)n2)CC1 ZINC000795443493 586078893 /nfs/dbraw/zinc/07/88/93/586078893.db2.gz DIZVVAYOJXZKCQ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC=C(C=CC(=O)OCc1n[nH]c(C)n1)CC ZINC000795476408 586080905 /nfs/dbraw/zinc/08/09/05/586080905.db2.gz NZNIFRCBDVMFAF-UPRYYGGVSA-N 0 1 235.287 2.069 20 0 BEADMN CN(CC1CCCC1)[C@@H]1CC(C)(C)OC1=O ZINC000795653250 586090170 /nfs/dbraw/zinc/09/01/70/586090170.db2.gz PZROWSGKDJYHDQ-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN CN(CCC(C)(C)C)[C@@H]1CC(C)(C)OC1=O ZINC000795684840 586090974 /nfs/dbraw/zinc/09/09/74/586090974.db2.gz ARGKUXULFLRJIL-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN CCN1CCN(C/C(Cl)=C\Cl)[C@@H](C)C1 ZINC000796316245 586100442 /nfs/dbraw/zinc/10/04/42/586100442.db2.gz NIEALUKDKWLAIV-CMWXKVOJSA-N 0 1 237.174 2.331 20 0 BEADMN Fc1ccc(CC2CN(Cc3cnc[nH]3)C2)cc1 ZINC000796449935 586103398 /nfs/dbraw/zinc/10/33/98/586103398.db2.gz NNHAGCPFQZXXOS-UHFFFAOYSA-N 0 1 245.301 2.223 20 0 BEADMN FC1(F)CCN(CCc2ccccn2)CC1 ZINC000796539782 586106494 /nfs/dbraw/zinc/10/64/94/586106494.db2.gz ONENGDXUUFRIKJ-UHFFFAOYSA-N 0 1 226.270 2.355 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)CC1CCC1 ZINC000796540750 586106516 /nfs/dbraw/zinc/10/65/16/586106516.db2.gz WEXQZMOLNBVHPV-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)OC(=O)CCN1CCC(F)(F)CC1 ZINC000796553980 586106653 /nfs/dbraw/zinc/10/66/53/586106653.db2.gz ZXLMYTFFXVUDEZ-UHFFFAOYSA-N 0 1 235.274 2.059 20 0 BEADMN CCC[C@](C)(CC)C(=O)OCc1n[nH]c(C)n1 ZINC000796767674 586111965 /nfs/dbraw/zinc/11/19/65/586111965.db2.gz IKQROSBYPFUJGA-LBPRGKRZSA-N 0 1 239.319 2.373 20 0 BEADMN C[C@H](C[C@H](O)c1ccco1)N[C@@H](C)c1ncc[nH]1 ZINC000796798742 586113218 /nfs/dbraw/zinc/11/32/18/586113218.db2.gz QOZBQOYWZTYVCR-VWYCJHECSA-N 0 1 249.314 2.166 20 0 BEADMN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1nnnn1C1CC1 ZINC000796967687 586118131 /nfs/dbraw/zinc/11/81/31/586118131.db2.gz YEPSQLDMNZCGNU-MVWJERBFSA-N 0 1 249.362 2.093 20 0 BEADMN CC1=CCCN(CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000797823363 586132473 /nfs/dbraw/zinc/13/24/73/586132473.db2.gz UGRNWCCPVWPZIQ-UHFFFAOYSA-N 0 1 236.359 2.243 20 0 BEADMN C[C@H](c1ccc(F)cc1)N(C)CC[S@](C)=O ZINC000798192545 586138826 /nfs/dbraw/zinc/13/88/26/586138826.db2.gz DEQGEBALRQZQOX-HWPZZCPQSA-N 0 1 243.347 2.197 20 0 BEADMN C[N@@H+](CC[S@](C)=O)C1CCCCCCC1 ZINC000798195768 586139805 /nfs/dbraw/zinc/13/98/05/586139805.db2.gz PODROBRKNCHDBS-HNNXBMFYSA-N 0 1 231.405 2.410 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccco1)N(C)C ZINC000798845914 586151249 /nfs/dbraw/zinc/15/12/49/586151249.db2.gz RLAIJASRIIXMFR-PWSUYJOCSA-N 0 1 239.315 2.470 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccco1)N(C)C ZINC000798845913 586151307 /nfs/dbraw/zinc/15/13/07/586151307.db2.gz RLAIJASRIIXMFR-JQWIXIFHSA-N 0 1 239.315 2.470 20 0 BEADMN CC[C@@H](C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798847640 586151505 /nfs/dbraw/zinc/15/15/05/586151505.db2.gz PVACTGAOGLYNFD-GHMZBOCLSA-N 0 1 215.337 2.162 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1CC[C@@H](C)C1)N(C)C ZINC000798850255 586151508 /nfs/dbraw/zinc/15/15/08/586151508.db2.gz MESHUIVNRLZWIL-UTUOFQBUSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1CC[C@H](C)C1)N(C)C ZINC000798850252 586151590 /nfs/dbraw/zinc/15/15/90/586151590.db2.gz MESHUIVNRLZWIL-SDDRHHMPSA-N 0 1 227.348 2.304 20 0 BEADMN CCC[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798859494 586151729 /nfs/dbraw/zinc/15/17/29/586151729.db2.gz JCIIIJXGZCFDJJ-QWRGUYRKSA-N 0 1 215.337 2.304 20 0 BEADMN CC1(C)CCC[N@H+]1C[C@@H](O)c1ccc(F)cn1 ZINC000799299912 586168724 /nfs/dbraw/zinc/16/87/24/586168724.db2.gz DZLUKAJRBQZEMX-GFCCVEGCSA-N 0 1 238.306 2.129 20 0 BEADMN Cc1cc(CC(=O)O[C@H]2CCCC2(C)C)n[nH]1 ZINC000799495212 586181347 /nfs/dbraw/zinc/18/13/47/586181347.db2.gz PHJWTMDFLNTFKP-NSHDSACASA-N 0 1 236.315 2.383 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)nc2)[C@@H](C)C1 ZINC000799736234 586195438 /nfs/dbraw/zinc/19/54/38/586195438.db2.gz JCVTWUZMHKHHCT-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1ccc(CN2CC(C3CCOCC3)C2)cn1 ZINC000800529875 586224106 /nfs/dbraw/zinc/22/41/06/586224106.db2.gz IJYNGAWEWQHGMT-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN O=C(NC[C@H]1CCCC(F)(F)C1)C(F)(F)F ZINC000800569948 586225056 /nfs/dbraw/zinc/22/50/56/586225056.db2.gz DFAWGAANMNVPNY-LURJTMIESA-N 0 1 245.191 2.490 20 0 BEADMN CC(C)(C)c1ncc2c(n1)CCN(CCF)C2 ZINC000859442620 589037026 /nfs/dbraw/zinc/03/70/26/589037026.db2.gz NHTFQHDKTRHHFC-UHFFFAOYSA-N 0 1 237.322 2.102 20 0 BEADMN OCCCCCCN1Cc2ccc(O)cc2C1 ZINC000859477988 589040170 /nfs/dbraw/zinc/04/01/70/589040170.db2.gz AEZVODBVUPKLRR-UHFFFAOYSA-N 0 1 235.327 2.261 20 0 BEADMN CC(C)CN(CN1C(=O)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000839956753 586293690 /nfs/dbraw/zinc/29/36/90/586293690.db2.gz BSFILDXDGBGQEH-OLZOCXBDSA-N 0 1 236.359 2.075 20 0 BEADMN CCCCN(CN1C[C@H](C)[C@H](C)C1=O)C1CC1 ZINC000839957453 586294587 /nfs/dbraw/zinc/29/45/87/586294587.db2.gz CGSACSSDFGRTIK-RYUDHWBXSA-N 0 1 238.375 2.323 20 0 BEADMN CCCCN(CC)CN1CCC(C)(C)C1=O ZINC000839958428 586296318 /nfs/dbraw/zinc/29/63/18/586296318.db2.gz JPPIWVWURDIXBV-UHFFFAOYSA-N 0 1 226.364 2.324 20 0 BEADMN CC(C)N(CN1C[C@H]2CCC[C@@H]2C1=O)C1CC1 ZINC000839961627 586302167 /nfs/dbraw/zinc/30/21/67/586302167.db2.gz YAIKXOPCCCILMI-YPMHNXCESA-N 0 1 236.359 2.075 20 0 BEADMN CCC1CCN(CN2C[C@H](C)[C@H](C)C2=O)CC1 ZINC000839968520 586305783 /nfs/dbraw/zinc/30/57/83/586305783.db2.gz LGHHJYPUXDNHSH-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN FC(F)[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000802653424 586307962 /nfs/dbraw/zinc/30/79/62/586307962.db2.gz LVYJIPKDGIPFMD-GHMZBOCLSA-N 0 1 231.286 2.309 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CC[C@@H](C2)S3)cn1 ZINC000859542182 589043852 /nfs/dbraw/zinc/04/38/52/589043852.db2.gz ZLOSSXRSHSQBBU-OLZOCXBDSA-N 0 1 249.383 2.255 20 0 BEADMN C[C@H](C(=O)OC[C@H]1C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000859566776 589045377 /nfs/dbraw/zinc/04/53/77/589045377.db2.gz LXXSVVISMYKTDS-UJPOAAIJSA-N 0 1 239.359 2.447 20 0 BEADMN CC(C)SCCOC(=O)[C@H](C(C)C)N(C)C ZINC000803494979 586361836 /nfs/dbraw/zinc/36/18/36/586361836.db2.gz ATNVOOPBVRJVFN-NSHDSACASA-N 0 1 247.404 2.257 20 0 BEADMN C[C@H]1CN(CN(C)CC(C)(C)C)C(=O)[C@H]1C ZINC000840005119 586364954 /nfs/dbraw/zinc/36/49/54/586364954.db2.gz VHMLJYNRTDCXKV-QWRGUYRKSA-N 0 1 226.364 2.036 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]2C[C@@H]21 ZINC000804292524 586387872 /nfs/dbraw/zinc/38/78/72/586387872.db2.gz GFVAHDSWVDWSOE-SKDRFNHKSA-N 0 1 241.294 2.187 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]2C[C@H]21 ZINC000804294463 586387935 /nfs/dbraw/zinc/38/79/35/586387935.db2.gz LTGPJDXLLJXGMA-TVQRCGJNSA-N 0 1 241.294 2.187 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000804382192 586394631 /nfs/dbraw/zinc/39/46/31/586394631.db2.gz XOMRXDDFIKBLKK-KLDSGFLGSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C=C(\C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840077332 586418957 /nfs/dbraw/zinc/41/89/57/586418957.db2.gz HKRLHBGIMPLNLY-CZEYKFRCSA-N 0 1 223.276 2.074 20 0 BEADMN CCc1cc(CNC(=O)C(C)(C)C2CC2)n[nH]1 ZINC000806845293 586419378 /nfs/dbraw/zinc/41/93/78/586419378.db2.gz KNKLEPNXRDWEDB-UHFFFAOYSA-N 0 1 235.331 2.025 20 0 BEADMN Cc1cccc(-c2nc([C@H](N)C(C)C)no2)c1O ZINC000843146105 586445513 /nfs/dbraw/zinc/44/55/13/586445513.db2.gz AUHVAHPIGGWMKQ-SNVBAGLBSA-N 0 1 247.298 2.406 20 0 BEADMN CC(C)[C@H](N)c1noc(/C=C\c2cccnc2)n1 ZINC000843148779 586448305 /nfs/dbraw/zinc/44/83/05/586448305.db2.gz WQLXSWAZQMHSIF-FJOGCWAESA-N 0 1 244.298 2.291 20 0 BEADMN O=C(C=CSc1ccccc1)Nc1c[nH]nn1 ZINC000807922821 586451999 /nfs/dbraw/zinc/45/19/99/586451999.db2.gz KKKNMGDWKFLEAB-SREVYHEPSA-N 0 1 246.295 2.049 20 0 BEADMN CC1(C)CC(=O)N(CN2CCC(C)(C)CC2)C1 ZINC000808152685 586464703 /nfs/dbraw/zinc/46/47/03/586464703.db2.gz PTZHDSCSJLAFJJ-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC1=C(C)CN(CN2C(=O)CCC2(C)C)CC1 ZINC000808183747 586467018 /nfs/dbraw/zinc/46/70/18/586467018.db2.gz MDOWNSDDBFZLDN-UHFFFAOYSA-N 0 1 236.359 2.387 20 0 BEADMN CC(C)=CCON=C(N)CN1CCCC[C@H]1C ZINC000808257636 586468834 /nfs/dbraw/zinc/46/88/34/586468834.db2.gz STFSUZNDTUGVHT-GFCCVEGCSA-N 0 1 239.363 2.325 20 0 BEADMN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cn(C)cn1 ZINC000808389453 586470109 /nfs/dbraw/zinc/47/01/09/586470109.db2.gz RPTAXXBUAADLSE-IAQYHMDHSA-N 0 1 241.338 2.443 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCC(=O)C(C)C ZINC000808709181 586482983 /nfs/dbraw/zinc/48/29/83/586482983.db2.gz QJMVMDDFFPSYCA-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCC(=O)C(C)C ZINC000808728495 586485192 /nfs/dbraw/zinc/48/51/92/586485192.db2.gz RXIBMEAEOKPISG-CYBMUJFWSA-N 0 1 241.375 2.349 20 0 BEADMN CC(C)C(=O)CC[N@@H+](C)CCOC(C)(C)C ZINC000808735042 586485731 /nfs/dbraw/zinc/48/57/31/586485731.db2.gz LSTFJDOYNDHOGI-UHFFFAOYSA-N 0 1 229.364 2.349 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000808753712 586488285 /nfs/dbraw/zinc/48/82/85/586488285.db2.gz AISLQQUGSSSCRF-RISCZKNCSA-N 0 1 239.359 2.101 20 0 BEADMN CC(C)C(=O)CCN1CCO[C@H](C(C)(C)C)C1 ZINC000808754024 586488414 /nfs/dbraw/zinc/48/84/14/586488414.db2.gz HIURTVLWCZNANT-ZDUSSCGKSA-N 0 1 241.375 2.349 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000808778072 586489324 /nfs/dbraw/zinc/48/93/24/586489324.db2.gz LUEZBZVGEWNBCX-ZDUSSCGKSA-N 0 1 239.359 2.452 20 0 BEADMN CCCS(=O)(=O)CCN(CC)C(CC)CC ZINC000808782463 586489564 /nfs/dbraw/zinc/48/95/64/586489564.db2.gz UHRIZOFIQMQUCV-UHFFFAOYSA-N 0 1 249.420 2.322 20 0 BEADMN O=C(CCN1CCCc2occc2C1)C1CC1 ZINC000808797572 586490096 /nfs/dbraw/zinc/49/00/96/586490096.db2.gz YDMVSOIPVVXVIO-UHFFFAOYSA-N 0 1 233.311 2.397 20 0 BEADMN Cc1nc(COC(=O)CC2(C)CCCC2)n[nH]1 ZINC000808992463 586491854 /nfs/dbraw/zinc/49/18/54/586491854.db2.gz ACONVTOQDPWXRZ-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN CN(CN1CCC(C)(C)C1=O)C1CC(C)(C)C1 ZINC000840162998 586501034 /nfs/dbraw/zinc/50/10/34/586501034.db2.gz CUUGMWNVWFQLJZ-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN Cn1nccc1C1=CCN(Cc2ccoc2)CC1 ZINC000809690339 586512562 /nfs/dbraw/zinc/51/25/62/586512562.db2.gz NUUXSCKUBKVVEQ-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN Cc1nonc1CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000809744409 586516711 /nfs/dbraw/zinc/51/67/11/586516711.db2.gz KERWGIMFIGBCJQ-RYUDHWBXSA-N 0 1 235.331 2.436 20 0 BEADMN CCN(CN1CC[C@H](C)C1=O)C1CC(C)(C)C1 ZINC000840185081 586520662 /nfs/dbraw/zinc/52/06/62/586520662.db2.gz WYBQURLJTYWRIV-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)n2)[C@H]2CCCC[C@H]12 ZINC000809935062 586524380 /nfs/dbraw/zinc/52/43/80/586524380.db2.gz HUNCYGNHMXLVBV-BNOWGMLFSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1cnn(C)n1 ZINC000809964047 586527043 /nfs/dbraw/zinc/52/70/43/586527043.db2.gz DIJXASVJNWKZCP-ZDUSSCGKSA-N 0 1 236.363 2.216 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC(F)(F)[C@H](C)C1 ZINC000810046577 586532875 /nfs/dbraw/zinc/53/28/75/586532875.db2.gz WYBCSLSZNASTPE-ZUYFITGHSA-N 0 1 247.285 2.083 20 0 BEADMN COc1cccc(NCc2[nH]ncc2C)c1F ZINC000810152769 586535585 /nfs/dbraw/zinc/53/55/85/586535585.db2.gz BIWLNGPHQUPQHN-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2[nH]c(=O)oc21 ZINC000810161296 586535998 /nfs/dbraw/zinc/53/59/98/586535998.db2.gz HISIDKQTVDWUCH-UHFFFAOYSA-N 0 1 244.254 2.177 20 0 BEADMN Cc1nc([C@H](C)SC2=N[C@H](C)CS2)n[nH]1 ZINC000840202600 586538762 /nfs/dbraw/zinc/53/87/62/586538762.db2.gz GJJNBSIRFIRTBY-RITPCOANSA-N 0 1 242.373 2.399 20 0 BEADMN C/C=C/COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810545640 586539782 /nfs/dbraw/zinc/53/97/82/586539782.db2.gz JGSVCAIINVIPQB-URWSZGRFSA-N 0 1 243.322 2.318 20 0 BEADMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC2CC2)C1 ZINC000810538792 586539896 /nfs/dbraw/zinc/53/98/96/586539896.db2.gz FOAYXBWSSVNMAL-ZDUSSCGKSA-N 0 1 243.322 2.152 20 0 BEADMN CCC/C=C/C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840208104 586545866 /nfs/dbraw/zinc/54/58/66/586545866.db2.gz JFZIUGFQZQRACM-CZEYKFRCSA-N 0 1 223.276 2.074 20 0 BEADMN Cc1nonc1CNC[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000811507268 586560329 /nfs/dbraw/zinc/56/03/29/586560329.db2.gz WQHPQEVUYGVQSK-SKDRFNHKSA-N 0 1 235.331 2.460 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC000840232111 586560886 /nfs/dbraw/zinc/56/08/86/586560886.db2.gz QTNRDHZUXSLEEV-JGVFFNPUSA-N 0 1 225.292 2.009 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)C(C)C)n[nH]1 ZINC000840232112 586561069 /nfs/dbraw/zinc/56/10/69/586561069.db2.gz QTNRDHZUXSLEEV-SFYZADRCSA-N 0 1 225.292 2.009 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000840264881 586583593 /nfs/dbraw/zinc/58/35/93/586583593.db2.gz ZYNPRGXTSUGMQS-CPOMMVLXSA-N 0 1 249.314 2.154 20 0 BEADMN Cc1ncc(CN2CC(C3CC3)C2)s1 ZINC000812776323 586583959 /nfs/dbraw/zinc/58/39/59/586583959.db2.gz UCBORYXHCIUALQ-UHFFFAOYSA-N 0 1 208.330 2.293 20 0 BEADMN O=C(NOC1CCC1)c1ccc(O)c(Cl)c1 ZINC000812795898 586586190 /nfs/dbraw/zinc/58/61/90/586586190.db2.gz NGYUFKIWJJDVKI-UHFFFAOYSA-N 0 1 241.674 2.260 20 0 BEADMN C[C@@H](NCCc1ccccc1)c1cc(CO)on1 ZINC000813323443 586600218 /nfs/dbraw/zinc/60/02/18/586600218.db2.gz PJDSBWLRZXKONJ-LLVKDONJSA-N 0 1 246.310 2.060 20 0 BEADMN CCC/C=C\COC(=O)[C@H](C(C)C)N(C)C ZINC000813907894 586609076 /nfs/dbraw/zinc/60/90/76/586609076.db2.gz UBTVGZWLDRPDKC-LAUAKBEESA-N 0 1 227.348 2.472 20 0 BEADMN CCC[C@@H](C)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000814179426 586616033 /nfs/dbraw/zinc/61/60/33/586616033.db2.gz SZNLGWIVYYQZKM-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CCc1nocc1CNC[C@@H](O)c1ccccc1 ZINC000815111102 586667435 /nfs/dbraw/zinc/66/74/35/586667435.db2.gz HAWDAHNNSPCNKR-CQSZACIVSA-N 0 1 246.310 2.060 20 0 BEADMN Cn1ncc(CNCCCCC2CCCC2)n1 ZINC000815127680 586667916 /nfs/dbraw/zinc/66/79/16/586667916.db2.gz CNMDIFOCOOESMF-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2OCCO3)[C@H]1C ZINC000815163085 586671741 /nfs/dbraw/zinc/67/17/41/586671741.db2.gz OKMVTSJWUBSYLW-MNOVXSKESA-N 0 1 233.311 2.298 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H](C)N1C ZINC000815180217 586672834 /nfs/dbraw/zinc/67/28/34/586672834.db2.gz DIZOKDUSVXAEDC-ZYFJMHCHSA-N 0 1 237.174 2.330 20 0 BEADMN CCc1cc(CNC(=O)CC(C)(C)C2CC2)n[nH]1 ZINC000815582012 586688479 /nfs/dbraw/zinc/68/84/79/586688479.db2.gz VPDMUXMLAMLWSG-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2cocc2C)n[nH]1 ZINC000859781250 589060959 /nfs/dbraw/zinc/06/09/59/589060959.db2.gz BEGRHWYSFCZJCI-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN C[C@@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000816480172 586736260 /nfs/dbraw/zinc/73/62/60/586736260.db2.gz FPARZWRXKWLWFF-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN C[C@@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816508129 586737711 /nfs/dbraw/zinc/73/77/11/586737711.db2.gz CRTGLDAUMBUPBJ-MRVPVSSYSA-N 0 1 213.712 2.058 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cnn(C)c2Cl)C1 ZINC000816515188 586738300 /nfs/dbraw/zinc/73/83/00/586738300.db2.gz RRNZCLRSQYCTGN-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cnn(C)c1Cl ZINC000816520037 586738322 /nfs/dbraw/zinc/73/83/22/586738322.db2.gz DPIZFRPOPHNLIR-DTORHVGOSA-N 0 1 227.739 2.446 20 0 BEADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](C(=O)[O-])C2)C1 ZINC000859809703 589062579 /nfs/dbraw/zinc/06/25/79/589062579.db2.gz XJFFZXWTHBDPMB-DRZSPHRISA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cccc2c1OCO2 ZINC000816649154 586751666 /nfs/dbraw/zinc/75/16/66/586751666.db2.gz VAHFYSHMXFGVJS-VHSXEESVSA-N 0 1 219.284 2.256 20 0 BEADMN COc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1O ZINC000816649220 586751904 /nfs/dbraw/zinc/75/19/04/586751904.db2.gz VXFQOBQKCIJWGU-ZJUUUORDSA-N 0 1 221.300 2.241 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(C)o1 ZINC000859810165 589063195 /nfs/dbraw/zinc/06/31/95/589063195.db2.gz HOMQIQHXUVXSQF-ZDUSSCGKSA-N 0 1 237.299 2.193 20 0 BEADMN Cc1cccn2c(CN3C[C@@H](C)[C@@H]3C)cnc12 ZINC000816649695 586752358 /nfs/dbraw/zinc/75/23/58/586752358.db2.gz HODDNACNQNRICJ-NEPJUHHUSA-N 0 1 229.327 2.483 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1coc(C2CC2)n1 ZINC000816660528 586753532 /nfs/dbraw/zinc/75/35/32/586753532.db2.gz HMWKIMMHZDMCGH-CYBMUJFWSA-N 0 1 249.358 2.078 20 0 BEADMN COC/C=C\C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017457 586778918 /nfs/dbraw/zinc/77/89/18/586778918.db2.gz OREBTAAUMWGUQM-ARJAWSKDSA-N 0 1 245.282 2.012 20 0 BEADMN Cc1ccc2nc(NC(=O)C(F)F)[nH]c2c1 ZINC000817017503 586779144 /nfs/dbraw/zinc/77/91/44/586779144.db2.gz QIOCMDULMOKOMI-UHFFFAOYSA-N 0 1 225.198 2.075 20 0 BEADMN Oc1ccc(F)c(CNC2CC=CC2)c1F ZINC000817408984 586801325 /nfs/dbraw/zinc/80/13/25/586801325.db2.gz UWCJGXRYCPWCPW-UHFFFAOYSA-N 0 1 225.238 2.479 20 0 BEADMN O=C(NOCCC1CC1)[C@@H]1Cc2ccccc21 ZINC000817416786 586803009 /nfs/dbraw/zinc/80/30/09/586803009.db2.gz UQJLRCFBKQSMJD-CYBMUJFWSA-N 0 1 231.295 2.174 20 0 BEADMN C[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H](C)N1 ZINC000818554263 586900403 /nfs/dbraw/zinc/90/04/03/586900403.db2.gz QMBFGQLWVQMMHD-TXEJJXNPSA-N 0 1 236.359 2.086 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)C[C@@H]1CC ZINC000818969867 586918340 /nfs/dbraw/zinc/91/83/40/586918340.db2.gz AKXZDTPZMBBWBD-UKVQZPPCSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)C[C@H]1CC ZINC000818978065 586919345 /nfs/dbraw/zinc/91/93/45/586919345.db2.gz PZYHJBJFPZTXOQ-XZHRJIJLSA-N 0 1 238.375 2.285 20 0 BEADMN CCc1ncc(CNC[C@H](O)c2ccccc2)o1 ZINC000819354045 586955999 /nfs/dbraw/zinc/95/59/99/586955999.db2.gz FQMDBLSBNQQTCX-ZDUSSCGKSA-N 0 1 246.310 2.060 20 0 BEADMN Cc1ncc(CNC[C@H](O)c2ccc(C)cc2)o1 ZINC000819363585 586956990 /nfs/dbraw/zinc/95/69/90/586956990.db2.gz JPOARLIXJFKBCR-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1nc2cc(NC[C@@H](O)C3CC3)ccc2n1C ZINC000819450983 586965484 /nfs/dbraw/zinc/96/54/84/586965484.db2.gz IUKBEVXUGDHXAE-CQSZACIVSA-N 0 1 245.326 2.065 20 0 BEADMN CCCCC[C@@H](C)CC(=O)Nc1c[nH]nn1 ZINC000819489460 586969300 /nfs/dbraw/zinc/96/93/00/586969300.db2.gz XTZWUQOWCBAKIY-SECBINFHSA-N 0 1 224.308 2.350 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cnccc21 ZINC000819895444 587000625 /nfs/dbraw/zinc/00/06/25/587000625.db2.gz ILPZHHDINDKAFX-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1nccc2ccccc21 ZINC000819895357 587001276 /nfs/dbraw/zinc/00/12/76/587001276.db2.gz GMEAZZWCWZCFJG-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1nccc2ccccc21 ZINC000820586351 587056954 /nfs/dbraw/zinc/05/69/54/587056954.db2.gz USWDSSZKRCZBAE-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(F)cc(F)c1O ZINC000820651952 587062022 /nfs/dbraw/zinc/06/20/22/587062022.db2.gz VRXMWUJIOBDFGM-NKWVEPMBSA-N 0 1 241.237 2.151 20 0 BEADMN CC[C@H](N[C@H](C)c1cnnn1C)c1ccncc1 ZINC000820811402 587074407 /nfs/dbraw/zinc/07/44/07/587074407.db2.gz PTIDSPHFOYFPRW-PWSUYJOCSA-N 0 1 245.330 2.012 20 0 BEADMN CCCCC[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000820924369 587081897 /nfs/dbraw/zinc/08/18/97/587081897.db2.gz AVTTVFOPRIQPLJ-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC000840446725 587103903 /nfs/dbraw/zinc/10/39/03/587103903.db2.gz TVORGLOLSXEKTO-RKDXNWHRSA-N 0 1 239.319 2.400 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000821300994 587106075 /nfs/dbraw/zinc/10/60/75/587106075.db2.gz FJTNVLSOBYMDMN-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC/C=C\CNC(=O)c1cccc(F)c1O ZINC000821310322 587106709 /nfs/dbraw/zinc/10/67/09/587106709.db2.gz ZMNMOVCNZABYIL-ARJAWSKDSA-N 0 1 223.247 2.227 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000821518294 587124755 /nfs/dbraw/zinc/12/47/55/587124755.db2.gz VRFFVSBBQRFJIJ-CYBMUJFWSA-N 0 1 248.326 2.473 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000821518297 587124895 /nfs/dbraw/zinc/12/48/95/587124895.db2.gz VRFFVSBBQRFJIJ-ZDUSSCGKSA-N 0 1 248.326 2.473 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000821524242 587125099 /nfs/dbraw/zinc/12/50/99/587125099.db2.gz WNONBQHHAUUVIO-GFCCVEGCSA-N 0 1 234.299 2.083 20 0 BEADMN CCC(F)(F)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000821830566 587141291 /nfs/dbraw/zinc/14/12/91/587141291.db2.gz MOLPUKIKKHRWKV-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CC[C@H](C(=O)OC[C@@]1(C)C[C@H]1F)N(CC)CC ZINC000822131108 587155486 /nfs/dbraw/zinc/15/54/86/587155486.db2.gz SQDNRPGKDOFISM-NQBHXWOUSA-N 0 1 245.338 2.398 20 0 BEADMN CC[C@H](C(=O)OC[C@]1(C)C[C@H]1F)N(CC)CC ZINC000822131111 587155537 /nfs/dbraw/zinc/15/55/37/587155537.db2.gz SQDNRPGKDOFISM-WZRBSPASSA-N 0 1 245.338 2.398 20 0 BEADMN Fc1cc(CN[C@@H]2CC23CC3)c(F)cn1 ZINC000822498018 587171688 /nfs/dbraw/zinc/17/16/88/587171688.db2.gz STCPTOIOXDFQPO-SECBINFHSA-N 0 1 210.227 2.002 20 0 BEADMN C[C@@H](c1noc(-c2coc(CN)c2)n1)C1CC1 ZINC000822875671 587190698 /nfs/dbraw/zinc/19/06/98/587190698.db2.gz PFDFJZKBRXUADV-SSDOTTSWSA-N 0 1 233.271 2.302 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000822903493 587192214 /nfs/dbraw/zinc/19/22/14/587192214.db2.gz KZTZVRGVDWNBIQ-WCBMZHEXSA-N 0 1 238.335 2.117 20 0 BEADMN CCc1cc(CNC(=O)[C@@]2(C)CCC[C@H]2C)n[nH]1 ZINC000823286144 587213497 /nfs/dbraw/zinc/21/34/97/587213497.db2.gz CULHLTIFUQBUSP-YGRLFVJLSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)CCCC(C)C)n[nH]1 ZINC000823286365 587213632 /nfs/dbraw/zinc/21/36/32/587213632.db2.gz LHAREPFXCJXGRE-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CCc1cc(CNC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000823286978 587213883 /nfs/dbraw/zinc/21/38/83/587213883.db2.gz VLAJVKSEWWKFKR-AWEZNQCLSA-N 0 1 247.342 2.335 20 0 BEADMN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1O ZINC000823312264 587215867 /nfs/dbraw/zinc/21/58/67/587215867.db2.gz IADRZVTUXQOYNM-AYMMMOKOSA-N 0 1 235.258 2.060 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(C2CCC2)CC1 ZINC000823326052 587216478 /nfs/dbraw/zinc/21/64/78/587216478.db2.gz RKESUQQJFLNKJI-QXMHVHEDSA-N 0 1 236.359 2.039 20 0 BEADMN CCn1nc(C)c(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000823379462 587218553 /nfs/dbraw/zinc/21/85/53/587218553.db2.gz KYYDIXOUCHHDES-GHMZBOCLSA-N 0 1 236.363 2.369 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H]2C(C)C)n1 ZINC000823399961 587219673 /nfs/dbraw/zinc/21/96/73/587219673.db2.gz UJVYVMPNDLQVJU-ZDUSSCGKSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN(CC(C)C)C(C)C)n1 ZINC000823408435 587219937 /nfs/dbraw/zinc/21/99/37/587219937.db2.gz GUIPCSFHJKVRFY-UHFFFAOYSA-N 0 1 238.379 2.473 20 0 BEADMN CCn1nc(C)c(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000823404020 587220327 /nfs/dbraw/zinc/22/03/27/587220327.db2.gz JLJYCCKFFONNIK-NSHDSACASA-N 0 1 248.374 2.369 20 0 BEADMN CC[C@@H](NC(=O)CN1CCCC1)C1CCCC1 ZINC000823415781 587220495 /nfs/dbraw/zinc/22/04/95/587220495.db2.gz DNLBNEUAFDJNCW-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000823428343 587221046 /nfs/dbraw/zinc/22/10/46/587221046.db2.gz FNASZTNXDAYJOS-JQWIXIFHSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2CCCCC[C@@H]2C)n1 ZINC000823448016 587222562 /nfs/dbraw/zinc/22/25/62/587222562.db2.gz RBSYYCJMRZRZFX-NSHDSACASA-N 0 1 236.363 2.371 20 0 BEADMN Cc1cnc(CNCCOc2cccnc2)s1 ZINC000823871212 587244977 /nfs/dbraw/zinc/24/49/77/587244977.db2.gz DJWXHYGGRGSJMV-UHFFFAOYSA-N 0 1 249.339 2.015 20 0 BEADMN CC(C)=CC[N@H+](C)C1CCN(C(=O)[O-])CC1 ZINC000824038291 587250300 /nfs/dbraw/zinc/25/03/00/587250300.db2.gz BCHSPAITLFZOSP-UHFFFAOYSA-N 0 1 226.320 2.027 20 0 BEADMN CC/C=C(/C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824050763 587251824 /nfs/dbraw/zinc/25/18/24/587251824.db2.gz KCBQNZWWMPJZRJ-TWGQIWQCSA-N 0 1 221.304 2.033 20 0 BEADMN CCn1nc(C)c(CN2CCCC[C@H](C)C2)n1 ZINC000824195429 587259802 /nfs/dbraw/zinc/25/98/02/587259802.db2.gz FCLRLXVDQZKNHY-NSHDSACASA-N 0 1 236.363 2.228 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824238411 587260242 /nfs/dbraw/zinc/26/02/42/587260242.db2.gz GKLGOVCDJBJORF-LLVKDONJSA-N 0 1 228.336 2.107 20 0 BEADMN COCCOc1ccccc1CN1CC2(CC2)C1 ZINC000824533951 587274541 /nfs/dbraw/zinc/27/45/41/587274541.db2.gz UIZVXHRIQWWTQM-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CCN(Cc1cn(C2CCC2)nn1)C(C)C ZINC000824548460 587275202 /nfs/dbraw/zinc/27/52/02/587275202.db2.gz MWPWWEDCFBMVFU-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ccc(F)nc2)C1 ZINC000824583481 587278099 /nfs/dbraw/zinc/27/80/99/587278099.db2.gz MPHFGOHADBCPPL-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@H]2C2CC2)s1 ZINC000824651370 587281111 /nfs/dbraw/zinc/28/11/11/587281111.db2.gz ZERNEWAXFUDPMJ-KWQFWETISA-N 0 1 238.356 2.181 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@@H]1CCC=CO1 ZINC000825005495 587298168 /nfs/dbraw/zinc/29/81/68/587298168.db2.gz MUHRZLSVDCLHQL-NEPJUHHUSA-N 0 1 235.331 2.246 20 0 BEADMN CCc1nc(CN[C@H](C)CCn2cccn2)co1 ZINC000825055905 587300742 /nfs/dbraw/zinc/30/07/42/587300742.db2.gz CCURVBRJRHSHSQ-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN CCc1nc(CNC2CCSCC2)co1 ZINC000825057021 587300945 /nfs/dbraw/zinc/30/09/45/587300945.db2.gz LCOSERAZFUFXRH-UHFFFAOYSA-N 0 1 226.345 2.222 20 0 BEADMN CCc1nc(CNCC2(OC)CCCC2)co1 ZINC000825061678 587301434 /nfs/dbraw/zinc/30/14/34/587301434.db2.gz IQTFVCWHUJPFRM-UHFFFAOYSA-N 0 1 238.331 2.286 20 0 BEADMN CCc1nc(CN[C@H](C)[C@H]2CCCOC2)co1 ZINC000825062025 587301828 /nfs/dbraw/zinc/30/18/28/587301828.db2.gz NJCMHJLNNVUYJH-MNOVXSKESA-N 0 1 238.331 2.142 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000825266744 587311961 /nfs/dbraw/zinc/31/19/61/587311961.db2.gz WNYGBINYSJFLQD-GMRPRLDHSA-N 0 1 246.738 2.107 20 0 BEADMN Cn1ncc(CN2CC[C@H](CC(C)(C)C)C2)n1 ZINC000825321787 587314988 /nfs/dbraw/zinc/31/49/88/587314988.db2.gz NYSDFHHIFSMYBM-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@H](c2ccco2)C1)C(=O)[O-] ZINC000825736192 587335267 /nfs/dbraw/zinc/33/52/67/587335267.db2.gz WDGQJJDZAAGCTC-INJWIWPUSA-N 0 1 235.283 2.100 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@H]1c1cccn1C)C(=O)[O-] ZINC000825741498 587335878 /nfs/dbraw/zinc/33/58/78/587335878.db2.gz OLHPOPVNZRRXQZ-HJTPGIPUSA-N 0 1 248.326 2.193 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccccn1)C(=O)[O-] ZINC000825741596 587335902 /nfs/dbraw/zinc/33/59/02/587335902.db2.gz QFGBHYJGWZMMHR-HJTPGIPUSA-N 0 1 246.310 2.249 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825865288 587342538 /nfs/dbraw/zinc/34/25/38/587342538.db2.gz HUJVYIPFIYHVAP-IJLUTSLNSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CCN(C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825945111 587346935 /nfs/dbraw/zinc/34/69/35/587346935.db2.gz SMTHESWRXUACOM-GFCCVEGCSA-N 0 1 248.326 2.261 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@@H]1CCCN(C)C1 ZINC000826599706 587356116 /nfs/dbraw/zinc/35/61/16/587356116.db2.gz MPDYWKBLLVTFDA-YPMHNXCESA-N 0 1 244.354 2.115 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000826644712 587357709 /nfs/dbraw/zinc/35/77/09/587357709.db2.gz KXWRXADNMGNOJF-AAEUAGOBSA-N 0 1 240.347 2.108 20 0 BEADMN CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826820894 587363418 /nfs/dbraw/zinc/36/34/18/587363418.db2.gz OOWOZKGHTWJISI-NSHDSACASA-N 0 1 228.336 2.251 20 0 BEADMN CCCCC[N@@H+](C)C1CCN(C(=O)[O-])CC1 ZINC000826821544 587363477 /nfs/dbraw/zinc/36/34/77/587363477.db2.gz WBRVGKSXEFETIN-UHFFFAOYSA-N 0 1 228.336 2.251 20 0 BEADMN CCc1oc(CN[C@@H]2C=CCC2)cc1C(=O)OC ZINC000826940714 587366385 /nfs/dbraw/zinc/36/63/85/587366385.db2.gz FKELFEAEFYXHRK-SNVBAGLBSA-N 0 1 249.310 2.437 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC000827424577 587380680 /nfs/dbraw/zinc/38/06/80/587380680.db2.gz GXQNFHOXENHFNY-LLVKDONJSA-N 0 1 235.331 2.025 20 0 BEADMN CC(C)c1ncc(CN(C)C2(CO)CC2)s1 ZINC000827903121 587409091 /nfs/dbraw/zinc/40/90/91/587409091.db2.gz BWFDGNDTOCZOSB-UHFFFAOYSA-N 0 1 240.372 2.223 20 0 BEADMN CN(C[C@H]1CCC[N@H+]1[C@H]1C=CCCC1)C(=O)[O-] ZINC000828217806 587424599 /nfs/dbraw/zinc/42/45/99/587424599.db2.gz AHBFMCQHICOEFM-NWDGAFQWSA-N 0 1 238.331 2.169 20 0 BEADMN CC(C(=O)N1C[C@H](C)N(C)C[C@H]1C)=C1CCC1 ZINC000828248874 587427860 /nfs/dbraw/zinc/42/78/60/587427860.db2.gz QHMFAIJWHNHJJV-WDEREUQCSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C(=O)N1CCN(C)[C@H](C)[C@H]1C)=C1CCC1 ZINC000828338181 587436797 /nfs/dbraw/zinc/43/67/97/587436797.db2.gz JIEGLEWUEDGNQJ-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)c1ccccc1C(=O)NCc1cnc[nH]1 ZINC000828360773 587438489 /nfs/dbraw/zinc/43/84/89/587438489.db2.gz GWNOYRBBNIFYPH-UHFFFAOYSA-N 0 1 243.310 2.463 20 0 BEADMN CC1(C)CCN1C(=O)c1nc[nH]c1C(F)(F)F ZINC000828404734 587440221 /nfs/dbraw/zinc/44/02/21/587440221.db2.gz SNZGCCXKMQQIKJ-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN CC(C)CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829111715 587483454 /nfs/dbraw/zinc/48/34/54/587483454.db2.gz SDAOVVZQXMWPTG-UHFFFAOYSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1nc[nH]c1C(F)(F)F ZINC000829238184 587489990 /nfs/dbraw/zinc/48/99/90/587489990.db2.gz DZGWMSDKIPAXLY-ZCFIWIBFSA-N 0 1 247.220 2.053 20 0 BEADMN CCCCCC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000829357979 587493862 /nfs/dbraw/zinc/49/38/62/587493862.db2.gz WKOTUOGMYBGBFU-NSHDSACASA-N 0 1 217.284 2.065 20 0 BEADMN CCCCC1(C(=O)NC[C@H]2CCN2CC)CC1 ZINC000829449907 587497977 /nfs/dbraw/zinc/49/79/77/587497977.db2.gz IZSLQKQLBJIIQT-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCC(C)=CC(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000829542042 587502794 /nfs/dbraw/zinc/50/27/94/587502794.db2.gz FJKDGXAJDDHDNC-DDXVTDLHSA-N 0 1 221.304 2.333 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000830163630 587539867 /nfs/dbraw/zinc/53/98/67/587539867.db2.gz BGARRJZKSFHBQX-RUYJGKKWSA-N 0 1 245.388 2.481 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000830497098 587554480 /nfs/dbraw/zinc/55/44/80/587554480.db2.gz AZZWMBNBGLPCCT-CYBMUJFWSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000830612071 587560015 /nfs/dbraw/zinc/56/00/15/587560015.db2.gz TUHPENYFFIVDGS-GHMZBOCLSA-N 0 1 249.314 2.238 20 0 BEADMN CN1CCN(C(=O)OC2CCCC2)C(C)(C)C1 ZINC000831001028 587581658 /nfs/dbraw/zinc/58/16/58/587581658.db2.gz NFZKESHFGBPTSO-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)OC1CCCC1 ZINC000831009785 587582461 /nfs/dbraw/zinc/58/24/61/587582461.db2.gz GJYNNCCKLBRJDA-WDEREUQCSA-N 0 1 240.347 2.090 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)OC1CCCC1 ZINC000831020851 587582723 /nfs/dbraw/zinc/58/27/23/587582723.db2.gz WNSLCOBVQDWSCM-WDEREUQCSA-N 0 1 240.347 2.090 20 0 BEADMN COc1cccc2c1CN(CCC(C)=O)CC2 ZINC000831940266 587638036 /nfs/dbraw/zinc/63/80/36/587638036.db2.gz UCBQPNMYDXWUGI-UHFFFAOYSA-N 0 1 233.311 2.032 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000832641584 587672022 /nfs/dbraw/zinc/67/20/22/587672022.db2.gz BFIFKMJXTAAGHW-CYBMUJFWSA-N 0 1 238.331 2.076 20 0 BEADMN O=C([O-])CCC[N@@H+](CCF)Cc1ccccc1 ZINC000833225991 587702788 /nfs/dbraw/zinc/70/27/88/587702788.db2.gz XUYDPPSRUKHLHS-UHFFFAOYSA-N 0 1 239.290 2.323 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)c1cccnc1)C(=O)[O-] ZINC000833381854 587711955 /nfs/dbraw/zinc/71/19/55/587711955.db2.gz FLSOJIOSSOUUHO-SDKXAQGSSA-N 0 1 234.299 2.105 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833484215 587717383 /nfs/dbraw/zinc/71/73/83/587717383.db2.gz VBCFFXGZZRAOSB-UHFFFAOYSA-N 0 1 224.304 2.191 20 0 BEADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833496309 587717804 /nfs/dbraw/zinc/71/78/04/587717804.db2.gz FQMITSQHASAETO-UHFFFAOYSA-N 0 1 222.288 2.086 20 0 BEADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCC1 ZINC000833496683 587717903 /nfs/dbraw/zinc/71/79/03/587717903.db2.gz PWLZLKQKCHQAAW-UHFFFAOYSA-N 0 1 236.315 2.476 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833560564 587720286 /nfs/dbraw/zinc/72/02/86/587720286.db2.gz QFMHIQHGYCUWAU-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)C2CCCC2)O1 ZINC000833577004 587720891 /nfs/dbraw/zinc/72/08/91/587720891.db2.gz NYBAXVLLNJIWAN-LLVKDONJSA-N 0 1 239.315 2.008 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000833579220 587722093 /nfs/dbraw/zinc/72/20/93/587722093.db2.gz YZGCKUFQWAJIKS-JTQLQIEISA-N 0 1 241.331 2.112 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833592352 587722204 /nfs/dbraw/zinc/72/22/04/587722204.db2.gz QINORRJOQKVNNM-AOOOYVTPSA-N 0 1 236.315 2.191 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833601366 587723494 /nfs/dbraw/zinc/72/34/94/587723494.db2.gz AWGICVUBSRQIRE-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833614410 587724155 /nfs/dbraw/zinc/72/41/55/587724155.db2.gz MCGHEMQSZFCWRM-SNVBAGLBSA-N 0 1 236.315 2.335 20 0 BEADMN COCCCCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000833724509 587729649 /nfs/dbraw/zinc/72/96/49/587729649.db2.gz FMPXMUNCWAIZET-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833793139 587732261 /nfs/dbraw/zinc/73/22/61/587732261.db2.gz AGWAPNOGAFRHCN-MNOVXSKESA-N 0 1 228.336 2.153 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833795109 587732515 /nfs/dbraw/zinc/73/25/15/587732515.db2.gz UJHLGZYDFDUCDD-GHMZBOCLSA-N 0 1 228.336 2.011 20 0 BEADMN CCCCC[N@H+]1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833852286 587735856 /nfs/dbraw/zinc/73/58/56/587735856.db2.gz BFNGYABIVPNSBV-WDEREUQCSA-N 0 1 228.336 2.155 20 0 BEADMN O=C([O-])N1CC[C@@H]([N@@H+](CCC2CC2)C2CC2)C1 ZINC000834081084 587744870 /nfs/dbraw/zinc/74/48/70/587744870.db2.gz DGAXTQGHIVTXDR-GFCCVEGCSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])N[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000834182165 587748210 /nfs/dbraw/zinc/74/82/10/587748210.db2.gz LOVLQWVBCZRFEN-NEPJUHHUSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cn1 ZINC000834258642 587750298 /nfs/dbraw/zinc/75/02/98/587750298.db2.gz ISJWPWYODSPDKO-WDEREUQCSA-N 0 1 247.298 2.156 20 0 BEADMN CCc1nc(CN[C@H](C)CCCOC)co1 ZINC000834900136 587769989 /nfs/dbraw/zinc/76/99/89/587769989.db2.gz MILOSDMIFPIZLD-SNVBAGLBSA-N 0 1 226.320 2.142 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCCCCCC1 ZINC000836925213 587843307 /nfs/dbraw/zinc/84/33/07/587843307.db2.gz ZKQZOBCQVBOZRZ-UHFFFAOYSA-N 0 1 221.304 2.206 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837006083 587847122 /nfs/dbraw/zinc/84/71/22/587847122.db2.gz ZMLJABRVIOUTPP-FIKOHSHLSA-N 0 1 238.375 2.285 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1O ZINC000837266295 587862442 /nfs/dbraw/zinc/86/24/42/587862442.db2.gz MMKZIVWBHNBZED-LURJTMIESA-N 0 1 245.225 2.034 20 0 BEADMN CC/C(C)=C/C(=O)NCCCc1cn[nH]c1C ZINC000837284404 587863727 /nfs/dbraw/zinc/86/37/27/587863727.db2.gz GKAHAXNANJAXFO-CSKARUKUSA-N 0 1 235.331 2.123 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC000837413250 587871076 /nfs/dbraw/zinc/87/10/76/587871076.db2.gz RNGNGXHAKOSXPD-VIFPVBQESA-N 0 1 235.331 2.025 20 0 BEADMN C=COc1ccc(NC(=O)[C@@H](CC)N(C)C)cc1 ZINC000837761107 587894287 /nfs/dbraw/zinc/89/42/87/587894287.db2.gz KCQMWPKEYCNUAP-CYBMUJFWSA-N 0 1 248.326 2.488 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H](C)c1ccn(C)n1 ZINC000840714324 587917648 /nfs/dbraw/zinc/91/76/48/587917648.db2.gz ZBHFPBZXTZLWSH-MNOVXSKESA-N 0 1 233.315 2.295 20 0 BEADMN C[C@@H](NCCOC1CCC1)c1cc2n(n1)CCC2 ZINC000840737156 587919176 /nfs/dbraw/zinc/91/91/76/587919176.db2.gz KPKJXZAVXYAWOI-LLVKDONJSA-N 0 1 249.358 2.049 20 0 BEADMN CC1(C)CN(C[C@H](O)C2CC2)[C@@H]1c1cccnc1 ZINC000840766290 587920291 /nfs/dbraw/zinc/92/02/91/587920291.db2.gz LRIIQNIAMNLXRT-UONOGXRCSA-N 0 1 246.354 2.235 20 0 BEADMN CC1(CNc2nccn2C2CC2)CCOCC1 ZINC000840887027 587927874 /nfs/dbraw/zinc/92/78/74/587927874.db2.gz SRCMNXNCGJYUHI-UHFFFAOYSA-N 0 1 235.331 2.447 20 0 BEADMN CCc1cc(CNCc2ccoc2C)[nH]n1 ZINC000840897254 587928987 /nfs/dbraw/zinc/92/89/87/587928987.db2.gz CIOMMOJQSXNVNU-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN C[C@H](CCC1CC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996432 587933618 /nfs/dbraw/zinc/93/36/18/587933618.db2.gz PJQLIIYBGZDAQA-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cn1cc(Cl)cn1 ZINC000841687807 587972222 /nfs/dbraw/zinc/97/22/22/587972222.db2.gz AKURARHNPGLGRQ-KXUCPTDWSA-N 0 1 227.739 2.470 20 0 BEADMN C[C@H]1CCCCCN1CN1CC(F)(F)CC1=O ZINC000841680706 587972238 /nfs/dbraw/zinc/97/22/38/587972238.db2.gz YAAAAKAJFGGKTE-JTQLQIEISA-N 0 1 246.301 2.076 20 0 BEADMN CCC(N)=NOC[C@H]1CCC(F)(F)C1 ZINC000842023380 587989523 /nfs/dbraw/zinc/98/95/23/587989523.db2.gz FTOLCOYQWOODJT-ZETCQYMHSA-N 0 1 206.236 2.330 20 0 BEADMN CCc1nc(CNCC2(O)CCCCC2)co1 ZINC000842158523 588004915 /nfs/dbraw/zinc/00/49/15/588004915.db2.gz YFFHTBSWWIJVCP-UHFFFAOYSA-N 0 1 238.331 2.022 20 0 BEADMN CC(C)[C@H](F)c1nc(C2(N)CCC2)no1 ZINC000842621053 588046357 /nfs/dbraw/zinc/04/63/57/588046357.db2.gz WXHKUQSYLHCHRB-ZETCQYMHSA-N 0 1 213.256 2.074 20 0 BEADMN CCCC(N)=NOCCC[C@@H]1CCOC1 ZINC000842648037 588048080 /nfs/dbraw/zinc/04/80/80/588048080.db2.gz MPTHAEGVZNRCBI-SNVBAGLBSA-N 0 1 214.309 2.102 20 0 BEADMN C[C@H]1C[C@H](NCc2cc(F)cnc2Cl)CO1 ZINC000842708763 588055003 /nfs/dbraw/zinc/05/50/03/588055003.db2.gz FKBLOXWDWBZUPT-XVKPBYJWSA-N 0 1 244.697 2.141 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)OCCc2c[nH]nn2)CC1 ZINC000842723120 588055854 /nfs/dbraw/zinc/05/58/54/588055854.db2.gz XMQVLELTLAAQEV-NSHDSACASA-N 0 1 249.314 2.027 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)OCCc2cnn[nH]2)CC1 ZINC000842723120 588055856 /nfs/dbraw/zinc/05/58/56/588055856.db2.gz XMQVLELTLAAQEV-NSHDSACASA-N 0 1 249.314 2.027 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1nc(C)cs1 ZINC000842755512 588059994 /nfs/dbraw/zinc/05/99/94/588059994.db2.gz FWVZWOAYKCHOES-KOLCDFICSA-N 0 1 242.388 2.338 20 0 BEADMN O=C(OCc1c[nH]nn1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000842791484 588064066 /nfs/dbraw/zinc/06/40/66/588064066.db2.gz CZLOHMIYHBTKAZ-NWDGAFQWSA-N 0 1 249.314 2.064 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H](C)c2ccco2)n1 ZINC000843149409 588087242 /nfs/dbraw/zinc/08/72/42/588087242.db2.gz MPCMOHFWQLAUAS-WCBMZHEXSA-N 0 1 235.287 2.470 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ccsn2)no1 ZINC000843237982 588095497 /nfs/dbraw/zinc/09/54/97/588095497.db2.gz JWHSCMWXJXRZRG-ZETCQYMHSA-N 0 1 238.316 2.254 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccnc(Cl)c2F)CO1 ZINC000843431666 588109201 /nfs/dbraw/zinc/10/92/01/588109201.db2.gz BEQPJHULPRVJDH-IONNQARKSA-N 0 1 244.697 2.141 20 0 BEADMN CN(Cc1cnn(C)c1Cl)C(C)(C)C ZINC000843432833 588109300 /nfs/dbraw/zinc/10/93/00/588109300.db2.gz JIAKFPQDPSEGFY-UHFFFAOYSA-N 0 1 215.728 2.304 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCNC[C@@H]1CCC ZINC000843453930 588111670 /nfs/dbraw/zinc/11/16/70/588111670.db2.gz MSNSSNMRFBXUMY-UKVQZPPCSA-N 0 1 238.375 2.333 20 0 BEADMN Cc1ccc2nc(NC(=O)C3(F)CC3)[nH]c2c1 ZINC000843597828 588127892 /nfs/dbraw/zinc/12/78/92/588127892.db2.gz OOCMMAOSRDNIBM-UHFFFAOYSA-N 0 1 233.246 2.312 20 0 BEADMN CCCONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000844085719 588163964 /nfs/dbraw/zinc/16/39/64/588163964.db2.gz KCXRZXIHDRTHRY-GFCCVEGCSA-N 0 1 248.326 2.068 20 0 BEADMN CCCONC(=O)[C@@]1(C)CCc2ccccc21 ZINC000844089096 588166346 /nfs/dbraw/zinc/16/63/46/588166346.db2.gz JYUPKWABGAEEBS-AWEZNQCLSA-N 0 1 233.311 2.348 20 0 BEADMN Cc1ncc(CNCc2cccnc2C)s1 ZINC000105448430 588173890 /nfs/dbraw/zinc/17/38/90/588173890.db2.gz PDQBCQHIIMKEGA-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CC/C=C(\F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000867352923 588185625 /nfs/dbraw/zinc/18/56/25/588185625.db2.gz TZEKUYATMYIJCZ-YHYXMXQVSA-N 0 1 237.278 2.350 20 0 BEADMN CC[C@H](NCC1OCCO1)c1ccccc1F ZINC000844393349 588189509 /nfs/dbraw/zinc/18/95/09/588189509.db2.gz KPXLUBHYZVEFLX-LBPRGKRZSA-N 0 1 239.290 2.239 20 0 BEADMN CCn1cc(C[N@@H+](CCC(C)=O)C(C)C)cn1 ZINC000844416742 588191358 /nfs/dbraw/zinc/19/13/58/588191358.db2.gz FNRCVAKMXOLUDG-UHFFFAOYSA-N 0 1 237.347 2.093 20 0 BEADMN CCn1cc(CN(CCC(C)=O)C(C)C)cn1 ZINC000844416742 588191360 /nfs/dbraw/zinc/19/13/60/588191360.db2.gz FNRCVAKMXOLUDG-UHFFFAOYSA-N 0 1 237.347 2.093 20 0 BEADMN FC1(F)C[C@@]12CCCN(Cc1ccno1)C2 ZINC000844440325 588193578 /nfs/dbraw/zinc/19/35/78/588193578.db2.gz TZFYKUPVPCFRDP-SNVBAGLBSA-N 0 1 228.242 2.296 20 0 BEADMN Cc1cncc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844457439 588196494 /nfs/dbraw/zinc/19/64/94/588196494.db2.gz JYBKKPGFKZOMRQ-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN Cc1ccnc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844459754 588196899 /nfs/dbraw/zinc/19/68/99/588196899.db2.gz URGLCBYYLXBOCT-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN CC1CCN(CN2C(=O)CC23CCCC3)CC1 ZINC000844680372 588213161 /nfs/dbraw/zinc/21/31/61/588213161.db2.gz ZHFSYPUHLLUHHQ-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CN(CN1C(=O)CC12CCCC2)CC(C)(C)C ZINC000844694837 588214053 /nfs/dbraw/zinc/21/40/53/588214053.db2.gz OGZLHPXKSUPVHS-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN O=C1CC2(CCCC2)N1CN1CCCC2(CC2)C1 ZINC000844701995 588214533 /nfs/dbraw/zinc/21/45/33/588214533.db2.gz QHPUZSQDQOERER-UHFFFAOYSA-N 0 1 248.370 2.365 20 0 BEADMN CC(C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845737452 588242933 /nfs/dbraw/zinc/24/29/33/588242933.db2.gz HOVAZABYOYVEAJ-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845738439 588243185 /nfs/dbraw/zinc/24/31/85/588243185.db2.gz NXOOEPBTSMUTNT-VWYCJHECSA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)(C)N1CC[C@H]1COC(=O)c1ccco1 ZINC000845740756 588243443 /nfs/dbraw/zinc/24/34/43/588243443.db2.gz SQLWLTLSEHLUEL-JTQLQIEISA-N 0 1 237.299 2.309 20 0 BEADMN FC1(F)[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000846111056 588257261 /nfs/dbraw/zinc/25/72/61/588257261.db2.gz MKCBODZVCDRYAX-DTORHVGOSA-N 0 1 215.268 2.445 20 0 BEADMN FC1(F)[C@H]2CN(Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC000846113346 588257616 /nfs/dbraw/zinc/25/76/16/588257616.db2.gz XCMVFUHDGILRKX-PHIMTYICSA-N 0 1 249.264 2.260 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2c(F)cccc2C1 ZINC000846246819 588262692 /nfs/dbraw/zinc/26/26/92/588262692.db2.gz SXZYTUJXEQMRBU-LBPRGKRZSA-N 0 1 237.274 2.047 20 0 BEADMN CC(C)C[N@H+](C/C=C\Cl)CCC(=O)[O-] ZINC000846265060 588263413 /nfs/dbraw/zinc/26/34/13/588263413.db2.gz GQXQGANLFBIOOP-HYXAFXHYSA-N 0 1 219.712 2.172 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C\Cl)C1CCCCC1 ZINC000846271722 588263423 /nfs/dbraw/zinc/26/34/23/588263423.db2.gz AIBMMYSIBXFWKO-DAXSKMNVSA-N 0 1 231.723 2.458 20 0 BEADMN C[C@@]1(CCNC(=O)C(F)(F)F)C[C@]1(F)Cl ZINC000846402787 588265335 /nfs/dbraw/zinc/26/53/35/588265335.db2.gz DXAWGRZLAMVFGZ-RNFRBKRXSA-N 0 1 247.619 2.370 20 0 BEADMN C[C@H]1CCC[N@H+]1CC1(Br)CC1 ZINC000846807791 588290208 /nfs/dbraw/zinc/29/02/08/588290208.db2.gz DDDQFDKIFHGWRJ-QMMMGPOBSA-N 0 1 218.138 2.398 20 0 BEADMN C[C@@H]1COCCCN1CC1(Br)CC1 ZINC000846831644 588291646 /nfs/dbraw/zinc/29/16/46/588291646.db2.gz KJPIQIAEENCIRV-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cnsn1 ZINC000846841167 588292550 /nfs/dbraw/zinc/29/25/50/588292550.db2.gz AIHXPRNANSBCRP-JZYVYDRUSA-N 0 1 225.361 2.452 20 0 BEADMN CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847311882 588310580 /nfs/dbraw/zinc/31/05/80/588310580.db2.gz CVIHFAUCINEYCT-NSHDSACASA-N 0 1 237.347 2.285 20 0 BEADMN CS/C=C/C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011757 588347351 /nfs/dbraw/zinc/34/73/51/588347351.db2.gz AMXFUQYESQZYKQ-SNAWJCMRSA-N 0 1 238.312 2.207 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)[C@@H]1CC12CC2 ZINC000848009818 588347637 /nfs/dbraw/zinc/34/76/37/588347637.db2.gz JKZMNVTYEATIMD-JTQLQIEISA-N 0 1 232.283 2.130 20 0 BEADMN O=C(CC1CC1)OCc1cc(C2CC2)[nH]n1 ZINC000848015352 588347913 /nfs/dbraw/zinc/34/79/13/588347913.db2.gz ZIMVTGYBRLGCNX-UHFFFAOYSA-N 0 1 220.272 2.130 20 0 BEADMN O=C(CCc1nc[nH]n1)OC1(C2CCCC2)CC1 ZINC000848017641 588347953 /nfs/dbraw/zinc/34/79/53/588347953.db2.gz BJFIWWLIQHOAAK-UHFFFAOYSA-N 0 1 249.314 2.003 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncc[nH]1)[C@@H]1CCCCO1 ZINC000848568127 588397956 /nfs/dbraw/zinc/39/79/56/588397956.db2.gz YZPGCLPDWUELSC-SRVKXCTJSA-N 0 1 237.347 2.408 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(O)c(C)c2)no1 ZINC000848627676 588402655 /nfs/dbraw/zinc/40/26/55/588402655.db2.gz OVDCREPKTDPDAE-QMMMGPOBSA-N 0 1 233.271 2.031 20 0 BEADMN Cn1c(CN2CCCCCC2)cnc1Cl ZINC000848877480 588416306 /nfs/dbraw/zinc/41/63/06/588416306.db2.gz RYFDOPDZOOWKIY-UHFFFAOYSA-N 0 1 227.739 2.450 20 0 BEADMN CCN(CC(N)=O)Cc1ccccc1C(C)C ZINC000848905625 588418817 /nfs/dbraw/zinc/41/88/17/588418817.db2.gz KNCHVJPJXCNNKH-UHFFFAOYSA-N 0 1 234.343 2.117 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(C2CCCC2)o1 ZINC000849163691 588458769 /nfs/dbraw/zinc/45/87/69/588458769.db2.gz QZPQGWZUXMGAOC-UHFFFAOYSA-N 0 1 247.302 2.371 20 0 BEADMN CCC[C@H](C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849694878 588486984 /nfs/dbraw/zinc/48/69/84/588486984.db2.gz OBAJOJAJIGJFSK-DTWKUNHWSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C(CC)CC)n[nH]1 ZINC000849695139 588487203 /nfs/dbraw/zinc/48/72/03/588487203.db2.gz VROSIUFTRBWTGT-QMMMGPOBSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)/C=C(/C)C2CC2)n[nH]1 ZINC000849704252 588488063 /nfs/dbraw/zinc/48/80/63/588488063.db2.gz FTXKPYFVTUTPKB-UFGYOYAJSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC000849745997 588493081 /nfs/dbraw/zinc/49/30/81/588493081.db2.gz CSAPNEKTYGLACP-SFYZADRCSA-N 0 1 237.303 2.017 20 0 BEADMN C[C@@H](NCc1cnn2c1CCC2)c1ccc[nH]1 ZINC000850228218 588530672 /nfs/dbraw/zinc/53/06/72/588530672.db2.gz ADNVFDNHTDWCNF-SNVBAGLBSA-N 0 1 230.315 2.008 20 0 BEADMN C1=C[C@H](NCc2nc3c(s2)CCC3)CC1 ZINC000850358880 588539796 /nfs/dbraw/zinc/53/97/96/588539796.db2.gz MOVKSVCMBKSVIB-VIFPVBQESA-N 0 1 220.341 2.440 20 0 BEADMN CCc1nn(C)c(Cl)c1CN[C@H]1C=CCC1 ZINC000850359096 588539858 /nfs/dbraw/zinc/53/98/58/588539858.db2.gz WJUUTYXGJCZUJB-VIFPVBQESA-N 0 1 239.750 2.444 20 0 BEADMN Fc1cnccc1CN[C@@H]1COC2(CCC2)C1 ZINC000850370351 588541022 /nfs/dbraw/zinc/54/10/22/588541022.db2.gz OHAWDILTFRFFLC-NSHDSACASA-N 0 1 236.290 2.022 20 0 BEADMN CC[C@@H](O)CNCc1ccnc(Cl)c1Cl ZINC000850373839 588541661 /nfs/dbraw/zinc/54/16/61/588541661.db2.gz SVEVODOGMHOQKX-MRVPVSSYSA-N 0 1 249.141 2.249 20 0 BEADMN CCc1nocc1CNCC1SCCS1 ZINC000850402118 588544311 /nfs/dbraw/zinc/54/43/11/588544311.db2.gz OXYZRVZGCDLIQP-UHFFFAOYSA-N 0 1 244.385 2.133 20 0 BEADMN CCc1nc(CN[C@H](C)C2(OC)CCC2)co1 ZINC000850472058 588549127 /nfs/dbraw/zinc/54/91/27/588549127.db2.gz DPXFXZWHQPHPCK-SNVBAGLBSA-N 0 1 238.331 2.284 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2C=CCC2)nn1C ZINC000850506516 588553407 /nfs/dbraw/zinc/55/34/07/588553407.db2.gz FIGIAUVUKZGXDF-GHMZBOCLSA-N 0 1 205.305 2.098 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@@H]2C)c1F ZINC000850536116 588558887 /nfs/dbraw/zinc/55/88/87/588558887.db2.gz CMPITSUYCJJERK-IUCAKERBSA-N 0 1 224.279 2.117 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000850560748 588560894 /nfs/dbraw/zinc/56/08/94/588560894.db2.gz GHFXMEJHWRXXFQ-CMPLNLGQSA-N 0 1 237.347 2.266 20 0 BEADMN O=C(OCc1c[nH]nn1)c1ccc(C2CC2)cc1 ZINC000851018248 588584584 /nfs/dbraw/zinc/58/45/84/588584584.db2.gz NESPGONDVJIDRW-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN CCC(F)(F)COC(=O)[C@H](C(C)C)N(C)C ZINC000851492609 588607919 /nfs/dbraw/zinc/60/79/19/588607919.db2.gz NGYWLQCGSJXSRH-VIFPVBQESA-N 0 1 237.290 2.161 20 0 BEADMN CCCC[C@](C)(F)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000851632025 588611893 /nfs/dbraw/zinc/61/18/93/588611893.db2.gz JEJAPFYWKHIXBA-GVXVVHGQSA-N 0 1 244.354 2.114 20 0 BEADMN CCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000851707606 588615453 /nfs/dbraw/zinc/61/54/53/588615453.db2.gz GWZPPSIBNUAIJA-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN COc1ccccc1CN(C)CCOC(F)F ZINC000851719143 588616569 /nfs/dbraw/zinc/61/65/69/588616569.db2.gz VTSUBLZXWZELCK-UHFFFAOYSA-N 0 1 245.269 2.366 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2COC(C)(C)O2)o1 ZINC000851718612 588616781 /nfs/dbraw/zinc/61/67/81/588616781.db2.gz MSFOQFCITHMUQR-LBPRGKRZSA-N 0 1 239.315 2.171 20 0 BEADMN CCCCCN(Cc1cnon1)C(C)C ZINC000851725492 588617831 /nfs/dbraw/zinc/61/78/31/588617831.db2.gz ATMJEZFZUOJFOB-UHFFFAOYSA-N 0 1 211.309 2.470 20 0 BEADMN C[C@@H]1CCN(Cc2cnon2)[C@@H]2CCCC[C@H]12 ZINC000851726826 588618050 /nfs/dbraw/zinc/61/80/50/588618050.db2.gz XKOKMPVNXYUCML-RAIGVLPGSA-N 0 1 235.331 2.470 20 0 BEADMN Cc1ccccc1[C@@H]1CCN(Cc2cnon2)C1 ZINC000851745906 588621751 /nfs/dbraw/zinc/62/17/51/588621751.db2.gz OBKOMNBOYHYSSU-GFCCVEGCSA-N 0 1 243.310 2.368 20 0 BEADMN CCCCN(CCOC)Cc1cccc(F)n1 ZINC000851766148 588624951 /nfs/dbraw/zinc/62/49/51/588624951.db2.gz VELXTSWLGKKNCG-UHFFFAOYSA-N 0 1 240.322 2.469 20 0 BEADMN COC[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851780864 588627534 /nfs/dbraw/zinc/62/75/34/588627534.db2.gz LXWSNLIBBYDUDC-MRVPVSSYSA-N 0 1 224.131 2.274 20 0 BEADMN Cn1cnc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000851805644 588631413 /nfs/dbraw/zinc/63/14/13/588631413.db2.gz DNIHJDTVHACSHL-HNNXBMFYSA-N 0 1 241.338 2.237 20 0 BEADMN CN(CCc1ccccn1)Cc1cccc(F)n1 ZINC000851872085 588637821 /nfs/dbraw/zinc/63/78/21/588637821.db2.gz ZITJVFMEOQBRKK-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN FC(F)OCCN1CC[C@@H](C(F)(F)F)C1 ZINC000851876657 588638281 /nfs/dbraw/zinc/63/82/81/588638281.db2.gz ZNAPVHUQJAVUDZ-ZCFIWIBFSA-N 0 1 233.180 2.110 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C[C@H]1F ZINC000851909375 588642308 /nfs/dbraw/zinc/64/23/08/588642308.db2.gz CZVPZUBSYMNDHX-GRYCIOLGSA-N 0 1 245.338 2.208 20 0 BEADMN CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](F)C2)C1 ZINC000851909373 588642332 /nfs/dbraw/zinc/64/23/32/588642332.db2.gz CZIAVYCRUYJUHV-WRWGMCAJSA-N 0 1 215.312 2.234 20 0 BEADMN COC[C@@H](NCCOC(F)F)c1ccc(C)o1 ZINC000851925111 588644169 /nfs/dbraw/zinc/64/41/69/588644169.db2.gz SQZZZMHMQUESSS-SECBINFHSA-N 0 1 249.257 2.104 20 0 BEADMN Cc1ccc([C@@H]2CCN(Cc3cnon3)C2)cc1 ZINC000851922976 588644233 /nfs/dbraw/zinc/64/42/33/588644233.db2.gz FUXRXQYWYKCYSF-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1cnc([C@@H](C)NCCOC(F)F)s1 ZINC000851932345 588645027 /nfs/dbraw/zinc/64/50/27/588645027.db2.gz LVPHOLYPYRPEDW-SSDOTTSWSA-N 0 1 236.287 2.341 20 0 BEADMN CO[C@@H]1CN(Cc2cccc(F)n2)CC[C@H]1C ZINC000851971743 588649754 /nfs/dbraw/zinc/64/97/54/588649754.db2.gz SLVKKTJJHUJQPR-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN FC1(F)C[C@H]1OCCN1CCC(F)(F)CC1 ZINC000852002908 588654428 /nfs/dbraw/zinc/65/44/28/588654428.db2.gz XYMHPHZLTBPCTB-MRVPVSSYSA-N 0 1 241.228 2.142 20 0 BEADMN O=C1CC[C@H](CN2CCC=C(c3ccco3)C2)O1 ZINC000852038056 588656704 /nfs/dbraw/zinc/65/67/04/588656704.db2.gz HRWDDWOUVLYLAF-GFCCVEGCSA-N 0 1 247.294 2.074 20 0 BEADMN CC1(C)CN(CCOC(F)F)[C@@H]1[C@H]1CCCO1 ZINC000852055736 588658076 /nfs/dbraw/zinc/65/80/76/588658076.db2.gz WKVAJKTXMQJVGS-NXEZZACHSA-N 0 1 249.301 2.115 20 0 BEADMN CCN(Cc1cccc(F)n1)C[C@H](C)OC ZINC000852073713 588659755 /nfs/dbraw/zinc/65/97/55/588659755.db2.gz XMUAVYIPGKVFBI-JTQLQIEISA-N 0 1 226.295 2.078 20 0 BEADMN CN(CCC1CCC1)[C@H]1CC(C)(C)OC1=O ZINC000852078757 588660158 /nfs/dbraw/zinc/66/01/58/588660158.db2.gz HGCUFRZHZWPTJF-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000852111212 588664370 /nfs/dbraw/zinc/66/43/70/588664370.db2.gz CLVKVEDPPOAXGB-LBPRGKRZSA-N 0 1 240.347 2.115 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2cnon2)C1 ZINC000852146764 588667084 /nfs/dbraw/zinc/66/70/84/588667084.db2.gz UEJBXPMPBXWWKG-VHSXEESVSA-N 0 1 209.293 2.080 20 0 BEADMN CC(C)N(Cc1cnon1)C1CC(C)(C)C1 ZINC000852149392 588667611 /nfs/dbraw/zinc/66/76/11/588667611.db2.gz PMYUBNQFZIZXNZ-UHFFFAOYSA-N 0 1 223.320 2.469 20 0 BEADMN C[C@H]1[C@H](CO)CCCN1CC=C(Cl)Cl ZINC000852178465 588670163 /nfs/dbraw/zinc/67/01/63/588670163.db2.gz VEKQNGMCUWGNCQ-IUCAKERBSA-N 0 1 238.158 2.398 20 0 BEADMN c1nonc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000852208378 588671565 /nfs/dbraw/zinc/67/15/65/588671565.db2.gz GITDBSQAZBNNGU-GFCCVEGCSA-N 0 1 221.304 2.224 20 0 BEADMN c1nonc1CN1CCCC[C@@H]1C1CCC1 ZINC000852208378 588671566 /nfs/dbraw/zinc/67/15/66/588671566.db2.gz GITDBSQAZBNNGU-GFCCVEGCSA-N 0 1 221.304 2.224 20 0 BEADMN C[C@H]1CN(CCOC(F)F)CC2(CCCC2)O1 ZINC000852208725 588672280 /nfs/dbraw/zinc/67/22/80/588672280.db2.gz KMCXSBNLWBMDMR-JTQLQIEISA-N 0 1 249.301 2.259 20 0 BEADMN Cc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n(C)n1 ZINC000852219440 588673676 /nfs/dbraw/zinc/67/36/76/588673676.db2.gz NZGDRXDLQPWVOG-AAEUAGOBSA-N 0 1 219.332 2.103 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)n(C)n1 ZINC000852219440 588673677 /nfs/dbraw/zinc/67/36/77/588673677.db2.gz NZGDRXDLQPWVOG-AAEUAGOBSA-N 0 1 219.332 2.103 20 0 BEADMN FC(F)OCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852218878 588673747 /nfs/dbraw/zinc/67/37/47/588673747.db2.gz FCQNXYAMHXEINZ-IUCAKERBSA-N 0 1 205.248 2.100 20 0 BEADMN O=C1O[C@H](C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC12CCC2 ZINC000852219335 588673769 /nfs/dbraw/zinc/67/37/69/588673769.db2.gz MTROKMGJOBFCBB-AVGNSLFASA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccnc(Cl)c1 ZINC000852284314 588675683 /nfs/dbraw/zinc/67/56/83/588675683.db2.gz KBHFMXOTXKJEFG-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN O=C1OCC[C@H]1[N@H+]1CCCC2(CCCC2)CC1 ZINC000852354992 588679595 /nfs/dbraw/zinc/67/95/95/588679595.db2.gz YYXIPRDUZGSFQR-GFCCVEGCSA-N 0 1 237.343 2.348 20 0 BEADMN O=C1OCC[C@H]1N1CCCC2(CCCC2)CC1 ZINC000852354992 588679596 /nfs/dbraw/zinc/67/95/96/588679596.db2.gz YYXIPRDUZGSFQR-GFCCVEGCSA-N 0 1 237.343 2.348 20 0 BEADMN COCCN(CCF)C1CC(OC(C)(C)C)C1 ZINC000852479689 588683544 /nfs/dbraw/zinc/68/35/44/588683544.db2.gz JOVFJLSBAMBQQG-UHFFFAOYSA-N 0 1 247.354 2.250 20 0 BEADMN COCCN(CCF)CCc1cccs1 ZINC000852483762 588684525 /nfs/dbraw/zinc/68/45/25/588684525.db2.gz QXROMMMBMGCXNA-UHFFFAOYSA-N 0 1 231.336 2.209 20 0 BEADMN COC(=O)[C@@H]1CCN(CCF)[C@@H]2CCCC[C@H]12 ZINC000852496246 588685797 /nfs/dbraw/zinc/68/57/97/588685797.db2.gz NGZLVCPLXHVPJW-IJLUTSLNSA-N 0 1 243.322 2.010 20 0 BEADMN CC[C@@H]1COC[C@@H]1NCc1cc(C2CC2)no1 ZINC000852554833 588689704 /nfs/dbraw/zinc/68/97/04/588689704.db2.gz DKIHLOLNZQTTFB-RNCFNFMXSA-N 0 1 236.315 2.067 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC000852559564 588690535 /nfs/dbraw/zinc/69/05/35/588690535.db2.gz JUIVLSDCGFXTKH-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000852559564 588690536 /nfs/dbraw/zinc/69/05/36/588690536.db2.gz JUIVLSDCGFXTKH-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000852558905 588690611 /nfs/dbraw/zinc/69/06/11/588690611.db2.gz FKNAMFNWBMTPQN-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H]1CCN(C/C=C\Cl)C[C@H](C)O1 ZINC000852588665 588692532 /nfs/dbraw/zinc/69/25/32/588692532.db2.gz JDUUUBGRXIBEKT-OSCQXZJKSA-N 0 1 203.713 2.238 20 0 BEADMN Fc1cccc(CN2CC[C@H]3C[C@H]3C2)n1 ZINC000852634402 588693339 /nfs/dbraw/zinc/69/33/39/588693339.db2.gz MZYYCXNIETWHNA-UWVGGRQHSA-N 0 1 206.264 2.063 20 0 BEADMN C[C@@H](NCc1cnon1)C1CCC(F)CC1 ZINC000852651625 588694058 /nfs/dbraw/zinc/69/40/58/588694058.db2.gz PLCFQFNOFBTPCG-XNWIYYODSA-N 0 1 227.283 2.076 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C2CCC2)C1 ZINC000852672431 588694837 /nfs/dbraw/zinc/69/48/37/588694837.db2.gz BUCKUTFTSCWIHK-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN CC[C@@H]1CCC[C@H](C)[N@H+]1CCS(=O)(=O)CC ZINC000852711829 588697260 /nfs/dbraw/zinc/69/72/60/588697260.db2.gz IUOMPFUZLZOMBN-NWDGAFQWSA-N 0 1 247.404 2.074 20 0 BEADMN O=C([O-])C[N@@H+](CC=C(Cl)Cl)C1CCC1 ZINC000852729490 588698643 /nfs/dbraw/zinc/69/86/43/588698643.db2.gz HEIBQZNKOHMOIB-UHFFFAOYSA-N 0 1 238.114 2.245 20 0 BEADMN C[C@@H](OC(=O)C[C@H](C)c1ccco1)c1nnc[nH]1 ZINC000860892907 589126192 /nfs/dbraw/zinc/12/61/92/589126192.db2.gz ZFWIMMGBPVESJP-DTWKUNHWSA-N 0 1 249.270 2.196 20 0 BEADMN C[N@@H+](CC1CC1)Cn1cnc(-c2ccccc2)n1 ZINC000117862457 589136295 /nfs/dbraw/zinc/13/62/95/589136295.db2.gz LKKRNVMDIWWXCC-UHFFFAOYSA-N 0 1 242.326 2.244 20 0 BEADMN CN(CC1CC1)Cn1cnc(-c2ccccc2)n1 ZINC000117862457 589136297 /nfs/dbraw/zinc/13/62/97/589136297.db2.gz LKKRNVMDIWWXCC-UHFFFAOYSA-N 0 1 242.326 2.244 20 0 BEADMN CCCCCCC(=O)OCCN1CCC1 ZINC000861384108 589162297 /nfs/dbraw/zinc/16/22/97/589162297.db2.gz CYSLQMUETLVTGU-UHFFFAOYSA-N 0 1 213.321 2.206 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCCN1CCC1 ZINC000861384824 589162351 /nfs/dbraw/zinc/16/23/51/589162351.db2.gz YYKIKFVVFOIXHN-GFCCVEGCSA-N 0 1 227.348 2.452 20 0 BEADMN O=C(/C=C\c1ccccc1F)OCCN1CCC1 ZINC000861385772 589162543 /nfs/dbraw/zinc/16/25/43/589162543.db2.gz YSCGLQLSZNPKRI-SREVYHEPSA-N 0 1 249.285 2.088 20 0 BEADMN O=C(OCCN1CCC1)c1ccc2c(c1)CCC2 ZINC000861385764 589162599 /nfs/dbraw/zinc/16/25/99/589162599.db2.gz YJZPNLPHZLDDAP-UHFFFAOYSA-N 0 1 245.322 2.038 20 0 BEADMN CCc1cccc(CC(=O)OCCN2CCC2)c1 ZINC000861388975 589162856 /nfs/dbraw/zinc/16/28/56/589162856.db2.gz UADYINGXZOEWGD-UHFFFAOYSA-N 0 1 247.338 2.040 20 0 BEADMN CC1(C)CCC[C@@H](C(=O)OCCN2CCC2)C1 ZINC000861388994 589162870 /nfs/dbraw/zinc/16/28/70/589162870.db2.gz UWGDWMFFPHLKNF-GFCCVEGCSA-N 0 1 239.359 2.452 20 0 BEADMN CCC(C)(C)CC(=O)OCCN1CCC1 ZINC000861388412 589162886 /nfs/dbraw/zinc/16/28/86/589162886.db2.gz SNTNVINRQSJAEK-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCCN1CCC1 ZINC000861390086 589163382 /nfs/dbraw/zinc/16/33/82/589163382.db2.gz IVQOIRAPUICODU-NWDGAFQWSA-N 0 1 239.359 2.308 20 0 BEADMN C[C@H](CC(=O)OCCN1CCC1)c1ccco1 ZINC000861390203 589163553 /nfs/dbraw/zinc/16/35/53/589163553.db2.gz LECRXAWKZULHJO-LLVKDONJSA-N 0 1 237.299 2.022 20 0 BEADMN CCc1ccccc1CC(=O)OCCN1CCC1 ZINC000861389663 589163743 /nfs/dbraw/zinc/16/37/43/589163743.db2.gz SWPZPTHEIAPGPH-UHFFFAOYSA-N 0 1 247.338 2.040 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)OCCN1CCC1 ZINC000861391191 589164191 /nfs/dbraw/zinc/16/41/91/589164191.db2.gz QBJXZOJCSXPTEB-VXGBXAGGSA-N 0 1 225.332 2.062 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000861762591 589177140 /nfs/dbraw/zinc/17/71/40/589177140.db2.gz ZCLBUYRLFRTPET-YFHOEESVSA-N 0 1 247.342 2.287 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862226752 589195707 /nfs/dbraw/zinc/19/57/07/589195707.db2.gz NDUVFSGXIWUCNC-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)C1CN(Cc2ccnc(F)c2)C1 ZINC000862350726 589201700 /nfs/dbraw/zinc/20/17/00/589201700.db2.gz GSNVVXPJKVWCBL-UHFFFAOYSA-N 0 1 208.280 2.309 20 0 BEADMN CS[C@@H]1CCN(Cc2ccnc(F)c2C)C1 ZINC000862385691 589207520 /nfs/dbraw/zinc/20/75/20/589207520.db2.gz ZOWDMJUOZBTCCN-LLVKDONJSA-N 0 1 240.347 2.466 20 0 BEADMN CCOC(=O)c1cccc(CN[C@H]2C=CCC2)n1 ZINC000862410160 589210672 /nfs/dbraw/zinc/21/06/72/589210672.db2.gz OEVBYHDWPQFEKW-NSHDSACASA-N 0 1 246.310 2.067 20 0 BEADMN CCc1ccc(CN[C@@H]2CC=C(C(=O)OC)C2)o1 ZINC000862465066 589215740 /nfs/dbraw/zinc/21/57/40/589215740.db2.gz CWKODCBMOMUVKO-LLVKDONJSA-N 0 1 249.310 2.193 20 0 BEADMN FC1(F)CCCN(Cc2cnccn2)CC1 ZINC000862467473 589216773 /nfs/dbraw/zinc/21/67/73/589216773.db2.gz WKDIAQRDZNWHNI-UHFFFAOYSA-N 0 1 227.258 2.098 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CCN1c1cc[nH+]cc1Cl ZINC000863479811 589292717 /nfs/dbraw/zinc/29/27/17/589292717.db2.gz ZSHKMECKRHRCRL-JGVFFNPUSA-N 0 1 240.690 2.034 20 0 BEADMN CCCCCCNC(=O)[C@@H]1CCCCN1C ZINC000204075824 589302871 /nfs/dbraw/zinc/30/28/71/589302871.db2.gz SOFGXXKTZYCWFQ-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(C)o2)no1 ZINC000863671432 589309688 /nfs/dbraw/zinc/30/96/88/589309688.db2.gz ZQFZDAXQSMBWAL-QMMMGPOBSA-N 0 1 221.260 2.309 20 0 BEADMN CCN[C@H](C)c1nc(-c2ncc(C)s2)no1 ZINC000863677782 589310305 /nfs/dbraw/zinc/31/03/05/589310305.db2.gz LCYDIURLFZKZGG-SSDOTTSWSA-N 0 1 238.316 2.172 20 0 BEADMN Cc1nnc(CNCC[C@@]2(C)CC2(F)F)s1 ZINC000864052031 589333563 /nfs/dbraw/zinc/33/35/63/589333563.db2.gz ZDBMBNMGFGGBFV-VIFPVBQESA-N 0 1 247.314 2.372 20 0 BEADMN CO[C@@]1(C)C[C@H]1Nc1ccncc1C(F)(F)F ZINC000864093343 589344409 /nfs/dbraw/zinc/34/44/09/589344409.db2.gz NXMYVAXLDANOIT-ZJUUUORDSA-N 0 1 246.232 2.112 20 0 BEADMN CC/C=C(/F)C(=O)N1CCN(CC(C)C)CC1 ZINC000864611283 589383495 /nfs/dbraw/zinc/38/34/95/589383495.db2.gz AGSQFCAMQUMCTM-LFYBBSHMSA-N 0 1 242.338 2.050 20 0 BEADMN CCCCOCCNCc1cn(C2CC2)cn1 ZINC000865435105 589435956 /nfs/dbraw/zinc/43/59/56/589435956.db2.gz CHHBRIOXSCCOHC-UHFFFAOYSA-N 0 1 237.347 2.124 20 0 BEADMN Cc1cc(CNC[C@@H](O)c2cccc(C)c2)on1 ZINC000865495832 589440834 /nfs/dbraw/zinc/44/08/34/589440834.db2.gz QBGQLWRBAJAICP-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)on1 ZINC000865571588 589447798 /nfs/dbraw/zinc/44/77/98/589447798.db2.gz OBLNBPQCGVHVNS-SMDDNHRTSA-N 0 1 246.310 2.195 20 0 BEADMN C[C@H]1C[C@H](NCc2cn(C3CC3)cn2)CS1 ZINC000865602886 589450152 /nfs/dbraw/zinc/45/01/52/589450152.db2.gz UHQRNRRDXYZXAS-UWVGGRQHSA-N 0 1 237.372 2.202 20 0 BEADMN CC1(C)C[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865602112 589450163 /nfs/dbraw/zinc/45/01/63/589450163.db2.gz NZOYQAUELKKRBK-NSHDSACASA-N 0 1 205.305 2.106 20 0 BEADMN C[C@@H]1CCC[C@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865628095 589452765 /nfs/dbraw/zinc/45/27/65/589452765.db2.gz QGXFTQSSIMFYQR-BXUZGUMPSA-N 0 1 249.358 2.265 20 0 BEADMN C/C=C/CNCc1cc2c(cc[nH]c2=O)o1 ZINC000865642188 589453727 /nfs/dbraw/zinc/45/37/27/589453727.db2.gz DCCASMKDHQNWTA-NSCUHMNNSA-N 0 1 218.256 2.199 20 0 BEADMN F[C@@H]1CCCC[C@@H]1NCc1cnc2n1CCC2 ZINC000865696624 589456822 /nfs/dbraw/zinc/45/68/22/589456822.db2.gz HXAYFGRUVIAIJD-NEPJUHHUSA-N 0 1 237.322 2.200 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC[C@@H]2F)n(C)n1 ZINC000865697318 589456921 /nfs/dbraw/zinc/45/69/21/589456921.db2.gz XNQQDSZBHUGSTC-NWDGAFQWSA-N 0 1 225.311 2.099 20 0 BEADMN CCc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1F ZINC000865699463 589457124 /nfs/dbraw/zinc/45/71/24/589457124.db2.gz RQJGJUXYKAPTSC-WCQYABFASA-N 0 1 239.338 2.353 20 0 BEADMN F[C@@H]1CCCC[C@@H]1NCc1ccccn1 ZINC000865698753 589457153 /nfs/dbraw/zinc/45/71/53/589457153.db2.gz HCORGIDKUCPXGZ-NEPJUHHUSA-N 0 1 208.280 2.452 20 0 BEADMN CC1(C)CC[C@@H](O)[C@H](NCc2cscn2)C1 ZINC000865700191 589457476 /nfs/dbraw/zinc/45/74/76/589457476.db2.gz WVQVCORUCQJHRX-GHMZBOCLSA-N 0 1 240.372 2.172 20 0 BEADMN CN(CCCCO)c1ccncc1C(F)(F)F ZINC000865719566 589458375 /nfs/dbraw/zinc/45/83/75/589458375.db2.gz VILDUNOKUQBYTE-UHFFFAOYSA-N 0 1 248.248 2.309 20 0 BEADMN CS[C@H]1C[C@H](NCc2nccn2C(C)C)C1 ZINC000865732970 589458888 /nfs/dbraw/zinc/45/88/88/589458888.db2.gz ACVQVOJTIHWDLY-XYPYZODXSA-N 0 1 239.388 2.448 20 0 BEADMN Cc1ncc(CN[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000865753863 589461031 /nfs/dbraw/zinc/46/10/31/589461031.db2.gz RSFOKBMXNVDDJJ-HTQZYQBOSA-N 0 1 236.262 2.492 20 0 BEADMN CC(C)n1ccnc1CN[C@]12CCC[C@H]1OCC2 ZINC000865857145 589465186 /nfs/dbraw/zinc/46/51/86/589465186.db2.gz NBFGPJLMLUIRAW-OCCSQVGLSA-N 0 1 249.358 2.265 20 0 BEADMN Cn1cnc(CNC2([C@@H]3CCCCO3)CCC2)c1 ZINC000865857478 589465380 /nfs/dbraw/zinc/46/53/80/589465380.db2.gz RTXXIXRCYMERMI-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN Cn1ccnc1CNC1([C@H]2CCCCO2)CCC1 ZINC000865857899 589465382 /nfs/dbraw/zinc/46/53/82/589465382.db2.gz ZRBSYHADBJOBLM-GFCCVEGCSA-N 0 1 249.358 2.002 20 0 BEADMN Cc1cc(CNCC[C@@H](O)C2CCCC2)on1 ZINC000865876420 589467047 /nfs/dbraw/zinc/46/70/47/589467047.db2.gz JFPLLKFZXRQJFI-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN CCC=C(F)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000866729825 589516899 /nfs/dbraw/zinc/51/68/99/589516899.db2.gz PRTOPWDAPBPKDW-LLGDCAAFSA-N 0 1 237.278 2.167 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)NOC2CCCCC2)[C@@H](C)O1 ZINC000867548342 589525257 /nfs/dbraw/zinc/52/52/57/589525257.db2.gz SDMAJLHEKFLVSN-CKYFFXLPSA-N 0 1 241.331 2.180 20 0 BEADMN CC(C)(C(=O)NOCC1CC1)[C@H]1CCCCO1 ZINC000868553910 589563964 /nfs/dbraw/zinc/56/39/64/589563964.db2.gz OBSXIJNJJRXFIU-LLVKDONJSA-N 0 1 241.331 2.040 20 0 BEADMN CC(C)ONC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000868658691 589570824 /nfs/dbraw/zinc/57/08/24/589570824.db2.gz FENFTEKBMPAWIL-JTQLQIEISA-N 0 1 229.320 2.038 20 0 BEADMN CCCCCCN(CCS(C)(=O)=O)C(C)C ZINC000122509372 589595861 /nfs/dbraw/zinc/59/58/61/589595861.db2.gz ARSOQOUOYFNNSO-UHFFFAOYSA-N 0 1 249.420 2.322 20 0 BEADMN Cc1cc(CC(=O)OC[C@@H](C)C(C)(C)C)n[nH]1 ZINC000869433236 589605832 /nfs/dbraw/zinc/60/58/32/589605832.db2.gz WWLGVVLOKXXGQU-SECBINFHSA-N 0 1 238.331 2.486 20 0 BEADMN O=C(NCCC1CCC1)c1n[nH]c2ccccc21 ZINC000122591443 589606316 /nfs/dbraw/zinc/60/63/16/589606316.db2.gz AKMMDMIWQHPJRN-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN CC(C)[C@@H](C(=O)OCCCC1CC1)N(C)C ZINC000869501657 589610166 /nfs/dbraw/zinc/61/01/66/589610166.db2.gz YLMIAJUUTPFWAK-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000123527811 589747393 /nfs/dbraw/zinc/74/73/93/589747393.db2.gz MREPGNJIZWFWAX-NSHDSACASA-N 0 1 233.311 2.156 20 0 BEADMN Cn1c(=O)[nH]nc1SCC1CC2(CCC2)C1 ZINC000871726078 589798344 /nfs/dbraw/zinc/79/83/44/589798344.db2.gz FIJUQDFXLSPDSD-UHFFFAOYSA-N 0 1 239.344 2.193 20 0 BEADMN CC1(C)CC[C@H]2C(=O)N(c3cnccn3)N=C2C1 ZINC000871943226 589837128 /nfs/dbraw/zinc/83/71/28/589837128.db2.gz CMYPCHNKMKXVFC-SECBINFHSA-N 0 1 244.298 2.006 20 0 BEADMN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(Cl)n3)N=C12 ZINC000871951577 589840443 /nfs/dbraw/zinc/84/04/43/589840443.db2.gz REIZVSYIEPFYBJ-YUMQZZPRSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccnc(F)c3)C(=O)[C@H]2C1 ZINC000871953163 589841641 /nfs/dbraw/zinc/84/16/41/589841641.db2.gz DQQNIURSQGYXSH-SCZZXKLOSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccnc(F)c3)c(=O)c2C1 ZINC000871953163 589841645 /nfs/dbraw/zinc/84/16/45/589841645.db2.gz DQQNIURSQGYXSH-SCZZXKLOSA-N 0 1 247.273 2.360 20 0 BEADMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C ZINC000871955062 589842536 /nfs/dbraw/zinc/84/25/36/589842536.db2.gz VMUBRQMMBUGVOC-LURJTMIESA-N 0 1 223.663 2.094 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953707 589842761 /nfs/dbraw/zinc/84/27/61/589842761.db2.gz ASLRGOKAERDAEI-CPCISQLKSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccnc(Cl)c3)[nH]c21 ZINC000871953661 589842870 /nfs/dbraw/zinc/84/28/70/589842870.db2.gz YDUNYCAUJSSNMK-VXNVDRBHSA-N 0 1 249.701 2.484 20 0 BEADMN CC1(C)CCc2c([nH]n(C3CC3)c2=O)C1 ZINC000871958802 589844294 /nfs/dbraw/zinc/84/42/94/589844294.db2.gz KCTQEXBWEGWVSS-SECBINFHSA-N 0 1 206.289 2.173 20 0 BEADMN CC(C)OCCn1[nH]c(C2CCCC2)cc1=O ZINC000871957934 589844307 /nfs/dbraw/zinc/84/43/07/589844307.db2.gz QSHBUTOSYMSLCT-UHFFFAOYSA-N 0 1 238.331 2.190 20 0 BEADMN CCc1cc(=O)n(C[C@@H]2CCCC2(F)F)[nH]1 ZINC000871963225 589847442 /nfs/dbraw/zinc/84/74/42/589847442.db2.gz MINBWNJLLDUFEC-QMMMGPOBSA-N 0 1 230.258 2.420 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872017203 589856321 /nfs/dbraw/zinc/85/63/21/589856321.db2.gz WFVRHPGZRMMINM-BDAKNGLRSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@@H](NCCn1ccnc1)c1cc(O)ccc1F ZINC000872018232 589856845 /nfs/dbraw/zinc/85/68/45/589856845.db2.gz KBNUNVXNSULTJU-SNVBAGLBSA-N 0 1 249.289 2.079 20 0 BEADMN C[C@@H](N[C@@H]1CCCOC1)c1cccc(O)c1F ZINC000872035244 589858111 /nfs/dbraw/zinc/85/81/11/589858111.db2.gz UUGXUUDIWNVOGW-NXEZZACHSA-N 0 1 239.290 2.361 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1cccc(O)c1F ZINC000872063916 589862571 /nfs/dbraw/zinc/86/25/71/589862571.db2.gz AGDCVUZTEHUDRK-IUCAKERBSA-N 0 1 227.279 2.217 20 0 BEADMN CC(C)OC1(CN[C@H](C)c2ncc[nH]2)CCC1 ZINC000872116133 589874740 /nfs/dbraw/zinc/87/47/40/589874740.db2.gz OPAGVADXINDDEI-LLVKDONJSA-N 0 1 237.347 2.408 20 0 BEADMN Cc1nonc1CN[C@@H](C)C(C)(C)C(F)F ZINC000872134855 589878214 /nfs/dbraw/zinc/87/82/14/589878214.db2.gz FHIYTIDSLYWODG-ZETCQYMHSA-N 0 1 233.262 2.147 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000872166010 589887101 /nfs/dbraw/zinc/88/71/01/589887101.db2.gz QOKGEKSZHUREGC-CYBMUJFWSA-N 0 1 246.310 2.463 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1C1CC1 ZINC000872161319 589887397 /nfs/dbraw/zinc/88/73/97/589887397.db2.gz XFSCUVZKTZDYJH-QWHCGFSZSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(C(F)F)CCC2)n1 ZINC000872170494 589888009 /nfs/dbraw/zinc/88/80/09/589888009.db2.gz IVSVWFYVOJLRNX-ZETCQYMHSA-N 0 1 245.273 2.412 20 0 BEADMN Cc1cc(CN)oc1-c1nc(CC2CC2)no1 ZINC000872173340 589888420 /nfs/dbraw/zinc/88/84/20/589888420.db2.gz OBWLVPRKZOUUCU-UHFFFAOYSA-N 0 1 233.271 2.049 20 0 BEADMN c1nc(CN2CCC[C@H](OC3CCC3)CC2)c[nH]1 ZINC000872280726 589904931 /nfs/dbraw/zinc/90/49/31/589904931.db2.gz PGEZDDQXWXXARD-AWEZNQCLSA-N 0 1 249.358 2.333 20 0 BEADMN CN1CCN([C@@H]2C=CCCC2)Cc2cccnc21 ZINC000872318694 589911696 /nfs/dbraw/zinc/91/16/96/589911696.db2.gz OADIVQMQECUEOI-CQSZACIVSA-N 0 1 243.354 2.442 20 0 BEADMN C[C@@H]1CCN(CN2CCC3(CCCC3)C2=O)C1 ZINC000872575211 589953259 /nfs/dbraw/zinc/95/32/59/589953259.db2.gz XJLQSJQAQXEGSY-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN CC(C)CCC[N@@H+](CC(=O)[O-])C(C)C ZINC000124159691 589953556 /nfs/dbraw/zinc/95/35/56/589953556.db2.gz RRIFQLGMMAWNEN-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN CC1(C)CCC(=O)N1CN1CCC(C)(F)CC1 ZINC000872691285 589962004 /nfs/dbraw/zinc/96/20/04/589962004.db2.gz FGMOOMDGHBIPFD-UHFFFAOYSA-N 0 1 242.338 2.169 20 0 BEADMN CCOCCNCc1c(F)cccc1OCC ZINC000873014630 589978896 /nfs/dbraw/zinc/97/88/96/589978896.db2.gz RXUHPNIRUPPZNJ-UHFFFAOYSA-N 0 1 241.306 2.351 20 0 BEADMN C[C@@H](C[C@H](O)c1ccccc1)NCc1ccon1 ZINC000873097247 589984749 /nfs/dbraw/zinc/98/47/49/589984749.db2.gz KYAGANJIABOMLA-FZMZJTMJSA-N 0 1 246.310 2.276 20 0 BEADMN C[C@@]1(CCNCc2ccon2)C[C@]1(F)Cl ZINC000873133118 589985464 /nfs/dbraw/zinc/98/54/64/589985464.db2.gz DMQLCXBIHBENIZ-NXEZZACHSA-N 0 1 232.686 2.469 20 0 BEADMN Cc1c[nH]c(CNCC2(OC(C)C)CCC2)n1 ZINC000873167643 589989238 /nfs/dbraw/zinc/98/92/38/589989238.db2.gz MZKHMKHIAMZZFD-UHFFFAOYSA-N 0 1 237.347 2.155 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H](C)COC(C)C ZINC000873186780 589990845 /nfs/dbraw/zinc/99/08/45/589990845.db2.gz FREJDFGEFYSWSB-PWSUYJOCSA-N 0 1 237.347 2.249 20 0 BEADMN Cc1ccc2[nH]ncc2c1C(=O)OC(C)C ZINC000873487960 590048957 /nfs/dbraw/zinc/04/89/57/590048957.db2.gz BMHXKJDJZXGZEE-UHFFFAOYSA-N 0 1 218.256 2.437 20 0 BEADMN C[C@@H](OC(=O)C1CCC=CCC1)c1nnc[nH]1 ZINC000873548140 590055700 /nfs/dbraw/zinc/05/57/00/590055700.db2.gz UCQJXFPEYNBJJY-SECBINFHSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H](C)[C@H]1CC12CC2)N(C)C ZINC000873625916 590063915 /nfs/dbraw/zinc/06/39/15/590063915.db2.gz UPXDYBOLNWGVBA-IJLUTSLNSA-N 0 1 239.359 2.304 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000873649935 590066688 /nfs/dbraw/zinc/06/66/88/590066688.db2.gz YKUDZNGEINAVPW-OAHLLOKOSA-N 0 1 245.322 2.051 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1 ZINC000873992702 590083928 /nfs/dbraw/zinc/08/39/28/590083928.db2.gz ATBZPFIBEMJSQZ-CHWSQXEVSA-N 0 1 238.375 2.167 20 0 BEADMN O=C(CN1CCCC1)N1CC[C@H]1c1ccccc1 ZINC000874035445 590086307 /nfs/dbraw/zinc/08/63/07/590086307.db2.gz VVAILDXXMYHJGJ-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN C[C@H](C(=O)NCC1CCCCCCC1)N(C)C ZINC000874110172 590092189 /nfs/dbraw/zinc/09/21/89/590092189.db2.gz DYUPPFYLBHKVEB-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)CN2CCCC2)C1 ZINC000874160390 590094286 /nfs/dbraw/zinc/09/42/86/590094286.db2.gz ANWUHIXARGVRJN-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CCNC[C@H]1C ZINC000124883897 590097423 /nfs/dbraw/zinc/09/74/23/590097423.db2.gz AFOQKXWIRMJUCC-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H](CC)C(=O)Nc1nc(SC)n[nH]1 ZINC000874254446 590099171 /nfs/dbraw/zinc/09/91/71/590099171.db2.gz TYFFFJCVUIKLLU-ZETCQYMHSA-N 0 1 242.348 2.291 20 0 BEADMN O=C(NOc1ccccc1F)[C@H]1C[C@@H]1C(F)F ZINC000874910458 590154552 /nfs/dbraw/zinc/15/45/52/590154552.db2.gz RMOQIUADLIZVMJ-BQBZGAKWSA-N 0 1 245.200 2.137 20 0 BEADMN O=C1CCCN1C=Cc1cc(C(F)(F)F)[nH]n1 ZINC000876500475 590202832 /nfs/dbraw/zinc/20/28/32/590202832.db2.gz CSLGNTAYRASWFQ-HWKANZROSA-N 0 1 245.204 2.022 20 0 BEADMN CCCn1cc(CN2CCCC[C@H]2CC)nn1 ZINC000876524551 590208691 /nfs/dbraw/zinc/20/86/91/590208691.db2.gz TZKNSXGFPOJKMX-CYBMUJFWSA-N 0 1 236.363 2.453 20 0 BEADMN CCCn1cc(CN(CC)CC(C)C)nn1 ZINC000876580301 590218387 /nfs/dbraw/zinc/21/83/87/590218387.db2.gz IHKMAFLYAVVGOX-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN CCCn1cc(CN2CCC[C@H]2CC)nn1 ZINC000876632178 590224003 /nfs/dbraw/zinc/22/40/03/590224003.db2.gz IGPDRKJYHKGAOL-GFCCVEGCSA-N 0 1 222.336 2.063 20 0 BEADMN CCCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000876638730 590224814 /nfs/dbraw/zinc/22/48/14/590224814.db2.gz MRVRAYJXAZYHDS-JSGCOSHPSA-N 0 1 248.374 2.453 20 0 BEADMN c1cnn(C2CCN(Cc3ccns3)CC2)c1 ZINC000876648849 590225598 /nfs/dbraw/zinc/22/55/98/590225598.db2.gz XURHMBILVJNNSW-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN CCCn1cc(CN2CC[C@H](C)[C@@H](C)C2)nn1 ZINC000876745184 590236648 /nfs/dbraw/zinc/23/66/48/590236648.db2.gz GIRXQUMLGFPTSB-RYUDHWBXSA-N 0 1 236.363 2.166 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)/C=C/C(C)(C)C ZINC000876999018 590267377 /nfs/dbraw/zinc/26/73/77/590267377.db2.gz QGWNJARAIYDJQG-NNNHXZLVSA-N 0 1 238.375 2.045 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1nc(Cl)cs1 ZINC000877024734 590271215 /nfs/dbraw/zinc/27/12/15/590271215.db2.gz MTWCXIAGBVWEPP-YUMQZZPRSA-N 0 1 248.779 2.293 20 0 BEADMN CCC[C@](C)(O)CNCc1nc(Cl)cs1 ZINC000877027889 590271479 /nfs/dbraw/zinc/27/14/79/590271479.db2.gz UVOLXDFMEGSSHA-JTQLQIEISA-N 0 1 248.779 2.437 20 0 BEADMN CC(C)[C@H](CCO)NCc1nc(Cl)cs1 ZINC000877064232 590276868 /nfs/dbraw/zinc/27/68/68/590276868.db2.gz OVWDJLUOELOVBF-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN Clc1csc(CN[C@H]2CCSC2)n1 ZINC000877072037 590277835 /nfs/dbraw/zinc/27/78/35/590277835.db2.gz GMPQMODGHTVRHY-LURJTMIESA-N 0 1 234.777 2.392 20 0 BEADMN C[C@]1(CNCc2nc(Cl)cs2)CCCO1 ZINC000877101308 590283185 /nfs/dbraw/zinc/28/31/85/590283185.db2.gz IFKQZRIBDMYHMS-SNVBAGLBSA-N 0 1 246.763 2.455 20 0 BEADMN OC[C@@H](CC1CC1)NCc1nc(Cl)cs1 ZINC000877117649 590288297 /nfs/dbraw/zinc/28/82/97/590288297.db2.gz NWTFNRXBILMONX-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CC1=C(C)C[C@H]([C@H](C)NCc2ncn(C)n2)CC1 ZINC000877120491 590289124 /nfs/dbraw/zinc/28/91/24/590289124.db2.gz SXJPELDCMUEFOK-QWHCGFSZSA-N 0 1 248.374 2.430 20 0 BEADMN Cc1cc(CNC[C@H]2CC2(Cl)Cl)ncn1 ZINC000877124101 590289482 /nfs/dbraw/zinc/28/94/82/590289482.db2.gz HQPXONVWEUXGKG-MRVPVSSYSA-N 0 1 246.141 2.068 20 0 BEADMN CCC[C@H](CN1CCC[C@H]1c1ncc[nH]1)OC ZINC000877344725 590319339 /nfs/dbraw/zinc/31/93/39/590319339.db2.gz MYAHPWYABSYRBU-NEPJUHHUSA-N 0 1 237.347 2.362 20 0 BEADMN Cc1cc(C)nc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000126491350 590320548 /nfs/dbraw/zinc/32/05/48/590320548.db2.gz QKVLOUHJGLZKRG-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CC(C)=CCNCc1ccc(Cl)nn1 ZINC000877472634 590335056 /nfs/dbraw/zinc/33/50/56/590335056.db2.gz XZDUXWZJUQDPRK-UHFFFAOYSA-N 0 1 211.696 2.186 20 0 BEADMN C[C@@H]1CN(CC2(C)CCCC2)C[C@H](C)[S@@]1=O ZINC000877474070 590335932 /nfs/dbraw/zinc/33/59/32/590335932.db2.gz VTCFKEQSZDVLBP-DRXBFXEBSA-N 0 1 243.416 2.408 20 0 BEADMN CCC[C@@H](CNCc1cccnc1F)OC ZINC000877487487 590338461 /nfs/dbraw/zinc/33/84/61/590338461.db2.gz GFYJWUJNCRETSB-NSHDSACASA-N 0 1 226.295 2.125 20 0 BEADMN CCC[C@H](CNCc1cccnc1F)OC ZINC000877487485 590338499 /nfs/dbraw/zinc/33/84/99/590338499.db2.gz GFYJWUJNCRETSB-LLVKDONJSA-N 0 1 226.295 2.125 20 0 BEADMN CC(C)[C@@H](CO)CNCc1nc(Cl)cs1 ZINC000877521860 590346092 /nfs/dbraw/zinc/34/60/92/590346092.db2.gz JDBHHGLITGQLPL-MRVPVSSYSA-N 0 1 248.779 2.151 20 0 BEADMN Cc1nonc1CNCCc1ccc(C)cc1 ZINC000877525840 590347520 /nfs/dbraw/zinc/34/75/20/590347520.db2.gz DIMXTIMNQFAQII-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CCCn1cc(CN2CCC[C@H](C3CC3)C2)nn1 ZINC000877535568 590350415 /nfs/dbraw/zinc/35/04/15/590350415.db2.gz QOQXOZBFUPWSKT-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN CC[C@H](NCc1nc(Cl)cs1)C(C)(C)O ZINC000877552021 590355358 /nfs/dbraw/zinc/35/53/58/590355358.db2.gz ILFWHGRZYWUWLL-ZETCQYMHSA-N 0 1 248.779 2.436 20 0 BEADMN FCC(CF)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877555836 590356050 /nfs/dbraw/zinc/35/60/50/590356050.db2.gz DHUKHBAUAHCWMW-KXUCPTDWSA-N 0 1 203.276 2.320 20 0 BEADMN CC/C=C\CNCc1cc(OC)cnc1F ZINC000877563963 590360090 /nfs/dbraw/zinc/36/00/90/590360090.db2.gz SIGHMDCDKBBDIW-PLNGDYQASA-N 0 1 224.279 2.285 20 0 BEADMN COCC1(C)CN(C[C@H]2CC2(Cl)Cl)C1 ZINC000877582242 590365890 /nfs/dbraw/zinc/36/58/90/590365890.db2.gz OGRMJVAXORQKDX-MRVPVSSYSA-N 0 1 238.158 2.149 20 0 BEADMN c1c2cnccc2oc1CNC1CSC1 ZINC000877634442 590379567 /nfs/dbraw/zinc/37/95/67/590379567.db2.gz PAXDQQAEBZZNAV-UHFFFAOYSA-N 0 1 220.297 2.033 20 0 BEADMN CC(C)c1ncc(CNC2CSC2)s1 ZINC000877634333 590379708 /nfs/dbraw/zinc/37/97/08/590379708.db2.gz IKOWYUKVYHDENH-UHFFFAOYSA-N 0 1 228.386 2.472 20 0 BEADMN Cc1cc(CN[C@@H]2CC(C)(C)CC[C@H]2O)no1 ZINC000877684066 590391481 /nfs/dbraw/zinc/39/14/81/590391481.db2.gz OZVYMSCYLPCMFX-VXGBXAGGSA-N 0 1 238.331 2.012 20 0 BEADMN CCCn1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)nn1 ZINC000877718896 590400147 /nfs/dbraw/zinc/40/01/47/590400147.db2.gz XOGUWGOZOWLXPB-BETUJISGSA-N 0 1 246.358 2.086 20 0 BEADMN Cc1ncc(CN2C[C@H](O)CC(C)(C)C2)s1 ZINC000877753033 590417371 /nfs/dbraw/zinc/41/73/71/590417371.db2.gz LNCXQUHMLDDLKC-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)(C)OC1CN(C[C@@H]2CCSC2)C1 ZINC000877769451 590421399 /nfs/dbraw/zinc/42/13/99/590421399.db2.gz CMFQUYBOUZPRPF-JTQLQIEISA-N 0 1 229.389 2.239 20 0 BEADMN CC[C@H](C[C@H](C)O)NCc1nc(Cl)cs1 ZINC000877778148 590422520 /nfs/dbraw/zinc/42/25/20/590422520.db2.gz KKDURFQLLOAFIA-JGVFFNPUSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@H](C[C@H](C)O)NCc1nc2ccccc2o1 ZINC000877778164 590423422 /nfs/dbraw/zinc/42/34/22/590423422.db2.gz KVMBJDMWNGFBSZ-WDEREUQCSA-N 0 1 248.326 2.467 20 0 BEADMN Cc1cnc(CN2CC[C@H](C(C)(C)O)C2)s1 ZINC000877836308 590431434 /nfs/dbraw/zinc/43/14/34/590431434.db2.gz UEUCPXBWUMLHCR-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC000877898636 590442567 /nfs/dbraw/zinc/44/25/67/590442567.db2.gz BTRCDZHLNUUGMY-RWMBFGLXSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC000877898636 590442569 /nfs/dbraw/zinc/44/25/69/590442569.db2.gz BTRCDZHLNUUGMY-RWMBFGLXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCCCC1 ZINC000877908879 590445300 /nfs/dbraw/zinc/44/53/00/590445300.db2.gz ZHMIURDLOHBNGS-ZWNOBZJWSA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)NC(=O)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000877940710 590453343 /nfs/dbraw/zinc/45/33/43/590453343.db2.gz IIVWGRKKHVQAJH-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[N@@H+](CCO)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000877949454 590454372 /nfs/dbraw/zinc/45/43/72/590454372.db2.gz GGVCBUCRHYWTHN-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1ncccc1C ZINC000877954157 590456076 /nfs/dbraw/zinc/45/60/76/590456076.db2.gz VBQPNTDTXFDZTJ-LBPRGKRZSA-N 0 1 249.358 2.449 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000877957450 590457639 /nfs/dbraw/zinc/45/76/39/590457639.db2.gz KRMYGWPKZNQBQE-CHWSQXEVSA-N 0 1 239.359 2.056 20 0 BEADMN COCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000877983670 590465841 /nfs/dbraw/zinc/46/58/41/590465841.db2.gz SPAUIOGEXOSWQS-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN COCCN(C)Cc1ccc(C)c(Cl)n1 ZINC000877983670 590465843 /nfs/dbraw/zinc/46/58/43/590465843.db2.gz SPAUIOGEXOSWQS-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN CCCCN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878007707 590470823 /nfs/dbraw/zinc/47/08/23/590470823.db2.gz INRRHVUDWUMVPV-GWCFXTLKSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878030832 590474853 /nfs/dbraw/zinc/47/48/53/590474853.db2.gz JHJINADUWGNGBJ-SNVBAGLBSA-N 0 1 220.316 2.395 20 0 BEADMN C[C@H]1CN(CCCOC(F)(F)F)CCCO1 ZINC000878042269 590479356 /nfs/dbraw/zinc/47/93/56/590479356.db2.gz WGDLEFPJLWQGRL-VIFPVBQESA-N 0 1 241.253 2.024 20 0 BEADMN CCCN(CC(=O)Nc1ncccc1C)C1CC1 ZINC000878054211 590483480 /nfs/dbraw/zinc/48/34/80/590483480.db2.gz BVYRZTZJPDXPTJ-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1CCCC(C)(C)O1 ZINC000878108763 590496746 /nfs/dbraw/zinc/49/67/46/590496746.db2.gz OBNRKLNJLOYOGT-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1CSCCN1CCCOC(F)(F)F ZINC000878120882 590499492 /nfs/dbraw/zinc/49/94/92/590499492.db2.gz LWLNBMOAYHIUAH-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN C[C@H](O)CN(C)Cc1cc(C(F)(F)F)co1 ZINC000878128793 590503138 /nfs/dbraw/zinc/50/31/38/590503138.db2.gz HSQHUIRXHWGRMA-ZETCQYMHSA-N 0 1 237.221 2.111 20 0 BEADMN CC(=O)CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000878133218 590503422 /nfs/dbraw/zinc/50/34/22/590503422.db2.gz GSSJWEOBRISMCJ-HNNXBMFYSA-N 0 1 246.354 2.479 20 0 BEADMN Cc1cccnc1NC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000878163730 590511810 /nfs/dbraw/zinc/51/18/10/590511810.db2.gz BOKWRENYVXOOBN-ZYHUDNBSSA-N 0 1 247.342 2.059 20 0 BEADMN CCCN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878181259 590517369 /nfs/dbraw/zinc/51/73/69/590517369.db2.gz MVALUIWJFQJWKN-ZWNOBZJWSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000878196410 590522307 /nfs/dbraw/zinc/52/23/07/590522307.db2.gz AFSFUSDCYNEITO-AGIUHOORSA-N 0 1 239.359 2.197 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CCCC(C)(C)O2)[C@H]1C ZINC000878197841 590522560 /nfs/dbraw/zinc/52/25/60/590522560.db2.gz QLLRAQZOAXVALH-AVGNSLFASA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CC3(CCC3)CO2)[C@H]1C ZINC000878198459 590523493 /nfs/dbraw/zinc/52/34/93/590523493.db2.gz WSUULVZGPFCYPI-AVGNSLFASA-N 0 1 239.359 2.055 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@H]1CCC(C)(C)CO1 ZINC000878263503 590530819 /nfs/dbraw/zinc/53/08/19/590530819.db2.gz LXPBMEKPIQEBSO-LBPRGKRZSA-N 0 1 237.347 2.047 20 0 BEADMN C=C/C=C/CCN1CCO[C@@H](COC(C)C)C1 ZINC000878448961 590569685 /nfs/dbraw/zinc/56/96/85/590569685.db2.gz XKUBQUSYTWPPGT-VBROQKIQSA-N 0 1 239.359 2.245 20 0 BEADMN CN1CCN(Cc2coc(C3CC3)n2)CC1(C)C ZINC000878551038 590590880 /nfs/dbraw/zinc/59/08/80/590590880.db2.gz KALGWEJTUKHILN-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN C(CC1CC1)CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000878606488 590594913 /nfs/dbraw/zinc/59/49/13/590594913.db2.gz PRZNTEOCAVILKZ-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN CCN(CC(C)=O)[C@H](C)[C@H](O)c1ccccc1 ZINC000878635714 590598549 /nfs/dbraw/zinc/59/85/49/590598549.db2.gz OQBRVKFJCKWHDF-OCCSQVGLSA-N 0 1 235.327 2.019 20 0 BEADMN F[C@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878663511 590605584 /nfs/dbraw/zinc/60/55/84/590605584.db2.gz KHIDUACZEKHRQV-QWRGUYRKSA-N 0 1 213.296 2.132 20 0 BEADMN CC1(C)CCN(CCCC2CC2)CC[S@]1=O ZINC000878682334 590608474 /nfs/dbraw/zinc/60/84/74/590608474.db2.gz IIRIQEBRWRDMTR-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)[C@H](O)CCN1CCC=C(Cl)C1 ZINC000878790348 590622548 /nfs/dbraw/zinc/62/25/48/590622548.db2.gz RBVORSGDQWHPRL-LLVKDONJSA-N 0 1 217.740 2.222 20 0 BEADMN ClC1=CCCN(CCCn2ccnc2)C1 ZINC000878792337 590623345 /nfs/dbraw/zinc/62/33/45/590623345.db2.gz OWQFQXFCNATCRZ-UHFFFAOYSA-N 0 1 225.723 2.102 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(Cc2cscn2)C[C@@H]1C ZINC000878838615 590629419 /nfs/dbraw/zinc/62/94/19/590629419.db2.gz UAUPVBQUVZKYJP-PHIMTYICSA-N 0 1 239.388 2.058 20 0 BEADMN C[N@H+]1CCN(C/C=C\Cl)C[C@@H]1C(C)(C)C ZINC000878841786 590630809 /nfs/dbraw/zinc/63/08/09/590630809.db2.gz ZGMOHFAAWYLMQD-ISALQUGTSA-N 0 1 230.783 2.401 20 0 BEADMN C[C@@H]1CCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879024765 590679459 /nfs/dbraw/zinc/67/94/59/590679459.db2.gz ONPRBISCAWOSHB-BREBYQMCSA-N 0 1 247.342 2.087 20 0 BEADMN FCC[C@H]1CN(CCCC2CC2)CCO1 ZINC000879054437 590688920 /nfs/dbraw/zinc/68/89/20/590688920.db2.gz PYBWXFUAVKTQIG-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879173765 590708028 /nfs/dbraw/zinc/70/80/28/590708028.db2.gz SSHPJBLYGPXKIO-NOZJJQNGSA-N 0 1 247.342 2.087 20 0 BEADMN CO[C@H](CC(C)C)CN(C)Cc1c[nH]nc1C ZINC000879188655 590710806 /nfs/dbraw/zinc/71/08/06/590710806.db2.gz PHNQBPYJZPZSQL-CYBMUJFWSA-N 0 1 239.363 2.211 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@]12C[C@H]1CCCC2 ZINC000879264821 590724898 /nfs/dbraw/zinc/72/48/98/590724898.db2.gz ARUIPPAJBLERPU-WDMOLILDSA-N 0 1 246.358 2.117 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000879324229 590744525 /nfs/dbraw/zinc/74/45/25/590744525.db2.gz FXMXMQGZQJGYGZ-GXFFZTMASA-N 0 1 238.306 2.220 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@H](C2CCC2)CC1 ZINC000879426660 590767136 /nfs/dbraw/zinc/76/71/36/590767136.db2.gz OGHJJCYTTRBLPE-STQMWFEESA-N 0 1 237.343 2.204 20 0 BEADMN OCCCN1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477995 590777291 /nfs/dbraw/zinc/77/72/91/590777291.db2.gz GERNJOKHOTYUGH-AWEZNQCLSA-N 0 1 237.318 2.330 20 0 BEADMN c1n[nH]nc1S[C@H]1CCc2ccccc2C1 ZINC000127796463 590779166 /nfs/dbraw/zinc/77/91/66/590779166.db2.gz WVWZFEMCOSDAGR-NSHDSACASA-N 0 1 231.324 2.454 20 0 BEADMN CCc1nnc(CN2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000879528221 590790124 /nfs/dbraw/zinc/79/01/24/590790124.db2.gz POFUANWAEIXNBA-PHIMTYICSA-N 0 1 233.315 2.030 20 0 BEADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000127910764 590842199 /nfs/dbraw/zinc/84/21/99/590842199.db2.gz LZWYFAXEBDXDII-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000127987709 590864706 /nfs/dbraw/zinc/86/47/06/590864706.db2.gz KBYVKHIBAHIRTR-PSASIEDQSA-N 0 1 233.271 2.390 20 0 BEADMN CNC(=O)CN(CCC1CC1)Cc1ccccc1 ZINC000879754121 590865064 /nfs/dbraw/zinc/86/50/64/590865064.db2.gz LRCLHMQYYVBBTG-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN COCC1(N(C)Cc2ccns2)CCC1 ZINC000880184443 590952623 /nfs/dbraw/zinc/95/26/23/590952623.db2.gz GJWPMTLQMOOPOF-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN COCC1(N(C)Cc2cncc(F)c2)CCC1 ZINC000880185196 590952799 /nfs/dbraw/zinc/95/27/99/590952799.db2.gz ISJFUOWUVJTSTE-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H](CC(=O)Nc1cccc2[nH]nnc21)C1CC1 ZINC000880195752 590956965 /nfs/dbraw/zinc/95/69/65/590956965.db2.gz VHKLSGUORBPFFS-MRVPVSSYSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@H](c1cnccn1)N1CCC[C@H](CF)C1 ZINC000880236546 590967063 /nfs/dbraw/zinc/96/70/63/590967063.db2.gz BDEAFPHMSRWCEI-GHMZBOCLSA-N 0 1 223.295 2.219 20 0 BEADMN C[C@@H](c1cnccn1)N1CCC[C@H](CF)C1 ZINC000880236549 590967069 /nfs/dbraw/zinc/96/70/69/590967069.db2.gz BDEAFPHMSRWCEI-WDEREUQCSA-N 0 1 223.295 2.219 20 0 BEADMN Cc1nocc1CN1CCC[C@H](CF)C1 ZINC000880237914 590969104 /nfs/dbraw/zinc/96/91/04/590969104.db2.gz KQZPYGDSFGBVPB-SNVBAGLBSA-N 0 1 212.268 2.165 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@H](CF)C2)n[nH]1 ZINC000880237997 590969796 /nfs/dbraw/zinc/96/97/96/590969796.db2.gz MLJDAPZEFNXIIR-NXEZZACHSA-N 0 1 240.326 2.110 20 0 BEADMN Cc1ccc(CN2CCC(F)CC2)cn1 ZINC000880238410 590970407 /nfs/dbraw/zinc/97/04/07/590970407.db2.gz FIACGZKOYQFGDY-UHFFFAOYSA-N 0 1 208.280 2.324 20 0 BEADMN Cc1nc(C)c(CN2CCC(F)CC2)o1 ZINC000880240145 590973439 /nfs/dbraw/zinc/97/34/39/590973439.db2.gz NCPOTWBIOFCAHI-UHFFFAOYSA-N 0 1 212.268 2.225 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(F)CC1 ZINC000880242646 590975426 /nfs/dbraw/zinc/97/54/26/590975426.db2.gz GQLUOURNRHACBC-MNOVXSKESA-N 0 1 244.354 2.114 20 0 BEADMN FC(F)(F)c1ncn2c1CN(CC1CC1)CC2 ZINC000880269047 590981787 /nfs/dbraw/zinc/98/17/87/590981787.db2.gz CIWAVCGSGFBLAL-UHFFFAOYSA-N 0 1 245.248 2.128 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](CF)C1 ZINC000880298565 590993082 /nfs/dbraw/zinc/99/30/82/590993082.db2.gz FATRIYKWQNIOKV-QWRGUYRKSA-N 0 1 245.338 2.398 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](CF)C2)o1 ZINC000880299392 590994636 /nfs/dbraw/zinc/99/46/36/590994636.db2.gz SARQWXSUFAXJJL-ZJUUUORDSA-N 0 1 212.268 2.335 20 0 BEADMN FC[C@@H]1CCN(Cc2cccc(F)n2)C1 ZINC000880299947 590995199 /nfs/dbraw/zinc/99/51/99/590995199.db2.gz MUAFZVNLXQLUAJ-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN CC[C@H](C)CNC1(c2ncccn2)CCC1 ZINC000880365203 591010695 /nfs/dbraw/zinc/01/06/95/591010695.db2.gz FKTDTVAYSMYHMG-NSHDSACASA-N 0 1 219.332 2.492 20 0 BEADMN CC(C)CNC1(c2ncccn2)CCC1 ZINC000880364958 591011381 /nfs/dbraw/zinc/01/13/81/591011381.db2.gz YLLFZSLGOREVLF-UHFFFAOYSA-N 0 1 205.305 2.101 20 0 BEADMN OCC1(NC/C(Cl)=C\Cl)CCCC1 ZINC000211247096 591152322 /nfs/dbraw/zinc/15/23/22/591152322.db2.gz YMMKZSJFYDDKBH-VMPITWQZSA-N 0 1 224.131 2.200 20 0 BEADMN CN[C@@H](C)c1cn(CC2CC3(CCC3)C2)nn1 ZINC000881426762 591204217 /nfs/dbraw/zinc/20/42/17/591204217.db2.gz RBLMWLPHMJXAQY-JTQLQIEISA-N 0 1 234.347 2.139 20 0 BEADMN CNC(C)(C)c1cn(C/C(Cl)=C/Cl)nn1 ZINC000881429717 591205494 /nfs/dbraw/zinc/20/54/94/591205494.db2.gz UVSAYJDOQCWYCJ-DAXSKMNVSA-N 0 1 249.145 2.052 20 0 BEADMN CNC(C)(C)c1cn(C/C(Cl)=C\Cl)nn1 ZINC000881429718 591205643 /nfs/dbraw/zinc/20/56/43/591205643.db2.gz UVSAYJDOQCWYCJ-QPJJXVBHSA-N 0 1 249.145 2.052 20 0 BEADMN CCC[C@@H](C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC000881530023 591230542 /nfs/dbraw/zinc/23/05/42/591230542.db2.gz NFGCLNUGEBRLCY-SNVBAGLBSA-N 0 1 237.347 2.203 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC[C@]1(C)CC1(C)C ZINC000881541970 591234755 /nfs/dbraw/zinc/23/47/55/591234755.db2.gz JIOVUAMRIDLNTJ-FZMZJTMJSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CC1CCCCC1 ZINC000882477126 591354795 /nfs/dbraw/zinc/35/47/95/591354795.db2.gz HBJMEWYUAZODMX-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000882487166 591364368 /nfs/dbraw/zinc/36/43/68/591364368.db2.gz AXXFBSPZKYMODX-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(CC)CC(=O)NC[C@H]1CCN1CC ZINC000882488995 591365799 /nfs/dbraw/zinc/36/57/99/591365799.db2.gz KORPCZJRVKIDCX-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCCC(CCC)C(=O)NC[C@@H]1CCN1CC ZINC000882488600 591365962 /nfs/dbraw/zinc/36/59/62/591365962.db2.gz HHEDOFPRCMBTEM-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC000882492736 591371101 /nfs/dbraw/zinc/37/11/01/591371101.db2.gz VJXNJNHTYPMHFQ-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC(C)(C)CC(=O)NC[C@H]1CCN1CC ZINC000882492404 591371188 /nfs/dbraw/zinc/37/11/88/591371188.db2.gz REMDOJQGVWFMPY-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC000882492831 591371386 /nfs/dbraw/zinc/37/13/86/591371386.db2.gz TWQVNKQOQDSHIO-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@H](C)CCC(=O)NC[C@H]1CCN1CC ZINC000882492898 591371473 /nfs/dbraw/zinc/37/14/73/591371473.db2.gz URUVNVLSNOXHNY-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NC[C@H]1CCN1CC ZINC000882492799 591371573 /nfs/dbraw/zinc/37/15/73/591371573.db2.gz SEAYHVBUVVQPGF-TZMCWYRMSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CCCCC(C)C ZINC000882494041 591374101 /nfs/dbraw/zinc/37/41/01/591374101.db2.gz NKTJBTDCFXTJHA-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)c1c[nH]c(CNCCOC(C)(C)C)n1 ZINC000882943429 591480860 /nfs/dbraw/zinc/48/08/60/591480860.db2.gz SAPRHNCBMJKVOR-UHFFFAOYSA-N 0 1 239.363 2.438 20 0 BEADMN CCN1CC[C@H]1CNc1ncc(Cl)s1 ZINC000882958735 591486215 /nfs/dbraw/zinc/48/62/15/591486215.db2.gz IYUVXJVPBSEZJZ-ZETCQYMHSA-N 0 1 231.752 2.303 20 0 BEADMN CCCC(N)=NOCCCOC(F)(F)F ZINC000882967921 591487093 /nfs/dbraw/zinc/48/70/93/591487093.db2.gz WSLOFKRFXAMDIP-UHFFFAOYSA-N 0 1 228.214 2.211 20 0 BEADMN CC(C)c1c[nH]c(CNCCOC2CCC2)n1 ZINC000883021119 591518170 /nfs/dbraw/zinc/51/81/70/591518170.db2.gz JFUWAAAHUSSFLL-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CCSC2)n1 ZINC000883020271 591518255 /nfs/dbraw/zinc/51/82/55/591518255.db2.gz XCBYBLCMIAPKID-SECBINFHSA-N 0 1 225.361 2.128 20 0 BEADMN Cc1cc(CN[C@@H]2CCO[C@@H](C3CC3)C2)no1 ZINC000883088759 591538712 /nfs/dbraw/zinc/53/87/12/591538712.db2.gz PLNNWFZLFYRRAY-DGCLKSJQSA-N 0 1 236.315 2.030 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883122729 591543727 /nfs/dbraw/zinc/54/37/27/591543727.db2.gz XMXHXAYUMHWVIT-NXEZZACHSA-N 0 1 225.336 2.046 20 0 BEADMN CC[C@](C)(CNCc1nc(C(C)C)c[nH]1)OC ZINC000883134432 591547651 /nfs/dbraw/zinc/54/76/51/591547651.db2.gz YAWMWLNCYOZZMT-CYBMUJFWSA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1c[nH]c(CN[C@]23CCC[C@H]2OCC3)n1 ZINC000883199451 591570223 /nfs/dbraw/zinc/57/02/23/591570223.db2.gz FGIMZGIOGJWNAV-OCCSQVGLSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1c(Cl)c(CNC[C@H]2C=CCC2)nn1C ZINC000883237035 591582753 /nfs/dbraw/zinc/58/27/53/591582753.db2.gz PZYRRMBITYPQCL-JTQLQIEISA-N 0 1 239.750 2.438 20 0 BEADMN c1cc(CCNCc2cn(C3CC3)cn2)sn1 ZINC000883239577 591584985 /nfs/dbraw/zinc/58/49/85/591584985.db2.gz MLVORAZOSJDYNE-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN CCn1nc(C)c(CNCC2(CC3CC3)CC2)n1 ZINC000883248840 591590265 /nfs/dbraw/zinc/59/02/65/591590265.db2.gz IBMFSCCZHQWFSV-UHFFFAOYSA-N 0 1 248.374 2.276 20 0 BEADMN CC[C@@H](C)NC1(c2ncccn2)CCC1 ZINC000883313649 591612352 /nfs/dbraw/zinc/61/23/52/591612352.db2.gz JDMJMZQZBICSRS-SNVBAGLBSA-N 0 1 205.305 2.244 20 0 BEADMN C/C(=C/C[N@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000214562423 591634382 /nfs/dbraw/zinc/63/43/82/591634382.db2.gz WQWAYPUIJYFZMG-YHYXMXQVSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883404928 591650154 /nfs/dbraw/zinc/65/01/54/591650154.db2.gz UDPWFKSZAGMPTL-NXEZZACHSA-N 0 1 247.285 2.218 20 0 BEADMN C=C/C=C\CC[N@H+](CC(=O)[O-])C1CCC1 ZINC000883408920 591651160 /nfs/dbraw/zinc/65/11/60/591651160.db2.gz JPZMKUDLGJSCOX-ARJAWSKDSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000883409458 591651567 /nfs/dbraw/zinc/65/15/67/591651567.db2.gz XGNUAEJIPBUCST-WQMVXFAESA-N 0 1 209.289 2.056 20 0 BEADMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)cc1O ZINC000131758960 591651635 /nfs/dbraw/zinc/65/16/35/591651635.db2.gz YMXAIESTWDLUCT-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCn1cc(CN2CCC[C@H]2C(C)(C)C)nn1 ZINC000884001485 591791155 /nfs/dbraw/zinc/79/11/55/591791155.db2.gz QIVSBIXIPBIBJA-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000884001059 591791630 /nfs/dbraw/zinc/79/16/30/591791630.db2.gz XSBRPZHBCMPOAS-QWRGUYRKSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCN[C@H](C)C1 ZINC000884031075 591814663 /nfs/dbraw/zinc/81/46/63/591814663.db2.gz FUDWKRDRQZAHAV-YRGRVCCFSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135261698 592000388 /nfs/dbraw/zinc/00/03/88/592000388.db2.gz YMWOBTMJDNJPBA-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000135395109 592010652 /nfs/dbraw/zinc/01/06/52/592010652.db2.gz RLKJAOKFSCSONY-HYHWUIIZSA-N 0 1 231.361 2.091 20 0 BEADMN CC(C)COC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885259688 592061159 /nfs/dbraw/zinc/06/11/59/592061159.db2.gz ARICJOQZBDMDOJ-SKDRFNHKSA-N 0 1 236.315 2.275 20 0 BEADMN CC[C@H](C)OC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885261013 592061196 /nfs/dbraw/zinc/06/11/96/592061196.db2.gz HUUOYZGSNTXZIQ-VDDIYKPWSA-N 0 1 236.315 2.417 20 0 BEADMN CC[C@H](C)OC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885261010 592061589 /nfs/dbraw/zinc/06/15/89/592061589.db2.gz HUUOYZGSNTXZIQ-AUTRQRHGSA-N 0 1 236.315 2.417 20 0 BEADMN C/C=C/COC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885258466 592061722 /nfs/dbraw/zinc/06/17/22/592061722.db2.gz HOMSFJAFIQIKNW-XDZSDZFDSA-N 0 1 234.299 2.195 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@H](C)CO1 ZINC000885940116 592111198 /nfs/dbraw/zinc/11/11/98/592111198.db2.gz BHVPMQAYSWHRSA-RFHZTLPTSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)[C@H](C)CO1 ZINC000885940116 592111200 /nfs/dbraw/zinc/11/12/00/592111200.db2.gz BHVPMQAYSWHRSA-RFHZTLPTSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1ccc(CN(C)C[C@](C)(O)C(F)F)o1 ZINC000885944025 592111772 /nfs/dbraw/zinc/11/17/72/592111772.db2.gz JGCADTCPKYFDNC-NSHDSACASA-N 0 1 233.258 2.036 20 0 BEADMN Cc1[nH]nc(CNc2cnn(C(C)C)c2)c1C ZINC000885965751 592117383 /nfs/dbraw/zinc/11/73/83/592117383.db2.gz UPQZIAHEHDTJCO-UHFFFAOYSA-N 0 1 233.319 2.416 20 0 BEADMN COc1ccncc1NCc1n[nH]c(C)c1C ZINC000886041932 592139175 /nfs/dbraw/zinc/13/91/75/592139175.db2.gz SLMHUEOHPQFNKU-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN Cc1[nH]nc(CNc2cnn(CC3CC3)c2)c1C ZINC000886049869 592140287 /nfs/dbraw/zinc/14/02/87/592140287.db2.gz XFDPZDUTQFRVIA-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@H]1CCC2(CCC2)CO1 ZINC000886073308 592144222 /nfs/dbraw/zinc/14/42/22/592144222.db2.gz SPNUPDZDIARKGZ-CYBMUJFWSA-N 0 1 249.358 2.191 20 0 BEADMN C[C@H]1CCOCCN1CCSC(F)(F)F ZINC000886114622 592156115 /nfs/dbraw/zinc/15/61/15/592156115.db2.gz SZKSKVQXBYRPQR-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1[nH]nc(CNc2cc(C3CC3)n(C)n2)c1C ZINC000886121065 592157965 /nfs/dbraw/zinc/15/79/65/592157965.db2.gz ULLBXVXJNICUBG-UHFFFAOYSA-N 0 1 245.330 2.250 20 0 BEADMN CCc1noc(C)c1CNCc1n[nH]c(C)c1C ZINC000886125454 592159136 /nfs/dbraw/zinc/15/91/36/592159136.db2.gz SADXVBPZHSUOQP-UHFFFAOYSA-N 0 1 248.330 2.175 20 0 BEADMN Cc1[nH]nc(CN[C@H](C)c2ccns2)c1C ZINC000886173038 592169526 /nfs/dbraw/zinc/16/95/26/592169526.db2.gz DMLINCFQSDSBRP-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN COc1cncc(NCc2n[nH]c(C)c2C)c1 ZINC000886173541 592169727 /nfs/dbraw/zinc/16/97/27/592169727.db2.gz RZSSENVMIVBQFW-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN Cc1cn[nH]c1CN1CCC=C(Cl)C1 ZINC000886267996 592191147 /nfs/dbraw/zinc/19/11/47/592191147.db2.gz ZHGVPUCTJCSHPZ-UHFFFAOYSA-N 0 1 211.696 2.047 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H](C)c2ncco2)CCO1 ZINC000886272353 592192625 /nfs/dbraw/zinc/19/26/25/592192625.db2.gz NUIVLKAASAOVHY-GMTAPVOTSA-N 0 1 224.304 2.283 20 0 BEADMN Cc1nc(CNC[C@@H]2CC3(CCC3)CO2)[nH]c1C ZINC000886287720 592200935 /nfs/dbraw/zinc/20/09/35/592200935.db2.gz YQMJGEJSYXWUMH-LBPRGKRZSA-N 0 1 249.358 2.075 20 0 BEADMN c1nc(CNC[C@H]2CC3(CCC3)CO2)cs1 ZINC000886289405 592201697 /nfs/dbraw/zinc/20/16/97/592201697.db2.gz VCSZQGJGKLXCTQ-LLVKDONJSA-N 0 1 238.356 2.192 20 0 BEADMN CCc1oc(C(=O)OC)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886336181 592211575 /nfs/dbraw/zinc/21/15/75/592211575.db2.gz NRCYEWVRDSHHNB-AOOOYVTPSA-N 0 1 249.310 2.080 20 0 BEADMN Fc1cccc2c1CC[C@H]2NCc1cncnc1 ZINC000886363922 592218014 /nfs/dbraw/zinc/21/80/14/592218014.db2.gz IRCHBIFSTHLJIC-CQSZACIVSA-N 0 1 243.285 2.393 20 0 BEADMN Cc1cc(C(=O)N(CC(C)C)C(C)C)n[nH]1 ZINC000066645700 592225657 /nfs/dbraw/zinc/22/56/57/592225657.db2.gz LCNMDABEAAGPLP-UHFFFAOYSA-N 0 1 223.320 2.225 20 0 BEADMN COCCCCCN[C@H](C)c1ncco1 ZINC000886531025 592247810 /nfs/dbraw/zinc/24/78/10/592247810.db2.gz VKAWRBUXZSFZPZ-SNVBAGLBSA-N 0 1 212.293 2.142 20 0 BEADMN CCSCCCN[C@H](C)c1ncco1 ZINC000886532160 592248650 /nfs/dbraw/zinc/24/86/50/592248650.db2.gz FAIISCJSUUCNCJ-SECBINFHSA-N 0 1 214.334 2.468 20 0 BEADMN C[C@H](Cc1ccncc1)N[C@@H](C)c1ncco1 ZINC000886538662 592253101 /nfs/dbraw/zinc/25/31/01/592253101.db2.gz MADBHEDCVREKSJ-MNOVXSKESA-N 0 1 231.299 2.351 20 0 BEADMN C[C@@H](NCCC[C@@H]1CCOC1)c1ncco1 ZINC000886539350 592253571 /nfs/dbraw/zinc/25/35/71/592253571.db2.gz YHGKOKSIFVPKBQ-GHMZBOCLSA-N 0 1 224.304 2.142 20 0 BEADMN CC(C)=CC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886589519 592270321 /nfs/dbraw/zinc/27/03/21/592270321.db2.gz YAXUUVGVENPSTQ-CYBMUJFWSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc[nH+]c(N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000886916695 592395006 /nfs/dbraw/zinc/39/50/06/592395006.db2.gz YQDNZLXJJRLJKR-LLVKDONJSA-N 0 1 234.299 2.224 20 0 BEADMN CCOC(=O)c1ccc(CN(C)CCCF)o1 ZINC000887141503 592457577 /nfs/dbraw/zinc/45/75/77/592457577.db2.gz XAHXHLLHZIHINW-UHFFFAOYSA-N 0 1 243.278 2.248 20 0 BEADMN CNC(C)(C)c1cn(CC[C@@H]2C[C@H]2C2CC2)nn1 ZINC000887459318 592508560 /nfs/dbraw/zinc/50/85/60/592508560.db2.gz XEYVIVKGPGJJME-NEPJUHHUSA-N 0 1 248.374 2.169 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H]2C2CCCC2)n[nH]1 ZINC000889397182 592607429 /nfs/dbraw/zinc/60/74/29/592607429.db2.gz WYVPNHBFLZLLRX-ZDUSSCGKSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@@H](C(=O)NC[C@@H]1CCC=CCCC1)N(C)C ZINC000890047537 592670565 /nfs/dbraw/zinc/67/05/65/592670565.db2.gz SMTTZFYGYRQCOA-QWHCGFSZSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)(CNC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000738751383 602665464 /nfs/dbraw/zinc/66/54/64/602665464.db2.gz UUWAPPWEAKTRSR-UHFFFAOYSA-N 0 1 248.326 2.091 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739358945 603345839 /nfs/dbraw/zinc/34/58/39/603345839.db2.gz SKPYIQZDTVUMLI-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN Cc1csc([C@H]2CCC[N@H+]2[C@H](C)C(=O)[O-])n1 ZINC000309796412 597058767 /nfs/dbraw/zinc/05/87/67/597058767.db2.gz VMBJHJHHPSJWHR-RKDXNWHRSA-N 0 1 240.328 2.062 20 0 BEADMN Cc1csc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)[O-])n1 ZINC000309796412 597058771 /nfs/dbraw/zinc/05/87/71/597058771.db2.gz VMBJHJHHPSJWHR-RKDXNWHRSA-N 0 1 240.328 2.062 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccsc1)C1CC1 ZINC000042469007 597072797 /nfs/dbraw/zinc/07/27/97/597072797.db2.gz FWWFUEHEFDPGEV-MRVPVSSYSA-N 0 1 225.313 2.186 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251761042 597073386 /nfs/dbraw/zinc/07/33/86/597073386.db2.gz DPAZYZOGYPLOPC-FXPVBKGRSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251761042 597073391 /nfs/dbraw/zinc/07/33/91/597073391.db2.gz DPAZYZOGYPLOPC-FXPVBKGRSA-N 0 1 237.299 2.308 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000083413899 597530046 /nfs/dbraw/zinc/53/00/46/597530046.db2.gz JIIVBRHLYDAJLR-SNVBAGLBSA-N 0 1 239.340 2.271 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000054300214 598151080 /nfs/dbraw/zinc/15/10/80/598151080.db2.gz WZVATHYEDJNKNA-SNVBAGLBSA-N 0 1 239.340 2.435 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1Cl ZINC000167113928 598161768 /nfs/dbraw/zinc/16/17/68/598161768.db2.gz BHSYPJUXJURSRR-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCC(=O)[O-] ZINC000820200043 598205637 /nfs/dbraw/zinc/20/56/37/598205637.db2.gz UHBPFQJYLIGCFV-SECBINFHSA-N 0 1 248.282 2.295 20 0 BEADMN Cc1csc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])n1 ZINC000087393117 598208634 /nfs/dbraw/zinc/20/86/34/598208634.db2.gz VWCNKWXXCMAWQS-VIFPVBQESA-N 0 1 242.344 2.040 20 0 BEADMN Cc1cccc(CNc2cc(C(=O)[O-])cc[nH+]2)n1 ZINC000051577152 598218891 /nfs/dbraw/zinc/21/88/91/598218891.db2.gz XNXSVICAVRUVHZ-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330400 599848886 /nfs/dbraw/zinc/84/88/86/599848886.db2.gz JOTNTAALPGABJT-QMMMGPOBSA-N 0 1 223.272 2.208 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C2CC2)o1 ZINC000706432093 599964689 /nfs/dbraw/zinc/96/46/89/599964689.db2.gz OTBBBNUHZHRBLJ-NSHDSACASA-N 0 1 235.283 2.352 20 0 BEADMN CCC[N@@H+](CCCC(=O)[O-])CC(C)C ZINC000308524455 600226871 /nfs/dbraw/zinc/22/68/71/600226871.db2.gz ZZNQXZYLAWETSP-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN C[N@@H+](Cc1ccc(F)c(F)c1)C(C)(C)C(=O)[O-] ZINC000086762264 600309249 /nfs/dbraw/zinc/30/92/49/600309249.db2.gz WRUBACDGKNAVGG-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN Cn1cccc1[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000739044084 600317398 /nfs/dbraw/zinc/31/73/98/600317398.db2.gz YEUSLNCRSRVMIS-LBPRGKRZSA-N 0 1 236.315 2.027 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000689101491 600375894 /nfs/dbraw/zinc/37/58/94/600375894.db2.gz JFDNZLCYSQUPFZ-QJPTWQEYSA-N 0 1 243.347 2.129 20 0 BEADMN Cc1[nH+]ccn1CCCS[C@@H](C)CC(=O)[O-] ZINC000699503260 600584371 /nfs/dbraw/zinc/58/43/71/600584371.db2.gz IMUTWURODGIBIA-VIFPVBQESA-N 0 1 242.344 2.178 20 0 BEADMN Cc1[nH+]ccn1CCCSC[C@H](C)C(=O)[O-] ZINC000699506993 600597878 /nfs/dbraw/zinc/59/78/78/600597878.db2.gz XRBNZMMLMTWMLP-VIFPVBQESA-N 0 1 242.344 2.036 20 0 BEADMN C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000049354460 600733878 /nfs/dbraw/zinc/73/38/78/600733878.db2.gz CQRUHVNHCZJOCY-MFKMUULPSA-N 0 1 245.278 2.432 20 0 BEADMN CCC[N@@H+](CCc1cccs1)CC(=O)[O-] ZINC000082602641 600739912 /nfs/dbraw/zinc/73/99/12/600739912.db2.gz QVFCUZQOCQQQJM-UHFFFAOYSA-N 0 1 227.329 2.087 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000309325381 601042398 /nfs/dbraw/zinc/04/23/98/601042398.db2.gz GHKHFPKWJATUTR-JFGNBEQYSA-N 0 1 219.284 2.153 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccc(C)o1)C(=O)[O-] ZINC000084002371 601153070 /nfs/dbraw/zinc/15/30/70/601153070.db2.gz UYRGDVMVJGOBHF-TWGQIWQCSA-N 0 1 223.272 2.051 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000084002456 601155954 /nfs/dbraw/zinc/15/59/54/601155954.db2.gz SUDMMQCOOAZPSY-SDKXAQGSSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@@H]1C(C)C)C(=O)[O-] ZINC000084126542 601157960 /nfs/dbraw/zinc/15/79/60/601157960.db2.gz IXFCIXKWHOROLB-SDKXAQGSSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@H](C)CC1)C(=O)[O-] ZINC000084003077 601159706 /nfs/dbraw/zinc/15/97/06/601159706.db2.gz FLMRPQKXUGCTIY-OYUORYAFSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@@H](CC(C)C)C1)C(=O)[O-] ZINC000307825886 601180040 /nfs/dbraw/zinc/18/00/40/601180040.db2.gz WCEMYUNFGZGEJF-QNCMIEPLSA-N 0 1 225.332 2.385 20 0 BEADMN C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC000258942297 601306745 /nfs/dbraw/zinc/30/67/45/601306745.db2.gz TVOUOUYUOUBGHV-UHFFFAOYSA-N 0 1 244.294 2.345 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000706765719 601339410 /nfs/dbraw/zinc/33/94/10/601339410.db2.gz ZYWQHFZEODSNMS-QWHCGFSZSA-N 0 1 231.295 2.369 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000086010476 601428488 /nfs/dbraw/zinc/42/84/88/601428488.db2.gz SYKMFLHGWIALOB-DTORHVGOSA-N 0 1 223.272 2.066 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@@H]1C ZINC000380624127 601449267 /nfs/dbraw/zinc/44/92/67/601449267.db2.gz HHCILFDVODXVTK-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085611606 601889615 /nfs/dbraw/zinc/88/96/15/601889615.db2.gz NRJONXWZWHMDQY-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739056746 601957267 /nfs/dbraw/zinc/95/72/67/601957267.db2.gz FUTMBLHUIAHWRV-NEPJUHHUSA-N 0 1 248.326 2.337 20 0 BEADMN CC[N@@H+](CC1CCN(C(=O)[O-])CC1)C(C)C ZINC000739415415 602041388 /nfs/dbraw/zinc/04/13/88/602041388.db2.gz VJDKXNNDSPBLFD-UHFFFAOYSA-N 0 1 228.336 2.107 20 0 BEADMN Cc1csc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000395800745 602050319 /nfs/dbraw/zinc/05/03/19/602050319.db2.gz FXSQJNZIGUTJEL-SECBINFHSA-N 0 1 242.344 2.040 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCC[C@H]21 ZINC000706954566 602206844 /nfs/dbraw/zinc/20/68/44/602206844.db2.gz ALQXFMRDFWCMTO-GMTAPVOTSA-N 0 1 211.305 2.114 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000706965681 602206982 /nfs/dbraw/zinc/20/69/82/602206982.db2.gz NVAKNLQYKRDUML-UPJWGTAASA-N 0 1 231.295 2.297 20 0 BEADMN CC(C)[N@@H+](CC1CCN(C(=O)[O-])CC1)C1CC1 ZINC000738837922 602257086 /nfs/dbraw/zinc/25/70/86/602257086.db2.gz UNMGXQMMWOZDKV-UHFFFAOYSA-N 0 1 240.347 2.249 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739298162 602257907 /nfs/dbraw/zinc/25/79/07/602257907.db2.gz COMDNVKFJBBNGZ-LLVKDONJSA-N 0 1 242.363 2.497 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[O-])c1 ZINC000740171329 602557746 /nfs/dbraw/zinc/55/77/46/602557746.db2.gz QRBJODKKEFFYMC-LLVKDONJSA-N 0 1 236.315 2.083 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000740635942 602679231 /nfs/dbraw/zinc/67/92/31/602679231.db2.gz VYIVMSOPZOSAPB-NEPJUHHUSA-N 0 1 238.331 2.075 20 0 BEADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000739584620 602737627 /nfs/dbraw/zinc/73/76/27/602737627.db2.gz LNQWDGYDIBOWGG-NSHDSACASA-N 0 1 242.363 2.497 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000739081123 602801000 /nfs/dbraw/zinc/80/10/00/602801000.db2.gz PXRUKJHYLPAFCT-MNOVXSKESA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056439 602820162 /nfs/dbraw/zinc/82/01/62/602820162.db2.gz FAQOZAMSHRKQCU-GFCCVEGCSA-N 0 1 248.326 2.433 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739056440 602820401 /nfs/dbraw/zinc/82/04/01/602820401.db2.gz FAQOZAMSHRKQCU-LBPRGKRZSA-N 0 1 248.326 2.433 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739329907 603022492 /nfs/dbraw/zinc/02/24/92/603022492.db2.gz KIYRGZZLEROAFB-NSHDSACASA-N 0 1 228.336 2.108 20 0 BEADMN C[N@H+](CCNC(=O)[O-])Cc1ccccc1Cl ZINC000739698559 603082532 /nfs/dbraw/zinc/08/25/32/603082532.db2.gz YSWWDQIYSPXZNR-UHFFFAOYSA-N 0 1 242.706 2.039 20 0 BEADMN C[N@@H+](CCNC(=O)[O-])Cc1ccccc1Cl ZINC000739698559 603082536 /nfs/dbraw/zinc/08/25/36/603082536.db2.gz YSWWDQIYSPXZNR-UHFFFAOYSA-N 0 1 242.706 2.039 20 0 BEADMN C[C@H](CNC(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000738937739 603237256 /nfs/dbraw/zinc/23/72/56/603237256.db2.gz FOJPQVSRYAEDKH-UVMWJGKXSA-N 0 1 248.326 2.288 20 0 BEADMN CCCC[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000739335163 603324774 /nfs/dbraw/zinc/32/47/74/603324774.db2.gz YYJMHRIPDPNYLJ-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000738820716 603324966 /nfs/dbraw/zinc/32/49/66/603324966.db2.gz LRENYNXXOYKXED-LBPRGKRZSA-N 0 1 242.363 2.353 20 0 BEADMN CC[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000739413635 603325122 /nfs/dbraw/zinc/32/51/22/603325122.db2.gz HPCBECRKLRWEJM-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN C[N@@H+](C1CCN(C(=O)[O-])CC1)[C@@H]1C=CCCC1 ZINC000828081557 603979865 /nfs/dbraw/zinc/97/98/65/603979865.db2.gz VJIVSWLQTMBUGH-LLVKDONJSA-N 0 1 238.331 2.169 20 0 BEADMN CCCc1[nH+]ccn1Cc1cc(C)c(C(=O)[O-])o1 ZINC000070423677 604353013 /nfs/dbraw/zinc/35/30/13/604353013.db2.gz OOBQTZHEQFMXNH-UHFFFAOYSA-N 0 1 248.282 2.484 20 0 BEADMN C[N@@H+](C/C=C/Cl)C1(C(=O)[O-])CCCC1 ZINC000308658043 604459878 /nfs/dbraw/zinc/45/98/78/604459878.db2.gz OHRWYOIZJRDQCV-QPJJXVBHSA-N 0 1 217.696 2.068 20 0 BEADMN Cc1[nH+]c(N2CC=C(C)CC2)ccc1C(=O)[O-] ZINC000167742371 604462854 /nfs/dbraw/zinc/46/28/54/604462854.db2.gz YCSUTKZLHBQZSK-UHFFFAOYSA-N 0 1 232.283 2.245 20 0 BEADMN CCc1nc(C[NH2+][C@](C)(CC)C(=O)[O-])cs1 ZINC000086799357 604616274 /nfs/dbraw/zinc/61/62/74/604616274.db2.gz UXWWJKYWARNMQI-LLVKDONJSA-N 0 1 242.344 2.048 20 0 BEADMN CCc1nc(C[NH2+][C@@](C)(CC)C(=O)[O-])cs1 ZINC000086799355 604616277 /nfs/dbraw/zinc/61/62/77/604616277.db2.gz UXWWJKYWARNMQI-NSHDSACASA-N 0 1 242.344 2.048 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])o1 ZINC000086791167 604659342 /nfs/dbraw/zinc/65/93/42/604659342.db2.gz DYSLGGWOXYZWDB-JTQLQIEISA-N 0 1 237.299 2.281 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000086779340 604675846 /nfs/dbraw/zinc/67/58/46/604675846.db2.gz OKZGJWZOGDAYLF-ZDUSSCGKSA-N 0 1 237.299 2.139 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000689988024 604676326 /nfs/dbraw/zinc/67/63/26/604676326.db2.gz JGRDMSPUACZMFO-NSHDSACASA-N 0 1 245.363 2.377 20 0 BEADMN C/C(=C/C[N@H+]1CCc2ccsc2C1)C(=O)[O-] ZINC000712302082 604938018 /nfs/dbraw/zinc/93/80/18/604938018.db2.gz KKUYVYLNNZGFAE-MBXJOHMKSA-N 0 1 237.324 2.137 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000707006248 605054499 /nfs/dbraw/zinc/05/44/99/605054499.db2.gz WDORIHXOVWWKMH-HRDYMLBCSA-N 0 1 221.256 2.133 20 0 BEADMN CC(C)(C)C[C@@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC000833423839 605152034 /nfs/dbraw/zinc/15/20/34/605152034.db2.gz KPVPLZRBZOGVGN-SECBINFHSA-N 0 1 242.344 2.122 20 0 BEADMN C/C(=C\C[N@H+](C)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000402615470 605408174 /nfs/dbraw/zinc/40/81/74/605408174.db2.gz WGPLPWRPJANCTH-OBIHZWKSSA-N 0 1 223.316 2.305 20 0 BEADMN CSCC[C@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001258214154 991136023 /nfs/dbraw/zinc/13/60/23/991136023.db2.gz GQJJXTGIFCZTFK-UWVGGRQHSA-N 0 1 233.352 2.131 20 0 BEADMN Cc1[nH+]c(N(C)C2CCCC2)ccc1C(=O)[O-] ZINC000124162443 634393859 /nfs/dbraw/zinc/39/38/59/634393859.db2.gz UNRIRDFRMZMCBI-UHFFFAOYSA-N 0 1 234.299 2.467 20 0 BEADMN Cc1[nH+]c(N2C[C@@H](C)C[C@H]2C)ccc1C(=O)[O-] ZINC000229306776 635468579 /nfs/dbraw/zinc/46/85/79/635468579.db2.gz QAKGYSIIAIFUNZ-DTWKUNHWSA-N 0 1 234.299 2.323 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)CN1CCCC1 ZINC000095862841 635494266 /nfs/dbraw/zinc/49/42/66/635494266.db2.gz KWLBJQLZTIMMSQ-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1ccc2ccccc2c1 ZINC000925864192 635564302 /nfs/dbraw/zinc/56/43/02/635564302.db2.gz ISFRKTRRQHHPKE-IAQYHMDHSA-N 0 1 242.322 2.394 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CCNCC1 ZINC000236674432 635605339 /nfs/dbraw/zinc/60/53/39/635605339.db2.gz JVQCXODFHDNPJV-GFCCVEGCSA-N 0 1 226.364 2.025 20 0 BEADMN CO[C@@H]1CN(C/C=C\Cl)CC[C@@H]1C ZINC000308253238 631218986 /nfs/dbraw/zinc/21/89/86/631218986.db2.gz GZXSDPWRBDEODT-NFXDQBBPSA-N 0 1 203.713 2.096 20 0 BEADMN CC[C@@H](C)CN1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325589 631257042 /nfs/dbraw/zinc/25/70/42/631257042.db2.gz PZYAQVQMKUMLMB-OCCSQVGLSA-N 0 1 246.354 2.206 20 0 BEADMN CCCCCNC1(c2ncccn2)CCOCC1 ZINC000933339502 631286367 /nfs/dbraw/zinc/28/63/67/631286367.db2.gz DVOURSJCUPAKRX-UHFFFAOYSA-N 0 1 249.358 2.262 20 0 BEADMN CO[C@H]1CCCN(Cc2cnc(F)cc2C)C1 ZINC000891690994 631446462 /nfs/dbraw/zinc/44/64/62/631446462.db2.gz DYJPCFDQCWERTQ-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCSCC[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000129871403 631469911 /nfs/dbraw/zinc/46/99/11/631469911.db2.gz PFBOVDFYXZZZPR-GFCCVEGCSA-N 0 1 245.388 2.316 20 0 BEADMN CCN(CC(=O)NC)Cc1c(C)cc(C)cc1C ZINC000065041220 631502305 /nfs/dbraw/zinc/50/23/05/631502305.db2.gz MXOSDWVMNZGDKH-UHFFFAOYSA-N 0 1 248.370 2.180 20 0 BEADMN CC(C)=CCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926266257 631528960 /nfs/dbraw/zinc/52/89/60/631528960.db2.gz SDRJJUIGUXKVFZ-GHMZBOCLSA-N 0 1 220.320 2.230 20 0 BEADMN O=C([O-])CCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916118 631551688 /nfs/dbraw/zinc/55/16/88/631551688.db2.gz ORXHRRWBMXNZDD-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@H]1CO ZINC000934012062 631585865 /nfs/dbraw/zinc/58/58/65/631585865.db2.gz OXIFABXGOMZPJX-SKDRFNHKSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@H](N[C@H](CCO)C1CCCC1)c1ncccn1 ZINC000934013318 631591776 /nfs/dbraw/zinc/59/17/76/631591776.db2.gz APEZYTANKHITBY-WCQYABFASA-N 0 1 249.358 2.068 20 0 BEADMN OC[C@@H]1CCN1[C@H]1CCc2cc(Cl)ccc21 ZINC000934014014 631593235 /nfs/dbraw/zinc/59/32/35/631593235.db2.gz JLOOOKFUFMVYQR-AAEUAGOBSA-N 0 1 237.730 2.394 20 0 BEADMN CC(C)Oc1cccc(CN2CC[C@H]2CO)c1 ZINC000934026348 631605779 /nfs/dbraw/zinc/60/57/79/631605779.db2.gz NLNKZTJWANQYSU-ZDUSSCGKSA-N 0 1 235.327 2.040 20 0 BEADMN Cc1nc(C(C)C)ccc1CN1CC[C@@H]1CO ZINC000934018191 631618797 /nfs/dbraw/zinc/61/87/97/631618797.db2.gz KNDXYUAVCQVJIQ-CYBMUJFWSA-N 0 1 234.343 2.080 20 0 BEADMN Cc1cc(NCc2cnc[nH]2)ccc1N(C)C ZINC000894120849 635671997 /nfs/dbraw/zinc/67/19/97/635671997.db2.gz QAPZAOCKEXACKM-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN Cn1ncc(CNCC(C)(C)C2=CCCC2)n1 ZINC000308762302 631640108 /nfs/dbraw/zinc/64/01/08/631640108.db2.gz FFCZZDSCCDYUND-UHFFFAOYSA-N 0 1 234.347 2.041 20 0 BEADMN COC(OC)[C@H](C)NCc1cc(F)cc(F)c1 ZINC000234595366 631643711 /nfs/dbraw/zinc/64/37/11/631643711.db2.gz LMGUMVOQTDTYCP-QMMMGPOBSA-N 0 1 245.269 2.062 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CC[C@H]2OC)nc1 ZINC000934112285 631687832 /nfs/dbraw/zinc/68/78/32/631687832.db2.gz SFJABKXSXQXBHZ-ZIAGYGMSSA-N 0 1 234.343 2.253 20 0 BEADMN CC(C)(C)OC(=O)[C@@H]1CCN(C/C=C/Cl)C1 ZINC000178509480 631733033 /nfs/dbraw/zinc/73/30/33/631733033.db2.gz MYEPDCYIXNPABM-DFVUYQKZSA-N 0 1 245.750 2.403 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H](C)Cc2cccnc2)o1 ZINC000934232479 631739772 /nfs/dbraw/zinc/73/97/72/631739772.db2.gz ADCXEPIFVAKTIQ-NXEZZACHSA-N 0 1 246.314 2.055 20 0 BEADMN CCCCOC(=O)CN(CCC)C(C)C ZINC000043447838 631792121 /nfs/dbraw/zinc/79/21/21/631792121.db2.gz YKBMQUKFWRSYAX-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CCC[C@](C)(CO)NCc1nc(Cl)cs1 ZINC000309067848 631831121 /nfs/dbraw/zinc/83/11/21/631831121.db2.gz AJPCUPJEIQXZNL-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000309132926 631902919 /nfs/dbraw/zinc/90/29/19/631902919.db2.gz HVIJQSGVAFKAMP-GWCFXTLKSA-N 0 1 227.348 2.465 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000049750737 631911462 /nfs/dbraw/zinc/91/14/62/631911462.db2.gz PUYDSFQVTIQUOF-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H]1CC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000309159800 631914924 /nfs/dbraw/zinc/91/49/24/631914924.db2.gz YMGYGVMYXZICBW-CBAPKCEASA-N 0 1 202.261 2.168 20 0 BEADMN C[C@H]1CC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000309159800 631914927 /nfs/dbraw/zinc/91/49/27/631914927.db2.gz YMGYGVMYXZICBW-CBAPKCEASA-N 0 1 202.261 2.168 20 0 BEADMN CC[C@H](CC(F)F)CN1CC[C@@H](O)[C@@H](F)C1 ZINC000934567656 631933975 /nfs/dbraw/zinc/93/39/75/631933975.db2.gz RASDSNTYFZLCRL-KXUCPTDWSA-N 0 1 239.281 2.073 20 0 BEADMN CCCCC1(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000889532695 631936481 /nfs/dbraw/zinc/93/64/81/631936481.db2.gz OVQWCXHQWSROAP-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN O[C@@H]1CCN([C@@H]2CCc3ccccc32)C[C@H]1F ZINC000934574463 631947500 /nfs/dbraw/zinc/94/75/00/631947500.db2.gz SRTKEAMAKXPWIX-MGPQQGTHSA-N 0 1 235.302 2.079 20 0 BEADMN O[C@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1F ZINC000934581186 631951637 /nfs/dbraw/zinc/95/16/37/631951637.db2.gz MDQWCIWTVDFDTC-KGLIPLIRSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@H]1CCN(CCCc2ccccc2)C[C@H]1F ZINC000934581186 631951650 /nfs/dbraw/zinc/95/16/50/631951650.db2.gz MDQWCIWTVDFDTC-KGLIPLIRSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1F ZINC000934581185 631952666 /nfs/dbraw/zinc/95/26/66/631952666.db2.gz MDQWCIWTVDFDTC-KBPBESRZSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@H]1CCN(CCCc2ccccc2)C[C@@H]1F ZINC000934581185 631952677 /nfs/dbraw/zinc/95/26/77/631952677.db2.gz MDQWCIWTVDFDTC-KBPBESRZSA-N 0 1 237.318 2.024 20 0 BEADMN Cc1nc(CNC[C@H]2CCC=CO2)cs1 ZINC000050269512 631971223 /nfs/dbraw/zinc/97/12/23/631971223.db2.gz CAAQCIUSZWZDKE-LLVKDONJSA-N 0 1 224.329 2.234 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000309352371 632010731 /nfs/dbraw/zinc/01/07/31/632010731.db2.gz BXYFWPCABTWNRX-LLVKDONJSA-N 0 1 239.340 2.353 20 0 BEADMN CSC(C)(C)CNCc1cn(C(C)C)nn1 ZINC000309390056 632022462 /nfs/dbraw/zinc/02/24/62/632022462.db2.gz SCCKMSJUFDSJRG-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@H](C[C@H]1CCOC1)NC(C)(C)C(F)F ZINC000308882704 632078129 /nfs/dbraw/zinc/07/81/29/632078129.db2.gz UVPNWGYZMCKKEZ-RKDXNWHRSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H]1COC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000926467437 632096412 /nfs/dbraw/zinc/09/64/12/632096412.db2.gz RNLOKEWRUIDNMR-GXFFZTMASA-N 0 1 232.327 2.407 20 0 BEADMN CC(F)(F)CN[C@@H]1CCCN2CCCC[C@@H]12 ZINC000926486317 632125607 /nfs/dbraw/zinc/12/56/07/632125607.db2.gz MXTOWSQUKDCYGF-MNOVXSKESA-N 0 1 232.318 2.248 20 0 BEADMN Clc1nc2[nH]cnc2c(NCc2ccoc2)n1 ZINC000126412983 635817477 /nfs/dbraw/zinc/81/74/77/635817477.db2.gz UZKDQFWQZRQIIM-UHFFFAOYSA-N 0 1 249.661 2.211 20 0 BEADMN Cn1cnc(CNCC(C)(C)C(F)(F)F)c1 ZINC000309532215 632474106 /nfs/dbraw/zinc/47/41/06/632474106.db2.gz WFKORQIUSKWGHG-UHFFFAOYSA-N 0 1 235.253 2.098 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000309632612 632594035 /nfs/dbraw/zinc/59/40/35/632594035.db2.gz LAPFHTYQYANNLK-WDEREUQCSA-N 0 1 221.304 2.046 20 0 BEADMN COC1(OC)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000926587154 632594770 /nfs/dbraw/zinc/59/47/70/632594770.db2.gz IUBBBRJMGGSXFH-GMTAPVOTSA-N 0 1 231.311 2.008 20 0 BEADMN Cc1cc(CN[C@H](CO)CC(F)F)c(C)o1 ZINC000309848517 632675030 /nfs/dbraw/zinc/67/50/30/632675030.db2.gz HYMTXJZZWFKVHG-JTQLQIEISA-N 0 1 233.258 2.002 20 0 BEADMN CCOCCCN[C@H]1CCCc2oc(C)nc21 ZINC000924526099 632680701 /nfs/dbraw/zinc/68/07/01/632680701.db2.gz RPNMICVIESMZID-NSHDSACASA-N 0 1 238.331 2.377 20 0 BEADMN CCc1cc(CNc2cncc(Cl)n2)n[nH]1 ZINC000309980648 632688478 /nfs/dbraw/zinc/68/84/78/632688478.db2.gz VZKGPIZAHXLSBK-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN Cc1ncc(CNC/C=C/Cl)s1 ZINC000235821816 632834153 /nfs/dbraw/zinc/83/41/53/632834153.db2.gz DKDNQXJPIQJQKL-NSCUHMNNSA-N 0 1 202.710 2.294 20 0 BEADMN C[C@H]1C[C@@H](NCCc2cccs2)c2ncnn21 ZINC000924550683 632817588 /nfs/dbraw/zinc/81/75/88/632817588.db2.gz AXIHOJULRDCTSE-GXSJLCMTSA-N 0 1 248.355 2.178 20 0 BEADMN Cc1noc(C)c1[C@@H](C)C(=O)NOCC(C)C ZINC000153645618 632822873 /nfs/dbraw/zinc/82/28/73/632822873.db2.gz ULXDFJXGGIMOQI-MRVPVSSYSA-N 0 1 240.303 2.099 20 0 BEADMN CC[C@@H](Cc1ccccc1)C(=O)Nc1c[nH]nn1 ZINC000935596647 632852072 /nfs/dbraw/zinc/85/20/72/632852072.db2.gz PBAURLZRUPMKLJ-NSHDSACASA-N 0 1 244.298 2.012 20 0 BEADMN CCN(C(=O)C1=CCCC1)C1CN(CC2CC2)C1 ZINC000949881152 632947000 /nfs/dbraw/zinc/94/70/00/632947000.db2.gz IUMXCFCUHNQRAJ-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(F)cc(F)c1O ZINC000935736746 632970003 /nfs/dbraw/zinc/97/00/03/632970003.db2.gz HBVVFPJVKMHWFJ-RNFRBKRXSA-N 0 1 241.237 2.293 20 0 BEADMN CCN(CCS(=O)(=O)C(C)C)C1CCCC1 ZINC000178212042 633003724 /nfs/dbraw/zinc/00/37/24/633003724.db2.gz ACDLLVGRNKTDQL-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN C[C@@H](NC/C=C\c1ccccc1)c1cnnn1C ZINC000925049252 635872252 /nfs/dbraw/zinc/87/22/52/635872252.db2.gz GYKSTRHBNHMQFS-OJIASSBASA-N 0 1 242.326 2.179 20 0 BEADMN C[C@H](N[C@H]1CCCc2cn[nH]c21)C(F)(F)F ZINC000309427546 633058105 /nfs/dbraw/zinc/05/81/05/633058105.db2.gz AZRKQVORNLDRPA-XPUUQOCRSA-N 0 1 233.237 2.328 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1cccc(F)c1 ZINC000924582849 633062219 /nfs/dbraw/zinc/06/22/19/633062219.db2.gz NSKHLOJJNVDGRV-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN CCc1ccc([C@H](C)NCC[S@@](=O)CC)o1 ZINC000167535817 633130718 /nfs/dbraw/zinc/13/07/18/633130718.db2.gz LNBRRHFZQCPNIZ-MGPLVRAMSA-N 0 1 243.372 2.261 20 0 BEADMN Fc1cccnc1CNC[C@H]1CCC=CO1 ZINC000309475504 633135692 /nfs/dbraw/zinc/13/56/92/633135692.db2.gz BVDUXIJBSAXSCA-SNVBAGLBSA-N 0 1 222.263 2.003 20 0 BEADMN C[C@H](CCCCO)N[C@H]1CCCC1(F)F ZINC000394424213 633191462 /nfs/dbraw/zinc/19/14/62/633191462.db2.gz TWACIOWBEQNPFY-ZJUUUORDSA-N 0 1 221.291 2.315 20 0 BEADMN CC(C)(CC(F)(F)F)NCc1cncnc1 ZINC000309707773 633230502 /nfs/dbraw/zinc/23/05/02/633230502.db2.gz WBAOUEDFXHGWCF-UHFFFAOYSA-N 0 1 233.237 2.297 20 0 BEADMN CC[C@](C)(CN1CC(C(F)(F)F)C1)OC ZINC000894891177 635998062 /nfs/dbraw/zinc/99/80/62/635998062.db2.gz UAGLWCFCWLOCQD-SECBINFHSA-N 0 1 225.254 2.296 20 0 BEADMN CC1(CC(F)F)CN(Cc2cc[nH]c(=O)c2)C1 ZINC000895103975 636058319 /nfs/dbraw/zinc/05/83/19/636058319.db2.gz DXNYCMZXUCNWPE-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN CC(C)CCCCC(=O)NC[C@@H]1CCN1C ZINC000928557066 636096142 /nfs/dbraw/zinc/09/61/42/636096142.db2.gz YUZAXZOKNDBTAN-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C ZINC000928556640 636096757 /nfs/dbraw/zinc/09/67/57/636096757.db2.gz UFSGGRTUMLXGAJ-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000928557512 636097835 /nfs/dbraw/zinc/09/78/35/636097835.db2.gz UOQJQKLGSDICOF-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)on1 ZINC000925125666 636128833 /nfs/dbraw/zinc/12/88/33/636128833.db2.gz CLIXWQBIUREGJR-VIFPVBQESA-N 0 1 247.298 2.188 20 0 BEADMN CC[C@H]1CC[C@H](C)N1c1nc(C)cc(N)n1 ZINC000893093652 633829004 /nfs/dbraw/zinc/82/90/04/633829004.db2.gz ZBTSCTATIZIMGC-UWVGGRQHSA-N 0 1 220.320 2.135 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1c1nc(C)cc(N)n1 ZINC000893093451 633829107 /nfs/dbraw/zinc/82/91/07/633829107.db2.gz ZBTSCTATIZIMGC-NXEZZACHSA-N 0 1 220.320 2.135 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000309132927 633850713 /nfs/dbraw/zinc/85/07/13/633850713.db2.gz HVIJQSGVAFKAMP-GXFFZTMASA-N 0 1 227.348 2.465 20 0 BEADMN CC[S@](=O)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000309894053 633910524 /nfs/dbraw/zinc/91/05/24/633910524.db2.gz FBHRZRDGFLTTCH-QFYYESIMSA-N 0 1 243.372 2.316 20 0 BEADMN CC1(NC/C=C/c2cccc(F)c2)COC1 ZINC000895445222 636145717 /nfs/dbraw/zinc/14/57/17/636145717.db2.gz YEZLMABLIFIXAV-HWKANZROSA-N 0 1 221.275 2.217 20 0 BEADMN CC(C)Cc1ccc(CN(C)C2(CO)CC2)cn1 ZINC000895475989 636148393 /nfs/dbraw/zinc/14/83/93/636148393.db2.gz PFOQWLQNFGKRND-UHFFFAOYSA-N 0 1 248.370 2.237 20 0 BEADMN CCCCN(CC)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895518436 636156482 /nfs/dbraw/zinc/15/64/82/636156482.db2.gz NREDXIDKYJDDNI-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NCCCF ZINC000925559462 634037603 /nfs/dbraw/zinc/03/76/03/634037603.db2.gz YENURXSHMVWVGV-VIFPVBQESA-N 0 1 212.268 2.310 20 0 BEADMN CCCN(CCC)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895583637 636161752 /nfs/dbraw/zinc/16/17/52/636161752.db2.gz MMEXGKGEZGMXES-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1(C2CC2)CC1 ZINC000925612547 634152227 /nfs/dbraw/zinc/15/22/27/634152227.db2.gz MHNUEVYGWGYWPC-MRVPVSSYSA-N 0 1 221.304 2.219 20 0 BEADMN CCOCCN(CC)Cc1ccc(F)nc1 ZINC000189308735 634176855 /nfs/dbraw/zinc/17/68/55/634176855.db2.gz UFALLUOYGKNYCO-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN COC/C(C)=C\CN1CCO[C@](C)(C2CC2)C1 ZINC000930922892 634180879 /nfs/dbraw/zinc/18/08/79/634180879.db2.gz IGWATXXGMZMHKF-ZDWRTJATSA-N 0 1 239.359 2.080 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000191795281 634222961 /nfs/dbraw/zinc/22/29/61/634222961.db2.gz RVYJEKRENDBGQJ-TZQNSNDFSA-N 0 1 238.375 2.141 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3CCCCN3)n2)nc1 ZINC000094043740 635171147 /nfs/dbraw/zinc/17/11/47/635171147.db2.gz ZKINJJRMPVMKQP-JTQLQIEISA-N 0 1 248.261 2.085 20 0 BEADMN CCOCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931677742 635207246 /nfs/dbraw/zinc/20/72/46/635207246.db2.gz NNNWGQXIFTXWAF-UHFFFAOYSA-N 0 1 249.358 2.074 20 0 BEADMN Cc1ccccc1C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000258956493 635229418 /nfs/dbraw/zinc/22/94/18/635229418.db2.gz VLFXWOCOYPSZRP-QWHCGFSZSA-N 0 1 233.311 2.148 20 0 BEADMN COC(=O)c1cncc(CN2CCCCCC2)c1 ZINC000260112911 635305350 /nfs/dbraw/zinc/30/53/50/635305350.db2.gz KFQOLJYUZCEUMZ-UHFFFAOYSA-N 0 1 248.326 2.244 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000054053176 635339348 /nfs/dbraw/zinc/33/93/48/635339348.db2.gz HWIOITQHJCYXQL-VIFPVBQESA-N 0 1 217.272 2.325 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(F)ccc2C)no1 ZINC000054053369 635340210 /nfs/dbraw/zinc/34/02/10/635340210.db2.gz AYBVUWQMTUIBDK-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000932124197 635582737 /nfs/dbraw/zinc/58/27/37/635582737.db2.gz JQOMWOOHFMGOHQ-GHMZBOCLSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000932124197 635582742 /nfs/dbraw/zinc/58/27/42/635582742.db2.gz JQOMWOOHFMGOHQ-GHMZBOCLSA-N 0 1 249.358 2.359 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235629340 635584713 /nfs/dbraw/zinc/58/47/13/635584713.db2.gz YHVBLUMCWDVSQE-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nc(CNCCOCC2CC2)sc1C ZINC000235929689 635591030 /nfs/dbraw/zinc/59/10/30/635591030.db2.gz ZHINGWSMPNHUCC-UHFFFAOYSA-N 0 1 240.372 2.276 20 0 BEADMN CC(C)(CNC(=O)Cc1cnc[nH]1)C1=CCCC1 ZINC000909552888 636244642 /nfs/dbraw/zinc/24/46/42/636244642.db2.gz NMQGOWVJJAKTGO-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN CC[C@H](C[C@@H](C)CO)N[C@@H](C)c1ncco1 ZINC000925186612 636362841 /nfs/dbraw/zinc/36/28/41/636362841.db2.gz FINTURKMPNPUDI-OUAUKWLOSA-N 0 1 226.320 2.122 20 0 BEADMN COC[C@H](NC1CC(SC)C1)c1ccco1 ZINC000925205138 636382114 /nfs/dbraw/zinc/38/21/14/636382114.db2.gz NWGDHUIKXBDEBH-ILDUYXDCSA-N 0 1 241.356 2.451 20 0 BEADMN C[C@@H](N[C@H]1CCCc2[nH]ccc21)c1cn(C)cn1 ZINC000925224076 636415977 /nfs/dbraw/zinc/41/59/77/636415977.db2.gz DJZJSHJXMKRPOF-MFKMUULPSA-N 0 1 244.342 2.476 20 0 BEADMN CC1=CC[C@@H](NCc2noc3c2COCC3)CC1 ZINC000897366878 636493757 /nfs/dbraw/zinc/49/37/57/636493757.db2.gz QNFYNWGGTFDHOL-LLVKDONJSA-N 0 1 248.326 2.336 20 0 BEADMN C(NC1CC2(CCC2)C1)c1noc2c1COCC2 ZINC000897367099 636495985 /nfs/dbraw/zinc/49/59/85/636495985.db2.gz SAMRBCZCUQNDEV-UHFFFAOYSA-N 0 1 248.326 2.170 20 0 BEADMN C[C@@H](NC[C@H]1CCCS1)c1ncco1 ZINC000925256101 636529116 /nfs/dbraw/zinc/52/91/16/636529116.db2.gz CYQMOZZDTFCWMJ-RKDXNWHRSA-N 0 1 212.318 2.221 20 0 BEADMN CCN(CC(=O)NC(C)(C)/C=C/Cl)C1CC1 ZINC000928933636 636538094 /nfs/dbraw/zinc/53/80/94/636538094.db2.gz NAHNPYZGWWMAOA-BQYQJAHWSA-N 0 1 244.766 2.118 20 0 BEADMN C[C@H]1CN(CC(=O)OCc2ccccc2)C[C@@H]1C ZINC000752075510 636545687 /nfs/dbraw/zinc/54/56/87/636545687.db2.gz KMKBGFCLMPDHQC-STQMWFEESA-N 0 1 247.338 2.318 20 0 BEADMN C[C@H]1CN(CC(=O)OCc2ccccc2)C[C@H]1C ZINC000752075506 636546046 /nfs/dbraw/zinc/54/60/46/636546046.db2.gz KMKBGFCLMPDHQC-BETUJISGSA-N 0 1 247.338 2.318 20 0 BEADMN CCC1(NC(=O)c2[nH]nc3c2C[C@H](C)CC3)CC1 ZINC000897883314 636843971 /nfs/dbraw/zinc/84/39/71/636843971.db2.gz BHSBURFWNLTYEB-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN OCCC1CC(NCc2nc3ccccc3o2)C1 ZINC000898009993 636851179 /nfs/dbraw/zinc/85/11/79/636851179.db2.gz DGAHOYWSPNCJEX-UHFFFAOYSA-N 0 1 246.310 2.078 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCCc1cccnc1 ZINC000929183041 636919894 /nfs/dbraw/zinc/91/98/94/636919894.db2.gz RNYOURXKSSYYOM-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN CCCCCc1nc([C@@H](N)C(C)C)no1 ZINC000041052628 636959304 /nfs/dbraw/zinc/95/93/04/636959304.db2.gz IZBUETZAFHWXCD-JTQLQIEISA-N 0 1 211.309 2.458 20 0 BEADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)cn1 ZINC000041123332 636969483 /nfs/dbraw/zinc/96/94/83/636969483.db2.gz CVDDDSARNALCRG-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN Cc1ccc(CCN[C@H]2C[C@H](C)n3ncnc32)o1 ZINC000924653545 636977754 /nfs/dbraw/zinc/97/77/54/636977754.db2.gz ABEQGQZHBBMONA-CABZTGNLSA-N 0 1 246.314 2.018 20 0 BEADMN CC(C)N1CCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000923896476 637021514 /nfs/dbraw/zinc/02/15/14/637021514.db2.gz LYSSHIJFYIULAO-VIFPVBQESA-N 0 1 247.302 2.005 20 0 BEADMN COc1ccc(CNC/C=C\Cl)cc1O ZINC000898436919 637042473 /nfs/dbraw/zinc/04/24/73/637042473.db2.gz WWWCPXWXRRFEGS-DJWKRKHSSA-N 0 1 227.691 2.243 20 0 BEADMN C/C=C\C[C@@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC000899886286 637147687 /nfs/dbraw/zinc/14/76/87/637147687.db2.gz OKQVFNGAMZWHHQ-HSBHDXMMSA-N 0 1 248.374 2.476 20 0 BEADMN CCn1cc(CN2CCC[C@H](C3CCC3)C2)nn1 ZINC000899886436 637147901 /nfs/dbraw/zinc/14/79/01/637147901.db2.gz SDLUFJDKAFRPHH-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)Cc1c[nH]cn1 ZINC000900023933 637168119 /nfs/dbraw/zinc/16/81/19/637168119.db2.gz AKJDJEVDQIAWQM-LLVKDONJSA-N 0 1 243.310 2.172 20 0 BEADMN CCC(CC)(CC)NC(=O)Cc1cnc[nH]1 ZINC000900826949 637192297 /nfs/dbraw/zinc/19/22/97/637192297.db2.gz DSGLVFLSBCIVRY-UHFFFAOYSA-N 0 1 223.320 2.037 20 0 BEADMN CC(C)(C)c1cc[nH+]c(N2CC[C@H](C(=O)[O-])C2)c1 ZINC000900933351 637218238 /nfs/dbraw/zinc/21/82/38/637218238.db2.gz ADOVTYKKSYXPQX-JTQLQIEISA-N 0 1 248.326 2.290 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCCC2 ZINC000901426973 637250768 /nfs/dbraw/zinc/25/07/68/637250768.db2.gz WBAAXCQWCLPMPA-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN Cc1csc([C@H](C)NCC[C@@H](O)C2CC2)n1 ZINC000903412539 637359567 /nfs/dbraw/zinc/35/95/67/637359567.db2.gz UNYNCKXDAIVYTM-GXSJLCMTSA-N 0 1 240.372 2.263 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000903601762 637373764 /nfs/dbraw/zinc/37/37/64/637373764.db2.gz OBSVFWMLPDHCAX-WOPDTQHZSA-N 0 1 227.348 2.464 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903602584 637376413 /nfs/dbraw/zinc/37/64/13/637376413.db2.gz KAQXHSPKTVIVST-AXFHLTTASA-N 0 1 225.332 2.218 20 0 BEADMN CCCC(CCC)[S@@](=O)Cc1c[nH]nn1 ZINC000905164350 637676249 /nfs/dbraw/zinc/67/62/49/637676249.db2.gz DNODSGWCPCASKI-HNNXBMFYSA-N 0 1 229.349 2.022 20 0 BEADMN Cc1cn[nH]c1CS(=O)(=O)C(C)(C)C(C)C ZINC000905253127 637712694 /nfs/dbraw/zinc/71/26/94/637712694.db2.gz YKSDLGQRCMQQLG-UHFFFAOYSA-N 0 1 244.360 2.068 20 0 BEADMN CC[C@](O)(CNCC(C)(C)F)C(F)(F)F ZINC000905401719 637796753 /nfs/dbraw/zinc/79/67/53/637796753.db2.gz YVQMGDOWDUHERI-QMMMGPOBSA-N 0 1 231.233 2.028 20 0 BEADMN O[C@@H](CNCc1nsc2ccccc21)C1CC1 ZINC000905458022 637821933 /nfs/dbraw/zinc/82/19/33/637821933.db2.gz MSRNPDNDHAERKQ-LBPRGKRZSA-N 0 1 248.351 2.157 20 0 BEADMN O=C(CCc1cnc[nH]1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927439366 637882772 /nfs/dbraw/zinc/88/27/72/637882772.db2.gz YWCFWLFSWJLNAV-SMDDNHRTSA-N 0 1 247.342 2.039 20 0 BEADMN O[C@@H](CNC/C=C/Cl)c1c(F)cccc1F ZINC000905709033 637891792 /nfs/dbraw/zinc/89/17/92/637891792.db2.gz VHIUSTPTYMSCAY-FWYAXHSGSA-N 0 1 247.672 2.340 20 0 BEADMN NCc1nccn1CC[C@H]1CCCC1(F)F ZINC000905735834 637905385 /nfs/dbraw/zinc/90/53/85/637905385.db2.gz XKQJNIMCMBOZEU-SECBINFHSA-N 0 1 229.274 2.167 20 0 BEADMN CN(Cc1cn(CC2CCC2)nn1)C(C)(C)C ZINC000905791377 637931828 /nfs/dbraw/zinc/93/18/28/637931828.db2.gz ASOKQYFVYGOXKG-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1nc(NC2CC(CC(=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000906152393 638077247 /nfs/dbraw/zinc/07/72/47/638077247.db2.gz PKVIAJBEGLZXDX-UHFFFAOYSA-N 0 1 249.314 2.067 20 0 BEADMN Cc1[nH]nc2ccc(/C=C/N3CCCC3=O)cc12 ZINC000906204413 638105527 /nfs/dbraw/zinc/10/55/27/638105527.db2.gz KGBMNJAYQLTBEF-SOFGYWHQSA-N 0 1 241.294 2.464 20 0 BEADMN CC[C@H]1CCCCN1Cc1cn(C2CC2)nn1 ZINC000906253852 638119211 /nfs/dbraw/zinc/11/92/11/638119211.db2.gz FTRFSNQHGWRGOZ-LBPRGKRZSA-N 0 1 234.347 2.378 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(C3CC3)nn2)CC1 ZINC000906261502 638127860 /nfs/dbraw/zinc/12/78/60/638127860.db2.gz KLXBUAODWJWQLI-LLVKDONJSA-N 0 1 234.347 2.235 20 0 BEADMN C[C@H]1CCCN(Cc2cn(C3CC3)nn2)[C@H]1C ZINC000906269363 638133124 /nfs/dbraw/zinc/13/31/24/638133124.db2.gz MIFRJLXLZDXBAN-QWRGUYRKSA-N 0 1 234.347 2.233 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cn(C2CC2)nn1 ZINC000906296534 638137050 /nfs/dbraw/zinc/13/70/50/638137050.db2.gz MPQPAKCYMUAACH-GWCFXTLKSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2cn(C3CC3)nn2)[C@H]1C ZINC000906320736 638143592 /nfs/dbraw/zinc/14/35/92/638143592.db2.gz MXGILQKWRRXSNP-MXWKQRLJSA-N 0 1 234.347 2.089 20 0 BEADMN Fc1cccc([C@H]2C[C@H]2N2CCCOCC2)c1 ZINC000906593434 638211457 /nfs/dbraw/zinc/21/14/57/638211457.db2.gz VUDMLAWJQRBSFI-ZIAGYGMSSA-N 0 1 235.302 2.404 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(C)nc1C ZINC000906960029 638280050 /nfs/dbraw/zinc/28/00/50/638280050.db2.gz KNCUAVYFCTWOLF-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN Cc1cc(CN2CCO[C@@H](C)CC2)ccn1 ZINC000932334238 711453905 /nfs/dbraw/zinc/45/39/05/711453905.db2.gz FGBZHGMVKRTMSO-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000043585471 638624766 /nfs/dbraw/zinc/62/47/66/638624766.db2.gz IBAYKRGPBRWBPT-LLVKDONJSA-N 0 1 237.299 2.356 20 0 BEADMN CC[C@H]1CCCC[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC000908551240 639010653 /nfs/dbraw/zinc/01/06/53/639010653.db2.gz JTXFLORZWBIKDC-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC000908551239 639011032 /nfs/dbraw/zinc/01/10/32/639011032.db2.gz JTXFLORZWBIKDC-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN CCC[C@H](NC(=O)c1[nH]ncc1F)C(C)(C)C ZINC000908689560 639044580 /nfs/dbraw/zinc/04/45/80/639044580.db2.gz SQWRUWDNXWZXAD-VIFPVBQESA-N 0 1 241.310 2.493 20 0 BEADMN CCC(C)(C)C(=O)Nc1cccc2[nH]nnc21 ZINC000908699501 639045065 /nfs/dbraw/zinc/04/50/65/639045065.db2.gz APGCHGAEHWGSQY-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CC(C)=C(C)C(=O)Nc1cccc2[nH]nnc21 ZINC000908699573 639046305 /nfs/dbraw/zinc/04/63/05/639046305.db2.gz BYZXQKVSFYSKTQ-UHFFFAOYSA-N 0 1 230.271 2.253 20 0 BEADMN CC(C)(C(=O)Nc1cccc2[nH]nnc21)C1CC1 ZINC000908698828 639048141 /nfs/dbraw/zinc/04/81/41/639048141.db2.gz CVLANUSTANNXMZ-UHFFFAOYSA-N 0 1 244.298 2.333 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1=CCCC1 ZINC000908701336 639053334 /nfs/dbraw/zinc/05/33/34/639053334.db2.gz ZNDSVMPMVNFVSC-UHFFFAOYSA-N 0 1 228.255 2.007 20 0 BEADMN CCC1(NC(=O)Cc2cnc[nH]2)CCCCC1 ZINC000909032299 639121313 /nfs/dbraw/zinc/12/13/13/639121313.db2.gz BAFYBFHOFBMHQL-UHFFFAOYSA-N 0 1 235.331 2.181 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)/C=C(\C)Cl)CC1 ZINC000909262453 639186944 /nfs/dbraw/zinc/18/69/44/639186944.db2.gz SXQWCIXPGCJIPN-PBQZMEPESA-N 0 1 244.766 2.072 20 0 BEADMN CC=C(C=CC(=O)NC(C)(C)c1c[nH]nn1)CC ZINC000909722268 639210962 /nfs/dbraw/zinc/21/09/62/639210962.db2.gz UBFXZYUPKVZMLI-GBLFQTLVSA-N 0 1 248.330 2.069 20 0 BEADMN CCC[C@@H](NC(=O)Cc1cnc[nH]1)C1CCCC1 ZINC000909928836 639278435 /nfs/dbraw/zinc/27/84/35/639278435.db2.gz IZTPGFHDSILGDV-CYBMUJFWSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@H](C)C(=O)[O-] ZINC000910431763 639446995 /nfs/dbraw/zinc/44/69/95/639446995.db2.gz ZFOBEZFYPZWXEZ-YUMQZZPRSA-N 0 1 233.271 2.084 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000910443903 639452261 /nfs/dbraw/zinc/45/22/61/639452261.db2.gz SOIFRCSBDIEHMN-GXFFZTMASA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cccc(N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[nH+]1 ZINC000910457195 639456366 /nfs/dbraw/zinc/45/63/66/639456366.db2.gz UPLXOGNUTKKZGH-GMXVVIOVSA-N 0 1 246.310 2.080 20 0 BEADMN Cc1cc(C)nc(CN2CCOCC[C@@H]2C)c1 ZINC000930234430 639643730 /nfs/dbraw/zinc/64/37/30/639643730.db2.gz AETDHAUVLBZUQI-ZDUSSCGKSA-N 0 1 234.343 2.309 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000930260771 639665533 /nfs/dbraw/zinc/66/55/33/639665533.db2.gz UTERWJZVICTYLU-MDZLAQPJSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1nnsc1[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000930273212 639675467 /nfs/dbraw/zinc/67/54/67/639675467.db2.gz OBEZWJGOUNEDGY-ZKWXMUAHSA-N 0 1 211.334 2.390 20 0 BEADMN CCc1ncc(C[N@H+]2CCCO[C@H](CC)C2)o1 ZINC000930316978 639703069 /nfs/dbraw/zinc/70/30/69/639703069.db2.gz NOMJYYDJPQJGDC-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ncc(CN2CCCO[C@H](CC)C2)o1 ZINC000930316978 639703075 /nfs/dbraw/zinc/70/30/75/639703075.db2.gz NOMJYYDJPQJGDC-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1nocc1NC(=O)c1[nH]cnc1C(C)(C)C ZINC000911681550 639719950 /nfs/dbraw/zinc/71/99/50/639719950.db2.gz ZCOBEGHRFILHFR-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CCOC[C@@H](N[C@@H](C)c1ncccn1)C(C)C ZINC000930436084 639753117 /nfs/dbraw/zinc/75/31/17/639753117.db2.gz XIYLODUCWQCYPK-NWDGAFQWSA-N 0 1 237.347 2.188 20 0 BEADMN CC[C@@H]1CN([C@H](C)C2CC2)C[C@@H](C)[S@]1=O ZINC000930453765 639758443 /nfs/dbraw/zinc/75/84/43/639758443.db2.gz BFFJWQBQCBJIFV-NDLNZWKESA-N 0 1 229.389 2.016 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cc(C)cc(C)n1 ZINC000930477369 639768193 /nfs/dbraw/zinc/76/81/93/639768193.db2.gz PWZUSMXVHVPXMJ-LBPRGKRZSA-N 0 1 222.332 2.165 20 0 BEADMN C[C@H]1CN(CCOC2CC2)Cc2ccccc2O1 ZINC000930556227 639810661 /nfs/dbraw/zinc/81/06/61/639810661.db2.gz KRXQGIACXCLVGJ-LBPRGKRZSA-N 0 1 247.338 2.449 20 0 BEADMN CCc1onc(C)c1CN1C[C@@H](C)[C@@H]1C ZINC000930581945 639813966 /nfs/dbraw/zinc/81/39/66/639813966.db2.gz KFOOFJWHRMKSHW-SCZZXKLOSA-N 0 1 208.305 2.386 20 0 BEADMN Cc1cccc([C@H](O)CN(C(C)C)C2COC2)c1 ZINC000930594650 639815684 /nfs/dbraw/zinc/81/56/84/639815684.db2.gz KDXLXWVXIXNGSJ-OAHLLOKOSA-N 0 1 249.354 2.138 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)[C@@H](C)C2)o1 ZINC000930636969 639834873 /nfs/dbraw/zinc/83/48/73/639834873.db2.gz JVOPHAXVVBDOML-JQWIXIFHSA-N 0 1 238.331 2.094 20 0 BEADMN C[C@H](NCc1nncs1)C1CCCC1 ZINC000930667910 639854605 /nfs/dbraw/zinc/85/46/05/639854605.db2.gz UBOVPKUIACMWIJ-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1[nH]ncc1F ZINC000911876358 639865481 /nfs/dbraw/zinc/86/54/81/639865481.db2.gz CYRGGLAAZYYVLU-IONNQARKSA-N 0 1 239.294 2.103 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cnccc1CC ZINC000911902269 639884727 /nfs/dbraw/zinc/88/47/27/639884727.db2.gz UTQFKMFHXURABY-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN COCCCCN(C)[C@@H](C)c1snnc1C ZINC000930743464 639892916 /nfs/dbraw/zinc/89/29/16/639892916.db2.gz DUZPFYPUHWLTOD-JTQLQIEISA-N 0 1 243.376 2.266 20 0 BEADMN CCC(CC)NC(=O)c1ccc2n1CCN[C@@H]2C ZINC000911937747 639898552 /nfs/dbraw/zinc/89/85/52/639898552.db2.gz WBZKEZKDUHVFKJ-SNVBAGLBSA-N 0 1 249.358 2.071 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC(C)C)C2)o1 ZINC000930812583 639915828 /nfs/dbraw/zinc/91/58/28/639915828.db2.gz ZYIKNQIIACRBKL-LLVKDONJSA-N 0 1 238.331 2.236 20 0 BEADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccsc1 ZINC000912004967 639919810 /nfs/dbraw/zinc/91/98/10/639919810.db2.gz XRGIVXPNWXTPJL-NXEZZACHSA-N 0 1 247.323 2.238 20 0 BEADMN CC(C)N(C)CC(=O)N(C)c1ccsc1 ZINC000912006117 639920044 /nfs/dbraw/zinc/92/00/44/639920044.db2.gz FNXGFYLESYQADM-UHFFFAOYSA-N 0 1 226.345 2.051 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912032992 639922604 /nfs/dbraw/zinc/92/26/04/639922604.db2.gz MJJPSRDCAQQZJV-SEVUFMINSA-N 0 1 238.375 2.141 20 0 BEADMN CN(CCSc1ccncc1)Cc1cnc[nH]1 ZINC000930917206 639989384 /nfs/dbraw/zinc/98/93/84/639989384.db2.gz UYBMSXMTQRMHFX-UHFFFAOYSA-N 0 1 248.355 2.029 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1nncs1 ZINC000930968776 640005195 /nfs/dbraw/zinc/00/51/95/640005195.db2.gz HWGHWALCZJXDRA-JOYOIKCWSA-N 0 1 245.351 2.356 20 0 BEADMN C[C@@H](C(=O)N1CC=CC12CCCCC2)N(C)C ZINC000912477588 640091599 /nfs/dbraw/zinc/09/15/99/640091599.db2.gz GWSJYBDFQXUNEM-LBPRGKRZSA-N 0 1 236.359 2.038 20 0 BEADMN CCNCc1nc(-c2ccccc2C)no1 ZINC000044290807 640173235 /nfs/dbraw/zinc/17/32/35/640173235.db2.gz QUYVILOIIWGXDH-UHFFFAOYSA-N 0 1 217.272 2.155 20 0 BEADMN C[C@@H]1CN([C@@H]2C=CCCC2)Cc2c[nH]nc21 ZINC000931457918 640216684 /nfs/dbraw/zinc/21/66/84/640216684.db2.gz CVFAXGDGEWAWAD-ZYHUDNBSSA-N 0 1 217.316 2.438 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)Cc2c[nH]nc21 ZINC000931461724 640219071 /nfs/dbraw/zinc/21/90/71/640219071.db2.gz YKXOJWLLWUALLA-ZYHUDNBSSA-N 0 1 249.358 2.286 20 0 BEADMN CCC[C@H](CC)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912900386 640230536 /nfs/dbraw/zinc/23/05/36/640230536.db2.gz JMLAOMHDZIMEPV-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912911710 640236227 /nfs/dbraw/zinc/23/62/27/640236227.db2.gz NKKRVNLPGZUPJK-XZHRJIJLSA-N 0 1 236.359 2.039 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912903245 640246075 /nfs/dbraw/zinc/24/60/75/640246075.db2.gz QHYIPLNBGXOGAN-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CC=C(C(=O)N2CC[C@H](N3CCC3)C2)CC1 ZINC000912902245 640246443 /nfs/dbraw/zinc/24/64/43/640246443.db2.gz CIQCEHVLTCMOHR-OCCSQVGLSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]2CSC[C@H]2C1 ZINC000931547725 640268323 /nfs/dbraw/zinc/26/83/23/640268323.db2.gz FVGIHTKYHWLIHL-GRYCIOLGSA-N 0 1 249.383 2.223 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCN(C)c2ncccc2C1 ZINC000931568908 640277925 /nfs/dbraw/zinc/27/79/25/640277925.db2.gz DIXAXQXCJFHPDM-OCCSQVGLSA-N 0 1 245.370 2.380 20 0 BEADMN C/C=C/COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913301913 640347586 /nfs/dbraw/zinc/34/75/86/640347586.db2.gz GKDHKSUFKIPNQC-NSCUHMNNSA-N 0 1 232.239 2.403 20 0 BEADMN CCCCC1(C(=O)Nc2nnc(C)[nH]2)CC1 ZINC000931905837 640388522 /nfs/dbraw/zinc/38/85/22/640388522.db2.gz PGIMZIVAUODQMW-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN c1ncc(CNc2ccc3c(c2)OCCCO3)[nH]1 ZINC000054763048 640405481 /nfs/dbraw/zinc/40/54/81/640405481.db2.gz ZJFWCYSEBSXTHV-UHFFFAOYSA-N 0 1 245.282 2.183 20 0 BEADMN FCCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932080901 640421770 /nfs/dbraw/zinc/42/17/70/640421770.db2.gz SZPOZCIVTKLANG-SSDOTTSWSA-N 0 1 231.258 2.326 20 0 BEADMN CCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932072192 640421807 /nfs/dbraw/zinc/42/18/07/640421807.db2.gz BLEYRDFDVDIKLI-SSDOTTSWSA-N 0 1 213.268 2.376 20 0 BEADMN CO[C@@H](C)CN1CCS[C@H](C(F)(F)F)C1 ZINC000932075561 640422287 /nfs/dbraw/zinc/42/22/87/640422287.db2.gz PROWZHQXJFYXQV-YUMQZZPRSA-N 0 1 243.294 2.001 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccc(O)cc2)no1 ZINC000044625823 640445221 /nfs/dbraw/zinc/44/52/21/640445221.db2.gz VOWYREUDFXQWMU-SNVBAGLBSA-N 0 1 233.271 2.113 20 0 BEADMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccno1 ZINC000932171007 640448943 /nfs/dbraw/zinc/44/89/43/640448943.db2.gz QRHMAQUNYKTVJD-NSHDSACASA-N 0 1 238.331 2.454 20 0 BEADMN COC/C(C)=C\CN1CCC[C@@H]1c1ccnn1C ZINC000932259888 640460510 /nfs/dbraw/zinc/46/05/10/640460510.db2.gz BFWYNMBAKFTPJJ-YRBHFNIASA-N 0 1 249.358 2.150 20 0 BEADMN CCc1onc(C)c1CN1CCO[C@@H](C)CC1 ZINC000932334654 640478780 /nfs/dbraw/zinc/47/87/80/640478780.db2.gz CENVOGBHQQNPKX-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN Cc1ccc(CN2CCO[C@H](C)CC2)c(C)n1 ZINC000932339691 640485059 /nfs/dbraw/zinc/48/50/59/640485059.db2.gz ZMVOBEIFIGBDPN-GFCCVEGCSA-N 0 1 234.343 2.309 20 0 BEADMN c1cnc([C@@H](NC[C@H]2CCCCO2)C2CC2)nc1 ZINC000932360046 640499176 /nfs/dbraw/zinc/49/91/76/640499176.db2.gz JEKVBFXZBNJCHQ-OLZOCXBDSA-N 0 1 247.342 2.086 20 0 BEADMN Cc1cc(N[C@@H]2CCC[C@]2(C)C(=O)[O-])nc(C)[nH+]1 ZINC000165024339 640528509 /nfs/dbraw/zinc/52/85/09/640528509.db2.gz QYHXIRZPTWOTMS-MFKMUULPSA-N 0 1 249.314 2.149 20 0 BEADMN CCCc1nc(CN[C@@H]2COC[C@H]2C)cs1 ZINC000932503481 640560079 /nfs/dbraw/zinc/56/00/79/640560079.db2.gz YKSVEUWOCKKDML-MWLCHTKSSA-N 0 1 240.372 2.220 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)c2ccccc2)C1 ZINC001030062216 640561005 /nfs/dbraw/zinc/56/10/05/640561005.db2.gz YTWFLKYSLAILOF-GFCCVEGCSA-N 0 1 246.354 2.147 20 0 BEADMN C[C@@H]1C[C@@H](CN2CCn3cccc3C2)CCO1 ZINC000932524478 640562115 /nfs/dbraw/zinc/56/21/15/640562115.db2.gz LAZOBWCNTSBDSJ-OLZOCXBDSA-N 0 1 234.343 2.119 20 0 BEADMN COC(C)(C)CCN1CCn2cccc2C1 ZINC000932526507 640568087 /nfs/dbraw/zinc/56/80/87/640568087.db2.gz VJMLNWOAWJONPV-UHFFFAOYSA-N 0 1 222.332 2.119 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CCn2cccc2C1 ZINC000932531940 640571983 /nfs/dbraw/zinc/57/19/83/640571983.db2.gz WOQAMKNFUMWPKJ-SECBINFHSA-N 0 1 245.153 2.498 20 0 BEADMN CC(=O)CN[C@@H](C)c1ccc(F)cc1C ZINC000932561080 640575630 /nfs/dbraw/zinc/57/56/30/640575630.db2.gz BGFMMWJVKIDXEQ-JTQLQIEISA-N 0 1 209.264 2.374 20 0 BEADMN c1c(C2CC2)nn2c1CN(CC1CCC1)CC2 ZINC000932602263 640584234 /nfs/dbraw/zinc/58/42/34/640584234.db2.gz WVTSBFGHKDKALE-UHFFFAOYSA-N 0 1 231.343 2.376 20 0 BEADMN CCCN1CCOc2c(cccc2C(=O)OC)C1 ZINC000932653604 640601617 /nfs/dbraw/zinc/60/16/17/640601617.db2.gz NBUKQJLNADEBKV-UHFFFAOYSA-N 0 1 249.310 2.078 20 0 BEADMN Cc1nnc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)[nH]1 ZINC000932892361 640641218 /nfs/dbraw/zinc/64/12/18/640641218.db2.gz WGHFSVAJWSHHAF-CHWSQXEVSA-N 0 1 246.358 2.124 20 0 BEADMN CCC[C@H](C)N1CCc2c(ncn2CC)C1 ZINC000933253657 640677429 /nfs/dbraw/zinc/67/74/29/640677429.db2.gz JENMVACDCFOKAZ-NSHDSACASA-N 0 1 221.348 2.450 20 0 BEADMN CC(C)(C)OCCN1CCOC[C@H]1CC1CC1 ZINC000933212236 640678467 /nfs/dbraw/zinc/67/84/67/640678467.db2.gz YUVVABWFOHIFRW-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CCn1cnc2c1CCN(C/C=C\Cl)C2 ZINC000933262090 640691840 /nfs/dbraw/zinc/69/18/40/640691840.db2.gz ZIXPTVHXXIXWDK-HYXAFXHYSA-N 0 1 225.723 2.014 20 0 BEADMN CC(C)(C)CC(C)(C)C(=O)NCc1cnc[nH]1 ZINC000933265541 640693887 /nfs/dbraw/zinc/69/38/87/640693887.db2.gz CLYOXUSXBHPJLK-UHFFFAOYSA-N 0 1 237.347 2.488 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(F)c1O ZINC000933366833 640709436 /nfs/dbraw/zinc/70/94/36/640709436.db2.gz RYHANSLFICIOII-DTWKUNHWSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000058584191 640720101 /nfs/dbraw/zinc/72/01/01/640720101.db2.gz RGNAGFUPJGGJPA-LLVKDONJSA-N 0 1 246.310 2.284 20 0 BEADMN C[C@H](CSC(C)(C)C)NCc1cc[nH]n1 ZINC000167434780 640723435 /nfs/dbraw/zinc/72/34/35/640723435.db2.gz VYDQGSGNIQULSN-SECBINFHSA-N 0 1 227.377 2.420 20 0 BEADMN CC(C)=CCN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933670009 640740779 /nfs/dbraw/zinc/74/07/79/640740779.db2.gz SRHXRXWVWILUQI-KBPBESRZSA-N 0 1 239.359 2.080 20 0 BEADMN O=C(NCCC1CC1)c1cc(F)cc(F)c1O ZINC000933686297 640745716 /nfs/dbraw/zinc/74/57/16/640745716.db2.gz XAGXSNJNXRUZNS-UHFFFAOYSA-N 0 1 241.237 2.200 20 0 BEADMN c1cc(CN2CCCSC[C@H]2C2CC2)no1 ZINC000933917919 640790116 /nfs/dbraw/zinc/79/01/16/640790116.db2.gz OPCLGARQRQLBQQ-LBPRGKRZSA-N 0 1 238.356 2.392 20 0 BEADMN Cc1csc(CN(CCO)C2CCCC2)n1 ZINC000087396313 640882670 /nfs/dbraw/zinc/88/26/70/640882670.db2.gz ZPMYBISUCCBFKL-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NC/C(Cl)=C\Cl ZINC000228862941 640901362 /nfs/dbraw/zinc/90/13/62/640901362.db2.gz WOFSGSPBMUKGIW-VJYOWIMYSA-N 0 1 224.131 2.054 20 0 BEADMN CC1(Nc2nc(Cl)nc3[nH]cnc32)CCC1 ZINC000228911410 640904132 /nfs/dbraw/zinc/90/41/32/640904132.db2.gz YAMJIZUXNLIDBH-UHFFFAOYSA-N 0 1 237.694 2.361 20 0 BEADMN CCC[C@H](CNc1cc(C)[nH+]c(C)n1)C(=O)[O-] ZINC000087512403 640906346 /nfs/dbraw/zinc/90/63/46/640906346.db2.gz BSDLSFLSIQZSIX-SNVBAGLBSA-N 0 1 237.303 2.006 20 0 BEADMN Cc1nn(C)cc1CN[C@@H](C)c1cncs1 ZINC000229134516 640925770 /nfs/dbraw/zinc/92/57/70/640925770.db2.gz MAUAHCHIYOSYST-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN COCC[N@@H+](CCC(C)(C)C(=O)[O-])CC(C)C ZINC000087591573 640936559 /nfs/dbraw/zinc/93/65/59/640936559.db2.gz RAUFFGNBWUMSSP-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN Cc1nc(CN[C@]2(C)CCOC2)sc1C ZINC000229456934 640957440 /nfs/dbraw/zinc/95/74/40/640957440.db2.gz WVWLQPIYWNOJKP-LLVKDONJSA-N 0 1 226.345 2.029 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1occc1C ZINC000229551287 640966771 /nfs/dbraw/zinc/96/67/71/640966771.db2.gz RJSQZNGNJZNLBV-SNVBAGLBSA-N 0 1 225.288 2.273 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000229552318 640967158 /nfs/dbraw/zinc/96/71/58/640967158.db2.gz RJJYDECSMUCVTQ-JTQLQIEISA-N 0 1 223.272 2.027 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(F)c1O ZINC000934103072 641063197 /nfs/dbraw/zinc/06/31/97/641063197.db2.gz PEKXNLXZFCKHFD-DTWKUNHWSA-N 0 1 237.274 2.402 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1scnc1C ZINC000934111163 641072755 /nfs/dbraw/zinc/07/27/55/641072755.db2.gz LTJDFRSCODOFSD-UWVGGRQHSA-N 0 1 226.345 2.061 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1nc2ccccc2o1 ZINC000934124247 641087503 /nfs/dbraw/zinc/08/75/03/641087503.db2.gz BETBWQROCBUSSX-AAEUAGOBSA-N 0 1 246.310 2.437 20 0 BEADMN CCCCC1(NCc2nn(CC)nc2C)CC1 ZINC000934201486 641098928 /nfs/dbraw/zinc/09/89/28/641098928.db2.gz XCXLICLDMMLECR-UHFFFAOYSA-N 0 1 236.363 2.419 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccs2)C1 ZINC000062876844 641103591 /nfs/dbraw/zinc/10/35/91/641103591.db2.gz BGYDOSMGJIZEDK-LBPRGKRZSA-N 0 1 239.340 2.435 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccn2)C1 ZINC000062877583 641106511 /nfs/dbraw/zinc/10/65/11/641106511.db2.gz HJTWCGBALPPKFD-AWEZNQCLSA-N 0 1 248.326 2.158 20 0 BEADMN Cc1conc1CN[C@H](C)Cc1cccnc1 ZINC000934228253 641106745 /nfs/dbraw/zinc/10/67/45/641106745.db2.gz WXIBCSZJDNUCSH-LLVKDONJSA-N 0 1 231.299 2.099 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062935753 641108701 /nfs/dbraw/zinc/10/87/01/641108701.db2.gz CCUBBQIXBIUCLG-GFCCVEGCSA-N 0 1 213.321 2.219 20 0 BEADMN CCc1cnc(CN[C@@H](C)Cc2cccnc2)o1 ZINC000934232047 641109998 /nfs/dbraw/zinc/10/99/98/641109998.db2.gz BYHSNMDTXSZOOK-NSHDSACASA-N 0 1 245.326 2.353 20 0 BEADMN C(c1noc2c1COCC2)N1C[C@@H]2C[C@H]1CCC2 ZINC000934374015 641134484 /nfs/dbraw/zinc/13/44/84/641134484.db2.gz FTRAQHWFCMWKFO-WDEREUQCSA-N 0 1 248.326 2.122 20 0 BEADMN Cc1conc1CN[C@H]1CCOC12CCCC2 ZINC000934380157 641135657 /nfs/dbraw/zinc/13/56/57/641135657.db2.gz CYGKOIKIAZSBDE-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CC(C)C1CCN(CN2C[C@H](C)CC2=O)CC1 ZINC000172955699 641136613 /nfs/dbraw/zinc/13/66/13/641136613.db2.gz MHNQZKISUSBTTL-GFCCVEGCSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc(CN[C@@H]2CCOC23CCCC3)[nH]c1C ZINC000934382568 641137115 /nfs/dbraw/zinc/13/71/15/641137115.db2.gz GKHJCEJPDPUIDB-GFCCVEGCSA-N 0 1 249.358 2.218 20 0 BEADMN Cc1ccncc1-c1nc([C@@H](N)C(C)C)no1 ZINC000076024018 641148692 /nfs/dbraw/zinc/14/86/92/641148692.db2.gz BLXHWJNSBNEAOR-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN Clc1cnc(CN2C[C@@H]3CCC[C@@H]3C2)cn1 ZINC000231283654 641155075 /nfs/dbraw/zinc/15/50/75/641155075.db2.gz DWGGUARLTJBDAG-AOOOYVTPSA-N 0 1 237.734 2.362 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(C)C2CCC2)C1 ZINC000173366014 641173120 /nfs/dbraw/zinc/17/31/20/641173120.db2.gz ITDPQVRWEZOTIM-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN C[C@H]1CCCN1Cn1cnc(-c2ccccc2)n1 ZINC000173525759 641183062 /nfs/dbraw/zinc/18/30/62/641183062.db2.gz MKKQCIGGINBBDF-LBPRGKRZSA-N 0 1 242.326 2.387 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](O)[C@@H](F)C2)C1 ZINC000934571097 641198873 /nfs/dbraw/zinc/19/88/73/641198873.db2.gz ORCVCVBBKJURDO-MROQNXINSA-N 0 1 229.339 2.217 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC000934571139 641201963 /nfs/dbraw/zinc/20/19/63/641201963.db2.gz PDPKOXJCKAAPAZ-TUUUFIMRSA-N 0 1 229.339 2.217 20 0 BEADMN C[C@H](CN1CC[C@@H](O)[C@@H](F)C1)c1ccccc1 ZINC000934572708 641205329 /nfs/dbraw/zinc/20/53/29/641205329.db2.gz BOUWXZMRCRBSEV-KWCYVHTRSA-N 0 1 237.318 2.195 20 0 BEADMN Cc1ccnc(CN[C@@H]2CC=CC[C@H]2C)n1 ZINC000934620882 641216949 /nfs/dbraw/zinc/21/69/49/641216949.db2.gz KJEIBSLBHXTUBK-ZYHUDNBSSA-N 0 1 217.316 2.229 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)n1 ZINC000934621961 641217083 /nfs/dbraw/zinc/21/70/83/641217083.db2.gz NRXLNYFKWWGLQU-YUSALJHKSA-N 0 1 247.342 2.496 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CC=CC[C@H]2C)o1 ZINC000934627224 641221785 /nfs/dbraw/zinc/22/17/85/641221785.db2.gz OEXHLJHEFWKTNI-FXPVBKGRSA-N 0 1 221.304 2.383 20 0 BEADMN CCc1nnc(CN[C@@H]2CC=CC[C@H]2C)o1 ZINC000934628819 641222593 /nfs/dbraw/zinc/22/25/93/641222593.db2.gz GLXIMYSLBSUDHS-NXEZZACHSA-N 0 1 221.304 2.076 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN2CCCCC2)C1 ZINC000174069334 641234415 /nfs/dbraw/zinc/23/44/15/641234415.db2.gz HPXJDLOUYFEFBW-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN Cn1ncnc1CNC1(C2CCCCC2)CC1 ZINC000934788126 641272586 /nfs/dbraw/zinc/27/25/86/641272586.db2.gz PQNDINXFWPTXIC-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN CCc1onc(C)c1CN1CCCO[C@@H](C)C1 ZINC000929489382 641331655 /nfs/dbraw/zinc/33/16/55/641331655.db2.gz SEFROUCSJQIHTC-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCC1(C)CC1 ZINC000935090994 641335971 /nfs/dbraw/zinc/33/59/71/641335971.db2.gz UTWUXQNOSSBPGA-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCC1(C)CC1 ZINC000935090995 641336591 /nfs/dbraw/zinc/33/65/91/641336591.db2.gz UTWUXQNOSSBPGA-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)CCC2(C)CC2)CCN1C ZINC000935214542 641367287 /nfs/dbraw/zinc/36/72/87/641367287.db2.gz RKVYENPJYKGVPJ-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](c1nc(N(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000350602920 641372354 /nfs/dbraw/zinc/37/23/54/641372354.db2.gz UTMZDGSNNCNGRM-KXUCPTDWSA-N 0 1 238.335 2.069 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@]2(C)C=CCC2)c1 ZINC000935341432 641390887 /nfs/dbraw/zinc/39/08/87/641390887.db2.gz BNFPWWIEXSIXAT-AWEZNQCLSA-N 0 1 245.326 2.442 20 0 BEADMN Cc1nc(C)c(CN2CCS[C@H](C)[C@@H]2C)[nH]1 ZINC000929674323 641392156 /nfs/dbraw/zinc/39/21/56/641392156.db2.gz GQYKSQUQCCWUOE-VHSXEESVSA-N 0 1 239.388 2.352 20 0 BEADMN CC1=CCN(CCNC(=O)C2(C)CC=CC2)CC1 ZINC000935398343 641401855 /nfs/dbraw/zinc/40/18/55/641401855.db2.gz IIHUORXBRBLSHD-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000232752664 641417599 /nfs/dbraw/zinc/41/75/99/641417599.db2.gz NBTWINPRRFCADB-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1CC1(C)C ZINC000925393754 641424122 /nfs/dbraw/zinc/42/41/22/641424122.db2.gz RJXVRFSVTBPGKV-CBAPKCEASA-N 0 1 209.293 2.075 20 0 BEADMN CCC[C@H](C(=O)NC12CCN(CC1)C2)C(C)C ZINC000913632061 641428805 /nfs/dbraw/zinc/42/88/05/641428805.db2.gz OGMNLHHXCVHIPJ-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NC12CCN(CC1)C2 ZINC000913634057 641435830 /nfs/dbraw/zinc/43/58/30/641435830.db2.gz ZPOXAVSZRWJPOJ-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN O=C(Nc1c[nH]nn1)C1(C2CCCCC2)CC1 ZINC000935594562 641436446 /nfs/dbraw/zinc/43/64/46/641436446.db2.gz JNGGJKGZQBBEPZ-UHFFFAOYSA-N 0 1 234.303 2.104 20 0 BEADMN CSCCCCCCC(=O)Nc1c[nH]nn1 ZINC000935595926 641439539 /nfs/dbraw/zinc/43/95/39/641439539.db2.gz XRQRXKDMBACJKA-UHFFFAOYSA-N 0 1 242.348 2.057 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)NC(C)(C)C(F)F ZINC000935743100 641473844 /nfs/dbraw/zinc/47/38/44/641473844.db2.gz DSCMLBLBBFINHB-VIFPVBQESA-N 0 1 248.317 2.019 20 0 BEADMN CCN1CCN(C(=O)CCC2(C)CC2)[C@@H](C)C1 ZINC000935929945 641503343 /nfs/dbraw/zinc/50/33/43/641503343.db2.gz SLPCUJABRIDIFP-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN COc1ccccc1-c1nc([C@H](N)C(C)C)no1 ZINC000041123600 641540738 /nfs/dbraw/zinc/54/07/38/641540738.db2.gz CCOXNPAVTIPKMV-LLVKDONJSA-N 0 1 247.298 2.401 20 0 BEADMN Cc1cccnc1-c1noc([C@H]2CCCCN2)n1 ZINC000043616183 641570593 /nfs/dbraw/zinc/57/05/93/641570593.db2.gz CSRAFASJTWGZHB-SNVBAGLBSA-N 0 1 244.298 2.255 20 0 BEADMN C[C@H]1C[C@H](Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C ZINC000155839085 641584701 /nfs/dbraw/zinc/58/47/01/641584701.db2.gz WEVHDFCDZDVGFG-GXFFZTMASA-N 0 1 248.326 2.279 20 0 BEADMN CCNCc1nc(-c2cccc(Cl)c2)no1 ZINC000044289891 641595318 /nfs/dbraw/zinc/59/53/18/641595318.db2.gz AKKLNSPGZDQDJZ-UHFFFAOYSA-N 0 1 237.690 2.500 20 0 BEADMN C[C@H](NCc1cccc(F)c1)c1cnn(C)c1 ZINC000044495661 641602458 /nfs/dbraw/zinc/60/24/58/641602458.db2.gz GDWFDBKPGOXYQE-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN COc1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000158547195 641640450 /nfs/dbraw/zinc/64/04/50/641640450.db2.gz MFSJQISEXDDQRB-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN CC1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000232797345 641677565 /nfs/dbraw/zinc/67/75/65/641677565.db2.gz XXEVQGYJNQQKLD-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CCCCCC[C@@H](CC)C(=O)N1CCNCC1 ZINC000159392524 641681165 /nfs/dbraw/zinc/68/11/65/641681165.db2.gz VKRIJIXYAWPHKO-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000159754864 641699762 /nfs/dbraw/zinc/69/97/62/641699762.db2.gz XWSRDNDPRBZFNH-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H](C)COC(=O)CCCCc1cn[nH]n1 ZINC000188284469 641752408 /nfs/dbraw/zinc/75/24/08/641752408.db2.gz UREZGKLLYJVZBR-SNVBAGLBSA-N 0 1 239.319 2.107 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CCN[C@H](C)C1 ZINC000188367856 641753376 /nfs/dbraw/zinc/75/33/76/641753376.db2.gz VRJLSZFPXKVZCG-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCC(CC)CN(CC)C(=O)c1[nH]nnc1C ZINC000188627195 641762009 /nfs/dbraw/zinc/76/20/09/641762009.db2.gz GCSAALIMMMIRRT-UHFFFAOYSA-N 0 1 238.335 2.011 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2CCO[C@H](C)C2)n1 ZINC000075951731 641782977 /nfs/dbraw/zinc/78/29/77/641782977.db2.gz GEAXJKSWTGNMOH-UTLUCORTSA-N 0 1 239.319 2.008 20 0 BEADMN CC(C)c1cnc(CN[C@H]2CCOC[C@@H]2C)o1 ZINC000763905033 641792998 /nfs/dbraw/zinc/79/29/98/641792998.db2.gz XEDLUGKXCRHFBS-QWRGUYRKSA-N 0 1 238.331 2.313 20 0 BEADMN CCC[C@H](C)[C@H](C)OC(=O)CCc1nc[nH]n1 ZINC000189298739 641800386 /nfs/dbraw/zinc/80/03/86/641800386.db2.gz ITTZRBIFJCLIBC-UWVGGRQHSA-N 0 1 239.319 2.105 20 0 BEADMN C[C@H]1CCC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000915216411 641810203 /nfs/dbraw/zinc/81/02/03/641810203.db2.gz IRAPEXQPDNLCDA-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)C[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000232840012 641834763 /nfs/dbraw/zinc/83/47/63/641834763.db2.gz QCDZJEPBPYEKHD-QMMMGPOBSA-N 0 1 221.304 2.311 20 0 BEADMN CCCC(=O)NC1CCN(C/C=C/Cl)CC1 ZINC000915679855 641852591 /nfs/dbraw/zinc/85/25/91/641852591.db2.gz JMABRLLUWUIVJK-XVNBXDOJSA-N 0 1 244.766 2.120 20 0 BEADMN Cc1ccc([C@@H](C)CN2CCOCC2)cc1 ZINC000628116790 641857931 /nfs/dbraw/zinc/85/79/31/641857931.db2.gz CSYDENPFEBJVND-ZDUSSCGKSA-N 0 1 219.328 2.431 20 0 BEADMN C[C@@H](NCCC1CCCC1)c1nnnn1C1CC1 ZINC000190511631 641869564 /nfs/dbraw/zinc/86/95/64/641869564.db2.gz QMVZEVYXIPEMSX-SNVBAGLBSA-N 0 1 249.362 2.239 20 0 BEADMN CC(C(=O)N1C[C@@H](C)N[C@@H](C)C1)=C1CCCC1 ZINC000153848218 641908124 /nfs/dbraw/zinc/90/81/24/641908124.db2.gz XESPJNWRUBBHSD-PHIMTYICSA-N 0 1 236.359 2.086 20 0 BEADMN CC(C)(C)c1n[nH]c(SCCOC2CC2)n1 ZINC000916544341 641943564 /nfs/dbraw/zinc/94/35/64/641943564.db2.gz KXPFPKJNTLUNQZ-UHFFFAOYSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(SCCOC2CC2)n[nH]1 ZINC000916544341 641943569 /nfs/dbraw/zinc/94/35/69/641943569.db2.gz KXPFPKJNTLUNQZ-UHFFFAOYSA-N 0 1 241.360 2.373 20 0 BEADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ncccn1 ZINC000916538705 641943938 /nfs/dbraw/zinc/94/39/38/641943938.db2.gz OVMGXHZSYTYRQQ-SSDOTTSWSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ncccn1 ZINC000916538705 641943943 /nfs/dbraw/zinc/94/39/43/641943943.db2.gz OVMGXHZSYTYRQQ-SSDOTTSWSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@@H](NCCC(C)(C)C)c1nnnn1C1CC1 ZINC000191834268 641946937 /nfs/dbraw/zinc/94/69/37/641946937.db2.gz AZCAAFIOMHOJJE-SECBINFHSA-N 0 1 237.351 2.095 20 0 BEADMN CC(C)[N@@H+](CCSC(F)(F)F)CC(=O)[O-] ZINC000123581708 641966501 /nfs/dbraw/zinc/96/65/01/641966501.db2.gz LPTZSHBODXZNAN-UHFFFAOYSA-N 0 1 245.266 2.034 20 0 BEADMN Cn1nccc1[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000916740346 641974227 /nfs/dbraw/zinc/97/42/27/641974227.db2.gz UIRBWICGNZSSLV-UUSYTGMJSA-N 0 1 239.750 2.352 20 0 BEADMN Cn1nccc1[C@H]1CCCN(C/C=C\Cl)C1 ZINC000916740346 641974233 /nfs/dbraw/zinc/97/42/33/641974233.db2.gz UIRBWICGNZSSLV-UUSYTGMJSA-N 0 1 239.750 2.352 20 0 BEADMN O=C(Nc1nc(-c2cccs2)n[nH]1)C1CCC1 ZINC000917128258 642019747 /nfs/dbraw/zinc/01/97/47/642019747.db2.gz XKUXNZPXTSAXGX-UHFFFAOYSA-N 0 1 248.311 2.272 20 0 BEADMN c1n[nH]nc1SCCOC1CCCCC1 ZINC000917174555 642027398 /nfs/dbraw/zinc/02/73/98/642027398.db2.gz YBSXFAKICPGDRT-UHFFFAOYSA-N 0 1 227.333 2.246 20 0 BEADMN Cc1cn[nH]c1CS[C@H]1CCO[C@@H]1C ZINC000917351281 642048635 /nfs/dbraw/zinc/04/86/35/642048635.db2.gz WRQSVQIKGAKYCG-SCZZXKLOSA-N 0 1 212.318 2.129 20 0 BEADMN CC(C)(C(=O)N1CCCC(C)(C)C1)c1c[nH]cn1 ZINC000670475867 642212991 /nfs/dbraw/zinc/21/29/91/642212991.db2.gz SRORWRASXMFUDB-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN CCN(C(=O)N(C)Cc1cn[nH]c1C)C(C)C ZINC000918683023 642247676 /nfs/dbraw/zinc/24/76/76/642247676.db2.gz ZQXQMCNRJQIUGU-UHFFFAOYSA-N 0 1 238.335 2.000 20 0 BEADMN c1c[nH]c(CN2CCC[C@H](C3CCOCC3)C2)n1 ZINC000933080302 642318415 /nfs/dbraw/zinc/31/84/15/642318415.db2.gz WHDZUBVLZSCXGQ-ZDUSSCGKSA-N 0 1 249.358 2.048 20 0 BEADMN C[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CCCC1 ZINC000234283377 642328626 /nfs/dbraw/zinc/32/86/26/642328626.db2.gz PXEBXRRQYFLYFU-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN COC(=O)[C@@H]1CCN(C/C=C/Cl)[C@H](C)C1 ZINC000933172597 642371120 /nfs/dbraw/zinc/37/11/20/642371120.db2.gz RTOHTFODWMWOBZ-OTIHIVFHSA-N 0 1 231.723 2.012 20 0 BEADMN CC[N@@H+](CCC(C)(C)OC)C(C)(C)C(=O)OC ZINC000933192935 642381549 /nfs/dbraw/zinc/38/15/49/642381549.db2.gz GLKYJKGICDSERF-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CCN(CCC(C)(C)OC)C(C)(C)C(=O)OC ZINC000933192935 642381555 /nfs/dbraw/zinc/38/15/55/642381555.db2.gz GLKYJKGICDSERF-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@@H]1CC1CC1 ZINC000933205173 642387599 /nfs/dbraw/zinc/38/75/99/642387599.db2.gz XSFYJVRRXYMLJH-CLUXPMKYSA-N 0 1 239.359 2.080 20 0 BEADMN CC(C)COCCN1CCOC[C@@H]1CC1CC1 ZINC000933216372 642395149 /nfs/dbraw/zinc/39/51/49/642395149.db2.gz WGBDMQMSACZLLL-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1cccnc1Cl ZINC000090774221 642402452 /nfs/dbraw/zinc/40/24/52/642402452.db2.gz BCSCDFUVVKQPLV-DTWKUNHWSA-N 0 1 226.707 2.175 20 0 BEADMN CCCCC[N@H+]1CCc2c(ncn2CC)C1 ZINC000933255102 642426530 /nfs/dbraw/zinc/42/65/30/642426530.db2.gz XBUKUMQEBXMLCP-UHFFFAOYSA-N 0 1 221.348 2.451 20 0 BEADMN Cc1cc(NC(=O)CN2CCCC2)cc(O)c1C ZINC000921383821 642607444 /nfs/dbraw/zinc/60/74/44/642607444.db2.gz CNDLHVSWAHTIBT-UHFFFAOYSA-N 0 1 248.326 2.043 20 0 BEADMN C[C@@H](NCc1cnn(CCF)c1)c1cccnc1 ZINC000921490275 642629178 /nfs/dbraw/zinc/62/91/78/642629178.db2.gz DNJWIGXATOWEFW-LLVKDONJSA-N 0 1 248.305 2.098 20 0 BEADMN CSCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921481919 642635217 /nfs/dbraw/zinc/63/52/17/642635217.db2.gz XIRWLJSZAQOWTI-UHFFFAOYSA-N 0 1 245.779 2.393 20 0 BEADMN Cc1ccc2cc(C[N@@H+](C)CC(=O)[O-])ccc2n1 ZINC000097864021 642637988 /nfs/dbraw/zinc/63/79/88/642637988.db2.gz CKDSRWQIQGMSAS-UHFFFAOYSA-N 0 1 244.294 2.060 20 0 BEADMN CCc1nnc(SCCCCCCO)[nH]1 ZINC000175550549 642693784 /nfs/dbraw/zinc/69/37/84/642693784.db2.gz JQJHWEYWWUWRBP-UHFFFAOYSA-N 0 1 229.349 2.012 20 0 BEADMN CCc1n[nH]c(SCCCCCCO)n1 ZINC000175550549 642693786 /nfs/dbraw/zinc/69/37/86/642693786.db2.gz JQJHWEYWWUWRBP-UHFFFAOYSA-N 0 1 229.349 2.012 20 0 BEADMN CC(C)=CCN1CC[C@H](NC(=O)c2ccoc2)C1 ZINC001010175820 642854315 /nfs/dbraw/zinc/85/43/15/642854315.db2.gz HDXRTCLPCBOAIF-ZDUSSCGKSA-N 0 1 248.326 2.050 20 0 BEADMN CC(C)COC(=O)CN(C)C1CCCC1 ZINC000181425082 642870066 /nfs/dbraw/zinc/87/00/66/642870066.db2.gz BHADYBCSWNIFDG-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000181464539 642875413 /nfs/dbraw/zinc/87/54/13/642875413.db2.gz ZAMIZZOKHOSNIY-STQMWFEESA-N 0 1 239.359 2.450 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@H](C)C1 ZINC000069794764 642906632 /nfs/dbraw/zinc/90/66/32/642906632.db2.gz IVYHLTYTIOLEIG-WCBMZHEXSA-N 0 1 209.293 2.046 20 0 BEADMN c1cc(-c2noc([C@H]3CCCCN3)n2)co1 ZINC000069946017 642940331 /nfs/dbraw/zinc/94/03/31/642940331.db2.gz REUQKLQMLCRHMS-SECBINFHSA-N 0 1 219.244 2.144 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017345220 642971358 /nfs/dbraw/zinc/97/13/58/642971358.db2.gz SLRQVRDTEGYULC-MELADBBJSA-N 0 1 248.370 2.038 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001017810761 642981985 /nfs/dbraw/zinc/98/19/85/642981985.db2.gz RKJFYZGZGSHGHW-VNHYZAJKSA-N 0 1 248.370 2.038 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001017810760 642982793 /nfs/dbraw/zinc/98/27/93/642982793.db2.gz RKJFYZGZGSHGHW-GUTXKFCHSA-N 0 1 248.370 2.038 20 0 BEADMN CCCN(CCC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183280515 643100217 /nfs/dbraw/zinc/10/02/17/643100217.db2.gz DPEVREVMVJGEJW-UHFFFAOYSA-N 0 1 240.307 2.179 20 0 BEADMN CCC[C@H](C)CN1CCN(C(=O)OCC)CC1 ZINC000183465901 643131945 /nfs/dbraw/zinc/13/19/45/643131945.db2.gz APLHOCVPWSGHMR-LBPRGKRZSA-N 0 1 242.363 2.197 20 0 BEADMN CCC[C@@H](C)CN1CCN(C(=O)OCC)CC1 ZINC000183465884 643132593 /nfs/dbraw/zinc/13/25/93/643132593.db2.gz APLHOCVPWSGHMR-GFCCVEGCSA-N 0 1 242.363 2.197 20 0 BEADMN CCCC[C@H](CC)CN(C)CCS(C)(=O)=O ZINC000183611110 643149801 /nfs/dbraw/zinc/14/98/01/643149801.db2.gz RHRUTKPHTGVTIE-LBPRGKRZSA-N 0 1 249.420 2.179 20 0 BEADMN Cc1cc(C)cc(-n2cc(CNC(C)C)nn2)c1 ZINC000090299569 643156079 /nfs/dbraw/zinc/15/60/79/643156079.db2.gz AWUKPXPWKDGOPE-UHFFFAOYSA-N 0 1 244.342 2.382 20 0 BEADMN Cc1cc[nH+]c(N(CCC(=O)[O-])CC(C)C)c1 ZINC000071720244 643172157 /nfs/dbraw/zinc/17/21/57/643172157.db2.gz GZWIPBZSNWJAPY-UHFFFAOYSA-N 0 1 236.315 2.327 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C1CCCC1 ZINC000071739077 643172891 /nfs/dbraw/zinc/17/28/91/643172891.db2.gz CTPWRUVUTSMPMU-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN COC(C)(C)[C@H](C)NCc1c(F)cncc1F ZINC000932371883 643180319 /nfs/dbraw/zinc/18/03/19/643180319.db2.gz BJTOGUDSGVHECS-QMMMGPOBSA-N 0 1 244.285 2.263 20 0 BEADMN Cc1cc(C(C#N)C(=O)CC2CCC2)nc(C)n1 ZINC000076822486 643263634 /nfs/dbraw/zinc/26/36/34/643263634.db2.gz UMAQOSSJJBHEEH-GFCCVEGCSA-N 0 1 243.310 2.460 20 0 BEADMN C[C@@H](C(=O)NCC1CCCCCCC1)N(C)C ZINC000078691884 643272488 /nfs/dbraw/zinc/27/24/88/643272488.db2.gz DYUPPFYLBHKVEB-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000185628174 643346017 /nfs/dbraw/zinc/34/60/17/643346017.db2.gz NNGCAFICIDRFAV-MNOVXSKESA-N 0 1 244.294 2.494 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)C[C@@H]1C[C@@H]1C ZINC000082648549 643363659 /nfs/dbraw/zinc/36/36/59/643363659.db2.gz UMQFHJUCKPJQMO-WPRPVWTQSA-N 0 1 241.766 2.470 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000049842183 643475420 /nfs/dbraw/zinc/47/54/20/643475420.db2.gz LLPLVLYYCVYBPR-LFKJVQOCSA-N 0 1 231.723 2.316 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)n[nH]1 ZINC000932785983 643479303 /nfs/dbraw/zinc/47/93/03/643479303.db2.gz BEQCKFLBGNILJI-ZSBIGDGJSA-N 0 1 247.342 2.161 20 0 BEADMN CC(C)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000038998689 643486220 /nfs/dbraw/zinc/48/62/20/643486220.db2.gz MCOWOUMFYHWELE-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CCCS(=O)(=O)CCN1CCCCC[C@H]1C ZINC000734057917 643488058 /nfs/dbraw/zinc/48/80/58/643488058.db2.gz DTDOKAYFRSYBGL-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])no1)C(C)C ZINC000042585852 643510514 /nfs/dbraw/zinc/51/05/14/643510514.db2.gz SZQBHIOFWYCWAN-UHFFFAOYSA-N 0 1 240.303 2.239 20 0 BEADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])CC(C)C ZINC000083638390 643601254 /nfs/dbraw/zinc/60/12/54/643601254.db2.gz WYOPAQCLTPGGDB-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000083638365 643601508 /nfs/dbraw/zinc/60/15/08/643601508.db2.gz ZQIYFSAINXWLNM-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000084002863 643639211 /nfs/dbraw/zinc/63/92/11/643639211.db2.gz CUFATMMJPUFEFR-UJICNMFASA-N 0 1 213.321 2.384 20 0 BEADMN CCc1cc(CNCc2ccccc2)[nH]n1 ZINC000050306713 643682647 /nfs/dbraw/zinc/68/26/47/643682647.db2.gz UHRRVTVOJRKKMR-UHFFFAOYSA-N 0 1 215.300 2.262 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CCC)C1CC1 ZINC000160569260 643685846 /nfs/dbraw/zinc/68/58/46/643685846.db2.gz CBQCEKMNAYFACU-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CCOC(=O)/C=C\CN1CCC(C(F)F)CC1 ZINC000307861830 643688883 /nfs/dbraw/zinc/68/88/83/643688883.db2.gz WDHKJGLDZDFEHB-ARJAWSKDSA-N 0 1 247.285 2.083 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@@H]1CCSC1 ZINC000921794408 643789417 /nfs/dbraw/zinc/78/94/17/643789417.db2.gz UQOYXLGCIFMWJV-SSDOTTSWSA-N 0 1 245.779 2.221 20 0 BEADMN C[C@@H](NCc1ccnn1C1CCC1)c1cn[nH]c1 ZINC000921936151 643829296 /nfs/dbraw/zinc/82/92/96/643829296.db2.gz NNWIAYMMQJGAKW-SNVBAGLBSA-N 0 1 245.330 2.182 20 0 BEADMN C[C@@H](NCc1cnn(CCF)c1)c1ccc[nH]1 ZINC000921939478 643830546 /nfs/dbraw/zinc/83/05/46/643830546.db2.gz RMRAPURJCIHLKC-SNVBAGLBSA-N 0 1 236.294 2.032 20 0 BEADMN OCC1(NC/C(Cl)=C/Cl)CCCC1 ZINC000085978985 643873829 /nfs/dbraw/zinc/87/38/29/643873829.db2.gz YMMKZSJFYDDKBH-YVMONPNESA-N 0 1 224.131 2.200 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C/C=C(\C)COC ZINC000929271824 643884895 /nfs/dbraw/zinc/88/48/95/643884895.db2.gz URBLFTGALXCTQB-OAIDTJHVSA-N 0 1 227.348 2.078 20 0 BEADMN C/C=C\CNCc1ccc(C(=O)OC)cc1F ZINC000922295297 643959033 /nfs/dbraw/zinc/95/90/33/643959033.db2.gz WTFOKHOTZGDSNT-ARJAWSKDSA-N 0 1 237.274 2.278 20 0 BEADMN CC(C)(F)CNCc1cccc2c1OCC2 ZINC000922299090 643961979 /nfs/dbraw/zinc/96/19/79/643961979.db2.gz BDAHANJVEOOTLC-UHFFFAOYSA-N 0 1 223.291 2.459 20 0 BEADMN CCn1nc(C)c(CNC[C@@]23C[C@@H]2CCCC3)n1 ZINC000922426578 643992401 /nfs/dbraw/zinc/99/24/01/643992401.db2.gz QKHOHMDYUWZDJS-GXTWGEPZSA-N 0 1 248.374 2.276 20 0 BEADMN CCCCC[C@@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000154114152 643995584 /nfs/dbraw/zinc/99/55/84/643995584.db2.gz YFLIKZSODOOJQB-SNVBAGLBSA-N 0 1 237.347 2.346 20 0 BEADMN Cc1coc(CNCc2cc(N(C)C)ccn2)c1 ZINC000922477456 644000773 /nfs/dbraw/zinc/00/07/73/644000773.db2.gz FQTIJBKUKNDMMZ-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000922514493 644011006 /nfs/dbraw/zinc/01/10/06/644011006.db2.gz AQDGJEYCLKNXKB-OLZOCXBDSA-N 0 1 248.326 2.209 20 0 BEADMN CC[C@@H]1C[C@H]1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000922522442 644013068 /nfs/dbraw/zinc/01/30/68/644013068.db2.gz DQAFEGDYKUBTMV-OUAUKWLOSA-N 0 1 248.326 2.419 20 0 BEADMN c1n[nH]cc1CN[C@H](c1ccccn1)C1CC1 ZINC000922583645 644034770 /nfs/dbraw/zinc/03/47/70/644034770.db2.gz ZMTMANRKQRTKIJ-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN Cn1cc(CN[C@H](c2ccccn2)C2CC2)cn1 ZINC000922586802 644036742 /nfs/dbraw/zinc/03/67/42/644036742.db2.gz QHSHKYGEXNJUTJ-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2COC[C@@H]2C)s1 ZINC000922642086 644055946 /nfs/dbraw/zinc/05/59/46/644055946.db2.gz PDRPVFNDVPEBRJ-VHSXEESVSA-N 0 1 240.372 2.391 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2COC[C@H]2C)s1 ZINC000922642084 644056473 /nfs/dbraw/zinc/05/64/73/644056473.db2.gz PDRPVFNDVPEBRJ-NXEZZACHSA-N 0 1 240.372 2.391 20 0 BEADMN Cc1cnn(C)c1CNC(C)(C)/C=C\Cl ZINC000922649803 644058201 /nfs/dbraw/zinc/05/82/01/644058201.db2.gz YHFGHXBHFDWRKS-WAYWQWQTSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000922808962 644101230 /nfs/dbraw/zinc/10/12/30/644101230.db2.gz BDAMQEJGWHZWSG-LBPRGKRZSA-N 0 1 249.358 2.300 20 0 BEADMN Cc1nc(CNC[C@@]2(C)CCCCO2)[nH]c1C ZINC000922816876 644106898 /nfs/dbraw/zinc/10/68/98/644106898.db2.gz QXIPJVYLSIWNCN-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CCC[C@H](O)CCNCc1nc2ccccc2o1 ZINC000922822794 644111942 /nfs/dbraw/zinc/11/19/42/644111942.db2.gz SEBSMNNQIQFZQD-NSHDSACASA-N 0 1 248.326 2.469 20 0 BEADMN CCC(=O)N(C)C1CCN(C/C=C\Cl)CC1 ZINC001005016418 644160616 /nfs/dbraw/zinc/16/06/16/644160616.db2.gz OKMLYHYAHXAVRH-DAXSKMNVSA-N 0 1 244.766 2.072 20 0 BEADMN CC(C)CN(CN1CCSC1=O)C1CC1 ZINC000192766753 644181924 /nfs/dbraw/zinc/18/19/24/644181924.db2.gz BRLBQQFABOKHOQ-UHFFFAOYSA-N 0 1 228.361 2.233 20 0 BEADMN C/C(=C\C(=O)NCc1cn[nH]c1C)C(C)(C)C ZINC000079754201 644207807 /nfs/dbraw/zinc/20/78/07/644207807.db2.gz FBXXJVXZBLXYOW-RMKNXTFCSA-N 0 1 235.331 2.327 20 0 BEADMN CCc1onc(C)c1CN[C@H]1CO[C@@H](CC)C1 ZINC000922982185 644215058 /nfs/dbraw/zinc/21/50/58/644215058.db2.gz OWRDJLQZTWCINL-MNOVXSKESA-N 0 1 238.331 2.203 20 0 BEADMN Cc1nonc1CN[C@@H]1CCCC1(C)C ZINC000086874393 644236857 /nfs/dbraw/zinc/23/68/57/644236857.db2.gz OCYSJOUCGZAQFD-SNVBAGLBSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nonc1CN[C@H]1CCCC1(C)C ZINC000086874396 644238357 /nfs/dbraw/zinc/23/83/57/644238357.db2.gz OCYSJOUCGZAQFD-JTQLQIEISA-N 0 1 209.293 2.046 20 0 BEADMN CCc1onc(C)c1CN(C)CCCOC ZINC000929352905 644251398 /nfs/dbraw/zinc/25/13/98/644251398.db2.gz SADLMNKDRGISRL-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN FC(F)(F)SCCNCc1cscn1 ZINC000193851244 644284270 /nfs/dbraw/zinc/28/42/70/644284270.db2.gz RZEAFMUBGMDCQB-UHFFFAOYSA-N 0 1 242.291 2.486 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923225497 644293839 /nfs/dbraw/zinc/29/38/39/644293839.db2.gz XQFDYCWHRWAWED-GFCCVEGCSA-N 0 1 237.343 2.363 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923225498 644294235 /nfs/dbraw/zinc/29/42/35/644294235.db2.gz XQFDYCWHRWAWED-LBPRGKRZSA-N 0 1 237.343 2.363 20 0 BEADMN CC[N@@H+](CCc1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000923252447 644301732 /nfs/dbraw/zinc/30/17/32/644301732.db2.gz ABTNPTITCNDXHR-SNVBAGLBSA-N 0 1 239.290 2.163 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000923273517 644306444 /nfs/dbraw/zinc/30/64/44/644306444.db2.gz WKBZFLYTGSZIKA-XEHSLEBBSA-N 0 1 231.295 2.249 20 0 BEADMN C[C@H](NC(=O)C(F)(F)F)c1ccsc1 ZINC000081562421 644330576 /nfs/dbraw/zinc/33/05/76/644330576.db2.gz SJUQCGJRFYQMPM-YFKPBYRVSA-N 0 1 223.219 2.488 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)s1 ZINC000083406451 644404865 /nfs/dbraw/zinc/40/48/65/644404865.db2.gz BOXKEOZMQVCBJR-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN N#Cc1ccc(F)c(CNCc2cc[nH]c2)c1 ZINC000086255360 644459354 /nfs/dbraw/zinc/45/93/54/644459354.db2.gz DTNYONGRRWDGAD-UHFFFAOYSA-N 0 1 229.258 2.315 20 0 BEADMN COC(OC)[C@H](C)NCc1cc(Cl)cs1 ZINC000086332897 644462389 /nfs/dbraw/zinc/46/23/89/644462389.db2.gz RPFDDEUDTWJCIE-ZETCQYMHSA-N 0 1 249.763 2.499 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])ccc1F ZINC000086807307 644470369 /nfs/dbraw/zinc/47/03/69/644470369.db2.gz WRNUVUJXSMBEKJ-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(C)c1 ZINC000086754418 644470746 /nfs/dbraw/zinc/47/07/46/644470746.db2.gz UWZHIDCOJIPDFC-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@H](C)C(=O)[O-])ccc1F ZINC000086807309 644471541 /nfs/dbraw/zinc/47/15/41/644471541.db2.gz WRNUVUJXSMBEKJ-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN CCN1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923548009 644495419 /nfs/dbraw/zinc/49/54/19/644495419.db2.gz LPSQALIYAKLYAW-CHWSQXEVSA-N 0 1 246.354 2.307 20 0 BEADMN Nc1cccc(CN2CCOC[C@@H]2CC2CC2)c1 ZINC000923556898 644502187 /nfs/dbraw/zinc/50/21/87/644502187.db2.gz ZLGBYLWAMAGUEJ-HNNXBMFYSA-N 0 1 246.354 2.270 20 0 BEADMN C=CCCC[C@H](C)N(C)CCS(=O)(=O)CC ZINC000089267412 644539110 /nfs/dbraw/zinc/53/91/10/644539110.db2.gz OYISCUUHJXCSKS-LBPRGKRZSA-N 0 1 247.404 2.098 20 0 BEADMN C[C@H]1CCCN(CN2CCSC2=O)CC1 ZINC000748084118 644588160 /nfs/dbraw/zinc/58/81/60/644588160.db2.gz QRKFQVDQMKCQRF-JTQLQIEISA-N 0 1 228.361 2.235 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000247100714 644623276 /nfs/dbraw/zinc/62/32/76/644623276.db2.gz XWSRDNDPRBZFNH-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN C[N@H+](Cc1cc(Cl)ccc1[O-])CC(C)(C)O ZINC000093414531 644688715 /nfs/dbraw/zinc/68/87/15/644688715.db2.gz MJSMRJQMJGWQJA-UHFFFAOYSA-N 0 1 243.734 2.248 20 0 BEADMN C[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)(C)O ZINC000093414531 644688718 /nfs/dbraw/zinc/68/87/18/644688718.db2.gz MJSMRJQMJGWQJA-UHFFFAOYSA-N 0 1 243.734 2.248 20 0 BEADMN CN(CCc1nccs1)Cc1ccoc1 ZINC000093844058 644702508 /nfs/dbraw/zinc/70/25/08/644702508.db2.gz GESNKAVQMZNRNX-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000248967865 644705891 /nfs/dbraw/zinc/70/58/91/644705891.db2.gz RFCQSHHVQKDAMM-SKDRFNHKSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C(C)C)C1 ZINC000781979910 644737919 /nfs/dbraw/zinc/73/79/19/644737919.db2.gz DTJNUGVPGAFIGD-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000251369606 644803309 /nfs/dbraw/zinc/80/33/09/644803309.db2.gz UIFXGPSVGUMQBT-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C)[C@H](N[C@H]1CCC[C@H]1C)C(=O)OC ZINC000251937200 644832733 /nfs/dbraw/zinc/83/27/33/644832733.db2.gz SBBPRHKRQVDIRS-USZNOCQGSA-N 0 1 227.348 2.352 20 0 BEADMN CCCCN(CC)CN1CC(C)(C)CC1=O ZINC000808138289 644873746 /nfs/dbraw/zinc/87/37/46/644873746.db2.gz KOELMYAMDNWGCT-UHFFFAOYSA-N 0 1 226.364 2.324 20 0 BEADMN CCCN(CN1C[C@](C)(CC)CC1=O)C1CC1 ZINC000808153668 644874416 /nfs/dbraw/zinc/87/44/16/644874416.db2.gz FVWZOJANEOJPQI-CQSZACIVSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000808165623 644875833 /nfs/dbraw/zinc/87/58/33/644875833.db2.gz QGAPTQTZRLOTJM-AWEZNQCLSA-N 0 1 238.375 2.324 20 0 BEADMN CCC1CCN(CN2CC(C)(C)CC2=O)CC1 ZINC000808141788 644876385 /nfs/dbraw/zinc/87/63/85/644876385.db2.gz GFYVJRLJMIJQJJ-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN C1=CO[C@H](CN2C[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000816666358 644965151 /nfs/dbraw/zinc/96/51/51/644965151.db2.gz LGVFAUSNKXHVDL-SOUVJXGZSA-N 0 1 249.354 2.323 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C2CC2)C[C@H](CC)O1 ZINC000817280550 644969570 /nfs/dbraw/zinc/96/95/70/644969570.db2.gz IVLOAPFULJYMPS-BETUJISGSA-N 0 1 239.359 2.245 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(CC)C[C@H]1CC ZINC000836947686 645183885 /nfs/dbraw/zinc/18/38/85/645183885.db2.gz KXTWYGPYIQCKJU-QWGHSUKYSA-N 0 1 238.375 2.285 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836947688 645183964 /nfs/dbraw/zinc/18/39/64/645183964.db2.gz KXTWYGPYIQCKJU-XLVZXTRVSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)C(C)=C(C)C ZINC000836946851 645184394 /nfs/dbraw/zinc/18/43/94/645184394.db2.gz DXROHECNUWVTLI-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1cc(CO)on1 ZINC000926532661 645258309 /nfs/dbraw/zinc/25/83/09/645258309.db2.gz BXKRVLBJKIUXTP-SCVCMEIPSA-N 0 1 238.331 2.110 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@@H](C)[C@@H]2C)o1 ZINC000926537560 645262585 /nfs/dbraw/zinc/26/25/85/645262585.db2.gz MOENJNHXGFZIFA-JBLDHEPKSA-N 0 1 238.331 2.140 20 0 BEADMN CCc1ncc(CN[C@H](C)C2(Cl)CC2)o1 ZINC000926537844 645263212 /nfs/dbraw/zinc/26/32/12/645263212.db2.gz QDANVEWHCDEXTR-MRVPVSSYSA-N 0 1 228.723 2.487 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000843155652 645268424 /nfs/dbraw/zinc/26/84/24/645268424.db2.gz WPFWYPQNTWIWJZ-JLIMGVALSA-N 0 1 239.319 2.211 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000843155655 645268800 /nfs/dbraw/zinc/26/88/00/645268800.db2.gz WPFWYPQNTWIWJZ-SGIHWFKDSA-N 0 1 239.319 2.211 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2cc(C3CC3)no2)n1 ZINC000843155501 645269819 /nfs/dbraw/zinc/26/98/19/645269819.db2.gz UVQRRIQKDTXJBQ-SNVBAGLBSA-N 0 1 248.286 2.258 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cc(CO)on1 ZINC000926569716 645290533 /nfs/dbraw/zinc/29/05/33/645290533.db2.gz TYCMXMMWPQJMGU-GIPNMCIBSA-N 0 1 238.331 2.252 20 0 BEADMN C[C@H](N[C@@H]1CC12CC2)c1cn2c(n1)CCCC2 ZINC000926613253 645314472 /nfs/dbraw/zinc/31/44/72/645314472.db2.gz CHFNMIROUFAYDE-CMPLNLGQSA-N 0 1 231.343 2.423 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C2CCC2)c2ncnn21 ZINC000926615040 645315744 /nfs/dbraw/zinc/31/57/44/645315744.db2.gz MOQDWJCZAPRILP-KLHWPWHYSA-N 0 1 232.331 2.062 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H](C)CC(F)F ZINC000926627929 645323517 /nfs/dbraw/zinc/32/35/17/645323517.db2.gz HULZGNFGBZDCSP-RQJHMYQMSA-N 0 1 233.262 2.320 20 0 BEADMN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ncco1 ZINC000926645141 645331340 /nfs/dbraw/zinc/33/13/40/645331340.db2.gz SAXSNQCRBYZATQ-GARJFASQSA-N 0 1 226.320 2.122 20 0 BEADMN C[C@@H]1C[C@H](NC2(C3CCC3)CC2)c2ncnn21 ZINC000926650296 645338270 /nfs/dbraw/zinc/33/82/70/645338270.db2.gz USVDWXZIYJORLS-KOLCDFICSA-N 0 1 232.331 2.206 20 0 BEADMN C[C@@H](Cc1ccccn1)N[C@@H](C)c1ncco1 ZINC000926669281 645347943 /nfs/dbraw/zinc/34/79/43/645347943.db2.gz PNWOGRVGYMPOEI-QWRGUYRKSA-N 0 1 231.299 2.351 20 0 BEADMN COc1cc([C@H](C)N[C@H]2C=CCC2)on1 ZINC000926690176 645359441 /nfs/dbraw/zinc/35/94/41/645359441.db2.gz NOPWYJVNEJGBBK-IUCAKERBSA-N 0 1 208.261 2.052 20 0 BEADMN C[C@@H]1C[C@H](NCCCC2CCC2)c2ncnn21 ZINC000926704842 645370818 /nfs/dbraw/zinc/37/08/18/645370818.db2.gz LHVKKWGAYUEICG-PWSUYJOCSA-N 0 1 234.347 2.454 20 0 BEADMN Cc1nonc1[C@H](C)NCC1CC(C)C1 ZINC000926739027 645395326 /nfs/dbraw/zinc/39/53/26/645395326.db2.gz ZSRZUEQKYNYAEZ-ZCUBBSJVSA-N 0 1 209.293 2.075 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@H]1CCCS1 ZINC000926788676 645432906 /nfs/dbraw/zinc/43/29/06/645432906.db2.gz BFIGSJZLZUZTEQ-WCBMZHEXSA-N 0 1 241.360 2.314 20 0 BEADMN CCN1CC[C@H]1CN[C@H]1CCCc2oc(C)nc21 ZINC000926858149 645459045 /nfs/dbraw/zinc/45/90/45/645459045.db2.gz KXYQETDIWAPBAG-RYUDHWBXSA-N 0 1 249.358 2.044 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000926868647 645466202 /nfs/dbraw/zinc/46/62/02/645466202.db2.gz LEWCRIGMFANRRN-TZAKJNRTSA-N 0 1 235.331 2.321 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000926891606 645478260 /nfs/dbraw/zinc/47/82/60/645478260.db2.gz CPPHMEFZEIVNPW-DLOVCJGASA-N 0 1 249.358 2.043 20 0 BEADMN C[C@H](NCCC1CC=CC1)c1cc(CO)on1 ZINC000926951097 645498433 /nfs/dbraw/zinc/49/84/33/645498433.db2.gz WIOGVZXRUDGCKJ-JTQLQIEISA-N 0 1 236.315 2.174 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCCO1)c1ncc[nH]1 ZINC000927014666 645514434 /nfs/dbraw/zinc/51/44/34/645514434.db2.gz PRZXHDHKULSUMZ-CMPLNLGQSA-N 0 1 223.320 2.020 20 0 BEADMN CCC[C@H](O)CCN[C@@H](C)c1nccs1 ZINC000927019810 645516789 /nfs/dbraw/zinc/51/67/89/645516789.db2.gz UPVKLAOWITXEQE-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@@H](O)CCN[C@H](C)c1nccn1CC ZINC000927018767 645518510 /nfs/dbraw/zinc/51/85/10/645518510.db2.gz BLJDQJCESKMQFA-VXGBXAGGSA-N 0 1 239.363 2.105 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCS[C@H](C)C1 ZINC000927030658 645529911 /nfs/dbraw/zinc/52/99/11/645529911.db2.gz SXTSHSOUWVKPBJ-WEDXCCLWSA-N 0 1 241.360 2.313 20 0 BEADMN C[C@@H](NC[C@]12C[C@H]1CCC2)c1cc(CO)on1 ZINC000927123108 645557491 /nfs/dbraw/zinc/55/74/91/645557491.db2.gz VYMWBFRWMRJRSV-BREBYQMCSA-N 0 1 236.315 2.008 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@]12C[C@H]1CCC2 ZINC000927121186 645558027 /nfs/dbraw/zinc/55/80/27/645558027.db2.gz JLJFHTWTUWUUON-UISBYWKRSA-N 0 1 221.304 2.219 20 0 BEADMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1cn(C)cn1 ZINC000927158821 645576740 /nfs/dbraw/zinc/57/67/40/645576740.db2.gz KHAMWXXEKJZRBY-DGCLKSJQSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1nccn1C ZINC000927160680 645579551 /nfs/dbraw/zinc/57/95/51/645579551.db2.gz MNLLBSJHOSRDBQ-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN CCC/C=C/C(=O)NCc1cc(N(C)C)ccn1 ZINC000927696229 645638131 /nfs/dbraw/zinc/63/81/31/645638131.db2.gz UMGBJMJHJVZPPD-VOTSOKGWSA-N 0 1 247.342 2.120 20 0 BEADMN CC(C)OCCNc1ccncc1C(F)(F)F ZINC000865676478 645721240 /nfs/dbraw/zinc/72/12/40/645721240.db2.gz JUIKSDSBTRZEFY-UHFFFAOYSA-N 0 1 248.248 2.359 20 0 BEADMN CC(C)(F)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000865653419 645721304 /nfs/dbraw/zinc/72/13/04/645721304.db2.gz RQVMEOAZILYXPA-UHFFFAOYSA-N 0 1 239.216 2.266 20 0 BEADMN CC(C)(F)CNCc1ccc(F)nc1 ZINC000865652897 645721672 /nfs/dbraw/zinc/72/16/72/645721672.db2.gz MORQWYUWHJEDMB-UHFFFAOYSA-N 0 1 200.232 2.058 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928426721 645740733 /nfs/dbraw/zinc/74/07/33/645740733.db2.gz GSRAFXCBPUIAFQ-MDZLAQPJSA-N 0 1 244.354 2.114 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928426722 645741914 /nfs/dbraw/zinc/74/19/14/645741914.db2.gz GSRAFXCBPUIAFQ-WZRBSPASSA-N 0 1 244.354 2.114 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928426720 645742401 /nfs/dbraw/zinc/74/24/01/645742401.db2.gz GSRAFXCBPUIAFQ-LOWVWBTDSA-N 0 1 244.354 2.114 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCNC[C@H]1CCC ZINC000876796427 645786841 /nfs/dbraw/zinc/78/68/41/645786841.db2.gz DROUMIUKZXRHDX-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN c1c(CN[C@@H]2COC3(CCC3)C2)onc1C1CC1 ZINC000877628648 645804127 /nfs/dbraw/zinc/80/41/27/645804127.db2.gz KUOIRHCPTQNGBH-NSHDSACASA-N 0 1 248.326 2.353 20 0 BEADMN Cc1conc1CN1CCCCC[C@H]1CCO ZINC000878571847 645817959 /nfs/dbraw/zinc/81/79/59/645817959.db2.gz COCLGWQGKXFLGL-LBPRGKRZSA-N 0 1 238.331 2.110 20 0 BEADMN CC[C@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928568318 645831709 /nfs/dbraw/zinc/83/17/09/645831709.db2.gz SWPRZXCMMSJQQP-KBPBESRZSA-N 0 1 246.354 2.001 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(C(C)C)nc1 ZINC000928620803 645849089 /nfs/dbraw/zinc/84/90/89/645849089.db2.gz KUEIYCFFYBHWIH-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN Cc1noc(C(C)C)c1NC(=O)c1cn[nH]c1C ZINC000928788389 645856988 /nfs/dbraw/zinc/85/69/88/645856988.db2.gz CYQFMILABUQHCU-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CCn1cc(CN2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000887547328 645898267 /nfs/dbraw/zinc/89/82/67/645898267.db2.gz DMGZRKYQOPUDTN-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN C[C@H]1CN(CCCC(C)(F)F)CCO1 ZINC000929110494 645947242 /nfs/dbraw/zinc/94/72/42/645947242.db2.gz ZFRHRZGNQJGOHY-VIFPVBQESA-N 0 1 207.264 2.143 20 0 BEADMN CCCCOC(=O)[C@H]1CCCN1C(C)C ZINC000923890901 645962242 /nfs/dbraw/zinc/96/22/42/645962242.db2.gz BECLNQRLAVQHJH-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)N1CCC[C@@H]1c1nc(-c2ccon2)no1 ZINC000923952671 645964507 /nfs/dbraw/zinc/96/45/07/645964507.db2.gz KTENTVYRHAVCTJ-SNVBAGLBSA-N 0 1 248.286 2.270 20 0 BEADMN CC(C)N1CCC[C@H]1c1nc(-c2ccon2)no1 ZINC000923952670 645965357 /nfs/dbraw/zinc/96/53/57/645965357.db2.gz KTENTVYRHAVCTJ-JTQLQIEISA-N 0 1 248.286 2.270 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000929137535 645965753 /nfs/dbraw/zinc/96/57/53/645965753.db2.gz HXIFSEYJNJQOIW-CYBMUJFWSA-N 0 1 248.326 2.204 20 0 BEADMN CC(C)N1CCC[C@@H]1c1nc(-c2cn[nH]c2)no1 ZINC000924095509 645979008 /nfs/dbraw/zinc/97/90/08/645979008.db2.gz LJJJKLRYJRZIFZ-SNVBAGLBSA-N 0 1 247.302 2.005 20 0 BEADMN c1cc2c(s1)CCN(CCOC1CC1)C2 ZINC000929198340 645999050 /nfs/dbraw/zinc/99/90/50/645999050.db2.gz FILHEPWJRCUJAD-UHFFFAOYSA-N 0 1 223.341 2.285 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@]23C[C@H]2CCC3)n1 ZINC000924439466 646036609 /nfs/dbraw/zinc/03/66/09/646036609.db2.gz ZSSWUTMNBUZUMI-NOZJJQNGSA-N 0 1 249.314 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC000924439466 646036617 /nfs/dbraw/zinc/03/66/17/646036617.db2.gz ZSSWUTMNBUZUMI-NOZJJQNGSA-N 0 1 249.314 2.162 20 0 BEADMN CCC[C@@H](C)N[C@H](C)c1cc(CO)on1 ZINC000924528264 646047556 /nfs/dbraw/zinc/04/75/56/646047556.db2.gz LVURPEFOPRUDHC-RKDXNWHRSA-N 0 1 212.293 2.006 20 0 BEADMN CCn1cc(CN([C@@H](C)C(C)C)C2CC2)nn1 ZINC000929274963 646053771 /nfs/dbraw/zinc/05/37/71/646053771.db2.gz OKNHVKYJEIXQMX-NSHDSACASA-N 0 1 236.363 2.307 20 0 BEADMN CCCCCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000924538723 646058316 /nfs/dbraw/zinc/05/83/16/646058316.db2.gz MDOHDOZNOKBIMR-GHMZBOCLSA-N 0 1 222.336 2.454 20 0 BEADMN CCCCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000924542506 646061864 /nfs/dbraw/zinc/06/18/64/646061864.db2.gz NAXRMDPQIGBNPW-NXEZZACHSA-N 0 1 208.309 2.064 20 0 BEADMN C[C@H](N[C@@H](C)c1cnnn1C)c1cccs1 ZINC000924548764 646064137 /nfs/dbraw/zinc/06/41/37/646064137.db2.gz MDGIHGJEIHWJKO-IUCAKERBSA-N 0 1 236.344 2.288 20 0 BEADMN CCCCCN[C@H](C)c1cc(CO)on1 ZINC000924543788 646064159 /nfs/dbraw/zinc/06/41/59/646064159.db2.gz SACNOJQLNLWRCZ-SECBINFHSA-N 0 1 212.293 2.008 20 0 BEADMN CC(C)n1cc([C@@H](C)NCCc2ccco2)nn1 ZINC000924556972 646068226 /nfs/dbraw/zinc/06/82/26/646068226.db2.gz WILVYTUEDZUCBD-LLVKDONJSA-N 0 1 248.330 2.345 20 0 BEADMN CC(C)n1cc([C@H](C)NCCc2ccco2)nn1 ZINC000924556974 646069119 /nfs/dbraw/zinc/06/91/19/646069119.db2.gz WILVYTUEDZUCBD-NSHDSACASA-N 0 1 248.330 2.345 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)Cc1ccco1 ZINC000924609691 646077268 /nfs/dbraw/zinc/07/72/68/646077268.db2.gz MUZPJWCWBZDHLO-RKDXNWHRSA-N 0 1 235.287 2.253 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000924608592 646077420 /nfs/dbraw/zinc/07/74/20/646077420.db2.gz GYIHUXDZPDAOQI-CKYFFXLPSA-N 0 1 246.314 2.098 20 0 BEADMN CC[C@H](CO)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000929344178 646086531 /nfs/dbraw/zinc/08/65/31/646086531.db2.gz IWRQTSKOYIXCHP-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](CO)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000929344176 646087671 /nfs/dbraw/zinc/08/76/71/646087671.db2.gz IWRQTSKOYIXCHP-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](CO)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000929344177 646088445 /nfs/dbraw/zinc/08/84/45/646088445.db2.gz IWRQTSKOYIXCHP-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CC1(C)COCCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929348321 646089214 /nfs/dbraw/zinc/08/92/14/646089214.db2.gz PTAJUJARXBMVQS-JGPRNRPPSA-N 0 1 245.313 2.389 20 0 BEADMN C[C@@H](NCc1ccc(Cl)nc1)c1ccnnc1 ZINC000924711041 646093775 /nfs/dbraw/zinc/09/37/75/646093775.db2.gz FKOVZDCWBGUWLA-SECBINFHSA-N 0 1 248.717 2.376 20 0 BEADMN C[C@H]1CC2(CC(NCc3cscn3)C2)CO1 ZINC000924870768 646121203 /nfs/dbraw/zinc/12/12/03/646121203.db2.gz GCYBSNYZWQRSKG-BMQDGWLCSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1cccc(CCN[C@@H](C)c2cnn(C)n2)c1 ZINC000924880641 646124290 /nfs/dbraw/zinc/12/42/90/646124290.db2.gz HJUPYWBBLMVXMU-LBPRGKRZSA-N 0 1 244.342 2.017 20 0 BEADMN CCN(CCOC1CC1)CCC(F)(F)F ZINC000929465992 646129030 /nfs/dbraw/zinc/12/90/30/646129030.db2.gz DQGWMABEVMERJB-UHFFFAOYSA-N 0 1 225.254 2.440 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCCO[C@H](C)C1 ZINC000929487422 646142995 /nfs/dbraw/zinc/14/29/95/646142995.db2.gz HDSDFHMMJCKQLF-MNOVXSKESA-N 0 1 238.306 2.393 20 0 BEADMN CCC[C@@H](O)CN[C@H]1CCCc2oc(C)nc21 ZINC000925041528 646165519 /nfs/dbraw/zinc/16/55/19/646165519.db2.gz OUHVYGDTEGCFPB-MNOVXSKESA-N 0 1 238.331 2.111 20 0 BEADMN CC[C@@H]1COC[C@@H]1NCc1cc(C(C)C)no1 ZINC000925066055 646174545 /nfs/dbraw/zinc/17/45/45/646174545.db2.gz ATDKWVHPRIIZMK-MFKMUULPSA-N 0 1 238.331 2.313 20 0 BEADMN CSCCCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000925100605 646185111 /nfs/dbraw/zinc/18/51/11/646185111.db2.gz UNTOUDVOWQKDAQ-UWVGGRQHSA-N 0 1 240.376 2.017 20 0 BEADMN CCCCN(CCOC)Cc1cnc(CC)o1 ZINC000929613234 646198792 /nfs/dbraw/zinc/19/87/92/646198792.db2.gz BSUSDMNQRAFPCO-UHFFFAOYSA-N 0 1 240.347 2.486 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)C[C@H](C)O1 ZINC000929618864 646203619 /nfs/dbraw/zinc/20/36/19/646203619.db2.gz CVDGINODOICIDQ-OAIDTJHVSA-N 0 1 227.348 2.078 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)C[C@@H](C)O1 ZINC000929618866 646204076 /nfs/dbraw/zinc/20/40/76/646204076.db2.gz CVDGINODOICIDQ-WXYBXBMJSA-N 0 1 227.348 2.078 20 0 BEADMN c1cc(CN[C@H]2CCOC23CCCCC3)no1 ZINC000925210156 646209116 /nfs/dbraw/zinc/20/91/16/646209116.db2.gz DLBLKPORRICYOH-LBPRGKRZSA-N 0 1 236.315 2.256 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@@H]1CC(C)C ZINC000929643609 646214888 /nfs/dbraw/zinc/21/48/88/646214888.db2.gz BEVXGYHHHUSRNG-UUSOHVMFSA-N 0 1 241.375 2.326 20 0 BEADMN CCC1(CN[C@H](C)c2cc(CO)on2)CCC1 ZINC000925240578 646218400 /nfs/dbraw/zinc/21/84/00/646218400.db2.gz QLRDTYAWLFXKCC-SNVBAGLBSA-N 0 1 238.331 2.398 20 0 BEADMN CCC1(O)CCC(N[C@H](C)c2ncco2)CC1 ZINC000925294907 646234483 /nfs/dbraw/zinc/23/44/83/646234483.db2.gz IISZZPGMNWSZEC-XSRFYTQQSA-N 0 1 238.331 2.409 20 0 BEADMN CCO[C@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000929677861 646237999 /nfs/dbraw/zinc/23/79/99/646237999.db2.gz GHEYLGRMJYEGDZ-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN Cc1cc(CN2CCSC[C@@H]2C)c(C)nn1 ZINC000929689905 646247415 /nfs/dbraw/zinc/24/74/15/646247415.db2.gz ZRRNQMQOFDYXEP-JTQLQIEISA-N 0 1 237.372 2.031 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@H](CO)C2)c1F ZINC000929695045 646248700 /nfs/dbraw/zinc/24/87/00/646248700.db2.gz FFQFAAAHGDZOMZ-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN CCc1ncc(CN(C)CCCOC(C)C)o1 ZINC000929694949 646250541 /nfs/dbraw/zinc/25/05/41/646250541.db2.gz BXKGOMRVTPSOBQ-UHFFFAOYSA-N 0 1 240.347 2.484 20 0 BEADMN CC[C@H](CO)N1CCO[C@@H](c2ccccc2C)C1 ZINC000929706970 646261358 /nfs/dbraw/zinc/26/13/58/646261358.db2.gz DHCUEFNERRZHOC-UKRRQHHQSA-N 0 1 249.354 2.139 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cccc(F)c1O ZINC000929708034 646263508 /nfs/dbraw/zinc/26/35/08/646263508.db2.gz QNKMGOPXZJJESY-MRVPVSSYSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@H](NCCCC(C)(C)C)c1cnn(C)n1 ZINC000925455183 646285725 /nfs/dbraw/zinc/28/57/25/646285725.db2.gz LLZKZBGPTRPQQU-JTQLQIEISA-N 0 1 224.352 2.292 20 0 BEADMN CCn1nc(C)c([C@H](C)NCC2(C)CC2)n1 ZINC000925487781 646299265 /nfs/dbraw/zinc/29/92/65/646299265.db2.gz FMDCUTDRNREQNP-VIFPVBQESA-N 0 1 222.336 2.057 20 0 BEADMN CO[C@@H]1CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929789643 646316372 /nfs/dbraw/zinc/31/63/72/646316372.db2.gz XPUYNBWVCUFNCF-GXSJLCMTSA-N 0 1 224.279 2.002 20 0 BEADMN CCCC1(CN[C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000925538996 646322395 /nfs/dbraw/zinc/32/23/95/646322395.db2.gz VGRFBZFBFNKZAA-WDEREUQCSA-N 0 1 234.347 2.454 20 0 BEADMN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ncco1 ZINC000925552201 646329221 /nfs/dbraw/zinc/32/92/21/646329221.db2.gz WDIQZEJFKVILNU-SCZZXKLOSA-N 0 1 232.287 2.126 20 0 BEADMN Cc1nc(C)c(CN2CCSC(C)(C)C2)[nH]1 ZINC000929814317 646333981 /nfs/dbraw/zinc/33/39/81/646333981.db2.gz XUDKBGHOCUIKLG-UHFFFAOYSA-N 0 1 239.388 2.354 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2ncccn2)C1 ZINC000929824185 646338682 /nfs/dbraw/zinc/33/86/82/646338682.db2.gz UNYMQLHTQNPOHF-GHMZBOCLSA-N 0 1 205.305 2.270 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC[S@](=O)C(F)(F)F ZINC000929827265 646341665 /nfs/dbraw/zinc/34/16/65/646341665.db2.gz BFRIDACCNVOWLY-FWZFKDBCSA-N 0 1 243.294 2.128 20 0 BEADMN CCc1ncc(CN(C)CC(C)(C)OC)o1 ZINC000929830211 646345925 /nfs/dbraw/zinc/34/59/25/646345925.db2.gz CBQYDRKHAFSHSM-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H](C)CC(C)C ZINC000925601108 646352603 /nfs/dbraw/zinc/35/26/03/646352603.db2.gz KIRNOUPTGNGNIK-DTWKUNHWSA-N 0 1 211.309 2.463 20 0 BEADMN COC/C(C)=C/CN1CCOC(C)(C)[C@H]1C ZINC000929840690 646353538 /nfs/dbraw/zinc/35/35/38/646353538.db2.gz FJBGXXSLIYZQMA-IGEMTJHASA-N 0 1 227.348 2.078 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC(C(F)F)CC1 ZINC000929844164 646354842 /nfs/dbraw/zinc/35/48/42/646354842.db2.gz CXNZMLGNSPGUBG-CLFYSBASSA-N 0 1 247.285 2.083 20 0 BEADMN CCN(C(=O)c1cccc(F)c1O)C1CC1 ZINC000929862633 646363981 /nfs/dbraw/zinc/36/39/81/646363981.db2.gz BBNXUNRJBZTVPR-UHFFFAOYSA-N 0 1 223.247 2.156 20 0 BEADMN Cn1ccc(CN[C@H]2CCOC23CCCCC3)n1 ZINC000925660349 646396241 /nfs/dbraw/zinc/39/62/41/646396241.db2.gz LMKYLNZFCZZCEV-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN CCc1onc(C)c1CN1CCCOC[C@H]1C ZINC000930067649 646416873 /nfs/dbraw/zinc/41/68/73/646416873.db2.gz NFCJIIKPXOKKJG-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN c1nc(C2CC2)oc1CN1CC[C@H]2C[C@H]21 ZINC000930121923 646444608 /nfs/dbraw/zinc/44/46/08/646444608.db2.gz KMFYVMCSEXQESJ-GXSJLCMTSA-N 0 1 204.273 2.146 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CC[C@@H](C(F)F)C1 ZINC000930128650 646449866 /nfs/dbraw/zinc/44/98/66/646449866.db2.gz WSHBKVKOYHGTDX-IVZWLZJFSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC[C@@](C)(O)C1 ZINC000930147631 646458760 /nfs/dbraw/zinc/45/87/60/646458760.db2.gz VPJHEBUBYNMSSY-ZWNOBZJWSA-N 0 1 238.306 2.129 20 0 BEADMN O=C(NCC1CCC1)c1cccc(F)c1O ZINC000930152738 646462252 /nfs/dbraw/zinc/46/22/52/646462252.db2.gz JMLIIXRVPWVXDF-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN C[C@@H](N[C@H](C)C1(C)CC1)c1cc(CO)on1 ZINC000925775278 646475391 /nfs/dbraw/zinc/47/53/91/646475391.db2.gz FHBIYQFURZHPDX-RKDXNWHRSA-N 0 1 224.304 2.006 20 0 BEADMN COCC1(C)CCN([C@@H](C)c2ncccn2)CC1 ZINC000930180080 646483098 /nfs/dbraw/zinc/48/30/98/646483098.db2.gz UAZWJQVPLKXXDO-LBPRGKRZSA-N 0 1 249.358 2.286 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@@H]2CNOC2)c2sccc21 ZINC000925860263 646512498 /nfs/dbraw/zinc/51/24/98/646512498.db2.gz OHVTYGMTHGDGDZ-FXPVBKGRSA-N 0 1 238.356 2.180 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1ccc(Cl)c(F)c1 ZINC000925866011 646517991 /nfs/dbraw/zinc/51/79/91/646517991.db2.gz IRVUQSFFLSGFLR-IONNQARKSA-N 0 1 244.697 2.033 20 0 BEADMN Cc1cc(C)c([C@H](C)N[C@@H]2CNOC2)cc1C ZINC000925865932 646518933 /nfs/dbraw/zinc/51/89/33/646518933.db2.gz QPYMCXFUTJNAGR-QWHCGFSZSA-N 0 1 234.343 2.166 20 0 BEADMN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@H]1CNOC1 ZINC000925870263 646522522 /nfs/dbraw/zinc/52/25/22/646522522.db2.gz CHQRRQUKFKQPDD-GMXVVIOVSA-N 0 1 232.327 2.036 20 0 BEADMN C[C@@H]1COC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000925883572 646532625 /nfs/dbraw/zinc/53/26/25/646532625.db2.gz KOHIKEOWLKCSTL-MFKMUULPSA-N 0 1 235.302 2.439 20 0 BEADMN COCC1(N[C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000925924278 646542453 /nfs/dbraw/zinc/54/24/53/646542453.db2.gz SGSPWEWUCHZVTI-LLVKDONJSA-N 0 1 249.358 2.049 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCC(F)(F)C2)c2ncnn21 ZINC000925929844 646543655 /nfs/dbraw/zinc/54/36/55/646543655.db2.gz SDDRKEDKGIRNSY-VGMNWLOBSA-N 0 1 242.273 2.061 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)C[C@@H](C)O ZINC000926130531 646580417 /nfs/dbraw/zinc/58/04/17/646580417.db2.gz LTWCZOPYPXCASA-NGZCFLSTSA-N 0 1 238.331 2.109 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)C[C@H](C)O ZINC000926130532 646580779 /nfs/dbraw/zinc/58/07/79/646580779.db2.gz LTWCZOPYPXCASA-QXEWZRGKSA-N 0 1 238.331 2.109 20 0 BEADMN COc1cc([C@@H](C)NC[C@H]2CCC=CO2)on1 ZINC000926232390 646601705 /nfs/dbraw/zinc/60/17/05/646601705.db2.gz SSLRIMDDLGXQAU-NXEZZACHSA-N 0 1 238.287 2.027 20 0 BEADMN Cc1nonc1[C@H](C)NCC1CC(C)(C)C1 ZINC000926240041 646602637 /nfs/dbraw/zinc/60/26/37/646602637.db2.gz WAZICQWSSMULIL-QMMMGPOBSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000926285486 646611662 /nfs/dbraw/zinc/61/16/62/646611662.db2.gz RZASNJCXGOIWDE-WCBMZHEXSA-N 0 1 221.304 2.361 20 0 BEADMN Cc1cscc1CN[C@H](C)c1cnnn1C ZINC000926305018 646614084 /nfs/dbraw/zinc/61/40/84/646614084.db2.gz XBKOGDODDFUUKX-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1nonc1[C@H](C)NCCC1(C)CC1 ZINC000926327243 646617080 /nfs/dbraw/zinc/61/70/80/646617080.db2.gz UJTRZTGODLNMHI-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000926345071 646621979 /nfs/dbraw/zinc/62/19/79/646621979.db2.gz BQGOETPTMDQCQZ-LNFKQOIKSA-N 0 1 220.320 2.062 20 0 BEADMN COc1cc([C@@H](C)NCCSC(C)C)on1 ZINC000926421799 646634738 /nfs/dbraw/zinc/63/47/38/646634738.db2.gz DVRTUKQZTQPTQG-SECBINFHSA-N 0 1 244.360 2.475 20 0 BEADMN CC[C@@H](CN[C@H]1CCCc2oc(C)nc21)OC ZINC000926458702 646645871 /nfs/dbraw/zinc/64/58/71/646645871.db2.gz YTXANSPUNLASKI-QWRGUYRKSA-N 0 1 238.331 2.375 20 0 BEADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1cnn(C)n1 ZINC000926481017 646654569 /nfs/dbraw/zinc/65/45/69/646654569.db2.gz FPNYWHBELBUGKJ-KPPDAEKUSA-N 0 1 236.363 2.290 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2COC[C@H]2C)o1 ZINC000926477325 646654839 /nfs/dbraw/zinc/65/48/39/646654839.db2.gz UPVISVSJBXRFHD-MWLCHTKSSA-N 0 1 238.331 2.060 20 0 BEADMN CC(C)n1cc([C@@H](C)NCC[C@@H](C)F)nn1 ZINC000926484826 646656714 /nfs/dbraw/zinc/65/67/14/646656714.db2.gz FMRNYCDZHLKGJF-NXEZZACHSA-N 0 1 228.315 2.258 20 0 BEADMN Cc1nonc1[C@@H](C)NC1(C(C)C)CC1 ZINC000926488945 646657579 /nfs/dbraw/zinc/65/75/79/646657579.db2.gz CZBCQCGBWNHGRQ-MRVPVSSYSA-N 0 1 209.293 2.217 20 0 BEADMN CCn1nc(C)c([C@H](C)NC2(C(C)C)CC2)n1 ZINC000926487975 646659378 /nfs/dbraw/zinc/65/93/78/646659378.db2.gz QKNLIRCUUUQLJA-JTQLQIEISA-N 0 1 236.363 2.446 20 0 BEADMN C[C@H](NCCC(C)(F)F)c1ncc[nH]1 ZINC000926495051 646662520 /nfs/dbraw/zinc/66/25/20/646662520.db2.gz MQGNBAZVGFBIAF-ZETCQYMHSA-N 0 1 203.236 2.106 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCC(C)(F)F)n1 ZINC000926494416 646662640 /nfs/dbraw/zinc/66/26/40/646662640.db2.gz GAVKGYYJAXYCAC-QMMMGPOBSA-N 0 1 246.305 2.302 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC2(CC)CC2)n1 ZINC000926509518 646667035 /nfs/dbraw/zinc/66/70/35/646667035.db2.gz OFRFJKREDJDYHB-SECBINFHSA-N 0 1 222.336 2.200 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCc1cccs1)C1CC1 ZINC000383542108 711593429 /nfs/dbraw/zinc/59/34/29/711593429.db2.gz OSJRYNKKIXKKHY-SECBINFHSA-N 0 1 239.340 2.228 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](OC(C)C)C2)[nH]1 ZINC000724776029 711612621 /nfs/dbraw/zinc/61/26/21/711612621.db2.gz UCPGBEXQVYSYNQ-GFCCVEGCSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@H]2CCCCO2)[nH]1 ZINC000724782502 711612646 /nfs/dbraw/zinc/61/26/46/711612646.db2.gz CHTXLUCTLHQQAS-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccon2)CCS1 ZINC000725652298 711668320 /nfs/dbraw/zinc/66/83/20/711668320.db2.gz FKGMEONUDYYQGO-RKDXNWHRSA-N 0 1 212.318 2.048 20 0 BEADMN COCC[C@@H](C)N1CCC=C(Br)C1 ZINC000393705236 711676420 /nfs/dbraw/zinc/67/64/20/711676420.db2.gz CISOUWSAYKJZGT-SECBINFHSA-N 0 1 248.164 2.396 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1cc(O)ccc1Cl ZINC000926854094 711689029 /nfs/dbraw/zinc/68/90/29/711689029.db2.gz CYMOKZNWOKOFAZ-PELKAZGASA-N 0 1 241.718 2.170 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N(CC)CCSC ZINC000930824158 711704353 /nfs/dbraw/zinc/70/43/53/711704353.db2.gz AORCAPXGASSXEQ-QWRGUYRKSA-N 0 1 247.404 2.259 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(C(F)F)CC2)n1 ZINC000700029696 711983794 /nfs/dbraw/zinc/98/37/94/711983794.db2.gz WNNNOFCBGVTNOL-ZCFIWIBFSA-N 0 1 231.246 2.022 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701453322 712023826 /nfs/dbraw/zinc/02/38/26/712023826.db2.gz MVHPOFJCZNFFSL-AAEUAGOBSA-N 0 1 225.332 2.219 20 0 BEADMN CCC(=O)N[C@@H]1CCCCN(C[C@H](F)CC)C1 ZINC001034061886 712038144 /nfs/dbraw/zinc/03/81/44/712038144.db2.gz ZOMKFQDXIUIQMM-VXGBXAGGSA-N 0 1 244.354 2.115 20 0 BEADMN CCc1nnc(CNCC(C)(C)SC)s1 ZINC000702680940 712059478 /nfs/dbraw/zinc/05/94/78/712059478.db2.gz JTUHGWYBUMYKJB-UHFFFAOYSA-N 0 1 245.417 2.332 20 0 BEADMN Cc1cnc([C@@H](C)NC2CCC(C)(O)CC2)o1 ZINC000703011020 712064748 /nfs/dbraw/zinc/06/47/48/712064748.db2.gz QCFGMIAVZAZGDP-XSRFYTQQSA-N 0 1 238.331 2.327 20 0 BEADMN Cc1cnc([C@H](C)NC2CCC(C)(O)CC2)o1 ZINC000703011022 712064767 /nfs/dbraw/zinc/06/47/67/712064767.db2.gz QCFGMIAVZAZGDP-ZBOXLXRLSA-N 0 1 238.331 2.327 20 0 BEADMN CC[C@H](N[C@@H]1CNOC1)c1ccc(Cl)cc1 ZINC000703333944 712070393 /nfs/dbraw/zinc/07/03/93/712070393.db2.gz KCZAVRXPJHYRGK-NEPJUHHUSA-N 0 1 240.734 2.284 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nocc1C ZINC000708236362 712183760 /nfs/dbraw/zinc/18/37/60/712183760.db2.gz YCTRERSWIPJKOF-JQWIXIFHSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H](C[N@H+]1CCSC[C@@H]1C(=O)[O-])C(C)(C)C ZINC000710759191 712256570 /nfs/dbraw/zinc/25/65/70/712256570.db2.gz OUOBWBPOXVOHMB-VHSXEESVSA-N 0 1 245.388 2.171 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1ccc(Cl)o1 ZINC000710909380 712262359 /nfs/dbraw/zinc/26/23/59/712262359.db2.gz YKUDUCJMFBSLHZ-CBAPKCEASA-N 0 1 215.680 2.058 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710923876 712265891 /nfs/dbraw/zinc/26/58/91/712265891.db2.gz IHBYHKOHCIUASF-WRWGMCAJSA-N 0 1 223.316 2.114 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1ccnc(Cl)c1Cl ZINC000378729303 712359198 /nfs/dbraw/zinc/35/91/98/712359198.db2.gz KHBGICHOALQOJF-HTQZYQBOSA-N 0 1 247.125 2.001 20 0 BEADMN CC[C@@]1(NC/C(Cl)=C/Cl)CCOC1 ZINC000379393353 712381236 /nfs/dbraw/zinc/38/12/36/712381236.db2.gz ULWRVFDGQNKVSN-BZJXQOFCSA-N 0 1 224.131 2.464 20 0 BEADMN CN(C/C=C\Cl)C[C@@H]1CCCCO1 ZINC000379398908 712382695 /nfs/dbraw/zinc/38/26/95/712382695.db2.gz FZWRXAOTVHWKDI-OAQKJQOQSA-N 0 1 203.713 2.240 20 0 BEADMN Cn1cnc(CNCC2=CCCCC2)c1 ZINC000379584979 712389344 /nfs/dbraw/zinc/38/93/44/712389344.db2.gz XAANSPJFYFPCLY-UHFFFAOYSA-N 0 1 205.305 2.010 20 0 BEADMN Cc1cc(C(C)C)nc(NC[C@@H]2CCN2C)n1 ZINC000712610516 712437711 /nfs/dbraw/zinc/43/77/11/712437711.db2.gz YWZRFLZPLILKFV-NSHDSACASA-N 0 1 234.347 2.024 20 0 BEADMN COC(=O)c1ccccc1CN(C)CCCF ZINC000714952340 712503621 /nfs/dbraw/zinc/50/36/21/712503621.db2.gz DUWVNORNAJPPAQ-UHFFFAOYSA-N 0 1 239.290 2.265 20 0 BEADMN COC(=O)c1sccc1CN[C@@H]1CC12CC2 ZINC000715627220 712528143 /nfs/dbraw/zinc/52/81/43/712528143.db2.gz LVYVTKNQHBKWDU-SECBINFHSA-N 0 1 237.324 2.177 20 0 BEADMN CCCn1cc([C@@H](C)NCCCSC)nn1 ZINC000715894722 712540844 /nfs/dbraw/zinc/54/08/44/712540844.db2.gz JVHKDDWGTFTMKY-SNVBAGLBSA-N 0 1 242.392 2.092 20 0 BEADMN CCCn1cc([C@@H](C)N[C@H](C)CSC)nn1 ZINC000715898264 712541414 /nfs/dbraw/zinc/54/14/14/712541414.db2.gz UNKMJPPCWVQRGH-NXEZZACHSA-N 0 1 242.392 2.090 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)o1 ZINC000716655657 712568852 /nfs/dbraw/zinc/56/88/52/712568852.db2.gz CNQDJLCTBPIHSK-QTKMDUPCSA-N 0 1 220.316 2.365 20 0 BEADMN O=C([O-])CC[N@@H+](CCCC1CC1)CC1CC1 ZINC000717146713 712637215 /nfs/dbraw/zinc/63/72/15/712637215.db2.gz USKKYXIPWOEOEC-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cc(CNCC[C@@H]2CC(C)(C)CO2)no1 ZINC000717315396 712646881 /nfs/dbraw/zinc/64/68/81/712646881.db2.gz XXLJKUIAXWRMOT-GFCCVEGCSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1(C)CCC1 ZINC000925498510 712699372 /nfs/dbraw/zinc/69/93/72/712699372.db2.gz PYNJFEIPPYQKDM-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN Clc1nccc(CN[C@@H]2CCOC2)c1Cl ZINC000380182761 712706244 /nfs/dbraw/zinc/70/62/44/712706244.db2.gz MKXSXEFNPAUWMT-MRVPVSSYSA-N 0 1 247.125 2.267 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccsc2C)n[nH]1 ZINC000392426028 712725049 /nfs/dbraw/zinc/72/50/49/712725049.db2.gz VLAQVUPRJUIAEP-SSDOTTSWSA-N 0 1 236.344 2.334 20 0 BEADMN CC(F)(F)CCCSc1nc(N)cc(N)n1 ZINC000718710693 712777830 /nfs/dbraw/zinc/77/78/30/712777830.db2.gz XCXUUGZEOUTWAS-UHFFFAOYSA-N 0 1 248.302 2.169 20 0 BEADMN CCC[C@]1(NCc2nocc2C)CCOC1 ZINC000720354588 712833520 /nfs/dbraw/zinc/83/35/20/712833520.db2.gz GMVQSNVBWCZTJL-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN CS[C@H]1CC[C@H](NCc2cc(C)on2)C1 ZINC000720411373 712840741 /nfs/dbraw/zinc/84/07/41/712840741.db2.gz GNMVLCRZYSGQMZ-ONGXEEELSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@@H](CF)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000720753561 712863782 /nfs/dbraw/zinc/86/37/82/712863782.db2.gz CUFFDZSEMSVCFX-VHSXEESVSA-N 0 1 223.291 2.458 20 0 BEADMN Cc1nnsc1CNC1(C)CC(F)(F)C1 ZINC000720923812 712878876 /nfs/dbraw/zinc/87/88/76/712878876.db2.gz RAUIFUXOIFCZLM-UHFFFAOYSA-N 0 1 233.287 2.124 20 0 BEADMN Cc1noc([C@@H](N[C@H](C)C2CC2)C(C)C)n1 ZINC000167719725 1166397429 /nfs/dbraw/zinc/39/74/29/1166397429.db2.gz HGHYYUCXHZURJZ-KCJUWKMLSA-N 0 1 223.320 2.463 20 0 BEADMN C[C@H]1CC[C@H]1NCc1nccc(C(F)F)n1 ZINC000381457329 710638250 /nfs/dbraw/zinc/63/82/50/710638250.db2.gz IVRNFGQVTBFLKP-JGVFFNPUSA-N 0 1 227.258 2.302 20 0 BEADMN ClC1(Cl)C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000381495995 710646520 /nfs/dbraw/zinc/64/65/20/710646520.db2.gz BSYAOTJAPBINEQ-NTSWFWBYSA-N 0 1 248.113 2.155 20 0 BEADMN CCCCN1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001042598547 710795027 /nfs/dbraw/zinc/79/50/27/710795027.db2.gz VIKRIJSEJDOIQT-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCCOC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153007480 710894071 /nfs/dbraw/zinc/89/40/71/710894071.db2.gz HOISQXHUDPXMQE-UTUOFQBUSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1[nH+]c(N2CC[C@H](C)[C@@H]2C)ccc1C(=O)[O-] ZINC000380598128 712901787 /nfs/dbraw/zinc/90/17/87/712901787.db2.gz UCHYNKSVWSWBDL-WPRPVWTQSA-N 0 1 234.299 2.323 20 0 BEADMN Cc1[nH+]c(N2CC[C@H](C)[C@H]2C)ccc1C(=O)[O-] ZINC000380598124 712901882 /nfs/dbraw/zinc/90/18/82/712901882.db2.gz UCHYNKSVWSWBDL-WCBMZHEXSA-N 0 1 234.299 2.323 20 0 BEADMN CSC(C)(C)CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000385808957 711018208 /nfs/dbraw/zinc/01/82/08/711018208.db2.gz HWXVVUAOILCWLK-VIFPVBQESA-N 0 1 233.377 2.171 20 0 BEADMN CSC(C)(C)CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000385861606 711019261 /nfs/dbraw/zinc/01/92/61/711019261.db2.gz SDJAYYUVMGGISF-LBPRGKRZSA-N 0 1 245.388 2.315 20 0 BEADMN CCC[C@@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])OC ZINC000386113079 711022341 /nfs/dbraw/zinc/02/23/41/711022341.db2.gz LUBDAQLKNVURRV-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN FCCCCNCc1cnn(-c2ccccc2)n1 ZINC000386439054 711029021 /nfs/dbraw/zinc/02/90/21/711029021.db2.gz CCTSQNVPPJSXSI-UHFFFAOYSA-N 0 1 248.305 2.107 20 0 BEADMN CCOCCN(C)C[C@H]1CC1(Cl)Cl ZINC000388357581 711059591 /nfs/dbraw/zinc/05/95/91/711059591.db2.gz RISYVBIOVZPOSF-MRVPVSSYSA-N 0 1 226.147 2.149 20 0 BEADMN Cc1ccsc1[C@@H](CO)NC/C=C\Cl ZINC000388757961 711067178 /nfs/dbraw/zinc/06/71/78/711067178.db2.gz SKRQQJZITGQGOH-FIFYQCSRSA-N 0 1 231.748 2.432 20 0 BEADMN C[C@@](CO)(NC/C=C\Cl)c1ccccc1 ZINC000389608265 711083105 /nfs/dbraw/zinc/08/31/05/711083105.db2.gz DPRWCVKAKUBZMV-JECSTDCCSA-N 0 1 225.719 2.236 20 0 BEADMN OCC[C@H](NCC1(F)CC1)c1cccs1 ZINC000389855226 711092879 /nfs/dbraw/zinc/09/28/79/711092879.db2.gz ANADZTWCJAFELR-VIFPVBQESA-N 0 1 229.320 2.263 20 0 BEADMN N#Cc1ccc(CNCC2(F)CC2)cc1 ZINC000389861836 711093645 /nfs/dbraw/zinc/09/36/45/711093645.db2.gz DTNJGVYAEUWSCR-UHFFFAOYSA-N 0 1 204.248 2.150 20 0 BEADMN Cc1nonc1CN[C@@H](C)CC1CCCC1 ZINC000390191854 711109220 /nfs/dbraw/zinc/10/92/20/711109220.db2.gz NSAHWAVJHQLCKK-VIFPVBQESA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nnc(CNCCc2ccsc2)s1 ZINC000392046607 711143410 /nfs/dbraw/zinc/14/34/10/711143410.db2.gz NAJPCZGZQAWMSS-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Cc1cc([C@H](C)NC2CC(F)(F)C2)n(C)n1 ZINC000390613046 711127742 /nfs/dbraw/zinc/12/77/42/711127742.db2.gz FRICBSXWPYQYFA-QMMMGPOBSA-N 0 1 229.274 2.177 20 0 BEADMN CSC(C)(C)CCNCc1nnc(C)s1 ZINC000391882427 711140879 /nfs/dbraw/zinc/14/08/79/711140879.db2.gz ZIXHSBCKUQUBGT-UHFFFAOYSA-N 0 1 245.417 2.468 20 0 BEADMN C[C@@H](N[C@@H]1CC2CCC1CC2)c1ncn(C)n1 ZINC000391870100 711141010 /nfs/dbraw/zinc/14/10/10/711141010.db2.gz FLJHIWPYVZRYGW-HBIQZDMRSA-N 0 1 234.347 2.044 20 0 BEADMN Cc1nnc(CNC[C@H]2CCCC2(F)F)s1 ZINC000391890632 711141898 /nfs/dbraw/zinc/14/18/98/711141898.db2.gz CSPSOQOYZFMSPK-MRVPVSSYSA-N 0 1 247.314 2.372 20 0 BEADMN CCCCNCc1nn(C)cc1Br ZINC000393323802 711157741 /nfs/dbraw/zinc/15/77/41/711157741.db2.gz JRDJDTMSAHEENC-UHFFFAOYSA-N 0 1 246.152 2.072 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NC/C(Cl)=C\Cl ZINC000393550524 711163474 /nfs/dbraw/zinc/16/34/74/711163474.db2.gz CYARENWZAZOVRX-IFPZVHCUSA-N 0 1 224.131 2.463 20 0 BEADMN COC(=O)CC(C)(C)NC/C(Cl)=C/Cl ZINC000393690809 711169631 /nfs/dbraw/zinc/16/96/31/711169631.db2.gz OFHVUIDFSYPNHD-ALCCZGGFSA-N 0 1 240.130 2.237 20 0 BEADMN C/C=C/C=C/c1nc([C@@H](N)C(C)C)no1 ZINC000393753037 711172703 /nfs/dbraw/zinc/17/27/03/711172703.db2.gz FSUAPPGTOOSNFX-KPMJTYEXSA-N 0 1 207.277 2.315 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)C[C@H]1CC ZINC000399497628 711430665 /nfs/dbraw/zinc/43/06/65/711430665.db2.gz BXYWRHAXADYUFJ-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCC1CCC1 ZINC000398741365 711414135 /nfs/dbraw/zinc/41/41/35/711414135.db2.gz QTXJGQWKKQGZPC-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CSC1(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC000380874059 710593079 /nfs/dbraw/zinc/59/30/79/710593079.db2.gz WMKVRXIMLNMLTO-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCSC(C)(C)C ZINC000380901234 710594377 /nfs/dbraw/zinc/59/43/77/710594377.db2.gz XHSGCVLZTSUFCR-VHSXEESVSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@H](C)[C@H](CNc1ccc2c(n1)CCC2)OC ZINC000381212283 710609322 /nfs/dbraw/zinc/60/93/22/710609322.db2.gz XTIBVDRNMPBHGW-FZMZJTMJSA-N 0 1 248.370 2.465 20 0 BEADMN CC[C@H](C)[C@@H](CNc1ccc2c(n1)CCC2)OC ZINC000381212286 710609467 /nfs/dbraw/zinc/60/94/67/710609467.db2.gz XTIBVDRNMPBHGW-SMDDNHRTSA-N 0 1 248.370 2.465 20 0 BEADMN C[C@]1(NCc2cccnc2Cl)CCCOC1 ZINC000381487236 710644411 /nfs/dbraw/zinc/64/44/11/710644411.db2.gz VXGFDPMZVBMVFU-LBPRGKRZSA-N 0 1 240.734 2.394 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000723141388 710725795 /nfs/dbraw/zinc/72/57/95/710725795.db2.gz ATKUFHQERRIZPD-WYUUTHIRSA-N 0 1 225.332 2.075 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000383609053 710984898 /nfs/dbraw/zinc/98/48/98/710984898.db2.gz MDLMMSCQFMZYHU-GXFFZTMASA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H]1CC[C@H]1NCc1cnn(-c2ccccc2)n1 ZINC000384975289 711001369 /nfs/dbraw/zinc/00/13/69/711001369.db2.gz HVONOMBPYHNAFK-SMDDNHRTSA-N 0 1 242.326 2.155 20 0 BEADMN CSC1(CN[C@H](C)c2nnc(C)[nH]2)CCC1 ZINC000392345228 711145329 /nfs/dbraw/zinc/14/53/29/711145329.db2.gz FFWMREHSMPKOPF-MRVPVSSYSA-N 0 1 240.376 2.049 20 0 BEADMN Cc1ccc(CN[C@H](C)c2n[nH]c(C)n2)s1 ZINC000392419341 711147020 /nfs/dbraw/zinc/14/70/20/711147020.db2.gz NSSKEISBICRZKL-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc(CN[C@@H](C)c2n[nH]c(C)n2)cs1 ZINC000392472909 711149304 /nfs/dbraw/zinc/14/93/04/711149304.db2.gz RFJLONCOKUZSOK-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN CC(C)(C)SCCNCc1cnccn1 ZINC000397458929 711382359 /nfs/dbraw/zinc/38/23/59/711382359.db2.gz PUCGSYGSCVVRIO-UHFFFAOYSA-N 0 1 225.361 2.098 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCC1CC1 ZINC000397498828 711383977 /nfs/dbraw/zinc/38/39/77/711383977.db2.gz PVHLEWHHEGJEDU-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722665682 711463746 /nfs/dbraw/zinc/46/37/46/711463746.db2.gz QXOQLOBVOCUXAO-IJLUTSLNSA-N 0 1 248.326 2.185 20 0 BEADMN Cc1[nH+]c(NCCC2CC2)ccc1C(=O)[O-] ZINC000133901033 711475107 /nfs/dbraw/zinc/47/51/07/711475107.db2.gz NCUHIHCJTPJZQV-UHFFFAOYSA-N 0 1 220.272 2.300 20 0 BEADMN CC(C)(CO)CSc1n[nH]c(C(C)(C)C)n1 ZINC000713453643 711489996 /nfs/dbraw/zinc/48/99/96/711489996.db2.gz DEGJIISDUARYMJ-UHFFFAOYSA-N 0 1 243.376 2.213 20 0 BEADMN CC[C@@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000134182865 711489981 /nfs/dbraw/zinc/48/99/81/711489981.db2.gz XCTCPAHYHRZCNH-RXMQYKEDSA-N 0 1 225.683 2.217 20 0 BEADMN CC(C)(CO)CSc1nc(C(C)(C)C)n[nH]1 ZINC000713453643 711489995 /nfs/dbraw/zinc/48/99/95/711489995.db2.gz DEGJIISDUARYMJ-UHFFFAOYSA-N 0 1 243.376 2.213 20 0 BEADMN C[C@@]1(CO)CCCN1CC=C(Cl)Cl ZINC000723039124 711496927 /nfs/dbraw/zinc/49/69/27/711496927.db2.gz HZRVTRAGLNJOIL-VIFPVBQESA-N 0 1 224.131 2.152 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000723141386 711506876 /nfs/dbraw/zinc/50/68/76/711506876.db2.gz ATKUFHQERRIZPD-WISYIIOYSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)CN(C)Cn1ccc(Br)n1 ZINC000308140477 711509926 /nfs/dbraw/zinc/50/99/26/711509926.db2.gz ICRWZSFGQSOPTQ-UHFFFAOYSA-N 0 1 246.152 2.191 20 0 BEADMN COC[C@@H]1COCCN1CCC1=CCCCC1 ZINC000933329424 711520254 /nfs/dbraw/zinc/52/02/54/711520254.db2.gz IOUUXMMZRJASAR-CQSZACIVSA-N 0 1 239.359 2.224 20 0 BEADMN CC(F)(F)CN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723624928 711526860 /nfs/dbraw/zinc/52/68/60/711526860.db2.gz MVAPNNMLBFVMMQ-GARJFASQSA-N 0 1 233.302 2.436 20 0 BEADMN CC[C@@H](NCc1ncc(C)o1)[C@H]1CCCOC1 ZINC000724006049 711554663 /nfs/dbraw/zinc/55/46/63/711554663.db2.gz JEYLJOCYUUSLDL-NWDGAFQWSA-N 0 1 238.331 2.278 20 0 BEADMN CCCCC1(N[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000934201008 711574588 /nfs/dbraw/zinc/57/45/88/711574588.db2.gz RHQWSSMLRKFSKM-VIFPVBQESA-N 0 1 222.336 2.487 20 0 BEADMN Cc1cc(CNCc2nc(C(C)(C)C)co2)n[nH]1 ZINC000724423811 711579469 /nfs/dbraw/zinc/57/94/69/711579469.db2.gz CMFHMIFKCDGOFJ-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN CCC[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CC1 ZINC000721531696 711618208 /nfs/dbraw/zinc/61/82/08/711618208.db2.gz PSNGYIPZHRSNSM-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN CC[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CC1 ZINC000721528623 711618830 /nfs/dbraw/zinc/61/88/30/711618830.db2.gz ATQYKSNSTIPZTH-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CC[N@H+](Cc1cncc(C(=O)[O-])c1)CC(C)C ZINC000721541856 711619961 /nfs/dbraw/zinc/61/99/61/711619961.db2.gz QLPKKYIGHBOVAR-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN C[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CCCC1 ZINC000721538555 711620007 /nfs/dbraw/zinc/62/00/07/711620007.db2.gz DXVUOVZFCCYOES-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721549122 711622511 /nfs/dbraw/zinc/62/25/11/711622511.db2.gz ZCPSEOHYMDPFIP-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701502302 711676561 /nfs/dbraw/zinc/67/65/61/711676561.db2.gz HPXFFHWBRDNWTC-MDZLAQPJSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cnccc1-c1noc([C@@H](CC)NC)n1 ZINC000167497687 711684023 /nfs/dbraw/zinc/68/40/23/711684023.db2.gz YIEXBRDUCBEQPG-LLVKDONJSA-N 0 1 246.314 2.365 20 0 BEADMN C[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1C(=O)[O-] ZINC000394527182 711688562 /nfs/dbraw/zinc/68/85/62/711688562.db2.gz YYBRMMIRWUSVFO-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C)C[C@@H](NCc2cc(C#N)ccc2F)CO1 ZINC000396549790 711701700 /nfs/dbraw/zinc/70/17/00/711701700.db2.gz RGDNQEBFDCRXKY-GFCCVEGCSA-N 0 1 248.301 2.354 20 0 BEADMN Cc1[nH+]c(N2CCC(C)(C)C2)ccc1C(=O)[O-] ZINC000124323727 711711300 /nfs/dbraw/zinc/71/13/00/711711300.db2.gz JJJZRWIWMQTFCB-UHFFFAOYSA-N 0 1 234.299 2.325 20 0 BEADMN Cc1cc(C)cc(CC[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000257637713 711719426 /nfs/dbraw/zinc/71/94/26/711719426.db2.gz ACQKICNVKOLQOL-AWEZNQCLSA-N 0 1 247.338 2.252 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000257649048 711723075 /nfs/dbraw/zinc/72/30/75/711723075.db2.gz FJFYPUSQCPGLDE-MRVPVSSYSA-N 0 1 243.690 2.372 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CC1CCSCC1 ZINC000257664728 711724710 /nfs/dbraw/zinc/72/47/10/711724710.db2.gz KAEOVJMBZRUCKP-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN c1csc(CNC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722313815 711734406 /nfs/dbraw/zinc/73/44/06/711734406.db2.gz SOURXHLTTNHUIV-MNOVXSKESA-N 0 1 238.356 2.190 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1nccn1C ZINC000722314721 711734545 /nfs/dbraw/zinc/73/45/45/711734545.db2.gz DZBOJPVYARLGEZ-UHTWSYAYSA-N 0 1 249.358 2.028 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1cnsn1 ZINC000399746010 711759764 /nfs/dbraw/zinc/75/97/64/711759764.db2.gz DMMOABGOLRKENH-WPRPVWTQSA-N 0 1 211.334 2.206 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCC1(C)CCC1 ZINC000896867087 711782594 /nfs/dbraw/zinc/78/25/94/711782594.db2.gz BQXNQGXPUYTRGK-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](COC)C(C)C ZINC000721865002 711792231 /nfs/dbraw/zinc/79/22/31/711792231.db2.gz AUCPBPYKTXIIJZ-RYUDHWBXSA-N 0 1 245.363 2.090 20 0 BEADMN C[C@H]1C[C@@H]1CON=C(N)CN1CCCCCC1 ZINC000863456917 711794750 /nfs/dbraw/zinc/79/47/50/711794750.db2.gz OBKDTXNROBSLGO-NWDGAFQWSA-N 0 1 239.363 2.017 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721264342 711804945 /nfs/dbraw/zinc/80/49/45/711804945.db2.gz BKQNJBOBRBMDNU-TUAOUCFPSA-N 0 1 239.359 2.465 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(C)cc(C)n1 ZINC000907085229 711815097 /nfs/dbraw/zinc/81/50/97/711815097.db2.gz GINHDLWKGCDHJS-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000167583073 711830242 /nfs/dbraw/zinc/83/02/42/711830242.db2.gz POIIPKXVIDIBFX-MBACFSSFSA-N 0 1 231.361 2.091 20 0 BEADMN CSC(C)(C)CNCc1ncnn1C(C)C ZINC000229102584 711837705 /nfs/dbraw/zinc/83/77/05/711837705.db2.gz MSNOYGILOOIZBD-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCCCC2)CCN1 ZINC000088059257 711841028 /nfs/dbraw/zinc/84/10/28/711841028.db2.gz CXKCCKCCHVAWPL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032421239 711918205 /nfs/dbraw/zinc/91/82/05/711918205.db2.gz OXJIIPONVKLTMR-YDHLFZDLSA-N 0 1 248.370 2.038 20 0 BEADMN CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032568178 711925775 /nfs/dbraw/zinc/92/57/75/711925775.db2.gz WSYKCNHQQODLEN-YDHLFZDLSA-N 0 1 248.370 2.038 20 0 BEADMN CCCCOC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000132052849 711954000 /nfs/dbraw/zinc/95/40/00/711954000.db2.gz FSDUJPCFSOIFSG-TXEJJXNPSA-N 0 1 225.332 2.062 20 0 BEADMN Cc1nn(C)c(CN[C@H]2C=CCC2)c1Cl ZINC000700506059 711995049 /nfs/dbraw/zinc/99/50/49/711995049.db2.gz XGXKPLOQYUUOTP-VIFPVBQESA-N 0 1 225.723 2.190 20 0 BEADMN Cc1csc([C@H](C)NCCOC(F)F)n1 ZINC000701942700 712032631 /nfs/dbraw/zinc/03/26/31/712032631.db2.gz UJENVVHQNZJJHN-ZETCQYMHSA-N 0 1 236.287 2.341 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+](C1CCCC1)C2 ZINC000701448095 712023516 /nfs/dbraw/zinc/02/35/16/712023516.db2.gz WKEASQLBVIVVAD-GWCFXTLKSA-N 0 1 223.316 2.116 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701502379 712025298 /nfs/dbraw/zinc/02/52/98/712025298.db2.gz WQJSAMSWSPYYCC-FZMZJTMJSA-N 0 1 249.310 2.275 20 0 BEADMN O[C@@H](CN1CCC(F)CC1)c1ccccc1F ZINC000701924809 712033685 /nfs/dbraw/zinc/03/36/85/712033685.db2.gz OGHCIJMFCPAJBM-ZDUSSCGKSA-N 0 1 241.281 2.293 20 0 BEADMN O[C@H](CN1CCC(F)CC1)c1ccccc1F ZINC000701924808 712033865 /nfs/dbraw/zinc/03/38/65/712033865.db2.gz OGHCIJMFCPAJBM-CYBMUJFWSA-N 0 1 241.281 2.293 20 0 BEADMN C[C@H](CC1CCC1)NCc1ncccn1 ZINC000702398269 712048667 /nfs/dbraw/zinc/04/86/67/712048667.db2.gz XQHFWSSFFGRSMU-SNVBAGLBSA-N 0 1 205.305 2.145 20 0 BEADMN CCOCCCCNCc1nnc(CC)s1 ZINC000702705928 712059843 /nfs/dbraw/zinc/05/98/43/712059843.db2.gz KKMWTHIJVLNOOA-UHFFFAOYSA-N 0 1 243.376 2.007 20 0 BEADMN CCOC(=O)/C=C/CN1CCCC(F)(F)CC1 ZINC000702789622 712060929 /nfs/dbraw/zinc/06/09/29/712060929.db2.gz MSGAUBLKJZVKTJ-HWKANZROSA-N 0 1 247.285 2.227 20 0 BEADMN C/C(=C\C[N@@H+]1CCCC[C@H](C)C1)C(=O)[O-] ZINC000703659008 712083154 /nfs/dbraw/zinc/08/31/54/712083154.db2.gz OJLBHJYLIZHOBX-OTXQMUPVSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1[nH]ncc1CNC(=O)OC1CCCCC1 ZINC000704367316 712105177 /nfs/dbraw/zinc/10/51/77/712105177.db2.gz VCWBOWHEBVQEFE-UHFFFAOYSA-N 0 1 237.303 2.277 20 0 BEADMN CSC1CC(N[C@H](C)c2nnc(C)s2)C1 ZINC000706889965 712159051 /nfs/dbraw/zinc/15/90/51/712159051.db2.gz XGCHMUXVSLJJPC-KXNKJCORSA-N 0 1 243.401 2.391 20 0 BEADMN Cc1oc(C[N@H+]2CCC2(C)C)cc1C(=O)[O-] ZINC000706939911 712162203 /nfs/dbraw/zinc/16/22/03/712162203.db2.gz WRJOFVILHYUIOL-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CC(C)(C)CO2)o1 ZINC000708346918 712190113 /nfs/dbraw/zinc/19/01/13/712190113.db2.gz OHCIYTNNLFYHLR-LLVKDONJSA-N 0 1 238.331 2.196 20 0 BEADMN C[C@H](NCCC(C)(F)F)c1cn(C)cn1 ZINC000709904340 712232002 /nfs/dbraw/zinc/23/20/02/712232002.db2.gz LQZNNINXZKKHTP-QMMMGPOBSA-N 0 1 217.263 2.116 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1cn(C)cn1)OCC ZINC000709940958 712234369 /nfs/dbraw/zinc/23/43/69/712234369.db2.gz WIAUZSOKZRPQSB-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN CC(C)(C)CN1CCc2sc(CN)nc2C1 ZINC000710112207 712244710 /nfs/dbraw/zinc/24/47/10/712244710.db2.gz DANGQUXJFBERSH-UHFFFAOYSA-N 0 1 239.388 2.006 20 0 BEADMN C[C@@H](C[N@H+]1CCSC[C@H]1C(=O)[O-])C(C)(C)C ZINC000710759186 712256677 /nfs/dbraw/zinc/25/66/77/712256677.db2.gz OUOBWBPOXVOHMB-UWVGGRQHSA-N 0 1 245.388 2.171 20 0 BEADMN COC1(OC)CC[C@@H]1NCc1ccc(F)cc1 ZINC000711039574 712275766 /nfs/dbraw/zinc/27/57/66/712275766.db2.gz DEQKNQDUWUKIQC-LBPRGKRZSA-N 0 1 239.290 2.067 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1c(F)cccc1F ZINC000711078569 712278994 /nfs/dbraw/zinc/27/89/94/712278994.db2.gz SELLYJOAKUOCGV-PRHODGIISA-N 0 1 227.254 2.089 20 0 BEADMN CC1(C)CC[C@@H](CN[C@@H]2CCn3ccnc32)OC1 ZINC000711228215 712290022 /nfs/dbraw/zinc/29/00/22/712290022.db2.gz VQTAYVRMTPBYTG-NWDGAFQWSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1cn(C)cn1 ZINC000711424315 712299266 /nfs/dbraw/zinc/29/92/66/712299266.db2.gz SMMJATIODSCRPF-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](CF)C1 ZINC000711489294 712306565 /nfs/dbraw/zinc/30/65/65/712306565.db2.gz KOPJCCSAYVGLOO-DTWKUNHWSA-N 0 1 241.262 2.330 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@@H]1CCC3(CCC3)O1)CC2 ZINC000711514631 712307909 /nfs/dbraw/zinc/30/79/09/712307909.db2.gz DCRMPKRMIMQQGS-RYUDHWBXSA-N 0 1 247.342 2.019 20 0 BEADMN CC(C)=CC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711662648 712315464 /nfs/dbraw/zinc/31/54/64/712315464.db2.gz ITJRFOMTADVTTD-WCQYABFASA-N 0 1 223.316 2.282 20 0 BEADMN O=C(NC[C@H]1C=CCC1)c1ccc(F)cc1O ZINC000711726027 712322273 /nfs/dbraw/zinc/32/22/73/712322273.db2.gz DMBKRYCCPALMOA-VIFPVBQESA-N 0 1 235.258 2.227 20 0 BEADMN CCC[C@@H](CNCc1nccn1C1CC1)OC ZINC000711753840 712325073 /nfs/dbraw/zinc/32/50/73/712325073.db2.gz ZSBSYBIFJHPDEX-LBPRGKRZSA-N 0 1 237.347 2.123 20 0 BEADMN CS[C@@H](C)CNCc1nccn1C1CC1 ZINC000711805386 712331811 /nfs/dbraw/zinc/33/18/11/712331811.db2.gz RVKWBMQRNXDKTG-VIFPVBQESA-N 0 1 225.361 2.059 20 0 BEADMN CC(F)(F)CN[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711922538 712339574 /nfs/dbraw/zinc/33/95/74/712339574.db2.gz BBKKVRRQJPZCNY-GHMZBOCLSA-N 0 1 233.302 2.436 20 0 BEADMN Cn1ncc(CNCCC(F)(F)F)c1Cl ZINC000378725558 712358835 /nfs/dbraw/zinc/35/88/35/712358835.db2.gz AXJPXQYZMDWHCP-UHFFFAOYSA-N 0 1 241.644 2.116 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378745223 712360246 /nfs/dbraw/zinc/36/02/46/712360246.db2.gz RBTPCQPPFXRZKL-ONGXEEELSA-N 0 1 235.283 2.352 20 0 BEADMN CCc1ccc(CN2CCC[C@@H](C(C)=O)C2)nc1 ZINC000379245775 712371597 /nfs/dbraw/zinc/37/15/97/712371597.db2.gz YRWQIOMROICOLL-CQSZACIVSA-N 0 1 246.354 2.445 20 0 BEADMN CCSCSc1n[nH]c(CC)n1 ZINC000379330888 712373930 /nfs/dbraw/zinc/37/39/30/712373930.db2.gz YSGMJMFPMOUFFH-UHFFFAOYSA-N 0 1 203.336 2.170 20 0 BEADMN CCSCSc1nc(CC)n[nH]1 ZINC000379330888 712373931 /nfs/dbraw/zinc/37/39/31/712373931.db2.gz YSGMJMFPMOUFFH-UHFFFAOYSA-N 0 1 203.336 2.170 20 0 BEADMN CCC(F)(F)C[N@H+](CCC(=O)[O-])CC1CC1 ZINC000717185293 712385730 /nfs/dbraw/zinc/38/57/30/712385730.db2.gz HYTVFGDTTIVRFA-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000717185293 712385731 /nfs/dbraw/zinc/38/57/31/712385731.db2.gz HYTVFGDTTIVRFA-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN Cn1cncc1CNc1ccc2c(n1)CCCC2 ZINC000712395593 712429344 /nfs/dbraw/zinc/42/93/44/712429344.db2.gz XJYSINPCTZCKII-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN CN1CC[C@H]1CNCc1c(F)cccc1Cl ZINC000712563422 712446506 /nfs/dbraw/zinc/44/65/06/712446506.db2.gz JRTMWFFARWIYMK-VIFPVBQESA-N 0 1 242.725 2.273 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1scnc1Cl ZINC000713493310 712462609 /nfs/dbraw/zinc/46/26/09/712462609.db2.gz DAPBFRVZSLIQDJ-QMMMGPOBSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C/CCNCc1cn(C(C)(C)C)nn1 ZINC000713496117 712463171 /nfs/dbraw/zinc/46/31/71/712463171.db2.gz OAMJDMTUOISGAK-VOTSOKGWSA-N 0 1 234.347 2.255 20 0 BEADMN C=C/C=C/CCNCc1ncnn1C(C)C ZINC000713499800 712463410 /nfs/dbraw/zinc/46/34/10/712463410.db2.gz VKNFLEVGQWAFOF-AATRIKPKSA-N 0 1 220.320 2.081 20 0 BEADMN C=C/C=C\CC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000713717532 712469786 /nfs/dbraw/zinc/46/97/86/712469786.db2.gz PLWUQHIFWXPZPA-XLMCQVRKSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000713716894 712469814 /nfs/dbraw/zinc/46/98/14/712469814.db2.gz MKCFQJHWMGZNTB-FTKHWWAOSA-N 0 1 235.327 2.305 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000713710748 712469892 /nfs/dbraw/zinc/46/98/92/712469892.db2.gz FFRZNEKUXLQRIK-KTVCLWMCSA-N 0 1 235.327 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000713710745 712470049 /nfs/dbraw/zinc/47/00/49/712470049.db2.gz FFRZNEKUXLQRIK-DPBVVWTHSA-N 0 1 235.327 2.304 20 0 BEADMN C=C/C=C\CCNCc1nnc(CC)s1 ZINC000713761866 712471774 /nfs/dbraw/zinc/47/17/74/712471774.db2.gz KBDXXKUPALXHPQ-WAYWQWQTSA-N 0 1 223.345 2.322 20 0 BEADMN CCCn1cc(CN[C@@H](C)Cc2ccco2)nn1 ZINC000714499057 712492263 /nfs/dbraw/zinc/49/22/63/712492263.db2.gz ITCQISOKPTXPNC-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN C[N@@H+](CCCF)Cc1cc(C(=O)[O-])cs1 ZINC000714925923 712500636 /nfs/dbraw/zinc/50/06/36/712500636.db2.gz RYUNSWFLZPQZDM-UHFFFAOYSA-N 0 1 231.292 2.238 20 0 BEADMN CC(C)[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(=O)[O-] ZINC000715439547 712518832 /nfs/dbraw/zinc/51/88/32/712518832.db2.gz JDTNGYDYNQVVSX-NEPJUHHUSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715439038 712518937 /nfs/dbraw/zinc/51/89/37/712518937.db2.gz HJRKRHCICHABES-UPJWGTAASA-N 0 1 237.343 2.219 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000715444910 712519313 /nfs/dbraw/zinc/51/93/13/712519313.db2.gz DDBAREFCJMADCQ-WOPDTQHZSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715445751 712519325 /nfs/dbraw/zinc/51/93/25/712519325.db2.gz GKBNYHHNJQYVJI-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN CCCn1cc([C@@H](C)NC2CC(C)C2)nn1 ZINC000715840369 712535174 /nfs/dbraw/zinc/53/51/74/712535174.db2.gz FZMQNENLJZMKDJ-HSOILSAZSA-N 0 1 222.336 2.137 20 0 BEADMN CCCn1cc([C@@H](C)NCC2=CCCC2)nn1 ZINC000715858387 712536988 /nfs/dbraw/zinc/53/69/88/712536988.db2.gz GCIYLUWSWUJMLM-LLVKDONJSA-N 0 1 234.347 2.449 20 0 BEADMN CCCn1cc([C@H](C)N[C@H](C)CSC)nn1 ZINC000715898267 712541074 /nfs/dbraw/zinc/54/10/74/712541074.db2.gz UNKMJPPCWVQRGH-ZJUUUORDSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccco1)c1ccns1 ZINC000715993726 712551383 /nfs/dbraw/zinc/55/13/83/712551383.db2.gz WKTAXTXSAIKSQX-BDAKNGLRSA-N 0 1 238.312 2.120 20 0 BEADMN C[C@H](NC[C@H](O)c1ccco1)c1ccns1 ZINC000715993729 712551472 /nfs/dbraw/zinc/55/14/72/712551472.db2.gz WKTAXTXSAIKSQX-IUCAKERBSA-N 0 1 238.312 2.120 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2cccs2)n[nH]1 ZINC000716238013 712553166 /nfs/dbraw/zinc/55/31/66/712553166.db2.gz KXPHHBGHUMISSF-PLNGDYQASA-N 0 1 247.323 2.109 20 0 BEADMN N[C@@H](C(=O)NCCCCC1CC1)c1ccccc1 ZINC000716371242 712556828 /nfs/dbraw/zinc/55/68/28/712556828.db2.gz NCOZAWQREVYNGH-CQSZACIVSA-N 0 1 246.354 2.383 20 0 BEADMN COc1cccc(CNCc2[nH]nc(C)c2C)c1 ZINC000716440106 712560832 /nfs/dbraw/zinc/56/08/32/712560832.db2.gz KHBIKOCOTWCZCP-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000037256172 712560877 /nfs/dbraw/zinc/56/08/77/712560877.db2.gz SFVDVPCDMFOWPN-IACUBPJLSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1[nH]nc(CN[C@H](C)c2cscn2)c1C ZINC000716452964 712561831 /nfs/dbraw/zinc/56/18/31/712561831.db2.gz YNLGWVJQDPKOQL-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)c2cncs2)c1C ZINC000716451050 712562005 /nfs/dbraw/zinc/56/20/05/712562005.db2.gz MPOLIKYLEKZATJ-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000716450252 712562087 /nfs/dbraw/zinc/56/20/87/712562087.db2.gz KMZIXIDEIFHPNF-ZKKRXERASA-N 0 1 233.315 2.254 20 0 BEADMN Cc1n[nH]c(CNCc2ccc(C)nc2)c1C ZINC000716455896 712562354 /nfs/dbraw/zinc/56/23/54/712562354.db2.gz NKWINDAZOBJJKH-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CCCC(N)=NOCCCCC1(C)OCCO1 ZINC000853666905 712613755 /nfs/dbraw/zinc/61/37/55/712613755.db2.gz UAOFIBNPITVOIL-UHFFFAOYSA-N 0 1 244.335 2.218 20 0 BEADMN Cc1nonc1CN[C@@H](C)CC1CCC1 ZINC000379878311 712620000 /nfs/dbraw/zinc/62/00/00/712620000.db2.gz BDXOMLSWEYNHIW-QMMMGPOBSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000214724439 712642172 /nfs/dbraw/zinc/64/21/72/712642172.db2.gz ZIKKWMYFWQGCQT-PFEDMVJOSA-N 0 1 211.305 2.282 20 0 BEADMN CCS[C@H]1CCC[C@H]1NCc1nncs1 ZINC000930443326 712712313 /nfs/dbraw/zinc/71/23/13/712712313.db2.gz RMXRIUBSUFMKAD-BDAKNGLRSA-N 0 1 243.401 2.302 20 0 BEADMN CCS[C@@H]1CCC[C@@H]1NCc1nncs1 ZINC000930443327 712712439 /nfs/dbraw/zinc/71/24/39/712712439.db2.gz RMXRIUBSUFMKAD-DTWKUNHWSA-N 0 1 243.401 2.302 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](O)CC1 ZINC000930590629 712712860 /nfs/dbraw/zinc/71/28/60/712712860.db2.gz SBWQMGZFPXHXHM-ZYHUDNBSSA-N 0 1 238.306 2.129 20 0 BEADMN ClC(Cl)=CCN1CCC[C@H]1c1nnc[nH]1 ZINC000931143501 712713680 /nfs/dbraw/zinc/71/36/80/712713680.db2.gz VXPBPWYTTUVNFV-ZETCQYMHSA-N 0 1 247.129 2.261 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000080992162 712728779 /nfs/dbraw/zinc/72/87/79/712728779.db2.gz XNEQOXJKMXQRLH-GFCCVEGCSA-N 0 1 237.299 2.417 20 0 BEADMN CCCCC[N@@H+](CCC(=O)[O-])C(C)C ZINC000037654547 712735441 /nfs/dbraw/zinc/73/54/41/712735441.db2.gz MNHLZYINNIMFKI-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1coc(CNCCOCC2CC2)c1 ZINC000718111933 712744284 /nfs/dbraw/zinc/74/42/84/712744284.db2.gz YHAYITWQLSKASP-UHFFFAOYSA-N 0 1 209.289 2.104 20 0 BEADMN CC1(C)COC[C@H]1NCc1cnc(Cl)s1 ZINC000718207335 712754114 /nfs/dbraw/zinc/75/41/14/712754114.db2.gz DOMRCEIBJOZWOA-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN CCCC[C@@H](Nc1cc(C)[nH+]c(C)n1)C(=O)[O-] ZINC000037756726 712754940 /nfs/dbraw/zinc/75/49/40/712754940.db2.gz CSMFOFZSHVIZNT-SNVBAGLBSA-N 0 1 237.303 2.149 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000718614674 712773549 /nfs/dbraw/zinc/77/35/49/712773549.db2.gz KYPXNSMDGKRLRD-SNVBAGLBSA-N 0 1 235.274 2.361 20 0 BEADMN CC(F)(F)CCC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000718613929 712773732 /nfs/dbraw/zinc/77/37/32/712773732.db2.gz IMOGMJRGKLUYSO-SNVBAGLBSA-N 0 1 235.274 2.218 20 0 BEADMN C[C@H](NC[C@H](O)c1ccco1)c1ccccn1 ZINC000037862898 712776285 /nfs/dbraw/zinc/77/62/85/712776285.db2.gz PKKIBGAFLINSPK-JQWIXIFHSA-N 0 1 232.283 2.059 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccsc1 ZINC000038024228 712799621 /nfs/dbraw/zinc/79/96/21/712799621.db2.gz IUOSWKMJECNVLK-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN Cc1conc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000720362818 712835560 /nfs/dbraw/zinc/83/55/60/712835560.db2.gz PCYGEANIAWDYFU-RTXFEEFZSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1conc1CNC1(CCO)CCCCC1 ZINC000720362450 712835600 /nfs/dbraw/zinc/83/56/00/712835600.db2.gz JJRSDSAYINNJBZ-UHFFFAOYSA-N 0 1 238.331 2.158 20 0 BEADMN Cc1cc(CNCCCOC(C)(C)C)no1 ZINC000720364252 712835989 /nfs/dbraw/zinc/83/59/89/712835989.db2.gz YMCMUIZLBNJBCQ-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1conc1CN[C@H](CO)C1CCCCC1 ZINC000720378594 712837353 /nfs/dbraw/zinc/83/73/53/712837353.db2.gz IXENCYWRYRKFPK-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN CSCC[C@H](C)NCc1cc(C)on1 ZINC000720391594 712837799 /nfs/dbraw/zinc/83/77/99/712837799.db2.gz ROBRNHVGTNFWDD-QMMMGPOBSA-N 0 1 214.334 2.214 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)on1 ZINC000720831534 712869247 /nfs/dbraw/zinc/86/92/47/712869247.db2.gz GJOHPBOWAWWECT-GVXVVHGQSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ncc(CNC2(C)CC(F)(F)C2)o1 ZINC000720937107 712880489 /nfs/dbraw/zinc/88/04/89/712880489.db2.gz XTRLRPHVGXGBJE-UHFFFAOYSA-N 0 1 216.231 2.260 20 0 BEADMN CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC001037982532 712895909 /nfs/dbraw/zinc/89/59/09/712895909.db2.gz ZCRSJEHOARIGGI-SWLSCSKDSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@@H](SCC[C@@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000037414887 957280997 /nfs/dbraw/zinc/28/09/97/957280997.db2.gz DUMJRPOFQQZHJI-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C/C(C)=C/C(=O)[O-] ZINC000082604403 957796654 /nfs/dbraw/zinc/79/66/54/957796654.db2.gz OLEHMRHJVSAIOR-UQSGXBNBSA-N 0 1 211.305 2.282 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000083415342 957823975 /nfs/dbraw/zinc/82/39/75/957823975.db2.gz HYUSKAUFUKEKET-IVZWLZJFSA-N 0 1 201.310 2.074 20 0 BEADMN CCC(C)=Nc1ccc(OC)c(OC)n1 ZINC001210793174 957887948 /nfs/dbraw/zinc/88/79/48/957887948.db2.gz XPNSVBXNXPHNRU-VMPITWQZSA-N 0 1 208.261 2.434 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccs1 ZINC000086269875 957967175 /nfs/dbraw/zinc/96/71/75/957967175.db2.gz NJNIMDMQGRRTRT-WPRPVWTQSA-N 0 1 225.313 2.043 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCSCC1 ZINC000162068526 959203573 /nfs/dbraw/zinc/20/35/73/959203573.db2.gz MXEHUZSYCARWHP-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000588567614 959242684 /nfs/dbraw/zinc/24/26/84/959242684.db2.gz RVYJEKRENDBGQJ-UWUHSAQLSA-N 0 1 238.375 2.141 20 0 BEADMN CCN(Cc1cc[nH]c1)Cc1cccnc1 ZINC001140707631 959674949 /nfs/dbraw/zinc/67/49/49/959674949.db2.gz WDYDEGMOJJYQFX-UHFFFAOYSA-N 0 1 215.300 2.432 20 0 BEADMN c1ncc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)o1 ZINC001140928428 960701930 /nfs/dbraw/zinc/70/19/30/960701930.db2.gz MROHCOFSJQUQAR-MNOVXSKESA-N 0 1 206.289 2.297 20 0 BEADMN CC(=O)CN1CCSC[C@H]1C(C)(C)C ZINC000931592465 960880329 /nfs/dbraw/zinc/88/03/29/960880329.db2.gz LQNYKUMHVHMTHT-JTQLQIEISA-N 0 1 215.362 2.039 20 0 BEADMN CCCONC(=O)[C@H]1CSc2ccccc21 ZINC000686761679 962758282 /nfs/dbraw/zinc/75/82/82/962758282.db2.gz AWPQSSNJJQTOIO-JTQLQIEISA-N 0 1 237.324 2.334 20 0 BEADMN Cc1nc2cncc(NCC(C)C)c2[nH]1 ZINC001161650395 963031222 /nfs/dbraw/zinc/03/12/22/963031222.db2.gz DLSLFFMBOCRBIL-UHFFFAOYSA-N 0 1 204.277 2.334 20 0 BEADMN CC[N@@H+](CCCCCF)C(C)(C)C(=O)[O-] ZINC000308922172 963318262 /nfs/dbraw/zinc/31/82/62/963318262.db2.gz KSYYFILZUPDXJV-UHFFFAOYSA-N 0 1 219.300 2.311 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1nnccc1C ZINC001156509621 963377653 /nfs/dbraw/zinc/37/76/53/963377653.db2.gz PQNVINHETLJSIJ-YFHOEESVSA-N 0 1 235.287 2.052 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)cc(F)c1 ZINC001143592836 963396224 /nfs/dbraw/zinc/39/62/24/963396224.db2.gz VYEMACSZBFBAJQ-CYBMUJFWSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cnc(N(C)Cc2ccno2)cc1C ZINC001157355955 963581701 /nfs/dbraw/zinc/58/17/01/963581701.db2.gz ZVDSAKBVODANHA-UHFFFAOYSA-N 0 1 217.272 2.323 20 0 BEADMN C[C@@H]1CN(C(=O)C(C)(C)CC2CCC2)CCN1 ZINC001161017192 964478498 /nfs/dbraw/zinc/47/84/98/964478498.db2.gz JWTVAUQEBJMWKG-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN c1cc(CN2CC[C@H]3OCCC[C@@H]3C2)sn1 ZINC001232189182 965311797 /nfs/dbraw/zinc/31/17/97/965311797.db2.gz DMAMRYDBTHBCET-ZYHUDNBSSA-N 0 1 238.356 2.144 20 0 BEADMN CCC(=O)N1CCC[C@@H]1CN(C)C/C=C/Cl ZINC001485046533 966537204 /nfs/dbraw/zinc/53/72/04/966537204.db2.gz KBHCOODKDYRFMF-OKPNEXGHSA-N 0 1 244.766 2.072 20 0 BEADMN CC(C)(O)C=CNc1snc2cccnc21 ZINC001203216328 966559268 /nfs/dbraw/zinc/55/92/68/966559268.db2.gz JOOIFAVCLIHXMK-FNORWQNLSA-N 0 1 235.312 2.388 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)C[C@@H]1F ZINC001204088902 966889862 /nfs/dbraw/zinc/88/98/62/966889862.db2.gz IPFPWWGJUTWEPY-SKDRFNHKSA-N 0 1 209.264 2.182 20 0 BEADMN CCCO[C@@H]1CCN(Cc2ccoc2)C1 ZINC001204243505 966939592 /nfs/dbraw/zinc/93/95/92/966939592.db2.gz WSZMXRVLEZSBOB-GFCCVEGCSA-N 0 1 209.289 2.281 20 0 BEADMN Cc1ccc(-c2ncnc3c2CNC3)c(C)c1 ZINC000211441137 1165810066 /nfs/dbraw/zinc/81/00/66/1165810066.db2.gz LGOAWFQRVYESBH-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCN1CCN(Cc2nccs2)C(C)(C)C1 ZINC001204548770 967050015 /nfs/dbraw/zinc/05/00/15/967050015.db2.gz FNYJGBGFNVIXOS-UHFFFAOYSA-N 0 1 239.388 2.059 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1ccccc1 ZINC001249884452 967126170 /nfs/dbraw/zinc/12/61/70/967126170.db2.gz LDOOLMMRPVVLOY-UHFFFAOYSA-N 0 1 200.241 2.144 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000249928941 1165839421 /nfs/dbraw/zinc/83/94/21/1165839421.db2.gz CYAXODQYUFZOAS-IJLUTSLNSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1nc2cncc(NCC(C)(F)F)c2[nH]1 ZINC001162233097 967770222 /nfs/dbraw/zinc/77/02/22/967770222.db2.gz OXHCBPBPLXNMKX-UHFFFAOYSA-N 0 1 226.230 2.333 20 0 BEADMN O[C@@H](CNCc1cscn1)C1CCCCC1 ZINC000069170487 1165901011 /nfs/dbraw/zinc/90/10/11/1165901011.db2.gz QHHAXARBNGXWRX-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN CC(C)CCn1[nH]c2c(c1=O)CC[C@H]2C ZINC001119002222 968262714 /nfs/dbraw/zinc/26/27/14/968262714.db2.gz IDXTVPDYSSQOIM-ZJUUUORDSA-N 0 1 208.305 2.277 20 0 BEADMN Cc1ncsc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000070837772 1165952743 /nfs/dbraw/zinc/95/27/43/1165952743.db2.gz NANKKOJBXQBBKT-AOOOYVTPSA-N 0 1 236.340 2.147 20 0 BEADMN Nc1cccc(-c2cc(F)c(O)cc2F)n1 ZINC001206755522 968458984 /nfs/dbraw/zinc/45/89/84/968458984.db2.gz LLUUBDILSYNASQ-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nnc(C)[nH]2)[C@@H]1C ZINC001658341318 1165991893 /nfs/dbraw/zinc/99/18/93/1165991893.db2.gz PTOXMHXNYOBXDH-WCABBAIRSA-N 0 1 222.336 2.295 20 0 BEADMN Cc1ncc(CN2CCC[C@@]3(CCO3)C2)s1 ZINC001207061998 968589895 /nfs/dbraw/zinc/58/98/95/968589895.db2.gz TYPWZWWYFMIYOT-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN CCCC[C@@H](O)CNCc1cccnc1Cl ZINC001252113461 968597661 /nfs/dbraw/zinc/59/76/61/968597661.db2.gz ZJBMVIDIVXRRKA-LLVKDONJSA-N 0 1 242.750 2.376 20 0 BEADMN CC(C)(O)CNc1cc2n[nH]cc2c(Cl)c1 ZINC001252360959 968639076 /nfs/dbraw/zinc/63/90/76/968639076.db2.gz YHXIXZGXPOUARB-UHFFFAOYSA-N 0 1 239.706 2.399 20 0 BEADMN F[C@@H]1CN(C[C@@H]2CCCOC2)CCC1(F)F ZINC001207461596 968784059 /nfs/dbraw/zinc/78/40/59/968784059.db2.gz NDFJFENKQCUERY-VHSXEESVSA-N 0 1 237.265 2.092 20 0 BEADMN C[C@H](CN(C)C1COC1)c1ccccc1 ZINC001207909473 968921313 /nfs/dbraw/zinc/92/13/13/968921313.db2.gz AXIGFRMAWJZEHS-LLVKDONJSA-N 0 1 205.301 2.121 20 0 BEADMN CCC[C@@H](O)CNc1cc(C)nc(OCC)c1 ZINC001252774973 968944884 /nfs/dbraw/zinc/94/48/84/968944884.db2.gz CDKUTNDASHMIQR-GFCCVEGCSA-N 0 1 238.331 2.362 20 0 BEADMN CC/C=C\CCCCCN1CC(NC(C)=O)C1 ZINC001208193903 969122960 /nfs/dbraw/zinc/12/29/60/969122960.db2.gz HGTJCQRADJCLRW-PLNGDYQASA-N 0 1 238.375 2.333 20 0 BEADMN CCCCC[C@@H](O)CN[C@@H](C)c1ncc[nH]1 ZINC001253520143 969197334 /nfs/dbraw/zinc/19/73/34/969197334.db2.gz UERQIIHEAOMWSD-WDEREUQCSA-N 0 1 225.336 2.002 20 0 BEADMN CN1CCC(=Nc2cc(C(F)(F)F)no2)CC1 ZINC001208717980 969202072 /nfs/dbraw/zinc/20/20/72/969202072.db2.gz IMYSSAHLLZAOKP-UHFFFAOYSA-N 0 1 247.220 2.325 20 0 BEADMN CCCCC[C@H](O)CNc1c(C)ncn1C ZINC001253531850 969205929 /nfs/dbraw/zinc/20/59/29/969205929.db2.gz RRNCDTAKYDCSPC-NSHDSACASA-N 0 1 225.336 2.082 20 0 BEADMN C[C@@H](CN1CCc2ncncc2C1)C(F)(F)F ZINC001208892542 969279617 /nfs/dbraw/zinc/27/96/17/969279617.db2.gz DVVXAKAANKDNDS-QMMMGPOBSA-N 0 1 245.248 2.033 20 0 BEADMN CCN(CC(=O)OC)CC1(C)CCCCC1 ZINC001208906999 969294216 /nfs/dbraw/zinc/29/42/16/969294216.db2.gz AOBABMBFMDUSAG-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN COCCOc1ccccc1-c1cc(N)ccn1 ZINC000228966604 1166318116 /nfs/dbraw/zinc/31/81/16/1166318116.db2.gz QFNQDEKEVRSEMV-UHFFFAOYSA-N 0 1 244.294 2.356 20 0 BEADMN CC(C)[C@H](O)CNCc1c(F)cc(F)cc1F ZINC001253780468 969402690 /nfs/dbraw/zinc/40/26/90/969402690.db2.gz PCGXPNUASIHIQT-GFCCVEGCSA-N 0 1 247.260 2.210 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000250662328 1166420701 /nfs/dbraw/zinc/42/07/01/1166420701.db2.gz GDTZMPBWUWXIDK-YNEHKIRRSA-N 0 1 239.359 2.450 20 0 BEADMN CCCc1n[nH]cc1-c1nnc(C2CC2)o1 ZINC001254102861 969495447 /nfs/dbraw/zinc/49/54/47/969495447.db2.gz QWEQQDHKZQEHPQ-UHFFFAOYSA-N 0 1 218.260 2.290 20 0 BEADMN CCC(C)(C)C(=O)N(C)C1CN(CC(C)C)C1 ZINC001754581056 1166429739 /nfs/dbraw/zinc/42/97/39/1166429739.db2.gz WRDGEPSLHAHFLG-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@@H]1CN(C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218581 969542731 /nfs/dbraw/zinc/54/27/31/969542731.db2.gz LZVLXSKCPURFHG-VHSXEESVSA-N 0 1 237.265 2.233 20 0 BEADMN COCC[C@H](C)N[C@H](c1nc(C)no1)C(C)C ZINC000168061357 1166487140 /nfs/dbraw/zinc/48/71/40/1166487140.db2.gz OWOFMHCSYQKHJO-ONGXEEELSA-N 0 1 241.335 2.090 20 0 BEADMN COCC[C@@H](C)N[C@H](c1nc(C)no1)C(C)C ZINC000168061558 1166487280 /nfs/dbraw/zinc/48/72/80/1166487280.db2.gz OWOFMHCSYQKHJO-KOLCDFICSA-N 0 1 241.335 2.090 20 0 BEADMN CCCC=CNc1ncn(C)c2ncnc1-2 ZINC001210058653 969779298 /nfs/dbraw/zinc/77/92/98/969779298.db2.gz ZVADTIFFCKNVDC-AATRIKPKSA-N 0 1 217.276 2.041 20 0 BEADMN CO[C@@H](C)CNc1ccnc2c1ccn2C ZINC001169777883 969841605 /nfs/dbraw/zinc/84/16/05/969841605.db2.gz HMQYBVTYBZFJBK-VIFPVBQESA-N 0 1 219.288 2.020 20 0 BEADMN Cc1cc(CN[C@H](C)CC(F)(F)F)[nH]n1 ZINC000380227799 1166578802 /nfs/dbraw/zinc/57/88/02/1166578802.db2.gz KQUUZZULVDQUMN-SSDOTTSWSA-N 0 1 221.226 2.149 20 0 BEADMN c1c[nH]c(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000709045002 1166625779 /nfs/dbraw/zinc/62/57/79/1166625779.db2.gz RQIUYSKQXRQOIB-GHMZBOCLSA-N 0 1 205.305 2.174 20 0 BEADMN CCOC(=O)[C@@H]1CCC[C@@H](N2CC[C@@H](F)C2)C1 ZINC001255356217 970124634 /nfs/dbraw/zinc/12/46/34/970124634.db2.gz GLSIYKPHGMOTTO-IJLUTSLNSA-N 0 1 243.322 2.152 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(CCCCC)CC1 ZINC001112757112 970169749 /nfs/dbraw/zinc/16/97/49/970169749.db2.gz IMHMUSVNQXEJMY-WLRTZDKTSA-N 0 1 238.375 2.287 20 0 BEADMN C[C@H](O)c1ccccc1Nc1cncn1C ZINC001211252219 970198330 /nfs/dbraw/zinc/19/83/30/970198330.db2.gz GBKLJIIAWMZXEE-VIFPVBQESA-N 0 1 217.272 2.217 20 0 BEADMN Cn1cncc1Nc1cc(CO)ccc1Cl ZINC001211251470 970200193 /nfs/dbraw/zinc/20/01/93/970200193.db2.gz GOCOXPUPPKTNEZ-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN CC(C)CCC[C@H](C)N1CCn2nncc2C1 ZINC001170087544 970211818 /nfs/dbraw/zinc/21/18/18/970211818.db2.gz HZVIOOVGXIJMDJ-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN Nc1cc[nH+]cc1-c1cc(F)c([O-])cc1F ZINC001211349819 970243800 /nfs/dbraw/zinc/24/38/00/970243800.db2.gz HLUZJKQBERVSRP-UHFFFAOYSA-N 0 1 222.194 2.145 20 0 BEADMN COc1ncc(CNC/C=C/C2CC2)s1 ZINC000379303148 1166706643 /nfs/dbraw/zinc/70/66/43/1166706643.db2.gz QOWYLACDBCMQHT-NSCUHMNNSA-N 0 1 224.329 2.208 20 0 BEADMN C[C@@H](CC(F)(F)F)N(C)[C@@H]1CCOC1 ZINC001255657409 970439772 /nfs/dbraw/zinc/43/97/72/970439772.db2.gz GWFUSXXPCNNQQJ-JGVFFNPUSA-N 0 1 211.227 2.048 20 0 BEADMN CCc1cccc(C)c1NCc1nnc[nH]1 ZINC000238297491 1166844148 /nfs/dbraw/zinc/84/41/48/1166844148.db2.gz ITIDNXHPKRVGJO-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CC(C)CC[C@H](C)Nc1ccnc(N)n1 ZINC000087830493 1166863787 /nfs/dbraw/zinc/86/37/87/1166863787.db2.gz HWXNNOKJGCWHNY-VIFPVBQESA-N 0 1 208.309 2.295 20 0 BEADMN CC[C@@H]1CC[C@H](N2CC(=O)N(CC)C[C@H]2C)C1 ZINC001173293015 975168755 /nfs/dbraw/zinc/16/87/55/975168755.db2.gz JGJGZXBIRVUZKV-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CC(=O)N(CC)C[C@H]2C)C1 ZINC001173293013 975170451 /nfs/dbraw/zinc/17/04/51/975170451.db2.gz JGJGZXBIRVUZKV-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN CCSC[C@H](C)N(C)Cc1cnc(C)nc1 ZINC001173310703 975219737 /nfs/dbraw/zinc/21/97/37/975219737.db2.gz HGTQIYIKPKGQKW-JTQLQIEISA-N 0 1 239.388 2.358 20 0 BEADMN CCSC[C@@H](C)NCc1ncccc1F ZINC001173288389 975252887 /nfs/dbraw/zinc/25/28/87/975252887.db2.gz UVFMUBHPSHZNRB-SECBINFHSA-N 0 1 228.336 2.452 20 0 BEADMN CC(C)(O)C=CNc1nccnc1C(F)(F)F ZINC001203216982 1167075261 /nfs/dbraw/zinc/07/52/61/1167075261.db2.gz YMBYZFVIPYRFFC-ONEGZZNKSA-N 0 1 247.220 2.192 20 0 BEADMN CCSC[C@H](C)N(C)[C@H](C(=O)OC)C(C)C ZINC001173314720 975300041 /nfs/dbraw/zinc/30/00/41/975300041.db2.gz JXZYDGNRLQQWAJ-QWRGUYRKSA-N 0 1 247.404 2.257 20 0 BEADMN N=C(N)N(c1ccc(F)cc1)c1ccc(F)cn1 ZINC001167992145 1167116612 /nfs/dbraw/zinc/11/66/12/1167116612.db2.gz MJASIWFBMFMXJQ-UHFFFAOYSA-N 0 1 248.236 2.391 20 0 BEADMN CC[C@@H](C)Nc1cnc(N2CCOCC2)cc1C ZINC001168000442 1167134587 /nfs/dbraw/zinc/13/45/87/1167134587.db2.gz PKFIRQNFZCIHNU-GFCCVEGCSA-N 0 1 249.358 2.437 20 0 BEADMN CC(=O)[C@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227268405 975345495 /nfs/dbraw/zinc/34/54/95/975345495.db2.gz OUAOCYDZAKUIKG-VIFPVBQESA-N 0 1 218.256 2.228 20 0 BEADMN COc1ccccc1CN1CC([C@H](C)OC)C1 ZINC001203438391 1167154870 /nfs/dbraw/zinc/15/48/70/1167154870.db2.gz CTYRYVOYRNJKJB-NSHDSACASA-N 0 1 235.327 2.162 20 0 BEADMN CO[C@@H](C)CCOc1ccc2nc[nH]c2c1 ZINC001226929152 1167196293 /nfs/dbraw/zinc/19/62/93/1167196293.db2.gz ZPPUHELELAINAO-VIFPVBQESA-N 0 1 220.272 2.367 20 0 BEADMN Cc1nnc(=S)[nH]c1OC1CCC(C)CC1 ZINC001227597762 975572266 /nfs/dbraw/zinc/57/22/66/975572266.db2.gz CTMDBHZNKLVKIF-UHFFFAOYSA-N 0 1 239.344 2.426 20 0 BEADMN COc1nc(O[C@@H](C)CC(C)C)cc(=O)[nH]1 ZINC001227000866 1167237210 /nfs/dbraw/zinc/23/72/10/1167237210.db2.gz UESNGAQVWSAIHJ-QMMMGPOBSA-N 0 1 226.276 2.004 20 0 BEADMN COc1nc(O[C@H](C)CC(C)C)cc(=O)[nH]1 ZINC001227000864 1167236710 /nfs/dbraw/zinc/23/67/10/1167236710.db2.gz UESNGAQVWSAIHJ-MRVPVSSYSA-N 0 1 226.276 2.004 20 0 BEADMN Fc1cnc(Cl)c(Nc2ccncc2)c1 ZINC001173881230 975915339 /nfs/dbraw/zinc/91/53/39/975915339.db2.gz HVTLGQALFVFBLI-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN Cc1cc(Nc2ccncc2)cnc1F ZINC001173881594 975924768 /nfs/dbraw/zinc/92/47/68/975924768.db2.gz AIJMXZZIIMJFDR-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN COC(=O)c1sccc1Nc1ccncc1 ZINC001173879400 975916840 /nfs/dbraw/zinc/91/68/40/975916840.db2.gz NAUWJTDOPQWXKR-UHFFFAOYSA-N 0 1 234.280 2.095 20 0 BEADMN CC1(C)CCC(Oc2nc(O)cc(=O)[nH]2)CC1 ZINC001228389154 976184577 /nfs/dbraw/zinc/18/45/77/976184577.db2.gz SQZWGSYJQKKAIU-UHFFFAOYSA-N 0 1 238.287 2.235 20 0 BEADMN C[C@@H](Oc1nc(=O)[nH]cc1Cl)C(F)(F)F ZINC001228480739 976241874 /nfs/dbraw/zinc/24/18/74/976241874.db2.gz OFDCZTRYYWWUEH-GSVOUGTGSA-N 0 1 242.584 2.165 20 0 BEADMN CCC[C@@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480035 976242939 /nfs/dbraw/zinc/24/29/39/976242939.db2.gz HCBQTZLMTOXXTN-ZCFIWIBFSA-N 0 1 216.668 2.403 20 0 BEADMN C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCCN2)[C@H](C)C1 ZINC000309457607 1167309591 /nfs/dbraw/zinc/30/95/91/1167309591.db2.gz NYVVJRWMZJUESL-WYUUTHIRSA-N 0 1 225.332 2.106 20 0 BEADMN CN1CC[C@@H](Oc2ccnc(Cl)c2Cl)C1 ZINC001228574544 976334353 /nfs/dbraw/zinc/33/43/53/976334353.db2.gz JPIIDUOKJQYGSY-SSDOTTSWSA-N 0 1 247.125 2.471 20 0 BEADMN Cc1ccc(O[C@@H]2CCN(C)C2)c(Cl)n1 ZINC001229427128 976864874 /nfs/dbraw/zinc/86/48/74/976864874.db2.gz IREFCXOJJNEBJD-SECBINFHSA-N 0 1 226.707 2.126 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)C1(C2CC2)CC1 ZINC000897382733 1167401391 /nfs/dbraw/zinc/40/13/91/1167401391.db2.gz MNXFRBIGJIXQGT-UHFFFAOYSA-N 0 1 246.314 2.201 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)C1(C2CC2)CC1 ZINC000897382733 1167401395 /nfs/dbraw/zinc/40/13/95/1167401395.db2.gz MNXFRBIGJIXQGT-UHFFFAOYSA-N 0 1 246.314 2.201 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)cc1C ZINC001174827704 977088614 /nfs/dbraw/zinc/08/86/14/977088614.db2.gz HTONYKSEFAUTKL-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CC1(C)CC[C@@H](CSCc2nnc[nH]2)OC1 ZINC001335480213 977085993 /nfs/dbraw/zinc/08/59/93/977085993.db2.gz ASXNFMVDRKXSAR-VIFPVBQESA-N 0 1 241.360 2.243 20 0 BEADMN C[C@H](Cc1ccc(Cl)cc1)N1CC(C)(O)C1 ZINC001168169099 1167417884 /nfs/dbraw/zinc/41/78/84/1167417884.db2.gz DDJBOYZTPLTSNV-SNVBAGLBSA-N 0 1 239.746 2.338 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@H](C)C2)o1 ZINC000228318053 1167446517 /nfs/dbraw/zinc/44/65/17/1167446517.db2.gz VRLVCTRDQQFJCP-WCBMZHEXSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@@H](C)C2)o1 ZINC000228318037 1167446730 /nfs/dbraw/zinc/44/67/30/1167446730.db2.gz VRLVCTRDQQFJCP-PSASIEDQSA-N 0 1 209.293 2.046 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000152192514 1167500618 /nfs/dbraw/zinc/50/06/18/1167500618.db2.gz SNNWQVDMXIRZPW-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN CCCN(CCCCCF)CC(=O)OCC ZINC000380883818 1167513227 /nfs/dbraw/zinc/51/32/27/1167513227.db2.gz GMVKRRHRRWYHAG-UHFFFAOYSA-N 0 1 233.327 2.401 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1[C@H]1C=CCCC1 ZINC001594219449 977560698 /nfs/dbraw/zinc/56/06/98/977560698.db2.gz VLGGRKYZDXNIKG-OUAUKWLOSA-N 0 1 209.289 2.033 20 0 BEADMN CCc1ncsc1NC1=CCCN(C)C1 ZINC001175575861 977576486 /nfs/dbraw/zinc/57/64/86/977576486.db2.gz BBXSAQIVSCZEMT-UHFFFAOYSA-N 0 1 223.345 2.337 20 0 BEADMN CC(C)Oc1ccc(CN2CC[C@H]2C)cn1 ZINC001231532582 977631841 /nfs/dbraw/zinc/63/18/41/977631841.db2.gz WWNHMOTWOVVJGW-LLVKDONJSA-N 0 1 220.316 2.463 20 0 BEADMN Cc1ncsc1CNCc1cncc(C)c1 ZINC000381357248 1167545039 /nfs/dbraw/zinc/54/50/39/1167545039.db2.gz DMSOHNLDBBFRFN-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CSc1ccc(NCc2cc(C)[nH]n2)cn1 ZINC000381383629 1167548385 /nfs/dbraw/zinc/54/83/85/1167548385.db2.gz LYSLGWSKDKIGCA-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN COc1ncc(F)cc1CN(C)C1CC(C)C1 ZINC001231740888 977728729 /nfs/dbraw/zinc/72/87/29/977728729.db2.gz PJZGSVMIXSRDSL-UHFFFAOYSA-N 0 1 238.306 2.460 20 0 BEADMN CCN(Cc1cc(F)cnc1OC)C(C)C ZINC001231741375 977729979 /nfs/dbraw/zinc/72/99/79/977729979.db2.gz UPEXKDPDRLBTKD-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN Cc1cc(C)nc(N2C[C@H](O)CC[C@H]2C)c1 ZINC000721776829 977896879 /nfs/dbraw/zinc/89/68/79/977896879.db2.gz PIIPWJCBVUMPPN-VXGBXAGGSA-N 0 1 220.316 2.048 20 0 BEADMN CSc1ccc(CN2CCCC2)cn1 ZINC001232324653 978006665 /nfs/dbraw/zinc/00/66/65/978006665.db2.gz MNHXZUSZTUCTAN-UHFFFAOYSA-N 0 1 208.330 2.399 20 0 BEADMN Cc1ncn(C)c1Nc1cnc(F)c(C)c1 ZINC001212181309 1167660283 /nfs/dbraw/zinc/66/02/83/1167660283.db2.gz YQCIDAFBULMBRY-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN Cc1c(F)cc(CN2CC[C@@H](CO)C2)cc1F ZINC001232423596 978059218 /nfs/dbraw/zinc/05/92/18/978059218.db2.gz TUGRWSCZTSEGMV-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN Cc1c(F)cc(CN2C[C@@H](O)C[C@H]2C)cc1F ZINC001232420811 978054152 /nfs/dbraw/zinc/05/41/52/978054152.db2.gz ULLQUQSIVGQLNA-KCJUWKMLSA-N 0 1 241.281 2.228 20 0 BEADMN Nc1ccc2cnn(-c3ccncc3)c2c1 ZINC000040516694 1167665441 /nfs/dbraw/zinc/66/54/41/1167665441.db2.gz OCJPJWNKUVYJCO-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Cc1ncc(CN2CC[C@H](C)C(F)(F)C2)[nH]1 ZINC001232460457 978103594 /nfs/dbraw/zinc/10/35/94/978103594.db2.gz QWSCURQQCCETGA-QMMMGPOBSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1nnc(SCc2ccn(C(C)C)n2)[nH]1 ZINC000172219196 1167693418 /nfs/dbraw/zinc/69/34/18/1167693418.db2.gz AAFAHWHEUMMZSW-UHFFFAOYSA-N 0 1 237.332 2.183 20 0 BEADMN Cc1n[nH]c(SCc2ccn(C(C)C)n2)n1 ZINC000172219196 1167693423 /nfs/dbraw/zinc/69/34/23/1167693423.db2.gz AAFAHWHEUMMZSW-UHFFFAOYSA-N 0 1 237.332 2.183 20 0 BEADMN CC1CCC(CNC(=O)c2[nH]ncc2F)CC1 ZINC001597572679 978342913 /nfs/dbraw/zinc/34/29/13/978342913.db2.gz HAPBHKSWZKUFSK-UHFFFAOYSA-N 0 1 239.294 2.105 20 0 BEADMN C[C@@H](c1ncccn1)N(C)CCC1CCOCC1 ZINC000929826462 1167763046 /nfs/dbraw/zinc/76/30/46/1167763046.db2.gz MLHODFKYLMMBTF-LBPRGKRZSA-N 0 1 249.358 2.286 20 0 BEADMN C[C@H](Cc1cccc(F)c1)N(C)C1(C)COC1 ZINC001168497349 1167790964 /nfs/dbraw/zinc/79/09/64/1167790964.db2.gz NRKAIQJPNURAKO-LLVKDONJSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233258391 978515232 /nfs/dbraw/zinc/51/52/32/978515232.db2.gz CVLPZDSEIVGTHE-PWSUYJOCSA-N 0 1 237.368 2.178 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCOC3(CC3)C2)cc1 ZINC001233262612 978520382 /nfs/dbraw/zinc/52/03/82/978520382.db2.gz NWDCYXNSRMZWAQ-UHFFFAOYSA-N 0 1 235.352 2.340 20 0 BEADMN C[N@H+](Cc1ccc([S-])cc1)CC1COC1 ZINC001233261924 978522089 /nfs/dbraw/zinc/52/20/89/978522089.db2.gz JTCLKELALOIDGU-UHFFFAOYSA-N 0 1 223.341 2.054 20 0 BEADMN Clc1ccc(CN2CC(N3CCCC3)C2)o1 ZINC001233316264 978543609 /nfs/dbraw/zinc/54/36/09/978543609.db2.gz WKWHWBIXCNKESA-UHFFFAOYSA-N 0 1 240.734 2.213 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1ccc(C(=O)[O-])s1 ZINC000002458607 978560072 /nfs/dbraw/zinc/56/00/72/978560072.db2.gz UTYDTVSXPYVVJE-UHFFFAOYSA-N 0 1 234.280 2.399 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001602015501 978883979 /nfs/dbraw/zinc/88/39/79/978883979.db2.gz ZGCLRUQHKWFQOU-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN CCCC1CCN(CC(=O)NC(C)C)CC1 ZINC001339865707 978930231 /nfs/dbraw/zinc/93/02/31/978930231.db2.gz IDTCVPPSPRUXLW-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN COc1c(C)ccc(F)c1O[C@@H]1CCN(C)C1 ZINC001234939267 978933694 /nfs/dbraw/zinc/93/36/94/978933694.db2.gz OBEPPVPKUJGURT-SNVBAGLBSA-N 0 1 239.290 2.226 20 0 BEADMN CCc1cccc(CN2CCCO[C@H](C)C2)n1 ZINC001235250563 979008239 /nfs/dbraw/zinc/00/82/39/979008239.db2.gz LHXUUXOYDOPOJE-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN CCCCC(=O)N1CCC([N@@H+](C)CCF)CC1 ZINC001485753922 1168245888 /nfs/dbraw/zinc/24/58/88/1168245888.db2.gz QOZNZEREJUORIS-UHFFFAOYSA-N 0 1 244.354 2.069 20 0 BEADMN CC(C)Oc1c(F)cccc1CN(C)CCO ZINC001236259255 979482737 /nfs/dbraw/zinc/48/27/37/979482737.db2.gz SGSRPCBMCOHJIM-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001604254934 979606009 /nfs/dbraw/zinc/60/60/09/979606009.db2.gz UAPWXFLZQQQDLO-CIUDSAMLSA-N 0 1 249.301 2.319 20 0 BEADMN CCc1cc(=O)n(-c2ccc(F)cc2F)[nH]1 ZINC000116602817 1168305476 /nfs/dbraw/zinc/30/54/76/1168305476.db2.gz DBORRLGKQJTNBI-UHFFFAOYSA-N 0 1 224.210 2.419 20 0 BEADMN COCC[N@@H+](Cc1oc(C)nc1C)C(C)C ZINC001236590630 979673859 /nfs/dbraw/zinc/67/38/59/979673859.db2.gz CQCYREDSNGZUPL-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN COCCN(Cc1oc(C)nc1C)C(C)C ZINC001236590630 979673863 /nfs/dbraw/zinc/67/38/63/979673863.db2.gz CQCYREDSNGZUPL-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1C[Si](C)(C)C ZINC001604654459 979692493 /nfs/dbraw/zinc/69/24/93/979692493.db2.gz YIGUDWHCEAYMBZ-JGPRNRPPSA-N 0 1 243.423 2.437 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC001604925410 979771485 /nfs/dbraw/zinc/77/14/85/979771485.db2.gz UHYRWOXTFPVALZ-DJLDLDEBSA-N 0 1 235.274 2.073 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC001604924145 979774007 /nfs/dbraw/zinc/77/40/07/979774007.db2.gz MKAZWGPWXRQWIM-WCBMZHEXSA-N 0 1 231.723 2.314 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001342458767 979805800 /nfs/dbraw/zinc/80/58/00/979805800.db2.gz OIVFISXRQNIUPI-XCBNKYQSSA-N 0 1 223.247 2.060 20 0 BEADMN CN(C)Cc1cnc(-c2ccccc2)o1 ZINC001237374153 979874000 /nfs/dbraw/zinc/87/40/00/979874000.db2.gz GKEMKPCUVFYNPR-UHFFFAOYSA-N 0 1 202.257 2.403 20 0 BEADMN Cc1coc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC001237633440 979984543 /nfs/dbraw/zinc/98/45/43/979984543.db2.gz ACNPWVCMQPUSEN-QWRGUYRKSA-N 0 1 206.289 2.215 20 0 BEADMN CCc1ncc(CN2CC[C@@H](O)C[C@@H]2C)s1 ZINC001237826336 980069742 /nfs/dbraw/zinc/06/97/42/980069742.db2.gz IXBLWSZORUAFRA-VHSXEESVSA-N 0 1 240.372 2.051 20 0 BEADMN CC[C@H]([NH2+]Cc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC001184453596 980085120 /nfs/dbraw/zinc/08/51/20/980085120.db2.gz XUVNQGOLFXIJOB-ZETCQYMHSA-N 0 1 248.252 2.102 20 0 BEADMN COC[C@@H]1CCCCN1Cc1occc1OC ZINC001237870595 980104500 /nfs/dbraw/zinc/10/45/00/980104500.db2.gz YBOARYCDDULNBQ-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN Cc1ccc(O)cc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001238091801 980142081 /nfs/dbraw/zinc/14/20/81/980142081.db2.gz CFKLLLPJIQSILI-MFKMUULPSA-N 0 1 223.291 2.490 20 0 BEADMN CC[C@H]1CCCN1Cc1c(N)ccnc1F ZINC001238152520 980178058 /nfs/dbraw/zinc/17/80/58/980178058.db2.gz AIBHQUJTYBYWNK-VIFPVBQESA-N 0 1 223.295 2.177 20 0 BEADMN CC[C@H](C)CCC(=O)Nc1cccnc1CN ZINC001185581105 980258091 /nfs/dbraw/zinc/25/80/91/980258091.db2.gz BPWZZIYRNXDWPZ-JTQLQIEISA-N 0 1 235.331 2.305 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CCC(F)(F)C1 ZINC001344882895 980494263 /nfs/dbraw/zinc/49/42/63/980494263.db2.gz TXGDKQIJSKEYLI-QMMMGPOBSA-N 0 1 244.241 2.310 20 0 BEADMN CCCCCCOC(=O)N1CCNC(C)(C)C1 ZINC001239333946 980540972 /nfs/dbraw/zinc/54/09/72/980540972.db2.gz KOVKOKRJTKPUBY-UHFFFAOYSA-N 0 1 242.363 2.387 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)OCC(C)(C)C ZINC001239336859 980542823 /nfs/dbraw/zinc/54/28/23/980542823.db2.gz UOEQCTXUDCQXPA-LLVKDONJSA-N 0 1 242.363 2.243 20 0 BEADMN [O-]c1cccnc1CNc1ccc2c(c1)C[NH2+]C2 ZINC001169731667 1168500932 /nfs/dbraw/zinc/50/09/32/1168500932.db2.gz DNWZNTANJOLTOF-UHFFFAOYSA-N 0 1 241.294 2.003 20 0 BEADMN O=C(C[C@@H]1CCCC1(F)F)OCCN1CCC1 ZINC001345757711 980679696 /nfs/dbraw/zinc/67/96/96/980679696.db2.gz JRPQTJRKEYFGFX-JTQLQIEISA-N 0 1 247.285 2.061 20 0 BEADMN CCC[C@H](OC)c1noc(CNCC(C)C)n1 ZINC000227316165 1168554795 /nfs/dbraw/zinc/55/47/95/1168554795.db2.gz HHXSEBKVIWESLR-JTQLQIEISA-N 0 1 241.335 2.303 20 0 BEADMN CCN(Cc1cnn(C)c1Cl)CC1CC1 ZINC000816509844 1168605178 /nfs/dbraw/zinc/60/51/78/1168605178.db2.gz DMEOOTDJKRBQRE-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN N=C(Nc1ccncc1)c1ccc2ccccc2n1 ZINC001171040716 1168632520 /nfs/dbraw/zinc/63/25/20/1168632520.db2.gz YXGGVQJJYZETHV-UHFFFAOYSA-N 0 1 248.289 2.489 20 0 BEADMN CCCC(N)=[NH+]OCc1cc(C(=O)[O-])c(C)o1 ZINC001595594505 981562158 /nfs/dbraw/zinc/56/21/58/981562158.db2.gz USGRWMAZUVMMNA-UHFFFAOYSA-N 0 1 240.259 2.085 20 0 BEADMN OCc1cc(NC2=CCCCC2)ccn1 ZINC001175751577 1168697019 /nfs/dbraw/zinc/69/70/19/1168697019.db2.gz CDWXBOYMALIGMM-UHFFFAOYSA-N 0 1 204.273 2.444 20 0 BEADMN c1c[nH]c(Nc2cnn(Cc3ccccc3)c2)n1 ZINC001176079826 1168702292 /nfs/dbraw/zinc/70/22/92/1168702292.db2.gz NIAFQCKGWVABOP-UHFFFAOYSA-N 0 1 239.282 2.398 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001594805333 981907847 /nfs/dbraw/zinc/90/78/47/981907847.db2.gz ZEDVSWSWXSXMGQ-HTQZYQBOSA-N 0 1 235.274 2.073 20 0 BEADMN CCN(CC(=O)OC)[C@H]1CCC(C)(C)C1 ZINC000344478488 1168729014 /nfs/dbraw/zinc/72/90/14/1168729014.db2.gz DCYHZTGSXJUBBU-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C/C(Cl)=C/C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001350579899 982005456 /nfs/dbraw/zinc/00/54/56/982005456.db2.gz SOQWNWWNCBNDMH-XQRVVYSFSA-N 0 1 228.683 2.009 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccncn3)cc21 ZINC001250493271 1168793578 /nfs/dbraw/zinc/79/35/78/1168793578.db2.gz OZVOGOFYIQJKOG-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC001589445110 982793791 /nfs/dbraw/zinc/79/37/91/982793791.db2.gz KMNCMFXTQLVIBW-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@H](O)CNc1ccc2[nH]nc(C)c2c1 ZINC001252791823 1168913395 /nfs/dbraw/zinc/91/33/95/1168913395.db2.gz YNUZAWWBRUOKFS-NSHDSACASA-N 0 1 233.315 2.444 20 0 BEADMN OCC[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000379916321 1168916865 /nfs/dbraw/zinc/91/68/65/1168916865.db2.gz CJSKYFQWTKARJG-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001472028499 983013466 /nfs/dbraw/zinc/01/34/66/983013466.db2.gz FJYUWGLCHDSHJI-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000117300919 1168945514 /nfs/dbraw/zinc/94/55/14/1168945514.db2.gz KAHKDWKJSCVIQF-UHFFFAOYSA-N 0 1 202.257 2.254 20 0 BEADMN FC1(F)COC2(CN(C[C@H]3CC=CCC3)C2)C1 ZINC001201422026 983222339 /nfs/dbraw/zinc/22/23/39/983222339.db2.gz FWBPKKHRLRQINN-NSHDSACASA-N 0 1 243.297 2.453 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCO[C@@H](CO)C1 ZINC001201485470 983253771 /nfs/dbraw/zinc/25/37/71/983253771.db2.gz HLOGIBSDXATCPU-UONOGXRCSA-N 0 1 241.375 2.062 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccccc1CF ZINC001593747668 983356851 /nfs/dbraw/zinc/35/68/51/983356851.db2.gz KVRMTOVERNYWDI-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN CC1CCC(C)(C(=O)NC[C@@H]2CCN2C)CC1 ZINC001355058147 983404947 /nfs/dbraw/zinc/40/49/47/983404947.db2.gz OPPMHDHGOPTDKM-LXVYMNJGSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCN1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001201715573 983421831 /nfs/dbraw/zinc/42/18/31/983421831.db2.gz ZGRZGAIDRZDJMT-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCCN1CCC(=O)[C@@H](F)CC1 ZINC001201725207 983434507 /nfs/dbraw/zinc/43/45/07/983434507.db2.gz LFFFLPRKDQSJCZ-JTQLQIEISA-N 0 1 201.285 2.180 20 0 BEADMN CCC[C@@H](CC)[NH2+]CCCC[P@](=O)([O-])O ZINC001257246918 1169072342 /nfs/dbraw/zinc/07/23/42/1169072342.db2.gz GTEQCMNCDJEWKT-SNVBAGLBSA-N 0 1 237.280 2.113 20 0 BEADMN Cc1nonc1CN(C)[C@H](C)C(C)(C)C ZINC000685976748 1169093641 /nfs/dbraw/zinc/09/36/41/1169093641.db2.gz CNGKQKOROGQFBT-SECBINFHSA-N 0 1 211.309 2.244 20 0 BEADMN Cc1csc(CN(C)Cc2cnn(C)c2)c1 ZINC001137152696 983980380 /nfs/dbraw/zinc/98/03/80/983980380.db2.gz YVGPHFSFYOVAJW-UHFFFAOYSA-N 0 1 235.356 2.422 20 0 BEADMN Cc1csc(CN2CCC3(C2)OCCO3)c1 ZINC001137157463 983996824 /nfs/dbraw/zinc/99/68/24/983996824.db2.gz ZLEMUDKCZRKWPU-UHFFFAOYSA-N 0 1 239.340 2.005 20 0 BEADMN CC[C@@H]1C[C@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC000351080348 1169206050 /nfs/dbraw/zinc/20/60/50/1169206050.db2.gz HZONTPNOQAVKIL-YUSALJHKSA-N 0 1 247.342 2.392 20 0 BEADMN CC(C)(C)[C@@H](O)CNc1ccc2c[nH]nc2c1 ZINC001253715154 1169218761 /nfs/dbraw/zinc/21/87/61/1169218761.db2.gz VIWAVHBVFSTVLN-LBPRGKRZSA-N 0 1 233.315 2.382 20 0 BEADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)[O-] ZINC000082657930 949022829 /nfs/dbraw/zinc/02/28/29/949022829.db2.gz JEGNUPBXAXMUNP-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000300970664 950558753 /nfs/dbraw/zinc/55/87/53/950558753.db2.gz QQKRECLOCQLCNP-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CC[C@@H]1CN(Cc2n[nH]c(C)c2C)[C@@H](C)CO1 ZINC001331548633 974757897 /nfs/dbraw/zinc/75/78/97/974757897.db2.gz MJUBDVGPNQHSSS-JOYOIKCWSA-N 0 1 237.347 2.026 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)C[C@@H]1C ZINC001172443603 974803961 /nfs/dbraw/zinc/80/39/61/974803961.db2.gz OHDGZBIAYBUEFL-NEPJUHHUSA-N 0 1 227.348 2.243 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226159427 974814534 /nfs/dbraw/zinc/81/45/34/974814534.db2.gz MAKLQPADSQJHEK-IONNQARKSA-N 0 1 210.277 2.304 20 0 BEADMN Cc1[nH]nc(CNc2nc(C)ncc2C)c1C ZINC001120871237 1169322536 /nfs/dbraw/zinc/32/25/36/1169322536.db2.gz NHTAYKRCDDVOEP-UHFFFAOYSA-N 0 1 231.303 2.045 20 0 BEADMN CC(C)OCC[C@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172459375 974824196 /nfs/dbraw/zinc/82/41/96/974824196.db2.gz ILNLTGMIDVTIKN-YNEHKIRRSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1cnc(CN)n1[C@H](C)CCOCC(C)C ZINC001172460382 974825899 /nfs/dbraw/zinc/82/58/99/974825899.db2.gz RGNGWUFGALUBDQ-LLVKDONJSA-N 0 1 239.363 2.274 20 0 BEADMN CCCCC[C@H](C)CC(=O)OCc1nnc[nH]1 ZINC001327453244 972580932 /nfs/dbraw/zinc/58/09/32/972580932.db2.gz MGWDLSFNBKRVHF-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3nccnc23)C1 ZINC001138299284 1169352113 /nfs/dbraw/zinc/35/21/13/1169352113.db2.gz VSTHMGLIQUTXAV-LLVKDONJSA-N 0 1 231.274 2.174 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])CC1CC(F)(F)C1 ZINC001138394182 1169355631 /nfs/dbraw/zinc/35/56/31/1169355631.db2.gz ISTNSARNKPUCOH-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])CC1CC(F)(F)C1 ZINC001138394182 1169355637 /nfs/dbraw/zinc/35/56/37/1169355637.db2.gz ISTNSARNKPUCOH-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN [O-]c1cnccc1C[N@@H+]1CCC12CCCC2 ZINC001140272917 1169370046 /nfs/dbraw/zinc/37/00/46/1169370046.db2.gz CTSIHGSIPLFJKA-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CCC12CCCC2 ZINC001140272917 1169370054 /nfs/dbraw/zinc/37/00/54/1169370054.db2.gz CTSIHGSIPLFJKA-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1ccncc1 ZINC001223001224 972792062 /nfs/dbraw/zinc/79/20/62/972792062.db2.gz VWCYKFXSHRILPJ-SECBINFHSA-N 0 1 203.245 2.083 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1ccccn1 ZINC001223000508 972795002 /nfs/dbraw/zinc/79/50/02/972795002.db2.gz OPPOQMOAGHGRQQ-VIFPVBQESA-N 0 1 203.245 2.083 20 0 BEADMN CCn1ncc(CN[C@@H]2CCC23CCCC3)n1 ZINC000839063933 1169390983 /nfs/dbraw/zinc/39/09/83/1169390983.db2.gz UWTJBCGOYRZXBH-GFCCVEGCSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144664517 972925307 /nfs/dbraw/zinc/92/53/07/972925307.db2.gz IKEOLFHAFJLECK-MRVPVSSYSA-N 0 1 225.313 2.288 20 0 BEADMN Fc1cc(CNC2CC(F)(F)C2)ccn1 ZINC001328772031 973342251 /nfs/dbraw/zinc/34/22/51/973342251.db2.gz QQCNAWQUOGWTQG-UHFFFAOYSA-N 0 1 216.206 2.108 20 0 BEADMN CC(C)CC[C@@H](C)N1CC(=O)N2CCC[C@H]2C1 ZINC001256370822 970783310 /nfs/dbraw/zinc/78/33/10/970783310.db2.gz KSHQPJCWBAIWNZ-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN Cn1cnc(Nc2cc3n[nH]cc3c(F)c2)c1 ZINC001215552219 970787015 /nfs/dbraw/zinc/78/70/15/970787015.db2.gz JZMOWDMWWVCPDB-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN COc1cc(Nc2cc3n[nH]cc3c(F)c2)no1 ZINC001215553265 970788865 /nfs/dbraw/zinc/78/88/65/970788865.db2.gz SRLVMEWMWZDCGC-UHFFFAOYSA-N 0 1 248.217 2.442 20 0 BEADMN CCOc1ccc(Nc2cncn2C)c(C)n1 ZINC001215578663 970791222 /nfs/dbraw/zinc/79/12/22/970791222.db2.gz QEGVMONKEONQAO-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)nc1 ZINC000204912524 970805252 /nfs/dbraw/zinc/80/52/52/970805252.db2.gz GPWFSPIUPYYZER-LBPRGKRZSA-N 0 1 247.342 2.201 20 0 BEADMN COc1cncc(Nc2ccnc(CO)c2)c1C ZINC001215732000 970819453 /nfs/dbraw/zinc/81/94/53/970819453.db2.gz DOIFHJVZBNRUMX-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H](F)C[C@H]1C ZINC001256411436 970820427 /nfs/dbraw/zinc/82/04/27/970820427.db2.gz RDYUAMRDOFKDLD-UTUOFQBUSA-N 0 1 222.307 2.445 20 0 BEADMN CC(C)[C@H]1COCCN1[C@@H](C)Cc1ccccn1 ZINC001256423170 970830159 /nfs/dbraw/zinc/83/01/59/970830159.db2.gz ZQTYICRVHQZHNX-DZGCQCFKSA-N 0 1 248.370 2.369 20 0 BEADMN CC(C)Cc1nnc([C@@H]2CCc3[nH]cnc3C2)o1 ZINC001256431676 970833444 /nfs/dbraw/zinc/83/34/44/970833444.db2.gz AOVBLKDEXIDAQV-SECBINFHSA-N 0 1 246.314 2.264 20 0 BEADMN CC(C)[C@H]1CN([C@@H](C)Cc2ccccn2)CCO1 ZINC001256425693 970834554 /nfs/dbraw/zinc/83/45/54/970834554.db2.gz IMTZJDGXVMDDAU-DZGCQCFKSA-N 0 1 248.370 2.369 20 0 BEADMN CCOC1CN(C2CCC(OCC)CC2)C1 ZINC001256437012 970841666 /nfs/dbraw/zinc/84/16/66/970841666.db2.gz SNLFBJHOULCCBO-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)Cc1nnc(C23CCN(CC2)CC3)o1 ZINC001256450500 970848692 /nfs/dbraw/zinc/84/86/92/970848692.db2.gz QHWSXRSOMZRJLF-UHFFFAOYSA-N 0 1 235.331 2.005 20 0 BEADMN CC(C)Cc1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001256490087 970852869 /nfs/dbraw/zinc/85/28/69/970852869.db2.gz DQYSVAINMOGKPV-UHFFFAOYSA-N 0 1 226.667 2.312 20 0 BEADMN CSc1cc(F)c(-n2cncc2N)c(F)c1 ZINC001215841742 970858389 /nfs/dbraw/zinc/85/83/89/970858389.db2.gz YKMLZPWWAHAOOD-UHFFFAOYSA-N 0 1 241.266 2.455 20 0 BEADMN CSc1ncc(Cl)cc1-n1cncc1N ZINC001215915375 970872412 /nfs/dbraw/zinc/87/24/12/970872412.db2.gz XIXFEGBCOJAZCJ-UHFFFAOYSA-N 0 1 240.719 2.225 20 0 BEADMN O=C([O-])CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403258166 970896445 /nfs/dbraw/zinc/89/64/45/970896445.db2.gz WTJDYZJVQMBZOI-UTUOFQBUSA-N 0 1 237.343 2.362 20 0 BEADMN CCC1(C)C[NH+](Cc2cc(C(=O)[O-])co2)C1 ZINC000322610758 970909490 /nfs/dbraw/zinc/90/94/90/970909490.db2.gz ZIDIDNOVBRMCNG-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001256735490 970963617 /nfs/dbraw/zinc/96/36/17/970963617.db2.gz BMSAZRQTZOGUPU-SAXRGWBVSA-N 0 1 234.318 2.302 20 0 BEADMN CN(C)c1cc(F)cc(Nc2ccncc2)c1 ZINC001216157447 970960881 /nfs/dbraw/zinc/96/08/81/970960881.db2.gz NFFCRZSEYMGNQX-UHFFFAOYSA-N 0 1 231.274 2.452 20 0 BEADMN Cc1c(F)cncc1Nc1nccn1C ZINC001216190941 970972347 /nfs/dbraw/zinc/97/23/47/970972347.db2.gz VIAVRFQHRUCLRS-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCn2cccc2C1 ZINC001256741505 970972205 /nfs/dbraw/zinc/97/22/05/970972205.db2.gz IRGGTUODCVDMIF-ZDUSSCGKSA-N 0 1 241.338 2.330 20 0 BEADMN CC[C@H]1COCCN1[C@@H](C)Cc1ccncc1 ZINC001256744878 970980265 /nfs/dbraw/zinc/98/02/65/970980265.db2.gz ANMOQVLEKCAYNT-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CN(C1COC1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815545 970990524 /nfs/dbraw/zinc/99/05/24/970990524.db2.gz BIJRAFXLOVZOBY-DZGCQCFKSA-N 0 1 247.338 2.237 20 0 BEADMN CC(=O)CN(C)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256809370 970992020 /nfs/dbraw/zinc/99/20/20/970992020.db2.gz ZDKJPIWPBJXBQX-GJZGRUSLSA-N 0 1 247.338 2.428 20 0 BEADMN CCOc1ccc(C)c(-n2cncc2N)c1 ZINC001216235994 970996210 /nfs/dbraw/zinc/99/62/10/970996210.db2.gz GNLFOFSVUGHVAL-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN CC1(C)[C@@H](O)CCN1CC=C(Cl)Cl ZINC000403627666 970998267 /nfs/dbraw/zinc/99/82/67/970998267.db2.gz MHNWWNROWGFFGH-ZETCQYMHSA-N 0 1 224.131 2.151 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)cc1N ZINC001216254809 971004074 /nfs/dbraw/zinc/00/40/74/971004074.db2.gz DPAPPOGONACCOU-UHFFFAOYSA-N 0 1 232.287 2.063 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(CO)cc1F ZINC001216272045 971009844 /nfs/dbraw/zinc/00/98/44/971009844.db2.gz JEFAWJTVWLGWEX-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN C[C@H]1CCN(CC=C(Cl)Cl)[C@@H]1CO ZINC000403664899 971011927 /nfs/dbraw/zinc/01/19/27/971011927.db2.gz UBBPTTRYLYRATF-JGVFFNPUSA-N 0 1 224.131 2.008 20 0 BEADMN Cc1nccc(-c2cccc3nc[nH]c32)n1 ZINC001243930079 971028855 /nfs/dbraw/zinc/02/88/55/971028855.db2.gz VJTQAHQPCJQDCI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COC(=O)CCCOc1cc(C)nc(C)c1 ZINC001329605384 973848612 /nfs/dbraw/zinc/84/86/12/973848612.db2.gz WVPOEHZKUHZRHK-UHFFFAOYSA-N 0 1 223.272 2.030 20 0 BEADMN COc1cc(C)ncc1C1=CNCCC1 ZINC001243951167 971038639 /nfs/dbraw/zinc/03/86/39/971038639.db2.gz UOXKXUFITSYGOA-UHFFFAOYSA-N 0 1 204.273 2.123 20 0 BEADMN Fc1ccc(CCCN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001208769822 1169505201 /nfs/dbraw/zinc/50/52/01/1169505201.db2.gz GGTBFVXQBWFWKY-KBPBESRZSA-N 0 1 235.302 2.231 20 0 BEADMN C[NH+]1CC2(CN(CCCc3ccc(F)cc3)C2)C1 ZINC001208772037 1169506639 /nfs/dbraw/zinc/50/66/39/1169506639.db2.gz OCUKBBWCDSSYMA-UHFFFAOYSA-N 0 1 248.345 2.006 20 0 BEADMN C[C@H](OC[C@H]1CCCCN1C)C(F)(F)F ZINC001224703470 973869568 /nfs/dbraw/zinc/86/95/68/973869568.db2.gz SZUSDNJCJUFTML-DTWKUNHWSA-N 0 1 225.254 2.438 20 0 BEADMN COc1cc(C)c(C)cc1-n1cncc1N ZINC001216373285 971065169 /nfs/dbraw/zinc/06/51/69/971065169.db2.gz CXGBWEFAKFFOSU-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CC(C)c1nccnc1NC1=CCCOC1 ZINC001216506753 971107417 /nfs/dbraw/zinc/10/74/17/971107417.db2.gz SLGPLMUCORGTCR-UHFFFAOYSA-N 0 1 219.288 2.316 20 0 BEADMN COc1cc(NC2=CCCOC2)ncc1C ZINC001216506780 971107621 /nfs/dbraw/zinc/10/76/21/971107621.db2.gz TUHNDJVVBIANBD-UHFFFAOYSA-N 0 1 220.272 2.115 20 0 BEADMN Cc1cc(CNC/C=C/Cl)sn1 ZINC000404321537 971153603 /nfs/dbraw/zinc/15/36/03/971153603.db2.gz JNJPZNIBWDVCAP-NSCUHMNNSA-N 0 1 202.710 2.294 20 0 BEADMN CCC[C@H](CC)N1CCn2nccc2C1 ZINC001257269867 971173350 /nfs/dbraw/zinc/17/33/50/971173350.db2.gz MICKCWVSJGGNRL-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN Cn1cncc1Nc1ccc(C2OCCO2)cc1 ZINC001211251202 1169533003 /nfs/dbraw/zinc/53/30/03/1169533003.db2.gz ZRGRNHRGGGSNBP-UHFFFAOYSA-N 0 1 245.282 2.209 20 0 BEADMN Cc1nn(C)c2cc(Nc3cncn3C)ccc12 ZINC001211251146 1169532416 /nfs/dbraw/zinc/53/24/16/1169532416.db2.gz UJINIRMRFMJORW-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN C[C@@H]1CCCCN(C(=O)c2ccncc2O)C1 ZINC000186245125 971187846 /nfs/dbraw/zinc/18/78/46/971187846.db2.gz BTUDLFJLBKDLJQ-SNVBAGLBSA-N 0 1 234.299 2.049 20 0 BEADMN CNc1cc(F)cc(Nc2ccncc2)c1 ZINC001216184129 1169541261 /nfs/dbraw/zinc/54/12/61/1169541261.db2.gz KDZSMIJCOVGEBB-UHFFFAOYSA-N 0 1 217.247 2.428 20 0 BEADMN CCC[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1 ZINC001257316515 971213373 /nfs/dbraw/zinc/21/33/73/971213373.db2.gz GETCDCPQZHIRDB-JTQLQIEISA-N 0 1 242.363 2.384 20 0 BEADMN COc1cc(Nc2c(C)ncn2C)cnc1F ZINC001216420343 1169543166 /nfs/dbraw/zinc/54/31/66/1169543166.db2.gz ROXNGVLIQUFMKU-UHFFFAOYSA-N 0 1 236.250 2.015 20 0 BEADMN CN(Cc1nc[nH]n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001329893683 974008214 /nfs/dbraw/zinc/00/82/14/974008214.db2.gz XASBFNXSOQVQDP-WDEREUQCSA-N 0 1 236.363 2.451 20 0 BEADMN CCCCCC[C@@H](CC)n1nnnc1CN ZINC001170579629 971248190 /nfs/dbraw/zinc/24/81/90/971248190.db2.gz VWHICEOYVUHUMQ-SNVBAGLBSA-N 0 1 225.340 2.053 20 0 BEADMN COc1cccc(C2(NC3CCCC3)COC2)c1 ZINC001257345708 971256851 /nfs/dbraw/zinc/25/68/51/971256851.db2.gz IICAUQKFJGMOCG-UHFFFAOYSA-N 0 1 247.338 2.453 20 0 BEADMN C[C@@H](NC1CCCC1)c1ncc(F)cn1 ZINC001257346135 971258488 /nfs/dbraw/zinc/25/84/88/971258488.db2.gz NTZCIYYRWGIAMG-MRVPVSSYSA-N 0 1 209.268 2.209 20 0 BEADMN COCc1noc2c1CN(C1CCCC1)CC2 ZINC001257350970 971262466 /nfs/dbraw/zinc/26/24/66/971262466.db2.gz JMFJLGSAIAKCTC-UHFFFAOYSA-N 0 1 236.315 2.122 20 0 BEADMN CCCCCC[C@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001257362576 971279688 /nfs/dbraw/zinc/27/96/88/971279688.db2.gz DJFFMKPOGMTROT-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCCC[C@@H](C)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001257359983 971274561 /nfs/dbraw/zinc/27/45/61/971274561.db2.gz GOQBRVYZIOMPAI-PSASIEDQSA-N 0 1 244.360 2.244 20 0 BEADMN C[C@H](N[C@@H]1CO[C@@H](C)[C@H]1C)c1cscn1 ZINC000405677464 971289248 /nfs/dbraw/zinc/28/92/48/971289248.db2.gz YCHAUXZCEQNJGD-XFWSIPNHSA-N 0 1 226.345 2.217 20 0 BEADMN CCCCOC(=O)CC[C@@H](C)N(C)CC(C)=O ZINC001257390256 971296834 /nfs/dbraw/zinc/29/68/34/971296834.db2.gz BBJKXFVDURYPOK-LLVKDONJSA-N 0 1 243.347 2.019 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC2CC2)[C@@H](C(=O)[O-])C1 ZINC000405970814 971322241 /nfs/dbraw/zinc/32/22/41/971322241.db2.gz QXZSFAZCPOQVJM-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC2CC2)[C@H](C(=O)[O-])C1 ZINC000405970815 971324638 /nfs/dbraw/zinc/32/46/38/971324638.db2.gz QXZSFAZCPOQVJM-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CCCCCCc1nnc(C(C)(C)N)o1 ZINC001217696125 971336481 /nfs/dbraw/zinc/33/64/81/971336481.db2.gz BGRHDHYSFAFLOZ-UHFFFAOYSA-N 0 1 211.309 2.386 20 0 BEADMN Clc1ccc(Cc2nnc([C@@H]3CCN3)o2)cc1 ZINC001217694331 971328491 /nfs/dbraw/zinc/32/84/91/971328491.db2.gz FCGNXSKDIKCASC-JTQLQIEISA-N 0 1 249.701 2.348 20 0 BEADMN CCCCCCc1nnc([C@@H]2CCN2)o1 ZINC001217694319 971329449 /nfs/dbraw/zinc/32/94/49/971329449.db2.gz DXGVFYHOQZEGLR-VIFPVBQESA-N 0 1 209.293 2.227 20 0 BEADMN CC(C)Cc1nnc([C@H]2NCCC[C@H]2C)o1 ZINC001217702092 971340739 /nfs/dbraw/zinc/34/07/39/971340739.db2.gz HYICRWFZKJACGB-KOLCDFICSA-N 0 1 223.320 2.329 20 0 BEADMN CC(C)Cc1nnc([C@@H]2CC[C@@H](C)CN2)o1 ZINC001217702466 971343947 /nfs/dbraw/zinc/34/39/47/971343947.db2.gz KQLVKWAJXNADOZ-ZJUUUORDSA-N 0 1 223.320 2.329 20 0 BEADMN C[C@H]1CCCN[C@H]1c1nnc(C2CC2)o1 ZINC001217702603 971345109 /nfs/dbraw/zinc/34/51/09/971345109.db2.gz LUWUFGQNXSUHIE-IONNQARKSA-N 0 1 207.277 2.008 20 0 BEADMN Clc1ccc(-c2nnc([C@H]3CCN3)o2)cc1 ZINC001217719111 971358807 /nfs/dbraw/zinc/35/88/07/971358807.db2.gz WDUDJRCHRMBHLV-SECBINFHSA-N 0 1 235.674 2.424 20 0 BEADMN Clc1ccc(Cc2nnc([C@H]3CCN3)o2)cc1 ZINC001217717755 971360717 /nfs/dbraw/zinc/36/07/17/971360717.db2.gz FCGNXSKDIKCASC-SNVBAGLBSA-N 0 1 249.701 2.348 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001257478754 971403270 /nfs/dbraw/zinc/40/32/70/971403270.db2.gz TULVTZBBCULWCJ-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001257514891 971436547 /nfs/dbraw/zinc/43/65/47/971436547.db2.gz GSIJXVGFZMRICA-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN Fc1cnc(CN[C@@H]2CCCSC2)c(F)c1 ZINC001257661624 971462958 /nfs/dbraw/zinc/46/29/58/971462958.db2.gz UOQLXRUCJASLKF-SECBINFHSA-N 0 1 244.310 2.345 20 0 BEADMN OCc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1 ZINC001244910514 971501239 /nfs/dbraw/zinc/50/12/39/971501239.db2.gz RDBMEDGKNPZPTQ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001244910514 971501247 /nfs/dbraw/zinc/50/12/47/971501247.db2.gz RDBMEDGKNPZPTQ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC(C)OC1CCC(N2CC3(CCO3)C2)CC1 ZINC001257883388 971519404 /nfs/dbraw/zinc/51/94/04/971519404.db2.gz ZKTHQALPGQYPMC-UHFFFAOYSA-N 0 1 239.359 2.197 20 0 BEADMN Cc1cccnc1CNc1cc(C(=O)[O-])cc[nH+]1 ZINC000071345351 948990126 /nfs/dbraw/zinc/99/01/26/948990126.db2.gz ULGWJQUQZJGZNV-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN CC(C)c1ccc2c(c1)CC[N@H+](CC(=O)[O-])C2 ZINC000071494771 948991536 /nfs/dbraw/zinc/99/15/36/948991536.db2.gz SHYCVGLWUKNKHI-UHFFFAOYSA-N 0 1 233.311 2.253 20 0 BEADMN O=C([O-])C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000077385302 949001701 /nfs/dbraw/zinc/00/17/01/949001701.db2.gz NHHHPSCIWKEVIQ-JTQLQIEISA-N 0 1 239.702 2.214 20 0 BEADMN O=C([O-])C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000077385297 949001911 /nfs/dbraw/zinc/00/19/11/949001911.db2.gz NHHHPSCIWKEVIQ-SNVBAGLBSA-N 0 1 239.702 2.214 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)[O-] ZINC000082657928 949022442 /nfs/dbraw/zinc/02/24/42/949022442.db2.gz JEGNUPBXAXMUNP-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)[O-] ZINC000082657931 949024937 /nfs/dbraw/zinc/02/49/37/949024937.db2.gz JEGNUPBXAXMUNP-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCCSC)C1 ZINC000083412975 949030948 /nfs/dbraw/zinc/03/09/48/949030948.db2.gz RJEDQWVKAZTHPH-LBPRGKRZSA-N 0 1 245.388 2.316 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCC2CC2)C1 ZINC000083935084 949038524 /nfs/dbraw/zinc/03/85/24/949038524.db2.gz OYOTWNCXWUYTRS-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN OC1CN(C2CCC(c3ccccc3)CC2)C1 ZINC001257995917 971549614 /nfs/dbraw/zinc/54/96/14/971549614.db2.gz CVQORZKPFMSIQX-UHFFFAOYSA-N 0 1 231.339 2.389 20 0 BEADMN CCC[C@H](CNc1cc(C(=O)[O-])cc[nH+]1)OC ZINC000378850203 971586403 /nfs/dbraw/zinc/58/64/03/971586403.db2.gz VJSWCZZCUKDXLM-SNVBAGLBSA-N 0 1 238.287 2.007 20 0 BEADMN CC1(C)CC[N@H+]([C@@H](C(=O)[O-])C2CC2)CCS1 ZINC000231054106 949746304 /nfs/dbraw/zinc/74/63/04/949746304.db2.gz WEZYMTRQXLSRSD-SNVBAGLBSA-N 0 1 243.372 2.067 20 0 BEADMN CC(F)(F)CCNc1cc(C(=O)[O-])cc[nH+]1 ZINC000379192500 971611934 /nfs/dbraw/zinc/61/19/34/971611934.db2.gz VAONTCRTJUXIOL-UHFFFAOYSA-N 0 1 230.214 2.237 20 0 BEADMN CC[C@@H]1CCCC[C@H]1Oc1n[nH]c2c1CNCC2 ZINC001218214710 971632708 /nfs/dbraw/zinc/63/27/08/971632708.db2.gz QRPNYYBXFJUHMQ-ZWNOBZJWSA-N 0 1 249.358 2.403 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3nc(C4CC4)no3)C[C@@H]21 ZINC001170725228 971658357 /nfs/dbraw/zinc/65/83/57/971658357.db2.gz WJGNUVAUZIVUTO-RTCCRHLQSA-N 0 1 247.342 2.471 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3nc(C4CC4)no3)C[C@@H]21 ZINC001170725227 971658873 /nfs/dbraw/zinc/65/88/73/971658873.db2.gz WJGNUVAUZIVUTO-JGPRNRPPSA-N 0 1 247.342 2.471 20 0 BEADMN CN(C)c1cccc(N2C3CCC2CC3)n1 ZINC001159077664 971671604 /nfs/dbraw/zinc/67/16/04/971671604.db2.gz DITQWDDDORBEAC-UHFFFAOYSA-N 0 1 217.316 2.279 20 0 BEADMN CC(C)(C)C[C@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000307812261 950617119 /nfs/dbraw/zinc/61/71/19/950617119.db2.gz IVYDLEVIWUKXKC-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)(C)C[C@@H]1CC[N@@H+](CCC(=O)[O-])C1 ZINC000307812259 950617292 /nfs/dbraw/zinc/61/72/92/950617292.db2.gz IVYDLEVIWUKXKC-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H](CC(=O)OCc1nnc[nH]1)C(C)(C)C ZINC001330601949 974349591 /nfs/dbraw/zinc/34/95/91/974349591.db2.gz CYNZKDXQWURCBM-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN c1cc2c(ccnc2C2=CCCOC2)[nH]1 ZINC001245155319 971698150 /nfs/dbraw/zinc/69/81/50/971698150.db2.gz SJWOWBZKMRBLNU-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN Cc1ncc2n1CCN([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747628 971714352 /nfs/dbraw/zinc/71/43/52/971714352.db2.gz UKRGCDUEFKMDPY-UBSAEIQESA-N 0 1 245.370 2.442 20 0 BEADMN CCC1(CC)C[N@@H+](CCC(=O)[O-])CCS1 ZINC000380043201 951178860 /nfs/dbraw/zinc/17/88/60/951178860.db2.gz UYZPUXHKKOOJAC-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN Cn1cnc2c1CN([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170764704 971753188 /nfs/dbraw/zinc/75/31/88/971753188.db2.gz LJZOYVUMPTVKTI-CNDDSTCGSA-N 0 1 245.370 2.213 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170764635 971754241 /nfs/dbraw/zinc/75/42/41/971754241.db2.gz KSNSZMCHUKOJRC-CNDDSTCGSA-N 0 1 239.359 2.306 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000399073872 951631871 /nfs/dbraw/zinc/63/18/71/951631871.db2.gz RDIJHGAUSXGBCT-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN CCC=CNc1nccnc1OC(F)F ZINC001170766930 971765337 /nfs/dbraw/zinc/76/53/37/971765337.db2.gz BYRCDJDSXXQWCB-ONEGZZNKSA-N 0 1 215.203 2.414 20 0 BEADMN CCCC=Nc1nncc2cnccc21 ZINC001170767460 971768313 /nfs/dbraw/zinc/76/83/13/971768313.db2.gz QJRAPGJTVKTXDC-HWKANZROSA-N 0 1 200.245 2.360 20 0 BEADMN CC[N@@H+]([C@@H](C)C(=O)OC)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170768685 971768695 /nfs/dbraw/zinc/76/86/95/971768695.db2.gz ZVKYWRKNWPFVFZ-YFKTTZPYSA-N 0 1 239.359 2.304 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H](C)C(C)C)n1 ZINC001229438346 1169661517 /nfs/dbraw/zinc/66/15/17/1169661517.db2.gz IRCKWFMHHDBDOO-SSDOTTSWSA-N 0 1 220.276 2.085 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@@]1(C)CCCS1 ZINC000382116160 971799651 /nfs/dbraw/zinc/79/96/51/971799651.db2.gz FPUNDQMIUSOQRT-JFGNBEQYSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@H]1CCC(C)(C)N1C(=O)c1ccc(CN)o1 ZINC001330891720 974525139 /nfs/dbraw/zinc/52/51/39/974525139.db2.gz ISVCWJKKFRHJNJ-VIFPVBQESA-N 0 1 236.315 2.141 20 0 BEADMN CC[C@H](C)OCC[C@H](C)n1ccnc1CN ZINC001172321332 974529663 /nfs/dbraw/zinc/52/96/63/974529663.db2.gz JBAUZJMJFWHYJA-QWRGUYRKSA-N 0 1 225.336 2.108 20 0 BEADMN CC1(C)C[NH+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000382720273 971830934 /nfs/dbraw/zinc/83/09/34/971830934.db2.gz HNRQOOZSABGYDN-UHFFFAOYSA-N 0 1 237.274 2.366 20 0 BEADMN CC(C)OCCC[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000382841984 971836601 /nfs/dbraw/zinc/83/66/01/971836601.db2.gz FURXPYBGDAHNCF-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)NCc1nonc1C ZINC001172322939 974534031 /nfs/dbraw/zinc/53/40/31/974534031.db2.gz ZHJRDAMPHGAZPF-VHSXEESVSA-N 0 1 241.335 2.061 20 0 BEADMN CCC1(CC)CCCN1C(=O)Cc1ccn[nH]1 ZINC001330933370 974537215 /nfs/dbraw/zinc/53/72/15/974537215.db2.gz JJOBHLBLGDVUPH-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)NCc1cocn1 ZINC001172323818 974534661 /nfs/dbraw/zinc/53/46/61/974534661.db2.gz DVVXFBZZCGAERK-GHMZBOCLSA-N 0 1 226.320 2.358 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000383828744 971896698 /nfs/dbraw/zinc/89/66/98/971896698.db2.gz IVLIPNLXSLOITJ-JMQBSKDBSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000383828747 971896849 /nfs/dbraw/zinc/89/68/49/971896849.db2.gz IVLIPNLXSLOITJ-XHHWIUDKSA-N 0 1 211.305 2.138 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])no1 ZINC000384058328 971908561 /nfs/dbraw/zinc/90/85/61/971908561.db2.gz XQMWVDNQIZAPOD-VIFPVBQESA-N 0 1 240.303 2.383 20 0 BEADMN Cc1cc(C)cc(NC(=O)c2cnncc2O)c1 ZINC001135543727 971912027 /nfs/dbraw/zinc/91/20/27/971912027.db2.gz LRNCNHVXKZLVAC-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cn(C)nc1Cl ZINC001331067829 974584424 /nfs/dbraw/zinc/58/44/24/974584424.db2.gz PFWIKTAKGGYNIQ-QMMMGPOBSA-N 0 1 227.739 2.304 20 0 BEADMN CC[C@@H](C)[C@@H](C)N1CCn2cncc2C1 ZINC001170826142 971929099 /nfs/dbraw/zinc/92/90/99/971929099.db2.gz FZYGZJINYNKQPW-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(N)c1 ZINC001218827721 971949070 /nfs/dbraw/zinc/94/90/70/971949070.db2.gz WEQQUUQHLIYSKN-CYBMUJFWSA-N 0 1 247.342 2.082 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1CCOC[C@H]1C ZINC001172340850 974608621 /nfs/dbraw/zinc/60/86/21/974608621.db2.gz RKWFAGAESSLDPQ-JHJVBQTASA-N 0 1 229.364 2.301 20 0 BEADMN CCCc1ccc(N[C@@](N)(CC)CO)cc1 ZINC001170863582 971992896 /nfs/dbraw/zinc/99/28/96/971992896.db2.gz OXQOPUPARXCDQE-ZDUSSCGKSA-N 0 1 222.332 2.108 20 0 BEADMN CC1(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000687301304 954615371 /nfs/dbraw/zinc/61/53/71/954615371.db2.gz XHWPILDTOYNFKN-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N(C)[C@@H](C)C(=O)OC ZINC001172353842 974623732 /nfs/dbraw/zinc/62/37/32/974623732.db2.gz OOVVFSBNNQCHGT-TUAOUCFPSA-N 0 1 245.363 2.073 20 0 BEADMN Fc1cccc2c1C[C@H](NCc1ccon1)CC2 ZINC001170949529 972137200 /nfs/dbraw/zinc/13/72/00/972137200.db2.gz OTNFAEBFZJKUFB-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN CN1CCC=C(c2cccc3c2NC(=O)NC3)C1 ZINC001241571881 1169734391 /nfs/dbraw/zinc/73/43/91/1169734391.db2.gz JWAACEFGAPVRMB-UHFFFAOYSA-N 0 1 243.310 2.041 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2cccc(F)c2C1 ZINC001170986423 972207910 /nfs/dbraw/zinc/20/79/10/972207910.db2.gz TXNGZBGGTUGIET-LBPRGKRZSA-N 0 1 235.302 2.204 20 0 BEADMN Oc1cc(F)c(-c2ccc(F)nn2)cc1F ZINC001206760776 956913366 /nfs/dbraw/zinc/91/33/66/956913366.db2.gz CJQVPNKKLWDDNH-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCCn1cccn1 ZINC001208078467 956936969 /nfs/dbraw/zinc/93/69/69/956936969.db2.gz MXYRVCJSORSOIS-CYBMUJFWSA-N 0 1 244.342 2.152 20 0 BEADMN CC/C=C\CCCN1C[C@H](F)[C@@H](OC)C1 ZINC001208134420 956985204 /nfs/dbraw/zinc/98/52/04/956985204.db2.gz KKGGHUSSEKLUPQ-DFPOMNKCSA-N 0 1 215.312 2.402 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1CC[C@H](C)SC ZINC001208149049 957022888 /nfs/dbraw/zinc/02/28/88/957022888.db2.gz YJOVLUXIXRDVQA-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H](CN(C)C1(C)COC1)OCc1ccccc1 ZINC001208702001 957135220 /nfs/dbraw/zinc/13/52/20/957135220.db2.gz GIRRTPAZSUMTCT-ZDUSSCGKSA-N 0 1 249.354 2.312 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@H](O)CC2)cs1 ZINC001206799151 957173652 /nfs/dbraw/zinc/17/36/52/957173652.db2.gz OXRRQTNIVITMBT-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1CC(CN2CCC(=O)C[C@H]2C)C[C@@H](C)O1 ZINC000724481255 957193732 /nfs/dbraw/zinc/19/37/32/957193732.db2.gz TVJIQDKSLYMUTC-IJLUTSLNSA-N 0 1 239.359 2.243 20 0 BEADMN C[N@H+](Cc1occc1C(=O)[O-])Cc1ccccn1 ZINC000036777763 957234640 /nfs/dbraw/zinc/23/46/40/957234640.db2.gz FWFGBNQFGNEXQT-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccn1 ZINC000036777763 957234648 /nfs/dbraw/zinc/23/46/48/957234648.db2.gz FWFGBNQFGNEXQT-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN Clc1ncc(CN2C[C@@H]3CCC[C@H]3C2)cn1 ZINC001139986656 957299899 /nfs/dbraw/zinc/29/98/99/957299899.db2.gz BRSTVJSHIUQFJJ-QWRGUYRKSA-N 0 1 237.734 2.362 20 0 BEADMN CC(C)/C=C/C(=O)Nc1ccc2[nH]nnc2c1 ZINC000194727465 972263051 /nfs/dbraw/zinc/26/30/51/972263051.db2.gz LEVZHUSVFMPESC-ZZXKWVIFSA-N 0 1 230.271 2.109 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000042163546 957403944 /nfs/dbraw/zinc/40/39/44/957403944.db2.gz NODJNVZDHBZLIH-SNVBAGLBSA-N 0 1 225.313 2.187 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000042163547 957404332 /nfs/dbraw/zinc/40/43/32/957404332.db2.gz NODJNVZDHBZLIH-JTQLQIEISA-N 0 1 225.313 2.187 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccc(F)c1F)C(=O)[O-] ZINC000042707532 957427327 /nfs/dbraw/zinc/42/73/27/957427327.db2.gz UUSPGXFXROIJMV-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN O=C([O-])CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000390222298 972271022 /nfs/dbraw/zinc/27/10/22/972271022.db2.gz ZMKJZFPMAAHMLW-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CCOc1ccnc(N2CC[C@H]3OCC[C@H]3C2)c1 ZINC001167216437 957548464 /nfs/dbraw/zinc/54/84/64/957548464.db2.gz UTCQBGYVPLSMFB-WCQYABFASA-N 0 1 248.326 2.096 20 0 BEADMN C=CCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000141520415 957553403 /nfs/dbraw/zinc/55/34/03/957553403.db2.gz XGAFZFUTBRRLRS-UHFFFAOYSA-N 0 1 248.326 2.181 20 0 BEADMN Cc1cncc(Nc2cnc(N)cc2C)c1 ZINC001209961471 957582092 /nfs/dbraw/zinc/58/20/92/957582092.db2.gz KXOOMXZCCVJBLZ-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(F)cn1 ZINC001209962240 957588458 /nfs/dbraw/zinc/58/84/58/957588458.db2.gz SZRQFLDQJPLYJC-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Cc1cc2cc[nH]c2c(NCc2cncnc2)n1 ZINC001167256398 957594560 /nfs/dbraw/zinc/59/45/60/957594560.db2.gz OOPMTRJJMNUPOO-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1[nH+]cn(Cc2ccc(C(=O)[O-])cc2F)c1C ZINC000062757914 957609566 /nfs/dbraw/zinc/60/95/66/957609566.db2.gz XMBMBAOIMSTHSH-UHFFFAOYSA-N 0 1 248.257 2.386 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000071738233 957731128 /nfs/dbraw/zinc/73/11/28/957731128.db2.gz WCDYDOQMPWEUJE-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCOCC[C@@H](C)NCc1nc(CC)co1 ZINC001172406526 974663699 /nfs/dbraw/zinc/66/36/99/974663699.db2.gz MEBNHLLDVLBXIE-SNVBAGLBSA-N 0 1 226.320 2.142 20 0 BEADMN Cc1ccc(CC[N@@H+](CC(=O)[O-])C2CC2)cc1C ZINC000082294655 957790106 /nfs/dbraw/zinc/79/01/06/957790106.db2.gz UHBLBWNKHFYBPO-UHFFFAOYSA-N 0 1 247.338 2.395 20 0 BEADMN Cc1c2nc[nH]c2ccc1NC1CC(=O)C1 ZINC001167341600 957801741 /nfs/dbraw/zinc/80/17/41/957801741.db2.gz WMFWGDCKAMNAJD-UHFFFAOYSA-N 0 1 215.256 2.015 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2cccc(Cl)c2C1 ZINC000082791529 957804482 /nfs/dbraw/zinc/80/44/82/957804482.db2.gz ABDKQVJEVBWACI-QMMMGPOBSA-N 0 1 239.702 2.171 20 0 BEADMN CCc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)[O-])CC2 ZINC000082791291 957805772 /nfs/dbraw/zinc/80/57/72/957805772.db2.gz NASQMBAHWJKJPR-SNVBAGLBSA-N 0 1 233.311 2.080 20 0 BEADMN Cc1nc(CNC[C@H](O)C2CCC2)sc1C ZINC000316842611 972294549 /nfs/dbraw/zinc/29/45/49/972294549.db2.gz WXBFVSPPJSGXCW-NSHDSACASA-N 0 1 240.372 2.011 20 0 BEADMN C[C@H](CC(=O)[O-])SCC[C@H]1CCCC[N@H+]1C ZINC000085157623 957878586 /nfs/dbraw/zinc/87/85/86/957878586.db2.gz CCQULGQYGCRMMF-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN CC=C(C)Nc1ccc(N2CCN(C)CC2)nc1 ZINC001210792325 957881590 /nfs/dbraw/zinc/88/15/90/957881590.db2.gz LFMUDWOBDKYUMH-UUILKARUSA-N 0 1 246.358 2.169 20 0 BEADMN C[C@H](NC(=O)[C@](C)(N)c1ccccc1)C1(C)CC1 ZINC000706518370 957937737 /nfs/dbraw/zinc/93/77/37/957937737.db2.gz IQBXISGTWUQOPH-XHDPSFHLSA-N 0 1 246.354 2.165 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])C/C(Cl)=C/Cl ZINC000086000740 957950163 /nfs/dbraw/zinc/95/01/63/957950163.db2.gz HTRWSAXYSUTNGU-BAQGIRSFSA-N 0 1 240.130 2.348 20 0 BEADMN CSc1cncc(Nc2ccncc2)c1 ZINC001211068866 958012106 /nfs/dbraw/zinc/01/21/06/958012106.db2.gz GQUAYEVWXYACPN-UHFFFAOYSA-N 0 1 217.297 2.364 20 0 BEADMN CSc1cncc(Nc2nnc(C)o2)c1 ZINC001211068623 958015873 /nfs/dbraw/zinc/01/58/73/958015873.db2.gz DEYQUAWBSOGJPW-UHFFFAOYSA-N 0 1 222.273 2.239 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140276607 958053719 /nfs/dbraw/zinc/05/37/19/958053719.db2.gz HMKMBISSSKYNEX-LLVKDONJSA-N 0 1 240.253 2.018 20 0 BEADMN OCc1cc(Nc2cnccc2Cl)ccn1 ZINC001211209336 958054623 /nfs/dbraw/zinc/05/46/23/958054623.db2.gz BLPILAJQPOPNHK-UHFFFAOYSA-N 0 1 235.674 2.366 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001140276608 958055342 /nfs/dbraw/zinc/05/53/42/958055342.db2.gz HMKMBISSSKYNEX-NSHDSACASA-N 0 1 240.253 2.018 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccncc1[O-] ZINC001140277472 958058954 /nfs/dbraw/zinc/05/89/54/958058954.db2.gz APXFZBCJXAOUDI-NSHDSACASA-N 0 1 206.289 2.162 20 0 BEADMN Cn1cncc1N(c1ccc(N)cn1)C1CCC1 ZINC001211248583 958107806 /nfs/dbraw/zinc/10/78/06/958107806.db2.gz OYCAQXYWNCUXGZ-UHFFFAOYSA-N 0 1 243.314 2.088 20 0 BEADMN Cc1c(O)ccc(Nc2cncn2C)c1C ZINC001211250066 958113607 /nfs/dbraw/zinc/11/36/07/958113607.db2.gz GXWZEIWGHZXZIE-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN Cn1cncc1Nc1ccc2oc(=O)ccc2c1 ZINC001211254370 958118197 /nfs/dbraw/zinc/11/81/97/958118197.db2.gz UJPZPEPJXLZRGC-UHFFFAOYSA-N 0 1 241.250 2.270 20 0 BEADMN Cc1cc(O)cc(Nc2cncn2C)c1 ZINC001211251631 958121133 /nfs/dbraw/zinc/12/11/33/958121133.db2.gz LECRXZIAIFYFGP-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN C[C@H]1CCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137010507 972325655 /nfs/dbraw/zinc/32/56/55/972325655.db2.gz UKXDYXYUPBLPGP-ZETCQYMHSA-N 0 1 233.237 2.413 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000723124681 958161711 /nfs/dbraw/zinc/16/17/11/958161711.db2.gz BUPLQPYPXNKRQP-WHOHXGKFSA-N 0 1 225.332 2.075 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000723141951 958166369 /nfs/dbraw/zinc/16/63/69/958166369.db2.gz GIZIAXMJDJDHME-USZNOCQGSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1cc(CN2CC3(CN(C)C3)C2)cc(C)c1F ZINC001143387868 958217978 /nfs/dbraw/zinc/21/79/78/958217978.db2.gz WXDDMAKDNAIJOP-UHFFFAOYSA-N 0 1 248.345 2.190 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCOC[C@H]3C)c2c1 ZINC001140328639 958220229 /nfs/dbraw/zinc/22/02/29/958220229.db2.gz JCUBGOFCTBXHNT-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC(C(F)F)CC1 ZINC000307879511 958241185 /nfs/dbraw/zinc/24/11/85/958241185.db2.gz XHHUKIUJQZOEID-OQFOIZHKSA-N 0 1 247.285 2.083 20 0 BEADMN COc1ccc(CN2CC[C@@](C)(CF)C2)cn1 ZINC001137031861 972332025 /nfs/dbraw/zinc/33/20/25/972332025.db2.gz LLBFAIVUVQTOHJ-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN c1cc(CN2CC[C@]23CCOC3)cc2c1COC2 ZINC001137030922 972333949 /nfs/dbraw/zinc/33/39/49/972333949.db2.gz STZGRTNGVOHKIT-OAHLLOKOSA-N 0 1 245.322 2.082 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccc2n[nH]cc2c1 ZINC001140389567 958302049 /nfs/dbraw/zinc/30/20/49/958302049.db2.gz BLVVGGSHMIOGBF-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(C(C)C)on1)N(C)C ZINC001137047387 972343773 /nfs/dbraw/zinc/34/37/73/972343773.db2.gz RBQVTBVFHITYPJ-VIFPVBQESA-N 0 1 239.319 2.077 20 0 BEADMN CC[C@@H](C)[C@@H](C)Sc1nc(N)cc(N)n1 ZINC000318864773 972351867 /nfs/dbraw/zinc/35/18/67/972351867.db2.gz KDARBJGQYXHNKQ-RNFRBKRXSA-N 0 1 226.349 2.168 20 0 BEADMN C/C(=C\C=C\N)N[C@@H](C)c1ccc(F)cn1 ZINC001167483032 958436510 /nfs/dbraw/zinc/43/65/10/958436510.db2.gz HFLGIVVKWAJUGY-YZEOMEATSA-N 0 1 221.279 2.248 20 0 BEADMN CCc1cc(Nc2ccnc(CO)c2)ccc1N ZINC001216036062 958459138 /nfs/dbraw/zinc/45/91/38/958459138.db2.gz MJSSMXVSIOMLIO-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN Cc1[nH+]c(NCCc2ccco2)ccc1C(=O)[O-] ZINC000124211161 958524387 /nfs/dbraw/zinc/52/43/87/958524387.db2.gz CZZZLJMOOBHTKM-UHFFFAOYSA-N 0 1 246.266 2.336 20 0 BEADMN C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)C(F)F ZINC001299157953 958578602 /nfs/dbraw/zinc/57/86/02/958578602.db2.gz SCDPGXFHROXCIY-RXMQYKEDSA-N 0 1 249.644 2.429 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CC[C@@H](CO)C1 ZINC001143764377 972359182 /nfs/dbraw/zinc/35/91/82/972359182.db2.gz PRNMFEZNTHFMGV-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CCC[C@H](O)C1 ZINC001143757128 972362468 /nfs/dbraw/zinc/36/24/68/972362468.db2.gz QRQSPJWWGDTSNE-LBPRGKRZSA-N 0 1 241.281 2.230 20 0 BEADMN C[C@H]1CN(c2cc(C(=O)[O-])cc[nH+]2)CC[C@@H]1C ZINC000130118518 958726960 /nfs/dbraw/zinc/72/69/60/958726960.db2.gz RLQJFUCJKMNZMQ-UWVGGRQHSA-N 0 1 234.299 2.262 20 0 BEADMN C[C@@H]1CCN(c2cc(C(=O)[O-])cc[nH+]2)C[C@@H]1C ZINC000130118292 958728133 /nfs/dbraw/zinc/72/81/33/958728133.db2.gz RLQJFUCJKMNZMQ-ZJUUUORDSA-N 0 1 234.299 2.262 20 0 BEADMN CCCCOC(=O)CN(CC(C)C)C1CC1 ZINC000042249970 958803303 /nfs/dbraw/zinc/80/33/03/958803303.db2.gz SFKDGHNLZAONBC-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN FCCN1CCC(OCc2ccncc2)CC1 ZINC001222124627 972378648 /nfs/dbraw/zinc/37/86/48/972378648.db2.gz YXNNWMVHBLIYQI-UHFFFAOYSA-N 0 1 238.306 2.032 20 0 BEADMN CC[N@@H+](Cc1cnccc1C)C(C)(C)C(=O)[O-] ZINC000135553083 958890974 /nfs/dbraw/zinc/89/09/74/958890974.db2.gz LGPYGZXGJAJGFC-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CC(C)n1ncnc1CNC[C@]12C[C@H]1CCC2 ZINC000693619053 959008650 /nfs/dbraw/zinc/00/86/50/959008650.db2.gz JTJOIPRYBFLMEF-YPMHNXCESA-N 0 1 234.347 2.139 20 0 BEADMN Cc1nnc([C@H](C)NC2CC(C)C2)s1 ZINC000307444868 959215995 /nfs/dbraw/zinc/21/59/95/959215995.db2.gz BZYMLJFRWYYHNH-CRMOQAEOSA-N 0 1 211.334 2.296 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H](C)C(C)C)n[nH]1 ZINC001327116319 972417814 /nfs/dbraw/zinc/41/78/14/972417814.db2.gz QJDRZCSIRZCHFC-RKDXNWHRSA-N 0 1 239.319 2.263 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC001327116318 972418636 /nfs/dbraw/zinc/41/86/36/972418636.db2.gz QJDRZCSIRZCHFC-IUCAKERBSA-N 0 1 239.319 2.263 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167804970 959361289 /nfs/dbraw/zinc/36/12/89/959361289.db2.gz OUMKZIGKSHUOLC-RYUDHWBXSA-N 0 1 223.316 2.424 20 0 BEADMN CC/C=C\CCN[C@H](C)c1nnnn1C1CC1 ZINC000588588172 959468925 /nfs/dbraw/zinc/46/89/25/959468925.db2.gz UFFJVTRGWKNFSJ-UMCURTJPSA-N 0 1 235.335 2.015 20 0 BEADMN COc1ccc2c(c1)CN(Cc1cnc(C)[nH]1)C2 ZINC000724782476 959486645 /nfs/dbraw/zinc/48/66/45/959486645.db2.gz AYFPUUWWFSHPOZ-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721607131 959824639 /nfs/dbraw/zinc/82/46/39/959824639.db2.gz YMLCGGFYDCGHEO-ZWNOBZJWSA-N 0 1 248.326 2.400 20 0 BEADMN CCC[C@](C)(CC)C(=O)OCc1nnc[nH]1 ZINC001327162077 972470328 /nfs/dbraw/zinc/47/03/28/972470328.db2.gz PAQKJQBJWFHOBB-NSHDSACASA-N 0 1 225.292 2.064 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816030 959969559 /nfs/dbraw/zinc/96/95/59/959969559.db2.gz IRPAZOXNTMNWKT-GMTAPVOTSA-N 0 1 213.321 2.074 20 0 BEADMN CC(C)[C@H](N)c1cc([C@H]2CCCO2)no1 ZINC000694885779 960024233 /nfs/dbraw/zinc/02/42/33/960024233.db2.gz UXDMOPGHIZUMBD-KOLCDFICSA-N 0 1 210.277 2.182 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C)C(=O)[O-] ZINC000229444182 960083032 /nfs/dbraw/zinc/08/30/32/960083032.db2.gz GGWZDPUGNNELOQ-MSUBTLRASA-N 0 1 225.332 2.384 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230270337 960136213 /nfs/dbraw/zinc/13/62/13/960136213.db2.gz GNCCDJMPPQTXMS-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN CCCCCC(=O)NC1CN(CCC(C)C)C1 ZINC001267636631 960156208 /nfs/dbraw/zinc/15/62/08/960156208.db2.gz KYMCDDAVWVKRIB-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)[N@@H+](CCCCCO)Cc1ncco1 ZINC001141010604 960195896 /nfs/dbraw/zinc/19/58/96/960195896.db2.gz ZNDIAGCPIHCJHU-UHFFFAOYSA-N 0 1 226.320 2.048 20 0 BEADMN CC(C)N(CCCCCO)Cc1ncco1 ZINC001141010604 960195904 /nfs/dbraw/zinc/19/59/04/960195904.db2.gz ZNDIAGCPIHCJHU-UHFFFAOYSA-N 0 1 226.320 2.048 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000232719980 960292909 /nfs/dbraw/zinc/29/29/09/960292909.db2.gz JJHDQDIIDALXLT-NSHDSACASA-N 0 1 248.326 2.258 20 0 BEADMN CC(C)(C)C[N@@H+](C/C=C\Cl)CC(=O)[O-] ZINC000692601085 960332261 /nfs/dbraw/zinc/33/22/61/960332261.db2.gz QMQMPNPLSONMOG-PLNGDYQASA-N 0 1 219.712 2.172 20 0 BEADMN CC(C)(O)CC=Nc1nc2c(s1)CCC2 ZINC001203209356 960375453 /nfs/dbraw/zinc/37/54/53/960375453.db2.gz GOTFSADVPHAWQY-VOTSOKGWSA-N 0 1 224.329 2.328 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCC(F)(F)F ZINC000235354672 960419717 /nfs/dbraw/zinc/41/97/17/960419717.db2.gz XDDUKDUTGZHUGO-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN COc1cccc(CNCc2cc(C)n[nH]2)c1C ZINC001327210253 972502728 /nfs/dbraw/zinc/50/27/28/972502728.db2.gz OADBHGUOTJUFLW-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN Cc1ccc2nc(-c3ccncn3)[nH]c2c1 ZINC000397026781 960438958 /nfs/dbraw/zinc/43/89/58/960438958.db2.gz VPPADRIVKHUJBX-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cc(CN2CCC[C@H]2c2cnccn2)c[nH]1 ZINC001140707555 960521661 /nfs/dbraw/zinc/52/16/61/960521661.db2.gz RNRZUHQFNVDSGT-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1ncccc1CN(C)Cc1cc[nH]c1 ZINC001140708187 960522068 /nfs/dbraw/zinc/52/20/68/960522068.db2.gz SGIAOOILXUPQDF-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN O=c1cc(CC2CCCC2)[nH]n1-c1ncc[nH]1 ZINC001245932098 1169779009 /nfs/dbraw/zinc/77/90/09/1169779009.db2.gz OPFDKNOSOGMWRW-UHFFFAOYSA-N 0 1 232.287 2.034 20 0 BEADMN CC(C)Cc1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001245932249 1169779158 /nfs/dbraw/zinc/77/91/58/1169779158.db2.gz KQZMLMHTIYBCSX-UHFFFAOYSA-N 0 1 231.299 2.231 20 0 BEADMN CCN(Cc1cc(C)[nH]n1)Cc1ccncc1 ZINC001203066481 960571505 /nfs/dbraw/zinc/57/15/05/960571505.db2.gz FOGRFCCKHSWBHC-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN c1oc2ccccc2c1CN1CC2(COC2)C1 ZINC001140782776 960571777 /nfs/dbraw/zinc/57/17/77/960571777.db2.gz VFPWASMDYYYYPA-UHFFFAOYSA-N 0 1 229.279 2.265 20 0 BEADMN CC(C)(O)CC=Nc1c(F)cnc(F)c1F ZINC001203210131 960575404 /nfs/dbraw/zinc/57/54/04/960575404.db2.gz XMZVOOMQZIFOJP-ONEGZZNKSA-N 0 1 232.205 2.195 20 0 BEADMN Nc1ccnc(-c2cnn(C3CCC3)c2)c1 ZINC000724345205 960597187 /nfs/dbraw/zinc/59/71/87/960597187.db2.gz NDQGXCKGVXQTJK-UHFFFAOYSA-N 0 1 214.272 2.252 20 0 BEADMN CN(Cc1c[nH]c2ccncc12)CC(F)F ZINC001140806726 960601400 /nfs/dbraw/zinc/60/14/00/960601400.db2.gz PBNXLRYFJPXZOG-UHFFFAOYSA-N 0 1 225.242 2.260 20 0 BEADMN CCCOC1CN(Cc2c[nH]c3ccncc23)C1 ZINC001140806444 960607205 /nfs/dbraw/zinc/60/72/05/960607205.db2.gz HURXBZWNZNXZOW-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1c[nH]c(CN2CCSCC2)c1C ZINC001140858848 960637104 /nfs/dbraw/zinc/63/71/04/960637104.db2.gz PTWZLLWTIQVRBD-UHFFFAOYSA-N 0 1 210.346 2.180 20 0 BEADMN Cc1cc(CN2CC[C@@H](F)C(F)(F)CC2)n[nH]1 ZINC001203070123 960622431 /nfs/dbraw/zinc/62/24/31/960622431.db2.gz HZXGQGBERRBABF-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Nc1cccc(F)c1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140875105 960663266 /nfs/dbraw/zinc/66/32/66/960663266.db2.gz WJLIWHJIYUYSDS-HOTUBEGUSA-N 0 1 238.281 2.340 20 0 BEADMN COc1ccc(CN2C[C@@H](F)C[C@H]2C)cc1N ZINC001140894816 960678983 /nfs/dbraw/zinc/67/89/83/960678983.db2.gz QDJNGMHQRTXOHT-KOLCDFICSA-N 0 1 238.306 2.210 20 0 BEADMN COCC[C@@H]1CCCC[N@H+]1Cc1cnco1 ZINC001140931590 960692967 /nfs/dbraw/zinc/69/29/67/960692967.db2.gz MBSNDGABHQMIPF-NSHDSACASA-N 0 1 224.304 2.066 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC001140928432 960704451 /nfs/dbraw/zinc/70/44/51/960704451.db2.gz MROHCOFSJQUQAR-WDEREUQCSA-N 0 1 206.289 2.297 20 0 BEADMN CN(CCc1ccccc1F)Cc1cnco1 ZINC001140933564 960713773 /nfs/dbraw/zinc/71/37/73/960713773.db2.gz YDCGTIFSCTZOIJ-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN c1ncc(CN2CCC3(CCCOC3)CC2)o1 ZINC001140934050 960717685 /nfs/dbraw/zinc/71/76/85/960717685.db2.gz RISDWMHYZZCYAI-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN CCCOC1CCN(Cc2nccnc2C)CC1 ZINC001140937518 960724684 /nfs/dbraw/zinc/72/46/84/960724684.db2.gz KFHABTYTTISYCW-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](F)CC2)o1 ZINC001140944213 960737768 /nfs/dbraw/zinc/73/77/68/960737768.db2.gz VHMNWGZITHQFOA-VIFPVBQESA-N 0 1 241.262 2.302 20 0 BEADMN Cc1cc(CN(Cc2ccco2)C2CC2)n[nH]1 ZINC001203081641 960761954 /nfs/dbraw/zinc/76/19/54/960761954.db2.gz DIVQWSLSFYTOHE-UHFFFAOYSA-N 0 1 231.299 2.476 20 0 BEADMN CC[N@@H+](CC(=O)[O-])CC(C)(C)c1ccccc1 ZINC000686652183 960763780 /nfs/dbraw/zinc/76/37/80/960763780.db2.gz IXOVVVZKJGYMMB-UHFFFAOYSA-N 0 1 235.327 2.371 20 0 BEADMN CC1(C)CN(Cc2cn[nH]c2)CCC1(F)F ZINC001203085791 960800825 /nfs/dbraw/zinc/80/08/25/960800825.db2.gz DAVHLFBKPQKLBW-UHFFFAOYSA-N 0 1 229.274 2.277 20 0 BEADMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ncco1 ZINC001141007578 960809661 /nfs/dbraw/zinc/80/96/61/960809661.db2.gz RYTWMWMDDNLYLH-JTQLQIEISA-N 0 1 224.304 2.064 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1ncco1 ZINC001141007578 960809666 /nfs/dbraw/zinc/80/96/66/960809666.db2.gz RYTWMWMDDNLYLH-JTQLQIEISA-N 0 1 224.304 2.064 20 0 BEADMN CCN(CCn1cccn1)Cc1cnccc1C ZINC001141036286 960825077 /nfs/dbraw/zinc/82/50/77/960825077.db2.gz RETYIARMXFDOCQ-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN Cc1ccncc1CN1CC(c2cccnc2)C1 ZINC001141036295 960825469 /nfs/dbraw/zinc/82/54/69/960825469.db2.gz RUAFUIKZHJJBRW-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN CC1(C)CN(Cc2ccn3ccnc3c2)C1 ZINC001141042360 960829207 /nfs/dbraw/zinc/82/92/07/960829207.db2.gz NTSAJQYGILRLJY-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCCCc1nc(CN2CCCC2)c[nH]1 ZINC001141066520 960853182 /nfs/dbraw/zinc/85/31/82/960853182.db2.gz HNEBDEJBOKYCLI-UHFFFAOYSA-N 0 1 207.321 2.348 20 0 BEADMN CCCCc1ncc(CN2CCC(=O)[C@H](C)C2)[nH]1 ZINC001141068004 960859315 /nfs/dbraw/zinc/85/93/15/960859315.db2.gz VJWBXMIVJKNIRK-LLVKDONJSA-N 0 1 249.358 2.163 20 0 BEADMN COc1c(F)cccc1CN(C)C1CC1 ZINC001143521736 960896881 /nfs/dbraw/zinc/89/68/81/960896881.db2.gz GFIBBJYBPFRZST-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN COc1c(F)cccc1CN1CC[C@@H](OC)C1 ZINC001143522437 960907182 /nfs/dbraw/zinc/90/71/82/960907182.db2.gz WFHQRAOZYKXLFP-LLVKDONJSA-N 0 1 239.290 2.055 20 0 BEADMN C(O[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nn[nH]n1 ZINC001223027478 960956726 /nfs/dbraw/zinc/95/67/26/960956726.db2.gz POCBWXHPMBETOZ-GMTAPVOTSA-N 0 1 236.319 2.075 20 0 BEADMN C[C@H](OCc1nn[nH]n1)c1ccc(Cl)cc1 ZINC001223030399 960977598 /nfs/dbraw/zinc/97/75/98/960977598.db2.gz WTDHLFPHJSYIRP-ZETCQYMHSA-N 0 1 238.678 2.131 20 0 BEADMN CCc1ccccc1CN1CC(CC(=O)OC)C1 ZINC001141226461 960980885 /nfs/dbraw/zinc/98/08/85/960980885.db2.gz BNYIGMJRWRHLJD-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN CCc1ccccc1CN(C)C1(C)COC1 ZINC001141227660 960998854 /nfs/dbraw/zinc/99/88/54/960998854.db2.gz CSVFOBZCMBQDQF-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN Cc1ccnc(NC2(CO)CCCC2)c1C ZINC001167801885 961027583 /nfs/dbraw/zinc/02/75/83/961027583.db2.gz KLNYSVKNCOWGJM-UHFFFAOYSA-N 0 1 220.316 2.415 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccc(N(C)C)c1 ZINC001141272556 961033476 /nfs/dbraw/zinc/03/34/76/961033476.db2.gz UNHSCASLSGOOLU-HNNXBMFYSA-N 0 1 246.354 2.306 20 0 BEADMN Cc1ccc(C)c(NC2(CO)CCCC2)n1 ZINC001167802659 961035996 /nfs/dbraw/zinc/03/59/96/961035996.db2.gz WIIJEGAVBYTILV-UHFFFAOYSA-N 0 1 220.316 2.415 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cn2c(n1)COCC2 ZINC001141525818 961093839 /nfs/dbraw/zinc/09/38/39/961093839.db2.gz VOCSWDUQTAJODK-TXEJJXNPSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCCCCN1Cc1cn2c(n1)COCC2 ZINC001141532675 961102264 /nfs/dbraw/zinc/10/22/64/961102264.db2.gz DCLITZKSZPOUQU-GFCCVEGCSA-N 0 1 249.358 2.178 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC001141579832 961122758 /nfs/dbraw/zinc/12/27/58/961122758.db2.gz SMRGGEFJNMNXFF-CMPLNLGQSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCC[C@@H](C)C2)n[nH]1 ZINC001141579835 961123248 /nfs/dbraw/zinc/12/32/48/961123248.db2.gz SMRGGEFJNMNXFF-PWSUYJOCSA-N 0 1 249.358 2.346 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000038953659 961152777 /nfs/dbraw/zinc/15/27/77/961152777.db2.gz MOYNEDJSNLVSOR-LBPRGKRZSA-N 0 1 234.299 2.083 20 0 BEADMN CC/C=C(\F)C(=O)NCc1ccc2cncn2c1 ZINC001141947654 961176980 /nfs/dbraw/zinc/17/69/80/961176980.db2.gz DZMYFQLYLIMJCG-BASWHVEKSA-N 0 1 247.273 2.214 20 0 BEADMN F[C@@H]1CN(Cc2cccc3c2OCO3)C[C@@H]2C[C@@H]21 ZINC001141950494 961185363 /nfs/dbraw/zinc/18/53/63/961185363.db2.gz QLNRFZPTUDJLHA-SDDRHHMPSA-N 0 1 249.285 2.205 20 0 BEADMN F[C@H]1CN(Cc2cccc3c2OCO3)C[C@@H]2C[C@@H]21 ZINC001141950495 961187680 /nfs/dbraw/zinc/18/76/80/961187680.db2.gz QLNRFZPTUDJLHA-SRVKXCTJSA-N 0 1 249.285 2.205 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251237990 961244014 /nfs/dbraw/zinc/24/40/14/961244014.db2.gz SHKOKZAEDCGNCV-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251765933 961257332 /nfs/dbraw/zinc/25/73/32/961257332.db2.gz HYUSKAUFUKEKET-LPEHRKFASA-N 0 1 201.310 2.074 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251716484 961257500 /nfs/dbraw/zinc/25/75/00/961257500.db2.gz DPRXKDYEAOEIRF-GARJFASQSA-N 0 1 245.388 2.313 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000252461326 961271515 /nfs/dbraw/zinc/27/15/15/961271515.db2.gz CHNRUCXFGNPJOT-RHJQIECPSA-N 0 1 211.305 2.138 20 0 BEADMN N=CNc1ccc2c3c(ccnc13)CCO2 ZINC001167868181 961360205 /nfs/dbraw/zinc/36/02/05/961360205.db2.gz TUYNLMNEDQSLRY-UHFFFAOYSA-N 0 1 213.240 2.189 20 0 BEADMN COCOCCc1nc2c(cc(F)cc2C)[nH]1 ZINC001250591648 1169788188 /nfs/dbraw/zinc/78/81/88/1169788188.db2.gz UWQLJILFRLIHIX-UHFFFAOYSA-N 0 1 238.262 2.173 20 0 BEADMN CC[C@H](C)N(C)Cc1cnc(Cl)nc1NC ZINC001142482361 961456315 /nfs/dbraw/zinc/45/63/15/961456315.db2.gz FRSOSKDNCLDSAW-QMMMGPOBSA-N 0 1 242.754 2.402 20 0 BEADMN Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3C[C@H]3C1)C(=O)N2 ZINC001167891302 961492422 /nfs/dbraw/zinc/49/24/22/961492422.db2.gz MBCXZAQKLQCNGG-OXIWPEFWSA-N 0 1 242.322 2.376 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C3=COCC3)ccc12 ZINC001142557170 961494509 /nfs/dbraw/zinc/49/45/09/961494509.db2.gz CHLLAKZGCOZMBJ-UHFFFAOYSA-N 0 1 243.266 2.114 20 0 BEADMN Cc1cccc2nc(NC(=O)C3CC3)[nH]c21 ZINC001142674066 961599293 /nfs/dbraw/zinc/59/92/93/961599293.db2.gz CQHNNEGMPAWPGN-UHFFFAOYSA-N 0 1 215.256 2.220 20 0 BEADMN CC[C@@H]1COCCN1Cc1cccc2[nH]cnc21 ZINC001142689902 961622858 /nfs/dbraw/zinc/62/28/58/961622858.db2.gz NKZBCVYYFMGKQF-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cnc(CN2CC[C@@H](O)[C@@H](C)CC2)s1 ZINC001139808652 961665022 /nfs/dbraw/zinc/66/50/22/961665022.db2.gz AMJJTMPTNHWGMX-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1ccnc(N)n1 ZINC000087836941 961759949 /nfs/dbraw/zinc/75/99/49/961759949.db2.gz PMIBHKYHKCJEMI-RKDXNWHRSA-N 0 1 208.309 2.295 20 0 BEADMN CC1(C)CN(Cc2cccc3nonc32)C1 ZINC001203124892 961803091 /nfs/dbraw/zinc/80/30/91/961803091.db2.gz ZRBDDWZEVWVUDA-UHFFFAOYSA-N 0 1 217.272 2.065 20 0 BEADMN C[C@@H]1CN(Cc2ccnc3[nH]ccc32)C[C@@H](C)O1 ZINC001142866811 961808186 /nfs/dbraw/zinc/80/81/86/961808186.db2.gz PAHPPYGKWIVIKO-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2cccc3n[nH]cc32)[C@@H](C)CO1 ZINC001143101558 961879609 /nfs/dbraw/zinc/87/96/09/961879609.db2.gz HVGCUQBXQYLFQK-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN COc1cc(C)cc(CN2CC3(C2)CCOC3)c1 ZINC001143150928 961890138 /nfs/dbraw/zinc/89/01/38/961890138.db2.gz YSBPZVUIKKRCFB-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CCOc1cc(F)c(F)cc1-n1cncc1N ZINC001211798854 961894520 /nfs/dbraw/zinc/89/45/20/961894520.db2.gz KLHCJPOKZPYTMK-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN COc1ccc(O[C@@H]2CCN(C)C2)c(Cl)c1 ZINC001225345457 962087867 /nfs/dbraw/zinc/08/78/67/962087867.db2.gz WXKNBSWILCVNJI-SNVBAGLBSA-N 0 1 241.718 2.432 20 0 BEADMN Clc1ncc2c(n1)CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167938158 962130758 /nfs/dbraw/zinc/13/07/58/962130758.db2.gz BYOWIWCVAKRDOO-DOFRTFSJSA-N 0 1 249.745 2.287 20 0 BEADMN Clc1ncc2c(n1)CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167938160 962130928 /nfs/dbraw/zinc/13/09/28/962130928.db2.gz BYOWIWCVAKRDOO-JZYVYDRUSA-N 0 1 249.745 2.287 20 0 BEADMN CC[C@@H](F)CN(CC)[C@H](C)CNC(=O)C(C)C ZINC001151992555 962366042 /nfs/dbraw/zinc/36/60/42/962366042.db2.gz XRCWDBRIFMZYPG-VXGBXAGGSA-N 0 1 246.370 2.217 20 0 BEADMN CC/C(C)=C\C(=O)NC[C@@H](C)N(CC)CCF ZINC001153186950 962543168 /nfs/dbraw/zinc/54/31/68/962543168.db2.gz HXTWLGNUXFHMNH-UCQJPZFISA-N 0 1 244.354 2.139 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(C)ccc1O ZINC001153456138 962586446 /nfs/dbraw/zinc/58/64/46/962586446.db2.gz UEIFXKNVPBKCOK-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN FCC1CCN(Cc2ccc(F)nc2)CC1 ZINC001137741002 962707958 /nfs/dbraw/zinc/70/79/58/962707958.db2.gz KNWYNXOMVZZLIB-UHFFFAOYSA-N 0 1 226.270 2.402 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049956496 962721741 /nfs/dbraw/zinc/72/17/41/962721741.db2.gz AUBSQOORIOZNJT-SDDRHHMPSA-N 0 1 225.332 2.060 20 0 BEADMN c1ccc([C@H]2CN([C@@H]3C[C@H]4C[C@H]4C3)CCO2)nc1 ZINC001167953960 962744941 /nfs/dbraw/zinc/74/49/41/962744941.db2.gz YGHHJERYCFVQSF-QVHKTLOISA-N 0 1 244.338 2.253 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@@H]2C=CCC2)cc1 ZINC000711736724 962756784 /nfs/dbraw/zinc/75/67/84/962756784.db2.gz MFDXFHOADUXWFD-OCCSQVGLSA-N 0 1 244.338 2.077 20 0 BEADMN Cc1ccnc(CNc2ccc(C)c(C)n2)n1 ZINC001154816623 962855593 /nfs/dbraw/zinc/85/55/93/962855593.db2.gz GKPNVCFLCBCKAJ-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN Cc1cnc(NC[C@@H](O)c2ccco2)c(C)c1 ZINC001154875701 962879252 /nfs/dbraw/zinc/87/92/52/962879252.db2.gz ROZOZEDOXOJPBL-LLVKDONJSA-N 0 1 232.283 2.437 20 0 BEADMN Cc1oncc1CNc1ccc2c(n1)CCC2 ZINC001154883942 962884260 /nfs/dbraw/zinc/88/42/60/962884260.db2.gz HSBYRACKGWTFIF-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN C[C@@H]1CCN(Cc2cncn2C)CCC1(F)F ZINC001204383589 962907956 /nfs/dbraw/zinc/90/79/56/962907956.db2.gz JRLXAOVGNWIWID-SNVBAGLBSA-N 0 1 243.301 2.287 20 0 BEADMN Cc1ncoc1CN[C@@H]1CCC(F)(F)C1 ZINC000894351128 962943641 /nfs/dbraw/zinc/94/36/41/962943641.db2.gz XJZCTXRRJLZOHE-MRVPVSSYSA-N 0 1 216.231 2.260 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)c1cccnc1 ZINC001225995825 962964180 /nfs/dbraw/zinc/96/41/80/962964180.db2.gz IXMUILLVDNBYFH-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN Cc1ncoc1CN[C@H](C)CC(F)(F)F ZINC000894473871 963049014 /nfs/dbraw/zinc/04/90/14/963049014.db2.gz ITVMREALUKSVCZ-ZCFIWIBFSA-N 0 1 222.210 2.414 20 0 BEADMN CC[C@H](C)[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000302673982 963064307 /nfs/dbraw/zinc/06/43/07/963064307.db2.gz MRXFOEUXNOAINS-OFTGVCEQSA-N 0 1 239.359 2.352 20 0 BEADMN Cc1cccc(CN2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206655344 963078847 /nfs/dbraw/zinc/07/88/47/963078847.db2.gz HKOSVVHMETXUMG-LBPRGKRZSA-N 0 1 240.297 2.163 20 0 BEADMN Cc1ccc(F)c(N[C@H]2CN3CCC2CC3)n1 ZINC001155662463 963149339 /nfs/dbraw/zinc/14/93/39/963149339.db2.gz FEVCZEIADIGBHB-LBPRGKRZSA-N 0 1 235.306 2.035 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307823085 963229846 /nfs/dbraw/zinc/22/98/46/963229846.db2.gz SGEHWNZJBPRSCD-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307823084 963230644 /nfs/dbraw/zinc/23/06/44/963230644.db2.gz SGEHWNZJBPRSCD-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)Nc1cc(O[C@H]2CCOC2)ccn1 ZINC001168004239 963248198 /nfs/dbraw/zinc/24/81/98/963248198.db2.gz VDSFNVRWVAGBSD-JQWIXIFHSA-N 0 1 236.315 2.460 20 0 BEADMN CCOc1ccnc(NC[C@@H]2CCCCO2)c1 ZINC001156372874 963326165 /nfs/dbraw/zinc/32/61/65/963326165.db2.gz SSEGARDCTGSLGJ-LBPRGKRZSA-N 0 1 236.315 2.461 20 0 BEADMN CCOc1ccnc(NC[C@H]2CCCCO2)c1 ZINC001156372873 963326919 /nfs/dbraw/zinc/32/69/19/963326919.db2.gz SSEGARDCTGSLGJ-GFCCVEGCSA-N 0 1 236.315 2.461 20 0 BEADMN Cc1cnc(NCc2cncnc2)cc1C ZINC001156573737 963388411 /nfs/dbraw/zinc/38/84/11/963388411.db2.gz SKOZEKBFKYBEIC-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN CC(C)Oc1ccnc(NCc2cccnn2)c1 ZINC001156606233 963405304 /nfs/dbraw/zinc/40/53/04/963405304.db2.gz ZZFOFLCRRJNBSS-UHFFFAOYSA-N 0 1 244.298 2.271 20 0 BEADMN CC1(C)OC[C@H](COc2ccc3nc[nH]c3c2)O1 ZINC001226928456 963406636 /nfs/dbraw/zinc/40/66/36/963406636.db2.gz LBCQPNCWJPBNDG-JTQLQIEISA-N 0 1 248.282 2.093 20 0 BEADMN Cc1cnc(NC2(C3CCOCC3)CC2)c(N)c1 ZINC001156919283 963495684 /nfs/dbraw/zinc/49/56/84/963495684.db2.gz CRFHQGLLVMOJAU-UHFFFAOYSA-N 0 1 247.342 2.343 20 0 BEADMN CC[C@H](C)Nc1nc(C)cc(N(C)CC)n1 ZINC001157230480 963557440 /nfs/dbraw/zinc/55/74/40/963557440.db2.gz FKMDFAWWNREOEH-VIFPVBQESA-N 0 1 222.336 2.452 20 0 BEADMN C[C@H]1C[C@H](NC2(c3ccccc3)COC2)CCO1 ZINC001168080377 963624055 /nfs/dbraw/zinc/62/40/55/963624055.db2.gz UXXYMHZARVHUML-GXTWGEPZSA-N 0 1 247.338 2.069 20 0 BEADMN C[C@@]1(O)C[C@H](CNc2ccc3c(n2)CCC3)C1 ZINC001157554736 963660084 /nfs/dbraw/zinc/66/00/84/963660084.db2.gz TULNOMSDDOHGJY-WJONMLJTSA-N 0 1 232.327 2.143 20 0 BEADMN CC(F)(F)C(C)(C)CNCc1cocn1 ZINC000697135991 963745407 /nfs/dbraw/zinc/74/54/07/963745407.db2.gz PSXLSJZQTRZCOP-UHFFFAOYSA-N 0 1 218.247 2.446 20 0 BEADMN C[C@H]1C[C@@H](N2CC(Oc3ccccc3)C2)CCO1 ZINC001168128781 963805843 /nfs/dbraw/zinc/80/58/43/963805843.db2.gz UKFUJVLUXNMFJA-STQMWFEESA-N 0 1 247.338 2.317 20 0 BEADMN CCCNc1cnc(N2CCOCC2)cc1C ZINC001168132548 963822827 /nfs/dbraw/zinc/82/28/27/963822827.db2.gz RBANEAHXQYXHAL-UHFFFAOYSA-N 0 1 235.331 2.049 20 0 BEADMN C[C@@H](Oc1nc(=O)[nH]cc1Cl)C1CC1 ZINC001228479158 963822990 /nfs/dbraw/zinc/82/29/90/963822990.db2.gz AVHJNKNJWNANLV-RXMQYKEDSA-N 0 1 214.652 2.013 20 0 BEADMN Cc1cc2ccccc2c(NCC2OCCO2)n1 ZINC001158201526 963830534 /nfs/dbraw/zinc/83/05/34/963830534.db2.gz RYVJWGNOYFBYAO-UHFFFAOYSA-N 0 1 244.294 2.328 20 0 BEADMN COc1ccnc(NCc2ncccc2OC)c1 ZINC001158320690 963846350 /nfs/dbraw/zinc/84/63/50/963846350.db2.gz HNNPSHUAMZOIJA-UHFFFAOYSA-N 0 1 245.282 2.106 20 0 BEADMN O=C(NC/C=C/Cl)c1cccc2nc[nH]c21 ZINC001158553015 963886622 /nfs/dbraw/zinc/88/66/22/963886622.db2.gz UBEPASNGNFUZKM-GORDUTHDSA-N 0 1 235.674 2.045 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)OCC2 ZINC001206668559 964006874 /nfs/dbraw/zinc/00/68/74/964006874.db2.gz ZAHFEPSQKTZDGA-UHFFFAOYSA-N 0 1 215.256 2.099 20 0 BEADMN CC[C@@H](Oc1[nH]c(=O)[nH]c(=O)c1F)C(C)(C)C ZINC001229124702 964053734 /nfs/dbraw/zinc/05/37/34/964053734.db2.gz NUYDKYIKJAABQA-ZCFIWIBFSA-N 0 1 244.266 2.230 20 0 BEADMN CC[C@H](Oc1[nH]c(=O)[nH]c(=O)c1F)C(C)(C)C ZINC001229124696 964053776 /nfs/dbraw/zinc/05/37/76/964053776.db2.gz NUYDKYIKJAABQA-LURJTMIESA-N 0 1 244.266 2.230 20 0 BEADMN Cc1nc(CN[C@@H](C)Cc2ccncc2)c(C)o1 ZINC001256715681 1169834514 /nfs/dbraw/zinc/83/45/14/1169834514.db2.gz GIDRHRQWSWXIBR-JTQLQIEISA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H](C)OC[C@H]1C ZINC001256747502 1169836721 /nfs/dbraw/zinc/83/67/21/1169836721.db2.gz GZVSJIUVXOKHIG-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN Cc1ccc([C@H](O)CN2CC[C@H](F)C2)cc1 ZINC000689813247 964247533 /nfs/dbraw/zinc/24/75/33/964247533.db2.gz CYTCZIGHUCUVOS-QWHCGFSZSA-N 0 1 223.291 2.072 20 0 BEADMN Cc1ccc([C@H](O)CN2CC[C@@H](F)C2)cc1 ZINC000689813245 964247671 /nfs/dbraw/zinc/24/76/71/964247671.db2.gz CYTCZIGHUCUVOS-CHWSQXEVSA-N 0 1 223.291 2.072 20 0 BEADMN Cc1cnc(NCC[C@@H](C)CO)cc1C ZINC001160607675 964351054 /nfs/dbraw/zinc/35/10/54/964351054.db2.gz DVHLIGBUGJGZOI-SECBINFHSA-N 0 1 208.305 2.129 20 0 BEADMN CCC1CCC(N2CCn3nncc3C2)CC1 ZINC001256874772 1169840239 /nfs/dbraw/zinc/84/02/39/1169840239.db2.gz ICGXXGZUVLEKIP-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN Cc1cccc2nc(CCC(=O)NC3CC3)[nH]c21 ZINC000174909155 964392280 /nfs/dbraw/zinc/39/22/80/964392280.db2.gz FNNKRDUYLDDROL-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CC(C)N1CC(Nc2nccc3cc[nH]c32)C1 ZINC001168313973 964418425 /nfs/dbraw/zinc/41/84/25/964418425.db2.gz HXZUGUQPGQUDOC-UHFFFAOYSA-N 0 1 230.315 2.067 20 0 BEADMN CC(C)N1CC(Nc2cnc3cc[nH]c3c2)C1 ZINC001168315637 964418940 /nfs/dbraw/zinc/41/89/40/964418940.db2.gz UWDSWNZXTHTFEM-UHFFFAOYSA-N 0 1 230.315 2.067 20 0 BEADMN CC(C)N1CC(Nc2ccc3c(c2)CCOC3)C1 ZINC001168315807 964419471 /nfs/dbraw/zinc/41/94/71/964419471.db2.gz XOBDBAJDEKXKMP-UHFFFAOYSA-N 0 1 246.354 2.264 20 0 BEADMN Nc1cc(C2CC2)nn1-c1cccc2nc[nH]c21 ZINC001213027224 964436192 /nfs/dbraw/zinc/43/61/92/964436192.db2.gz PJCFNBBAHFDMAP-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN OCc1cc(Nc2cccc3[nH]cnc32)ccn1 ZINC001213028423 964486760 /nfs/dbraw/zinc/48/67/60/964486760.db2.gz PJEFTIQAOVNQPW-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN CCC(=O)N1CC[C@H](Nc2ncc(C)cc2C)C1 ZINC001161108088 964525060 /nfs/dbraw/zinc/52/50/60/964525060.db2.gz SJVGWYYDXKKYGF-LBPRGKRZSA-N 0 1 247.342 2.121 20 0 BEADMN Nc1ccc2cnn(-c3cccc4nc[nH]c43)c2c1 ZINC001213030413 964545394 /nfs/dbraw/zinc/54/53/94/964545394.db2.gz AKHCXFKBXBYOJD-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1ccc2cn(-c3cccc4nc[nH]c43)nc2c1 ZINC001213030700 964548184 /nfs/dbraw/zinc/54/81/84/964548184.db2.gz NAJQGDDPDJAAMU-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN C=COc1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC001161302431 964564961 /nfs/dbraw/zinc/56/49/61/964564961.db2.gz AWKDCRGYGKJSGA-UHFFFAOYSA-N 0 1 243.266 2.493 20 0 BEADMN Cc1nocc1NC(=O)c1ccc(F)cc1O ZINC001161572925 964645282 /nfs/dbraw/zinc/64/52/82/964645282.db2.gz ILXCFUGKDCWPSI-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H](C)OC[C@@H]1C ZINC001256753121 1169845576 /nfs/dbraw/zinc/84/55/76/1169845576.db2.gz GZVSJIUVXOKHIG-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN Nc1ccnc(C2(C(F)(F)F)CC2)c1 ZINC001161700150 964700594 /nfs/dbraw/zinc/70/05/94/964700594.db2.gz JKNLEHPVZDHZNS-UHFFFAOYSA-N 0 1 202.179 2.258 20 0 BEADMN Cc1nnc(CNc2cc(C)c(C)cn2)o1 ZINC001161712974 964704096 /nfs/dbraw/zinc/70/40/96/964704096.db2.gz GBSHTNRKSYCZQK-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN O=C([C@H]1CC2CCN1CC2)N1CCC12CCCC2 ZINC001142629918 964718529 /nfs/dbraw/zinc/71/85/29/964718529.db2.gz YBVYFTLAXKQKHO-CYBMUJFWSA-N 0 1 248.370 2.016 20 0 BEADMN Cc1cnc(NCCc2nncs2)c(C)c1 ZINC001161729827 964719064 /nfs/dbraw/zinc/71/90/64/964719064.db2.gz XZQXSEJCXKZEHE-UHFFFAOYSA-N 0 1 234.328 2.205 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)cc(F)c1F ZINC001143607884 964736499 /nfs/dbraw/zinc/73/64/99/964736499.db2.gz ZIMNPJRXIUVHFM-LLVKDONJSA-N 0 1 241.281 2.494 20 0 BEADMN CCC(=O)Nc1cc(NCC(F)F)ccn1 ZINC001161817329 964770998 /nfs/dbraw/zinc/77/09/98/964770998.db2.gz KIEUDXQDXAQTEP-UHFFFAOYSA-N 0 1 229.230 2.107 20 0 BEADMN FC(F)(F)CCNc1cccc2[nH]nnc21 ZINC001161825093 964774922 /nfs/dbraw/zinc/77/49/22/964774922.db2.gz BFWKPPZCHCGXLC-UHFFFAOYSA-N 0 1 230.193 2.322 20 0 BEADMN Cc1cnc(NC2CCOCC2)c2[nH]ccc21 ZINC001161861614 964795111 /nfs/dbraw/zinc/79/51/11/964795111.db2.gz MCSWCKAURDIYAQ-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN FC(F)Oc1ccnc(NC2CCOCC2)c1 ZINC001161869013 964803118 /nfs/dbraw/zinc/80/31/18/964803118.db2.gz ZWKNZWZYWWZBER-UHFFFAOYSA-N 0 1 244.241 2.274 20 0 BEADMN Cc1cccnc1CNc1ccnc(C)c1F ZINC001161887896 964807943 /nfs/dbraw/zinc/80/79/43/964807943.db2.gz KWGWTLAQTBBKFN-UHFFFAOYSA-N 0 1 231.274 2.267 20 0 BEADMN Cc1cccc([C@H]2CCCN2Cc2c[nH]nn2)c1 ZINC001203195700 964810853 /nfs/dbraw/zinc/81/08/53/964810853.db2.gz KUQCSKQIRSTMET-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cccc([C@@H]2CCCN2Cc2c[nH]nn2)c1 ZINC001203195699 964810934 /nfs/dbraw/zinc/81/09/34/964810934.db2.gz KUQCSKQIRSTMET-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cnc(NCc2nccn2C)c2[nH]ccc21 ZINC001161910201 964816232 /nfs/dbraw/zinc/81/62/32/964816232.db2.gz NXIOYGDQIMYPAA-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CC1(C)CC[C@@H](CNc2ncc3c(n2)CNC3)C1 ZINC001162123056 964848400 /nfs/dbraw/zinc/84/84/00/964848400.db2.gz LFDOASHGWOJUIZ-SNVBAGLBSA-N 0 1 246.358 2.318 20 0 BEADMN Cn1ccc2c1nccc2NC1CC(F)C1 ZINC001162213524 964874193 /nfs/dbraw/zinc/87/41/93/964874193.db2.gz DSQLLFGWBSISFE-UHFFFAOYSA-N 0 1 219.263 2.486 20 0 BEADMN CC(C)(C)N1CC(Nc2cncc(Cl)n2)C1 ZINC001162220013 964880643 /nfs/dbraw/zinc/88/06/43/964880643.db2.gz FPAPNELYEGKUJH-UHFFFAOYSA-N 0 1 240.738 2.025 20 0 BEADMN CCCC[C@H](Nc1ccc(C)c(C)n1)C(N)=O ZINC001162279695 964906137 /nfs/dbraw/zinc/90/61/37/964906137.db2.gz SUDZUMUTODCFHA-NSHDSACASA-N 0 1 235.331 2.154 20 0 BEADMN CN1CCC[C@](C)(Nc2cncnc2Cl)C1 ZINC001162342220 964939829 /nfs/dbraw/zinc/93/98/29/964939829.db2.gz RVSZCYGXZOJEPB-NSHDSACASA-N 0 1 240.738 2.026 20 0 BEADMN Cc1cnc(NC[C@@H](F)C(C)(C)O)c(C)c1 ZINC001162411728 964969891 /nfs/dbraw/zinc/96/98/91/964969891.db2.gz KPEPSKDYPKUBGQ-SNVBAGLBSA-N 0 1 226.295 2.219 20 0 BEADMN CC(C)(Nc1ccc2c(n1)NCCO2)C1CC1 ZINC001162521934 965018624 /nfs/dbraw/zinc/01/86/24/965018624.db2.gz CITCHJNCNMMXKU-UHFFFAOYSA-N 0 1 233.315 2.486 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1cnc(CN)nc1 ZINC001162527972 965029560 /nfs/dbraw/zinc/02/95/60/965029560.db2.gz ZTYGEMJGGBPTKJ-WDEREUQCSA-N 0 1 234.347 2.174 20 0 BEADMN CCOc1ccnc(N[C@H]2CCC[C@H]2CO)c1 ZINC001162603633 965075021 /nfs/dbraw/zinc/07/50/21/965075021.db2.gz YLSBZZRPTMPXIX-JQWIXIFHSA-N 0 1 236.315 2.053 20 0 BEADMN Cc1cnc(N[C@H]2CCC[C@H]2CO)cc1C ZINC001162607561 965076402 /nfs/dbraw/zinc/07/64/02/965076402.db2.gz AKQOMNCGWIJUGY-RYUDHWBXSA-N 0 1 220.316 2.271 20 0 BEADMN O=C1CC(CNc2cc(OCC3CC3)ccn2)C1 ZINC001168391951 965122438 /nfs/dbraw/zinc/12/24/38/965122438.db2.gz FKHLSABCXUICEK-UHFFFAOYSA-N 0 1 246.310 2.261 20 0 BEADMN Cc1ncc(CNc2ccc3nc[nH]c3c2)cn1 ZINC001168391975 965125182 /nfs/dbraw/zinc/12/51/82/965125182.db2.gz SRZYQRSOFJRHCP-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCC(CC)NCc1nccnc1Cl ZINC001257285576 1169860509 /nfs/dbraw/zinc/86/05/09/1169860509.db2.gz NNAUXFUSLGKWLU-UHFFFAOYSA-N 0 1 213.712 2.408 20 0 BEADMN Cc1cnccc1CNc1cccc2[nH]nnc21 ZINC001162721780 965149690 /nfs/dbraw/zinc/14/96/90/965149690.db2.gz IXKDKPHFKVPZEY-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Fc1ccc2c(c1)CC[C@H](NCc1ncco1)C2 ZINC001168396724 965155945 /nfs/dbraw/zinc/15/59/45/965155945.db2.gz IEBVHFWYZNLPTH-ZDUSSCGKSA-N 0 1 246.285 2.461 20 0 BEADMN Fc1ccc2c(c1)CC[C@H](NCc1ccon1)C2 ZINC001168402080 965230801 /nfs/dbraw/zinc/23/08/01/965230801.db2.gz XZVJNBZJEXDNOO-ZDUSSCGKSA-N 0 1 246.285 2.461 20 0 BEADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)C1(C)CC1 ZINC001120805756 965418832 /nfs/dbraw/zinc/41/88/32/965418832.db2.gz MPOSOHKLSQSTJE-VIFPVBQESA-N 0 1 243.310 2.481 20 0 BEADMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1(C)CC1 ZINC001120805753 965422657 /nfs/dbraw/zinc/42/26/57/965422657.db2.gz MPOSOHKLSQSTJE-SECBINFHSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@H]1CN([C@@H]2CCc3cc(F)ccc3C2)CCO1 ZINC001168430326 965475616 /nfs/dbraw/zinc/47/56/16/965475616.db2.gz YJTJEHUTTCESRX-XHDPSFHLSA-N 0 1 249.329 2.404 20 0 BEADMN Cc1ncn(-c2ccn(C(C)C)c2)c1N ZINC001203165067 965494217 /nfs/dbraw/zinc/49/42/17/965494217.db2.gz ZGTXNKHZBHMUMG-UHFFFAOYSA-N 0 1 204.277 2.145 20 0 BEADMN CCN(CC1CC1)[C@@H](C)c1ncccn1 ZINC000929623332 965520466 /nfs/dbraw/zinc/52/04/66/965520466.db2.gz ACJZKDLZUDJFTJ-JTQLQIEISA-N 0 1 205.305 2.270 20 0 BEADMN CC(C)C[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CC1 ZINC000232714352 965521671 /nfs/dbraw/zinc/52/16/71/965521671.db2.gz WJMUNZDYDJVWLP-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN CSCCCNc1ccc2nc[nH]c2n1 ZINC001163868749 965608751 /nfs/dbraw/zinc/60/87/51/965608751.db2.gz FSKSVWDXNSYOLO-UHFFFAOYSA-N 0 1 222.317 2.123 20 0 BEADMN Cc1ccc(N2CCCO[C@@H](C)C2)nc1C ZINC001163962240 965661497 /nfs/dbraw/zinc/66/14/97/965661497.db2.gz OVUKRLDAEQRZQW-NSHDSACASA-N 0 1 220.316 2.314 20 0 BEADMN Cc1cc(C)nc(N2CCOCC(F)(F)C2)c1 ZINC001163972618 965670648 /nfs/dbraw/zinc/67/06/48/965670648.db2.gz IBZPWGXPEKTZPQ-UHFFFAOYSA-N 0 1 242.269 2.170 20 0 BEADMN COc1c(F)c(F)ccc1O[C@H]1CCN(C)C1 ZINC001234203051 965702671 /nfs/dbraw/zinc/70/26/71/965702671.db2.gz JIGPMMGTLYNXNC-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(C)c(C)n2)no1 ZINC000316899230 965740498 /nfs/dbraw/zinc/74/04/98/965740498.db2.gz SBLFGIDVMUKNFX-JTQLQIEISA-N 0 1 246.314 2.419 20 0 BEADMN Cc1cnc(N2C[C@@H](F)[C@H](F)C2)cc1C ZINC001164214688 965799475 /nfs/dbraw/zinc/79/94/75/965799475.db2.gz CPPQADGJLCDKPW-NXEZZACHSA-N 0 1 212.243 2.195 20 0 BEADMN CC(C)c1ncc(CNc2cnc(F)cn2)[nH]1 ZINC001164220374 965802108 /nfs/dbraw/zinc/80/21/08/965802108.db2.gz HPVZCNGZJREXGD-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN Cc1n[nH]c(S[C@H](C)OC(=O)OC(C)C)n1 ZINC000176577802 965872910 /nfs/dbraw/zinc/87/29/10/965872910.db2.gz FWPNTCOPGQNESV-SSDOTTSWSA-N 0 1 245.304 2.113 20 0 BEADMN Cc1nc(S[C@H](C)OC(=O)OC(C)C)n[nH]1 ZINC000176577802 965872919 /nfs/dbraw/zinc/87/29/19/965872919.db2.gz FWPNTCOPGQNESV-SSDOTTSWSA-N 0 1 245.304 2.113 20 0 BEADMN CC[N@@H+]1CC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852442 965885486 /nfs/dbraw/zinc/88/54/86/965885486.db2.gz WASGIWWOFZODMH-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852442 965885491 /nfs/dbraw/zinc/88/54/91/965885491.db2.gz WASGIWWOFZODMH-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN CCc1cc(CN(C)CCc2ccncc2)on1 ZINC001203225636 965909616 /nfs/dbraw/zinc/90/96/16/965909616.db2.gz UXZKMNRVROJAEU-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CC(C)Oc1ccnc(N2CC(C)(F)C2)c1 ZINC001164585806 965928711 /nfs/dbraw/zinc/92/87/11/965928711.db2.gz HPFARIVBBHYUSA-UHFFFAOYSA-N 0 1 224.279 2.417 20 0 BEADMN CCN(CC)C(=O)[C@@H](C)Nc1nccc(C)c1C ZINC001164605901 965932993 /nfs/dbraw/zinc/93/29/93/965932993.db2.gz JWBYXMLHSZAPKP-GFCCVEGCSA-N 0 1 249.358 2.367 20 0 BEADMN Brc1cccc(N=C2CCOC2)n1 ZINC001203381366 965936593 /nfs/dbraw/zinc/93/65/93/965936593.db2.gz VRPUKFZPZGRLOK-UHFFFAOYSA-N 0 1 241.088 2.170 20 0 BEADMN CCc1nc(CN[C@H]2COC[C@@H]2CC)cs1 ZINC000699555734 965970761 /nfs/dbraw/zinc/97/07/61/965970761.db2.gz CSEPTHADWGPLAC-ONGXEEELSA-N 0 1 240.372 2.220 20 0 BEADMN Cc1cnc(N2CC[C@@]3(CCOC3)C2)cc1C ZINC001165254406 966012146 /nfs/dbraw/zinc/01/21/46/966012146.db2.gz IQIUXQOWFJBGDH-CQSZACIVSA-N 0 1 232.327 2.315 20 0 BEADMN Cc1nc2cnc(N3CCC34CCCC4)nc2[nH]1 ZINC001165280587 966020933 /nfs/dbraw/zinc/02/09/33/966020933.db2.gz SIYFOYHSESXQKR-UHFFFAOYSA-N 0 1 243.314 2.136 20 0 BEADMN C[C@H]1COC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000699761837 966067656 /nfs/dbraw/zinc/06/76/56/966067656.db2.gz RUZVJTVILBRZGQ-WCBMZHEXSA-N 0 1 241.718 2.170 20 0 BEADMN C[C@H]1COC[C@H]1NCc1cccc(O)c1Cl ZINC000699761837 966067677 /nfs/dbraw/zinc/06/76/77/966067677.db2.gz RUZVJTVILBRZGQ-WCBMZHEXSA-N 0 1 241.718 2.170 20 0 BEADMN C[C@@H](CCO)Nc1cc(OCC2CC2)ccn1 ZINC001165894986 966189818 /nfs/dbraw/zinc/18/98/18/966189818.db2.gz XUAUMAUNBPHPKE-JTQLQIEISA-N 0 1 236.315 2.053 20 0 BEADMN c1nc2ccc(-c3cnc4nonc4c3)cc2[nH]1 ZINC001236017748 966230747 /nfs/dbraw/zinc/23/07/47/966230747.db2.gz GHQRNZZCIRRQIU-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN Cc1cc(CNCC[C@H]2CC2(F)F)no1 ZINC000691572763 966234906 /nfs/dbraw/zinc/23/49/06/966234906.db2.gz YIMQOZKSLMEFOQ-QMMMGPOBSA-N 0 1 216.231 2.118 20 0 BEADMN Cc1cc2ccccc2c(N2CC[C@H](CO)C2)n1 ZINC001166550499 966295228 /nfs/dbraw/zinc/29/52/28/966295228.db2.gz SQUYIYJWTPOBHY-LBPRGKRZSA-N 0 1 242.322 2.362 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C2\CC[C@@H](C)C2)c1C ZINC001123902324 966308696 /nfs/dbraw/zinc/30/86/96/966308696.db2.gz UKZMAEFMJPCUJN-SZJBZFAYSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1cc(C)nc(N2CCC(=O)C[C@@H]2C)c1 ZINC001166933997 966438568 /nfs/dbraw/zinc/43/85/68/966438568.db2.gz WFFUGWFCIXNSDM-NSHDSACASA-N 0 1 218.300 2.256 20 0 BEADMN Cc1nc2ccc(COc3cncnc3)cc2[nH]1 ZINC001166938958 966457752 /nfs/dbraw/zinc/45/77/52/966457752.db2.gz KATHWWOAPLVFEQ-UHFFFAOYSA-N 0 1 240.266 2.240 20 0 BEADMN Cc1nc2ccc(Nc3cncnc3)cc2[nH]1 ZINC001213070437 966479018 /nfs/dbraw/zinc/47/90/18/966479018.db2.gz QESBXLQBGZRDRN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1nc2cc(Nc3cncnc3)ccc2[nH]1 ZINC001213070437 966479015 /nfs/dbraw/zinc/47/90/15/966479015.db2.gz QESBXLQBGZRDRN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCC(=O)N1CCC[C@H]1CN(C)C/C=C/Cl ZINC001485046536 966537649 /nfs/dbraw/zinc/53/76/49/966537649.db2.gz KBHCOODKDYRFMF-ZRQQLDRUSA-N 0 1 244.766 2.072 20 0 BEADMN C[N@@H+](Cc1cnn[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC001203205876 966545824 /nfs/dbraw/zinc/54/58/24/966545824.db2.gz NLVJMWZHXDCENO-UHFFFAOYSA-N 0 1 246.358 2.205 20 0 BEADMN C[N@H+](Cc1c[nH]nn1)C(C)(C)Cc1ccccc1 ZINC001203212724 966559077 /nfs/dbraw/zinc/55/90/77/966559077.db2.gz VYGGTAMWIKGCNA-UHFFFAOYSA-N 0 1 244.342 2.258 20 0 BEADMN CC(C)(O)CC=Nc1nc(F)ccc1F ZINC001203216953 966565930 /nfs/dbraw/zinc/56/59/30/966565930.db2.gz XDDKGBKBISMXAT-AATRIKPKSA-N 0 1 214.215 2.056 20 0 BEADMN Cn1cccc1CN1CCc2cc(O)ccc2C1 ZINC001203257836 966587230 /nfs/dbraw/zinc/58/72/30/966587230.db2.gz NWLCWZNUIVTSQQ-UHFFFAOYSA-N 0 1 242.322 2.289 20 0 BEADMN c1nc(C2CC2)c(NC2=CCOC2)s1 ZINC001203386920 966623727 /nfs/dbraw/zinc/62/37/27/966623727.db2.gz RKHNVXIDKIDYGJ-UHFFFAOYSA-N 0 1 208.286 2.347 20 0 BEADMN FC(F)(F)Oc1ccnc(N=C2CCOC2)c1 ZINC001203386462 966625922 /nfs/dbraw/zinc/62/59/22/966625922.db2.gz LSCIXZRARUBANR-UHFFFAOYSA-N 0 1 246.188 2.306 20 0 BEADMN Cc1ncn(-c2cn(C)c3ccccc23)c1N ZINC001203419228 966639130 /nfs/dbraw/zinc/63/91/30/966639130.db2.gz JLBOXGLFZYNHDH-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN COc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001203438171 966645967 /nfs/dbraw/zinc/64/59/67/966645967.db2.gz WJAYAXIHMPRNGN-ZFWWWQNUSA-N 0 1 247.338 2.306 20 0 BEADMN CCO[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC001203437469 966649785 /nfs/dbraw/zinc/64/97/85/966649785.db2.gz BVAUSJUBQVPPMK-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN CCOCC1CCN(Cc2cncnc2C)CC1 ZINC001238176553 966732898 /nfs/dbraw/zinc/73/28/98/966732898.db2.gz YSJLCCNMIPHFIN-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CO[C@H]1CN(Cc2ccccc2C)C[C@@H]1F ZINC001203700155 966735551 /nfs/dbraw/zinc/73/55/51/966735551.db2.gz IWERFMHZHBWOAH-STQMWFEESA-N 0 1 223.291 2.164 20 0 BEADMN Cn1cncc1Nc1ccc2cncnc2c1 ZINC001203701747 966736578 /nfs/dbraw/zinc/73/65/78/966736578.db2.gz MIMCDSKNTGPXDB-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN CC(=O)N1CCN(Cc2ccccc2C)C[C@H]1C ZINC001203709019 966746333 /nfs/dbraw/zinc/74/63/33/966746333.db2.gz WXIRTKLJQZGLRO-CYBMUJFWSA-N 0 1 246.354 2.048 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C)cc1F ZINC001203790581 966781879 /nfs/dbraw/zinc/78/18/79/966781879.db2.gz KWHXQMLASVLTGJ-VIFPVBQESA-N 0 1 209.264 2.429 20 0 BEADMN COc1ccc(CN2CCC[C@@H]3C[C@@H]32)cc1O ZINC001203871060 966803141 /nfs/dbraw/zinc/80/31/41/966803141.db2.gz MNPBHLDGWKEBPO-NEPJUHHUSA-N 0 1 233.311 2.385 20 0 BEADMN Cc1cccc(CN2CCOC3(CC3)C2)c1 ZINC001203893151 966813332 /nfs/dbraw/zinc/81/33/32/966813332.db2.gz YFTBNAPBNZFUKN-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN OCCc1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001239024016 966816051 /nfs/dbraw/zinc/81/60/51/966816051.db2.gz RZINUPCQNQKMEF-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN OCCc1cccc(-c2nccc3[nH]cnc32)c1 ZINC001239024016 966816057 /nfs/dbraw/zinc/81/60/57/966816057.db2.gz RZINUPCQNQKMEF-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN c1c[nH]c(CN2CCC[C@H]2Cc2ccccn2)n1 ZINC001203979207 966837671 /nfs/dbraw/zinc/83/76/71/966837671.db2.gz HPJKZKWSBUXRIW-ZDUSSCGKSA-N 0 1 242.326 2.012 20 0 BEADMN FC1(F)CO[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001204008569 966846784 /nfs/dbraw/zinc/84/67/84/966846784.db2.gz IJIHDNOMVCOQPT-LLVKDONJSA-N 0 1 242.269 2.015 20 0 BEADMN Cc1nc(C2CCN(Cc3ccc[nH]3)CC2)no1 ZINC001204010743 966847265 /nfs/dbraw/zinc/84/72/65/966847265.db2.gz UZTGVFRUAWHBTC-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CN(Cc1ccc[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001204013277 966852732 /nfs/dbraw/zinc/85/27/32/966852732.db2.gz NLQYAOGTZSWVRM-CQSZACIVSA-N 0 1 242.322 2.450 20 0 BEADMN Cc1ccsc1CN1CCOC2(CC2)C1 ZINC001204025421 966857879 /nfs/dbraw/zinc/85/78/79/966857879.db2.gz UUTYAZKUPWEUSB-UHFFFAOYSA-N 0 1 223.341 2.421 20 0 BEADMN c1cncc(CN2CCc3cnccc3C2)c1 ZINC001204069076 966878264 /nfs/dbraw/zinc/87/82/64/966878264.db2.gz MJQFPVRZOMGUFQ-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN c1cncc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001204072495 966878817 /nfs/dbraw/zinc/87/88/17/966878817.db2.gz IKFYIVPZXLHELG-ZIAGYGMSSA-N 0 1 232.327 2.083 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001204090160 966888915 /nfs/dbraw/zinc/88/89/15/966888915.db2.gz DBPYQUOJJHNEJH-DRZSPHRISA-N 0 1 221.275 2.182 20 0 BEADMN COc1nc(-c2cccc(C)c2)nc2[nH]cnc21 ZINC001239487595 966908723 /nfs/dbraw/zinc/90/87/23/966908723.db2.gz FEQUWEMEMQLKHX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCc1ccc(CN2CC(CC(=O)OC)C2)cc1 ZINC001204177703 966912805 /nfs/dbraw/zinc/91/28/05/966912805.db2.gz ZZUMVPHQIIPUQX-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN COC1CCC(Nc2ccnc3[nH]cnc32)CC1 ZINC001168614683 967001617 /nfs/dbraw/zinc/00/16/17/967001617.db2.gz PBMXQSGAOZHPEM-UHFFFAOYSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1ncn(-c2cc(F)c(C)cc2F)c1N ZINC001249795600 967070885 /nfs/dbraw/zinc/07/08/85/967070885.db2.gz PQFXYHJMJGFCIF-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN Cc1nn(C)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001204578658 967072921 /nfs/dbraw/zinc/07/29/21/967072921.db2.gz NDYIOMKHMJXSER-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN Cc1ccc2[nH]c(-n3cncc3N)cc2c1 ZINC001249843021 967087747 /nfs/dbraw/zinc/08/77/47/967087747.db2.gz XZSGUWBQXHDLFU-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN Fc1cccc(-c2cc3c(nn2)CNC3)c1F ZINC001239705589 967099843 /nfs/dbraw/zinc/09/98/43/967099843.db2.gz DRNWNUFWEKNQFW-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CCCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000140266938 967155735 /nfs/dbraw/zinc/15/57/35/967155735.db2.gz MXIQCBBMPZBNQJ-UHFFFAOYSA-N 0 1 232.283 2.449 20 0 BEADMN COCCN(Cc1nc2ccccc2[nH]1)C(C)C ZINC001204780196 967165669 /nfs/dbraw/zinc/16/56/69/967165669.db2.gz RWWSBESNANVEIJ-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN COc1nonc1Nc1cc(Cl)ccc1N ZINC001212427020 967168516 /nfs/dbraw/zinc/16/85/16/967168516.db2.gz CAAOXIGAZYJJGW-UHFFFAOYSA-N 0 1 240.650 2.057 20 0 BEADMN CCOCCc1cccc(N2CCN(C)CC2)c1 ZINC001249942531 967184834 /nfs/dbraw/zinc/18/48/34/967184834.db2.gz CRLQFQQSBSFWCQ-UHFFFAOYSA-N 0 1 248.370 2.017 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccncc1O ZINC000162970407 967220347 /nfs/dbraw/zinc/22/03/47/967220347.db2.gz KPONPOFLQWDIGE-NXEZZACHSA-N 0 1 234.299 2.190 20 0 BEADMN CCOC(=O)CCCCc1cnc(N)c(C)c1 ZINC001249981805 967226823 /nfs/dbraw/zinc/22/68/23/967226823.db2.gz YPKBJDQBHIXYDP-UHFFFAOYSA-N 0 1 236.315 2.248 20 0 BEADMN CN(C)c1ccnc(-c2ccc3nonc3c2)c1 ZINC001204918642 967235125 /nfs/dbraw/zinc/23/51/25/967235125.db2.gz VTSQPMZNSFLZFR-UHFFFAOYSA-N 0 1 240.266 2.351 20 0 BEADMN CCOc1cc(CN(C)C2CC2)ccn1 ZINC001249998166 967250211 /nfs/dbraw/zinc/25/02/11/967250211.db2.gz NFVRHJZYTJEZSA-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN Nc1nc2ccccc2n1-c1ccn2ccnc2c1 ZINC001204951722 967252619 /nfs/dbraw/zinc/25/26/19/967252619.db2.gz XVKSEALVHOTOQA-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN COC[C@@H](C)CN1CCC=C(Br)C1 ZINC000388651409 967256532 /nfs/dbraw/zinc/25/65/32/967256532.db2.gz RUNJLCVLAAQGIT-VIFPVBQESA-N 0 1 248.164 2.253 20 0 BEADMN CC(C)OCCCNc1cc(N)c(F)cn1 ZINC001168677736 967280650 /nfs/dbraw/zinc/28/06/50/967280650.db2.gz UCIOHNGVUCTBEY-UHFFFAOYSA-N 0 1 227.283 2.030 20 0 BEADMN C[C@H](Nc1ncc2nc[nH]c2n1)C(C)(C)C ZINC001168682044 967308983 /nfs/dbraw/zinc/30/89/83/967308983.db2.gz FVJYVYCEUZCPJJ-ZETCQYMHSA-N 0 1 219.292 2.151 20 0 BEADMN C[C@H](Nc1cnc2n[nH]nc2c1)C(C)(C)C ZINC001168685291 967331392 /nfs/dbraw/zinc/33/13/92/967331392.db2.gz ZBSJUCXMCCHJOL-ZETCQYMHSA-N 0 1 219.292 2.199 20 0 BEADMN Cc1noc(C)c1Cc1cnc(N)c(C)c1 ZINC001250071985 967341282 /nfs/dbraw/zinc/34/12/82/967341282.db2.gz NHSIFMTWEPSYPS-UHFFFAOYSA-N 0 1 217.272 2.168 20 0 BEADMN Cc1nc2ccc(CC(=O)OC(C)C)cc2[nH]1 ZINC001250088180 967352747 /nfs/dbraw/zinc/35/27/47/967352747.db2.gz DOMLHPLGARRLLN-UHFFFAOYSA-N 0 1 232.283 2.365 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1cnc(CN)nc1 ZINC001168688031 967354271 /nfs/dbraw/zinc/35/42/71/967354271.db2.gz AANJWLMXZRYXNK-VHSXEESVSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1nnc(C(=O)N[C@H](C)CCCC(C)C)[nH]1 ZINC000095061948 967430578 /nfs/dbraw/zinc/43/05/78/967430578.db2.gz SMYXWZKTYIEEDI-SECBINFHSA-N 0 1 238.335 2.058 20 0 BEADMN CCN(Cc1ccc(C)c(F)c1)C1CN(C)C1 ZINC001205251856 967437316 /nfs/dbraw/zinc/43/73/16/967437316.db2.gz QCLOEBRAYFUWDH-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN CCn1nccc1-n1c(N)nc2ccc(C)cc21 ZINC001205268362 967463269 /nfs/dbraw/zinc/46/32/69/967463269.db2.gz NGZYBVVWLKRVBY-UHFFFAOYSA-N 0 1 241.298 2.133 20 0 BEADMN CCc1cc(-n2cncc2N)ccc1OC ZINC001250173567 967476694 /nfs/dbraw/zinc/47/66/94/967476694.db2.gz PTAFWXMXJXBBFX-UHFFFAOYSA-N 0 1 217.272 2.026 20 0 BEADMN OCc1cc(-c2ccc3[nH]nnc3c2)cs1 ZINC001205290056 967480595 /nfs/dbraw/zinc/48/05/95/967480595.db2.gz ATDVVASOSCVBQL-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN OCc1cc(-c2ccc3nn[nH]c3c2)cs1 ZINC001205290056 967480606 /nfs/dbraw/zinc/48/06/06/967480606.db2.gz ATDVVASOSCVBQL-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN OCc1cc(-c2cccc3[nH]nnc32)cs1 ZINC001205297726 967497016 /nfs/dbraw/zinc/49/70/16/967497016.db2.gz LBQYMBOHAXLWNL-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN Cc1nc(CC2=CCCN(C)C2)cs1 ZINC001250195597 967508223 /nfs/dbraw/zinc/50/82/23/967508223.db2.gz UWWZOYHRNJJCFT-UHFFFAOYSA-N 0 1 208.330 2.256 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000095162561 967550381 /nfs/dbraw/zinc/55/03/81/967550381.db2.gz OYUJNDKRMYCZEC-SNVBAGLBSA-N 0 1 245.330 2.097 20 0 BEADMN O=C(Cc1cnoc1)c1ccc(F)cc1F ZINC001250248992 967564339 /nfs/dbraw/zinc/56/43/39/967564339.db2.gz HYEJEHPVPZNIBY-UHFFFAOYSA-N 0 1 223.178 2.378 20 0 BEADMN Cc1ncn(C)c1Nc1cccnc1C ZINC001205354518 967572867 /nfs/dbraw/zinc/57/28/67/967572867.db2.gz ATGXECMMCWNCGN-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN O=C([O-])C[N@H+](C/C(Cl)=C/Cl)CC1CC1 ZINC000086000630 967573373 /nfs/dbraw/zinc/57/33/73/967573373.db2.gz VXZKDFJBTIOOON-BAQGIRSFSA-N 0 1 238.114 2.102 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272989702 967578492 /nfs/dbraw/zinc/57/84/92/967578492.db2.gz DBRXBNQISWGCBC-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CN(C)Cc1cccc(-c2cncnc2)c1F ZINC001240378185 967587282 /nfs/dbraw/zinc/58/72/82/967587282.db2.gz ACAGVEDIQVCSFK-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN Cc1ccc(CCN2CCOCC2)c(C)c1 ZINC001250274371 967601283 /nfs/dbraw/zinc/60/12/83/967601283.db2.gz GDYUQVNIUHWNIH-UHFFFAOYSA-N 0 1 219.328 2.178 20 0 BEADMN Cc1[nH]nc2cc(CC(=O)N3CCCC3)ccc12 ZINC001250290616 967628011 /nfs/dbraw/zinc/62/80/11/967628011.db2.gz SRLRZRXWQHUTJF-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN Cc1nc2cnc(N[C@@H]3CC=CCC3)nc2[nH]1 ZINC001161754444 967634845 /nfs/dbraw/zinc/63/48/45/967634845.db2.gz MFUNMPYROXWFND-SECBINFHSA-N 0 1 229.287 2.134 20 0 BEADMN CCn1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cn1 ZINC001205524894 967658345 /nfs/dbraw/zinc/65/83/45/967658345.db2.gz FAERSGPVGMZBES-CQSZACIVSA-N 0 1 249.358 2.048 20 0 BEADMN CCn1cc(CN2CC[C@@]3(C2)CCCCO3)cn1 ZINC001205524894 967658371 /nfs/dbraw/zinc/65/83/71/967658371.db2.gz FAERSGPVGMZBES-CQSZACIVSA-N 0 1 249.358 2.048 20 0 BEADMN Cc1nc2ccc(CCn3ccnc3)cc2[nH]1 ZINC001250319529 967695124 /nfs/dbraw/zinc/69/51/24/967695124.db2.gz UGAZQLRWWSKRTI-UHFFFAOYSA-N 0 1 226.283 2.311 20 0 BEADMN c1cc(Nc2ccc3cncn3c2)on1 ZINC001250324666 967701349 /nfs/dbraw/zinc/70/13/49/967701349.db2.gz WHVDBXCQESGRKD-UHFFFAOYSA-N 0 1 200.201 2.066 20 0 BEADMN Cc1cnc(Nc2ccc3cncn3c2)cn1 ZINC001250323421 967703545 /nfs/dbraw/zinc/70/35/45/967703545.db2.gz XZUUBNOEAIVGRQ-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN c1ncn2cc(Nc3cccnc3)ccc12 ZINC001250323085 967703848 /nfs/dbraw/zinc/70/38/48/967703848.db2.gz RWKFDUFYVGRHPN-UHFFFAOYSA-N 0 1 210.240 2.473 20 0 BEADMN Cc1nn(C)c(C)c1Nc1ccc2cncn2c1 ZINC001250324726 967705423 /nfs/dbraw/zinc/70/54/23/967705423.db2.gz ZHKLIIQHGRYIIR-UHFFFAOYSA-N 0 1 241.298 2.428 20 0 BEADMN Nc1ccc2c(cnn2-c2ccc3cncn3c2)c1 ZINC001250328382 967710881 /nfs/dbraw/zinc/71/08/81/967710881.db2.gz QFTARJSXACTZKR-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN FCCn1cnc(Nc2ccc3cncn3c2)c1 ZINC001250327975 967713285 /nfs/dbraw/zinc/71/32/85/967713285.db2.gz JNKVKROCFXYJNY-UHFFFAOYSA-N 0 1 245.261 2.244 20 0 BEADMN CCOc1cc(Nc2ccc3cncn3c2)no1 ZINC001250330468 967716028 /nfs/dbraw/zinc/71/60/28/967716028.db2.gz XWCIWQDOGUHQPS-UHFFFAOYSA-N 0 1 244.254 2.465 20 0 BEADMN CC(C)(C)OC(=O)CCc1ccc2[nH]nnc2c1 ZINC001250329336 967718478 /nfs/dbraw/zinc/71/84/78/967718478.db2.gz LRCUUFZHPDTCNA-UHFFFAOYSA-N 0 1 247.298 2.232 20 0 BEADMN CC(C)(C)OC(=O)CCc1ccc2nn[nH]c2c1 ZINC001250329336 967718490 /nfs/dbraw/zinc/71/84/90/967718490.db2.gz LRCUUFZHPDTCNA-UHFFFAOYSA-N 0 1 247.298 2.232 20 0 BEADMN CCCCNc1cnc(N2CCOCC2)cc1C ZINC001162204072 967733338 /nfs/dbraw/zinc/73/33/38/967733338.db2.gz ISVVWBHMHAZKNJ-UHFFFAOYSA-N 0 1 249.358 2.439 20 0 BEADMN FC1CC(Nc2ccc3nc[nH]c3c2)C1 ZINC001162214313 967744605 /nfs/dbraw/zinc/74/46/05/967744605.db2.gz MAIBFGCBEVTRMH-UHFFFAOYSA-N 0 1 205.236 2.475 20 0 BEADMN c1nocc1CN1CCC(OC2CCC2)CC1 ZINC001205677480 967767974 /nfs/dbraw/zinc/76/79/74/967767974.db2.gz KBGSIYLILQXBIA-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN c1nocc1CN1CCC[C@@H](c2ccccn2)C1 ZINC001205696791 967783040 /nfs/dbraw/zinc/78/30/40/967783040.db2.gz HTKMCJFYPWAZCJ-CYBMUJFWSA-N 0 1 243.310 2.449 20 0 BEADMN CN(CCc1ccccc1F)Cc1cnoc1 ZINC001205732957 967806884 /nfs/dbraw/zinc/80/68/84/967806884.db2.gz YNZCOVMDODXPGL-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701576855 967815796 /nfs/dbraw/zinc/81/57/96/967815796.db2.gz IHHAHKADBHSLRL-GXTWGEPZSA-N 0 1 249.310 2.275 20 0 BEADMN COC(=O)c1cc2[nH]c(C(C)C)nc2cc1OC ZINC001250415660 967822596 /nfs/dbraw/zinc/82/25/96/967822596.db2.gz FJNPKHWOQAEGQS-UHFFFAOYSA-N 0 1 248.282 2.482 20 0 BEADMN Cc1cccnc1CN1CC2(C1)CCOCC2 ZINC001205793619 967823793 /nfs/dbraw/zinc/82/37/93/967823793.db2.gz VIKHSCSNQDCZMN-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CCc1nc2ccc(OCOC)cc2[nH]1 ZINC001250426622 967841946 /nfs/dbraw/zinc/84/19/46/967841946.db2.gz NZVVQQKTLAZCBN-UHFFFAOYSA-N 0 1 206.245 2.108 20 0 BEADMN COc1cc2nc(-c3cc[nH]n3)[nH]c2cc1F ZINC001250438118 967859266 /nfs/dbraw/zinc/85/92/66/967859266.db2.gz GYQWSNYASALTHZ-UHFFFAOYSA-N 0 1 232.218 2.101 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001205862492 967861118 /nfs/dbraw/zinc/86/11/18/967861118.db2.gz DOQQJEFCXDBYBT-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN CN(C)Cc1cccc(Cc2ccnn2C)c1F ZINC001250438754 967861055 /nfs/dbraw/zinc/86/10/55/967861055.db2.gz YJWDGJDMWBIKFZ-UHFFFAOYSA-N 0 1 247.317 2.212 20 0 BEADMN Cc1cc2nc(-c3cn[nH]c3)[nH]c2cc1F ZINC001250439207 967862127 /nfs/dbraw/zinc/86/21/27/967862127.db2.gz MBJUCNVAIBLEBR-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1c2[nH]c(-c3cn[nH]c3)nc2ccc1F ZINC001250439526 967863544 /nfs/dbraw/zinc/86/35/44/967863544.db2.gz VGAOOKPPUCGFQR-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cn1c2cc(Cl)ccc2nc1-c1c[nH]nn1 ZINC001250441171 967864524 /nfs/dbraw/zinc/86/45/24/967864524.db2.gz IZWSMEPMINJZAN-UHFFFAOYSA-N 0 1 233.662 2.012 20 0 BEADMN Cn1c2ccc(Cl)cc2nc1-c1c[nH]nn1 ZINC001250440975 967864566 /nfs/dbraw/zinc/86/45/66/967864566.db2.gz FMJCYGFXLIAYEJ-UHFFFAOYSA-N 0 1 233.662 2.012 20 0 BEADMN Cc1ncc(-c2cccn3cncc23)cn1 ZINC001205869965 967864641 /nfs/dbraw/zinc/86/46/41/967864641.db2.gz PVJQEPFILFQWMA-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1ccnc(F)c1Nc1ccnc(CO)c1 ZINC001212556079 967870494 /nfs/dbraw/zinc/87/04/94/967870494.db2.gz WFQXJDLDTGXWHN-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN Cn1ccnc1Nc1cnn(C(C)(C)C)c1 ZINC001212566820 967879095 /nfs/dbraw/zinc/87/90/95/967879095.db2.gz PPTZLPGHJXFYGN-UHFFFAOYSA-N 0 1 219.292 2.115 20 0 BEADMN CCOc1ccc2nc(-c3ncc[nH]3)[nH]c2c1 ZINC001250470003 967892745 /nfs/dbraw/zinc/89/27/45/967892745.db2.gz MVWSTGGPMHPZIW-UHFFFAOYSA-N 0 1 228.255 2.352 20 0 BEADMN Oc1c(F)cc(F)c(-c2ncc(F)cn2)c1F ZINC001250475247 967906735 /nfs/dbraw/zinc/90/67/35/967906735.db2.gz DYAAOSUQHQUQGC-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Cc1[nH]nc2ccc(-c3ncc(F)cn3)cc12 ZINC001250475651 967907451 /nfs/dbraw/zinc/90/74/51/967907451.db2.gz LUNMTDWOQQDYLN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@@H](CC)C(=O)[O-] ZINC000308523965 967929718 /nfs/dbraw/zinc/92/97/18/967929718.db2.gz ZTWIFEZWSVXZGE-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Oc1cc(F)c(-c2ccncn2)cc1F ZINC001250492732 967965128 /nfs/dbraw/zinc/96/51/28/967965128.db2.gz XEWJFQAJWVPJNG-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1cnc(-c2c(F)cc(O)cc2F)nc1 ZINC001250494641 967968730 /nfs/dbraw/zinc/96/87/30/967968730.db2.gz WBVGLIRSNQPHEV-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001250497189 967976044 /nfs/dbraw/zinc/97/60/44/967976044.db2.gz NBXWPPRXLPMLRU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Oc1ccccc1-c1nccc(N2CCCC2)n1 ZINC001250499532 967987654 /nfs/dbraw/zinc/98/76/54/967987654.db2.gz NAYXHOXLIOGNAP-UHFFFAOYSA-N 0 1 241.294 2.449 20 0 BEADMN COc1ccc2nc(-c3[nH]cnc3C)n(C)c2c1 ZINC001250498894 967990486 /nfs/dbraw/zinc/99/04/86/967990486.db2.gz RUDXWAJFJINWGY-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Cc1cccc2nc(-c3nccn3C)[nH]c21 ZINC001250501215 967991649 /nfs/dbraw/zinc/99/16/49/967991649.db2.gz ADDUJFVPMVFFAG-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN C[C@@H]1Cc2cc(NCc3cnc[nH]3)ccc2O1 ZINC000922903827 967993735 /nfs/dbraw/zinc/99/37/35/967993735.db2.gz FCSGBLYEHVDUBY-SECBINFHSA-N 0 1 229.283 2.345 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3nccn3C)nc21 ZINC001250502458 967995470 /nfs/dbraw/zinc/99/54/70/967995470.db2.gz YSXBBISWIYFKOS-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CN(C)c1ccc2nc(-c3cn(C)cn3)[nH]c2c1 ZINC001250511093 968009734 /nfs/dbraw/zinc/00/97/34/968009734.db2.gz DNQGYWCRLVBFCY-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN Cc1cc2nc(-c3ccn(C)n3)[nH]c2cc1F ZINC001250512159 968010500 /nfs/dbraw/zinc/01/05/00/968010500.db2.gz QQMCMIIDAIRIHB-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1ncc(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC001250515457 968014217 /nfs/dbraw/zinc/01/42/17/968014217.db2.gz PFYCRCDTRJGBBC-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Fc1ccc2nc(-c3ncccn3)[nH]c2c1 ZINC001250524818 968027591 /nfs/dbraw/zinc/02/75/91/968027591.db2.gz ZXFLWEDUBBSTIX-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1ccc(-c2ccc3cncn3c2)nn1 ZINC001250523789 968028818 /nfs/dbraw/zinc/02/88/18/968028818.db2.gz FOIKRGPQTORVRQ-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN COc1ccc2nc(-c3ccc[nH]c3=O)[nH]c2c1 ZINC001250521615 968030236 /nfs/dbraw/zinc/03/02/36/968030236.db2.gz DFGJDNGXDZIDAI-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCOc1ccc2nc(-c3ncccn3)[nH]c2c1 ZINC001250524611 968030386 /nfs/dbraw/zinc/03/03/86/968030386.db2.gz UFCLXYIMXUIKSN-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1nc(CN(C)CC2CC(F)(F)C2)co1 ZINC001206074084 968043980 /nfs/dbraw/zinc/04/39/80/968043980.db2.gz KPIXFASDILFMRQ-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CCOC(=O)c1nc2c(cc(F)cc2C)[nH]1 ZINC001250550102 968055730 /nfs/dbraw/zinc/05/57/30/968055730.db2.gz PNPLPJVNLATHBK-UHFFFAOYSA-N 0 1 222.219 2.187 20 0 BEADMN Cc1cc2nc(CCn3cccn3)[nH]c2cc1F ZINC001250562428 968070913 /nfs/dbraw/zinc/07/09/13/968070913.db2.gz HXBQCXGECXFDSD-UHFFFAOYSA-N 0 1 244.273 2.450 20 0 BEADMN CCOc1ccc2nc([C@H](C)C(=O)OC)[nH]c2c1 ZINC001250577798 968100988 /nfs/dbraw/zinc/10/09/88/968100988.db2.gz YOHMHUHGVYVCEE-QMMMGPOBSA-N 0 1 248.282 2.238 20 0 BEADMN COC(=O)[C@H](C)c1nc2ccc(F)c(C)c2[nH]1 ZINC001250577724 968101532 /nfs/dbraw/zinc/10/15/32/968101532.db2.gz WLOOHSPLQGVLNA-SSDOTTSWSA-N 0 1 236.246 2.287 20 0 BEADMN CC1(Nc2ccnc3[nH]cnc32)CCC1 ZINC001164033058 968161340 /nfs/dbraw/zinc/16/13/40/968161340.db2.gz VJABKWUPJXDDMB-UHFFFAOYSA-N 0 1 202.261 2.312 20 0 BEADMN C[C@@H]1C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250616111 968163668 /nfs/dbraw/zinc/16/36/68/968163668.db2.gz WXFIFHPZKSMDNL-RQJHMYQMSA-N 0 1 243.266 2.017 20 0 BEADMN CN(C)c1ccc2nc(-c3ccon3)[nH]c2c1 ZINC001250621734 968167717 /nfs/dbraw/zinc/16/77/17/968167717.db2.gz PDSRWOBIXHQIDU-UHFFFAOYSA-N 0 1 228.255 2.284 20 0 BEADMN Cn1ccc(CN2CCC[C@@](C)(F)CC2)n1 ZINC001206264135 968183904 /nfs/dbraw/zinc/18/39/04/968183904.db2.gz JCZUEFGXOAZTRA-GFCCVEGCSA-N 0 1 225.311 2.134 20 0 BEADMN Cn1ccc(CN2CCC[C@](C)(F)CC2)n1 ZINC001206264136 968184505 /nfs/dbraw/zinc/18/45/05/968184505.db2.gz JCZUEFGXOAZTRA-LBPRGKRZSA-N 0 1 225.311 2.134 20 0 BEADMN Cc1ccc(N2CCC[C@H](O)[C@H](C)C2)nc1C ZINC001164219628 968192752 /nfs/dbraw/zinc/19/27/52/968192752.db2.gz VPVHAANYNKHIOC-YPMHNXCESA-N 0 1 234.343 2.296 20 0 BEADMN Cc1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCC4)n1 ZINC001250736652 968200149 /nfs/dbraw/zinc/20/01/49/968200149.db2.gz YBNKCKQFKXESHW-UHFFFAOYSA-N 0 1 240.266 2.196 20 0 BEADMN Cc1cccc(CCN(C)Cc2ccn(C)n2)c1 ZINC001206293122 968202637 /nfs/dbraw/zinc/20/26/37/968202637.db2.gz QGROSBQQMBBKPA-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN CCc1ccc(C)nc1NC[C@H](O)C(F)(F)F ZINC001250955237 968221061 /nfs/dbraw/zinc/22/10/61/968221061.db2.gz ABTLMIBDNKDVMJ-VIFPVBQESA-N 0 1 248.248 2.288 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC(F)(F)C1 ZINC000397029674 968238202 /nfs/dbraw/zinc/23/82/02/968238202.db2.gz APZBGAUWCBFMGU-WPRPVWTQSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1[C@@H]1C=CCCC1 ZINC000397057311 968240678 /nfs/dbraw/zinc/24/06/78/968240678.db2.gz USKDRLNSJNFWTH-GRYCIOLGSA-N 0 1 223.316 2.280 20 0 BEADMN CC(C)SCC[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397120117 968250019 /nfs/dbraw/zinc/25/00/19/968250019.db2.gz SPQJFSANENZRFF-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN Cc1ccc2nc(-c3ncc(F)cn3)[nH]c2c1 ZINC001251381509 968286890 /nfs/dbraw/zinc/28/68/90/968286890.db2.gz AEOAFIQNUGPXQC-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cn1 ZINC001206409780 968287614 /nfs/dbraw/zinc/28/76/14/968287614.db2.gz MKSHCRCZOITCBN-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1ccoc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001251519372 968289859 /nfs/dbraw/zinc/28/98/59/968289859.db2.gz NDOBCWXTWQXXOZ-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1ccoc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001251519372 968289865 /nfs/dbraw/zinc/28/98/65/968289865.db2.gz NDOBCWXTWQXXOZ-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])[C@@H](C)[C@H]1C ZINC000399577063 968292248 /nfs/dbraw/zinc/29/22/48/968292248.db2.gz QLHJEZVQRPQVKG-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN COC(C)(C)CNc1cn2ccnc2cc1C ZINC001165843146 968296079 /nfs/dbraw/zinc/29/60/79/968296079.db2.gz YAYCETQEJBPSIS-UHFFFAOYSA-N 0 1 233.315 2.480 20 0 BEADMN CCn1cncc1-c1nc2ccc(OC)cc2[nH]1 ZINC001251628045 968296658 /nfs/dbraw/zinc/29/66/58/968296658.db2.gz LFQIPLJSDWXGKR-UHFFFAOYSA-N 0 1 242.282 2.455 20 0 BEADMN CC[C@@H](C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320496086 1169917872 /nfs/dbraw/zinc/91/78/72/1169917872.db2.gz OUJZPIUFMCUZSB-KOLCDFICSA-N 0 1 235.331 2.392 20 0 BEADMN COc1cnccc1CN1CC[C@](C)(CF)C1 ZINC001206438041 968303121 /nfs/dbraw/zinc/30/31/21/968303121.db2.gz KPFJEKUBDXYRFC-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN CCCCN(C)Cc1ccncc1OC ZINC001206438345 968305527 /nfs/dbraw/zinc/30/55/27/968305527.db2.gz QPLLASGNXNLTQX-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN Cc1c2[nH]c(-c3cnnn3C)nc2ccc1Cl ZINC001251717328 968306814 /nfs/dbraw/zinc/30/68/14/968306814.db2.gz HKOBPCNSQOKRBQ-UHFFFAOYSA-N 0 1 247.689 2.320 20 0 BEADMN Cc1cc(CNCc2ccc([C@H](C)O)cc2)[nH]n1 ZINC001251723691 968308338 /nfs/dbraw/zinc/30/83/38/968308338.db2.gz CAMDAQIBRHYXHG-NSHDSACASA-N 0 1 245.326 2.061 20 0 BEADMN CCc1ccc(C)nc1NC[C@H](O)CC ZINC001251751037 968310318 /nfs/dbraw/zinc/31/03/18/968310318.db2.gz ICLFQFSQDWXSNA-LLVKDONJSA-N 0 1 208.305 2.135 20 0 BEADMN Nc1cc(Nc2c[nH]c(Cl)cc2=O)ccn1 ZINC001206535752 968353468 /nfs/dbraw/zinc/35/34/68/968353468.db2.gz RIWFWTJNZUDQMZ-UHFFFAOYSA-N 0 1 236.662 2.161 20 0 BEADMN Nc1cc(Nc2c(=O)cc[nH]c2Cl)ccn1 ZINC001206542875 968371920 /nfs/dbraw/zinc/37/19/20/968371920.db2.gz MDSPVCWYEITEME-UHFFFAOYSA-N 0 1 236.662 2.161 20 0 BEADMN COc1ncccc1CN1CCC2(CC2)C1 ZINC001206560629 968384742 /nfs/dbraw/zinc/38/47/42/968384742.db2.gz CJYBRQOJJKWWLS-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1Cl ZINC001230015576 968440614 /nfs/dbraw/zinc/44/06/14/968440614.db2.gz YHFVAMUPJIMQOK-XLPZGREQSA-N 0 1 238.674 2.179 20 0 BEADMN Cc1nnc(-c2cc(F)c(O)cc2F)nc1C ZINC001206776057 968453704 /nfs/dbraw/zinc/45/37/04/968453704.db2.gz YGUCZQRDWFXSFM-UHFFFAOYSA-N 0 1 237.209 2.139 20 0 BEADMN Clc1cccc2c1CN(CCc1c[nH]nn1)C2 ZINC001119710596 968456608 /nfs/dbraw/zinc/45/66/08/968456608.db2.gz FAOVAWWEKCTYNH-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN COc1cnc(-c2cc(F)c(O)cc2F)cn1 ZINC001206756218 968458556 /nfs/dbraw/zinc/45/85/56/968458556.db2.gz XOCIVLFYQYXMLL-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN CN(CCc1cccnc1)Cc1ccncc1F ZINC001206785990 968467491 /nfs/dbraw/zinc/46/74/91/968467491.db2.gz ORUVMSFUAGBUPK-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCn1cc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)nn1 ZINC001119806457 968468439 /nfs/dbraw/zinc/46/84/39/968468439.db2.gz RVNXDGWTWXEAOX-TZMCWYRMSA-N 0 1 248.374 2.310 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccncc3F)C[C@@H]12 ZINC001206790883 968471164 /nfs/dbraw/zinc/47/11/64/968471164.db2.gz WYZMUZHXMXMYTJ-ZYHUDNBSSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001206846446 968497339 /nfs/dbraw/zinc/49/73/39/968497339.db2.gz JXDCBZTZWWWKNF-DZGCQCFKSA-N 0 1 246.354 2.391 20 0 BEADMN CCCC[C@@H](O)CNc1[nH]nc2nc(C)ccc21 ZINC001252078941 968497273 /nfs/dbraw/zinc/49/72/73/968497273.db2.gz CXORHNGRMKBSRS-SNVBAGLBSA-N 0 1 248.330 2.229 20 0 BEADMN Cc1ccnc(CN2CC(c3cccnc3)C2)c1 ZINC001206853470 968499506 /nfs/dbraw/zinc/49/95/06/968499506.db2.gz VJMHQNUIOWDCCF-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN CCCC[C@H](O)CNc1cc(C)nc(OC)c1 ZINC001252081460 968499758 /nfs/dbraw/zinc/49/97/58/968499758.db2.gz HLILFWNLFHFPSH-LBPRGKRZSA-N 0 1 238.331 2.362 20 0 BEADMN CCCC[C@H](O)CN1CC[C@](C)(F)[C@@H](F)C1 ZINC001252083784 968504857 /nfs/dbraw/zinc/50/48/57/968504857.db2.gz SXOHEYHMXRXLIF-SRVKXCTJSA-N 0 1 235.318 2.310 20 0 BEADMN CCCC[C@H](O)CN1CCOc2ccccc2C1 ZINC001252090985 968512653 /nfs/dbraw/zinc/51/26/53/968512653.db2.gz ORHJQIDAYJEBMO-AWEZNQCLSA-N 0 1 249.354 2.432 20 0 BEADMN c1snnc1CNC[C@@H]1CCc2ccccc21 ZINC001120040868 968514111 /nfs/dbraw/zinc/51/41/11/968514111.db2.gz QOBWPIGPUDVBRF-NSHDSACASA-N 0 1 245.351 2.358 20 0 BEADMN Clc1nc2[nH]ncc2c(O[C@H]2C=CCC2)n1 ZINC001231047468 968515712 /nfs/dbraw/zinc/51/57/12/968515712.db2.gz VCCBGHQOBZPXFC-LURJTMIESA-N 0 1 236.662 2.104 20 0 BEADMN C[C@H]1c2cccn2CCN1Cc1ccc[nH]c1=O ZINC001207008717 968543552 /nfs/dbraw/zinc/54/35/52/968543552.db2.gz LIRTVALXEPSXMX-NSHDSACASA-N 0 1 243.310 2.166 20 0 BEADMN c1cnc(CN2CC[C@@H]3CCC[C@H]3C2)nc1 ZINC001207011333 968550263 /nfs/dbraw/zinc/55/02/63/968550263.db2.gz FUBKIQPIDUTYET-RYUDHWBXSA-N 0 1 217.316 2.099 20 0 BEADMN c1cnc(CN2CC[C@H]3CCC[C@@H]3C2)nc1 ZINC001207011334 968550684 /nfs/dbraw/zinc/55/06/84/968550684.db2.gz FUBKIQPIDUTYET-VXGBXAGGSA-N 0 1 217.316 2.099 20 0 BEADMN Cc1cc(C(=O)NCc2n[nH]c(C)c2C)c(C)o1 ZINC000716187049 968565319 /nfs/dbraw/zinc/56/53/19/968565319.db2.gz KEUQXFCZTZKZHV-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN CCN(CC)Cc1ncc2ccccn21 ZINC001207048497 968579274 /nfs/dbraw/zinc/57/92/74/968579274.db2.gz RSTNXZYVQUICGR-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN C[C@H]1CCCN1Cc1ncc2ccccn21 ZINC001207048546 968579416 /nfs/dbraw/zinc/57/94/16/968579416.db2.gz UEPNGCINPQDGEG-NSHDSACASA-N 0 1 215.300 2.319 20 0 BEADMN c1nc(CN2CCCC23CC3)n2ccccc12 ZINC001207048692 968580801 /nfs/dbraw/zinc/58/08/01/968580801.db2.gz ITOOXSVOJBLKIU-UHFFFAOYSA-N 0 1 227.311 2.463 20 0 BEADMN c1nc(CN2CCC[C@@H]3C[C@@H]32)n2ccccc12 ZINC001207055488 968584596 /nfs/dbraw/zinc/58/45/96/968584596.db2.gz YLSRWPDSLDUIPI-YPMHNXCESA-N 0 1 227.311 2.319 20 0 BEADMN Cc1cnc(CN(C)C2CC(C)C2)cn1 ZINC001207072589 968606205 /nfs/dbraw/zinc/60/62/05/968606205.db2.gz JZJLEQDTGMJCNY-UHFFFAOYSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1cnc(CN2CCCCC23CC3)cn1 ZINC001207079661 968615594 /nfs/dbraw/zinc/61/55/94/968615594.db2.gz YUJBXMYILMDIOK-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN Cc1cnc(C[N@H+]2CCCCC23CC3)cn1 ZINC001207079661 968615590 /nfs/dbraw/zinc/61/55/90/968615590.db2.gz YUJBXMYILMDIOK-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN CCOC1CCN(Cc2ccnc(CC)n2)CC1 ZINC001207087156 968619314 /nfs/dbraw/zinc/61/93/14/968619314.db2.gz YHAJMAUIXRZDPI-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1nccc(CN2CCC[C@H](CF)C2)n1 ZINC001207088856 968621919 /nfs/dbraw/zinc/62/19/19/968621919.db2.gz VPXLIMIVYLIHFA-LLVKDONJSA-N 0 1 237.322 2.221 20 0 BEADMN CCc1nccc(CN2CC[C@H](OC)C[C@@H]2C)n1 ZINC001207090949 968622138 /nfs/dbraw/zinc/62/21/38/968622138.db2.gz MIYWZDUXOQHBOL-AAEUAGOBSA-N 0 1 249.358 2.038 20 0 BEADMN Cc1cncc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001207155111 968663957 /nfs/dbraw/zinc/66/39/57/968663957.db2.gz KYPHDYNPSXDIMD-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN CC(C)n1nccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001207173874 968678850 /nfs/dbraw/zinc/67/88/50/968678850.db2.gz LORWDRWEVAULAL-WCFLWFBJSA-N 0 1 237.322 2.396 20 0 BEADMN CCOc1ccnc(NC2CC(F)C2)c1 ZINC001154833946 968687150 /nfs/dbraw/zinc/68/71/50/968687150.db2.gz FYOGGFZFYUHENV-UHFFFAOYSA-N 0 1 210.252 2.393 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462892 968735040 /nfs/dbraw/zinc/73/50/40/968735040.db2.gz QCYVCEVBYRDUAJ-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN COc1cccc(CCN(C2CC2)C2COC2)c1 ZINC001207430855 968764318 /nfs/dbraw/zinc/76/43/18/968764318.db2.gz JESBGSULASHBJZ-UHFFFAOYSA-N 0 1 247.338 2.101 20 0 BEADMN COc1cccc(CCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001207426233 968765925 /nfs/dbraw/zinc/76/59/25/968765925.db2.gz YMAOTJFPIIJDMA-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CC[C@@H]1COCCN1CCc1ccccc1OC ZINC001207458897 968778637 /nfs/dbraw/zinc/77/86/37/968778637.db2.gz IOWQZZDYJSHMNB-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN C[C@H]1C[C@H](CO)CN(CC=C(Cl)Cl)C1 ZINC000403788383 968782724 /nfs/dbraw/zinc/78/27/24/968782724.db2.gz ZVWOACPBTXNWMB-IUCAKERBSA-N 0 1 238.158 2.256 20 0 BEADMN COc1ccccc1CC[N@H+]1CC[C@]12CCOC2 ZINC001207460055 968785464 /nfs/dbraw/zinc/78/54/64/968785464.db2.gz GFKISGBLHJQBFJ-OAHLLOKOSA-N 0 1 247.338 2.103 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@@H]1CCCOC1)C2 ZINC001207471828 968792535 /nfs/dbraw/zinc/79/25/35/968792535.db2.gz UVHPXEOTYGHAJH-LBPRGKRZSA-N 0 1 232.327 2.132 20 0 BEADMN COc1ccc(CCN2CC(C(F)F)C2)cc1 ZINC001207478165 968793353 /nfs/dbraw/zinc/79/33/53/968793353.db2.gz BWVQUSBZYMGKOM-UHFFFAOYSA-N 0 1 241.281 2.435 20 0 BEADMN Fc1ccc(CCN2CCOC[C@H]2C2CC2)cc1 ZINC001207517466 968813290 /nfs/dbraw/zinc/81/32/90/968813290.db2.gz SIRUNHBSEFPTFL-HNNXBMFYSA-N 0 1 249.329 2.479 20 0 BEADMN c1nc(CN2C[C@@H]3CSC[C@@H]3C2)cn1C1CC1 ZINC001207549262 968820030 /nfs/dbraw/zinc/82/00/30/968820030.db2.gz STEMNKRCYVRTBL-PHIMTYICSA-N 0 1 249.383 2.013 20 0 BEADMN COc1cccc(CCCN2CC(C)(OC)C2)c1 ZINC001207559342 968820554 /nfs/dbraw/zinc/82/05/54/968820554.db2.gz SFPWRKRIIMRESP-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN CC1(O)CN(CCCc2cccc(Cl)c2)C1 ZINC001207584504 968824177 /nfs/dbraw/zinc/82/41/77/968824177.db2.gz YKOHQFIFYIABAR-UHFFFAOYSA-N 0 1 239.746 2.339 20 0 BEADMN O[C@@H]1CN(CCCCc2ccccc2)C[C@@H]1F ZINC001207608080 968830655 /nfs/dbraw/zinc/83/06/55/968830655.db2.gz DLBJSJSBYAJZQN-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN c1ccc(CCCCN2CCC23COC3)cc1 ZINC001207609841 968830930 /nfs/dbraw/zinc/83/09/30/968830930.db2.gz BZAOBZQBDZRFLD-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN c1c2c(nnc1NCCC1=CCCCC1)CNC2 ZINC001168771406 968842658 /nfs/dbraw/zinc/84/26/58/968842658.db2.gz YEBOBCUAJAMTSZ-UHFFFAOYSA-N 0 1 244.342 2.382 20 0 BEADMN Cc1ccc(-c2nnc(C3CN(C)C3)o2)cc1 ZINC001252592814 968851242 /nfs/dbraw/zinc/85/12/42/968851242.db2.gz FKWWIPPZXNNESE-UHFFFAOYSA-N 0 1 229.283 2.074 20 0 BEADMN Nc1ccccc1-c1cc2[nH]cnc2cn1 ZINC001241058015 968879928 /nfs/dbraw/zinc/87/99/28/968879928.db2.gz XMJOLCUTUFGAGW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC(C)[C@@H](CO)NCc1csc(C2CC2)n1 ZINC000165454109 968909464 /nfs/dbraw/zinc/90/94/64/968909464.db2.gz SHTSVANKJLUCTA-LLVKDONJSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@H](CN1C[C@H]2C[C@@H](C1)O2)c1ccccc1 ZINC001207910878 968926950 /nfs/dbraw/zinc/92/69/50/968926950.db2.gz ZZZKSORYVUMPPK-BNOWGMLFSA-N 0 1 217.312 2.263 20 0 BEADMN CCC[C@@H](O)CNc1c(C)nc2ccccn21 ZINC001252774597 968943546 /nfs/dbraw/zinc/94/35/46/968943546.db2.gz QZAJUVLSJBOCTJ-LLVKDONJSA-N 0 1 233.315 2.216 20 0 BEADMN Cc1ccc(CCCN(C)Cc2ccncn2)o1 ZINC001207950777 968943889 /nfs/dbraw/zinc/94/38/89/968943889.db2.gz STKCYHXDEVCBRX-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN Cc1ccc(CCCN2CCCC23COC3)o1 ZINC001207948164 968944563 /nfs/dbraw/zinc/94/45/63/968944563.db2.gz PMLDTXITGSQGSC-UHFFFAOYSA-N 0 1 235.327 2.385 20 0 BEADMN CCC[C@H](O)CNc1c(C)nc2ccccn21 ZINC001252774598 968945931 /nfs/dbraw/zinc/94/59/31/968945931.db2.gz QZAJUVLSJBOCTJ-NSHDSACASA-N 0 1 233.315 2.216 20 0 BEADMN C[C@]1(F)CCN(C[C@@H]2CCCCO2)C[C@@H]1F ZINC001207954330 968951038 /nfs/dbraw/zinc/95/10/38/968951038.db2.gz NURBGSKONBMTIF-SRVKXCTJSA-N 0 1 233.302 2.328 20 0 BEADMN c1cnc([C@@H]2CCCN2C[C@H]2CCCCO2)cn1 ZINC001207957705 968954104 /nfs/dbraw/zinc/95/41/04/968954104.db2.gz XYKUXBHYDVJEJW-OCCSQVGLSA-N 0 1 247.342 2.183 20 0 BEADMN c1cnc2c(c1)CCN(C[C@@H]1CCCCO1)C2 ZINC001207961136 968960637 /nfs/dbraw/zinc/96/06/37/968960637.db2.gz XKTFUTOBSPIHIC-ZDUSSCGKSA-N 0 1 232.327 2.009 20 0 BEADMN COC(=O)c1ccc(F)cc1C1=CCN(C)CC1 ZINC001241319295 968976199 /nfs/dbraw/zinc/97/61/99/968976199.db2.gz GSAWJXKRZWFBIP-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CCC[C@H](O)CNC(C)(C)C(=O)c1ccccc1 ZINC001252796862 968978592 /nfs/dbraw/zinc/97/85/92/968978592.db2.gz VQOVLHGRCZMOGY-ZDUSSCGKSA-N 0 1 249.354 2.399 20 0 BEADMN COc1ncc(-c2cnc3nc[nH]c3c2C)s1 ZINC001241413654 968993752 /nfs/dbraw/zinc/99/37/52/968993752.db2.gz BFFUKDKKWIVADW-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN COc1ncc(-c2cncc3[nH]cnc32)s1 ZINC001241414029 968997433 /nfs/dbraw/zinc/99/74/33/968997433.db2.gz PONQCWWUCICFME-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN COc1ncc(-c2cncc3nc[nH]c32)s1 ZINC001241414029 968997440 /nfs/dbraw/zinc/99/74/40/968997440.db2.gz PONQCWWUCICFME-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)C[C@@H]1F ZINC001252839576 969032833 /nfs/dbraw/zinc/03/28/33/969032833.db2.gz LHTLMYKKZKCSFY-ICCXJUOJSA-N 0 1 241.281 2.149 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCC[C@@H]1C1CC1 ZINC001252876064 969041770 /nfs/dbraw/zinc/04/17/70/969041770.db2.gz IGDFFCUQPGMBCA-GFCCVEGCSA-N 0 1 245.326 2.302 20 0 BEADMN COC(=O)[C@@]1(C)CCC[N@H+]1CC[C@@H](C)SC ZINC001208137297 969049735 /nfs/dbraw/zinc/04/97/35/969049735.db2.gz DNQYDJKOIDBDBP-ZYHUDNBSSA-N 0 1 245.388 2.156 20 0 BEADMN COc1cc(C)cc(C2=CCCN(C)C2)n1 ZINC001241565603 969052712 /nfs/dbraw/zinc/05/27/12/969052712.db2.gz MXFYCJGBLHWNSQ-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CCCNc1nc(C2=CCCN(C)C2)ncc1C ZINC001241565344 969053370 /nfs/dbraw/zinc/05/33/70/969053370.db2.gz JCIPOUBQNLKNKM-UHFFFAOYSA-N 0 1 246.358 2.326 20 0 BEADMN CS[C@H](C)CCN(C)Cc1cnccn1 ZINC001208148463 969072178 /nfs/dbraw/zinc/07/21/78/969072178.db2.gz UAHSKHDTXBSHTE-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN COC(=O)[C@H](C(C)C)N(C)CC[C@@H](C)SC ZINC001208154748 969078450 /nfs/dbraw/zinc/07/84/50/969078450.db2.gz NQPRCLVEMUMYAY-MNOVXSKESA-N 0 1 247.404 2.257 20 0 BEADMN COC(=O)[C@H](C(C)C)N(C)CC[C@H](C)SC ZINC001208154749 969081518 /nfs/dbraw/zinc/08/15/18/969081518.db2.gz NQPRCLVEMUMYAY-QWRGUYRKSA-N 0 1 247.404 2.257 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCCC1CC1 ZINC000406062169 969090115 /nfs/dbraw/zinc/09/01/15/969090115.db2.gz MZTQKYPWBSHTCU-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1nnc(-c2nc3cccc(C)c3[nH]2)o1 ZINC001253382518 969145827 /nfs/dbraw/zinc/14/58/27/969145827.db2.gz NDIXDRRSSTWGHC-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCN1CC[C@@H]1CNC(=S)Nc1ccccc1 ZINC000712282876 969154677 /nfs/dbraw/zinc/15/46/77/969154677.db2.gz ICUMIKCJGGTOFM-GFCCVEGCSA-N 0 1 249.383 2.067 20 0 BEADMN Cc1cc(-c2nc(F)nc3nc[nH]c32)cc(C)n1 ZINC001241987728 969156131 /nfs/dbraw/zinc/15/61/31/969156131.db2.gz NLMNYOKHELKXSN-UHFFFAOYSA-N 0 1 243.245 2.171 20 0 BEADMN Cc1nnc(-c2cc(O)c(F)c(F)c2)o1 ZINC001253470629 969186387 /nfs/dbraw/zinc/18/63/87/969186387.db2.gz FBNXOYATHAFIBM-UHFFFAOYSA-N 0 1 212.155 2.029 20 0 BEADMN CCCCC[C@H](O)CN1CCc2cnccc2C1 ZINC001253516744 969196075 /nfs/dbraw/zinc/19/60/75/969196075.db2.gz BFYUICGIKGNNPQ-HNNXBMFYSA-N 0 1 248.370 2.381 20 0 BEADMN CCCCC[C@H](O)CNCc1cscn1 ZINC001253517748 969196621 /nfs/dbraw/zinc/19/66/21/969196621.db2.gz HJLSKACDBJACSS-NSHDSACASA-N 0 1 228.361 2.174 20 0 BEADMN C[C@@H](CN(C)CCF)OCc1ccccc1 ZINC001208707133 969199420 /nfs/dbraw/zinc/19/94/20/969199420.db2.gz QUQKMKDVOSTADQ-LBPRGKRZSA-N 0 1 225.307 2.493 20 0 BEADMN CCCCC[C@H](O)CN1CCOCC1(C)C ZINC001253533215 969207258 /nfs/dbraw/zinc/20/72/58/969207258.db2.gz PNOWFOIGHPDUCE-LBPRGKRZSA-N 0 1 229.364 2.038 20 0 BEADMN C[C@H](NCc1ccnc(F)c1)c1cccnc1 ZINC001168785237 969214818 /nfs/dbraw/zinc/21/48/18/969214818.db2.gz JGVPCUXQFNFFDQ-JTQLQIEISA-N 0 1 231.274 2.467 20 0 BEADMN CCCCC[C@@H](O)CN1CC(C(F)F)C1 ZINC001253541351 969217584 /nfs/dbraw/zinc/21/75/84/969217584.db2.gz LRKUGIUFCZRTKP-SNVBAGLBSA-N 0 1 221.291 2.125 20 0 BEADMN CCCCC[C@@H](O)CN(C)Cc1ccno1 ZINC001253543335 969218073 /nfs/dbraw/zinc/21/80/73/969218073.db2.gz ZBROTAXSOLPIOF-LLVKDONJSA-N 0 1 226.320 2.048 20 0 BEADMN CCCCC[C@H](O)CN[C@@H](C)c1cc[nH]n1 ZINC001253553882 969227702 /nfs/dbraw/zinc/22/77/02/969227702.db2.gz MKCSHYWNBCYQKU-QWRGUYRKSA-N 0 1 225.336 2.002 20 0 BEADMN CC(C)Oc1ncccc1CCN1CCC1 ZINC001208789053 969239711 /nfs/dbraw/zinc/23/97/11/969239711.db2.gz UHYBWHDRZHLVJZ-UHFFFAOYSA-N 0 1 220.316 2.117 20 0 BEADMN CCc1ncsc1NC1=CCN(C)CC1 ZINC001208839214 969248704 /nfs/dbraw/zinc/24/87/04/969248704.db2.gz YYBCHFAITANIBQ-UHFFFAOYSA-N 0 1 223.345 2.337 20 0 BEADMN F[C@H]1CSC2(CN(C[C@@H]3CCC=CO3)C2)C1 ZINC001208882108 969267059 /nfs/dbraw/zinc/26/70/59/969267059.db2.gz IDEORFFAVMOAPX-MNOVXSKESA-N 0 1 243.347 2.209 20 0 BEADMN c1cnc([C@@H]2CCCN2C[C@H]2CCC=CO2)cn1 ZINC001208881619 969269168 /nfs/dbraw/zinc/26/91/68/969269168.db2.gz YMVKDBBBOBUKGN-OCCSQVGLSA-N 0 1 245.326 2.306 20 0 BEADMN C[C@@H](CN1CC2(C1)CCCOC2)C(F)(F)F ZINC001208895266 969280520 /nfs/dbraw/zinc/28/05/20/969280520.db2.gz GXPKYOYANPXVOA-VIFPVBQESA-N 0 1 237.265 2.297 20 0 BEADMN CCC(=O)C(C)(C)C[N@H+]1CC[C@H](F)C1 ZINC001208918981 969305145 /nfs/dbraw/zinc/30/51/45/969305145.db2.gz SJZDQSDZMRVLJO-VIFPVBQESA-N 0 1 201.285 2.036 20 0 BEADMN CCOc1ccc(-n2c(C)cnc2CN)cc1C ZINC001169028845 969348536 /nfs/dbraw/zinc/34/85/36/969348536.db2.gz HKOWFKGDZWGRNO-UHFFFAOYSA-N 0 1 245.326 2.347 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(OC(C)C)cc1 ZINC001169029832 969349026 /nfs/dbraw/zinc/34/90/26/969349026.db2.gz ZMRWQJLRVMPHOA-UHFFFAOYSA-N 0 1 245.326 2.427 20 0 BEADMN C[C@@H]1CN(CC2Cc3ccccc3C2)CCC1=O ZINC001209320158 969441218 /nfs/dbraw/zinc/44/12/18/969441218.db2.gz RHFQROCALUSEJS-GFCCVEGCSA-N 0 1 243.350 2.312 20 0 BEADMN O=C1CCN(CC2Cc3ccccc3C2)CC1 ZINC001209319729 969441763 /nfs/dbraw/zinc/44/17/63/969441763.db2.gz PJYZJRWRLQFZKH-UHFFFAOYSA-N 0 1 229.323 2.066 20 0 BEADMN CS[C@H]1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC001254018660 969449303 /nfs/dbraw/zinc/44/93/03/969449303.db2.gz NOMGHCJHWMITDB-NEPJUHHUSA-N 0 1 239.388 2.136 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCC(F)(F)[C@H](F)C1 ZINC001209418628 969482835 /nfs/dbraw/zinc/48/28/35/969482835.db2.gz QXVMINQPTJVBBO-IWSPIJDZSA-N 0 1 207.239 2.322 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCC(F)(F)[C@@H](F)C1 ZINC001209418626 969484480 /nfs/dbraw/zinc/48/44/80/969484480.db2.gz QXVMINQPTJVBBO-HLTSFMKQSA-N 0 1 207.239 2.322 20 0 BEADMN Cc1cn(C)nc1CN[C@@H](C)Cc1ccco1 ZINC000723523600 969501744 /nfs/dbraw/zinc/50/17/44/969501744.db2.gz BLSBKQWPWKIWDO-NSHDSACASA-N 0 1 233.315 2.042 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@H]1CCC[C@@H](O)C1 ZINC001169251299 969540226 /nfs/dbraw/zinc/54/02/26/969540226.db2.gz OBILEAJJMBTJKF-NWDGAFQWSA-N 0 1 249.358 2.171 20 0 BEADMN C[C@H]1COCCN1C1CCC(F)(F)CC1 ZINC001254218751 969545785 /nfs/dbraw/zinc/54/57/85/969545785.db2.gz SKEYCPWNUFCCCI-VIFPVBQESA-N 0 1 219.275 2.285 20 0 BEADMN Cc1ccc(CN(CCO)Cc2ccccc2)[nH]1 ZINC001209566408 969548934 /nfs/dbraw/zinc/54/89/34/969548934.db2.gz LQYNDRYKLZSZST-UHFFFAOYSA-N 0 1 244.338 2.318 20 0 BEADMN Cc1cc(Cl)ncc1CN(C)[C@@H]1CCOC1 ZINC001209636947 969568540 /nfs/dbraw/zinc/56/85/40/969568540.db2.gz MDNHAHGRKFLZKA-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN Nc1ccncc1CN1CCCCC(F)(F)C1 ZINC001209727116 969582308 /nfs/dbraw/zinc/58/23/08/969582308.db2.gz JRXNTIYUMGBAPV-UHFFFAOYSA-N 0 1 241.285 2.115 20 0 BEADMN CN(Cc1ccccc1F)Cc1cnccc1N ZINC001209734477 969597629 /nfs/dbraw/zinc/59/76/29/969597629.db2.gz QSNMQCDEKCLDIP-UHFFFAOYSA-N 0 1 245.301 2.265 20 0 BEADMN Fc1cccc2c1CCN([C@@H]1CCCOC1)C2 ZINC001254387138 969602022 /nfs/dbraw/zinc/60/20/22/969602022.db2.gz ZWBMVPONXQNZGZ-GFCCVEGCSA-N 0 1 235.302 2.363 20 0 BEADMN Cc1ccc2nc(N)n(-c3ncccc3F)c2c1 ZINC001209805217 969629611 /nfs/dbraw/zinc/62/96/11/969629611.db2.gz QOGXZNDCKLEXLU-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN c1nc2ccc(Nc3ccncn3)cc2[nH]1 ZINC001209841575 969652408 /nfs/dbraw/zinc/65/24/08/969652408.db2.gz VYPXXFYLOKPTAI-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1nc2ccc(Nc3cccnn3)cc2[nH]1 ZINC001209841412 969653459 /nfs/dbraw/zinc/65/34/59/969653459.db2.gz NLQNEXJOSIKKDX-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN OCc1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209843896 969654978 /nfs/dbraw/zinc/65/49/78/969654978.db2.gz JBYNCLIONXESNZ-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COc1cc(Nc2ccc3nc[nH]c3c2)ncn1 ZINC001209842839 969657499 /nfs/dbraw/zinc/65/74/99/969657499.db2.gz QQCXRMGBXNFIPL-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cc(N)ncc1Nc1cncnc1Cl ZINC001209966782 969707230 /nfs/dbraw/zinc/70/72/30/969707230.db2.gz FQFZZIOOYWAVCC-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1nocc1Nc1cnc(N)cc1C ZINC001209964918 969709061 /nfs/dbraw/zinc/70/90/61/969709061.db2.gz HNMOFAPMTNZSOD-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN Cc1cccnc1Nc1cnc(N)cc1C ZINC001209961365 969719635 /nfs/dbraw/zinc/71/96/35/969719635.db2.gz GISOEWPTDWFUGQ-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(Cl)nc1 ZINC001209962572 969723345 /nfs/dbraw/zinc/72/33/45/969723345.db2.gz XFRNTHBMQRJGPV-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(F)c(F)c1 ZINC001209965526 969726580 /nfs/dbraw/zinc/72/65/80/969726580.db2.gz DZJTZYRHQGUDKO-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN COc1ncc(Nc2cnc(N)cc2C)cc1F ZINC001209964748 969726878 /nfs/dbraw/zinc/72/68/78/969726878.db2.gz CEKMISABURFVFF-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN Cc1cc(N)ncc1Nc1nccs1 ZINC001209962655 969726987 /nfs/dbraw/zinc/72/69/87/969726987.db2.gz YAKKKJPASWSIEM-UHFFFAOYSA-N 0 1 206.274 2.172 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(O)cc1 ZINC001209966057 969729314 /nfs/dbraw/zinc/72/93/14/969729314.db2.gz QJRVFCCQYUMTCZ-UHFFFAOYSA-N 0 1 215.256 2.421 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc2c(c1)OCO2 ZINC001209966100 969732128 /nfs/dbraw/zinc/73/21/28/969732128.db2.gz SXTPRJJIMZCDFR-UHFFFAOYSA-N 0 1 243.266 2.445 20 0 BEADMN Cc1cc(Nc2ccnc(CO)c2)ccc1O ZINC001209974038 969738936 /nfs/dbraw/zinc/73/89/36/969738936.db2.gz LIKSXWLMPKZNIV-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN Cc1cc(Nc2cncn2C)ccc1O ZINC001209973747 969739401 /nfs/dbraw/zinc/73/94/01/969739401.db2.gz HAPCEOJWTRRJRA-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN Cn1cncc1Nc1ccc(F)cc1O ZINC001210016281 969760877 /nfs/dbraw/zinc/76/08/77/969760877.db2.gz HNWHLRMUHIGGFY-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN C[C@@H](N[C@H]1CC2CCN(CC2)C1)C(F)(F)F ZINC001254835648 969794615 /nfs/dbraw/zinc/79/46/15/969794615.db2.gz IAVHHLJKQXUMIP-SCZZXKLOSA-N 0 1 236.281 2.011 20 0 BEADMN FC1(F)CCC[C@H]1N[C@@H]1CC2CCN(CC2)C1 ZINC001254849154 969807020 /nfs/dbraw/zinc/80/70/20/969807020.db2.gz RILPATTXGDZUSW-VXGBXAGGSA-N 0 1 244.329 2.248 20 0 BEADMN O=C1C[C@@H]2CC(N3Cc4cccnc4C3)C[C@H]2C1 ZINC001254945429 969832810 /nfs/dbraw/zinc/83/28/10/969832810.db2.gz HWFSUZHGHSBOGD-RYUDHWBXSA-N 0 1 242.322 2.155 20 0 BEADMN O=C1C[C@H]2CC(N3Cc4ccncc4C3)C[C@@H]2C1 ZINC001254954557 969836620 /nfs/dbraw/zinc/83/66/20/969836620.db2.gz REWMDXJBEZJBRE-VXGBXAGGSA-N 0 1 242.322 2.155 20 0 BEADMN Cc1ncn(-c2cccc3ccncc32)c1N ZINC001210226104 969837567 /nfs/dbraw/zinc/83/75/67/969837567.db2.gz ROBKNXBLRKDCLP-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254962044 969842490 /nfs/dbraw/zinc/84/24/90/969842490.db2.gz ZWLIUDUMKSYAHN-JLNYLFASSA-N 0 1 249.354 2.188 20 0 BEADMN O=C1CCN(C2Cc3ccccc3C2)CC[C@@H]1F ZINC001255018939 969848988 /nfs/dbraw/zinc/84/89/88/969848988.db2.gz DGBWWJSTXNXVGG-AWEZNQCLSA-N 0 1 247.313 2.157 20 0 BEADMN CC(C)OC1CN(C2Cc3ccccc3C2)C1 ZINC001255026564 969850594 /nfs/dbraw/zinc/85/05/94/969850594.db2.gz YGILYEJCQDTFDR-UHFFFAOYSA-N 0 1 231.339 2.263 20 0 BEADMN COc1cc(Nc2cnc(C)c(N)c2)ncc1C ZINC001210288063 969857431 /nfs/dbraw/zinc/85/74/31/969857431.db2.gz JFQBIVGARPGTDW-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)s1 ZINC001204030224 969887220 /nfs/dbraw/zinc/88/72/20/969887220.db2.gz ZYGWILUBLPFVQL-QWRGUYRKSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(CN2C[C@@H](F)C[C@H](CO)C2)s1 ZINC001204030224 969887221 /nfs/dbraw/zinc/88/72/21/969887221.db2.gz ZYGWILUBLPFVQL-QWRGUYRKSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@H](F)C[C@@H](CO)C2)s1 ZINC001204030222 969888238 /nfs/dbraw/zinc/88/82/38/969888238.db2.gz ZYGWILUBLPFVQL-GHMZBOCLSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@@H](CO)C2)s1 ZINC001204030222 969888240 /nfs/dbraw/zinc/88/82/40/969888240.db2.gz ZYGWILUBLPFVQL-GHMZBOCLSA-N 0 1 243.347 2.209 20 0 BEADMN CC(C)n1cc(-c2cncc3nc[nH]c32)cn1 ZINC001242435565 969932289 /nfs/dbraw/zinc/93/22/89/969932289.db2.gz JGTODRRBVHAUIQ-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC(C)n1cc(-c2cncc3[nH]cnc32)cn1 ZINC001242435565 969932293 /nfs/dbraw/zinc/93/22/93/969932293.db2.gz JGTODRRBVHAUIQ-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CCc1nnc(-c2ccc(F)cc2O)o1 ZINC001255131972 969948126 /nfs/dbraw/zinc/94/81/26/969948126.db2.gz JQTIJTUAVXNVOB-UHFFFAOYSA-N 0 1 208.192 2.144 20 0 BEADMN CCc1nnc(-c2c(O)ccc(F)c2F)o1 ZINC001255138038 969949456 /nfs/dbraw/zinc/94/94/56/969949456.db2.gz HCFRQRIQMMDPCF-UHFFFAOYSA-N 0 1 226.182 2.283 20 0 BEADMN C[C@H](O)c1ccc(Nc2cncn2C)cc1 ZINC001210642821 969991784 /nfs/dbraw/zinc/99/17/84/969991784.db2.gz VOESVMRMENCMLX-VIFPVBQESA-N 0 1 217.272 2.217 20 0 BEADMN Cn1cncc1Nc1ccnc(OC2CC2)c1 ZINC001210746984 970013483 /nfs/dbraw/zinc/01/34/83/970013483.db2.gz AMPHPUUKHCTZOQ-UHFFFAOYSA-N 0 1 230.271 2.100 20 0 BEADMN CC(=O)c1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001242610352 970014990 /nfs/dbraw/zinc/01/49/90/970014990.db2.gz IOWVMEFKJYMWHG-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC(=O)c1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001242610352 970014995 /nfs/dbraw/zinc/01/49/95/970014995.db2.gz IOWVMEFKJYMWHG-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CCCN(C)c1nc2[nH]cnc2cc1Cl ZINC001156877753 970020002 /nfs/dbraw/zinc/02/00/02/970020002.db2.gz ITTKGLJYTZRZKG-UHFFFAOYSA-N 0 1 224.695 2.458 20 0 BEADMN Cc1ncn(-c2cccc(O)c2Cl)c1N ZINC001210853784 970054315 /nfs/dbraw/zinc/05/43/15/970054315.db2.gz JUXNAXRIQRLKHW-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN COc1c(F)cc(F)cc1-n1cnc(C)c1N ZINC001210867695 970058338 /nfs/dbraw/zinc/05/83/38/970058338.db2.gz ICFPAEBKWBHDNU-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CCSC1 ZINC001255295004 970058446 /nfs/dbraw/zinc/05/84/46/970058446.db2.gz QXSXYALPSPNZRE-DCAQKATOSA-N 0 1 245.388 2.011 20 0 BEADMN C/C=C(\C)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001242760854 970059892 /nfs/dbraw/zinc/05/98/92/970059892.db2.gz YVHAPYOVRJJUEH-XVNBXDOJSA-N 0 1 218.235 2.429 20 0 BEADMN CCCC[C@@H](C)N1CC(=O)N(CC)C[C@H]1C ZINC001255332244 970116506 /nfs/dbraw/zinc/11/65/06/970116506.db2.gz LKDYRYCVXSGLEJ-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN COc1cc(C)ccc1Nc1cncn1C ZINC001211115125 970151196 /nfs/dbraw/zinc/15/11/96/970151196.db2.gz FDVQOGVIDVWLEA-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN COc1ccc(-c2nccc3[nH]cnc32)c(C)n1 ZINC001242924553 970151982 /nfs/dbraw/zinc/15/19/82/970151982.db2.gz DNHZXLZUCBDRBI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(-c2[nH]ccc3ncnc2-3)c(C)n1 ZINC001242924553 970151995 /nfs/dbraw/zinc/15/19/95/970151995.db2.gz DNHZXLZUCBDRBI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)CCC[C@H](C)N1C[C@@H](O)[C@@H](F)C1 ZINC001170078084 970179940 /nfs/dbraw/zinc/17/99/40/970179940.db2.gz PJFBBZHHASWPDV-SDDRHHMPSA-N 0 1 217.328 2.216 20 0 BEADMN OCc1cc(Nc2ccc(F)c(O)c2)ccn1 ZINC001211215098 970175851 /nfs/dbraw/zinc/17/58/51/970175851.db2.gz PUCDWOLYCSVBDQ-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN Cn1cncc1Nc1ncnc2sccc21 ZINC001211244772 970189745 /nfs/dbraw/zinc/18/97/45/970189745.db2.gz DJOHOYFBSLYNAM-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN Cn1cncc1Nc1cc(Cl)nnc1Cl ZINC001211246015 970190682 /nfs/dbraw/zinc/19/06/82/970190682.db2.gz XWAYSMLQJFVHQB-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN Cc1cc(Nc2cncn2C)n(C2CCC2)n1 ZINC001211247083 970193337 /nfs/dbraw/zinc/19/33/37/970193337.db2.gz HZKSSHJSTGWCGD-UHFFFAOYSA-N 0 1 231.303 2.394 20 0 BEADMN Cn1cncc1Nc1ccnc(Cl)c1F ZINC001211246462 970193531 /nfs/dbraw/zinc/19/35/31/970193531.db2.gz BNKXFQUCPDRWAI-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN Cn1cncc1Nc1ncc(F)cc1Cl ZINC001211247363 970193649 /nfs/dbraw/zinc/19/36/49/970193649.db2.gz WXOVLFDGFLKOOZ-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN CC(=O)NC1CN([C@H](C)CCCC(C)C)C1 ZINC001170084121 970197823 /nfs/dbraw/zinc/19/78/23/970197823.db2.gz UFYFNASVCUZVHZ-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cn(-c2cncn2C)c2cccc(N)c12 ZINC001211252114 970198630 /nfs/dbraw/zinc/19/86/30/970198630.db2.gz AJKLLKAIANUHEF-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN COc1c(F)c(F)ccc1Nc1cncn1C ZINC001211253317 970198954 /nfs/dbraw/zinc/19/89/54/970198954.db2.gz FZACFASRRGFTDK-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1cc2ccc(N)cc2n1-c1cncn1C ZINC001211253210 970198970 /nfs/dbraw/zinc/19/89/70/970198970.db2.gz AMZFCKHKMDJBSC-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN Cc1cc(Nc2cncn2C)cc2snnc21 ZINC001211252246 970199008 /nfs/dbraw/zinc/19/90/08/970199008.db2.gz HGPPDABCWUDHNY-UHFFFAOYSA-N 0 1 245.311 2.477 20 0 BEADMN CC(=O)[C@@H](N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001255469971 970199878 /nfs/dbraw/zinc/19/98/78/970199878.db2.gz HNSXLISGQYMJRN-HUUCEWRRSA-N 0 1 246.354 2.001 20 0 BEADMN Cn1cncc1Nc1cc(F)cc(F)c1O ZINC001211253271 970200079 /nfs/dbraw/zinc/20/00/79/970200079.db2.gz DARKJYYXWTXMFH-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CCc1cccnc1Nc1ccncc1OC ZINC001211259369 970201964 /nfs/dbraw/zinc/20/19/64/970201964.db2.gz AOWGKIUKMZZKAK-UHFFFAOYSA-N 0 1 229.283 2.213 20 0 BEADMN CCOc1cncc(Nc2ccncc2OC)c1 ZINC001211259686 970204666 /nfs/dbraw/zinc/20/46/66/970204666.db2.gz MOVOHJXWIHGSLX-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN COc1ccc(Nc2ccncc2OC)cc1F ZINC001211262247 970208397 /nfs/dbraw/zinc/20/83/97/970208397.db2.gz DPCMOTBLPQJVCE-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN COc1cnccc1Nc1cccc2c1OCC2 ZINC001211263601 970210799 /nfs/dbraw/zinc/21/07/99/970210799.db2.gz WWJBYUISGQNJAY-UHFFFAOYSA-N 0 1 242.278 2.191 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001170087866 970223804 /nfs/dbraw/zinc/22/38/04/970223804.db2.gz MPEGSAYRWMVSTP-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCN(C#N)CC1 ZINC001170092043 970239548 /nfs/dbraw/zinc/23/95/48/970239548.db2.gz XWRCQQGHYHJIEZ-CYBMUJFWSA-N 0 1 223.364 2.300 20 0 BEADMN COc1cc(O)ccc1Nc1c(C)ncn1C ZINC001213094609 970278228 /nfs/dbraw/zinc/27/82/28/970278228.db2.gz JRQSYKXUYOGHDR-UHFFFAOYSA-N 0 1 233.271 2.186 20 0 BEADMN CCc1coc(CN[C@H]2CCOC(C)(C)C2)n1 ZINC001255523572 970284765 /nfs/dbraw/zinc/28/47/65/970284765.db2.gz FLLIUQLNQYMQQN-NSHDSACASA-N 0 1 238.331 2.284 20 0 BEADMN CCCOC1CN([C@H]2CCOC(C)(C)C2)C1 ZINC001255550386 970323708 /nfs/dbraw/zinc/32/37/08/970323708.db2.gz WDCDKKWKUHUONM-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CCN(CCn1ccnc1)c1ccc(C)c(C)n1 ZINC001157459591 970329270 /nfs/dbraw/zinc/32/92/70/970329270.db2.gz BOQZJWCSNNDLNW-UHFFFAOYSA-N 0 1 244.342 2.421 20 0 BEADMN COC[C@@H](C)N[C@@H]1COc2cc(Cl)ccc21 ZINC001255564941 970352077 /nfs/dbraw/zinc/35/20/77/970352077.db2.gz HTSNBDMVAMKEQE-LDYMZIIASA-N 0 1 241.718 2.398 20 0 BEADMN COC[C@H](C)N1CCC[C@H]1c1cc(C)on1 ZINC001255567755 970358998 /nfs/dbraw/zinc/35/89/98/970358998.db2.gz JQLQOCSCNJDIEN-CABZTGNLSA-N 0 1 224.304 2.155 20 0 BEADMN c1nnc(Nc2ccccc2N2CCCC2)o1 ZINC001213599762 970365167 /nfs/dbraw/zinc/36/51/67/970365167.db2.gz XGLOSFUPYBGDCX-UHFFFAOYSA-N 0 1 230.271 2.413 20 0 BEADMN Cc1ncn(-c2ccccc2N2CCCC2)c1N ZINC001213604150 970367759 /nfs/dbraw/zinc/36/77/59/970367759.db2.gz MWAYGOQQRTYAIS-UHFFFAOYSA-N 0 1 242.326 2.363 20 0 BEADMN CC(C)COc1cccc(-n2cncc2N)c1 ZINC001213638030 970369145 /nfs/dbraw/zinc/36/91/45/970369145.db2.gz UYFPWNHMPAQTKU-UHFFFAOYSA-N 0 1 231.299 2.489 20 0 BEADMN COC[C@H](C)N1CCc2ccc(C(C)=O)cc2C1 ZINC001255581792 970381530 /nfs/dbraw/zinc/38/15/30/970381530.db2.gz OBYDKWJYUYVOLS-NSHDSACASA-N 0 1 247.338 2.282 20 0 BEADMN CCCCCN1CCN(C(=O)CCCF)CC1 ZINC001113211879 970382462 /nfs/dbraw/zinc/38/24/62/970382462.db2.gz VOXMRYWLQVPZGC-UHFFFAOYSA-N 0 1 244.354 2.071 20 0 BEADMN COc1cccc(Nc2nonc2N)c1C1CC1 ZINC001213797305 970383739 /nfs/dbraw/zinc/38/37/39/970383739.db2.gz WUFVWHPMTYVHQU-UHFFFAOYSA-N 0 1 246.270 2.281 20 0 BEADMN Cn1cnc(Nc2c(Cl)ccc(F)c2F)n1 ZINC001213942787 970399961 /nfs/dbraw/zinc/39/99/61/970399961.db2.gz KMWIZMIBCZWCDQ-UHFFFAOYSA-N 0 1 244.632 2.490 20 0 BEADMN O=c1[nH]ccc2ccc(Nc3nnco3)cc21 ZINC001213951813 970403121 /nfs/dbraw/zinc/40/31/21/970403121.db2.gz ALZNIFIFCIBPGQ-UHFFFAOYSA-N 0 1 228.211 2.067 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H](CO)c1ccncc1 ZINC001255641761 970417165 /nfs/dbraw/zinc/41/71/65/970417165.db2.gz MXERTQZEBHZBPL-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](CC(F)(F)F)N(C)[C@H]1CCOC1 ZINC001255657412 970436653 /nfs/dbraw/zinc/43/66/53/970436653.db2.gz GWFUSXXPCNNQQJ-YUMQZZPRSA-N 0 1 211.227 2.048 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302450112 970438719 /nfs/dbraw/zinc/43/87/19/970438719.db2.gz CHVJVLHIWWHRCZ-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CC[C@@]12CCOC2 ZINC001255665606 970448820 /nfs/dbraw/zinc/44/88/20/970448820.db2.gz ZEMXGVBTRAVDSE-IUCAKERBSA-N 0 1 223.238 2.192 20 0 BEADMN CC(C)NCc1cn(CC2CCCCC2)nn1 ZINC000203555093 970469641 /nfs/dbraw/zinc/46/96/41/970469641.db2.gz SKAKGJYOXUOIBU-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN C[C@H]1CC[C@H](N2CC(Oc3cccnc3)C2)C1 ZINC001170153220 970471345 /nfs/dbraw/zinc/47/13/45/970471345.db2.gz OPOYJNTUBIVBEI-RYUDHWBXSA-N 0 1 232.327 2.333 20 0 BEADMN CCOc1cc(-n2cncc2N)ccc1C ZINC001214322931 970481565 /nfs/dbraw/zinc/48/15/65/970481565.db2.gz DRMBVTQIUSDBLF-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN Cc1ccc(O)cc1Nc1ccncc1 ZINC001214336827 970484507 /nfs/dbraw/zinc/48/45/07/970484507.db2.gz CZAVNCCMGVHTCM-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN Oc1cc(Cl)ccc1Nc1nnco1 ZINC001214400199 970494355 /nfs/dbraw/zinc/49/43/55/970494355.db2.gz WTQXJFVDABSHBP-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN CCc1coc(CN[C@H]2CCO[C@H](CC)C2)n1 ZINC001170161301 970501110 /nfs/dbraw/zinc/50/11/10/970501110.db2.gz NLNVDXLVOQTNSF-NWDGAFQWSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](Cc1ccccc1F)n1ccnc1CN ZINC001255829720 970502611 /nfs/dbraw/zinc/50/26/11/970502611.db2.gz MGRMDFUJTYGPGK-JTQLQIEISA-N 0 1 233.290 2.285 20 0 BEADMN COC(=O)c1cccc(Nc2nccn2C)c1F ZINC001214570416 970508845 /nfs/dbraw/zinc/50/88/45/970508845.db2.gz RUJDOSRAXZQTNR-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN C[C@@H](Cc1ccccc1F)[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001255854978 970523113 /nfs/dbraw/zinc/52/31/13/970523113.db2.gz SEXUBICOVQOCDZ-UBHSHLNASA-N 0 1 248.345 2.145 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(CO)cc1C ZINC001214661111 970526243 /nfs/dbraw/zinc/52/62/43/970526243.db2.gz KTTUMVPVITYQAR-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C(F)(F)F)ccc12 ZINC000180332107 970531663 /nfs/dbraw/zinc/53/16/63/970531663.db2.gz ADBNBZQKYWUPQE-UHFFFAOYSA-N 0 1 243.188 2.372 20 0 BEADMN Cn1ncc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214796217 970537632 /nfs/dbraw/zinc/53/76/32/970537632.db2.gz JUROFHRONLXDNS-UHFFFAOYSA-N 0 1 242.641 2.057 20 0 BEADMN O=C1SCC[C@@H]1NC1CCCCCC1 ZINC001255881052 970538780 /nfs/dbraw/zinc/53/87/80/970538780.db2.gz AYXMGAJWBKEFMS-JTQLQIEISA-N 0 1 213.346 2.331 20 0 BEADMN CC[C@H]1C[C@@H](N2CC3(C2)CCCCO3)CCO1 ZINC001170208119 970580848 /nfs/dbraw/zinc/58/08/48/970580848.db2.gz OSQWGBISARBPGN-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@@H]1C[C@@H](N2CCn3cccc3C2)CCO1 ZINC001170221144 970593089 /nfs/dbraw/zinc/59/30/89/970593089.db2.gz KDDNSFUFQAIJLS-GXTWGEPZSA-N 0 1 234.343 2.261 20 0 BEADMN CC(C)[C@@H](N)c1noc(CCC2CC2)n1 ZINC000400999253 970651725 /nfs/dbraw/zinc/65/17/25/970651725.db2.gz ZDPBQLWVEKXWOG-SNVBAGLBSA-N 0 1 209.293 2.068 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC1=CCCC1 ZINC000401101141 970659769 /nfs/dbraw/zinc/65/97/69/970659769.db2.gz FPYGCLSDIYBAPG-ZYHUDNBSSA-N 0 1 223.316 2.282 20 0 BEADMN COc1cccc(C[C@@H](C)N2CCO[C@@H](C)C2)c1 ZINC001256159139 970681580 /nfs/dbraw/zinc/68/15/80/970681580.db2.gz FVICSPYNFNAMOQ-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1ccnc(Cl)c1)[C@@H]1CCCOC1 ZINC000401496926 970699534 /nfs/dbraw/zinc/69/95/34/970699534.db2.gz VWBRTFUORLKTNF-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1cccc(CN[C@@H]2CCCc3n[nH]cc32)n1 ZINC000401766428 970725999 /nfs/dbraw/zinc/72/59/99/970725999.db2.gz YSNUQIDFENCOCN-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C(C)(C)CC)n[nH]1 ZINC001327447200 972576536 /nfs/dbraw/zinc/57/65/36/972576536.db2.gz LTBCKTMPJOTOAD-MRVPVSSYSA-N 0 1 239.319 2.408 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1C[C@H]2CC[C@@H]1C2 ZINC001144340751 972779404 /nfs/dbraw/zinc/77/94/04/972779404.db2.gz QPHFMMAJEJKRFP-CMPLNLGQSA-N 0 1 248.326 2.176 20 0 BEADMN C[C@@H](COc1ccccc1)OCc1cnc[nH]1 ZINC001223000291 972791525 /nfs/dbraw/zinc/79/15/25/972791525.db2.gz MXRMWSMDKDILBN-NSHDSACASA-N 0 1 232.283 2.394 20 0 BEADMN CCCC(=O)[C@@H](CCC)OCc1cnc[nH]1 ZINC001223000462 972796310 /nfs/dbraw/zinc/79/63/10/972796310.db2.gz NNEKPBXHRVIQLS-GFCCVEGCSA-N 0 1 224.304 2.464 20 0 BEADMN c1ncc(CO[C@H]2CCc3ccccc3C2)[nH]1 ZINC001223006529 972800087 /nfs/dbraw/zinc/80/00/87/972800087.db2.gz AFJQOTYOEUFNCD-AWEZNQCLSA-N 0 1 228.295 2.484 20 0 BEADMN CC(C)Oc1ncccc1COCc1cnc[nH]1 ZINC001223008015 972800396 /nfs/dbraw/zinc/80/03/96/972800396.db2.gz ULOYEYHRAPBTHV-UHFFFAOYSA-N 0 1 247.298 2.309 20 0 BEADMN Cc1ccc([C@@H](C)OCc2nn[nH]n2)c(C)c1 ZINC001223026728 972804748 /nfs/dbraw/zinc/80/47/48/972804748.db2.gz HIYPCSDSWLBNHR-SNVBAGLBSA-N 0 1 232.287 2.094 20 0 BEADMN CC(C)(C)[C@H]1CC[C@@H](OCc2nn[nH]n2)CC1 ZINC001223026547 972805266 /nfs/dbraw/zinc/80/52/66/972805266.db2.gz APFJIEPPUMJVSU-AOOOYVTPSA-N 0 1 238.335 2.321 20 0 BEADMN CCCCC[C@H](CC)OCc1nn[nH]n1 ZINC001223030312 972807629 /nfs/dbraw/zinc/80/76/29/972807629.db2.gz VRNPZJPWSTWDRT-VIFPVBQESA-N 0 1 212.297 2.075 20 0 BEADMN C[C@@H](OCc1nn[nH]n1)c1csc(Cl)c1 ZINC001223028725 972809743 /nfs/dbraw/zinc/80/97/43/972809743.db2.gz CGCQFBROQGLZEW-RXMQYKEDSA-N 0 1 244.707 2.192 20 0 BEADMN CCCCCC[C@H](CC)OCc1nn[nH]n1 ZINC001223028272 972811693 /nfs/dbraw/zinc/81/16/93/972811693.db2.gz ZROVFDUUGMQIFB-JTQLQIEISA-N 0 1 226.324 2.465 20 0 BEADMN COc1ncc(CN2CCC[C@H]2C)cc1F ZINC001144451427 972826207 /nfs/dbraw/zinc/82/62/07/972826207.db2.gz VPOFSRPCBGGVOT-SECBINFHSA-N 0 1 224.279 2.214 20 0 BEADMN COc1ncc(CN2CCC[C@@H]2C)cc1F ZINC001144451428 972828526 /nfs/dbraw/zinc/82/85/26/972828526.db2.gz VPOFSRPCBGGVOT-VIFPVBQESA-N 0 1 224.279 2.214 20 0 BEADMN O=C1CCCN1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001328178392 972894242 /nfs/dbraw/zinc/89/42/42/972894242.db2.gz VDUNZNOXRFQQBQ-OLZOCXBDSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664219 972927820 /nfs/dbraw/zinc/92/78/20/972927820.db2.gz APERRWVGVCGSIG-HTQZYQBOSA-N 0 1 243.303 2.379 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H](F)C1 ZINC001144677494 972932669 /nfs/dbraw/zinc/93/26/69/972932669.db2.gz SDKYRPMDBDKUGN-QMMMGPOBSA-N 0 1 243.303 2.380 20 0 BEADMN CN(Cc1cccc2cc[nH]c21)C1(C)COC1 ZINC001144717528 972955328 /nfs/dbraw/zinc/95/53/28/972955328.db2.gz VXXYSGYRECHVHW-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN CC(=O)c1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC001328425077 973047354 /nfs/dbraw/zinc/04/73/54/973047354.db2.gz SDPLYIXSQVVGIB-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN CC1(C)CCN(CN2CC3(CC3)CC2=O)CC1 ZINC001328636454 973214380 /nfs/dbraw/zinc/21/43/80/973214380.db2.gz XUMWQPKMYYXPCJ-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400071089 973249555 /nfs/dbraw/zinc/24/95/55/973249555.db2.gz HGRFDOBGMUCVNJ-SNVBAGLBSA-N 0 1 235.283 2.210 20 0 BEADMN FC1(F)CCN(CCOCC2CC2)CC1 ZINC001328671935 973250091 /nfs/dbraw/zinc/25/00/91/973250091.db2.gz IRLMTQBHMXBSMC-UHFFFAOYSA-N 0 1 219.275 2.144 20 0 BEADMN Cc1cc(C[N@H+](CCC(=O)[O-])C(C)C)sn1 ZINC000404436073 973725946 /nfs/dbraw/zinc/72/59/46/973725946.db2.gz CKYIACIWRDKJMB-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC001147855093 973782028 /nfs/dbraw/zinc/78/20/28/973782028.db2.gz WSOHRGZDHBZPTA-NXEZZACHSA-N 0 1 243.310 2.291 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)OCc1nnc[nH]1 ZINC001329455771 973782585 /nfs/dbraw/zinc/78/25/85/973782585.db2.gz SJNRVVPUNOSUKX-ZJUUUORDSA-N 0 1 237.303 2.064 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)OCc1nnc[nH]1 ZINC001329455766 973783124 /nfs/dbraw/zinc/78/31/24/973783124.db2.gz SJNRVVPUNOSUKX-NXEZZACHSA-N 0 1 237.303 2.064 20 0 BEADMN CCCC1CCN(C(=O)[C@@H]2CC[N@H+]2CC)CC1 ZINC001148621031 973876052 /nfs/dbraw/zinc/87/60/52/973876052.db2.gz YVGSXMOMSAXJQO-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC1CCN(C(=O)[C@@H]2CCN2CC)CC1 ZINC001148621031 973876057 /nfs/dbraw/zinc/87/60/57/973876057.db2.gz YVGSXMOMSAXJQO-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC1CCN(C(=O)[C@H]2CC[N@H+]2CC)CC1 ZINC001148621030 973876539 /nfs/dbraw/zinc/87/65/39/973876539.db2.gz YVGSXMOMSAXJQO-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC1CCN(C(=O)[C@H]2CCN2CC)CC1 ZINC001148621030 973876542 /nfs/dbraw/zinc/87/65/42/973876542.db2.gz YVGSXMOMSAXJQO-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN Fc1cccc2c1CC[C@@H](NCc1ncco1)C2 ZINC001171392663 973998748 /nfs/dbraw/zinc/99/87/48/973998748.db2.gz LTGISZANMWOICK-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN C[C@H]1CC[C@@H](c2nc(-c3cccnc3)no2)NC1 ZINC001247818689 974041097 /nfs/dbraw/zinc/04/10/97/974041097.db2.gz MHZXUNVUUWQJQU-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN CN1CC[C@H]2[C@@H]1CCN2c1c(F)cccc1F ZINC001277001687 974047183 /nfs/dbraw/zinc/04/71/83/974047183.db2.gz VKECHVYKYKUZOS-RYUDHWBXSA-N 0 1 238.281 2.248 20 0 BEADMN CC(=O)CC(C)(C)Nc1cccc2[nH]nnc21 ZINC001171499226 974083368 /nfs/dbraw/zinc/08/33/68/974083368.db2.gz KRJKYAGQMBZXLU-UHFFFAOYSA-N 0 1 232.287 2.128 20 0 BEADMN Cc1cccc2c1CC[C@H](N1C[C@H]3C[C@@H](C1)O3)C2 ZINC001171572759 974104814 /nfs/dbraw/zinc/10/48/14/974104814.db2.gz DTXZNFGPANVNBL-SOUVJXGZSA-N 0 1 243.350 2.325 20 0 BEADMN C[C@@H]1CN([C@@H]2Cc3cccc(F)c3C2)C[C@@H](C)O1 ZINC001171790773 974180700 /nfs/dbraw/zinc/18/07/00/974180700.db2.gz SEPHZGOISWUEIT-NQBHXWOUSA-N 0 1 249.329 2.402 20 0 BEADMN C[C@H]1CN([C@H]2Cc3cccc(F)c3C2)C[C@H](C)O1 ZINC001171807222 974200849 /nfs/dbraw/zinc/20/08/49/974200849.db2.gz SEPHZGOISWUEIT-GVXVVHGQSA-N 0 1 249.329 2.402 20 0 BEADMN Cc1nc(SCc2nnc[nH]2)sc1C ZINC001330277789 974203445 /nfs/dbraw/zinc/20/34/45/974203445.db2.gz NOYDPHFXMJMYGG-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN C[C@@H]1CN([C@H]2Cc3cccc(F)c3C2)[C@@H](C)CO1 ZINC001171809529 974205864 /nfs/dbraw/zinc/20/58/64/974205864.db2.gz KISALFCXULBWNT-LOWVWBTDSA-N 0 1 249.329 2.402 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)CCOC3)n[nH]1 ZINC001330298028 974215870 /nfs/dbraw/zinc/21/58/70/974215870.db2.gz BKVBQMKNTBNQEX-UHFFFAOYSA-N 0 1 243.310 2.403 20 0 BEADMN c1cc(CN2CC[C@H]3CCCO[C@H]3C2)ccn1 ZINC001204079991 974228096 /nfs/dbraw/zinc/22/80/96/974228096.db2.gz CCOJRBDZLMDGEM-KGLIPLIRSA-N 0 1 232.327 2.083 20 0 BEADMN CCN1CC[C@H](Oc2c(F)cccc2F)C1 ZINC001225207385 974233114 /nfs/dbraw/zinc/23/31/14/974233114.db2.gz PVPFNLHQCZYWDY-VIFPVBQESA-N 0 1 227.254 2.438 20 0 BEADMN COc1cncc(CNC(C)(C)CF)c1C ZINC001330587636 974336242 /nfs/dbraw/zinc/33/62/42/974336242.db2.gz AXKRYRNAVKDGHW-UHFFFAOYSA-N 0 1 226.295 2.236 20 0 BEADMN C[C@H]1c2ccc(F)cc2CCN1Cc1nnc[nH]1 ZINC001330670661 974398537 /nfs/dbraw/zinc/39/85/37/974398537.db2.gz GUCJANFLJZRLPH-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN CC[C@@](C)(NCc1nnc[nH]1)c1ccc(F)cc1 ZINC001330687805 974414081 /nfs/dbraw/zinc/41/40/81/974414081.db2.gz CXAXCBMXAAAWIL-CYBMUJFWSA-N 0 1 248.305 2.359 20 0 BEADMN CC(C)(C)ONC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001330688476 974421163 /nfs/dbraw/zinc/42/11/63/974421163.db2.gz MZDQIIYDKSXFDH-JTQLQIEISA-N 0 1 243.347 2.428 20 0 BEADMN FC1(F)CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)O2 ZINC001172220537 974450712 /nfs/dbraw/zinc/45/07/12/974450712.db2.gz MYPGQTHVGILNIE-GYIHNLGQSA-N 0 1 231.286 2.474 20 0 BEADMN CC1(C)C[C@@H](NCc2cnccc2Cl)CO1 ZINC001172267136 974485507 /nfs/dbraw/zinc/48/55/07/974485507.db2.gz YYJAGFFRVKENFX-SNVBAGLBSA-N 0 1 240.734 2.392 20 0 BEADMN CN(Cc1nccs1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241669 974507959 /nfs/dbraw/zinc/50/79/59/974507959.db2.gz FMHNTEUFTLYEPB-FGWVZKOKSA-N 0 1 236.340 2.061 20 0 BEADMN CCC1(CC)CN(Cc2cc(C)[nH]n2)C1 ZINC001330868504 974512921 /nfs/dbraw/zinc/51/29/21/974512921.db2.gz XWBSSHSHKUHEKC-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)NCc1ncco1 ZINC001172317421 974525800 /nfs/dbraw/zinc/52/58/00/974525800.db2.gz RCSWKIYRJOFZHV-GHMZBOCLSA-N 0 1 226.320 2.358 20 0 BEADMN Nc1cncn1-c1ccc(C2CCOCC2)cc1 ZINC001212651423 974533789 /nfs/dbraw/zinc/53/37/89/974533789.db2.gz KQIIXVUXDSMXBN-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)CCO[C@H](C)CC ZINC001172326159 974535945 /nfs/dbraw/zinc/53/59/45/974535945.db2.gz AOENJAQDMDXYHH-CHWSQXEVSA-N 0 1 229.388 2.065 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H](C)CCO[C@H](C)CC ZINC001172326159 974535950 /nfs/dbraw/zinc/53/59/50/974535950.db2.gz AOENJAQDMDXYHH-CHWSQXEVSA-N 0 1 229.388 2.065 20 0 BEADMN CC1(C)C[C@H](N2CCc3ncccc3C2)CO1 ZINC001172285726 974546440 /nfs/dbraw/zinc/54/64/40/974546440.db2.gz AHKRAZZNONKPFU-LBPRGKRZSA-N 0 1 232.327 2.007 20 0 BEADMN Cc1ncccc1CN(C)[C@@H]1COC(C)(C)C1 ZINC001172293824 974560538 /nfs/dbraw/zinc/56/05/38/974560538.db2.gz SBMITDNCZUPBJX-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC001331030001 974563991 /nfs/dbraw/zinc/56/39/91/974563991.db2.gz HXPDOWQVVBBPSC-OSMZGAPFSA-N 0 1 246.354 2.300 20 0 BEADMN COC1(C[N@H+]2Cc3ccc(O)cc3C2)CCC1 ZINC001331075815 974588498 /nfs/dbraw/zinc/58/84/98/974588498.db2.gz WRHCIGANARPBLD-UHFFFAOYSA-N 0 1 233.311 2.277 20 0 BEADMN COC1(CN2Cc3ccc(O)cc3C2)CCC1 ZINC001331075815 974588506 /nfs/dbraw/zinc/58/85/06/974588506.db2.gz WRHCIGANARPBLD-UHFFFAOYSA-N 0 1 233.311 2.277 20 0 BEADMN CN(Cc1nccn1C)CC1CC2(CCC2)C1 ZINC001331110000 974604794 /nfs/dbraw/zinc/60/47/94/974604794.db2.gz NBVYPOOJTCWKNX-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172363067 974636302 /nfs/dbraw/zinc/63/63/02/974636302.db2.gz ZXQIRVOXRKBPOA-REWJHTLYSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N(CC)CC(=O)OC ZINC001172362543 974636483 /nfs/dbraw/zinc/63/64/83/974636483.db2.gz UEZXTMBWZRTDGI-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CN1CC[C@H](Oc2nc3ccccc3s2)C1 ZINC001225692301 974646239 /nfs/dbraw/zinc/64/62/39/974646239.db2.gz BDVOBKZQYDOUIN-VIFPVBQESA-N 0 1 234.324 2.379 20 0 BEADMN CCN1CCC[C@H](Oc2c(O)cccc2F)C1 ZINC001225801474 974689335 /nfs/dbraw/zinc/68/93/35/974689335.db2.gz QNNZIIUJVAUVAX-JTQLQIEISA-N 0 1 239.290 2.394 20 0 BEADMN Oc1cccc(F)c1O[C@H]1CN2CCC1CC2 ZINC001225800732 974689385 /nfs/dbraw/zinc/68/93/85/974689385.db2.gz LZKBUPXRBIKCLB-LBPRGKRZSA-N 0 1 237.274 2.004 20 0 BEADMN Cc1c(C(=O)N[C@H]2CC2(C)C)ccc2cncn21 ZINC001331351529 974689903 /nfs/dbraw/zinc/68/99/03/974689903.db2.gz NMNQMGUFDUINQZ-LBPRGKRZSA-N 0 1 243.310 2.171 20 0 BEADMN CCCN(CC(=O)OCC)[C@@H](C)CCOCC ZINC001172434681 974722451 /nfs/dbraw/zinc/72/24/51/974722451.db2.gz ZZANGPQDLFUKOR-LBPRGKRZSA-N 0 1 245.363 2.077 20 0 BEADMN CO[C@H](CSc1nnc(C)[nH]1)CC(C)C ZINC001331451700 974726558 /nfs/dbraw/zinc/72/65/58/974726558.db2.gz FEEISJFWOAFHNL-VIFPVBQESA-N 0 1 229.349 2.266 20 0 BEADMN COc1ccc(O[C@H]2CCN(C)C2)c(F)c1F ZINC001225954773 974742692 /nfs/dbraw/zinc/74/26/92/974742692.db2.gz FVPQWOKXDGHEBZ-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN CC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1F ZINC001225967859 974745434 /nfs/dbraw/zinc/74/54/34/974745434.db2.gz ZMESKELXEYVTNB-LLVKDONJSA-N 0 1 237.274 2.111 20 0 BEADMN c1ccc(CN2CC(CC3CCOCC3)C2)nc1 ZINC001331579097 974769640 /nfs/dbraw/zinc/76/96/40/974769640.db2.gz HEHZZOLNPBMWFK-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CC(C)COCC[C@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172481593 974781236 /nfs/dbraw/zinc/78/12/36/974781236.db2.gz UBLCREATCBMQCA-BFHYXJOUSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCCC[C@H]2C)n1 ZINC001226156772 974811797 /nfs/dbraw/zinc/81/17/97/974811797.db2.gz QUBYBSUYLSQRQE-PSASIEDQSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCC[C@@H](C)C2)n1 ZINC001226156235 974811996 /nfs/dbraw/zinc/81/19/96/974811996.db2.gz KYYVJZMVYDIKFC-SCZZXKLOSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCC[C@@H]2C)n1 ZINC001226156553 974812447 /nfs/dbraw/zinc/81/24/47/974812447.db2.gz OHMUTKLOZHRCPJ-CBAPKCEASA-N 0 1 208.261 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2nccs2)n1 ZINC001226159719 974814012 /nfs/dbraw/zinc/81/40/12/974814012.db2.gz UKJUMVZNVMLQEY-SSDOTTSWSA-N 0 1 237.284 2.087 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226159406 974814401 /nfs/dbraw/zinc/81/44/01/974814401.db2.gz MAKLQPADSQJHEK-APPZFPTMSA-N 0 1 210.277 2.304 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccco2)n1 ZINC001226159592 974814413 /nfs/dbraw/zinc/81/44/13/974814413.db2.gz RADFVAVMKYZUBQ-MRVPVSSYSA-N 0 1 220.228 2.224 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccn2)n1 ZINC001226159778 974814467 /nfs/dbraw/zinc/81/44/67/974814467.db2.gz VWGQZDCOXNWERO-VIFPVBQESA-N 0 1 231.255 2.026 20 0 BEADMN Cc1ccc([C@@H](C)Oc2nc(C)cc(=O)[nH]2)cn1 ZINC001226157645 974814911 /nfs/dbraw/zinc/81/49/11/974814911.db2.gz CLKYQIVQCIOREX-SNVBAGLBSA-N 0 1 245.282 2.334 20 0 BEADMN CCN(C#N)CCN[C@H](C)c1cc(C)oc1C ZINC001331770378 974816334 /nfs/dbraw/zinc/81/63/34/974816334.db2.gz LFVXHMVKIYDRIO-LLVKDONJSA-N 0 1 235.331 2.350 20 0 BEADMN c1cnc2[nH]nc(OC3CCSCC3)c2c1 ZINC001226302106 974849548 /nfs/dbraw/zinc/84/95/48/974849548.db2.gz IDSWXVZILUMMDH-UHFFFAOYSA-N 0 1 235.312 2.232 20 0 BEADMN c1cnc2[nH]nc(OC[C@H]3CCC=CO3)c2c1 ZINC001226301430 974850594 /nfs/dbraw/zinc/85/05/94/974850594.db2.gz ZTOVFYLLYPPIAU-SECBINFHSA-N 0 1 231.255 2.029 20 0 BEADMN CC(C)[C@H](C)Oc1n[nH]c2ncccc12 ZINC001226303873 974852037 /nfs/dbraw/zinc/85/20/37/974852037.db2.gz XTIQDMPCDCTVFM-QMMMGPOBSA-N 0 1 205.261 2.381 20 0 BEADMN CCCOC[C@H](C)Oc1n[nH]c2ncccc12 ZINC001226303298 974852388 /nfs/dbraw/zinc/85/23/88/974852388.db2.gz SLYAPLXTXPZOCC-VIFPVBQESA-N 0 1 235.287 2.152 20 0 BEADMN COc1cccc([C@@H](C)Oc2nccc(=O)[nH]2)c1 ZINC001226324602 974855416 /nfs/dbraw/zinc/85/54/16/974855416.db2.gz RRYHAEDLAIFOQI-SECBINFHSA-N 0 1 246.266 2.331 20 0 BEADMN CC(C)[C@H](Oc1nccc(=O)[nH]1)C(F)(F)F ZINC001226324036 974855458 /nfs/dbraw/zinc/85/54/58/974855458.db2.gz GULQLCKDZUQYMI-ZETCQYMHSA-N 0 1 236.193 2.148 20 0 BEADMN CCCC(=O)[C@H](CCC)Oc1nccc(=O)[nH]1 ZINC001226324558 974857306 /nfs/dbraw/zinc/85/73/06/974857306.db2.gz PTBHTDKCNGTAPV-JTQLQIEISA-N 0 1 238.287 2.099 20 0 BEADMN C[C@H](COc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226323442 974857350 /nfs/dbraw/zinc/85/73/50/974857350.db2.gz DSINMXZSWBESPX-SNVBAGLBSA-N 0 1 246.266 2.029 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2ccncc2C)no1 ZINC001212668846 974867991 /nfs/dbraw/zinc/86/79/91/974867991.db2.gz ULBGFOKEZJKBID-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN OC1CN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172547131 974878748 /nfs/dbraw/zinc/87/87/48/974878748.db2.gz SPGJJHNPTJRTJN-ZIAGYGMSSA-N 0 1 231.339 2.389 20 0 BEADMN COC(=O)[C@@H]1CCC[C@H](N2CCC[C@H](F)C2)C1 ZINC001172616268 974888244 /nfs/dbraw/zinc/88/82/44/974888244.db2.gz KOSFUCNBCRFELF-WOPDTQHZSA-N 0 1 243.322 2.152 20 0 BEADMN CO[C@H](C)COc1cc(N)nc2ccccc21 ZINC001226418327 974892635 /nfs/dbraw/zinc/89/26/35/974892635.db2.gz KYCUULMYZRNJHT-SECBINFHSA-N 0 1 232.283 2.231 20 0 BEADMN CO[C@H]1CCC[C@H](N2CCn3cccc3C2)C1 ZINC001172934400 974988027 /nfs/dbraw/zinc/98/80/27/974988027.db2.gz AVVCKWIJGXHMHB-JSGCOSHPSA-N 0 1 234.343 2.261 20 0 BEADMN CC(C)Cn1nccc1CNC(C)(C)CF ZINC001332325372 975057841 /nfs/dbraw/zinc/05/78/41/975057841.db2.gz QOVBPGVTQHNZLI-UHFFFAOYSA-N 0 1 227.327 2.377 20 0 BEADMN CC(C)c1nc(CN[C@H]2C[C@H](CO)C2)cs1 ZINC001332350710 975066306 /nfs/dbraw/zinc/06/63/06/975066306.db2.gz ITTVMEJNYHUSBP-MGCOHNPYSA-N 0 1 240.372 2.127 20 0 BEADMN c1nc2ccc(O[C@@H]3C[NH+]4CCC3CC4)cc2[nH]1 ZINC001226928445 975154182 /nfs/dbraw/zinc/15/41/82/975154182.db2.gz KLVAZYHCZNSWAJ-CQSZACIVSA-N 0 1 243.310 2.036 20 0 BEADMN CCOC(=O)[C@H](CC)Oc1ccc2nc[nH]c2c1 ZINC001226928058 975156294 /nfs/dbraw/zinc/15/62/94/975156294.db2.gz DJDFYEUAIAQGIG-LBPRGKRZSA-N 0 1 248.282 2.283 20 0 BEADMN CC(C)OCCOc1ccc2nc[nH]c2c1 ZINC001226929080 975156686 /nfs/dbraw/zinc/15/66/86/975156686.db2.gz YBBBDUOEKUQBND-UHFFFAOYSA-N 0 1 220.272 2.367 20 0 BEADMN CC[C@H]1CC[C@H](N2CCc3cnn(C)c3C2)C1 ZINC001173296510 975183923 /nfs/dbraw/zinc/18/39/23/975183923.db2.gz UTJFMRIMEAXFBF-AAEUAGOBSA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@H](C)N1CCn2cccc2C1 ZINC001173304134 975206270 /nfs/dbraw/zinc/20/62/70/975206270.db2.gz FDHVATANEOTUKP-NSHDSACASA-N 0 1 224.373 2.445 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000824 975216528 /nfs/dbraw/zinc/21/65/28/975216528.db2.gz SPORGAXBWQWTSH-JGVFFNPUSA-N 0 1 226.276 2.004 20 0 BEADMN COc1nc(O[C@@H]2CCC[C@H](C)C2)cc(=O)[nH]1 ZINC001227000887 975216664 /nfs/dbraw/zinc/21/66/64/975216664.db2.gz UHMRNRULVGEEST-DTWKUNHWSA-N 0 1 238.287 2.148 20 0 BEADMN c1csc(OC2CCN(C3CC3)CC2)n1 ZINC001227036558 975227496 /nfs/dbraw/zinc/22/74/96/975227496.db2.gz RCFIGNQBXVAKQW-UHFFFAOYSA-N 0 1 224.329 2.149 20 0 BEADMN CC[C@@H]1CC[C@@H](n2nc(COC)c3c2CNC3)C1 ZINC001173278833 975233546 /nfs/dbraw/zinc/23/35/46/975233546.db2.gz FYPLDZJNHWHIBX-GHMZBOCLSA-N 0 1 249.358 2.384 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCn3cncc3C2)C1 ZINC001173286030 975248175 /nfs/dbraw/zinc/24/81/75/975248175.db2.gz CJSGNLUGJDWVGS-VXGBXAGGSA-N 0 1 219.332 2.277 20 0 BEADMN CN1CC[C@H](Oc2ncc(Cl)cc2Cl)C1 ZINC001227180492 975304933 /nfs/dbraw/zinc/30/49/33/975304933.db2.gz QEJCCQVNCACQFL-QMMMGPOBSA-N 0 1 247.125 2.471 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C1(C)C ZINC001332893781 975310926 /nfs/dbraw/zinc/31/09/26/975310926.db2.gz PKCDPHGVIWFASD-SNVBAGLBSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cc(C)nc(O[C@H]2CCC[N@H+](C)C2)c1 ZINC001227248446 975328904 /nfs/dbraw/zinc/32/89/04/975328904.db2.gz XFGQAMIDMWIDOR-LBPRGKRZSA-N 0 1 220.316 2.171 20 0 BEADMN C[C@@H](Oc1[nH]c(=O)nc2[nH]ccc21)C1CCC1 ZINC001227270372 975346736 /nfs/dbraw/zinc/34/67/36/975346736.db2.gz GKVUXSGMTZEKNN-SSDOTTSWSA-N 0 1 233.271 2.231 20 0 BEADMN CCC[C@@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271672 975347540 /nfs/dbraw/zinc/34/75/40/975347540.db2.gz ZYCQPXRDKIDOIM-SSDOTTSWSA-N 0 1 221.260 2.231 20 0 BEADMN Cn1cnc(C[N@H+]2CCC[C@](C)(F)CC2)c1 ZINC001206199155 975365067 /nfs/dbraw/zinc/36/50/67/975365067.db2.gz PZWFZOPCMUADPM-LBPRGKRZSA-N 0 1 225.311 2.134 20 0 BEADMN Cn1cnc(CN2CCC[C@](C)(F)CC2)c1 ZINC001206199155 975365071 /nfs/dbraw/zinc/36/50/71/975365071.db2.gz PZWFZOPCMUADPM-LBPRGKRZSA-N 0 1 225.311 2.134 20 0 BEADMN Cn1ccc(CNC/C=C/c2ccccc2)n1 ZINC000096513992 975419846 /nfs/dbraw/zinc/41/98/46/975419846.db2.gz GSGRAAGKJIPQPJ-VMPITWQZSA-N 0 1 227.311 2.223 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H]2CC23CCC3)cc1 ZINC000721259750 975504193 /nfs/dbraw/zinc/50/41/93/975504193.db2.gz XZHJOXBUOIPYFV-STQMWFEESA-N 0 1 244.338 2.054 20 0 BEADMN Cc1cc(CO)cc(Nc2ccnc(CO)c2)c1 ZINC001212753397 975556479 /nfs/dbraw/zinc/55/64/79/975556479.db2.gz PGJNJQCYBUCBHD-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)CC(C)C ZINC001227597849 975567591 /nfs/dbraw/zinc/56/75/91/975567591.db2.gz DJPDKWKJMHRTDR-ZETCQYMHSA-N 0 1 227.333 2.282 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCC(F)(F)C1 ZINC001227602861 975575607 /nfs/dbraw/zinc/57/56/07/975575607.db2.gz ZSDFYWMFCXPSQO-ZCFIWIBFSA-N 0 1 247.270 2.035 20 0 BEADMN CC[C@H](Oc1[nH]c(=S)nnc1C)C(C)C ZINC001227602677 975575837 /nfs/dbraw/zinc/57/58/37/975575837.db2.gz VIKQKXGCMPZTMX-QMMMGPOBSA-N 0 1 227.333 2.282 20 0 BEADMN CCOC(=O)c1nonc1Nc1ccsc1 ZINC001173820038 975599547 /nfs/dbraw/zinc/59/95/47/975599547.db2.gz OIHLIORIQIYVLK-UHFFFAOYSA-N 0 1 239.256 2.051 20 0 BEADMN C[C@H]1OCc2c1[nH]c(=O)nc2O[C@H]1C=CCCC1 ZINC001227715249 975634122 /nfs/dbraw/zinc/63/41/22/975634122.db2.gz ZTSNEDAHDHFDOJ-BDAKNGLRSA-N 0 1 248.282 2.261 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001227807162 975711148 /nfs/dbraw/zinc/71/11/48/975711148.db2.gz SNFVHAUKPLDDJR-QXFUBDJGSA-N 0 1 243.266 2.007 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@@H]2C=CCCC2)[nH]1 ZINC001227807128 975713076 /nfs/dbraw/zinc/71/30/76/975713076.db2.gz SAXPMPSVBAFDMY-MRVPVSSYSA-N 0 1 231.255 2.151 20 0 BEADMN COc1ccc(C[C@H](C)N(C)CC(C)=O)cc1 ZINC001333390892 975736090 /nfs/dbraw/zinc/73/60/90/975736090.db2.gz BAAOLMLMDKRURH-NSHDSACASA-N 0 1 235.327 2.147 20 0 BEADMN COc1nc(Nc2ccccc2F)cc(=O)[nH]1 ZINC001173848465 975751613 /nfs/dbraw/zinc/75/16/13/975751613.db2.gz TXMSQYWECXSKKJ-UHFFFAOYSA-N 0 1 235.218 2.074 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)c1cccc(F)c1O ZINC001333439743 975774576 /nfs/dbraw/zinc/77/45/76/975774576.db2.gz OAARYNYOUWCPKU-SECBINFHSA-N 0 1 235.258 2.370 20 0 BEADMN COc1cccc(Nc2ccnc(CO)c2)c1 ZINC001173823902 975838733 /nfs/dbraw/zinc/83/87/33/975838733.db2.gz CHVUHTKRCZQNEH-UHFFFAOYSA-N 0 1 230.267 2.326 20 0 BEADMN CC(C)c1ocnc1CN(C)Cc1cnc[nH]1 ZINC001333607454 975890324 /nfs/dbraw/zinc/89/03/24/975890324.db2.gz YWXKZJAFSDLNNR-UHFFFAOYSA-N 0 1 234.303 2.153 20 0 BEADMN Cc1cc(Nc2ccncc2)n(C(C)C)n1 ZINC001173879138 975911593 /nfs/dbraw/zinc/91/15/93/975911593.db2.gz HVBIVKILOIEJJH-UHFFFAOYSA-N 0 1 216.288 2.333 20 0 BEADMN Cc1cc(F)ncc1Nc1ccncc1 ZINC001173879408 975914647 /nfs/dbraw/zinc/91/46/47/975914647.db2.gz NPHMESVAEAAHRH-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN Cc1cn2cccc(Nc3ccncc3)c2n1 ZINC001173881889 975922524 /nfs/dbraw/zinc/92/25/24/975922524.db2.gz LFAGGHYFZRSUSO-UHFFFAOYSA-N 0 1 224.267 2.203 20 0 BEADMN COc1ccc(Cl)c(Nc2ccncc2)n1 ZINC001173881812 975923146 /nfs/dbraw/zinc/92/31/46/975923146.db2.gz BIKFLMSBEHXZJC-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN O=c1[nH]cc(Cl)cc1Nc1ccncc1 ZINC001173881584 975926787 /nfs/dbraw/zinc/92/67/87/975926787.db2.gz ZTVBLHIIKIWCAD-UHFFFAOYSA-N 0 1 221.647 2.001 20 0 BEADMN c1cc(Nc2ccncc2)n(C2CCC2)n1 ZINC001173882358 975930398 /nfs/dbraw/zinc/93/03/98/975930398.db2.gz OXBWSIRQDRICSZ-UHFFFAOYSA-N 0 1 214.272 2.169 20 0 BEADMN c1cc(Nc2ccc3nccnc3c2)ccn1 ZINC001173882212 975934521 /nfs/dbraw/zinc/93/45/21/975934521.db2.gz CCDMZDCUZQWDKN-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN CC(C)Cn1cnc(Nc2ccncc2)c1 ZINC001173882198 975936149 /nfs/dbraw/zinc/93/61/49/975936149.db2.gz KODABFVXQZTXAX-UHFFFAOYSA-N 0 1 216.288 2.100 20 0 BEADMN Nc1cc(F)c(F)cc1Nc1ccncc1 ZINC001173882458 975936663 /nfs/dbraw/zinc/93/66/63/975936663.db2.gz LQCHTQRJSCEUFS-UHFFFAOYSA-N 0 1 221.210 2.108 20 0 BEADMN Cc1ccc(Nc2ccncc2)cc1O ZINC001173883142 975938158 /nfs/dbraw/zinc/93/81/58/975938158.db2.gz ACKWFGBIFAIQMD-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN Nc1cc(F)cc(F)c1Nc1ccncc1 ZINC001173882729 975940950 /nfs/dbraw/zinc/94/09/50/975940950.db2.gz PWIAJARFXXAWAS-UHFFFAOYSA-N 0 1 221.210 2.108 20 0 BEADMN CC1(C)CCC([S@@](=O)Cc2nc[nH]n2)CC1 ZINC001333656659 975944208 /nfs/dbraw/zinc/94/42/08/975944208.db2.gz UGYBADOCXUHICR-INIZCTEOSA-N 0 1 241.360 2.022 20 0 BEADMN CCOc1ccc(N)cc1Nc1ccncc1 ZINC001173883062 975945135 /nfs/dbraw/zinc/94/51/35/975945135.db2.gz DYXVJMHOPPTNMT-UHFFFAOYSA-N 0 1 229.283 2.228 20 0 BEADMN c1cn(-c2ccccc2Nc2ccncc2)cn1 ZINC001173882806 975950068 /nfs/dbraw/zinc/95/00/68/975950068.db2.gz VIOPKERXFDAZQY-UHFFFAOYSA-N 0 1 236.278 2.433 20 0 BEADMN COc1cccc(Nc2ccncc2)c1F ZINC001173883571 975955577 /nfs/dbraw/zinc/95/55/77/975955577.db2.gz MZONBDJMWCVCBI-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN Cc1cc(C)c(N)c(Nc2ccncc2)c1 ZINC001173883362 975960735 /nfs/dbraw/zinc/96/07/35/975960735.db2.gz HAWWQQVIXDWNAA-UHFFFAOYSA-N 0 1 213.284 2.446 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1cnccc1N ZINC001333671083 975964337 /nfs/dbraw/zinc/96/43/37/975964337.db2.gz YIPZNNTUPDPNPC-SNVBAGLBSA-N 0 1 235.331 2.050 20 0 BEADMN c1cc2nnsc2c(Nc2ccncc2)c1 ZINC001173884152 975964943 /nfs/dbraw/zinc/96/49/43/975964943.db2.gz KDPZWSZQUOGMJQ-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN c1cc(Nc2ccc3ncncc3c2)ccn1 ZINC001173884813 975966202 /nfs/dbraw/zinc/96/62/02/975966202.db2.gz SOQXVTRGIBKUHS-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN O=c1[nH]c2cc(Nc3ccncc3)ccc2o1 ZINC001173884408 975967380 /nfs/dbraw/zinc/96/73/80/975967380.db2.gz HPOHJJFFQPFPLA-UHFFFAOYSA-N 0 1 227.223 2.094 20 0 BEADMN Cc1cc(CO)cc(Nc2ccncc2)c1 ZINC001173884559 975968597 /nfs/dbraw/zinc/96/85/97/975968597.db2.gz UNZBCDPDKFVVOP-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN C[C@H](O)c1ccccc1Nc1ccncc1 ZINC001173884751 975974364 /nfs/dbraw/zinc/97/43/64/975974364.db2.gz ZKWKWBFTHILSSS-JTQLQIEISA-N 0 1 214.268 2.300 20 0 BEADMN c1cc(Nc2ccc3c(c2)OCC3)ccn1 ZINC001173884954 975976052 /nfs/dbraw/zinc/97/60/52/975976052.db2.gz ZJVVPQVUKXALGD-UHFFFAOYSA-N 0 1 212.252 2.182 20 0 BEADMN COc1ccc(Nc2ccncc2)c(C(C)=O)c1 ZINC001173885423 975983951 /nfs/dbraw/zinc/98/39/51/975983951.db2.gz ZWBBTSNLEZIWGG-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN CCc1ccc(N)c(Nc2ccncc2)c1 ZINC001173884994 975985027 /nfs/dbraw/zinc/98/50/27/975985027.db2.gz BSZIVTKRCAGVJV-UHFFFAOYSA-N 0 1 213.284 2.392 20 0 BEADMN CCc1cc(CNCc2c(C)noc2CC)[nH]n1 ZINC001333722881 976034816 /nfs/dbraw/zinc/03/48/16/976034816.db2.gz BCKLRMHCACTYHC-UHFFFAOYSA-N 0 1 248.330 2.121 20 0 BEADMN CC(=O)c1cccnc1O[C@@H]1CCN(C(C)C)C1 ZINC001228288470 976059959 /nfs/dbraw/zinc/05/99/59/976059959.db2.gz RODYBPHUZLGENZ-GFCCVEGCSA-N 0 1 248.326 2.146 20 0 BEADMN FCCn1cc(CN2CC3(C2)CCCC3)cn1 ZINC001333762834 976066439 /nfs/dbraw/zinc/06/64/39/976066439.db2.gz AOFIMFVCRWAURQ-UHFFFAOYSA-N 0 1 237.322 2.229 20 0 BEADMN COCCCC1(CNCC(F)F)CCC1 ZINC001333764836 976070169 /nfs/dbraw/zinc/07/01/69/976070169.db2.gz OLROZOLDMJWFNC-UHFFFAOYSA-N 0 1 221.291 2.438 20 0 BEADMN OCc1cccc(Nc2ccncc2)c1Cl ZINC001212759725 976083033 /nfs/dbraw/zinc/08/30/33/976083033.db2.gz WDGRBFDUOPRJGH-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN Cn1cncc1Nc1cccc(F)c1F ZINC001173947061 976095776 /nfs/dbraw/zinc/09/57/76/976095776.db2.gz PUTARFFCBKFUPK-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN COc1ccc(F)cc1Nc1nccn1C ZINC001173953889 976117311 /nfs/dbraw/zinc/11/73/11/976117311.db2.gz YWJCZEXHCRDFMP-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN COC(=O)c1ncccc1NC1=CCCC1 ZINC001173996603 976133324 /nfs/dbraw/zinc/13/33/24/976133324.db2.gz HQKCIFKITLJVIW-UHFFFAOYSA-N 0 1 218.256 2.348 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)CCO2 ZINC001174009748 976173404 /nfs/dbraw/zinc/17/34/04/976173404.db2.gz NFQZHTHLKZAETM-UHFFFAOYSA-N 0 1 229.283 2.407 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228388141 976177222 /nfs/dbraw/zinc/17/72/22/976177222.db2.gz GOGLNEWYBIFOEN-HLTSFMKQSA-N 0 1 238.287 2.091 20 0 BEADMN CCCC[C@H](CC)Oc1nc(O)cc(=O)[nH]1 ZINC001228387645 976178095 /nfs/dbraw/zinc/17/80/95/976178095.db2.gz CXHGFHBIDWJJJF-QMMMGPOBSA-N 0 1 226.276 2.235 20 0 BEADMN C[C@@H]1CC(Oc2nc(O)cc(=O)[nH]2)C[C@@H](C)C1 ZINC001228388334 976179604 /nfs/dbraw/zinc/17/96/04/976179604.db2.gz HNRPMGQBLZRIJD-YUMQZZPRSA-N 0 1 238.287 2.091 20 0 BEADMN O=C(NC/C=C\C1CC1)c1cccc(F)c1O ZINC001333969014 976190529 /nfs/dbraw/zinc/19/05/29/976190529.db2.gz INLFEKHGXWNLMG-IHWYPQMZSA-N 0 1 235.258 2.227 20 0 BEADMN C/C(Cl)=C/C(=O)N1CCN(C(C)(C)C)CC1 ZINC001333993135 976199155 /nfs/dbraw/zinc/19/91/55/976199155.db2.gz GKSYCFWMLNZGIT-KTKRTIGZSA-N 0 1 244.766 2.072 20 0 BEADMN CC[C@@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480099 976242038 /nfs/dbraw/zinc/24/20/38/976242038.db2.gz IDULSVNRVWDKHC-RXMQYKEDSA-N 0 1 202.641 2.013 20 0 BEADMN O=c1nc(O[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c[nH]1 ZINC001228480821 976244652 /nfs/dbraw/zinc/24/46/52/976244652.db2.gz PSPPRRVFLHMGDB-KVSKUHBBSA-N 0 1 226.663 2.013 20 0 BEADMN C[C@H](C[N@H+](C)[C@@H](C)Cc1ccsc1)C(=O)[O-] ZINC000689945647 976270732 /nfs/dbraw/zinc/27/07/32/976270732.db2.gz IZFVIBWBHXZMBY-ZJUUUORDSA-N 0 1 241.356 2.332 20 0 BEADMN Cc1ncn(-c2cncc3ccccc32)c1N ZINC001174100458 976295235 /nfs/dbraw/zinc/29/52/35/976295235.db2.gz BVUHLFILLJQGPK-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1cnc(F)c(O[C@H]2CCCN(C)C2)c1 ZINC001228586382 976356861 /nfs/dbraw/zinc/35/68/61/976356861.db2.gz KOVNQVXVFUARLR-JTQLQIEISA-N 0 1 224.279 2.002 20 0 BEADMN COc1ccc(F)c(Nc2cncn2C)c1 ZINC001174210277 976387291 /nfs/dbraw/zinc/38/72/91/976387291.db2.gz UQXMMCPPVQWTFR-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN Cc1n[nH]c(C)c1-n1c(N)nc2c1cccc2C ZINC001174213034 976388493 /nfs/dbraw/zinc/38/84/93/976388493.db2.gz GDTSDAMIRFHRDZ-UHFFFAOYSA-N 0 1 241.298 2.256 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)C(F)(F)F ZINC001228662354 976415127 /nfs/dbraw/zinc/41/51/27/976415127.db2.gz GIUNDEIQCCIGTD-YFKPBYRVSA-N 0 1 231.177 2.288 20 0 BEADMN CCCn1cc(Nc2c(C)ncn2C)cn1 ZINC001174222044 976416519 /nfs/dbraw/zinc/41/65/19/976416519.db2.gz RNGSSIUDXIMYLA-UHFFFAOYSA-N 0 1 219.292 2.079 20 0 BEADMN C1=CO[C@H](COc2ccc3[nH]nnc3c2)CC1 ZINC001228668074 976425288 /nfs/dbraw/zinc/42/52/88/976425288.db2.gz YBXFLYVJLNFXKH-JTQLQIEISA-N 0 1 231.255 2.029 20 0 BEADMN Cc1cc(C)nc(CN2CC[C@@]23CCOC3)c1 ZINC001334291717 976426523 /nfs/dbraw/zinc/42/65/23/976426523.db2.gz VDBGSLUVJKKYDZ-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2cnc3c(c2)CCCC3)C1 ZINC001228778862 976492259 /nfs/dbraw/zinc/49/22/59/976492259.db2.gz OZJSDLCWTFZTOR-CYBMUJFWSA-N 0 1 246.354 2.433 20 0 BEADMN Nc1cccc2cn(-c3ccc4n[nH]cc4c3)nc21 ZINC001174275084 976498118 /nfs/dbraw/zinc/49/81/18/976498118.db2.gz OAMULWYUTNZFKM-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1ccc2c(cnn2-c2ccc3n[nH]cc3c2)c1 ZINC001174275174 976498541 /nfs/dbraw/zinc/49/85/41/976498541.db2.gz QTGKWIBWWXSPMA-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN O=c1ccc(Nc2ccc3nccn3c2)c[nH]1 ZINC001174275561 976499416 /nfs/dbraw/zinc/49/94/16/976499416.db2.gz BGDBOJGPLMECNM-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN Cc1ncncc1Nc1ccc2nccn2c1 ZINC001174277561 976502585 /nfs/dbraw/zinc/50/25/85/976502585.db2.gz ZWBUOEIRZLGBEO-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Nc1ccc(O)c(Nc2ccc3nccn3c2)c1 ZINC001174277889 976503573 /nfs/dbraw/zinc/50/35/73/976503573.db2.gz MDJMXAIUVCMEAT-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN CN1CC[C@@H](Oc2ccc3c(c2)C(=O)CCC3)C1 ZINC001228840785 976517310 /nfs/dbraw/zinc/51/73/10/976517310.db2.gz TWJWAYZLGXPEMQ-CYBMUJFWSA-N 0 1 245.322 2.289 20 0 BEADMN CN1CC[C@@H](Oc2cc3cc[nH]c3cc2F)C1 ZINC001228882632 976548824 /nfs/dbraw/zinc/54/88/24/976548824.db2.gz BMVQXZFUMUSXER-SNVBAGLBSA-N 0 1 234.274 2.390 20 0 BEADMN COCn1cc(Nc2cccc3[nH]ncc32)cn1 ZINC001174342407 976563261 /nfs/dbraw/zinc/56/32/61/976563261.db2.gz ABYBFZOCKHDVIQ-UHFFFAOYSA-N 0 1 243.270 2.107 20 0 BEADMN Cn1ccc(Nc2cccc3[nH]ncc32)n1 ZINC001174342181 976565575 /nfs/dbraw/zinc/56/55/75/976565575.db2.gz IWGANVLBHMSQLH-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN COc1ncc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343377 976570333 /nfs/dbraw/zinc/57/03/33/976570333.db2.gz MYXFLJQVRQJRMK-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1cc(Nc2cccc3[nH]ncc32)ncn1 ZINC001174343671 976572170 /nfs/dbraw/zinc/57/21/70/976572170.db2.gz YRAKXZIQRBHQFV-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1ncn(C)c1Nc1cnc2[nH]ccc2c1 ZINC001174397217 976589848 /nfs/dbraw/zinc/58/98/48/976589848.db2.gz YPRSLQZBWFNHKC-UHFFFAOYSA-N 0 1 227.271 2.300 20 0 BEADMN CCC(=O)[C@H](CC)Oc1nnc2c[nH]ccc1-2 ZINC001228989395 976615146 /nfs/dbraw/zinc/61/51/46/976615146.db2.gz ICZMEQZIAQHVFW-NSHDSACASA-N 0 1 233.271 2.094 20 0 BEADMN CC(C)(C)c1nsc(Nc2cncnc2)n1 ZINC001174384865 976625855 /nfs/dbraw/zinc/62/58/55/976625855.db2.gz INZUUWCLFVRESE-UHFFFAOYSA-N 0 1 235.316 2.369 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)C(F)(F)F ZINC001228996436 976626548 /nfs/dbraw/zinc/62/65/48/976626548.db2.gz QPKSLJDCUJSULT-RXMQYKEDSA-N 0 1 231.177 2.288 20 0 BEADMN Nc1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174498267 976717241 /nfs/dbraw/zinc/71/72/41/976717241.db2.gz IPYRDOPFHPCKBL-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN Oc1cncc(Nc2ccc3c[nH]nc3c2)c1 ZINC001174498098 976722459 /nfs/dbraw/zinc/72/24/59/976722459.db2.gz UNTKWVBEQLEYBR-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN FCCn1nccc1Nc1ccc2c[nH]nc2c1 ZINC001174498936 976725384 /nfs/dbraw/zinc/72/53/84/976725384.db2.gz MVRKZBGDQHCOEB-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN CC(C)(CF)NCc1cccc2[nH]c(=O)oc21 ZINC001334873184 976760414 /nfs/dbraw/zinc/76/04/14/976760414.db2.gz REJKSYRAIKYNIO-UHFFFAOYSA-N 0 1 238.262 2.371 20 0 BEADMN Cc1cnccc1N(c1ncc(N)cn1)C1CC1 ZINC001174537534 976821145 /nfs/dbraw/zinc/82/11/45/976821145.db2.gz KHZUKZLZADAIMG-UHFFFAOYSA-N 0 1 241.298 2.063 20 0 BEADMN COc1cc(Nc2c(C)ncn2C)ccc1O ZINC001174541321 976831187 /nfs/dbraw/zinc/83/11/87/976831187.db2.gz KLSPCAPSJLMXDC-UHFFFAOYSA-N 0 1 233.271 2.186 20 0 BEADMN C[C@@H](CC1CC1)NCc1nc(C(F)F)no1 ZINC001335088506 976846597 /nfs/dbraw/zinc/84/65/97/976846597.db2.gz FZWFWWIXYUFORM-LURJTMIESA-N 0 1 231.246 2.285 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1CC[C@H](CF)C1 ZINC001335089213 976846620 /nfs/dbraw/zinc/84/66/20/976846620.db2.gz NTJGSVHPTDXPDK-MRVPVSSYSA-N 0 1 245.729 2.417 20 0 BEADMN COc1ncnc(Cl)c1NC=C(C)C ZINC001174557423 976867141 /nfs/dbraw/zinc/86/71/41/976867141.db2.gz LCMASRVUXLVXCR-UHFFFAOYSA-N 0 1 213.668 2.474 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)cc1C ZINC001174560452 976875938 /nfs/dbraw/zinc/87/59/38/976875938.db2.gz OMQOMNDZIWJNQC-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)ccc1O ZINC001174625589 976895664 /nfs/dbraw/zinc/89/56/64/976895664.db2.gz HEJPQWHFRVDPRR-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN COc1cc([C@H](C)NC/C=C\C2CC2)on1 ZINC001335280310 976920361 /nfs/dbraw/zinc/92/03/61/976920361.db2.gz AHQVSEHQYDPQOG-TYRPZCRBSA-N 0 1 222.288 2.300 20 0 BEADMN c1nc(C2CC2)ncc1Nc1nonc1C1CC1 ZINC001174610576 976921739 /nfs/dbraw/zinc/92/17/39/976921739.db2.gz XWLOJIPWIDELRP-UHFFFAOYSA-N 0 1 243.270 2.358 20 0 BEADMN Cc1cc(=Nc2ccnc(C)c2)s[nH]1 ZINC001174654253 976944609 /nfs/dbraw/zinc/94/46/09/976944609.db2.gz YQXAYSCNHNZALB-UHFFFAOYSA-N 0 1 205.286 2.320 20 0 BEADMN COc1ccc2nc(OC3CC3)[nH]c2c1 ZINC001229729120 976968117 /nfs/dbraw/zinc/96/81/17/976968117.db2.gz GBCRJFIXTCHJAX-UHFFFAOYSA-N 0 1 204.229 2.113 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)CCCO2 ZINC001174720628 976969971 /nfs/dbraw/zinc/96/99/71/976969971.db2.gz ZJQCSFMRNTUSIC-UHFFFAOYSA-N 0 1 229.283 2.489 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(O)c(F)c1 ZINC001174734167 976979632 /nfs/dbraw/zinc/97/96/32/976979632.db2.gz ZMCONJCEZUGNKU-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Cc1ncn(-c2ccc3cc[nH]c3c2)c1N ZINC001174748330 977046858 /nfs/dbraw/zinc/04/68/58/977046858.db2.gz QKHPKOSLVGSNCR-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN Cc1cncc(Nc2ccnc(CO)c2)c1 ZINC001174753044 977051017 /nfs/dbraw/zinc/05/10/17/977051017.db2.gz IQSONHQZYPQUQO-UHFFFAOYSA-N 0 1 215.256 2.021 20 0 BEADMN Cc1cncc(-n2[nH]c(=O)c3ccc(N)cc32)c1 ZINC001174759909 977068285 /nfs/dbraw/zinc/06/82/85/977068285.db2.gz OXMUHTUBCZNWJA-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cc1nnc(CC[N@H+]2CC(C)(C)C2(C)C)o1 ZINC001335548301 977131576 /nfs/dbraw/zinc/13/15/76/977131576.db2.gz YAOWUZHZUUUMMR-UHFFFAOYSA-N 0 1 223.320 2.041 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC1CC2(COC2)C1 ZINC001230223210 977132280 /nfs/dbraw/zinc/13/22/80/977132280.db2.gz NPMMDGUEUPMBCN-UHFFFAOYSA-N 0 1 244.294 2.429 20 0 BEADMN COC(=O)C[C@@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230223059 977133813 /nfs/dbraw/zinc/13/38/13/977133813.db2.gz KYEIRDSUTZTPKA-SECBINFHSA-N 0 1 248.282 2.202 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)OCO2 ZINC001174865107 977136205 /nfs/dbraw/zinc/13/62/05/977136205.db2.gz HMLTYUZKASTZKF-UHFFFAOYSA-N 0 1 231.255 2.201 20 0 BEADMN CC[C@H](Oc1nc(C(=O)OC)c[nH]1)C(C)(C)C ZINC001230282129 977155430 /nfs/dbraw/zinc/15/54/30/977155430.db2.gz PMBDOEMSMXWIGJ-VIFPVBQESA-N 0 1 240.303 2.400 20 0 BEADMN CC[C@@H](Oc1nc(C(=O)OC)c[nH]1)C(C)C ZINC001230282102 977156518 /nfs/dbraw/zinc/15/65/18/977156518.db2.gz OWGCMGIGBMTRQX-SECBINFHSA-N 0 1 226.276 2.010 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H](C)CCC(C)C)n1 ZINC001230280564 977157357 /nfs/dbraw/zinc/15/73/57/977157357.db2.gz VPCPMJGTFLLQIY-VIFPVBQESA-N 0 1 240.303 2.400 20 0 BEADMN COc1c(C)cc(-n2cncc2N)cc1C ZINC001174997063 977199791 /nfs/dbraw/zinc/19/97/91/977199791.db2.gz BNPUEFHIAQDHHY-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN COc1cc(-n2cnc(C)c2N)ccc1C ZINC001175014206 977209950 /nfs/dbraw/zinc/20/99/50/977209950.db2.gz KUVKVZDASTXFRG-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)c(F)c1F ZINC001175019798 977215438 /nfs/dbraw/zinc/21/54/38/977215438.db2.gz QDBYHSUCQWHDEV-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN Cc1ncn(-c2c(F)ccc(F)c2F)c1N ZINC001175027623 977225223 /nfs/dbraw/zinc/22/52/23/977225223.db2.gz DVVCDLQQKQUCLF-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN CCN1CCC[C@@H](Oc2ccc(C)nc2F)C1 ZINC001230707199 977302392 /nfs/dbraw/zinc/30/23/92/977302392.db2.gz DASQJGCEISCCJN-LLVKDONJSA-N 0 1 238.306 2.392 20 0 BEADMN CCc1ncc(CN(C)[C@H](CO)CC(C)C)o1 ZINC001335820915 977303426 /nfs/dbraw/zinc/30/34/26/977303426.db2.gz KCOSAXJZXBMGMR-NSHDSACASA-N 0 1 240.347 2.076 20 0 BEADMN Cn1ccc(N2N=C3CCCCCC[C@H]3C2=O)n1 ZINC001335837845 977307676 /nfs/dbraw/zinc/30/76/76/977307676.db2.gz SSYHJARLZAXSEK-SNVBAGLBSA-N 0 1 246.314 2.093 20 0 BEADMN CC(=O)c1ccc(-n2cnc(C)c2N)cc1F ZINC001175227683 977336596 /nfs/dbraw/zinc/33/65/96/977336596.db2.gz ARUAUWHAKWFGNX-UHFFFAOYSA-N 0 1 233.246 2.105 20 0 BEADMN COc1nnc(CN[C@@H]2CCCC2(C)C)s1 ZINC001335885344 977349475 /nfs/dbraw/zinc/34/94/75/977349475.db2.gz QCNUYUZGYZRMHZ-MRVPVSSYSA-N 0 1 241.360 2.215 20 0 BEADMN COC[C@H](C)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230887572 977355882 /nfs/dbraw/zinc/35/58/82/977355882.db2.gz AQVWIZJIRHAKBV-VIFPVBQESA-N 0 1 248.282 2.058 20 0 BEADMN Cc1ncn(-c2ccc(F)c(C)c2)c1N ZINC001175253959 977359165 /nfs/dbraw/zinc/35/91/65/977359165.db2.gz YFSHSMJLIPWNFN-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN CC(=O)c1ccc(F)c(Nc2nonc2C)c1 ZINC001175270638 977361164 /nfs/dbraw/zinc/36/11/64/977361164.db2.gz KQHHJKABHNTLEX-UHFFFAOYSA-N 0 1 235.218 2.463 20 0 BEADMN COc1cc(Nc2cncn2C)ccc1F ZINC001175395641 977389250 /nfs/dbraw/zinc/38/92/50/977389250.db2.gz LNKKZARXWPYPER-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN Fc1cc(OC[C@@H]2CCCO2)cc2[nH]ncc21 ZINC001230930852 977390113 /nfs/dbraw/zinc/39/01/13/977390113.db2.gz JHIYXGVURUCDEJ-QMMMGPOBSA-N 0 1 236.246 2.260 20 0 BEADMN COc1ncc(Nc2ncc(C)o2)s1 ZINC001175387359 977405326 /nfs/dbraw/zinc/40/53/26/977405326.db2.gz RFDDIKJNUZGYTL-UHFFFAOYSA-N 0 1 211.246 2.192 20 0 BEADMN COc1ncc(-n2c(N)nc3ccccc32)s1 ZINC001175386883 977407042 /nfs/dbraw/zinc/40/70/42/977407042.db2.gz IJQLONGDSOAYRN-UHFFFAOYSA-N 0 1 246.295 2.073 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2nccnc2c1 ZINC001175487151 977444970 /nfs/dbraw/zinc/44/49/70/977444970.db2.gz XCARFAQAWFXIEV-UHFFFAOYSA-N 0 1 239.282 2.415 20 0 BEADMN Cc1cc[nH]c2nc(O[C@H]3CCCCC3=O)nc1-2 ZINC001231063249 977456410 /nfs/dbraw/zinc/45/64/10/977456410.db2.gz DBGJFJFKNCRJQB-JTQLQIEISA-N 0 1 245.282 2.157 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cnccn1 ZINC001175526421 977506677 /nfs/dbraw/zinc/50/66/77/977506677.db2.gz VCXJIKFDFRTVTG-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cn(C)cn1 ZINC001175524305 977508614 /nfs/dbraw/zinc/50/86/14/977508614.db2.gz AZLFOTZKBRHJBC-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CS[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001594185634 977543629 /nfs/dbraw/zinc/54/36/29/977543629.db2.gz ONPAGBRIUYRNCC-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000711489949 977550876 /nfs/dbraw/zinc/55/08/76/977550876.db2.gz LHNMTXGXZOMPQC-VIFPVBQESA-N 0 1 241.262 2.078 20 0 BEADMN CC(C)CC(=O)NCCCN(C)C/C=C/Cl ZINC001231325543 977571053 /nfs/dbraw/zinc/57/10/53/977571053.db2.gz IIVHDTGFJRDTNB-GQCTYLIASA-N 0 1 246.782 2.223 20 0 BEADMN CCOc1cc(NC2=CCCN(C)C2)ccn1 ZINC001175574943 977572492 /nfs/dbraw/zinc/57/24/92/977572492.db2.gz GMMZZBSYBMFYDJ-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN COc1ccc(O)c(NC2=CCCN(C)C2)c1 ZINC001175576258 977580317 /nfs/dbraw/zinc/58/03/17/977580317.db2.gz IEEURWGKZVJWGU-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN COc1ccc(OC)c(NC2=CCCN(C)C2)c1 ZINC001175576543 977582610 /nfs/dbraw/zinc/58/26/10/977582610.db2.gz LVCKRLCYUMRWCT-UHFFFAOYSA-N 0 1 248.326 2.335 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1c[nH]c2cccnc12 ZINC001231486072 977606149 /nfs/dbraw/zinc/60/61/49/977606149.db2.gz MLMKIPNTWPFWCX-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN Cn1cncc1Nc1cccc2c[nH]nc21 ZINC001175636069 977607665 /nfs/dbraw/zinc/60/76/65/977607665.db2.gz XHIBRYSFHMBFDP-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1cc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC001594302066 977610968 /nfs/dbraw/zinc/61/09/68/977610968.db2.gz GBJNJUKBUMEPMZ-SECBINFHSA-N 0 1 237.299 2.334 20 0 BEADMN Cc1cc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC001594302066 977610975 /nfs/dbraw/zinc/61/09/75/977610975.db2.gz GBJNJUKBUMEPMZ-SECBINFHSA-N 0 1 237.299 2.334 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ccncn3)cc21 ZINC001175692910 977624144 /nfs/dbraw/zinc/62/41/44/977624144.db2.gz PWEPIIBRQCBVLS-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1nonc1Nc1ccc2c(c1)n[nH]c2C ZINC001175660031 977635921 /nfs/dbraw/zinc/63/59/21/977635921.db2.gz UGDSKAMKVLHXKU-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Cc1n[nH]c2cc(Nc3cncn3C)ccc12 ZINC001175656224 977637269 /nfs/dbraw/zinc/63/72/69/977637269.db2.gz AWMRNFGHOCRRHI-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ncccn3)cc21 ZINC001175692707 977659238 /nfs/dbraw/zinc/65/92/38/977659238.db2.gz GHTVKRQQRDUPKT-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cc(F)c(Nc2cncn2C)c(F)c1 ZINC001175721980 977663173 /nfs/dbraw/zinc/66/31/73/977663173.db2.gz TWJIIAADSGWOAH-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCC[C@H](F)CC2)n1 ZINC001231669591 977685369 /nfs/dbraw/zinc/68/53/69/977685369.db2.gz KUDFHBHNEPJLSL-NSHDSACASA-N 0 1 238.306 2.420 20 0 BEADMN CCCn1nc(C)cc1Nc1ccncc1 ZINC001175798822 977695727 /nfs/dbraw/zinc/69/57/27/977695727.db2.gz JHJVANOJZMTFPN-UHFFFAOYSA-N 0 1 216.288 2.162 20 0 BEADMN COC(=O)c1cnn(C)c1N=C1CCCCC1 ZINC001175753292 977699574 /nfs/dbraw/zinc/69/95/74/977699574.db2.gz UPMOUIIKZOVTEI-UHFFFAOYSA-N 0 1 235.287 2.077 20 0 BEADMN COc1ncc(N=C2CCCCC2)cn1 ZINC001175753155 977702897 /nfs/dbraw/zinc/70/28/97/977702897.db2.gz SCJIIZHESGHUIT-UHFFFAOYSA-N 0 1 205.261 2.355 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(COC)o2)C1 ZINC001231695364 977703805 /nfs/dbraw/zinc/70/38/05/977703805.db2.gz TXQCAWBQWQWCNJ-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN Cn1ccnc1Nc1cnn(C2CCC2)c1 ZINC001175754852 977706239 /nfs/dbraw/zinc/70/62/39/977706239.db2.gz MPEQPWPTARDPJL-UHFFFAOYSA-N 0 1 217.276 2.085 20 0 BEADMN COc1ncc(F)cc1CN1CC[C@H](C)C1 ZINC001231740048 977725734 /nfs/dbraw/zinc/72/57/34/977725734.db2.gz QJNSRDMGKYGPQB-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN Cc1cccc(C)c1CNc1nccnc1CN ZINC001336547979 977770759 /nfs/dbraw/zinc/77/07/59/977770759.db2.gz FICFPQCHOYALFY-UHFFFAOYSA-N 0 1 242.326 2.164 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cnc(OC)cn1 ZINC001231935325 977802636 /nfs/dbraw/zinc/80/26/36/977802636.db2.gz DWIIKXGRDXTYHH-GFCCVEGCSA-N 0 1 235.331 2.250 20 0 BEADMN Cc1ncn(-c2ccc3scnc3c2)c1N ZINC001175914903 977816713 /nfs/dbraw/zinc/81/67/13/977816713.db2.gz JXIYYCFDVONVAH-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN C[C@@H]1CCN1C(=O)c1ccc(CN2CCCC2)o1 ZINC001594781016 977824363 /nfs/dbraw/zinc/82/43/63/977824363.db2.gz WIWCENSPIMEADT-LLVKDONJSA-N 0 1 248.326 2.110 20 0 BEADMN C[C@H]1CCN1C(=O)c1ccc(CN2CCCC2)o1 ZINC001594781017 977825029 /nfs/dbraw/zinc/82/50/29/977825029.db2.gz WIWCENSPIMEADT-NSHDSACASA-N 0 1 248.326 2.110 20 0 BEADMN Cc1cc(CN2CC3(CSC3)C2)cc(C)n1 ZINC001232004751 977834735 /nfs/dbraw/zinc/83/47/35/977834735.db2.gz QTJYKLYZMWIQNS-UHFFFAOYSA-N 0 1 234.368 2.247 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cc(C)nc(C)c2)C1 ZINC001232003495 977836043 /nfs/dbraw/zinc/83/60/43/977836043.db2.gz QHJRYKHGOLJURJ-LBPRGKRZSA-N 0 1 234.343 2.165 20 0 BEADMN Cc1ccnc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175995611 977850680 /nfs/dbraw/zinc/85/06/80/977850680.db2.gz FWJRUYSYFGKEFG-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccnc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175995611 977850684 /nfs/dbraw/zinc/85/06/84/977850684.db2.gz FWJRUYSYFGKEFG-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCc1nnc(Nc2ccc3nn[nH]c3c2)s1 ZINC001175995421 977852067 /nfs/dbraw/zinc/85/20/67/977852067.db2.gz DHUDESBYWNWUAN-UHFFFAOYSA-N 0 1 246.299 2.115 20 0 BEADMN CCc1nnc(Nc2ccc3n[nH]nc3c2)s1 ZINC001175995421 977852070 /nfs/dbraw/zinc/85/20/70/977852070.db2.gz DHUDESBYWNWUAN-UHFFFAOYSA-N 0 1 246.299 2.115 20 0 BEADMN COC[C@H]1CCCN(Cc2nccn2C2CC2)C1 ZINC001336685666 977852472 /nfs/dbraw/zinc/85/24/72/977852472.db2.gz HWQUAUIBICZADE-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN CN(CCC(F)(F)F)C[C@H]1COC(C)(C)O1 ZINC001336685692 977852929 /nfs/dbraw/zinc/85/29/29/977852929.db2.gz UNZWQVAIWMDLID-QMMMGPOBSA-N 0 1 241.253 2.022 20 0 BEADMN Cc1cnc(C)c(Nc2ccc3nn[nH]c3c2)n1 ZINC001175996380 977855905 /nfs/dbraw/zinc/85/59/05/977855905.db2.gz RQKUYAQQUWEAKM-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1cnc(C)c(Nc2ccc3n[nH]nc3c2)n1 ZINC001175996380 977855910 /nfs/dbraw/zinc/85/59/10/977855910.db2.gz RQKUYAQQUWEAKM-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Clc1ncncc1Nc1ccc2nn[nH]c2c1 ZINC001175996696 977856351 /nfs/dbraw/zinc/85/63/51/977856351.db2.gz SWLCJNNLKWWJNG-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1ncncc1Nc1ccc2n[nH]nc2c1 ZINC001175996696 977856352 /nfs/dbraw/zinc/85/63/52/977856352.db2.gz SWLCJNNLKWWJNG-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1ncc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175997054 977857648 /nfs/dbraw/zinc/85/76/48/977857648.db2.gz YRBBJCJYJVKUIT-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1ncc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175997054 977857652 /nfs/dbraw/zinc/85/76/52/977857652.db2.gz YRBBJCJYJVKUIT-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Cc1noc(Nc2ccc3nn[nH]c3c2)c1C ZINC001175996392 977857665 /nfs/dbraw/zinc/85/76/65/977857665.db2.gz RZTPDEYAOQLWJZ-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Cc1noc(Nc2ccc3n[nH]nc3c2)c1C ZINC001175996392 977857668 /nfs/dbraw/zinc/85/76/68/977857668.db2.gz RZTPDEYAOQLWJZ-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Oc1ccccc1Nc1ccc2nn[nH]c2c1 ZINC001176005460 977861003 /nfs/dbraw/zinc/86/10/03/977861003.db2.gz ZLSBIQKJILWMAO-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Oc1ccccc1Nc1ccc2n[nH]nc2c1 ZINC001176005460 977861007 /nfs/dbraw/zinc/86/10/07/977861007.db2.gz ZLSBIQKJILWMAO-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Nc1ccc(F)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003357 977861704 /nfs/dbraw/zinc/86/17/04/977861704.db2.gz BAFMAYNXFYCBTQ-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN Nc1ccc(F)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003357 977861707 /nfs/dbraw/zinc/86/17/07/977861707.db2.gz BAFMAYNXFYCBTQ-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)c(F)n1 ZINC001176002489 977862425 /nfs/dbraw/zinc/86/24/25/977862425.db2.gz WVJIBUHWWPCFPQ-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)c(F)n1 ZINC001176002489 977862430 /nfs/dbraw/zinc/86/24/30/977862430.db2.gz WVJIBUHWWPCFPQ-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN OCc1cc(Nc2cccc3c2OCC3)ccn1 ZINC001176073875 977869118 /nfs/dbraw/zinc/86/91/18/977869118.db2.gz CPZZTNZWUQUPFG-UHFFFAOYSA-N 0 1 242.278 2.252 20 0 BEADMN Brc1ccc(Nc2ncc[nH]2)nc1 ZINC001176077163 977871395 /nfs/dbraw/zinc/87/13/95/977871395.db2.gz JGXRGDBUSZRQDN-UHFFFAOYSA-N 0 1 239.076 2.311 20 0 BEADMN Brc1ncccc1Nc1ncc[nH]1 ZINC001176079005 977873736 /nfs/dbraw/zinc/87/37/36/977873736.db2.gz CDIYEWXCODEKKJ-UHFFFAOYSA-N 0 1 239.076 2.311 20 0 BEADMN C[C@@H]1CCN1Cc1cc2ncccc2[nH]1 ZINC001232062154 977873906 /nfs/dbraw/zinc/87/39/06/977873906.db2.gz WHLRMOUJZVMSJQ-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cncc(O)c1 ZINC001232046371 977874728 /nfs/dbraw/zinc/87/47/28/977874728.db2.gz IVADZXYQFNURBV-ZDUSSCGKSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1cncc([O-])c1 ZINC001232046371 977874734 /nfs/dbraw/zinc/87/47/34/977874734.db2.gz IVADZXYQFNURBV-ZDUSSCGKSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cncc([O-])c1 ZINC001232046371 977874739 /nfs/dbraw/zinc/87/47/39/977874739.db2.gz IVADZXYQFNURBV-ZDUSSCGKSA-N 0 1 220.316 2.408 20 0 BEADMN COC(=O)c1ccc(Nc2ncc[nH]2)c(F)c1 ZINC001176084281 977883365 /nfs/dbraw/zinc/88/33/65/977883365.db2.gz IQXFZQDRZRMPKK-UHFFFAOYSA-N 0 1 235.218 2.079 20 0 BEADMN C[C@H]1CCCN1Cc1cn(C)nc1C(F)(F)F ZINC001232082902 977885873 /nfs/dbraw/zinc/88/58/73/977885873.db2.gz MAUZLLWYIGIYMV-QMMMGPOBSA-N 0 1 247.264 2.423 20 0 BEADMN CO[C@H](C)C1CN(Cc2ccc(C)nc2C)C1 ZINC001232084626 977886764 /nfs/dbraw/zinc/88/67/64/977886764.db2.gz PSNWYKFRPJSNBX-GFCCVEGCSA-N 0 1 234.343 2.165 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001594932897 977887114 /nfs/dbraw/zinc/88/71/14/977887114.db2.gz OTHRXEINDILXGY-RAIGVLPGSA-N 0 1 249.285 2.088 20 0 BEADMN c1c[nH]c(Nc2cccc3cnoc32)n1 ZINC001176085961 977891759 /nfs/dbraw/zinc/89/17/59/977891759.db2.gz VFNSIDSDIOSKAX-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN CO[C@H](C)C1CN(Cc2cc3ccncc3[nH]2)C1 ZINC001232097967 977893783 /nfs/dbraw/zinc/89/37/83/977893783.db2.gz WWJGECGTECQYJJ-SNVBAGLBSA-N 0 1 245.326 2.030 20 0 BEADMN Clc1ncc(NC2=CCOCC2)c(Cl)n1 ZINC001176139748 977915903 /nfs/dbraw/zinc/91/59/03/977915903.db2.gz HWBQKBAMVBNCGC-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN Cc1ncc(N=C2CCOCC2)c(Cl)n1 ZINC001176139660 977917809 /nfs/dbraw/zinc/91/78/09/977917809.db2.gz FLTKJIZTDHLFTN-UHFFFAOYSA-N 0 1 225.679 2.155 20 0 BEADMN Cc1cc(C)cc(CCNCc2csnn2)c1 ZINC001336754543 977922822 /nfs/dbraw/zinc/92/28/22/977922822.db2.gz IZYWZILNVQHDIQ-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN Cc1scnc1CN1CC[C@H](C)[C@@H](O)CC1 ZINC001232204715 977934504 /nfs/dbraw/zinc/93/45/04/977934504.db2.gz WBQKDEMWGPJWAS-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC001232212400 977943293 /nfs/dbraw/zinc/94/32/93/977943293.db2.gz PWIXUZKUPIJCBE-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN COC[C@H]1CCCCN1Cc1cnsc1 ZINC001232225216 977945432 /nfs/dbraw/zinc/94/54/32/977945432.db2.gz XEFSKBQBOJDWAZ-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN O=C([O-])C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001595096885 977947482 /nfs/dbraw/zinc/94/74/82/977947482.db2.gz BIMUOOGXMSEIHR-UHFFFAOYSA-N 0 1 231.295 2.009 20 0 BEADMN FC1(F)C[C@]12CCN(Cc1cnsc1)C2 ZINC001232227222 977954939 /nfs/dbraw/zinc/95/49/39/977954939.db2.gz JENYEBYHAWJEPR-VIFPVBQESA-N 0 1 230.283 2.374 20 0 BEADMN c1nscc1CN1CCC2(CCCO2)CC1 ZINC001232228030 977957351 /nfs/dbraw/zinc/95/73/51/977957351.db2.gz VPVIBTZOOAGCGZ-UHFFFAOYSA-N 0 1 238.356 2.288 20 0 BEADMN CO[C@@H]1CCN(Cc2cnsc2)[C@H](C)C1 ZINC001232232776 977967589 /nfs/dbraw/zinc/96/75/89/977967589.db2.gz XPSOYMMEHJFKEX-MWLCHTKSSA-N 0 1 226.345 2.142 20 0 BEADMN COC1(OC)CC(CNc2cc(C)ccn2)C1 ZINC001336804507 977972375 /nfs/dbraw/zinc/97/23/75/977972375.db2.gz FCZPFCSCUNQINA-UHFFFAOYSA-N 0 1 236.315 2.201 20 0 BEADMN Clc1csc(CN2CCN3CC[C@@H]3C2)c1 ZINC001232283263 977991703 /nfs/dbraw/zinc/99/17/03/977991703.db2.gz VCRKGCNPDQEKNZ-SNVBAGLBSA-N 0 1 242.775 2.291 20 0 BEADMN Cc1cc(Br)ncc1CN(C)C ZINC001232315109 978003176 /nfs/dbraw/zinc/00/31/76/978003176.db2.gz FXSRXVDWLGCJAN-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC001595242219 978004287 /nfs/dbraw/zinc/00/42/87/978004287.db2.gz RGAQNZMXBQWJOD-ZDUSSCGKSA-N 0 1 231.295 2.369 20 0 BEADMN Cc1ccc2nc(N)n(-c3cnc(C)nc3)c2c1 ZINC001176392653 978046176 /nfs/dbraw/zinc/04/61/76/978046176.db2.gz LKPCZWXUEKVTHB-UHFFFAOYSA-N 0 1 239.282 2.015 20 0 BEADMN CC1CC(N(C)Cc2[nH]nc3c2CCC3)C1 ZINC001232424894 978064732 /nfs/dbraw/zinc/06/47/32/978064732.db2.gz OHOPITVZNBYDMG-UHFFFAOYSA-N 0 1 219.332 2.129 20 0 BEADMN FC[C@@H]1CCCN(Cc2[nH]nc3c2CCC3)C1 ZINC001232425544 978065833 /nfs/dbraw/zinc/06/58/33/978065833.db2.gz AYYUIHYYGJISRF-JTQLQIEISA-N 0 1 237.322 2.080 20 0 BEADMN CCc1csc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC001232473127 978076901 /nfs/dbraw/zinc/07/69/01/978076901.db2.gz XWJRHOBZRCRMAK-DTORHVGOSA-N 0 1 208.330 2.157 20 0 BEADMN Nc1nonc1Nc1cccc(OCC2CC2)c1 ZINC001176492613 978102481 /nfs/dbraw/zinc/10/24/81/978102481.db2.gz ZTNYVOSDIJYSNI-UHFFFAOYSA-N 0 1 246.270 2.184 20 0 BEADMN CCN1CCN(Cc2c(C)cccc2F)CC1 ZINC001232481654 978135802 /nfs/dbraw/zinc/13/58/02/978135802.db2.gz HGTDQRSBPIWQOG-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN Cc1cc(CN(C)Cc2scnc2C)n[nH]1 ZINC001337033574 978135863 /nfs/dbraw/zinc/13/58/63/978135863.db2.gz ZMSNXSWJXRFMBD-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN C[C@@H]1CCCN(Cc2cc(F)ccn2)C1 ZINC001232491664 978142572 /nfs/dbraw/zinc/14/25/72/978142572.db2.gz VHTVIYOUFOINHG-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1cccc(F)c1C[N@H+]1CCC[C@H]1CO ZINC001232491171 978143157 /nfs/dbraw/zinc/14/31/57/978143157.db2.gz VEARJHSYBVQAOB-NSHDSACASA-N 0 1 223.291 2.091 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(F)ccn2)[C@H](C)C1 ZINC001232498157 978151669 /nfs/dbraw/zinc/15/16/69/978151669.db2.gz RPLZAZZDFOMACE-ZWNOBZJWSA-N 0 1 238.306 2.220 20 0 BEADMN CC[C@@H](C)N(C)Cc1c(OC)cncc1OC ZINC001232502888 978153419 /nfs/dbraw/zinc/15/34/19/978153419.db2.gz VGQBSWJGKBABCC-SNVBAGLBSA-N 0 1 238.331 2.329 20 0 BEADMN COc1cncc(OC)c1CN1C[C@H]2CC[C@@H]1C2 ZINC001232506096 978156268 /nfs/dbraw/zinc/15/62/68/978156268.db2.gz TUVUAJNOGNKQET-WDEREUQCSA-N 0 1 248.326 2.083 20 0 BEADMN Cc1c(Br)cncc1CN(C)C ZINC001232527720 978163822 /nfs/dbraw/zinc/16/38/22/978163822.db2.gz OVFQYOXRWXZNTF-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN COC[C@H]1CCCN1Cc1cccc(CF)n1 ZINC001232532831 978163739 /nfs/dbraw/zinc/16/37/39/978163739.db2.gz ASNGEQJDYSZAEM-CYBMUJFWSA-N 0 1 238.306 2.162 20 0 BEADMN Cc1ncn(-c2ccc(Cl)cc2)c1N ZINC001176726776 978166357 /nfs/dbraw/zinc/16/63/57/978166357.db2.gz UZDUEEDBOIVQRM-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN CCO[C@@H]1CCN(Cc2cccc(CF)n2)C1 ZINC001232538447 978167564 /nfs/dbraw/zinc/16/75/64/978167564.db2.gz QIJHCIXCTIYBRS-CYBMUJFWSA-N 0 1 238.306 2.162 20 0 BEADMN O[C@@H]1CCCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550357 978178177 /nfs/dbraw/zinc/17/81/77/978178177.db2.gz UJLBCHNLCMUHLH-CYBMUJFWSA-N 0 1 246.310 2.175 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cc3ccoc3cn2)CCCO1 ZINC001232550030 978178436 /nfs/dbraw/zinc/17/84/36/978178436.db2.gz QAHNQIDJRKFXHB-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@@H]1CN(Cc2cc3ccoc3cn2)CCCO1 ZINC001232550030 978178444 /nfs/dbraw/zinc/17/84/44/978178444.db2.gz QAHNQIDJRKFXHB-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN CC[C@H]1COCCN1Cc1ccccc1NC ZINC001232673317 978231428 /nfs/dbraw/zinc/23/14/28/978231428.db2.gz YRKMVCGUIDRSSS-ZDUSSCGKSA-N 0 1 234.343 2.339 20 0 BEADMN CNc1ccccc1CN1C[C@@H](C)OC[C@H]1C ZINC001232674555 978241261 /nfs/dbraw/zinc/24/12/61/978241261.db2.gz ZFCLFLHJPYUFPL-VXGBXAGGSA-N 0 1 234.343 2.338 20 0 BEADMN CNc1ccccc1CN1CC(C(F)F)C1 ZINC001232674798 978244962 /nfs/dbraw/zinc/24/49/62/978244962.db2.gz FUSBXRHBMZADOQ-UHFFFAOYSA-N 0 1 226.270 2.425 20 0 BEADMN CCOC(=O)/C=C\CN[C@H](C)c1ncccc1C ZINC001176896195 978252079 /nfs/dbraw/zinc/25/20/79/978252079.db2.gz DZRVAEDXBPXXKW-XYLWRLHESA-N 0 1 248.326 2.160 20 0 BEADMN COC(=O)c1cc(CN2CCCC[C@H]2C)ccn1 ZINC001232766676 978260296 /nfs/dbraw/zinc/26/02/96/978260296.db2.gz LDQIBZIMUMQBPU-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN Cc1cc(CNc2ccc(C)nc2N(C)C)n[nH]1 ZINC001337281209 978260607 /nfs/dbraw/zinc/26/06/07/978260607.db2.gz MSSVWTLRJRBYFI-UHFFFAOYSA-N 0 1 245.330 2.100 20 0 BEADMN COC(=O)c1cc(C[N@H+]2CCC[C@H](C)C2)ccn1 ZINC001232767309 978265625 /nfs/dbraw/zinc/26/56/25/978265625.db2.gz YBDOBYAXUYNKPP-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN COC(=O)c1cc(CN2CCC[C@H](C)C2)ccn1 ZINC001232767309 978265633 /nfs/dbraw/zinc/26/56/33/978265633.db2.gz YBDOBYAXUYNKPP-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN CCCn1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC001232802925 978292417 /nfs/dbraw/zinc/29/24/17/978292417.db2.gz HXOQWAGLLQZKDI-BETUJISGSA-N 0 1 233.359 2.381 20 0 BEADMN CN(Cc1c[nH]c2ccc(O)cc12)C1(C)COC1 ZINC001232872412 978317392 /nfs/dbraw/zinc/31/73/92/978317392.db2.gz XXRXVRZWKKOFMN-UHFFFAOYSA-N 0 1 246.310 2.094 20 0 BEADMN Cc1cc(O)cc(CN2CC[C@@]23CCOC3)c1 ZINC001232881867 978321773 /nfs/dbraw/zinc/32/17/73/978321773.db2.gz LHUJAGVPTYGZLM-AWEZNQCLSA-N 0 1 233.311 2.065 20 0 BEADMN CC1CN(Cc2ccc3ncoc3c2)C1 ZINC001232938276 978347094 /nfs/dbraw/zinc/34/70/94/978347094.db2.gz QZEBEEFBAFBTMB-UHFFFAOYSA-N 0 1 202.257 2.280 20 0 BEADMN c1nc2ccc(CN3CCCOCC3)cc2o1 ZINC001232938507 978348321 /nfs/dbraw/zinc/34/83/21/978348321.db2.gz DXGAMRJFMSHFLU-UHFFFAOYSA-N 0 1 232.283 2.050 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1c[nH]c2ccccc12 ZINC001597761198 978365474 /nfs/dbraw/zinc/36/54/74/978365474.db2.gz RTGJRRWTQHXLEP-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CCn1cnc(Cl)c1CNC(C)(C)COC ZINC001177631489 978406679 /nfs/dbraw/zinc/40/66/79/978406679.db2.gz MFBLYUMCVMLAEJ-UHFFFAOYSA-N 0 1 245.754 2.071 20 0 BEADMN CO[C@H](C)C1CN(Cc2cnc(C)cc2C)C1 ZINC001233012446 978414262 /nfs/dbraw/zinc/41/42/62/978414262.db2.gz MYXXLQZRZOWUJY-GFCCVEGCSA-N 0 1 234.343 2.165 20 0 BEADMN C[N@H+](Cc1cc(Cl)ncc1[O-])CC1CC1 ZINC001233033921 978417559 /nfs/dbraw/zinc/41/75/59/978417559.db2.gz XUPLXEJYABUOBY-UHFFFAOYSA-N 0 1 226.707 2.282 20 0 BEADMN CCN(CC(=O)N1CC[C@@H]1C(C)(C)C)C1CC1 ZINC001337603711 978428227 /nfs/dbraw/zinc/42/82/27/978428227.db2.gz GOBVFMQZVXUWKH-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN Fc1ccc2c(c1)n[nH]c2CN1CC=CC1 ZINC001233119570 978468088 /nfs/dbraw/zinc/46/80/88/978468088.db2.gz MHHDFDBFPHCKQU-UHFFFAOYSA-N 0 1 217.247 2.074 20 0 BEADMN Fc1ccc2c(c1)[nH]nc2CN1CC=CC1 ZINC001233119570 978468092 /nfs/dbraw/zinc/46/80/92/978468092.db2.gz MHHDFDBFPHCKQU-UHFFFAOYSA-N 0 1 217.247 2.074 20 0 BEADMN Cc1cc(CN2CCC[C@]3(CCO3)C2)cnc1C ZINC001233162018 978482675 /nfs/dbraw/zinc/48/26/75/978482675.db2.gz OGYOAAMFHJOWOG-HNNXBMFYSA-N 0 1 246.354 2.453 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1nccnc1CN ZINC001337788601 978496408 /nfs/dbraw/zinc/49/64/08/978496408.db2.gz SNJVZKRSANCTND-VHSXEESVSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1cc(CCC(=O)NC2CCC=CCC2)n[nH]1 ZINC001178112583 978504162 /nfs/dbraw/zinc/50/41/62/978504162.db2.gz KFEPHKGZPJILPK-UHFFFAOYSA-N 0 1 247.342 2.266 20 0 BEADMN Cc1ccc(CN2CC[C@]23CCOC3)cc1O ZINC001233235646 978504931 /nfs/dbraw/zinc/50/49/31/978504931.db2.gz QFLPVLVZCQQYLH-CQSZACIVSA-N 0 1 233.311 2.065 20 0 BEADMN O[C@H]1CCCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259343 978516012 /nfs/dbraw/zinc/51/60/12/978516012.db2.gz OQZZLWKLSHYBKL-LBPRGKRZSA-N 0 1 237.368 2.322 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC001233258968 978516254 /nfs/dbraw/zinc/51/62/54/978516254.db2.gz BDYBKWPDHUSNRD-UHFFFAOYSA-N 0 1 235.352 2.198 20 0 BEADMN [S-]c1ccc(C[NH+]2CCN(C3CC3)CC2)cc1 ZINC001233258691 978518526 /nfs/dbraw/zinc/51/85/26/978518526.db2.gz OYVFCEHBURXPAQ-UHFFFAOYSA-N 0 1 248.395 2.255 20 0 BEADMN [S-]c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001233260629 978518685 /nfs/dbraw/zinc/51/86/85/978518685.db2.gz LOGHXOKYCHUVQW-ZDUSSCGKSA-N 0 1 248.395 2.255 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2CCO3)C[C@H](C)O1 ZINC001233273478 978519353 /nfs/dbraw/zinc/51/93/53/978519353.db2.gz DVVHADARFSOAIR-RYUDHWBXSA-N 0 1 247.338 2.231 20 0 BEADMN CC(C)C1=CC[C@@H](N2CCOCC2)CC1 ZINC001249860895 978523743 /nfs/dbraw/zinc/52/37/43/978523743.db2.gz AQAWGQBNCFZPMS-CYBMUJFWSA-N 0 1 209.333 2.454 20 0 BEADMN CC[C@@H](C)c1ccnc(N2CCN(C)CC2)c1 ZINC001249863643 978531318 /nfs/dbraw/zinc/53/13/18/978531318.db2.gz WUUBUJSUWRTQMS-GFCCVEGCSA-N 0 1 233.359 2.347 20 0 BEADMN COCCN(Cc1cc(C)ns1)C(C)C ZINC001233312047 978541268 /nfs/dbraw/zinc/54/12/68/978541268.db2.gz VVPJDSLKCVJUDT-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN Cc1cnsc1CN1CC[C@H](OC(C)C)C1 ZINC001233322042 978562407 /nfs/dbraw/zinc/56/24/07/978562407.db2.gz PCRXJMLGCPFXRH-NSHDSACASA-N 0 1 240.372 2.451 20 0 BEADMN CC=C(C)C=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001178513157 978582248 /nfs/dbraw/zinc/58/22/48/978582248.db2.gz XRYWCFNHUXUGJX-LILNVKPRSA-N 0 1 242.282 2.419 20 0 BEADMN C/C=C\COC(=O)[C@H]1CCCCN1CCC ZINC001338000372 978586005 /nfs/dbraw/zinc/58/60/05/978586005.db2.gz FVYYDIOOOYLYQN-KTLBGCOUSA-N 0 1 225.332 2.370 20 0 BEADMN CC(C)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001178713013 978622293 /nfs/dbraw/zinc/62/22/93/978622293.db2.gz IXPQBYMQKROIBM-UHFFFAOYSA-N 0 1 220.251 2.431 20 0 BEADMN CCCOC[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587221 978634398 /nfs/dbraw/zinc/63/43/98/978634398.db2.gz OBKMUEYJIAMVGD-SSDOTTSWSA-N 0 1 246.694 2.030 20 0 BEADMN COc1ccc(C(=O)Cc2cn[nH]c2C)cc1 ZINC001249904488 978641816 /nfs/dbraw/zinc/64/18/16/978641816.db2.gz XSZACVYOUQYXEB-UHFFFAOYSA-N 0 1 230.267 2.152 20 0 BEADMN COc1ccc(CN2CCC[C@H]3C[C@H]32)nc1C ZINC001249914290 978656522 /nfs/dbraw/zinc/65/65/22/978656522.db2.gz SCUQFHPICKXHJH-WCQYABFASA-N 0 1 232.327 2.383 20 0 BEADMN Cc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600191254 978674236 /nfs/dbraw/zinc/67/42/36/978674236.db2.gz DSJNOGVNPKZYDI-AOOOYVTPSA-N 0 1 236.315 2.394 20 0 BEADMN Cc1c[nH]cc1C(=O)Nc1ccc2cncn2c1 ZINC001179304586 978687861 /nfs/dbraw/zinc/68/78/61/978687861.db2.gz TXBMIVPFLTWVFQ-UHFFFAOYSA-N 0 1 240.266 2.223 20 0 BEADMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)[O-])C2)cc1 ZINC001600395261 978688634 /nfs/dbraw/zinc/68/86/34/978688634.db2.gz CAWJFWSVSMNLLW-DGCLKSJQSA-N 0 1 233.311 2.257 20 0 BEADMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)[O-])C2)cc1 ZINC001600395263 978689775 /nfs/dbraw/zinc/68/97/75/978689775.db2.gz CAWJFWSVSMNLLW-YPMHNXCESA-N 0 1 233.311 2.257 20 0 BEADMN Cc1cccc(N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)[nH+]1 ZINC001600542780 978700301 /nfs/dbraw/zinc/70/03/01/978700301.db2.gz NZLSRNLSRBXLOG-KXNHARMFSA-N 0 1 246.310 2.301 20 0 BEADMN Cc1ccc[nH+]c1NCCC(C)(C)C(=O)[O-] ZINC001600592515 978703345 /nfs/dbraw/zinc/70/33/45/978703345.db2.gz HGKJQLXVNLJZTN-UHFFFAOYSA-N 0 1 222.288 2.303 20 0 BEADMN Cc1cccnc1C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC001600591513 978704680 /nfs/dbraw/zinc/70/46/80/978704680.db2.gz RCNPBOVUTCLSQJ-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cn1cnc(CNC/C=C\c2cccc(F)c2)c1 ZINC001179772145 978748848 /nfs/dbraw/zinc/74/88/48/978748848.db2.gz XACSIPIHAXARJU-HYXAFXHYSA-N 0 1 245.301 2.362 20 0 BEADMN C[C@H](NC(=O)C(F)(F)C(F)(F)Cl)C1CC1 ZINC001179780129 978750590 /nfs/dbraw/zinc/75/05/90/978750590.db2.gz QJZBJWNRWHDDIF-BYPYZUCNSA-N 0 1 247.619 2.368 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN1CCNC(=O)[C@H]1C ZINC001179993328 978804426 /nfs/dbraw/zinc/80/44/26/978804426.db2.gz JMJUPCPJWLFNHW-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC001601637829 978822280 /nfs/dbraw/zinc/82/22/80/978822280.db2.gz FUNCNCPFMKCIHN-OLZOCXBDSA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])[C@@H](c1cccnc1)[N@H+]1CCCC2(CC2)C1 ZINC001601698934 978831253 /nfs/dbraw/zinc/83/12/53/978831253.db2.gz SHNRPTBDNRXXCS-GFCCVEGCSA-N 0 1 246.310 2.083 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](F)C1 ZINC001601810258 978852764 /nfs/dbraw/zinc/85/27/64/978852764.db2.gz AJUDUPZPANUVTI-SDDRHHMPSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H](Cc1cccs1)Nc1nccnc1CN ZINC001339531488 978864548 /nfs/dbraw/zinc/86/45/48/978864548.db2.gz CQZONTVMJYOCDV-VIFPVBQESA-N 0 1 248.355 2.040 20 0 BEADMN CC(C)CC1(CNc2nccnc2CN)CC1 ZINC001339610548 978877595 /nfs/dbraw/zinc/87/75/95/978877595.db2.gz QNNQSLGLAMFORL-UHFFFAOYSA-N 0 1 234.347 2.174 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccc(F)nc2)C1 ZINC001339604982 978878249 /nfs/dbraw/zinc/87/82/49/978878249.db2.gz XVDAKVNLKAYJSP-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC001602008295 978881144 /nfs/dbraw/zinc/88/11/44/978881144.db2.gz GYBPUYPXWIQODO-UHFFFAOYSA-N 0 1 237.299 2.499 20 0 BEADMN COc1cnc(F)c(CN[C@H]2C=CCCC2)c1 ZINC001339766238 978907255 /nfs/dbraw/zinc/90/72/55/978907255.db2.gz PFOWUGJOAYWWNO-NSHDSACASA-N 0 1 236.290 2.428 20 0 BEADMN NCc1nccnc1N[C@@H]1CCCC2(CC2)C1 ZINC001339841770 978921660 /nfs/dbraw/zinc/92/16/60/978921660.db2.gz ZGYGXZKZKBCEBU-SNVBAGLBSA-N 0 1 232.331 2.070 20 0 BEADMN Cc1c(F)ccc(O[C@H]2CCN(C)C2)c1F ZINC001234930894 978933160 /nfs/dbraw/zinc/93/31/60/978933160.db2.gz NURDNJQAHRZDGC-VIFPVBQESA-N 0 1 227.254 2.356 20 0 BEADMN CCOCCN(C)Cc1cccn1C(F)F ZINC001180786715 978943062 /nfs/dbraw/zinc/94/30/62/978943062.db2.gz IOBFVPVNNGFCDS-UHFFFAOYSA-N 0 1 232.274 2.352 20 0 BEADMN CCCN(Cc1ncc(F)cn1)CC(C)C ZINC001235013472 978952651 /nfs/dbraw/zinc/95/26/51/978952651.db2.gz QDZQVNHJMLTUDO-UHFFFAOYSA-N 0 1 225.311 2.484 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)C[C@@H]1O ZINC001235242008 979003129 /nfs/dbraw/zinc/00/31/29/979003129.db2.gz XQFAKHLPJGKTJW-ZANVPECISA-N 0 1 248.301 2.120 20 0 BEADMN C[C@H]1CN(Cc2cc3cccc(F)c3[nH]2)C[C@@H]1O ZINC001235242008 979003135 /nfs/dbraw/zinc/00/31/35/979003135.db2.gz XQFAKHLPJGKTJW-ZANVPECISA-N 0 1 248.301 2.120 20 0 BEADMN CCc1cccc(CN2CC[C@@H](C(C)=O)C2)n1 ZINC001235256715 979009068 /nfs/dbraw/zinc/00/90/68/979009068.db2.gz BCRQNFITMQCYQV-GFCCVEGCSA-N 0 1 232.327 2.055 20 0 BEADMN CCc1cccc(CN(C)CCSC)n1 ZINC001235262764 979013948 /nfs/dbraw/zinc/01/39/48/979013948.db2.gz FPKVXAPJGIFOPM-UHFFFAOYSA-N 0 1 224.373 2.439 20 0 BEADMN CCCN(CC)Cc1cc(OC)ncc1F ZINC001235319079 979023116 /nfs/dbraw/zinc/02/31/16/979023116.db2.gz HRNSZOLCVSYEHP-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN COc1cc(CN2C[C@H]3CC[C@@H]2C3)c(F)cn1 ZINC001235328180 979025798 /nfs/dbraw/zinc/02/57/98/979025798.db2.gz YBKFAOTZHIYPIV-GXSJLCMTSA-N 0 1 236.290 2.214 20 0 BEADMN CCC[C@@H](C)CC(=O)NCCCN(C)CCF ZINC001235349333 979030696 /nfs/dbraw/zinc/03/06/96/979030696.db2.gz CAQGOVKPVUKNJN-GFCCVEGCSA-N 0 1 246.370 2.220 20 0 BEADMN Cc1ncn(C)c1CN(C)Cc1ccccc1 ZINC001235540211 979088380 /nfs/dbraw/zinc/08/83/80/979088380.db2.gz IVTVTOJQHUILLX-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1ncn(C)c1C[N@@H+](CC1CC1)C1CC1 ZINC001235554449 979097281 /nfs/dbraw/zinc/09/72/81/979097281.db2.gz AQDCNPXIIFNDQP-UHFFFAOYSA-N 0 1 219.332 2.103 20 0 BEADMN CC1CN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235682486 979116019 /nfs/dbraw/zinc/11/60/19/979116019.db2.gz KKFAIPNARCLXGA-UHFFFAOYSA-N 0 1 219.263 2.154 20 0 BEADMN C[C@@H]1CCN(CCCC(C)(F)F)[C@H](C(N)=O)C1 ZINC001341174645 979260909 /nfs/dbraw/zinc/26/09/09/979260909.db2.gz MWXJZPQGTLCIND-ZJUUUORDSA-N 0 1 248.317 2.008 20 0 BEADMN Nc1cccnc1-c1c(F)cc(F)c(O)c1F ZINC001235986477 979268216 /nfs/dbraw/zinc/26/82/16/979268216.db2.gz SANRDFDJKZWWQP-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Nc1cc(-c2c(F)cc(F)c(O)c2F)ccn1 ZINC001235999062 979294683 /nfs/dbraw/zinc/29/46/83/979294683.db2.gz WLVAKGIXIWRKKK-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN CCn1ccc(CN(C)Cc2ccc(N)nc2)c1 ZINC001341342106 979346067 /nfs/dbraw/zinc/34/60/67/979346067.db2.gz BCXHZLLPULRLRN-UHFFFAOYSA-N 0 1 244.342 2.117 20 0 BEADMN CN[C@@H]1CCN1Cc1cc(C)c(C)cc1C ZINC001236166000 979417698 /nfs/dbraw/zinc/41/76/98/979417698.db2.gz CLHFLURJYSEUTO-AWEZNQCLSA-N 0 1 218.344 2.363 20 0 BEADMN CN[C@H]1CCN1Cc1ccc(OCC(C)C)cc1 ZINC001236167079 979419795 /nfs/dbraw/zinc/41/97/95/979419795.db2.gz PEXBKLDOWGGMFC-OAHLLOKOSA-N 0 1 248.370 2.473 20 0 BEADMN CCCn1cc(CN2CC(C3CC3)C2)c(C)n1 ZINC001182072359 979433568 /nfs/dbraw/zinc/43/35/68/979433568.db2.gz OBSRUNLZHYUIKH-UHFFFAOYSA-N 0 1 233.359 2.443 20 0 BEADMN CN1CCN(c2cccc(C3CC3)c2)CC1 ZINC001250035117 979446882 /nfs/dbraw/zinc/44/68/82/979446882.db2.gz ZYUYLMVLRWKUHN-UHFFFAOYSA-N 0 1 216.328 2.316 20 0 BEADMN CC[N@@H+](CCSC)CCC1(C(=O)[O-])CCC1 ZINC001603747397 979511203 /nfs/dbraw/zinc/51/12/03/979511203.db2.gz KNYQGULFDOXFAX-UHFFFAOYSA-N 0 1 245.388 2.316 20 0 BEADMN Nc1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC001236312427 979515928 /nfs/dbraw/zinc/51/59/28/979515928.db2.gz PPUPCDULSOIKPY-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001603792773 979522119 /nfs/dbraw/zinc/52/21/19/979522119.db2.gz FLCFSZUORISJMG-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN CCCC1CCN(C(=O)C2(N(C)C)CC2)CC1 ZINC001182597010 979559788 /nfs/dbraw/zinc/55/97/88/979559788.db2.gz GLQOYAGCAOKBBU-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](C(=O)OCc1ccc2[nH]nnc2c1)C1CC1 ZINC001341898638 979590662 /nfs/dbraw/zinc/59/06/62/979590662.db2.gz LUZNILVTVWLRHR-QMMMGPOBSA-N 0 1 245.282 2.047 20 0 BEADMN C[C@H](C(=O)OCc1ccc2nn[nH]c2c1)C1CC1 ZINC001341898638 979590670 /nfs/dbraw/zinc/59/06/70/979590670.db2.gz LUZNILVTVWLRHR-QMMMGPOBSA-N 0 1 245.282 2.047 20 0 BEADMN CCc1nc(NC(=O)C=C(C2CC2)C2CC2)n[nH]1 ZINC001341910676 979593146 /nfs/dbraw/zinc/59/31/46/979593146.db2.gz WHAJWNHORGRSMY-UHFFFAOYSA-N 0 1 246.314 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C(C2CC2)C2CC2)n1 ZINC001341910676 979593152 /nfs/dbraw/zinc/59/31/52/979593152.db2.gz WHAJWNHORGRSMY-UHFFFAOYSA-N 0 1 246.314 2.052 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C[Si](C)(C)C)C1 ZINC001604496166 979664747 /nfs/dbraw/zinc/66/47/47/979664747.db2.gz FXARDKHJKWPFEK-LLVKDONJSA-N 0 1 229.396 2.051 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](C[Si](C)(C)C)C1 ZINC001604496169 979665610 /nfs/dbraw/zinc/66/56/10/979665610.db2.gz FXARDKHJKWPFEK-NSHDSACASA-N 0 1 229.396 2.051 20 0 BEADMN Oc1cncc(-c2cccc3cncn32)c1 ZINC001236583888 979665809 /nfs/dbraw/zinc/66/58/09/979665809.db2.gz WAVFQFCZQTUUGC-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN Cc1c(C(=O)NOC(C)(C)C)ccc2cncn21 ZINC001342119464 979667157 /nfs/dbraw/zinc/66/71/57/979667157.db2.gz SGSSNMQONFKJAV-UHFFFAOYSA-N 0 1 247.298 2.103 20 0 BEADMN C[C@@H]1NCCn2c(C(=O)N(C)C(C)(C)C)ccc21 ZINC001342127929 979672161 /nfs/dbraw/zinc/67/21/61/979672161.db2.gz JTKVEPJYJPTVFJ-JTQLQIEISA-N 0 1 249.358 2.023 20 0 BEADMN Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)o1 ZINC001236590749 979673162 /nfs/dbraw/zinc/67/31/62/979673162.db2.gz DYORGBMWOJNXQM-GARJFASQSA-N 0 1 224.279 2.224 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])n2C)C1 ZINC001604615175 979684851 /nfs/dbraw/zinc/68/48/51/979684851.db2.gz GWKAXBXVXJTFLC-JTQLQIEISA-N 0 1 248.326 2.121 20 0 BEADMN CCC[N@H+](CCOC)Cc1ccc(F)c([O-])c1 ZINC001236703309 979696017 /nfs/dbraw/zinc/69/60/17/979696017.db2.gz MYAWCVYBBBENIQ-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN CCC[N@@H+](CCOC)Cc1ccc(F)c([O-])c1 ZINC001236703309 979696020 /nfs/dbraw/zinc/69/60/20/979696020.db2.gz MYAWCVYBBBENIQ-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(F)c(O)c2)C1 ZINC001236703810 979696741 /nfs/dbraw/zinc/69/67/41/979696741.db2.gz RBWPDRMLXHCXSC-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001604698263 979705448 /nfs/dbraw/zinc/70/54/48/979705448.db2.gz PCVCJXIHPMFGSJ-KATARQTJSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@@H]1CC[N@@H+](C[Si](C)(C)C)[C@H](C(=O)[O-])C1 ZINC001604753635 979714269 /nfs/dbraw/zinc/71/42/69/979714269.db2.gz GGARYYHNZUZOHA-ZJUUUORDSA-N 0 1 229.396 2.049 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1cccc2occc21 ZINC001236735185 979715343 /nfs/dbraw/zinc/71/53/43/979715343.db2.gz NQAMRFQJSWZTIB-NEPJUHHUSA-N 0 1 249.285 2.338 20 0 BEADMN CO[C@H]1CN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC001205255998 979745644 /nfs/dbraw/zinc/74/56/44/979745644.db2.gz NGPIPYMLEXSSPT-JSGCOSHPSA-N 0 1 248.301 2.337 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC001604924136 979773051 /nfs/dbraw/zinc/77/30/51/979773051.db2.gz MKAZWGPWXRQWIM-PSASIEDQSA-N 0 1 231.723 2.314 20 0 BEADMN Fc1ccc(CN2CC3(COC3)C2)c2occc21 ZINC001236889835 979784774 /nfs/dbraw/zinc/78/47/74/979784774.db2.gz GOYZVCLIHCIXGR-UHFFFAOYSA-N 0 1 247.269 2.404 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1[C@H]1C=CCCC1 ZINC001604998981 979795250 /nfs/dbraw/zinc/79/52/50/979795250.db2.gz ADFSTOKRHXKYRM-GRYCIOLGSA-N 0 1 223.316 2.423 20 0 BEADMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)CN)c21 ZINC001342534026 979822787 /nfs/dbraw/zinc/82/27/87/979822787.db2.gz ABPCVMWTWBASSY-SECBINFHSA-N 0 1 232.327 2.369 20 0 BEADMN CCN(Cc1sc(=O)[nH]c1Cl)C1CC1 ZINC001237160048 979823280 /nfs/dbraw/zinc/82/32/80/979823280.db2.gz FCUKXGAMYZRMMG-UHFFFAOYSA-N 0 1 232.736 2.486 20 0 BEADMN CC[C@H]1CCC[N@H+]1C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605167014 979826057 /nfs/dbraw/zinc/82/60/57/979826057.db2.gz UXPHMZXTCWSUPX-QWRGUYRKSA-N 0 1 239.315 2.008 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001605172541 979829675 /nfs/dbraw/zinc/82/96/75/979829675.db2.gz UCWUKOJBUOFZHP-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C2CC2)C[C@@H]1C ZINC001183745026 979881958 /nfs/dbraw/zinc/88/19/58/979881958.db2.gz IUQVSMAGLFGEQL-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC001342848426 979916215 /nfs/dbraw/zinc/91/62/15/979916215.db2.gz QPKWZCYLZQXJJE-NSHDSACASA-N 0 1 239.315 2.147 20 0 BEADMN CCc1ccc[nH+]c1N[C@H](C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001605835756 979920182 /nfs/dbraw/zinc/92/01/82/979920182.db2.gz ARYHIGURWRFDMT-IEBDPFPHSA-N 0 1 234.299 2.165 20 0 BEADMN COCCN(C)Cc1cccc(C)c1OC ZINC001237502461 979922475 /nfs/dbraw/zinc/92/24/75/979922475.db2.gz CIKKSMAOIYQKHO-UHFFFAOYSA-N 0 1 223.316 2.082 20 0 BEADMN COC[C@@H]1CN(CCCCC(C)C)CCO1 ZINC001342865332 979922618 /nfs/dbraw/zinc/92/26/18/979922618.db2.gz YWYHJXGYRNHITF-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN c1cc2cc(CN3CC4(CCC4)C3)ccn2n1 ZINC001237538117 979933583 /nfs/dbraw/zinc/93/35/83/979933583.db2.gz JDAYUKUWTGCURS-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN c1csc([C@@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237601714 979960487 /nfs/dbraw/zinc/96/04/87/979960487.db2.gz DIGXXDFLTBTGEV-VIFPVBQESA-N 0 1 234.328 2.203 20 0 BEADMN C(CC1CC1)NCc1nnc(C2CC2)s1 ZINC001342961518 979960748 /nfs/dbraw/zinc/96/07/48/979960748.db2.gz RQUDTJLEQJWVSK-UHFFFAOYSA-N 0 1 223.345 2.305 20 0 BEADMN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C[C@@H]1CC1(C)C ZINC001606145521 979962608 /nfs/dbraw/zinc/96/26/08/979962608.db2.gz CVIGBOBTGZCAIR-JTQLQIEISA-N 0 1 236.315 2.191 20 0 BEADMN O=C([O-])CCC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC001606172019 979968322 /nfs/dbraw/zinc/96/83/22/979968322.db2.gz JOAXOTJBBMYASP-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN O=C([O-])CCC[N@H+]1CCSC[C@H]1C1CCC1 ZINC001606172020 979970302 /nfs/dbraw/zinc/97/03/02/979970302.db2.gz JOAXOTJBBMYASP-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CO[C@H](C)C1 ZINC001343077138 979999491 /nfs/dbraw/zinc/99/94/91/979999491.db2.gz KGSCJVQSPGQEES-ZJUUUORDSA-N 0 1 239.290 2.101 20 0 BEADMN Cc1coc(CN2CC[C@H](c3cccnc3)C2)n1 ZINC001237645223 979999593 /nfs/dbraw/zinc/99/95/93/979999593.db2.gz JUTUEQWZCBYXDL-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CCc1[nH]ncc1CN1Cc2nc(C)sc2C1 ZINC001237653196 980010711 /nfs/dbraw/zinc/01/07/11/980010711.db2.gz FBNYMESKXSGTSR-UHFFFAOYSA-N 0 1 248.355 2.253 20 0 BEADMN CCc1[nH]ncc1CN(C)Cc1nccs1 ZINC001237657708 980022304 /nfs/dbraw/zinc/02/23/04/980022304.db2.gz HHXBNWMKBQHFSX-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN FCC(CF)NCCCC(F)(F)F ZINC001343188630 980036127 /nfs/dbraw/zinc/03/61/27/980036127.db2.gz LLISQCQUTVELGP-UHFFFAOYSA-N 0 1 205.170 2.226 20 0 BEADMN CCCN(Cc1ncc(C)cn1)C1CCOCC1 ZINC001237807921 980053726 /nfs/dbraw/zinc/05/37/26/980053726.db2.gz SECCIXTYMWXPFZ-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1ncc(C)cn1 ZINC001237806679 980057323 /nfs/dbraw/zinc/05/73/23/980057323.db2.gz UZJQQDGLJXIIRE-GFCCVEGCSA-N 0 1 249.358 2.174 20 0 BEADMN COCCN(Cc1ccc(F)c(C)n1)C(C)C ZINC001237818444 980064261 /nfs/dbraw/zinc/06/42/61/980064261.db2.gz TYRNEOJCECRANX-UHFFFAOYSA-N 0 1 240.322 2.386 20 0 BEADMN CCc1ncc(CN2CC([C@@H](C)OC)C2)s1 ZINC001237830936 980069601 /nfs/dbraw/zinc/06/96/01/980069601.db2.gz RVLMPHADOCHKGO-SECBINFHSA-N 0 1 240.372 2.172 20 0 BEADMN Cc1nc(CN2C[C@H]3[C@H](CF)[C@H]3C2)ccc1F ZINC001237822970 980070363 /nfs/dbraw/zinc/07/03/63/980070363.db2.gz XPIVNFSYDXPWIX-CNDDSTCGSA-N 0 1 238.281 2.176 20 0 BEADMN CSCCN(C)Cc1ccc(F)c(C)n1 ZINC001237828195 980070650 /nfs/dbraw/zinc/07/06/50/980070650.db2.gz QJEWGWWMDPBXAM-UHFFFAOYSA-N 0 1 228.336 2.324 20 0 BEADMN CC[C@@H]([NH2+]Cc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC001184453593 980085768 /nfs/dbraw/zinc/08/57/68/980085768.db2.gz XUVNQGOLFXIJOB-SSDOTTSWSA-N 0 1 248.252 2.102 20 0 BEADMN CC[N@@H+](Cc1ccccc1)Cc1c[nH]ccc1=O ZINC001237841303 980092065 /nfs/dbraw/zinc/09/20/65/980092065.db2.gz KPWCRRYBFLUUAI-UHFFFAOYSA-N 0 1 242.322 2.397 20 0 BEADMN COc1cccc2c1C[N@H+](C/C(C)=C/C(=O)[O-])C2 ZINC001607332806 980097108 /nfs/dbraw/zinc/09/71/08/980097108.db2.gz WQIQBZAXYPTBQV-UXBLZVDNSA-N 0 1 247.294 2.042 20 0 BEADMN COc1cccc2c1C[N@@H+](C/C(C)=C/C(=O)[O-])C2 ZINC001607332806 980097120 /nfs/dbraw/zinc/09/71/20/980097120.db2.gz WQIQBZAXYPTBQV-UXBLZVDNSA-N 0 1 247.294 2.042 20 0 BEADMN COc1ccoc1CN1CCC[C@](C)(O)CC1 ZINC001237864629 980101163 /nfs/dbraw/zinc/10/11/63/980101163.db2.gz URFAGNIWQUXVKJ-ZDUSSCGKSA-N 0 1 239.315 2.025 20 0 BEADMN COc1ccoc1CN1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001237871519 980106217 /nfs/dbraw/zinc/10/62/17/980106217.db2.gz HHEHYJKCLBFGIH-MNOVXSKESA-N 0 1 249.310 2.089 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC1(C2CC2)CC1 ZINC001343451434 980113961 /nfs/dbraw/zinc/11/39/61/980113961.db2.gz MHPYWCMCNTXXAX-LBPRGKRZSA-N 0 1 237.343 2.345 20 0 BEADMN Oc1c(F)cc(CN2CCCO2)cc1Cl ZINC001237982969 980120000 /nfs/dbraw/zinc/12/00/00/980120000.db2.gz BKKGOHOYVZIQRB-UHFFFAOYSA-N 0 1 231.654 2.322 20 0 BEADMN Oc1c(F)cc(CN2CCOCC2)cc1Cl ZINC001237988899 980122387 /nfs/dbraw/zinc/12/23/87/980122387.db2.gz IUUGTNUCASVEOK-UHFFFAOYSA-N 0 1 245.681 2.017 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343483300 980125061 /nfs/dbraw/zinc/12/50/61/980125061.db2.gz CUEBNPWQBFIUGK-NXEZZACHSA-N 0 1 245.282 2.047 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343483300 980125066 /nfs/dbraw/zinc/12/50/66/980125066.db2.gz CUEBNPWQBFIUGK-NXEZZACHSA-N 0 1 245.282 2.047 20 0 BEADMN Clc1ccc2c(c1)n[nH]c2CN1CCC1 ZINC001237991602 980125929 /nfs/dbraw/zinc/12/59/29/980125929.db2.gz CETUCDWVNHNWRF-UHFFFAOYSA-N 0 1 221.691 2.422 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001608047875 980156898 /nfs/dbraw/zinc/15/68/98/980156898.db2.gz DKQXBEZQTKNBRT-GFCCVEGCSA-N 0 1 235.283 2.271 20 0 BEADMN Cn1c(C[N@H+]2CCCC2(C)C)ccc1C(=O)[O-] ZINC001608087760 980158119 /nfs/dbraw/zinc/15/81/19/980158119.db2.gz PTCJTZCWSSPGHX-UHFFFAOYSA-N 0 1 236.315 2.098 20 0 BEADMN F[C@@H]1CCCN(Cc2cccc3cncn32)C1 ZINC001238113837 980159639 /nfs/dbraw/zinc/15/96/39/980159639.db2.gz MXKKBWJCCHQKGU-LLVKDONJSA-N 0 1 233.290 2.268 20 0 BEADMN Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)CCF ZINC001238144961 980174418 /nfs/dbraw/zinc/17/44/18/980174418.db2.gz ZYOJCUNKTFHEMY-UHFFFAOYSA-N 0 1 225.263 2.095 20 0 BEADMN Nc1ccnc(F)c1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001238150622 980176174 /nfs/dbraw/zinc/17/61/74/980176174.db2.gz UFZMXPXTNAHVMI-QWRGUYRKSA-N 0 1 249.333 2.425 20 0 BEADMN Nc1ccnc(F)c1CN1CC[C@H]2CCC[C@H]2C1 ZINC001238150621 980177034 /nfs/dbraw/zinc/17/70/34/980177034.db2.gz UFZMXPXTNAHVMI-MNOVXSKESA-N 0 1 249.333 2.425 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1c(N)ccnc1F ZINC001238155011 980180995 /nfs/dbraw/zinc/18/09/95/980180995.db2.gz ATOJNDQECWPCCA-VHSXEESVSA-N 0 1 237.322 2.423 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2c(N)ccnc2F)C1 ZINC001238159163 980187188 /nfs/dbraw/zinc/18/71/88/980187188.db2.gz GVUXNRGSBVOGMX-NXEZZACHSA-N 0 1 237.322 2.281 20 0 BEADMN CC[C@@H](NC(=O)C(F)(F)CC)C(F)(F)F ZINC001608276683 980202687 /nfs/dbraw/zinc/20/26/87/980202687.db2.gz WICZQZPEUBIPOT-RXMQYKEDSA-N 0 1 233.180 2.489 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ncc(C)cc2C)C1 ZINC001238434386 980261192 /nfs/dbraw/zinc/26/11/92/980261192.db2.gz CPMPLCGABPRRAK-LBPRGKRZSA-N 0 1 234.343 2.165 20 0 BEADMN CCN(Cc1cnc(F)c(OC)c1)C1CC1 ZINC001238448207 980265118 /nfs/dbraw/zinc/26/51/18/980265118.db2.gz NKLDERNGSJSDRO-UHFFFAOYSA-N 0 1 224.279 2.214 20 0 BEADMN COc1cc(CN2CCC[C@@H]2C)cnc1F ZINC001238448280 980266098 /nfs/dbraw/zinc/26/60/98/980266098.db2.gz PWZYQNJNTAULIR-VIFPVBQESA-N 0 1 224.279 2.214 20 0 BEADMN COc1cc(CN2CCC(C)CC2)cnc1F ZINC001238448266 980269410 /nfs/dbraw/zinc/26/94/10/980269410.db2.gz PGHCLHGCYAGQIV-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN Cn1ccnc1[C@@H](NC/C=C\C1CC1)C1CC1 ZINC001343925393 980277238 /nfs/dbraw/zinc/27/72/38/980277238.db2.gz DOPBWWHZZXJLAS-ZRMMWKCHSA-N 0 1 231.343 2.427 20 0 BEADMN Cc1cc(CN2CCC[C@H](O)C2)cnc1C1CC1 ZINC001238616083 980302990 /nfs/dbraw/zinc/30/29/90/980302990.db2.gz KZPONGIMRVWOFR-AWEZNQCLSA-N 0 1 246.354 2.224 20 0 BEADMN Cc1c(C(=O)N2C[C@H](C)[C@@H]2C)ccc2cncn21 ZINC001344015831 980312465 /nfs/dbraw/zinc/31/24/65/980312465.db2.gz GHMAHQCNIKEBKZ-UWVGGRQHSA-N 0 1 243.310 2.123 20 0 BEADMN CCOc1cc(CN(C)CC2CC2)c(F)cn1 ZINC001238730521 980317236 /nfs/dbraw/zinc/31/72/36/980317236.db2.gz VQGQDURWLLUPJF-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN FC(F)n1cc(-c2cc3nc[nH]c3cn2)cn1 ZINC001238858026 980348104 /nfs/dbraw/zinc/34/81/04/980348104.db2.gz DOJUZBITYWDNAR-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001344252053 980358409 /nfs/dbraw/zinc/35/84/09/980358409.db2.gz ZZXIOKYRSIZFRH-RWMBFGLXSA-N 0 1 237.343 2.062 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1CCC=CCCC1 ZINC001344251582 980358953 /nfs/dbraw/zinc/35/89/53/980358953.db2.gz PBYNCHRSTQSUAB-ZDUSSCGKSA-N 0 1 237.343 2.372 20 0 BEADMN CCOCc1cncc(-c2cc(N)ccn2)c1 ZINC001238909669 980366099 /nfs/dbraw/zinc/36/60/99/980366099.db2.gz MYAIFJCCOYHLQM-UHFFFAOYSA-N 0 1 229.283 2.262 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1(C(F)(F)F)CC1 ZINC001344532150 980416408 /nfs/dbraw/zinc/41/64/08/980416408.db2.gz OEHDVMAIHZVSPW-UHFFFAOYSA-N 0 1 248.204 2.217 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1cnccc1C ZINC001344598597 980441877 /nfs/dbraw/zinc/44/18/77/980441877.db2.gz YXBFLZLIUBIMHZ-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN Cc1nc2cccc(C(=O)NC3(C)CC3)c2[nH]1 ZINC001344706725 980457384 /nfs/dbraw/zinc/45/73/84/980457384.db2.gz OBZUITGGDOXPLE-UHFFFAOYSA-N 0 1 229.283 2.154 20 0 BEADMN O=C(OCCc1c[nH]nn1)[C@H]1CCC=CCCC1 ZINC001344740044 980458843 /nfs/dbraw/zinc/45/88/43/980458843.db2.gz VUFLQBOMEXODHJ-NSHDSACASA-N 0 1 249.314 2.027 20 0 BEADMN O=C(OCCc1cnn[nH]1)[C@H]1CCC=CCCC1 ZINC001344740044 980458846 /nfs/dbraw/zinc/45/88/46/980458846.db2.gz VUFLQBOMEXODHJ-NSHDSACASA-N 0 1 249.314 2.027 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@]12C[C@H]1CCCC2 ZINC001344825435 980476820 /nfs/dbraw/zinc/47/68/20/980476820.db2.gz QQPWIEZUKWVFPD-MFKMUULPSA-N 0 1 234.299 2.455 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3CCC=N3)ccc12 ZINC001187365592 980504346 /nfs/dbraw/zinc/50/43/46/980504346.db2.gz NSAVKLPSUUOEHG-NSHDSACASA-N 0 1 242.282 2.043 20 0 BEADMN CCCCC(N)=NOCC[C@H]1CCOC1 ZINC001345156962 980565839 /nfs/dbraw/zinc/56/58/39/980565839.db2.gz ZQFIVIHRUILFBE-SNVBAGLBSA-N 0 1 214.309 2.102 20 0 BEADMN CCc1ccc(NC(=O)c2cn[nH]c2C)c(O)c1 ZINC001188059027 980582765 /nfs/dbraw/zinc/58/27/65/980582765.db2.gz ULRPZAKONWYDAS-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C[C@H]1CN(C(=S)Nc2ccccc2)C[C@H](C)N1 ZINC001239460512 980587818 /nfs/dbraw/zinc/58/78/18/980587818.db2.gz KZSRORUGTBGUMH-QWRGUYRKSA-N 0 1 249.383 2.066 20 0 BEADMN NC(=O)CCCCCc1cccc2nc[nH]c21 ZINC001250272212 980628080 /nfs/dbraw/zinc/62/80/80/980628080.db2.gz JMDHPCXRCPEQKV-UHFFFAOYSA-N 0 1 231.299 2.151 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1cccnc1C ZINC001345624848 980651371 /nfs/dbraw/zinc/65/13/71/980651371.db2.gz BJZDDAYNVXROAU-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN CN(C)Cc1ccc(C2=CCOC2)cc1F ZINC001239493807 980651894 /nfs/dbraw/zinc/65/18/94/980651894.db2.gz DTLNBQCHQCCDJJ-UHFFFAOYSA-N 0 1 221.275 2.301 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H](C)C1CCC1 ZINC001345808572 980689116 /nfs/dbraw/zinc/68/91/16/980689116.db2.gz CYRFUVNZMSQODF-SMDDNHRTSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H](C)C1CCC1 ZINC001345808569 980690861 /nfs/dbraw/zinc/69/08/61/980690861.db2.gz CYRFUVNZMSQODF-BXUZGUMPSA-N 0 1 246.354 2.300 20 0 BEADMN CCOc1ccccc1-c1cnc(CN)nc1 ZINC001239559446 980741111 /nfs/dbraw/zinc/74/11/11/980741111.db2.gz TXQSJPNAWSMONN-UHFFFAOYSA-N 0 1 229.283 2.001 20 0 BEADMN Fc1cccc(F)c1-c1cc2c(nn1)CNC2 ZINC001239572312 980762867 /nfs/dbraw/zinc/76/28/67/980762867.db2.gz LKLHZLXOWVPALU-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Oc1cccnc1Nc1ccc2cncn2c1 ZINC001250324161 980765091 /nfs/dbraw/zinc/76/50/91/980765091.db2.gz PRFORTXFYJPOMA-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CCCC1(F)F ZINC001346158626 980771797 /nfs/dbraw/zinc/77/17/97/980771797.db2.gz LYZKTUYACWEFGL-QMMMGPOBSA-N 0 1 244.241 2.310 20 0 BEADMN Fc1ccc(-c2ncnc3c2CNC3)cc1F ZINC001239581760 980772256 /nfs/dbraw/zinc/77/22/56/980772256.db2.gz YAZHJCJDJXTRJM-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CC[C@H](c1ccncc1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC001595364017 980789050 /nfs/dbraw/zinc/78/90/50/980789050.db2.gz MSSJELHQSJIFOM-GFCCVEGCSA-N 0 1 248.326 2.329 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1ccncc1 ZINC001239610576 980807321 /nfs/dbraw/zinc/80/73/21/980807321.db2.gz PGAGHBZPHLHADV-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1nc2c[nH]cc(-c3ccncc3)c-2n1 ZINC001239612135 980810177 /nfs/dbraw/zinc/81/01/77/980810177.db2.gz YGLSQSDWWZXFJN-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1nc2c(cncc2-c2ccncc2)[nH]1 ZINC001239612135 980810179 /nfs/dbraw/zinc/81/01/79/980810179.db2.gz YGLSQSDWWZXFJN-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001595370653 980843440 /nfs/dbraw/zinc/84/34/40/980843440.db2.gz AGXJXUDKCLNRNR-WCABBAIRSA-N 0 1 247.285 2.074 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1ccoc1 ZINC001239690105 980848513 /nfs/dbraw/zinc/84/85/13/980848513.db2.gz WMWNTOWHIGZIOD-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN Cc1noc(Cc2ccc3n[nH]c(C)c3c2)n1 ZINC001250356038 980856082 /nfs/dbraw/zinc/85/60/82/980856082.db2.gz NOESFWCFXIYGLW-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Fc1ccc(F)c(-c2ncnc3c2CNC3)c1 ZINC001239709180 980861659 /nfs/dbraw/zinc/86/16/59/980861659.db2.gz FYRQJDJRSDPSQD-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN O=C(Cc1cc(Cl)c(O)cc1F)NC1CC1 ZINC001250380203 980874214 /nfs/dbraw/zinc/87/42/14/980874214.db2.gz NGURUNTUERNYMS-UHFFFAOYSA-N 0 1 243.665 2.006 20 0 BEADMN CCCCNC(=O)Nc1ncc(Cl)cc1O ZINC001190586382 980891894 /nfs/dbraw/zinc/89/18/94/980891894.db2.gz PTXHWXLLJKWKGQ-UHFFFAOYSA-N 0 1 243.694 2.362 20 0 BEADMN Cc1cc(N(C)C)ncc1CC1CCOCC1 ZINC001250393854 980928766 /nfs/dbraw/zinc/92/87/66/980928766.db2.gz XFDREPLSNVYNFY-UHFFFAOYSA-N 0 1 234.343 2.425 20 0 BEADMN Nc1ccc(-c2ccc3cncn3c2)c(F)n1 ZINC001239820522 980964927 /nfs/dbraw/zinc/96/49/27/980964927.db2.gz HGBQJCJSRHXZEC-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN COc1ncc(-c2ccc3nc[nH]c3c2C)cn1 ZINC001239846584 980985533 /nfs/dbraw/zinc/98/55/33/980985533.db2.gz MBLQMPHNWWAILV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001191359584 981023975 /nfs/dbraw/zinc/02/39/75/981023975.db2.gz CMEIMMXPSNMVEC-UHFFFAOYSA-N 0 1 249.701 2.432 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595415281 981027386 /nfs/dbraw/zinc/02/73/86/981027386.db2.gz BWRYVTXPILYYCB-ONGXEEELSA-N 0 1 236.315 2.476 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595415825 981029761 /nfs/dbraw/zinc/02/97/61/981029761.db2.gz LJEKBNILZURKLB-ONGXEEELSA-N 0 1 236.315 2.476 20 0 BEADMN O=S(=O)(CC1CCCC1)Nc1cncs1 ZINC001191489593 981045188 /nfs/dbraw/zinc/04/51/88/981045188.db2.gz NGKXIOCRMBFYPT-UHFFFAOYSA-N 0 1 246.357 2.075 20 0 BEADMN Cc1ccc2nc([C@H]3CCC(=O)N3)[nH]c2c1C ZINC001250431880 981078747 /nfs/dbraw/zinc/07/87/47/981078747.db2.gz UTQLVAWXXIPLQV-SNVBAGLBSA-N 0 1 229.283 2.131 20 0 BEADMN c1cc2cnccc2c(-c2cc3c(nn2)CNC3)c1 ZINC001240007897 981095758 /nfs/dbraw/zinc/09/57/58/981095758.db2.gz PMJIXBOGNJABIU-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Oc1c(F)cc(-c2cnccn2)cc1F ZINC001250442765 981109862 /nfs/dbraw/zinc/10/98/62/981109862.db2.gz MTTJNZJIDJXFIH-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CCCCN1CCN(C(=O)C2CCCC2)CC1 ZINC000078451413 981138262 /nfs/dbraw/zinc/13/82/62/981138262.db2.gz ZPNQRPUDSCEHRS-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC001595463621 981145885 /nfs/dbraw/zinc/14/58/85/981145885.db2.gz AQEGPNSJDSETFG-QMMMGPOBSA-N 0 1 240.328 2.073 20 0 BEADMN Cc1ccc(CN2CC[C@H]3[C@@H](C2)C3(F)F)nc1 ZINC001192389746 981151805 /nfs/dbraw/zinc/15/18/05/981151805.db2.gz IHTCDEXZOSVPEW-NWDGAFQWSA-N 0 1 238.281 2.477 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC001595468484 981163274 /nfs/dbraw/zinc/16/32/74/981163274.db2.gz WXNMWGKKBQWLNH-VIFPVBQESA-N 0 1 223.272 2.271 20 0 BEADMN O[C@@H]1CCCC[C@H]1CN1CCC[C@@H]1c1ncc[nH]1 ZINC001192682272 981181336 /nfs/dbraw/zinc/18/13/36/981181336.db2.gz XKJRVQUQHZFTDP-YNEHKIRRSA-N 0 1 249.358 2.098 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@H](C)c2ccccc21)N(C)C ZINC000078711886 981199977 /nfs/dbraw/zinc/19/99/77/981199977.db2.gz FIRWVYLRQWHWRS-COPLHBTASA-N 0 1 246.354 2.301 20 0 BEADMN CCOc1cncc(CNC(C)(C)CF)c1 ZINC001347920249 981219887 /nfs/dbraw/zinc/21/98/87/981219887.db2.gz UAWALPCHCQVAJT-UHFFFAOYSA-N 0 1 226.295 2.318 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001240257149 981231144 /nfs/dbraw/zinc/23/11/44/981231144.db2.gz KIHZTFYRDQXOBX-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001240257149 981231147 /nfs/dbraw/zinc/23/11/47/981231147.db2.gz KIHZTFYRDQXOBX-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cccc(F)n2)[nH]n1 ZINC001348042846 981258678 /nfs/dbraw/zinc/25/86/78/981258678.db2.gz KHPAVVAEVWZMRR-QMMMGPOBSA-N 0 1 234.278 2.295 20 0 BEADMN CC(C)CSCCCNc1ccnc(N)n1 ZINC001348062333 981268240 /nfs/dbraw/zinc/26/82/40/981268240.db2.gz BPIHRZJECLZWLK-UHFFFAOYSA-N 0 1 240.376 2.250 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@H]1CCO ZINC001348062404 981270048 /nfs/dbraw/zinc/27/00/48/981270048.db2.gz RKCYDNSALSYIDM-NSHDSACASA-N 0 1 238.331 2.145 20 0 BEADMN CCC[C@H](C)CC(=O)NCc1n[nH]c(C)c1C ZINC001348119574 981287944 /nfs/dbraw/zinc/28/79/44/981287944.db2.gz CYMLHQFGGYFJEB-VIFPVBQESA-N 0 1 237.347 2.469 20 0 BEADMN C[C@H](O)[C@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001193345466 981294098 /nfs/dbraw/zinc/29/40/98/981294098.db2.gz CFYZLWNBQNNQEW-UWVGGRQHSA-N 0 1 239.746 2.467 20 0 BEADMN Cc1c(-c2cncc3cc[nH]c32)cnn1C ZINC001240381756 981342001 /nfs/dbraw/zinc/34/20/01/981342001.db2.gz JPMGGSDZZMIIPR-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1c(-c2cccn3cncc23)cnn1C ZINC001240383651 981345304 /nfs/dbraw/zinc/34/53/04/981345304.db2.gz LLWLTQBSQAZDDJ-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)[nH]n2)C[C@@H](CC)O1 ZINC001348634650 981412651 /nfs/dbraw/zinc/41/26/51/981412651.db2.gz VOTFCJNBXWBLEZ-CHWSQXEVSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1sccc1-c1nc(F)nc2nc[nH]c21 ZINC001240498793 981420976 /nfs/dbraw/zinc/42/09/76/981420976.db2.gz JBDBGSRKNGUXCD-UHFFFAOYSA-N 0 1 234.259 2.481 20 0 BEADMN CCCCCOC(=O)N1CCN2CCC1CC2 ZINC001193760743 981444118 /nfs/dbraw/zinc/44/41/18/981444118.db2.gz UWZWKQZLEKASSE-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN Nc1ccnc(-c2ccc(N)cc2F)c1 ZINC001240523978 981459765 /nfs/dbraw/zinc/45/97/65/981459765.db2.gz XPXCKQPNQSUBNC-UHFFFAOYSA-N 0 1 203.220 2.052 20 0 BEADMN Nc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1 ZINC001240526155 981462054 /nfs/dbraw/zinc/46/20/54/981462054.db2.gz BTGQTURJLRCUJS-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001240526155 981462061 /nfs/dbraw/zinc/46/20/61/981462061.db2.gz BTGQTURJLRCUJS-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001349148242 981512056 /nfs/dbraw/zinc/51/20/56/981512056.db2.gz PSMUMCVHCREFCF-NWDGAFQWSA-N 0 1 249.358 2.469 20 0 BEADMN CCC[C@@H](C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1)OC ZINC001595590683 981546216 /nfs/dbraw/zinc/54/62/16/981546216.db2.gz CHSSSYSMTLXFIN-PWSUYJOCSA-N 0 1 243.347 2.129 20 0 BEADMN CCn1cc(-c2cccc3cncn32)cn1 ZINC001240651848 981560807 /nfs/dbraw/zinc/56/08/07/981560807.db2.gz KXMDAIVHZLPOHV-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN CCn1cc(-c2cccn3cncc23)cn1 ZINC001240652500 981562559 /nfs/dbraw/zinc/56/25/59/981562559.db2.gz WGIGALCBBWMASU-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN CN(C)c1ccnc(-c2cnc(C3CC3)nc2)c1 ZINC001240682837 981588618 /nfs/dbraw/zinc/58/86/18/981588618.db2.gz WRDHRKGXAIOESQ-UHFFFAOYSA-N 0 1 240.310 2.482 20 0 BEADMN c1cc2[nH]nnc2c(-c2cnc(C3CC3)nc2)c1 ZINC001240687748 981592353 /nfs/dbraw/zinc/59/23/53/981592353.db2.gz KUKUWVVWXHOOGV-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN CCN1CCN(C(=O)Oc2ccccc2)[C@H](C)C1 ZINC001194247882 981618902 /nfs/dbraw/zinc/61/89/02/981618902.db2.gz PVKDFRVWNOZPFA-GFCCVEGCSA-N 0 1 248.326 2.211 20 0 BEADMN Cc1ncccc1-c1cc2[nH]nnc2cc1F ZINC001240730335 981786983 /nfs/dbraw/zinc/78/69/83/981786983.db2.gz IXRXZBMWVPWUIA-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001595628988 981794165 /nfs/dbraw/zinc/79/41/65/981794165.db2.gz UCLQEBFVOXRBAL-KOLCDFICSA-N 0 1 247.285 2.361 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1Cc2cccnc2C1 ZINC001595630083 981813806 /nfs/dbraw/zinc/81/38/06/981813806.db2.gz VDWGZCBRHKYDLD-LBPRGKRZSA-N 0 1 234.299 2.041 20 0 BEADMN C[C@@H](CC(=O)OCc1nnc[nH]1)CC(C)(C)C ZINC001350036792 981852216 /nfs/dbraw/zinc/85/22/16/981852216.db2.gz GQTYPUZTPHVFBO-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN CCCCC(N)=[NH+]OCc1occc1C(=O)[O-] ZINC001595634857 981894716 /nfs/dbraw/zinc/89/47/16/981894716.db2.gz XYIDVBPQRUQGFU-UHFFFAOYSA-N 0 1 240.259 2.166 20 0 BEADMN Cc1cc(-c2cccc3nc[nH]c32)n(C)n1 ZINC001240858013 981895450 /nfs/dbraw/zinc/89/54/50/981895450.db2.gz QVSUWKUUQSHPLG-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001594804368 981901932 /nfs/dbraw/zinc/90/19/32/981901932.db2.gz CZDLBUKBJXFTCT-UHFFFAOYSA-N 0 1 242.344 2.462 20 0 BEADMN CC[C@H](C)COC(=O)N1CCN(CC)C[C@H]1C ZINC001194800278 981904903 /nfs/dbraw/zinc/90/49/03/981904903.db2.gz HKLQUFHXURAPNK-NWDGAFQWSA-N 0 1 242.363 2.195 20 0 BEADMN COC(C)(C)CNc1ccc2c(n1)CCC2 ZINC000159263441 981913833 /nfs/dbraw/zinc/91/38/33/981913833.db2.gz PIPZREVOIZHCBH-UHFFFAOYSA-N 0 1 220.316 2.407 20 0 BEADMN c1cnc2c(c1)cccc2-c1ncnc2c1CNC2 ZINC001240891045 981941415 /nfs/dbraw/zinc/94/14/15/981941415.db2.gz ACPGUPMETVVFLK-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN c1cnc2c(c1)cccc2-c1ncc2c(n1)CNC2 ZINC001240892015 981942727 /nfs/dbraw/zinc/94/27/27/981942727.db2.gz NJBGIHVNPQCBRL-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1nnc[n-]1 ZINC001350378499 981953001 /nfs/dbraw/zinc/95/30/01/981953001.db2.gz XLCBAZWZDRRKFY-GFCCVEGCSA-N 0 1 222.336 2.205 20 0 BEADMN CC(C)C[C@@]1(C)CCC[N@H+]1Cc1nnc[n-]1 ZINC001350378499 981953014 /nfs/dbraw/zinc/95/30/14/981953014.db2.gz XLCBAZWZDRRKFY-GFCCVEGCSA-N 0 1 222.336 2.205 20 0 BEADMN CC(Cl)=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001350579899 982005447 /nfs/dbraw/zinc/00/54/47/982005447.db2.gz SOQWNWWNCBNDMH-XQRVVYSFSA-N 0 1 228.683 2.009 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)cc1N ZINC001240958925 982029470 /nfs/dbraw/zinc/02/94/70/982029470.db2.gz KRYUKZDKDJZMFO-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC001586882310 982032389 /nfs/dbraw/zinc/03/23/89/982032389.db2.gz QJJHCYHDZRGHGR-KHQFGBGNSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@@H](C)OC(=O)N1CCN(C(C)(C)C)CC1 ZINC001195104266 982045120 /nfs/dbraw/zinc/04/51/20/982045120.db2.gz JXYCCOVZSYOGCV-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN Oc1ccccc1-c1ncc2c(n1)CCC2 ZINC001241003037 982087703 /nfs/dbraw/zinc/08/77/03/982087703.db2.gz FTIOHUZVMYCLJO-UHFFFAOYSA-N 0 1 212.252 2.338 20 0 BEADMN Cc1cnc(-c2ccccc2O)nc1C ZINC001241008474 982097001 /nfs/dbraw/zinc/09/70/01/982097001.db2.gz HKIOVWYTGDPKTP-UHFFFAOYSA-N 0 1 200.241 2.466 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001594874360 982202073 /nfs/dbraw/zinc/20/20/73/982202073.db2.gz CBELPVRWKNZGTR-CMPLNLGQSA-N 0 1 236.315 2.013 20 0 BEADMN Oc1cc(F)c(-c2nccn3ccnc23)c(F)c1 ZINC001241122989 982252396 /nfs/dbraw/zinc/25/23/96/982252396.db2.gz QEBHSHPCHJQQRS-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CCCCCC[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001595709308 982292597 /nfs/dbraw/zinc/29/25/97/982292597.db2.gz ZEFJBNATPDDZRV-GFCCVEGCSA-N 0 1 245.363 2.377 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccn1C1CC1)C1CC1 ZINC001588597071 982338211 /nfs/dbraw/zinc/33/82/11/982338211.db2.gz OAAQRZLJMRJBGC-JTQLQIEISA-N 0 1 248.326 2.261 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ccc(C)o2)C1 ZINC001203302213 982346179 /nfs/dbraw/zinc/34/61/79/982346179.db2.gz WUWGWQMTYQIFBA-JTQLQIEISA-N 0 1 209.289 2.055 20 0 BEADMN CCO[C@H](CSc1nnc(C)[nH]1)C1CC1 ZINC001351650848 982347544 /nfs/dbraw/zinc/34/75/44/982347544.db2.gz LAPMAUKNBKUOMW-SECBINFHSA-N 0 1 227.333 2.020 20 0 BEADMN CCO[C@@H](CSc1nnc(C)[nH]1)C1CC1 ZINC001351650849 982349442 /nfs/dbraw/zinc/34/94/42/982349442.db2.gz LAPMAUKNBKUOMW-VIFPVBQESA-N 0 1 227.333 2.020 20 0 BEADMN Fc1cnccc1-c1cc2[nH]nnc2cc1F ZINC001241226514 982372515 /nfs/dbraw/zinc/37/25/15/982372515.db2.gz HUSMGNXESOIKFQ-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN CCOc1ccc(-c2cnc(CN)nc2)c(C)c1 ZINC001241272352 982405719 /nfs/dbraw/zinc/40/57/19/982405719.db2.gz PUISMSLAQIMZBL-UHFFFAOYSA-N 0 1 243.310 2.309 20 0 BEADMN CC(C)(CF)NCc1ccc(O)c(F)c1 ZINC001352015780 982439943 /nfs/dbraw/zinc/43/99/43/982439943.db2.gz JPIBMTFXMZJDLD-UHFFFAOYSA-N 0 1 215.243 2.369 20 0 BEADMN CN1CC=C(c2nccc(NCC3CC3)n2)CC1 ZINC001241307336 982444796 /nfs/dbraw/zinc/44/47/96/982444796.db2.gz DWNWZAYQWNDPQQ-UHFFFAOYSA-N 0 1 244.342 2.017 20 0 BEADMN CN1CC=C(c2cc(C(F)(F)F)cnn2)CC1 ZINC001241309671 982450615 /nfs/dbraw/zinc/45/06/15/982450615.db2.gz WVRGBEXUTWUERS-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CN1CC=C(c2ncccc2OC(F)F)CC1 ZINC001241309698 982450999 /nfs/dbraw/zinc/45/09/99/982450999.db2.gz XIWYBIDMDPJDHQ-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@H](C)c1cnc(C)s1 ZINC001352078048 982455962 /nfs/dbraw/zinc/45/59/62/982455962.db2.gz KBSMARGCYFZHIH-HTQZYQBOSA-N 0 1 242.344 2.054 20 0 BEADMN CN1CC=C(c2cc(C(C)(C)C)ncn2)CC1 ZINC001241312499 982455967 /nfs/dbraw/zinc/45/59/67/982455967.db2.gz CIAUFOMREWWLGX-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CC(C)COc1nccnc1C1=CCN(C)CC1 ZINC001241317675 982473523 /nfs/dbraw/zinc/47/35/23/982473523.db2.gz QUQUEEUXLGYCBJ-UHFFFAOYSA-N 0 1 247.342 2.230 20 0 BEADMN COc1cc2[nH]cnc2cc1C1=CC[N@@H+](C)CC1 ZINC001241321994 982482006 /nfs/dbraw/zinc/48/20/06/982482006.db2.gz FXTMOVACEUJHOT-UHFFFAOYSA-N 0 1 243.310 2.290 20 0 BEADMN COc1ncc(C)cc1-c1nccc(N)c1C ZINC001241362217 982518532 /nfs/dbraw/zinc/51/85/32/982518532.db2.gz MDXXAMGBZYRDMO-UHFFFAOYSA-N 0 1 229.283 2.351 20 0 BEADMN CCn1cc(CN[C@@H](C)c2ccc[nH]2)c(C)n1 ZINC001352750730 982566558 /nfs/dbraw/zinc/56/65/58/982566558.db2.gz PVHMBBQIBJYAKC-NSHDSACASA-N 0 1 232.331 2.390 20 0 BEADMN Cc1cccc(CN2C[C@H](F)C[C@H](CO)C2)c1 ZINC001203888727 982637818 /nfs/dbraw/zinc/63/78/18/982637818.db2.gz YUGDZZDQHOYMMC-UONOGXRCSA-N 0 1 237.318 2.147 20 0 BEADMN Nc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001241539571 982713598 /nfs/dbraw/zinc/71/35/98/982713598.db2.gz FKOYEWXACBSHBI-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])n1C ZINC001594961102 982714181 /nfs/dbraw/zinc/71/41/81/982714181.db2.gz UQGCFKAVOOJNTH-JTQLQIEISA-N 0 1 238.331 2.201 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1ncccc1F ZINC001241540469 982720416 /nfs/dbraw/zinc/72/04/16/982720416.db2.gz ASPOGYWBKXSMSU-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@H]1CCc2c(C(=O)N[C@@H]3CC34CCC4)[nH]nc21 ZINC001198464840 982729283 /nfs/dbraw/zinc/72/92/83/982729283.db2.gz WEOXFNYVZSQWGB-WCBMZHEXSA-N 0 1 245.326 2.132 20 0 BEADMN CC[C@H](CC(=O)NCc1cc(N)ccn1)C(C)C ZINC001353163192 982736501 /nfs/dbraw/zinc/73/65/01/982736501.db2.gz TUJMAKGHMHMOFC-LLVKDONJSA-N 0 1 249.358 2.352 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001589441686 982787848 /nfs/dbraw/zinc/78/78/48/982787848.db2.gz UWKJGVCICXDDHI-CYBMUJFWSA-N 0 1 246.310 2.463 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC001589444833 982798092 /nfs/dbraw/zinc/79/80/92/982798092.db2.gz GIWFJZHQROXBAN-BWZBUEFSSA-N 0 1 239.237 2.122 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC=C(c2ccccn2)C1 ZINC001589444755 982800064 /nfs/dbraw/zinc/80/00/64/982800064.db2.gz DSRDTXGDJUUOBY-CYBMUJFWSA-N 0 1 246.310 2.034 20 0 BEADMN CN1CCC=C(c2nccc(-c3ccco3)n2)C1 ZINC001241565557 982804655 /nfs/dbraw/zinc/80/46/55/982804655.db2.gz MKNNMNMIMOQXOG-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CN1CCC=C(c2cc(OC(F)F)ccn2)C1 ZINC001241565634 982805903 /nfs/dbraw/zinc/80/59/03/982805903.db2.gz NDIFYCPEIXJRKN-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CN1CCC=C(c2nccc3scnc32)C1 ZINC001241565525 982807027 /nfs/dbraw/zinc/80/70/27/982807027.db2.gz LWZVVAHFOXNOCB-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CN1CCC=C(c2ccnc(C(C)(C)C)n2)C1 ZINC001241566094 982808591 /nfs/dbraw/zinc/80/85/91/982808591.db2.gz UWTCEYFGQIWTIH-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CN1CCC=C(c2ccc(C3CCC3)nn2)C1 ZINC001241567053 982811537 /nfs/dbraw/zinc/81/15/37/982811537.db2.gz IFXUMVDPZXVERM-UHFFFAOYSA-N 0 1 229.327 2.463 20 0 BEADMN CN1CCC=C(c2ncc3cc(F)ccc3n2)C1 ZINC001241567009 982813343 /nfs/dbraw/zinc/81/33/43/982813343.db2.gz GGMUYKLTKJUXIL-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN1CCC=C(c2ccc(C(C)(C)C)nn2)C1 ZINC001241568477 982813370 /nfs/dbraw/zinc/81/33/70/982813370.db2.gz SSIHZSBETORUHR-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN COC(=O)c1cc(C2=CCCN(C)C2)ccc1F ZINC001241568883 982815116 /nfs/dbraw/zinc/81/51/16/982815116.db2.gz LLEYKKBGPQDXCJ-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CN1CCC=C(c2cc(-c3ccco3)ncn2)C1 ZINC001241568942 982816303 /nfs/dbraw/zinc/81/63/03/982816303.db2.gz YWVPOUSIVPTRAX-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN COc1ncc(C2=CCCN(C)C2)cc1C ZINC001241569422 982816821 /nfs/dbraw/zinc/81/68/21/982816821.db2.gz YPPJIDXFWQDRNY-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN COc1cnc(C2=CCCN(C)C2)cc1C ZINC001241568801 982817406 /nfs/dbraw/zinc/81/74/06/982817406.db2.gz KBHDEAGJOXPBNG-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN COc1ncc2cc[nH]c2c1C1=CCCN(C)C1 ZINC001241571098 982822401 /nfs/dbraw/zinc/82/24/01/982822401.db2.gz RSSUIKIHCJEYRD-UHFFFAOYSA-N 0 1 243.310 2.290 20 0 BEADMN CN1CCC=C(c2ccc(N)cc2F)C1 ZINC001241570536 982822813 /nfs/dbraw/zinc/82/28/13/982822813.db2.gz JTWOMQYQZBZVBR-UHFFFAOYSA-N 0 1 206.264 2.127 20 0 BEADMN CN(CCCC(C)(F)F)Cc1ccn(C)n1 ZINC001198624161 982824772 /nfs/dbraw/zinc/82/47/72/982824772.db2.gz WCNUZMRCIKNTTE-UHFFFAOYSA-N 0 1 231.290 2.287 20 0 BEADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)[O-] ZINC001589585498 982841174 /nfs/dbraw/zinc/84/11/74/982841174.db2.gz KKHOVHRJVQVJJQ-NSHDSACASA-N 0 1 237.299 2.163 20 0 BEADMN COc1nccc(-c2ccc3c(c2)n[nH]c3C)n1 ZINC001241636261 982873927 /nfs/dbraw/zinc/87/39/27/982873927.db2.gz CJGUJLHSGMNFIF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(-c2ccc3c(c2)n[nH]c3C)ncn1 ZINC001241637142 982875826 /nfs/dbraw/zinc/87/58/26/982875826.db2.gz LUPAQFRGJJVERI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(-c2ccc3n[nH]c(C)c3c2)nc1 ZINC001241665779 982905159 /nfs/dbraw/zinc/90/51/59/982905159.db2.gz MEMBJVBWCRUDRI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncncc1-c1ccc2n[nH]c(C)c2c1 ZINC001241669298 982910631 /nfs/dbraw/zinc/91/06/31/982910631.db2.gz NXEXSHATGSUIBF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1nccnc1-c1ccc2[nH]cnc2c1 ZINC001241679941 982930697 /nfs/dbraw/zinc/93/06/97/982930697.db2.gz CZTCXKGWQXUPOH-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CN(C)c1nccc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685956 982932378 /nfs/dbraw/zinc/93/23/78/982932378.db2.gz USKRAJGBCADPDA-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Nc1cccc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685739 982934545 /nfs/dbraw/zinc/93/45/45/982934545.db2.gz PMNJRUFHCCNRHH-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COc1cncnc1-c1ccc2[nH]cnc2c1 ZINC001241685040 982935783 /nfs/dbraw/zinc/93/57/83/982935783.db2.gz AFMDDBBAXQFDMK-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN c1nc2cc(-c3ncc4c(n3)COC4)ccc2[nH]1 ZINC001241691036 982947098 /nfs/dbraw/zinc/94/70/98/982947098.db2.gz HQASWIPIWKSLMJ-UHFFFAOYSA-N 0 1 238.250 2.050 20 0 BEADMN O=C1NCc2cccc(-c3ccc4nc[nH]c4c3)c21 ZINC001241691273 982948227 /nfs/dbraw/zinc/94/82/27/982948227.db2.gz KKPXCLVDNDOOCN-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN c1nc2cc(-c3ccc4nc[nH]c4c3)ccn2n1 ZINC001241697134 982952078 /nfs/dbraw/zinc/95/20/78/982952078.db2.gz SCHUCZRZBKMVAZ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc2cccc(-c3ccc4nc[nH]c4c3)n2n1 ZINC001241696406 982953818 /nfs/dbraw/zinc/95/38/18/982953818.db2.gz FWNZJOQZDULWKN-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Fc1nc2nc[nH]c2c(C2=CCCCC2)n1 ZINC001241713845 982970175 /nfs/dbraw/zinc/97/01/75/982970175.db2.gz RXXGPDMOBJFCOV-UHFFFAOYSA-N 0 1 218.235 2.401 20 0 BEADMN C[C@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C1CC1 ZINC001353698787 982970738 /nfs/dbraw/zinc/97/07/38/982970738.db2.gz CRIXTUFXQPKITQ-IUCAKERBSA-N 0 1 247.342 2.063 20 0 BEADMN O=C(C1=CC=CC1)N1CCC(c2cnc[nH]2)CC1 ZINC001199693844 982994876 /nfs/dbraw/zinc/99/48/76/982994876.db2.gz SSETYYBGDKBKTH-UHFFFAOYSA-N 0 1 243.310 2.002 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@@H](C(C)=O)C2)[nH]1 ZINC001203246316 983011084 /nfs/dbraw/zinc/01/10/84/983011084.db2.gz FJMIJHXUVQJXDL-GFCCVEGCSA-N 0 1 249.358 2.082 20 0 BEADMN CC(=O)Oc1ccc(CN2CC(C)(C)C2)cc1 ZINC001203945240 983054967 /nfs/dbraw/zinc/05/49/67/983054967.db2.gz AJGVFWAWUQNOET-UHFFFAOYSA-N 0 1 233.311 2.454 20 0 BEADMN COc1cc(C)[nH+]cc1-c1cncc(C(=O)[O-])c1 ZINC001241801980 983057613 /nfs/dbraw/zinc/05/76/13/983057613.db2.gz FLSBGGVEGMBXNJ-UHFFFAOYSA-N 0 1 244.250 2.159 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1C ZINC000716922232 983085821 /nfs/dbraw/zinc/08/58/21/983085821.db2.gz LWGNIYWRQVNXAS-WOPDTQHZSA-N 0 1 247.342 2.079 20 0 BEADMN NCc1ncc(-c2ccc3scnc3c2)cn1 ZINC001241868435 983089849 /nfs/dbraw/zinc/08/98/49/983089849.db2.gz OPIHMDRVIJDKPC-UHFFFAOYSA-N 0 1 242.307 2.212 20 0 BEADMN c1nc(-c2cnccc2N2CCOCC2)cs1 ZINC001241890140 983106146 /nfs/dbraw/zinc/10/61/46/983106146.db2.gz HGRTVGXBNPGWJF-UHFFFAOYSA-N 0 1 247.323 2.042 20 0 BEADMN CC(C)(C)[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001353979504 983106897 /nfs/dbraw/zinc/10/68/97/983106897.db2.gz UNJIDYCCJAYIIT-FOGDFJRCSA-N 0 1 247.342 2.160 20 0 BEADMN Cc1nc2cncc(-c3cscn3)c2[nH]1 ZINC001241892223 983110307 /nfs/dbraw/zinc/11/03/07/983110307.db2.gz AQSPWYDAIABSDY-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN c1nc2cc(-c3cnn(C4CC4)c3)ncc2[nH]1 ZINC001241904212 983113764 /nfs/dbraw/zinc/11/37/64/983113764.db2.gz HZKISNVJXIWOLH-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN C[C@H](C1CC1)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592181069 983116705 /nfs/dbraw/zinc/11/67/05/983116705.db2.gz OYJPJEXLSRLMHH-SECBINFHSA-N 0 1 231.295 2.499 20 0 BEADMN Fc1ccc(-c2ccc3nn[nH]c3c2)c(F)n1 ZINC001241940656 983146788 /nfs/dbraw/zinc/14/67/88/983146788.db2.gz MKRINPDIILCQFB-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Fc1ccc(-c2ccc3[nH]nnc3c2)c(F)n1 ZINC001241940656 983146804 /nfs/dbraw/zinc/14/68/04/983146804.db2.gz MKRINPDIILCQFB-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Cc1c(F)ccnc1-c1ccc2[nH]nnc2c1 ZINC001241938891 983148875 /nfs/dbraw/zinc/14/88/75/983148875.db2.gz WEOZRKXGRFIARG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c(F)ccnc1-c1ccc2nn[nH]c2c1 ZINC001241938891 983148889 /nfs/dbraw/zinc/14/88/89/983148889.db2.gz WEOZRKXGRFIARG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc(C)c(-c2ccc3nn[nH]c3c2)n1 ZINC001241938511 983151077 /nfs/dbraw/zinc/15/10/77/983151077.db2.gz ODKNVEBNUNDTPD-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241939074 983152632 /nfs/dbraw/zinc/15/26/32/983152632.db2.gz ZLSGVRFSYBCRPM-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241939074 983152641 /nfs/dbraw/zinc/15/26/41/983152641.db2.gz ZLSGVRFSYBCRPM-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCc1cc(-c2ccc3nn[nH]c3c2)nc(C)n1 ZINC001241940510 983153811 /nfs/dbraw/zinc/15/38/11/983153811.db2.gz LZCBAKUFPJMJCC-UHFFFAOYSA-N 0 1 239.282 2.286 20 0 BEADMN c1cn2c(cccc2-c2ccc3[nH]nnc3c2)n1 ZINC001241940651 983154180 /nfs/dbraw/zinc/15/41/80/983154180.db2.gz MHFNZUPRNDAIIQ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCCc1ccc(-c2ccc3nn[nH]c3c2)nn1 ZINC001241940044 983154424 /nfs/dbraw/zinc/15/44/24/983154424.db2.gz WXKXWBOGFTXBHP-UHFFFAOYSA-N 0 1 239.282 2.367 20 0 BEADMN Cc1cc(F)ncc1-c1ccc2[nH]nnc2c1 ZINC001241941032 983155962 /nfs/dbraw/zinc/15/59/62/983155962.db2.gz BDLONAQXBPNDAS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)ncc1-c1ccc2nn[nH]c2c1 ZINC001241941032 983155968 /nfs/dbraw/zinc/15/59/68/983155968.db2.gz BDLONAQXBPNDAS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cnc(C)c(-c2ccc3[nH]nnc3c2)c1 ZINC001241940997 983156122 /nfs/dbraw/zinc/15/61/22/983156122.db2.gz FNZGYOBHURCJBI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(C)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241940997 983156128 /nfs/dbraw/zinc/15/61/28/983156128.db2.gz FNZGYOBHURCJBI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1cc(-c2ccc3[nH]nnc3c2)cnc1F ZINC001241942098 983159768 /nfs/dbraw/zinc/15/97/68/983159768.db2.gz OCMCSAZIBJWCFD-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Fc1cc(-c2ccc3nn[nH]c3c2)cnc1F ZINC001241942098 983159772 /nfs/dbraw/zinc/15/97/72/983159772.db2.gz OCMCSAZIBJWCFD-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN COc1nc(C)ccc1-c1ccc2[nH]nnc2c1 ZINC001241941799 983160122 /nfs/dbraw/zinc/16/01/22/983160122.db2.gz NALWLOJODMGWKT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nc(C)ccc1-c1ccc2nn[nH]c2c1 ZINC001241941799 983160128 /nfs/dbraw/zinc/16/01/28/983160128.db2.gz NALWLOJODMGWKT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2ccc3[nH]nnc3c2)cc1C ZINC001241942060 983160239 /nfs/dbraw/zinc/16/02/39/983160239.db2.gz NKGMYUMPSINEIE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2ccc3nn[nH]c3c2)cc1C ZINC001241942060 983160242 /nfs/dbraw/zinc/16/02/42/983160242.db2.gz NKGMYUMPSINEIE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@@H]1CCC[C@@H](Nc2nccnc2CN)C1 ZINC001354120222 983162113 /nfs/dbraw/zinc/16/21/13/983162113.db2.gz PQZGTXWIJDYYQU-GHMZBOCLSA-N 0 1 234.347 2.316 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)cnc1C ZINC001241942791 983163486 /nfs/dbraw/zinc/16/34/86/983163486.db2.gz WNRAYITZWVPWOG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)cnc1C ZINC001241942791 983163493 /nfs/dbraw/zinc/16/34/93/983163493.db2.gz WNRAYITZWVPWOG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)c1ncccc1-c1ccc2[nH]nnc2c1 ZINC001241942862 983164871 /nfs/dbraw/zinc/16/48/71/983164871.db2.gz PXFLXPWJESIGCQ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1ncccc1-c1ccc2nn[nH]c2c1 ZINC001241942862 983164874 /nfs/dbraw/zinc/16/48/74/983164874.db2.gz PXFLXPWJESIGCQ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN NCc1nccnc1N1CCCC12CCCCC2 ZINC001354142474 983173520 /nfs/dbraw/zinc/17/35/20/983173520.db2.gz ZIQZMKNORCWXBQ-UHFFFAOYSA-N 0 1 246.358 2.238 20 0 BEADMN OCc1cc(NC2=CCSCC2)ccn1 ZINC001201333001 983189700 /nfs/dbraw/zinc/18/97/00/983189700.db2.gz HUAXBELEZSGCCB-UHFFFAOYSA-N 0 1 222.313 2.007 20 0 BEADMN CCOC(=O)[C@]12C[C@H]1CC[N@H+]2C[C@H]1CC=CCC1 ZINC001201408970 983199767 /nfs/dbraw/zinc/19/97/67/983199767.db2.gz NIHVSRNAOIQILZ-GUTXKFCHSA-N 0 1 249.354 2.370 20 0 BEADMN CC(C)(C)CN1CCC(=O)[C@H](F)CC1 ZINC001201433424 983223737 /nfs/dbraw/zinc/22/37/37/983223737.db2.gz YYNVMEDYAGMPFC-SECBINFHSA-N 0 1 201.285 2.036 20 0 BEADMN Cc1noc(N[C@@H]2c3ccccc3OC[C@H]2F)n1 ZINC001354267048 983238960 /nfs/dbraw/zinc/23/89/60/983238960.db2.gz FCAJPCLILIRWHD-MWLCHTKSSA-N 0 1 249.245 2.262 20 0 BEADMN CC(C)CN1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001201469520 983241078 /nfs/dbraw/zinc/24/10/78/983241078.db2.gz WZKQPUWQVIYYMA-CQSZACIVSA-N 0 1 244.338 2.155 20 0 BEADMN Cc1nc(-c2ccnnc2)cc2[nH]ccc21 ZINC001242046117 983253302 /nfs/dbraw/zinc/25/33/02/983253302.db2.gz NJLFEUGWVTZBAU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCO[C@H](CO)C1 ZINC001201485468 983255303 /nfs/dbraw/zinc/25/53/03/983255303.db2.gz HLOGIBSDXATCPU-KBPBESRZSA-N 0 1 241.375 2.062 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCO[C@@H](CO)C1 ZINC001201485471 983255543 /nfs/dbraw/zinc/25/55/43/983255543.db2.gz HLOGIBSDXATCPU-ZIAGYGMSSA-N 0 1 241.375 2.062 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCn2nncc2C1 ZINC001201495686 983261208 /nfs/dbraw/zinc/26/12/08/983261208.db2.gz FDUHDVNHEDNUBF-CYBMUJFWSA-N 0 1 248.374 2.476 20 0 BEADMN CCCC[C@@H](COC)NCc1nn(C)cc1C ZINC001200630277 983278136 /nfs/dbraw/zinc/27/81/36/983278136.db2.gz GXEUZMGSMREWKS-LBPRGKRZSA-N 0 1 239.363 2.023 20 0 BEADMN O=c1ccc(-c2ccc3cncn3c2)c[nH]1 ZINC001242063398 983282206 /nfs/dbraw/zinc/28/22/06/983282206.db2.gz NFAGZNQFUQYLJI-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN CCC(CC)C[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001201534464 983289533 /nfs/dbraw/zinc/28/95/33/983289533.db2.gz JBMWZNRXLSHOTD-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CN(C)Cc1cccc(-c2ccnnc2)c1F ZINC001242068859 983299056 /nfs/dbraw/zinc/29/90/56/983299056.db2.gz XRHGUVOTSCELEE-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN c1cc2c(ccnc2C2=CCOCC2)[nH]1 ZINC001242072671 983310557 /nfs/dbraw/zinc/31/05/57/983310557.db2.gz MWFMLYQKEZRFNZ-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN c1cn(-c2ccnc(C3=CCOCC3)c2)cn1 ZINC001242074470 983314964 /nfs/dbraw/zinc/31/49/64/983314964.db2.gz AXHOKGDYYOCPDP-UHFFFAOYSA-N 0 1 227.267 2.071 20 0 BEADMN C[C@@H]1C[C@@H]1CNC(=O)c1cc(F)cc(F)c1O ZINC001354497200 983315285 /nfs/dbraw/zinc/31/52/85/983315285.db2.gz ZQUBQEHGZMNXRU-RNFRBKRXSA-N 0 1 241.237 2.056 20 0 BEADMN CCN1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001201573176 983335939 /nfs/dbraw/zinc/33/59/39/983335939.db2.gz LMJBUPJKFVQWPA-WDEREUQCSA-N 0 1 240.347 2.090 20 0 BEADMN Cc1cc(-c2c[nH+]c(N)cc2C)cnc1C(=O)[O-] ZINC001242095383 983338420 /nfs/dbraw/zinc/33/84/20/983338420.db2.gz GJPMWILJVSQBEM-UHFFFAOYSA-N 0 1 243.266 2.041 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001593747821 983355460 /nfs/dbraw/zinc/35/54/60/983355460.db2.gz RHJVCEVAJUEHBA-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN C(=C/c1ncc2c(n1)CNC2)\Cc1ccccc1 ZINC001242139522 983369001 /nfs/dbraw/zinc/36/90/01/983369001.db2.gz XPFNHAGZPXKQKA-XBXARRHUSA-N 0 1 237.306 2.336 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001593803648 983369820 /nfs/dbraw/zinc/36/98/20/983369820.db2.gz OCDLXDAEQIZEDA-CQSZACIVSA-N 0 1 248.326 2.025 20 0 BEADMN CC(C)CCN1CCC(=O)[C@H](F)CC1 ZINC001201613470 983374311 /nfs/dbraw/zinc/37/43/11/983374311.db2.gz IWKBVBZPGPBYOB-SNVBAGLBSA-N 0 1 201.285 2.036 20 0 BEADMN Nc1ccc(-c2ccc(F)cc2O)nc1 ZINC001242215620 983408176 /nfs/dbraw/zinc/40/81/76/983408176.db2.gz BVMHDHZGCGXDBF-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN CN(C)c1cnc(-c2ccc(F)cc2O)cn1 ZINC001242216669 983411760 /nfs/dbraw/zinc/41/17/60/983411760.db2.gz WUTLUKPHAJQWSG-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Cn1cnc2c1ccnc2-c1ccc(F)cc1O ZINC001242215830 983412047 /nfs/dbraw/zinc/41/20/47/983412047.db2.gz INNIMNJXCHMLRP-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN COC(=O)c1cccnc1-c1ccc(F)cc1O ZINC001242216089 983412616 /nfs/dbraw/zinc/41/26/16/983412616.db2.gz LNEBFPNJJWGISA-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN COCc1nccnc1-c1ccc(F)cc1O ZINC001242215657 983413168 /nfs/dbraw/zinc/41/31/68/983413168.db2.gz DCWHTITWOWIDRB-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Oc1cc(F)ccc1-c1ccc2c(n1)NCCO2 ZINC001242218846 983417529 /nfs/dbraw/zinc/41/75/29/983417529.db2.gz BSNQUKUVRRYPCQ-UHFFFAOYSA-N 0 1 246.241 2.398 20 0 BEADMN Cc1ncn(-c2ccc(C3CC3)nc2)c1N ZINC001201708281 983419514 /nfs/dbraw/zinc/41/95/14/983419514.db2.gz NLMFBZVZBUOOIH-UHFFFAOYSA-N 0 1 214.272 2.035 20 0 BEADMN NCc1ncc(C2=CCC(F)(F)CC2)cn1 ZINC001242234095 983435788 /nfs/dbraw/zinc/43/57/88/983435788.db2.gz KWFPHKBUNAUHFR-UHFFFAOYSA-N 0 1 225.242 2.138 20 0 BEADMN CCCCCCN1C[C@@H](OC)[C@@H](F)C1 ZINC001201743669 983450002 /nfs/dbraw/zinc/45/00/02/983450002.db2.gz XWDPTHQYYMKKMQ-WDEREUQCSA-N 0 1 203.301 2.235 20 0 BEADMN c1cc2cc(-c3ncc4c(n3)CNC4)ccc2cn1 ZINC001242244676 983459285 /nfs/dbraw/zinc/45/92/85/983459285.db2.gz LYJZNLUTUGTFFC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCC[C@H](O)CN1CCC[C@@H]1c1ncccn1 ZINC001252100012 983573439 /nfs/dbraw/zinc/57/34/39/983573439.db2.gz PRYPZZFUWOOEGU-QWHCGFSZSA-N 0 1 249.358 2.165 20 0 BEADMN CCCC[C@@H](O)CN1CCC[C@H]1c1ncccn1 ZINC001252100011 983575001 /nfs/dbraw/zinc/57/50/01/983575001.db2.gz PRYPZZFUWOOEGU-OLZOCXBDSA-N 0 1 249.358 2.165 20 0 BEADMN OCc1ccc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001242339939 983587128 /nfs/dbraw/zinc/58/71/28/983587128.db2.gz ISCGRFJPCBGPHV-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001242339939 983587144 /nfs/dbraw/zinc/58/71/44/983587144.db2.gz ISCGRFJPCBGPHV-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC1=C(C)C[C@](C)(C(=O)OCc2nnc[nH]2)CC1 ZINC001356203544 983589771 /nfs/dbraw/zinc/58/97/71/983589771.db2.gz OHLVUVAXZXNMCG-CYBMUJFWSA-N 0 1 249.314 2.375 20 0 BEADMN Cc1cncc(-c2cccc(F)c2O)n1 ZINC001242348136 983608622 /nfs/dbraw/zinc/60/86/22/983608622.db2.gz MTAKAFMUUYYCSG-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN FC(F)(F)CCN1CC[C@H]2CCCO[C@@H]2C1 ZINC001202306830 983615697 /nfs/dbraw/zinc/61/56/97/983615697.db2.gz CXAXLVZEJUFYBU-NXEZZACHSA-N 0 1 237.265 2.440 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@@]1(C)O ZINC001202308261 983620412 /nfs/dbraw/zinc/62/04/12/983620412.db2.gz YGDFMFWYPWXGKL-RKDXNWHRSA-N 0 1 225.254 2.032 20 0 BEADMN Nc1cc[nH+]cc1-c1cccc(F)c1[O-] ZINC001242351654 983624767 /nfs/dbraw/zinc/62/47/67/983624767.db2.gz NBSWFQJZPAVMHE-UHFFFAOYSA-N 0 1 204.204 2.006 20 0 BEADMN COC[C@H]1CCN1CCCC(F)(F)F ZINC001202444042 983661366 /nfs/dbraw/zinc/66/13/66/983661366.db2.gz CILDGUGCVSRIIF-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN CC(=O)c1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001242400175 983681564 /nfs/dbraw/zinc/68/15/64/983681564.db2.gz AFMZPARAGNZGKN-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC(=O)c1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001242400175 983681569 /nfs/dbraw/zinc/68/15/69/983681569.db2.gz AFMZPARAGNZGKN-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC(C)(C)NC(=O)Nc1ncc(Cl)cc1O ZINC001202473491 983699152 /nfs/dbraw/zinc/69/91/52/983699152.db2.gz XCKIVKCELLMHGS-UHFFFAOYSA-N 0 1 243.694 2.361 20 0 BEADMN Cc1ncc(-c2cc3[nH]nnc3cc2F)cc1N ZINC001242410678 983716519 /nfs/dbraw/zinc/71/65/19/983716519.db2.gz JCCFWZZMBFYRHF-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnc(C)c(N)c3)c-2n1 ZINC001242413201 983722585 /nfs/dbraw/zinc/72/25/85/983722585.db2.gz QSANZCVWLGRGGS-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1nc2c(cncc2-c2cnc(C)c(N)c2)[nH]1 ZINC001242413201 983722591 /nfs/dbraw/zinc/72/25/91/983722591.db2.gz QSANZCVWLGRGGS-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN CC(C)n1cc(-c2cc3nc[nH]c3cn2)cn1 ZINC001242434486 983733941 /nfs/dbraw/zinc/73/39/41/983733941.db2.gz LDXMPIOJUYRARF-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC(C)[C@H](C)ON=C(N)CN1CCCC[C@H]1C ZINC000853666293 983768259 /nfs/dbraw/zinc/76/82/59/983768259.db2.gz KPAVCVMRZKJCTI-NEPJUHHUSA-N 0 1 241.379 2.404 20 0 BEADMN Cc1nc2cc(-c3ccn(C)n3)ccc2[nH]1 ZINC001242458820 983772361 /nfs/dbraw/zinc/77/23/61/983772361.db2.gz FYCNGCCDIBFWJJ-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccnc(Cl)c1 ZINC000379835463 983800359 /nfs/dbraw/zinc/80/03/59/983800359.db2.gz ZQDWUBHIRPDSKF-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])n1C)C1CCC1 ZINC001596357617 983829274 /nfs/dbraw/zinc/82/92/74/983829274.db2.gz LIRAANRBIAKFNM-UHFFFAOYSA-N 0 1 236.315 2.098 20 0 BEADMN CC(C)n1nccc1-c1cc2[nH]cnc2cn1 ZINC001242555290 983875509 /nfs/dbraw/zinc/87/55/09/983875509.db2.gz PXXLWFHRDYKVGM-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC(C)n1nccc1-c1cccc2[nH]nnc21 ZINC001242557847 983880737 /nfs/dbraw/zinc/88/07/37/983880737.db2.gz WMXKXAMRLCPENA-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CCC[C@H](O)CN1CCC[C@@H]1c1nccs1 ZINC001252789572 983886465 /nfs/dbraw/zinc/88/64/65/983886465.db2.gz VLNQXEVDDRWTSU-WDEREUQCSA-N 0 1 240.372 2.441 20 0 BEADMN CC(C)n1cc(CN2CC[C@@]3(CCCO3)C2)cn1 ZINC001137073221 983905228 /nfs/dbraw/zinc/90/52/28/983905228.db2.gz VBWBCXZHXYTJDS-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)n1cc(CN2CCCC3(COC3)C2)cn1 ZINC001137074529 983910660 /nfs/dbraw/zinc/91/06/60/983910660.db2.gz OLQZRBCCAWRSNN-UHFFFAOYSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@]3(CCO3)C2)cn1 ZINC001137080366 983917257 /nfs/dbraw/zinc/91/72/57/983917257.db2.gz FIFRDYOJXPZIAY-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN Cc1ncn(C)c1NC[C@H](O)c1ccc(F)cc1 ZINC001252839098 983935208 /nfs/dbraw/zinc/93/52/08/983935208.db2.gz WEKOJWXTMMHAML-LBPRGKRZSA-N 0 1 249.289 2.013 20 0 BEADMN O=C(C[NH2+]C1CCCCC1)c1ccc([O-])cc1 ZINC000001742366 984000079 /nfs/dbraw/zinc/00/00/79/984000079.db2.gz HVBDBWAOCQTMRV-UHFFFAOYSA-N 0 1 233.311 2.497 20 0 BEADMN CCOc1cncc(-c2nccc3[nH]cnc32)c1 ZINC001242656146 984026139 /nfs/dbraw/zinc/02/61/39/984026139.db2.gz QYBUNWJFCNDYML-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN C[C@H](NC[C@@H]1CCC=CO1)c1cscn1 ZINC000379945701 984038786 /nfs/dbraw/zinc/03/87/86/984038786.db2.gz DDMOWIUSCYRIID-UWVGGRQHSA-N 0 1 224.329 2.486 20 0 BEADMN Cc1cnccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000717187066 984050494 /nfs/dbraw/zinc/05/04/94/984050494.db2.gz NUYCCCZIYKQNRH-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN CCCNC(=O)Nc1cnccc1N1CCCC1 ZINC001202584104 984090008 /nfs/dbraw/zinc/09/00/08/984090008.db2.gz LGKIGJSMABPMKQ-UHFFFAOYSA-N 0 1 248.330 2.213 20 0 BEADMN CCCNC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001202594854 984120254 /nfs/dbraw/zinc/12/02/54/984120254.db2.gz VYTHFJBGLOQCDB-UHFFFAOYSA-N 0 1 230.214 2.202 20 0 BEADMN COc1nc2ccccc2cc1CN(C)C ZINC001137201414 984135226 /nfs/dbraw/zinc/13/52/26/984135226.db2.gz UQGWHSHVYLXXMF-UHFFFAOYSA-N 0 1 216.284 2.305 20 0 BEADMN CCCn1nccc1-c1nccc2c1CCN2 ZINC001242842917 984191517 /nfs/dbraw/zinc/19/15/17/984191517.db2.gz KFRZXBLKNCAVCA-UHFFFAOYSA-N 0 1 228.299 2.323 20 0 BEADMN Nc1ccnc(-c2c[nH]c3ncccc23)c1 ZINC001242859196 984199996 /nfs/dbraw/zinc/19/99/96/984199996.db2.gz QSYQZBISFLMVSG-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CCCCC[C@@H](O)CNCc1ncc(C)s1 ZINC001253558446 984213405 /nfs/dbraw/zinc/21/34/05/984213405.db2.gz WOKDPGCHBHLPDK-LLVKDONJSA-N 0 1 242.388 2.482 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1nccs1 ZINC001242896787 984256432 /nfs/dbraw/zinc/25/64/32/984256432.db2.gz SRPKYSZWYJSHOO-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1c(F)nccc1Nc1ccncc1 ZINC001212837964 984270904 /nfs/dbraw/zinc/27/09/04/984270904.db2.gz IOGUSJSZJFDGRY-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001435092192 984278548 /nfs/dbraw/zinc/27/85/48/984278548.db2.gz QSKBMTJHXICSRW-KWQFWETISA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cnc(F)cc1Nc1ccncc1 ZINC001212845862 984279507 /nfs/dbraw/zinc/27/95/07/984279507.db2.gz OXQMUVIKJWIKPI-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1O ZINC001435092170 984279849 /nfs/dbraw/zinc/27/98/49/984279849.db2.gz QSKBMTJHXICSRW-GZMMTYOYSA-N 0 1 237.274 2.450 20 0 BEADMN S=c1nc2[nH]cnc(-c3ccncn3)c-2s1 ZINC001242915396 984281896 /nfs/dbraw/zinc/28/18/96/984281896.db2.gz FJZDVQDHEPTZLN-UHFFFAOYSA-N 0 1 247.308 2.157 20 0 BEADMN CN(Cc1ccc(-c2ccncn2)nc1)C1CC1 ZINC001242915983 984285162 /nfs/dbraw/zinc/28/51/62/984285162.db2.gz PBXIEPBLQYLDDK-UHFFFAOYSA-N 0 1 240.310 2.133 20 0 BEADMN c1cc2ncc(-c3cccn4cncc34)cn2n1 ZINC001240438649 984298141 /nfs/dbraw/zinc/29/81/41/984298141.db2.gz HSCRDWFRHFIKQW-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CSc1ccccc1-c1ncnc2c1CNC2 ZINC001242945840 984308936 /nfs/dbraw/zinc/30/89/36/984308936.db2.gz QJYXDPXVXQWSJU-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN OCc1cncc(-c2nccc3[nH]ccc32)c1 ZINC001242968918 984335153 /nfs/dbraw/zinc/33/51/53/984335153.db2.gz KBRDWMXJDOGBEX-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1cncc(-c2ccc3nc[nH]c3c2)c1 ZINC001242971241 984336576 /nfs/dbraw/zinc/33/65/76/984336576.db2.gz HQSIARLQQFEMPZ-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN COc1ccnc(-c2ccc(C)cc2O)n1 ZINC000717904675 984364523 /nfs/dbraw/zinc/36/45/23/984364523.db2.gz JLULPIVQNBCOMW-UHFFFAOYSA-N 0 1 216.240 2.166 20 0 BEADMN Cc1c(CO)cccc1-c1cc2[nH]cnc2cn1 ZINC001243014119 984370451 /nfs/dbraw/zinc/37/04/51/984370451.db2.gz LZHSNSIKNWPKJT-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CNc2cn(C)nc2C(C)C)n[nH]1 ZINC001321232690 984391382 /nfs/dbraw/zinc/39/13/82/984391382.db2.gz KKSDKJBAEFILRA-UHFFFAOYSA-N 0 1 233.319 2.187 20 0 BEADMN Cc1c[nH+]c(-c2ccc(F)c([O-])c2)cc1N ZINC001243049164 984397924 /nfs/dbraw/zinc/39/79/24/984397924.db2.gz QNSUELGBGXRGSY-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Cc1c(N)cc[nH+]c1-c1ccc(F)c([O-])c1 ZINC001243054789 984417280 /nfs/dbraw/zinc/41/72/80/984417280.db2.gz SSXSJZZULGDUKL-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Cc1cc(CCC(=O)NCC2CCCCC2)n[nH]1 ZINC001440715445 984432826 /nfs/dbraw/zinc/43/28/26/984432826.db2.gz WUPVKFOUKXDZRU-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN COc1cccc(-c2cncc3[nH]cnc32)n1 ZINC001243095180 984522075 /nfs/dbraw/zinc/52/20/75/984522075.db2.gz KQARDMPKMKTWHI-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cccc(-c2cncc3nc[nH]c32)n1 ZINC001243095180 984522089 /nfs/dbraw/zinc/52/20/89/984522089.db2.gz KQARDMPKMKTWHI-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1cc(CCC(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC001443588115 984532493 /nfs/dbraw/zinc/53/24/93/984532493.db2.gz RTSBINSCIOEVBU-RYUDHWBXSA-N 0 1 249.358 2.440 20 0 BEADMN Cc1nnc(CNc2ccc3c(n2)CCCC3)o1 ZINC000718899314 984558386 /nfs/dbraw/zinc/55/83/86/984558386.db2.gz PQQZKQVLIKPAME-UHFFFAOYSA-N 0 1 244.298 2.264 20 0 BEADMN OCc1cccc(-c2cccc3[nH]nnc32)c1F ZINC001243141507 984600245 /nfs/dbraw/zinc/60/02/45/984600245.db2.gz UUWSJJJYXQVGHA-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN COc1ccc(CO)cc1-c1nccc(N)c1C ZINC001243170751 984629063 /nfs/dbraw/zinc/62/90/63/984629063.db2.gz DCNONIMONFYXSF-UHFFFAOYSA-N 0 1 244.294 2.140 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C(C)C)C1CCC1 ZINC001588947484 984660215 /nfs/dbraw/zinc/66/02/15/984660215.db2.gz YHCQMBMZAWVYFS-JXMROGBWSA-N 0 1 211.305 2.280 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001588949852 984675980 /nfs/dbraw/zinc/67/59/80/984675980.db2.gz WCJNXKCCFHVYOG-PMDBQALLSA-N 0 1 223.316 2.139 20 0 BEADMN CN1CCC12CN(Cc1ccc(Cl)cc1)C2 ZINC001275829875 984689093 /nfs/dbraw/zinc/68/90/93/984689093.db2.gz DZEURVPNPHYQNY-UHFFFAOYSA-N 0 1 236.746 2.230 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)c1ccn[nH]1 ZINC001446895860 984702860 /nfs/dbraw/zinc/70/28/60/984702860.db2.gz RIQICMQYWFDKEC-LBPRGKRZSA-N 0 1 235.331 2.451 20 0 BEADMN Nc1ccc(F)c(-c2cncc3nc[nH]c32)c1 ZINC001243284364 984811237 /nfs/dbraw/zinc/81/12/37/984811237.db2.gz KUMATLRYLZHXOC-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(F)c(-c2cncc3[nH]cnc32)c1 ZINC001243284364 984811239 /nfs/dbraw/zinc/81/12/39/984811239.db2.gz KUMATLRYLZHXOC-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1cc(CN2CC(C3CCCC3)C2)[nH]n1 ZINC001326796239 984823456 /nfs/dbraw/zinc/82/34/56/984823456.db2.gz DOSQLAOAUUMOET-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN Cc1cc(CN2CC(C3CCCC3)C2)n[nH]1 ZINC001326796239 984823464 /nfs/dbraw/zinc/82/34/64/984823464.db2.gz DOSQLAOAUUMOET-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN Nc1ccnc(-c2ccncc2Cl)c1 ZINC001243383763 984868672 /nfs/dbraw/zinc/86/86/72/984868672.db2.gz ASSALNCSYVULDT-UHFFFAOYSA-N 0 1 205.648 2.379 20 0 BEADMN Cc1cc(CCC(=O)N2CC(C)(C)C[C@@H]2C)n[nH]1 ZINC001451560974 984895347 /nfs/dbraw/zinc/89/53/47/984895347.db2.gz WTVLLOCTPDNFEU-NSHDSACASA-N 0 1 249.358 2.298 20 0 BEADMN CCCCCC[C@H](C)N1CC(=O)NC[C@H]1C ZINC001257368535 984931443 /nfs/dbraw/zinc/93/14/43/984931443.db2.gz NUQIEULGDMFPEA-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN CSc1cccnc1NC(=O)c1cn[nH]c1C ZINC001452816807 984961129 /nfs/dbraw/zinc/96/11/29/984961129.db2.gz AFRZHAYOHFPBIC-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2c(O)cccc2F)[nH]1 ZINC001453020396 984982892 /nfs/dbraw/zinc/98/28/92/984982892.db2.gz ZTWLRJNOOXULIK-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN Cc1nc2cccc(-c3ccc(CO)nc3)c2[nH]1 ZINC001243468638 985005849 /nfs/dbraw/zinc/00/58/49/985005849.db2.gz QPQQLBGFUCXMPS-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC[C@@H](C)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001257441205 985018346 /nfs/dbraw/zinc/01/83/46/985018346.db2.gz XXHQTOXVAGJDMR-RISCZKNCSA-N 0 1 244.338 2.298 20 0 BEADMN Oc1cccc(-c2ccc3nn[nH]c3c2)c1F ZINC001243545097 985086817 /nfs/dbraw/zinc/08/68/17/985086817.db2.gz RAYXVHQCXWHUDK-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CSc1ncc2c(n1)CN(CC1CCC1)CC2 ZINC001202776581 985102077 /nfs/dbraw/zinc/10/20/77/985102077.db2.gz WUXCTEGPFUSDQI-UHFFFAOYSA-N 0 1 249.383 2.357 20 0 BEADMN CCc1ncc(CNC(=O)/C=C2\CC[C@H](C)C2)[nH]1 ZINC001456144752 985115238 /nfs/dbraw/zinc/11/52/38/985115238.db2.gz XPAVEMQICFXJHN-VUBLIPMDSA-N 0 1 247.342 2.335 20 0 BEADMN C[C@@H]1C[C@H](C(=O)NOCc2ccccc2)[C@H](C)O1 ZINC000686431439 985116427 /nfs/dbraw/zinc/11/64/27/985116427.db2.gz WXKCOBWRYRMHJH-MDZLAQPJSA-N 0 1 249.310 2.048 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000686505574 985124556 /nfs/dbraw/zinc/12/45/56/985124556.db2.gz DKIXUZJQEXNKBW-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN C/C=C(\C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456346471 985133006 /nfs/dbraw/zinc/13/30/06/985133006.db2.gz SFNMCKONPFPAGN-WEVVVXLNSA-N 0 1 221.304 2.116 20 0 BEADMN C/C=C(/C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456346469 985134487 /nfs/dbraw/zinc/13/44/87/985134487.db2.gz SFNMCKONPFPAGN-UITAMQMPSA-N 0 1 221.304 2.116 20 0 BEADMN COC(C)(C)CC(=O)Nc1ccc2cncn2c1 ZINC001456442664 985144821 /nfs/dbraw/zinc/14/48/21/985144821.db2.gz DHOZJYSJZDCDIM-UHFFFAOYSA-N 0 1 247.298 2.088 20 0 BEADMN C[C@H](Nc1nc2ccc(F)cc2o1)c1nnc[nH]1 ZINC001458304612 985288732 /nfs/dbraw/zinc/28/87/32/985288732.db2.gz PAKLCQIXNBYIOC-LURJTMIESA-N 0 1 247.233 2.258 20 0 BEADMN CCOc1ncc(-c2cc(N)ccn2)cc1F ZINC001243770173 985303921 /nfs/dbraw/zinc/30/39/21/985303921.db2.gz QQDQAETXKXXAJQ-UHFFFAOYSA-N 0 1 233.246 2.264 20 0 BEADMN Cc1c(F)nccc1-c1nccc2[nH]cnc21 ZINC001243776533 985313018 /nfs/dbraw/zinc/31/30/18/985313018.db2.gz MLMBKDMGDNWSCR-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c(F)nccc1-c1[nH]ccc2ncnc1-2 ZINC001243776533 985313022 /nfs/dbraw/zinc/31/30/22/985313022.db2.gz MLMBKDMGDNWSCR-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc(F)cc1-c1nccc2[nH]cnc21 ZINC001243780994 985322534 /nfs/dbraw/zinc/32/25/34/985322534.db2.gz UWZRTFYYLWRXAO-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc(F)cc1-c1[nH]ccc2ncnc1-2 ZINC001243780994 985322556 /nfs/dbraw/zinc/32/25/56/985322556.db2.gz UWZRTFYYLWRXAO-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCONC(=O)C(C)(C)c1ccccc1F ZINC000159471908 985350936 /nfs/dbraw/zinc/35/09/36/985350936.db2.gz UDMQOCXLAJTEER-UHFFFAOYSA-N 0 1 225.263 2.171 20 0 BEADMN Cc1nnc(SCc2cccc(C)n2)[nH]1 ZINC001458898372 985359142 /nfs/dbraw/zinc/35/91/42/985359142.db2.gz BDULUYUGTQZSEP-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1n[nH]c(SCc2cccc(C)n2)n1 ZINC001458898372 985359160 /nfs/dbraw/zinc/35/91/60/985359160.db2.gz BDULUYUGTQZSEP-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN OCCc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001243845254 985454880 /nfs/dbraw/zinc/45/48/80/985454880.db2.gz NQIVIRQKOMNZFQ-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2COC[C@H]2C)n1 ZINC000688050546 985533614 /nfs/dbraw/zinc/53/36/14/985533614.db2.gz UNAGXSCYGFIFOX-FKTZTGRPSA-N 0 1 226.345 2.137 20 0 BEADMN COc1nscc1CN1CC[C@@H](C)[C@H]1C ZINC001459633561 985578575 /nfs/dbraw/zinc/57/85/75/985578575.db2.gz UHOABWCTOVRFOT-RKDXNWHRSA-N 0 1 226.345 2.382 20 0 BEADMN C[C@H](Cc1ccco1)N1CCc2ncn(C)c2C1 ZINC001258199173 985603265 /nfs/dbraw/zinc/60/32/65/985603265.db2.gz NNVJCEXMWAGRDJ-LLVKDONJSA-N 0 1 245.326 2.002 20 0 BEADMN c1nc2cc(-c3cccc4nc[nH]c43)ccn2n1 ZINC001243932253 985606189 /nfs/dbraw/zinc/60/61/89/985606189.db2.gz LGRKZPHAQJJRDM-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C[S@@](=O)c1ccccc1C1=CNCCC1 ZINC001243950363 985648054 /nfs/dbraw/zinc/64/80/54/985648054.db2.gz QFHCRCFDXPLOMA-OAHLLOKOSA-N 0 1 221.325 2.148 20 0 BEADMN CN1Cc2cccc(C3=CNCCC3)c2NC1=O ZINC001243951916 985655712 /nfs/dbraw/zinc/65/57/12/985655712.db2.gz CQZSQWXEINWDPA-UHFFFAOYSA-N 0 1 243.310 2.388 20 0 BEADMN CN1CCc2cccc(C3=CNCCC3)c2C1=O ZINC001243952064 985657224 /nfs/dbraw/zinc/65/72/24/985657224.db2.gz OIHDMHXJSPXXHL-UHFFFAOYSA-N 0 1 242.322 2.039 20 0 BEADMN c1cc2ncc(C3=CNCCC3)cc2cn1 ZINC001243952431 985662556 /nfs/dbraw/zinc/66/25/56/985662556.db2.gz PUVWWLANVDNFIA-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN COC(=O)Cc1ccccc1-c1cc(N)ccn1 ZINC001243953523 985667793 /nfs/dbraw/zinc/66/77/93/985667793.db2.gz JPDGVGLQMKOKDQ-UHFFFAOYSA-N 0 1 242.278 2.046 20 0 BEADMN Cc1nc2cc(-c3cnc(F)nc3)ccc2[nH]1 ZINC001243965050 985677189 /nfs/dbraw/zinc/67/71/89/985677189.db2.gz MHRYLMIQRDEYOW-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cc(O)ccc1-c1cc2[nH]cnc2cn1 ZINC001243984151 985715956 /nfs/dbraw/zinc/71/59/56/985715956.db2.gz RSRMGSZZCOWZEH-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN NC(=O)c1cccnc1-c1c(O)cccc1Cl ZINC001244025962 985764000 /nfs/dbraw/zinc/76/40/00/985764000.db2.gz IAKGAEQLLIHDRN-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN CCOC[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)CC ZINC001596885385 985788061 /nfs/dbraw/zinc/78/80/61/985788061.db2.gz XKTGOQQUWGASLD-LLVKDONJSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001599961906 985798544 /nfs/dbraw/zinc/79/85/44/985798544.db2.gz CYXRNVUTUXXPHN-CYBMUJFWSA-N 0 1 248.326 2.396 20 0 BEADMN Oc1c(F)cc(-c2cccc3ncnn32)cc1F ZINC001244094862 985806855 /nfs/dbraw/zinc/80/68/55/985806855.db2.gz WOFXYRHFVRANEJ-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Oc1c(F)cc(-c2cn3ccnc3cn2)cc1F ZINC001244094031 985809605 /nfs/dbraw/zinc/80/96/05/985809605.db2.gz NHXUXMOVRCHDDC-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Oc1c(F)cc(-c2ccnnc2)cc1F ZINC001244097406 985809692 /nfs/dbraw/zinc/80/96/92/985809692.db2.gz OXJJWVCNXJVQEO-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CCC(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795335443 985820146 /nfs/dbraw/zinc/82/01/46/985820146.db2.gz OXXLPEGPDKEOTB-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CCC(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795335443 985820148 /nfs/dbraw/zinc/82/01/48/985820148.db2.gz OXXLPEGPDKEOTB-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN Cc1cnc(CN2C[C@H]3CCCC[C@H]32)cn1 ZINC001460351724 985838782 /nfs/dbraw/zinc/83/87/82/985838782.db2.gz NECMFHRZHVFONX-DGCLKSJQSA-N 0 1 217.316 2.159 20 0 BEADMN CSCCN(C)Cc1cccc2ccnn21 ZINC001138805721 985859068 /nfs/dbraw/zinc/85/90/68/985859068.db2.gz BLVIJAIGYJEBFA-UHFFFAOYSA-N 0 1 235.356 2.129 20 0 BEADMN Nc1ccnc(-c2cc(F)c(F)c(F)c2N)c1 ZINC001244150117 985859925 /nfs/dbraw/zinc/85/99/25/985859925.db2.gz IZUADLLSYAVBEH-UHFFFAOYSA-N 0 1 239.200 2.330 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCCC(C)C ZINC001460824999 985907185 /nfs/dbraw/zinc/90/71/85/985907185.db2.gz ZJLYKGHDEAMYSP-OCCSQVGLSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)n1cnnc1CN(C)C[Si](C)(C)C ZINC000795639786 985932249 /nfs/dbraw/zinc/93/22/49/985932249.db2.gz VEQMSYJSGCZUSL-UHFFFAOYSA-N 0 1 240.427 2.168 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCC(=O)[C@H](C)CC1 ZINC001258622462 985988802 /nfs/dbraw/zinc/98/88/02/985988802.db2.gz NDCMPDHIHMYLLH-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN Cc1nc(CNCCc2ccccc2O)cs1 ZINC001461128614 986012148 /nfs/dbraw/zinc/01/21/48/986012148.db2.gz LGQMFUQJEMEVPY-UHFFFAOYSA-N 0 1 248.351 2.489 20 0 BEADMN C[C@@H]1C[C@H](N2CCn3nncc3C2)CC(C)(C)C1 ZINC001258701198 986029553 /nfs/dbraw/zinc/02/95/53/986029553.db2.gz QCQLTXYVIBLHDK-NEPJUHHUSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1[nH]nc(CN2Cc3ccccc3CN2)c1C ZINC001579514000 986071787 /nfs/dbraw/zinc/07/17/87/986071787.db2.gz CDWLEEMOCYXWQY-UHFFFAOYSA-N 0 1 242.326 2.047 20 0 BEADMN Cc1ccc(O)cc1-c1cc(N)ccn1 ZINC001244446479 986096929 /nfs/dbraw/zinc/09/69/29/986096929.db2.gz HQJSTJJIIQISKM-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001594538254 986165109 /nfs/dbraw/zinc/16/51/09/986165109.db2.gz ZSTOROUIDAFTTP-UTLUCORTSA-N 0 1 236.315 2.189 20 0 BEADMN CN(Cc1cn(C2CC2)cn1)C1CCC1 ZINC001461926353 986234644 /nfs/dbraw/zinc/23/46/44/986234644.db2.gz JCCRCUVSCDRHPP-UHFFFAOYSA-N 0 1 205.305 2.202 20 0 BEADMN Cc1cc(Cl)c(N)c(-c2cnc(CN)nc2)c1 ZINC001244579463 986263414 /nfs/dbraw/zinc/26/34/14/986263414.db2.gz VSKVRJIWCICORO-UHFFFAOYSA-N 0 1 248.717 2.146 20 0 BEADMN CC[C@@H]1CN(C[C@]2(C)CCCCO2)CCO1 ZINC001462034810 986264411 /nfs/dbraw/zinc/26/44/11/986264411.db2.gz AKJXZLZXNUBOJU-OLZOCXBDSA-N 0 1 227.348 2.056 20 0 BEADMN CCC(O)(CC)CCNCc1ncccc1F ZINC001462097787 986281809 /nfs/dbraw/zinc/28/18/09/986281809.db2.gz ZCTVGZHFWWOXHY-UHFFFAOYSA-N 0 1 240.322 2.252 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cccn2C(F)F)C1 ZINC001462124687 986285496 /nfs/dbraw/zinc/28/54/96/986285496.db2.gz GSUMWRNQTURMNV-GFCCVEGCSA-N 0 1 244.285 2.230 20 0 BEADMN C[C@@H]1CCC[C@H](N2CCc3ncn(C)c3C2)C1 ZINC001258825891 986288888 /nfs/dbraw/zinc/28/88/88/986288888.db2.gz ANTUDIBDASNNCD-NEPJUHHUSA-N 0 1 233.359 2.357 20 0 BEADMN O=c1[nH]c2cc(F)ccc2cc1CNCCF ZINC001462171579 986301623 /nfs/dbraw/zinc/30/16/23/986301623.db2.gz NXPOOZSXDKMRQJ-UHFFFAOYSA-N 0 1 238.237 2.139 20 0 BEADMN CCCn1cc(CN(CC)CCOC)c(C)n1 ZINC001462216533 986313277 /nfs/dbraw/zinc/31/32/77/986313277.db2.gz TXFPMKUBGQUVDU-UHFFFAOYSA-N 0 1 239.363 2.070 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1ncccc1F ZINC001462248894 986324733 /nfs/dbraw/zinc/32/47/33/986324733.db2.gz NGXUSKCZSSDFDI-SECBINFHSA-N 0 1 208.280 2.451 20 0 BEADMN CO[C@H]1CCN(Cc2ncccc2F)C[C@@H]1C ZINC001462253626 986325590 /nfs/dbraw/zinc/32/55/90/986325590.db2.gz CZYAKOCIQAKKFN-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN Cc1csc(CNCc2cccnc2N)c1 ZINC001462250039 986326536 /nfs/dbraw/zinc/32/65/36/986326536.db2.gz MXERPAXJENMJMJ-UHFFFAOYSA-N 0 1 233.340 2.324 20 0 BEADMN Cc1c(F)cncc1-c1cccc2[nH]nnc21 ZINC001244834102 986379655 /nfs/dbraw/zinc/37/96/55/986379655.db2.gz CAGHNKFRJFQZDY-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCn1ccc(CN(C)C[C@H]2CC2(C)C)n1 ZINC001462476934 986402347 /nfs/dbraw/zinc/40/23/47/986402347.db2.gz HSMQANGGEMALQH-LLVKDONJSA-N 0 1 221.348 2.381 20 0 BEADMN CN(C)Cc1cccc(-c2ncncc2F)c1F ZINC001244862689 986403455 /nfs/dbraw/zinc/40/34/55/986403455.db2.gz GPQBPHCROTVPRT-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN CC1(NCc2ccc3scnc3c2)COC1 ZINC001462497046 986407342 /nfs/dbraw/zinc/40/73/42/986407342.db2.gz TXMCIHHRLQTLBT-UHFFFAOYSA-N 0 1 234.324 2.175 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C(F)F)CC[C@@H]1O ZINC001462132161 986453912 /nfs/dbraw/zinc/45/39/12/986453912.db2.gz FJPPRDOSSWAMRC-KOLCDFICSA-N 0 1 244.285 2.086 20 0 BEADMN Cn1c(Cl)cnc1CNC[C@]1(C)CC1(F)F ZINC000689263009 986468866 /nfs/dbraw/zinc/46/88/66/986468866.db2.gz SBLLZSGTZBWJQB-VIFPVBQESA-N 0 1 249.692 2.208 20 0 BEADMN Cc1c(O)cccc1-c1cc(N)ccn1 ZINC001244955769 986510986 /nfs/dbraw/zinc/51/09/86/986510986.db2.gz AWAQUPSZUBHERW-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN CN1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001262491124 986559055 /nfs/dbraw/zinc/55/90/55/986559055.db2.gz SBPKOMPBNLJQRK-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1c(F)ccc(F)c1-c1ncnc2c1CNC2 ZINC001244981809 986572931 /nfs/dbraw/zinc/57/29/31/986572931.db2.gz HYHLCEXYURXXLA-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN COc1c(O)cccc1-c1nccc(N)c1C ZINC001244985824 986581163 /nfs/dbraw/zinc/58/11/63/986581163.db2.gz GDIUMYHGXLFUOM-UHFFFAOYSA-N 0 1 230.267 2.353 20 0 BEADMN Oc1ccc(-c2cc3c(nn2)CNC3)c(Cl)c1 ZINC001245078919 986640181 /nfs/dbraw/zinc/64/01/81/986640181.db2.gz NLKSRPAUDNXBSP-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CC[C@@H]1CCCN1C(=O)CCc1cc(C)[nH]n1 ZINC001465154846 986695817 /nfs/dbraw/zinc/69/58/17/986695817.db2.gz OCIQJLGYXKVOLX-GFCCVEGCSA-N 0 1 235.331 2.052 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)CCc1cc(C)[nH]n1 ZINC001465528173 986729428 /nfs/dbraw/zinc/72/94/28/986729428.db2.gz LRYMNHLPCXIVEW-GXFFZTMASA-N 0 1 249.358 2.298 20 0 BEADMN COCn1cc(-c2cc3nc[nH]c3c(C)c2)cn1 ZINC001245219211 986741082 /nfs/dbraw/zinc/74/10/82/986741082.db2.gz MLUIAFGXDFHEMJ-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN O[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[C@@H]1F ZINC001137313902 986755551 /nfs/dbraw/zinc/75/55/51/986755551.db2.gz ZDTJIMIZMCDCOB-GXTWGEPZSA-N 0 1 248.301 2.073 20 0 BEADMN COc1cc(F)cc(NC(=O)c2[nH]cnc2C)c1 ZINC001466010592 986759152 /nfs/dbraw/zinc/75/91/52/986759152.db2.gz HFJJWOHPMKFEFX-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COCC1CN(Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137333519 986796650 /nfs/dbraw/zinc/79/66/50/986796650.db2.gz KAGDILYOBULAQM-UHFFFAOYSA-N 0 1 248.301 2.385 20 0 BEADMN Clc1ccnc(CNC2CCSCC2)n1 ZINC001255082084 986811508 /nfs/dbraw/zinc/81/15/08/986811508.db2.gz PJUPGCDGMORYEH-UHFFFAOYSA-N 0 1 243.763 2.115 20 0 BEADMN CCO/C=C\C(=O)Nc1cc(C(C)=O)ccc1O ZINC001466526096 986812232 /nfs/dbraw/zinc/81/22/32/986812232.db2.gz UAXLKJSLZPKLJF-SREVYHEPSA-N 0 1 249.266 2.084 20 0 BEADMN FC[C@@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000390815998 986852913 /nfs/dbraw/zinc/85/29/13/986852913.db2.gz KRDYDLASJFEQLV-QWHCGFSZSA-N 0 1 223.291 2.466 20 0 BEADMN CC(=O)[C@H](N[C@H]1CCSC1)c1ccccc1 ZINC001255269723 986878060 /nfs/dbraw/zinc/87/80/60/986878060.db2.gz OHOPLCOSJJSHRF-STQMWFEESA-N 0 1 235.352 2.412 20 0 BEADMN CC[C@@H]1COCCN1Cc1c[nH]c2ncccc12 ZINC001137403304 986880006 /nfs/dbraw/zinc/88/00/06/986880006.db2.gz IEKPNNPUQIGZSZ-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cc2c(cn1)CN([C@H]1CCSC1)C2 ZINC001255289674 986888100 /nfs/dbraw/zinc/88/81/00/986888100.db2.gz AEQNEGKIFRQCOR-LBPRGKRZSA-N 0 1 220.341 2.211 20 0 BEADMN Nc1ncc(-c2cc3nc[nH]c3cc2F)cc1F ZINC001245523191 986902969 /nfs/dbraw/zinc/90/29/69/986902969.db2.gz ZDSHNYCQIBKUMS-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN C/C=C(\C)C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001468311128 986903323 /nfs/dbraw/zinc/90/33/23/986903323.db2.gz OVTYAXXCXGOVQZ-XVNBXDOJSA-N 0 1 231.255 2.173 20 0 BEADMN C[C@H](NC(=O)c1[nH]ncc1F)C1CCCCC1 ZINC001469273919 986975861 /nfs/dbraw/zinc/97/58/61/986975861.db2.gz URVXIAWOUGJPJU-QMMMGPOBSA-N 0 1 239.294 2.247 20 0 BEADMN COc1cc(OC)c(-c2cc(N)c(C)cn2)cn1 ZINC001245607690 986992552 /nfs/dbraw/zinc/99/25/52/986992552.db2.gz DMFGKKRXXRRLJK-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN Cc1nocc1NC(=O)c1cccc2[nH]ncc21 ZINC001469683405 986994027 /nfs/dbraw/zinc/99/40/27/986994027.db2.gz OVGSWGBAMPRGOY-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN c1cc2cccc(-c3cc4c(nn3)CNC4)c2o1 ZINC001245615584 987000270 /nfs/dbraw/zinc/00/02/70/987000270.db2.gz VLIZZQZRKGFRIR-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN Nc1cccc(-c2cc(O)c(F)c(F)c2F)n1 ZINC001245633454 987005835 /nfs/dbraw/zinc/00/58/35/987005835.db2.gz CHCBCACJFFUCPL-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Nc1ccc(-c2cc(O)c(F)c(F)c2F)cn1 ZINC001245636887 987013231 /nfs/dbraw/zinc/01/32/31/987013231.db2.gz DBPLDYBTCWRNTM-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Oc1cc(-c2ccnnc2)c(F)c(F)c1F ZINC001245638376 987013492 /nfs/dbraw/zinc/01/34/92/987013492.db2.gz HVMUKBOUMSELDJ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN COC(=O)c1ccc(-c2c(O)cccc2F)nc1 ZINC001245652093 987018539 /nfs/dbraw/zinc/01/85/39/987018539.db2.gz NTARJPSGOZUNPQ-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN COc1c(C)ncnc1-c1c(O)cccc1F ZINC001245653581 987023981 /nfs/dbraw/zinc/02/39/81/987023981.db2.gz ITPLMTSNFOEBSX-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Nc1ncc(-c2cc(Cl)c(O)cc2F)cn1 ZINC001245672560 987055422 /nfs/dbraw/zinc/05/54/22/987055422.db2.gz WBOWRAINTQMGOZ-UHFFFAOYSA-N 0 1 239.637 2.224 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2CCn3ccnc32)CS1 ZINC000689578819 987063466 /nfs/dbraw/zinc/06/34/66/987063466.db2.gz CNQSJDXVDAXJBR-OUAUKWLOSA-N 0 1 237.372 2.202 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cccc(F)c1O ZINC001471167351 987082432 /nfs/dbraw/zinc/08/24/32/987082432.db2.gz ABUVBHTTWUHQOX-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN CCc1ccc(-c2ccc3cncn3c2)nn1 ZINC001245893678 987102228 /nfs/dbraw/zinc/10/22/28/987102228.db2.gz CHCXGHTVRMUHNK-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CCc1ncc(-c2ccc3cncn3c2)cn1 ZINC001245895781 987107093 /nfs/dbraw/zinc/10/70/93/987107093.db2.gz CIPLZAHSHCEUGR-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CCOc1ccc(-c2ccc3cncn3c2)nn1 ZINC001245895126 987107504 /nfs/dbraw/zinc/10/75/04/987107504.db2.gz PXWDZRWSZHELFC-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)cc(=O)o1 ZINC001245895655 987110019 /nfs/dbraw/zinc/11/00/19/987110019.db2.gz CXTUVNYVIRGVNX-UHFFFAOYSA-N 0 1 226.235 2.263 20 0 BEADMN Cn1ccc2ncnc(-c3ccc4cncn4c3)c21 ZINC001245895844 987110357 /nfs/dbraw/zinc/11/03/57/987110357.db2.gz HLPJYNYDIIVUKO-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN Cn1ccc2cnc(-c3ccc4cncn4c3)nc21 ZINC001245896585 987116618 /nfs/dbraw/zinc/11/66/18/987116618.db2.gz SJLIRLZVUMZKDN-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN Cn1nnc2ccc(-c3ccc4cncn4c3)cc21 ZINC001245897300 987119124 /nfs/dbraw/zinc/11/91/24/987119124.db2.gz XQGLHWIBPCLZGY-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1cc2[n-][nH+]c(-c3ccc4cncn4c3)cc-2n1 ZINC001245897881 987123198 /nfs/dbraw/zinc/12/31/98/987123198.db2.gz GJOOECSUVHTZKO-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1nc2c(-c3ccc4cncn4c3)cccn2n1 ZINC001245898341 987129697 /nfs/dbraw/zinc/12/96/97/987129697.db2.gz PTJOADMDQBWQAO-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN CCc1cc(=O)n(Cc2cc(F)cc(F)c2)[nH]1 ZINC001245918165 987149481 /nfs/dbraw/zinc/14/94/81/987149481.db2.gz SUDZWVIQEHTOTN-UHFFFAOYSA-N 0 1 238.237 2.478 20 0 BEADMN Cc1ccc(C2=NN(CCCCO)C(=O)C2)cc1 ZINC001245920377 987156153 /nfs/dbraw/zinc/15/61/53/987156153.db2.gz DVBVJUOLYIEMNL-UHFFFAOYSA-N 0 1 246.310 2.337 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccnc(F)c2)[nH]1 ZINC001245918353 987162895 /nfs/dbraw/zinc/16/28/95/987162895.db2.gz YRRSABSBJSVMEX-UHFFFAOYSA-N 0 1 221.235 2.235 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCCC2(C)C)[nH]1 ZINC001472021444 987163457 /nfs/dbraw/zinc/16/34/57/987163457.db2.gz WJPVQBAKRKRFKG-LLVKDONJSA-N 0 1 249.358 2.415 20 0 BEADMN CCCCc1cc(=O)n(-c2nccs2)[nH]1 ZINC001245926370 987178571 /nfs/dbraw/zinc/17/85/71/987178571.db2.gz IQODGMCDUWVTBB-UHFFFAOYSA-N 0 1 223.301 2.377 20 0 BEADMN CCCCc1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001245926109 987178664 /nfs/dbraw/zinc/17/86/64/987178664.db2.gz DSIJCPYYGARHJR-UHFFFAOYSA-N 0 1 231.299 2.375 20 0 BEADMN Cc1cc(=O)n([C@H](C)c2cccc(O)c2)[nH]1 ZINC001245928328 987186331 /nfs/dbraw/zinc/18/63/31/987186331.db2.gz UNXPGSSIHPOZAN-SECBINFHSA-N 0 1 218.256 2.212 20 0 BEADMN CC(C)(C)c1cc(=O)n(-c2ccnc(F)c2)[nH]1 ZINC001245929065 987190387 /nfs/dbraw/zinc/19/03/87/987190387.db2.gz CEIJUJHOSJXYDC-UHFFFAOYSA-N 0 1 235.262 2.410 20 0 BEADMN CC(C)(C)c1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001245929654 987193443 /nfs/dbraw/zinc/19/34/43/987193443.db2.gz MUBADDQCZFSPOB-UHFFFAOYSA-N 0 1 231.299 2.330 20 0 BEADMN O=c1cc(CCC2CCCC2)[nH]n1-c1ncc[nH]1 ZINC001245937284 987208230 /nfs/dbraw/zinc/20/82/30/987208230.db2.gz KZMVGTSFFULTNH-UHFFFAOYSA-N 0 1 246.314 2.424 20 0 BEADMN COCCc1cc(=O)n(C2CCCCC2)[nH]1 ZINC001245940673 987209984 /nfs/dbraw/zinc/20/99/84/987209984.db2.gz XWEXRSCESLPIIU-UHFFFAOYSA-N 0 1 224.304 2.283 20 0 BEADMN CC(C)(C)n1[nH]c(C2CCOCC2)cc1=O ZINC001245941610 987210310 /nfs/dbraw/zinc/21/03/10/987210310.db2.gz AZEQXNARAYGRKN-UHFFFAOYSA-N 0 1 224.304 2.238 20 0 BEADMN COCCc1cc(=O)n([C@H]2CCC[C@H]2C)[nH]1 ZINC001245939951 987212450 /nfs/dbraw/zinc/21/24/50/987212450.db2.gz PPWRAAOHYKCILE-KOLCDFICSA-N 0 1 224.304 2.139 20 0 BEADMN CCCN1N=C(c2ccccc2N)CC1=O ZINC001245946603 987224366 /nfs/dbraw/zinc/22/43/66/987224366.db2.gz IOOQLNWENZRIFR-UHFFFAOYSA-N 0 1 217.272 2.248 20 0 BEADMN Cc1cc(C)cc(C2=NN(C[C@@H](C)O)C(=O)C2)c1 ZINC001245950063 987226188 /nfs/dbraw/zinc/22/61/88/987226188.db2.gz VJVJXEPMARKGAE-LLVKDONJSA-N 0 1 246.310 2.253 20 0 BEADMN C/C(=C/C[N@@H+]1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000696414777 987343659 /nfs/dbraw/zinc/34/36/59/987343659.db2.gz GCSCTLSNQWDEMC-CHDHTGKKSA-N 0 1 233.258 2.137 20 0 BEADMN C[C@@H](CO)[C@H]1CCCCN1Cc1cscn1 ZINC000696706555 987344110 /nfs/dbraw/zinc/34/41/10/987344110.db2.gz YTVKXYJHWJFKLX-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000699719931 987382312 /nfs/dbraw/zinc/38/23/12/987382312.db2.gz DYDKGBACJNFBNN-OPRDCNLKSA-N 0 1 249.301 2.463 20 0 BEADMN CC[C@@H]1CCN(Cc2ncccn2)[C@H]1C ZINC001473402311 987422288 /nfs/dbraw/zinc/42/22/88/987422288.db2.gz JEMQMJGJNKQSNB-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN CC[C@H]1CCN(Cc2nnc3n2CCCC3)[C@H]1C ZINC001473403589 987424460 /nfs/dbraw/zinc/42/44/60/987424460.db2.gz VOIDQNLOBXJHAJ-RYUDHWBXSA-N 0 1 248.374 2.235 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)C2(C)C)n[nH]1 ZINC001116211379 987481258 /nfs/dbraw/zinc/48/12/58/987481258.db2.gz AHFOZUIXFVMCIM-UHFFFAOYSA-N 0 1 235.331 2.233 20 0 BEADMN CCCCCCN1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC001473600598 987499978 /nfs/dbraw/zinc/49/99/78/987499978.db2.gz TYTNXSKHYLKEDQ-SDDRHHMPSA-N 0 1 226.364 2.164 20 0 BEADMN CCCCN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001473765614 987549337 /nfs/dbraw/zinc/54/93/37/987549337.db2.gz IPLWGQAWQXYFGO-UHFFFAOYSA-N 0 1 233.315 2.175 20 0 BEADMN CCC[C@@H](C(=O)NCCN1CC=CC1)C(C)C ZINC001116417223 987559872 /nfs/dbraw/zinc/55/98/72/987559872.db2.gz FAUFADYZSFPTOZ-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(C)n[nH]1 ZINC001116445228 987576089 /nfs/dbraw/zinc/57/60/89/987576089.db2.gz IQARCOOVQMFDLT-SNVBAGLBSA-N 0 1 227.377 2.292 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1cc(C)n[nH]1 ZINC001116445228 987576101 /nfs/dbraw/zinc/57/61/01/987576101.db2.gz IQARCOOVQMFDLT-SNVBAGLBSA-N 0 1 227.377 2.292 20 0 BEADMN CCCC1CCN(Cc2ccn(C)n2)CC1 ZINC001116443138 987578054 /nfs/dbraw/zinc/57/80/54/987578054.db2.gz HMZUEPJPAFFVLT-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CCNCC2(F)F)C[C@H]1C ZINC001246210577 987606900 /nfs/dbraw/zinc/60/69/00/987606900.db2.gz JHZFOGNGLAYZRM-WYUUTHIRSA-N 0 1 246.345 2.398 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2CCNCC2(F)F)C[C@H]1C ZINC001246210574 987607358 /nfs/dbraw/zinc/60/73/58/987607358.db2.gz JHZFOGNGLAYZRM-WISYIIOYSA-N 0 1 246.345 2.398 20 0 BEADMN CC[C@H](CC(C)C)NC1(C(F)(F)F)CNC1 ZINC001246251882 987648602 /nfs/dbraw/zinc/64/86/02/987648602.db2.gz FTEXLWANHSUNAH-SECBINFHSA-N 0 1 238.297 2.305 20 0 BEADMN CC[C@H]1CC[C@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246252765 987653098 /nfs/dbraw/zinc/65/30/98/987653098.db2.gz INBMFSNCBMBDIU-IUCAKERBSA-N 0 1 236.281 2.059 20 0 BEADMN COc1ccc(F)c(CNCc2cc[nH]c2)c1 ZINC001474217063 987662411 /nfs/dbraw/zinc/66/24/11/987662411.db2.gz LYHMWTJDJDULAR-UHFFFAOYSA-N 0 1 234.274 2.452 20 0 BEADMN CC(C)(F)CNCc1cc(-c2ccccn2)n[nH]1 ZINC001474229715 987664902 /nfs/dbraw/zinc/66/49/02/987664902.db2.gz CLQIXDBWJJHHTJ-UHFFFAOYSA-N 0 1 248.305 2.309 20 0 BEADMN Cn1cc(Cl)c(CNC2(C3CC3)CCC2)n1 ZINC001474265956 987671433 /nfs/dbraw/zinc/67/14/33/987671433.db2.gz JJHIDVDDDCYNTQ-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN [O-]c1cccc2c(NC[C@H]3CCOC3)cc[nH+]c12 ZINC001116728874 987685980 /nfs/dbraw/zinc/68/59/80/987685980.db2.gz AYAPQLXYUIVLBY-SNVBAGLBSA-N 0 1 244.294 2.389 20 0 BEADMN CC(C)=CCNC(=O)c1ccc2cncn2c1C ZINC001116769321 987700656 /nfs/dbraw/zinc/70/06/56/987700656.db2.gz IXLLASKCEFJWSH-UHFFFAOYSA-N 0 1 243.310 2.339 20 0 BEADMN CSc1ccc(CN2CC[C@H](C)[C@H](O)C2)o1 ZINC001474500582 987739818 /nfs/dbraw/zinc/73/98/18/987739818.db2.gz FRZGSGZNYIBKAW-GXSJLCMTSA-N 0 1 241.356 2.204 20 0 BEADMN Cc1cc(CN2CCc3cc(F)ccc32)n[nH]1 ZINC001116945457 987768392 /nfs/dbraw/zinc/76/83/92/987768392.db2.gz SBJFRIFWMAZMDX-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN Fc1cccnc1CN1CC[C@H]2C[C@H]2C1 ZINC001474639513 987790094 /nfs/dbraw/zinc/79/00/94/987790094.db2.gz HGJVOBLDMCQDJN-UWVGGRQHSA-N 0 1 206.264 2.063 20 0 BEADMN CCCn1cncc1CN1CC[C@H](CF)C1 ZINC001474683369 987800928 /nfs/dbraw/zinc/80/09/28/987800928.db2.gz KBKZYRSXZGERGD-LLVKDONJSA-N 0 1 225.311 2.085 20 0 BEADMN CS[C@H]1CC[C@@H](N(C)Cc2ccon2)C1 ZINC001117668667 987855080 /nfs/dbraw/zinc/85/50/80/987855080.db2.gz NTQBAIYUYBBTEI-MNOVXSKESA-N 0 1 226.345 2.391 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001594770038 987863701 /nfs/dbraw/zinc/86/37/01/987863701.db2.gz AAMBEMMBDCIBOV-NEPJUHHUSA-N 0 1 237.274 2.436 20 0 BEADMN Cc1nnc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC001117703296 987866334 /nfs/dbraw/zinc/86/63/34/987866334.db2.gz JLSZYYDWZDZREB-SRSLHRDFSA-N 0 1 227.333 2.161 20 0 BEADMN c1cc(CN2CCOCC3(CC3)C2)n(C2CC2)c1 ZINC001117744569 987887944 /nfs/dbraw/zinc/88/79/44/987887944.db2.gz NXRYTQXDAWBZIR-UHFFFAOYSA-N 0 1 246.354 2.435 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NCCN1CC=CC1 ZINC001117753045 987889716 /nfs/dbraw/zinc/88/97/16/987889716.db2.gz YKGKILPYUYIWGS-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CCC=C(C)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001321581746 987947047 /nfs/dbraw/zinc/94/70/47/987947047.db2.gz WSCRXRZUCJGBPH-SOFGYWHQSA-N 0 1 222.292 2.223 20 0 BEADMN CC/C=C(\C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001321581746 987947056 /nfs/dbraw/zinc/94/70/56/987947056.db2.gz WSCRXRZUCJGBPH-SOFGYWHQSA-N 0 1 222.292 2.223 20 0 BEADMN CC[C@H](C)C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001494342180 988135829 /nfs/dbraw/zinc/13/58/29/988135829.db2.gz WTVGVSAIQSTODX-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CCCNC(=O)CN1CCC(CCC)CC1 ZINC001322272078 988184497 /nfs/dbraw/zinc/18/44/97/988184497.db2.gz LELRXNYWINPNRA-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CS[C@H]1CC[C@H](N(C)Cc2cn(C)cn2)C1 ZINC001118496150 988388875 /nfs/dbraw/zinc/38/88/75/988388875.db2.gz PBLVJSBRHVWHAR-RYUDHWBXSA-N 0 1 239.388 2.136 20 0 BEADMN Cc1ncsc1CCSCc1nnc[nH]1 ZINC001118537526 988417319 /nfs/dbraw/zinc/41/73/19/988417319.db2.gz OPQPPTSJPFOBGG-UHFFFAOYSA-N 0 1 240.357 2.046 20 0 BEADMN CCc1cccc(F)c1C[N@@H+](CC)CC(=O)[O-] ZINC001597592903 988421938 /nfs/dbraw/zinc/42/19/38/988421938.db2.gz MOZIJSMCEXHRNZ-UHFFFAOYSA-N 0 1 239.290 2.295 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1nc[nH]n1 ZINC001118558058 988435066 /nfs/dbraw/zinc/43/50/66/988435066.db2.gz VKOQDYKRBMCAMG-NSHDSACASA-N 0 1 222.336 2.205 20 0 BEADMN Cc1cc(NC(=O)[C@H](C)C(F)(F)F)cc(C)n1 ZINC001323080546 988445466 /nfs/dbraw/zinc/44/54/66/988445466.db2.gz VBTGPSJPQNTZKU-QMMMGPOBSA-N 0 1 246.232 2.257 20 0 BEADMN Cc1ccc(C)c(NCc2nnc[nH]2)c1 ZINC001118578615 988461568 /nfs/dbraw/zinc/46/15/68/988461568.db2.gz JSPSRSZBOSNWOL-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN FC1(F)CC(CSCc2nnc[nH]2)C1 ZINC001118596953 988472674 /nfs/dbraw/zinc/47/26/74/988472674.db2.gz HBCGVXHYXPCPIK-UHFFFAOYSA-N 0 1 219.260 2.083 20 0 BEADMN Cc1cc(CN2CC(C)(C)OCC2(C)C)n[nH]1 ZINC001323311776 988495059 /nfs/dbraw/zinc/49/50/59/988495059.db2.gz UPFSVKADWFVVNH-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC001323320267 988497620 /nfs/dbraw/zinc/49/76/20/988497620.db2.gz AGOVROOIFUCHRM-NXEZZACHSA-N 0 1 207.321 2.196 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H](N)[C@@H](F)C1 ZINC001246822270 988510067 /nfs/dbraw/zinc/51/00/67/988510067.db2.gz XACRRTQRKMJJFL-QNWHQSFQSA-N 0 1 230.371 2.428 20 0 BEADMN CC[C@@H](C)CN1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001499631737 988552518 /nfs/dbraw/zinc/55/25/18/988552518.db2.gz JYLPRDWSTJMCNE-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN C/C=C(\C)C(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001499650303 988556580 /nfs/dbraw/zinc/55/65/80/988556580.db2.gz SPFXZMDRKSZUNT-LAPSENCUSA-N 0 1 238.375 2.141 20 0 BEADMN CCc1ccc[nH+]c1NC1CC(CC(=O)[O-])C1 ZINC001597622475 988560824 /nfs/dbraw/zinc/56/08/24/988560824.db2.gz VGSYYEIKQOZXID-UHFFFAOYSA-N 0 1 234.299 2.309 20 0 BEADMN CC(C)CN1CC(N(C)C(=O)CC(C)(C)C)C1 ZINC001323884654 988639799 /nfs/dbraw/zinc/63/97/99/988639799.db2.gz DKBLSIKCAIKRGF-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001323914197 988647069 /nfs/dbraw/zinc/64/70/69/988647069.db2.gz FFEOSNLJQGLODT-NSHDSACASA-N 0 1 235.331 2.077 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001595711803 988652211 /nfs/dbraw/zinc/65/22/11/988652211.db2.gz ACRIGVYECKGGEY-NSHDSACASA-N 0 1 245.388 2.316 20 0 BEADMN Cc1cc(CN[C@H]2c3ccccc3O[C@H]2C)[nH]n1 ZINC001324034511 988672065 /nfs/dbraw/zinc/67/20/65/988672065.db2.gz KZKGYFAQHCEMKU-IINYFYTJSA-N 0 1 243.310 2.330 20 0 BEADMN CC[C@@H](C)[C@@H]([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC001118918495 988699411 /nfs/dbraw/zinc/69/94/11/988699411.db2.gz KAHHWMOPTMXIMN-GMSGAONNSA-N 0 1 242.344 2.040 20 0 BEADMN CN(C)c1ncccc1CNCCC(F)(F)F ZINC001324105836 988704080 /nfs/dbraw/zinc/70/40/80/988704080.db2.gz LJYBAAXSWRJORJ-UHFFFAOYSA-N 0 1 247.264 2.190 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)CN(C)C3)[nH]n1 ZINC001324124258 988716491 /nfs/dbraw/zinc/71/64/91/988716491.db2.gz KKSHSQKDCISCRC-UHFFFAOYSA-N 0 1 242.326 2.276 20 0 BEADMN CCC(C)=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001324357621 988812445 /nfs/dbraw/zinc/81/24/45/988812445.db2.gz VCYNIEJKFLEMHK-VURMDHGXSA-N 0 1 222.292 2.223 20 0 BEADMN CC/C(C)=C\C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001324357621 988812448 /nfs/dbraw/zinc/81/24/48/988812448.db2.gz VCYNIEJKFLEMHK-VURMDHGXSA-N 0 1 222.292 2.223 20 0 BEADMN C[C@H](O)[C@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC001119067497 988827978 /nfs/dbraw/zinc/82/79/78/988827978.db2.gz JPJFMPFHPXSJPH-HOTUBEGUSA-N 0 1 229.270 2.195 20 0 BEADMN C[C@H](O)[C@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC001119067496 988829284 /nfs/dbraw/zinc/82/92/84/988829284.db2.gz JPJFMPFHPXSJPH-AUTRQRHGSA-N 0 1 229.270 2.195 20 0 BEADMN OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC001247010676 988838240 /nfs/dbraw/zinc/83/82/40/988838240.db2.gz BGDCEDPBQNJYFR-UHFFFAOYSA-N 0 1 234.152 2.213 20 0 BEADMN CSc1ccc2nc(CCCO)[nH]c2c1 ZINC001247011367 988841188 /nfs/dbraw/zinc/84/11/88/988841188.db2.gz HOXYBDOFWRONAO-UHFFFAOYSA-N 0 1 222.313 2.210 20 0 BEADMN CO[C@@H]1C[C@@H](N(C)Cc2cc(C)n[nH]2)C12CCC2 ZINC001324439370 988843249 /nfs/dbraw/zinc/84/32/49/988843249.db2.gz VWSAHNBHPDYWKE-CHWSQXEVSA-N 0 1 249.358 2.108 20 0 BEADMN OCCc1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001247020602 988843445 /nfs/dbraw/zinc/84/34/45/988843445.db2.gz MXBMTBLUDKGURN-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN CO[C@H]1C[C@H](N(C)Cc2cc(C)n[nH]2)C12CCC2 ZINC001324439373 988844202 /nfs/dbraw/zinc/84/42/02/988844202.db2.gz VWSAHNBHPDYWKE-STQMWFEESA-N 0 1 249.358 2.108 20 0 BEADMN COC(=O)c1csc(CNC(C)(C)CF)c1 ZINC001119244990 988859743 /nfs/dbraw/zinc/85/97/43/988859743.db2.gz LQJXZUVUQWHWMQ-UHFFFAOYSA-N 0 1 245.319 2.372 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1ncoc1C(C)C ZINC001324502068 988861319 /nfs/dbraw/zinc/86/13/19/988861319.db2.gz FUVHJOMCOIOUPL-ZYHUDNBSSA-N 0 1 238.331 2.455 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H](C)C(C)(F)F)n1 ZINC001324504906 988861420 /nfs/dbraw/zinc/86/14/20/988861420.db2.gz AIRDIKPTFAINMO-LURJTMIESA-N 0 1 246.261 2.158 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC001324504906 988861423 /nfs/dbraw/zinc/86/14/23/988861423.db2.gz AIRDIKPTFAINMO-LURJTMIESA-N 0 1 246.261 2.158 20 0 BEADMN Cc1cnc(CN[C@H]2CCC[C@@H](F)C2)o1 ZINC001119246817 988862277 /nfs/dbraw/zinc/86/22/77/988862277.db2.gz HKTLVLFONGBNES-ZJUUUORDSA-N 0 1 212.268 2.353 20 0 BEADMN Cc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1C(=O)[O-] ZINC001600191581 988868670 /nfs/dbraw/zinc/86/86/70/988868670.db2.gz CBUUVMKNHFBGHL-TXEJJXNPSA-N 0 1 231.295 2.145 20 0 BEADMN CNCc1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001247432089 988887388 /nfs/dbraw/zinc/88/73/88/988887388.db2.gz SELUKNPKSHXZMZ-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CNCc1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247431702 988888058 /nfs/dbraw/zinc/88/80/58/988888058.db2.gz MZBQQYXHCCKEII-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN COC[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC001119289078 988888630 /nfs/dbraw/zinc/88/86/30/988888630.db2.gz FFYRGXBLJCALLO-NSHDSACASA-N 0 1 245.326 2.201 20 0 BEADMN CCOc1ccc(-c2noc([C@@H](C)NC)n2)cc1 ZINC001247489807 988895296 /nfs/dbraw/zinc/89/52/96/988895296.db2.gz ICKYASKGDJAIGZ-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(N(C)C)cc2)no1 ZINC001247489825 988896310 /nfs/dbraw/zinc/89/63/10/988896310.db2.gz IJWDMTRHOVVRRW-SECBINFHSA-N 0 1 246.314 2.083 20 0 BEADMN COC[C@@H](C)NCc1noc2cc(F)ccc12 ZINC001119303828 988913728 /nfs/dbraw/zinc/91/37/28/988913728.db2.gz JTCADIRDRFRKQY-MRVPVSSYSA-N 0 1 238.262 2.091 20 0 BEADMN COC[C@H](C)NCc1noc2cc(F)ccc12 ZINC001119303829 988918424 /nfs/dbraw/zinc/91/84/24/988918424.db2.gz JTCADIRDRFRKQY-QMMMGPOBSA-N 0 1 238.262 2.091 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)NCCN1CC=CC1 ZINC001324731736 988955071 /nfs/dbraw/zinc/95/50/71/988955071.db2.gz PAIPGUSKGNTNRQ-GFCCVEGCSA-N 0 1 240.347 2.019 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)[C@H](C)C1 ZINC001599848440 988973418 /nfs/dbraw/zinc/97/34/18/988973418.db2.gz KXNHGNAMNCTRMX-DOLQZWNJSA-N 0 1 247.285 2.073 20 0 BEADMN CCc1cc(-c2noc([C@@H]3CCN3)n2)ccc1F ZINC001247676592 988977577 /nfs/dbraw/zinc/97/75/77/988977577.db2.gz KPXQWLAJGNDCHW-NSHDSACASA-N 0 1 247.273 2.473 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CC[C@@H]1C(C)(C)C ZINC001515114245 988991803 /nfs/dbraw/zinc/99/18/03/988991803.db2.gz LXWFCPFTQKLUTQ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nccc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC001119352988 988997758 /nfs/dbraw/zinc/99/77/58/988997758.db2.gz VQSLJPVGLPTVMM-JTQLQIEISA-N 0 1 243.314 2.252 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc(-c3ccccn3)no2)NC1 ZINC001247821120 989027948 /nfs/dbraw/zinc/02/79/48/989027948.db2.gz WCFAOELRVGCRMA-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN Nc1ccnc(CNC(=O)C=C2CCCCC2)c1 ZINC001119383451 989028512 /nfs/dbraw/zinc/02/85/12/989028512.db2.gz KOARRMBWVWVXCP-UHFFFAOYSA-N 0 1 245.326 2.171 20 0 BEADMN CCCCCOC1CN(Cc2cc(C)[nH]n2)C1 ZINC001325013343 989061564 /nfs/dbraw/zinc/06/15/64/989061564.db2.gz MZGYREADSRINHB-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3C=CCN3)n2)c(F)c1 ZINC001248230429 989085366 /nfs/dbraw/zinc/08/53/66/989085366.db2.gz YPERJIDPPVPVCS-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN Cc1ccccc1-c1noc([C@@H]2C=CCN2)n1 ZINC001248227119 989085841 /nfs/dbraw/zinc/08/58/41/989085841.db2.gz AQMYWCBTZYGPGX-NSHDSACASA-N 0 1 227.267 2.246 20 0 BEADMN CCc1cc(-c2noc([C@H]3CCN3)n2)ccc1F ZINC001248284385 989086664 /nfs/dbraw/zinc/08/66/64/989086664.db2.gz KPXQWLAJGNDCHW-LLVKDONJSA-N 0 1 247.273 2.473 20 0 BEADMN Cc1c(F)cccc1-c1noc([C@@H]2C=CCN2)n1 ZINC001248227848 989086977 /nfs/dbraw/zinc/08/69/77/989086977.db2.gz HGVXIIKZLMHGDQ-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN CC(C)(CNc1nccnc1CN)C1CCC1 ZINC001515788050 989115502 /nfs/dbraw/zinc/11/55/02/989115502.db2.gz ZOPKTLCFUACBPG-UHFFFAOYSA-N 0 1 234.347 2.174 20 0 BEADMN CCN(CCC1CC1)CN1CC2(CC2)CC1=O ZINC001325214366 989121798 /nfs/dbraw/zinc/12/17/98/989121798.db2.gz IBWPFEFEOOLSBD-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN Cc1noc2ccc(C[N@H+]3CC[C@](C)(O)C3)cc12 ZINC001248690629 989123899 /nfs/dbraw/zinc/12/38/99/989123899.db2.gz MUKUUHYKWNJQJS-AWEZNQCLSA-N 0 1 246.310 2.093 20 0 BEADMN Cn1cncc1Nc1cc2cccnc2[nH]1 ZINC001248703595 989131965 /nfs/dbraw/zinc/13/19/65/989131965.db2.gz XNKMKSSZFFWQCM-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ccc(-c2noc([C@@]3(C)CCN3)n2)cc1F ZINC001248721405 989136868 /nfs/dbraw/zinc/13/68/68/989136868.db2.gz HSXGXMFNQXIQRJ-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cn[nH]c1CSCC[C@@H]1CCOC1 ZINC001119539028 989141559 /nfs/dbraw/zinc/14/15/59/989141559.db2.gz LRZWTCLVHSWKCA-JTQLQIEISA-N 0 1 226.345 2.378 20 0 BEADMN COc1ccc(CN(C)C2CC2)c(F)c1OC ZINC001248753487 989144602 /nfs/dbraw/zinc/14/46/02/989144602.db2.gz JDKDIPRXSQMFAY-UHFFFAOYSA-N 0 1 239.290 2.437 20 0 BEADMN Cn1c(CN2CC3(C2)CCCCC3)cccc1=O ZINC001248808484 989166085 /nfs/dbraw/zinc/16/60/85/989166085.db2.gz HUYSKXQUXLQLAJ-UHFFFAOYSA-N 0 1 246.354 2.151 20 0 BEADMN c1cc2n(c1C[N@H+]1CC[C@@H]3CCO[C@H]3C1)CCC2 ZINC001248821931 989184255 /nfs/dbraw/zinc/18/42/55/989184255.db2.gz RTGGFHNMHNDGNC-DOMZBBRYSA-N 0 1 246.354 2.045 20 0 BEADMN Cc1ccc2nc(CN(C)CCF)[nH]c2c1 ZINC001248843878 989187834 /nfs/dbraw/zinc/18/78/34/989187834.db2.gz DTQZWDTYZGZLBR-UHFFFAOYSA-N 0 1 221.279 2.273 20 0 BEADMN Cc1ccc2nc(CN(C)[C@H]3CCOC3)[nH]c2c1 ZINC001248842191 989190513 /nfs/dbraw/zinc/19/05/13/989190513.db2.gz JXQYLBXVZJBGAQ-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN COCCN(C)Cc1ccc(Cl)c(C)n1 ZINC001248868519 989204829 /nfs/dbraw/zinc/20/48/29/989204829.db2.gz KPMYLBQELMEYCA-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN Cc1ccc2nc(CN3CC[C@H](F)C3)[nH]c2c1 ZINC001248840003 989193066 /nfs/dbraw/zinc/19/30/66/989193066.db2.gz FUGGTQDDQPCRPJ-JTQLQIEISA-N 0 1 233.290 2.415 20 0 BEADMN Cc1nonc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001248856903 989198913 /nfs/dbraw/zinc/19/89/13/989198913.db2.gz BIUSJIZXUIYFQJ-MNOVXSKESA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001248856903 989198919 /nfs/dbraw/zinc/19/89/19/989198919.db2.gz BIUSJIZXUIYFQJ-MNOVXSKESA-N 0 1 221.304 2.000 20 0 BEADMN CCN(Cc1nc(C)cc(C)n1)C(C)C ZINC001248933314 989221227 /nfs/dbraw/zinc/22/12/27/989221227.db2.gz XZTZITNIZQRFPO-UHFFFAOYSA-N 0 1 207.321 2.324 20 0 BEADMN CC1CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC001119605910 989226963 /nfs/dbraw/zinc/22/69/63/989226963.db2.gz DGAPWOJNIFXCTR-QEWOUOOISA-N 0 1 217.316 2.316 20 0 BEADMN CC[C@H](C)N(C)Cc1nc(C)cc(C)n1 ZINC001248939792 989228266 /nfs/dbraw/zinc/22/82/66/989228266.db2.gz LHBXPGZXNNGIRD-NSHDSACASA-N 0 1 207.321 2.324 20 0 BEADMN Cc1cc(C)nc(CN(C)C2CCCC2)n1 ZINC001248965938 989232628 /nfs/dbraw/zinc/23/26/28/989232628.db2.gz PGZLCVFVVTVQCY-UHFFFAOYSA-N 0 1 219.332 2.468 20 0 BEADMN CCCCNCc1nc(-c2cnccc2C)no1 ZINC001249025496 989236256 /nfs/dbraw/zinc/23/62/56/989236256.db2.gz HGQVBFUHDFCOQO-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CN[C@H](c1nc(-c2ccnc(C)c2)no1)C(C)C ZINC001248999729 989237008 /nfs/dbraw/zinc/23/70/08/989237008.db2.gz ICRVUZSEKCQXLD-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@H](c1nc(-c2cccnc2C)no1)C(C)C ZINC001249000324 989238997 /nfs/dbraw/zinc/23/89/97/989238997.db2.gz SJDQXNKKKVHUJY-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CCCNCc1nc(-c2cnc(C)c(C)c2)no1 ZINC001249021818 989239702 /nfs/dbraw/zinc/23/97/02/989239702.db2.gz FLFMQLJYDFIPEM-UHFFFAOYSA-N 0 1 246.314 2.248 20 0 BEADMN CN[C@H](c1nc(-c2cnccc2C)no1)C(C)C ZINC001248999564 989240112 /nfs/dbraw/zinc/24/01/12/989240112.db2.gz GBEQICXQKRRGGE-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CN[C@H](c1nc(-c2ccccn2)no1)C(C)C ZINC001249000332 989240279 /nfs/dbraw/zinc/24/02/79/989240279.db2.gz STMINXRRJJBKOL-JTQLQIEISA-N 0 1 232.287 2.048 20 0 BEADMN CCCCNCc1nc(-c2ncccc2C)no1 ZINC001249025521 989241649 /nfs/dbraw/zinc/24/16/49/989241649.db2.gz HZVHEFOAUQGZAH-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CC(C)c1ocnc1CN[C@@H](CCO)C1CC1 ZINC001325723546 989242431 /nfs/dbraw/zinc/24/24/31/989242431.db2.gz XTPOUUMSTHRPNA-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN Cc1ccnc(-c2noc([C@@](C)(N)C(C)C)n2)c1 ZINC001249280148 989268044 /nfs/dbraw/zinc/26/80/44/989268044.db2.gz PRQAYGBXPRMFBQ-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1ccncc1-c1noc([C@](C)(N)C(C)C)n1 ZINC001249280340 989270746 /nfs/dbraw/zinc/27/07/46/989270746.db2.gz AOOJURZDTLPTBS-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN COc1ccc2nc(CN3CCCCO3)[nH]c2c1 ZINC001249410885 989274273 /nfs/dbraw/zinc/27/42/73/989274273.db2.gz IJKPLFNICIRGAK-UHFFFAOYSA-N 0 1 247.298 2.099 20 0 BEADMN CCN(C)Cc1c(C)nnn1-c1ccc(F)cc1 ZINC001249447210 989282953 /nfs/dbraw/zinc/28/29/53/989282953.db2.gz VGTDMJGJPULTDV-UHFFFAOYSA-N 0 1 248.305 2.167 20 0 BEADMN Cc1cc(CN2CCC[C@H]2C(C)(C)O)ns1 ZINC001249588655 989315518 /nfs/dbraw/zinc/31/55/18/989315518.db2.gz KXWIIGQDWSUZOY-NSHDSACASA-N 0 1 240.372 2.187 20 0 BEADMN C[C@H](C[N@H+]1CC=CCC1)C(=O)c1ccc([O-])cc1 ZINC001119702331 989348085 /nfs/dbraw/zinc/34/80/85/989348085.db2.gz OKMIJEKZNLURKN-GFCCVEGCSA-N 0 1 245.322 2.473 20 0 BEADMN C[C@H](C[N@@H+]1CC=CCC1)C(=O)c1ccc([O-])cc1 ZINC001119702331 989348091 /nfs/dbraw/zinc/34/80/91/989348091.db2.gz OKMIJEKZNLURKN-GFCCVEGCSA-N 0 1 245.322 2.473 20 0 BEADMN Cc1nnc([C@@H](C)NCCCc2cccnc2)o1 ZINC001119814678 989422834 /nfs/dbraw/zinc/42/28/34/989422834.db2.gz WBXDPLOJILXXTI-SNVBAGLBSA-N 0 1 246.314 2.056 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001519560546 989431263 /nfs/dbraw/zinc/43/12/63/989431263.db2.gz OYTZLQAAYGZVMF-RITPCOANSA-N 0 1 248.204 2.128 20 0 BEADMN CC[C@@H](F)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC001519593094 989434756 /nfs/dbraw/zinc/43/47/56/989434756.db2.gz SJGPEHZITYAWEE-SECBINFHSA-N 0 1 226.251 2.078 20 0 BEADMN CC[C@@H](C)CNCc1nc(C(F)F)no1 ZINC001119975497 989534588 /nfs/dbraw/zinc/53/45/88/989534588.db2.gz WMWJQJAHTSWCLH-ZCFIWIBFSA-N 0 1 219.235 2.143 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001120018114 989568311 /nfs/dbraw/zinc/56/83/11/989568311.db2.gz MNUBDTXENDWXNH-FZMZJTMJSA-N 0 1 247.338 2.231 20 0 BEADMN CC(C)c1nnc(CNC2CC=CC2)s1 ZINC001120051726 989579876 /nfs/dbraw/zinc/57/98/76/989579876.db2.gz UNCZUWZGJLYSDI-UHFFFAOYSA-N 0 1 223.345 2.470 20 0 BEADMN Cc1nnc(S[C@@H](C)c2snnc2C)[nH]1 ZINC001120252223 989615536 /nfs/dbraw/zinc/61/55/36/989615536.db2.gz QNPBGJIMPNPBPZ-YFKPBYRVSA-N 0 1 241.345 2.126 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)c2snnc2C)n1 ZINC001120252223 989615547 /nfs/dbraw/zinc/61/55/47/989615547.db2.gz QNPBGJIMPNPBPZ-YFKPBYRVSA-N 0 1 241.345 2.126 20 0 BEADMN CC(C)ONC(=O)[C@@H](C)c1ccccc1F ZINC001326702230 989646551 /nfs/dbraw/zinc/64/65/51/989646551.db2.gz SVHCGXZJKIHSHQ-VIFPVBQESA-N 0 1 225.263 2.385 20 0 BEADMN Cc1cc(CN2CC(C)(CC(F)(F)F)C2)n[nH]1 ZINC001326796805 989720158 /nfs/dbraw/zinc/72/01/58/989720158.db2.gz JJYVGTOSNYWUKM-UHFFFAOYSA-N 0 1 247.264 2.492 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CC23CCCC3)c1C ZINC001521893904 989813493 /nfs/dbraw/zinc/81/34/93/989813493.db2.gz OGQMSKBZNFUAJZ-LLVKDONJSA-N 0 1 247.342 2.223 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@]2(C)CCC[C@@H]2C)c1C ZINC001521892541 989814510 /nfs/dbraw/zinc/81/45/10/989814510.db2.gz DGFDVEUQZIVREN-LKFCYVNXSA-N 0 1 249.358 2.469 20 0 BEADMN CC[C@@H](F)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC001120668595 989823081 /nfs/dbraw/zinc/82/30/81/989823081.db2.gz KOWIYZLEHFEKGY-LLVKDONJSA-N 0 1 244.354 2.067 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001120687869 989831333 /nfs/dbraw/zinc/83/13/33/989831333.db2.gz VUBGWYRCWBBRNE-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cnoc1C(C)C ZINC001120773212 989873395 /nfs/dbraw/zinc/87/33/95/989873395.db2.gz SVZYFIUVSDXZGK-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CCN1CCN(c2cc(Cl)ccn2)C[C@H]1C ZINC001120828320 989908128 /nfs/dbraw/zinc/90/81/28/989908128.db2.gz OQJWMMVKDITXJM-SNVBAGLBSA-N 0 1 239.750 2.265 20 0 BEADMN NCc1nccnc1NCC1CCCCCC1 ZINC001120854734 989925731 /nfs/dbraw/zinc/92/57/31/989925731.db2.gz ALINDBWFLHOQME-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN CC(C)(C)CCCNc1nccnc1CN ZINC001120899395 989954915 /nfs/dbraw/zinc/95/49/15/989954915.db2.gz PKZAMWMWPIMLLJ-UHFFFAOYSA-N 0 1 222.336 2.174 20 0 BEADMN C[C@@H](Nc1nccnc1CN)c1ccsc1 ZINC001120932271 989975785 /nfs/dbraw/zinc/97/57/85/989975785.db2.gz CVBPCJCOKBLGFG-MRVPVSSYSA-N 0 1 234.328 2.170 20 0 BEADMN C/C=C/C=C/C(=O)NCc1ccc2cncn2c1 ZINC001524860675 990017922 /nfs/dbraw/zinc/01/79/22/990017922.db2.gz AQDHOYDIWZOEKH-MQQKCMAXSA-N 0 1 241.294 2.083 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604473997 990086809 /nfs/dbraw/zinc/08/68/09/990086809.db2.gz PFQIHSOYDXBBSV-DMDPSCGWSA-N 0 1 248.326 2.185 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC1(Cl)Cl ZINC001122770261 990445287 /nfs/dbraw/zinc/44/52/87/990445287.db2.gz CHIZUZLAWZRKLT-LURJTMIESA-N 0 1 249.097 2.069 20 0 BEADMN CCCc1ccccc1C(=O)OCc1c[nH]nn1 ZINC001122915104 990462803 /nfs/dbraw/zinc/46/28/03/990462803.db2.gz INRVAKFQRTWTAA-UHFFFAOYSA-N 0 1 245.282 2.114 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C1CC1)C1CCC1 ZINC001122969291 990475573 /nfs/dbraw/zinc/47/55/73/990475573.db2.gz DGZYIQYCXMDYIR-LBPRGKRZSA-N 0 1 234.299 2.454 20 0 BEADMN CCCC(=O)OCc1nc[nH]c1C(F)(F)F ZINC001123143393 990519407 /nfs/dbraw/zinc/51/94/07/990519407.db2.gz KHRWNNSKORUFGO-UHFFFAOYSA-N 0 1 236.193 2.272 20 0 BEADMN Cc1ccccc1[C@@H](C)C(=O)OCCN1CCC1 ZINC001123148875 990519623 /nfs/dbraw/zinc/51/96/23/990519623.db2.gz OCDSGRZOOCWZQL-CYBMUJFWSA-N 0 1 247.338 2.347 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC001540321012 990604974 /nfs/dbraw/zinc/60/49/74/990604974.db2.gz WUQYBOPWTXYRHU-PHIMTYICSA-N 0 1 249.358 2.155 20 0 BEADMN CC(C)CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001540354761 990608472 /nfs/dbraw/zinc/60/84/72/990608472.db2.gz IXNJQXCQIBYASM-SNVBAGLBSA-N 0 1 249.358 2.310 20 0 BEADMN O=C(Nc1ccccc1)c1cncc2nc[nH]c21 ZINC001540359986 990608801 /nfs/dbraw/zinc/60/88/01/990608801.db2.gz WYSFMFIXDKTHNF-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(F)cc2)[nH]1 ZINC001540402289 990615364 /nfs/dbraw/zinc/61/53/64/990615364.db2.gz DIHVBGHDXCBOTI-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CN(CC1CC1)C(=O)c1c2[nH]cnc2ccc1F ZINC001543233518 990686745 /nfs/dbraw/zinc/68/67/45/990686745.db2.gz NSAUNCRKYDOTQV-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN C=C=CCNC(=O)c1ccc(Cl)c(O)c1 ZINC001556750992 990850374 /nfs/dbraw/zinc/85/03/74/990850374.db2.gz DQUCYDBGXBNHCB-UHFFFAOYSA-N 0 1 223.659 2.117 20 0 BEADMN Cc1cccc(C)c1CN1CC(N2CC(F)C2)C1 ZINC001137846700 990860024 /nfs/dbraw/zinc/86/00/24/990860024.db2.gz RWWPSQBWQPORRD-UHFFFAOYSA-N 0 1 248.345 2.141 20 0 BEADMN Cc1ccc(CN2CC[C@H](CO)C2)c(F)c1F ZINC001137968783 990872837 /nfs/dbraw/zinc/87/28/37/990872837.db2.gz RYKUYKJYIZYLBQ-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H]1c1ccc(F)cc1 ZINC001557410058 990889128 /nfs/dbraw/zinc/88/91/28/990889128.db2.gz CDOONFGNKJPMDM-LBPRGKRZSA-N 0 1 245.257 2.136 20 0 BEADMN CC(C)CCCCNC(=O)C1(N(C)C)CC1 ZINC001565877320 990893625 /nfs/dbraw/zinc/89/36/25/990893625.db2.gz MPEZJTPFAKGZNY-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)Nc1ccccc1N1CCN(C)CC1 ZINC001308360871 990974453 /nfs/dbraw/zinc/97/44/53/990974453.db2.gz RWJSJTQUMWLPGR-UHFFFAOYSA-N 0 1 233.359 2.259 20 0 BEADMN C[C@@H]1CCN1Cc1c[nH]nc1C(C)(C)C ZINC001138575612 990975200 /nfs/dbraw/zinc/97/52/00/990975200.db2.gz VEBIAUODTWSOMJ-SECBINFHSA-N 0 1 207.321 2.301 20 0 BEADMN C/C=C(/C)C(=O)Nc1ccc2cncn2c1 ZINC001558590614 990976354 /nfs/dbraw/zinc/97/63/54/990976354.db2.gz TTZZEUNVHMBCBE-OQFOIZHKSA-N 0 1 215.256 2.239 20 0 BEADMN c1cnc(Oc2cccc(CN3CCC3)c2)nc1 ZINC001138616955 990979985 /nfs/dbraw/zinc/97/99/85/990979985.db2.gz HHUIJNROVOJIIN-UHFFFAOYSA-N 0 1 241.294 2.475 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC[C@@H](F)C2)n1 ZINC001308448098 990998074 /nfs/dbraw/zinc/99/80/74/990998074.db2.gz WYZBGGVMCYQXLP-BDAKNGLRSA-N 0 1 245.729 2.444 20 0 BEADMN Cn1cc(NCc2cnc[nH]2)c(-c2ccco2)n1 ZINC001308469577 991001559 /nfs/dbraw/zinc/00/15/59/991001559.db2.gz QXJBDZYBNMABEZ-UHFFFAOYSA-N 0 1 243.270 2.015 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCN(C#N)CC1 ZINC001258097183 991003559 /nfs/dbraw/zinc/00/35/59/991003559.db2.gz GQUGZPKCCLPTEF-ZDUSSCGKSA-N 0 1 221.348 2.220 20 0 BEADMN CNc1ncccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001138695098 991004425 /nfs/dbraw/zinc/00/44/25/991004425.db2.gz WIYCBXDTAAHVHB-PWSUYJOCSA-N 0 1 217.316 2.108 20 0 BEADMN CCC[C@@H](CNCc1ccn(CC)n1)OCC ZINC001308475497 991006968 /nfs/dbraw/zinc/00/69/68/991006968.db2.gz NAOKBAVTFUXMLM-ZDUSSCGKSA-N 0 1 239.363 2.198 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCN(C#N)CC1 ZINC001258097182 991007544 /nfs/dbraw/zinc/00/75/44/991007544.db2.gz GQUGZPKCCLPTEF-CYBMUJFWSA-N 0 1 221.348 2.220 20 0 BEADMN CC(C)=CCC[C@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001258096302 991007723 /nfs/dbraw/zinc/00/77/23/991007723.db2.gz MTLNQNUODYRGEG-STQMWFEESA-N 0 1 238.375 2.284 20 0 BEADMN CCOC(=O)CCC[C@@H](C)NCC(C)(F)F ZINC001258100916 991010015 /nfs/dbraw/zinc/01/00/15/991010015.db2.gz KLFCYIOEBJEWPE-SECBINFHSA-N 0 1 237.290 2.353 20 0 BEADMN CCCCCC(=O)N1CCN(C2CC2)C[C@H]1C ZINC001558997852 991020675 /nfs/dbraw/zinc/02/06/75/991020675.db2.gz ALBYPSAFFYZFLL-GFCCVEGCSA-N 0 1 238.375 2.262 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1C[C@@H](C)C[C@H](C)C1 ZINC001258156787 991026860 /nfs/dbraw/zinc/02/68/60/991026860.db2.gz RWBQQUOXHZKOJM-RYUDHWBXSA-N 0 1 211.373 2.296 20 0 BEADMN CO[C@@H](C)CN(Cc1ncccc1F)C(C)C ZINC001308566728 991041548 /nfs/dbraw/zinc/04/15/48/991041548.db2.gz GEJCFVDIAZBIJR-NSHDSACASA-N 0 1 240.322 2.466 20 0 BEADMN c1nnc(CNCc2ccc(C3CCC3)cc2)[nH]1 ZINC001308559302 991041716 /nfs/dbraw/zinc/04/17/16/991041716.db2.gz XZPVNQIETZDVAO-UHFFFAOYSA-N 0 1 242.326 2.362 20 0 BEADMN CC[C@H]1CCN(Cc2ncccc2F)C1 ZINC001308582852 991045603 /nfs/dbraw/zinc/04/56/03/991045603.db2.gz LJYIXNBMZNFKHJ-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CCCN(Cc2cccnc2F)C1 ZINC001138784651 991045800 /nfs/dbraw/zinc/04/58/00/991045800.db2.gz ISFHUTBFYITITM-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN CC[C@@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001308581898 991049877 /nfs/dbraw/zinc/04/98/77/991049877.db2.gz GHHYXEPINKUGEM-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN CO[C@@H]1CCN(Cc2cccnc2F)[C@H](C)C1 ZINC001138791411 991050942 /nfs/dbraw/zinc/05/09/42/991050942.db2.gz CLTWMYPUBBOQJL-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1nnc(CN)n1[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258164113 991051335 /nfs/dbraw/zinc/05/13/35/991051335.db2.gz PVJMIBCRFPNYOC-JZYVYDRUSA-N 0 1 222.336 2.042 20 0 BEADMN CC1(C)CCN(Cc2cccnc2F)C1 ZINC001138789035 991053020 /nfs/dbraw/zinc/05/30/20/991053020.db2.gz QOLQJUHTAAGOJS-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2ccnn21 ZINC001138805282 991065112 /nfs/dbraw/zinc/06/51/12/991065112.db2.gz CVXNSGXNXBPTBG-LEWSCRJBSA-N 0 1 245.301 2.267 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cccc2ccnn21 ZINC001138805282 991065124 /nfs/dbraw/zinc/06/51/24/991065124.db2.gz CVXNSGXNXBPTBG-LEWSCRJBSA-N 0 1 245.301 2.267 20 0 BEADMN c1cc2cccc(CN3CCC[C@H]4C[C@H]43)n2n1 ZINC001138807327 991065293 /nfs/dbraw/zinc/06/52/93/991065293.db2.gz HAOPDJBUWROZQN-SMDDNHRTSA-N 0 1 227.311 2.319 20 0 BEADMN c1nnc(CSCc2ccccc2)[nH]1 ZINC001559352861 991076055 /nfs/dbraw/zinc/07/60/55/991076055.db2.gz GLRHWERLWYJXKS-UHFFFAOYSA-N 0 1 205.286 2.238 20 0 BEADMN CC(C)COC1CN(C[C@@H]2CCSC2)C1 ZINC001308644643 991078461 /nfs/dbraw/zinc/07/84/61/991078461.db2.gz ZSZMSJSXNLUSNT-NSHDSACASA-N 0 1 229.389 2.096 20 0 BEADMN OCC1(NCc2ncccc2F)CCCCC1 ZINC001308672448 991092054 /nfs/dbraw/zinc/09/20/54/991092054.db2.gz JUMOOXMFMUMHLV-UHFFFAOYSA-N 0 1 238.306 2.006 20 0 BEADMN C[C@@H](CC(F)(F)F)NCc1cccnc1N ZINC001308668757 991092821 /nfs/dbraw/zinc/09/28/21/991092821.db2.gz PXANBLRMNMCHLH-ZETCQYMHSA-N 0 1 233.237 2.094 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1nc(C)c[nH]1 ZINC001138940734 991109267 /nfs/dbraw/zinc/10/92/67/991109267.db2.gz RSANQSVRAUAORC-NSHDSACASA-N 0 1 237.347 2.108 20 0 BEADMN Cc1c[nH]c(CN(CCCCCO)C(C)C)n1 ZINC001138942588 991109983 /nfs/dbraw/zinc/10/99/83/991109983.db2.gz MIPZNIRTKCSSCJ-UHFFFAOYSA-N 0 1 239.363 2.091 20 0 BEADMN Cc1c[nH]c(CN2CC3CCC2CC3)n1 ZINC001138939551 991110217 /nfs/dbraw/zinc/11/02/17/991110217.db2.gz NQUUJRHMDWHZPB-UHFFFAOYSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1c[nH]c(CN2CC3CCC(CC3)C2)n1 ZINC001138938460 991110599 /nfs/dbraw/zinc/11/05/99/991110599.db2.gz QAWWVOVNFMOHFL-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN CC(C)(O)C(C)(C)CNCc1ncccc1F ZINC001308763958 991122329 /nfs/dbraw/zinc/12/23/29/991122329.db2.gz ABSFUNBXZWQLRV-UHFFFAOYSA-N 0 1 240.322 2.107 20 0 BEADMN CCOc1cc(CN2CCC2)ccc1OC(C)=O ZINC001139000578 991123435 /nfs/dbraw/zinc/12/34/35/991123435.db2.gz YKSBVKAFCTVADN-UHFFFAOYSA-N 0 1 249.310 2.216 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](C(C)=O)C2)cn1 ZINC001139039861 991126283 /nfs/dbraw/zinc/12/62/83/991126283.db2.gz CJVDSSYXUGZXSS-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001308773022 991128832 /nfs/dbraw/zinc/12/88/32/991128832.db2.gz CNAAAGCBPZEFRJ-ATZCPNFKSA-N 0 1 239.750 2.352 20 0 BEADMN CCCOC1CN([C@@H](C)CCSC)C1 ZINC001258219895 991144909 /nfs/dbraw/zinc/14/49/09/991144909.db2.gz MGIDMXVEGYRJRA-JTQLQIEISA-N 0 1 217.378 2.239 20 0 BEADMN C[C@@]1(F)CCCCN(Cc2cnc(N)s2)C1 ZINC001139225554 991192746 /nfs/dbraw/zinc/19/27/46/991192746.db2.gz BTDCHBDIIXKMHO-LLVKDONJSA-N 0 1 243.351 2.439 20 0 BEADMN Cc1nnc(CN)n1[C@H]1CCCC(C)(C)C1 ZINC001258283666 991216038 /nfs/dbraw/zinc/21/60/38/991216038.db2.gz OCVODYDPRUJQMV-JTQLQIEISA-N 0 1 222.336 2.187 20 0 BEADMN CC(=O)OC1CN([C@@H]2CCCC(C)(C)C2)C1 ZINC001258287780 991219593 /nfs/dbraw/zinc/21/95/93/991219593.db2.gz CTDNMWDEDVLRND-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1csnn1 ZINC001559737628 991234566 /nfs/dbraw/zinc/23/45/66/991234566.db2.gz KYSCITVGRLZAKI-GUBZILKMSA-N 0 1 241.360 2.004 20 0 BEADMN CN(Cc1ccc(=O)[nH]c1)C1CC(F)(F)C1 ZINC001139463624 991249407 /nfs/dbraw/zinc/24/94/07/991249407.db2.gz GMOWTTUHHMJOQA-UHFFFAOYSA-N 0 1 228.242 2.017 20 0 BEADMN CSC(C)(C)C[C@H](C)NCc1nnc(C)o1 ZINC001258326085 991250592 /nfs/dbraw/zinc/25/05/92/991250592.db2.gz DHZBGEIISKUICP-QMMMGPOBSA-N 0 1 243.376 2.388 20 0 BEADMN CON1CCN(Cc2ccccc2C(C)C)CC1 ZINC001559834685 991277118 /nfs/dbraw/zinc/27/71/18/991277118.db2.gz NQRIRKPOBJOPFV-UHFFFAOYSA-N 0 1 248.370 2.489 20 0 BEADMN Fc1cccc2nc(CN3CC4CC(C4)C3)cn21 ZINC001139572686 991279453 /nfs/dbraw/zinc/27/94/53/991279453.db2.gz YPJZLQYMYNDHNW-UHFFFAOYSA-N 0 1 245.301 2.315 20 0 BEADMN COc1ccncc1CN1CC[C@@](C)(CF)C1 ZINC001139606969 991286146 /nfs/dbraw/zinc/28/61/46/991286146.db2.gz WLCDFDNKNAHLTN-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN c1c(CN2CCC3(CCC3)C2)nc2cnccn12 ZINC001139698951 991323803 /nfs/dbraw/zinc/32/38/03/991323803.db2.gz HYCSWHHQBJSRSN-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN C[C@@H]1CCCN(Cc2cnc3c(c2)OCCO3)C1 ZINC001139730520 991344805 /nfs/dbraw/zinc/34/48/05/991344805.db2.gz BHHKTJHXZCGSPQ-LLVKDONJSA-N 0 1 248.326 2.085 20 0 BEADMN CC[C@@H](C)[C@H](C)N1CCn2nccc2C1 ZINC001560025970 991360519 /nfs/dbraw/zinc/36/05/19/991360519.db2.gz MCLPRHOIZQCBPK-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)s1 ZINC001139808919 991378457 /nfs/dbraw/zinc/37/84/57/991378457.db2.gz HMBYOUPEQHNDSU-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@@H]2CO)s1 ZINC001139808919 991378463 /nfs/dbraw/zinc/37/84/63/991378463.db2.gz HMBYOUPEQHNDSU-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN COc1ncc(CN2CCC[C@@H](F)CC2)s1 ZINC001139815070 991379859 /nfs/dbraw/zinc/37/98/59/991379859.db2.gz USWVRVOJIGCTPJ-SECBINFHSA-N 0 1 244.335 2.476 20 0 BEADMN CCCCC[C@@H](CC)N(C)CC(=O)OC ZINC001258442088 991380929 /nfs/dbraw/zinc/38/09/29/991380929.db2.gz CGGHAUPEANMEBY-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN Cc1cccc([C@H]2CCN(Cc3nnc[nH]3)C2)c1 ZINC001328392964 991387805 /nfs/dbraw/zinc/38/78/05/991387805.db2.gz CHOVYWVYIXNNLY-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN C[C@@H](CC1CC1)NCc1nccnc1Cl ZINC001258447553 991393153 /nfs/dbraw/zinc/39/31/53/991393153.db2.gz SWYQDMHXKMTHIZ-QMMMGPOBSA-N 0 1 225.723 2.408 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)nc1 ZINC001139839223 991393977 /nfs/dbraw/zinc/39/39/77/991393977.db2.gz AQYMASCOCUAPGP-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccnc(F)c3)C[C@@H]12 ZINC001139837464 991395602 /nfs/dbraw/zinc/39/56/02/991395602.db2.gz DMTOILNRNDEJMU-VXGBXAGGSA-N 0 1 248.301 2.022 20 0 BEADMN c1ccc(CCN(CC2=NOCC2)C2CC2)cc1 ZINC001560166719 991397613 /nfs/dbraw/zinc/39/76/13/991397613.db2.gz FYKCVBLRKRYOFZ-UHFFFAOYSA-N 0 1 244.338 2.470 20 0 BEADMN Cc1cc(CN2CCC[C@H](OC3CCC3)C2)n[nH]1 ZINC001329170656 991408839 /nfs/dbraw/zinc/40/88/39/991408839.db2.gz ZSQGXIRSXBAXEF-AWEZNQCLSA-N 0 1 249.358 2.252 20 0 BEADMN Cn1cc(CN2CCC[C@@H](C3CCCC3)C2)nn1 ZINC001560225929 991428054 /nfs/dbraw/zinc/42/80/54/991428054.db2.gz GVWWVDZOXKAUOF-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN Cn1cnnc1CN1CCC[C@@H](C2CCCC2)C1 ZINC001560228232 991432442 /nfs/dbraw/zinc/43/24/42/991432442.db2.gz YXUKQECDBUQPPP-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN FC1CC2(C1)CCN(Cc1cccnn1)CC2 ZINC001139969009 991434275 /nfs/dbraw/zinc/43/42/75/991434275.db2.gz IEFMWWOYTSDFNQ-UHFFFAOYSA-N 0 1 235.306 2.191 20 0 BEADMN Cc1cc(CNCc2ccc3c(c2)CCC3)[nH]n1 ZINC001560269272 991445702 /nfs/dbraw/zinc/44/57/02/991445702.db2.gz VSHYQKOBBMMTIP-UHFFFAOYSA-N 0 1 241.338 2.497 20 0 BEADMN CCOC(=O)CC[C@@H](C)N[C@@H](C)c1ccno1 ZINC001258486725 991458698 /nfs/dbraw/zinc/45/86/98/991458698.db2.gz LPEYZYFVKCXQAY-ZJUUUORDSA-N 0 1 240.303 2.057 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001258491835 991463908 /nfs/dbraw/zinc/46/39/08/991463908.db2.gz ODFWPGAOPVPTKO-RHYQMDGZSA-N 0 1 243.322 2.008 20 0 BEADMN C[C@@H](NCc1cnsc1)c1ccc[nH]1 ZINC001560427815 991472202 /nfs/dbraw/zinc/47/22/02/991472202.db2.gz OYEADGOPWSXBJN-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1cc(CNCc2cccc(F)c2N)ccn1 ZINC001560479865 991482574 /nfs/dbraw/zinc/48/25/74/991482574.db2.gz FUGXEKQCVVVVHN-UHFFFAOYSA-N 0 1 245.301 2.401 20 0 BEADMN CCCn1cc(CN[C@@H](C)CF)c(C)n1 ZINC001560487307 991487090 /nfs/dbraw/zinc/48/70/90/991487090.db2.gz IISHHSUBZNENTP-VIFPVBQESA-N 0 1 213.300 2.049 20 0 BEADMN CC1(C)CC[C@@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258595852 991489045 /nfs/dbraw/zinc/48/90/45/991489045.db2.gz NDJAILHDWZMFPS-SNVBAGLBSA-N 0 1 249.291 2.113 20 0 BEADMN CSc1nccc(CN2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001140035066 991489320 /nfs/dbraw/zinc/48/93/20/991489320.db2.gz FQTPATWEMDIWLY-PHIMTYICSA-N 0 1 249.383 2.286 20 0 BEADMN CC1(C)CC[C@H](N[C@H]2CCSC2=O)C1 ZINC001258594452 991492309 /nfs/dbraw/zinc/49/23/09/991492309.db2.gz IPMQLTVMOGBJAO-IUCAKERBSA-N 0 1 213.346 2.187 20 0 BEADMN C[C@H]1CCN(Cc2cc(O)ccc2F)C1 ZINC001140045056 991496798 /nfs/dbraw/zinc/49/67/98/991496798.db2.gz BBRAGJYQOQSHGU-VIFPVBQESA-N 0 1 209.264 2.373 20 0 BEADMN CCn1ccc(CNC[C@]2(C)CC2(F)F)n1 ZINC001560536617 991497753 /nfs/dbraw/zinc/49/77/53/991497753.db2.gz PRRJGAIESDNFMZ-JTQLQIEISA-N 0 1 229.274 2.038 20 0 BEADMN Oc1ccc(F)c(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001140048042 991498324 /nfs/dbraw/zinc/49/83/24/991498324.db2.gz SBKZWGMFPDPQTE-GMOODISLSA-N 0 1 239.265 2.464 20 0 BEADMN CCn1ccc(CNC[C@H]2CCC3(CCC3)O2)n1 ZINC001560569467 991504477 /nfs/dbraw/zinc/50/44/77/991504477.db2.gz WCFNIFFVZVNPDY-CYBMUJFWSA-N 0 1 249.358 2.094 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC001140082751 991513463 /nfs/dbraw/zinc/51/34/63/991513463.db2.gz ZGTSFZHHISZFCN-AOOOYVTPSA-N 0 1 223.703 2.497 20 0 BEADMN c1nscc1CNC1([C@H]2CCCCO2)CC1 ZINC001560600370 991513293 /nfs/dbraw/zinc/51/32/93/991513293.db2.gz HUVJTWHBWSWALI-LLVKDONJSA-N 0 1 238.356 2.334 20 0 BEADMN Cc1nc(CN[C@@H](C)Cc2cccnc2)c(C)o1 ZINC001258608506 991524259 /nfs/dbraw/zinc/52/42/59/991524259.db2.gz AOVXEKYHTGBXQK-JTQLQIEISA-N 0 1 245.326 2.407 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c(F)c1 ZINC001140127498 991526500 /nfs/dbraw/zinc/52/65/00/991526500.db2.gz WULSHUAKEVYUFM-JBLDHEPKSA-N 0 1 239.265 2.464 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CC[C@@H](F)C1 ZINC001258622293 991544990 /nfs/dbraw/zinc/54/49/90/991544990.db2.gz JZGVQBIHSHWKCZ-CMPLNLGQSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCC[C@@H](F)C1 ZINC001258627114 991563384 /nfs/dbraw/zinc/56/33/84/991563384.db2.gz HZJAEWYHWBNXPX-WCQYABFASA-N 0 1 222.307 2.447 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCOC[C@@H]1C1CC1 ZINC001258635150 991575299 /nfs/dbraw/zinc/57/52/99/991575299.db2.gz XPVCFSOBUMOQBW-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCOC[C@@H]1C1CC1 ZINC001258635149 991575751 /nfs/dbraw/zinc/57/57/51/991575751.db2.gz XPVCFSOBUMOQBW-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN CC(C)n1cc2c(n1)[C@H](N[C@H]1CCOC1)CCC2 ZINC001560734476 991578179 /nfs/dbraw/zinc/57/81/79/991578179.db2.gz MLHMGDFSSYVHLW-QWHCGFSZSA-N 0 1 249.358 2.220 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCCC[C@H]3C2)o1 ZINC001317723039 991578387 /nfs/dbraw/zinc/57/83/87/991578387.db2.gz AYHDJNYACWEERH-RYUDHWBXSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)NC(=O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317727482 991578761 /nfs/dbraw/zinc/57/87/61/991578761.db2.gz BEBOLLPULJADEI-OLZOCXBDSA-N 0 1 238.375 2.023 20 0 BEADMN C[N@H+](Cc1ccncc1[O-])CC1CCCC1 ZINC001140276907 991586030 /nfs/dbraw/zinc/58/60/30/991586030.db2.gz NQUZKPAHKDBKFV-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN Cc1cc(CN2CCOCC3(CC3)C2)cc(C)n1 ZINC001560751649 991588816 /nfs/dbraw/zinc/58/88/16/991588816.db2.gz RJGDFVZRKVTVEP-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CC[C@H]1CCN(Cc2nc(CO)cs2)[C@@H]1C ZINC001560772862 991594158 /nfs/dbraw/zinc/59/41/58/991594158.db2.gz JMFTWYHSXSPOOZ-ZJUUUORDSA-N 0 1 240.372 2.256 20 0 BEADMN Cc1ccc2n[nH]c(CN(C)C3(C)COC3)c2c1 ZINC001140329951 991609505 /nfs/dbraw/zinc/60/95/05/991609505.db2.gz FZAUPSFMSOMQEG-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN CCC[C@H](C)CC(=O)NC1CN(CC(C)C)C1 ZINC001318007502 991609522 /nfs/dbraw/zinc/60/95/22/991609522.db2.gz LPIJKESKMFAPLM-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1ccncn1 ZINC001140351171 991627433 /nfs/dbraw/zinc/62/74/33/991627433.db2.gz VABZQCUYSOLMDK-GFCCVEGCSA-N 0 1 239.322 2.423 20 0 BEADMN Cc1cn(C)nc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC001560868264 991628317 /nfs/dbraw/zinc/62/83/17/991628317.db2.gz BCTVEXNTGSIRCM-CQSZACIVSA-N 0 1 245.370 2.493 20 0 BEADMN Cc1ccc(Cl)nc1CN1C[C@@H]2C[C@@H]2C1 ZINC001140442645 991641390 /nfs/dbraw/zinc/64/13/90/991641390.db2.gz LLDFSNKJBBJFNB-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN Cc1ccc(Cl)nc1CN(C)[C@H]1CCOC1 ZINC001140447871 991641460 /nfs/dbraw/zinc/64/14/60/991641460.db2.gz OPMMOWYJRMQHCC-JTQLQIEISA-N 0 1 240.734 2.264 20 0 BEADMN CCOc1cc(C)c(Nc2ccncc2)cn1 ZINC001203040942 991649840 /nfs/dbraw/zinc/64/98/40/991649840.db2.gz HJPCNQGWNSGUPA-UHFFFAOYSA-N 0 1 229.283 2.349 20 0 BEADMN CCCCOc1ncc(-n2cncc2N)cc1C ZINC001203040303 991650781 /nfs/dbraw/zinc/65/07/81/991650781.db2.gz AKJXJLJMGFXGFY-UHFFFAOYSA-N 0 1 246.314 2.337 20 0 BEADMN COc1cc(F)cc(CN2CC[C@@H]2C)c1 ZINC001140477669 991652451 /nfs/dbraw/zinc/65/24/51/991652451.db2.gz JGXLEBSPWXZXAQ-VIFPVBQESA-N 0 1 209.264 2.429 20 0 BEADMN Cc1cc(CNC2(c3ccccc3)CC2)[nH]n1 ZINC001318349418 991653256 /nfs/dbraw/zinc/65/32/56/991653256.db2.gz OOZYWXLSJSFNSF-UHFFFAOYSA-N 0 1 227.311 2.497 20 0 BEADMN Cc1cc(CNC2(c3ccccc3)CC2)n[nH]1 ZINC001318349418 991653259 /nfs/dbraw/zinc/65/32/59/991653259.db2.gz OOZYWXLSJSFNSF-UHFFFAOYSA-N 0 1 227.311 2.497 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140498610 991653642 /nfs/dbraw/zinc/65/36/42/991653642.db2.gz CGOWIXXYTOSQQN-DRZSPHRISA-N 0 1 249.285 2.175 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]1CF ZINC001140509195 991658381 /nfs/dbraw/zinc/65/83/81/991658381.db2.gz GOOOLOMNTYIVGE-LLVKDONJSA-N 0 1 237.274 2.319 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)Cc2ccco2)[nH]1 ZINC001318501196 991666746 /nfs/dbraw/zinc/66/67/46/991666746.db2.gz VGWMVQDWSYUJSL-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN Cc1cc(CN(C)Cc2cnn(C)c2)ccc1O ZINC001140574626 991674721 /nfs/dbraw/zinc/67/47/21/991674721.db2.gz LIYGJIRHKSWSCC-UHFFFAOYSA-N 0 1 245.326 2.066 20 0 BEADMN CCCC[C@@H](CCC)N(C)CC(=O)OC ZINC001258765107 991693854 /nfs/dbraw/zinc/69/38/54/991693854.db2.gz BLDYGKSOHPIJCB-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCC1(C(=O)Nc2nc(C(C)C)n[nH]2)CCC1 ZINC001318986200 991756915 /nfs/dbraw/zinc/75/69/15/991756915.db2.gz NOINOFGQJDZKCT-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC1(C(=O)Nc2n[nH]c(C(C)C)n2)CCC1 ZINC001318986200 991756925 /nfs/dbraw/zinc/75/69/25/991756925.db2.gz NOINOFGQJDZKCT-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC1CCN(CN2C(=O)CC2(C)C)CC1 ZINC001319000890 991760084 /nfs/dbraw/zinc/76/00/84/991760084.db2.gz LFCPWHFUNDOJCS-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)n1c(C)nnc1CN ZINC001258788739 991771024 /nfs/dbraw/zinc/77/10/24/991771024.db2.gz RVTDONZVCBAGTA-MWLCHTKSSA-N 0 1 224.352 2.433 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1CC[C@H]1C(=O)OC ZINC001258792695 991773867 /nfs/dbraw/zinc/77/38/67/991773867.db2.gz XPMJEBJYGYWUKE-TUAOUCFPSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CCC[C@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258810537 991818658 /nfs/dbraw/zinc/81/86/58/991818658.db2.gz NSLVKDXIHJINEA-MNOVXSKESA-N 0 1 249.291 2.113 20 0 BEADMN C[C@@H]1CCC[C@H](N2CCc3cnn(C)c3C2)C1 ZINC001258826217 991850258 /nfs/dbraw/zinc/85/02/58/991850258.db2.gz BWORIZSWAIFWRO-YPMHNXCESA-N 0 1 233.359 2.357 20 0 BEADMN C[C@@H]1CCC[C@H](N2CCn3nccc3C2)C1 ZINC001258828203 991854635 /nfs/dbraw/zinc/85/46/35/991854635.db2.gz JMYXTPWRQOAHHY-NEPJUHHUSA-N 0 1 219.332 2.277 20 0 BEADMN C[C@@H]1CCC[C@@H](N2CCn3nccc3C2)C1 ZINC001258828206 991855627 /nfs/dbraw/zinc/85/56/27/991855627.db2.gz JMYXTPWRQOAHHY-VXGBXAGGSA-N 0 1 219.332 2.277 20 0 BEADMN COc1ccccc1C[C@@H](C)n1ccnc1CN ZINC001258877408 991888726 /nfs/dbraw/zinc/88/87/26/991888726.db2.gz PQUWRIBZUVXIBJ-LLVKDONJSA-N 0 1 245.326 2.154 20 0 BEADMN COc1ccccc1C[C@@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001258893031 991891558 /nfs/dbraw/zinc/89/15/58/991891558.db2.gz WWUKARCXLCBANN-XBFCOCLRSA-N 0 1 247.338 2.099 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NCCN1CC=CC1 ZINC001319567540 991897331 /nfs/dbraw/zinc/89/73/31/991897331.db2.gz DOSZQZRDNHEPQF-LBPRGKRZSA-N 0 1 238.375 2.047 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H](C3CC3)C2)[nH]1 ZINC001319624326 991911498 /nfs/dbraw/zinc/91/14/98/991911498.db2.gz GRDQOQLEDZZPAZ-NSHDSACASA-N 0 1 247.342 2.405 20 0 BEADMN C[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCC1 ZINC001598456470 991940549 /nfs/dbraw/zinc/94/05/49/991940549.db2.gz VQZAKABRMUWRAJ-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nocc1NS(=O)(=O)C1CCCCC1 ZINC001259809705 991994421 /nfs/dbraw/zinc/99/44/21/991994421.db2.gz YYCKXYWEFRKCOV-UHFFFAOYSA-N 0 1 244.316 2.057 20 0 BEADMN Cc1c(C(=O)NC[C@H]2C[C@H]2C)ccc2cncn21 ZINC001319872150 992014474 /nfs/dbraw/zinc/01/44/74/992014474.db2.gz UUXWSWLATZLQAZ-MWLCHTKSSA-N 0 1 243.310 2.029 20 0 BEADMN CCCN(C)CN1CC[C@@H](c2ccccc2)C1=O ZINC001319882571 992016929 /nfs/dbraw/zinc/01/69/29/992016929.db2.gz DAXPHRJMMQSRSE-AWEZNQCLSA-N 0 1 246.354 2.302 20 0 BEADMN CCc1nc(NC(=O)C(F)=C2CCCC2)n[nH]1 ZINC001319891625 992023106 /nfs/dbraw/zinc/02/31/06/992023106.db2.gz KCJVZEOLWLNKEJ-UHFFFAOYSA-N 0 1 238.266 2.103 20 0 BEADMN CCc1n[nH]c(NC(=O)C(F)=C2CCCC2)n1 ZINC001319891625 992023115 /nfs/dbraw/zinc/02/31/15/992023115.db2.gz KCJVZEOLWLNKEJ-UHFFFAOYSA-N 0 1 238.266 2.103 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC001567392775 992030200 /nfs/dbraw/zinc/03/02/00/992030200.db2.gz MFUADPCXHSWTAB-IWSPIJDZSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)[nH]n2)CCS1 ZINC001319948153 992044044 /nfs/dbraw/zinc/04/40/44/992044044.db2.gz ISYLXCXBMXJVFY-NSHDSACASA-N 0 1 225.361 2.046 20 0 BEADMN CCc1cc(O)ccc1NC(=O)c1[nH]cnc1C ZINC001567552703 992064343 /nfs/dbraw/zinc/06/43/43/992064343.db2.gz NGHIJLWXIFUBMZ-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCCN(C(C)=O)[C@H]1CCN(C[C@H](F)CC)C1 ZINC001567677785 992072365 /nfs/dbraw/zinc/07/23/65/992072365.db2.gz KWVAGHLEILHEDT-OLZOCXBDSA-N 0 1 244.354 2.067 20 0 BEADMN CC[C@H]1CCN(C(=O)CN(CC)C2CC2)[C@@H]1C ZINC001567817085 992097022 /nfs/dbraw/zinc/09/70/22/992097022.db2.gz IZIOCRZWKCNDOL-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@@H]1CCC(C)(C)C1 ZINC000361174845 992176063 /nfs/dbraw/zinc/17/60/63/992176063.db2.gz HEQDWGURUPRNOR-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN CCn1nnc(C)c1CN1CC(C)(C)C1(C)C ZINC001261254719 992222432 /nfs/dbraw/zinc/22/24/32/992222432.db2.gz ZGDIXSLKLRZWPL-UHFFFAOYSA-N 0 1 236.363 2.227 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)C(C)=C1CCC1 ZINC001261269077 992238979 /nfs/dbraw/zinc/23/89/79/992238979.db2.gz CWEHRLMAICCUNH-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)C(C)=C1CCC1 ZINC001261269076 992239577 /nfs/dbraw/zinc/23/95/77/992239577.db2.gz CWEHRLMAICCUNH-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H](CSC)N(C)CN1C(=O)CC1(C)C ZINC001320584918 992257937 /nfs/dbraw/zinc/25/79/37/992257937.db2.gz FISDSFHTDMVPOP-JTQLQIEISA-N 0 1 244.404 2.028 20 0 BEADMN Cc1cc(CN2CCC([C@@H]3CCCO3)CC2)[nH]n1 ZINC001320589366 992261887 /nfs/dbraw/zinc/26/18/87/992261887.db2.gz LWLKPWPRXHDZKN-AWEZNQCLSA-N 0 1 249.358 2.109 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)OCc1nnc[nH]1 ZINC001261582946 992403432 /nfs/dbraw/zinc/40/34/32/992403432.db2.gz KESOEKSDCHVSBS-VHSXEESVSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)ONC(=O)C(C)(C)c1cccc(O)c1 ZINC001569692567 992416738 /nfs/dbraw/zinc/41/67/38/992416738.db2.gz IWJRSEHAGOVSFQ-UHFFFAOYSA-N 0 1 237.299 2.126 20 0 BEADMN CSc1ccc(C)c(NCc2nnc[nH]2)c1 ZINC001261647078 992442524 /nfs/dbraw/zinc/44/25/24/992442524.db2.gz HVDDYNUNMYGOQD-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN Cc1cc(C[N@H+]2CCC(C)=C(C)C2)[nH]n1 ZINC001321118255 992448276 /nfs/dbraw/zinc/44/82/76/992448276.db2.gz MDUPAGROZSCLRQ-UHFFFAOYSA-N 0 1 205.305 2.260 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001573407140 992612343 /nfs/dbraw/zinc/61/23/43/992612343.db2.gz CSCQUHTVWFTMJT-ZRJCITRHSA-N 0 1 245.322 2.195 20 0 BEADMN CSc1ccc(CN2CCc3cn[nH]c3C2)o1 ZINC001262109510 992681564 /nfs/dbraw/zinc/68/15/64/992681564.db2.gz VQTOVNHIUJMBAM-UHFFFAOYSA-N 0 1 249.339 2.283 20 0 BEADMN CCCCn1ncc(NCc2cnc[nH]2)c1C ZINC001262109979 992682716 /nfs/dbraw/zinc/68/27/16/992682716.db2.gz MXMXBFFHAJVMMZ-UHFFFAOYSA-N 0 1 233.319 2.327 20 0 BEADMN CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573770319 992708462 /nfs/dbraw/zinc/70/84/62/992708462.db2.gz OVYUKGWYCLWQMU-XRRVDJEJSA-N 0 1 239.359 2.464 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC001262161969 992720108 /nfs/dbraw/zinc/72/01/08/992720108.db2.gz ZMHJLRBIIBAYTB-SFYZADRCSA-N 0 1 241.253 2.370 20 0 BEADMN C/C=C/C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001262171568 992731942 /nfs/dbraw/zinc/73/19/42/992731942.db2.gz ZNGNRQFZZMSXSF-VOTSOKGWSA-N 0 1 235.331 2.242 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccn1C1CC1 ZINC001591569553 992772466 /nfs/dbraw/zinc/77/24/66/992772466.db2.gz LFUSBMGCZVCSHT-UHFFFAOYSA-N 0 1 236.315 2.118 20 0 BEADMN C[C@H](NCCC1CCOCC1)c1ncco1 ZINC001262187800 992777505 /nfs/dbraw/zinc/77/75/05/992777505.db2.gz XLHCPAAKHMXHOC-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN CC(C)[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCC1 ZINC001591573830 992779543 /nfs/dbraw/zinc/77/95/43/992779543.db2.gz TUHZBXHJYOHRAZ-UWVGGRQHSA-N 0 1 247.285 2.215 20 0 BEADMN CC(C)[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CCC1 ZINC001591573832 992779575 /nfs/dbraw/zinc/77/95/75/992779575.db2.gz TUHZBXHJYOHRAZ-VHSXEESVSA-N 0 1 247.285 2.215 20 0 BEADMN NC1(C(=O)CSc2cccc(Cl)c2)CC1 ZINC001574264547 992829055 /nfs/dbraw/zinc/82/90/55/992829055.db2.gz UENGJLFFZQFZIG-UHFFFAOYSA-N 0 1 241.743 2.493 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC1(C)CCC1 ZINC001574274465 992840015 /nfs/dbraw/zinc/84/00/15/992840015.db2.gz VYJBYTUFJCTWGZ-NXEZZACHSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001262338971 992841934 /nfs/dbraw/zinc/84/19/34/992841934.db2.gz HOTXPTCBHPHYLO-LDWIPMOCSA-N 0 1 241.237 2.199 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(C2CC2)cn1 ZINC001262346826 992848968 /nfs/dbraw/zinc/84/89/68/992848968.db2.gz HREFZDROEQYVMR-UHFFFAOYSA-N 0 1 247.342 2.238 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1nc(C)c(C)s1 ZINC001262360863 992857086 /nfs/dbraw/zinc/85/70/86/992857086.db2.gz TUGBQRIYIITCMX-GZMMTYOYSA-N 0 1 242.388 2.257 20 0 BEADMN CCC[C@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC001262646895 992995930 /nfs/dbraw/zinc/99/59/30/992995930.db2.gz PQSJXODAUVUPAZ-JTQLQIEISA-N 0 1 221.304 2.123 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ccccn2)[nH]n1 ZINC001262687851 993030761 /nfs/dbraw/zinc/03/07/61/993030761.db2.gz ZFBHHENUFMDPIR-VIFPVBQESA-N 0 1 216.288 2.156 20 0 BEADMN Cc1noc(N(C)Cc2cc(C(C)(C)C)[nH]n2)n1 ZINC001262694308 993036366 /nfs/dbraw/zinc/03/63/66/993036366.db2.gz QCQNXUIPQNOVSS-UHFFFAOYSA-N 0 1 249.318 2.035 20 0 BEADMN C[C@@H]1CN(c2cc(Cl)ccn2)C[C@H](C)N1C ZINC001262697116 993039481 /nfs/dbraw/zinc/03/94/81/993039481.db2.gz DCGOFNYWSVVANX-AOOOYVTPSA-N 0 1 239.750 2.264 20 0 BEADMN NCc1nccnc1NCCC[C@@H]1C=CCC1 ZINC001262704344 993048433 /nfs/dbraw/zinc/04/84/33/993048433.db2.gz RPAVRNDCUCSKMQ-LLVKDONJSA-N 0 1 232.331 2.094 20 0 BEADMN C[C@H](Cc1ccco1)N1CCc2ncncc2C1 ZINC000585379210 993259062 /nfs/dbraw/zinc/25/90/62/993259062.db2.gz GQVGLWMCYKDBJU-LLVKDONJSA-N 0 1 243.310 2.059 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](O)C2(C)C)c(C)s1 ZINC000381428164 993394813 /nfs/dbraw/zinc/39/48/13/993394813.db2.gz ZOTQBYQZJFIBCI-MNOVXSKESA-N 0 1 240.372 2.009 20 0 BEADMN CC(C)(C)c1ccc2nc(CCO)[nH]c2c1 ZINC000586894710 993414740 /nfs/dbraw/zinc/41/47/40/993414740.db2.gz RNATZTNKFGJJQH-UHFFFAOYSA-N 0 1 218.300 2.395 20 0 BEADMN C[C@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001576769938 993417219 /nfs/dbraw/zinc/41/72/19/993417219.db2.gz RMRWKNRDHSABLV-LOWDOPEQSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nc(NC(=O)C=Cc2cccs2)n[nH]1 ZINC000588395816 993477493 /nfs/dbraw/zinc/47/74/93/993477493.db2.gz NMYQMUIQBGBNID-WAYWQWQTSA-N 0 1 248.311 2.081 20 0 BEADMN CCc1n[nH]c(NC(=O)C=Cc2cccs2)n1 ZINC000588395816 993477498 /nfs/dbraw/zinc/47/74/98/993477498.db2.gz NMYQMUIQBGBNID-WAYWQWQTSA-N 0 1 248.311 2.081 20 0 BEADMN CC[C@H](C)CCCCC(=O)N1CCNC[C@@H]1C ZINC001576984608 993480162 /nfs/dbraw/zinc/48/01/62/993480162.db2.gz KXFDCLKQDWTODN-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)OC(C)C ZINC000383827253 993511800 /nfs/dbraw/zinc/51/18/00/993511800.db2.gz IMMLTUBYFQDFSE-MNOVXSKESA-N 0 1 213.321 2.058 20 0 BEADMN Cc1cc(F)cc(-c2noc([C@H]3CCN3)n2)c1 ZINC000384797964 993626156 /nfs/dbraw/zinc/62/61/56/993626156.db2.gz BHKJHYFERZCSTO-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN Cc1cc(-c2noc([C@@H]3CCN3)n2)ccc1F ZINC000384836747 993631738 /nfs/dbraw/zinc/63/17/38/993631738.db2.gz POPLHBRZZJKACJ-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC000384837272 993635140 /nfs/dbraw/zinc/63/51/40/993635140.db2.gz PYNNYLBEZNHGGV-JTQLQIEISA-N 0 1 215.256 2.079 20 0 BEADMN COC[C@H](C)N[C@H](CF)c1ccccc1 ZINC000390007164 993770104 /nfs/dbraw/zinc/77/01/04/993770104.db2.gz XGPDSNWQPGGGNN-CMPLNLGQSA-N 0 1 211.280 2.322 20 0 BEADMN CCc1cnc(CNCCC[C@H](O)CC)s1 ZINC000390652119 993801234 /nfs/dbraw/zinc/80/12/34/993801234.db2.gz PNCFIWTZQKKSLD-SNVBAGLBSA-N 0 1 242.388 2.346 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(O)cc(F)c2)C1 ZINC000701660843 993897554 /nfs/dbraw/zinc/89/75/54/993897554.db2.gz BSAAGRZNOMALMB-CYBMUJFWSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1ccc(N)cc1NC1CN(C(C)C)C1 ZINC000393946086 994022501 /nfs/dbraw/zinc/02/25/01/994022501.db2.gz FYDAPTFLNNIBME-UHFFFAOYSA-N 0 1 219.332 2.082 20 0 BEADMN Cc1ncc(C[N@@H+]2CC3CCC2CC3)[nH]1 ZINC000724780991 994075792 /nfs/dbraw/zinc/07/57/92/994075792.db2.gz YOADNYAQPMBNLZ-UHFFFAOYSA-N 0 1 205.305 2.093 20 0 BEADMN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(=O)[O-])o1 ZINC001593198891 994175800 /nfs/dbraw/zinc/17/58/00/994175800.db2.gz VINGNODPKVZJPI-JGVFFNPUSA-N 0 1 249.270 2.113 20 0 BEADMN COC[C@H](NCCOC1CC1)c1ccc(C)o1 ZINC001332836887 994368339 /nfs/dbraw/zinc/36/83/39/994368339.db2.gz AAWOXDVQATVFOX-LBPRGKRZSA-N 0 1 239.315 2.044 20 0 BEADMN CCn1cc(CN2CC[C@@H]3CCCC[C@H]3C2)nn1 ZINC001333745267 994507897 /nfs/dbraw/zinc/50/78/97/994507897.db2.gz HIHXBFLOWZPVPN-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)(NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001292360154 994608006 /nfs/dbraw/zinc/60/80/06/994608006.db2.gz XRSNYJUTPYKZCX-UHFFFAOYSA-N 0 1 247.273 2.214 20 0 BEADMN O=C(NCC(F)F)c1ccc(Cl)c(O)c1 ZINC001294008410 994677823 /nfs/dbraw/zinc/67/78/23/994677823.db2.gz NXBUXKDUHWILGY-UHFFFAOYSA-N 0 1 235.617 2.041 20 0 BEADMN CC(C)c1cc(NC(=O)c2ncccc2O)no1 ZINC001294099187 994679743 /nfs/dbraw/zinc/67/97/43/994679743.db2.gz JMDLRFGCNFGPJH-UHFFFAOYSA-N 0 1 247.254 2.151 20 0 BEADMN CCCCc1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001335835526 994873007 /nfs/dbraw/zinc/87/30/07/994873007.db2.gz BJJLYBWHXRYTIQ-UHFFFAOYSA-N 0 1 231.299 2.360 20 0 BEADMN C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365628 995041904 /nfs/dbraw/zinc/04/19/04/995041904.db2.gz CXEPLUZVHLWUCU-GDPRMGEGSA-N 0 1 246.310 2.480 20 0 BEADMN COc1ccc(NC(=O)c2cn[nH]c2C)c(F)c1 ZINC001302445950 995120560 /nfs/dbraw/zinc/12/05/60/995120560.db2.gz QGUCZKSSYIOQIQ-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN Clc1ccnc(CSc2c[nH]nn2)c1 ZINC001307309166 995321437 /nfs/dbraw/zinc/32/14/37/995321437.db2.gz YRESOMHJTMLCPV-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN C[C@H]([C@H](C)O)N1CCO[C@](C)(c2ccccc2)C1 ZINC001307578179 995409805 /nfs/dbraw/zinc/40/98/05/995409805.db2.gz BTWZZYFHQNPVCD-IPYPFGDCSA-N 0 1 249.354 2.003 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC001307833087 995476910 /nfs/dbraw/zinc/47/69/10/995476910.db2.gz YSKABVMITABDTO-VFRUTBLMSA-N 0 1 221.304 2.217 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C)Cc1ncccn1 ZINC001308035988 995532795 /nfs/dbraw/zinc/53/27/95/995532795.db2.gz MLKASTUUSZYRPI-MNOVXSKESA-N 0 1 207.321 2.343 20 0 BEADMN CC(C)(O)CCN1CCCC[C@H]1c1ncccn1 ZINC001308047090 995535243 /nfs/dbraw/zinc/53/52/43/995535243.db2.gz GDNMGQLPIIFFPL-LBPRGKRZSA-N 0 1 249.358 2.165 20 0 BEADMN OCCCCCN1CCCC[C@@H]1c1ncccn1 ZINC001308047916 995536708 /nfs/dbraw/zinc/53/67/08/995536708.db2.gz JBRDLMCDCNZALP-CYBMUJFWSA-N 0 1 249.358 2.166 20 0 BEADMN CC(=O)CN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308148313 995571300 /nfs/dbraw/zinc/57/13/00/995571300.db2.gz BVJOKVFWDWWBPE-AWEZNQCLSA-N 0 1 247.338 2.378 20 0 BEADMN CCc1ccc2c(c1)CN(CC(OC)OC)CC2 ZINC001308175139 995589305 /nfs/dbraw/zinc/58/93/05/995589305.db2.gz SSLDLEPGRXSLIK-UHFFFAOYSA-N 0 1 249.354 2.226 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593719160 996242163 /nfs/dbraw/zinc/24/21/63/996242163.db2.gz ACOQSRSLMSADHZ-QJPTWQEYSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@]1(C2CCCCC2)CC[N@H+]1CC(=O)[O-] ZINC001593993886 997287140 /nfs/dbraw/zinc/28/71/40/997287140.db2.gz ZNCFSDFDRWWPCG-LBPRGKRZSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@@](C)(F)C1)C(=O)[O-] ZINC001594044773 997689954 /nfs/dbraw/zinc/68/99/54/997689954.db2.gz DYGRPBXIJRNPJO-GFCCVEGCSA-N 0 1 231.311 2.311 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC001594110465 998211119 /nfs/dbraw/zinc/21/11/19/998211119.db2.gz WPVPVDOJKGTTCI-SECBINFHSA-N 0 1 235.283 2.376 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594231337 998879222 /nfs/dbraw/zinc/87/92/22/998879222.db2.gz SCDCOOYFOSRAIW-SBMIAAHKSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594277111 999071683 /nfs/dbraw/zinc/07/16/83/999071683.db2.gz BVBDWQPKXLHXLW-FMCLSXCISA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594370032 999393487 /nfs/dbraw/zinc/39/34/87/999393487.db2.gz DUSZHONOGQLXQB-SNVBAGLBSA-N 0 1 236.315 2.335 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594416931 999558750 /nfs/dbraw/zinc/55/87/50/999558750.db2.gz PIFKQQCUGKRROO-IJLUTSLNSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1cc(C)[nH]n1 ZINC001566930603 1170091446 /nfs/dbraw/zinc/09/14/46/1170091446.db2.gz AKTSCTSGRIFPFW-DGCLKSJQSA-N 0 1 249.358 2.440 20 0 BEADMN CCCCO[C@@H]1C[C@H](N(C)CC(C)=O)C1(C)C ZINC001616166982 1170116605 /nfs/dbraw/zinc/11/66/05/1170116605.db2.gz AWCHSEPMPANLIP-QWHCGFSZSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1cc(=O)[nH]c(OC2CCCCC2)n1 ZINC000039617885 1170195651 /nfs/dbraw/zinc/19/56/51/1170195651.db2.gz LEHVFCAPOJSWFC-UHFFFAOYSA-N 0 1 208.261 2.202 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC001608991834 1170213142 /nfs/dbraw/zinc/21/31/42/1170213142.db2.gz POWKSTYHNTYVQO-LLVKDONJSA-N 0 1 237.324 2.431 20 0 BEADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1)C1(C)CC1 ZINC001609759842 1170287633 /nfs/dbraw/zinc/28/76/33/1170287633.db2.gz DDTONYBTCNNSDL-VIFPVBQESA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@@H]1C ZINC001609869405 1170303963 /nfs/dbraw/zinc/30/39/63/1170303963.db2.gz YCHXFXLHAXSHNL-LNLATYFQSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1C ZINC001609869407 1170304964 /nfs/dbraw/zinc/30/49/64/1170304964.db2.gz YCHXFXLHAXSHNL-VDDIYKPWSA-N 0 1 237.274 2.292 20 0 BEADMN CC/C=C/CC[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001609952087 1170326742 /nfs/dbraw/zinc/32/67/42/1170326742.db2.gz SORJSNBJXAKVEG-SYTKJHMZSA-N 0 1 243.347 2.153 20 0 BEADMN C[N@@H+](CC1(C(=O)[O-])CC1)[C@H]1CCC(C)(C)C1 ZINC001610111804 1170350154 /nfs/dbraw/zinc/35/01/54/1170350154.db2.gz XMTCBTYRWFJSQL-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@@H+]2CCC[C@H]2C)n1C ZINC001610407997 1170375046 /nfs/dbraw/zinc/37/50/46/1170375046.db2.gz ZLUCHVKYLVHSFF-SECBINFHSA-N 0 1 236.315 2.016 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610528685 1170383746 /nfs/dbraw/zinc/38/37/46/1170383746.db2.gz CUMRVSPKYFGFPT-ZZVYKPCYSA-N 0 1 245.322 2.318 20 0 BEADMN CC(=CC(=O)Nc1nnc(C)[nH]1)c1cccs1 ZINC001610939753 1170424945 /nfs/dbraw/zinc/42/49/45/1170424945.db2.gz JFYIXUVNQRVFFM-VOTSOKGWSA-N 0 1 248.311 2.217 20 0 BEADMN CC(=CC(=O)Nc1nc(C)n[nH]1)c1cccs1 ZINC001610939753 1170424948 /nfs/dbraw/zinc/42/49/48/1170424948.db2.gz JFYIXUVNQRVFFM-VOTSOKGWSA-N 0 1 248.311 2.217 20 0 BEADMN CC(C)CCC(=O)N1CCN(C2CC2)C[C@@H]1C ZINC001611461722 1170437707 /nfs/dbraw/zinc/43/77/07/1170437707.db2.gz ZOUKFUIYHGZZDB-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN c1nnc(CSCc2nc3ccccc3[nH]2)[nH]1 ZINC001613844589 1170488058 /nfs/dbraw/zinc/48/80/58/1170488058.db2.gz BWOSAQOXXRZITF-UHFFFAOYSA-N 0 1 245.311 2.114 20 0 BEADMN CCC(C)(C)CNC(=O)CCc1cc(C)[nH]n1 ZINC001616189346 1170546465 /nfs/dbraw/zinc/54/64/65/1170546465.db2.gz JXDVFZTZTCDRJI-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H]3[C@@H](C2)C3(F)F)o1 ZINC001616468434 1170553521 /nfs/dbraw/zinc/55/35/21/1170553521.db2.gz YMHOXSWSQRIYPQ-VHSXEESVSA-N 0 1 242.269 2.378 20 0 BEADMN Cc1nnc(NC(=O)c2ccsc2Cl)[nH]1 ZINC001617157775 1170581620 /nfs/dbraw/zinc/58/16/20/1170581620.db2.gz VNBYPHOXUCTDFU-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccsc2Cl)n1 ZINC001617157775 1170581626 /nfs/dbraw/zinc/58/16/26/1170581626.db2.gz VNBYPHOXUCTDFU-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2nnnn2C2CC2)[C@H]1C ZINC001617358584 1170590665 /nfs/dbraw/zinc/59/06/65/1170590665.db2.gz BIOFJCDIJLNQIN-HBNTYKKESA-N 0 1 249.362 2.189 20 0 BEADMN CC(C)CNC(=O)c1ccc(Cl)c(O)c1 ZINC001618248098 1170624390 /nfs/dbraw/zinc/62/43/90/1170624390.db2.gz XIXXYYNFCQZBNX-UHFFFAOYSA-N 0 1 227.691 2.431 20 0 BEADMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1[C@@H]1C=CCCC1 ZINC001618874301 1170652698 /nfs/dbraw/zinc/65/26/98/1170652698.db2.gz UJJJIKPKQBVXCW-YVECIDJPSA-N 0 1 236.359 2.035 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCCC[C@@H]1O)C2 ZINC001620434896 1170668833 /nfs/dbraw/zinc/66/88/33/1170668833.db2.gz JDPWNKXZECDAST-DOMZBBRYSA-N 0 1 247.338 2.259 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCCC[C@H]1O)C2 ZINC001620434898 1170670112 /nfs/dbraw/zinc/67/01/12/1170670112.db2.gz JDPWNKXZECDAST-SWLSCSKDSA-N 0 1 247.338 2.259 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC001620643530 1170694569 /nfs/dbraw/zinc/69/45/69/1170694569.db2.gz JGWFEDZGJUZKAH-SNVBAGLBSA-N 0 1 224.304 2.448 20 0 BEADMN Fc1cc(F)c2c(c1)CCN(Cc1cnc[nH]1)C2 ZINC001620686432 1170703760 /nfs/dbraw/zinc/70/37/60/1170703760.db2.gz HQDWMOMIHPFQFP-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN CC(C)(CF)NCc1ccc2nonc2c1 ZINC001621265957 1170756111 /nfs/dbraw/zinc/75/61/11/1170756111.db2.gz HFHQGRUMHJDBCQ-UHFFFAOYSA-N 0 1 223.251 2.061 20 0 BEADMN CCc1ccc(C)nc1N[C@H]1C[C@@H]2COC[C@@H]21 ZINC001621437100 1170808498 /nfs/dbraw/zinc/80/84/98/1170808498.db2.gz ARCQLLRSSCCYLI-AGIUHOORSA-N 0 1 232.327 2.399 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(CF)cc1 ZINC001624301148 1171036280 /nfs/dbraw/zinc/03/62/80/1171036280.db2.gz GRGRCCVIHHYHCM-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN Cc1cc(C(=O)Nc2cccc3[nH]nnc32)co1 ZINC001624600542 1171046353 /nfs/dbraw/zinc/04/63/53/1171046353.db2.gz ZKBJPPQYWWHJHG-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC(C)(C(=O)NOCC1CC1)c1cccc(O)c1 ZINC001624947173 1171065029 /nfs/dbraw/zinc/06/50/29/1171065029.db2.gz IZBLVRBKFFNLEJ-UHFFFAOYSA-N 0 1 249.310 2.128 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)[C@@H]1CCN1CC ZINC001625750289 1171113927 /nfs/dbraw/zinc/11/39/27/1171113927.db2.gz BNPBWRLBNNXFNK-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN O=C(Nc1cnoc1)c1ccc(Cl)c(O)c1 ZINC001627760973 1171185608 /nfs/dbraw/zinc/18/56/08/1171185608.db2.gz HJPFHGBNSHGWML-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN Cc1nnc(SCC(=O)Cc2ccccc2)[nH]1 ZINC000041633000 1171190508 /nfs/dbraw/zinc/19/05/08/1171190508.db2.gz VUNJKUNIYSKGQA-UHFFFAOYSA-N 0 1 247.323 2.017 20 0 BEADMN Cc1n[nH]c(SCC(=O)Cc2ccccc2)n1 ZINC000041633000 1171190517 /nfs/dbraw/zinc/19/05/17/1171190517.db2.gz VUNJKUNIYSKGQA-UHFFFAOYSA-N 0 1 247.323 2.017 20 0 BEADMN Cc1cc(CCC(=O)NC(C)(C)C2CCC2)n[nH]1 ZINC001628000129 1171200439 /nfs/dbraw/zinc/20/04/39/1171200439.db2.gz TYAVRGWHYDOWQR-UHFFFAOYSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nocc1NC(=O)c1cccc2cn[nH]c21 ZINC001628176933 1171212548 /nfs/dbraw/zinc/21/25/48/1171212548.db2.gz YZWMJHYWXBLXMU-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC[C@H](C)CCNC(=O)CCc1cc(C)[nH]n1 ZINC001628839765 1171270514 /nfs/dbraw/zinc/27/05/14/1171270514.db2.gz ZYIGHBNDFYDMQY-JTQLQIEISA-N 0 1 237.347 2.203 20 0 BEADMN CC(Cl)=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001629418437 1171313769 /nfs/dbraw/zinc/31/37/69/1171313769.db2.gz XTAWREGWGDINKL-XQRVVYSFSA-N 0 1 236.662 2.039 20 0 BEADMN Cc1cc(CCC(=O)N(CC(C)C)C2CC2)n[nH]1 ZINC001629555831 1171327376 /nfs/dbraw/zinc/32/73/76/1171327376.db2.gz SLNHPOKDKFFPNA-UHFFFAOYSA-N 0 1 249.358 2.298 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H](C)CC2CCC2)n[nH]1 ZINC001631058224 1171439882 /nfs/dbraw/zinc/43/98/82/1171439882.db2.gz YITSQKQGEVIVKG-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000048372082 1171610044 /nfs/dbraw/zinc/61/00/44/1171610044.db2.gz ISNNMZVREJPEIW-VIFPVBQESA-N 0 1 217.272 2.325 20 0 BEADMN CC(C)CCCCNC(=O)CN(C)C1CCC1 ZINC001634145340 1171628174 /nfs/dbraw/zinc/62/81/74/1171628174.db2.gz JDRBGZKIIYRIIV-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ccc(C=CCC(=O)Nc2c[nH]nn2)cc1 ZINC001634387296 1171648410 /nfs/dbraw/zinc/64/84/10/1171648410.db2.gz IFLRMUQCVDKIGU-NSCUHMNNSA-N 0 1 242.282 2.155 20 0 BEADMN CCO[C@H]1[C@H](C(=O)NOC2CCCCC2)[C@@H]1C ZINC001634691586 1171671232 /nfs/dbraw/zinc/67/12/32/1171671232.db2.gz MEHKMZMSXGVMQG-MVWJERBFSA-N 0 1 241.331 2.038 20 0 BEADMN CC(C)OC(=O)CN1CCCCCCC1 ZINC000049800064 1171727471 /nfs/dbraw/zinc/72/74/71/1171727471.db2.gz ZCPKFUIJWGCJJF-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CC23CCCC3)[nH]1 ZINC001635606199 1171742404 /nfs/dbraw/zinc/74/24/04/1171742404.db2.gz DXSAIMAFFNLFCJ-LLVKDONJSA-N 0 1 247.342 2.169 20 0 BEADMN CC1(C)CN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001635629354 1171745720 /nfs/dbraw/zinc/74/57/20/1171745720.db2.gz KBINMHRXAPUHDF-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1ccoc1 ZINC001636204495 1171813033 /nfs/dbraw/zinc/81/30/33/1171813033.db2.gz XSAVNQANFPTAGX-UHFFFAOYSA-N 0 1 227.223 2.180 20 0 BEADMN CN[C@@H](C)c1nnc(-c2cccc(F)c2)o1 ZINC000050618260 1171821823 /nfs/dbraw/zinc/82/18/23/1171821823.db2.gz OXDMRGFUMDWEJW-ZETCQYMHSA-N 0 1 221.235 2.156 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cccc(O)c1F ZINC001636439893 1171834208 /nfs/dbraw/zinc/83/42/08/1171834208.db2.gz ZVKRSRYYIALGIP-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN C[C@@H](C(=O)NCCN1CCC1)[C@H](C)C(C)(C)C ZINC001636875522 1171889522 /nfs/dbraw/zinc/88/95/22/1171889522.db2.gz JZSURVQDONQICG-NEPJUHHUSA-N 0 1 240.391 2.127 20 0 BEADMN CCCn1c2cc(F)ccc2nc1CN ZINC000052124856 1171944691 /nfs/dbraw/zinc/94/46/91/1171944691.db2.gz CDNHIROBFUXKES-UHFFFAOYSA-N 0 1 207.252 2.044 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)C(F)F)N1CCCCCC1 ZINC001637657505 1171951921 /nfs/dbraw/zinc/95/19/21/1171951921.db2.gz ZNPDZWBNEBPEKM-VHSXEESVSA-N 0 1 248.317 2.021 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(F)F ZINC001637657504 1171952456 /nfs/dbraw/zinc/95/24/56/1171952456.db2.gz ZNPDZWBNEBPEKM-UWVGGRQHSA-N 0 1 248.317 2.021 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C3CCC3)C2)n1 ZINC000628314035 349433636 /nfs/dbraw/zinc/43/36/36/349433636.db2.gz KTVXALGLYUZXNI-LBPRGKRZSA-N 0 1 219.332 2.340 20 0 BEADMN CCC(CC)(CC)NC(=O)Cc1cc(C)n[nH]1 ZINC000120471726 168315689 /nfs/dbraw/zinc/31/56/89/168315689.db2.gz GEKILCDQOGQFSR-UHFFFAOYSA-N 0 1 237.347 2.346 20 0 BEADMN COCC[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000268020349 538916099 /nfs/dbraw/zinc/91/60/99/538916099.db2.gz KHEZHURTOJIYOM-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000266887248 538913831 /nfs/dbraw/zinc/91/38/31/538913831.db2.gz LKKWUVROFGCIGT-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1nc(C2CC2)cs1 ZINC000070943232 398141453 /nfs/dbraw/zinc/14/14/53/398141453.db2.gz LQWZVWOMFCMWSU-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])CC1CCCC1 ZINC000062742767 349491325 /nfs/dbraw/zinc/49/13/25/349491325.db2.gz MODRRKNRABWTPN-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)CCOCC[N@H+](CC(=O)[O-])CC(C)C ZINC000062742781 349491365 /nfs/dbraw/zinc/49/13/65/349491365.db2.gz GOIJJKMBWUYMSG-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC000602220068 349479054 /nfs/dbraw/zinc/47/90/54/349479054.db2.gz AODPIGVCDAZBQL-VIFPVBQESA-N 0 1 247.342 2.064 20 0 BEADMN CC(C)[C@@H]1C[C@H](N[C@@H](C)C(F)F)CCO1 ZINC000389913451 398148642 /nfs/dbraw/zinc/14/86/42/398148642.db2.gz LKKSECOJKCVULD-AEJSXWLSSA-N 0 1 221.291 2.433 20 0 BEADMN Cc1cc(CNCCc2cccc(F)c2)no1 ZINC000357399058 178022739 /nfs/dbraw/zinc/02/27/39/178022739.db2.gz BLPHGMQMVUZXMT-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN Cc1cc(CN2CC[C@@](F)(CO)C2)c(C)s1 ZINC000334155400 178002018 /nfs/dbraw/zinc/00/20/18/178002018.db2.gz VFIYWEACSPNNLO-LBPRGKRZSA-N 0 1 243.347 2.271 20 0 BEADMN Cc1[nH]ncc1[C@H](C)N[C@@H](C)C(F)(F)F ZINC000389934524 398151018 /nfs/dbraw/zinc/15/10/18/398151018.db2.gz MKQXDXVXCLPRPS-FSPLSTOPSA-N 0 1 221.226 2.320 20 0 BEADMN Cc1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)on1 ZINC000298449727 178004410 /nfs/dbraw/zinc/00/44/10/178004410.db2.gz ZRYHWYUACFTVRZ-WDEREUQCSA-N 0 1 242.269 2.460 20 0 BEADMN CCC(CC)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000361888223 168335210 /nfs/dbraw/zinc/33/52/10/168335210.db2.gz JTSXYQBJSIQJAC-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](N[C@@H]1CCOC2(CCC2)C1)C(F)F ZINC000389942910 398152843 /nfs/dbraw/zinc/15/28/43/398152843.db2.gz OEYNWAUOBBFDOZ-RKDXNWHRSA-N 0 1 219.275 2.331 20 0 BEADMN C[C@@H](CF)NCc1cnc(C2CC2)s1 ZINC000379637242 398158472 /nfs/dbraw/zinc/15/84/72/398158472.db2.gz RSSWMYCCFYEOLR-ZETCQYMHSA-N 0 1 214.309 2.468 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000063067605 349505959 /nfs/dbraw/zinc/50/59/59/349505959.db2.gz LRFPSVFNDDSGOV-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1cc(CNCc2cccc(F)c2)n(C)n1 ZINC000089182534 178027902 /nfs/dbraw/zinc/02/79/02/178027902.db2.gz NDUOPSSXGVTIAI-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1cnn(CC[N@H+](C)Cc2ccc(C)cn2)c1 ZINC000649900723 398170920 /nfs/dbraw/zinc/17/09/20/398170920.db2.gz UCUBTHXDIRODKD-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN Cc1cnn(CCN(C)Cc2ccc(C)cn2)c1 ZINC000649900723 398170925 /nfs/dbraw/zinc/17/09/25/398170925.db2.gz UCUBTHXDIRODKD-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019904987 398172298 /nfs/dbraw/zinc/17/22/98/398172298.db2.gz CDSJVOUCWAVNNI-GHMZBOCLSA-N 0 1 247.342 2.259 20 0 BEADMN Cc1cc(CN[C@H](C)C[C@H]2CCCO2)no1 ZINC000309723894 178036860 /nfs/dbraw/zinc/03/68/60/178036860.db2.gz COWOCDOTBJCORK-BXKDBHETSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CN[C@H]2COc3ccccc3C2)on1 ZINC000328423582 178041483 /nfs/dbraw/zinc/04/14/83/178041483.db2.gz ZNKVQQSTACSEEG-GFCCVEGCSA-N 0 1 244.294 2.076 20 0 BEADMN Cc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)on1 ZINC000374598144 178041999 /nfs/dbraw/zinc/04/19/99/178041999.db2.gz WANNGKFHXNMLHI-QWHCGFSZSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C2=CCCCC2)n[nH]1 ZINC000188538511 178055048 /nfs/dbraw/zinc/05/50/48/178055048.db2.gz UOMRYEZAEDNWFI-SNVBAGLBSA-N 0 1 247.342 2.266 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC000178194638 178055614 /nfs/dbraw/zinc/05/56/14/178055614.db2.gz JDVVKLKEEKZPOK-KOLCDFICSA-N 0 1 237.347 2.057 20 0 BEADMN Cc1cc(Cc2nc([C@@H](C)C3CC3)no2)[nH]n1 ZINC000274151614 178059720 /nfs/dbraw/zinc/05/97/20/178059720.db2.gz YVAKNBBOYGQABX-QMMMGPOBSA-N 0 1 232.287 2.205 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CCCCS(C)(=O)=O ZINC000162479258 538922560 /nfs/dbraw/zinc/92/25/60/538922560.db2.gz FHEWEINBBTVXCM-TXEJJXNPSA-N 0 1 247.404 2.074 20 0 BEADMN COCC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000283444013 398186989 /nfs/dbraw/zinc/18/69/89/398186989.db2.gz IDYMIFDDQXOVRF-WCBMZHEXSA-N 0 1 212.293 2.059 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(F)cc1C ZINC000128133819 178082867 /nfs/dbraw/zinc/08/28/67/178082867.db2.gz IHMNNWDCCMJBMF-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1CCC[C@H]1C ZINC000072875555 398189289 /nfs/dbraw/zinc/18/92/89/398189289.db2.gz DMYAYNAZHWNEFO-YPMHNXCESA-N 0 1 233.311 2.385 20 0 BEADMN Cc1cc(F)ccc1CN1CCN(C2CC2)CC1 ZINC000127923925 178084909 /nfs/dbraw/zinc/08/49/09/178084909.db2.gz LAHGPCJQXRRKGF-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN CC(C)(C)OCCC[N@H+]1CC[C@H](F)C1 ZINC000649938924 398191577 /nfs/dbraw/zinc/19/15/77/398191577.db2.gz JRVLLXNBTBYECL-JTQLQIEISA-N 0 1 203.301 2.235 20 0 BEADMN CC(C)(C)OCCCN1CC[C@H](F)C1 ZINC000649938924 398191581 /nfs/dbraw/zinc/19/15/81/398191581.db2.gz JRVLLXNBTBYECL-JTQLQIEISA-N 0 1 203.301 2.235 20 0 BEADMN CC(C)(C)OCCCN1CC[C@@H](F)C1 ZINC000649943791 398193490 /nfs/dbraw/zinc/19/34/90/398193490.db2.gz JRVLLXNBTBYECL-SNVBAGLBSA-N 0 1 203.301 2.235 20 0 BEADMN C[C@@H](O)[C@H](C)Nc1ccc2cnccc2c1 ZINC000520570072 398194633 /nfs/dbraw/zinc/19/46/33/398194633.db2.gz KSFXSEIQPHENIY-VHSXEESVSA-N 0 1 216.284 2.416 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H]2C(C)(C)C)o1 ZINC000334260283 398194673 /nfs/dbraw/zinc/19/46/73/398194673.db2.gz WAMKFIXFOLSZOU-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C(C)(C)C)o1 ZINC000334260283 398194676 /nfs/dbraw/zinc/19/46/76/398194676.db2.gz WAMKFIXFOLSZOU-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](C)C1 ZINC000334260303 398194724 /nfs/dbraw/zinc/19/47/24/398194724.db2.gz RMSNEUCBHOUGCT-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)nc1 ZINC000576242046 365534464 /nfs/dbraw/zinc/53/44/64/365534464.db2.gz MPUWMQKSSSIAOD-UHFFFAOYSA-N 0 1 248.326 2.083 20 0 BEADMN CCc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)nc1 ZINC000576242046 365534469 /nfs/dbraw/zinc/53/44/69/365534469.db2.gz MPUWMQKSSSIAOD-UHFFFAOYSA-N 0 1 248.326 2.083 20 0 BEADMN CC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000334289795 398195848 /nfs/dbraw/zinc/19/58/48/398195848.db2.gz BOJSFBFBTFLLJA-LBPRGKRZSA-N 0 1 234.299 2.030 20 0 BEADMN Cc1nnc([C@@H](C)NCCCOC(C)C)s1 ZINC000336750869 398203354 /nfs/dbraw/zinc/20/33/54/398203354.db2.gz VBYPUBRMHDXQSJ-SECBINFHSA-N 0 1 243.376 2.312 20 0 BEADMN C[C@H]1CSCCN(Cc2ccnc(C#N)c2)C1 ZINC000380360877 343983439 /nfs/dbraw/zinc/98/34/39/343983439.db2.gz AKTFJNBISPUQTA-LLVKDONJSA-N 0 1 247.367 2.138 20 0 BEADMN CC(C)CSCCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000576285373 365552654 /nfs/dbraw/zinc/55/26/54/365552654.db2.gz FEIVVXFUBYCUCH-NSHDSACASA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccnc(C#N)c2)C1 ZINC000380360878 343983612 /nfs/dbraw/zinc/98/36/12/343983612.db2.gz AKTFJNBISPUQTA-NSHDSACASA-N 0 1 247.367 2.138 20 0 BEADMN CC(C)(O)CCOc1ccccc1-c1nnc[nH]1 ZINC000339072908 187328013 /nfs/dbraw/zinc/32/80/13/187328013.db2.gz VYZWEDCTTNTGTG-UHFFFAOYSA-N 0 1 247.298 2.012 20 0 BEADMN Cc1ccncc1CN[C@H](C(N)=O)C(C)(C)C ZINC000331034156 398215324 /nfs/dbraw/zinc/21/53/24/398215324.db2.gz KRCZLHOVSXKPCS-LLVKDONJSA-N 0 1 235.331 2.430 20 0 BEADMN C[N@@H+](CCc1ccccc1)CC1(C(=O)[O-])CC1 ZINC000258845163 349518979 /nfs/dbraw/zinc/51/89/79/349518979.db2.gz FOLVXKSSUQUFNC-UHFFFAOYSA-N 0 1 233.311 2.026 20 0 BEADMN CCC(=O)CCCN1CC[C@H](C)[C@H](F)C1 ZINC000649416390 398217089 /nfs/dbraw/zinc/21/70/89/398217089.db2.gz SKVBNCYZXGXAGR-CMPLNLGQSA-N 0 1 215.312 2.426 20 0 BEADMN CCC(=O)CCCN1CC[C@H](C)[C@@H](F)C1 ZINC000649416391 398217164 /nfs/dbraw/zinc/21/71/64/398217164.db2.gz SKVBNCYZXGXAGR-JQWIXIFHSA-N 0 1 215.312 2.426 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356842820 168344404 /nfs/dbraw/zinc/34/44/04/168344404.db2.gz HJTWEVBFVDQYTL-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000042317338 168349798 /nfs/dbraw/zinc/34/97/98/168349798.db2.gz RBNKTBVJCVKUMY-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1c(Cl)c(CNC[C@H]2CC23CC3)nn1C ZINC000421380958 192324580 /nfs/dbraw/zinc/32/45/80/192324580.db2.gz KVOKCDSTMMQDAU-SECBINFHSA-N 0 1 239.750 2.272 20 0 BEADMN CCn1cncc1CNCc1cc(C)nc(C)c1 ZINC000421390055 192326525 /nfs/dbraw/zinc/32/65/25/192326525.db2.gz ZBALNRMLQOTFQZ-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619106 178202320 /nfs/dbraw/zinc/20/23/20/178202320.db2.gz PECDCQMLVSTTID-SDDRHHMPSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619106 178202322 /nfs/dbraw/zinc/20/23/22/178202322.db2.gz PECDCQMLVSTTID-SDDRHHMPSA-N 0 1 247.342 2.284 20 0 BEADMN CCC(CC)CN1CCn2cc(C)nc2C1 ZINC000371674760 168352975 /nfs/dbraw/zinc/35/29/75/168352975.db2.gz IQNXTRQCRWZWIA-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CO)CC(C)C)no1 ZINC000284118139 178233419 /nfs/dbraw/zinc/23/34/19/178233419.db2.gz NQMPNYJSTIGQCE-MNOVXSKESA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@@H]1CN(CC2=CCCOC2)C[C@H](CC)O1 ZINC000421397191 192328945 /nfs/dbraw/zinc/32/89/45/192328945.db2.gz XIQDBOGWHAJSRL-OKILXGFUSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cc([C@@H](C)NCCC[C@@H](C)CO)no1 ZINC000285272856 178224069 /nfs/dbraw/zinc/22/40/69/178224069.db2.gz QWRHFPJLMYENIS-MWLCHTKSSA-N 0 1 226.320 2.042 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccccn2)no1 ZINC000279720824 178225967 /nfs/dbraw/zinc/22/59/67/178225967.db2.gz ZKUGITRLIIVDRC-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H](O)C(F)F)oc1C ZINC000309564123 178225972 /nfs/dbraw/zinc/22/59/72/178225972.db2.gz LUWNCYUFEDTUGZ-VXNVDRBHSA-N 0 1 233.258 2.173 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@](C)(O)C(C)C)no1 ZINC000309523945 178226931 /nfs/dbraw/zinc/22/69/31/178226931.db2.gz AUCLYFKMSDGKAC-ZYHUDNBSSA-N 0 1 226.320 2.041 20 0 BEADMN CSCCCNCc1nn(C)c(C)c1Cl ZINC000421362832 192333346 /nfs/dbraw/zinc/33/33/46/192333346.db2.gz KBAGRIHUVNFDMV-UHFFFAOYSA-N 0 1 247.795 2.225 20 0 BEADMN CC[C@@H](CO)NCc1c(Cl)cccc1OC ZINC000162015031 349523026 /nfs/dbraw/zinc/52/30/26/349523026.db2.gz HGPDWDWZZUPJEC-VIFPVBQESA-N 0 1 243.734 2.209 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)O)no1 ZINC000296251982 178231554 /nfs/dbraw/zinc/23/15/54/178231554.db2.gz CXNWFEYNBNNZIE-WCBMZHEXSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CO)CC(C)(C)C)no1 ZINC000330810914 178233097 /nfs/dbraw/zinc/23/30/97/178233097.db2.gz KATYBCUWBOUWKE-MNOVXSKESA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc(C)cc(CSCc2nn[nH]n2)c1 ZINC000268029687 187333420 /nfs/dbraw/zinc/33/34/20/187333420.db2.gz YULXUNYHZISZQB-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H](C)C2)no1 ZINC000282831409 178253569 /nfs/dbraw/zinc/25/35/69/178253569.db2.gz ZHTPXNIMHWPWCG-INTQDDNPSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)NCC(C)(C)C[C@@H](C)O)no1 ZINC000330991257 178245180 /nfs/dbraw/zinc/24/51/80/178245180.db2.gz MXTCRUMZJNEGLF-KOLCDFICSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)NCC(=O)N(C)C)c(C)s1 ZINC000037225267 178245297 /nfs/dbraw/zinc/24/52/97/178245297.db2.gz NCCGYGBZXNTTGE-VIFPVBQESA-N 0 1 240.372 2.104 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccccn2)no1 ZINC000279720825 178248646 /nfs/dbraw/zinc/24/86/46/178248646.db2.gz ZKUGITRLIIVDRC-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN Cc1cc([C@H](C)NCCc2cccnc2)no1 ZINC000280983388 178248757 /nfs/dbraw/zinc/24/87/57/178248757.db2.gz LJVGGDKWUSXSFZ-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN CN(CC(=O)NCC1(C)CCCC1)C1CCC1 ZINC000629959426 361802150 /nfs/dbraw/zinc/80/21/50/361802150.db2.gz QDTRNUXWRYCRTC-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)C(=O)N(C)C)cs1 ZINC000296444811 178252340 /nfs/dbraw/zinc/25/23/40/178252340.db2.gz MVLXCHTYOOTROA-UWVGGRQHSA-N 0 1 240.372 2.184 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2CCO)no1 ZINC000330493018 178254328 /nfs/dbraw/zinc/25/43/28/178254328.db2.gz LNFQGFOSPSIFQE-QJPTWQEYSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@@H]23)no1 ZINC000337532338 178255689 /nfs/dbraw/zinc/25/56/89/178255689.db2.gz DOQKUUBMRPOWJF-DJIHRAIXSA-N 0 1 236.315 2.201 20 0 BEADMN CN(CC(=O)Nc1ccsc1)C1CCC1 ZINC000629963747 361811428 /nfs/dbraw/zinc/81/14/28/361811428.db2.gz ZNKBHSZVMDCUJL-UHFFFAOYSA-N 0 1 224.329 2.171 20 0 BEADMN Cc1cccc(NC(=O)CN(C)C2CCC2)c1O ZINC000629968593 361815345 /nfs/dbraw/zinc/81/53/45/361815345.db2.gz GXBBUUGLVNRIRO-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000022261081 343992401 /nfs/dbraw/zinc/99/24/01/343992401.db2.gz QZQLOHWYSBPOTC-UHFFFAOYSA-N 0 1 231.299 2.288 20 0 BEADMN C[C@H](CN[C@H](C)c1ncc[nH]1)c1nccs1 ZINC000285955048 538942400 /nfs/dbraw/zinc/94/24/00/538942400.db2.gz FGGREHVCTIMGLU-RKDXNWHRSA-N 0 1 236.344 2.321 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1nccs1)OC ZINC000381284422 398247737 /nfs/dbraw/zinc/24/77/37/398247737.db2.gz MAXBURYMEMFGBN-VHSXEESVSA-N 0 1 228.361 2.294 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ncc[nH]1)c1nccs1 ZINC000285955046 538942541 /nfs/dbraw/zinc/94/25/41/538942541.db2.gz FGGREHVCTIMGLU-IUCAKERBSA-N 0 1 236.344 2.321 20 0 BEADMN CCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)[O-])o1 ZINC000576668388 365653816 /nfs/dbraw/zinc/65/38/16/365653816.db2.gz WZTQBUMZQHIAGO-ONGXEEELSA-N 0 1 237.299 2.452 20 0 BEADMN CO[C@H](CN[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286263146 538943661 /nfs/dbraw/zinc/94/36/61/538943661.db2.gz VAALHALDXVLWFZ-DGCLKSJQSA-N 0 1 245.326 2.448 20 0 BEADMN CCc1cc(CN[C@H]2CC[C@H]2SC)on1 ZINC000576631211 365642638 /nfs/dbraw/zinc/64/26/38/365642638.db2.gz RXGHMTZJRPTPPZ-WDEREUQCSA-N 0 1 226.345 2.221 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)N(C(=O)CN(C)C)C1 ZINC000286435053 538944079 /nfs/dbraw/zinc/94/40/79/538944079.db2.gz SDYAZYNRCSMVAA-GXTWGEPZSA-N 0 1 246.354 2.158 20 0 BEADMN CC1(C)CC(CN2CCc3nccnc3C2)C1 ZINC000625562436 343995491 /nfs/dbraw/zinc/99/54/91/343995491.db2.gz ZXVAWIBHRCOWNE-UHFFFAOYSA-N 0 1 231.343 2.271 20 0 BEADMN CCC(O)(CC)CCN[C@@H](C)c1ncc[nH]1 ZINC000287311801 538944649 /nfs/dbraw/zinc/94/46/49/538944649.db2.gz FARUZJZXNMMMFU-JTQLQIEISA-N 0 1 225.336 2.002 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1nccn1CC)OC ZINC000381442245 398257848 /nfs/dbraw/zinc/25/78/48/398257848.db2.gz YRISSIUZHNOBAA-NWDGAFQWSA-N 0 1 239.363 2.054 20 0 BEADMN C[C@@H](NC[C@@H]1COc2ccccc21)c1ncc[nH]1 ZINC000290522659 538946777 /nfs/dbraw/zinc/94/67/77/538946777.db2.gz ZBMNNDXFIQHZAB-GHMZBOCLSA-N 0 1 243.310 2.237 20 0 BEADMN Cc1ccc(-c2csc(NC(=O)CN)n2)cc1 ZINC000196362075 178329835 /nfs/dbraw/zinc/32/98/35/178329835.db2.gz IATRHKUUAPZZMV-UHFFFAOYSA-N 0 1 247.323 2.016 20 0 BEADMN CC(F)(F)CN[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000378750420 346822369 /nfs/dbraw/zinc/82/23/69/346822369.db2.gz OGBFMPFJOHGPQK-RQJHMYQMSA-N 0 1 247.207 2.341 20 0 BEADMN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cnn(C)c1 ZINC000378828594 346841945 /nfs/dbraw/zinc/84/19/45/346841945.db2.gz ITTLFSKEVVRSTL-UTUOFQBUSA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CN1CCS(=O)CC1 ZINC000600118422 342674851 /nfs/dbraw/zinc/67/48/51/342674851.db2.gz UXIBSDJNBOMLGL-QWHCGFSZSA-N 0 1 243.416 2.267 20 0 BEADMN CSC[C@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000600121503 342679237 /nfs/dbraw/zinc/67/92/37/342679237.db2.gz VKOSPTWFVVSDAX-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN CC[C@@H](C)N1CCO[C@H](c2ccco2)C1 ZINC000181137082 538959946 /nfs/dbraw/zinc/95/99/46/538959946.db2.gz BLJODMSZHXJVIG-PWSUYJOCSA-N 0 1 209.289 2.451 20 0 BEADMN CSC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000600131286 342684664 /nfs/dbraw/zinc/68/46/64/342684664.db2.gz WWGDXFYNYYRRSA-MRVPVSSYSA-N 0 1 226.345 2.393 20 0 BEADMN Cc1cc(N[C@@H]2CC[C@H]2O)c2cc(F)ccc2n1 ZINC000335603191 136235464 /nfs/dbraw/zinc/23/54/64/136235464.db2.gz DHDIUFJLCRUFLR-TZMCWYRMSA-N 0 1 246.285 2.039 20 0 BEADMN C/C=C/CNCc1ccc(C(=O)OCC)o1 ZINC000600206483 342700485 /nfs/dbraw/zinc/70/04/85/342700485.db2.gz ZIQJZWKIGNERKA-HWKANZROSA-N 0 1 223.272 2.122 20 0 BEADMN CCC[N@@H+](CCCC(C)C)CC(=O)OC ZINC000166035981 361847133 /nfs/dbraw/zinc/84/71/33/361847133.db2.gz SWVAGOVGJXMDJC-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CCCN(CCCC(C)C)CC(=O)OC ZINC000166035981 361847137 /nfs/dbraw/zinc/84/71/37/361847137.db2.gz SWVAGOVGJXMDJC-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1ccc2nc(S[C@H]3CCOC3=O)[nH]c2c1 ZINC000004485961 342748360 /nfs/dbraw/zinc/74/83/60/342748360.db2.gz SPMSNQDVDBXXQZ-JTQLQIEISA-N 0 1 248.307 2.279 20 0 BEADMN CCCCOCCNCc1ccc(C)o1 ZINC000040506062 344001770 /nfs/dbraw/zinc/00/17/70/344001770.db2.gz IZSMQMWMPVKOMX-UHFFFAOYSA-N 0 1 211.305 2.494 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)[C@@H](C)CO1 ZINC000607724122 342780708 /nfs/dbraw/zinc/78/07/08/342780708.db2.gz FZMSBMZIQZEMSO-QWHCGFSZSA-N 0 1 248.370 2.362 20 0 BEADMN CCn1cncc1C[N@H+]1CCC[C@H](C)C1 ZINC000335614802 136237573 /nfs/dbraw/zinc/23/75/73/136237573.db2.gz QSJIZNLNASFPHK-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN CCCc1cc(C(=O)N(CC)CC(F)F)n[nH]1 ZINC000185847849 538971195 /nfs/dbraw/zinc/97/11/95/538971195.db2.gz FRNKWUOWUVMTJV-UHFFFAOYSA-N 0 1 245.273 2.089 20 0 BEADMN CC(C)[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC000630016668 361898045 /nfs/dbraw/zinc/89/80/45/361898045.db2.gz IYNNVTBLNXPTGI-AWEZNQCLSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cccc2c1CCN2C(=O)C[N@H+](C)C(C)C ZINC000126860246 342785937 /nfs/dbraw/zinc/78/59/37/342785937.db2.gz RBPRQTYQGJYPNW-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN Cc1cccc2c1CCN2C(=O)CN(C)C(C)C ZINC000126860246 342785938 /nfs/dbraw/zinc/78/59/38/342785938.db2.gz RBPRQTYQGJYPNW-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN Cc1noc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000607752813 342789379 /nfs/dbraw/zinc/78/93/79/342789379.db2.gz MEUVQVCKKOKOKZ-UJNFCWOMSA-N 0 1 221.304 2.027 20 0 BEADMN C[N@H+](CCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032102292 342797638 /nfs/dbraw/zinc/79/76/38/342797638.db2.gz HPMOUELQXJUANM-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000032102292 342797639 /nfs/dbraw/zinc/79/76/39/342797639.db2.gz HPMOUELQXJUANM-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CCC1CCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649490525 398287600 /nfs/dbraw/zinc/28/76/00/398287600.db2.gz IDPAAAIRSASSLT-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@]1(CNc2ncnc3[nH]cnc32)C[C@H]2C[C@H]2C1 ZINC000624656508 342810072 /nfs/dbraw/zinc/81/00/72/342810072.db2.gz RSMTXFJVWVATGY-WOFXILAISA-N 0 1 243.314 2.153 20 0 BEADMN c1nc2c(ncnc2NC[C@H]2CCCC23CC3)[nH]1 ZINC000624757529 342825573 /nfs/dbraw/zinc/82/55/73/342825573.db2.gz OQOUWRRNWLDLEK-SECBINFHSA-N 0 1 243.314 2.297 20 0 BEADMN CC1CCC(N(C)C(=O)CCc2cnc[nH]2)CC1 ZINC000188549663 538979329 /nfs/dbraw/zinc/97/93/29/538979329.db2.gz NMWIESHBLJEDCV-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN Clc1cnc(N2CC(N3CCCC3)C2)s1 ZINC000631353488 342824608 /nfs/dbraw/zinc/82/46/08/342824608.db2.gz ILPBCPFZFPRXDG-UHFFFAOYSA-N 0 1 243.763 2.081 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCCC2(F)F)CCO1 ZINC000380246003 538987726 /nfs/dbraw/zinc/98/77/26/538987726.db2.gz OFDMRYXRFMCTOM-BBBLOLIVSA-N 0 1 219.275 2.331 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000341797947 168398058 /nfs/dbraw/zinc/39/80/58/168398058.db2.gz WHKZQOSBUHBJCI-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000188846044 538979919 /nfs/dbraw/zinc/97/99/19/538979919.db2.gz HLGFNCSTBOFFKC-CMPLNLGQSA-N 0 1 235.331 2.037 20 0 BEADMN COCCOc1cccc(CN2CC3(CC3)C2)c1 ZINC000449370281 398291835 /nfs/dbraw/zinc/29/18/35/398291835.db2.gz JBIOMODYHKMCJG-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000189439312 538983074 /nfs/dbraw/zinc/98/30/74/538983074.db2.gz HSAQIBPBUMGZAY-YPMHNXCESA-N 0 1 247.342 2.133 20 0 BEADMN CC(C)[C@H](CO)CN[C@@H](C)c1cscn1 ZINC000380017428 538983767 /nfs/dbraw/zinc/98/37/67/538983767.db2.gz NKVACRHRYPWUFO-UWVGGRQHSA-N 0 1 228.361 2.058 20 0 BEADMN Cc1cc([C@H](C)NCC[C@H]2CCCO2)no1 ZINC000381436345 539000753 /nfs/dbraw/zinc/00/07/53/539000753.db2.gz CSTAMSCBWHAZNP-WDEREUQCSA-N 0 1 224.304 2.203 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000341680826 168398224 /nfs/dbraw/zinc/39/82/24/168398224.db2.gz GAIROGAYALBIKF-DGCLKSJQSA-N 0 1 240.391 2.269 20 0 BEADMN CC1(C)CN(C(=O)c2c(O)cccc2F)C1 ZINC000381795972 539007606 /nfs/dbraw/zinc/00/76/06/539007606.db2.gz OVARSYQPQNGPTN-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN c1nc(CNC[C@@H]2Cc3ccccc32)co1 ZINC000192307831 538994336 /nfs/dbraw/zinc/99/43/36/538994336.db2.gz QHVJGADVXHKNRC-NSHDSACASA-N 0 1 214.268 2.104 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnc(C)s2)[nH]n1 ZINC000381034130 538994536 /nfs/dbraw/zinc/99/45/36/538994536.db2.gz AYDUOHGYGISQFD-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc(CC(=O)Nc2csc(C)c2)n[nH]1 ZINC000634424703 361949163 /nfs/dbraw/zinc/94/91/63/361949163.db2.gz HBZUGZPQKFISNX-UHFFFAOYSA-N 0 1 235.312 2.269 20 0 BEADMN Cc1cc(C(=O)NCc2cn[nH]c2C)cs1 ZINC000381247281 538996514 /nfs/dbraw/zinc/99/65/14/538996514.db2.gz WSXYNJDRHBMEQR-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC000192865222 538998747 /nfs/dbraw/zinc/99/87/47/538998747.db2.gz YUMDTPXVKQSMRP-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC000192865233 538998890 /nfs/dbraw/zinc/99/88/90/538998890.db2.gz YUMDTPXVKQSMRP-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CS[C@H](C)C2)s1 ZINC000391837999 398296102 /nfs/dbraw/zinc/29/61/02/398296102.db2.gz UETAIDXGPXBIBA-BKPPORCPSA-N 0 1 243.401 2.391 20 0 BEADMN COC1(C[C@H](C)NCc2cocn2)CCC1 ZINC000390523950 539026104 /nfs/dbraw/zinc/02/61/04/539026104.db2.gz GDRSEVCGHKQSEF-JTQLQIEISA-N 0 1 224.304 2.112 20 0 BEADMN Cc1ccc(C(C)(C)NCc2cnn(C)c2)cn1 ZINC000353197281 178451562 /nfs/dbraw/zinc/45/15/62/178451562.db2.gz UANKZIXZHXRFKP-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(C)CCC2)[C@@H](C(=O)[O-])C1 ZINC000309733910 342839612 /nfs/dbraw/zinc/83/96/12/342839612.db2.gz FYCIQRZXACJJIF-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000335633745 136241624 /nfs/dbraw/zinc/24/16/24/136241624.db2.gz LNYFPZZREYYYLL-NWDGAFQWSA-N 0 1 223.316 2.181 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@@H]2C(C)C)s1 ZINC000389978029 539019448 /nfs/dbraw/zinc/01/94/48/539019448.db2.gz GTEZUGHRITWESP-ZJUUUORDSA-N 0 1 225.361 2.371 20 0 BEADMN CCC[C@@H](C)CCCN1CCN(C(C)=O)CC1 ZINC000625064620 342847180 /nfs/dbraw/zinc/84/71/80/342847180.db2.gz JRCGNLJDNYOZJC-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CC1(C)CCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000187804209 342851061 /nfs/dbraw/zinc/85/10/61/342851061.db2.gz VYBAUMMGOZYTQF-NSHDSACASA-N 0 1 236.315 2.047 20 0 BEADMN Clc1csc(N[C@@H]2CN3CCC2CC3)n1 ZINC000164974555 342861320 /nfs/dbraw/zinc/86/13/20/342861320.db2.gz QTMQIMFJNSHTRF-MRVPVSSYSA-N 0 1 243.763 2.303 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H](C(C)C)C1 ZINC000351253988 136244332 /nfs/dbraw/zinc/24/43/32/136244332.db2.gz ONHHSRLSCOOCBZ-CQSZACIVSA-N 0 1 243.391 2.406 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCCC(C)(C)C1 ZINC000625164846 342898735 /nfs/dbraw/zinc/89/87/35/342898735.db2.gz MHEPTCHEFIVMMW-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCC1(CC)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000336475777 398319719 /nfs/dbraw/zinc/31/97/19/398319719.db2.gz UVENGJATVDDTJM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232962216 342892331 /nfs/dbraw/zinc/89/23/31/342892331.db2.gz HFGNCWRZXYQKCM-GFCCVEGCSA-N 0 1 213.321 2.219 20 0 BEADMN COC1(C)CN(Cc2cccc3[nH]ccc32)C1 ZINC000336085078 398315213 /nfs/dbraw/zinc/31/52/13/398315213.db2.gz QWKKXEHQYATWKZ-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN COc1cncc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000625189211 342905196 /nfs/dbraw/zinc/90/51/96/342905196.db2.gz VUOURSTWTSDZAA-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1n[nH]cc1CN1CCOCC12CCCCC2 ZINC000336227913 398324090 /nfs/dbraw/zinc/32/40/90/398324090.db2.gz KIOVKFNEEZNDLE-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN O=C([O-])CCC[N@@H+](C1CC1)C1CCCC1 ZINC000116400135 342925758 /nfs/dbraw/zinc/92/57/58/342925758.db2.gz BDQYLAGZIZGXMO-UHFFFAOYSA-N 0 1 211.305 2.258 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233977787 342916119 /nfs/dbraw/zinc/91/61/19/342916119.db2.gz WHWDZJXUMOWURA-AAEUAGOBSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C1(C)CC1 ZINC000625218808 342918630 /nfs/dbraw/zinc/91/86/30/342918630.db2.gz ZWVVXIZIGBAJNZ-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ccc(CC[N@H+](C)[C@@H](C)CC(=O)[O-])cc1 ZINC000260155059 349648153 /nfs/dbraw/zinc/64/81/53/349648153.db2.gz RCFUJTUMSSLASJ-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN C[C@H]1CN(C[C@H]2CCCC(C)(C)C2)CC(=O)N1 ZINC000514652609 398327070 /nfs/dbraw/zinc/32/70/70/398327070.db2.gz GEMJJSOMHWVEBD-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCCC(C)(C)C2)CC(=O)N1 ZINC000514652607 398327240 /nfs/dbraw/zinc/32/72/40/398327240.db2.gz GEMJJSOMHWVEBD-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC1=NN(c2ncccn2)C(=O)[C@@H]1CC ZINC000634589894 342937069 /nfs/dbraw/zinc/93/70/69/342937069.db2.gz KXNMXZDGSWKWJR-SECBINFHSA-N 0 1 232.287 2.006 20 0 BEADMN C[C@H]1CCc2c(=O)n(CC(C)(C)C)[nH]c21 ZINC000634588371 342934115 /nfs/dbraw/zinc/93/41/15/342934115.db2.gz QHPFDPPMNBLFIG-IUCAKERBSA-N 0 1 208.305 2.277 20 0 BEADMN O=C1[C@H]2Cc3ccccc3C2=NN1C1CCCC1 ZINC000634588593 342934421 /nfs/dbraw/zinc/93/44/21/342934421.db2.gz YLQPGJCLRWRVJA-ZDUSSCGKSA-N 0 1 240.306 2.348 20 0 BEADMN CC[C@H](NCc1n[nH]c(C)n1)c1ccccc1F ZINC000392400881 398330146 /nfs/dbraw/zinc/33/01/46/398330146.db2.gz RLKPLPIPPKUIKM-LBPRGKRZSA-N 0 1 248.305 2.493 20 0 BEADMN CC[C@H](C)N(CC(=O)OC)C[C@@](C)(CC)OC ZINC000602647192 349657589 /nfs/dbraw/zinc/65/75/89/349657589.db2.gz IUFTZIFTDHDYHK-WCQYABFASA-N 0 1 245.363 2.075 20 0 BEADMN CCN(CCC1CC1)CC(=O)c1cccn1C ZINC000355069936 398338494 /nfs/dbraw/zinc/33/84/94/398338494.db2.gz SLLMWGNLRZCVJJ-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CCC(CC)(CC)[S@](=O)Cc1n[nH]c(C)n1 ZINC000427481712 398338798 /nfs/dbraw/zinc/33/87/98/398338798.db2.gz VQFTVRFMOFGZJE-MRXNPFEDSA-N 0 1 243.376 2.331 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCC2(CCCC2)C1 ZINC000336488538 398332826 /nfs/dbraw/zinc/33/28/26/398332826.db2.gz DOTPFKQQCOPUEM-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN COC[C@H](C)NCc1ccc(Cl)o1 ZINC000037487042 342938741 /nfs/dbraw/zinc/93/87/41/342938741.db2.gz BQWJTHQWAOQWEO-ZETCQYMHSA-N 0 1 203.669 2.058 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC(C)C)CC(=O)[O-] ZINC000037654586 342938970 /nfs/dbraw/zinc/93/89/70/342938970.db2.gz LCLWEHHFKGTMPB-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN COC(=O)C1(N(C)CC[C@@H](C)F)CCCC1 ZINC000351755364 136251551 /nfs/dbraw/zinc/25/15/51/136251551.db2.gz GBWGITNJCRPBEA-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591439 342942016 /nfs/dbraw/zinc/94/20/16/342942016.db2.gz DDHIQZUTEJPWKP-CMPLNLGQSA-N 0 1 243.310 2.216 20 0 BEADMN CCC1(CNC(=O)c2[nH]nc3c2CCC3)CCC1 ZINC000084282890 398342552 /nfs/dbraw/zinc/34/25/52/398342552.db2.gz YNFIURYHMZHCMW-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC000635650232 398344248 /nfs/dbraw/zinc/34/42/48/398344248.db2.gz WIYHWQHXBJARIN-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368851 398344565 /nfs/dbraw/zinc/34/45/65/398344565.db2.gz PHBCBQDQAVOUIL-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CCc3ccccc3)[nH]c21 ZINC000634592168 342945886 /nfs/dbraw/zinc/94/58/86/342945886.db2.gz AKRAYAMUWVXPNS-DGCLKSJQSA-N 0 1 242.322 2.473 20 0 BEADMN CCC[C@@H]1C[N@@H+](CC[C@H](C)F)CCO1 ZINC000351761872 136252313 /nfs/dbraw/zinc/25/23/13/136252313.db2.gz XXNIJIXHNRMAEF-WDEREUQCSA-N 0 1 203.301 2.235 20 0 BEADMN CCC[C@@H]1CN(CC[C@H](C)F)CCO1 ZINC000351761872 136252314 /nfs/dbraw/zinc/25/23/14/136252314.db2.gz XXNIJIXHNRMAEF-WDEREUQCSA-N 0 1 203.301 2.235 20 0 BEADMN C[C@H]1CC[C@H]2C(=O)N(c3ccc(Cl)cn3)N=C21 ZINC000634593226 342950863 /nfs/dbraw/zinc/95/08/63/342950863.db2.gz IRQPAUOLLWBMOI-IONNQARKSA-N 0 1 249.701 2.484 20 0 BEADMN COC(=O)C1([N@@H+](C)CCCCF)CCCC1 ZINC000351762054 136252762 /nfs/dbraw/zinc/25/27/62/136252762.db2.gz QTRBLJICOSUNNZ-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN CC(C)c1cc(CN[C@@H]2COC(C)(C)C2)on1 ZINC000669540455 488191288 /nfs/dbraw/zinc/19/12/88/488191288.db2.gz OTBWWXJEDXJRTN-JTQLQIEISA-N 0 1 238.331 2.455 20 0 BEADMN COC1CC(N(C)Cc2cnn(C(C)C)c2)C1 ZINC000348714087 536719962 /nfs/dbraw/zinc/71/99/62/536719962.db2.gz XWVVXXHFBWJZHT-UHFFFAOYSA-N 0 1 237.347 2.073 20 0 BEADMN COC1CC(N(C)Cc2ccnn2C(C)C)C1 ZINC000352200708 536717549 /nfs/dbraw/zinc/71/75/49/536717549.db2.gz BMFVFISEJYHMFB-UHFFFAOYSA-N 0 1 237.347 2.073 20 0 BEADMN C=CCCCCC[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000235085298 342969406 /nfs/dbraw/zinc/96/94/06/342969406.db2.gz XQELYRJQPMJESU-NSHDSACASA-N 0 1 213.321 2.385 20 0 BEADMN C[C@@H](C1CC1)N1N=C2c3ccccc3C[C@H]2C1=O ZINC000634597497 342974356 /nfs/dbraw/zinc/97/43/56/342974356.db2.gz LXNJGLAJQYUDKM-TVQRCGJNSA-N 0 1 240.306 2.204 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634597725 342975202 /nfs/dbraw/zinc/97/52/02/342975202.db2.gz SFOSUXQRRGVYDD-KHQFGBGNSA-N 0 1 206.289 2.029 20 0 BEADMN CCCC1=NN(c2ccncn2)C(=O)[C@H]1CC ZINC000634600543 342993068 /nfs/dbraw/zinc/99/30/68/342993068.db2.gz KTNKPXDRIXPXHU-VIFPVBQESA-N 0 1 232.287 2.006 20 0 BEADMN Cc1ccnc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)c1 ZINC000634600479 342993166 /nfs/dbraw/zinc/99/31/66/342993166.db2.gz IYDVBZWYOSZZRJ-VHSXEESVSA-N 0 1 229.283 2.139 20 0 BEADMN CC[C@@H]1C(=O)N(c2ccc(C)nn2)N=C1C(C)C ZINC000634600714 342993736 /nfs/dbraw/zinc/99/37/36/342993736.db2.gz QHSOSSNBVAVLMY-JTQLQIEISA-N 0 1 246.314 2.170 20 0 BEADMN Cc1ccnc(CN(C)[C@@H](C)C2CCC2)n1 ZINC000357046898 187213526 /nfs/dbraw/zinc/21/35/26/187213526.db2.gz YJBYLNGPULODFR-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)nc1 ZINC000634598369 342983166 /nfs/dbraw/zinc/98/31/66/342983166.db2.gz JDORODCZSIYSDL-UWVGGRQHSA-N 0 1 229.283 2.139 20 0 BEADMN CC(C)CN1CCOC[C@H]1c1cccn1C ZINC000162463628 349714272 /nfs/dbraw/zinc/71/42/72/349714272.db2.gz CCPHOKLEMYNDKT-ZDUSSCGKSA-N 0 1 222.332 2.054 20 0 BEADMN COCCc1cc(=O)n(C2CCCCCC2)[nH]1 ZINC000634602848 342998124 /nfs/dbraw/zinc/99/81/24/342998124.db2.gz GIRLFFSKYUJOEN-UHFFFAOYSA-N 0 1 238.331 2.334 20 0 BEADMN O=C1[C@@H]2CCCCC2=NN1c1ncccc1F ZINC000634605250 342999487 /nfs/dbraw/zinc/99/94/87/342999487.db2.gz FGYANBXBAMQQFS-MRVPVSSYSA-N 0 1 233.246 2.114 20 0 BEADMN CCC(CC)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634605745 343000335 /nfs/dbraw/zinc/00/03/35/343000335.db2.gz VQUNNOBLZSDWJG-PSASIEDQSA-N 0 1 208.305 2.419 20 0 BEADMN CCC(CC)n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634605747 343000381 /nfs/dbraw/zinc/00/03/81/343000381.db2.gz VQUNNOBLZSDWJG-WCBMZHEXSA-N 0 1 208.305 2.419 20 0 BEADMN CCN(C#N)CCN[C@H](C)c1ccccc1OC ZINC000602802591 349742858 /nfs/dbraw/zinc/74/28/58/349742858.db2.gz QVYFCMXDPXEKMT-GFCCVEGCSA-N 0 1 247.342 2.149 20 0 BEADMN Cc1cnccc1N1N=C2CCCC[C@H]2C1=O ZINC000634605981 343001087 /nfs/dbraw/zinc/00/10/87/343001087.db2.gz DBBXDVCYXFCCGY-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000634605981 343001089 /nfs/dbraw/zinc/00/10/89/343001089.db2.gz DBBXDVCYXFCCGY-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634605906 343001130 /nfs/dbraw/zinc/00/11/30/343001130.db2.gz BCMMKJKFRXADFQ-WPRPVWTQSA-N 0 1 229.283 2.139 20 0 BEADMN CCN(C#N)CCN(C)CCc1cccs1 ZINC000602779957 349745896 /nfs/dbraw/zinc/74/58/96/349745896.db2.gz CXPQZPSOHNDPEZ-UHFFFAOYSA-N 0 1 237.372 2.025 20 0 BEADMN CCCCC1=NN([C@H](C)COC)C(=O)[C@H]1C ZINC000634610961 343005361 /nfs/dbraw/zinc/00/53/61/343005361.db2.gz KLYUWIJFEUPAGX-ZJUUUORDSA-N 0 1 226.320 2.046 20 0 BEADMN CCCCc1[nH]n([C@H](C)COC)c(=O)c1C ZINC000634610961 343005362 /nfs/dbraw/zinc/00/53/62/343005362.db2.gz KLYUWIJFEUPAGX-ZJUUUORDSA-N 0 1 226.320 2.046 20 0 BEADMN CCCCC1=NN([C@@H](C)COC)C(=O)[C@@H]1C ZINC000634610960 343005492 /nfs/dbraw/zinc/00/54/92/343005492.db2.gz KLYUWIJFEUPAGX-VHSXEESVSA-N 0 1 226.320 2.046 20 0 BEADMN CCCCc1[nH]n([C@@H](C)COC)c(=O)c1C ZINC000634610960 343005494 /nfs/dbraw/zinc/00/54/94/343005494.db2.gz KLYUWIJFEUPAGX-VHSXEESVSA-N 0 1 226.320 2.046 20 0 BEADMN Cc1cc(=O)n(-c2cc(C)ccc2F)[nH]1 ZINC000634610749 343007090 /nfs/dbraw/zinc/00/70/90/343007090.db2.gz FHOVFEOWPDNKDU-UHFFFAOYSA-N 0 1 206.220 2.247 20 0 BEADMN CC(C)(C)OC(=O)[C@H](C1CC1)N1CCCC1 ZINC000602758969 349732708 /nfs/dbraw/zinc/73/27/08/349732708.db2.gz IMPXFAYJTLTVGA-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN CCN(Cc1cccs1)[C@@H](C)C(=O)N(C)C ZINC000176676752 346915018 /nfs/dbraw/zinc/91/50/18/346915018.db2.gz FHGWGKVRVBUFNO-JTQLQIEISA-N 0 1 240.372 2.047 20 0 BEADMN CCN(C#N)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000602761144 349733408 /nfs/dbraw/zinc/73/34/08/349733408.db2.gz ROWIFNZRVFTCJL-UHFFFAOYSA-N 0 1 231.343 2.230 20 0 BEADMN CCN(C#N)CCN(C)Cc1ccc(C)cc1 ZINC000602761144 349733412 /nfs/dbraw/zinc/73/34/12/349733412.db2.gz ROWIFNZRVFTCJL-UHFFFAOYSA-N 0 1 231.343 2.230 20 0 BEADMN CCN(C#N)CCN(C)[C@@H]1CCc2ccccc21 ZINC000602763245 349733507 /nfs/dbraw/zinc/73/35/07/349733507.db2.gz PJHUUDRWAYGDHU-OAHLLOKOSA-N 0 1 243.354 2.409 20 0 BEADMN C[N@@H+](CCC1CC1)C1(C(=O)[O-])CCCC1 ZINC000309115017 259341966 /nfs/dbraw/zinc/34/19/66/259341966.db2.gz QGCSPXILSXGWRJ-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN COc1cc(F)cc(-n2[nH]c(C3CC3)cc2=O)c1 ZINC000634618061 343016117 /nfs/dbraw/zinc/01/61/17/343016117.db2.gz FOZVCGIYTRXOMV-UHFFFAOYSA-N 0 1 248.257 2.337 20 0 BEADMN CCc1[nH]n(-c2ccc3n[nH]cc3c2)c(=O)c1C ZINC000634620544 343019652 /nfs/dbraw/zinc/01/96/52/343019652.db2.gz HOJRYQDPJZEXAX-MRVPVSSYSA-N 0 1 242.282 2.312 20 0 BEADMN CC(C)(C)CCn1[nH]c2c(c1=O)CCC2 ZINC000634621078 343020133 /nfs/dbraw/zinc/02/01/33/343020133.db2.gz YZCABRTZCVSBRQ-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN COc1cc(F)ccc1N1N=C2CCC[C@@H]2C1=O ZINC000634624796 343026271 /nfs/dbraw/zinc/02/62/71/343026271.db2.gz QQVLLBBNOOIUQJ-VIFPVBQESA-N 0 1 248.257 2.337 20 0 BEADMN COc1cc(F)ccc1-n1[nH]c2c(c1=O)CCC2 ZINC000634624796 343026272 /nfs/dbraw/zinc/02/62/72/343026272.db2.gz QQVLLBBNOOIUQJ-VIFPVBQESA-N 0 1 248.257 2.337 20 0 BEADMN CCc1cc(=O)n([C@H](C)COc2ccccc2)[nH]1 ZINC000634629625 343031580 /nfs/dbraw/zinc/03/15/80/343031580.db2.gz YFSPHHZQKBZFCO-LLVKDONJSA-N 0 1 246.310 2.452 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCOC2(CCC2)C1 ZINC000373590478 187223872 /nfs/dbraw/zinc/22/38/72/187223872.db2.gz BEASKDBNOYMUES-CYBMUJFWSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@@H]2CCSC2)[nH]1 ZINC000634627557 343033663 /nfs/dbraw/zinc/03/36/63/343033663.db2.gz FRVSIVJFOSNDJX-DTWKUNHWSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1cc(=O)n([C@H](C)c2ccncc2)[nH]1 ZINC000634626971 343036498 /nfs/dbraw/zinc/03/64/98/343036498.db2.gz RASUSNPKMCZWQP-SECBINFHSA-N 0 1 217.272 2.141 20 0 BEADMN CC(C)c1cc(=O)n([C@H](C)c2ccncc2)[nH]1 ZINC000634627070 343036963 /nfs/dbraw/zinc/03/69/63/343036963.db2.gz USRJRRVPALBXGR-SNVBAGLBSA-N 0 1 231.299 2.387 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C)c2)C[C@@H](C)C1(F)F ZINC000625647695 344025002 /nfs/dbraw/zinc/02/50/02/344025002.db2.gz GQTMNXUZJURLCE-NXEZZACHSA-N 0 1 243.301 2.143 20 0 BEADMN C[C@@H]1C[NH+](Cc2c[nH]cn2)C[C@@H](C)C1(F)F ZINC000625656006 344025502 /nfs/dbraw/zinc/02/55/02/344025502.db2.gz YKXNODSSSLEMOC-RKDXNWHRSA-N 0 1 229.274 2.133 20 0 BEADMN CCOC(=O)C[N@@H+](CCSC)C1CCCC1 ZINC000175590868 343063762 /nfs/dbraw/zinc/06/37/62/343063762.db2.gz ZFTNQVLPGOAFDA-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CCOC(=O)CN(CCSC)C1CCCC1 ZINC000175590868 343063765 /nfs/dbraw/zinc/06/37/65/343063765.db2.gz ZFTNQVLPGOAFDA-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@H]2C)n1C ZINC000247100737 343068562 /nfs/dbraw/zinc/06/85/62/343068562.db2.gz XWSZTUKASQHATP-WDEREUQCSA-N 0 1 236.363 2.134 20 0 BEADMN CCN(Cc1nncn1C)[C@@H]1CCCC[C@@H]1C ZINC000120087032 343107673 /nfs/dbraw/zinc/10/76/73/343107673.db2.gz YUTDSASOEGCKLK-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN CNC(C)(C)c1cn([C@H](C)c2ccccc2)nn1 ZINC000640848890 362063607 /nfs/dbraw/zinc/06/36/07/362063607.db2.gz SCJBGQAQDPMOEE-LLVKDONJSA-N 0 1 244.342 2.342 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2ccc(F)cc2)nn1 ZINC000640846603 362063903 /nfs/dbraw/zinc/06/39/03/362063903.db2.gz BYODKBQGUHONJB-VHSXEESVSA-N 0 1 248.305 2.307 20 0 BEADMN CCNCc1cn([C@@H](C)c2ccc(F)cc2)nn1 ZINC000640849098 362064154 /nfs/dbraw/zinc/06/41/54/362064154.db2.gz ZGQDUHHHFOJYAH-JTQLQIEISA-N 0 1 248.305 2.136 20 0 BEADMN CC(C)=CCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640846141 362065152 /nfs/dbraw/zinc/06/51/52/362065152.db2.gz HSEOEXQLPWERDJ-AWEZNQCLSA-N 0 1 242.326 2.292 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1scnc1C1CC1 ZINC000309913429 343094757 /nfs/dbraw/zinc/09/47/57/343094757.db2.gz OBTXAVWCNGUBEO-VHSXEESVSA-N 0 1 238.356 2.288 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1cc(C)no1 ZINC000042147518 343117556 /nfs/dbraw/zinc/11/75/56/343117556.db2.gz YHEJSNJEIDZYIJ-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN CN(C)[C@@H](CNc1ccccn1)c1ccco1 ZINC000067949198 362101841 /nfs/dbraw/zinc/10/18/41/362101841.db2.gz HUJHOUOIAAOBCC-NSHDSACASA-N 0 1 231.299 2.389 20 0 BEADMN CNCc1cn([C@@H](C)CCc2ccccc2)nn1 ZINC000640986717 362103264 /nfs/dbraw/zinc/10/32/64/362103264.db2.gz IDNDOLAYPYXNDB-LBPRGKRZSA-N 0 1 244.342 2.191 20 0 BEADMN CC[C@H](C)n1cc([C@@H](N)c2ccccc2)nn1 ZINC000640939585 362078264 /nfs/dbraw/zinc/07/82/64/362078264.db2.gz TXQVNRFHFNXESH-GWCFXTLKSA-N 0 1 230.315 2.297 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(F)ccc1F ZINC000309977363 343124540 /nfs/dbraw/zinc/12/45/40/343124540.db2.gz UHBMRMCEVQRIOO-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN OCC1(NCc2ncccc2Cl)CCCC1 ZINC000625259477 343128492 /nfs/dbraw/zinc/12/84/92/343128492.db2.gz JVIZNPICOXYNBV-UHFFFAOYSA-N 0 1 240.734 2.130 20 0 BEADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1nncn1C ZINC000120780127 343134376 /nfs/dbraw/zinc/13/43/76/343134376.db2.gz JIGBYNNYYKXJJC-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CCc1cc(C(=O)N(CC)[C@@H](C)C(C)C)n[nH]1 ZINC000576907437 365718841 /nfs/dbraw/zinc/71/88/41/365718841.db2.gz GCDOFMIRYJLMPY-JTQLQIEISA-N 0 1 237.347 2.479 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000129520455 343177931 /nfs/dbraw/zinc/17/79/31/343177931.db2.gz UEELTIUGTRRHPJ-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@H]1C[N@H+](Cc2occc2C(=O)[O-])CC[C@@H]1C ZINC000130276332 343180585 /nfs/dbraw/zinc/18/05/85/343180585.db2.gz UIWRDRMLEBNSNS-UWVGGRQHSA-N 0 1 237.299 2.456 20 0 BEADMN CSc1ccc([C@@H](C)NCc2c[nH]nn2)cc1 ZINC000295486401 187241564 /nfs/dbraw/zinc/24/15/64/187241564.db2.gz ZAAHVNMLLYNSIC-SECBINFHSA-N 0 1 248.355 2.377 20 0 BEADMN CC[C@H](C)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000050426993 343153048 /nfs/dbraw/zinc/15/30/48/343153048.db2.gz SCSLUCOSIKNJOX-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000097065304 343155266 /nfs/dbraw/zinc/15/52/66/343155266.db2.gz QYQIBRJLNYPTTJ-KOLCDFICSA-N 0 1 249.314 2.013 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000122134205 343158229 /nfs/dbraw/zinc/15/82/29/343158229.db2.gz GVNPENYOVPLUKQ-AWEZNQCLSA-N 0 1 247.338 2.416 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000129318699 343176723 /nfs/dbraw/zinc/17/67/23/343176723.db2.gz CYNPPSLGCWAYBW-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000158008379 343200344 /nfs/dbraw/zinc/20/03/44/343200344.db2.gz FDQQJJQAPUDDQD-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN C[N@@H+](CCOc1ccccc1C(=O)[O-])C1CCC1 ZINC000159354583 343201998 /nfs/dbraw/zinc/20/19/98/343201998.db2.gz ATHKNVIXZSKWHG-UHFFFAOYSA-N 0 1 249.310 2.248 20 0 BEADMN Cc1nc2c(n1CC1CCOCC1)CCCC2 ZINC000160732669 343203446 /nfs/dbraw/zinc/20/34/46/343203446.db2.gz VPCQXDXJMHGCBR-UHFFFAOYSA-N 0 1 234.343 2.497 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ncccc1C ZINC000161042620 343204035 /nfs/dbraw/zinc/20/40/35/343204035.db2.gz DQKOZSABJZEGQC-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000165522148 343211677 /nfs/dbraw/zinc/21/16/77/343211677.db2.gz GHNZSTCZVWOQHN-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000133102972 343190034 /nfs/dbraw/zinc/19/00/34/343190034.db2.gz BRRZMBLZICIHDR-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@H](N(C)C(=O)c1ccnc(CN)c1)C(C)(C)C ZINC000135368429 343192897 /nfs/dbraw/zinc/19/28/97/343192897.db2.gz PIZHBSIRBYNSKQ-JTQLQIEISA-N 0 1 249.358 2.047 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000135553838 343193360 /nfs/dbraw/zinc/19/33/60/343193360.db2.gz DWMVZJWVBBJENG-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN CCc1cc(C(=O)N(C)C2CCCCC2)n[nH]1 ZINC000032314004 343232023 /nfs/dbraw/zinc/23/20/23/343232023.db2.gz JEGXFRQKZYERJD-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](C)C1 ZINC000082777162 136277170 /nfs/dbraw/zinc/27/71/70/136277170.db2.gz RUDIPSKEEWHZES-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN CCc1nc(CN[C@H]2CCOC2(C)C)cs1 ZINC000336899525 136278470 /nfs/dbraw/zinc/27/84/70/136278470.db2.gz RGZPJOROAYONPP-JTQLQIEISA-N 0 1 240.372 2.363 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)CC2CC2)c1 ZINC000272666919 187337337 /nfs/dbraw/zinc/33/73/37/187337337.db2.gz JGYYTVCILOSVNM-UHFFFAOYSA-N 0 1 233.267 2.333 20 0 BEADMN C[C@H](CO)NCc1c(Cl)cccc1Cl ZINC000035602595 343299215 /nfs/dbraw/zinc/29/92/15/343299215.db2.gz GXCMVNJJXCKUSI-SSDOTTSWSA-N 0 1 234.126 2.464 20 0 BEADMN CCCN(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000335607056 136294556 /nfs/dbraw/zinc/29/45/56/136294556.db2.gz NWZRFWKXERDLRI-UHFFFAOYSA-N 0 1 235.262 2.184 20 0 BEADMN Cc1csc(CNC[C@H](O)c2ccccc2)n1 ZINC000038091490 343370930 /nfs/dbraw/zinc/37/09/30/343370930.db2.gz DKAZEXJTWKMQHA-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN CCOc1cccc(CNCc2cnn(C)c2)c1 ZINC000037679430 343351307 /nfs/dbraw/zinc/35/13/07/343351307.db2.gz QDVFZERLCJTRHO-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CCc1cccc(Cn2cc([C@H](C)NC)nn2)c1 ZINC000641067455 362178252 /nfs/dbraw/zinc/17/82/52/362178252.db2.gz ZRDZRWXNQRPSHV-NSHDSACASA-N 0 1 244.342 2.169 20 0 BEADMN CNC(C)(C)c1cn(CC2CC(C)(C)C2)nn1 ZINC000641068773 362178389 /nfs/dbraw/zinc/17/83/89/362178389.db2.gz IPZNEOLPPPJKDV-UHFFFAOYSA-N 0 1 236.363 2.169 20 0 BEADMN CCCCOCCN(C)[C@@H](C)c1cnn(C)c1 ZINC000348928510 136309767 /nfs/dbraw/zinc/30/97/67/136309767.db2.gz RPAGXIVYQMUGOP-LBPRGKRZSA-N 0 1 239.363 2.230 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000335667190 136311774 /nfs/dbraw/zinc/31/17/74/136311774.db2.gz HBKSOSUCMDHJAY-GHMZBOCLSA-N 0 1 219.332 2.263 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nnc(C)s1 ZINC000335669966 136312972 /nfs/dbraw/zinc/31/29/72/136312972.db2.gz YUDQAXGTVWNHGZ-WCBMZHEXSA-N 0 1 225.361 2.467 20 0 BEADMN CNCc1cn([C@H]2C=CCCCCC2)nn1 ZINC000641076040 362184980 /nfs/dbraw/zinc/18/49/80/362184980.db2.gz QSGLZNGCZRNCAT-LBPRGKRZSA-N 0 1 220.320 2.059 20 0 BEADMN CCc1ccc(CCN2CCOCC2)cc1 ZINC000039102121 343384397 /nfs/dbraw/zinc/38/43/97/343384397.db2.gz ZQTNLWUYFOGYBZ-UHFFFAOYSA-N 0 1 219.328 2.124 20 0 BEADMN C/C=C/C[C@@H](CO)N[C@@H](C)c1cscn1 ZINC000274678518 187338102 /nfs/dbraw/zinc/33/81/02/187338102.db2.gz ZPCUDEKKLASQIX-OHINUGQQSA-N 0 1 226.345 2.121 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H]2C)c1 ZINC000634692285 343393115 /nfs/dbraw/zinc/39/31/15/343393115.db2.gz XPSKYLFRSQYZAU-GWCFXTLKSA-N 0 1 249.310 2.305 20 0 BEADMN CC(C)(C)[C@H]1CCCN1Cc1ncccn1 ZINC000335691794 136325413 /nfs/dbraw/zinc/32/54/13/136325413.db2.gz GDKLYJJOZHCPNC-LLVKDONJSA-N 0 1 219.332 2.487 20 0 BEADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cncn1C ZINC000335696919 136327379 /nfs/dbraw/zinc/32/73/79/136327379.db2.gz JNCAHJBKZKXYDI-NSHDSACASA-N 0 1 219.332 2.185 20 0 BEADMN C[C@@H]1CC[S@](=O)CC[N@H+]1CC1CCCCC1 ZINC000335697657 136327390 /nfs/dbraw/zinc/32/73/90/136327390.db2.gz XEQNSITWBDOVHG-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)(C)[C@H]1CN(CC2=CCCOC2)CCO1 ZINC000335698467 136327702 /nfs/dbraw/zinc/32/77/02/136327702.db2.gz QQMVHYKKKJIZKZ-CYBMUJFWSA-N 0 1 239.359 2.080 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C ZINC000335698239 136327988 /nfs/dbraw/zinc/32/79/88/136327988.db2.gz NGNBXHHREOXKME-CHWSQXEVSA-N 0 1 238.375 2.262 20 0 BEADMN Cc1cc(C(=O)N(C)C[C@H]2CC=CCC2)n[nH]1 ZINC000335699209 136328238 /nfs/dbraw/zinc/32/82/38/136328238.db2.gz ACDJLECXFSRASP-NSHDSACASA-N 0 1 233.315 2.146 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)CO2 ZINC000335700007 136328311 /nfs/dbraw/zinc/32/83/11/136328311.db2.gz NCPXTTMETPMNCT-LBPRGKRZSA-N 0 1 232.258 2.377 20 0 BEADMN Cc1nc2cc(NCC3(C)COC3)ccc2n1C ZINC000335834394 136353274 /nfs/dbraw/zinc/35/32/74/136353274.db2.gz MHLQUNHVTMMGRB-UHFFFAOYSA-N 0 1 245.326 2.330 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H]2CCCC[C@@H]2C)nn1 ZINC000641087305 362209079 /nfs/dbraw/zinc/20/90/79/362209079.db2.gz CPLXJIZLMGZYHM-TUAOUCFPSA-N 0 1 236.363 2.385 20 0 BEADMN C[C@H]1CCCC[C@H]1Cn1cc(CNC2CC2)nn1 ZINC000641088121 362211584 /nfs/dbraw/zinc/21/15/84/362211584.db2.gz LDLKCJMLZCZVCP-RYUDHWBXSA-N 0 1 248.374 2.356 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC2(C)C)c1C ZINC000335685025 136329907 /nfs/dbraw/zinc/32/99/07/136329907.db2.gz PARDFMOKGJHUOT-SNVBAGLBSA-N 0 1 235.331 2.335 20 0 BEADMN COC(=O)[C@H](C)CN(C)Cc1ccccc1F ZINC000042207293 343431213 /nfs/dbraw/zinc/43/12/13/343431213.db2.gz MKPLATNKACGESF-SNVBAGLBSA-N 0 1 239.290 2.067 20 0 BEADMN Cc1cccc(CN2C[C@@H](F)C[C@H]2CO)c1C ZINC000335704682 136335297 /nfs/dbraw/zinc/33/52/97/136335297.db2.gz ZGQVVTYMVSVJIS-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)CC2(C)C)nn1 ZINC000335712529 136337803 /nfs/dbraw/zinc/33/78/03/136337803.db2.gz XHCSSKADZCTLAJ-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1cccs1 ZINC000042384128 343435927 /nfs/dbraw/zinc/43/59/27/343435927.db2.gz RWIARWRZLSSBAL-JTQLQIEISA-N 0 1 247.323 2.449 20 0 BEADMN CCN(CC(=O)NC1(C)CCCCC1)C1CC1 ZINC000349331002 136342192 /nfs/dbraw/zinc/34/21/92/136342192.db2.gz XVNWNTSSEOOHTI-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CNCc1cn(CC[C@@H]2CCC[C@H](C)C2)nn1 ZINC000641142251 362238399 /nfs/dbraw/zinc/23/83/99/362238399.db2.gz SXJJPGVWZUGNJW-RYUDHWBXSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335842934 136354541 /nfs/dbraw/zinc/35/45/41/136354541.db2.gz FRSVHNFYJGOAIT-CMPLNLGQSA-N 0 1 247.342 2.162 20 0 BEADMN CC(C)c1nc(CN2CCC23CCC3)n[nH]1 ZINC000335879402 136356502 /nfs/dbraw/zinc/35/65/02/136356502.db2.gz YNGYOFHVIPEKOT-UHFFFAOYSA-N 0 1 220.320 2.057 20 0 BEADMN Cc1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000335889208 136358395 /nfs/dbraw/zinc/35/83/95/136358395.db2.gz CWUAJABHCMBUOC-UHFFFAOYSA-N 0 1 229.283 2.383 20 0 BEADMN c1ccc([C@@H]2COCCN2C[C@H]2CCOC2)cc1 ZINC000335896768 136359363 /nfs/dbraw/zinc/35/93/63/136359363.db2.gz LUSUEYHIHMRMCG-HIFRSBDPSA-N 0 1 247.338 2.096 20 0 BEADMN Cc1nnc([C@H](C)NC2(C3CC3)CC2)s1 ZINC000308929369 346940826 /nfs/dbraw/zinc/94/08/26/346940826.db2.gz DVSMTVYTQMHSFQ-ZETCQYMHSA-N 0 1 223.345 2.440 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCc2cccnc2)n1 ZINC000351063630 136367249 /nfs/dbraw/zinc/36/72/49/136367249.db2.gz NCDHSWMSAGVUJX-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCc2ccncc2)n1 ZINC000351575697 136369232 /nfs/dbraw/zinc/36/92/32/136369232.db2.gz TYGFOPUDWMDKNQ-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN CC[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000082501610 343442987 /nfs/dbraw/zinc/44/29/87/343442987.db2.gz VYJBLARJTNJLIV-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN Cc1csc(CN[C@@H]2COC(C)(C)C2)n1 ZINC000335656170 136376269 /nfs/dbraw/zinc/37/62/69/136376269.db2.gz JABVCMKWVNTJJZ-VIFPVBQESA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccc([C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044116819 343492140 /nfs/dbraw/zinc/49/21/40/343492140.db2.gz JHMZZTIILPJORG-VNHYZAJKSA-N 0 1 249.354 2.138 20 0 BEADMN CC1CCC([N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083662612 343494600 /nfs/dbraw/zinc/49/46/00/343494600.db2.gz VXPLGOZGSOVQDI-UHFFFAOYSA-N 0 1 211.305 2.114 20 0 BEADMN CC[C@@H](O)CCCNCc1ncc(Cl)s1 ZINC000308966656 346944178 /nfs/dbraw/zinc/94/41/78/346944178.db2.gz WFVVTBIQGFGLJR-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1ccc(C[N@@H+](C)CC(=O)[O-])cc1Cl ZINC000234277769 187262796 /nfs/dbraw/zinc/26/27/96/187262796.db2.gz YKFHDEMJGZBKPA-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN Cc1nc(C)c(C[N@H+](CC(=O)[O-])C(C)C)s1 ZINC000084149074 343521107 /nfs/dbraw/zinc/52/11/07/343521107.db2.gz JIBXEWSEFBECTF-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN CC(C)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000045428231 343529359 /nfs/dbraw/zinc/52/93/59/343529359.db2.gz GBUWRPRSKVMCBE-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@]1(C)C(=O)[O-] ZINC000634693751 343539259 /nfs/dbraw/zinc/53/92/59/343539259.db2.gz WVPANJMDRIIQBH-QMTHXVAHSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCC2)C[C@@]1(C)C(=O)[O-] ZINC000634693713 343540496 /nfs/dbraw/zinc/54/04/96/343540496.db2.gz TYWYJFDLVOZVHI-ZWNOBZJWSA-N 0 1 225.332 2.219 20 0 BEADMN CCC[C@](C)(CC)C(=O)N(C)CC1CN(C)C1 ZINC000618190338 343547818 /nfs/dbraw/zinc/54/78/18/343547818.db2.gz OIPLNMGUQUXCPM-AWEZNQCLSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)N1CCOc2c(F)cccc2C1 ZINC000335859188 344034215 /nfs/dbraw/zinc/03/42/15/344034215.db2.gz CGQYPPSZJLNLKM-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCC2CCC2)C1 ZINC000398722450 488223231 /nfs/dbraw/zinc/22/32/31/488223231.db2.gz JBROVVZAAFNTQB-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CCCCN(CC(N)=O)Cc1cc(C)cc(C)c1 ZINC000048048560 343570300 /nfs/dbraw/zinc/57/03/00/343570300.db2.gz XWDCPQNNLXWRSU-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN CC(C)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000280261545 187341831 /nfs/dbraw/zinc/34/18/31/187341831.db2.gz ZZXPLWNPTBFUAV-UHFFFAOYSA-N 0 1 217.272 2.043 20 0 BEADMN CC[N@@H+](CC(N)=O)[C@@H](C)c1cc2ccccc2o1 ZINC000049000697 343591378 /nfs/dbraw/zinc/59/13/78/343591378.db2.gz DOSUHZQFNSTEEM-JTQLQIEISA-N 0 1 246.310 2.301 20 0 BEADMN CCN(CC(N)=O)[C@@H](C)c1cc2ccccc2o1 ZINC000049000697 343591380 /nfs/dbraw/zinc/59/13/80/343591380.db2.gz DOSUHZQFNSTEEM-JTQLQIEISA-N 0 1 246.310 2.301 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178123522 346947392 /nfs/dbraw/zinc/94/73/92/346947392.db2.gz UCEODKGDFYMXNB-LLVKDONJSA-N 0 1 244.338 2.297 20 0 BEADMN CC[C@@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000178123522 346947396 /nfs/dbraw/zinc/94/73/96/346947396.db2.gz UCEODKGDFYMXNB-LLVKDONJSA-N 0 1 244.338 2.297 20 0 BEADMN Cc1nnc([C@H](C)NCC2(C)CCC2)o1 ZINC000379995684 365786655 /nfs/dbraw/zinc/78/66/55/365786655.db2.gz IFXJBOVEEDQXGF-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1(C(=O)[O-])CC1)C(C)(C)C ZINC000634697574 343644586 /nfs/dbraw/zinc/64/45/86/343644586.db2.gz MLQLWEPRGZVABA-JTQLQIEISA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@H](CCO)CNc1cccc(C)n1 ZINC000087371038 343646085 /nfs/dbraw/zinc/64/60/85/343646085.db2.gz XLGCSGWMWGQTMN-LLVKDONJSA-N 0 1 208.305 2.211 20 0 BEADMN CC(C)CO[C@H](C)c1nc(C2(N)CCC2)no1 ZINC000570279120 323054843 /nfs/dbraw/zinc/05/48/43/323054843.db2.gz FVLJJXCLRXCTGU-SECBINFHSA-N 0 1 239.319 2.141 20 0 BEADMN CCN(Cc1cnc(Cl)s1)CC(C)(C)O ZINC000086777007 343628362 /nfs/dbraw/zinc/62/83/62/343628362.db2.gz LVNCVTXXMHTBQW-UHFFFAOYSA-N 0 1 248.779 2.389 20 0 BEADMN C[C@H]1CCC[C@H](CCN2CCn3nncc3C2)C1 ZINC000580580247 365790244 /nfs/dbraw/zinc/79/02/44/365790244.db2.gz DUVYQVQRMIRPPP-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN CCc1nc(CN[C@@H]2CCCC[C@H]2O)cs1 ZINC000052015353 343630984 /nfs/dbraw/zinc/63/09/84/343630984.db2.gz HEDNWEFKODYRME-GHMZBOCLSA-N 0 1 240.372 2.099 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CCc1ccccc1 ZINC000634696636 343633825 /nfs/dbraw/zinc/63/38/25/343633825.db2.gz GQISXUYZPCRHBE-UHFFFAOYSA-N 0 1 245.322 2.311 20 0 BEADMN Cc1cc(C(=O)N2CCCCCCC2)n[nH]1 ZINC000054060658 343654704 /nfs/dbraw/zinc/65/47/04/343654704.db2.gz TXUBNHLBIOAPCJ-UHFFFAOYSA-N 0 1 221.304 2.124 20 0 BEADMN Cc1ccc(F)c(CN(CCCO)C2CC2)c1 ZINC000678264262 488229705 /nfs/dbraw/zinc/22/97/05/488229705.db2.gz SELABZRHNBQMBJ-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN COC(=O)C12CCC(CC1)N2[C@H]1C=CCCC1 ZINC000602984932 349836906 /nfs/dbraw/zinc/83/69/06/349836906.db2.gz FFYJQYGQLFYTAW-DCBWTQNWSA-N 0 1 235.327 2.265 20 0 BEADMN CC=CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000048322533 187269572 /nfs/dbraw/zinc/26/95/72/187269572.db2.gz RNKUEHCHNOGMJC-SWTNXBIASA-N 0 1 229.283 2.316 20 0 BEADMN CC(C)(C)OC(=O)CN1CCC[C@H]1C1CC1 ZINC000363387113 187270270 /nfs/dbraw/zinc/27/02/70/187270270.db2.gz ZGYYWFFWOWSXDL-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CO[C@@H](C)C2)cs1 ZINC000402121476 349850562 /nfs/dbraw/zinc/85/05/62/349850562.db2.gz GVRMQKDRPGJLNA-OYNCUSHFSA-N 0 1 226.345 2.280 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000232762197 537806427 /nfs/dbraw/zinc/80/64/27/537806427.db2.gz HESJFGQRQSVAHD-VXGBXAGGSA-N 0 1 238.331 2.276 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000003750166 343771629 /nfs/dbraw/zinc/77/16/29/343771629.db2.gz FIVHGQFGBVYCML-JTQLQIEISA-N 0 1 239.340 2.353 20 0 BEADMN C[C@H](NCCC(C)(C)O)c1c(F)cncc1F ZINC000353203297 187348256 /nfs/dbraw/zinc/34/82/56/187348256.db2.gz LTFMECPGQRMSFQ-QMMMGPOBSA-N 0 1 244.285 2.171 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCN1C)C1CCCCC1 ZINC000128057849 343757116 /nfs/dbraw/zinc/75/71/16/343757116.db2.gz JVXZYXMLEAVDHT-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN COc1cncc(CN2CCC(C3CC3)CC2)n1 ZINC000625444846 343765982 /nfs/dbraw/zinc/76/59/82/343765982.db2.gz HAWLGOIDTVXVQY-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1cc(CC(=O)NCCC(C)(C)C2CC2)[nH]n1 ZINC000294230068 187350248 /nfs/dbraw/zinc/35/02/48/187350248.db2.gz RJWCNPRKDQYZMM-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN OCc1ccc(CN2CC(C3CCC3)C2)o1 ZINC000570436864 323059406 /nfs/dbraw/zinc/05/94/06/323059406.db2.gz GDPWGZLUPJEUMA-UHFFFAOYSA-N 0 1 221.300 2.004 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)C1CCCC1 ZINC000295592105 187351408 /nfs/dbraw/zinc/35/14/08/187351408.db2.gz FGLAQWLIRVGKOM-CQSZACIVSA-N 0 1 246.354 2.396 20 0 BEADMN C=Cn1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cn1 ZINC000295007017 187350928 /nfs/dbraw/zinc/35/09/28/187350928.db2.gz LTWGNIYOVYRPOG-CYBMUJFWSA-N 0 1 249.358 2.231 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(N(C)C)cc1 ZINC000070944162 187275553 /nfs/dbraw/zinc/27/55/53/187275553.db2.gz LXOHFNLQJWURAJ-UHFFFAOYSA-N 0 1 249.358 2.031 20 0 BEADMN CN(CCF)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495620697 529900184 /nfs/dbraw/zinc/90/01/84/529900184.db2.gz SGJXONPHOVCFRH-UHFFFAOYSA-N 0 1 248.342 2.191 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC000179816453 346998527 /nfs/dbraw/zinc/99/85/27/346998527.db2.gz XJJXGXVZSXFUAS-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@@H]1CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC000179816453 346998531 /nfs/dbraw/zinc/99/85/31/346998531.db2.gz XJJXGXVZSXFUAS-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc(F)c1F ZINC000299474270 187353419 /nfs/dbraw/zinc/35/34/19/187353419.db2.gz CMJVAPRICLXMGC-UHFFFAOYSA-N 0 1 242.269 2.244 20 0 BEADMN CC(=O)N1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000075616562 187277149 /nfs/dbraw/zinc/27/71/49/187277149.db2.gz OXJUEAOVMAPHKF-CYBMUJFWSA-N 0 1 246.354 2.220 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1C ZINC000625473350 343873033 /nfs/dbraw/zinc/87/30/33/343873033.db2.gz UHHBQZWWBJUQBI-IJLUTSLNSA-N 0 1 240.391 2.125 20 0 BEADMN CC1(C)COC[C@H]1NCc1cc(F)ccc1F ZINC000313125750 343889675 /nfs/dbraw/zinc/88/96/75/343889675.db2.gz UXLHCTJDDJGSHM-GFCCVEGCSA-N 0 1 241.281 2.479 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)[C@H](C)CC(=O)[O-] ZINC000570583318 323064045 /nfs/dbraw/zinc/06/40/45/323064045.db2.gz DJTMLYJBZYQKCB-SNVBAGLBSA-N 0 1 239.290 2.429 20 0 BEADMN CCN(CC1CC1)C(=O)c1cccc2n[nH]cc21 ZINC000069747006 343942902 /nfs/dbraw/zinc/94/29/02/343942902.db2.gz DKLCGNMIBMTXLG-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cc(O)ccc1Cl ZINC000625514814 343914753 /nfs/dbraw/zinc/91/47/53/343914753.db2.gz UNUVZGMHFXBXCR-VIFPVBQESA-N 0 1 243.734 2.248 20 0 BEADMN CCc1noc([C@H](C)N(C)CC(C)C)n1 ZINC000068334759 362253958 /nfs/dbraw/zinc/25/39/58/362253958.db2.gz PUNMGQKAXNFNSH-VIFPVBQESA-N 0 1 211.309 2.281 20 0 BEADMN CCC(C)(C)c1cn([C@@H](C)c2nnc(C)[nH]2)nn1 ZINC000641179652 362255472 /nfs/dbraw/zinc/25/54/72/362255472.db2.gz KZZPHIBRRDLJKD-QMMMGPOBSA-N 0 1 248.334 2.002 20 0 BEADMN CCC(C)(C)c1cn([C@H](C)c2nnc(C)[nH]2)nn1 ZINC000641179651 362256106 /nfs/dbraw/zinc/25/61/06/362256106.db2.gz KZZPHIBRRDLJKD-MRVPVSSYSA-N 0 1 248.334 2.002 20 0 BEADMN CC(C)(C)n1cc(CN[C@H]2CC[C@H](F)C2)nn1 ZINC000342317206 534956818 /nfs/dbraw/zinc/95/68/18/534956818.db2.gz NVETYZVWZXTKIE-UWVGGRQHSA-N 0 1 240.326 2.013 20 0 BEADMN Cc1c[nH]c(CN(C)C2CCCCC2)n1 ZINC000628119047 343970138 /nfs/dbraw/zinc/97/01/38/343970138.db2.gz XYFRDHZNFJGJCT-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000619363626 343960488 /nfs/dbraw/zinc/96/04/88/343960488.db2.gz ZHXMNGZOXZYRKE-NXEZZACHSA-N 0 1 241.294 2.045 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCCOC1)C2 ZINC000625727005 344058237 /nfs/dbraw/zinc/05/82/37/344058237.db2.gz OGDHAZBYSLFSGZ-NSHDSACASA-N 0 1 233.311 2.134 20 0 BEADMN COCC[C@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727394 344058451 /nfs/dbraw/zinc/05/84/51/344058451.db2.gz WDGQSKIERSGJEG-JTQLQIEISA-N 0 1 221.300 2.133 20 0 BEADMN Oc1ccc2c(c1)CN(CCCCF)C2 ZINC000625727808 344059472 /nfs/dbraw/zinc/05/94/72/344059472.db2.gz MLTHTYDLELWINJ-UHFFFAOYSA-N 0 1 209.264 2.458 20 0 BEADMN C[C@H]1C[C@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728409 344059979 /nfs/dbraw/zinc/05/99/79/344059979.db2.gz OBVQCXRSKYHRKU-ONGXEEELSA-N 0 1 203.285 2.364 20 0 BEADMN Oc1ccc2c(c1)CN(CCC1(O)CCC1)C2 ZINC000625728489 344060177 /nfs/dbraw/zinc/06/01/77/344060177.db2.gz VOZKPBQQROXQPL-UHFFFAOYSA-N 0 1 233.311 2.013 20 0 BEADMN CC(C)(C)NC(=O)CN1CCCC(F)(F)CC1 ZINC000625767657 344068222 /nfs/dbraw/zinc/06/82/22/344068222.db2.gz OGVUOJNRCXSYNM-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN CCCNC(=O)[C@@H](C)N1CCCC(F)(F)CC1 ZINC000625766962 344068547 /nfs/dbraw/zinc/06/85/47/344068547.db2.gz CKHCOVRMVJDGEG-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN Nc1ncccc1CN1CCCC(F)(F)CC1 ZINC000625772993 344070025 /nfs/dbraw/zinc/07/00/25/344070025.db2.gz UWIDIQGOKCWNAY-UHFFFAOYSA-N 0 1 241.285 2.285 20 0 BEADMN CC1(C)CCC(O)(CNCc2cocn2)CC1 ZINC000395095008 344071657 /nfs/dbraw/zinc/07/16/57/344071657.db2.gz WPOSQRFJSMFFCN-UHFFFAOYSA-N 0 1 238.331 2.096 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000570693284 323067382 /nfs/dbraw/zinc/06/73/82/323067382.db2.gz BKRNPYGVRXIFSU-HBNTYKKESA-N 0 1 237.347 2.139 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000335906285 344084325 /nfs/dbraw/zinc/08/43/25/344084325.db2.gz NWIIMVCJVBSLSP-IINYFYTJSA-N 0 1 247.342 2.370 20 0 BEADMN O=C(CN(C1CC1)C1CC1)N1CCCCCC1 ZINC000625835154 344088717 /nfs/dbraw/zinc/08/87/17/344088717.db2.gz VRMFUEUEXPMJPQ-UHFFFAOYSA-N 0 1 236.359 2.016 20 0 BEADMN CC(C)N(C(=O)CN(C1CC1)C1CC1)C(C)C ZINC000625835269 344089272 /nfs/dbraw/zinc/08/92/72/344089272.db2.gz PRTDRNZCAZAFJV-UHFFFAOYSA-N 0 1 238.375 2.259 20 0 BEADMN CCCN(CCC)C(=O)CN(C1CC1)C1CC1 ZINC000625835702 344089382 /nfs/dbraw/zinc/08/93/82/344089382.db2.gz VIASDAWXLNSHFL-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)(C)c1nc(CN(C2CC2)C2CC2)n[nH]1 ZINC000625841297 344094836 /nfs/dbraw/zinc/09/48/36/344094836.db2.gz KEOYTONMBKXWQO-UHFFFAOYSA-N 0 1 234.347 2.229 20 0 BEADMN Fc1ccc(CSc2cn[nH]n2)cc1F ZINC000155863930 344118250 /nfs/dbraw/zinc/11/82/50/344118250.db2.gz VJKVIAXTJHZQSE-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CC(=O)Nc1cccc([C@H](C)NCCF)c1 ZINC000087774814 187286074 /nfs/dbraw/zinc/28/60/74/187286074.db2.gz XSTTZJKLVZWZMU-VIFPVBQESA-N 0 1 224.279 2.265 20 0 BEADMN CCCC[C@@H](CC)N[C@H](C)c1ncn(C)n1 ZINC000309435343 344144963 /nfs/dbraw/zinc/14/49/63/344144963.db2.gz HCXKVKQAOAXWOH-GHMZBOCLSA-N 0 1 224.352 2.435 20 0 BEADMN OC1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C2CC2)o1 ZINC000628129780 344157810 /nfs/dbraw/zinc/15/78/10/344157810.db2.gz UJPCBIVXJRTQDB-FOSCPWQOSA-N 0 1 248.326 2.040 20 0 BEADMN CN(Cc1cnc(C2CC2)o1)[C@H]1CCSC1 ZINC000628131799 344159522 /nfs/dbraw/zinc/15/95/22/344159522.db2.gz KETLUMATGXSSQR-JTQLQIEISA-N 0 1 238.356 2.489 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000195526113 344216132 /nfs/dbraw/zinc/21/61/32/344216132.db2.gz KIHJOUFSDPMHDB-QMMMGPOBSA-N 0 1 221.304 2.158 20 0 BEADMN FC(F)[C@H]1CC[N@H+](C2CCCC2)CCO1 ZINC000634757295 344220401 /nfs/dbraw/zinc/22/04/01/344220401.db2.gz OSLVSKFERVRLCG-SNVBAGLBSA-N 0 1 219.275 2.285 20 0 BEADMN CC[C@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758406 344226572 /nfs/dbraw/zinc/22/65/72/344226572.db2.gz OBEIJZMFJLZLPH-DTWKUNHWSA-N 0 1 207.264 2.141 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C1CCC1 ZINC000127581330 344198184 /nfs/dbraw/zinc/19/81/84/344198184.db2.gz QFOLFJCTUXUVGE-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@@H](C)C2)c(C)[nH]1 ZINC000040719016 344244999 /nfs/dbraw/zinc/24/49/99/344244999.db2.gz CDFKHRVDMOUIFK-SECBINFHSA-N 0 1 220.316 2.156 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000088795616 344242074 /nfs/dbraw/zinc/24/20/74/344242074.db2.gz ZGJAJEFDTYHMCG-ZDUSSCGKSA-N 0 1 233.311 2.290 20 0 BEADMN CSCCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000600673756 344352772 /nfs/dbraw/zinc/35/27/72/344352772.db2.gz HKAMRQQCBJCXHH-JGPRNRPPSA-N 0 1 245.388 2.313 20 0 BEADMN CCOC[C@H](N[C@@H](C)c1ncc[nH]1)C(C)C ZINC000336768238 537844145 /nfs/dbraw/zinc/84/41/45/537844145.db2.gz QQJZBTUELWSUAF-QWRGUYRKSA-N 0 1 225.336 2.121 20 0 BEADMN CCOC[C@H](N[C@H](C)c1ncc[nH]1)C(C)C ZINC000336768237 537845542 /nfs/dbraw/zinc/84/55/42/537845542.db2.gz QQJZBTUELWSUAF-MNOVXSKESA-N 0 1 225.336 2.121 20 0 BEADMN C[C@@H](CN(C)c1ccncc1C(N)=O)C(C)(C)C ZINC000634807466 344392366 /nfs/dbraw/zinc/39/23/66/344392366.db2.gz NLUVBQNUQHHLBK-JTQLQIEISA-N 0 1 249.358 2.299 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000600936726 344399761 /nfs/dbraw/zinc/39/97/61/344399761.db2.gz CPCGGNDYUCPRKV-STQMWFEESA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC000600944529 344400013 /nfs/dbraw/zinc/40/00/13/344400013.db2.gz SSHYLQCGYBMCDU-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1ccc(F)cc1O ZINC000228310360 259375886 /nfs/dbraw/zinc/37/58/86/259375886.db2.gz QKAZCJXBBUMUQR-QMMMGPOBSA-N 0 1 237.274 2.307 20 0 BEADMN CCC(CC)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000104550360 344460672 /nfs/dbraw/zinc/46/06/72/344460672.db2.gz OTPSZQJXQDZVCH-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cscn1 ZINC000381197051 344483791 /nfs/dbraw/zinc/48/37/91/344483791.db2.gz BGYXJFDFXQEKNN-GUDRVLHUSA-N 0 1 238.356 2.361 20 0 BEADMN Cc1ccnc(NC[C@H]2CCCCO2)c1 ZINC000043561695 344528214 /nfs/dbraw/zinc/52/82/14/344528214.db2.gz JHRATPOZIQMTCH-LLVKDONJSA-N 0 1 206.289 2.371 20 0 BEADMN CCS[C@H]1CCCCN([C@@H](C)C(=O)OC)C1 ZINC000119794093 344549409 /nfs/dbraw/zinc/54/94/09/344549409.db2.gz MKOQEBFMVFFIES-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN CCc1cnc(CN[C@]2(C)CCO[C@@H]2C)s1 ZINC000309402110 347055517 /nfs/dbraw/zinc/05/55/17/347055517.db2.gz AGPXNLUUNKJIRP-BXKDBHETSA-N 0 1 240.372 2.363 20 0 BEADMN CCc1cnc(CN[C@]2(C)CCO[C@H]2C)s1 ZINC000309402115 347055541 /nfs/dbraw/zinc/05/55/41/347055541.db2.gz AGPXNLUUNKJIRP-JOYOIKCWSA-N 0 1 240.372 2.363 20 0 BEADMN CCCC[C@@H](CC)N[C@@H](C)c1ncn(C)n1 ZINC000309435348 347061886 /nfs/dbraw/zinc/06/18/86/347061886.db2.gz HCXKVKQAOAXWOH-WDEREUQCSA-N 0 1 224.352 2.435 20 0 BEADMN CC1(C)C[C@@H](N2CCc3c(O)cccc3C2)CO1 ZINC000626028592 344681262 /nfs/dbraw/zinc/68/12/62/344681262.db2.gz QDKNZKWAYHEHIY-GFCCVEGCSA-N 0 1 247.338 2.318 20 0 BEADMN CC(C)(C)OCCCN1CCO[C@H](CCF)C1 ZINC000626002253 344663073 /nfs/dbraw/zinc/66/30/73/344663073.db2.gz JSISZJIHDNUXSH-GFCCVEGCSA-N 0 1 247.354 2.252 20 0 BEADMN CC/C=C\CCN1CCO[C@@H](CCF)C1 ZINC000626004932 344666945 /nfs/dbraw/zinc/66/69/45/344666945.db2.gz QYYBSTWLORGXPN-MVZIDQBPSA-N 0 1 215.312 2.403 20 0 BEADMN FCC[C@H]1CN(CC[C@H]2CCCCO2)CCO1 ZINC000626005198 344667357 /nfs/dbraw/zinc/66/73/57/344667357.db2.gz XSMCGDDIXXWYCF-OLZOCXBDSA-N 0 1 245.338 2.006 20 0 BEADMN CO[C@H](CC(C)C)CN1CCO[C@@H](CCF)C1 ZINC000626005619 344668032 /nfs/dbraw/zinc/66/80/32/344668032.db2.gz GRLWEMWEVYLKGV-QWHCGFSZSA-N 0 1 247.354 2.108 20 0 BEADMN Oc1cccc2c1CCN(C[C@H]1CCCCO1)C2 ZINC000626025376 344676596 /nfs/dbraw/zinc/67/65/96/344676596.db2.gz VTSLOKOYSGWISB-CYBMUJFWSA-N 0 1 247.338 2.319 20 0 BEADMN COc1cccc2c1CN(C[C@H]1CCOC1)C2 ZINC000626021611 344677234 /nfs/dbraw/zinc/67/72/34/344677234.db2.gz JQXXZMZUZSTOTA-LLVKDONJSA-N 0 1 233.311 2.047 20 0 BEADMN CN(Cc1cc(F)ccc1F)C[C@H]1C[C@@H](O)C1 ZINC000626044230 344695657 /nfs/dbraw/zinc/69/56/57/344695657.db2.gz VHKZOZMRTPCXCX-WVSHTKLVSA-N 0 1 241.281 2.168 20 0 BEADMN COC(=O)C1CCN([C@H](C)c2ccncc2)CC1 ZINC000259929433 344701649 /nfs/dbraw/zinc/70/16/49/344701649.db2.gz KHQDUCNCOIKHPZ-LLVKDONJSA-N 0 1 248.326 2.028 20 0 BEADMN CN(C(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000082321511 344750012 /nfs/dbraw/zinc/75/00/12/344750012.db2.gz ZEMAYUWZCYIFMD-CYBMUJFWSA-N 0 1 232.327 2.134 20 0 BEADMN CN(C(=O)[C@H]1CCCCN1C)c1ccccc1 ZINC000082321511 344750015 /nfs/dbraw/zinc/75/00/15/344750015.db2.gz ZEMAYUWZCYIFMD-CYBMUJFWSA-N 0 1 232.327 2.134 20 0 BEADMN CC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000050600040 344718305 /nfs/dbraw/zinc/71/83/05/344718305.db2.gz BELQBSQFRYCTPA-ZDUSSCGKSA-N 0 1 203.285 2.065 20 0 BEADMN CCc1nc(CSc2ccc(C)cn2)n[nH]1 ZINC000181753449 347071513 /nfs/dbraw/zinc/07/15/13/347071513.db2.gz LGRSXAAXGQCMPA-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1CO ZINC000075636775 344781695 /nfs/dbraw/zinc/78/16/95/344781695.db2.gz ZAQPNBYOCPDHMQ-CQSZACIVSA-N 0 1 248.370 2.099 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)on1 ZINC000075894658 344787122 /nfs/dbraw/zinc/78/71/22/344787122.db2.gz SVKCAVDROOEVSS-AOOOYVTPSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@@H]1CN(Cc2cccnc2)C[C@@H](C)S1 ZINC000075891188 344787309 /nfs/dbraw/zinc/78/73/09/344787309.db2.gz CGXAONFUGWVOMN-GHMZBOCLSA-N 0 1 222.357 2.407 20 0 BEADMN COCc1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000076110673 344795122 /nfs/dbraw/zinc/79/51/22/344795122.db2.gz HWFFENSXZFAXIK-UWVGGRQHSA-N 0 1 240.372 2.377 20 0 BEADMN CCc1noc([C@@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000076112537 344796284 /nfs/dbraw/zinc/79/62/84/344796284.db2.gz CNYHOVJHGAVRJQ-KXUCPTDWSA-N 0 1 223.320 2.281 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](C)C2)o1 ZINC000076112172 344796415 /nfs/dbraw/zinc/79/64/15/344796415.db2.gz LLUAORQTCXITPO-HLTSFMKQSA-N 0 1 209.293 2.027 20 0 BEADMN CCCN1CCOC[C@@H]1c1ccccc1 ZINC000076118902 344797585 /nfs/dbraw/zinc/79/75/85/344797585.db2.gz NKQFPFXDSYEBRN-CYBMUJFWSA-N 0 1 205.301 2.470 20 0 BEADMN Cc1ccc(CN(C)C(=O)c2cnc[nH]2)s1 ZINC000076465917 344803043 /nfs/dbraw/zinc/80/30/43/344803043.db2.gz RSFCSTXFZIERSX-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CC1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000623040353 347079970 /nfs/dbraw/zinc/07/99/70/347079970.db2.gz USIKMQCBTFZHNO-UNTZMWQOSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1nccc(OC)n1 ZINC000583362901 344813181 /nfs/dbraw/zinc/81/31/81/344813181.db2.gz JXQFDRPOQOXOBE-GHMZBOCLSA-N 0 1 235.331 2.154 20 0 BEADMN CCC1(CC)[C@H](NCc2cocn2)C[C@H]1OC ZINC000182067785 347082821 /nfs/dbraw/zinc/08/28/21/347082821.db2.gz LFDAZQDCOBOTFH-VXGBXAGGSA-N 0 1 238.331 2.358 20 0 BEADMN COCCN(C)Cc1ccccc1OC(F)F ZINC000077409123 344823792 /nfs/dbraw/zinc/82/37/92/344823792.db2.gz FZXLKSOGPQMVTH-UHFFFAOYSA-N 0 1 245.269 2.366 20 0 BEADMN CC[C@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628152623 344841280 /nfs/dbraw/zinc/84/12/80/344841280.db2.gz ISISJURVAHVZCL-NSHDSACASA-N 0 1 207.321 2.401 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000628147886 344832034 /nfs/dbraw/zinc/83/20/34/344832034.db2.gz ZSNZNRLBHFKXNC-LLVKDONJSA-N 0 1 246.314 2.086 20 0 BEADMN CC1(C)CCCN(c2ncnc3[nH]cnc32)CC1 ZINC000078373475 344856248 /nfs/dbraw/zinc/85/62/48/344856248.db2.gz RMGAPKIAVFHHRM-UHFFFAOYSA-N 0 1 245.330 2.369 20 0 BEADMN Cc1nc(CN2CCCC2(C)C)[nH]c1C ZINC000628160323 344859053 /nfs/dbraw/zinc/85/90/53/344859053.db2.gz QSIKSNMDLJZYEU-UHFFFAOYSA-N 0 1 207.321 2.401 20 0 BEADMN CC[C@@]1(C)CCCN(c2ncnc3[nH]cnc32)C1 ZINC000078559221 344882439 /nfs/dbraw/zinc/88/24/39/344882439.db2.gz PWYQROXPSYHWGQ-ZDUSSCGKSA-N 0 1 245.330 2.369 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@@]1(C)CCCS1 ZINC000628170142 344884816 /nfs/dbraw/zinc/88/48/16/344884816.db2.gz RWXNISWFPOVFPJ-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000112860015 187294054 /nfs/dbraw/zinc/29/40/54/187294054.db2.gz COVLAOBAYVYRGE-UHFFFAOYSA-N 0 1 245.326 2.447 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000628178703 344912399 /nfs/dbraw/zinc/91/23/99/344912399.db2.gz YOCUPJKETLGAGJ-VHSXEESVSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000628177032 344905893 /nfs/dbraw/zinc/90/58/93/344905893.db2.gz IQUIQPFESNKMKK-PHIMTYICSA-N 0 1 206.289 2.215 20 0 BEADMN CN(C(=O)c1ccn[nH]1)C1CCCCCC1 ZINC000078804315 344907673 /nfs/dbraw/zinc/90/76/73/344907673.db2.gz RUMILZJFCWRPDM-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN Cc1cc(CC(=O)NCCC2CCCCC2)[nH]n1 ZINC000119095555 187294722 /nfs/dbraw/zinc/29/47/22/187294722.db2.gz BRWIDYWFXJLGOV-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CC(C)CO[C@@H]1CCN(Cc2ccccn2)C1 ZINC000119831864 187294950 /nfs/dbraw/zinc/29/49/50/187294950.db2.gz CDNHEGIMXJWMSX-CQSZACIVSA-N 0 1 234.343 2.329 20 0 BEADMN Cc1nc(CN2CC[C@H](C3CC3)C2)[nH]c1C ZINC000628186166 344936490 /nfs/dbraw/zinc/93/64/90/344936490.db2.gz AMHIAAQXLUSOPL-LBPRGKRZSA-N 0 1 219.332 2.258 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@@H](C)C2)[nH]c1C ZINC000628178882 344913379 /nfs/dbraw/zinc/91/33/79/344913379.db2.gz GXZFWRCHBDXGBL-IUCAKERBSA-N 0 1 207.321 2.114 20 0 BEADMN Cc1ncc(CNCCOc2cccc(C)c2)o1 ZINC000628198896 344965689 /nfs/dbraw/zinc/96/56/89/344965689.db2.gz QEOYZTDNIVHQMF-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN C[C@H](CNc1cc[nH+]c2ccsc21)C(=O)[O-] ZINC000583443253 344977313 /nfs/dbraw/zinc/97/73/13/344977313.db2.gz FMTVSRFYBXBAHT-SSDOTTSWSA-N 0 1 236.296 2.429 20 0 BEADMN CCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000050851879 344978169 /nfs/dbraw/zinc/97/81/69/344978169.db2.gz GKGGOXUGGVUFQV-UHFFFAOYSA-N 0 1 208.309 2.098 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cncc(C)c1 ZINC000079577279 344992167 /nfs/dbraw/zinc/99/21/67/344992167.db2.gz WOUJYHCHKZAORR-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC2(C)C)s1 ZINC000307134525 345031954 /nfs/dbraw/zinc/03/19/54/345031954.db2.gz OMBANSXSZAXQSM-MRVPVSSYSA-N 0 1 211.334 2.125 20 0 BEADMN CCC[C@H]1C[C@H]1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000079996022 345074259 /nfs/dbraw/zinc/07/42/59/345074259.db2.gz LHARPJXPTRJVFI-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1Cc1ccccc1N(C)C ZINC000156054668 345122098 /nfs/dbraw/zinc/12/20/98/345122098.db2.gz OHEOHXHKWXGOBY-OLZOCXBDSA-N 0 1 248.370 2.362 20 0 BEADMN CC(C)CCOCCN1CCO[C@H](C)[C@@H]1C ZINC000156059038 345122563 /nfs/dbraw/zinc/12/25/63/345122563.db2.gz GBQUQXUJTVXVRR-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN c1cc(CNc2cc3c(cn2)CCC3)no1 ZINC000634982854 345163680 /nfs/dbraw/zinc/16/36/80/345163680.db2.gz YETNGSRJNMYGAQ-UHFFFAOYSA-N 0 1 215.256 2.170 20 0 BEADMN COCC(C)(C)CCCNCc1ccon1 ZINC000634981049 345164575 /nfs/dbraw/zinc/16/45/75/345164575.db2.gz VRNIHHLXIKFPPC-UHFFFAOYSA-N 0 1 226.320 2.217 20 0 BEADMN c1cc(CN[C@H](C2CC2)[C@H]2CCCCO2)no1 ZINC000634985448 345165395 /nfs/dbraw/zinc/16/53/95/345165395.db2.gz UDJMXBRZIJOPGW-CHWSQXEVSA-N 0 1 236.315 2.112 20 0 BEADMN CC(C)(CNCc1ccon1)C1(O)CCCC1 ZINC000634983666 345167268 /nfs/dbraw/zinc/16/72/68/345167268.db2.gz VSPZYFWVCBWVCP-UHFFFAOYSA-N 0 1 238.331 2.096 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2C(C)(C)C2(C)C)c1C ZINC000408325855 345168923 /nfs/dbraw/zinc/16/89/23/345168923.db2.gz FWKAFILQJSNHJO-UHFFFAOYSA-N 0 1 249.358 2.439 20 0 BEADMN CC[C@H]1CCCC[N@H+]1CCNCc1ccon1 ZINC000634961398 345135723 /nfs/dbraw/zinc/13/57/23/345135723.db2.gz UGKXWZSTNXZFRU-ZDUSSCGKSA-N 0 1 237.347 2.029 20 0 BEADMN Cc1ccc(CCNCc2ccon2)cc1 ZINC000634962660 345137471 /nfs/dbraw/zinc/13/74/71/345137471.db2.gz YRORGKSDVRAEMP-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN c1cc(CNC[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)no1 ZINC000634969826 345143997 /nfs/dbraw/zinc/14/39/97/345143997.db2.gz ZFXKMCYKUVSCOB-QLFBSQMISA-N 0 1 240.306 2.350 20 0 BEADMN Clc1cnc(CN[C@H]2CCSC2)s1 ZINC000225360169 345145559 /nfs/dbraw/zinc/14/55/59/345145559.db2.gz JYPBZQPOGXOQGA-LURJTMIESA-N 0 1 234.777 2.392 20 0 BEADMN C[C@@H]1CC(CCNCc2ccon2)C[C@@H](C)O1 ZINC000634980169 345156710 /nfs/dbraw/zinc/15/67/10/345156710.db2.gz YFFAEFKBBQUGDA-GHMZBOCLSA-N 0 1 238.331 2.358 20 0 BEADMN CCC(CC)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635089654 345244459 /nfs/dbraw/zinc/24/44/59/345244459.db2.gz QOQAIHVYXGJLBA-CYBMUJFWSA-N 0 1 238.375 2.308 20 0 BEADMN Cc1cn[nH]c1CNc1cc(C)cc(N)c1 ZINC000635001798 345202093 /nfs/dbraw/zinc/20/20/93/345202093.db2.gz GDCIHAPWMGBPMY-UHFFFAOYSA-N 0 1 216.288 2.221 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000635016314 345221034 /nfs/dbraw/zinc/22/10/34/345221034.db2.gz LXJGWUOJUXWYBY-CHWSQXEVSA-N 0 1 249.285 2.436 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@@H](C)OC)s1 ZINC000168409217 345314430 /nfs/dbraw/zinc/31/44/30/345314430.db2.gz RTOYUKRVHJTCLN-RKDXNWHRSA-N 0 1 228.361 2.219 20 0 BEADMN CN(C(=O)[C@@H]1CCCCN1C)C1CCCCC1 ZINC000635182678 345266114 /nfs/dbraw/zinc/26/61/14/345266114.db2.gz FSJNEMKDETVIKT-ZDUSSCGKSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635200930 345271868 /nfs/dbraw/zinc/27/18/68/345271868.db2.gz ZEYWCBOQYQYHFD-NWDGAFQWSA-N 0 1 228.380 2.268 20 0 BEADMN CCSCC[C@@H](C)NCc1csnn1 ZINC000162676801 345276045 /nfs/dbraw/zinc/27/60/45/345276045.db2.gz WTQSFODMAZOCNY-MRVPVSSYSA-N 0 1 231.390 2.159 20 0 BEADMN CCCN(CC(C)C)C(=O)[C@@H]1CCCCN1C ZINC000635248585 345285131 /nfs/dbraw/zinc/28/51/31/345285131.db2.gz KDXSHKRHLQOMIO-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C(=O)N1C[C@H](C)c2ccccc21)N(C)C ZINC000635329372 345310365 /nfs/dbraw/zinc/31/03/65/345310365.db2.gz ALNXRRXCEYIJRI-WDEREUQCSA-N 0 1 232.327 2.087 20 0 BEADMN CCC1CCC(CNC(=O)[C@@H](C)N(C)C)CC1 ZINC000635399676 345347202 /nfs/dbraw/zinc/34/72/02/345347202.db2.gz AJSZCNRAXLIDGX-PNESKVBLSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](C(=O)N(C)CCC1CCCCC1)N(C)C ZINC000635470505 345385753 /nfs/dbraw/zinc/38/57/53/345385753.db2.gz GSPHRMWMTWXGPI-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(Cc1cnc(C(C)C)s1)[C@@H](C)CO ZINC000354417428 345404395 /nfs/dbraw/zinc/40/43/95/345404395.db2.gz DZCSPOANRLBXLV-JTQLQIEISA-N 0 1 242.388 2.469 20 0 BEADMN C[C@H](C(=O)N1C[C@H](C)Cc2ccccc21)N(C)C ZINC000635504514 345404509 /nfs/dbraw/zinc/40/45/09/345404509.db2.gz XBYFYOIYRUZWMM-VXGBXAGGSA-N 0 1 246.354 2.162 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635500416 345400084 /nfs/dbraw/zinc/40/00/84/345400084.db2.gz PFUQDFHVGFBJER-JHJVBQTASA-N 0 1 240.391 2.268 20 0 BEADMN Cc1ccncc1NC(=O)CN(C)CC(C)(C)C ZINC000635500804 345400342 /nfs/dbraw/zinc/40/03/42/345400342.db2.gz LOMQCUQCBJGSFU-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635498102 345401441 /nfs/dbraw/zinc/40/14/41/345401441.db2.gz SEHFZMALRZTMEI-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN CC=CC=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000082184089 345496725 /nfs/dbraw/zinc/49/67/25/345496725.db2.gz DTLMCUWCZTYWFH-IAROGAJJSA-N 0 1 228.255 2.029 20 0 BEADMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(C)C)CC2 ZINC000635531578 345466091 /nfs/dbraw/zinc/46/60/91/345466091.db2.gz IJBSIJRHOCLSJZ-RISCZKNCSA-N 0 1 246.354 2.049 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000081322714 345469713 /nfs/dbraw/zinc/46/97/13/345469713.db2.gz WKQBFUJHFOHISR-LBPRGKRZSA-N 0 1 221.304 2.062 20 0 BEADMN CC1(C)CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000081353471 345471350 /nfs/dbraw/zinc/47/13/50/345471350.db2.gz ISYQYUQJANAMGH-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN O=C(CN1CCC12CCC2)NC1CCCCC1 ZINC000081545921 345477501 /nfs/dbraw/zinc/47/75/01/345477501.db2.gz SOGHRNHJIQTZRY-UHFFFAOYSA-N 0 1 236.359 2.064 20 0 BEADMN CC1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC000635540655 345520776 /nfs/dbraw/zinc/52/07/76/345520776.db2.gz IHQDNDTTXOLYAZ-GHMZBOCLSA-N 0 1 247.342 2.210 20 0 BEADMN COC[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000084863692 345527526 /nfs/dbraw/zinc/52/75/26/345527526.db2.gz GQVXDRLLKRREQY-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN COC[C@@H]1CCN(Cc2nc(C)c(C)s2)C1 ZINC000088601263 345542611 /nfs/dbraw/zinc/54/26/11/345542611.db2.gz BMHYLZAJCHCFLG-LLVKDONJSA-N 0 1 240.372 2.228 20 0 BEADMN CC[C@@H](NCC(C)(F)F)C1CCOCC1 ZINC000378775170 345561602 /nfs/dbraw/zinc/56/16/02/345561602.db2.gz DSQXGHFZWWKPTF-SNVBAGLBSA-N 0 1 221.291 2.436 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635545478 345568788 /nfs/dbraw/zinc/56/87/88/345568788.db2.gz CKESKZLQGFKJRF-HBNTYKKESA-N 0 1 235.331 2.018 20 0 BEADMN COCc1ccc(CN2CCC[C@H](OC)C2)o1 ZINC000091772243 345604911 /nfs/dbraw/zinc/60/49/11/345604911.db2.gz IVCKNOOGTHXQJW-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN CC(C)[C@@H](O)CCNCc1ncc(Cl)s1 ZINC000308999511 187307586 /nfs/dbraw/zinc/30/75/86/187307586.db2.gz NPNOGLSYLAPXOA-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CN(C)c1ncc(CN2CCCCC2)s1 ZINC000092107235 345616310 /nfs/dbraw/zinc/61/63/10/345616310.db2.gz SQUQINLGYLNVHG-UHFFFAOYSA-N 0 1 225.361 2.195 20 0 BEADMN CC(C)[C@H](NCc1cnn(C)c1)c1cccnc1 ZINC000091306089 345590585 /nfs/dbraw/zinc/59/05/85/345590585.db2.gz YRGZKNGEMYFWBU-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN Cc1ccoc1CN(C)CCOCC1CC1 ZINC000093818632 345665685 /nfs/dbraw/zinc/66/56/85/345665685.db2.gz BEYSNNHMPHDGNR-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccc(F)cn1 ZINC000092766401 345643104 /nfs/dbraw/zinc/64/31/04/345643104.db2.gz ZFLDQTLAXBUFEH-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN CCC[N@@H+](C/C=C\c1ccccc1)CC(=O)[O-] ZINC000213390435 345740506 /nfs/dbraw/zinc/74/05/06/345740506.db2.gz GIKKFJJANADFMK-TWGQIWQCSA-N 0 1 233.311 2.496 20 0 BEADMN C[C@@H]1COCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000389694950 537909932 /nfs/dbraw/zinc/90/99/32/537909932.db2.gz IPXOWESINQCPOH-KXUCPTDWSA-N 0 1 219.275 2.189 20 0 BEADMN CCC(CC)(CC)NC(=O)[C@@H]1CCCN1C ZINC000166779742 345722384 /nfs/dbraw/zinc/72/23/84/345722384.db2.gz CADPIHUCBFGYBH-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CCC(C)C ZINC000082761053 345726850 /nfs/dbraw/zinc/72/68/50/345726850.db2.gz QTCATMLSPUOIPZ-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1ncc(CN2CCC(OC(C)C)CC2)cn1 ZINC000201060646 345729308 /nfs/dbraw/zinc/72/93/08/345729308.db2.gz NOIUVNGKVBLFNY-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1ncc(CNCCOC2CCCC2)o1 ZINC000628209930 345808806 /nfs/dbraw/zinc/80/88/06/345808806.db2.gz ZDYXPPPBYGWITC-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN c1csc(CCNCc2cnc(C3CC3)o2)n1 ZINC000628209959 345811173 /nfs/dbraw/zinc/81/11/73/345811173.db2.gz AKFKOMMXVJQYKD-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CC[C@@H](COc1ccccc1-c1nnc[nH]1)OC ZINC000418911955 192090643 /nfs/dbraw/zinc/09/06/43/192090643.db2.gz CYSHFRUHJGLOBZ-JTQLQIEISA-N 0 1 247.298 2.276 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CCC(C)(C)CC1 ZINC000600987724 345777019 /nfs/dbraw/zinc/77/70/19/345777019.db2.gz IVJFFUDPCVEHSV-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCOC(CN1CCC(F)(F)CC1)OCC ZINC000219811057 345860202 /nfs/dbraw/zinc/86/02/02/345860202.db2.gz XSVFYGFPLIKVAI-UHFFFAOYSA-N 0 1 237.290 2.117 20 0 BEADMN Cc1cccc2c1CCCN2C(=O)[C@@H](C)N(C)C ZINC000635570153 345826432 /nfs/dbraw/zinc/82/64/32/345826432.db2.gz VOXFXVAKPVLLEN-GFCCVEGCSA-N 0 1 246.354 2.224 20 0 BEADMN C[C@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000635572316 345829221 /nfs/dbraw/zinc/82/92/21/345829221.db2.gz IYDDSFQZIFHSOK-UPJWGTAASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC000635604747 345889844 /nfs/dbraw/zinc/88/98/44/345889844.db2.gz WUBCORXOAWKZKI-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635614740 345893814 /nfs/dbraw/zinc/89/38/14/345893814.db2.gz FHJKIRMOGMZQRQ-DDHJBXDOSA-N 0 1 249.358 2.454 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@@H]1CCN1C1CCCC1 ZINC000635583243 345879591 /nfs/dbraw/zinc/87/95/91/345879591.db2.gz QJWPWCCNKBXYQZ-JSGCOSHPSA-N 0 1 248.370 2.228 20 0 BEADMN CC(=CC(C)(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000185144681 187310770 /nfs/dbraw/zinc/31/07/70/187310770.db2.gz CTIWVJFJDRAEQL-VOTSOKGWSA-N 0 1 222.292 2.044 20 0 BEADMN CC(=CC(C)(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000185144681 187310771 /nfs/dbraw/zinc/31/07/71/187310771.db2.gz CTIWVJFJDRAEQL-VOTSOKGWSA-N 0 1 222.292 2.044 20 0 BEADMN Cc1nc(C)c(CNC[C@@H](O)CC(C)(C)C)o1 ZINC000628216860 345927653 /nfs/dbraw/zinc/92/76/53/345927653.db2.gz BZHRVDZQUAUXGP-NSHDSACASA-N 0 1 240.347 2.178 20 0 BEADMN CC(C)c1nnc(CN[C@@H]2CCC[C@H]2C)o1 ZINC000390334109 259386402 /nfs/dbraw/zinc/38/64/02/259386402.db2.gz LFXOETREJCEKGB-NXEZZACHSA-N 0 1 223.320 2.471 20 0 BEADMN C[C@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000635623199 345897873 /nfs/dbraw/zinc/89/78/73/345897873.db2.gz NWIUCSDUNGITBH-KGYLQXTDSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635634322 345908412 /nfs/dbraw/zinc/90/84/12/345908412.db2.gz DGZFBVAFPGPYJJ-NNYUYHANSA-N 0 1 247.342 2.160 20 0 BEADMN Cc1c(F)cccc1NC(=O)[C@@H](C)N(C)C ZINC000635634909 345909006 /nfs/dbraw/zinc/90/90/06/345909006.db2.gz ILWUEWWWLCSOJN-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H]1NCC(F)(F)CO ZINC000336760961 187312012 /nfs/dbraw/zinc/31/20/12/187312012.db2.gz MQOMLWVQMBSTKI-UWVGGRQHSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635632861 345911224 /nfs/dbraw/zinc/91/12/24/345911224.db2.gz VEZKOZDZOZMUMA-DDHJBXDOSA-N 0 1 247.342 2.160 20 0 BEADMN COC(C)(C)CNCc1cnc(C2CC2)o1 ZINC000628222517 345956192 /nfs/dbraw/zinc/95/61/92/345956192.db2.gz VLWKLRXTGLYVSL-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC000146297375 345965519 /nfs/dbraw/zinc/96/55/19/345965519.db2.gz ZCJMXOSDSMPYJY-RISCZKNCSA-N 0 1 233.311 2.229 20 0 BEADMN CO[C@H](CNCc1cnc(C2CC2)o1)C(C)C ZINC000628222329 345960410 /nfs/dbraw/zinc/96/04/10/345960410.db2.gz NFBMZMVBKKXPGE-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN CC(C)C1CCC(NC(=O)[C@@H](C)N(C)C)CC1 ZINC000635696522 345984606 /nfs/dbraw/zinc/98/46/06/345984606.db2.gz JJZSNLKDIUVHIH-PNESKVBLSA-N 0 1 240.391 2.268 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635705448 345991762 /nfs/dbraw/zinc/99/17/62/345991762.db2.gz WXZYIYNCMXONCG-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC[C@@H]1C ZINC000635754089 346050300 /nfs/dbraw/zinc/05/03/00/346050300.db2.gz UNYSKLUFOAEETD-NNYUYHANSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC000635754087 346050708 /nfs/dbraw/zinc/05/07/08/346050708.db2.gz UNYSKLUFOAEETD-IRCOFANPSA-N 0 1 247.342 2.018 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000635757134 346051865 /nfs/dbraw/zinc/05/18/65/346051865.db2.gz DQLIJWHIZINQTN-CHWSQXEVSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635815435 346071316 /nfs/dbraw/zinc/07/13/16/346071316.db2.gz AYXMIFWIITTZNV-PRULPYPASA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635815438 346071572 /nfs/dbraw/zinc/07/15/72/346071572.db2.gz AYXMIFWIITTZNV-WGBDABJCSA-N 0 1 247.342 2.160 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1c(C)noc1C1CC1 ZINC000635805223 346072159 /nfs/dbraw/zinc/07/21/59/346072159.db2.gz OQCNSJRBDIOCQI-UHFFFAOYSA-N 0 1 246.270 2.144 20 0 BEADMN CC(C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635836000 346081625 /nfs/dbraw/zinc/08/16/25/346081625.db2.gz RYOKKYDTIISNHR-GHMZBOCLSA-N 0 1 249.358 2.312 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)CC1)N(C)C ZINC000635837058 346081720 /nfs/dbraw/zinc/08/17/20/346081720.db2.gz ATDZFSASDFRUQV-IJLUTSLNSA-N 0 1 226.364 2.022 20 0 BEADMN COC1(C[C@H](C)NC(CF)CF)CCC1 ZINC000449380938 201888378 /nfs/dbraw/zinc/88/83/78/201888378.db2.gz PNBBOIJFEOMNIF-VIFPVBQESA-N 0 1 221.291 2.231 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H](C)CC)[nH]1 ZINC001639093568 1172073934 /nfs/dbraw/zinc/07/39/34/1172073934.db2.gz JDCKCLGETAADJK-VIFPVBQESA-N 0 1 223.320 2.025 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CC2CCC2)n1 ZINC000192585960 346098493 /nfs/dbraw/zinc/09/84/93/346098493.db2.gz XLGIOZKCOVUXBN-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+](C)CC2CCC2)n1 ZINC000192585960 346098495 /nfs/dbraw/zinc/09/84/95/346098495.db2.gz XLGIOZKCOVUXBN-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000635892830 346103775 /nfs/dbraw/zinc/10/37/75/346103775.db2.gz DCNCLTRCAMLSTK-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@@H](C)C(C)C ZINC000635940860 346124037 /nfs/dbraw/zinc/12/40/37/346124037.db2.gz AAISOWVPCCGWED-QJPTWQEYSA-N 0 1 249.358 2.406 20 0 BEADMN Cc1ncc(CN[C@H]2CCC(F)(F)C2)o1 ZINC000628229484 346178507 /nfs/dbraw/zinc/17/85/07/346178507.db2.gz XAHVKFHVDHMROR-QMMMGPOBSA-N 0 1 216.231 2.260 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1)N(C)C ZINC000636011072 346153022 /nfs/dbraw/zinc/15/30/22/346153022.db2.gz YERSMSIBTRVSSQ-WUHRBBMRSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1nc(C)c(CNc2ccc3nn[nH]c3c2)o1 ZINC000628229063 346177602 /nfs/dbraw/zinc/17/76/02/346177602.db2.gz IUKKRLWXSLYKOD-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1nc(C)c(CNc2ccc3n[nH]nc3c2)o1 ZINC000628229063 346177604 /nfs/dbraw/zinc/17/76/04/346177604.db2.gz IUKKRLWXSLYKOD-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000563279815 323107865 /nfs/dbraw/zinc/10/78/65/323107865.db2.gz ZNLQJOXMLKENKZ-NSHDSACASA-N 0 1 209.289 2.036 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)N(C)C ZINC000636029087 346163203 /nfs/dbraw/zinc/16/32/03/346163203.db2.gz UYMOYGRNJHWANH-GRYCIOLGSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1cnc(C2CC2)o1 ZINC000628237162 346193285 /nfs/dbraw/zinc/19/32/85/346193285.db2.gz DFNIPOYJDZAIKV-RNCFNFMXSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ncc(CN(C)CCc2ccncc2)o1 ZINC000628238150 346195274 /nfs/dbraw/zinc/19/52/74/346195274.db2.gz MUDCQWFGFQFIEW-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Cc1c[nH]c(CN2CC3(CCC3)C[C@@H]2C)n1 ZINC000628252965 346227249 /nfs/dbraw/zinc/22/72/49/346227249.db2.gz PEFXATFPYADQQG-NSHDSACASA-N 0 1 219.332 2.483 20 0 BEADMN FC1(F)CCC[C@@H](COCCc2c[nH]nn2)C1 ZINC000419058495 192098952 /nfs/dbraw/zinc/09/89/52/192098952.db2.gz WALAZHYJBOMVOA-SECBINFHSA-N 0 1 245.273 2.189 20 0 BEADMN c1nc(C2CC2)oc1CN1CCC12CCOCC2 ZINC000628252947 346227562 /nfs/dbraw/zinc/22/75/62/346227562.db2.gz ORDFXLBIQCPQNM-UHFFFAOYSA-N 0 1 248.326 2.307 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)o1 ZINC000628254443 346239000 /nfs/dbraw/zinc/23/90/00/346239000.db2.gz BFGVQJYIOLUSQY-PWSUYJOCSA-N 0 1 238.331 2.108 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000336500621 187316967 /nfs/dbraw/zinc/31/69/67/187316967.db2.gz YXNDINPFLKAQAH-LBPRGKRZSA-N 0 1 221.348 2.288 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(CO)o1 ZINC000161157776 187317967 /nfs/dbraw/zinc/31/79/67/187317967.db2.gz RFNGTJNRYFWGMO-JTQLQIEISA-N 0 1 211.305 2.248 20 0 BEADMN CCc1cnc(CN[C@H]2CCOC2(C)C)s1 ZINC000294812561 346284753 /nfs/dbraw/zinc/28/47/53/346284753.db2.gz PVNCDTIQJLUYEU-JTQLQIEISA-N 0 1 240.372 2.363 20 0 BEADMN C/C=C\C[C@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC000626164811 346272290 /nfs/dbraw/zinc/27/22/90/346272290.db2.gz RKWNTCZSPBEOTO-DXTPNHAXSA-N 0 1 248.374 2.476 20 0 BEADMN C/C=C\C[C@H]1CCCN(Cc2cnnn2CC)C1 ZINC000626164811 346272292 /nfs/dbraw/zinc/27/22/92/346272292.db2.gz RKWNTCZSPBEOTO-DXTPNHAXSA-N 0 1 248.374 2.476 20 0 BEADMN CSc1ccc(CN[C@H]2C[C@H](O)C2(C)C)o1 ZINC000641749444 362669988 /nfs/dbraw/zinc/66/99/88/362669988.db2.gz SZCBWTDQKFNXKK-UWVGGRQHSA-N 0 1 241.356 2.251 20 0 BEADMN CSc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)o1 ZINC000641749447 362670003 /nfs/dbraw/zinc/67/00/03/362670003.db2.gz SZCBWTDQKFNXKK-ZJUUUORDSA-N 0 1 241.356 2.251 20 0 BEADMN CCN(CC(=O)N(C)c1ccccc1C)C1CC1 ZINC000623011525 346301724 /nfs/dbraw/zinc/30/17/24/346301724.db2.gz NCUKWCJFYZXSOW-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN C[C@@]1(C[N@@H+]2CCN3CCC2CC3)CCCS1 ZINC000628278858 346288279 /nfs/dbraw/zinc/28/82/79/346288279.db2.gz KNGYEDRJXWJGEL-ZDUSSCGKSA-N 0 1 240.416 2.052 20 0 BEADMN COCC(C)(C)CNc1cccc2[nH]nnc21 ZINC000641759349 362689643 /nfs/dbraw/zinc/68/96/43/362689643.db2.gz ZJUARECVLZVTMW-UHFFFAOYSA-N 0 1 234.303 2.042 20 0 BEADMN CCC1(C(=O)N(C)Cc2cn[nH]c2C)CCC1 ZINC000636067271 346307857 /nfs/dbraw/zinc/30/78/57/346307857.db2.gz OVMWFWMVTHRTBC-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN CN(CCC(C)(C)C)C(=O)[C@@H]1CCCCN1C ZINC000636063825 346308155 /nfs/dbraw/zinc/30/81/55/346308155.db2.gz VQYNVCLNGBUMKA-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN C=C/C(C)=C/CC(=O)N(C)Cc1cn[nH]c1C ZINC000636068424 346308898 /nfs/dbraw/zinc/30/88/98/346308898.db2.gz FVODGUKFVRYTQO-UXBLZVDNSA-N 0 1 233.315 2.199 20 0 BEADMN CC[C@H](C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000636068923 346310014 /nfs/dbraw/zinc/31/00/14/346310014.db2.gz UCZNNYAZCACRAI-VIFPVBQESA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1CCC=CCC1 ZINC000636073380 346312404 /nfs/dbraw/zinc/31/24/04/346312404.db2.gz KYSPGNDQUKOILL-UHFFFAOYSA-N 0 1 247.342 2.423 20 0 BEADMN CCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000074998418 346312461 /nfs/dbraw/zinc/31/24/61/346312461.db2.gz XENNQFXABCYIBL-UHFFFAOYSA-N 0 1 231.299 2.369 20 0 BEADMN Cc1cccc(C)c1OCCNCc1ncc[nH]1 ZINC000067695677 179046610 /nfs/dbraw/zinc/04/66/10/179046610.db2.gz TZMSJTJJAUGZFR-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN CC(C)Nc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000636200851 346350632 /nfs/dbraw/zinc/35/06/32/346350632.db2.gz HSKHIHZCKSRZMH-LLVKDONJSA-N 0 1 249.358 2.396 20 0 BEADMN C(NC1CC2(CCC2)C1)c1nnc(C2CC2)[nH]1 ZINC000333809131 187366309 /nfs/dbraw/zinc/36/63/09/187366309.db2.gz GCWXTHSNKQCUKS-UHFFFAOYSA-N 0 1 232.331 2.104 20 0 BEADMN CSc1ccc(CN[C@@H]2CO[C@H](C)C2)o1 ZINC000641767490 362703026 /nfs/dbraw/zinc/70/30/26/362703026.db2.gz KOBYVSKXELYLAT-BDAKNGLRSA-N 0 1 227.329 2.269 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156492 346338122 /nfs/dbraw/zinc/33/81/22/346338122.db2.gz SSJZQRWMQMIUNF-GMTAPVOTSA-N 0 1 235.331 2.160 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000636159993 346340555 /nfs/dbraw/zinc/34/05/55/346340555.db2.gz IYIOOWOQLHMFMW-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCCN1C ZINC000636167296 346342453 /nfs/dbraw/zinc/34/24/53/346342453.db2.gz FYDAOMOAXQUJIS-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@@H]1CCCCN1C ZINC000636167297 346342780 /nfs/dbraw/zinc/34/27/80/346342780.db2.gz FYDAOMOAXQUJIS-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCC[N@@H+](CC)Cc1cncc(C(=O)[O-])c1 ZINC000669379003 537973622 /nfs/dbraw/zinc/97/36/22/537973622.db2.gz RVXRJYHOOQKZLZ-UHFFFAOYSA-N 0 1 222.288 2.012 20 0 BEADMN CC[NH+]1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000157438256 346382992 /nfs/dbraw/zinc/38/29/92/346382992.db2.gz LIBCYQZOLZGUAJ-UHFFFAOYSA-N 0 1 243.354 2.305 20 0 BEADMN Cc1cccc(CN(C)CC2(CO)CC2)c1F ZINC000297078684 179064022 /nfs/dbraw/zinc/06/40/22/179064022.db2.gz ZZWUDEGGIQJDOF-UHFFFAOYSA-N 0 1 237.318 2.338 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2cccc(C)c2)[nH]1 ZINC000264887544 179064049 /nfs/dbraw/zinc/06/40/49/179064049.db2.gz UVCTWEVPJZZKAA-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1cccc(CN(C)[C@H]2CCCOC2)n1 ZINC000336553952 179072050 /nfs/dbraw/zinc/07/20/50/179072050.db2.gz LYWLLBDHADAKSI-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cccc(CN(C)C[C@H]2CCCO2)n1 ZINC000336690533 179064987 /nfs/dbraw/zinc/06/49/87/179064987.db2.gz BBOICJWHZMYJIG-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCc1nc(CN(C)c2cccc(C)c2)n[nH]1 ZINC000158229629 346391921 /nfs/dbraw/zinc/39/19/21/346391921.db2.gz JWCYBFWWBDOVDA-UHFFFAOYSA-N 0 1 230.315 2.312 20 0 BEADMN Cc1cccc(CN(C)CC[C@@H](C)O)c1F ZINC000294951415 179065583 /nfs/dbraw/zinc/06/55/83/179065583.db2.gz VQYSTYPWFIUWIC-LLVKDONJSA-N 0 1 225.307 2.337 20 0 BEADMN Cn1ccc(CN[C@H]2CCCC(F)(F)C2)n1 ZINC000381613280 346432197 /nfs/dbraw/zinc/43/21/97/346432197.db2.gz TYFAMVREJJJABY-VIFPVBQESA-N 0 1 229.274 2.088 20 0 BEADMN CC1(C)CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000069793542 349960741 /nfs/dbraw/zinc/96/07/41/349960741.db2.gz ZBVUTVIMPLWPNN-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1cccc(CN2CC[C@H](n3cccn3)C2)n1 ZINC000336447593 179082228 /nfs/dbraw/zinc/08/22/28/179082228.db2.gz IOTCRRRBCFPZOR-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN C[C@H](NCc1ccc2nc[nH]c2c1)C(F)F ZINC000641793104 362728436 /nfs/dbraw/zinc/72/84/36/362728436.db2.gz DJWCVXMYSMDEKK-ZETCQYMHSA-N 0 1 225.242 2.306 20 0 BEADMN c1cc(CNC23CC(c4ccccc4)(C2)C3)n[nH]1 ZINC000641790699 362728516 /nfs/dbraw/zinc/72/85/16/362728516.db2.gz QPNPIZVSVCHTSE-UHFFFAOYSA-N 0 1 239.322 2.374 20 0 BEADMN C[C@@H](NCc1ccc2nc[nH]c2c1)C(F)F ZINC000641793103 362728759 /nfs/dbraw/zinc/72/87/59/362728759.db2.gz DJWCVXMYSMDEKK-SSDOTTSWSA-N 0 1 225.242 2.306 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000641794811 362738074 /nfs/dbraw/zinc/73/80/74/362738074.db2.gz QJDFLBRPVPUDPH-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000641793671 362736811 /nfs/dbraw/zinc/73/68/11/362736811.db2.gz LLDRASSFIYVUIG-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000641793671 362736814 /nfs/dbraw/zinc/73/68/14/362736814.db2.gz LLDRASSFIYVUIG-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000641794811 362738081 /nfs/dbraw/zinc/73/80/81/362738081.db2.gz QJDFLBRPVPUDPH-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062936213 179082312 /nfs/dbraw/zinc/08/23/12/179082312.db2.gz COTGFJGIWUTJDR-AWEZNQCLSA-N 0 1 233.311 2.292 20 0 BEADMN Cc1noc(CN2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000334194350 346441178 /nfs/dbraw/zinc/44/11/78/346441178.db2.gz UFHQMRWXIBDMKK-NXEZZACHSA-N 0 1 223.320 2.246 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000641793296 362736042 /nfs/dbraw/zinc/73/60/42/362736042.db2.gz AANRYMULOCVTCP-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000641793296 362736046 /nfs/dbraw/zinc/73/60/46/362736046.db2.gz AANRYMULOCVTCP-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CC[C@H]1CN(CCOCC2CCC2)C[C@@H](C)O1 ZINC000419208563 192103529 /nfs/dbraw/zinc/10/35/29/192103529.db2.gz RCHLCTAINRJDAB-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CCCN(CCCOC)CC(=O)OC(C)(C)C ZINC000186301244 346501668 /nfs/dbraw/zinc/50/16/68/346501668.db2.gz FCNSJJNJHBEJIF-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN CC/C=C\CCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000342231818 346560415 /nfs/dbraw/zinc/56/04/15/346560415.db2.gz NCRQLPJBWHDWIZ-FGTRRKKMSA-N 0 1 236.359 2.086 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C ZINC000603473238 349973238 /nfs/dbraw/zinc/97/32/38/349973238.db2.gz USZYLJZQJVHNLI-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCN(CCOC(C)(C)C)C[C@@H]1F ZINC000679226350 488321816 /nfs/dbraw/zinc/32/18/16/488321816.db2.gz UFLLEXVPGZBTDF-QWRGUYRKSA-N 0 1 217.328 2.481 20 0 BEADMN C[C@@H]1C[C@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000580127650 346546160 /nfs/dbraw/zinc/54/61/60/346546160.db2.gz VVFSFSPULRQEAJ-ZJUUUORDSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000580127650 346546162 /nfs/dbraw/zinc/54/61/62/346546162.db2.gz VVFSFSPULRQEAJ-ZJUUUORDSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000621043575 346585618 /nfs/dbraw/zinc/58/56/18/346585618.db2.gz FANJCYDRCVCDPI-MNOVXSKESA-N 0 1 249.358 2.093 20 0 BEADMN Cc1cccc(NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000263765010 179128005 /nfs/dbraw/zinc/12/80/05/179128005.db2.gz VOTJNTKXSVPMJI-GFCCVEGCSA-N 0 1 232.327 2.275 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000390520471 259391612 /nfs/dbraw/zinc/39/16/12/259391612.db2.gz FENICKZVAWGPCZ-HOSYDEDBSA-N 0 1 224.304 2.201 20 0 BEADMN CCc1nc(CNC[C@@](C)(O)C(C)C)cs1 ZINC000304060419 346646435 /nfs/dbraw/zinc/64/64/35/346646435.db2.gz OONNDDFFKLLZEQ-GFCCVEGCSA-N 0 1 242.388 2.202 20 0 BEADMN COC[C@]1(C)CN(Cc2ccccc2C)CCO1 ZINC000626170471 346672028 /nfs/dbraw/zinc/67/20/28/346672028.db2.gz HKXBTKHYWIBVIA-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN c1ccc2c(CNCc3cccnc3)n[nH]c2c1 ZINC000589634217 346719986 /nfs/dbraw/zinc/71/99/86/346719986.db2.gz RTKMOFIFWIIRIP-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CCCCOCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589646647 346722119 /nfs/dbraw/zinc/72/21/19/346722119.db2.gz GOEHDHNAMRJGTP-UHFFFAOYSA-N 0 1 247.342 2.469 20 0 BEADMN CSCCCN(C)Cc1oc(C)nc1C ZINC000589266579 346682261 /nfs/dbraw/zinc/68/22/61/346682261.db2.gz FZVGBQKQWKANQO-UHFFFAOYSA-N 0 1 228.361 2.476 20 0 BEADMN Cc1cccc(NCCCn2ccnc2)n1 ZINC000037670620 179144961 /nfs/dbraw/zinc/14/49/61/179144961.db2.gz QJXHBRAHXGGZCK-UHFFFAOYSA-N 0 1 216.288 2.089 20 0 BEADMN CCCc1cc(C(=O)N2CCC[C@H]2CC)n[nH]1 ZINC000589950156 346756784 /nfs/dbraw/zinc/75/67/84/346756784.db2.gz ZAVMBXGUEONCJM-LLVKDONJSA-N 0 1 235.331 2.377 20 0 BEADMN CCn1ccnc1CNCCc1ccc(C)o1 ZINC000589836949 346742367 /nfs/dbraw/zinc/74/23/67/346742367.db2.gz IQRHDJOMFLVKBJ-UHFFFAOYSA-N 0 1 233.315 2.137 20 0 BEADMN Cc1cccc(OCCSc2cn[nH]n2)c1 ZINC000268167096 179169969 /nfs/dbraw/zinc/16/99/69/179169969.db2.gz PTOYZXFGRYOIIF-UHFFFAOYSA-N 0 1 235.312 2.284 20 0 BEADMN CCCCOCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000345355884 365862695 /nfs/dbraw/zinc/86/26/95/365862695.db2.gz NWSTVSQNZVELJJ-NWDGAFQWSA-N 0 1 237.347 2.295 20 0 BEADMN CCc1nc(CN2CCc3ccc(F)cc32)n[nH]1 ZINC000184599109 347168662 /nfs/dbraw/zinc/16/86/62/347168662.db2.gz XXGGRVORKIRVOP-UHFFFAOYSA-N 0 1 246.289 2.069 20 0 BEADMN CCc1cnc(CNC[C@](C)(O)C(C)C)s1 ZINC000309645034 347129377 /nfs/dbraw/zinc/12/93/77/347129377.db2.gz LXWGJFLQBMVLQJ-LBPRGKRZSA-N 0 1 242.388 2.202 20 0 BEADMN CCc1nc(CN2c3ccccc3C[C@@H]2C)n[nH]1 ZINC000185171731 347192364 /nfs/dbraw/zinc/19/23/64/347192364.db2.gz OVLGFFZPWQTZAH-JTQLQIEISA-N 0 1 242.326 2.318 20 0 BEADMN CCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000185461359 347202444 /nfs/dbraw/zinc/20/24/44/347202444.db2.gz QTKASXUGUXSGPG-LLVKDONJSA-N 0 1 224.373 2.447 20 0 BEADMN CCc1nc(CNC[C@H](CO)C(C)C)cs1 ZINC000309974952 347208821 /nfs/dbraw/zinc/20/88/21/347208821.db2.gz RZCVOBWNEJESNK-SNVBAGLBSA-N 0 1 242.388 2.060 20 0 BEADMN CCCC[C@H](C)[C@@H](C)NCc1ncn(C)n1 ZINC000310011580 347218671 /nfs/dbraw/zinc/21/86/71/347218671.db2.gz IUAKIWSARMSXFL-WDEREUQCSA-N 0 1 224.352 2.120 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@H]2C)o1 ZINC000390584562 259394579 /nfs/dbraw/zinc/39/45/79/259394579.db2.gz XVVSIGHPDLDZKO-KXUCPTDWSA-N 0 1 223.320 2.471 20 0 BEADMN Cc1cccc([C@H](C)N2CCOCC2)c1 ZINC000075589757 179194168 /nfs/dbraw/zinc/19/41/68/179194168.db2.gz HZZFQJIUMMAXND-LBPRGKRZSA-N 0 1 205.301 2.388 20 0 BEADMN CC(C)(C)n1cc(CN[C@H]2CCC2(C)C)nn1 ZINC000310264984 347253345 /nfs/dbraw/zinc/25/33/45/347253345.db2.gz HEIIWHFSURLOQR-NSHDSACASA-N 0 1 236.363 2.311 20 0 BEADMN CO[C@@H]([C@H](C)NCc1csc(C)n1)C1CC1 ZINC000388278575 347286699 /nfs/dbraw/zinc/28/66/99/347286699.db2.gz KDLCOUWBJTZOSQ-UFBFGSQYSA-N 0 1 240.372 2.355 20 0 BEADMN CCCN(C)CC(=O)N(C)c1ccccc1C ZINC000623047124 347296486 /nfs/dbraw/zinc/29/64/86/347296486.db2.gz LENTZIZXJUZYBJ-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627372832 347256595 /nfs/dbraw/zinc/25/65/95/347256595.db2.gz XWRYOGNQTCSCMA-WDEREUQCSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@H]1CN(CCOCC2CCC2)CC(C)(C)O1 ZINC000419210339 192105314 /nfs/dbraw/zinc/10/53/14/192105314.db2.gz QMHKSJLJQMISIH-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCCCOCCN[C@@H](C)c1nccnc1C ZINC000187891474 347267199 /nfs/dbraw/zinc/26/71/99/347267199.db2.gz VFGFYBZGXUUPME-LBPRGKRZSA-N 0 1 237.347 2.252 20 0 BEADMN CO[C@@H]([C@H](C)N[C@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000388297501 347300158 /nfs/dbraw/zinc/30/01/58/347300158.db2.gz LVECLZSEIBLOLK-URBCHYCLSA-N 0 1 249.358 2.292 20 0 BEADMN CC(C)OCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000310409915 347280435 /nfs/dbraw/zinc/28/04/35/347280435.db2.gz ITJPZYCNEJEHMB-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CO[C@H]([C@H](C)NCc1cscn1)C1CC1 ZINC000388272102 347281881 /nfs/dbraw/zinc/28/18/81/347281881.db2.gz HMLCTPNKVKRURX-GZMMTYOYSA-N 0 1 226.345 2.046 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)CCS1 ZINC000188558310 347283902 /nfs/dbraw/zinc/28/39/02/347283902.db2.gz MVQMVNHWKWMWKW-SDDRHHMPSA-N 0 1 229.389 2.381 20 0 BEADMN CCN1CCCN([C@@H](C)c2ccccc2)CC1=O ZINC000190214166 347323864 /nfs/dbraw/zinc/32/38/64/347323864.db2.gz SKFALXXCVFEZCO-ZDUSSCGKSA-N 0 1 246.354 2.302 20 0 BEADMN Cc1cccc2c1CN(Cc1cncn1C)CC2 ZINC000277203668 179216863 /nfs/dbraw/zinc/21/68/63/179216863.db2.gz MSRJQQJCNGAKQP-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CCN(CC=C(C)C)C[C@@H](O)C(F)(F)F ZINC000189491146 347303456 /nfs/dbraw/zinc/30/34/56/347303456.db2.gz WCTUYDLRRLQJMJ-SECBINFHSA-N 0 1 225.254 2.198 20 0 BEADMN C[C@H]1CCC[C@@]1(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627373473 347373694 /nfs/dbraw/zinc/37/36/94/347373694.db2.gz SIGWDTXVEHAUNH-IINYFYTJSA-N 0 1 247.342 2.121 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000616921140 347450174 /nfs/dbraw/zinc/45/01/74/347450174.db2.gz GPULETGCFGKKSE-CMPLNLGQSA-N 0 1 249.358 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000616922143 347452696 /nfs/dbraw/zinc/45/26/96/347452696.db2.gz QVKNYYLEBULOIF-LLVKDONJSA-N 0 1 247.342 2.339 20 0 BEADMN CCc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616922123 347452702 /nfs/dbraw/zinc/45/27/02/347452702.db2.gz QIAJLDYHTLKSRC-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN CC[C@@H](C)CCC(=O)N(C)Cc1cnc[nH]1 ZINC000616928726 347494911 /nfs/dbraw/zinc/49/49/11/347494911.db2.gz JYDBGNRVZMVLCL-SNVBAGLBSA-N 0 1 223.320 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC(C)(C)C1CC1 ZINC000616928543 347495255 /nfs/dbraw/zinc/49/52/55/347495255.db2.gz DVMXIEUGYHLZAU-UHFFFAOYSA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000616973857 347544945 /nfs/dbraw/zinc/54/49/45/347544945.db2.gz FCANZJBJJQZNSR-GHMZBOCLSA-N 0 1 237.347 2.235 20 0 BEADMN CCc1noc(CN2CCC[C@@H]2C2CC2)n1 ZINC000590787943 347557835 /nfs/dbraw/zinc/55/78/35/347557835.db2.gz OBNDKUUHEUFVIE-SNVBAGLBSA-N 0 1 221.304 2.006 20 0 BEADMN CCCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000197359701 347572360 /nfs/dbraw/zinc/57/23/60/347572360.db2.gz BOAMAQRDBJOEOQ-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Cc1ccccc1CCCN(C)Cc1nnc[nH]1 ZINC000175912441 179261270 /nfs/dbraw/zinc/26/12/70/179261270.db2.gz GSIFPBUPWFTIHG-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC(C)(C)O ZINC000082419159 347584310 /nfs/dbraw/zinc/58/43/10/347584310.db2.gz DHKCDUKZYKJEML-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1ccccc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042307383 179270516 /nfs/dbraw/zinc/27/05/16/179270516.db2.gz UTHCSLWRYGTIRS-LLVKDONJSA-N 0 1 221.300 2.148 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000008321157 179274139 /nfs/dbraw/zinc/27/41/39/179274139.db2.gz MKNJNWGZYOXWSG-GFCCVEGCSA-N 0 1 219.284 2.044 20 0 BEADMN C[C@@]1(F)CCN(CCOCC2CCC2)C1 ZINC000419230684 192108061 /nfs/dbraw/zinc/10/80/61/192108061.db2.gz QFVWCTFRVVWXJA-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN CCOc1ccc(CNCc2cn[nH]c2)cc1F ZINC000592288995 347765503 /nfs/dbraw/zinc/76/55/03/347765503.db2.gz IBHHXCLRYXCKLI-UHFFFAOYSA-N 0 1 249.289 2.237 20 0 BEADMN CSCCCCc1nc([C@H]2CCCN2)no1 ZINC000592356913 347772815 /nfs/dbraw/zinc/77/28/15/347772815.db2.gz KNBPWGSLYXUQHL-SECBINFHSA-N 0 1 241.360 2.180 20 0 BEADMN CCN(CCSC)Cc1n[nH]c(C(C)C)n1 ZINC000592202975 347754480 /nfs/dbraw/zinc/75/44/80/347754480.db2.gz UEGCKAVWCXCUOR-UHFFFAOYSA-N 0 1 242.392 2.113 20 0 BEADMN CCc1nocc1CN(CC)CCSC ZINC000592526483 347795582 /nfs/dbraw/zinc/79/55/82/347795582.db2.gz BAWGGYVZYKEYHT-UHFFFAOYSA-N 0 1 228.361 2.422 20 0 BEADMN CC[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049568 347843765 /nfs/dbraw/zinc/84/37/65/347843765.db2.gz UOXDYQHGJRXJBO-UWVGGRQHSA-N 0 1 213.321 2.201 20 0 BEADMN CCN1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049568 347843768 /nfs/dbraw/zinc/84/37/68/347843768.db2.gz UOXDYQHGJRXJBO-UWVGGRQHSA-N 0 1 213.321 2.201 20 0 BEADMN CCSCCN1C[C@@H](CC)OC[C@@H]1C ZINC000593064832 347849912 /nfs/dbraw/zinc/84/99/12/347849912.db2.gz VPNFXCKNXIUPEX-WDEREUQCSA-N 0 1 217.378 2.239 20 0 BEADMN CC[C@H](F)C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000577389726 365942739 /nfs/dbraw/zinc/94/27/39/365942739.db2.gz NOEXPIBWCGKRDD-ZRUFSTJUSA-N 0 1 231.311 2.308 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC1OCCO1 ZINC000272003122 179317724 /nfs/dbraw/zinc/31/77/24/179317724.db2.gz ASADBYSHZMVXLB-GFCCVEGCSA-N 0 1 235.327 2.361 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)N1CCNC[C@@H]1C ZINC000577371352 365936540 /nfs/dbraw/zinc/93/65/40/365936540.db2.gz ZYTYKLIMMCZGBT-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](CN1CCCC[C@@H]1c1cc[nH]n1)OC ZINC000419268363 192110018 /nfs/dbraw/zinc/11/00/18/192110018.db2.gz MHNUBEOQUDGCTJ-DGCLKSJQSA-N 0 1 237.347 2.362 20 0 BEADMN Cc1ccccc1[C@@H](NC(=O)CN(C)C)C(C)C ZINC000173678530 179325351 /nfs/dbraw/zinc/32/53/51/179325351.db2.gz SEJQLEMSZIDLLR-HNNXBMFYSA-N 0 1 248.370 2.370 20 0 BEADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000082717640 179334952 /nfs/dbraw/zinc/33/49/52/179334952.db2.gz OFOMJFOYZHNNQO-NSHDSACASA-N 0 1 221.300 2.463 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC(=O)N1CCC1 ZINC000298869942 179334087 /nfs/dbraw/zinc/33/40/87/179334087.db2.gz WWUJESKKDOPTIV-ZDUSSCGKSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1cc(CNC(=O)c2cccc(C)c2C)n[nH]1 ZINC000603489843 349981627 /nfs/dbraw/zinc/98/16/27/349981627.db2.gz WHXIUFSKBIPOQT-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)CC(C)C ZINC000296508667 179342258 /nfs/dbraw/zinc/34/22/58/179342258.db2.gz RJGMVHQCBRVQEN-ZDUSSCGKSA-N 0 1 234.343 2.109 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC(C)CC1 ZINC000257652711 179342266 /nfs/dbraw/zinc/34/22/66/179342266.db2.gz CCAYZBLTKDQHGD-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C ZINC000295308934 179343388 /nfs/dbraw/zinc/34/33/88/179343388.db2.gz YHHGDAJWRJJFSO-BNOWGMLFSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@]1(F)CCN(CCCO)C1 ZINC000374321064 179352455 /nfs/dbraw/zinc/35/24/55/179352455.db2.gz PJRJTFMCFBUSBB-AWEZNQCLSA-N 0 1 237.318 2.248 20 0 BEADMN CC/C=C\CNCc1cc(C(=O)OC)oc1C ZINC000594609626 348082397 /nfs/dbraw/zinc/08/23/97/348082397.db2.gz LXGJDQIWVXNRCK-WAYWQWQTSA-N 0 1 237.299 2.430 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(C[C@H]1C[C@H]1C)C2 ZINC000617099106 348085543 /nfs/dbraw/zinc/08/55/43/348085543.db2.gz UFRLKDQWGQIEQX-ZWNOBZJWSA-N 0 1 245.322 2.445 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(C)cc2C)n[nH]1 ZINC000603489920 349981767 /nfs/dbraw/zinc/98/17/67/349981767.db2.gz YXORXMDYUNTTHO-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CCc1nc([C@@H](C)[S@](=O)C(CC)CC)n[nH]1 ZINC000594665216 348094820 /nfs/dbraw/zinc/09/48/20/348094820.db2.gz URFXMQPKAFUDFZ-BCTVWOGZSA-N 0 1 243.376 2.365 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)C[C@@H](C)CC)n[nH]1 ZINC000594667669 348096422 /nfs/dbraw/zinc/09/64/22/348096422.db2.gz YTQZFLKKKJGHOS-BEPCFFQHSA-N 0 1 243.376 2.223 20 0 BEADMN CS[C@@H](C)CNCc1nccn1C(C)C ZINC000594949380 348147396 /nfs/dbraw/zinc/14/73/96/348147396.db2.gz CVDSVSIHIGJKNH-JTQLQIEISA-N 0 1 227.377 2.305 20 0 BEADMN C[C@@H]1N(CCOCC2CCC2)CCOC1(C)C ZINC000419233099 192112387 /nfs/dbraw/zinc/11/23/87/192112387.db2.gz LAUJSTKDEWQMJN-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCOC(=O)CN(C)C[C@H](CC)CC(F)F ZINC000595297646 348216816 /nfs/dbraw/zinc/21/68/16/348216816.db2.gz IJJCRCVDVRJTEA-SECBINFHSA-N 0 1 237.290 2.163 20 0 BEADMN CCn1ccc(CN[C@H](C)CSCCF)n1 ZINC000595050051 348180935 /nfs/dbraw/zinc/18/09/35/348180935.db2.gz FFXSPSRNPJVDRH-SNVBAGLBSA-N 0 1 245.367 2.084 20 0 BEADMN COC(=O)[C@H](C)N(C)CCCC1CCC1 ZINC000595476127 348251429 /nfs/dbraw/zinc/25/14/29/348251429.db2.gz QXJITZWBWONZHE-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1CN(CCC2CCC2)C[C@@H](C)S1=O ZINC000595454761 348254721 /nfs/dbraw/zinc/25/47/21/348254721.db2.gz NHRBWIGJGIMPFN-GHMZBOCLSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@H]1CCN(CCCC2CCC2)CC[S@@]1=O ZINC000595458592 348256122 /nfs/dbraw/zinc/25/61/22/348256122.db2.gz IXZCWVZMDQQOHC-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN COc1cc(CN2CC[C@@H](SC)C2)sn1 ZINC000595523004 348270152 /nfs/dbraw/zinc/27/01/52/348270152.db2.gz KQISEGRFFFHDFZ-MRVPVSSYSA-N 0 1 244.385 2.089 20 0 BEADMN COC(=O)CN(CCSC)C1CCCCC1 ZINC000595664993 348301723 /nfs/dbraw/zinc/30/17/23/348301723.db2.gz WCNPYMBNXMJQRI-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC000595742210 348319980 /nfs/dbraw/zinc/31/99/80/348319980.db2.gz XSFWJCPEDSHKQB-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@@H]2C[C@@H]2C1 ZINC000595808290 348348881 /nfs/dbraw/zinc/34/88/81/348348881.db2.gz CMBUKYYESYKGHI-IJLUTSLNSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]3C[C@@H]3C2)oc1C ZINC000595810660 348349905 /nfs/dbraw/zinc/34/99/05/348349905.db2.gz ZLOMGWVAXILBDA-GHMZBOCLSA-N 0 1 249.310 2.216 20 0 BEADMN CCOC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595837051 348371149 /nfs/dbraw/zinc/37/11/49/348371149.db2.gz OFXBPCKOBASZDL-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN COC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595873254 348386975 /nfs/dbraw/zinc/38/69/75/348386975.db2.gz ZIZIMOCDBDYEBL-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCSCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000309098000 349986124 /nfs/dbraw/zinc/98/61/24/349986124.db2.gz HPRBVINTRAQDCC-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1N[C@H](C(N)=O)c1ccccc1 ZINC000419329919 192123926 /nfs/dbraw/zinc/12/39/26/192123926.db2.gz PFFDXVUBADEJNP-YDHLFZDLSA-N 0 1 246.354 2.237 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419336139 192124482 /nfs/dbraw/zinc/12/44/82/192124482.db2.gz IKELYLLKDXMZCT-TUAOUCFPSA-N 0 1 236.363 2.164 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H](C)C2CC2)[nH]1 ZINC001639423360 1172104864 /nfs/dbraw/zinc/10/48/64/1172104864.db2.gz GWUQCXPOUVSBNW-VIFPVBQESA-N 0 1 235.331 2.195 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)C[C@@H]1CC1(C)C ZINC000595911999 348398926 /nfs/dbraw/zinc/39/89/26/348398926.db2.gz IEERYHVJSMLZPS-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CS[C@H](C)C2)n1 ZINC000397840892 362922632 /nfs/dbraw/zinc/92/26/32/362922632.db2.gz BWUINUCLPRVIQX-ZYHUDNBSSA-N 0 1 239.388 2.448 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@H](C)[C@H]2C)s1 ZINC000419376008 192129508 /nfs/dbraw/zinc/12/95/08/192129508.db2.gz SMPMKDDHKIQRST-XHNCKOQMSA-N 0 1 225.361 2.323 20 0 BEADMN C[C@@H]1CN(Cc2nc(C3CC3)no2)[C@@H](C)[C@H]1C ZINC000419399483 192130861 /nfs/dbraw/zinc/13/08/61/192130861.db2.gz YZYDYQSWCLLXKK-UTLUCORTSA-N 0 1 235.331 2.423 20 0 BEADMN C[C@@H]1CN(Cc2cn(CC3CC3)nn2)[C@@H](C)[C@H]1C ZINC000419364637 192128404 /nfs/dbraw/zinc/12/84/04/192128404.db2.gz WZNQVAJFZRVVNQ-WOPDTQHZSA-N 0 1 248.374 2.164 20 0 BEADMN Cc1ccnc(NC[C@@H](CO)C(C)C)c1 ZINC000309008951 179447170 /nfs/dbraw/zinc/44/71/70/179447170.db2.gz QYYHQSBZSGBCME-NSHDSACASA-N 0 1 208.305 2.066 20 0 BEADMN CCN(C[C@H]1CCCO1)[C@H](C)c1cnccn1 ZINC000274313533 538006331 /nfs/dbraw/zinc/00/63/31/538006331.db2.gz GOSJCIWZTFSMPL-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN COC(=O)C[C@H](CNc1cc(C)ccn1)C1CC1 ZINC000596494002 348561058 /nfs/dbraw/zinc/56/10/58/348561058.db2.gz VQLRNJRYLMOZII-GFCCVEGCSA-N 0 1 248.326 2.391 20 0 BEADMN Cc1cc(CN2CCC(OC(C)C)CC2)on1 ZINC000531402492 348626537 /nfs/dbraw/zinc/62/65/37/348626537.db2.gz FHECIMZXNKMESO-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cscn2)C1(C)C ZINC000082784221 348726057 /nfs/dbraw/zinc/72/60/57/348726057.db2.gz XWJGOWDGVLVSBY-QWRGUYRKSA-N 0 1 240.372 2.436 20 0 BEADMN CSCC1(CCNCc2csnn2)CC1 ZINC000597187561 348684657 /nfs/dbraw/zinc/68/46/57/348684657.db2.gz QTMHAIUNOCWEOZ-UHFFFAOYSA-N 0 1 243.401 2.161 20 0 BEADMN CC[C@@H](C)[N@@H+](CCSC(C)C)CC(=O)[O-] ZINC000308807393 348696221 /nfs/dbraw/zinc/69/62/21/348696221.db2.gz OZVWYAFBVUMISU-SNVBAGLBSA-N 0 1 233.377 2.313 20 0 BEADMN CCCCN(CCCC)c1nccnc1CN ZINC000054377049 1172109108 /nfs/dbraw/zinc/10/91/08/1172109108.db2.gz CKZCWZJADDRKKU-UHFFFAOYSA-N 0 1 236.363 2.342 20 0 BEADMN c1cc2[nH]nnc2c(NC[C@@H]2CCSC2)c1 ZINC000623051442 348914657 /nfs/dbraw/zinc/91/46/57/348914657.db2.gz AMUSOTXNAAJPOW-QMMMGPOBSA-N 0 1 234.328 2.123 20 0 BEADMN CCC(CC)(CCO)CNCc1ncc(C)o1 ZINC000638702228 352540970 /nfs/dbraw/zinc/54/09/70/352540970.db2.gz ZIUWIYVZNCYNRN-UHFFFAOYSA-N 0 1 240.347 2.261 20 0 BEADMN COC(=O)CC1CCC(NCC(C)(F)F)CC1 ZINC000599048398 349082790 /nfs/dbraw/zinc/08/27/90/349082790.db2.gz NIRILKMRKCLSFR-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN C/C=C\CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000599084892 349089704 /nfs/dbraw/zinc/08/97/04/349089704.db2.gz UGMMVXSGNFEDOP-XRVBUDJMSA-N 0 1 223.272 2.293 20 0 BEADMN CCCc1cc(C(=O)N2CCC3(CC3)CC2)n[nH]1 ZINC000598910074 349061150 /nfs/dbraw/zinc/06/11/50/349061150.db2.gz QTMYLGKRMPCQSZ-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN Cc1nc(CN[C@H]2CCS[C@H]2C)cs1 ZINC000220561003 490226607 /nfs/dbraw/zinc/22/66/07/490226607.db2.gz ZVSGZCVUBBBBCY-XVKPBYJWSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)n1 ZINC000248718775 349147031 /nfs/dbraw/zinc/14/70/31/349147031.db2.gz FWKAMTLQWUXJHG-GDPRMGEGSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@H](C)[C@H]2C)n1 ZINC000248718775 349147034 /nfs/dbraw/zinc/14/70/34/349147034.db2.gz FWKAMTLQWUXJHG-GDPRMGEGSA-N 0 1 235.331 2.282 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccsc2)C1 ZINC000062935381 349130051 /nfs/dbraw/zinc/13/00/51/349130051.db2.gz DJCPYKGGOKEDRO-LLVKDONJSA-N 0 1 225.313 2.045 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@H]2C)o1 ZINC000248535704 349136116 /nfs/dbraw/zinc/13/61/16/349136116.db2.gz YUTJVLIQRHFXCQ-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@H]2C)o1 ZINC000248535702 349136283 /nfs/dbraw/zinc/13/62/83/349136283.db2.gz YUTJVLIQRHFXCQ-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)[O-])C1CCCCC1 ZINC000308947264 349179648 /nfs/dbraw/zinc/17/96/48/349179648.db2.gz SSVQBJLJEVXJMP-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000599351590 349156026 /nfs/dbraw/zinc/15/60/26/349156026.db2.gz AIZXNIUMVRZWPS-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccncc1Cl ZINC000421856086 192389349 /nfs/dbraw/zinc/38/93/49/192389349.db2.gz NKBSZLXFVVMBJM-LNLATYFQSA-N 0 1 240.734 2.299 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)C[C@H]1CCCO1 ZINC000252751028 349209285 /nfs/dbraw/zinc/20/92/85/349209285.db2.gz GLYAJSSNQFKNNL-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000253160932 349227946 /nfs/dbraw/zinc/22/79/46/349227946.db2.gz UFFDFQBADIEJQN-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCCN(CC(=O)OC)C[C@@]1(C)CCCS1 ZINC000600106002 349288114 /nfs/dbraw/zinc/28/81/14/349288114.db2.gz GPLLNKFJOAPQDX-GFCCVEGCSA-N 0 1 245.388 2.157 20 0 BEADMN O=C([O-])[C@@H]1CSCC[N@H+]1CCC1CCCC1 ZINC000300727554 349292349 /nfs/dbraw/zinc/29/23/49/349292349.db2.gz DOXOSZFYBWKCDR-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN C/C=C/C[C@H]1CCCN(CC(=O)OCC)C1 ZINC000599692811 349246321 /nfs/dbraw/zinc/24/63/21/349246321.db2.gz XXPVXZUJBXCNNI-PYEVWLCESA-N 0 1 225.332 2.228 20 0 BEADMN C/C=C/C[C@@H]1CCCN(CC(=O)OCC)C1 ZINC000599692810 349246697 /nfs/dbraw/zinc/24/66/97/349246697.db2.gz XXPVXZUJBXCNNI-OGOUPESXSA-N 0 1 225.332 2.228 20 0 BEADMN CCc1nc(CN[C@H](C)c2cccs2)n[nH]1 ZINC000184686253 349282876 /nfs/dbraw/zinc/28/28/76/349282876.db2.gz RKFNCUDQJOAQPH-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN Cc1ncc(CNCCOCC2CCCC2)o1 ZINC000628304760 349335780 /nfs/dbraw/zinc/33/57/80/349335780.db2.gz QKPXHWMGLOIELL-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN C[N@@H+](C/C=C/c1ccccc1)C(C)(C)C(=O)[O-] ZINC000061172946 349364477 /nfs/dbraw/zinc/36/44/77/349364477.db2.gz NSUSPZSZMIAUKS-JXMROGBWSA-N 0 1 233.311 2.495 20 0 BEADMN CCC(CC)N[C@@H](C)c1nc(C(=O)OC)co1 ZINC000601930360 349384040 /nfs/dbraw/zinc/38/40/40/349384040.db2.gz HMOKOFZHZILIHX-QMMMGPOBSA-N 0 1 240.303 2.300 20 0 BEADMN CC[C@@H](NCC[N@@H+](C)CC)c1ccc(F)cn1 ZINC000161333376 349424243 /nfs/dbraw/zinc/42/42/43/349424243.db2.gz SOGTZBKRKLIESZ-GFCCVEGCSA-N 0 1 239.338 2.213 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2cnc(C3CC3)o2)O1 ZINC000628305421 350102033 /nfs/dbraw/zinc/10/20/33/350102033.db2.gz ANUMICNOIOOVLT-ONGXEEELSA-N 0 1 236.315 2.209 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2cnc(C3CC3)o2)O1 ZINC000628305420 350102442 /nfs/dbraw/zinc/10/24/42/350102442.db2.gz ANUMICNOIOOVLT-MWLCHTKSSA-N 0 1 236.315 2.209 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000309158516 350109027 /nfs/dbraw/zinc/10/90/27/350109027.db2.gz FGDMXMUNJSBBMP-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)[nH]1 ZINC000294640816 180010086 /nfs/dbraw/zinc/01/00/86/180010086.db2.gz QOMWELLJYPOIIH-OYNCUSHFSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCCC(C)(C)C2)[nH]1 ZINC000178868595 180011457 /nfs/dbraw/zinc/01/14/57/180011457.db2.gz BGHBPECENXZXCD-VIFPVBQESA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nc([C@@H](C)NCCC(C)(C)O)cs1 ZINC000273262878 180034527 /nfs/dbraw/zinc/03/45/27/180034527.db2.gz GANJTHQWJLKCPI-MRVPVSSYSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nc([C@@H](C)NCCC2(O)CCC2)cs1 ZINC000284402085 180035792 /nfs/dbraw/zinc/03/57/92/180035792.db2.gz PUKGEURJVBSORX-SECBINFHSA-N 0 1 240.372 2.407 20 0 BEADMN CC(C)SCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000309165922 350114521 /nfs/dbraw/zinc/11/45/21/350114521.db2.gz WEGJTXKGSJNKQI-NSHDSACASA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CO)C(C)C)cs1 ZINC000086120359 180038408 /nfs/dbraw/zinc/03/84/08/180038408.db2.gz FWKKWQVUHXWWMI-PSASIEDQSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc([C@H](C)N2CCc3ccc(F)cc32)n[nH]1 ZINC000336281844 180047321 /nfs/dbraw/zinc/04/73/21/180047321.db2.gz LKPYAZJWXXDPMZ-QMMMGPOBSA-N 0 1 246.289 2.376 20 0 BEADMN Cc1nc([C@H](C)NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000334666181 180048680 /nfs/dbraw/zinc/04/86/80/180048680.db2.gz POFLEYFKXQNORR-ZANVPECISA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc2cccc(C(=O)NOCC(C)C)c2[nH]1 ZINC000284450464 180061229 /nfs/dbraw/zinc/06/12/29/180061229.db2.gz QYMTXOIAYTYZHC-UHFFFAOYSA-N 0 1 247.298 2.189 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](C)C2)[nH]1 ZINC000283464356 180062044 /nfs/dbraw/zinc/06/20/44/180062044.db2.gz LWMOLYYJSLUALJ-SECBINFHSA-N 0 1 243.310 2.353 20 0 BEADMN Cc1nc2cccc(C(=O)NC3CC(C)C3)c2[nH]1 ZINC000284469673 180062061 /nfs/dbraw/zinc/06/20/61/180062061.db2.gz SMNMSYPLIAQYRG-UHFFFAOYSA-N 0 1 243.310 2.400 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C)[C@@H]2C)[nH]1 ZINC000294215238 180062428 /nfs/dbraw/zinc/06/24/28/180062428.db2.gz RDVCEBLBVHOXHC-BDAKNGLRSA-N 0 1 243.310 2.352 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H]2C)[nH]1 ZINC000283925827 180062792 /nfs/dbraw/zinc/06/27/92/180062792.db2.gz KGSPFTYPPLRTDY-VIFPVBQESA-N 0 1 243.310 2.496 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000304187463 350148234 /nfs/dbraw/zinc/14/82/34/350148234.db2.gz PPPNPSPJZBCSAZ-ZJUUUORDSA-N 0 1 247.285 2.218 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000304187461 350148292 /nfs/dbraw/zinc/14/82/92/350148292.db2.gz PPPNPSPJZBCSAZ-UWVGGRQHSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1nc2ccc(NC(=O)C(C)C)cc2[nH]1 ZINC000065006360 180081307 /nfs/dbraw/zinc/08/13/07/180081307.db2.gz SRCMLEOJZUCDOI-UHFFFAOYSA-N 0 1 217.272 2.466 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1ccc2cncn2c1 ZINC001639572508 1172119211 /nfs/dbraw/zinc/11/92/11/1172119211.db2.gz MGZCBOZWULRTHV-NSHDSACASA-N 0 1 229.283 2.319 20 0 BEADMN Cc1ccccc1[C@@H]1CN(CC(C)(C)O)CCO1 ZINC000304335156 350154661 /nfs/dbraw/zinc/15/46/61/350154661.db2.gz RUWFNPNBFHPINL-AWEZNQCLSA-N 0 1 249.354 2.139 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H]3CC[C@H]3C)c2[nH]1 ZINC000336379219 180099524 /nfs/dbraw/zinc/09/95/24/180099524.db2.gz WSZGIMUOHBKKRZ-KCJUWKMLSA-N 0 1 243.310 2.400 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3C[C@H]3C)c2[nH]1 ZINC000336384651 180100208 /nfs/dbraw/zinc/10/02/08/180100208.db2.gz XZASGSOIYWCLSO-RDDDGLTNSA-N 0 1 229.283 2.010 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCCC12CCCCC2 ZINC000334295246 538063668 /nfs/dbraw/zinc/06/36/68/538063668.db2.gz VYPHJEAINKIUFO-UHFFFAOYSA-N 0 1 247.342 2.278 20 0 BEADMN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCOC1)CO2 ZINC000334290656 538063846 /nfs/dbraw/zinc/06/38/46/538063846.db2.gz CLAMJIWJWCAVMY-ZYHUDNBSSA-N 0 1 237.274 2.028 20 0 BEADMN Cc1ncc(CN(C)C[C@@H](O)C(C)(C)C)s1 ZINC000284318805 180138681 /nfs/dbraw/zinc/13/86/81/180138681.db2.gz POFTYTSTLNMODO-LLVKDONJSA-N 0 1 242.388 2.290 20 0 BEADMN Cc1nc2cc(NCc3ncc[nH]3)ccc2n1C ZINC000151962426 538066448 /nfs/dbraw/zinc/06/64/48/538066448.db2.gz GOPGIDLSYDOMHB-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Fc1ccc2c(c1)[C@H](N[C@H]1CCCOC1)CO2 ZINC000334290648 538062900 /nfs/dbraw/zinc/06/29/00/538062900.db2.gz CLAMJIWJWCAVMY-CMPLNLGQSA-N 0 1 237.274 2.028 20 0 BEADMN Cc1ncc(CNCc2ccncc2)s1 ZINC000037797102 180153923 /nfs/dbraw/zinc/15/39/23/180153923.db2.gz SASXRGMDQPGPFB-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cn[nH]c2)s1 ZINC000229882129 180158088 /nfs/dbraw/zinc/15/80/88/180158088.db2.gz CMVGKJPIXOWFLQ-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)Nc1ccnc(C)c1 ZINC000104827808 191066473 /nfs/dbraw/zinc/06/64/73/191066473.db2.gz QCCKCKKBPKZACE-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN CC(C)N(Cc1ccon1)C1CCOCC1 ZINC000119639036 191068465 /nfs/dbraw/zinc/06/84/65/191068465.db2.gz WSGXDQWNYLBZJU-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN Cc1ncc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c(C)n1 ZINC000271494424 180171474 /nfs/dbraw/zinc/17/14/74/180171474.db2.gz LHUVBJHBSVAWEQ-DTWKUNHWSA-N 0 1 245.330 2.228 20 0 BEADMN Cc1ncc([C@H](C)N[C@H](C)c2cn[nH]c2)c(C)n1 ZINC000271494423 180174580 /nfs/dbraw/zinc/17/45/80/180174580.db2.gz LHUVBJHBSVAWEQ-BDAKNGLRSA-N 0 1 245.330 2.228 20 0 BEADMN CCCC(CCC)[S@@](=O)Cc1n[nH]c(C)n1 ZINC000427480579 191077724 /nfs/dbraw/zinc/07/77/24/191077724.db2.gz PUGFWLVNZUZERF-INIZCTEOSA-N 0 1 243.376 2.331 20 0 BEADMN Cc1nccc(NC[C@H](C)CO)c1Cl ZINC000306243909 180200358 /nfs/dbraw/zinc/20/03/58/180200358.db2.gz MVIGFWRRTMSBAC-ZETCQYMHSA-N 0 1 214.696 2.084 20 0 BEADMN Cc1ncc2c(n1)CCN(CCC(F)(F)F)C2 ZINC000336429880 180178028 /nfs/dbraw/zinc/17/80/28/180178028.db2.gz XYRPWFGKTMHVER-UHFFFAOYSA-N 0 1 245.248 2.096 20 0 BEADMN Cc1nccc(CN2CCS[C@@H](C)[C@H]2C)n1 ZINC000336435668 180183901 /nfs/dbraw/zinc/18/39/01/180183901.db2.gz ILJFGLTVYBQKJA-ZJUUUORDSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1csc(NC(=O)[C@H](N)c2ccccc2)n1 ZINC000019435371 350304332 /nfs/dbraw/zinc/30/43/32/350304332.db2.gz ULQSYEIYKLIPQA-SNVBAGLBSA-N 0 1 247.323 2.090 20 0 BEADMN O=C(N[C@@]12C[C@@H]1CCC2)c1n[nH]c2ccccc21 ZINC000617195083 350315223 /nfs/dbraw/zinc/31/52/23/350315223.db2.gz BHJSEBMIUVINAQ-XPTSAGLGSA-N 0 1 241.294 2.235 20 0 BEADMN Cc1cccc(N(C)C(=O)[C@H]2CCCCN2C)c1 ZINC000606364172 350319635 /nfs/dbraw/zinc/31/96/35/350319635.db2.gz SLHZJOYNTABPSD-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN C[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)C)C1 ZINC000606366605 350320545 /nfs/dbraw/zinc/32/05/45/350320545.db2.gz DEGBNMCKLZSWRU-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000348162459 180283064 /nfs/dbraw/zinc/28/30/64/180283064.db2.gz TYKXWHCXUDCQNG-CIUDSAMLSA-N 0 1 227.258 2.089 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1CSC1(C)C ZINC000283191967 180283521 /nfs/dbraw/zinc/28/35/21/180283521.db2.gz KQOUCKBXWRPENL-VHSXEESVSA-N 0 1 237.372 2.330 20 0 BEADMN CCCCN(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000606519404 350350235 /nfs/dbraw/zinc/35/02/35/350350235.db2.gz HWDGHFZZAPYHOD-UHFFFAOYSA-N 0 1 238.335 2.050 20 0 BEADMN CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000309369002 350354356 /nfs/dbraw/zinc/35/43/56/350354356.db2.gz PZMZDRPRRRXXFK-SECBINFHSA-N 0 1 225.263 2.121 20 0 BEADMN Cc1ncsc1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000074327532 180309757 /nfs/dbraw/zinc/30/97/57/180309757.db2.gz BSYGMYOIJNVOAV-AOOOYVTPSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1ncsc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335158963 180319231 /nfs/dbraw/zinc/31/92/31/180319231.db2.gz RPOIEMQFPUPMJJ-IUCAKERBSA-N 0 1 226.370 2.141 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CCC[C@H]1C ZINC000037910718 180350057 /nfs/dbraw/zinc/35/00/57/180350057.db2.gz GRLYPXBPNOHFNX-MRVPVSSYSA-N 0 1 227.739 2.366 20 0 BEADMN CC[C@@H]1CCCN1Cc1nccn1CC ZINC000336646922 350416212 /nfs/dbraw/zinc/41/62/12/350416212.db2.gz LLCQQEOAMNBAAH-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000162769907 350424168 /nfs/dbraw/zinc/42/41/68/350424168.db2.gz MQRZAUNCBREPOP-WDEREUQCSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@H](CF)NCc1cnc(C2CC2)s1 ZINC000379637235 538092276 /nfs/dbraw/zinc/09/22/76/538092276.db2.gz RSSWMYCCFYEOLR-SSDOTTSWSA-N 0 1 214.309 2.468 20 0 BEADMN C[C@H](F)CC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000577499932 365970669 /nfs/dbraw/zinc/97/06/69/365970669.db2.gz LQPLPGSOWQMAFA-BJDJZHNGSA-N 0 1 243.322 2.452 20 0 BEADMN CCCC[C@H](CC)CC(=O)NCCN1CCC1 ZINC000337300840 350570581 /nfs/dbraw/zinc/57/05/81/350570581.db2.gz NYZKOYFJRFFJDC-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCOC(=O)CN1CCC[C@@H](CC)CC1 ZINC000070609779 350547634 /nfs/dbraw/zinc/54/76/34/350547634.db2.gz XCOFTRPUCBIPRU-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN C[C@H](N[C@@H]1CCSC1)c1nccs1 ZINC000070634007 350557195 /nfs/dbraw/zinc/55/71/95/350557195.db2.gz JXASJEIUWODUSI-JGVFFNPUSA-N 0 1 214.359 2.299 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(CCC)CC1 ZINC000337424918 350584524 /nfs/dbraw/zinc/58/45/24/350584524.db2.gz CPZGBDLMLWHMIE-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000337540984 350593897 /nfs/dbraw/zinc/59/38/97/350593897.db2.gz YZXYETZVGUJTOG-QWRGUYRKSA-N 0 1 249.358 2.210 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)[nH]1 ZINC000355790826 350600301 /nfs/dbraw/zinc/60/03/01/350600301.db2.gz YJRKLOITWQDQRU-OUAUKWLOSA-N 0 1 236.363 2.234 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCCC(C)(C)C ZINC000606875577 350623711 /nfs/dbraw/zinc/62/37/11/350623711.db2.gz NYZVBPBLNCKMIO-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)CN(Cc1ccccc1)C(=O)CN(C)C ZINC000338337867 350678881 /nfs/dbraw/zinc/67/88/81/350678881.db2.gz DWDXDRFOFJKSSD-UHFFFAOYSA-N 0 1 248.370 2.233 20 0 BEADMN CC(=O)c1cc(CN(C)CC2CCCC2)on1 ZINC000577572785 365997176 /nfs/dbraw/zinc/99/71/76/365997176.db2.gz PWXADARPRLMRPV-UHFFFAOYSA-N 0 1 236.315 2.499 20 0 BEADMN CCCCO[C@@H](C)c1nc(C2(N)CCC2)no1 ZINC000339391759 350752717 /nfs/dbraw/zinc/75/27/17/350752717.db2.gz CNQZDVUKXUVEHU-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN CCCC[C@H](C(=O)OC)N1C[C@H](C)[C@@H]1C ZINC000339572563 350764968 /nfs/dbraw/zinc/76/49/68/350764968.db2.gz FQSNYWAWFFKDFR-GARJFASQSA-N 0 1 213.321 2.058 20 0 BEADMN O[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)CC1 ZINC000621298384 350724865 /nfs/dbraw/zinc/72/48/65/350724865.db2.gz UJOUVQBURSLFER-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN O[C@@H]1CCCN(Cc2cncc(Cl)c2)CC1 ZINC000621298384 350724867 /nfs/dbraw/zinc/72/48/67/350724867.db2.gz UJOUVQBURSLFER-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000339090916 350732729 /nfs/dbraw/zinc/73/27/29/350732729.db2.gz YUPQJCGNKUFSES-ZIAGYGMSSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000339090916 350732733 /nfs/dbraw/zinc/73/27/33/350732733.db2.gz YUPQJCGNKUFSES-ZIAGYGMSSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](O)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000339137626 350734895 /nfs/dbraw/zinc/73/48/95/350734895.db2.gz SAORODXFOSKABK-CYBMUJFWSA-N 0 1 225.307 2.337 20 0 BEADMN CC[N@@H+](Cc1oncc1C(=O)[O-])C1CCCC1 ZINC000304670516 350821152 /nfs/dbraw/zinc/82/11/52/350821152.db2.gz XIGUAMDNIGNDLN-UHFFFAOYSA-N 0 1 238.287 2.137 20 0 BEADMN CCc1nnc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000177575393 366010120 /nfs/dbraw/zinc/01/01/20/366010120.db2.gz KMGPXPVHDLITON-QWRGUYRKSA-N 0 1 235.331 2.254 20 0 BEADMN CCCCOCCNCc1ccc(COC)o1 ZINC000268781961 350837332 /nfs/dbraw/zinc/83/73/32/350837332.db2.gz IVCLJDLWPLMRPS-UHFFFAOYSA-N 0 1 241.331 2.332 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nccn1C ZINC000248085560 350855218 /nfs/dbraw/zinc/85/52/18/350855218.db2.gz BDOJZGVAPFNQFQ-LLVKDONJSA-N 0 1 207.321 2.185 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCCC[C@H]1C ZINC000248453261 350861170 /nfs/dbraw/zinc/86/11/70/350861170.db2.gz GVYKMFFKGBNLNK-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@@H](N[C@H]1CSC1(C)C)c1nccn1C ZINC000283426941 350918028 /nfs/dbraw/zinc/91/80/28/350918028.db2.gz SAQNWIRQGJTOMD-ZJUUUORDSA-N 0 1 239.388 2.355 20 0 BEADMN Cc1nc2cc(NCc3cncnc3)ccc2[nH]1 ZINC000054767815 1172138205 /nfs/dbraw/zinc/13/82/05/1172138205.db2.gz VPXMHHCUWPVTTH-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000628318948 351105225 /nfs/dbraw/zinc/10/52/25/351105225.db2.gz ANOVIIJKWBXUTK-MWLCHTKSSA-N 0 1 207.321 2.339 20 0 BEADMN CCN(C(=O)CN(C)C(C)C)c1ccccc1 ZINC000070944204 351125945 /nfs/dbraw/zinc/12/59/45/351125945.db2.gz XRPWAHJJWNPUJF-UHFFFAOYSA-N 0 1 234.343 2.380 20 0 BEADMN CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398413602 351141540 /nfs/dbraw/zinc/14/15/40/351141540.db2.gz ROALTWSCYWFCSV-MNOVXSKESA-N 0 1 222.336 2.109 20 0 BEADMN Cc1cc(CNC[C@@H]2CCC[C@H](C)O2)on1 ZINC000631174515 351228769 /nfs/dbraw/zinc/22/87/69/351228769.db2.gz NJBIQOCPAHNFHI-QWRGUYRKSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ncc(CN[C@H]2C[C@H](OC(C)(C)C)C2)o1 ZINC000628327680 351265096 /nfs/dbraw/zinc/26/50/96/351265096.db2.gz MDXCIOAUERONQB-XYPYZODXSA-N 0 1 238.331 2.419 20 0 BEADMN Cc1c[nH]c(CN2CC3(C[C@H]2C)CCOCC3)n1 ZINC000628322808 351211677 /nfs/dbraw/zinc/21/16/77/351211677.db2.gz MDYNIZHGRDWHGR-GFCCVEGCSA-N 0 1 249.358 2.109 20 0 BEADMN c1nc(C2CC2)oc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000628349676 351308709 /nfs/dbraw/zinc/30/87/09/351308709.db2.gz NSZRRFARRZSMJL-GHMZBOCLSA-N 0 1 218.300 2.394 20 0 BEADMN C[C@]1(CN2CCc3nccnc3C2)CCCS1 ZINC000628351718 351313595 /nfs/dbraw/zinc/31/35/95/351313595.db2.gz NSAVWAKAJGAGCM-CYBMUJFWSA-N 0 1 249.383 2.120 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN1CCc2nn[nH]c2C1 ZINC000628352523 351316612 /nfs/dbraw/zinc/31/66/12/351316612.db2.gz LTKJRMHERRPMQG-NEPJUHHUSA-N 0 1 248.374 2.379 20 0 BEADMN CC1(C)C[N@@H+](CC2OCCO2)Cc2ccccc21 ZINC000272258100 351465368 /nfs/dbraw/zinc/46/53/68/351465368.db2.gz MKJFPASPOPLXDT-UHFFFAOYSA-N 0 1 247.338 2.153 20 0 BEADMN CC1(C)CN(CC2OCCO2)Cc2ccccc21 ZINC000272258100 351465373 /nfs/dbraw/zinc/46/53/73/351465373.db2.gz MKJFPASPOPLXDT-UHFFFAOYSA-N 0 1 247.338 2.153 20 0 BEADMN CC(C)(C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000090299474 363033807 /nfs/dbraw/zinc/03/38/07/363033807.db2.gz PUATVCLMBYAVNU-UHFFFAOYSA-N 0 1 248.305 2.295 20 0 BEADMN CCC[C@H](CNCc1nccn1CC)OCC ZINC000623599125 363036513 /nfs/dbraw/zinc/03/65/13/363036513.db2.gz YPZJGVYABSZXTD-GFCCVEGCSA-N 0 1 239.363 2.198 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NCc1ccns1 ZINC000404481417 351478051 /nfs/dbraw/zinc/47/80/51/351478051.db2.gz GFNWQTLKFKUACY-LLVKDONJSA-N 0 1 248.355 2.044 20 0 BEADMN C[C@@H]1CCN(Cc2cnc(Cl)cn2)[C@@H]1C ZINC000307205209 351608493 /nfs/dbraw/zinc/60/84/93/351608493.db2.gz GKZHWXUWTAXPDP-RKDXNWHRSA-N 0 1 225.723 2.360 20 0 BEADMN CNc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000637794702 351620589 /nfs/dbraw/zinc/62/05/89/351620589.db2.gz MIEWEZMKMJAWOG-LLVKDONJSA-N 0 1 244.298 2.203 20 0 BEADMN Cc1ccc(CN2CCC[C@@H](O)C2)c(F)c1 ZINC000637836753 351690711 /nfs/dbraw/zinc/69/07/11/351690711.db2.gz SHBCQUIXUUPAGD-GFCCVEGCSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCC[C@@H]1CCO1 ZINC000637840631 351695497 /nfs/dbraw/zinc/69/54/97/351695497.db2.gz GBYQQENMBUXLTC-CHWSQXEVSA-N 0 1 234.343 2.434 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@@H](C(C)(C)C)C2)O1 ZINC000577703623 366039487 /nfs/dbraw/zinc/03/94/87/366039487.db2.gz FPRGHVQNYUASSM-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccn(C)n1 ZINC000631702689 363082572 /nfs/dbraw/zinc/08/25/72/363082572.db2.gz KYBOCJJHQVRCMF-HNCHTBHHSA-N 0 1 237.347 2.027 20 0 BEADMN CN(Cc1ccco1)Cc1ccc(=O)[nH]c1 ZINC000637860057 351721442 /nfs/dbraw/zinc/72/14/42/351721442.db2.gz JWUAXVXFSVKLJA-UHFFFAOYSA-N 0 1 218.256 2.012 20 0 BEADMN CCCN(CCC)C(=O)c1oc(CN)cc1C ZINC000637869283 351729808 /nfs/dbraw/zinc/72/98/08/351729808.db2.gz KYUPKRWCDUZKQN-UHFFFAOYSA-N 0 1 238.331 2.309 20 0 BEADMN CC[N@@H+](C)CCNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000347936180 366072356 /nfs/dbraw/zinc/07/23/56/366072356.db2.gz XSICNFIVQSJUKT-OLZOCXBDSA-N 0 1 240.391 2.271 20 0 BEADMN COCCN(C)Cc1ccc(C)cc1F ZINC000637893186 351762608 /nfs/dbraw/zinc/76/26/08/351762608.db2.gz QELKVUOXXSBMOR-UHFFFAOYSA-N 0 1 211.280 2.212 20 0 BEADMN Cc1ccc(CN2CCN(C3CC3)CC2)c(F)c1 ZINC000637894883 351766733 /nfs/dbraw/zinc/76/67/33/351766733.db2.gz YRWSUCVXUFLLON-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN CN(Cc1ccns1)[C@H]1CCSC1 ZINC000637901428 351771418 /nfs/dbraw/zinc/77/14/18/351771418.db2.gz LOPHWHMDXCCCGX-QMMMGPOBSA-N 0 1 214.359 2.080 20 0 BEADMN Cc1ccc(CN2CCCOCC2)c(F)c1 ZINC000637952895 351828892 /nfs/dbraw/zinc/82/88/92/351828892.db2.gz XCRGNNYINBHONC-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN c1c[nH]c([C@H]2CCCN(Cc3ccns3)C2)n1 ZINC000637954237 351830092 /nfs/dbraw/zinc/83/00/92/351830092.db2.gz UOBJGWCPRBDZDH-JTQLQIEISA-N 0 1 248.355 2.246 20 0 BEADMN CC(C)[N@H+](Cc1ncccc1[O-])C1CC1 ZINC000577836868 366076804 /nfs/dbraw/zinc/07/68/04/366076804.db2.gz PECOREQEKBYKDX-UHFFFAOYSA-N 0 1 206.289 2.160 20 0 BEADMN CC(C)[N@@H+](Cc1ncccc1[O-])C1CC1 ZINC000577836868 366076806 /nfs/dbraw/zinc/07/68/06/366076806.db2.gz PECOREQEKBYKDX-UHFFFAOYSA-N 0 1 206.289 2.160 20 0 BEADMN CCN(Cc1cc(C)ns1)C[C@H]1CCCO1 ZINC000637966824 351841097 /nfs/dbraw/zinc/84/10/97/351841097.db2.gz XEMBAKAHJBAZFV-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1occc1CN(C)Cc1ccc(=O)[nH]c1 ZINC000637972002 351847023 /nfs/dbraw/zinc/84/70/23/351847023.db2.gz ZQFJERXYFFGVGA-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN CC[C@@H](c1ccccc1)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282206532 351926809 /nfs/dbraw/zinc/92/68/09/351926809.db2.gz OFEGVTUBLVMHHX-JSGCOSHPSA-N 0 1 246.354 2.300 20 0 BEADMN CCc1nc(CN2CCc3cc(F)ccc32)n[nH]1 ZINC000282412895 351932001 /nfs/dbraw/zinc/93/20/01/351932001.db2.gz ITAYVUNTQGWLAS-UHFFFAOYSA-N 0 1 246.289 2.069 20 0 BEADMN CCCC[C@H](C)C(=O)NCc1cn[nH]c1C ZINC000282790735 351944785 /nfs/dbraw/zinc/94/47/85/351944785.db2.gz WMAVGOGECWGTDS-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN CCC[C@@H](C[N@H+]1CCSC[C@@H]1C)OC ZINC000638081557 351957846 /nfs/dbraw/zinc/95/78/46/351957846.db2.gz AJFLQWQGRSJDAE-QWRGUYRKSA-N 0 1 217.378 2.239 20 0 BEADMN CCC[C@@H](CN(C)Cc1cnn(CC)c1)OC ZINC000638083769 351959730 /nfs/dbraw/zinc/95/97/30/351959730.db2.gz LMFBTYJJJUHLEB-ZDUSSCGKSA-N 0 1 239.363 2.150 20 0 BEADMN CCOC[C@@H]1CCCN(Cc2ccns2)C1 ZINC000638085181 351961436 /nfs/dbraw/zinc/96/14/36/351961436.db2.gz OSLXZLXMONCWON-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN COc1ncc(C[N@H+]2C[C@@H](C)C[C@@H]2C)s1 ZINC000638109058 351986292 /nfs/dbraw/zinc/98/62/92/351986292.db2.gz BXEWJRLLTUHXNP-IUCAKERBSA-N 0 1 226.345 2.382 20 0 BEADMN COc1ccccc1CCNCc1ncc(C)o1 ZINC000638292155 352127904 /nfs/dbraw/zinc/12/79/04/352127904.db2.gz BZAUWTHPXBXNAW-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN Cc1cc(CN[C@H](C)[C@H]2CC2(F)F)no1 ZINC000638420892 352229536 /nfs/dbraw/zinc/22/95/36/352229536.db2.gz QEMPORRXEAGPSV-VXNVDRBHSA-N 0 1 216.231 2.116 20 0 BEADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1ncccc1F ZINC000528039253 323746091 /nfs/dbraw/zinc/74/60/91/323746091.db2.gz ZCIAONBISTXGPQ-UWVGGRQHSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2cccs2)n[nH]1 ZINC000411149902 191164164 /nfs/dbraw/zinc/16/41/64/191164164.db2.gz UBGRDSRWMIRECG-QMMMGPOBSA-N 0 1 236.344 2.368 20 0 BEADMN CCN(Cc1cncc(F)c1)C[C@@H](C)OC ZINC000291068516 352258712 /nfs/dbraw/zinc/25/87/12/352258712.db2.gz LGSLPAKUSASMHG-SNVBAGLBSA-N 0 1 226.295 2.078 20 0 BEADMN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)on1 ZINC000630075633 363159716 /nfs/dbraw/zinc/15/97/16/363159716.db2.gz ZDIDLTSXXKSLCH-SECBINFHSA-N 0 1 230.258 2.364 20 0 BEADMN CCN(CC(C)C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411163714 191166080 /nfs/dbraw/zinc/16/60/80/191166080.db2.gz KMHWIXZDNUHGNV-VIFPVBQESA-N 0 1 210.325 2.152 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)c1cnc[nH]1 ZINC000290855303 352245549 /nfs/dbraw/zinc/24/55/49/352245549.db2.gz DKSPWQHSACPZKE-SECBINFHSA-N 0 1 209.293 2.060 20 0 BEADMN CCCC[C@@H](C)N(C)c1ncnc2[nH]cnc21 ZINC000290891149 352247768 /nfs/dbraw/zinc/24/77/68/352247768.db2.gz TZAWUPZWSYZXRV-SECBINFHSA-N 0 1 233.319 2.368 20 0 BEADMN CCC[C@H](CC)N[C@@H](C)c1ncn(C)n1 ZINC000336745165 187655064 /nfs/dbraw/zinc/65/50/64/187655064.db2.gz AGQDIJLQLLARIX-UWVGGRQHSA-N 0 1 210.325 2.044 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)CCC(C)(C)C ZINC000638488060 352299429 /nfs/dbraw/zinc/29/94/29/352299429.db2.gz UGAQFGRBCGXRGW-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](C)CN(C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411256966 191173356 /nfs/dbraw/zinc/17/33/56/191173356.db2.gz RSHMGNWJKBTFKF-IUCAKERBSA-N 0 1 210.325 2.152 20 0 BEADMN CC1(C)CN(Cc2nccc(N)n2)[C@H]2CCC[C@@H]21 ZINC000292943724 352334219 /nfs/dbraw/zinc/33/42/19/352334219.db2.gz DLDAKMYJTZZTOP-QWRGUYRKSA-N 0 1 246.358 2.069 20 0 BEADMN CN(Cc1cnccn1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411313871 191178090 /nfs/dbraw/zinc/17/80/90/191178090.db2.gz YUAYVXIEAYJZAK-HUUCEWRRSA-N 0 1 239.322 2.465 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCc2ccccn2)n1 ZINC000411433706 191185816 /nfs/dbraw/zinc/18/58/16/191185816.db2.gz USJCFMLTIOUNPP-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN C[C@H](O)CCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000411417765 191184816 /nfs/dbraw/zinc/18/48/16/191184816.db2.gz FBIKZFNNTLQRLE-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1cc(C2CC2)no1 ZINC000638581192 352412123 /nfs/dbraw/zinc/41/21/23/352412123.db2.gz LYEMFXQPSXJMNH-TVQRCGJNSA-N 0 1 238.331 2.049 20 0 BEADMN CCC[C@H](O)CNCc1nc2ccccc2o1 ZINC000638587705 352417893 /nfs/dbraw/zinc/41/78/93/352417893.db2.gz IBZSVPMACHZXOB-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN c1cc([C@@H]2CCCN2CCc2cncs2)n[nH]1 ZINC000411655814 191201763 /nfs/dbraw/zinc/20/17/63/191201763.db2.gz MYCXOSGFZRYHMD-LBPRGKRZSA-N 0 1 248.355 2.246 20 0 BEADMN COC(=O)[C@H](NC1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000411724113 191206863 /nfs/dbraw/zinc/20/68/63/191206863.db2.gz TZVFFSAHBIKDAC-GIPNMCIBSA-N 0 1 239.359 2.352 20 0 BEADMN Cc1cnc(CNCCCc2ccc(O)cc2)o1 ZINC000638610462 352448371 /nfs/dbraw/zinc/44/83/71/352448371.db2.gz RAIUPINHMZGXLY-UHFFFAOYSA-N 0 1 246.310 2.411 20 0 BEADMN CC(C)=C[C@H]1[C@H](C(=O)NCc2cnc[nH]2)C1(C)C ZINC000607948772 352454624 /nfs/dbraw/zinc/45/46/24/352454624.db2.gz SFEPOBZCACEQSG-NWDGAFQWSA-N 0 1 247.342 2.264 20 0 BEADMN COC[C@@H]1CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411781793 191209970 /nfs/dbraw/zinc/20/99/70/191209970.db2.gz JKNYFFLCMAIIRE-IHRRRGAJSA-N 0 1 235.302 2.402 20 0 BEADMN CC(C)(CCO)NCc1nc2ccccc2o1 ZINC000638623648 352461648 /nfs/dbraw/zinc/46/16/48/352461648.db2.gz HLOQNCKVWKJBEO-UHFFFAOYSA-N 0 1 234.299 2.078 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H](N)c1ccccc1 ZINC000037265165 358471290 /nfs/dbraw/zinc/47/12/90/358471290.db2.gz GKQCIADRAHXMJH-AAEUAGOBSA-N 0 1 234.343 2.237 20 0 BEADMN c1c(CN[C@H]2CCSC2)onc1C1CC1 ZINC000638714864 352558562 /nfs/dbraw/zinc/55/85/62/352558562.db2.gz NXWCYAZKENQOOW-VIFPVBQESA-N 0 1 224.329 2.147 20 0 BEADMN c1c(CN[C@@H]2CCSC2)onc1C1CC1 ZINC000638714863 352558628 /nfs/dbraw/zinc/55/86/28/352558628.db2.gz NXWCYAZKENQOOW-SECBINFHSA-N 0 1 224.329 2.147 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@H](C3CCC3)C2)O1 ZINC000411850780 191218089 /nfs/dbraw/zinc/21/80/89/191218089.db2.gz PGMLXOVJQRZLNU-BNOWGMLFSA-N 0 1 239.359 2.055 20 0 BEADMN CCC[C@H](CN[C@@H](COC)c1ccco1)OC ZINC000638720528 352570050 /nfs/dbraw/zinc/57/00/50/352570050.db2.gz KBQVZUCVXRNYAE-NEPJUHHUSA-N 0 1 241.331 2.372 20 0 BEADMN Cc1cnc(CNC[C@H](C)c2ccncc2)o1 ZINC000638720960 352571323 /nfs/dbraw/zinc/57/13/23/352571323.db2.gz VVMPDKMGIKHZCU-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000229212953 352650705 /nfs/dbraw/zinc/65/07/05/352650705.db2.gz BTHUPHPPFSIVBM-MCIONIFRSA-N 0 1 245.322 2.372 20 0 BEADMN CC(C)CCCN1CCO[C@@H](CF)C1 ZINC000411855844 191220587 /nfs/dbraw/zinc/22/05/87/191220587.db2.gz ZMEJZLJXVXGZCH-NSHDSACASA-N 0 1 203.301 2.093 20 0 BEADMN CC(C)CCCN1CCO[C@H](CF)C1 ZINC000411855841 191220917 /nfs/dbraw/zinc/22/09/17/191220917.db2.gz ZMEJZLJXVXGZCH-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1nccc(C)n1)C1CC1 ZINC000411974140 191233402 /nfs/dbraw/zinc/23/34/02/191233402.db2.gz SVQVSLDGFSOFOY-FZMZJTMJSA-N 0 1 249.358 2.078 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3nn[nH]c3c2)CS1 ZINC000638761524 352698455 /nfs/dbraw/zinc/69/84/55/352698455.db2.gz DKAPGDRYKDTCAH-APPZFPTMSA-N 0 1 234.328 2.264 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3n[nH]nc3c2)CS1 ZINC000638761524 352698457 /nfs/dbraw/zinc/69/84/57/352698457.db2.gz DKAPGDRYKDTCAH-APPZFPTMSA-N 0 1 234.328 2.264 20 0 BEADMN CCc1cccnc1[C@H](C)N[C@@H]1C=C[C@@H](CO)C1 ZINC000341247541 352698461 /nfs/dbraw/zinc/69/84/61/352698461.db2.gz QTGXVWPNKYSUFT-OUCADQQQSA-N 0 1 246.354 2.232 20 0 BEADMN CO[C@@](C)(CNc1ccc2nn[nH]c2c1)C1CC1 ZINC000638762489 352700293 /nfs/dbraw/zinc/70/02/93/352700293.db2.gz VJRIKMDOHLOEQU-ZDUSSCGKSA-N 0 1 246.314 2.185 20 0 BEADMN CO[C@@](C)(CNc1ccc2n[nH]nc2c1)C1CC1 ZINC000638762489 352700294 /nfs/dbraw/zinc/70/02/94/352700294.db2.gz VJRIKMDOHLOEQU-ZDUSSCGKSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@H]1CC1(F)F ZINC000638762728 352700371 /nfs/dbraw/zinc/70/03/71/352700371.db2.gz YWJHIWPTNOHCHE-POYBYMJQSA-N 0 1 238.241 2.414 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@H]1CC1(F)F ZINC000638762728 352700373 /nfs/dbraw/zinc/70/03/73/352700373.db2.gz YWJHIWPTNOHCHE-POYBYMJQSA-N 0 1 238.241 2.414 20 0 BEADMN COCC1(CNc2ccc3nn[nH]c3c2)CCC1 ZINC000638762210 352700556 /nfs/dbraw/zinc/70/05/56/352700556.db2.gz SJDYRCLOTZPZPH-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN COCC1(CNc2ccc3n[nH]nc3c2)CCC1 ZINC000638762210 352700558 /nfs/dbraw/zinc/70/05/58/352700558.db2.gz SJDYRCLOTZPZPH-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN COC1([C@@H](C)NCc2cc(C)on2)CCC1 ZINC000412022579 191238037 /nfs/dbraw/zinc/23/80/37/191238037.db2.gz UTGGLNVHMXBEEQ-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN COC1([C@H](C)NCc2csc(C)n2)CCC1 ZINC000412023221 191238661 /nfs/dbraw/zinc/23/86/61/191238661.db2.gz WRXIKOULXTUXKY-VIFPVBQESA-N 0 1 240.372 2.499 20 0 BEADMN CCN(CCn1cccn1)Cc1occc1C ZINC000412025562 191239500 /nfs/dbraw/zinc/23/95/00/191239500.db2.gz JGALLJWSCIEEJI-UHFFFAOYSA-N 0 1 233.315 2.307 20 0 BEADMN CC[C@@H](NC[C@H](OC)C(C)C)c1nccn1C ZINC000341712386 352722313 /nfs/dbraw/zinc/72/23/13/352722313.db2.gz WZJZGTZBTAHWJP-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1cnc(CNCC2(C3CC3)CC2)o1 ZINC000638778692 352728357 /nfs/dbraw/zinc/72/83/57/352728357.db2.gz ODSHIWXRVCIJIR-UHFFFAOYSA-N 0 1 206.289 2.263 20 0 BEADMN CC[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334178587 352765671 /nfs/dbraw/zinc/76/56/71/352765671.db2.gz AZEZZIBTXSSBKS-SNVBAGLBSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@@H](NCC[C@@H]1CCCCO1)c1csnn1 ZINC000412044299 191248799 /nfs/dbraw/zinc/24/87/99/191248799.db2.gz QRCMUVIOQAILRD-ZJUUUORDSA-N 0 1 241.360 2.148 20 0 BEADMN C[C@@H]1COCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000334191357 352781966 /nfs/dbraw/zinc/78/19/66/352781966.db2.gz IJAXAKUZHVSJEP-NSHDSACASA-N 0 1 223.291 2.294 20 0 BEADMN C[C@@H]1COCCN(Cc2ccc(F)cc2)C1 ZINC000334191357 352781969 /nfs/dbraw/zinc/78/19/69/352781969.db2.gz IJAXAKUZHVSJEP-NSHDSACASA-N 0 1 223.291 2.294 20 0 BEADMN Cc1nnc(CN2CC[C@H](C(C)C)C2)s1 ZINC000334203764 352797949 /nfs/dbraw/zinc/79/79/49/352797949.db2.gz RFXVPIBIEPDAAO-JTQLQIEISA-N 0 1 225.361 2.324 20 0 BEADMN CC[C@H](C)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000334205024 352799491 /nfs/dbraw/zinc/79/94/91/352799491.db2.gz XDILPIUUSWAOFI-JTQLQIEISA-N 0 1 219.332 2.189 20 0 BEADMN Cc1ccc(O)c(C[N@@H+]2CC=C(C)CC2)n1 ZINC000334206219 352800940 /nfs/dbraw/zinc/80/09/40/352800940.db2.gz WDMPYXXFOWELAV-UHFFFAOYSA-N 0 1 218.300 2.248 20 0 BEADMN C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000334207454 352803642 /nfs/dbraw/zinc/80/36/42/352803642.db2.gz XAHVBICQPZPUIE-NSHDSACASA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1CC=C(C(C)(C)C)CC1 ZINC000334207454 352803645 /nfs/dbraw/zinc/80/36/45/352803645.db2.gz XAHVBICQPZPUIE-NSHDSACASA-N 0 1 238.375 2.141 20 0 BEADMN Cc1nocc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000334208179 352804435 /nfs/dbraw/zinc/80/44/35/352804435.db2.gz COCBUDGIGGISPX-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1nocc1CN1CCCO[C@@H](C(C)C)C1 ZINC000334208179 352804437 /nfs/dbraw/zinc/80/44/37/352804437.db2.gz COCBUDGIGGISPX-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN NCc1ccc(C(=O)NC[C@@H]2CCCC23CC3)o1 ZINC000638795069 352850072 /nfs/dbraw/zinc/85/00/72/352850072.db2.gz KESYUNCQNJLTAG-JTQLQIEISA-N 0 1 248.326 2.048 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2(C)CCC2)C[C@@H]1C ZINC000334236422 352854470 /nfs/dbraw/zinc/85/44/70/352854470.db2.gz LETWDPJWTDUHON-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C2CCCC2)CC1 ZINC000334238126 352856934 /nfs/dbraw/zinc/85/69/34/352856934.db2.gz SJXNOMNFWWEVNC-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3)cn1 ZINC000342841763 352871591 /nfs/dbraw/zinc/87/15/91/352871591.db2.gz RECGKKALCXCRKD-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000334259688 352871688 /nfs/dbraw/zinc/87/16/88/352871688.db2.gz UVFYBXXVCRMDML-STQMWFEESA-N 0 1 246.354 2.128 20 0 BEADMN CC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000334259688 352871691 /nfs/dbraw/zinc/87/16/91/352871691.db2.gz UVFYBXXVCRMDML-STQMWFEESA-N 0 1 246.354 2.128 20 0 BEADMN Cc1cc(C(=O)NCc2cnc[nH]2)cc(C)c1F ZINC000334243984 352833004 /nfs/dbraw/zinc/83/30/04/352833004.db2.gz ZADJTDKTOPTFJS-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000334246250 352836098 /nfs/dbraw/zinc/83/60/98/352836098.db2.gz SVPXKGRPFGVDNL-GXFFZTMASA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@H]1CN(Cc2c(C)noc2C)CCCO1 ZINC000334246839 352838194 /nfs/dbraw/zinc/83/81/94/352838194.db2.gz JAADWMJYCRPPAE-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CCOc1ccc2c(c1)CC[N@@H+]([C@H]1CCOC1)C2 ZINC000334269458 352905818 /nfs/dbraw/zinc/90/58/18/352905818.db2.gz CYQVQWOEGXEGRN-AWEZNQCLSA-N 0 1 247.338 2.232 20 0 BEADMN CCOc1ccc2c(c1)CCN([C@H]1CCOC1)C2 ZINC000334269458 352905820 /nfs/dbraw/zinc/90/58/20/352905820.db2.gz CYQVQWOEGXEGRN-AWEZNQCLSA-N 0 1 247.338 2.232 20 0 BEADMN Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cnn1C ZINC000334270620 352907006 /nfs/dbraw/zinc/90/70/06/352907006.db2.gz SMFFRARXYBPVQQ-QWRGUYRKSA-N 0 1 221.348 2.206 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCC12CCC2 ZINC000334352743 352989308 /nfs/dbraw/zinc/98/93/08/352989308.db2.gz HNVCEEYDGXZMER-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cccc2c[nH]nc21 ZINC000334302848 352939151 /nfs/dbraw/zinc/93/91/51/352939151.db2.gz BLHFUEXHQMRWQG-JTQLQIEISA-N 0 1 229.283 2.187 20 0 BEADMN Cc1nnc(CN2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000334315600 352947066 /nfs/dbraw/zinc/94/70/66/352947066.db2.gz NWBLXZUHQUVMNJ-MFKMUULPSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1ncc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cn1 ZINC000334327015 352963357 /nfs/dbraw/zinc/96/33/57/352963357.db2.gz HDGDHMHACZWBNX-UWVGGRQHSA-N 0 1 205.305 2.015 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](C)C2)o1 ZINC000334327549 352963865 /nfs/dbraw/zinc/96/38/65/352963865.db2.gz LXVRZDZENDRMNU-RKDXNWHRSA-N 0 1 209.293 2.035 20 0 BEADMN Cc1cccc([C@H](C)N2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412104059 191262305 /nfs/dbraw/zinc/26/23/05/191262305.db2.gz ZUYRMNIRKLOVHD-KCQAQPDRSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1cccc([C@H](C)N2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412104060 191262535 /nfs/dbraw/zinc/26/25/35/191262535.db2.gz ZUYRMNIRKLOVHD-YDHLFZDLSA-N 0 1 249.354 2.138 20 0 BEADMN CC[C@](C)(NC(=O)c1coc(CN)c1)C1CC1 ZINC000638857451 353033895 /nfs/dbraw/zinc/03/38/95/353033895.db2.gz FOCLWEJUBXOXRD-ZDUSSCGKSA-N 0 1 236.315 2.047 20 0 BEADMN CC[C@](C)(NC(=O)c1ccc(CN)o1)C1CC1 ZINC000638858424 353034878 /nfs/dbraw/zinc/03/48/78/353034878.db2.gz PKNGIEYFQMEOSO-ZDUSSCGKSA-N 0 1 236.315 2.047 20 0 BEADMN NCC(=O)Nc1nc(C2CCCCC2)cs1 ZINC000638827188 353002698 /nfs/dbraw/zinc/00/26/98/353002698.db2.gz BRMMFNICLIVTDR-UHFFFAOYSA-N 0 1 239.344 2.088 20 0 BEADMN O=c1c(CN2CC=CCC2)cccn1C(F)F ZINC000638914558 353073436 /nfs/dbraw/zinc/07/34/36/353073436.db2.gz UAPNCYROOWLLSQ-UHFFFAOYSA-N 0 1 240.253 2.005 20 0 BEADMN c1nc(C2CCN(Cc3cncs3)CC2)c[nH]1 ZINC000334381594 353047389 /nfs/dbraw/zinc/04/73/89/353047389.db2.gz FPENNEANHJZBOI-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2conc2C)CC1 ZINC000334425338 353104028 /nfs/dbraw/zinc/10/40/28/353104028.db2.gz UOPMLSAWMJEPTO-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN C[C@@]1(NCc2cc(C3CC3)no2)CCCOC1 ZINC000638920433 353078954 /nfs/dbraw/zinc/07/89/54/353078954.db2.gz CTPFDFTZHAIJNW-CYBMUJFWSA-N 0 1 236.315 2.211 20 0 BEADMN CCCCC[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000071737619 168693768 /nfs/dbraw/zinc/69/37/68/168693768.db2.gz RMNCHKDECQKJQV-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC1=CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000334417645 353101328 /nfs/dbraw/zinc/10/13/28/353101328.db2.gz RCKAYOHHDBZAHS-UHFFFAOYSA-N 0 1 231.299 2.079 20 0 BEADMN CC(C)[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000021501215 188008990 /nfs/dbraw/zinc/00/89/90/188008990.db2.gz GTTACCVBRWHPGY-UHFFFAOYSA-N 0 1 207.273 2.225 20 0 BEADMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H]1C ZINC000339584182 188019088 /nfs/dbraw/zinc/01/90/88/188019088.db2.gz YWKAKEOMJGWEPG-LPWJVIDDSA-N 0 1 238.375 2.116 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339681184 188019445 /nfs/dbraw/zinc/01/94/45/188019445.db2.gz YQUKLUVECIAOGT-PWSUYJOCSA-N 0 1 225.332 2.060 20 0 BEADMN CCCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352895806 168701444 /nfs/dbraw/zinc/70/14/44/168701444.db2.gz YHZQIBGPOIEZLU-SLEUVZQESA-N 0 1 231.405 2.408 20 0 BEADMN CC(C)=CCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000276896174 188029866 /nfs/dbraw/zinc/02/98/66/188029866.db2.gz NKQGSAHBGCLUJU-LLVKDONJSA-N 0 1 248.330 2.053 20 0 BEADMN CC(C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000278545512 188030462 /nfs/dbraw/zinc/03/04/62/188030462.db2.gz GITUCLWUYIGYTK-UHFFFAOYSA-N 0 1 246.314 2.223 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cn1 ZINC000280374088 188031533 /nfs/dbraw/zinc/03/15/33/188031533.db2.gz DSIBWUDAWCLQOE-JSGCOSHPSA-N 0 1 249.358 2.109 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cn1 ZINC000280374080 188032015 /nfs/dbraw/zinc/03/20/15/188032015.db2.gz DSIBWUDAWCLQOE-GXTWGEPZSA-N 0 1 249.358 2.109 20 0 BEADMN COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)nn1 ZINC000283009859 188033807 /nfs/dbraw/zinc/03/38/07/188033807.db2.gz GGFNUJGIVBXXCL-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN C/C=C/C=C/C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294183899 188038714 /nfs/dbraw/zinc/03/87/14/188038714.db2.gz PDIXCVLHEVGIPD-RQVBVWKISA-N 0 1 248.370 2.063 20 0 BEADMN COc1nccnc1CN(C)CC1CCCC1 ZINC000294998083 188038735 /nfs/dbraw/zinc/03/87/35/188038735.db2.gz YNUQSKSIULDINP-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)(O)C(C)(C)NCc1csc(Cl)n1 ZINC000295889645 188039283 /nfs/dbraw/zinc/03/92/83/188039283.db2.gz BKKJGBYZKBDNIY-UHFFFAOYSA-N 0 1 248.779 2.436 20 0 BEADMN CCN(Cc1ccoc1)Cc1cnc[nH]1 ZINC000092935864 538108269 /nfs/dbraw/zinc/10/82/69/538108269.db2.gz WRYCCAJXQBMIHN-UHFFFAOYSA-N 0 1 205.261 2.025 20 0 BEADMN CC(=O)CCSc1nc(C(C)(C)C)n[nH]1 ZINC000192956287 188004334 /nfs/dbraw/zinc/00/43/34/188004334.db2.gz YMIRGHPBBFJNOJ-UHFFFAOYSA-N 0 1 227.333 2.173 20 0 BEADMN CC(=O)CCSc1n[nH]c(C(C)(C)C)n1 ZINC000192956287 188004336 /nfs/dbraw/zinc/00/43/36/188004336.db2.gz YMIRGHPBBFJNOJ-UHFFFAOYSA-N 0 1 227.333 2.173 20 0 BEADMN C1=CO[C@H](CNc2ccc3nn[nH]c3c2)CC1 ZINC000194515779 188005561 /nfs/dbraw/zinc/00/55/61/188005561.db2.gz GNIWMLPVTHEVFX-JTQLQIEISA-N 0 1 230.271 2.063 20 0 BEADMN C1=CO[C@H](CNc2ccc3n[nH]nc3c2)CC1 ZINC000194515779 188005562 /nfs/dbraw/zinc/00/55/62/188005562.db2.gz GNIWMLPVTHEVFX-JTQLQIEISA-N 0 1 230.271 2.063 20 0 BEADMN CCC(CC)(CO)NCc1ncc(Cl)s1 ZINC000225348999 363205358 /nfs/dbraw/zinc/20/53/58/363205358.db2.gz KQIGJDJCPZAHSF-UHFFFAOYSA-N 0 1 248.779 2.437 20 0 BEADMN C(N[C@@H]1CCC12CCC2)c1nnc2n1CCCC2 ZINC000336237802 188053742 /nfs/dbraw/zinc/05/37/42/188053742.db2.gz YKEBELJADFWIHG-LLVKDONJSA-N 0 1 246.358 2.037 20 0 BEADMN CC(C)(C)[C@@H](O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000336322176 188055450 /nfs/dbraw/zinc/05/54/50/188055450.db2.gz DIVOHSKDCVVOLK-AWEZNQCLSA-N 0 1 249.354 2.157 20 0 BEADMN COC(=O)CN(CCC1CCC1)C(C)C ZINC000398833039 353146435 /nfs/dbraw/zinc/14/64/35/353146435.db2.gz QFBMBTJMAPHDJW-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(CC)C[C@H]1C ZINC000341773174 188045371 /nfs/dbraw/zinc/04/53/71/188045371.db2.gz PMBMMLZIZRFXPW-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638972403 353177571 /nfs/dbraw/zinc/17/75/71/353177571.db2.gz HCMXRYWQQRSLLF-HZMBPMFUSA-N 0 1 248.326 2.109 20 0 BEADMN CC(C)CN(C)Cc1nc(N)c2ccccc2n1 ZINC000049442371 353165145 /nfs/dbraw/zinc/16/51/45/353165145.db2.gz ICEKBPUUEKBYTD-UHFFFAOYSA-N 0 1 244.342 2.300 20 0 BEADMN CCCC[C@@H](CC)CC(=O)N1CCNC[C@@H]1C ZINC000125585814 353179550 /nfs/dbraw/zinc/17/95/50/353179550.db2.gz IWPFYOQWNOXLHN-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN(C(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000276466594 538110234 /nfs/dbraw/zinc/11/02/34/538110234.db2.gz POXXMUDMSKLOIV-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1c[nH]nc1C ZINC000134559121 538113362 /nfs/dbraw/zinc/11/33/62/538113362.db2.gz OGBYUYKIVWTWQS-SSDOTTSWSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1ccoc1 ZINC000134550022 538113045 /nfs/dbraw/zinc/11/30/45/538113045.db2.gz OJZBTWNYQXDJFX-MRVPVSSYSA-N 0 1 205.261 2.162 20 0 BEADMN C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000343268331 353280999 /nfs/dbraw/zinc/28/09/99/353280999.db2.gz VVEPCCULDBBSLA-NSHDSACASA-N 0 1 238.375 2.047 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1cccc(F)c1F ZINC000353599185 188234629 /nfs/dbraw/zinc/23/46/29/188234629.db2.gz WORIWTYKDNZGJQ-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CCCCN1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360541570 188242442 /nfs/dbraw/zinc/24/24/42/188242442.db2.gz GVTBDYUDZVVUPV-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)[C@@H]1CN(CCCc2ccncc2)CCO1 ZINC000360466520 188243033 /nfs/dbraw/zinc/24/30/33/188243033.db2.gz HONBAMISOOJHOM-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN CC(C)[C@@H]1CCN([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834816 188245614 /nfs/dbraw/zinc/24/56/14/188245614.db2.gz WZHBGDUVSYGOPZ-WDEREUQCSA-N 0 1 249.362 2.047 20 0 BEADMN CC(C)=CCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000370213860 188248187 /nfs/dbraw/zinc/24/81/87/188248187.db2.gz YKDJJKCKRHPVAC-LLVKDONJSA-N 0 1 247.342 2.302 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378258097 188251520 /nfs/dbraw/zinc/25/15/20/188251520.db2.gz CNMRPVIFWBZZST-WPRPVWTQSA-N 0 1 242.282 2.066 20 0 BEADMN C[C@H](N[C@@H]1COCC1(C)C)c1nccs1 ZINC000313122926 188255556 /nfs/dbraw/zinc/25/55/56/188255556.db2.gz LRTXIKJNHXFJTR-DTWKUNHWSA-N 0 1 226.345 2.219 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CNCCn2cccn2)o1 ZINC000042351643 188257760 /nfs/dbraw/zinc/25/77/60/188257760.db2.gz RHZBCSPPMMXQFO-WCQYABFASA-N 0 1 245.326 2.389 20 0 BEADMN c1c(CNC[C@@H]2CCC=CO2)nc2ccccn12 ZINC000275825628 188266208 /nfs/dbraw/zinc/26/62/08/188266208.db2.gz NORAGQRBHACUMV-ZDUSSCGKSA-N 0 1 243.310 2.117 20 0 BEADMN c1cn2c(n1)[C@@H](NCC1=CCCCC1)CC2 ZINC000296230816 188269694 /nfs/dbraw/zinc/26/96/94/188269694.db2.gz AIGWRUXPNXTHJY-LBPRGKRZSA-N 0 1 217.316 2.418 20 0 BEADMN CC(C)C[C@H]1COCCN1CCc1ccccn1 ZINC000072978792 188307340 /nfs/dbraw/zinc/30/73/40/188307340.db2.gz BROQLUKGOLDXLG-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN CCC[C@H](CN(C)Cc1ccccn1)OC ZINC000639040837 353318571 /nfs/dbraw/zinc/31/85/71/353318571.db2.gz CJTXRQOOBBDRDK-CYBMUJFWSA-N 0 1 222.332 2.329 20 0 BEADMN c1nc(CNC2Cc3ccccc3C2)cs1 ZINC000082625936 188313981 /nfs/dbraw/zinc/31/39/81/188313981.db2.gz MSVKKQFIKPNWGD-UHFFFAOYSA-N 0 1 230.336 2.400 20 0 BEADMN CC(C)N(Cc1ccncc1Cl)C[C@@H](C)O ZINC000075718335 353324626 /nfs/dbraw/zinc/32/46/26/353324626.db2.gz VINHGODQINBIJJ-SNVBAGLBSA-N 0 1 242.750 2.326 20 0 BEADMN CC[N@H+]1CCC[C@@H]1CNc1ncncc1Cl ZINC000163578810 353355798 /nfs/dbraw/zinc/35/57/98/353355798.db2.gz LFHZGQGTCAPNQR-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN CCN1CCC[C@@H]1CNc1ncncc1Cl ZINC000163578810 353355800 /nfs/dbraw/zinc/35/58/00/353355800.db2.gz LFHZGQGTCAPNQR-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN Cn1ncnc1CNCC(C)(C)C1=CCCCC1 ZINC000639058683 353364715 /nfs/dbraw/zinc/36/47/15/353364715.db2.gz TZXLJQFJOARYEA-UHFFFAOYSA-N 0 1 248.374 2.431 20 0 BEADMN CCCc1csc(CNC[C@@H](O)C(C)C)n1 ZINC000336672173 188340312 /nfs/dbraw/zinc/34/03/12/188340312.db2.gz ADDPRECMRZQARL-LLVKDONJSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@H](O)C[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328483935 188337142 /nfs/dbraw/zinc/33/71/42/188337142.db2.gz QMYWNRWWLBYKDS-IUCAKERBSA-N 0 1 243.734 2.295 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1ncc(Cl)s1 ZINC000335920122 188338571 /nfs/dbraw/zinc/33/85/71/188338571.db2.gz VVFOFBSDKDPBNI-ZETCQYMHSA-N 0 1 246.763 2.454 20 0 BEADMN CCN1CCN(c2cc(C(C)C)ncn2)[C@H](C)C1 ZINC000343293285 353373482 /nfs/dbraw/zinc/37/34/82/353373482.db2.gz VPBFQXXGQRLIJT-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN COc1cccc(CN(C)CC[C@@H](C)O)c1F ZINC000135644324 538116421 /nfs/dbraw/zinc/11/64/21/538116421.db2.gz XSWJBIPLXGIUAY-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cnn[n-]1 ZINC000398330126 363220160 /nfs/dbraw/zinc/22/01/60/363220160.db2.gz HPOPIFDEJPKEHD-ZJUUUORDSA-N 0 1 210.325 2.109 20 0 BEADMN C[C@@H](N[C@H]1CCOC(C)(C)C1)c1csnn1 ZINC000398313043 363217572 /nfs/dbraw/zinc/21/75/72/363217572.db2.gz BXGZACFIQWNWOH-BDAKNGLRSA-N 0 1 241.360 2.146 20 0 BEADMN C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1csnn1 ZINC000398313056 363217598 /nfs/dbraw/zinc/21/75/98/363217598.db2.gz BXGZACFIQWNWOH-RKDXNWHRSA-N 0 1 241.360 2.146 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C ZINC000608145213 353386191 /nfs/dbraw/zinc/38/61/91/353386191.db2.gz WSBLUXVJRJXWAA-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268928789 188374312 /nfs/dbraw/zinc/37/43/12/188374312.db2.gz DYTCSSBYTLDEPS-GXSJLCMTSA-N 0 1 235.331 2.195 20 0 BEADMN CC(C)[C@H](O)CN1CCOC[C@@H]1c1ccccc1 ZINC000336790624 188360713 /nfs/dbraw/zinc/36/07/13/188360713.db2.gz XNCYXWFDXYVBRY-HUUCEWRRSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCCO2)n1 ZINC000337376647 188362804 /nfs/dbraw/zinc/36/28/04/188362804.db2.gz VWARJPWXNQSKAS-MRVPVSSYSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(SC[C@H]2CCCO2)n[nH]1 ZINC000337376647 188362806 /nfs/dbraw/zinc/36/28/06/188362806.db2.gz VWARJPWXNQSKAS-MRVPVSSYSA-N 0 1 241.360 2.373 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(CCC)CC1 ZINC000337424922 188363171 /nfs/dbraw/zinc/36/31/71/188363171.db2.gz CPZGBDLMLWHMIE-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1cc(CN2CC[C@@H](O)C(C)(C)C2)sn1 ZINC000639086404 353427158 /nfs/dbraw/zinc/42/71/58/353427158.db2.gz UTVKNMNPCLMSKC-LLVKDONJSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)C[C@H](N)c1noc(COC(C)C)n1 ZINC000339389169 188368501 /nfs/dbraw/zinc/36/85/01/188368501.db2.gz ACYMQHZNWRFFTK-VIFPVBQESA-N 0 1 227.308 2.041 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccon2)CC1 ZINC000280303463 188383285 /nfs/dbraw/zinc/38/32/85/188383285.db2.gz FWLVVPSACSMNEQ-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN CC(C)[C@@H]1N(Cc2cc[nH]n2)CC1(C)C ZINC000293781092 188391618 /nfs/dbraw/zinc/39/16/18/188391618.db2.gz BWNARAYLZVUAEV-NSHDSACASA-N 0 1 207.321 2.276 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccsc1C ZINC000294472544 188392661 /nfs/dbraw/zinc/39/26/61/188392661.db2.gz SVYVNBQKSSMKHI-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC[C@H]1C ZINC000294949388 188393557 /nfs/dbraw/zinc/39/35/57/188393557.db2.gz FHPUGKVZDZUAKK-DGCLKSJQSA-N 0 1 232.327 2.006 20 0 BEADMN COCc1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000449424154 324140029 /nfs/dbraw/zinc/14/00/29/324140029.db2.gz CTWODUFPGRJZAU-ZDUSSCGKSA-N 0 1 221.300 2.410 20 0 BEADMN CS[C@H]1CC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000230917847 353547044 /nfs/dbraw/zinc/54/70/44/353547044.db2.gz YUXMZGXTUYLAOG-SFYZADRCSA-N 0 1 249.343 2.049 20 0 BEADMN CS[C@H]1CC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000230917855 353547092 /nfs/dbraw/zinc/54/70/92/353547092.db2.gz YUXMZGXTUYLAOG-YUMQZZPRSA-N 0 1 249.343 2.049 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000577862736 366090149 /nfs/dbraw/zinc/09/01/49/366090149.db2.gz HKLVEXZLXWLDAX-QWRGUYRKSA-N 0 1 237.347 2.283 20 0 BEADMN CCc1cnc(CNCCC2(O)CCC2)s1 ZINC000336781233 353647841 /nfs/dbraw/zinc/64/78/41/353647841.db2.gz UCZFLDHOUPKNPU-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ncn(C)n1 ZINC000391942625 259446752 /nfs/dbraw/zinc/44/67/52/259446752.db2.gz SHQGICKKWZWZAR-KXNHARMFSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@@H]1C[C@H](NC2CC(C)(F)C2)c2nccn21 ZINC000334519460 353671736 /nfs/dbraw/zinc/67/17/36/353671736.db2.gz IXTZMPFAYABNRL-HUXNSBQSSA-N 0 1 223.295 2.369 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CC2CCC1CC2 ZINC000398472247 363250785 /nfs/dbraw/zinc/25/07/85/363250785.db2.gz XOOMLSMTHYOKMK-PGHLRGPGSA-N 0 1 234.347 2.109 20 0 BEADMN Fc1cccc(NCCCNCc2cocn2)c1 ZINC000192343294 181001636 /nfs/dbraw/zinc/00/16/36/181001636.db2.gz YZLYLDINAMRLOS-UHFFFAOYSA-N 0 1 249.289 2.406 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cc(C)ns2)C1 ZINC000639119666 353757716 /nfs/dbraw/zinc/75/77/16/353757716.db2.gz ZGAYHLBSCVEHCZ-GFCCVEGCSA-N 0 1 240.372 2.452 20 0 BEADMN COCCc1ncc(CN2[C@H](C)C[C@@H]2C)s1 ZINC000639119833 353758018 /nfs/dbraw/zinc/75/80/18/353758018.db2.gz DGYFRPGYXVAXGC-AOOOYVTPSA-N 0 1 240.372 2.315 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639120144 353767101 /nfs/dbraw/zinc/76/71/01/353767101.db2.gz FWNCSPUGXKAHQP-NXEZZACHSA-N 0 1 246.310 2.114 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@H](c1nccn1C)C1CC1 ZINC000639120162 353767245 /nfs/dbraw/zinc/76/72/45/353767245.db2.gz GANADAMYMKXWAS-FOGDFJRCSA-N 0 1 219.332 2.354 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccns2)C1 ZINC000639117853 353744218 /nfs/dbraw/zinc/74/42/18/353744218.db2.gz LKMQEEJZUYTGEO-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1nc2ccccc2nc1CN1CC(C)C1 ZINC000639123700 353796642 /nfs/dbraw/zinc/79/66/42/353796642.db2.gz OQHRPHHQHYKKTN-UHFFFAOYSA-N 0 1 227.311 2.390 20 0 BEADMN Cn1c(CNCCF)cc2ccccc21 ZINC000639133368 353843352 /nfs/dbraw/zinc/84/33/52/353843352.db2.gz NMBOADFMSNSXKS-UHFFFAOYSA-N 0 1 206.264 2.237 20 0 BEADMN CC[C@H]1CN(Cc2ccns2)CCCO1 ZINC000639136467 353845958 /nfs/dbraw/zinc/84/59/58/353845958.db2.gz QXKMHKHKIRDRRD-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN c1cc(CN2CCC[C@H]2[C@@H]2CCCO2)sn1 ZINC000639146004 353851289 /nfs/dbraw/zinc/85/12/89/353851289.db2.gz ANBQADUYBRRLJE-RYUDHWBXSA-N 0 1 238.356 2.287 20 0 BEADMN c1cc(CN2CC(C3CCOCC3)C2)sn1 ZINC000639137824 353854862 /nfs/dbraw/zinc/85/48/62/353854862.db2.gz JNRFLIKDXJFZQD-UHFFFAOYSA-N 0 1 238.356 2.002 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000334536527 353922494 /nfs/dbraw/zinc/92/24/94/353922494.db2.gz CBHZXHXJICJPBD-UWVGGRQHSA-N 0 1 243.310 2.494 20 0 BEADMN c1cc(CNCc2cccc3c[nH]nc32)co1 ZINC000343696163 353965790 /nfs/dbraw/zinc/96/57/90/353965790.db2.gz RPVZQUBDJRLZGN-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN CC(C)(C)[C@@H](O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000343764340 353978172 /nfs/dbraw/zinc/97/81/72/353978172.db2.gz KSCYRZFMOAMWAS-RYUDHWBXSA-N 0 1 243.391 2.140 20 0 BEADMN Cc1nc([C@@H](C)N2CCSC(C)(C)C2)n[nH]1 ZINC000334547123 353985135 /nfs/dbraw/zinc/98/51/35/353985135.db2.gz DTZLENMOTYDQGC-MRVPVSSYSA-N 0 1 240.376 2.002 20 0 BEADMN C[C@H](C(=O)Nc1ccncc1)N1CCCCCC1 ZINC000074187737 354040558 /nfs/dbraw/zinc/04/05/58/354040558.db2.gz IAFQBTGVNIXFGP-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN CCn1nncc1CN1CCC[C@H]2CCC[C@H]21 ZINC000334555147 354000238 /nfs/dbraw/zinc/00/02/38/354000238.db2.gz BLFBLGJHHLMRGI-DGCLKSJQSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1nncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000334555150 354000591 /nfs/dbraw/zinc/00/05/91/354000591.db2.gz BLFBLGJHHLMRGI-WCQYABFASA-N 0 1 234.347 2.063 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@@H](C3CC3)C2)n1 ZINC000343965639 354075243 /nfs/dbraw/zinc/07/52/43/354075243.db2.gz XBCLJGNPAGUCGV-GXSJLCMTSA-N 0 1 235.331 2.425 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000343969258 354076728 /nfs/dbraw/zinc/07/67/28/354076728.db2.gz VDSAWWIDKARXAM-KOLCDFICSA-N 0 1 247.342 2.207 20 0 BEADMN CCn1nncc1CN1CCCC2(CCCC2)C1 ZINC000334565961 354087495 /nfs/dbraw/zinc/08/74/95/354087495.db2.gz WSPQAKLGJUKWSN-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344059590 354128512 /nfs/dbraw/zinc/12/85/12/354128512.db2.gz LOYOHGRNMUULAL-CMPLNLGQSA-N 0 1 225.332 2.060 20 0 BEADMN CCC(CC)[N@@H+](CC)CC(=O)NCC1CCC1 ZINC000344031184 354093983 /nfs/dbraw/zinc/09/39/83/354093983.db2.gz PJANGFNONZCZMK-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1nnc(NC(=O)C2CC(C(C)(C)C)C2)[nH]1 ZINC000334572302 354101029 /nfs/dbraw/zinc/10/10/29/354101029.db2.gz NYJUQTQMBMCHJN-UHFFFAOYSA-N 0 1 236.319 2.124 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)CN(CC)C1CC1 ZINC000344039694 354103239 /nfs/dbraw/zinc/10/32/39/354103239.db2.gz REOLQLBYCLBYOB-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CN([C@H](C)c2n[nH]c(C)n2)CCS1 ZINC000334561746 354116547 /nfs/dbraw/zinc/11/65/47/354116547.db2.gz FAKRYPYEWZUXOZ-SCZZXKLOSA-N 0 1 240.376 2.002 20 0 BEADMN CC[C@@H]1CN([C@@H](C)c2n[nH]c(C)n2)CCS1 ZINC000334561749 354116673 /nfs/dbraw/zinc/11/66/73/354116673.db2.gz FAKRYPYEWZUXOZ-WCBMZHEXSA-N 0 1 240.376 2.002 20 0 BEADMN CCc1nc(S[C@H]2CCC(C)(C)C2=O)n[nH]1 ZINC000334577289 354119722 /nfs/dbraw/zinc/11/97/22/354119722.db2.gz MHENRKPAHNUKSH-ZETCQYMHSA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCC(C)(C)C2=O)n1 ZINC000334577289 354119724 /nfs/dbraw/zinc/11/97/24/354119724.db2.gz MHENRKPAHNUKSH-ZETCQYMHSA-N 0 1 239.344 2.217 20 0 BEADMN COc1ccc(C2(NCc3cnc[nH]3)CC2)cc1 ZINC000344175951 354173929 /nfs/dbraw/zinc/17/39/29/354173929.db2.gz IZDLITJWFFQONB-UHFFFAOYSA-N 0 1 243.310 2.197 20 0 BEADMN CC(C)OC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449703431 202003861 /nfs/dbraw/zinc/00/38/61/202003861.db2.gz GCMOLBJLJMSPBD-SNVBAGLBSA-N 0 1 238.331 2.455 20 0 BEADMN CCOC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449702199 202005384 /nfs/dbraw/zinc/00/53/84/202005384.db2.gz CWVVDSWVNGRFTR-VIFPVBQESA-N 0 1 224.304 2.067 20 0 BEADMN CO[C@H](C)CNCc1nc2c(s1)CCCC2 ZINC000309986460 491059707 /nfs/dbraw/zinc/05/97/07/491059707.db2.gz YNCCQHZJTJGUOF-SECBINFHSA-N 0 1 240.372 2.146 20 0 BEADMN CCC[C@H](C)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000344253591 354190747 /nfs/dbraw/zinc/19/07/47/354190747.db2.gz RWIQUJJWPBWJDT-WDEREUQCSA-N 0 1 249.358 2.210 20 0 BEADMN CC(C)[C@H](C)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000344256077 354191430 /nfs/dbraw/zinc/19/14/30/354191430.db2.gz VSFARCCRDQQRDO-GHMZBOCLSA-N 0 1 249.358 2.065 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000334585601 354209009 /nfs/dbraw/zinc/20/90/09/354209009.db2.gz SMILDAVDDHGABC-ZYHUDNBSSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@]1(c2nc(C3(N)CCCC3)no2)CC1(F)F ZINC000334587864 354213574 /nfs/dbraw/zinc/21/35/74/354213574.db2.gz QSCOGDJPJMSYER-SECBINFHSA-N 0 1 243.257 2.094 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)n(C)n1 ZINC000334598505 354233750 /nfs/dbraw/zinc/23/37/50/354233750.db2.gz LXNGIHGDYJVKDG-GHMZBOCLSA-N 0 1 239.388 2.054 20 0 BEADMN CCn1nncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000334611154 354294477 /nfs/dbraw/zinc/29/44/77/354294477.db2.gz LHLYMAQYXCUGSI-TZMCWYRMSA-N 0 1 248.374 2.453 20 0 BEADMN CCN(Cc1cscn1)C[C@@H]1CCOC1 ZINC000613463063 363369996 /nfs/dbraw/zinc/36/99/96/363369996.db2.gz KILVQOQOOABWJN-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCOC(C)(C)C ZINC000344473493 354267998 /nfs/dbraw/zinc/26/79/98/354267998.db2.gz LVZONUIKMCBUPQ-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000344436784 354272535 /nfs/dbraw/zinc/27/25/35/354272535.db2.gz WLFVXCZADNDJHD-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CN(C)CC(=O)Nc1ccccc1F ZINC000344549154 354315615 /nfs/dbraw/zinc/31/56/15/354315615.db2.gz OZLKFZKPIQWAKR-UHFFFAOYSA-N 0 1 238.306 2.352 20 0 BEADMN CC[C@@H](NCc1c[nH]cn1)c1c(C)nn(C)c1C ZINC000344754526 354350659 /nfs/dbraw/zinc/35/06/59/354350659.db2.gz BFMHFKFFUGPZFA-GFCCVEGCSA-N 0 1 247.346 2.001 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCCCC12CCCC2 ZINC000334687123 354433683 /nfs/dbraw/zinc/43/36/83/354433683.db2.gz ISOBYGLDSJMNCH-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN FC[C@@H]1CN(Cc2cccc(F)c2)CCCO1 ZINC000334645728 354435137 /nfs/dbraw/zinc/43/51/37/354435137.db2.gz JUVMGHLNJFGZPA-CYBMUJFWSA-N 0 1 241.281 2.386 20 0 BEADMN Cn1cc(Cl)c(CNC2CC3(CCC3)C2)n1 ZINC000334647595 354437981 /nfs/dbraw/zinc/43/79/81/354437981.db2.gz WWPYBAMNLOIAHI-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN Cc1nocc1CN1CCSC[C@H]1C1CC1 ZINC000334679299 354423995 /nfs/dbraw/zinc/42/39/95/354423995.db2.gz NXBDOLJPOKTIJR-LBPRGKRZSA-N 0 1 238.356 2.310 20 0 BEADMN Cc1ncc(CN2CCSC[C@H]2C2CC2)cn1 ZINC000334679816 354425232 /nfs/dbraw/zinc/42/52/32/354425232.db2.gz UJSHDWBPENGIMT-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN CC1(CO)CN(Cc2cccc3cccnc32)C1 ZINC000334648641 354440119 /nfs/dbraw/zinc/44/01/19/354440119.db2.gz YYUCIUHBKHLVPQ-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN C[C@@H](O)CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000334689546 354477703 /nfs/dbraw/zinc/47/77/03/354477703.db2.gz MFRRJHXYNAPGGE-SNVBAGLBSA-N 0 1 239.746 2.469 20 0 BEADMN C[C@@H](O)CCN1CCc2cc(Cl)ccc2C1 ZINC000334689546 354477706 /nfs/dbraw/zinc/47/77/06/354477706.db2.gz MFRRJHXYNAPGGE-SNVBAGLBSA-N 0 1 239.746 2.469 20 0 BEADMN C[C@H]1CCC(C)(C)N1Cc1cnns1 ZINC000334692678 354482497 /nfs/dbraw/zinc/48/24/97/354482497.db2.gz XRCMDIACUISUKX-QMMMGPOBSA-N 0 1 211.334 2.301 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2cc(F)ccc21 ZINC000334735000 354535913 /nfs/dbraw/zinc/53/59/13/354535913.db2.gz PYVZVHGLSBODGC-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000334738550 354541415 /nfs/dbraw/zinc/54/14/15/354541415.db2.gz NTMFUVPCLTWQRF-JSGCOSHPSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc2ccccc2o1 ZINC000639193578 354559458 /nfs/dbraw/zinc/55/94/58/354559458.db2.gz OGUYORINYVEGBT-ZJUUUORDSA-N 0 1 234.299 2.341 20 0 BEADMN Cc1nc([C@@H](C)N2CCc3ccccc32)n[nH]1 ZINC000334808054 354565104 /nfs/dbraw/zinc/56/51/04/354565104.db2.gz TZWBZULMYLASOB-SECBINFHSA-N 0 1 228.299 2.237 20 0 BEADMN Cc1nc([C@H](C)N2CC[C@H](C)C(F)(F)C2)n[nH]1 ZINC000334810881 354568020 /nfs/dbraw/zinc/56/80/20/354568020.db2.gz AXXCXCRSXCEUJW-YUMQZZPRSA-N 0 1 244.289 2.151 20 0 BEADMN Cc1noc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)n1 ZINC000334754964 354576235 /nfs/dbraw/zinc/57/62/35/354576235.db2.gz HYJSDUOCHGIPEB-VHSXEESVSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000334754964 354576237 /nfs/dbraw/zinc/57/62/37/354576237.db2.gz HYJSDUOCHGIPEB-VHSXEESVSA-N 0 1 223.320 2.389 20 0 BEADMN CCN([C@H](C)c1cnc(C)nc1C)[C@@H]1CCOC1 ZINC000639198111 354599417 /nfs/dbraw/zinc/59/94/17/354599417.db2.gz ODBKGMATSLWZPE-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)[C@H]1CN(C(=O)c2cnc[nH]2)[C@H]1C(C)C ZINC000334743824 354547331 /nfs/dbraw/zinc/54/73/31/354547331.db2.gz NVJQGNWJYYRKCI-PWSUYJOCSA-N 0 1 235.331 2.162 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)[nH]1 ZINC000334744228 354547463 /nfs/dbraw/zinc/54/74/63/354547463.db2.gz RCHNWOIMSWTQBN-WCQYABFASA-N 0 1 249.358 2.471 20 0 BEADMN OC1([C@@H]2CCCCN2Cc2nccs2)CC1 ZINC000334795492 354549298 /nfs/dbraw/zinc/54/92/98/354549298.db2.gz WJPWUQNTCUSGSJ-JTQLQIEISA-N 0 1 238.356 2.023 20 0 BEADMN Cc1cccc(CN(C)[C@H]2CCCNC2=O)c1C ZINC000334796617 354551149 /nfs/dbraw/zinc/55/11/49/354551149.db2.gz VXIPWSDRLLTYIE-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@H]1C[N@@H+](C)CCN1c1nc2cc(F)ccc2o1 ZINC000335093704 354630817 /nfs/dbraw/zinc/63/08/17/354630817.db2.gz BTIVUZOYNPQPGV-VIFPVBQESA-N 0 1 249.289 2.107 20 0 BEADMN C[C@H]1CN(C)CCN1c1nc2cc(F)ccc2o1 ZINC000335093704 354630820 /nfs/dbraw/zinc/63/08/20/354630820.db2.gz BTIVUZOYNPQPGV-VIFPVBQESA-N 0 1 249.289 2.107 20 0 BEADMN COCC1(CCNCc2ncc(C)o2)CCC1 ZINC000639205577 354658145 /nfs/dbraw/zinc/65/81/45/354658145.db2.gz KVAUCQDGAJHKIH-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335083139 354616790 /nfs/dbraw/zinc/61/67/90/354616790.db2.gz UVCJKVQOWCPZMC-QMMMGPOBSA-N 0 1 247.273 2.327 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC(C2CCC2)C1 ZINC000335084365 354618106 /nfs/dbraw/zinc/61/81/06/354618106.db2.gz BDIAXOYGTWPYCF-UHFFFAOYSA-N 0 1 245.326 2.159 20 0 BEADMN Cc1ccc(CN(C)C(=O)c2ccn[nH]2)cc1C ZINC000335086227 354619798 /nfs/dbraw/zinc/61/97/98/354619798.db2.gz PMPOGDYEPZGHQR-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN COCC1(CNCC(C)(F)F)CCC1 ZINC000639207406 354684884 /nfs/dbraw/zinc/68/48/84/354684884.db2.gz HOOGANAQWJISEC-UHFFFAOYSA-N 0 1 207.264 2.048 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1nc2ccccc2o1 ZINC000345677080 354731013 /nfs/dbraw/zinc/73/10/13/354731013.db2.gz YERWYZGMDVSTAI-LBPRGKRZSA-N 0 1 248.326 2.324 20 0 BEADMN C[C@]1(C(=O)Nc2ccc(F)c(F)c2O)C[C@@H]1F ZINC000335114897 354703731 /nfs/dbraw/zinc/70/37/31/354703731.db2.gz INOPZGLEBWJVBJ-CPCISQLKSA-N 0 1 245.200 2.357 20 0 BEADMN CCC1CN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000335115289 354704453 /nfs/dbraw/zinc/70/44/53/354704453.db2.gz QOARACDKNRIKFB-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN CCOC1CC(CNCC(C)(F)F)C1 ZINC000639208533 354720760 /nfs/dbraw/zinc/72/07/60/354720760.db2.gz XFIVFBXXZBECRV-UHFFFAOYSA-N 0 1 207.264 2.046 20 0 BEADMN CCc1nocc1CN(C)C[C@](C)(CC)OC ZINC000639208890 354728561 /nfs/dbraw/zinc/72/85/61/354728561.db2.gz GTDVQHMCGYVGAE-ZDUSSCGKSA-N 0 1 240.347 2.484 20 0 BEADMN COC[C@@H]1CCN1Cc1cc2ccccc2n1C ZINC000639206442 354679228 /nfs/dbraw/zinc/67/92/28/354679228.db2.gz JANOOGRBYCDFFA-ZDUSSCGKSA-N 0 1 244.338 2.399 20 0 BEADMN CCn1cncc1CN1CCC(C)=C(C)C1 ZINC000335129181 354775709 /nfs/dbraw/zinc/77/57/09/354775709.db2.gz FEFSCNRYDVHOBS-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CCCCNC(=O)C1(NCCF)CCCCC1 ZINC000345761280 354778007 /nfs/dbraw/zinc/77/80/07/354778007.db2.gz TYVIYSJTKGKABS-UHFFFAOYSA-N 0 1 244.354 2.165 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000335134074 354781885 /nfs/dbraw/zinc/78/18/85/354781885.db2.gz NVEPILLAQLYFLT-UHFFFAOYSA-N 0 1 229.283 2.383 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC(C)(C)C)C[C@@H]1C ZINC000345942943 354815939 /nfs/dbraw/zinc/81/59/39/354815939.db2.gz FHRXTMSSORRNHB-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)OC(C)(C)C1 ZINC000232866290 363387003 /nfs/dbraw/zinc/38/70/03/363387003.db2.gz QXJREONFVQHICI-NSHDSACASA-N 0 1 227.348 2.245 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@@H](C)C(C)C)C[C@H]1C ZINC000345948223 354817565 /nfs/dbraw/zinc/81/75/65/354817565.db2.gz HRPCSYWBXQUORD-AGIUHOORSA-N 0 1 240.391 2.220 20 0 BEADMN CCc1cnc(CN(C[C@H](C)O)C(C)C)s1 ZINC000346173946 354868302 /nfs/dbraw/zinc/86/83/02/354868302.db2.gz BXMHOLSWFFYIJQ-JTQLQIEISA-N 0 1 242.388 2.297 20 0 BEADMN COC[C@]1(C)CCN(Cc2ccns2)C1 ZINC000639220281 354876790 /nfs/dbraw/zinc/87/67/90/354876790.db2.gz WUZNXVUYSSGJME-LLVKDONJSA-N 0 1 226.345 2.002 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ccns2)C1 ZINC000639220282 354877144 /nfs/dbraw/zinc/87/71/44/354877144.db2.gz WUZNXVUYSSGJME-NSHDSACASA-N 0 1 226.345 2.002 20 0 BEADMN CCCCOCCN[C@H](CCO)c1ccco1 ZINC000346211067 354877193 /nfs/dbraw/zinc/87/71/93/354877193.db2.gz YJULPUNSFLGURV-GFCCVEGCSA-N 0 1 241.331 2.109 20 0 BEADMN C[C@H](N[C@H]1C=CCCC1)c1ccn(C)n1 ZINC000335142025 354846714 /nfs/dbraw/zinc/84/67/14/354846714.db2.gz OFBHWXOGFZIVKI-QWRGUYRKSA-N 0 1 205.305 2.179 20 0 BEADMN Cc1oncc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000335143825 354850446 /nfs/dbraw/zinc/85/04/46/354850446.db2.gz XJPKUXUFVKYBLF-IUCAKERBSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccsc2)[C@@H]1C(=O)[O-] ZINC000235325241 363441058 /nfs/dbraw/zinc/44/10/58/363441058.db2.gz XHLVBHBDGFXKMG-KOLCDFICSA-N 0 1 239.340 2.433 20 0 BEADMN Cn1ccnc1[C@@H](C1CC1)N1CC[C@H]1C1CC1 ZINC000639221557 354893307 /nfs/dbraw/zinc/89/33/07/354893307.db2.gz CNXNEHLHZWYBPW-QWHCGFSZSA-N 0 1 231.343 2.356 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC[C@@H]1C1CC1 ZINC000639221555 354893373 /nfs/dbraw/zinc/89/33/73/354893373.db2.gz CNXNEHLHZWYBPW-OLZOCXBDSA-N 0 1 231.343 2.356 20 0 BEADMN COc1cncc(C[N@H+]2CC[C@H]2C2CC2)c1C ZINC000639223125 354928423 /nfs/dbraw/zinc/92/84/23/354928423.db2.gz RJPNPPOIVFHRKI-ZDUSSCGKSA-N 0 1 232.327 2.383 20 0 BEADMN Cc1cccc(CN(C)CCOCC(F)F)n1 ZINC000346434079 354933437 /nfs/dbraw/zinc/93/34/37/354933437.db2.gz LAZRUARWGRZOMQ-UHFFFAOYSA-N 0 1 244.285 2.104 20 0 BEADMN Cc1csc(CN2CCC[C@@H](CO)[C@H]2C)n1 ZINC000335178618 354963894 /nfs/dbraw/zinc/96/38/94/354963894.db2.gz MUMOREBPWSPKGL-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c(C)n1 ZINC000335178838 354964813 /nfs/dbraw/zinc/96/48/13/354964813.db2.gz LOQZICMTLOQBQD-HIFRSBDPSA-N 0 1 248.370 2.291 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000346526459 354976229 /nfs/dbraw/zinc/97/62/29/354976229.db2.gz MKRGNJYDWQIWPC-CHWSQXEVSA-N 0 1 240.391 2.412 20 0 BEADMN CCN(Cc1cccc(F)c1)C(=O)c1cnc[nH]1 ZINC000346533686 354979232 /nfs/dbraw/zinc/97/92/32/354979232.db2.gz VGMPSVINLMWJST-UHFFFAOYSA-N 0 1 247.273 2.211 20 0 BEADMN c1ccc(-c2n[nH]c(S[C@H]3CCOC3)n2)cc1 ZINC000335192845 355025998 /nfs/dbraw/zinc/02/59/98/355025998.db2.gz LJXFIHSSEWKMDR-JTQLQIEISA-N 0 1 247.323 2.353 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N(C)C1CC(O)C1 ZINC000335183221 355081071 /nfs/dbraw/zinc/08/10/71/355081071.db2.gz DILUSYOQRCHJQS-PUSIOWJLSA-N 0 1 241.281 2.481 20 0 BEADMN COc1ncccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000335218554 355057188 /nfs/dbraw/zinc/05/71/88/355057188.db2.gz QXMUSIRPGDHPDC-DGCLKSJQSA-N 0 1 232.327 2.465 20 0 BEADMN C[C@H](N[C@@H]1COCC1(C)C)c1ccncc1F ZINC000335220524 355060435 /nfs/dbraw/zinc/06/04/35/355060435.db2.gz FEYVHWPEUDRETD-JOYOIKCWSA-N 0 1 238.306 2.296 20 0 BEADMN C[N@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000335221498 355061857 /nfs/dbraw/zinc/06/18/57/355061857.db2.gz WKGVYWNJGYAKFE-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cc1cnc(CN2CC(C)(C)C[C@@H]2C)nc1 ZINC000335187326 355086441 /nfs/dbraw/zinc/08/64/41/355086441.db2.gz APZZMKPHDRIBQM-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN CCC[N@@H+](C)CC(=O)N(C1CCC1)C1CCC1 ZINC000346735101 355089462 /nfs/dbraw/zinc/08/94/62/355089462.db2.gz XYXIPADHFKILED-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCOC1CCC1 ZINC000346838465 355132729 /nfs/dbraw/zinc/13/27/29/355132729.db2.gz PDRBMQQYXKTKKX-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1nnsc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000639232376 355215576 /nfs/dbraw/zinc/21/55/76/355215576.db2.gz HEBIHKKTKFCYBC-YPMHNXCESA-N 0 1 249.383 2.467 20 0 BEADMN Cc1nc([C@H](C)Sc2ncc(C)cn2)n[nH]1 ZINC000412998924 191334471 /nfs/dbraw/zinc/33/44/71/191334471.db2.gz ZPLROBZZVDOFMD-ZETCQYMHSA-N 0 1 235.316 2.065 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213754 355221572 /nfs/dbraw/zinc/22/15/72/355221572.db2.gz CLGVOLMIYDPPAF-FYLLDIAZSA-N 0 1 247.342 2.085 20 0 BEADMN COc1cccnc1CN[C@H](C)[C@@H]1CC1(F)F ZINC000639240732 355225438 /nfs/dbraw/zinc/22/54/38/355225438.db2.gz XRMRIZCDPMMLFN-BDAKNGLRSA-N 0 1 242.269 2.224 20 0 BEADMN COCC1(CNCc2ncc(C)o2)CCCC1 ZINC000639240714 355225504 /nfs/dbraw/zinc/22/55/04/355225504.db2.gz WYBCPZUWDZTCRW-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN Cc1cc(F)c(CN[C@H]2C[C@@](C)(O)C2)c(F)c1 ZINC000335280189 355243547 /nfs/dbraw/zinc/24/35/47/355243547.db2.gz SEZLTTZYCDIXLF-SWZMTVOYSA-N 0 1 241.281 2.276 20 0 BEADMN CC[C@H](CN1CCn2cccc2[C@@H]1C)OC ZINC000412980160 191349920 /nfs/dbraw/zinc/34/99/20/191349920.db2.gz WPAXNXXSMJOQLO-NWDGAFQWSA-N 0 1 222.332 2.290 20 0 BEADMN CC[C@@H](CN1CCn2cccc2[C@H]1C)OC ZINC000412980159 191350744 /nfs/dbraw/zinc/35/07/44/191350744.db2.gz WPAXNXXSMJOQLO-NEPJUHHUSA-N 0 1 222.332 2.290 20 0 BEADMN CCOC1CC(CNc2ccc3c(n2)CCC3)C1 ZINC000639235454 355217282 /nfs/dbraw/zinc/21/72/82/355217282.db2.gz JIQPLHXDHDQNSW-UHFFFAOYSA-N 0 1 246.354 2.219 20 0 BEADMN COc1cc([C@H](C)NCc2cccnc2)ccn1 ZINC000347687163 355270524 /nfs/dbraw/zinc/27/05/24/355270524.db2.gz UDFIXTQVGWBXPY-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN CC(C)n1ncnc1CN1C[C@H](C)CC1(C)C ZINC000335287174 355254925 /nfs/dbraw/zinc/25/49/25/355254925.db2.gz PZOAGZDDNFFIAY-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000335287637 355256874 /nfs/dbraw/zinc/25/68/74/355256874.db2.gz AFHXLWGGSQZJPR-KOLCDFICSA-N 0 1 243.310 2.020 20 0 BEADMN Cc1nnsc1CN1CC(C(C)(C)C)C1 ZINC000639255898 355297094 /nfs/dbraw/zinc/29/70/94/355297094.db2.gz PMVIOFMGPABAHS-UHFFFAOYSA-N 0 1 225.361 2.324 20 0 BEADMN C[C@@H](NCCO)c1csc(-c2ccccc2)n1 ZINC000414056847 191421985 /nfs/dbraw/zinc/42/19/85/191421985.db2.gz DXCHVZAMEWVSDH-SNVBAGLBSA-N 0 1 248.351 2.453 20 0 BEADMN C[C@H](NCCc1ccccc1O)c1ccn(C)n1 ZINC000414080429 191427720 /nfs/dbraw/zinc/42/77/20/191427720.db2.gz SZUOGAWXSITMCO-NSHDSACASA-N 0 1 245.326 2.019 20 0 BEADMN Nc1c(F)cccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000639258291 355305964 /nfs/dbraw/zinc/30/59/64/355305964.db2.gz FITAUQWJWATVJQ-UWVGGRQHSA-N 0 1 238.331 2.098 20 0 BEADMN Cc1ncc([C@H](C)N2C[C@@H]3C[C@H]2CS3)c(C)n1 ZINC000639258390 355306003 /nfs/dbraw/zinc/30/60/03/355306003.db2.gz IEJJGISUTJBNRF-DLOVCJGASA-N 0 1 249.383 2.344 20 0 BEADMN CCn1ccc(CNC[C@@H](CC(C)C)OC)n1 ZINC000639261291 355313586 /nfs/dbraw/zinc/31/35/86/355313586.db2.gz IVWPZICUYIKXGL-CYBMUJFWSA-N 0 1 239.363 2.054 20 0 BEADMN CC[C@@H](NCc1nc(COC)no1)C(C)(C)C ZINC000348924037 355331727 /nfs/dbraw/zinc/33/17/27/355331727.db2.gz XLUAQSGIEOBYTM-SECBINFHSA-N 0 1 241.335 2.130 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000394964305 355333533 /nfs/dbraw/zinc/33/35/33/355333533.db2.gz OYKOCXSBBYDPRC-FXPVBKGRSA-N 0 1 240.372 2.361 20 0 BEADMN CCC1CN([C@H](c2nccn2C)C2CC2)C1 ZINC000639248692 355279217 /nfs/dbraw/zinc/27/92/17/355279217.db2.gz LWKWRHAMNCHFCE-LBPRGKRZSA-N 0 1 219.332 2.213 20 0 BEADMN CCC[C@@H](CN1CC[N@H+](CC)C[C@H]1CC)OC ZINC000639251139 355283357 /nfs/dbraw/zinc/28/33/57/355283357.db2.gz XYSUYRQEPQUAKE-KGLIPLIRSA-N 0 1 242.407 2.218 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC000583505229 355338786 /nfs/dbraw/zinc/33/87/86/355338786.db2.gz XGMZMEZARHIDHG-JOYOIKCWSA-N 0 1 237.274 2.436 20 0 BEADMN Cc1ccnc([C@@H]2CCN(Cc3cc[nH]n3)C2)c1 ZINC000583508790 355345806 /nfs/dbraw/zinc/34/58/06/355345806.db2.gz ULPPSIGGLBMSJK-GFCCVEGCSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335778034 355403816 /nfs/dbraw/zinc/40/38/16/355403816.db2.gz AJCGOAYBDIFZCQ-STQMWFEESA-N 0 1 246.354 2.208 20 0 BEADMN FC(F)(F)CCN1CCOCC2(CCC2)C1 ZINC000335778130 355404903 /nfs/dbraw/zinc/40/49/03/355404903.db2.gz RAHGWTAVYOKMAT-UHFFFAOYSA-N 0 1 237.265 2.441 20 0 BEADMN Cn1cncc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000335992157 134040791 /nfs/dbraw/zinc/04/07/91/134040791.db2.gz VJUPAKKSFFHHCX-LBPRGKRZSA-N 0 1 219.332 2.042 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000335786844 355436760 /nfs/dbraw/zinc/43/67/60/355436760.db2.gz AIESQBMBSKEQKG-RYUDHWBXSA-N 0 1 234.347 2.233 20 0 BEADMN CC[C@H](C(C)C)[N@H+]1CCc2n[nH]cc2C1 ZINC000623239230 355394853 /nfs/dbraw/zinc/39/48/53/355394853.db2.gz AKUPKHNQGIYMSG-GFCCVEGCSA-N 0 1 207.321 2.202 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)[C@@H]1CCCN1C ZINC000335805266 355475946 /nfs/dbraw/zinc/47/59/46/355475946.db2.gz CHARKZAGJIUNRB-STQMWFEESA-N 0 1 238.375 2.262 20 0 BEADMN CCN(Cc1ccns1)[C@H]1CCCOC1 ZINC000639293130 355539008 /nfs/dbraw/zinc/53/90/08/355539008.db2.gz FMIXRXZIKQKTAW-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN Cc1ccnc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000335825912 355550258 /nfs/dbraw/zinc/55/02/58/355550258.db2.gz RLXBRFIZBPJTAP-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccncc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000335826586 355551382 /nfs/dbraw/zinc/55/13/82/355551382.db2.gz XJADMADIHVNZQA-OAHLLOKOSA-N 0 1 247.386 2.162 20 0 BEADMN COC(=O)c1coc(CN2CC[C@H]2C(C)C)c1 ZINC000349975626 355555138 /nfs/dbraw/zinc/55/51/38/355555138.db2.gz YJIFSELSIYUFQQ-LBPRGKRZSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1cccc(SCc2c[nH]nn2)c1 ZINC000335819092 355510359 /nfs/dbraw/zinc/51/03/59/355510359.db2.gz IRUSMRCSHYHNAO-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN CCN(CCOC)Cc1c[nH]nc1C(C)(C)C ZINC000349862693 355511873 /nfs/dbraw/zinc/51/18/73/355511873.db2.gz XOUFRHITQHDVNT-UHFFFAOYSA-N 0 1 239.363 2.176 20 0 BEADMN CCN(Cc1cc(C)ns1)[C@H]1CCCOC1 ZINC000639292870 355527318 /nfs/dbraw/zinc/52/73/18/355527318.db2.gz AJKPGGJYSWFLSN-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@]1(C)CCN(Cc2nccc(C)n2)C1 ZINC000335837451 355565452 /nfs/dbraw/zinc/56/54/52/355565452.db2.gz VFAZGZCBXIVMNI-CYBMUJFWSA-N 0 1 219.332 2.407 20 0 BEADMN CC[C@]1(C)CCN(Cc2ncccn2)C1 ZINC000335872860 355640749 /nfs/dbraw/zinc/64/07/49/355640749.db2.gz NCWUITINDGEUFA-GFCCVEGCSA-N 0 1 205.305 2.099 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000335861401 355623967 /nfs/dbraw/zinc/62/39/67/355623967.db2.gz YANODSUMDOROCN-NEPJUHHUSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1ncc([C@H](C)N(C)Cc2cnc[nH]2)c(C)n1 ZINC000639301432 355639948 /nfs/dbraw/zinc/63/99/48/355639948.db2.gz RPHJBVJEIGMERT-JTQLQIEISA-N 0 1 245.330 2.010 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC[C@H]2C[C@H]2C1 ZINC000639324993 355721261 /nfs/dbraw/zinc/72/12/61/355721261.db2.gz NOTNBCHXAQBBOF-AVGNSLFASA-N 0 1 231.343 2.213 20 0 BEADMN Cc1nnc(CN(C)C2(C)CCCC2)o1 ZINC000336006170 134048807 /nfs/dbraw/zinc/04/88/07/134048807.db2.gz JMSBLXZJFYMROJ-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN Cc1ccnc(NCc2ncnn2C)c1C1CC1 ZINC000639311973 355673408 /nfs/dbraw/zinc/67/34/08/355673408.db2.gz RNLUSUZWFJQPHS-UHFFFAOYSA-N 0 1 243.314 2.008 20 0 BEADMN CCc1cc(C(=O)N2CC(C3CCCC3)C2)n[nH]1 ZINC000335883478 355673643 /nfs/dbraw/zinc/67/36/43/355673643.db2.gz QRRPXVKJYOECGY-UHFFFAOYSA-N 0 1 247.342 2.234 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC000335890129 355681978 /nfs/dbraw/zinc/68/19/78/355681978.db2.gz NXBRARDTTGAEDU-CMPLNLGQSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1N ZINC000335893177 355686163 /nfs/dbraw/zinc/68/61/63/355686163.db2.gz QTPBSRIXJNZPKY-GHMZBOCLSA-N 0 1 247.342 2.080 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)c2)[C@@H](C(N)=O)C1 ZINC000335893409 355687748 /nfs/dbraw/zinc/68/77/48/355687748.db2.gz NCPRMJZLLIVSOD-CMPLNLGQSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)=CCNCc1nccn1C(F)F ZINC000191626842 355754718 /nfs/dbraw/zinc/75/47/18/355754718.db2.gz TTWZFNGGQKUZEL-UHFFFAOYSA-N 0 1 215.247 2.334 20 0 BEADMN C[C@@H](O)[C@H](NCc1ccns1)c1ccccc1 ZINC000639332562 355759868 /nfs/dbraw/zinc/75/98/68/355759868.db2.gz NBZIQBHEOWOTIH-MFKMUULPSA-N 0 1 248.351 2.355 20 0 BEADMN Cc1cnc(CNCCCc2ccco2)o1 ZINC000639336611 355771903 /nfs/dbraw/zinc/77/19/03/355771903.db2.gz XJBKXCAYZDNLKI-UHFFFAOYSA-N 0 1 220.272 2.298 20 0 BEADMN COc1cc(CN[C@@H]2CC[C@H](C)SC2)on1 ZINC000639326798 355732441 /nfs/dbraw/zinc/73/24/41/355732441.db2.gz UTONNMCXOCLFMN-DTWKUNHWSA-N 0 1 242.344 2.057 20 0 BEADMN CCC(C)(C)OC1CN(CCC[C@@H]2CCO2)C1 ZINC000639348822 355789832 /nfs/dbraw/zinc/78/98/32/355789832.db2.gz KCERPEFYLRAFAC-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cc(C)ns1 ZINC000639349294 355790326 /nfs/dbraw/zinc/79/03/26/355790326.db2.gz KTRAADNBTBFBEL-MNOVXSKESA-N 0 1 226.345 2.109 20 0 BEADMN CCn1ncnc1CNCC[C@H]1CC=CCC1 ZINC000639350556 355799238 /nfs/dbraw/zinc/79/92/38/355799238.db2.gz IOOKVULTMBYGKE-LBPRGKRZSA-N 0 1 234.347 2.134 20 0 BEADMN CC[C@H](C)[C@@H](CN1CCO[C@@H](CCF)C1)OC ZINC000639352218 355801404 /nfs/dbraw/zinc/80/14/04/355801404.db2.gz FHLBMVMWZRKGTH-RWMBFGLXSA-N 0 1 247.354 2.108 20 0 BEADMN CC1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000335688177 535290260 /nfs/dbraw/zinc/29/02/60/535290260.db2.gz RMJXUPIZTDDDPM-UHFFFAOYSA-N 0 1 241.294 2.169 20 0 BEADMN OCc1ccc(CN2CC(c3ccccc3)C2)o1 ZINC000639361786 355816178 /nfs/dbraw/zinc/81/61/78/355816178.db2.gz RMNNFKJDBTWCPZ-UHFFFAOYSA-N 0 1 243.306 2.371 20 0 BEADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1ncc[nH]1 ZINC000639366005 355841053 /nfs/dbraw/zinc/84/10/53/355841053.db2.gz IDKCKVWGLQNGJV-SMDDNHRTSA-N 0 1 245.326 2.276 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)[C@H](C)O1 ZINC000639378204 355911006 /nfs/dbraw/zinc/91/10/06/355911006.db2.gz RWCMYKSAYPPJRL-VDDIYKPWSA-N 0 1 236.315 2.208 20 0 BEADMN COCC1(C2CC2)CN(Cc2cccnc2C)C1 ZINC000639379198 355914854 /nfs/dbraw/zinc/91/48/54/355914854.db2.gz FUPOIDKYJIVQAX-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CSc1ccc(CNC2(C)COC2)s1 ZINC000639380160 355916186 /nfs/dbraw/zinc/91/61/86/355916186.db2.gz AZJCWRZOAHJFPF-UHFFFAOYSA-N 0 1 229.370 2.349 20 0 BEADMN COc1cc(CN2[C@H](C)C[C@@H]2C)ccn1 ZINC000336056055 134066387 /nfs/dbraw/zinc/06/63/87/134066387.db2.gz UEDYWXYIHQLKED-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN COc1ccccc1/C=C/CNC1(C)COC1 ZINC000639381535 355922594 /nfs/dbraw/zinc/92/25/94/355922594.db2.gz FBQPFLUYMQYFPC-FNORWQNLSA-N 0 1 233.311 2.087 20 0 BEADMN CC1(NCc2ccc(OC(F)F)cc2)COC1 ZINC000639381871 355924766 /nfs/dbraw/zinc/92/47/66/355924766.db2.gz KJCGCYKVPBURGS-UHFFFAOYSA-N 0 1 243.253 2.167 20 0 BEADMN Cc1ccc(C)c(CNC2(C)COC2)c1 ZINC000639382142 355926844 /nfs/dbraw/zinc/92/68/44/355926844.db2.gz NDBZDMGMYCMORH-UHFFFAOYSA-N 0 1 205.301 2.182 20 0 BEADMN COCC1(NCc2ccc(Cl)o2)CC1 ZINC000389267231 355943674 /nfs/dbraw/zinc/94/36/74/355943674.db2.gz KAOCMPKNIHYYMP-UHFFFAOYSA-N 0 1 215.680 2.202 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1ccc(F)cn1 ZINC000582221132 355962814 /nfs/dbraw/zinc/96/28/14/355962814.db2.gz RWEVNXRMBNNMLS-CYZMBNFOSA-N 0 1 238.306 2.439 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1ccc(F)cn1 ZINC000582221133 355962847 /nfs/dbraw/zinc/96/28/47/355962847.db2.gz RWEVNXRMBNNMLS-KGYLQXTDSA-N 0 1 238.306 2.439 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC(C)(C)C1 ZINC000639393536 356060036 /nfs/dbraw/zinc/06/00/36/356060036.db2.gz MHWPVRNOEAKKCT-UHFFFAOYSA-N 0 1 232.327 2.487 20 0 BEADMN CCn1cncc1CN1CCC(C)(F)CC1 ZINC000639389202 356011870 /nfs/dbraw/zinc/01/18/70/356011870.db2.gz UAPOKOXQMFWHML-UHFFFAOYSA-N 0 1 225.311 2.227 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1ccncc1 ZINC000351712462 356066903 /nfs/dbraw/zinc/06/69/03/356066903.db2.gz PNLABMOXTGCQAE-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CC[C@@H](C)F ZINC000351862250 356099444 /nfs/dbraw/zinc/09/94/44/356099444.db2.gz UALVUPMVTVRPPS-MNOVXSKESA-N 0 1 231.311 2.152 20 0 BEADMN C[C@@H](Nc1cc2c(cn1)CCC2)[C@@H]1CCOC1 ZINC000335916410 356157444 /nfs/dbraw/zinc/15/74/44/356157444.db2.gz WDSQWCIKAZQOMX-ZWNOBZJWSA-N 0 1 232.327 2.407 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000335916968 356159958 /nfs/dbraw/zinc/15/99/58/356159958.db2.gz NGWGCECOPSRNAB-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000335916966 356160188 /nfs/dbraw/zinc/16/01/88/356160188.db2.gz NGWGCECOPSRNAB-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN O=C(NC1CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000336091180 134078301 /nfs/dbraw/zinc/07/83/01/134078301.db2.gz PULFGAHZTFHOKO-ZDUSSCGKSA-N 0 1 236.359 2.062 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC2(C)C)cn1 ZINC000336091902 134079018 /nfs/dbraw/zinc/07/90/18/134079018.db2.gz OPLYWEBBOJEQHI-NSHDSACASA-N 0 1 205.305 2.015 20 0 BEADMN CCN(CC(=O)N[C@@H](C)C(C)(C)CC)C1CC1 ZINC000617569666 356130680 /nfs/dbraw/zinc/13/06/80/356130680.db2.gz BJCAAWQRIGOBMA-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H]1CCCN(CC(=O)Nc2ccccn2)C1 ZINC000639441895 356220223 /nfs/dbraw/zinc/22/02/23/356220223.db2.gz YBALVCAYSXUSNY-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CC(C)(C)CO1 ZINC000639451119 356236026 /nfs/dbraw/zinc/23/60/26/356236026.db2.gz BNBABCZERMERDF-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1ccccn1 ZINC000639448430 356228636 /nfs/dbraw/zinc/22/86/36/356228636.db2.gz QBBNTJKIXDCRSH-NSHDSACASA-N 0 1 235.331 2.141 20 0 BEADMN CCN(CC(=O)N[C@H]1CCC(C)(C)C1)C1CC1 ZINC000352137652 134081610 /nfs/dbraw/zinc/08/16/10/134081610.db2.gz PBXVASLINSOXBH-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCC(C)(C)C1)C1CC1 ZINC000352137651 134081629 /nfs/dbraw/zinc/08/16/29/134081629.db2.gz PBXVASLINSOXBH-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000617643208 356258794 /nfs/dbraw/zinc/25/87/94/356258794.db2.gz OUYWXXRNUQELDO-WDEREUQCSA-N 0 1 237.347 2.141 20 0 BEADMN CC(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000639458132 356243554 /nfs/dbraw/zinc/24/35/54/356243554.db2.gz SDWHGFBMZIWRAD-CQSZACIVSA-N 0 1 235.302 2.422 20 0 BEADMN C[C@H]1CCCN(CC(=O)Nc2ccccn2)CC1 ZINC000639461737 356244688 /nfs/dbraw/zinc/24/46/88/356244688.db2.gz HASDTNAEWRZFBT-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN CN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCC1 ZINC000639461243 356245482 /nfs/dbraw/zinc/24/54/82/356245482.db2.gz RHXAEQSWUNNKAI-UHFFFAOYSA-N 0 1 243.257 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccccn1 ZINC000639481291 356296002 /nfs/dbraw/zinc/29/60/02/356296002.db2.gz BOVUORGJWHJFIK-TXEJJXNPSA-N 0 1 247.342 2.283 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1CC(=O)Nc1ccccn1 ZINC000639481292 356296523 /nfs/dbraw/zinc/29/65/23/356296523.db2.gz BOVUORGJWHJFIK-VXGBXAGGSA-N 0 1 247.342 2.283 20 0 BEADMN Cc1cc(C(=O)N(C)C2(C)CCCC2)n[nH]1 ZINC000336118639 134089699 /nfs/dbraw/zinc/08/96/99/134089699.db2.gz CJNRUGQMPHYDNK-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN COc1cccc(SCc2c[nH]nn2)c1 ZINC000352159707 134090020 /nfs/dbraw/zinc/09/00/20/134090020.db2.gz ASBOJVCBMPFTAY-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccccn2)[C@H]1C ZINC000639494220 356318467 /nfs/dbraw/zinc/31/84/67/356318467.db2.gz AZTXQMPDWRHGNM-NEPJUHHUSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@@H](N(C)CC(=O)Nc1ccccn1)C1(C)CC1 ZINC000639511559 356346853 /nfs/dbraw/zinc/34/68/53/356346853.db2.gz GEQLXXVONIJHRG-LLVKDONJSA-N 0 1 247.342 2.141 20 0 BEADMN CC[C@]1(C)CCN(CC(=O)Nc2ccccn2)C1 ZINC000639516374 356354849 /nfs/dbraw/zinc/35/48/49/356354849.db2.gz SCHCQJJSFSRBKL-CQSZACIVSA-N 0 1 247.342 2.142 20 0 BEADMN C[C@H]1CC[S@](=O)CCN1CCC1CCCC1 ZINC000336131713 134094412 /nfs/dbraw/zinc/09/44/12/134094412.db2.gz RIXVNSFBOYJOPL-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN CCC1(CC)[C@H](N(C)CC(C)=O)C[C@@H]1OC ZINC000639540184 356393107 /nfs/dbraw/zinc/39/31/07/356393107.db2.gz GPLQRODHZAOTNM-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN CC1(C)CCN(Cc2cn3cccnc3n2)CC1 ZINC000336434020 356369613 /nfs/dbraw/zinc/36/96/13/356369613.db2.gz SWBGGWUZLHFPCG-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN CC1=CCCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000336148086 134103288 /nfs/dbraw/zinc/10/32/88/134103288.db2.gz XYJLSGHTSPWUAD-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(CC(F)(F)CC)C[C@H]1C ZINC000639546273 356408298 /nfs/dbraw/zinc/40/82/98/356408298.db2.gz DUFGSLZPTUWGLK-SNVBAGLBSA-N 0 1 220.307 2.058 20 0 BEADMN O=C([C@H]1CC=CCC1)N1CCN(C2CCC2)CC1 ZINC000336154596 134105293 /nfs/dbraw/zinc/10/52/93/134105293.db2.gz ZFNOQANGNKGUSZ-ZDUSSCGKSA-N 0 1 248.370 2.039 20 0 BEADMN c1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n[nH]1 ZINC000336159962 134107785 /nfs/dbraw/zinc/10/77/85/134107785.db2.gz KTZQBUOPBSDWQF-KCXRBIIJSA-N 0 1 231.343 2.420 20 0 BEADMN CCC(F)(F)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000639557818 356462231 /nfs/dbraw/zinc/46/22/31/356462231.db2.gz QMCHKSPVFPQYGI-UWVGGRQHSA-N 0 1 220.307 2.056 20 0 BEADMN CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)[O-])s1 ZINC000237049935 363464983 /nfs/dbraw/zinc/46/49/83/363464983.db2.gz XBCKKUNPPURBBC-QMMMGPOBSA-N 0 1 242.344 2.091 20 0 BEADMN CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)[O-])s1 ZINC000237049935 363464984 /nfs/dbraw/zinc/46/49/84/363464984.db2.gz XBCKKUNPPURBBC-QMMMGPOBSA-N 0 1 242.344 2.091 20 0 BEADMN c1c[nH]c(CNc2cc3c(cn2)CCCC3)n1 ZINC000580386204 356442520 /nfs/dbraw/zinc/44/25/20/356442520.db2.gz MTJOPDNVVTWGNU-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN Cc1nc(CN2CCC3(CCOC3)CC2)[nH]c1C ZINC000639552138 356443316 /nfs/dbraw/zinc/44/33/16/356443316.db2.gz RXLWDLRRGISWMN-UHFFFAOYSA-N 0 1 249.358 2.029 20 0 BEADMN CC(=O)CN[C@H](C)c1ccccc1-n1cccn1 ZINC000639564468 356480378 /nfs/dbraw/zinc/48/03/78/356480378.db2.gz GJLOYJAPCLRHCB-GFCCVEGCSA-N 0 1 243.310 2.112 20 0 BEADMN CC(=O)CNC(C)(C)c1cccc(F)c1 ZINC000639565053 356482209 /nfs/dbraw/zinc/48/22/09/356482209.db2.gz GCUURXSMEAARGN-UHFFFAOYSA-N 0 1 209.264 2.239 20 0 BEADMN CC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000639567493 356488051 /nfs/dbraw/zinc/48/80/51/356488051.db2.gz RLTHBNANFJOBHV-HIFRSBDPSA-N 0 1 247.338 2.333 20 0 BEADMN CCc1nc([C@@H](C)NC[C@H]2C[C@@H](O)C2)cs1 ZINC000420921365 192272817 /nfs/dbraw/zinc/27/28/17/192272817.db2.gz LFQKOXKCSBQFRS-BBBLOLIVSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000639570337 356495082 /nfs/dbraw/zinc/49/50/82/356495082.db2.gz CAHONEXDVVEJRP-RHYQMDGZSA-N 0 1 215.312 2.091 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C[C@H]1F ZINC000639571204 356495432 /nfs/dbraw/zinc/49/54/32/356495432.db2.gz HBWGMTNCTWGFJU-IJLUTSLNSA-N 0 1 229.339 2.481 20 0 BEADMN CC(C)[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639572019 356496171 /nfs/dbraw/zinc/49/61/71/356496171.db2.gz MTNRMPQCBXBNIQ-STQMWFEESA-N 0 1 241.375 2.158 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC(C)(C)C2)[nH]1 ZINC000336169857 134114548 /nfs/dbraw/zinc/11/45/48/134114548.db2.gz DFFSDJRSTSLDOQ-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC(C)(C)C2)n1 ZINC000336169857 134114549 /nfs/dbraw/zinc/11/45/49/134114549.db2.gz DFFSDJRSTSLDOQ-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CC[C@H](NCc1cc[nH]c(=O)c1)c1nccs1 ZINC000639579118 356499919 /nfs/dbraw/zinc/49/99/19/356499919.db2.gz HATJMZDMMYYGPF-JTQLQIEISA-N 0 1 249.339 2.485 20 0 BEADMN CC[C@@H](NCc1cc[nH]c(=O)c1)c1nccs1 ZINC000639579119 356499954 /nfs/dbraw/zinc/49/99/54/356499954.db2.gz HATJMZDMMYYGPF-SNVBAGLBSA-N 0 1 249.339 2.485 20 0 BEADMN Cc1nnc(CN2CCCCC(C)(C)C2)n1C ZINC000336180310 134119596 /nfs/dbraw/zinc/11/95/96/134119596.db2.gz IQNCQCWEHBRPKM-UHFFFAOYSA-N 0 1 236.363 2.136 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@@H](C)[C@@H](C)O1 ZINC000639603323 356523912 /nfs/dbraw/zinc/52/39/12/356523912.db2.gz NSKWXBXMVGIDQA-XQHKEYJVSA-N 0 1 241.375 2.299 20 0 BEADMN Cc1cc(CN(C)C(=O)c2cnc[nH]2)ccc1F ZINC000336178077 134117308 /nfs/dbraw/zinc/11/73/08/134117308.db2.gz ZNJCGRVNSCJTTJ-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N(C)C1CC(O)C1 ZINC000336179231 134117960 /nfs/dbraw/zinc/11/79/60/134117960.db2.gz PRPZZWABDAHXFI-WHXUTIOJSA-N 0 1 246.310 2.344 20 0 BEADMN CN(Cc1nc2ccccc2o1)C[C@H]1C[C@@H](O)C1 ZINC000420944064 192274285 /nfs/dbraw/zinc/27/42/85/192274285.db2.gz XQZNNVCNDXOENS-PHIMTYICSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(Cc2cnns2)C1 ZINC000336193217 134124531 /nfs/dbraw/zinc/12/45/31/134124531.db2.gz KJOCIFXIAFMZOS-NXEZZACHSA-N 0 1 225.361 2.406 20 0 BEADMN C[C@H]1OCCN(CC2CC(F)(F)C2)[C@@H]1C ZINC000336195968 134125793 /nfs/dbraw/zinc/12/57/93/134125793.db2.gz HTHMYQHYRXFENE-RKDXNWHRSA-N 0 1 219.275 2.141 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCC[C@H]1CCO ZINC000639633494 356547812 /nfs/dbraw/zinc/54/78/12/356547812.db2.gz LMNMQFBUHQQGNA-VHSXEESVSA-N 0 1 221.291 2.172 20 0 BEADMN C[C@H]1CN(CC2CC(F)(F)C2)[C@@H](C)CO1 ZINC000336196253 134126035 /nfs/dbraw/zinc/12/60/35/134126035.db2.gz KAEIYAIVHGUHBF-IUCAKERBSA-N 0 1 219.275 2.141 20 0 BEADMN C[C@@H]1CN(CC2CC(F)(F)C2)[C@H](C)CO1 ZINC000336196254 134126307 /nfs/dbraw/zinc/12/63/07/134126307.db2.gz KAEIYAIVHGUHBF-RKDXNWHRSA-N 0 1 219.275 2.141 20 0 BEADMN C[N@H+]1CCN(CC2CC(F)(F)C2)C(C)(C)C1 ZINC000336197205 134126707 /nfs/dbraw/zinc/12/67/07/134126707.db2.gz IOUPWPGTDGXUJW-UHFFFAOYSA-N 0 1 232.318 2.058 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014178 192302488 /nfs/dbraw/zinc/30/24/88/192302488.db2.gz KDTDKMFYELNHNF-VXGBXAGGSA-N 0 1 217.328 2.219 20 0 BEADMN CC[N@H+]1C[C@H](C)N(CC2CC(F)(F)C2)C[C@@H]1C ZINC000336197568 134126974 /nfs/dbraw/zinc/12/69/74/134126974.db2.gz WICGLJGLQQYSAP-QWRGUYRKSA-N 0 1 246.345 2.446 20 0 BEADMN CCN1CCN(CC(F)(F)CC)[C@@H](C)C1 ZINC000639642303 356555514 /nfs/dbraw/zinc/55/55/14/356555514.db2.gz QHZULLOEZAEGHC-JTQLQIEISA-N 0 1 220.307 2.058 20 0 BEADMN NC(=O)[C@@H]1CCCN1Cc1cccc(C2CC2)c1 ZINC000421332095 192317973 /nfs/dbraw/zinc/31/79/73/192317973.db2.gz UNMFRNCGXJSYBM-AWEZNQCLSA-N 0 1 244.338 2.014 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1cccc2ccoc21 ZINC000336213376 134135730 /nfs/dbraw/zinc/13/57/30/134135730.db2.gz PAYQNNSTACMIQA-STQMWFEESA-N 0 1 249.285 2.338 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@@H](C)C2CC2)n[nH]1 ZINC000642350715 363487470 /nfs/dbraw/zinc/48/74/70/363487470.db2.gz BPQMTVUMOGDXPW-VIFPVBQESA-N 0 1 235.331 2.233 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccsc2Cl)C1 ZINC000336210518 134134072 /nfs/dbraw/zinc/13/40/72/134134072.db2.gz XPYZOFLVMMRDFS-OCAPTIKFSA-N 0 1 217.721 2.014 20 0 BEADMN NC(=O)[C@H]1CCCN1Cc1cccc(C2CC2)c1 ZINC000421332097 192317374 /nfs/dbraw/zinc/31/73/74/192317374.db2.gz UNMFRNCGXJSYBM-CQSZACIVSA-N 0 1 244.338 2.014 20 0 BEADMN CCC[C@@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176716427 535321240 /nfs/dbraw/zinc/32/12/40/535321240.db2.gz CHHGGMFOFGAWQH-MRVPVSSYSA-N 0 1 232.287 2.333 20 0 BEADMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CCCCCF ZINC000639688276 356597555 /nfs/dbraw/zinc/59/75/55/356597555.db2.gz FYNBETMXXMMKLQ-GRYCIOLGSA-N 0 1 244.354 2.066 20 0 BEADMN c1nc2c(ncnc2N2CCCCCCC2)[nH]1 ZINC000039264905 356606471 /nfs/dbraw/zinc/60/64/71/356606471.db2.gz JWBSZSYDDOAWNG-UHFFFAOYSA-N 0 1 231.303 2.123 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)NCCN1CCC1 ZINC000450199494 202094469 /nfs/dbraw/zinc/09/44/69/202094469.db2.gz FNLWZXMDYZSQPS-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN CC(=O)CN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000639723355 356619321 /nfs/dbraw/zinc/61/93/21/356619321.db2.gz ICBGJPSDWMCZOI-SNVBAGLBSA-N 0 1 235.302 2.376 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639719500 356620630 /nfs/dbraw/zinc/62/06/30/356620630.db2.gz IBVKWTIGAPFWJJ-SSDOTTSWSA-N 0 1 245.273 2.465 20 0 BEADMN CC(C)CCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000450239429 202101496 /nfs/dbraw/zinc/10/14/96/202101496.db2.gz DRAKWQVXZZBDDW-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCN(CC)Cc1cn(CC2CC2)nn1 ZINC000450220539 202101966 /nfs/dbraw/zinc/10/19/66/202101966.db2.gz IWSBXWHATWKYGF-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN FC1(F)CCC[C@H]1NCC[C@@H]1CCOC1 ZINC000380176829 538465779 /nfs/dbraw/zinc/46/57/79/538465779.db2.gz KFBVKOVKXCZSGB-NXEZZACHSA-N 0 1 219.275 2.190 20 0 BEADMN CCN(CC)Cc1ccn(CC(F)(F)F)n1 ZINC000450244246 202105530 /nfs/dbraw/zinc/10/55/30/202105530.db2.gz OXADJUSWOHSXNG-UHFFFAOYSA-N 0 1 235.253 2.287 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1cccc2nc[nH]c21 ZINC001640993998 1172210060 /nfs/dbraw/zinc/21/00/60/1172210060.db2.gz IHEYIPVTTFEDNS-VIFPVBQESA-N 0 1 227.267 2.011 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cn(CC3CC3)nn2)C1 ZINC000450248640 202109219 /nfs/dbraw/zinc/10/92/19/202109219.db2.gz YAVYCWMGLQKUFE-RYUDHWBXSA-N 0 1 248.374 2.166 20 0 BEADMN C[C@H](NC[C@@H]1CCSC1)C(C)(F)F ZINC000389463952 356680946 /nfs/dbraw/zinc/68/09/46/356680946.db2.gz GVHWPRFBGAUBHO-YUMQZZPRSA-N 0 1 209.305 2.373 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450393714 202152094 /nfs/dbraw/zinc/15/20/94/202152094.db2.gz PHOUMTIHYSLLHQ-VXGBXAGGSA-N 0 1 248.374 2.451 20 0 BEADMN Cc1ccncc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776438 356718230 /nfs/dbraw/zinc/71/82/30/356718230.db2.gz ANVZJJOKPOGBMX-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639777330 356721467 /nfs/dbraw/zinc/72/14/67/356721467.db2.gz KKYMPPXGHMXSFR-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cccnc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639779151 356726213 /nfs/dbraw/zinc/72/62/13/356726213.db2.gz YHRVNGMHFJQIOP-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)nc1 ZINC000639778931 356726702 /nfs/dbraw/zinc/72/67/02/356726702.db2.gz VVKQWPWNBKYOJN-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccc(CN2CCC[C@H]2c2cn[nH]c2)nc1 ZINC000639778929 356727371 /nfs/dbraw/zinc/72/73/71/356727371.db2.gz VVKQWPWNBKYOJN-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC1CCCC1 ZINC000354271903 356733462 /nfs/dbraw/zinc/73/34/62/356733462.db2.gz NCXITYODGSKYKY-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1nc(CN(C)Cc2cccc(C)c2)n[nH]1 ZINC000354843184 356745291 /nfs/dbraw/zinc/74/52/91/356745291.db2.gz VFXUZCHHYJNXRJ-UHFFFAOYSA-N 0 1 244.342 2.308 20 0 BEADMN CCCC[C@H](CC)CN1CCN(CC)C(=O)C1 ZINC000355005451 356747379 /nfs/dbraw/zinc/74/73/79/356747379.db2.gz HNXCDPZTXCYIGZ-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450487486 202183463 /nfs/dbraw/zinc/18/34/63/202183463.db2.gz VBCVVXNPPNEQTH-PHIMTYICSA-N 0 1 234.347 2.061 20 0 BEADMN CO[C@@H]1CN(C[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000639836793 356823788 /nfs/dbraw/zinc/82/37/88/356823788.db2.gz JNIOWONYGBEDMP-AGIUHOORSA-N 0 1 227.348 2.117 20 0 BEADMN CCC(C)(C)CCN1CCO[C@@H](OC)C1 ZINC000639835781 356826609 /nfs/dbraw/zinc/82/66/09/356826609.db2.gz CPKAUFFAZZUXOZ-LLVKDONJSA-N 0 1 215.337 2.117 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)[C@H]1CCCN1C ZINC000357350121 356827918 /nfs/dbraw/zinc/82/79/18/356827918.db2.gz VDYIZFUCJQEWBT-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCN1C ZINC000357350122 356827940 /nfs/dbraw/zinc/82/79/40/356827940.db2.gz VDYIZFUCJQEWBT-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000654713901 538697130 /nfs/dbraw/zinc/69/71/30/538697130.db2.gz XKCWYFJMEHMHSJ-WOPDTQHZSA-N 0 1 249.358 2.378 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC(C(C)(C)C)C1 ZINC000655140927 538729108 /nfs/dbraw/zinc/72/91/08/538729108.db2.gz AJQIPPNQQXYVIX-SNVBAGLBSA-N 0 1 249.358 2.093 20 0 BEADMN COc1cccc(C2(NCC(C)=O)CCC2)c1 ZINC000639863885 356874023 /nfs/dbraw/zinc/87/40/23/356874023.db2.gz POXNEKUSNRQNPL-UHFFFAOYSA-N 0 1 233.311 2.253 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ncc[nH]1 ZINC000309553404 491104061 /nfs/dbraw/zinc/10/40/61/491104061.db2.gz IYQVGDPWZOADCO-UWVGGRQHSA-N 0 1 223.320 2.018 20 0 BEADMN C[C@H](NCC1(C(F)(F)F)CC1)c1ncc[nH]1 ZINC000309561384 491104141 /nfs/dbraw/zinc/10/41/41/491104141.db2.gz LEIGPRGGQYUHFR-ZETCQYMHSA-N 0 1 233.237 2.403 20 0 BEADMN CC(C)CCC1CCN(Cc2c[nH]nn2)CC1 ZINC000450492874 202185910 /nfs/dbraw/zinc/18/59/10/202185910.db2.gz XNVXMVQFBQWUQJ-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCN(Cc1sccc1OC)[C@@H]1CCOC1 ZINC000361248633 356921574 /nfs/dbraw/zinc/92/15/74/356921574.db2.gz CGCVTXZKRYLHAX-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN CCN(Cc1sccc1OC)[C@H]1CCOC1 ZINC000361248630 356922244 /nfs/dbraw/zinc/92/22/44/356922244.db2.gz CGCVTXZKRYLHAX-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN C[C@@H](N[C@H](CO)CC1CCCC1)c1ncc[nH]1 ZINC000353594575 538751048 /nfs/dbraw/zinc/75/10/48/538751048.db2.gz NAACSRAGXRHICC-PWSUYJOCSA-N 0 1 237.347 2.002 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H](C)C(C)(C)C ZINC000399563593 356979486 /nfs/dbraw/zinc/97/94/86/356979486.db2.gz HNSCVQDZCFLVHA-ZJUUUORDSA-N 0 1 215.337 2.162 20 0 BEADMN COCC1(N[C@H](C)c2ccc(C)o2)CC1 ZINC000389844493 357053611 /nfs/dbraw/zinc/05/36/11/357053611.db2.gz MGBMHIMROCVTJZ-SNVBAGLBSA-N 0 1 209.289 2.418 20 0 BEADMN CC[C@@H](C)[C@@H](C)NCc1nnc(C2CC2)o1 ZINC000390668633 357110084 /nfs/dbraw/zinc/11/00/84/357110084.db2.gz UXKQFYZJNZHGJY-RKDXNWHRSA-N 0 1 223.320 2.471 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000390241727 357086987 /nfs/dbraw/zinc/08/69/87/357086987.db2.gz HWVYJAMVOBZZMY-DGCLKSJQSA-N 0 1 223.316 2.282 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(F)cc(F)c1 ZINC000390521069 357100336 /nfs/dbraw/zinc/10/03/36/357100336.db2.gz FKGWUGWICMBQBY-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1ncn(C)n1 ZINC000391917729 357137188 /nfs/dbraw/zinc/13/71/88/357137188.db2.gz DKNMINYAYCUWCL-OUAUKWLOSA-N 0 1 236.363 2.290 20 0 BEADMN c1nc(CN[C@H](C2CCC2)[C@H]2CCCO2)co1 ZINC000631256126 357124426 /nfs/dbraw/zinc/12/44/26/357124426.db2.gz SRCRRAROWMDTER-CHWSQXEVSA-N 0 1 236.315 2.112 20 0 BEADMN Cc1cncc(CNCc2ccnc(C)c2)c1 ZINC000391172943 357125519 /nfs/dbraw/zinc/12/55/19/357125519.db2.gz MBUSNICHVALFRI-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCCn1cc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000631259694 357235792 /nfs/dbraw/zinc/23/57/92/357235792.db2.gz AZLQMHCMFSQFLC-NXEZZACHSA-N 0 1 247.264 2.334 20 0 BEADMN CCC(C)(C)N(C)Cc1cn(C(C)C)nn1 ZINC000347827465 535355762 /nfs/dbraw/zinc/35/57/62/535355762.db2.gz YLVDRYJVVBUCTI-UHFFFAOYSA-N 0 1 224.352 2.479 20 0 BEADMN CC1(C)CN(Cc2ccc(F)nc2)CCCO1 ZINC000375300164 357177257 /nfs/dbraw/zinc/17/72/57/357177257.db2.gz WCGPEHFDLNSLMU-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN COCC(C)(C)CN1Cc2ccc(O)cc2C1 ZINC000628419006 357238840 /nfs/dbraw/zinc/23/88/40/357238840.db2.gz ISNBCIDMRNRZQF-UHFFFAOYSA-N 0 1 235.327 2.380 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC1(C)CCC1 ZINC000393737840 357294456 /nfs/dbraw/zinc/29/44/56/357294456.db2.gz YUEFEVZHIMNWMJ-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000357146626 538825668 /nfs/dbraw/zinc/82/56/68/538825668.db2.gz ZBZQUQNLBWYAID-WOPDTQHZSA-N 0 1 249.358 2.235 20 0 BEADMN COC[C@H](N[C@@H](C)c1cc(C)on1)C(C)C ZINC000393769653 357297769 /nfs/dbraw/zinc/29/77/69/357297769.db2.gz GFFWGUHGBLOIQP-JQWIXIFHSA-N 0 1 226.320 2.305 20 0 BEADMN Nc1ncc(CN2CCCC(F)(F)CC2)s1 ZINC000628422351 357243124 /nfs/dbraw/zinc/24/31/24/357243124.db2.gz YPUCIMLTQOSAQS-UHFFFAOYSA-N 0 1 247.314 2.177 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)nc1 ZINC000631261494 357252188 /nfs/dbraw/zinc/25/21/88/357252188.db2.gz XXZUMPUDOPUSDH-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN CC/C=C/CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000583698467 357272511 /nfs/dbraw/zinc/27/25/11/357272511.db2.gz BEANTJCUVCJOLV-UFFNRZRYSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000393234995 357279636 /nfs/dbraw/zinc/27/96/36/357279636.db2.gz ZHUQTJBQEZLRBA-MRVPVSSYSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)[C@H]1C ZINC000639902990 357327900 /nfs/dbraw/zinc/32/79/00/357327900.db2.gz MFLMHTSRNMTJBV-BQBZGAKWSA-N 0 1 243.257 2.218 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000216574334 357329344 /nfs/dbraw/zinc/32/93/44/357329344.db2.gz HFUHWASFEFXIDE-SNVBAGLBSA-N 0 1 239.340 2.360 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(F)(F)F ZINC000397111229 357506249 /nfs/dbraw/zinc/50/62/49/357506249.db2.gz RRDVSLXVCWIXDE-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000582971352 357447830 /nfs/dbraw/zinc/44/78/30/357447830.db2.gz YEFOZPXJVBUOBJ-JQWIXIFHSA-N 0 1 231.311 2.167 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](CC(C)C)OC ZINC000582970750 357448391 /nfs/dbraw/zinc/44/83/91/357448391.db2.gz QZDFAGWOIMJMRR-RYUDHWBXSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@@H](Cn1c(C)nc2c1CCCC2)OC ZINC000396999053 357489157 /nfs/dbraw/zinc/48/91/57/357489157.db2.gz DKHVTNMIWBINLX-NSHDSACASA-N 0 1 222.332 2.495 20 0 BEADMN CCN(Cc1ccccn1)C[C@H]1CC[C@H](C)O1 ZINC000188562367 357562994 /nfs/dbraw/zinc/56/29/94/357562994.db2.gz HEUDUNCIGSUHLJ-GXTWGEPZSA-N 0 1 234.343 2.471 20 0 BEADMN CCc1cnc(CN[C@@H](CO)CC(C)C)s1 ZINC000390455696 538866485 /nfs/dbraw/zinc/86/64/85/538866485.db2.gz CQQJFOYEQAHGBU-SNVBAGLBSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)CCN1 ZINC000189016309 357601001 /nfs/dbraw/zinc/60/10/01/357601001.db2.gz HBKBKMVHHLJQJU-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nnc(SC[C@H]2CC[C@@H](C)O2)[nH]1 ZINC000189999375 357679538 /nfs/dbraw/zinc/67/95/38/357679538.db2.gz HHRXHWGPDQFXNM-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CC[C@@H](C)O2)n1 ZINC000189999375 357679543 /nfs/dbraw/zinc/67/95/43/357679543.db2.gz HHRXHWGPDQFXNM-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CCCN1CCCN([C@H]2C=CCCC2)CC1=O ZINC000189367482 357634755 /nfs/dbraw/zinc/63/47/55/357634755.db2.gz BVXGEQUNCFSVPH-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1(C)CCCCC1 ZINC000231979913 357638536 /nfs/dbraw/zinc/63/85/36/357638536.db2.gz NKGFYXISGRREHR-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CCCN(C)CC(=O)N1CCCc2ccccc21 ZINC000063761923 357716955 /nfs/dbraw/zinc/71/69/55/357716955.db2.gz CNDYUWMBYWHAQK-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(F)ccc1F ZINC000063761901 357717537 /nfs/dbraw/zinc/71/75/37/357717537.db2.gz WUELADHZTRXDAU-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN CC(C)n1ccc(CN[C@]2(C)CCO[C@@H]2C)n1 ZINC000232800766 357685108 /nfs/dbraw/zinc/68/51/08/357685108.db2.gz PGCFKFVDJZUDFF-DGCLKSJQSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)n1ccc(CN[C@]2(C)CCO[C@H]2C)n1 ZINC000232800808 357685459 /nfs/dbraw/zinc/68/54/59/357685459.db2.gz PGCFKFVDJZUDFF-WCQYABFASA-N 0 1 237.347 2.121 20 0 BEADMN CCCN(C[C@@H](C)OC)[C@@H](CC)C(=O)OCC ZINC000190360477 357703496 /nfs/dbraw/zinc/70/34/96/357703496.db2.gz RUDDDBOPZFYSHX-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@H]1CN(C[C@@H]2CC[C@H](C)O2)CCO1 ZINC000190978899 357735652 /nfs/dbraw/zinc/73/56/52/357735652.db2.gz FTMBEVDAQDGOPQ-AVGNSLFASA-N 0 1 227.348 2.055 20 0 BEADMN CN(Cc1cn(C(C)(C)C)nn1)CC1CCC1 ZINC000191153587 357755657 /nfs/dbraw/zinc/75/56/57/357755657.db2.gz MRAYKFFBDIWVFV-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN CC[C@@H](C)N(C)Cc1cn(C(C)(C)C)nn1 ZINC000191233449 357758576 /nfs/dbraw/zinc/75/85/76/357758576.db2.gz RIVASYUECTYUQI-SNVBAGLBSA-N 0 1 224.352 2.263 20 0 BEADMN CCCC[C@@H](CC)NCc1nc(N(C)C)no1 ZINC000191895253 357803068 /nfs/dbraw/zinc/80/30/68/357803068.db2.gz WGSWFJRNLFXPCX-SNVBAGLBSA-N 0 1 240.351 2.194 20 0 BEADMN CCOCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000583271988 357780509 /nfs/dbraw/zinc/78/05/09/357780509.db2.gz WKIUKQXXSABOBT-CYBMUJFWSA-N 0 1 234.343 2.216 20 0 BEADMN O=C1O[C@H](C[N@H+]2CCCC3(CC3)C2)CC12CCC2 ZINC000192193553 357825917 /nfs/dbraw/zinc/82/59/17/357825917.db2.gz ADFNZZXBKNFVOS-LBPRGKRZSA-N 0 1 249.354 2.348 20 0 BEADMN COC(=O)[C@H](C)N(CCCSC)C1CCC1 ZINC000192386018 357830794 /nfs/dbraw/zinc/83/07/94/357830794.db2.gz NDAZNHAAEJJCJQ-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639926232 357839025 /nfs/dbraw/zinc/83/90/25/357839025.db2.gz JVMBFXQJIXXMQE-ZYHUDNBSSA-N 0 1 223.316 2.433 20 0 BEADMN CCN(Cc1ncnn1CC)[C@H](C)C(C)C ZINC000193319327 357876418 /nfs/dbraw/zinc/87/64/18/357876418.db2.gz IJOATSNXXTVFSZ-LLVKDONJSA-N 0 1 224.352 2.164 20 0 BEADMN C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930661 357910684 /nfs/dbraw/zinc/91/06/84/357910684.db2.gz YZWAAGCQFWFACB-KOLCDFICSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930661 357910688 /nfs/dbraw/zinc/91/06/88/357910688.db2.gz YZWAAGCQFWFACB-KOLCDFICSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930666 357910914 /nfs/dbraw/zinc/91/09/14/357910914.db2.gz YZWAAGCQFWFACB-ONGXEEELSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@H](O)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639930666 357910917 /nfs/dbraw/zinc/91/09/17/357910917.db2.gz YZWAAGCQFWFACB-ONGXEEELSA-N 0 1 209.289 2.043 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccccn1 ZINC000020453952 357933843 /nfs/dbraw/zinc/93/38/43/357933843.db2.gz QPOYPHZVTUMAPC-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Fc1ccc(C=CCNCc2cc[nH]n2)cc1F ZINC000584450342 357962954 /nfs/dbraw/zinc/96/29/54/357962954.db2.gz ZVPKJVUBWZKUEZ-UPHRSURJSA-N 0 1 249.264 2.491 20 0 BEADMN CCOC(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000055505464 363593784 /nfs/dbraw/zinc/59/37/84/363593784.db2.gz MEUUJTSKFWYBBA-CQSZACIVSA-N 0 1 247.338 2.257 20 0 BEADMN CCC[N@@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC000035732066 357998590 /nfs/dbraw/zinc/99/85/90/357998590.db2.gz JPQCUWJNKPBTQZ-UHFFFAOYSA-N 0 1 237.299 2.105 20 0 BEADMN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nnc(C)[nH]2)C1(C)C ZINC000103255108 358033126 /nfs/dbraw/zinc/03/31/26/358033126.db2.gz DRICUEPFYYWESG-NXEZZACHSA-N 0 1 248.330 2.290 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000584525725 358033386 /nfs/dbraw/zinc/03/33/86/358033386.db2.gz BEFIMQXWOVHJFT-GMSGAONNSA-N 0 1 247.273 2.230 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCOC(C)(C)C ZINC000610681886 358077088 /nfs/dbraw/zinc/07/70/88/358077088.db2.gz RBEFSPGCQYTWER-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000037504800 358078293 /nfs/dbraw/zinc/07/82/93/358078293.db2.gz NTJMBKYSWJWJDY-VIFPVBQESA-N 0 1 225.288 2.454 20 0 BEADMN C[C@@H]1CCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000037911372 358097529 /nfs/dbraw/zinc/09/75/29/358097529.db2.gz YZTZTXGECKQSSA-LLVKDONJSA-N 0 1 249.310 2.248 20 0 BEADMN C[N@H+](Cc1ccccc1C(=O)[O-])CC1CC1 ZINC000037925806 358098231 /nfs/dbraw/zinc/09/82/31/358098231.db2.gz KOYLASXBDXVRPD-UHFFFAOYSA-N 0 1 219.284 2.227 20 0 BEADMN O=C1CCN(CC[C@@H]2CCCO2)C2(CCC2)C1 ZINC000584663001 358122359 /nfs/dbraw/zinc/12/23/59/358122359.db2.gz QSZSLXXCWBJUKH-ZDUSSCGKSA-N 0 1 237.343 2.143 20 0 BEADMN CC1(F)CCN(CCn2cc(Cl)cn2)CC1 ZINC000640071243 358157420 /nfs/dbraw/zinc/15/74/20/358157420.db2.gz GXGNRIJEJCVEDL-UHFFFAOYSA-N 0 1 245.729 2.361 20 0 BEADMN CCc1nc([C@H](C)N2CCC(C)(F)CC2)n[nH]1 ZINC000640071928 358161179 /nfs/dbraw/zinc/16/11/79/358161179.db2.gz BKCAAHSASPRJIJ-VIFPVBQESA-N 0 1 240.326 2.252 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000584724647 358166574 /nfs/dbraw/zinc/16/65/74/358166574.db2.gz GTKSFJOLGHEFAS-UMNHJUIQSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H](N[C@H](C)c1cn[nH]c1)c1ccoc1 ZINC000222491344 358174302 /nfs/dbraw/zinc/17/43/02/358174302.db2.gz TYZLKXDDXGNIEZ-RKDXNWHRSA-N 0 1 205.261 2.415 20 0 BEADMN Cc1cnc(NCc2n[nH]c(C3CC3)n2)s1 ZINC000450630757 202218239 /nfs/dbraw/zinc/21/82/39/202218239.db2.gz YFSQUSJTAVNQEY-UHFFFAOYSA-N 0 1 235.316 2.059 20 0 BEADMN C[N@@H+](CCSC1CCCCC1)CC(=O)[O-] ZINC000584844806 358200760 /nfs/dbraw/zinc/20/07/60/358200760.db2.gz JXOPBOPOERAKBH-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CCc1cc(NC(=O)c2cc(Cl)no2)no1 ZINC001641305693 1172241563 /nfs/dbraw/zinc/24/15/63/1172241563.db2.gz CQKKUXKBWNZVAU-UHFFFAOYSA-N 0 1 241.634 2.131 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000104616946 358248522 /nfs/dbraw/zinc/24/85/22/358248522.db2.gz HOYPAZAIEMLVIU-ONGXEEELSA-N 0 1 247.342 2.207 20 0 BEADMN CCN1C(=O)N=NC1SCC1CC(F)(F)C1 ZINC000450701478 202239291 /nfs/dbraw/zinc/23/92/91/202239291.db2.gz GUFANSXEPTZGEN-UHFFFAOYSA-N 0 1 249.286 2.141 20 0 BEADMN CC(C)(C)CCCNC(=O)c1ccc(CN)o1 ZINC000313465209 491125853 /nfs/dbraw/zinc/12/58/53/491125853.db2.gz AVYIHSGUTFSWNB-UHFFFAOYSA-N 0 1 238.331 2.294 20 0 BEADMN C[N@H+](Cc1cnns1)C[C@H]1CC=CCC1 ZINC000450716056 202241451 /nfs/dbraw/zinc/24/14/51/202241451.db2.gz OCOJFSQOAIOVSE-JTQLQIEISA-N 0 1 223.345 2.326 20 0 BEADMN CN(Cc1cnns1)C[C@H]1CC=CCC1 ZINC000450716056 202241455 /nfs/dbraw/zinc/24/14/55/202241455.db2.gz OCOJFSQOAIOVSE-JTQLQIEISA-N 0 1 223.345 2.326 20 0 BEADMN COc1ccnc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000450724067 202247530 /nfs/dbraw/zinc/24/75/30/202247530.db2.gz LDOLVOZMVBZMDI-WDEREUQCSA-N 0 1 235.331 2.154 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NCc1nnc(C)o1 ZINC000163196582 202252685 /nfs/dbraw/zinc/25/26/85/202252685.db2.gz LZHJANPMPBOHLQ-QWRGUYRKSA-N 0 1 223.320 2.436 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C(C)C ZINC000172578177 134268108 /nfs/dbraw/zinc/26/81/08/134268108.db2.gz SXBCLSXCWCBVMW-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000134745239 325375115 /nfs/dbraw/zinc/37/51/15/325375115.db2.gz OOCJUHHEDZSZCL-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172951803 134271044 /nfs/dbraw/zinc/27/10/44/134271044.db2.gz QHXQKURASDNKPM-MXWKQRLJSA-N 0 1 239.359 2.304 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)OC(C)(C)C ZINC000172856384 134270109 /nfs/dbraw/zinc/27/01/09/134270109.db2.gz BKHURSHYJGLSGI-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN COc1cccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000042163799 358341970 /nfs/dbraw/zinc/34/19/70/358341970.db2.gz NPWGFNVHEQVRAH-LBPRGKRZSA-N 0 1 249.310 2.134 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000042436818 358348798 /nfs/dbraw/zinc/34/87/98/358348798.db2.gz DMCOMAXKUWKNRK-SECBINFHSA-N 0 1 225.263 2.121 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000227467538 358357500 /nfs/dbraw/zinc/35/75/00/358357500.db2.gz RQVDCIULUHXPCB-JSGCOSHPSA-N 0 1 245.322 2.265 20 0 BEADMN CCC[C@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831995 358364535 /nfs/dbraw/zinc/36/45/35/358364535.db2.gz BNPXSVPMRHQLKK-JQWIXIFHSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cncc(CNCc2ccncc2C)c1 ZINC000228690396 358383473 /nfs/dbraw/zinc/38/34/73/358383473.db2.gz KCCWRJXWDFOLRH-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC1CC1 ZINC000043594319 358383662 /nfs/dbraw/zinc/38/36/62/358383662.db2.gz FQKJWUATYDLJKC-CYBMUJFWSA-N 0 1 231.295 2.080 20 0 BEADMN CCOC[C@H](C)NCc1cccc(F)c1F ZINC000044723805 358392637 /nfs/dbraw/zinc/39/26/37/358392637.db2.gz IFDFRQPPXFBIPS-VIFPVBQESA-N 0 1 229.270 2.479 20 0 BEADMN C[C@@H](CCO)NCc1c(F)ccc(F)c1Cl ZINC000623426375 358397944 /nfs/dbraw/zinc/39/79/44/358397944.db2.gz LLIUASPWFXYFBH-ZETCQYMHSA-N 0 1 249.688 2.479 20 0 BEADMN Cc1noc([C@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000076111431 491132731 /nfs/dbraw/zinc/13/27/31/491132731.db2.gz JJOOCLOYDDYGDD-YIZRAAEISA-N 0 1 209.293 2.027 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000086270193 358560487 /nfs/dbraw/zinc/56/04/87/358560487.db2.gz SCAITQKBBQKADA-AXFHLTTASA-N 0 1 213.321 2.216 20 0 BEADMN CCN(CC(=O)Nc1ccccc1)C1CC1 ZINC000045770760 358565330 /nfs/dbraw/zinc/56/53/30/358565330.db2.gz PEQFWCNZGSNSHA-UHFFFAOYSA-N 0 1 218.300 2.109 20 0 BEADMN C[C@@H](C(=O)N1CCC(C)CC1)N1[C@H](C)C[C@@H]1C ZINC000547768531 325394292 /nfs/dbraw/zinc/39/42/92/325394292.db2.gz VUVGPEZTFVDGQQ-XQQFMLRXSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1c(F)cccc1NC(=O)c1ncccc1O ZINC000043322367 358536822 /nfs/dbraw/zinc/53/68/22/358536822.db2.gz DOHDUEINWPYMLA-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)C[C@H]1CCCN1Cc1nnnn1C1CC1 ZINC000130253052 358615490 /nfs/dbraw/zinc/61/54/90/358615490.db2.gz KVUXVUQJCXGNPG-GFCCVEGCSA-N 0 1 249.362 2.019 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2CC(C)C)o1 ZINC000130304297 358618790 /nfs/dbraw/zinc/61/87/90/358618790.db2.gz YOZZMTUMULYMEC-LLVKDONJSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nc(CNCCc2ccncc2)cs1 ZINC000048261639 358624062 /nfs/dbraw/zinc/62/40/62/358624062.db2.gz NWVNNVZGUYNXNJ-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN Cc1ccc(NC(=O)c2ncccc2O)cc1O ZINC000132032541 358704258 /nfs/dbraw/zinc/70/42/58/358704258.db2.gz QMVWZDQRSLXLRS-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN OCCN(Cc1cscn1)C1CCCCC1 ZINC000049857376 358704706 /nfs/dbraw/zinc/70/47/06/358704706.db2.gz DBNBYJFWGFPJPF-UHFFFAOYSA-N 0 1 240.372 2.270 20 0 BEADMN CCCN(CC(F)F)C(=O)c1cc(CC)[nH]n1 ZINC000132156422 358708733 /nfs/dbraw/zinc/70/87/33/358708733.db2.gz HMUQLOLSGDZQLU-UHFFFAOYSA-N 0 1 245.273 2.089 20 0 BEADMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccoc1 ZINC000309453418 358708760 /nfs/dbraw/zinc/70/87/60/358708760.db2.gz NAYGAYFPFLLNFN-CBAPKCEASA-N 0 1 237.221 2.244 20 0 BEADMN CC[C@@H](NCCC(F)(F)F)c1nccn1C ZINC000132237703 358713471 /nfs/dbraw/zinc/71/34/71/358713471.db2.gz DZOFXJYDKBPFMA-MRVPVSSYSA-N 0 1 235.253 2.413 20 0 BEADMN CCc1nc(CNCCc2ccncc2)cs1 ZINC000050285626 358721823 /nfs/dbraw/zinc/72/18/23/358721823.db2.gz ADHGMZJLHFQGCJ-UHFFFAOYSA-N 0 1 247.367 2.433 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000050273128 358721996 /nfs/dbraw/zinc/72/19/96/358721996.db2.gz HUTBZBBLRVPYJL-JSGCOSHPSA-N 0 1 247.338 2.428 20 0 BEADMN C[C@@H](NCc1ncc(Cl)s1)C(C)(C)O ZINC000308512596 491136737 /nfs/dbraw/zinc/13/67/37/491136737.db2.gz LLSALMFIPMUUBY-ZCFIWIBFSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000134989857 358815050 /nfs/dbraw/zinc/81/50/50/358815050.db2.gz OYGQIPANNBWEGA-MNOVXSKESA-N 0 1 234.347 2.069 20 0 BEADMN COCCN(C)Cc1cc(C)ccc1OC ZINC000053402913 358822546 /nfs/dbraw/zinc/82/25/46/358822546.db2.gz VUSIEFQMJCUELL-UHFFFAOYSA-N 0 1 223.316 2.082 20 0 BEADMN c1csc(CN2CC[C@H]3OCCC[C@@H]3C2)n1 ZINC000135165584 358823420 /nfs/dbraw/zinc/82/34/20/358823420.db2.gz WPYHSIWLJKVIEE-GHMZBOCLSA-N 0 1 238.356 2.144 20 0 BEADMN C[C@H](CC1CC1)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134345252 358787350 /nfs/dbraw/zinc/78/73/50/358787350.db2.gz VEYLZRGTOPZRIA-MWLCHTKSSA-N 0 1 247.342 2.134 20 0 BEADMN O=C([O-])CCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176928890 134295120 /nfs/dbraw/zinc/29/51/20/134295120.db2.gz ACVBEAAVLBVIQX-WDEREUQCSA-N 0 1 243.372 2.211 20 0 BEADMN COC(=O)[C@@H](N[C@H](C)C1CCCC1)C(C)C ZINC000054078176 358851212 /nfs/dbraw/zinc/85/12/12/358851212.db2.gz RTPNHRZNXABXIK-PWSUYJOCSA-N 0 1 227.348 2.352 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000633204960 358855531 /nfs/dbraw/zinc/85/55/31/358855531.db2.gz UBFKYOBKTDBUDL-ZCFIWIBFSA-N 0 1 247.220 2.053 20 0 BEADMN CCc1nc(CNCCc2ccccn2)cs1 ZINC000054918008 358878392 /nfs/dbraw/zinc/87/83/92/358878392.db2.gz BPAIRSKIRJBTLI-UHFFFAOYSA-N 0 1 247.367 2.433 20 0 BEADMN Cc1ccc2ncc(C[N@@H+](C)CC(=O)[O-])cc2c1 ZINC000578329467 366520384 /nfs/dbraw/zinc/52/03/84/366520384.db2.gz FCSGBTZWLWCFFT-UHFFFAOYSA-N 0 1 244.294 2.060 20 0 BEADMN CCCCOCCN1C[C@@H](C)OC(C)(C)C1 ZINC000065448638 358959964 /nfs/dbraw/zinc/95/99/64/358959964.db2.gz GJSHTGOBWDZYGU-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)N(C)c1ccccc1 ZINC000060575142 358926643 /nfs/dbraw/zinc/92/66/43/358926643.db2.gz NAUAHKCUPVESQX-GFCCVEGCSA-N 0 1 234.343 2.380 20 0 BEADMN CC(C)OC(=O)CCN1CC2(C1)CC(F)(F)C2 ZINC000611179339 358927238 /nfs/dbraw/zinc/92/72/38/358927238.db2.gz ATYQFNUPZJZMGA-UHFFFAOYSA-N 0 1 247.285 2.059 20 0 BEADMN CCCC[C@H](CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000070076368 359039783 /nfs/dbraw/zinc/03/97/83/359039783.db2.gz FDPAVSWTZVVWIA-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(CN[C@@H]2CCO[C@H](C(C)C)C2)no1 ZINC000070360566 359051051 /nfs/dbraw/zinc/05/10/51/359051051.db2.gz HYLYMAKDMJVCOU-YPMHNXCESA-N 0 1 238.331 2.276 20 0 BEADMN N[C@H](C(=O)Nc1ccccc1O)c1ccccc1 ZINC000070216767 359044743 /nfs/dbraw/zinc/04/47/43/359044743.db2.gz JBIGHGFCMOSVBW-ZDUSSCGKSA-N 0 1 242.278 2.031 20 0 BEADMN Cc1ncsc1CCN1C[C@H](C)OC[C@H]1C ZINC000246472157 359111059 /nfs/dbraw/zinc/11/10/59/359111059.db2.gz ZXBWIDGCVQOTNS-ZJUUUORDSA-N 0 1 240.372 2.103 20 0 BEADMN CCC[C@H]1CCCN([C@H](C)C(=O)OC)C1 ZINC000246481414 359116115 /nfs/dbraw/zinc/11/61/15/359116115.db2.gz HPDHWTCIFLUORL-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cnccn1 ZINC000247011751 359184093 /nfs/dbraw/zinc/18/40/93/359184093.db2.gz LGLWFKYUECIZGH-QWHCGFSZSA-N 0 1 248.374 2.002 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000075374037 359143489 /nfs/dbraw/zinc/14/34/89/359143489.db2.gz ZTLPWZPJOOIIFZ-BXKDBHETSA-N 0 1 243.310 2.481 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000246651250 359154989 /nfs/dbraw/zinc/15/49/89/359154989.db2.gz BYAAEJILIVNOSE-TZMCWYRMSA-N 0 1 237.343 2.370 20 0 BEADMN CC[C@@H]1CN(CCc2cccnc2)C[C@@H](C)O1 ZINC000246844307 359169853 /nfs/dbraw/zinc/16/98/53/359169853.db2.gz ZCDQUKCKCOGEDO-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247692210 359240673 /nfs/dbraw/zinc/24/06/73/359240673.db2.gz WBVYDADXZODBKF-YPMHNXCESA-N 0 1 205.301 2.468 20 0 BEADMN CC[C@]1(C)CCCN([C@H](C)C(=O)OC)C1 ZINC000247699367 359241984 /nfs/dbraw/zinc/24/19/84/359241984.db2.gz XLALGBRCOZJZEK-ZYHUDNBSSA-N 0 1 213.321 2.060 20 0 BEADMN COC[C@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000248149475 359255905 /nfs/dbraw/zinc/25/59/05/359255905.db2.gz QOYMCOOPEZJJLA-UONOGXRCSA-N 0 1 249.354 2.403 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CC ZINC000251333301 359301582 /nfs/dbraw/zinc/30/15/82/359301582.db2.gz NRGCZGSDYUDMKE-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN CC1(C)CCC[C@]1(O)CNCc1cscn1 ZINC000292846616 359303217 /nfs/dbraw/zinc/30/32/17/359303217.db2.gz BNOOTZFLTAKTLY-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1CC[C@](C)(O)C1 ZINC000248343654 359266817 /nfs/dbraw/zinc/26/68/17/359266817.db2.gz KOXHNZQVJXSORW-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN C[C@]1(O)CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345667 359268159 /nfs/dbraw/zinc/26/81/59/359268159.db2.gz NAWYSGUMKQECBJ-KBPBESRZSA-N 0 1 235.302 2.270 20 0 BEADMN Oc1ccc([C@@H]2CCN(Cc3cocn3)C2)cc1 ZINC000628481045 359343315 /nfs/dbraw/zinc/34/33/15/359343315.db2.gz MHDMBSKPUAIUKB-GFCCVEGCSA-N 0 1 244.294 2.370 20 0 BEADMN CC1=CC[C@@](C)(C(=O)N[C@@H](C)c2nnc[nH]2)CC1 ZINC000611706378 359425448 /nfs/dbraw/zinc/42/54/48/359425448.db2.gz OHFPRHWPYRWODP-GXFFZTMASA-N 0 1 248.330 2.118 20 0 BEADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(CO)o2)C1 ZINC000580418801 359533985 /nfs/dbraw/zinc/53/39/85/359533985.db2.gz QWKBMAPJERXSON-QWRGUYRKSA-N 0 1 223.316 2.392 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC2(C)C)nc1 ZINC000580446530 359562036 /nfs/dbraw/zinc/56/20/36/359562036.db2.gz OENATLJIHMEKQY-SNVBAGLBSA-N 0 1 205.305 2.063 20 0 BEADMN C[C@@H](N[C@@H]1CC12CCCC2)c1ncc[nH]1 ZINC000308975213 491141665 /nfs/dbraw/zinc/14/16/65/491141665.db2.gz GKZHILARTJSJLN-NXEZZACHSA-N 0 1 205.305 2.393 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)C1(N(C)C)CC1 ZINC000612067939 359631591 /nfs/dbraw/zinc/63/15/91/359631591.db2.gz KBLLGMQWDZPWEV-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCSCCN1Cc1ccnc(C#N)c1 ZINC000385814561 359755004 /nfs/dbraw/zinc/75/50/04/359755004.db2.gz VRTVRTLOXJUSCW-NSHDSACASA-N 0 1 247.367 2.281 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000380858704 359725685 /nfs/dbraw/zinc/72/56/85/359725685.db2.gz INEHOGMSCMHRKT-JQWIXIFHSA-N 0 1 227.348 2.465 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450905588 202305804 /nfs/dbraw/zinc/30/58/04/202305804.db2.gz OJTMNKHIBHXFTH-NXEZZACHSA-N 0 1 239.319 2.143 20 0 BEADMN C[C@H](NCc1nccs1)[C@@H]1CCCCO1 ZINC000309095726 491144782 /nfs/dbraw/zinc/14/47/82/491144782.db2.gz CSTLFKUIPTWEIB-UWVGGRQHSA-N 0 1 226.345 2.190 20 0 BEADMN O=C([O-])C[N@@H+](CC1=CCCCC1)C1CC1 ZINC000578369482 366541424 /nfs/dbraw/zinc/54/14/24/366541424.db2.gz MPQPIGDJGPRMGJ-UHFFFAOYSA-N 0 1 209.289 2.036 20 0 BEADMN CCOC(=O)c1ccc(CN2C[C@H](C)[C@H]2C)nc1 ZINC000451074661 202347561 /nfs/dbraw/zinc/34/75/61/202347561.db2.gz XLESWTUSSIBPPX-WDEREUQCSA-N 0 1 248.326 2.099 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)C2CC2)[C@H](C)O1 ZINC000451165245 202366722 /nfs/dbraw/zinc/36/67/22/202366722.db2.gz KBCWQWJJRVKZHA-RSLMWUCJSA-N 0 1 249.358 2.027 20 0 BEADMN CC[C@@H](CO)N(C)Cc1oc(C(C)C)nc1C ZINC000451159454 202366885 /nfs/dbraw/zinc/36/68/85/202366885.db2.gz QQNQSOGEXPYXLM-NSHDSACASA-N 0 1 240.347 2.309 20 0 BEADMN C[C@]1(F)CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000451115250 202355734 /nfs/dbraw/zinc/35/57/34/202355734.db2.gz NUFXRZKITVAZMW-OLZOCXBDSA-N 0 1 245.338 2.354 20 0 BEADMN CC1(C)CC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000612531748 359878699 /nfs/dbraw/zinc/87/86/99/359878699.db2.gz GRYDIJNWUMGXQP-QWRGUYRKSA-N 0 1 247.342 2.340 20 0 BEADMN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@H](F)C1 ZINC000451199582 202380359 /nfs/dbraw/zinc/38/03/59/202380359.db2.gz RENSMGTYDJVZMF-XBFCOCLRSA-N 0 1 237.318 2.195 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccccc1F)C(=O)NC ZINC000451278139 202393606 /nfs/dbraw/zinc/39/36/06/202393606.db2.gz CCDMZXAXQXHEFO-CABZTGNLSA-N 0 1 238.306 2.001 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H]2C2CC2)s1 ZINC000309172144 491145857 /nfs/dbraw/zinc/14/58/57/491145857.db2.gz LQHSTFOTWKOUQK-NXEZZACHSA-N 0 1 223.345 2.125 20 0 BEADMN CC[N@@H+](CCCSCC(C)C)C1COC1 ZINC000451282601 202394897 /nfs/dbraw/zinc/39/48/97/202394897.db2.gz CMSRWYVMCPYNCQ-UHFFFAOYSA-N 0 1 231.405 2.486 20 0 BEADMN CCN(CCCSCC(C)C)C1COC1 ZINC000451282601 202394901 /nfs/dbraw/zinc/39/49/01/202394901.db2.gz CMSRWYVMCPYNCQ-UHFFFAOYSA-N 0 1 231.405 2.486 20 0 BEADMN CC[N@@H+](CCCCC1CCOCC1)C1COC1 ZINC000451282202 202394959 /nfs/dbraw/zinc/39/49/59/202394959.db2.gz BEVAEDMUARZKCS-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CC[N@@H+](CCCOCc1ccccc1)C1COC1 ZINC000451284900 202393294 /nfs/dbraw/zinc/39/32/94/202393294.db2.gz KLWPNVIUARXVRV-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CCN(CCCOCc1ccccc1)C1COC1 ZINC000451284900 202393295 /nfs/dbraw/zinc/39/32/95/202393295.db2.gz KLWPNVIUARXVRV-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CC[C@H](C)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000088494013 359963535 /nfs/dbraw/zinc/96/35/35/359963535.db2.gz PZSHYTFFCREYJY-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](NC1CSC1)c1c(C)noc1C ZINC000309229608 491146369 /nfs/dbraw/zinc/14/63/69/491146369.db2.gz WLXUAZXUKBRCQS-JTQLQIEISA-N 0 1 226.345 2.448 20 0 BEADMN O=C(CCCc1ccccc1)NCc1cnc[nH]1 ZINC000088753004 359975299 /nfs/dbraw/zinc/97/52/99/359975299.db2.gz VMZAGVOOHCQNAA-UHFFFAOYSA-N 0 1 243.310 2.049 20 0 BEADMN CC[C@@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000088752964 359975516 /nfs/dbraw/zinc/97/55/16/359975516.db2.gz CNSJNWCHFROKHZ-CYBMUJFWSA-N 0 1 243.310 2.220 20 0 BEADMN CCc1nc(SCC(=O)[C@@H](C)CC)n[nH]1 ZINC000089679395 360033935 /nfs/dbraw/zinc/03/39/35/360033935.db2.gz KLUPPRCVOWQZQB-ZETCQYMHSA-N 0 1 227.333 2.074 20 0 BEADMN CCc1n[nH]c(SCC(=O)[C@@H](C)CC)n1 ZINC000089679395 360033940 /nfs/dbraw/zinc/03/39/40/360033940.db2.gz KLUPPRCVOWQZQB-ZETCQYMHSA-N 0 1 227.333 2.074 20 0 BEADMN CC[C@H](NCc1ncn(C)n1)C1CCCCC1 ZINC000090969488 360094835 /nfs/dbraw/zinc/09/48/35/360094835.db2.gz RNUVRNMARMVXQM-LBPRGKRZSA-N 0 1 236.363 2.264 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000612841026 360103945 /nfs/dbraw/zinc/10/39/45/360103945.db2.gz WJBVUHXSXBCJJE-GHMZBOCLSA-N 0 1 249.358 2.065 20 0 BEADMN Fc1ccc2c(c1)CCN(CCn1ccnc1)C2 ZINC000091895232 360135317 /nfs/dbraw/zinc/13/53/17/360135317.db2.gz XSIXNTJGNSVTPH-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Cn1nncc1CN(CC1CCCCC1)C1CC1 ZINC000092165060 360154160 /nfs/dbraw/zinc/15/41/60/360154160.db2.gz FUWIHTJQMJHBSN-UHFFFAOYSA-N 0 1 248.374 2.360 20 0 BEADMN CN1CC2(C1)CCN(C(=O)C1=CCCCCC1)C2 ZINC000614038072 363713893 /nfs/dbraw/zinc/71/38/93/363713893.db2.gz KZFACJQDUNHVND-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CC1(C)CCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000094573395 360312651 /nfs/dbraw/zinc/31/26/51/360312651.db2.gz JTFNBRSYBJCCRL-LLVKDONJSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(CN)o1 ZINC000094564330 360312919 /nfs/dbraw/zinc/31/29/19/360312919.db2.gz YOZHGHOOMHZJCF-UWVGGRQHSA-N 0 1 236.315 2.141 20 0 BEADMN Cc1cscc1CNc1ncnc2[nH]cnc21 ZINC000094883083 360324868 /nfs/dbraw/zinc/32/48/68/360324868.db2.gz PZENCVZUIGGYSY-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)(C)F ZINC000633720550 360377700 /nfs/dbraw/zinc/37/77/00/360377700.db2.gz QWAUVOQQVBVQTO-UHFFFAOYSA-N 0 1 241.310 2.319 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)N2C[C@H](C)N[C@@H](C)C2)C1 ZINC000247446421 325591330 /nfs/dbraw/zinc/59/13/30/325591330.db2.gz YFLWDJPGSHYQCO-VOAKCMCISA-N 0 1 238.375 2.022 20 0 BEADMN CC1(C)CCC(C)(C)N(C(=O)c2ccn[nH]2)C1 ZINC000628531912 360486686 /nfs/dbraw/zinc/48/66/86/360486686.db2.gz NPLQAPAHPWKZHG-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CCn1nc(C)c(CNCC(C)(C)F)c1C ZINC000631190358 360536146 /nfs/dbraw/zinc/53/61/46/360536146.db2.gz ZBVLIJCAFYWMEJ-UHFFFAOYSA-N 0 1 227.327 2.358 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N(C1CC1)C1CC1 ZINC000628819885 360674369 /nfs/dbraw/zinc/67/43/69/360674369.db2.gz RAEPJOQUIIVLIA-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN C[C@@H](CN(C)C(=O)CN(C)C)C1CCCCC1 ZINC000628982319 360780495 /nfs/dbraw/zinc/78/04/95/360780495.db2.gz HWMYSRORJOMTPD-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN C/C=C/CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000629039245 360828968 /nfs/dbraw/zinc/82/89/68/360828968.db2.gz NNNCRSCYESYOLL-AATRIKPKSA-N 0 1 221.304 2.147 20 0 BEADMN C[C@@H]1C[C@@H](Sc2nc(C3CC3)n[nH]2)CCO1 ZINC000629112909 360880752 /nfs/dbraw/zinc/88/07/52/360880752.db2.gz GPXQEHXUWVNWJI-APPZFPTMSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@@H]1C[C@@H](Sc2n[nH]c(C3CC3)n2)CCO1 ZINC000629112909 360880757 /nfs/dbraw/zinc/88/07/57/360880757.db2.gz GPXQEHXUWVNWJI-APPZFPTMSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@H]1C[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000629112832 360881456 /nfs/dbraw/zinc/88/14/56/360881456.db2.gz FCKXNYANPFZNEH-POYBYMJQSA-N 0 1 209.318 2.430 20 0 BEADMN C[C@H]1C[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000629112832 360881460 /nfs/dbraw/zinc/88/14/60/360881460.db2.gz FCKXNYANPFZNEH-POYBYMJQSA-N 0 1 209.318 2.430 20 0 BEADMN CCO[C@@H](CSc1nnc(CC)[nH]1)C1CC1 ZINC000629111739 360881951 /nfs/dbraw/zinc/88/19/51/360881951.db2.gz NSQFMQPGNYLFJG-VIFPVBQESA-N 0 1 241.360 2.274 20 0 BEADMN CCO[C@@H](CSc1nc(CC)n[nH]1)C1CC1 ZINC000629111739 360881957 /nfs/dbraw/zinc/88/19/57/360881957.db2.gz NSQFMQPGNYLFJG-VIFPVBQESA-N 0 1 241.360 2.274 20 0 BEADMN CCc1nnc(S[C@@H]2CCO[C@@H](C)C2)[nH]1 ZINC000629111433 360882201 /nfs/dbraw/zinc/88/22/01/360882201.db2.gz KZTDFWJRAQTNCH-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCO[C@@H](C)C2)n1 ZINC000629111433 360882203 /nfs/dbraw/zinc/88/22/03/360882203.db2.gz KZTDFWJRAQTNCH-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN Cc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)on1 ZINC000631165900 360997278 /nfs/dbraw/zinc/99/72/78/360997278.db2.gz SGEALFZZTUDWHP-PHIMTYICSA-N 0 1 238.331 2.419 20 0 BEADMN O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1O ZINC000456867641 200806010 /nfs/dbraw/zinc/80/60/10/200806010.db2.gz AZFKUCNFGQQXQD-CABZTGNLSA-N 0 1 249.285 2.307 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000629360279 361006284 /nfs/dbraw/zinc/00/62/84/361006284.db2.gz NHDPHLBIIBNNHX-SWHYSGLUSA-N 0 1 245.322 2.154 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@]2(C)C(=O)[O-])C1 ZINC000629363972 361007425 /nfs/dbraw/zinc/00/74/25/361007425.db2.gz JANJWKVNYWSBFY-CYBMUJFWSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000629360428 361008565 /nfs/dbraw/zinc/00/85/65/361008565.db2.gz RHSLOVGWIXCTIC-MRVWCRGKSA-N 0 1 247.338 2.270 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360625 361008629 /nfs/dbraw/zinc/00/86/29/361008629.db2.gz VQJUWZYCSJKQKL-AAEUAGOBSA-N 0 1 233.311 2.229 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000629361203 361009693 /nfs/dbraw/zinc/00/96/93/361009693.db2.gz ALUCNFNAFDKEDR-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361053 361009774 /nfs/dbraw/zinc/00/97/74/361009774.db2.gz BVBDWQPKXLHXLW-UHXUPSOCSA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCF)[C@@H]2CCC[C@H]21 ZINC000629374186 361023571 /nfs/dbraw/zinc/02/35/71/361023571.db2.gz TZCXMZQADWLMFY-QJPTWQEYSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@H](CN(C)[C@@H](C)c1nncn1C)C(C)(C)C ZINC000640347909 361068114 /nfs/dbraw/zinc/06/81/14/361068114.db2.gz LSGXNODBOAJWQA-MNOVXSKESA-N 0 1 238.379 2.490 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(C)C)C1 ZINC000629484403 361090844 /nfs/dbraw/zinc/09/08/44/361090844.db2.gz KFFCQDHUULXEIY-NEPJUHHUSA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H]1C ZINC000629485490 361092311 /nfs/dbraw/zinc/09/23/11/361092311.db2.gz WSUACQZZCKDOCW-GARJFASQSA-N 0 1 213.321 2.216 20 0 BEADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[O-] ZINC000309716165 491154844 /nfs/dbraw/zinc/15/48/44/491154844.db2.gz YXNGXHWFZFVIMS-GFCCVEGCSA-N 0 1 219.284 2.080 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@]12C[C@H]1CCC2 ZINC000640379543 361188550 /nfs/dbraw/zinc/18/85/50/361188550.db2.gz OZIZYAOUALXILS-AMIZOPFISA-N 0 1 242.282 2.087 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640401363 361196622 /nfs/dbraw/zinc/19/66/22/361196622.db2.gz OXCXNSRTLGKEOJ-VIFPVBQESA-N 0 1 243.257 2.218 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCCC[C@@H]1C ZINC000066407171 361229037 /nfs/dbraw/zinc/22/90/37/361229037.db2.gz YPVOQQRYTLCMCK-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CCCc1nc(C)c(CN(C)CC(C)(C)O)o1 ZINC000428202222 201001434 /nfs/dbraw/zinc/00/14/34/201001434.db2.gz CZYFYTJLLADQHR-UHFFFAOYSA-N 0 1 240.347 2.138 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2CC(C)C)[nH]1 ZINC000428413573 201012917 /nfs/dbraw/zinc/01/29/17/201012917.db2.gz PIOOOTCDLUDRSY-NSHDSACASA-N 0 1 222.336 2.124 20 0 BEADMN CCc1nc(C)c(CN(C)C[C@@H]2CCCO2)o1 ZINC000428431681 201014770 /nfs/dbraw/zinc/01/47/70/201014770.db2.gz VLTDZJFWZJSVSM-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000428431481 201016546 /nfs/dbraw/zinc/01/65/46/201016546.db2.gz UHTLAMABIFEMBY-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)c1nc(CN(C(C)C)C2CC2)n[nH]1 ZINC000428470377 201021771 /nfs/dbraw/zinc/02/17/71/201021771.db2.gz OISRJYDAKINYIC-UHFFFAOYSA-N 0 1 222.336 2.301 20 0 BEADMN CC(C)C[C@@H]1C[C@H](NCc2cocn2)CCO1 ZINC000428884773 201047464 /nfs/dbraw/zinc/04/74/64/201047464.db2.gz YNMXXJMRGZGRNZ-DGCLKSJQSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)C[C@@H]1C[C@@H](NCc2cocn2)CCO1 ZINC000428884775 201047812 /nfs/dbraw/zinc/04/78/12/201047812.db2.gz YNMXXJMRGZGRNZ-WCQYABFASA-N 0 1 238.331 2.358 20 0 BEADMN O[C@H]1CCCC[C@@H]1CCCNCc1cocn1 ZINC000428873984 201048123 /nfs/dbraw/zinc/04/81/23/201048123.db2.gz XGCAHVBFXQDRBQ-YPMHNXCESA-N 0 1 238.331 2.096 20 0 BEADMN CC(C)C[C@H]1C[C@H](NCc2cocn2)CCO1 ZINC000428884777 201048199 /nfs/dbraw/zinc/04/81/99/201048199.db2.gz YNMXXJMRGZGRNZ-YPMHNXCESA-N 0 1 238.331 2.358 20 0 BEADMN CCC[C@@H]1C(C)=NN(c2cc(C)nc(C)n2)C1=O ZINC000614189016 363750194 /nfs/dbraw/zinc/75/01/94/363750194.db2.gz JGHCLYXIQBZZOS-LLVKDONJSA-N 0 1 246.314 2.232 20 0 BEADMN CCN1[C@H](C)CN(C(=O)[C@H](C)C(C)C)C[C@@H]1C ZINC000640615820 361332601 /nfs/dbraw/zinc/33/26/01/361332601.db2.gz BIBRJDHSCHDHOL-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN CCc1nc(C)c(CN(C)[C@H]2CCCOC2)o1 ZINC000428951032 201051584 /nfs/dbraw/zinc/05/15/84/201051584.db2.gz DUKBNGPQFCIJED-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CCc1nc(C)c(CN(C)C[C@@H](C)OC)o1 ZINC000428958931 201053208 /nfs/dbraw/zinc/05/32/08/201053208.db2.gz FISVMCXYHFSELI-SECBINFHSA-N 0 1 226.320 2.012 20 0 BEADMN Cc1cccc(Cl)c1C[N@@H+](C)CC(=O)[O-] ZINC000579248459 366746528 /nfs/dbraw/zinc/74/65/28/366746528.db2.gz NWUQZJDQMATJOS-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN CCOc1cccc(CN2CC[C@H]2CC)n1 ZINC000429277798 201089350 /nfs/dbraw/zinc/08/93/50/201089350.db2.gz HLHLZKGSZWSMGA-GFCCVEGCSA-N 0 1 220.316 2.465 20 0 BEADMN Cc1nnc(CN(C2CCC2)C2CCC2)o1 ZINC000429149779 201073998 /nfs/dbraw/zinc/07/39/98/201073998.db2.gz HGSVCERAOWNECP-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN CCc1noc(C)c1CN(C)C(C)(C)COC ZINC000429234584 201081735 /nfs/dbraw/zinc/08/17/35/201081735.db2.gz OYMZVYIHSZUJAA-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN CCc1nc(C)c(CN(C)C(C)(C)COC)o1 ZINC000429261677 201084667 /nfs/dbraw/zinc/08/46/67/201084667.db2.gz CBXDAHFAYJHTCX-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN CC[C@H]1CCN1CC(=O)N(CC(C)C)C(C)C ZINC000429291085 201096061 /nfs/dbraw/zinc/09/60/61/201096061.db2.gz FMUBKCCSGHESOG-ZDUSSCGKSA-N 0 1 240.391 2.364 20 0 BEADMN CCN(CCCC(C)C)Cc1cn(C)nn1 ZINC000429332050 201102545 /nfs/dbraw/zinc/10/25/45/201102545.db2.gz GHMJDKFVBJDDPA-UHFFFAOYSA-N 0 1 224.352 2.073 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H]2CC[C@@H](C)C2)n1 ZINC000429578529 201119739 /nfs/dbraw/zinc/11/97/39/201119739.db2.gz TVDUTFRVPIOONZ-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)n1 ZINC000429578529 201119741 /nfs/dbraw/zinc/11/97/41/201119741.db2.gz TVDUTFRVPIOONZ-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN CC(C)CCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000429591927 201121974 /nfs/dbraw/zinc/12/19/74/201121974.db2.gz SFPCSALEVRWCEB-IUODEOHRSA-N 0 1 231.405 2.266 20 0 BEADMN CCCN(C)Cc1cnnn1Cc1ccccc1 ZINC000430003043 201138658 /nfs/dbraw/zinc/13/86/58/201138658.db2.gz CIOMHLHQOPFFFR-UHFFFAOYSA-N 0 1 244.342 2.168 20 0 BEADMN NC1(c2nc(-c3ccccn3)no2)CCCCC1 ZINC000041032784 181334766 /nfs/dbraw/zinc/33/47/66/181334766.db2.gz IZMLQADVHSEZEI-UHFFFAOYSA-N 0 1 244.298 2.250 20 0 BEADMN CCOC1(C)CCN(Cc2n[nH]cc2C)CC1 ZINC000430109470 201144008 /nfs/dbraw/zinc/14/40/08/201144008.db2.gz CNPQOCCVJDAEAO-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN NC1(c2noc(CCC3CC3)n2)CCCC1 ZINC000342023345 181336226 /nfs/dbraw/zinc/33/62/26/181336226.db2.gz LCHFWACBMPPYPZ-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN CCc1nnc(SCC2CCC(O)CC2)[nH]1 ZINC000430951422 201159277 /nfs/dbraw/zinc/15/92/77/201159277.db2.gz LHRIJBRKTICWID-UHFFFAOYSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SCC2CCC(O)CC2)n1 ZINC000430951422 201159281 /nfs/dbraw/zinc/15/92/81/201159281.db2.gz LHRIJBRKTICWID-UHFFFAOYSA-N 0 1 241.360 2.010 20 0 BEADMN NC1(c2noc([C@@H]3CCC[C@H](F)C3)n2)CCC1 ZINC000335059452 181336574 /nfs/dbraw/zinc/33/65/74/181336574.db2.gz MTKQWYAJFLBEHR-BDAKNGLRSA-N 0 1 239.294 2.403 20 0 BEADMN NC1(c2noc([C@H]3CCSC3)n2)CCCC1 ZINC000070004865 181336708 /nfs/dbraw/zinc/33/67/08/181336708.db2.gz CQNHSCVCSDWBLG-QMMMGPOBSA-N 0 1 239.344 2.018 20 0 BEADMN NC1(c2noc(C3CCC3)n2)CCCC1 ZINC000041052987 181336919 /nfs/dbraw/zinc/33/69/19/181336919.db2.gz ICESONKXIHPVHT-UHFFFAOYSA-N 0 1 207.277 2.065 20 0 BEADMN CC[C@@H]1CCN1Cc1cc2c(cc1OC)OCO2 ZINC000430205181 201154021 /nfs/dbraw/zinc/15/40/21/201154021.db2.gz MAZFSJAVRGVYNS-LLVKDONJSA-N 0 1 249.310 2.408 20 0 BEADMN NC1(c2noc(Cc3ccsc3)n2)CCCC1 ZINC000041152939 181336105 /nfs/dbraw/zinc/33/61/05/181336105.db2.gz JLCJUUUXORUBAO-UHFFFAOYSA-N 0 1 249.339 2.450 20 0 BEADMN OCC1([C@H](NCCF)c2ccccc2)CCC1 ZINC000433304239 201179362 /nfs/dbraw/zinc/17/93/62/201179362.db2.gz KKTHZURSXOXLMI-CYBMUJFWSA-N 0 1 237.318 2.449 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccc(F)cc1F ZINC000309965328 491158651 /nfs/dbraw/zinc/15/86/51/491158651.db2.gz NCRGKCDZYLOFFD-VXGBXAGGSA-N 0 1 227.254 2.232 20 0 BEADMN CS[C@@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000448545701 201198053 /nfs/dbraw/zinc/19/80/53/201198053.db2.gz JXLLQBBSMOABSY-LLVKDONJSA-N 0 1 240.372 2.271 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)C(C)(C)O)c(C)s1 ZINC000448546814 201201295 /nfs/dbraw/zinc/20/12/95/201201295.db2.gz NHYZQMYILYFZOW-VIFPVBQESA-N 0 1 242.388 2.351 20 0 BEADMN CNc1ccc(NCc2[nH]ncc2C)cc1 ZINC000629653708 361552703 /nfs/dbraw/zinc/55/27/03/361552703.db2.gz FQSHRWRXWQQUKT-UHFFFAOYSA-N 0 1 216.288 2.372 20 0 BEADMN Cc1cocc1-c1nc([C@H]2CCCN2)no1 ZINC000629675442 361598444 /nfs/dbraw/zinc/59/84/44/361598444.db2.gz SOYLQMNYKHMCQZ-SECBINFHSA-N 0 1 219.244 2.063 20 0 BEADMN C[C@@H]1CC[C@@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000153861343 201250664 /nfs/dbraw/zinc/25/06/64/201250664.db2.gz YFLWDJPGSHYQCO-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN c1cc(-c2ccncc2)cc([C@@H]2COCCN2)c1 ZINC000629691366 361617973 /nfs/dbraw/zinc/61/79/73/361617973.db2.gz WRROZNOKPQMGFA-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC1CCCC1 ZINC000070618134 361638061 /nfs/dbraw/zinc/63/80/61/361638061.db2.gz LEYBDKHDLKKHPF-GFCCVEGCSA-N 0 1 211.305 2.116 20 0 BEADMN c1cncc(-c2cccc([C@@H]3COCCN3)c2)c1 ZINC000629711264 361647489 /nfs/dbraw/zinc/64/74/89/361647489.db2.gz ALBKKCGPMUOVHJ-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN CC1=CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000436271859 201315392 /nfs/dbraw/zinc/31/53/92/201315392.db2.gz QWSOYRWPUYTTAX-UHFFFAOYSA-N 0 1 238.375 2.284 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000436259747 201317079 /nfs/dbraw/zinc/31/70/79/201317079.db2.gz KCOWSRXVRRXUTI-CHWSQXEVSA-N 0 1 238.375 2.332 20 0 BEADMN C[C@@H](NCC1(O)CCCC1)c1nccs1 ZINC000083463988 491161872 /nfs/dbraw/zinc/16/18/72/491161872.db2.gz UKQHFTHIVFDHTB-SECBINFHSA-N 0 1 226.345 2.099 20 0 BEADMN CCc1nc(CNC[C@H]2CC[C@@H](C)O2)cs1 ZINC000328221802 363858641 /nfs/dbraw/zinc/85/86/41/363858641.db2.gz LSNGJQQZUUAENB-MWLCHTKSSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1ncc(CNCCOc2ccccc2)o1 ZINC000398042757 363840095 /nfs/dbraw/zinc/84/00/95/363840095.db2.gz ZQHTYZFMODMTCH-UHFFFAOYSA-N 0 1 232.283 2.152 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631704962 363929151 /nfs/dbraw/zinc/92/91/51/363929151.db2.gz VILRWNCOBJZNLB-DEKYYXRVSA-N 0 1 249.358 2.046 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631704961 363929564 /nfs/dbraw/zinc/92/95/64/363929564.db2.gz VILRWNCOBJZNLB-BIAAXOCRSA-N 0 1 249.358 2.046 20 0 BEADMN NCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000005100369 181355473 /nfs/dbraw/zinc/35/54/73/181355473.db2.gz UOFRMEBCRYQRNC-UHFFFAOYSA-N 0 1 240.306 2.175 20 0 BEADMN COc1ccccc1[C@H](CO)NCC=C(C)C ZINC000541983092 364056767 /nfs/dbraw/zinc/05/67/67/364056767.db2.gz KOEJEWDQPJOGIX-ZDUSSCGKSA-N 0 1 235.327 2.284 20 0 BEADMN Cn1ccnc1CN1CCc2ccccc2CC1 ZINC000116301398 370752612 /nfs/dbraw/zinc/75/26/12/370752612.db2.gz GITQEWXZTUJPMJ-UHFFFAOYSA-N 0 1 241.338 2.021 20 0 BEADMN CN(C)Cc1cc(-c2cn(C)cn2)ccc1F ZINC000630501875 364190628 /nfs/dbraw/zinc/19/06/28/364190628.db2.gz WWGBVGYBUIVCPQ-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN Cc1cccc(CCCn2ccnc2CN)c1 ZINC000630583785 364285685 /nfs/dbraw/zinc/28/56/85/364285685.db2.gz KXDHTMHAQHMVDZ-UHFFFAOYSA-N 0 1 229.327 2.283 20 0 BEADMN CNC(C)(C)c1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000630617016 364354732 /nfs/dbraw/zinc/35/47/32/364354732.db2.gz TUMWFGWOQDLDIS-GRYCIOLGSA-N 0 1 248.374 2.169 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H](C)C2CC2)s1 ZINC000135007495 364422215 /nfs/dbraw/zinc/42/22/15/364422215.db2.gz SHOYXKOLVZNRBJ-NKWVEPMBSA-N 0 1 211.334 2.296 20 0 BEADMN CCC1(CC)[C@H](NCc2ccon2)C[C@H]1OC ZINC000181853290 366851594 /nfs/dbraw/zinc/85/15/94/366851594.db2.gz HQALDKLXLPTVDR-VXGBXAGGSA-N 0 1 238.331 2.358 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cocn2)C12CCC2 ZINC000182075977 366864758 /nfs/dbraw/zinc/86/47/58/366864758.db2.gz LJYHFFOEDSHKSP-NEPJUHHUSA-N 0 1 236.315 2.112 20 0 BEADMN CCC1(CC)[C@@H](NCc2cocn2)C[C@@H]1OC ZINC000182067764 366864953 /nfs/dbraw/zinc/86/49/53/366864953.db2.gz LFDAZQDCOBOTFH-RYUDHWBXSA-N 0 1 238.331 2.358 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cocn1 ZINC000182067804 366865117 /nfs/dbraw/zinc/86/51/17/366865117.db2.gz LFDAZQDCOBOTFH-NWDGAFQWSA-N 0 1 238.331 2.358 20 0 BEADMN CCN(Cc1nc(COC)no1)[C@H](C)C(C)C ZINC000182097974 366866479 /nfs/dbraw/zinc/86/64/79/366866479.db2.gz HRNHSFYJZXEVPK-SNVBAGLBSA-N 0 1 241.335 2.082 20 0 BEADMN O[C@H]1CCC[C@@H]1N[C@H]1CCCc2scnc21 ZINC000631742560 364550279 /nfs/dbraw/zinc/55/02/79/364550279.db2.gz YQGDMBPONVVXMM-GUBZILKMSA-N 0 1 238.356 2.024 20 0 BEADMN O=C(CC1CC1)Nc1n[nH]c2cc(O)ccc21 ZINC000615137485 364517052 /nfs/dbraw/zinc/51/70/52/364517052.db2.gz LBBVVNZRJRJGBO-UHFFFAOYSA-N 0 1 231.255 2.007 20 0 BEADMN CCOC(C)(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000630843029 364593859 /nfs/dbraw/zinc/59/38/59/364593859.db2.gz PNIXATHTFBDEBW-UHFFFAOYSA-N 0 1 247.298 2.317 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000138933833 364573779 /nfs/dbraw/zinc/57/37/79/364573779.db2.gz YJIAYLBLXCAVTM-BXKDBHETSA-N 0 1 237.274 2.436 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)C2(N(C)C)CC2)CC1 ZINC000615240092 364654422 /nfs/dbraw/zinc/65/44/22/364654422.db2.gz BQPUHUMVMISINM-HAQNSBGRSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250604319 364657684 /nfs/dbraw/zinc/65/76/84/364657684.db2.gz UXFXVRNWLKUICM-WOPDTQHZSA-N 0 1 225.332 2.360 20 0 BEADMN Cc1ncncc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631754071 364663586 /nfs/dbraw/zinc/66/35/86/364663586.db2.gz ZSXMTDKAPAIBFV-SZEHBUNVSA-N 0 1 245.248 2.386 20 0 BEADMN Cc1nnsc1CN(C)CC1CCCC1 ZINC000555879885 364696652 /nfs/dbraw/zinc/69/66/52/364696652.db2.gz GWVXXTZYNUYCLL-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1ncc(C)s1 ZINC000300974455 541376241 /nfs/dbraw/zinc/37/62/41/541376241.db2.gz JQGHKCUOWUTXBL-SECBINFHSA-N 0 1 228.361 2.355 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000252665332 364755905 /nfs/dbraw/zinc/75/59/05/364755905.db2.gz TUCGBUVFCOXHMO-CXZNFISWSA-N 0 1 211.305 2.138 20 0 BEADMN CCc1nc(CN[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000274667459 364757826 /nfs/dbraw/zinc/75/78/26/364757826.db2.gz RKWMPOSSBDQNBK-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN CCc1nc(CNc2ccnc(Cl)c2)n[nH]1 ZINC000294978439 364779426 /nfs/dbraw/zinc/77/94/26/364779426.db2.gz PDOHMFRUWZUWTP-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000573375988 364814960 /nfs/dbraw/zinc/81/49/60/364814960.db2.gz DPWIXQGUHJJGJP-AVGNSLFASA-N 0 1 229.339 2.362 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CCCC(C)C ZINC000573656155 364884688 /nfs/dbraw/zinc/88/46/88/364884688.db2.gz SUPYZMMBACZHOZ-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CN(C)Cc1ccc(C(=O)N(C)C(C)(C)C)cn1 ZINC000573850037 364930808 /nfs/dbraw/zinc/93/08/08/364930808.db2.gz WAUZKAWYRANJIH-UHFFFAOYSA-N 0 1 249.358 2.014 20 0 BEADMN CC(C)C[N@@H+](CCCCF)CCC(=O)[O-] ZINC000573855761 364932209 /nfs/dbraw/zinc/93/22/09/364932209.db2.gz VIUFOPJSYYRIQA-UHFFFAOYSA-N 0 1 219.300 2.169 20 0 BEADMN CC(C)(C)CNC(=O)c1ccc2cncn2c1 ZINC000283255997 541406683 /nfs/dbraw/zinc/40/66/83/541406683.db2.gz BXADMUNOIIFJLF-UHFFFAOYSA-N 0 1 231.299 2.110 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000573928128 364947444 /nfs/dbraw/zinc/94/74/44/364947444.db2.gz WESKQKVAUWIHAX-PWSUYJOCSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H](O)CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000574010557 364965019 /nfs/dbraw/zinc/96/50/19/364965019.db2.gz AIQSCPIQWDUSKH-HIFRSBDPSA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCC(C)(C)C ZINC000574216066 365011899 /nfs/dbraw/zinc/01/18/99/365011899.db2.gz ASFUCQWJYQJSQX-JTQLQIEISA-N 0 1 237.347 2.141 20 0 BEADMN CC(C)[C@@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000574216613 365013210 /nfs/dbraw/zinc/01/32/10/365013210.db2.gz ARMJTIQVMNAEPX-VXGBXAGGSA-N 0 1 248.374 2.318 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000574216940 365013449 /nfs/dbraw/zinc/01/34/49/365013449.db2.gz NCKGVVNIYLXSTJ-WDEREUQCSA-N 0 1 237.347 2.139 20 0 BEADMN CO[C@@H](c1ccccc1)[C@H](C)NCc1cc[nH]n1 ZINC000574389332 365049810 /nfs/dbraw/zinc/04/98/10/365049810.db2.gz GMXVMGYRNXHQIC-SMDDNHRTSA-N 0 1 245.326 2.276 20 0 BEADMN CC(=O)c1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000574286168 365028872 /nfs/dbraw/zinc/02/88/72/365028872.db2.gz WWTUFTHLUZLRIE-JTQLQIEISA-N 0 1 249.310 2.042 20 0 BEADMN C[C@@H](F)CC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000574533139 365086830 /nfs/dbraw/zinc/08/68/30/365086830.db2.gz CHACXTCPXZGOBA-SECBINFHSA-N 0 1 229.295 2.206 20 0 BEADMN CC[C@]1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000574697009 365124971 /nfs/dbraw/zinc/12/49/71/365124971.db2.gz GIVRIUPJNZKJTQ-TZMCWYRMSA-N 0 1 248.326 2.329 20 0 BEADMN c1cc(CNCc2ccc3c[nH]nc3c2)co1 ZINC000171130101 365170945 /nfs/dbraw/zinc/17/09/45/365170945.db2.gz UIUCKCNQYWPXPF-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN CC1(C)CC[NH+](Cc2ncccc2[O-])CC1 ZINC000575026976 365172487 /nfs/dbraw/zinc/17/24/87/365172487.db2.gz KBPBUTKXAGPUFC-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@H]1CN(C)CCN1c1ccnc2ccsc21 ZINC000443447074 193020337 /nfs/dbraw/zinc/02/03/37/193020337.db2.gz VROQCYNZAUKKOV-JTQLQIEISA-N 0 1 247.367 2.437 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)Cc1ncccn1 ZINC000192214586 365283916 /nfs/dbraw/zinc/28/39/16/365283916.db2.gz KXBONKIDJRONHD-RYUDHWBXSA-N 0 1 219.332 2.487 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cnccn1 ZINC000172110923 365294141 /nfs/dbraw/zinc/29/41/41/365294141.db2.gz QWYSYIPVQJHVAG-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cn[nH]c1 ZINC000172356501 365315159 /nfs/dbraw/zinc/31/51/59/365315159.db2.gz XKBGCSRMELJVEL-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1ccon1 ZINC000172355161 365315489 /nfs/dbraw/zinc/31/54/89/365315489.db2.gz GFUKTOFFHPRUIW-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN CN(Cc1cn(C(C)(C)C)nn1)C(C)(C)C ZINC000575803820 365368275 /nfs/dbraw/zinc/36/82/75/365368275.db2.gz KLQYEUUTOXEXJI-UHFFFAOYSA-N 0 1 224.352 2.263 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000575761485 365356747 /nfs/dbraw/zinc/35/67/47/365356747.db2.gz CFSFQCPGIHWQGI-UHFFFAOYSA-N 0 1 233.311 2.434 20 0 BEADMN CCON(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC001642249513 1172334133 /nfs/dbraw/zinc/33/41/33/1172334133.db2.gz AZPJINJDIFWHRM-UHFFFAOYSA-N 0 1 245.282 2.004 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccncc2)[C@@H]1C ZINC000172862720 365383389 /nfs/dbraw/zinc/38/33/89/365383389.db2.gz RTFUXTAVZBZEOC-VXGBXAGGSA-N 0 1 247.342 2.141 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000172873926 365386289 /nfs/dbraw/zinc/38/62/89/365386289.db2.gz WVUUVZVEQBCRAE-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000575861375 365388417 /nfs/dbraw/zinc/38/84/17/365388417.db2.gz CUHOKDZVWVHDMJ-MNOVXSKESA-N 0 1 234.347 2.072 20 0 BEADMN CC[C@@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000575861377 365389201 /nfs/dbraw/zinc/38/92/01/365389201.db2.gz CUHOKDZVWVHDMJ-WDEREUQCSA-N 0 1 234.347 2.072 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000576173691 365509932 /nfs/dbraw/zinc/50/99/32/365509932.db2.gz ZMBCEGNRTJYXJJ-RYUDHWBXSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1cccc(NC(=O)CN(C)C(C)C)c1F ZINC000182543776 366915485 /nfs/dbraw/zinc/91/54/85/366915485.db2.gz MTBKMBIBOPFBGP-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN Cc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)co1 ZINC000659956392 541467003 /nfs/dbraw/zinc/46/70/03/541467003.db2.gz RXSCSJQJUGVWOS-PHIMTYICSA-N 0 1 206.289 2.071 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(CC)C[C@H](C)OC ZINC000361567563 366949245 /nfs/dbraw/zinc/94/92/45/366949245.db2.gz XDIUWBAKHQIQJV-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CCCC[C@H](COC)N[C@H](C)c1nccn1C ZINC000182995094 366964710 /nfs/dbraw/zinc/96/47/10/366964710.db2.gz ROHAGGGRPXMLDU-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN CN1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183923602 367057472 /nfs/dbraw/zinc/05/74/72/367057472.db2.gz JMBRZELAXXCNNP-UHFFFAOYSA-N 0 1 240.297 2.372 20 0 BEADMN CN1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000183923602 367057478 /nfs/dbraw/zinc/05/74/78/367057478.db2.gz JMBRZELAXXCNNP-UHFFFAOYSA-N 0 1 240.297 2.372 20 0 BEADMN NC(=O)c1cnccc1N[C@H]1CC12CCCCC2 ZINC000184144083 367066526 /nfs/dbraw/zinc/06/65/26/367066526.db2.gz QRTXBBGOYSXQRK-LBPRGKRZSA-N 0 1 245.326 2.315 20 0 BEADMN CCc1nnc(CN(CC)C2CCCC2)[nH]1 ZINC000185185937 367123046 /nfs/dbraw/zinc/12/30/46/367123046.db2.gz LYBQJLASFKKBQM-UHFFFAOYSA-N 0 1 222.336 2.132 20 0 BEADMN CCc1nc(CN2C[C@H](C)c3ccccc32)n[nH]1 ZINC000185183055 367124637 /nfs/dbraw/zinc/12/46/37/367124637.db2.gz BERGEEHGKCEQJY-JTQLQIEISA-N 0 1 242.326 2.491 20 0 BEADMN CC[C@H]1CN(C(C)=O)CCN1Cc1ccccc1 ZINC000185358724 367129199 /nfs/dbraw/zinc/12/91/99/367129199.db2.gz VPBQRXUVUVVFFZ-HNNXBMFYSA-N 0 1 246.354 2.129 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC000579967514 367106732 /nfs/dbraw/zinc/10/67/32/367106732.db2.gz NENLDGPNGOTASY-QMMMGPOBSA-N 0 1 241.253 2.370 20 0 BEADMN Cc1nnc([C@@H](C)NCC2CCCC2)o1 ZINC000380279569 367170791 /nfs/dbraw/zinc/17/07/91/367170791.db2.gz YPGRTWSVSPCBMI-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CC(C)[C@@H](CNC(=O)CN(C)C)c1ccccc1 ZINC000193552657 367191050 /nfs/dbraw/zinc/19/10/50/367191050.db2.gz KYXFEYKSPGVSTQ-CQSZACIVSA-N 0 1 248.370 2.104 20 0 BEADMN Cc1nnc(N(C)Cc2cc(C(C)(C)C)[nH]n2)o1 ZINC000580910704 367203571 /nfs/dbraw/zinc/20/35/71/367203571.db2.gz ZGZMHMGMHKAFLE-UHFFFAOYSA-N 0 1 249.318 2.035 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1C(=O)[O-] ZINC000581071233 367252130 /nfs/dbraw/zinc/25/21/30/367252130.db2.gz HUWPJMBWICVYDM-JHJVBQTASA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C[C@@H]1C(=O)[O-] ZINC000581071229 367252154 /nfs/dbraw/zinc/25/21/54/367252154.db2.gz HUWPJMBWICVYDM-AGIUHOORSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@H](SC)C1 ZINC000581374990 367406591 /nfs/dbraw/zinc/40/65/91/367406591.db2.gz KRSWKXAHNXTFKE-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000381548163 367428808 /nfs/dbraw/zinc/42/88/08/367428808.db2.gz FMSSNORFJUWFMI-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCOC[C@@H]1CCC[C@H]1NCC(C)(F)F ZINC000382176212 367493285 /nfs/dbraw/zinc/49/32/85/367493285.db2.gz YBVRMHDZOZKTHP-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCCC2(F)F)C1 ZINC000381556082 367430162 /nfs/dbraw/zinc/43/01/62/367430162.db2.gz HAMQTCQDVIBRIJ-KOLCDFICSA-N 0 1 247.285 2.218 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc(C)ccn1 ZINC000381740548 367453163 /nfs/dbraw/zinc/45/31/63/367453163.db2.gz OVXXZTHDTFCZEZ-RAIGVLPGSA-N 0 1 220.316 2.218 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cccc(F)c1F ZINC000381772979 367456540 /nfs/dbraw/zinc/45/65/40/367456540.db2.gz WLGZGZCGXWZQMC-MNOVXSKESA-N 0 1 227.254 2.232 20 0 BEADMN c1cc(CN2CCC(OC3CCC3)CC2)on1 ZINC000581419445 367462266 /nfs/dbraw/zinc/46/22/66/367462266.db2.gz ZJFCZNNUHMCVTM-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnn1C ZINC000382312631 367506603 /nfs/dbraw/zinc/50/66/03/367506603.db2.gz QMLCGGCLNDIOBE-HBNTYKKESA-N 0 1 225.311 2.351 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(F)cc(OC)c1 ZINC000565579201 325930330 /nfs/dbraw/zinc/93/03/30/325930330.db2.gz WZRHJCKYUSJJBT-STQMWFEESA-N 0 1 239.290 2.101 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000383006339 367584220 /nfs/dbraw/zinc/58/42/20/367584220.db2.gz CWKXYHKNBWFUKP-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CC(C)(C)C ZINC000581556291 367588850 /nfs/dbraw/zinc/58/88/50/367588850.db2.gz BGAXMDPKRZHJMR-SNVBAGLBSA-N 0 1 237.347 2.093 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CC(C)(C)C ZINC000581556290 367588975 /nfs/dbraw/zinc/58/89/75/367588975.db2.gz BGAXMDPKRZHJMR-JTQLQIEISA-N 0 1 237.347 2.093 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000383352705 367614931 /nfs/dbraw/zinc/61/49/31/367614931.db2.gz BGFOWTLSWMLMLS-LBPRGKRZSA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000581634619 367642218 /nfs/dbraw/zinc/64/22/18/367642218.db2.gz WPFLTYROXYGPEI-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000581634619 367642220 /nfs/dbraw/zinc/64/22/20/367642220.db2.gz WPFLTYROXYGPEI-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000581634621 367642561 /nfs/dbraw/zinc/64/25/61/367642561.db2.gz WPFLTYROXYGPEI-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000581634621 367642567 /nfs/dbraw/zinc/64/25/67/367642567.db2.gz WPFLTYROXYGPEI-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000581634620 367642821 /nfs/dbraw/zinc/64/28/21/367642821.db2.gz WPFLTYROXYGPEI-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000581634620 367642829 /nfs/dbraw/zinc/64/28/29/367642829.db2.gz WPFLTYROXYGPEI-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC000384764545 367728276 /nfs/dbraw/zinc/72/82/76/367728276.db2.gz AYNWPTYGUZDWCS-LBPRGKRZSA-N 0 1 223.316 2.426 20 0 BEADMN CC/C=C\CNCc1cccc(OC)n1 ZINC000384768555 367730083 /nfs/dbraw/zinc/73/00/83/367730083.db2.gz RKKYHEJIIUCGRQ-PLNGDYQASA-N 0 1 206.289 2.146 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccncc1C ZINC000384857664 367743916 /nfs/dbraw/zinc/74/39/16/367743916.db2.gz NHBZCEQRNDPDEY-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](C)O[C@H]2C)sc1C ZINC000384904104 367754623 /nfs/dbraw/zinc/75/46/23/367754623.db2.gz NUTHBSKXASFRFU-OVYXKVPISA-N 0 1 240.372 2.415 20 0 BEADMN CC/C=C/CN=c1nc[nH]c2ccsc21 ZINC000384934028 367760580 /nfs/dbraw/zinc/76/05/80/367760580.db2.gz SVQHYPDVQHTJSQ-ONEGZZNKSA-N 0 1 219.313 2.491 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000385258684 367813626 /nfs/dbraw/zinc/81/36/26/367813626.db2.gz YBJQKULZHPWDEU-LBPRGKRZSA-N 0 1 223.316 2.283 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1ccno1 ZINC000581929579 367951423 /nfs/dbraw/zinc/95/14/23/367951423.db2.gz URKVGIVKYMTLRS-LLVKDONJSA-N 0 1 224.304 2.066 20 0 BEADMN CC(C)N(CC(N)=O)Cc1cccc(Cl)c1 ZINC000016419520 367952581 /nfs/dbraw/zinc/95/25/81/367952581.db2.gz OISXLLSKUKXWMH-UHFFFAOYSA-N 0 1 240.734 2.036 20 0 BEADMN CC[C@H](N[C@H](C)c1csc(C)n1)[C@@H](C)O ZINC000386687619 368009892 /nfs/dbraw/zinc/00/98/92/368009892.db2.gz JPKAWDMOINENKH-MRTMQBJTSA-N 0 1 228.361 2.262 20 0 BEADMN CC[C@@H](NCc1c(F)cccc1F)[C@H](C)O ZINC000386785914 368021957 /nfs/dbraw/zinc/02/19/57/368021957.db2.gz NIMOQEMIJWJVTA-QPUJVOFHSA-N 0 1 229.270 2.214 20 0 BEADMN C[C@H](C[N@@H+](C)[C@H](C(=O)[O-])C1CC1)C(C)(C)C ZINC000399545111 368176511 /nfs/dbraw/zinc/17/65/11/368176511.db2.gz BJMICHZRYYODBF-KOLCDFICSA-N 0 1 227.348 2.464 20 0 BEADMN CC[C@@H](NCc1ncc(Cl)s1)[C@H](C)O ZINC000387442147 368190426 /nfs/dbraw/zinc/19/04/26/368190426.db2.gz PQSQTKKZUWJVQH-NKWVEPMBSA-N 0 1 234.752 2.046 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc(F)c1 ZINC000058043099 368505074 /nfs/dbraw/zinc/50/50/74/368505074.db2.gz UNBJDAGRNQIOTP-UHFFFAOYSA-N 0 1 224.279 2.104 20 0 BEADMN CC(C)OCC[N@@H+](C)CCC(F)(F)F ZINC000064635108 368609768 /nfs/dbraw/zinc/60/97/68/368609768.db2.gz CKRKZAGDWPKGSW-UHFFFAOYSA-N 0 1 213.243 2.296 20 0 BEADMN CC(C)OCCN(C)CCC(F)(F)F ZINC000064635108 368609774 /nfs/dbraw/zinc/60/97/74/368609774.db2.gz CKRKZAGDWPKGSW-UHFFFAOYSA-N 0 1 213.243 2.296 20 0 BEADMN COc1ccc(F)cc1CN1CCCC1 ZINC000066405555 368646991 /nfs/dbraw/zinc/64/69/91/368646991.db2.gz HWAXEWYZSWIWRO-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN Cc1cc(N(C)C)nc(NCc2ccco2)n1 ZINC000068124643 368714152 /nfs/dbraw/zinc/71/41/52/368714152.db2.gz MOKJUZPUKYIFNY-UHFFFAOYSA-N 0 1 232.287 2.056 20 0 BEADMN CCCCOCCN1C[C@H](C)OC(C)(C)C1 ZINC000068481199 368728149 /nfs/dbraw/zinc/72/81/49/368728149.db2.gz GJSHTGOBWDZYGU-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000457281834 203034054 /nfs/dbraw/zinc/03/40/54/203034054.db2.gz MXMFSWRKFJXIOH-SGMGOOAPSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000457281834 203034057 /nfs/dbraw/zinc/03/40/57/203034057.db2.gz MXMFSWRKFJXIOH-SGMGOOAPSA-N 0 1 238.375 2.022 20 0 BEADMN CSCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457301058 203034956 /nfs/dbraw/zinc/03/49/56/203034956.db2.gz VTNKKLMGHZKCPH-UHFFFAOYSA-N 0 1 247.266 2.362 20 0 BEADMN Cc1nc2c(n1C[C@H]1CCO[C@@H]1C)CCCC2 ZINC000631021022 370915617 /nfs/dbraw/zinc/91/56/17/370915617.db2.gz HMZNRPFZKAQFSA-ZYHUDNBSSA-N 0 1 234.343 2.495 20 0 BEADMN CCCN1CCN(C(=O)CC2CCCC2)CC1 ZINC000069532488 368754539 /nfs/dbraw/zinc/75/45/39/368754539.db2.gz RSTXJNYTQXOMFT-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN COCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000074348402 368840594 /nfs/dbraw/zinc/84/05/94/368840594.db2.gz PCGDBNWRVALGAA-HNNXBMFYSA-N 0 1 249.354 2.487 20 0 BEADMN CCCCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000085612111 368866623 /nfs/dbraw/zinc/86/66/23/368866623.db2.gz APHGSARMXOPZMR-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](CC(=O)[O-])C(C)C ZINC000086740006 368883781 /nfs/dbraw/zinc/88/37/81/368883781.db2.gz XTWDNRHMLYJPAX-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1C ZINC000086803390 368885448 /nfs/dbraw/zinc/88/54/48/368885448.db2.gz FXFBOLSCZRZGOE-LBPRGKRZSA-N 0 1 239.290 2.429 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCCc3scnc32)CO1 ZINC000624006471 368946886 /nfs/dbraw/zinc/94/68/86/368946886.db2.gz YAXWLULKAMIJRG-OPRDCNLKSA-N 0 1 238.356 2.288 20 0 BEADMN CCCN(C)Cc1cn2cccc(C)c2n1 ZINC000058399458 369007924 /nfs/dbraw/zinc/00/79/24/369007924.db2.gz NVDSSFOCWYITBS-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN Cc1cc(C(=O)N2[C@@H](C)CCC2(C)C)n[nH]1 ZINC000616177238 369009402 /nfs/dbraw/zinc/00/94/02/369009402.db2.gz BMVILNNNYBGUNK-VIFPVBQESA-N 0 1 221.304 2.121 20 0 BEADMN Cc1ncc(C(=O)N2[C@@H](C)CCC2(C)C)[nH]1 ZINC000616178269 369010644 /nfs/dbraw/zinc/01/06/44/369010644.db2.gz XJHFTUGVBXSLKD-QMMMGPOBSA-N 0 1 221.304 2.121 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)C1(N(C)C)CC1 ZINC000616186355 369018999 /nfs/dbraw/zinc/01/89/99/369018999.db2.gz TYPWVTSSPPXOFA-JTQLQIEISA-N 0 1 226.364 2.022 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C)C(F)(F)F)c1C ZINC000616203914 369046091 /nfs/dbraw/zinc/04/60/91/369046091.db2.gz LCPNHZBQANPSGQ-UHFFFAOYSA-N 0 1 249.236 2.097 20 0 BEADMN CCCC[C@H](CC)C(=O)N(C)CC1CN(C)C1 ZINC000618195665 369086590 /nfs/dbraw/zinc/08/65/90/369086590.db2.gz SQOCUMSKJQQUNP-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)CCCCC(=O)N[C@H](C)c1nnc[nH]1 ZINC000457624005 203083132 /nfs/dbraw/zinc/08/31/32/203083132.db2.gz UZVDRYOKTSXEIU-SNVBAGLBSA-N 0 1 238.335 2.198 20 0 BEADMN CCC1(CC)CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000618667359 369192509 /nfs/dbraw/zinc/19/25/09/369192509.db2.gz IVYPKMWZGCXZBB-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](NC(=O)Cc1cc(C)n[nH]1)C1CCC1 ZINC000458300581 203156113 /nfs/dbraw/zinc/15/61/13/203156113.db2.gz CAYFIGPKCUNJKT-ZDUSSCGKSA-N 0 1 249.358 2.346 20 0 BEADMN CCC[C@@H](NC(=O)Cc1cc(C)n[nH]1)C1CCC1 ZINC000458300580 203156939 /nfs/dbraw/zinc/15/69/39/203156939.db2.gz CAYFIGPKCUNJKT-CYBMUJFWSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@H](NC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC000618864518 369228702 /nfs/dbraw/zinc/22/87/02/369228702.db2.gz VACAUYQGTZMLIR-NSHDSACASA-N 0 1 247.342 2.207 20 0 BEADMN CCCc1noc(CN2CC[C@H](C)[C@@H]2C)n1 ZINC000177898816 134304696 /nfs/dbraw/zinc/30/46/96/134304696.db2.gz PVGAOPROLZHQBZ-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN CC(C)(NCC1=NOCC1)c1cccs1 ZINC001642625830 1172382989 /nfs/dbraw/zinc/38/29/89/1172382989.db2.gz VFGLEQGRIDQJDV-UHFFFAOYSA-N 0 1 224.329 2.349 20 0 BEADMN COCc1cc(CN2C[C@H](C)C[C@@H]2C)no1 ZINC000459385569 203272062 /nfs/dbraw/zinc/27/20/62/203272062.db2.gz YXDPUYIUYLEVDC-ZJUUUORDSA-N 0 1 224.304 2.051 20 0 BEADMN CCn1nncc1CN[C@H](C)c1ccccc1 ZINC000459402723 203272999 /nfs/dbraw/zinc/27/29/99/203272999.db2.gz ZWVBAMNWCBZNBP-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN CCOCCN(CC)Cc1cnc(C2CC2)nc1 ZINC000459322905 203258370 /nfs/dbraw/zinc/25/83/70/203258370.db2.gz ISAYWVRPTIZCRJ-UHFFFAOYSA-N 0 1 249.358 2.212 20 0 BEADMN COCc1cc(CN2C[C@@H](C)CC2(C)C)no1 ZINC000459335093 203261664 /nfs/dbraw/zinc/26/16/64/203261664.db2.gz BIHQDNPUOICOJU-JTQLQIEISA-N 0 1 238.331 2.441 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459356317 203269435 /nfs/dbraw/zinc/26/94/35/203269435.db2.gz CUFZIYXNZGWBHV-AOOOYVTPSA-N 0 1 247.342 2.432 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619360311 369324581 /nfs/dbraw/zinc/32/45/81/369324581.db2.gz OXWSWOSNUGCRCT-RKDXNWHRSA-N 0 1 235.258 2.013 20 0 BEADMN CC(C)(O)CNc1ccc2cnccc2c1 ZINC000567706422 326248921 /nfs/dbraw/zinc/24/89/21/326248921.db2.gz QRSBPLURCMFBHQ-UHFFFAOYSA-N 0 1 216.284 2.418 20 0 BEADMN COCCC1(NCc2cc(C)on2)CCC1 ZINC000459527608 203295139 /nfs/dbraw/zinc/29/51/39/203295139.db2.gz NBPHQFWBSMRJOC-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN CCC(CC)c1cc(CNC[C@@H](O)CC)on1 ZINC000567689263 326245738 /nfs/dbraw/zinc/24/57/38/326245738.db2.gz GMKZVBWDCJVBJM-NSHDSACASA-N 0 1 240.347 2.439 20 0 BEADMN FC(F)(F)CCNCc1cnc(C2CC2)nc1 ZINC000459419601 203278737 /nfs/dbraw/zinc/27/87/37/203278737.db2.gz JSCVCRVUAFOXKV-UHFFFAOYSA-N 0 1 245.248 2.396 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC[C@H]2C[C@H]2C1 ZINC000619339058 369313446 /nfs/dbraw/zinc/31/34/46/369313446.db2.gz KTFPPTGWEAKNFM-UWVGGRQHSA-N 0 1 241.294 2.045 20 0 BEADMN Cc1cc(CN[C@H](CO)CC2CCCC2)no1 ZINC000459453676 203282956 /nfs/dbraw/zinc/28/29/56/203282956.db2.gz MWDNPVPHVRCKKA-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN COC1(C)CN(CC2(OC)CCCCC2)C1 ZINC000459590658 203310590 /nfs/dbraw/zinc/31/05/90/203310590.db2.gz SLJZMDZZZIQCJL-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN Cc1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)no1 ZINC000459549635 203299311 /nfs/dbraw/zinc/29/93/11/203299311.db2.gz FQAWRWAGRVGNAF-RRFJBIMHSA-N 0 1 240.306 2.411 20 0 BEADMN CCC(F)(F)CN[C@H]1CCO[C@H](C)C1 ZINC000623679231 369379136 /nfs/dbraw/zinc/37/91/36/369379136.db2.gz NLCYDJGVPBNQTP-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1n[nH]cc1C ZINC000459672346 203332211 /nfs/dbraw/zinc/33/22/11/203332211.db2.gz HVTBESFIRAPSHH-GFCCVEGCSA-N 0 1 237.347 2.109 20 0 BEADMN COCC1(C)CN(Cc2cc3cccnc3o2)C1 ZINC000459623514 203321720 /nfs/dbraw/zinc/32/17/20/203321720.db2.gz QHOZTRBIGKOPPZ-UHFFFAOYSA-N 0 1 246.310 2.296 20 0 BEADMN COCC1(C)CN(Cc2cc(C)ccc2OC)C1 ZINC000459624882 203321751 /nfs/dbraw/zinc/32/17/51/203321751.db2.gz VMWUDAAGBRDHEW-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN CCc1ccc(CN2CC(C)(CO)C2)cc1 ZINC000459624533 203322324 /nfs/dbraw/zinc/32/23/24/203322324.db2.gz VTCPBHOLZVFZSM-UHFFFAOYSA-N 0 1 219.328 2.063 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ncc(CC)s2)C1 ZINC000459632931 203324805 /nfs/dbraw/zinc/32/48/05/203324805.db2.gz MFXSDUZUCABHTG-AOOOYVTPSA-N 0 1 240.372 2.363 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2csc(C)n2)C1 ZINC000459645260 203329240 /nfs/dbraw/zinc/32/92/40/203329240.db2.gz LFZLVOLZXBGMLH-JGZJWPJOSA-N 0 1 226.345 2.109 20 0 BEADMN CCn1nnc(C)c1CN1CC(C(C)(C)C)C1 ZINC000459651508 203331633 /nfs/dbraw/zinc/33/16/33/203331633.db2.gz ZEXUOGLMZVAINV-UHFFFAOYSA-N 0 1 236.363 2.084 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1n[nH]cc1C ZINC000459672347 203333613 /nfs/dbraw/zinc/33/36/13/203333613.db2.gz HVTBESFIRAPSHH-LBPRGKRZSA-N 0 1 237.347 2.109 20 0 BEADMN CCc1ncc(CN[C@@H](C)[C@H]2CCCCO2)o1 ZINC000623996126 370956347 /nfs/dbraw/zinc/95/63/47/370956347.db2.gz URVUFVNVMUTBEM-CMPLNLGQSA-N 0 1 238.331 2.284 20 0 BEADMN CCn1nnc(C)c1CN(C)C1CC(C)(C)C1 ZINC000459757387 203357955 /nfs/dbraw/zinc/35/79/55/203357955.db2.gz RVTKKIAEBKWOCZ-UHFFFAOYSA-N 0 1 236.363 2.227 20 0 BEADMN COC(=O)CC1(CN2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000619649557 369506591 /nfs/dbraw/zinc/50/65/91/369506591.db2.gz NWAVZOQJLCXWKZ-GHMZBOCLSA-N 0 1 243.322 2.010 20 0 BEADMN COc1nccc(CN(C)C2CC(C)(C)C2)n1 ZINC000459764081 203360110 /nfs/dbraw/zinc/36/01/10/203360110.db2.gz WPNZNXIYISKHIG-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN COCc1cc(CN[C@@]2(C)CC=CCC2)no1 ZINC000459767587 203361514 /nfs/dbraw/zinc/36/15/14/203361514.db2.gz PWPFEZDPILWQIT-ZDUSSCGKSA-N 0 1 236.315 2.409 20 0 BEADMN CC[N@@H+]1CCN(CCSC(C)C)C[C@@H]1C ZINC000619780188 369584629 /nfs/dbraw/zinc/58/46/29/369584629.db2.gz CZUIXANMDBDFPP-LBPRGKRZSA-N 0 1 230.421 2.154 20 0 BEADMN COC(=O)C[N@@H+](C[C@H](C)C(C)(C)C)C1CC1 ZINC000619844431 369617328 /nfs/dbraw/zinc/61/73/28/369617328.db2.gz QGKALTJAEYMNPX-JTQLQIEISA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)CN(C[C@H](C)C(C)(C)C)C1CC1 ZINC000619844431 369617333 /nfs/dbraw/zinc/61/73/33/369617333.db2.gz QGKALTJAEYMNPX-JTQLQIEISA-N 0 1 227.348 2.306 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C2CC2)C2CC2)c1C ZINC000620027014 369673466 /nfs/dbraw/zinc/67/34/66/369673466.db2.gz DHQGYDAICPVJTF-UHFFFAOYSA-N 0 1 247.342 2.335 20 0 BEADMN CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC000620039389 369681516 /nfs/dbraw/zinc/68/15/16/369681516.db2.gz VHHYDCVZDXKIMD-GFCCVEGCSA-N 0 1 247.342 2.063 20 0 BEADMN CC(C)[C@H](NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000620041806 369684640 /nfs/dbraw/zinc/68/46/40/369684640.db2.gz NKECNPHGOWMXLL-STQMWFEESA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)n[nH]1 ZINC000620215823 369775656 /nfs/dbraw/zinc/77/56/56/369775656.db2.gz YTUCZUGSHGUURL-GFCCVEGCSA-N 0 1 247.342 2.370 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000568066000 326303231 /nfs/dbraw/zinc/30/32/31/326303231.db2.gz NAPJLNLFNBFHPO-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnc[nH]1 ZINC000620429395 369873113 /nfs/dbraw/zinc/87/31/13/369873113.db2.gz NBXWRWSNXCGIER-VGPLMAKISA-N 0 1 247.342 2.132 20 0 BEADMN Cc1ncc(C(=O)N(CCC2CC2)CC2CC2)[nH]1 ZINC000620630311 369968620 /nfs/dbraw/zinc/96/86/20/369968620.db2.gz XMXYTUXDLAHSSM-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN CN(C)CC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000620572044 369929231 /nfs/dbraw/zinc/92/92/31/369929231.db2.gz RMIYJGHEQXHWRP-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCCc1ccc(CNCC(=O)NC(C)C)cc1 ZINC000620878831 370033668 /nfs/dbraw/zinc/03/36/68/370033668.db2.gz GAXIPNMSQRFQDH-UHFFFAOYSA-N 0 1 248.370 2.253 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1csc(C)n1 ZINC000308744215 370156705 /nfs/dbraw/zinc/15/67/05/370156705.db2.gz QLQORKZTCLODHU-ZJUUUORDSA-N 0 1 228.386 2.435 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1csc(C)n1 ZINC000308744212 370157729 /nfs/dbraw/zinc/15/77/29/370157729.db2.gz QLQORKZTCLODHU-NXEZZACHSA-N 0 1 228.386 2.435 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cncc(Cl)c1 ZINC000621314342 370239635 /nfs/dbraw/zinc/23/96/35/370239635.db2.gz RVQJAURSFOMNBK-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)C2)ccn1 ZINC000621254983 370187677 /nfs/dbraw/zinc/18/76/77/370187677.db2.gz SDFMIJXMYNNLNR-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN COC[C@@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621259227 370191733 /nfs/dbraw/zinc/19/17/33/370191733.db2.gz OUDJVUQCWRLONJ-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN Cc1cc(CN(C)CC2=CCSC2)ccn1 ZINC000621322929 370252122 /nfs/dbraw/zinc/25/21/22/370252122.db2.gz NGUDAJAJXAWNQP-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN C[C@@H]1OCC[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000631008391 370207631 /nfs/dbraw/zinc/20/76/31/370207631.db2.gz YSVHUVGZYIZYCP-CBAPKCEASA-N 0 1 239.344 2.199 20 0 BEADMN C[C@@H]1OCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000631008391 370207634 /nfs/dbraw/zinc/20/76/34/370207634.db2.gz YSVHUVGZYIZYCP-CBAPKCEASA-N 0 1 239.344 2.199 20 0 BEADMN CCOc1cncc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000621342856 370276289 /nfs/dbraw/zinc/27/62/89/370276289.db2.gz MDLYFAQBCSMVTI-JTQLQIEISA-N 0 1 246.314 2.054 20 0 BEADMN c1ccc2c(c1)C[N@@H+](C[C@H]1CCCO1)CCO2 ZINC000076849038 370360504 /nfs/dbraw/zinc/36/05/04/370360504.db2.gz OGODTESHGWFELE-CYBMUJFWSA-N 0 1 233.311 2.060 20 0 BEADMN c1ccc2c(c1)CN(C[C@H]1CCCO1)CCO2 ZINC000076849038 370360510 /nfs/dbraw/zinc/36/05/10/370360510.db2.gz OGODTESHGWFELE-CYBMUJFWSA-N 0 1 233.311 2.060 20 0 BEADMN Cc1nc(C)c(C(=O)N2CCc3ccccc32)[nH]1 ZINC000621395641 370334355 /nfs/dbraw/zinc/33/43/55/370334355.db2.gz USXLPIYUMQPOIB-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN Cc1ncccc1CNCc1ccccn1 ZINC000113311796 370401310 /nfs/dbraw/zinc/40/13/10/370401310.db2.gz BLAGLKHGNGIJMT-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CCCC[C@H](C(=O)N1CCNC[C@@H]1C)C(C)C ZINC000621621006 370405332 /nfs/dbraw/zinc/40/53/32/370405332.db2.gz OXMKUKADYRCAHC-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nccnc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000621714457 370461372 /nfs/dbraw/zinc/46/13/72/370461372.db2.gz OOQKTLCXBHBLKS-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1nccnc1CN1CCSC(C)(C)C1 ZINC000621716479 370464745 /nfs/dbraw/zinc/46/47/45/370464745.db2.gz BLAUNWTWVIGBPF-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CCOc1cncc(CN2CC(C3CC3)C2)c1 ZINC000621728456 370480153 /nfs/dbraw/zinc/48/01/53/370480153.db2.gz PYIXZRFQXFICFP-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1nccnc1CN1CCCO[C@H](C(C)C)C1 ZINC000621729141 370481649 /nfs/dbraw/zinc/48/16/49/370481649.db2.gz KONNRXMRUHMRKZ-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1nccnc1C ZINC000621731752 370482932 /nfs/dbraw/zinc/48/29/32/370482932.db2.gz ZCNGBXZJUIIIIK-ZDUSSCGKSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)C[C@@H]1CO ZINC000621738920 370496287 /nfs/dbraw/zinc/49/62/87/370496287.db2.gz XKVYDMKWAFMMJX-NXEZZACHSA-N 0 1 243.734 2.383 20 0 BEADMN Cc1nocc1CN1CC(CC2CC2)C1 ZINC000621740464 370499519 /nfs/dbraw/zinc/49/95/19/370499519.db2.gz RFNGNWQQEXFWEP-UHFFFAOYSA-N 0 1 206.289 2.215 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cnn(C(C)C)c1 ZINC000066673321 370602245 /nfs/dbraw/zinc/60/22/45/370602245.db2.gz YVWPLRFLJFOHJS-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cc(C)cc(C)n2)[nH]1 ZINC000621927239 370603321 /nfs/dbraw/zinc/60/33/21/370603321.db2.gz IZYCDYPQVOTQMK-UHFFFAOYSA-N 0 1 244.298 2.291 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000378655645 371009635 /nfs/dbraw/zinc/00/96/35/371009635.db2.gz AMHNKJYWBCVGAZ-SFYZADRCSA-N 0 1 240.328 2.072 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000378655644 371011350 /nfs/dbraw/zinc/01/13/50/371011350.db2.gz AMHNKJYWBCVGAZ-JGVFFNPUSA-N 0 1 240.328 2.072 20 0 BEADMN CCCCCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000154011822 371069859 /nfs/dbraw/zinc/06/98/59/371069859.db2.gz XEJSIRDGWAWRPD-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[N@H+](Cc1nc(CC)cc(=O)[n-]1)C(C)C ZINC000568764402 326376107 /nfs/dbraw/zinc/37/61/07/326376107.db2.gz JSUKKKMDBCIARR-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN CCC[N@@H+](Cc1nc(CC)cc(=O)[n-]1)C(C)C ZINC000568764402 326376109 /nfs/dbraw/zinc/37/61/09/326376109.db2.gz JSUKKKMDBCIARR-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN c1nc2c(s1)CCC[C@@H]2N[C@H]1CCCOC1 ZINC000623889142 371141940 /nfs/dbraw/zinc/14/19/40/371141940.db2.gz FKWBBWJQBFPRLG-UWVGGRQHSA-N 0 1 238.356 2.289 20 0 BEADMN c1nc2c(s1)CCC[C@@H]2NC[C@H]1CCCO1 ZINC000623850833 371123933 /nfs/dbraw/zinc/12/39/33/371123933.db2.gz SMQNGLTUQIHXOM-ZJUUUORDSA-N 0 1 238.356 2.289 20 0 BEADMN c1nc2c(s1)CCC[C@H]2NC[C@@H]1CCCO1 ZINC000623850832 371124668 /nfs/dbraw/zinc/12/46/68/371124668.db2.gz SMQNGLTUQIHXOM-VHSXEESVSA-N 0 1 238.356 2.289 20 0 BEADMN Cc1csc([C@H](C)N[C@H](CO)CC2CC2)n1 ZINC000623924607 371157600 /nfs/dbraw/zinc/15/76/00/371157600.db2.gz HSMMYNRMUWYLHQ-ONGXEEELSA-N 0 1 240.372 2.263 20 0 BEADMN CC[C@@H](O)CCN[C@H](C)c1nc(C)cs1 ZINC000623907247 371149611 /nfs/dbraw/zinc/14/96/11/371149611.db2.gz QMWNQCYXFMKYTA-NXEZZACHSA-N 0 1 228.361 2.263 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CCCCO1 ZINC000623942300 371170156 /nfs/dbraw/zinc/17/01/56/371170156.db2.gz FMHAIZDZEPKSMY-RNCFNFMXSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CCCCO1 ZINC000623942300 371170159 /nfs/dbraw/zinc/17/01/59/371170159.db2.gz FMHAIZDZEPKSMY-RNCFNFMXSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1cc(CNCCc2ccccc2O)on1 ZINC000631057585 371184650 /nfs/dbraw/zinc/18/46/50/371184650.db2.gz DZVMGMOWQHFIFK-UHFFFAOYSA-N 0 1 232.283 2.021 20 0 BEADMN CCCCN(CC)C(=O)c1cnccc1N(C)C ZINC000273517177 168797382 /nfs/dbraw/zinc/79/73/82/168797382.db2.gz OSIBQWOEFMJISU-UHFFFAOYSA-N 0 1 249.358 2.410 20 0 BEADMN CCC[C@H](C)CCCN1CCN(C)C(=O)[C@@H]1C ZINC001642799451 1172407504 /nfs/dbraw/zinc/40/75/04/1172407504.db2.gz UFSRBBAXRLJACR-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1csc([C@H](C)NC[C@H](O)C2CCC2)n1 ZINC000623997230 371229237 /nfs/dbraw/zinc/22/92/37/371229237.db2.gz FZPLOZAHZUBADQ-ONGXEEELSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1csc([C@H](C)NC[C@@H](O)C2CCC2)n1 ZINC000623997227 371229949 /nfs/dbraw/zinc/22/99/49/371229949.db2.gz FZPLOZAHZUBADQ-GXSJLCMTSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@@H]2CCCCO2)o1 ZINC000623999664 371232267 /nfs/dbraw/zinc/23/22/67/371232267.db2.gz XRPVSBMPFDHTPN-CABZTGNLSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ccsc1[C@@H](CO)NCc1cccnc1 ZINC001642834536 1172409185 /nfs/dbraw/zinc/40/91/85/1172409185.db2.gz SDFNEWXUUMBYBA-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC000631072811 371349881 /nfs/dbraw/zinc/34/98/81/371349881.db2.gz ZAAYHQIEYKYTAU-MRVPVSSYSA-N 0 1 247.298 2.243 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCCOCC1 ZINC000624147657 371340618 /nfs/dbraw/zinc/34/06/18/371340618.db2.gz HFVIJVXFDQPAFP-SECBINFHSA-N 0 1 207.264 2.190 20 0 BEADMN CC[C@@H](NCC(F)(F)CC)[C@H]1CCOC1 ZINC000624148008 371343159 /nfs/dbraw/zinc/34/31/59/371343159.db2.gz SGLCCMZTVXSUTQ-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN CCOCc1ccccc1CNCc1cn[nH]c1 ZINC000624213356 371399707 /nfs/dbraw/zinc/39/97/07/371399707.db2.gz XUJRTIHMWGDSSK-UHFFFAOYSA-N 0 1 245.326 2.236 20 0 BEADMN CO[C@H]1C[C@H](N[C@@H](C)c2cc3n(n2)CCCC3)C1 ZINC000624300402 371467059 /nfs/dbraw/zinc/46/70/59/371467059.db2.gz FXPOZVKFQSYRLQ-GVXVVHGQSA-N 0 1 249.358 2.047 20 0 BEADMN c1ccc(-c2nnc(CN3CCCC3)o2)cc1 ZINC000021782683 371495532 /nfs/dbraw/zinc/49/55/32/371495532.db2.gz AOHQKEMRUDSJSO-UHFFFAOYSA-N 0 1 229.283 2.332 20 0 BEADMN C[C@](CO)(NCc1cccnc1)c1ccccc1 ZINC000227211899 371804246 /nfs/dbraw/zinc/80/42/46/371804246.db2.gz HNJGLUODMKXTLJ-OAHLLOKOSA-N 0 1 242.322 2.079 20 0 BEADMN CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000058874335 372108260 /nfs/dbraw/zinc/10/82/60/372108260.db2.gz YDSJKMVSFDWKAS-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H]1CCC[C@H](C)N(C(=O)c2ccn[nH]2)C1 ZINC000134133812 372165750 /nfs/dbraw/zinc/16/57/50/372165750.db2.gz WFDVGHJJBKBRNE-UWVGGRQHSA-N 0 1 221.304 2.060 20 0 BEADMN CCCn1cc(CNCC(C)(C)F)cn1 ZINC000631190093 372224929 /nfs/dbraw/zinc/22/49/29/372224929.db2.gz WTDAGJSDSPMJBR-UHFFFAOYSA-N 0 1 213.300 2.131 20 0 BEADMN CCCN(C)Cc1cn2ccsc2n1 ZINC000171080457 372294677 /nfs/dbraw/zinc/29/46/77/372294677.db2.gz IWTFFWLENKLBHV-UHFFFAOYSA-N 0 1 209.318 2.238 20 0 BEADMN C[C@H](NCc1ccsc1)[C@@H](O)C(F)(F)F ZINC000631231649 372251503 /nfs/dbraw/zinc/25/15/03/372251503.db2.gz JCQSTHJUXOVKQJ-POYBYMJQSA-N 0 1 239.262 2.149 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cccnc1 ZINC000631263146 372268732 /nfs/dbraw/zinc/26/87/32/372268732.db2.gz NLBWSJDTCJEKMT-RKDXNWHRSA-N 0 1 216.206 2.122 20 0 BEADMN CC[C@H](CC(=O)NCc1cnc[nH]1)C(C)(C)C ZINC000631413116 372346870 /nfs/dbraw/zinc/34/68/70/372346870.db2.gz AOENVGVEKLTBHR-SNVBAGLBSA-N 0 1 237.347 2.488 20 0 BEADMN O=C(CCC1CC1)Nc1ccc2[nH]nnc2c1 ZINC000153673807 181902901 /nfs/dbraw/zinc/90/29/01/181902901.db2.gz VPYGCYUCAJVPAI-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN COc1ccc2c(c1)CC[C@@H]2NCCF ZINC000631626479 372467870 /nfs/dbraw/zinc/46/78/70/372467870.db2.gz YKOBHUGHKBQUDK-LBPRGKRZSA-N 0 1 209.264 2.242 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000631756475 372559815 /nfs/dbraw/zinc/55/98/15/372559815.db2.gz LUAIRPRZOZJQNL-FTLITQJKSA-N 0 1 233.237 2.022 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000521886712 259556684 /nfs/dbraw/zinc/55/66/84/259556684.db2.gz IDVRZDUVXIDZPT-ZDUSSCGKSA-N 0 1 233.311 2.024 20 0 BEADMN O=C(CCCCO)Nc1cccc(Cl)c1O ZINC000632143345 372780867 /nfs/dbraw/zinc/78/08/67/372780867.db2.gz TXVJDVBQEGFKIZ-UHFFFAOYSA-N 0 1 243.690 2.147 20 0 BEADMN O=C(CSC1CC1)Nc1ccc2nc[nH]c2c1 ZINC000294636667 182008396 /nfs/dbraw/zinc/00/83/96/182008396.db2.gz GNPCJPLWGMRSDP-UHFFFAOYSA-N 0 1 247.323 2.397 20 0 BEADMN O=C(CSc1nc(C2CC2)n[nH]1)C1CCC1 ZINC000278090462 182012212 /nfs/dbraw/zinc/01/22/12/182012212.db2.gz YCYYKIABHVZDSB-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN O=C(CSc1n[nH]c(C2CC2)n1)C1CCC1 ZINC000278090462 182012215 /nfs/dbraw/zinc/01/22/15/182012215.db2.gz YCYYKIABHVZDSB-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN O=C(C[C@H]1C=CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268912999 182025344 /nfs/dbraw/zinc/02/53/44/182025344.db2.gz BGPRKMVWNPAKHR-CMPLNLGQSA-N 0 1 245.326 2.260 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000174468254 182052909 /nfs/dbraw/zinc/05/29/09/182052909.db2.gz NDRVYMOFBBZLHE-AAEUAGOBSA-N 0 1 247.342 2.133 20 0 BEADMN CCc1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC000172782342 373072982 /nfs/dbraw/zinc/07/29/82/373072982.db2.gz WKYCEOQXWXHRBP-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN O=C(NC1CCCC1)c1ccc(F)cc1O ZINC000123211385 182111804 /nfs/dbraw/zinc/11/18/04/182111804.db2.gz XRKNHBAQOISSNT-UHFFFAOYSA-N 0 1 223.247 2.204 20 0 BEADMN CCCN1CCN(c2cc(F)ccc2F)CC1 ZINC000177635474 205619502 /nfs/dbraw/zinc/61/95/02/205619502.db2.gz MESWISNFNJEMOS-UHFFFAOYSA-N 0 1 240.297 2.497 20 0 BEADMN O=C(NCCCCF)c1cccc2nc[nH]c21 ZINC000360815443 182164687 /nfs/dbraw/zinc/16/46/87/182164687.db2.gz GDCWUKPDKKNXNU-UHFFFAOYSA-N 0 1 235.262 2.042 20 0 BEADMN CC(C)(F)CNC(=O)c1ccc(F)cc1O ZINC000633719252 373705538 /nfs/dbraw/zinc/70/55/38/373705538.db2.gz DQNSLOBPYDWQQS-UHFFFAOYSA-N 0 1 229.226 2.009 20 0 BEADMN CC(C)CCCNC(=O)CN(C)C1CCC1 ZINC000173617490 373731764 /nfs/dbraw/zinc/73/17/64/373731764.db2.gz SLJIZJQTBBFELB-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC23CC3)c1C ZINC000633777851 373748218 /nfs/dbraw/zinc/74/82/18/373748218.db2.gz RSWCHLXNLCOGJX-SNVBAGLBSA-N 0 1 233.315 2.089 20 0 BEADMN O=C(N[C@@H]1CCCC12CC2)[C@H]1CCCN1C1CC1 ZINC000633778982 373751720 /nfs/dbraw/zinc/75/17/20/373751720.db2.gz OKPADYBVIKOYIC-CHWSQXEVSA-N 0 1 248.370 2.062 20 0 BEADMN O=C(N[C@H]1CCCC12CC2)[C@@H]1CCCN1C1CC1 ZINC000633779292 373752240 /nfs/dbraw/zinc/75/22/40/373752240.db2.gz OKPADYBVIKOYIC-STQMWFEESA-N 0 1 248.370 2.062 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@@H]1c1ccco1 ZINC000633789082 373759429 /nfs/dbraw/zinc/75/94/29/373759429.db2.gz LMKZYKFTAVUXPM-LLVKDONJSA-N 0 1 245.282 2.226 20 0 BEADMN Cc1sccc1NC(=O)CCc1cnc[nH]1 ZINC000634218085 374039380 /nfs/dbraw/zinc/03/93/80/374039380.db2.gz NSFBUFIFAJPNGF-UHFFFAOYSA-N 0 1 235.312 2.351 20 0 BEADMN C[C@@](CO)(NCc1cocn1)C1CCCCC1 ZINC000192317085 205950644 /nfs/dbraw/zinc/95/06/44/205950644.db2.gz MXEVBYGGVHTYOV-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN COC(=O)c1coc(C[N@H+]2CCC(C)(C)C2)c1 ZINC000174258083 374168390 /nfs/dbraw/zinc/16/83/90/374168390.db2.gz UQSXKRFGLBCQRC-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN COC(=O)c1coc(CN2CCC(C)(C)C2)c1 ZINC000174258083 374168392 /nfs/dbraw/zinc/16/83/92/374168392.db2.gz UQSXKRFGLBCQRC-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN Cc1cocc1-c1nc(C2(N)CCCC2)no1 ZINC000634555911 374311873 /nfs/dbraw/zinc/31/18/73/374311873.db2.gz YQUQHICIOCQBER-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN O=C(NOCC1CC1)c1ccc(Cl)cc1O ZINC000293766268 182282510 /nfs/dbraw/zinc/28/25/10/182282510.db2.gz MDZIMHMVVJINSD-UHFFFAOYSA-N 0 1 241.674 2.117 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@@H](C(C)C)CC2)[nH]1 ZINC000428227728 206057001 /nfs/dbraw/zinc/05/70/01/206057001.db2.gz JWFJILZYZJSNIL-GFCCVEGCSA-N 0 1 236.363 2.371 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc2occc2c1 ZINC000430144953 206062223 /nfs/dbraw/zinc/06/22/23/206062223.db2.gz BGABKXNDZHABQO-UHFFFAOYSA-N 0 1 246.310 2.130 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)OC1CCCC1 ZINC000296282278 182300232 /nfs/dbraw/zinc/30/02/32/182300232.db2.gz MTIFVKSYXUHCKT-LLVKDONJSA-N 0 1 249.314 2.456 20 0 BEADMN CC[C@@H](F)CN1CCC[C@@H](c2nc(C)no2)C1 ZINC000440699291 206080109 /nfs/dbraw/zinc/08/01/09/206080109.db2.gz BLDWQGDBWFLNHE-GHMZBOCLSA-N 0 1 241.310 2.306 20 0 BEADMN C[C@@H](CC(N)=O)Nc1ccnc2cc(F)ccc21 ZINC000441803995 206081783 /nfs/dbraw/zinc/08/17/83/206081783.db2.gz SBLJEYYWMLIFLJ-QMMMGPOBSA-N 0 1 247.273 2.050 20 0 BEADMN CC[C@@H]1[C@@H](CO)CCN1Cc1ncc(C)s1 ZINC000449426133 206097471 /nfs/dbraw/zinc/09/74/71/206097471.db2.gz QVDHXEQYFQVJDE-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN CCCCC[S@](=O)Cc1n[nH]c(C2CC2)n1 ZINC000194624587 206100333 /nfs/dbraw/zinc/10/03/33/206100333.db2.gz GUEGYYJRPVOVLN-INIZCTEOSA-N 0 1 241.360 2.121 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1ccc(C)cc1 ZINC000459465043 206128085 /nfs/dbraw/zinc/12/80/85/206128085.db2.gz ILLQZGVBFQPSGQ-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1cc(CNCCSCC(C)C)no1 ZINC000459467804 206128583 /nfs/dbraw/zinc/12/85/83/206128583.db2.gz ZMPMWOGXPYXUCX-UHFFFAOYSA-N 0 1 228.361 2.462 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194812341 206110896 /nfs/dbraw/zinc/11/08/96/206110896.db2.gz XAQKGDVHEQCMAL-UHFFFAOYSA-N 0 1 245.326 2.447 20 0 BEADMN COCc1cc(CN2CCCC[C@@H](C)C2)no1 ZINC000459542281 206132725 /nfs/dbraw/zinc/13/27/25/206132725.db2.gz XPMGNJWCVHMROD-LLVKDONJSA-N 0 1 238.331 2.443 20 0 BEADMN CC[C@H]1C[C@@H](CNCC(F)F)CCO1 ZINC000459546021 206134036 /nfs/dbraw/zinc/13/40/36/206134036.db2.gz MCSXLHJHRPFTGN-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CC1(F)F ZINC000294740421 182367153 /nfs/dbraw/zinc/36/71/53/182367153.db2.gz OGJHWTCTEJAWNC-SSDOTTSWSA-N 0 1 237.209 2.157 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1cscn1 ZINC000041507025 182367210 /nfs/dbraw/zinc/36/72/10/182367210.db2.gz QCGFGLYVDHAHIV-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN O=C(Nc1cn[nH]c1)c1ccc(Cl)cc1O ZINC000035238762 182392148 /nfs/dbraw/zinc/39/21/48/182392148.db2.gz XHVRMIKDPPXQIP-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1cn[nH]c1)c1ccc(O)c(Cl)c1 ZINC000035237392 182392191 /nfs/dbraw/zinc/39/21/91/182392191.db2.gz BQNCKEZTJNRRQQ-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1C[C@@H]1C1CC1 ZINC000184619227 182396615 /nfs/dbraw/zinc/39/66/15/182396615.db2.gz ICCBVCMXXYBGKC-ZJUUUORDSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1C[C@@H]1C1CC1 ZINC000184619227 182396616 /nfs/dbraw/zinc/39/66/16/182396616.db2.gz ICCBVCMXXYBGKC-ZJUUUORDSA-N 0 1 246.314 2.057 20 0 BEADMN Clc1cncc(CSc2cn[nH]n2)c1 ZINC001643736240 1172492307 /nfs/dbraw/zinc/49/23/07/1172492307.db2.gz MHGDBKAZXYASGG-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN [O-]c1cccc(C[NH2+]CCCCCO)c1Cl ZINC000293308853 183047019 /nfs/dbraw/zinc/04/70/19/183047019.db2.gz QAJDOTAFQXROLJ-UHFFFAOYSA-N 0 1 243.734 2.298 20 0 BEADMN OCC1(NCc2c(F)cccc2F)CCCC1 ZINC000053044430 183038747 /nfs/dbraw/zinc/03/87/47/183038747.db2.gz UJVWUBRCBVZCQP-UHFFFAOYSA-N 0 1 241.281 2.360 20 0 BEADMN OCCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000171620247 183051554 /nfs/dbraw/zinc/05/15/54/183051554.db2.gz PXROJCGRURQWSH-UHFFFAOYSA-N 0 1 244.338 2.299 20 0 BEADMN OCCCN1CCc2cc(Cl)ccc2C1 ZINC000276773538 183056297 /nfs/dbraw/zinc/05/62/97/183056297.db2.gz HWILZTUZGMMGIT-UHFFFAOYSA-N 0 1 225.719 2.081 20 0 BEADMN OCCN(Cc1ccccc1)Cc1ccncc1 ZINC000049752769 183070814 /nfs/dbraw/zinc/07/08/14/183070814.db2.gz XUIPIXWJSLMXLH-UHFFFAOYSA-N 0 1 242.322 2.076 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000174533033 168995273 /nfs/dbraw/zinc/99/52/73/168995273.db2.gz IKTGVBDDOLZTRU-UWVGGRQHSA-N 0 1 238.335 2.198 20 0 BEADMN OCC[C@@H](NCc1ccon1)C1CCCCC1 ZINC000183720710 183091341 /nfs/dbraw/zinc/09/13/41/183091341.db2.gz YGSCWZRGRIUHNA-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN OCC[C@@H]1CSCCN1Cc1ccsc1 ZINC000355088426 183095494 /nfs/dbraw/zinc/09/54/94/183095494.db2.gz OHQSUZFLCSLJRX-LLVKDONJSA-N 0 1 243.397 2.048 20 0 BEADMN OC[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000183665515 183107860 /nfs/dbraw/zinc/10/78/60/183107860.db2.gz NFLJGOKHJJSPBH-TZOMUSMUSA-N 0 1 211.692 2.062 20 0 BEADMN OC[C@@]1(F)CCN(CCCc2ccsc2)C1 ZINC000338591872 183134915 /nfs/dbraw/zinc/13/49/15/183134915.db2.gz DFFFQZCKBHRZMN-GFCCVEGCSA-N 0 1 243.347 2.087 20 0 BEADMN OC[C@H](NCCC(F)(F)F)c1ccsc1 ZINC000308958935 183140248 /nfs/dbraw/zinc/14/02/48/183140248.db2.gz YIANPNWJLZETOZ-QMMMGPOBSA-N 0 1 239.262 2.324 20 0 BEADMN OC[C@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000359623781 183141024 /nfs/dbraw/zinc/14/10/24/183141024.db2.gz FSNMPRMELFUZPP-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN OC[C@H](NCc1cccc(O)c1)c1ccccc1 ZINC000062999553 183141556 /nfs/dbraw/zinc/14/15/56/183141556.db2.gz HKMZEXCNWFEVOO-HNNXBMFYSA-N 0 1 243.306 2.215 20 0 BEADMN OCc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000269401623 183163842 /nfs/dbraw/zinc/16/38/42/183163842.db2.gz DKAQKDCCDLVKTB-CQSZACIVSA-N 0 1 246.310 2.437 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000354800464 169076106 /nfs/dbraw/zinc/07/61/06/169076106.db2.gz DVSXSVYSMGZKEY-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN O[C@@H]1CN(Cc2cccc(Cl)c2)CC12CC2 ZINC000336546041 183207067 /nfs/dbraw/zinc/20/70/67/183207067.db2.gz UGPXWACSAMQVCB-GFCCVEGCSA-N 0 1 237.730 2.297 20 0 BEADMN O[C@@H]1CCCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000336627790 183194395 /nfs/dbraw/zinc/19/43/95/183194395.db2.gz PTDKZJJOMKGAPM-CYBMUJFWSA-N 0 1 248.301 2.264 20 0 BEADMN O[C@@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000336325150 183194590 /nfs/dbraw/zinc/19/45/90/183194590.db2.gz UXNKMLWYAPDOQG-SECBINFHSA-N 0 1 229.707 2.280 20 0 BEADMN O[C@H](CNCc1ccsc1Cl)C(F)F ZINC000336660057 183224235 /nfs/dbraw/zinc/22/42/35/183224235.db2.gz REQBTSIOXOSZPM-ZCFIWIBFSA-N 0 1 241.690 2.117 20 0 BEADMN CCCN(C/C=C/c1ccccc1)CC(=O)NC ZINC000124036456 169090736 /nfs/dbraw/zinc/09/07/36/169090736.db2.gz SCUAFSGFPBDWBF-JXMROGBWSA-N 0 1 246.354 2.158 20 0 BEADMN CCCN([C@H](CC)C(=O)OCC)C1CC1 ZINC000082760989 169091474 /nfs/dbraw/zinc/09/14/74/169091474.db2.gz YTNGITYBCITMHJ-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN CCCN(CC(=O)OCC)CC1(C)CCC1 ZINC000336660373 169101161 /nfs/dbraw/zinc/10/11/61/169101161.db2.gz JQAILRPGZCPJLT-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000184928478 169099029 /nfs/dbraw/zinc/09/90/29/169099029.db2.gz UURNNVPIHHVPTL-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(Cl)n1 ZINC000184922679 169099100 /nfs/dbraw/zinc/09/91/00/169099100.db2.gz ORXZQXHMWCCEAO-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc(Cl)cc1 ZINC000339708503 169110070 /nfs/dbraw/zinc/11/00/70/169110070.db2.gz TYBLOWZVAQNKOD-UHFFFAOYSA-N 0 1 240.734 2.037 20 0 BEADMN CCCN(CC)C(=O)c1c(O)cccc1F ZINC000228842249 169117873 /nfs/dbraw/zinc/11/78/73/169117873.db2.gz GHUFZLZHONHNHK-UHFFFAOYSA-N 0 1 225.263 2.403 20 0 BEADMN CCCN(CC)C(=O)c1cnccc1N(C)C ZINC000273633177 169119077 /nfs/dbraw/zinc/11/90/77/169119077.db2.gz XOYNREQMYCNGFU-UHFFFAOYSA-N 0 1 235.331 2.020 20 0 BEADMN O[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000270992216 183234307 /nfs/dbraw/zinc/23/43/07/183234307.db2.gz ILGRVDKVMPQLJF-YOUVMVQBSA-N 0 1 235.302 2.296 20 0 BEADMN O[C@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000336325151 183234964 /nfs/dbraw/zinc/23/49/64/183234964.db2.gz UXNKMLWYAPDOQG-VIFPVBQESA-N 0 1 229.707 2.280 20 0 BEADMN O[C@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000293161089 183235535 /nfs/dbraw/zinc/23/55/35/183235535.db2.gz OSGDIMKXTQKELX-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN CCCN(CCC)Cc1nnc2n1CCCC2 ZINC000371488870 169150196 /nfs/dbraw/zinc/15/01/96/169150196.db2.gz WCLWLQKKFBWMQJ-UHFFFAOYSA-N 0 1 236.363 2.236 20 0 BEADMN CCCN(CCC)C(=O)c1cc(CC)[nH]n1 ZINC000097218319 169144035 /nfs/dbraw/zinc/14/40/35/169144035.db2.gz AGCSLOLPDAEJOG-UHFFFAOYSA-N 0 1 223.320 2.234 20 0 BEADMN CCCN(CCC)C(=O)c1ccc(CN)o1 ZINC000011628074 169145409 /nfs/dbraw/zinc/14/54/09/169145409.db2.gz PRXYLPHAXQQZHU-UHFFFAOYSA-N 0 1 224.304 2.001 20 0 BEADMN CCCN(CCC)C(=O)c1coc(CN)c1 ZINC000187188578 169145423 /nfs/dbraw/zinc/14/54/23/169145423.db2.gz PRDVDOXKEYNCPO-UHFFFAOYSA-N 0 1 224.304 2.001 20 0 BEADMN CCCN(CCC)C(=O)c1cnccc1N(C)C ZINC000352425550 169145693 /nfs/dbraw/zinc/14/56/93/169145693.db2.gz ZTXCLPTYXATCAX-UHFFFAOYSA-N 0 1 249.358 2.410 20 0 BEADMN Cc1cc(CCC(=O)N(C)c2ccsc2)n[nH]1 ZINC001643988856 1172518071 /nfs/dbraw/zinc/51/80/71/1172518071.db2.gz DOZCLQGODMIPDG-UHFFFAOYSA-N 0 1 249.339 2.375 20 0 BEADMN Oc1cccc(CN2CCC[C@H]2CF)c1 ZINC000293928260 183289935 /nfs/dbraw/zinc/28/99/35/183289935.db2.gz HECQMZTZEDENTF-NSHDSACASA-N 0 1 209.264 2.326 20 0 BEADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCOC2)c1Cl ZINC000294037940 183291100 /nfs/dbraw/zinc/29/11/00/183291100.db2.gz ILOXMLWMQQKDON-VIFPVBQESA-N 0 1 241.718 2.172 20 0 BEADMN CCCN(CCO)Cc1cc(F)c(F)cc1F ZINC000271038056 169166889 /nfs/dbraw/zinc/16/68/89/169166889.db2.gz LYGFJFJEIRQLQJ-UHFFFAOYSA-N 0 1 247.260 2.308 20 0 BEADMN CCC[N@@H+](CCc1cccc(F)c1)CC(=O)[O-] ZINC000237012153 169169817 /nfs/dbraw/zinc/16/98/17/169169817.db2.gz HJZYIQGFIGXVCR-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN CCC[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000038021724 169171013 /nfs/dbraw/zinc/17/10/13/169171013.db2.gz PPFVOZJFSKYMOY-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN c1nc(NC[C@H]2CCCOC2)cc2c1CCCC2 ZINC000361252275 183320319 /nfs/dbraw/zinc/32/03/19/183320319.db2.gz OMTZUVQXEPMXFT-GFCCVEGCSA-N 0 1 246.354 2.221 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000124302011 169199648 /nfs/dbraw/zinc/19/96/48/169199648.db2.gz GRHJRQUOLVSVOM-LBPRGKRZSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(C(=O)Oc2ccccc2)CC1 ZINC000058848592 169201140 /nfs/dbraw/zinc/20/11/40/169201140.db2.gz HSTCAMBRBLKNOO-UHFFFAOYSA-N 0 1 248.326 2.213 20 0 BEADMN CCCN1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC000356470121 169202068 /nfs/dbraw/zinc/20/20/68/169202068.db2.gz ZPBBAIYRQHYWQB-STQMWFEESA-N 0 1 240.391 2.223 20 0 BEADMN CCCN1CCN(Cc2occc2C)CC1 ZINC000156970827 169202713 /nfs/dbraw/zinc/20/27/13/169202713.db2.gz ORQDAVVTGFMFOS-UHFFFAOYSA-N 0 1 222.332 2.116 20 0 BEADMN CCCN(Cc1ccccc1)CC1OCCO1 ZINC000122131069 169178035 /nfs/dbraw/zinc/17/80/35/169178035.db2.gz IPVMSKXEGSLDEL-UHFFFAOYSA-N 0 1 235.327 2.272 20 0 BEADMN CCCN(Cc1cn2cccnc2n1)C1CC1 ZINC000171680288 169179473 /nfs/dbraw/zinc/17/94/73/169179473.db2.gz LDZKWDURGHRXGL-UHFFFAOYSA-N 0 1 230.315 2.104 20 0 BEADMN c1cc(C2CCN(Cc3c[nH]nn3)CC2)cs1 ZINC000294893768 183337143 /nfs/dbraw/zinc/33/71/43/183337143.db2.gz ACXVEBQKLNYJOO-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN c1cc(CN2CCCC3(CCC3)C2)n[nH]1 ZINC000366277442 183340058 /nfs/dbraw/zinc/34/00/58/183340058.db2.gz BHQVIKAPTJHAEZ-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN CCCNC(=O)CN[C@@H](CC)c1ccsc1 ZINC000294153441 169227712 /nfs/dbraw/zinc/22/77/12/169227712.db2.gz AFHJPWIXTFZCNC-NSHDSACASA-N 0 1 240.372 2.315 20 0 BEADMN c1cc([C@H]2CCCN2Cc2c[nH]nn2)cs1 ZINC000295458468 183363305 /nfs/dbraw/zinc/36/33/05/183363305.db2.gz HPTVLAPSGYXWPU-LLVKDONJSA-N 0 1 234.328 2.203 20 0 BEADMN c1nc(CN[C@@H]2CCOC2)c(-c2ccccc2)o1 ZINC000370558497 183385450 /nfs/dbraw/zinc/38/54/50/183385450.db2.gz PPRSUOPFBJPYMT-GFCCVEGCSA-N 0 1 244.294 2.220 20 0 BEADMN c1cc2cc(N[C@@H]3CCOC3)ccc2cn1 ZINC000296604576 183374326 /nfs/dbraw/zinc/37/43/26/183374326.db2.gz RPIUBXNZRFXFIJ-CYBMUJFWSA-N 0 1 214.268 2.436 20 0 BEADMN c1ccc(CN(C[C@@H]2CCCO2)C2CC2)nc1 ZINC000272550829 183397284 /nfs/dbraw/zinc/39/72/84/183397284.db2.gz MEPBICAXPOUOJI-AWEZNQCLSA-N 0 1 232.327 2.225 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CC2CCC1CC2 ZINC000371394146 169299311 /nfs/dbraw/zinc/29/93/11/169299311.db2.gz XHLWTHXUGTXWQY-UNXYVOJBSA-N 0 1 225.332 2.203 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC2CCC1CC2 ZINC000371394146 169299313 /nfs/dbraw/zinc/29/93/13/169299313.db2.gz XHLWTHXUGTXWQY-UNXYVOJBSA-N 0 1 225.332 2.203 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1C1CC1 ZINC000369621852 169299457 /nfs/dbraw/zinc/29/94/57/169299457.db2.gz MAOOMMXHBWPAGF-JQWIXIFHSA-N 0 1 225.332 2.203 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCNC[C@H]1CCC ZINC000359244756 169349418 /nfs/dbraw/zinc/34/94/18/169349418.db2.gz ROFBYFDLQDCJOT-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H](C)CC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286415198 169356692 /nfs/dbraw/zinc/35/66/92/169356692.db2.gz PIVUYGVYXFLQGD-BDAKNGLRSA-N 0 1 238.335 2.117 20 0 BEADMN CCC[C@@H](C)CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356282297 169358563 /nfs/dbraw/zinc/35/85/63/169358563.db2.gz PAELHKBZKXHDGX-DGCLKSJQSA-N 0 1 239.359 2.103 20 0 BEADMN CCC[C@@H](NC(=O)CN(C)C)c1ccccc1 ZINC000170710898 169395761 /nfs/dbraw/zinc/39/57/61/169395761.db2.gz ITGUCOONFVFCIE-CYBMUJFWSA-N 0 1 234.343 2.206 20 0 BEADMN CO[C@H](C)CSc1nc(C(C)(C)C)n[nH]1 ZINC000180759325 134331177 /nfs/dbraw/zinc/33/11/77/134331177.db2.gz SASSETLWOJLBCV-SSDOTTSWSA-N 0 1 229.349 2.229 20 0 BEADMN CO[C@H](C)CSc1n[nH]c(C(C)(C)C)n1 ZINC000180759325 134331178 /nfs/dbraw/zinc/33/11/78/134331178.db2.gz SASSETLWOJLBCV-SSDOTTSWSA-N 0 1 229.349 2.229 20 0 BEADMN Cc1cc2[nH]nnc2cc1Br ZINC000059379953 1172532857 /nfs/dbraw/zinc/53/28/57/1172532857.db2.gz IUMXSOZTOJXFPI-UHFFFAOYSA-N 0 1 212.050 2.029 20 0 BEADMN Cc1cc2nn[nH]c2cc1Br ZINC000059379953 1172532860 /nfs/dbraw/zinc/53/28/60/1172532860.db2.gz IUMXSOZTOJXFPI-UHFFFAOYSA-N 0 1 212.050 2.029 20 0 BEADMN CN(C)CC(=O)NCc1cccc2ccccc21 ZINC000193550784 259605542 /nfs/dbraw/zinc/60/55/42/259605542.db2.gz OPDJVSQTGPZFKH-UHFFFAOYSA-N 0 1 242.322 2.018 20 0 BEADMN CC(C)CN(CC1=NOCC1)Cc1ccccn1 ZINC001644604393 1172576863 /nfs/dbraw/zinc/57/68/63/1172576863.db2.gz FMALRXHEOAZMJC-UHFFFAOYSA-N 0 1 247.342 2.316 20 0 BEADMN CCCCCN1CCN(CC(C)(F)F)CC1 ZINC001644656745 1172583073 /nfs/dbraw/zinc/58/30/73/1172583073.db2.gz FFRJCCMEKBVUHF-UHFFFAOYSA-N 0 1 234.334 2.449 20 0 BEADMN CC[C@@H](O)CCNCc1ncc(Cl)s1 ZINC000225367472 134354654 /nfs/dbraw/zinc/35/46/54/134354654.db2.gz YDSUAGDZRDXXKA-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN COC[C@H](C)CNCc1ncc(Cl)s1 ZINC000225331079 134354690 /nfs/dbraw/zinc/35/46/90/134354690.db2.gz DBCPEBRUHPBIKY-SSDOTTSWSA-N 0 1 234.752 2.169 20 0 BEADMN Clc1cnc(CN[C@@H]2CCSC2)s1 ZINC000225360132 134354817 /nfs/dbraw/zinc/35/48/17/134354817.db2.gz JYPBZQPOGXOQGA-ZCFIWIBFSA-N 0 1 234.777 2.392 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C2CC2)s1 ZINC000680051292 487528424 /nfs/dbraw/zinc/52/84/24/487528424.db2.gz NMLLSWXWAVLWKD-JTQLQIEISA-N 0 1 237.372 2.475 20 0 BEADMN C[C@@H](O)[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC001644873950 1172616082 /nfs/dbraw/zinc/61/60/82/1172616082.db2.gz YNNNTDUHUHXSLK-VHSXEESVSA-N 0 1 234.299 2.029 20 0 BEADMN CCCCN(CCO)Cc1nc(C)c(C)s1 ZINC000087396308 383837556 /nfs/dbraw/zinc/83/75/56/383837556.db2.gz XVDUPHALAZTJST-UHFFFAOYSA-N 0 1 242.388 2.354 20 0 BEADMN CCc1cnccc1-c1nc([C@H]2CCCN2)no1 ZINC000647145002 383839374 /nfs/dbraw/zinc/83/93/74/383839374.db2.gz LIPHMFGXIBOAQD-LLVKDONJSA-N 0 1 244.298 2.119 20 0 BEADMN C[C@@H](NCC(=O)N(C)C)c1ccc(Cl)s1 ZINC000035286420 383847701 /nfs/dbraw/zinc/84/77/01/383847701.db2.gz RCESXKBRYRBCNT-SSDOTTSWSA-N 0 1 246.763 2.140 20 0 BEADMN [O-]c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(F)c1 ZINC000647145913 383848301 /nfs/dbraw/zinc/84/83/01/383848301.db2.gz IMBSATWPCVXIJJ-JTQLQIEISA-N 0 1 249.245 2.006 20 0 BEADMN C1=C[C@@H](Cc2nc([C@@H]3CCCN3)no2)CCC1 ZINC000647146315 383853264 /nfs/dbraw/zinc/85/32/64/383853264.db2.gz RWZKRQHDRRZDCM-MNOVXSKESA-N 0 1 233.315 2.393 20 0 BEADMN CSCc1nc(C2(N)CCCCC2)no1 ZINC000070004873 383858278 /nfs/dbraw/zinc/85/82/78/383858278.db2.gz QYKRLMCWLMWVEJ-UHFFFAOYSA-N 0 1 227.333 2.051 20 0 BEADMN CC(=O)Nc1cccc([C@@H](C)NCCF)c1 ZINC000087774815 383864141 /nfs/dbraw/zinc/86/41/41/383864141.db2.gz XSTTZJKLVZWZMU-SECBINFHSA-N 0 1 224.279 2.265 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000111659903 383872309 /nfs/dbraw/zinc/87/23/09/383872309.db2.gz JXRULFMCIPAPLB-ZIAGYGMSSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1nnc([C@H](C)NCC2CCC2)s1 ZINC000308644265 383877967 /nfs/dbraw/zinc/87/79/67/383877967.db2.gz GRDAGRYCYDCPEM-ZETCQYMHSA-N 0 1 211.334 2.297 20 0 BEADMN CC(C)c1ccc(C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000088059093 383878542 /nfs/dbraw/zinc/87/85/42/383878542.db2.gz XQMARLHZUDZLGX-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN CCc1cccc(-c2nc([C@H]3CCCN3)no2)n1 ZINC000647143744 383828414 /nfs/dbraw/zinc/82/84/14/383828414.db2.gz ADZCBSQZRIMRBK-SNVBAGLBSA-N 0 1 244.298 2.119 20 0 BEADMN CCc1cccc(-c2nc([C@@H]3CCCN3)no2)n1 ZINC000647143743 383828923 /nfs/dbraw/zinc/82/89/23/383828923.db2.gz ADZCBSQZRIMRBK-JTQLQIEISA-N 0 1 244.298 2.119 20 0 BEADMN C[C@@]1(c2nc([C@H]3CCCN3)no2)CC=CCC1 ZINC000647144112 383832682 /nfs/dbraw/zinc/83/26/82/383832682.db2.gz MPBSTMFKTUNJDW-ZWNOBZJWSA-N 0 1 233.315 2.492 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCO2)sc1C ZINC000087375566 383834396 /nfs/dbraw/zinc/83/43/96/383834396.db2.gz WLPGMGGWKXEQPT-GXSJLCMTSA-N 0 1 240.372 2.417 20 0 BEADMN CC[C@H](N[C@@H](C)c1csnn1)C1CC1 ZINC000398316046 383917248 /nfs/dbraw/zinc/91/72/48/383917248.db2.gz FDSWSOYLTFHULO-CBAPKCEASA-N 0 1 211.334 2.377 20 0 BEADMN Cn1nccc1CN[C@H]1CCCc2occc21 ZINC000036901304 383917496 /nfs/dbraw/zinc/91/74/96/383917496.db2.gz FNMMLOJQBRSZTA-LBPRGKRZSA-N 0 1 231.299 2.180 20 0 BEADMN Cc1n[nH]cc1CNc1cc2c(cn1)CCC2 ZINC000559350918 383924578 /nfs/dbraw/zinc/92/45/78/383924578.db2.gz CWGWVGKQFHUZJT-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cc(F)ccc1F ZINC000293841267 383887900 /nfs/dbraw/zinc/88/79/00/383887900.db2.gz IXYYZXNWFWZPND-NSHDSACASA-N 0 1 229.270 2.168 20 0 BEADMN C1[C@@H](c2nc([C@H]3CCCN3)no2)C12CCC2 ZINC000647147963 383888217 /nfs/dbraw/zinc/88/82/17/383888217.db2.gz CCVHOIGYTDUZIR-DTWKUNHWSA-N 0 1 219.288 2.152 20 0 BEADMN CC[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)O1 ZINC000647148242 383888326 /nfs/dbraw/zinc/88/83/26/383888326.db2.gz JYMBKPMUOHHMSX-OPRDCNLKSA-N 0 1 237.303 2.124 20 0 BEADMN CCn1nnc(C)c1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000449337035 383892801 /nfs/dbraw/zinc/89/28/01/383892801.db2.gz PAKGWQZHEWQWKE-ZDUSSCGKSA-N 0 1 248.374 2.227 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000558400276 383981917 /nfs/dbraw/zinc/98/19/17/383981917.db2.gz JESVRGYZNSWNMS-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000558400276 383981922 /nfs/dbraw/zinc/98/19/22/383981922.db2.gz JESVRGYZNSWNMS-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H](NC1CCC(C(=O)OC)CC1)C(F)F ZINC000449362321 383982309 /nfs/dbraw/zinc/98/23/09/383982309.db2.gz MQGXUMPIPFZKFH-RTBKNWGFSA-N 0 1 249.301 2.352 20 0 BEADMN CC(C)c1cnc(N2CCN(C)C[C@@H]2C)s1 ZINC000336483922 383992904 /nfs/dbraw/zinc/99/29/04/383992904.db2.gz LAODJYOHVVBUFH-JTQLQIEISA-N 0 1 239.388 2.407 20 0 BEADMN Cc1cc(C)cc(OCCNCc2ncc[nH]2)c1 ZINC000067694173 383935986 /nfs/dbraw/zinc/93/59/86/383935986.db2.gz KBSGOMYXEDIYOK-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1noc(C)c1CN[C@H]1C[C@@H]1C(F)F ZINC000348210284 383939012 /nfs/dbraw/zinc/93/90/12/383939012.db2.gz MKXBMHOHNZPDIP-CBAPKCEASA-N 0 1 216.231 2.035 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000345350778 383946656 /nfs/dbraw/zinc/94/66/56/383946656.db2.gz OLODJOAMVFOREG-YFKTTZPYSA-N 0 1 235.331 2.046 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCc2ccsc2C1 ZINC000569370586 383954882 /nfs/dbraw/zinc/95/48/82/383954882.db2.gz IGWXJMXDCDYTJR-UHFFFAOYSA-N 0 1 239.340 2.361 20 0 BEADMN c1cc(CN2CC[C@H](Oc3ccccc3)C2)on1 ZINC000363408651 383955900 /nfs/dbraw/zinc/95/59/00/383955900.db2.gz SWPCSRJOULUJEV-ZDUSSCGKSA-N 0 1 244.294 2.328 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2CO[C@H](C)C2)o1 ZINC000647212795 383957839 /nfs/dbraw/zinc/95/78/39/383957839.db2.gz XTTLSFYNPZMEHP-MWLCHTKSSA-N 0 1 238.331 2.203 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2CO[C@@H](C)C2)o1 ZINC000647212796 383958683 /nfs/dbraw/zinc/95/86/83/383958683.db2.gz XTTLSFYNPZMEHP-ONGXEEELSA-N 0 1 238.331 2.203 20 0 BEADMN C[C@H](NCCO)c1ccc(F)cc1Cl ZINC000037250583 383965745 /nfs/dbraw/zinc/96/57/45/383965745.db2.gz AYOQJXCJLSHKLV-ZETCQYMHSA-N 0 1 217.671 2.122 20 0 BEADMN Cc1cnc(C(=O)Nc2cnccc2C)c(O)c1 ZINC000358600863 383974753 /nfs/dbraw/zinc/97/47/53/383974753.db2.gz LYHIWBLYJXODIU-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000037389315 383975331 /nfs/dbraw/zinc/97/53/31/383975331.db2.gz YNSRRDFBZZSOLP-UHFFFAOYSA-N 0 1 237.274 2.265 20 0 BEADMN Cc1ccc(CN(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000068875549 384019278 /nfs/dbraw/zinc/01/92/78/384019278.db2.gz WIEIHBXARDBHBX-LLVKDONJSA-N 0 1 247.260 2.350 20 0 BEADMN Cc1nc(F)ccc1CNCc1ccoc1 ZINC000278531866 384005995 /nfs/dbraw/zinc/00/59/95/384005995.db2.gz RWGNXZJDEMYSDU-UHFFFAOYSA-N 0 1 220.247 2.412 20 0 BEADMN Clc1ccc(N2CCN(C3CC3)CC2)nc1 ZINC000090345207 384009837 /nfs/dbraw/zinc/00/98/37/384009837.db2.gz YKSWLYPDHIXQFH-UHFFFAOYSA-N 0 1 237.734 2.019 20 0 BEADMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)[O-] ZINC000075924554 384043638 /nfs/dbraw/zinc/04/36/38/384043638.db2.gz HUUCCVFSHOPCCM-VIFPVBQESA-N 0 1 241.718 2.287 20 0 BEADMN CN(CCN(C)Cc1ccco1)Cc1ccco1 ZINC000114712806 384049889 /nfs/dbraw/zinc/04/98/89/384049889.db2.gz KVOGGGFETLNVKG-UHFFFAOYSA-N 0 1 248.326 2.436 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCc1cccs1 ZINC000037990429 384050735 /nfs/dbraw/zinc/05/07/35/384050735.db2.gz RDLOAFJQMVARAV-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN C(=C\c1nc([C@@H]2CCCN2)no1)\c1ccco1 ZINC000647155691 384032016 /nfs/dbraw/zinc/03/20/16/384032016.db2.gz FBGDGZAVPVALAO-OMMCCPJFSA-N 0 1 231.255 2.258 20 0 BEADMN Cc1nnc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)n1C ZINC000336511907 384034943 /nfs/dbraw/zinc/03/49/43/384034943.db2.gz XFGGHCNIGKMXJY-BXUZGUMPSA-N 0 1 248.374 2.136 20 0 BEADMN CCN(CC1CC1)C(=O)[C@@](C)(N)c1ccccc1 ZINC000069238229 384036134 /nfs/dbraw/zinc/03/61/34/384036134.db2.gz AYUYEQUBIIBBQT-HNNXBMFYSA-N 0 1 246.354 2.119 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1ccoc1 ZINC000087289925 384086296 /nfs/dbraw/zinc/08/62/96/384086296.db2.gz BFZDJWNHEKMBAC-MRVPVSSYSA-N 0 1 205.261 2.162 20 0 BEADMN CSC1(CNC(CF)CF)CCC1 ZINC000449380699 384091908 /nfs/dbraw/zinc/09/19/08/384091908.db2.gz OKPVSLWDFBOTSO-UHFFFAOYSA-N 0 1 209.305 2.169 20 0 BEADMN CCC[C@H](C)[C@@H](CC)NCc1ncn(C)n1 ZINC000090969423 384086481 /nfs/dbraw/zinc/08/64/81/384086481.db2.gz CYIXOGPCPFJOPO-WDEREUQCSA-N 0 1 224.352 2.120 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](OC(C)C)C2)cn1 ZINC000569451714 384059780 /nfs/dbraw/zinc/05/97/80/384059780.db2.gz AWDGUKKPPGQLLG-CHWSQXEVSA-N 0 1 249.358 2.345 20 0 BEADMN CCN(CC1CC1)C(=O)c1cc(C(C)C)[nH]n1 ZINC000069747562 384059983 /nfs/dbraw/zinc/05/99/83/384059983.db2.gz AWIHXHZZOFSAQO-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN COC(=O)c1ccccc1CN(C)C1CC1 ZINC000132099371 384081570 /nfs/dbraw/zinc/08/15/70/384081570.db2.gz SNMDVIUKRNEWGO-UHFFFAOYSA-N 0 1 219.284 2.067 20 0 BEADMN C[C@@H](NCCOC1CCCCC1)c1cnccn1 ZINC000070479719 384115301 /nfs/dbraw/zinc/11/53/01/384115301.db2.gz DDXAZKGBAGGMAW-GFCCVEGCSA-N 0 1 249.358 2.477 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449380701 384093012 /nfs/dbraw/zinc/09/30/12/384093012.db2.gz OKTDGLXAWXVLGL-IJLUTSLNSA-N 0 1 247.329 2.479 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CO[C@@H](C)C2)n1 ZINC000401836147 384094728 /nfs/dbraw/zinc/09/47/28/384094728.db2.gz OVCCHYAMEHRYIK-LPEHRKFASA-N 0 1 226.345 2.280 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CO[C@H](C)C2)n1 ZINC000401836145 384095079 /nfs/dbraw/zinc/09/50/79/384095079.db2.gz OVCCHYAMEHRYIK-KXUCPTDWSA-N 0 1 226.345 2.280 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H](C(C)C)C2)on1 ZINC000569497087 384124128 /nfs/dbraw/zinc/12/41/28/384124128.db2.gz ZKLOPNGNIKVSOZ-LLVKDONJSA-N 0 1 236.315 2.355 20 0 BEADMN CS[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC000092064203 384161606 /nfs/dbraw/zinc/16/16/06/384161606.db2.gz ONQYPVHPZJFESU-LBPRGKRZSA-N 0 1 239.388 2.138 20 0 BEADMN C[N@@H+](CCc1ccc(F)cc1)Cc1cnc[nH]1 ZINC000092150180 384165385 /nfs/dbraw/zinc/16/53/85/384165385.db2.gz DQMAOUPNLIEJRB-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1c[nH]cn1 ZINC000092150180 384165403 /nfs/dbraw/zinc/16/54/03/384165403.db2.gz DQMAOUPNLIEJRB-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN Cc1ccc([C@H](C)[N@@H+](C)Cc2n[nH]c(=O)[n-]2)cc1 ZINC000092617476 384185959 /nfs/dbraw/zinc/18/59/59/384185959.db2.gz XESWEHBGKXYUTH-JTQLQIEISA-N 0 1 246.314 2.012 20 0 BEADMN C[C@H]1SCCN(Cc2cccnc2)[C@H]1C ZINC000118533550 384202576 /nfs/dbraw/zinc/20/25/76/384202576.db2.gz BUSVYWGLSLBPAH-WDEREUQCSA-N 0 1 222.357 2.407 20 0 BEADMN Fc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000072043913 384196044 /nfs/dbraw/zinc/19/60/44/384196044.db2.gz UZXWVAQRGHMKGA-UHFFFAOYSA-N 0 1 234.318 2.106 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000163661813 384209114 /nfs/dbraw/zinc/20/91/14/384209114.db2.gz HQTHMMBWULDTMM-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN CN(Cc1cc(F)c(F)c(F)c1)[C@@H]1CCOC1 ZINC000132118029 384216079 /nfs/dbraw/zinc/21/60/79/384216079.db2.gz BROMSPAFANMQTL-SECBINFHSA-N 0 1 245.244 2.325 20 0 BEADMN Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250065 384219396 /nfs/dbraw/zinc/21/93/96/384219396.db2.gz POEMZTNLXUBICX-LLVKDONJSA-N 0 1 221.300 2.463 20 0 BEADMN COC[C@H](C)N1CCc2cc(F)ccc2C1 ZINC000119003717 384224424 /nfs/dbraw/zinc/22/44/24/384224424.db2.gz HLKZDQRKSLHQNO-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN CC[C@]1(C)CCCN(Cc2cc[nH]n2)C1 ZINC000093459067 384242579 /nfs/dbraw/zinc/24/25/79/384242579.db2.gz JTZCVVFIQRKJHB-GFCCVEGCSA-N 0 1 207.321 2.422 20 0 BEADMN C[C@@H]1SCCN(Cc2cncs2)[C@H]1C ZINC000093499868 384244897 /nfs/dbraw/zinc/24/48/97/384244897.db2.gz BWRFQPCCRXSCPZ-IUCAKERBSA-N 0 1 228.386 2.469 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1Cc1ccc(CO)o1 ZINC000093500993 384246240 /nfs/dbraw/zinc/24/62/40/384246240.db2.gz JVUFQMDIWWDCHL-ZJUUUORDSA-N 0 1 241.356 2.098 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])s1 ZINC000082718118 384258550 /nfs/dbraw/zinc/25/85/50/384258550.db2.gz CRARODJGUGRGEQ-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN Cc1csc(CN[C@H](C)[C@H]2CCCO2)n1 ZINC000082725387 384259776 /nfs/dbraw/zinc/25/97/76/384259776.db2.gz QMZQMTUAGXFJDV-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2coc(CN)c2)C1 ZINC000187424383 384262839 /nfs/dbraw/zinc/26/28/39/384262839.db2.gz WSVNMQPKLKPBMM-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC(F)(F)C1 ZINC000313335710 384266951 /nfs/dbraw/zinc/26/69/51/384266951.db2.gz OKQKLMJNGICDQV-UHFFFAOYSA-N 0 1 245.200 2.013 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)co1 ZINC000187514750 384270582 /nfs/dbraw/zinc/27/05/82/384270582.db2.gz QZTYHVAXMGKKIL-GXFFZTMASA-N 0 1 248.326 2.143 20 0 BEADMN Cc1noc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000082858824 384271722 /nfs/dbraw/zinc/27/17/22/384271722.db2.gz FCFBMOXVRIDPRW-ATZCPNFKSA-N 0 1 223.320 2.292 20 0 BEADMN CC[N@@H+](CCOC(C)C)CCc1nccs1 ZINC000159146665 384307558 /nfs/dbraw/zinc/30/75/58/384307558.db2.gz QZJXXKSNRCNGSR-UHFFFAOYSA-N 0 1 242.388 2.433 20 0 BEADMN Cc1noc(C)c1CN(C)[C@H]1CCSC1 ZINC000119911930 384316068 /nfs/dbraw/zinc/31/60/68/384316068.db2.gz VHQWMIYLTXIDPC-JTQLQIEISA-N 0 1 226.345 2.229 20 0 BEADMN COC[C@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000119974223 384320385 /nfs/dbraw/zinc/32/03/85/384320385.db2.gz HPMHBIJRRBTMLC-VIFPVBQESA-N 0 1 230.739 2.145 20 0 BEADMN COC[C@H](C)N(C)Cc1cc(Cl)cn1C ZINC000119974223 384320391 /nfs/dbraw/zinc/32/03/91/384320391.db2.gz HPMHBIJRRBTMLC-VIFPVBQESA-N 0 1 230.739 2.145 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000336634538 384283602 /nfs/dbraw/zinc/28/36/02/384283602.db2.gz CVZJNGCIDSRILI-DGCLKSJQSA-N 0 1 219.332 2.483 20 0 BEADMN C[C@H](N[C@@H](C)C(C)(F)F)C1CCOCC1 ZINC000449411176 384292892 /nfs/dbraw/zinc/29/28/92/384292892.db2.gz AGZJAYYHQQADTJ-IUCAKERBSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](CN[C@@H](C)c1ccccn1)[N@@H+](C)C1CC1 ZINC000159023373 384297779 /nfs/dbraw/zinc/29/77/79/384297779.db2.gz DVKMZPWOSJNCRG-NEPJUHHUSA-N 0 1 233.359 2.215 20 0 BEADMN CC[C@H](O)CNCc1ncc(C(C)(C)C)s1 ZINC000291659149 384298019 /nfs/dbraw/zinc/29/80/19/384298019.db2.gz DUUKUEAAOASSPX-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN CCc1ccccc1C[N@@H+](C)CCC(=O)[O-] ZINC000083410191 384301144 /nfs/dbraw/zinc/30/11/44/384301144.db2.gz GDFLDCLMROMSGN-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CCOc1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000063446433 384348958 /nfs/dbraw/zinc/34/89/58/384348958.db2.gz LOGJJLSCVFLSLA-UHFFFAOYSA-N 0 1 245.282 2.369 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275440751 384374027 /nfs/dbraw/zinc/37/40/27/384374027.db2.gz ADGLJHLRWWDVAV-RYUDHWBXSA-N 0 1 244.342 2.269 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccncc1Cl ZINC000084085753 384364948 /nfs/dbraw/zinc/36/49/48/384364948.db2.gz KSFNUBWMXOSWHO-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCCCC3)no2)C[C@H]1F ZINC000335619372 384395233 /nfs/dbraw/zinc/39/52/33/384395233.db2.gz WXTAXYDHMAPZPS-LDYMZIIASA-N 0 1 239.294 2.187 20 0 BEADMN Cc1nccc(NC[C@H]2CCCOC2)c1Cl ZINC000334216240 384397046 /nfs/dbraw/zinc/39/70/46/384397046.db2.gz UWGGTBVFSOJZRO-SNVBAGLBSA-N 0 1 240.734 2.304 20 0 BEADMN CC(=O)c1cc(CN(C)[C@H]2CC[C@H](C)C2)on1 ZINC000566417354 384417381 /nfs/dbraw/zinc/41/73/81/384417381.db2.gz XOXFBGCSQQYIRU-ONGXEEELSA-N 0 1 236.315 2.498 20 0 BEADMN Nc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cn1 ZINC000647512776 384417934 /nfs/dbraw/zinc/41/79/34/384417934.db2.gz AKIXZDWXVKITEX-ZDUSSCGKSA-N 0 1 242.326 2.159 20 0 BEADMN CCCNC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000174926673 384381381 /nfs/dbraw/zinc/38/13/81/384381381.db2.gz ZWWPFDQHFZCJQA-UHFFFAOYSA-N 0 1 245.326 2.330 20 0 BEADMN Cc1ccc(CN2CC(C3CC3)C2)nc1 ZINC000643345881 384425409 /nfs/dbraw/zinc/42/54/09/384425409.db2.gz RWGQAGIGFGXCCM-UHFFFAOYSA-N 0 1 202.301 2.232 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC000335617946 384389110 /nfs/dbraw/zinc/38/91/10/384389110.db2.gz NKVUGCROZYHVSL-RKDXNWHRSA-N 0 1 227.739 2.352 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1c1ccccc1 ZINC000078805490 384391510 /nfs/dbraw/zinc/39/15/10/384391510.db2.gz ACDKMMMTFDEBRN-CYBMUJFWSA-N 0 1 241.294 2.387 20 0 BEADMN C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000078499621 384448883 /nfs/dbraw/zinc/44/88/83/384448883.db2.gz LQOVPPAKHIFXCL-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN CN(CC(=O)OC(C)(C)C)C(C)(C)C ZINC000201095094 384450869 /nfs/dbraw/zinc/45/08/69/384450869.db2.gz RSNUGBQDXBWLBS-UHFFFAOYSA-N 0 1 201.310 2.058 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H](c2ccccc2)C1 ZINC000121683057 384431787 /nfs/dbraw/zinc/43/17/87/384431787.db2.gz KVGPACBWXWKCHP-LBPRGKRZSA-N 0 1 241.294 2.039 20 0 BEADMN COC(=O)c1occc1CN(C)CCC1CC1 ZINC000135283794 384432060 /nfs/dbraw/zinc/43/20/60/384432060.db2.gz QLFLLFOKUIJRQV-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CC[C@H](C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000181137882 384457319 /nfs/dbraw/zinc/45/73/19/384457319.db2.gz DHOKIERRQWBJPK-UWVGGRQHSA-N 0 1 238.297 2.353 20 0 BEADMN Cc1n[nH]c(C)c1CN[C@@H]1CCC[C@@H]1F ZINC000334363676 384460813 /nfs/dbraw/zinc/46/08/13/384460813.db2.gz FNCCMQCSMNYPDX-WDEREUQCSA-N 0 1 211.284 2.007 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CC(C)(C)OC ZINC000404230813 384463647 /nfs/dbraw/zinc/46/36/47/384463647.db2.gz GWFIGXQIXGZECP-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@H](O)CCNCc1c(F)cccc1Cl ZINC000078780900 384464414 /nfs/dbraw/zinc/46/44/14/384464414.db2.gz QRYLIHARUMHJCO-QMMMGPOBSA-N 0 1 231.698 2.340 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(C)CC(C)(C)OC ZINC000404239687 384465898 /nfs/dbraw/zinc/46/58/98/384465898.db2.gz OGDBFWUEJJRNMF-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccccc1F ZINC000070206789 384468421 /nfs/dbraw/zinc/46/84/21/384468421.db2.gz UAIYHAKZEGNNDU-UHFFFAOYSA-N 0 1 219.219 2.110 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2ccon2)C12CCC2 ZINC000148698972 384470265 /nfs/dbraw/zinc/47/02/65/384470265.db2.gz XQPGUIOFDPIRKF-NWDGAFQWSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@H](Cn1ccnc1)N[C@@H](C)c1cscn1 ZINC000161155509 384471228 /nfs/dbraw/zinc/47/12/28/384471228.db2.gz GDYUOKLBEKLRQL-ZJUUUORDSA-N 0 1 236.344 2.079 20 0 BEADMN CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081123708 384471930 /nfs/dbraw/zinc/47/19/30/384471930.db2.gz HEPVVSJAMYSXSI-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081123711 384472124 /nfs/dbraw/zinc/47/21/24/384472124.db2.gz HEPVVSJAMYSXSI-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN C[C@H](NCC1(O)CCCCC1)c1cscn1 ZINC000161180965 384473975 /nfs/dbraw/zinc/47/39/75/384473975.db2.gz WDUQCHDMNHYLQW-JTQLQIEISA-N 0 1 240.372 2.489 20 0 BEADMN C[C@@H]1C[C@H](NCc2c(F)cccc2F)CO1 ZINC000335663570 384475770 /nfs/dbraw/zinc/47/57/70/384475770.db2.gz NUQKLRXHLTZGDG-BDAKNGLRSA-N 0 1 227.254 2.232 20 0 BEADMN CC[N@@H+](CC(=O)Nc1cc(C)ccc1O)C1CC1 ZINC000135989533 384477245 /nfs/dbraw/zinc/47/72/45/384477245.db2.gz MLXCMHHKTRAEMG-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCN(CC(=O)Nc1cc(C)ccc1O)C1CC1 ZINC000135989533 384477250 /nfs/dbraw/zinc/47/72/50/384477250.db2.gz MLXCMHHKTRAEMG-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCc1cc(C(=O)N2CCCC[C@H]2CC)n[nH]1 ZINC000122349770 384479151 /nfs/dbraw/zinc/47/91/51/384479151.db2.gz DALBPPPDOVDZOB-LLVKDONJSA-N 0 1 235.331 2.377 20 0 BEADMN CCOCCNCc1ccc(Cl)o1 ZINC000037489005 384507786 /nfs/dbraw/zinc/50/77/86/384507786.db2.gz FDGCVZPDBVRKRM-UHFFFAOYSA-N 0 1 203.669 2.059 20 0 BEADMN Cn1cncc1CNC1(c2ccc(F)cc2)CC1 ZINC000356863466 384509829 /nfs/dbraw/zinc/50/98/29/384509829.db2.gz FNAKWYBTHPCQJL-UHFFFAOYSA-N 0 1 245.301 2.338 20 0 BEADMN Cc1ccncc1CN(C)C[C@H]1CC[C@@H](C)O1 ZINC000361413471 384493835 /nfs/dbraw/zinc/49/38/35/384493835.db2.gz QFBCAFOLZNDCQL-TZMCWYRMSA-N 0 1 234.343 2.389 20 0 BEADMN CCN(C)Cc1cc(OC)c(OC)cc1OC ZINC000122843856 384513796 /nfs/dbraw/zinc/51/37/96/384513796.db2.gz NKZJZJVWBVARDO-UHFFFAOYSA-N 0 1 239.315 2.164 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2nccc(C)n2)CC1 ZINC000361422556 384515292 /nfs/dbraw/zinc/51/52/92/384515292.db2.gz MWYUTSFAZWKQLI-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN Cc1cnc(CN2CCC3(CCC3)C2)o1 ZINC000122868364 384516394 /nfs/dbraw/zinc/51/63/94/384516394.db2.gz CKLBFLFIXBULPW-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CC[C@H](c1ccccc1)N(C)CC(=O)N(C)C ZINC000122858981 384516891 /nfs/dbraw/zinc/51/68/91/384516891.db2.gz YWANAXQZXGXGQQ-CYBMUJFWSA-N 0 1 234.343 2.158 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCCSCC1 ZINC000089979892 384517416 /nfs/dbraw/zinc/51/74/16/384517416.db2.gz ZAOBCJBKXJORTN-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ncc(C)cn2)CC1 ZINC000361428022 384532956 /nfs/dbraw/zinc/53/29/56/384532956.db2.gz XJHYNYNOVSDIAR-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN COC[C@@H](C)NCc1c(Cl)cccc1OC ZINC000162014884 384558265 /nfs/dbraw/zinc/55/82/65/384558265.db2.gz NHGUQRNYKRXESB-SECBINFHSA-N 0 1 243.734 2.473 20 0 BEADMN CCC1(C(=O)NCCCc2cn[nH]c2C)CCC1 ZINC000176127427 384562202 /nfs/dbraw/zinc/56/22/02/384562202.db2.gz AKGUEMXSTSKSJW-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCCCC1 ZINC000123172902 384540781 /nfs/dbraw/zinc/54/07/81/384540781.db2.gz KATFJXBPWYQWPU-UHFFFAOYSA-N 0 1 223.247 2.157 20 0 BEADMN CO[C@H](CN[C@H](C)c1cscn1)C(C)C ZINC000271148213 384568311 /nfs/dbraw/zinc/56/83/11/384568311.db2.gz PUDGLWAHDNTTCO-MWLCHTKSSA-N 0 1 228.361 2.465 20 0 BEADMN C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CC1 ZINC000138439124 384572878 /nfs/dbraw/zinc/57/28/78/384572878.db2.gz PZQWUVSSUZBQSZ-SECBINFHSA-N 0 1 243.310 2.020 20 0 BEADMN CCCN[C@H](C)c1ncc(Br)cn1 ZINC000308293384 384573555 /nfs/dbraw/zinc/57/35/55/384573555.db2.gz OQSCANWWSNWFRV-SSDOTTSWSA-N 0 1 244.136 2.300 20 0 BEADMN CCN(CC(=O)NC[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000358046568 384586047 /nfs/dbraw/zinc/58/60/47/384586047.db2.gz VJNUBKRZGKPCTP-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCCc1ccccc1 ZINC000050048279 384587535 /nfs/dbraw/zinc/58/75/35/384587535.db2.gz MYWHIPFZFOEAMB-AWEZNQCLSA-N 0 1 247.338 2.257 20 0 BEADMN Cc1[nH]ncc1CN1CCc2c1cccc2F ZINC000184428469 384605627 /nfs/dbraw/zinc/60/56/27/384605627.db2.gz JGDZHUDVTJJJPF-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN Cc1noc(C)c1CN1CCSC[C@@H]1C ZINC000172589444 384607191 /nfs/dbraw/zinc/60/71/91/384607191.db2.gz QPIYFXZSOZSHNN-QMMMGPOBSA-N 0 1 226.345 2.229 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769441 384614852 /nfs/dbraw/zinc/61/48/52/384614852.db2.gz VKTZMHGVYFCYHB-GRYCIOLGSA-N 0 1 248.326 2.185 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC[C@H]2C)n1 ZINC000162454445 384622759 /nfs/dbraw/zinc/62/27/59/384622759.db2.gz KQGCRBSBJUUPEX-PWSUYJOCSA-N 0 1 249.358 2.413 20 0 BEADMN CC[C@H]1CN([C@@H](C)c2cnccn2)CCS1 ZINC000184589963 384623872 /nfs/dbraw/zinc/62/38/72/384623872.db2.gz OYUYVBFDRCVUSJ-QWRGUYRKSA-N 0 1 237.372 2.365 20 0 BEADMN Cc1noc(-c2ccc(Cl)cc2O)n1 ZINC000022611213 384628860 /nfs/dbraw/zinc/62/88/60/384628860.db2.gz XPTALUMVTKWLHY-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN CN(CC(F)F)C(=O)c1ccc(O)c(Cl)c1 ZINC000103525015 384629284 /nfs/dbraw/zinc/62/92/84/384629284.db2.gz GJGVODOUQARFBO-UHFFFAOYSA-N 0 1 249.644 2.383 20 0 BEADMN Cc1cc(CC(=O)N[C@@H](C)c2ccccc2)[nH]n1 ZINC000082306058 384663198 /nfs/dbraw/zinc/66/31/98/384663198.db2.gz RDOXWYVTMHFNRY-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN O=C(/C=C\C1CCCCC1)Nc1cn[nH]c1 ZINC000255493666 384666299 /nfs/dbraw/zinc/66/62/99/384666299.db2.gz KSAJIVCMQRNNSV-SREVYHEPSA-N 0 1 219.288 2.485 20 0 BEADMN CCN(C(=O)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000082323371 384668656 /nfs/dbraw/zinc/66/86/56/384668656.db2.gz XPIBNXMZQRGXRJ-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN CCOc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000082326114 384669280 /nfs/dbraw/zinc/66/92/80/384669280.db2.gz ZEMKXKZNCUEPHA-ZDUSSCGKSA-N 0 1 248.326 2.118 20 0 BEADMN CCC[C@H](NCc1ccnn1C)c1cccnc1 ZINC000184996115 384671341 /nfs/dbraw/zinc/67/13/41/384671341.db2.gz RIUSZZQOWGMSNX-AWEZNQCLSA-N 0 1 244.342 2.446 20 0 BEADMN C[C@@H]1CCC[C@H](NCC(F)(F)CO)[C@@H]1C ZINC000184694103 384636297 /nfs/dbraw/zinc/63/62/97/384636297.db2.gz YNVMLOSQRQNITB-BBBLOLIVSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H](NC1CC1)c1cc2n(n1)CCCC2 ZINC000647280082 384651621 /nfs/dbraw/zinc/65/16/21/384651621.db2.gz RJNGKMZGTLDYCA-SECBINFHSA-N 0 1 205.305 2.032 20 0 BEADMN CC(C)N(CCO)Cc1ccc(F)cc1F ZINC000050886521 384651757 /nfs/dbraw/zinc/65/17/57/384651757.db2.gz NEGZURFVJRWADM-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000041053008 384653911 /nfs/dbraw/zinc/65/39/11/384653911.db2.gz LFCDQDSCRLGADE-QMMMGPOBSA-N 0 1 209.293 2.311 20 0 BEADMN CCc1ccc([C@H](COC)NC[C@@H](C)OC)o1 ZINC000184823002 384654101 /nfs/dbraw/zinc/65/41/01/384654101.db2.gz RNAISYUDWHQLMX-PWSUYJOCSA-N 0 1 241.331 2.154 20 0 BEADMN Clc1ccc(CNCC2=CCCOC2)o1 ZINC000336656611 384660657 /nfs/dbraw/zinc/66/06/57/384660657.db2.gz AKHPNBRLAWMJIL-UHFFFAOYSA-N 0 1 227.691 2.369 20 0 BEADMN CCCc1ncc(CNCCSCC)o1 ZINC000449612089 384723644 /nfs/dbraw/zinc/72/36/44/384723644.db2.gz JRTUBTOAXILHRN-UHFFFAOYSA-N 0 1 228.361 2.470 20 0 BEADMN CC[C@@H](F)CN[C@H](CO)c1ccc(F)cc1 ZINC000309936589 384725417 /nfs/dbraw/zinc/72/54/17/384725417.db2.gz AFQHGKNNSXBJJH-ZYHUDNBSSA-N 0 1 229.270 2.197 20 0 BEADMN Cn1cncc1CNCc1ccc(Cl)cc1 ZINC000082393882 384678242 /nfs/dbraw/zinc/67/82/42/384678242.db2.gz JOHGQURJORWHQK-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN C[C@H](N[C@H]1CC12CC2)c1cc2n(n1)CCC2 ZINC000335249034 384679470 /nfs/dbraw/zinc/67/94/70/384679470.db2.gz MKKFXLZMQHZTCX-CABZTGNLSA-N 0 1 217.316 2.032 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000173652134 384707861 /nfs/dbraw/zinc/70/78/61/384707861.db2.gz YCGQSIZEEPEUTK-ZDUSSCGKSA-N 0 1 235.331 2.452 20 0 BEADMN C(=C/c1ccccc1)\COCCc1c[nH]nn1 ZINC000357014942 384727413 /nfs/dbraw/zinc/72/74/13/384727413.db2.gz CENSXJZVNMBDAD-QPJJXVBHSA-N 0 1 229.283 2.077 20 0 BEADMN Cn1ccnc1CNC[C@@H]1CCCCC1(F)F ZINC000294267806 384711191 /nfs/dbraw/zinc/71/11/91/384711191.db2.gz RLVGQSHKPLLBNL-JTQLQIEISA-N 0 1 243.301 2.335 20 0 BEADMN COC(=O)CCN(C)[C@H](C)c1ccccc1F ZINC000052074012 384714192 /nfs/dbraw/zinc/71/41/92/384714192.db2.gz YMAXFCNEARRZJU-SNVBAGLBSA-N 0 1 239.290 2.382 20 0 BEADMN Cc1ccncc1CN[C@H]1CCC[C@H]1F ZINC000335931113 384718179 /nfs/dbraw/zinc/71/81/79/384718179.db2.gz XVQADPNQBQKIIM-NEPJUHHUSA-N 0 1 208.280 2.370 20 0 BEADMN Cc1cnn(C)c1CN1CC2(C1)CCCCC2 ZINC000334713579 384720444 /nfs/dbraw/zinc/72/04/44/384720444.db2.gz FOXBJMWTISFYDP-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CCN(CC(F)F)C(=O)c1cc(C(C)C)[nH]n1 ZINC000185847467 384773742 /nfs/dbraw/zinc/77/37/42/384773742.db2.gz PHMPUSVWLPDWBY-UHFFFAOYSA-N 0 1 245.273 2.260 20 0 BEADMN CO[C@@H]1CN(Cc2cc(C)ns2)CC[C@@H]1C ZINC000643892308 384732761 /nfs/dbraw/zinc/73/27/61/384732761.db2.gz WEIMIEFEZHYLEI-JOYOIKCWSA-N 0 1 240.372 2.308 20 0 BEADMN C[C@H](Cn1ccnc1)N[C@H](C)c1nccs1 ZINC000083142999 384744245 /nfs/dbraw/zinc/74/42/45/384744245.db2.gz QYRHBNAFINZGKZ-NXEZZACHSA-N 0 1 236.344 2.079 20 0 BEADMN C[C@](N)(C(=O)NCC1CCCC1)c1ccccc1 ZINC000052881483 384752610 /nfs/dbraw/zinc/75/26/10/384752610.db2.gz QBICVOZHMVVAQT-OAHLLOKOSA-N 0 1 246.354 2.167 20 0 BEADMN CC(C)(C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000052882598 384754098 /nfs/dbraw/zinc/75/40/98/384754098.db2.gz LCSLYLLFEUTARD-AWEZNQCLSA-N 0 1 234.343 2.023 20 0 BEADMN CCCCN(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881117 384754272 /nfs/dbraw/zinc/75/42/72/384754272.db2.gz LYUODPUVDIUPCE-CQSZACIVSA-N 0 1 234.343 2.119 20 0 BEADMN CC(C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000052881093 384754446 /nfs/dbraw/zinc/75/44/46/384754446.db2.gz BXSRMJKVOAPOKN-CQSZACIVSA-N 0 1 234.343 2.023 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nn2)[C@H]2CCCC[C@H]12 ZINC000536379057 384755369 /nfs/dbraw/zinc/75/53/69/384755369.db2.gz SHOMAIWLNPCBNO-BNOWGMLFSA-N 0 1 248.374 2.216 20 0 BEADMN CCCCCNC(=O)[C@H](N)c1ccccc1C ZINC000083361206 384766924 /nfs/dbraw/zinc/76/69/24/384766924.db2.gz JJDSXWYJTZLFJL-CYBMUJFWSA-N 0 1 234.343 2.301 20 0 BEADMN Cc1ccc(O[C@H](C)CNCc2ncc[nH]2)cc1 ZINC000083374230 384768406 /nfs/dbraw/zinc/76/84/06/384768406.db2.gz QBNXXAZFAKKCJD-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN CO[C@@H]1C[C@H](N(C)Cc2n[nH]cc2C)C12CCC2 ZINC000449637371 384781247 /nfs/dbraw/zinc/78/12/47/384781247.db2.gz ZHYAXPOLGNXUTG-QWHCGFSZSA-N 0 1 249.358 2.108 20 0 BEADMN C[C@@H](NCC1=CCCOC1)c1nccs1 ZINC000176835503 384791851 /nfs/dbraw/zinc/79/18/51/384791851.db2.gz XYIZJVRRZGUNDP-SECBINFHSA-N 0 1 224.329 2.140 20 0 BEADMN CCc1nc(NC(=O)c2ccccc2CC)n[nH]1 ZINC000182243629 384836137 /nfs/dbraw/zinc/83/61/37/384836137.db2.gz KONKOBFNIVSINL-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccccc2CC)n1 ZINC000182243629 384836143 /nfs/dbraw/zinc/83/61/43/384836143.db2.gz KONKOBFNIVSINL-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN COC[C@@H](N[C@@H](C)c1nccs1)C1CC1 ZINC000087480860 384796566 /nfs/dbraw/zinc/79/65/66/384796566.db2.gz FNTRBSSFRHMZJX-WCBMZHEXSA-N 0 1 226.345 2.219 20 0 BEADMN COC[C@H](N[C@@H](C)c1nccs1)C1CC1 ZINC000087480855 384796954 /nfs/dbraw/zinc/79/69/54/384796954.db2.gz FNTRBSSFRHMZJX-WPRPVWTQSA-N 0 1 226.345 2.219 20 0 BEADMN CC[C@H](NC1CC(F)(F)C1)c1ccn(C)n1 ZINC000310033750 384798868 /nfs/dbraw/zinc/79/88/68/384798868.db2.gz SDQJRMXEGXLFFS-VIFPVBQESA-N 0 1 229.274 2.259 20 0 BEADMN Cc1ccc(CNCc2cc[nH]c2)nc1C ZINC000314109159 384800464 /nfs/dbraw/zinc/80/04/64/384800464.db2.gz CEPWXRYUOCFRSH-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN C[C@H](N[C@H]1CCCOC1)c1cc2n(n1)CCCC2 ZINC000647288920 384806967 /nfs/dbraw/zinc/80/69/67/384806967.db2.gz UXOGHONMZJULTH-RYUDHWBXSA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H](F)CN[C@@H](C)c1ccnc(OC)c1 ZINC000310039635 384808605 /nfs/dbraw/zinc/80/86/05/384808605.db2.gz XECNJUCKUNFIJR-ONGXEEELSA-N 0 1 226.295 2.489 20 0 BEADMN CC[C@@H](F)CN[C@@H](CO)c1cccc(F)c1 ZINC000310039918 384810527 /nfs/dbraw/zinc/81/05/27/384810527.db2.gz XKSYIHMDTCIXQQ-PWSUYJOCSA-N 0 1 229.270 2.197 20 0 BEADMN Cn1ncnc1CN(CC1CC1)C1CCCCC1 ZINC000177111985 384870295 /nfs/dbraw/zinc/87/02/95/384870295.db2.gz CWVHTDHZOYJNHA-UHFFFAOYSA-N 0 1 248.374 2.360 20 0 BEADMN COC[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000234829459 384881155 /nfs/dbraw/zinc/88/11/55/384881155.db2.gz SCFOYERKVHWLQW-JQWIXIFHSA-N 0 1 249.310 2.091 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1c(F)cccc1F ZINC000336096654 384884596 /nfs/dbraw/zinc/88/45/96/384884596.db2.gz LMNIWWORDLZGIU-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN COc1nccnc1CN(C)C1(C)CCCC1 ZINC000449289968 384885620 /nfs/dbraw/zinc/88/56/20/384885620.db2.gz CKDXCMCEIAUPLG-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN Nc1ccncc1C(=O)N1CCCCCCC1 ZINC000126898779 384840343 /nfs/dbraw/zinc/84/03/43/384840343.db2.gz XGNLYIMCUJKHKT-UHFFFAOYSA-N 0 1 233.315 2.070 20 0 BEADMN CN(CCSc1ccccc1)Cc1nnc[nH]1 ZINC000174821319 384842451 /nfs/dbraw/zinc/84/24/51/384842451.db2.gz XHNBRVRWRSJLRT-UHFFFAOYSA-N 0 1 248.355 2.029 20 0 BEADMN C[C@@H]1OCC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000358238260 384842379 /nfs/dbraw/zinc/84/23/79/384842379.db2.gz FFZZGHDSHLRCBA-XXILOJSOSA-N 0 1 237.274 2.026 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000449907797 384843652 /nfs/dbraw/zinc/84/36/52/384843652.db2.gz PUVQORUPDRXQBN-ZYHUDNBSSA-N 0 1 235.331 2.242 20 0 BEADMN CC(C)=CC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174863364 384846391 /nfs/dbraw/zinc/84/63/91/384846391.db2.gz ZLCSXSGNNSDOHO-UHFFFAOYSA-N 0 1 243.310 2.454 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(F)cc1F ZINC000335206679 384850821 /nfs/dbraw/zinc/85/08/21/384850821.db2.gz HXECJSJXTOZLBU-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN CCC1(CNC(=O)[C@H](N)c2ccccc2)CCC1 ZINC000225453602 384852918 /nfs/dbraw/zinc/85/29/18/384852918.db2.gz OODKSALXGFMKSA-CYBMUJFWSA-N 0 1 246.354 2.383 20 0 BEADMN Cc1c([C@H](C)NCc2cncs2)cnn1C ZINC000054771205 384853941 /nfs/dbraw/zinc/85/39/41/384853941.db2.gz IEFZFUMXLGYQHA-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H](NCc1cncs1)c1cccnc1 ZINC000054770188 384856039 /nfs/dbraw/zinc/85/60/39/384856039.db2.gz LTIHKAIBGMAODY-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN COC(=O)c1coc(CN2CCCC3(CC3)C2)c1 ZINC000186621871 384858062 /nfs/dbraw/zinc/85/80/62/384858062.db2.gz HJLHBYGKKZGXQO-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN Cc1n[nH]cc1CN1CCc2ccsc2C1 ZINC000127090996 384862636 /nfs/dbraw/zinc/86/26/36/384862636.db2.gz ZNNJFEQCAVZHHT-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1occc1CN(C)CCOC(C)C ZINC000055053964 384865164 /nfs/dbraw/zinc/86/51/64/384865164.db2.gz LLRMNSZZFYLYEY-UHFFFAOYSA-N 0 1 211.305 2.445 20 0 BEADMN Cc1cnc(CNCCOC(F)(F)F)s1 ZINC000398258203 384867775 /nfs/dbraw/zinc/86/77/75/384867775.db2.gz RPJVODZDFBOJBB-UHFFFAOYSA-N 0 1 240.250 2.078 20 0 BEADMN CC[C@H](O)CN1CCc2ccc(Cl)cc2C1 ZINC000090613483 384950609 /nfs/dbraw/zinc/95/06/09/384950609.db2.gz AACUKJSOSNCIBH-ZDUSSCGKSA-N 0 1 239.746 2.469 20 0 BEADMN CC[C@](C)(NCc1cnc[nH]1)c1nccs1 ZINC000164306928 384960817 /nfs/dbraw/zinc/96/08/17/384960817.db2.gz PMGOXXLOACFMGV-NSHDSACASA-N 0 1 236.344 2.281 20 0 BEADMN Cc1ccc([C@@H](C)NCc2c[nH]nn2)cc1F ZINC000398309595 384897375 /nfs/dbraw/zinc/89/73/75/384897375.db2.gz XDSWELIASIOEMR-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccco1 ZINC000127476119 384901357 /nfs/dbraw/zinc/90/13/57/384901357.db2.gz ZXRUFNLIEAYNCP-MGPLVRAMSA-N 0 1 243.372 2.477 20 0 BEADMN Cc1ccnc(NC[C@H](C)C[C@@H](C)O)c1 ZINC000301633507 384902625 /nfs/dbraw/zinc/90/26/25/384902625.db2.gz JYQMHDGBMWLPPF-GHMZBOCLSA-N 0 1 208.305 2.209 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCc1ccccc1F ZINC000049829706 384902856 /nfs/dbraw/zinc/90/28/56/384902856.db2.gz KRGFIBKVVSNDTI-SNVBAGLBSA-N 0 1 239.290 2.163 20 0 BEADMN CC(C)CC[C@@](C)(O)CNCc1cscn1 ZINC000077456153 384903375 /nfs/dbraw/zinc/90/33/75/384903375.db2.gz BCPDZRYAIUFKAQ-GFCCVEGCSA-N 0 1 242.388 2.420 20 0 BEADMN Cc1ccnc(NCC[C@@H](O)C(C)C)c1 ZINC000301615941 384903944 /nfs/dbraw/zinc/90/39/44/384903944.db2.gz BSDGIADPCXHUOZ-LLVKDONJSA-N 0 1 208.305 2.209 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635765688 384905338 /nfs/dbraw/zinc/90/53/38/384905338.db2.gz SOQMPKJYCLLFQP-NNYUYHANSA-N 0 1 247.342 2.303 20 0 BEADMN Cc1cccn2cc(CN3CC[C@H](C)C3)nc12 ZINC000586768054 384913874 /nfs/dbraw/zinc/91/38/74/384913874.db2.gz MLJMXUDDKRVNDP-NSHDSACASA-N 0 1 229.327 2.485 20 0 BEADMN Cc1nnc([C@H](C)NCCCCF)s1 ZINC000308684258 384914098 /nfs/dbraw/zinc/91/40/98/384914098.db2.gz YSLAJEMSLJUOAS-ZETCQYMHSA-N 0 1 217.313 2.247 20 0 BEADMN CCOC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000336677376 384923829 /nfs/dbraw/zinc/92/38/29/384923829.db2.gz BNNFVUYHOYKSHL-NXEZZACHSA-N 0 1 226.295 2.296 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC000564660188 384930019 /nfs/dbraw/zinc/93/00/19/384930019.db2.gz BZEGZFBVYSYFEC-STQMWFEESA-N 0 1 233.311 2.197 20 0 BEADMN CC(C)[C@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000312955307 384932490 /nfs/dbraw/zinc/93/24/90/384932490.db2.gz MZQOGDYSKRZIRB-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000187738696 384974805 /nfs/dbraw/zinc/97/48/05/384974805.db2.gz JFDRLYFXKXSMNO-ZJUUUORDSA-N 0 1 244.298 2.189 20 0 BEADMN CO[C@H](CNCc1conc1C)c1ccccc1 ZINC000339204025 384974652 /nfs/dbraw/zinc/97/46/52/384974652.db2.gz XYAMGAPUWJHTRB-CQSZACIVSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1cc(CNCc2cncc(C)c2)sn1 ZINC000404357932 384976142 /nfs/dbraw/zinc/97/61/42/384976142.db2.gz ZYAXHOUHAZKUAS-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187824402 384984097 /nfs/dbraw/zinc/98/40/97/384984097.db2.gz SEHHZOJCAMYVEL-LRDDRELGSA-N 0 1 239.384 2.194 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC2(C)C)c1 ZINC000530610061 384987270 /nfs/dbraw/zinc/98/72/70/384987270.db2.gz PGRTWCCTKMCADA-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)s1 ZINC000187833442 384988056 /nfs/dbraw/zinc/98/80/56/384988056.db2.gz QMMHWTSFKYNLKX-PSLIRLAXSA-N 0 1 245.413 2.255 20 0 BEADMN C[N@@H+](CCO)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361587480 384989308 /nfs/dbraw/zinc/98/93/08/384989308.db2.gz JUHYJJIKYPQATQ-DTWKUNHWSA-N 0 1 225.254 2.032 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cnccc1N ZINC000128069910 384989612 /nfs/dbraw/zinc/98/96/12/384989612.db2.gz IBVSGWLSHBBOQF-NXEZZACHSA-N 0 1 235.331 2.218 20 0 BEADMN CC(C)CCOCCNCc1ccns1 ZINC000404448759 384995246 /nfs/dbraw/zinc/99/52/46/384995246.db2.gz GNGHWHOUFMVEBZ-UHFFFAOYSA-N 0 1 228.361 2.295 20 0 BEADMN CCCCOCCNCc1ccns1 ZINC000404458144 385001860 /nfs/dbraw/zinc/00/18/60/385001860.db2.gz LPLIUHJIHPREAO-UHFFFAOYSA-N 0 1 214.334 2.049 20 0 BEADMN COc1ccc(CNCc2cc(C)ns2)cn1 ZINC000404445588 385005820 /nfs/dbraw/zinc/00/58/20/385005820.db2.gz CCXSCFDTHJMTCI-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN COc1cc(CNCc2cc(C)ns2)ccn1 ZINC000404469275 385012582 /nfs/dbraw/zinc/01/25/82/385012582.db2.gz WLCBACVDCYILDM-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(C)C[C@@H]1CC ZINC000647460438 385048091 /nfs/dbraw/zinc/04/80/91/385048091.db2.gz CFXQDHVHQMQKNP-OTAKNEKHSA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cc(F)c(CNCC(C)(C)CO)c(F)c1 ZINC000643767819 385049949 /nfs/dbraw/zinc/04/99/49/385049949.db2.gz BLWLRYXVLMKGEQ-UHFFFAOYSA-N 0 1 243.297 2.381 20 0 BEADMN CC(C)OCCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000518397757 385050672 /nfs/dbraw/zinc/05/06/72/385050672.db2.gz JXQYQWFBKUJWHB-LLVKDONJSA-N 0 1 243.347 2.129 20 0 BEADMN Cc1ccc(F)c(CN(C)C(=O)c2ccn[nH]2)c1 ZINC000334148774 385051939 /nfs/dbraw/zinc/05/19/39/385051939.db2.gz ZECVZXOFACFSJC-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1cc(CC(=O)NCC2(CC(C)C)CC2)[nH]n1 ZINC000150742038 385054748 /nfs/dbraw/zinc/05/47/48/385054748.db2.gz JWRBFNSORCEKRP-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1cc(C)cc(NC(=O)N2CC(N(C)C)C2)c1 ZINC000059727985 385055420 /nfs/dbraw/zinc/05/54/20/385055420.db2.gz PQKSNDNLCIUAKE-UHFFFAOYSA-N 0 1 247.342 2.081 20 0 BEADMN CCc1ncc(CNC[C@H](O)CCC(C)C)o1 ZINC000644663088 385072948 /nfs/dbraw/zinc/07/29/48/385072948.db2.gz AWGVLMMZKNALOF-LLVKDONJSA-N 0 1 240.347 2.124 20 0 BEADMN Cc1ccc(CN(C)CCOCC(F)F)o1 ZINC000188663151 385074532 /nfs/dbraw/zinc/07/45/32/385074532.db2.gz SFQBPBYUSYWVHW-UHFFFAOYSA-N 0 1 233.258 2.302 20 0 BEADMN c1nnsc1CN1CCC[C@H]2CCC[C@H]21 ZINC000334151519 385075038 /nfs/dbraw/zinc/07/50/38/385075038.db2.gz KVUQSCDKWIPXNK-MWLCHTKSSA-N 0 1 223.345 2.303 20 0 BEADMN CC(C)(C)OCCNCc1ccns1 ZINC000404511625 385024221 /nfs/dbraw/zinc/02/42/21/385024221.db2.gz RBDGUJLRIWSRDQ-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN C[N@@H+](CCCCc1ccccc1)CCC(=O)[O-] ZINC000134701758 385026256 /nfs/dbraw/zinc/02/62/56/385026256.db2.gz ZJKUCOWXZPPJJN-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1nccs1 ZINC000647243011 385028148 /nfs/dbraw/zinc/02/81/48/385028148.db2.gz CAVGPWNLMKFKCH-VHSXEESVSA-N 0 1 228.361 2.030 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC[C@@H](SC)C1 ZINC000518386743 385033297 /nfs/dbraw/zinc/03/32/97/385033297.db2.gz OGSDRJKCPORNHS-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN C/C=C(/CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000188302823 385034805 /nfs/dbraw/zinc/03/48/05/385034805.db2.gz ZOTQBOVJJLKLMF-QQCYMQAYSA-N 0 1 235.331 2.122 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000130599747 385043550 /nfs/dbraw/zinc/04/35/50/385043550.db2.gz ASEYHRIXVZLEKC-NSHDSACASA-N 0 1 241.237 2.014 20 0 BEADMN Cc1nc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000647459600 385045806 /nfs/dbraw/zinc/04/58/06/385045806.db2.gz PSOCSOMLANXJBJ-WDEREUQCSA-N 0 1 249.314 2.067 20 0 BEADMN NC1(c2noc([C@@H]3CC34CCC4)n2)CCCC1 ZINC000647137882 385110610 /nfs/dbraw/zinc/11/06/10/385110610.db2.gz BSSCRXCSJSYMOH-VIFPVBQESA-N 0 1 233.315 2.455 20 0 BEADMN C[C@@H](O)CNc1ccc2cnccc2c1 ZINC000644703156 385121311 /nfs/dbraw/zinc/12/13/11/385121311.db2.gz JNRXISQUVNJPQQ-SECBINFHSA-N 0 1 202.257 2.028 20 0 BEADMN C[C@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000061680834 385131605 /nfs/dbraw/zinc/13/16/05/385131605.db2.gz SFUKMSPVSYDNMN-SNVBAGLBSA-N 0 1 248.351 2.281 20 0 BEADMN C(CN1CCO[C@@H]2C[C@@H]21)C1CCCCC1 ZINC000644716246 385133599 /nfs/dbraw/zinc/13/35/99/385133599.db2.gz KFPPXBGPEQFGIL-QWHCGFSZSA-N 0 1 209.333 2.430 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CCO[C@H]3C[C@H]32)C1 ZINC000644717314 385136138 /nfs/dbraw/zinc/13/61/38/385136138.db2.gz LNWUCDODSHNSTO-XQHKEYJVSA-N 0 1 209.333 2.286 20 0 BEADMN CCc1cnc(CN[C@@H]2COCC2(C)C)s1 ZINC000313012397 385139810 /nfs/dbraw/zinc/13/98/10/385139810.db2.gz VDZHINFUUSSPCD-SNVBAGLBSA-N 0 1 240.372 2.220 20 0 BEADMN CCCc1nc(C)c(CN(C)C(C)(C)CO)o1 ZINC000644668815 385086896 /nfs/dbraw/zinc/08/68/96/385086896.db2.gz CFUYGYDTDGGKRH-UHFFFAOYSA-N 0 1 240.347 2.138 20 0 BEADMN Cc1nc(CN2CC[C@H]2c2cccc(F)c2)n[nH]1 ZINC000644671964 385089115 /nfs/dbraw/zinc/08/91/15/385089115.db2.gz ZFYYNNSQLIHWBE-LBPRGKRZSA-N 0 1 246.289 2.199 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)c(C)[nH]1 ZINC000647136921 385092224 /nfs/dbraw/zinc/09/22/24/385092224.db2.gz MWQLZIQZRDXHMM-UHFFFAOYSA-N 0 1 246.314 2.410 20 0 BEADMN CC(C)c1nc(CN2CC[C@H](C)[C@@H](F)C2)n[nH]1 ZINC000644682191 385096069 /nfs/dbraw/zinc/09/60/69/385096069.db2.gz NQSRMOCSOGMEGD-UWVGGRQHSA-N 0 1 240.326 2.108 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CC23CC3)n1 ZINC000422554991 385102660 /nfs/dbraw/zinc/10/26/60/385102660.db2.gz ZCXWOMTUCLCAGN-BDAKNGLRSA-N 0 1 221.304 2.383 20 0 BEADMN CC[C@H]1CCN(C(=O)c2c(O)cccc2F)C1 ZINC000129058705 385103225 /nfs/dbraw/zinc/10/32/25/385103225.db2.gz ITYTUROMQNXVGT-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN CCC1(C)CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000291066743 385182239 /nfs/dbraw/zinc/18/22/39/385182239.db2.gz LZYCUIQGLKHMRV-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN C[C@H](C(=O)NCCCCc1ccccc1)N(C)C ZINC000635162185 385184427 /nfs/dbraw/zinc/18/44/27/385184427.db2.gz HJRJDUMLOPRGLU-CYBMUJFWSA-N 0 1 248.370 2.076 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C)n[nH]1 ZINC000152507322 385187659 /nfs/dbraw/zinc/18/76/59/385187659.db2.gz KKQGXGDUQYYDPO-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)Cc1cncn1C ZINC000177176266 385194341 /nfs/dbraw/zinc/19/43/41/385194341.db2.gz PLVPMYYENWNXBF-LLVKDONJSA-N 0 1 241.404 2.384 20 0 BEADMN Cc1cncc(CN2CCSC[C@@H]2C)c1 ZINC000189897228 385194926 /nfs/dbraw/zinc/19/49/26/385194926.db2.gz FTWGCOBDUJZTSK-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CO[C@@](C)(CNCc1nc(C)cs1)C1CC1 ZINC000291089337 385196868 /nfs/dbraw/zinc/19/68/68/385196868.db2.gz WXAIDXUUMZFFSP-LBPRGKRZSA-N 0 1 240.372 2.356 20 0 BEADMN COC[C@@H]1CN(Cc2ccccc2C)C[C@@H](C)O1 ZINC000189389041 385150176 /nfs/dbraw/zinc/15/01/76/385150176.db2.gz VQJGXCCLTFFUGU-HIFRSBDPSA-N 0 1 249.354 2.231 20 0 BEADMN O=C([O-])CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000559753809 385153521 /nfs/dbraw/zinc/15/35/21/385153521.db2.gz OCCYBLWSTIHUBC-UHFFFAOYSA-N 0 1 244.294 2.001 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000559753809 385153529 /nfs/dbraw/zinc/15/35/29/385153529.db2.gz OCCYBLWSTIHUBC-UHFFFAOYSA-N 0 1 244.294 2.001 20 0 BEADMN COc1cc(CN[C@@H](C)c2cccnc2)ccn1 ZINC000062057830 385154476 /nfs/dbraw/zinc/15/44/76/385154476.db2.gz MTKBHWZDPVPCEU-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COC[C@H]1CN([C@@H](C)c2ccccc2)C[C@H](C)O1 ZINC000189397446 385155532 /nfs/dbraw/zinc/15/55/32/385155532.db2.gz WJGSVUHJPUFHHE-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN C[C@@H](C(=O)Nc1cc(CN(C)C)ccn1)C1CC1 ZINC000176920553 385158492 /nfs/dbraw/zinc/15/84/92/385158492.db2.gz ALJJGYAUDAMECE-SNVBAGLBSA-N 0 1 247.342 2.128 20 0 BEADMN CO[C@@](C)(CNCc1cscn1)C1CC1 ZINC000291041205 385161157 /nfs/dbraw/zinc/16/11/57/385161157.db2.gz KYUYDLUDWRQWJM-NSHDSACASA-N 0 1 226.345 2.048 20 0 BEADMN COC[C@H]1CCCN(Cc2csc(C)n2)C1 ZINC000062161127 385162686 /nfs/dbraw/zinc/16/26/86/385162686.db2.gz CLIVNVKMXYQQEE-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H]2C)n[nH]1 ZINC000176985868 385163839 /nfs/dbraw/zinc/16/38/39/385163839.db2.gz FYHUHTOUGMZMNH-VHSXEESVSA-N 0 1 235.331 2.404 20 0 BEADMN CCN(CC(=O)N1Cc2ccccc2C1)C1CC1 ZINC000152282229 385173678 /nfs/dbraw/zinc/17/36/78/385173678.db2.gz SDQSFYOMSLZNNV-UHFFFAOYSA-N 0 1 244.338 2.013 20 0 BEADMN Cc1cnn(C)c1CN1CCS[C@H](C)[C@H]1C ZINC000289519005 385201261 /nfs/dbraw/zinc/20/12/61/385201261.db2.gz FWHFFHSTIGTNKB-GHMZBOCLSA-N 0 1 239.388 2.054 20 0 BEADMN CC[N@@H+](C[C@H](O)C(F)(F)F)CC(C)(C)C ZINC000308849753 385208938 /nfs/dbraw/zinc/20/89/38/385208938.db2.gz MKJONAFFMHONOU-QMMMGPOBSA-N 0 1 227.270 2.278 20 0 BEADMN CCCN1CCN(c2ccnc(C(C)C)n2)CC1 ZINC000110113297 385210483 /nfs/dbraw/zinc/21/04/83/385210483.db2.gz CHJDVMPHBBHSAL-UHFFFAOYSA-N 0 1 248.374 2.132 20 0 BEADMN C[C@H](NCc1cccs1)c1cnn(C)c1 ZINC000044495280 385211549 /nfs/dbraw/zinc/21/15/49/385211549.db2.gz DULJZFCVXOQKKQ-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN CCc1ccc(CNCCOCC2CC2)o1 ZINC000165988064 385212966 /nfs/dbraw/zinc/21/29/66/385212966.db2.gz JSAQIOBIBDFWDZ-UHFFFAOYSA-N 0 1 223.316 2.358 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230360959 385214060 /nfs/dbraw/zinc/21/40/60/385214060.db2.gz FLCKSTOLCAHSEV-MNOVXSKESA-N 0 1 209.289 2.034 20 0 BEADMN Cc1csc(C(=O)NCc2cc(C)[nH]n2)c1 ZINC000648329750 385215592 /nfs/dbraw/zinc/21/55/92/385215592.db2.gz NSOICWAZMQBDLR-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN CC[C@@H](NCc1coc2ccccc12)C(=O)NC ZINC000449783121 385234664 /nfs/dbraw/zinc/23/46/64/385234664.db2.gz ZQDVJIPOMGHHLF-GFCCVEGCSA-N 0 1 246.310 2.047 20 0 BEADMN Cc1cnc(CN[C@H](C)COC(C)C)s1 ZINC000308883099 385236348 /nfs/dbraw/zinc/23/63/48/385236348.db2.gz UYLRZOOMWKABGY-SECBINFHSA-N 0 1 228.361 2.355 20 0 BEADMN C[C@@H](Nc1nc2[nH]ncc2c(=O)[nH]1)C1CCCC1 ZINC000290535036 385248990 /nfs/dbraw/zinc/24/89/90/385248990.db2.gz HUUSYXIJXZPKMA-SSDOTTSWSA-N 0 1 247.302 2.049 20 0 BEADMN Cc1cncc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000190008621 385203982 /nfs/dbraw/zinc/20/39/82/385203982.db2.gz LQNZLFGEQXVXQC-GJZGRUSLSA-N 0 1 248.370 2.373 20 0 BEADMN CC[C@@H](C(=O)Nc1nc(C)c(C)s1)N(C)C ZINC000177979488 385314572 /nfs/dbraw/zinc/31/45/72/385314572.db2.gz IEOFDCNUPRRQIT-VIFPVBQESA-N 0 1 241.360 2.039 20 0 BEADMN CC[C@@H](F)CN1CCOCC2(CCC2)C1 ZINC000336403104 385263990 /nfs/dbraw/zinc/26/39/90/385263990.db2.gz YNVYLROZMHMFRV-LLVKDONJSA-N 0 1 215.312 2.237 20 0 BEADMN CS[C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC000130625330 385267473 /nfs/dbraw/zinc/26/74/73/385267473.db2.gz KBFJUDNSYJHQDE-MRVPVSSYSA-N 0 1 249.339 2.044 20 0 BEADMN CCC1(CC)CN(C(C)C)CC[S@@]1=O ZINC000336405389 385274540 /nfs/dbraw/zinc/27/45/40/385274540.db2.gz XNHQCKJNTORRCE-AWEZNQCLSA-N 0 1 217.378 2.018 20 0 BEADMN Cc1csc(CN(C)C[C@H]2CCCOC2)n1 ZINC000130706700 385277918 /nfs/dbraw/zinc/27/79/18/385277918.db2.gz BTMUPPUHHMYBTG-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN NC1(c2noc(C3(C(F)(F)F)CC3)n2)CCC1 ZINC000647140930 385278316 /nfs/dbraw/zinc/27/83/16/385278316.db2.gz CXJGMEJIBVKVCA-UHFFFAOYSA-N 0 1 247.220 2.001 20 0 BEADMN NC1(c2noc(CCCC3CC3)n2)CCC1 ZINC000647141707 385290669 /nfs/dbraw/zinc/29/06/69/385290669.db2.gz VPJSYSRHNMGKME-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN Cc1csc(CN2[C@H](C)CC(O)C[C@@H]2C)n1 ZINC000191187910 385290838 /nfs/dbraw/zinc/29/08/38/385290838.db2.gz JNPAMMAWWMNGAN-ZACCUICWSA-N 0 1 240.372 2.185 20 0 BEADMN Cc1cc(C)c(CN(CC(N)=O)C(C)C)c(C)c1 ZINC000064950514 385293181 /nfs/dbraw/zinc/29/31/81/385293181.db2.gz DDCXRLRUXILOAA-UHFFFAOYSA-N 0 1 248.370 2.308 20 0 BEADMN Cc1n[nH]cc1CN(C)Cc1ccccc1 ZINC000154474322 385329451 /nfs/dbraw/zinc/32/94/51/385329451.db2.gz JBPVVQIVXRGEOE-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000228088841 385335825 /nfs/dbraw/zinc/33/58/25/385335825.db2.gz LHQZQMCVOCMWIB-TZMCWYRMSA-N 0 1 248.370 2.403 20 0 BEADMN c1snnc1CNCC12CCC(CC1)C2 ZINC000308998315 385338182 /nfs/dbraw/zinc/33/81/82/385338182.db2.gz NFBWFQZKDUAOMQ-UHFFFAOYSA-N 0 1 223.345 2.208 20 0 BEADMN C/C(=C\C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000178188265 385344155 /nfs/dbraw/zinc/34/41/55/385344155.db2.gz BQQJLLMFMSBSMM-OLKPEBQYSA-N 0 1 247.342 2.122 20 0 BEADMN CS[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC000131616586 385347748 /nfs/dbraw/zinc/34/77/48/385347748.db2.gz VHDVQOLDAKSWTJ-MRVPVSSYSA-N 0 1 249.339 2.044 20 0 BEADMN CC[C@H](NCC[NH+](C)C)c1ccccc1F ZINC000168114285 385350630 /nfs/dbraw/zinc/35/06/30/385350630.db2.gz VIGLMMHJKYTSHP-ZDUSSCGKSA-N 0 1 224.323 2.428 20 0 BEADMN C[C@@H](C[C@H](O)c1ccccc1)NCc1cocn1 ZINC000192338910 385353153 /nfs/dbraw/zinc/35/31/53/385353153.db2.gz WELJJAOLOWULTA-FZMZJTMJSA-N 0 1 246.310 2.276 20 0 BEADMN CCOc1cccc(CCNCc2cocn2)c1 ZINC000192333971 385353811 /nfs/dbraw/zinc/35/38/11/385353811.db2.gz PBDGTHUDAOZTPJ-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)CC(C)C)n1 ZINC000309011708 385358301 /nfs/dbraw/zinc/35/83/01/385358301.db2.gz SAUSFZGZCBHTAT-IUCAKERBSA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](NCCc1cnccn1)c1nccs1 ZINC000402860512 385361802 /nfs/dbraw/zinc/36/18/02/385361802.db2.gz XMAWNKNATVOSFA-NSHDSACASA-N 0 1 248.355 2.217 20 0 BEADMN CCC1CCC(NC(=O)CCc2cnc[nH]2)CC1 ZINC000192575809 385362901 /nfs/dbraw/zinc/36/29/01/385362901.db2.gz VIKUPXXCZWPRLA-UHFFFAOYSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H](NC[C@H](C)O)c1nc(C(C)(C)C)cs1 ZINC000192797987 385373383 /nfs/dbraw/zinc/37/33/83/385373383.db2.gz KJDGTCKQVNQZFT-DTWKUNHWSA-N 0 1 242.388 2.472 20 0 BEADMN c1cc(CN2CC[C@H](Cc3ccccc3)C2)n[nH]1 ZINC000155104472 385375166 /nfs/dbraw/zinc/37/51/66/385375166.db2.gz RQFDWRSARZGMFU-CQSZACIVSA-N 0 1 241.338 2.474 20 0 BEADMN Cc1nc(CN[C@@H](C)C2CCOCC2)oc1C ZINC000179874158 385383883 /nfs/dbraw/zinc/38/38/83/385383883.db2.gz CJLQPOUYQFNRNF-JTQLQIEISA-N 0 1 238.331 2.196 20 0 BEADMN CCCc1csc(CN[C@H](C)COC)n1 ZINC000309054530 385386119 /nfs/dbraw/zinc/38/61/19/385386119.db2.gz SVYJWBLPBCRJAM-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN C/C=C\C[C@H](CO)N[C@H](C)c1nccs1 ZINC000309041697 385387225 /nfs/dbraw/zinc/38/72/25/385387225.db2.gz LOSCMDRKHIXFSP-HWKXXFMVSA-N 0 1 226.345 2.121 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000178904785 385424017 /nfs/dbraw/zinc/42/40/17/385424017.db2.gz JDHRTRZIDFURKB-GXFFZTMASA-N 0 1 249.285 2.220 20 0 BEADMN C[C@@H](N[C@H](CO)CC1CCC1)c1cscn1 ZINC000281277019 385424319 /nfs/dbraw/zinc/42/43/19/385424319.db2.gz XGFALCSFQZWPDY-KOLCDFICSA-N 0 1 240.372 2.345 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCCC(C)(C)C ZINC000309076070 385397380 /nfs/dbraw/zinc/39/73/80/385397380.db2.gz ZBHSOSRFXGKOIA-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408011534 385397423 /nfs/dbraw/zinc/39/74/23/385397423.db2.gz XQYOYBNBOPVYNN-UWVGGRQHSA-N 0 1 239.319 2.001 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2[nH]1 ZINC000647661120 385398544 /nfs/dbraw/zinc/39/85/44/385398544.db2.gz RZVPMFZJIKFQEW-XVKPBYJWSA-N 0 1 229.283 2.466 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC2(C)C)[nH]1 ZINC001645215204 1172645184 /nfs/dbraw/zinc/64/51/84/1172645184.db2.gz OAHQXQKKEZHUKT-JTQLQIEISA-N 0 1 235.331 2.025 20 0 BEADMN Cc1occc1CN(C)C[C@@H]1CCCO1 ZINC000193992633 385420378 /nfs/dbraw/zinc/42/03/78/385420378.db2.gz BHXPWXQPABYRTG-LBPRGKRZSA-N 0 1 209.289 2.199 20 0 BEADMN C[C@H](CO)[C@H](C)NCc1csc(C2CC2)n1 ZINC000077422049 385439868 /nfs/dbraw/zinc/43/98/68/385439868.db2.gz GTIRQWNUDRFFPE-BDAKNGLRSA-N 0 1 240.372 2.127 20 0 BEADMN CC(C)C[C@H](NC(=O)CN(C)C)c1ccccc1 ZINC000170710669 385442130 /nfs/dbraw/zinc/44/21/30/385442130.db2.gz MAHKODDCYULQAV-AWEZNQCLSA-N 0 1 248.370 2.452 20 0 BEADMN C=Cn1cc(CNCc2cccc(OC)c2)cn1 ZINC000194349508 385431893 /nfs/dbraw/zinc/43/18/93/385431893.db2.gz OQJPBSAPBDOVBX-UHFFFAOYSA-N 0 1 243.310 2.282 20 0 BEADMN CC[C@@H](COC)N[C@H](COC)c1ccc(C)o1 ZINC000156512451 385457399 /nfs/dbraw/zinc/45/73/99/385457399.db2.gz GAAGWDCFXZCFJN-NWDGAFQWSA-N 0 1 241.331 2.290 20 0 BEADMN CC[C@H](NCc1cc(C)on1)[C@H]1CCCO1 ZINC000182307352 385437631 /nfs/dbraw/zinc/43/76/31/385437631.db2.gz ACDWGBUXHULOMR-NWDGAFQWSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](NCc1cc(C)on1)[C@@H]1CCCO1 ZINC000182307317 385438173 /nfs/dbraw/zinc/43/81/73/385438173.db2.gz ACDWGBUXHULOMR-RYUDHWBXSA-N 0 1 224.304 2.030 20 0 BEADMN CCc1ccc(CN2CCCO[C@@H](C)C2)o1 ZINC000179397498 385465822 /nfs/dbraw/zinc/46/58/22/385465822.db2.gz UQZOWVSRWYRKAU-NSHDSACASA-N 0 1 223.316 2.453 20 0 BEADMN Cc1ccc(F)c(CN2CCC(C)(O)CC2)c1 ZINC000179721920 385488360 /nfs/dbraw/zinc/48/83/60/385488360.db2.gz GVDKESKWGYRCSD-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN CCONC(=O)C(C)(C)c1ccc(C)cc1 ZINC000171273879 385475747 /nfs/dbraw/zinc/47/57/47/385475747.db2.gz CSJDKRFXZFDKRK-UHFFFAOYSA-N 0 1 221.300 2.340 20 0 BEADMN CCc1nnc(CNC2(C(C)C)CC2)s1 ZINC000378724738 385477633 /nfs/dbraw/zinc/47/76/33/385477633.db2.gz IBXPAWKKCODXSI-UHFFFAOYSA-N 0 1 225.361 2.379 20 0 BEADMN Cn1cccc1[C@H]1CCCN1Cc1ccnn1C ZINC000179708332 385485753 /nfs/dbraw/zinc/48/57/53/385485753.db2.gz OIKXUDAPVZAMAW-CQSZACIVSA-N 0 1 244.342 2.096 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927887 385488691 /nfs/dbraw/zinc/48/86/91/385488691.db2.gz SGWYIFWZTMRTSM-UWVGGRQHSA-N 0 1 223.320 2.050 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@H](C)C1 ZINC000644811003 385510411 /nfs/dbraw/zinc/51/04/11/385510411.db2.gz FQMDKCRMKUSVRZ-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccco1 ZINC000171734425 385513044 /nfs/dbraw/zinc/51/30/44/385513044.db2.gz VCFQZITZNMPHDT-SNVBAGLBSA-N 0 1 239.315 2.490 20 0 BEADMN C[C@@](N[C@H]1C=CCCC1)(C(N)=O)c1ccccc1 ZINC000171735633 385513269 /nfs/dbraw/zinc/51/32/69/385513269.db2.gz MWZPDCJGWUZIQO-ZFWWWQNUSA-N 0 1 244.338 2.085 20 0 BEADMN Cc1[nH]ncc1CN1CCN(C)c2ccccc21 ZINC000180688387 385539080 /nfs/dbraw/zinc/53/90/80/385539080.db2.gz RNGQDPAAGIUGGD-UHFFFAOYSA-N 0 1 242.326 2.175 20 0 BEADMN CSCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180328590 385520092 /nfs/dbraw/zinc/52/00/92/385520092.db2.gz LAUMCKOMSGJOEH-UHFFFAOYSA-N 0 1 235.312 2.173 20 0 BEADMN Cc1cnc(CN2C[C@H]3CC[C@@H]2C3)s1 ZINC000180443654 385523907 /nfs/dbraw/zinc/52/39/07/385523907.db2.gz YXBOPCHHPWFKPJ-VHSXEESVSA-N 0 1 208.330 2.436 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172112190 385550729 /nfs/dbraw/zinc/55/07/29/385550729.db2.gz AHJGLBWXDWPGFX-ZETCQYMHSA-N 0 1 243.690 2.409 20 0 BEADMN Cc1ccc(F)cc1NC(=O)CN(C)C(C)C ZINC000198664549 385557084 /nfs/dbraw/zinc/55/70/84/385557084.db2.gz ZDYPMIAEUDFEFA-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN Cc1c([C@H](C)NCc2cncc(C)c2)cnn1C ZINC000181029697 385559914 /nfs/dbraw/zinc/55/99/14/385559914.db2.gz LSQNFLOGTHOYDI-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nccc(NCCOCC2CC2)c1Cl ZINC000336649103 385593475 /nfs/dbraw/zinc/59/34/75/385593475.db2.gz GRSOKLNGGLGDMR-UHFFFAOYSA-N 0 1 240.734 2.304 20 0 BEADMN FCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000280820124 385606396 /nfs/dbraw/zinc/60/63/96/385606396.db2.gz VIQKHMXQASYPTD-UHFFFAOYSA-N 0 1 237.253 2.275 20 0 BEADMN C[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)C1CC1 ZINC000269494751 385600011 /nfs/dbraw/zinc/60/00/11/385600011.db2.gz DKLWJUFNBFQMDV-RXMQYKEDSA-N 0 1 247.220 2.413 20 0 BEADMN C[C@H](CC(=O)NCCN1CCC1)c1ccccc1 ZINC000337311452 385600357 /nfs/dbraw/zinc/60/03/57/385600357.db2.gz CMQSXOGFECNTPJ-CYBMUJFWSA-N 0 1 246.354 2.002 20 0 BEADMN Fc1ccc2c(c1)CCN(Cc1cnc[nH]1)C2 ZINC000181442320 385577984 /nfs/dbraw/zinc/57/79/84/385577984.db2.gz VGUQSFKCQAXIRK-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@@H](CC3CC3)C2)[nH]1 ZINC000411768744 385606885 /nfs/dbraw/zinc/60/68/85/385606885.db2.gz GEYYDQZICILAJA-SKDRFNHKSA-N 0 1 234.347 2.296 20 0 BEADMN O=C(CCC1CCCCC1)NCCN1CCC1 ZINC000337297598 385589731 /nfs/dbraw/zinc/58/97/31/385589731.db2.gz KNWCRTSIKJNXRP-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(CCC(C)C)o1 ZINC000181967479 385624884 /nfs/dbraw/zinc/62/48/84/385624884.db2.gz XJDDVSVKBDXCSP-UHFFFAOYSA-N 0 1 249.318 2.302 20 0 BEADMN CO[C@H](C)C[N@@H+](C)CCOc1ccccc1C ZINC000181999494 385626711 /nfs/dbraw/zinc/62/67/11/385626711.db2.gz UOYANPPVGWZVDW-CYBMUJFWSA-N 0 1 237.343 2.341 20 0 BEADMN CO[C@H](C)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000182120146 385635563 /nfs/dbraw/zinc/63/55/63/385635563.db2.gz GRRZFBRLZLVXKR-GZBFAFLISA-N 0 1 249.354 2.483 20 0 BEADMN CCOC[C@H](C)N[C@H](C)c1ccncc1F ZINC000336677380 385608864 /nfs/dbraw/zinc/60/88/64/385608864.db2.gz BNNFVUYHOYKSHL-VHSXEESVSA-N 0 1 226.295 2.296 20 0 BEADMN Cc1ccncc1CN1CCSC[C@H]1C ZINC000269578408 385609478 /nfs/dbraw/zinc/60/94/78/385609478.db2.gz FXGBHUNYMBIMGI-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2cscn2)C1(C)C ZINC000309501432 385637603 /nfs/dbraw/zinc/63/76/03/385637603.db2.gz ZUXUEXLDZHYSLN-JMJZKYOTSA-N 0 1 240.372 2.292 20 0 BEADMN Cc1nccc(NC[C@@]2(C)CCCO2)c1Cl ZINC000336683657 385645829 /nfs/dbraw/zinc/64/58/29/385645829.db2.gz ZFXWRQROHUSLSG-GFCCVEGCSA-N 0 1 240.734 2.446 20 0 BEADMN CC(C)(CNCc1cscn1)OCC1CC1 ZINC000414518552 385648646 /nfs/dbraw/zinc/64/86/46/385648646.db2.gz VEGWSNMHWIBNHO-UHFFFAOYSA-N 0 1 240.372 2.438 20 0 BEADMN Cc1ccc(CNCc2ccncc2C)cn1 ZINC000229660901 385649994 /nfs/dbraw/zinc/64/99/94/385649994.db2.gz JCVQNUBCNFPIJF-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000290167940 385650946 /nfs/dbraw/zinc/65/09/46/385650946.db2.gz MKRQIXHKKFLZCZ-KXUCPTDWSA-N 0 1 212.293 2.057 20 0 BEADMN CC(C)N(Cc1ccccc1N(C)C)C1COC1 ZINC000451121240 385657678 /nfs/dbraw/zinc/65/76/78/385657678.db2.gz QBEOYZSMBVLAHD-UHFFFAOYSA-N 0 1 248.370 2.362 20 0 BEADMN CCN(CCO)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000252788653 385659964 /nfs/dbraw/zinc/65/99/64/385659964.db2.gz PEPDKWAHLUQHAB-PWSUYJOCSA-N 0 1 223.316 2.217 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000059406279 385662643 /nfs/dbraw/zinc/66/26/43/385662643.db2.gz IAARGXOZSOTCCE-UHFFFAOYSA-N 0 1 217.268 2.147 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)c1ccccc1 ZINC000182379077 385663930 /nfs/dbraw/zinc/66/39/30/385663930.db2.gz BZXZLSHXLVADIW-SNVBAGLBSA-N 0 1 243.310 2.138 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@@H]2C)n1 ZINC000337465350 385671674 /nfs/dbraw/zinc/67/16/74/385671674.db2.gz MILPJDWJNIYVTP-GXSJLCMTSA-N 0 1 235.331 2.023 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC[C@H]2C)n1 ZINC000337465351 385672491 /nfs/dbraw/zinc/67/24/91/385672491.db2.gz MILPJDWJNIYVTP-KOLCDFICSA-N 0 1 235.331 2.023 20 0 BEADMN CC[C@]1(C)CN(CCOCC(C)C)CCO1 ZINC000337470416 385676673 /nfs/dbraw/zinc/67/66/73/385676673.db2.gz PFDIMGWNFGKQKA-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@H](CN[C@H](C)c1cscn1)OC ZINC000290178936 385677053 /nfs/dbraw/zinc/67/70/53/385677053.db2.gz NJASUHRWGAXPHV-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN Cc1cnc(CNC[C@H](C)C(F)(F)F)n1C ZINC000309549209 385682363 /nfs/dbraw/zinc/68/23/63/385682363.db2.gz HPFRUYMWVNKEDK-ZETCQYMHSA-N 0 1 235.253 2.017 20 0 BEADMN CC[C@@H](NC(=O)c1cnccc1N(C)C)C1CC1 ZINC000618869261 385682771 /nfs/dbraw/zinc/68/27/71/385682771.db2.gz TVIZLTLAEUPMMP-GFCCVEGCSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@H](N[C@H]1CCCC[C@@H]1C)c1ncn(C)n1 ZINC000336734790 385688602 /nfs/dbraw/zinc/68/86/02/385688602.db2.gz HQVHDEYUJJJTKV-DCAQKATOSA-N 0 1 222.336 2.044 20 0 BEADMN C[C@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000645225044 385689848 /nfs/dbraw/zinc/68/98/48/385689848.db2.gz LUZDOJKBDFCZFC-FZMZJTMJSA-N 0 1 217.312 2.395 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000337499862 385693035 /nfs/dbraw/zinc/69/30/35/385693035.db2.gz ZYWYRHGJSKTINL-AAEUAGOBSA-N 0 1 239.363 2.050 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@H]1NCC(F)(F)CO ZINC000184702787 385696131 /nfs/dbraw/zinc/69/61/31/385696131.db2.gz LUPKSPNEXUUIKQ-VHSXEESVSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H](C(N)=O)N1Cc2ccccc2C(C)(C)C1 ZINC000270342368 385698053 /nfs/dbraw/zinc/69/80/53/385698053.db2.gz FDZFYVARBWHMME-ZDUSSCGKSA-N 0 1 246.354 2.044 20 0 BEADMN CCc1ccc([C@H](COC)NCCSC)o1 ZINC000184786103 385711253 /nfs/dbraw/zinc/71/12/53/385711253.db2.gz OHFBIUMVKKIULI-NSHDSACASA-N 0 1 243.372 2.482 20 0 BEADMN CCc1ccc([C@H](COC)NCCCF)o1 ZINC000184852927 385713957 /nfs/dbraw/zinc/71/39/57/385713957.db2.gz JRMHCGRQPWIVOC-NSHDSACASA-N 0 1 229.295 2.479 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000309587427 385714002 /nfs/dbraw/zinc/71/40/02/385714002.db2.gz SKDMLURBVCLPSY-INTQDDNPSA-N 0 1 239.388 2.052 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000270084302 385667621 /nfs/dbraw/zinc/66/76/21/385667621.db2.gz LSPYYZHFYLMXLU-NSHDSACASA-N 0 1 235.331 2.369 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)C(C)(C)C)n[nH]1 ZINC000270741900 385737253 /nfs/dbraw/zinc/73/72/53/385737253.db2.gz AHKPLVFDCYDBCD-QMMMGPOBSA-N 0 1 238.335 2.151 20 0 BEADMN Cc1nc(CN[C@@H](CO)C(C)(C)C)c(C)s1 ZINC000336736191 385740331 /nfs/dbraw/zinc/74/03/31/385740331.db2.gz MKYXOQHYTYVHEG-NSHDSACASA-N 0 1 242.388 2.257 20 0 BEADMN CC(C)c1nc([C@H](C)NCCCO)cs1 ZINC000186199745 385747546 /nfs/dbraw/zinc/74/75/46/385747546.db2.gz MBGDVULTSIWQFE-VIFPVBQESA-N 0 1 228.361 2.300 20 0 BEADMN Fc1ccc(F)c2c1CC[C@H]2N[C@H]1CCOC1 ZINC000337679001 385750286 /nfs/dbraw/zinc/75/02/86/385750286.db2.gz UGGJXIMBHYNNDV-QPUJVOFHSA-N 0 1 239.265 2.331 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)C2CCC2)cc1 ZINC000230803333 385758076 /nfs/dbraw/zinc/75/80/76/385758076.db2.gz HKAREGKKIBUHSH-ZDUSSCGKSA-N 0 1 232.327 2.006 20 0 BEADMN FC(F)(F)C1=CCN(CCn2ccnc2)CC1 ZINC000270907535 385758349 /nfs/dbraw/zinc/75/83/49/385758349.db2.gz SHULEASSUGQCNV-UHFFFAOYSA-N 0 1 245.248 2.078 20 0 BEADMN CO[C@@H]1CCN(Cc2cncs2)[C@@H](C)C1 ZINC000282409579 385759243 /nfs/dbraw/zinc/75/92/43/385759243.db2.gz SCJZQJREQKBBBA-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)NCc1ncccn1 ZINC000062052577 385760994 /nfs/dbraw/zinc/76/09/94/385760994.db2.gz DCAVEGPOUOUIPH-NSHDSACASA-N 0 1 245.301 2.337 20 0 BEADMN CO[C@@H]1CCN(Cc2ncc(C)s2)[C@H](C)C1 ZINC000282443666 385764424 /nfs/dbraw/zinc/76/44/24/385764424.db2.gz SARXMKVRHHCPOL-MWLCHTKSSA-N 0 1 240.372 2.451 20 0 BEADMN C/C=C/C[C@H](CO)N[C@H](C)c1nccs1 ZINC000186522305 385766390 /nfs/dbraw/zinc/76/63/90/385766390.db2.gz LOSCMDRKHIXFSP-HIHHVFROSA-N 0 1 226.345 2.121 20 0 BEADMN Cc1ccc(F)c(CN2CCN(C3CC3)CC2)c1 ZINC000271062053 385781431 /nfs/dbraw/zinc/78/14/31/385781431.db2.gz XSHRCKWPPPQGHH-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN C[C@@H]1C[C@@H]1CN[C@H](CO)c1c(F)cccc1F ZINC000488436576 385784771 /nfs/dbraw/zinc/78/47/71/385784771.db2.gz XOEHOAUNFGIXCV-KBVBSXBZSA-N 0 1 241.281 2.244 20 0 BEADMN CCc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000259626489 385785098 /nfs/dbraw/zinc/78/50/98/385785098.db2.gz BVFMGARANUIJGO-NSHDSACASA-N 0 1 235.327 2.196 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)C=C2CCC2)n[nH]1 ZINC000270604666 385722841 /nfs/dbraw/zinc/72/28/41/385722841.db2.gz DLAPURHLTMGAMZ-VIFPVBQESA-N 0 1 248.330 2.216 20 0 BEADMN Cc1nocc1CNC(C)(C)COC(C)C ZINC000414548822 385723412 /nfs/dbraw/zinc/72/34/12/385723412.db2.gz KLCMPUDIQVSDBM-UHFFFAOYSA-N 0 1 226.320 2.276 20 0 BEADMN CC[C@@H](CNc1ccnc(C)c1Cl)OC ZINC000336714193 385809557 /nfs/dbraw/zinc/80/95/57/385809557.db2.gz VYAYOWGBXAIMSE-VIFPVBQESA-N 0 1 228.723 2.302 20 0 BEADMN C[C@@H](N(C)Cc1ccn(C)n1)C1(C)CC1 ZINC000271250774 385810140 /nfs/dbraw/zinc/81/01/40/385810140.db2.gz IIQTWBJHSQYOEM-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000294163662 385815528 /nfs/dbraw/zinc/81/55/28/385815528.db2.gz VSZRNZKVSZEWFD-NSHDSACASA-N 0 1 243.310 2.496 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@](C)(N)c1ccccc1 ZINC000261581245 385821282 /nfs/dbraw/zinc/82/12/82/385821282.db2.gz QLLCQBZKXOWFMQ-OSAQELSMSA-N 0 1 246.354 2.165 20 0 BEADMN Cc1nc(CN2CC[C@H]3OCC[C@H]3C2)cs1 ZINC000365849712 385823355 /nfs/dbraw/zinc/82/33/55/385823355.db2.gz QGBSEKGVYXZXQQ-CMPLNLGQSA-N 0 1 238.356 2.062 20 0 BEADMN CO[C@H](CN1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000283642700 385826121 /nfs/dbraw/zinc/82/61/21/385826121.db2.gz CIACASOWRGRXRV-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@H](CSC)N(C)Cc1ccno1 ZINC000271442811 385828507 /nfs/dbraw/zinc/82/85/07/385828507.db2.gz BOUWFVRHCPVNKO-SECBINFHSA-N 0 1 214.334 2.248 20 0 BEADMN COc1nccnc1CN([C@H](C)C(C)C)C1CC1 ZINC000294320009 385836446 /nfs/dbraw/zinc/83/64/46/385836446.db2.gz WODZXSVAWCOLPK-LLVKDONJSA-N 0 1 249.358 2.494 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@@H]2C)n[nH]1 ZINC000294371024 385843129 /nfs/dbraw/zinc/84/31/29/385843129.db2.gz XMSCFIDOLWEYAQ-IUCAKERBSA-N 0 1 221.304 2.014 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H]2C)n[nH]1 ZINC000294371014 385843466 /nfs/dbraw/zinc/84/34/66/385843466.db2.gz XMSCFIDOLWEYAQ-BDAKNGLRSA-N 0 1 221.304 2.014 20 0 BEADMN COCC[C@H](C)Nc1ccnc(C)c1Cl ZINC000336718475 385843688 /nfs/dbraw/zinc/84/36/88/385843688.db2.gz YMNAHUJKOWYHTB-QMMMGPOBSA-N 0 1 228.723 2.302 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c(C)c1 ZINC000076615348 385844130 /nfs/dbraw/zinc/84/41/30/385844130.db2.gz QYLKHSKUUJYQRI-UHFFFAOYSA-N 0 1 233.311 2.352 20 0 BEADMN CC[C@@H](NCCF)c1ccc2c(c1)OCCO2 ZINC000271657119 385844635 /nfs/dbraw/zinc/84/46/35/385844635.db2.gz JMEXBQOKJLGODR-LLVKDONJSA-N 0 1 239.290 2.468 20 0 BEADMN CCN(CC1CC1)C(=O)c1ccc2cncn2c1 ZINC000284020892 385847004 /nfs/dbraw/zinc/84/70/04/385847004.db2.gz OQAHTNJHJQRHTQ-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN CCCCN(CCCO)Cc1nc(C)cs1 ZINC000271807232 385850497 /nfs/dbraw/zinc/85/04/97/385850497.db2.gz XUXJNZCCSBKYRM-UHFFFAOYSA-N 0 1 242.388 2.436 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1nccs1 ZINC000308290366 385788494 /nfs/dbraw/zinc/78/84/94/385788494.db2.gz DNECBMPWZRXXDO-YUMQZZPRSA-N 0 1 214.359 2.127 20 0 BEADMN COC[C@@H](C)N(C)Cc1sccc1OC ZINC000271137312 385793864 /nfs/dbraw/zinc/79/38/64/385793864.db2.gz UNDVQMQFPGKDSE-SECBINFHSA-N 0 1 229.345 2.223 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000294710394 385885522 /nfs/dbraw/zinc/88/55/22/385885522.db2.gz VWZYANDIRSTFDS-UWVGGRQHSA-N 0 1 236.319 2.268 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000262810789 385889649 /nfs/dbraw/zinc/88/96/49/385889649.db2.gz YDAPIZRAPDAHBQ-ZDUSSCGKSA-N 0 1 248.326 2.038 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nccnc1OC ZINC000294758931 385892170 /nfs/dbraw/zinc/89/21/70/385892170.db2.gz IQANKLHILKZUCZ-LLVKDONJSA-N 0 1 237.347 2.353 20 0 BEADMN COc1nccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000294781534 385896304 /nfs/dbraw/zinc/89/63/04/385896304.db2.gz KDBCKDNBCPMGAA-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC000294781534 385896307 /nfs/dbraw/zinc/89/63/07/385896307.db2.gz KDBCKDNBCPMGAA-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@]1(C)CCCN(Cc2ccnc(OC)n2)C1 ZINC000294869214 385907693 /nfs/dbraw/zinc/90/76/93/385907693.db2.gz QAHWXVFOJMBIKN-CQSZACIVSA-N 0 1 249.358 2.497 20 0 BEADMN CCC[C@]1(NCc2cc(C)no2)CCOC1 ZINC000336741723 385907809 /nfs/dbraw/zinc/90/78/09/385907809.db2.gz RIULRDFWQMPEJJ-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN CN(Cc1ccon1)CC1CC(F)(F)C1 ZINC000294884546 385909672 /nfs/dbraw/zinc/90/96/72/385909672.db2.gz FTRIMGFYMQQRFM-UHFFFAOYSA-N 0 1 216.231 2.152 20 0 BEADMN Cc1nc(CN2C[C@@H]3CCC[C@H]3C2)co1 ZINC000647966573 385911090 /nfs/dbraw/zinc/91/10/90/385911090.db2.gz ZKBZIRPDGQARTL-QWRGUYRKSA-N 0 1 206.289 2.215 20 0 BEADMN Clc1cccc(NCc2n[nH]c(C3CC3)n2)n1 ZINC000294904736 385914814 /nfs/dbraw/zinc/91/48/14/385914814.db2.gz HPEZVWQJCOYRKA-UHFFFAOYSA-N 0 1 249.705 2.343 20 0 BEADMN CS[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000294912447 385914981 /nfs/dbraw/zinc/91/49/81/385914981.db2.gz AHEVXYWGPCHYNH-NSHDSACASA-N 0 1 226.320 2.158 20 0 BEADMN CN(CCO)Cc1ccc(Oc2ccccc2)o1 ZINC000272582754 385915488 /nfs/dbraw/zinc/91/54/88/385915488.db2.gz QSUCVHJLYGZOBG-UHFFFAOYSA-N 0 1 247.294 2.496 20 0 BEADMN Clc1cccnc1NCc1n[nH]c(C2CC2)n1 ZINC000294934872 385921251 /nfs/dbraw/zinc/92/12/51/385921251.db2.gz KNNDEFRODGXBGV-UHFFFAOYSA-N 0 1 249.705 2.343 20 0 BEADMN Cc1cnccc1CN(C)C[C@@H]1CCCCO1 ZINC000294948533 385923663 /nfs/dbraw/zinc/92/36/63/385923663.db2.gz VKLZBTRWOZVIQD-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(C)nc1C ZINC000289464005 385926922 /nfs/dbraw/zinc/92/69/22/385926922.db2.gz IJCNMUJKNJNADS-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN CC[C@H]1CCCCN1Cc1nccnc1OC ZINC000294549621 385865403 /nfs/dbraw/zinc/86/54/03/385865403.db2.gz KHSZKWSMXRDTGJ-NSHDSACASA-N 0 1 235.331 2.250 20 0 BEADMN CO[C@H](C[N@H+]1CC[C@H](OC)C1)c1ccccc1 ZINC000284381370 385867014 /nfs/dbraw/zinc/86/70/14/385867014.db2.gz MASSTLLYGLBLOD-UONOGXRCSA-N 0 1 235.327 2.095 20 0 BEADMN Fc1ccc([C@@H](NC2CCC2)c2nnc[nH]2)cc1 ZINC000294564467 385868539 /nfs/dbraw/zinc/86/85/39/385868539.db2.gz BPUZWKLUXZINHH-GFCCVEGCSA-N 0 1 246.289 2.175 20 0 BEADMN CCN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284510787 385872311 /nfs/dbraw/zinc/87/23/11/385872311.db2.gz YKWJLFYCNZKLEA-UHFFFAOYSA-N 0 1 207.321 2.226 20 0 BEADMN Cc1cc(C2CCN(C(=O)C(C)(C)C)CC2)n[nH]1 ZINC000272057827 385872508 /nfs/dbraw/zinc/87/25/08/385872508.db2.gz FYYVQPRELAHMHM-UHFFFAOYSA-N 0 1 249.358 2.470 20 0 BEADMN CSc1n[nH]c(NC(=O)CCCC(C)C)n1 ZINC000294630457 385877117 /nfs/dbraw/zinc/87/71/17/385877117.db2.gz FZQIHMTVQGPLJK-UHFFFAOYSA-N 0 1 242.348 2.291 20 0 BEADMN Cc1cc(C2CCN(C(=O)C3CCC3)CC2)n[nH]1 ZINC000272153142 385880156 /nfs/dbraw/zinc/88/01/56/385880156.db2.gz WJHQADPGFCDRRD-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N[C@H](C)c1nnc[nH]1 ZINC000295131636 385975804 /nfs/dbraw/zinc/97/58/04/385975804.db2.gz JYABDHDBBDCKDO-DTWKUNHWSA-N 0 1 240.307 2.027 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1cc2n(n1)CCC2 ZINC000414131629 385978439 /nfs/dbraw/zinc/97/84/39/385978439.db2.gz ZVYYGFVIVUKWKG-MDZLAQPJSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)nc1C ZINC000414622079 385979283 /nfs/dbraw/zinc/97/92/83/385979283.db2.gz BFKUXSFKTSNHPZ-UHFFFAOYSA-N 0 1 244.298 2.086 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CC[C@H](C)O2)n1 ZINC000414621745 385979690 /nfs/dbraw/zinc/97/96/90/385979690.db2.gz MCNJQESNHCSBDJ-AEJSXWLSSA-N 0 1 239.319 2.356 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000414132617 385981157 /nfs/dbraw/zinc/98/11/57/385981157.db2.gz AUVDTARVJWWVPE-RVMXOQNASA-N 0 1 249.358 2.435 20 0 BEADMN CC/C(C)=C/C(=O)Nc1ccc2[nH]nnc2c1 ZINC000295192760 385987044 /nfs/dbraw/zinc/98/70/44/385987044.db2.gz VCFUOEBVKVXLQQ-SOFGYWHQSA-N 0 1 230.271 2.253 20 0 BEADMN CCOC[C@H](N[C@@H](C)c1nccn1C)C(C)C ZINC000189355588 385987794 /nfs/dbraw/zinc/98/77/94/385987794.db2.gz SGIDKKNTGHMFGA-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000309141769 385987833 /nfs/dbraw/zinc/98/78/33/385987833.db2.gz ZIUWIWWFNFJPIC-TUAOUCFPSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1cc(C)n(CCN(C)Cc2ccccn2)n1 ZINC000295197670 385990220 /nfs/dbraw/zinc/99/02/20/385990220.db2.gz SAWHPWDZYLRJDA-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@@H]2CC)n1 ZINC000286050462 385992393 /nfs/dbraw/zinc/99/23/93/385992393.db2.gz ISIXOCQDLLVMPY-CMPLNLGQSA-N 0 1 249.358 2.413 20 0 BEADMN CS[C@@H](C)CCc1nc(C2(N)CCC2)no1 ZINC000414627583 385992880 /nfs/dbraw/zinc/99/28/80/385992880.db2.gz LZFPYZSXDUDQMR-QMMMGPOBSA-N 0 1 241.360 2.092 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H](N)c1ccccc1C ZINC000294985879 385932951 /nfs/dbraw/zinc/93/29/51/385932951.db2.gz HDPLSOWWOQVQHO-RISCZKNCSA-N 0 1 248.370 2.499 20 0 BEADMN C[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000285494370 385933660 /nfs/dbraw/zinc/93/36/60/385933660.db2.gz CGKONVARCSZJIB-GHMZBOCLSA-N 0 1 243.310 2.182 20 0 BEADMN Cc1nnsc1CNCc1ccc(C)cc1 ZINC000291742368 385935643 /nfs/dbraw/zinc/93/56/43/385935643.db2.gz OZTIBVDFEKKOMM-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CS[C@H](C)CCc1nc(C2(N)CCC2)no1 ZINC000414627579 385993128 /nfs/dbraw/zinc/99/31/28/385993128.db2.gz LZFPYZSXDUDQMR-MRVPVSSYSA-N 0 1 241.360 2.092 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000414145174 385993039 /nfs/dbraw/zinc/99/30/39/385993039.db2.gz NTDHNMFACOQGOH-WYUUTHIRSA-N 0 1 235.331 2.046 20 0 BEADMN COc1nccnc1CN1C[C@H](C)CC[C@H]1C ZINC000294997901 385937436 /nfs/dbraw/zinc/93/74/36/385937436.db2.gz YMMJXWNZPRJJOC-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CS[C@H]1CCN(Cc2cc(O)cc(F)c2)C1 ZINC000294992929 385937655 /nfs/dbraw/zinc/93/76/55/385937655.db2.gz HSQJVIZGFZIJAA-LBPRGKRZSA-N 0 1 241.331 2.469 20 0 BEADMN CS[C@@H]1CCN(Cc2ncc(C)s2)C1 ZINC000295003625 385942261 /nfs/dbraw/zinc/94/22/61/385942261.db2.gz ISSFMFJWCZSDHR-SECBINFHSA-N 0 1 228.386 2.389 20 0 BEADMN CCOc1cccc(CN[C@@H]2C[C@H]2C(F)F)n1 ZINC000342185287 385942372 /nfs/dbraw/zinc/94/23/72/385942372.db2.gz CJWYTGFGTAXTSD-NXEZZACHSA-N 0 1 242.269 2.224 20 0 BEADMN COCC(C)(C)N(C)Cc1cncn1C(C)C ZINC000425391588 385942712 /nfs/dbraw/zinc/94/27/12/385942712.db2.gz ZWPJSFGJJALTGO-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN C[N@@H+](CCCCc1ccccc1)CC(=O)[O-] ZINC000123939027 385943041 /nfs/dbraw/zinc/94/30/41/385943041.db2.gz YZUKGEMHHZKUSL-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN CC(C)CC[C@@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000295022915 385943475 /nfs/dbraw/zinc/94/34/75/385943475.db2.gz CLGGLODKWSWPBK-YPMHNXCESA-N 0 1 249.358 2.022 20 0 BEADMN CSC[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414067361 385945728 /nfs/dbraw/zinc/94/57/28/385945728.db2.gz ANOVEAWBRITHSE-NXEZZACHSA-N 0 1 239.388 2.231 20 0 BEADMN CCC[C@H](C)CN(C)Cc1nccn1C ZINC000272885451 385945800 /nfs/dbraw/zinc/94/58/00/385945800.db2.gz YLDCHZRRENZTTD-NSHDSACASA-N 0 1 209.337 2.288 20 0 BEADMN CCC[C@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000295025457 385947115 /nfs/dbraw/zinc/94/71/15/385947115.db2.gz RBYNFGMMRDRVBE-JTQLQIEISA-N 0 1 242.388 2.437 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2[C@H](C)C2(F)F)n1 ZINC000414614285 385950105 /nfs/dbraw/zinc/95/01/05/385950105.db2.gz GZYIEGZYJIRFQD-FXQIFTODSA-N 0 1 245.273 2.484 20 0 BEADMN CN(Cc1ccco1)[C@H](CO)c1ccccc1 ZINC000295034723 385950148 /nfs/dbraw/zinc/95/01/48/385950148.db2.gz MAROSYSHCIUXML-CQSZACIVSA-N 0 1 231.295 2.445 20 0 BEADMN NC1(c2noc([C@H]3CCC[C@H](F)C3)n2)CCC1 ZINC000335059457 385961412 /nfs/dbraw/zinc/96/14/12/385961412.db2.gz MTKQWYAJFLBEHR-IUCAKERBSA-N 0 1 239.294 2.403 20 0 BEADMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(N(C)C)c1 ZINC000643254803 385994069 /nfs/dbraw/zinc/99/40/69/385994069.db2.gz LGWKTNRDPMSCCP-DOMZBBRYSA-N 0 1 248.370 2.098 20 0 BEADMN C[C@H](NC[C@]1(C)CCCO1)c1cc2n(n1)CCC2 ZINC000414099401 385962704 /nfs/dbraw/zinc/96/27/04/385962704.db2.gz JPCNZEIDCOLUAC-FZMZJTMJSA-N 0 1 249.358 2.049 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H]2C=C[C@@H](CO)C2)o1 ZINC000345053575 385962935 /nfs/dbraw/zinc/96/29/35/385962935.db2.gz UWIGKYSDKXZJMJ-QJPTWQEYSA-N 0 1 221.300 2.176 20 0 BEADMN CO[C@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000289985598 385963394 /nfs/dbraw/zinc/96/33/94/385963394.db2.gz YCTLJWAUBJKRGR-SCZZXKLOSA-N 0 1 212.293 2.059 20 0 BEADMN FC(F)[C@@H]1C[C@H]1NCc1cccc2c1OCO2 ZINC000342220069 385963505 /nfs/dbraw/zinc/96/35/05/385963505.db2.gz SUQYHLNFUXEODA-RKDXNWHRSA-N 0 1 241.237 2.159 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H]2C=C[C@@H](CO)C2)o1 ZINC000345049916 385963692 /nfs/dbraw/zinc/96/36/92/385963692.db2.gz HMKSJXNUBGGHIQ-QJPTWQEYSA-N 0 1 235.327 2.430 20 0 BEADMN CS[C@H]1CCN(Cc2cncs2)C1 ZINC000295102684 385967253 /nfs/dbraw/zinc/96/72/53/385967253.db2.gz TWLFXTXAGWXNEJ-QMMMGPOBSA-N 0 1 214.359 2.080 20 0 BEADMN CC[C@H](NCc1ccccc1F)[C@@H](O)C(F)F ZINC000295113543 385969525 /nfs/dbraw/zinc/96/95/25/385969525.db2.gz VIUIQDJTFQCOFF-WDEREUQCSA-N 0 1 247.260 2.320 20 0 BEADMN Cc1cnc(CN[C@@H]2CCCSC2)s1 ZINC000128301342 385971347 /nfs/dbraw/zinc/97/13/47/385971347.db2.gz XCAOBTOBBXNCEY-SECBINFHSA-N 0 1 228.386 2.437 20 0 BEADMN CCOC[C@@H](N[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414123377 385972573 /nfs/dbraw/zinc/97/25/73/385972573.db2.gz BEYCWLYYUHIMBD-WCQYABFASA-N 0 1 239.363 2.132 20 0 BEADMN CC[C@@H](C)OCc1nc([C@@H](N)CC(C)C)no1 ZINC000414619732 385972820 /nfs/dbraw/zinc/97/28/20/385972820.db2.gz OMPYDGCSZHQGGA-ZJUUUORDSA-N 0 1 241.335 2.431 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285861694 385972993 /nfs/dbraw/zinc/97/29/93/385972993.db2.gz ZSVBIFSLGPAEIT-IWSPIJDZSA-N 0 1 244.285 2.434 20 0 BEADMN CCc1ccnc(-c2nc(C3(N)CCC3)no2)c1 ZINC000414628104 385997239 /nfs/dbraw/zinc/99/72/39/385997239.db2.gz NMGZKEBZKPHFSL-UHFFFAOYSA-N 0 1 244.298 2.032 20 0 BEADMN CN[C@@H](C)c1cn(C[C@@H](C)CC(C)C)nn1 ZINC000309274435 385999415 /nfs/dbraw/zinc/99/94/15/385999415.db2.gz FEVCBNQMFFCSDN-QWRGUYRKSA-N 0 1 224.352 2.241 20 0 BEADMN CN[C@H](C)c1cn(C[C@H](C)CC(C)C)nn1 ZINC000309274433 386000829 /nfs/dbraw/zinc/00/08/29/386000829.db2.gz FEVCBNQMFFCSDN-GHMZBOCLSA-N 0 1 224.352 2.241 20 0 BEADMN CCC[C@H](OC)c1nc(C2(N)CCCC2)no1 ZINC000414629177 386001498 /nfs/dbraw/zinc/00/14/98/386001498.db2.gz PYNGREQMFHAEJD-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)CCCC(C)C)n[nH]1 ZINC000414245800 386055813 /nfs/dbraw/zinc/05/58/13/386055813.db2.gz MQRHZKQHRCISNS-ABKXIKBNSA-N 0 1 243.376 2.359 20 0 BEADMN CC(C)c1cc(-c2nc(C3(N)CCC3)no2)no1 ZINC000414630386 386004775 /nfs/dbraw/zinc/00/47/75/386004775.db2.gz TZNBRIPQMZIBKU-UHFFFAOYSA-N 0 1 248.286 2.186 20 0 BEADMN CCN1C[C@H](C)N(c2ncccc2F)C[C@H]1C ZINC000345192655 386056270 /nfs/dbraw/zinc/05/62/70/386056270.db2.gz VGWUTEQDBJPVJQ-MNOVXSKESA-N 0 1 237.322 2.140 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCCC[C@@H]1C ZINC000182981883 386017638 /nfs/dbraw/zinc/01/76/38/386017638.db2.gz GVYKMFFKGBNLNK-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN COc1ncncc1CN(C)C1CCC(C)CC1 ZINC000647999989 386017793 /nfs/dbraw/zinc/01/77/93/386017793.db2.gz JNEJUWULIIPOJM-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(C(C)=O)cc1 ZINC000295357001 386018574 /nfs/dbraw/zinc/01/85/74/386018574.db2.gz RFRUXROMJWZLFS-LLVKDONJSA-N 0 1 235.327 2.356 20 0 BEADMN CSCCc1nc([C@@H](N)CC(C)C)no1 ZINC000336752987 386021286 /nfs/dbraw/zinc/02/12/86/386021286.db2.gz WDDKRLCOJUGSRO-QMMMGPOBSA-N 0 1 229.349 2.021 20 0 BEADMN CC[C@@H](C)CONC(=O)c1cn[nH]c1C(C)C ZINC000295400104 386025515 /nfs/dbraw/zinc/02/55/15/386025515.db2.gz SKENNXTVODCENC-SECBINFHSA-N 0 1 239.319 2.241 20 0 BEADMN Cc1nnc(CN2C[C@H]3CCC[C@@H]3C2)s1 ZINC000334421700 386025905 /nfs/dbraw/zinc/02/59/05/386025905.db2.gz DEVISCCFLPVXII-NXEZZACHSA-N 0 1 223.345 2.078 20 0 BEADMN CCC[C@H](O)CN(C)Cc1cnc(C)s1 ZINC000295434862 386031988 /nfs/dbraw/zinc/03/19/88/386031988.db2.gz FYTYZAAPCCRTOE-JTQLQIEISA-N 0 1 228.361 2.044 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)n[nH]1 ZINC000273760986 386032379 /nfs/dbraw/zinc/03/23/79/386032379.db2.gz WXASNXQZVVXVQN-SNVBAGLBSA-N 0 1 249.358 2.480 20 0 BEADMN CCCCCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000117883705 386036251 /nfs/dbraw/zinc/03/62/51/386036251.db2.gz YHCPPIGTQWTOII-LLVKDONJSA-N 0 1 247.404 2.074 20 0 BEADMN CCC[C@H](C)CC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286415201 386036240 /nfs/dbraw/zinc/03/62/40/386036240.db2.gz PIVUYGVYXFLQGD-DTWKUNHWSA-N 0 1 238.335 2.117 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H](C)c2ccn(C)n2)C12CCC2 ZINC000414200661 386037090 /nfs/dbraw/zinc/03/70/90/386037090.db2.gz XOAHVULGBZVCRF-WCFLWFBJSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1cccc(CN2CCSC[C@H]2C)n1 ZINC000334428197 386037764 /nfs/dbraw/zinc/03/77/64/386037764.db2.gz SCPDQKVHBGOYBD-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)C1CC1 ZINC000335074629 386039712 /nfs/dbraw/zinc/03/97/12/386039712.db2.gz CLEUFPTWULBSCM-UHFFFAOYSA-N 0 1 213.183 2.019 20 0 BEADMN CCN(CCCO)Cc1cc(OC)ccc1F ZINC000295493014 386041121 /nfs/dbraw/zinc/04/11/21/386041121.db2.gz XULWARDFAZOXHV-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CCCC[C@@H](COC)NCc1ccn(CC)n1 ZINC000414204634 386041166 /nfs/dbraw/zinc/04/11/66/386041166.db2.gz GFLXHIMFFSYWKQ-ZDUSSCGKSA-N 0 1 239.363 2.198 20 0 BEADMN CCCC(=O)Nc1ccc(F)c(F)c1O ZINC000335076203 386045670 /nfs/dbraw/zinc/04/56/70/386045670.db2.gz NRXLXUNFHKAYOC-UHFFFAOYSA-N 0 1 215.199 2.409 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccnc1 ZINC000222477097 386046086 /nfs/dbraw/zinc/04/60/86/386046086.db2.gz ULRJDXVBWDUESW-ZJUUUORDSA-N 0 1 216.288 2.217 20 0 BEADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cn[nH]c1 ZINC000222458554 386047174 /nfs/dbraw/zinc/04/71/74/386047174.db2.gz GFIFZRKTGHLSAX-IUCAKERBSA-N 0 1 234.278 2.356 20 0 BEADMN COC[C@@H]1C[N@H+]([C@@H]2/C=C/CCCCC2)CCO1 ZINC000334440124 386050933 /nfs/dbraw/zinc/05/09/33/386050933.db2.gz VWWUDCGMOAFKNY-UMGRQFOVSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@@H]1CN([C@@H]2/C=C/CCCCC2)CCO1 ZINC000334440124 386050939 /nfs/dbraw/zinc/05/09/39/386050939.db2.gz VWWUDCGMOAFKNY-UMGRQFOVSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cc(CN(C)CC2CC(F)(F)C2)no1 ZINC000295569832 386052695 /nfs/dbraw/zinc/05/26/95/386052695.db2.gz RBDLMUWCTLBWAP-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CC(C)c1nc(C[S@@](=O)CC(C)(C)C)n[nH]1 ZINC000414244734 386055478 /nfs/dbraw/zinc/05/54/78/386055478.db2.gz QHKCWRUXBLLPDI-MRXNPFEDSA-N 0 1 243.376 2.223 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)c(O)c1 ZINC000414627680 385996737 /nfs/dbraw/zinc/99/67/37/385996737.db2.gz MGKBCDRKGXRTEG-UHFFFAOYSA-N 0 1 245.282 2.089 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](O)C1)c1cccc(F)c1F ZINC000295902873 386103699 /nfs/dbraw/zinc/10/36/99/386103699.db2.gz IPBDAVBDSCRDPK-XHNCKOQMSA-N 0 1 227.254 2.139 20 0 BEADMN COC1([C@H](C)N[C@@H](C)c2ccn(C)n2)CCC1 ZINC000414297677 386105427 /nfs/dbraw/zinc/10/54/27/386105427.db2.gz GMABFRODPNWAEL-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cc(CNc2cc3c(cn2)CCC3)nn1C ZINC000414296376 386105787 /nfs/dbraw/zinc/10/57/87/386105787.db2.gz FHUYIURERBOYSK-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc(C)ccc1C ZINC000037982984 386107311 /nfs/dbraw/zinc/10/73/11/386107311.db2.gz KYGJSKXJSAKSMS-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CN(CC[N@@H+](C)C1CC1)c1nc2ccccc2o1 ZINC000274469778 386109637 /nfs/dbraw/zinc/10/96/37/386109637.db2.gz MFUORHPYPRKFCG-UHFFFAOYSA-N 0 1 245.326 2.358 20 0 BEADMN CCC1(NC(=O)c2ccc3cncn3c2)CC1 ZINC000295941364 386111467 /nfs/dbraw/zinc/11/14/67/386111467.db2.gz QCNUNCSUKJSODR-UHFFFAOYSA-N 0 1 229.283 2.007 20 0 BEADMN CC[C@@H]1CCCN([C@H](C)c2nncn2C)CC1 ZINC000334457121 386112128 /nfs/dbraw/zinc/11/21/28/386112128.db2.gz IBRJNWWQUCXNCF-VXGBXAGGSA-N 0 1 236.363 2.388 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1C ZINC000038024711 386115093 /nfs/dbraw/zinc/11/50/93/386115093.db2.gz HDHWFDINHVFXFL-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN Cc1noc(CN[C@@H](C)C2CCCCC2)n1 ZINC000038034112 386115512 /nfs/dbraw/zinc/11/55/12/386115512.db2.gz QSBPPQVNPVADAI-VIFPVBQESA-N 0 1 223.320 2.436 20 0 BEADMN CC/C=C/CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000365479703 386121848 /nfs/dbraw/zinc/12/18/48/386121848.db2.gz WAYOGBJSMYFURJ-HDOBRADBSA-N 0 1 229.389 2.186 20 0 BEADMN CC/C=C/CCN1CC[S@](=O)CC[C@@H]1C ZINC000365479703 386121852 /nfs/dbraw/zinc/12/18/52/386121852.db2.gz WAYOGBJSMYFURJ-HDOBRADBSA-N 0 1 229.389 2.186 20 0 BEADMN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000295638810 386066135 /nfs/dbraw/zinc/06/61/35/386066135.db2.gz BZBSIAUHRTVLIH-AXFHLTTASA-N 0 1 248.326 2.495 20 0 BEADMN c1nc2cc(-c3noc(C4CC4)n3)ccc2[nH]1 ZINC000274075705 386066896 /nfs/dbraw/zinc/06/68/96/386066896.db2.gz YRMGGSOMYUNMJP-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000414213408 386067290 /nfs/dbraw/zinc/06/72/90/386067290.db2.gz RCSYHFCPHIHKIL-QCNOEVLYSA-N 0 1 235.331 2.046 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000414213410 386068099 /nfs/dbraw/zinc/06/80/99/386068099.db2.gz RCSYHFCPHIHKIL-USZNOCQGSA-N 0 1 235.331 2.046 20 0 BEADMN COc1cc(CN2CC=C(C)CC2)ccn1 ZINC000334440928 386070593 /nfs/dbraw/zinc/07/05/93/386070593.db2.gz YNTGBQKTYXHXJI-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN C[C@@H]1[C@H](C)N(Cc2ncc(C3CC3)o2)CCN1C ZINC000334447579 386075001 /nfs/dbraw/zinc/07/50/01/386075001.db2.gz QIIFTLRCZCCMSM-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CS[C@@H](C)C1 ZINC000414224280 386076113 /nfs/dbraw/zinc/07/61/13/386076113.db2.gz HKUAUGCRNMCHHP-GARJFASQSA-N 0 1 239.388 2.448 20 0 BEADMN CCc1ncc(CNCc2ccc(F)cc2)cn1 ZINC000414233041 386078042 /nfs/dbraw/zinc/07/80/42/386078042.db2.gz BETXRLVGMOMWAT-UHFFFAOYSA-N 0 1 245.301 2.468 20 0 BEADMN C(CC1CC1)c1noc(C23CCCN2CCC3)n1 ZINC000351264182 386086129 /nfs/dbraw/zinc/08/61/29/386086129.db2.gz GIIDNFAJFYIKPU-UHFFFAOYSA-N 0 1 247.342 2.497 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000345283069 386088474 /nfs/dbraw/zinc/08/84/74/386088474.db2.gz JBQKTHGNLLFOKD-NHCYSSNCSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1ccc(CN2CCC[C@@](F)(CO)C2)cc1 ZINC000286988638 386088494 /nfs/dbraw/zinc/08/84/94/386088494.db2.gz QGJKSDAKDYICNY-AWEZNQCLSA-N 0 1 237.318 2.291 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](O)C1)c1cc(F)ccc1F ZINC000295846207 386095631 /nfs/dbraw/zinc/09/56/31/386095631.db2.gz DPLJFGPPGFKWHN-UJNFCWOMSA-N 0 1 227.254 2.139 20 0 BEADMN C[C@@H](NCCOCC(F)F)c1nccs1 ZINC000189944257 386123310 /nfs/dbraw/zinc/12/33/10/386123310.db2.gz LZPRSRACQQKZBA-SSDOTTSWSA-N 0 1 236.287 2.075 20 0 BEADMN Cc1ccoc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335154717 386149026 /nfs/dbraw/zinc/14/90/26/386149026.db2.gz FGKVXZDFTUTONZ-UWVGGRQHSA-N 0 1 209.314 2.278 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1nccn1C ZINC000414352144 386155823 /nfs/dbraw/zinc/15/58/23/386155823.db2.gz SSCAUUNSCZGIIC-HBNTYKKESA-N 0 1 231.299 2.220 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000334605144 386158998 /nfs/dbraw/zinc/15/89/98/386158998.db2.gz XYLDGDONPPQWAQ-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCC1(C)CCN(C(=O)c2cnc[nH]2)CC1 ZINC000263648133 386160932 /nfs/dbraw/zinc/16/09/32/386160932.db2.gz CXXPCSXSJIIKGT-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CCc1ccc(CN2CCC[C@H](OC)C2)nc1 ZINC000338961025 386190444 /nfs/dbraw/zinc/19/04/44/386190444.db2.gz PEYUYUATJWYOFA-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CCOc1cccc([C@H](C)NCc2c[nH]nn2)c1 ZINC000296341200 386163142 /nfs/dbraw/zinc/16/31/42/386163142.db2.gz QFBWJTXVEQIDJG-JTQLQIEISA-N 0 1 246.314 2.054 20 0 BEADMN C[C@@H](NCc1ccccc1N(C)C)c1cn[nH]c1 ZINC000275206832 386190379 /nfs/dbraw/zinc/19/03/79/386190379.db2.gz RKHBYADWYSRXPF-LLVKDONJSA-N 0 1 244.342 2.327 20 0 BEADMN CC(C)(C(=O)N[C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000288054247 386163928 /nfs/dbraw/zinc/16/39/28/386163928.db2.gz FVANETNUUVGALC-NSHDSACASA-N 0 1 247.342 2.340 20 0 BEADMN CCC1(NC(=O)c2[nH]nc(C)c2C)CCCC1 ZINC000296329003 386164783 /nfs/dbraw/zinc/16/47/83/386164783.db2.gz TXIGCTKNGSQZSH-UHFFFAOYSA-N 0 1 235.331 2.479 20 0 BEADMN CCN(CC(C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000346139380 386165042 /nfs/dbraw/zinc/16/50/42/386165042.db2.gz ROEBZYJZYRMANJ-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCCC[C@H]1C ZINC000346137770 386165077 /nfs/dbraw/zinc/16/50/77/386165077.db2.gz JAFTZUCDQIHCMV-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H](Cc1ccccc1F)NC(=O)C(F)(F)F ZINC000263658958 386165103 /nfs/dbraw/zinc/16/51/03/386165103.db2.gz IFCLSSUVBRZLHH-SSDOTTSWSA-N 0 1 249.207 2.435 20 0 BEADMN CC1(C)CC(C(=O)Nc2ccc3[nH]nnc3c2)C1 ZINC000334478906 386165976 /nfs/dbraw/zinc/16/59/76/386165976.db2.gz RIZSREVNNNDSNK-UHFFFAOYSA-N 0 1 244.298 2.333 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@](C)(O)C2)c1 ZINC000296440496 386174035 /nfs/dbraw/zinc/17/40/35/386174035.db2.gz ZIXWWAIBZZPCDB-HNNXBMFYSA-N 0 1 247.338 2.236 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000263765106 386174248 /nfs/dbraw/zinc/17/42/48/386174248.db2.gz YPVBZMSYVFOAAP-QWHCGFSZSA-N 0 1 247.338 2.346 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@H]2CCn3ccnc32)C1(C)C ZINC000453130226 386182692 /nfs/dbraw/zinc/18/26/92/386182692.db2.gz YRNCGTFEJRODDZ-MISXGVKJSA-N 0 1 249.358 2.121 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC1(C)C ZINC000346200024 386183877 /nfs/dbraw/zinc/18/38/77/386183877.db2.gz QSAJOWFIASONCX-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000647879857 386185043 /nfs/dbraw/zinc/18/50/43/386185043.db2.gz NHLWUXNKZUMGOV-LDYMZIIASA-N 0 1 240.734 2.255 20 0 BEADMN CC1(C)CC(C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000528421535 386125106 /nfs/dbraw/zinc/12/51/06/386125106.db2.gz ABZKWXGTYMNNBB-UHFFFAOYSA-N 0 1 239.359 2.262 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccn(C)n1 ZINC000414349138 386130373 /nfs/dbraw/zinc/13/03/73/386130373.db2.gz OWFVEZAUEXNKLQ-CKYFFXLPSA-N 0 1 231.299 2.220 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC(C)(C)C1 ZINC000335131624 386131197 /nfs/dbraw/zinc/13/11/97/386131197.db2.gz CKAMPPUFBOJWPD-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)n2)CC(C)(C)C1 ZINC000335131624 386131201 /nfs/dbraw/zinc/13/12/01/386131201.db2.gz CKAMPPUFBOJWPD-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN CO[C@@H](CN1CCCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC000425463812 386132563 /nfs/dbraw/zinc/13/25/63/386132563.db2.gz YNWFPAZHILBJDL-KGLIPLIRSA-N 0 1 249.358 2.362 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000334467840 386140238 /nfs/dbraw/zinc/14/02/38/386140238.db2.gz WZFHEIVSLLUGFL-BDAKNGLRSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@@H](CN(C)Cc1nnc[nH]1)C1CCCCC1 ZINC000339017996 386211805 /nfs/dbraw/zinc/21/18/05/386211805.db2.gz YJKDUZCHMUHNAC-NSHDSACASA-N 0 1 236.363 2.453 20 0 BEADMN C[C@@H](CF)NCc1cnn(-c2ccccc2)c1 ZINC000288520960 386213302 /nfs/dbraw/zinc/21/33/02/386213302.db2.gz UPVZRTMZEOQMLK-NSHDSACASA-N 0 1 233.290 2.320 20 0 BEADMN CCC1(C)CN(Cc2cnn(CC(F)F)c2)C1 ZINC000297472195 386259847 /nfs/dbraw/zinc/25/98/47/386259847.db2.gz SOWUQCZWAOYFLP-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CCCCO1 ZINC000264268171 386223000 /nfs/dbraw/zinc/22/30/00/386223000.db2.gz LFIDZEOGCDLWJI-CYBMUJFWSA-N 0 1 220.316 2.083 20 0 BEADMN COC(CN(Cc1ccco1)C(C)C)OC ZINC000275613411 386225107 /nfs/dbraw/zinc/22/51/07/386225107.db2.gz NGNNSSLTXSFVPV-UHFFFAOYSA-N 0 1 227.304 2.109 20 0 BEADMN C[C@H]1N(CCOC2CCC2)CCOC1(C)C ZINC000347044520 386229186 /nfs/dbraw/zinc/22/91/86/386229186.db2.gz FOEHSFHBQZORRW-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN CC1(C(=O)NCc2ccc3cncn3c2)CCC1 ZINC000297200715 386232945 /nfs/dbraw/zinc/23/29/45/386232945.db2.gz LMTQBMRMIWNIIA-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cncnc1OC ZINC000648001716 386239445 /nfs/dbraw/zinc/23/94/45/386239445.db2.gz FMVRTMGCTXIDHR-SNVBAGLBSA-N 0 1 223.320 2.106 20 0 BEADMN Cc1csc(CN(C)[C@H]2CC[C@H](O)CC2)n1 ZINC000275824389 386243201 /nfs/dbraw/zinc/24/32/01/386243201.db2.gz HQIKUBMYEGCQPB-XYPYZODXSA-N 0 1 240.372 2.187 20 0 BEADMN C(O[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1)C1CC1 ZINC000339092273 386244272 /nfs/dbraw/zinc/24/42/72/386244272.db2.gz DWPUEGOKUSGDFN-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN c1ncc(CN2CC(C3CCCCC3)C2)cn1 ZINC000297367799 386247914 /nfs/dbraw/zinc/24/79/14/386247914.db2.gz HJPIZIXESLIPFN-UHFFFAOYSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cnn[nH]1 ZINC000297380030 386248407 /nfs/dbraw/zinc/24/84/07/386248407.db2.gz DHOQGIXLGUYAKP-DGCLKSJQSA-N 0 1 242.326 2.183 20 0 BEADMN Cc1ccncc1CCCN1C[C@@H](C)OC[C@@H]1C ZINC000288997571 386250339 /nfs/dbraw/zinc/25/03/39/386250339.db2.gz DSPRWBKEGQJIRC-UONOGXRCSA-N 0 1 248.370 2.432 20 0 BEADMN CN(CCOCC1CC1)Cc1ccoc1 ZINC000336645575 386252652 /nfs/dbraw/zinc/25/26/52/386252652.db2.gz IDVMHSDTSZNGFW-UHFFFAOYSA-N 0 1 209.289 2.138 20 0 BEADMN COCc1cc(CNCCCC(C)(F)F)no1 ZINC000297421085 386253863 /nfs/dbraw/zinc/25/38/63/386253863.db2.gz MJNSYSCNLSEQAG-UHFFFAOYSA-N 0 1 248.273 2.346 20 0 BEADMN FCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000289037492 386254056 /nfs/dbraw/zinc/25/40/56/386254056.db2.gz PKCGHKLYPVYVHU-UHFFFAOYSA-N 0 1 237.274 2.219 20 0 BEADMN CC[C@@H](C)CN(C)Cc1nccc(C)n1 ZINC000336648793 386261153 /nfs/dbraw/zinc/26/11/53/386261153.db2.gz PPSHVXWBJCOVPG-SNVBAGLBSA-N 0 1 207.321 2.263 20 0 BEADMN Cc1ccnc(NCCCC2CCOCC2)c1 ZINC000347191016 386255995 /nfs/dbraw/zinc/25/59/95/386255995.db2.gz CFQRAKXNPRJPLB-UHFFFAOYSA-N 0 1 234.343 2.431 20 0 BEADMN CCCC(CCC)C(=O)N1CCN[C@H](C)C1 ZINC000132898390 386259116 /nfs/dbraw/zinc/25/91/16/386259116.db2.gz VTXYHNFXDNWSTD-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](CF)NCc1cn(C)nc1C(C)(C)C ZINC000288436268 386199217 /nfs/dbraw/zinc/19/92/17/386199217.db2.gz LJQPVYQLBKIPHZ-VIFPVBQESA-N 0 1 227.327 2.165 20 0 BEADMN COc1ncncc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000648001292 386199577 /nfs/dbraw/zinc/19/95/77/386199577.db2.gz GEGWQPYSGBYGDN-AAEUAGOBSA-N 0 1 249.358 2.496 20 0 BEADMN CC[C@@H](C)NC(=O)CNC1(c2ccccc2)CC1 ZINC000263994862 386199981 /nfs/dbraw/zinc/19/99/81/386199981.db2.gz LOQWXTJLAFOGDN-GFCCVEGCSA-N 0 1 246.354 2.180 20 0 BEADMN C[C@H]1[C@@H](C)N(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1C ZINC000416323422 386280661 /nfs/dbraw/zinc/28/06/61/386280661.db2.gz UPRXHWUYWAEOOU-OPRDCNLKSA-N 0 1 247.342 2.404 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cccc3c2OCO3)C1 ZINC000289335023 386285615 /nfs/dbraw/zinc/28/56/15/386285615.db2.gz HDLSJFIKJWOLFH-TXEJJXNPSA-N 0 1 249.310 2.025 20 0 BEADMN Cc1nc(CN(C)CCCCCO)c(C)s1 ZINC000336664740 386287647 /nfs/dbraw/zinc/28/76/47/386287647.db2.gz GKOTZCGZLGQMKR-UHFFFAOYSA-N 0 1 242.388 2.354 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC000264964029 386288255 /nfs/dbraw/zinc/28/82/55/386288255.db2.gz AUUYGYZPAALPOO-CYBMUJFWSA-N 0 1 232.327 2.052 20 0 BEADMN CCCCOCCN1C[C@H](C)OC[C@H]1CC ZINC000340589330 386291538 /nfs/dbraw/zinc/29/15/38/386291538.db2.gz YWPMYLZGCJATCI-QWHCGFSZSA-N 0 1 229.364 2.302 20 0 BEADMN CCCCOCCN1C[C@@H](C)OC[C@@H]1CC ZINC000340589329 386293085 /nfs/dbraw/zinc/29/30/85/386293085.db2.gz YWPMYLZGCJATCI-OLZOCXBDSA-N 0 1 229.364 2.302 20 0 BEADMN O=C(CC1CC1)Nc1ccn(-c2ccncc2)n1 ZINC000265053856 386299997 /nfs/dbraw/zinc/29/99/97/386299997.db2.gz GLKFEMPPXIESOQ-UHFFFAOYSA-N 0 1 242.282 2.006 20 0 BEADMN CN(CCC(F)(F)F)[C@H]1CCCOC1 ZINC000336672984 386305181 /nfs/dbraw/zinc/30/51/81/386305181.db2.gz NMLMGRNZDHJMIR-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN COCc1cc(CNCCCC(C)C)no1 ZINC000298221638 386310623 /nfs/dbraw/zinc/31/06/23/386310623.db2.gz ANRRWMUGGONYGF-UHFFFAOYSA-N 0 1 226.320 2.347 20 0 BEADMN c1coc([C@H]2CN(CCC3CC3)CCO2)c1 ZINC000336668756 386310533 /nfs/dbraw/zinc/31/05/33/386310533.db2.gz RRIDMGRELVKUPL-CYBMUJFWSA-N 0 1 221.300 2.453 20 0 BEADMN CC[C@H]1CN(CCOCC(C)C)C[C@@H](C)O1 ZINC000336668734 386310818 /nfs/dbraw/zinc/31/08/18/386310818.db2.gz RNICSXYDCRGHLZ-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN CC(=O)c1cccc(CN(C)[C@@H]2CCOC2)c1 ZINC000297498670 386261707 /nfs/dbraw/zinc/26/17/07/386261707.db2.gz MYFUUCCMVXDPMD-CQSZACIVSA-N 0 1 233.311 2.110 20 0 BEADMN Cc1ccc(NC2CCC(C(=O)[O-])CC2)[nH+]c1 ZINC000090676072 386262209 /nfs/dbraw/zinc/26/22/09/386262209.db2.gz GGPVQOXEVSGTJY-UHFFFAOYSA-N 0 1 234.299 2.445 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC000452533390 386265876 /nfs/dbraw/zinc/26/58/76/386265876.db2.gz SOACNZKYUGZOTD-NWDGAFQWSA-N 0 1 249.358 2.203 20 0 BEADMN CCC1(C)CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000264719308 386267210 /nfs/dbraw/zinc/26/72/10/386267210.db2.gz FREZRKXTYGNXFP-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN C[C@H](CO)N(C)Cc1cnc(C(C)(C)C)s1 ZINC000289181479 386268134 /nfs/dbraw/zinc/26/81/34/386268134.db2.gz AMVZTMCJDATUMT-SECBINFHSA-N 0 1 242.388 2.253 20 0 BEADMN Cc1cc(CN2CCCC[C@@H]2C)nn1C ZINC000336652513 386269101 /nfs/dbraw/zinc/26/91/01/386269101.db2.gz WSWQRDCBGVGJNU-JTQLQIEISA-N 0 1 207.321 2.103 20 0 BEADMN C[C@@H]1[C@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C ZINC000416320185 386278575 /nfs/dbraw/zinc/27/85/75/386278575.db2.gz OTONBCMVDFVQGT-BBBLOLIVSA-N 0 1 247.342 2.404 20 0 BEADMN CCN(C)Cc1cn2cc(C)ccc2n1 ZINC000264867187 386279640 /nfs/dbraw/zinc/27/96/40/386279640.db2.gz NOKSQXOOUOFHDY-UHFFFAOYSA-N 0 1 203.289 2.094 20 0 BEADMN CC(C)(C)OC(=O)CCN1CC[C@@](C)(F)C1 ZINC000347347031 386340271 /nfs/dbraw/zinc/34/02/71/386340271.db2.gz GIHHFAMFXQAVGV-GFCCVEGCSA-N 0 1 231.311 2.152 20 0 BEADMN CC1CCC(O)(C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000347350955 386346003 /nfs/dbraw/zinc/34/60/03/386346003.db2.gz MNMGGSVVXTUNOD-OTTFEQOBSA-N 0 1 229.339 2.362 20 0 BEADMN CC[C@@H](COC)NCc1nccn1CC(C)C ZINC000164849193 386346274 /nfs/dbraw/zinc/34/62/74/386346274.db2.gz YJJPHOPXKLFMDT-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN Cc1cccc(NC(=O)N2CCNC[C@H]2C)c1C ZINC000335270116 386355366 /nfs/dbraw/zinc/35/53/66/386355366.db2.gz BIZQLWUNHWQWEF-LLVKDONJSA-N 0 1 247.342 2.129 20 0 BEADMN FCCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289807974 386358002 /nfs/dbraw/zinc/35/80/02/386358002.db2.gz IRZUSJNPVDKCEH-SNVBAGLBSA-N 0 1 231.702 2.143 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265702954 386363325 /nfs/dbraw/zinc/36/33/25/386363325.db2.gz ROPBDTBGIFPWSO-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CCc1ncc(C[N@H+]2CC[C@H]3CCC[C@H]32)cn1 ZINC000335272716 386363672 /nfs/dbraw/zinc/36/36/72/386363672.db2.gz PILYAVCLQRPMJR-CHWSQXEVSA-N 0 1 231.343 2.413 20 0 BEADMN COCCN(Cc1cccc(C)n1)C1CC1 ZINC000347363066 386365667 /nfs/dbraw/zinc/36/56/67/386365667.db2.gz JLLMBMRYFWKKFN-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN c1nnsc1CN(CC1CC1)CC1CC1 ZINC000336699962 386387306 /nfs/dbraw/zinc/38/73/06/386387306.db2.gz PDLFJZMRUXPQLN-UHFFFAOYSA-N 0 1 223.345 2.160 20 0 BEADMN CCN(C)C(=O)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000298712723 386376313 /nfs/dbraw/zinc/37/63/13/386376313.db2.gz ARWBSFNKXDNVSF-ZDUSSCGKSA-N 0 1 248.370 2.466 20 0 BEADMN CC(C)[C@@H]1C[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000181574758 386381426 /nfs/dbraw/zinc/38/14/26/386381426.db2.gz DPCPOMPQCPIHQK-NSHDSACASA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)n[nH]1 ZINC000298766192 386382166 /nfs/dbraw/zinc/38/21/66/386382166.db2.gz BQWOXRDSYMRRGC-SECBINFHSA-N 0 1 233.271 2.144 20 0 BEADMN Cc1nc(CN(C[C@@H](C)O)C(C)C)c(C)s1 ZINC000336677466 386327208 /nfs/dbraw/zinc/32/72/08/386327208.db2.gz NZXMOHMWPSWIQB-SECBINFHSA-N 0 1 242.388 2.351 20 0 BEADMN CC(C)n1ncnc1CN1C[C@H](C)C[C@@H]1C ZINC000335274355 386329655 /nfs/dbraw/zinc/32/96/55/386329655.db2.gz MMJGKOGZHRINKN-MNOVXSKESA-N 0 1 222.336 2.089 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)C[C@H]1C ZINC000335274359 386330057 /nfs/dbraw/zinc/33/00/57/386330057.db2.gz MMJGKOGZHRINKN-WDEREUQCSA-N 0 1 222.336 2.089 20 0 BEADMN Clc1sccc1CNCCn1ccnc1 ZINC000336733046 386438512 /nfs/dbraw/zinc/43/85/12/386438512.db2.gz LZYREVGHQNSELI-UHFFFAOYSA-N 0 1 241.747 2.388 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1(C)CC1 ZINC000347488225 386438727 /nfs/dbraw/zinc/43/87/27/386438727.db2.gz HVNRPYQPWDGAEW-UHFFFAOYSA-N 0 1 249.358 2.466 20 0 BEADMN Cc1cnc([C@@H](C)N[C@@H](C)CCn2cccn2)o1 ZINC000347488267 386440773 /nfs/dbraw/zinc/44/07/73/386440773.db2.gz ICCOUUWOBSNYCU-CMPLNLGQSA-N 0 1 248.330 2.309 20 0 BEADMN CS[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000299325716 386441091 /nfs/dbraw/zinc/44/10/91/386441091.db2.gz WGZTUZDXWSHIHY-ZETCQYMHSA-N 0 1 235.312 2.253 20 0 BEADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCO ZINC000347531841 386441221 /nfs/dbraw/zinc/44/12/21/386441221.db2.gz CJDSNUWJLAKJLN-ZDUSSCGKSA-N 0 1 237.343 2.461 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1ccccc1 ZINC001645308499 1172650904 /nfs/dbraw/zinc/65/09/04/1172650904.db2.gz ASJXSKUYGPJBBK-FPLPWBNLSA-N 0 1 241.294 2.082 20 0 BEADMN Cc1c[nH]nc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000290505881 386446772 /nfs/dbraw/zinc/44/67/72/386446772.db2.gz SUUVSKLKDHWKMT-SNVBAGLBSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1c[nH]nc1CN(C)[C@H](C)C1(C)CC1 ZINC000290505881 386446780 /nfs/dbraw/zinc/44/67/80/386446780.db2.gz SUUVSKLKDHWKMT-SNVBAGLBSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@@H]1CC[C@@H](O)CN1Cc1nc2ccccc2o1 ZINC000399196915 386446863 /nfs/dbraw/zinc/44/68/63/386446863.db2.gz DMKAZUKLAINNEG-GHMZBOCLSA-N 0 1 246.310 2.173 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(C)cc1F ZINC000094205409 386448278 /nfs/dbraw/zinc/44/82/78/386448278.db2.gz CBKZZAYFBHUHGI-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CC[N@@H+](CCOC)CCc1ccccc1F ZINC000299405960 386449274 /nfs/dbraw/zinc/44/92/74/386449274.db2.gz NIUFLMHTHVLYAR-UHFFFAOYSA-N 0 1 225.307 2.337 20 0 BEADMN CCN(C(=O)c1cccc2n[nH]cc21)C(C)C ZINC000298916510 386396429 /nfs/dbraw/zinc/39/64/29/386396429.db2.gz AZTDYUWCFLEVHG-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN CC(C)(C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347421802 386396726 /nfs/dbraw/zinc/39/67/26/386396726.db2.gz DYSZFZLHPGYXDP-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000307226020 386398003 /nfs/dbraw/zinc/39/80/03/386398003.db2.gz FLCVIRSRHPARMT-YPMHNXCESA-N 0 1 233.311 2.229 20 0 BEADMN Cc1ocnc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339390473 386401197 /nfs/dbraw/zinc/40/11/97/386401197.db2.gz AAKOSOSNYQATTD-MRVPVSSYSA-N 0 1 236.275 2.079 20 0 BEADMN CCOc1nnc(CN[C@H](C)[C@H](C)CC)s1 ZINC000336776687 386407037 /nfs/dbraw/zinc/40/70/37/386407037.db2.gz GIXVRBNUGGWOAD-RKDXNWHRSA-N 0 1 243.376 2.461 20 0 BEADMN CCN(C)C(=O)CN(C)[C@@H](C)c1ccccc1C ZINC000299064429 386408113 /nfs/dbraw/zinc/40/81/13/386408113.db2.gz VRZMFXWLDUAAAZ-ZDUSSCGKSA-N 0 1 248.370 2.466 20 0 BEADMN CC[C@@H](CSc1nc(C2CC2)n[nH]1)OC ZINC000416912308 386413210 /nfs/dbraw/zinc/41/32/10/386413210.db2.gz DSTLQBVKNMYFMD-QMMMGPOBSA-N 0 1 227.333 2.199 20 0 BEADMN CC[C@@H](CSc1n[nH]c(C2CC2)n1)OC ZINC000416912308 386413218 /nfs/dbraw/zinc/41/32/18/386413218.db2.gz DSTLQBVKNMYFMD-QMMMGPOBSA-N 0 1 227.333 2.199 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccnn1CC(C)C ZINC000648033931 386414431 /nfs/dbraw/zinc/41/44/31/386414431.db2.gz AHHXYRNYSCJAFS-LBPRGKRZSA-N 0 1 239.363 2.006 20 0 BEADMN CC[N@H+]1CCN(Cc2ccoc2C)[C@H](C)C1 ZINC000414435946 386451889 /nfs/dbraw/zinc/45/18/89/386451889.db2.gz GEICTIBCMLEDRW-LLVKDONJSA-N 0 1 222.332 2.114 20 0 BEADMN CSC1(CN(C)Cc2cnccn2)CCC1 ZINC000290309328 386419461 /nfs/dbraw/zinc/41/94/61/386419461.db2.gz AGGKPRZDQPOPBZ-UHFFFAOYSA-N 0 1 237.372 2.194 20 0 BEADMN CCN(CCOC)Cc1ccc(F)cc1F ZINC000299429242 386451986 /nfs/dbraw/zinc/45/19/86/386451986.db2.gz UPYHBYXIIWTZKR-UHFFFAOYSA-N 0 1 229.270 2.433 20 0 BEADMN CCN(CC(=O)N[C@H](C)CCC1CC1)C1CC1 ZINC000347495269 386420714 /nfs/dbraw/zinc/42/07/14/386420714.db2.gz MKLFLOUSKPUHGO-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1ccccc1F ZINC000290364335 386426577 /nfs/dbraw/zinc/42/65/77/386426577.db2.gz HBZXJTJYKJXVIZ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN CC(C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347506219 386427134 /nfs/dbraw/zinc/42/71/34/386427134.db2.gz CHMKMLXORLZLCO-UHFFFAOYSA-N 0 1 237.347 2.322 20 0 BEADMN CCCCC[C@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000277336052 386427222 /nfs/dbraw/zinc/42/72/22/386427222.db2.gz YXYJYNLYTLWDHJ-QMMMGPOBSA-N 0 1 249.318 2.439 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000266352339 386429284 /nfs/dbraw/zinc/42/92/84/386429284.db2.gz PGVHVNLHIJABLU-ZDUSSCGKSA-N 0 1 235.331 2.452 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1cncnc1OC ZINC000648037219 386434054 /nfs/dbraw/zinc/43/40/54/386434054.db2.gz JBMJLSCHBNCEHK-LLVKDONJSA-N 0 1 237.347 2.496 20 0 BEADMN CCOc1cccc(CN2C[C@@H](C)[C@H]2C)n1 ZINC000339570652 386470538 /nfs/dbraw/zinc/47/05/38/386470538.db2.gz XVROISKPNIFJIV-GHMZBOCLSA-N 0 1 220.316 2.321 20 0 BEADMN CCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277882987 386472287 /nfs/dbraw/zinc/47/22/87/386472287.db2.gz PGNHWQHUPHZZKA-DTWKUNHWSA-N 0 1 238.335 2.296 20 0 BEADMN COc1ncncc1CN([C@@H](C)C1CC1)C1CC1 ZINC000648002429 386473092 /nfs/dbraw/zinc/47/30/92/386473092.db2.gz WBKYDGSLADFING-JTQLQIEISA-N 0 1 247.342 2.248 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H](C)[C@H]2C)cn1 ZINC000339564122 386477024 /nfs/dbraw/zinc/47/70/24/386477024.db2.gz QZXGYVYOJIUQPN-IEBDPFPHSA-N 0 1 205.305 2.186 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C ZINC000339562722 386477981 /nfs/dbraw/zinc/47/79/81/386477981.db2.gz ILJVINGUNICQJT-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cnccc1CCN1CCOCC1(C)C ZINC000335429691 386484117 /nfs/dbraw/zinc/48/41/17/386484117.db2.gz MUFPRQOPTHWWIR-UHFFFAOYSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C)C)n[nH]1 ZINC000278047737 386486222 /nfs/dbraw/zinc/48/62/22/386486222.db2.gz ZTYXTDCBXYKMSQ-BDAKNGLRSA-N 0 1 238.335 2.151 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cnccn1)CC(C)C ZINC000417358787 386491042 /nfs/dbraw/zinc/49/10/42/386491042.db2.gz IDOXOAPPUHKPIV-NWDGAFQWSA-N 0 1 237.347 2.188 20 0 BEADMN c1cnc2c(c1)CN(Cc1ccncc1)CC2 ZINC000366443249 386493645 /nfs/dbraw/zinc/49/36/45/386493645.db2.gz SXQKMQBVCUNLEL-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@H](C)N(C)[C@@H](C)C2)o1 ZINC000339629858 386498771 /nfs/dbraw/zinc/49/87/71/386498771.db2.gz USATVSIYJYWNKK-NHCYSSNCSA-N 0 1 237.347 2.068 20 0 BEADMN CCCc1nc(C)c(CN(CC)[C@@H](C)CO)o1 ZINC000339631443 386499380 /nfs/dbraw/zinc/49/93/80/386499380.db2.gz BZILLPVLLKXGDR-JTQLQIEISA-N 0 1 240.347 2.138 20 0 BEADMN CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCO ZINC000267146054 386501549 /nfs/dbraw/zinc/50/15/49/386501549.db2.gz KGKZPHJWGCLDDX-GFCCVEGCSA-N 0 1 211.280 2.201 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@H](c2cccnc2)C1 ZINC000335443262 386503549 /nfs/dbraw/zinc/50/35/49/386503549.db2.gz MAQBVTYLSLVMAP-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN CSC1(CNc2ncnc3[nH]cnc32)CCC1 ZINC000227989050 386529759 /nfs/dbraw/zinc/52/97/59/386529759.db2.gz NZJLMDWKFDQDOC-UHFFFAOYSA-N 0 1 249.343 2.051 20 0 BEADMN Cc1ccoc1C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000335444059 386507806 /nfs/dbraw/zinc/50/78/06/386507806.db2.gz RBXICOZIKSMCGG-KOLCDFICSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1ccc2nc(SC[C@H](C)O)[nH]c2c1 ZINC000061440452 386512189 /nfs/dbraw/zinc/51/21/89/386512189.db2.gz WDHVWVLZGHFZGB-QMMMGPOBSA-N 0 1 222.313 2.344 20 0 BEADMN CCCn1cc(CNC2CC(F)(F)C2)cn1 ZINC000336779676 386515699 /nfs/dbraw/zinc/51/56/99/386515699.db2.gz PDHCWSDWXYKIQE-UHFFFAOYSA-N 0 1 229.274 2.180 20 0 BEADMN Cn1ccnc1CN1CC[C@H](CC2CC2)C1 ZINC000339675649 386516693 /nfs/dbraw/zinc/51/66/93/386516693.db2.gz FSXVANFGFNGTCG-GFCCVEGCSA-N 0 1 219.332 2.042 20 0 BEADMN CN(Cc1nccs1)C[C@@H]1CCSC1 ZINC000278378444 386518074 /nfs/dbraw/zinc/51/80/74/386518074.db2.gz CLZSAPXQFKIEJF-VIFPVBQESA-N 0 1 228.386 2.328 20 0 BEADMN Cc1nnc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000339683154 386521414 /nfs/dbraw/zinc/52/14/14/386521414.db2.gz NHPJXVDOHRXGJF-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN Fc1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291231889 386527348 /nfs/dbraw/zinc/52/73/48/386527348.db2.gz KMDWEKLPEVUCLV-AWEZNQCLSA-N 0 1 245.301 2.469 20 0 BEADMN CN(Cc1cc(Cl)cs1)Cc1nnc[nH]1 ZINC000278474406 386530600 /nfs/dbraw/zinc/53/06/00/386530600.db2.gz RBSMTIMZLKOBPT-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CSCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000266578590 386453605 /nfs/dbraw/zinc/45/36/05/386453605.db2.gz GTQQJURQCCLMTF-CYBMUJFWSA-N 0 1 239.384 2.405 20 0 BEADMN CCC[C@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347580384 386456687 /nfs/dbraw/zinc/45/66/87/386456687.db2.gz GBBYLNIFJIQJJI-NSHDSACASA-N 0 1 224.352 2.479 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCN1C)c1cccs1 ZINC000299489652 386458128 /nfs/dbraw/zinc/45/81/28/386458128.db2.gz FMNSHPZBGIJKSW-NXEZZACHSA-N 0 1 238.356 2.020 20 0 BEADMN C[C@@H](CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000299530257 386464540 /nfs/dbraw/zinc/46/45/40/386464540.db2.gz NBDSGXLFOOFWEU-GXTWGEPZSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](C)NC(=O)CN(CC)Cc1ccccc1 ZINC000244516813 386586247 /nfs/dbraw/zinc/58/62/47/386586247.db2.gz ZQBOULJASSJLBL-CYBMUJFWSA-N 0 1 248.370 2.423 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)CC(C)(C)C)cc1 ZINC000228082944 386537026 /nfs/dbraw/zinc/53/70/26/386537026.db2.gz OMRJTEKFNJPMQM-ZDUSSCGKSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@H]2C)cc1 ZINC000228085807 386540523 /nfs/dbraw/zinc/54/05/23/386540523.db2.gz YVNMYSDQHRBOPH-DGCLKSJQSA-N 0 1 232.327 2.006 20 0 BEADMN CCc1cccc(CNCC(=O)NC(C)(C)C)c1 ZINC000519757473 386547176 /nfs/dbraw/zinc/54/71/76/386547176.db2.gz FLQZBSMPJLTRTP-UHFFFAOYSA-N 0 1 248.370 2.253 20 0 BEADMN C[C@H]1CN(CCc2ccccn2)CC2(CCC2)O1 ZINC000335464970 386550611 /nfs/dbraw/zinc/55/06/11/386550611.db2.gz ZGEMLIIIRZDYIA-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)CC2(CCC2)O1 ZINC000335464969 386551037 /nfs/dbraw/zinc/55/10/37/386551037.db2.gz ZGEMLIIIRZDYIA-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CC2(CCC2)O1 ZINC000335465997 386554321 /nfs/dbraw/zinc/55/43/21/386554321.db2.gz ZHPPBOFYCQFHKB-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN Cn1cccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000291566685 386557458 /nfs/dbraw/zinc/55/74/58/386557458.db2.gz NMLBPAAGGXTYNO-ZIAGYGMSSA-N 0 1 248.370 2.415 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H](C)[C@H](C)C1 ZINC000267653406 386569540 /nfs/dbraw/zinc/56/95/40/386569540.db2.gz LMVQUBAHDBTPMB-NXEZZACHSA-N 0 1 237.299 2.154 20 0 BEADMN F[C@@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000335408977 386571328 /nfs/dbraw/zinc/57/13/28/386571328.db2.gz IPYJMAGZOOVXKU-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN COc1cc(C)ccc1CNC(=O)C(F)(F)F ZINC000268137384 386622101 /nfs/dbraw/zinc/62/21/01/386622101.db2.gz CSZOKRZOARUNCA-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN CC(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 ZINC000292122863 386622602 /nfs/dbraw/zinc/62/26/02/386622602.db2.gz XAKZCUBCJIUGDI-JTQLQIEISA-N 0 1 236.319 2.002 20 0 BEADMN CCCn1c(C)nnc1CN(CC)CC(C)C ZINC000179244100 386626195 /nfs/dbraw/zinc/62/61/95/386626195.db2.gz FCFGXDDJWUUHKN-UHFFFAOYSA-N 0 1 238.379 2.474 20 0 BEADMN CO[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337142627 386628225 /nfs/dbraw/zinc/62/82/25/386628225.db2.gz UHARVLIENINXMA-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN COC1(CN2CCO[C@H](CF)C2)CCCCC1 ZINC000414466700 386628239 /nfs/dbraw/zinc/62/82/39/386628239.db2.gz BWLWXLCTVRWGKU-GFCCVEGCSA-N 0 1 245.338 2.006 20 0 BEADMN CCN1CCN(CCC2CCCC2)[C@H](C)C1=O ZINC000425923133 386629452 /nfs/dbraw/zinc/62/94/52/386629452.db2.gz SKGPWRJAYXTXDD-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc(CN(Cc2cccs2)C2CC2)n[nH]1 ZINC000292210683 386633523 /nfs/dbraw/zinc/63/35/23/386633523.db2.gz PTQSATRUBAIRKE-UHFFFAOYSA-N 0 1 248.355 2.339 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000335504326 386634396 /nfs/dbraw/zinc/63/43/96/386634396.db2.gz VCMOVBAYMVXRSD-LBPRGKRZSA-N 0 1 247.342 2.471 20 0 BEADMN Cc1nc(CN(Cc2ccccc2)C2CC2)n[nH]1 ZINC000292217057 386635988 /nfs/dbraw/zinc/63/59/88/386635988.db2.gz QGYQVXRLCWYIOH-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN C[C@H](NCc1ccc2c(c1)COC2)c1cn[nH]c1 ZINC000339795388 386641730 /nfs/dbraw/zinc/64/17/30/386641730.db2.gz PAZSGMMCSBMFQP-JTQLQIEISA-N 0 1 243.310 2.291 20 0 BEADMN Cc1nc(CN(C)CCCc2ccccc2)n[nH]1 ZINC000268332148 386643546 /nfs/dbraw/zinc/64/35/46/386643546.db2.gz NUPVRAYDMVNILP-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN Cc1nnc(CN[C@H]2CCCCC2(C)C)o1 ZINC000119780594 386645721 /nfs/dbraw/zinc/64/57/21/386645721.db2.gz AQNYTRGQBBYUIE-JTQLQIEISA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@H](CN[C@@H](C)c1cnccn1)C(F)(F)F ZINC000336759096 386649033 /nfs/dbraw/zinc/64/90/33/386649033.db2.gz ZXVHYFUWZASLJQ-YUMQZZPRSA-N 0 1 233.237 2.326 20 0 BEADMN Cc1cccnc1CNCc1ccncc1C ZINC000228674372 386599616 /nfs/dbraw/zinc/59/96/16/386599616.db2.gz BTKLNFJQSGBWDD-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000216493182 386606240 /nfs/dbraw/zinc/60/62/40/386606240.db2.gz GJBUFTLWTUKIOA-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCCCNC(=O)c1sccc1CN(C)C ZINC000267989955 386607066 /nfs/dbraw/zinc/60/70/66/386607066.db2.gz AFWOFLPMXFZLMQ-UHFFFAOYSA-N 0 1 240.372 2.340 20 0 BEADMN COC[C@H](N[C@H]1CS[C@H](C)C1)c1ccco1 ZINC000638722753 386608828 /nfs/dbraw/zinc/60/88/28/386608828.db2.gz VIBJYKOCVISBQQ-MXWKQRLJSA-N 0 1 241.356 2.451 20 0 BEADMN CC[C@H]1CCN(Cc2occc2C(=O)OC)C1 ZINC000268048037 386614548 /nfs/dbraw/zinc/61/45/48/386614548.db2.gz SZGJWIBDBRSLTJ-JTQLQIEISA-N 0 1 237.299 2.298 20 0 BEADMN CCN(CC)C(=O)c1sccc1CN(C)C ZINC000268059913 386616873 /nfs/dbraw/zinc/61/68/73/386616873.db2.gz ZZQRPOYHZQIZHP-UHFFFAOYSA-N 0 1 240.372 2.292 20 0 BEADMN CCCCCN(CC(=O)OC)[C@H](C)CC ZINC000337220276 386660024 /nfs/dbraw/zinc/66/00/24/386660024.db2.gz BWIWMCXSONNBFD-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCCc1nccn1Cc1nnc(C(C)(C)C)[nH]1 ZINC000292396998 386661646 /nfs/dbraw/zinc/66/16/46/386661646.db2.gz IQWGEGQAQQLJQP-UHFFFAOYSA-N 0 1 247.346 2.300 20 0 BEADMN CC[C@H](C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425329978 386663350 /nfs/dbraw/zinc/66/33/50/386663350.db2.gz RJVOLMAOKJNCSA-QMMMGPOBSA-N 0 1 249.289 2.478 20 0 BEADMN CC[C@H]1CCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000292438043 386669482 /nfs/dbraw/zinc/66/94/82/386669482.db2.gz OFRRLCJDNNOZKX-OCCSQVGLSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@H]1CCCN1Cc1occc1C(=O)OC ZINC000340682472 386671294 /nfs/dbraw/zinc/67/12/94/386671294.db2.gz OOBSPKSRNMDXIE-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN c1c(CN2CC([C@H]3CCOC3)C2)onc1C1CC1 ZINC000639121385 386674478 /nfs/dbraw/zinc/67/44/78/386674478.db2.gz ZPRSJBFZGZBVEP-NSHDSACASA-N 0 1 248.326 2.020 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H](N)c1ccccc1 ZINC000050405260 386674491 /nfs/dbraw/zinc/67/44/91/386674491.db2.gz UPEKOTGIULWOOF-STQMWFEESA-N 0 1 234.343 2.381 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)OC)o1 ZINC000340684400 386677779 /nfs/dbraw/zinc/67/77/79/386677779.db2.gz CCDKIJNCCWAAIL-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN CC(C)(C)CCCN1CCO[C@@H](C(N)=O)C1 ZINC000330374965 386680845 /nfs/dbraw/zinc/68/08/45/386680845.db2.gz CKMVZEOQWYZINE-SNVBAGLBSA-N 0 1 228.336 2.049 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357021467 386681223 /nfs/dbraw/zinc/68/12/23/386681223.db2.gz IBLDBOKTZFRZBX-WDEREUQCSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@](N)(C(=O)N[C@@H]1C=CCCC1)c1ccccc1 ZINC000335530667 386681576 /nfs/dbraw/zinc/68/15/76/386681576.db2.gz JTKWSZSRWPWBCA-UKRRQHHQSA-N 0 1 244.338 2.085 20 0 BEADMN CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000335520559 386658287 /nfs/dbraw/zinc/65/82/87/386658287.db2.gz HPNKKDXLBKZTJB-SECBINFHSA-N 0 1 235.331 2.087 20 0 BEADMN C[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ncn(C)n1 ZINC000391960811 386708959 /nfs/dbraw/zinc/70/89/59/386708959.db2.gz ZCEQMHBHMMTABY-KXNHARMFSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C2CCC2)nc1 ZINC000357006251 386685293 /nfs/dbraw/zinc/68/52/93/386685293.db2.gz AUDLQYZWUNYPKS-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000042707359 386686178 /nfs/dbraw/zinc/68/61/78/386686178.db2.gz IDODNHSXAINCGT-GFCCVEGCSA-N 0 1 235.327 2.456 20 0 BEADMN CC(C)c1nccn1Cc1nnc(C(C)(C)C)[nH]1 ZINC000292539893 386688159 /nfs/dbraw/zinc/68/81/59/386688159.db2.gz WIAPRBHQPLFNFI-UHFFFAOYSA-N 0 1 247.346 2.470 20 0 BEADMN Cc1cc(CN2CCCC[C@@H]2CC(N)=O)no1 ZINC000330435851 386694470 /nfs/dbraw/zinc/69/44/70/386694470.db2.gz AVRMWNVSNVXNJZ-LLVKDONJSA-N 0 1 237.303 2.263 20 0 BEADMN C[C@H]1[C@H](C)[N@@H+](CCOc2ccccc2)CCN1C ZINC000357032518 386697190 /nfs/dbraw/zinc/69/71/90/386697190.db2.gz GPMYHUSUOPMKNG-KBPBESRZSA-N 0 1 248.370 2.090 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000520606847 386704677 /nfs/dbraw/zinc/70/46/77/386704677.db2.gz WDSNXNSKTIXXMF-DMDPSCGWSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1ccnc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000643394961 386706259 /nfs/dbraw/zinc/70/62/59/386706259.db2.gz YXGHTKKNSDCFKT-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1c(CN(C)Cc2ccccc2)cnn1C ZINC000268856193 386707270 /nfs/dbraw/zinc/70/72/70/386707270.db2.gz COMJCULCDXFCKQ-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)o1 ZINC000268995838 386733766 /nfs/dbraw/zinc/73/37/66/386733766.db2.gz PTKXAUZAUXYUFC-JTQLQIEISA-N 0 1 245.282 2.119 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)[nH]1 ZINC000335533666 386734241 /nfs/dbraw/zinc/73/42/41/386734241.db2.gz GAHZUVIKEFZIEP-MNOVXSKESA-N 0 1 248.330 2.268 20 0 BEADMN CCC[C@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268997899 386734760 /nfs/dbraw/zinc/73/47/60/386734760.db2.gz QDKJYYORYSYIFY-GXSJLCMTSA-N 0 1 235.331 2.340 20 0 BEADMN C[C@H](NCc1cccn1C)c1cncc(F)c1 ZINC000268997555 386735142 /nfs/dbraw/zinc/73/51/42/386735142.db2.gz TWEMISJWCBDUGT-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN COc1ncncc1CN([C@@H](C)C(C)C)C1CC1 ZINC000647999084 386737702 /nfs/dbraw/zinc/73/77/02/386737702.db2.gz YZCFACMYTUDNCP-NSHDSACASA-N 0 1 249.358 2.494 20 0 BEADMN c1snnc1CNC[C@H]1CCC[C@@H]1C1CC1 ZINC000414489902 386713100 /nfs/dbraw/zinc/71/31/00/386713100.db2.gz WHFSAZBAZXZNFR-ZYHUDNBSSA-N 0 1 237.372 2.454 20 0 BEADMN CCN(C)Cc1ccnn1-c1ccc(F)cc1 ZINC000279670403 386717823 /nfs/dbraw/zinc/71/78/23/386717823.db2.gz OUPQVWZRZJDWOY-UHFFFAOYSA-N 0 1 233.290 2.463 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CCC[C@@H](C)C1 ZINC000526992597 386722010 /nfs/dbraw/zinc/72/20/10/386722010.db2.gz IRVYGOWXNOLLEP-UTUOFQBUSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cccc2c1OCCO2 ZINC000526989497 386726692 /nfs/dbraw/zinc/72/66/92/386726692.db2.gz LYAQUYBOJSWNKD-PHIMTYICSA-N 0 1 233.311 2.441 20 0 BEADMN CCC(C)(C)CNC(=O)CN1CCC(C)CC1 ZINC000192225343 386747136 /nfs/dbraw/zinc/74/71/36/386747136.db2.gz RNZVALVEYWTHSP-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCC[C@H](C(=O)NCc1cnc[nH]1)C(C)C ZINC000330519422 386747717 /nfs/dbraw/zinc/74/77/17/386747717.db2.gz GWKVWGGCSMTKOK-NSHDSACASA-N 0 1 223.320 2.098 20 0 BEADMN Cc1cc(CN[C@H]2CCC[C@@H]2OC(F)F)on1 ZINC000348523420 386748796 /nfs/dbraw/zinc/74/87/96/386748796.db2.gz DRGXGKTYUDCAPE-UWVGGRQHSA-N 0 1 246.257 2.233 20 0 BEADMN CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1cc(C)on1 ZINC000330497283 386750113 /nfs/dbraw/zinc/75/01/13/386750113.db2.gz XJSUWJXXBBSPLC-XHVZSJERSA-N 0 1 240.347 2.431 20 0 BEADMN Cn1ccc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000334152452 386752278 /nfs/dbraw/zinc/75/22/78/386752278.db2.gz WFZLOZBTCUNSFS-AAEUAGOBSA-N 0 1 219.332 2.185 20 0 BEADMN CC[C@]1(C)CCN(Cc2ccn(C)n2)C1 ZINC000334152655 386753176 /nfs/dbraw/zinc/75/31/76/386753176.db2.gz XPIQRVKZFJHRTQ-GFCCVEGCSA-N 0 1 207.321 2.042 20 0 BEADMN c1c[nH]c(CN2CCSC3(CCC3)CC2)n1 ZINC000334635135 386769642 /nfs/dbraw/zinc/76/96/42/386769642.db2.gz CVDWKZRSDFVSAT-UHFFFAOYSA-N 0 1 237.372 2.271 20 0 BEADMN CC1(C)CCCN(C(=O)c2cnc[nH]2)CC1 ZINC000334154599 386754060 /nfs/dbraw/zinc/75/40/60/386754060.db2.gz RZVDIXBXQDKNBI-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN C[C@H](C[N@H+]1C[C@@H](F)C[C@H]1CO)c1ccccc1 ZINC000344836169 386756745 /nfs/dbraw/zinc/75/67/45/386756745.db2.gz UZKPSFYOIUVHOX-XBFCOCLRSA-N 0 1 237.318 2.195 20 0 BEADMN CCOC1CC(CN[C@H](C)c2csnn2)C1 ZINC000639264123 386757486 /nfs/dbraw/zinc/75/74/86/386757486.db2.gz ATASDULPCUJTPN-XNWIYYODSA-N 0 1 241.360 2.004 20 0 BEADMN FCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000340713150 386760399 /nfs/dbraw/zinc/76/03/99/386760399.db2.gz PZTNXBAUHUMPFN-UHFFFAOYSA-N 0 1 237.303 2.457 20 0 BEADMN Cc1ncc(C(=O)N(CC2CC2)CC2CCC2)[nH]1 ZINC000279966994 386763234 /nfs/dbraw/zinc/76/32/34/386763234.db2.gz HQEZSGVKFMRDRF-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN CN1Cc2ccc(NCc3cocn3)cc2C1 ZINC000192329624 386764955 /nfs/dbraw/zinc/76/49/55/386764955.db2.gz QRRIRUCMIFFWQH-UHFFFAOYSA-N 0 1 229.283 2.232 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cc(C2CC2)n[nH]1 ZINC000269246307 386766660 /nfs/dbraw/zinc/76/66/60/386766660.db2.gz WPFWKKBDWZDUPC-MRVPVSSYSA-N 0 1 237.303 2.089 20 0 BEADMN Cc1nc(CN(C)[C@H](C)c2cccc(O)c2)n[nH]1 ZINC000293023913 386767626 /nfs/dbraw/zinc/76/76/26/386767626.db2.gz CQLXSZVBTZHESO-SECBINFHSA-N 0 1 246.314 2.012 20 0 BEADMN Cc1cnc([C@H](C)CNCc2cocn2)s1 ZINC000192343483 386768456 /nfs/dbraw/zinc/76/84/56/386768456.db2.gz PYIWWGMKHMZWRV-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)cs2)[C@H](C)C1 ZINC000334144526 386744111 /nfs/dbraw/zinc/74/41/11/386744111.db2.gz HOIYHSLPHLHELK-GHMZBOCLSA-N 0 1 240.372 2.451 20 0 BEADMN CCN(CC)CC(=O)N1CCc2cccc(C)c21 ZINC000269432268 386793997 /nfs/dbraw/zinc/79/39/97/386793997.db2.gz BTKZVPRKWRZXOL-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN CCC[C@H](C)N1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352869829 386794976 /nfs/dbraw/zinc/79/49/76/386794976.db2.gz PSUWWUSEAMELPG-JUFZMCDQSA-N 0 1 231.405 2.406 20 0 BEADMN CC(C)n1nccc1CN(C)C1CCC1 ZINC000280238082 386795190 /nfs/dbraw/zinc/79/51/90/386795190.db2.gz KTHQKLPYPKILDT-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CCC1CCC(NCC(F)(F)CN)CC1 ZINC000414932292 386770833 /nfs/dbraw/zinc/77/08/33/386770833.db2.gz RQXWOHFDOBPLSQ-UHFFFAOYSA-N 0 1 220.307 2.139 20 0 BEADMN Cc1cn[nH]c1C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000352861827 386771955 /nfs/dbraw/zinc/77/19/55/386771955.db2.gz KFFHOHNYMFEVBZ-UHFFFAOYSA-N 0 1 244.342 2.446 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2cnccn2)CC1 ZINC000334636874 386772458 /nfs/dbraw/zinc/77/24/58/386772458.db2.gz GVVSOEYGDPDQHV-UHFFFAOYSA-N 0 1 203.289 2.019 20 0 BEADMN CC1=C(C)CN(Cc2cnccn2)CC1 ZINC000334636874 386772462 /nfs/dbraw/zinc/77/24/62/386772462.db2.gz GVVSOEYGDPDQHV-UHFFFAOYSA-N 0 1 203.289 2.019 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)c1[nH]nc2c1CCC2 ZINC000329941543 386816222 /nfs/dbraw/zinc/81/62/22/386816222.db2.gz GSRTWQGGPOPFTJ-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN CCOC[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000341011985 386817183 /nfs/dbraw/zinc/81/71/83/386817183.db2.gz OCZWEJZULOMPCF-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000280461366 386817368 /nfs/dbraw/zinc/81/73/68/386817368.db2.gz ZUSVYDWXUJWGJT-WCQYABFASA-N 0 1 249.358 2.427 20 0 BEADMN Cc1ccc(CC[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000263562934 386818598 /nfs/dbraw/zinc/81/85/98/386818598.db2.gz DBJOUQYVYJCBHO-UHFFFAOYSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1cnccc1CN1CC[C@](C)(F)C1 ZINC000334770712 386822466 /nfs/dbraw/zinc/82/24/66/386822466.db2.gz JHMLUKPVEZHHTN-LBPRGKRZSA-N 0 1 208.280 2.324 20 0 BEADMN C[C@@H](C(=O)NCCN1CC=CCC1)C(C)(C)C ZINC000357659188 386822689 /nfs/dbraw/zinc/82/26/89/386822689.db2.gz RQQLAQNVYMPKNO-LBPRGKRZSA-N 0 1 238.375 2.047 20 0 BEADMN CCc1cc(C(=O)N2CCC(C)=C(C)C2)n[nH]1 ZINC000280311646 386801970 /nfs/dbraw/zinc/80/19/70/386801970.db2.gz XBLWORVTZNCRNF-UHFFFAOYSA-N 0 1 233.315 2.154 20 0 BEADMN CCCCC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000340938407 386802416 /nfs/dbraw/zinc/80/24/16/386802416.db2.gz ZLLNBSYTYPDLCX-SNVBAGLBSA-N 0 1 238.335 2.055 20 0 BEADMN Cc1nocc1CN[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000293382666 386809079 /nfs/dbraw/zinc/80/90/79/386809079.db2.gz WFKBPNVHDYIZSO-SECBINFHSA-N 0 1 249.318 2.075 20 0 BEADMN CC(=O)N1CCC[C@H](CNc2cccc(C)n2)C1 ZINC000280414084 386810351 /nfs/dbraw/zinc/81/03/51/386810351.db2.gz JJHAMBLYSIIADR-CYBMUJFWSA-N 0 1 247.342 2.060 20 0 BEADMN CCN(CCOC)Cc1cnn(CC(C)C)c1 ZINC000340922685 386812020 /nfs/dbraw/zinc/81/20/20/386812020.db2.gz WBRYHKJCMVLQSM-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN COc1ncncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000648003997 386813309 /nfs/dbraw/zinc/81/33/09/386813309.db2.gz KYIAXDSTQZSKKQ-YPMHNXCESA-N 0 1 247.342 2.250 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cncs2)C1 ZINC000280588348 386826133 /nfs/dbraw/zinc/82/61/33/386826133.db2.gz MZCWJTBQHBAJBM-NSHDSACASA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@H](C)N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314704703 386826436 /nfs/dbraw/zinc/82/64/36/386826436.db2.gz SEYQUTPQZNUEHR-YUMQZZPRSA-N 0 1 242.344 2.379 20 0 BEADMN CCOc1ccc(CNCCF)cc1F ZINC000280603572 386829547 /nfs/dbraw/zinc/82/95/47/386829547.db2.gz CPTIMQZWMLBZQL-UHFFFAOYSA-N 0 1 215.243 2.284 20 0 BEADMN FCCNCc1c[nH]nc1-c1ccccc1 ZINC000280642141 386832722 /nfs/dbraw/zinc/83/27/22/386832722.db2.gz IOGVRQFEGLKMJQ-UHFFFAOYSA-N 0 1 219.263 2.136 20 0 BEADMN Cc1nocc1CN(C)CCc1ccncc1 ZINC000293536751 386833658 /nfs/dbraw/zinc/83/36/58/386833658.db2.gz FKWVHXXBRFRCSU-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CC(C)c1ncc(CN(C)CC[C@H](C)O)s1 ZINC000093481139 386834040 /nfs/dbraw/zinc/83/40/40/386834040.db2.gz PXBDAZCEGVNCIL-JTQLQIEISA-N 0 1 242.388 2.469 20 0 BEADMN COC(=O)c1cc(CN2C[C@@H](C)[C@@H]2C)oc1C ZINC000293552122 386834800 /nfs/dbraw/zinc/83/48/00/386834800.db2.gz ZDQPRBRNSIVGHE-BDAKNGLRSA-N 0 1 237.299 2.215 20 0 BEADMN COC[C@@H]1CCN1C/C=C/c1ccccc1 ZINC000293550233 386836824 /nfs/dbraw/zinc/83/68/24/386836824.db2.gz LAUHXYJOPKKSEN-GPAKFWEMSA-N 0 1 217.312 2.421 20 0 BEADMN Cc1cc(CN2CCC[C@@]2(C)CCCO)no1 ZINC000352879822 386838673 /nfs/dbraw/zinc/83/86/73/386838673.db2.gz WIBXYTXQWMPNNH-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN Cc1cc(CN2CCC[C@]2(C)CCCO)no1 ZINC000352879817 386838806 /nfs/dbraw/zinc/83/88/06/386838806.db2.gz WIBXYTXQWMPNNH-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN C[C@@H]1CCN(c2nc(N)nc3c2CCCC3)[C@H]1C ZINC000645186209 386849974 /nfs/dbraw/zinc/84/99/74/386849974.db2.gz PLDCTELYKAEBDP-ZJUUUORDSA-N 0 1 246.358 2.003 20 0 BEADMN Cc1nccc(NC[C@](C)(O)C2CC2)c1Cl ZINC000336674509 386852176 /nfs/dbraw/zinc/85/21/76/386852176.db2.gz PCCNIRSQHTWUGT-LBPRGKRZSA-N 0 1 240.734 2.038 20 0 BEADMN CC[C@H](NC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC000331437873 386852673 /nfs/dbraw/zinc/85/26/73/386852673.db2.gz SAPIUAASZHDNMZ-JTQLQIEISA-N 0 1 235.331 2.063 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc(C2CC2)n1 ZINC000293860393 386892105 /nfs/dbraw/zinc/89/21/05/386892105.db2.gz IHDSSBVGJWGBPH-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN COc1ncncc1CN1CCCCC[C@H]1C ZINC000648008371 386856243 /nfs/dbraw/zinc/85/62/43/386856243.db2.gz FJFPZWOCWJQRRC-LLVKDONJSA-N 0 1 235.331 2.250 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N1CCCN(C)CC1 ZINC000341227417 386857533 /nfs/dbraw/zinc/85/75/33/386857533.db2.gz MKXKUDSIHNFJEJ-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(C)c(F)c1 ZINC000293722302 386866519 /nfs/dbraw/zinc/86/65/19/386866519.db2.gz UBEYGDQJHIOEKY-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC000334829238 386866863 /nfs/dbraw/zinc/86/68/63/386866863.db2.gz FVVPBMZTACVQCL-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1oc(CN[C@H]2CC23CC3)cc1C(=O)OC ZINC000425350990 386870083 /nfs/dbraw/zinc/87/00/83/386870083.db2.gz ICIQMEIZGAKELM-LBPRGKRZSA-N 0 1 249.310 2.271 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000335747868 386871613 /nfs/dbraw/zinc/87/16/13/386871613.db2.gz WLTFOIHMYPFXSM-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H]1CCC[C@H]1Cc1nc(C2(N)CCC2)no1 ZINC000334836622 386877993 /nfs/dbraw/zinc/87/79/93/386877993.db2.gz GZLLJBYIYOBIPM-ZJUUUORDSA-N 0 1 235.331 2.386 20 0 BEADMN Cc1ccc(CN2CC(C(C)(C)C)C2)nn1 ZINC000334845686 386894819 /nfs/dbraw/zinc/89/48/19/386894819.db2.gz UOZGRPDSZJILSA-UHFFFAOYSA-N 0 1 219.332 2.263 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)n[nH]1 ZINC000293810872 386882103 /nfs/dbraw/zinc/88/21/03/386882103.db2.gz GWBXXHHQQQOHMI-LBPRGKRZSA-N 0 1 249.358 2.479 20 0 BEADMN CSc1ccccc1CN(C)Cc1nnc[nH]1 ZINC000358048123 386882781 /nfs/dbraw/zinc/88/27/81/386882781.db2.gz LCNMGCRVMJKHNU-UHFFFAOYSA-N 0 1 248.355 2.159 20 0 BEADMN NC1(c2noc([C@@H](F)c3ccccc3)n2)CCC1 ZINC000334839237 386882900 /nfs/dbraw/zinc/88/29/00/386882900.db2.gz ZVEZCOBAZBKCNJ-JTQLQIEISA-N 0 1 247.273 2.466 20 0 BEADMN Cc1cn[nH]c1CN1CC[C@H](C)C(F)(F)C1 ZINC000335769320 386914494 /nfs/dbraw/zinc/91/44/94/386914494.db2.gz JKWAGFMQXPLTSE-VIFPVBQESA-N 0 1 229.274 2.195 20 0 BEADMN C[C@@H](CC(=O)N1CCNC[C@@H]1C)c1ccccc1 ZINC000125949733 386917965 /nfs/dbraw/zinc/91/79/65/386917965.db2.gz BYGBLZQXPBYTAK-STQMWFEESA-N 0 1 246.354 2.001 20 0 BEADMN CCC1CCC([N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000341560883 386919313 /nfs/dbraw/zinc/91/93/13/386919313.db2.gz GSXHMTFVTMTATK-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN CCC1CCC(N(C)Cc2cn(C)nn2)CC1 ZINC000341560883 386919318 /nfs/dbraw/zinc/91/93/18/386919318.db2.gz GSXHMTFVTMTATK-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H](CN1CCN(C)C(=O)[C@H]1C)CC(C)(C)C ZINC001645358105 1172658503 /nfs/dbraw/zinc/65/85/03/1172658503.db2.gz FNKWCDYEEDIFLL-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1occc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000334847384 386896454 /nfs/dbraw/zinc/89/64/54/386896454.db2.gz SUZJXUCAZCLCRQ-NSHDSACASA-N 0 1 245.269 2.038 20 0 BEADMN CCOc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000293914138 386901437 /nfs/dbraw/zinc/90/14/37/386901437.db2.gz GEKQZGIRMWXOKA-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN COCc1cccc(CN2CC3(C2)CCOC3)c1 ZINC000293918569 386904410 /nfs/dbraw/zinc/90/44/10/386904410.db2.gz GNHUCFQLNKCQEE-UHFFFAOYSA-N 0 1 247.338 2.055 20 0 BEADMN NC1(c2noc(-c3cc[nH]c3C3CC3)n2)CCC1 ZINC000334852993 386904695 /nfs/dbraw/zinc/90/46/95/386904695.db2.gz HVPGUJQCVYVJNQ-UHFFFAOYSA-N 0 1 244.298 2.280 20 0 BEADMN C[C@@H]1CN(CC2CCCCC2)CC[S@@]1=O ZINC000335764289 386904780 /nfs/dbraw/zinc/90/47/80/386904780.db2.gz ALWIUIBZPOWDCX-ABAIWWIYSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@@H]1CN(CC2CCCCC2)CC[S@]1=O ZINC000335764288 386904797 /nfs/dbraw/zinc/90/47/97/386904797.db2.gz ALWIUIBZPOWDCX-IAQYHMDHSA-N 0 1 229.389 2.020 20 0 BEADMN NC1(c2noc(-c3occ4c3CCC4)n2)CCC1 ZINC000334854837 386906863 /nfs/dbraw/zinc/90/68/63/386906863.db2.gz UKQKYSHFSZOGCX-UHFFFAOYSA-N 0 1 245.282 2.156 20 0 BEADMN Cn1ccnc1NCc1ncc(Cl)s1 ZINC000334856851 386908913 /nfs/dbraw/zinc/90/89/13/386908913.db2.gz UDMBEYAPYWZRQO-UHFFFAOYSA-N 0 1 228.708 2.142 20 0 BEADMN Cc1cncc(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000302154367 386909482 /nfs/dbraw/zinc/90/94/82/386909482.db2.gz MMPXGNHFJVPELA-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN Cc1ccc2c(c1)CC[N@H+](CCn1cccn1)C2 ZINC000335767633 386910477 /nfs/dbraw/zinc/91/04/77/386910477.db2.gz GCYARTSHWBYCPH-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN CC(C)(C(=O)N1CCCCCC1)c1c[nH]cn1 ZINC000335768970 386913480 /nfs/dbraw/zinc/91/34/80/386913480.db2.gz GYAGFYUNRUWLRC-UHFFFAOYSA-N 0 1 235.331 2.090 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)c1nc(C2(N)CCC2)no1 ZINC000334865553 386920959 /nfs/dbraw/zinc/92/09/59/386920959.db2.gz GQNCPNBRXGWVQW-BXKDBHETSA-N 0 1 235.331 2.485 20 0 BEADMN CC/C(C)=C/c1nc(C2(N)CCC2)no1 ZINC000334865575 386922572 /nfs/dbraw/zinc/92/25/72/386922572.db2.gz HMBWQBJNJUQGSK-BQYQJAHWSA-N 0 1 207.277 2.221 20 0 BEADMN C[C@]1(c2nc(C3(N)CCCC3)no2)C[C@H]2C[C@H]2C1 ZINC000334866250 386924349 /nfs/dbraw/zinc/92/43/49/386924349.db2.gz XMHFKBFNSNGDGN-IWIIMEHWSA-N 0 1 247.342 2.485 20 0 BEADMN Cc1occc1C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000334868881 386927737 /nfs/dbraw/zinc/92/77/37/386927737.db2.gz STPTTZQAYUOLEG-MNOVXSKESA-N 0 1 222.332 2.112 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C)nn1 ZINC000334869354 386927785 /nfs/dbraw/zinc/92/77/85/386927785.db2.gz VWOSODUHZPSCNF-ZWNOBZJWSA-N 0 1 219.332 2.405 20 0 BEADMN CC(C)(C)CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000330951385 386928506 /nfs/dbraw/zinc/92/85/06/386928506.db2.gz PVPAZKBZJNWXGA-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN Cn1cc(CN(CC2CCCCC2)C2CC2)nn1 ZINC000341622599 386937897 /nfs/dbraw/zinc/93/78/97/386937897.db2.gz VCJZREDJSCQOIM-UHFFFAOYSA-N 0 1 248.374 2.360 20 0 BEADMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1cccnc1 ZINC000358360341 386940572 /nfs/dbraw/zinc/94/05/72/386940572.db2.gz ABDOFZUFHYCZBD-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN Cc1cnc(CCN[C@H](C)c2nccs2)nc1 ZINC000358365030 386942897 /nfs/dbraw/zinc/94/28/97/386942897.db2.gz HLOLLXUCORVRRP-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762227 386955743 /nfs/dbraw/zinc/95/57/43/386955743.db2.gz VRKMWEAWAGNWFC-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN Cc1ccc(CN2C[C@@H](C)S[C@H](C)C2)nn1 ZINC000334825506 386956644 /nfs/dbraw/zinc/95/66/44/386956644.db2.gz MOGJLTPKVWULSD-GHMZBOCLSA-N 0 1 237.372 2.111 20 0 BEADMN C[C@@](N)(C(=O)NC1CCCCC1)c1ccccc1 ZINC000052880933 386961325 /nfs/dbraw/zinc/96/13/25/386961325.db2.gz QYDYOBQMUJAGNP-HNNXBMFYSA-N 0 1 246.354 2.309 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC[C@@H]1C1CC1 ZINC000334891293 386964131 /nfs/dbraw/zinc/96/41/31/386964131.db2.gz ZFGHZHPBAYKHDX-GFCCVEGCSA-N 0 1 241.294 2.187 20 0 BEADMN CC1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000334930649 387007485 /nfs/dbraw/zinc/00/74/85/387007485.db2.gz ACBKJLAFLNOHGQ-UHFFFAOYSA-N 0 1 241.294 2.169 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2nccc(N)n2)CC1 ZINC000332258858 386969605 /nfs/dbraw/zinc/96/96/05/386969605.db2.gz NJLQKPBBHRTBRD-GFCCVEGCSA-N 0 1 248.374 2.147 20 0 BEADMN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ncc[nH]1 ZINC000331161773 386979601 /nfs/dbraw/zinc/97/96/01/386979601.db2.gz MCGLBKCLMHNORU-SCZZXKLOSA-N 0 1 248.330 2.469 20 0 BEADMN Cc1oncc1CN1CC[C@@H](COC(F)F)C1 ZINC000353029230 386981228 /nfs/dbraw/zinc/98/12/28/386981228.db2.gz PVLGSDXIQCDXEM-SECBINFHSA-N 0 1 246.257 2.044 20 0 BEADMN CC(C)(C)CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000518999442 386983223 /nfs/dbraw/zinc/98/32/23/386983223.db2.gz BFIUXLFJSAVOLR-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC[C@@H](C)C2)nc1 ZINC000334916589 386991297 /nfs/dbraw/zinc/99/12/97/386991297.db2.gz XHSCGIFNNAAOIV-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN CCCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368642426 386997330 /nfs/dbraw/zinc/99/73/30/386997330.db2.gz MJFWIXOTSHFTOC-QWHCGFSZSA-N 0 1 239.359 2.247 20 0 BEADMN CCCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368642425 386997702 /nfs/dbraw/zinc/99/77/02/386997702.db2.gz MJFWIXOTSHFTOC-OLZOCXBDSA-N 0 1 239.359 2.247 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)C(C)(C)C ZINC000358712470 387000247 /nfs/dbraw/zinc/00/02/47/387000247.db2.gz IHHPTWMNXABRCO-IJLUTSLNSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1occc1CN[C@H](C)c1cnn(C)c1C ZINC000320860611 386951798 /nfs/dbraw/zinc/95/17/98/386951798.db2.gz DYNMXLUHCPCBOT-SECBINFHSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cnc(C(=O)Nc2cccc(O)c2)c(O)c1 ZINC000358906362 387031272 /nfs/dbraw/zinc/03/12/72/387031272.db2.gz OKJTWWPUKAKFJY-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CCCCCN(C)C(C)(C)C(=O)OCC ZINC000117883061 387031706 /nfs/dbraw/zinc/03/17/06/387031706.db2.gz GYTVXFWPAISLBP-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CC(C)CCN1CCc2ccccc2[C@@H]1C(N)=O ZINC000369258792 387032797 /nfs/dbraw/zinc/03/27/97/387032797.db2.gz MJIZGLGWCPDATE-CQSZACIVSA-N 0 1 246.354 2.117 20 0 BEADMN CO[C@H](CN1CCn2cccc2[C@@H]1C)C1CC1 ZINC000425382906 387033725 /nfs/dbraw/zinc/03/37/25/387033725.db2.gz JKWRGPGJWCFOCV-SMDDNHRTSA-N 0 1 234.343 2.290 20 0 BEADMN CCn1cncc1CN1CCC=C(C)C1 ZINC000334956515 387035386 /nfs/dbraw/zinc/03/53/86/387035386.db2.gz NKGWFNSDVODANT-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN COc1ncncc1CN1CCC[C@H](C(C)C)C1 ZINC000648027465 387040218 /nfs/dbraw/zinc/04/02/18/387040218.db2.gz NHEBTLKGUONVQC-LBPRGKRZSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1ccc(CNCc2cnccn2)c(C)c1 ZINC000514657593 387047577 /nfs/dbraw/zinc/04/75/77/387047577.db2.gz RTHVGCAWSKEHJA-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1ccc(-c2nn(C)cc2CNCCF)o1 ZINC000648030712 387048927 /nfs/dbraw/zinc/04/89/27/387048927.db2.gz NMLCJPXWFDUCBZ-UHFFFAOYSA-N 0 1 237.278 2.048 20 0 BEADMN CCN1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1C ZINC000334966770 387049163 /nfs/dbraw/zinc/04/91/63/387049163.db2.gz FOIWQLYRJNYIKP-OLZOCXBDSA-N 0 1 247.386 2.183 20 0 BEADMN FC(F)CSc1nc(-c2ccccn2)n[nH]1 ZINC000117113893 387009604 /nfs/dbraw/zinc/00/96/04/387009604.db2.gz XERGHDDWMCPYRO-UHFFFAOYSA-N 0 1 242.254 2.224 20 0 BEADMN FC(F)(F)CC[N@H+]1CCC[C@]12CCOC2 ZINC000341969746 387011022 /nfs/dbraw/zinc/01/10/22/387011022.db2.gz NXXKIAABFSZANE-SECBINFHSA-N 0 1 223.238 2.194 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)nc1 ZINC000336224871 387065713 /nfs/dbraw/zinc/06/57/13/387065713.db2.gz JZJBJRQNBQCJGY-OAHLLOKOSA-N 0 1 246.354 2.393 20 0 BEADMN Cc1nnc(CN2CCCC[C@H]2C(C)C)o1 ZINC000117348079 387016796 /nfs/dbraw/zinc/01/67/96/387016796.db2.gz VHRFVBFXTRZLSR-NSHDSACASA-N 0 1 223.320 2.389 20 0 BEADMN CC(C)[C@@H]1CCCCN1Cc1nnnn1C1CC1 ZINC000117348445 387016901 /nfs/dbraw/zinc/01/69/01/387016901.db2.gz GSMSAGLSHUBODD-LBPRGKRZSA-N 0 1 249.362 2.019 20 0 BEADMN CC(C)[C@H]1CCCCN1Cc1nnnn1C1CC1 ZINC000117348449 387018021 /nfs/dbraw/zinc/01/80/21/387018021.db2.gz GSMSAGLSHUBODD-GFCCVEGCSA-N 0 1 249.362 2.019 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H](C)C(C)C)cc1 ZINC000228075988 387066037 /nfs/dbraw/zinc/06/60/37/387066037.db2.gz PVMPPKBYCIHHSW-AAEUAGOBSA-N 0 1 234.343 2.156 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1C ZINC000519167246 387024781 /nfs/dbraw/zinc/02/47/81/387024781.db2.gz MEIZZJUNTDLWNG-GFCCVEGCSA-N 0 1 221.300 2.463 20 0 BEADMN Cc1ccc(O)c(CN2CC(CC(F)F)C2)n1 ZINC000425366304 387025068 /nfs/dbraw/zinc/02/50/68/387025068.db2.gz PELLQKQCPDDYMZ-UHFFFAOYSA-N 0 1 242.269 2.183 20 0 BEADMN COc1cc2c(cc1CN1CC(C)C1)O[C@H](C)C2 ZINC000519188068 387027643 /nfs/dbraw/zinc/02/76/43/387027643.db2.gz AOQOEWJDTGGQAB-LLVKDONJSA-N 0 1 247.338 2.470 20 0 BEADMN Cn1ccnc1[C@@H](N[C@@H]1COC(C)(C)C1)C1CC1 ZINC000418051344 387068955 /nfs/dbraw/zinc/06/89/55/387068955.db2.gz ROMYXMYYIUBNGC-RYUDHWBXSA-N 0 1 249.358 2.028 20 0 BEADMN CC(C)(C)CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000031760182 387071365 /nfs/dbraw/zinc/07/13/65/387071365.db2.gz YXWXGGQLKKLQGS-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN CCCCCC(=O)N1CCNC[C@H]1CCC ZINC000359238676 387071791 /nfs/dbraw/zinc/07/17/91/387071791.db2.gz NJYDPHKZVLRNPN-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CCC[C@H](C)C(=O)N1CCNC[C@@H]1CCC ZINC000359244755 387072551 /nfs/dbraw/zinc/07/25/51/387072551.db2.gz ROFBYFDLQDCJOT-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CC1CCCC1 ZINC000359232293 387072859 /nfs/dbraw/zinc/07/28/59/387072859.db2.gz IWGIFXHPVQWSIW-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN COCc1cc(CN2C[C@H](C)[C@H](C)[C@H]2C)no1 ZINC000418120368 387072911 /nfs/dbraw/zinc/07/29/11/387072911.db2.gz HMFXZDHVHFLAFB-GARJFASQSA-N 0 1 238.331 2.297 20 0 BEADMN C[C@H](NCc1cccnc1)c1cccnc1 ZINC000020140815 387075080 /nfs/dbraw/zinc/07/50/80/387075080.db2.gz WIJJNPVMIUGOES-NSHDSACASA-N 0 1 213.284 2.327 20 0 BEADMN CC(C)[C@H]1N(Cc2ccnn2C)CC1(C)C ZINC000336243129 387079818 /nfs/dbraw/zinc/07/98/18/387079818.db2.gz UTJAOSWYNFTFOC-GFCCVEGCSA-N 0 1 221.348 2.287 20 0 BEADMN CC(C)n1cncc1CNCc1ccc(O)cc1 ZINC000228406050 387093451 /nfs/dbraw/zinc/09/34/51/387093451.db2.gz PMUDYRZYGVOZOP-UHFFFAOYSA-N 0 1 245.326 2.459 20 0 BEADMN CCC[C@H](CC)[S@](=O)Cc1n[nH]c(CC)n1 ZINC000359394182 387096370 /nfs/dbraw/zinc/09/63/70/387096370.db2.gz QQEPQUIYSBUIOM-XXFAHNHDSA-N 0 1 243.376 2.195 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)c1ccccc1C ZINC000336265502 387098920 /nfs/dbraw/zinc/09/89/20/387098920.db2.gz MYVCQUGOOZEMPH-ZDUSSCGKSA-N 0 1 246.354 2.209 20 0 BEADMN CN(Cc1cnns1)C1(C)CCCC1 ZINC000336266330 387099318 /nfs/dbraw/zinc/09/93/18/387099318.db2.gz UXSYOOVEWBBHER-UHFFFAOYSA-N 0 1 211.334 2.303 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccon1 ZINC000186374012 387099717 /nfs/dbraw/zinc/09/97/17/387099717.db2.gz ODWHTHIBAXYRSZ-OLZOCXBDSA-N 0 1 238.331 2.358 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000336273041 387106317 /nfs/dbraw/zinc/10/63/17/387106317.db2.gz TUUWVULZWXEKAP-XHDPSFHLSA-N 0 1 247.338 2.092 20 0 BEADMN Cn1ccc(CNc2cc3c(cn2)CCCC3)c1 ZINC000359463417 387106816 /nfs/dbraw/zinc/10/68/16/387106816.db2.gz AESSTJLETZUSBG-UHFFFAOYSA-N 0 1 241.338 2.333 20 0 BEADMN FC[C@@H]1CN(C[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000418097443 387107741 /nfs/dbraw/zinc/10/77/41/387107741.db2.gz YNGYGQPGAKBCGX-RBSFLKMASA-N 0 1 249.329 2.460 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCC1 ZINC000333956219 387108306 /nfs/dbraw/zinc/10/83/06/387108306.db2.gz GVUXUQRDXRHDOF-JOYOIKCWSA-N 0 1 247.342 2.340 20 0 BEADMN CC1(C)OCC[C@H]1NCc1nc2ccccc2o1 ZINC000336276516 387108457 /nfs/dbraw/zinc/10/84/57/387108457.db2.gz QVGGACLMWLRDPY-GFCCVEGCSA-N 0 1 246.310 2.485 20 0 BEADMN Cn1cc(Nc2nc(C(F)(F)F)ns2)cn1 ZINC000228773950 387114257 /nfs/dbraw/zinc/11/42/57/387114257.db2.gz KMWFNOAQGCVGHS-UHFFFAOYSA-N 0 1 249.221 2.034 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H](C2CCCC2)C1 ZINC000335027634 387120592 /nfs/dbraw/zinc/12/05/92/387120592.db2.gz FFBWKDXSBLESKJ-NSHDSACASA-N 0 1 233.315 2.062 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359558541 387123078 /nfs/dbraw/zinc/12/30/78/387123078.db2.gz OOPSAXIHUVKBGX-MDZLAQPJSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000335029998 387124743 /nfs/dbraw/zinc/12/47/43/387124743.db2.gz SLUMDJSKMZBHRE-LBPRGKRZSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000335029997 387124777 /nfs/dbraw/zinc/12/47/77/387124777.db2.gz SLUMDJSKMZBHRE-GFCCVEGCSA-N 0 1 247.342 2.370 20 0 BEADMN C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1cscn1 ZINC000336316314 387141879 /nfs/dbraw/zinc/14/18/79/387141879.db2.gz SOELHCXWCCPQKN-SCZZXKLOSA-N 0 1 248.355 2.074 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCOCC1CC1 ZINC000120062671 387153938 /nfs/dbraw/zinc/15/39/38/387153938.db2.gz AFXKTKGNUSIDMY-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)[C@@H]1C[C@H]1C ZINC000322158589 387154640 /nfs/dbraw/zinc/15/46/40/387154640.db2.gz JOFLZCSRYRWVBT-HRDYMLBCSA-N 0 1 227.739 2.208 20 0 BEADMN CCC(CC)NCc1nn(C)cc1Cl ZINC000393317746 387154833 /nfs/dbraw/zinc/15/48/33/387154833.db2.gz CAENWGZYLZFMEV-UHFFFAOYSA-N 0 1 215.728 2.352 20 0 BEADMN FC(F)(F)COCCN1CCCC2(CC2)C1 ZINC000186991291 387158116 /nfs/dbraw/zinc/15/81/16/387158116.db2.gz MFTRIDDYSCILQI-UHFFFAOYSA-N 0 1 237.265 2.441 20 0 BEADMN C[C@H](NCCC1(O)CCC1)c1nccs1 ZINC000284193708 387158735 /nfs/dbraw/zinc/15/87/35/387158735.db2.gz BGUCLGZDOLAUEO-VIFPVBQESA-N 0 1 226.345 2.099 20 0 BEADMN Cn1cccc1CNCc1ccc2cc[nH]c2n1 ZINC000353210475 387159826 /nfs/dbraw/zinc/15/98/26/387159826.db2.gz MDRSZOPLOBNMOY-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)C1CCC1 ZINC000393328274 387159864 /nfs/dbraw/zinc/15/98/64/387159864.db2.gz BAPXSGSFTCYYRP-QMMMGPOBSA-N 0 1 227.739 2.352 20 0 BEADMN COCCCCN(C)Cc1ccncc1F ZINC000418145759 387167567 /nfs/dbraw/zinc/16/75/67/387167567.db2.gz NSHDNITWKNKGDW-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN C[C@@H](NCCC1(O)CCC1)c1cscn1 ZINC000284256614 387170341 /nfs/dbraw/zinc/17/03/41/387170341.db2.gz GALMYBPKDLCUMG-SECBINFHSA-N 0 1 226.345 2.099 20 0 BEADMN COCCCCN(C)Cc1nc2ccccc2[nH]1 ZINC000418135864 387170522 /nfs/dbraw/zinc/17/05/22/387170522.db2.gz PYQGZEQIWWRPFC-UHFFFAOYSA-N 0 1 247.342 2.421 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C)on2)C1(C)C ZINC000353280087 387172034 /nfs/dbraw/zinc/17/20/34/387172034.db2.gz ZTIMUTCVMQGIKE-MVWJERBFSA-N 0 1 238.331 2.447 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000353309935 387176021 /nfs/dbraw/zinc/17/60/21/387176021.db2.gz QWHTUYAOXOMWBD-QMMMGPOBSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1ccnc(CN2CC[C@H]3CCC[C@H]32)n1 ZINC000336346096 387176425 /nfs/dbraw/zinc/17/64/25/387176425.db2.gz XJYHVAHQWCIXQH-VXGBXAGGSA-N 0 1 217.316 2.159 20 0 BEADMN CC(C)[N@H+](Cc1nccn1C)CC1CCC1 ZINC000193201706 387179161 /nfs/dbraw/zinc/17/91/61/387179161.db2.gz RYLDKERHWFVFQX-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1ccccc1Cl ZINC000015258435 387181748 /nfs/dbraw/zinc/18/17/48/387181748.db2.gz BDDWXIYBTNWEJP-SECBINFHSA-N 0 1 240.734 2.079 20 0 BEADMN CN(CC(=O)Nc1ccccc1)CC1(C)CC1 ZINC000571856215 387185849 /nfs/dbraw/zinc/18/58/49/387185849.db2.gz JAOVOORBFWSZAI-UHFFFAOYSA-N 0 1 232.327 2.357 20 0 BEADMN FCCCN1CCN(Cc2cccs2)CC1 ZINC000120117036 387186654 /nfs/dbraw/zinc/18/66/54/387186654.db2.gz TVLYWFNTMPPLOK-UHFFFAOYSA-N 0 1 242.363 2.225 20 0 BEADMN CN(Cc1ccoc1)C(=O)c1c(O)cccc1F ZINC000228840040 387133765 /nfs/dbraw/zinc/13/37/65/387133765.db2.gz QVVJWHFNRAHIAU-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)C2CCCCC2)CCO1 ZINC000229040960 387138172 /nfs/dbraw/zinc/13/81/72/387138172.db2.gz WTNBNYVLIWRJNN-ZIAGYGMSSA-N 0 1 241.375 2.038 20 0 BEADMN COCc1ccc(CN2CC(C)(COC)C2)cc1 ZINC000459623553 387141116 /nfs/dbraw/zinc/14/11/16/387141116.db2.gz RGAAAFKNDMDIDI-UHFFFAOYSA-N 0 1 249.354 2.301 20 0 BEADMN Cc1ccc(CCCN2C[C@@H](C)OC[C@H]2C)cn1 ZINC000353447552 387205152 /nfs/dbraw/zinc/20/51/52/387205152.db2.gz IMLNOZCLQPPHMR-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN CCCCN1CCC[C@@H]1c1nc(C)no1 ZINC000353544079 387225302 /nfs/dbraw/zinc/22/53/02/387225302.db2.gz AEHXGSFORZBIBZ-SNVBAGLBSA-N 0 1 209.293 2.315 20 0 BEADMN Cn1cc(CN2CCC[C@H]2c2cccnc2)cn1 ZINC000336398036 387227007 /nfs/dbraw/zinc/22/70/07/387227007.db2.gz YNHLKDZWDOJIAK-AWEZNQCLSA-N 0 1 242.326 2.152 20 0 BEADMN Cc1cncc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000572048741 387228237 /nfs/dbraw/zinc/22/82/37/387228237.db2.gz GMPZOABNBNTTNE-NSHDSACASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000230148185 387234035 /nfs/dbraw/zinc/23/40/35/387234035.db2.gz VVLDKGNWTJMMKT-VXGBXAGGSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1cscc1CN[C@H](C)c1ccc(=O)[nH]n1 ZINC000353601967 387238688 /nfs/dbraw/zinc/23/86/88/387238688.db2.gz BZFZMANMWFBYJT-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN C[C@@H](N[C@H]1CCC12CCCC2)c1ncnn1C ZINC000336413476 387242186 /nfs/dbraw/zinc/24/21/86/387242186.db2.gz PDRMECONVRUDSL-MNOVXSKESA-N 0 1 234.347 2.189 20 0 BEADMN CCc1ccccc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000162039809 387250932 /nfs/dbraw/zinc/25/09/32/387250932.db2.gz NTQFFNVCUGWXRQ-VXGBXAGGSA-N 0 1 246.354 2.071 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(F)F)[C@@H](C(=O)[O-])C1 ZINC000571932035 387200905 /nfs/dbraw/zinc/20/09/05/387200905.db2.gz YHCNXRUMZNMXCA-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN COCC1(NCc2cc(F)ccc2OC)CC1 ZINC000572301268 387312270 /nfs/dbraw/zinc/31/22/70/387312270.db2.gz XICURYNGNCUJMX-UHFFFAOYSA-N 0 1 239.290 2.103 20 0 BEADMN O=C1CCC[C@@H]1[C@H]1COCCN1[C@@H]1C=CCCC1 ZINC000372613922 387315488 /nfs/dbraw/zinc/31/54/88/387315488.db2.gz TVBGKDMVPFROMJ-MGPQQGTHSA-N 0 1 249.354 2.165 20 0 BEADMN CC(=O)c1cc(CN2CCC[C@@H]2C(C)C)on1 ZINC000572175629 387257228 /nfs/dbraw/zinc/25/72/28/387257228.db2.gz PXJITRVJXDRRQA-CYBMUJFWSA-N 0 1 236.315 2.498 20 0 BEADMN CC(C)=CCN[C@@H](c1nncn1C)C(C)C ZINC000285302363 387257935 /nfs/dbraw/zinc/25/79/35/387257935.db2.gz HIMZPUHLFWHOJC-LLVKDONJSA-N 0 1 222.336 2.068 20 0 BEADMN Cc1ccc(CN2CCOCC3(CC3)C2)nc1 ZINC000336443252 387270109 /nfs/dbraw/zinc/27/01/09/387270109.db2.gz YGTFUGHBYHWRBY-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000360372632 387273117 /nfs/dbraw/zinc/27/31/17/387273117.db2.gz ADKVNOFBPKOTCP-XWIASGKRSA-N 0 1 249.358 2.202 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000360372630 387273761 /nfs/dbraw/zinc/27/37/61/387273761.db2.gz ADKVNOFBPKOTCP-UFGOTCBOSA-N 0 1 249.358 2.202 20 0 BEADMN COC[C@H]1CCCCN(Cc2cc(C)on2)C1 ZINC000372106568 387274668 /nfs/dbraw/zinc/27/46/68/387274668.db2.gz ACZVGSSHQLGAHN-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000189257829 387277639 /nfs/dbraw/zinc/27/76/39/387277639.db2.gz QIZKAUJMYHLACU-QWRGUYRKSA-N 0 1 247.342 2.259 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285797188 387279122 /nfs/dbraw/zinc/27/91/22/387279122.db2.gz UGDPBBLDGUEFRU-HTQZYQBOSA-N 0 1 230.258 2.045 20 0 BEADMN CCC[C@H]1CCCN([C@@H](C)C(=O)OCC)C1 ZINC000120877186 387279272 /nfs/dbraw/zinc/27/92/72/387279272.db2.gz KWIXOENVOVNBMJ-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285797198 387279553 /nfs/dbraw/zinc/27/95/53/387279553.db2.gz UGDPBBLDGUEFRU-SFYZADRCSA-N 0 1 230.258 2.045 20 0 BEADMN Cc1nc(C(C)C)oc1CN1C[C@@H](O)C[C@H]1C ZINC000336452920 387279919 /nfs/dbraw/zinc/27/99/19/387279919.db2.gz JRLRJZOZPLTQLI-KOLCDFICSA-N 0 1 238.331 2.062 20 0 BEADMN COc1ccc(CNCc2ccoc2C)cn1 ZINC000321618153 387283837 /nfs/dbraw/zinc/28/38/37/387283837.db2.gz RTKXDBVNQCTKJD-UHFFFAOYSA-N 0 1 232.283 2.281 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)c1ccccc1 ZINC000572254596 387287877 /nfs/dbraw/zinc/28/78/77/387287877.db2.gz TWCDMPLZHLDLQZ-NSHDSACASA-N 0 1 243.310 2.251 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CC[C@H](C)C2)c1C ZINC000336462327 387292033 /nfs/dbraw/zinc/29/20/33/387292033.db2.gz SVWFRZLIMYGRNH-KWQFWETISA-N 0 1 235.331 2.193 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CCN1CCCSC ZINC000360542804 387306913 /nfs/dbraw/zinc/30/69/13/387306913.db2.gz KXRNHYFKQJYOKK-GHMZBOCLSA-N 0 1 245.388 2.013 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCSC ZINC000360542805 387307063 /nfs/dbraw/zinc/30/70/63/387307063.db2.gz KXRNHYFKQJYOKK-MNOVXSKESA-N 0 1 245.388 2.013 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCSC ZINC000360542807 387307558 /nfs/dbraw/zinc/30/75/58/387307558.db2.gz KXRNHYFKQJYOKK-WDEREUQCSA-N 0 1 245.388 2.013 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1[C@@H]1C=CCCC1 ZINC000360556179 387308445 /nfs/dbraw/zinc/30/84/45/387308445.db2.gz HCDMKXOKRZUXAB-XQQFMLRXSA-N 0 1 237.343 2.369 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)CCC ZINC000162052097 387309271 /nfs/dbraw/zinc/30/92/71/387309271.db2.gz WWVXUEGLOQYECI-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@H](C)CC ZINC000423525750 387356716 /nfs/dbraw/zinc/35/67/16/387356716.db2.gz YNWCADIMUJLOAS-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccno2)C12CCC2 ZINC000515293345 387356888 /nfs/dbraw/zinc/35/68/88/387356888.db2.gz QCNNBIROUNDZAT-NEPJUHHUSA-N 0 1 236.315 2.064 20 0 BEADMN CCc1cccc(F)c1CNC[C@H](O)C(F)F ZINC000354508380 387385025 /nfs/dbraw/zinc/38/50/25/387385025.db2.gz SLXNGCGVVYUELO-NSHDSACASA-N 0 1 247.260 2.104 20 0 BEADMN CC/C=C(\C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000360891013 387362699 /nfs/dbraw/zinc/36/26/99/387362699.db2.gz WARLPFCHLNTJSL-NYYWCZLTSA-N 0 1 247.342 2.472 20 0 BEADMN CC[C@@H]1C[C@H](NCC(C)(F)F)CCO1 ZINC000648594444 387367141 /nfs/dbraw/zinc/36/71/41/387367141.db2.gz PWWSJXFLWPLUJO-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000336549821 387369753 /nfs/dbraw/zinc/36/97/53/387369753.db2.gz QFNLCLMERKORMR-GJZGRUSLSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1ncccc1F ZINC000648483971 387381315 /nfs/dbraw/zinc/38/13/15/387381315.db2.gz XLJYPFSPGMOGLY-LDYMZIIASA-N 0 1 226.320 2.062 20 0 BEADMN Cc1cnc(C[N@@H+]2CCC[C@@H](C)CC2)nc1 ZINC000336495597 387320686 /nfs/dbraw/zinc/32/06/86/387320686.db2.gz KBJSNJNJSAMOHD-LLVKDONJSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)CC2)nc1 ZINC000336495597 387320689 /nfs/dbraw/zinc/32/06/89/387320689.db2.gz KBJSNJNJSAMOHD-LLVKDONJSA-N 0 1 219.332 2.407 20 0 BEADMN CCS[C@H]1CCC[C@@H]1NCc1ccon1 ZINC000286271042 387321746 /nfs/dbraw/zinc/32/17/46/387321746.db2.gz UCAGPTGLFUIPFN-QWRGUYRKSA-N 0 1 226.345 2.438 20 0 BEADMN COC[C@H]1CCN1C/C=C\c1ccccc1OC ZINC000354056260 387322184 /nfs/dbraw/zinc/32/21/84/387322184.db2.gz GDAWNKWHHZXPRV-BRLPQQTGSA-N 0 1 247.338 2.429 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(C)CC1(C)C ZINC000354487181 387382659 /nfs/dbraw/zinc/38/26/59/387382659.db2.gz DZTCFPJOWXUNJZ-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC=C(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000372777167 387327962 /nfs/dbraw/zinc/32/79/62/387327962.db2.gz UEFFSAVZDAKHGY-BWLWAFFFSA-N 0 1 233.315 2.260 20 0 BEADMN C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000286411701 387329839 /nfs/dbraw/zinc/32/98/39/387329839.db2.gz LVYAUAARIZQSQA-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CC[C@@H](O)c1ccccc1 ZINC000286411701 387329844 /nfs/dbraw/zinc/32/98/44/387329844.db2.gz LVYAUAARIZQSQA-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN CCCn1c(C)nnc1CN1CCC[C@H]1C1CC1 ZINC000372856862 387332007 /nfs/dbraw/zinc/33/20/07/387332007.db2.gz NNAXCNWLXUAYLH-ZDUSSCGKSA-N 0 1 248.374 2.371 20 0 BEADMN CCN(Cc1ccc2c(n1)CCC2)[C@@H]1CCOC1 ZINC000515214084 387348903 /nfs/dbraw/zinc/34/89/03/387348903.db2.gz AQVYIPJPEASVRO-CQSZACIVSA-N 0 1 246.354 2.181 20 0 BEADMN CC[C@@H](C)CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000354233897 387349283 /nfs/dbraw/zinc/34/92/83/387349283.db2.gz ALXFDDGVWHJGOI-GHMZBOCLSA-N 0 1 249.358 2.210 20 0 BEADMN C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)C ZINC000007386572 387350539 /nfs/dbraw/zinc/35/05/39/387350539.db2.gz WDKPVBCCJVLGPK-MRVPVSSYSA-N 0 1 226.707 2.229 20 0 BEADMN Cn1ccc(CN2CCOC[C@H]2CC2CCC2)c1 ZINC000354731010 387424339 /nfs/dbraw/zinc/42/43/39/387424339.db2.gz LGSVARYZVSUCLB-OAHLLOKOSA-N 0 1 248.370 2.416 20 0 BEADMN CC[C@@H](C(N)=O)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374511386 387461866 /nfs/dbraw/zinc/46/18/66/387461866.db2.gz BPMQPUUDCPJEAN-LBPRGKRZSA-N 0 1 248.326 2.023 20 0 BEADMN CC[C@@H](C(N)=O)N1CCC(C)=C(c2ccco2)C1 ZINC000374511386 387461870 /nfs/dbraw/zinc/46/18/70/387461870.db2.gz BPMQPUUDCPJEAN-LBPRGKRZSA-N 0 1 248.326 2.023 20 0 BEADMN CC[C@]1(C)CCN(Cc2nccn2C)C1 ZINC000336604051 387447573 /nfs/dbraw/zinc/44/75/73/387447573.db2.gz YZHMZACOTYZYJD-GFCCVEGCSA-N 0 1 207.321 2.042 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000038024229 387451201 /nfs/dbraw/zinc/45/12/01/387451201.db2.gz ILGLILPIEUEVDZ-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN COc1cc(C)nc(CN2[C@H](C)C[C@H]2C)c1 ZINC000336611997 387452437 /nfs/dbraw/zinc/45/24/37/387452437.db2.gz UGNBBVKQRPGMQV-GHMZBOCLSA-N 0 1 220.316 2.381 20 0 BEADMN CCc1cccc(F)c1CN(C)C[C@H](C)O ZINC000361008248 387388137 /nfs/dbraw/zinc/38/81/37/387388137.db2.gz DMMLPUPQIJOLKP-JTQLQIEISA-N 0 1 225.307 2.201 20 0 BEADMN CCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082777125 387388297 /nfs/dbraw/zinc/38/82/97/387388297.db2.gz WPYMAPRAOUWOSH-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC2(C1)CCCC2 ZINC000336566065 387391763 /nfs/dbraw/zinc/39/17/63/387391763.db2.gz YYYCTDAGZHJVBH-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN CCOC[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354546246 387393552 /nfs/dbraw/zinc/39/35/52/387393552.db2.gz TYZFONZMFSMZAG-JTQLQIEISA-N 0 1 220.316 2.407 20 0 BEADMN Cc1cnc(CSc2nc(C3CC3)n[nH]2)nc1 ZINC000361087924 387400455 /nfs/dbraw/zinc/40/04/55/387400455.db2.gz OEBFHRUZWXRJCZ-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1cnc(CSc2n[nH]c(C3CC3)n2)nc1 ZINC000361087924 387400459 /nfs/dbraw/zinc/40/04/59/387400459.db2.gz OEBFHRUZWXRJCZ-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN CCCNc1ccc(Cl)cc1NC(=O)CN ZINC000423736517 387404772 /nfs/dbraw/zinc/40/47/72/387404772.db2.gz YTQTVTBUDYGGRN-UHFFFAOYSA-N 0 1 241.722 2.059 20 0 BEADMN CSCCN(C)Cc1cn(C)nc1C(F)F ZINC000361182161 387412038 /nfs/dbraw/zinc/41/20/38/387412038.db2.gz WQGUERRGLIZTEM-UHFFFAOYSA-N 0 1 249.330 2.153 20 0 BEADMN CC(C)(C)OCCN1CCO[C@H]2CCC[C@H]21 ZINC000374015226 387412040 /nfs/dbraw/zinc/41/20/40/387412040.db2.gz UBTLPLWNJAFZMG-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CCC1(C)CCN([C@H](C)c2nccc(N)n2)CC1 ZINC000515667607 387415938 /nfs/dbraw/zinc/41/59/38/387415938.db2.gz OIVFADXSKPPPOT-LLVKDONJSA-N 0 1 248.374 2.462 20 0 BEADMN CCN(CC(C)(C)C)C(=O)CN(CC)C1CC1 ZINC000361221821 387417466 /nfs/dbraw/zinc/41/74/66/387417466.db2.gz SZXYFQZZYRZYIB-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000122225372 387501459 /nfs/dbraw/zinc/50/14/59/387501459.db2.gz ZLAAFXYIRHLYCI-UWVGGRQHSA-N 0 1 235.331 2.117 20 0 BEADMN CC[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC000421919364 387502653 /nfs/dbraw/zinc/50/26/53/387502653.db2.gz QJJJHHKZNNNSIA-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000042295061 387508160 /nfs/dbraw/zinc/50/81/60/387508160.db2.gz DBCREIMRGPKERE-LBPRGKRZSA-N 0 1 249.310 2.005 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)C(C)(C)C(=O)[O-] ZINC000041853890 387509598 /nfs/dbraw/zinc/50/95/98/387509598.db2.gz FULPANQWEXIFIF-UHFFFAOYSA-N 0 1 225.263 2.121 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccoc2)n1 ZINC000361605874 387510758 /nfs/dbraw/zinc/51/07/58/387510758.db2.gz BWECMLWXRNCYEL-SECBINFHSA-N 0 1 221.260 2.376 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000355280381 387511849 /nfs/dbraw/zinc/51/18/49/387511849.db2.gz NFGGQDYEIYDWDW-JHJVBQTASA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000361619211 387511811 /nfs/dbraw/zinc/51/18/11/387511811.db2.gz LZHCNNHTCXXDSB-CHWSQXEVSA-N 0 1 238.375 2.332 20 0 BEADMN CCN(CCCN(C)c1ccccc1)C1COC1 ZINC000516460431 387512347 /nfs/dbraw/zinc/51/23/47/387512347.db2.gz PXYAKJHOWYNLRT-UHFFFAOYSA-N 0 1 248.370 2.234 20 0 BEADMN O=C([O-])CCCCCNc1[nH]c2ccccc2[nH+]1 ZINC000416426119 387517403 /nfs/dbraw/zinc/51/74/03/387517403.db2.gz HPUOMMHBBNLAOC-UHFFFAOYSA-N 0 1 247.298 2.042 20 0 BEADMN CC(=O)Nc1ccc(NCc2[nH]ncc2C)cc1 ZINC000352821659 387519176 /nfs/dbraw/zinc/51/91/76/387519176.db2.gz IBYOKLHCRCKLLU-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN CC(C)CON=c1[nH]cncc1Br ZINC000276290498 387523000 /nfs/dbraw/zinc/52/30/00/387523000.db2.gz YIXQOADOCQBQDP-UHFFFAOYSA-N 0 1 246.108 2.239 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1cccnc1Cl ZINC000276899804 387525369 /nfs/dbraw/zinc/52/53/69/387525369.db2.gz IYIWANKSOUJZTM-BDAKNGLRSA-N 0 1 228.723 2.421 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nccn1CC(C)C ZINC000361765955 387532060 /nfs/dbraw/zinc/53/20/60/387532060.db2.gz MDWFOJBVVBWFHD-NEPJUHHUSA-N 0 1 239.363 2.052 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1ccc(Cl)cc1 ZINC000192786694 387534607 /nfs/dbraw/zinc/53/46/07/387534607.db2.gz PZXSNLVGMWVDLF-SECBINFHSA-N 0 1 240.734 2.079 20 0 BEADMN Cc1cc(C)c(CN[C@@H](C)c2cnn(C)c2)cn1 ZINC000397060080 387536871 /nfs/dbraw/zinc/53/68/71/387536871.db2.gz WLVKSECCMFXEPD-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2ncc(C)o2)C1(C)C ZINC000355043830 387469394 /nfs/dbraw/zinc/46/93/94/387469394.db2.gz SOGXZAIWVMSWPH-YUSALJHKSA-N 0 1 238.331 2.132 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2ncc(C)o2)C1(C)C ZINC000355043831 387470784 /nfs/dbraw/zinc/47/07/84/387470784.db2.gz SOGXZAIWVMSWPH-ZMLRMANQSA-N 0 1 238.331 2.132 20 0 BEADMN COc1cc(Cl)ccc1CN(C)C[C@H](C)O ZINC000361505850 387473976 /nfs/dbraw/zinc/47/39/76/387473976.db2.gz VNLUQNNDTFXGDL-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C)C[C@@H](C)N1 ZINC000424074431 387479047 /nfs/dbraw/zinc/47/90/47/387479047.db2.gz HFBPCYKPDBMTTO-FDYHWXHSSA-N 0 1 238.375 2.022 20 0 BEADMN CO[C@H]1CCCN(Cc2csc(C)n2)CC1 ZINC000374678617 387480315 /nfs/dbraw/zinc/48/03/15/387480315.db2.gz LZJBJMRVTGVCFN-LBPRGKRZSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1nnc(CN(CC2CC2)CC2CCC2)n1C ZINC000361556449 387488091 /nfs/dbraw/zinc/48/80/91/387488091.db2.gz HKEFGPZIARVNGX-UHFFFAOYSA-N 0 1 248.374 2.136 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)[C@@H](C)CC(=O)[O-] ZINC000516315025 387493569 /nfs/dbraw/zinc/49/35/69/387493569.db2.gz GRZOLXPXBUTFLD-JTQLQIEISA-N 0 1 239.290 2.429 20 0 BEADMN Cc1cnc(CCN(C)CC2(F)CC2)s1 ZINC000527510888 387590204 /nfs/dbraw/zinc/59/02/04/387590204.db2.gz RTCVCICERZSTMY-UHFFFAOYSA-N 0 1 228.336 2.428 20 0 BEADMN CN(Cc1ncccc1Cl)C[C@@H]1CCOC1 ZINC000528400004 387591844 /nfs/dbraw/zinc/59/18/44/387591844.db2.gz VODZPGGVTJMTCL-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cncs1 ZINC000161762464 387592291 /nfs/dbraw/zinc/59/22/91/387592291.db2.gz DURNBMZNEMUBEU-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN CC1=CCCN(Cc2cc(CO)ccc2F)C1 ZINC000528491956 387594714 /nfs/dbraw/zinc/59/47/14/387594714.db2.gz WKLNRNFYIUOFND-UHFFFAOYSA-N 0 1 235.302 2.470 20 0 BEADMN c1cc(CN[C@H]2CCc3ccccc3OC2)on1 ZINC000367218022 387596883 /nfs/dbraw/zinc/59/68/83/387596883.db2.gz DPPBIRJGMHFSAB-LBPRGKRZSA-N 0 1 244.294 2.158 20 0 BEADMN COc1cccc(CN2CC(C)=C[C@@H](C)C2)n1 ZINC000430264713 387603258 /nfs/dbraw/zinc/60/32/58/387603258.db2.gz SJCBFUNDQVBHEJ-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN CC1=C[C@@H](C)CN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000430273299 387604475 /nfs/dbraw/zinc/60/44/75/387604475.db2.gz DFUWAWSBQOAHCM-YPMHNXCESA-N 0 1 238.375 2.045 20 0 BEADMN Cc1cc(CN[C@@H](CO)c2ccsc2)ccn1 ZINC000527538006 387606117 /nfs/dbraw/zinc/60/61/17/387606117.db2.gz IJUSJOOXRZWULZ-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN CCOC(=O)[C@H](CC)N1CC(C)=C[C@H](C)C1 ZINC000430277444 387607374 /nfs/dbraw/zinc/60/73/74/387607374.db2.gz NMGUCKGENBAJAN-JQWIXIFHSA-N 0 1 225.332 2.226 20 0 BEADMN CN(CCO)Cc1cscc1C(F)(F)F ZINC000356079737 387614291 /nfs/dbraw/zinc/61/42/91/387614291.db2.gz BMJZGBGVLCXICD-UHFFFAOYSA-N 0 1 239.262 2.191 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)C2)o1 ZINC000362447748 387614827 /nfs/dbraw/zinc/61/48/27/387614827.db2.gz LLUAORQTCXITPO-CIUDSAMLSA-N 0 1 209.293 2.027 20 0 BEADMN CN(C)c1ncc(CN(C)[C@H]2C=CCCC2)cn1 ZINC000356220314 387629565 /nfs/dbraw/zinc/62/95/65/387629565.db2.gz MLRSXBSWNDCSPZ-ZDUSSCGKSA-N 0 1 246.358 2.083 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@H](C)C2)n1C ZINC000122964345 387622127 /nfs/dbraw/zinc/62/21/27/387622127.db2.gz ZZDCODPCMMMDMM-CMPLNLGQSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1csc(CN2CCC[C@H](C)[C@H]2CO)n1 ZINC000305695645 387629614 /nfs/dbraw/zinc/62/96/14/387629614.db2.gz UJDCFKUQCPHWBT-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN CC1(CNCc2ncnn2-c2ccccc2)CC1 ZINC000527239406 387547390 /nfs/dbraw/zinc/54/73/90/387547390.db2.gz DROAHKWNPFWZGF-UHFFFAOYSA-N 0 1 242.326 2.157 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCO2)cn1 ZINC000122529528 387549372 /nfs/dbraw/zinc/54/93/72/387549372.db2.gz NHTUCYFDDBPMBT-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CC[C@H](C)C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426234636 387549809 /nfs/dbraw/zinc/54/98/09/387549809.db2.gz DEYMXONRGHMNPX-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)CN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426234636 387549812 /nfs/dbraw/zinc/54/98/12/387549812.db2.gz DEYMXONRGHMNPX-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](c1cccnc1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426236436 387549926 /nfs/dbraw/zinc/54/99/26/387549926.db2.gz HKKIPBDNDNWHAN-IACUBPJLSA-N 0 1 234.343 2.378 20 0 BEADMN Cc1nc(-c2cccc(NC(=O)CN)c2)cs1 ZINC000034981066 387550729 /nfs/dbraw/zinc/55/07/29/387550729.db2.gz PLFMLIABLFGFGN-UHFFFAOYSA-N 0 1 247.323 2.016 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000548425999 387551425 /nfs/dbraw/zinc/55/14/25/387551425.db2.gz ACLNJQCZTWIYST-NNYUYHANSA-N 0 1 226.364 2.162 20 0 BEADMN CCCc1nc(C)c(CN[C@@H](C)COCC)o1 ZINC000426345840 387556638 /nfs/dbraw/zinc/55/66/38/387556638.db2.gz FJBPUKFKNHDKED-JTQLQIEISA-N 0 1 240.347 2.450 20 0 BEADMN Cn1ccnc1CN(CC1CC1)C1CCC1 ZINC000355673255 387564212 /nfs/dbraw/zinc/56/42/12/387564212.db2.gz APGRZIUWTUGRAJ-UHFFFAOYSA-N 0 1 219.332 2.185 20 0 BEADMN C[C@@H]1[C@H](C)CN(CC(=O)OC(C)(C)C)[C@H]1C ZINC000399743849 387569080 /nfs/dbraw/zinc/56/90/80/387569080.db2.gz JYCRGXOOGVDIKS-MXWKQRLJSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1nc(CNCCc2ccc(C)cn2)cs1 ZINC000399765156 387569830 /nfs/dbraw/zinc/56/98/30/387569830.db2.gz VHDPAWWILJEFNR-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(C)c(F)c1 ZINC000037990467 387570224 /nfs/dbraw/zinc/57/02/24/387570224.db2.gz RRHNTCBHFYKQKP-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN COCc1cc([C@H](C)NCCF)ccc1OC ZINC000281069650 387572969 /nfs/dbraw/zinc/57/29/69/387572969.db2.gz OCTKNZGKWPLMOC-JTQLQIEISA-N 0 1 241.306 2.462 20 0 BEADMN Cc1ccnc(NC(=O)[C@H](N)c2ccccc2)c1 ZINC000040458943 387578760 /nfs/dbraw/zinc/57/87/60/387578760.db2.gz YMFYTPDACDOEIO-CYBMUJFWSA-N 0 1 241.294 2.029 20 0 BEADMN CCNCc1ncc(Br)cc1F ZINC000527633317 387645243 /nfs/dbraw/zinc/64/52/43/387645243.db2.gz YHJSJPLPQNORTM-UHFFFAOYSA-N 0 1 233.084 2.093 20 0 BEADMN CSc1ccccc1C[N@H+]1CCC[C@H](O)C1 ZINC000305812155 387657653 /nfs/dbraw/zinc/65/76/53/387657653.db2.gz JWEUEPXJCJGXSY-LBPRGKRZSA-N 0 1 237.368 2.365 20 0 BEADMN CN(Cc1ccco1)C(=O)c1ccc(F)cc1O ZINC000123183966 387658952 /nfs/dbraw/zinc/65/89/52/387658952.db2.gz YUYWMKFCONPXCQ-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccco1 ZINC000306045217 387671820 /nfs/dbraw/zinc/67/18/20/387671820.db2.gz UVTJBWJNRKRVBM-TUAOUCFPSA-N 0 1 248.326 2.084 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000126069545 387673481 /nfs/dbraw/zinc/67/34/81/387673481.db2.gz FXZOUYWTAWACJA-VXNVDRBHSA-N 0 1 214.334 2.137 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncccn2)n[nH]1 ZINC000362956424 387679964 /nfs/dbraw/zinc/67/99/64/387679964.db2.gz YEVJPRGMVKKGLP-RKDXNWHRSA-N 0 1 246.318 2.281 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)Nc2ncccn2)n[nH]1 ZINC000362956422 387680791 /nfs/dbraw/zinc/68/07/91/387680791.db2.gz YEVJPRGMVKKGLP-IUCAKERBSA-N 0 1 246.318 2.281 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000440762335 387686707 /nfs/dbraw/zinc/68/67/07/387686707.db2.gz HNBHJSLTQWDQHQ-WDEREUQCSA-N 0 1 245.338 2.398 20 0 BEADMN CC[C@@H](F)CN1CCc2ccccc2[C@@H]1CO ZINC000440767557 387687298 /nfs/dbraw/zinc/68/72/98/387687298.db2.gz SWPJBHCIBKIAGL-OCCSQVGLSA-N 0 1 237.318 2.326 20 0 BEADMN Cc1c(Cl)c(CNCC2CC=CC2)nn1C ZINC000527745284 387688738 /nfs/dbraw/zinc/68/87/38/387688738.db2.gz RNTOSVOTXMPWTF-UHFFFAOYSA-N 0 1 239.750 2.438 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](Oc2ccccn2)C1 ZINC000440771688 387690514 /nfs/dbraw/zinc/69/05/14/387690514.db2.gz SALCWYWANAXPOR-NEPJUHHUSA-N 0 1 238.306 2.283 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)C(C)(C)C ZINC000356963416 387749819 /nfs/dbraw/zinc/74/98/19/387749819.db2.gz IDQBOKSEPAUPJE-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cnc([C@H](C)N2CCN(CC3CC3)CC2)o1 ZINC000356958719 387754719 /nfs/dbraw/zinc/75/47/19/387754719.db2.gz UXDWNZZUXZCECG-LBPRGKRZSA-N 0 1 249.358 2.072 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2c1OCC2 ZINC000527760985 387698992 /nfs/dbraw/zinc/69/89/92/387698992.db2.gz HZCPWUDKXKQYNO-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN CC[C@@H](F)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000440792010 387700699 /nfs/dbraw/zinc/70/06/99/387700699.db2.gz KKPXULNMIHTINB-SNVBAGLBSA-N 0 1 246.370 2.265 20 0 BEADMN Cc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)o1 ZINC000527767047 387701615 /nfs/dbraw/zinc/70/16/15/387701615.db2.gz RVGCUGRAYGZBLU-MFKMUULPSA-N 0 1 221.300 2.245 20 0 BEADMN C=C/C=C\CCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC001645380002 1172662970 /nfs/dbraw/zinc/66/29/70/1172662970.db2.gz LDFMLGYHXTVINY-AGFGORMFSA-N 0 1 237.343 2.392 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cnc(C)s1 ZINC000527783751 387711960 /nfs/dbraw/zinc/71/19/60/387711960.db2.gz SMJZLMDXUSJVDR-MNOVXSKESA-N 0 1 226.345 2.109 20 0 BEADMN CCCn1cc(CNCc2cccnc2C)cn1 ZINC000527793235 387720411 /nfs/dbraw/zinc/72/04/11/387720411.db2.gz HJZDRJNTDFLZCB-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN Cc1csc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000527802622 387725707 /nfs/dbraw/zinc/72/57/07/387725707.db2.gz AQRCIMSTARTYMP-WDCWCFNPSA-N 0 1 240.372 2.353 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cscn1 ZINC000527806562 387729973 /nfs/dbraw/zinc/72/99/73/387729973.db2.gz XZIZEYNHOKZKPQ-PKIKSRDPSA-N 0 1 226.345 2.045 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cscn1 ZINC000527806560 387730384 /nfs/dbraw/zinc/73/03/84/387730384.db2.gz XZIZEYNHOKZKPQ-CKEKPRIKSA-N 0 1 226.345 2.045 20 0 BEADMN Cc1cscc1CNCc1cn(C)nc1C ZINC000127930870 387732868 /nfs/dbraw/zinc/73/28/68/387732868.db2.gz GSEZUOORQVLCBO-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCC(C)(C)C ZINC000356849637 387733296 /nfs/dbraw/zinc/73/32/96/387733296.db2.gz LLPUSBDIBHPTBL-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356868943 387734866 /nfs/dbraw/zinc/73/48/66/387734866.db2.gz ZOJJNOLDPWRGTF-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](CCC1CCCCC1)NC(=O)CN(C)C ZINC000115717335 387737126 /nfs/dbraw/zinc/73/71/26/387737126.db2.gz CANXOOJOSOOVJB-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1cccc(C2CC2)c1 ZINC000452193500 387767896 /nfs/dbraw/zinc/76/78/96/387767896.db2.gz IYZQFUMCNHSMBJ-LLVKDONJSA-N 0 1 246.354 2.303 20 0 BEADMN CC[C@@H](NC(=O)c1ccc(F)cc1O)C(F)F ZINC000452243799 387778040 /nfs/dbraw/zinc/77/80/40/387778040.db2.gz LFBPMCMWWUXDGC-MRVPVSSYSA-N 0 1 247.216 2.305 20 0 BEADMN Cc1ccc(CN2CCC3(CCOC3=O)CC2)o1 ZINC000359882338 387789779 /nfs/dbraw/zinc/78/97/79/387789779.db2.gz VVPJKFYJVBIOEB-UHFFFAOYSA-N 0 1 249.310 2.117 20 0 BEADMN CCC[C@H](CN[C@H]1CCn2ccnc21)OCC ZINC000527930800 387794951 /nfs/dbraw/zinc/79/49/51/387794951.db2.gz LHFKBKCXVBXQCI-NEPJUHHUSA-N 0 1 237.347 2.123 20 0 BEADMN Cc1ccc(CN2CCN(C)CC2)cc1Cl ZINC000193575181 387798000 /nfs/dbraw/zinc/79/80/00/387798000.db2.gz QYBPZPMVDBVACO-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN Cc1nc([C@H](C)NCC23CC(C2)CO3)cs1 ZINC000527981195 387798203 /nfs/dbraw/zinc/79/82/03/387798203.db2.gz LUWBXNKVNSLQMF-JNHNWMDNSA-N 0 1 238.356 2.281 20 0 BEADMN Cc1ncncc1[C@H](C)N[C@@H]1C[C@]1(C)OC(C)C ZINC000528004326 387809818 /nfs/dbraw/zinc/80/98/18/387809818.db2.gz FBCCTFGTROGUFF-YUTCNCBUSA-N 0 1 249.358 2.392 20 0 BEADMN CSCCN(C)Cc1cnc(C)s1 ZINC000193932187 387811006 /nfs/dbraw/zinc/81/10/06/387811006.db2.gz PGPRBEYKVNKXSC-UHFFFAOYSA-N 0 1 216.375 2.246 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCOCC2)[C@H](C)[C@H](C)O1 ZINC000432789226 387820669 /nfs/dbraw/zinc/82/06/69/387820669.db2.gz QIEPQWYGKQEAIG-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CCC[C@@H](NCc1cnnn1C)c1ccccc1 ZINC000135846981 387825136 /nfs/dbraw/zinc/82/51/36/387825136.db2.gz GTHRHAHGEAYTPS-CQSZACIVSA-N 0 1 244.342 2.446 20 0 BEADMN Cc1nc(CCNCc2cscn2)c(C)o1 ZINC000309614921 387835372 /nfs/dbraw/zinc/83/53/72/387835372.db2.gz BKDMBHMGAZTTKP-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN COCC[N@@H+](Cc1cocn1)[C@H]1CC[C@H](C)C1 ZINC000432926522 387840335 /nfs/dbraw/zinc/84/03/35/387840335.db2.gz GVFCFMVWDQLDOK-AAEUAGOBSA-N 0 1 238.331 2.312 20 0 BEADMN COCCN(Cc1cocn1)[C@H]1CC[C@H](C)C1 ZINC000432926522 387840339 /nfs/dbraw/zinc/84/03/39/387840339.db2.gz GVFCFMVWDQLDOK-AAEUAGOBSA-N 0 1 238.331 2.312 20 0 BEADMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cocn1 ZINC000432926865 387840504 /nfs/dbraw/zinc/84/05/04/387840504.db2.gz DKODGLURTIYQKO-CYBMUJFWSA-N 0 1 238.331 2.048 20 0 BEADMN CC(C)C[C@@]1(CO)CCCN1Cc1cocn1 ZINC000432926865 387840508 /nfs/dbraw/zinc/84/05/08/387840508.db2.gz DKODGLURTIYQKO-CYBMUJFWSA-N 0 1 238.331 2.048 20 0 BEADMN CCN(CC(=O)N(C)C(C)C)Cc1ccccc1 ZINC000061758256 387844602 /nfs/dbraw/zinc/84/46/02/387844602.db2.gz GSOSWAXBLJNTRW-UHFFFAOYSA-N 0 1 248.370 2.375 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)CN1CCCC1 ZINC000061757188 387845225 /nfs/dbraw/zinc/84/52/25/387845225.db2.gz GCOOCQFWXMGFHE-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CCCN(C)CC(=O)Nc1ccccc1C ZINC000061760876 387845689 /nfs/dbraw/zinc/84/56/89/387845689.db2.gz AWLFTPPJLLBPSA-UHFFFAOYSA-N 0 1 220.316 2.275 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000442879332 387855591 /nfs/dbraw/zinc/85/55/91/387855591.db2.gz AQEOAKMYZNWFIV-GXTWGEPZSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nnc(C)o1 ZINC000062639401 387855614 /nfs/dbraw/zinc/85/56/14/387855614.db2.gz DFAIVFGZPPQMLM-SNVBAGLBSA-N 0 1 209.293 2.143 20 0 BEADMN CCCCCCN1CCOC[C@]12CCOC2 ZINC000193710504 387863318 /nfs/dbraw/zinc/86/33/18/387863318.db2.gz HATWPHXWNYPHIG-CYBMUJFWSA-N 0 1 227.348 2.058 20 0 BEADMN C(SCC1CC1)c1n[nH]c(C2CC2)n1 ZINC000193690695 387863383 /nfs/dbraw/zinc/86/33/83/387863383.db2.gz HYHMVKVMEVWOPA-UHFFFAOYSA-N 0 1 209.318 2.325 20 0 BEADMN Cc1cc(F)c(CNCCN2CCC2)c(F)c1 ZINC000424154607 387815372 /nfs/dbraw/zinc/81/53/72/387815372.db2.gz JWOVUEKIEXRBHM-UHFFFAOYSA-N 0 1 240.297 2.069 20 0 BEADMN c1nc(CN2CCC3(C2)CCOCC3)cs1 ZINC000266545291 387817406 /nfs/dbraw/zinc/81/74/06/387817406.db2.gz JMPSTJSJDSALRG-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCC2CCOCC2)n1 ZINC000432779479 387817920 /nfs/dbraw/zinc/81/79/20/387817920.db2.gz KNHPYPJETVUNMS-CYBMUJFWSA-N 0 1 249.358 2.363 20 0 BEADMN C[C@H](N[C@H]1COC(C)(C)C1)c1ncccc1F ZINC000528039256 387819399 /nfs/dbraw/zinc/81/93/99/387819399.db2.gz ZCIAONBISTXGPQ-VHSXEESVSA-N 0 1 238.306 2.439 20 0 BEADMN O=C1CCC[C@H]1[C@@H]1COCCN1CC1=CCCC1 ZINC000645860265 387879254 /nfs/dbraw/zinc/87/92/54/387879254.db2.gz UABLJJSSJVOYNW-KBPBESRZSA-N 0 1 249.354 2.167 20 0 BEADMN CN(CCO[C@@H]1CCCCO1)Cc1ccco1 ZINC000195230415 387909936 /nfs/dbraw/zinc/90/99/36/387909936.db2.gz ALRUFIWLNONDJX-CYBMUJFWSA-N 0 1 239.315 2.255 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCCN1CC ZINC000452778981 387917019 /nfs/dbraw/zinc/91/70/19/387917019.db2.gz RZQKGZSNJFZOOU-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)[C@@H](C)[C@@H](C)O1 ZINC000438361204 387929507 /nfs/dbraw/zinc/92/95/07/387929507.db2.gz APOHTDWIHJPRTL-GRYCIOLGSA-N 0 1 222.332 2.023 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C(C)(F)F ZINC000452858125 387930904 /nfs/dbraw/zinc/93/09/04/387930904.db2.gz HGOJIPJMCVLGHO-VHSXEESVSA-N 0 1 248.317 2.021 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncccn1 ZINC000444869457 387936529 /nfs/dbraw/zinc/93/65/29/387936529.db2.gz IKISTTTUTRFZPZ-UHFFFAOYSA-N 0 1 245.330 2.134 20 0 BEADMN COc1ccnc(CNC2CCC3(CC3)CC2)n1 ZINC000424196284 387923323 /nfs/dbraw/zinc/92/33/23/387923323.db2.gz ZTRUWQIFCJODTL-UHFFFAOYSA-N 0 1 247.342 2.298 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCC1CCCCCC1 ZINC000452799910 387924168 /nfs/dbraw/zinc/92/41/68/387924168.db2.gz ZDWHHLQLNAGGHU-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCC[C@]1(CO)CCCN1Cc1cc(C)on1 ZINC000444766860 387924649 /nfs/dbraw/zinc/92/46/49/387924649.db2.gz NTFMZVBJTWJPRG-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN CC(C)[C@@H](CC(F)(F)F)NCc1ccn(C)n1 ZINC000438479119 387937602 /nfs/dbraw/zinc/93/76/02/387937602.db2.gz RCJNCEJUHRIJNE-SNVBAGLBSA-N 0 1 249.280 2.487 20 0 BEADMN CC[C@@H](COC)NCc1nc2ccccc2n1C ZINC000079736646 387956173 /nfs/dbraw/zinc/95/61/73/387956173.db2.gz MQYDEQXKDTZHKF-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](CO)C1 ZINC000245441158 387946607 /nfs/dbraw/zinc/94/66/07/387946607.db2.gz VESDZFYGAHZNEH-VHSXEESVSA-N 0 1 241.281 2.340 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H]2C(C)(C)C)n1 ZINC000424306401 387962251 /nfs/dbraw/zinc/96/22/51/387962251.db2.gz IDBTUPCKGRQZQS-GHMZBOCLSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CN[C@@H](C)CC(C)(C)C)n1 ZINC000424307505 387964856 /nfs/dbraw/zinc/96/48/56/387964856.db2.gz LSCCUSVTCCSEAT-JTQLQIEISA-N 0 1 237.347 2.400 20 0 BEADMN CCC[C@]1(C)C(=O)NCCN1CC1=CCCC1 ZINC000645881624 387965861 /nfs/dbraw/zinc/96/58/61/387965861.db2.gz GDLGARKQPHRXKZ-CQSZACIVSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1[nH]ncc1CN[C@@H](C1CC1)C(F)(F)F ZINC000288332280 387970449 /nfs/dbraw/zinc/97/04/49/387970449.db2.gz AUKWIRAMBWOJQP-VIFPVBQESA-N 0 1 233.237 2.149 20 0 BEADMN COc1ccnc(CN[C@H](C)CCC2CC2)n1 ZINC000424310928 387974156 /nfs/dbraw/zinc/97/41/56/387974156.db2.gz UFFDTKDXANZYEW-SNVBAGLBSA-N 0 1 235.331 2.154 20 0 BEADMN c1nc2c(s1)CN(CCc1ccccn1)CC2 ZINC000445850712 387975386 /nfs/dbraw/zinc/97/53/86/387975386.db2.gz YMGHUSZQPSBWCQ-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN CC[C@@H](C)N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453056853 387975474 /nfs/dbraw/zinc/97/54/74/387975474.db2.gz LVRXTHCLZXFWMW-NOZJJQNGSA-N 0 1 248.305 2.421 20 0 BEADMN CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)C(C)(C)C ZINC000446052735 387987646 /nfs/dbraw/zinc/98/76/46/387987646.db2.gz NBUAYIVAYCZTIN-LLVKDONJSA-N 0 1 237.347 2.202 20 0 BEADMN CCCN1CCCN(CC2=CCCC2)CC1=O ZINC000645887060 387987870 /nfs/dbraw/zinc/98/78/70/387987870.db2.gz QEIGPKMOSWMFHO-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@]2(C)C[C@@H]2F)n1 ZINC000424342632 387982514 /nfs/dbraw/zinc/98/25/14/387982514.db2.gz YOOQCYFBJTZXDB-DKCNOQQISA-N 0 1 227.283 2.115 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)[C@H](C)[C@H](C)O1 ZINC000446083339 387997862 /nfs/dbraw/zinc/99/78/62/387997862.db2.gz QXYIRIRRKJSRJL-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)cc2)[C@H](C)[C@@H](C)O1 ZINC000446080659 387998179 /nfs/dbraw/zinc/99/81/79/387998179.db2.gz SSMVMHZEUXULJN-JHJVBQTASA-N 0 1 249.354 2.177 20 0 BEADMN Cc1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000045894530 388001895 /nfs/dbraw/zinc/00/18/95/388001895.db2.gz GIWUJQHSOOQTIX-UHFFFAOYSA-N 0 1 232.268 2.497 20 0 BEADMN CC(C)=CCSCCN1CCOC[C@H]1C ZINC000446128971 388001993 /nfs/dbraw/zinc/00/19/93/388001993.db2.gz BZRFFDCSHJENOG-GFCCVEGCSA-N 0 1 229.389 2.407 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000453181759 388003494 /nfs/dbraw/zinc/00/34/94/388003494.db2.gz QJLVBTMIYCTGFO-DRZSPHRISA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000163790766 388006657 /nfs/dbraw/zinc/00/66/57/388006657.db2.gz APNJIYMPJQIXIJ-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN CC[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(F)F ZINC000453246181 388023764 /nfs/dbraw/zinc/02/37/64/388023764.db2.gz MQEDHPQGXIWQHO-DVVUODLYSA-N 0 1 232.318 2.102 20 0 BEADMN CCC[C@@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000108286137 388023836 /nfs/dbraw/zinc/02/38/36/388023836.db2.gz LYXWWCIYVOVIKR-LLVKDONJSA-N 0 1 244.298 2.076 20 0 BEADMN CCC[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 ZINC000108286132 388024855 /nfs/dbraw/zinc/02/48/55/388024855.db2.gz LYXWWCIYVOVIKR-NSHDSACASA-N 0 1 244.298 2.076 20 0 BEADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCO ZINC000246168879 388015168 /nfs/dbraw/zinc/01/51/68/388015168.db2.gz NSGITKKQTUAXDR-UMVBOHGHSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CCC[C@H](CC(=O)N2CCN[C@@H](C)C2)C1 ZINC000446411644 388019373 /nfs/dbraw/zinc/01/93/73/388019373.db2.gz RJEQVFQBZHBRBH-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CN[C@H](CC)c1nccn1C)OC ZINC000453238735 388020505 /nfs/dbraw/zinc/02/05/05/388020505.db2.gz ALMTVKVMIRPRQE-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN Cc1nc2ccc(NC(=O)c3ccc[nH]3)cc2[nH]1 ZINC000082277607 388020558 /nfs/dbraw/zinc/02/05/58/388020558.db2.gz NWIGKPYCQPMNRU-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC[C@H](N[C@@H](C)CCCOC)C(F)F ZINC000453242876 388022256 /nfs/dbraw/zinc/02/22/56/388022256.db2.gz HYHPHRVOGRVJCY-IUCAKERBSA-N 0 1 209.280 2.435 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)[nH]n1 ZINC000246236765 388022911 /nfs/dbraw/zinc/02/29/11/388022911.db2.gz YZIMTUJOXBPTMK-MSRIBSCDSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@H](N[C@@H]1CCOC[C@H]1C)C(F)F ZINC000453246099 388023098 /nfs/dbraw/zinc/02/30/98/388023098.db2.gz LZIBAHHLCFNWKJ-HRDYMLBCSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@H](N[C@@H]1CCOC[C@@H]1C)C(F)F ZINC000453246101 388023269 /nfs/dbraw/zinc/02/32/69/388023269.db2.gz LZIBAHHLCFNWKJ-XHNCKOQMSA-N 0 1 207.264 2.045 20 0 BEADMN COc1ccnc(CN2C3CCC2CC3)c1 ZINC000533237331 388032958 /nfs/dbraw/zinc/03/29/58/388032958.db2.gz NJPDNBXFJBEJBD-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN CC[C@@](C)(CN[C@H](C)c1cc(C)n(C)n1)OC ZINC000453297341 388038115 /nfs/dbraw/zinc/03/81/15/388038115.db2.gz ICNRARDRPRSALX-YPMHNXCESA-N 0 1 239.363 2.194 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCOC1(C)C ZINC000453297343 388038458 /nfs/dbraw/zinc/03/84/58/388038458.db2.gz RHGWAHMUGIJBQP-QWRGUYRKSA-N 0 1 237.347 2.121 20 0 BEADMN CC/C=C/CN[C@H](CC)c1ccn(C)n1 ZINC000453317477 388039711 /nfs/dbraw/zinc/03/97/11/388039711.db2.gz KTYULILPCBAPPN-XUIVZRPNSA-N 0 1 207.321 2.427 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)CCC(=O)[O-] ZINC000261527760 135151685 /nfs/dbraw/zinc/15/16/85/135151685.db2.gz GVADLLZMJQLCTA-JTQLQIEISA-N 0 1 201.310 2.075 20 0 BEADMN CCC[C@]1(COC)CCCN1Cc1cocn1 ZINC000447070722 388051636 /nfs/dbraw/zinc/05/16/36/388051636.db2.gz XPWZOICNGSHRBO-CYBMUJFWSA-N 0 1 238.331 2.456 20 0 BEADMN CCc1nnc(SC[C@@H]2CCO[C@@H](C)C2)[nH]1 ZINC000447112549 388054611 /nfs/dbraw/zinc/05/46/11/388054611.db2.gz VYXBWSFIRINWMS-DTWKUNHWSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCO[C@@H](C)C2)n1 ZINC000447112549 388054615 /nfs/dbraw/zinc/05/46/15/388054615.db2.gz VYXBWSFIRINWMS-DTWKUNHWSA-N 0 1 241.360 2.274 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)C(C)(C)OC ZINC000453359582 388058452 /nfs/dbraw/zinc/05/84/52/388058452.db2.gz QEEBRTIPHAZORU-WDEREUQCSA-N 0 1 239.363 2.367 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000453358818 388058632 /nfs/dbraw/zinc/05/86/32/388058632.db2.gz OTQHLGMWTYBZAK-BDAKNGLRSA-N 0 1 224.304 2.065 20 0 BEADMN CC[C@@H](F)CN1CCC(c2ccnn2C)CC1 ZINC000440691710 388066412 /nfs/dbraw/zinc/06/64/12/388066412.db2.gz FKOQELFZKNPQKF-GFCCVEGCSA-N 0 1 239.338 2.348 20 0 BEADMN CCCc1ncc(CN[C@@H]2CCOC2(C)C)o1 ZINC000453387370 388066709 /nfs/dbraw/zinc/06/67/09/388066709.db2.gz OUXNFVVZODDRBU-LLVKDONJSA-N 0 1 238.331 2.284 20 0 BEADMN CCCc1ncc(CN[C@H]2CCOC2(C)C)o1 ZINC000453387373 388067300 /nfs/dbraw/zinc/06/73/00/388067300.db2.gz OUXNFVVZODDRBU-NSHDSACASA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccnn1C ZINC000447610049 388082822 /nfs/dbraw/zinc/08/28/22/388082822.db2.gz ZZQYCKCUGPFLSQ-NXEZZACHSA-N 0 1 248.305 2.366 20 0 BEADMN Cc1cnc(CNCCc2ccc(C)cn2)s1 ZINC000453600692 388090474 /nfs/dbraw/zinc/09/04/74/388090474.db2.gz MSGBZANWQUJXJF-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN C=Cn1cc(C[N@H+](C)C2CCC(OC)CC2)cn1 ZINC000447745764 388090561 /nfs/dbraw/zinc/09/05/61/388090561.db2.gz NOECUAICPXYKLE-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN CCC1CN(Cc2cnc(N(C)C)s2)C1 ZINC000453603387 388091535 /nfs/dbraw/zinc/09/15/35/388091535.db2.gz KVFVXAOGZDSGMM-UHFFFAOYSA-N 0 1 225.361 2.051 20 0 BEADMN Fc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396622 388092264 /nfs/dbraw/zinc/09/22/64/388092264.db2.gz MZXBYTSYYQRTLU-JTQLQIEISA-N 0 1 233.246 2.300 20 0 BEADMN CCC(C)(C)OCCNCc1ncc(C)n1C ZINC000453609251 388092668 /nfs/dbraw/zinc/09/26/68/388092668.db2.gz DMVCRZPQRSYNJW-UHFFFAOYSA-N 0 1 239.363 2.023 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2ncc[nH]2)C12CCCC2 ZINC000085681755 388094592 /nfs/dbraw/zinc/09/45/92/388094592.db2.gz AFGOXKMRQVCJHV-VXGBXAGGSA-N 0 1 249.358 2.237 20 0 BEADMN CCCn1ncnc1CN1[C@H](C)CC[C@H]1CC ZINC000447888083 388099865 /nfs/dbraw/zinc/09/98/65/388099865.db2.gz BPBFYTGYDBNWFK-VXGBXAGGSA-N 0 1 236.363 2.451 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000086726474 388107906 /nfs/dbraw/zinc/10/79/06/388107906.db2.gz ULHFENBNWWXTRC-GFCCVEGCSA-N 0 1 237.274 2.183 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)Cc2ccno2)C1(C)C ZINC000533294026 388046134 /nfs/dbraw/zinc/04/61/34/388046134.db2.gz FLBOTOOMDHMOER-VXGBXAGGSA-N 0 1 238.331 2.310 20 0 BEADMN CC[C@@H](F)CN1CCC(c2cnn(C)c2)CC1 ZINC000440517090 388048916 /nfs/dbraw/zinc/04/89/16/388048916.db2.gz UVFROCBMHZEQTI-CYBMUJFWSA-N 0 1 239.338 2.348 20 0 BEADMN COC[C@@H](C)NCc1cc(F)c(F)cc1F ZINC000083359503 388049288 /nfs/dbraw/zinc/04/92/88/388049288.db2.gz ISDGBWLXOMZRBW-SSDOTTSWSA-N 0 1 233.233 2.228 20 0 BEADMN CCc1nocc1CN1CC(C(C)C)C1 ZINC000646182020 388160533 /nfs/dbraw/zinc/16/05/33/388160533.db2.gz PXEBHLUUGNZPCA-UHFFFAOYSA-N 0 1 208.305 2.325 20 0 BEADMN COc1nccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)n1 ZINC000449240682 388161322 /nfs/dbraw/zinc/16/13/22/388161322.db2.gz OJXQGAJGWOCEQM-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN CCN(CCC1CC1)Cc1nccnc1OC ZINC000449243015 388161917 /nfs/dbraw/zinc/16/19/17/388161917.db2.gz HHQBMMGAKNQIFB-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)C[N@@H+](Cc1nccn1C)C(C)C ZINC000195514497 388166025 /nfs/dbraw/zinc/16/60/25/388166025.db2.gz FXUGCSYILPMEBW-UHFFFAOYSA-N 0 1 209.337 2.287 20 0 BEADMN COc1nccnc1CN[C@H]1CCC12CCCC2 ZINC000449286633 388168419 /nfs/dbraw/zinc/16/84/19/388168419.db2.gz VDIRHOIKROTLBS-LBPRGKRZSA-N 0 1 247.342 2.298 20 0 BEADMN CC(C)N(CCc1ccccc1F)C1COC1 ZINC000449348924 388178970 /nfs/dbraw/zinc/17/89/70/388178970.db2.gz CZEFAVCWKIEPGQ-UHFFFAOYSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H]1C[C@@H]1CNc1cnccc1-n1cccn1 ZINC000488451034 388180452 /nfs/dbraw/zinc/18/04/52/388180452.db2.gz RMIBDGDAPAIKHT-WDEREUQCSA-N 0 1 228.299 2.335 20 0 BEADMN CC[C@H](N[C@H](C)[C@@H]1CCCOC1)C(F)F ZINC000449365038 388183421 /nfs/dbraw/zinc/18/34/21/388183421.db2.gz UWXAAKHJTCQGAH-BBBLOLIVSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H](NCC[C@H]1CCOC1)C(F)F ZINC000449366671 388183431 /nfs/dbraw/zinc/18/34/31/388183431.db2.gz ZUJDIXKCUJMORW-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CC[C@H](N[C@H](C)[C@H]1CCCOC1)C(F)F ZINC000449365040 388183547 /nfs/dbraw/zinc/18/35/47/388183547.db2.gz UWXAAKHJTCQGAH-UTLUCORTSA-N 0 1 221.291 2.435 20 0 BEADMN CN(CCC(C)(C)C)Cc1cc(=O)c(O)co1 ZINC000646028046 388127993 /nfs/dbraw/zinc/12/79/93/388127993.db2.gz ZBZGTKTXDYNLGN-UHFFFAOYSA-N 0 1 239.315 2.213 20 0 BEADMN Cc1cccc(CN2CCN(C)C[C@@H]2C)c1F ZINC000449034008 388133121 /nfs/dbraw/zinc/13/31/21/388133121.db2.gz HHEUTGREVYWESQ-LBPRGKRZSA-N 0 1 236.334 2.270 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1CC[C@@](C)(CC)C1 ZINC000449036714 388133836 /nfs/dbraw/zinc/13/38/36/388133836.db2.gz KZLYYLNDIABMAY-CYBMUJFWSA-N 0 1 236.363 2.228 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC000449037446 388134105 /nfs/dbraw/zinc/13/41/05/388134105.db2.gz NGDRSHYPIFIIJS-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@]1(C)CCN(Cc2ccnc(OC)n2)C1 ZINC000449037446 388134108 /nfs/dbraw/zinc/13/41/08/388134108.db2.gz NGDRSHYPIFIIJS-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN CN(CCC1CC1)Cc1ccncc1F ZINC000449044162 388135281 /nfs/dbraw/zinc/13/52/81/388135281.db2.gz BUQYKTCJTYBJCI-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCCNC(=O)CNCc1cccc2ccoc21 ZINC000449059218 388136570 /nfs/dbraw/zinc/13/65/70/388136570.db2.gz OXXKUKZNFOOFJK-UHFFFAOYSA-N 0 1 246.310 2.049 20 0 BEADMN CCc1nocc1CN(CCO)CC(C)(C)C ZINC000646075264 388137396 /nfs/dbraw/zinc/13/73/96/388137396.db2.gz KXMKLGZLIBDTTO-UHFFFAOYSA-N 0 1 240.347 2.077 20 0 BEADMN CC(C)[C@@H](NCC(F)F)C1(CO)CC=CC1 ZINC000646083803 388139295 /nfs/dbraw/zinc/13/92/95/388139295.db2.gz BLPCFONLRWEXER-LLVKDONJSA-N 0 1 233.302 2.194 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000449122163 388145715 /nfs/dbraw/zinc/14/57/15/388145715.db2.gz KJLLFFXRSGCHPG-DGCLKSJQSA-N 0 1 246.354 2.157 20 0 BEADMN CC[C@@H](C)[C@@](C)(O)CNCc1ncc(C)s1 ZINC000449144350 388148283 /nfs/dbraw/zinc/14/82/83/388148283.db2.gz ZLHQIRXSCULOPB-SKDRFNHKSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1nnc(CN2CCCC[C@H]2C2CCC2)n1C ZINC000646138530 388154014 /nfs/dbraw/zinc/15/40/14/388154014.db2.gz LDBTXPMTMRGIRO-ZDUSSCGKSA-N 0 1 248.374 2.278 20 0 BEADMN CO[C@@H](C)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451025343 388260929 /nfs/dbraw/zinc/26/09/29/388260929.db2.gz KDZKCRKKGOTEID-LBPRGKRZSA-N 0 1 232.327 2.206 20 0 BEADMN C[C@H](NC(CF)CF)C1CCSCC1 ZINC000449382358 388188920 /nfs/dbraw/zinc/18/89/20/388188920.db2.gz WIDLAXZJHAVSBZ-QMMMGPOBSA-N 0 1 223.332 2.415 20 0 BEADMN CC(C)[C@H]1C[C@H](NC(CF)CF)CCO1 ZINC000449382383 388189007 /nfs/dbraw/zinc/18/90/07/388189007.db2.gz WLQDVGVFZDPDPF-MWLCHTKSSA-N 0 1 221.291 2.087 20 0 BEADMN CCCCC(=O)N1CCN(CC)C[C@H]1CC ZINC000456362567 388197857 /nfs/dbraw/zinc/19/78/57/388197857.db2.gz WVPSPHFRDIDWGJ-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCN(CCc1cccc(C)c1)C1COC1 ZINC000449421772 388200619 /nfs/dbraw/zinc/20/06/19/388200619.db2.gz BIENMPMMGGFUTQ-UHFFFAOYSA-N 0 1 219.328 2.258 20 0 BEADMN CCc1ccc(CN(CC)C2COC2)cc1 ZINC000449421797 388200640 /nfs/dbraw/zinc/20/06/40/388200640.db2.gz BMMHDEUVKZZAOI-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN CCN(CCc1ccccc1F)C1COC1 ZINC000449422101 388201206 /nfs/dbraw/zinc/20/12/06/388201206.db2.gz CLDHTEIRXFASKC-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN Cn1cc(CN2CC[C@@H]2C2CC2)c(C(F)F)n1 ZINC000449425170 388202113 /nfs/dbraw/zinc/20/21/13/388202113.db2.gz HCGKDQMGBXOFAG-SNVBAGLBSA-N 0 1 241.285 2.342 20 0 BEADMN CCOC(=O)c1coc(CN2CC[C@@H]2C2CC2)c1 ZINC000449427031 388202277 /nfs/dbraw/zinc/20/22/77/388202277.db2.gz MTHDNLUBVWZSEZ-CYBMUJFWSA-N 0 1 249.310 2.441 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456528539 388206523 /nfs/dbraw/zinc/20/65/23/388206523.db2.gz KZXMGRJLKUFBEZ-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489362936 388209043 /nfs/dbraw/zinc/20/90/43/388209043.db2.gz ZCIBPNYRZUFASC-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489362937 388209145 /nfs/dbraw/zinc/20/91/45/388209145.db2.gz ZCIBPNYRZUFASC-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC/C=C/CNCc1ccn(C(F)F)n1 ZINC000449450655 388209466 /nfs/dbraw/zinc/20/94/66/388209466.db2.gz BMBFVMHXONIIJS-ONEGZZNKSA-N 0 1 215.247 2.334 20 0 BEADMN Cc1csc(CNCc2cnc(C)nc2)c1 ZINC000449473801 388213681 /nfs/dbraw/zinc/21/36/81/388213681.db2.gz CKUUGPMBPOQPNN-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CC[C@](C)(CNCc1ccn(C(F)F)n1)OC ZINC000449480184 388215323 /nfs/dbraw/zinc/21/53/23/388215323.db2.gz XQFAVVYPEKMJHY-LLVKDONJSA-N 0 1 247.289 2.183 20 0 BEADMN CCO[C@H]1CCN(Cc2cncs2)C[C@@H]1C ZINC000449489723 388217994 /nfs/dbraw/zinc/21/79/94/388217994.db2.gz AUAKGKYKVANNHH-JQWIXIFHSA-N 0 1 240.372 2.390 20 0 BEADMN CCO[C@H]1CCN(Cc2cncs2)C[C@H]1C ZINC000449489724 388218315 /nfs/dbraw/zinc/21/83/15/388218315.db2.gz AUAKGKYKVANNHH-PWSUYJOCSA-N 0 1 240.372 2.390 20 0 BEADMN Cn1ccnc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449539558 388227342 /nfs/dbraw/zinc/22/73/42/388227342.db2.gz LULAQFXSLDNLII-OCCSQVGLSA-N 0 1 231.343 2.041 20 0 BEADMN COC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490042201 388232036 /nfs/dbraw/zinc/23/20/36/388232036.db2.gz IECGGNHHLFEMRO-OCCSQVGLSA-N 0 1 247.338 2.346 20 0 BEADMN CC[C@H]1CN(CC)CCN1Cc1cncs1 ZINC000449567317 388232316 /nfs/dbraw/zinc/23/23/16/388232316.db2.gz VNIKDVIUGYHEPL-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN CC(C)OC1CC(N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000449568328 388235312 /nfs/dbraw/zinc/23/53/12/388235312.db2.gz AUVDTARVJWWVPE-IKWCTNDRSA-N 0 1 249.358 2.435 20 0 BEADMN Cc1cc(F)c(CNC[C@@H](C)O)c(Cl)c1 ZINC000459376711 388242660 /nfs/dbraw/zinc/24/26/60/388242660.db2.gz LSRQBOFMTYVFHA-MRVPVSSYSA-N 0 1 231.698 2.258 20 0 BEADMN CCCc1ncc(CN[C@@H]2CCSC2)o1 ZINC000449609413 388242713 /nfs/dbraw/zinc/24/27/13/388242713.db2.gz BMAFZFUMLCGVRA-SECBINFHSA-N 0 1 226.345 2.222 20 0 BEADMN CCCc1ncc(CNC2CC(OCC)C2)o1 ZINC000449614204 388243444 /nfs/dbraw/zinc/24/34/44/388243444.db2.gz UTIQDKIQVJXFPR-UHFFFAOYSA-N 0 1 238.331 2.284 20 0 BEADMN Cc1cc(CNCCCc2ccccn2)no1 ZINC000459445269 388244733 /nfs/dbraw/zinc/24/47/33/388244733.db2.gz GQPYAFXHGCTBNP-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nccn1C(C)C ZINC000451623437 388285729 /nfs/dbraw/zinc/28/57/29/388285729.db2.gz LZIQXKMIHXPJOM-VXGBXAGGSA-N 0 1 237.347 2.121 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N[C@H](C)C1 ZINC000451637479 388286078 /nfs/dbraw/zinc/28/60/78/388286078.db2.gz BKAYCWSGXCTLLA-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(CN(C)[C@@H](CO)CC(C)(C)C)on1 ZINC000451775720 388295486 /nfs/dbraw/zinc/29/54/86/388295486.db2.gz FABJAWOUICRNPO-LLVKDONJSA-N 0 1 240.347 2.212 20 0 BEADMN Cc1noc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000070234063 388302253 /nfs/dbraw/zinc/30/22/53/388302253.db2.gz HSFATVZQFUSURV-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN O=C(C=CC1CC1)Nc1nc2ccccc2[nH]1 ZINC000491931061 388328410 /nfs/dbraw/zinc/32/84/10/388328410.db2.gz APHQZQVTRPKMLL-FPLPWBNLSA-N 0 1 227.267 2.468 20 0 BEADMN O=C(C=CC1CC1)NCc1nc2ccccc2[nH]1 ZINC000491936906 388328765 /nfs/dbraw/zinc/32/87/65/388328765.db2.gz HQBLZKLHDLPANT-BQYQJAHWSA-N 0 1 241.294 2.145 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000182265783 256617294 /nfs/dbraw/zinc/61/72/94/256617294.db2.gz STBDNCLVTHRVLP-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000182265783 256617295 /nfs/dbraw/zinc/61/72/95/256617295.db2.gz STBDNCLVTHRVLP-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN Cc1noc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)n1 ZINC000451366742 388265703 /nfs/dbraw/zinc/26/57/03/388265703.db2.gz IVVLWMNSHMIBJT-CZXHOFHRSA-N 0 1 245.326 2.022 20 0 BEADMN C[C@@]12CN(Cc3ncccn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366235 388265719 /nfs/dbraw/zinc/26/57/19/388265719.db2.gz IFOKJRLCZPHKGZ-OSFYFWSMSA-N 0 1 241.338 2.121 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(CF)CC1 ZINC000451389431 388268883 /nfs/dbraw/zinc/26/88/83/388268883.db2.gz SWHXTWVQASXBQL-LLVKDONJSA-N 0 1 231.311 2.010 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C)ncn2)C[C@@H]1C ZINC000451526244 388278940 /nfs/dbraw/zinc/27/89/40/388278940.db2.gz GKXGZLLVQQXXDR-FZMZJTMJSA-N 0 1 249.358 2.032 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2CCO[C@H]2C)o1 ZINC000492314369 388341154 /nfs/dbraw/zinc/34/11/54/388341154.db2.gz SGJHATUDHRQYQX-QWRGUYRKSA-N 0 1 238.331 2.203 20 0 BEADMN COC[C@@H](NCc1nccs1)C1CCCC1 ZINC000275864833 388346418 /nfs/dbraw/zinc/34/64/18/388346418.db2.gz NEOWNRVLFUGFGQ-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN CCC(O)(CC)CCNCc1cscn1 ZINC000276261072 388347806 /nfs/dbraw/zinc/34/78/06/388347806.db2.gz SNBZYWXEDNHIEP-UHFFFAOYSA-N 0 1 228.361 2.174 20 0 BEADMN CCNCc1cn(C[C@@H](C)CC(C)C)nn1 ZINC000300899159 388348320 /nfs/dbraw/zinc/34/83/20/388348320.db2.gz KTIDQFDITSBXLC-NSHDSACASA-N 0 1 224.352 2.070 20 0 BEADMN CC(C)=CCCNc1ncnc2[nH]cnc21 ZINC000276868718 388350875 /nfs/dbraw/zinc/35/08/75/388350875.db2.gz ZYCOMNHUKKMMKG-UHFFFAOYSA-N 0 1 217.276 2.121 20 0 BEADMN COc1nccc(CN[C@H](C)c2ccccc2)n1 ZINC000294833679 388404904 /nfs/dbraw/zinc/40/49/04/388404904.db2.gz SPCCYVBXRQQDIH-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000648791595 388359866 /nfs/dbraw/zinc/35/98/66/388359866.db2.gz FNSLPOVWGNGOPR-CHWSQXEVSA-N 0 1 247.342 2.242 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1cnc[nH]1 ZINC000648791611 388360014 /nfs/dbraw/zinc/36/00/14/388360014.db2.gz GCAMXAHNNBATFZ-GXSJLCMTSA-N 0 1 235.331 2.098 20 0 BEADMN C[C@H]1C[C@H](NCCOC(C)(C)C)c2nccn21 ZINC000308688573 388362826 /nfs/dbraw/zinc/36/28/26/388362826.db2.gz DQYSYQRXWPPXQP-QWRGUYRKSA-N 0 1 237.347 2.294 20 0 BEADMN C[N@@H+](Cc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000088255940 388376183 /nfs/dbraw/zinc/37/61/83/388376183.db2.gz QHPUUVDPMZCGKL-UHFFFAOYSA-N 0 1 233.311 2.373 20 0 BEADMN OCCNCc1cc(Cl)sc1Cl ZINC000236502996 388379331 /nfs/dbraw/zinc/37/93/31/388379331.db2.gz PODUCVTVTJQAKC-UHFFFAOYSA-N 0 1 226.128 2.137 20 0 BEADMN O[C@H]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000236565479 388380711 /nfs/dbraw/zinc/38/07/11/388380711.db2.gz ZOTIPMXISARCBW-SFYZADRCSA-N 0 1 246.763 2.047 20 0 BEADMN COc1cccc(CN[C@H]2CO[C@H](C)C2)c1F ZINC000402184054 388383596 /nfs/dbraw/zinc/38/35/96/388383596.db2.gz BRFOLJKROPLSDT-MWLCHTKSSA-N 0 1 239.290 2.101 20 0 BEADMN C[C@H](C[N@@H+](C1CC1)[C@H]1C=CCCC1)C(=O)[O-] ZINC000572890749 388384937 /nfs/dbraw/zinc/38/49/37/388384937.db2.gz JTJWSAJAWSSSCC-MNOVXSKESA-N 0 1 223.316 2.280 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000516608484 388389747 /nfs/dbraw/zinc/38/97/47/388389747.db2.gz PHFZHDNAAXKWBL-CBAPKCEASA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000516608484 388389748 /nfs/dbraw/zinc/38/97/48/388389748.db2.gz PHFZHDNAAXKWBL-CBAPKCEASA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)=CCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000293902315 388392656 /nfs/dbraw/zinc/39/26/56/388392656.db2.gz HIQQLWOLUCNBKH-MNOVXSKESA-N 0 1 205.305 2.445 20 0 BEADMN CCCCN(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000646602372 388393707 /nfs/dbraw/zinc/39/37/07/388393707.db2.gz JEVHQUFQACNOAY-ZYHUDNBSSA-N 0 1 249.358 2.334 20 0 BEADMN CCNCc1cn(CCCC(C)(C)C)nn1 ZINC000300834892 388397568 /nfs/dbraw/zinc/39/75/68/388397568.db2.gz IXGMLJDVVRBUJK-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000174372136 388397732 /nfs/dbraw/zinc/39/77/32/388397732.db2.gz RGUHOGXOAAJXKC-ZYHUDNBSSA-N 0 1 233.315 2.123 20 0 BEADMN N[C@@H](C(=O)N1CCC2(CCC2)C1)c1ccccc1 ZINC000237796973 388397975 /nfs/dbraw/zinc/39/79/75/388397975.db2.gz WYMLTQOCKWOZTG-CYBMUJFWSA-N 0 1 244.338 2.089 20 0 BEADMN CC(C)CCC[N@H+](CC(=O)[O-])CC(C)C ZINC000165511607 388403428 /nfs/dbraw/zinc/40/34/28/388403428.db2.gz SAXZBVJHUKAUGX-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]2C2CCC2)n[nH]1 ZINC000102876196 177754962 /nfs/dbraw/zinc/75/49/62/177754962.db2.gz UKWJCNJEESKAOD-GFCCVEGCSA-N 0 1 233.315 2.123 20 0 BEADMN CC[C@](C)(CN[C@H]1C[C@H](C)n2ccnc21)OC ZINC000322595521 388440249 /nfs/dbraw/zinc/44/02/49/388440249.db2.gz HEHPSOOQEICTTG-GMXVVIOVSA-N 0 1 237.347 2.294 20 0 BEADMN Cc1cc(CNCc2ccsc2C)[nH]n1 ZINC000378660649 388480270 /nfs/dbraw/zinc/48/02/70/388480270.db2.gz AXNMFAWEERJJEF-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CCCCN(CCCC)CC(=O)OCC ZINC000002035976 388449611 /nfs/dbraw/zinc/44/96/11/388449611.db2.gz OMKBLDWHKBELJV-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN CN(Cc1cc(O)cc(F)c1)[C@@H]1CCCOC1 ZINC000335329407 388449782 /nfs/dbraw/zinc/44/97/82/388449782.db2.gz SFKYTVJLCAFJRQ-GFCCVEGCSA-N 0 1 239.290 2.142 20 0 BEADMN COc1cc2c(cc1CN1[C@@H](C)C[C@@H]1C)OCO2 ZINC000525996861 388454144 /nfs/dbraw/zinc/45/41/44/388454144.db2.gz OSBYVJMWAPEWRN-UWVGGRQHSA-N 0 1 249.310 2.407 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1cccc(F)c1F ZINC000335711509 388454532 /nfs/dbraw/zinc/45/45/32/388454532.db2.gz HAUUSZJNVPEKIB-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1OCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000336318629 388456390 /nfs/dbraw/zinc/45/63/90/388456390.db2.gz LTIWOBSXFOORLV-SKDRFNHKSA-N 0 1 218.300 2.160 20 0 BEADMN C[N@H+](CC(=O)[O-])CC1CCC(C)(C)CC1 ZINC000261537505 135173735 /nfs/dbraw/zinc/17/37/35/135173735.db2.gz VUNQEAOKVVGHRR-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1nc(C)cs1 ZINC000336671805 388461058 /nfs/dbraw/zinc/46/10/58/388461058.db2.gz ZGUSHNCWUJLQMP-IUCAKERBSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1cnc(CNCCSCC(C)C)n1C ZINC000336679929 388462319 /nfs/dbraw/zinc/46/23/19/388462319.db2.gz QZGVNIYJPKZMLU-UHFFFAOYSA-N 0 1 241.404 2.207 20 0 BEADMN CC(C)n1c(=[NH2+])[n-]nc1SCC[C@H](C)F ZINC000336695455 388463493 /nfs/dbraw/zinc/46/34/93/388463493.db2.gz NWCXZSQUMQVVQC-ZETCQYMHSA-N 0 1 232.328 2.112 20 0 BEADMN Cc1nccc(N(C)CC[C@H](C)O)c1Cl ZINC000336692101 388463676 /nfs/dbraw/zinc/46/36/76/388463676.db2.gz NAEZPHMGHVAUSJ-QMMMGPOBSA-N 0 1 228.723 2.251 20 0 BEADMN COC[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000193891020 388469413 /nfs/dbraw/zinc/46/94/13/388469413.db2.gz TWINZLTWFBCGLC-JTQLQIEISA-N 0 1 211.280 2.292 20 0 BEADMN CCc1ccc(CNCCOC(C)C)o1 ZINC000134122331 388474393 /nfs/dbraw/zinc/47/43/93/388474393.db2.gz PGYSWYDWCZPORB-UHFFFAOYSA-N 0 1 211.305 2.357 20 0 BEADMN CCN(CC(=O)Nc1ccccc1F)C(C)C ZINC000194096061 388477071 /nfs/dbraw/zinc/47/70/71/388477071.db2.gz QVWXITVZWGENPU-UHFFFAOYSA-N 0 1 238.306 2.495 20 0 BEADMN CCN(Cc1ccoc1C(=O)OC)C(C)C ZINC000194094467 388478084 /nfs/dbraw/zinc/47/80/84/388478084.db2.gz WDOJQIMXXKZRIH-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN Cc1cnccc1CN[C@H](CO)c1ccccc1 ZINC000295275551 388410284 /nfs/dbraw/zinc/41/02/84/388410284.db2.gz WAYFFTAKJWQKOZ-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000648727610 388416863 /nfs/dbraw/zinc/41/68/63/388416863.db2.gz SPFWJQQPZCSXEF-CMPLNLGQSA-N 0 1 249.358 2.407 20 0 BEADMN CCc1ccc([C@@H](C)NCc2c[nH]nn2)cc1 ZINC000296281879 388420516 /nfs/dbraw/zinc/42/05/16/388420516.db2.gz KZGOETXVZKRVRX-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN CCc1ccc([C@H](C)NCc2c[nH]nn2)cc1 ZINC000296281876 388420845 /nfs/dbraw/zinc/42/08/45/388420845.db2.gz KZGOETXVZKRVRX-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1(C)C)c1nccs1 ZINC000296364073 388422595 /nfs/dbraw/zinc/42/25/95/388422595.db2.gz IXEULYKIZRRDTC-RKDXNWHRSA-N 0 1 226.345 2.361 20 0 BEADMN CCN(CC(=O)N(CC(C)C)C(C)C)C1CC1 ZINC000194160183 388479524 /nfs/dbraw/zinc/47/95/24/388479524.db2.gz RTXRMRBNMMHBKX-UHFFFAOYSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000173597165 388426005 /nfs/dbraw/zinc/42/60/05/388426005.db2.gz CGUXZDDCADKRQR-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN FC1(CN2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000573149691 388426432 /nfs/dbraw/zinc/42/64/32/388426432.db2.gz JDIVOCUPJGMVLE-GFCCVEGCSA-N 0 1 236.290 2.037 20 0 BEADMN CC[C@@H](CCO)[NH2+]Cc1cccc([O-])c1Cl ZINC000336889957 388432356 /nfs/dbraw/zinc/43/23/56/388432356.db2.gz GWYRQIATQMZXLB-JTQLQIEISA-N 0 1 243.734 2.296 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@]12C[C@@H]1CCC2 ZINC000573234469 388434782 /nfs/dbraw/zinc/43/47/82/388434782.db2.gz SNRQTXDELZYANH-SDBXPKJASA-N 0 1 242.282 2.087 20 0 BEADMN CO[C@H]1C[C@@H](NCc2cc(C)on2)C12CCC2 ZINC000308400377 388437797 /nfs/dbraw/zinc/43/77/97/388437797.db2.gz WBYKJMFLVPFKSL-NEPJUHHUSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H]1CN(Cc2cc(CO)ccc2F)[C@H]1C ZINC000528513247 388538478 /nfs/dbraw/zinc/53/84/78/388538478.db2.gz RCUUCLBDUBPQTC-UWVGGRQHSA-N 0 1 223.291 2.158 20 0 BEADMN Cc1ncc(CN[C@H]2CCCc3occc32)n1C ZINC000517395634 388550460 /nfs/dbraw/zinc/55/04/60/388550460.db2.gz LOMYBZIMMWAKOS-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN C/C(Cl)=C\CN1CCC[C@@H](n2ccnn2)C1 ZINC000528525910 388543817 /nfs/dbraw/zinc/54/38/17/388543817.db2.gz MJRNKSFBUPVMAC-LLMHMKPQSA-N 0 1 240.738 2.058 20 0 BEADMN CCc1ccccc1CC[N@@H+](C)CCC(=O)[O-] ZINC000517247636 388545417 /nfs/dbraw/zinc/54/54/17/388545417.db2.gz YLQCPURYYORXDZ-UHFFFAOYSA-N 0 1 235.327 2.198 20 0 BEADMN CC[C@@H]1COC[C@H]1NCc1ncccc1Cl ZINC000528548333 388546357 /nfs/dbraw/zinc/54/63/57/388546357.db2.gz BQBRULDGWRTLCG-BXKDBHETSA-N 0 1 240.734 2.250 20 0 BEADMN CC(C)(C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000194274931 388484592 /nfs/dbraw/zinc/48/45/92/388484592.db2.gz IQHPHLQIZVKBKR-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN Cc1nccc(NCC[C@H](C)CCO)c1Cl ZINC000397623477 388485283 /nfs/dbraw/zinc/48/52/83/388485283.db2.gz HQEGHDZSQCAKTH-VIFPVBQESA-N 0 1 242.750 2.286 20 0 BEADMN C[C@@H](NCc1cscn1)[C@@]1(C)CCCO1 ZINC000340213314 388488515 /nfs/dbraw/zinc/48/85/15/388488515.db2.gz CEOKFSRMSDXZHO-MWLCHTKSSA-N 0 1 226.345 2.190 20 0 BEADMN COC(C)(C)CN(C)Cc1nc2ccccc2[nH]1 ZINC000547830546 388490429 /nfs/dbraw/zinc/49/04/29/388490429.db2.gz JOGUYFKOTSHLDR-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN CO[C@H](CNCc1nc(C)c(C)s1)C1CC1 ZINC000378753329 388496718 /nfs/dbraw/zinc/49/67/18/388496718.db2.gz QENFJESXPMULDK-LLVKDONJSA-N 0 1 240.372 2.275 20 0 BEADMN CC(C)CN(C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000646776064 388497064 /nfs/dbraw/zinc/49/70/64/388497064.db2.gz FYAOQGLHKHUHDR-JQWIXIFHSA-N 0 1 249.358 2.190 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cnccc1C ZINC000135552768 388500319 /nfs/dbraw/zinc/50/03/19/388500319.db2.gz ATGVBBNYSHGSQN-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN CO[C@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528373911 388503365 /nfs/dbraw/zinc/50/33/65/388503365.db2.gz SWLWBDPGABYWPU-BSKOKIOFSA-N 0 1 203.713 2.240 20 0 BEADMN CO[C@@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528373918 388503530 /nfs/dbraw/zinc/50/35/30/388503530.db2.gz SWLWBDPGABYWPU-HYHWUIIZSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000648928783 388503721 /nfs/dbraw/zinc/50/37/21/388503721.db2.gz JDNAGGNBIFPGJX-NSHDSACASA-N 0 1 237.347 2.407 20 0 BEADMN CC1(C)[C@H](NCc2nc3ccccc3o2)C[C@@H]1O ZINC000516875219 256804824 /nfs/dbraw/zinc/80/48/24/256804824.db2.gz IOGZREWSMFLZJS-NEPJUHHUSA-N 0 1 246.310 2.077 20 0 BEADMN CCCC[C@H](C(=O)OC)N1[C@H](C)C[C@@H]1C ZINC000548097701 388509599 /nfs/dbraw/zinc/50/95/99/388509599.db2.gz UPFVPRSZVFYUHJ-OUAUKWLOSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@H](C(=O)N(C)C)c1ccccc1 ZINC000548096385 388510643 /nfs/dbraw/zinc/51/06/43/388510643.db2.gz OPXIEPLOJYHXLR-BZPMIXESSA-N 0 1 246.354 2.299 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1[C@H](C)C[C@H]1C ZINC000548096712 388510755 /nfs/dbraw/zinc/51/07/55/388510755.db2.gz KYAAIEPFYVVVGY-JHJVBQTASA-N 0 1 238.375 2.260 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1nccn1C ZINC000356678321 388549512 /nfs/dbraw/zinc/54/95/12/388549512.db2.gz FMUYGORZYAMCFH-SRVKXCTJSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCCCO1 ZINC000345348408 388511945 /nfs/dbraw/zinc/51/19/45/388511945.db2.gz FQWHHFHCACEHDN-WUHRBBMRSA-N 0 1 249.358 2.436 20 0 BEADMN CC[C@@H](CO)N(C)Cc1nc2ccccc2o1 ZINC000345834909 388516818 /nfs/dbraw/zinc/51/68/18/388516818.db2.gz MQJTUYRMUXQGJA-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN c1nnc(-c2ccccc2OC[C@H]2CCCO2)[nH]1 ZINC000517046225 256814000 /nfs/dbraw/zinc/81/40/00/256814000.db2.gz CGGYYOWBXRVFGH-SNVBAGLBSA-N 0 1 245.282 2.030 20 0 BEADMN CCC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CCC1 ZINC000520836205 388525134 /nfs/dbraw/zinc/52/51/34/388525134.db2.gz JACXSZDBWXWOTN-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN CCN(Cc1cn(C)nn1)CC1CC(C)(C)C1 ZINC000528444689 388527944 /nfs/dbraw/zinc/52/79/44/388527944.db2.gz YMOXIVYXIYNSAF-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000517030123 388533306 /nfs/dbraw/zinc/53/33/06/388533306.db2.gz NXCKBVFLUHZELA-GARJFASQSA-N 0 1 213.321 2.075 20 0 BEADMN CCOC(=O)[C@H]1CCC[N@H+]1[C@@H](C)CC1CC1 ZINC000185566340 388588415 /nfs/dbraw/zinc/58/84/15/388588415.db2.gz HQBPKWWZSPPAHJ-CMPLNLGQSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000521570107 388617401 /nfs/dbraw/zinc/61/74/01/388617401.db2.gz GNGGRTXSYSANHH-OUAUKWLOSA-N 0 1 235.331 2.471 20 0 BEADMN CC[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530029011 388605658 /nfs/dbraw/zinc/60/56/58/388605658.db2.gz LMRLPBONSZKZJQ-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(CN[C@H](C)[C@@H]2CCCCO2)on1 ZINC000379305035 388606567 /nfs/dbraw/zinc/60/65/67/388606567.db2.gz SQIHCRSYUQETHG-PWSUYJOCSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H]1C[N@H+](CCCCC(=O)[O-])C[C@H](C)C1(F)F ZINC000530163220 388618057 /nfs/dbraw/zinc/61/80/57/388618057.db2.gz FFVFPYASEXFROX-AOOOYVTPSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C1CC1 ZINC000298899684 388609932 /nfs/dbraw/zinc/60/99/32/388609932.db2.gz BIXVGNXILIAQIM-ZETCQYMHSA-N 0 1 247.273 2.230 20 0 BEADMN CC1(C[N@H+]2CCc3occc3[C@H]2C(=O)[O-])CCC1 ZINC000530164957 388618181 /nfs/dbraw/zinc/61/81/81/388618181.db2.gz CJVXFHJQAPFBLX-LBPRGKRZSA-N 0 1 249.310 2.454 20 0 BEADMN O=C(c1ccc2cncn2c1)N1C2CCC1CC2 ZINC000550588143 388611323 /nfs/dbraw/zinc/61/13/23/388611323.db2.gz ASLTYKCQYBYPRK-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN CCCCC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165096 388618219 /nfs/dbraw/zinc/61/82/19/388618219.db2.gz DJVBSRGQMGFWKQ-LBPRGKRZSA-N 0 1 237.299 2.454 20 0 BEADMN CCC(F)(F)CNC[C@@H]1CCSC1 ZINC000623678988 388614619 /nfs/dbraw/zinc/61/46/19/388614619.db2.gz DTDWAOOFVHOVSP-QMMMGPOBSA-N 0 1 209.305 2.374 20 0 BEADMN CCCCCN1CC2CC1(c1nc(C)no1)C2 ZINC000528615757 388552714 /nfs/dbraw/zinc/55/27/14/388552714.db2.gz CMKFVCCMCYQZBA-UHFFFAOYSA-N 0 1 235.331 2.489 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)[C@@H]1C ZINC000361344654 388560407 /nfs/dbraw/zinc/56/04/07/388560407.db2.gz FQTYMKQFTYEQMJ-OUAUKWLOSA-N 0 1 227.348 2.447 20 0 BEADMN COC[C@H](N[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000548789578 388563806 /nfs/dbraw/zinc/56/38/06/388563806.db2.gz CTFXEAPMPFFBCF-YPMHNXCESA-N 0 1 239.363 2.050 20 0 BEADMN CCN(C)C(=O)CN(CC)Cc1ccc(C)cc1 ZINC000521221790 388565355 /nfs/dbraw/zinc/56/53/55/388565355.db2.gz WXKGZNJZSAHXFO-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN C[C@@H]1CC(F)(F)CC[N@H+]1CCC(=O)C1CC1 ZINC000528775558 388571426 /nfs/dbraw/zinc/57/14/26/388571426.db2.gz YZZONBFCFXLHPF-SECBINFHSA-N 0 1 231.286 2.475 20 0 BEADMN CCc1nnc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000549339756 388577020 /nfs/dbraw/zinc/57/70/20/388577020.db2.gz MCKOQOBJTIWQFD-BRPSZJMVSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1n[nH]c(S[C@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000549339756 388577023 /nfs/dbraw/zinc/57/70/23/388577023.db2.gz MCKOQOBJTIWQFD-BRPSZJMVSA-N 0 1 241.360 2.415 20 0 BEADMN CC/C=C/CC[N@H+](CCC)CC(=O)N(C)C ZINC000184465575 388577621 /nfs/dbraw/zinc/57/76/21/388577621.db2.gz LFGDZXDQTCRQQT-BQYQJAHWSA-N 0 1 226.364 2.143 20 0 BEADMN CC/C=C/CCN1CCC[C@@H]1C(=O)OCC ZINC000184735779 388581805 /nfs/dbraw/zinc/58/18/05/388581805.db2.gz BUWDRIJCGDYEIF-BTDICHCPSA-N 0 1 225.332 2.370 20 0 BEADMN OCc1ccc(CNCc2ccccc2)o1 ZINC000081546743 388582153 /nfs/dbraw/zinc/58/21/53/388582153.db2.gz KMQLSMYRAWYNNR-UHFFFAOYSA-N 0 1 217.268 2.062 20 0 BEADMN Cc1ccnc(NCCCCCCO)c1 ZINC000224482776 388665230 /nfs/dbraw/zinc/66/52/30/388665230.db2.gz VYDILWWKYWCKAP-UHFFFAOYSA-N 0 1 208.305 2.355 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCO[C@H](C)C1 ZINC000552123242 388670142 /nfs/dbraw/zinc/67/01/42/388670142.db2.gz LKBXAYIUIBLUGT-GHMZBOCLSA-N 0 1 225.357 2.400 20 0 BEADMN CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CC)C1 ZINC000125443806 388671890 /nfs/dbraw/zinc/67/18/90/388671890.db2.gz GPKZKRJMERSBIN-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN OC[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225356944 388678138 /nfs/dbraw/zinc/67/81/38/388678138.db2.gz LIBCUUBOSKOGOH-YUMQZZPRSA-N 0 1 246.763 2.047 20 0 BEADMN CCOC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248410939 388679120 /nfs/dbraw/zinc/67/91/20/388679120.db2.gz DLGDLEOFJHEVJR-QJPTWQEYSA-N 0 1 225.332 2.060 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCC1CC1 ZINC000530166889 388618758 /nfs/dbraw/zinc/61/87/58/388618758.db2.gz SNXBCXROHCFPJQ-LBPRGKRZSA-N 0 1 235.283 2.064 20 0 BEADMN COC[C@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000551089884 388621258 /nfs/dbraw/zinc/62/12/58/388621258.db2.gz VWWUDCGMOAFKNY-UONOGXRCSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530211224 388627578 /nfs/dbraw/zinc/62/75/78/388627578.db2.gz NQDVIOUWMLBSDW-JQWIXIFHSA-N 0 1 239.359 2.465 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nc([C@H](C)OC)no1 ZINC000248572380 388684677 /nfs/dbraw/zinc/68/46/77/388684677.db2.gz MLDQTTHFEXUTRF-GUBZILKMSA-N 0 1 241.335 2.301 20 0 BEADMN Cc1cccc2nc(CNCc3cc[nH]c3)cn21 ZINC000086253476 388684706 /nfs/dbraw/zinc/68/47/06/388684706.db2.gz GIJJFXLMHAYXHV-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN CC(C)OC(=O)[C@@H]1CCCN1CC[C@H](C)F ZINC000551970631 388650847 /nfs/dbraw/zinc/65/08/47/388650847.db2.gz ZPGQNDTVFUTMJZ-QWRGUYRKSA-N 0 1 231.311 2.151 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccncc2)[C@H]1C ZINC000246969701 388656190 /nfs/dbraw/zinc/65/61/90/388656190.db2.gz RTFUXTAVZBZEOC-NEPJUHHUSA-N 0 1 247.342 2.141 20 0 BEADMN Cc1cc(CC(=O)NC[C@H]2CCC[C@@H](C)C2)[nH]n1 ZINC000126054087 388687598 /nfs/dbraw/zinc/68/75/98/388687598.db2.gz UVYMUXFJQZMIDS-PWSUYJOCSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH]n1 ZINC000248640675 388687718 /nfs/dbraw/zinc/68/77/18/388687718.db2.gz ZHDFSWWYEWSCRO-JFGNBEQYSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)[nH]n1 ZINC000248640671 388688911 /nfs/dbraw/zinc/68/89/11/388688911.db2.gz ZHDFSWWYEWSCRO-JBLDHEPKSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@H]1NCC(F)(F)CO ZINC000248712956 388690706 /nfs/dbraw/zinc/69/07/06/388690706.db2.gz JSYDWYSHBFLVBO-HBNTYKKESA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H]1CCC[C@H](NCC(F)(F)CO)[C@H]1C ZINC000248773840 388692788 /nfs/dbraw/zinc/69/27/88/388692788.db2.gz YNVMLOSQRQNITB-UTLUCORTSA-N 0 1 221.291 2.028 20 0 BEADMN CC[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000126295378 388694004 /nfs/dbraw/zinc/69/40/04/388694004.db2.gz FMCYYTPKPDCZMV-UHFFFAOYSA-N 0 1 203.289 2.094 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1ccc2[nH]nnc2c1 ZINC000195148914 388698510 /nfs/dbraw/zinc/69/85/10/388698510.db2.gz LCQXLVKZHOGAGA-SNVBAGLBSA-N 0 1 246.314 2.266 20 0 BEADMN FC[C@@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000552392712 388702552 /nfs/dbraw/zinc/70/25/52/388702552.db2.gz YNZPGXRYAGBWSH-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN FC[C@@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000552392712 388702555 /nfs/dbraw/zinc/70/25/55/388702555.db2.gz YNZPGXRYAGBWSH-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN FC[C@@H]1CCCN1Cc1ccc2[nH]cnc2c1 ZINC000552392712 388702559 /nfs/dbraw/zinc/70/25/59/388702559.db2.gz YNZPGXRYAGBWSH-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN CCC[C@@]1(C)C(=O)NCC[N@H+]1[C@@H]1C=CCCC1 ZINC000248996809 388703690 /nfs/dbraw/zinc/70/36/90/388703690.db2.gz LXNYFQRAQCYDRA-OCCSQVGLSA-N 0 1 236.359 2.086 20 0 BEADMN CCC[C@@]1(C)C(=O)NCCN1[C@@H]1C=CCCC1 ZINC000248996809 388703692 /nfs/dbraw/zinc/70/36/92/388703692.db2.gz LXNYFQRAQCYDRA-OCCSQVGLSA-N 0 1 236.359 2.086 20 0 BEADMN COc1ncccc1CN(C)[C@@H]1CCSC1 ZINC000193452064 388705494 /nfs/dbraw/zinc/70/54/94/388705494.db2.gz MGJBBLJFJSCYRR-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CC23CCCCC3)[nH]1 ZINC000538694708 388706039 /nfs/dbraw/zinc/70/60/39/388706039.db2.gz ZRQIQUCBCGLRIY-SECBINFHSA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CC23CCCCC3)n1 ZINC000538694708 388706041 /nfs/dbraw/zinc/70/60/41/388706041.db2.gz ZRQIQUCBCGLRIY-SECBINFHSA-N 0 1 248.330 2.276 20 0 BEADMN Cc1oncc1CN1CCS[C@@H](C)[C@H]1C ZINC000249093993 388707795 /nfs/dbraw/zinc/70/77/95/388707795.db2.gz FBWAMWBDQCKTAD-SCZZXKLOSA-N 0 1 226.345 2.309 20 0 BEADMN CC(C)[C@H]1C[N@@H+](CC2(F)CC2)CCCO1 ZINC000552444100 388708948 /nfs/dbraw/zinc/70/89/48/388708948.db2.gz RFDSZYBCGOPDOB-LLVKDONJSA-N 0 1 215.312 2.235 20 0 BEADMN CCN(C[C@@H](O)C(F)(F)F)[C@@H]1C=CCCC1 ZINC000249200727 388710803 /nfs/dbraw/zinc/71/08/03/388710803.db2.gz DAZASXVBLXJBFT-NXEZZACHSA-N 0 1 237.265 2.340 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000249293134 388715540 /nfs/dbraw/zinc/71/55/40/388715540.db2.gz ASUHQUXGGIFBCN-GHMZBOCLSA-N 0 1 236.363 2.378 20 0 BEADMN CCN(Cc1nncn1C)[C@H]1CCCC[C@H]1C ZINC000249429508 388721823 /nfs/dbraw/zinc/72/18/23/388721823.db2.gz YUTDSASOEGCKLK-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN COc1ccc(F)c(NC(=O)c2cn[nH]c2C)c1 ZINC000088210024 388722215 /nfs/dbraw/zinc/72/22/15/388722215.db2.gz PSBYSCJBAMOGNP-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN Cc1nc2c(n1CCC[C@@H](C)O)CCCC2 ZINC000127385559 388722761 /nfs/dbraw/zinc/72/27/61/388722761.db2.gz YHRALCBOJZIBIN-SNVBAGLBSA-N 0 1 222.332 2.231 20 0 BEADMN CCc1cc(C(=O)N(C)Cc2ccoc2C)n[nH]1 ZINC000194227640 388726633 /nfs/dbraw/zinc/72/66/33/388726633.db2.gz KBKILDMMTBOBLV-UHFFFAOYSA-N 0 1 247.298 2.146 20 0 BEADMN CC[C@]1(CO)CCCN([C@H](C)c2cnccn2)C1 ZINC000249543335 388726749 /nfs/dbraw/zinc/72/67/49/388726749.db2.gz FNIFUXPPTIXSHD-OCCSQVGLSA-N 0 1 249.358 2.022 20 0 BEADMN Cc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)cc1 ZINC000249606520 388729947 /nfs/dbraw/zinc/72/99/47/388729947.db2.gz ZVYITHLQKYGNDK-JSGCOSHPSA-N 0 1 246.354 2.081 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@H]2C)n1C ZINC000249718202 388731860 /nfs/dbraw/zinc/73/18/60/388731860.db2.gz KJMWPERIOLHSJD-PWSUYJOCSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2nccn2C)o1 ZINC000540407246 388806258 /nfs/dbraw/zinc/80/62/58/388806258.db2.gz OTMFXISEHUJDDP-NSHDSACASA-N 0 1 233.315 2.215 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C[C@H]1C ZINC000648742449 388776288 /nfs/dbraw/zinc/77/62/88/388776288.db2.gz XZIXYPOJKZBLMF-BXUZGUMPSA-N 0 1 235.327 2.249 20 0 BEADMN C[C@@H](NC[C@@H](C)C[C@H](C)O)c1cscn1 ZINC000252787619 388783413 /nfs/dbraw/zinc/78/34/13/388783413.db2.gz CCIDWKYICIATOI-LPEHRKFASA-N 0 1 228.361 2.201 20 0 BEADMN CC(C)c1cc(N[C@@H]2CC[C@@H]2C)nc(N(C)C)n1 ZINC000553707787 388786042 /nfs/dbraw/zinc/78/60/42/388786042.db2.gz HACLOVNRCSJFSH-WDEREUQCSA-N 0 1 248.374 2.298 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1nc(C)cs1 ZINC000068451136 388787061 /nfs/dbraw/zinc/78/70/61/388787061.db2.gz GBOHWKQWRJEENP-VIFPVBQESA-N 0 1 241.360 2.120 20 0 BEADMN CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230141968 388815724 /nfs/dbraw/zinc/81/57/24/388815724.db2.gz DUOZFCOIIDCAJX-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1csc(CN[C@]2(C)CCO[C@@H]2C)n1 ZINC000230155076 388817818 /nfs/dbraw/zinc/81/78/18/388817818.db2.gz CWXRHAXNGXMAIN-MWLCHTKSSA-N 0 1 226.345 2.109 20 0 BEADMN NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C1CC1 ZINC000648764146 388846441 /nfs/dbraw/zinc/84/64/41/388846441.db2.gz LVWVZLJRIBRPEH-CQSZACIVSA-N 0 1 244.338 2.014 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCCF)C[C@H]1C(=O)[O-] ZINC000564964921 388903168 /nfs/dbraw/zinc/90/31/68/388903168.db2.gz FPFAPWWEOBSIAT-WDEREUQCSA-N 0 1 231.311 2.169 20 0 BEADMN CCCCOCCN1CCOC[C@@H]1C1CCC1 ZINC000564927989 388898331 /nfs/dbraw/zinc/89/83/31/388898331.db2.gz DISOQPJMYUUSSG-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CC[C@@H](NC(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000564539196 388877134 /nfs/dbraw/zinc/87/71/34/388877134.db2.gz YXGQNYBNVLQUBF-CYBMUJFWSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(F)cc1C ZINC000070212071 388877939 /nfs/dbraw/zinc/87/79/39/388877939.db2.gz INJRKIHNWKRCGK-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CCOC(=O)CN1CCC2(C1)CCCCC2 ZINC000129953708 388878063 /nfs/dbraw/zinc/87/80/63/388878063.db2.gz GKOXNAXBGONIJS-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@@H]1CC1(C)C ZINC000565107587 388915069 /nfs/dbraw/zinc/91/50/69/388915069.db2.gz QISNAYSNGIKNBH-SNVBAGLBSA-N 0 1 223.272 2.208 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000565107581 388915203 /nfs/dbraw/zinc/91/52/03/388915203.db2.gz QCTBNILDLYVLRQ-LLVKDONJSA-N 0 1 234.299 2.010 20 0 BEADMN Cc1ccncc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000565110195 388915956 /nfs/dbraw/zinc/91/59/56/388915956.db2.gz BPECBFLFKTUKRS-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@]1(C)C(=O)[O-] ZINC000565111392 388916055 /nfs/dbraw/zinc/91/60/55/388916055.db2.gz KCYSPFSYTTWXHQ-MFKMUULPSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC12CCCC2 ZINC000565190027 388922641 /nfs/dbraw/zinc/92/26/41/388922641.db2.gz JTVLLTWJJYMQSL-JQWIXIFHSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC12CCCC2 ZINC000565190029 388923034 /nfs/dbraw/zinc/92/30/34/388923034.db2.gz JTVLLTWJJYMQSL-ZYHUDNBSSA-N 0 1 247.342 2.037 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565191918 388923739 /nfs/dbraw/zinc/92/37/39/388923739.db2.gz LNALSHXVVRKKPE-GMXVVIOVSA-N 0 1 249.358 2.378 20 0 BEADMN CC(C)N(Cc1cn(CC2CC2)nn1)CC1CC1 ZINC000565639144 388960085 /nfs/dbraw/zinc/96/00/85/388960085.db2.gz LEHJEGGRCYDUNF-UHFFFAOYSA-N 0 1 248.374 2.309 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)CN(CC)C1CC1 ZINC000153328802 388963670 /nfs/dbraw/zinc/96/36/70/388963670.db2.gz DSWDSZKETXTWRT-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000565430587 388945124 /nfs/dbraw/zinc/94/51/24/388945124.db2.gz DKADRTOWESRTLR-MNOVXSKESA-N 0 1 233.315 2.020 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000565434095 388945151 /nfs/dbraw/zinc/94/51/51/388945151.db2.gz SVSZOBQJUSYBQL-DMDPSCGWSA-N 0 1 249.358 2.283 20 0 BEADMN CCN(CC(=O)N1C[C@H](C)CC[C@@H]1C)C1CC1 ZINC000153182159 388947332 /nfs/dbraw/zinc/94/73/32/388947332.db2.gz YSJYYKRVFGXIIT-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(F)cc(OC)c1 ZINC000565579199 388956072 /nfs/dbraw/zinc/95/60/72/388956072.db2.gz WZRHJCKYUSJJBT-QWHCGFSZSA-N 0 1 239.290 2.101 20 0 BEADMN CC(=O)c1cc(CN(C)[C@@H](C)C2CC2)on1 ZINC000565841590 388973020 /nfs/dbraw/zinc/97/30/20/388973020.db2.gz FVFVLPFJPMGBAJ-QMMMGPOBSA-N 0 1 222.288 2.108 20 0 BEADMN CC[C@]1(C)CN(CCc2cccc(C)n2)CCO1 ZINC000565888910 388976294 /nfs/dbraw/zinc/97/62/94/388976294.db2.gz CVYKOHAOJSXLDD-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN CCOC(=O)c1ccc(CN2[C@H](C)C[C@H]2C)nc1 ZINC000565933130 388979308 /nfs/dbraw/zinc/97/93/08/388979308.db2.gz GFRQMCQELBVZQM-GHMZBOCLSA-N 0 1 248.326 2.241 20 0 BEADMN CCN(CC(=O)N(C)[C@@H](C)C1(C)CC1)C1CC1 ZINC000153484380 388979450 /nfs/dbraw/zinc/97/94/50/388979450.db2.gz VYPIOAAUUXKLDX-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccoc1CNCCC(=O)OC(C)(C)C ZINC000266189829 388995007 /nfs/dbraw/zinc/99/50/07/388995007.db2.gz YCFXFKUHTVEWDR-UHFFFAOYSA-N 0 1 239.315 2.409 20 0 BEADMN CO[C@H](C)c1nc(CNCC2CC2)cs1 ZINC000267636147 389000769 /nfs/dbraw/zinc/00/07/69/389000769.db2.gz PIFQWVWZRKOUDN-MRVPVSSYSA-N 0 1 226.345 2.350 20 0 BEADMN C[C@@H]1C[C@H](NCc2cnnn2C)c2ccccc21 ZINC000267532226 389001195 /nfs/dbraw/zinc/00/11/95/389001195.db2.gz SYLWYHKOPFWQTA-YGRLFVJLSA-N 0 1 242.326 2.153 20 0 BEADMN CCC1(C(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC000153428189 388971286 /nfs/dbraw/zinc/97/12/86/388971286.db2.gz CHBQPMXAWCPBRM-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CC(C)[C@@H](O)C1(CNCc2cscn2)CC1 ZINC000271956460 389028385 /nfs/dbraw/zinc/02/83/85/389028385.db2.gz FBTNTRCWWDYJAS-LLVKDONJSA-N 0 1 240.372 2.030 20 0 BEADMN C[C@H](NCc1ccnc(Cl)c1)c1cn[nH]c1 ZINC000275248871 389054237 /nfs/dbraw/zinc/05/42/37/389054237.db2.gz YFYXIPVYOIBNPW-QMMMGPOBSA-N 0 1 236.706 2.309 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@@H]2CCCO2)s1 ZINC000273307575 389039966 /nfs/dbraw/zinc/03/99/66/389039966.db2.gz OJGQHVLDEHFBLL-JTQLQIEISA-N 0 1 240.372 2.455 20 0 BEADMN CCSCCNCc1nccn1C(F)F ZINC000273837823 389044283 /nfs/dbraw/zinc/04/42/83/389044283.db2.gz ZFABYNPMAPKOGM-UHFFFAOYSA-N 0 1 235.303 2.121 20 0 BEADMN COCCCCC(=O)Nc1ccc2cncn2c1 ZINC001645631622 1172680822 /nfs/dbraw/zinc/68/08/22/1172680822.db2.gz DGSXGQNAFFAFKV-UHFFFAOYSA-N 0 1 247.298 2.090 20 0 BEADMN CC(F)(F)CC(=O)Nc1ccc2cncn2c1 ZINC001645631554 1172680835 /nfs/dbraw/zinc/68/08/35/1172680835.db2.gz AYAGMHPMVTWQOF-UHFFFAOYSA-N 0 1 239.225 2.318 20 0 BEADMN C[C@@H](N[C@H]1CCOC[C@H]1C)C(C)(F)F ZINC000307548409 533547141 /nfs/dbraw/zinc/54/71/41/533547141.db2.gz OBJYNYRFYIKZTA-HLTSFMKQSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nnc3n2CCCCC3)[C@H]1C ZINC000494890247 533656520 /nfs/dbraw/zinc/65/65/20/533656520.db2.gz FIXMAXGAPBMSLB-GRYCIOLGSA-N 0 1 248.374 2.139 20 0 BEADMN Clc1cnccc1CN[C@@H]1CCCOC1 ZINC000084085027 322832493 /nfs/dbraw/zinc/83/24/93/322832493.db2.gz IFIWUKXCTGGPFX-SNVBAGLBSA-N 0 1 226.707 2.004 20 0 BEADMN CCC1(C)CCN(c2ncnc3[nH]cnc32)CC1 ZINC000263726163 132177444 /nfs/dbraw/zinc/17/74/44/132177444.db2.gz PCOVFQXMGYASOE-UHFFFAOYSA-N 0 1 245.330 2.369 20 0 BEADMN Cc1nc(CN2CCSc3ccccc32)n[nH]1 ZINC000292003797 132218510 /nfs/dbraw/zinc/21/85/10/132218510.db2.gz CCSCPRCNOBJMGJ-UHFFFAOYSA-N 0 1 246.339 2.225 20 0 BEADMN Cc1nc(CN2CCCc3cc(C)ccc32)n[nH]1 ZINC000292110644 132218798 /nfs/dbraw/zinc/21/87/98/132218798.db2.gz DAENVGJFJGXXKE-UHFFFAOYSA-N 0 1 242.326 2.374 20 0 BEADMN Fc1cccnc1N1CCN(CCC2CC2)CC1 ZINC000341803759 132226906 /nfs/dbraw/zinc/22/69/06/132226906.db2.gz AYORHZNWXWFYEH-UHFFFAOYSA-N 0 1 249.333 2.143 20 0 BEADMN Fc1cccnc1N1CCN(C2CCCC2)CC1 ZINC000301559594 132254962 /nfs/dbraw/zinc/25/49/62/132254962.db2.gz ILIQMDHNZBGVEV-UHFFFAOYSA-N 0 1 249.333 2.285 20 0 BEADMN CC(C)c1cc(N2CCN(C)[C@@H](C)[C@@H]2C)ncn1 ZINC000356794632 132271999 /nfs/dbraw/zinc/27/19/99/132271999.db2.gz MXLZDCPSDZMGSX-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN C[C@@H]1C[C@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000019845163 132327538 /nfs/dbraw/zinc/32/75/38/132327538.db2.gz DLLNINFYCVXZMI-AOOOYVTPSA-N 0 1 234.299 2.262 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)c2cc[nH]c2)c1 ZINC000334211860 133587428 /nfs/dbraw/zinc/58/74/28/133587428.db2.gz ZKTBIIAVDDEWHD-UHFFFAOYSA-N 0 1 244.250 2.175 20 0 BEADMN O=C(N[C@@H]1CC[C@H](F)C1)c1cccc2nc[nH]c21 ZINC000334228267 133595253 /nfs/dbraw/zinc/59/52/53/133595253.db2.gz ODUQLRXNVFSGJR-DTWKUNHWSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CC2(C)C)nn1 ZINC000335269717 133824906 /nfs/dbraw/zinc/82/49/06/133824906.db2.gz OTHCPGQYKSVASQ-LLVKDONJSA-N 0 1 205.305 2.015 20 0 BEADMN c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1 ZINC000335413953 133860192 /nfs/dbraw/zinc/86/01/92/133860192.db2.gz AFQQJMCDEKTXMD-CQSZACIVSA-N 0 1 249.379 2.395 20 0 BEADMN C[C@@H]1CN(CCC(C)(C)C)C[C@@H](C)S1=O ZINC000335934998 134012261 /nfs/dbraw/zinc/01/22/61/134012261.db2.gz WRHFELVXYKCYEJ-GHMZBOCLSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@@](C)(F)C2)n1 ZINC000335947642 134021077 /nfs/dbraw/zinc/02/10/77/134021077.db2.gz NLRVPVXKCZFFRI-GFCCVEGCSA-N 0 1 224.279 2.030 20 0 BEADMN Cc1nnc(CN2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000335951348 134021583 /nfs/dbraw/zinc/02/15/83/134021583.db2.gz PYCQPOIWLFUABV-GHMZBOCLSA-N 0 1 237.372 2.469 20 0 BEADMN C[C@H](c1nncn1C)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335959055 134023888 /nfs/dbraw/zinc/02/38/88/134023888.db2.gz GZDYFZBHAGNWHV-WDEREUQCSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@H](c1nncn1C)N1C[C@@H](C)CC(C)(C)C1 ZINC000335959055 134023889 /nfs/dbraw/zinc/02/38/89/134023889.db2.gz GZDYFZBHAGNWHV-WDEREUQCSA-N 0 1 236.363 2.244 20 0 BEADMN CC(C)CC(C)(C)C(=O)N1CCCN(C)CC1 ZINC000335960969 134026898 /nfs/dbraw/zinc/02/68/98/134026898.db2.gz ADIJVVSJBCUYCU-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN COc1ccc2c(c1)CCN([C@@H](C)C(N)=O)CC2 ZINC000335971358 134029815 /nfs/dbraw/zinc/02/98/15/134029815.db2.gz GHVNRIIEHLFGFF-JTQLQIEISA-N 0 1 248.326 2.020 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352016790 134036483 /nfs/dbraw/zinc/03/64/83/134036483.db2.gz ZROXHADAACPEOQ-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN O[C@@H]([C@H]1CCC[N@H+]1CCCCF)C(F)(F)F ZINC000352024465 134040680 /nfs/dbraw/zinc/04/06/80/134040680.db2.gz GYLITQMEEXCFQT-BDAKNGLRSA-N 0 1 243.244 2.124 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000335994234 134041525 /nfs/dbraw/zinc/04/15/25/134041525.db2.gz IXMDDJQFFIHDTO-SNVBAGLBSA-N 0 1 235.331 2.226 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2(C)CC2)[C@@H](C)C1 ZINC000335995864 134042186 /nfs/dbraw/zinc/04/21/86/134042186.db2.gz BQAKMUULLHBRTO-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000336012109 134051705 /nfs/dbraw/zinc/05/17/05/134051705.db2.gz NPOFKJCFKDAVKD-ZDUSSCGKSA-N 0 1 231.343 2.483 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000336012109 134051706 /nfs/dbraw/zinc/05/17/06/134051706.db2.gz NPOFKJCFKDAVKD-ZDUSSCGKSA-N 0 1 231.343 2.483 20 0 BEADMN Cc1c[nH]nc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000336012109 134051708 /nfs/dbraw/zinc/05/17/08/134051708.db2.gz NPOFKJCFKDAVKD-ZDUSSCGKSA-N 0 1 231.343 2.483 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H](C(C)C)C2)[nH]1 ZINC000336061387 134068964 /nfs/dbraw/zinc/06/89/64/134068964.db2.gz PSCVKOUVRDGOKZ-NSHDSACASA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H]1CN(Cc2n[nH]c(C(C)(C)C)n2)C[C@H]1C ZINC000336137289 134096471 /nfs/dbraw/zinc/09/64/71/134096471.db2.gz IAIMUQWOJCPDEA-NXEZZACHSA-N 0 1 236.363 2.190 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)C[C@@H]2C)n1C1CC1 ZINC000336141973 134100617 /nfs/dbraw/zinc/10/06/17/134100617.db2.gz JQSQEFBBXFCNDV-UWVGGRQHSA-N 0 1 234.347 2.152 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1c(O)cccc1F ZINC000336157898 134106847 /nfs/dbraw/zinc/10/68/47/134106847.db2.gz IEGYWYVFRSLMAA-HTQZYQBOSA-N 0 1 223.247 2.154 20 0 BEADMN C[C@H]1CCN(Cc2cnns2)C[C@@H](C)C1 ZINC000336193218 134124068 /nfs/dbraw/zinc/12/40/68/134124068.db2.gz KJOCIFXIAFMZOS-UWVGGRQHSA-N 0 1 225.361 2.406 20 0 BEADMN Cc1cc(CN2CCCC3(CC3)C2)nn1C ZINC000352268104 134129035 /nfs/dbraw/zinc/12/90/35/134129035.db2.gz YBLZDXPODPQENX-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN OC[C@H]1C[C@@H](F)CN1Cc1cccc2ccoc21 ZINC000336213370 134135497 /nfs/dbraw/zinc/13/54/97/134135497.db2.gz PAYQNNSTACMIQA-CHWSQXEVSA-N 0 1 249.285 2.338 20 0 BEADMN C[C@]1(F)CCCN(CC2=CCCOC2)C1 ZINC000336215273 134136318 /nfs/dbraw/zinc/13/63/18/134136318.db2.gz FQMAMUSFADJUOP-LBPRGKRZSA-N 0 1 213.296 2.157 20 0 BEADMN Cc1cnc(CNC2CC(C)(F)C2)s1 ZINC000336215547 134136848 /nfs/dbraw/zinc/13/68/48/134136848.db2.gz WQMSEQILGAVIAL-UHFFFAOYSA-N 0 1 214.309 2.432 20 0 BEADMN Cc1cnccc1CN[C@@H]1CCC[C@@H]1F ZINC000336219093 134138472 /nfs/dbraw/zinc/13/84/72/134138472.db2.gz ILLPURNFJQMXRY-NWDGAFQWSA-N 0 1 208.280 2.370 20 0 BEADMN Cc1occc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176727992 134292530 /nfs/dbraw/zinc/29/25/30/134292530.db2.gz LMRMGXUIPFFLGH-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cn1cccc1C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177524255 134298627 /nfs/dbraw/zinc/29/86/27/134298627.db2.gz ARSLNBSUPZKHTI-BETUJISGSA-N 0 1 246.354 2.330 20 0 BEADMN CSCCN(C)Cc1cnn(C(C)C)c1 ZINC000179786631 134323745 /nfs/dbraw/zinc/32/37/45/134323745.db2.gz NYSLSNBQQJUPBX-UHFFFAOYSA-N 0 1 227.377 2.259 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000180699333 134331042 /nfs/dbraw/zinc/33/10/42/134331042.db2.gz UFPCIILBJPWCBA-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1cnc(CN(C)CC2CCOCC2)s1 ZINC000180852159 134331804 /nfs/dbraw/zinc/33/18/04/134331804.db2.gz JVLQKPATOLVDCY-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@H](NCc1cncc(C)c1)c1cnn(C)c1 ZINC000181843312 134340176 /nfs/dbraw/zinc/34/01/76/134340176.db2.gz SQRPXIBGJGURBW-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CO[C@H](C)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000182232409 134343670 /nfs/dbraw/zinc/34/36/70/134343670.db2.gz AALQKZMGSOSYPH-UKRRQHHQSA-N 0 1 249.354 2.269 20 0 BEADMN CC1(C)CC[C@H](CN2CCOC(C)(C)C2)O1 ZINC000184650962 134367514 /nfs/dbraw/zinc/36/75/14/134367514.db2.gz ZXDGDTYUCBTKPS-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000184677704 134367970 /nfs/dbraw/zinc/36/79/70/134367970.db2.gz AQLXTMVOOXCQCF-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2CCOC2)o1 ZINC000227016787 134373566 /nfs/dbraw/zinc/37/35/66/134373566.db2.gz WLKAOHZWLDPVAF-GARJFASQSA-N 0 1 224.304 2.059 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2CCOC2)o1 ZINC000227016805 134373729 /nfs/dbraw/zinc/37/37/29/134373729.db2.gz WLKAOHZWLDPVAF-OUAUKWLOSA-N 0 1 224.304 2.059 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NCC1CCC1 ZINC000185589739 134382018 /nfs/dbraw/zinc/38/20/18/134382018.db2.gz KGPIPKSQWVDUAX-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nccs2)C1(C)C ZINC000227826147 134390172 /nfs/dbraw/zinc/39/01/72/134390172.db2.gz QBNYXPJTBBIESC-DTWKUNHWSA-N 0 1 226.345 2.046 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2cscn2)C1(C)C ZINC000227829515 134390204 /nfs/dbraw/zinc/39/02/04/134390204.db2.gz YWSZJRSVZCBOOM-NXEZZACHSA-N 0 1 226.345 2.046 20 0 BEADMN O[C@@H](CN1CC2(C1)CCCCC2)C(F)(F)F ZINC000231203349 134539712 /nfs/dbraw/zinc/53/97/12/134539712.db2.gz UFCHVNMWBGZLOR-VIFPVBQESA-N 0 1 237.265 2.176 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CCCOC2)n1 ZINC000070732743 135010392 /nfs/dbraw/zinc/01/03/92/135010392.db2.gz MRAXEACPKZVDQT-VHSXEESVSA-N 0 1 226.345 2.281 20 0 BEADMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC=C(C)C ZINC000248788270 135021345 /nfs/dbraw/zinc/02/13/45/135021345.db2.gz CZARRJQKIDTCRS-AVGNSLFASA-N 0 1 237.343 2.226 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1CCC[C@@H](C)CC1 ZINC000248845088 135023478 /nfs/dbraw/zinc/02/34/78/135023478.db2.gz MWONFCHPTGVXDM-GHMZBOCLSA-N 0 1 249.362 2.191 20 0 BEADMN C[C@@H](CC(F)(F)F)Nc1ncnc2[nH]cnc21 ZINC000231749736 135024455 /nfs/dbraw/zinc/02/44/55/135024455.db2.gz RSWMRHLHXOPSQK-YFKPBYRVSA-N 0 1 245.208 2.106 20 0 BEADMN C[C@@H]1CCN(Cc2nc3ccccc3o2)[C@H]1CO ZINC000248992523 135029737 /nfs/dbraw/zinc/02/97/37/135029737.db2.gz XIKGCXNUZZQQKO-PWSUYJOCSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@H]1CCCO1 ZINC000249816944 135046279 /nfs/dbraw/zinc/04/62/79/135046279.db2.gz CMHPLRVWJPEHLM-WDEREUQCSA-N 0 1 209.289 2.451 20 0 BEADMN O=C([C@@H]1CC=CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000250206004 135050334 /nfs/dbraw/zinc/05/03/34/135050334.db2.gz QWWKOBYROVRFBT-ZIAGYGMSSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(CCNCc1ccco1)Nc1ccccc1 ZINC000077169468 135057888 /nfs/dbraw/zinc/05/78/88/135057888.db2.gz RPZBOKITXARXFD-UHFFFAOYSA-N 0 1 244.294 2.398 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC000077492573 135068756 /nfs/dbraw/zinc/06/87/56/135068756.db2.gz UJYCUECDXWODQX-GXSJLCMTSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000078046712 135091239 /nfs/dbraw/zinc/09/12/39/135091239.db2.gz ZXLTVKLMGBIWNV-BETUJISGSA-N 0 1 248.370 2.362 20 0 BEADMN Cc1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000086856879 135098502 /nfs/dbraw/zinc/09/85/02/135098502.db2.gz LTACFEYFWFGBIW-SECBINFHSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nc(CN[C@@H]2CS[C@@H](C)C2)cs1 ZINC000086935503 135103949 /nfs/dbraw/zinc/10/39/49/135103949.db2.gz QQYNADNONKIZII-CBAPKCEASA-N 0 1 228.386 2.435 20 0 BEADMN CCC[C@@H](Nc1cccc(C)[nH+]1)C(=O)[O-] ZINC000261668862 135111378 /nfs/dbraw/zinc/11/13/78/135111378.db2.gz HOHMSSLPDFRFBL-SECBINFHSA-N 0 1 208.261 2.055 20 0 BEADMN Cc1cc(CNCc2cscc2C)n(C)n1 ZINC000087310807 135123269 /nfs/dbraw/zinc/12/32/69/135123269.db2.gz OITPFOKEWOTKGB-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN CCC[N@@H+](Cc1cccnc1)CC(C)(C)O ZINC000266002760 135146939 /nfs/dbraw/zinc/14/69/39/135146939.db2.gz JQFDHUJKYKNEKR-UHFFFAOYSA-N 0 1 222.332 2.065 20 0 BEADMN CCOC(=O)CN(CC(C)C)C1CCC1 ZINC000261126493 135149208 /nfs/dbraw/zinc/14/92/08/135149208.db2.gz KULOUJYJDQWQKR-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000261527246 135150847 /nfs/dbraw/zinc/15/08/47/135150847.db2.gz CYWSAQJJTNZIHU-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)C(C[N@@H+](C)[C@@H](C)C(=O)[O-])C(C)C ZINC000261529848 135157054 /nfs/dbraw/zinc/15/70/54/135157054.db2.gz BNZVBWCOASTHBD-JTQLQIEISA-N 0 1 215.337 2.320 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccsc1 ZINC000261531906 135162141 /nfs/dbraw/zinc/16/21/41/135162141.db2.gz IHYYRFJOAMMDOR-SCZZXKLOSA-N 0 1 225.313 2.358 20 0 BEADMN CCC[C@@H](Nc1cc(C)[nH+]c(CC)n1)C(=O)[O-] ZINC000261544380 135185648 /nfs/dbraw/zinc/18/56/48/135185648.db2.gz DWCWMJHIXVVYRJ-SECBINFHSA-N 0 1 237.303 2.013 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1sc(C)nc1C ZINC000084149084 135187642 /nfs/dbraw/zinc/18/76/42/135187642.db2.gz HYLKIYAHLYVDNF-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN NC1(c2noc(-c3ccsc3)n2)CCC1 ZINC000261573403 135216131 /nfs/dbraw/zinc/21/61/31/135216131.db2.gz IUBHSCKZWGPMHI-UHFFFAOYSA-N 0 1 221.285 2.136 20 0 BEADMN CC(C)[C@H](C)c1nc(C2(N)CCC2)no1 ZINC000261597495 135236948 /nfs/dbraw/zinc/23/69/48/135236948.db2.gz ZCWGIWZXXABEGM-QMMMGPOBSA-N 0 1 209.293 2.167 20 0 BEADMN CCC1(c2nc(C3(N)CCC3)no2)CCC1 ZINC000261646251 135242322 /nfs/dbraw/zinc/24/23/22/135242322.db2.gz ARHJPSIUYDANOG-UHFFFAOYSA-N 0 1 221.304 2.239 20 0 BEADMN C[C@H](N)c1nc(-c2cscn2)cs1 ZINC000084392193 135244868 /nfs/dbraw/zinc/24/48/68/135244868.db2.gz MQWGLROVRRZPRN-YFKPBYRVSA-N 0 1 211.315 2.286 20 0 BEADMN CCC[C@H](Nc1cccc(C)[nH+]1)C(=O)[O-] ZINC000261668864 135245232 /nfs/dbraw/zinc/24/52/32/135245232.db2.gz HOHMSSLPDFRFBL-VIFPVBQESA-N 0 1 208.261 2.055 20 0 BEADMN c1cncc([C@H]2CNCC[N@H+]2CC2CCCC2)c1 ZINC000261856492 135257595 /nfs/dbraw/zinc/25/75/95/135257595.db2.gz VZMVWAHSYPYDJS-OAHLLOKOSA-N 0 1 245.370 2.218 20 0 BEADMN NC1(c2noc(CCc3ccsc3)n2)CCC1 ZINC000261888112 135259682 /nfs/dbraw/zinc/25/96/82/135259682.db2.gz XDTRVQSJLHEYPR-UHFFFAOYSA-N 0 1 249.339 2.254 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000342403867 135271870 /nfs/dbraw/zinc/27/18/70/135271870.db2.gz VBPGRICOUWALSX-MNOVXSKESA-N 0 1 249.358 2.477 20 0 BEADMN CC(C)(C)/C=C/c1nc(C2(N)CCC2)no1 ZINC000262027983 135273767 /nfs/dbraw/zinc/27/37/67/135273767.db2.gz WUAGAQUPQVCJMC-VMPITWQZSA-N 0 1 221.304 2.467 20 0 BEADMN O=C([O-])CCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000262136989 135281608 /nfs/dbraw/zinc/28/16/08/135281608.db2.gz OKHJDFCBMLJLKI-UHFFFAOYSA-N 0 1 237.274 2.049 20 0 BEADMN Cc1cccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262175313 135283784 /nfs/dbraw/zinc/28/37/84/135283784.db2.gz DAASLTXMFOCOAL-LLVKDONJSA-N 0 1 233.311 2.433 20 0 BEADMN Cc1ccccc1C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000262176919 135284073 /nfs/dbraw/zinc/28/40/73/135284073.db2.gz DFCZNCNILJCQFO-NSHDSACASA-N 0 1 233.311 2.433 20 0 BEADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000262181927 135284730 /nfs/dbraw/zinc/28/47/30/135284730.db2.gz DVWUOHAAONGAEK-VXGBXAGGSA-N 0 1 233.311 2.257 20 0 BEADMN CCC(=O)N1CCNC[C@H]1c1ccc(CC)cc1 ZINC000262234125 135285975 /nfs/dbraw/zinc/28/59/75/135285975.db2.gz OHEIGSMAQSKLAW-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCc1ccccc1)C1CC1 ZINC000262262728 135288373 /nfs/dbraw/zinc/28/83/73/135288373.db2.gz RKGJKVHZVNPPHN-LLVKDONJSA-N 0 1 233.311 2.167 20 0 BEADMN CC[C@H]1CCC[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262741217 135316127 /nfs/dbraw/zinc/31/61/27/135316127.db2.gz AIQYWEUYOGVKBD-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN CCN(Cc1ncc(C)n1C)C1CCC1 ZINC000342779226 135317254 /nfs/dbraw/zinc/31/72/54/135317254.db2.gz BGTRVIIVRGCZRQ-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN CC(C)CCOCCN1CCOC(C)(C)C1 ZINC000079389978 135318822 /nfs/dbraw/zinc/31/88/22/135318822.db2.gz HAKSETGJLSZQKZ-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN CCCCN(CC)Cc1ncc(C)n1C ZINC000342788751 135318914 /nfs/dbraw/zinc/31/89/14/135318914.db2.gz KMKWZGXUQLYECS-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC[C@@H]2C)n1C ZINC000342795030 135319474 /nfs/dbraw/zinc/31/94/74/135319474.db2.gz VPXWDRQAILTELV-MNOVXSKESA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)CC2)n1C ZINC000342797922 135320901 /nfs/dbraw/zinc/32/09/01/135320901.db2.gz RLZWBBCUJXUOJH-NSHDSACASA-N 0 1 221.348 2.351 20 0 BEADMN O=C(c1ccc2cncn2c1)N1CCC=C(F)C1 ZINC000334164351 135321604 /nfs/dbraw/zinc/32/16/04/135321604.db2.gz ACSAELJDLRSVDU-UHFFFAOYSA-N 0 1 245.257 2.034 20 0 BEADMN Cc1ccc(C2CCN([C@@H](C)C(N)=O)CC2)cn1 ZINC000334168528 135324684 /nfs/dbraw/zinc/32/46/84/135324684.db2.gz AVOZCFXCRFEULZ-NSHDSACASA-N 0 1 247.342 2.493 20 0 BEADMN CCN(CCC1CC1)Cc1ncc(C)n1C ZINC000342767865 135326596 /nfs/dbraw/zinc/32/65/96/135326596.db2.gz GXVYWOWXTFYGTK-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN2CCCC(C)(C)C2)n1C ZINC000342770691 135326660 /nfs/dbraw/zinc/32/66/60/135326660.db2.gz YSJOZAWMWPSGCN-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]3CCC[C@H]32)n1C ZINC000342776104 135327014 /nfs/dbraw/zinc/32/70/14/135327014.db2.gz GCKPZVUARVGEJL-QWHCGFSZSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@@H]2C)n1C ZINC000342775392 135327184 /nfs/dbraw/zinc/32/71/84/135327184.db2.gz FNRLIIGGNULFQH-JQWIXIFHSA-N 0 1 221.348 2.349 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC(C)(C)C)C1 ZINC000263054425 135329541 /nfs/dbraw/zinc/32/95/41/135329541.db2.gz LHTUUNWHXXINNE-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC(C)(C)C)C1 ZINC000263053337 135329924 /nfs/dbraw/zinc/32/99/24/135329924.db2.gz LHTUUNWHXXINNE-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 ZINC000334226342 135330665 /nfs/dbraw/zinc/33/06/65/135330665.db2.gz FHVHUIAVVONRNR-MFKMUULPSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccccc2)C1 ZINC000263150853 135335623 /nfs/dbraw/zinc/33/56/23/135335623.db2.gz FHWGBVPGBQSBPW-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN CCc1nnc(NC(=O)C(C)(C)C(C)(C)C)[nH]1 ZINC000342992693 135342617 /nfs/dbraw/zinc/34/26/17/135342617.db2.gz GYVVTQJWSDXJDO-UHFFFAOYSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)(C)C(C)(C)C)n1 ZINC000342992693 135342619 /nfs/dbraw/zinc/34/26/19/135342619.db2.gz GYVVTQJWSDXJDO-UHFFFAOYSA-N 0 1 238.335 2.378 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263313139 135345751 /nfs/dbraw/zinc/34/57/51/135345751.db2.gz GYFOTNFGHNLPQP-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000263349259 135347943 /nfs/dbraw/zinc/34/79/43/135347943.db2.gz OYJHKZBYUJIRCT-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000263353038 135348640 /nfs/dbraw/zinc/34/86/40/135348640.db2.gz QKAACUDLNCLOBS-NWDGAFQWSA-N 0 1 223.316 2.282 20 0 BEADMN CC[C@H](C)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263360642 135349128 /nfs/dbraw/zinc/34/91/28/135349128.db2.gz RWIOMELHWYEIDS-GARJFASQSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@@H+](C)CCC(=O)[O-] ZINC000263353829 135349174 /nfs/dbraw/zinc/34/91/74/135349174.db2.gz QVEBKFTXOLMWST-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263360641 135349243 /nfs/dbraw/zinc/34/92/43/135349243.db2.gz RWIOMELHWYEIDS-DCAQKATOSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000263383026 135350439 /nfs/dbraw/zinc/35/04/39/135350439.db2.gz CGVKJEPNAUMWNF-WXHSDQCUSA-N 0 1 233.311 2.195 20 0 BEADMN CCN1C[C@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000334310340 135351060 /nfs/dbraw/zinc/35/10/60/135351060.db2.gz JBSUAPOEXASMFG-STQMWFEESA-N 0 1 246.354 2.241 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263427579 135353517 /nfs/dbraw/zinc/35/35/17/135353517.db2.gz RAWJYOSZHCSXQS-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN C[N@H+]1CCC[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC000334337822 135357095 /nfs/dbraw/zinc/35/70/95/135357095.db2.gz WVOYTKHBQOAANH-HNNXBMFYSA-N 0 1 248.370 2.041 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000263579905 135361300 /nfs/dbraw/zinc/36/13/00/135361300.db2.gz VIQQVEXYWDIIPG-NSHDSACASA-N 0 1 245.322 2.397 20 0 BEADMN FC(F)(F)[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000334348518 135366989 /nfs/dbraw/zinc/36/69/89/135366989.db2.gz YWYNCEXOGINWBQ-IUCAKERBSA-N 0 1 223.238 2.050 20 0 BEADMN CC(C)n1nccc1CN1[C@H](C)C[C@H]1C ZINC000334348327 135368191 /nfs/dbraw/zinc/36/81/91/135368191.db2.gz YOOYNXKOPFLADK-GHMZBOCLSA-N 0 1 207.321 2.447 20 0 BEADMN Cc1nccc(CN2CCS[C@H](C)CC2)n1 ZINC000334363392 135373193 /nfs/dbraw/zinc/37/31/93/135373193.db2.gz FBXRMRMRGIRUFW-SNVBAGLBSA-N 0 1 237.372 2.112 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000299902333 135381424 /nfs/dbraw/zinc/38/14/24/135381424.db2.gz GFJFBYBTBVQZOR-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000334394897 135387366 /nfs/dbraw/zinc/38/73/66/135387366.db2.gz VQPHWFXFMDDYOX-BDAKNGLRSA-N 0 1 233.315 2.158 20 0 BEADMN Cc1cc(NS(=O)(=O)c2ccccc2)ccn1 ZINC000074932113 135390273 /nfs/dbraw/zinc/39/02/73/135390273.db2.gz ADFXGGCVSOIKFG-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN C[C@@H]1c2ccccc2CN1C(=O)c1ccn[nH]1 ZINC000334410706 135392665 /nfs/dbraw/zinc/39/26/65/135392665.db2.gz KRDBSKBTTZICDU-SECBINFHSA-N 0 1 227.267 2.127 20 0 BEADMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccn1 ZINC000334405935 135394401 /nfs/dbraw/zinc/39/44/01/135394401.db2.gz HOJPAJTUFDPULV-QWRGUYRKSA-N 0 1 242.326 2.013 20 0 BEADMN CC[N@@H+]1C[C@@H](C)N(C(=O)CC2CCC2)[C@@H](C)C1 ZINC000334411637 135395595 /nfs/dbraw/zinc/39/55/95/135395595.db2.gz LFJCVSSUZASZFM-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2CCC2)[C@@H](C)C1 ZINC000334411637 135395597 /nfs/dbraw/zinc/39/55/97/135395597.db2.gz LFJCVSSUZASZFM-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000334399306 135399762 /nfs/dbraw/zinc/39/97/62/135399762.db2.gz DTUJTPCGNSILJK-DZGCQCFKSA-N 0 1 246.354 2.335 20 0 BEADMN CCOCCN[C@@H](CC)c1nccs1 ZINC000080279774 135402283 /nfs/dbraw/zinc/40/22/83/135402283.db2.gz BILSGOWGOSRALW-VIFPVBQESA-N 0 1 214.334 2.220 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000086774541 135496349 /nfs/dbraw/zinc/49/63/49/135496349.db2.gz RYSVCTLCDCPILA-TZMCWYRMSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@@H]1OCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000090460433 135550808 /nfs/dbraw/zinc/55/08/08/135550808.db2.gz SYMWOMVNCIOAMH-WCBMZHEXSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1coc(S[C@@H](C)c2n[nH]c(C)n2)n1 ZINC000334588392 135760163 /nfs/dbraw/zinc/76/01/63/135760163.db2.gz VJPHMIYQARWCIT-LURJTMIESA-N 0 1 224.289 2.263 20 0 BEADMN Cc1ccc(CN2CC(C3CCCC3)C2)nn1 ZINC000334844432 135821355 /nfs/dbraw/zinc/82/13/55/135821355.db2.gz QVJBXKNSEQBVLM-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN C[C@@H](N[C@H]1CC1(C)C)c1cc2n(n1)CCC2 ZINC000334821775 135833011 /nfs/dbraw/zinc/83/30/11/135833011.db2.gz BPSNRSGCJPIJDO-SKDRFNHKSA-N 0 1 219.332 2.278 20 0 BEADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccncc1F ZINC000334937141 135845505 /nfs/dbraw/zinc/84/55/05/135845505.db2.gz VOEZJNVRXWRZDE-UWVGGRQHSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1cc(CN2CCCC3(CC3)C2)n(C)n1 ZINC000334962956 135851805 /nfs/dbraw/zinc/85/18/05/135851805.db2.gz YWKLPDWRLHFECZ-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN CCCN(C)Cc1ccn(C(F)F)n1 ZINC000347703952 136007692 /nfs/dbraw/zinc/00/76/92/136007692.db2.gz NDZROAFSLUNCSC-UHFFFAOYSA-N 0 1 203.236 2.120 20 0 BEADMN COc1cccc(CCNc2cc(C)ccn2)n1 ZINC000347750466 136011349 /nfs/dbraw/zinc/01/13/49/136011349.db2.gz GYJYHFDLOBXGBW-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN CC[C@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC000347934662 136019182 /nfs/dbraw/zinc/01/91/82/136019182.db2.gz ZADQEPINVXVPHO-NSHDSACASA-N 0 1 222.336 2.091 20 0 BEADMN CC(C)n1cc(CN2[C@H](C)CC[C@@H]2C)nn1 ZINC000335305730 136022440 /nfs/dbraw/zinc/02/24/40/136022440.db2.gz BDAYIFFOOIEHDT-PHIMTYICSA-N 0 1 222.336 2.232 20 0 BEADMN CN1CCN(C(=O)C2CCCCC2)C(C)(C)C1 ZINC000335317976 136026056 /nfs/dbraw/zinc/02/60/56/136026056.db2.gz YZYFRUVUGFJUSP-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@H](COC)[NH2+]Cc1ncccc1[O-] ZINC000348042350 136029132 /nfs/dbraw/zinc/02/91/32/136029132.db2.gz NAVQHTIQTFBHQO-LLVKDONJSA-N 0 1 238.331 2.082 20 0 BEADMN CCCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CC1 ZINC000335314527 136031932 /nfs/dbraw/zinc/03/19/32/136031932.db2.gz DCPXQTSQHXTRKX-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(C[N@H+]2CCCC3(CCC3)C2)nn1C ZINC000348169067 136042098 /nfs/dbraw/zinc/04/20/98/136042098.db2.gz OITWFULVBWHRPU-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN Cc1cc(CN2CCCC3(CCC3)C2)nn1C ZINC000348169067 136042099 /nfs/dbraw/zinc/04/20/99/136042099.db2.gz OITWFULVBWHRPU-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccn(C)n1 ZINC000348173814 136043025 /nfs/dbraw/zinc/04/30/25/136043025.db2.gz WOLSGGXDLNCWOL-OYNCUSHFSA-N 0 1 229.274 2.114 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCCC2(CC2)C1 ZINC000335339413 136045506 /nfs/dbraw/zinc/04/55/06/136045506.db2.gz XUIFQLDQXAQJGA-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN Oc1cc(F)cc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000348214454 136046239 /nfs/dbraw/zinc/04/62/39/136046239.db2.gz COKIJEITILRZPK-NXEZZACHSA-N 0 1 231.217 2.275 20 0 BEADMN C[C@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CCCO1 ZINC000335326938 136052120 /nfs/dbraw/zinc/05/21/20/136052120.db2.gz LSUSMLMXYUNPIB-HIFPTAJRSA-N 0 1 241.375 2.443 20 0 BEADMN COc1c(O)cccc1CN1[C@@H](C)C[C@@H]1C ZINC000335328076 136052849 /nfs/dbraw/zinc/05/28/49/136052849.db2.gz DURKYTHCBKBUAJ-UWVGGRQHSA-N 0 1 221.300 2.384 20 0 BEADMN CC(C)(C)CCN1CCn2ccnc2C1 ZINC000335330802 136053848 /nfs/dbraw/zinc/05/38/48/136053848.db2.gz UBNNPFMKUBASRI-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN c1nc2n(n1)CCC[C@H]2NC1CC2(CCC2)C1 ZINC000335336065 136055920 /nfs/dbraw/zinc/05/59/20/136055920.db2.gz QIHIDQCKKZZVBD-LLVKDONJSA-N 0 1 232.331 2.035 20 0 BEADMN CC(C)C[C@@H](C)CN1CCOC[C@@]12CCOC2 ZINC000348283652 136059706 /nfs/dbraw/zinc/05/97/06/136059706.db2.gz DIBRHZXXICEQJZ-KGLIPLIRSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1ccnc(C[N@H+](C)C2CCCC2)n1 ZINC000335344496 136065692 /nfs/dbraw/zinc/06/56/92/136065692.db2.gz IXTRGPKHMPMHQO-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1ccnc(CN(C)C2CCCC2)n1 ZINC000335344496 136065693 /nfs/dbraw/zinc/06/56/93/136065693.db2.gz IXTRGPKHMPMHQO-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1C ZINC000335353419 136070165 /nfs/dbraw/zinc/07/01/65/136070165.db2.gz OHHSLFULRXKPBJ-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN Cc1cc(CN2CC[C@](O)(C(F)F)C2)cs1 ZINC000335354284 136070549 /nfs/dbraw/zinc/07/05/49/136070549.db2.gz UACWQKOSRBRFIJ-LLVKDONJSA-N 0 1 247.310 2.258 20 0 BEADMN Cc1cc(N2CCN(C)C[C@H]2C)nc(C(C)C)n1 ZINC000348369696 136073116 /nfs/dbraw/zinc/07/31/16/136073116.db2.gz VELDRIBNEOVWIE-GFCCVEGCSA-N 0 1 248.374 2.049 20 0 BEADMN C[C@@H]1CCC(C)(C)N1Cc1nc(C2CC2)nn1C ZINC000335367240 136081952 /nfs/dbraw/zinc/08/19/52/136081952.db2.gz FGFYQUFFZCINOC-SNVBAGLBSA-N 0 1 248.374 2.455 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]2CC(C)C)[nH]1 ZINC000335386805 136089384 /nfs/dbraw/zinc/08/93/84/136089384.db2.gz BTNRXRVGTSMYDF-NSHDSACASA-N 0 1 235.331 2.369 20 0 BEADMN COc1ccsc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348556002 136096710 /nfs/dbraw/zinc/09/67/10/136096710.db2.gz OAUUJYKQYPLVME-ZJUUUORDSA-N 0 1 241.356 2.102 20 0 BEADMN Cc1ccc(CN2CCC[C@H](n3ccnn3)C2)o1 ZINC000335549771 136097788 /nfs/dbraw/zinc/09/77/88/136097788.db2.gz KRCOSGXXKRHHDP-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CCc1nc(C)c(CN2C[C@@H]3C[C@H]2CS3)o1 ZINC000335584277 136101284 /nfs/dbraw/zinc/10/12/84/136101284.db2.gz RARCTSRQMWPMGM-UWVGGRQHSA-N 0 1 238.356 2.235 20 0 BEADMN Cc1noc(C)c1CCN1C[C@@H]2C[C@H]1CS2 ZINC000335584333 136101422 /nfs/dbraw/zinc/10/14/22/136101422.db2.gz SMXHVRUQSRNBCQ-QWRGUYRKSA-N 0 1 238.356 2.024 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cnns1 ZINC000335595303 136104689 /nfs/dbraw/zinc/10/46/89/136104689.db2.gz BCGPEBPCWRQCJV-SCZZXKLOSA-N 0 1 211.334 2.159 20 0 BEADMN CCc1nc(NC(=O)c2cccc(F)c2C)n[nH]1 ZINC000335561750 136106062 /nfs/dbraw/zinc/10/60/62/136106062.db2.gz JGYDTBPPGFPTPT-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cccc(F)c2C)n1 ZINC000335561750 136106063 /nfs/dbraw/zinc/10/60/63/136106063.db2.gz JGYDTBPPGFPTPT-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1cnns1 ZINC000335569869 136109075 /nfs/dbraw/zinc/10/90/75/136109075.db2.gz JVPGSOOCYQOHFP-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cnns1 ZINC000335570359 136109209 /nfs/dbraw/zinc/10/92/09/136109209.db2.gz LPMDFWOHIOURPJ-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cnns1 ZINC000335571667 136109813 /nfs/dbraw/zinc/10/98/13/136109813.db2.gz YCZSAJXHGFPVJB-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cnns1 ZINC000335571667 136109814 /nfs/dbraw/zinc/10/98/14/136109814.db2.gz YCZSAJXHGFPVJB-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN Cc1c(CN2CC3(C2)CCCCC3)cnn1C ZINC000335572651 136110122 /nfs/dbraw/zinc/11/01/22/136110122.db2.gz OCZPJSINQXPEPM-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN c1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)n[nH]1 ZINC000335579899 136111784 /nfs/dbraw/zinc/11/17/84/136111784.db2.gz LKAALQFEFYDZBI-LBPRGKRZSA-N 0 1 237.372 2.129 20 0 BEADMN c1cc(CN2CCC[C@]3(CCSC3)C2)n[nH]1 ZINC000335579899 136111785 /nfs/dbraw/zinc/11/17/85/136111785.db2.gz LKAALQFEFYDZBI-LBPRGKRZSA-N 0 1 237.372 2.129 20 0 BEADMN COCCCCCN[C@H](C)c1csnn1 ZINC001646240841 1172723451 /nfs/dbraw/zinc/72/34/51/1172723451.db2.gz MPZYHOILFKABLL-SECBINFHSA-N 0 1 229.349 2.005 20 0 BEADMN Cc1nc(CN[C@@H](CCO)C(C)(C)C)oc1C ZINC000181488565 397807918 /nfs/dbraw/zinc/80/79/18/397807918.db2.gz TXCCTYNCNLMKHS-NSHDSACASA-N 0 1 240.347 2.178 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1cscn1 ZINC000300887833 397780501 /nfs/dbraw/zinc/78/05/01/397780501.db2.gz BBPJNJALMQSXSK-MRVPVSSYSA-N 0 1 214.334 2.046 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000216157561 397852173 /nfs/dbraw/zinc/85/21/73/397852173.db2.gz KGWHUPNOWBDCNS-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN FC(F)(F)C1CCN(Cc2cnc[nH]2)CC1 ZINC000179963834 397854805 /nfs/dbraw/zinc/85/48/05/397854805.db2.gz JKYQPFGWBNNHBB-UHFFFAOYSA-N 0 1 233.237 2.184 20 0 BEADMN CO[C@@H](C)[C@@H](C)Nc1ccnc(C)c1Cl ZINC000336756174 397878618 /nfs/dbraw/zinc/87/86/18/397878618.db2.gz IOGSMGGYKXLTPZ-APPZFPTMSA-N 0 1 228.723 2.301 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000265576484 397934373 /nfs/dbraw/zinc/93/43/73/397934373.db2.gz BXUVNHUAZMPUTM-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000265576488 397934419 /nfs/dbraw/zinc/93/44/19/397934419.db2.gz BXUVNHUAZMPUTM-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@H]1CCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000158010050 397940131 /nfs/dbraw/zinc/94/01/31/397940131.db2.gz MGGNGPNQXXJKFZ-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)C1=CCCC1 ZINC000650153622 397944572 /nfs/dbraw/zinc/94/45/72/397944572.db2.gz YFKHBVVHANXQNF-IJLUTSLNSA-N 0 1 236.359 2.036 20 0 BEADMN CC(C)[C@H](C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650151654 397944804 /nfs/dbraw/zinc/94/48/04/397944804.db2.gz QVQMHQHTUSNDMD-VOAKCMCISA-N 0 1 240.391 2.218 20 0 BEADMN CC(C)[C@H](C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650151653 397945161 /nfs/dbraw/zinc/94/51/61/397945161.db2.gz QVQMHQHTUSNDMD-MROQNXINSA-N 0 1 240.391 2.218 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CC2CCC2)[C@@H](C)CN1C ZINC000650152558 397945669 /nfs/dbraw/zinc/94/56/69/397945669.db2.gz GUMXAUZAZGDVDE-QJPTWQEYSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CC1(C)CC1 ZINC000650154563 397945977 /nfs/dbraw/zinc/94/59/77/397945977.db2.gz MUKOXGCOOVSWKF-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CC1(C)CC1 ZINC000650154563 397945982 /nfs/dbraw/zinc/94/59/82/397945982.db2.gz MUKOXGCOOVSWKF-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC000268768763 397953979 /nfs/dbraw/zinc/95/39/79/397953979.db2.gz CZHBVSHWOGBZHM-GFQSEFKGSA-N 0 1 247.338 2.430 20 0 BEADMN CN(CC1(F)CC1)[C@H](CO)c1ccccc1 ZINC000648714308 397958121 /nfs/dbraw/zinc/95/81/21/397958121.db2.gz PNRZXHBCKCEVTM-GFCCVEGCSA-N 0 1 223.291 2.154 20 0 BEADMN C[C@H](NCc1ccccc1)c1ccnn1C ZINC000192244717 397892483 /nfs/dbraw/zinc/89/24/83/397892483.db2.gz JGAYGFCPWNJWAY-NSHDSACASA-N 0 1 215.300 2.271 20 0 BEADMN c1csc(CN2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC000335944679 397893447 /nfs/dbraw/zinc/89/34/47/397893447.db2.gz ANJXXDZZBRLFPT-QWRGUYRKSA-N 0 1 238.356 2.002 20 0 BEADMN CCNC(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433044910 397916106 /nfs/dbraw/zinc/91/61/06/397916106.db2.gz KZAOAGGRDOTLFV-AWEZNQCLSA-N 0 1 246.354 2.002 20 0 BEADMN Cc1nnsc1CN(C(C)C)C(C)C ZINC000649572941 397963598 /nfs/dbraw/zinc/96/35/98/397963598.db2.gz NSZXJVFZROAMDB-UHFFFAOYSA-N 0 1 213.350 2.465 20 0 BEADMN Cc1nnsc1CN1CC[C@@H](c2ccco2)C1 ZINC000649528072 397920287 /nfs/dbraw/zinc/92/02/87/397920287.db2.gz ZZPBTOBQYQPAIT-SNVBAGLBSA-N 0 1 249.339 2.429 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC000264666655 397922899 /nfs/dbraw/zinc/92/28/99/397922899.db2.gz XIWHPANJXYYKNW-SNVBAGLBSA-N 0 1 221.304 2.123 20 0 BEADMN CC(C)C[C@H](N)c1noc(C[C@@H]2C[C@H]2C)n1 ZINC000414620562 397993528 /nfs/dbraw/zinc/99/35/28/397993528.db2.gz QBWAQUZBQDMKDO-UTLUCORTSA-N 0 1 223.320 2.314 20 0 BEADMN CO[C@@H](c1nc([C@H](N)CC(C)C)no1)C1CC1 ZINC000414621324 397994759 /nfs/dbraw/zinc/99/47/59/397994759.db2.gz LZFUHYZCAFNDFM-NXEZZACHSA-N 0 1 239.319 2.213 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000273372369 397996871 /nfs/dbraw/zinc/99/68/71/397996871.db2.gz FKRNHNSMNKZADO-SNVBAGLBSA-N 0 1 221.304 2.205 20 0 BEADMN CSc1n[nH]c(NC(=O)[C@@H](C)CC(C)C)n1 ZINC000274220706 398004877 /nfs/dbraw/zinc/00/48/77/398004877.db2.gz JLBJHWSTFKGFTM-ZETCQYMHSA-N 0 1 242.348 2.147 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1O ZINC000157826558 398014343 /nfs/dbraw/zinc/01/43/43/398014343.db2.gz KMXAKNFHRUDCKC-QWRGUYRKSA-N 0 1 248.326 2.204 20 0 BEADMN C1=C(C[N@H+]2CCO[C@]3(CCSC3)C2)CCC1 ZINC000645964711 398015813 /nfs/dbraw/zinc/01/58/13/398015813.db2.gz JEFLHOPXDFHQMZ-CYBMUJFWSA-N 0 1 239.384 2.305 20 0 BEADMN C1=C(CN2CCO[C@]3(CCSC3)C2)CCC1 ZINC000645964711 398015816 /nfs/dbraw/zinc/01/58/16/398015816.db2.gz JEFLHOPXDFHQMZ-CYBMUJFWSA-N 0 1 239.384 2.305 20 0 BEADMN Cc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000184283226 398016117 /nfs/dbraw/zinc/01/61/17/398016117.db2.gz JCENVBNZNXBVSS-OWCSCZDJSA-N 0 1 229.345 2.006 20 0 BEADMN CC[C@H]1C[C@H](CN(C)Cc2ccon2)CCO1 ZINC000356997521 397971088 /nfs/dbraw/zinc/97/10/88/397971088.db2.gz RQIKDZPIQOPPKE-YPMHNXCESA-N 0 1 238.331 2.312 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649588108 397971659 /nfs/dbraw/zinc/97/16/59/397971659.db2.gz BMNRMQFYWFSXTG-BXUZGUMPSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1[C@H](O)CC[N@H+]1CCCCC(F)(F)F ZINC000650190282 397973503 /nfs/dbraw/zinc/97/35/03/397973503.db2.gz LESSHHLWJVWYAR-RKDXNWHRSA-N 0 1 225.254 2.174 20 0 BEADMN COc1ccnc(CN2CCC(CF)CC2)c1 ZINC000451386687 397973868 /nfs/dbraw/zinc/97/38/68/397973868.db2.gz AFWXFQCOKFKPCP-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN C[C@@H]1CCCN(Cc2nccn2C)[C@H]1C ZINC000247125860 397981299 /nfs/dbraw/zinc/98/12/99/397981299.db2.gz ZADCRQYIFUYDRC-MNOVXSKESA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@@H]1CN(CCc2ccccn2)[C@H](C)CO1 ZINC000649729853 398067975 /nfs/dbraw/zinc/06/79/75/398067975.db2.gz HAQRLZJKBDWZIA-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(CCOC(C)(C)C)[C@@H](C)CO1 ZINC000649731761 398071196 /nfs/dbraw/zinc/07/11/96/398071196.db2.gz MLNUMUDPWNXRAB-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H]1CN(CCc2cccc(C)n2)[C@H](C)CO1 ZINC000649736983 398079785 /nfs/dbraw/zinc/07/97/85/398079785.db2.gz OHDXPHRDHOPWLC-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H](COC)N[C@H](C)c1c(F)cncc1F ZINC000285657804 398079931 /nfs/dbraw/zinc/07/99/31/398079931.db2.gz LZIOLTPVAWABAD-BDAKNGLRSA-N 0 1 244.285 2.435 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@H](C)CC(=O)[O-])c1 ZINC000516585202 398080333 /nfs/dbraw/zinc/08/03/33/398080333.db2.gz KRYHRPCVGRJGEX-SNVBAGLBSA-N 0 1 239.290 2.429 20 0 BEADMN CCN(Cc1c(C)noc1C)[C@H]1CCCOC1 ZINC000649755150 398085568 /nfs/dbraw/zinc/08/55/68/398085568.db2.gz GJAWHALBKYZAGT-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN Cn1ccc(/C=C\c2nc([C@H]3CCCN3)no2)c1 ZINC000647145883 398086996 /nfs/dbraw/zinc/08/69/96/398086996.db2.gz HHRZQRQFSYPYJO-DOGVGXBMSA-N 0 1 244.298 2.003 20 0 BEADMN Cn1ccc(/C=C/c2nc([C@H]3CCCN3)no2)c1 ZINC000647145884 398087811 /nfs/dbraw/zinc/08/78/11/398087811.db2.gz HHRZQRQFSYPYJO-SGUJLRQBSA-N 0 1 244.298 2.003 20 0 BEADMN C[C@H](O)CN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000291119919 398090041 /nfs/dbraw/zinc/09/00/41/398090041.db2.gz ATLPEQMPDMPFPY-UWVGGRQHSA-N 0 1 234.299 2.201 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](OC(C)C)C2)cn1 ZINC000649702906 398051316 /nfs/dbraw/zinc/05/13/16/398051316.db2.gz QAUKFPNTKHKKIJ-CQSZACIVSA-N 0 1 249.358 2.174 20 0 BEADMN CC(C)(C)OCc1cc(CNCC2CC2)no1 ZINC000186414046 398053606 /nfs/dbraw/zinc/05/36/06/398053606.db2.gz PEFHTWGDVUFNRM-UHFFFAOYSA-N 0 1 238.331 2.489 20 0 BEADMN CCN(C)C(=O)CNCc1coc2ccccc12 ZINC000185178218 398057819 /nfs/dbraw/zinc/05/78/19/398057819.db2.gz KWKVDFHBVCZLSI-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CC(C)[C@@H]1CCCCN1Cc1ncccn1 ZINC000192030335 398104201 /nfs/dbraw/zinc/10/42/01/398104201.db2.gz YMZPZBZFNMQLSO-LBPRGKRZSA-N 0 1 219.332 2.487 20 0 BEADMN CCNCc1cn(C[C@@H](C)c2ccccc2)nn1 ZINC000384753795 398104881 /nfs/dbraw/zinc/10/48/81/398104881.db2.gz NDUKBSNOSJEYEB-GFCCVEGCSA-N 0 1 244.342 2.191 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCS[C@@H](C)CC1 ZINC000192176328 398105995 /nfs/dbraw/zinc/10/59/95/398105995.db2.gz YHGPJUTYLSUMLY-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN FC(F)(F)CCNCc1cn2ccccc2n1 ZINC000059382764 398106109 /nfs/dbraw/zinc/10/61/09/398106109.db2.gz MCKVDXSUWLWDBX-UHFFFAOYSA-N 0 1 243.232 2.376 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H](C)CC(C)C ZINC000069397122 398106640 /nfs/dbraw/zinc/10/66/40/398106640.db2.gz DPWXOVWALPAVJH-SNVBAGLBSA-N 0 1 237.347 2.407 20 0 BEADMN Cc1cnc(CNC2(C3CCC3)CC2)nc1 ZINC000649810442 398116828 /nfs/dbraw/zinc/11/68/28/398116828.db2.gz LDLLXBCKWGCCNK-UHFFFAOYSA-N 0 1 217.316 2.207 20 0 BEADMN Cc1nnc(CNC2(C3CCC3)CC2)s1 ZINC000649810454 398116860 /nfs/dbraw/zinc/11/68/60/398116860.db2.gz LQBODVCTFSCJQE-UHFFFAOYSA-N 0 1 223.345 2.269 20 0 BEADMN CN[C@H](C)c1cn(CCCC(C)(C)C)nn1 ZINC000309230575 398116893 /nfs/dbraw/zinc/11/68/93/398116893.db2.gz DJYLONXBRFHVDV-SNVBAGLBSA-N 0 1 224.352 2.385 20 0 BEADMN CN[C@@H](C)c1cn(C[C@H](C)c2ccccc2)nn1 ZINC000384990703 398124020 /nfs/dbraw/zinc/12/40/20/398124020.db2.gz VDQXLIZAIJRGLQ-RYUDHWBXSA-N 0 1 244.342 2.362 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)C2(CCC2)CO1 ZINC000649822517 398124197 /nfs/dbraw/zinc/12/41/97/398124197.db2.gz IZYLYYVMLZBQTF-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@]1(O)CCN(Cc2cccc(O)c2Cl)C1 ZINC000294333521 398125583 /nfs/dbraw/zinc/12/55/83/398125583.db2.gz RUCIVRGJRFZMIZ-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN CCOc1ccc(CNCc2cncn2C)cc1 ZINC000263852294 398126589 /nfs/dbraw/zinc/12/65/89/398126589.db2.gz PLEONGJZDLULNC-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN Cc1ccc([C@@H](C)N[C@@H](CO)CC(F)F)o1 ZINC000336741247 398126964 /nfs/dbraw/zinc/12/69/64/398126964.db2.gz NAMOXOXVWIIREJ-RKDXNWHRSA-N 0 1 233.258 2.255 20 0 BEADMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccncc1C ZINC000294628051 398129151 /nfs/dbraw/zinc/12/91/51/398129151.db2.gz ZXWKNRJJXFKDFZ-OCCSQVGLSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1Cc1ccncc1C ZINC000294628051 398129152 /nfs/dbraw/zinc/12/91/52/398129152.db2.gz ZXWKNRJJXFKDFZ-OCCSQVGLSA-N 0 1 234.343 2.389 20 0 BEADMN O=C(NCCC(F)F)c1ccc(Cl)c(O)c1 ZINC001648006038 1172787883 /nfs/dbraw/zinc/78/78/83/1172787883.db2.gz ZPLJQDHITFAGCM-UHFFFAOYSA-N 0 1 249.644 2.431 20 0 BEADMN CCOC(=O)[C@H](CC1CC1)NC[Si](C)(C)C ZINC001648237593 1172812655 /nfs/dbraw/zinc/81/26/55/1172812655.db2.gz GYUUBMQGOCHMPE-NSHDSACASA-N 0 1 243.423 2.185 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)CCc1cc(C)[nH]n1 ZINC001648340482 1172825545 /nfs/dbraw/zinc/82/55/45/1172825545.db2.gz UJUJSIZMYBXSAA-CYBMUJFWSA-N 0 1 249.358 2.442 20 0 BEADMN Cc1cc(CNC2([C@@H]3CCCO3)CCC2)on1 ZINC001648623935 1172859703 /nfs/dbraw/zinc/85/97/03/1172859703.db2.gz FBGRUFIYHUBETH-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762844 487559761 /nfs/dbraw/zinc/55/97/61/487559761.db2.gz RSMTXRMZJNXDCB-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN CCC[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CC1 ZINC000094762394 487559932 /nfs/dbraw/zinc/55/99/32/487559932.db2.gz UGRNUKCZABVNRJ-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829959 487560228 /nfs/dbraw/zinc/56/02/28/487560228.db2.gz DASPLAJGAQOLHY-FZMZJTMJSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ncc(CN2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000667464818 487561268 /nfs/dbraw/zinc/56/12/68/487561268.db2.gz CHBUBXUVFKFNTI-CQSZACIVSA-N 0 1 244.342 2.394 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CCCCCF ZINC000341901232 167170529 /nfs/dbraw/zinc/17/05/29/167170529.db2.gz ZONGFFMGXQOIRI-NSHDSACASA-N 0 1 233.327 2.398 20 0 BEADMN CC(C)CC[C@@H](C)Oc1nccc(=O)[nH]1 ZINC001226324093 974856488 /nfs/dbraw/zinc/85/64/88/974856488.db2.gz HXYRVHIJCNGEFN-SECBINFHSA-N 0 1 210.277 2.386 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000300973584 487566352 /nfs/dbraw/zinc/56/63/52/487566352.db2.gz RBGAIDFIKDCLQG-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CC(C)CN(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048545589 487566639 /nfs/dbraw/zinc/56/66/39/487566639.db2.gz WEINOODXYDHYEH-UHFFFAOYSA-N 0 1 245.326 2.011 20 0 BEADMN COC[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccco1 ZINC000680341900 487569254 /nfs/dbraw/zinc/56/92/54/487569254.db2.gz GWDHMXKAHGKHQC-SRVKXCTJSA-N 0 1 239.315 2.124 20 0 BEADMN CCN(Cc1[nH]ncc1C)c1cccc(O)c1 ZINC000668804176 487571090 /nfs/dbraw/zinc/57/10/90/487571090.db2.gz KDYJMNRALULGOU-UHFFFAOYSA-N 0 1 231.299 2.450 20 0 BEADMN Cc1ccoc1CN[C@@H]1CCCC(F)(F)[C@H]1O ZINC000334857692 487571992 /nfs/dbraw/zinc/57/19/92/487571992.db2.gz XEDDPFIGQSEQOO-KOLCDFICSA-N 0 1 245.269 2.226 20 0 BEADMN CC1(C)C[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000225424982 487572853 /nfs/dbraw/zinc/57/28/53/487572853.db2.gz OPLCEFUAQLUGML-HTQZYQBOSA-N 0 1 207.277 2.008 20 0 BEADMN CC(C)OCCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000368490146 167212057 /nfs/dbraw/zinc/21/20/57/167212057.db2.gz KWIMRUJVSLIUPY-CYBMUJFWSA-N 0 1 237.347 2.362 20 0 BEADMN NC(=O)C1(NCc2cc3ccccc3s2)CC1 ZINC000680389372 487582711 /nfs/dbraw/zinc/58/27/11/487582711.db2.gz PRAZPSULGOKMMR-UHFFFAOYSA-N 0 1 246.335 2.009 20 0 BEADMN Cc1cc(CNCc2cnc(C)nc2)cc(C)n1 ZINC001651234398 1172936202 /nfs/dbraw/zinc/93/62/02/1172936202.db2.gz UVISEUAIQZPIDB-UHFFFAOYSA-N 0 1 242.326 2.087 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)CCC(C)C)cc1 ZINC000228080522 487584832 /nfs/dbraw/zinc/58/48/32/487584832.db2.gz KLHFZRROUJJHLD-AWEZNQCLSA-N 0 1 248.370 2.499 20 0 BEADMN CC(C)OC[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000337304771 167257154 /nfs/dbraw/zinc/25/71/54/167257154.db2.gz QVDFIXCLXUOIEJ-NEPJUHHUSA-N 0 1 241.331 2.106 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccncc1Cl ZINC000674499378 487588138 /nfs/dbraw/zinc/58/81/38/487588138.db2.gz SZPXHLNMLUQXMM-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812843 487590407 /nfs/dbraw/zinc/59/04/07/487590407.db2.gz RZGRWRGTKYHHQW-UHFFFAOYSA-N 0 1 211.261 2.128 20 0 BEADMN C[C@@H](NC[C@@H](C)C(C)(C)C)c1ncn(C)n1 ZINC000309754597 487590824 /nfs/dbraw/zinc/59/08/24/487590824.db2.gz LHQBPDWRVUHUQC-NXEZZACHSA-N 0 1 224.352 2.148 20 0 BEADMN Cl/C=C/CNCc1cnc2ccccn12 ZINC001651651132 1172969438 /nfs/dbraw/zinc/96/94/38/1172969438.db2.gz BUDPDWQFSJPCKA-HWKANZROSA-N 0 1 221.691 2.176 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000305977429 487605488 /nfs/dbraw/zinc/60/54/88/487605488.db2.gz RHOFRKZURXMTSP-FZMZJTMJSA-N 0 1 235.327 2.392 20 0 BEADMN C[C@H](CO)CN(C)Cc1ccc(F)cc1F ZINC000674694217 487607742 /nfs/dbraw/zinc/60/77/42/487607742.db2.gz DZEJMQDWEISCQC-VIFPVBQESA-N 0 1 229.270 2.025 20 0 BEADMN CC(C)SCCN1CCO[C@@H](C)[C@H]1C ZINC000336703426 167325350 /nfs/dbraw/zinc/32/53/50/167325350.db2.gz ZZLZFTOAFOMQQR-MNOVXSKESA-N 0 1 217.378 2.237 20 0 BEADMN CC(C)SCCN1CCO[C@@H](C(C)C)C1 ZINC000338302447 167326980 /nfs/dbraw/zinc/32/69/80/167326980.db2.gz RTKVOPQQYJGSFM-GFCCVEGCSA-N 0 1 231.405 2.485 20 0 BEADMN CC(C)SCCN1CCO[C@@H]2CCC[C@H]21 ZINC000369503350 167326820 /nfs/dbraw/zinc/32/68/20/167326820.db2.gz KUOBDYZEGZFPOU-VXGBXAGGSA-N 0 1 229.389 2.381 20 0 BEADMN Cc1nnc([C@H](C)N(C)C[C@H]2CC2(C)C)o1 ZINC000662346983 409660769 /nfs/dbraw/zinc/66/07/69/409660769.db2.gz GYYTXKVHWZZXDL-WCBMZHEXSA-N 0 1 223.320 2.417 20 0 BEADMN Nc1cccc(CN2CCO[C@@H](C3CCC3)C2)c1 ZINC000660797202 409757691 /nfs/dbraw/zinc/75/76/91/409757691.db2.gz MSYZHUIYTZFMKC-OAHLLOKOSA-N 0 1 246.354 2.270 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000660824582 409800779 /nfs/dbraw/zinc/80/07/79/409800779.db2.gz OLJBILMUWLWHCM-NAKRPEOUSA-N 0 1 236.363 2.404 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000308786274 409905125 /nfs/dbraw/zinc/90/51/25/409905125.db2.gz GGCVBOWZXKTACA-VHSXEESVSA-N 0 1 215.337 2.464 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCCF ZINC000308785685 409906325 /nfs/dbraw/zinc/90/63/25/409906325.db2.gz FJJMTUDMXSESMD-JTQLQIEISA-N 0 1 217.284 2.065 20 0 BEADMN C[N@@H+](CCCC1CCCC1)Cc1n[n-]c(=O)o1 ZINC000660848918 409860299 /nfs/dbraw/zinc/86/02/99/409860299.db2.gz RTYMMKNWMLFDSV-UHFFFAOYSA-N 0 1 239.319 2.177 20 0 BEADMN Fc1ccc(Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396688 409972907 /nfs/dbraw/zinc/97/29/07/409972907.db2.gz IMUJYUIQNCQDLL-NSHDSACASA-N 0 1 247.273 2.224 20 0 BEADMN C[C@@H](O)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000658364305 409986716 /nfs/dbraw/zinc/98/67/16/409986716.db2.gz ZNXJTWMMRQEARK-MISXGVKJSA-N 0 1 245.326 2.182 20 0 BEADMN CCOc1ccc(CNCCF)cc1OC ZINC000304123326 410006223 /nfs/dbraw/zinc/00/62/23/410006223.db2.gz BZAVNRGDAWUDNK-UHFFFAOYSA-N 0 1 227.279 2.153 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CNCCOCCF)o1 ZINC000663340583 410147879 /nfs/dbraw/zinc/14/78/79/410147879.db2.gz QLCVQVHJVNNBPG-JQWIXIFHSA-N 0 1 241.306 2.479 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000663317321 410109063 /nfs/dbraw/zinc/10/90/63/410109063.db2.gz LRHRNNCNCPSJBQ-GFQSEFKGSA-N 0 1 237.343 2.219 20 0 BEADMN C[N@@H+](C[C@H]1CC1(C)C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000663317394 410110794 /nfs/dbraw/zinc/11/07/94/410110794.db2.gz NDKZWUYILNTNOI-VXGBXAGGSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](COCC1CC1)NCc1ccncc1F ZINC000651983756 410130267 /nfs/dbraw/zinc/13/02/67/410130267.db2.gz JECHRJZISRJOJA-JTQLQIEISA-N 0 1 238.306 2.125 20 0 BEADMN CCc1noc(CN(CC)[C@@H](C)CC)n1 ZINC000661106710 410252133 /nfs/dbraw/zinc/25/21/33/410252133.db2.gz NWBSLZPVCVUBNH-VIFPVBQESA-N 0 1 211.309 2.252 20 0 BEADMN C[C@H]1C[C@H]1CNc1cnn(-c2ccncc2)c1 ZINC000683109460 487614461 /nfs/dbraw/zinc/61/44/61/487614461.db2.gz FLZLBSGYBZFQDK-QWRGUYRKSA-N 0 1 228.299 2.335 20 0 BEADMN CCC(=O)CCCN1CCO[C@@](C)(C2CC2)C1 ZINC000661171002 410318934 /nfs/dbraw/zinc/31/89/34/410318934.db2.gz JWWGFPYDJFHLNR-CQSZACIVSA-N 0 1 239.359 2.247 20 0 BEADMN C(=C\c1ccncc1)\CNCc1ccco1 ZINC000336647874 166228144 /nfs/dbraw/zinc/22/81/44/166228144.db2.gz CGCUWHGXRJBVPM-IWQZZHSRSA-N 0 1 214.268 2.478 20 0 BEADMN CC(C)(C)CNC(=O)C(C)(C)NC/C=C/Cl ZINC000155374999 166580894 /nfs/dbraw/zinc/58/08/94/166580894.db2.gz TXJJYYZNWMKUAR-VOTSOKGWSA-N 0 1 246.782 2.269 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCCCF)C1 ZINC000309243330 410633884 /nfs/dbraw/zinc/63/38/84/410633884.db2.gz XLNHFOUVRKDOSM-NSHDSACASA-N 0 1 231.311 2.313 20 0 BEADMN Cc1nc(CN2CC[C@H]2c2ccc(F)cc2)n[nH]1 ZINC000661515643 410721684 /nfs/dbraw/zinc/72/16/84/410721684.db2.gz YWXZTUILLPOXNQ-LBPRGKRZSA-N 0 1 246.289 2.199 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C ZINC000103294608 410889458 /nfs/dbraw/zinc/88/94/58/410889458.db2.gz CHXBHGDTBGWMRB-ZETCQYMHSA-N 0 1 206.220 2.184 20 0 BEADMN CC(C)CNCc1ncc(C(F)(F)F)cn1 ZINC000294960182 167009572 /nfs/dbraw/zinc/00/95/72/167009572.db2.gz IELDVJKSGMRDQL-UHFFFAOYSA-N 0 1 233.237 2.241 20 0 BEADMN CC(C)N1CC[C@H](N(C)Cc2ccccc2)C1=O ZINC000177632515 167025153 /nfs/dbraw/zinc/02/51/53/167025153.db2.gz MUFFNKRHEJZDPM-AWEZNQCLSA-N 0 1 246.354 2.128 20 0 BEADMN CC(C)NC(=O)CNCc1ccc(C(C)C)cc1 ZINC000035136040 167057943 /nfs/dbraw/zinc/05/79/43/167057943.db2.gz FIZXOAJVOHOZDT-UHFFFAOYSA-N 0 1 248.370 2.424 20 0 BEADMN CC(C)NCc1cc(COC(C)(C)C)on1 ZINC000052629654 167116487 /nfs/dbraw/zinc/11/64/87/167116487.db2.gz HWRLACXKUDCPGV-UHFFFAOYSA-N 0 1 226.320 2.488 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N1CCCCCC1 ZINC000354893054 167168459 /nfs/dbraw/zinc/16/84/59/167168459.db2.gz FZXFQEHQJIIEDA-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)OC(=O)CCN(C)Cc1ccco1 ZINC000157387972 167153513 /nfs/dbraw/zinc/15/35/13/167153513.db2.gz FUVXCDFBAMXRAY-UHFFFAOYSA-N 0 1 225.288 2.053 20 0 BEADMN CC(C)OCCN[C@@H](C)c1nccs1 ZINC000070634473 167245400 /nfs/dbraw/zinc/24/54/00/167245400.db2.gz SLOBLTWWBRLACT-VIFPVBQESA-N 0 1 214.334 2.219 20 0 BEADMN Cn1cnnc1CN1CC[C@H](C2CCCCC2)C1 ZINC000661579213 410914457 /nfs/dbraw/zinc/91/44/57/410914457.db2.gz VMZUCJNZFOZHSX-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@H](N)c1ccccc1 ZINC000081060221 167361036 /nfs/dbraw/zinc/36/10/36/167361036.db2.gz GPQKIPFPHBBCJY-WCQYABFASA-N 0 1 234.343 2.095 20 0 BEADMN c1c2cnccc2oc1CN1CCSCC1 ZINC000651611575 411130386 /nfs/dbraw/zinc/13/03/86/411130386.db2.gz BSXKGPZDXIQGCF-UHFFFAOYSA-N 0 1 234.324 2.377 20 0 BEADMN COc1cc(CN2CCC3(CCC3)C2)on1 ZINC000659999522 411163131 /nfs/dbraw/zinc/16/31/31/411163131.db2.gz BPLQRWMXLCGABJ-UHFFFAOYSA-N 0 1 222.288 2.059 20 0 BEADMN C[C@@H]1CCCCC[C@H]1NCC(F)(F)CO ZINC000651764408 411142663 /nfs/dbraw/zinc/14/26/63/411142663.db2.gz XYDNQOFOKDHPQD-NXEZZACHSA-N 0 1 221.291 2.172 20 0 BEADMN CC/C=C/CNCc1cnnn1-c1ccccc1 ZINC000651821718 411145760 /nfs/dbraw/zinc/14/57/60/411145760.db2.gz WEBKIAGBRZBDFX-XVNBXDOJSA-N 0 1 242.326 2.323 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000652059502 411100658 /nfs/dbraw/zinc/10/06/58/411100658.db2.gz NKUIVHGSZFXYFH-LOWVWBTDSA-N 0 1 235.327 2.360 20 0 BEADMN F[C@@H]1CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000652077868 411109117 /nfs/dbraw/zinc/10/91/17/411109117.db2.gz VPYZVGINOAFUCJ-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000652077770 411109479 /nfs/dbraw/zinc/10/94/79/411109479.db2.gz QHBHGRWBBYVCGQ-JTQLQIEISA-N 0 1 233.290 2.497 20 0 BEADMN CCC(C)(CC)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928003 411115163 /nfs/dbraw/zinc/11/51/63/411115163.db2.gz VQTBEDZTEBRGGV-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000401010555 411171125 /nfs/dbraw/zinc/17/11/25/411171125.db2.gz AHFXUOJVWLYVTB-LBPRGKRZSA-N 0 1 223.316 2.426 20 0 BEADMN CC[N@@H+](CCCc1cccc(C)c1)CC(=O)[O-] ZINC000652465225 411248155 /nfs/dbraw/zinc/24/81/55/411248155.db2.gz AQSWJAUKKSFXGU-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2=CCCC2)[C@H](C(=O)[O-])C1 ZINC000401108549 411176877 /nfs/dbraw/zinc/17/68/77/411176877.db2.gz IKEQAJMSJVJREZ-PWSUYJOCSA-N 0 1 223.316 2.282 20 0 BEADMN COc1ccccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656100156 411178075 /nfs/dbraw/zinc/17/80/75/411178075.db2.gz FVBHFCBNGAQUEI-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN Cc1nnc(CNC2CC(CF)(CF)C2)s1 ZINC000657971002 411182821 /nfs/dbraw/zinc/18/28/21/411182821.db2.gz HVDCEOJYVAWHQY-UHFFFAOYSA-N 0 1 247.314 2.024 20 0 BEADMN C[C@H](COCC1CC1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000652286755 411188267 /nfs/dbraw/zinc/18/82/67/411188267.db2.gz DNYFUDXVIGMTJP-WZRBSPASSA-N 0 1 249.358 2.294 20 0 BEADMN CCc1nnc(NC(=O)C2(C3CCC3)CCC2)[nH]1 ZINC000653696959 411190921 /nfs/dbraw/zinc/19/09/21/411190921.db2.gz SOTOLJZVXHPOGY-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C2(C3CCC3)CCC2)n1 ZINC000653696959 411190924 /nfs/dbraw/zinc/19/09/24/411190924.db2.gz SOTOLJZVXHPOGY-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN CC(C)=CCN[C@H]1CCCn2ccnc21 ZINC000655760173 411191476 /nfs/dbraw/zinc/19/14/76/411191476.db2.gz LHQVCCZAXYACMK-NSHDSACASA-N 0 1 205.305 2.274 20 0 BEADMN Cc1cc(CN[C@@H]2CCCn3nccc32)ccn1 ZINC000658025441 411202865 /nfs/dbraw/zinc/20/28/65/411202865.db2.gz CAFPTEUIBZNOPC-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1COC2(CCC2)C1 ZINC000658028649 411205635 /nfs/dbraw/zinc/20/56/35/411205635.db2.gz LGHGZIGUWPKIOL-NWDGAFQWSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](Cc1ccoc1)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000658100314 411245647 /nfs/dbraw/zinc/24/56/47/411245647.db2.gz DZFMPRNOASGSSW-FOGDFJRCSA-N 0 1 246.314 2.098 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2COC3(CCC3)C2)c2nccn21 ZINC000658030472 411207368 /nfs/dbraw/zinc/20/73/68/411207368.db2.gz ZWLMGIDPQLMYMW-IJLUTSLNSA-N 0 1 247.342 2.190 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC000652350800 411211220 /nfs/dbraw/zinc/21/12/20/411211220.db2.gz KCKUAYZZCKMSBV-LBPRGKRZSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@H](O)CN(Cc1ccc(Cl)cn1)C1CC1 ZINC000653902513 411219744 /nfs/dbraw/zinc/21/97/44/411219744.db2.gz VISQRMPEEFLPEJ-VIFPVBQESA-N 0 1 240.734 2.080 20 0 BEADMN CCCN(Cc1cncnc1OC)C(C)C ZINC000656270166 411220053 /nfs/dbraw/zinc/22/00/53/411220053.db2.gz XJYIEMUDBFXWBW-UHFFFAOYSA-N 0 1 223.320 2.106 20 0 BEADMN CC(=O)c1cccc(CN(C[C@H](C)O)C2CC2)c1 ZINC000653904225 411220259 /nfs/dbraw/zinc/22/02/59/411220259.db2.gz PGTCELXCGFPGOF-NSHDSACASA-N 0 1 247.338 2.234 20 0 BEADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000658060743 411226757 /nfs/dbraw/zinc/22/67/57/411226757.db2.gz PUIWEGIIUGZWPL-MNOVXSKESA-N 0 1 249.358 2.047 20 0 BEADMN CC1(C)SC[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000655766247 411248505 /nfs/dbraw/zinc/24/85/05/411248505.db2.gz OGNSVZMEJMDUAT-ZJUUUORDSA-N 0 1 237.372 2.202 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000652411444 411232892 /nfs/dbraw/zinc/23/28/92/411232892.db2.gz MLHGEJITKXDZQY-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C(C)(C)O)c(C)o1 ZINC000660110717 411233609 /nfs/dbraw/zinc/23/36/09/411233609.db2.gz KCNYSCAQFFXXOK-LBPRGKRZSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nc(C[N@@H+](CCO)C2CCCCC2)co1 ZINC000310459072 411238250 /nfs/dbraw/zinc/23/82/50/411238250.db2.gz DTGZOTZAHLFZNS-UHFFFAOYSA-N 0 1 238.331 2.110 20 0 BEADMN Cc1nc(CN(CCO)C2CCCCC2)co1 ZINC000310459072 411238252 /nfs/dbraw/zinc/23/82/52/411238252.db2.gz DTGZOTZAHLFZNS-UHFFFAOYSA-N 0 1 238.331 2.110 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1Oc1nccc(=O)[nH]1 ZINC001226327222 974861622 /nfs/dbraw/zinc/86/16/22/974861622.db2.gz TVDPMVGGXLIZPW-RKDXNWHRSA-N 0 1 222.288 2.386 20 0 BEADMN C[C@@H](NC/C=C/CO)c1ccc(F)cc1F ZINC000658135129 411261215 /nfs/dbraw/zinc/26/12/15/411261215.db2.gz SGQFVKXMHJBYHS-GKQMSVHHSA-N 0 1 227.254 2.164 20 0 BEADMN C[C@H](NC/C=C\CO)c1ccc(F)cc1F ZINC000658135135 411261257 /nfs/dbraw/zinc/26/12/57/411261257.db2.gz SGQFVKXMHJBYHS-XADBCAIWSA-N 0 1 227.254 2.164 20 0 BEADMN CCC[C@H](NC/C=C/CO)c1ccccn1 ZINC000658142830 411265646 /nfs/dbraw/zinc/26/56/46/411265646.db2.gz ZKJKEOLEJZFBRG-FYJFLYSWSA-N 0 1 220.316 2.061 20 0 BEADMN COc1cc(CN2CC[C@H](C)[C@H](C)C2)on1 ZINC000660155315 411267729 /nfs/dbraw/zinc/26/77/29/411267729.db2.gz BGZYWBFFYSESRP-VHSXEESVSA-N 0 1 224.304 2.161 20 0 BEADMN COc1cc(CN2CC[C@H](C)[C@@H](C)C2)on1 ZINC000660155314 411267907 /nfs/dbraw/zinc/26/79/07/411267907.db2.gz BGZYWBFFYSESRP-UWVGGRQHSA-N 0 1 224.304 2.161 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)C(C)C ZINC000051330321 411270662 /nfs/dbraw/zinc/27/06/62/411270662.db2.gz WHJATUVBIGJWBJ-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CC(C)=CCCN1CCC[C@H]1c1nncn1C ZINC000660161746 411272323 /nfs/dbraw/zinc/27/23/23/411272323.db2.gz OMSVBTDVTJRIJD-LBPRGKRZSA-N 0 1 234.347 2.308 20 0 BEADMN C[C@H]1CN(Cc2cc(C3CC3)no2)[C@@H](C)CN1C ZINC000660163898 411273222 /nfs/dbraw/zinc/27/32/22/411273222.db2.gz BEAXUWQVSYKMHT-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN FC(F)[C@@H]1CCN(CCn2cc(Cl)cn2)C1 ZINC000656482834 411281389 /nfs/dbraw/zinc/28/13/89/411281389.db2.gz OPSYIKGNNZFCJT-MRVPVSSYSA-N 0 1 249.692 2.124 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)CCC(=O)[O-] ZINC000659791645 411283811 /nfs/dbraw/zinc/28/38/11/411283811.db2.gz JGVYJJPLHMQMLR-QMMMGPOBSA-N 0 1 223.263 2.074 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000070652386 411284820 /nfs/dbraw/zinc/28/48/20/411284820.db2.gz YWGOLVXUWCPPDR-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN COC[C@H](CNc1ccc2cnccc2c1)OC ZINC000653469833 411290949 /nfs/dbraw/zinc/29/09/49/411290949.db2.gz MDBXSLXRYUIORR-AWEZNQCLSA-N 0 1 246.310 2.308 20 0 BEADMN CC1(C)C(N[C@@H](C(N)=O)c2ccccc2)C1(C)C ZINC000358961409 167880088 /nfs/dbraw/zinc/88/00/88/167880088.db2.gz FWTJJOXEMMTBEM-LLVKDONJSA-N 0 1 246.354 2.237 20 0 BEADMN CC1(C)C(NC(=O)c2[nH]nc3c2CCC3)C1(C)C ZINC000359648826 167880409 /nfs/dbraw/zinc/88/04/09/167880409.db2.gz NJJSLPBJEIZYJJ-UHFFFAOYSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@@H](NC[C@@]1(C)CC1(F)F)c1nccn1C ZINC000658216380 411296992 /nfs/dbraw/zinc/29/69/92/411296992.db2.gz BDBHEBLJEJJGSV-PSASIEDQSA-N 0 1 229.274 2.116 20 0 BEADMN CCn1ccc(CN[C@H]2CC[C@H](C)SC2)n1 ZINC000655777679 411297226 /nfs/dbraw/zinc/29/72/26/411297226.db2.gz WCNFWKBOPOLXDA-JQWIXIFHSA-N 0 1 239.388 2.277 20 0 BEADMN NC1(c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)CCC1 ZINC000656560883 411300964 /nfs/dbraw/zinc/30/09/64/411300964.db2.gz LATWDQBNIDSMFT-BBBLOLIVSA-N 0 1 233.315 2.311 20 0 BEADMN CC1(C)CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000070260193 167896834 /nfs/dbraw/zinc/89/68/34/167896834.db2.gz FYJMWFWCNBXEBU-CYBMUJFWSA-N 0 1 246.354 2.335 20 0 BEADMN CCc1nc([C@@H](C)N2CCC(C)CC2)n[nH]1 ZINC000659829345 411312759 /nfs/dbraw/zinc/31/27/59/411312759.db2.gz QQBZCXPWRPBLGO-SNVBAGLBSA-N 0 1 222.336 2.160 20 0 BEADMN Cc1cc(CN2CC3(CC(F)C3)C2)ccn1 ZINC000628307249 411332816 /nfs/dbraw/zinc/33/28/16/411332816.db2.gz XDBKRTNABKGHFV-UHFFFAOYSA-N 0 1 220.291 2.324 20 0 BEADMN CC1(C[N@@H+](CCC(=O)[O-])CC2CC2)CCC1 ZINC000652466935 411249997 /nfs/dbraw/zinc/24/99/97/411249997.db2.gz DHJLQGJZXAWQRC-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H]1CC[C@@H]([NH2+]Cc2ncccc2[O-])CS1 ZINC000655768485 411250868 /nfs/dbraw/zinc/25/08/68/411250868.db2.gz FTFITGXQKMIKFW-VHSXEESVSA-N 0 1 238.356 2.161 20 0 BEADMN CC[C@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)OC ZINC000652482299 411253212 /nfs/dbraw/zinc/25/32/12/411253212.db2.gz VYUQDGXTUHVWOT-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN CCn1nncc1CN1C2CCCC1CCC2 ZINC000656447385 411255149 /nfs/dbraw/zinc/25/51/49/411255149.db2.gz LXSZHYOWBAKCNW-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN COc1ccc(C)cc1[C@H](C)NC/C=C\CO ZINC000658131492 411255587 /nfs/dbraw/zinc/25/55/87/411255587.db2.gz CDOKOECEALTMCH-RXNFCKPNSA-N 0 1 235.327 2.203 20 0 BEADMN CO[C@@H]([C@H](C)N[C@H]1CCCn2ccnc21)C1CC1 ZINC000655774082 411256993 /nfs/dbraw/zinc/25/69/93/411256993.db2.gz PJPRYLDKQSPBOY-DRZSPHRISA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H](NC/C=C/CO)c1cc(F)ccc1F ZINC000658133508 411257869 /nfs/dbraw/zinc/25/78/69/411257869.db2.gz MWPGIIUCSDVUQH-HPOULIHZSA-N 0 1 227.254 2.164 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655775092 411257899 /nfs/dbraw/zinc/25/78/99/411257899.db2.gz OKJXVRVXMYCBDV-XQQFMLRXSA-N 0 1 249.358 2.264 20 0 BEADMN C[C@H](NC/C=C\CO)c1cc(F)ccc1F ZINC000658133510 411258635 /nfs/dbraw/zinc/25/86/35/411258635.db2.gz MWPGIIUCSDVUQH-XADBCAIWSA-N 0 1 227.254 2.164 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000656755533 411351354 /nfs/dbraw/zinc/35/13/54/411351354.db2.gz PWXVJHQTPALKLZ-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000304183130 411352473 /nfs/dbraw/zinc/35/24/73/411352473.db2.gz NEBKFKVMIAYKGO-SNVBAGLBSA-N 0 1 247.285 2.218 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2ccc(C)cc2C1 ZINC000656758896 411352580 /nfs/dbraw/zinc/35/25/80/411352580.db2.gz PEDYYTJLNBOLOZ-CYBMUJFWSA-N 0 1 233.311 2.216 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCC2CCC2)C1 ZINC000656756952 411353080 /nfs/dbraw/zinc/35/30/80/411353080.db2.gz PBAAVKVMDOFIEO-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](CC1(C(=O)[O-])CC1)CC2 ZINC000656758962 411353931 /nfs/dbraw/zinc/35/39/31/411353931.db2.gz RBEOHSUYMKXCQT-UHFFFAOYSA-N 0 1 245.322 2.218 20 0 BEADMN Cc1ccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656759280 411355497 /nfs/dbraw/zinc/35/54/97/411355497.db2.gz AOECLLMZIZYYTG-UHFFFAOYSA-N 0 1 231.295 2.044 20 0 BEADMN Cc1ccoc1CN(C)CCO[C@H]1CC1(F)F ZINC000660615731 411355845 /nfs/dbraw/zinc/35/58/45/411355845.db2.gz XKYDZMVYSXCPGH-NSHDSACASA-N 0 1 245.269 2.444 20 0 BEADMN CCc1nc([C@@H](C)N(C)CC(C)(C)C)n[nH]1 ZINC000659871026 411356251 /nfs/dbraw/zinc/35/62/51/411356251.db2.gz LGWOUEMNFYKVJQ-SECBINFHSA-N 0 1 224.352 2.406 20 0 BEADMN CC[C@H]1CN(Cc2cccc(N)c2)[C@H](C)CO1 ZINC000403756344 411358472 /nfs/dbraw/zinc/35/84/72/411358472.db2.gz YVWKAOVLPMREHJ-RISCZKNCSA-N 0 1 234.343 2.268 20 0 BEADMN CCC(=O)CCCN1C[C@H](CC)OC[C@H]1C ZINC000403752385 411358536 /nfs/dbraw/zinc/35/85/36/411358536.db2.gz FSQWPOWMQKYVRJ-YPMHNXCESA-N 0 1 227.348 2.245 20 0 BEADMN CCc1ccc(C)nc1NCc1ccn(C)n1 ZINC000656778260 411358972 /nfs/dbraw/zinc/35/89/72/411358972.db2.gz UQNAYEYQPASNSS-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN c1cc(CN2CCC[C@H](c3ccccn3)C2)on1 ZINC000660628677 411360916 /nfs/dbraw/zinc/36/09/16/411360916.db2.gz VOORJZHIFRACJX-LBPRGKRZSA-N 0 1 243.310 2.449 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCF)[C@@H]2CCCC[C@H]12 ZINC000656767886 411362471 /nfs/dbraw/zinc/36/24/71/411362471.db2.gz WMHUJZVNNHIFHI-IJLUTSLNSA-N 0 1 243.322 2.311 20 0 BEADMN CCC[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000070947175 411370047 /nfs/dbraw/zinc/37/00/47/411370047.db2.gz IPOBSKWBIQNWCK-BDAKNGLRSA-N 0 1 209.293 2.398 20 0 BEADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)o1 ZINC000070947166 411370300 /nfs/dbraw/zinc/37/03/00/411370300.db2.gz PYXVXDMTXOQGPF-MRVPVSSYSA-N 0 1 219.244 2.063 20 0 BEADMN CCc1nc([C@@H](C)N(C)CCC(C)C)n[nH]1 ZINC000659848506 411340681 /nfs/dbraw/zinc/34/06/81/411340681.db2.gz JJNAUUKCMMUENI-SNVBAGLBSA-N 0 1 224.352 2.406 20 0 BEADMN CCC1CCN(Cc2cn(C)cn2)CC1 ZINC000659849801 411342016 /nfs/dbraw/zinc/34/20/16/411342016.db2.gz SXFQSBZGYXEJNV-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1nc2ccccc2o1 ZINC000311086466 168007638 /nfs/dbraw/zinc/00/76/38/168007638.db2.gz NAHHSEBUBXQTAR-GFCCVEGCSA-N 0 1 246.310 2.173 20 0 BEADMN CC1(C)[C@@H]2CN(C(=O)c3cnc(C4CC4)[nH]3)C[C@@H]21 ZINC000336223027 168012117 /nfs/dbraw/zinc/01/21/17/168012117.db2.gz LKBQBNAYOOYKFY-AOOOYVTPSA-N 0 1 245.326 2.015 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cscn3)C[C@@H]21 ZINC000172954366 168013171 /nfs/dbraw/zinc/01/31/71/168013171.db2.gz ATPIMUFRCXHMBH-AOOOYVTPSA-N 0 1 208.330 2.231 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3ccncc3F)C[C@@H]21 ZINC000336227148 168013727 /nfs/dbraw/zinc/01/37/27/168013727.db2.gz GYLOJSBKRYGYEI-PHIMTYICSA-N 0 1 220.291 2.309 20 0 BEADMN CC1(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000280110487 168019291 /nfs/dbraw/zinc/01/92/91/168019291.db2.gz ROSUQJBYWHYTSH-SNVBAGLBSA-N 0 1 247.342 2.136 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCF)C1 ZINC000656762308 411346197 /nfs/dbraw/zinc/34/61/97/411346197.db2.gz CIMDSQJHWGJHGY-WDEREUQCSA-N 0 1 231.311 2.311 20 0 BEADMN CCN(Cc1cc(C2CC2)no1)C[C@H](C)OC ZINC000660596643 411346292 /nfs/dbraw/zinc/34/62/92/411346292.db2.gz HSCURDBFBPCFDT-JTQLQIEISA-N 0 1 238.331 2.409 20 0 BEADMN CCc1cccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1 ZINC000656761521 411346455 /nfs/dbraw/zinc/34/64/55/411346455.db2.gz VYYWRKGHSZDGTD-UHFFFAOYSA-N 0 1 245.322 2.298 20 0 BEADMN CC1(CNC(=O)[C@@H](N)c2ccccc2)CCCC1 ZINC000111622307 168034383 /nfs/dbraw/zinc/03/43/83/168034383.db2.gz QKWZMJJWQKZRIN-ZDUSSCGKSA-N 0 1 246.354 2.383 20 0 BEADMN CC1(CNC(=O)c2coc(CN)c2)CCCC1 ZINC000187734951 168039543 /nfs/dbraw/zinc/03/95/43/168039543.db2.gz ZCWOHMMVMMXYFB-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])C[C@H](C)O1 ZINC000656766502 411348213 /nfs/dbraw/zinc/34/82/13/411348213.db2.gz WBPJWJUHLMGJPC-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CC1(NC(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000372212780 168058144 /nfs/dbraw/zinc/05/81/44/168058144.db2.gz RLAOPULDRQOABJ-JTQLQIEISA-N 0 1 248.330 2.029 20 0 BEADMN CC1(NC(=O)c2[nH]nc3c2CCCCC3)CCC1 ZINC000190866499 168062248 /nfs/dbraw/zinc/06/22/48/168062248.db2.gz PTGMHGIMMMJAOE-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1ncn(C)n1 ZINC000276747542 168104219 /nfs/dbraw/zinc/10/42/19/168104219.db2.gz LHPARKYFNUPIRE-AVGNSLFASA-N 0 1 248.374 2.458 20 0 BEADMN CC1=CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000229824835 168108174 /nfs/dbraw/zinc/10/81/74/168108174.db2.gz KDHSTLDNQBHNDF-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000290312042 168123791 /nfs/dbraw/zinc/12/37/91/168123791.db2.gz AQRQFTQLOINFNP-ZYHUDNBSSA-N 0 1 234.347 2.229 20 0 BEADMN CC1CCC(CC(=O)NCCN2CCC2)CC1 ZINC000337305038 168152294 /nfs/dbraw/zinc/15/22/94/168152294.db2.gz SRATWANTSVQBQQ-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC1CCC(N(C)c2ncnc3[nH]cnc32)CC1 ZINC000047509589 168160568 /nfs/dbraw/zinc/16/05/68/168160568.db2.gz OFEBAPYQALBZAZ-UHFFFAOYSA-N 0 1 245.330 2.368 20 0 BEADMN CN(Cc1ccccn1)C[C@@]1(C)CCCCO1 ZINC001652168564 1173039739 /nfs/dbraw/zinc/03/97/39/1173039739.db2.gz YZGKUWDLXDAYBD-CQSZACIVSA-N 0 1 234.343 2.473 20 0 BEADMN CCC(=O)CCN1CCOC2(CCCC2)C1 ZINC000373801057 168202912 /nfs/dbraw/zinc/20/29/12/168202912.db2.gz QQHMNPYJKZKRNC-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN C[C@@H](C(=O)NC[C@H]1CCCC(C)(C)C1)N(C)C ZINC000654408412 411390786 /nfs/dbraw/zinc/39/07/86/411390786.db2.gz QCDJNIFIGBUUEX-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356883303 168271876 /nfs/dbraw/zinc/27/18/76/168271876.db2.gz QDQVYIDUQDJLRN-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)N(C)CC(=O)OC(C)(C)C ZINC000312932484 168285699 /nfs/dbraw/zinc/28/56/99/168285699.db2.gz KBHJTRVPPRUXCH-UHFFFAOYSA-N 0 1 215.337 2.449 20 0 BEADMN CCC(C)(C)N(C)CC(=O)c1cccn1C ZINC000069000187 168286333 /nfs/dbraw/zinc/28/63/33/168286333.db2.gz AJOJPDIRORJMEW-UHFFFAOYSA-N 0 1 222.332 2.328 20 0 BEADMN CC(C)=CCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000659789055 411454962 /nfs/dbraw/zinc/45/49/62/411454962.db2.gz PPIWEFBSUDJONV-QWHCGFSZSA-N 0 1 237.343 2.385 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C ZINC000339570440 168295627 /nfs/dbraw/zinc/29/56/27/168295627.db2.gz YEIIBGQCMFAZOQ-DCAQKATOSA-N 0 1 226.364 2.020 20 0 BEADMN CCC(C)(CC)NC(=O)CCc1cnc[nH]1 ZINC000189004438 168307068 /nfs/dbraw/zinc/30/70/68/168307068.db2.gz OCDPDHQDJZHGCG-UHFFFAOYSA-N 0 1 223.320 2.037 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659800594 411457734 /nfs/dbraw/zinc/45/77/34/411457734.db2.gz WDHLFAGKGAVIAR-WPRPVWTQSA-N 0 1 237.324 2.288 20 0 BEADMN CC(C)=CCC[N@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801303 411457769 /nfs/dbraw/zinc/45/77/69/411457769.db2.gz DSNUULUNXPHPNC-PHIMTYICSA-N 0 1 211.305 2.138 20 0 BEADMN C[N@@H+](CCC(C)(C)C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801799 411457946 /nfs/dbraw/zinc/45/79/46/411457946.db2.gz KHRMLKLAKUBIEI-AOOOYVTPSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000659799946 411458008 /nfs/dbraw/zinc/45/80/08/411458008.db2.gz LBYQVMYSEWIKQN-DGCLKSJQSA-N 0 1 231.295 2.227 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000659799945 411458414 /nfs/dbraw/zinc/45/84/14/411458414.db2.gz LBYQVMYSEWIKQN-AAEUAGOBSA-N 0 1 231.295 2.227 20 0 BEADMN O=C([O-])C1(C[N@@H+](CCC2CC2)CC2CC2)CC1 ZINC000659803896 411458697 /nfs/dbraw/zinc/45/86/97/411458697.db2.gz PJSLOQFZIZZJRT-UHFFFAOYSA-N 0 1 237.343 2.363 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802839 411459286 /nfs/dbraw/zinc/45/92/86/411459286.db2.gz XXLLDYCXSVCZTD-NEPJUHHUSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000657325677 411464485 /nfs/dbraw/zinc/46/44/85/411464485.db2.gz BPLVOZODKDPKHV-CZULRBLNSA-N 0 1 221.304 2.217 20 0 BEADMN FC(F)(F)CN1CCN(CC2CC=CC2)CC1 ZINC000659811528 411460093 /nfs/dbraw/zinc/46/00/93/411460093.db2.gz LGRFQDBGSGZRID-UHFFFAOYSA-N 0 1 248.292 2.133 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@@H](C)CC(C)C ZINC000638284063 411460961 /nfs/dbraw/zinc/46/09/61/411460961.db2.gz ZKZBKBZRWJGCCE-JTQLQIEISA-N 0 1 238.331 2.211 20 0 BEADMN CN(Cc1ccco1)[C@H]1COC(C)(C)C1 ZINC000659815111 411461005 /nfs/dbraw/zinc/46/10/05/411461005.db2.gz AKWKTMHUEFGXFP-SNVBAGLBSA-N 0 1 209.289 2.279 20 0 BEADMN CC(C)C1CCN(Cc2cn(C)cn2)CC1 ZINC000659955588 411398453 /nfs/dbraw/zinc/39/84/53/411398453.db2.gz BTSVOIFRPXJRAP-UHFFFAOYSA-N 0 1 221.348 2.288 20 0 BEADMN CCCCN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC000654458568 411400111 /nfs/dbraw/zinc/40/01/11/411400111.db2.gz JVMJZSZNKQYGAK-LLVKDONJSA-N 0 1 249.358 2.379 20 0 BEADMN CCCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CC1 ZINC000654458569 411400247 /nfs/dbraw/zinc/40/02/47/411400247.db2.gz JVMJZSZNKQYGAK-NSHDSACASA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)CCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000654470785 411401200 /nfs/dbraw/zinc/40/12/00/411401200.db2.gz ULKWIEBJCJDIGI-LLVKDONJSA-N 0 1 237.347 2.093 20 0 BEADMN Cc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cn1 ZINC000657215775 411419569 /nfs/dbraw/zinc/41/95/69/411419569.db2.gz ZVRVWKNEKPZCNV-KGLIPLIRSA-N 0 1 232.327 2.001 20 0 BEADMN CCc1ccc(CN2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657214812 411419620 /nfs/dbraw/zinc/41/96/20/411419620.db2.gz HFXHFAZABQCHQY-RISCZKNCSA-N 0 1 235.327 2.453 20 0 BEADMN CCN1C(=O)N=NC1SCC1CC=CC1 ZINC000657235167 411423615 /nfs/dbraw/zinc/42/36/15/411423615.db2.gz YZTXBXDEZVMCGT-UHFFFAOYSA-N 0 1 225.317 2.062 20 0 BEADMN CC1(C)C[C@@H](Sc2nc(C3CC3)n[nH]2)CO1 ZINC000657242302 411424569 /nfs/dbraw/zinc/42/45/69/411424569.db2.gz DEWUOXWFPAVRKF-MRVPVSSYSA-N 0 1 239.344 2.342 20 0 BEADMN CC1(C)C[C@@H](Sc2n[nH]c(C3CC3)n2)CO1 ZINC000657242302 411424571 /nfs/dbraw/zinc/42/45/71/411424571.db2.gz DEWUOXWFPAVRKF-MRVPVSSYSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@@H](C(=O)N[C@@]1(C)CCCC[C@H]1C)N(C)C ZINC000654671856 411427305 /nfs/dbraw/zinc/42/73/05/411427305.db2.gz YGLOSQBNGFDNMM-MDZLAQPJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cccc(N(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC000654698638 411432209 /nfs/dbraw/zinc/43/22/09/411432209.db2.gz WKZMTNMBQRSXJR-ZDUSSCGKSA-N 0 1 246.354 2.300 20 0 BEADMN c1n[nH]nc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000657252289 411435135 /nfs/dbraw/zinc/43/51/35/411435135.db2.gz XGQYTSRCEFSZFY-HRDYMLBCSA-N 0 1 209.318 2.333 20 0 BEADMN CO[C@@H](CSc1cn[nH]n1)C1CCCC1 ZINC000657251907 411435217 /nfs/dbraw/zinc/43/52/17/411435217.db2.gz MTKHDWBMXIVYHK-VIFPVBQESA-N 0 1 227.333 2.102 20 0 BEADMN CC[C@@H]1CCCN(Cc2cc(OC)no2)C1 ZINC000659824984 411463703 /nfs/dbraw/zinc/46/37/03/411463703.db2.gz KFWUTUPZLWGGGP-SNVBAGLBSA-N 0 1 224.304 2.305 20 0 BEADMN CC(C)NCc1c(F)cncc1Br ZINC000657287511 411446800 /nfs/dbraw/zinc/44/68/00/411446800.db2.gz PFKGQCVPSUWDQP-UHFFFAOYSA-N 0 1 247.111 2.481 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H]3CCC[C@@H]32)on1 ZINC000653625644 411450203 /nfs/dbraw/zinc/45/02/03/411450203.db2.gz LIEVNZNOCOAGBR-GWCFXTLKSA-N 0 1 234.299 2.252 20 0 BEADMN Cc1c[nH]c(CNCCOc2ccc(C)cc2)n1 ZINC000657289939 411451222 /nfs/dbraw/zinc/45/12/22/411451222.db2.gz VJUCTZCYTGJTGB-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN C[N@@H+](CC[C@H]1CCc2ccccc21)CC(=O)[O-] ZINC000659787558 411454370 /nfs/dbraw/zinc/45/43/70/411454370.db2.gz CKTUPBDRKIODMS-GFCCVEGCSA-N 0 1 233.311 2.123 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1C1CC1 ZINC000659788633 411454528 /nfs/dbraw/zinc/45/45/28/411454528.db2.gz LEEWVSPDRMVBEY-QWHCGFSZSA-N 0 1 237.343 2.219 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000659786512 411454788 /nfs/dbraw/zinc/45/47/88/411454788.db2.gz QAWUVZVFSRQIMI-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CC(C)n1ccnc1CNC[C@@H]1CCCCO1 ZINC000657329646 411467364 /nfs/dbraw/zinc/46/73/64/411467364.db2.gz UCKINMAGUHMFGJ-LBPRGKRZSA-N 0 1 237.347 2.123 20 0 BEADMN COc1cc(CN2CCCCCC2)on1 ZINC000659832477 411467542 /nfs/dbraw/zinc/46/75/42/411467542.db2.gz SSIOTSKYNCWMPU-UHFFFAOYSA-N 0 1 210.277 2.059 20 0 BEADMN Cc1cc(CN2CCCCC2)nc(C)n1 ZINC000659832930 411468096 /nfs/dbraw/zinc/46/80/96/411468096.db2.gz FAZNSTMIEJDCFY-UHFFFAOYSA-N 0 1 205.305 2.079 20 0 BEADMN CC(C)n1ccnc1CNC[C@@H]1CC[C@H](C)O1 ZINC000657489386 411532737 /nfs/dbraw/zinc/53/27/37/411532737.db2.gz NRDOBBDNOOCGBX-RYUDHWBXSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1cc(CN(C)CC2CC=CC2)no1 ZINC000659838797 411470960 /nfs/dbraw/zinc/47/09/60/411470960.db2.gz RURBOVZKBONTTC-UHFFFAOYSA-N 0 1 206.289 2.381 20 0 BEADMN CCC(C)(C)OCCNCc1nc(C)c[nH]1 ZINC000657489619 411532772 /nfs/dbraw/zinc/53/27/72/411532772.db2.gz SIBLMHMXWQQQHE-UHFFFAOYSA-N 0 1 225.336 2.013 20 0 BEADMN Cc1nocc1CN1CCS[C@H](C)[C@H]1C ZINC000295438067 411477753 /nfs/dbraw/zinc/47/77/53/411477753.db2.gz UHFFGNNSRSJIFQ-NXEZZACHSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1nocc1CN1CCS[C@@H](C)[C@H]1C ZINC000295438075 411477847 /nfs/dbraw/zinc/47/78/47/411477847.db2.gz UHFFGNNSRSJIFQ-ZJUUUORDSA-N 0 1 226.345 2.309 20 0 BEADMN CCC[C@](C)(CO)NCc1nccn1C(C)C ZINC000657367649 411480639 /nfs/dbraw/zinc/48/06/39/411480639.db2.gz RSPZFOGAORVNFV-CYBMUJFWSA-N 0 1 239.363 2.105 20 0 BEADMN FC(F)CN1CCN(CCCC2CCC2)CC1 ZINC000659861559 411481880 /nfs/dbraw/zinc/48/18/80/411481880.db2.gz WXDNVNDAPJQXHZ-UHFFFAOYSA-N 0 1 246.345 2.449 20 0 BEADMN CC[C@@H]1C[C@H](NCc2ccn(C(C)C)n2)CO1 ZINC000657371162 411484426 /nfs/dbraw/zinc/48/44/26/411484426.db2.gz OTVIUYORQVYKTG-QWHCGFSZSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1c[nH]c(CN[C@@H](C)Cc2c(C)noc2C)n1 ZINC000657371210 411484976 /nfs/dbraw/zinc/48/49/76/411484976.db2.gz QGZBDTPVXPOSPX-QMMMGPOBSA-N 0 1 248.330 2.044 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CC12CC2 ZINC000657494635 411533381 /nfs/dbraw/zinc/53/33/81/411533381.db2.gz CMWUKJXHMSXHMG-JTQLQIEISA-N 0 1 205.305 2.106 20 0 BEADMN CC(C)c1cccc(CN2CCNC(=O)CC2)c1 ZINC000659878471 411488512 /nfs/dbraw/zinc/48/85/12/411488512.db2.gz MLWMCTBCEJTWIA-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN OC[C@@H]1CCCN1Cc1nsc2ccccc21 ZINC000659880541 411489729 /nfs/dbraw/zinc/48/97/29/411489729.db2.gz QIBXIZGJKHOINX-JTQLQIEISA-N 0 1 248.351 2.253 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@@H](CO)CC2)o1 ZINC000336431773 411493402 /nfs/dbraw/zinc/49/34/02/411493402.db2.gz UGATZOWMMJOXCI-VXGBXAGGSA-N 0 1 238.331 2.138 20 0 BEADMN Cc1c[nH]c(CNc2ccc3c(c2)CN(C)C3)n1 ZINC000657406129 411493707 /nfs/dbraw/zinc/49/37/07/411493707.db2.gz UIPBXVYEIMSBDA-UHFFFAOYSA-N 0 1 242.326 2.276 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1nc(C)c[nH]1)C1CC1 ZINC000657490581 411533950 /nfs/dbraw/zinc/53/39/50/411533950.db2.gz KYPQQCYNWMHSFZ-ZWNOBZJWSA-N 0 1 237.347 2.011 20 0 BEADMN COc1cc(CN2CC[C@@H](c3ccco3)C2)on1 ZINC000659914764 411497152 /nfs/dbraw/zinc/49/71/52/411497152.db2.gz CDXXRBPFLJZARC-SNVBAGLBSA-N 0 1 248.282 2.266 20 0 BEADMN CC1(C)C[C@H](N2CCc3ccc(O)cc3C2)CO1 ZINC000660078623 411534017 /nfs/dbraw/zinc/53/40/17/411534017.db2.gz XFAMKFDKIIUGAG-ZDUSSCGKSA-N 0 1 247.338 2.318 20 0 BEADMN C/C=C/C=C/c1nc([C@H]2CCCN2)no1 ZINC000309480853 411497677 /nfs/dbraw/zinc/49/76/77/411497677.db2.gz DNCIUJOUKVGAJG-CQNPADEBSA-N 0 1 205.261 2.083 20 0 BEADMN C/C=C/C=C\c1nc([C@@H]2CCCN2)no1 ZINC000309480857 411497691 /nfs/dbraw/zinc/49/76/91/411497691.db2.gz DNCIUJOUKVGAJG-YXWLDPKDSA-N 0 1 205.261 2.083 20 0 BEADMN OC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C2CC2)no1 ZINC000659921864 411498826 /nfs/dbraw/zinc/49/88/26/411498826.db2.gz YLDUQAFETQFLGL-FOSCPWQOSA-N 0 1 248.326 2.040 20 0 BEADMN CC(C)=CCCN(CC(N)=O)Cc1ccccc1 ZINC000659923432 411499314 /nfs/dbraw/zinc/49/93/14/411499314.db2.gz WMPBCNUBVQPZTI-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659921482 411499533 /nfs/dbraw/zinc/49/95/33/411499533.db2.gz ROQIWUBFPNGWFO-UTUOFQBUSA-N 0 1 219.332 2.278 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C1CCC1 ZINC000655129018 411500714 /nfs/dbraw/zinc/50/07/14/411500714.db2.gz KLCHUCJPAASXFY-SNVBAGLBSA-N 0 1 249.358 2.283 20 0 BEADMN CO[C@@H](CN(C)Cc1cnccn1)C1CCCC1 ZINC000659990782 411521590 /nfs/dbraw/zinc/52/15/90/411521590.db2.gz GYCOOZREFCEMEC-AWEZNQCLSA-N 0 1 249.358 2.114 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C(C)C)C2)[nH]1 ZINC000659995333 411523883 /nfs/dbraw/zinc/52/38/83/411523883.db2.gz BRDMPTDHUOYQQT-WDEREUQCSA-N 0 1 236.363 2.406 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](CC)C2)[nH]1 ZINC000659997565 411524218 /nfs/dbraw/zinc/52/42/18/411524218.db2.gz SSQISNNZWHWQPO-VHSXEESVSA-N 0 1 222.336 2.160 20 0 BEADMN CCc1nc(C)c(CN[C@H]2CO[C@H](CC)C2)o1 ZINC000657473971 411524236 /nfs/dbraw/zinc/52/42/36/411524236.db2.gz WXEQOGVFQZPHQL-GHMZBOCLSA-N 0 1 238.331 2.203 20 0 BEADMN Cc1c[nH]c(CNCC2=CCCCC2)n1 ZINC000657477239 411525208 /nfs/dbraw/zinc/52/52/08/411525208.db2.gz JQPQJMDQKMHFPP-UHFFFAOYSA-N 0 1 205.305 2.308 20 0 BEADMN CC(C)n1ccnc1CN[C@H](C)CC(C)(C)O ZINC000657479441 411528033 /nfs/dbraw/zinc/52/80/33/411528033.db2.gz KEHZBTYHGRTRPZ-LLVKDONJSA-N 0 1 239.363 2.103 20 0 BEADMN COc1c(C)cccc1CNCc1cncn1C ZINC000655832691 411529479 /nfs/dbraw/zinc/52/94/79/411529479.db2.gz ZMRBKCVAPJXGAX-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000328224428 170014682 /nfs/dbraw/zinc/01/46/82/170014682.db2.gz ZOKHUFOIKTUQLU-CQSZACIVSA-N 0 1 231.295 2.116 20 0 BEADMN Cc1c[nH]c(CN[C@@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000657504911 411539308 /nfs/dbraw/zinc/53/93/08/411539308.db2.gz LBQZQBWNWOZHLV-OCCSQVGLSA-N 0 1 249.358 2.155 20 0 BEADMN CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccccn1 ZINC000657525583 411542663 /nfs/dbraw/zinc/54/26/63/411542663.db2.gz ZAQCBCFDEWLETC-CYBMUJFWSA-N 0 1 233.359 2.044 20 0 BEADMN CCNC(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000035142150 170064411 /nfs/dbraw/zinc/06/44/11/170064411.db2.gz HJDDCGRRMMKZAD-JTQLQIEISA-N 0 1 246.310 2.220 20 0 BEADMN CCNC(=O)CN[C@H](C)c1ccc(Cl)cc1 ZINC000084499582 170065815 /nfs/dbraw/zinc/06/58/15/170065815.db2.gz BBXLYJJXHOUHIG-SECBINFHSA-N 0 1 240.734 2.127 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1COC(C)(C)C1 ZINC000657531052 411543972 /nfs/dbraw/zinc/54/39/72/411543972.db2.gz HNZLBKCDPBRVAH-NSHDSACASA-N 0 1 237.347 2.121 20 0 BEADMN CCNC(=O)[C@@H](C)NCc1cc(Cl)cs1 ZINC000086332378 170088083 /nfs/dbraw/zinc/08/80/83/170088083.db2.gz BPVZHNQOWIAMOD-SSDOTTSWSA-N 0 1 246.763 2.016 20 0 BEADMN CCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000264109140 170091858 /nfs/dbraw/zinc/09/18/58/170091858.db2.gz OIAUNSMKDRUJIP-CYBMUJFWSA-N 0 1 234.343 2.206 20 0 BEADMN CCNC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000035138863 170096022 /nfs/dbraw/zinc/09/60/22/170096022.db2.gz WLLLEPLXSBEGED-ZJUUUORDSA-N 0 1 238.306 2.001 20 0 BEADMN CC[NH2+]Cc1cccc([O-])c1Br ZINC000306266852 170128209 /nfs/dbraw/zinc/12/82/09/170128209.db2.gz GNGGMNYLGJZXEE-UHFFFAOYSA-N 0 1 230.105 2.264 20 0 BEADMN CC(C)CCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000657569410 411553640 /nfs/dbraw/zinc/55/36/40/411553640.db2.gz MPPQZRJUZRSIGG-WDEREUQCSA-N 0 1 222.336 2.310 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@@H](C)[C@@H](F)C2)n[nH]1 ZINC000660221659 411555746 /nfs/dbraw/zinc/55/57/46/411555746.db2.gz QEFSVRCEILNLMY-UTLUCORTSA-N 0 1 240.326 2.108 20 0 BEADMN CC(C)Oc1ccccc1CNC/C=C\CO ZINC000657592144 411556418 /nfs/dbraw/zinc/55/64/18/411556418.db2.gz REXSUTZYNMOFKF-WAYWQWQTSA-N 0 1 235.327 2.112 20 0 BEADMN Cc1nc(CN2CCC3(CC3)CC2)co1 ZINC000660145463 411545621 /nfs/dbraw/zinc/54/56/21/411545621.db2.gz VKZLNYKSNWTGDS-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCC(C)C ZINC000112356442 170186628 /nfs/dbraw/zinc/18/66/28/170186628.db2.gz BZUMIDZIGVWLNE-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@@H]1[C@@H](C)N(Cc2cc(C3CC3)no2)CCN1C ZINC000660167205 411550334 /nfs/dbraw/zinc/55/03/34/411550334.db2.gz CRDOASFAZGMVBZ-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN CCOC(=O)CN(C)C1CCC(CC)CC1 ZINC000042516226 170213531 /nfs/dbraw/zinc/21/35/31/170213531.db2.gz YWJVRAYKRRPQDN-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCCC[C@@H]1CC ZINC000104383792 170216085 /nfs/dbraw/zinc/21/60/85/170216085.db2.gz AZYMREFGCFHQGJ-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000042608440 170216309 /nfs/dbraw/zinc/21/63/09/170216309.db2.gz OGZCVDXTJSNBJN-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CN(CC)C1CCCCC1 ZINC000020361085 170216999 /nfs/dbraw/zinc/21/69/99/170216999.db2.gz RDLANXWJSTTZAS-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCOC(=O)CN(CC1(C)CCC1)C(C)C ZINC000309415345 170217057 /nfs/dbraw/zinc/21/70/57/170217057.db2.gz XGHFYTJCLLDVKN-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000341887174 170218564 /nfs/dbraw/zinc/21/85/64/170218564.db2.gz XZSBRQMLTWELMX-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN CCOC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000035174355 170219623 /nfs/dbraw/zinc/21/96/23/170219623.db2.gz PRMDOSWPEJIITI-RYUDHWBXSA-N 0 1 225.332 2.204 20 0 BEADMN OC/C=C/CNCc1cccc(Cl)c1F ZINC000657591862 411556940 /nfs/dbraw/zinc/55/69/40/411556940.db2.gz BTMOFWZYOVWDGK-OWOJBTEDSA-N 0 1 229.682 2.117 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660237556 411557564 /nfs/dbraw/zinc/55/75/64/411557564.db2.gz BFVMIJRJKIMFFP-FRRDWIJNSA-N 0 1 248.374 2.073 20 0 BEADMN Cc1ccncc1CCNCc1cscn1 ZINC000657587331 411558125 /nfs/dbraw/zinc/55/81/25/411558125.db2.gz BGAGTXAYXHGQDR-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN OC/C=C\CNCc1cnc(C2CCC2)s1 ZINC000657593799 411559868 /nfs/dbraw/zinc/55/98/68/411559868.db2.gz WFAVNQYAMOALFI-UPHRSURJSA-N 0 1 238.356 2.049 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1 ZINC000128512116 170258137 /nfs/dbraw/zinc/25/81/37/170258137.db2.gz NVOVPKPRPKHGOC-RYUDHWBXSA-N 0 1 223.316 2.123 20 0 BEADMN Cc1ccc(CNC/C=C\CO)c(Cl)c1 ZINC000657595046 411560571 /nfs/dbraw/zinc/56/05/71/411560571.db2.gz WHCDDNRHJYELLJ-IHWYPQMZSA-N 0 1 225.719 2.287 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000354024268 170266290 /nfs/dbraw/zinc/26/62/90/170266290.db2.gz MOKMWBRXUTXNQJ-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H](NCc1coc(C)n1)[C@@H]1CCCO1 ZINC000660260098 411561269 /nfs/dbraw/zinc/56/12/69/411561269.db2.gz SESHSGCDOGENGU-RYUDHWBXSA-N 0 1 224.304 2.030 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CCCSC ZINC000300767023 170271608 /nfs/dbraw/zinc/27/16/08/170271608.db2.gz USNPLSDOZNMMED-JTQLQIEISA-N 0 1 233.377 2.013 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660270412 411562976 /nfs/dbraw/zinc/56/29/76/411562976.db2.gz BGYLWWOYQYDNDM-BBHBSTQDSA-N 0 1 221.304 2.075 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CCCCF ZINC000336672393 170280218 /nfs/dbraw/zinc/28/02/18/170280218.db2.gz SLERCRAFIUECTD-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC[C@H]2C)o1 ZINC000124390465 170295134 /nfs/dbraw/zinc/29/51/34/170295134.db2.gz PCNSMGALTQJLLZ-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN COC[C@@H]1CCCCN(Cc2coc(C)n2)C1 ZINC000660292156 411565794 /nfs/dbraw/zinc/56/57/94/411565794.db2.gz FIJVAAMHEYZOIF-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CCOC(=O)c1coc(CN(CC)C2CC2)c1 ZINC000353444703 170304675 /nfs/dbraw/zinc/30/46/75/170304675.db2.gz CETNUMKGCJAAOJ-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CCOC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000285336256 170313870 /nfs/dbraw/zinc/31/38/70/170313870.db2.gz UNHZAEFIPXDTFJ-SNVBAGLBSA-N 0 1 226.320 2.449 20 0 BEADMN CCOC1CC(N(C)Cc2cnc(C)s2)C1 ZINC000284390906 170327688 /nfs/dbraw/zinc/32/76/88/170327688.db2.gz VTROZAKNJYOZJZ-UHFFFAOYSA-N 0 1 240.372 2.451 20 0 BEADMN C[C@@]1(CCNCc2cocn2)CC1(F)F ZINC000657671287 411575367 /nfs/dbraw/zinc/57/53/67/411575367.db2.gz SKCAAOOBHONBHZ-SECBINFHSA-N 0 1 216.231 2.200 20 0 BEADMN C[C@@H]1CCC[C@H](CNCc2nccs2)O1 ZINC000657662702 411575662 /nfs/dbraw/zinc/57/56/62/411575662.db2.gz FRJDDLGIFIWAST-NXEZZACHSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@H]1CCC[C@@H](CNCc2nccs2)O1 ZINC000657662703 411575783 /nfs/dbraw/zinc/57/57/83/411575783.db2.gz FRJDDLGIFIWAST-UWVGGRQHSA-N 0 1 226.345 2.190 20 0 BEADMN CCOCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091826615 170362952 /nfs/dbraw/zinc/36/29/52/170362952.db2.gz JUQHZRSYHGMRIN-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CCOCCCCN[C@@H](C)c1cc(C)on1 ZINC000284177789 170369596 /nfs/dbraw/zinc/36/95/96/170369596.db2.gz QVBHOSQAPXJCKS-NSHDSACASA-N 0 1 226.320 2.450 20 0 BEADMN CCOCCCN=c1[nH]c(C(F)F)cs1 ZINC000336764164 170376020 /nfs/dbraw/zinc/37/60/20/170376020.db2.gz PRSXSGAZGNVISK-UHFFFAOYSA-N 0 1 236.287 2.341 20 0 BEADMN CO[C@@H](CN1CCC(=O)[C@H](C)C1)C1CCCC1 ZINC000660322594 411569160 /nfs/dbraw/zinc/56/91/60/411569160.db2.gz MDIOWPUUMRGYND-RISCZKNCSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1cc(C[N@H+]2CC3CC2(C)C3)oc1C(=O)[O-] ZINC000663316202 411623150 /nfs/dbraw/zinc/62/31/50/411623150.db2.gz UHGSTOHJQZMHSY-UHFFFAOYSA-N 0 1 235.283 2.271 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C1CC1 ZINC000663317610 411623403 /nfs/dbraw/zinc/62/34/03/411623403.db2.gz NMETWGVJDJUWHS-KLIAIHJMSA-N 0 1 249.354 2.075 20 0 BEADMN OCC1(N(Cc2cncs2)C2CC2)CCC1 ZINC000660773117 411624268 /nfs/dbraw/zinc/62/42/68/411624268.db2.gz ZGALQLYNRXFBKB-UHFFFAOYSA-N 0 1 238.356 2.023 20 0 BEADMN FCCOCCNCc1cscc1Cl ZINC000663342044 411631066 /nfs/dbraw/zinc/63/10/66/411631066.db2.gz VMVFJTXRIOLFHB-UHFFFAOYSA-N 0 1 237.727 2.477 20 0 BEADMN CCOCCNCc1cc(F)c(F)cc1F ZINC000124228677 170412905 /nfs/dbraw/zinc/41/29/05/170412905.db2.gz FVGFUTJIIBBONH-UHFFFAOYSA-N 0 1 233.233 2.230 20 0 BEADMN C[C@@H](NCC1CC=CC1)c1csnn1 ZINC000660810072 411642382 /nfs/dbraw/zinc/64/23/82/411642382.db2.gz ZBOQDDORXMVVLV-MRVPVSSYSA-N 0 1 209.318 2.155 20 0 BEADMN CC[C@]1(CO)CCCN1Cc1nc(C)oc1C ZINC000660378871 411576234 /nfs/dbraw/zinc/57/62/34/411576234.db2.gz NSQDKPSMYBGKFG-CYBMUJFWSA-N 0 1 238.331 2.028 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000660446982 411586356 /nfs/dbraw/zinc/58/63/56/411586356.db2.gz VXNAMSQGXKHCBS-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)nn1C ZINC000657739658 411588676 /nfs/dbraw/zinc/58/86/76/411588676.db2.gz VMGXPRMKHHJXFZ-SNVBAGLBSA-N 0 1 243.301 2.109 20 0 BEADMN Cc1cc(CN2CCC=C(C)C2)nc(C)n1 ZINC000660461509 411589084 /nfs/dbraw/zinc/58/90/84/411589084.db2.gz FKESBTQFNUAKJG-UHFFFAOYSA-N 0 1 217.316 2.245 20 0 BEADMN Cc1nc(CNCC2=CCCC2)[nH]c1C ZINC000657749702 411592040 /nfs/dbraw/zinc/59/20/40/411592040.db2.gz JMQNZCALOWQEAO-UHFFFAOYSA-N 0 1 205.305 2.226 20 0 BEADMN CO[C@@H](CN1CCOCC12CC2)C1CCCC1 ZINC000660488998 411593192 /nfs/dbraw/zinc/59/31/92/411593192.db2.gz KBRFJTBAVVPAET-ZDUSSCGKSA-N 0 1 239.359 2.056 20 0 BEADMN CCOc1ccccc1CN[C@@H]1C[C@]1(C)OC ZINC000657789376 411596675 /nfs/dbraw/zinc/59/66/75/411596675.db2.gz PPIGHFRMHMVQCI-KGLIPLIRSA-N 0 1 235.327 2.352 20 0 BEADMN COc1ccc(F)c(CN[C@@H]2C[C@]2(C)OC)c1 ZINC000657790104 411596909 /nfs/dbraw/zinc/59/69/09/411596909.db2.gz NFHRSTTYQFEBOU-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN CC(C)=CCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000660537978 411597099 /nfs/dbraw/zinc/59/70/99/411597099.db2.gz HNBAFLXCJPFNBV-KBPBESRZSA-N 0 1 239.359 2.223 20 0 BEADMN CC(C)n1cc(CNCCCc2ccco2)nn1 ZINC000657782115 411598445 /nfs/dbraw/zinc/59/84/45/411598445.db2.gz JAJCPQMNNSWCAF-UHFFFAOYSA-N 0 1 248.330 2.174 20 0 BEADMN C[C@@H]1CN(C)C[C@H]1NCC(F)(F)C(C)(C)C ZINC000657794664 411599541 /nfs/dbraw/zinc/59/95/41/411599541.db2.gz ZQFMMPALLGOBAT-NXEZZACHSA-N 0 1 234.334 2.208 20 0 BEADMN Cc1cn[nH]c1CNCC(F)(F)C(C)(C)C ZINC000657794582 411599704 /nfs/dbraw/zinc/59/97/04/411599704.db2.gz XMDNXKYTTTZQFJ-UHFFFAOYSA-N 0 1 231.290 2.489 20 0 BEADMN O[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000657809030 411601776 /nfs/dbraw/zinc/60/17/76/411601776.db2.gz DMWVSDDPYBHHHI-MGCOHNPYSA-N 0 1 229.682 2.092 20 0 BEADMN C[C@H](O)[C@H](NCc1cccnc1)c1ccccc1 ZINC000657814322 411604019 /nfs/dbraw/zinc/60/40/19/411604019.db2.gz DVVFXROUYDSGPO-WFASDCNBSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccncc1 ZINC000657819765 411605806 /nfs/dbraw/zinc/60/58/06/411605806.db2.gz YTUWTYGNEIAMKV-WCQYABFASA-N 0 1 242.326 2.464 20 0 BEADMN C[C@H](O)[C@@H](NCc1ccncc1)c1ccccc1 ZINC000657820530 411607157 /nfs/dbraw/zinc/60/71/57/411607157.db2.gz XEEYDWZYDGKQHQ-SWLSCSKDSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@@H](O)[C@H](NCc1ccncc1)c1ccccc1 ZINC000657820528 411607199 /nfs/dbraw/zinc/60/71/99/411607199.db2.gz XEEYDWZYDGKQHQ-DOMZBBRYSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@@H](N[C@@H]1CCCn2nccc21)c1cccnc1 ZINC000657825109 411607724 /nfs/dbraw/zinc/60/77/24/411607724.db2.gz MBGLHCDDKHEJPA-DGCLKSJQSA-N 0 1 242.326 2.464 20 0 BEADMN c1nc(CN2CCC[C@H](c3ccccn3)C2)c[nH]1 ZINC000660627448 411609844 /nfs/dbraw/zinc/60/98/44/411609844.db2.gz SQKXGOHIJQMOGA-LBPRGKRZSA-N 0 1 242.326 2.184 20 0 BEADMN FCC1(CF)CC(NCc2nccs2)C1 ZINC000657842012 411610070 /nfs/dbraw/zinc/61/00/70/411610070.db2.gz KAOCFSPZRSVTEB-UHFFFAOYSA-N 0 1 232.299 2.321 20 0 BEADMN Cc1occc1CN[C@H]1CCCn2nccc21 ZINC000657858520 411612684 /nfs/dbraw/zinc/61/26/84/411612684.db2.gz ZXWWDYFEVGJPCE-LBPRGKRZSA-N 0 1 231.299 2.409 20 0 BEADMN Cc1ncsc1CN[C@@H]1CCCn2nccc21 ZINC000657871887 411614337 /nfs/dbraw/zinc/61/43/37/411614337.db2.gz DEJRWIKBPPCLMP-SNVBAGLBSA-N 0 1 248.355 2.273 20 0 BEADMN Cc1ncc(CN[C@@H]2CCCn3nccc32)s1 ZINC000657872613 411614624 /nfs/dbraw/zinc/61/46/24/411614624.db2.gz RPECMDRWWLMXGD-LLVKDONJSA-N 0 1 248.355 2.273 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1nsc2ccccc21 ZINC000660737333 411620063 /nfs/dbraw/zinc/62/00/63/411620063.db2.gz LJJQVSPSFVAEGU-BXKDBHETSA-N 0 1 248.351 2.251 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2=CCCC2)n1 ZINC000660749129 411620568 /nfs/dbraw/zinc/62/05/68/411620568.db2.gz FTOHOLVWFSAFIO-UHFFFAOYSA-N 0 1 247.342 2.426 20 0 BEADMN Cc1cc(=O)[nH]c(C(C)(C)NCC2=CCCC2)n1 ZINC000660749129 411620569 /nfs/dbraw/zinc/62/05/69/411620569.db2.gz FTOHOLVWFSAFIO-UHFFFAOYSA-N 0 1 247.342 2.426 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+][C@H]2C=CCCC2)n1 ZINC000660745682 411620614 /nfs/dbraw/zinc/62/06/14/411620614.db2.gz FVIXVANLRRUDFK-NSHDSACASA-N 0 1 247.342 2.424 20 0 BEADMN Cc1cc(=O)[nH]c(C(C)(C)N[C@H]2C=CCCC2)n1 ZINC000660745682 411620615 /nfs/dbraw/zinc/62/06/15/411620615.db2.gz FVIXVANLRRUDFK-NSHDSACASA-N 0 1 247.342 2.424 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663316195 411622700 /nfs/dbraw/zinc/62/27/00/411622700.db2.gz CGEXSPIGNHFYEX-ZSBIGDGJSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@H](C)N(CC)Cc1cc(C(C)=O)no1 ZINC000661102891 411707607 /nfs/dbraw/zinc/70/76/07/411707607.db2.gz BQRAMGDRSYZHCC-VIFPVBQESA-N 0 1 224.304 2.498 20 0 BEADMN CC[C@@H](C)N(CC)Cc1ncc(C)cn1 ZINC000661109281 411712210 /nfs/dbraw/zinc/71/22/10/411712210.db2.gz YSVUAGBMHLCXDE-LLVKDONJSA-N 0 1 207.321 2.405 20 0 BEADMN Cc1ccc(C[N@H+](C)Cc2n[n-]c(=O)o2)cc1C ZINC000660842464 411654692 /nfs/dbraw/zinc/65/46/92/411654692.db2.gz PDQUOGPPAWRHNR-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1ccc(C[N@@H+](C)Cc2n[n-]c(=O)o2)cc1C ZINC000660842464 411654695 /nfs/dbraw/zinc/65/46/95/411654695.db2.gz PDQUOGPPAWRHNR-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660841479 411654829 /nfs/dbraw/zinc/65/48/29/411654829.db2.gz FHXZXJIYKPXWSW-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1ccc(C)c(C[N@@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660841479 411654832 /nfs/dbraw/zinc/65/48/32/411654832.db2.gz FHXZXJIYKPXWSW-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN C[C@@H](NCCOCCF)c1ccc(Cl)cn1 ZINC000663460314 411662305 /nfs/dbraw/zinc/66/23/05/411662305.db2.gz MLAQNXYGVQGNPE-SECBINFHSA-N 0 1 246.713 2.372 20 0 BEADMN FC1(F)CC2(CN(CCc3ccccn3)C2)C1 ZINC000663464242 411665780 /nfs/dbraw/zinc/66/57/80/411665780.db2.gz SUVXJQCDKFZBKX-UHFFFAOYSA-N 0 1 238.281 2.355 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nc(C)oc1C ZINC000660917746 411671168 /nfs/dbraw/zinc/67/11/68/411671168.db2.gz PLKYZNPRJIJXGH-DGCLKSJQSA-N 0 1 238.331 2.339 20 0 BEADMN Cc1noc([C@@H](C)N(C)CC2CC=CC2)n1 ZINC000660926939 411676410 /nfs/dbraw/zinc/67/64/10/411676410.db2.gz UMRQLWYYMAUQPM-SECBINFHSA-N 0 1 221.304 2.337 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)NCCC1=CCCC1 ZINC000660945552 411686105 /nfs/dbraw/zinc/68/61/05/411686105.db2.gz JEZMRVJXTLLCBZ-UHFFFAOYSA-N 0 1 248.330 2.052 20 0 BEADMN CN(CCCOC(C)(C)C)Cc1c[nH]cn1 ZINC000661086086 411696483 /nfs/dbraw/zinc/69/64/83/411696483.db2.gz UPUZUYISYBIMCR-UHFFFAOYSA-N 0 1 225.336 2.047 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)NCC1=CCCCC1 ZINC000661250721 411743596 /nfs/dbraw/zinc/74/35/96/411743596.db2.gz HIPZXODWVXICCX-UHFFFAOYSA-N 0 1 248.330 2.052 20 0 BEADMN C[C@H](CO)[C@H]1CCCCN1Cc1nccs1 ZINC000661440508 411778580 /nfs/dbraw/zinc/77/85/80/411778580.db2.gz DJXKTZXTASPINP-GHMZBOCLSA-N 0 1 240.372 2.126 20 0 BEADMN COCCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661461659 411780013 /nfs/dbraw/zinc/78/00/13/411780013.db2.gz DWPKAPOGJRCGFG-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCOC1CCC1 ZINC000661463379 411780820 /nfs/dbraw/zinc/78/08/20/411780820.db2.gz PONFWUZOUJJTLN-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN Cn1c(=O)[nH]nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000663948886 411788503 /nfs/dbraw/zinc/78/85/03/411788503.db2.gz IYSWRQFEOGMETE-HLTSFMKQSA-N 0 1 239.344 2.049 20 0 BEADMN Cc1cc(OCc2ncnn2C(C)C)cc(C)n1 ZINC000663984096 411800877 /nfs/dbraw/zinc/80/08/77/411800877.db2.gz DOBXRQHTAYZDIR-UHFFFAOYSA-N 0 1 246.314 2.450 20 0 BEADMN C[C@H]1CCC[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC000661745024 411865075 /nfs/dbraw/zinc/86/50/75/411865075.db2.gz NOXUVXUDFSHIOX-RYUDHWBXSA-N 0 1 236.363 2.073 20 0 BEADMN CCC(C)(C)CCOCCc1c[nH]nn1 ZINC000664046707 411827177 /nfs/dbraw/zinc/82/71/77/411827177.db2.gz MXBYVYBXKRXJJL-UHFFFAOYSA-N 0 1 211.309 2.190 20 0 BEADMN COc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000661695321 411843418 /nfs/dbraw/zinc/84/34/18/411843418.db2.gz GAHNZXBOUINLJE-DZGCQCFKSA-N 0 1 247.338 2.164 20 0 BEADMN C[C@@H]1CC(C)(C)CN1C(=O)[C@H]1CCCCN1C ZINC000665662934 411847113 /nfs/dbraw/zinc/84/71/13/411847113.db2.gz WURYXBNSTTVPDC-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COc1ccc2c(c1)CCN(CCOC(C)C)C2 ZINC000661736926 411860429 /nfs/dbraw/zinc/86/04/29/411860429.db2.gz BYMYXIXFTADVCW-UHFFFAOYSA-N 0 1 249.354 2.478 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661853275 411903599 /nfs/dbraw/zinc/90/35/99/411903599.db2.gz RFTGHXKEWAKBRO-OLZOCXBDSA-N 0 1 234.343 2.389 20 0 BEADMN c1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)n[nH]1 ZINC000661875574 411912784 /nfs/dbraw/zinc/91/27/84/411912784.db2.gz PADAHMUDPPROQU-JSGCOSHPSA-N 0 1 249.358 2.191 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661967871 411925451 /nfs/dbraw/zinc/92/54/51/411925451.db2.gz GLCTZOTVGIEAOH-NXEZZACHSA-N 0 1 208.330 2.293 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@H]2C[C@H]2C1 ZINC000661975577 411930406 /nfs/dbraw/zinc/93/04/06/411930406.db2.gz YCLNAZWRLZASOQ-RYUDHWBXSA-N 0 1 219.332 2.306 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1c(F)cccc1F ZINC000661764211 411874198 /nfs/dbraw/zinc/87/41/98/411874198.db2.gz BEZARFSINAKHOJ-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2[C@H](C)O)sc1C ZINC000661767805 411879339 /nfs/dbraw/zinc/87/93/39/411879339.db2.gz RJNSGCBLFJMKJT-GXSJLCMTSA-N 0 1 240.372 2.105 20 0 BEADMN Cc1noc(CN(CCC2CC2)CC2CC2)n1 ZINC000662177265 412019236 /nfs/dbraw/zinc/01/92/36/412019236.db2.gz CNKMINLWEUKDHE-UHFFFAOYSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)CC1(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000662068314 411970385 /nfs/dbraw/zinc/97/03/85/411970385.db2.gz KOWSWKZTQACFCL-ZDUSSCGKSA-N 0 1 246.354 2.381 20 0 BEADMN Fc1cc(F)cc(CN2CCC3(COC3)C2)c1 ZINC000662073964 411973175 /nfs/dbraw/zinc/97/31/75/411973175.db2.gz XMNGNMGLXHQUKV-UHFFFAOYSA-N 0 1 239.265 2.187 20 0 BEADMN CC(C)CCC[N@H+]1CCc2nccnc2C1 ZINC000662119310 411990038 /nfs/dbraw/zinc/99/00/38/411990038.db2.gz NIIMBHPTUHDJAB-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN CC(C)CCCN1CCc2nccnc2C1 ZINC000662119310 411990043 /nfs/dbraw/zinc/99/00/43/411990043.db2.gz NIIMBHPTUHDJAB-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ncccn1 ZINC000662127799 411995122 /nfs/dbraw/zinc/99/51/22/411995122.db2.gz FTPYSZATCMMHBI-YOGCLGLASA-N 0 1 217.316 2.240 20 0 BEADMN Cn1cc(CN2CCCC[C@@H]2CC2CCC2)nn1 ZINC000662155584 412010447 /nfs/dbraw/zinc/01/04/47/412010447.db2.gz GJDTVTRLUXFNCS-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncnc1CN1CCCC[C@H]1CC1CCC1 ZINC000662159107 412012711 /nfs/dbraw/zinc/01/27/11/412012711.db2.gz YQOURHVRPCZQKU-ZDUSSCGKSA-N 0 1 248.374 2.360 20 0 BEADMN NCc1cc(C(=O)N2CCC3(CCC3)CC2)co1 ZINC000664718360 412014624 /nfs/dbraw/zinc/01/46/24/412014624.db2.gz CSEJWGLWZIEVQL-UHFFFAOYSA-N 0 1 248.326 2.145 20 0 BEADMN Cc1nccc(N2CC[C@@]3(O)C[C@H]3C2)c1Cl ZINC000664421676 411951324 /nfs/dbraw/zinc/95/13/24/411951324.db2.gz DCGMUMDKESCMLJ-JOYOIKCWSA-N 0 1 238.718 2.005 20 0 BEADMN C[C@H](c1nncn1C)N1CCC[C@@H](C2CCC2)C1 ZINC000662043901 411960689 /nfs/dbraw/zinc/96/06/89/411960689.db2.gz NYMMQBHDBWXIKS-DGCLKSJQSA-N 0 1 248.374 2.388 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1C(=O)[O-] ZINC000662212336 412025825 /nfs/dbraw/zinc/02/58/25/412025825.db2.gz OOGNAKODZWFYFJ-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C)CN(Cc2cnc[nH]2)[C@H]1c1cccnc1 ZINC000664821599 412026781 /nfs/dbraw/zinc/02/67/81/412026781.db2.gz FECLVKBYACVSLU-ZDUSSCGKSA-N 0 1 242.326 2.388 20 0 BEADMN COC[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664825100 412027194 /nfs/dbraw/zinc/02/71/94/412027194.db2.gz GSHFJXKADCWXNY-WCQYABFASA-N 0 1 234.343 2.499 20 0 BEADMN CO[C@@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830552 412029014 /nfs/dbraw/zinc/02/90/14/412029014.db2.gz WUGYGCKDSRWHQB-AAEUAGOBSA-N 0 1 234.343 2.499 20 0 BEADMN CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H](C)C(=O)[O-] ZINC000662217500 412029472 /nfs/dbraw/zinc/02/94/72/412029472.db2.gz UUCLIFDCDZJULV-KKOKHZNYSA-N 0 1 225.332 2.218 20 0 BEADMN CO[C@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830553 412029586 /nfs/dbraw/zinc/02/95/86/412029586.db2.gz WUGYGCKDSRWHQB-DGCLKSJQSA-N 0 1 234.343 2.499 20 0 BEADMN CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H](C)C(=O)[O-] ZINC000662217532 412029668 /nfs/dbraw/zinc/02/96/68/412029668.db2.gz VPQRQQQNDDJYSS-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN c1csc(CN2CCCc3n[nH]cc3C2)c1 ZINC000664862513 412034723 /nfs/dbraw/zinc/03/47/23/412034723.db2.gz QBOUQIBQQHHZNH-UHFFFAOYSA-N 0 1 233.340 2.420 20 0 BEADMN O=C([O-])CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662238178 412035117 /nfs/dbraw/zinc/03/51/17/412035117.db2.gz ZTVUVFLTYCXVEZ-UHFFFAOYSA-N 0 1 231.295 2.082 20 0 BEADMN c1c2cccnc2oc1CN1CC2(CC2)C1 ZINC000335376817 487621444 /nfs/dbraw/zinc/62/14/44/487621444.db2.gz WXAJOIYECLEFEU-UHFFFAOYSA-N 0 1 214.268 2.424 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc(OC)nc1 ZINC000292558019 171023974 /nfs/dbraw/zinc/02/39/74/171023974.db2.gz ZCIVYYZREPQNLQ-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN c1cnc(CN(CCC2CC2)CC2CC2)nc1 ZINC000662181379 412022572 /nfs/dbraw/zinc/02/25/72/412022572.db2.gz ZAPATUINSPWXIM-UHFFFAOYSA-N 0 1 231.343 2.489 20 0 BEADMN CC[C@@H]1CC[C@H]1N[C@@H](C)c1nc(C)no1 ZINC000336656914 171060941 /nfs/dbraw/zinc/06/09/41/171060941.db2.gz AOXQQROKQPHLOZ-FXBDTBDDSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H]1CN(CCC(C)C)C[C@@H](C)[S@]1=O ZINC000352872876 171079189 /nfs/dbraw/zinc/07/91/89/171079189.db2.gz XMMFVBVTHGIPTH-LALPHHSUSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@@H]1CN(CCC2CC2)C[C@H](C)[S@]1=O ZINC000352872826 171079737 /nfs/dbraw/zinc/07/97/37/171079737.db2.gz WXHNCHNZCYUPOM-JVLSTEMRSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(Cc2cnn(CC)c2)CCS1 ZINC000093502071 171090695 /nfs/dbraw/zinc/09/06/95/171090695.db2.gz NWTKUKSWMVLNCY-GFCCVEGCSA-N 0 1 239.388 2.230 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H](OC)c1ccccc1 ZINC000338544427 171106502 /nfs/dbraw/zinc/10/65/02/171106502.db2.gz OSTPICRHFLDVRC-HUUCEWRRSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1ccncc1 ZINC000298283360 171109653 /nfs/dbraw/zinc/10/96/53/171109653.db2.gz OFQIVBMFALTBGN-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OC[C@H]2C)CCO1 ZINC000356998840 171130414 /nfs/dbraw/zinc/13/04/14/171130414.db2.gz UFFHCQIMGQMNJE-XJFOESAGSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1O ZINC000228310493 171140816 /nfs/dbraw/zinc/14/08/16/171140816.db2.gz DOPMKSZPRJJTSE-GMSGAONNSA-N 0 1 223.247 2.060 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@@H]1CCC(C)(C)O1 ZINC000336726103 171204520 /nfs/dbraw/zinc/20/45/20/171204520.db2.gz WDKYJJQDPXVTIE-JSGCOSHPSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@]1(CO)CCCN1Cc1ncc(C)s1 ZINC000189619683 171212911 /nfs/dbraw/zinc/21/29/11/171212911.db2.gz IEALIQHMTBZQHS-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(C)cc1F)N(C)C ZINC000268724681 171234197 /nfs/dbraw/zinc/23/41/97/171234197.db2.gz JKUUQYQWCNEYIL-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(F)c(C)c1)N(C)C ZINC000162849860 171234233 /nfs/dbraw/zinc/23/42/33/171234233.db2.gz KEYRNYAUFOSPBN-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(N)=O)N1CCC[C@H]1c1ccsc1 ZINC000339139683 171244090 /nfs/dbraw/zinc/24/40/90/171244090.db2.gz IAARFDURTAATLN-MNOVXSKESA-N 0 1 238.356 2.149 20 0 BEADMN CC[C@H](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000191157752 171264215 /nfs/dbraw/zinc/26/42/15/171264215.db2.gz KZGPGOKTROTNNC-QMMMGPOBSA-N 0 1 248.286 2.439 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H](N)c1ccccc1 ZINC000037173417 171270945 /nfs/dbraw/zinc/27/09/45/171270945.db2.gz AZUPSRVDCAYZIB-WCQYABFASA-N 0 1 234.343 2.191 20 0 BEADMN CC[C@H](C)CN(C)[C@@H](C)c1nnc(C)o1 ZINC000111253112 171273696 /nfs/dbraw/zinc/27/36/96/171273696.db2.gz BDZFKPMFKPZZSP-IUCAKERBSA-N 0 1 211.309 2.417 20 0 BEADMN CC[C@H](C)CN(C)Cc1nccn1CC ZINC000111253563 171273876 /nfs/dbraw/zinc/27/38/76/171273876.db2.gz BRMVUSOSYJAQOQ-NSHDSACASA-N 0 1 209.337 2.381 20 0 BEADMN CC[C@H](C)CN(C)Cc1ncc(C)cn1 ZINC000336648867 171274057 /nfs/dbraw/zinc/27/40/57/171274057.db2.gz PYCHVZCHAWSOGB-JTQLQIEISA-N 0 1 207.321 2.263 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1cnc(C)[nH]1 ZINC000267115337 171276887 /nfs/dbraw/zinc/27/68/87/171276887.db2.gz OHTDRXZYZVGDAZ-VIFPVBQESA-N 0 1 223.320 2.226 20 0 BEADMN CC[C@H](C)CONC(=O)c1n[nH]c2ccccc21 ZINC000292164156 171289760 /nfs/dbraw/zinc/28/97/60/171289760.db2.gz LFIWFYWLEUUPQV-VIFPVBQESA-N 0 1 247.298 2.270 20 0 BEADMN CC[C@H](C)CSCCCN1CCOCC1 ZINC000123859494 171293573 /nfs/dbraw/zinc/29/35/73/171293573.db2.gz BPTRLUPPGCQTQY-LBPRGKRZSA-N 0 1 231.405 2.488 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1c(O)cccc1F ZINC000122764728 171303507 /nfs/dbraw/zinc/30/35/07/171303507.db2.gz IKCBWYXWTZMMFK-QMMMGPOBSA-N 0 1 225.263 2.402 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1 ZINC000102705240 171305330 /nfs/dbraw/zinc/30/53/30/171305330.db2.gz PYJHNSUQVWIBLR-NSHDSACASA-N 0 1 220.316 2.355 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(C)C)CC(=O)OC ZINC000337260117 171311946 /nfs/dbraw/zinc/31/19/46/171311946.db2.gz VTQNLHXMZSUJBJ-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H](C)N(CC(=O)OC)[C@H]1C=CCCC1 ZINC000337250404 171312248 /nfs/dbraw/zinc/31/22/48/171312248.db2.gz QSKDPOOUQADNOU-RYUDHWBXSA-N 0 1 225.332 2.369 20 0 BEADMN CC[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000268058394 171338655 /nfs/dbraw/zinc/33/86/55/171338655.db2.gz ZFCQIADMXLICOO-VIFPVBQESA-N 0 1 240.372 2.338 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000246638971 171364086 /nfs/dbraw/zinc/36/40/86/171364086.db2.gz UGVRGIRAZKJKQK-AXFHLTTASA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1cc(C)on1 ZINC000330497280 171382773 /nfs/dbraw/zinc/38/27/73/171382773.db2.gz XJSUWJXXBBSPLC-GAFUQQFSSA-N 0 1 240.347 2.431 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000356760768 171384099 /nfs/dbraw/zinc/38/40/99/171384099.db2.gz FDHBMGSNTZKNQD-RVMXOQNASA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000104569417 171386137 /nfs/dbraw/zinc/38/61/37/171386137.db2.gz VYBDLVUSIQWWDO-UWVGGRQHSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000226560893 171387523 /nfs/dbraw/zinc/38/75/23/171387523.db2.gz JIEDBGIMIZSLEG-HUBLWGQQSA-N 0 1 248.370 2.411 20 0 BEADMN CC[C@H](C)[C@H](CN[C@H](C)c1nccn1C)OC ZINC000362975919 171393174 /nfs/dbraw/zinc/39/31/74/171393174.db2.gz HPRZLDVGETXSEG-TUAOUCFPSA-N 0 1 239.363 2.132 20 0 BEADMN CCc1ccccc1C[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000662325223 412103830 /nfs/dbraw/zinc/10/38/30/412103830.db2.gz DCSCYPVAGDZBLG-ZIAGYGMSSA-N 0 1 236.334 2.120 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)C[C@@H]1CC1(C)C ZINC000662343561 412112005 /nfs/dbraw/zinc/11/20/05/412112005.db2.gz LUUSDTOZFKSBMT-NSHDSACASA-N 0 1 233.359 2.307 20 0 BEADMN CC(C)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662364146 412123009 /nfs/dbraw/zinc/12/30/09/412123009.db2.gz NPOFHHYMXTUEGY-SCZZXKLOSA-N 0 1 207.264 2.139 20 0 BEADMN CC(C)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662364149 412124242 /nfs/dbraw/zinc/12/42/42/412124242.db2.gz NPOFHHYMXTUEGY-WPRPVWTQSA-N 0 1 207.264 2.139 20 0 BEADMN C[C@@H]1CN(CC2CC2)C[C@@](C)(C(F)F)O1 ZINC000662366466 412125457 /nfs/dbraw/zinc/12/54/57/412125457.db2.gz OZVSQTGCEYJZCG-KCJUWKMLSA-N 0 1 219.275 2.141 20 0 BEADMN CC[C@H](NCc1nc(C)no1)C(C)(C)C ZINC000336762580 171533602 /nfs/dbraw/zinc/53/36/02/171533602.db2.gz NYAQTFQSICVSCC-VIFPVBQESA-N 0 1 211.309 2.292 20 0 BEADMN CC(C)c1cccc(C(=O)N2CCN[C@H](C)C2)c1 ZINC000662419046 412159384 /nfs/dbraw/zinc/15/93/84/412159384.db2.gz VCCDQOZUJHTBBG-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000662419250 412161030 /nfs/dbraw/zinc/16/10/30/412161030.db2.gz XCIAAECTSCYUJO-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](NCc1cccc(N)c1)c1ccn(C)n1 ZINC000665232949 412172796 /nfs/dbraw/zinc/17/27/96/412172796.db2.gz YGTJZNPYBRIOEH-ZDUSSCGKSA-N 0 1 244.342 2.243 20 0 BEADMN CCN(Cc1ccoc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000662695544 412274448 /nfs/dbraw/zinc/27/44/48/412274448.db2.gz LMMNDPIIURTLHZ-VIFPVBQESA-N 0 1 234.303 2.289 20 0 BEADMN Cc1noc(CN2CC[C@H](C3CCC3)C2)n1 ZINC000665286436 412234002 /nfs/dbraw/zinc/23/40/02/412234002.db2.gz LJNWZSWRFJCARB-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C3CCC3)C2)[nH]1 ZINC000665289903 412236119 /nfs/dbraw/zinc/23/61/19/412236119.db2.gz ATAHVSDVCHQUFY-CABZTGNLSA-N 0 1 234.347 2.296 20 0 BEADMN Cc1cccc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)[nH+]1 ZINC000662892743 412337643 /nfs/dbraw/zinc/33/76/43/412337643.db2.gz HPGACQBGDXZTRX-QWRGUYRKSA-N 0 1 234.299 2.080 20 0 BEADMN Cc1cc(NC[C@H](C(=O)[O-])C2CCC2)nc(C)[nH+]1 ZINC000662899653 412340204 /nfs/dbraw/zinc/34/02/04/412340204.db2.gz HHVRNNXAGKFABH-NSHDSACASA-N 0 1 249.314 2.006 20 0 BEADMN Cn1cnc2cc(CN3CC4(CC4)C3)ccc21 ZINC000335383272 487622760 /nfs/dbraw/zinc/62/27/60/487622760.db2.gz UKQCWEFSIKKITM-UHFFFAOYSA-N 0 1 227.311 2.169 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC1CC(C)(C)C1 ZINC000662946860 412351174 /nfs/dbraw/zinc/35/11/74/412351174.db2.gz DQVFSAXEURAIEM-CYBMUJFWSA-N 0 1 246.354 2.300 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000662770775 412296999 /nfs/dbraw/zinc/29/69/99/412296999.db2.gz XCIAAECTSCYUJO-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC2CC1(C)C2 ZINC000663016145 412371752 /nfs/dbraw/zinc/37/17/52/412371752.db2.gz AJSUJRNQLGSRIY-QRJNDHJOSA-N 0 1 244.338 2.006 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2ccncc2)n[nH]1 ZINC000358245262 172001527 /nfs/dbraw/zinc/00/15/27/172001527.db2.gz HJSNBSHBQURGBE-NXEZZACHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(C)on2)n[nH]1 ZINC000284905031 172001818 /nfs/dbraw/zinc/00/18/18/172001818.db2.gz CIYZBCQDHLKNBN-DTWKUNHWSA-N 0 1 249.318 2.075 20 0 BEADMN CCc1nc([C@@H](C)NC[C@@H](C)OC)cs1 ZINC000184712698 172003263 /nfs/dbraw/zinc/00/32/63/172003263.db2.gz QVLVJHDJFKKINF-RKDXNWHRSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc([C@H](C)NCc2occc2C)n[nH]1 ZINC000270627564 172006233 /nfs/dbraw/zinc/00/62/33/172006233.db2.gz DWEPQEXAKTUCRG-VIFPVBQESA-N 0 1 234.303 2.119 20 0 BEADMN CCc1ncc(CN2CCCO[C@H](C)C2)s1 ZINC000271147427 172017867 /nfs/dbraw/zinc/01/78/67/172017867.db2.gz IKHIKENXBKESFV-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CCc1nnc(CN(CC)CC2CCC2)o1 ZINC000336663486 172047811 /nfs/dbraw/zinc/04/78/11/172047811.db2.gz SEMSTRLEIAHZKN-UHFFFAOYSA-N 0 1 223.320 2.254 20 0 BEADMN CCc1nnc(CN(C)C(C)(C)CC)o1 ZINC000336652558 172047925 /nfs/dbraw/zinc/04/79/25/172047925.db2.gz WVFALZDKLJLJMZ-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN CCc1nnc(CN(C)[C@@H](C)C2CCC2)o1 ZINC000357041857 172049001 /nfs/dbraw/zinc/04/90/01/172049001.db2.gz PSDHGXWMYZBKMJ-VIFPVBQESA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN2C[C@@H](C)C[C@H]2CC)o1 ZINC000336710600 172049861 /nfs/dbraw/zinc/04/98/61/172049861.db2.gz ZUDPFHMTJGAAEC-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2CC)o1 ZINC000336651259 172050629 /nfs/dbraw/zinc/05/06/29/172050629.db2.gz UXFSUPFCTJQIMX-VIFPVBQESA-N 0 1 209.293 2.006 20 0 BEADMN CCc1nnc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000367309247 172050749 /nfs/dbraw/zinc/05/07/49/172050749.db2.gz USTPFFPPJWGRJM-NSHDSACASA-N 0 1 235.331 2.254 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@H]2C)o1 ZINC000123121650 172051504 /nfs/dbraw/zinc/05/15/04/172051504.db2.gz CJTXTIPNWQCWIG-RKDXNWHRSA-N 0 1 209.293 2.005 20 0 BEADMN CCc1nnc(CN[C@H]2CCCSC2)s1 ZINC000309059679 172053902 /nfs/dbraw/zinc/05/39/02/172053902.db2.gz VUVBDLFGDAHRNN-QMMMGPOBSA-N 0 1 243.401 2.086 20 0 BEADMN CCc1nnc(SCC[C@@H](C)F)[nH]1 ZINC000308305107 172061506 /nfs/dbraw/zinc/06/15/06/172061506.db2.gz NEPJXVBLKHBTPS-ZCFIWIBFSA-N 0 1 203.286 2.207 20 0 BEADMN CCc1n[nH]c(SCC[C@@H](C)F)n1 ZINC000308305107 172061508 /nfs/dbraw/zinc/06/15/08/172061508.db2.gz NEPJXVBLKHBTPS-ZCFIWIBFSA-N 0 1 203.286 2.207 20 0 BEADMN CCc1nnc(SCCCSC)[nH]1 ZINC000153771467 172062973 /nfs/dbraw/zinc/06/29/73/172062973.db2.gz GESXTDXBGRJOTQ-UHFFFAOYSA-N 0 1 217.363 2.212 20 0 BEADMN CCc1n[nH]c(SCCCSC)n1 ZINC000153771467 172062975 /nfs/dbraw/zinc/06/29/75/172062975.db2.gz GESXTDXBGRJOTQ-UHFFFAOYSA-N 0 1 217.363 2.212 20 0 BEADMN CCc1noc(C)c1CN(C)CCCOC ZINC000163160994 172075946 /nfs/dbraw/zinc/07/59/46/172075946.db2.gz WRNSSXCGYWKQER-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN CCc1nocc1CN(CC)C[C@H](C)OC ZINC000353569149 172094503 /nfs/dbraw/zinc/09/45/03/172094503.db2.gz NMWDOAJVBYJATB-JTQLQIEISA-N 0 1 226.320 2.094 20 0 BEADMN CCc1nocc1CN1CCC(C)(OC)CC1 ZINC000352826043 172097110 /nfs/dbraw/zinc/09/71/10/172097110.db2.gz RBBQVKVWGUKUEN-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1nocc1CN1CCC[C@](C)(OC)C1 ZINC000353254282 172098615 /nfs/dbraw/zinc/09/86/15/172098615.db2.gz CSJLWKZTTLVZLQ-ZDUSSCGKSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1nsc(Nc2cn(C)nc2C2CC2)n1 ZINC000292215106 172107632 /nfs/dbraw/zinc/10/76/32/172107632.db2.gz DOJFKBFCCJWUOZ-UHFFFAOYSA-N 0 1 249.343 2.455 20 0 BEADMN CCn1c(CN[C@@H](C)COC)nc2ccccc21 ZINC000038046574 172144243 /nfs/dbraw/zinc/14/42/43/172144243.db2.gz CQQULWIBWTVVSW-NSHDSACASA-N 0 1 247.342 2.181 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccncc2C)cn1 ZINC000228657949 172193843 /nfs/dbraw/zinc/19/38/43/172193843.db2.gz WUJGMQMNINDSDR-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@@H](C)NCc2cccnc2)cn1 ZINC000044495290 172194129 /nfs/dbraw/zinc/19/41/29/172194129.db2.gz GQNCIWFMKCFFFJ-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)cn1 ZINC000340529257 172197049 /nfs/dbraw/zinc/19/70/49/172197049.db2.gz IULOCICEETWBMQ-ZMLRMANQSA-N 0 1 225.311 2.444 20 0 BEADMN CCn1ccnc1CN1CC[C@H](c2ccco2)C1 ZINC000374008215 172218999 /nfs/dbraw/zinc/21/89/99/172218999.db2.gz NWKJLTNVFWXMOU-LBPRGKRZSA-N 0 1 245.326 2.486 20 0 BEADMN CCn1ccnc1CN(C)[C@@H](C)C(C)C ZINC000341808998 172220640 /nfs/dbraw/zinc/22/06/40/172220640.db2.gz LOCDFAHESRPAHB-NSHDSACASA-N 0 1 209.337 2.379 20 0 BEADMN CCn1ccnc1NC(=O)c1ccc(F)cc1O ZINC000335351109 172226840 /nfs/dbraw/zinc/22/68/40/172226840.db2.gz BFQNNVUBKPEXFR-UHFFFAOYSA-N 0 1 249.245 2.000 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCSC1 ZINC000295158069 172227359 /nfs/dbraw/zinc/22/73/59/172227359.db2.gz DMJIQRVCCPQJEQ-NXEZZACHSA-N 0 1 225.361 2.059 20 0 BEADMN CCn1nc(CNC[C@H](C)OC)c2ccccc21 ZINC000224173315 172250841 /nfs/dbraw/zinc/25/08/41/172250841.db2.gz QJISSTSYPJYWAN-NSHDSACASA-N 0 1 247.342 2.181 20 0 BEADMN CCn1nccc1CN(C)CCCCF ZINC000352342208 172263921 /nfs/dbraw/zinc/26/39/21/172263921.db2.gz PIWDJVAJSJYWTJ-UHFFFAOYSA-N 0 1 213.300 2.085 20 0 BEADMN CCn1nccc1CN1CCS[C@H](C)CC1 ZINC000190695931 172266680 /nfs/dbraw/zinc/26/66/80/172266680.db2.gz YEIGBDUIXFPMKA-LLVKDONJSA-N 0 1 239.388 2.230 20 0 BEADMN CCn1nccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000120513306 172269741 /nfs/dbraw/zinc/26/97/41/172269741.db2.gz YOMXUHUKKPWNHM-PHIMTYICSA-N 0 1 239.388 2.229 20 0 BEADMN CN(Cc1ccsc1Cl)Cc1nnc[nH]1 ZINC000361555150 172926421 /nfs/dbraw/zinc/92/64/21/172926421.db2.gz XZYAPTQHGGDOJR-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCC1(C)CCCCC1 ZINC000356785527 173024140 /nfs/dbraw/zinc/02/41/40/173024140.db2.gz UYKNLUSFCZCRTE-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000353892949 173025769 /nfs/dbraw/zinc/02/57/69/173025769.db2.gz HPJLHBBSINNVFQ-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000353892946 173049692 /nfs/dbraw/zinc/04/96/92/173049692.db2.gz HPJLHBBSINNVFQ-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000066252101 173084485 /nfs/dbraw/zinc/08/44/85/173084485.db2.gz AWTPQMDTRQRTGS-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN CN1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000362525512 173086478 /nfs/dbraw/zinc/08/64/78/173086478.db2.gz MZWXKYZWEOATMT-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CNC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000298868050 173270117 /nfs/dbraw/zinc/27/01/17/173270117.db2.gz VVMXYWOSQAVSSN-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN CNC(=O)CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000130921086 173274175 /nfs/dbraw/zinc/27/41/75/173274175.db2.gz ZBYGGKBSGSXWEO-AWEZNQCLSA-N 0 1 246.354 2.268 20 0 BEADMN CNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000042561361 173295871 /nfs/dbraw/zinc/29/58/71/173295871.db2.gz CNAZADWBSUOVHR-RNFRBKRXSA-N 0 1 246.763 2.187 20 0 BEADMN C[C@@H](Nc1nccnc1CN)c1ccc(F)cc1 ZINC001652297256 1173059794 /nfs/dbraw/zinc/05/97/94/1173059794.db2.gz OGWIATLDAGRTHJ-SECBINFHSA-N 0 1 246.289 2.248 20 0 BEADMN COC(=O)c1coc(CNCCC(C)(F)F)c1 ZINC000294175022 173912462 /nfs/dbraw/zinc/91/24/62/173912462.db2.gz JRFNLMVVIQFTAT-UHFFFAOYSA-N 0 1 247.241 2.201 20 0 BEADMN COC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000345350501 174003511 /nfs/dbraw/zinc/00/35/11/174003511.db2.gz HNAAAODWIHQXOE-GHMZBOCLSA-N 0 1 235.331 2.048 20 0 BEADMN COC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000345346886 174004174 /nfs/dbraw/zinc/00/41/74/174004174.db2.gz DIHMRJRRUNYIEM-NWDGAFQWSA-N 0 1 249.358 2.438 20 0 BEADMN COC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000345350505 174004835 /nfs/dbraw/zinc/00/48/35/174004835.db2.gz HNAAAODWIHQXOE-MNOVXSKESA-N 0 1 235.331 2.048 20 0 BEADMN COC1CC(Nc2cc3c(cn2)CCC3)C1 ZINC000336318851 174019983 /nfs/dbraw/zinc/01/99/83/174019983.db2.gz RZKILCOFSPEMSL-UHFFFAOYSA-N 0 1 218.300 2.160 20 0 BEADMN COCC(C)(C)N(C)Cc1cnc(C)s1 ZINC000292426124 174079060 /nfs/dbraw/zinc/07/90/60/174079060.db2.gz VTPVEYVIHHMAEA-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN COCC1(CN[C@H](C)c2cc(C)on2)CCC1 ZINC000340534163 174104762 /nfs/dbraw/zinc/10/47/62/174104762.db2.gz YYUPICVSMBIJFV-LLVKDONJSA-N 0 1 238.331 2.450 20 0 BEADMN COCC1=CCN(CCC(F)(F)F)CC1 ZINC000360770981 174114792 /nfs/dbraw/zinc/11/47/92/174114792.db2.gz GVXQMFPZZVMPCP-UHFFFAOYSA-N 0 1 223.238 2.217 20 0 BEADMN COCc1cc(=O)n(-c2ccc(C)cc2C)[nH]1 ZINC000100226852 174116304 /nfs/dbraw/zinc/11/63/04/174116304.db2.gz SPXVHKVIFPLKJG-UHFFFAOYSA-N 0 1 232.283 2.043 20 0 BEADMN COCC1=CCN(Cc2scnc2C)CC1 ZINC000274896484 174116322 /nfs/dbraw/zinc/11/63/22/174116322.db2.gz FZNKLSLWQMWCTQ-UHFFFAOYSA-N 0 1 238.356 2.230 20 0 BEADMN COCCCN(C)Cc1nc2ccccc2[nH]1 ZINC000120453893 174217950 /nfs/dbraw/zinc/21/79/50/174217950.db2.gz BNDHWHXAQBVPGY-UHFFFAOYSA-N 0 1 233.315 2.031 20 0 BEADMN COCCCN1CCC[C@@H]1c1nccs1 ZINC000377492582 174230677 /nfs/dbraw/zinc/23/06/77/174230677.db2.gz FLDSDJYKDROBMV-SNVBAGLBSA-N 0 1 226.345 2.317 20 0 BEADMN COCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000121943378 174233138 /nfs/dbraw/zinc/23/31/38/174233138.db2.gz YZDRXOHLHCSGGJ-HNNXBMFYSA-N 0 1 249.354 2.271 20 0 BEADMN COCCCNCc1ncc(CSC)s1 ZINC000339174424 174248054 /nfs/dbraw/zinc/24/80/54/174248054.db2.gz SIYZYILYFRQJON-UHFFFAOYSA-N 0 1 246.401 2.132 20 0 BEADMN COCCCN[C@H](C)c1csc(C)n1 ZINC000022862933 174251247 /nfs/dbraw/zinc/25/12/47/174251247.db2.gz NEJSGYJBYXNNSL-MRVPVSSYSA-N 0 1 214.334 2.139 20 0 BEADMN COCCN(C)CCC(=O)c1ccc(C)cc1 ZINC000053936477 174275856 /nfs/dbraw/zinc/27/58/56/174275856.db2.gz SXWMRWNWNHWFBG-UHFFFAOYSA-N 0 1 235.327 2.146 20 0 BEADMN COCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000127145385 174281449 /nfs/dbraw/zinc/28/14/49/174281449.db2.gz HQJSLVVASUKORY-UHFFFAOYSA-N 0 1 233.233 2.182 20 0 BEADMN COCCN(Cc1sc(C)nc1C)C1CC1 ZINC000336702590 174302500 /nfs/dbraw/zinc/30/25/00/174302500.db2.gz NSIHBNDABJCXOR-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN COCCNCc1cccc(Cl)c1F ZINC000083349134 174335523 /nfs/dbraw/zinc/33/55/23/174335523.db2.gz FWUXUAPMIFLHDN-UHFFFAOYSA-N 0 1 217.671 2.215 20 0 BEADMN COCCSCCCN[C@@H](C)c1ccon1 ZINC000336768589 174375215 /nfs/dbraw/zinc/37/52/15/174375215.db2.gz RAEVDGCXTUJHNY-JTQLQIEISA-N 0 1 244.360 2.095 20 0 BEADMN COCC[C@@H]1CCCC[N@H+](Cc2c[nH]cn2)C1 ZINC000368679368 174395164 /nfs/dbraw/zinc/39/51/64/174395164.db2.gz YQGZWDLMSNOCRQ-LBPRGKRZSA-N 0 1 237.347 2.048 20 0 BEADMN COCC[C@@H]1COCCN1Cc1ccccc1C ZINC000291294900 174398613 /nfs/dbraw/zinc/39/86/13/174398613.db2.gz PXZJUZQXIISBKI-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN COC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000130910772 174548354 /nfs/dbraw/zinc/54/83/54/174548354.db2.gz IEAMRQZOYKUNBR-NSHDSACASA-N 0 1 246.310 2.466 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2nccs2)C1(C)C ZINC000271898376 174785172 /nfs/dbraw/zinc/78/51/72/174785172.db2.gz UUZHMNSGZIXZSA-DVVUODLYSA-N 0 1 240.372 2.292 20 0 BEADMN COc1cc(CNCc2ccc(O)cc2)ccn1 ZINC000057395095 174983942 /nfs/dbraw/zinc/98/39/42/174983942.db2.gz CQSYBIRKOIGRHX-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1cc(CNCc2ccncc2)ccc1O ZINC000020139673 174984542 /nfs/dbraw/zinc/98/45/42/174984542.db2.gz XKBZMFPDJYIUFO-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1cc(NCc2[nH]ncc2C)cc(OC)c1 ZINC000290008528 175003497 /nfs/dbraw/zinc/00/34/97/175003497.db2.gz UICLPHUXQCWWDF-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1ccc(CNCCF)cc1Cl ZINC000280841288 175106918 /nfs/dbraw/zinc/10/69/18/175106918.db2.gz YGMUHDRPIXPPOI-UHFFFAOYSA-N 0 1 217.671 2.408 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccccc2)nn1 ZINC000282629650 175111444 /nfs/dbraw/zinc/11/14/44/175111444.db2.gz ATYIWSSYHVDIIA-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1ccc(Cl)cc1CN(C)C[C@@H](C)O ZINC000051838061 175120412 /nfs/dbraw/zinc/12/04/12/175120412.db2.gz DALNOKUTWXASMN-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(F)c(CN(C)C[C@H](C)OC)c1 ZINC000353512264 175123986 /nfs/dbraw/zinc/12/39/86/175123986.db2.gz UKZQLRYPJQVNSK-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN COc1ccc(F)c(CN(C)CCCCO)c1 ZINC000353144981 175124501 /nfs/dbraw/zinc/12/45/01/175124501.db2.gz KTABWZVZKJGOAM-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN COc1ccc(F)cc1CN1CC[C@H](OC)C1 ZINC000267634841 175128274 /nfs/dbraw/zinc/12/82/74/175128274.db2.gz HNTHITFPGGYPDV-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN COc1ccc([C@H](C)NCCF)cc1OC ZINC000087774858 175188595 /nfs/dbraw/zinc/18/85/95/175188595.db2.gz RWLBQKAEGCCOQN-VIFPVBQESA-N 0 1 227.279 2.324 20 0 BEADMN COc1ccc([C@H](C)NCc2cncn2C)cc1 ZINC000112344506 175189595 /nfs/dbraw/zinc/18/95/95/175189595.db2.gz VYTAOUULNOVNAE-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1cccc(CN(C)Cc2c[nH]nc2C)c1 ZINC000271028774 175254917 /nfs/dbraw/zinc/25/49/17/175254917.db2.gz XLVRCAIJNHSQBN-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN COc1ccccc1CN(CC=C(C)C)CCO ZINC000264096668 175326155 /nfs/dbraw/zinc/32/61/55/175326155.db2.gz QVFLXIZODWKSGL-UHFFFAOYSA-N 0 1 249.354 2.456 20 0 BEADMN COc1ccccc1CN1CCOCC2(CC2)C1 ZINC000341532031 175328087 /nfs/dbraw/zinc/32/80/87/175328087.db2.gz CEMMLCKXXTYMRM-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN COc1ccccc1CNCc1ccn(C)c1 ZINC000080794356 175329816 /nfs/dbraw/zinc/32/98/16/175329816.db2.gz OXTFLHCZRMVWQM-UHFFFAOYSA-N 0 1 230.311 2.324 20 0 BEADMN COc1ccccc1NCc1cnc[nH]1 ZINC000054762940 175338090 /nfs/dbraw/zinc/33/80/90/175338090.db2.gz XEMBCBVZZZWDTQ-UHFFFAOYSA-N 0 1 203.245 2.030 20 0 BEADMN COc1ccccc1NCc1cn[nH]c1C ZINC000036901420 175338121 /nfs/dbraw/zinc/33/81/21/175338121.db2.gz BNYSRJRMXJVULV-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1ccnc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000336292345 175358210 /nfs/dbraw/zinc/35/82/10/175358210.db2.gz VLLFGWHMDXTUCT-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN COc1ccnc(NCc2cccn2C)c1 ZINC000089805555 175366362 /nfs/dbraw/zinc/36/63/62/175366362.db2.gz JKWRATWAXPRCHT-UHFFFAOYSA-N 0 1 217.272 2.041 20 0 BEADMN COc1ccnc(NCc2ncc(C)s2)c1 ZINC000295549136 175366473 /nfs/dbraw/zinc/36/64/73/175366473.db2.gz YGIHRFGIYJHDQB-UHFFFAOYSA-N 0 1 235.312 2.467 20 0 BEADMN COc1ccsc1CN1CCCO[C@@H](C)C1 ZINC000271146389 175377901 /nfs/dbraw/zinc/37/79/01/175377901.db2.gz IICOWJGKMQNLEI-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN COc1nccc(CNCc2sccc2C)n1 ZINC000296593184 175402914 /nfs/dbraw/zinc/40/29/14/175402914.db2.gz XUHXPSNKDWQTDY-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN CSC1(CNCc2ccn(C(F)F)n2)CC1 ZINC000309900317 175452451 /nfs/dbraw/zinc/45/24/51/175452451.db2.gz HILDJMWQKNAWQQ-UHFFFAOYSA-N 0 1 247.314 2.263 20 0 BEADMN CS[C@@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC000130625082 175543889 /nfs/dbraw/zinc/54/38/89/175543889.db2.gz KBFJUDNSYJHQDE-QMMMGPOBSA-N 0 1 249.339 2.044 20 0 BEADMN C[C@@H](CO)NCc1nc(-c2ccccc2)cs1 ZINC000061680833 175756764 /nfs/dbraw/zinc/75/67/64/175756764.db2.gz SFUKMSPVSYDNMN-JTQLQIEISA-N 0 1 248.351 2.281 20 0 BEADMN C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000083662699 176012403 /nfs/dbraw/zinc/01/24/03/176012403.db2.gz YLFUSMLTVGQHMG-QMMMGPOBSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)[O-] ZINC000082717783 176016243 /nfs/dbraw/zinc/01/62/43/176016243.db2.gz GWHHQNPPELURBQ-ZETCQYMHSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@@H](c1ccccc1)N(CC(=O)N(C)C)C1CC1 ZINC000299402397 176020051 /nfs/dbraw/zinc/02/00/51/176020051.db2.gz WGIHHPBELQVBFL-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC(=O)N1CCCC1 ZINC000072815526 176020530 /nfs/dbraw/zinc/02/05/30/176020530.db2.gz LOEJFBDPIZQEFA-ZDUSSCGKSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000083413567 176021985 /nfs/dbraw/zinc/02/19/85/176021985.db2.gz VOGHOOZJYBZQLU-JQWIXIFHSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)[O-] ZINC000062015175 176023661 /nfs/dbraw/zinc/02/36/61/176023661.db2.gz CZIMHWTUXGOSQR-QMMMGPOBSA-N 0 1 227.691 2.417 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CC1(O)CCCC1 ZINC000305236662 176026946 /nfs/dbraw/zinc/02/69/46/176026946.db2.gz XXLUXLJGXIENFD-LBPRGKRZSA-N 0 1 234.343 2.380 20 0 BEADMN C[C@@H](c1cccnc1)N(C)CCOCC(F)F ZINC000189778293 176028661 /nfs/dbraw/zinc/02/86/61/176028661.db2.gz WDCILCFYPYMYIN-JTQLQIEISA-N 0 1 244.285 2.356 20 0 BEADMN C[C@@H](c1nncn1C)N1CCC2(CCC2)CC1 ZINC000376558799 176039245 /nfs/dbraw/zinc/03/92/45/176039245.db2.gz PYAXBYQYQGZTRU-NSHDSACASA-N 0 1 234.347 2.142 20 0 BEADMN C[C@@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccon1 ZINC000339089467 176055071 /nfs/dbraw/zinc/05/50/71/176055071.db2.gz QJEJDRPJMIOMQC-OPRDCNLKSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000051330192 176074056 /nfs/dbraw/zinc/07/40/56/176074056.db2.gz HKVYMGCPAGNYTB-SECBINFHSA-N 0 1 223.272 2.352 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccn[nH]1 ZINC000049226832 176078009 /nfs/dbraw/zinc/07/80/09/176078009.db2.gz VYHHYBLRULPROE-KOLCDFICSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC000354291211 176084710 /nfs/dbraw/zinc/08/47/10/176084710.db2.gz HIDFKIGWPWTAOC-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)c1cnccc1N ZINC000127346708 176085027 /nfs/dbraw/zinc/08/50/27/176085027.db2.gz WJHHNWCMTGIAQY-MNOVXSKESA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCN1C ZINC000356999532 176085264 /nfs/dbraw/zinc/08/52/64/176085264.db2.gz UYJUVQHUXDOPOX-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCCF)[C@@H]1C(=O)[O-] ZINC000336668106 176097535 /nfs/dbraw/zinc/09/75/35/176097535.db2.gz QFMRURKFLAEWNK-MNOVXSKESA-N 0 1 231.311 2.311 20 0 BEADMN C[C@@H]1CCCN1CC(=O)Nc1cccc(F)c1 ZINC000154455866 176108009 /nfs/dbraw/zinc/10/80/09/176108009.db2.gz PIILJHJGAMCCDM-SNVBAGLBSA-N 0 1 236.290 2.249 20 0 BEADMN C[C@@H]1CCCN1C[C@H](O)c1cc(F)ccc1F ZINC000174421745 176108459 /nfs/dbraw/zinc/10/84/59/176108459.db2.gz HSSBERHPYCZFPU-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2cnccc2N)CC1 ZINC000235295478 176122373 /nfs/dbraw/zinc/12/23/73/176122373.db2.gz ALSKJOULKMDWMU-GHMZBOCLSA-N 0 1 247.342 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2coc(CN)c2)C1 ZINC000187358639 176122597 /nfs/dbraw/zinc/12/25/97/176122597.db2.gz QOJMCSNIIDIIFS-MWLCHTKSSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)[C@@](C)(N)c1ccccc1 ZINC000221431818 176149078 /nfs/dbraw/zinc/14/90/78/176149078.db2.gz CSCVLBPRHCHVPQ-KYOSRNDESA-N 0 1 246.354 2.165 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000283317816 176149880 /nfs/dbraw/zinc/14/98/80/176149880.db2.gz FKKXOBYWIIXLOT-ZWNOBZJWSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@@H]1CCN(Cc2ccno2)CCS1 ZINC000276967008 176178068 /nfs/dbraw/zinc/17/80/68/176178068.db2.gz QWNYMOMZQZBPJV-SECBINFHSA-N 0 1 212.318 2.002 20 0 BEADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000111800066 176162015 /nfs/dbraw/zinc/16/20/15/176162015.db2.gz NHNJBBYBVQIHJM-SECBINFHSA-N 0 1 229.283 2.045 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@@H]1C ZINC000336562165 176164139 /nfs/dbraw/zinc/16/41/39/176164139.db2.gz DLBOQUVEWFTGHD-RKDXNWHRSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1CCN(Cc2cnns2)C[C@@H]1C ZINC000335569753 176177352 /nfs/dbraw/zinc/17/73/52/176177352.db2.gz FCEUOEUCDVOGNM-BDAKNGLRSA-N 0 1 211.334 2.016 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000263751370 176177441 /nfs/dbraw/zinc/17/74/41/176177441.db2.gz SSJSSBIPFPFBBM-MRVPVSSYSA-N 0 1 249.339 2.239 20 0 BEADMN C[C@@H]1CCN(Cc2cn3cccnc3n2)[C@H](C)C1 ZINC000119160237 176177457 /nfs/dbraw/zinc/17/74/57/176177457.db2.gz XMIWUZRSMMBQSY-VXGBXAGGSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1CCN(Cc2cncs2)CCS1 ZINC000190699377 176177972 /nfs/dbraw/zinc/17/79/72/176177972.db2.gz UXOGTHMHAOUKFC-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C)[C@H](C)C1 ZINC000119117108 176179214 /nfs/dbraw/zinc/17/92/14/176179214.db2.gz QRSABTFSJYUFLY-GHMZBOCLSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CC[C@@H](CN(C)CCC(F)(F)F)O1 ZINC000336690762 176202955 /nfs/dbraw/zinc/20/29/55/176202955.db2.gz KCPVTDCMUKQNEG-BDAKNGLRSA-N 0 1 225.254 2.438 20 0 BEADMN C[C@@H]1CC[C@@H](CN(C)Cc2ccco2)O1 ZINC000188536112 176202799 /nfs/dbraw/zinc/20/27/99/176202799.db2.gz AOXUODWTCMTLJV-PWSUYJOCSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(Cc3ncccn3)C2)C1 ZINC000336544240 176238156 /nfs/dbraw/zinc/23/81/56/176238156.db2.gz SAEUDWHRLALKLU-OCCSQVGLSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCCCC2)CCN1 ZINC000062618896 176245180 /nfs/dbraw/zinc/24/51/80/176245180.db2.gz QHFBQBLMKZFZTF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CN(C(=O)c2c(O)cccc2F)C[C@H]1C ZINC000228857205 176259413 /nfs/dbraw/zinc/25/94/13/176259413.db2.gz QIYYRCXYEJFOKF-RKDXNWHRSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@H]1CN(C(=O)c2c(O)cccc2F)C[C@H]1C ZINC000228857191 176259795 /nfs/dbraw/zinc/25/97/95/176259795.db2.gz QIYYRCXYEJFOKF-DTORHVGOSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C ZINC000283303394 176261326 /nfs/dbraw/zinc/26/13/26/176261326.db2.gz AAMKJCPZCXZORA-GHMZBOCLSA-N 0 1 243.310 2.062 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H]2CCCC[C@H]21 ZINC000273018120 176264346 /nfs/dbraw/zinc/26/43/46/176264346.db2.gz CBMWKMWNTNLCRZ-JFGNBEQYSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@H]2CCCC[C@@H]12 ZINC000273018123 176264418 /nfs/dbraw/zinc/26/44/18/176264418.db2.gz CBMWKMWNTNLCRZ-SCVCMEIPSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1ccc(F)cc1F ZINC000353585332 176266671 /nfs/dbraw/zinc/26/66/71/176266671.db2.gz RFXVHCHNMQQCSM-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(CC2=CCCCC2)CC[S@@](=O)C1 ZINC000336272862 176285158 /nfs/dbraw/zinc/28/51/58/176285158.db2.gz FSGOREHBUBMPCC-MLGOLLRUSA-N 0 1 241.400 2.187 20 0 BEADMN C[C@@H]1CN(CCC(=O)c2ccccc2)CCCO1 ZINC000061934013 176286524 /nfs/dbraw/zinc/28/65/24/176286524.db2.gz BBTLDVDKQKJYFC-CYBMUJFWSA-N 0 1 247.338 2.370 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCOc3ccccc32)CCO1 ZINC000362375528 176298135 /nfs/dbraw/zinc/29/81/35/176298135.db2.gz FRDMXRFSSKAOLU-OLZOCXBDSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)ncc2F)C[C@H]1C ZINC000294813334 176301824 /nfs/dbraw/zinc/30/18/24/176301824.db2.gz MDPKDKKNSSYPRQ-RKDXNWHRSA-N 0 1 226.270 2.448 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000280196454 176306727 /nfs/dbraw/zinc/30/67/27/176306727.db2.gz HQLFWQSNZFSDEE-HIFRSBDPSA-N 0 1 247.338 2.066 20 0 BEADMN C[C@H](C(=O)N(C)c1ccccc1)N1C[C@@H](C)[C@H]1C ZINC000339572636 176316327 /nfs/dbraw/zinc/31/63/27/176316327.db2.gz BBXCQCBMFBRBCX-JHJVBQTASA-N 0 1 246.354 2.378 20 0 BEADMN C[C@@H]1CNCCN1C(=O)CC1CCCCCC1 ZINC000125086475 176325964 /nfs/dbraw/zinc/32/59/64/176325964.db2.gz JVQLVZUHIGQOEM-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CSCCN1CCC(F)(F)F ZINC000306540551 176351947 /nfs/dbraw/zinc/35/19/47/176351947.db2.gz OWBPWUFIQBLVQL-SSDOTTSWSA-N 0 1 213.268 2.376 20 0 BEADMN C[C@@H]1COCCN1CCCc1cccc(F)c1 ZINC000272387465 176336035 /nfs/dbraw/zinc/33/60/35/176336035.db2.gz XCSRAURHUQCRKA-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN C[C@@H]1COCCN1Cc1cccc2[nH]ccc21 ZINC000091815141 176337173 /nfs/dbraw/zinc/33/71/73/176337173.db2.gz ZNCGZBGHFFIFJW-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1CO[C@@H](CO)CN1CCCC1CCCC1 ZINC000153192662 176346932 /nfs/dbraw/zinc/34/69/32/176346932.db2.gz UTQRKWHBTMWWPN-TZMCWYRMSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CSCCN(Cc2cncc(F)c2)C1 ZINC000276835450 176350266 /nfs/dbraw/zinc/35/02/66/176350266.db2.gz BQNMPAIMEBTMIB-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN C[C@@H]1C[C@@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000312973960 176363227 /nfs/dbraw/zinc/36/32/27/176363227.db2.gz CQNQBXLRJGFLNK-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@H]2CCCCO2)c2nccn21 ZINC000345355624 176376539 /nfs/dbraw/zinc/37/65/39/176376539.db2.gz SSIWPGCVRGMMLG-IJLUTSLNSA-N 0 1 235.331 2.048 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1c1ccnc2ccccc21 ZINC000336057181 176383491 /nfs/dbraw/zinc/38/34/91/176383491.db2.gz IPQVOTFQMCUJBR-GHMZBOCLSA-N 0 1 228.295 2.194 20 0 BEADMN C[C@H](O)CCNCc1ncc(C(C)(C)C)s1 ZINC000279227005 176965233 /nfs/dbraw/zinc/96/52/33/176965233.db2.gz YCVDUHDTAMRTOI-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN C[C@H](c1c(F)cccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000083662700 177031427 /nfs/dbraw/zinc/03/14/27/177031427.db2.gz YLFUSMLTVGQHMG-MRVPVSSYSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1CC[C@H](CO)C1 ZINC000174701592 177034670 /nfs/dbraw/zinc/03/46/70/177034670.db2.gz DCSVXFXNJBMXGE-ZJUUUORDSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C1CC1 ZINC000046601956 177037472 /nfs/dbraw/zinc/03/74/72/177037472.db2.gz KVYIECORDMAJKP-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C1CC1 ZINC000046601956 177037473 /nfs/dbraw/zinc/03/74/73/177037473.db2.gz KVYIECORDMAJKP-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(CO)o1 ZINC000335262513 177063890 /nfs/dbraw/zinc/06/38/90/177063890.db2.gz NBZXTSPGNDBVPP-JTQLQIEISA-N 0 1 223.316 2.392 20 0 BEADMN C[C@H]1CC/C(=C\C(=O)Nc2cn[nH]c2)C1 ZINC000267869814 177067024 /nfs/dbraw/zinc/06/70/24/177067024.db2.gz QAEIHXQTHAXAJZ-MOIHINDBSA-N 0 1 205.261 2.095 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132030268 177073381 /nfs/dbraw/zinc/07/33/81/177073381.db2.gz JCEVJACLLIVZHQ-WDEREUQCSA-N 0 1 247.342 2.231 20 0 BEADMN C[C@H]1CCCCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000158926671 177077896 /nfs/dbraw/zinc/07/78/96/177077896.db2.gz SYQDREHVUNQPCK-NSHDSACASA-N 0 1 249.358 2.091 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNCc1ncccn1 ZINC000054459617 177079800 /nfs/dbraw/zinc/07/98/00/177079800.db2.gz INHWDYMETLEKDZ-NWDGAFQWSA-N 0 1 219.332 2.393 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNCc1csnn1 ZINC000042858515 177080247 /nfs/dbraw/zinc/08/02/47/177080247.db2.gz LVUVQRBRTSFRRB-VHSXEESVSA-N 0 1 225.361 2.454 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC(=O)[O-] ZINC000042608460 177080687 /nfs/dbraw/zinc/08/06/87/177080687.db2.gz NAWPTNGHEDTYOC-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc[nH]1 ZINC000263701955 177081256 /nfs/dbraw/zinc/08/12/56/177081256.db2.gz SMOKUOJVXOAYBQ-ONGXEEELSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cncnc1 ZINC000284603863 177081262 /nfs/dbraw/zinc/08/12/62/177081262.db2.gz RIEGTNPHUIYRNG-AAEUAGOBSA-N 0 1 219.332 2.487 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000187200632 177088570 /nfs/dbraw/zinc/08/85/70/177088570.db2.gz AQGDSPZXNRDKOJ-JOYOIKCWSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000131559242 177094667 /nfs/dbraw/zinc/09/46/67/177094667.db2.gz HSDIDAFAYGVNPR-QWRGUYRKSA-N 0 1 247.342 2.088 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000052880986 177094795 /nfs/dbraw/zinc/09/47/95/177094795.db2.gz LCISCJMHKLYOCS-SWLSCSKDSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@H]1CCCN(C(=O)c2coc(CN)c2)CC1 ZINC000187546220 177095788 /nfs/dbraw/zinc/09/57/88/177095788.db2.gz FJQNYZRGUXGBSQ-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000273478012 177096488 /nfs/dbraw/zinc/09/64/88/177096488.db2.gz IIAQGRQPORIJGB-NSHDSACASA-N 0 1 247.342 2.020 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@H]1C(=O)[O-] ZINC000300269305 177101632 /nfs/dbraw/zinc/10/16/32/177101632.db2.gz COXIIEYQADXTMC-GXFFZTMASA-N 0 1 249.310 2.077 20 0 BEADMN C[C@H]1CCCN1C(=O)c1ccc(F)cc1O ZINC000123975917 177107745 /nfs/dbraw/zinc/10/77/45/177107745.db2.gz PVIQQQAJSNFNDQ-QMMMGPOBSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000077738030 177108704 /nfs/dbraw/zinc/10/87/04/177108704.db2.gz XWDQCLOSCQOOTF-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN C[C@H]1CCCN1CC(=O)Nc1cccc(F)c1 ZINC000154455978 177108888 /nfs/dbraw/zinc/10/88/88/177108888.db2.gz PIILJHJGAMCCDM-JTQLQIEISA-N 0 1 236.290 2.249 20 0 BEADMN C[C@H]1CCCN1Cc1cn2ccccc2n1 ZINC000174413067 177111019 /nfs/dbraw/zinc/11/10/19/177111019.db2.gz RXSDDLDQQNFWOI-NSHDSACASA-N 0 1 215.300 2.319 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000357434820 177113467 /nfs/dbraw/zinc/11/34/67/177113467.db2.gz GLKJGBLLAUEDEW-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)[C@H]2CCCN2C)C1 ZINC000357434820 177113469 /nfs/dbraw/zinc/11/34/69/177113469.db2.gz GLKJGBLLAUEDEW-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)CCc1cnc[nH]1 ZINC000074726949 177115333 /nfs/dbraw/zinc/11/53/33/177115333.db2.gz NKOPRJQQPIPSGB-PHIMTYICSA-N 0 1 235.331 2.132 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094565092 177122038 /nfs/dbraw/zinc/12/20/38/177122038.db2.gz ABQFPKHBUCAWHS-VHSXEESVSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCC[C@H](N(C)C(=O)c2cnc[nH]2)C1 ZINC000263662966 177134515 /nfs/dbraw/zinc/13/45/15/177134515.db2.gz JDOJRXJSCKJKAA-UWVGGRQHSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)c2cnccc2N)CC1 ZINC000235709547 177136115 /nfs/dbraw/zinc/13/61/15/177136115.db2.gz ALSKJOULKMDWMU-QWRGUYRKSA-N 0 1 247.342 2.362 20 0 BEADMN C[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000177051178 177155874 /nfs/dbraw/zinc/15/58/74/177155874.db2.gz GUFUQWHSNUXNQW-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CN(CC(=O)c2cccn2C)CC[C@@H]1C ZINC000123079967 177158759 /nfs/dbraw/zinc/15/87/59/177158759.db2.gz JKYDRTMBRFYYFU-RYUDHWBXSA-N 0 1 234.343 2.186 20 0 BEADMN C[C@H]1CCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000263655093 177161776 /nfs/dbraw/zinc/16/17/76/177161776.db2.gz CKUYTXBRRPTZCG-TVQRCGJNSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000263739892 177162199 /nfs/dbraw/zinc/16/21/99/177162199.db2.gz RGKUJJXRPMKABD-JOYOIKCWSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H]1CCN(Cc2cc(F)cc(F)c2)[C@@H]1CO ZINC000189728644 177163441 /nfs/dbraw/zinc/16/34/41/177163441.db2.gz ZRDRHCLRBAUJHK-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ccc(Cl)o2)[C@H]1CO ZINC000336505677 177164236 /nfs/dbraw/zinc/16/42/36/177164236.db2.gz AXZBKOBMXFXGRJ-WPRPVWTQSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000040718699 177166008 /nfs/dbraw/zinc/16/60/08/177166008.db2.gz LSINMKIDEGYKKE-JTQLQIEISA-N 0 1 219.284 2.227 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000336365728 177166662 /nfs/dbraw/zinc/16/66/62/177166662.db2.gz KCHIZVFXMCRUKB-VHSXEESVSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@H]1CN(Cc2cn3cccnc3n2)CC[C@@H]1C ZINC000122704917 177167080 /nfs/dbraw/zinc/16/70/80/177167080.db2.gz KCLZPAGQOSMEBZ-RYUDHWBXSA-N 0 1 244.342 2.207 20 0 BEADMN C[C@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000263646315 177168990 /nfs/dbraw/zinc/16/89/90/177168990.db2.gz AQLMGKULBOYPHC-VIFPVBQESA-N 0 1 233.271 2.171 20 0 BEADMN C[C@H]1CCN(c2ccncc2C(N)=O)C[C@H](C)C1 ZINC000302154661 177171676 /nfs/dbraw/zinc/17/16/76/177171676.db2.gz MZQCNLYPOMHZGG-WDEREUQCSA-N 0 1 247.342 2.053 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(O)cc1 ZINC000336540068 177199110 /nfs/dbraw/zinc/19/91/10/177199110.db2.gz UMGXESQDPSBQBZ-QWRGUYRKSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@H]1CC[C@H](CN(C)Cc2ccoc2)O1 ZINC000336689619 177200719 /nfs/dbraw/zinc/20/07/19/177200719.db2.gz DEOXZVYBHRKVTN-CMPLNLGQSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@H]1CN(C(=O)C2CCCCCC2)C[C@H](C)N1 ZINC000070076097 177213950 /nfs/dbraw/zinc/21/39/50/177213950.db2.gz WSSZDVJCOZNYAD-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCC2)[C@@H](C)CN1C ZINC000336527763 177239165 /nfs/dbraw/zinc/23/91/65/177239165.db2.gz CJDUERKKOFYTSQ-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@@H](C)CN1CCOCC(F)(F)C(F)F ZINC000339584506 177253475 /nfs/dbraw/zinc/25/34/75/177253475.db2.gz YRYHUIYPAMZIDE-JGVFFNPUSA-N 0 1 243.244 2.244 20 0 BEADMN C[C@H]1CN(CCc2cccnc2)C[C@H](C2CC2)O1 ZINC000279337297 177255667 /nfs/dbraw/zinc/25/56/67/177255667.db2.gz PHXCFJWXTDYYJI-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(C(=O)N(C)C)c1 ZINC000293003191 177265233 /nfs/dbraw/zinc/26/52/33/177265233.db2.gz NEIFKKKJXKDQJS-NWDGAFQWSA-N 0 1 246.354 2.229 20 0 BEADMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000280196460 177266093 /nfs/dbraw/zinc/26/60/93/177266093.db2.gz HQLFWQSNZFSDEE-ZFWWWQNUSA-N 0 1 247.338 2.066 20 0 BEADMN C[C@H]1CN(Cc2sccc2Cl)C[C@@H]1O ZINC000307585748 177272241 /nfs/dbraw/zinc/27/22/41/177272241.db2.gz NAUVUNPKDHWXAX-CBAPKCEASA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1CN(CCc2ccccc2)[C@@H](C)CO1 ZINC000220335172 177301914 /nfs/dbraw/zinc/30/19/14/177301914.db2.gz ZZEZGQKVHZKXNV-QWHCGFSZSA-N 0 1 219.328 2.338 20 0 BEADMN C[C@H]1CSCCN1Cc1cccc(O)c1 ZINC000179664968 177305205 /nfs/dbraw/zinc/30/52/05/177305205.db2.gz PCZUAWBZWPUKFI-JTQLQIEISA-N 0 1 223.341 2.330 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1sccc1Cl ZINC000306955297 177338635 /nfs/dbraw/zinc/33/86/35/177338635.db2.gz QEZGTKZYJKSVFQ-JGVFFNPUSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000355018533 177342943 /nfs/dbraw/zinc/34/29/43/177342943.db2.gz XQVPRCQBNJNKOA-NTSWFWBYSA-N 0 1 247.220 2.413 20 0 BEADMN C[C@H]1C[C@H](NCCF)C[N@H+]1Cc1ccccc1 ZINC000280977910 177369092 /nfs/dbraw/zinc/36/90/92/177369092.db2.gz IWNHSHJQHRYHOB-JSGCOSHPSA-N 0 1 236.334 2.209 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000043115488 177381065 /nfs/dbraw/zinc/38/10/65/177381065.db2.gz FVLZJZATSFEKPY-CBAPKCEASA-N 0 1 239.702 2.431 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C2CC2)C2CCC2)c1C ZINC000333535302 177538282 /nfs/dbraw/zinc/53/82/82/177538282.db2.gz QYLBCHKAEWWGOB-ZDUSSCGKSA-N 0 1 247.342 2.335 20 0 BEADMN CC[C@H]1CCN([C@@H](C)c2nc(C)no2)C1 ZINC000674868215 487639216 /nfs/dbraw/zinc/63/92/16/487639216.db2.gz OPJSOWGOSQAOPP-WPRPVWTQSA-N 0 1 209.293 2.171 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C(C)C)C2)n1 ZINC000674868683 487639306 /nfs/dbraw/zinc/63/93/06/487639306.db2.gz WRTNKVLLKKDFHY-GXSJLCMTSA-N 0 1 223.320 2.417 20 0 BEADMN C[C@H](CO)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000678044501 487644742 /nfs/dbraw/zinc/64/47/42/487644742.db2.gz SRCHWEBVAMWBGL-GUTXKFCHSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000665924435 487647839 /nfs/dbraw/zinc/64/78/39/487647839.db2.gz XAXDKIHAUXPRHF-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cn[nH]c2)c(C)n1 ZINC000494668824 226267835 /nfs/dbraw/zinc/26/78/35/226267835.db2.gz NIMHMLMIUIDDNU-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN COCCN(Cc1occc1C)C1CC1 ZINC000507153160 226366465 /nfs/dbraw/zinc/36/64/65/226366465.db2.gz ADKLODVTFUKFPV-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN Cc1ccnc(NCCC[C@H]2CCOC2)c1 ZINC000402219442 226368257 /nfs/dbraw/zinc/36/82/57/226368257.db2.gz OFYNNOFWDPURFJ-LBPRGKRZSA-N 0 1 220.316 2.041 20 0 BEADMN C[C@@H]1CCN(CCO[C@@H]2CCCCO2)C[C@H]1F ZINC000683524096 487667841 /nfs/dbraw/zinc/66/78/41/487667841.db2.gz VHJRDQIGYOODIM-JHJVBQTASA-N 0 1 245.338 2.210 20 0 BEADMN CCCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612150 487670474 /nfs/dbraw/zinc/67/04/74/487670474.db2.gz PQIAXELTRBSSLR-CYBMUJFWSA-N 0 1 233.311 2.471 20 0 BEADMN CN(Cc1cc(Cl)cn1C)[C@H]1CCCOC1 ZINC000675125518 487671397 /nfs/dbraw/zinc/67/13/97/487671397.db2.gz MWAWMXDMRDCNQD-NSHDSACASA-N 0 1 242.750 2.289 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nccs2)C12CCC2 ZINC000308340556 229228024 /nfs/dbraw/zinc/22/80/24/229228024.db2.gz IEDGIRMUVDXLMC-NXEZZACHSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1cnc(CN(CCCO)CC(C)(C)C)o1 ZINC000304311058 229348278 /nfs/dbraw/zinc/34/82/78/229348278.db2.gz LZPUJTAXAVJKLM-UHFFFAOYSA-N 0 1 240.347 2.214 20 0 BEADMN C[C@@H](NC(=O)C=CC1CCCCC1)c1nnc[nH]1 ZINC000174540122 229386086 /nfs/dbraw/zinc/38/60/86/229386086.db2.gz BSHAVVBOPWUMFS-QROSGCPLSA-N 0 1 248.330 2.118 20 0 BEADMN C[C@H](NC(=O)C=CC1CCCCC1)c1nnc[nH]1 ZINC000174540112 229386256 /nfs/dbraw/zinc/38/62/56/229386256.db2.gz BSHAVVBOPWUMFS-JARNTUPDSA-N 0 1 248.330 2.118 20 0 BEADMN CCCC1(C(=O)NCc2cc(C)[nH]n2)CCC1 ZINC000675225731 487682361 /nfs/dbraw/zinc/68/23/61/487682361.db2.gz IZCYERNTPWDGLB-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000675239454 487682782 /nfs/dbraw/zinc/68/27/82/487682782.db2.gz MZKAMCAGXXAYRY-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCOC1CCN(Cc2cnc(CC)nc2)CC1 ZINC000666295427 487682786 /nfs/dbraw/zinc/68/27/86/487682786.db2.gz SMXWVJVMVVAVNS-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2C[C@H](C)O)co1 ZINC000383958252 487683243 /nfs/dbraw/zinc/68/32/43/487683243.db2.gz HIWWBZGIERAMIT-GXFFZTMASA-N 0 1 238.331 2.108 20 0 BEADMN Cc1cncc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000228612577 487689363 /nfs/dbraw/zinc/68/93/63/487689363.db2.gz IUEQSWONZVPGBU-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cc(CNC(C)(C)c2cnn(C)c2)ccn1 ZINC000527539500 262855995 /nfs/dbraw/zinc/85/59/95/262855995.db2.gz QYWXOOUKDIIDTA-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN CCn1nncc1CNCc1cccc(C)c1C ZINC000527730662 262877310 /nfs/dbraw/zinc/87/73/10/262877310.db2.gz VONVBFFAJYWUOB-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1ncccc1CNCc1cccnc1C ZINC000527794308 262883036 /nfs/dbraw/zinc/88/30/36/262883036.db2.gz XZBKNMZNTLALQY-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC[C@@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC000074732331 262923262 /nfs/dbraw/zinc/92/32/62/262923262.db2.gz XXLMZVANTBDCKU-MRVPVSSYSA-N 0 1 217.272 2.091 20 0 BEADMN CC/C=C/CCN1CC[N@H+](CC)[C@H](C)C1 ZINC000681023950 487700649 /nfs/dbraw/zinc/70/06/49/487700649.db2.gz BLRPJBKHOZTWLR-KTRBRXNASA-N 0 1 210.365 2.369 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000044987296 487704237 /nfs/dbraw/zinc/70/42/37/487704237.db2.gz IUARHXJTBCIERL-RYUDHWBXSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](C)CCC(=O)NCc1cc(C)[nH]n1 ZINC000671724565 487708062 /nfs/dbraw/zinc/70/80/62/487708062.db2.gz VJTVCRVDJRZJLD-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN Cc1cc(CNC(=O)c2cc[nH]c2C(C)C)n[nH]1 ZINC000671724533 487708564 /nfs/dbraw/zinc/70/85/64/487708564.db2.gz LKFZVCXWOBSPME-UHFFFAOYSA-N 0 1 246.314 2.100 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccsc1)CC1CC1 ZINC000036886203 487718076 /nfs/dbraw/zinc/71/80/76/487718076.db2.gz GDCSRVHYNQMVEJ-UHFFFAOYSA-N 0 1 225.313 2.045 20 0 BEADMN CC(C)(C)CC[N@H+](CC(=O)[O-])CC1CC1 ZINC000036886316 487717768 /nfs/dbraw/zinc/71/77/68/487717768.db2.gz DXTXOKYMYYBSBJ-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN F[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC000902991818 584710220 /nfs/dbraw/zinc/71/02/20/584710220.db2.gz BWHQSGBUFFECDV-SECBINFHSA-N 0 1 207.239 2.466 20 0 BEADMN C[C@@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)N(C)C ZINC000674246392 487721575 /nfs/dbraw/zinc/72/15/75/487721575.db2.gz KDEWMLKRRJUEEL-XQHKEYJVSA-N 0 1 238.375 2.116 20 0 BEADMN COc1cc(C)ccc1CN(C)Cc1cnc[nH]1 ZINC000668421856 487725412 /nfs/dbraw/zinc/72/54/12/487725412.db2.gz IPIOTUGNFLFHKD-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN OC[C@@H](CCF)NCc1cccc(Cl)c1F ZINC000652018266 487729627 /nfs/dbraw/zinc/72/96/27/487729627.db2.gz OGXYRKCDSUPVPF-SECBINFHSA-N 0 1 249.688 2.289 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@H]1NCc1cccc(F)c1F ZINC000674912386 487732420 /nfs/dbraw/zinc/73/24/20/487732420.db2.gz ABGYWGLRMUBPGI-JOYOIKCWSA-N 0 1 240.297 2.005 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2CCC[C@@H]2C)n[nH]1 ZINC000681120429 487732569 /nfs/dbraw/zinc/73/25/69/487732569.db2.gz GOQRSKPUZHRGOG-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H]1CCC[C@@H](CCNCc2ncnn2C)C1 ZINC000088572238 487734695 /nfs/dbraw/zinc/73/46/95/487734695.db2.gz MNEZDNLXPGDXQF-NEPJUHHUSA-N 0 1 236.363 2.121 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000226398778 487734698 /nfs/dbraw/zinc/73/46/98/487734698.db2.gz PFOYESCPLHMVAP-TZMCWYRMSA-N 0 1 245.322 2.471 20 0 BEADMN C[C@@H]1CCC[C@H](CCNCc2ncnn2C)C1 ZINC000088572236 487734761 /nfs/dbraw/zinc/73/47/61/487734761.db2.gz MNEZDNLXPGDXQF-VXGBXAGGSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1cc(CNC(=O)c2cccc(C)c2F)n[nH]1 ZINC000675465386 487736881 /nfs/dbraw/zinc/73/68/81/487736881.db2.gz JXKOMIGFCCHOAI-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CCC(CC)(CC)C(=O)NCc1cnc[nH]1 ZINC000675472241 487737834 /nfs/dbraw/zinc/73/78/34/487737834.db2.gz NCHOKWLULZWAJW-UHFFFAOYSA-N 0 1 223.320 2.242 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CC12CCC2 ZINC000675477918 487739103 /nfs/dbraw/zinc/73/91/03/487739103.db2.gz BNHQNPCPBPXWGU-SECBINFHSA-N 0 1 242.282 2.087 20 0 BEADMN CN(CCOC(C)(C)C)Cc1cccn1C ZINC000675506373 487743426 /nfs/dbraw/zinc/74/34/26/487743426.db2.gz ZERPDWVYVJXXOM-UHFFFAOYSA-N 0 1 224.348 2.272 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000226446189 487747053 /nfs/dbraw/zinc/74/70/53/487747053.db2.gz RUSKJHLHQHOCIH-DGCLKSJQSA-N 0 1 231.295 2.080 20 0 BEADMN CC[C@H]1CCC[C@@H](NCc2ncn(C)n2)CC1 ZINC000234063176 487758568 /nfs/dbraw/zinc/75/85/68/487758568.db2.gz YKRQXBKAPSVWRK-NWDGAFQWSA-N 0 1 236.363 2.264 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(C)(C)C1 ZINC000684084266 487760171 /nfs/dbraw/zinc/76/01/71/487760171.db2.gz QVLMPNIAICKJID-UHFFFAOYSA-N 0 1 235.331 2.324 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000675720278 487769598 /nfs/dbraw/zinc/76/95/98/487769598.db2.gz VEIDQNNVDURBPI-UHNVWZDZSA-N 0 1 233.193 2.023 20 0 BEADMN CCCC(N)=NOCCCOC(C)(C)C ZINC000756879901 585324679 /nfs/dbraw/zinc/32/46/79/585324679.db2.gz RKVDVKDEBKXSHY-UHFFFAOYSA-N 0 1 216.325 2.490 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1CCCCCC(=O)[O-] ZINC000385223666 487773155 /nfs/dbraw/zinc/77/31/55/487773155.db2.gz KKYWPBUAYIYZPJ-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN CC(C)COC1CCN(CCF)CC1 ZINC000759325896 585367366 /nfs/dbraw/zinc/36/73/66/585367366.db2.gz BVFMTIIJHQTZRW-UHFFFAOYSA-N 0 1 203.301 2.093 20 0 BEADMN CCC(CC)N(C(=O)[C@H](C)N(C)C)C1CC1 ZINC000674287711 487779281 /nfs/dbraw/zinc/77/92/81/487779281.db2.gz YZIIINIKFUEHAK-JTQLQIEISA-N 0 1 226.364 2.116 20 0 BEADMN CCc1cc(N[C@H]2CCCc3cn[nH]c32)ncn1 ZINC000675801333 487780411 /nfs/dbraw/zinc/78/04/11/487780411.db2.gz FOWRFQPDVBAUPZ-NSHDSACASA-N 0 1 243.314 2.252 20 0 BEADMN C[C@H]1CCN(CCc2cccnc2)C[C@H]1F ZINC000679217597 487781479 /nfs/dbraw/zinc/78/14/79/487781479.db2.gz AASKWMGOGVAYNS-WCQYABFASA-N 0 1 222.307 2.304 20 0 BEADMN C[C@@H]1CCN(CCc2cccnc2)C[C@@H]1F ZINC000679217600 487781532 /nfs/dbraw/zinc/78/15/32/487781532.db2.gz AASKWMGOGVAYNS-YPMHNXCESA-N 0 1 222.307 2.304 20 0 BEADMN CC(C)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000044428288 487781679 /nfs/dbraw/zinc/78/16/79/487781679.db2.gz BLLKUUBQNREFTN-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(OCC2(C)COC2)cc(C)n1 ZINC000681359649 487783575 /nfs/dbraw/zinc/78/35/75/487783575.db2.gz LSGHKDLFQBPKOJ-UHFFFAOYSA-N 0 1 207.273 2.114 20 0 BEADMN COC[C@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000675882990 487786384 /nfs/dbraw/zinc/78/63/84/487786384.db2.gz ZPNVALUSZSSJTQ-ZDUSSCGKSA-N 0 1 238.331 2.313 20 0 BEADMN C[C@@H]1OCCN(Cc2cccc(N(C)C)c2)[C@H]1C ZINC000675897441 487789987 /nfs/dbraw/zinc/78/99/87/487789987.db2.gz WZQKBTUEMCSXFI-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN C[C@@H]1C[C@@H](NC2CC3(CCC3)C2)c2ncnn21 ZINC000668469359 487793581 /nfs/dbraw/zinc/79/35/81/487793581.db2.gz VCGKLHVYUNZEEZ-MWLCHTKSSA-N 0 1 232.331 2.206 20 0 BEADMN CC[C@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585210 487795124 /nfs/dbraw/zinc/79/51/24/487795124.db2.gz QOCYTPOSRMUJNR-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN O=C(C1CC1)[C@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000340573674 487795334 /nfs/dbraw/zinc/79/53/34/487795334.db2.gz FCHTXJRLCBOZII-GXTWGEPZSA-N 0 1 249.354 2.023 20 0 BEADMN COCCC1CN(Cc2ccc(C)cc2OC)C1 ZINC000668471878 487795917 /nfs/dbraw/zinc/79/59/17/487795917.db2.gz OOBZDUHSGZGZNU-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN CC(C)C(N)=NOCc1ncc(Cl)s1 ZINC000774779711 585665823 /nfs/dbraw/zinc/66/58/23/585665823.db2.gz YWUKJUOPLNCYSM-UHFFFAOYSA-N 0 1 233.724 2.451 20 0 BEADMN c1ccc2c(c1)CN([C@H]1CCCOC1)CCO2 ZINC000674300907 487797112 /nfs/dbraw/zinc/79/71/12/487797112.db2.gz ILYNUYWYAIWTOC-ZDUSSCGKSA-N 0 1 233.311 2.060 20 0 BEADMN C[C@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000675989455 487798935 /nfs/dbraw/zinc/79/89/35/487798935.db2.gz WUFOVSPRQHONMX-LBPRGKRZSA-N 0 1 242.326 2.109 20 0 BEADMN CCc1noc(CN2CC[C@@H](C)[C@@H]2CC)n1 ZINC000681470455 487800056 /nfs/dbraw/zinc/80/00/56/487800056.db2.gz UMPAEFZOAPESBN-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1cc(C)c(C(=O)NCc2cc(C)[nH]n2)o1 ZINC000676049739 487805917 /nfs/dbraw/zinc/80/59/17/487805917.db2.gz KRKFAMUZWVKEOZ-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN Cc1ccnc(NC[C@@H](O)C(C)(C)C)c1 ZINC000268304586 487806643 /nfs/dbraw/zinc/80/66/43/487806643.db2.gz IEFLEOMQLCRYLF-SNVBAGLBSA-N 0 1 208.305 2.209 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ncc[nH]1 ZINC000414356026 487808017 /nfs/dbraw/zinc/80/80/17/487808017.db2.gz ZRAPDZHQWMMXER-OPRDCNLKSA-N 0 1 217.272 2.209 20 0 BEADMN c1nc(CN2CC[C@H](C3CCC3)C2)co1 ZINC000666487651 487819551 /nfs/dbraw/zinc/81/95/51/487819551.db2.gz DKZOFVGCMXFRRN-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)n[nH]1 ZINC000668058905 487822822 /nfs/dbraw/zinc/82/28/22/487822822.db2.gz QCVWAZTUQNMJSR-GARJFASQSA-N 0 1 249.358 2.479 20 0 BEADMN Cc1ccc(CC[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000075795248 487829956 /nfs/dbraw/zinc/82/99/56/487829956.db2.gz BTUFJIQHSKIFAC-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H](C)N1C ZINC000815180216 586673091 /nfs/dbraw/zinc/67/30/91/586673091.db2.gz DIZOKDUSVXAEDC-FKRHBSQNSA-N 0 1 237.174 2.330 20 0 BEADMN CCc1ccc(N2CCN(CCOC)CC2)cc1 ZINC000076060188 487831293 /nfs/dbraw/zinc/83/12/93/487831293.db2.gz XAOCOTNWAXMSPF-UHFFFAOYSA-N 0 1 248.370 2.017 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@H](C)C2)oc1C ZINC000076111388 487832608 /nfs/dbraw/zinc/83/26/08/487832608.db2.gz MQQOSJKIWWEESP-DTORHVGOSA-N 0 1 208.305 2.379 20 0 BEADMN CCN1C[C@H](C)N(C(=O)OC2CCC2)C[C@H]1C ZINC000496345702 527968413 /nfs/dbraw/zinc/96/84/13/527968413.db2.gz NCARIWHSSHAAJU-MNOVXSKESA-N 0 1 240.347 2.090 20 0 BEADMN Cc1ncc([C@H](C)N(C)C[C@@H]2CCCO2)c(C)n1 ZINC000681659138 487833060 /nfs/dbraw/zinc/83/30/60/487833060.db2.gz VGPQPDHBMDTQAD-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](CO)CN1CCc2c(Cl)cccc2C1 ZINC000121027646 490073579 /nfs/dbraw/zinc/07/35/79/490073579.db2.gz NQPLJKKIYUVKPZ-JTQLQIEISA-N 0 1 239.746 2.327 20 0 BEADMN CC[C@H](C)N(C)Cc1cnnn1-c1ccccc1 ZINC000676300040 487833422 /nfs/dbraw/zinc/83/34/22/487833422.db2.gz ZREFHKHXZFGEJM-LBPRGKRZSA-N 0 1 244.342 2.498 20 0 BEADMN CC1(C)CN[C@@H]1c1nc(-c2ccco2)no1 ZINC000666573588 487833608 /nfs/dbraw/zinc/83/36/08/487833608.db2.gz WRIPMUNWFGUVCG-MRVPVSSYSA-N 0 1 219.244 2.000 20 0 BEADMN CCCONC(=O)[C@@H](C)c1cccs1 ZINC000844085354 588163732 /nfs/dbraw/zinc/16/37/32/588163732.db2.gz AFMWFBWPWUDNEC-QMMMGPOBSA-N 0 1 213.302 2.309 20 0 BEADMN C[C@@H]1CN(CCOC(F)F)CCC1(F)F ZINC000852058429 588658282 /nfs/dbraw/zinc/65/82/82/588658282.db2.gz XHKGHMJMCLBUBR-SSDOTTSWSA-N 0 1 229.217 2.203 20 0 BEADMN COc1cc(CN2CCCCC2)sn1 ZINC000307638697 487851021 /nfs/dbraw/zinc/85/10/21/487851021.db2.gz DBSHYJDFUMKPIB-UHFFFAOYSA-N 0 1 212.318 2.138 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H]3CCC[C@H]32)n[nH]1 ZINC000681748481 487852301 /nfs/dbraw/zinc/85/23/01/487852301.db2.gz SRIYPMPUGBHXTM-ZWNOBZJWSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@H](N[C@H]1CCC12CCOCC2)c1ccon1 ZINC000558622410 322952457 /nfs/dbraw/zinc/95/24/57/322952457.db2.gz FUQBISIBDFITFC-JQWIXIFHSA-N 0 1 236.315 2.284 20 0 BEADMN Cc1[nH]n(CCCOc2ccccc2)c(=O)c1C ZINC000109351770 487862425 /nfs/dbraw/zinc/86/24/25/487862425.db2.gz DEASBJALTSFKLJ-LLVKDONJSA-N 0 1 246.310 2.310 20 0 BEADMN CC[C@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000164651402 487867244 /nfs/dbraw/zinc/86/72/44/487867244.db2.gz PBNCSIPVHGCDJE-IUCAKERBSA-N 0 1 209.293 2.083 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304159882 487872912 /nfs/dbraw/zinc/87/29/12/487872912.db2.gz BGZVOTHAMZZAIB-GXSJLCMTSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1nnc(NC(=O)c2cccc(C(C)C)c2)[nH]1 ZINC000668210496 487876898 /nfs/dbraw/zinc/87/68/98/487876898.db2.gz CTRAVRWXRKGQTA-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cccc(C(C)C)c2)n1 ZINC000668210496 487876903 /nfs/dbraw/zinc/87/69/03/487876903.db2.gz CTRAVRWXRKGQTA-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN COCC1(C2CCC2)CN(CC2(F)CC2)C1 ZINC000668514396 487877670 /nfs/dbraw/zinc/87/76/70/487877670.db2.gz GFSFLVGNRARBKQ-UHFFFAOYSA-N 0 1 227.323 2.237 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@@H](C)C(C)(C)C ZINC000670268854 487879318 /nfs/dbraw/zinc/87/93/18/487879318.db2.gz CPEKFWHDGDJWQM-LLVKDONJSA-N 0 1 238.379 2.319 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(O)c(C)c1 ZINC000676650420 487887040 /nfs/dbraw/zinc/88/70/40/487887040.db2.gz KFKOGXPINQEUBO-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCOCCN(C)[C@H](C)c1cnc(C)nc1C ZINC000682074231 487896230 /nfs/dbraw/zinc/89/62/30/487896230.db2.gz CIKAAGYNDBBTPR-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN CN(Cc1cccn1C)Cc1ccc(CO)cc1 ZINC000679318704 487899957 /nfs/dbraw/zinc/89/99/57/487899957.db2.gz TVWGCVYGMIZKQM-UHFFFAOYSA-N 0 1 244.338 2.149 20 0 BEADMN Cn1ccnc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000229289015 487901775 /nfs/dbraw/zinc/90/17/75/487901775.db2.gz WXCKKUGEVSGTJA-GFCCVEGCSA-N 0 1 249.358 2.002 20 0 BEADMN C[C@@H]1COCCCN1CCC(F)(F)F ZINC000676714666 487902631 /nfs/dbraw/zinc/90/26/31/487902631.db2.gz XBKKXBKPXWSDET-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN COCc1cccc(CN(C)Cc2cn[nH]c2)c1 ZINC000676715681 487904334 /nfs/dbraw/zinc/90/43/34/487904334.db2.gz FVFUHJDDLMUNPK-UHFFFAOYSA-N 0 1 245.326 2.188 20 0 BEADMN CCCCNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000083368848 487908789 /nfs/dbraw/zinc/90/87/89/487908789.db2.gz HWRSOAQAHXFMLD-LLVKDONJSA-N 0 1 240.734 2.256 20 0 BEADMN Cc1nccnc1[C@H](C)NCCOCC1CCC1 ZINC000682142201 487913403 /nfs/dbraw/zinc/91/34/03/487913403.db2.gz ZKKOWWOTXALRBH-LBPRGKRZSA-N 0 1 249.358 2.252 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccsc1 ZINC000146838926 487913837 /nfs/dbraw/zinc/91/38/37/487913837.db2.gz KVXNVGLDHIFFKQ-SCZZXKLOSA-N 0 1 225.313 2.358 20 0 BEADMN COC(=O)c1occc1CNCCC(C)(F)F ZINC000357706990 487916573 /nfs/dbraw/zinc/91/65/73/487916573.db2.gz ITVZAGQVRTVQKN-UHFFFAOYSA-N 0 1 247.241 2.201 20 0 BEADMN C[C@H](NC(=O)CCc1cnc[nH]1)c1ccsc1 ZINC000669919323 487924025 /nfs/dbraw/zinc/92/40/25/487924025.db2.gz UBBGIAXNNFKEHT-VIFPVBQESA-N 0 1 249.339 2.281 20 0 BEADMN Clc1ccccc1-n1cc(CNC2CC2)nn1 ZINC000090299269 487929899 /nfs/dbraw/zinc/92/98/99/487929899.db2.gz RRWLTMPWTNRJRS-UHFFFAOYSA-N 0 1 248.717 2.173 20 0 BEADMN CCc1ccccc1-n1cc(CNC2CC2)nn1 ZINC000090299310 487929920 /nfs/dbraw/zinc/92/99/20/487929920.db2.gz CMKIBQYAMSINFV-UHFFFAOYSA-N 0 1 242.326 2.082 20 0 BEADMN CCCN(CC(C)C)C(=O)[C@H]1CCCCN1C ZINC000676871566 487938774 /nfs/dbraw/zinc/93/87/74/487938774.db2.gz KDXSHKRHLQOMIO-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC000396537195 487939239 /nfs/dbraw/zinc/93/92/39/487939239.db2.gz LZCBYLKHFNAOEC-MNOVXSKESA-N 0 1 235.331 2.003 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)C1 ZINC000669079309 487940769 /nfs/dbraw/zinc/94/07/69/487940769.db2.gz LADHVORVOVABGO-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN COCC1(N(C)Cc2cncc(C)c2)CC1 ZINC000682368551 487941615 /nfs/dbraw/zinc/94/16/15/487941615.db2.gz WTRBNXJXXZQZGT-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CCCn1cc(CN(C)CC2=CCCOC2)cn1 ZINC000668568937 487950170 /nfs/dbraw/zinc/95/01/70/487950170.db2.gz OSRVTSGYPQBOCB-UHFFFAOYSA-N 0 1 249.358 2.072 20 0 BEADMN C[C@@H]1C[C@H](NCCOC(F)(F)F)c2nccn21 ZINC000398256575 322868125 /nfs/dbraw/zinc/86/81/25/322868125.db2.gz QPWCEZMDIAYUBK-SFYZADRCSA-N 0 1 249.236 2.015 20 0 BEADMN Cn1ccc(CNCc2ccc3c(n2)CCC3)c1 ZINC000560603474 322990452 /nfs/dbraw/zinc/99/04/52/322990452.db2.gz XIAXEAIMEBQUKI-UHFFFAOYSA-N 0 1 241.338 2.199 20 0 BEADMN c1snnc1CNC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403706174 322991989 /nfs/dbraw/zinc/99/19/89/322991989.db2.gz DRUUFPMIVYQSSL-KXUCPTDWSA-N 0 1 223.345 2.064 20 0 BEADMN C[C@]12C[N@H+]([C@@H](C(=O)[O-])C3CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000566573147 323006074 /nfs/dbraw/zinc/00/60/74/323006074.db2.gz QXTXDRYSJQRJID-NLRWUALESA-N 0 1 249.354 2.218 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000245419922 323006276 /nfs/dbraw/zinc/00/62/76/323006276.db2.gz BCMWQCUGCPCGER-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN CCCNC(=O)[C@@H](C)N(CC)Cc1ccccc1 ZINC000151107501 323008735 /nfs/dbraw/zinc/00/87/35/323008735.db2.gz WDLZNHVQNUFWSW-CYBMUJFWSA-N 0 1 248.370 2.423 20 0 BEADMN Cc1ccc(CN[C@H](C)c2ccoc2)c(=O)n1C ZINC000562361397 323017774 /nfs/dbraw/zinc/01/77/74/323017774.db2.gz MHMZICCXWRDEBJ-LLVKDONJSA-N 0 1 246.310 2.138 20 0 BEADMN COC[C@H](N[C@@H](C)c1ccoc1)[C@@H]1CCCO1 ZINC000562425524 323019572 /nfs/dbraw/zinc/01/95/72/323019572.db2.gz FGVLXNGDYHNHGI-DRZSPHRISA-N 0 1 239.315 2.124 20 0 BEADMN C[C@@H](N[C@@H]1CCCC1(C)C)c1nccc(N)n1 ZINC000562442137 323020124 /nfs/dbraw/zinc/02/01/24/323020124.db2.gz KHEKJQKLUFYQRS-NXEZZACHSA-N 0 1 234.347 2.118 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)CC1CCCCC1 ZINC000562444283 323020167 /nfs/dbraw/zinc/02/01/67/323020167.db2.gz PJNKQUPUUWBEHH-LLVKDONJSA-N 0 1 248.374 2.462 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)CC1CCCCC1 ZINC000562444293 323020209 /nfs/dbraw/zinc/02/02/09/323020209.db2.gz PJNKQUPUUWBEHH-NSHDSACASA-N 0 1 248.374 2.462 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc2cccnc2o1 ZINC000562518555 323022682 /nfs/dbraw/zinc/02/26/82/323022682.db2.gz MVGRNWSUTREFOL-NWDGAFQWSA-N 0 1 232.283 2.095 20 0 BEADMN C[N@@H+](Cc1ccc2c(n1)CCC2)C1CCOCC1 ZINC000562679116 323027306 /nfs/dbraw/zinc/02/73/06/323027306.db2.gz KLCDSZVFBVVBEJ-UHFFFAOYSA-N 0 1 246.354 2.181 20 0 BEADMN CCC[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000562679149 323027388 /nfs/dbraw/zinc/02/73/88/323027388.db2.gz OVQHSNVHZFEGJY-LBPRGKRZSA-N 0 1 219.332 2.489 20 0 BEADMN CCCOc1ccc(CN2CC(C)(CO)C2)cc1 ZINC000562686734 323027588 /nfs/dbraw/zinc/02/75/88/323027588.db2.gz VXBWOCKKEURSND-UHFFFAOYSA-N 0 1 249.354 2.290 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000562962523 323036489 /nfs/dbraw/zinc/03/64/89/323036489.db2.gz UNOCZVPKVGMABD-GXTWGEPZSA-N 0 1 249.358 2.283 20 0 BEADMN CCCC[C@@H](CCC)CNC(=O)CN(C)C ZINC000150894604 323039498 /nfs/dbraw/zinc/03/94/98/323039498.db2.gz RPKKIEVSHAZACR-GFCCVEGCSA-N 0 1 228.380 2.271 20 0 BEADMN CC(C)(C)[C@H]1CC[C@H]1NCc1ncccn1 ZINC000569941427 323045433 /nfs/dbraw/zinc/04/54/33/323045433.db2.gz MDZDYYYEUYXQCJ-WDEREUQCSA-N 0 1 219.332 2.391 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccc(C)cc1OC ZINC000570157152 323051154 /nfs/dbraw/zinc/05/11/54/323051154.db2.gz VKRRABCIYAIZRJ-GXTWGEPZSA-N 0 1 235.327 2.271 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC(C)(C)O2)[nH]c1C ZINC000570345678 323057089 /nfs/dbraw/zinc/05/70/89/323057089.db2.gz SRIXHQDWHMJPLZ-NSHDSACASA-N 0 1 237.347 2.074 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CC12CCC(CC1)C2 ZINC000570403399 323058689 /nfs/dbraw/zinc/05/86/89/323058689.db2.gz NCVSOPFEXGTSDZ-AKJDGMEZSA-N 0 1 223.316 2.116 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000160069734 323059475 /nfs/dbraw/zinc/05/94/75/323059475.db2.gz VVVAOZTVFZGWOW-AAEUAGOBSA-N 0 1 233.311 2.372 20 0 BEADMN Cc1nc(CN[C@H]2CS[C@@H](C)C2)[nH]c1C ZINC000570739618 323069132 /nfs/dbraw/zinc/06/91/32/323069132.db2.gz CWFOCZZFUCVJLV-OIBJUYFYSA-N 0 1 225.361 2.010 20 0 BEADMN Cc1nc(CN[C@@H]2CS[C@@H](C)C2)[nH]c1C ZINC000570739620 323069163 /nfs/dbraw/zinc/06/91/63/323069163.db2.gz CWFOCZZFUCVJLV-XVKPBYJWSA-N 0 1 225.361 2.010 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@H]1Cc2ccccc21 ZINC000570818220 323071276 /nfs/dbraw/zinc/07/12/76/323071276.db2.gz OZTIAQURGCUVFV-CMPLNLGQSA-N 0 1 233.311 2.121 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1Cc2ccccc21 ZINC000570818224 323071431 /nfs/dbraw/zinc/07/14/31/323071431.db2.gz OZTIAQURGCUVFV-PWSUYJOCSA-N 0 1 233.311 2.121 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000160602664 323073443 /nfs/dbraw/zinc/07/34/43/323073443.db2.gz GAHXUILYLJEETD-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN Cc1cc(CC(=O)Nc2ccccc2F)n[nH]1 ZINC000082324130 323075730 /nfs/dbraw/zinc/07/57/30/323075730.db2.gz ABAUNHNOOUJGMM-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000047921289 323076690 /nfs/dbraw/zinc/07/66/90/323076690.db2.gz DQYBMWVUVCBZEA-AWEZNQCLSA-N 0 1 249.354 2.137 20 0 BEADMN C[N@@H+](CC/C=C/c1ccccc1)CCC(=O)[O-] ZINC000323347177 323077161 /nfs/dbraw/zinc/07/71/61/323077161.db2.gz ZDVKCBCAYLNLQO-WEVVVXLNSA-N 0 1 233.311 2.496 20 0 BEADMN CC(C)c1csc(CN[C@H](C)[C@H](C)O)n1 ZINC000562995316 323078692 /nfs/dbraw/zinc/07/86/92/323078692.db2.gz CDFXZEFZISSPPK-BDAKNGLRSA-N 0 1 228.361 2.125 20 0 BEADMN COCc1nc(CNC2(C3CC3)CC2)cs1 ZINC000309932212 323082791 /nfs/dbraw/zinc/08/27/91/323082791.db2.gz YKTWPGPUSIBXJH-UHFFFAOYSA-N 0 1 238.356 2.322 20 0 BEADMN F[C@H]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000563053624 323083036 /nfs/dbraw/zinc/08/30/36/323083036.db2.gz LEALLGGACSDSFX-YUMQZZPRSA-N 0 1 235.266 2.046 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cc(F)cc(F)c1 ZINC000525833017 323100111 /nfs/dbraw/zinc/10/01/11/323100111.db2.gz BNLCYRILWJKGEB-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1nnsc1CN1CCC2(CCC2)C1 ZINC000570971169 323102304 /nfs/dbraw/zinc/10/23/04/323102304.db2.gz ZMUGMOREIWDQDT-UHFFFAOYSA-N 0 1 223.345 2.223 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000571053419 323105619 /nfs/dbraw/zinc/10/56/19/323105619.db2.gz KKTBQYRRJQCIQH-SDDRHHMPSA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000571054219 323105696 /nfs/dbraw/zinc/10/56/96/323105696.db2.gz RTHKVFAZGDMWTL-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccncc1C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000571062295 323106041 /nfs/dbraw/zinc/10/60/41/323106041.db2.gz PMNLRSWMMGASFA-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1=CCCCC1 ZINC000563289222 323108701 /nfs/dbraw/zinc/10/87/01/323108701.db2.gz QDCSGHOWNRHQJB-CMPLNLGQSA-N 0 1 223.316 2.282 20 0 BEADMN CCc1cnc(CN(C)CC2CCOCC2)o1 ZINC000534310527 323116242 /nfs/dbraw/zinc/11/62/42/323116242.db2.gz XZBZZQLFGLYCIX-UHFFFAOYSA-N 0 1 238.331 2.095 20 0 BEADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)n(C)n1 ZINC000567124626 323122389 /nfs/dbraw/zinc/12/23/89/323122389.db2.gz NPSLVPRSLGEJRH-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)n(C)n1 ZINC000567124626 323122390 /nfs/dbraw/zinc/12/23/90/323122390.db2.gz NPSLVPRSLGEJRH-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN CCC(C)(C)OCCNCc1nc(C)c(C)[nH]1 ZINC000563442246 323126677 /nfs/dbraw/zinc/12/66/77/323126677.db2.gz ZDXZXIDIXDDZJT-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN COC(C)(C)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000563455239 323127297 /nfs/dbraw/zinc/12/72/97/323127297.db2.gz KYVSXGITCDBPRN-JTQLQIEISA-N 0 1 243.347 2.129 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543385 323129591 /nfs/dbraw/zinc/12/95/91/323129591.db2.gz USAMEFCIDVJQSF-WCBMZHEXSA-N 0 1 225.313 2.216 20 0 BEADMN C[C@H](NCCF)c1cncc(Br)c1 ZINC000563549593 323129933 /nfs/dbraw/zinc/12/99/33/323129933.db2.gz JPMKZFHNCYXAQR-ZETCQYMHSA-N 0 1 247.111 2.464 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccsc1 ZINC000563636512 323133186 /nfs/dbraw/zinc/13/31/86/323133186.db2.gz MCUYEVMUOLTMFN-MRVPVSSYSA-N 0 1 235.312 2.289 20 0 BEADMN C[C@H]1CCCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000571290712 323140440 /nfs/dbraw/zinc/14/04/40/323140440.db2.gz HEROSGPQAHDQBU-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN Cc1cccc(CCC[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000571410767 323144131 /nfs/dbraw/zinc/14/41/31/323144131.db2.gz WIMQBZPRWKKADX-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN Cc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)n[nH]1 ZINC000049519861 323161837 /nfs/dbraw/zinc/16/18/37/323161837.db2.gz PXBDGSYVJDASGK-SNVBAGLBSA-N 0 1 235.331 2.367 20 0 BEADMN Cc1nnc(CN[C@@H](C)C2CCC2)s1 ZINC000308628232 323176328 /nfs/dbraw/zinc/17/63/28/323176328.db2.gz XSORWWQFYKSCCL-ZETCQYMHSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1nccnc1[C@@H](C)NCCOC(C)(C)C ZINC000308701015 323177159 /nfs/dbraw/zinc/17/71/59/323177159.db2.gz YHHWBTXSXFCMJY-LLVKDONJSA-N 0 1 237.347 2.251 20 0 BEADMN CC(C)SCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000308779249 323177841 /nfs/dbraw/zinc/17/78/41/323177841.db2.gz BYDWHMQJXTYLCA-SNVBAGLBSA-N 0 1 231.361 2.067 20 0 BEADMN COC[C@@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000525874361 323182320 /nfs/dbraw/zinc/18/23/20/323182320.db2.gz AHFZYHKIJKJUHA-DZGCQCFKSA-N 0 1 249.354 2.342 20 0 BEADMN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ncn(C)n2)C1 ZINC000391955921 323183667 /nfs/dbraw/zinc/18/36/67/323183667.db2.gz WJSPQOZISWSFNV-IJLUTSLNSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@@H]1CCC[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000070565322 323200931 /nfs/dbraw/zinc/20/09/31/323200931.db2.gz KHRPRYGVHVETHX-SFYZADRCSA-N 0 1 238.360 2.312 20 0 BEADMN CC(C)=CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530169239 323205103 /nfs/dbraw/zinc/20/51/03/323205103.db2.gz ORAVPYZQXQZBDI-GFCCVEGCSA-N 0 1 235.283 2.230 20 0 BEADMN CCC[C@@H](N[C@@H](C(=O)OC)C1CC1)C1CCC1 ZINC000324710260 323268437 /nfs/dbraw/zinc/26/84/37/323268437.db2.gz BBGPFAXPPNANCE-CHWSQXEVSA-N 0 1 239.359 2.496 20 0 BEADMN CCCCOC1CCN(Cc2ccno2)CC1 ZINC000532582757 323278074 /nfs/dbraw/zinc/27/80/74/323278074.db2.gz MWFTXAVMXBHDIS-UHFFFAOYSA-N 0 1 238.331 2.456 20 0 BEADMN CCC[C@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000564004500 323348342 /nfs/dbraw/zinc/34/83/42/323348342.db2.gz JTECVKSGEALFTA-JTQLQIEISA-N 0 1 208.305 2.408 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000564004500 323348345 /nfs/dbraw/zinc/34/83/45/323348345.db2.gz JTECVKSGEALFTA-JTQLQIEISA-N 0 1 208.305 2.408 20 0 BEADMN FCCCSCc1n[nH]c(C2CC2)n1 ZINC000193692393 323367100 /nfs/dbraw/zinc/36/71/00/323367100.db2.gz FVBRPBLIXJPCKO-UHFFFAOYSA-N 0 1 215.297 2.275 20 0 BEADMN CCOCCN[C@H](C)c1ccncc1Cl ZINC000421820615 323632845 /nfs/dbraw/zinc/63/28/45/323632845.db2.gz NBCSLTQTZJKKCH-SECBINFHSA-N 0 1 228.723 2.422 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034730 323742303 /nfs/dbraw/zinc/74/23/03/323742303.db2.gz BIUQAFDNLZUIHG-GUBZILKMSA-N 0 1 226.295 2.295 20 0 BEADMN FC(F)(F)CCNCc1ccccn1 ZINC000059015789 324002060 /nfs/dbraw/zinc/00/20/60/324002060.db2.gz VDKWOIYWBZYIMR-UHFFFAOYSA-N 0 1 204.195 2.124 20 0 BEADMN COC(=O)c1occc1CNC1(C)CCC1 ZINC000162982485 324190894 /nfs/dbraw/zinc/19/08/94/324190894.db2.gz JOQPEXSTULRLRW-UHFFFAOYSA-N 0 1 223.272 2.098 20 0 BEADMN CCCCOCCN1C[C@@H](C)O[C@@H](CC)C1 ZINC000522082906 324200268 /nfs/dbraw/zinc/20/02/68/324200268.db2.gz SFFALNVMHUTSPL-OLZOCXBDSA-N 0 1 229.364 2.302 20 0 BEADMN Fc1ccc(CN[C@@H]2C[C@H]2c2ccco2)nc1 ZINC000529608825 324364061 /nfs/dbraw/zinc/36/40/61/324364061.db2.gz ZVZJSXDYFYQCRK-VXGBXAGGSA-N 0 1 232.258 2.459 20 0 BEADMN C[C@@H](NCc1ncccn1)C1CC(F)(F)C1 ZINC000529619076 324365999 /nfs/dbraw/zinc/36/59/99/324365999.db2.gz CFWCRFOVLXVDBA-MRVPVSSYSA-N 0 1 227.258 2.000 20 0 BEADMN c1coc(CC2CN(CC3=CCCOC3)C2)c1 ZINC000529648405 324371572 /nfs/dbraw/zinc/37/15/72/324371572.db2.gz BRNFDQLJKOZHDM-UHFFFAOYSA-N 0 1 233.311 2.101 20 0 BEADMN O=C(NCC1CC=CC1)c1ccc(F)cc1O ZINC000529708692 324381485 /nfs/dbraw/zinc/38/14/85/324381485.db2.gz AYEWCAPUHCUTFS-UHFFFAOYSA-N 0 1 235.258 2.227 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H](C)C1 ZINC000130379231 325046739 /nfs/dbraw/zinc/04/67/39/325046739.db2.gz CCBNXPLTZXGRPH-NWDGAFQWSA-N 0 1 221.348 2.288 20 0 BEADMN COc1ccccc1[C@@H](CO)N[C@H]1C=CCCC1 ZINC000543840573 325116438 /nfs/dbraw/zinc/11/64/38/325116438.db2.gz WEIZTMHMSMUALA-GXTWGEPZSA-N 0 1 247.338 2.427 20 0 BEADMN COc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000072722219 325169731 /nfs/dbraw/zinc/16/97/31/325169731.db2.gz BABFUAKYUUSAKT-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN CN(C)c1ccncc1C(=O)NCCCC1CC1 ZINC000545394337 325218243 /nfs/dbraw/zinc/21/82/43/325218243.db2.gz DSWLLPIAICUDGS-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN Cc1ccc(CNC(C)(C)c2cnn(C)c2)cn1 ZINC000545999028 325256644 /nfs/dbraw/zinc/25/66/44/325256644.db2.gz FYPCVWPDRYDBRB-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN Cc1oncc1NCc1ccc2nc[nH]c2c1 ZINC000546655945 325299395 /nfs/dbraw/zinc/29/93/95/325299395.db2.gz JVRJDAWZPDJQJC-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CCC[C@@]1(C)CCC[N@@H+](CC(=O)NCC)C1 ZINC000076145914 325333427 /nfs/dbraw/zinc/33/34/27/325333427.db2.gz UUEQPSBYZCTGLE-ZDUSSCGKSA-N 0 1 226.364 2.025 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000134704914 325372479 /nfs/dbraw/zinc/37/24/79/325372479.db2.gz DDQHSSWVYMKXPB-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000134704949 325372513 /nfs/dbraw/zinc/37/25/13/325372513.db2.gz DDQHSSWVYMKXPB-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@]1(CO)CCCN1Cc1c(F)cccc1F ZINC000547745494 325391131 /nfs/dbraw/zinc/39/11/31/325391131.db2.gz QUNVRUNVCDYCQS-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)N(C)Cc1ccccc1 ZINC000547769360 325395017 /nfs/dbraw/zinc/39/50/17/325395017.db2.gz JHMUERZUCUGJDX-STQMWFEESA-N 0 1 246.354 2.128 20 0 BEADMN C[C@@H](C(=O)NCc1ccccc1)N1[C@H](C)C[C@H]1C ZINC000547770598 325395646 /nfs/dbraw/zinc/39/56/46/325395646.db2.gz VLFKKJNOMSLQQI-UPJWGTAASA-N 0 1 246.354 2.174 20 0 BEADMN Cc1cccc(CNC(=O)CN2[C@H](C)C[C@H]2C)c1 ZINC000548096117 325428281 /nfs/dbraw/zinc/42/82/81/325428281.db2.gz HJXNYGJKOZDHET-CHWSQXEVSA-N 0 1 246.354 2.094 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1[C@H](C)C[C@H]1C ZINC000548426841 325454670 /nfs/dbraw/zinc/45/46/70/325454670.db2.gz NGEJWWMRNJKZLJ-YNEHKIRRSA-N 0 1 240.391 2.362 20 0 BEADMN C1CO[C@@H](c2noc([C@@H]3CCCCCN3)n2)C1 ZINC000087800888 325641163 /nfs/dbraw/zinc/64/11/63/325641163.db2.gz VEVCENGZHPMEHI-VHSXEESVSA-N 0 1 237.303 2.126 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCC1=CCCC1 ZINC000677113174 487969614 /nfs/dbraw/zinc/96/96/14/487969614.db2.gz BCFHDZQJSUVDBJ-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nc2ncccn2n1 ZINC000565704120 325945168 /nfs/dbraw/zinc/94/51/68/325945168.db2.gz VRURNXIAUMNFIC-JTQLQIEISA-N 0 1 247.346 2.039 20 0 BEADMN Cc1nnsc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000566299137 326028351 /nfs/dbraw/zinc/02/83/51/326028351.db2.gz RSOHGTZBLHDURE-RKDXNWHRSA-N 0 1 225.361 2.324 20 0 BEADMN Cc1nnsc1CN1CC[C@H](C)[C@H](C)C1 ZINC000566299135 326030186 /nfs/dbraw/zinc/03/01/86/326030186.db2.gz RSOHGTZBLHDURE-DTWKUNHWSA-N 0 1 225.361 2.324 20 0 BEADMN C[C@@H](NC(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000566319929 326032691 /nfs/dbraw/zinc/03/26/91/326032691.db2.gz VZQPXKGXTVNAGH-SNVBAGLBSA-N 0 1 245.326 2.499 20 0 BEADMN CCCCN(C(=O)[C@@H](C)N1CC(C)C1)C1CC1 ZINC000566433100 326046513 /nfs/dbraw/zinc/04/65/13/326046513.db2.gz NWVKTXGCLCCFEC-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)N(C(=O)[C@H](C)N1CC(C)C1)C1CCC1 ZINC000566444822 326048963 /nfs/dbraw/zinc/04/89/63/326048963.db2.gz LGVSOEDDJQGEOF-LBPRGKRZSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C1CCCC1 ZINC000566465917 326051659 /nfs/dbraw/zinc/05/16/59/326051659.db2.gz MPPGWPUXBUMDGT-MNOVXSKESA-N 0 1 249.358 2.283 20 0 BEADMN Cc1nc(CNCCOC2CCCC2)[nH]c1C ZINC000566496143 326051697 /nfs/dbraw/zinc/05/16/97/326051697.db2.gz BVDAIKVXBLJZJZ-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN FC1(CN2CCC[C@H](OCC3CC3)C2)CC1 ZINC000566595628 326066864 /nfs/dbraw/zinc/06/68/64/326066864.db2.gz FGLNMEKXPCOBRC-LBPRGKRZSA-N 0 1 227.323 2.380 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000566625623 326069578 /nfs/dbraw/zinc/06/95/78/326069578.db2.gz CYYGQHKEGNLZAA-GYSYKLTISA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000566860252 326089489 /nfs/dbraw/zinc/08/94/89/326089489.db2.gz ISRJIPXGQZCSIW-WCQYABFASA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C1 ZINC000566979310 326099351 /nfs/dbraw/zinc/09/93/51/326099351.db2.gz SNIIJQMWDFBBQG-GWCFXTLKSA-N 0 1 233.311 2.463 20 0 BEADMN C[C@H](c1ccccn1)N(C)Cc1ncccc1O ZINC000567000633 326100560 /nfs/dbraw/zinc/10/05/60/326100560.db2.gz KAQKDGHKVCILPA-LLVKDONJSA-N 0 1 243.310 2.375 20 0 BEADMN CC(C)[C@H]1CCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000567059674 326109066 /nfs/dbraw/zinc/10/90/66/326109066.db2.gz DKQGJBYKBVECKR-WCQYABFASA-N 0 1 249.358 2.235 20 0 BEADMN Cc1ccn2c(CN(C)C3CC3)cnc2c1 ZINC000153768885 326112338 /nfs/dbraw/zinc/11/23/38/326112338.db2.gz YBMJHYBUOVNTRY-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN CC[C@H]1CCCN([C@H](C)c2nccc(N)n2)CC1 ZINC000567120536 326119613 /nfs/dbraw/zinc/11/96/13/326119613.db2.gz FUMPSGLNMWZJES-NEPJUHHUSA-N 0 1 248.374 2.462 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000567173402 326129468 /nfs/dbraw/zinc/12/94/68/326129468.db2.gz YQZXTFMYEYSOTR-VIFPVBQESA-N 0 1 223.272 2.137 20 0 BEADMN CS[C@H]1CCCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000567173321 326129477 /nfs/dbraw/zinc/12/94/77/326129477.db2.gz VWTTUGRUOACJEK-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN CC(C)[C@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000567288460 326156388 /nfs/dbraw/zinc/15/63/88/326156388.db2.gz PWBUDCGVFKXSKT-NEPJUHHUSA-N 0 1 249.358 2.093 20 0 BEADMN CC[C@]1(C)CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000567359153 326173492 /nfs/dbraw/zinc/17/34/92/326173492.db2.gz LSOXGRPFMABUDV-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cnc(C2CC2)s1 ZINC000309966634 326177441 /nfs/dbraw/zinc/17/74/41/326177441.db2.gz NSLCOSZIZLKWJM-WDEREUQCSA-N 0 1 238.356 2.288 20 0 BEADMN CC[C@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000567403353 326184567 /nfs/dbraw/zinc/18/45/67/326184567.db2.gz MPAHAPKYTMFOTC-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CCC1 ZINC000310536610 326194949 /nfs/dbraw/zinc/19/49/49/326194949.db2.gz RIROLPQVWKWPGA-SRVKXCTJSA-N 0 1 237.343 2.362 20 0 BEADMN CC1(C)CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000567661041 326240313 /nfs/dbraw/zinc/24/03/13/326240313.db2.gz AMELLMVMVRKCNY-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN CC1(C)CCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000567661041 326240315 /nfs/dbraw/zinc/24/03/15/326240315.db2.gz AMELLMVMVRKCNY-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN C[C@@H]1C[C@@H](NCCOCC2CCC2)c2nccn21 ZINC000567846246 326268937 /nfs/dbraw/zinc/26/89/37/326268937.db2.gz JWQAIAOWNUUOEC-DGCLKSJQSA-N 0 1 249.358 2.295 20 0 BEADMN CCN(CC1CC1)[C@@H](C)c1nnc(C)o1 ZINC000157977064 326302679 /nfs/dbraw/zinc/30/26/79/326302679.db2.gz YOCPEEBEZAHTJJ-QMMMGPOBSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@@]1(C)C(=O)[O-] ZINC000568075719 326304745 /nfs/dbraw/zinc/30/47/45/326304745.db2.gz ZHXMPBVTEDWIEC-NQBHXWOUSA-N 0 1 223.316 2.138 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)[C@H](C)N1CC(C)C1 ZINC000568105462 326308983 /nfs/dbraw/zinc/30/89/83/326308983.db2.gz VIWAMKUGIQYMFU-AAEUAGOBSA-N 0 1 240.391 2.221 20 0 BEADMN CC(=O)c1cc(CN2C[C@@H]3CCCC[C@@H]3C2)on1 ZINC000568182269 326322350 /nfs/dbraw/zinc/32/23/50/326322350.db2.gz KECDPTXESLVQPE-TXEJJXNPSA-N 0 1 248.326 2.499 20 0 BEADMN CC(C)SCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568292400 326341994 /nfs/dbraw/zinc/34/19/94/326341994.db2.gz LWFKZMOHUHFGAR-JTQLQIEISA-N 0 1 245.388 2.456 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568639071 326370249 /nfs/dbraw/zinc/37/02/49/326370249.db2.gz KKLCEKHFMYQDEB-RDBSUJKOSA-N 0 1 245.322 2.197 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000568757668 326375212 /nfs/dbraw/zinc/37/52/12/326375212.db2.gz FRRDRXGROKCWPX-ZYOFXKKJSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1noc(CNC2(C3CCC3)CCC2)n1 ZINC000568959260 326383612 /nfs/dbraw/zinc/38/36/12/326383612.db2.gz STQIEOLTTIAILZ-UHFFFAOYSA-N 0 1 221.304 2.190 20 0 BEADMN CC(C)COCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000568990127 326384960 /nfs/dbraw/zinc/38/49/60/326384960.db2.gz DLERAFJNRPRDFX-LBPRGKRZSA-N 0 1 245.363 2.090 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000569018647 326386994 /nfs/dbraw/zinc/38/69/94/326386994.db2.gz BYGDOFCOOGOAKB-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1C[N@H+]([C@@H](CC(C)C)C(=O)[O-])CCS1 ZINC000569251025 326397786 /nfs/dbraw/zinc/39/77/86/326397786.db2.gz GLDNUSOXMNAHEA-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@H]1C[N@H+]([C@H](CC(C)C)C(=O)[O-])CCS1 ZINC000569251026 326397820 /nfs/dbraw/zinc/39/78/20/326397820.db2.gz GLDNUSOXMNAHEA-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC000158848400 487978691 /nfs/dbraw/zinc/97/86/91/487978691.db2.gz QFHARERBIYEUNV-UHFFFAOYSA-N 0 1 217.268 2.110 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H](C)c2cscn2)C1 ZINC000666149178 487983562 /nfs/dbraw/zinc/98/35/62/487983562.db2.gz FIOSWQAHWXKCQU-BBBLOLIVSA-N 0 1 226.345 2.361 20 0 BEADMN CCN1CCN(C(=O)C2CCCCC2)C[C@@H]1C ZINC000677173278 487987435 /nfs/dbraw/zinc/98/74/35/487987435.db2.gz LAGDVEKUJCKWRB-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CCN(C(=O)CC2CCCC2)C[C@H]1C ZINC000677175607 487988706 /nfs/dbraw/zinc/98/87/06/487988706.db2.gz HHHQQAXETCNRAY-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CCN(C(=O)CC2CCCC2)C[C@@H]1C ZINC000677175608 487989817 /nfs/dbraw/zinc/98/98/17/487989817.db2.gz HHHQQAXETCNRAY-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677176136 487990908 /nfs/dbraw/zinc/99/09/08/487990908.db2.gz LMKLCXXDGPDEIH-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000162044787 487992213 /nfs/dbraw/zinc/99/22/13/487992213.db2.gz HMTUQMPOACJZKJ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCOC[C@H](C)NCc1ccncc1Cl ZINC000084084911 487998207 /nfs/dbraw/zinc/99/82/07/487998207.db2.gz UWAHXZIIWXBMNL-VIFPVBQESA-N 0 1 228.723 2.250 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667423587 488000073 /nfs/dbraw/zinc/00/00/73/488000073.db2.gz QHIMPFSONRYPBS-WDEREUQCSA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@](C)(NCc1csnn1)C1CC1 ZINC000668611372 488004835 /nfs/dbraw/zinc/00/48/35/488004835.db2.gz DEVSWQMFAMQEJG-JTQLQIEISA-N 0 1 211.334 2.206 20 0 BEADMN Cc1cc(CNC[C@@H]2Cc3ccccc3O2)on1 ZINC000090874490 488010599 /nfs/dbraw/zinc/01/05/99/488010599.db2.gz BPHDTPGROVUTRX-LBPRGKRZSA-N 0 1 244.294 2.076 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ncn(C)n1 ZINC000391830699 488019396 /nfs/dbraw/zinc/01/93/96/488019396.db2.gz GVPWIVBODCEQPA-FIQHERPVSA-N 0 1 236.363 2.290 20 0 BEADMN CC[C@@H](NC)c1nc(-c2cccc(OC)c2)no1 ZINC000044626014 488029378 /nfs/dbraw/zinc/02/93/78/488029378.db2.gz OONCFRNMVPTBFG-LLVKDONJSA-N 0 1 247.298 2.416 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(OC)cc2)no1 ZINC000044625994 488029870 /nfs/dbraw/zinc/02/98/70/488029870.db2.gz PPXBFKSIDBCVCR-NSHDSACASA-N 0 1 247.298 2.416 20 0 BEADMN FC(F)(F)C1=CCN([C@@H]2CCCOC2)CC1 ZINC000677448624 488038563 /nfs/dbraw/zinc/03/85/63/488038563.db2.gz ATXJROHJXAQKCW-SNVBAGLBSA-N 0 1 235.249 2.360 20 0 BEADMN FC(F)(F)C1=CCN([C@H]2CCCOC2)CC1 ZINC000677448622 488038380 /nfs/dbraw/zinc/03/83/80/488038380.db2.gz ATXJROHJXAQKCW-JTQLQIEISA-N 0 1 235.249 2.360 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365206970 488052056 /nfs/dbraw/zinc/05/20/56/488052056.db2.gz ZPWHVVQIOUCLHS-GXTWGEPZSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000667650187 488072947 /nfs/dbraw/zinc/07/29/47/488072947.db2.gz OPHDYNFZFNISII-RYUDHWBXSA-N 0 1 233.359 2.450 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000670085404 488074393 /nfs/dbraw/zinc/07/43/93/488074393.db2.gz YPHJHSKUICZTDI-DGCLKSJQSA-N 0 1 239.338 2.125 20 0 BEADMN CCn1nccc1CCN1CC[C@@H](C)[C@H](F)C1 ZINC000670085404 488074396 /nfs/dbraw/zinc/07/43/96/488074396.db2.gz YPHJHSKUICZTDI-DGCLKSJQSA-N 0 1 239.338 2.125 20 0 BEADMN c1ccc2c(CN[C@H]3CCCOC3)noc2c1 ZINC000515433618 488075289 /nfs/dbraw/zinc/07/52/89/488075289.db2.gz VRNVYEJQHFPSEE-JTQLQIEISA-N 0 1 232.283 2.096 20 0 BEADMN c1c(CN2CC[C@H](C3CC3)C2)nnn1C1CCC1 ZINC000667680882 488084364 /nfs/dbraw/zinc/08/43/64/488084364.db2.gz VABLSVPAXGRLJX-LBPRGKRZSA-N 0 1 246.358 2.235 20 0 BEADMN C[C@@H](C(=O)NCC1CCC(C)(C)CC1)N(C)C ZINC000677620939 488085864 /nfs/dbraw/zinc/08/58/64/488085864.db2.gz HLALIYYMYLCWPP-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN Nc1nc2c(c(NCc3ccco3)n1)CCCC2 ZINC000257756095 488087790 /nfs/dbraw/zinc/08/77/90/488087790.db2.gz WGWRRVKWCUDUNX-UHFFFAOYSA-N 0 1 244.298 2.143 20 0 BEADMN O=C1NCCCC[C@@H]1N1CC[C@@H]1c1ccccc1 ZINC000677687080 488092906 /nfs/dbraw/zinc/09/29/06/488092906.db2.gz CXCPGEBUUTYQDS-KGLIPLIRSA-N 0 1 244.338 2.102 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000680346780 488098158 /nfs/dbraw/zinc/09/81/58/488098158.db2.gz RJRRVBLSLUIORI-LDYMZIIASA-N 0 1 242.282 2.066 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cscn1 ZINC000271157960 488101926 /nfs/dbraw/zinc/10/19/26/488101926.db2.gz RNIUIRDUXSBAHX-CDLYGTGVSA-N 0 1 224.329 2.114 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cscn1 ZINC000271157963 488102051 /nfs/dbraw/zinc/10/20/51/488102051.db2.gz RNIUIRDUXSBAHX-SJQPAMGKSA-N 0 1 224.329 2.114 20 0 BEADMN C[C@H](C1CCC1)N(C)CC(=O)c1cccn1C ZINC000325686759 487536581 /nfs/dbraw/zinc/53/65/81/487536581.db2.gz MQDNPNPKXXNDCD-LLVKDONJSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@@H](c1ccncc1)N1CC[C@H](OC(F)F)C1 ZINC000670108111 488116401 /nfs/dbraw/zinc/11/64/01/488116401.db2.gz GWZKGSBVFRFMDU-ONGXEEELSA-N 0 1 242.269 2.456 20 0 BEADMN Cc1csc(CN[C@H]2CO[C@H](C3CC3)C2)n1 ZINC000667775115 488117952 /nfs/dbraw/zinc/11/79/52/488117952.db2.gz BMQVWSOGMNFNGW-MNOVXSKESA-N 0 1 238.356 2.109 20 0 BEADMN Cc1csc(CN[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667775114 488117757 /nfs/dbraw/zinc/11/77/57/488117757.db2.gz BMQVWSOGMNFNGW-GHMZBOCLSA-N 0 1 238.356 2.109 20 0 BEADMN C[C@@H](O)C1(NCc2cc(Cl)ccc2F)CC1 ZINC000668698218 488128769 /nfs/dbraw/zinc/12/87/69/488128769.db2.gz XGPVWZSHTLSHHX-MRVPVSSYSA-N 0 1 243.709 2.482 20 0 BEADMN CC(C)c1cnc(CNC2([C@H](C)O)CC2)s1 ZINC000668699084 488129835 /nfs/dbraw/zinc/12/98/35/488129835.db2.gz LRAGJFGBFNWNOF-VIFPVBQESA-N 0 1 240.372 2.270 20 0 BEADMN C[C@H](O)C1(NCc2ccc(F)c(F)c2F)CC1 ZINC000668699573 488131141 /nfs/dbraw/zinc/13/11/41/488131141.db2.gz FUAKZPHGKXEQGF-ZETCQYMHSA-N 0 1 245.244 2.107 20 0 BEADMN C(C[N@H+]1CCc2n[nH]nc2C1)C1CCCCC1 ZINC000683222476 488132354 /nfs/dbraw/zinc/13/23/54/488132354.db2.gz JMOSZWMCURLBPZ-UHFFFAOYSA-N 0 1 234.347 2.133 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000086728380 487540240 /nfs/dbraw/zinc/54/02/40/487540240.db2.gz SWMAYDQTRBXJHC-JTQLQIEISA-N 0 1 237.299 2.139 20 0 BEADMN C[C@@H](C(=O)NC1(C)CCC(C)CC1)N(C)C ZINC000674264421 487542346 /nfs/dbraw/zinc/54/23/46/487542346.db2.gz WOKLIWLNXPMIGL-AKJDGMEZSA-N 0 1 226.364 2.022 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN1CCc2nn[nH]c2C1 ZINC000668790850 487543123 /nfs/dbraw/zinc/54/31/23/487543123.db2.gz FPUHGIQCGMCROG-NEPJUHHUSA-N 0 1 246.358 2.155 20 0 BEADMN NCc1ccc(C(=O)N(CC2CC2)CC2CC2)o1 ZINC000094572264 487545970 /nfs/dbraw/zinc/54/59/70/487545970.db2.gz VXSWFVGXSYJHDN-UHFFFAOYSA-N 0 1 248.326 2.001 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2ccn(C)c2c1)N(C)C ZINC000674286864 487546454 /nfs/dbraw/zinc/54/64/54/487546454.db2.gz CYTHWOCPJIADLG-JTQLQIEISA-N 0 1 245.326 2.067 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000308832338 487547928 /nfs/dbraw/zinc/54/79/28/487547928.db2.gz USHYMLXCWGCMMI-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)[C@H](C)N(C)C ZINC000674288496 487549642 /nfs/dbraw/zinc/54/96/42/487549642.db2.gz GRXYTQNJMFGWSS-MNOVXSKESA-N 0 1 228.380 2.268 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)[C@H](C)N(C)C ZINC000674288497 487549804 /nfs/dbraw/zinc/54/98/04/487549804.db2.gz GRXYTQNJMFGWSS-QWRGUYRKSA-N 0 1 228.380 2.268 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCS[C@@H](C)C1 ZINC000220983751 487550417 /nfs/dbraw/zinc/55/04/17/487550417.db2.gz AXLSRMRUVBSGAB-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@@H](C(=O)NCCCCC1CCCC1)N(C)C ZINC000674289306 487550743 /nfs/dbraw/zinc/55/07/43/487550743.db2.gz FQGQAKRRNJNWSZ-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000680257982 487554666 /nfs/dbraw/zinc/55/46/66/487554666.db2.gz JCYVUFSOGGHODX-NWDGAFQWSA-N 0 1 245.326 2.132 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2CCCC2)c1 ZINC000680259051 487554415 /nfs/dbraw/zinc/55/44/15/487554415.db2.gz UHJYFKJAGKXYKQ-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000135034984 487555033 /nfs/dbraw/zinc/55/50/33/487555033.db2.gz KKJMTANUWYLRFZ-MRVPVSSYSA-N 0 1 235.274 2.074 20 0 BEADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000135034984 487555036 /nfs/dbraw/zinc/55/50/36/487555036.db2.gz KKJMTANUWYLRFZ-MRVPVSSYSA-N 0 1 235.274 2.074 20 0 BEADMN COc1ccnc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000680071127 487532453 /nfs/dbraw/zinc/53/24/53/487532453.db2.gz UEHSPSXFLJQZEX-SECBINFHSA-N 0 1 242.269 2.177 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@H](N)c1ccccc1)C1CC1 ZINC000324115844 487532988 /nfs/dbraw/zinc/53/29/88/487532988.db2.gz RQDZNISNVGKVBO-ZIAGYGMSSA-N 0 1 246.354 2.237 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])[C@H]1C=CCCC1 ZINC000167795582 487471884 /nfs/dbraw/zinc/47/18/84/487471884.db2.gz ZTJADQFRASNPGJ-NSHDSACASA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H](NCC(=O)N(C)C1CC1)c1ccsc1 ZINC000061362597 487472084 /nfs/dbraw/zinc/47/20/84/487472084.db2.gz LPIZCAYWDLADQT-SECBINFHSA-N 0 1 238.356 2.020 20 0 BEADMN C[C@H](NCC(=O)N(C)C1CC1)c1ccsc1 ZINC000061362596 487472224 /nfs/dbraw/zinc/47/22/24/487472224.db2.gz LPIZCAYWDLADQT-VIFPVBQESA-N 0 1 238.356 2.020 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)NC1CC1 ZINC000061363256 487472995 /nfs/dbraw/zinc/47/29/95/487472995.db2.gz ILHGRILJUWXACQ-DTWKUNHWSA-N 0 1 238.356 2.066 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ncc(Cl)s1 ZINC000673939106 487486231 /nfs/dbraw/zinc/48/62/31/487486231.db2.gz YYWWWFKFLUQOAW-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN C[C@@H](C[N@H+](CC(=O)[O-])CC1CC1)C(C)(C)C ZINC000380799570 487486972 /nfs/dbraw/zinc/48/69/72/487486972.db2.gz CDOYKXBPVZVFBB-JTQLQIEISA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc2cc(CN3CC(CCO)C3)[nH]c2c1 ZINC000668231901 487498411 /nfs/dbraw/zinc/49/84/11/487498411.db2.gz RMGRJDGNMICIKY-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN CO[C@H]1CCCN(Cc2ncc(C)s2)CC1 ZINC000679953982 487504060 /nfs/dbraw/zinc/50/40/60/487504060.db2.gz NUZZLTKPYONPEV-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(C(C)C)CC1 ZINC000682693961 487512348 /nfs/dbraw/zinc/51/23/48/487512348.db2.gz UJDWCNUMKIOFTC-AWNIVKPZSA-N 0 1 236.359 2.061 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220513897 487509538 /nfs/dbraw/zinc/50/95/38/487509538.db2.gz HBWWMOOBMJDQSZ-LLVKDONJSA-N 0 1 249.358 2.163 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@H](C)c1ncc[nH]1)OC ZINC000295851903 487514634 /nfs/dbraw/zinc/51/46/34/487514634.db2.gz BBGSIDOMRHVDGP-HBNTYKKESA-N 0 1 225.336 2.121 20 0 BEADMN CC[C@H](O)CN(C)Cc1cc(C)ccc1F ZINC000339128453 488143240 /nfs/dbraw/zinc/14/32/40/488143240.db2.gz GYJGOOIIWOQTPU-LBPRGKRZSA-N 0 1 225.307 2.337 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)C2CCCC2)n[nH]1 ZINC000674093464 487518332 /nfs/dbraw/zinc/51/83/32/487518332.db2.gz HBUCIDWUFXTGJZ-JTQLQIEISA-N 0 1 235.331 2.161 20 0 BEADMN C=Cn1cc(CN(C)CC2=CCSC2)cn1 ZINC000668775341 487520639 /nfs/dbraw/zinc/52/06/39/487520639.db2.gz UAHYZPJADDYBFJ-UHFFFAOYSA-N 0 1 235.356 2.089 20 0 BEADMN c1nc(CN[C@@H]2CC[C@@H]2C2CCC2)co1 ZINC000308819506 487522565 /nfs/dbraw/zinc/52/25/65/487522565.db2.gz BNCZUJDSORUCNU-VXGBXAGGSA-N 0 1 206.289 2.343 20 0 BEADMN c1n[nH]cc1CN1CCC[C@@H]1c1cccnc1 ZINC000685452950 487526654 /nfs/dbraw/zinc/52/66/54/487526654.db2.gz MPMCOMJDQSNTNL-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000379826178 488153014 /nfs/dbraw/zinc/15/30/14/488153014.db2.gz WMPSAXZIRFQKGF-VHSXEESVSA-N 0 1 215.337 2.321 20 0 BEADMN CCc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000674244751 487533995 /nfs/dbraw/zinc/53/39/95/487533995.db2.gz MRDBNODKYLOLJA-JTQLQIEISA-N 0 1 220.316 2.138 20 0 BEADMN Cc1cc(CN[C@@H]2CCC(F)(F)C2)nn1C ZINC000666288474 487622909 /nfs/dbraw/zinc/62/29/09/487622909.db2.gz SICSZPHLWZNYJG-SECBINFHSA-N 0 1 229.274 2.006 20 0 BEADMN CCc1cc(N[C@@H](C)Cc2cc(C)n[nH]2)ncn1 ZINC000676030680 487801117 /nfs/dbraw/zinc/80/11/17/487801117.db2.gz WYRHMUYFWXXSHG-VIFPVBQESA-N 0 1 245.330 2.114 20 0 BEADMN c1n[nH]cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000681498850 487806398 /nfs/dbraw/zinc/80/63/98/487806398.db2.gz JJRSRCGGLJHRMY-UHFFFAOYSA-N 0 1 239.322 2.457 20 0 BEADMN CCCc1cc(C(=O)N(C)CCC(C)C)n[nH]1 ZINC000045505855 487842353 /nfs/dbraw/zinc/84/23/53/487842353.db2.gz HDRAPUSXCCKYOW-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CC[C@@]1(C)COCCN1Cc1ccc(O)cc1 ZINC000682405746 487949439 /nfs/dbraw/zinc/94/94/39/487949439.db2.gz AIRTVSZSXOLZGO-AWEZNQCLSA-N 0 1 235.327 2.393 20 0 BEADMN CC[C@]1(C)CN(Cc2ccc(O)cc2)CCO1 ZINC000682408106 487952023 /nfs/dbraw/zinc/95/20/23/487952023.db2.gz DBVUNIFSQWHHGC-CQSZACIVSA-N 0 1 235.327 2.393 20 0 BEADMN c1cc(COc2ccccc2-c2nnc[nH]2)on1 ZINC000677235020 488003046 /nfs/dbraw/zinc/00/30/46/488003046.db2.gz HSFQDHSNPPFHKZ-UHFFFAOYSA-N 0 1 242.238 2.039 20 0 BEADMN C[C@H](NCc1n[nH]c2ccccc12)c1cn[nH]c1 ZINC000677425399 488034353 /nfs/dbraw/zinc/03/43/53/488034353.db2.gz BILVLXOYDYXFHM-VIFPVBQESA-N 0 1 241.298 2.137 20 0 BEADMN C[C@H](NCc1[nH]nc2ccccc21)c1cn[nH]c1 ZINC000677425399 488034356 /nfs/dbraw/zinc/03/43/56/488034356.db2.gz BILVLXOYDYXFHM-VIFPVBQESA-N 0 1 241.298 2.137 20 0 BEADMN CN[C@H](C)c1cn(-c2cccc(Cl)c2)nn1 ZINC000258818354 488136645 /nfs/dbraw/zinc/13/66/45/488136645.db2.gz RGWHQFFHEYPIHV-MRVPVSSYSA-N 0 1 236.706 2.201 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000669264318 488136792 /nfs/dbraw/zinc/13/67/92/488136792.db2.gz CMNIJBVWXOYEDL-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN Clc1ccc(CN2CC[C@H]3COC[C@@H]3C2)o1 ZINC000668704965 488142956 /nfs/dbraw/zinc/14/29/56/488142956.db2.gz GGAVIPSTZVSOHU-UWVGGRQHSA-N 0 1 241.718 2.401 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CO[C@H](C3CC3)C2)n1 ZINC000667872500 488144836 /nfs/dbraw/zinc/14/48/36/488144836.db2.gz BISMWLZEZMCDRV-KGLIPLIRSA-N 0 1 249.358 2.121 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000197360180 488152462 /nfs/dbraw/zinc/15/24/62/488152462.db2.gz MVLFBPHTIWSQEH-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CCNCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000085273760 488154909 /nfs/dbraw/zinc/15/49/09/488154909.db2.gz UTPNFERXOGFFKA-UHFFFAOYSA-N 0 1 236.706 2.030 20 0 BEADMN CCc1cnc(CN[C@H](CO)CC(C)C)s1 ZINC000390455695 488157876 /nfs/dbraw/zinc/15/78/76/488157876.db2.gz CQQJFOYEQAHGBU-JTQLQIEISA-N 0 1 242.388 2.202 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000230797871 488158130 /nfs/dbraw/zinc/15/81/30/488158130.db2.gz HPPWXBPOFQBKGX-RISCZKNCSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1nc2c(n1CCc1ccnn1C)CCCC2 ZINC000230900812 488170521 /nfs/dbraw/zinc/17/05/21/488170521.db2.gz PTKHAUBBSOEOPG-UHFFFAOYSA-N 0 1 244.342 2.047 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)Nc1ccccc1 ZINC000059908991 488171016 /nfs/dbraw/zinc/17/10/16/488171016.db2.gz DANKOAJWIIZPBQ-ZDUSSCGKSA-N 0 1 247.342 2.292 20 0 BEADMN Cc1cc(CNC(=O)[C@]2(C)CC=C(C)CC2)n[nH]1 ZINC000668732156 488172970 /nfs/dbraw/zinc/17/29/70/488172970.db2.gz ITFZSZGXPDRRQJ-CQSZACIVSA-N 0 1 247.342 2.471 20 0 BEADMN CC(C)(CC(=O)N1CCc2nc[nH]c2C1)C1CC1 ZINC000627372064 488182441 /nfs/dbraw/zinc/18/24/41/488182441.db2.gz BFXXTPCSLMVRDQ-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000678045601 488182463 /nfs/dbraw/zinc/18/24/63/488182463.db2.gz HWOMWFOTEYRSOM-UTLUCORTSA-N 0 1 223.320 2.417 20 0 BEADMN c1c(CN2CC[C@H]3CCC[C@@H]32)nnn1C1CCC1 ZINC000668013149 488186021 /nfs/dbraw/zinc/18/60/21/488186021.db2.gz QWYVRWBTKURGJB-RISCZKNCSA-N 0 1 246.358 2.378 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@@]1(C)CO ZINC000668738995 488190087 /nfs/dbraw/zinc/19/00/87/488190087.db2.gz HWYMLBSFODNNRA-SKDRFNHKSA-N 0 1 243.734 2.383 20 0 BEADMN C[C@@H](NCCOCC1CCCC1)c1ncc[nH]1 ZINC000453403386 488190711 /nfs/dbraw/zinc/19/07/11/488190711.db2.gz QNUQFZAOIYQVKV-LLVKDONJSA-N 0 1 237.347 2.267 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1sccc1OC ZINC000650807083 488197748 /nfs/dbraw/zinc/19/77/48/488197748.db2.gz OFPXKVNIOANJSC-MRVPVSSYSA-N 0 1 243.328 2.052 20 0 BEADMN CC(C)N(CC(N)=O)Cc1ccccc1C1CC1 ZINC000678123518 488200239 /nfs/dbraw/zinc/20/02/39/488200239.db2.gz ZVRIRCJCCFZSTG-UHFFFAOYSA-N 0 1 246.354 2.260 20 0 BEADMN CC1CN(Cc2c(C3CCC3)cnn2C)C1 ZINC000668093822 488201886 /nfs/dbraw/zinc/20/18/86/488201886.db2.gz VDMZFGUBYRDJDP-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN CCOc1ccc(CNCCF)c(C)c1 ZINC000668099541 488203217 /nfs/dbraw/zinc/20/32/17/488203217.db2.gz MJXCJHTYAQIAPI-UHFFFAOYSA-N 0 1 211.280 2.453 20 0 BEADMN CC(C)OCCN1CC2(C1)CC(F)(F)C2 ZINC000677731630 488214916 /nfs/dbraw/zinc/21/49/16/488214916.db2.gz AXFXIHBBBSFHSW-UHFFFAOYSA-N 0 1 219.275 2.143 20 0 BEADMN CN(Cc1cn2cccc(F)c2n1)CC1CC1 ZINC000678192833 488216202 /nfs/dbraw/zinc/21/62/02/488216202.db2.gz KYSGVIVQSOTXSN-UHFFFAOYSA-N 0 1 233.290 2.315 20 0 BEADMN Cc1cnc(CN[C@@H](C)Cc2ccc(O)cc2)o1 ZINC000231637907 488217199 /nfs/dbraw/zinc/21/71/99/488217199.db2.gz ZASBSHWSPRWOOU-JTQLQIEISA-N 0 1 246.310 2.409 20 0 BEADMN Cc1cc(CNCc2scnc2C2CC2)[nH]n1 ZINC000683771322 488218477 /nfs/dbraw/zinc/21/84/77/488218477.db2.gz FOVLMYNEIXHNMA-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1ccnc(N)c1 ZINC000683785917 488222182 /nfs/dbraw/zinc/22/21/82/488222182.db2.gz FDGNUPXNKULAGO-MRVPVSSYSA-N 0 1 246.314 2.119 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1C(=O)[O-] ZINC000398732752 488223377 /nfs/dbraw/zinc/22/33/77/488223377.db2.gz NAHMHJFFWNSRKG-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CN(Cc2n[nH]c3ccccc32)CCCO1 ZINC000678239277 488223136 /nfs/dbraw/zinc/22/31/36/488223136.db2.gz XXGJYMADDBETLV-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cccc([C@H]2CCCN2Cc2cn[nH]c2)n1 ZINC000678268097 488230824 /nfs/dbraw/zinc/23/08/24/488230824.db2.gz XEBNFTXZIICKJX-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN CN(Cc1cn2cccc(F)c2n1)C1CCC1 ZINC000678269034 488232153 /nfs/dbraw/zinc/23/21/53/488232153.db2.gz GYRCAPQOADZQOX-UHFFFAOYSA-N 0 1 233.290 2.458 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000035159930 488235339 /nfs/dbraw/zinc/23/53/39/488235339.db2.gz NDWZGCUUKZBQNE-QWRGUYRKSA-N 0 1 211.305 2.116 20 0 BEADMN CCc1ccc(NC(=O)[C@H](C)N(C)C)cc1C ZINC000678332385 488241241 /nfs/dbraw/zinc/24/12/41/488241241.db2.gz QHQIVLDABDKGBL-NSHDSACASA-N 0 1 234.343 2.446 20 0 BEADMN Cc1cccc(OC[C@H](O)CN2CC(C)(C)C2)c1 ZINC000683924715 488245858 /nfs/dbraw/zinc/24/58/58/488245858.db2.gz VXONBDWSAKGDAW-CYBMUJFWSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@H](CCO)C2)o1 ZINC000678463532 488257590 /nfs/dbraw/zinc/25/75/90/488257590.db2.gz VRLGOGIWQJFEQJ-VXGBXAGGSA-N 0 1 238.331 2.138 20 0 BEADMN CC1(C)CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000684079645 488260868 /nfs/dbraw/zinc/26/08/68/488260868.db2.gz VYXFZOHEZGTEIR-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN CC(C)=CCC[C@@H](C)NCc1nnnn1C1CC1 ZINC000678592199 488268414 /nfs/dbraw/zinc/26/84/14/488268414.db2.gz ASVWONUIAZKYGU-LLVKDONJSA-N 0 1 249.362 2.233 20 0 BEADMN CC(C)=CCC[C@H](C)NCc1nnnn1C1CC1 ZINC000678592201 488268690 /nfs/dbraw/zinc/26/86/90/488268690.db2.gz ASVWONUIAZKYGU-NSHDSACASA-N 0 1 249.362 2.233 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1cn[nH]c1 ZINC000678623784 488272926 /nfs/dbraw/zinc/27/29/26/488272926.db2.gz MLEVINWHVXMFQV-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN Cc1nnc([C@@H](C)NC[C@@H]2CCC(F)(F)C2)o1 ZINC000684654462 488336329 /nfs/dbraw/zinc/33/63/29/488336329.db2.gz KDDMYAKMCBMPGP-VXNVDRBHSA-N 0 1 245.273 2.464 20 0 BEADMN FC1(CN2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000684357134 488300073 /nfs/dbraw/zinc/30/00/73/488300073.db2.gz XWLHIKFYLSYPSY-SNVBAGLBSA-N 0 1 223.295 2.091 20 0 BEADMN Cc1ccc(CCCNCc2cocn2)cn1 ZINC000684379664 488302908 /nfs/dbraw/zinc/30/29/08/488302908.db2.gz KSFWFFITJVWEPG-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC(C)C ZINC000673731414 488306075 /nfs/dbraw/zinc/30/60/75/488306075.db2.gz WMOKAKDXNZFBMI-UHFFFAOYSA-N 0 1 249.236 2.123 20 0 BEADMN CCN(CC)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673731223 488306184 /nfs/dbraw/zinc/30/61/84/488306184.db2.gz QBUGNPYVURPBJD-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN COc1cccc(CN2CC(C(C)C)C2)n1 ZINC000684408665 488307862 /nfs/dbraw/zinc/30/78/62/488307862.db2.gz MDGHFNRRMQCMAQ-UHFFFAOYSA-N 0 1 220.316 2.178 20 0 BEADMN CC(=O)NC1CCC(NC(C)(C)C(F)F)CC1 ZINC000684413986 488309647 /nfs/dbraw/zinc/30/96/47/488309647.db2.gz OBJNZZGIVUDWAE-UHFFFAOYSA-N 0 1 248.317 2.067 20 0 BEADMN CO[C@@H](C)[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127379 488311249 /nfs/dbraw/zinc/31/12/49/488311249.db2.gz MGHMMEVWQVPYBP-QWRGUYRKSA-N 0 1 246.314 2.103 20 0 BEADMN CC[C@H](COC)Nc1cnn(-c2ccncc2)c1 ZINC000679128675 488311439 /nfs/dbraw/zinc/31/14/39/488311439.db2.gz YBPPJTRJQNCMLK-LLVKDONJSA-N 0 1 246.314 2.104 20 0 BEADMN CC(C)OCCN1CC[C@@H](C)[C@H](F)C1 ZINC000679222181 488319709 /nfs/dbraw/zinc/31/97/09/488319709.db2.gz NUJBCYQJDHIPGN-GHMZBOCLSA-N 0 1 203.301 2.091 20 0 BEADMN C[C@@H]1CCN(CCCc2cnn(C)c2)C[C@H]1F ZINC000679224173 488321285 /nfs/dbraw/zinc/32/12/85/488321285.db2.gz NVAYMKJYQDGVIH-DGCLKSJQSA-N 0 1 239.338 2.033 20 0 BEADMN CC[C@H](CO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684580858 488328644 /nfs/dbraw/zinc/32/86/44/488328644.db2.gz LTAHXEPRASTERE-SECBINFHSA-N 0 1 232.283 2.123 20 0 BEADMN c1nc(CN2C3CCCC2CCC3)c[nH]1 ZINC000684616510 488332260 /nfs/dbraw/zinc/33/22/60/488332260.db2.gz DRFREQWSEDXTSW-UHFFFAOYSA-N 0 1 205.305 2.317 20 0 BEADMN Cc1cccn2c(CN3CC=CCC3)cnc12 ZINC000679357542 488344583 /nfs/dbraw/zinc/34/45/83/488344583.db2.gz ZKXYRAZSFINEFX-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)c2)C[C@H]1F ZINC000679358419 488345170 /nfs/dbraw/zinc/34/51/70/488345170.db2.gz IILBWZIXHVPMDN-ZYHUDNBSSA-N 0 1 210.296 2.205 20 0 BEADMN c1ccc2c(CN3CC=CCC3)n[nH]c2c1 ZINC000679359592 488346099 /nfs/dbraw/zinc/34/60/99/488346099.db2.gz OGVYXIBRESIAQK-UHFFFAOYSA-N 0 1 213.284 2.325 20 0 BEADMN c1ccc2c(c1)n[nH]c2CN1CC=CCC1 ZINC000679359592 488346104 /nfs/dbraw/zinc/34/61/04/488346104.db2.gz OGVYXIBRESIAQK-UHFFFAOYSA-N 0 1 213.284 2.325 20 0 BEADMN Cn1ccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000679741095 488365574 /nfs/dbraw/zinc/36/55/74/488365574.db2.gz UQUFDLYSTCCKDQ-NSHDSACASA-N 0 1 244.285 2.229 20 0 BEADMN CC1CCN(CC(=O)NCCCC2CC2)CC1 ZINC000119863604 490052788 /nfs/dbraw/zinc/05/27/88/490052788.db2.gz FDDJKUQNPPEBNV-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1nc2cccc(C(=O)Nc3cnoc3)c2[nH]1 ZINC000670062765 490108608 /nfs/dbraw/zinc/10/86/08/490108608.db2.gz SIWUUEINLXOMDU-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@](CO)(NCc1cncs1)c1ccccc1 ZINC000122156230 490126989 /nfs/dbraw/zinc/12/69/89/490126989.db2.gz QKYWORUBSBOFPU-CYBMUJFWSA-N 0 1 248.351 2.140 20 0 BEADMN C[C@H](Cc1ccsc1)NCc1ccon1 ZINC000122423717 490139348 /nfs/dbraw/zinc/13/93/48/490139348.db2.gz RDGATJWMOSDVTA-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN Cc1cc(N2N=C3CCCCC[C@H]3C2=O)ncn1 ZINC000109522627 490163090 /nfs/dbraw/zinc/16/30/90/490163090.db2.gz OXHWMHDJDHNPOB-SNVBAGLBSA-N 0 1 244.298 2.068 20 0 BEADMN C[C@@H](C(=O)NCC[C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000078744473 490225082 /nfs/dbraw/zinc/22/50/82/490225082.db2.gz IYDDSFQZIFHSOK-AGIUHOORSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](C(=O)N1CC2(CC2)c2ccccc21)N(C)C ZINC000078748084 490226817 /nfs/dbraw/zinc/22/68/17/490226817.db2.gz FPEVWQDMGWJDTJ-NSHDSACASA-N 0 1 244.338 2.015 20 0 BEADMN CC[C@@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071079407 490255448 /nfs/dbraw/zinc/25/54/48/490255448.db2.gz MDMNYFQZASKZST-SNVBAGLBSA-N 0 1 245.326 2.153 20 0 BEADMN CO[C@@H]1CCC[C@H](N[C@H](C)C(F)F)C1 ZINC000389931711 490275189 /nfs/dbraw/zinc/27/51/89/490275189.db2.gz IZVPHYDHJXCYKR-HRDYMLBCSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)cn1 ZINC000228886408 490305110 /nfs/dbraw/zinc/30/51/10/490305110.db2.gz ZZBUNISFJAHOPR-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CCC[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000125661049 490439787 /nfs/dbraw/zinc/43/97/87/490439787.db2.gz BLIIKYQJGUCGSZ-UHFFFAOYSA-N 0 1 219.284 2.153 20 0 BEADMN Cc1cc(CN[C@@H](C)CC(F)(F)F)on1 ZINC000125697469 490440250 /nfs/dbraw/zinc/44/02/50/490440250.db2.gz IIZKQDDRWVLIOS-ZETCQYMHSA-N 0 1 222.210 2.414 20 0 BEADMN C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)C1CC1 ZINC000079769064 490462449 /nfs/dbraw/zinc/46/24/49/490462449.db2.gz QVQVNDWWOKNMKI-CYBMUJFWSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1nc2cc(NC3CSC3)ccc2n1C ZINC000075169830 490518799 /nfs/dbraw/zinc/51/87/99/490518799.db2.gz IBEIQRKCEIXERL-UHFFFAOYSA-N 0 1 233.340 2.409 20 0 BEADMN C[C@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000092471625 490577121 /nfs/dbraw/zinc/57/71/21/490577121.db2.gz QSVSZGJWIRVYFZ-MEDUHNTESA-N 0 1 237.368 2.266 20 0 BEADMN Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000305817606 490621583 /nfs/dbraw/zinc/62/15/83/490621583.db2.gz KGQBZXHIBOYTCB-GXSJLCMTSA-N 0 1 239.363 2.166 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(O)cc1 ZINC000131418137 490636664 /nfs/dbraw/zinc/63/66/64/490636664.db2.gz GCXSVIYZVDIKPG-DGCLKSJQSA-N 0 1 235.327 2.392 20 0 BEADMN FC1(F)CC[C@@H](NCc2nccs2)C1 ZINC000306561662 490642822 /nfs/dbraw/zinc/64/28/22/490642822.db2.gz NJYOGRZDJMIZTN-SSDOTTSWSA-N 0 1 218.272 2.421 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1F ZINC000086803682 491062102 /nfs/dbraw/zinc/06/21/02/491062102.db2.gz JHEVPEPFOBDYHK-LLVKDONJSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1Cc1cccn1C ZINC000651912013 491078566 /nfs/dbraw/zinc/07/85/66/491078566.db2.gz IDYRTCLMTHSFBB-GFCCVEGCSA-N 0 1 236.359 2.415 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756911 491064377 /nfs/dbraw/zinc/06/43/77/491064377.db2.gz BTZGWJGYEJEKJA-VXGBXAGGSA-N 0 1 248.326 2.329 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1cccc2c1CCC2 ZINC000651779822 491074916 /nfs/dbraw/zinc/07/49/16/491074916.db2.gz QRDUFEJRGYPJPH-KGLIPLIRSA-N 0 1 249.329 2.080 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1cccc2c1CCC2 ZINC000651779821 491074932 /nfs/dbraw/zinc/07/49/32/491074932.db2.gz QRDUFEJRGYPJPH-KBPBESRZSA-N 0 1 249.329 2.080 20 0 BEADMN c1ncc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000119918076 491093525 /nfs/dbraw/zinc/09/35/25/491093525.db2.gz ZQDUCTGEBRZUCN-OLZOCXBDSA-N 0 1 217.316 2.241 20 0 BEADMN C[C@@H](CC(=O)NCc1cnc[nH]1)CC(C)(C)C ZINC000088753604 491108307 /nfs/dbraw/zinc/10/83/07/491108307.db2.gz XIAPFAZWTGRRGE-JTQLQIEISA-N 0 1 237.347 2.488 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC1CC(O)C1 ZINC000091489707 491130890 /nfs/dbraw/zinc/13/08/90/491130890.db2.gz RSZFVHAYTZDNHH-UHFFFAOYSA-N 0 1 241.281 2.168 20 0 BEADMN CCOCCN(C)Cc1scnc1C1CC1 ZINC000426159775 491130931 /nfs/dbraw/zinc/13/09/31/491130931.db2.gz HONKXYPNUMNCMN-UHFFFAOYSA-N 0 1 240.372 2.489 20 0 BEADMN Cc1n[nH]cc1CN[C@H]1CCCc2cccnc21 ZINC000091661200 491131346 /nfs/dbraw/zinc/13/13/46/491131346.db2.gz YMUZFXDZENBELQ-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN CC(C)C(NCc1csnn1)C(C)C ZINC000308533655 491136919 /nfs/dbraw/zinc/13/69/19/491136919.db2.gz SCVVXFBNNNNVQM-UHFFFAOYSA-N 0 1 213.350 2.308 20 0 BEADMN O=C(Nc1ccccc1)c1cnc2nc[nH]c2c1 ZINC000082320628 491143739 /nfs/dbraw/zinc/14/37/39/491143739.db2.gz IVRBIAJNFJVMCH-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN CC[C@@H](NC1CSC1)c1c(C)noc1C ZINC000309229609 491146404 /nfs/dbraw/zinc/14/64/04/491146404.db2.gz WLXUAZXUKBRCQS-SNVBAGLBSA-N 0 1 226.345 2.448 20 0 BEADMN CC(C)(CO)CNCc1c(F)cccc1F ZINC000133516438 491156095 /nfs/dbraw/zinc/15/60/95/491156095.db2.gz NYHMBPZORJWTJP-UHFFFAOYSA-N 0 1 229.270 2.073 20 0 BEADMN Cc1nc([C@@H](C)NCC2(CO)CC2)c(C)s1 ZINC000133837530 491160799 /nfs/dbraw/zinc/16/07/99/491160799.db2.gz QZKFYOMKOOQOHI-MRVPVSSYSA-N 0 1 240.372 2.183 20 0 BEADMN Cc1cnc(C(C)(C)N[C@H]2CCCOC2)s1 ZINC000134277635 491162880 /nfs/dbraw/zinc/16/28/80/491162880.db2.gz AOFRKEIPTZMMAF-JTQLQIEISA-N 0 1 240.372 2.455 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000859092677 582481658 /nfs/dbraw/zinc/48/16/58/582481658.db2.gz SCNVNGSGCUMILS-RYUDHWBXSA-N 0 1 242.363 2.194 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC1(C)C(C)(C)C1(C)C ZINC000891163567 582617716 /nfs/dbraw/zinc/61/77/16/582617716.db2.gz XPRXZLLRHGIVLW-SNVBAGLBSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C)[C@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000790930841 582620339 /nfs/dbraw/zinc/62/03/39/582620339.db2.gz JIBDTNRDEIIYJJ-QWHCGFSZSA-N 0 1 239.359 2.426 20 0 BEADMN C[C@@H]1C[C@H](NCc2ncnn2C(C)(C)C)[C@H]1C ZINC000494994820 533959528 /nfs/dbraw/zinc/95/95/28/533959528.db2.gz KQFFGNVBXHOSPA-VWYCJHECSA-N 0 1 236.363 2.167 20 0 BEADMN CCC[C@H](C)CN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000342936460 535611774 /nfs/dbraw/zinc/61/17/74/535611774.db2.gz VJVPCQLQPYTKHQ-ASHKBJFXSA-N 0 1 231.405 2.264 20 0 BEADMN CCC[C@H](C)CN1CCn2ccnc2C1 ZINC000342751961 535611988 /nfs/dbraw/zinc/61/19/88/535611988.db2.gz KMUFTRCKAHEQAV-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN CCOc1ccc(CN(CC)CCOC)o1 ZINC000891584436 582699953 /nfs/dbraw/zinc/69/99/53/582699953.db2.gz QXAWXEMUYBOXEP-UHFFFAOYSA-N 0 1 227.304 2.147 20 0 BEADMN Cc1cc(F)ncc1CN(C)C[C@H]1CCCO1 ZINC000891580981 582700093 /nfs/dbraw/zinc/70/00/93/582700093.db2.gz DZPAJXNEIVACBO-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1oc(C(C)(C)C)cc1CN1CC[C@H](O)C1 ZINC000891639186 582703660 /nfs/dbraw/zinc/70/36/60/582703660.db2.gz DVLPHUXDMHTUFM-LBPRGKRZSA-N 0 1 237.343 2.452 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1CC[C@@H](C)C1 ZINC000891797465 582723300 /nfs/dbraw/zinc/72/33/00/582723300.db2.gz KGRNZVZSIDMZFU-MRVPVSSYSA-N 0 1 227.739 2.467 20 0 BEADMN C[C@@H]1CC[C@H](N(C)CN2CC(C)(C)OC2=O)C1 ZINC000496849518 534246724 /nfs/dbraw/zinc/24/67/24/534246724.db2.gz CLLOFFKRYHDQJE-MNOVXSKESA-N 0 1 240.347 2.295 20 0 BEADMN CCN(Cc1nccn1C1CC1)CC1CC1 ZINC000892036357 582769360 /nfs/dbraw/zinc/76/93/60/582769360.db2.gz UYYVCDJMDFBQCJ-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN COc1nccc(CN2C[C@H](C)[C@@H](C)C2)c1F ZINC000892069194 582784141 /nfs/dbraw/zinc/78/41/41/582784141.db2.gz ZASOBYPDXGQVKZ-UWVGGRQHSA-N 0 1 238.306 2.317 20 0 BEADMN C[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1C ZINC000892068776 582784833 /nfs/dbraw/zinc/78/48/33/582784833.db2.gz SFXSBARPQCLNOK-GHMZBOCLSA-N 0 1 219.332 2.306 20 0 BEADMN CCCCC1(NC(=O)CCc2cnc[nH]2)CC1 ZINC000889528246 582820511 /nfs/dbraw/zinc/82/05/11/582820511.db2.gz CGFNRJLROIIDTR-UHFFFAOYSA-N 0 1 235.331 2.181 20 0 BEADMN CC(C)(C)OC(=O)NCCN1CCC12CCC2 ZINC000494312670 526460713 /nfs/dbraw/zinc/46/07/13/526460713.db2.gz HKEPRIBJFJPTEX-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN CN(Cc1ccc(Cl)s1)C1CC(O)C1 ZINC000335673811 536469063 /nfs/dbraw/zinc/46/90/63/536469063.db2.gz BTYWWFBFHYQSNP-UHFFFAOYSA-N 0 1 231.748 2.357 20 0 BEADMN C/C=C/C=C/C(=O)N1CCN(CC)C[C@H]1CC ZINC000493463022 527576934 /nfs/dbraw/zinc/57/69/34/527576934.db2.gz VLODSBYYWXIMKE-JYFLETBZSA-N 0 1 236.359 2.061 20 0 BEADMN C/C=C/C=C\C(=O)N1CCN(CC)C[C@@H]1CC ZINC000493463021 527594834 /nfs/dbraw/zinc/59/48/34/527594834.db2.gz VLODSBYYWXIMKE-DMVHZZEESA-N 0 1 236.359 2.061 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1C[C@H]1C[C@@H]1C ZINC000488328908 527821892 /nfs/dbraw/zinc/82/18/92/527821892.db2.gz IHGKOUOWBSDGRL-TUAOUCFPSA-N 0 1 225.332 2.060 20 0 BEADMN CCCCCN(CCO)Cc1conc1CC ZINC000507118718 528180406 /nfs/dbraw/zinc/18/04/06/528180406.db2.gz YZTONEKIJSVLIG-UHFFFAOYSA-N 0 1 240.347 2.222 20 0 BEADMN CCN(CCC1CC1)CN1CC(C)(C)OC1=O ZINC000495313493 528425597 /nfs/dbraw/zinc/42/55/97/528425597.db2.gz WQMCYYHEPIYPBM-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CCCCOCCN1CC(C)(C)OC[C@@H]1C ZINC000488235734 528589280 /nfs/dbraw/zinc/58/92/80/528589280.db2.gz UJAFRQGGUINWBU-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CC/C=C/CCN1CCN(CC)C(=O)[C@@H]1CC ZINC000495206928 528770474 /nfs/dbraw/zinc/77/04/74/528770474.db2.gz ALOLUJUXFYMMQF-GWJCSSMESA-N 0 1 238.375 2.285 20 0 BEADMN CCC(O)(CC)CCN[C@H](C)c1nccn1C ZINC000471754877 528966182 /nfs/dbraw/zinc/96/61/82/528966182.db2.gz DVLIKZJQOKVSLP-LLVKDONJSA-N 0 1 239.363 2.012 20 0 BEADMN CCN1CCN(C(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC000492806824 529109390 /nfs/dbraw/zinc/10/93/90/529109390.db2.gz XOVUIPFLNIDOTD-ABZNLYFFSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NCc1cn[nH]c1C ZINC000308094177 529309090 /nfs/dbraw/zinc/30/90/90/529309090.db2.gz XEOKCCAOOUYNHR-LLVKDONJSA-N 0 1 237.347 2.407 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1ncnn1CC ZINC000488164749 529338004 /nfs/dbraw/zinc/33/80/04/529338004.db2.gz KQWVKTQMECJVBT-GHMZBOCLSA-N 0 1 222.336 2.061 20 0 BEADMN CCCC1CCC(CN2CCNC(=O)C2)CC1 ZINC000342634626 534917815 /nfs/dbraw/zinc/91/78/15/534917815.db2.gz LEKBMGLUWXSVJX-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)(C)n1ncnc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000334508705 534973111 /nfs/dbraw/zinc/97/31/11/534973111.db2.gz RNNWCDXUKZFDHR-RYUDHWBXSA-N 0 1 248.374 2.265 20 0 BEADMN CC1(C)CCCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000226627777 535294172 /nfs/dbraw/zinc/29/41/72/535294172.db2.gz KZESDALDBBDBCC-NSHDSACASA-N 0 1 235.331 2.242 20 0 BEADMN CCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000336044494 535335408 /nfs/dbraw/zinc/33/54/08/535335408.db2.gz QPGDOSZHVAACAB-GFCCVEGCSA-N 0 1 248.326 2.420 20 0 BEADMN CC(C)c1ncc(CN(C)[C@@H](C)CO)s1 ZINC000349294295 535383193 /nfs/dbraw/zinc/38/31/93/535383193.db2.gz HNSIVGKQIXEBFK-VIFPVBQESA-N 0 1 228.361 2.079 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1nnc(C)n1C ZINC000179521363 535411776 /nfs/dbraw/zinc/41/17/76/535411776.db2.gz CEJCKTHYQCAEMJ-GFCCVEGCSA-N 0 1 236.363 2.278 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CC(C)(C)C ZINC000077901546 535457104 /nfs/dbraw/zinc/45/71/04/535457104.db2.gz XEWNVJGMYKJMOT-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000054473269 535521764 /nfs/dbraw/zinc/52/17/64/535521764.db2.gz RRDHNHGQOUEMDK-BXUZGUMPSA-N 0 1 234.343 2.023 20 0 BEADMN CCOCCCNCc1c(F)ccc(O)c1F ZINC000352064411 535549228 /nfs/dbraw/zinc/54/92/28/535549228.db2.gz XZMGPVNAIUXJEB-UHFFFAOYSA-N 0 1 245.269 2.187 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N(C)CC1CC1 ZINC000182070624 535636958 /nfs/dbraw/zinc/63/69/58/535636958.db2.gz WZFFUESSMGIXEL-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CCc1nnc(CN2CC[C@H](C)[C@@H]2CC)o1 ZINC000185604615 535846935 /nfs/dbraw/zinc/84/69/35/535846935.db2.gz AXIOURAQQMIXHD-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nocc1CN(CC)C[C@@H]1CCCO1 ZINC000350664832 535904092 /nfs/dbraw/zinc/90/40/92/535904092.db2.gz XMMKDRZMVLYKBZ-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H](C)CSC ZINC000297581172 536117780 /nfs/dbraw/zinc/11/77/80/536117780.db2.gz HDLIMUIAYKGZOJ-NXEZZACHSA-N 0 1 227.377 2.305 20 0 BEADMN CC[C@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000334334988 536169119 /nfs/dbraw/zinc/16/91/19/536169119.db2.gz ZDWLQJNEMQPWOB-ZETCQYMHSA-N 0 1 235.262 2.230 20 0 BEADMN C[N@@H+](CCCC1CCCCC1)CC(=O)[O-] ZINC000263314205 536329411 /nfs/dbraw/zinc/32/94/11/536329411.db2.gz HFEZYHLDWRSXKU-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CN1CCC[C@H]1C(=O)N1CCC[C@H]1C(C)(C)C ZINC000335974449 536389423 /nfs/dbraw/zinc/38/94/23/536389423.db2.gz WWGCTXZOKNJROT-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CC[C@@H](C)F ZINC000351810757 536506127 /nfs/dbraw/zinc/50/61/27/536506127.db2.gz ARDSIONUAJXOHO-AXFHLTTASA-N 0 1 231.311 2.008 20 0 BEADMN COc1cc(C)nc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000342235415 536695973 /nfs/dbraw/zinc/69/59/73/536695973.db2.gz VFVRXMRSLUPAAH-MNOVXSKESA-N 0 1 242.269 2.142 20 0 BEADMN C1=CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000238862315 537825807 /nfs/dbraw/zinc/82/58/07/537825807.db2.gz KYLFVUKVBOJTMW-UHFFFAOYSA-N 0 1 231.295 2.220 20 0 BEADMN Cc1ncc(C(=O)N(C)CCc2cccs2)[nH]1 ZINC000075201315 566293006 /nfs/dbraw/zinc/29/30/06/566293006.db2.gz PPCRABTUCLFUNQ-UHFFFAOYSA-N 0 1 249.339 2.094 20 0 BEADMN CC[C@H](NC(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000353336063 566474734 /nfs/dbraw/zinc/47/47/34/566474734.db2.gz LFKWMUDKACLFLL-NSHDSACASA-N 0 1 237.347 2.283 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000221389662 583177907 /nfs/dbraw/zinc/17/79/07/583177907.db2.gz DGNODTMBFXOQOV-ATZCPNFKSA-N 0 1 223.320 2.292 20 0 BEADMN CCO[C@@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000893864231 583234635 /nfs/dbraw/zinc/23/46/35/583234635.db2.gz UTCFIANEQDRBRA-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@H]1CN(Cc2[nH]nc(C)c2C)CCS1 ZINC000894035353 583279854 /nfs/dbraw/zinc/27/98/54/583279854.db2.gz XTMHEBQLCYTHCS-NSHDSACASA-N 0 1 239.388 2.354 20 0 BEADMN FC(F)OCCSc1nc(C2CC2)n[nH]1 ZINC000853014634 588715628 /nfs/dbraw/zinc/71/56/28/588715628.db2.gz OBMNNEAPSDWBMV-UHFFFAOYSA-N 0 1 235.259 2.013 20 0 BEADMN FC(F)OCCSc1n[nH]c(C2CC2)n1 ZINC000853014634 588715629 /nfs/dbraw/zinc/71/56/29/588715629.db2.gz OBMNNEAPSDWBMV-UHFFFAOYSA-N 0 1 235.259 2.013 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1C ZINC000853213273 588725443 /nfs/dbraw/zinc/72/54/43/588725443.db2.gz IJQDJUKECOESFK-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN Cc1cccc(C(=O)O[C@H](C)c2nnc[nH]2)c1C ZINC000853215368 588725477 /nfs/dbraw/zinc/72/54/77/588725477.db2.gz RIUDYZWTMAFFKT-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN Cc1cccc(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853213167 588725595 /nfs/dbraw/zinc/72/55/95/588725595.db2.gz GFUGPQIITAPDTG-SECBINFHSA-N 0 1 231.255 2.031 20 0 BEADMN C[C@@H](OC(=O)CC1CCCCC1)c1nnc[nH]1 ZINC000853215356 588725599 /nfs/dbraw/zinc/72/55/99/588725599.db2.gz WAHLXECRBCZBIU-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN C[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1nnc[nH]1 ZINC000853219978 588726116 /nfs/dbraw/zinc/72/61/16/588726116.db2.gz WNXQTLDUGNDJKY-MRVPVSSYSA-N 0 1 247.298 2.155 20 0 BEADMN Cc1ccc([C@@H](C)C(=O)O[C@H](C)c2nnc[nH]2)o1 ZINC000853220320 588726349 /nfs/dbraw/zinc/72/63/49/588726349.db2.gz KPVGTYYDWHWLMV-RKDXNWHRSA-N 0 1 249.270 2.114 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222146 588726625 /nfs/dbraw/zinc/72/66/25/588726625.db2.gz GCSQVUKMTXGJHE-RKDXNWHRSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@@H](OC(=O)C(C)(C)C(C)(F)F)c1nnc[nH]1 ZINC000853224717 588726804 /nfs/dbraw/zinc/72/68/04/588726804.db2.gz HMWJMUOMTLQSCT-ZCFIWIBFSA-N 0 1 247.245 2.090 20 0 BEADMN CC(C)c1ccoc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224565 588726814 /nfs/dbraw/zinc/72/68/14/588726814.db2.gz WFSANNCCACQUNB-MRVPVSSYSA-N 0 1 249.270 2.439 20 0 BEADMN C[C@@H](OC(=O)CC(C)(C)C1CC1)c1nnc[nH]1 ZINC000853224705 588726927 /nfs/dbraw/zinc/72/69/27/588726927.db2.gz HKIVMJJXKIDUIL-MRVPVSSYSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1cc(C(=O)O[C@@H](C)c2nnc[nH]2)cs1 ZINC000853223348 588726934 /nfs/dbraw/zinc/72/69/34/588726934.db2.gz IOELRLFQOWNGRV-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224337 588726987 /nfs/dbraw/zinc/72/69/87/588726987.db2.gz FQZCUHXPBGGLAE-AUTRQRHGSA-N 0 1 237.303 2.091 20 0 BEADMN C[C@H](OC(=O)C1(F)CCCCC1)c1nnc[nH]1 ZINC000853224888 588727228 /nfs/dbraw/zinc/72/72/28/588727228.db2.gz ZSASDXWXVVVNNJ-QMMMGPOBSA-N 0 1 241.266 2.081 20 0 BEADMN CC[C@H](CC(C)C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225221 588727336 /nfs/dbraw/zinc/72/73/36/588727336.db2.gz MTALGJJEVVRNLN-NXEZZACHSA-N 0 1 239.319 2.481 20 0 BEADMN CC(=CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccco1 ZINC000853226882 588727518 /nfs/dbraw/zinc/72/75/18/588727518.db2.gz JDRGDYGBOJCHEZ-XZLDQRQTSA-N 0 1 247.254 2.105 20 0 BEADMN CCCC[C@@](C)(F)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227740 588727600 /nfs/dbraw/zinc/72/76/00/588727600.db2.gz SSYPRTOUIDZYGO-GZMMTYOYSA-N 0 1 243.282 2.327 20 0 BEADMN C[C@@H](NCC1(O)CCC(C)CC1)c1ncc[nH]1 ZINC000853238983 588728309 /nfs/dbraw/zinc/72/83/09/588728309.db2.gz WZQWUNLZSQNJEX-QWKFWESOSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@H](NCCOCCF)c1cccnc1Cl ZINC000853238429 588728314 /nfs/dbraw/zinc/72/83/14/588728314.db2.gz ITHOMYSRMHYZHM-VIFPVBQESA-N 0 1 246.713 2.372 20 0 BEADMN CCN(CN1CC[C@@H](C(C)C)C1=O)C1CCC1 ZINC000853497417 588746200 /nfs/dbraw/zinc/74/62/00/588746200.db2.gz YQPKFDJMCSAPLN-ZDUSSCGKSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CCN(C)CN1CC[C@H](C(C)C)C1=O ZINC000853491331 588745947 /nfs/dbraw/zinc/74/59/47/588745947.db2.gz NMHHJWMAXSHSCY-CYBMUJFWSA-N 0 1 240.391 2.426 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)C[C@H]2CC2(C)C)C1 ZINC000853628133 588750761 /nfs/dbraw/zinc/75/07/61/588750761.db2.gz NSEAKBREFUHKDK-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN CN(C[C@@H]1CC1(C)C)Cn1cc(Cl)cn1 ZINC000853626744 588750889 /nfs/dbraw/zinc/75/08/89/588750889.db2.gz FUDHAOCXPUVDGZ-VIFPVBQESA-N 0 1 227.739 2.472 20 0 BEADMN CN(C[C@H]1CC1(C)C)Cn1cc(Cl)cn1 ZINC000853626743 588750913 /nfs/dbraw/zinc/75/09/13/588750913.db2.gz FUDHAOCXPUVDGZ-SECBINFHSA-N 0 1 227.739 2.472 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1C(=O)CC12CCC2 ZINC000853628369 588751051 /nfs/dbraw/zinc/75/10/51/588751051.db2.gz TVLFBSSDKVQXIQ-LLVKDONJSA-N 0 1 236.359 2.077 20 0 BEADMN CCCc1nc(C)c(CON=C(N)CC)o1 ZINC000853656622 588752809 /nfs/dbraw/zinc/75/28/09/588752809.db2.gz VCMBMLWHYJHUBG-UHFFFAOYSA-N 0 1 225.292 2.344 20 0 BEADMN CC(C)CCO[C@@H]1CCN(CCF)C1 ZINC000854111901 588774792 /nfs/dbraw/zinc/77/47/92/588774792.db2.gz KDNUHZBNWGGTFF-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN Cc1ccncc1Cc1nc([C@H](N)C(C)C)no1 ZINC000854132910 588776160 /nfs/dbraw/zinc/77/61/60/588776160.db2.gz MSDGKMYTFSIXGP-GFCCVEGCSA-N 0 1 246.314 2.020 20 0 BEADMN CCc1ccnc(-c2noc(CNC(C)C)n2)c1 ZINC000854154657 588777096 /nfs/dbraw/zinc/77/70/96/588777096.db2.gz DMUSHIOFPWHQFZ-UHFFFAOYSA-N 0 1 246.314 2.192 20 0 BEADMN Cc1cc(-c2noc(CNC(C)C)n2)c(C)o1 ZINC000854153093 588777160 /nfs/dbraw/zinc/77/71/60/588777160.db2.gz JKBDPIRFZLEXDL-UHFFFAOYSA-N 0 1 235.287 2.444 20 0 BEADMN CC[C@H](NC)c1nc(-c2ncc(C)s2)no1 ZINC000854160057 588777308 /nfs/dbraw/zinc/77/73/08/588777308.db2.gz GMGWDSBHAFCFDV-ZETCQYMHSA-N 0 1 238.316 2.172 20 0 BEADMN CCC(F)(F)C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000854485176 588789247 /nfs/dbraw/zinc/78/92/47/588789247.db2.gz ROGLKDAPITVILA-LURJTMIESA-N 0 1 245.191 2.489 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ncc[nH]1 ZINC000854594311 588796300 /nfs/dbraw/zinc/79/63/00/588796300.db2.gz ITSWNIDPEVGZBR-AAXQSMANSA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000854754330 588805585 /nfs/dbraw/zinc/80/55/85/588805585.db2.gz NQIOGRAZPOCMOP-GFCCVEGCSA-N 0 1 237.274 2.312 20 0 BEADMN CC(C)[C@@H](F)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810353 588811980 /nfs/dbraw/zinc/81/19/80/588811980.db2.gz RQTFAJFAYSDWGU-GFCCVEGCSA-N 0 1 249.289 2.173 20 0 BEADMN CCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997642 588822261 /nfs/dbraw/zinc/82/22/61/588822261.db2.gz WYDCZMPDEOHPFD-QWRGUYRKSA-N 0 1 242.363 2.336 20 0 BEADMN C/C(=C/C(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000855135733 588823092 /nfs/dbraw/zinc/82/30/92/588823092.db2.gz VBWYUCVCUCUOQV-POHAHGRESA-N 0 1 235.331 2.361 20 0 BEADMN CC(C)N(Cc1ccccc1)CN1CCCC1=O ZINC000113237962 588827365 /nfs/dbraw/zinc/82/73/65/588827365.db2.gz SFPOERUGXDUJRU-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN CC[C@H]1c2ccccc2CN1C(=O)[C@H](C)N(C)C ZINC000890612906 582487602 /nfs/dbraw/zinc/48/76/02/582487602.db2.gz SUEVVNOVVYESKW-FZMZJTMJSA-N 0 1 246.354 2.430 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CC=CC[C@H]2C)c1C ZINC000890769320 582547996 /nfs/dbraw/zinc/54/79/96/582547996.db2.gz RHXJRRLTMDLWJM-LDYMZIIASA-N 0 1 233.315 2.111 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)[C@H](C)CO1 ZINC000844391203 582580851 /nfs/dbraw/zinc/58/08/51/582580851.db2.gz NWIKZEOZTJCVOL-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN CCC/C=C/C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000855485729 588837788 /nfs/dbraw/zinc/83/77/88/588837788.db2.gz GXTKOJJFLBOUEE-XEHSLEBBSA-N 0 1 238.375 2.285 20 0 BEADMN CCC/C=C/C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000855485727 588837794 /nfs/dbraw/zinc/83/77/94/588837794.db2.gz GXTKOJJFLBOUEE-MMQHEFTJSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C\C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000855487108 588837981 /nfs/dbraw/zinc/83/79/81/588837981.db2.gz RRYYWPXZJGQHLT-KXXVWKPMSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cc(CC(=O)NC2(C)C(C)(C)C2(C)C)[nH]n1 ZINC000891161178 582616933 /nfs/dbraw/zinc/61/69/33/582616933.db2.gz CCAFFWQMASWDHI-UHFFFAOYSA-N 0 1 249.358 2.202 20 0 BEADMN C[C@]1(CCNCc2csnn2)C[C@]1(F)Cl ZINC000846037904 582642881 /nfs/dbraw/zinc/64/28/81/582642881.db2.gz NAFPBAUDVWQYNW-DTWKUNHWSA-N 0 1 249.742 2.332 20 0 BEADMN C[C@@H](NCc1coc(C2CC2)n1)[C@H]1CCOC1 ZINC000742376958 582664616 /nfs/dbraw/zinc/66/46/16/582664616.db2.gz JGHOYGFEXXARJS-KOLCDFICSA-N 0 1 236.315 2.067 20 0 BEADMN Cc1nc2cc(N[C@@H](C)CCO)ccc2n1C ZINC000779421607 582670388 /nfs/dbraw/zinc/67/03/88/582670388.db2.gz JFRQHRGLOBRRRE-VIFPVBQESA-N 0 1 233.315 2.065 20 0 BEADMN Cn1cnc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000222748298 582687236 /nfs/dbraw/zinc/68/72/36/582687236.db2.gz ZVCMUURRHFCHMJ-JHJVBQTASA-N 0 1 248.374 2.264 20 0 BEADMN CCOc1ccc(CN2CCCOC[C@@H]2C)o1 ZINC000892074871 582786272 /nfs/dbraw/zinc/78/62/72/582786272.db2.gz BSEZFLQHXVWNKB-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN COC1CCC(CN(C)Cc2ccon2)CC1 ZINC000892084391 582787919 /nfs/dbraw/zinc/78/79/19/582787919.db2.gz XQNASOUODRYXMH-UHFFFAOYSA-N 0 1 238.331 2.312 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3nccn3C3CC3)C[C@@H]21 ZINC000892113758 582794111 /nfs/dbraw/zinc/79/41/11/582794111.db2.gz HSJTYCBEHJMBQC-TXEJJXNPSA-N 0 1 231.343 2.306 20 0 BEADMN c1cn(C2CC2)c(CN2CC[C@@H](C3CC3)C2)n1 ZINC000892146932 582801571 /nfs/dbraw/zinc/80/15/71/582801571.db2.gz ZZDAFPPTNSOBFI-GFCCVEGCSA-N 0 1 231.343 2.450 20 0 BEADMN Cc1csc([C@H](C)Nc2nc(C)cc(N)n2)n1 ZINC000892302501 582832098 /nfs/dbraw/zinc/83/20/98/582832098.db2.gz IDEKVABLNYENQT-QMMMGPOBSA-N 0 1 249.343 2.305 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000725776840 582848311 /nfs/dbraw/zinc/84/83/11/582848311.db2.gz BLCFFWWIGSTASL-TZMCWYRMSA-N 0 1 244.338 2.259 20 0 BEADMN Cc1ccc2oc(=O)n(CN3CC[C@@H](C)C3)c2c1 ZINC000725778374 582848707 /nfs/dbraw/zinc/84/87/07/582848707.db2.gz MDYFJQCFBKGLRD-LLVKDONJSA-N 0 1 246.310 2.202 20 0 BEADMN CCC(N)=NOCc1cccc(NC(C)=O)c1 ZINC000725791596 582854639 /nfs/dbraw/zinc/85/46/39/582854639.db2.gz DUFLJVAXDAGQSL-UHFFFAOYSA-N 0 1 235.287 2.053 20 0 BEADMN Cn1nc(CN[C@@H]2C=CCC2)c2ccccc21 ZINC000829347661 582856316 /nfs/dbraw/zinc/85/63/16/582856316.db2.gz MSMSPHCXJQGEHL-LLVKDONJSA-N 0 1 227.311 2.382 20 0 BEADMN CCc1cc(CNc2cccc([C@H](C)O)n2)n[nH]1 ZINC000892504746 582900818 /nfs/dbraw/zinc/90/08/18/582900818.db2.gz ALSLJMVLGQHSIV-VIFPVBQESA-N 0 1 246.314 2.033 20 0 BEADMN CCc1cc(NCc2cc(C)[nH]n2)nc(CC)n1 ZINC000892526270 582906339 /nfs/dbraw/zinc/90/63/39/582906339.db2.gz FNKPAHQHODCBCN-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN Cc1occc1CNCc1cn(C)nc1C1CC1 ZINC000892657866 582942347 /nfs/dbraw/zinc/94/23/47/582942347.db2.gz FDYIQUYEYPONIC-UHFFFAOYSA-N 0 1 245.326 2.489 20 0 BEADMN CCc1ncc(CNc2nccn2C2CC2)cn1 ZINC000840886651 582943806 /nfs/dbraw/zinc/94/38/06/582943806.db2.gz KNKLNGUDZKAPKD-UHFFFAOYSA-N 0 1 243.314 2.183 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](CC(C)C)C2)n1 ZINC000892748214 582975482 /nfs/dbraw/zinc/97/54/82/582975482.db2.gz AXADLSSBHFVVQS-NSHDSACASA-N 0 1 234.347 2.240 20 0 BEADMN Cc1cc(N)nc(N2Cc3ccccc3[C@H]2C)n1 ZINC000892769568 582978666 /nfs/dbraw/zinc/97/86/66/582978666.db2.gz BJIRIIJWYKYWHL-SNVBAGLBSA-N 0 1 240.310 2.448 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225224 583031575 /nfs/dbraw/zinc/03/15/75/583031575.db2.gz MTALGJJEVVRNLN-ZJUUUORDSA-N 0 1 239.319 2.481 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000840583352 583037631 /nfs/dbraw/zinc/03/76/31/583037631.db2.gz XYZHDPNQEHFNRM-IUCAKERBSA-N 0 1 249.314 2.464 20 0 BEADMN CCOc1ccc(CNCc2ccn(C)c2)o1 ZINC000893100506 583049294 /nfs/dbraw/zinc/04/92/94/583049294.db2.gz LZPNABHSUPFLKP-UHFFFAOYSA-N 0 1 234.299 2.307 20 0 BEADMN Cc1cc(N)nc(N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000893134021 583055032 /nfs/dbraw/zinc/05/50/32/583055032.db2.gz FHBDYGCICJKGIB-VIFPVBQESA-N 0 1 234.347 2.240 20 0 BEADMN CCn1cc(CNCc2cncc(C)c2)c(C)n1 ZINC000893248904 583078223 /nfs/dbraw/zinc/07/82/23/583078223.db2.gz MJKCBDNUVWDNQD-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CCn1cc(CNc2cc(OC)ccn2)c(C)n1 ZINC000893254978 583079332 /nfs/dbraw/zinc/07/93/32/583079332.db2.gz HYRVLRGDOZOYGR-UHFFFAOYSA-N 0 1 246.314 2.227 20 0 BEADMN Cn1cc(CNCC2=CCCC2)c(Cl)n1 ZINC000856795147 588878069 /nfs/dbraw/zinc/87/80/69/588878069.db2.gz AYPNXLBBDSHUEL-UHFFFAOYSA-N 0 1 225.723 2.273 20 0 BEADMN Cn1cc(CN[C@]2(C)CC2(C)C)c(Cl)n1 ZINC000856796368 588878119 /nfs/dbraw/zinc/87/81/19/588878119.db2.gz SNMZBDNGHCQPRH-LLVKDONJSA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1CC12CCC2)N(C)C ZINC000893468985 583149202 /nfs/dbraw/zinc/14/92/02/583149202.db2.gz MNFQCTZIKSUJRE-NWDGAFQWSA-N 0 1 239.359 2.306 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000893551017 583163083 /nfs/dbraw/zinc/16/30/83/583163083.db2.gz QORMBRUSFXBRLW-ZMONIFLSSA-N 0 1 249.705 2.217 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857011994 588881817 /nfs/dbraw/zinc/88/18/17/588881817.db2.gz RWHCDALSBWKLSR-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN CC[C@H]1CCCN1Cc1cn(C)nc1Cl ZINC000857013062 588882340 /nfs/dbraw/zinc/88/23/40/588882340.db2.gz DKPCGBURZZGLFM-JTQLQIEISA-N 0 1 227.739 2.448 20 0 BEADMN C1=CCC(CN2Cc3ccncc3C2)C1 ZINC000857882090 583203364 /nfs/dbraw/zinc/20/33/64/583203364.db2.gz MUIQFNSGVHUBGJ-UHFFFAOYSA-N 0 1 200.285 2.363 20 0 BEADMN Cc1coc(COC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000893744238 583217481 /nfs/dbraw/zinc/21/74/81/583217481.db2.gz CCLDQIPSNWLCBU-GFCCVEGCSA-N 0 1 239.315 2.217 20 0 BEADMN CC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C/C(C)(C)C ZINC000893873897 583239137 /nfs/dbraw/zinc/23/91/37/583239137.db2.gz SBNHDKIOSBRXPS-LMMOQWNQSA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)/C(C)=C/C(C)(C)C ZINC000893873897 583239138 /nfs/dbraw/zinc/23/91/38/583239138.db2.gz SBNHDKIOSBRXPS-LMMOQWNQSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1[nH]nc(CN2CCOC(C)(C)[C@H]2C)c1C ZINC000894035116 583279725 /nfs/dbraw/zinc/27/97/25/583279725.db2.gz DPEHDUKRHGOFES-LLVKDONJSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1[nH]nc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C ZINC000894088128 583298160 /nfs/dbraw/zinc/29/81/60/583298160.db2.gz ICWNJGDAXZZPSO-OCCSQVGLSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1[nH]nc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1C ZINC000894088128 583298163 /nfs/dbraw/zinc/29/81/63/583298163.db2.gz ICWNJGDAXZZPSO-OCCSQVGLSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@@H]3COCC[C@@H]32)c1C ZINC000894088128 583298164 /nfs/dbraw/zinc/29/81/64/583298164.db2.gz ICWNJGDAXZZPSO-OCCSQVGLSA-N 0 1 249.358 2.027 20 0 BEADMN COC1CCC(CN(C)Cc2ncc[nH]2)CC1 ZINC000894088817 583298450 /nfs/dbraw/zinc/29/84/50/583298450.db2.gz AWOWCGKFOQBHCK-UHFFFAOYSA-N 0 1 237.347 2.047 20 0 BEADMN COc1ccc(CN2CC(C(C)C)C2)nc1 ZINC000894135327 583314394 /nfs/dbraw/zinc/31/43/94/583314394.db2.gz TZGSHMWXHBXEKH-UHFFFAOYSA-N 0 1 220.316 2.178 20 0 BEADMN COc1c(C)cc(CNC2(C)COC2)cc1C ZINC000877691297 583342387 /nfs/dbraw/zinc/34/23/87/583342387.db2.gz MAKKOCWYZUOOLY-UHFFFAOYSA-N 0 1 235.327 2.191 20 0 BEADMN Cc1ncoc1CNC[C@@H](O)C1CCCCC1 ZINC000894221736 583382844 /nfs/dbraw/zinc/38/28/44/583382844.db2.gz QDQDVESKDVPTMG-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1ncsc1CNCc1c(C)ccnc1N ZINC000894239682 583387089 /nfs/dbraw/zinc/38/70/89/583387089.db2.gz MQNMUACTLHEKHW-UHFFFAOYSA-N 0 1 248.355 2.027 20 0 BEADMN C[C@]1(F)CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC000878657329 583389498 /nfs/dbraw/zinc/38/94/98/583389498.db2.gz DFECWVIDDYNIIZ-LBPRGKRZSA-N 0 1 224.279 2.111 20 0 BEADMN CCCC[C@@H](COC)NCc1ocnc1C ZINC000894285434 583410755 /nfs/dbraw/zinc/41/07/55/583410755.db2.gz VWZJUVVZLXNCBH-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN CCCC[C@H](COC)NCc1ocnc1C ZINC000894285432 583410767 /nfs/dbraw/zinc/41/07/67/583410767.db2.gz VWZJUVVZLXNCBH-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN CN(CCC1CCCCC1)CN1CCC1=O ZINC000857231892 588897166 /nfs/dbraw/zinc/89/71/66/588897166.db2.gz HPRCLABMNVCXOG-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN Cc1ccccc1[C@@H]1CCCN1CN1CCC1=O ZINC000857231961 588897700 /nfs/dbraw/zinc/89/77/00/588897700.db2.gz WAEGAMIDQAJDHQ-AWEZNQCLSA-N 0 1 244.338 2.322 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)CN1CN1CCC1=O ZINC000857232573 588897931 /nfs/dbraw/zinc/89/79/31/588897931.db2.gz FUKAFUSSZXBEKV-TZMCWYRMSA-N 0 1 244.338 2.054 20 0 BEADMN Clc1ccc2c(c1)[C@@H](NCc1cnc[nH]1)CO2 ZINC000894333600 583425837 /nfs/dbraw/zinc/42/58/37/583425837.db2.gz OYWBPLFYDNXJRB-NSHDSACASA-N 0 1 249.701 2.286 20 0 BEADMN c1n[nH]nc1SCCOCC1CCCC1 ZINC000516913557 583426836 /nfs/dbraw/zinc/42/68/36/583426836.db2.gz FTFJECHXBFDRFY-UHFFFAOYSA-N 0 1 227.333 2.104 20 0 BEADMN Cc1coc(CN(C)CCc2cnccn2)c1 ZINC000894424462 583455981 /nfs/dbraw/zinc/45/59/81/583455981.db2.gz GTASQLITMDOEON-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CCOCCN(C)Cc1ccc(SC)o1 ZINC000894424758 583456068 /nfs/dbraw/zinc/45/60/68/583456068.db2.gz MHCDYGMIZCIAAH-UHFFFAOYSA-N 0 1 229.345 2.470 20 0 BEADMN Cc1[nH]nc(CN2CCC=C(F)C2)c1C ZINC000894426557 583456920 /nfs/dbraw/zinc/45/69/20/583456920.db2.gz CFYJEGKXXXSPBN-UHFFFAOYSA-N 0 1 209.268 2.086 20 0 BEADMN Cc1n[nH]c(CN(C)CCc2ccccn2)c1C ZINC000894450041 583460589 /nfs/dbraw/zinc/46/05/89/583460589.db2.gz XJYACPFOKNBHNB-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN Cc1ncoc1CN(C)CCc1ccncc1 ZINC000894450137 583462103 /nfs/dbraw/zinc/46/21/03/583462103.db2.gz FYTOUFXAYVWMEK-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Cc1cc(N)nc(N2CCC(C3CCC3)CC2)n1 ZINC000894523386 583477960 /nfs/dbraw/zinc/47/79/60/583477960.db2.gz XHOUORNLRXFERH-UHFFFAOYSA-N 0 1 246.358 2.384 20 0 BEADMN O=C(Nc1cc(F)ccn1)c1c[nH]nc1C1CC1 ZINC000857313297 588905397 /nfs/dbraw/zinc/90/53/97/588905397.db2.gz UZLVHERTZGMOJK-UHFFFAOYSA-N 0 1 246.245 2.074 20 0 BEADMN COc1ccc(CN2CC(C3CC3)C2)o1 ZINC000894567258 583484863 /nfs/dbraw/zinc/48/48/63/583484863.db2.gz VSFMQRVUJFRVEB-UHFFFAOYSA-N 0 1 207.273 2.130 20 0 BEADMN COc1cc(C)cc(CN2CC(C)C2)c1OC ZINC000894608767 583492067 /nfs/dbraw/zinc/49/20/67/583492067.db2.gz LWGHCZKLQYLSSQ-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2cnccc2C)c1C ZINC000894622869 583496182 /nfs/dbraw/zinc/49/61/82/583496182.db2.gz PYKFCMIOUVMKKC-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@H]1C ZINC000894628522 583497604 /nfs/dbraw/zinc/49/76/04/583497604.db2.gz OSRDBOUTCKPJCK-BDAKNGLRSA-N 0 1 232.283 2.374 20 0 BEADMN CCCSC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000894668609 583503209 /nfs/dbraw/zinc/50/32/09/583503209.db2.gz OHGYCOCFSMJKBS-GHMZBOCLSA-N 0 1 239.388 2.449 20 0 BEADMN C[C@]1(Br)C[C@H]1CN1CC[C@H](F)C1 ZINC000894669916 583503249 /nfs/dbraw/zinc/50/32/49/583503249.db2.gz ALOBUJNSEKEGHQ-CIUDSAMLSA-N 0 1 236.128 2.204 20 0 BEADMN COc1ccc(CN2CC[C@H]2C2CC2)nc1 ZINC000894691425 583507996 /nfs/dbraw/zinc/50/79/96/583507996.db2.gz ZDTOVSRJYZSAIY-ZDUSSCGKSA-N 0 1 218.300 2.075 20 0 BEADMN CS[C@@H]1CCN(Cc2cnc(F)c(C)c2)C1 ZINC000894692687 583508167 /nfs/dbraw/zinc/50/81/67/583508167.db2.gz YWCYIHWDOGTKJF-LLVKDONJSA-N 0 1 240.347 2.466 20 0 BEADMN COc1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000894691001 583508872 /nfs/dbraw/zinc/50/88/72/583508872.db2.gz XEFOEXYZBHDSRU-NSHDSACASA-N 0 1 207.273 2.273 20 0 BEADMN C[C@@]1(Br)C[C@@H]1CN1CC[C@H](F)C1 ZINC000894705227 583512220 /nfs/dbraw/zinc/51/22/20/583512220.db2.gz ALOBUJNSEKEGHQ-HRDYMLBCSA-N 0 1 236.128 2.204 20 0 BEADMN FC1CCN(Cc2cncs2)CC1 ZINC000880238960 583512881 /nfs/dbraw/zinc/51/28/81/583512881.db2.gz OZHRENANIOMHSV-UHFFFAOYSA-N 0 1 200.282 2.077 20 0 BEADMN CCC1CN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000894812442 583523697 /nfs/dbraw/zinc/52/36/97/583523697.db2.gz BJKXLWTVBYSQIZ-UHFFFAOYSA-N 0 1 246.354 2.230 20 0 BEADMN Cc1coc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000894816856 583525530 /nfs/dbraw/zinc/52/55/30/583525530.db2.gz WYZNWLDCFTUFEY-GFCCVEGCSA-N 0 1 231.299 2.232 20 0 BEADMN CCCn1nccc1CN1C[C@H](C)[C@H]1C ZINC000894861728 583534993 /nfs/dbraw/zinc/53/49/93/583534993.db2.gz NTRVXUMRINJXEJ-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN CCCn1nccc1CN1C[C@H](C)[C@@H]1C ZINC000894861727 583535166 /nfs/dbraw/zinc/53/51/66/583535166.db2.gz NTRVXUMRINJXEJ-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1c(CN2C[C@H](C)[C@H]2C)ccnc1F ZINC000894862216 583535653 /nfs/dbraw/zinc/53/56/53/583535653.db2.gz UJAANQFLNJDYIA-WCBMZHEXSA-N 0 1 208.280 2.369 20 0 BEADMN COC(=O)/C=C/c1ccc(CN2C[C@H](C)[C@H]2C)o1 ZINC000894862233 583536360 /nfs/dbraw/zinc/53/63/60/583536360.db2.gz VEWGTEQCYGWXOB-FQLSZKSXSA-N 0 1 249.310 2.306 20 0 BEADMN COc1cncc(CN2C[C@@H](C)[C@H]2C)c1C ZINC000894862408 583537093 /nfs/dbraw/zinc/53/70/93/583537093.db2.gz XSLMCPLAONGREX-MWLCHTKSSA-N 0 1 220.316 2.239 20 0 BEADMN Cc1noc2ncc(CN3C[C@H](C)[C@H]3C)cc12 ZINC000894862416 583537368 /nfs/dbraw/zinc/53/73/68/583537368.db2.gz XUSLZUHUSACUQA-WCBMZHEXSA-N 0 1 231.299 2.371 20 0 BEADMN Cc1n[nH]c(CN2CC[C@@H]2C2CC2)c1C ZINC000894880024 583543862 /nfs/dbraw/zinc/54/38/62/583543862.db2.gz ASSQIYZHGQKFAJ-GFCCVEGCSA-N 0 1 205.305 2.011 20 0 BEADMN COC[C@H]1CCC[N@@H+](Cc2ocnc2C)CC1 ZINC000894953658 583559641 /nfs/dbraw/zinc/55/96/41/583559641.db2.gz PYRLBZZZSVGJPD-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN c1ncc(CN2CC3(C2)CCCCC3)[nH]1 ZINC000894970587 583560339 /nfs/dbraw/zinc/56/03/39/583560339.db2.gz IBCYOYUAVNGICX-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN c1[nH]nc2c1CCC[C@H]2NCCOC1CCCC1 ZINC000857848955 588912793 /nfs/dbraw/zinc/91/27/93/588912793.db2.gz DOFJPGTZAFHHFX-CYBMUJFWSA-N 0 1 249.358 2.336 20 0 BEADMN CN1CCN(c2nccs2)C[C@@H]1C(C)(C)C ZINC000895101335 583588791 /nfs/dbraw/zinc/58/87/91/583588791.db2.gz JBRUMJHLHGVOIA-SNVBAGLBSA-N 0 1 239.388 2.310 20 0 BEADMN CCC=CCN[C@H]1CCCc2c[nH]nc21 ZINC000857868515 588916745 /nfs/dbraw/zinc/91/67/45/588916745.db2.gz XLFZBSNUVCPQLY-BYCRGOAPSA-N 0 1 205.305 2.343 20 0 BEADMN Cc1ncoc1CN[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000895189847 583619691 /nfs/dbraw/zinc/61/96/91/583619691.db2.gz XISPTHHRPWHCQN-XYPYZODXSA-N 0 1 238.331 2.419 20 0 BEADMN COc1ncccc1CN1[C@H](C)C[C@@H]1C ZINC000335756881 583631109 /nfs/dbraw/zinc/63/11/09/583631109.db2.gz QWJWPFMNLZRVRA-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN CCOc1ccc(CN[C@H]2COC(C)(C)C2)o1 ZINC000895306872 583644902 /nfs/dbraw/zinc/64/49/02/583644902.db2.gz QSUCNMIFFUGBNT-SNVBAGLBSA-N 0 1 239.315 2.335 20 0 BEADMN CC1=NO[C@@H](CNCc2cc(F)ccc2C)C1 ZINC000895306977 583645551 /nfs/dbraw/zinc/64/55/51/583645551.db2.gz LYCWHEDAMQUQEH-CYBMUJFWSA-N 0 1 236.290 2.389 20 0 BEADMN COCC1(NCc2nccn2C2CC2)CCCC1 ZINC000895309380 583646708 /nfs/dbraw/zinc/64/67/08/583646708.db2.gz HSWYRACWZJHRFH-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1ncoc1CN1CC(CC2CC2)C1 ZINC000895377237 583661862 /nfs/dbraw/zinc/66/18/62/583661862.db2.gz LNVUBVDGEGFAKH-UHFFFAOYSA-N 0 1 206.289 2.215 20 0 BEADMN c1cn(C2CC2)c(CN2CC[C@@H]3C[C@@H]3C2)n1 ZINC000895435508 583669286 /nfs/dbraw/zinc/66/92/86/583669286.db2.gz ZRYATVWCBAEERQ-GHMZBOCLSA-N 0 1 217.316 2.060 20 0 BEADMN Oc1cc(Cl)cc(CNC2CSC2)c1 ZINC000895432969 583671405 /nfs/dbraw/zinc/67/14/05/583671405.db2.gz HIFPVVUOQBKKHR-UHFFFAOYSA-N 0 1 229.732 2.251 20 0 BEADMN C[C@@H]1C[C@@H](CN2Cc3ccncc3C2)CCO1 ZINC000857879973 588920344 /nfs/dbraw/zinc/92/03/44/588920344.db2.gz YBPFVCPOBIEJJT-NEPJUHHUSA-N 0 1 232.327 2.212 20 0 BEADMN CO[C@](C)(CN(C)Cc1ccns1)C1CC1 ZINC000895452520 583676623 /nfs/dbraw/zinc/67/66/23/583676623.db2.gz NTLNHYPZUIRQSI-GFCCVEGCSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000895450989 583676679 /nfs/dbraw/zinc/67/66/79/583676679.db2.gz DPZFVPZYASHDQS-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCC(CC)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000895479483 583680098 /nfs/dbraw/zinc/68/00/98/583680098.db2.gz USZFHYCXRUWCBR-LLVKDONJSA-N 0 1 226.364 2.164 20 0 BEADMN FC[C@H]1CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000895574228 583693276 /nfs/dbraw/zinc/69/32/76/583693276.db2.gz VHLMDHVJGWEYFY-LLVKDONJSA-N 0 1 233.290 2.126 20 0 BEADMN FC1(CN2CC(CC3CCOCC3)C2)CC1 ZINC000895614902 583695827 /nfs/dbraw/zinc/69/58/27/583695827.db2.gz CMUVADRSDNSUDG-UHFFFAOYSA-N 0 1 227.323 2.237 20 0 BEADMN Cc1c(Cl)cccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895647001 583698738 /nfs/dbraw/zinc/69/87/38/583698738.db2.gz ZVBMIUNKJHBIID-DGCLKSJQSA-N 0 1 237.730 2.215 20 0 BEADMN CC(C)(NCc1cc[nH]n1)[C@H](O)c1ccccc1 ZINC000895659327 583701585 /nfs/dbraw/zinc/70/15/85/583701585.db2.gz VKMNAFNJTCGIMR-CYBMUJFWSA-N 0 1 245.326 2.012 20 0 BEADMN CSc1ccc(CN2C[C@@H]3C[C@]3(O)C2)s1 ZINC000895651782 583703442 /nfs/dbraw/zinc/70/34/42/583703442.db2.gz CBXRXNLWTNLMOG-KWQFWETISA-N 0 1 241.381 2.037 20 0 BEADMN Cn1cc(CNCC(C)(C)F)c(C2CC2)n1 ZINC000895691436 583707518 /nfs/dbraw/zinc/70/75/18/583707518.db2.gz OXVPMIBQZVASSU-UHFFFAOYSA-N 0 1 225.311 2.135 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895702981 583709916 /nfs/dbraw/zinc/70/99/16/583709916.db2.gz WUVGJLGCJNURBD-SECBINFHSA-N 0 1 246.314 2.074 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1cccc(F)c1F ZINC000895705176 583710530 /nfs/dbraw/zinc/71/05/30/583710530.db2.gz WYTFQMKHDVOTBA-MRVPVSSYSA-N 0 1 243.253 2.006 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000895708173 583711912 /nfs/dbraw/zinc/71/19/12/583711912.db2.gz ZRASOMMDHGMBJI-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CC[C@H](NCc2nc(C(F)F)no2)C1 ZINC000895727116 583713658 /nfs/dbraw/zinc/71/36/58/583713658.db2.gz NTBGGOBENWWHGR-RQJHMYQMSA-N 0 1 231.246 2.285 20 0 BEADMN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)nc1 ZINC000895745631 583715914 /nfs/dbraw/zinc/71/59/14/583715914.db2.gz FSCIQVCPDYZFEC-QWHCGFSZSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@H]1[C@H](Nc2nc3c(cccc3F)o2)CC[N@H+]1C ZINC000895737117 583717980 /nfs/dbraw/zinc/71/79/80/583717980.db2.gz RDLIPJXVWZUWFB-WCBMZHEXSA-N 0 1 249.289 2.471 20 0 BEADMN C[C@H](N[C@@H]1CCS[C@@H]1C)c1ncco1 ZINC000895766305 583718884 /nfs/dbraw/zinc/71/88/84/583718884.db2.gz RKXYVBOASWQCHN-DJLDLDEBSA-N 0 1 212.318 2.219 20 0 BEADMN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ncco1 ZINC000895766758 583719538 /nfs/dbraw/zinc/71/95/38/583719538.db2.gz UVDSVXVJGBNYIE-IRCOFANPSA-N 0 1 248.326 2.283 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCOCC1)c1ncco1 ZINC000895767118 583723414 /nfs/dbraw/zinc/72/34/14/583723414.db2.gz VUWRFCANXVDLSX-VHSXEESVSA-N 0 1 224.304 2.140 20 0 BEADMN C[N@H+]1CC[C@@H]1CNc1nc2c(cccc2F)o1 ZINC000895771450 583724894 /nfs/dbraw/zinc/72/48/94/583724894.db2.gz ZGABHMLLZSXOPV-MRVPVSSYSA-N 0 1 235.262 2.083 20 0 BEADMN CN1CC[C@@H]1CNc1nc2c(cccc2F)o1 ZINC000895771450 583724896 /nfs/dbraw/zinc/72/48/96/583724896.db2.gz ZGABHMLLZSXOPV-MRVPVSSYSA-N 0 1 235.262 2.083 20 0 BEADMN CC(C)c1cnc(NC[C@@H]2CCN2C)s1 ZINC000895770340 583725435 /nfs/dbraw/zinc/72/54/35/583725435.db2.gz MWVRWGHUELXXGE-VIFPVBQESA-N 0 1 225.361 2.383 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2COC(C)(C)C2)n1 ZINC000883164854 583730580 /nfs/dbraw/zinc/73/05/80/583730580.db2.gz PNAKSMILZNPTEU-SNVBAGLBSA-N 0 1 237.347 2.190 20 0 BEADMN CCn1cc(CN2CC(C)(C)C2)c(C)n1 ZINC000895825554 583734861 /nfs/dbraw/zinc/73/48/61/583734861.db2.gz LJGVQCDAUUTMEX-UHFFFAOYSA-N 0 1 207.321 2.053 20 0 BEADMN Cc1cccn2c(CN(C)CCCF)cnc12 ZINC000895898077 583740985 /nfs/dbraw/zinc/74/09/85/583740985.db2.gz KBGJEHLQBGEKDY-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN CN(CCCF)Cc1ccnn1CC1CCC1 ZINC000895896217 583743801 /nfs/dbraw/zinc/74/38/01/583743801.db2.gz RDTNOXKUDOGGIB-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2[nH]nc(C)c2C)C1 ZINC000895927650 583748722 /nfs/dbraw/zinc/74/87/22/583748722.db2.gz OJCVYCJGTHCDLX-CABZTGNLSA-N 0 1 237.347 2.026 20 0 BEADMN CC[C@H](C)[C@@H](CN1CC(OC(C)C)C1)OC ZINC000895954836 583751994 /nfs/dbraw/zinc/75/19/94/583751994.db2.gz IVDAYVULTUKDDA-WCQYABFASA-N 0 1 229.364 2.157 20 0 BEADMN CCC[C@H](CC)NC(=O)c1cncc2nc[nH]c21 ZINC000895958996 583753049 /nfs/dbraw/zinc/75/30/49/583753049.db2.gz UVMLBNGPJKLCLV-VIFPVBQESA-N 0 1 246.314 2.266 20 0 BEADMN CC[C@@H](CN1CCO[C@@H](OC)C1)c1ccccc1 ZINC000895968090 583754630 /nfs/dbraw/zinc/75/46/30/583754630.db2.gz HBBOJXCAXFMCQB-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN CCOc1ccccc1CN1CC(COC)C1 ZINC000895971638 583756278 /nfs/dbraw/zinc/75/62/78/583756278.db2.gz MWYMAGOQQZVMTR-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1cscc1Cl ZINC000896039400 583766232 /nfs/dbraw/zinc/76/62/32/583766232.db2.gz HRBRHBUXQNRSHV-SSDOTTSWSA-N 0 1 247.747 2.443 20 0 BEADMN CC[C@@H]1CCCN1Cn1cccnc1=S ZINC000727822654 583779019 /nfs/dbraw/zinc/77/90/19/583779019.db2.gz APEZZMCROVHWPJ-SNVBAGLBSA-N 0 1 223.345 2.444 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000896187681 583781349 /nfs/dbraw/zinc/78/13/49/583781349.db2.gz RVZLNKFFDFPNKC-GRYCIOLGSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1coc(CN2CC[C@H](c3noc(C)n3)C2)c1 ZINC000896230888 583784318 /nfs/dbraw/zinc/78/43/18/583784318.db2.gz NELKDSFTUVEFRA-NSHDSACASA-N 0 1 247.298 2.269 20 0 BEADMN Cc1ccc(CN2CC[C@@H](c3noc(C)n3)C2)o1 ZINC000896235943 583785264 /nfs/dbraw/zinc/78/52/64/583785264.db2.gz APWUQUHRHZOHGK-LLVKDONJSA-N 0 1 247.298 2.269 20 0 BEADMN c1ccc2c(CN[C@H]3CCOC3)nsc2c1 ZINC000883402243 583797949 /nfs/dbraw/zinc/79/79/49/583797949.db2.gz LVDZXBLEASZGNW-VIFPVBQESA-N 0 1 234.324 2.175 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000896456777 583803032 /nfs/dbraw/zinc/80/30/32/583803032.db2.gz ACLZHGBHHZWFFZ-VXGBXAGGSA-N 0 1 236.359 2.084 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000896523088 583808936 /nfs/dbraw/zinc/80/89/36/583808936.db2.gz XFTQZWCCHUCZIX-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)n1cncc1CN1CCO[C@H](C)CC1 ZINC000896576945 583813823 /nfs/dbraw/zinc/81/38/23/583813823.db2.gz GOXOCVULIOROCU-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H]1CCN(Cc2cc3cccnc3o2)CCO1 ZINC000896578762 583814443 /nfs/dbraw/zinc/81/44/43/583814443.db2.gz VXIUZRNGAUGQHV-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1CCN(Cc2ccc3c(n2)CCC3)CCO1 ZINC000896577733 583814763 /nfs/dbraw/zinc/81/47/63/583814763.db2.gz NRKKEZMBBRYBOP-LBPRGKRZSA-N 0 1 246.354 2.181 20 0 BEADMN CCC[C@@H](CN[C@@H](c1ncccn1)C1CC1)OC ZINC000896598265 583816799 /nfs/dbraw/zinc/81/67/99/583816799.db2.gz GNQVXHFUBVSGIV-QWHCGFSZSA-N 0 1 249.358 2.332 20 0 BEADMN c1cnc([C@H](NC[C@H]2CCC=CO2)C2CC2)nc1 ZINC000896599380 583816820 /nfs/dbraw/zinc/81/68/20/583816820.db2.gz QWTBQFFHXCRPNE-CHWSQXEVSA-N 0 1 245.326 2.210 20 0 BEADMN Cc1ncsc1CNCc1ccnc(F)c1 ZINC000858130026 588934383 /nfs/dbraw/zinc/93/43/83/588934383.db2.gz VJWMJYAAACYXFK-UHFFFAOYSA-N 0 1 237.303 2.275 20 0 BEADMN [O-]c1cccc2c(N[C@H]3C[C@H](CO)C3)cc[nH+]c12 ZINC000896691020 583822387 /nfs/dbraw/zinc/82/23/87/583822387.db2.gz KODPFUOUSQAUEW-MGCOHNPYSA-N 0 1 244.294 2.123 20 0 BEADMN CC[C@@](C)(CN1CCn2cccc2C1)OC ZINC000896761177 583831292 /nfs/dbraw/zinc/83/12/92/583831292.db2.gz KVSYKAUGMWOYBV-ZDUSSCGKSA-N 0 1 222.332 2.119 20 0 BEADMN CC[C@H](C)[C@H](CN1CCn2cccc2C1)OC ZINC000896761060 583831751 /nfs/dbraw/zinc/83/17/51/583831751.db2.gz JIBHWLCSJWPPKC-JSGCOSHPSA-N 0 1 236.359 2.365 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NC(=O)[C@H]1CCCN1C ZINC000896826746 583837175 /nfs/dbraw/zinc/83/71/75/583837175.db2.gz CEFLAVBVFFYYNO-SDDRHHMPSA-N 0 1 238.375 2.022 20 0 BEADMN C/C(=C\C(=O)NCCCc1cn[nH]c1C)C1CC1 ZINC000728070250 583847147 /nfs/dbraw/zinc/84/71/47/583847147.db2.gz IZPVNSVJJJWIDQ-CSKARUKUSA-N 0 1 247.342 2.123 20 0 BEADMN Cc1nnc(CN[C@H]2CCS[C@H](C)C2)s1 ZINC000896951755 583864109 /nfs/dbraw/zinc/86/41/09/583864109.db2.gz LOQMTIBAYXXGQV-APPZFPTMSA-N 0 1 243.401 2.220 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1(C2CC2)CC1 ZINC000897031351 583870759 /nfs/dbraw/zinc/87/07/59/583870759.db2.gz WGJGGPOKQZNKER-NSHDSACASA-N 0 1 245.326 2.094 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897165177 583886850 /nfs/dbraw/zinc/88/68/50/583886850.db2.gz NSAXNBSOCWGQGD-NWDGAFQWSA-N 0 1 240.391 2.410 20 0 BEADMN Oc1cncc(CNC[C@@H]2CC2(Cl)Cl)c1 ZINC000897315739 583918976 /nfs/dbraw/zinc/91/89/76/583918976.db2.gz QGSHRDKSWNPCAQ-QMMMGPOBSA-N 0 1 247.125 2.071 20 0 BEADMN C/C=C/CNCc1c(Cl)nc(Cl)n1C ZINC000858290744 588942288 /nfs/dbraw/zinc/94/22/88/588942288.db2.gz HAQCMZMGFNCCCV-ONEGZZNKSA-N 0 1 234.130 2.393 20 0 BEADMN C(N[C@H]1CC[C@H]1C1CC1)c1noc2c1COCC2 ZINC000897365233 583942710 /nfs/dbraw/zinc/94/27/10/583942710.db2.gz CHLDPMQKDRAKMV-JQWIXIFHSA-N 0 1 248.326 2.026 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cccc(O)c1F ZINC000872082674 583945593 /nfs/dbraw/zinc/94/55/93/583945593.db2.gz ZLYIZBQBHWQAKV-OPRDCNLKSA-N 0 1 239.290 2.359 20 0 BEADMN O=C(CN1CCCC1)Nc1c[nH]c2ccccc12 ZINC000888113938 583966190 /nfs/dbraw/zinc/96/61/90/583966190.db2.gz TUGJFAXTMHGWRI-UHFFFAOYSA-N 0 1 243.310 2.202 20 0 BEADMN Cc1csc(CN[C@]23C[C@H]2COC3(C)C)n1 ZINC000858229785 588939794 /nfs/dbraw/zinc/93/97/94/588939794.db2.gz GMYCDPQQDXAUAW-JOYOIKCWSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1nnc(CNCC(C)(C)C2CC2)s1 ZINC000897437596 583983635 /nfs/dbraw/zinc/98/36/35/583983635.db2.gz MSTISVLYZSYHKB-UHFFFAOYSA-N 0 1 225.361 2.372 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCCC[C@@H]2O)o1 ZINC000897535952 584009790 /nfs/dbraw/zinc/00/97/90/584009790.db2.gz BBJTZLVPTXRTFG-RYUDHWBXSA-N 0 1 238.331 2.014 20 0 BEADMN COc1ccccc1C[C@H](C)NCc1ccon1 ZINC000148651850 584023766 /nfs/dbraw/zinc/02/37/66/584023766.db2.gz ZAPFXPVBJFXNGE-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN CCCC(C)(C)NC(=O)c1cncc2nc[nH]c21 ZINC000897675156 584035466 /nfs/dbraw/zinc/03/54/66/584035466.db2.gz SGIDUPUTIXUXNO-UHFFFAOYSA-N 0 1 246.314 2.266 20 0 BEADMN C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@H]1O ZINC000897678971 584036954 /nfs/dbraw/zinc/03/69/54/584036954.db2.gz GJMPBRMAEPOPKF-GMSGAONNSA-N 0 1 231.748 2.214 20 0 BEADMN CC(C)c1ncc(CN2C[C@@H](C)[C@@H](O)C2)s1 ZINC000897681128 584038985 /nfs/dbraw/zinc/03/89/85/584038985.db2.gz PJGOOLCNYMJKID-KOLCDFICSA-N 0 1 240.372 2.079 20 0 BEADMN C[C@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1O ZINC000897683216 584040014 /nfs/dbraw/zinc/04/00/14/584040014.db2.gz AXSJMQMNAGQOBY-XHDPSFHLSA-N 0 1 242.322 2.047 20 0 BEADMN CCc1nc(OC)ccc1NCc1[nH]ncc1C ZINC000897711212 584042023 /nfs/dbraw/zinc/04/20/23/584042023.db2.gz INVWRGLVCGSONK-UHFFFAOYSA-N 0 1 246.314 2.296 20 0 BEADMN CC(C)CCCCN1CC(N2CCCC2=O)C1 ZINC000897785236 584048389 /nfs/dbraw/zinc/04/83/89/584048389.db2.gz ZFPNMAWKXYPMLD-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)C[C@H](NCc2csnn2)CCS1 ZINC000897798328 584049228 /nfs/dbraw/zinc/04/92/28/584049228.db2.gz QSJWJZDXXWNNGJ-MRVPVSSYSA-N 0 1 243.401 2.302 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897961623 584068764 /nfs/dbraw/zinc/06/87/64/584068764.db2.gz SOMYWNREOPVAIY-QJPTWQEYSA-N 0 1 238.375 2.020 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCN1C)[C@@H]1CC1(C)C ZINC000897988432 584072032 /nfs/dbraw/zinc/07/20/32/584072032.db2.gz QFCBGSAKOFCHHR-QJPTWQEYSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1cnccn1 ZINC000898047052 584073505 /nfs/dbraw/zinc/07/35/05/584073505.db2.gz QDOJKOQCKRKJMS-VXGBXAGGSA-N 0 1 249.358 2.475 20 0 BEADMN CCON(C(=O)[C@H]1CCN1C(C)(C)C)C(C)C ZINC000898090676 584082098 /nfs/dbraw/zinc/08/20/98/584082098.db2.gz REAVTVSNXMRBEW-LLVKDONJSA-N 0 1 242.363 2.048 20 0 BEADMN c1cc(CC2CN(Cc3ccncc3)C2)co1 ZINC000898161871 584088414 /nfs/dbraw/zinc/08/84/14/584088414.db2.gz JWLIGNJSSPSTST-UHFFFAOYSA-N 0 1 228.295 2.349 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1ncc[nH]1)OCC ZINC000858451046 588956074 /nfs/dbraw/zinc/95/60/74/588956074.db2.gz MTLNGOMGPBLPRJ-QWRGUYRKSA-N 0 1 225.336 2.266 20 0 BEADMN CC(C)CCCCN1CC[C@@H](O)[C@@H](F)C1 ZINC000898189246 584094927 /nfs/dbraw/zinc/09/49/27/584094927.db2.gz RRTORARZQUMUPQ-NWDGAFQWSA-N 0 1 217.328 2.217 20 0 BEADMN O[C@@H](CCNCc1nc2ccccc2o1)C1CC1 ZINC000898198103 584097769 /nfs/dbraw/zinc/09/77/69/584097769.db2.gz NGJWDJBDKAWNOY-LBPRGKRZSA-N 0 1 246.310 2.078 20 0 BEADMN CS[C@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000866487639 584119698 /nfs/dbraw/zinc/11/96/98/584119698.db2.gz DEJYNNVNWPHGPC-GWOFURMSSA-N 0 1 237.372 2.373 20 0 BEADMN CS[C@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000866487641 584119898 /nfs/dbraw/zinc/11/98/98/584119898.db2.gz DEJYNNVNWPHGPC-XWLWVQCSSA-N 0 1 237.372 2.373 20 0 BEADMN COCCc1ncc(CNC/C=C\Cl)s1 ZINC000898428733 584132680 /nfs/dbraw/zinc/13/26/80/584132680.db2.gz OWSZVQUIUGPTMM-RQOWECAXSA-N 0 1 246.763 2.174 20 0 BEADMN COC(=O)c1cc(CNC/C=C/Cl)cs1 ZINC000898427676 584132888 /nfs/dbraw/zinc/13/28/88/584132888.db2.gz KSBCCIBEHYTUTJ-NSCUHMNNSA-N 0 1 245.731 2.377 20 0 BEADMN Cn1nc2c(c1CNC/C=C\Cl)CCCC2 ZINC000898427758 584133059 /nfs/dbraw/zinc/13/30/59/584133059.db2.gz FLYKMNWYRHNTMF-DAXSKMNVSA-N 0 1 239.750 2.141 20 0 BEADMN CCn1cc(CNC/C=C/Cl)c(C)n1 ZINC000898428368 584133213 /nfs/dbraw/zinc/13/32/13/584133213.db2.gz OAKWZNANSMUEMN-SNAWJCMRSA-N 0 1 213.712 2.054 20 0 BEADMN Cc1noc2ncc(CNC/C=C\Cl)cc12 ZINC000898429404 584133694 /nfs/dbraw/zinc/13/36/94/584133694.db2.gz SIEJTYQOHPVASU-IHWYPQMZSA-N 0 1 237.690 2.373 20 0 BEADMN CCCn1nccc1CNC/C=C\Cl ZINC000898430188 584134011 /nfs/dbraw/zinc/13/40/11/584134011.db2.gz WJSCYCPQPICIIY-HYXAFXHYSA-N 0 1 213.712 2.135 20 0 BEADMN C[C@@H](O)c1ncc(CNC/C=C\Cl)s1 ZINC000898434068 584135339 /nfs/dbraw/zinc/13/53/39/584135339.db2.gz SJFXNTIPUJTPNM-SKRYNEFJSA-N 0 1 232.736 2.039 20 0 BEADMN CCn1nc(C)c(CNC/C=C/Cl)c1C ZINC000898436580 584136258 /nfs/dbraw/zinc/13/62/58/584136258.db2.gz UENHHISMPKRZRM-AATRIKPKSA-N 0 1 227.739 2.362 20 0 BEADMN O=C(CC1=CCCCC1)N1CC(N2CCCC2)C1 ZINC000898611554 584146233 /nfs/dbraw/zinc/14/62/33/584146233.db2.gz WMPJCATXSJPUNF-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN Cc1cc([C@H](C)NCc2cccnc2C)n(C)n1 ZINC000858519011 588962093 /nfs/dbraw/zinc/96/20/93/588962093.db2.gz PDJATSUSHDQKKU-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)[C@@H]1CCN1C1CCCC1 ZINC000899198972 584180189 /nfs/dbraw/zinc/18/01/89/584180189.db2.gz CREUPCAXKOPIGO-OCCSQVGLSA-N 0 1 248.370 2.086 20 0 BEADMN CCC[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899203773 584180946 /nfs/dbraw/zinc/18/09/46/584180946.db2.gz SYTPAVTXMZDNNG-IJLUTSLNSA-N 0 1 249.358 2.456 20 0 BEADMN C=C/C=C/CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000899203757 584180953 /nfs/dbraw/zinc/18/09/53/584180953.db2.gz SSGKRRAAXZSURL-SYTKJHMZSA-N 0 1 236.359 2.108 20 0 BEADMN CC[C@@H]1CN(C)CCN1c1nc(Cl)cs1 ZINC000858555773 588964962 /nfs/dbraw/zinc/96/49/62/588964962.db2.gz QRCKFHVSQOLOTI-MRVPVSSYSA-N 0 1 245.779 2.327 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CCC(C)(C)C2)nn1 ZINC000899467461 584217126 /nfs/dbraw/zinc/21/71/26/584217126.db2.gz XBWKIQJFGBYGPF-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)(C)Cn1cc([C@@H]2CCCCN2)nn1 ZINC000899710567 584227461 /nfs/dbraw/zinc/22/74/61/584227461.db2.gz DFHXHWGDZLBPCD-JTQLQIEISA-N 0 1 222.336 2.139 20 0 BEADMN CCCC[C@H](C)N(C)Cc1cn(CC)nn1 ZINC000899871445 584244887 /nfs/dbraw/zinc/24/48/87/584244887.db2.gz LZQKLCNRHDBABZ-NSHDSACASA-N 0 1 224.352 2.309 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC000899964851 584261244 /nfs/dbraw/zinc/26/12/44/584261244.db2.gz ODGGWXMLVKHUOJ-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN NC1(c2noc([C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)CCC1 ZINC000900008332 584264575 /nfs/dbraw/zinc/26/45/75/584264575.db2.gz FCDZTPCEOICTOR-REGJCICNSA-N 0 1 245.326 2.167 20 0 BEADMN C[C@]1(c2nc([C@H]3CCCN3)no2)C=CCC1 ZINC000900010859 584265560 /nfs/dbraw/zinc/26/55/60/584265560.db2.gz XWRFWVBGOIWELC-SKDRFNHKSA-N 0 1 219.288 2.102 20 0 BEADMN Cc1cnc(-c2nc([C@@H]3CCCN3)no2)cc1C ZINC000900010900 584266027 /nfs/dbraw/zinc/26/60/27/584266027.db2.gz YUCNGYSNCXEBLQ-JTQLQIEISA-N 0 1 244.298 2.173 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900096526 584273753 /nfs/dbraw/zinc/27/37/53/584273753.db2.gz GUGXNOLKICSODJ-LLVKDONJSA-N 0 1 237.347 2.283 20 0 BEADMN CCCCCN(C(=O)Cc1c[nH]cn1)C(C)C ZINC000900301437 584292587 /nfs/dbraw/zinc/29/25/87/584292587.db2.gz QXSKIUKIJPJBAV-UHFFFAOYSA-N 0 1 237.347 2.379 20 0 BEADMN C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000900718085 584344631 /nfs/dbraw/zinc/34/46/31/584344631.db2.gz JSPLGRJNYUDVJZ-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC2(C)C)C1 ZINC000900786216 584351531 /nfs/dbraw/zinc/35/15/31/584351531.db2.gz BUTAGSOUCBMPER-KOLCDFICSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC2(C)C)C1 ZINC000900786218 584351556 /nfs/dbraw/zinc/35/15/56/584351556.db2.gz BUTAGSOUCBMPER-ONGXEEELSA-N 0 1 247.342 2.087 20 0 BEADMN CC(C)(C)CCCNC(=O)c1[nH]ncc1F ZINC000900791894 584351871 /nfs/dbraw/zinc/35/18/71/584351871.db2.gz JQFRYDGQRRQWSQ-UHFFFAOYSA-N 0 1 227.283 2.105 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCC2(C1)CCCCC2 ZINC000900845604 584356640 /nfs/dbraw/zinc/35/66/40/584356640.db2.gz UNVZTUFGACZXHX-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000900851144 584357284 /nfs/dbraw/zinc/35/72/84/584357284.db2.gz AGLSPGWPQQUHEP-IJLUTSLNSA-N 0 1 247.342 2.037 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900897095 584362472 /nfs/dbraw/zinc/36/24/72/584362472.db2.gz KHHXOLWUSQRBHR-CQSZACIVSA-N 0 1 249.358 2.381 20 0 BEADMN O=C([O-])CN(CC1CC1)c1cc[nH+]cc1Cl ZINC000900971280 584368843 /nfs/dbraw/zinc/36/88/43/584368843.db2.gz VJUCYXIMSYVGGC-UHFFFAOYSA-N 0 1 240.690 2.036 20 0 BEADMN CCC(CC)(CC)CNC(=O)Cc1cnc[nH]1 ZINC000901041357 584376879 /nfs/dbraw/zinc/37/68/79/584376879.db2.gz PHOULJZCIGPXLC-UHFFFAOYSA-N 0 1 237.347 2.285 20 0 BEADMN CCN1C[C@H](C)N(C(=O)/C=C(\C)Cl)C[C@@H]1C ZINC000901267858 584418474 /nfs/dbraw/zinc/41/84/74/584418474.db2.gz BRCWSBUFWSFFKE-PRZVWEGYSA-N 0 1 244.766 2.070 20 0 BEADMN CC(C)[C@H](N)c1cc(-c2cnc(N)s2)no1 ZINC000901390798 584437348 /nfs/dbraw/zinc/43/73/48/584437348.db2.gz YKDAXKMUOSSDPW-VIFPVBQESA-N 0 1 238.316 2.036 20 0 BEADMN CC(C)N(C)Cc1cc([C@@H]2CCCO2)no1 ZINC000901395909 584438524 /nfs/dbraw/zinc/43/85/24/584438524.db2.gz ZWQJYDLOBCIWLQ-LBPRGKRZSA-N 0 1 224.304 2.366 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000901426234 584442372 /nfs/dbraw/zinc/44/23/72/584442372.db2.gz FCNRLKXYAPXLMI-PWSUYJOCSA-N 0 1 225.332 2.385 20 0 BEADMN CCN1C(=O)N=NC1SCC1CC(C)C1 ZINC000901402565 584443176 /nfs/dbraw/zinc/44/31/76/584443176.db2.gz MVIFTXWDZYEBEC-UHFFFAOYSA-N 0 1 227.333 2.142 20 0 BEADMN C[C@@H]1C[C@H](CSc2cn[nH]n2)C[C@H](C)O1 ZINC000901509818 584456706 /nfs/dbraw/zinc/45/67/06/584456706.db2.gz XVUSUYOJUKVDAK-BRPSZJMVSA-N 0 1 227.333 2.100 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCSC1 ZINC000901593553 584465845 /nfs/dbraw/zinc/46/58/45/584465845.db2.gz QWSVWJRLMYKEJP-NSHDSACASA-N 0 1 245.388 2.172 20 0 BEADMN CCC[C@H](C[N@@H+](CCC(=O)[O-])CC(C)C)OC ZINC000901592143 584465933 /nfs/dbraw/zinc/46/59/33/584465933.db2.gz ODNHIYFNXLRVBJ-GFCCVEGCSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1cc(CS[C@H](C)c2n[nH]c(C)n2)no1 ZINC000901712310 584487269 /nfs/dbraw/zinc/48/72/69/584487269.db2.gz QBSTXBMBTNVGJY-SSDOTTSWSA-N 0 1 238.316 2.404 20 0 BEADMN CC(C)(C)CC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901892322 584501932 /nfs/dbraw/zinc/50/19/32/584501932.db2.gz SGWXGSPRLFLPFI-JTQLQIEISA-N 0 1 245.388 2.172 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC000901968337 584508996 /nfs/dbraw/zinc/50/89/96/584508996.db2.gz OVUQFPJWDNSGMW-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901974246 584509701 /nfs/dbraw/zinc/50/97/01/584509701.db2.gz AXQJCBKCYBKKLK-LBPRGKRZSA-N 0 1 247.338 2.414 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc2occc2c1)C1CC1 ZINC000901974532 584509758 /nfs/dbraw/zinc/50/97/58/584509758.db2.gz HGYCPZAGDKUWMC-UHFFFAOYSA-N 0 1 245.278 2.482 20 0 BEADMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)[O-])[C@@H](C)CC)OC ZINC000901986269 584510346 /nfs/dbraw/zinc/51/03/46/584510346.db2.gz VJFKVWGHWFZVDG-SDDRHHMPSA-N 0 1 245.363 2.233 20 0 BEADMN CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])s1 ZINC000901979472 584511346 /nfs/dbraw/zinc/51/13/46/584511346.db2.gz ITORUJUTMYZGET-ZETCQYMHSA-N 0 1 245.369 2.375 20 0 BEADMN C/C(=C/c1ccccc1)C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901980710 584511643 /nfs/dbraw/zinc/51/16/43/584511643.db2.gz XAYGLVLJYQIBJE-UCQJPZFISA-N 0 1 233.311 2.495 20 0 BEADMN Cc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000901981103 584511717 /nfs/dbraw/zinc/51/17/17/584511717.db2.gz XGXVXZZREKHIJZ-SNVBAGLBSA-N 0 1 246.310 2.381 20 0 BEADMN CC[C@@H](C)[C@@H](C[N@@H+](CCC(=O)[O-])C(C)C)OC ZINC000901979917 584512088 /nfs/dbraw/zinc/51/20/88/584512088.db2.gz FKDRXWJLUCNOFA-VXGBXAGGSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000902021571 584514226 /nfs/dbraw/zinc/51/42/26/584514226.db2.gz DIOSKTOIUXLJKV-DCAQKATOSA-N 0 1 213.321 2.074 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC=CO1 ZINC000902021853 584514527 /nfs/dbraw/zinc/51/45/27/584514527.db2.gz JLYFICNLKKOHRW-NEPJUHHUSA-N 0 1 241.331 2.110 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCC=CO1)C1CCCC1 ZINC000902040093 584515841 /nfs/dbraw/zinc/51/58/41/584515841.db2.gz YAUYSMIQKVPDFN-GFCCVEGCSA-N 0 1 239.315 2.008 20 0 BEADMN CC(C)CN(C)CN1Cc2ccccc2C1=O ZINC000902076641 584519980 /nfs/dbraw/zinc/51/99/80/584519980.db2.gz ORQGNNSVEVYTDO-UHFFFAOYSA-N 0 1 232.327 2.188 20 0 BEADMN CCn1cnc(CNCCc2ccc(C)o2)c1 ZINC000902066920 584523300 /nfs/dbraw/zinc/52/33/00/584523300.db2.gz VJCVRGCYMYQKJP-UHFFFAOYSA-N 0 1 233.315 2.137 20 0 BEADMN CCn1ccnc1NCc1ccc(OC)o1 ZINC000902114139 584527252 /nfs/dbraw/zinc/52/72/52/584527252.db2.gz LROYXQNMJDLQBL-UHFFFAOYSA-N 0 1 221.260 2.117 20 0 BEADMN O=C1OCCN1CN1CCC2(CCCC2)CC1 ZINC000902148353 584530512 /nfs/dbraw/zinc/53/05/12/584530512.db2.gz DDJBVNHCGBAZEF-UHFFFAOYSA-N 0 1 238.331 2.052 20 0 BEADMN C[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)CC1CC1 ZINC000902149271 584530532 /nfs/dbraw/zinc/53/05/32/584530532.db2.gz KQJZZXBKRSCPCK-VOTSOKGWSA-N 0 1 235.283 2.219 20 0 BEADMN CCC[C@]1(C)CCCN(CN2CCOC2=O)C1 ZINC000902165763 584533444 /nfs/dbraw/zinc/53/34/44/584533444.db2.gz FFKZMKRUOGOVOD-CYBMUJFWSA-N 0 1 240.347 2.298 20 0 BEADMN Cc1[nH]ncc1CNc1cnc(C(C)(C)C)nc1 ZINC000902190081 584536106 /nfs/dbraw/zinc/53/61/06/584536106.db2.gz YTTLPISHQULDTQ-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902195509 584536430 /nfs/dbraw/zinc/53/64/30/584536430.db2.gz HUTBZFLZBHRKTH-SREVYHEPSA-N 0 1 237.299 2.465 20 0 BEADMN Cc1occc1C[NH2+]Cc1cc(C(=O)[O-])c(C)o1 ZINC000902195978 584536575 /nfs/dbraw/zinc/53/65/75/584536575.db2.gz KRDNUSQXSFFAFT-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C[C@H]1C ZINC000902282318 584547316 /nfs/dbraw/zinc/54/73/16/584547316.db2.gz PEQCXWOTRIRICA-UORZZXJBSA-N 0 1 249.310 2.465 20 0 BEADMN CCn1cnc(CNC[C@H](OC)C(C)(C)C)c1 ZINC000902288119 584548315 /nfs/dbraw/zinc/54/83/15/584548315.db2.gz FUKDPEFLRXWMES-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN CCc1oc(C[NH2+]CC(C)(C)F)cc1C(=O)[O-] ZINC000902273808 584549922 /nfs/dbraw/zinc/54/99/22/584549922.db2.gz MFYRYUZXECFWDK-UHFFFAOYSA-N 0 1 243.278 2.378 20 0 BEADMN Cc1cn[nH]c1CSC[C@H]1CCCOC1 ZINC000902346542 584558452 /nfs/dbraw/zinc/55/84/52/584558452.db2.gz WIAIRIIYICNFBU-JTQLQIEISA-N 0 1 226.345 2.378 20 0 BEADMN CC(C)C(N)=NOC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902328698 584561602 /nfs/dbraw/zinc/56/16/02/584561602.db2.gz UCMXGPDIENPLHD-AYMMMOKOSA-N 0 1 232.274 2.432 20 0 BEADMN CC(C)c1nc([C@H](C)NCCCON)cs1 ZINC000902424778 584593777 /nfs/dbraw/zinc/59/37/77/584593777.db2.gz KWYKGHZKZZECSR-VIFPVBQESA-N 0 1 243.376 2.198 20 0 BEADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000902434497 584595938 /nfs/dbraw/zinc/59/59/38/584595938.db2.gz YMJUFZMFINFSPL-ANDSXOESSA-N 0 1 247.294 2.219 20 0 BEADMN CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000902512822 584623477 /nfs/dbraw/zinc/62/34/77/584623477.db2.gz NWJVJUQSAVUWPR-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)CCOC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000859091827 589000462 /nfs/dbraw/zinc/00/04/62/589000462.db2.gz ZWVGMTPRUJUNKV-NWDGAFQWSA-N 0 1 242.363 2.194 20 0 BEADMN CC(C)[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CC1 ZINC000902517780 584630912 /nfs/dbraw/zinc/63/09/12/584630912.db2.gz BKXUWKHCEOGKKQ-UHFFFAOYSA-N 0 1 234.299 2.153 20 0 BEADMN CCOC[C@H](NCc1cn(CC)cn1)C(C)C ZINC000902522358 584632176 /nfs/dbraw/zinc/63/21/76/584632176.db2.gz BTQCRKSNNYGAAZ-ZDUSSCGKSA-N 0 1 239.363 2.054 20 0 BEADMN Cc1cn[nH]c1CSCc1nncs1 ZINC000902554318 584633910 /nfs/dbraw/zinc/63/39/10/584633910.db2.gz MMIPCVAKEMTFTR-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN CCn1cnc(CNCC2(C(F)(F)F)CC2)c1 ZINC000902558102 584634576 /nfs/dbraw/zinc/63/45/76/584634576.db2.gz JLVWQJQEOAZDFB-UHFFFAOYSA-N 0 1 247.264 2.335 20 0 BEADMN CNc1ccc(C)cc1CNCc1cncn1C ZINC000902569050 584636350 /nfs/dbraw/zinc/63/63/50/584636350.db2.gz HCGQQTWAXYIUBN-UHFFFAOYSA-N 0 1 244.342 2.060 20 0 BEADMN CCn1cnc(CNc2cc3c(cn2)CCC3)c1 ZINC000902574509 584637480 /nfs/dbraw/zinc/63/74/80/584637480.db2.gz IOYXPFHUHLOEAK-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN COCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721361 584659994 /nfs/dbraw/zinc/65/99/94/584659994.db2.gz YWECNDKSLQNWAD-QMMMGPOBSA-N 0 1 248.248 2.397 20 0 BEADMN CC(C)C(N)=NOCCOC1CCSCC1 ZINC000902727122 584661509 /nfs/dbraw/zinc/66/15/09/584661509.db2.gz ULNHZOUWWQKSMP-UHFFFAOYSA-N 0 1 246.376 2.053 20 0 BEADMN COC(C)(C)CC[N@H+]1CCC[C@@H](F)C1 ZINC000902995087 584708394 /nfs/dbraw/zinc/70/83/94/584708394.db2.gz KUGDFTLSHXZDIZ-SNVBAGLBSA-N 0 1 203.301 2.235 20 0 BEADMN Cc1ncsc1CCN1CCC[C@H](F)C1 ZINC000902992033 584710443 /nfs/dbraw/zinc/71/04/43/584710443.db2.gz FTDBREXAFAQRHZ-JTQLQIEISA-N 0 1 228.336 2.428 20 0 BEADMN CC(C)OC1CC(N2CCC[C@H](F)C2)C1 ZINC000902993051 584710623 /nfs/dbraw/zinc/71/06/23/584710623.db2.gz PYVMRPNTSRJPKV-UNXYVOJBSA-N 0 1 215.312 2.376 20 0 BEADMN CC(C)OC1CC(N2CCC[C@@H](F)C2)C1 ZINC000902993053 584710633 /nfs/dbraw/zinc/71/06/33/584710633.db2.gz PYVMRPNTSRJPKV-VOMCLLRMSA-N 0 1 215.312 2.376 20 0 BEADMN CC1(C)CC[C@@H](CN2CCC[C@H](F)C2)O1 ZINC000902994734 584712338 /nfs/dbraw/zinc/71/23/38/584712338.db2.gz HXWWFZZDEZVYMG-QWRGUYRKSA-N 0 1 215.312 2.378 20 0 BEADMN CC1(C)CC[C@H](CN2CCC[C@@H](F)C2)O1 ZINC000902994732 584712546 /nfs/dbraw/zinc/71/25/46/584712546.db2.gz HXWWFZZDEZVYMG-GHMZBOCLSA-N 0 1 215.312 2.378 20 0 BEADMN C[C@@H](N[C@H]1CCCc2cn[nH]c21)C(F)F ZINC000903094971 584728964 /nfs/dbraw/zinc/72/89/64/584728964.db2.gz QVVFQZZKQDAPIH-SVRRBLITSA-N 0 1 215.247 2.030 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)C(F)F ZINC000903094969 584729087 /nfs/dbraw/zinc/72/90/87/584729087.db2.gz QVVFQZZKQDAPIH-HTRCEHHLSA-N 0 1 215.247 2.030 20 0 BEADMN CC(=O)OCc1cccc([C@@H](C)NCCF)c1 ZINC000903166288 584732326 /nfs/dbraw/zinc/73/23/26/584732326.db2.gz BBACMOZFRFDOMC-SNVBAGLBSA-N 0 1 239.290 2.370 20 0 BEADMN Cc1nonc1[C@@H](C)NCC(C)(C)C1CC1 ZINC000903240642 584738135 /nfs/dbraw/zinc/73/81/35/584738135.db2.gz WBLSWDOAENGOHY-MRVPVSSYSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nonc1[C@H](C)NCC(C)(C)C1CC1 ZINC000903240643 584738299 /nfs/dbraw/zinc/73/82/99/584738299.db2.gz WBLSWDOAENGOHY-QMMMGPOBSA-N 0 1 223.320 2.465 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1ncc[nH]1 ZINC000903254160 584739358 /nfs/dbraw/zinc/73/93/58/584739358.db2.gz TVWHVMAEPPBTQN-DLOVCJGASA-N 0 1 235.331 2.018 20 0 BEADMN C[C@H]1C[C@@H](N[C@@H]2CCO[C@H]2C2CC2)c2nccn21 ZINC000903259978 584740376 /nfs/dbraw/zinc/74/03/76/584740376.db2.gz JNSNVKNAUVUZOW-SQNXGDPESA-N 0 1 247.342 2.046 20 0 BEADMN CCCCC1(N[C@@H](C)c2cn(C)nn2)CC1 ZINC000903313204 584748595 /nfs/dbraw/zinc/74/85/95/584748595.db2.gz KTERQFYXMXMDJU-JTQLQIEISA-N 0 1 222.336 2.189 20 0 BEADMN c1cnc([C@@H](N[C@H]2CCSC2)C2CC2)nc1 ZINC000903333865 584750818 /nfs/dbraw/zinc/75/08/18/584750818.db2.gz ULSNUGQJVBRQBH-QWRGUYRKSA-N 0 1 235.356 2.023 20 0 BEADMN c1cnc([C@@H](N[C@@H]2CCSC2)C2CC2)nc1 ZINC000903333864 584750906 /nfs/dbraw/zinc/75/09/06/584750906.db2.gz ULSNUGQJVBRQBH-MNOVXSKESA-N 0 1 235.356 2.023 20 0 BEADMN COC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000903331426 584754326 /nfs/dbraw/zinc/75/43/26/584754326.db2.gz NIDHDXLGGSCPNV-VHSXEESVSA-N 0 1 226.320 2.447 20 0 BEADMN COC(C)(C)[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000903332790 584755043 /nfs/dbraw/zinc/75/50/43/584755043.db2.gz UUSYRKYTVSULHR-MNOVXSKESA-N 0 1 239.363 2.193 20 0 BEADMN COC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000903332792 584755065 /nfs/dbraw/zinc/75/50/65/584755065.db2.gz UUSYRKYTVSULHR-WDEREUQCSA-N 0 1 239.363 2.193 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C)c1cccnc1Cl ZINC000903395614 584756949 /nfs/dbraw/zinc/75/69/49/584756949.db2.gz MUDXBLSSVDCJMG-YWVKMMECSA-N 0 1 240.734 2.421 20 0 BEADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1ncc[nH]1 ZINC000903390319 584758002 /nfs/dbraw/zinc/75/80/02/584758002.db2.gz UQHONIAMFQMWRR-WDEREUQCSA-N 0 1 235.331 2.162 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903402795 584761192 /nfs/dbraw/zinc/76/11/92/584761192.db2.gz XVSVFHFZSSTANT-ILWJIGKKSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H](NC1(C)C(C)(C)C1(C)C)c1cn(C)nn1 ZINC000903441682 584761359 /nfs/dbraw/zinc/76/13/59/584761359.db2.gz CNXAITHLMQZSFM-SECBINFHSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000903421209 584763805 /nfs/dbraw/zinc/76/38/05/584763805.db2.gz UIOZYKSEZWSTHG-AAEUAGOBSA-N 0 1 233.311 2.339 20 0 BEADMN C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000903421211 584764004 /nfs/dbraw/zinc/76/40/04/584764004.db2.gz UIOZYKSEZWSTHG-WCQYABFASA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@@H](NC/C=C\Cl)c1cnn(C)c1 ZINC000903444744 584769710 /nfs/dbraw/zinc/76/97/10/584769710.db2.gz QPDKJWLONAHDST-UMCURTJPSA-N 0 1 213.712 2.213 20 0 BEADMN Cc1cc([C@H](C)NC/C=C\Cl)n(C)n1 ZINC000903444639 584769776 /nfs/dbraw/zinc/76/97/76/584769776.db2.gz QACGGYALMMUHEN-WBSSQXGSSA-N 0 1 213.712 2.132 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000903591680 584785135 /nfs/dbraw/zinc/78/51/35/584785135.db2.gz RDBPTELHWIVQGL-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000903590861 584785244 /nfs/dbraw/zinc/78/52/44/584785244.db2.gz BCJQZRKIQWMPCU-WHOHXGKFSA-N 0 1 227.348 2.464 20 0 BEADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903595024 584785411 /nfs/dbraw/zinc/78/54/11/584785411.db2.gz IOKWPXTUIIIMSO-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000903594334 584785735 /nfs/dbraw/zinc/78/57/35/584785735.db2.gz FPEBSKKFGZYAHF-GXSJLCMTSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000903596089 584785898 /nfs/dbraw/zinc/78/58/98/584785898.db2.gz RBXZHSCDPPTWIQ-MMWGEVLESA-N 0 1 245.388 2.312 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000903597526 584786053 /nfs/dbraw/zinc/78/60/53/584786053.db2.gz NUKSKAAMBJHSBT-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@@H+]1CCCC1CCCC1 ZINC000903616474 584786885 /nfs/dbraw/zinc/78/68/85/584786885.db2.gz FBYPAAICELKJJR-RYUDHWBXSA-N 0 1 243.322 2.454 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCCC1CCCC1 ZINC000903616474 584786886 /nfs/dbraw/zinc/78/68/86/584786886.db2.gz FBYPAAICELKJJR-RYUDHWBXSA-N 0 1 243.322 2.454 20 0 BEADMN CO[C@@H](C)C[N@@H+](Cc1ccnc(F)c1)C(C)C ZINC000859148432 589009498 /nfs/dbraw/zinc/00/94/98/589009498.db2.gz QSMVCLPVHWUYMO-NSHDSACASA-N 0 1 240.322 2.466 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903693915 584789803 /nfs/dbraw/zinc/78/98/03/584789803.db2.gz QKTUKAWLCUHULF-GFCCVEGCSA-N 0 1 237.274 2.063 20 0 BEADMN C[C@@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695879 584790119 /nfs/dbraw/zinc/79/01/19/584790119.db2.gz LNKCTVBKVOIDHB-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000903703161 584790502 /nfs/dbraw/zinc/79/05/02/584790502.db2.gz TZNMFPINRFHATQ-RUJICJSRSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])C1 ZINC000903702872 584790535 /nfs/dbraw/zinc/79/05/35/584790535.db2.gz KOAJFYUEDPJVTB-RUJICJSRSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000903707557 584791308 /nfs/dbraw/zinc/79/13/08/584791308.db2.gz ZFLGZMGKYLLLPP-RUJICJSRSA-N 0 1 225.332 2.075 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000903887566 584813451 /nfs/dbraw/zinc/81/34/51/584813451.db2.gz VZKQDJCIENXMOF-HZSPNIEDSA-N 0 1 245.322 2.197 20 0 BEADMN CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903892142 584813578 /nfs/dbraw/zinc/81/35/78/584813578.db2.gz VVXJBVGPKINVKF-SDDRHHMPSA-N 0 1 225.332 2.075 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903888310 584813822 /nfs/dbraw/zinc/81/38/22/584813822.db2.gz YJYRBILFCPKXPE-AWEZNQCLSA-N 0 1 247.338 2.414 20 0 BEADMN CCC[N@@H+](C)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903886918 584818678 /nfs/dbraw/zinc/81/86/78/584818678.db2.gz KDDHGCPMJYVHKV-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN C[N@@H+](CCCc1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903886594 584818956 /nfs/dbraw/zinc/81/89/56/584818956.db2.gz HSDCWYUJFYQOJK-UONOGXRCSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903914333 584818969 /nfs/dbraw/zinc/81/89/69/584818969.db2.gz XTOUNBGIYOWKMR-GARJFASQSA-N 0 1 227.348 2.321 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000903886767 584819161 /nfs/dbraw/zinc/81/91/61/584819161.db2.gz IHBSDINKSWPOTL-GXTWGEPZSA-N 0 1 245.322 2.372 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CC(C)C1)C1CCC1 ZINC000903907278 584821220 /nfs/dbraw/zinc/82/12/20/584821220.db2.gz KIJALCHNIPCZPD-HSOILSAZSA-N 0 1 225.332 2.360 20 0 BEADMN CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903909366 584821501 /nfs/dbraw/zinc/82/15/01/584821501.db2.gz HDRYWPOWZHFRFP-NNYUYHANSA-N 0 1 225.332 2.360 20 0 BEADMN CCC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903927565 584824584 /nfs/dbraw/zinc/82/45/84/584824584.db2.gz LXXBGMFKCUNAIZ-MRVPVSSYSA-N 0 1 240.328 2.041 20 0 BEADMN CCCC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957245 584827514 /nfs/dbraw/zinc/82/75/14/584827514.db2.gz PKRYXPDVNAODRJ-UHFFFAOYSA-N 0 1 249.310 2.379 20 0 BEADMN C/C(=C/C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000903944633 584829774 /nfs/dbraw/zinc/82/97/74/584829774.db2.gz NOABCRBBTUMYDY-METCWNFDSA-N 0 1 249.354 2.385 20 0 BEADMN CSCC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903950899 584830629 /nfs/dbraw/zinc/83/06/29/584830629.db2.gz RTCFAPJYWZIQCY-ZRUFSTJUSA-N 0 1 245.388 2.169 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903956555 584832404 /nfs/dbraw/zinc/83/24/04/584832404.db2.gz ADVXTODGRQZJOF-NNYUYHANSA-N 0 1 225.332 2.218 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(-c2ccccn2)no1 ZINC000904078258 584839567 /nfs/dbraw/zinc/83/95/67/584839567.db2.gz WTLPKXCSCNVLQR-NSHDSACASA-N 0 1 246.314 2.438 20 0 BEADMN Cc1cnc(F)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000904074824 584839770 /nfs/dbraw/zinc/83/97/70/584839770.db2.gz ARGCKGIDWFEPIH-VIFPVBQESA-N 0 1 248.261 2.004 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@H]2C[C@@H]2C)no1 ZINC000904096506 584842317 /nfs/dbraw/zinc/84/23/17/584842317.db2.gz JHLSPZYCZKQFBE-GUBZILKMSA-N 0 1 223.320 2.500 20 0 BEADMN C/C(=C/C[N@@H+](C)CCOc1ccccc1)C(=O)[O-] ZINC000825730463 584891696 /nfs/dbraw/zinc/89/16/96/584891696.db2.gz WVHJVLBVEZLJQX-WQLSENKSSA-N 0 1 249.310 2.028 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000763554240 584922632 /nfs/dbraw/zinc/92/26/32/584922632.db2.gz RTVZKYUGEWABIF-ZJUUUORDSA-N 0 1 236.315 2.417 20 0 BEADMN CCCCCC[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000737816169 584927631 /nfs/dbraw/zinc/92/76/31/584927631.db2.gz IRQZJQAHJZCKTA-UHFFFAOYSA-N 0 1 228.336 2.252 20 0 BEADMN CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547547 584938450 /nfs/dbraw/zinc/93/84/50/584938450.db2.gz UOGYMPQOFHUNKL-LURJTMIESA-N 0 1 237.690 2.413 20 0 BEADMN CCc1cc(CNC(=O)c2ccc(F)cc2)n[nH]1 ZINC000732788426 584940836 /nfs/dbraw/zinc/94/08/36/584940836.db2.gz LBYPKGRSSYPPQE-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN CCc1cc(CNC(=O)C2CCCCC2)n[nH]1 ZINC000732793669 584941123 /nfs/dbraw/zinc/94/11/23/584941123.db2.gz VJBWFKVXSQLLCZ-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(F)C2)c1 ZINC000684325450 584945097 /nfs/dbraw/zinc/94/50/97/584945097.db2.gz NAUZXCXBKNTKPN-UHFFFAOYSA-N 0 1 247.273 2.055 20 0 BEADMN C[C@H]([N@@H+](C)CN1C[C@H](C)CC1=O)C(C)(C)C ZINC000733290089 584945984 /nfs/dbraw/zinc/94/59/84/584945984.db2.gz PRQMGXIAQOLJMA-MNOVXSKESA-N 0 1 226.364 2.179 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000733289679 584946040 /nfs/dbraw/zinc/94/60/40/584946040.db2.gz NZZSONUFDYBGDM-CHWSQXEVSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H]([N@@H+](C)CN1C[C@@H](C)CC1=O)C(C)(C)C ZINC000733290091 584946102 /nfs/dbraw/zinc/94/61/02/584946102.db2.gz PRQMGXIAQOLJMA-WDEREUQCSA-N 0 1 226.364 2.179 20 0 BEADMN CCCN(CN1C[C@@H](C(C)C)CC1=O)C1CC1 ZINC000733300722 584946558 /nfs/dbraw/zinc/94/65/58/584946558.db2.gz WAXIIXWPZWFEGH-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN CCN(C(=O)Cc1ccn[nH]1)[C@H]1CCCC[C@@H]1C ZINC000174532484 584948347 /nfs/dbraw/zinc/94/83/47/584948347.db2.gz BYRGDZDVKUIFLD-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@H]1CCCCN1Cc1nonc1C ZINC000733896764 584954795 /nfs/dbraw/zinc/95/47/95/584954795.db2.gz VYHVBSPWPDPGID-JTQLQIEISA-N 0 1 209.293 2.143 20 0 BEADMN Cc1nonc1CN(C)CC1CCCCC1 ZINC000734147645 584957195 /nfs/dbraw/zinc/95/71/95/584957195.db2.gz NWBMWXXFEUFCMB-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1nonc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000734146525 584957375 /nfs/dbraw/zinc/95/73/75/584957375.db2.gz KAXRYRWYLGVSCE-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000734434752 584962124 /nfs/dbraw/zinc/96/21/24/584962124.db2.gz BXOIXRKOFMHZBZ-SECBINFHSA-N 0 1 237.347 2.271 20 0 BEADMN CCCCCC[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC000734568071 584964896 /nfs/dbraw/zinc/96/48/96/584964896.db2.gz JZOZYFJVAKSHMZ-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2OCCO3)[C@H]1C ZINC000815163087 584973466 /nfs/dbraw/zinc/97/34/66/584973466.db2.gz OKMVTSJWUBSYLW-QWRGUYRKSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C[Si](C)(C)C ZINC000736468266 585003593 /nfs/dbraw/zinc/00/35/93/585003593.db2.gz LINSJJVYUKJUKE-UHFFFAOYSA-N 0 1 217.385 2.049 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc[nH]2)Cc2ccccc21 ZINC000736543582 585005499 /nfs/dbraw/zinc/00/54/99/585005499.db2.gz OEVNRRANKAITJT-JTQLQIEISA-N 0 1 241.294 2.169 20 0 BEADMN CCc1nc(CN[C@@H](COC)CC(C)C)co1 ZINC000825058483 585029043 /nfs/dbraw/zinc/02/90/43/585029043.db2.gz ZTUMXQLBPKULOM-LLVKDONJSA-N 0 1 240.347 2.388 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000737575675 585036525 /nfs/dbraw/zinc/03/65/25/585036525.db2.gz BAHRVUBTIAMANH-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CC[C@H](C3CC3)O2)[C@H]1C ZINC000886041865 585036630 /nfs/dbraw/zinc/03/66/30/585036630.db2.gz ROBWBSXVBPHUHY-AUZPSNTRSA-N 0 1 239.359 2.053 20 0 BEADMN CCN(CN1CCSC1=S)C1CCC1 ZINC000738056718 585040661 /nfs/dbraw/zinc/04/06/61/585040661.db2.gz YUROZEHXWGILIX-UHFFFAOYSA-N 0 1 230.402 2.152 20 0 BEADMN CCN(CC(=O)NC)Cc1ccc(C2CC2)cc1 ZINC000838791364 585070397 /nfs/dbraw/zinc/07/03/97/585070397.db2.gz QSWZYTREFQTPDJ-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CCC(CC)N(Cc1cnn(CC)n1)C1CC1 ZINC000838788830 585070475 /nfs/dbraw/zinc/07/04/75/585070475.db2.gz MMRAEKSFHQCNOL-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN CCn1ncc(CN2CCC3(CCCC3)CC2)n1 ZINC000838819665 585072129 /nfs/dbraw/zinc/07/21/29/585072129.db2.gz WYTQKZOEDCNWRQ-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCn1ncc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000838842097 585073960 /nfs/dbraw/zinc/07/39/60/585073960.db2.gz RMJCWVYYTXVXIM-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H](CC(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838906100 585077582 /nfs/dbraw/zinc/07/75/82/585077582.db2.gz ZJYVYSZJJJJMDF-JTQLQIEISA-N 0 1 245.282 2.042 20 0 BEADMN C[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1F ZINC000838922611 585078423 /nfs/dbraw/zinc/07/84/23/585078423.db2.gz UDDHRRQHEZFDAX-YUTCNCBUSA-N 0 1 237.318 2.400 20 0 BEADMN CCn1ncc(CNCCCC2CCCC2)n1 ZINC000838893033 585079003 /nfs/dbraw/zinc/07/90/03/585079003.db2.gz VPMRCFNYPZRHHG-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CC(C)CC1(C(=O)OCc2c[nH]nn2)CCC1 ZINC000838899071 585079585 /nfs/dbraw/zinc/07/95/85/585079585.db2.gz FHWGFENTLBYRRP-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN CCC[C@@](C)(CC)C(=O)OCc1c[nH]nn1 ZINC000838900383 585079855 /nfs/dbraw/zinc/07/98/55/585079855.db2.gz QBHMNERLFIRPQR-LLVKDONJSA-N 0 1 225.292 2.064 20 0 BEADMN CCn1ncc(CN[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000838989086 585084765 /nfs/dbraw/zinc/08/47/65/585084765.db2.gz FNFJWZSTDKNWNL-KGLIPLIRSA-N 0 1 248.374 2.356 20 0 BEADMN CCn1ncc(CN2CCC3(CCC3)CC2)n1 ZINC000839091804 585090368 /nfs/dbraw/zinc/09/03/68/585090368.db2.gz IIUBOTBOWXZDAH-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])s1 ZINC000003748098 585091297 /nfs/dbraw/zinc/09/12/97/585091297.db2.gz CDUZGDSFUQUWFS-NSHDSACASA-N 0 1 239.340 2.360 20 0 BEADMN COCC1(C)CN(Cc2cc(C)oc2C)C1 ZINC000839142871 585094852 /nfs/dbraw/zinc/09/48/52/585094852.db2.gz FXAJOYLZWVWYOW-UHFFFAOYSA-N 0 1 223.316 2.365 20 0 BEADMN C[C@@H](NC[C@H]1CC1(Cl)Cl)c1ccn(C)n1 ZINC000839195835 585098679 /nfs/dbraw/zinc/09/86/79/585098679.db2.gz IDTHDYOLLPSKER-HTQZYQBOSA-N 0 1 248.157 2.265 20 0 BEADMN Cc1nnc([C@H](C)N2CCC3(CCCC3)C2)[nH]1 ZINC000839499936 585105872 /nfs/dbraw/zinc/10/58/72/585105872.db2.gz YUGUHUSZTTVIMB-JTQLQIEISA-N 0 1 234.347 2.440 20 0 BEADMN CC[C@H](C(=O)OC/C=C\Cl)N(CC)CC ZINC000741032586 585109494 /nfs/dbraw/zinc/10/94/94/585109494.db2.gz KTGRZDJLGVBBAI-GQYWMQPJSA-N 0 1 233.739 2.403 20 0 BEADMN CCCN(C)CC(=O)N(C)c1ccc(C)cc1 ZINC000741211011 585111231 /nfs/dbraw/zinc/11/12/31/585111231.db2.gz ZVVNEFDVODYJLC-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000741779424 585118329 /nfs/dbraw/zinc/11/83/29/585118329.db2.gz OJYSEGZDEYDSAT-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@H](C)C[C@@H]1C ZINC000741793770 585118915 /nfs/dbraw/zinc/11/89/15/585118915.db2.gz CCTGIOLLJUDKCO-WOPDTQHZSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)C[C@@H]1C ZINC000741795627 585119655 /nfs/dbraw/zinc/11/96/55/585119655.db2.gz POWPDZNRLNLJBP-VWYCJHECSA-N 0 1 213.321 2.058 20 0 BEADMN C/C(=C\C(=O)NCc1cc(C)[nH]n1)C(C)(C)C ZINC000742675008 585129806 /nfs/dbraw/zinc/12/98/06/585129806.db2.gz HZZJAAURSKUIJT-RMKNXTFCSA-N 0 1 235.331 2.327 20 0 BEADMN O=C(Nc1cc[nH]n1)c1c(O)cccc1Cl ZINC000743320211 585135188 /nfs/dbraw/zinc/13/51/88/585135188.db2.gz NHCJOOGGKKQVRH-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN C[C@@H](N(C)Cn1cc[nH]c1=S)C(C)(C)C ZINC000743349777 585135461 /nfs/dbraw/zinc/13/54/61/585135461.db2.gz ULDQOICUANAQEC-SECBINFHSA-N 0 1 227.377 2.496 20 0 BEADMN CCCCN(CC)CN1C(=O)CC12CCC2 ZINC000743348432 585135612 /nfs/dbraw/zinc/13/56/12/585135612.db2.gz MMOHAURVPSOZPN-UHFFFAOYSA-N 0 1 224.348 2.221 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(CC)C2CCC2)C1 ZINC000743364922 585135997 /nfs/dbraw/zinc/13/59/97/585135997.db2.gz PTAMZIYBTNRGSU-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(CC)CCC)C1 ZINC000743360363 585136006 /nfs/dbraw/zinc/13/60/06/585136006.db2.gz SMNQWTKNARKHSA-LBPRGKRZSA-N 0 1 226.364 2.324 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000743391027 585136577 /nfs/dbraw/zinc/13/65/77/585136577.db2.gz RRCUZKWEPUVOOF-GFCCVEGCSA-N 0 1 238.375 2.180 20 0 BEADMN CCCN(CC1CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000743852721 585140756 /nfs/dbraw/zinc/14/07/56/585140756.db2.gz BRJFYKPPBMEEAC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nonc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000744406744 585149879 /nfs/dbraw/zinc/14/98/79/585149879.db2.gz OSYHQOHNTAXCSW-CMPLNLGQSA-N 0 1 221.304 2.143 20 0 BEADMN CC[C@@H](C(=O)OCC1CCC1)N(CC)CC ZINC000745096782 585156473 /nfs/dbraw/zinc/15/64/73/585156473.db2.gz YVGGJWAPCDDQNX-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cccc(CN2CCN(CCF)CC2)c1 ZINC000746494696 585168929 /nfs/dbraw/zinc/16/89/29/585168929.db2.gz RXDVSWIRZFZPFY-UHFFFAOYSA-N 0 1 236.334 2.082 20 0 BEADMN CCc1noc(CN2C[C@@H](C)CC2(C)C)n1 ZINC000746678092 585172121 /nfs/dbraw/zinc/17/21/21/585172121.db2.gz LNLXHMWTRGEJMD-VIFPVBQESA-N 0 1 223.320 2.252 20 0 BEADMN CN(CN1CC2(CCCC2)CC1=O)C1CCC1 ZINC000747459293 585178993 /nfs/dbraw/zinc/17/89/93/585178993.db2.gz LHCFMUAGIUJUKC-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN OC1C=C(N=Nc2nccc3sccc32)NC1 ZINC000747633331 585181389 /nfs/dbraw/zinc/18/13/89/585181389.db2.gz OINAIADIMJQRTP-UHFFFAOYSA-N 0 1 246.295 2.067 20 0 BEADMN CC1(C)CN(C(=O)C=C2CCCCC2)CCN1 ZINC000747921113 585185850 /nfs/dbraw/zinc/18/58/50/585185850.db2.gz WXPGJXUEMBMYMI-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nonc1C ZINC000748829356 585196863 /nfs/dbraw/zinc/19/68/63/585196863.db2.gz UNXBUPUUBWSCTQ-VIFPVBQESA-N 0 1 211.309 2.246 20 0 BEADMN CC(C)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749154548 585200043 /nfs/dbraw/zinc/20/00/43/585200043.db2.gz ZNGWCKCQQDPILO-UHFFFAOYSA-N 0 1 238.306 2.482 20 0 BEADMN CSc1ccncc1NC(=S)NC(C)C ZINC000749895908 585207967 /nfs/dbraw/zinc/20/79/67/585207967.db2.gz DWEFPBPSLLYZBC-UHFFFAOYSA-N 0 1 241.385 2.498 20 0 BEADMN CSc1ccncc1NC(=S)NC1CC1 ZINC000749898116 585208053 /nfs/dbraw/zinc/20/80/53/585208053.db2.gz RWTNFKKZRIMJQC-UHFFFAOYSA-N 0 1 239.369 2.252 20 0 BEADMN CCCN(CC)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749947879 585208720 /nfs/dbraw/zinc/20/87/20/585208720.db2.gz IQGYGTVWAWAXOD-OLZOCXBDSA-N 0 1 238.375 2.467 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)C1 ZINC000749949082 585208956 /nfs/dbraw/zinc/20/89/56/585208956.db2.gz VFBPYKQVNNQBGQ-JHJVBQTASA-N 0 1 236.359 2.077 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(C)C)s1 ZINC000750610072 585217870 /nfs/dbraw/zinc/21/78/70/585217870.db2.gz GCXXXVTUECDXJH-UWVGGRQHSA-N 0 1 240.372 2.184 20 0 BEADMN CC=C(C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000751113870 585224052 /nfs/dbraw/zinc/22/40/52/585224052.db2.gz CHZXPSCOJJJYQN-BAQGIRSFSA-N 0 1 215.256 2.468 20 0 BEADMN CS/C=C/C(=O)Nc1ccc2nc[nH]c2c1 ZINC000751572880 585233074 /nfs/dbraw/zinc/23/30/74/585233074.db2.gz LZTKQHSKFXTGPL-SNAWJCMRSA-N 0 1 233.296 2.378 20 0 BEADMN C[C@H]1CN(Cn2cccnc2=S)C[C@@H]1C ZINC000751931618 585238947 /nfs/dbraw/zinc/23/89/47/585238947.db2.gz XLGTUFUNPXMUCX-UWVGGRQHSA-N 0 1 223.345 2.158 20 0 BEADMN C[C@H]1CN(Cn2c3ccccc3oc2=O)C[C@@H]1C ZINC000751929523 585239537 /nfs/dbraw/zinc/23/95/37/585239537.db2.gz QGDNTILVVIOQCU-QWRGUYRKSA-N 0 1 246.310 2.140 20 0 BEADMN C[C@@H]1CCN(CC(=O)Nc2ccc(O)cc2)[C@H]1C ZINC000752088046 585242136 /nfs/dbraw/zinc/24/21/36/585242136.db2.gz JKYLBMGPIRVAGJ-MNOVXSKESA-N 0 1 248.326 2.061 20 0 BEADMN CCCCCC[C@H](C)C(=O)NCCN1CCC1 ZINC000752293612 585244451 /nfs/dbraw/zinc/24/44/51/585244451.db2.gz LHCZWQZWYXTPID-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCc1cc(CNC(=O)C23CCC(CC2)C3)n[nH]1 ZINC000752324882 585244971 /nfs/dbraw/zinc/24/49/71/585244971.db2.gz YUDBUOGBEDRKFZ-UHFFFAOYSA-N 0 1 247.342 2.169 20 0 BEADMN CCC/C=C\C(=O)Nc1cc(N(C)C)ccn1 ZINC000753013326 585252230 /nfs/dbraw/zinc/25/22/30/585252230.db2.gz LEXDVGZNSMLAKH-SREVYHEPSA-N 0 1 233.315 2.442 20 0 BEADMN C/C(=C/C(=O)Nc1cc(N(C)C)ccn1)C1CC1 ZINC000753014665 585252322 /nfs/dbraw/zinc/25/23/22/585252322.db2.gz DWXHWHULYURIQF-NTMALXAHSA-N 0 1 245.326 2.442 20 0 BEADMN CC/C=C(\C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000753017902 585252369 /nfs/dbraw/zinc/25/23/69/585252369.db2.gz OGXGFDITXHNSQJ-UXBLZVDNSA-N 0 1 233.315 2.442 20 0 BEADMN CN(C)c1ccnc(NC(=O)C=C2CCC2)c1 ZINC000753022202 585252557 /nfs/dbraw/zinc/25/25/57/585252557.db2.gz VVIIUUKFVONMAS-UHFFFAOYSA-N 0 1 231.299 2.196 20 0 BEADMN Cc1csc(C(=O)Nc2c[nH]nn2)c1Cl ZINC000753074946 585253133 /nfs/dbraw/zinc/25/31/33/585253133.db2.gz MAOFJKOAXSMTJD-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN C[C@H](N(C)CN1C(=O)CC12CCC2)C1(C)CC1 ZINC000753112485 585253801 /nfs/dbraw/zinc/25/38/01/585253801.db2.gz TVTHRSDFTXWZGQ-NSHDSACASA-N 0 1 236.359 2.219 20 0 BEADMN CC(C(=O)N1CCNC(C)(C)C1)=C1CCCC1 ZINC000753632863 585265219 /nfs/dbraw/zinc/26/52/19/585265219.db2.gz TWPPQQOVYFNNAE-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CCC(=O)CCN1CCC[C@@H]1c1cc(C)no1 ZINC000753703974 585266853 /nfs/dbraw/zinc/26/68/53/585266853.db2.gz DAHWWJSOIOPETM-GFCCVEGCSA-N 0 1 236.315 2.489 20 0 BEADMN CC(C)(C)C(=O)CCN1CCOC[C@H]1C1CC1 ZINC000753746523 585267843 /nfs/dbraw/zinc/26/78/43/585267843.db2.gz SNHPQTMWDNKVJW-LBPRGKRZSA-N 0 1 239.359 2.103 20 0 BEADMN CN1CC[N@@H+](CCC(=O)C(C)(C)C)C(C)(C)C1 ZINC000753745108 585267845 /nfs/dbraw/zinc/26/78/45/585267845.db2.gz IKSKSQKZZOWABN-UHFFFAOYSA-N 0 1 240.391 2.018 20 0 BEADMN CCC(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000753749115 585268255 /nfs/dbraw/zinc/26/82/55/585268255.db2.gz NZGXNVGVHPBYMP-JTQLQIEISA-N 0 1 235.274 2.059 20 0 BEADMN C[C@@H]1CN(CCC(=O)C(C)(C)C)[C@@H](C)[C@H](C)O1 ZINC000753770907 585268791 /nfs/dbraw/zinc/26/87/91/585268791.db2.gz SPLRELNHYRJIOH-WOPDTQHZSA-N 0 1 241.375 2.489 20 0 BEADMN CCc1nc(COC(=O)c2ccccc2C)n[nH]1 ZINC000753941028 585272094 /nfs/dbraw/zinc/27/20/94/585272094.db2.gz SLBROVGJUCHXEK-UHFFFAOYSA-N 0 1 245.282 2.033 20 0 BEADMN CCC[C@H](C)CC(=O)OCc1n[nH]c(CC)n1 ZINC000753950632 585273193 /nfs/dbraw/zinc/27/31/93/585273193.db2.gz GVHONAFDBOAGBW-VIFPVBQESA-N 0 1 239.319 2.237 20 0 BEADMN CCN1CCN(c2ccnc(C(C)C)n2)C[C@@H]1C ZINC000754079360 585277618 /nfs/dbraw/zinc/27/76/18/585277618.db2.gz GNVGYJHPRBLUTL-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN CCCCCCC(=O)OCc1n[nH]c(CC)n1 ZINC000754782675 585290647 /nfs/dbraw/zinc/29/06/47/585290647.db2.gz IJIDZVBSQQLIJN-UHFFFAOYSA-N 0 1 239.319 2.381 20 0 BEADMN CCc1nc(COC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000754821719 585291352 /nfs/dbraw/zinc/29/13/52/585291352.db2.gz RUNYMVWGSRXVQS-MRVPVSSYSA-N 0 1 239.319 2.093 20 0 BEADMN CCCCN(CN1C[C@H](CC)CC1=O)C1CC1 ZINC000755914272 585310269 /nfs/dbraw/zinc/31/02/69/585310269.db2.gz RCBTZZZWWZCWGK-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@H]1CCN(CC(=O)OCc2ccccc2)C1 ZINC000755994524 585312233 /nfs/dbraw/zinc/31/22/33/585312233.db2.gz IBYHFWBOMUSRMS-ZDUSSCGKSA-N 0 1 247.338 2.462 20 0 BEADMN Cc1nc(CN(C)Cc2c(C)cccc2C)n[nH]1 ZINC000756896964 585325056 /nfs/dbraw/zinc/32/50/56/585325056.db2.gz WHFFBPHONMVSCI-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000839677599 585336703 /nfs/dbraw/zinc/33/67/03/585336703.db2.gz TXIMEFKVLSDWIN-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN Clc1cc(CSc2cn[nH]n2)ccn1 ZINC000757745882 585345348 /nfs/dbraw/zinc/34/53/48/585345348.db2.gz MLLPVAOQHZQUNB-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CCC[C@@H]1CCCN(Cc2nonc2C)C1 ZINC000757850540 585346095 /nfs/dbraw/zinc/34/60/95/585346095.db2.gz SXNKHJHYGCJTOH-LLVKDONJSA-N 0 1 223.320 2.390 20 0 BEADMN CC(C)CCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757882970 585346364 /nfs/dbraw/zinc/34/63/64/585346364.db2.gz FTJLTRBHCZYRDZ-SNVBAGLBSA-N 0 1 236.315 2.419 20 0 BEADMN CCCCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757883782 585346545 /nfs/dbraw/zinc/34/65/45/585346545.db2.gz PZIJHUBLGJRDSM-VIFPVBQESA-N 0 1 222.288 2.173 20 0 BEADMN Cc1cnc(=S)n(CN2CC[C@H](C)C2)c1 ZINC000758320861 585353647 /nfs/dbraw/zinc/35/36/47/585353647.db2.gz WXKYWYUYGAIMQQ-VIFPVBQESA-N 0 1 223.345 2.220 20 0 BEADMN C[C@@H]1CC(=O)N(CN2CC[C@H](C)C(C)(C)C2)C1 ZINC000759000705 585363381 /nfs/dbraw/zinc/36/33/81/585363381.db2.gz REPKSQKDLZEOSC-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1CCN(Cn2cc[nH]c2=S)CC1(C)C ZINC000759001708 585363508 /nfs/dbraw/zinc/36/35/08/585363508.db2.gz YIYDCWLVFYKRSI-JTQLQIEISA-N 0 1 239.388 2.497 20 0 BEADMN CN(CCF)CCCOc1ccc(F)cc1 ZINC000759325829 585367503 /nfs/dbraw/zinc/36/75/03/585367503.db2.gz BNRRVYOEPZQHOG-UHFFFAOYSA-N 0 1 229.270 2.496 20 0 BEADMN COc1ccc2c(c1)CCCN(CCF)C2 ZINC000759338613 585368688 /nfs/dbraw/zinc/36/86/88/585368688.db2.gz LLRDBSQQPCGFHB-UHFFFAOYSA-N 0 1 223.291 2.413 20 0 BEADMN Cc1ccnc(NCCCNc2ncccn2)c1 ZINC000759689878 585378753 /nfs/dbraw/zinc/37/87/53/585378753.db2.gz DGWSPFMVHBNHNL-UHFFFAOYSA-N 0 1 243.314 2.094 20 0 BEADMN C[C@H]1CN(Cc2ccccc2Cl)CCN1C ZINC000761076641 585405947 /nfs/dbraw/zinc/40/59/47/585405947.db2.gz IUWZUASCZJMZIC-NSHDSACASA-N 0 1 238.762 2.476 20 0 BEADMN O[C@H](CN1CC[C@@H]2C[C@@H]21)c1ccc(F)c(F)c1 ZINC000761085547 585407324 /nfs/dbraw/zinc/40/73/24/585407324.db2.gz NATDTQONZOVIOM-OXHMUOHRSA-N 0 1 239.265 2.092 20 0 BEADMN CCc1oc(C(=O)OC)cc1CN1CC[C@@H]2C[C@@H]21 ZINC000761090260 585407890 /nfs/dbraw/zinc/40/78/90/585407890.db2.gz TWSRMJIWHXAAJK-KOLCDFICSA-N 0 1 249.310 2.223 20 0 BEADMN Cc1nc(CN2CC[C@@H]3C[C@@H]32)sc1C ZINC000761094311 585408693 /nfs/dbraw/zinc/40/86/93/585408693.db2.gz NNOGLNUCKROTDC-ZJUUUORDSA-N 0 1 208.330 2.354 20 0 BEADMN COc1ccc(CN2CC[C@H]3C[C@H]32)cc1F ZINC000761096091 585408770 /nfs/dbraw/zinc/40/87/70/585408770.db2.gz ROCRYAIVNYNNME-CMPLNLGQSA-N 0 1 221.275 2.429 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]([C@H](C)C2CC2)C2CC2)n1 ZINC000761864551 585420951 /nfs/dbraw/zinc/42/09/51/585420951.db2.gz ORZCXLFLZZHLIV-SNVBAGLBSA-N 0 1 247.342 2.254 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]([C@H](C)C2CC2)C2CC2)n1 ZINC000761864551 585420952 /nfs/dbraw/zinc/42/09/52/585420952.db2.gz ORZCXLFLZZHLIV-SNVBAGLBSA-N 0 1 247.342 2.254 20 0 BEADMN C/C(=C\C(=O)N1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000762815332 585437755 /nfs/dbraw/zinc/43/77/55/585437755.db2.gz XKQWTHMBOZYLFH-LMMOQWNQSA-N 0 1 238.375 2.141 20 0 BEADMN C/C(=C/C(=O)N1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000762815334 585437830 /nfs/dbraw/zinc/43/78/30/585437830.db2.gz XKQWTHMBOZYLFH-UCQJPZFISA-N 0 1 238.375 2.141 20 0 BEADMN CCc1nc([C@@H](C)NC(=O)C=C2CCCC2)n[nH]1 ZINC000763200708 585444366 /nfs/dbraw/zinc/44/43/66/585444366.db2.gz HJJYVRHDIXDMGN-SECBINFHSA-N 0 1 248.330 2.045 20 0 BEADMN Cc1cnc(C(=O)Nc2ncccc2C)c(O)c1 ZINC000763282370 585445854 /nfs/dbraw/zinc/44/58/54/585445854.db2.gz ABQGMBKCZFFSLM-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CN(CCCF)CC[N@H+](C)Cc1ccccc1 ZINC000887142326 585447313 /nfs/dbraw/zinc/44/73/13/585447313.db2.gz FQSIFGRHWXHCPW-UHFFFAOYSA-N 0 1 238.350 2.410 20 0 BEADMN CC[C@H](C(=O)N(C)c1ccc(C)cc1)N(C)C ZINC000764387930 585464306 /nfs/dbraw/zinc/46/43/06/585464306.db2.gz SJWUGFREIOTGOW-CYBMUJFWSA-N 0 1 234.343 2.298 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C(C)=C(C)C)C[C@@H]1C ZINC000765929112 585493864 /nfs/dbraw/zinc/49/38/64/585493864.db2.gz KCNZDQOXDFKMPY-NWDGAFQWSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C=C(/C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000765939848 585494003 /nfs/dbraw/zinc/49/40/03/585494003.db2.gz JXUCHPQFLGBHCA-WDSMJVJCSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@H]1CCN(Cn2ccc(-c3nccs3)n2)C1 ZINC000766069325 585497178 /nfs/dbraw/zinc/49/71/78/585497178.db2.gz MDVQXKMJNNPZGU-JTQLQIEISA-N 0 1 248.355 2.306 20 0 BEADMN C[C@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000766690240 585505308 /nfs/dbraw/zinc/50/53/08/585505308.db2.gz CGGAAMVTEPTUNU-SKDRFNHKSA-N 0 1 247.342 2.340 20 0 BEADMN Cc1cc(C[NH2+]CCn2cc[nH+]c2C)c(C)o1 ZINC000767364897 585517681 /nfs/dbraw/zinc/51/76/81/585517681.db2.gz WPQIUBFIHRKNJY-UHFFFAOYSA-N 0 1 233.315 2.191 20 0 BEADMN CC1(C)CN(CN2CCCC2=O)CC(C)(C)C1 ZINC000767512587 585521577 /nfs/dbraw/zinc/52/15/77/585521577.db2.gz BASSZFNSQZCQEL-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN O=C(NOC1CCCC1)c1ccc(O)c(F)c1 ZINC000768389834 585537685 /nfs/dbraw/zinc/53/76/85/585537685.db2.gz TVHVNBFDPHVDTB-UHFFFAOYSA-N 0 1 239.246 2.135 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cc(C(C)C)n[nH]1 ZINC000768897175 585546015 /nfs/dbraw/zinc/54/60/15/585546015.db2.gz MXRIKEUIQUPGHP-VIFPVBQESA-N 0 1 239.319 2.335 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](F)c1ccccc1 ZINC000769377983 585555033 /nfs/dbraw/zinc/55/50/33/585555033.db2.gz YOODMHGDRPEGGK-LBPRGKRZSA-N 0 1 247.273 2.045 20 0 BEADMN CN(C)Cc1ccc(NCc2cn[nH]c2)cc1F ZINC000770600020 585577012 /nfs/dbraw/zinc/57/70/12/585577012.db2.gz FIUDFJZSANKPMA-UHFFFAOYSA-N 0 1 248.305 2.223 20 0 BEADMN Cc1nc(COC(=O)CC2=CCCCC2)n[nH]1 ZINC000770647525 585579151 /nfs/dbraw/zinc/57/91/51/585579151.db2.gz LESMKISPNPVALA-UHFFFAOYSA-N 0 1 235.287 2.047 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)NOC1CCCC1 ZINC000770694261 585580164 /nfs/dbraw/zinc/58/01/64/585580164.db2.gz JYILQIQIGGWAPL-UHFFFAOYSA-N 0 1 237.303 2.137 20 0 BEADMN CC=C(C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000770823815 585582344 /nfs/dbraw/zinc/58/23/44/585582344.db2.gz JNGBYVUYILPDBH-YCRREMRBSA-N 0 1 242.282 2.376 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C=C2CCCC2)CCN1C ZINC000771396644 585593887 /nfs/dbraw/zinc/59/38/87/585593887.db2.gz ODFDWQLPJWARIK-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CCc1noc(C)c1[C@@H](C)NCCn1cccn1 ZINC000772950508 585628011 /nfs/dbraw/zinc/62/80/11/585628011.db2.gz JKYWTFNJBCTAPM-SNVBAGLBSA-N 0 1 248.330 2.093 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773124320 585632077 /nfs/dbraw/zinc/63/20/77/585632077.db2.gz XKPWZKYXFNFEMI-KOLCDFICSA-N 0 1 232.331 2.468 20 0 BEADMN O=C(C[C@@H]1CCCCO1)NOc1ccccc1 ZINC000773466939 585637392 /nfs/dbraw/zinc/63/73/92/585637392.db2.gz PCTSPOXZVISOMO-LBPRGKRZSA-N 0 1 235.283 2.056 20 0 BEADMN Cc1cccc(CN2CCOCC[C@@H]2C)n1 ZINC000775566145 585679907 /nfs/dbraw/zinc/67/99/07/585679907.db2.gz JMRGTTXRCUZCNL-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782186 585684328 /nfs/dbraw/zinc/68/43/28/585684328.db2.gz CZNNOIROYYOAGV-KOLCDFICSA-N 0 1 235.331 2.111 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782186 585684329 /nfs/dbraw/zinc/68/43/29/585684329.db2.gz CZNNOIROYYOAGV-KOLCDFICSA-N 0 1 235.331 2.111 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)OCC(C)C ZINC000776580377 585700996 /nfs/dbraw/zinc/70/09/96/585700996.db2.gz YCOYFBXOQKGZPN-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)COC(=O)CN1CCCCC[C@@H]1C ZINC000776583382 585701556 /nfs/dbraw/zinc/70/15/56/585701556.db2.gz FAUJCXYASGQLDZ-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)COC(=O)CN(CC1CC1)C(C)C ZINC000776586077 585701937 /nfs/dbraw/zinc/70/19/37/585701937.db2.gz JDMIOIKPKIJIIG-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1CC(=O)OCC(C)C ZINC000776586961 585701980 /nfs/dbraw/zinc/70/19/80/585701980.db2.gz BXENDRMKFMYMPK-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1CC(=O)OCC(C)C ZINC000776586964 585702000 /nfs/dbraw/zinc/70/20/00/585702000.db2.gz BXENDRMKFMYMPK-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776602389 585702294 /nfs/dbraw/zinc/70/22/94/585702294.db2.gz IORZGRORAUZUCT-WDEREUQCSA-N 0 1 242.363 2.336 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1CC(=O)OCC(C)C ZINC000776596886 585702516 /nfs/dbraw/zinc/70/25/16/585702516.db2.gz ABCQMWBUSLGINA-VXGBXAGGSA-N 0 1 227.348 2.449 20 0 BEADMN c1cc([C@@H]2CCCN2Cn2cnnc2)cs1 ZINC000776757301 585704159 /nfs/dbraw/zinc/70/41/59/585704159.db2.gz MYXVAUXYSCYECE-NSHDSACASA-N 0 1 234.328 2.134 20 0 BEADMN CC[C@H](C)OC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777084811 585708284 /nfs/dbraw/zinc/70/82/84/585708284.db2.gz KAQZAAZLQQWSAA-VIFPVBQESA-N 0 1 236.315 2.173 20 0 BEADMN Cc1ccc(N[C@@H](C)[C@@H]2CCOC2)c(N(C)C)n1 ZINC000777275387 585709935 /nfs/dbraw/zinc/70/99/35/585709935.db2.gz NCFCFBSFLLOXNG-NWDGAFQWSA-N 0 1 249.358 2.293 20 0 BEADMN CCCCOC(=O)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000778231328 585728398 /nfs/dbraw/zinc/72/83/98/585728398.db2.gz DTFBKHHOKVRQFD-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN OCCCCCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000778229211 585728563 /nfs/dbraw/zinc/72/85/63/585728563.db2.gz XRQYZXKXCPIFAM-GFCCVEGCSA-N 0 1 237.347 2.099 20 0 BEADMN C[C@@H]1CC[C@](CO)(N(C)Cc2cscn2)C1 ZINC000778426803 585734663 /nfs/dbraw/zinc/73/46/63/585734663.db2.gz BUHYZDIJMLYXNA-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN CC[C@@H](C(=O)O[C@@H]1C=CCC1)N(CC)CC ZINC000778712887 585739719 /nfs/dbraw/zinc/73/97/19/585739719.db2.gz LORUJAHGDCAKKI-NEPJUHHUSA-N 0 1 225.332 2.369 20 0 BEADMN OCCCCCCN1CCC=C(F)C1 ZINC000778961956 585743155 /nfs/dbraw/zinc/74/31/55/585743155.db2.gz XFZYUTFXHWDTJV-UHFFFAOYSA-N 0 1 201.285 2.098 20 0 BEADMN CC(C)(C(=O)NOCC(F)F)c1ccccc1 ZINC000779431429 585754959 /nfs/dbraw/zinc/75/49/59/585754959.db2.gz FHWUDJSAYXCEAK-UHFFFAOYSA-N 0 1 243.253 2.277 20 0 BEADMN CC[C@H](CO)C(=O)Nc1cccc(Cl)c1O ZINC000779822486 585767467 /nfs/dbraw/zinc/76/74/67/585767467.db2.gz BNPVWQIBECBAMF-SSDOTTSWSA-N 0 1 243.690 2.003 20 0 BEADMN FCCN1CC[C@H](COc2ccccc2)C1 ZINC000780369508 585778444 /nfs/dbraw/zinc/77/84/44/585778444.db2.gz RHMNTNZLJOYFII-LBPRGKRZSA-N 0 1 223.291 2.357 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000781013005 585788747 /nfs/dbraw/zinc/78/87/47/585788747.db2.gz ILEFPEFUXVMULR-QVDRPMGRSA-N 0 1 238.375 2.284 20 0 BEADMN O=C(CCN1CCC[C@H](OC(F)F)C1)C1CC1 ZINC000781351710 585794955 /nfs/dbraw/zinc/79/49/55/585794955.db2.gz BIRHPXOABNJZOZ-JTQLQIEISA-N 0 1 247.285 2.059 20 0 BEADMN CCCC[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000782175796 585809987 /nfs/dbraw/zinc/80/99/87/585809987.db2.gz SCPIQKMKEPEBET-UHFFFAOYSA-N 0 1 221.348 2.380 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N(C)C[C@@H]1C ZINC000782585045 585820635 /nfs/dbraw/zinc/82/06/35/585820635.db2.gz MDZZXJWJWFMUMM-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN COC(=O)/C(C)=C/CN[C@H](C)c1cnccc1C ZINC000783000209 585826852 /nfs/dbraw/zinc/82/68/52/585826852.db2.gz SMZQNXMRJGBVFS-IGEMTJHASA-N 0 1 248.326 2.160 20 0 BEADMN COC(=O)/C(C)=C\CN[C@H](C)c1cnccc1C ZINC000783000208 585826968 /nfs/dbraw/zinc/82/69/68/585826968.db2.gz SMZQNXMRJGBVFS-HUMZTAOYSA-N 0 1 248.326 2.160 20 0 BEADMN CCc1cc(CNC(=O)C2=CCCCC2)n[nH]1 ZINC000783625832 585838659 /nfs/dbraw/zinc/83/86/59/585838659.db2.gz GCLGGSSFLTWPSL-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN O=C(c1c(O)cccc1Cl)N1CCCCO1 ZINC000785434093 585873850 /nfs/dbraw/zinc/87/38/50/585873850.db2.gz JEIVJPAWWARNDK-UHFFFAOYSA-N 0 1 241.674 2.213 20 0 BEADMN CC(C)CCOC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785744077 585879311 /nfs/dbraw/zinc/87/93/11/585879311.db2.gz NOIYVTSWXBNJKF-RYUDHWBXSA-N 0 1 227.348 2.449 20 0 BEADMN CO[C@H](C)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786339543 585889964 /nfs/dbraw/zinc/88/99/64/585889964.db2.gz JYGJJOVSHFIMJM-MRVPVSSYSA-N 0 1 240.303 2.033 20 0 BEADMN CCCC(N)=NOCCC(C)(C)OC ZINC000786743930 585897205 /nfs/dbraw/zinc/89/72/05/585897205.db2.gz JUELGUDYHIAHMC-UHFFFAOYSA-N 0 1 202.298 2.100 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1ncnn1-c1ccccc1 ZINC000786935172 585898740 /nfs/dbraw/zinc/89/87/40/585898740.db2.gz AUKBTBUJQVTLLB-YPMHNXCESA-N 0 1 242.326 2.155 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1ncnn1-c1ccccc1 ZINC000786935164 585898841 /nfs/dbraw/zinc/89/88/41/585898841.db2.gz AUKBTBUJQVTLLB-AAEUAGOBSA-N 0 1 242.326 2.155 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C(F)F ZINC000787573924 585912248 /nfs/dbraw/zinc/91/22/48/585912248.db2.gz XXGXOANELASFPQ-UHFFFAOYSA-N 0 1 225.198 2.075 20 0 BEADMN Cc1nn[nH]c1C(=O)N(C1CC1)C1CCCCC1 ZINC000789905183 585952864 /nfs/dbraw/zinc/95/28/64/585952864.db2.gz JMQNBAMYCFKKPK-UHFFFAOYSA-N 0 1 248.330 2.050 20 0 BEADMN C[C@H](CC(=O)Nc1c[nH]nn1)c1ccc(F)cc1 ZINC000789925382 585953370 /nfs/dbraw/zinc/95/33/70/585953370.db2.gz BEBWXOJVRWMLFM-MRVPVSSYSA-N 0 1 248.261 2.076 20 0 BEADMN CC(C)[C@@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789925669 585953405 /nfs/dbraw/zinc/95/34/05/585953405.db2.gz IAJXGZMFMYTHRO-GFCCVEGCSA-N 0 1 244.298 2.183 20 0 BEADMN C[C@H](CC(=O)Nc1c[nH]nn1)C1CCCCC1 ZINC000789929278 585954064 /nfs/dbraw/zinc/95/40/64/585954064.db2.gz VZGVLNICKZNGGJ-SECBINFHSA-N 0 1 236.319 2.350 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@H](C)[C@H](C)O1 ZINC000791540989 585983486 /nfs/dbraw/zinc/98/34/86/585983486.db2.gz DYLJGWKQZWZDJJ-GUIRCDHDSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccccc1F ZINC000791572323 585984299 /nfs/dbraw/zinc/98/42/99/585984299.db2.gz DAAURDOIULYVDC-GIPNMCIBSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccc(F)cc1F ZINC000791575495 585984959 /nfs/dbraw/zinc/98/49/59/585984959.db2.gz WQPUWBIWYCEOTL-JRKPZEMJSA-N 0 1 241.281 2.481 20 0 BEADMN CCOC[C@@H](C)OC(=O)[C@@H](CC)N(CC)CC ZINC000792034020 585994277 /nfs/dbraw/zinc/99/42/77/585994277.db2.gz OREVPOVFXANSQZ-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CN(Cc1ccoc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792209531 585997930 /nfs/dbraw/zinc/99/79/30/585997930.db2.gz XAOBGIMSXUPWIY-GFCCVEGCSA-N 0 1 249.310 2.197 20 0 BEADMN O=C(OC1(C2CC2)CC1)c1ccc2cncn2c1 ZINC000793162093 586012477 /nfs/dbraw/zinc/01/24/77/586012477.db2.gz LDMSDBUVKYUPCF-UHFFFAOYSA-N 0 1 242.278 2.434 20 0 BEADMN CC1(OC(=O)c2ccc3cncn3c2)CCC1 ZINC000793167736 586012699 /nfs/dbraw/zinc/01/26/99/586012699.db2.gz SRWJWEARISLLCD-UHFFFAOYSA-N 0 1 230.267 2.434 20 0 BEADMN O=C(O[C@H]1C=CCC1)c1ccc2cncn2c1 ZINC000793191296 586013650 /nfs/dbraw/zinc/01/36/50/586013650.db2.gz QQBNGLRDXQSEBV-LBPRGKRZSA-N 0 1 228.251 2.210 20 0 BEADMN Cc1nc(CNC(C)(C)c2ccc(F)cc2)n[nH]1 ZINC000794411046 586039152 /nfs/dbraw/zinc/03/91/52/586039152.db2.gz JIOTYLKYDXBTNQ-UHFFFAOYSA-N 0 1 248.305 2.277 20 0 BEADMN CC[C@@H](C)CONC(=O)Cc1csc(C)n1 ZINC000794871636 586052283 /nfs/dbraw/zinc/05/22/83/586052283.db2.gz RGUQJDVYPBPJNW-MRVPVSSYSA-N 0 1 242.344 2.088 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H](C(F)F)CC1=O ZINC000795418993 586077858 /nfs/dbraw/zinc/07/78/58/586077858.db2.gz XZXMFVGXAOJUKX-JTQLQIEISA-N 0 1 248.317 2.035 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C=C2CCC2)n1 ZINC000795453963 586079273 /nfs/dbraw/zinc/07/92/73/586079273.db2.gz QJTANTXRQNBIPA-UHFFFAOYSA-N 0 1 235.287 2.082 20 0 BEADMN CC(C)c1nc(COC(=O)C=C2CCC2)n[nH]1 ZINC000795453963 586079275 /nfs/dbraw/zinc/07/92/75/586079275.db2.gz QJTANTXRQNBIPA-UHFFFAOYSA-N 0 1 235.287 2.082 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2C[C@H]2C2CC2)n1 ZINC000795455953 586079416 /nfs/dbraw/zinc/07/94/16/586079416.db2.gz GXAJXJAYNVMRRA-UWVGGRQHSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2C[C@H]2C2CC2)n[nH]1 ZINC000795455953 586079418 /nfs/dbraw/zinc/07/94/18/586079418.db2.gz GXAJXJAYNVMRRA-UWVGGRQHSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2CC2(C)C)n1 ZINC000795480705 586080781 /nfs/dbraw/zinc/08/07/81/586080781.db2.gz NTCCXFIUOGDLOB-MRVPVSSYSA-N 0 1 237.303 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC000795480705 586080783 /nfs/dbraw/zinc/08/07/83/586080783.db2.gz NTCCXFIUOGDLOB-MRVPVSSYSA-N 0 1 237.303 2.017 20 0 BEADMN CC1=C(C(=O)OCc2nc(C(C)C)n[nH]2)CCC1 ZINC000795490097 586081605 /nfs/dbraw/zinc/08/16/05/586081605.db2.gz KKSQACOFPJWMGK-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CC1=C(C(=O)OCc2n[nH]c(C(C)C)n2)CCC1 ZINC000795490097 586081607 /nfs/dbraw/zinc/08/16/07/586081607.db2.gz KKSQACOFPJWMGK-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000795505999 586081699 /nfs/dbraw/zinc/08/16/99/586081699.db2.gz LCFKQVTZZHCXNK-JZYVYDRUSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000795505999 586081700 /nfs/dbraw/zinc/08/17/00/586081700.db2.gz LCFKQVTZZHCXNK-JZYVYDRUSA-N 0 1 249.314 2.017 20 0 BEADMN Cc1cc(C(=O)OCc2nc(C(C)C)n[nH]2)co1 ZINC000795530963 586083824 /nfs/dbraw/zinc/08/38/24/586083824.db2.gz OCPXMHJUDZQXCU-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1cc(C(=O)OCc2n[nH]c(C(C)C)n2)co1 ZINC000795530963 586083826 /nfs/dbraw/zinc/08/38/26/586083826.db2.gz OCPXMHJUDZQXCU-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC[C@H](C)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000795649651 586090243 /nfs/dbraw/zinc/09/02/43/586090243.db2.gz CQTDIFKSFRZSOI-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN CN(CCC(C)(C)C)[C@H]1CC(C)(C)OC1=O ZINC000795684839 586091006 /nfs/dbraw/zinc/09/10/06/586091006.db2.gz ARGKUXULFLRJIL-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795698845 586091478 /nfs/dbraw/zinc/09/14/78/586091478.db2.gz MZEFQOFDFRGMPC-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN COC(=O)c1cccc(CNCc2ccoc2)c1 ZINC000795901473 586094100 /nfs/dbraw/zinc/09/41/00/586094100.db2.gz FYNBDJWJCPODNI-UHFFFAOYSA-N 0 1 245.278 2.356 20 0 BEADMN Cc1nonc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000796534436 586106225 /nfs/dbraw/zinc/10/62/25/586106225.db2.gz YQCLJEPVIZGCED-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nc(COC(=O)c2ccoc2C(C)C)n[nH]1 ZINC000796767104 586112132 /nfs/dbraw/zinc/11/21/32/586112132.db2.gz CPENLDSRXCKYLR-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1nnnn1C1CC1 ZINC000796967690 586118171 /nfs/dbraw/zinc/11/81/71/586118171.db2.gz YEPSQLDMNZCGNU-ZMLRMANQSA-N 0 1 249.362 2.093 20 0 BEADMN CCc1nc(COC(=O)CC[C@H](C)CC)n[nH]1 ZINC000797267942 586124804 /nfs/dbraw/zinc/12/48/04/586124804.db2.gz IZXTZKJOWRQEMW-SECBINFHSA-N 0 1 239.319 2.237 20 0 BEADMN CC1=C[C@@H](C)CN(CN2C[C@H](C3CC3)CC2=O)C1 ZINC000797417653 586126480 /nfs/dbraw/zinc/12/64/80/586126480.db2.gz RCYRSUYNJGKMLN-BXUZGUMPSA-N 0 1 248.370 2.100 20 0 BEADMN CC1=C[C@H](C)CN(CN2CCSC2=S)C1 ZINC000797417603 586126495 /nfs/dbraw/zinc/12/64/95/586126495.db2.gz PSHZQRANVIBBBT-VIFPVBQESA-N 0 1 242.413 2.176 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC(C)=C[C@H](C)C2)C1 ZINC000797416059 586126611 /nfs/dbraw/zinc/12/66/11/586126611.db2.gz GJSMMLXOALLGOS-WCQYABFASA-N 0 1 236.359 2.100 20 0 BEADMN C[S@](=O)CCN(Cc1ccccc1)C1CC1 ZINC000798192890 586139056 /nfs/dbraw/zinc/13/90/56/586139056.db2.gz GHXLUCHAADPVHG-INIZCTEOSA-N 0 1 237.368 2.030 20 0 BEADMN C[N@@H+](CC[S@@](C)=O)C1CCCCCCC1 ZINC000798195771 586139791 /nfs/dbraw/zinc/13/97/91/586139791.db2.gz PODROBRKNCHDBS-OAHLLOKOSA-N 0 1 231.405 2.410 20 0 BEADMN C[S@@](=O)CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000798195631 586139907 /nfs/dbraw/zinc/13/99/07/586139907.db2.gz OVXYYZVOVYDFJP-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H](C)C1CCC1)N(C)C ZINC000798838904 586150333 /nfs/dbraw/zinc/15/03/33/586150333.db2.gz UAAUDBJSRREUCD-PWSUYJOCSA-N 0 1 227.348 2.304 20 0 BEADMN CC/C=C/COC(=O)[C@H](C(C)C)N(C)C ZINC000798817829 586150355 /nfs/dbraw/zinc/15/03/55/586150355.db2.gz DEGWEMCQASJATI-AEZGRPFRSA-N 0 1 213.321 2.082 20 0 BEADMN CCCc1occc1C(=O)OCc1n[nH]c(C)n1 ZINC000798840730 586150941 /nfs/dbraw/zinc/15/09/41/586150941.db2.gz BUFFDGBMWDOEMH-UHFFFAOYSA-N 0 1 249.270 2.016 20 0 BEADMN CCC[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798859495 586151790 /nfs/dbraw/zinc/15/17/90/586151790.db2.gz JCIIIJXGZCFDJJ-WDEREUQCSA-N 0 1 215.337 2.304 20 0 BEADMN CCC[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798859492 586151939 /nfs/dbraw/zinc/15/19/39/586151939.db2.gz JCIIIJXGZCFDJJ-GHMZBOCLSA-N 0 1 215.337 2.304 20 0 BEADMN CS[C@@H](C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798865374 586152037 /nfs/dbraw/zinc/15/20/37/586152037.db2.gz YVHLJFGIUVRXTF-VWYCJHECSA-N 0 1 247.404 2.256 20 0 BEADMN CS[C@H](C)[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798865371 586152091 /nfs/dbraw/zinc/15/20/91/586152091.db2.gz YVHLJFGIUVRXTF-HBNTYKKESA-N 0 1 247.404 2.256 20 0 BEADMN CCC(N)=NOCCCCC1CCOCC1 ZINC000799175442 586164491 /nfs/dbraw/zinc/16/44/91/586164491.db2.gz YLNFVDOHAPWREU-UHFFFAOYSA-N 0 1 228.336 2.492 20 0 BEADMN C[C@]1(F)CCCN(CCOC2CCOCC2)C1 ZINC000859318076 589031413 /nfs/dbraw/zinc/03/14/13/589031413.db2.gz BHMFOAPADRPRRR-ZDUSSCGKSA-N 0 1 245.338 2.006 20 0 BEADMN c1cc(CN2CC[C@@H](c3ccccn3)C2)on1 ZINC000799191639 586166281 /nfs/dbraw/zinc/16/62/81/586166281.db2.gz ORVMCUUKKIJIRH-LLVKDONJSA-N 0 1 229.283 2.059 20 0 BEADMN CS[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859322240 589032057 /nfs/dbraw/zinc/03/20/57/589032057.db2.gz MONFDNAZLHWCHQ-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN O=C(N[C@@H]1C[C@H]1c1ccsc1)C(F)(F)F ZINC000859343546 589032736 /nfs/dbraw/zinc/03/27/36/589032736.db2.gz ZUUDMKQVHNDBEP-NKWVEPMBSA-N 0 1 235.230 2.283 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H]2CCC=CO2)nn1C ZINC000800490079 586223075 /nfs/dbraw/zinc/22/30/75/586223075.db2.gz HBHJVCVOMRZEAN-NEPJUHHUSA-N 0 1 235.331 2.072 20 0 BEADMN CCC[C@@H](C)N1CCO[C@H](C(F)F)C1 ZINC000801559036 586261572 /nfs/dbraw/zinc/26/15/72/586261572.db2.gz BGUBPTNZSXPETB-BDAKNGLRSA-N 0 1 207.264 2.141 20 0 BEADMN CCC[C@H](C)N1CCO[C@@H](C(F)F)C1 ZINC000801559037 586261739 /nfs/dbraw/zinc/26/17/39/586261739.db2.gz BGUBPTNZSXPETB-DTWKUNHWSA-N 0 1 207.264 2.141 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCc2c[nH]nc2C1 ZINC000801934309 586278538 /nfs/dbraw/zinc/27/85/38/586278538.db2.gz KFDCUFYSUDQINF-UHFFFAOYSA-N 0 1 239.388 2.300 20 0 BEADMN CC(C)(C)SCCN1CCc2c[nH]nc2C1 ZINC000801934309 586278546 /nfs/dbraw/zinc/27/85/46/586278546.db2.gz KFDCUFYSUDQINF-UHFFFAOYSA-N 0 1 239.388 2.300 20 0 BEADMN CCCCN(CN1C[C@@H](C)[C@@H](C)C1=O)C1CC1 ZINC000839957454 586294807 /nfs/dbraw/zinc/29/48/07/586294807.db2.gz CGSACSSDFGRTIK-VXGBXAGGSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CCN(CN1CC[C@H](C)C1=O)C1CC1 ZINC000839957543 586295364 /nfs/dbraw/zinc/29/53/64/586295364.db2.gz FZGOQZZEUXUGHH-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CN(CN1C[C@H](C)[C@@H](C)C1=O)C1CC1 ZINC000839958525 586295800 /nfs/dbraw/zinc/29/58/00/586295800.db2.gz KOIYHLCZOVVWHN-NWDGAFQWSA-N 0 1 238.375 2.179 20 0 BEADMN CC(C)N(CN1CCC(C)(C)C1=O)C1CC1 ZINC000839958510 586296124 /nfs/dbraw/zinc/29/61/24/586296124.db2.gz KNYGYIMEWZRQMA-UHFFFAOYSA-N 0 1 224.348 2.075 20 0 BEADMN CCC1CCN(CN2CCC(C)(C)C2=O)CC1 ZINC000839967929 586305401 /nfs/dbraw/zinc/30/54/01/586305401.db2.gz IWRDIABLLPQHKT-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC(C)CCN(C)CN1C[C@H](C)[C@H](C)C1=O ZINC000839973793 586309260 /nfs/dbraw/zinc/30/92/60/586309260.db2.gz GDHZTKAAEREXDB-RYUDHWBXSA-N 0 1 226.364 2.036 20 0 BEADMN CC(C)CCN(C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839974990 586309279 /nfs/dbraw/zinc/30/92/79/586309279.db2.gz NMATVUOPDVDBCK-CHWSQXEVSA-N 0 1 238.375 2.180 20 0 BEADMN CCC[C@@H](C)CC(=O)OCCN1CCC1 ZINC000861386536 589162737 /nfs/dbraw/zinc/16/27/37/589162737.db2.gz DPBKNVHDEJQHDC-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839994076 586336225 /nfs/dbraw/zinc/33/62/25/586336225.db2.gz SORDBEJVCXECPQ-AVGNSLFASA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H](C(=O)OC[C@H]1C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000859566773 589045472 /nfs/dbraw/zinc/04/54/72/589045472.db2.gz LXXSVVISMYKTDS-NAWOPXAZSA-N 0 1 239.359 2.447 20 0 BEADMN CN(CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1)C1CCC1 ZINC000840009235 586366386 /nfs/dbraw/zinc/36/63/86/586366386.db2.gz AFPALLUAHIRYKI-KBPBESRZSA-N 0 1 248.370 2.075 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CC2CCCC2)n[nH]1 ZINC000840013988 586368768 /nfs/dbraw/zinc/36/87/68/586368768.db2.gz YOWYKRDYQTTZME-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN CC[C@]1(C)CCCN(CN2CC[C@@H](C)C2=O)C1 ZINC000840015661 586372469 /nfs/dbraw/zinc/37/24/69/586372469.db2.gz PZZUKPGPFTZUCN-TZMCWYRMSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H](N(C)CN1C[C@@H](C)[C@@H](C)C1=O)C1(C)CC1 ZINC000840024115 586383192 /nfs/dbraw/zinc/38/31/92/586383192.db2.gz ULLNDZDCTBSRJG-UTUOFQBUSA-N 0 1 238.375 2.179 20 0 BEADMN CCCCCCNC(=O)CN(C1CC1)C1CC1 ZINC000859621775 589049319 /nfs/dbraw/zinc/04/93/19/589049319.db2.gz QUGAVRWHUBMSKT-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CCN(CCC1CC1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840046719 586396797 /nfs/dbraw/zinc/39/67/97/586396797.db2.gz CKCQUASXVOFJCN-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN O=C1[C@H]2CCC[C@@H]2CN1CN1CCCC2(CC2)C1 ZINC000840051880 586400560 /nfs/dbraw/zinc/40/05/60/586400560.db2.gz DFEJYENGOWFKIN-OLZOCXBDSA-N 0 1 248.370 2.078 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000859663028 589052775 /nfs/dbraw/zinc/05/27/75/589052775.db2.gz IEYGRNZSMUALGQ-WYUUTHIRSA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)[C@H](N)c1noc(/C=C/c2cccnc2)n1 ZINC000843148783 586448332 /nfs/dbraw/zinc/44/83/32/586448332.db2.gz WQLXSWAZQMHSIF-FYJFLYSWSA-N 0 1 244.298 2.291 20 0 BEADMN O=C(C=CSc1ccccc1)Nc1c[nH]nn1 ZINC000807922824 586451855 /nfs/dbraw/zinc/45/18/55/586451855.db2.gz KKKNMGDWKFLEAB-VOTSOKGWSA-N 0 1 246.295 2.049 20 0 BEADMN CCN1C(=O)N=NC1SCOC1CCCC1 ZINC000808014424 586459229 /nfs/dbraw/zinc/45/92/29/586459229.db2.gz HEWYHPJZAGOGML-UHFFFAOYSA-N 0 1 243.332 2.012 20 0 BEADMN CCCN(CN1C(=O)CCC1(C)C)C1CC1 ZINC000808153433 586464551 /nfs/dbraw/zinc/46/45/51/586464551.db2.gz BZYXBKDAZVHLQX-UHFFFAOYSA-N 0 1 224.348 2.219 20 0 BEADMN CCCN(C)CN1CCN(c2ccccc2)C1=O ZINC000808149639 586464603 /nfs/dbraw/zinc/46/46/03/586464603.db2.gz JBIYLVNCWRVOAD-UHFFFAOYSA-N 0 1 247.342 2.228 20 0 BEADMN CC1(C)CC(=O)N(CN2CCCC(C)(C)C2)C1 ZINC000808157350 586464638 /nfs/dbraw/zinc/46/46/38/586464638.db2.gz ITXZPBZDCWAQIJ-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000808164258 586465846 /nfs/dbraw/zinc/46/58/46/586465846.db2.gz FQUKAHCXLQZPNX-AAEUAGOBSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cn(C)cn1 ZINC000808389456 586470042 /nfs/dbraw/zinc/47/00/42/586470042.db2.gz RPTAXXBUAADLSE-XHDPSFHLSA-N 0 1 241.338 2.443 20 0 BEADMN Cc1cccc(C)c1CNCc1cn(C)cn1 ZINC000808395917 586470680 /nfs/dbraw/zinc/47/06/80/586470680.db2.gz HNABJXRGRCFBTL-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN CC(C)CO[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808734452 586485659 /nfs/dbraw/zinc/48/56/59/586485659.db2.gz XUOOKKQXCSOLBQ-CYBMUJFWSA-N 0 1 241.375 2.349 20 0 BEADMN CC(C)C(=O)CC[N@@H+](C)Cc1cccc(O)c1 ZINC000808733387 586486198 /nfs/dbraw/zinc/48/61/98/586486198.db2.gz RHFOVISIVBAWGR-UHFFFAOYSA-N 0 1 235.327 2.439 20 0 BEADMN CC(C)C(=O)CCN(C)Cc1cccc(O)c1 ZINC000808733387 586486200 /nfs/dbraw/zinc/48/62/00/586486200.db2.gz RHFOVISIVBAWGR-UHFFFAOYSA-N 0 1 235.327 2.439 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000808753711 586487838 /nfs/dbraw/zinc/48/78/38/586487838.db2.gz AISLQQUGSSSCRF-FZMZJTMJSA-N 0 1 239.359 2.101 20 0 BEADMN C[C@H]1CN(CN(C)C2CC(C)(C)C2)C(=O)[C@H]1C ZINC000840163319 586501728 /nfs/dbraw/zinc/50/17/28/586501728.db2.gz HMISDDWHXWNVTF-QWRGUYRKSA-N 0 1 238.375 2.179 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCC1CC1 ZINC000809374268 586504858 /nfs/dbraw/zinc/50/48/58/586504858.db2.gz HZHKNAZPQAVKPX-GHMZBOCLSA-N 0 1 239.363 2.158 20 0 BEADMN C[C@H]1CC(C)(C)CN1CN1CCSC1=O ZINC000840182680 586509543 /nfs/dbraw/zinc/50/95/43/586509543.db2.gz IGRXRPMXZROBHD-VIFPVBQESA-N 0 1 228.361 2.233 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)C(C)(C)N1CCCC1 ZINC000859693001 589055380 /nfs/dbraw/zinc/05/53/80/589055380.db2.gz QTTJKLPWLJCJEJ-QWRGUYRKSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1ccccc1F ZINC000809744341 586516847 /nfs/dbraw/zinc/51/68/47/586516847.db2.gz GZZDZQVIUAGAEX-SECBINFHSA-N 0 1 249.289 2.238 20 0 BEADMN Cc1[nH]ncc1CNc1cccc2c1COC2=O ZINC000809790719 586520505 /nfs/dbraw/zinc/52/05/05/586520505.db2.gz DCQMCSLUADCWKV-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]2CCCC[C@H]12 ZINC000809935066 586523813 /nfs/dbraw/zinc/52/38/13/586523813.db2.gz HUNCYGNHMXLVBV-MRVWCRGKSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)n2)[C@@H]2CCCC[C@H]12 ZINC000809935066 586523815 /nfs/dbraw/zinc/52/38/15/586523815.db2.gz HUNCYGNHMXLVBV-MRVWCRGKSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000809948125 586525045 /nfs/dbraw/zinc/52/50/45/586525045.db2.gz VGQFPQMTPQNKAP-LBPRGKRZSA-N 0 1 236.363 2.073 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1Cc1cnn(C)n1 ZINC000809963832 586527015 /nfs/dbraw/zinc/52/70/15/586527015.db2.gz DAGSKIDLCDLWPS-YPMHNXCESA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)Cc1cnn(C)n1 ZINC000809995128 586529634 /nfs/dbraw/zinc/52/96/34/586529634.db2.gz DCCQBHWTWGTXPX-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cn[nH]c1CNc1cnn(CC(C)C)c1 ZINC000810150818 586535177 /nfs/dbraw/zinc/53/51/77/586535177.db2.gz MDUWXPAIQNZOAD-UHFFFAOYSA-N 0 1 233.319 2.183 20 0 BEADMN Cc1cc([C@@H](C)NC2CCC(C)(O)CC2)no1 ZINC000810221428 586536967 /nfs/dbraw/zinc/53/69/67/586536967.db2.gz GGVOARXOFMANQB-XSRFYTQQSA-N 0 1 238.331 2.327 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccccc2F)n[nH]1 ZINC000840196709 586537879 /nfs/dbraw/zinc/53/78/79/586537879.db2.gz OILOKDLBQVLRSK-ZETCQYMHSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccccc2F)n[nH]1 ZINC000840196708 586538122 /nfs/dbraw/zinc/53/81/22/586538122.db2.gz OILOKDLBQVLRSK-SSDOTTSWSA-N 0 1 249.245 2.170 20 0 BEADMN CC(C)COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810539783 586540631 /nfs/dbraw/zinc/54/06/31/586540631.db2.gz VUUDMRZUCXAKIZ-CYBMUJFWSA-N 0 1 245.338 2.398 20 0 BEADMN C[C@@H](Cc1nc(C2(N)CCCC2)no1)C1CC1 ZINC000842589779 586551310 /nfs/dbraw/zinc/55/13/10/586551310.db2.gz TXIHZAKUJVUJKZ-VIFPVBQESA-N 0 1 235.331 2.386 20 0 BEADMN CCC/C(C)=C/C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840218129 586551771 /nfs/dbraw/zinc/55/17/71/586551771.db2.gz IKTWQWANAQVXTA-FLOXNTQESA-N 0 1 237.303 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)c2ccco2)n[nH]1 ZINC000840231464 586560174 /nfs/dbraw/zinc/56/01/74/586560174.db2.gz DJQRBBDEKLVMDR-SFYZADRCSA-N 0 1 249.270 2.114 20 0 BEADMN Cc1nonc1CNC[C@H]1CC(C)=C[C@@H](C)C1 ZINC000811507265 586560280 /nfs/dbraw/zinc/56/02/80/586560280.db2.gz WQHPQEVUYGVQSK-BXKDBHETSA-N 0 1 235.331 2.460 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3ccoc3)C2)c1 ZINC000811519891 586560391 /nfs/dbraw/zinc/56/03/91/586560391.db2.gz FXCATZJCHWWQJU-ZDUSSCGKSA-N 0 1 231.299 2.232 20 0 BEADMN CC1(C)C(=O)N(CN2CCCCC2)[C@@H]1C1CC1 ZINC000811726861 586566453 /nfs/dbraw/zinc/56/64/53/586566453.db2.gz MXEMJSQQIYPLQU-GFCCVEGCSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@H]1CCCN1CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811753307 586566788 /nfs/dbraw/zinc/56/67/88/586566788.db2.gz RMIKVAWRKAZULT-JQWIXIFHSA-N 0 1 236.359 2.075 20 0 BEADMN Cc1nc(=NOCCOC(C)C)cc(Cl)[nH]1 ZINC000812489274 586577990 /nfs/dbraw/zinc/57/79/90/586577990.db2.gz WQTNZPQVVKRGNE-UHFFFAOYSA-N 0 1 245.710 2.207 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000840264887 586583586 /nfs/dbraw/zinc/58/35/86/586583586.db2.gz ZYNPRGXTSUGMQS-SNXWAXQRSA-N 0 1 249.314 2.154 20 0 BEADMN CCC1(C(=O)O[C@@H](C)c2n[nH]c(C)n2)CCC1 ZINC000840267641 586584192 /nfs/dbraw/zinc/58/41/92/586584192.db2.gz NANDECRSOIWXCD-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN O=C(NOC1CCC1)[C@H]1Cc2ccc(F)cc21 ZINC000812793989 586585965 /nfs/dbraw/zinc/58/59/65/586585965.db2.gz MDOANJZYIIXXDG-LBPRGKRZSA-N 0 1 235.258 2.066 20 0 BEADMN C[C@H](NCCc1ccccc1)c1cc(CO)on1 ZINC000813323444 586600211 /nfs/dbraw/zinc/60/02/11/586600211.db2.gz PJDSBWLRZXKONJ-NSHDSACASA-N 0 1 246.310 2.060 20 0 BEADMN CN(Cc1ncc[nH]1)CC1Cc2ccccc2C1 ZINC000813329095 586600518 /nfs/dbraw/zinc/60/05/18/586600518.db2.gz WPESKTKTSNAYJV-UHFFFAOYSA-N 0 1 241.338 2.257 20 0 BEADMN CCC/C=C\COC(=O)[C@@H](C(C)C)N(C)C ZINC000813907893 586609142 /nfs/dbraw/zinc/60/91/42/586609142.db2.gz UBTVGZWLDRPDKC-JLVNDZCYSA-N 0 1 227.348 2.472 20 0 BEADMN CN(C[C@@H]1CC=CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000814179685 586616002 /nfs/dbraw/zinc/61/60/02/586616002.db2.gz GGVHUMMAFWEPLU-VXGBXAGGSA-N 0 1 237.343 2.369 20 0 BEADMN CCc1ccc(CN2CCOCC[C@@H]2C)nc1 ZINC000815084764 586666070 /nfs/dbraw/zinc/66/60/70/586666070.db2.gz AURRSSDNNXSUCB-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@H](F)CCNCc1cn(-c2ccccc2)nn1 ZINC000815148953 586670433 /nfs/dbraw/zinc/67/04/33/586670433.db2.gz RRFCNCMFKOJTFS-NSHDSACASA-N 0 1 248.305 2.105 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2cccc(F)c2)[C@@H]1C ZINC000815163093 586671467 /nfs/dbraw/zinc/67/14/67/586671467.db2.gz HAPBGFMVAQBQQY-BREBYQMCSA-N 0 1 223.291 2.199 20 0 BEADMN CCCCCCNC(=O)CN1C[C@@H](C)[C@@H]1C ZINC000815162004 586671961 /nfs/dbraw/zinc/67/19/61/586671961.db2.gz GCSQXVCHHIIEQR-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)[C@H]1C ZINC000815164538 586672638 /nfs/dbraw/zinc/67/26/38/586672638.db2.gz XWPYXDOBNNZNLD-MNOVXSKESA-N 0 1 233.311 2.298 20 0 BEADMN O=C(OCCF)[C@H]1CCCCN1C1CCCC1 ZINC000815443740 586684631 /nfs/dbraw/zinc/68/46/31/586684631.db2.gz IOLHVFWHVYPNCT-GFCCVEGCSA-N 0 1 243.322 2.296 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C(C)(F)F)ccc12 ZINC000815916209 586697304 /nfs/dbraw/zinc/69/73/04/586697304.db2.gz ODUAELCPZIRPGH-UHFFFAOYSA-N 0 1 239.225 2.465 20 0 BEADMN Cc1c(Cl)cccc1C(=O)Nc1c[nH]nn1 ZINC000816318967 586717837 /nfs/dbraw/zinc/71/78/37/586717837.db2.gz JNPAZYSBXODXSC-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CC[C@@H](C(=O)OC[C@@H]1CC1(F)F)N(CC)CC ZINC000816416105 586726945 /nfs/dbraw/zinc/72/69/45/586726945.db2.gz KHMFOECQUCHLBP-UWVGGRQHSA-N 0 1 249.301 2.305 20 0 BEADMN CC(C)CN(C)Cc1cnn(C)c1Cl ZINC000816483864 586736214 /nfs/dbraw/zinc/73/62/14/586736214.db2.gz HZSMZNPPESYOPQ-UHFFFAOYSA-N 0 1 215.728 2.161 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cnn(C)c1Cl ZINC000816520038 586738026 /nfs/dbraw/zinc/73/80/26/586738026.db2.gz DPIZFRPOPHNLIR-IUCAKERBSA-N 0 1 227.739 2.446 20 0 BEADMN Cn1ncc(CN2CC[C@@H](C3CC3)C2)c1Cl ZINC000816516639 586738667 /nfs/dbraw/zinc/73/86/67/586738667.db2.gz LTNNKTFTMBXGIZ-SNVBAGLBSA-N 0 1 239.750 2.305 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810437 589062856 /nfs/dbraw/zinc/06/28/56/589062856.db2.gz OBVNWKWQCBEVDR-JQWIXIFHSA-N 0 1 231.311 2.167 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)oc1C ZINC000816637250 586746168 /nfs/dbraw/zinc/74/61/68/586746168.db2.gz XWHAXTQZPTVHEQ-LBPRGKRZSA-N 0 1 209.289 2.117 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000859810436 589062946 /nfs/dbraw/zinc/06/29/46/589062946.db2.gz OBVNWKWQCBEVDR-CMPLNLGQSA-N 0 1 231.311 2.167 20 0 BEADMN COc1cc(CN2C[C@@H](C)[C@H]2C)cc2c1OCO2 ZINC000816648314 586750525 /nfs/dbraw/zinc/75/05/25/586750525.db2.gz IRTADQGSCCTTCM-NXEZZACHSA-N 0 1 249.310 2.264 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(C)o1 ZINC000816653032 586753007 /nfs/dbraw/zinc/75/30/07/586753007.db2.gz CMEXDOYATSNLHN-PHIMTYICSA-N 0 1 236.359 2.421 20 0 BEADMN CC(F)(F)C(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000816716340 586759757 /nfs/dbraw/zinc/75/97/57/586759757.db2.gz IAIKUFUBRYDHGV-YFKPBYRVSA-N 0 1 231.164 2.099 20 0 BEADMN CC[C@@H](C)CONC(=O)c1cccc2cn[nH]c21 ZINC000816976450 586776117 /nfs/dbraw/zinc/77/61/17/586776117.db2.gz CYEQTDCWPLOGRP-SECBINFHSA-N 0 1 247.298 2.270 20 0 BEADMN CC[C@H](C)CONC(=O)c1ccc(O)c(F)c1 ZINC000816975548 586776408 /nfs/dbraw/zinc/77/64/08/586776408.db2.gz JYGPTFNBUOWSBV-QMMMGPOBSA-N 0 1 241.262 2.239 20 0 BEADMN CC[C@@H](C)CONC(=O)c1ccc2cncn2c1 ZINC000816978603 586777448 /nfs/dbraw/zinc/77/74/48/586777448.db2.gz XMFQZMWICXHBNI-SNVBAGLBSA-N 0 1 247.298 2.042 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCF ZINC000817279688 586792615 /nfs/dbraw/zinc/79/26/15/586792615.db2.gz SJHYSWNXZJXACZ-MNOVXSKESA-N 0 1 245.338 2.398 20 0 BEADMN O=C(Cc1cc2ccccc2o1)NOCC1CC1 ZINC000817349822 586798485 /nfs/dbraw/zinc/79/84/85/586798485.db2.gz IQDBLCOPGVYYNJ-UHFFFAOYSA-N 0 1 245.278 2.433 20 0 BEADMN CCC1(CC)CCN(CN2CC[C@@H](C)C2)C1=O ZINC000817360892 586799120 /nfs/dbraw/zinc/79/91/20/586799120.db2.gz VDJDBCUEZYCBKP-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN O=C(NOCCC1CC1)c1cccc2nc[nH]c21 ZINC000817416658 586802364 /nfs/dbraw/zinc/80/23/64/586802364.db2.gz PIVOHRXDDJJNJN-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN C[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccncc1Cl ZINC000817577296 586812343 /nfs/dbraw/zinc/81/23/43/586812343.db2.gz HOETUZAIPLYLNZ-NXEZZACHSA-N 0 1 239.750 2.090 20 0 BEADMN COC1([C@H](C)N[C@H]2CCn3ccnc32)CCCC1 ZINC000817584651 586812626 /nfs/dbraw/zinc/81/26/26/586812626.db2.gz FOEQJDXALFYIKV-RYUDHWBXSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](CN(C)[C@@H]1CCOC1=O)C1CCCCC1 ZINC000859864120 589067504 /nfs/dbraw/zinc/06/75/04/589067504.db2.gz MYWXNUYDHIXPSJ-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)C(=O)CCN1CCc2c(O)cccc2C1 ZINC000859945711 589072522 /nfs/dbraw/zinc/07/25/22/589072522.db2.gz AZMVICRECJBYEI-UHFFFAOYSA-N 0 1 247.338 2.366 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC[C@@H]2C(C)C)n1 ZINC000818344873 586886401 /nfs/dbraw/zinc/88/64/01/586886401.db2.gz HRFCCNGUIMDYAL-NEPJUHHUSA-N 0 1 236.363 2.131 20 0 BEADMN C/C(=C\C(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000818554235 586900246 /nfs/dbraw/zinc/90/02/46/586900246.db2.gz OXEMJLJZNHUATM-UFGRDIFHSA-N 0 1 238.375 2.188 20 0 BEADMN CCC(=CC(=O)N1CCN(C)C[C@@H]1CC)CC ZINC000818978660 586919393 /nfs/dbraw/zinc/91/93/93/586919393.db2.gz YASAWTWPJKZCGF-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN O[C@@H](CNc1ccc2cnccc2c1)C1CC1 ZINC000819489598 586969030 /nfs/dbraw/zinc/96/90/30/586969030.db2.gz BHXAOMKJEIQGRS-AWEZNQCLSA-N 0 1 228.295 2.418 20 0 BEADMN CCc1cc(CNc2ccc(Cl)nn2)n[nH]1 ZINC000819917887 587002523 /nfs/dbraw/zinc/00/25/23/587002523.db2.gz NYCNNUAJXKUWQE-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000820077143 587018486 /nfs/dbraw/zinc/01/84/86/587018486.db2.gz UOFNTZJKHCNUPW-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000820218104 587035942 /nfs/dbraw/zinc/03/59/42/587035942.db2.gz FTHGSLWAZIGORZ-VIFPVBQESA-N 0 1 245.282 2.253 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1C(=O)CN1CCCC1 ZINC000820252886 587038686 /nfs/dbraw/zinc/03/86/86/587038686.db2.gz JUUAGWDDJYBBQI-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](c1ccncc1)[N@@H+](C)CCCC(=O)[O-] ZINC000820285022 587041057 /nfs/dbraw/zinc/04/10/57/587041057.db2.gz LNTUTTIOKXLLAW-LBPRGKRZSA-N 0 1 236.315 2.329 20 0 BEADMN Cc1cc(CC(=O)O[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC000820435299 587048871 /nfs/dbraw/zinc/04/88/71/587048871.db2.gz PHOZLZSFQCXXMG-LLVKDONJSA-N 0 1 236.315 2.383 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1cc2ccccc2s1 ZINC000820569479 587055113 /nfs/dbraw/zinc/05/51/13/587055113.db2.gz RPXBEXZWAMXKRK-UHFFFAOYSA-N 0 1 235.308 2.418 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CCC1(C)CC1 ZINC000820722622 587068830 /nfs/dbraw/zinc/06/88/30/587068830.db2.gz ZIMHZFSLMVHAQX-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC1(CC)CCN(C(=O)CN2CCCC2)C1 ZINC000820751926 587070467 /nfs/dbraw/zinc/07/04/67/587070467.db2.gz SFKUHAVQCFMXCV-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cnnn1C)c1ccncc1 ZINC000820811400 587074102 /nfs/dbraw/zinc/07/41/02/587074102.db2.gz PTIDSPHFOYFPRW-CMPLNLGQSA-N 0 1 245.330 2.012 20 0 BEADMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)[O-])c1 ZINC000820865565 587078412 /nfs/dbraw/zinc/07/84/12/587078412.db2.gz RSVIQBZVERPZTR-ZWNOBZJWSA-N 0 1 249.310 2.163 20 0 BEADMN C[C@@H](NC(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC000821178998 587100186 /nfs/dbraw/zinc/10/01/86/587100186.db2.gz IFVNGZUFOIHQSY-ZCFIWIBFSA-N 0 1 241.237 2.199 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC000840446724 587103636 /nfs/dbraw/zinc/10/36/36/587103636.db2.gz TVORGLOLSXEKTO-IUCAKERBSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC000840446722 587103859 /nfs/dbraw/zinc/10/38/59/587103859.db2.gz TVORGLOLSXEKTO-BDAKNGLRSA-N 0 1 239.319 2.400 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000821511250 587124242 /nfs/dbraw/zinc/12/42/42/587124242.db2.gz DWGSLKTXQANDFE-UDSFMNFJSA-N 0 1 249.285 2.245 20 0 BEADMN CCCOC(=O)c1cc2[nH]cnc2cc1F ZINC000821620961 587132696 /nfs/dbraw/zinc/13/26/96/587132696.db2.gz BBPQJJCHKQTWCZ-UHFFFAOYSA-N 0 1 222.219 2.269 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCCC12CCC2 ZINC000822479099 587170584 /nfs/dbraw/zinc/17/05/84/587170584.db2.gz NIHQQRGFSDCPBR-LBPRGKRZSA-N 0 1 236.359 2.016 20 0 BEADMN COC1CC(N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000822497923 587171633 /nfs/dbraw/zinc/17/16/33/587171633.db2.gz OLUBXGOPHLTTPU-CLRIEMFWSA-N 0 1 235.302 2.391 20 0 BEADMN C[N@@H+](C[C@](C)(O)c1ccccc1)CC1(F)CC1 ZINC000822516341 587172760 /nfs/dbraw/zinc/17/27/60/587172760.db2.gz LODVFURNQNDKPT-ZDUSSCGKSA-N 0 1 237.318 2.328 20 0 BEADMN CN(C[C@](C)(O)c1ccccc1)CC1(F)CC1 ZINC000822516341 587172761 /nfs/dbraw/zinc/17/27/61/587172761.db2.gz LODVFURNQNDKPT-ZDUSSCGKSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C2CC2)ccn1 ZINC000823035950 587199275 /nfs/dbraw/zinc/19/92/75/587199275.db2.gz XXSWDTHUQWLDHQ-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CC1(C)CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000823202673 587208193 /nfs/dbraw/zinc/20/81/93/587208193.db2.gz LIGIUQLRKHNMHH-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@H]2CC)n[nH]1 ZINC000823286115 587213519 /nfs/dbraw/zinc/21/35/19/587213519.db2.gz BXGYTPPYQMSQCI-ZWNOBZJWSA-N 0 1 249.358 2.415 20 0 BEADMN CCn1nc(C)c(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000823379464 587218563 /nfs/dbraw/zinc/21/85/63/587218563.db2.gz KYYDIXOUCHHDES-QWRGUYRKSA-N 0 1 236.363 2.369 20 0 BEADMN CCn1nc(C)c(CN2CCCCCCC2)n1 ZINC000823382772 587218758 /nfs/dbraw/zinc/21/87/58/587218758.db2.gz UNPRQKRAUUWGHH-UHFFFAOYSA-N 0 1 236.363 2.373 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000823379497 587218983 /nfs/dbraw/zinc/21/89/83/587218983.db2.gz OUIHGROAMPHLLE-GHMZBOCLSA-N 0 1 236.363 2.084 20 0 BEADMN CCCN(Cc1nn(CC)nc1C)CC(C)C ZINC000823405121 587220259 /nfs/dbraw/zinc/22/02/59/587220259.db2.gz ZTEDHUWMFPMSPZ-UHFFFAOYSA-N 0 1 238.379 2.474 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)CC2(C)C)n1 ZINC000823458705 587223436 /nfs/dbraw/zinc/22/34/36/587223436.db2.gz DABDGZWVLKFQSU-SNVBAGLBSA-N 0 1 236.363 2.227 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nn(CC)nc1C ZINC000823458599 587223491 /nfs/dbraw/zinc/22/34/91/587223491.db2.gz AFKMQUJGWXMMIF-ZYHUDNBSSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000823459479 587224048 /nfs/dbraw/zinc/22/40/48/587224048.db2.gz UZMNYWARBVLTQC-MNOVXSKESA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H](C(C)C)C2)n1 ZINC000823481458 587225609 /nfs/dbraw/zinc/22/56/09/587225609.db2.gz APVHNONIVWIBHE-GFCCVEGCSA-N 0 1 236.363 2.084 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000823573691 587231596 /nfs/dbraw/zinc/23/15/96/587231596.db2.gz OUNGCONEOUSGEA-MFKMUULPSA-N 0 1 233.311 2.469 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000823766201 587239816 /nfs/dbraw/zinc/23/98/16/587239816.db2.gz JEQWXKPJKQZDHN-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)(C)C[C@@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000823767119 587240082 /nfs/dbraw/zinc/24/00/82/587240082.db2.gz ZZVFHKPEEUITGL-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H](C)C1CC1 ZINC000824051507 587251621 /nfs/dbraw/zinc/25/16/21/587251621.db2.gz XGQXALIORFDHLU-SECBINFHSA-N 0 1 235.331 2.113 20 0 BEADMN CC/C(C)=C/C(=O)N(C)Cc1cn[nH]c1C ZINC000824057801 587252746 /nfs/dbraw/zinc/25/27/46/587252746.db2.gz XBJZCMVKAIJLAJ-RMKNXTFCSA-N 0 1 221.304 2.033 20 0 BEADMN CC(C)OCCNCc1ccnc(Cl)c1F ZINC000824162723 587259037 /nfs/dbraw/zinc/25/90/37/587259037.db2.gz YWINRNYDECKHGF-UHFFFAOYSA-N 0 1 246.713 2.389 20 0 BEADMN CCn1nc(C)c(CN2CCCC[C@@H](C)C2)n1 ZINC000824195428 587259648 /nfs/dbraw/zinc/25/96/48/587259648.db2.gz FCLRLXVDQZKNHY-LLVKDONJSA-N 0 1 236.363 2.228 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nn(CC)nc1C ZINC000824195401 587259731 /nfs/dbraw/zinc/25/97/31/587259731.db2.gz DIVSULDKVZWPEK-GXFFZTMASA-N 0 1 236.363 2.227 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1ccnc(Cl)c1F ZINC000824249810 587262905 /nfs/dbraw/zinc/26/29/05/587262905.db2.gz CDXRFBQVHCEEFC-JGVFFNPUSA-N 0 1 246.713 2.387 20 0 BEADMN CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824256889 587263830 /nfs/dbraw/zinc/26/38/30/587263830.db2.gz JQLLGJMGCSQHKD-MNOVXSKESA-N 0 1 228.336 2.011 20 0 BEADMN C/C=C(/CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840486116 587265065 /nfs/dbraw/zinc/26/50/65/587265065.db2.gz GVENWUTUJHDBFX-VYVBZAQUSA-N 0 1 223.276 2.074 20 0 BEADMN CCN(Cc1nn(CC)nc1C)CC1CCC1 ZINC000824321376 587265846 /nfs/dbraw/zinc/26/58/46/587265846.db2.gz RBJXRHZMGWEHCG-UHFFFAOYSA-N 0 1 236.363 2.228 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H](C3CC3)C2)n1 ZINC000824403718 587269367 /nfs/dbraw/zinc/26/93/67/587269367.db2.gz ZMESSHZWQDGVAE-ZDUSSCGKSA-N 0 1 248.374 2.228 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000824625589 587279953 /nfs/dbraw/zinc/27/99/53/587279953.db2.gz KHWSKDPYSAEFKZ-NSHDSACASA-N 0 1 236.315 2.209 20 0 BEADMN C[C@@]1(CNCc2cc[nH]n2)CC1(Cl)Cl ZINC000824765507 587286489 /nfs/dbraw/zinc/28/64/89/587286489.db2.gz MNWRUVVILMBXOP-QMMMGPOBSA-N 0 1 234.130 2.083 20 0 BEADMN Cn1ncc(C2CC2)c1CN1CCC1(C)C ZINC000824823913 587288978 /nfs/dbraw/zinc/28/89/78/587288978.db2.gz GDDLJPHAYBPHOH-UHFFFAOYSA-N 0 1 219.332 2.282 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1cc(F)ncc1F ZINC000824903941 587292496 /nfs/dbraw/zinc/29/24/96/587292496.db2.gz QLUDVFUXPOKYLY-GHMZBOCLSA-N 0 1 242.269 2.017 20 0 BEADMN C[C@H](C(=O)NC1(C)CCC(C)(C)CC1)N(C)C ZINC000824982292 587296834 /nfs/dbraw/zinc/29/68/34/587296834.db2.gz NQOHKDBGNOLHRT-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CCc1nc(CN[C@H](C)C[C@@H]2CCOC2)co1 ZINC000825055837 587300689 /nfs/dbraw/zinc/30/06/89/587300689.db2.gz BJKPOSACMBOFHT-MNOVXSKESA-N 0 1 238.331 2.142 20 0 BEADMN CCc1nc(CN[C@H]2CCC[C@@H](OC)C2)co1 ZINC000825062376 587301466 /nfs/dbraw/zinc/30/14/66/587301466.db2.gz UBZNBKOJIGSSRQ-CMPLNLGQSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(CN[C@H]2CSC[C@H]2C)co1 ZINC000825062440 587301490 /nfs/dbraw/zinc/30/14/90/587301490.db2.gz WHQAMHUGEIZXOV-SCZZXKLOSA-N 0 1 226.345 2.078 20 0 BEADMN CCc1ncc(CNC[C@@H]2CCC=CO2)o1 ZINC000825079105 587302901 /nfs/dbraw/zinc/30/29/01/587302901.db2.gz LTDZBZPDOKDDAR-JTQLQIEISA-N 0 1 222.288 2.019 20 0 BEADMN CC(C)c1ncc(CN2CC[C@@H](O)[C@H]2C)s1 ZINC000825104249 587304437 /nfs/dbraw/zinc/30/44/37/587304437.db2.gz RXRHETPTZHXMAB-MWLCHTKSSA-N 0 1 240.372 2.222 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC1CCC1 ZINC000825195801 587309192 /nfs/dbraw/zinc/30/91/92/587309192.db2.gz WIJIVVJDIZGPSE-CMPLNLGQSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000825266267 587311590 /nfs/dbraw/zinc/31/15/90/587311590.db2.gz VAWWOUNTOYLUDJ-JQWIXIFHSA-N 0 1 240.347 2.155 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825282689 587312840 /nfs/dbraw/zinc/31/28/40/587312840.db2.gz WLEVZDYJVPHYNB-UHFFFAOYSA-N 0 1 249.318 2.082 20 0 BEADMN CCCC[N@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825282689 587312845 /nfs/dbraw/zinc/31/28/45/587312845.db2.gz WLEVZDYJVPHYNB-UHFFFAOYSA-N 0 1 249.318 2.082 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825282689 587312847 /nfs/dbraw/zinc/31/28/47/587312847.db2.gz WLEVZDYJVPHYNB-UHFFFAOYSA-N 0 1 249.318 2.082 20 0 BEADMN O=C(NCC1=CCCC1)c1cccc(F)c1O ZINC000825661470 587329815 /nfs/dbraw/zinc/32/98/15/587329815.db2.gz NPWHEXWYIIRCMX-UHFFFAOYSA-N 0 1 235.258 2.371 20 0 BEADMN C/C(=C\C[N@@H+](C1CC1)C1CCCC1)C(=O)[O-] ZINC000825729613 587334191 /nfs/dbraw/zinc/33/41/91/587334191.db2.gz IFEQNSCMGDBNAP-CSKARUKUSA-N 0 1 223.316 2.424 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729694 587334279 /nfs/dbraw/zinc/33/42/79/587334279.db2.gz KUJREZMTZQPUTB-HUYFXPKMSA-N 0 1 249.310 2.416 20 0 BEADMN C/C(=C\C[N@H+](C)C1Cc2ccccc2C1)C(=O)[O-] ZINC000825729151 587334396 /nfs/dbraw/zinc/33/43/96/587334396.db2.gz ATKXSIYNIVSXFN-YRNVUSSQSA-N 0 1 245.322 2.117 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825736460 587335657 /nfs/dbraw/zinc/33/56/57/587335657.db2.gz ZJNZZWDUMMEUNA-YLBKJLTLSA-N 0 1 231.295 2.464 20 0 BEADMN C/C(=C/C[N@@H+]1Cc2ccccc2C[C@@H]1C)C(=O)[O-] ZINC000825745656 587336657 /nfs/dbraw/zinc/33/66/57/587336657.db2.gz BXZCCYGHQXZAGA-RDQDRAATSA-N 0 1 245.322 2.464 20 0 BEADMN C[C@H]1C[C@@H](NC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825843489 587341247 /nfs/dbraw/zinc/34/12/47/587341247.db2.gz AHFVFEQPSWLWSQ-AAEUAGOBSA-N 0 1 248.326 2.307 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000826128033 587351183 /nfs/dbraw/zinc/35/11/83/587351183.db2.gz AICOJEXTJNDPPH-KIWPFMIBSA-N 0 1 238.375 2.141 20 0 BEADMN CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826837315 587363861 /nfs/dbraw/zinc/36/38/61/587363861.db2.gz XBGKFIZQYJKPGZ-QWRGUYRKSA-N 0 1 228.336 2.155 20 0 BEADMN Fc1cc(CN[C@@H]2C=CCC2)c(F)cn1 ZINC000826942173 587366354 /nfs/dbraw/zinc/36/63/54/587366354.db2.gz NQJUDSXAPRFIQG-SECBINFHSA-N 0 1 210.227 2.168 20 0 BEADMN CC1(CCC(=O)N2CCC[C@H]2c2nnc[nH]2)CC1 ZINC000826965661 587366857 /nfs/dbraw/zinc/36/68/57/587366857.db2.gz ZAEQAOQKEQRGGP-JTQLQIEISA-N 0 1 248.330 2.049 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC000827424755 587380919 /nfs/dbraw/zinc/38/09/19/587380919.db2.gz IQTQVMAKIDLFFH-WQAKAFBOSA-N 0 1 247.342 2.025 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC[S@@](C)=O ZINC000827477865 587382490 /nfs/dbraw/zinc/38/24/90/587382490.db2.gz IKIGBTQACBEUJN-MLGOLLRUSA-N 0 1 239.384 2.366 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827499964 587383549 /nfs/dbraw/zinc/38/35/49/587383549.db2.gz RZSQRPOZAITYDW-CYBMUJFWSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCC(=O)CC(C)C ZINC000827788804 587402758 /nfs/dbraw/zinc/40/27/58/587402758.db2.gz XJZVBMOGZFCKMH-QWHCGFSZSA-N 0 1 241.375 2.491 20 0 BEADMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000827890773 587408249 /nfs/dbraw/zinc/40/82/49/587408249.db2.gz SXCGUEWASHOLTL-JTQLQIEISA-N 0 1 228.336 2.107 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827951640 587412827 /nfs/dbraw/zinc/41/28/27/587412827.db2.gz ZGTFOCBVWSBXJA-GXFFZTMASA-N 0 1 237.274 2.246 20 0 BEADMN CO[C@@H]1CCN(CCc2c(F)cccc2F)C1 ZINC000827976496 587414412 /nfs/dbraw/zinc/41/44/12/587414412.db2.gz SBWRQOCQAJFCDZ-SNVBAGLBSA-N 0 1 241.281 2.228 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCC[C@@H]2CCOC2)n1 ZINC000828127213 587420043 /nfs/dbraw/zinc/42/00/43/587420043.db2.gz GWSBLQJMEPCTFH-OLZOCXBDSA-N 0 1 249.358 2.363 20 0 BEADMN C[N@@H+](CC1CCC1)CC(C)(C)CNC(=O)[O-] ZINC000828168270 587422974 /nfs/dbraw/zinc/42/29/74/587422974.db2.gz GMOBICYRCBSSKH-UHFFFAOYSA-N 0 1 228.336 2.012 20 0 BEADMN C[N@@H+](CCNC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000828329424 587434181 /nfs/dbraw/zinc/43/41/81/587434181.db2.gz FUIAJVQCTQYQOT-UHFFFAOYSA-N 0 1 242.706 2.039 20 0 BEADMN CC(C)CC(=O)CCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000828389081 587439421 /nfs/dbraw/zinc/43/94/21/587439421.db2.gz DPYXDBLGZUFQPU-AVGNSLFASA-N 0 1 241.375 2.489 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccccc1 ZINC000828594578 587452540 /nfs/dbraw/zinc/45/25/40/587452540.db2.gz DRPSJDOWZKISQB-NEPJUHHUSA-N 0 1 219.284 2.297 20 0 BEADMN CC/C(C)=C/C(=O)Nc1cc(N(C)C)ccn1 ZINC000829046629 587480605 /nfs/dbraw/zinc/48/06/05/587480605.db2.gz HNITVHACZPFQKM-CSKARUKUSA-N 0 1 233.315 2.442 20 0 BEADMN C[C@H]1CCC[C@@H](C2CN(C(=O)c3cnc[nH]3)C2)C1 ZINC000829129412 587484018 /nfs/dbraw/zinc/48/40/18/587484018.db2.gz IERBCPXAFIANLV-WDEREUQCSA-N 0 1 247.342 2.308 20 0 BEADMN C[C@H]1CCCN1C(=O)c1nc[nH]c1C(F)(F)F ZINC000829238183 587490004 /nfs/dbraw/zinc/49/00/04/587490004.db2.gz DZGWMSDKIPAXLY-LURJTMIESA-N 0 1 247.220 2.053 20 0 BEADMN CCC[N@@H+](C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000829459155 587498632 /nfs/dbraw/zinc/49/86/32/587498632.db2.gz TZHAUBVMPHOYCS-UHFFFAOYSA-N 0 1 247.298 2.034 20 0 BEADMN CN(CCCF)C(=O)c1cc(F)cc(F)c1O ZINC000829797528 587517334 /nfs/dbraw/zinc/51/73/34/587517334.db2.gz LIOMETWAIICCHL-UHFFFAOYSA-N 0 1 247.216 2.102 20 0 BEADMN FCCN1CCC[C@@H](c2ccncc2)C1 ZINC000829816453 587520236 /nfs/dbraw/zinc/52/02/36/587520236.db2.gz BRBAVAVSPLTEIJ-GFCCVEGCSA-N 0 1 208.280 2.231 20 0 BEADMN CC(C)N(CCc1cccs1)C1COC1 ZINC000830217794 587541678 /nfs/dbraw/zinc/54/16/78/587541678.db2.gz RLZBTHUBIUYMNZ-UHFFFAOYSA-N 0 1 225.357 2.400 20 0 BEADMN CCc1oc(C(=O)[O-])cc1Cn1cc[nH+]c1C ZINC000830398667 587549852 /nfs/dbraw/zinc/54/98/52/587549852.db2.gz RARRZLUVXXITIM-UHFFFAOYSA-N 0 1 234.255 2.093 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000830612074 587559787 /nfs/dbraw/zinc/55/97/87/587559787.db2.gz TUHPENYFFIVDGS-WDEREUQCSA-N 0 1 249.314 2.238 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C(C)(C)O)s1 ZINC000831014807 587582849 /nfs/dbraw/zinc/58/28/49/587582849.db2.gz DWFCZKVKUSJVFZ-SECBINFHSA-N 0 1 228.361 2.043 20 0 BEADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC000832234893 587651819 /nfs/dbraw/zinc/65/18/19/587651819.db2.gz NBJVQDJAKHQPJB-YOGCLGLASA-N 0 1 238.331 2.050 20 0 BEADMN O=C([O-])NCC[N@H+]1CCCC[C@H]1c1ccco1 ZINC000832641986 587672199 /nfs/dbraw/zinc/67/21/99/587672199.db2.gz RBGAGDFLFJIGES-JTQLQIEISA-N 0 1 238.287 2.074 20 0 BEADMN O=C([O-])NCC[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000832641987 587672460 /nfs/dbraw/zinc/67/24/60/587672460.db2.gz RBGAGDFLFJIGES-SNVBAGLBSA-N 0 1 238.287 2.074 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000832641585 587672472 /nfs/dbraw/zinc/67/24/72/587672472.db2.gz BFIFKMJXTAAGHW-ZDUSSCGKSA-N 0 1 238.331 2.076 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000833174172 587700835 /nfs/dbraw/zinc/70/08/35/587700835.db2.gz CBVJHYBLPRPRHM-BTKRWWFXSA-N 0 1 249.285 2.198 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CCCC2CCCC2)C1 ZINC000833174748 587700890 /nfs/dbraw/zinc/70/08/90/587700890.db2.gz JJYVEEFQLSWPQQ-ZDUSSCGKSA-N 0 1 243.322 2.455 20 0 BEADMN C/C(=C/C[N@H+]1CCc2cccc(F)c2C1)C(=O)[O-] ZINC000833382714 587711855 /nfs/dbraw/zinc/71/18/55/587711855.db2.gz LDZPUZWKBXZRQC-YHYXMXQVSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C/C[N@H+]1CCc2c(F)cccc2C1)C(=O)[O-] ZINC000833385165 587712609 /nfs/dbraw/zinc/71/26/09/587712609.db2.gz SYWXNJROCYFBHA-YHYXMXQVSA-N 0 1 249.285 2.215 20 0 BEADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])[nH]1)CC1CC1 ZINC000833496631 587717913 /nfs/dbraw/zinc/71/79/13/587717913.db2.gz MHIQAYZWMGNHGB-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000833576412 587720870 /nfs/dbraw/zinc/72/08/70/587720870.db2.gz JOYMGOTXIILASQ-ONGXEEELSA-N 0 1 241.331 2.110 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)C2CCCC2)O1 ZINC000833577006 587721158 /nfs/dbraw/zinc/72/11/58/587721158.db2.gz NYBAXVLLNJIWAN-NSHDSACASA-N 0 1 239.315 2.008 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000833582798 587721817 /nfs/dbraw/zinc/72/18/17/587721817.db2.gz FKHQWGDGDOQKHG-GXSJLCMTSA-N 0 1 239.315 2.008 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000833613506 587724117 /nfs/dbraw/zinc/72/41/17/587724117.db2.gz XTILSCNRPNSLTE-NQBHXWOUSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833612615 587724133 /nfs/dbraw/zinc/72/41/33/587724133.db2.gz AUUPPOJZBWNRDS-VHSXEESVSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833614409 587724160 /nfs/dbraw/zinc/72/41/60/587724160.db2.gz MCGHEMQSZFCWRM-JTQLQIEISA-N 0 1 236.315 2.335 20 0 BEADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])C2CC2)Cc2ccccc21 ZINC000833620647 587724874 /nfs/dbraw/zinc/72/48/74/587724874.db2.gz HLRURDNAGWZUBQ-IINYFYTJSA-N 0 1 245.322 2.469 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C(C1CC1)C1CC1 ZINC000833696864 587728588 /nfs/dbraw/zinc/72/85/88/587728588.db2.gz WMFJQTPEDPRHPE-UHFFFAOYSA-N 0 1 248.326 2.333 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@H]1CCc2ccccc21 ZINC000833772488 587730697 /nfs/dbraw/zinc/73/06/97/587730697.db2.gz YWFBLVPCAKGAGQ-TZMCWYRMSA-N 0 1 245.322 2.265 20 0 BEADMN C[C@H](CCNc1[nH]c2ccccc2[nH+]1)NC(=O)[O-] ZINC000833805914 587733323 /nfs/dbraw/zinc/73/33/23/587733323.db2.gz UHTGHKKCVABLQZ-MRVPVSSYSA-N 0 1 248.286 2.021 20 0 BEADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@@H]1C=CCCC1 ZINC000833833500 587735342 /nfs/dbraw/zinc/73/53/42/587735342.db2.gz YRBJSOSPWDHZOC-IJLUTSLNSA-N 0 1 238.331 2.073 20 0 BEADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC(C)(C)C ZINC000833835488 587735497 /nfs/dbraw/zinc/73/54/97/587735497.db2.gz ZWBGMAKUWPUIKZ-WDEREUQCSA-N 0 1 242.363 2.401 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(NC(=O)[O-])nc1 ZINC000833852765 587735736 /nfs/dbraw/zinc/73/57/36/587735736.db2.gz DTBFPTDDRZMOQZ-UHFFFAOYSA-N 0 1 223.276 2.013 20 0 BEADMN C[N@@H+](CC(C)(C)CNC(=O)[O-])C1CCCC1 ZINC000833870299 587737332 /nfs/dbraw/zinc/73/73/32/587737332.db2.gz IMCIRFDCZWBZRL-UHFFFAOYSA-N 0 1 228.336 2.155 20 0 BEADMN O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@H]1C1CC1 ZINC000834111821 587746063 /nfs/dbraw/zinc/74/60/63/587746063.db2.gz XDIGQPJWFFMEDE-RYUDHWBXSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])N1CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC000834109915 587746316 /nfs/dbraw/zinc/74/63/16/587746316.db2.gz MZEILDOLRLHYFW-LBPRGKRZSA-N 0 1 238.331 2.028 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000834222438 587749090 /nfs/dbraw/zinc/74/90/90/587749090.db2.gz YIJKTRXGTPXTKP-NWDGAFQWSA-N 0 1 238.331 2.075 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1nc[nH]c1C(F)(F)F ZINC000834768195 587766384 /nfs/dbraw/zinc/76/63/84/587766384.db2.gz HJZZKMLVNNQMDV-OLQVQODUSA-N 0 1 247.220 2.051 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1nc[nH]c1C(F)(F)F ZINC000834768197 587766472 /nfs/dbraw/zinc/76/64/72/587766472.db2.gz HJZZKMLVNNQMDV-PHDIDXHHSA-N 0 1 247.220 2.051 20 0 BEADMN CCc1nc(CN[C@H](C)[C@@]2(C)CCCO2)co1 ZINC000834900621 587770129 /nfs/dbraw/zinc/77/01/29/587770129.db2.gz WEABXWWADQMNJO-ZWNOBZJWSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(COC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000835291776 587794833 /nfs/dbraw/zinc/79/48/33/587794833.db2.gz RUJWVPHMXNAEHX-CYBMUJFWSA-N 0 1 249.314 2.157 20 0 BEADMN CS[C@H](C)CCOC(=O)[C@H](C(C)C)N(C)C ZINC000835665221 587810952 /nfs/dbraw/zinc/81/09/52/587810952.db2.gz DWTKUPABCVYANI-MNOVXSKESA-N 0 1 247.404 2.257 20 0 BEADMN CC[C@H](C(=O)OC[C@@H](C)SC)N(CC)CC ZINC000835685068 587812633 /nfs/dbraw/zinc/81/26/33/587812633.db2.gz IXJPQJNHRAPFHV-GHMZBOCLSA-N 0 1 247.404 2.402 20 0 BEADMN CC(C)[C@H](C(=O)OC1CC2(CC2)C1)N(C)C ZINC000835726766 587815776 /nfs/dbraw/zinc/81/57/76/587815776.db2.gz JRYBRSDFZRZCPU-LLVKDONJSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1ccc(F)c(CCNC(=O)C(F)(F)F)c1 ZINC000836915753 587842810 /nfs/dbraw/zinc/84/28/10/587842810.db2.gz MOIBRNDWXVEYFX-UHFFFAOYSA-N 0 1 249.207 2.355 20 0 BEADMN CO[C@H](C)CC(=O)Nc1ccc(F)c(F)c1O ZINC000837266296 587862468 /nfs/dbraw/zinc/86/24/68/587862468.db2.gz MMKZIVWBHNBZED-ZCFIWIBFSA-N 0 1 245.225 2.034 20 0 BEADMN CCn1ncc(-c2nc3cccc(C)c3[nH]2)n1 ZINC000840762016 587920336 /nfs/dbraw/zinc/92/03/36/587920336.db2.gz IUEZHNACGPACQE-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CC(C)[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CS1 ZINC000840996499 587933723 /nfs/dbraw/zinc/93/37/23/587933723.db2.gz VKUWVJMMURZWAO-GMTAPVOTSA-N 0 1 243.372 2.066 20 0 BEADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccnc1Cl ZINC000841759315 587974169 /nfs/dbraw/zinc/97/41/69/587974169.db2.gz MYWOQXAJQJIXHT-LNLATYFQSA-N 0 1 240.734 2.299 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000842165890 588005573 /nfs/dbraw/zinc/00/55/73/588005573.db2.gz GXJIUDWCYBIJNA-QJPTWQEYSA-N 0 1 227.348 2.162 20 0 BEADMN Cc1ccc([C@@H](C)c2nc(C3(N)CCC3)no2)o1 ZINC000842618543 588046339 /nfs/dbraw/zinc/04/63/39/588046339.db2.gz SHOBFDDLMCWCEW-SECBINFHSA-N 0 1 247.298 2.461 20 0 BEADMN Cc1cnc(-c2nc(C3(N)CCC3)no2)c(C)c1 ZINC000842617377 588046342 /nfs/dbraw/zinc/04/63/42/588046342.db2.gz LURVYYGPXRNIRZ-UHFFFAOYSA-N 0 1 244.298 2.086 20 0 BEADMN C[C@@H]1CN(CN(C)CCC(C)(C)C)C(=O)[C@H]1C ZINC000842630362 588046913 /nfs/dbraw/zinc/04/69/13/588046913.db2.gz CCWLPUZRGQRAJH-NEPJUHHUSA-N 0 1 240.391 2.426 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)cnc2Cl)CO1 ZINC000842708758 588055136 /nfs/dbraw/zinc/05/51/36/588055136.db2.gz FKBLOXWDWBZUPT-GMSGAONNSA-N 0 1 244.697 2.141 20 0 BEADMN O=C(OCc1c[nH]nn1)[C@H]1CCCC[C@H]1C1CC1 ZINC000842791485 588064024 /nfs/dbraw/zinc/06/40/24/588064024.db2.gz CZLOHMIYHBTKAZ-RYUDHWBXSA-N 0 1 249.314 2.064 20 0 BEADMN C/C=C(/C)COC(=O)CCCCc1cn[nH]n1 ZINC000842843128 588067695 /nfs/dbraw/zinc/06/76/95/588067695.db2.gz BTAVHWAJQGOAKK-KMKOMSMNSA-N 0 1 237.303 2.027 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ncc[nH]1 ZINC000842920729 588071826 /nfs/dbraw/zinc/07/18/26/588071826.db2.gz KXZLBOVYLSKOOT-GARJFASQSA-N 0 1 237.347 2.406 20 0 BEADMN Cc1ccc(O)c(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000843148294 588086551 /nfs/dbraw/zinc/08/65/51/588086551.db2.gz PCSWXJBOMJJGEI-NSHDSACASA-N 0 1 247.298 2.406 20 0 BEADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)c(O)c1 ZINC000843146780 588087070 /nfs/dbraw/zinc/08/70/70/588087070.db2.gz QRWBEFAKWMQEJY-NSHDSACASA-N 0 1 247.298 2.406 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2ccnn2C(C)C)n1 ZINC000843148740 588087282 /nfs/dbraw/zinc/08/72/82/588087282.db2.gz DDXTVFVFUBFRNF-JTQLQIEISA-N 0 1 249.318 2.170 20 0 BEADMN CS[C@@H](C)CCc1nc([C@H](N)C(C)C)no1 ZINC000843151719 588087632 /nfs/dbraw/zinc/08/76/32/588087632.db2.gz OZZRFISDOALXEV-WCBMZHEXSA-N 0 1 243.376 2.410 20 0 BEADMN CCNCc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000843178676 588090061 /nfs/dbraw/zinc/09/00/61/588090061.db2.gz WMDCXRMHYNRWRB-UHFFFAOYSA-N 0 1 247.298 2.163 20 0 BEADMN CNCc1nc(-c2cc(Cl)ccc2C)no1 ZINC000843187696 588091220 /nfs/dbraw/zinc/09/12/20/588091220.db2.gz SUIIOHKGTOITHT-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ccsn2)no1 ZINC000843237980 588095338 /nfs/dbraw/zinc/09/53/38/588095338.db2.gz JWHSCMWXJXRZRG-SSDOTTSWSA-N 0 1 238.316 2.254 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)OC(C)(C)C)n[nH]1 ZINC000867334949 588150344 /nfs/dbraw/zinc/15/03/44/588150344.db2.gz FKSDYQMNQHLHKI-MRVPVSSYSA-N 0 1 239.319 2.174 20 0 BEADMN CCCONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000844085721 588163873 /nfs/dbraw/zinc/16/38/73/588163873.db2.gz KCXRZXIHDRTHRY-LBPRGKRZSA-N 0 1 248.326 2.068 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1CCC(=O)C(C)C ZINC000844388057 588188588 /nfs/dbraw/zinc/18/85/88/588188588.db2.gz VPZVFCJHGBMQLS-GFCCVEGCSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)C(=O)CCN1C[C@H](C)OCC12CCC2 ZINC000844422964 588191963 /nfs/dbraw/zinc/19/19/63/588191963.db2.gz VDTNRRGSSIDJJR-LBPRGKRZSA-N 0 1 239.359 2.245 20 0 BEADMN CC/C=C(\C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844644327 588212122 /nfs/dbraw/zinc/21/21/22/588212122.db2.gz NFNJFWKPLXIYII-NFACVGDVSA-N 0 1 238.375 2.282 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)n1 ZINC000844839780 588218278 /nfs/dbraw/zinc/21/82/78/588218278.db2.gz VWHBWFOTORLZCE-VIFPVBQESA-N 0 1 242.706 2.030 20 0 BEADMN CCC(CC)c1noc(CC(F)(F)CN)n1 ZINC000844907899 588219058 /nfs/dbraw/zinc/21/90/58/588219058.db2.gz BYFCBUOPFKJUNU-UHFFFAOYSA-N 0 1 233.262 2.110 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845738438 588243124 /nfs/dbraw/zinc/24/31/24/588243124.db2.gz NXOOEPBTSMUTNT-MXWKQRLJSA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)(C)N1CC[C@H]1COC(=O)c1ccoc1 ZINC000845741747 588243548 /nfs/dbraw/zinc/24/35/48/588243548.db2.gz YCEOUGUMODIIOP-NSHDSACASA-N 0 1 237.299 2.309 20 0 BEADMN COc1ccsc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110602 588256960 /nfs/dbraw/zinc/25/69/60/588256960.db2.gz HYDXSEMUSPUWQZ-OCAPTIKFSA-N 0 1 245.294 2.454 20 0 BEADMN C/C(=C/C[N@@H+]1CC(C)(C)C[C@H]1C)C(=O)[O-] ZINC000846246580 588262611 /nfs/dbraw/zinc/26/26/11/588262611.db2.gz KITVIBJZSUNWHM-HYHWUIIZSA-N 0 1 211.305 2.138 20 0 BEADMN CC/C=C(\F)C(=O)NCCN1CC=C(C)CC1 ZINC000867417845 588264884 /nfs/dbraw/zinc/26/48/84/588264884.db2.gz LFJDRZARWCVEPH-QCDXTXTGSA-N 0 1 240.322 2.018 20 0 BEADMN CCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846793729 588288404 /nfs/dbraw/zinc/28/84/04/588288404.db2.gz MYKNBALJYXQQGQ-UHFFFAOYSA-N 0 1 202.660 2.326 20 0 BEADMN C[C@@H](O)CCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846804937 588289454 /nfs/dbraw/zinc/28/94/54/588289454.db2.gz BBFUMBXGDVUQDE-MRVPVSSYSA-N 0 1 246.713 2.077 20 0 BEADMN C[C@H]1COCCCN1CC1(Br)CC1 ZINC000846831647 588291499 /nfs/dbraw/zinc/29/14/99/588291499.db2.gz KJPIQIAEENCIRV-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN C[N@@H+](CC1(Br)CC1)[C@@H]1CCCOC1 ZINC000846901223 588296245 /nfs/dbraw/zinc/29/62/45/588296245.db2.gz MYUJHUWUMYVWSB-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN CN(CC1(Br)CC1)[C@@H]1CCCOC1 ZINC000846901223 588296246 /nfs/dbraw/zinc/29/62/46/588296246.db2.gz MYUJHUWUMYVWSB-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN CON1CCN(CC/C=C\c2ccccc2)CC1 ZINC000846975206 588299481 /nfs/dbraw/zinc/29/94/81/588299481.db2.gz MCTVIRNSTLSLGX-UITAMQMPSA-N 0 1 246.354 2.269 20 0 BEADMN CON1CCN([C@H](C)c2ccccc2C)CC1 ZINC000846978883 588300110 /nfs/dbraw/zinc/30/01/10/588300110.db2.gz ZWCOMAGPLRAFSZ-CYBMUJFWSA-N 0 1 234.343 2.235 20 0 BEADMN C[C@H](CCO)N(C)Cc1cnc(Cl)c(F)c1 ZINC000847012146 588301496 /nfs/dbraw/zinc/30/14/96/588301496.db2.gz HBFQODSZOLSQAR-MRVPVSSYSA-N 0 1 246.713 2.077 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCCCCC1 ZINC000847308212 588310710 /nfs/dbraw/zinc/31/07/10/588310710.db2.gz FRYULSJJALGLAL-LBPRGKRZSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1ccc(N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000847421637 588312642 /nfs/dbraw/zinc/31/26/42/588312642.db2.gz XHYNLENCPUZITO-CYBMUJFWSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc(N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC000847421638 588312669 /nfs/dbraw/zinc/31/26/69/588312669.db2.gz XHYNLENCPUZITO-ZDUSSCGKSA-N 0 1 246.354 2.300 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)C1=COCCC1 ZINC000848013146 588347271 /nfs/dbraw/zinc/34/72/71/588347271.db2.gz KPPMUAPAOQUORR-UHFFFAOYSA-N 0 1 248.282 2.025 20 0 BEADMN O=C(Cc1ccoc1)OCc1cc(C2CC2)[nH]n1 ZINC000848011375 588347357 /nfs/dbraw/zinc/34/73/57/588347357.db2.gz IKSWBYWIRRCENA-UHFFFAOYSA-N 0 1 246.266 2.166 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)C1CC=CC1 ZINC000848013445 588347416 /nfs/dbraw/zinc/34/74/16/588347416.db2.gz MTLNRWYXXWQFSU-UHFFFAOYSA-N 0 1 232.283 2.297 20 0 BEADMN CCCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015478 588347871 /nfs/dbraw/zinc/34/78/71/588347871.db2.gz MKJJXYKZFKTCBX-UHFFFAOYSA-N 0 1 208.261 2.130 20 0 BEADMN CSCCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015962 588348125 /nfs/dbraw/zinc/34/81/25/588348125.db2.gz YNEPFXXQIAUODE-UHFFFAOYSA-N 0 1 240.328 2.083 20 0 BEADMN CC(C(=O)N1CCN(C)C(C)(C)C1)=C1CCC1 ZINC000848035011 588349115 /nfs/dbraw/zinc/34/91/15/588349115.db2.gz IWLCHMYKMQUVEP-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000848621988 588402238 /nfs/dbraw/zinc/40/22/38/588402238.db2.gz QHVMFCBPIQYOBP-VIFPVBQESA-N 0 1 247.298 2.334 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(Cl)n2C)C1 ZINC000848889911 588417608 /nfs/dbraw/zinc/41/76/08/588417608.db2.gz NOFHJDSXWKGUPC-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN C[C@@H]1CCN(Cc2cnc(Cl)n2C)[C@@H]1C ZINC000848888320 588417729 /nfs/dbraw/zinc/41/77/29/588417729.db2.gz AAESESRJJRGIES-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN Cn1c(CN2CC[C@@H](C3CC3)C2)cnc1Cl ZINC000848889988 588418054 /nfs/dbraw/zinc/41/80/54/588418054.db2.gz PVMDQUOCSQCYKL-SNVBAGLBSA-N 0 1 239.750 2.305 20 0 BEADMN CSCCCN(C)Cc1cnc(Cl)n1C ZINC000848909488 588419607 /nfs/dbraw/zinc/41/96/07/588419607.db2.gz VEAUKFHMCGHWTO-UHFFFAOYSA-N 0 1 247.795 2.258 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])s1 ZINC000006710116 588452607 /nfs/dbraw/zinc/45/26/07/588452607.db2.gz CDUZGDSFUQUWFS-LLVKDONJSA-N 0 1 239.340 2.360 20 0 BEADMN CN(C)C(=O)[C@H](N[C@@H]1C=CCC1)c1ccccc1 ZINC000849323053 588472570 /nfs/dbraw/zinc/47/25/70/588472570.db2.gz MAZPMGCWNSAUFB-ZIAGYGMSSA-N 0 1 244.338 2.124 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CCC(C)C)n[nH]1 ZINC000849651169 588484492 /nfs/dbraw/zinc/48/44/92/588484492.db2.gz ATVBKHUHXOKYIN-SECBINFHSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2ccoc2C)n[nH]1 ZINC000849664274 588484769 /nfs/dbraw/zinc/48/47/69/588484769.db2.gz KUMBDPLALIWZQC-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2ccoc2C)n[nH]1 ZINC000849664275 588484875 /nfs/dbraw/zinc/48/48/75/588484875.db2.gz KUMBDPLALIWZQC-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN CCC[C@H](C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849694879 588486998 /nfs/dbraw/zinc/48/69/98/588486998.db2.gz OBAJOJAJIGJFSK-IUCAKERBSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@H](C)OC(=O)/C=C(\C)C2CC2)n[nH]1 ZINC000849704250 588487504 /nfs/dbraw/zinc/48/75/04/588487504.db2.gz FTXKPYFVTUTPKB-FLOXNTQESA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@H](C)OC(=O)/C=C(/C)C2CC2)n[nH]1 ZINC000849704251 588488008 /nfs/dbraw/zinc/48/80/08/588488008.db2.gz FTXKPYFVTUTPKB-FUOZMLNRSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C=C2CCC2)n[nH]1 ZINC000849741258 588492300 /nfs/dbraw/zinc/49/23/00/588492300.db2.gz JJRNBGTZWQAAAA-MRVPVSSYSA-N 0 1 235.287 2.082 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000849753438 588493718 /nfs/dbraw/zinc/49/37/18/588493718.db2.gz PENBMMIZSQRSQC-REIXXSIJSA-N 0 1 249.314 2.017 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000849753440 588493848 /nfs/dbraw/zinc/49/38/48/588493848.db2.gz PENBMMIZSQRSQC-WYOJIJJFSA-N 0 1 249.314 2.017 20 0 BEADMN CSC(C)(C)C(=O)OCCN1CCCCC1 ZINC000849987926 588512410 /nfs/dbraw/zinc/51/24/10/588512410.db2.gz BYINQYPZEZJXOV-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC000850070255 588517583 /nfs/dbraw/zinc/51/75/83/588517583.db2.gz SWHZWOLJQFXBRJ-APPZFPTMSA-N 0 1 237.303 2.154 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC000850070257 588517635 /nfs/dbraw/zinc/51/76/35/588517635.db2.gz SWHZWOLJQFXBRJ-IONNQARKSA-N 0 1 237.303 2.154 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2CC3(CC3)C2)n1 ZINC000850215873 588529886 /nfs/dbraw/zinc/52/98/86/588529886.db2.gz OGWGFNJGAVVNDK-UHFFFAOYSA-N 0 1 249.314 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)C2CC3(CC3)C2)n[nH]1 ZINC000850215873 588529887 /nfs/dbraw/zinc/52/98/87/588529887.db2.gz OGWGFNJGAVVNDK-UHFFFAOYSA-N 0 1 249.314 2.162 20 0 BEADMN COc1cncc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000850326894 588537004 /nfs/dbraw/zinc/53/70/04/588537004.db2.gz WESKVHDIMYQVBY-CHWSQXEVSA-N 0 1 238.306 2.461 20 0 BEADMN C1=C[C@@H](NCc2cc3n(n2)CCCC3)CC1 ZINC000850359618 588539685 /nfs/dbraw/zinc/53/96/85/588539685.db2.gz MIXNIZANRCVRKO-LLVKDONJSA-N 0 1 217.316 2.028 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccncc2)c2ccccc21 ZINC000850369395 588541124 /nfs/dbraw/zinc/54/11/24/588541124.db2.gz JHMMCTOTUULFGH-CABCVRRESA-N 0 1 240.306 2.350 20 0 BEADMN O[C@@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000850370517 588541217 /nfs/dbraw/zinc/54/12/17/588541217.db2.gz QHVNCTOARIVWLQ-LSDHHAIUSA-N 0 1 240.306 2.350 20 0 BEADMN C[C@@H](NCc1ccon1)C(C)(C)C(F)F ZINC000850439694 588546548 /nfs/dbraw/zinc/54/65/48/588546548.db2.gz QZRBHIWNDZRUKX-SSDOTTSWSA-N 0 1 218.247 2.444 20 0 BEADMN C[C@H](N[C@@H]1C=CCC1)c1cc2n(n1)CCC2 ZINC000850507567 588553137 /nfs/dbraw/zinc/55/31/37/588553137.db2.gz JXKNPKWHTBOGSW-WDEREUQCSA-N 0 1 217.316 2.199 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2C=CCC2)nn1C ZINC000850506519 588553211 /nfs/dbraw/zinc/55/32/11/588553211.db2.gz FIGIAUVUKZGXDF-QWRGUYRKSA-N 0 1 205.305 2.098 20 0 BEADMN CC[C@H](N[C@@H]1COC2(CCC2)C1)c1nccn1C ZINC000850526818 588557346 /nfs/dbraw/zinc/55/73/46/588557346.db2.gz XBBYSVJOOCBXKG-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H](NCc1ncccn1)C(C)(C)C(F)F ZINC000850552123 588559967 /nfs/dbraw/zinc/55/99/67/588559967.db2.gz LRBYOPRSYWFWFO-MRVPVSSYSA-N 0 1 229.274 2.246 20 0 BEADMN CCCN[C@H](C)c1nc(Cc2ccccn2)no1 ZINC000109499618 588563744 /nfs/dbraw/zinc/56/37/44/588563744.db2.gz OXFQDYQBMSHXAG-SNVBAGLBSA-N 0 1 246.314 2.116 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000851224267 588597387 /nfs/dbraw/zinc/59/73/87/588597387.db2.gz ZHUJVEMCQGQBCQ-RNJOBUHISA-N 0 1 239.359 2.162 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000851224270 588597404 /nfs/dbraw/zinc/59/74/04/588597404.db2.gz ZHUJVEMCQGQBCQ-YVECIDJPSA-N 0 1 239.359 2.162 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1CCC1(F)F)N(C)C ZINC000851319833 588601357 /nfs/dbraw/zinc/60/13/57/588601357.db2.gz PLFQPUHFFBWAGT-VHSXEESVSA-N 0 1 249.301 2.161 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000851417464 588604358 /nfs/dbraw/zinc/60/43/58/588604358.db2.gz ZHUJVEMCQGQBCQ-FVCCEPFGSA-N 0 1 239.359 2.162 20 0 BEADMN CC[C@H](c1ccccc1)[N@H+](CCF)CC(=O)[O-] ZINC000851706932 588615043 /nfs/dbraw/zinc/61/50/43/588615043.db2.gz MUFZJSJIHAUVTE-GFCCVEGCSA-N 0 1 239.290 2.494 20 0 BEADMN CC[C@H](c1ccccc1)[N@@H+](CCF)CC(=O)[O-] ZINC000851706932 588615044 /nfs/dbraw/zinc/61/50/44/588615044.db2.gz MUFZJSJIHAUVTE-GFCCVEGCSA-N 0 1 239.290 2.494 20 0 BEADMN Fc1cccc(CN2C3CCC2CC3)n1 ZINC000851724772 588617552 /nfs/dbraw/zinc/61/75/52/588617552.db2.gz HWZSWJNSWUMGJG-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN C[C@H]1CCC[C@H](N(C)Cc2cnon2)C1 ZINC000851727422 588618423 /nfs/dbraw/zinc/61/84/23/588618423.db2.gz MQQCKLJVUWZUBC-ONGXEEELSA-N 0 1 209.293 2.080 20 0 BEADMN CCN(CC(=O)NC)Cc1cccc(C(C)C)c1 ZINC000851733532 588620152 /nfs/dbraw/zinc/62/01/52/588620152.db2.gz YOMBEOWFZYLSBU-UHFFFAOYSA-N 0 1 248.370 2.378 20 0 BEADMN Cc1occc1CN(C)C[C@H](O)c1ccccn1 ZINC000851736269 588620468 /nfs/dbraw/zinc/62/04/68/588620468.db2.gz OOQGSVKJQOIDLP-AWEZNQCLSA-N 0 1 246.310 2.148 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@@H](O)c1ccccn1 ZINC000851738452 588620705 /nfs/dbraw/zinc/62/07/05/588620705.db2.gz HGDVQSUYQSFDQQ-WCQYABFASA-N 0 1 246.310 2.401 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@@H](O)c1ccccn1 ZINC000851738451 588620865 /nfs/dbraw/zinc/62/08/65/588620865.db2.gz HGDVQSUYQSFDQQ-DGCLKSJQSA-N 0 1 246.310 2.401 20 0 BEADMN CC1(C)CN(Cc2cccc(F)n2)CCCO1 ZINC000851776035 588626623 /nfs/dbraw/zinc/62/66/23/588626623.db2.gz DFCJEPYLLXLGLV-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN FC(F)OCCN1CCC[C@@H]1c1ccccn1 ZINC000851802552 588630520 /nfs/dbraw/zinc/63/05/20/588630520.db2.gz JDRZBEKRWMERBY-LLVKDONJSA-N 0 1 242.269 2.458 20 0 BEADMN FC(F)OCCN1CCC[C@H]1c1ccc[nH]1 ZINC000851824538 588633666 /nfs/dbraw/zinc/63/36/66/588633666.db2.gz VOGAPEZWPYPSCZ-JTQLQIEISA-N 0 1 230.258 2.391 20 0 BEADMN FC(F)OCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000851824539 588633840 /nfs/dbraw/zinc/63/38/40/588633840.db2.gz VOGAPEZWPYPSCZ-SNVBAGLBSA-N 0 1 230.258 2.391 20 0 BEADMN CO[C@H](CN1CCC[C@@H]1c1ncc[nH]1)C1CCC1 ZINC000851887943 588640700 /nfs/dbraw/zinc/64/07/00/588640700.db2.gz YFDNFKMRYKBQQH-CHWSQXEVSA-N 0 1 249.358 2.362 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C[C@@H]1F ZINC000851909377 588642419 /nfs/dbraw/zinc/64/24/19/588642419.db2.gz CZVPZUBSYMNDHX-UTUOFQBUSA-N 0 1 245.338 2.208 20 0 BEADMN c1nonc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000851907568 588642492 /nfs/dbraw/zinc/64/24/92/588642492.db2.gz FPVGMFDOZRCCOR-AWEZNQCLSA-N 0 1 243.310 2.181 20 0 BEADMN C[C@H](c1ccccc1)[C@H](C)NCc1cnon1 ZINC000851909191 588642513 /nfs/dbraw/zinc/64/25/13/588642513.db2.gz YKQOKZJSMGNGGX-QWRGUYRKSA-N 0 1 231.299 2.351 20 0 BEADMN CC(C)N(Cc1cccc(F)n1)[C@@H]1CCOC1 ZINC000852070101 588659589 /nfs/dbraw/zinc/65/95/89/588659589.db2.gz OFCBJBPNVWDBKI-GFCCVEGCSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1ccoc1CN(C)CCOC(F)F ZINC000852077415 588660345 /nfs/dbraw/zinc/66/03/45/588660345.db2.gz UNLLBQZNGWZLHX-UHFFFAOYSA-N 0 1 219.231 2.259 20 0 BEADMN CCN(Cc1occc1C)C[C@@H]1CCC(=O)O1 ZINC000852176016 588669857 /nfs/dbraw/zinc/66/98/57/588669857.db2.gz PUXPPODHBDCCKX-NSHDSACASA-N 0 1 237.299 2.116 20 0 BEADMN CC(C)C(=O)CCN1CCO[C@@](C)(C2CC2)C1 ZINC000852322549 588678336 /nfs/dbraw/zinc/67/83/36/588678336.db2.gz MFZPGUOHTUOUOF-CQSZACIVSA-N 0 1 239.359 2.103 20 0 BEADMN OC[C@H](NCc1csc(Cl)n1)C1CCC1 ZINC000852321250 588678405 /nfs/dbraw/zinc/67/84/05/588678405.db2.gz SQBVNJUQIKTIRD-VIFPVBQESA-N 0 1 246.763 2.047 20 0 BEADMN O=C1OCC[C@@H]1[N@H+]1CCCC2(CCCC2)CC1 ZINC000852354993 588679440 /nfs/dbraw/zinc/67/94/40/588679440.db2.gz YYXIPRDUZGSFQR-LBPRGKRZSA-N 0 1 237.343 2.348 20 0 BEADMN O=C1OCC[C@@H]1N1CCCC2(CCCC2)CC1 ZINC000852354993 588679441 /nfs/dbraw/zinc/67/94/41/588679441.db2.gz YYXIPRDUZGSFQR-LBPRGKRZSA-N 0 1 237.343 2.348 20 0 BEADMN COCCN(CCF)C[C@@H](OC)C1CCCC1 ZINC000852480005 588683931 /nfs/dbraw/zinc/68/39/31/588683931.db2.gz LZRQTIKEINHXRZ-CYBMUJFWSA-N 0 1 247.354 2.110 20 0 BEADMN CCC(=O)CCN1CC2(CCCC2)OC[C@H]1C ZINC000852635340 588693197 /nfs/dbraw/zinc/69/31/97/588693197.db2.gz FPXRZWQPNLFKGM-GFCCVEGCSA-N 0 1 239.359 2.389 20 0 BEADMN Fc1ccc(CN2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000852636189 588693552 /nfs/dbraw/zinc/69/35/52/588693552.db2.gz PSUXNYUFRBIICO-NXEZZACHSA-N 0 1 206.264 2.063 20 0 BEADMN FC(F)OCCN1CCC(c2ccon2)CC1 ZINC000852672543 588695215 /nfs/dbraw/zinc/69/52/15/588695215.db2.gz FTPNFUFFAHSNHL-UHFFFAOYSA-N 0 1 246.257 2.093 20 0 BEADMN CCN(CCF)CCOc1ccccc1OC ZINC000852727498 588697948 /nfs/dbraw/zinc/69/79/48/588697948.db2.gz LWZMCXFPLAITQK-UHFFFAOYSA-N 0 1 241.306 2.365 20 0 BEADMN CC[N@@H+](Cc1cccc(Cl)n1)[C@H](C)C(=O)[O-] ZINC000852733973 588698245 /nfs/dbraw/zinc/69/82/45/588698245.db2.gz BYKUHIMBBBXPNB-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CC[N@@H+](Cc1cccnc1Cl)[C@H](C)C(=O)[O-] ZINC000852729937 588698669 /nfs/dbraw/zinc/69/86/69/588698669.db2.gz LZNCBHWHCQDNHF-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CC1(C)C[C@@]1(NCC1OCCO1)c1ccccc1 ZINC000852773376 588701599 /nfs/dbraw/zinc/70/15/99/588701599.db2.gz XGRIUIGANTVMPB-OAHLLOKOSA-N 0 1 247.338 2.274 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000852786726 588702499 /nfs/dbraw/zinc/70/24/99/588702499.db2.gz ZUMMWFIAFACPRZ-XSRFYTQQSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H]1CCC[C@H](C(=O)OCCN2CCC2)C1 ZINC000861388450 589162209 /nfs/dbraw/zinc/16/22/09/589162209.db2.gz VBRSSJOFQFMYPD-RYUDHWBXSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@@H]1CC[C@@H](CC(=O)OCCN2CCC2)C1 ZINC000861388620 589162924 /nfs/dbraw/zinc/16/29/24/589162924.db2.gz VTENPVYZZQOFIX-VXGBXAGGSA-N 0 1 225.332 2.062 20 0 BEADMN CC1(C)CCC[C@H](C(=O)OCCN2CCC2)C1 ZINC000861388995 589163155 /nfs/dbraw/zinc/16/31/55/589163155.db2.gz UWGDWMFFPHLKNF-LBPRGKRZSA-N 0 1 239.359 2.452 20 0 BEADMN CC1=CC[C@@](C)(C(=O)OCCN2CCC2)CC1 ZINC000861389883 589163356 /nfs/dbraw/zinc/16/33/56/589163356.db2.gz BLCOMTZEDIYWFF-CQSZACIVSA-N 0 1 237.343 2.372 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)OCCN2CCC2)C[C@H]1C ZINC000861390777 589164188 /nfs/dbraw/zinc/16/41/88/589164188.db2.gz LNQFIUXXTFGJKT-UPJWGTAASA-N 0 1 239.359 2.308 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861390348 589164333 /nfs/dbraw/zinc/16/43/33/589164333.db2.gz DQIHNKMZGPWHHN-OLZOCXBDSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@@H](CC(=O)OCCN1CCC1)c1ccco1 ZINC000861390204 589164341 /nfs/dbraw/zinc/16/43/41/589164341.db2.gz LECRXAWKZULHJO-NSHDSACASA-N 0 1 237.299 2.022 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861390350 589164397 /nfs/dbraw/zinc/16/43/97/589164397.db2.gz DQIHNKMZGPWHHN-STQMWFEESA-N 0 1 239.359 2.452 20 0 BEADMN CC(C)(CC(=O)OCCN1CCC1)C1CC1 ZINC000861391627 589164913 /nfs/dbraw/zinc/16/49/13/589164913.db2.gz VQLGBPNPYRTNAV-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@H](C)CCC(=O)OCCN1CCC1 ZINC000861392654 589164956 /nfs/dbraw/zinc/16/49/56/589164956.db2.gz VUJLIERRFLWPKW-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN CCS(=O)(=O)CCN(C)C1CCCCCC1 ZINC000118391854 589169765 /nfs/dbraw/zinc/16/97/65/589169765.db2.gz LZUBFJBMRNYYPT-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCc2nc[nH]c2C1 ZINC000861761347 589176880 /nfs/dbraw/zinc/17/68/80/589176880.db2.gz DDCWPINVLUBENO-MDZDMXLPSA-N 0 1 233.315 2.041 20 0 BEADMN Cc1c(CN2CCCOC[C@@H]2C)ccnc1F ZINC000862246634 589197109 /nfs/dbraw/zinc/19/71/09/589197109.db2.gz LOZVEPUOINCSGI-JTQLQIEISA-N 0 1 238.306 2.140 20 0 BEADMN Cc1c(CN(C)[C@H]2CCCOC2)ccnc1F ZINC000862363947 589204074 /nfs/dbraw/zinc/20/40/74/589204074.db2.gz XNWALYSRYNNRGD-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Fc1cc(CN2CC[C@H]2C2CC2)ccn1 ZINC000862384521 589206939 /nfs/dbraw/zinc/20/69/39/589206939.db2.gz BSXIWJRFCGXOCB-NSHDSACASA-N 0 1 206.264 2.205 20 0 BEADMN CCn1nccc1CNCc1ccnc(F)c1C ZINC000862420812 589211970 /nfs/dbraw/zinc/21/19/70/589211970.db2.gz XBNUADRSHGGDNQ-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CC[C@H]1C[C@@H](CN2CC3(C2)CCCO3)CCO1 ZINC000862484668 589217216 /nfs/dbraw/zinc/21/72/16/589217216.db2.gz YPDBBMVVZVAIIT-STQMWFEESA-N 0 1 239.359 2.056 20 0 BEADMN CCOC(=O)C1=CC[C@H](NCc2occc2C)C1 ZINC000862489000 589217503 /nfs/dbraw/zinc/21/75/03/589217503.db2.gz WQVQTVOCNAFSBS-LBPRGKRZSA-N 0 1 249.310 2.330 20 0 BEADMN CCCCN1C(=O)N=NC1SCOCCC ZINC000863260471 589275340 /nfs/dbraw/zinc/27/53/40/589275340.db2.gz ZTUXQVVUQBDHAI-UHFFFAOYSA-N 0 1 245.348 2.260 20 0 BEADMN C[C@@H]1C[C@@H]1CON=C(N)CN1CCCC[C@@H]1C ZINC000863456445 589289625 /nfs/dbraw/zinc/28/96/25/589289625.db2.gz AHYKBBRQWTWWNR-GRYCIOLGSA-N 0 1 239.363 2.015 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000864072044 589339175 /nfs/dbraw/zinc/33/91/75/589339175.db2.gz MCYBBGXJCYLGQM-HZMBPMFUSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@]12C[C@H]1CCCC2 ZINC000864081111 589341434 /nfs/dbraw/zinc/34/14/34/589341434.db2.gz RONOLNZSUCAQHF-WDMOLILDSA-N 0 1 247.342 2.037 20 0 BEADMN CCN1[C@H](C)CN(C(=O)/C=C(/C)Cl)C[C@@H]1C ZINC000864083175 589342206 /nfs/dbraw/zinc/34/22/06/589342206.db2.gz ALOSLVFUHUDFQF-AEYNQVNKSA-N 0 1 244.766 2.070 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)CC1CC1 ZINC000119936385 589348371 /nfs/dbraw/zinc/34/83/71/589348371.db2.gz PWKLFUUTEOOJLQ-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)(NC(=O)C(F)(F)F)[C@H]1CCCCO1 ZINC000864494062 589375083 /nfs/dbraw/zinc/37/50/83/589375083.db2.gz SWBXQNDUZVMTAG-SSDOTTSWSA-N 0 1 239.237 2.013 20 0 BEADMN CC[C@H](COC)NCc1cccnc1Cl ZINC000120202019 589392728 /nfs/dbraw/zinc/39/27/28/589392728.db2.gz IMOOGVRMOQEAQD-SNVBAGLBSA-N 0 1 228.723 2.250 20 0 BEADMN CCC[C@@H](O)CCCSCCc1c[nH]nn1 ZINC000865379321 589429638 /nfs/dbraw/zinc/42/96/38/589429638.db2.gz PPJAWUDOXBEUCA-LLVKDONJSA-N 0 1 243.376 2.022 20 0 BEADMN CCc1csc(SCc2n[nH]c(C)n2)n1 ZINC000865387177 589430682 /nfs/dbraw/zinc/43/06/82/589430682.db2.gz ZMYUGHBTDFVLQB-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN C[C@H](CCO)NCc1c(Cl)cncc1Cl ZINC000865471502 589438994 /nfs/dbraw/zinc/43/89/94/589438994.db2.gz RECPNHBYLUCTEY-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN C[C@@H](CCO)NCc1c(Cl)cncc1Cl ZINC000865471503 589438934 /nfs/dbraw/zinc/43/89/34/589438934.db2.gz RECPNHBYLUCTEY-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN CCc1cc(CNc2cccc(C(C)=O)n2)n[nH]1 ZINC000865536982 589444355 /nfs/dbraw/zinc/44/43/55/589444355.db2.gz SFVNCDXOYDLRCM-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN C[C@@]1(O)CCN(c2ccncc2C(F)(F)F)C1 ZINC000865583726 589449476 /nfs/dbraw/zinc/44/94/76/589449476.db2.gz USSRYHPVICTTQG-SNVBAGLBSA-N 0 1 246.232 2.062 20 0 BEADMN CO[C@H]([C@H](C)NCc1cn(C2CC2)cn1)C1CC1 ZINC000865595021 589449695 /nfs/dbraw/zinc/44/96/95/589449695.db2.gz YCMYLLDKAUDWCL-IINYFYTJSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H](CCCO)Nc1ccncc1C(F)(F)F ZINC000865605988 589450510 /nfs/dbraw/zinc/45/05/10/589450510.db2.gz LYCYCMQGVVXBJO-MRVPVSSYSA-N 0 1 248.248 2.095 20 0 BEADMN C[C@@H]1C[C@H](NCc2cn(C3CC3)cn2)CS1 ZINC000865602888 589450687 /nfs/dbraw/zinc/45/06/87/589450687.db2.gz UHQRNRRDXYZXAS-ZJUUUORDSA-N 0 1 237.372 2.202 20 0 BEADMN CC[C@@H](O)CNCc1c(Cl)cncc1Cl ZINC000865625910 589452276 /nfs/dbraw/zinc/45/22/76/589452276.db2.gz CUQZDKBIZHHGKV-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN C[C@@H]1CCC[C@@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865628097 589452470 /nfs/dbraw/zinc/45/24/70/589452470.db2.gz QGXFTQSSIMFYQR-RISCZKNCSA-N 0 1 249.358 2.265 20 0 BEADMN C=Cn1cc(CN[C@H]2CCCC[C@H]2F)cn1 ZINC000865698794 589457329 /nfs/dbraw/zinc/45/73/29/589457329.db2.gz HYQNKMBMTBXXRH-NEPJUHHUSA-N 0 1 223.295 2.354 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@@H]1F ZINC000865699699 589457520 /nfs/dbraw/zinc/45/75/20/589457520.db2.gz ZHAWWDAHFSUIEA-QWHCGFSZSA-N 0 1 239.338 2.407 20 0 BEADMN CC(C)(NCc1cocn1)[C@@H]1CCCCO1 ZINC000865743802 589460350 /nfs/dbraw/zinc/46/03/50/589460350.db2.gz IOZUQVFDVLSESK-NSHDSACASA-N 0 1 224.304 2.112 20 0 BEADMN CCn1nc(C)c(CNCCCCC2CC2)n1 ZINC000865786940 589461935 /nfs/dbraw/zinc/46/19/35/589461935.db2.gz VEVXCZNNSKPRII-UHFFFAOYSA-N 0 1 236.363 2.276 20 0 BEADMN Cc1nc(F)ccc1CN[C@H](C)c1ccnn1C ZINC000865837836 589464101 /nfs/dbraw/zinc/46/41/01/589464101.db2.gz BZTMCBIFYSLTMG-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccncc2C(F)(F)F)CO1 ZINC000865902274 589467943 /nfs/dbraw/zinc/46/79/43/589467943.db2.gz SLXQGBKXXLSIHL-SFYZADRCSA-N 0 1 246.232 2.112 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnn(C)c2)c(C)o1 ZINC000120938707 589478716 /nfs/dbraw/zinc/47/87/16/589478716.db2.gz GTWSXNQNOXIDRG-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN C[C@H]1COCCN1CCc1cccs1 ZINC000120952217 589479136 /nfs/dbraw/zinc/47/91/36/589479136.db2.gz BGNGUUPOYYIFJD-JTQLQIEISA-N 0 1 211.330 2.011 20 0 BEADMN F[C@@H]1COc2ccccc2[C@@H]1NCC1CC1 ZINC000866226964 589481586 /nfs/dbraw/zinc/48/15/86/589481586.db2.gz WADYOMOCOSPBMU-YPMHNXCESA-N 0 1 221.275 2.458 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)no1 ZINC000866443962 589492593 /nfs/dbraw/zinc/49/25/93/589492593.db2.gz BODAPSNZHHLFAD-UCZLSJFXSA-N 0 1 248.326 2.057 20 0 BEADMN C[C@H](CCO)N[C@H](CF)c1ccc(F)cc1 ZINC000866597088 589502578 /nfs/dbraw/zinc/50/25/78/589502578.db2.gz XYZBGLITBOUVFP-BXKDBHETSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@H](CCO)N[C@@H](CF)c1ccc(F)cc1 ZINC000866597097 589502913 /nfs/dbraw/zinc/50/29/13/589502913.db2.gz XYZBGLITBOUVFP-SKDRFNHKSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@@H](NCC[C@@H](O)C1CCCC1)c1ncc[nH]1 ZINC000866637480 589506461 /nfs/dbraw/zinc/50/64/61/589506461.db2.gz HBQURDDGNYEPPA-ZYHUDNBSSA-N 0 1 237.347 2.002 20 0 BEADMN CC/C=C(/F)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000866750368 589517497 /nfs/dbraw/zinc/51/74/97/589517497.db2.gz QDDHPFMCUFILKE-UASDCXGESA-N 0 1 239.294 2.029 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)OC1CCCCC1 ZINC000867494569 589522381 /nfs/dbraw/zinc/52/23/81/589522381.db2.gz DGJPTGCOEVFENR-UHFFFAOYSA-N 0 1 237.303 2.311 20 0 BEADMN C[C@H](COCCc1c[nH]nn1)CC(C)(C)C ZINC000871752673 589805954 /nfs/dbraw/zinc/80/59/54/589805954.db2.gz LQQWQBLGYMWXCF-JTQLQIEISA-N 0 1 225.336 2.436 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1C1CCC1 ZINC000871942719 589836874 /nfs/dbraw/zinc/83/68/74/589836874.db2.gz NDSYQKHBOZRKDU-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN C[C@H]1CC[C@H]2C(=O)N(c3cccc(Cl)n3)N=C21 ZINC000871951575 589840218 /nfs/dbraw/zinc/84/02/18/589840218.db2.gz REIZVSYIEPFYBJ-JGVFFNPUSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@@H]1CCC2=NN(c3cccc(F)n3)C(=O)[C@H]2C1 ZINC000871952966 589841855 /nfs/dbraw/zinc/84/18/55/589841855.db2.gz WOSISEOSWCYNMC-BDAKNGLRSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953424 589841952 /nfs/dbraw/zinc/84/19/52/589841952.db2.gz PLSBCKPZEBINFC-CPCISQLKSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccnc(Cl)c3)[nH]c21 ZINC000871953660 589842829 /nfs/dbraw/zinc/84/28/29/589842829.db2.gz YDUNYCAUJSSNMK-IONNQARKSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1cccnc1N1N=C2CCCC[C@H]2C1=O ZINC000871956548 589843282 /nfs/dbraw/zinc/84/32/82/589843282.db2.gz VUQSCVPYLPDVTI-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cc(CN[C@H](C)c2cc(O)ccc2F)n[nH]1 ZINC000872037291 589858533 /nfs/dbraw/zinc/85/85/33/589858533.db2.gz DHOQLJHUKVHFRG-SECBINFHSA-N 0 1 249.289 2.414 20 0 BEADMN COCC1(N[C@H](C)c2cccc(O)c2F)CC1 ZINC000872058213 589862098 /nfs/dbraw/zinc/86/20/98/589862098.db2.gz OYSXMSAOVHNHAQ-SECBINFHSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@H](C[N@@H+](CCCC1CC1)C1CC1)C(=O)[O-] ZINC000872160686 589885872 /nfs/dbraw/zinc/88/58/72/589885872.db2.gz LONWZMONUKZLEU-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])CC1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000872162305 589887406 /nfs/dbraw/zinc/88/74/06/589887406.db2.gz GKUSEDIRMYGDEP-TXEJJXNPSA-N 0 1 235.327 2.139 20 0 BEADMN C[C@@H]1CCCN1CN1CCC2(CCCC2)C1=O ZINC000872587910 589955150 /nfs/dbraw/zinc/95/51/50/589955150.db2.gz ZBERSXGGTGSQND-GFCCVEGCSA-N 0 1 236.359 2.221 20 0 BEADMN CCOc1cccc(F)c1CNCC[C@H](C)O ZINC000873050132 589981614 /nfs/dbraw/zinc/98/16/14/589981614.db2.gz KPVWDAPBFJKNJV-JTQLQIEISA-N 0 1 241.306 2.085 20 0 BEADMN Cc1noc(C)c1CCCNCc1ccon1 ZINC000873074074 589982967 /nfs/dbraw/zinc/98/29/67/589982967.db2.gz IECPZBVOIZTRPD-UHFFFAOYSA-N 0 1 235.287 2.002 20 0 BEADMN C[C@H](C[C@@H](O)c1ccccc1)NCc1ccon1 ZINC000873097246 589984656 /nfs/dbraw/zinc/98/46/56/589984656.db2.gz KYAGANJIABOMLA-BXUZGUMPSA-N 0 1 246.310 2.276 20 0 BEADMN C[C@]1(CCNCc2ccon2)C[C@]1(F)Cl ZINC000873133120 589985875 /nfs/dbraw/zinc/98/58/75/589985875.db2.gz DMQLCXBIHBENIZ-VHSXEESVSA-N 0 1 232.686 2.469 20 0 BEADMN Cc1nc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)[nH]c1C ZINC000873156032 589988142 /nfs/dbraw/zinc/98/81/42/589988142.db2.gz SBAHAYDXAWRQCS-AGIUHOORSA-N 0 1 249.358 2.074 20 0 BEADMN c1csc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)n1 ZINC000873157278 589988674 /nfs/dbraw/zinc/98/86/74/589988674.db2.gz VMZIGQVDSQAJFP-GARJFASQSA-N 0 1 238.356 2.190 20 0 BEADMN Cn1cc(CNC2(C)CC(F)(F)C2)c(Cl)n1 ZINC000873197539 589992222 /nfs/dbraw/zinc/99/22/22/589992222.db2.gz FJWXIJRKYDLREF-UHFFFAOYSA-N 0 1 249.692 2.351 20 0 BEADMN CC1(NCc2ccncc2F)CC(F)(F)C1 ZINC000873197513 589992317 /nfs/dbraw/zinc/99/23/17/589992317.db2.gz CFEZMOVBXJNJEM-UHFFFAOYSA-N 0 1 230.233 2.498 20 0 BEADMN Cc1ccc2[nH]ncc2c1C(=O)OCC1CC1 ZINC000873488391 590049780 /nfs/dbraw/zinc/04/97/80/590049780.db2.gz NCAZTSTWBYJIIK-UHFFFAOYSA-N 0 1 230.267 2.438 20 0 BEADMN CCC[C@@H](CC)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000873547811 590055960 /nfs/dbraw/zinc/05/59/60/590055960.db2.gz JDQUIPZPXFHMKN-RKDXNWHRSA-N 0 1 225.292 2.235 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H](C)[C@@H]1CC12CC2)N(C)C ZINC000873625919 590064026 /nfs/dbraw/zinc/06/40/26/590064026.db2.gz UPXDYBOLNWGVBA-WOPDTQHZSA-N 0 1 239.359 2.304 20 0 BEADMN Cc1cncc([C@@H]2CCC[N@H+]2CCCC(=O)[O-])c1 ZINC000873647989 590066576 /nfs/dbraw/zinc/06/65/76/590066576.db2.gz MBZOHDHRQBKJIT-ZDUSSCGKSA-N 0 1 248.326 2.392 20 0 BEADMN O=C(CN1CCCC1)Nc1ccc2[nH]ccc2c1 ZINC000873922712 590078843 /nfs/dbraw/zinc/07/88/43/590078843.db2.gz HRAACVBDBVLGFX-UHFFFAOYSA-N 0 1 243.310 2.202 20 0 BEADMN CCCCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000873912395 590079121 /nfs/dbraw/zinc/07/91/21/590079121.db2.gz IVEQUVFCTLEFNX-GHMZBOCLSA-N 0 1 235.331 2.210 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)c1ccc(C)cc1 ZINC000873981764 590082556 /nfs/dbraw/zinc/08/25/56/590082556.db2.gz KXSRRGHFACWVJV-GFCCVEGCSA-N 0 1 234.343 2.298 20 0 BEADMN CC[C@H](CO)N[C@@H](C)c1c(F)cccc1F ZINC000020194940 590084044 /nfs/dbraw/zinc/08/40/44/590084044.db2.gz MJFHXYWRAXMJNQ-DTWKUNHWSA-N 0 1 229.270 2.386 20 0 BEADMN CC[C@@H](CO)N[C@H](C)c1c(F)cccc1F ZINC000020194943 590084170 /nfs/dbraw/zinc/08/41/70/590084170.db2.gz MJFHXYWRAXMJNQ-BDAKNGLRSA-N 0 1 229.270 2.386 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000874044612 590086475 /nfs/dbraw/zinc/08/64/75/590086475.db2.gz GXVGNQPMOBGJQV-NSHDSACASA-N 0 1 237.299 2.193 20 0 BEADMN Cc1ccc(N(C)C(=O)CN2CCCC2)cc1C ZINC000874105870 590091329 /nfs/dbraw/zinc/09/13/29/590091329.db2.gz OOLJYXWWKZEDOX-UHFFFAOYSA-N 0 1 246.354 2.362 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)CN2CCCC2)C1 ZINC000874160392 590094936 /nfs/dbraw/zinc/09/49/36/590094936.db2.gz ANWUHIXARGVRJN-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125480904 590166250 /nfs/dbraw/zinc/16/62/50/590166250.db2.gz FEXAMNUAEYVGCR-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCCCCCNC(=O)C[N@H+]1CC[C@@H](CC)C1 ZINC000125519700 590167112 /nfs/dbraw/zinc/16/71/12/590167112.db2.gz CQJACVNOCWBPDL-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CCNC[C@@H]1C ZINC000125996359 590203583 /nfs/dbraw/zinc/20/35/83/590203583.db2.gz AFOQKXWIRMJUCC-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCN(Cc1cc(OC)cnc1F)C(C)C ZINC000876559905 590215813 /nfs/dbraw/zinc/21/58/13/590215813.db2.gz DAQHKYHFSYSZJI-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCC(C)(C)SC ZINC000876562871 590216327 /nfs/dbraw/zinc/21/63/27/590216327.db2.gz VTRFHABVYATJNW-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN CCCn1cc(CN2CCC[C@H](CC)C2)nn1 ZINC000876613118 590221688 /nfs/dbraw/zinc/22/16/88/590221688.db2.gz ITDFHJKCKGMLAW-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2CCC[C@H]2C2CC2)nn1 ZINC000876690315 590230886 /nfs/dbraw/zinc/23/08/86/590230886.db2.gz UUPTUCIVJJBUNW-ZDUSSCGKSA-N 0 1 234.347 2.063 20 0 BEADMN COc1cccc(C)c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000876752266 590238022 /nfs/dbraw/zinc/23/80/22/590238022.db2.gz KKSSVAZEQNQADK-LBPRGKRZSA-N 0 1 249.354 2.472 20 0 BEADMN CCCn1cc(CN2C[C@H](C)CC[C@@H]2C)nn1 ZINC000876750210 590238267 /nfs/dbraw/zinc/23/82/67/590238267.db2.gz OSNMDGIOOWXQJC-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN(C(C)C)C2CCC2)nn1 ZINC000876758576 590238844 /nfs/dbraw/zinc/23/88/44/590238844.db2.gz KKLROVAPMHLFGD-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN COc1cnc(F)c(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000876800654 590243494 /nfs/dbraw/zinc/24/34/94/590243494.db2.gz TVRKUIFHTILMMW-UWVGGRQHSA-N 0 1 238.306 2.460 20 0 BEADMN CCC[C@@H](CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000876827330 590246850 /nfs/dbraw/zinc/24/68/50/590246850.db2.gz PMZSNRTUKRAYHZ-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@](C)(O)CNCc1nc(Cl)cs1 ZINC000876915607 590256635 /nfs/dbraw/zinc/25/66/35/590256635.db2.gz WFXOQIPIWPMMFF-SECBINFHSA-N 0 1 234.752 2.047 20 0 BEADMN CC(C)[C@](C)(O)CNCc1nc(Cl)cs1 ZINC000877043547 590273990 /nfs/dbraw/zinc/27/39/90/590273990.db2.gz LZKBNRSAOUGVFL-SNVBAGLBSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)[C@@H](CCO)NCc1nc(Cl)cs1 ZINC000877064230 590276942 /nfs/dbraw/zinc/27/69/42/590276942.db2.gz OVWDJLUOELOVBF-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN FCCCNCc1nc(Cl)cs1 ZINC000877091995 590281299 /nfs/dbraw/zinc/28/12/99/590281299.db2.gz TXWJKOLBMAVQPV-UHFFFAOYSA-N 0 1 208.689 2.246 20 0 BEADMN OC[C@H](CC1CC1)NCc1nc(Cl)cs1 ZINC000877117650 590288252 /nfs/dbraw/zinc/28/82/52/590288252.db2.gz NWTFNRXBILMONX-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN OCC1(CNCc2nc(Cl)cs2)CCC1 ZINC000877315903 590307017 /nfs/dbraw/zinc/30/70/17/590307017.db2.gz WFLGSQSMEYRXCQ-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCC[C@H]2CCO2)n1 ZINC000877344896 590319111 /nfs/dbraw/zinc/31/91/11/590319111.db2.gz QVPRKLKJKYGCMF-NWDGAFQWSA-N 0 1 235.331 2.116 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCC[C@@H]2CCO2)n1 ZINC000877344895 590319325 /nfs/dbraw/zinc/31/93/25/590319325.db2.gz QVPRKLKJKYGCMF-NEPJUHHUSA-N 0 1 235.331 2.116 20 0 BEADMN O[C@@H]1CC[C@H](CNCc2nc(Cl)cs2)C1 ZINC000877469667 590330787 /nfs/dbraw/zinc/33/07/87/590330787.db2.gz XRLNTKXKINTVHL-JGVFFNPUSA-N 0 1 246.763 2.047 20 0 BEADMN CC[C@@]1(NCc2nc(Cl)cs2)CCOC1 ZINC000877473695 590336065 /nfs/dbraw/zinc/33/60/65/590336065.db2.gz PYXLUXWCBPOVSW-SNVBAGLBSA-N 0 1 246.763 2.455 20 0 BEADMN CCCn1cc(CN2CC3(CCC3)C[C@@H]2C)nn1 ZINC000877479589 590336576 /nfs/dbraw/zinc/33/65/76/590336576.db2.gz WIVGHCJFCDDGII-LBPRGKRZSA-N 0 1 248.374 2.453 20 0 BEADMN O=c1ccc(CN2CCC(F)(F)CC2)c[nH]1 ZINC000877492801 590339838 /nfs/dbraw/zinc/33/98/38/590339838.db2.gz SWMSGMHHTBBGLB-UHFFFAOYSA-N 0 1 228.242 2.018 20 0 BEADMN CC(C)C1(CN2CCO[C@@H](C(F)F)C2)CC1 ZINC000877502402 590341849 /nfs/dbraw/zinc/34/18/49/590341849.db2.gz IFRCLHZEUHSKLG-SNVBAGLBSA-N 0 1 233.302 2.389 20 0 BEADMN FCC(CF)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877555835 590356294 /nfs/dbraw/zinc/35/62/94/590356294.db2.gz DHUKHBAUAHCWMW-BBBLOLIVSA-N 0 1 203.276 2.320 20 0 BEADMN ClC1(Cl)C[C@H]1CN[C@H]1CCn2ccnc21 ZINC000877557787 590359089 /nfs/dbraw/zinc/35/90/89/590359089.db2.gz XKTSUEZEHBTGCN-YUMQZZPRSA-N 0 1 246.141 2.111 20 0 BEADMN CCc1nc(CN[C@@H]2CS[C@@H](C)C2)co1 ZINC000877569976 590362449 /nfs/dbraw/zinc/36/24/49/590362449.db2.gz BZNYPFOBAMHYCN-IUCAKERBSA-N 0 1 226.345 2.221 20 0 BEADMN C[C@H]1CC[C@H](CNCc2nc(Cl)cs2)O1 ZINC000877579328 590363575 /nfs/dbraw/zinc/36/35/75/590363575.db2.gz XSXWTSGHICUHQL-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN Cc1ncc(CNC[C@H]2CC2(Cl)Cl)o1 ZINC000877584234 590367176 /nfs/dbraw/zinc/36/71/76/590367176.db2.gz XVOWGHUXYKUGLE-SSDOTTSWSA-N 0 1 235.114 2.266 20 0 BEADMN CCn1ccc(CNC[C@@H]2CC2(Cl)Cl)n1 ZINC000877588249 590369248 /nfs/dbraw/zinc/36/92/48/590369248.db2.gz YKNALQPTBDGXRO-QMMMGPOBSA-N 0 1 248.157 2.186 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)nn1 ZINC000877593957 590369758 /nfs/dbraw/zinc/36/97/58/590369758.db2.gz KLWSGLFAAWYFCF-SRVKXCTJSA-N 0 1 236.363 2.164 20 0 BEADMN O=c1[nH]ccc2oc(CN3CC[C@@H]4C[C@@H]4C3)cc21 ZINC000877635476 590380877 /nfs/dbraw/zinc/38/08/77/590380877.db2.gz SPWOEDWTHBMISP-NXEZZACHSA-N 0 1 244.294 2.375 20 0 BEADMN C[C@H](NC[C@@H]1CC1(Cl)Cl)c1nccn1C ZINC000877639543 590381612 /nfs/dbraw/zinc/38/16/12/590381612.db2.gz ASQXNNJXTMKTBE-YUMQZZPRSA-N 0 1 248.157 2.265 20 0 BEADMN Cc1cc(CNC(C)(C)[C@@H]2CCCCO2)no1 ZINC000877702489 590395908 /nfs/dbraw/zinc/39/59/08/590395908.db2.gz UXIMHRFSTVKHCQ-LBPRGKRZSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CSC[C@H]3C2)o1 ZINC000877738517 590407386 /nfs/dbraw/zinc/40/73/86/590407386.db2.gz OFPRXHSRZFFZDA-WDEREUQCSA-N 0 1 238.356 2.168 20 0 BEADMN CC(C)(C)OC1CN(C[C@H]2CCSC2)C1 ZINC000877769453 590421555 /nfs/dbraw/zinc/42/15/55/590421555.db2.gz CMFQUYBOUZPRPF-SNVBAGLBSA-N 0 1 229.389 2.239 20 0 BEADMN C1=C[C@H](CCCNCc2csnn2)CC1 ZINC000877805821 590425720 /nfs/dbraw/zinc/42/57/20/590425720.db2.gz MLGZOICTLCVWDE-JTQLQIEISA-N 0 1 223.345 2.374 20 0 BEADMN CCn1ncnc1CNCCC[C@H]1C=CCC1 ZINC000877805191 590425972 /nfs/dbraw/zinc/42/59/72/590425972.db2.gz IJHMVTZBJVWCRD-LBPRGKRZSA-N 0 1 234.347 2.134 20 0 BEADMN Cc1csc([C@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000877813322 590427561 /nfs/dbraw/zinc/42/75/61/590427561.db2.gz LAKLMFUEPBORDJ-JTQLQIEISA-N 0 1 248.355 2.164 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C(C)(C)O)C2)s1 ZINC000877836309 590431181 /nfs/dbraw/zinc/43/11/81/590431181.db2.gz UEUCPXBWUMLHCR-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN CCN1CC[C@H]1CNC(=O)Nc1cccc(C)c1 ZINC000877897403 590441581 /nfs/dbraw/zinc/44/15/81/590441581.db2.gz JMVJGTWPARACPA-ZDUSSCGKSA-N 0 1 247.342 2.211 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC000877898633 590442462 /nfs/dbraw/zinc/44/24/62/590442462.db2.gz BTRCDZHLNUUGMY-AGIUHOORSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC000877898633 590442463 /nfs/dbraw/zinc/44/24/63/590442463.db2.gz BTRCDZHLNUUGMY-AGIUHOORSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)C[N@@H+](C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000877899381 590442899 /nfs/dbraw/zinc/44/28/99/590442899.db2.gz RMFAQSBBHWPYSE-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)CN(C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000877899381 590442901 /nfs/dbraw/zinc/44/29/01/590442901.db2.gz RMFAQSBBHWPYSE-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)C[C@H](C)O1 ZINC000877901661 590443901 /nfs/dbraw/zinc/44/39/01/590443901.db2.gz RBIJYZVOGMLSJX-FRRDWIJNSA-N 0 1 239.359 2.197 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000877957242 590457082 /nfs/dbraw/zinc/45/70/82/590457082.db2.gz HSWSYRCQBVNHHG-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H]1CN(C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000877957244 590457576 /nfs/dbraw/zinc/45/75/76/590457576.db2.gz HSWSYRCQBVNHHG-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877962954 590459282 /nfs/dbraw/zinc/45/92/82/590459282.db2.gz BPSMOZBCGPPIFY-ZANVPECISA-N 0 1 249.358 2.380 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)CCC(C)C ZINC000877975416 590464268 /nfs/dbraw/zinc/46/42/68/590464268.db2.gz NEOITZDPNSIBDH-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CC[N@@H+](CCOC)C[C@@H]1CCCC(C)(C)O1 ZINC000877993605 590467526 /nfs/dbraw/zinc/46/75/26/590467526.db2.gz SKZWXHDAUUQSTH-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CC[N@@H+](CCOC)C[C@H]1CCC(C)(C)CO1 ZINC000877993563 590467881 /nfs/dbraw/zinc/46/78/81/590467881.db2.gz QTAZPRMPEACBCO-GFCCVEGCSA-N 0 1 229.364 2.160 20 0 BEADMN CCC[N@@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878014520 590471830 /nfs/dbraw/zinc/47/18/30/590471830.db2.gz UTHLQYAJFOCCTN-UHFFFAOYSA-N 0 1 247.298 2.284 20 0 BEADMN CCCN(C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878014520 590471831 /nfs/dbraw/zinc/47/18/31/590471831.db2.gz UTHLQYAJFOCCTN-UHFFFAOYSA-N 0 1 247.298 2.284 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878109063 590495953 /nfs/dbraw/zinc/49/59/53/590495953.db2.gz QBDSKSGFDUZGIB-MQYQWHSLSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878109066 590496366 /nfs/dbraw/zinc/49/63/66/590496366.db2.gz QBDSKSGFDUZGIB-YIYPIFLZSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1CCC(C)(C)CO1 ZINC000878109750 590496671 /nfs/dbraw/zinc/49/66/71/590496671.db2.gz ZSJVFZHUSJFGMN-OLZOCXBDSA-N 0 1 241.375 2.302 20 0 BEADMN C=C/C=C\CCN(C)Cc1cnccn1 ZINC000878171136 590514863 /nfs/dbraw/zinc/51/48/63/590514863.db2.gz ZSJCNDZLEFGMRI-PLNGDYQASA-N 0 1 203.289 2.041 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878181256 590516875 /nfs/dbraw/zinc/51/68/75/590516875.db2.gz MVALUIWJFQJWKN-GWCFXTLKSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H](CO)N(C)Cc1cc(C(F)(F)F)co1 ZINC000878297628 590536233 /nfs/dbraw/zinc/53/62/33/590536233.db2.gz LRPBBSDECXXOPG-ZETCQYMHSA-N 0 1 237.221 2.111 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878299000 590537099 /nfs/dbraw/zinc/53/70/99/590537099.db2.gz ONJIAKXDYWPZSF-SOUVJXGZSA-N 0 1 246.354 2.471 20 0 BEADMN C=C/C=C/CCN[C@@H](C)c1nnc(C)o1 ZINC000878427797 590565294 /nfs/dbraw/zinc/56/52/94/590565294.db2.gz XARLCUMSBGZJQT-CYNONHLPSA-N 0 1 207.277 2.161 20 0 BEADMN CN(Cc1cc(C(F)(F)F)co1)C1CC(O)C1 ZINC000878431051 590566425 /nfs/dbraw/zinc/56/64/25/590566425.db2.gz XNDAMRYQTXLRFR-UHFFFAOYSA-N 0 1 249.232 2.254 20 0 BEADMN C[C@H]1CCN(CCCC2CC2)CC[S@]1=O ZINC000878512573 590584043 /nfs/dbraw/zinc/58/40/43/590584043.db2.gz PYGOXQKDILVXJM-XHDPSFHLSA-N 0 1 229.389 2.020 20 0 BEADMN C=C/C=C/CC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000878549357 590590265 /nfs/dbraw/zinc/59/02/65/590590265.db2.gz FHKQVBZNMROLGM-PGLGOXFNSA-N 0 1 249.314 2.087 20 0 BEADMN C=C/C=C/CCN(CC(=O)OC)[C@@H](C)CC ZINC000878549108 590590299 /nfs/dbraw/zinc/59/02/99/590590299.db2.gz AOJPGNLKASRTBM-GUOLPTJISA-N 0 1 225.332 2.392 20 0 BEADMN C=C/C=C/CCN1CCOC[C@H]1CC(F)F ZINC000878611130 590596006 /nfs/dbraw/zinc/59/60/06/590596006.db2.gz JVNGSMNFJXUUAK-PGLGOXFNSA-N 0 1 231.286 2.475 20 0 BEADMN C=C/C=C/CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000878645349 590600590 /nfs/dbraw/zinc/60/05/90/590600590.db2.gz JVLFGJCSPOPFRG-XUIVZRPNSA-N 0 1 223.316 2.145 20 0 BEADMN CC(C)N(C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1COC1 ZINC000878657308 590604106 /nfs/dbraw/zinc/60/41/06/590604106.db2.gz CRUZNIAZKCRENE-XBFCOCLRSA-N 0 1 239.359 2.053 20 0 BEADMN F[C@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000878663512 590605003 /nfs/dbraw/zinc/60/50/03/590605003.db2.gz KHIDUACZEKHRQV-WDEREUQCSA-N 0 1 213.296 2.132 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nocc1C ZINC000878691143 590610538 /nfs/dbraw/zinc/61/05/38/590610538.db2.gz WWFVTACNGFHOMR-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1nocc1C)C1CC1 ZINC000878708987 590613802 /nfs/dbraw/zinc/61/38/02/590613802.db2.gz CMDFBRGVKVIWJN-MFKMUULPSA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@@H](CN1CCC=C(Cl)C1)OC ZINC000878790448 590622329 /nfs/dbraw/zinc/62/23/29/590622329.db2.gz MBINUDQIMJBRGK-JTQLQIEISA-N 0 1 203.713 2.240 20 0 BEADMN C[N@@H+](Cc1ccc(Cl)nn1)C1CCC1 ZINC000127375855 590635429 /nfs/dbraw/zinc/63/54/29/590635429.db2.gz MABFAYVJVXXPHI-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CN(Cc1ccc(Cl)nn1)C1CCC1 ZINC000127375855 590635432 /nfs/dbraw/zinc/63/54/32/590635432.db2.gz MABFAYVJVXXPHI-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CO[C@H]1CN(C[C@@H](C)CC(C)(C)C)CCO1 ZINC000878968896 590663205 /nfs/dbraw/zinc/66/32/05/590663205.db2.gz FAOGNHNXBYJYEY-NWDGAFQWSA-N 0 1 229.364 2.363 20 0 BEADMN CC(C)[C@H](O)CCN1CCC[C@H]1c1ncccn1 ZINC000878978227 590667036 /nfs/dbraw/zinc/66/70/36/590667036.db2.gz QBKIZBGDXLYZNL-QWHCGFSZSA-N 0 1 249.358 2.021 20 0 BEADMN C=C/C=C\CCN1CCO[C@@](C)(C(F)F)C1 ZINC000879009392 590676491 /nfs/dbraw/zinc/67/64/91/590676491.db2.gz XADNKZFJSOVOHM-QMAVJUDZSA-N 0 1 231.286 2.475 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000879325254 590745656 /nfs/dbraw/zinc/74/56/56/590745656.db2.gz JROUNUKNHFSZOP-SMDDNHRTSA-N 0 1 249.358 2.093 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000127746708 590769094 /nfs/dbraw/zinc/76/90/94/590769094.db2.gz UCSJGFCIOVYJCR-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN CCCc1noc(CN2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000879528198 590789612 /nfs/dbraw/zinc/78/96/12/590789612.db2.gz OUTIJBGWPOVRBB-TXEJJXNPSA-N 0 1 247.342 2.420 20 0 BEADMN CCCC[N@H+]1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879526307 590789780 /nfs/dbraw/zinc/78/97/80/590789780.db2.gz WOBMBKZKZGHUSK-OAHLLOKOSA-N 0 1 248.370 2.442 20 0 BEADMN C[C@H](c1csnn1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530462 590793287 /nfs/dbraw/zinc/79/32/87/590793287.db2.gz SPELUFLQXSHXTQ-MXWKQRLJSA-N 0 1 235.356 2.497 20 0 BEADMN CC(C)C[C@H](O)CN[C@H](C)c1cscn1 ZINC000127837619 590795932 /nfs/dbraw/zinc/79/59/32/590795932.db2.gz DBMOTVSABWUTEA-ZJUUUORDSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2ccnn2C)c(C)n1 ZINC000879686531 590847934 /nfs/dbraw/zinc/84/79/34/590847934.db2.gz COKCXVQLCSYLRJ-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879825318 590881347 /nfs/dbraw/zinc/88/13/47/590881347.db2.gz GTUXBHBTLHVMRY-DNJQJEMRSA-N 0 1 247.342 2.085 20 0 BEADMN COCC1(N(C)Cc2ccc(F)cn2)CCC1 ZINC000880185299 590952244 /nfs/dbraw/zinc/95/22/44/590952244.db2.gz LKEWPPIHWKWOQF-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CC=C(CC)C(=O)Nc1cccc2[nH]nnc21 ZINC000880196446 590956789 /nfs/dbraw/zinc/95/67/89/590956789.db2.gz RBHCCHJAKIEEOL-FPYGCLRLSA-N 0 1 230.271 2.253 20 0 BEADMN COc1cccc(CN2CCC[C@H](CF)C2)n1 ZINC000880232647 590963898 /nfs/dbraw/zinc/96/38/98/590963898.db2.gz PNXGIINCPBACTE-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN COc1ccc(CN2CCC[C@H](CF)C2)nc1 ZINC000880237070 590967517 /nfs/dbraw/zinc/96/75/17/590967517.db2.gz PNIPMKWBTGTCLI-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN FC[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000880237435 590968344 /nfs/dbraw/zinc/96/83/44/590968344.db2.gz WKEQTIQGEXSDAS-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@H](CF)C2)n[nH]1 ZINC000880237999 590969680 /nfs/dbraw/zinc/96/96/80/590969680.db2.gz MLJDAPZEFNXIIR-VHSXEESVSA-N 0 1 240.326 2.110 20 0 BEADMN FC[C@H]1CCCN(Cc2ccns2)C1 ZINC000880238003 590970050 /nfs/dbraw/zinc/97/00/50/590970050.db2.gz MMFXWONDQLPJDR-SECBINFHSA-N 0 1 214.309 2.325 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC(F)CC1 ZINC000880242641 590975882 /nfs/dbraw/zinc/97/58/82/590975882.db2.gz GKBORTGDQXKMJD-JTQLQIEISA-N 0 1 244.354 2.114 20 0 BEADMN Cc1csc(CN2CC[C@@H](CF)C2)n1 ZINC000880295655 590991206 /nfs/dbraw/zinc/99/12/06/590991206.db2.gz WVCJDKGIFQNQHT-VIFPVBQESA-N 0 1 214.309 2.243 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H](CF)C1 ZINC000880298563 590992838 /nfs/dbraw/zinc/99/28/38/590992838.db2.gz FATRIYKWQNIOKV-GHMZBOCLSA-N 0 1 245.338 2.398 20 0 BEADMN Cc1cnc(CN2CC[C@@H](CF)C2)s1 ZINC000880299893 590995153 /nfs/dbraw/zinc/99/51/53/590995153.db2.gz ZNSDOCWFGWMNHL-VIFPVBQESA-N 0 1 214.309 2.243 20 0 BEADMN c1csc([C@@H]2CCN(Cc3ccno3)C2)n1 ZINC000880314854 591002052 /nfs/dbraw/zinc/00/20/52/591002052.db2.gz GGIWCKOUJAJUBS-SECBINFHSA-N 0 1 235.312 2.121 20 0 BEADMN CC(C)CCNC1(c2ncccn2)CCC1 ZINC000880364614 591010485 /nfs/dbraw/zinc/01/04/85/591010485.db2.gz JQDAIMURROURNG-UHFFFAOYSA-N 0 1 219.332 2.492 20 0 BEADMN CC(C)OCCCNC1(c2ncccn2)CCC1 ZINC000880366087 591011946 /nfs/dbraw/zinc/01/19/46/591011946.db2.gz ZUBKVKJKNRRMSP-UHFFFAOYSA-N 0 1 249.358 2.261 20 0 BEADMN c1cnc(C2(NCC[C@@H]3CCCO3)CCC2)nc1 ZINC000880366890 591012168 /nfs/dbraw/zinc/01/21/68/591012168.db2.gz YKNAJBMPTZCBCY-LBPRGKRZSA-N 0 1 247.342 2.015 20 0 BEADMN C[C@H]1c2sccc2CCN1CC[S@@](C)=O ZINC000880376300 591015293 /nfs/dbraw/zinc/01/52/93/591015293.db2.gz FUTNFMWDLFWOFY-BJOHPYRUSA-N 0 1 243.397 2.046 20 0 BEADMN C[C@@H]1c2sccc2CCN1CC[S@@](C)=O ZINC000880376302 591016138 /nfs/dbraw/zinc/01/61/38/591016138.db2.gz FUTNFMWDLFWOFY-RFAUZJTJSA-N 0 1 243.397 2.046 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ncccc1Cl ZINC000880434849 591035731 /nfs/dbraw/zinc/03/57/31/591035731.db2.gz IKEAQUFXUPVXSU-NXEZZACHSA-N 0 1 240.734 2.080 20 0 BEADMN CSc1cccc(CN2CC=C[C@@H]2CO)c1 ZINC000880493823 591070348 /nfs/dbraw/zinc/07/03/48/591070348.db2.gz GILDALLHBKQQPS-GFCCVEGCSA-N 0 1 235.352 2.141 20 0 BEADMN Cc1cccc(Cl)c1CN1CC=C[C@@H]1CO ZINC000880492690 591071884 /nfs/dbraw/zinc/07/18/84/591071884.db2.gz UZPUSAUPVKZJCF-LLVKDONJSA-N 0 1 237.730 2.381 20 0 BEADMN FCCN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552399 591089858 /nfs/dbraw/zinc/08/98/58/591089858.db2.gz UZXZRYRMRUHPBF-CYBMUJFWSA-N 0 1 234.318 2.441 20 0 BEADMN C/C(=C\C[N@@H+](C)CCc1cccs1)C(=O)[O-] ZINC000211298134 591153961 /nfs/dbraw/zinc/15/39/61/591153961.db2.gz ZZFWUPCNVSOEBH-BJMVGYQFSA-N 0 1 239.340 2.253 20 0 BEADMN CC[N@H+](CCC(=O)[O-])C/C(Cl)=C\Cl ZINC000211388185 591164311 /nfs/dbraw/zinc/16/43/11/591164311.db2.gz OBTLVDVHLHAXJD-FNORWQNLSA-N 0 1 226.103 2.102 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C/C(Cl)=C\Cl ZINC000211388185 591164314 /nfs/dbraw/zinc/16/43/14/591164314.db2.gz OBTLVDVHLHAXJD-FNORWQNLSA-N 0 1 226.103 2.102 20 0 BEADMN CN(CC(=O)NCCCCC1CC1)C1CCC1 ZINC000881436474 591205762 /nfs/dbraw/zinc/20/57/62/591205762.db2.gz XZTPSVFJTPGFCG-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCC[C@H](C)CCNC(=O)[C@@H]1CCCCN1C ZINC000881530061 591230554 /nfs/dbraw/zinc/23/05/54/591230554.db2.gz OCTMZSWDMBMKSZ-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H](C)CCNC(=O)[C@H]1CCCCN1C ZINC000881530060 591230630 /nfs/dbraw/zinc/23/06/30/591230630.db2.gz OCTMZSWDMBMKSZ-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@H](C)CCNC(=O)C1(N(C)C)CC1 ZINC000881532368 591231790 /nfs/dbraw/zinc/23/17/90/591231790.db2.gz QLOSZTGTLYXWNQ-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](CNC(=O)[C@@H](N)c1ccccc1)C(C)(C)C ZINC000129499019 591313548 /nfs/dbraw/zinc/31/35/48/591313548.db2.gz NVDJLHPGRDHMHL-YPMHNXCESA-N 0 1 248.370 2.485 20 0 BEADMN CCC[C@H](C)CC(=O)NC[C@@H]1CCN1CC ZINC000882485039 591361269 /nfs/dbraw/zinc/36/12/69/591361269.db2.gz FCLSPTAAGRUMGM-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC000882487403 591363739 /nfs/dbraw/zinc/36/37/39/591363739.db2.gz DYMCNESPGOMVSR-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@H]1CCC[C@H]1C ZINC000882489563 591366519 /nfs/dbraw/zinc/36/65/19/591366519.db2.gz DLYYHRMDPZNFAD-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCc1ccccc1C(=O)NC[C@H]1CCN1CC ZINC000882489156 591366542 /nfs/dbraw/zinc/36/65/42/591366542.db2.gz NFLJJCYKGFMVTQ-CYBMUJFWSA-N 0 1 246.354 2.073 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC000882489297 591366917 /nfs/dbraw/zinc/36/69/17/591366917.db2.gz AAISLGYWDRWDCC-OCCSQVGLSA-N 0 1 246.354 2.001 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1 ZINC000882489299 591367205 /nfs/dbraw/zinc/36/72/05/591367205.db2.gz AAISLGYWDRWDCC-TZMCWYRMSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](C)CCC(=O)NC[C@@H]1CCN1CC ZINC000882492896 591372598 /nfs/dbraw/zinc/37/25/98/591372598.db2.gz URUVNVLSNOXHNY-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCNCc1nc(-c2ccc(OC)c(C)c2)no1 ZINC000129794342 591405050 /nfs/dbraw/zinc/40/50/50/591405050.db2.gz GOBHOIZEOAEGAD-UHFFFAOYSA-N 0 1 247.298 2.163 20 0 BEADMN Cc1cccc(NC[C@@H](CO)Cc2ccoc2)n1 ZINC000882866783 591457331 /nfs/dbraw/zinc/45/73/31/591457331.db2.gz WNRSBKZXNGNCTF-ZDUSSCGKSA-N 0 1 246.310 2.246 20 0 BEADMN CCCCOCCNCc1nc(C(C)C)c[nH]1 ZINC000882940002 591478481 /nfs/dbraw/zinc/47/84/81/591478481.db2.gz JZYZNUDMDLTDBO-UHFFFAOYSA-N 0 1 239.363 2.439 20 0 BEADMN CCN1CC[C@@H]1CNc1ncc(Cl)s1 ZINC000882958734 591486206 /nfs/dbraw/zinc/48/62/06/591486206.db2.gz IYUVXJVPBSEZJZ-SSDOTTSWSA-N 0 1 231.752 2.303 20 0 BEADMN CC(C)C(N)=NOCCCOC(F)(F)F ZINC000882987470 591494462 /nfs/dbraw/zinc/49/44/62/591494462.db2.gz GSVRJFVHBICODF-UHFFFAOYSA-N 0 1 228.214 2.067 20 0 BEADMN FC1(F)CCC[C@@H]1CCOCCc1c[nH]nn1 ZINC000882992973 591498248 /nfs/dbraw/zinc/49/82/48/591498248.db2.gz BORIYVMOQIGILJ-SECBINFHSA-N 0 1 245.273 2.189 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882994146 591499123 /nfs/dbraw/zinc/49/91/23/591499123.db2.gz UIWAPMMAYSEXEZ-JQWIXIFHSA-N 0 1 239.363 2.030 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CCSC2)n1 ZINC000883020272 591517682 /nfs/dbraw/zinc/51/76/82/591517682.db2.gz XCBYBLCMIAPKID-VIFPVBQESA-N 0 1 225.361 2.128 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@]2(C)CCCO2)n1 ZINC000883036217 591522986 /nfs/dbraw/zinc/52/29/86/591522986.db2.gz DMGXUNCITZFRLI-CYBMUJFWSA-N 0 1 237.347 2.192 20 0 BEADMN CSc1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC000883048609 591528124 /nfs/dbraw/zinc/52/81/24/591528124.db2.gz RUKGHZCDBHBTEB-VHSXEESVSA-N 0 1 239.340 2.028 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H](C)CC(C)(C)O)n1 ZINC000883132762 591546791 /nfs/dbraw/zinc/54/67/91/591546791.db2.gz CFGFXXXXUAIYEL-JTQLQIEISA-N 0 1 239.363 2.172 20 0 BEADMN FCC(CF)N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883132523 591547270 /nfs/dbraw/zinc/54/72/70/591547270.db2.gz ULNHEAIAUMWBKN-MYJAWHEDSA-N 0 1 203.276 2.462 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc(C(C)C)c[nH]2)C1 ZINC000883143958 591549728 /nfs/dbraw/zinc/54/97/28/591549728.db2.gz AJRMTQVVOWKDPG-PHIMTYICSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@H]2CC[C@H](C)O2)n1 ZINC000883140547 591550428 /nfs/dbraw/zinc/55/04/28/591550428.db2.gz WVJGUSLATXGUNG-WDEREUQCSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2C=CCC2)n1 ZINC000883166818 591558593 /nfs/dbraw/zinc/55/85/93/591558593.db2.gz JLETXKHRQBGNPJ-SNVBAGLBSA-N 0 1 205.305 2.341 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000883193942 591568752 /nfs/dbraw/zinc/56/87/52/591568752.db2.gz JICSNLWKSFIHHM-MXWKQRLJSA-N 0 1 237.347 2.189 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@H](C)CC1)C(=O)[O-] ZINC000214549721 591608954 /nfs/dbraw/zinc/60/89/54/591608954.db2.gz FLMRPQKXUGCTIY-OTXQMUPVSA-N 0 1 211.305 2.139 20 0 BEADMN COC[C@H]1C[C@@H](N[C@H](C)c2cc(C)on2)C1 ZINC000883319414 591613203 /nfs/dbraw/zinc/61/32/03/591613203.db2.gz AREVDSWYLYOUEF-MXWKQRLJSA-N 0 1 224.304 2.059 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000883319605 591614657 /nfs/dbraw/zinc/61/46/57/591614657.db2.gz JGGDQJWWLSMHOZ-RWMBFGLXSA-N 0 1 248.374 2.275 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(O)ccc2Cl)CO1 ZINC000883324990 591615812 /nfs/dbraw/zinc/61/58/12/591615812.db2.gz LKLDLVRDTRUCBU-PSASIEDQSA-N 0 1 241.718 2.313 20 0 BEADMN C[C@H]1C[C@H](NCc2cc(O)ccc2Cl)CO1 ZINC000883324993 591615928 /nfs/dbraw/zinc/61/59/28/591615928.db2.gz LKLDLVRDTRUCBU-WPRPVWTQSA-N 0 1 241.718 2.313 20 0 BEADMN C[C@H](C[N@@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)[O-] ZINC000883408506 591650354 /nfs/dbraw/zinc/65/03/54/591650354.db2.gz YPUIRLUYAWMOSY-ZJUUUORDSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883404794 591650440 /nfs/dbraw/zinc/65/04/40/591650440.db2.gz NOODKTGDJTZNSK-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883404930 591650449 /nfs/dbraw/zinc/65/04/49/591650449.db2.gz UDPWFKSZAGMPTL-VHSXEESVSA-N 0 1 247.285 2.218 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000214602419 591673800 /nfs/dbraw/zinc/67/38/00/591673800.db2.gz JMRXCZKAVZPJRU-DHZHZOJOSA-N 0 1 219.284 2.149 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCCCC1 ZINC000132612469 591725057 /nfs/dbraw/zinc/72/50/57/591725057.db2.gz UNDWVYINOFZPTL-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1-c1ccncc1 ZINC000132856282 591743315 /nfs/dbraw/zinc/74/33/15/591743315.db2.gz FMLUENSBAYUFHA-UHFFFAOYSA-N 0 1 229.283 2.365 20 0 BEADMN Cc1cnc(=S)n(CN2CCC[C@H]2C)c1 ZINC000133327889 591787900 /nfs/dbraw/zinc/78/79/00/591787900.db2.gz IXCULJOTIFKOPK-SNVBAGLBSA-N 0 1 223.345 2.363 20 0 BEADMN CCn1cc(CN2CCC[C@H]3CCC[C@H]32)nn1 ZINC000884002748 591791636 /nfs/dbraw/zinc/79/16/36/591791636.db2.gz YIUCWIUTXKTILE-DGCLKSJQSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN2CCC[C@@H]3CCC[C@H]32)nn1 ZINC000884002749 591792354 /nfs/dbraw/zinc/79/23/54/591792354.db2.gz YIUCWIUTXKTILE-WCQYABFASA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN2CCCC(C)(C)CC2)nn1 ZINC000884003352 591793318 /nfs/dbraw/zinc/79/33/18/591793318.db2.gz MULYLVJNMRDVFC-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CC[S@](=O)CCN[C@@H](C)c1ccc(C)o1 ZINC000133512091 591810271 /nfs/dbraw/zinc/81/02/71/591810271.db2.gz YTZQPIGLOXDMJR-ZUZCIYMTSA-N 0 1 229.345 2.007 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=Cc1cccs1 ZINC000214862865 591883350 /nfs/dbraw/zinc/88/33/50/591883350.db2.gz XAQOZCBDASVUGX-PLNGDYQASA-N 0 1 247.323 2.109 20 0 BEADMN O=C1C[C@H](C2CC2)CN1CN1CCC2(CCC2)C1 ZINC000134798797 591950196 /nfs/dbraw/zinc/95/01/96/591950196.db2.gz LXGHVPFJZXDGQZ-ZDUSSCGKSA-N 0 1 248.370 2.078 20 0 BEADMN C=C/C=C\CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000884501328 591959297 /nfs/dbraw/zinc/95/92/97/591959297.db2.gz FJHCUZKORKPWFQ-QDZRJHCZSA-N 0 1 225.332 2.248 20 0 BEADMN C=C/C=C/CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000884501325 591959346 /nfs/dbraw/zinc/95/93/46/591959346.db2.gz FJHCUZKORKPWFQ-ABZNLYFFSA-N 0 1 225.332 2.248 20 0 BEADMN CCCCCC(C)(C)C(=O)N1CC(N(C)C)C1 ZINC000134939684 591960130 /nfs/dbraw/zinc/96/01/30/591960130.db2.gz WXSTWILHUSGVGW-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN [O-]c1cccc2c(N3C[C@@H]4C[C@@H]4C3)cc[nH+]c12 ZINC000884590173 591989622 /nfs/dbraw/zinc/98/96/22/591989622.db2.gz QKEQODKFZRQMEF-AOOOYVTPSA-N 0 1 226.279 2.397 20 0 BEADMN C/C=C\COC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885258465 592061176 /nfs/dbraw/zinc/06/11/76/592061176.db2.gz HOMSFJAFIQIKNW-RUSDJZDSSA-N 0 1 234.299 2.195 20 0 BEADMN CC(C)COC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885259686 592061749 /nfs/dbraw/zinc/06/17/49/592061749.db2.gz ARICJOQZBDMDOJ-CABZTGNLSA-N 0 1 236.315 2.275 20 0 BEADMN CN(Cc1ccc(F)cc1)C[C@](C)(O)C(F)F ZINC000885933495 592109569 /nfs/dbraw/zinc/10/95/69/592109569.db2.gz VZIVWMJACHDPQC-LBPRGKRZSA-N 0 1 247.260 2.274 20 0 BEADMN C[C@H]1COCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000885951797 592113477 /nfs/dbraw/zinc/11/34/77/592113477.db2.gz PJCKLQQCTIZEQC-UHTWSYAYSA-N 0 1 209.333 2.143 20 0 BEADMN C[C@@H]1CN(CCSC(F)(F)F)CCCO1 ZINC000885982278 592121107 /nfs/dbraw/zinc/12/11/07/592121107.db2.gz ZAVRBLOJNBPDKN-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cc(C)co1 ZINC000886170442 592168653 /nfs/dbraw/zinc/16/86/53/592168653.db2.gz YUXUUVATYKBGGR-NEPJUHHUSA-N 0 1 209.289 2.245 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@]23C[C@H]2COC3)o1 ZINC000886201493 592175458 /nfs/dbraw/zinc/17/54/58/592175458.db2.gz GXYGWMRMWVFKGJ-XVMOGABASA-N 0 1 233.311 2.282 20 0 BEADMN CC(C)N(C[C@@H]1CC[C@H](C2CC2)O1)C1COC1 ZINC000886220349 592179857 /nfs/dbraw/zinc/17/98/57/592179857.db2.gz GTAUJXLUJGYLKZ-UONOGXRCSA-N 0 1 239.359 2.053 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886226497 592180530 /nfs/dbraw/zinc/18/05/30/592180530.db2.gz NHAWWXHPHRUSEE-CABCVRRESA-N 0 1 246.354 2.471 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1ccn(C)n1 ZINC000886243011 592183451 /nfs/dbraw/zinc/18/34/51/592183451.db2.gz LUBOEGKJWXSNBK-ZKYQVNSYSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H](NCC1(C)CCOCC1)c1ncco1 ZINC000886274109 592193841 /nfs/dbraw/zinc/19/38/41/592193841.db2.gz MMQWHDJCLUVJQB-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN CN(CC[C@@H]1C[C@H]1C1CC1)Cc1c[nH]cn1 ZINC000886273773 592194098 /nfs/dbraw/zinc/19/40/98/592194098.db2.gz GLHLVLSBVNYWQD-YPMHNXCESA-N 0 1 219.332 2.278 20 0 BEADMN C[C@@H](NC1C[C@@H](C)O[C@H](C)C1)c1ncco1 ZINC000886274455 592194318 /nfs/dbraw/zinc/19/43/18/592194318.db2.gz UAVBOKAUWLMOGL-OPRDCNLKSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@@H](NC[C@H]1CCO[C@H](C)C1)c1ncco1 ZINC000886274645 592194586 /nfs/dbraw/zinc/19/45/86/592194586.db2.gz YAPLPVATHYCDGO-MXWKQRLJSA-N 0 1 224.304 2.140 20 0 BEADMN Cc1ncc(CNC[C@H]2CC3(CCC3)CO2)o1 ZINC000886287150 592201136 /nfs/dbraw/zinc/20/11/36/592201136.db2.gz KXKNHCNLTLVTQD-LLVKDONJSA-N 0 1 236.315 2.032 20 0 BEADMN FCC[C@H]1CN(CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000886300265 592202323 /nfs/dbraw/zinc/20/23/23/592202323.db2.gz DMCFLKNMZAKTDX-RDBSUJKOSA-N 0 1 241.350 2.483 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886297578 592202901 /nfs/dbraw/zinc/20/29/01/592202901.db2.gz VAWRPPWWSGEJDT-DZGCQCFKSA-N 0 1 245.322 2.134 20 0 BEADMN Cc1cn[nH]c1CN1Cc2ccccc2CO1 ZINC000886308464 592204417 /nfs/dbraw/zinc/20/44/17/592204417.db2.gz DRRUUVQYHASYFI-UHFFFAOYSA-N 0 1 229.283 2.166 20 0 BEADMN Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000886327578 592209461 /nfs/dbraw/zinc/20/94/61/592209461.db2.gz MQBYCBNHIFEWSY-RWMBFGLXSA-N 0 1 244.338 2.274 20 0 BEADMN Cc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886327743 592209733 /nfs/dbraw/zinc/20/97/33/592209733.db2.gz QTFRPVVSRJXFEX-RWMBFGLXSA-N 0 1 244.338 2.274 20 0 BEADMN CC(C)[C@@H](NCc1ccccn1)c1cnn(C)c1 ZINC000886487700 592235105 /nfs/dbraw/zinc/23/51/05/592235105.db2.gz POLPIDFSMIWCQR-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN Cn1ccc(CN[C@H]2CCc3cccnc32)c1 ZINC000886536177 592250375 /nfs/dbraw/zinc/25/03/75/592250375.db2.gz CAXBWDVWUAZSDB-ZDUSSCGKSA-N 0 1 227.311 2.197 20 0 BEADMN COCC1(CN[C@@H](C)c2ncco2)CCC1 ZINC000886538185 592252243 /nfs/dbraw/zinc/25/22/43/592252243.db2.gz CTBTVJMFTGJOST-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000886684900 592302424 /nfs/dbraw/zinc/30/24/24/592302424.db2.gz VNIXDPQUIRZFII-SECBINFHSA-N 0 1 238.331 2.455 20 0 BEADMN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1ncc[nH]1 ZINC000886702040 592306380 /nfs/dbraw/zinc/30/63/80/592306380.db2.gz ZLVVJRGPKNGONT-QWRGUYRKSA-N 0 1 235.331 2.020 20 0 BEADMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1nccn1C ZINC000886702095 592307507 /nfs/dbraw/zinc/30/75/07/592307507.db2.gz ZZRVIPHYRIVLLN-NWDGAFQWSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ncc[nH]1 ZINC000886730847 592313890 /nfs/dbraw/zinc/31/38/90/592313890.db2.gz NIFUGKOCIBWHDI-NEPJUHHUSA-N 0 1 249.358 2.410 20 0 BEADMN Cc1nc(CN2CC[C@H]([C@H]3CCCO3)C2)[nH]c1C ZINC000886815394 592334939 /nfs/dbraw/zinc/33/49/39/592334939.db2.gz CXBYJKPPNRDFJJ-QWHCGFSZSA-N 0 1 249.358 2.027 20 0 BEADMN c1nc(CN2CC[C@@H]([C@@H]3CCCO3)C2)cs1 ZINC000886835036 592356136 /nfs/dbraw/zinc/35/61/36/592356136.db2.gz HIBMJGFDYKLNOZ-PWSUYJOCSA-N 0 1 238.356 2.144 20 0 BEADMN Cc1cn[nH]c1CN(CC(F)F)C1CCC1 ZINC000887104012 592444338 /nfs/dbraw/zinc/44/43/38/592444338.db2.gz TWBANLKVGPFLMK-UHFFFAOYSA-N 0 1 229.274 2.338 20 0 BEADMN CN(CCCF)CC(=O)NC1CCCCCC1 ZINC000887136282 592451335 /nfs/dbraw/zinc/45/13/35/592451335.db2.gz OWXOLLPEDYEURI-UHFFFAOYSA-N 0 1 244.354 2.117 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN(C)CCCF ZINC000887136055 592451425 /nfs/dbraw/zinc/45/14/25/592451425.db2.gz ILILSJFWLMDYRI-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN CN(CCCF)CC[S@](=O)c1ccccc1 ZINC000887138925 592453436 /nfs/dbraw/zinc/45/34/36/592453436.db2.gz RMEPTJLPZXJVFV-INIZCTEOSA-N 0 1 243.347 2.086 20 0 BEADMN CN(CCCF)Cc1cccc(F)n1 ZINC000887142599 592460077 /nfs/dbraw/zinc/46/00/77/592460077.db2.gz RRAHGEYKHOODRD-UHFFFAOYSA-N 0 1 200.232 2.012 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1nc(C2CC2)c(C)o1 ZINC000887240245 592470023 /nfs/dbraw/zinc/47/00/23/592470023.db2.gz XPWREVGYJSCLMV-UHFFFAOYSA-N 0 1 246.270 2.144 20 0 BEADMN CC1=NN([C@H]2CC(C)(C)OC2(C)C)C(=O)[C@@H]1C ZINC000887296478 592477908 /nfs/dbraw/zinc/47/79/08/592477908.db2.gz CWZBLRPAXPJPIB-SCZZXKLOSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1[nH]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1C ZINC000887296478 592477910 /nfs/dbraw/zinc/47/79/10/592477910.db2.gz CWZBLRPAXPJPIB-SCZZXKLOSA-N 0 1 238.331 2.187 20 0 BEADMN C[C@@H]1CC[C@@H]2C(=O)N([C@H]3CCCSC3)N=C12 ZINC000887299227 592479048 /nfs/dbraw/zinc/47/90/48/592479048.db2.gz SPYYLKPWEPMGRW-UTLUCORTSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CCc2c1[nH]n([C@H]1CCCSC1)c2=O ZINC000887299227 592479049 /nfs/dbraw/zinc/47/90/49/592479049.db2.gz SPYYLKPWEPMGRW-UTLUCORTSA-N 0 1 238.356 2.126 20 0 BEADMN Cc1nonc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000300362825 592508709 /nfs/dbraw/zinc/50/87/09/592508709.db2.gz PWSCEXBGEWWKSU-KOLCDFICSA-N 0 1 223.320 2.294 20 0 BEADMN CCCCC1(NC(=O)CN(CC)C2CC2)CC1 ZINC000889530330 592618216 /nfs/dbraw/zinc/61/82/16/592618216.db2.gz NGXLWRRZCMUMJI-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CCCCC[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739327769 602766786 /nfs/dbraw/zinc/76/67/86/602766786.db2.gz AEZQJBHYHOACAR-MNOVXSKESA-N 0 1 228.336 2.155 20 0 BEADMN CCCCCC[N@@H+](C)[C@H](C)CNC(=O)[O-] ZINC000739333286 603410394 /nfs/dbraw/zinc/41/03/94/603410394.db2.gz WKMUISSLJWBRBB-SNVBAGLBSA-N 0 1 216.325 2.155 20 0 BEADMN Cc1csc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)[O-])n1 ZINC000309796406 597058663 /nfs/dbraw/zinc/05/86/63/597058663.db2.gz VMBJHJHHPSJWHR-BDAKNGLRSA-N 0 1 240.328 2.062 20 0 BEADMN Cc1csc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)[O-])n1 ZINC000309796410 597058280 /nfs/dbraw/zinc/05/82/80/597058280.db2.gz VMBJHJHHPSJWHR-IUCAKERBSA-N 0 1 240.328 2.062 20 0 BEADMN Cc1csc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)[O-])n1 ZINC000309796410 597058285 /nfs/dbraw/zinc/05/82/85/597058285.db2.gz VMBJHJHHPSJWHR-IUCAKERBSA-N 0 1 240.328 2.062 20 0 BEADMN Cc1csc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)[O-])n1 ZINC000309796406 597058661 /nfs/dbraw/zinc/05/86/61/597058661.db2.gz VMBJHJHHPSJWHR-BDAKNGLRSA-N 0 1 240.328 2.062 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])[C@H]1C ZINC000251612775 597781873 /nfs/dbraw/zinc/78/18/73/597781873.db2.gz CEUXZBZYGBEIPN-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC2(CCC2)C1 ZINC000380385655 597787850 /nfs/dbraw/zinc/78/78/50/597787850.db2.gz RADJGXNRHJRYSV-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])o1 ZINC000035297619 598132202 /nfs/dbraw/zinc/13/22/02/598132202.db2.gz ZBWYSIPEQZKLIC-LLVKDONJSA-N 0 1 223.272 2.027 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCc2cccs2)c1 ZINC000037467175 598218578 /nfs/dbraw/zinc/21/85/78/598218578.db2.gz VWUYCVUSOCDXHY-UHFFFAOYSA-N 0 1 234.280 2.453 20 0 BEADMN CN(Cc1ccco1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000035126585 598218585 /nfs/dbraw/zinc/21/85/85/598218585.db2.gz FLFDQNUYTHVUPA-UHFFFAOYSA-N 0 1 232.239 2.009 20 0 BEADMN CC[C@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000036170198 598218941 /nfs/dbraw/zinc/21/89/41/598218941.db2.gz FWQPRYHLFXZSMT-JTQLQIEISA-N 0 1 234.299 2.406 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000035185216 599997188 /nfs/dbraw/zinc/99/71/88/599997188.db2.gz MLDHAHIAJSBFMG-UHFFFAOYSA-N 0 1 247.216 2.222 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC[C@H]1c1ccco1 ZINC000381158233 600231923 /nfs/dbraw/zinc/23/19/23/600231923.db2.gz QTNMZMLFRLGZJU-JTQLQIEISA-N 0 1 223.272 2.281 20 0 BEADMN CC[C@H]1CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC000070609778 600318698 /nfs/dbraw/zinc/31/86/98/600318698.db2.gz DVGAYTJFJFQYHL-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)(C)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000035298615 600539891 /nfs/dbraw/zinc/53/98/91/600539891.db2.gz YOKKBDMABHTWBE-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCCCCC[N@@H+](CC)CCC(=O)[O-] ZINC000038024926 600712767 /nfs/dbraw/zinc/71/27/67/600712767.db2.gz QJTHFKOWRGFLJC-UHFFFAOYSA-N 0 1 201.310 2.363 20 0 BEADMN C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000049354463 600733960 /nfs/dbraw/zinc/73/39/60/600733960.db2.gz CQRUHVNHCZJOCY-GXFFZTMASA-N 0 1 245.278 2.432 20 0 BEADMN Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)[O-])o1 ZINC000381136940 600968060 /nfs/dbraw/zinc/96/80/60/600968060.db2.gz LXDARMJSJIDXIO-SNVBAGLBSA-N 0 1 223.272 2.200 20 0 BEADMN C/C(=C/C[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000084002833 601156126 /nfs/dbraw/zinc/15/61/26/601156126.db2.gz BPMJVPFYFQWOGZ-WDZFZDKYSA-N 0 1 213.321 2.384 20 0 BEADMN C/C(=C\C[N@H+]1CCC2(CCCC2)C1)C(=O)[O-] ZINC000380868921 601177182 /nfs/dbraw/zinc/17/71/82/601177182.db2.gz HIQAIFSYWKNDIJ-NYYWCZLTSA-N 0 1 223.316 2.283 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)C/C=C(/C)C(=O)[O-] ZINC000086437936 601180761 /nfs/dbraw/zinc/18/07/61/601180761.db2.gz IFJHBWSGFQGDKM-QBQSQJOESA-N 0 1 213.321 2.385 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])[C@H]1c1ccccc1 ZINC000309699209 601221132 /nfs/dbraw/zinc/22/11/32/601221132.db2.gz SGECEKVIDGYQDK-ZWNOBZJWSA-N 0 1 219.284 2.154 20 0 BEADMN Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000706889894 601339420 /nfs/dbraw/zinc/33/94/20/601339420.db2.gz WMRXWDCVBCUXCY-KOLCDFICSA-N 0 1 235.283 2.271 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000706735161 601339459 /nfs/dbraw/zinc/33/94/59/601339459.db2.gz LEUCSKBLERTZMW-STQMWFEESA-N 0 1 231.295 2.369 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000237514584 601498489 /nfs/dbraw/zinc/49/84/89/601498489.db2.gz YNIFITISJMBXOG-GXSJLCMTSA-N 0 1 237.274 2.088 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738817814 601968777 /nfs/dbraw/zinc/96/87/77/601968777.db2.gz FVPZGOBIJUBSFG-LLVKDONJSA-N 0 1 228.336 2.107 20 0 BEADMN CC[C@H]1CCC[N@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000739269792 602182843 /nfs/dbraw/zinc/18/28/43/602182843.db2.gz WFXMZSQGXYBWJE-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000232652623 602206997 /nfs/dbraw/zinc/20/69/97/602206997.db2.gz ZTOGVYPVSPFPTO-UHFFFAOYSA-N 0 1 225.263 2.364 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)s1 ZINC000706964323 602208387 /nfs/dbraw/zinc/20/83/87/602208387.db2.gz JSIINYHMYQIZPA-WPRPVWTQSA-N 0 1 237.324 2.431 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000739014124 602275637 /nfs/dbraw/zinc/27/56/37/602275637.db2.gz ZMVFGUMLIMAQIZ-RRAVTNDYSA-N 0 1 246.738 2.250 20 0 BEADMN C=C(Cl)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000037474457 602346757 /nfs/dbraw/zinc/34/67/57/602346757.db2.gz ORHQFGNMLLAJFF-UHFFFAOYSA-N 0 1 217.696 2.068 20 0 BEADMN C[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739110899 602449882 /nfs/dbraw/zinc/44/98/82/602449882.db2.gz PDLWWBKUOXMQLD-RYUDHWBXSA-N 0 1 240.347 2.108 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739355177 602543050 /nfs/dbraw/zinc/54/30/50/602543050.db2.gz VNUPMXSVENZUTF-LLVKDONJSA-N 0 1 228.336 2.107 20 0 BEADMN CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739237891 602554767 /nfs/dbraw/zinc/55/47/67/602554767.db2.gz PETOVZYEMQOLRS-NWDGAFQWSA-N 0 1 242.363 2.354 20 0 BEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000738940336 602556649 /nfs/dbraw/zinc/55/66/49/602556649.db2.gz RCDULFIXRWRPIL-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[O-] ZINC000740155710 602663380 /nfs/dbraw/zinc/66/33/80/602663380.db2.gz ULTCGEQPBXRUJO-AAEUAGOBSA-N 0 1 246.310 2.281 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000740635949 602679218 /nfs/dbraw/zinc/67/92/18/602679218.db2.gz VYIVMSOPZOSAPB-VXGBXAGGSA-N 0 1 238.331 2.075 20 0 BEADMN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000739586297 602679570 /nfs/dbraw/zinc/67/95/70/602679570.db2.gz QPTXTQZZPWTGID-RYUDHWBXSA-N 0 1 238.331 2.169 20 0 BEADMN CCC[N@@H+](CC)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739359514 602703736 /nfs/dbraw/zinc/70/37/36/602703736.db2.gz XVPLSCVYKQQTHP-LLVKDONJSA-N 0 1 228.336 2.108 20 0 BEADMN CC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739236415 602705181 /nfs/dbraw/zinc/70/51/81/602705181.db2.gz LOKWEVQFPNITGC-GHMZBOCLSA-N 0 1 228.336 2.107 20 0 BEADMN CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739263300 602705545 /nfs/dbraw/zinc/70/55/45/602705545.db2.gz CCZYTGVDNQNCAL-NWDGAFQWSA-N 0 1 240.347 2.251 20 0 BEADMN Cc1ccccc1C[N@@H+]1CCN(C(=O)[O-])C[C@H]1C ZINC000740182201 602738433 /nfs/dbraw/zinc/73/84/33/602738433.db2.gz BQOLDGQZUPLPGU-GFCCVEGCSA-N 0 1 248.326 2.179 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738819843 602768176 /nfs/dbraw/zinc/76/81/76/602768176.db2.gz WITGDDDIKYEOLI-WDEREUQCSA-N 0 1 228.336 2.011 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739182212 602769167 /nfs/dbraw/zinc/76/91/67/602769167.db2.gz VUGIUAQMSPRSPX-CMPLNLGQSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739175711 602772570 /nfs/dbraw/zinc/77/25/70/602772570.db2.gz KMCQYFCWFFSDPT-WOPDTQHZSA-N 0 1 238.331 2.073 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739083532 602800742 /nfs/dbraw/zinc/80/07/42/602800742.db2.gz YCVJMBLSSQWIHQ-GRYCIOLGSA-N 0 1 240.347 2.107 20 0 BEADMN CC[N@@H+](CC1CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739415673 602818595 /nfs/dbraw/zinc/81/85/95/602818595.db2.gz YISCOXVPIGUSEK-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739275047 602975127 /nfs/dbraw/zinc/97/51/27/602975127.db2.gz ZDVKFCMPEVCPBV-VXGBXAGGSA-N 0 1 240.347 2.251 20 0 BEADMN C[N@H+](CCNC(=O)[O-])Cc1ccc(Cl)s1 ZINC000739697146 603082103 /nfs/dbraw/zinc/08/21/03/603082103.db2.gz GVMVOIMEPIXGPK-UHFFFAOYSA-N 0 1 248.735 2.101 20 0 BEADMN C[N@@H+](CCNC(=O)[O-])Cc1ccc(Cl)s1 ZINC000739697146 603082107 /nfs/dbraw/zinc/08/21/07/603082107.db2.gz GVMVOIMEPIXGPK-UHFFFAOYSA-N 0 1 248.735 2.101 20 0 BEADMN C[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739112547 603329650 /nfs/dbraw/zinc/32/96/50/603329650.db2.gz SFPQFXICRZUWPJ-RYUDHWBXSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000738939813 603343182 /nfs/dbraw/zinc/34/31/82/603343182.db2.gz GTRCAGHIESONNJ-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740118551 604381181 /nfs/dbraw/zinc/38/11/81/604381181.db2.gz WGOCLLWETFAAFN-CYBMUJFWSA-N 0 1 248.326 2.145 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1nc2ccccc2o1 ZINC000044620017 604439011 /nfs/dbraw/zinc/43/90/11/604439011.db2.gz SNBYVFASETUMBP-JTQLQIEISA-N 0 1 248.282 2.123 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000044620017 604439012 /nfs/dbraw/zinc/43/90/12/604439012.db2.gz SNBYVFASETUMBP-JTQLQIEISA-N 0 1 248.282 2.123 20 0 BEADMN C[N@@H+](CCCF)[C@H](C(=O)[O-])c1ccccc1 ZINC000714952280 604475837 /nfs/dbraw/zinc/47/58/37/604475837.db2.gz DCTMWLCBPSWFRS-NSHDSACASA-N 0 1 225.263 2.104 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726305 604526307 /nfs/dbraw/zinc/52/63/07/604526307.db2.gz UUPRUWSWOZXALC-ADEWGFFLSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726305 604526311 /nfs/dbraw/zinc/52/63/11/604526311.db2.gz UUPRUWSWOZXALC-ADEWGFFLSA-N 0 1 249.310 2.452 20 0 BEADMN CC(C)CCn1cccc1C[N@@H+](C)CC(=O)[O-] ZINC000819977044 604540593 /nfs/dbraw/zinc/54/05/93/604540593.db2.gz QMVFNSTXASDXIT-UHFFFAOYSA-N 0 1 238.331 2.051 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1CCC(C)CC1)C(=O)[O-] ZINC000084340157 604582439 /nfs/dbraw/zinc/58/24/39/604582439.db2.gz NSOHGFMLHWBJIR-CXQJBGSLSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000083409869 604788487 /nfs/dbraw/zinc/78/84/87/604788487.db2.gz IRPAZOXNTMNWKT-VWYCJHECSA-N 0 1 213.321 2.074 20 0 BEADMN FC(F)CCNCc1cccnc1Cl ZINC001461831629 986186745 /nfs/dbraw/zinc/18/67/45/986186745.db2.gz URRUOFLVQNUXNI-UHFFFAOYSA-N 0 1 220.650 2.480 20 0 BEADMN Cc1[nH+]c(N2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000124129918 634396620 /nfs/dbraw/zinc/39/66/20/634396620.db2.gz XBOZTKYXULHZHP-SECBINFHSA-N 0 1 234.299 2.325 20 0 BEADMN C[C@@H](N[C@@H](C)CCC1CC1)c1nnnn1C1CC1 ZINC000190681065 634479154 /nfs/dbraw/zinc/47/91/54/634479154.db2.gz UEZKVZAXHLZGAS-VHSXEESVSA-N 0 1 249.362 2.237 20 0 BEADMN CCc1ncc(CN2C[C@H](OC)CC[C@@H]2C)o1 ZINC000931475384 634500283 /nfs/dbraw/zinc/50/02/83/634500283.db2.gz SMTGKINOEUYEHY-WDEREUQCSA-N 0 1 238.331 2.236 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(Cl)o2)no1 ZINC000258068674 634561416 /nfs/dbraw/zinc/56/14/16/634561416.db2.gz QGPXCRBNLCJXPQ-YFKPBYRVSA-N 0 1 227.651 2.263 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1ncc(Cl)n1C ZINC000073779653 635354938 /nfs/dbraw/zinc/35/49/38/635354938.db2.gz UTVNGEVFXNKHAK-MRVPVSSYSA-N 0 1 227.739 2.304 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H]1C(C)C ZINC000064517487 635473289 /nfs/dbraw/zinc/47/32/89/635473289.db2.gz JMVKRTMGUCHVQP-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCc1nc(COC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000924244277 635532749 /nfs/dbraw/zinc/53/27/49/635532749.db2.gz FFJGELRXPCVPDK-JTQLQIEISA-N 0 1 249.314 2.157 20 0 BEADMN CS[C@@H]1CCC[C@H](NCc2nonc2C)C1 ZINC000235226259 635570934 /nfs/dbraw/zinc/57/09/34/635570934.db2.gz VJNANYOYAVYAEH-VHSXEESVSA-N 0 1 241.360 2.142 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1cc2ccccc2s1 ZINC000925870057 635579000 /nfs/dbraw/zinc/57/90/00/635579000.db2.gz UDMOUJOUZQMCKH-KOLCDFICSA-N 0 1 248.351 2.455 20 0 BEADMN CCCCC[C@@H](C(=O)N1CCNCC1)C(C)C ZINC000236851963 635608213 /nfs/dbraw/zinc/60/82/13/635608213.db2.gz WDZWBNWTKIYWDF-CYBMUJFWSA-N 0 1 240.391 2.271 20 0 BEADMN COC[C@H]1COCCN1C[C@@H](C)c1ccccc1 ZINC000933335277 631275720 /nfs/dbraw/zinc/27/57/20/631275720.db2.gz MAQXDUQLDWZFRG-HIFRSBDPSA-N 0 1 249.354 2.137 20 0 BEADMN COC[C@@H]1COCCN1C[C@H](C)c1ccccc1 ZINC000933335276 631276235 /nfs/dbraw/zinc/27/62/35/631276235.db2.gz MAQXDUQLDWZFRG-DZGCQCFKSA-N 0 1 249.354 2.137 20 0 BEADMN C[C@@H]1CCCN(Cc2nccn2C2CC2)C1 ZINC000891446162 631318647 /nfs/dbraw/zinc/31/86/47/631318647.db2.gz GBXQEHXNIDFUOP-LLVKDONJSA-N 0 1 219.332 2.450 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000079487280 631365002 /nfs/dbraw/zinc/36/50/02/631365002.db2.gz PQGKGIDUNMUGPF-AWEZNQCLSA-N 0 1 249.310 2.134 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891692656 631449884 /nfs/dbraw/zinc/44/98/84/631449884.db2.gz QHTVHQPIYMGEKI-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CSC[C@@H](C)NCc1c(Cl)c(C)nn1C ZINC000127583098 631453491 /nfs/dbraw/zinc/45/34/91/631453491.db2.gz FXZSGFJWGOBENS-SSDOTTSWSA-N 0 1 247.795 2.223 20 0 BEADMN C[C@H](N)c1nc(-c2nc(C3CC3)no2)cs1 ZINC000085546937 631461044 /nfs/dbraw/zinc/46/10/44/631461044.db2.gz SXYXJROMMODJFH-YFKPBYRVSA-N 0 1 236.300 2.090 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cccc(F)c1O ZINC000933813915 631513534 /nfs/dbraw/zinc/51/35/34/631513534.db2.gz ABEJXUOQGKPICM-MRVPVSSYSA-N 0 1 223.247 2.156 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)cc2OC)no1 ZINC000234424482 631513570 /nfs/dbraw/zinc/51/35/70/631513570.db2.gz FHWWFVNGIOWAPI-VIFPVBQESA-N 0 1 247.298 2.334 20 0 BEADMN CC(C)NCc1cn([C@@H](C)c2ccccc2)nn1 ZINC000090297095 631526778 /nfs/dbraw/zinc/52/67/78/631526778.db2.gz FVVAREHKSHRNKI-LBPRGKRZSA-N 0 1 244.342 2.385 20 0 BEADMN FCCNCc1cccc2c1NCCC2 ZINC000308810555 631529557 /nfs/dbraw/zinc/52/95/57/631529557.db2.gz QBQPQRGWTSXCLE-UHFFFAOYSA-N 0 1 208.280 2.104 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]1CO ZINC000934012058 631588784 /nfs/dbraw/zinc/58/87/84/631588784.db2.gz OXIFABXGOMZPJX-BXKDBHETSA-N 0 1 225.719 2.468 20 0 BEADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]1CO ZINC000934025200 631601255 /nfs/dbraw/zinc/60/12/55/631601255.db2.gz ZOCHHFUOIAKGCV-CHWSQXEVSA-N 0 1 223.291 2.343 20 0 BEADMN CC(C)N(CCS(=O)(=O)C(C)C)C1CCC1 ZINC000178717091 635669170 /nfs/dbraw/zinc/66/91/70/635669170.db2.gz KIXYEIKSUVSGJB-UHFFFAOYSA-N 0 1 247.404 2.073 20 0 BEADMN CC[N@@H+](CCSC(C)(C)C)CCC(=O)[O-] ZINC000308789873 631648497 /nfs/dbraw/zinc/64/84/97/631648497.db2.gz HULZTBOLJFVFIP-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN CC1(CCC(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000934232949 631739458 /nfs/dbraw/zinc/73/94/58/631739458.db2.gz HAMSCWUVASIVGH-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN Cc1cncc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000934277589 631758184 /nfs/dbraw/zinc/75/81/84/631758184.db2.gz QWGGQAPBNRGSKG-CYBMUJFWSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cncc(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000934277589 631758188 /nfs/dbraw/zinc/75/81/88/631758188.db2.gz QWGGQAPBNRGSKG-CYBMUJFWSA-N 0 1 247.342 2.201 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000158223690 631839259 /nfs/dbraw/zinc/83/92/59/631839259.db2.gz PDRBHGZPDDDPDT-SRVKXCTJSA-N 0 1 227.348 2.306 20 0 BEADMN O[C@@H]1CCN(CC/C=C\c2ccccc2)C[C@@H]1F ZINC000934565482 631932169 /nfs/dbraw/zinc/93/21/69/631932169.db2.gz LVZGRRXENJBFJI-FEDKZRLMSA-N 0 1 249.329 2.495 20 0 BEADMN CCCCCCN1CCC[C@H]1C(=O)OC ZINC000050048194 631936474 /nfs/dbraw/zinc/93/64/74/631936474.db2.gz TZYSUTFFKUWJCQ-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN O[C@@H]1CCN([C@@H]2CCCc3ccccc32)C[C@@H]1F ZINC000934576944 631948839 /nfs/dbraw/zinc/94/88/39/631948839.db2.gz SWQFEWBCSAFWRU-RRFJBIMHSA-N 0 1 249.329 2.469 20 0 BEADMN C[C@H](c1ccccc1)N1CC[C@@H](O)[C@H](F)C1 ZINC000934578010 631950178 /nfs/dbraw/zinc/95/01/78/631950178.db2.gz YRORQBGYDXEBIR-RAIGVLPGSA-N 0 1 223.291 2.152 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H]1CCCSC1 ZINC000926432786 632020007 /nfs/dbraw/zinc/02/00/07/632020007.db2.gz XAMYVSVATDWHLN-WCBMZHEXSA-N 0 1 241.360 2.172 20 0 BEADMN FCCN1CC[C@H](Nc2ccccc2)C1 ZINC000308875023 632044894 /nfs/dbraw/zinc/04/48/94/632044894.db2.gz MXFBJPYRTSQYES-LBPRGKRZSA-N 0 1 208.280 2.142 20 0 BEADMN C[C@@H](C[C@H]1CCOC1)NC(C)(C)C(F)F ZINC000308882702 632077277 /nfs/dbraw/zinc/07/72/77/632077277.db2.gz UVPNWGYZMCKKEZ-DTWKUNHWSA-N 0 1 221.291 2.435 20 0 BEADMN CS/C=C/c1nc(C2(N)CCCC2)no1 ZINC000309472960 632101576 /nfs/dbraw/zinc/10/15/76/632101576.db2.gz RIVFABJKVKIELW-QPJJXVBHSA-N 0 1 225.317 2.131 20 0 BEADMN CC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC=CC1 ZINC000934898080 632131248 /nfs/dbraw/zinc/13/12/48/632131248.db2.gz TYHIBGIOSUAKKB-NSHDSACASA-N 0 1 245.326 2.260 20 0 BEADMN CC[C@@H]1CCCN(CN2CCSC2=O)C1 ZINC000126254901 635723008 /nfs/dbraw/zinc/72/30/08/635723008.db2.gz CWGGNADODFNYTN-SNVBAGLBSA-N 0 1 228.361 2.235 20 0 BEADMN C[C@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)C=CCC1 ZINC000934896844 632131831 /nfs/dbraw/zinc/13/18/31/632131831.db2.gz CSNNKPLXHUHVCW-FZMZJTMJSA-N 0 1 245.326 2.260 20 0 BEADMN Cn1ccnc1CN[C@@H]1CCOC12CCCCC2 ZINC000924937879 635790322 /nfs/dbraw/zinc/79/03/22/635790322.db2.gz FGQPOLPFNLOZND-GFCCVEGCSA-N 0 1 249.358 2.002 20 0 BEADMN O=c1cc(CN2CCC3(CCCC3)C2)occ1O ZINC000743864020 632397263 /nfs/dbraw/zinc/39/72/63/632397263.db2.gz SBTQGNIGGVRQRO-UHFFFAOYSA-N 0 1 249.310 2.112 20 0 BEADMN OC[C@@]1(NC/C=C\Cl)CCc2ccccc21 ZINC000309493587 632420468 /nfs/dbraw/zinc/42/04/68/632420468.db2.gz JLQAOVRQOAEVNO-SYAFZNNESA-N 0 1 237.730 2.163 20 0 BEADMN CS[C@@H]1CCC[C@@H](NCc2ncccn2)C1 ZINC000235170579 632426258 /nfs/dbraw/zinc/42/62/58/632426258.db2.gz NPVHKCICOPRUGI-GHMZBOCLSA-N 0 1 237.372 2.240 20 0 BEADMN CCn1cc([C@H](C)N[C@@H](C)c2ccnnc2)cn1 ZINC000926542435 632465102 /nfs/dbraw/zinc/46/51/02/632465102.db2.gz NDWNCCRAUTUJHV-QWRGUYRKSA-N 0 1 245.330 2.105 20 0 BEADMN CO[C@@H](CNCc1ccsc1)C(F)(F)F ZINC000308931436 632500707 /nfs/dbraw/zinc/50/07/07/632500707.db2.gz JPULJFLTWUMYFG-QMMMGPOBSA-N 0 1 239.262 2.415 20 0 BEADMN Cc1nonc1CN[C@@H](C)CCC(F)(F)F ZINC000309659694 632624291 /nfs/dbraw/zinc/62/42/91/632624291.db2.gz BDZFRTYUXLGJJA-LURJTMIESA-N 0 1 237.225 2.199 20 0 BEADMN COc1c(C)cc(CNCCF)cc1C ZINC000309086017 632635244 /nfs/dbraw/zinc/63/52/44/632635244.db2.gz XRGXCVUDAYTHQQ-UHFFFAOYSA-N 0 1 211.280 2.371 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCC2(CCCC2)C1 ZINC000309128449 632642190 /nfs/dbraw/zinc/64/21/90/632642190.db2.gz BQFNJEXKGZGKER-LLVKDONJSA-N 0 1 223.316 2.116 20 0 BEADMN CSC1(C[N@H+]2CCC[C@H]2CC(=O)[O-])CCC1 ZINC000309136566 632645226 /nfs/dbraw/zinc/64/52/26/632645226.db2.gz KMMKFHKFVPJYOH-JTQLQIEISA-N 0 1 243.372 2.211 20 0 BEADMN CCCCCCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000176985262 632676616 /nfs/dbraw/zinc/67/66/16/632676616.db2.gz FHJKPLFQUSXHMR-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000177065916 632714571 /nfs/dbraw/zinc/71/45/71/632714571.db2.gz YEHULXGDEHCKKX-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CC(=CC(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000255772745 632729038 /nfs/dbraw/zinc/72/90/38/632729038.db2.gz PCINIKNVFZXTIW-HJWRWDBZSA-N 0 1 242.282 2.155 20 0 BEADMN CC(=CC(=O)Nc1nc(C)n[nH]1)c1ccccc1 ZINC000255772745 632729041 /nfs/dbraw/zinc/72/90/41/632729041.db2.gz PCINIKNVFZXTIW-HJWRWDBZSA-N 0 1 242.282 2.155 20 0 BEADMN C[C@@H](NC1CC2(CCC2)C1)c1cc(CO)on1 ZINC000926659159 632783218 /nfs/dbraw/zinc/78/32/18/632783218.db2.gz FKHUOWGLXKFMIQ-SECBINFHSA-N 0 1 236.315 2.150 20 0 BEADMN Cc1nonc1[C@H](C)NC1CC2(CCC2)C1 ZINC000926664495 632790816 /nfs/dbraw/zinc/79/08/16/632790816.db2.gz ZYZSKIGLFJRDSC-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN CC(C)CN(C)Cn1c2ccccc2oc1=O ZINC000065943713 632805002 /nfs/dbraw/zinc/80/50/02/632805002.db2.gz ANFZQFVLVNTUQD-UHFFFAOYSA-N 0 1 234.299 2.140 20 0 BEADMN C[C@H]1C[C@H](NCCc2cccs2)c2ncnn21 ZINC000924550718 632818562 /nfs/dbraw/zinc/81/85/62/632818562.db2.gz AXIHOJULRDCTSE-ONGXEEELSA-N 0 1 248.355 2.178 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cs1 ZINC000309251396 632842011 /nfs/dbraw/zinc/84/20/11/632842011.db2.gz BKBWKZUMLOUUML-LBPRGKRZSA-N 0 1 239.340 2.496 20 0 BEADMN C[C@@H](CCC(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000935596588 632850549 /nfs/dbraw/zinc/85/05/49/632850549.db2.gz NQJLXGNSLBQZEX-JTQLQIEISA-N 0 1 244.298 2.327 20 0 BEADMN CC(C)=CC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000155087658 632851246 /nfs/dbraw/zinc/85/12/46/632851246.db2.gz GGHAHAZRLKCPHU-UHFFFAOYSA-N 0 1 243.310 2.454 20 0 BEADMN CC[C@H](Cc1ccccc1)C(=O)Nc1c[nH]nn1 ZINC000935596646 632851813 /nfs/dbraw/zinc/85/18/13/632851813.db2.gz PBAURLZRUPMKLJ-LLVKDONJSA-N 0 1 244.298 2.012 20 0 BEADMN Cl/C=C(\Cl)CSc1cn[nH]n1 ZINC000178057379 632935441 /nfs/dbraw/zinc/93/54/41/632935441.db2.gz DWRWVFCSPDALFP-RJRFIUFISA-N 0 1 210.089 2.216 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cc(F)cc(F)c1O ZINC000935736743 632969112 /nfs/dbraw/zinc/96/91/12/632969112.db2.gz HBVVFPJVKMHWFJ-KNVOCYPGSA-N 0 1 241.237 2.293 20 0 BEADMN Cc1nnc([C@H](C)NCCCCCCO)s1 ZINC000309375679 632990833 /nfs/dbraw/zinc/99/08/33/632990833.db2.gz COPLCSMPERHLBF-VIFPVBQESA-N 0 1 243.376 2.050 20 0 BEADMN C[C@H](NC/C=C\c1ccccc1)c1cnnn1C ZINC000925049255 635871933 /nfs/dbraw/zinc/87/19/33/635871933.db2.gz GYKSTRHBNHMQFS-PWWFUAJNSA-N 0 1 242.326 2.179 20 0 BEADMN CCN(CCS(=O)(=O)C(C)C)[C@@H](C)C(C)C ZINC000178216245 633039121 /nfs/dbraw/zinc/03/91/21/633039121.db2.gz JWZXYTFWERRIMV-LBPRGKRZSA-N 0 1 249.420 2.176 20 0 BEADMN C[C@@H]1CCCN1CCNc1ncncc1Cl ZINC000309417831 633040803 /nfs/dbraw/zinc/04/08/03/633040803.db2.gz JLJVCYCKHAPXQR-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccoc2)[nH]n1 ZINC000309458660 633090461 /nfs/dbraw/zinc/09/04/61/633090461.db2.gz NHFLFBSHFTVCOG-SECBINFHSA-N 0 1 219.288 2.416 20 0 BEADMN COc1ccc(-c2cc([C@@H](C)N)on2)cc1 ZINC000167165208 633125118 /nfs/dbraw/zinc/12/51/18/633125118.db2.gz WTHCDRVZGULGGP-MRVPVSSYSA-N 0 1 218.256 2.370 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928432347 635920394 /nfs/dbraw/zinc/92/03/94/635920394.db2.gz JGWXBUHZGFRXHX-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN CCN(CC(=O)NC)Cc1ccc(C(C)C)cc1 ZINC000056510180 633229961 /nfs/dbraw/zinc/22/99/61/633229961.db2.gz WMOSIBMBUIBFSQ-UHFFFAOYSA-N 0 1 248.370 2.378 20 0 BEADMN CC1(C)CCC[C@H]1NCc1cnsn1 ZINC000306860921 635976320 /nfs/dbraw/zinc/97/63/20/635976320.db2.gz GOZRLFSWYNDTET-SECBINFHSA-N 0 1 211.334 2.206 20 0 BEADMN CSc1ccc(CN2C[C@@H](O)CC[C@@H]2C)o1 ZINC000895034847 636017861 /nfs/dbraw/zinc/01/78/61/636017861.db2.gz WUFKBBLRDFRIKC-UWVGGRQHSA-N 0 1 241.356 2.347 20 0 BEADMN CC(C)N(C)Cc1cc(Br)nn1C ZINC000307108943 635982407 /nfs/dbraw/zinc/98/24/07/635982407.db2.gz KFOZMFIUOUBAHH-UHFFFAOYSA-N 0 1 246.152 2.023 20 0 BEADMN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC000928458830 635999064 /nfs/dbraw/zinc/99/90/64/635999064.db2.gz YHCBEOMQLMHSJT-TZMCWYRMSA-N 0 1 246.354 2.126 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)NC[C@@H]1CCN1C ZINC000928553115 636088283 /nfs/dbraw/zinc/08/82/83/636088283.db2.gz DSVFSMMOXYHMRJ-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)NC[C@@H]1CCN1C ZINC000928553108 636088484 /nfs/dbraw/zinc/08/84/84/636088484.db2.gz DSVFSMMOXYHMRJ-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@H]1CNC(=O)CCCCC(C)(C)C ZINC000928554773 636091042 /nfs/dbraw/zinc/09/10/42/636091042.db2.gz JHESSYQJCCKVRX-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@@H](CC)C(=O)NC[C@H]1CCN1C ZINC000928554672 636091726 /nfs/dbraw/zinc/09/17/26/636091726.db2.gz JZLNUDNOXHRBCQ-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccccc1 ZINC000895439959 636143173 /nfs/dbraw/zinc/14/31/73/636143173.db2.gz OLDBUPZUGCAFSN-CYBMUJFWSA-N 0 1 246.354 2.176 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1c1nc(C)cc(N)n1 ZINC000893093654 633828189 /nfs/dbraw/zinc/82/81/89/633828189.db2.gz ZBTSCTATIZIMGC-ZJUUUORDSA-N 0 1 220.320 2.135 20 0 BEADMN Cc1cc(N)nc(N2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000893121149 633841391 /nfs/dbraw/zinc/84/13/91/633841391.db2.gz NWJNCONUOCBRNR-HZMBPMFUSA-N 0 1 246.358 2.384 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000893121151 633842173 /nfs/dbraw/zinc/84/21/73/633842173.db2.gz NWJNCONUOCBRNR-QMTHXVAHSA-N 0 1 246.358 2.384 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1cccnc1Cl ZINC000309968481 633997781 /nfs/dbraw/zinc/99/77/81/633997781.db2.gz OKNWCUACPMVCDU-GHMZBOCLSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1ncoc1CNC1(C)CC(F)(F)C1 ZINC000895477569 636150036 /nfs/dbraw/zinc/15/00/36/636150036.db2.gz NZRSGCRTRGGECQ-UHFFFAOYSA-N 0 1 216.231 2.260 20 0 BEADMN CCOCCN[C@@H](C)c1c(CC)noc1C ZINC000309985623 634034915 /nfs/dbraw/zinc/03/49/15/634034915.db2.gz YDHRHSPNMGLHGT-VIFPVBQESA-N 0 1 226.320 2.233 20 0 BEADMN CCOc1cncc(CN2CC[C@@H](CF)C2)c1 ZINC000895568121 636159346 /nfs/dbraw/zinc/15/93/46/636159346.db2.gz MOIZQSQNMRIJFQ-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN Cc1noc2ncc(CN3CC[C@@H](CF)C3)cc12 ZINC000895569748 636160840 /nfs/dbraw/zinc/16/08/40/636160840.db2.gz ZSWJAUYTJMGLQC-JTQLQIEISA-N 0 1 249.289 2.323 20 0 BEADMN CCC1(CC)CCN(CN2CCCC2=O)CC1 ZINC000186110928 634068167 /nfs/dbraw/zinc/06/81/67/634068167.db2.gz XYVVFYVQAOYOFW-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(C)cc(F)c2)no1 ZINC000162479570 634181470 /nfs/dbraw/zinc/18/14/70/634181470.db2.gz LGSSBXVCCKUXHM-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN CC/C=C/CCN[C@@H](C)c1nnnn1C1CC1 ZINC000191505735 634213940 /nfs/dbraw/zinc/21/39/40/634213940.db2.gz UFFJVTRGWKNFSJ-YEZKRMTDSA-N 0 1 235.335 2.015 20 0 BEADMN Cc1nccc(NCc2cccn2C)c1Cl ZINC000390514106 634236023 /nfs/dbraw/zinc/23/60/23/634236023.db2.gz CNILDHAGEIOYPL-UHFFFAOYSA-N 0 1 235.718 2.416 20 0 BEADMN C[C@H](NCCOC1CCC1)c1ccco1 ZINC000053589889 634258620 /nfs/dbraw/zinc/25/86/20/634258620.db2.gz NEKUHEQZJRDKOA-JTQLQIEISA-N 0 1 209.289 2.499 20 0 BEADMN CC(C)=CCCN1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931310859 634325113 /nfs/dbraw/zinc/32/51/13/634325113.db2.gz AZQNXAYQXFOOQC-UHFFFAOYSA-N 0 1 233.315 2.163 20 0 BEADMN Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCCC1CCC1)C2 ZINC000931311586 634328221 /nfs/dbraw/zinc/32/82/21/634328221.db2.gz KHDXWMQEMZVWRC-UHFFFAOYSA-N 0 1 247.342 2.387 20 0 BEADMN Cc1nc2c(c(=O)[nH]1)CN(CCCC1CCC1)C2 ZINC000931311586 634328226 /nfs/dbraw/zinc/32/82/26/634328226.db2.gz KHDXWMQEMZVWRC-UHFFFAOYSA-N 0 1 247.342 2.387 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CCC=CO2)CCO1 ZINC000194831131 634335806 /nfs/dbraw/zinc/33/58/06/634335806.db2.gz XEEVQQRIQLTIDN-QWHCGFSZSA-N 0 1 225.332 2.180 20 0 BEADMN CCC[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000195016484 634345937 /nfs/dbraw/zinc/34/59/37/634345937.db2.gz OPVQGWZEQOSHDY-UHFFFAOYSA-N 0 1 247.294 2.340 20 0 BEADMN CCC[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000195016484 634345941 /nfs/dbraw/zinc/34/59/41/634345941.db2.gz OPVQGWZEQOSHDY-UHFFFAOYSA-N 0 1 247.294 2.340 20 0 BEADMN CC(C)Cc1ccc(CN(C)C2CC(O)C2)cn1 ZINC000893581403 635183830 /nfs/dbraw/zinc/18/38/30/635183830.db2.gz XNKCVWIQAHKPFA-UHFFFAOYSA-N 0 1 248.370 2.235 20 0 BEADMN CCc1onc(C)c1CN(C)CCCF ZINC000931763679 635324990 /nfs/dbraw/zinc/32/49/90/635324990.db2.gz JVHQIWXFABUHCT-UHFFFAOYSA-N 0 1 214.284 2.337 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235657072 635583471 /nfs/dbraw/zinc/58/34/71/635583471.db2.gz YHVBLUMCWDVSQE-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)CCC(=O)NCc1cc(N(C)C)ccn1 ZINC000927708343 635695199 /nfs/dbraw/zinc/69/51/99/635695199.db2.gz PUEIVLUPXAJDIJ-UHFFFAOYSA-N 0 1 249.358 2.200 20 0 BEADMN CCc1nc(CN[C@@H](C)C(C)(C)CO)cs1 ZINC000924997670 635836003 /nfs/dbraw/zinc/83/60/03/635836003.db2.gz HDDHRABNJGHQOY-VIFPVBQESA-N 0 1 242.388 2.202 20 0 BEADMN Cc1cc(C)c(C(=O)NC[C@H]2CCN2C)c(C)c1 ZINC000928555243 636092074 /nfs/dbraw/zinc/09/20/74/636092074.db2.gz MNCLCWWEMLQLIT-CYBMUJFWSA-N 0 1 246.354 2.046 20 0 BEADMN COCC1CN(Cc2ccc(C)c(OC)c2)C1 ZINC000895970567 636184657 /nfs/dbraw/zinc/18/46/57/636184657.db2.gz ZLGPORMOYYCNRQ-UHFFFAOYSA-N 0 1 235.327 2.082 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)Cc1cnc[nH]1 ZINC000909566634 636255423 /nfs/dbraw/zinc/25/54/23/636255423.db2.gz IZHIHPRAZHOSLQ-GXFFZTMASA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)n1cc(CN[C@H](C)Cc2ccco2)nn1 ZINC000310630720 636268814 /nfs/dbraw/zinc/26/88/14/636268814.db2.gz MPTYQRUXRVMPOR-LLVKDONJSA-N 0 1 248.330 2.173 20 0 BEADMN COC[C@@H](N[C@H](C)c1cc(OC)no1)C(C)C ZINC000925139976 636271032 /nfs/dbraw/zinc/27/10/32/636271032.db2.gz NTWMDGSDMFIWKJ-NXEZZACHSA-N 0 1 242.319 2.005 20 0 BEADMN CC[C@H](C[C@@H](C)CO)N[C@H](C)c1ncco1 ZINC000925186609 636364097 /nfs/dbraw/zinc/36/40/97/636364097.db2.gz FINTURKMPNPUDI-GMTAPVOTSA-N 0 1 226.320 2.122 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H](C)c1ccncc1 ZINC000925227398 636431506 /nfs/dbraw/zinc/43/15/06/636431506.db2.gz ZEQBZKPQMZVARV-UWVGGRQHSA-N 0 1 246.314 2.227 20 0 BEADMN COC(OC)[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000079585216 636444233 /nfs/dbraw/zinc/44/42/33/636444233.db2.gz QKTZJTXNQJWASK-MRVPVSSYSA-N 0 1 245.269 2.062 20 0 BEADMN CC1=CC[C@H](NCc2noc3c2COCC3)CC1 ZINC000897366879 636494495 /nfs/dbraw/zinc/49/44/95/636494495.db2.gz QNFYNWGGTFDHOL-NSHDSACASA-N 0 1 248.326 2.336 20 0 BEADMN CC[C@H]1CC[C@@H]1NCc1noc2c1COCC2 ZINC000897366706 636496077 /nfs/dbraw/zinc/49/60/77/636496077.db2.gz ORVVFPZBFXDDHK-ONGXEEELSA-N 0 1 236.315 2.026 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897503853 636729537 /nfs/dbraw/zinc/72/95/37/636729537.db2.gz RYMIIZDXLVSWHV-NWDGAFQWSA-N 0 1 236.315 2.030 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CCNCc1nccs1 ZINC000897539119 636788978 /nfs/dbraw/zinc/78/89/78/636788978.db2.gz OJYFZVZALXUFSV-GHMZBOCLSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)C1CC1 ZINC000897888535 636845875 /nfs/dbraw/zinc/84/58/75/636845875.db2.gz CRIXTUFXQPKITQ-RKDXNWHRSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@@H](NC1CC2(C1)CCCC2)c1cn(C)nn1 ZINC000926902086 636935602 /nfs/dbraw/zinc/93/56/02/636935602.db2.gz UYRVNEVKIXMEKX-SNVBAGLBSA-N 0 1 234.347 2.189 20 0 BEADMN CCC[C@H](O)CCN[C@@H](C)c1cc(C)on1 ZINC000927015052 636990300 /nfs/dbraw/zinc/99/03/00/636990300.db2.gz FGNFFXSKYQUVPT-QWRGUYRKSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CCCC2)nc(C)n1 ZINC000041574215 637010182 /nfs/dbraw/zinc/01/01/82/637010182.db2.gz JHTYRJHMTCGHOB-GFCCVEGCSA-N 0 1 243.310 2.460 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000898662057 637052811 /nfs/dbraw/zinc/05/28/11/637052811.db2.gz LNEAAKSFTCMOOB-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CCn1cc(CN2CCC[C@@H](C3CCC3)C2)nn1 ZINC000899886435 637147389 /nfs/dbraw/zinc/14/73/89/637147389.db2.gz SDLUFJDKAFRPHH-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN C/C=C/C[C@@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC000899886289 637148689 /nfs/dbraw/zinc/14/86/89/637148689.db2.gz OKQVFNGAMZWHHQ-MASHWEEQSA-N 0 1 248.374 2.476 20 0 BEADMN CC1(C)CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000901025985 637227947 /nfs/dbraw/zinc/22/79/47/637227947.db2.gz MAKRRZWTGUGISR-NSHDSACASA-N 0 1 235.331 2.037 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000042416975 637239355 /nfs/dbraw/zinc/23/93/55/637239355.db2.gz LDKZYRMWAYXRDP-SECBINFHSA-N 0 1 238.287 2.137 20 0 BEADMN C[N@@H+](CC(=O)[O-])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000901575440 637267630 /nfs/dbraw/zinc/26/76/30/637267630.db2.gz PXRGRSFBVPPXBD-TZMCWYRMSA-N 0 1 233.311 2.197 20 0 BEADMN Cc1ccc([C@H](C)C[N@@H+](C)CC(=O)[O-])cc1 ZINC000901575315 637267891 /nfs/dbraw/zinc/26/78/91/637267891.db2.gz NZWXSHFGTSJVHJ-LLVKDONJSA-N 0 1 221.300 2.115 20 0 BEADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1nccn1C ZINC000903202955 637353229 /nfs/dbraw/zinc/35/32/29/637353229.db2.gz HBIPWNRSQNIHOD-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1nccs1 ZINC000903437890 637362853 /nfs/dbraw/zinc/36/28/53/637362853.db2.gz RBCGSWFMAJUUMW-JMJZKYOTSA-N 0 1 238.356 2.219 20 0 BEADMN CCC(CC)Cn1cc(CNC(C)C)nn1 ZINC000128903836 637389732 /nfs/dbraw/zinc/38/97/32/637389732.db2.gz XBBSZXKNBZTGLB-UHFFFAOYSA-N 0 1 224.352 2.212 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n1 ZINC000904500076 637427902 /nfs/dbraw/zinc/42/79/02/637427902.db2.gz JKGLBNVGXTXRIX-DOUOGLJNSA-N 0 1 247.342 2.485 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)n1 ZINC000904500075 637428188 /nfs/dbraw/zinc/42/81/88/637428188.db2.gz JKGLBNVGXTXRIX-AFTWZWCASA-N 0 1 247.342 2.485 20 0 BEADMN c1cc2[nH]nnc2c(-c2nc(C3CCC3)no2)c1 ZINC000904868440 637514088 /nfs/dbraw/zinc/51/40/88/637514088.db2.gz JDDWQZKNCIAQJA-UHFFFAOYSA-N 0 1 241.254 2.275 20 0 BEADMN CC(C)Cn1cc(CN(C)C(C)(C)C)nn1 ZINC000905057107 637594392 /nfs/dbraw/zinc/59/43/92/637594392.db2.gz NWAGVBZOVLXMHV-UHFFFAOYSA-N 0 1 224.352 2.164 20 0 BEADMN Cc1cccc([C@H](C)[S@@](=O)Cc2c[nH]nn2)c1 ZINC000905190238 637669246 /nfs/dbraw/zinc/66/92/46/637669246.db2.gz PXETVANHLPBXFQ-BTDLBPIBSA-N 0 1 249.339 2.123 20 0 BEADMN CCCC(CCC)[S@](=O)Cc1c[nH]nn1 ZINC000905164352 637676140 /nfs/dbraw/zinc/67/61/40/637676140.db2.gz DNODSGWCPCASKI-OAHLLOKOSA-N 0 1 229.349 2.022 20 0 BEADMN CC1(C[S@](=O)Cc2c[nH]nn2)CCCCC1 ZINC000905170893 637681741 /nfs/dbraw/zinc/68/17/41/637681741.db2.gz LUGGRJHDNRFURD-MRXNPFEDSA-N 0 1 241.360 2.024 20 0 BEADMN C[N@@H+](CCCCF)[C@H](C(=O)[O-])c1ccccc1 ZINC000905368791 637789658 /nfs/dbraw/zinc/78/96/58/637789658.db2.gz AVMJCTXJMBMLJV-LBPRGKRZSA-N 0 1 239.290 2.494 20 0 BEADMN Cc1nsc(C)c1C[N@@H+](CC(=O)[O-])C(C)C ZINC000905369751 637791966 /nfs/dbraw/zinc/79/19/66/637791966.db2.gz ODGGOHSHRHDTBD-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN Cc1nsc(C)c1C[N@H+](CC(=O)[O-])C(C)C ZINC000905369751 637791967 /nfs/dbraw/zinc/79/19/67/637791967.db2.gz ODGGOHSHRHDTBD-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@@H](O)CNCc1nsc2ccccc12 ZINC000905458901 637823186 /nfs/dbraw/zinc/82/31/86/637823186.db2.gz ZKQNSHLMFKJYTC-SECBINFHSA-N 0 1 236.340 2.157 20 0 BEADMN O=C(CCc1cnc[nH]1)NC[C@]12C[C@H]1CCCC2 ZINC000927439082 637887709 /nfs/dbraw/zinc/88/77/09/637887709.db2.gz YWCFWLFSWJLNAV-RISCZKNCSA-N 0 1 247.342 2.039 20 0 BEADMN C[C@@H]1CCCCN1CC[S@@](=O)C(F)(F)F ZINC000905874873 637958117 /nfs/dbraw/zinc/95/81/17/637958117.db2.gz OCRFEKJVJMSMOP-ANRSDYALSA-N 0 1 243.294 2.129 20 0 BEADMN C[C@@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000905975832 637993215 /nfs/dbraw/zinc/99/32/15/637993215.db2.gz VSDPGOLCKLBQQH-PRHODGIISA-N 0 1 227.254 2.092 20 0 BEADMN CC[C@](O)(CN1CC(C)(CC)C1)C(F)(F)F ZINC000905955193 638003185 /nfs/dbraw/zinc/00/31/85/638003185.db2.gz GGAKKYULXRAWIL-JTQLQIEISA-N 0 1 239.281 2.422 20 0 BEADMN CCOc1cccc(-c2cnc(CNC)nc2)c1 ZINC000906172239 638086186 /nfs/dbraw/zinc/08/61/86/638086186.db2.gz PPKHTOKRHYSHKM-UHFFFAOYSA-N 0 1 243.310 2.262 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2cn(C3CC3)nn2)C1 ZINC000906274393 638126424 /nfs/dbraw/zinc/12/64/24/638126424.db2.gz SPEKVMHIRNEKOV-LLVKDONJSA-N 0 1 234.347 2.091 20 0 BEADMN CN(Cc1cn(C2CC2)nn1)C[C@H]1CC=CCC1 ZINC000906283311 638126541 /nfs/dbraw/zinc/12/65/41/638126541.db2.gz MWEPMIGUAGAWAI-LBPRGKRZSA-N 0 1 246.358 2.401 20 0 BEADMN CCN(Cc1cn(C2CC2)nn1)[C@H](C)C(C)C ZINC000906261546 638128879 /nfs/dbraw/zinc/12/88/79/638128879.db2.gz LWHSTSBYIXFDET-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN CCC(C)(C)N(C)Cc1cn(C2CC2)nn1 ZINC000906302557 638136778 /nfs/dbraw/zinc/13/67/78/638136778.db2.gz NKTHENAMNOWIHJ-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN CC[C@H](C)N(CC)Cc1cn(C2CC2)nn1 ZINC000906312918 638141710 /nfs/dbraw/zinc/14/17/10/638141710.db2.gz GBQUPMADDVADQU-JTQLQIEISA-N 0 1 222.336 2.233 20 0 BEADMN CCCC[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000906532036 638200342 /nfs/dbraw/zinc/20/03/42/638200342.db2.gz WXTZZDDVXIUASA-QWHCGFSZSA-N 0 1 209.333 2.430 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)Cc2cnc[nH]2)[C@H]1C ZINC000907924206 638514788 /nfs/dbraw/zinc/51/47/88/638514788.db2.gz IFQZJLKBUGDAFS-GRYCIOLGSA-N 0 1 249.358 2.141 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1CC(=O)[O-] ZINC000722604214 711455377 /nfs/dbraw/zinc/45/53/77/711455377.db2.gz PNEWUTALYPLTNC-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722648442 711462979 /nfs/dbraw/zinc/46/29/79/711462979.db2.gz KWXICNKTVFFWJI-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC000908564265 639017889 /nfs/dbraw/zinc/01/78/89/639017889.db2.gz IWSMIGAKNRRLLV-NSHDSACASA-N 0 1 235.331 2.203 20 0 BEADMN CCCC=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908698391 639048864 /nfs/dbraw/zinc/04/88/64/639048864.db2.gz XXWBSNYEJZIZBV-YWEYNIOJSA-N 0 1 230.271 2.253 20 0 BEADMN CC(C)(C)C=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908699653 639051678 /nfs/dbraw/zinc/05/16/78/639051678.db2.gz GFUOYSOHXOGQEO-BQYQJAHWSA-N 0 1 244.298 2.499 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)[C@@H]1C(C)C ZINC000909052757 639131934 /nfs/dbraw/zinc/13/19/34/639131934.db2.gz SMKCWSGDAHODBE-GXTWGEPZSA-N 0 1 249.358 2.091 20 0 BEADMN O=C(NC1(C2CCC2)CCC1)c1[nH]ncc1F ZINC000909917532 639258597 /nfs/dbraw/zinc/25/85/97/639258597.db2.gz ISLNGOXJOAVXEK-UHFFFAOYSA-N 0 1 237.278 2.001 20 0 BEADMN CCC[C@@H](NC(=O)Cc1cnc[nH]1)C1CCC1 ZINC000909930692 639280893 /nfs/dbraw/zinc/28/08/93/639280893.db2.gz UBGSOUQMSDUHJY-GFCCVEGCSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])C2)[nH+]1 ZINC000910397268 639427869 /nfs/dbraw/zinc/42/78/69/639427869.db2.gz LGDTUGPMYAWJHA-WDEREUQCSA-N 0 1 234.299 2.445 20 0 BEADMN C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H](C)C(=O)[O-] ZINC000910430336 639447497 /nfs/dbraw/zinc/44/74/97/639447497.db2.gz HYKWKDXPHDXAKG-RKDXNWHRSA-N 0 1 247.298 2.094 20 0 BEADMN C[C@H](CCC(=O)[O-])Nc1[nH+]c2ccccc2n1C ZINC000910437366 639459122 /nfs/dbraw/zinc/45/91/22/639459122.db2.gz ONFNJTSFKVUISR-SECBINFHSA-N 0 1 247.298 2.239 20 0 BEADMN C[C@@H]1CCN(Cn2c3ccccc3oc2=O)[C@@H]1C ZINC000174951484 639460882 /nfs/dbraw/zinc/46/08/82/639460882.db2.gz FDOVGTBAJORIDF-GHMZBOCLSA-N 0 1 246.310 2.282 20 0 BEADMN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000910470519 639462077 /nfs/dbraw/zinc/46/20/77/639462077.db2.gz SEFWNOMBQOPQPD-NEPJUHHUSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000910470521 639462114 /nfs/dbraw/zinc/46/21/14/639462114.db2.gz SEFWNOMBQOPQPD-RYUDHWBXSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1cccc(N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)[nH+]1 ZINC000910482049 639468166 /nfs/dbraw/zinc/46/81/66/639468166.db2.gz IGFRISQYPREZBF-OPQQBVKSSA-N 0 1 232.283 2.055 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])o1 ZINC000129313500 639481761 /nfs/dbraw/zinc/48/17/61/639481761.db2.gz YQTJZILPVGKIEH-BXKDBHETSA-N 0 1 237.299 2.273 20 0 BEADMN CCc1ncc(CN2CCC(C)(OC)CC2)o1 ZINC000930234217 639643848 /nfs/dbraw/zinc/64/38/48/639643848.db2.gz IBJVDAVFNKICFG-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1onc(C)c1CN1CCOCC[C@H]1C ZINC000930236478 639644972 /nfs/dbraw/zinc/64/49/72/639644972.db2.gz WZIGCUULXNGMQG-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN COC/C(C)=C/CN1CC[C@H](C)[C@H](F)C1 ZINC000930244545 639654475 /nfs/dbraw/zinc/65/44/75/639654475.db2.gz NWSQCNZNWRAALQ-PEXLVHELSA-N 0 1 215.312 2.259 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)C(C)(C)C ZINC000911591648 639678009 /nfs/dbraw/zinc/67/80/09/639678009.db2.gz TXFOSOAHGGRKCN-SKDRFNHKSA-N 0 1 249.358 2.333 20 0 BEADMN CN(C(=O)c1cc(C(F)F)[nH]n1)C(C)(C)C ZINC000911592318 639679654 /nfs/dbraw/zinc/67/96/54/639679654.db2.gz ZZYYPRRGWGAVOS-UHFFFAOYSA-N 0 1 231.246 2.218 20 0 BEADMN COC/C(C)=C/CN1CCC(F)(F)CC1 ZINC000930292935 639685577 /nfs/dbraw/zinc/68/55/77/639685577.db2.gz LPKZZXGSPAXOSQ-XCVCLJGOSA-N 0 1 219.275 2.310 20 0 BEADMN CC1=C(C)CN(Cc2[nH]nc3c2COCC3)CC1 ZINC000930297816 639686713 /nfs/dbraw/zinc/68/67/13/639686713.db2.gz DTQHNAOHJQJWGX-UHFFFAOYSA-N 0 1 247.342 2.025 20 0 BEADMN Cn1nccc1[C@H]1CCCCN1CCOC1CC1 ZINC000930306840 639693873 /nfs/dbraw/zinc/69/38/73/639693873.db2.gz MEUBERJSFCWIHQ-CQSZACIVSA-N 0 1 249.358 2.126 20 0 BEADMN COC[C@@H](CN1Cc2cccnc2C1)C(C)C ZINC000930308346 639696181 /nfs/dbraw/zinc/69/61/81/639696181.db2.gz XKFWVPIXVVFCNA-CYBMUJFWSA-N 0 1 234.343 2.316 20 0 BEADMN CC[C@@H](CO)N1CC[C@](F)(c2ccccc2)C1 ZINC000930351146 639726502 /nfs/dbraw/zinc/72/65/02/639726502.db2.gz NGRWMHRAMNOGNP-UONOGXRCSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1ccc2c(c1)CN(CCOC1CC1)CCO2 ZINC000930456615 639757812 /nfs/dbraw/zinc/75/78/12/639757812.db2.gz HQVQTWWFLNQHHQ-UHFFFAOYSA-N 0 1 247.338 2.368 20 0 BEADMN CCC[C@]1(NCc2cnc(CC)o2)CCOC1 ZINC000930462703 639765293 /nfs/dbraw/zinc/76/52/93/639765293.db2.gz ZNKLCXWBDCOPEP-ZDUSSCGKSA-N 0 1 238.331 2.286 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCOC[C@H]1CC(F)F ZINC000930469127 639768980 /nfs/dbraw/zinc/76/89/80/639768980.db2.gz JNDAFLJUIHDARY-OUAUKWLOSA-N 0 1 233.302 2.389 20 0 BEADMN CCN(C[C@H](C)OC)[C@H](C)c1snnc1C ZINC000930541511 639808301 /nfs/dbraw/zinc/80/83/01/639808301.db2.gz VIVNYCZMAUJKET-WCBMZHEXSA-N 0 1 243.376 2.264 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H]1C ZINC000930582823 639813844 /nfs/dbraw/zinc/81/38/44/639813844.db2.gz RSGRVFOEPRHWBB-KATARQTJSA-N 0 1 237.265 2.437 20 0 BEADMN COC/C(C)=C/CN1CCC[C@@](C)(F)C1 ZINC000930596577 639816272 /nfs/dbraw/zinc/81/62/72/639816272.db2.gz WEHPPWAEAOTWEX-JXDHDYMSSA-N 0 1 215.312 2.403 20 0 BEADMN CCc1ncc(CN2CCCC[C@H]2COC)o1 ZINC000930664223 639853056 /nfs/dbraw/zinc/85/30/56/639853056.db2.gz DUEJJZTXUDEHAB-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)C[C@@H](CC)O1 ZINC000930747266 639893484 /nfs/dbraw/zinc/89/34/84/639893484.db2.gz JEYKLZWGHMFQED-PISUUVGWSA-N 0 1 241.375 2.469 20 0 BEADMN CCN(Cc1cc(C)nnc1C)[C@H]1CCCOC1 ZINC000930853376 639949854 /nfs/dbraw/zinc/94/98/54/639949854.db2.gz TVUWNFZAEFNDOW-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N(C)Cc1cnc[nH]1 ZINC000930913970 639985895 /nfs/dbraw/zinc/98/58/95/639985895.db2.gz BUWGVBSFBBWNJS-VIFPVBQESA-N 0 1 234.278 2.137 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nnc(OC)s1 ZINC000930930016 639992229 /nfs/dbraw/zinc/99/22/29/639992229.db2.gz ABZITQXULBIDAX-QMMMGPOBSA-N 0 1 243.376 2.461 20 0 BEADMN CCN(C(=O)c1ccc2n1CCN[C@@H]2C)C(C)C ZINC000912238607 639997425 /nfs/dbraw/zinc/99/74/25/639997425.db2.gz JVDWPOMNVZERHD-LLVKDONJSA-N 0 1 249.358 2.023 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@H](CCF)C1 ZINC000931014352 640019181 /nfs/dbraw/zinc/01/91/81/640019181.db2.gz AVFBETNDXCUVPI-GFCCVEGCSA-N 0 1 239.338 2.300 20 0 BEADMN COc1ccc2c(c1)CCN(CCOC1CC1)C2 ZINC000931015969 640021922 /nfs/dbraw/zinc/02/19/22/640021922.db2.gz LTGSMAYNPMNXLA-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN CO[C@@H]1CN(C[C@H]2CC3CCC2CC3)CCO1 ZINC000931035404 640027826 /nfs/dbraw/zinc/02/78/26/640027826.db2.gz MGLATHWERPQEAO-PQAZSJQKSA-N 0 1 239.359 2.117 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CC(N2CCCC2)C1 ZINC000912324909 640029967 /nfs/dbraw/zinc/02/99/67/640029967.db2.gz KOMUHTKYNFZMNG-VAWYXSNFSA-N 0 1 236.359 2.039 20 0 BEADMN c1nnc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]3C[C@H]3C2)[n-]1 ZINC000931140912 640076406 /nfs/dbraw/zinc/07/64/06/640076406.db2.gz AIEGRCAJXYDZHF-XQHKEYJVSA-N 0 1 246.358 2.378 20 0 BEADMN c1nnc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]3C[C@H]3C2)[n-]1 ZINC000931140912 640076411 /nfs/dbraw/zinc/07/64/11/640076411.db2.gz AIEGRCAJXYDZHF-XQHKEYJVSA-N 0 1 246.358 2.378 20 0 BEADMN CCc1ncc(CN(C2CC2)C2CC2)o1 ZINC000931178944 640090628 /nfs/dbraw/zinc/09/06/28/640090628.db2.gz MIWAFSYZZNNIAP-UHFFFAOYSA-N 0 1 206.289 2.364 20 0 BEADMN C[C@H](C(=O)N1CC=CC12CCCCC2)N(C)C ZINC000912477586 640091918 /nfs/dbraw/zinc/09/19/18/640091918.db2.gz GWSJYBDFQXUNEM-GFCCVEGCSA-N 0 1 236.359 2.038 20 0 BEADMN O=C(c1ccn[nH]1)N1CC=CC12CCCCC2 ZINC000912477084 640092071 /nfs/dbraw/zinc/09/20/71/640092071.db2.gz ALWGHMXTVZPXHF-UHFFFAOYSA-N 0 1 231.299 2.125 20 0 BEADMN CCc1ncc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)o1 ZINC000931256851 640112130 /nfs/dbraw/zinc/11/21/30/640112130.db2.gz FJQVAUIZZGBLNI-YVNDNENWSA-N 0 1 238.331 2.139 20 0 BEADMN CCc1ncc(CN(C)CC(O)(CC)CC)o1 ZINC000931335364 640162015 /nfs/dbraw/zinc/16/20/15/640162015.db2.gz VHXWOQRRHFSZBP-UHFFFAOYSA-N 0 1 240.347 2.220 20 0 BEADMN C[C@H](C1CC1)N(C(=O)c1coc(CN)c1)C1CC1 ZINC000187405817 640208002 /nfs/dbraw/zinc/20/80/02/640208002.db2.gz PZIARAUTOQVMEH-SECBINFHSA-N 0 1 248.326 2.141 20 0 BEADMN C[C@H]1CN(C[C@H]2CCC(C)(C)O2)Cc2c[nH]nc21 ZINC000931461721 640221341 /nfs/dbraw/zinc/22/13/41/640221341.db2.gz YKXOJWLLWUALLA-CMPLNLGQSA-N 0 1 249.358 2.286 20 0 BEADMN CC1(F)CCN(Cc2cnn(CCF)c2)CC1 ZINC000931501872 640233106 /nfs/dbraw/zinc/23/31/06/640233106.db2.gz GLPPIVFPTPPCDB-UHFFFAOYSA-N 0 1 243.301 2.177 20 0 BEADMN CCCC[C@H](C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912907488 640233359 /nfs/dbraw/zinc/23/33/59/640233359.db2.gz HQZVPNNJPLTWCG-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN O=C(C1=CCCCCC1)N1CC[C@@H](N2CCC2)C1 ZINC000912910233 640235456 /nfs/dbraw/zinc/23/54/56/640235456.db2.gz MQOLFNQNLLYALT-CQSZACIVSA-N 0 1 248.370 2.184 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]2CSC[C@@H]2C1 ZINC000931547729 640266923 /nfs/dbraw/zinc/26/69/23/640266923.db2.gz FVGIHTKYHWLIHL-WOPDTQHZSA-N 0 1 249.383 2.223 20 0 BEADMN COCCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931680354 640313428 /nfs/dbraw/zinc/31/34/28/640313428.db2.gz UCMADRSNEDMIAP-UHFFFAOYSA-N 0 1 249.358 2.074 20 0 BEADMN CCc1onc(C)c1CN1CCC(F)CC1 ZINC000931687498 640315360 /nfs/dbraw/zinc/31/53/60/640315360.db2.gz XDJFGNWBDMTUIR-UHFFFAOYSA-N 0 1 226.295 2.479 20 0 BEADMN CCc1ncc(CN2CC[C@H](CF)C2)o1 ZINC000931687780 640318801 /nfs/dbraw/zinc/31/88/01/640318801.db2.gz ZZICOYLUXCNQSV-SECBINFHSA-N 0 1 212.268 2.028 20 0 BEADMN CCN(CC(=O)N1CC=CC12CCCC2)C1CC1 ZINC000913202065 640328836 /nfs/dbraw/zinc/32/88/36/640328836.db2.gz BWFDOIPDFXRQII-UHFFFAOYSA-N 0 1 248.370 2.182 20 0 BEADMN C[C@H](c1ncccn1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931753958 640349014 /nfs/dbraw/zinc/34/90/14/640349014.db2.gz WZQIYXSLWJYWNQ-AGIUHOORSA-N 0 1 247.342 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931753958 640349019 /nfs/dbraw/zinc/34/90/19/640349019.db2.gz WZQIYXSLWJYWNQ-AGIUHOORSA-N 0 1 247.342 2.039 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C1CCCC1 ZINC000913532944 640388874 /nfs/dbraw/zinc/38/88/74/640388874.db2.gz HTOWJUKRPGLNFT-YLXGSJGQSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)=CCN1CC[C@H](c2noc(C)n2)C1 ZINC000931941485 640399232 /nfs/dbraw/zinc/39/92/32/640399232.db2.gz QAYURFIKKMODCA-NSHDSACASA-N 0 1 221.304 2.134 20 0 BEADMN C[C@H](NCc1c[nH]cn1)c1cccs1 ZINC000054763754 640405905 /nfs/dbraw/zinc/40/59/05/640405905.db2.gz DEEIZVUJIFQZIT-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN C=Cc1ccccc1NC(=O)NC[C@H]1CCN1C ZINC000932071077 640419760 /nfs/dbraw/zinc/41/97/60/640419760.db2.gz DUYXQARSGMMKBR-GFCCVEGCSA-N 0 1 245.326 2.155 20 0 BEADMN CC(C)N1CCS[C@@H](C(F)(F)F)C1 ZINC000932084866 640421837 /nfs/dbraw/zinc/42/18/37/640421837.db2.gz METFDWHUZICKEI-SSDOTTSWSA-N 0 1 213.268 2.375 20 0 BEADMN COC(=O)CN1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932276623 640469792 /nfs/dbraw/zinc/46/97/92/640469792.db2.gz UXSUENGFBCBNNX-GXTWGEPZSA-N 0 1 247.338 2.428 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])nc1 ZINC000156666235 640478923 /nfs/dbraw/zinc/47/89/23/640478923.db2.gz MFLHPANJFILDOO-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@H]1CCN(Cc2cccc(F)c2)CCO1 ZINC000932347735 640489392 /nfs/dbraw/zinc/48/93/92/640489392.db2.gz GNUJVUQPPZHSFY-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN CC(C)OCCCN[C@H](c1ncccn1)C1CC1 ZINC000932359600 640498738 /nfs/dbraw/zinc/49/87/38/640498738.db2.gz GPKSKDGWRLPWHM-ZDUSSCGKSA-N 0 1 249.358 2.332 20 0 BEADMN CC[C@@H](NCc1c[nH]cn1)c1ccncc1 ZINC000164690313 640499856 /nfs/dbraw/zinc/49/98/56/640499856.db2.gz ZTWVYNHJIIIHBM-GFCCVEGCSA-N 0 1 216.288 2.046 20 0 BEADMN Cc1cc(N[C@H]2CCC[C@@]2(C)C(=O)[O-])nc(C)[nH+]1 ZINC000165024221 640527337 /nfs/dbraw/zinc/52/73/37/640527337.db2.gz QYHXIRZPTWOTMS-GXFFZTMASA-N 0 1 249.314 2.149 20 0 BEADMN CC(=O)NC1CN(CC[C@H]2CCC[C@H](C)C2)C1 ZINC001030040093 640533933 /nfs/dbraw/zinc/53/39/33/640533933.db2.gz NCHVPBQMUGAWHP-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN c1cc2n(c1)CCN(CCCc1cccnc1)C2 ZINC000932526336 640565594 /nfs/dbraw/zinc/56/55/94/640565594.db2.gz KHJBJHAMOCOHAK-UHFFFAOYSA-N 0 1 241.338 2.332 20 0 BEADMN CCCN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932579661 640577341 /nfs/dbraw/zinc/57/73/41/640577341.db2.gz XRGORYSISOOOAM-UHFFFAOYSA-N 0 1 233.237 2.128 20 0 BEADMN C[C@H]1C[C@@H]1CN1CCn2nc(C3CC3)cc2C1 ZINC000932601643 640583192 /nfs/dbraw/zinc/58/31/92/640583192.db2.gz QCWRFQAZUSPAJE-CMPLNLGQSA-N 0 1 231.343 2.232 20 0 BEADMN CCCN1CCn2nc(C(C)(C)C)cc2C1 ZINC000932612359 640585281 /nfs/dbraw/zinc/58/52/81/640585281.db2.gz QKSOAIUPXCKEQP-UHFFFAOYSA-N 0 1 221.348 2.406 20 0 BEADMN CC(C)(C)c1cc2n(n1)CCN(CCCF)C2 ZINC000932616201 640588718 /nfs/dbraw/zinc/58/87/18/640588718.db2.gz BCUHKEBRNALGPZ-UHFFFAOYSA-N 0 1 239.338 2.356 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000932788164 640610816 /nfs/dbraw/zinc/61/08/16/640610816.db2.gz YNSWMXFDRKKVFM-LLVKDONJSA-N 0 1 233.315 2.081 20 0 BEADMN c1nonc1C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932892542 640641895 /nfs/dbraw/zinc/64/18/95/640641895.db2.gz XJRGVMFTVYLRQV-DGCLKSJQSA-N 0 1 233.315 2.080 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccco1)c1ccoc1 ZINC000166553152 640647938 /nfs/dbraw/zinc/64/79/38/640647938.db2.gz MERRXXLBGSDLDP-GXSJLCMTSA-N 0 1 221.256 2.257 20 0 BEADMN c1cc(CN2CCC[C@@H](C3CCOCC3)C2)n[nH]1 ZINC000933085394 640667310 /nfs/dbraw/zinc/66/73/10/640667310.db2.gz ONCNZPCJTWNTPB-CYBMUJFWSA-N 0 1 249.358 2.048 20 0 BEADMN COC1CC(NCc2ncc(Cl)s2)C1 ZINC000225383085 640687130 /nfs/dbraw/zinc/68/71/30/640687130.db2.gz CMKLOIONPKWXJI-UHFFFAOYSA-N 0 1 232.736 2.064 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2CC2(C)C)n1 ZINC000225434705 640693197 /nfs/dbraw/zinc/69/31/97/640693197.db2.gz ARGMCCBKBNGJNJ-SFYZADRCSA-N 0 1 209.293 2.239 20 0 BEADMN C[C@@]1(NCCF)CCOc2ccccc21 ZINC000933369192 640709919 /nfs/dbraw/zinc/70/99/19/640709919.db2.gz DHXTXPNPIAMPIS-GFCCVEGCSA-N 0 1 209.264 2.243 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cccc(F)c2O)C1 ZINC000933366832 640710210 /nfs/dbraw/zinc/71/02/10/640710210.db2.gz RYHANSLFICIOII-BDAKNGLRSA-N 0 1 237.274 2.402 20 0 BEADMN CC(C)=CCN(C)Cc1cccc(=O)[nH]1 ZINC000933397023 640714558 /nfs/dbraw/zinc/71/45/58/640714558.db2.gz WIDOMNMRLVPMHJ-UHFFFAOYSA-N 0 1 206.289 2.185 20 0 BEADMN c1cnc(CN2CCCSC[C@@H]2C2CC2)nc1 ZINC000933917455 640788585 /nfs/dbraw/zinc/78/85/85/640788585.db2.gz KKXGRVMBCYPISH-GFCCVEGCSA-N 0 1 249.383 2.194 20 0 BEADMN CC1(CNC(=O)c2cccc(F)c2O)CC1 ZINC000934065340 640811871 /nfs/dbraw/zinc/81/18/71/640811871.db2.gz BOXAFMWIOWCOHI-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCC[C@@H]1C ZINC000158271591 640826423 /nfs/dbraw/zinc/82/64/23/640826423.db2.gz WVNIZCXGAREHJS-WDEREUQCSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCCC2CCC2)cc1 ZINC000228088256 640860568 /nfs/dbraw/zinc/86/05/68/640860568.db2.gz QMVYEZUPKXTSDL-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2cncs2)no1 ZINC000087575439 640930552 /nfs/dbraw/zinc/93/05/52/640930552.db2.gz XDSIGFBRDWFYJC-ZETCQYMHSA-N 0 1 238.316 2.254 20 0 BEADMN Clc1nc2[nH]cnc2c(NC2CC=CC2)n1 ZINC000229329297 640946991 /nfs/dbraw/zinc/94/69/91/640946991.db2.gz GFAKSUTVYPJGMI-UHFFFAOYSA-N 0 1 235.678 2.137 20 0 BEADMN Cc1cccc2c1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000171609176 640995110 /nfs/dbraw/zinc/99/51/10/640995110.db2.gz WPICRPFHSDCUQI-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN Cc1cccc2c1CCN(Cc1cnn(C)c1)C2 ZINC000171609176 640995112 /nfs/dbraw/zinc/99/51/12/640995112.db2.gz WPICRPFHSDCUQI-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc(F)c2O)[C@H]1C ZINC000934103073 641064102 /nfs/dbraw/zinc/06/41/02/641064102.db2.gz PEKXNLXZFCKHFD-IUCAKERBSA-N 0 1 237.274 2.402 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1ccc(Cl)cn1 ZINC000934105067 641067298 /nfs/dbraw/zinc/06/72/98/641067298.db2.gz BGMYLULKCCAKLB-NEPJUHHUSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1c(C)nsc1C ZINC000934107270 641072157 /nfs/dbraw/zinc/07/21/57/641072157.db2.gz HCJONZQPWHJTOJ-RYUDHWBXSA-N 0 1 240.372 2.369 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)CCC(F)(F)F ZINC000934111277 641073889 /nfs/dbraw/zinc/07/38/89/641073889.db2.gz HNMHIALUPISWDA-HTQZYQBOSA-N 0 1 211.227 2.048 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1ccccc1F ZINC000934128242 641086592 /nfs/dbraw/zinc/08/65/92/641086592.db2.gz XEYVLBXALSEQDK-CHWSQXEVSA-N 0 1 223.291 2.435 20 0 BEADMN c1ccc(C2CCN(CC3OCCO3)CC2)cc1 ZINC000172691809 641098323 /nfs/dbraw/zinc/09/83/23/641098323.db2.gz JHDWTLUDSZONKQ-UHFFFAOYSA-N 0 1 247.338 2.239 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)o1 ZINC000062876870 641104448 /nfs/dbraw/zinc/10/44/48/641104448.db2.gz VZGCAFNOWABGGC-CYBMUJFWSA-N 0 1 237.299 2.275 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC(C)C)C1CC1 ZINC000172746705 641106462 /nfs/dbraw/zinc/10/64/62/641106462.db2.gz UOWKGKBHCCTDJJ-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)CC(C)C ZINC000172807915 641115908 /nfs/dbraw/zinc/11/59/08/641115908.db2.gz OAZRMOLXILOUEY-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000231284397 641155046 /nfs/dbraw/zinc/15/50/46/641155046.db2.gz KWOLXYNGPHJWMM-VIFPVBQESA-N 0 1 225.723 2.362 20 0 BEADMN Cc1[nH+]c(N[C@H]2CCSC2)ccc1C(=O)[O-] ZINC000231356241 641166495 /nfs/dbraw/zinc/16/64/95/641166495.db2.gz WTPROFYSACYWFU-QMMMGPOBSA-N 0 1 238.312 2.006 20 0 BEADMN O[C@H]1CCN(CCC2CCCCC2)C[C@@H]1F ZINC000934565215 641196962 /nfs/dbraw/zinc/19/69/62/641196962.db2.gz GOQSCDPEIUEUHV-STQMWFEESA-N 0 1 229.339 2.362 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000174080636 641236652 /nfs/dbraw/zinc/23/66/52/641236652.db2.gz ULJHMNJCBCIOAG-CHWSQXEVSA-N 0 1 238.375 2.323 20 0 BEADMN CCc1nnc(CNC(C)(C)CSC)s1 ZINC000934663278 641237270 /nfs/dbraw/zinc/23/72/70/641237270.db2.gz KNKPTZVRAPKNEW-UHFFFAOYSA-N 0 1 245.417 2.332 20 0 BEADMN CC(C)C[C@H]1CCN(CN2CCSC2=O)C1 ZINC000174081859 641237199 /nfs/dbraw/zinc/23/71/99/641237199.db2.gz MLICLGQAKRHNRE-LLVKDONJSA-N 0 1 242.388 2.481 20 0 BEADMN C/C(=C/C(=O)Nc1c(C)n[nH]c1C)C1CC1 ZINC000063837683 641246046 /nfs/dbraw/zinc/24/60/46/641246046.db2.gz XPVJRRACBZWANN-SREVYHEPSA-N 0 1 219.288 2.321 20 0 BEADMN CCn1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)nn1 ZINC000934758331 641259253 /nfs/dbraw/zinc/25/92/53/641259253.db2.gz HOCCTWHMZMPIHM-OLZOCXBDSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@@H](c1ncccn1)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766135 641261736 /nfs/dbraw/zinc/26/17/36/641261736.db2.gz BZASTZUARLEKKR-LOWVWBTDSA-N 0 1 249.383 2.223 20 0 BEADMN Cc1conc1CN1C[C@@H]2CSC[C@]2(C)C1 ZINC000934769982 641263999 /nfs/dbraw/zinc/26/39/99/641263999.db2.gz VMYGEOGJEGWBQP-PWSUYJOCSA-N 0 1 238.356 2.168 20 0 BEADMN Nc1ccnc(CNC2(C3CCCCC3)CC2)n1 ZINC000934789691 641271652 /nfs/dbraw/zinc/27/16/52/641271652.db2.gz LMCIMKINQPXWHB-UHFFFAOYSA-N 0 1 246.358 2.261 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CCC[C@@H]1C ZINC000174421175 641283794 /nfs/dbraw/zinc/28/37/94/641283794.db2.gz DKIGXJYACKHGNH-WDEREUQCSA-N 0 1 213.321 2.203 20 0 BEADMN c1csc(CNc2nccn2C2CC2)n1 ZINC000232554664 641300505 /nfs/dbraw/zinc/30/05/05/641300505.db2.gz YXTJXESTSDGKCK-UHFFFAOYSA-N 0 1 220.301 2.287 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCN2C(C)C)cn1 ZINC000934959243 641309915 /nfs/dbraw/zinc/30/99/15/641309915.db2.gz BCKBGQJNRHCYQU-CYBMUJFWSA-N 0 1 247.342 2.201 20 0 BEADMN CCN1CCN(C(=O)CCC2(C)CC2)C[C@H]1C ZINC000935070825 641331033 /nfs/dbraw/zinc/33/10/33/641331033.db2.gz KXKIMEGQXIXYHU-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC=C(F)C1 ZINC000935220091 641368426 /nfs/dbraw/zinc/36/84/26/641368426.db2.gz ZPSPTQIJQDLXSM-UHFFFAOYSA-N 0 1 239.221 2.231 20 0 BEADMN Cc1nc(C)c(CN2CCS[C@H](C)[C@H]2C)[nH]1 ZINC000929674321 641392783 /nfs/dbraw/zinc/39/27/83/641392783.db2.gz GQYKSQUQCCWUOE-NXEZZACHSA-N 0 1 239.388 2.352 20 0 BEADMN C(CN1CCOC2(CCCCC2)C1)OC1CC1 ZINC000929717442 641417883 /nfs/dbraw/zinc/41/78/83/641417883.db2.gz GRGCPCAWZOXVCJ-UHFFFAOYSA-N 0 1 239.359 2.201 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1CC1(C)C ZINC000925393753 641424110 /nfs/dbraw/zinc/42/41/10/641424110.db2.gz RJXVRFSVTBPGKV-APPZFPTMSA-N 0 1 209.293 2.075 20 0 BEADMN O=C(/C=C\C1CCCCC1)NC12CCN(CC1)C2 ZINC000913630070 641433518 /nfs/dbraw/zinc/43/35/18/641433518.db2.gz XSCTYWVCYIQMKY-SREVYHEPSA-N 0 1 248.370 2.087 20 0 BEADMN O=C(/C=C/C1CCCCC1)NC12CCN(CC1)C2 ZINC000913630071 641434405 /nfs/dbraw/zinc/43/44/05/641434405.db2.gz XSCTYWVCYIQMKY-VOTSOKGWSA-N 0 1 248.370 2.087 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NC12CCN(CC1)C2 ZINC000913635089 641436827 /nfs/dbraw/zinc/43/68/27/641436827.db2.gz QMBAJZADELHHFU-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(NC12CCN(CC1)C2)[C@@H]1CCC=CCCC1 ZINC000913636921 641439273 /nfs/dbraw/zinc/43/92/73/641439273.db2.gz ZUDJLOAKVOBATR-CYBMUJFWSA-N 0 1 248.370 2.087 20 0 BEADMN CC(C)C1(O)CN(C[C@H]2CCCC(C)(C)O2)C1 ZINC000714384701 711505481 /nfs/dbraw/zinc/50/54/81/711505481.db2.gz IWWKKYPQGCWFJM-GFCCVEGCSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@]1(C(=O)NOC/C=C\Cl)C=CCC1 ZINC000936058114 641524061 /nfs/dbraw/zinc/52/40/61/641524061.db2.gz FEFJCEGBSVJUTB-VAWSOJLPSA-N 0 1 215.680 2.143 20 0 BEADMN O=C(NCCCCF)c1cccc(F)c1O ZINC000936068695 641529546 /nfs/dbraw/zinc/52/95/46/641529546.db2.gz RWBOLGUVCDVVHY-UHFFFAOYSA-N 0 1 229.226 2.011 20 0 BEADMN COc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000041123572 641542313 /nfs/dbraw/zinc/54/23/13/641542313.db2.gz LYDCINFCHIJWQM-LLVKDONJSA-N 0 1 247.298 2.401 20 0 BEADMN CCCCOC(=O)[C@H](C)N(CC)CC ZINC000158558979 641640029 /nfs/dbraw/zinc/64/00/29/641640029.db2.gz YFMCBVRJDBCQRR-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)c(O)c1 ZINC000158620366 641642714 /nfs/dbraw/zinc/64/27/14/641642714.db2.gz MNSYAFCCTLWTMK-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCCCOC(=O)CN(C)[C@@H](C)CCC ZINC000047868217 641665496 /nfs/dbraw/zinc/66/54/96/641665496.db2.gz QZKVVTWKZDZYNI-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN O=C(CN1CCCC1)NC1CCCCCCC1 ZINC000048613422 641693878 /nfs/dbraw/zinc/69/38/78/641693878.db2.gz LTMJYWVKWNILRI-UHFFFAOYSA-N 0 1 238.375 2.311 20 0 BEADMN CCCCOC(=O)[C@H](C)N(CC)C(C)C ZINC000159981338 641708263 /nfs/dbraw/zinc/70/82/63/641708263.db2.gz XUUHLAOSUQXCKM-NSHDSACASA-N 0 1 215.337 2.449 20 0 BEADMN OC[C@@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000189112042 641787338 /nfs/dbraw/zinc/78/73/38/641787338.db2.gz XUQYSKNVYUJJTG-CYBMUJFWSA-N 0 1 246.285 2.044 20 0 BEADMN CCC[C@H](C)[C@@H](C)OC(=O)CCc1nc[nH]n1 ZINC000189298689 641799860 /nfs/dbraw/zinc/79/98/60/641799860.db2.gz ITTZRBIFJCLIBC-VHSXEESVSA-N 0 1 239.319 2.105 20 0 BEADMN CN(CCOCC1CC1)Cc1ccc(F)nc1 ZINC000189433467 641807469 /nfs/dbraw/zinc/80/74/69/641807469.db2.gz QMKUTWHBVQZKSG-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN CC(C)[C@H](C)N(C)CN1CCSC1=O ZINC000915209688 641809597 /nfs/dbraw/zinc/80/95/97/641809597.db2.gz RLXMSSKEBLDZOI-VIFPVBQESA-N 0 1 216.350 2.089 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000929887372 641839229 /nfs/dbraw/zinc/83/92/29/641839229.db2.gz UTKABPAOEMEJDH-YGNAEDSMSA-N 0 1 248.326 2.271 20 0 BEADMN CCCN(CCC)Cn1cc2[nH]cccc-2c1=O ZINC000190188794 641846246 /nfs/dbraw/zinc/84/62/46/641846246.db2.gz UMXYFUIVYRQBJO-UHFFFAOYSA-N 0 1 247.342 2.117 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(C)c(C)c1 ZINC000915876767 641871983 /nfs/dbraw/zinc/87/19/83/641871983.db2.gz ORHAMLSHKWBESE-NSHDSACASA-N 0 1 234.324 2.270 20 0 BEADMN CSC1(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000190897414 641893688 /nfs/dbraw/zinc/89/36/88/641893688.db2.gz MPKZQBLRTGHKHB-UHFFFAOYSA-N 0 1 248.307 2.098 20 0 BEADMN CCc1nnc(SC[C@@H](COC)C(C)C)[nH]1 ZINC000916515255 641942000 /nfs/dbraw/zinc/94/20/00/641942000.db2.gz GWVOCLZCHCNMPM-SECBINFHSA-N 0 1 243.376 2.378 20 0 BEADMN CCc1n[nH]c(SC[C@@H](COC)C(C)C)n1 ZINC000916515255 641942004 /nfs/dbraw/zinc/94/20/04/641942004.db2.gz GWVOCLZCHCNMPM-SECBINFHSA-N 0 1 243.376 2.378 20 0 BEADMN CCc1cc(CNC(=O)c2cccc(F)c2)n[nH]1 ZINC000078669502 641943369 /nfs/dbraw/zinc/94/33/69/641943369.db2.gz XNWCWICRIGPEPQ-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCSC(C)(C)C ZINC000917583181 642086053 /nfs/dbraw/zinc/08/60/53/642086053.db2.gz LFXMHYAJCAGDHE-MRVPVSSYSA-N 0 1 246.401 2.126 20 0 BEADMN CCCSCC(=O)OCCN1CCCCC1 ZINC000917538355 642076423 /nfs/dbraw/zinc/07/64/23/642076423.db2.gz NGLMHAQAXDQUBS-UHFFFAOYSA-N 0 1 245.388 2.159 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC(C)(C)C(C)C ZINC000917562692 642083154 /nfs/dbraw/zinc/08/31/54/642083154.db2.gz RUDOUNCDOPEGDW-QMMMGPOBSA-N 0 1 214.334 2.029 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@H](C)c1ccccc1 ZINC000917598524 642094238 /nfs/dbraw/zinc/09/42/38/642094238.db2.gz OYAUFKXCVVWIBL-CABZTGNLSA-N 0 1 248.351 2.398 20 0 BEADMN COC(=O)/C=C(/C)Cn1c(C)nc2c1CCCC2 ZINC000917765227 642118312 /nfs/dbraw/zinc/11/83/12/642118312.db2.gz LOWKRDWGOXFMQL-NTMALXAHSA-N 0 1 248.326 2.190 20 0 BEADMN COC(=O)/C=C(\C)Cn1c(C)nc2c1CCCC2 ZINC000917765223 642118546 /nfs/dbraw/zinc/11/85/46/642118546.db2.gz LOWKRDWGOXFMQL-CSKARUKUSA-N 0 1 248.326 2.190 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cccc(C)c1 ZINC000917796118 642123586 /nfs/dbraw/zinc/12/35/86/642123586.db2.gz PUPVCJVACDDQMI-NSHDSACASA-N 0 1 234.324 2.103 20 0 BEADMN Cc1cn[nH]c1CSCCC(C)(C)O ZINC000918005478 642158351 /nfs/dbraw/zinc/15/83/51/642158351.db2.gz ZHOMEVIGMHNGBB-UHFFFAOYSA-N 0 1 214.334 2.112 20 0 BEADMN C[C@H](O)CC(C)(C)CN[C@@H](C)c1ncco1 ZINC000925464054 642330079 /nfs/dbraw/zinc/33/00/79/642330079.db2.gz FEFHFCWCIVDIJB-UWVGGRQHSA-N 0 1 226.320 2.122 20 0 BEADMN CCN(CC1=CCCC1)C(C)(C)C(=O)OC ZINC000933192756 642382045 /nfs/dbraw/zinc/38/20/45/642382045.db2.gz TYOFZROPWJCEPY-UHFFFAOYSA-N 0 1 225.332 2.370 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@H]1CC1CC1 ZINC000933205174 642388181 /nfs/dbraw/zinc/38/81/81/642388181.db2.gz XSFYJVRRXYMLJH-IMBBRHANSA-N 0 1 239.359 2.080 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933255769 642425702 /nfs/dbraw/zinc/42/57/02/642425702.db2.gz DWKKNFMRBXGYBQ-AATRIKPKSA-N 0 1 231.343 2.393 20 0 BEADMN C=C/C=C/CCN1CCc2c(ncn2CC)C1 ZINC000933255769 642425706 /nfs/dbraw/zinc/42/57/06/642425706.db2.gz DWKKNFMRBXGYBQ-AATRIKPKSA-N 0 1 231.343 2.393 20 0 BEADMN CC1(C)CCN1C(=O)c1cc(F)cc(F)c1O ZINC000933299120 642520295 /nfs/dbraw/zinc/52/02/95/642520295.db2.gz PEKVRSPTRDEMBV-UHFFFAOYSA-N 0 1 241.237 2.295 20 0 BEADMN Cn1nc2c(c1CNCc1cccs1)CCC2 ZINC000921486561 642625792 /nfs/dbraw/zinc/62/57/92/642625792.db2.gz NPBYCSLUQTYAOU-UHFFFAOYSA-N 0 1 247.367 2.260 20 0 BEADMN COC[C@@H](C)NCc1cc(C)cnc1Cl ZINC000921470895 642630136 /nfs/dbraw/zinc/63/01/36/642630136.db2.gz PHZQQMJAKCROKV-SECBINFHSA-N 0 1 228.723 2.168 20 0 BEADMN Cc1nc(-c2noc([C@H]3C[C@@H](C)CCN3)n2)co1 ZINC000305980122 642716319 /nfs/dbraw/zinc/71/63/19/642716319.db2.gz AFAQOQSLGFWAQU-IONNQARKSA-N 0 1 248.286 2.094 20 0 BEADMN Cc1nc(-c2noc([C@@H]3C[C@H](C)CCN3)n2)co1 ZINC000305980118 642717967 /nfs/dbraw/zinc/71/79/67/642717967.db2.gz AFAQOQSLGFWAQU-APPZFPTMSA-N 0 1 248.286 2.094 20 0 BEADMN CCCCC[C@@H](CC)C(=O)C(C#N)C(=O)NC ZINC000181041920 642834202 /nfs/dbraw/zinc/83/42/02/642834202.db2.gz SVAANOUXLUUHDN-MNOVXSKESA-N 0 1 238.331 2.048 20 0 BEADMN CCCCC[C@H](CC)C(=O)C(C#N)C(=O)NC ZINC000181041936 642834698 /nfs/dbraw/zinc/83/46/98/642834698.db2.gz SVAANOUXLUUHDN-QWRGUYRKSA-N 0 1 238.331 2.048 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)OCC(C)C ZINC000181455690 642873897 /nfs/dbraw/zinc/87/38/97/642873897.db2.gz CRFGEKLYRFAVJF-NSHDSACASA-N 0 1 215.337 2.164 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1cccs1 ZINC000069795244 642906468 /nfs/dbraw/zinc/90/64/68/642906468.db2.gz QCESEIBUQYNWPC-MRVPVSSYSA-N 0 1 237.328 2.160 20 0 BEADMN CC[C@H]1C[C@H](NCc2cc(C)on2)CCO1 ZINC000069890498 642927865 /nfs/dbraw/zinc/92/78/65/642927865.db2.gz CQHLIJYELGZUQR-PWSUYJOCSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1nonc1CN[C@H]1CCc2ccccc2C1 ZINC000070261812 643006773 /nfs/dbraw/zinc/00/67/73/643006773.db2.gz QUQGODQXVSXXMG-ZDUSSCGKSA-N 0 1 243.310 2.025 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)NOC)c1ccccc1 ZINC000070275335 643011384 /nfs/dbraw/zinc/01/13/84/643011384.db2.gz HTJICSTUXYQPMV-ZYHUDNBSSA-N 0 1 221.300 2.494 20 0 BEADMN CCCCC[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC000276525156 643020752 /nfs/dbraw/zinc/02/07/52/643020752.db2.gz CNHPESAELWURLK-NSHDSACASA-N 0 1 237.347 2.427 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000070410252 643024584 /nfs/dbraw/zinc/02/45/84/643024584.db2.gz LEMWMUIDZLMJIW-SECBINFHSA-N 0 1 238.287 2.137 20 0 BEADMN C[C@@H](NC[C@@H]1CCC=CO1)c1nccs1 ZINC000070633980 643052650 /nfs/dbraw/zinc/05/26/50/643052650.db2.gz VPQJZYFNLUWQKJ-ZJUUUORDSA-N 0 1 224.329 2.486 20 0 BEADMN C[C@@H](NC[C@H]1CCC=CO1)c1nccs1 ZINC000070633982 643052795 /nfs/dbraw/zinc/05/27/95/643052795.db2.gz VPQJZYFNLUWQKJ-NXEZZACHSA-N 0 1 224.329 2.486 20 0 BEADMN CC[N@@H+](CCSC(F)(F)F)CCC(=O)[O-] ZINC000123583820 643076771 /nfs/dbraw/zinc/07/67/71/643076771.db2.gz CVOCHPZNEDMRRW-UHFFFAOYSA-N 0 1 245.266 2.036 20 0 BEADMN COC(C)(C)CCNCc1cscn1 ZINC000234598224 643102173 /nfs/dbraw/zinc/10/21/73/643102173.db2.gz ALDYXLOSKWEOAH-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN Cc1cccc(-n2cc(CNC(C)(C)C)nn2)c1 ZINC000090299530 643155600 /nfs/dbraw/zinc/15/56/00/643155600.db2.gz IEFGEGVNSSWHJD-UHFFFAOYSA-N 0 1 244.342 2.464 20 0 BEADMN Cc1cccc(-n2cc(CNC(C)C)nn2)c1 ZINC000090299528 643156521 /nfs/dbraw/zinc/15/65/21/643156521.db2.gz IWIGNVMRVJAVGJ-UHFFFAOYSA-N 0 1 230.315 2.074 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1c(F)cncc1F ZINC000932371882 643181446 /nfs/dbraw/zinc/18/14/46/643181446.db2.gz BJTOGUDSGVHECS-MRVPVSSYSA-N 0 1 244.285 2.263 20 0 BEADMN CO[C@H](C)CCC(=O)Nc1cc(C#N)ccc1O ZINC000184137877 643194906 /nfs/dbraw/zinc/19/49/06/643194906.db2.gz JVZLXQSJTNKVEP-SECBINFHSA-N 0 1 248.282 2.017 20 0 BEADMN ClC1(Cl)C[C@@H]1CSc1cn[nH]n1 ZINC000072262579 643230253 /nfs/dbraw/zinc/23/02/53/643230253.db2.gz RLZUOULVSDPDQA-SCSAIBSYSA-N 0 1 224.116 2.091 20 0 BEADMN OCC[C@H](NCc1ccccn1)c1cccs1 ZINC000077460000 643268365 /nfs/dbraw/zinc/26/83/65/643268365.db2.gz DAPYLLFEIYZPEM-LBPRGKRZSA-N 0 1 248.351 2.356 20 0 BEADMN C[C@H](Cc1ccco1)NCc1cscn1 ZINC000040436070 643307301 /nfs/dbraw/zinc/30/73/01/643307301.db2.gz UCCCUSVVCROECT-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000050924904 643325956 /nfs/dbraw/zinc/32/59/56/643325956.db2.gz GIMHJFRGOXXEOU-HTZNOQTFSA-N 0 1 231.723 2.458 20 0 BEADMN CO[C@H](CNCc1cccnc1C)C(F)(F)F ZINC000733329353 643329413 /nfs/dbraw/zinc/32/94/13/643329413.db2.gz RBAGLOJUKNCMAK-SNVBAGLBSA-N 0 1 248.248 2.057 20 0 BEADMN CCOc1ccccc1CNCc1cnc[nH]1 ZINC000112342261 643332421 /nfs/dbraw/zinc/33/24/21/643332421.db2.gz JQLVHPCZANDBPT-UHFFFAOYSA-N 0 1 231.299 2.098 20 0 BEADMN CCOc1ccc(CNCc2c[nH]cn2)cc1 ZINC000112342999 643332669 /nfs/dbraw/zinc/33/26/69/643332669.db2.gz SCMJSBNVQDERMI-UHFFFAOYSA-N 0 1 231.299 2.098 20 0 BEADMN CC(C)Oc1cccc(CNCc2c[nH]cn2)c1 ZINC000112341498 643333048 /nfs/dbraw/zinc/33/30/48/643333048.db2.gz ZLPKCQYSHPTWKF-UHFFFAOYSA-N 0 1 245.326 2.487 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cnc[nH]2)o1 ZINC000112341595 643333065 /nfs/dbraw/zinc/33/30/65/643333065.db2.gz IPFZWJANYPHAGT-CABZTGNLSA-N 0 1 231.299 2.416 20 0 BEADMN C[C@H]1CC([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@H](C)C1 ZINC000082832919 643383859 /nfs/dbraw/zinc/38/38/59/643383859.db2.gz FOTDGMYHQFCNKO-CKYFFXLPSA-N 0 1 225.332 2.360 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082846222 643385089 /nfs/dbraw/zinc/38/50/89/643385089.db2.gz DGNODTMBFXOQOV-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCCC(C)C)cc1 ZINC000083361197 643439847 /nfs/dbraw/zinc/43/98/47/643439847.db2.gz JDQZLIYZGLOCRZ-CYBMUJFWSA-N 0 1 234.343 2.157 20 0 BEADMN CCC(CC)C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083405294 643447484 /nfs/dbraw/zinc/44/74/84/643447484.db2.gz SLGWNMCDJDJNJQ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1csc([C@@H](C)NCc2cnc[nH]2)n1 ZINC000070621354 643464891 /nfs/dbraw/zinc/46/48/91/643464891.db2.gz SMYAYYAJFJNYAL-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CCN(C(=O)[C@H]1CCCN1C)c1ccc(C)cc1 ZINC000733870619 643475306 /nfs/dbraw/zinc/47/53/06/643475306.db2.gz UZCFQPQFFHQXLO-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN COc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000041123570 643493793 /nfs/dbraw/zinc/49/37/93/643493793.db2.gz LYDCINFCHIJWQM-NSHDSACASA-N 0 1 247.298 2.401 20 0 BEADMN C[C@H]1CN(C[C@H](O)c2ccccc2)CC(C)(C)O1 ZINC000044477731 643544029 /nfs/dbraw/zinc/54/40/29/643544029.db2.gz KCNSMEUQUKYSHU-JSGCOSHPSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(O)cc2)no1 ZINC000044625820 643545252 /nfs/dbraw/zinc/54/52/52/643545252.db2.gz VOWYREUDFXQWMU-JTQLQIEISA-N 0 1 233.271 2.113 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662467 643605167 /nfs/dbraw/zinc/60/51/67/643605167.db2.gz CLDFKUQDBLCEET-CABZTGNLSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662467 643605174 /nfs/dbraw/zinc/60/51/74/643605174.db2.gz CLDFKUQDBLCEET-CABZTGNLSA-N 0 1 249.310 2.452 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085611910 643622738 /nfs/dbraw/zinc/62/27/38/643622738.db2.gz FLPGLAMJPZUQGY-MNOVXSKESA-N 0 1 245.388 2.315 20 0 BEADMN Cc1ccc(N(C)C(=O)c2ncccc2O)cc1 ZINC000050009626 643627086 /nfs/dbraw/zinc/62/70/86/643627086.db2.gz LASGBCKACUGMJE-UHFFFAOYSA-N 0 1 242.278 2.372 20 0 BEADMN C/C(=C/C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000084002220 643640512 /nfs/dbraw/zinc/64/05/12/643640512.db2.gz NEYFCZRAYCGXAE-NTMALXAHSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000084002861 643641348 /nfs/dbraw/zinc/64/13/48/643641348.db2.gz CUFATMMJPUFEFR-RNKPRXRFSA-N 0 1 213.321 2.384 20 0 BEADMN CC(C)CO[C@@H]1CCN(C/C=C\Cl)C1 ZINC000255216323 643684627 /nfs/dbraw/zinc/68/46/27/643684627.db2.gz VCLVCIGJEIQFAA-USEMIUTHSA-N 0 1 217.740 2.486 20 0 BEADMN CC(C)CO[C@H]1CCN(C/C=C\Cl)C1 ZINC000255216318 643685140 /nfs/dbraw/zinc/68/51/40/643685140.db2.gz VCLVCIGJEIQFAA-MZBZXASESA-N 0 1 217.740 2.486 20 0 BEADMN COc1cc(C)ccc1CNC1CSC1 ZINC000075152019 643688439 /nfs/dbraw/zinc/68/84/39/643688439.db2.gz SQSBFCPNHKGTOY-UHFFFAOYSA-N 0 1 223.341 2.209 20 0 BEADMN CC[C@H]1CN(CCCc2cccnc2)CCO1 ZINC000929257694 643830209 /nfs/dbraw/zinc/83/02/09/643830209.db2.gz PKVOCKHNEULRCG-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN C[C@@H](CF)NCc1cnn(C2CCC2)c1 ZINC000922145163 643872013 /nfs/dbraw/zinc/87/20/13/643872013.db2.gz OXQANRLZEOTXHY-VIFPVBQESA-N 0 1 211.284 2.056 20 0 BEADMN CCO[C@H]1CCC[C@H](NC(CF)CF)C1 ZINC000922150563 643874049 /nfs/dbraw/zinc/87/40/49/643874049.db2.gz AQVHCICHQRGFIL-ONGXEEELSA-N 0 1 221.291 2.231 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccnn1C1CCC1 ZINC000922287070 643954195 /nfs/dbraw/zinc/95/41/95/643954195.db2.gz GXZKZZAZYVFGGY-KGLIPLIRSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cc2n(n1)CCCC2 ZINC000922509236 644007297 /nfs/dbraw/zinc/00/72/97/644007297.db2.gz CROXLAYQBKVWHG-QPKOPYBWSA-N 0 1 245.370 2.354 20 0 BEADMN Cn1nccc1CN[C@H](c1ccccn1)C1CC1 ZINC000922585866 644036607 /nfs/dbraw/zinc/03/66/07/644036607.db2.gz HOZPZILLNQHSAY-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN CC(C)c1cnc(CN[C@H]2COC[C@@H]2C)s1 ZINC000922642085 644056192 /nfs/dbraw/zinc/05/61/92/644056192.db2.gz PDRPVFNDVPEBRJ-UWVGGRQHSA-N 0 1 240.372 2.391 20 0 BEADMN COCc1cc(CNCCC2CC=CC2)no1 ZINC000922733831 644082618 /nfs/dbraw/zinc/08/26/18/644082618.db2.gz AFLBKSGLZXMCBV-UHFFFAOYSA-N 0 1 236.315 2.267 20 0 BEADMN C[C@]1(CNCc2nccs2)CCCCO1 ZINC000922815313 644105223 /nfs/dbraw/zinc/10/52/23/644105223.db2.gz AJQUIMVIIYFXEQ-LLVKDONJSA-N 0 1 226.345 2.192 20 0 BEADMN CCC[C@H](O)CCNCc1ncc(CC)s1 ZINC000922817827 644106793 /nfs/dbraw/zinc/10/67/93/644106793.db2.gz ASEXNVNWZBOMJR-JTQLQIEISA-N 0 1 242.388 2.346 20 0 BEADMN C#CCN(C)CCOc1ccc(Cl)c(F)c1 ZINC000192239696 644139222 /nfs/dbraw/zinc/13/92/22/644139222.db2.gz GNYNAPQVPAOXMF-UHFFFAOYSA-N 0 1 241.693 2.423 20 0 BEADMN CC(C)CCN(CN1CCOC1=S)C1CC1 ZINC000192767322 644181802 /nfs/dbraw/zinc/18/18/02/644181802.db2.gz HUZDXAQAQMUOPV-UHFFFAOYSA-N 0 1 242.388 2.072 20 0 BEADMN Cc1nocc1CN[C@@H](c1cnn(C)c1)C(C)C ZINC000922896789 644185462 /nfs/dbraw/zinc/18/54/62/644185462.db2.gz ZXVRUUGIPOFPBP-CYBMUJFWSA-N 0 1 248.330 2.203 20 0 BEADMN Cc1nocc1CN[C@H](c1cnn(C)c1)C(C)C ZINC000922896790 644185494 /nfs/dbraw/zinc/18/54/94/644185494.db2.gz ZXVRUUGIPOFPBP-ZDUSSCGKSA-N 0 1 248.330 2.203 20 0 BEADMN CCc1onc(C)c1CNCc1ccn(C)c1 ZINC000922982783 644210173 /nfs/dbraw/zinc/21/01/73/644210173.db2.gz GMIZOVQNFVMURF-UHFFFAOYSA-N 0 1 233.315 2.174 20 0 BEADMN [O-]c1cc(F)c(CC[NH2+]CC2CC2)c(F)c1 ZINC000922976707 644211042 /nfs/dbraw/zinc/21/10/42/644211042.db2.gz OLAGONUZIQGNSR-UHFFFAOYSA-N 0 1 227.254 2.213 20 0 BEADMN Cc1ccc(CNCc2cncc(O)c2)s1 ZINC000922977013 644211564 /nfs/dbraw/zinc/21/15/64/644211564.db2.gz MEJGEONQASDMOD-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN Cc1ncoc1CNC1([C@H]2CCCCO2)CC1 ZINC000923025532 644237750 /nfs/dbraw/zinc/23/77/50/644237750.db2.gz SKZLCARSCHBVRA-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN Cc1ncc(CNC2([C@H]3CCCCO3)CC2)o1 ZINC000923028634 644240765 /nfs/dbraw/zinc/24/07/65/644240765.db2.gz SEKHCQWXNQELKP-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN C=CCCCCCN[C@@H](C)c1nnnn1C1CC1 ZINC000193579978 644256882 /nfs/dbraw/zinc/25/68/82/644256882.db2.gz LRCHXXQDMRGIHI-NSHDSACASA-N 0 1 249.362 2.405 20 0 BEADMN CCc1nc(CSCc2cc(C)on2)n[nH]1 ZINC000193588802 644257379 /nfs/dbraw/zinc/25/73/79/644257379.db2.gz VHMHWGKINFKUCC-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN CCCCCC[C@H](O)C[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000923253849 644301234 /nfs/dbraw/zinc/30/12/34/644301234.db2.gz OUTWKLGZTVAPLR-RYUDHWBXSA-N 0 1 245.363 2.113 20 0 BEADMN COC[C@H](NC[C@@H]1CCC=CO1)c1ccco1 ZINC000194495653 644324304 /nfs/dbraw/zinc/32/43/04/644324304.db2.gz HGHSYFWJSULIIA-RYUDHWBXSA-N 0 1 237.299 2.249 20 0 BEADMN CC1(C)COCCN1CCc1cccs1 ZINC000195313745 644375164 /nfs/dbraw/zinc/37/51/64/644375164.db2.gz GEDSHBNGRHBOGK-UHFFFAOYSA-N 0 1 225.357 2.401 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc(C)c1C ZINC000083410695 644402927 /nfs/dbraw/zinc/40/29/27/644402927.db2.gz SXJSFJOWMXLMPE-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(C)c1 ZINC000083410880 644403079 /nfs/dbraw/zinc/40/30/79/644403079.db2.gz QPTVIPYBXGSCBN-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@@H+](C)CCC(=O)[O-])C1 ZINC000084347439 644423469 /nfs/dbraw/zinc/42/34/69/644423469.db2.gz MVHHIRRYJSHFAC-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccc(C(=O)N2CCNC(C)(C)C2)cc1C ZINC000084565616 644429159 /nfs/dbraw/zinc/42/91/59/644429159.db2.gz QAYRJMMBGYKDDS-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000086809753 644471876 /nfs/dbraw/zinc/47/18/76/644471876.db2.gz CUKKVSSOCNBZBL-NSHDSACASA-N 0 1 237.299 2.356 20 0 BEADMN CCC(=O)N[C@@H]1CCN(C/C=C\Cl)[C@@H](C)C1 ZINC000946932398 644527001 /nfs/dbraw/zinc/52/70/01/644527001.db2.gz JVCAMVHPDCQGHB-LQKZOZGNSA-N 0 1 244.766 2.118 20 0 BEADMN CCn1ncc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000839043879 644554077 /nfs/dbraw/zinc/55/40/77/644554077.db2.gz VGFORSXWPHDPNF-IJLUTSLNSA-N 0 1 236.363 2.164 20 0 BEADMN C[C@@H]1CCCN(CN2CCSC2=O)CC1 ZINC000748084119 644588469 /nfs/dbraw/zinc/58/84/69/644588469.db2.gz QRKFQVDQMKCQRF-SNVBAGLBSA-N 0 1 228.361 2.235 20 0 BEADMN C[C@H]1CCN(Cn2c3ccccc3oc2=O)[C@H]1C ZINC000246700586 644602854 /nfs/dbraw/zinc/60/28/54/644602854.db2.gz FDOVGTBAJORIDF-QWRGUYRKSA-N 0 1 246.310 2.282 20 0 BEADMN C/C(=C\c1ccccc1)CN(C)Cn1cnnc1 ZINC000754859766 644613529 /nfs/dbraw/zinc/61/35/29/644613529.db2.gz YJJQHPMDKOAQNH-MDWZMJQESA-N 0 1 242.326 2.271 20 0 BEADMN Cc1noc(C2CCN(Cc3ccoc3)CC2)n1 ZINC000091836599 644640455 /nfs/dbraw/zinc/64/04/55/644640455.db2.gz POQYFRJNLWJUAL-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc(Cl)cn1C ZINC000091930857 644645078 /nfs/dbraw/zinc/64/50/78/644645078.db2.gz CTWJNFZYDWQODD-UHFFFAOYSA-N 0 1 238.722 2.034 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000092429312 644656868 /nfs/dbraw/zinc/65/68/68/644656868.db2.gz UPPIZBLJGAKVAH-CYBMUJFWSA-N 0 1 232.327 2.191 20 0 BEADMN Cc1ccc(CN2CCC3(C2)OCCO3)c(C)c1 ZINC000093013337 644675358 /nfs/dbraw/zinc/67/53/58/644675358.db2.gz CDXMAKDAKACUNW-UHFFFAOYSA-N 0 1 247.338 2.252 20 0 BEADMN CC(C)(C)CC(C)(C)NC(=O)CN1CCCC1 ZINC000095889894 644779591 /nfs/dbraw/zinc/77/95/91/644779591.db2.gz BEWPISXSWMAJJJ-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@@H]1CN(C/C=C/Cl)CC[C@@H]1C ZINC000251635371 644814805 /nfs/dbraw/zinc/81/48/05/644814805.db2.gz GZXSDPWRBDEODT-AETUYUCGSA-N 0 1 203.713 2.096 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1C[C@H]1C(C)C)N(C)C ZINC000798855087 644826587 /nfs/dbraw/zinc/82/65/87/644826587.db2.gz MLOCUDRRCXSCNC-RWMBFGLXSA-N 0 1 241.375 2.408 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)[C@H](CC)C(=O)[O-] ZINC000251920253 644830397 /nfs/dbraw/zinc/83/03/97/644830397.db2.gz QBQJUZWVBKXZKA-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1noc(C)c1-c1noc([C@@H]2CCCCN2)n1 ZINC000096896365 644848331 /nfs/dbraw/zinc/84/83/31/644848331.db2.gz BEXDLOQGFACVQI-VIFPVBQESA-N 0 1 248.286 2.156 20 0 BEADMN CCN(CN1C[C@](C)(CC)CC1=O)C1CC1 ZINC000808136582 644874405 /nfs/dbraw/zinc/87/44/05/644874405.db2.gz GJPSQXYOORCTEU-CYBMUJFWSA-N 0 1 224.348 2.077 20 0 BEADMN CCCS(=O)(=O)CCN1CCCC[C@H]1CC ZINC000097153194 644874715 /nfs/dbraw/zinc/87/47/15/644874715.db2.gz DEBGXKOCMRVYPP-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN CCCS(=O)(=O)CCN1CCCC[C@@H]1CC ZINC000097153193 644874900 /nfs/dbraw/zinc/87/49/00/644874900.db2.gz DEBGXKOCMRVYPP-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000808139023 644874763 /nfs/dbraw/zinc/87/47/63/644874763.db2.gz OQFJLXWRGKGCRQ-CQSZACIVSA-N 0 1 238.375 2.465 20 0 BEADMN CCCS(=O)(=O)CCN(C)C1CCCCC1 ZINC000097153196 644875767 /nfs/dbraw/zinc/87/57/67/644875767.db2.gz MJKAHXIKHUMSEX-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CC(C)N(Cc1cnc(Cl)s1)C[C@H](C)O ZINC000304790884 644932015 /nfs/dbraw/zinc/93/20/15/644932015.db2.gz RGEZXPVTYUPBMB-QMMMGPOBSA-N 0 1 248.779 2.388 20 0 BEADMN CCCS(=O)(=O)CCN(CC)CC(C)(C)C ZINC000812893454 644935297 /nfs/dbraw/zinc/93/52/97/644935297.db2.gz VCZRTKCQNXAMIP-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN C[C@H](C(=O)N1CCCC2(CCCC2)C1)N(C)C ZINC000822300382 645043247 /nfs/dbraw/zinc/04/32/47/645043247.db2.gz BNRLOLPMOPFNFT-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(F)c1O ZINC000823711235 645049831 /nfs/dbraw/zinc/04/98/31/645049831.db2.gz LIIHPRUGAMDVKN-OPRDCNLKSA-N 0 1 249.285 2.450 20 0 BEADMN CCC(F)(F)CNC(=O)c1cccc(F)c1O ZINC000827279201 645076056 /nfs/dbraw/zinc/07/60/56/645076056.db2.gz UCMFZYBWUWPQLH-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN CCN(CC[S@](C)=O)Cc1ccc(C)cc1 ZINC000827530340 645080678 /nfs/dbraw/zinc/08/06/78/645080678.db2.gz BBIKOHBAGRVYIX-INIZCTEOSA-N 0 1 239.384 2.195 20 0 BEADMN Cc1n[nH]c(C(=O)NCCC2CC=CC2)c1C ZINC000831446722 645129748 /nfs/dbraw/zinc/12/97/48/645129748.db2.gz UOEQIKPXJAGHGX-UHFFFAOYSA-N 0 1 233.315 2.113 20 0 BEADMN CCC(F)(F)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000832297438 645133281 /nfs/dbraw/zinc/13/32/81/645133281.db2.gz SLGCNYSHTMGZBE-SNVBAGLBSA-N 0 1 248.317 2.021 20 0 BEADMN CCC(F)(F)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000832297437 645133613 /nfs/dbraw/zinc/13/36/13/645133613.db2.gz SLGCNYSHTMGZBE-JTQLQIEISA-N 0 1 248.317 2.021 20 0 BEADMN C[C@@H](NCC(C)(C)C(C)(C)O)c1ncco1 ZINC000926547678 645260410 /nfs/dbraw/zinc/26/04/10/645260410.db2.gz NCNAPONIIYJHFS-SECBINFHSA-N 0 1 226.320 2.122 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@H](C)[C@@H]2C)o1 ZINC000926537559 645263853 /nfs/dbraw/zinc/26/38/53/645263853.db2.gz MOENJNHXGFZIFA-HOSYDEDBSA-N 0 1 238.331 2.140 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ncoc2C)no1 ZINC000843224639 645273272 /nfs/dbraw/zinc/27/32/72/645273272.db2.gz QDQNFVUIYWEQDF-ZETCQYMHSA-N 0 1 236.275 2.094 20 0 BEADMN CCCC[C@](C)(CO)NCc1cc(C)on1 ZINC000843426382 645292065 /nfs/dbraw/zinc/29/20/65/645292065.db2.gz WBOYDQDGOOEERC-GFCCVEGCSA-N 0 1 226.320 2.014 20 0 BEADMN CC(C)n1cc([C@@H](C)N[C@H]2CC2(C)C)nn1 ZINC000926580088 645300044 /nfs/dbraw/zinc/30/00/44/645300044.db2.gz LHKYQHGVVSTCAL-KOLCDFICSA-N 0 1 222.336 2.308 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CC2(C)C)on1 ZINC000926580282 645300069 /nfs/dbraw/zinc/30/00/69/645300069.db2.gz NWVFJRMBFWBUQL-CBAPKCEASA-N 0 1 210.277 2.132 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccnnc2)cc(C)n1 ZINC000926600861 645309857 /nfs/dbraw/zinc/30/98/57/645309857.db2.gz LCWNOMUXYOOSLH-GFCCVEGCSA-N 0 1 242.326 2.339 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000926614138 645313797 /nfs/dbraw/zinc/31/37/97/645313797.db2.gz HLWJOSRATZVMTO-BKDNQFJXSA-N 0 1 221.304 2.217 20 0 BEADMN CCn1nc(C)c(CNC2CC3(C2)CCCC3)n1 ZINC000926613570 645314959 /nfs/dbraw/zinc/31/49/59/645314959.db2.gz VGCZJRAJQIWCNW-UHFFFAOYSA-N 0 1 248.374 2.419 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000926614139 645315169 /nfs/dbraw/zinc/31/51/69/645315169.db2.gz HLWJOSRATZVMTO-PPKCKEKNSA-N 0 1 221.304 2.217 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C2CC2)[C@H](CC)CO1 ZINC000844384218 645325201 /nfs/dbraw/zinc/32/52/01/645325201.db2.gz DHNBEYWYVFQFMV-CHWSQXEVSA-N 0 1 239.359 2.245 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CCS[C@@H]2C)on1 ZINC000926640082 645327576 /nfs/dbraw/zinc/32/75/76/645327576.db2.gz CFQXYXCVILOWOE-DJLDLDEBSA-N 0 1 242.344 2.228 20 0 BEADMN CCCN(CC)CN1C(=O)CC12CCCC2 ZINC000844689441 645343516 /nfs/dbraw/zinc/34/35/16/645343516.db2.gz CEDGTLABQNCPTD-UHFFFAOYSA-N 0 1 224.348 2.221 20 0 BEADMN C[C@@H]1OC[C@H](NCc2noc3ccccc32)[C@@H]1C ZINC000926672633 645348098 /nfs/dbraw/zinc/34/80/98/645348098.db2.gz HJDGMUNROIDYKT-NRUUGDAUSA-N 0 1 246.310 2.341 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H](C)c1ccccn1 ZINC000926674402 645350935 /nfs/dbraw/zinc/35/09/35/645350935.db2.gz DJJDNZLHHFASBQ-UWVGGRQHSA-N 0 1 246.314 2.227 20 0 BEADMN Cc1ccncc1CCN[C@@H](C)c1ncco1 ZINC000926690315 645359775 /nfs/dbraw/zinc/35/97/75/645359775.db2.gz RNCNUHDRUMYIIV-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cn(C)cn1 ZINC000926718258 645380978 /nfs/dbraw/zinc/38/09/78/645380978.db2.gz LARIFHHIDPVUNR-PSASIEDQSA-N 0 1 243.301 2.362 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1CC1(F)F ZINC000926737259 645393871 /nfs/dbraw/zinc/39/38/71/645393871.db2.gz OIZZJZDKQBUEED-POYBYMJQSA-N 0 1 231.246 2.074 20 0 BEADMN CON1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000846979182 645409778 /nfs/dbraw/zinc/40/97/78/645409778.db2.gz YMEDEIJKHGMCJZ-UHFFFAOYSA-N 0 1 248.370 2.291 20 0 BEADMN C/C=C\CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926769736 645416074 /nfs/dbraw/zinc/41/60/74/645416074.db2.gz KBEIYPPFPHQRIU-DLRQAJBASA-N 0 1 219.332 2.446 20 0 BEADMN C/C=C/CN[C@@H](C)c1cc(OC)ccn1 ZINC000926770947 645417803 /nfs/dbraw/zinc/41/78/03/645417803.db2.gz WVNJSZHTSSEZAL-YEZKRMTDSA-N 0 1 206.289 2.317 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@H]1CCSC1 ZINC000926779470 645427507 /nfs/dbraw/zinc/42/75/07/645427507.db2.gz ROLWKRBPGSPZPH-WPRPVWTQSA-N 0 1 241.360 2.172 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000926885759 645474727 /nfs/dbraw/zinc/47/47/27/645474727.db2.gz BOEKTPZWTREDGF-BIWRJHGTSA-N 0 1 221.304 2.073 20 0 BEADMN CCC[C@H](O)CCN[C@@H](C)c1cscn1 ZINC000927018884 645509279 /nfs/dbraw/zinc/50/92/79/645509279.db2.gz PTALBGXUWWDMIY-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@@H](O)CCN[C@H](C)c1nccs1 ZINC000927019809 645516937 /nfs/dbraw/zinc/51/69/37/645516937.db2.gz UPVKLAOWITXEQE-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN CCOC[C@H](C)NCc1c(C)noc1CC ZINC000927139619 645567015 /nfs/dbraw/zinc/56/70/15/645567015.db2.gz MLAKWHKUVBXOIG-VIFPVBQESA-N 0 1 226.320 2.060 20 0 BEADMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1cn(C)cn1 ZINC000927158822 645577466 /nfs/dbraw/zinc/57/74/66/645577466.db2.gz KHAMWXXEKJZRBY-WCQYABFASA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1cnccn1 ZINC000927164587 645579620 /nfs/dbraw/zinc/57/96/20/645579620.db2.gz YHUGSBWLRVCPQP-AAEUAGOBSA-N 0 1 247.342 2.229 20 0 BEADMN C[C@@H](NCc1nc(Cl)cs1)C1(CO)CC1 ZINC000877625498 645802546 /nfs/dbraw/zinc/80/25/46/645802546.db2.gz ORMQNXJUIDXIID-SSDOTTSWSA-N 0 1 246.763 2.047 20 0 BEADMN CCCC[C@H](C(=O)NC[C@@H]1CCN1C)C(C)C ZINC000928551135 645804699 /nfs/dbraw/zinc/80/46/99/645804699.db2.gz LGUWNGZUAKTLIS-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC000928553725 645810150 /nfs/dbraw/zinc/81/01/50/645810150.db2.gz FHQHCJYJAZMQJL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCC[C@@H](C)C(=O)NC[C@H]1CCN1C ZINC000928563498 645822541 /nfs/dbraw/zinc/82/25/41/645822541.db2.gz MPSGWOKRYOSMGP-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCN1C ZINC000928566856 645828170 /nfs/dbraw/zinc/82/81/70/645828170.db2.gz RWAHVOJATKFPRO-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](CC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928572968 645833443 /nfs/dbraw/zinc/83/34/43/645833443.db2.gz MEZCHZMOUMZUIG-GXTWGEPZSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C(C)C)nc1 ZINC000928621685 645848376 /nfs/dbraw/zinc/84/83/76/645848376.db2.gz JGHCGMNFHLHRGK-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN C[C@@H](NC1(C2CC2)CCC1)c1nccc(N)n1 ZINC000887148562 645894051 /nfs/dbraw/zinc/89/40/51/645894051.db2.gz JNGRDDSRTXTFAX-SECBINFHSA-N 0 1 232.331 2.042 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000925484023 645919450 /nfs/dbraw/zinc/91/94/50/645919450.db2.gz BQGOETPTMDQCQZ-CHWFTXMASA-N 0 1 220.320 2.062 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000925484026 645919502 /nfs/dbraw/zinc/91/95/02/645919502.db2.gz BQGOETPTMDQCQZ-VLEAKVRGSA-N 0 1 220.320 2.062 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000928998205 645925344 /nfs/dbraw/zinc/92/53/44/645925344.db2.gz SKGLGOXYQFRRPG-ILWJIGKKSA-N 0 1 241.285 2.133 20 0 BEADMN Cc1nnc(CCN(C)Cc2ccccc2F)o1 ZINC000929121435 645956188 /nfs/dbraw/zinc/95/61/88/645956188.db2.gz JXTLFJNBZRDKAZ-UHFFFAOYSA-N 0 1 249.289 2.192 20 0 BEADMN CCCCN(CC)Cc1noc2c1COCC2 ZINC000929142235 645968116 /nfs/dbraw/zinc/96/81/16/645968116.db2.gz AVWKVXFTEHYSJE-UHFFFAOYSA-N 0 1 238.331 2.369 20 0 BEADMN CC(C)N1CCC[C@H]1c1nc(-c2cn[nH]c2)no1 ZINC000924095508 645977576 /nfs/dbraw/zinc/97/75/76/645977576.db2.gz LJJJKLRYJRZIFZ-JTQLQIEISA-N 0 1 247.302 2.005 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000924413054 646031245 /nfs/dbraw/zinc/03/12/45/646031245.db2.gz PWVMPBZDLUZRBA-NOZJJQNGSA-N 0 1 249.314 2.328 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1ccc(F)cc1 ZINC000924525264 646045283 /nfs/dbraw/zinc/04/52/83/646045283.db2.gz MFHRDSBYNWLBFL-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN CCCCN(Cc1nn(C)cc1C)C1CC1 ZINC000929266261 646046672 /nfs/dbraw/zinc/04/66/72/646046672.db2.gz JMDGXQJGHYZKRN-UHFFFAOYSA-N 0 1 221.348 2.493 20 0 BEADMN CCC[C@H](C)N[C@H](C)c1cc(CO)on1 ZINC000924528252 646048099 /nfs/dbraw/zinc/04/80/99/646048099.db2.gz LVURPEFOPRUDHC-DTWKUNHWSA-N 0 1 212.293 2.006 20 0 BEADMN Cc1cn(C)nc1CN(C)CCC(C)C ZINC000929292857 646069287 /nfs/dbraw/zinc/06/92/87/646069287.db2.gz HYGRXLARWKOAMN-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1cccs1 ZINC000924555233 646066462 /nfs/dbraw/zinc/06/64/62/646066462.db2.gz ZCBXQXVONRSOLW-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@H]1C[C@H](NCCc2ccsc2)c2ncnn21 ZINC000924604068 646074319 /nfs/dbraw/zinc/07/43/19/646074319.db2.gz YPOSRFXPBWVWMU-ONGXEEELSA-N 0 1 248.355 2.178 20 0 BEADMN CCOCCOCCN(C)[C@@H](C)c1ccco1 ZINC000929370745 646100719 /nfs/dbraw/zinc/10/07/19/646100719.db2.gz RXPHNAYEOCRUHS-LBPRGKRZSA-N 0 1 241.331 2.326 20 0 BEADMN CCC(CC)N(Cc1cn(CC)nn1)C1CC1 ZINC000929476994 646133926 /nfs/dbraw/zinc/13/39/26/646133926.db2.gz TXFBBRXQMWEFEU-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN CC[C@H]1CCCN1CC[S@@](=O)C(F)(F)F ZINC000929492536 646147184 /nfs/dbraw/zinc/14/71/84/646147184.db2.gz PIHXKPSOXXMBSS-VXJOIVPMSA-N 0 1 243.294 2.129 20 0 BEADMN CC[C@@H]1CCCN1Cc1noc2c1COCC2 ZINC000929492822 646148505 /nfs/dbraw/zinc/14/85/05/646148505.db2.gz SXZLKIKITXEVKC-SNVBAGLBSA-N 0 1 236.315 2.122 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCOC1 ZINC000924988677 646151461 /nfs/dbraw/zinc/15/14/61/646151461.db2.gz SUCFXQTVIWXQJV-QWRGUYRKSA-N 0 1 236.315 2.129 20 0 BEADMN CCCCN(CCO)Cc1c(C)noc1CC ZINC000929513663 646161446 /nfs/dbraw/zinc/16/14/46/646161446.db2.gz KUAPDZNBCULTQD-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN CSC[C@@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925094858 646181485 /nfs/dbraw/zinc/18/14/85/646181485.db2.gz HYAKIQRHRPOZKC-NXEZZACHSA-N 0 1 242.392 2.261 20 0 BEADMN CSCCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925094940 646182470 /nfs/dbraw/zinc/18/24/70/646182470.db2.gz QGWVTNYYVAROOZ-JTQLQIEISA-N 0 1 242.392 2.263 20 0 BEADMN CSCCCCN[C@@H](C)c1nonc1C ZINC000925098623 646184204 /nfs/dbraw/zinc/18/42/04/646184204.db2.gz OAUGYUUMIUWVPR-QMMMGPOBSA-N 0 1 229.349 2.172 20 0 BEADMN CSCCCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000925100608 646184768 /nfs/dbraw/zinc/18/47/68/646184768.db2.gz UNTOUDVOWQKDAQ-ZJUUUORDSA-N 0 1 240.376 2.017 20 0 BEADMN COc1cc([C@@H](C)N[C@@H]2CCCSC2)on1 ZINC000925218665 646212063 /nfs/dbraw/zinc/21/20/63/646212063.db2.gz NEYCEMFZISAKQJ-RKDXNWHRSA-N 0 1 242.344 2.229 20 0 BEADMN Cc1nc(C)c(CN2C[C@H](C)S[C@@H](C)C2)[nH]1 ZINC000929725908 646273499 /nfs/dbraw/zinc/27/34/99/646273499.db2.gz NEMZAKICJHRPBZ-IUCAKERBSA-N 0 1 239.388 2.352 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]c(C)nc2C)CCS1 ZINC000929753333 646284276 /nfs/dbraw/zinc/28/42/76/646284276.db2.gz NRSYYLHGNQKVGU-LLVKDONJSA-N 0 1 239.388 2.354 20 0 BEADMN CC(C)n1cc([C@@H](C)NC2CC(C)C2)nn1 ZINC000925486613 646297998 /nfs/dbraw/zinc/29/79/98/646297998.db2.gz JLRQDALZDQZOFM-HSOILSAZSA-N 0 1 222.336 2.308 20 0 BEADMN CCn1nc(C)c([C@H](C)NCC2(CC)CC2)n1 ZINC000925499464 646303878 /nfs/dbraw/zinc/30/38/78/646303878.db2.gz ZDGAROWTDFSGCS-JTQLQIEISA-N 0 1 236.363 2.447 20 0 BEADMN CCC1(CN[C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000925498948 646304569 /nfs/dbraw/zinc/30/45/69/646304569.db2.gz UKCHFCDUWROVSN-NXEZZACHSA-N 0 1 220.320 2.064 20 0 BEADMN CCCC1(CN[C@@H](C)c2cc(CO)on2)CC1 ZINC000925533080 646319966 /nfs/dbraw/zinc/31/99/66/646319966.db2.gz JBYNRMMTKOSXKN-JTQLQIEISA-N 0 1 238.331 2.398 20 0 BEADMN Cc1cccc(C)c1CN[C@@H](C)c1cnnn1C ZINC000925544934 646324710 /nfs/dbraw/zinc/32/47/10/646324710.db2.gz FJQBZJORGQDOMP-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](N[C@H]1CCCC(F)(F)C1)c1cnn(C)n1 ZINC000925561917 646334959 /nfs/dbraw/zinc/33/49/59/646334959.db2.gz MKQSZBMMWCUXSW-IUCAKERBSA-N 0 1 244.289 2.044 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1CC(C)C1 ZINC000929834799 646346800 /nfs/dbraw/zinc/34/68/00/646346800.db2.gz LAMPLPACPARHAE-MOENNCHZSA-N 0 1 227.348 2.304 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC2(CCC2)C1 ZINC000929830078 646346832 /nfs/dbraw/zinc/34/68/32/646346832.db2.gz ZCOMPXWVNAZEGS-NSHDSACASA-N 0 1 217.316 2.414 20 0 BEADMN COC/C(C)=C\CN1CCOC(C)(C)[C@H]1C ZINC000929840689 646353435 /nfs/dbraw/zinc/35/34/35/646353435.db2.gz FJBGXXSLIYZQMA-HUMZTAOYSA-N 0 1 227.348 2.078 20 0 BEADMN CCCCC1(C(=O)NCc2cn[nH]c2C)CC1 ZINC000929916240 646374308 /nfs/dbraw/zinc/37/43/08/646374308.db2.gz PSQVRCPQUKDFOV-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN Cc1cncc(CN[C@H](C)c2ccnnc2)c1 ZINC000925644843 646385036 /nfs/dbraw/zinc/38/50/36/646385036.db2.gz LZSLJHREOWYPQW-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN CSCC[C@@H](C)[N@@H+](C)Cc1nn(C)cc1C ZINC000929985753 646385523 /nfs/dbraw/zinc/38/55/23/646385523.db2.gz FRFPAWXMEYJRAD-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1nn(C)cc1C ZINC000929985753 646385528 /nfs/dbraw/zinc/38/55/28/646385528.db2.gz FRFPAWXMEYJRAD-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN COC/C(C)=C\CN1CCc2ccc(O)cc2C1 ZINC000929992205 646386939 /nfs/dbraw/zinc/38/69/39/646386939.db2.gz NUNGNTSZEXKYMF-XGICHPGQSA-N 0 1 247.338 2.343 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccnnc1 ZINC000925646609 646387391 /nfs/dbraw/zinc/38/73/91/646387391.db2.gz VINIEQMUWWLTEF-ZJUUUORDSA-N 0 1 216.288 2.217 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)C2(Cl)CC2)n[nH]1 ZINC000925658027 646395164 /nfs/dbraw/zinc/39/51/64/646395164.db2.gz QLTOBLFLRWZCOL-SFYZADRCSA-N 0 1 242.754 2.178 20 0 BEADMN CC[C@H](CSC)N[C@H](C)c1ncco1 ZINC000925690322 646416948 /nfs/dbraw/zinc/41/69/48/646416948.db2.gz IWKKDLIOUSNGDL-RKDXNWHRSA-N 0 1 214.334 2.467 20 0 BEADMN CC1=CCN(Cc2cnn(CCF)c2)CC1 ZINC000930093521 646431742 /nfs/dbraw/zinc/43/17/42/646431742.db2.gz CPNKUWALZZPCNQ-UHFFFAOYSA-N 0 1 223.295 2.005 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CC[C@@H](C(F)F)C1 ZINC000930127797 646448922 /nfs/dbraw/zinc/44/89/22/646448922.db2.gz RPWNDELTTHVUCL-HTQZYQBOSA-N 0 1 247.314 2.495 20 0 BEADMN COC/C(C)=C\CN1CC2(C1)CC(F)(F)C2 ZINC000930129576 646452412 /nfs/dbraw/zinc/45/24/12/646452412.db2.gz XRNNRIYHLBBHFU-KMKOMSMNSA-N 0 1 231.286 2.310 20 0 BEADMN COC/C(C)=C\CN1CCOCC12CCCC2 ZINC000930133039 646454566 /nfs/dbraw/zinc/45/45/66/646454566.db2.gz DVYLEZSXZZZMCW-ACAGNQJTSA-N 0 1 239.359 2.224 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@](C)(O)C1 ZINC000930147628 646458570 /nfs/dbraw/zinc/45/85/70/646458570.db2.gz VPJHEBUBYNMSSY-GWCFXTLKSA-N 0 1 238.306 2.129 20 0 BEADMN COCC1(C)CCN([C@H](C)c2ncccn2)CC1 ZINC000930180079 646482644 /nfs/dbraw/zinc/48/26/44/646482644.db2.gz UAZWJQVPLKXXDO-GFCCVEGCSA-N 0 1 249.358 2.286 20 0 BEADMN C[C@H](NC1(c2ccccc2)CC1)c1cnnn1C ZINC000925826172 646497959 /nfs/dbraw/zinc/49/79/59/646497959.db2.gz KYOIYFGDECWBGH-NSHDSACASA-N 0 1 242.326 2.155 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1ccc(F)c(Cl)c1 ZINC000925863725 646516775 /nfs/dbraw/zinc/51/67/75/646516775.db2.gz DAKGZHVXCUNDLS-IONNQARKSA-N 0 1 244.697 2.033 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870045 646522891 /nfs/dbraw/zinc/52/28/91/646522891.db2.gz NZCIQFYMUROHJB-UHIISALHSA-N 0 1 232.327 2.118 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1ccc2ccccc2c1 ZINC000925872793 646523416 /nfs/dbraw/zinc/52/34/16/646523416.db2.gz ISFRKTRRQHHPKE-NHYWBVRUSA-N 0 1 242.322 2.394 20 0 BEADMN C[C@H]1COC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000925883568 646533005 /nfs/dbraw/zinc/53/30/05/646533005.db2.gz KOHIKEOWLKCSTL-GWCFXTLKSA-N 0 1 235.302 2.439 20 0 BEADMN COCC1(N[C@H](C)c2cccc3c2OCO3)CC1 ZINC000925924669 646542353 /nfs/dbraw/zinc/54/23/53/646542353.db2.gz YFVNLSDRYFTDMX-SNVBAGLBSA-N 0 1 249.310 2.245 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)C[C@@H](C)O ZINC000926130530 646581100 /nfs/dbraw/zinc/58/11/00/646581100.db2.gz LTWCZOPYPXCASA-KKZNHRDASA-N 0 1 238.331 2.109 20 0 BEADMN C[C@@H](N[C@@H](CCO)c1ccco1)C1(Cl)CC1 ZINC000926195867 646592772 /nfs/dbraw/zinc/59/27/72/646592772.db2.gz GJKWHWSNDXICOB-ZJUUUORDSA-N 0 1 243.734 2.453 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NCCC(C)(C)O ZINC000926212539 646596184 /nfs/dbraw/zinc/59/61/84/646596184.db2.gz KXGPMFLOKDQHRM-SNVBAGLBSA-N 0 1 238.331 2.111 20 0 BEADMN CCOC[C@H](C)N[C@@H](C)c1cc(OC)ccn1 ZINC000926222638 646596748 /nfs/dbraw/zinc/59/67/48/646596748.db2.gz CNQLQOCVQGEXSE-QWRGUYRKSA-N 0 1 238.331 2.166 20 0 BEADMN C[C@H](NC[C@@H]1CC12CCOCC2)c1ncco1 ZINC000926228632 646599274 /nfs/dbraw/zinc/59/92/74/646599274.db2.gz OOJSVKBWRRSTFN-QWRGUYRKSA-N 0 1 236.315 2.142 20 0 BEADMN C[C@@H](N[C@@H]1CC12CCCC2)c1cc(CO)on1 ZINC000926281157 646609902 /nfs/dbraw/zinc/60/99/02/646609902.db2.gz NDCPYIGNWXTYJV-BXKDBHETSA-N 0 1 236.315 2.150 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CC23CCCC3)c2ncnn21 ZINC000926282220 646609988 /nfs/dbraw/zinc/60/99/88/646609988.db2.gz BZXPBYGXOOBSEL-GMTAPVOTSA-N 0 1 232.331 2.206 20 0 BEADMN CCSCCCN[C@H](C)c1nonc1C ZINC000926361840 646622373 /nfs/dbraw/zinc/62/23/73/646622373.db2.gz PKNLHXVLGXLNHN-MRVPVSSYSA-N 0 1 229.349 2.172 20 0 BEADMN C[C@H]1COC[C@@H](C)[C@@H]1N[C@@H]1CCCC1(F)F ZINC000926428192 646635564 /nfs/dbraw/zinc/63/55/64/646635564.db2.gz HHHKFCKHXASORE-YTWAJWBKSA-N 0 1 233.302 2.435 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1cnn(C)n1 ZINC000926424030 646635631 /nfs/dbraw/zinc/63/56/31/646635631.db2.gz UEOGWOZUVMJGHJ-BXUZGUMPSA-N 0 1 248.374 2.430 20 0 BEADMN Cc1nonc1[C@H](C)NCCC1(F)CCC1 ZINC000926425642 646635768 /nfs/dbraw/zinc/63/57/68/646635768.db2.gz HTCCOEGPQJTBGE-QMMMGPOBSA-N 0 1 227.283 2.311 20 0 BEADMN C[C@H](NC[C@@H]1CCCSC1)c1ncco1 ZINC000926429539 646637332 /nfs/dbraw/zinc/63/73/32/646637332.db2.gz HJPFANPYYBXSBN-UWVGGRQHSA-N 0 1 226.345 2.468 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCO[C@@H]1C ZINC000926470811 646651837 /nfs/dbraw/zinc/65/18/37/646651837.db2.gz GUDPLCDEAVLLBR-FBIMIBRVSA-N 0 1 236.315 2.127 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000926490796 646661492 /nfs/dbraw/zinc/66/14/92/646661492.db2.gz YTDNILGDVMRFPC-MADCSZMMSA-N 0 1 245.244 2.228 20 0 BEADMN CCCCC1(N[C@H](C)c2nccc(N)n2)CC1 ZINC000934203346 711575270 /nfs/dbraw/zinc/57/52/70/711575270.db2.gz RCUSBYBFYLMWRW-SNVBAGLBSA-N 0 1 234.347 2.432 20 0 BEADMN COC[C@H](C)CNCc1nc(C(C)(C)C)co1 ZINC000724408540 711578691 /nfs/dbraw/zinc/57/86/91/711578691.db2.gz RUVKLDMIQZPXCL-SNVBAGLBSA-N 0 1 240.347 2.344 20 0 BEADMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000724883801 711625497 /nfs/dbraw/zinc/62/54/97/711625497.db2.gz STCHTWMTKLCSHO-DMDPSCGWSA-N 0 1 239.315 2.043 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309621642 711654692 /nfs/dbraw/zinc/65/46/92/711654692.db2.gz HPAXLEATCMOUOR-JLLWLGSASA-N 0 1 221.304 2.046 20 0 BEADMN CS[C@H]1CC[C@H](NCc2cocn2)C1 ZINC000308736866 711691402 /nfs/dbraw/zinc/69/14/02/711691402.db2.gz LTPVJUSRMYGPGA-WPRPVWTQSA-N 0 1 212.318 2.048 20 0 BEADMN Cc1coc(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000895563376 711781060 /nfs/dbraw/zinc/78/10/60/711781060.db2.gz CNTUISWDXQYOQB-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(F)cc(Cl)c1 ZINC000160091487 711805818 /nfs/dbraw/zinc/80/58/18/711805818.db2.gz YQJFJEUABKMMMT-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CCCN[C@H](C)c1nc([C@H]2C[C@@H]2C)no1 ZINC000083810943 711810245 /nfs/dbraw/zinc/81/02/45/711810245.db2.gz JWDBQQDGQFAVDC-YIZRAAEISA-N 0 1 209.293 2.254 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2CO[C@@H](C)C2)c1 ZINC000922216539 711960181 /nfs/dbraw/zinc/96/01/81/711960181.db2.gz XZFPQTBPDBQNCQ-ONGXEEELSA-N 0 1 240.734 2.310 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(C(F)F)CC2)n1 ZINC000700029694 711983261 /nfs/dbraw/zinc/98/32/61/711983261.db2.gz WNNNOFCBGVTNOL-LURJTMIESA-N 0 1 231.246 2.022 20 0 BEADMN Cc1ccc(F)c(CNC2CSC2)c1 ZINC000701971812 712033770 /nfs/dbraw/zinc/03/37/70/712033770.db2.gz AOEKLWLWRWSLTK-UHFFFAOYSA-N 0 1 211.305 2.339 20 0 BEADMN Cc1cccc(CNC2CSC2)c1F ZINC000702031103 712036895 /nfs/dbraw/zinc/03/68/95/712036895.db2.gz UHISQBXZVPKBAD-UHFFFAOYSA-N 0 1 211.305 2.339 20 0 BEADMN CCc1nnc(CNCCC(C)(C)F)s1 ZINC000702697415 712060170 /nfs/dbraw/zinc/06/01/70/712060170.db2.gz YGDCNIAHNFHEOO-UHFFFAOYSA-N 0 1 231.340 2.328 20 0 BEADMN CCc1nnc(CN[C@]23C[C@H]2CCC3)s1 ZINC000702684490 712059463 /nfs/dbraw/zinc/05/94/63/712059463.db2.gz MFGGWOFDFQXAIK-LDYMZIIASA-N 0 1 223.345 2.133 20 0 BEADMN Cc1[nH+]c(NCC[C@H](C)F)ccc1C(=O)[O-] ZINC000705804473 712135839 /nfs/dbraw/zinc/13/58/39/712135839.db2.gz MANQAXSLKOWVAJ-ZETCQYMHSA-N 0 1 226.251 2.248 20 0 BEADMN COCC1(NCc2ccc(Cl)cn2)CCC1 ZINC000707454275 712171238 /nfs/dbraw/zinc/17/12/38/712171238.db2.gz QOXINVVLXUFMIL-UHFFFAOYSA-N 0 1 240.734 2.394 20 0 BEADMN CSC1CC(N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000708256147 712184759 /nfs/dbraw/zinc/18/47/59/712184759.db2.gz DEJYNNVNWPHGPC-PMUOWJKOSA-N 0 1 237.372 2.373 20 0 BEADMN c1snnc1CNC[C@@]12C[C@@H]1CCCC2 ZINC000710494526 712253756 /nfs/dbraw/zinc/25/37/56/712253756.db2.gz TWFCMNNAHKKGOR-GXSJLCMTSA-N 0 1 223.345 2.208 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000711446023 712301020 /nfs/dbraw/zinc/30/10/20/712301020.db2.gz BDQPDPROHHAJAW-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC[C@@H](CF)C1 ZINC000711476725 712304683 /nfs/dbraw/zinc/30/46/83/712304683.db2.gz OAQMFNNOGWWYBF-NWDGAFQWSA-N 0 1 245.338 2.256 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCCOC1CC1 ZINC000711658897 712314715 /nfs/dbraw/zinc/31/47/15/712314715.db2.gz PQAOJPPLHWHQHT-QMMMGPOBSA-N 0 1 224.304 2.121 20 0 BEADMN CC1(C)SC[C@@H]1NCc1nccn1C1CC1 ZINC000711764922 712327350 /nfs/dbraw/zinc/32/73/50/712327350.db2.gz MVIQLCDNTGOGLG-JTQLQIEISA-N 0 1 237.372 2.202 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])CCS1 ZINC000379446748 712384729 /nfs/dbraw/zinc/38/47/29/712384729.db2.gz DYGQCLQRCOKELF-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN OCCCCCCNc1ncc(Cl)s1 ZINC000379634856 712390948 /nfs/dbraw/zinc/39/09/48/712390948.db2.gz QHFOVYQEKQAHOC-UHFFFAOYSA-N 0 1 234.752 2.183 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000379714522 712393223 /nfs/dbraw/zinc/39/32/23/712393223.db2.gz POIIPKXVIDIBFX-OLKPEBQYSA-N 0 1 231.361 2.091 20 0 BEADMN C=C/C=C\CC[N@H+](CC(=O)[O-])C1CCCC1 ZINC000713701530 712469360 /nfs/dbraw/zinc/46/93/60/712469360.db2.gz JUKRXWSDNDBSBB-ARJAWSKDSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000713702515 712469511 /nfs/dbraw/zinc/46/95/11/712469511.db2.gz NRFCXVQDWJFELP-UFFNRZRYSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000713716070 712469929 /nfs/dbraw/zinc/46/99/29/712469929.db2.gz HLYKILUEWAJAAQ-GKUNOOHESA-N 0 1 223.316 2.304 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714336169 712482628 /nfs/dbraw/zinc/48/26/28/712482628.db2.gz BLUPRDULYCNWNA-LLVKDONJSA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714339316 712482765 /nfs/dbraw/zinc/48/27/65/712482765.db2.gz NRZRVHPLAUNORM-QWRGUYRKSA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000715438306 712518998 /nfs/dbraw/zinc/51/89/98/712518998.db2.gz DDBAREFCJMADCQ-GRYCIOLGSA-N 0 1 225.332 2.218 20 0 BEADMN CCCn1cc([C@H](C)NC2CC(C)C2)nn1 ZINC000715840372 712535118 /nfs/dbraw/zinc/53/51/18/712535118.db2.gz FZMQNENLJZMKDJ-YVNMAJEFSA-N 0 1 222.336 2.137 20 0 BEADMN CC[C@@H](C[C@@H](C)O)NCc1csc(C)n1 ZINC000716953355 712599551 /nfs/dbraw/zinc/59/95/51/712599551.db2.gz HJUFFZQVHKCVCK-SCZZXKLOSA-N 0 1 228.361 2.091 20 0 BEADMN Cc1ccnc(CNC2(C3CC3)CCC2)n1 ZINC000717836493 712686328 /nfs/dbraw/zinc/68/63/28/712686328.db2.gz SLBSMNHAKHWSEP-UHFFFAOYSA-N 0 1 217.316 2.207 20 0 BEADMN CCC1(CN[C@@H](C)c2nonc2C)CC1 ZINC000925498515 712699388 /nfs/dbraw/zinc/69/93/88/712699388.db2.gz PYNXINSHEYJLGD-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Clc1ncc(CNC2CSC2)s1 ZINC000718148897 712748511 /nfs/dbraw/zinc/74/85/11/712748511.db2.gz SYAOKDNVMBBEAW-UHFFFAOYSA-N 0 1 220.750 2.002 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC(C)(F)F)C[C@H]1C(=O)[O-] ZINC000718647983 712776783 /nfs/dbraw/zinc/77/67/83/712776783.db2.gz RVTGRGBPTHPDLY-VHSXEESVSA-N 0 1 249.301 2.464 20 0 BEADMN CS[C@H]1CC[C@@H](NCc2cc(C)on2)C1 ZINC000720411371 712840960 /nfs/dbraw/zinc/84/09/60/712840960.db2.gz GNMVLCRZYSGQMZ-KOLCDFICSA-N 0 1 226.345 2.357 20 0 BEADMN CC(=O)NC[C@@H]1CCN1Cc1cc(C)cc(C)c1 ZINC001037989743 712897152 /nfs/dbraw/zinc/89/71/52/712897152.db2.gz FAHYSYCIJNGJKR-HNNXBMFYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1noc([C@H](C)NCCc2cccs2)n1 ZINC000381326913 710623057 /nfs/dbraw/zinc/62/30/57/710623057.db2.gz RKSSZOMGWQJESF-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN CS/C=C/c1nc([C@@H](N)C(C)C)no1 ZINC000393606262 710633544 /nfs/dbraw/zinc/63/35/44/710633544.db2.gz MLRZVFYJLVKWGA-ZJELKQJVSA-N 0 1 213.306 2.059 20 0 BEADMN Cc1nc(CN2CC[C@@H](C(C)(C)O)C2)cs1 ZINC000721803454 710685006 /nfs/dbraw/zinc/68/50/06/710685006.db2.gz HONGRENAJNRZCX-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000380558522 712901527 /nfs/dbraw/zinc/90/15/27/712901527.db2.gz RKLDZVXTFYBAHZ-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CCNc1ccccc1CNCc1cnn(C)c1 ZINC000902092776 710877551 /nfs/dbraw/zinc/87/75/51/710877551.db2.gz JPZBTFMTCFCPFB-UHFFFAOYSA-N 0 1 244.342 2.142 20 0 BEADMN O=C([O-])/C=C/c1ccc(C[N@@H+]2CC=CCC2)o1 ZINC000902132058 710878325 /nfs/dbraw/zinc/87/83/25/710878325.db2.gz RICDXRPWQFMUEA-VOTSOKGWSA-N 0 1 233.267 2.139 20 0 BEADMN CC[N@@H+](C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902094277 710878461 /nfs/dbraw/zinc/87/84/61/710878461.db2.gz DNVXSUFJRQNLNV-UHFFFAOYSA-N 0 1 244.294 2.385 20 0 BEADMN CC(C)C1(O)CN(C[C@H](C)c2ccccc2)C1 ZINC000384329406 710880742 /nfs/dbraw/zinc/88/07/42/710880742.db2.gz TXEZWLIWQBZTAY-ZDUSSCGKSA-N 0 1 233.355 2.493 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC2CCC1CC2 ZINC000399967609 710911658 /nfs/dbraw/zinc/91/16/58/710911658.db2.gz DAHPXQDOWAMDDH-HBIQZDMRSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H](CC(C)(C)C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000384980757 711002231 /nfs/dbraw/zinc/00/22/31/711002231.db2.gz ULJDMKXABGEXOV-VHSXEESVSA-N 0 1 213.321 2.360 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000385847939 711017183 /nfs/dbraw/zinc/01/71/83/711017183.db2.gz PFGYWBIZZDUWBX-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000385864501 711019937 /nfs/dbraw/zinc/01/99/37/711019937.db2.gz STXDDXPYYVHRLK-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN CCc1nnc(CNC(C)(C)CC)s1 ZINC000389297681 711076337 /nfs/dbraw/zinc/07/63/37/711076337.db2.gz KYVLHMRCXKVZLI-UHFFFAOYSA-N 0 1 213.350 2.379 20 0 BEADMN Cn1c(Cl)cnc1CNC1(C2CC2)CC1 ZINC000389846972 711091799 /nfs/dbraw/zinc/09/17/99/711091799.db2.gz OYPIBDFLXIPQJT-UHFFFAOYSA-N 0 1 225.723 2.106 20 0 BEADMN CC[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH]cn1 ZINC000389963486 711101175 /nfs/dbraw/zinc/10/11/75/711101175.db2.gz WRGZIARKDLPGEW-ZETCQYMHSA-N 0 1 221.226 2.230 20 0 BEADMN Cc1cc(CNCc2nc(C)c(C)s2)n[nH]1 ZINC000390431751 711116476 /nfs/dbraw/zinc/11/64/76/711116476.db2.gz AIZQTXQZTOLPEY-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc[nH]1 ZINC000390487571 711120138 /nfs/dbraw/zinc/12/01/38/711120138.db2.gz PFJSXXZATSGQBM-ZJUUUORDSA-N 0 1 218.304 2.160 20 0 BEADMN Cc1nnc(CN[C@H](C)Cc2ccco2)s1 ZINC000391857831 711140506 /nfs/dbraw/zinc/14/05/06/711140506.db2.gz VYTQEUUNYHSYFR-MRVPVSSYSA-N 0 1 237.328 2.160 20 0 BEADMN Cc1nnc(CNC[C@H]2CCCSC2)s1 ZINC000391871424 711142319 /nfs/dbraw/zinc/14/23/19/711142319.db2.gz JGGLMTYHXUHAPD-SECBINFHSA-N 0 1 243.401 2.079 20 0 BEADMN Cc1cnn(C)c1CN[C@H](C)c1cncs1 ZINC000394077636 711183889 /nfs/dbraw/zinc/18/38/89/711183889.db2.gz FJGBCOLQWANRQM-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C1CC(C)(C)C1 ZINC000395398629 711210290 /nfs/dbraw/zinc/21/02/90/711210290.db2.gz FMKDWHSTXYZUII-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN CCON1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000398085442 711400819 /nfs/dbraw/zinc/40/08/19/711400819.db2.gz HVGSEIPWBFHAOT-LLVKDONJSA-N 0 1 248.317 2.180 20 0 BEADMN ClC1(Cl)C[C@H]1CCNCc1ccon1 ZINC000399109600 711421133 /nfs/dbraw/zinc/42/11/33/711421133.db2.gz KSBBJADSXPPCLW-SSDOTTSWSA-N 0 1 235.114 2.348 20 0 BEADMN CSC1(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000380874057 710592872 /nfs/dbraw/zinc/59/28/72/710592872.db2.gz WMKVRXIMLNMLTO-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccco2)[nH]n1 ZINC000381199152 710607694 /nfs/dbraw/zinc/60/76/94/710607694.db2.gz BTHPQRFGSKZKHH-VIFPVBQESA-N 0 1 219.288 2.416 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1cccnc1Cl ZINC000381234194 710610772 /nfs/dbraw/zinc/61/07/72/710610772.db2.gz LNCOXQNOTIHHFE-BXKDBHETSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1[nH+]c(N(C)CCC2CC2)ccc1C(=O)[O-] ZINC000383738669 710895591 /nfs/dbraw/zinc/89/55/91/710895591.db2.gz BXEKBGWJFUNILK-UHFFFAOYSA-N 0 1 234.299 2.325 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C)[C@@H]1CC ZINC000383828751 710948835 /nfs/dbraw/zinc/94/88/35/710948835.db2.gz IVUKHRALTRWHHQ-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(Cl)o2)n[nH]1 ZINC000392376839 711145367 /nfs/dbraw/zinc/14/53/67/711145367.db2.gz JAKHUBAGVBSFNQ-ZCFIWIBFSA-N 0 1 240.694 2.210 20 0 BEADMN Cc1ccsc1CN[C@H](C)c1n[nH]c(C)n1 ZINC000392421226 711147029 /nfs/dbraw/zinc/14/70/29/711147029.db2.gz PTKWPQMZQRANPR-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nnc([C@@H](C)NC2CC(C(C)C)C2)[nH]1 ZINC000392388553 711147515 /nfs/dbraw/zinc/14/75/15/711147515.db2.gz RWSVZXUXLLEKPZ-MFAVDMRSSA-N 0 1 222.336 2.198 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000393296656 711156057 /nfs/dbraw/zinc/15/60/57/711156057.db2.gz PPQODSDIGQVHID-FIQHERPVSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1nnc(CNCCCC2CC2)s1 ZINC000394616577 711195048 /nfs/dbraw/zinc/19/50/48/711195048.db2.gz OMWYIIUBPXFNDP-UHFFFAOYSA-N 0 1 211.334 2.126 20 0 BEADMN CCC(CC)c1noc(CNCC2CC2)n1 ZINC000395182148 711204589 /nfs/dbraw/zinc/20/45/89/711204589.db2.gz GDVGLZNMHPACGX-UHFFFAOYSA-N 0 1 223.320 2.473 20 0 BEADMN CC[C@H](NCc1c[nH]nn1)c1ccccc1OC ZINC000398334686 711407677 /nfs/dbraw/zinc/40/76/77/711407677.db2.gz JVYXXFZHBYMILD-LBPRGKRZSA-N 0 1 246.314 2.054 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2cnsn2)[C@H](C)C1 ZINC000399722490 711434056 /nfs/dbraw/zinc/43/40/56/711434056.db2.gz FXKGJABHQLHFGX-FXPVBKGRSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2cnsn2)[C@H]1C ZINC000399772957 711435125 /nfs/dbraw/zinc/43/51/25/711435125.db2.gz GJKWPPJXWWXICA-WCABBAIRSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1[nH+]c(NC2CCC2)ccc1C(=O)[O-] ZINC000133896674 711474857 /nfs/dbraw/zinc/47/48/57/711474857.db2.gz VDXGMDCIKWLVDC-UHFFFAOYSA-N 0 1 206.245 2.053 20 0 BEADMN CCCCN(C)c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133887237 711474992 /nfs/dbraw/zinc/47/49/92/711474992.db2.gz CAHPUXMSROCFMV-UHFFFAOYSA-N 0 1 222.288 2.325 20 0 BEADMN Fc1ccc2c(c1)CC[C@@H]2NCc1c[nH]cn1 ZINC000134287470 711498559 /nfs/dbraw/zinc/49/85/59/711498559.db2.gz LSTJNIJXRZMOGR-ZDUSSCGKSA-N 0 1 231.274 2.326 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1CC ZINC000723069355 711499287 /nfs/dbraw/zinc/49/92/87/711499287.db2.gz CEPKQHBKAGXISD-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](N[C@H]1CCCC2(CC2)C1)c1ncn(C)n1 ZINC000723598530 711522781 /nfs/dbraw/zinc/52/27/81/711522781.db2.gz BAYONNUZADNHDD-QWRGUYRKSA-N 0 1 234.347 2.189 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H]2COCC[C@@H]2C1)C(F)F ZINC000723619987 711526494 /nfs/dbraw/zinc/52/64/94/711526494.db2.gz NPOVUVOHIAONNZ-ZRUFSTJUSA-N 0 1 233.302 2.435 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000723624361 711526759 /nfs/dbraw/zinc/52/67/59/711526759.db2.gz RNHKRPBDEJEJLZ-GFCCVEGCSA-N 0 1 236.315 2.092 20 0 BEADMN Cc1cc(C)nc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000723867572 711540521 /nfs/dbraw/zinc/54/05/21/711540521.db2.gz KZFHYDPRNWGZDM-NSHDSACASA-N 0 1 248.326 2.136 20 0 BEADMN Cc1cc(C)nc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000723867572 711540522 /nfs/dbraw/zinc/54/05/22/711540522.db2.gz KZFHYDPRNWGZDM-NSHDSACASA-N 0 1 248.326 2.136 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000723871001 711540895 /nfs/dbraw/zinc/54/08/95/711540895.db2.gz JLFDWMNSJGHVHA-AWEZNQCLSA-N 0 1 248.326 2.138 20 0 BEADMN CC[C@H](C)[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000383306196 711560458 /nfs/dbraw/zinc/56/04/58/711560458.db2.gz MRXFOEUXNOAINS-FPYNETTCSA-N 0 1 239.359 2.352 20 0 BEADMN Cc1nnc(CNCCC2CC=CC2)s1 ZINC000724220292 711571119 /nfs/dbraw/zinc/57/11/19/711571119.db2.gz VYEGQOWPMRSARJ-UHFFFAOYSA-N 0 1 223.345 2.292 20 0 BEADMN CC(C)CSCCCN1CC[C@@H](O)[C@@H](F)C1 ZINC000934565590 711594223 /nfs/dbraw/zinc/59/42/23/711594223.db2.gz IAMTWMLWGUKZGK-NWDGAFQWSA-N 0 1 249.395 2.170 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721537769 711619864 /nfs/dbraw/zinc/61/98/64/711619864.db2.gz CLJJYTUYUOZXCX-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721537764 711620280 /nfs/dbraw/zinc/62/02/80/711620280.db2.gz CLJJYTUYUOZXCX-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721541385 711620326 /nfs/dbraw/zinc/62/03/26/711620326.db2.gz MZDSKVHYUJAQQK-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN O=C([O-])c1cncc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000721539787 711620534 /nfs/dbraw/zinc/62/05/34/711620534.db2.gz IYSRHVOBHQGQHC-TXEJJXNPSA-N 0 1 246.310 2.012 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721549123 711622294 /nfs/dbraw/zinc/62/22/94/711622294.db2.gz ZCPSEOHYMDPFIP-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc2c1OCO2 ZINC000926728378 711672542 /nfs/dbraw/zinc/67/25/42/711672542.db2.gz UJKULHKBPMSKJK-BHYNMZESSA-N 0 1 249.310 2.243 20 0 BEADMN COCC[C@H](C)N1CCC=C(Br)C1 ZINC000393705239 711676294 /nfs/dbraw/zinc/67/62/94/711676294.db2.gz CISOUWSAYKJZGT-VIFPVBQESA-N 0 1 248.164 2.396 20 0 BEADMN CC(=O)OC[C@H](C)NCc1cc2ccccc2o1 ZINC000892588356 711677430 /nfs/dbraw/zinc/67/74/30/711677430.db2.gz FJZBCXAWGVATHL-JTQLQIEISA-N 0 1 247.294 2.474 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1cc2ccccc2o1 ZINC000892588358 711677464 /nfs/dbraw/zinc/67/74/64/711677464.db2.gz FJZBCXAWGVATHL-SNVBAGLBSA-N 0 1 247.294 2.474 20 0 BEADMN c1nc(CNC[C@@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000722312923 711734227 /nfs/dbraw/zinc/73/42/27/711734227.db2.gz MQGYHFRQEKVFEZ-RYUDHWBXSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1cnccn1 ZINC000722315184 711734517 /nfs/dbraw/zinc/73/45/17/711734517.db2.gz POXJBBZTTOHAEI-VHRBIJSZSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@H](C3CC3)O2)[nH]c1C ZINC000722317579 711734769 /nfs/dbraw/zinc/73/47/69/711734769.db2.gz UDHLGMGHIBVKAG-CHWSQXEVSA-N 0 1 249.358 2.074 20 0 BEADMN c1cn(C2CC2)c(CNCCOCC2CCC2)n1 ZINC000893616937 711748031 /nfs/dbraw/zinc/74/80/31/711748031.db2.gz MEXXTKOVWYHQKZ-UHFFFAOYSA-N 0 1 249.358 2.124 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[NH2+]Cc1ccco1 ZINC000232440025 711760590 /nfs/dbraw/zinc/76/05/90/711760590.db2.gz VSINLHMWGYENKB-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN c1cn(C2CC2)c(NCc2cccnc2)n1 ZINC000232554512 711760788 /nfs/dbraw/zinc/76/07/88/711760788.db2.gz NYLPYWZGZDUDJO-UHFFFAOYSA-N 0 1 214.272 2.225 20 0 BEADMN COC[C@@H](CN[C@@H](C)c1csnn1)C(C)C ZINC000721779907 711769628 /nfs/dbraw/zinc/76/96/28/711769628.db2.gz ILNDEIOISDLBLN-VHSXEESVSA-N 0 1 243.376 2.107 20 0 BEADMN c1nc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c[nH]1 ZINC000894795669 711772301 /nfs/dbraw/zinc/77/23/01/711772301.db2.gz SADFTOVEFBNNJR-GFCCVEGCSA-N 0 1 217.316 2.174 20 0 BEADMN c1nc(CN2CC3(CCC3)[C@H]2C2CC2)c[nH]1 ZINC000894795669 711772302 /nfs/dbraw/zinc/77/23/02/711772302.db2.gz SADFTOVEFBNNJR-GFCCVEGCSA-N 0 1 217.316 2.174 20 0 BEADMN C[C@@H]1CCC[C@@H]1CC(=O)OCCN1CCC1 ZINC000861389339 711790827 /nfs/dbraw/zinc/79/08/27/711790827.db2.gz IGGTYMWGGXIQJD-VXGBXAGGSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](COC)C(C)C ZINC000721864997 711792182 /nfs/dbraw/zinc/79/21/82/711792182.db2.gz AUCPBPYKTXIIJZ-NEPJUHHUSA-N 0 1 245.363 2.090 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CC(N2CCCC2)C1 ZINC000898604611 711802096 /nfs/dbraw/zinc/80/20/96/711802096.db2.gz LTAQNNHZAOWVPY-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@H](C)C(=O)N1CC(N2CCCC2)C1 ZINC000898604612 711802110 /nfs/dbraw/zinc/80/21/10/711802110.db2.gz LTAQNNHZAOWVPY-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H]1CCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000160252199 711806084 /nfs/dbraw/zinc/80/60/84/711806084.db2.gz WYADTMVWRKFUIF-JTQLQIEISA-N 0 1 234.299 2.325 20 0 BEADMN CCCCCCNC(=O)CN(CC)C1CC1 ZINC000046058731 711828561 /nfs/dbraw/zinc/82/85/61/711828561.db2.gz OLVKNRRXEUXXQX-UHFFFAOYSA-N 0 1 226.364 2.167 20 0 BEADMN O=C(Nc1c[nH]nn1)c1cccc2ccccc21 ZINC000170204271 711836273 /nfs/dbraw/zinc/83/62/73/711836273.db2.gz WYADQTBHAMUGRK-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN C[C@]1(CNCc2cocn2)C[C@H]2C[C@H]2C1 ZINC000623741833 711908396 /nfs/dbraw/zinc/90/83/96/711908396.db2.gz YDTXJCSVQDNASZ-IAZYJMLFSA-N 0 1 206.289 2.200 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C[C@@H]1C ZINC000132173928 711955803 /nfs/dbraw/zinc/95/58/03/711955803.db2.gz KCNNLPJGYMFDGF-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000140640501 711971856 /nfs/dbraw/zinc/97/18/56/711971856.db2.gz INOSLZVSOPIORH-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN COCC1(CN2CCC[C@H]2c2ncc[nH]2)CCC1 ZINC000361352715 711979521 /nfs/dbraw/zinc/97/95/21/711979521.db2.gz FHIRQWGZUHBQND-LBPRGKRZSA-N 0 1 249.358 2.363 20 0 BEADMN C[C@H]1CCCN(Cc2cscn2)[C@H]1CCO ZINC000700365042 711990863 /nfs/dbraw/zinc/99/08/63/711990863.db2.gz QWIWHZFCYYNDJP-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN CSCC[C@@H](C)NCc1ncc(C)o1 ZINC000700404152 711992039 /nfs/dbraw/zinc/99/20/39/711992039.db2.gz GJSFBVLGVJBFNM-MRVPVSSYSA-N 0 1 214.334 2.214 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@H]1C=CCCC1)C2 ZINC000701442833 712023529 /nfs/dbraw/zinc/02/35/29/712023529.db2.gz DHQGPUJNALGCSJ-OBJOEFQTSA-N 0 1 235.327 2.282 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701502381 712025233 /nfs/dbraw/zinc/02/52/33/712025233.db2.gz WQJSAMSWSPYYCC-RISCZKNCSA-N 0 1 249.310 2.275 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000701494032 712025276 /nfs/dbraw/zinc/02/52/76/712025276.db2.gz QZGPEMGFCZNLAQ-AAEUAGOBSA-N 0 1 243.322 2.313 20 0 BEADMN Cn1c(Cl)cnc1CN[C@]1(C)CC1(C)C ZINC000702022850 712036466 /nfs/dbraw/zinc/03/64/66/712036466.db2.gz MEGTUJRKRDUTRI-LLVKDONJSA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)n1ncnc1CNC[C@@]1(C)CC1(C)C ZINC000702016010 712036671 /nfs/dbraw/zinc/03/66/71/712036671.db2.gz KXWNNYKWOSUHMK-CYBMUJFWSA-N 0 1 236.363 2.385 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000702736482 712060743 /nfs/dbraw/zinc/06/07/43/712060743.db2.gz QEKRJKNMDZFBPJ-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CC[C@H](N[C@H]1CNOC1)c1cccc(Cl)c1 ZINC000703331654 712070731 /nfs/dbraw/zinc/07/07/31/712070731.db2.gz AIQJVWWGBCQWET-RYUDHWBXSA-N 0 1 240.734 2.284 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000703869830 712091725 /nfs/dbraw/zinc/09/17/25/712091725.db2.gz VQCKMCXBCZNQMX-SNVBAGLBSA-N 0 1 242.706 2.030 20 0 BEADMN Clc1ccc(CNCCOCC2CC2)nc1 ZINC000703919269 712094118 /nfs/dbraw/zinc/09/41/18/712094118.db2.gz JZXQIBSDALRULL-UHFFFAOYSA-N 0 1 240.734 2.251 20 0 BEADMN C[C@H](c1ccccc1)N(C)Cc1ccc(N)nn1 ZINC000703965117 712097100 /nfs/dbraw/zinc/09/71/00/712097100.db2.gz POEUFQIAZVWOJV-LLVKDONJSA-N 0 1 242.326 2.252 20 0 BEADMN CCC[C@H]1C[C@H]1NCc1nnc(C)s1 ZINC000704705324 712113547 /nfs/dbraw/zinc/11/35/47/712113547.db2.gz GHYOMQPILDEMEY-DTWKUNHWSA-N 0 1 211.334 2.125 20 0 BEADMN CC1(C)C[C@@]1(C)CNc1ncnc2[nH]cnc21 ZINC000705320367 712128444 /nfs/dbraw/zinc/12/84/44/712128444.db2.gz SCEBVBBCYUOYMW-LBPRGKRZSA-N 0 1 231.303 2.153 20 0 BEADMN Cc1ncccc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000705529876 712132832 /nfs/dbraw/zinc/13/28/32/712132832.db2.gz HYWAHXNOYCWDLS-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])no1)[C@H](C)C(C)C ZINC000706666449 712151161 /nfs/dbraw/zinc/15/11/61/712151161.db2.gz DMVJQXXFRGAUFM-SECBINFHSA-N 0 1 240.303 2.239 20 0 BEADMN CCCCCC[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000707956251 712174009 /nfs/dbraw/zinc/17/40/09/712174009.db2.gz DDEDVYGFZCAXCH-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H](O)[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000708398744 712192617 /nfs/dbraw/zinc/19/26/17/712192617.db2.gz ZWKHZWBZGKOKCH-RKDXNWHRSA-N 0 1 238.158 2.398 20 0 BEADMN Cc1nnc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)o1 ZINC000708841306 712200835 /nfs/dbraw/zinc/20/08/35/712200835.db2.gz PQVHINIDCOYWDR-SUZMYJTESA-N 0 1 235.331 2.436 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709077075 712207639 /nfs/dbraw/zinc/20/76/39/712207639.db2.gz QMDRHKKGNKAJIX-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709072836 712207826 /nfs/dbraw/zinc/20/78/26/712207826.db2.gz CAZQNBBHFSAOKD-VHSXEESVSA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)CC(C)(C)C ZINC000709098219 712208644 /nfs/dbraw/zinc/20/86/44/712208644.db2.gz PILFFXPQBRQNRM-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN COCC[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709111998 712209377 /nfs/dbraw/zinc/20/93/77/712209377.db2.gz RTUSAHANJBEKMS-LLVKDONJSA-N 0 1 245.363 2.092 20 0 BEADMN Cc1noc(CN[C@H](C)[C@]23C[C@H]2CCCC3)n1 ZINC000709155472 712210320 /nfs/dbraw/zinc/21/03/20/712210320.db2.gz NBGSXSZSKAJYKN-XWIASGKRSA-N 0 1 235.331 2.436 20 0 BEADMN CC[C@@H](C)CN1CCc2sc(CN)nc2C1 ZINC000709754970 712217688 /nfs/dbraw/zinc/21/76/88/712217688.db2.gz MAXMEFIJSOIVCX-SECBINFHSA-N 0 1 239.388 2.006 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1cn(C)cn1)OC ZINC000710005772 712239380 /nfs/dbraw/zinc/23/93/80/712239380.db2.gz JLRMOXIOCSIKSD-GMXVVIOVSA-N 0 1 239.363 2.132 20 0 BEADMN C[C@H]1CC[C@H](NCc2noc3c2COCC3)C1 ZINC000923016885 712291837 /nfs/dbraw/zinc/29/18/37/712291837.db2.gz YNNLPCBQTBFTQI-UWVGGRQHSA-N 0 1 236.315 2.026 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCC(C)(C)CO2)n1 ZINC000711279873 712292536 /nfs/dbraw/zinc/29/25/36/712292536.db2.gz ZCSDHJPGOBSMGC-LLVKDONJSA-N 0 1 237.347 2.013 20 0 BEADMN CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](CF)C1 ZINC000711453854 712304271 /nfs/dbraw/zinc/30/42/71/712304271.db2.gz KTCJURMHGWXKNY-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CCC[C@H](CF)C1 ZINC000711453854 712304273 /nfs/dbraw/zinc/30/42/73/712304273.db2.gz KTCJURMHGWXKNY-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1cnccn1 ZINC000711484528 712306300 /nfs/dbraw/zinc/30/63/00/712306300.db2.gz KUQNOSXKSRFLAL-RYUDHWBXSA-N 0 1 247.342 2.229 20 0 BEADMN c1coc(CCNCc2nccn2C2CC2)c1 ZINC000711736926 712321114 /nfs/dbraw/zinc/32/11/14/712321114.db2.gz GBDTWRBHDWDNQY-UHFFFAOYSA-N 0 1 231.299 2.143 20 0 BEADMN CO[C@@](C)(CNCc1nccn1C1CC1)C1CC1 ZINC000711753180 712324928 /nfs/dbraw/zinc/32/49/28/712324928.db2.gz VILZIBNUDNJJBN-AWEZNQCLSA-N 0 1 249.358 2.123 20 0 BEADMN OC1(CNCc2nccn2C2CC2)CCCCC1 ZINC000711752684 712325229 /nfs/dbraw/zinc/32/52/29/712325229.db2.gz SJTLVNWKZOQQRU-UHFFFAOYSA-N 0 1 249.358 2.003 20 0 BEADMN CC(C)SCCNCc1nccn1C1CC1 ZINC000711745098 712325594 /nfs/dbraw/zinc/32/55/94/712325594.db2.gz FTDZPZYDHWYPPC-UHFFFAOYSA-N 0 1 239.388 2.449 20 0 BEADMN CC(C)(C)OCCNCc1nccn1C1CC1 ZINC000711804054 712332034 /nfs/dbraw/zinc/33/20/34/712332034.db2.gz XVPDGZAOOSMTFC-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN CC(C)[C@H](N)c1noc(C[C@@H]2C[C@H]2C2CC2)n1 ZINC000711971726 712340069 /nfs/dbraw/zinc/34/00/69/712340069.db2.gz YAHVITGDNADLEV-NHCYSSNCSA-N 0 1 235.331 2.314 20 0 BEADMN COCC1(NCc2nc(C)c(C)s2)CCC1 ZINC000378777665 712360404 /nfs/dbraw/zinc/36/04/04/712360404.db2.gz NJDJJLZNCIVITL-UHFFFAOYSA-N 0 1 240.372 2.419 20 0 BEADMN CCO[C@@H]1C[C@@H](N[C@H]2CCn3ccnc32)C1(C)C ZINC000379023945 712368598 /nfs/dbraw/zinc/36/85/98/712368598.db2.gz UIBBVZLBPYZNKF-QJPTWQEYSA-N 0 1 249.358 2.121 20 0 BEADMN CCO[C@@H]1C[C@@H](N[C@@H]2CCn3ccnc32)C1(C)C ZINC000379023944 712368666 /nfs/dbraw/zinc/36/86/66/712368666.db2.gz UIBBVZLBPYZNKF-IJLUTSLNSA-N 0 1 249.358 2.121 20 0 BEADMN CCO[C@@H]1CCCN(Cc2[nH]c(C)nc2C)C1 ZINC000724782797 712393019 /nfs/dbraw/zinc/39/30/19/712393019.db2.gz MJSSSNNRHLKMSD-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CCOC1CCN(Cc2[nH]c(C)nc2C)CC1 ZINC000724782770 712393064 /nfs/dbraw/zinc/39/30/64/712393064.db2.gz JNKJJBKNJQRAOU-UHFFFAOYSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@]1(C)CCN(Cn2cc[nH]c2=S)C1 ZINC000758399777 712408562 /nfs/dbraw/zinc/40/85/62/712408562.db2.gz ZELMGDWVUFBXSP-LLVKDONJSA-N 0 1 225.361 2.251 20 0 BEADMN CC/C=C\CNCc1cnn(C)c1Cl ZINC000712429160 712429721 /nfs/dbraw/zinc/42/97/21/712429721.db2.gz FOAJPRSQIVSMCZ-PLNGDYQASA-N 0 1 213.712 2.129 20 0 BEADMN CN1CC[C@@H]1CNc1nc2ccccc2s1 ZINC000712596543 712435777 /nfs/dbraw/zinc/43/57/77/712435777.db2.gz UWELIKGWJGLRJD-SECBINFHSA-N 0 1 233.340 2.412 20 0 BEADMN CCN1CC[C@H]1CN[C@@H](C)c1csc(C)n1 ZINC000712574524 712448107 /nfs/dbraw/zinc/44/81/07/712448107.db2.gz WPIYGJQBBAMHHO-ONGXEEELSA-N 0 1 239.388 2.196 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H]2CCN2C)c(C)s1 ZINC000712574982 712448340 /nfs/dbraw/zinc/44/83/40/712448340.db2.gz YQBYIPQONYQKJP-KWQFWETISA-N 0 1 239.388 2.115 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1scnc1Cl ZINC000713446217 712460300 /nfs/dbraw/zinc/46/03/00/712460300.db2.gz FOOPALNIERJJSI-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C/CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000713493206 712462423 /nfs/dbraw/zinc/46/24/23/712462423.db2.gz PHLJJJXYIHKUFB-ONEGZZNKSA-N 0 1 245.326 2.151 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCC(C)(C)CO2)o1 ZINC000713621996 712467701 /nfs/dbraw/zinc/46/77/01/712467701.db2.gz NAFPWFSQBVGASG-NSHDSACASA-N 0 1 238.331 2.278 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000713702507 712469426 /nfs/dbraw/zinc/46/94/26/712469426.db2.gz NRFCXVQDWJFELP-DLRQAJBASA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000713704689 712469552 /nfs/dbraw/zinc/46/95/52/712469552.db2.gz VZUVVTQCWQEAQE-RXNFCKPNSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000713710750 712469870 /nfs/dbraw/zinc/46/98/70/712469870.db2.gz FFRZNEKUXLQRIK-XYOLNXMOSA-N 0 1 235.327 2.304 20 0 BEADMN C=C/C=C/CCN(CC(=O)OC)C(C)C ZINC000713747020 712471552 /nfs/dbraw/zinc/47/15/52/712471552.db2.gz OIQAWVGUOFCUFJ-VOTSOKGWSA-N 0 1 211.305 2.002 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H](C)C(=O)[O-] ZINC000714371662 712484497 /nfs/dbraw/zinc/48/44/97/712484497.db2.gz JLFVTQXAHBIBMZ-QWRGUYRKSA-N 0 1 243.347 2.129 20 0 BEADMN CCc1nc(CN[C@H]2C[C@@H](COC)C2)cs1 ZINC000714444909 712489828 /nfs/dbraw/zinc/48/98/28/712489828.db2.gz WJMXOHIENCTKNL-AOOOYVTPSA-N 0 1 240.372 2.220 20 0 BEADMN COC(CN(C)Cc1ccc(F)cc1C)OC ZINC000714690398 712495649 /nfs/dbraw/zinc/49/56/49/712495649.db2.gz VUQSWEJXOSCRIA-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN C[N@@H+](CCCF)Cc1csc(C(=O)[O-])c1 ZINC000714921996 712500252 /nfs/dbraw/zinc/50/02/52/712500252.db2.gz ABVHIKSVWMUBRV-UHFFFAOYSA-N 0 1 231.292 2.238 20 0 BEADMN Cc1nc(C)c(CNCc2ccc[nH]c2=O)s1 ZINC000714983914 712502873 /nfs/dbraw/zinc/50/28/73/712502873.db2.gz KAJLHSXXBDBONZ-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN C[N@@H+](CCCF)Cc1ccsc1C(=O)[O-] ZINC000714954291 712503581 /nfs/dbraw/zinc/50/35/81/712503581.db2.gz MPHNOFZEZDZIED-UHFFFAOYSA-N 0 1 231.292 2.238 20 0 BEADMN Cc1nn(C)c(CN[C@@H]2CC23CC3)c1Cl ZINC000715237826 712514160 /nfs/dbraw/zinc/51/41/60/712514160.db2.gz IZOWBGFKSDLXLV-SECBINFHSA-N 0 1 225.723 2.024 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715439049 712518922 /nfs/dbraw/zinc/51/89/22/712518922.db2.gz HQAFDUGKZFWSQW-DYEKYZERSA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715445893 712519294 /nfs/dbraw/zinc/51/92/94/712519294.db2.gz HJRKRHCICHABES-AGIUHOORSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1cn(C)cn1 ZINC000715533823 712526163 /nfs/dbraw/zinc/52/61/63/712526163.db2.gz NNPBLIJHNHYTFI-JKOKRWQUSA-N 0 1 249.358 2.028 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)CC1 ZINC000715799412 712529427 /nfs/dbraw/zinc/52/94/27/712529427.db2.gz WLDPMDVRZDDODU-FZMZJTMJSA-N 0 1 237.343 2.363 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](Cc3ccoc3)C[C@H]1CCCC2 ZINC000715764962 712532361 /nfs/dbraw/zinc/53/23/61/712532361.db2.gz HEOYTXYGRJCAIZ-TZMCWYRMSA-N 0 1 249.310 2.356 20 0 BEADMN C[C@@H](NCc1ccc(CO)cc1)c1ccns1 ZINC000715917697 712542277 /nfs/dbraw/zinc/54/22/77/712542277.db2.gz CDBKBKVPLMYXJG-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN CC(C)(O)C1CCN(C/C=C/Cl)CC1 ZINC000716393508 712558079 /nfs/dbraw/zinc/55/80/79/712558079.db2.gz JKIGOXJUJNIZRO-ZZXKWVIFSA-N 0 1 217.740 2.222 20 0 BEADMN CC(C)(O)C1CCN(Cc2cncs2)CC1 ZINC000716412905 712559148 /nfs/dbraw/zinc/55/91/48/712559148.db2.gz LFTFTIQBHOOHBN-UHFFFAOYSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1[nH]nc(CN[C@H](C)C(F)(F)F)c1C ZINC000716449404 712561634 /nfs/dbraw/zinc/56/16/34/712561634.db2.gz BAPKSQLUMICWCO-SSDOTTSWSA-N 0 1 221.226 2.067 20 0 BEADMN COc1ccc(NCc2n[nH]c(C)c2C)nc1 ZINC000716450211 712562131 /nfs/dbraw/zinc/56/21/31/712562131.db2.gz GEJSBMVUIRPFRB-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN Cc1cc2cn[nH]c2c(C(=O)NOC2CCC2)c1 ZINC000812787872 712586700 /nfs/dbraw/zinc/58/67/00/712586700.db2.gz JYIXUSGPLZJELJ-UHFFFAOYSA-N 0 1 245.282 2.085 20 0 BEADMN c1nc(CNCC[C@H]2CCC3(CCC3)O2)co1 ZINC000717099361 712631045 /nfs/dbraw/zinc/63/10/45/712631045.db2.gz TVJJAAMAFAVAPW-GFCCVEGCSA-N 0 1 236.315 2.256 20 0 BEADMN C[C@@H]1C[C@H](NC[C@H]2CCC=CO2)c2nccn21 ZINC000380008670 712669750 /nfs/dbraw/zinc/66/97/50/712669750.db2.gz FVHYYTXHDYSRMR-UTUOFQBUSA-N 0 1 233.315 2.171 20 0 BEADMN Cc1csc(C[C@H]2CCN(CCF)C2)n1 ZINC000933130066 712718241 /nfs/dbraw/zinc/71/82/41/712718241.db2.gz OWBFRISVZIOYIO-SNVBAGLBSA-N 0 1 228.336 2.285 20 0 BEADMN Cc1coc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000718059297 712739904 /nfs/dbraw/zinc/73/99/04/712739904.db2.gz SONJMROZARZHON-DGCLKSJQSA-N 0 1 221.300 2.245 20 0 BEADMN Cc1coc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000718059303 712740301 /nfs/dbraw/zinc/74/03/01/712740301.db2.gz SONJMROZARZHON-YPMHNXCESA-N 0 1 221.300 2.245 20 0 BEADMN Cc1coc(CNCc2cccc(CO)c2)c1 ZINC000718122891 712745984 /nfs/dbraw/zinc/74/59/84/712745984.db2.gz WIUDVDPDYFDHMT-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN Cc1coc(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000718450259 712762607 /nfs/dbraw/zinc/76/26/07/712762607.db2.gz PXNQUVAZVNATBW-SECBINFHSA-N 0 1 221.260 2.294 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCC(C)(F)F)C1 ZINC000718635594 712772999 /nfs/dbraw/zinc/77/29/99/712772999.db2.gz IFZMMHCFTSZTGP-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H](C[N@@H+](C)CCCC(C)(F)F)C(=O)[O-] ZINC000718631040 712773971 /nfs/dbraw/zinc/77/39/71/712773971.db2.gz UJSWKRSKGPEUJZ-MRVPVSSYSA-N 0 1 223.263 2.074 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC(C)(F)F)C[C@@H]1C(=O)[O-] ZINC000718647978 712776659 /nfs/dbraw/zinc/77/66/59/712776659.db2.gz RVTGRGBPTHPDLY-UWVGGRQHSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H]1[C@@H](Nc2ncccc2Cl)CCN1C ZINC000719570534 712810836 /nfs/dbraw/zinc/81/08/36/712810836.db2.gz OQOKXUNLWUAKQU-WPRPVWTQSA-N 0 1 225.723 2.240 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nccn1C(F)F ZINC000720188535 712829141 /nfs/dbraw/zinc/82/91/41/712829141.db2.gz RNSDUSPDMUOZRB-MRVPVSSYSA-N 0 1 247.289 2.181 20 0 BEADMN CS[C@@H]1CC[C@H](NCc2ccon2)C1 ZINC000720383556 712837651 /nfs/dbraw/zinc/83/76/51/712837651.db2.gz OBKGBRVKXMQVTG-WCBMZHEXSA-N 0 1 212.318 2.048 20 0 BEADMN CS[C@H]1CC[C@H](NCc2ccon2)C1 ZINC000720383557 712837675 /nfs/dbraw/zinc/83/76/75/712837675.db2.gz OBKGBRVKXMQVTG-WPRPVWTQSA-N 0 1 212.318 2.048 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)no1 ZINC000720411384 712840794 /nfs/dbraw/zinc/84/07/94/712840794.db2.gz HDATUFSUVDVJHW-UKWYHXRUSA-N 0 1 220.316 2.365 20 0 BEADMN CS[C@@H]1CC[C@H](NCc2cc(C)on2)C1 ZINC000720411368 712840911 /nfs/dbraw/zinc/84/09/11/712840911.db2.gz GNMVLCRZYSGQMZ-GXSJLCMTSA-N 0 1 226.345 2.357 20 0 BEADMN Cc1cc(CNCC[C@H]2CCCS2)no1 ZINC000720414669 712840950 /nfs/dbraw/zinc/84/09/50/712840950.db2.gz YIUDQVVXADLYMB-LLVKDONJSA-N 0 1 226.345 2.358 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)on1 ZINC000720831537 712869456 /nfs/dbraw/zinc/86/94/56/712869456.db2.gz GJOHPBOWAWWECT-NTZNESFSSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(NCC(C)(C)CC(=O)[O-])nc(C)[nH+]1 ZINC000720864855 712871145 /nfs/dbraw/zinc/87/11/45/712871145.db2.gz URQSSJQZJVCQTI-UHFFFAOYSA-N 0 1 237.303 2.006 20 0 BEADMN CC1(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])CCCC1 ZINC000721161605 712893449 /nfs/dbraw/zinc/89/34/49/712893449.db2.gz OITHWYPSRYOQRB-TUAOUCFPSA-N 0 1 237.343 2.219 20 0 BEADMN CCO[C@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000721167675 712893953 /nfs/dbraw/zinc/89/39/53/712893953.db2.gz MJUMTOUJDZPHCS-PWSUYJOCSA-N 0 1 224.304 2.112 20 0 BEADMN CC(=O)NC[C@H]1CCN1Cc1ccc(C)cc1C ZINC001037979226 712894514 /nfs/dbraw/zinc/89/45/14/712894514.db2.gz AQPJOBZMUKXQEZ-OAHLLOKOSA-N 0 1 246.354 2.014 20 0 BEADMN CC(=O)NC[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001037986367 712896631 /nfs/dbraw/zinc/89/66/31/712896631.db2.gz LZYXIVJJYALHHY-AWEZNQCLSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)c1cc(N2C[C@@H](C)N(C)C[C@H]2C)ncn1 ZINC000351505246 719186102 /nfs/dbraw/zinc/18/61/02/719186102.db2.gz MIXVEPZBQBGZJD-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1ccnc(N2C[C@H](C)N(C)C[C@H]2C)c1F ZINC001164642483 719202314 /nfs/dbraw/zinc/20/23/14/719202314.db2.gz VYAJMKWOMAJGFP-WDEREUQCSA-N 0 1 237.322 2.058 20 0 BEADMN C[C@H](CSCC[C@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000083051102 957818834 /nfs/dbraw/zinc/81/88/34/957818834.db2.gz AOFZNIPTNQPBQT-GHMZBOCLSA-N 0 1 245.388 2.315 20 0 BEADMN CC[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000083415349 957824826 /nfs/dbraw/zinc/82/48/26/957824826.db2.gz HYUSKAUFUKEKET-AEJSXWLSSA-N 0 1 201.310 2.074 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])CC(C)(C)C ZINC000083638546 957828604 /nfs/dbraw/zinc/82/86/04/957828604.db2.gz VTGPOVSYHCDOKA-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN CC[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854792 957835739 /nfs/dbraw/zinc/83/57/39/957835739.db2.gz FYBOBIRTUNDDSW-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1cc(CNc2ccc(F)cc2)n[nH]1 ZINC000309056455 959573693 /nfs/dbraw/zinc/57/36/93/959573693.db2.gz UQXRWCPIJNGLTJ-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN CC[N@@H+](Cc1cncc(C)c1)C(C)(C)C(=O)[O-] ZINC000228613273 960031511 /nfs/dbraw/zinc/03/15/11/960031511.db2.gz LRNSFUHYODMYBN-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1cnsn1 ZINC000695105090 960101000 /nfs/dbraw/zinc/10/10/00/960101000.db2.gz FUARWMXHBDZYCY-QMMMGPOBSA-N 0 1 213.350 2.452 20 0 BEADMN COC(=O)CN(C)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000709022350 960218255 /nfs/dbraw/zinc/21/82/55/960218255.db2.gz VWBCAZQOYFNVLX-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN CC(=O)C1CCN(Cc2[nH]cc(C)c2C)CC1 ZINC001140862324 960641411 /nfs/dbraw/zinc/64/14/11/960641411.db2.gz ALIWVGSBLKEDTG-UHFFFAOYSA-N 0 1 234.343 2.433 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011611 960817564 /nfs/dbraw/zinc/81/75/64/960817564.db2.gz KCBRNSHPASEZDE-SSDOTTSWSA-N 0 1 233.237 2.270 20 0 BEADMN C[C@@H]1CCN(Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011611 960817565 /nfs/dbraw/zinc/81/75/65/960817565.db2.gz KCBRNSHPASEZDE-SSDOTTSWSA-N 0 1 233.237 2.270 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011612 960818299 /nfs/dbraw/zinc/81/82/99/960818299.db2.gz KCBRNSHPASEZDE-ZETCQYMHSA-N 0 1 233.237 2.270 20 0 BEADMN C[C@H]1CCN(Cc2c[nH]nc2C(F)(F)F)C1 ZINC001141011612 960818300 /nfs/dbraw/zinc/81/83/00/960818300.db2.gz KCBRNSHPASEZDE-ZETCQYMHSA-N 0 1 233.237 2.270 20 0 BEADMN CCCCc1ncc(CN2CC=CC2)[nH]1 ZINC001141067926 960863620 /nfs/dbraw/zinc/86/36/20/960863620.db2.gz RWXURIIHGBCDNB-UHFFFAOYSA-N 0 1 205.305 2.124 20 0 BEADMN CNc1nc(Cl)ncc1CN(C)C(C)(C)C ZINC001142488800 961458060 /nfs/dbraw/zinc/45/80/60/961458060.db2.gz WXCGIEFPKVTITG-UHFFFAOYSA-N 0 1 242.754 2.402 20 0 BEADMN Cc1ncn(C)c1Nc1cc(N)ccc1F ZINC001211828407 962044389 /nfs/dbraw/zinc/04/43/89/962044389.db2.gz QDPUXKXUMDLBNZ-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN CCCCN1CC(N(C)C(=O)/C=C(/C)CC)C1 ZINC001269787728 962789931 /nfs/dbraw/zinc/78/99/31/962789931.db2.gz ROIZVKWLCYLXGF-XFXZXTDPSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](C)CC(=O)N(C)C1CN(CC(C)C)C1 ZINC001269781425 962790168 /nfs/dbraw/zinc/79/01/68/962790168.db2.gz UWJXYKRHKADHIN-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nc2ccc(NCC(C)C)nc2[nH]1 ZINC001161649115 963032155 /nfs/dbraw/zinc/03/21/55/963032155.db2.gz YWMPPFGTKHGNNX-UHFFFAOYSA-N 0 1 204.277 2.334 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)C2CCCC2)n1 ZINC001226157675 963079152 /nfs/dbraw/zinc/07/91/52/963079152.db2.gz CWFCYQOOHGEZDD-SECBINFHSA-N 0 1 222.288 2.448 20 0 BEADMN CS[C@@H]1CC[C@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000308840508 963309824 /nfs/dbraw/zinc/30/98/24/963309824.db2.gz JXCXPRCMWLXWQK-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN C[N@@H+](CCSC(C)(C)C)C(C)(C)C(=O)[O-] ZINC000308833871 963308712 /nfs/dbraw/zinc/30/87/12/963308712.db2.gz VJHKUJAVMFQPFQ-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN C/C(=C/C[N@H+]1CCSC(C)(C)CC1)C(=O)[O-] ZINC000309090775 963325052 /nfs/dbraw/zinc/32/50/52/963325052.db2.gz HUQQWEVUOOAKHD-WMZJFQQLSA-N 0 1 243.372 2.235 20 0 BEADMN CCCNc1cnccc1/C=C/N(C)C ZINC001168140343 963844052 /nfs/dbraw/zinc/84/40/52/963844052.db2.gz GJXZPFAETQXEPU-RMKNXTFCSA-N 0 1 205.305 2.436 20 0 BEADMN CN1CC(CNc2nc(Cl)ccc2Cl)C1 ZINC001159218862 964020091 /nfs/dbraw/zinc/02/00/91/964020091.db2.gz RJKFQZFRPWICKW-UHFFFAOYSA-N 0 1 246.141 2.362 20 0 BEADMN Cc1ccnc(NC2CN(C(C)C)C2)c1C ZINC001168313155 964415864 /nfs/dbraw/zinc/41/58/64/964415864.db2.gz KJAZSZMKDSSXQW-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN Cc1cc(CN2CC[C@H](CO)C2)cc(F)c1F ZINC001143607049 964734100 /nfs/dbraw/zinc/73/41/00/964734100.db2.gz MCLHJPDRLNNXHH-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN Cc1nccc(NCCC(F)(F)F)c1F ZINC001161828472 964773024 /nfs/dbraw/zinc/77/30/24/964773024.db2.gz IWERLQSXMZXHPE-UHFFFAOYSA-N 0 1 222.185 2.315 20 0 BEADMN C[C@@](O)(CN1CC(c2ccccc2)C1)C(F)F ZINC000698566034 965331619 /nfs/dbraw/zinc/33/16/19/965331619.db2.gz YQSWSVKKZYHMOY-CYBMUJFWSA-N 0 1 241.281 2.102 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1(C)CC1 ZINC001120806537 965421480 /nfs/dbraw/zinc/42/14/80/965421480.db2.gz YAAWORVSVTXJIN-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN COc1ccnc(N2C[C@@H](C)C[C@H]2CF)c1 ZINC001164259221 965813366 /nfs/dbraw/zinc/81/33/66/965813366.db2.gz XJYZSCZFDZWLIJ-UWVGGRQHSA-N 0 1 224.279 2.275 20 0 BEADMN CCN(CCn1cccn1)c1cc(C)cc(C)n1 ZINC001167059518 1165751825 /nfs/dbraw/zinc/75/18/25/1165751825.db2.gz URNRQGGJCMCPEU-UHFFFAOYSA-N 0 1 244.342 2.421 20 0 BEADMN CC[C@@H](F)CN(C)[C@H](C)CNC(=O)C=C(C)C ZINC001485270734 966570709 /nfs/dbraw/zinc/57/07/09/966570709.db2.gz PTTOYDUEDQSYHJ-VXGBXAGGSA-N 0 1 244.354 2.137 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC001203285644 966598702 /nfs/dbraw/zinc/59/87/02/966598702.db2.gz SRAOVKMXRXYTJV-LLVKDONJSA-N 0 1 207.273 2.081 20 0 BEADMN Cc1ccsc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001204019416 966854890 /nfs/dbraw/zinc/85/48/90/966854890.db2.gz YGGXGOBHGGITFD-GHMZBOCLSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(C)c(-c2ncnc3c2CNC3)c1 ZINC000211441225 1165809808 /nfs/dbraw/zinc/80/98/08/1165809808.db2.gz PKXOUDBJVBLIKF-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1nc[nH]c1CN1CC2(C1)CCCC2 ZINC001204587820 967075098 /nfs/dbraw/zinc/07/50/98/967075098.db2.gz LTAZPYDDZHARMC-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN CC[C@@H]1[C@H](CO)CCN1C/C(Cl)=C\Cl ZINC000385911124 1165822410 /nfs/dbraw/zinc/82/24/10/1165822410.db2.gz RAGREJYIJZNYLZ-UHHLUOIISA-N 0 1 238.158 2.398 20 0 BEADMN Cn1cc(CN2CCCC[C@](C)(F)C2)cn1 ZINC001204979506 967275662 /nfs/dbraw/zinc/27/56/62/967275662.db2.gz WCGFSWLWXNFXAK-LBPRGKRZSA-N 0 1 225.311 2.134 20 0 BEADMN CCSC[C@H](C)N1CCC(=O)C[C@H]1C ZINC000253028160 1165836181 /nfs/dbraw/zinc/83/61/81/1165836181.db2.gz OZPRVVIHKQRYKE-ZJUUUORDSA-N 0 1 215.362 2.181 20 0 BEADMN C[C@H](Nc1cc[nH+]c(CN)c1)C(C)(C)C ZINC001168685195 967327193 /nfs/dbraw/zinc/32/71/93/967327193.db2.gz WHNINBRJFJPHFG-VIFPVBQESA-N 0 1 207.321 2.387 20 0 BEADMN CSc1cnc(F)c(-n2cnc(C)c2N)c1 ZINC001250138006 967420511 /nfs/dbraw/zinc/42/05/11/967420511.db2.gz GHLZZMWLXRLRGJ-UHFFFAOYSA-N 0 1 238.291 2.019 20 0 BEADMN Cc1cccnc1CNCc1cccc(CO)c1 ZINC000228820405 1165859089 /nfs/dbraw/zinc/85/90/89/1165859089.db2.gz KQKLPPIDJQJTJB-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN Cc1ncsc1CN1CCC[C@]2(CCO2)C1 ZINC001206988225 1165865201 /nfs/dbraw/zinc/86/52/01/1165865201.db2.gz ZYVMSYIOXHKKSA-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN CN(C1COC1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168735384 967694511 /nfs/dbraw/zinc/69/45/11/967694511.db2.gz RWOCRAKJAIBGBR-SNVBAGLBSA-N 0 1 237.730 2.138 20 0 BEADMN FC1(F)CCCN(Cc2cnoc2)CC1 ZINC001205670766 967753679 /nfs/dbraw/zinc/75/36/79/967753679.db2.gz UTYFPEASQIEXQY-UHFFFAOYSA-N 0 1 216.231 2.296 20 0 BEADMN Cc1cnccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001205835539 967844445 /nfs/dbraw/zinc/84/44/45/967844445.db2.gz SUOIRQSUSCMRHV-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN C[C@@H](N[C@H]1CCSC1)c1nccs1 ZINC000070634010 1165940750 /nfs/dbraw/zinc/94/07/50/1165940750.db2.gz JXASJEIUWODUSI-SFYZADRCSA-N 0 1 214.359 2.299 20 0 BEADMN Cc1nnc(SCc2cc(Cl)ccn2)[nH]1 ZINC000086130987 1165941556 /nfs/dbraw/zinc/94/15/56/1165941556.db2.gz XALFAOMFSCROHG-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2cc(Cl)ccn2)n1 ZINC000086130987 1165941562 /nfs/dbraw/zinc/94/15/62/1165941562.db2.gz XALFAOMFSCROHG-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CCC1(CC)CCN(c2nccnc2CN)CC1 ZINC000062951157 1166023152 /nfs/dbraw/zinc/02/31/52/1166023152.db2.gz UXYJJSZJXMARRH-UHFFFAOYSA-N 0 1 248.374 2.342 20 0 BEADMN Cc1ncc(CN2CCC[C@H]3C[C@H]32)s1 ZINC001207063408 968591240 /nfs/dbraw/zinc/59/12/40/968591240.db2.gz WYDFJKCXCSIGDF-GXSJLCMTSA-N 0 1 208.330 2.436 20 0 BEADMN CCCN(CCOC)Cc1c(C)noc1C ZINC001207132916 968646963 /nfs/dbraw/zinc/64/69/63/968646963.db2.gz NUCUZDKHIYJVQH-UHFFFAOYSA-N 0 1 226.320 2.150 20 0 BEADMN COC1(CN2CC(OC(C)C)C2)CCCCC1 ZINC001207404657 968756090 /nfs/dbraw/zinc/75/60/90/968756090.db2.gz WLGVWVPLOHKJHW-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(CN2CCCC(F)(F)[C@H](F)C2)COC1 ZINC001207791045 968884991 /nfs/dbraw/zinc/88/49/91/968884991.db2.gz LAHQFTJSLNBMAW-SECBINFHSA-N 0 1 237.265 2.092 20 0 BEADMN C[C@H]([NH2+]Cc1nc(C(F)(F)F)n[n-]1)C1CCC1 ZINC001207872712 968914069 /nfs/dbraw/zinc/91/40/69/968914069.db2.gz GZXJCAKNVSJIBB-LURJTMIESA-N 0 1 248.252 2.102 20 0 BEADMN CCC[C@H](O)CNCc1cc(C(C)C)no1 ZINC001252801018 968984721 /nfs/dbraw/zinc/98/47/21/968984721.db2.gz SHFSKKJNNSWLAG-JTQLQIEISA-N 0 1 226.320 2.049 20 0 BEADMN CCN(CC[C@H](C)SC)[C@@H](C)C(=O)OC ZINC001208149575 969074344 /nfs/dbraw/zinc/07/43/44/969074344.db2.gz ACLMQATYOINYMO-UWVGGRQHSA-N 0 1 233.377 2.011 20 0 BEADMN CC1=C[C@H](C)[C@@H](CN2CC3(CCO3)C2)CC1 ZINC001208183114 969113522 /nfs/dbraw/zinc/11/35/22/969113522.db2.gz XDUBEQNQSMEINE-QWHCGFSZSA-N 0 1 221.344 2.454 20 0 BEADMN C[C@@H](CCN1CCCNC(=O)C1)CC(C)(C)C ZINC001208656064 969185588 /nfs/dbraw/zinc/18/55/88/969185588.db2.gz UWCWAFOLFXLBEI-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN CCCCC[C@H](O)CN1CCC(=O)[C@H](C)CC1 ZINC001253525192 969201082 /nfs/dbraw/zinc/20/10/82/969201082.db2.gz KPZGVVKGRRIZBX-OLZOCXBDSA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@H](O)CN1CCO[C@H](C(C)C)C1 ZINC001253537882 969211317 /nfs/dbraw/zinc/21/13/17/969211317.db2.gz MLLGBEXTUQVJFU-KBPBESRZSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1n[nH]cc1CNCc1cc(F)ccc1C ZINC000226511452 1166279486 /nfs/dbraw/zinc/27/94/86/1166279486.db2.gz WZXUEUHBGGQIAR-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCCCC[C@@H](O)CN1CCOCC1(C)C ZINC001253533214 969208676 /nfs/dbraw/zinc/20/86/76/969208676.db2.gz PNOWFOIGHPDUCE-GFCCVEGCSA-N 0 1 229.364 2.038 20 0 BEADMN O=C(Nc1ccccc1O)c1cccc(F)c1O ZINC001626384938 1166282589 /nfs/dbraw/zinc/28/25/89/1166282589.db2.gz IDRUGYJSLUDDER-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN CC(C)CCCN1CC(=O)NC2(CCCC2)C1 ZINC001208737152 969226698 /nfs/dbraw/zinc/22/66/98/969226698.db2.gz IMEHLANUZUYXGY-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCC[C@@H](O)CN[C@@H](C)c1cnccn1 ZINC001253553471 969226722 /nfs/dbraw/zinc/22/67/22/969226722.db2.gz GDQFXTKDZJEOOF-NWDGAFQWSA-N 0 1 237.347 2.068 20 0 BEADMN Clc1ccc(CCN2CC3(COC3)C2)cc1 ZINC001208736318 969228212 /nfs/dbraw/zinc/22/82/12/969228212.db2.gz BMSPMUWFDDGIJU-UHFFFAOYSA-N 0 1 237.730 2.215 20 0 BEADMN C[C@]1(F)CCN(C[C@H]2CCC=CO2)C[C@H]1F ZINC001208876387 969264896 /nfs/dbraw/zinc/26/48/96/969264896.db2.gz GCTDFRVSLHXITM-UTUOFQBUSA-N 0 1 231.286 2.451 20 0 BEADMN COC1(CN[C@@H](C)c2nnc(C)s2)CCC1 ZINC000450747111 1166301518 /nfs/dbraw/zinc/30/15/18/1166301518.db2.gz SLJNOMMGJNNZAK-QMMMGPOBSA-N 0 1 241.360 2.066 20 0 BEADMN C[C@@H](C[N@@H+]1C[C@H](C)N(C)C[C@H]1C)C(F)(F)F ZINC001208895856 969284371 /nfs/dbraw/zinc/28/43/71/969284371.db2.gz NMYVTJUDRRNVOJ-LPEHRKFASA-N 0 1 238.297 2.209 20 0 BEADMN CN(CCF)CCc1ccc2c(c1)CCO2 ZINC001209149536 969358021 /nfs/dbraw/zinc/35/80/21/969358021.db2.gz HSMJPTYPHCVKNJ-UHFFFAOYSA-N 0 1 223.291 2.065 20 0 BEADMN C[C@H]1CC(CN2CC3(C2)CCCO3)C[C@H](C)O1 ZINC001209381755 969446075 /nfs/dbraw/zinc/44/60/75/969446075.db2.gz GRNIPRRPESEURW-RYUDHWBXSA-N 0 1 239.359 2.055 20 0 BEADMN CCCCC=Nc1cnc(C(=O)OCC)cn1 ZINC001210058678 969779014 /nfs/dbraw/zinc/77/90/14/969779014.db2.gz PMJZKUATKNDXMO-VOTSOKGWSA-N 0 1 235.287 2.379 20 0 BEADMN Cc1noc(C)c1CNC/C=C\C1CC1 ZINC000378770127 1166557013 /nfs/dbraw/zinc/55/70/13/1166557013.db2.gz FIWHDTVNRRFHPT-ARJAWSKDSA-N 0 1 206.289 2.347 20 0 BEADMN COCc1ccc(CNC/C=C\C2CC2)o1 ZINC000378789441 1166559742 /nfs/dbraw/zinc/55/97/42/1166559742.db2.gz MUUROGJAFOZWNW-IHWYPQMZSA-N 0 1 221.300 2.482 20 0 BEADMN Cc1nccnc1[C@@H](C)NC/C=C\C1CC1 ZINC000378850816 1166564446 /nfs/dbraw/zinc/56/44/46/1166564446.db2.gz FFIPVQGYYZROEU-UMBAGQNISA-N 0 1 217.316 2.402 20 0 BEADMN Cc1nccnc1[C@H](C)NC/C=C/C1CC1 ZINC000378850808 1166565052 /nfs/dbraw/zinc/56/50/52/1166565052.db2.gz FFIPVQGYYZROEU-FSIBCCDJSA-N 0 1 217.316 2.402 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)OC(C)C ZINC000107947222 1166581210 /nfs/dbraw/zinc/58/12/10/1166581210.db2.gz ZJDWMIZVERTFRB-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC(C)(C)CC1 ZINC001255302199 970068211 /nfs/dbraw/zinc/06/82/11/970068211.db2.gz XBVALOJOJAZPLL-UHFFFAOYSA-N 0 1 211.373 2.440 20 0 BEADMN Cc1cnc(NCCC(=O)NC(C)(C)C)c(C)c1 ZINC000394736005 1166591535 /nfs/dbraw/zinc/59/15/35/1166591535.db2.gz JMBYHSZDYJAFAJ-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN Cc1cnc(NC2(CO)CCCC2)c(C)c1 ZINC000394797593 1166594692 /nfs/dbraw/zinc/59/46/92/1166594692.db2.gz CONBGRVRFGKCBD-UHFFFAOYSA-N 0 1 220.316 2.415 20 0 BEADMN CCN[C@H](C)c1nc(-c2ncccc2C)no1 ZINC000109519090 1166602031 /nfs/dbraw/zinc/60/20/31/1166602031.db2.gz AVOTUSJUWWMFTH-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN CCOC(=O)[C@H]1CCC[C@H](N2CC[C@@H](F)C2)C1 ZINC001255365579 970123542 /nfs/dbraw/zinc/12/35/42/970123542.db2.gz GLSIYKPHGMOTTO-TUAOUCFPSA-N 0 1 243.322 2.152 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001170087865 970222248 /nfs/dbraw/zinc/22/22/48/970222248.db2.gz MPEGSAYRWMVSTP-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN COC[C@@H](C)NCc1c(F)ccc(OC)c1F ZINC001255558637 970338958 /nfs/dbraw/zinc/33/89/58/970338958.db2.gz QIGUILAXDIPLGP-MRVPVSSYSA-N 0 1 245.269 2.098 20 0 BEADMN C[C@H]1CC[C@@H](NC2(c3ncccn3)CC2)C1 ZINC001170115672 970336811 /nfs/dbraw/zinc/33/68/11/970336811.db2.gz AHSFHLQXFRBBSF-WDEREUQCSA-N 0 1 217.316 2.244 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@H]1NCc1csnn1 ZINC000398327401 1166719829 /nfs/dbraw/zinc/71/98/29/1166719829.db2.gz JLAISSVITJCQIQ-PSASIEDQSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H](CO)c1cccnc1 ZINC001255645021 970421160 /nfs/dbraw/zinc/42/11/60/970421160.db2.gz YSMPLAMOCQUBNW-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2c(ncn2C)C1 ZINC001255656421 970430611 /nfs/dbraw/zinc/43/06/11/970430611.db2.gz UCLQADMTTLPPRH-QMMMGPOBSA-N 0 1 247.264 2.119 20 0 BEADMN CC(C)OC(=O)CN1CCCC[C@H]1C(C)C ZINC000395938713 1166732430 /nfs/dbraw/zinc/73/24/30/1166732430.db2.gz USDWYIUIZBMJMI-LBPRGKRZSA-N 0 1 227.348 2.449 20 0 BEADMN CC(=O)CN[C@@H](C)CSc1ccc(F)cc1 ZINC001255727673 970466084 /nfs/dbraw/zinc/46/60/84/970466084.db2.gz HTMZJOVDNYSIHS-VIFPVBQESA-N 0 1 241.331 2.485 20 0 BEADMN CCc1coc(CN[C@@H]2CCO[C@H](CC)C2)n1 ZINC001170161303 970504843 /nfs/dbraw/zinc/50/48/43/970504843.db2.gz NLNVDXLVOQTNSF-VXGBXAGGSA-N 0 1 238.331 2.284 20 0 BEADMN CCC[C@H](CC(=O)OCC)OCc1cnc[nH]1 ZINC001222999438 1166771307 /nfs/dbraw/zinc/77/13/07/1166771307.db2.gz BNZYWDQNIOZTGB-LLVKDONJSA-N 0 1 240.303 2.048 20 0 BEADMN Cc1nnc(-c2cc(Cl)ccc2O)o1 ZINC000238546338 1166905403 /nfs/dbraw/zinc/90/54/03/1166905403.db2.gz ICOYQMJMYKAXMK-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN FC(F)CCNCc1cn2ccccc2n1 ZINC000381562822 1166945667 /nfs/dbraw/zinc/94/56/67/1166945667.db2.gz RAAYNIFPJUPZHA-UHFFFAOYSA-N 0 1 225.242 2.079 20 0 BEADMN Cc1cc(C)c(CNCc2cncs2)cn1 ZINC000397481570 1166995000 /nfs/dbraw/zinc/99/50/00/1166995000.db2.gz FHZSHFKJQHQZQZ-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCC(CC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780730 975080944 /nfs/dbraw/zinc/08/09/44/975080944.db2.gz TUJOKSHSOMOECS-UHFFFAOYSA-N 0 1 238.316 2.209 20 0 BEADMN CC[C@H]1CC[C@H](NCc2ncc(C)cn2)C1 ZINC001173258982 975104164 /nfs/dbraw/zinc/10/41/64/975104164.db2.gz ARHQYPWUWSEODU-RYUDHWBXSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@H]1CC[C@H](N[C@H]2CCSC2=O)C1 ZINC001173266550 975131809 /nfs/dbraw/zinc/13/18/09/975131809.db2.gz MDMACEBPFXQXBH-GUBZILKMSA-N 0 1 213.346 2.187 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2c(c1)C[C@H](C)O2 ZINC000894611974 1167075367 /nfs/dbraw/zinc/07/53/67/1167075367.db2.gz BLKDHJNPFJJPCX-SMDDNHRTSA-N 0 1 247.338 2.231 20 0 BEADMN Cc1[nH]c(=O)nc(O[C@@H]2C=CCC2)c1Cl ZINC001227111588 975282038 /nfs/dbraw/zinc/28/20/38/975282038.db2.gz NZUWGJQTUAOHHZ-SSDOTTSWSA-N 0 1 226.663 2.241 20 0 BEADMN N=C(N)N(c1ccc(F)cc1)c1cccc(F)n1 ZINC001167991343 1167116420 /nfs/dbraw/zinc/11/64/20/1167116420.db2.gz GNNNJCLJYUCVED-UHFFFAOYSA-N 0 1 248.236 2.391 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1nncs1 ZINC001332992101 975359858 /nfs/dbraw/zinc/35/98/58/975359858.db2.gz SVZUXOGANKQBBS-BDAKNGLRSA-N 0 1 211.334 2.206 20 0 BEADMN CCC[C@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599293 975568081 /nfs/dbraw/zinc/56/80/81/975568081.db2.gz XUXJIFARXFOBNJ-LURJTMIESA-N 0 1 213.306 2.036 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)c1ccco1 ZINC001227602853 975575742 /nfs/dbraw/zinc/57/57/42/975575742.db2.gz ZMAKBYQTKFKCQU-SSDOTTSWSA-N 0 1 237.284 2.202 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OCC1CC=CC1 ZINC001333227252 975579049 /nfs/dbraw/zinc/57/90/49/975579049.db2.gz IGPOHLOOFPPNLK-RYUDHWBXSA-N 0 1 237.343 2.369 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCC[C@@H]1C ZINC001227600182 975573960 /nfs/dbraw/zinc/57/39/60/975573960.db2.gz MXAIHHOEAIGZMZ-POYBYMJQSA-N 0 1 225.317 2.036 20 0 BEADMN COc1ccc(Cl)c(O[C@H]2CCN(C)C2)c1 ZINC001227693413 975623382 /nfs/dbraw/zinc/62/33/82/975623382.db2.gz BPIHSIUYOGKKCD-JTQLQIEISA-N 0 1 241.718 2.432 20 0 BEADMN CC(C)[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227714135 975642061 /nfs/dbraw/zinc/64/20/61/975642061.db2.gz RKTHCDKKSPGPKC-JGVFFNPUSA-N 0 1 238.287 2.197 20 0 BEADMN CCOC(=O)CN1C[C@H](CC)CC[C@@H]1C ZINC000308886986 1167213336 /nfs/dbraw/zinc/21/33/36/1167213336.db2.gz XBPSITYTRYXBKB-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN COc1nc(O[C@@H](C)C2CCCC2)cc(=O)[nH]1 ZINC001227000290 1167236915 /nfs/dbraw/zinc/23/69/15/1167236915.db2.gz HRACXVNBWHLYDI-QMMMGPOBSA-N 0 1 238.287 2.148 20 0 BEADMN COc1cccc(Nc2c(C)ncn2C)c1 ZINC001173823912 975839127 /nfs/dbraw/zinc/83/91/27/975839127.db2.gz CNWJTIQGMYIELL-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cc1ccc(Nc2ccncc2)c(F)n1 ZINC001173879493 975916907 /nfs/dbraw/zinc/91/69/07/975916907.db2.gz QXJUFTOHBOZQRH-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN Cc1n[nH]c(C[N@H+](C)CCCOC(C)C)c1C ZINC001333702724 976009775 /nfs/dbraw/zinc/00/97/75/976009775.db2.gz LYHSIAGFBZWCLP-UHFFFAOYSA-N 0 1 239.363 2.273 20 0 BEADMN Cc1n[nH]c(CN(C)CCCOC(C)C)c1C ZINC001333702724 976009788 /nfs/dbraw/zinc/00/97/88/976009788.db2.gz LYHSIAGFBZWCLP-UHFFFAOYSA-N 0 1 239.363 2.273 20 0 BEADMN C[C@H]1CC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480459 976242764 /nfs/dbraw/zinc/24/27/64/976242764.db2.gz KTAITOHGBNGQCF-BQBZGAKWSA-N 0 1 228.679 2.403 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1nc(=O)[nH]cc1Cl ZINC001228480832 976244332 /nfs/dbraw/zinc/24/43/32/976244332.db2.gz PUVCUEGMTSPIRN-POYBYMJQSA-N 0 1 228.679 2.403 20 0 BEADMN O=c1nc(O[C@H]2CCCC[C@H]2F)c(Cl)c[nH]1 ZINC001228481564 976253154 /nfs/dbraw/zinc/25/31/54/976253154.db2.gz CIGFJRPXEHOKLE-SFYZADRCSA-N 0 1 246.669 2.495 20 0 BEADMN O=c1nc(O[C@@H]2CCCC[C@@H]2F)c(Cl)c[nH]1 ZINC001228481563 976254629 /nfs/dbraw/zinc/25/46/29/976254629.db2.gz CIGFJRPXEHOKLE-JGVFFNPUSA-N 0 1 246.669 2.495 20 0 BEADMN C[C@H](Oc1[nH]c(=O)nc2[nH]ccc21)C1CCC1 ZINC001227270373 1167312767 /nfs/dbraw/zinc/31/27/67/1167312767.db2.gz GKVUXSGMTZEKNN-ZETCQYMHSA-N 0 1 233.271 2.231 20 0 BEADMN CCc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)on1 ZINC001203220590 1167337029 /nfs/dbraw/zinc/33/70/29/1167337029.db2.gz UQTCXNATAHHCNG-PTOFAABTSA-N 0 1 224.279 2.169 20 0 BEADMN c1cc(Nc2ccc3cn[nH]c3c2)on1 ZINC001174498198 976723257 /nfs/dbraw/zinc/72/32/57/976723257.db2.gz YRIWGNWFPYJPQB-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN C[C@H]1[C@@H](O)CCCN1CCSC(F)(F)F ZINC000384841272 1167369180 /nfs/dbraw/zinc/36/91/80/1167369180.db2.gz JBKKUCSDDAWLPB-YUMQZZPRSA-N 0 1 243.294 2.085 20 0 BEADMN Nc1cccc(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000227142628 1167391918 /nfs/dbraw/zinc/39/19/18/1167391918.db2.gz DJCCSNZPTDHEGK-ZIAGYGMSSA-N 0 1 232.327 2.022 20 0 BEADMN Nc1cncn1-c1cc(Cl)ccc1F ZINC001175299197 977357313 /nfs/dbraw/zinc/35/73/13/977357313.db2.gz YQLVOMBFHNWHPX-UHFFFAOYSA-N 0 1 211.627 2.247 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438300 1167472343 /nfs/dbraw/zinc/47/23/43/1167472343.db2.gz HLFJPTJMCQIITH-JGVFFNPUSA-N 0 1 234.303 2.475 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438301 1167472560 /nfs/dbraw/zinc/47/25/60/1167472560.db2.gz HLFJPTJMCQIITH-SFYZADRCSA-N 0 1 234.303 2.475 20 0 BEADMN CC(C)c1nc(CNCC(C)(C)O)cs1 ZINC000111385917 1167510083 /nfs/dbraw/zinc/51/00/83/1167510083.db2.gz WKKMBRJFBUXVOZ-UHFFFAOYSA-N 0 1 228.361 2.127 20 0 BEADMN Cc1c(F)ccc(CN2C[C@H](C)[C@H](O)C2)c1F ZINC001231475178 977595245 /nfs/dbraw/zinc/59/52/45/977595245.db2.gz IFHVSVXPCJVZKS-QPUJVOFHSA-N 0 1 241.281 2.086 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001231460726 977595969 /nfs/dbraw/zinc/59/59/69/977595969.db2.gz AVNDWSVIHQRWMJ-HTQZYQBOSA-N 0 1 243.303 2.379 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001231460726 977595975 /nfs/dbraw/zinc/59/59/75/977595975.db2.gz AVNDWSVIHQRWMJ-HTQZYQBOSA-N 0 1 243.303 2.379 20 0 BEADMN Cc1c(F)ccc(CN2CC[C@](C)(O)C2)c1F ZINC001231475036 977597980 /nfs/dbraw/zinc/59/79/80/977597980.db2.gz FHCMOOKOONEAJS-ZDUSSCGKSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1noc([C@H](N[C@@H]2CC[C@H]2C)C(C)C)n1 ZINC000381285707 1167540343 /nfs/dbraw/zinc/54/03/43/1167540343.db2.gz ZNWLQDCFAALWKV-FBIMIBRVSA-N 0 1 223.320 2.463 20 0 BEADMN COc1ncc(F)cc1CN1CCC[C@@H]1C ZINC001231739755 977724411 /nfs/dbraw/zinc/72/44/11/977724411.db2.gz FPSPUHWWPHDZLD-VIFPVBQESA-N 0 1 224.279 2.214 20 0 BEADMN C[C@@H](CNc1nccnc1CN)C(C)(C)C ZINC001336513228 977735935 /nfs/dbraw/zinc/73/59/35/977735935.db2.gz FZUQXJJXSDMTOQ-VIFPVBQESA-N 0 1 222.336 2.029 20 0 BEADMN c1cc(CN2CC[C@@]3(C2)CCCCO3)sn1 ZINC001232188799 977908721 /nfs/dbraw/zinc/90/87/21/977908721.db2.gz MOYWFBFKXDBCSJ-GFCCVEGCSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1scnc1CN1C[C@@H](CO)CC[C@H]1C ZINC001232204532 977924268 /nfs/dbraw/zinc/92/42/68/977924268.db2.gz PNPIIYDDSNCVAL-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCC[C@H](CO)CC1 ZINC001232209934 977939869 /nfs/dbraw/zinc/93/98/69/977939869.db2.gz JDCRZIFINQELIT-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN F[C@@H]1CCCN(Cc2cnsc2)CC1 ZINC001232224449 977949878 /nfs/dbraw/zinc/94/98/78/977949878.db2.gz LBPYJYIEQXYKFH-SNVBAGLBSA-N 0 1 214.309 2.467 20 0 BEADMN COCCN(C)Cc1ccnc(C(F)(F)F)c1 ZINC001232236439 977967907 /nfs/dbraw/zinc/96/79/07/977967907.db2.gz HDSACIMAUYZREL-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN C1=C[C@@H](NCc2cn3ccccc3n2)CC1 ZINC000698251589 1167642188 /nfs/dbraw/zinc/64/21/88/1167642188.db2.gz WPIANNHTMCAQHD-LLVKDONJSA-N 0 1 213.284 2.143 20 0 BEADMN FC(F)(F)c1cnccc1NC1CCC1 ZINC001336931891 978067229 /nfs/dbraw/zinc/06/72/29/978067229.db2.gz CFNVOVUSQLIVBQ-UHFFFAOYSA-N 0 1 216.206 2.487 20 0 BEADMN CCc1csc(CN2CC[C@@H](COC)C2)n1 ZINC001232472795 978117307 /nfs/dbraw/zinc/11/73/07/978117307.db2.gz QFZVTMPPHCYGHQ-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN FC[C@@H]1CCCN(Cc2cc(F)ccn2)C1 ZINC001232496226 978152336 /nfs/dbraw/zinc/15/23/36/978152336.db2.gz QMUKJNSGPRQALA-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN CCCn1cnc(CN2CCCC23CC3)c1 ZINC001232795978 1167699515 /nfs/dbraw/zinc/69/95/15/1167699515.db2.gz SEEHNBKIXZSOLT-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC2)cc1 ZINC000261262929 978242700 /nfs/dbraw/zinc/24/27/00/978242700.db2.gz GEYBVWRMYHTSQB-UHFFFAOYSA-N 0 1 219.284 2.069 20 0 BEADMN Cc1c(CN(C)[C@H]2CCOC2)ccnc1Cl ZINC001232753497 978247599 /nfs/dbraw/zinc/24/75/99/978247599.db2.gz LCYFSLMUKSQBIB-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN Cc1cc(CN2C[C@@H](O)C[C@H]2C)c(F)cc1F ZINC001232785325 978274435 /nfs/dbraw/zinc/27/44/35/978274435.db2.gz RNAYFLMWKPOLBR-KOLCDFICSA-N 0 1 241.281 2.228 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(F)cnc2C)C1 ZINC001232986626 978389786 /nfs/dbraw/zinc/38/97/86/978389786.db2.gz LECLMBUPHVULLS-ZDUSSCGKSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(CN2CC[C@@](C)(O)[C@H](C)C2)sn1 ZINC001233309804 978533256 /nfs/dbraw/zinc/53/32/56/978533256.db2.gz CBUFOUIBSHESRL-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(O)cc1 ZINC000140257493 1167833641 /nfs/dbraw/zinc/83/36/41/1167833641.db2.gz HKPNJSSVAVVVHT-UHFFFAOYSA-N 0 1 225.251 2.313 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2sncc2C)C1 ZINC001233321242 978557486 /nfs/dbraw/zinc/55/74/86/978557486.db2.gz GHDRJGXIKCHQIE-LLVKDONJSA-N 0 1 238.356 2.253 20 0 BEADMN Cc1ncc(CN2CC[C@](C)(CF)C2)o1 ZINC001233365072 978577968 /nfs/dbraw/zinc/57/79/68/978577968.db2.gz XDEHUEISMONJHJ-LLVKDONJSA-N 0 1 212.268 2.165 20 0 BEADMN Cc1cc(CN2C[C@@H](F)C[C@H]2CO)sc1C ZINC001233655782 978662689 /nfs/dbraw/zinc/66/26/89/978662689.db2.gz MPSRUKNZBFEELG-QWRGUYRKSA-N 0 1 243.347 2.270 20 0 BEADMN COCCc1cc(F)c(O)c(Cl)c1 ZINC001249937589 978713584 /nfs/dbraw/zinc/71/35/84/978713584.db2.gz AQDYJWFDVTVVBS-UHFFFAOYSA-N 0 1 204.628 2.374 20 0 BEADMN Cc1oc(C[N@@H+](C)CC2(F)CC2)cc1C(=O)[O-] ZINC001600842198 978737145 /nfs/dbraw/zinc/73/71/45/978737145.db2.gz ANUAOKVTWZVXPJ-UHFFFAOYSA-N 0 1 241.262 2.220 20 0 BEADMN Cc1oc(C[N@H+](C)CC2(F)CC2)cc1C(=O)[O-] ZINC001600842198 978737150 /nfs/dbraw/zinc/73/71/50/978737150.db2.gz ANUAOKVTWZVXPJ-UHFFFAOYSA-N 0 1 241.262 2.220 20 0 BEADMN CCn1ccc(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001180199520 978843494 /nfs/dbraw/zinc/84/34/94/978843494.db2.gz UREKERMIDBNORY-NEPJUHHUSA-N 0 1 221.348 2.381 20 0 BEADMN CC(C)[N@H+](Cc1ncc(F)cn1)CC1CC1 ZINC001235003863 978948228 /nfs/dbraw/zinc/94/82/28/978948228.db2.gz KYQKMVVKLAOVNV-UHFFFAOYSA-N 0 1 223.295 2.236 20 0 BEADMN CC(C)N(Cc1ncc(F)cn1)CC1CC1 ZINC001235003863 978948234 /nfs/dbraw/zinc/94/82/34/978948234.db2.gz KYQKMVVKLAOVNV-UHFFFAOYSA-N 0 1 223.295 2.236 20 0 BEADMN COc1cc(CN(C)CC2CCC2)c(F)cn1 ZINC001235314867 979021719 /nfs/dbraw/zinc/02/17/19/979021719.db2.gz BSXCFBBCFXASQM-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CCC[C@H](C)CC(=O)NCCCN(C)CCF ZINC001235349334 979031173 /nfs/dbraw/zinc/03/11/73/979031173.db2.gz CAQGOVKPVUKNJN-LBPRGKRZSA-N 0 1 246.370 2.220 20 0 BEADMN CC(C)SCC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001603088096 979375680 /nfs/dbraw/zinc/37/56/80/979375680.db2.gz NVQJRKPZSQIQMW-GHMZBOCLSA-N 0 1 245.388 2.456 20 0 BEADMN Cc1nc2ccc(Nc3nnc(C)o3)cc2[nH]1 ZINC001213070470 1168234281 /nfs/dbraw/zinc/23/42/81/1168234281.db2.gz RIWAFKGPZOWUAC-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@@H]1CCN1C(C)C ZINC001182847982 979650162 /nfs/dbraw/zinc/65/01/62/979650162.db2.gz ABHJKUDFZSMDKB-ZDUSSCGKSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H](OC(C)C)C2)o1 ZINC001236595837 979672090 /nfs/dbraw/zinc/67/20/90/979672090.db2.gz XCMWSQDYYKJQKM-LBPRGKRZSA-N 0 1 238.331 2.291 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001604698270 979705348 /nfs/dbraw/zinc/70/53/48/979705348.db2.gz PCVCJXIHPMFGSJ-XFWSIPNHSA-N 0 1 247.285 2.073 20 0 BEADMN CCOc1cncc(CN(C)CCSC)c1 ZINC001236840058 979753927 /nfs/dbraw/zinc/75/39/27/979753927.db2.gz CZATUHIVVFSOMA-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](O)C2)c1Cl ZINC001236850076 979759079 /nfs/dbraw/zinc/75/90/79/979759079.db2.gz DDMMPANQZOJXCP-LLVKDONJSA-N 0 1 225.719 2.215 20 0 BEADMN Cc1cccc(CN2CC[C@@H](O)C2)c1Cl ZINC001236850076 979759088 /nfs/dbraw/zinc/75/90/88/979759088.db2.gz DDMMPANQZOJXCP-LLVKDONJSA-N 0 1 225.719 2.215 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC001604924148 979774223 /nfs/dbraw/zinc/77/42/23/979774223.db2.gz MKAZWGPWXRQWIM-WPRPVWTQSA-N 0 1 231.723 2.314 20 0 BEADMN Fc1nccc(Cl)c1CNCC1CSC1 ZINC001183218366 979777332 /nfs/dbraw/zinc/77/73/32/979777332.db2.gz PMAQPKVCJLHBPP-UHFFFAOYSA-N 0 1 246.738 2.327 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001604959713 979782555 /nfs/dbraw/zinc/78/25/55/979782555.db2.gz IOKLJYNJFGXYSD-SECBINFHSA-N 0 1 238.331 2.262 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001604960892 979784004 /nfs/dbraw/zinc/78/40/04/979784004.db2.gz XPQDUYBLGJSSGS-VIFPVBQESA-N 0 1 224.304 2.252 20 0 BEADMN CC1(C)COCCN1CC1OC=CC1=S ZINC001237189259 979839464 /nfs/dbraw/zinc/83/94/64/979839464.db2.gz BPMRDDJCQBTVMR-UHFFFAOYSA-N 0 1 227.329 2.179 20 0 BEADMN CC[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001605435962 979873981 /nfs/dbraw/zinc/87/39/81/979873981.db2.gz XAUPXFGJUVGGLY-SFYZADRCSA-N 0 1 235.274 2.073 20 0 BEADMN CC[N@@H+](CCCCCCCO)C(C)(C)C(=O)[O-] ZINC001605444915 979876825 /nfs/dbraw/zinc/87/68/25/979876825.db2.gz DOOYNIHNJQDUDJ-UHFFFAOYSA-N 0 1 245.363 2.114 20 0 BEADMN CC(=O)CN(C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168723017 1168374996 /nfs/dbraw/zinc/37/49/96/1168374996.db2.gz XQLSMOKTCVKEFR-LLVKDONJSA-N 0 1 237.730 2.328 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)C[C@H]2C)nc1 ZINC001237805091 980056468 /nfs/dbraw/zinc/05/64/68/980056468.db2.gz ADLCMRZCBJMOAE-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN COc1ccoc1C[N@H+]1CCCOC(C)(C)C1 ZINC001237865828 980103246 /nfs/dbraw/zinc/10/32/46/980103246.db2.gz DXSFUWRGEWUNTI-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN COc1ccoc1CN1CCCOC(C)(C)C1 ZINC001237865828 980103252 /nfs/dbraw/zinc/10/32/52/980103252.db2.gz DXSFUWRGEWUNTI-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@H]1CCCCN1Cc1c(N)ccnc1F ZINC001238151850 980176026 /nfs/dbraw/zinc/17/60/26/980176026.db2.gz GTYLBOKBZHAYJL-VIFPVBQESA-N 0 1 223.295 2.177 20 0 BEADMN C1=CCN(Cc2cncc(C3CC3)c2)C1 ZINC001238182515 980215069 /nfs/dbraw/zinc/21/50/69/980215069.db2.gz UPHPCMUJMCZGQA-UHFFFAOYSA-N 0 1 200.285 2.331 20 0 BEADMN O=C(NCC1CC1)Nc1cc(O)c(F)c(F)c1 ZINC001186613846 980413015 /nfs/dbraw/zinc/41/30/15/980413015.db2.gz VEDWPUZNDJNFML-UHFFFAOYSA-N 0 1 242.225 2.202 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CCCC[C@@H]1F ZINC001344997704 980514912 /nfs/dbraw/zinc/51/49/12/980514912.db2.gz NAQVYMKFWWULBC-IUCAKERBSA-N 0 1 226.251 2.156 20 0 BEADMN Nc1nccc(F)c1-c1cc(F)c(O)c(F)c1 ZINC001244096036 1168549211 /nfs/dbraw/zinc/54/92/11/1168549211.db2.gz IKQHHLHJIRJQTO-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN O=C(OCc1nnc[nH]1)C1CCCCCCC1 ZINC001346740154 980896162 /nfs/dbraw/zinc/89/61/62/980896162.db2.gz OGKWGVOFXCATNP-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN Oc1cccc(F)c1-c1ccc(F)nn1 ZINC001245653025 1168605224 /nfs/dbraw/zinc/60/52/24/1168605224.db2.gz DWMHVCINBLAXON-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CC[C@@](N)(CO)Nc1cccc2ccc(C)nc21 ZINC001170863153 1168612252 /nfs/dbraw/zinc/61/22/52/1168612252.db2.gz BDOKBACMEFJDAD-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC(=O)CC(C)(C)Nc1ccc(CN(C)C)cn1 ZINC001171497449 1168674736 /nfs/dbraw/zinc/67/47/36/1168674736.db2.gz RPSFFOKXJPCCER-UHFFFAOYSA-N 0 1 249.358 2.313 20 0 BEADMN O=C(OCc1nc[nH]c1C(F)(F)F)C1CCC1 ZINC001348974886 981491522 /nfs/dbraw/zinc/49/15/22/981491522.db2.gz BWLVLFMKRINJAN-UHFFFAOYSA-N 0 1 248.204 2.272 20 0 BEADMN CC(C)COCC[C@@H](C)N1CCC(=O)C[C@@H]1C ZINC001172470773 1168680788 /nfs/dbraw/zinc/68/07/88/1168680788.db2.gz DHTJMDMVDBYHHV-OLZOCXBDSA-N 0 1 241.375 2.491 20 0 BEADMN CCCC=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001350553204 981999959 /nfs/dbraw/zinc/99/99/59/981999959.db2.gz MXSGQNDLOXTSEE-VOTSOKGWSA-N 0 1 222.292 2.223 20 0 BEADMN CCC/C=C/C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001350553204 981999973 /nfs/dbraw/zinc/99/99/73/981999973.db2.gz MXSGQNDLOXTSEE-VOTSOKGWSA-N 0 1 222.292 2.223 20 0 BEADMN CC[C@H](C)OC(=O)N1CCN(CC(C)C)CC1 ZINC001195087920 982074170 /nfs/dbraw/zinc/07/41/70/982074170.db2.gz KQWWMCMAUHMHRD-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCC1=O ZINC001203302140 982342849 /nfs/dbraw/zinc/34/28/49/982342849.db2.gz LQEPLBVREDIVNL-GFCCVEGCSA-N 0 1 217.312 2.488 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2)CCCC1=O ZINC001203302140 982342856 /nfs/dbraw/zinc/34/28/56/982342856.db2.gz LQEPLBVREDIVNL-GFCCVEGCSA-N 0 1 217.312 2.488 20 0 BEADMN CSc1nc(C2=CCN(C)CC2)ncc1F ZINC001241308066 982449013 /nfs/dbraw/zinc/44/90/13/982449013.db2.gz FYFPEJQVPAXHRM-UHFFFAOYSA-N 0 1 239.319 2.057 20 0 BEADMN c1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)[nH]n1 ZINC000136438113 1168829585 /nfs/dbraw/zinc/82/95/85/1168829585.db2.gz GTOPXOGLAPOFEX-RBSFLKMASA-N 0 1 239.322 2.085 20 0 BEADMN COC(=O)c1ccoc1CN[C@H](C)C1(C)CC1 ZINC001198406920 982702796 /nfs/dbraw/zinc/70/27/96/982702796.db2.gz OWRSOSRHWVJLOG-SECBINFHSA-N 0 1 237.299 2.344 20 0 BEADMN Fc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001203918231 982869056 /nfs/dbraw/zinc/86/90/56/982869056.db2.gz ZQQUXWRYHFTPLZ-WCQYABFASA-N 0 1 221.275 2.046 20 0 BEADMN Cc1ccc2c(cccc2Nc2nonc2N)n1 ZINC001212795244 1168945056 /nfs/dbraw/zinc/94/50/56/1168945056.db2.gz WXHLAJGWOTTWKJ-UHFFFAOYSA-N 0 1 241.254 2.252 20 0 BEADMN Cc1cc(C)nc(Nc2ccc(N)nc2)c1 ZINC001201272248 983173874 /nfs/dbraw/zinc/17/38/74/983173874.db2.gz KZACENWAIPOVAG-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN CCCCC(=O)N1CCN(CCCC)CC1 ZINC000242974545 1169014131 /nfs/dbraw/zinc/01/41/31/1169014131.db2.gz HOYOMAOKATYBCL-UHFFFAOYSA-N 0 1 226.364 2.121 20 0 BEADMN CCC[C@H](C)CN1CC(N2CCC(F)(F)C2)C1 ZINC001201552934 983308707 /nfs/dbraw/zinc/30/87/07/983308707.db2.gz WGCXZHQVKASIJL-NSHDSACASA-N 0 1 246.345 2.448 20 0 BEADMN CCCC[C@@H](CC)CN1CCO[C@@H](C(C)=O)C1 ZINC001201572386 983336970 /nfs/dbraw/zinc/33/69/70/983336970.db2.gz JLCJAGPNHVHDRV-ZIAGYGMSSA-N 0 1 241.375 2.493 20 0 BEADMN C=CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC001356508888 983613546 /nfs/dbraw/zinc/61/35/46/983613546.db2.gz FZDYPTVEMMSIPV-UHFFFAOYSA-N 0 1 222.263 2.012 20 0 BEADMN CCCC[C@H](O)CN[C@H](C)c1cscn1 ZINC001252108688 983681754 /nfs/dbraw/zinc/68/17/54/983681754.db2.gz RBCAMAYBQAREDZ-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN CC(C)C[C@@H](C)C[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001258073229 1169135821 /nfs/dbraw/zinc/13/58/21/1169135821.db2.gz BJECRVGPONNEPF-AGIUHOORSA-N 0 1 240.391 2.268 20 0 BEADMN NCc1nccnc1Oc1ccc(F)cc1F ZINC000054378395 1169138143 /nfs/dbraw/zinc/13/81/43/1169138143.db2.gz UHJXXWSDIQREFA-UHFFFAOYSA-N 0 1 237.209 2.006 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2C[C@H]2CC(C)C)n[nH]1 ZINC001626148915 1169211194 /nfs/dbraw/zinc/21/11/94/1169211194.db2.gz UDLZNZAAHJKEKZ-DGCLKSJQSA-N 0 1 249.358 2.202 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000308909061 950659348 /nfs/dbraw/zinc/65/93/48/950659348.db2.gz FVTPWSUSJUCVQT-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCCCF ZINC000309211104 950669336 /nfs/dbraw/zinc/66/93/36/950669336.db2.gz NWWUSOOTIJOWGF-LLVKDONJSA-N 0 1 231.311 2.455 20 0 BEADMN Cc1cnc(C[NH2+][C@H](CC(C)C)C(=O)[O-])s1 ZINC000394702658 951454837 /nfs/dbraw/zinc/45/48/37/951454837.db2.gz GPQYUWWEUFGHLZ-SECBINFHSA-N 0 1 242.344 2.040 20 0 BEADMN CCOC(=O)/C=C\C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000394895858 1169258515 /nfs/dbraw/zinc/25/85/15/1169258515.db2.gz CHJKODJGGDMOGU-FJOGCWAESA-N 0 1 248.326 2.194 20 0 BEADMN CCOC(=O)/C=C\CN(C)[C@@H](C)c1ccncc1 ZINC000394895858 1169258520 /nfs/dbraw/zinc/25/85/20/1169258520.db2.gz CHJKODJGGDMOGU-FJOGCWAESA-N 0 1 248.326 2.194 20 0 BEADMN CC(C)[C@H](C)Oc1cccc2[nH]nnc21 ZINC001225991227 974754312 /nfs/dbraw/zinc/75/43/12/974754312.db2.gz XIMNJIPUDIAJKK-QMMMGPOBSA-N 0 1 205.261 2.381 20 0 BEADMN Cc1nonc1CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000782105813 1169292685 /nfs/dbraw/zinc/29/26/85/1169292685.db2.gz DWDRYYHPMTXPSJ-GXFFZTMASA-N 0 1 235.331 2.390 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226159426 974813072 /nfs/dbraw/zinc/81/30/72/974813072.db2.gz MAKLQPADSQJHEK-CBAPKCEASA-N 0 1 210.277 2.304 20 0 BEADMN Cc1nc(CN(C)Cc2cnc[nH]2)c(C)s1 ZINC001327571314 972645078 /nfs/dbraw/zinc/64/50/78/972645078.db2.gz AJRCYYUGBFPBRI-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN C[C@@H]1CN(Cc2cccc3nccnc23)C[C@@H]1F ZINC001138298894 1169352290 /nfs/dbraw/zinc/35/22/90/1169352290.db2.gz HTXINWYDCGMCIA-PWSUYJOCSA-N 0 1 245.301 2.420 20 0 BEADMN CN(Cc1[nH]nc2ccc(F)cc21)CC(F)F ZINC001144206045 972692906 /nfs/dbraw/zinc/69/29/06/972692906.db2.gz WWPBLYZBMRLYHN-UHFFFAOYSA-N 0 1 243.232 2.399 20 0 BEADMN COC1(C)CN(Cc2cccc3c2ccn3C)C1 ZINC001139157646 1169363870 /nfs/dbraw/zinc/36/38/70/1169363870.db2.gz QNVILCFCIKQLHV-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN COc1ccc(CN2CC[C@](C)(CF)C2)nc1 ZINC001144419622 972808642 /nfs/dbraw/zinc/80/86/42/972808642.db2.gz AQBNBVUPKODSFQ-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN CCn1ncc(CN[C@H]2CCC23CCCC3)n1 ZINC000839063934 1169390923 /nfs/dbraw/zinc/39/09/23/1169390923.db2.gz UWTJBCGOYRZXBH-LBPRGKRZSA-N 0 1 234.347 2.110 20 0 BEADMN C1=C(Nc2cnc(-c3ccccc3)cn2)COC1 ZINC001203378909 1169428220 /nfs/dbraw/zinc/42/82/20/1169428220.db2.gz CODDWFSSAKBXBC-UHFFFAOYSA-N 0 1 239.278 2.470 20 0 BEADMN CCOC(=O)CN(C)[C@@H](C)CCC(C)C ZINC001256363466 970768605 /nfs/dbraw/zinc/76/86/05/970768605.db2.gz KHSVMAZLSWYVNI-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cc1nonc1Nc1cc2n[nH]cc2c(F)c1 ZINC001215553094 970785485 /nfs/dbraw/zinc/78/54/85/970785485.db2.gz OOMBQCLSVQMCKN-UHFFFAOYSA-N 0 1 233.206 2.137 20 0 BEADMN Nc1cccnc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552834 970789707 /nfs/dbraw/zinc/78/97/07/970789707.db2.gz GUYQIQRMPBOBIN-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN COc1c(F)c(C)ccc1-n1cnc(C)c1N ZINC001215601434 970798111 /nfs/dbraw/zinc/79/81/11/970798111.db2.gz PWWPFFAPLZIVNU-UHFFFAOYSA-N 0 1 235.262 2.219 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCCC(=O)CC1 ZINC001256413143 970822253 /nfs/dbraw/zinc/82/22/53/970822253.db2.gz BUQSIRGTJOJWSB-LBPRGKRZSA-N 0 1 232.327 2.068 20 0 BEADMN CCOC1CCC(NCc2nc(C)co2)CC1 ZINC001256423991 970831482 /nfs/dbraw/zinc/83/14/82/970831482.db2.gz PLQIEFYQPTTWHF-UHFFFAOYSA-N 0 1 238.331 2.420 20 0 BEADMN CCOC1CCC(N2CC3(C2)CCCO3)CC1 ZINC001256439769 970840329 /nfs/dbraw/zinc/84/03/29/970840329.db2.gz QIZXJMCTFLVCMR-UHFFFAOYSA-N 0 1 239.359 2.199 20 0 BEADMN CCOC1CCC(N(C)Cc2ncccn2)CC1 ZINC001256436681 970840532 /nfs/dbraw/zinc/84/05/32/970840532.db2.gz NOOWZLIXQXQTIJ-UHFFFAOYSA-N 0 1 249.358 2.256 20 0 BEADMN CCOCc1cncc(Nc2cncn2C)c1 ZINC001215787961 970845628 /nfs/dbraw/zinc/84/56/28/970845628.db2.gz XZYPHAJWKSKZIJ-UHFFFAOYSA-N 0 1 232.287 2.095 20 0 BEADMN CC(C)Cc1nnc(-c2cnccc2N(C)C)o1 ZINC001256496456 970854120 /nfs/dbraw/zinc/85/41/20/970854120.db2.gz OZRMTFLUFRYLFQ-UHFFFAOYSA-N 0 1 246.314 2.396 20 0 BEADMN CSc1cccc(F)c1-n1cncc1N ZINC001215823234 970855261 /nfs/dbraw/zinc/85/52/61/970855261.db2.gz OOXFSHRZEUJODG-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1ncnc2c1CCNC2 ZINC001157879394 970866450 /nfs/dbraw/zinc/86/64/50/970866450.db2.gz GKMWVDIHWCZAOJ-MNOVXSKESA-N 0 1 248.374 2.359 20 0 BEADMN Cc1cc(F)cc(C)c1-n1cncc1N ZINC001215962938 970881709 /nfs/dbraw/zinc/88/17/09/970881709.db2.gz PFZGQRURTIISPG-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN COCc1cc(OC)ccc1Nc1cncn1C ZINC001215977354 970887606 /nfs/dbraw/zinc/88/76/06/970887606.db2.gz FCFQPXUHLLJRMX-UHFFFAOYSA-N 0 1 247.298 2.319 20 0 BEADMN CCCC[C@@H](CC)OCCN1CCN(C)CC1 ZINC001224552611 973768266 /nfs/dbraw/zinc/76/82/66/973768266.db2.gz QRQFYYIIZJWPTQ-CQSZACIVSA-N 0 1 242.407 2.219 20 0 BEADMN FC(F)Oc1cccc(CN2CCC2)c1 ZINC001204807729 1169475854 /nfs/dbraw/zinc/47/58/54/1169475854.db2.gz FPDSXQOAPFVLEW-UHFFFAOYSA-N 0 1 213.227 2.494 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC=C(Cl)Cl ZINC000403317504 970907593 /nfs/dbraw/zinc/90/75/93/970907593.db2.gz GJSULQYKMDDMHD-SECBINFHSA-N 0 1 238.114 2.245 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCOC(C)(C)C1 ZINC001256736872 970967112 /nfs/dbraw/zinc/96/71/12/970967112.db2.gz UQARKAZQDUADLZ-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCOCC1(C)C ZINC001256743454 970971686 /nfs/dbraw/zinc/97/16/86/970971686.db2.gz ULTJDMATVDHKKX-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@@H](C)Cc1ccncc1 ZINC001256745509 970981197 /nfs/dbraw/zinc/98/11/97/970981197.db2.gz MHPBWQQABRMFFA-SWLSCSKDSA-N 0 1 246.354 2.456 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CC2CCCC2)n1 ZINC000101668000 970986267 /nfs/dbraw/zinc/98/62/67/970986267.db2.gz JXIHPEFMBOVOIA-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)CC2CCCC2)n[nH]1 ZINC000101668000 970986278 /nfs/dbraw/zinc/98/62/78/970986278.db2.gz JXIHPEFMBOVOIA-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC1(C)[C@H](O)CCN1CC=C(Cl)Cl ZINC000403627665 970997609 /nfs/dbraw/zinc/99/76/09/970997609.db2.gz MHNWWNROWGFFGH-SSDOTTSWSA-N 0 1 224.131 2.151 20 0 BEADMN COc1cc(-n2cncc2N)ccc1C1CC1 ZINC001216250800 971004308 /nfs/dbraw/zinc/00/43/08/971004308.db2.gz RONCZLHBCQRVRP-UHFFFAOYSA-N 0 1 229.283 2.341 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000403672312 971009601 /nfs/dbraw/zinc/00/96/01/971009601.db2.gz VGKJZCLFQPZDAO-HTQZYQBOSA-N 0 1 224.131 2.008 20 0 BEADMN Cc1ncn(-c2cnc(Cl)cc2C)c1N ZINC001216278363 971017256 /nfs/dbraw/zinc/01/72/56/971017256.db2.gz WRFXFLMADLKBBY-UHFFFAOYSA-N 0 1 222.679 2.120 20 0 BEADMN Nc1cncn1-c1cc2c(cccc2F)o1 ZINC001216291791 971018718 /nfs/dbraw/zinc/01/87/18/971018718.db2.gz PZDIRKRUPMTFSL-UHFFFAOYSA-N 0 1 217.203 2.340 20 0 BEADMN Cc1c(O)cccc1Nc1ccnc(CO)c1 ZINC001216319056 971031640 /nfs/dbraw/zinc/03/16/40/971031640.db2.gz OUOJAQGSZPCDPX-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN COC(=O)c1cc(OC)ccc1C1=CNCCC1 ZINC001243950108 971042324 /nfs/dbraw/zinc/04/23/24/971042324.db2.gz NFGODWNDENUGIF-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN CNc1cc(Nc2cc(C)oc(=O)c2)ccn1 ZINC001216334087 971047817 /nfs/dbraw/zinc/04/78/17/971047817.db2.gz NPEYUUIPZPTPHE-UHFFFAOYSA-N 0 1 231.255 2.129 20 0 BEADMN Cc1ncn(-c2c(C)c(F)ccc2F)c1N ZINC001216342155 971055672 /nfs/dbraw/zinc/05/56/72/971055672.db2.gz XQFJVYHEXBOXBC-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN C[N@H+]1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001208857615 1169509456 /nfs/dbraw/zinc/50/94/56/1169509456.db2.gz MQPYNIIBPAOUTJ-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN C[N@@H+]1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001208857615 1169509461 /nfs/dbraw/zinc/50/94/61/1169509461.db2.gz MQPYNIIBPAOUTJ-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN COc1cnc(F)c(Nc2c(C)ncn2C)c1 ZINC001216406757 971077165 /nfs/dbraw/zinc/07/71/65/971077165.db2.gz BIDGGYZQWDEUIV-UHFFFAOYSA-N 0 1 236.250 2.015 20 0 BEADMN Cc1cc(Cl)ccc1-n1cncc1N ZINC001216432668 971087807 /nfs/dbraw/zinc/08/78/07/971087807.db2.gz IADMQOGJYHEFBO-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN CCOc1cccnc1NC1=CCCOC1 ZINC001216504873 971102475 /nfs/dbraw/zinc/10/24/75/971102475.db2.gz AIDUULQFZHYWBS-UHFFFAOYSA-N 0 1 220.272 2.196 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(O)cc2F)C1 ZINC000404003601 971102519 /nfs/dbraw/zinc/10/25/19/971102519.db2.gz NQQGECSYNCOBFT-LBPRGKRZSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1nnc(Nc2cncc(OCC3CC3)c2)o1 ZINC001216595374 971134865 /nfs/dbraw/zinc/13/48/65/971134865.db2.gz FAFIPGCWNLCPIE-UHFFFAOYSA-N 0 1 246.270 2.305 20 0 BEADMN Cc1ncn(-c2ccc3ccccc3n2)c1N ZINC001210814153 1169529652 /nfs/dbraw/zinc/52/96/52/1169529652.db2.gz VPKUWQQYUOYKFK-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1cc(N)ccc1Nc1cncn1C ZINC001211250743 1169531549 /nfs/dbraw/zinc/53/15/49/1169531549.db2.gz OWWHRCXQKXBFHW-UHFFFAOYSA-N 0 1 202.261 2.054 20 0 BEADMN CCC(CC)N[C@@H]1NC(=O)c2ccccc21 ZINC001257290960 971177529 /nfs/dbraw/zinc/17/75/29/971177529.db2.gz QCARXQXBURHVGW-GFCCVEGCSA-N 0 1 218.300 2.207 20 0 BEADMN CC(=O)c1cccc(Nc2cncn2C)c1O ZINC001211250755 1169532480 /nfs/dbraw/zinc/53/24/80/1169532480.db2.gz PFBFYXJSKQUMOC-UHFFFAOYSA-N 0 1 231.255 2.072 20 0 BEADMN CCC(CC)N1CC(NC(=O)OC(C)(C)C)C1 ZINC001257294485 971180440 /nfs/dbraw/zinc/18/04/40/971180440.db2.gz OOCDSOKKNSIPRB-UHFFFAOYSA-N 0 1 242.363 2.384 20 0 BEADMN CCC(=O)CCCN1CCC(F)(F)CC1 ZINC000404774101 971182146 /nfs/dbraw/zinc/18/21/46/971182146.db2.gz RLPKAZQBYXVAPF-UHFFFAOYSA-N 0 1 219.275 2.477 20 0 BEADMN CCC(CC)N(C)Cc1nnc2ccccn21 ZINC001257295795 971185061 /nfs/dbraw/zinc/18/50/61/971185061.db2.gz FICGRKDRWRRPCR-UHFFFAOYSA-N 0 1 232.331 2.350 20 0 BEADMN CCCC(CCC)N(C)CC(=O)OCC ZINC001257338110 971243772 /nfs/dbraw/zinc/24/37/72/971243772.db2.gz RHTRVALCHXUXLP-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CCCCCC[C@H](C)N1CCO[C@H](CO)C1 ZINC001257362513 971276996 /nfs/dbraw/zinc/27/69/96/971276996.db2.gz CWSRERZWBBETAB-STQMWFEESA-N 0 1 229.364 2.038 20 0 BEADMN CCCCCC[C@H](C)[NH2+]CC[P@](=O)([O-])O ZINC001257363282 971278419 /nfs/dbraw/zinc/27/84/19/971278419.db2.gz QECUZWRYJQELRF-JTQLQIEISA-N 0 1 237.280 2.113 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2oc(=O)[nH]c2c1 ZINC000810134013 971316368 /nfs/dbraw/zinc/31/63/68/971316368.db2.gz ULWPXKWAMRQMCG-UHFFFAOYSA-N 0 1 244.254 2.177 20 0 BEADMN CCCC[C@@H](CC)N(C)CC(=O)OCC ZINC001257418753 971317117 /nfs/dbraw/zinc/31/71/17/971317117.db2.gz GLSJXJAAWNNMGR-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC2CC2)[C@@H](C(=O)[O-])C1 ZINC000405970817 971323632 /nfs/dbraw/zinc/32/36/32/971323632.db2.gz QXZSFAZCPOQVJM-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1F ZINC001217694171 971330012 /nfs/dbraw/zinc/33/00/12/971330012.db2.gz BCDBPBUDIVCXKC-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN Clc1cccc(-c2nnc([C@@H]3CCN3)o2)c1 ZINC001217694735 971330894 /nfs/dbraw/zinc/33/08/94/971330894.db2.gz KNWWSLQYIPKXGM-VIFPVBQESA-N 0 1 235.674 2.424 20 0 BEADMN Clc1cccc(Cc2nnc([C@@H]3CCN3)o2)c1 ZINC001217694298 971332133 /nfs/dbraw/zinc/33/21/33/971332133.db2.gz DMBFZYMECDVGBR-JTQLQIEISA-N 0 1 249.701 2.348 20 0 BEADMN CC[C@H](C)N[C@@H]1C(=O)Nc2cccc(C)c21 ZINC001257427771 971332934 /nfs/dbraw/zinc/33/29/34/971332934.db2.gz TVELYBHBVBQOMB-CABZTGNLSA-N 0 1 218.300 2.376 20 0 BEADMN Cc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1C ZINC001217695677 971333743 /nfs/dbraw/zinc/33/37/43/971333743.db2.gz VGQFPTUJXMKLOH-NSHDSACASA-N 0 1 229.283 2.388 20 0 BEADMN Cc1ccccc1Cc1nnc([C@@H]2CCN2)o1 ZINC001217695673 971334792 /nfs/dbraw/zinc/33/47/92/971334792.db2.gz VBQVNYSPCQIGOU-NSHDSACASA-N 0 1 229.283 2.003 20 0 BEADMN CC[C@H](C)NC1(c2ccc(F)cc2)COC1 ZINC001257433505 971344094 /nfs/dbraw/zinc/34/40/94/971344094.db2.gz IOFMUBSMNIIEDU-JTQLQIEISA-N 0 1 223.291 2.439 20 0 BEADMN Cc1ccc(-c2nnc([C@@H]3C=CCN3)o2)cc1 ZINC001217718013 971359713 /nfs/dbraw/zinc/35/97/13/971359713.db2.gz RJCDUJIGDJPKMO-NSHDSACASA-N 0 1 227.267 2.246 20 0 BEADMN Fc1cccc(-c2nnc([C@@H]3C=CCN3)o2)c1 ZINC001217716871 971355282 /nfs/dbraw/zinc/35/52/82/971355282.db2.gz CRVRBGMUOYUWMC-JTQLQIEISA-N 0 1 231.230 2.076 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217723640 971361937 /nfs/dbraw/zinc/36/19/37/971361937.db2.gz SYGLALPKJVIAIS-XKNYDFJKSA-N 0 1 223.320 2.500 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217732893 971374689 /nfs/dbraw/zinc/37/46/89/971374689.db2.gz JDZWKPFBXBWEGO-VAOFZXAKSA-N 0 1 209.293 2.023 20 0 BEADMN CN[C@H](c1nnc([C@H]2C[C@@H]2C)o1)C(C)(C)C ZINC001217737469 971376939 /nfs/dbraw/zinc/37/69/39/971376939.db2.gz ZETYRVZWGQEZHM-XHNCKOQMSA-N 0 1 223.320 2.500 20 0 BEADMN CC(F)(F)C(C)(C)c1nc([C@@H]2CCCN2)no1 ZINC000406113233 971386151 /nfs/dbraw/zinc/38/61/51/971386151.db2.gz PSQAXGKJBUZROO-ZETCQYMHSA-N 0 1 245.273 2.427 20 0 BEADMN CCCc1nnc(-c2cnc([C@@H](C)N)s2)o1 ZINC001217756457 971387445 /nfs/dbraw/zinc/38/74/45/971387445.db2.gz UOGSGWZARVHOCW-ZCFIWIBFSA-N 0 1 238.316 2.165 20 0 BEADMN CCCCC[C@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001257514892 971435464 /nfs/dbraw/zinc/43/54/64/971435464.db2.gz GSIJXVGFZMRICA-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1c(N)ccnc1-c1cncc(F)c1C ZINC001244831618 971445819 /nfs/dbraw/zinc/44/58/19/971445819.db2.gz PIHARHRMXRNZPL-UHFFFAOYSA-N 0 1 217.247 2.482 20 0 BEADMN Cc1nc[nH]c1-c1nnc(C2CCCC2)o1 ZINC001257558725 971454039 /nfs/dbraw/zinc/45/40/39/971454039.db2.gz BYYWQCHKMPLGKT-UHFFFAOYSA-N 0 1 218.260 2.426 20 0 BEADMN FC1C[C@@H]2COC[C@H](C1)N2[C@H]1CCCSC1 ZINC001257682326 971486185 /nfs/dbraw/zinc/48/61/85/971486185.db2.gz XEFKUWADWNCZFK-HSTDOPHLSA-N 0 1 245.363 2.083 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2cccc([S-])c2)C1 ZINC001226015158 1169599542 /nfs/dbraw/zinc/59/95/42/1169599542.db2.gz GRJCIAUCGLKRNW-NSHDSACASA-N 0 1 223.341 2.448 20 0 BEADMN Cc1nc[nH]c1-c1nnc(CC(C)(C)C)o1 ZINC001257881456 971516105 /nfs/dbraw/zinc/51/61/05/971516105.db2.gz ZRJXKWRRWZPOKL-UHFFFAOYSA-N 0 1 220.276 2.357 20 0 BEADMN CN(CCF)[C@@H]1Cc2cccc(F)c2C1 ZINC001171810573 974204182 /nfs/dbraw/zinc/20/41/82/974204182.db2.gz BHVFZQPNKVCVPX-SNVBAGLBSA-N 0 1 211.255 2.194 20 0 BEADMN c1cc2n(c1)CCN(C1CCC3(COC3)CC1)C2 ZINC001257908324 971536602 /nfs/dbraw/zinc/53/66/02/971536602.db2.gz CTUSMEVLBFWOLT-UHFFFAOYSA-N 0 1 246.354 2.263 20 0 BEADMN FC[C@@H]1C[C@H](F)CN1C1CCC2(COC2)CC1 ZINC001257906364 971537061 /nfs/dbraw/zinc/53/70/61/971537061.db2.gz GBDYDLPUKANREP-JQWIXIFHSA-N 0 1 245.313 2.328 20 0 BEADMN C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789275 949064866 /nfs/dbraw/zinc/06/48/66/949064866.db2.gz SXKKIEYDWYARPW-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN F[C@@H]1C[C@H]1N[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257950206 971546737 /nfs/dbraw/zinc/54/67/37/971546737.db2.gz KHNIJOFZLBWLGI-HBNTYKKESA-N 0 1 241.693 2.344 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C(Cl)=C\Cl ZINC000211343145 949532347 /nfs/dbraw/zinc/53/23/47/949532347.db2.gz ZPVOUTSEFYDNTC-KNIZRNDPSA-N 0 1 226.103 2.100 20 0 BEADMN CCCC[C@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226975442 1169616901 /nfs/dbraw/zinc/61/69/01/1169616901.db2.gz YGRZBGZTVNNBDK-VIFPVBQESA-N 0 1 247.298 2.276 20 0 BEADMN CC(C)C[C@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226973222 1169617267 /nfs/dbraw/zinc/61/72/67/1169617267.db2.gz FQXHYRSTXVWALP-VIFPVBQESA-N 0 1 247.298 2.132 20 0 BEADMN CC[C@@H]([NH2+][C@H](C(=O)[O-])C1CC1)c1nccs1 ZINC000233896535 949806048 /nfs/dbraw/zinc/80/60/48/949806048.db2.gz MIJIJGHJVLSYNV-BDAKNGLRSA-N 0 1 240.328 2.047 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3ncc(F)cn3)C[C@@H]21 ZINC001170709666 971609900 /nfs/dbraw/zinc/60/99/00/971609900.db2.gz CBLGNAXXWZDCCO-RTCCRHLQSA-N 0 1 235.306 2.140 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000379472713 971639820 /nfs/dbraw/zinc/63/98/20/971639820.db2.gz TVMWFNMLCJQROH-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218283731 971676550 /nfs/dbraw/zinc/67/65/50/971676550.db2.gz LWWPVQDDQNCFTC-LLVKDONJSA-N 0 1 249.310 2.116 20 0 BEADMN C[C@@H]1CC(Oc2n[nH]c3c2CNCC3)C[C@@H](C)C1 ZINC001218286991 971681386 /nfs/dbraw/zinc/68/13/86/971681386.db2.gz PJFMPKGNILASPZ-UWVGGRQHSA-N 0 1 249.358 2.259 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2(C)CCC2)[C@@H]1C(=O)[O-] ZINC000309781022 950690971 /nfs/dbraw/zinc/69/09/71/950690971.db2.gz RDEUTMLNIPYFQQ-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218292666 971689159 /nfs/dbraw/zinc/68/91/59/971689159.db2.gz ZRRKVMWRTNHAIT-GIPNMCIBSA-N 0 1 249.358 2.259 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218292667 971690194 /nfs/dbraw/zinc/69/01/94/971690194.db2.gz ZRRKVMWRTNHAIT-NRUUGDAUSA-N 0 1 249.358 2.259 20 0 BEADMN C[C@@H](SCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000318755353 950936343 /nfs/dbraw/zinc/93/63/43/950936343.db2.gz ZRADPBBWVHMDIF-OUAUKWLOSA-N 0 1 245.388 2.171 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2n[nH]c3c2CNCC3)[C@@H]1C ZINC001218353971 971725091 /nfs/dbraw/zinc/72/50/91/971725091.db2.gz YXOFSVLPIFFPFZ-GIPNMCIBSA-N 0 1 249.358 2.259 20 0 BEADMN O=C(NC/C=C\Cl)c1cccc(F)c1O ZINC001134611201 971738175 /nfs/dbraw/zinc/73/81/75/971738175.db2.gz LWGDZLJCPOVITC-DJWKRKHSSA-N 0 1 229.638 2.014 20 0 BEADMN CCCC=Nc1nccc2nccnc21 ZINC001170764136 971751217 /nfs/dbraw/zinc/75/12/17/971751217.db2.gz PNQWYJZQPIZGQC-HWKANZROSA-N 0 1 200.245 2.360 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397487829 951564506 /nfs/dbraw/zinc/56/45/06/951564506.db2.gz JPFHXKHJWFMATO-BXKDBHETSA-N 0 1 237.299 2.273 20 0 BEADMN Cn1ncc2c1CN([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170765911 971758568 /nfs/dbraw/zinc/75/85/68/971758568.db2.gz YHLLEYOFGOSMOC-CLLJXQQHSA-N 0 1 245.370 2.213 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CC(F)(F)C2)C1 ZINC000398760026 951606356 /nfs/dbraw/zinc/60/63/56/951606356.db2.gz BKRJNKZZYWFYDN-WCBMZHEXSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000399995773 951642685 /nfs/dbraw/zinc/64/26/85/951642685.db2.gz KORJVXXYGGFAQI-XVSSEFHLSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1=CCCC1 ZINC000401130368 951659808 /nfs/dbraw/zinc/65/98/08/951659808.db2.gz SMWNJZCHTIGRED-JQWIXIFHSA-N 0 1 223.316 2.282 20 0 BEADMN CCC=CNc1cccc(CN(C)C)n1 ZINC001170768222 971770883 /nfs/dbraw/zinc/77/08/83/971770883.db2.gz UTDTZIWNLKWIDW-WEVVVXLNSA-N 0 1 205.305 2.479 20 0 BEADMN NCc1nc2ccccc2n1[C@@H]1CCCOCC1 ZINC001170771577 971785445 /nfs/dbraw/zinc/78/54/45/971785445.db2.gz VUTXYPWFPALDPJ-LLVKDONJSA-N 0 1 245.326 2.237 20 0 BEADMN CC[N@@H+](Cc1cccc(C(=O)[O-])n1)C(C)(C)C ZINC000382254219 971805419 /nfs/dbraw/zinc/80/54/19/971805419.db2.gz KXBHZBSYFASJDT-UHFFFAOYSA-N 0 1 236.315 2.400 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC2(CCCC2)C1 ZINC000382554892 971822595 /nfs/dbraw/zinc/82/25/95/971822595.db2.gz HZDQTRFCGAYYCS-FLIBITNWSA-N 0 1 223.316 2.283 20 0 BEADMN CC[C@H](C)OCC[C@H](C)NCc1cocn1 ZINC001172323820 974534607 /nfs/dbraw/zinc/53/46/07/974534607.db2.gz DVVXFBZZCGAERK-QWRGUYRKSA-N 0 1 226.320 2.358 20 0 BEADMN CN1CCC12CN(Cc1cccc3occc31)C2 ZINC001276788984 971856379 /nfs/dbraw/zinc/85/63/79/971856379.db2.gz GBMZMZXGWLXHOQ-UHFFFAOYSA-N 0 1 242.322 2.323 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000383618900 971881304 /nfs/dbraw/zinc/88/13/04/971881304.db2.gz QRWIZPJNYLUPHB-GWCFXTLKSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000383828743 971897009 /nfs/dbraw/zinc/89/70/09/971897009.db2.gz IVLIPNLXSLOITJ-JAPXBJLTSA-N 0 1 211.305 2.138 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)Cc1oncc1C(=O)[O-] ZINC000383835135 971897688 /nfs/dbraw/zinc/89/76/88/971897688.db2.gz YJPWLWHDNCFRCG-VIFPVBQESA-N 0 1 240.303 2.383 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])no1 ZINC000384058326 971908992 /nfs/dbraw/zinc/90/89/92/971908992.db2.gz XQMWVDNQIZAPOD-SECBINFHSA-N 0 1 240.303 2.383 20 0 BEADMN C[C@@H]1COCC[C@H]1Nc1ccc2nc[nH]c2c1 ZINC001170827333 971932640 /nfs/dbraw/zinc/93/26/40/971932640.db2.gz ZROCNJVKVYTOJV-MWLCHTKSSA-N 0 1 231.299 2.400 20 0 BEADMN Cc1cccc(C[N@@H+](CC(=O)[O-])C2CC2)c1F ZINC000384629279 971945832 /nfs/dbraw/zinc/94/58/32/971945832.db2.gz JTONFGMTZSAXKS-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN Cn1ccc2nc(-c3c(O)cccc3F)cnc21 ZINC001245653824 971947750 /nfs/dbraw/zinc/94/77/50/971947750.db2.gz ADYBEPHMRXDZBQ-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Cc1nnc(SCC[C@@H](O)c2ccccc2)[nH]1 ZINC000310516711 971975308 /nfs/dbraw/zinc/97/53/08/971975308.db2.gz RWDGEHGYKPAAAU-LLVKDONJSA-N 0 1 249.339 2.329 20 0 BEADMN CCOC1CN([C@@H](C)CCO[C@H](C)CC)C1 ZINC001172341463 974608147 /nfs/dbraw/zinc/60/81/47/974608147.db2.gz UBLMRNCHZZKLOC-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@](N)(CO)Nc1ncc(C)c2ccccc21 ZINC001170860734 971987740 /nfs/dbraw/zinc/98/77/40/971987740.db2.gz WSHHJCCQPJVLDF-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CCc1cccc(CC)c1N[C@@](N)(CC)CO ZINC001170865457 971997243 /nfs/dbraw/zinc/99/72/43/971997243.db2.gz FCGPKCLREJIMGI-AWEZNQCLSA-N 0 1 236.359 2.281 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc(C)c(SC)c1 ZINC001170865650 972006462 /nfs/dbraw/zinc/00/64/62/972006462.db2.gz GWSCFNFIKGIRJD-LBPRGKRZSA-N 0 1 240.372 2.186 20 0 BEADMN CC[C@@](N)(CO)Nc1ccccc1C1CC1 ZINC001170865843 972004884 /nfs/dbraw/zinc/00/48/84/972004884.db2.gz JMGJIMDHIYJKNC-ZDUSSCGKSA-N 0 1 220.316 2.033 20 0 BEADMN c1c[nH]c(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000190687921 972042587 /nfs/dbraw/zinc/04/25/87/972042587.db2.gz KHIYEUAJMONRRI-AWEZNQCLSA-N 0 1 243.310 2.063 20 0 BEADMN CCCc1cnc(C2=CCN(C)CC2)nc1 ZINC001241308845 1169714354 /nfs/dbraw/zinc/71/43/54/1169714354.db2.gz NVTOTYFYSPHUJZ-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCOCC12CC2 ZINC001172350893 974620503 /nfs/dbraw/zinc/62/05/03/974620503.db2.gz ZYUCNKPNZOHERS-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@](N)(CO)Nc1nccc2ccc(C)cc21 ZINC001159744444 972096280 /nfs/dbraw/zinc/09/62/80/972096280.db2.gz VYYOXCQTQNIUQX-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1cccnc1 ZINC001245924649 972101416 /nfs/dbraw/zinc/10/14/16/972101416.db2.gz DWWVFGODNWNOKY-UHFFFAOYSA-N 0 1 215.256 2.240 20 0 BEADMN CSc1ncc(C2=CCCN(C)C2)c(C)n1 ZINC001241571934 1169730704 /nfs/dbraw/zinc/73/07/04/1169730704.db2.gz LRWCDZJASZQBBT-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN CN1CCC=C(c2cnc(OC3CCC3)cn2)C1 ZINC001241571322 1169734809 /nfs/dbraw/zinc/73/48/09/1169734809.db2.gz YGJYWMYJAJGYCE-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN C[C@H](Nc1ncnc2[nH]cnc21)C(C)(C)C ZINC000088346012 956888655 /nfs/dbraw/zinc/88/86/55/956888655.db2.gz SNSSMVGKNSRPNE-ZETCQYMHSA-N 0 1 219.292 2.199 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208162096 957047251 /nfs/dbraw/zinc/04/72/51/957047251.db2.gz PCOPPULYLZLEOM-OLZOCXBDSA-N 0 1 239.359 2.474 20 0 BEADMN Cc1nc(CN2CCCC[C@](C)(O)C2)cs1 ZINC001206799903 957181115 /nfs/dbraw/zinc/18/11/15/957181115.db2.gz SWEIETWAZGTTAS-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN C[N@H+](Cc1ccoc1C(=O)[O-])Cc1cccnc1 ZINC000036771452 957234416 /nfs/dbraw/zinc/23/44/16/957234416.db2.gz LVOYSVBTEGYLKY-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])Cc1cccnc1 ZINC000036771452 957234423 /nfs/dbraw/zinc/23/44/23/957234423.db2.gz LVOYSVBTEGYLKY-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1ccoc1C(=O)[O-] ZINC000036926551 957246371 /nfs/dbraw/zinc/24/63/71/957246371.db2.gz XQTACLQDFJPYNP-UHFFFAOYSA-N 0 1 234.255 2.346 20 0 BEADMN CCC[C@H]1CCCN1C(=O)c1ccc(CN)o1 ZINC000396784936 957252701 /nfs/dbraw/zinc/25/27/01/957252701.db2.gz QCDCPQBNTRQGFX-JTQLQIEISA-N 0 1 236.315 2.143 20 0 BEADMN Cc1nc2ccc(F)cn2c1NC1=CCOC1 ZINC001203386544 957325208 /nfs/dbraw/zinc/32/52/08/957325208.db2.gz NEBNABLGCSMYTE-UHFFFAOYSA-N 0 1 233.246 2.108 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2ccncc2)C1 ZINC001209426565 957446931 /nfs/dbraw/zinc/44/69/31/957446931.db2.gz DPSRFOWJZPYNNK-KWCYVHTRSA-N 0 1 232.327 2.111 20 0 BEADMN CSc1ncc2c(n1)CN(C[C@@H]1C[C@@H]1C)CC2 ZINC001209433546 957467104 /nfs/dbraw/zinc/46/71/04/957467104.db2.gz UXNOPEBQZUXMCH-ONGXEEELSA-N 0 1 249.383 2.213 20 0 BEADMN c1ncc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC001136866501 972280162 /nfs/dbraw/zinc/28/01/62/972280162.db2.gz XOKIPPYIBRAIDR-WDEREUQCSA-N 0 1 205.305 2.032 20 0 BEADMN CC[N@@H+](CCOCCC(C)C)C(C)(C)C(=O)[O-] ZINC000061174592 957576980 /nfs/dbraw/zinc/57/69/80/957576980.db2.gz JPAUCTIXMVQOLE-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CC[N@@H+](CC1CCCC1)C(C)(C)C(=O)[O-] ZINC000061174503 957577243 /nfs/dbraw/zinc/57/72/43/957577243.db2.gz WQBGSSUJVQTORG-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cnc(N)cc2C)on1 ZINC001209962236 957586011 /nfs/dbraw/zinc/58/60/11/957586011.db2.gz SXAHGXRHTDVOJH-VIFPVBQESA-N 0 1 246.314 2.312 20 0 BEADMN Cc1cc(N)ncc1Nc1cccn2ccnc12 ZINC001209968736 957590552 /nfs/dbraw/zinc/59/05/52/957590552.db2.gz XQDNTYLQSZQVFD-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1cc(N)ncc1N(C)c1ccccc1N ZINC001209967372 957591219 /nfs/dbraw/zinc/59/12/19/957591219.db2.gz NZVUZLTXCKIZSZ-UHFFFAOYSA-N 0 1 228.299 2.322 20 0 BEADMN COc1cc(N)ccc1Nc1cnc(N)cc1C ZINC001209969591 957591247 /nfs/dbraw/zinc/59/12/47/957591247.db2.gz MSXSLFPTTRKFOD-UHFFFAOYSA-N 0 1 244.298 2.307 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCc1cncnc1 ZINC001167261506 957603654 /nfs/dbraw/zinc/60/36/54/957603654.db2.gz XAHUWUXTWXYDIF-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCCCOC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000175802027 957641539 /nfs/dbraw/zinc/64/15/39/957641539.db2.gz VRBUZLVCBWITIK-BETUJISGSA-N 0 1 239.359 2.452 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCCCCF ZINC000390446744 972285227 /nfs/dbraw/zinc/28/52/27/972285227.db2.gz SJJPTJXFXVWRQT-NSHDSACASA-N 0 1 231.311 2.455 20 0 BEADMN CC(C)n1ccc(Nc2ccncc2)n1 ZINC001210336287 957725687 /nfs/dbraw/zinc/72/56/87/957725687.db2.gz OHXZUYOBSSHQKP-UHFFFAOYSA-N 0 1 202.261 2.025 20 0 BEADMN CCN(Cc1cnc[nH]1)Cc1cccc(OC)c1 ZINC001136871731 972287987 /nfs/dbraw/zinc/28/79/87/972287987.db2.gz FPNLONLAXUPFJS-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cncc(F)c3)C[C@@H]12 ZINC001207026287 957781344 /nfs/dbraw/zinc/78/13/44/957781344.db2.gz HYORNVGXRNXAHO-DGCLKSJQSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1nc2cc(NC3CC(=O)C3)ccc2[nH]1 ZINC001167340888 957798511 /nfs/dbraw/zinc/79/85/11/957798511.db2.gz LFBMAOOPPJNZLH-UHFFFAOYSA-N 0 1 215.256 2.015 20 0 BEADMN Cc1cn(Cc2ccc(C(=O)[O-])cc2)c(C)[nH+]1 ZINC000082656627 957799324 /nfs/dbraw/zinc/79/93/24/957799324.db2.gz MHDWMIXWUYWRGU-UHFFFAOYSA-N 0 1 230.267 2.246 20 0 BEADMN Cc1nnc(Nc2cncc(N3CCCC3)c2)o1 ZINC001210605641 957828687 /nfs/dbraw/zinc/82/86/87/957828687.db2.gz MJQAQHUYOFLGTJ-UHFFFAOYSA-N 0 1 245.286 2.117 20 0 BEADMN CC(C)[N@@H+](CCCC(=O)[O-])CC1CCC1 ZINC000083839755 957833790 /nfs/dbraw/zinc/83/37/90/957833790.db2.gz RRYNZHMLPVOXBS-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCC(F)(F)F)CC1(CC(=O)[O-])CC1 ZINC000083890754 957840247 /nfs/dbraw/zinc/84/02/47/957840247.db2.gz AUWKISLRGVSECT-UHFFFAOYSA-N 0 1 239.237 2.126 20 0 BEADMN COC(=O)c1occc1CN[C@@]12C[C@@H]1CCCC2 ZINC000693188214 957845147 /nfs/dbraw/zinc/84/51/47/957845147.db2.gz PIMNAKUAVALQLO-FZMZJTMJSA-N 0 1 249.310 2.489 20 0 BEADMN CC=C(C)Nc1cccc(C(=O)OC)n1 ZINC001210792380 957883417 /nfs/dbraw/zinc/88/34/17/957883417.db2.gz MTCVVVYZFYBNGP-XBXARRHUSA-N 0 1 206.245 2.204 20 0 BEADMN Cc1cccn2c(C[N@@H+]3CC[C@H]3C)cnc12 ZINC001136958554 972304091 /nfs/dbraw/zinc/30/40/91/972304091.db2.gz VILDMQNOZQCGEO-LLVKDONJSA-N 0 1 215.300 2.237 20 0 BEADMN Cc1cccn2c(CN3CC[C@H]3C)cnc12 ZINC001136958554 972304095 /nfs/dbraw/zinc/30/40/95/972304095.db2.gz VILDMQNOZQCGEO-LLVKDONJSA-N 0 1 215.300 2.237 20 0 BEADMN CCCn1nccc1Nc1cnc(C)n1C ZINC001210916566 957934974 /nfs/dbraw/zinc/93/49/74/957934974.db2.gz UOWCYQVKHMEKEX-UHFFFAOYSA-N 0 1 219.292 2.079 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccccn1 ZINC000087591515 958018617 /nfs/dbraw/zinc/01/86/17/958018617.db2.gz DGDYDYWEGHZAME-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN CC(C)N(C)Cc1nc2ccccc2[nH]1 ZINC000198000576 958036423 /nfs/dbraw/zinc/03/64/23/958036423.db2.gz CKJQWCHKZMHKHS-UHFFFAOYSA-N 0 1 203.289 2.403 20 0 BEADMN CSCCN(C)Cc1c(N)cccc1F ZINC000167316732 958043483 /nfs/dbraw/zinc/04/34/83/958043483.db2.gz VDWZSMTYAXZYFW-UHFFFAOYSA-N 0 1 228.336 2.203 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC2CCC1CC2 ZINC001140276600 958054986 /nfs/dbraw/zinc/05/49/86/958054986.db2.gz HLQGVIBRFMPXIW-UHFFFAOYSA-N 0 1 218.300 2.162 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccncc1[O-] ZINC001140277471 958060503 /nfs/dbraw/zinc/06/05/03/958060503.db2.gz APXFZBCJXAOUDI-LLVKDONJSA-N 0 1 206.289 2.162 20 0 BEADMN Cn1cncc1Nc1cnc2c(c1)CCCC2 ZINC001211246910 958106553 /nfs/dbraw/zinc/10/65/53/958106553.db2.gz YCKJDOGTHAODCZ-UHFFFAOYSA-N 0 1 228.299 2.438 20 0 BEADMN C[C@@H]1CCc2cc(N)ccc2N1c1cncn1C ZINC001211248758 958109395 /nfs/dbraw/zinc/10/93/95/958109395.db2.gz DWTOPVFIPMIQJT-SNVBAGLBSA-N 0 1 242.326 2.475 20 0 BEADMN Cn1cncc1Nc1ccc(N)cc1Cl ZINC001211250448 958113260 /nfs/dbraw/zinc/11/32/60/958113260.db2.gz KNYAYLNUFAGFRZ-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN Cc1nc2c(Nc3cncn3C)cccn2c1C ZINC001211249179 958113690 /nfs/dbraw/zinc/11/36/90/958113690.db2.gz ZTDLHRKQYQJSJD-UHFFFAOYSA-N 0 1 241.298 2.428 20 0 BEADMN COC(=O)c1cc(Nc2cncn2C)ccc1C ZINC001211250205 958114698 /nfs/dbraw/zinc/11/46/98/958114698.db2.gz IOEIBFFIQNXEPO-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN CCc1ncsc1Nc1cncn1C ZINC001211248101 958116954 /nfs/dbraw/zinc/11/69/54/958116954.db2.gz JFZFYDOVCWIPDT-UHFFFAOYSA-N 0 1 208.290 2.183 20 0 BEADMN Cn1cncc1-n1ccc2c1cc(F)cc2N ZINC001211251750 958118577 /nfs/dbraw/zinc/11/85/77/958118577.db2.gz OITPTSCQBLXZIS-UHFFFAOYSA-N 0 1 230.246 2.085 20 0 BEADMN Cc1ccc(N)c(N(C)c2cncn2C)c1 ZINC001211251522 958120256 /nfs/dbraw/zinc/12/02/56/958120256.db2.gz IRPMHMMNKADBQZ-UHFFFAOYSA-N 0 1 216.288 2.079 20 0 BEADMN COc1cnccc1Nc1ccc(O)c(F)c1 ZINC001211260033 958129253 /nfs/dbraw/zinc/12/92/53/958129253.db2.gz GVPZBKKXYBXMCO-UHFFFAOYSA-N 0 1 234.230 2.100 20 0 BEADMN C[C@H]1C[C@@H](NCCOC2CCC2)c2nccn21 ZINC000690706112 958212101 /nfs/dbraw/zinc/21/21/01/958212101.db2.gz UROXKDTWVMKHNN-CMPLNLGQSA-N 0 1 235.331 2.048 20 0 BEADMN C[N@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762185 958307426 /nfs/dbraw/zinc/30/74/26/958307426.db2.gz ISBZHMWERIGJOT-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762185 958307438 /nfs/dbraw/zinc/30/74/38/958307438.db2.gz ISBZHMWERIGJOT-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN Cc1cccc(C[N@H+](C)CC2(CC(=O)[O-])CC2)n1 ZINC000094928224 958321947 /nfs/dbraw/zinc/32/19/47/958321947.db2.gz YXRUHKBVBCBTRE-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN N[C@@H](C(=O)N1CCC12CCCC2)c1ccccc1 ZINC000707234810 958419055 /nfs/dbraw/zinc/41/90/55/958419055.db2.gz MLXOSFNJCLZXJU-CYBMUJFWSA-N 0 1 244.338 2.232 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC23CCCC3)o1 ZINC000707351915 958478507 /nfs/dbraw/zinc/47/85/07/958478507.db2.gz ODODEAFIXKWZLK-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN C[C@H](CN1CC[C@@]12CCOC2)C(F)(F)F ZINC000421013260 972354839 /nfs/dbraw/zinc/35/48/39/972354839.db2.gz GGYHIFLVRNJKTQ-BDAKNGLRSA-N 0 1 223.238 2.050 20 0 BEADMN C[N@H+]1CCC[C@H](OCC(=O)c2cccs2)C1 ZINC001222082213 972361742 /nfs/dbraw/zinc/36/17/42/972361742.db2.gz QPRYGWGIMRBIOR-JTQLQIEISA-N 0 1 239.340 2.042 20 0 BEADMN CN1CCC[C@H](OCC(=O)c2cccs2)C1 ZINC001222082213 972361763 /nfs/dbraw/zinc/36/17/63/972361763.db2.gz QPRYGWGIMRBIOR-JTQLQIEISA-N 0 1 239.340 2.042 20 0 BEADMN Cc1c(F)cncc1Nc1ccnc(CO)c1 ZINC001216192307 958686879 /nfs/dbraw/zinc/68/68/79/958686879.db2.gz QTXVCHCMSWDBCI-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN OC[C@H]1CCN(Cc2csc(Cl)c2)C1 ZINC000306729196 958821133 /nfs/dbraw/zinc/82/11/33/958821133.db2.gz CTPWXEPTUUDXNV-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN Cc1ccnc(CN[C@H](C)CC2CC2)n1 ZINC000707945953 958863658 /nfs/dbraw/zinc/86/36/58/958863658.db2.gz XSKMMFYAGZGKRX-SNVBAGLBSA-N 0 1 205.305 2.063 20 0 BEADMN CN(Cc1ncccn1)C[C@H]1CCOC(C)(C)C1 ZINC001207352583 959212452 /nfs/dbraw/zinc/21/24/52/959212452.db2.gz IMLJPQQMSBSZCB-LBPRGKRZSA-N 0 1 249.358 2.114 20 0 BEADMN Cc1nnc([C@@H](C)NC2CC(C)C2)s1 ZINC000307444875 959217731 /nfs/dbraw/zinc/21/77/31/959217731.db2.gz BZYMLJFRWYYHNH-KDIYEYIXSA-N 0 1 211.334 2.296 20 0 BEADMN Fc1ccccc1[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001203206765 959393239 /nfs/dbraw/zinc/39/32/39/959393239.db2.gz WYZVXKLFWLPLIX-ZDUSSCGKSA-N 0 1 246.289 2.281 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2=C(C)CCC2)n[nH]1 ZINC001327132752 972428638 /nfs/dbraw/zinc/42/86/38/972428638.db2.gz DEOHVTYBSPJVTK-SECBINFHSA-N 0 1 249.314 2.472 20 0 BEADMN CCCC[C@@H](C)N(C)CC(=O)OC(C)C ZINC000308856466 959526399 /nfs/dbraw/zinc/52/63/99/959526399.db2.gz OGAXHGDZDYSXAD-LLVKDONJSA-N 0 1 215.337 2.449 20 0 BEADMN c1ccc([C@H]2C[C@@H]2c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217695790 959555907 /nfs/dbraw/zinc/55/59/07/959555907.db2.gz XLJIRKRVNXRNSL-WOPDTQHZSA-N 0 1 241.294 2.375 20 0 BEADMN CCCc1nnc([C@@H]2NCCC[C@@H]2C)o1 ZINC001217702486 959560707 /nfs/dbraw/zinc/56/07/07/959560707.db2.gz KTPWEDQSYRMOGL-WCBMZHEXSA-N 0 1 209.293 2.083 20 0 BEADMN Cc1nccnc1-c1cc(F)c(O)c(F)c1 ZINC001244093505 1169768291 /nfs/dbraw/zinc/76/82/91/1169768291.db2.gz YYXDCLAQRLCRJI-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Oc1c(F)cc(-c2cccnn2)cc1F ZINC001244093455 1169768309 /nfs/dbraw/zinc/76/83/09/1169768309.db2.gz XFUBQAVZPCUCIB-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN FC1(F)CC2(CN(Cc3cc[nH]c3)C2)C1 ZINC001140704951 959661240 /nfs/dbraw/zinc/66/12/40/959661240.db2.gz QQPZGPCMYPVDGX-UHFFFAOYSA-N 0 1 212.243 2.246 20 0 BEADMN CCC(=O)C(=O)NCCP(C(C)C)C(C)C ZINC001143972384 972448281 /nfs/dbraw/zinc/44/82/81/972448281.db2.gz DIMNFWAJJMVUSB-UHFFFAOYSA-N 0 1 245.303 2.380 20 0 BEADMN Cc1cnc2c(c1)CN(Cc1cc[nH]c1)CC2 ZINC001140707874 959682005 /nfs/dbraw/zinc/68/20/05/959682005.db2.gz GNQPXLVMGKFZNA-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN COCOc1ccc(Nc2ccncc2)cc1 ZINC001211628573 959697831 /nfs/dbraw/zinc/69/78/31/959697831.db2.gz BLLFMJBNZILMSI-UHFFFAOYSA-N 0 1 230.267 2.230 20 0 BEADMN C[C@@H](C(=O)[O-])N(C)c1cc(C(C)(C)C)cc[nH+]1 ZINC000212973338 959717191 /nfs/dbraw/zinc/71/71/91/959717191.db2.gz BDVKJPMAHPWWLZ-VIFPVBQESA-N 0 1 236.315 2.288 20 0 BEADMN COc1ccc([C@@H](C)N(C)Cc2c[nH]nn2)cc1 ZINC001203207669 959729158 /nfs/dbraw/zinc/72/91/58/959729158.db2.gz NPTSZEUNTVGUGR-SNVBAGLBSA-N 0 1 246.314 2.006 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000215681384 959757141 /nfs/dbraw/zinc/75/71/41/959757141.db2.gz CHNRUCXFGNPJOT-MHTFJADPSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H](NCc1cnn(C)c1C1CC1)c1ccc[nH]1 ZINC001352010223 959778761 /nfs/dbraw/zinc/77/87/61/959778761.db2.gz AATDRSGVVGPTSD-JTQLQIEISA-N 0 1 244.342 2.476 20 0 BEADMN CCC(CC)NCc1nc(C(F)F)no1 ZINC001352080106 959799085 /nfs/dbraw/zinc/79/90/85/959799085.db2.gz VDIXKMDBSKJZBB-UHFFFAOYSA-N 0 1 219.235 2.285 20 0 BEADMN Cc1ccnc(NCCOC(F)(F)F)c1 ZINC000309218348 959801814 /nfs/dbraw/zinc/80/18/14/959801814.db2.gz USBGWDHBAMYAQD-UHFFFAOYSA-N 0 1 220.194 2.338 20 0 BEADMN C[C@@H]1CN(CC=C(Cl)Cl)C[C@]1(C)CO ZINC000694654210 959948342 /nfs/dbraw/zinc/94/83/42/959948342.db2.gz KVWBOBDUGZCMCA-PSASIEDQSA-N 0 1 238.158 2.256 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CCC(F)F)n[nH]1 ZINC001327161945 972468679 /nfs/dbraw/zinc/46/86/79/972468679.db2.gz OGLBLVPJYGZWEV-LURJTMIESA-N 0 1 247.245 2.017 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC000695068426 960080972 /nfs/dbraw/zinc/08/09/72/960080972.db2.gz FZPFDKZGGLYSMJ-JTQLQIEISA-N 0 1 242.344 2.074 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC000695068426 960080980 /nfs/dbraw/zinc/08/09/80/960080980.db2.gz FZPFDKZGGLYSMJ-JTQLQIEISA-N 0 1 242.344 2.074 20 0 BEADMN FC1(F)CCCN(Cc2cnco2)CC1 ZINC001140927125 960085927 /nfs/dbraw/zinc/08/59/27/960085927.db2.gz GHOUEXFQKKMDFG-UHFFFAOYSA-N 0 1 216.231 2.296 20 0 BEADMN Cc1cc(CNCc2cccnc2Cl)n[nH]1 ZINC000309721428 960088643 /nfs/dbraw/zinc/08/86/43/960088643.db2.gz WCTITKHRJHKKKL-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN CSC1CCN(Cc2cnco2)CC1 ZINC001140931322 960089048 /nfs/dbraw/zinc/08/90/48/960089048.db2.gz FHWNHAPHVVUNCC-UHFFFAOYSA-N 0 1 212.318 2.002 20 0 BEADMN c1c[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000709059193 960241926 /nfs/dbraw/zinc/24/19/26/960241926.db2.gz HNWOITQOAYVJBX-RYUDHWBXSA-N 0 1 219.332 2.422 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000232829854 960300104 /nfs/dbraw/zinc/30/01/04/960300104.db2.gz UNSSHXCXZVCJRZ-UHFFFAOYSA-N 0 1 236.315 2.400 20 0 BEADMN CC/C(C)=C\C(=O)N(C)CCCN(C)CCF ZINC001327201630 972495059 /nfs/dbraw/zinc/49/50/59/972495059.db2.gz SACVDPGVZBYBTA-QXMHVHEDSA-N 0 1 244.354 2.093 20 0 BEADMN CC(C)(CCO)Nc1ccncc1C(F)(F)F ZINC001167739086 960357058 /nfs/dbraw/zinc/35/70/58/960357058.db2.gz DPILWWKUVRWVAK-UHFFFAOYSA-N 0 1 248.248 2.095 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001140590132 960444539 /nfs/dbraw/zinc/44/45/39/960444539.db2.gz XSVKJDXWYTWFFV-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN COc1ccc(CN2CCCC23COC3)c(C)c1 ZINC001140678113 960483683 /nfs/dbraw/zinc/48/36/83/960483683.db2.gz PPGVWJFAJCNISP-UHFFFAOYSA-N 0 1 247.338 2.368 20 0 BEADMN FC1(F)CCN(Cc2cc[nH]c2)CC1 ZINC001140704467 960508903 /nfs/dbraw/zinc/50/89/03/960508903.db2.gz RNCNKFPXTJQJSD-UHFFFAOYSA-N 0 1 200.232 2.246 20 0 BEADMN O=C1CCN(Cc2cc[nH]c2)[C@@H]2CCCC[C@@H]12 ZINC001140704953 960510722 /nfs/dbraw/zinc/51/07/22/960510722.db2.gz QXBUJGGDMCPCIK-CHWSQXEVSA-N 0 1 232.327 2.348 20 0 BEADMN Cc1nc(N=CCC(C)(C)O)sc1C ZINC001203210002 960555736 /nfs/dbraw/zinc/55/57/36/960555736.db2.gz QUECJKIIEWZLBX-AATRIKPKSA-N 0 1 212.318 2.456 20 0 BEADMN CCCN(C)Cc1c(OC)cc(O)cc1OC ZINC001140769126 960561954 /nfs/dbraw/zinc/56/19/54/960561954.db2.gz DOOPTJFLSZAKQG-UHFFFAOYSA-N 0 1 239.315 2.251 20 0 BEADMN Cc1cc(CN2CCc3ccccc3C2)n[nH]1 ZINC001203067616 960592169 /nfs/dbraw/zinc/59/21/69/960592169.db2.gz QMVIKANRPQEUJG-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN CN(Cc1ccon1)Cc1c[nH]c2ccncc12 ZINC001140805259 960601809 /nfs/dbraw/zinc/60/18/09/960601809.db2.gz YMIHICTUSNRCMX-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CC(C)OC1CN(Cc2c[nH]c3ccncc23)C1 ZINC001140806226 960606503 /nfs/dbraw/zinc/60/65/03/960606503.db2.gz YNCNGOIGLUTIAI-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1cc(CN2CC(F)(F)C[C@]2(C)CF)n[nH]1 ZINC001203069706 960614457 /nfs/dbraw/zinc/61/44/57/960614457.db2.gz BANVADSXPBXCJM-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Cc1cc(CN2CC[C@@H](CF)C(F)(F)C2)n[nH]1 ZINC001203070352 960626438 /nfs/dbraw/zinc/62/64/38/960626438.db2.gz PMPOQNAKHRLIET-VIFPVBQESA-N 0 1 247.264 2.145 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2ccncc2)n[nH]1 ZINC001203076236 960678036 /nfs/dbraw/zinc/67/80/36/960678036.db2.gz ZPARPQBUVYTXTH-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cc(CN(C)Cc2ccccc2F)n[nH]1 ZINC001203076865 960690486 /nfs/dbraw/zinc/69/04/86/960690486.db2.gz KQDFIHFWNDHLAM-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN c1ncc(CN2CC[C@H](c3ccccn3)C2)o1 ZINC001140931714 960699162 /nfs/dbraw/zinc/69/91/62/960699162.db2.gz QNDSJSDFCQQUHC-NSHDSACASA-N 0 1 229.283 2.059 20 0 BEADMN FC1(F)C[C@H]2CN(Cc3cnco3)C[C@H]2C1 ZINC001140928937 960703305 /nfs/dbraw/zinc/70/33/05/960703305.db2.gz XCBSKOKZLDTVDF-DTORHVGOSA-N 0 1 228.242 2.152 20 0 BEADMN C[C@@]1(CF)CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944102 960735174 /nfs/dbraw/zinc/73/51/74/960735174.db2.gz QDWRKGGKRIMTEA-LBPRGKRZSA-N 0 1 241.262 2.159 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H](F)C2)o1 ZINC001140943786 960737377 /nfs/dbraw/zinc/73/73/77/960737377.db2.gz BZHGSMXXBFTZSZ-VIFPVBQESA-N 0 1 241.262 2.302 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H](F)C2)o1 ZINC001140943786 960737392 /nfs/dbraw/zinc/73/73/92/960737392.db2.gz BZHGSMXXBFTZSZ-VIFPVBQESA-N 0 1 241.262 2.302 20 0 BEADMN Cc1cc(CNc2ccc3nc[nH]c3c2)nn1C ZINC001167771370 960750000 /nfs/dbraw/zinc/75/00/00/960750000.db2.gz PJDHZESITZZVAX-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ncco1 ZINC001141007579 960808661 /nfs/dbraw/zinc/80/86/61/960808661.db2.gz RYTWMWMDDNLYLH-SNVBAGLBSA-N 0 1 224.304 2.064 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1ncco1 ZINC001141007579 960808662 /nfs/dbraw/zinc/80/86/62/960808662.db2.gz RYTWMWMDDNLYLH-SNVBAGLBSA-N 0 1 224.304 2.064 20 0 BEADMN Cc1ccncc1CN1CCc2ncccc2C1 ZINC001141035064 960826489 /nfs/dbraw/zinc/82/64/89/960826489.db2.gz BPAOSTIKZFTKMO-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CCCCc1ncc(CN2CCC[C@H]2C(C)=O)[nH]1 ZINC001141075068 960860006 /nfs/dbraw/zinc/86/00/06/960860006.db2.gz XOVCUHJBLMOBLX-ZDUSSCGKSA-N 0 1 249.358 2.306 20 0 BEADMN CCCCc1ncc(CN(C)CCF)[nH]1 ZINC001141074443 960861193 /nfs/dbraw/zinc/86/11/93/960861193.db2.gz HQYZOJQMHFSNAJ-UHFFFAOYSA-N 0 1 213.300 2.154 20 0 BEADMN c1nc(CN2CC[C@@H]3CCC[C@H]3C2)co1 ZINC001141126846 960877419 /nfs/dbraw/zinc/87/74/19/960877419.db2.gz XEUVQJBQRMHEPT-QWRGUYRKSA-N 0 1 206.289 2.297 20 0 BEADMN CC(C)N(Cc1cocn1)C1CCOCC1 ZINC001141131274 960879697 /nfs/dbraw/zinc/87/96/97/960879697.db2.gz BDLGMHQPZUAVII-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](OCc3cnc[nH]3)C[C@@H]21 ZINC001223007850 960901908 /nfs/dbraw/zinc/90/19/08/960901908.db2.gz PSAZARJKRARWDT-RTCCRHLQSA-N 0 1 206.289 2.361 20 0 BEADMN CCc1ccccc1CN1C[C@H](F)[C@@H](OC)C1 ZINC001141224265 960963411 /nfs/dbraw/zinc/96/34/11/960963411.db2.gz LYJBRLJUJQSOIL-KBPBESRZSA-N 0 1 237.318 2.418 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccc2[nH]ccc2c1 ZINC001141393529 961057791 /nfs/dbraw/zinc/05/77/91/961057791.db2.gz LTTUEFQIZMVTIP-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cn2c(n1)COCC2 ZINC001141533546 961097292 /nfs/dbraw/zinc/09/72/92/961097292.db2.gz VHWGCGVKBDTQHN-NWDGAFQWSA-N 0 1 249.358 2.034 20 0 BEADMN CC[C@H]1CCCN(Cc2cn3c(n2)COCC3)C1 ZINC001141537255 961109225 /nfs/dbraw/zinc/10/92/25/961109225.db2.gz MTIBKXQUDWNAEL-LBPRGKRZSA-N 0 1 249.358 2.035 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)c(O)c1 ZINC001211695672 961109495 /nfs/dbraw/zinc/10/94/95/961109495.db2.gz OPHABPBVWPQKRM-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC2(C)CC2)C1 ZINC000687301459 961287685 /nfs/dbraw/zinc/28/76/85/961287685.db2.gz ANJPNPZTVPLECB-CYBMUJFWSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cc(CN2CCCC[C@H]2COC)on1 ZINC001203211414 961308255 /nfs/dbraw/zinc/30/82/55/961308255.db2.gz BVYFHQBGQBIUKF-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1ccccc1CC[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000259034739 961372190 /nfs/dbraw/zinc/37/21/90/961372190.db2.gz ZYCCKPUXMAONRD-UHFFFAOYSA-N 0 1 247.338 2.334 20 0 BEADMN COCOCCc1nc2ccc(C)c(C)c2[nH]1 ZINC001250591447 1169788048 /nfs/dbraw/zinc/78/80/48/1169788048.db2.gz MYYKLFHOBPLZME-UHFFFAOYSA-N 0 1 234.299 2.343 20 0 BEADMN CNc1nc(Cl)ncc1CN(C)CC1CC1 ZINC001142478032 961455978 /nfs/dbraw/zinc/45/59/78/961455978.db2.gz PVXSOWJTIHQFCU-UHFFFAOYSA-N 0 1 240.738 2.014 20 0 BEADMN CN(C)c1cc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC001142542141 961480401 /nfs/dbraw/zinc/48/04/01/961480401.db2.gz NMWSEVYWLQKGSH-CYBMUJFWSA-N 0 1 248.330 2.161 20 0 BEADMN CN(C)c1cc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC001142542142 961481663 /nfs/dbraw/zinc/48/16/63/961481663.db2.gz NMWSEVYWLQKGSH-ZDUSSCGKSA-N 0 1 248.330 2.161 20 0 BEADMN CC1(C)CN(Cc2cccc3[nH]cnc32)CCO1 ZINC001142672775 961580841 /nfs/dbraw/zinc/58/08/41/961580841.db2.gz LXSFTSTXUMDVJC-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN Clc1cnc(CN[C@H]2C[C@H]3C[C@H]3C2)nc1 ZINC001167900899 961594343 /nfs/dbraw/zinc/59/43/43/961594343.db2.gz BPHZTOBPVDDIEL-MBTKJCJQSA-N 0 1 223.707 2.018 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C3CC3)cc(F)c12 ZINC001142679843 961603743 /nfs/dbraw/zinc/60/37/43/961603743.db2.gz POCAHCCKWUOOSG-UHFFFAOYSA-N 0 1 233.246 2.359 20 0 BEADMN Cc1ncc(C2CC2)cc1-n1cncc1N ZINC001213495153 961699187 /nfs/dbraw/zinc/69/91/87/961699187.db2.gz SVDBMJGJQBZYAU-UHFFFAOYSA-N 0 1 214.272 2.035 20 0 BEADMN O=C(NCc1ccc2ocnc2c1)C(F)(F)F ZINC001142770696 961724889 /nfs/dbraw/zinc/72/48/89/961724889.db2.gz JIPKEMDVEUSOOI-UHFFFAOYSA-N 0 1 244.172 2.006 20 0 BEADMN CC(C)(C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001142776396 961735498 /nfs/dbraw/zinc/73/54/98/961735498.db2.gz ISRDDEWFPFZKFF-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN CCCNc1cc(C)nc(NCCC)n1 ZINC000087806652 961756005 /nfs/dbraw/zinc/75/60/05/961756005.db2.gz IAZDPUSCNZMCSM-UHFFFAOYSA-N 0 1 208.309 2.429 20 0 BEADMN COc1c(F)cccc1CN(C)[C@@H]1CCOC1 ZINC001143532787 961791667 /nfs/dbraw/zinc/79/16/67/961791667.db2.gz LKWDYARRYOQZTJ-LLVKDONJSA-N 0 1 239.290 2.055 20 0 BEADMN F[C@@H]1CN(Cc2cccc3nonc32)C[C@@H]2C[C@@H]21 ZINC001203127366 961857439 /nfs/dbraw/zinc/85/74/39/961857439.db2.gz KDEVQJHMALJUMR-GARJFASQSA-N 0 1 247.273 2.013 20 0 BEADMN CC1(C)CN(Cc2ccc3nccn3c2)C1 ZINC001143018096 961866523 /nfs/dbraw/zinc/86/65/23/961866523.db2.gz FCFZNOFGKFYMMX-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN C[N@H+](Cc1cc2c(cn1)OCCO2)CC1CCC1 ZINC001143064422 961877981 /nfs/dbraw/zinc/87/79/81/961877981.db2.gz WUWNKEQKXNWAAA-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Fc1ccc(C2(N[C@@H]3C[C@H]4C[C@H]4C3)COC2)cc1 ZINC001167918551 961905690 /nfs/dbraw/zinc/90/56/90/961905690.db2.gz WFVLXNZGQKDUKN-GNXNZQSNSA-N 0 1 247.313 2.439 20 0 BEADMN Cn1cc(Nc2ccc(Cl)c(O)c2F)nn1 ZINC001214796229 962145661 /nfs/dbraw/zinc/14/56/61/962145661.db2.gz KKNBUUSXHXGKIW-UHFFFAOYSA-N 0 1 242.641 2.057 20 0 BEADMN CCCCOC1CN([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167941246 962183916 /nfs/dbraw/zinc/18/39/16/962183916.db2.gz VWGYPHSRCDLZGS-ZSBIGDGJSA-N 0 1 209.333 2.286 20 0 BEADMN C[C@@H](CC1CCC1)Nc1ccnc(N)n1 ZINC000710312694 962367140 /nfs/dbraw/zinc/36/71/40/962367140.db2.gz FOWNBTSIKKFPPJ-QMMMGPOBSA-N 0 1 206.293 2.049 20 0 BEADMN CC[C@H](F)CN(CC)[C@H](C)CNC(=O)C(C)C ZINC001151992552 962367315 /nfs/dbraw/zinc/36/73/15/962367315.db2.gz XRCWDBRIFMZYPG-NEPJUHHUSA-N 0 1 246.370 2.217 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(O)cn1 ZINC000132748019 962476993 /nfs/dbraw/zinc/47/69/93/962476993.db2.gz GOBBCFIEXRTSAO-CYBMUJFWSA-N 0 1 220.316 2.408 20 0 BEADMN COc1cccnc1CN(C)CC1CCC1 ZINC001206644546 962499505 /nfs/dbraw/zinc/49/95/05/962499505.db2.gz OHQWYDBHWNHBED-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CC[N@@H+](CCOC)Cc1cc(F)c([O-])c(F)c1 ZINC000133263879 962587985 /nfs/dbraw/zinc/58/79/85/962587985.db2.gz NSFZOSYMWXUYED-UHFFFAOYSA-N 0 1 245.269 2.139 20 0 BEADMN COc1cccnc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001206650397 962638361 /nfs/dbraw/zinc/63/83/61/962638361.db2.gz JAQXDUZLVSBGEN-DCAQKATOSA-N 0 1 236.290 2.023 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@H]2C=CCC2)cc1 ZINC000711736720 962755674 /nfs/dbraw/zinc/75/56/74/962755674.db2.gz MFDXFHOADUXWFD-GXTWGEPZSA-N 0 1 244.338 2.077 20 0 BEADMN CCCONC(=O)[C@@H]1CSc2ccccc21 ZINC000686761680 962757668 /nfs/dbraw/zinc/75/76/68/962757668.db2.gz AWPQSSNJJQTOIO-SNVBAGLBSA-N 0 1 237.324 2.334 20 0 BEADMN c1cc([C@H]2CN([C@@H]3C[C@H]4C[C@H]4C3)CCO2)ccn1 ZINC001167958290 962823393 /nfs/dbraw/zinc/82/33/93/962823393.db2.gz ZETUOOJFZOKTJM-LXTVHRRPSA-N 0 1 244.338 2.253 20 0 BEADMN Cc1cc(CCC(=O)NC2(C3CC3)CCC2)n[nH]1 ZINC001154761599 962843808 /nfs/dbraw/zinc/84/38/08/962843808.db2.gz MBVWBXXLRUHCNP-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN Cc1nc2c(o1)CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167960477 962855732 /nfs/dbraw/zinc/85/57/32/962855732.db2.gz ZGHBNAFWWZKTJE-JGPRNRPPSA-N 0 1 218.300 2.140 20 0 BEADMN c1cnnc(CNc2ccc3c(n2)CCCC3)c1 ZINC000712363668 962872567 /nfs/dbraw/zinc/87/25/67/962872567.db2.gz NKSJUJVBCHVOQT-UHFFFAOYSA-N 0 1 240.310 2.363 20 0 BEADMN Cc1cnc(CCNc2ccc(C)c(C)n2)nc1 ZINC001154861089 962876826 /nfs/dbraw/zinc/87/68/26/962876826.db2.gz BYQNISUURSBYQL-UHFFFAOYSA-N 0 1 242.326 2.451 20 0 BEADMN Cc1cnc(NC[C@@H](O)c2ccco2)cc1C ZINC001154878226 962881276 /nfs/dbraw/zinc/88/12/76/962881276.db2.gz NDDBQPFTNPIPMJ-LLVKDONJSA-N 0 1 232.283 2.437 20 0 BEADMN COC(=O)c1cc2ccc(NCC(C)C)nc2[nH]1 ZINC001161645225 962985305 /nfs/dbraw/zinc/98/53/05/962985305.db2.gz VQBDLVYDNQZRQR-UHFFFAOYSA-N 0 1 247.298 2.417 20 0 BEADMN CC(C)(C)CCNc1nccc2nn[nH]c21 ZINC001161673058 963145668 /nfs/dbraw/zinc/14/56/68/963145668.db2.gz VZKUGHHBSPQVTR-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@@H](F)[C@H](O)C2)c1 ZINC001143580756 963171793 /nfs/dbraw/zinc/17/17/93/963171793.db2.gz VELPOHHPGDDQEW-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN COC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000696572793 963258179 /nfs/dbraw/zinc/25/81/79/963258179.db2.gz LXZHJIZBVHDQKJ-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN CCN(CC)C(=O)[C@@H](C)Nc1cc(C)c(C)cn1 ZINC001156368236 963324378 /nfs/dbraw/zinc/32/43/78/963324378.db2.gz AXUBJXVOXSUMRZ-GFCCVEGCSA-N 0 1 249.358 2.367 20 0 BEADMN CC(C)C[C@@H](C)Cn1cc(CNC(C)C)nn1 ZINC000302387943 963365719 /nfs/dbraw/zinc/36/57/19/963365719.db2.gz QJHWVRBSOBGVRZ-GFCCVEGCSA-N 0 1 238.379 2.458 20 0 BEADMN Cc1cnc(N[C@@](C)(C(N)=O)C(C)C)cc1C ZINC001156651385 963427588 /nfs/dbraw/zinc/42/75/88/963427588.db2.gz MCLJMFRDRXFTLE-CYBMUJFWSA-N 0 1 235.331 2.010 20 0 BEADMN CCN1CCC[C@@H](Oc2nccs2)C1 ZINC001227040192 963442177 /nfs/dbraw/zinc/44/21/77/963442177.db2.gz JCZJBESMCUIHOR-SECBINFHSA-N 0 1 212.318 2.006 20 0 BEADMN COc1ccnc(N2CCC[C@@H]3C[C@@H]32)c1 ZINC001157133695 963541005 /nfs/dbraw/zinc/54/10/05/963541005.db2.gz WTOIYNCTSBLLPL-KOLCDFICSA-N 0 1 204.273 2.079 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686482 963552754 /nfs/dbraw/zinc/55/27/54/963552754.db2.gz QLFPEUFPJMBDCA-SFYZADRCSA-N 0 1 238.287 2.026 20 0 BEADMN CCCNc1nc2[nH]cnc2cc1Cl ZINC001157361438 963585062 /nfs/dbraw/zinc/58/50/62/963585062.db2.gz FQTQKVZVNCVCSD-UHFFFAOYSA-N 0 1 210.668 2.433 20 0 BEADMN Cc1cnc(NC2(c3ccccn3)CC2)c(N)c1 ZINC001157374449 963589002 /nfs/dbraw/zinc/58/90/02/963589002.db2.gz WMENLOKRABUSAM-UHFFFAOYSA-N 0 1 240.310 2.468 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1CC2(CC2)C1 ZINC001157396255 963594659 /nfs/dbraw/zinc/59/46/59/963594659.db2.gz KDDKEBDVKRUMMO-UHFFFAOYSA-N 0 1 241.294 2.463 20 0 BEADMN C[C@H]1CC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806429 963594831 /nfs/dbraw/zinc/59/48/31/963594831.db2.gz JFAKTQOTENFXBE-YUMQZZPRSA-N 0 1 233.271 2.231 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@]12C[C@H]1CCC2 ZINC001157405422 963597332 /nfs/dbraw/zinc/59/73/32/963597332.db2.gz XNXSVAGEBPVYAP-QMTHXVAHSA-N 0 1 241.294 2.463 20 0 BEADMN CC[C@H](F)CN(C)C[C@H]1CCCCN1C(C)=O ZINC001157401137 963597600 /nfs/dbraw/zinc/59/76/00/963597600.db2.gz YBNRSGOPASZRQO-QWHCGFSZSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@@H]1C[C@H](n2c(CN)nc3ccccc32)CCO1 ZINC001168072747 963605345 /nfs/dbraw/zinc/60/53/45/963605345.db2.gz XUVONPSDSWHPRV-GHMZBOCLSA-N 0 1 245.326 2.235 20 0 BEADMN CC(C)N1CC(Nc2ncc(F)c3cc[nH]c32)C1 ZINC001157530572 963641998 /nfs/dbraw/zinc/64/19/98/963641998.db2.gz FUGOXTUDKUFWSC-UHFFFAOYSA-N 0 1 248.305 2.207 20 0 BEADMN CC(C)N1CC(Nc2nccc3ncccc32)C1 ZINC001157526241 963642285 /nfs/dbraw/zinc/64/22/85/963642285.db2.gz NFCCLVFXBYWXNM-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN Cc1conc1NC(=O)c1ocnc1C(F)F ZINC001271865013 963675309 /nfs/dbraw/zinc/67/53/09/963675309.db2.gz NWKMRHSHHOZUFI-UHFFFAOYSA-N 0 1 243.169 2.161 20 0 BEADMN C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](F)C2)CCO1 ZINC001168111512 963749506 /nfs/dbraw/zinc/74/95/06/963749506.db2.gz AXKWEWLTKANGNX-UTLUCORTSA-N 0 1 237.265 2.233 20 0 BEADMN Cc1nc2ccc(OC[C@H]3CCCO3)cc2[nH]1 ZINC001228325486 963756659 /nfs/dbraw/zinc/75/66/59/963756659.db2.gz AAQHAPPZJDJNPV-LLVKDONJSA-N 0 1 232.283 2.429 20 0 BEADMN CC[C@H]1CCCC[C@@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001228389452 963771655 /nfs/dbraw/zinc/77/16/55/963771655.db2.gz XVMOGCLKUNAJNT-IUCAKERBSA-N 0 1 238.287 2.235 20 0 BEADMN CC[C@@H]1CCCC[C@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001228389453 963772380 /nfs/dbraw/zinc/77/23/80/963772380.db2.gz XVMOGCLKUNAJNT-RKDXNWHRSA-N 0 1 238.287 2.235 20 0 BEADMN C[C@H]1C[C@H](N2CC(Oc3ccccc3)C2)CCO1 ZINC001168128780 963807250 /nfs/dbraw/zinc/80/72/50/963807250.db2.gz UKFUJVLUXNMFJA-QWHCGFSZSA-N 0 1 247.338 2.317 20 0 BEADMN FC1(CNc2cccn3cncc23)CCOCC1 ZINC001168129843 963810101 /nfs/dbraw/zinc/81/01/01/963810101.db2.gz OKLCFUDACIUVEH-UHFFFAOYSA-N 0 1 249.289 2.265 20 0 BEADMN CSc1cnc(-n2c(C)cnc2CN)c(C)c1 ZINC001158166246 963814811 /nfs/dbraw/zinc/81/48/11/963814811.db2.gz HDJZWJUIXJEBOG-UHFFFAOYSA-N 0 1 248.355 2.065 20 0 BEADMN CC(C)[C@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480825 963825463 /nfs/dbraw/zinc/82/54/63/963825463.db2.gz PUHYJSRYXHLDGY-LURJTMIESA-N 0 1 216.668 2.259 20 0 BEADMN C[C@@H]1C[C@@H](N2CCn3cccc3[C@H]2C)CCO1 ZINC001168138493 963838436 /nfs/dbraw/zinc/83/84/36/963838436.db2.gz QGZSOEDUEAYHCO-UPJWGTAASA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1C[C@H](N2CCn3cccc3[C@@H]2C)CCO1 ZINC001168138491 963838979 /nfs/dbraw/zinc/83/89/79/963838979.db2.gz QGZSOEDUEAYHCO-FRRDWIJNSA-N 0 1 234.343 2.432 20 0 BEADMN Cc1cc2ccccc2c(N[C@H]2COC(=O)C2)n1 ZINC001158248191 963839724 /nfs/dbraw/zinc/83/97/24/963839724.db2.gz OXXPAZHDWQDLEQ-LLVKDONJSA-N 0 1 242.278 2.271 20 0 BEADMN CC[C@H](C)[C@H](Nc1ccc(C)c(C)n1)C(N)=O ZINC001158273394 963842370 /nfs/dbraw/zinc/84/23/70/963842370.db2.gz CWQOFIDUXWPMCN-UFBFGSQYSA-N 0 1 235.331 2.010 20 0 BEADMN Cc1ncnc(C)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228855201 963900422 /nfs/dbraw/zinc/90/04/22/963900422.db2.gz YPHWOOGIKBVRFR-ZDUSSCGKSA-N 0 1 249.358 2.345 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H](C)CC(C)C)n1 ZINC001228917230 963907953 /nfs/dbraw/zinc/90/79/53/963907953.db2.gz BNPKIMRLRRDDNB-QMMMGPOBSA-N 0 1 226.276 2.004 20 0 BEADMN Cc1cnc(NCc2ncccc2O)cc1C ZINC001158773859 963924652 /nfs/dbraw/zinc/92/46/52/963924652.db2.gz DMGJSHLNKLMEQX-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@@H]2Oc1nnc2c[nH]ccc1-2 ZINC001228989965 963938043 /nfs/dbraw/zinc/93/80/43/963938043.db2.gz MEGKFRBQRFGYDN-SBMIAAHKSA-N 0 1 227.267 2.301 20 0 BEADMN CN1CC2(C1)CN(c1ccc(C(C)(C)C)cn1)C2 ZINC001158869305 963947837 /nfs/dbraw/zinc/94/78/37/963947837.db2.gz ZXHYQCYKNQLLJN-UHFFFAOYSA-N 0 1 245.370 2.131 20 0 BEADMN CN(CC(F)F)c1cc(Cl)nc2[nH]cnc21 ZINC001158926892 963959541 /nfs/dbraw/zinc/95/95/41/963959541.db2.gz QXTYXHSQIMDYBX-UHFFFAOYSA-N 0 1 246.648 2.313 20 0 BEADMN CC1CCC(N2CCc3ncn(C)c3C2)CC1 ZINC001168223765 964004266 /nfs/dbraw/zinc/00/42/66/964004266.db2.gz BDALYTKXJFHTAO-UHFFFAOYSA-N 0 1 233.359 2.357 20 0 BEADMN OCc1cc(Nc2ccc3c(c2)OCC3)ccn1 ZINC001206668519 964007992 /nfs/dbraw/zinc/00/79/92/964007992.db2.gz XCCGUYGRKKJTET-UHFFFAOYSA-N 0 1 242.278 2.252 20 0 BEADMN CCCC=Nc1ncnc2onc(C)c21 ZINC001159669497 964141673 /nfs/dbraw/zinc/14/16/73/964141673.db2.gz YVBRYLKUDNLMAJ-SNAWJCMRSA-N 0 1 204.233 2.262 20 0 BEADMN CCCC=Nc1n[nH]c(Cl)c2ncnc1-2 ZINC001159668727 964143103 /nfs/dbraw/zinc/14/31/03/964143103.db2.gz YICRKXBUSMWRSY-ONEGZZNKSA-N 0 1 223.667 2.342 20 0 BEADMN CCC=CNc1n[nH]c(Cl)c2ncnc1-2 ZINC001159668727 964143107 /nfs/dbraw/zinc/14/31/07/964143107.db2.gz YICRKXBUSMWRSY-ONEGZZNKSA-N 0 1 223.667 2.342 20 0 BEADMN Cc1ncn(-c2cc(Cl)nc(Cl)c2)c1N ZINC001212092075 964251044 /nfs/dbraw/zinc/25/10/44/964251044.db2.gz HAPSICMZYCWGQM-UHFFFAOYSA-N 0 1 243.097 2.465 20 0 BEADMN Nc1nccc(NCC2(c3ccccc3)CC2)n1 ZINC001160263273 964277099 /nfs/dbraw/zinc/27/70/99/964277099.db2.gz ZQOOZYCMGOZESK-UHFFFAOYSA-N 0 1 240.310 2.203 20 0 BEADMN CC(C)[C@@H]1CN([C@H](C)Cc2ccncc2)CCO1 ZINC001256750507 1169836556 /nfs/dbraw/zinc/83/65/56/1169836556.db2.gz UJZXRAIPXMDLTQ-HIFRSBDPSA-N 0 1 248.370 2.369 20 0 BEADMN Cn1cncc1Nc1ccc(N)c(Cl)c1 ZINC001212109035 964391896 /nfs/dbraw/zinc/39/18/96/964391896.db2.gz STXCDLQYQWEYEY-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN Cc1ccnc(C)c1NC1CN(C(C)C)C1 ZINC001168314138 964419893 /nfs/dbraw/zinc/41/98/93/964419893.db2.gz LMAZZXDUILFFGA-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN CC(C)N1CC(Nc2ccc3ccncc3n2)C1 ZINC001168314013 964420418 /nfs/dbraw/zinc/42/04/18/964420418.db2.gz IJOFFZMGWUWCTD-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN Cc1cc(NC2CN(C(C)C)C2)c2nccn2c1 ZINC001168313977 964420751 /nfs/dbraw/zinc/42/07/51/964420751.db2.gz ICUCSOUFUMUBFF-UHFFFAOYSA-N 0 1 244.342 2.147 20 0 BEADMN CC(C)N1CC(Nc2ccc3c(c2)CCO3)C1 ZINC001168315392 964427879 /nfs/dbraw/zinc/42/78/79/964427879.db2.gz LVSLOSSQJMZKGI-UHFFFAOYSA-N 0 1 232.327 2.126 20 0 BEADMN CCC1(Nc2nccc(C)c2C)COC1 ZINC001168316840 964430135 /nfs/dbraw/zinc/43/01/35/964430135.db2.gz RCQDKHIBGVKSBF-UHFFFAOYSA-N 0 1 206.289 2.289 20 0 BEADMN CCC1(Nc2nc(C)ccc2C)COC1 ZINC001168317088 964430923 /nfs/dbraw/zinc/43/09/23/964430923.db2.gz YQHYHTBCGADHGW-UHFFFAOYSA-N 0 1 206.289 2.289 20 0 BEADMN Nc1cn(-c2cccc3nc[nH]c32)c2ncccc12 ZINC001213027152 964436443 /nfs/dbraw/zinc/43/64/43/964436443.db2.gz LTHONGIEANOEOI-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CC(C)N1CC(Nc2cccc3cnoc32)C1 ZINC001168317649 964437716 /nfs/dbraw/zinc/43/77/16/964437716.db2.gz QIAOTGHPLFJJFT-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN CC(C)N1CC(Nc2cccc3nsnc32)C1 ZINC001168315983 964438056 /nfs/dbraw/zinc/43/80/56/964438056.db2.gz RQXWFVZCSJEUTP-UHFFFAOYSA-N 0 1 248.355 2.196 20 0 BEADMN COC(CN(C)C/C=C/c1ccccc1)OC ZINC000714687857 964439636 /nfs/dbraw/zinc/43/96/36/964439636.db2.gz KFKVOCKQBTUZNB-JXMROGBWSA-N 0 1 235.327 2.251 20 0 BEADMN Cc1cnc(NCCc2cnoc2)cc1C ZINC001161701799 964700421 /nfs/dbraw/zinc/70/04/21/964700421.db2.gz BOJXUMBQAZMKBN-UHFFFAOYSA-N 0 1 217.272 2.341 20 0 BEADMN CCC1CCC(N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001256875384 1169846481 /nfs/dbraw/zinc/84/64/81/1169846481.db2.gz XFOLFQXXOSYFPO-PNESKVBLSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(CNc2ccnc(C)c2F)o1 ZINC001161769276 964745418 /nfs/dbraw/zinc/74/54/18/964745418.db2.gz XRSODXIIPNRRFG-UHFFFAOYSA-N 0 1 220.247 2.465 20 0 BEADMN CC(C)OCCNc1ccnc2c1ccn2C ZINC001161795509 964761328 /nfs/dbraw/zinc/76/13/28/964761328.db2.gz BFQQMJAFQAYIDN-UHFFFAOYSA-N 0 1 233.315 2.410 20 0 BEADMN FC(F)(F)CCNc1ccc2nc[nH]c2n1 ZINC001161819637 964770243 /nfs/dbraw/zinc/77/02/43/964770243.db2.gz DUQRQUAAEKAGOR-UHFFFAOYSA-N 0 1 230.193 2.322 20 0 BEADMN CC(C)(CC1CCC1)Nc1ncc2c(n1)CNC2 ZINC001161846190 964785854 /nfs/dbraw/zinc/78/58/54/964785854.db2.gz ANKCBKDAPNZHDH-UHFFFAOYSA-N 0 1 246.358 2.461 20 0 BEADMN Cn1ccc2c1nccc2NC1CSC1 ZINC001168367816 964846667 /nfs/dbraw/zinc/84/66/67/964846667.db2.gz XJFZGTWBLBLGIE-UHFFFAOYSA-N 0 1 219.313 2.101 20 0 BEADMN CCc1coc(CNc2cccc3[nH]nnc32)n1 ZINC001162140407 964854306 /nfs/dbraw/zinc/85/43/06/964854306.db2.gz MBPLIQMEOKTZAD-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN CCc1coc(CNc2cccn3cncc23)n1 ZINC001162139979 964854419 /nfs/dbraw/zinc/85/44/19/964854419.db2.gz GFXOXCVTOUGCNM-UHFFFAOYSA-N 0 1 242.282 2.497 20 0 BEADMN COCc1ccc(NC2CN(C(C)(C)C)C2)nc1 ZINC001162226974 964882907 /nfs/dbraw/zinc/88/29/07/964882907.db2.gz ZWOXNPJZCAPIHI-UHFFFAOYSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1oncc1CNc1cccn2cncc12 ZINC001162274767 964901274 /nfs/dbraw/zinc/90/12/74/964901274.db2.gz HMMODBVVJWDOOZ-UHFFFAOYSA-N 0 1 228.255 2.243 20 0 BEADMN Cc1nc2ccc(N[C@@H](CO)CC(C)C)nc2[nH]1 ZINC001162370517 964945377 /nfs/dbraw/zinc/94/53/77/964945377.db2.gz HNPKBISHTCRYGQ-SNVBAGLBSA-N 0 1 248.330 2.085 20 0 BEADMN CC(C)C[C@H](CO)Nc1ccnc2c1ccn2C ZINC001162372972 964946371 /nfs/dbraw/zinc/94/63/71/964946371.db2.gz WRIOXJAANRUBSB-LLVKDONJSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1cc(N(C)C)nc(NC(C)(C)C2CC2)n1 ZINC001162517393 965016894 /nfs/dbraw/zinc/01/68/94/965016894.db2.gz UGNSGMHDQFTFAT-UHFFFAOYSA-N 0 1 234.347 2.452 20 0 BEADMN Cn1ccc2nc(NC(=N)C(C)(C)C)cnc21 ZINC001162660015 965091740 /nfs/dbraw/zinc/09/17/40/965091740.db2.gz APFKZNLITRUQIR-UHFFFAOYSA-N 0 1 231.303 2.404 20 0 BEADMN Fc1cccc2nc(NCc3c[nH]nn3)sc21 ZINC001162669732 965106092 /nfs/dbraw/zinc/10/60/92/965106092.db2.gz NPILXOJLSRLZDK-UHFFFAOYSA-N 0 1 249.274 2.166 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@@H]1C=CCC1 ZINC000698249407 965142480 /nfs/dbraw/zinc/14/24/80/965142480.db2.gz NQCMTBPVHNOPDR-SECBINFHSA-N 0 1 225.723 2.190 20 0 BEADMN Cc1ccnc(NCc2ccn(C)c(=O)c2)c1C ZINC001168396240 965149707 /nfs/dbraw/zinc/14/97/07/965149707.db2.gz RAUFSFJWMSYSQH-UHFFFAOYSA-N 0 1 243.310 2.009 20 0 BEADMN Fc1ccc2c(c1)CC[C@@H](NCc1ccon1)C2 ZINC001168402078 965229171 /nfs/dbraw/zinc/22/91/71/965229171.db2.gz XZVJNBZJEXDNOO-CYBMUJFWSA-N 0 1 246.285 2.461 20 0 BEADMN Fc1ccc2c(c1)CC[C@@H](NCc1cocn1)C2 ZINC001168404575 965242275 /nfs/dbraw/zinc/24/22/75/965242275.db2.gz MINCINBFFDHWTC-CYBMUJFWSA-N 0 1 246.285 2.461 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NC/C(Cl)=C/Cl ZINC000168224216 965243628 /nfs/dbraw/zinc/24/36/28/965243628.db2.gz WOFSGSPBMUKGIW-QYPICMNDSA-N 0 1 224.131 2.054 20 0 BEADMN C[C@@H]1C[C@@H](NCCOC2CCC2)c2nccn21 ZINC000690706121 965321550 /nfs/dbraw/zinc/32/15/50/965321550.db2.gz UROXKDTWVMKHNN-ZYHUDNBSSA-N 0 1 235.331 2.048 20 0 BEADMN c1cc2n(n1)CCN(C1CCCCC1)C2 ZINC001257461509 1169869924 /nfs/dbraw/zinc/86/99/24/1169869924.db2.gz SWHYOPRWHBHNFW-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN Cc1ccc(N[C@H]2CN3CCC2CC3)c(F)n1 ZINC001163393371 965396529 /nfs/dbraw/zinc/39/65/29/965396529.db2.gz UDLWRFBKDHGMTQ-LBPRGKRZSA-N 0 1 235.306 2.035 20 0 BEADMN CC(C)OC(=O)[C@H](C)Nc1cncc2cc[nH]c21 ZINC001163402407 965399332 /nfs/dbraw/zinc/39/93/32/965399332.db2.gz LUONHFMAQMVAMG-VIFPVBQESA-N 0 1 247.298 2.315 20 0 BEADMN CCOC(=O)c1cnc2cc(N(C)CC)[nH]cc1-2 ZINC001163584779 965465742 /nfs/dbraw/zinc/46/57/42/965465742.db2.gz OVIALTJBFGTVJW-UHFFFAOYSA-N 0 1 247.298 2.196 20 0 BEADMN CCN(C)Cc1cn2c(cccc2Cl)n1 ZINC001233550897 965517764 /nfs/dbraw/zinc/51/77/64/965517764.db2.gz LUYHCRISSDUTLY-UHFFFAOYSA-N 0 1 223.707 2.439 20 0 BEADMN CCN(CC1CC1)[C@H](C)c1ncccn1 ZINC000929623333 965523533 /nfs/dbraw/zinc/52/35/33/965523533.db2.gz ACJZKDLZUDJFTJ-SNVBAGLBSA-N 0 1 205.305 2.270 20 0 BEADMN CC1(C)CN(c2cc(Cl)nc3[nH]cnc32)C1 ZINC001163724861 965539046 /nfs/dbraw/zinc/53/90/46/965539046.db2.gz RPEBRECKPVROSK-UHFFFAOYSA-N 0 1 236.706 2.458 20 0 BEADMN Cc1nccc(NCc2ccccc2N)c1F ZINC001163892083 965620169 /nfs/dbraw/zinc/62/01/69/965620169.db2.gz ZVEZAASHNRPVMM-UHFFFAOYSA-N 0 1 231.274 2.145 20 0 BEADMN Cn1ccc2c1ccnc2N1CCCCO1 ZINC001163929029 965641928 /nfs/dbraw/zinc/64/19/28/965641928.db2.gz VXUWVGYJRNVVKK-UHFFFAOYSA-N 0 1 217.272 2.105 20 0 BEADMN Cc1nc2c[nH]cc(NCC(=O)C(C)(C)C)c-2n1 ZINC001164004709 965686475 /nfs/dbraw/zinc/68/64/75/965686475.db2.gz ATCHFRYWZZILKU-UHFFFAOYSA-N 0 1 246.314 2.293 20 0 BEADMN Cc1nonc1CNc1nc(C)ccc1C ZINC001164054868 965717462 /nfs/dbraw/zinc/71/74/62/965717462.db2.gz WOKLXGFSXJKSGT-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN COc1ccnc(N2CC[C@@H](C)[C@H](F)C2)c1 ZINC001164173973 965775447 /nfs/dbraw/zinc/77/54/47/965775447.db2.gz OKDXIPGPLWTBKX-MWLCHTKSSA-N 0 1 224.279 2.275 20 0 BEADMN Cc1ccc(N2C[C@@H](F)[C@H](F)C2)nc1C ZINC001164209448 965797604 /nfs/dbraw/zinc/79/76/04/965797604.db2.gz BJAZPSKWCQZCPC-NXEZZACHSA-N 0 1 212.243 2.195 20 0 BEADMN Cc1cnc(N2CCC[C@H](O)[C@H](C)C2)cc1C ZINC001164227937 965805409 /nfs/dbraw/zinc/80/54/09/965805409.db2.gz HRTJBHYIQPPHEH-OLZOCXBDSA-N 0 1 234.343 2.296 20 0 BEADMN Cc1cnc(N2CCC[C@@H](O)[C@H](C)C2)cc1C ZINC001164227936 965806828 /nfs/dbraw/zinc/80/68/28/965806828.db2.gz HRTJBHYIQPPHEH-CHWSQXEVSA-N 0 1 234.343 2.296 20 0 BEADMN CC(C)c1cnc(C(C)C)c(=NOCC[NH3+])[n-]1 ZINC001164414407 965875489 /nfs/dbraw/zinc/87/54/89/965875489.db2.gz HFIZIFZXOWJJCX-UHFFFAOYSA-N 0 1 238.335 2.026 20 0 BEADMN CC[C@@H]1COC[C@H]1N[C@H](C)c1cscn1 ZINC000699474136 965896101 /nfs/dbraw/zinc/89/61/01/965896101.db2.gz UMAUPFWNHLSWAZ-OPRDCNLKSA-N 0 1 226.345 2.219 20 0 BEADMN CCc1nc(C)c(CN[C@H]2COC[C@@H]2CC)o1 ZINC000699494102 965914622 /nfs/dbraw/zinc/91/46/22/965914622.db2.gz OGAYSEOIVUJUMK-QWRGUYRKSA-N 0 1 238.331 2.060 20 0 BEADMN CCc1nc(C)c(CN[C@H]2COC[C@H]2CC)o1 ZINC000699494101 965916181 /nfs/dbraw/zinc/91/61/81/965916181.db2.gz OGAYSEOIVUJUMK-MNOVXSKESA-N 0 1 238.331 2.060 20 0 BEADMN Cc1cc(C)nc(N2CC[C@]3(CCOC3)C2)c1 ZINC001165251051 966007889 /nfs/dbraw/zinc/00/78/89/966007889.db2.gz XQAQJUXTJSJPFU-AWEZNQCLSA-N 0 1 232.327 2.315 20 0 BEADMN COC(=O)c1c(C)cc(Nc2nnco2)cc1C ZINC001213121040 966024651 /nfs/dbraw/zinc/02/46/51/966024651.db2.gz MLRVCBWKPXBJJO-UHFFFAOYSA-N 0 1 247.254 2.217 20 0 BEADMN Cc1cnc(N2CCCC(=O)CC2)cc1C ZINC001165465719 966101027 /nfs/dbraw/zinc/10/10/27/966101027.db2.gz SJJMBANXHFKZTK-UHFFFAOYSA-N 0 1 218.300 2.258 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001165778954 966152009 /nfs/dbraw/zinc/15/20/09/966152009.db2.gz JLJKEGNCZNJFRV-GFCCVEGCSA-N 0 1 245.257 2.136 20 0 BEADMN COC(C)(C)CNc1ccnc2c1ccn2C ZINC001165852650 966170719 /nfs/dbraw/zinc/17/07/19/966170719.db2.gz COABESYSVKCZNU-UHFFFAOYSA-N 0 1 233.315 2.410 20 0 BEADMN C[C@H](CCO)Nc1cc(OC(C)(C)C)ccn1 ZINC001165966742 966215971 /nfs/dbraw/zinc/21/59/71/966215971.db2.gz OWYNYTUQDXQKOC-SNVBAGLBSA-N 0 1 238.331 2.442 20 0 BEADMN c1sc2nccnc2c1N=C1CCOC1 ZINC001203382579 966277337 /nfs/dbraw/zinc/27/73/37/966277337.db2.gz PTUBJTKRQIHXGE-UHFFFAOYSA-N 0 1 219.269 2.017 20 0 BEADMN CC(=CC(=O)N(C)Cc1cnc[nH]1)c1ccco1 ZINC001166401685 966278356 /nfs/dbraw/zinc/27/83/56/966278356.db2.gz GCEDUPCQNGRWRX-UXBLZVDNSA-N 0 1 245.282 2.065 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)c1ccc(CF)cc1 ZINC001166402484 966278551 /nfs/dbraw/zinc/27/85/51/966278551.db2.gz PERBAJDYHAPXLX-UHFFFAOYSA-N 0 1 247.273 2.151 20 0 BEADMN CC(=CC(=O)N(C)Cc1cnc[nH]1)c1ccco1 ZINC001166401684 966279779 /nfs/dbraw/zinc/27/97/79/966279779.db2.gz GCEDUPCQNGRWRX-POHAHGRESA-N 0 1 245.282 2.065 20 0 BEADMN Cc1ccc(N2CCC[C@@H](CCO)C2)nc1C ZINC001166847280 966427668 /nfs/dbraw/zinc/42/76/68/966427668.db2.gz AXEUOHLRTQDYKI-ZDUSSCGKSA-N 0 1 234.343 2.297 20 0 BEADMN CC(C)Oc1cc(F)ccc1-n1cncc1N ZINC001212292036 966465579 /nfs/dbraw/zinc/46/55/79/966465579.db2.gz KBQXTCAIQNLXDQ-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN Cc1nc2ccc(Nc3ncccn3)cc2[nH]1 ZINC001213070286 966470777 /nfs/dbraw/zinc/47/07/77/966470777.db2.gz IRQCHZBVJUHVLL-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1C ZINC001166968434 966493275 /nfs/dbraw/zinc/49/32/75/966493275.db2.gz JRZCVAXCCRLDNG-QWRGUYRKSA-N 0 1 220.316 2.312 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000181448122 966517370 /nfs/dbraw/zinc/51/73/70/966517370.db2.gz IVRWKGPFYWXQBO-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)(O)C=CNc1nc(Cl)cnc1Cl ZINC001203214316 966525640 /nfs/dbraw/zinc/52/56/40/966525640.db2.gz LKMGZIHIEYCQDB-ONEGZZNKSA-N 0 1 248.113 2.480 20 0 BEADMN Cc1ccc([C@H]2CCCN2Cc2c[nH]nn2)cc1 ZINC001203206426 966550253 /nfs/dbraw/zinc/55/02/53/966550253.db2.gz ZYPODYCKDZUXQR-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN c1coc(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001203285799 966595409 /nfs/dbraw/zinc/59/54/09/966595409.db2.gz VCLWHKIABFDVNU-GFCCVEGCSA-N 0 1 207.273 2.035 20 0 BEADMN Oc1cccc(CNCc2ccnc(F)c2)c1 ZINC001203289074 966604584 /nfs/dbraw/zinc/60/45/84/966604584.db2.gz INPSVUNQYPRJPF-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN Cc1ccc(C[C@@H](C)N(C)CC2OCCO2)cc1 ZINC000182330440 966637021 /nfs/dbraw/zinc/63/70/21/966637021.db2.gz RQPKNUXWTVIJOH-CYBMUJFWSA-N 0 1 249.354 2.231 20 0 BEADMN COc1ccc(OC)c(C[N@H+]2CC[C@@H]2C)c1 ZINC001203520911 966673949 /nfs/dbraw/zinc/67/39/49/966673949.db2.gz RSDBKSCJWVQNJA-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN COc1ccc(OC)c(CN2CC[C@@H]2C)c1 ZINC001203520911 966673955 /nfs/dbraw/zinc/67/39/55/966673955.db2.gz RSDBKSCJWVQNJA-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN CCc1[nH]ncc1CN(CC)CC(F)(F)F ZINC001237654347 966687112 /nfs/dbraw/zinc/68/71/12/966687112.db2.gz FHVZOYAITYOJRO-UHFFFAOYSA-N 0 1 235.253 2.356 20 0 BEADMN CCC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001099546253 966691519 /nfs/dbraw/zinc/69/15/19/966691519.db2.gz UZVBTFQMWVRFSE-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC=C(C)C(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC001298721095 1169896297 /nfs/dbraw/zinc/89/62/97/1169896297.db2.gz OROJPIPRVDZFPI-YWEYNIOJSA-N 0 1 246.266 2.357 20 0 BEADMN Cc1cnc(C)c(Nc2cncn2C)c1 ZINC001203656271 966719087 /nfs/dbraw/zinc/71/90/87/966719087.db2.gz OZWZPEWWLCJKHV-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN COC(=O)CC1CN(Cc2ccc(C)cc2C)C1 ZINC001203736417 966755949 /nfs/dbraw/zinc/75/59/49/966755949.db2.gz PMOTXPBHAUKRPA-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN COc1ccc(CN2CCC[C@H]3C[C@H]32)cc1O ZINC001203871061 966801780 /nfs/dbraw/zinc/80/17/80/966801780.db2.gz MNPBHLDGWKEBPO-NWDGAFQWSA-N 0 1 233.311 2.385 20 0 BEADMN CC(C)(O)C=Cc1cccc2nc[nH]c21 ZINC001239150458 966829875 /nfs/dbraw/zinc/82/98/75/966829875.db2.gz FLYIMNWFXILVAH-VOTSOKGWSA-N 0 1 202.257 2.347 20 0 BEADMN CCOC[C@@]12CCC[C@@H]1CN(Cc1ncc[nH]1)C2 ZINC001203976424 966834176 /nfs/dbraw/zinc/83/41/76/966834176.db2.gz YHDKNVQGNBDMJU-OCCSQVGLSA-N 0 1 249.358 2.048 20 0 BEADMN Cn1ccc2c1nccc2N[C@@H](CO)C(C)(C)C ZINC001168562199 966880752 /nfs/dbraw/zinc/88/07/52/966880752.db2.gz INKHSZGQBTYYJN-LBPRGKRZSA-N 0 1 247.342 2.392 20 0 BEADMN CCOc1cc(CN2CC[C@@H]2C)ccc1O ZINC001204127988 966897281 /nfs/dbraw/zinc/89/72/81/966897281.db2.gz QTLFWPQYESTIKA-JTQLQIEISA-N 0 1 221.300 2.385 20 0 BEADMN Cc1ccc(CN2C[C@H](CO)C[C@H](F)C2)cc1 ZINC001204168920 966913544 /nfs/dbraw/zinc/91/35/44/966913544.db2.gz AQVUOZCNJKKEQU-KGLIPLIRSA-N 0 1 237.318 2.147 20 0 BEADMN CC(=O)[C@@H](C)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001205234030 966923048 /nfs/dbraw/zinc/92/30/48/966923048.db2.gz UYCQVEBCADAKND-UKRRQHHQSA-N 0 1 247.338 2.255 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1c(F)cccc1F ZINC001204202484 966923852 /nfs/dbraw/zinc/92/38/52/966923852.db2.gz DLHAATYSNXFMJL-UWVGGRQHSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2ccc(F)cc2F)C1 ZINC001204207841 966925717 /nfs/dbraw/zinc/92/57/17/966925717.db2.gz NIMYWOOXLZHFMU-CABZTGNLSA-N 0 1 241.281 2.168 20 0 BEADMN CSc1ccc(-c2cnc(CN)nc2)cc1 ZINC001239497520 966932032 /nfs/dbraw/zinc/93/20/32/966932032.db2.gz FZVWYHSVTBJEMA-UHFFFAOYSA-N 0 1 231.324 2.324 20 0 BEADMN F[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC001204244206 966943322 /nfs/dbraw/zinc/94/33/22/966943322.db2.gz TZTZUBIXDSGGLH-LBPRGKRZSA-N 0 1 239.290 2.373 20 0 BEADMN Cn1cc(CN2CC3(COC3)C2)c2ccccc21 ZINC001204316243 966970321 /nfs/dbraw/zinc/97/03/21/966970321.db2.gz ZPDAWBIKBDZKEP-UHFFFAOYSA-N 0 1 242.322 2.011 20 0 BEADMN Cc1csc(CN2CC[C@H](C)[C@@H](O)CC2)n1 ZINC001204374718 966987599 /nfs/dbraw/zinc/98/75/99/966987599.db2.gz PEVSZPAPDOLGOE-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN CN(Cc1ncccc1F)C[C@@H]1CCCOC1 ZINC001204460460 967002324 /nfs/dbraw/zinc/00/23/24/967002324.db2.gz MSYKFTBLIDIOCL-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN C(=C/c1ncc2c(n1)CNCC2)\c1ccccc1 ZINC001239590358 967028721 /nfs/dbraw/zinc/02/87/21/967028721.db2.gz BKIJPMSCQPNLJF-VOTSOKGWSA-N 0 1 237.306 2.293 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)c(C)o1 ZINC001204541472 967045064 /nfs/dbraw/zinc/04/50/64/967045064.db2.gz KOUMFKJOVGRSGY-NSHDSACASA-N 0 1 209.289 2.117 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cnc(N)c(C)c2)on1 ZINC001249779228 967051426 /nfs/dbraw/zinc/05/14/26/967051426.db2.gz SHELLGDEYIDDGE-VIFPVBQESA-N 0 1 246.314 2.312 20 0 BEADMN COc1cc(CN2CC[C@@H](OC)C2)ccc1F ZINC001204557606 967052792 /nfs/dbraw/zinc/05/27/92/967052792.db2.gz VPRJDNWCFZVMIW-LLVKDONJSA-N 0 1 239.290 2.055 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000094680187 967061199 /nfs/dbraw/zinc/06/11/99/967061199.db2.gz ZICMEJXVBIKGGF-ZDUSSCGKSA-N 0 1 233.311 2.193 20 0 BEADMN Cc1c(CN2CCC[C@@H](C(F)F)C2)cnn1C ZINC001204572775 967062175 /nfs/dbraw/zinc/06/21/75/967062175.db2.gz SKTSFHUFADARFC-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN Cc1ncn(-c2cc3cc(F)ccc3[nH]2)c1N ZINC001249851106 967091706 /nfs/dbraw/zinc/09/17/06/967091706.db2.gz SOJXBGMVQFZDKJ-UHFFFAOYSA-N 0 1 230.246 2.383 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1ccc(C)cc1 ZINC001249908472 967146727 /nfs/dbraw/zinc/14/67/27/967146727.db2.gz PAVZFHOKDMJWGI-UHFFFAOYSA-N 0 1 214.268 2.452 20 0 BEADMN CCN(C)Cc1cnc(Cl)c(OC)c1 ZINC001249911584 967147069 /nfs/dbraw/zinc/14/70/69/967147069.db2.gz ARVZOFSVWAVZIO-UHFFFAOYSA-N 0 1 214.696 2.195 20 0 BEADMN CCOC(=O)C(O)=Cc1ccccc1SC ZINC001249914394 967153227 /nfs/dbraw/zinc/15/32/27/967153227.db2.gz IRKLNYRGMSLQCN-UHFFFAOYSA-N 0 1 238.308 2.083 20 0 BEADMN CC1CN(Cc2cc(F)cc(N(C)C)c2)C1 ZINC001249941372 967181078 /nfs/dbraw/zinc/18/10/78/967181078.db2.gz FYJKDHASRJCGPJ-UHFFFAOYSA-N 0 1 222.307 2.343 20 0 BEADMN Cc1nn(C)c2ccc(Nc3cncn3C)cc12 ZINC001204849014 967201921 /nfs/dbraw/zinc/20/19/21/967201921.db2.gz GGLQPGGRJXOJIS-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN COc1ncccc1-c1ccc(CN(C)C)cn1 ZINC001239856306 967227884 /nfs/dbraw/zinc/22/78/84/967227884.db2.gz ALPLALOCKNNJBS-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN COc1ncccc1-c1cccn2cncc12 ZINC001239858995 967235002 /nfs/dbraw/zinc/23/50/02/967235002.db2.gz AGDWSEXPQMAIKQ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COc1cncc(-c2nccc3[nH]cnc32)c1 ZINC001239926423 967255381 /nfs/dbraw/zinc/25/53/81/967255381.db2.gz MJIYZHUXHCSXAM-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(C)c1ncc(-c2cncc3cc[nH]c32)cn1 ZINC001205004330 967285233 /nfs/dbraw/zinc/28/52/33/967285233.db2.gz HGHRPMUBRDPLQS-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COC(=O)CC1CN(Cc2cccc(C)c2C)C1 ZINC001205088240 967330918 /nfs/dbraw/zinc/33/09/18/967330918.db2.gz DGEWLJRXLWOTTQ-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN Cc1cccc(CN2C[C@@H]3C[C@H]2CO3)c1C ZINC001205089452 967338957 /nfs/dbraw/zinc/33/89/57/967338957.db2.gz QEPWIEIXSROMQP-KBPBESRZSA-N 0 1 217.312 2.277 20 0 BEADMN Cc1cc2[nH]ncc2cc1CC(=O)OC(C)C ZINC001250086869 967351759 /nfs/dbraw/zinc/35/17/59/967351759.db2.gz ZZQOQUNQFPQCKD-UHFFFAOYSA-N 0 1 232.283 2.365 20 0 BEADMN c1ncn2cc(C[C@@H]3CCCO3)ccc12 ZINC001250105236 967381392 /nfs/dbraw/zinc/38/13/92/967381392.db2.gz ORYOSOWTBVCPFR-LBPRGKRZSA-N 0 1 202.257 2.056 20 0 BEADMN Cn1ccnc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001205150244 967396794 /nfs/dbraw/zinc/39/67/94/967396794.db2.gz XPDJBPGEFKFPNZ-CHWSQXEVSA-N 0 1 233.359 2.432 20 0 BEADMN Cn1ccnc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001205150244 967396805 /nfs/dbraw/zinc/39/68/05/967396805.db2.gz XPDJBPGEFKFPNZ-CHWSQXEVSA-N 0 1 233.359 2.432 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1cc2c(nn1)CNC2 ZINC001168696397 967414423 /nfs/dbraw/zinc/41/44/23/967414423.db2.gz SOYIUZVKAAXLSH-UWVGGRQHSA-N 0 1 234.347 2.316 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1ccc(F)cc1 ZINC001250132829 967415397 /nfs/dbraw/zinc/41/53/97/967415397.db2.gz FVNRATXHXNITLI-UHFFFAOYSA-N 0 1 218.231 2.283 20 0 BEADMN CC(C)(C)C(=O)OCOC1CN(C(C)(C)C)C1 ZINC001205249587 967438051 /nfs/dbraw/zinc/43/80/51/967438051.db2.gz MLZWSCUSORFYNY-UHFFFAOYSA-N 0 1 243.347 2.033 20 0 BEADMN Cc1cc(Cc2ccc3c(c2)OCO3)cnc1N ZINC001250157417 967449290 /nfs/dbraw/zinc/44/92/90/967449290.db2.gz VIFQWWKHMVWQDH-UHFFFAOYSA-N 0 1 242.278 2.292 20 0 BEADMN CCn1nccc1-n1c(N)nc2c1cccc2C ZINC001205268123 967463151 /nfs/dbraw/zinc/46/31/51/967463151.db2.gz KNRSVLQUKKQWSR-UHFFFAOYSA-N 0 1 241.298 2.133 20 0 BEADMN [O-]c1c(F)cc(CC[NH+]2CCCC2)cc1F ZINC001250166962 967465252 /nfs/dbraw/zinc/46/52/52/967465252.db2.gz XBUIYQSKMXCTMW-UHFFFAOYSA-N 0 1 227.254 2.309 20 0 BEADMN Cc1nc2c[nH]cc(-c3csc(CO)c3)c-2n1 ZINC001205310785 967517773 /nfs/dbraw/zinc/51/77/73/967517773.db2.gz FFCBSPYIQBKRBO-UHFFFAOYSA-N 0 1 245.307 2.487 20 0 BEADMN Cc1nc2c(cncc2-c2csc(CO)c2)[nH]1 ZINC001205310785 967517784 /nfs/dbraw/zinc/51/77/84/967517784.db2.gz FFCBSPYIQBKRBO-UHFFFAOYSA-N 0 1 245.307 2.487 20 0 BEADMN Cc1ncn(-c2c(F)ccc(O)c2Cl)c1N ZINC001250229451 967542130 /nfs/dbraw/zinc/54/21/30/967542130.db2.gz IYULPYWZISZMEP-UHFFFAOYSA-N 0 1 241.653 2.261 20 0 BEADMN C[C@@H](CCc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC000082717716 967566019 /nfs/dbraw/zinc/56/60/19/967566019.db2.gz RVMGIXYKSMXMEV-NSHDSACASA-N 0 1 221.300 2.024 20 0 BEADMN Cc1[nH]nc2ccc(CCn3ccnc3)cc12 ZINC001250316615 967690427 /nfs/dbraw/zinc/69/04/27/967690427.db2.gz OZIFKNDXVTZZMS-UHFFFAOYSA-N 0 1 226.283 2.311 20 0 BEADMN Cc1cc(O)cnc1Nc1ccc2cncn2c1 ZINC001250324004 967701010 /nfs/dbraw/zinc/70/10/10/967701010.db2.gz MTMLXIRXKKIMIR-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN O=c1[nH]cccc1Nc1ccc2cncn2c1 ZINC001250323014 967701096 /nfs/dbraw/zinc/70/10/96/967701096.db2.gz CDQITUSBQQKDLD-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN O=c1cc(Nc2ccc3cncn3c2)cc[nH]1 ZINC001250323485 967701207 /nfs/dbraw/zinc/70/12/07/967701207.db2.gz GMZPKJVJJWPWNB-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN Cc1cnc(Nc2ccc3cncn3c2)nc1C ZINC001250322558 967702733 /nfs/dbraw/zinc/70/27/33/967702733.db2.gz DKTRSLIBFWCGFB-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396211 967704202 /nfs/dbraw/zinc/70/42/02/967704202.db2.gz PUZQBAUTRUVQAI-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396194 967704414 /nfs/dbraw/zinc/70/44/14/967704414.db2.gz PUZQBAUTRUVQAI-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN Nc1cncc(Nc2ccc3cncn3c2)c1 ZINC001250327435 967712616 /nfs/dbraw/zinc/71/26/16/967712616.db2.gz WVCXCLWGSKJIDX-UHFFFAOYSA-N 0 1 225.255 2.055 20 0 BEADMN Nc1cccc(O)c1Nc1ccc2cncn2c1 ZINC001250335688 967721779 /nfs/dbraw/zinc/72/17/79/967721779.db2.gz NUSVOSGWQFYLTA-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN Cc1nnc(Cc2ccc(Cl)c(O)c2F)o1 ZINC001250338734 967727616 /nfs/dbraw/zinc/72/76/16/967727616.db2.gz ZETOOARPWYUKFO-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN CCC(C)(C)N(C)Cc1nc(CO)cs1 ZINC001205634405 967732604 /nfs/dbraw/zinc/73/26/04/967732604.db2.gz SESDTAZZZLNQHN-UHFFFAOYSA-N 0 1 228.361 2.256 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)ccc1N ZINC001214200211 967733178 /nfs/dbraw/zinc/73/31/78/967733178.db2.gz RENCHRGOALPBRV-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN Cc1[nH]nc2ccc(Cc3cnccn3)cc21 ZINC001250372658 967785450 /nfs/dbraw/zinc/78/54/50/967785450.db2.gz RFJIBBRRBRDMBL-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1nc2ccc(Cc3cnccn3)cc2[nH]1 ZINC001250374652 967790418 /nfs/dbraw/zinc/79/04/18/967790418.db2.gz LQXPPQFOUTWVNC-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN c1nocc1CN1CCC2(CCOCC2)CC1 ZINC001205704148 967794975 /nfs/dbraw/zinc/79/49/75/967794975.db2.gz SQEKGRJAEDXXRN-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN c1nocc1CN1CCC2(CCCOC2)CC1 ZINC001205732305 967806479 /nfs/dbraw/zinc/80/64/79/967806479.db2.gz QSKIMDRVXZHXJK-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN Cc1cccc(Cc2cnc(N)cc2C)n1 ZINC001250424226 967836039 /nfs/dbraw/zinc/83/60/39/967836039.db2.gz FXCXKLNRJHPIAS-UHFFFAOYSA-N 0 1 213.284 2.266 20 0 BEADMN Cc1cnccc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001205827720 967841281 /nfs/dbraw/zinc/84/12/81/967841281.db2.gz BCOBRSZZUPDSQO-PWSUYJOCSA-N 0 1 208.280 2.180 20 0 BEADMN CCc1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC001250426561 967843830 /nfs/dbraw/zinc/84/38/30/967843830.db2.gz JPBJCNISJILEJE-UHFFFAOYSA-N 0 1 230.246 2.450 20 0 BEADMN CCOc1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC001250431304 967847517 /nfs/dbraw/zinc/84/75/17/967847517.db2.gz ATIHIIMXERCZPQ-SECBINFHSA-N 0 1 232.283 2.466 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cnc(C)nc1 ZINC001205860760 967860010 /nfs/dbraw/zinc/86/00/10/967860010.db2.gz UPQNUOZAQNQXGH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1ccc2nc(-c3cc[nH]n3)[nH]c2c1 ZINC001250438325 967860134 /nfs/dbraw/zinc/86/01/34/967860134.db2.gz KNWOFCDZCSVAGN-UHFFFAOYSA-N 0 1 228.255 2.352 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cc[nH]n3)nc21 ZINC001250438819 967860729 /nfs/dbraw/zinc/86/07/29/967860729.db2.gz URZVPUHWNQTFJS-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1cncc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC001250442873 967866544 /nfs/dbraw/zinc/86/65/44/967866544.db2.gz PNPYVWBOQBVEPK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Oc1cc(F)c(-c2ncccn2)c(F)c1 ZINC001250444104 967868660 /nfs/dbraw/zinc/86/86/60/967868660.db2.gz RPROFSLMSGDFDM-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1ncn(C)c1Nc1c(C)ccnc1F ZINC001212556723 967873453 /nfs/dbraw/zinc/87/34/53/967873453.db2.gz OVMKGTKGAAGOBC-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN c1[nH]nnc1-c1nc2ccccc2n1CC1CC1 ZINC001250446852 967873499 /nfs/dbraw/zinc/87/34/99/967873499.db2.gz ZHXIYMSJJOSGHJ-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN FC(F)c1ccc2nc(-c3cn[nH]n3)[nH]c2c1 ZINC001250446628 967874257 /nfs/dbraw/zinc/87/42/57/967874257.db2.gz UTXUZQSTXNMFNJ-UHFFFAOYSA-N 0 1 235.197 2.286 20 0 BEADMN FC(F)c1ccc2[nH]c(-c3c[nH]nn3)nc2c1 ZINC001250446628 967874259 /nfs/dbraw/zinc/87/42/59/967874259.db2.gz UTXUZQSTXNMFNJ-UHFFFAOYSA-N 0 1 235.197 2.286 20 0 BEADMN Cc1nc2ccc(NCc3cccn3C)nc2[nH]1 ZINC001162711219 967894826 /nfs/dbraw/zinc/89/48/26/967894826.db2.gz CQTWEDGKKYBDKG-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCC1(CC)C[N@@H+](CCCC(=O)[O-])CCS1 ZINC000309712210 967938271 /nfs/dbraw/zinc/93/82/71/967938271.db2.gz XKPZPYDMKFLOHO-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN Oc1c(F)cc(F)c(-c2ccncn2)c1F ZINC001250493713 967968684 /nfs/dbraw/zinc/96/86/84/967968684.db2.gz ZCHRUKADMYYLKR-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1nc[nH]c1-c1nc2cc(F)ccc2n1C ZINC001250498136 967981558 /nfs/dbraw/zinc/98/15/58/967981558.db2.gz KCYUAADKVAAWNM-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CN(C)c1ccc2nc(-c3nccn3C)[nH]c2c1 ZINC001250500958 967986939 /nfs/dbraw/zinc/98/69/39/967986939.db2.gz GWCDVTPRFQEZRI-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN Cc1cc2nc(-c3cn(C)cn3)[nH]c2cc1F ZINC001250512236 968010043 /nfs/dbraw/zinc/01/00/43/968010043.db2.gz XHHIRMMHBZMKDO-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2nc(-c3ccnn3C)[nH]c2cc1F ZINC001250514609 968012769 /nfs/dbraw/zinc/01/27/69/968012769.db2.gz BWKCSRMLPMDXSF-UHFFFAOYSA-N 0 1 246.245 2.111 20 0 BEADMN c1ccc(C2=CC[C@H](N3CCOCC3)CC2)nc1 ZINC001250515242 968014163 /nfs/dbraw/zinc/01/41/63/968014163.db2.gz LVBYCWAPNSQWMX-AWEZNQCLSA-N 0 1 244.338 2.350 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ccnn3C)nc21 ZINC001250514761 968014805 /nfs/dbraw/zinc/01/48/05/968014805.db2.gz DUOAEYXJNXUBQZ-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1ccc(-c2cc(F)c(O)c(F)c2)nn1 ZINC001250519897 968022603 /nfs/dbraw/zinc/02/26/03/968022603.db2.gz LLSHQLBJNGKVQE-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN COc1ccc2c(ccnc2N2CCC2)c1 ZINC001163534470 968050786 /nfs/dbraw/zinc/05/07/86/968050786.db2.gz XGFYZTHTXXZYDD-UHFFFAOYSA-N 0 1 214.268 2.454 20 0 BEADMN Cc1nc2cnc(N3[C@H](C)CCC[C@@H]3C)nc2[nH]1 ZINC001163547233 968056644 /nfs/dbraw/zinc/05/66/44/968056644.db2.gz XOCVWUDXVLQTMH-DTORHVGOSA-N 0 1 245.330 2.380 20 0 BEADMN CC1(c2nc3c([nH]2)c(F)c(F)cc3F)COC1 ZINC001250559099 968066183 /nfs/dbraw/zinc/06/61/83/968066183.db2.gz RURKWGAKMSGMPL-UHFFFAOYSA-N 0 1 242.200 2.268 20 0 BEADMN COc1ccc2nc([C@H]3COC(C)(C)O3)[nH]c2c1 ZINC001250562933 968074655 /nfs/dbraw/zinc/07/46/55/968074655.db2.gz TVIULJNZVWJULY-LLVKDONJSA-N 0 1 248.282 2.396 20 0 BEADMN CCOc1ccc2nc([C@@H](C)C(=O)OC)[nH]c2c1 ZINC001250577797 968100233 /nfs/dbraw/zinc/10/02/33/968100233.db2.gz YOHMHUHGVYVCEE-MRVPVSSYSA-N 0 1 248.282 2.238 20 0 BEADMN CCOC(=O)Cc1nc2c(cc(F)cc2C)[nH]1 ZINC001250592990 968123999 /nfs/dbraw/zinc/12/39/99/968123999.db2.gz XZKXUGWRTUTIIM-UHFFFAOYSA-N 0 1 236.246 2.116 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000385889373 968131360 /nfs/dbraw/zinc/13/13/60/968131360.db2.gz YWAMIYDNQPWLBR-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN Cc1cc(C)nc(N(C)Cc2ncccn2)c1 ZINC001163922315 968135823 /nfs/dbraw/zinc/13/58/23/968135823.db2.gz ZXASLIUFTNFMRT-UHFFFAOYSA-N 0 1 228.299 2.125 20 0 BEADMN Cc1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001250601404 968144708 /nfs/dbraw/zinc/14/47/08/968144708.db2.gz IWUDDOBZPPTWJR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cccc(-c2ccc3nn[nH]c3c2)n1 ZINC001250601404 968144720 /nfs/dbraw/zinc/14/47/20/968144720.db2.gz IWUDDOBZPPTWJR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN NC(=O)c1ccccc1-c1cc(F)c(O)c(F)c1 ZINC001250609841 968155931 /nfs/dbraw/zinc/15/59/31/968155931.db2.gz IWNILTWVGXZWGZ-UHFFFAOYSA-N 0 1 249.216 2.436 20 0 BEADMN COCOc1ccc2nc(-c3ccon3)[nH]c2c1 ZINC001250622621 968169255 /nfs/dbraw/zinc/16/92/55/968169255.db2.gz WBCJRGXNCQMLRM-UHFFFAOYSA-N 0 1 245.238 2.201 20 0 BEADMN CNc1nccc(-c2nc3ccc(C)cc3[nH]2)n1 ZINC001250835928 968205990 /nfs/dbraw/zinc/20/59/90/968205990.db2.gz UYKSGGWYLDTBKS-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN Cc1cc2nc(-c3cccnn3)[nH]c2cc1F ZINC001250828089 968207809 /nfs/dbraw/zinc/20/78/09/968207809.db2.gz HYZVJXDIJMBWQU-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc2nc(-c3nccnc3N)[nH]c2cc1F ZINC001250834656 968207895 /nfs/dbraw/zinc/20/78/95/968207895.db2.gz CAMWPEMJHXICEV-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN CC(=O)Nc1ccc2nc(-c3ncco3)[nH]c2c1 ZINC001250924544 968217012 /nfs/dbraw/zinc/21/70/12/968217012.db2.gz XMISAYVTFQRLKV-UHFFFAOYSA-N 0 1 242.238 2.176 20 0 BEADMN Cn1ccc(C[N@@H+](C)CCc2cccc(F)c2)n1 ZINC001206309593 968218874 /nfs/dbraw/zinc/21/88/74/968218874.db2.gz CNJDVRBHZNIFMJ-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1ccn(C)n1 ZINC001206309593 968218884 /nfs/dbraw/zinc/21/88/84/968218884.db2.gz CNJDVRBHZNIFMJ-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC(F)(F)C1 ZINC000397029672 968238106 /nfs/dbraw/zinc/23/81/06/968238106.db2.gz APZBGAUWCBFMGU-WCBMZHEXSA-N 0 1 247.285 2.217 20 0 BEADMN COc1cnc(-c2nc3cccc(C)c3[nH]2)cn1 ZINC001251054803 968255787 /nfs/dbraw/zinc/25/57/87/968255787.db2.gz VZUCYXFHJHDAFU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(C[N@H+]2CC[C@H](C)C[C@@H]2C)cn1 ZINC001206410263 968286808 /nfs/dbraw/zinc/28/68/08/968286808.db2.gz NJXYPYYEIJWXQC-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CC[C@H](C)C[C@@H]2C)cn1 ZINC001206410263 968286815 /nfs/dbraw/zinc/28/68/15/968286815.db2.gz NJXYPYYEIJWXQC-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@@H]1CCCN(Cc2cnc(OC)nc2)C1 ZINC001206418136 968289692 /nfs/dbraw/zinc/28/96/92/968289692.db2.gz HDKJISRFDMEBAO-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN C1=C[C@H](NCc2cc3c(cn2)OCCO3)CCC1 ZINC001119241856 968294785 /nfs/dbraw/zinc/29/47/85/968294785.db2.gz NIOGAFICSVZQGI-NSHDSACASA-N 0 1 246.310 2.051 20 0 BEADMN COc1ncc(CN2CCCC3(CCC3)C2)cn1 ZINC001206433173 968303016 /nfs/dbraw/zinc/30/30/16/968303016.db2.gz VZHQCSYMOUBURE-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CC[C@@H](O)CN1CCc2ccc(C(C)=O)cc2C1 ZINC001251780131 968327748 /nfs/dbraw/zinc/32/77/48/968327748.db2.gz GMUYRSQNHDPIJQ-OAHLLOKOSA-N 0 1 247.338 2.018 20 0 BEADMN COc1cnccc1CN1CCC(CF)CC1 ZINC001206473192 968328789 /nfs/dbraw/zinc/32/87/89/968328789.db2.gz DFSLQBBGZHMPIT-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN COC(=O)c1cc(CN[C@@H]2C=CCC2)oc1C ZINC000698332202 968336278 /nfs/dbraw/zinc/33/62/78/968336278.db2.gz MPHRVRZVRGDNGD-SNVBAGLBSA-N 0 1 235.283 2.183 20 0 BEADMN CC[C@@H](O)CNC1(c2ccc(F)cc2F)CC1 ZINC001251811508 968347068 /nfs/dbraw/zinc/34/70/68/968347068.db2.gz SCXLKQCYUZMBRI-SNVBAGLBSA-N 0 1 241.281 2.314 20 0 BEADMN CC[C@@H](O)CN[C@@H](c1ncccc1F)C1CC1 ZINC001251817380 968352610 /nfs/dbraw/zinc/35/26/10/968352610.db2.gz HECIEKXFMOTXKL-ZYHUDNBSSA-N 0 1 238.306 2.032 20 0 BEADMN CCN(Cc1ncccc1OC)C(C)C ZINC001206611378 968393865 /nfs/dbraw/zinc/39/38/65/968393865.db2.gz URSBNHGOBYDLGE-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN CCOc1ccnc(N2CCC(=O)C(C)(C)C2)c1 ZINC001166975658 968408186 /nfs/dbraw/zinc/40/81/86/968408186.db2.gz FEEMEZFPQIQBOI-UHFFFAOYSA-N 0 1 248.326 2.286 20 0 BEADMN CC(C)Oc1ccnc(N(C)C2(C)COC2)c1 ZINC001166985913 968414852 /nfs/dbraw/zinc/41/48/52/968414852.db2.gz NYIPUSNKNMKAMG-UHFFFAOYSA-N 0 1 236.315 2.094 20 0 BEADMN COc1cccnc1CN1CC[C@](C)(CF)C1 ZINC001206610276 968419901 /nfs/dbraw/zinc/41/99/01/968419901.db2.gz CYFNTPRQHOSNOW-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN O[C@@H](CN1C[C@@H]2C[C@@H]2[C@H](F)C1)c1ccccc1 ZINC001251984326 968422571 /nfs/dbraw/zinc/42/25/71/968422571.db2.gz FSRYOAAPAMEZTB-FQUUOJAGSA-N 0 1 235.302 2.010 20 0 BEADMN COc1cncc(-c2cc(F)c(O)cc2F)n1 ZINC001206755260 968454069 /nfs/dbraw/zinc/45/40/69/968454069.db2.gz HAJXZCPQLGXEJZ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN COc1cncnc1-c1cc(F)c(O)cc1F ZINC001206756219 968456786 /nfs/dbraw/zinc/45/67/86/968456786.db2.gz XQTZGZLQSILTRA-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Fc1cnccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001206783452 968469884 /nfs/dbraw/zinc/46/98/84/968469884.db2.gz BHSRFTDRCMDMHS-NHCYSSNCSA-N 0 1 224.254 2.011 20 0 BEADMN Cc1nc(CN2CCC[C@@H](O)[C@H](C)C2)cs1 ZINC001206798073 968482789 /nfs/dbraw/zinc/48/27/89/968482789.db2.gz AKAZVGXEVHJKBG-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN CCCC[C@@H](O)CNCc1cnccc1Cl ZINC001252076141 968494603 /nfs/dbraw/zinc/49/46/03/968494603.db2.gz HJFBYNCALCHBQI-LLVKDONJSA-N 0 1 242.750 2.376 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001206846449 968495307 /nfs/dbraw/zinc/49/53/07/968495307.db2.gz JXDCBZTZWWWKNF-ZFWWWQNUSA-N 0 1 246.354 2.391 20 0 BEADMN COc1cncc(CN2CCC3(CC3)C2)c1 ZINC001206994270 968531726 /nfs/dbraw/zinc/53/17/26/968531726.db2.gz ZZAZXRHMEBFWIP-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN c1cnc(CN2CC3CCC(CC3)C2)nc1 ZINC001207016904 968554175 /nfs/dbraw/zinc/55/41/75/968554175.db2.gz JPWDPFSPQQLGSH-UHFFFAOYSA-N 0 1 217.316 2.099 20 0 BEADMN CCCN(CCOC)Cc1ccc(F)cn1 ZINC001207036898 968569591 /nfs/dbraw/zinc/56/95/91/968569591.db2.gz HCWZNUMINQAZFP-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN CO[C@H]1CCN(Cc2ncccc2F)[C@H](C)C1 ZINC001207036947 968571312 /nfs/dbraw/zinc/57/13/12/968571312.db2.gz JASQILKREREFJJ-MNOVXSKESA-N 0 1 238.306 2.220 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccc(F)cn3)C[C@H]12 ZINC001207045384 968575751 /nfs/dbraw/zinc/57/57/51/968575751.db2.gz QTJBNWPSVRRXIR-GWCFXTLKSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1nnc(SCc2sc(C)nc2C)[nH]1 ZINC001252097224 968578829 /nfs/dbraw/zinc/57/88/29/968578829.db2.gz IJLAOIYOCXTRTF-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN Cc1n[nH]c(SCc2sc(C)nc2C)n1 ZINC001252097224 968578839 /nfs/dbraw/zinc/57/88/39/968578839.db2.gz IJLAOIYOCXTRTF-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN Cc1ccc(S(=O)(=O)Nc2ccoc2)cc1 ZINC001252102541 968585757 /nfs/dbraw/zinc/58/57/57/968585757.db2.gz NVVCYXYQUHERSO-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN O=c1cccc(CN2CCc3ccccc3C2)[nH]1 ZINC001207063755 968590798 /nfs/dbraw/zinc/59/07/98/968590798.db2.gz CBCDOSMSDYKORY-UHFFFAOYSA-N 0 1 240.306 2.346 20 0 BEADMN CCCC[C@@H](O)CN[C@H](C)c1nccs1 ZINC001252112035 968594958 /nfs/dbraw/zinc/59/49/58/968594958.db2.gz HZHAZWMJFYRPKY-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN CCCC[C@H](O)CNCc1cn(C(C)C)cn1 ZINC001252116750 968602589 /nfs/dbraw/zinc/60/25/89/968602589.db2.gz QQKSKYLXZKRCHO-ZDUSSCGKSA-N 0 1 239.363 2.105 20 0 BEADMN CCOCC1CCN(Cc2cnc(C)cn2)CC1 ZINC001207078751 968613283 /nfs/dbraw/zinc/61/32/83/968613283.db2.gz OJHMUONCWAJNCN-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CCCO[C@H]1CCN(Cc2c(C)noc2C)C1 ZINC001207137144 968647463 /nfs/dbraw/zinc/64/74/63/968647463.db2.gz OKEMCRNURYCGRJ-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN Cc1cc(-c2cc3[nH]nnc3cc2F)ccn1 ZINC001240717136 968655520 /nfs/dbraw/zinc/65/55/20/968655520.db2.gz VEHGRCBTHKMWRM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cncc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001207155243 968664740 /nfs/dbraw/zinc/66/47/40/968664740.db2.gz MYSDMCBGGVZSIX-CABCVRRESA-N 0 1 246.354 2.391 20 0 BEADMN C[C@@H]1CN(CCOCc2ccccc2)C[C@@H]1F ZINC001207228713 968687916 /nfs/dbraw/zinc/68/79/16/968687916.db2.gz SHLUFKQOKLGFCY-OCCSQVGLSA-N 0 1 237.318 2.493 20 0 BEADMN FC1CN(C2CN(CCC3CCCCC3)C2)C1 ZINC001207254957 968697643 /nfs/dbraw/zinc/69/76/43/968697643.db2.gz QTUBHHAADCJRQS-UHFFFAOYSA-N 0 1 240.366 2.295 20 0 BEADMN CC1=CC[C@H](CCN2CC(C)(O)C2)C1(C)C ZINC001207267259 968702858 /nfs/dbraw/zinc/70/28/58/968702858.db2.gz CWERTSVGRGSRGA-GFCCVEGCSA-N 0 1 223.360 2.436 20 0 BEADMN CC1(C)C[C@@H](C[N@H+]2C[C@H]3CC[C@@H]2CO3)CCO1 ZINC001207371505 968747727 /nfs/dbraw/zinc/74/77/27/968747727.db2.gz ORNUQQTYXIUPKK-YNEHKIRRSA-N 0 1 239.359 2.055 20 0 BEADMN COc1cccc(CCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC001207426234 968765354 /nfs/dbraw/zinc/76/53/54/968765354.db2.gz YMAOTJFPIIJDMA-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN Cc1cc(-c2cc3nc[nH]c3cc2F)n(C)n1 ZINC001240861804 968777481 /nfs/dbraw/zinc/77/74/81/968777481.db2.gz YQWFDGLWYIOMDM-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CC1(CO)CN(CCCc2ccccc2F)C1 ZINC001207489514 968803978 /nfs/dbraw/zinc/80/39/78/968803978.db2.gz CDBQCAGNUCLAKV-UHFFFAOYSA-N 0 1 237.318 2.073 20 0 BEADMN Fc1ccccc1CCN1CCn2nccc2C1 ZINC001207503525 968805578 /nfs/dbraw/zinc/80/55/78/968805578.db2.gz YBSJIUPEXQDIGO-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Cc1cccc(CCN(C)C2(C)COC2)c1 ZINC001207538306 968817928 /nfs/dbraw/zinc/81/79/28/968817928.db2.gz NWYUEWMMFQPXSW-UHFFFAOYSA-N 0 1 219.328 2.258 20 0 BEADMN COc1cccc(CCCN2C[C@@H]3C[C@H]2CO3)c1 ZINC001207568977 968820210 /nfs/dbraw/zinc/82/02/10/968820210.db2.gz UCTIMNHBAOZUIW-ZFWWWQNUSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccc(CCCN2CCOC[C@@H]2C)cc1 ZINC001207572294 968822892 /nfs/dbraw/zinc/82/28/92/968822892.db2.gz QHDMNZYLQOTEKB-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN CCCN(CC)Cn1cc(Br)cn1 ZINC000379356274 968853539 /nfs/dbraw/zinc/85/35/39/968853539.db2.gz NMXMUXQMPXZFIO-UHFFFAOYSA-N 0 1 246.152 2.335 20 0 BEADMN CN(Cc1ccon1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207630585 968849996 /nfs/dbraw/zinc/84/99/96/968849996.db2.gz WRKDXEFFENPWMC-QJPTWQEYSA-N 0 1 218.300 2.319 20 0 BEADMN COc1cc(CN(C)C[C@@H]2C[C@@H]2C)sn1 ZINC001207665119 968855073 /nfs/dbraw/zinc/85/50/73/968855073.db2.gz IFPBSXYPTUDMKA-IUCAKERBSA-N 0 1 226.345 2.240 20 0 BEADMN C[C@@H](CCCC(C)(C)O)CCN(C)C1COC1 ZINC001207671006 968858018 /nfs/dbraw/zinc/85/80/18/968858018.db2.gz PUMKBOAJYXLXGI-LBPRGKRZSA-N 0 1 243.391 2.284 20 0 BEADMN CN(Cc1cn(C2CC2)cn1)CC1CCC1 ZINC001207724530 968866748 /nfs/dbraw/zinc/86/67/48/968866748.db2.gz ZRULCQJJMWSJRS-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN Cc1c[nH]c(=O)c(CN[C@@H](C)c2ccccn2)c1 ZINC001207730256 968868208 /nfs/dbraw/zinc/86/82/08/968868208.db2.gz VKKLKZXEXPVZKE-NSHDSACASA-N 0 1 243.310 2.341 20 0 BEADMN Cc1cccc2c1CN(C[C@@H]1CCCO1)C2 ZINC001207846214 968893794 /nfs/dbraw/zinc/89/37/94/968893794.db2.gz BEVCRJNUZDMYKR-ZDUSSCGKSA-N 0 1 217.312 2.490 20 0 BEADMN C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n[n-]1)C1CCC1 ZINC001207872735 968911442 /nfs/dbraw/zinc/91/14/42/968911442.db2.gz GZXJCAKNVSJIBB-ZCFIWIBFSA-N 0 1 248.252 2.102 20 0 BEADMN CO[C@H]1CN(C[C@@H](C)c2ccccc2)C[C@@H]1F ZINC001207900214 968917486 /nfs/dbraw/zinc/91/74/86/968917486.db2.gz YEOPFZIHSBBQLE-XBFCOCLRSA-N 0 1 237.318 2.459 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1ccc[nH]c1=O ZINC001241119527 968936165 /nfs/dbraw/zinc/93/61/65/968936165.db2.gz RZMLAWUKVHOLIS-UHFFFAOYSA-N 0 1 226.239 2.034 20 0 BEADMN CCC[C@@H](O)CNc1nc(C)ccc1C ZINC001252775015 968943879 /nfs/dbraw/zinc/94/38/79/968943879.db2.gz CWHPLUVDUJBWTM-LLVKDONJSA-N 0 1 208.305 2.271 20 0 BEADMN Cc1cc(F)cnc1C1=CCN(C)CC1 ZINC001241307383 968970625 /nfs/dbraw/zinc/97/06/25/968970625.db2.gz AIOUGJCSJPCULC-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN c1cnn(CCCN2Cc3ccccc3C2)c1 ZINC001208078054 968980310 /nfs/dbraw/zinc/98/03/10/968980310.db2.gz AXUROKQVQRNSNG-UHFFFAOYSA-N 0 1 227.311 2.289 20 0 BEADMN CC/C=C\CCCN1CCN(C(=O)CC)CC1 ZINC001208128307 969023306 /nfs/dbraw/zinc/02/33/06/969023306.db2.gz BRUWXFVSQOMEMN-WAYWQWQTSA-N 0 1 238.375 2.287 20 0 BEADMN CC/C=C\CCC[N@H+]1CCC[C@H]1C(=O)OC ZINC001208134558 969034053 /nfs/dbraw/zinc/03/40/53/969034053.db2.gz LRDODDFWMMETOM-RXNFCKPNSA-N 0 1 225.332 2.370 20 0 BEADMN CC/C=C\CCCN1CCC[C@H]1C(=O)OC ZINC001208134558 969034068 /nfs/dbraw/zinc/03/40/68/969034068.db2.gz LRDODDFWMMETOM-RXNFCKPNSA-N 0 1 225.332 2.370 20 0 BEADMN CC/C=C\CCCN1CC(=O)N2CCC[C@@H]2C1 ZINC001208136372 969043735 /nfs/dbraw/zinc/04/37/35/969043735.db2.gz WJHSUWNFAHFMRC-DHCBQETCSA-N 0 1 236.359 2.039 20 0 BEADMN CN1CCC=C(c2cc(F)c3nccnc3c2)C1 ZINC001241570402 969058762 /nfs/dbraw/zinc/05/87/62/969058762.db2.gz HJFNETUIZKMBFF-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN(C)c1nccnc1-c1ccc2[nH]cnc2c1 ZINC001241685910 969083564 /nfs/dbraw/zinc/08/35/64/969083564.db2.gz SUHJUFGBSKOYDU-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN C[C@@H](NC[C@](C)(O)c1ccccc1)c1ccno1 ZINC001253124610 969094843 /nfs/dbraw/zinc/09/48/43/969094843.db2.gz JNRJFLYZJZXRRB-RISCZKNCSA-N 0 1 246.310 2.233 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1ccno1 ZINC001208201933 969126546 /nfs/dbraw/zinc/12/65/46/969126546.db2.gz QCMWKHRFRJSYDC-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN Fc1cccc(CCN2CCn3cncc3C2)c1 ZINC001208198497 969126783 /nfs/dbraw/zinc/12/67/83/969126783.db2.gz IIQAGWSIBJHUCG-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CCN(CCc1cccc(F)c1)C1COC1 ZINC001208198452 969126916 /nfs/dbraw/zinc/12/69/16/969126916.db2.gz HHPWBYOPZURJDX-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN COc1cc(Cl)ccc1-c1cnc(CN)nc1 ZINC001241897261 969137133 /nfs/dbraw/zinc/13/71/33/969137133.db2.gz KLQCOWDILAKKGI-UHFFFAOYSA-N 0 1 249.701 2.264 20 0 BEADMN CC/C=C/CNCc1c(Cl)c(C)nn1C ZINC000384770437 969190164 /nfs/dbraw/zinc/19/01/64/969190164.db2.gz BRRQMMLIXJPBFX-AATRIKPKSA-N 0 1 227.739 2.438 20 0 BEADMN Cc1nc(CN2CCc3cn[nH]c3C2)c(C)s1 ZINC001253499223 969194369 /nfs/dbraw/zinc/19/43/69/969194369.db2.gz NZSAHVXWBWSMPK-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CNc1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001242070192 969196860 /nfs/dbraw/zinc/19/68/60/969196860.db2.gz OVZDGQUQQONSHR-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CCCCC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC001253520182 969197185 /nfs/dbraw/zinc/19/71/85/969197185.db2.gz UMPOQENSZAMAHM-FRRDWIJNSA-N 0 1 229.364 2.037 20 0 BEADMN CCCCC[C@H](O)CNc1[nH]nc2ncccc21 ZINC001253519734 969198023 /nfs/dbraw/zinc/19/80/23/969198023.db2.gz GBVVZGPVJSYRHR-JTQLQIEISA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@@H](O)CNc1n[nH]c2cccnc21 ZINC001253519389 969198153 /nfs/dbraw/zinc/19/81/53/969198153.db2.gz DTQSMTXOGCUJIM-SNVBAGLBSA-N 0 1 248.330 2.311 20 0 BEADMN C[C@@H](CN1CCO[C@@H](C)C1)OCc1ccccc1 ZINC001208701502 969198461 /nfs/dbraw/zinc/19/84/61/969198461.db2.gz UHMTVRNUOHFWHM-KBPBESRZSA-N 0 1 249.354 2.312 20 0 BEADMN CCCCC[C@@H](O)CN1CCC[C@H](F)C1 ZINC001253532667 969205708 /nfs/dbraw/zinc/20/57/08/969205708.db2.gz LKRAMBRJOFOBJI-NWDGAFQWSA-N 0 1 217.328 2.362 20 0 BEADMN CCCCC[C@@H](O)CN1CCc2ncccc2C1 ZINC001253534962 969207490 /nfs/dbraw/zinc/20/74/90/969207490.db2.gz GGIMYUSBPPUQJQ-CQSZACIVSA-N 0 1 248.370 2.381 20 0 BEADMN CC/C=C\CCN1C[C@@H](OC)[C@@H](F)C1 ZINC001208725175 969208267 /nfs/dbraw/zinc/20/82/67/969208267.db2.gz HZUSMKWWGQTQJB-NRFYAWERSA-N 0 1 201.285 2.011 20 0 BEADMN CC/C=C\CCN1CCn2nccc2C1 ZINC001208735134 969221537 /nfs/dbraw/zinc/22/15/37/969221537.db2.gz UJEIWBVUMHHSRM-ARJAWSKDSA-N 0 1 205.305 2.055 20 0 BEADMN CO[C@H]1CN(CCCC(C)C)C[C@@H]1F ZINC001208734457 969224632 /nfs/dbraw/zinc/22/46/32/969224632.db2.gz ZFEPXXITRBBZFJ-QWRGUYRKSA-N 0 1 203.301 2.091 20 0 BEADMN Cc1ncc(NC2=CC[N@@H+](C)CC2)c(Cl)n1 ZINC001208742242 969230452 /nfs/dbraw/zinc/23/04/52/969230452.db2.gz UHOORLYFICMMKC-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN Cc1ncc(NC2=CCN(C)CC2)c(Cl)n1 ZINC001208742242 969230461 /nfs/dbraw/zinc/23/04/61/969230461.db2.gz UHOORLYFICMMKC-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN Cc1cnc(N=C2CCN(C)CC2)c(Cl)n1 ZINC001208742727 969232559 /nfs/dbraw/zinc/23/25/59/969232559.db2.gz XHZRUCUJLWYLTE-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN C[C@@H]1COCCN1CCCc1ccc(F)cc1 ZINC001208767796 969234889 /nfs/dbraw/zinc/23/48/89/969234889.db2.gz LOFLROHNUHJZOB-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN CC(=O)c1cc(NC2=CCN(C)CC2)cnc1C ZINC001208801940 969243418 /nfs/dbraw/zinc/24/34/18/969243418.db2.gz DRQYDPBKHKZMAA-UHFFFAOYSA-N 0 1 245.326 2.224 20 0 BEADMN C[C@]1(F)CCN(C[C@@H]2CCC=CO2)C[C@H]1F ZINC001208876386 969266105 /nfs/dbraw/zinc/26/61/05/969266105.db2.gz GCTDFRVSLHXITM-TUAOUCFPSA-N 0 1 231.286 2.451 20 0 BEADMN Cc1cnc2c(c1)CN(C[C@@H]1CCC=CO1)CC2 ZINC001208886372 969274526 /nfs/dbraw/zinc/27/45/26/969274526.db2.gz VDLHDUJOCLHJSQ-AWEZNQCLSA-N 0 1 244.338 2.441 20 0 BEADMN Oc1cc(F)ccc1-c1cccc2[nH]nnc21 ZINC001242218384 969314414 /nfs/dbraw/zinc/31/44/14/969314414.db2.gz BXUFHCODQWLMNL-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc2cc(-n3c(C)cnc3CN)ccc2[nH]1 ZINC001169028330 969348042 /nfs/dbraw/zinc/34/80/42/969348042.db2.gz ATJYEVKLNJZIFZ-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN CCc1cc(OC)ccc1-n1c(C)cnc1CN ZINC001169029126 969349988 /nfs/dbraw/zinc/34/99/88/969349988.db2.gz UTYAPTBMKLODRA-UHFFFAOYSA-N 0 1 245.326 2.210 20 0 BEADMN CO[C@H]1CCN(CCc2cc(F)cc(F)c2)C1 ZINC001209127785 969351664 /nfs/dbraw/zinc/35/16/64/969351664.db2.gz GNQBVQNRQFZOMO-ZDUSSCGKSA-N 0 1 241.281 2.228 20 0 BEADMN C[C@@H]1CCN(CCCc2cccnc2)CCC1=O ZINC001209171067 969369635 /nfs/dbraw/zinc/36/96/35/969369635.db2.gz BUAQDTVYMXXYPV-CYBMUJFWSA-N 0 1 246.354 2.315 20 0 BEADMN Cc1ccc(C)c(NC[C@H](O)C(C)C)n1 ZINC001253754304 969370922 /nfs/dbraw/zinc/37/09/22/969370922.db2.gz LDBRSLDITLJZLK-NSHDSACASA-N 0 1 208.305 2.127 20 0 BEADMN CC1(C)CN(CCCc2cccnc2)CCC1=O ZINC001209180283 969372516 /nfs/dbraw/zinc/37/25/16/969372516.db2.gz VLELFQBXBRAZIB-UHFFFAOYSA-N 0 1 246.354 2.315 20 0 BEADMN c1ccc(COCCCCN2CCOCC2)cc1 ZINC001209256676 969416313 /nfs/dbraw/zinc/41/63/13/969416313.db2.gz KXIFGXBMORZVDK-UHFFFAOYSA-N 0 1 249.354 2.316 20 0 BEADMN CCCc1nnc(-c2ccc3cncn3c2)o1 ZINC001253944782 969425110 /nfs/dbraw/zinc/42/51/10/969425110.db2.gz SOHMMVIIEIITDC-UHFFFAOYSA-N 0 1 228.255 2.337 20 0 BEADMN C[C@@H]1C[C@H](F)CN1CCOc1ccccc1 ZINC001209295382 969425534 /nfs/dbraw/zinc/42/55/34/969425534.db2.gz JQMPMCXXFXJYJS-NEPJUHHUSA-N 0 1 223.291 2.498 20 0 BEADMN CCCc1nnc(-c2ccn3cncc3c2)o1 ZINC001253944337 969428163 /nfs/dbraw/zinc/42/81/63/969428163.db2.gz HHJDDJVGXCQHDU-UHFFFAOYSA-N 0 1 228.255 2.337 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N(CCOc1ccccc1)C2 ZINC001209301265 969428936 /nfs/dbraw/zinc/42/89/36/969428936.db2.gz PMHVYSKXDCYTHI-ZFWWWQNUSA-N 0 1 247.338 2.319 20 0 BEADMN CCCc1nnc([C@@H]2CCc3[nH]cnc3C2)o1 ZINC001253958125 969429576 /nfs/dbraw/zinc/42/95/76/969429576.db2.gz UTACGDOEZDLPSW-MRVPVSSYSA-N 0 1 232.287 2.018 20 0 BEADMN CC(=O)[C@@H]1CCCN1CCOc1ccccc1 ZINC001209299537 969429759 /nfs/dbraw/zinc/42/97/59/969429759.db2.gz BKWAJUJGQWSJKK-AWEZNQCLSA-N 0 1 233.311 2.119 20 0 BEADMN C[C@@H]1CC(CN2CC3(C2)CCCO3)C[C@@H](C)O1 ZINC001209381756 969447167 /nfs/dbraw/zinc/44/71/67/969447167.db2.gz GRNIPRRPESEURW-VXGBXAGGSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1C[C@@H](CN(C)Cc2ccon2)C[C@H](C)O1 ZINC001209384504 969457187 /nfs/dbraw/zinc/45/71/87/969457187.db2.gz AJMUUIPJRUBUPK-ZSBIGDGJSA-N 0 1 238.331 2.310 20 0 BEADMN C[C@H]1CC(CN2CCC(=O)C[C@@H]2C)C[C@H](C)O1 ZINC001209391467 969462783 /nfs/dbraw/zinc/46/27/83/969462783.db2.gz TVJIQDKSLYMUTC-SRVKXCTJSA-N 0 1 239.359 2.243 20 0 BEADMN CCCCOC1CN(CCC(C)(C)OC)C1 ZINC001209407941 969472579 /nfs/dbraw/zinc/47/25/79/969472579.db2.gz VYVFALCUHNKBPF-UHFFFAOYSA-N 0 1 229.364 2.302 20 0 BEADMN c1nc(CN2CCC[C@@H]3C[C@@H]32)cc2c1OCCC2 ZINC001209506238 969528103 /nfs/dbraw/zinc/52/81/03/969528103.db2.gz LTPLURLXRULFAT-RISCZKNCSA-N 0 1 244.338 2.391 20 0 BEADMN Cn1nc2ccccc2c1CN1CC(C)(C)C1 ZINC001209536758 969532912 /nfs/dbraw/zinc/53/29/12/969532912.db2.gz FHXRSCMZBLBPFX-UHFFFAOYSA-N 0 1 229.327 2.415 20 0 BEADMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001209564850 969546736 /nfs/dbraw/zinc/54/67/36/969546736.db2.gz GYWSVTXQULRALQ-NSHDSACASA-N 0 1 224.304 2.064 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1ccon1 ZINC001209564850 969546742 /nfs/dbraw/zinc/54/67/42/969546742.db2.gz GYWSVTXQULRALQ-NSHDSACASA-N 0 1 224.304 2.064 20 0 BEADMN FC1(F)CCC(N2CCn3nccc3C2)CC1 ZINC001254226109 969548808 /nfs/dbraw/zinc/54/88/08/969548808.db2.gz SOKHUZFPNCHTMP-UHFFFAOYSA-N 0 1 241.285 2.277 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ccc(C)[nH]2)C1 ZINC001209574080 969556169 /nfs/dbraw/zinc/55/61/69/969556169.db2.gz DWQIMCHFZMXSLG-GFCCVEGCSA-N 0 1 220.316 2.124 20 0 BEADMN CSCCN(C)Cc1nn(C)c2ccccc12 ZINC001209585248 969560239 /nfs/dbraw/zinc/56/02/39/969560239.db2.gz OYXDMWHNWVOVOY-UHFFFAOYSA-N 0 1 249.383 2.368 20 0 BEADMN CCN(Cc1c(C)[nH]c2ncccc12)C1COC1 ZINC001209590267 969565007 /nfs/dbraw/zinc/56/50/07/969565007.db2.gz KIMPBQBYPRXGFA-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN CN(Cc1ccc(F)cc1)Cc1cnccc1N ZINC001209727954 969583118 /nfs/dbraw/zinc/58/31/18/969583118.db2.gz OXQPGKYMJNTZDQ-UHFFFAOYSA-N 0 1 245.301 2.265 20 0 BEADMN Nc1ccncc1CN1CCc2sccc2C1 ZINC001209729653 969589751 /nfs/dbraw/zinc/58/97/51/969589751.db2.gz QINYJIDJMRYKSU-UHFFFAOYSA-N 0 1 245.351 2.114 20 0 BEADMN Fc1ccc2c(c1)CN([C@@H]1CCCOC1)C2 ZINC001254382432 969595703 /nfs/dbraw/zinc/59/57/03/969595703.db2.gz KFSPXTBQIRCRCY-CYBMUJFWSA-N 0 1 221.275 2.320 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@H]1CCCOC1 ZINC001254386296 969603299 /nfs/dbraw/zinc/60/32/99/969603299.db2.gz NXRNBOMPJLYSOS-RYUDHWBXSA-N 0 1 220.316 2.044 20 0 BEADMN c1coc(CNC2CCC3(CC3)CC2)n1 ZINC001254432152 969618807 /nfs/dbraw/zinc/61/88/07/969618807.db2.gz WTRKPLWCOGWULK-UHFFFAOYSA-N 0 1 206.289 2.487 20 0 BEADMN NCc1nccn1C1CCC2(CC2)CC1 ZINC001254432410 969622660 /nfs/dbraw/zinc/62/26/60/969622660.db2.gz ICMGRIXQLZMRGS-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN c1nc2ccc(Nc3cnoc3)cc2[nH]1 ZINC001209842437 969651334 /nfs/dbraw/zinc/65/13/34/969651334.db2.gz JZMITCLPAIRDOB-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1cnc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209842459 969651795 /nfs/dbraw/zinc/65/17/95/969651795.db2.gz KLNXDWFFSXIWDG-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1ccc(Nc2ccc3nc[nH]c3c2)nn1 ZINC001209841649 969651959 /nfs/dbraw/zinc/65/19/59/969651959.db2.gz ZPONWPHFZVMVEO-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cc2cc[nH+]c(NCc3cc(=O)[n-]o3)c2[nH]1 ZINC001169481353 969652951 /nfs/dbraw/zinc/65/29/51/969652951.db2.gz MRSPPGNFQMYDEN-UHFFFAOYSA-N 0 1 244.254 2.177 20 0 BEADMN Nc1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209842858 969652782 /nfs/dbraw/zinc/65/27/82/969652782.db2.gz QXMMOUHUGGQPGP-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN OCc1cccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209848297 969660593 /nfs/dbraw/zinc/66/05/93/969660593.db2.gz LGKUUPJCJXPLRH-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COc1ccc(CNc2nc(C)ccc2C)nn1 ZINC001169466498 969669495 /nfs/dbraw/zinc/66/94/95/969669495.db2.gz RZXBLOSHHQIFER-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN Cc1cc(N)ncc1Nc1noc(C(C)(C)C)n1 ZINC001209962468 969725123 /nfs/dbraw/zinc/72/51/23/969725123.db2.gz VUDIXYCORFPZNN-UHFFFAOYSA-N 0 1 247.302 2.396 20 0 BEADMN Cc1cc(N)ncc1Nc1cc([C@@H](C)O)ccn1 ZINC001209965882 969729273 /nfs/dbraw/zinc/72/92/73/969729273.db2.gz JEIGHKIVBHQKTH-SECBINFHSA-N 0 1 244.298 2.164 20 0 BEADMN COc1cc(F)ncc1Nc1cnc(N)cc1C ZINC001209966297 969730702 /nfs/dbraw/zinc/73/07/02/969730702.db2.gz WNUBGJLQRRBGFY-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN CCn1cc(Nc2cnc(N)cc2C)c(C)n1 ZINC001209966582 969731346 /nfs/dbraw/zinc/73/13/46/969731346.db2.gz AUJXVVYFMBWOHD-UHFFFAOYSA-N 0 1 231.303 2.241 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(CO)cc1 ZINC001209966889 969732073 /nfs/dbraw/zinc/73/20/73/969732073.db2.gz IIGSZOBMKKXZCL-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN CSc1cc(Nc2cnc(N)cc2C)n(C)n1 ZINC001209966557 969733208 /nfs/dbraw/zinc/73/32/08/969733208.db2.gz GGBCSJLRSORSQZ-UHFFFAOYSA-N 0 1 249.343 2.171 20 0 BEADMN Cc1cnc(Nc2cnc(N)cc2C)c(N)c1 ZINC001209967142 969736104 /nfs/dbraw/zinc/73/61/04/969736104.db2.gz IIRMKQBJOLZVCP-UHFFFAOYSA-N 0 1 229.287 2.001 20 0 BEADMN CC(=O)c1ccncc1Nc1cnc(N)cc1C ZINC001209968285 969736374 /nfs/dbraw/zinc/73/63/74/969736374.db2.gz SZDDWKVHAKDHFU-UHFFFAOYSA-N 0 1 242.282 2.313 20 0 BEADMN Cc1cc(N)ncc1Nc1cnccc1F ZINC001209968332 969736804 /nfs/dbraw/zinc/73/68/04/969736804.db2.gz YLJPTISLQOPLCU-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Nc1cncn1-c1cc(Cl)c(F)cc1F ZINC001210109025 969804076 /nfs/dbraw/zinc/80/40/76/969804076.db2.gz DNZYNNITWRBOOD-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN Cc1ccnc(N[C@H]2CCCOC2)c1C ZINC001169662990 969804080 /nfs/dbraw/zinc/80/40/80/969804080.db2.gz AWHOERVKZXZHQV-NSHDSACASA-N 0 1 206.289 2.289 20 0 BEADMN Fc1cc2[nH]cnc2cc1N[C@H]1CCCOC1 ZINC001169668324 969805983 /nfs/dbraw/zinc/80/59/83/969805983.db2.gz UGHJEYOBBIXEQN-QMMMGPOBSA-N 0 1 235.262 2.293 20 0 BEADMN Cc1ccc(C)c(NCc2ncccc2O)n1 ZINC001169726926 969819594 /nfs/dbraw/zinc/81/95/94/969819594.db2.gz GLVVOQQWTZXNSS-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN CO[C@@H](C)CNc1ncc(C)c2cc[nH]c21 ZINC001169773253 969847818 /nfs/dbraw/zinc/84/78/18/969847818.db2.gz VNPBJKJYQMOWRG-VIFPVBQESA-N 0 1 219.288 2.318 20 0 BEADMN Cn1cncc1Nc1ccc(OC(F)F)nc1 ZINC001210301191 969859941 /nfs/dbraw/zinc/85/99/41/969859941.db2.gz OTEXIBFZRFCEGJ-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN CC(C)n1cc(-n2c(N)nc3ccccc32)cn1 ZINC001210317406 969864468 /nfs/dbraw/zinc/86/44/68/969864468.db2.gz AMYIMCGPQDSLMP-UHFFFAOYSA-N 0 1 241.298 2.385 20 0 BEADMN CC(C)n1cc(Nc2nonc2C2CC2)cn1 ZINC001210320744 969865620 /nfs/dbraw/zinc/86/56/20/969865620.db2.gz SALLSURJZIQQHV-UHFFFAOYSA-N 0 1 233.275 2.468 20 0 BEADMN CCc1ncccc1Nc1c(C)ncn1C ZINC001210466278 969895713 /nfs/dbraw/zinc/89/57/13/969895713.db2.gz ZRGWRRSLRBUHQK-UHFFFAOYSA-N 0 1 216.288 2.430 20 0 BEADMN CC(C)c1nnc(Nc2cncc(N(C)C)c2)o1 ZINC001210469566 969898168 /nfs/dbraw/zinc/89/81/68/969898168.db2.gz BMAGFDBGSALKFQ-UHFFFAOYSA-N 0 1 247.302 2.398 20 0 BEADMN CCOc1ccnc(NC(C)(C)COC)c1 ZINC001156459327 969898300 /nfs/dbraw/zinc/89/83/00/969898300.db2.gz JMSCKIQDURJTAQ-UHFFFAOYSA-N 0 1 224.304 2.317 20 0 BEADMN Cc1nccnc1-c1cccc(F)c1O ZINC001242348112 969899618 /nfs/dbraw/zinc/89/96/18/969899618.db2.gz LTZGIEPHAIHWCJ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN COCOc1ccc(Nc2cncn2C)c(C)c1 ZINC001210491456 969908307 /nfs/dbraw/zinc/90/83/07/969908307.db2.gz VIALJLRUGFKMGW-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN C1N(C2CCSCC2)CC12CCCCO2 ZINC001255087632 969918812 /nfs/dbraw/zinc/91/88/12/969918812.db2.gz FRFRSQYLUIGNKU-UHFFFAOYSA-N 0 1 227.373 2.137 20 0 BEADMN COc1cc(F)c(F)cc1Nc1nccn1C ZINC001210545201 969931631 /nfs/dbraw/zinc/93/16/31/969931631.db2.gz SSUGQVJRZGREMB-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN COc1cc(F)c(F)cc1-n1cnc(C)c1N ZINC001210548657 969933045 /nfs/dbraw/zinc/93/30/45/969933045.db2.gz VTQAZRPEIZDEAG-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CCc1nnc(-c2cc(-c3ccncc3)n[nH]2)o1 ZINC001255114433 969940872 /nfs/dbraw/zinc/94/08/72/969940872.db2.gz QTVDOCZJMBMCKA-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000689943747 969985380 /nfs/dbraw/zinc/98/53/80/969985380.db2.gz DIEPRJKJHMRBDN-SECBINFHSA-N 0 1 227.329 2.086 20 0 BEADMN Cc1oncc1-c1cc2[nH]nnc2cc1F ZINC001242602293 970010577 /nfs/dbraw/zinc/01/05/77/970010577.db2.gz GNRKKNAJAHZGQO-UHFFFAOYSA-N 0 1 218.191 2.060 20 0 BEADMN O=C(CN[C@H]1CCSC1)c1ccccc1F ZINC001255269287 970019672 /nfs/dbraw/zinc/01/96/72/970019672.db2.gz BNMDVZOUSNTJOE-VIFPVBQESA-N 0 1 239.315 2.104 20 0 BEADMN O=C1c2ccccc2CC[C@H]1N[C@@H]1CCSC1 ZINC001255278963 970028789 /nfs/dbraw/zinc/02/87/89/970028789.db2.gz KXOLGJYXLQJZMA-DGCLKSJQSA-N 0 1 247.363 2.279 20 0 BEADMN Cc1ncn(-c2cccc(OC3CC3)c2)c1N ZINC001210860911 970056380 /nfs/dbraw/zinc/05/63/80/970056380.db2.gz HEHLVTMZRNFWND-UHFFFAOYSA-N 0 1 229.283 2.304 20 0 BEADMN C/C=C(\C)c1ccc(N2CCN(C)CC2)cn1 ZINC001242759506 970059075 /nfs/dbraw/zinc/05/90/75/970059075.db2.gz LHCFLFPNYYQTQV-UUILKARUSA-N 0 1 231.343 2.257 20 0 BEADMN CC1(C)CCC(n2ccnc2CN)CC1 ZINC001255295895 970061053 /nfs/dbraw/zinc/06/10/53/970061053.db2.gz SJAIGSLUBZPMKJ-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN CC1=Cc2cccc(NC[C@@H]3COCCN3)c2C1 ZINC001170043020 970063431 /nfs/dbraw/zinc/06/34/31/970063431.db2.gz DHYRIKBROFBMCK-CYBMUJFWSA-N 0 1 244.338 2.046 20 0 BEADMN FC(F)c1cccc(NC[C@H]2COCCN2)c1 ZINC001170044626 970072968 /nfs/dbraw/zinc/07/29/68/970072968.db2.gz NITRFNXFBVBTRL-NSHDSACASA-N 0 1 242.269 2.025 20 0 BEADMN CCCCc1cccc(NC[C@@H]2COCCN2)c1 ZINC001170047540 970083910 /nfs/dbraw/zinc/08/39/10/970083910.db2.gz NBIMKOPZASFTQA-OAHLLOKOSA-N 0 1 248.370 2.430 20 0 BEADMN CCCC[C@@H](C)N1CCN(C(=O)OCC)CC1 ZINC001255328867 970108192 /nfs/dbraw/zinc/10/81/92/970108192.db2.gz FJCIOULTFZGADW-GFCCVEGCSA-N 0 1 242.363 2.339 20 0 BEADMN CCCC[C@H](C)N1CCN(C(C)C)C(=O)C1 ZINC001255332437 970115135 /nfs/dbraw/zinc/11/51/35/970115135.db2.gz PAWIGAMPZDTQNG-LBPRGKRZSA-N 0 1 226.364 2.118 20 0 BEADMN CCCCCN1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001112617722 970123674 /nfs/dbraw/zinc/12/36/74/970123674.db2.gz LQRBIVMBPQWVHV-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CCCCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001112622455 970124764 /nfs/dbraw/zinc/12/47/64/970124764.db2.gz NPPWEQXIQVZHOK-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN Cc1ncn(C)c1Nc1cnn2ccccc12 ZINC001211092841 970143448 /nfs/dbraw/zinc/14/34/48/970143448.db2.gz IHPAJROCEVTXDK-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Cc1nnc(CN)n1[C@H](C)CCCC(C)C ZINC001170073903 970167963 /nfs/dbraw/zinc/16/79/63/970167963.db2.gz PJAFNSQPSFEESY-SNVBAGLBSA-N 0 1 224.352 2.433 20 0 BEADMN COC1CCC(N2CC3(C2)CCCCO3)CC1 ZINC001255457581 970186381 /nfs/dbraw/zinc/18/63/81/970186381.db2.gz XNCIIROSKYORNA-UHFFFAOYSA-N 0 1 239.359 2.199 20 0 BEADMN COc1ccc(Nc2cncn2C)c(C(C)=O)c1 ZINC001211253505 970198607 /nfs/dbraw/zinc/19/86/07/970198607.db2.gz ITUVCYNPSASVQZ-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN Cn1cncc1Nc1ccc2o[nH]c(=O)c2c1 ZINC001211251487 970199991 /nfs/dbraw/zinc/19/99/91/970199991.db2.gz HKHSCAQKFBRRLQ-UHFFFAOYSA-N 0 1 230.227 2.011 20 0 BEADMN Cc1cc2nsnc2cc1Nc1cncn1C ZINC001211252419 970200061 /nfs/dbraw/zinc/20/00/61/970200061.db2.gz KZHTWHGXXIMBPS-UHFFFAOYSA-N 0 1 245.311 2.477 20 0 BEADMN COc1cnccc1Nc1ccc(C)nc1C ZINC001211258256 970202537 /nfs/dbraw/zinc/20/25/37/970202537.db2.gz WJOAMVWDZNHWPL-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN COc1cnccc1Nc1cc(F)c(C)cc1N ZINC001211260458 970206475 /nfs/dbraw/zinc/20/64/75/970206475.db2.gz MSBUBYIVUAXEQB-UHFFFAOYSA-N 0 1 247.273 2.285 20 0 BEADMN CCOc1cc(Nc2ccncc2OC)ccn1 ZINC001211260597 970208546 /nfs/dbraw/zinc/20/85/46/970208546.db2.gz QUYPAGSINCQTBT-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN COc1cnccc1Nc1ccc(O)cc1C ZINC001211263438 970209122 /nfs/dbraw/zinc/20/91/22/970209122.db2.gz REIYXPGAOWQFMN-UHFFFAOYSA-N 0 1 230.267 2.270 20 0 BEADMN COc1cnccc1Nc1cc(CO)ccc1C ZINC001211262197 970213534 /nfs/dbraw/zinc/21/35/34/970213534.db2.gz BOPBBJPDWUEYCU-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN CC(C)CCC[C@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001170087868 970221961 /nfs/dbraw/zinc/22/19/61/970221961.db2.gz MPEGSAYRWMVSTP-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN Oc1cc(F)c(-c2cccn3cnnc23)cc1F ZINC001211349759 970244487 /nfs/dbraw/zinc/24/44/87/970244487.db2.gz GEAHECDPIYLKGD-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CC(C)(F)C(=O)Nc1ccc2cncn2c1 ZINC001157395723 970244558 /nfs/dbraw/zinc/24/45/58/970244558.db2.gz BGSVFAJWAPEQJH-UHFFFAOYSA-N 0 1 221.235 2.021 20 0 BEADMN O=c1occcc1-c1cc(F)c(O)cc1F ZINC001211359757 970254919 /nfs/dbraw/zinc/25/49/19/970254919.db2.gz KQLKEPFRSBPHNH-UHFFFAOYSA-N 0 1 224.162 2.291 20 0 BEADMN Nc1cncn1-c1ccc(F)c(Cl)c1F ZINC001213200608 970293243 /nfs/dbraw/zinc/29/32/43/970293243.db2.gz DZRJTYGNGSOIAH-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ncc(F)cn1 ZINC001170108606 970314621 /nfs/dbraw/zinc/31/46/21/970314621.db2.gz DKKIPMIREGKAKV-KKZNHRDASA-N 0 1 223.295 2.455 20 0 BEADMN COC[C@@H](C)NC(C)(C)C(=O)c1ccccc1 ZINC001255553978 970328163 /nfs/dbraw/zinc/32/81/63/970328163.db2.gz GBGWEIBAWLOOTE-LLVKDONJSA-N 0 1 235.327 2.272 20 0 BEADMN Cc1ncn(C)c1Nc1cncc(C)c1C ZINC001213527528 970347118 /nfs/dbraw/zinc/34/71/18/970347118.db2.gz QWZDRLYHBCVHNQ-UHFFFAOYSA-N 0 1 216.288 2.484 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2nnc3ccccn32)C1 ZINC001170128819 970383916 /nfs/dbraw/zinc/38/39/16/970383916.db2.gz AGAMRQHRHOSJOM-NEPJUHHUSA-N 0 1 244.342 2.350 20 0 BEADMN Nc1cncn1-c1cc(F)c(Cl)cc1F ZINC001213937817 970400129 /nfs/dbraw/zinc/40/01/29/970400129.db2.gz WLSSPAQHNDYUJM-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN C[C@@H]1CC[C@@H](N2CC(N3CCC(F)(F)C3)C2)C1 ZINC001170151200 970457512 /nfs/dbraw/zinc/45/75/12/970457512.db2.gz FTKRSAICZHHXNC-GHMZBOCLSA-N 0 1 244.329 2.200 20 0 BEADMN C[C@H]1CC[C@H](N2CC(N3CCC(F)(F)C3)C2)C1 ZINC001170151203 970459104 /nfs/dbraw/zinc/45/91/04/970459104.db2.gz FTKRSAICZHHXNC-QWRGUYRKSA-N 0 1 244.329 2.200 20 0 BEADMN COc1ncnc2c1CCN([C@@H]1CC[C@H](C)C1)C2 ZINC001170152234 970459718 /nfs/dbraw/zinc/45/97/18/970459718.db2.gz JTJHJEPYDVKJET-WDEREUQCSA-N 0 1 247.342 2.032 20 0 BEADMN C[C@@H]1CC[C@@H](N2CCN(C(C)(C)C)C(=O)C2)C1 ZINC001170152430 970467769 /nfs/dbraw/zinc/46/77/69/970467769.db2.gz LURVXDUCXAFGHV-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COCOc1ccc(C)cc1Nc1cncn1C ZINC001214236931 970477917 /nfs/dbraw/zinc/47/79/17/970477917.db2.gz JZPPIKWCROOAAW-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN CC[C@H]1C[C@H](NCc2nc(C)oc2C)CCO1 ZINC001170159736 970492516 /nfs/dbraw/zinc/49/25/16/970492516.db2.gz COCTVTAIWHHZIQ-NEPJUHHUSA-N 0 1 238.331 2.339 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2nc(C)oc2C)CCO1 ZINC001170159738 970494110 /nfs/dbraw/zinc/49/41/10/970494110.db2.gz COCTVTAIWHHZIQ-NWDGAFQWSA-N 0 1 238.331 2.339 20 0 BEADMN CC[C@@H]1C[C@@H](N2CC3(C2)CCCCO3)CCO1 ZINC001170208117 970582342 /nfs/dbraw/zinc/58/23/42/970582342.db2.gz OSQWGBISARBPGN-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H]1C[C@@H](NC2(c3ncccn3)CC2)CCO1 ZINC001170195159 970593243 /nfs/dbraw/zinc/59/32/43/970593243.db2.gz JCHFPMHQUBECQQ-RYUDHWBXSA-N 0 1 247.342 2.013 20 0 BEADMN COc1cccc(C[C@H](C)N2C=C(N)C=CC2)c1 ZINC001256153738 970672654 /nfs/dbraw/zinc/67/26/54/970672654.db2.gz LYPBMKOEFRHCGC-LBPRGKRZSA-N 0 1 244.338 2.298 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1cccc(OC)c1 ZINC001256150434 970676015 /nfs/dbraw/zinc/67/60/15/970676015.db2.gz BTAKQZPDKMJXOS-CYBMUJFWSA-N 0 1 249.378 2.111 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1cccc(OC)c1 ZINC001256150434 970676022 /nfs/dbraw/zinc/67/60/22/970676022.db2.gz BTAKQZPDKMJXOS-CYBMUJFWSA-N 0 1 249.378 2.111 20 0 BEADMN O=c1cc(-c2cccn3cncc23)cc[nH]1 ZINC001243427256 970684920 /nfs/dbraw/zinc/68/49/20/970684920.db2.gz LCRRTOZZTZRVLC-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN CCN([C@H](C)Cc1cccc(OC)c1)C1COC1 ZINC001256169068 970685323 /nfs/dbraw/zinc/68/53/23/970685323.db2.gz YPYDYYMAXSDTKG-GFCCVEGCSA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1cc(Cl)ccn1)[C@H]1CCCOC1 ZINC000401480500 970696682 /nfs/dbraw/zinc/69/66/82/970696682.db2.gz MWSXGMOQEPWRMX-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@]1(CO)CCCN(Cc2ccccc2F)C1 ZINC000305215011 970711446 /nfs/dbraw/zinc/71/14/46/970711446.db2.gz IBEJDPWMXUMZFF-AWEZNQCLSA-N 0 1 237.318 2.420 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(F)c2n[nH]cc21 ZINC001215373678 970726028 /nfs/dbraw/zinc/72/60/28/970726028.db2.gz YKHPVTPONAKMRL-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN CCOc1c(F)c(F)ccc1-n1cncc1N ZINC001215413106 970746316 /nfs/dbraw/zinc/74/63/16/970746316.db2.gz QKBKIXJZPBDBJD-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN Cc1nnc(S[C@@H](C)C(=O)c2ccco2)[nH]1 ZINC001327352684 972556982 /nfs/dbraw/zinc/55/69/82/972556982.db2.gz GJPWVVRNANFWKJ-LURJTMIESA-N 0 1 237.284 2.070 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)C(=O)c2ccco2)n1 ZINC001327352684 972556995 /nfs/dbraw/zinc/55/69/95/972556995.db2.gz GJPWVVRNANFWKJ-LURJTMIESA-N 0 1 237.284 2.070 20 0 BEADMN CC[C@H](C)CCCCC(=O)OCc1nnc[nH]1 ZINC001327476937 972586137 /nfs/dbraw/zinc/58/61/37/972586137.db2.gz UVKJCHRKRRFJRJ-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CC[C@@H](C)CCCCC(=O)OCc1nnc[nH]1 ZINC001327476938 972588658 /nfs/dbraw/zinc/58/86/58/972588658.db2.gz UVKJCHRKRRFJRJ-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN Cc1cccc(C2(NCc3nnc[nH]3)CCC2)c1 ZINC001327535839 972618545 /nfs/dbraw/zinc/61/85/45/972618545.db2.gz SUSNTLSWEIESDY-UHFFFAOYSA-N 0 1 242.326 2.282 20 0 BEADMN c1cc2ccc(CN3CCSCC3)nc2[nH]1 ZINC001144171607 972645756 /nfs/dbraw/zinc/64/57/56/972645756.db2.gz DIFKJUONBOLIDI-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN Cc1cccc2nc(N(C)CC3CN(C)C3)oc21 ZINC001327692054 972701489 /nfs/dbraw/zinc/70/14/89/972701489.db2.gz LTMNKWYWDFUMGT-UHFFFAOYSA-N 0 1 245.326 2.134 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CC[C@@H](C)C1 ZINC001144328171 972781840 /nfs/dbraw/zinc/78/18/40/972781840.db2.gz RWRCSZINEUOOPM-SNVBAGLBSA-N 0 1 236.315 2.033 20 0 BEADMN CCCCOC[C@@H](C)OCc1cnc[nH]1 ZINC001222999451 972795664 /nfs/dbraw/zinc/79/56/64/972795664.db2.gz CAYNSUSGEZSFDS-SNVBAGLBSA-N 0 1 212.293 2.132 20 0 BEADMN C[C@@H](Cc1ccco1)OCc1cnc[nH]1 ZINC001223007988 972797637 /nfs/dbraw/zinc/79/76/37/972797637.db2.gz TZXZBSRGVFHTSK-VIFPVBQESA-N 0 1 206.245 2.151 20 0 BEADMN CC(C)[C@@H](OCc1nn[nH]n1)c1ccccc1 ZINC001223026633 972805284 /nfs/dbraw/zinc/80/52/84/972805284.db2.gz DKJWDPGKZDKGSL-GFCCVEGCSA-N 0 1 232.287 2.114 20 0 BEADMN CCCCC[C@@H](CC)OCc1nn[nH]n1 ZINC001223030310 972812018 /nfs/dbraw/zinc/81/20/18/972812018.db2.gz VRNPZJPWSTWDRT-SECBINFHSA-N 0 1 212.297 2.075 20 0 BEADMN COc1ccc(CN2CCC[C@@H]3C[C@@H]32)nc1 ZINC001144433274 972819130 /nfs/dbraw/zinc/81/91/30/972819130.db2.gz AMDCRMIDTSUUDF-MFKMUULPSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1cc(CN2CCSC[C@H]2C2CC2)n[nH]1 ZINC001327951010 972824910 /nfs/dbraw/zinc/82/49/10/972824910.db2.gz AZLWBNIGCWTVDA-LBPRGKRZSA-N 0 1 237.372 2.046 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]1CF ZINC001144684953 972939253 /nfs/dbraw/zinc/93/92/53/972939253.db2.gz RIWTZPKUKGUQTM-MRVPVSSYSA-N 0 1 243.303 2.380 20 0 BEADMN Cc1cccnc1COC1CN(C(C)(C)C)C1 ZINC001223338921 972970998 /nfs/dbraw/zinc/97/09/98/972970998.db2.gz BMEXSFVZMDVYSM-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN O[C@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144731979 972974192 /nfs/dbraw/zinc/97/41/92/972974192.db2.gz IFWDVAJMMAGSOX-NSHDSACASA-N 0 1 248.351 2.253 20 0 BEADMN COCc1cccc(NCc2cc(C)[nH]n2)c1 ZINC001328390148 973009356 /nfs/dbraw/zinc/00/93/56/973009356.db2.gz SQOPHGFHDTWTFR-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN C[N@H+]1CCC2(CN(Cc3ccc([S-])cc3)C2)C1 ZINC001276904591 973190088 /nfs/dbraw/zinc/19/00/88/973190088.db2.gz BIBXPGVMZQBJLE-UHFFFAOYSA-N 0 1 248.395 2.113 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2occc2C(=O)[O-])C[C@H]1C ZINC000399604581 973230004 /nfs/dbraw/zinc/23/00/04/973230004.db2.gz ZVNJIEPHAVONFV-OPRDCNLKSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@H]1[C@@H](C)N(c2cc(C(=O)[O-])cc[nH+]2)C[C@H]1C ZINC000399637346 973232410 /nfs/dbraw/zinc/23/24/10/973232410.db2.gz FVASOKMVQMSNCX-OPRDCNLKSA-N 0 1 234.299 2.261 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2CC[C@H](C3CC3)C2)c1 ZINC000400032290 973247357 /nfs/dbraw/zinc/24/73/57/973247357.db2.gz JDXHFRFXKUMIQK-NSHDSACASA-N 0 1 232.283 2.016 20 0 BEADMN Cc1c([C@H](C)NCc2ccnc(F)c2)cnn1C ZINC001328689092 973269019 /nfs/dbraw/zinc/26/90/19/973269019.db2.gz KVFSPNXJYHKWHR-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN CCCC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001146834964 973294460 /nfs/dbraw/zinc/29/44/60/973294460.db2.gz HOWHOZGWVBKKCH-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN Cc1cnc(CO[C@@H]2CN3CCC2CC3)s1 ZINC001223860772 973310444 /nfs/dbraw/zinc/31/04/44/973310444.db2.gz ZXQQKMPBDRCQPZ-LLVKDONJSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1ccsc1C(=O)Nc1cccnc1CN ZINC001147118546 973424083 /nfs/dbraw/zinc/42/40/83/973424083.db2.gz UUUHXQBIKUSOAZ-UHFFFAOYSA-N 0 1 247.323 2.163 20 0 BEADMN CCCC1CCN(C(=O)c2cnc[nH]2)CC1 ZINC001147254759 973483801 /nfs/dbraw/zinc/48/38/01/973483801.db2.gz WMDXDIBCSGRUME-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CCc1nc(NC(=O)C=C(C)c2ccco2)n[nH]1 ZINC001329169269 973536860 /nfs/dbraw/zinc/53/68/60/973536860.db2.gz UUMVUQMTZMNHJJ-FPLPWBNLSA-N 0 1 246.270 2.002 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C(C)c2ccco2)n1 ZINC001329169269 973536878 /nfs/dbraw/zinc/53/68/78/973536878.db2.gz UUMVUQMTZMNHJJ-FPLPWBNLSA-N 0 1 246.270 2.002 20 0 BEADMN Cc1nnc(S[C@@H](C)C2CCOCC2)[nH]1 ZINC001329194947 973559602 /nfs/dbraw/zinc/55/96/02/973559602.db2.gz FYTURHCLEOERHQ-ZETCQYMHSA-N 0 1 227.333 2.020 20 0 BEADMN C[N@@H+](C[C@H]1CC=CCC1)C(C)(C)C(=O)[O-] ZINC000402191834 973602300 /nfs/dbraw/zinc/60/23/00/973602300.db2.gz GVMMSBJFFOKSJH-JTQLQIEISA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403256584 973669130 /nfs/dbraw/zinc/66/91/30/973669130.db2.gz WHWJEGQLMDAXSF-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN COc1ccccc1CN[C@@H](C)c1ccnn1C ZINC000234889465 973776939 /nfs/dbraw/zinc/77/69/39/973776939.db2.gz UPNHJUDMFZCILQ-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN Cc1cc(N[C@@H]2CCC[C@H]2CC(=O)[O-])nc(C)[nH+]1 ZINC000405215068 973787056 /nfs/dbraw/zinc/78/70/56/973787056.db2.gz MYJYYVTZPIZSCC-WDEREUQCSA-N 0 1 249.314 2.149 20 0 BEADMN C[C@H](OC[C@@H]1CCCCN1C)C(F)(F)F ZINC001224703471 973871060 /nfs/dbraw/zinc/87/10/60/973871060.db2.gz SZUSDNJCJUFTML-IUCAKERBSA-N 0 1 225.254 2.438 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1Cc1cc(C)[nH]n1 ZINC001329658603 973872749 /nfs/dbraw/zinc/87/27/49/973872749.db2.gz FSHAZHFBIDZFGM-GFCCVEGCSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1nnc(SC2CC(CF)(CF)C2)[nH]1 ZINC001329680215 973880412 /nfs/dbraw/zinc/88/04/12/973880412.db2.gz WTJPUJQTULYPBA-UHFFFAOYSA-N 0 1 233.287 2.293 20 0 BEADMN Cc1cc(-c2noc(CNC(C)C)n2)cnc1C ZINC001247461456 973967808 /nfs/dbraw/zinc/96/78/08/973967808.db2.gz OEQGVHOFEZKVBL-UHFFFAOYSA-N 0 1 246.314 2.246 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001329858755 973976686 /nfs/dbraw/zinc/97/66/86/973976686.db2.gz VTUGKBSTIUYIJZ-GFCCVEGCSA-N 0 1 248.326 2.066 20 0 BEADMN COC(=O)CN(CCC=C(C)C)CC(C)C ZINC001329875526 973991988 /nfs/dbraw/zinc/99/19/88/973991988.db2.gz AYRGSAAQBCFVCX-UHFFFAOYSA-N 0 1 227.348 2.474 20 0 BEADMN CN(Cc1nc[nH]n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001329893680 974006381 /nfs/dbraw/zinc/00/63/81/974006381.db2.gz XASBFNXSOQVQDP-MNOVXSKESA-N 0 1 236.363 2.451 20 0 BEADMN c1nnc(CSCCCC2CCOCC2)[nH]1 ZINC001330074535 974096457 /nfs/dbraw/zinc/09/64/57/974096457.db2.gz RXZOGJJTQQRDKI-UHFFFAOYSA-N 0 1 241.360 2.245 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2c(C)cccc2C1 ZINC001171565766 974105287 /nfs/dbraw/zinc/10/52/87/974105287.db2.gz RNMJMMIGHLIPAL-CQSZACIVSA-N 0 1 231.339 2.373 20 0 BEADMN CN([C@H]1Cc2cccc(F)c2C1)C1(C)COC1 ZINC001171807149 974204413 /nfs/dbraw/zinc/20/44/13/974204413.db2.gz QTNSXNRROHXWMM-NSHDSACASA-N 0 1 235.302 2.014 20 0 BEADMN C[C@@H]1CN([C@H]2Cc3cccc(F)c3C2)[C@H](C)CO1 ZINC001171806770 974205378 /nfs/dbraw/zinc/20/53/78/974205378.db2.gz KISALFCXULBWNT-WZRBSPASSA-N 0 1 249.329 2.402 20 0 BEADMN COC1(CN(C)Cc2c(C)noc2C)CCC1 ZINC001330600223 974348295 /nfs/dbraw/zinc/34/82/95/974348295.db2.gz DCCYMDRAGRSPPB-UHFFFAOYSA-N 0 1 238.331 2.292 20 0 BEADMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1[CH]CC=C1)C2 ZINC001172108494 974373610 /nfs/dbraw/zinc/37/36/10/974373610.db2.gz APGNVGBEMHBVAZ-XDQVBPFNSA-N 0 1 219.352 2.124 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1[CH]CC=C1)C2 ZINC001172108494 974373620 /nfs/dbraw/zinc/37/36/20/974373620.db2.gz APGNVGBEMHBVAZ-XDQVBPFNSA-N 0 1 219.352 2.124 20 0 BEADMN CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1[CH]CC=C1)C2 ZINC001172108494 974373630 /nfs/dbraw/zinc/37/36/30/974373630.db2.gz APGNVGBEMHBVAZ-XDQVBPFNSA-N 0 1 219.352 2.124 20 0 BEADMN COc1cnc(F)c(CNC/C=C\C2CC2)c1 ZINC001330639627 974376590 /nfs/dbraw/zinc/37/65/90/974376590.db2.gz TVOWLUUHHHMOHG-IHWYPQMZSA-N 0 1 236.290 2.285 20 0 BEADMN c1ncc(CN[C@H]2CSc3ccccc3C2)o1 ZINC001172184814 974394482 /nfs/dbraw/zinc/39/44/82/974394482.db2.gz OYQQIIZUASTMAV-LLVKDONJSA-N 0 1 246.335 2.481 20 0 BEADMN c1cc2n(c1)CCN(C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172226759 974464883 /nfs/dbraw/zinc/46/48/83/974464883.db2.gz DQKJXZUFFQOBTA-AGUYFDCRSA-N 0 1 232.327 2.014 20 0 BEADMN FC1(F)CCC[C@H]1NC1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234246 974476885 /nfs/dbraw/zinc/47/68/85/974476885.db2.gz GIUDNGXKLWOCGF-HUAZRZQGSA-N 0 1 229.270 2.250 20 0 BEADMN NC1=CN([C@H]2CSc3ccccc3C2)CC=C1 ZINC001172201080 974483002 /nfs/dbraw/zinc/48/30/02/974483002.db2.gz LXCACFKEPVGVCD-CYBMUJFWSA-N 0 1 244.363 2.375 20 0 BEADMN F[C@H]1CN(C2C[C@@H]3C=C[C@H](C2)O3)CCC1(F)F ZINC001172240724 974502480 /nfs/dbraw/zinc/50/24/80/974502480.db2.gz RQWQUEGQUBYMSY-GYIHNLGQSA-N 0 1 247.260 2.152 20 0 BEADMN Nc1ccnc(CNC(=O)/C=C/C2CCCC2)c1 ZINC001330985613 974550267 /nfs/dbraw/zinc/55/02/67/974550267.db2.gz SXZPAHZGULWVNE-AATRIKPKSA-N 0 1 245.326 2.026 20 0 BEADMN CC[NH+]1CC(Oc2ccc([S-])cc2)C1 ZINC001225553778 974550639 /nfs/dbraw/zinc/55/06/39/974550639.db2.gz FWUYQIFSHNXMPD-UHFFFAOYSA-N 0 1 209.314 2.058 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)NCc2cc(N)ccn2)C1 ZINC001330985592 974550625 /nfs/dbraw/zinc/55/06/25/974550625.db2.gz SNQHZVQQJJUXCB-MNOVXSKESA-N 0 1 247.342 2.106 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@H]1COC(C)(C)C1 ZINC001172288874 974553710 /nfs/dbraw/zinc/55/37/10/974553710.db2.gz MXAHSVPVHGRKNZ-VXGBXAGGSA-N 0 1 234.343 2.432 20 0 BEADMN CC(=O)OC1CN([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172372584 974569079 /nfs/dbraw/zinc/56/90/79/974569079.db2.gz FZGWFNJVYOQQAC-JBLDHEPKSA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)(CF)NCc1cccn(C(F)F)c1=O ZINC001331065432 974581326 /nfs/dbraw/zinc/58/13/26/974581326.db2.gz CJRVDZOVBPAQMB-UHFFFAOYSA-N 0 1 248.248 2.081 20 0 BEADMN CC[N@@H+]1CC[C@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225616076 974594011 /nfs/dbraw/zinc/59/40/11/974594011.db2.gz FRAWPPUNFWSBTE-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225616076 974594020 /nfs/dbraw/zinc/59/40/20/974594020.db2.gz FRAWPPUNFWSBTE-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CC[N@@H+]1CC[C@@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225616075 974595035 /nfs/dbraw/zinc/59/50/35/974595035.db2.gz FRAWPPUNFWSBTE-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2cc([O-])ccc2C(C)=O)C1 ZINC001225616075 974595045 /nfs/dbraw/zinc/59/50/45/974595045.db2.gz FRAWPPUNFWSBTE-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC001331111840 974609416 /nfs/dbraw/zinc/60/94/16/974609416.db2.gz TZFLLMDWPQPGID-KOLCDFICSA-N 0 1 233.315 2.158 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1CCOCC12CC2 ZINC001172350890 974619976 /nfs/dbraw/zinc/61/99/76/974619976.db2.gz ZYUCNKPNZOHERS-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC(CC3CC3)C2)[nH]1 ZINC001331151425 974622527 /nfs/dbraw/zinc/62/25/27/974622527.db2.gz CBXPUSSWEZNHRP-UHFFFAOYSA-N 0 1 247.342 2.405 20 0 BEADMN CC[C@@H](CC(C)C)N1CCO[C@@H](C(C)=O)C1 ZINC001172404791 974657324 /nfs/dbraw/zinc/65/73/24/974657324.db2.gz LJAQHMGTXLDERF-QWHCGFSZSA-N 0 1 227.348 2.101 20 0 BEADMN CCOCC[C@@H](C)NCc1csc(C)n1 ZINC001172406363 974662783 /nfs/dbraw/zinc/66/27/83/974662783.db2.gz KKMFTQXXRWHEEA-SECBINFHSA-N 0 1 228.361 2.356 20 0 BEADMN CCOCC[C@H](C)NCc1csc(C)n1 ZINC001172406364 974662947 /nfs/dbraw/zinc/66/29/47/974662947.db2.gz KKMFTQXXRWHEEA-VIFPVBQESA-N 0 1 228.361 2.356 20 0 BEADMN CC[C@@H](CC(C)C)N1CC(OC(C)=O)C1 ZINC001172408946 974668802 /nfs/dbraw/zinc/66/88/02/974668802.db2.gz ZIDCWUCFVKABHR-NSHDSACASA-N 0 1 213.321 2.058 20 0 BEADMN CCC[C@H](C(=O)NCc1cc(N)ccn1)C(C)C ZINC001331444158 974723869 /nfs/dbraw/zinc/72/38/69/974723869.db2.gz QWPQAIWISRVIJZ-ZDUSSCGKSA-N 0 1 249.358 2.352 20 0 BEADMN CN1CCC[C@H](Oc2cccc(F)c2F)C1 ZINC001225922681 974730849 /nfs/dbraw/zinc/73/08/49/974730849.db2.gz LTXSWGUYLXQEJO-VIFPVBQESA-N 0 1 227.254 2.438 20 0 BEADMN CC[C@H](CC(C)C)Nc1nccnc1CN ZINC001172390932 974740770 /nfs/dbraw/zinc/74/07/70/974740770.db2.gz AUDWCQUBJYKMLP-SNVBAGLBSA-N 0 1 222.336 2.172 20 0 BEADMN c1cc2[nH]nnc2c(OC2CCSCC2)c1 ZINC001225993972 974753713 /nfs/dbraw/zinc/75/37/13/974753713.db2.gz COUBBUWSMUQIDD-UHFFFAOYSA-N 0 1 235.312 2.232 20 0 BEADMN c1cc2[nH]nnc2c(O[C@H]2C=CCCC2)c1 ZINC001225991091 974754640 /nfs/dbraw/zinc/75/46/40/974754640.db2.gz SYVFYBXQMVAKKH-VIFPVBQESA-N 0 1 215.256 2.445 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC001331598818 974773253 /nfs/dbraw/zinc/77/32/53/974773253.db2.gz UPTGOQUDRHPBPG-SRVKXCTJSA-N 0 1 240.391 2.410 20 0 BEADMN CC(C)COCC[C@@H](C)N1CCOCC12CC2 ZINC001172479525 974779158 /nfs/dbraw/zinc/77/91/58/974779158.db2.gz DGLCXEVUBSQTLO-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172444425 974804027 /nfs/dbraw/zinc/80/40/27/974804027.db2.gz UBXIBLSONMJZBF-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN CCC[C@@H](CC)Oc1nc(C)cc(=O)[nH]1 ZINC001226157088 974810935 /nfs/dbraw/zinc/81/09/35/974810935.db2.gz WXYPOCOEKNNBCH-SECBINFHSA-N 0 1 210.277 2.448 20 0 BEADMN Cc1cnc(CN)n1[C@H](C)CCOC(C)C ZINC001172450193 974812234 /nfs/dbraw/zinc/81/22/34/974812234.db2.gz VEADWTXDXLESPE-SNVBAGLBSA-N 0 1 225.336 2.026 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)Cc2ccco2)n1 ZINC001226157773 974814598 /nfs/dbraw/zinc/81/45/98/974814598.db2.gz FOKNLBJUBUONTG-SECBINFHSA-N 0 1 234.255 2.094 20 0 BEADMN CC(C)OCC[C@H](C)N1CC(OC(C)C)C1 ZINC001172453289 974815354 /nfs/dbraw/zinc/81/53/54/974815354.db2.gz GRRVSAPWNDTWCE-LBPRGKRZSA-N 0 1 229.364 2.299 20 0 BEADMN CCN1CCC[C@@H](Oc2cccnc2F)C1 ZINC001226186994 974820138 /nfs/dbraw/zinc/82/01/38/974820138.db2.gz KFOGRBQEPXDSEB-SNVBAGLBSA-N 0 1 224.279 2.084 20 0 BEADMN Cc1cnc(CN)n1[C@@H](C)CCOCC(C)C ZINC001172460383 974826528 /nfs/dbraw/zinc/82/65/28/974826528.db2.gz RGNGWUFGALUBDQ-NSHDSACASA-N 0 1 239.363 2.274 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)c1ccccn1 ZINC001226301780 974849347 /nfs/dbraw/zinc/84/93/47/974849347.db2.gz DQTMCVPQHQNBPM-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)C1CCOCC1 ZINC001226300700 974849444 /nfs/dbraw/zinc/84/94/44/974849444.db2.gz QYTNYBMWOZTNSL-VIFPVBQESA-N 0 1 247.298 2.152 20 0 BEADMN C[S@@](=O)c1ccc(CNCC(C)(C)F)cc1 ZINC001331891028 974852715 /nfs/dbraw/zinc/85/27/15/974852715.db2.gz BFSMFOURTBCWIR-MRXNPFEDSA-N 0 1 243.347 2.262 20 0 BEADMN O=c1ccnc(O[C@H]2CC3CCC2CC3)[nH]1 ZINC001226324516 974856228 /nfs/dbraw/zinc/85/62/28/974856228.db2.gz PMLGBQUWGUSSRM-RTBKNWGFSA-N 0 1 220.272 2.140 20 0 BEADMN CC1CCC(Oc2nccc(=O)[nH]2)CC1 ZINC001226322980 974856424 /nfs/dbraw/zinc/85/64/24/974856424.db2.gz AZSMMZJPCOIQFC-UHFFFAOYSA-N 0 1 208.261 2.140 20 0 BEADMN O=c1ccnc(OC2CCCCCC2)[nH]1 ZINC001226324584 974857196 /nfs/dbraw/zinc/85/71/96/974857196.db2.gz QVTMOJOLBCXDAP-UHFFFAOYSA-N 0 1 208.261 2.284 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2cncc(C)c2)no1 ZINC001212668734 974867954 /nfs/dbraw/zinc/86/79/54/974867954.db2.gz NMNDLNZKACMKDC-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CC1(O)CN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555605 974871099 /nfs/dbraw/zinc/87/10/99/974871099.db2.gz DVWASNCBSXUBLP-ZIAGYGMSSA-N 0 1 231.339 2.389 20 0 BEADMN Cc1nc(C)n(C[C@H](O)Cc2ccccc2)c1C ZINC001332040432 974929026 /nfs/dbraw/zinc/92/90/26/974929026.db2.gz XPOYYUKLPVNEST-OAHLLOKOSA-N 0 1 244.338 2.412 20 0 BEADMN CC[C@@H](Oc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC001226508565 974930419 /nfs/dbraw/zinc/93/04/19/974930419.db2.gz KKERSIDILXVHBE-LLVKDONJSA-N 0 1 248.282 2.202 20 0 BEADMN CC(=O)CNc1cc(CN2CCCCC2)ccn1 ZINC000146989644 974942933 /nfs/dbraw/zinc/94/29/33/974942933.db2.gz MYMNPTSRDQZVCE-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN CCCC(CCC)C(=O)NCc1cc(N)ccn1 ZINC001332106142 974953340 /nfs/dbraw/zinc/95/33/40/974953340.db2.gz OKJMHRWCRPARNU-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CO[C@@H]1CCC[C@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001172932192 974982743 /nfs/dbraw/zinc/98/27/43/974982743.db2.gz QWFUZLIHZXAJHR-FIQHERPVSA-N 0 1 233.302 2.326 20 0 BEADMN Clc1ncsc1CSCc1nnc[nH]1 ZINC001332217339 975012388 /nfs/dbraw/zinc/01/23/88/975012388.db2.gz NDIQLFRHFNQPFB-UHFFFAOYSA-N 0 1 246.748 2.348 20 0 BEADMN CC(=O)[C@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700552 975034699 /nfs/dbraw/zinc/03/46/99/975034699.db2.gz BFPDWXWCYQEXSR-ZETCQYMHSA-N 0 1 222.219 2.058 20 0 BEADMN F[C@H]1CCN([C@H]2CCc3ncsc3C2)C1 ZINC001173130198 975038728 /nfs/dbraw/zinc/03/87/28/975038728.db2.gz TVZHYATZFGZXTI-IUCAKERBSA-N 0 1 226.320 2.044 20 0 BEADMN CN(Cc1ccon1)[C@H]1CCc2ncsc2C1 ZINC001173140213 975044787 /nfs/dbraw/zinc/04/47/87/975044787.db2.gz CIOJNWYYDKPUBO-JTQLQIEISA-N 0 1 249.339 2.120 20 0 BEADMN F[C@@H]1CCCN([C@H]2CCc3ncsc3C2)C1 ZINC001173140106 975045955 /nfs/dbraw/zinc/04/59/55/975045955.db2.gz WNJFJJFWGWYRHG-ZJUUUORDSA-N 0 1 240.347 2.434 20 0 BEADMN COc1cccc2c1C[C@@H](N1CC[C@H]1C)CO2 ZINC001173151834 975050405 /nfs/dbraw/zinc/05/04/05/975050405.db2.gz KTVYBRHYCXGRAK-GHMZBOCLSA-N 0 1 233.311 2.093 20 0 BEADMN Cn1cccc1CN1CCCC[C@H](F)C1 ZINC001203254147 975057894 /nfs/dbraw/zinc/05/78/94/975057894.db2.gz GWPQVEVDQRQCFK-NSHDSACASA-N 0 1 210.296 2.349 20 0 BEADMN C[C@H]1C[C@H](N[C@@H]2CCCC2(F)F)CCO1 ZINC001173169397 975059653 /nfs/dbraw/zinc/05/96/53/975059653.db2.gz OFDMRYXRFMCTOM-IVZWLZJFSA-N 0 1 219.275 2.331 20 0 BEADMN C[C@H]1C[C@@H](N[C@@H]2CCCC2(F)F)CCO1 ZINC001173169399 975060212 /nfs/dbraw/zinc/06/02/12/975060212.db2.gz OFDMRYXRFMCTOM-LPEHRKFASA-N 0 1 219.275 2.331 20 0 BEADMN c1ncn2c1CN(CC[C@@H]1C[C@H]1C1CC1)CC2 ZINC001332366232 975073782 /nfs/dbraw/zinc/07/37/82/975073782.db2.gz UXRRXIIPGLCCFV-OCCSQVGLSA-N 0 1 231.343 2.135 20 0 BEADMN CC(C)(C(=O)NC1CCC=CCC1)c1cnc[nH]1 ZINC001332417475 975107325 /nfs/dbraw/zinc/10/73/25/975107325.db2.gz LKPGISUKCQIUSG-UHFFFAOYSA-N 0 1 247.342 2.302 20 0 BEADMN CC[C@@H]1CC[C@@H](N[C@H]2CCSC2=O)C1 ZINC001173266549 975132064 /nfs/dbraw/zinc/13/20/64/975132064.db2.gz MDMACEBPFXQXBH-BBBLOLIVSA-N 0 1 213.346 2.187 20 0 BEADMN c1nc2ccc(OC[C@@H]3CCCO3)cc2[nH]1 ZINC001226928786 975157249 /nfs/dbraw/zinc/15/72/49/975157249.db2.gz RLMXRVWWYRBUIZ-JTQLQIEISA-N 0 1 218.256 2.121 20 0 BEADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cnccn1 ZINC001226930010 975159991 /nfs/dbraw/zinc/15/99/91/975159991.db2.gz NLDVDHZUUYQTNO-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CCSC[C@@H](C)NCc1ccn(CCF)n1 ZINC001173293675 975174319 /nfs/dbraw/zinc/17/43/19/975174319.db2.gz BZSLAMNMCXLDTQ-SNVBAGLBSA-N 0 1 245.367 2.084 20 0 BEADMN CC[C@H]1CC[C@H](N(C)[C@@H](C)C(=O)OC)C1 ZINC001173296635 975183160 /nfs/dbraw/zinc/18/31/60/975183160.db2.gz UYNKLSMFCYVIEV-DCAQKATOSA-N 0 1 213.321 2.058 20 0 BEADMN CCO[C@H](C)COc1[nH]c(=O)nc2ccccc21 ZINC001226977194 975199695 /nfs/dbraw/zinc/19/96/95/975199695.db2.gz NXNHQSYTELFADM-SECBINFHSA-N 0 1 248.282 2.139 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1cnccn1 ZINC001173305565 975213113 /nfs/dbraw/zinc/21/31/13/975213113.db2.gz ORSQBUZRHAKIPK-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN COc1nc(O[C@H]2CCC[C@@H](C)C2)cc(=O)[nH]1 ZINC001227000885 975216273 /nfs/dbraw/zinc/21/62/73/975216273.db2.gz UHMRNRULVGEEST-BDAKNGLRSA-N 0 1 238.287 2.148 20 0 BEADMN COc1nc(OC2CCC(C)CC2)cc(=O)[nH]1 ZINC001227000195 975216341 /nfs/dbraw/zinc/21/63/41/975216341.db2.gz GPFPVUBNEBNOJX-UHFFFAOYSA-N 0 1 238.287 2.148 20 0 BEADMN CCC[C@@H](CC)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000269 975216749 /nfs/dbraw/zinc/21/67/49/975216749.db2.gz HIYBPRFYHRMXDI-MRVPVSSYSA-N 0 1 226.276 2.148 20 0 BEADMN COc1nc(O[C@H]2CCCC[C@@H]2C)cc(=O)[nH]1 ZINC001227000734 975218051 /nfs/dbraw/zinc/21/80/51/975218051.db2.gz QQPUSZHJCSZNOI-IUCAKERBSA-N 0 1 238.287 2.148 20 0 BEADMN CC[C@@H]1CC[C@@H](N(CC)CC(=O)OC)C1 ZINC001173284580 975242418 /nfs/dbraw/zinc/24/24/18/975242418.db2.gz QSCQUWCDVDCOSD-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CCSC[C@H](C)NCc1ccn(CC)n1 ZINC001173286842 975246225 /nfs/dbraw/zinc/24/62/25/975246225.db2.gz COUYZBOAVCGBSC-JTQLQIEISA-N 0 1 227.377 2.134 20 0 BEADMN Cc1coc(COC(=O)C23CCCN2CCC3)c1 ZINC001332690380 975251480 /nfs/dbraw/zinc/25/14/80/975251480.db2.gz ADGLXDUCCVRSJE-UHFFFAOYSA-N 0 1 249.310 2.260 20 0 BEADMN CCSC[C@H](C)NCc1ncccc1F ZINC001173288390 975253114 /nfs/dbraw/zinc/25/31/14/975253114.db2.gz UVFMUBHPSHZNRB-VIFPVBQESA-N 0 1 228.336 2.452 20 0 BEADMN CC(=O)c1cc(C)ccc1O[C@@H]1CCN(C)C1 ZINC001227085673 975257505 /nfs/dbraw/zinc/25/75/05/975257505.db2.gz SKUHOTPCMLVVLU-GFCCVEGCSA-N 0 1 233.311 2.281 20 0 BEADMN CC[C@H]1CC[C@@H](N2Cc3cnn(C)c3C2)C1 ZINC001173289792 975259368 /nfs/dbraw/zinc/25/93/68/975259368.db2.gz USKVAFZAZCZLMX-CMPLNLGQSA-N 0 1 219.332 2.314 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2c(C)cccc2O)C1 ZINC001227140332 975293722 /nfs/dbraw/zinc/29/37/22/975293722.db2.gz XBYKBZMZXMLEFQ-NSHDSACASA-N 0 1 221.300 2.174 20 0 BEADMN CC[C@H](N[C@H](C)c1ncccn1)[C@H]1CCCO1 ZINC001332865472 975298187 /nfs/dbraw/zinc/29/81/87/975298187.db2.gz GELDGQIXVGTZCI-GRYCIOLGSA-N 0 1 235.331 2.085 20 0 BEADMN COC[C@@H](NCc1c(F)cncc1F)C(C)C ZINC001332865227 975298812 /nfs/dbraw/zinc/29/88/12/975298812.db2.gz DUHFKKDLTCVGNS-GFCCVEGCSA-N 0 1 244.285 2.120 20 0 BEADMN Clc1ccc2nc(O[C@@H]3CCOC3)[nH]c2c1 ZINC001227261581 975338771 /nfs/dbraw/zinc/33/87/71/975338771.db2.gz CSOAJWWUSRPXKH-MRVPVSSYSA-N 0 1 238.674 2.384 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001227271150 975347276 /nfs/dbraw/zinc/34/72/76/975347276.db2.gz QWFUMUROIGNZHM-XKSSXDPKSA-N 0 1 243.266 2.007 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1nncs1 ZINC001332992104 975360872 /nfs/dbraw/zinc/36/08/72/975360872.db2.gz SVZUXOGANKQBBS-IUCAKERBSA-N 0 1 211.334 2.206 20 0 BEADMN CCCc1ccc(NC[C@@H]2COCCN2)cc1 ZINC000259009929 975394924 /nfs/dbraw/zinc/39/49/24/975394924.db2.gz XGQYHLWUPJSMAV-CQSZACIVSA-N 0 1 234.343 2.039 20 0 BEADMN CC[C@H](C)[C@H](C[N@@H+](C)C(C)(C)CC(=O)[O-])OC ZINC001333135902 975481655 /nfs/dbraw/zinc/48/16/55/975481655.db2.gz GAOLIXQRWXALFI-QWRGUYRKSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599059 975570469 /nfs/dbraw/zinc/57/04/69/975570469.db2.gz PEQYHZMWQZMIGQ-POYBYMJQSA-N 0 1 227.333 2.282 20 0 BEADMN CC1(C)CCCC[C@@H]1C(=O)OCc1nnc[nH]1 ZINC001333227803 975578751 /nfs/dbraw/zinc/57/87/51/975578751.db2.gz LXDQWTSWJMLCCU-SECBINFHSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)C1CCCC1 ZINC001227601984 975579492 /nfs/dbraw/zinc/57/94/92/975579492.db2.gz PHRWICXDLUWSOA-MRVPVSSYSA-N 0 1 239.344 2.426 20 0 BEADMN O=C(/C=C/C1CCCCCC1)OCc1nnc[nH]1 ZINC001333230076 975581482 /nfs/dbraw/zinc/58/14/82/975581482.db2.gz ULQKSINQXCUFRX-BQYQJAHWSA-N 0 1 249.314 2.375 20 0 BEADMN CC(C)C[C@@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686301 975611866 /nfs/dbraw/zinc/61/18/66/975611866.db2.gz LNAXEFKUKOCDLE-MRVPVSSYSA-N 0 1 238.287 2.026 20 0 BEADMN C[C@@H]1OCc2c1[nH]c(=O)nc2O[C@H]1C=CCCC1 ZINC001227715251 975640492 /nfs/dbraw/zinc/64/04/92/975640492.db2.gz ZTSNEDAHDHFDOJ-IUCAKERBSA-N 0 1 248.282 2.261 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)cc1 ZINC001173805707 975692125 /nfs/dbraw/zinc/69/21/25/975692125.db2.gz UVLVHFFGXHBMLI-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN COc1nc(Nc2cccc(C)c2)cc(=O)[nH]1 ZINC001173807170 975703476 /nfs/dbraw/zinc/70/34/76/975703476.db2.gz HOOHUULIQNKMON-UHFFFAOYSA-N 0 1 231.255 2.243 20 0 BEADMN CC(C)C[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806113 975705729 /nfs/dbraw/zinc/70/57/29/975705729.db2.gz DGZFOBCZMVAFBG-QMMMGPOBSA-N 0 1 235.287 2.477 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCC1CC(F)(F)C1 ZINC001343739318 1169992457 /nfs/dbraw/zinc/99/24/57/1169992457.db2.gz OKQDRCFZENDSBB-UHFFFAOYSA-N 0 1 244.241 2.310 20 0 BEADMN Nc1nc2ccccc2n1-c1cccnc1 ZINC001173853774 975763422 /nfs/dbraw/zinc/76/34/22/975763422.db2.gz LLWFGFRHJREOHH-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CC(C)c1nnc(Nc2cccnc2)o1 ZINC001173853639 975767418 /nfs/dbraw/zinc/76/74/18/975767418.db2.gz DUNFSLGVHJFWKL-UHFFFAOYSA-N 0 1 204.233 2.332 20 0 BEADMN Cc1ncn(-c2c(C)cccc2C)c1N ZINC001173874246 975835066 /nfs/dbraw/zinc/83/50/66/975835066.db2.gz PVWCEQVOFNFEIR-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN CCN1CCC[C@H](Oc2ccc(C(C)=O)cn2)C1 ZINC001227997151 975840896 /nfs/dbraw/zinc/84/08/96/975840896.db2.gz WCRPFZCTURIALT-ZDUSSCGKSA-N 0 1 248.326 2.147 20 0 BEADMN COc1ccc(O[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC001228059893 975882170 /nfs/dbraw/zinc/88/21/70/975882170.db2.gz YZAHBXVMMQOOMH-LLVKDONJSA-N 0 1 239.290 2.307 20 0 BEADMN COc1cccc(OC)c1Nc1cncn1C ZINC001173923198 975901100 /nfs/dbraw/zinc/90/11/00/975901100.db2.gz ADSOCGBQOVVYBT-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN COC(=O)c1scc(C)c1Nc1ccncc1 ZINC001173879544 975914249 /nfs/dbraw/zinc/91/42/49/975914249.db2.gz UXEGPKPXAOBJAX-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN Fc1nc(F)c(F)c(Nc2ccncc2)c1F ZINC001173879494 975915604 /nfs/dbraw/zinc/91/56/04/975915604.db2.gz QXQISLBCEFKNMA-UHFFFAOYSA-N 0 1 243.163 2.199 20 0 BEADMN CCOc1ccc(Nc2ccncc2)cn1 ZINC001173881749 975922672 /nfs/dbraw/zinc/92/26/72/975922672.db2.gz IOBKTMORPYIDGL-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN COc1nc(Cl)ccc1Nc1ccncc1 ZINC001173881398 975924449 /nfs/dbraw/zinc/92/44/49/975924449.db2.gz QCPFWCZNOBXRTF-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COc1ncc(Nc2ccncc2)cc1Cl ZINC001173881458 975925946 /nfs/dbraw/zinc/92/59/46/975925946.db2.gz UISWGEIBQNHWAW-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN c1cnc(Nc2ccncc2)c(N2CCCC2)c1 ZINC001173882338 975928989 /nfs/dbraw/zinc/92/89/89/975928989.db2.gz NZQJQEYWELMBON-UHFFFAOYSA-N 0 1 240.310 2.242 20 0 BEADMN CCOc1ncc(Nc2ccncc2)cc1F ZINC001173881952 975932105 /nfs/dbraw/zinc/93/21/05/975932105.db2.gz OQBNDCWWGZORGN-UHFFFAOYSA-N 0 1 233.246 2.180 20 0 BEADMN CC[C@@H](c1ccccc1)[S@@](=O)Cc1nc[nH]n1 ZINC001333653894 975932988 /nfs/dbraw/zinc/93/29/88/975932988.db2.gz FAQUVPHCSWXGKL-GTNSWQLSSA-N 0 1 249.339 2.205 20 0 BEADMN CC(C)n1cnc(Nc2ccncc2)c1 ZINC001173882265 975934551 /nfs/dbraw/zinc/93/45/51/975934551.db2.gz LZJSVZCNUNMJTA-UHFFFAOYSA-N 0 1 202.261 2.025 20 0 BEADMN c1cnn(-c2ccccc2Nc2ccncc2)c1 ZINC001173882240 975935746 /nfs/dbraw/zinc/93/57/46/975935746.db2.gz CRJSQEPSVFOGDR-UHFFFAOYSA-N 0 1 236.278 2.433 20 0 BEADMN FC(F)Oc1cncc(Nc2ccncc2)c1 ZINC001173882640 975941816 /nfs/dbraw/zinc/94/18/16/975941816.db2.gz SRXUBYQTEYHOCG-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN c1cc(Nc2ccncc2)n(CC2CCC2)n1 ZINC001173882916 975945690 /nfs/dbraw/zinc/94/56/90/975945690.db2.gz WKDVLNQGASGWON-UHFFFAOYSA-N 0 1 228.299 2.244 20 0 BEADMN Cn1cc2c(cccc2Nc2ccncc2)n1 ZINC001173883897 975951525 /nfs/dbraw/zinc/95/15/25/975951525.db2.gz ZVJGSXMLLSNQTO-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN Oc1ccc(F)c(Nc2ccncc2)c1 ZINC001173883411 975951793 /nfs/dbraw/zinc/95/17/93/975951793.db2.gz INGHWQPUYGXZJX-UHFFFAOYSA-N 0 1 204.204 2.092 20 0 BEADMN COc1cc(C(C)=O)ccc1Nc1ccncc1 ZINC001173883884 975952129 /nfs/dbraw/zinc/95/21/29/975952129.db2.gz YWXYQASWQJFRAG-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN COc1cccc(F)c1Nc1ccncc1 ZINC001173883591 975953011 /nfs/dbraw/zinc/95/30/11/975953011.db2.gz UMKORBKGAJBSBK-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN COC(=O)c1cccc(F)c1Nc1ccncc1 ZINC001173883372 975958405 /nfs/dbraw/zinc/95/84/05/975958405.db2.gz HHOXVCPDVZEVGO-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN CC(=O)N(C)c1ccc(Nc2ccncc2)cc1 ZINC001173883840 975959989 /nfs/dbraw/zinc/95/99/89/975959989.db2.gz WTWBCDHITNHSRR-UHFFFAOYSA-N 0 1 241.294 2.230 20 0 BEADMN Cc1cc(N)c(F)cc1Nc1ccncc1 ZINC001173883971 975960566 /nfs/dbraw/zinc/96/05/66/975960566.db2.gz ACMAEVRRMFVLNZ-UHFFFAOYSA-N 0 1 217.247 2.277 20 0 BEADMN COC(=O)c1ccc(C)c(Nc2ccncc2)c1 ZINC001173883538 975961128 /nfs/dbraw/zinc/96/11/28/975961128.db2.gz LWUFYAKEQKHLNP-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN O[C@@H]1CCOc2c(Nc3ccncc3)cccc21 ZINC001173884136 975963792 /nfs/dbraw/zinc/96/37/92/975963792.db2.gz JJGHCPUOARZOEU-CYBMUJFWSA-N 0 1 242.278 2.063 20 0 BEADMN Cc1ccc(Nc2ccncc2)cc1CO ZINC001173884300 975964198 /nfs/dbraw/zinc/96/41/98/975964198.db2.gz MDIGKLMRLANBDO-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN COC(=O)c1cccc(Nc2ccncc2)c1F ZINC001173884420 975965342 /nfs/dbraw/zinc/96/53/42/975965342.db2.gz IDQSWPYUEULQLC-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN c1cc(Nc2ccc3cncnc3c2)ccn1 ZINC001173884915 975970228 /nfs/dbraw/zinc/97/02/28/975970228.db2.gz XQJRTAWWJNKAGH-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN COC(=O)c1cc(C)cc(Nc2ccncc2)c1 ZINC001173884392 975973038 /nfs/dbraw/zinc/97/30/38/975973038.db2.gz HASKPDZZFJYXBC-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN O=c1ccc2cc(Nc3ccncc3)ccc2o1 ZINC001173885076 975977801 /nfs/dbraw/zinc/97/78/01/975977801.db2.gz HSMDGZMERKLYCD-UHFFFAOYSA-N 0 1 238.246 2.354 20 0 BEADMN CC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1C ZINC001228216759 975998996 /nfs/dbraw/zinc/99/89/96/975998996.db2.gz OMPCTMNFIMIKGY-ZDUSSCGKSA-N 0 1 233.311 2.281 20 0 BEADMN CN(C)Cc1ccccc1Nc1c[nH]ccc1=O ZINC001173928885 976040468 /nfs/dbraw/zinc/04/04/68/976040468.db2.gz PDKJWEFSOVWMSP-UHFFFAOYSA-N 0 1 243.310 2.180 20 0 BEADMN O=c1cc(Nc2ccoc2)nc(Cl)[nH]1 ZINC001173933252 976048520 /nfs/dbraw/zinc/04/85/20/976048520.db2.gz IJPGYFNSYZOCFA-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN CN(C)c1ncc(CN(C)CCCF)s1 ZINC001333737128 976051613 /nfs/dbraw/zinc/05/16/13/976051613.db2.gz ZFZJKDGQXULNNY-UHFFFAOYSA-N 0 1 231.340 2.001 20 0 BEADMN CC(=O)c1cccnc1O[C@H]1CCN(C(C)C)C1 ZINC001228288471 976057848 /nfs/dbraw/zinc/05/78/48/976057848.db2.gz RODYBPHUZLGENZ-LBPRGKRZSA-N 0 1 248.326 2.146 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccc[nH]2)o1 ZINC001333750401 976059671 /nfs/dbraw/zinc/05/96/71/976059671.db2.gz GVWZGGWODHUBMK-VIFPVBQESA-N 0 1 220.272 2.467 20 0 BEADMN CCN1CCC(Oc2ncccc2C(C)=O)CC1 ZINC001228288123 976059721 /nfs/dbraw/zinc/05/97/21/976059721.db2.gz OGTKBDHHAMYYEK-UHFFFAOYSA-N 0 1 248.326 2.147 20 0 BEADMN Cc1ccc(O[C@H]2CCC[N@H+](C)C2)nc1C ZINC001228295876 976073011 /nfs/dbraw/zinc/07/30/11/976073011.db2.gz OYLJYHYPJCEIDM-LBPRGKRZSA-N 0 1 220.316 2.171 20 0 BEADMN Cc1ncn(-c2cccc(C)c2C)c1N ZINC001173953508 976117428 /nfs/dbraw/zinc/11/74/28/976117428.db2.gz DWRDIAYRFHZJCJ-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN CC(C)(C)ONC(=O)c1cc(F)cc(F)c1O ZINC001333872426 976134252 /nfs/dbraw/zinc/13/42/52/976134252.db2.gz KEWHDXQCZOGNNI-UHFFFAOYSA-N 0 1 245.225 2.130 20 0 BEADMN NC(=O)c1ncc(Cl)cc1NC1=CCCC1 ZINC001173997760 976140495 /nfs/dbraw/zinc/14/04/95/976140495.db2.gz UHEPUJXZGYETII-UHFFFAOYSA-N 0 1 237.690 2.314 20 0 BEADMN CN(C)c1ncc(CNC/C=C/Cl)s1 ZINC001333895624 976151115 /nfs/dbraw/zinc/15/11/15/976151115.db2.gz PUJSKNZHHQWSPM-ONEGZZNKSA-N 0 1 231.752 2.051 20 0 BEADMN OCc1cc(Nc2ccc3c(c2)CCO3)ccn1 ZINC001174009792 976175538 /nfs/dbraw/zinc/17/55/38/976175538.db2.gz LNTKCYSZTFGLBU-UHFFFAOYSA-N 0 1 242.278 2.252 20 0 BEADMN CC(C)CC[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388146 976177005 /nfs/dbraw/zinc/17/70/05/976177005.db2.gz GPPDAHJCUXUHDS-QMMMGPOBSA-N 0 1 226.276 2.091 20 0 BEADMN Cc1ccc([C@H](C)Oc2nc(O)cc(=O)[nH]2)cc1 ZINC001228389405 976185246 /nfs/dbraw/zinc/18/52/46/976185246.db2.gz WSGZHSYZKMFVTA-VIFPVBQESA-N 0 1 246.266 2.336 20 0 BEADMN Cc1[nH+]c(N2CCC(F)CC2)ccc1C(=O)[O-] ZINC000689377941 976252544 /nfs/dbraw/zinc/25/25/44/976252544.db2.gz XGXPKONCPOSIDG-UHFFFAOYSA-N 0 1 238.262 2.027 20 0 BEADMN Clc1nc2nc[nH]c2c(O[C@@H]2C=CCC2)n1 ZINC001228506964 976264580 /nfs/dbraw/zinc/26/45/80/976264580.db2.gz AZFANWOFVHIGIY-ZCFIWIBFSA-N 0 1 236.662 2.104 20 0 BEADMN COc1cncc(-n2c(N)nc3ccccc32)c1 ZINC001174088257 976354955 /nfs/dbraw/zinc/35/49/55/976354955.db2.gz SHFIZFQSGVJBNP-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN CCN1CCC[C@@H](Oc2cc(C)cnc2F)C1 ZINC001228587206 976357868 /nfs/dbraw/zinc/35/78/68/976357868.db2.gz PHVWIHWKKGBWNM-LLVKDONJSA-N 0 1 238.306 2.392 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1ccccn1 ZINC001228662447 976417550 /nfs/dbraw/zinc/41/75/50/976417550.db2.gz HPICWTOKAJGTAO-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN CC(=O)OC[C@H](C)N[C@@H]1c2ccccc2O[C@@H]1C ZINC001334285327 976422425 /nfs/dbraw/zinc/42/24/25/976422425.db2.gz BDOMASOJFBUGDO-RBZYPMLTSA-N 0 1 249.310 2.050 20 0 BEADMN CC(=O)OC[C@H](C)N[C@@H]1c2ccccc2O[C@H]1C ZINC001334285317 976424018 /nfs/dbraw/zinc/42/40/18/976424018.db2.gz BDOMASOJFBUGDO-BHDSKKPTSA-N 0 1 249.310 2.050 20 0 BEADMN Cc1ccc(-n2[nH]c(=O)c3ccc(N)cc32)cn1 ZINC001174283281 976446314 /nfs/dbraw/zinc/44/63/14/976446314.db2.gz IETOCEPNKOFWOF-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2nccc3cccnc32)C1 ZINC001228808931 976503281 /nfs/dbraw/zinc/50/32/81/976503281.db2.gz DPMJKLCCCACXMR-GFCCVEGCSA-N 0 1 243.310 2.103 20 0 BEADMN Nc1ccn(-c2ccc3nccn3c2)c2nccc1-2 ZINC001174277111 976509011 /nfs/dbraw/zinc/50/90/11/976509011.db2.gz IRJPVSMNAJIMBY-UHFFFAOYSA-N 0 1 249.277 2.207 20 0 BEADMN O=c1cc(Nc2cccc3[nH]ncc32)cc[nH]1 ZINC001174342040 976563312 /nfs/dbraw/zinc/56/33/12/976563312.db2.gz BYHLVIPGYBLGKQ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Oc1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174342307 976566310 /nfs/dbraw/zinc/56/63/10/976566310.db2.gz JSQPYWDMDJLFKB-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN COc1cc(Nc2cccc3[nH]ncc32)no1 ZINC001174343173 976566900 /nfs/dbraw/zinc/56/69/00/976566900.db2.gz SMURWOSQIWOKAC-UHFFFAOYSA-N 0 1 230.227 2.303 20 0 BEADMN c1n[nH]c2cccc(Nc3cnccn3)c12 ZINC001174342209 976567683 /nfs/dbraw/zinc/56/76/83/976567683.db2.gz GAHQFCBJIARKAR-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN O=c1ccc(Nc2cccc3[nH]ncc32)c[nH]1 ZINC001174343142 976568106 /nfs/dbraw/zinc/56/81/06/976568106.db2.gz RSWRDMFYQSQNPZ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Cn1cncc1Nc1cccc2n[nH]cc21 ZINC001174343873 976571384 /nfs/dbraw/zinc/57/13/84/976571384.db2.gz RQGXDGRWVUXSLF-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2)n1 ZINC001228919939 976579705 /nfs/dbraw/zinc/57/97/05/976579705.db2.gz CNBXIINGWOYRQH-VIFPVBQESA-N 0 1 246.266 2.331 20 0 BEADMN OCc1cc(Nc2cnc3[nH]ccc3c2)ccn1 ZINC001174395871 976586094 /nfs/dbraw/zinc/58/60/94/976586094.db2.gz BTDPQRZBRJHVSW-UHFFFAOYSA-N 0 1 240.266 2.145 20 0 BEADMN C1=C[C@@H](Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228988939 976614356 /nfs/dbraw/zinc/61/43/56/976614356.db2.gz CHTZGUGPYZNDNH-MRVPVSSYSA-N 0 1 201.229 2.055 20 0 BEADMN C1=C[C@H](Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228988940 976614271 /nfs/dbraw/zinc/61/42/71/976614271.db2.gz CHTZGUGPYZNDNH-QMMMGPOBSA-N 0 1 201.229 2.055 20 0 BEADMN C[C@@H]1COc2ccccc2CN1CCOC1CC1 ZINC001334745597 976616140 /nfs/dbraw/zinc/61/61/40/976616140.db2.gz JUQKKAJLMYOIML-GFCCVEGCSA-N 0 1 247.338 2.449 20 0 BEADMN C[C@H]1COc2ccccc2CN1CCOC1CC1 ZINC001334745599 976616210 /nfs/dbraw/zinc/61/62/10/976616210.db2.gz JUQKKAJLMYOIML-LBPRGKRZSA-N 0 1 247.338 2.449 20 0 BEADMN COc1nnc(CN[C@@H]2CCCC[C@@H]2C)s1 ZINC001334770405 976636170 /nfs/dbraw/zinc/63/61/70/976636170.db2.gz DNEPVKVKVKVMDM-DTWKUNHWSA-N 0 1 241.360 2.215 20 0 BEADMN Cc1ncn(-c2cnn(CCC(C)C)c2)c1N ZINC001174411475 976705092 /nfs/dbraw/zinc/70/50/92/976705092.db2.gz BYEUINQTBGGTBN-UHFFFAOYSA-N 0 1 233.319 2.006 20 0 BEADMN Cc1ncn(-c2cccc(N3CCCC3)c2)c1N ZINC001174487131 976710596 /nfs/dbraw/zinc/71/05/96/976710596.db2.gz JKJCEUDPIHWASF-UHFFFAOYSA-N 0 1 242.326 2.363 20 0 BEADMN Cc1cncnc1Nc1ccc2cn[nH]c2c1 ZINC001174499390 976725271 /nfs/dbraw/zinc/72/52/71/976725271.db2.gz URXFTWZPLWANBC-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1nn(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001174499468 976728182 /nfs/dbraw/zinc/72/81/82/976728182.db2.gz RDJXCFNVCQJYLQ-UHFFFAOYSA-N 0 1 243.270 2.049 20 0 BEADMN c1n[nH]c2cc(Nc3ccncn3)ccc12 ZINC001174499512 976728231 /nfs/dbraw/zinc/72/82/31/976728231.db2.gz SFAQRWVMLICBME-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1n[nH]c2cc(Nc3cnns3)ccc12 ZINC001174499054 976732349 /nfs/dbraw/zinc/73/23/49/976732349.db2.gz XTRHMZQZBOWBQM-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Cc1n[nH]cc1Nc1noc(C(C)(C)C)n1 ZINC001174471733 976781568 /nfs/dbraw/zinc/78/15/68/976781568.db2.gz RRRSYXDQTAAZRF-UHFFFAOYSA-N 0 1 221.264 2.142 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000695126477 976782785 /nfs/dbraw/zinc/78/27/85/976782785.db2.gz XTGIDHGCGCAQBQ-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(N)cc1F ZINC001174481616 976803752 /nfs/dbraw/zinc/80/37/52/976803752.db2.gz QEKKRWLFILYVDS-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN Nc1cncn1-c1ccc(N2CCCC2)cc1 ZINC001174526413 976806700 /nfs/dbraw/zinc/80/67/00/976806700.db2.gz MUONMPMYVVUZOQ-UHFFFAOYSA-N 0 1 228.299 2.055 20 0 BEADMN Cc1noc(Nc2ccncc2C)c1C ZINC001174535888 976813177 /nfs/dbraw/zinc/81/31/77/976813177.db2.gz CKHWQCFLCXVFKJ-UHFFFAOYSA-N 0 1 203.245 2.160 20 0 BEADMN COc1cc(Nc2ccnc(CO)c2)ccc1O ZINC001174541042 976831534 /nfs/dbraw/zinc/83/15/34/976831534.db2.gz LLTLDFZLULQUSU-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN Cc1cc(F)ncc1C[N@H+]1CC[C@@H](CF)C1 ZINC001335089101 976846847 /nfs/dbraw/zinc/84/68/47/976846847.db2.gz LALNCZIRNFKRCQ-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN Cc1cc(F)ncc1CN1CC[C@@H](CF)C1 ZINC001335089101 976846854 /nfs/dbraw/zinc/84/68/54/976846854.db2.gz LALNCZIRNFKRCQ-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN O=C(c1cc2c(Cl)[nH]ccc-2n1)N1CCCC1 ZINC001174554907 976856926 /nfs/dbraw/zinc/85/69/26/976856926.db2.gz CLRFNUSTFGDBOP-UHFFFAOYSA-N 0 1 249.701 2.452 20 0 BEADMN Cc1ccc(O[C@H]2CCN(C)C2)c(Cl)n1 ZINC001229427129 976866245 /nfs/dbraw/zinc/86/62/45/976866245.db2.gz IREFCXOJJNEBJD-VIFPVBQESA-N 0 1 226.707 2.126 20 0 BEADMN CC(C)=CNc1ccc(N2CCN(C)CC2)cn1 ZINC001174557419 976867107 /nfs/dbraw/zinc/86/71/07/976867107.db2.gz KWXPIFAWMHFQHF-UHFFFAOYSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1cn(C)nc1COc1cc(C)nc(C)c1 ZINC001335252480 976899740 /nfs/dbraw/zinc/89/97/40/976899740.db2.gz JAINJXIYJYFKFT-UHFFFAOYSA-N 0 1 231.299 2.319 20 0 BEADMN COc1cc([C@@H](C)NC/C=C\C2CC2)on1 ZINC001335280311 976917364 /nfs/dbraw/zinc/91/73/64/976917364.db2.gz AHQVSEHQYDPQOG-ZBJFTSOASA-N 0 1 222.288 2.300 20 0 BEADMN Cn1cncc1Nc1cnn([C@@H]2CCCCO2)c1 ZINC001174598974 976917526 /nfs/dbraw/zinc/91/75/26/976917526.db2.gz OBDKMKPFEGOGFB-LBPRGKRZSA-N 0 1 247.302 2.059 20 0 BEADMN Cc1cc([S-])ccc1O[C@H]1CC[N@H+](C)C1 ZINC001229635513 976919607 /nfs/dbraw/zinc/91/96/07/976919607.db2.gz YCQCOWGOGUREIM-JTQLQIEISA-N 0 1 223.341 2.367 20 0 BEADMN COc1cc([C@@H](C)NC/C=C/C2CC2)on1 ZINC001335280308 976921418 /nfs/dbraw/zinc/92/14/18/976921418.db2.gz AHQVSEHQYDPQOG-CDAZIORVSA-N 0 1 222.288 2.300 20 0 BEADMN CCN1CC[C@@H](Oc2c(O)cccc2C(C)=O)C1 ZINC001229646056 976924153 /nfs/dbraw/zinc/92/41/53/976924153.db2.gz IVYIPRBUNLFATA-LLVKDONJSA-N 0 1 249.310 2.068 20 0 BEADMN Cc1cc(N=c2[nH]c3ccccc3n2C)ccn1 ZINC001174650912 976935475 /nfs/dbraw/zinc/93/54/75/976935475.db2.gz GDERHVUTRIIRTM-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN Cc1ncn(-c2cccc(F)c2C)c1N ZINC001174667165 976961213 /nfs/dbraw/zinc/96/12/13/976961213.db2.gz NXYJFFZTSGLPTC-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN CN(C)Cc1cc(F)ccc1OC1CC1 ZINC001229857882 977003092 /nfs/dbraw/zinc/00/30/92/977003092.db2.gz BLQLKIHNWBVWMW-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN Cc1ncn(C)c1Nc1cncc(C)c1 ZINC001174753072 977051268 /nfs/dbraw/zinc/05/12/68/977051268.db2.gz JLULBCKGTQRBOM-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2CCCC[C@H]2F)c1Cl ZINC001230018192 977057559 /nfs/dbraw/zinc/05/75/59/977057559.db2.gz PDAPFCVSVVCNBQ-RNFRBKRXSA-N 0 1 246.669 2.495 20 0 BEADMN O=c1[nH]cnc(O[C@H]2CCCC[C@H]2F)c1Cl ZINC001230018194 977060083 /nfs/dbraw/zinc/06/00/83/977060083.db2.gz PDAPFCVSVVCNBQ-RQJHMYQMSA-N 0 1 246.669 2.495 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2C=CCCC2)c1Cl ZINC001230014935 977062078 /nfs/dbraw/zinc/06/20/78/977062078.db2.gz RKFGVGLOTLYTEW-SSDOTTSWSA-N 0 1 226.663 2.323 20 0 BEADMN CC(=O)[C@@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230224912 977134834 /nfs/dbraw/zinc/13/48/34/977134834.db2.gz CFNSITPWMXSAII-SECBINFHSA-N 0 1 218.256 2.228 20 0 BEADMN COc1cc(F)c(Nc2cncn2C)cc1F ZINC001174926044 977167605 /nfs/dbraw/zinc/16/76/05/977167605.db2.gz RHIHGOBTXUXYLG-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN COc1cc(F)c(Nc2nnc(C)o2)cc1F ZINC001174924629 977170671 /nfs/dbraw/zinc/17/06/71/977170671.db2.gz WYHIYRMKINRFBM-UHFFFAOYSA-N 0 1 241.197 2.408 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)c(N)c1 ZINC001174934300 977173780 /nfs/dbraw/zinc/17/37/80/977173780.db2.gz SNMOHVUOORDTSY-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN COc1cccc(F)c1Nc1cncn1C ZINC001174991629 977197251 /nfs/dbraw/zinc/19/72/51/977197251.db2.gz BZHSMIMVNBJZKZ-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN O=c1cc(Nc2ccc(O)cc2)nc(Cl)[nH]1 ZINC001175041823 977234143 /nfs/dbraw/zinc/23/41/43/977234143.db2.gz IRPNBRXWCLOUNO-UHFFFAOYSA-N 0 1 237.646 2.285 20 0 BEADMN Cc1nonc1Nc1c(F)cc(O)cc1F ZINC001175094778 977269914 /nfs/dbraw/zinc/26/99/14/977269914.db2.gz RPGMZUCLZUGGPU-UHFFFAOYSA-N 0 1 227.170 2.105 20 0 BEADMN CCOc1ccc(C)cc1-n1cnc(C)c1N ZINC001175124521 977275654 /nfs/dbraw/zinc/27/56/54/977275654.db2.gz XWRMGWQMORGERV-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN Cc1ncn(C)c1Nc1cc(CO)ccc1F ZINC001175130229 977285027 /nfs/dbraw/zinc/28/50/27/977285027.db2.gz GOHPBNWZZRUCGU-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN CC[C@@H](F)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC001335807494 977297320 /nfs/dbraw/zinc/29/73/20/977297320.db2.gz VNLWLTZECIQPTR-SECBINFHSA-N 0 1 249.289 2.236 20 0 BEADMN COc1nc(Nc2ccc(F)c(C)c2)cc(=O)[nH]1 ZINC001175252488 977329227 /nfs/dbraw/zinc/32/92/27/977329227.db2.gz YZLMXXADLQZTMP-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN C[C@@H](C(=O)N[C@@H](C)[C@@]12C[C@@H]1CCCC2)N(C)C ZINC001330889777 977356669 /nfs/dbraw/zinc/35/66/69/977356669.db2.gz ZHKCTGQTIILKDI-ZJQBRPOHSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1CC[C@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230900084 977368922 /nfs/dbraw/zinc/36/89/22/977368922.db2.gz CUQIKXPNXKDVHN-KYZUINATSA-N 0 1 232.287 2.310 20 0 BEADMN Nc1cncn1-c1ccc2ncccc2c1 ZINC001175372424 977395942 /nfs/dbraw/zinc/39/59/42/977395942.db2.gz JGTBWDLKRVGSTH-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Nc1nc2ccccc2n1-c1cncs1 ZINC001175495446 977453944 /nfs/dbraw/zinc/45/39/44/977453944.db2.gz GWJVEQNBLFUGDK-UHFFFAOYSA-N 0 1 216.269 2.064 20 0 BEADMN c1cc(Nc2cncs2)n(-c2ccncc2)n1 ZINC001175496976 977457222 /nfs/dbraw/zinc/45/72/22/977457222.db2.gz NDFCSTJAYNXOIN-UHFFFAOYSA-N 0 1 243.295 2.467 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ccn(C)n1 ZINC001175525572 977503965 /nfs/dbraw/zinc/50/39/65/977503965.db2.gz NOIZJZHERMSJGN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ccn[nH]c1=O ZINC001175524494 977506886 /nfs/dbraw/zinc/50/68/86/977506886.db2.gz UIYHUPMXPXQJQS-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1nnc(Nc2cccc3nn(C)cc32)o1 ZINC001175589263 977517798 /nfs/dbraw/zinc/51/77/98/977517798.db2.gz REFCQFHSHYURBS-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN Cn1cc2c(cccc2Nc2cncn2C)n1 ZINC001175589483 977520884 /nfs/dbraw/zinc/52/08/84/977520884.db2.gz RMZXDUDOZLGMMS-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN CCCOc1cccc(Nc2nonc2N)c1 ZINC001175599124 977524548 /nfs/dbraw/zinc/52/45/48/977524548.db2.gz ZHHSGUZPMJYIHG-UHFFFAOYSA-N 0 1 234.259 2.184 20 0 BEADMN CSc1ccc(C[N@@H+](C)CCCC(=O)[O-])o1 ZINC001594194107 977549607 /nfs/dbraw/zinc/54/96/07/977549607.db2.gz CGIXIKXYUVURBJ-UHFFFAOYSA-N 0 1 243.328 2.298 20 0 BEADMN Cc1ccncc1NC1=CCCN(C)C1 ZINC001175574213 977568652 /nfs/dbraw/zinc/56/86/52/977568652.db2.gz QJBMBQHZNIOREW-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN Cc1cn2cccc(NC3=CCCN(C)C3)c2n1 ZINC001175574935 977568787 /nfs/dbraw/zinc/56/87/87/977568787.db2.gz GEIQLIFRHIYOTR-UHFFFAOYSA-N 0 1 242.326 2.274 20 0 BEADMN CN1CCC=C(Nc2ccccc2F)C1 ZINC001175576334 977578890 /nfs/dbraw/zinc/57/88/90/977578890.db2.gz IEEMDYIGVOTINM-UHFFFAOYSA-N 0 1 206.264 2.457 20 0 BEADMN CN1CCC=C(Nc2cnn3cc(F)ccc23)C1 ZINC001175575960 977580238 /nfs/dbraw/zinc/58/02/38/977580238.db2.gz DFTLFBYYACHBKS-UHFFFAOYSA-N 0 1 246.289 2.105 20 0 BEADMN CCOc1ccncc1NC1=CCCN(C)C1 ZINC001175575496 977580352 /nfs/dbraw/zinc/58/03/52/977580352.db2.gz XZLPEJBPKDOZCS-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN Cc1cnn(CC2CC2)c1NC1=CCCN(C)C1 ZINC001175576936 977588285 /nfs/dbraw/zinc/58/82/85/977588285.db2.gz NKGOXGSJKFFBCN-UHFFFAOYSA-N 0 1 246.358 2.233 20 0 BEADMN CN1CCC=C(Nc2cccc3c2OCC3)C1 ZINC001175580380 977594698 /nfs/dbraw/zinc/59/46/98/977594698.db2.gz NEDTYVKSCXAZQV-UHFFFAOYSA-N 0 1 230.311 2.253 20 0 BEADMN C[N@@H+]1CCC=C(Nc2cc([O-])c(F)c(F)c2)C1 ZINC001175580436 977596406 /nfs/dbraw/zinc/59/64/06/977596406.db2.gz OJGIASLHNNSKNE-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN C[N@H+]1CCC=C(Nc2cc([O-])c(F)c(F)c2)C1 ZINC001175580436 977596416 /nfs/dbraw/zinc/59/64/16/977596416.db2.gz OJGIASLHNNSKNE-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN CN1CCC=C(Nc2cc(O)c(F)c(F)c2)C1 ZINC001175580436 977596422 /nfs/dbraw/zinc/59/64/22/977596422.db2.gz OJGIASLHNNSKNE-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])s2)C[C@@H]1F ZINC001231463165 977596665 /nfs/dbraw/zinc/59/66/65/977596665.db2.gz YMPRAEWBGIXTJX-APPZFPTMSA-N 0 1 243.303 2.236 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])s2)C[C@@H]1F ZINC001231463165 977596681 /nfs/dbraw/zinc/59/66/81/977596681.db2.gz YMPRAEWBGIXTJX-APPZFPTMSA-N 0 1 243.303 2.236 20 0 BEADMN COc1cc(O)ccc1NC1=CCCN(C)C1 ZINC001175578903 977597630 /nfs/dbraw/zinc/59/76/30/977597630.db2.gz QPFJYLNGFLVBAL-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN CN1CCC=C(Nc2ccnc(C(C)(C)C)n2)C1 ZINC001175577892 977599032 /nfs/dbraw/zinc/59/90/32/977599032.db2.gz ZGRDHRMUJCRJTI-UHFFFAOYSA-N 0 1 246.358 2.405 20 0 BEADMN COc1c(O)cccc1NC1=CCCN(C)C1 ZINC001175582027 977604593 /nfs/dbraw/zinc/60/45/93/977604593.db2.gz BDMUGJKEMTXKCU-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cccnc23)C[C@H](C)O1 ZINC001231486149 977607207 /nfs/dbraw/zinc/60/72/07/977607207.db2.gz MZJMOSLUKUQPPU-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2cccnc12 ZINC001231486074 977608894 /nfs/dbraw/zinc/60/88/94/977608894.db2.gz MLMKIPNTWPFWCX-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN c1[nH]c2cccnc2c1CN1CC2(CSC2)C1 ZINC001231492524 977611212 /nfs/dbraw/zinc/61/12/12/977611212.db2.gz AQFOPARVFNSPOA-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN F[C@@H]1CCCN(Cc2c[nH]c3cccnc23)C1 ZINC001231490862 977614758 /nfs/dbraw/zinc/61/47/58/977614758.db2.gz WXGCLFDDTVOHMG-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@@H]1CCCN(Cc2c[nH]c3cnccc23)C1 ZINC001231519214 977623558 /nfs/dbraw/zinc/62/35/58/977623558.db2.gz ZZENFIYDGNXDPS-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cn[nH]c(=O)c3)cc12 ZINC001175694111 977630526 /nfs/dbraw/zinc/63/05/26/977630526.db2.gz NJRYZMBDYFJTCP-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1[nH]nc2cc(Nc3ccnnc3)ccc21 ZINC001175659207 977636156 /nfs/dbraw/zinc/63/61/56/977636156.db2.gz GMZKVKPVCGAWEJ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cc(F)ccc1CN(C)C1CC1 ZINC001231602683 977649395 /nfs/dbraw/zinc/64/93/95/977649395.db2.gz SIWGUXATRDYMMB-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN CCc1ccc(CN2CC3(C2)CCOCC3)nc1 ZINC001231642280 977658321 /nfs/dbraw/zinc/65/83/21/977658321.db2.gz YHMKGASHTIAEFA-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN Cc1cnccc1C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594433527 977659350 /nfs/dbraw/zinc/65/93/50/977659350.db2.gz AYEAVGAPTVHUBM-DGCLKSJQSA-N 0 1 248.326 2.218 20 0 BEADMN CCOc1ccc(CN(C)CCSC)cn1 ZINC001231655403 977666771 /nfs/dbraw/zinc/66/67/71/977666771.db2.gz DJLRFVRYWVLOKX-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN c1cc2cc(CN3CCSCC3)ncc2[nH]1 ZINC001231666635 977678987 /nfs/dbraw/zinc/67/89/87/977678987.db2.gz YQUBOZSYLAKFKB-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN c1cc2cc(CN3CC4(CSC4)C3)ncc2[nH]1 ZINC001231673309 977683248 /nfs/dbraw/zinc/68/32/48/977683248.db2.gz NCXNXHASIASAME-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN COCc1ccc(CN2CCC[C@H]3C[C@H]32)o1 ZINC001231694452 977691429 /nfs/dbraw/zinc/69/14/29/977691429.db2.gz IXDNAVIVORAIJA-GXFFZTMASA-N 0 1 221.300 2.410 20 0 BEADMN Cc1ccc(O)c(C[N@@H+](CC2CC2)C2CC2)n1 ZINC001231674780 977691865 /nfs/dbraw/zinc/69/18/65/977691865.db2.gz IPOBUQROVCVGFC-UHFFFAOYSA-N 0 1 232.327 2.470 20 0 BEADMN COc1nc(Nc2cscc2C)cc(=O)[nH]1 ZINC001175766161 977734203 /nfs/dbraw/zinc/73/42/03/977734203.db2.gz XUPDHKQSENFJOP-UHFFFAOYSA-N 0 1 237.284 2.304 20 0 BEADMN CC[N@@H+](Cc1ccccc1OCC(=O)[O-])C1CC1 ZINC001231790325 977750909 /nfs/dbraw/zinc/75/09/09/977750909.db2.gz RWKNGCAOLGKPFM-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN OCC1CN(Cc2ccc(-c3ccccc3)o2)C1 ZINC001231813300 977753644 /nfs/dbraw/zinc/75/36/44/977753644.db2.gz YRILMOVEQKFFFM-UHFFFAOYSA-N 0 1 243.306 2.371 20 0 BEADMN FC(F)c1cc(CN2C[C@@H]3C[C@@H]3C2)ccn1 ZINC001231891719 977784146 /nfs/dbraw/zinc/78/41/46/977784146.db2.gz YHFKIUWZZDFYKA-AOOOYVTPSA-N 0 1 224.254 2.471 20 0 BEADMN F[C@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]2C[C@@H]21 ZINC001231905071 977794297 /nfs/dbraw/zinc/79/42/97/977794297.db2.gz FKQPVDLXSYFXDO-AVGNSLFASA-N 0 1 245.301 2.353 20 0 BEADMN CC[C@@H](CC(F)(F)F)Nc1ccnc(N)n1 ZINC001336577062 977794384 /nfs/dbraw/zinc/79/43/84/977794384.db2.gz LJRKRUALRLRKPQ-LURJTMIESA-N 0 1 234.225 2.202 20 0 BEADMN Cc1ccc2nc(N)n(-c3cscn3)c2c1 ZINC001175938579 977798256 /nfs/dbraw/zinc/79/82/56/977798256.db2.gz YISRLSUAEATYSK-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN COC[C@H]1CCCN1Cc1cnc(F)c(C)c1 ZINC001231923780 977798441 /nfs/dbraw/zinc/79/84/41/977798441.db2.gz WRPCHJFKBVLKQR-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cnc1F ZINC001231926890 977799129 /nfs/dbraw/zinc/79/91/29/977799129.db2.gz ISLMYDGPEWMWMI-SDDRHHMPSA-N 0 1 238.281 2.461 20 0 BEADMN COc1cnc(CN2[C@H](C)CCC[C@H]2C)cn1 ZINC001231934577 977803471 /nfs/dbraw/zinc/80/34/71/977803471.db2.gz UDKCRWVPPSTXAV-GHMZBOCLSA-N 0 1 235.331 2.248 20 0 BEADMN COc1cnc(CN2[C@H](C)CCC[C@@H]2C)cn1 ZINC001231934579 977804298 /nfs/dbraw/zinc/80/42/98/977804298.db2.gz UDKCRWVPPSTXAV-PHIMTYICSA-N 0 1 235.331 2.248 20 0 BEADMN COc1cnc(CN2CC[C@H](C)C[C@H]2C)cn1 ZINC001231935748 977804574 /nfs/dbraw/zinc/80/45/74/977804574.db2.gz IYBWDHPWCBHIFJ-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@H](C)CC2)cn1 ZINC001231938250 977806444 /nfs/dbraw/zinc/80/64/44/977806444.db2.gz BXLWAGVGQQVQFQ-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN COc1cnc(CN2CCC(C)(C)CC2)cn1 ZINC001231938130 977806904 /nfs/dbraw/zinc/80/69/04/977806904.db2.gz QNIGAUGTNCPNHR-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COc1ccnc(CN2CC[C@](C)(CF)C2)c1 ZINC001231966395 977813420 /nfs/dbraw/zinc/81/34/20/977813420.db2.gz DREZGSNWCUWPSH-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cc(O)cnc1Nc1ccc2nn[nH]c2c1 ZINC001175995772 977821509 /nfs/dbraw/zinc/82/15/09/977821509.db2.gz ITHLVYYWCQUKPI-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1cc(O)cnc1Nc1ccc2n[nH]nc2c1 ZINC001175995772 977821516 /nfs/dbraw/zinc/82/15/16/977821516.db2.gz ITHLVYYWCQUKPI-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1cc(F)cc(NCc2n[nH]c(C3CC3)n2)n1 ZINC001336648413 977831399 /nfs/dbraw/zinc/83/13/99/977831399.db2.gz OPOMIQKEGXYEST-UHFFFAOYSA-N 0 1 247.277 2.137 20 0 BEADMN CO[C@H](C)C1CN(Cc2cc(C)nc(C)c2)C1 ZINC001232003494 977834624 /nfs/dbraw/zinc/83/46/24/977834624.db2.gz QHJRYKHGOLJURJ-GFCCVEGCSA-N 0 1 234.343 2.165 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)cc(C)n1 ZINC001232004753 977835366 /nfs/dbraw/zinc/83/53/66/977835366.db2.gz QUKANERZYPFVMF-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN C=CC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC001336676315 977848117 /nfs/dbraw/zinc/84/81/17/977848117.db2.gz MVEIPPLHZBRYLB-LBPRGKRZSA-N 0 1 248.326 2.027 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001594839622 977848166 /nfs/dbraw/zinc/84/81/66/977848166.db2.gz QKCJNGPUIIVOJO-CHWSQXEVSA-N 0 1 249.285 2.436 20 0 BEADMN CC(C)n1cc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175999510 977854547 /nfs/dbraw/zinc/85/45/47/977854547.db2.gz XPBGCBDDGBVJMJ-UHFFFAOYSA-N 0 1 242.286 2.479 20 0 BEADMN CC(C)n1cc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175999510 977854554 /nfs/dbraw/zinc/85/45/54/977854554.db2.gz XPBGCBDDGBVJMJ-UHFFFAOYSA-N 0 1 242.286 2.479 20 0 BEADMN Clc1cncc(Nc2ccc3nn[nH]c3c2)n1 ZINC001175996900 977855785 /nfs/dbraw/zinc/85/57/85/977855785.db2.gz VVUFJXGUHDDBDR-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cncc(Nc2ccc3n[nH]nc3c2)n1 ZINC001175996900 977855790 /nfs/dbraw/zinc/85/57/90/977855790.db2.gz VVUFJXGUHDDBDR-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Cc1cc(Nc2ccc3nn[nH]c3c2)sn1 ZINC001175999437 977857311 /nfs/dbraw/zinc/85/73/11/977857311.db2.gz TUVQOBJJHOBIBC-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1cc(Nc2ccc3n[nH]nc3c2)sn1 ZINC001175999437 977857321 /nfs/dbraw/zinc/85/73/21/977857321.db2.gz TUVQOBJJHOBIBC-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN CCc1cnc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175998788 977857810 /nfs/dbraw/zinc/85/78/10/977857810.db2.gz GXSGLRDEPAGFEZ-UHFFFAOYSA-N 0 1 240.270 2.054 20 0 BEADMN CCc1cnc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175998788 977857819 /nfs/dbraw/zinc/85/78/19/977857819.db2.gz GXSGLRDEPAGFEZ-UHFFFAOYSA-N 0 1 240.270 2.054 20 0 BEADMN CCc1cc(Nc2ccc3nn[nH]c3c2)on1 ZINC001175999335 977858502 /nfs/dbraw/zinc/85/85/02/977858502.db2.gz YQYTXFSKOWVHKT-UHFFFAOYSA-N 0 1 229.243 2.252 20 0 BEADMN CCc1cc(Nc2ccc3n[nH]nc3c2)on1 ZINC001175999335 977858504 /nfs/dbraw/zinc/85/85/04/977858504.db2.gz YQYTXFSKOWVHKT-UHFFFAOYSA-N 0 1 229.243 2.252 20 0 BEADMN Oc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176006267 977859776 /nfs/dbraw/zinc/85/97/76/977859776.db2.gz ZJUJDHDHTPCACQ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Oc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176006267 977859778 /nfs/dbraw/zinc/85/97/78/977859778.db2.gz ZJUJDHDHTPCACQ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN FC(F)Oc1ccccc1Nc1nnco1 ZINC001176007451 977862470 /nfs/dbraw/zinc/86/24/70/977862470.db2.gz GGCKFODHWVNPPZ-UHFFFAOYSA-N 0 1 227.170 2.415 20 0 BEADMN CC(=O)N1CCC(=Nc2cc(C)cc(F)n2)CC1 ZINC001176030728 977865837 /nfs/dbraw/zinc/86/58/37/977865837.db2.gz AMCQRKWHUBQZEO-UHFFFAOYSA-N 0 1 249.289 2.077 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1cncc(O)c1 ZINC001232039905 977866245 /nfs/dbraw/zinc/86/62/45/977866245.db2.gz NLWVYDBBSJLHMO-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001594875992 977868257 /nfs/dbraw/zinc/86/82/57/977868257.db2.gz ZGMPIJIWRXHBRT-JBLDHEPKSA-N 0 1 231.311 2.310 20 0 BEADMN CCC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001336703315 977870122 /nfs/dbraw/zinc/87/01/22/977870122.db2.gz JPNCHVSOUWMXNB-QJPTWQEYSA-N 0 1 247.342 2.304 20 0 BEADMN [O-]c1cncc(C[NH+]2CC3CCC(CC3)C2)c1 ZINC001232046819 977873458 /nfs/dbraw/zinc/87/34/58/977873458.db2.gz PAQXAWZBMNWYOT-UHFFFAOYSA-N 0 1 232.327 2.409 20 0 BEADMN CC(C)(C)n1cc(Nc2ncc[nH]2)cn1 ZINC001176079486 977874113 /nfs/dbraw/zinc/87/41/13/977874113.db2.gz KDIUBESNTZUGJM-UHFFFAOYSA-N 0 1 205.265 2.105 20 0 BEADMN Nc1cc(Cl)nc(Cl)c1Nc1ncc[nH]1 ZINC001176080712 977877248 /nfs/dbraw/zinc/87/72/48/977877248.db2.gz VYEDEPFOPPUWLF-UHFFFAOYSA-N 0 1 244.085 2.437 20 0 BEADMN C[C@H]1CCc2cc(N)ccc2N1c1ncc[nH]1 ZINC001176082586 977879179 /nfs/dbraw/zinc/87/91/79/977879179.db2.gz FBKKETCCICSJPN-VIFPVBQESA-N 0 1 228.299 2.465 20 0 BEADMN Cc1ccc(N)c(N(C)c2ncc[nH]2)c1 ZINC001176085299 977887097 /nfs/dbraw/zinc/88/70/97/977887097.db2.gz JNNWEZPRTGDTFK-UHFFFAOYSA-N 0 1 202.261 2.068 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001594932900 977887599 /nfs/dbraw/zinc/88/75/99/977887599.db2.gz OTHRXEINDILXGY-WXHSDQCUSA-N 0 1 249.285 2.088 20 0 BEADMN COC(=O)c1cccc(Nc2ncc[nH]2)c1F ZINC001176085675 977889797 /nfs/dbraw/zinc/88/97/97/977889797.db2.gz NQZHXWVTKHZREN-UHFFFAOYSA-N 0 1 235.218 2.079 20 0 BEADMN Fc1cccc(OC2COC2)c1Nc1ncc[nH]1 ZINC001176090489 977894147 /nfs/dbraw/zinc/89/41/47/977894147.db2.gz HVMXMCGLNMDMLC-UHFFFAOYSA-N 0 1 249.245 2.070 20 0 BEADMN c1cc(CN2CC[C@]3(C2)CCCCO3)sn1 ZINC001232188800 977910630 /nfs/dbraw/zinc/91/06/30/977910630.db2.gz MOYWFBFKXDBCSJ-LBPRGKRZSA-N 0 1 238.356 2.288 20 0 BEADMN COCC1CCN(Cc2cnsc2)CC1 ZINC001232223129 977911270 /nfs/dbraw/zinc/91/12/70/977911270.db2.gz CYPPKMHKTGAYPK-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN C[C@H]1C[C@H]2CN(Cc3ccns3)CC[C@H]2O1 ZINC001232189883 977912284 /nfs/dbraw/zinc/91/22/84/977912284.db2.gz KBTSLBMZNATWJJ-JBLDHEPKSA-N 0 1 238.356 2.142 20 0 BEADMN CCCCN1CCN(Cc2ccns2)CC1 ZINC001232193139 977919343 /nfs/dbraw/zinc/91/93/43/977919343.db2.gz RFJJBQJZGGLGMV-UHFFFAOYSA-N 0 1 239.388 2.061 20 0 BEADMN CO[C@H]1CCN(Cc2ncsc2C)[C@H](C)C1 ZINC001232206423 977934722 /nfs/dbraw/zinc/93/47/22/977934722.db2.gz GTWOJAPYEHKUPM-KOLCDFICSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1scnc1CN1CC[C@@H](C)[C@](C)(O)C1 ZINC001232210051 977939149 /nfs/dbraw/zinc/93/91/49/977939149.db2.gz LJGLCDJGOYVKHP-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN COc1cc(Nc2cncn2C)c(F)cc1F ZINC001176109143 977939122 /nfs/dbraw/zinc/93/91/22/977939122.db2.gz LXKBJDYNHBOVKF-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN c1nnc(CN2CCC[C@H](C3CCC3)CC2)[nH]1 ZINC001336808121 977973318 /nfs/dbraw/zinc/97/33/18/977973318.db2.gz NUWWAXLICGRTJX-LBPRGKRZSA-N 0 1 234.347 2.207 20 0 BEADMN c1nnc([N-]c2cccc(C[NH+]3CCCC3)c2)o1 ZINC001176194993 977986259 /nfs/dbraw/zinc/98/62/59/977986259.db2.gz SYZSTRXRJNGBHM-UHFFFAOYSA-N 0 1 244.298 2.409 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001595197031 977992192 /nfs/dbraw/zinc/99/21/92/977992192.db2.gz OOZPDZDBUAQIQI-LBPRGKRZSA-N 0 1 237.343 2.363 20 0 BEADMN Nc1cncn1-c1ccc(O)cc1C(F)(F)F ZINC001176339583 978032130 /nfs/dbraw/zinc/03/21/30/978032130.db2.gz ZMWSSMGJZAUNTQ-UHFFFAOYSA-N 0 1 243.188 2.179 20 0 BEADMN COc1cc(Cl)cc(-n2cnc(C)c2N)c1 ZINC001176346455 978034151 /nfs/dbraw/zinc/03/41/51/978034151.db2.gz DAXAAYXXAJSBOW-UHFFFAOYSA-N 0 1 237.690 2.425 20 0 BEADMN C[C@H]1CCN(Cc2cn3cc(F)ccc3n2)C1 ZINC001232411257 978051087 /nfs/dbraw/zinc/05/10/87/978051087.db2.gz QCLMZWHOZZPTEW-JTQLQIEISA-N 0 1 233.290 2.315 20 0 BEADMN CCN(Cc1cn2cc(F)ccc2n1)C1CC1 ZINC001232409861 978051810 /nfs/dbraw/zinc/05/18/10/978051810.db2.gz VDICFINRIPZTMV-UHFFFAOYSA-N 0 1 233.290 2.458 20 0 BEADMN C[C@@H]1CCN(Cc2cn3cc(F)ccc3n2)C1 ZINC001232411258 978051999 /nfs/dbraw/zinc/05/19/99/978051999.db2.gz QCLMZWHOZZPTEW-SNVBAGLBSA-N 0 1 233.290 2.315 20 0 BEADMN Nc1nc2ccccc2n1-c1csc(CO)c1 ZINC001176368292 978052390 /nfs/dbraw/zinc/05/23/90/978052390.db2.gz QOCNFLUGKFXCHS-UHFFFAOYSA-N 0 1 245.307 2.162 20 0 BEADMN Cc1c(F)cc(CN2C[C@H](O)[C@@H](C)C2)cc1F ZINC001232419876 978053001 /nfs/dbraw/zinc/05/30/01/978053001.db2.gz KTEBTTVKDPVYSQ-SDBXPKJASA-N 0 1 241.281 2.086 20 0 BEADMN C[C@]1(F)CCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001232424660 978057516 /nfs/dbraw/zinc/05/75/16/978057516.db2.gz KPPMSAAESVRYAS-ZDUSSCGKSA-N 0 1 237.322 2.222 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(O)cc1F ZINC001176410361 978077719 /nfs/dbraw/zinc/07/77/19/978077719.db2.gz SEEVXRIXUOIJCF-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Clc1ccnc2[nH]cc(CN3CCC3)c21 ZINC001232453372 978080067 /nfs/dbraw/zinc/08/00/67/978080067.db2.gz ADHQDVVGKQYVJI-UHFFFAOYSA-N 0 1 221.691 2.422 20 0 BEADMN Cc1ncc(CN2CCC[C@H](F)C(F)(F)C2)[nH]1 ZINC001232460467 978092595 /nfs/dbraw/zinc/09/25/95/978092595.db2.gz RMBGJWJLBOBHLU-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN CC1CCC(CNc2nccnc2CN)CC1 ZINC001336997859 978119741 /nfs/dbraw/zinc/11/97/41/978119741.db2.gz FSFMERZSXMYSBM-UHFFFAOYSA-N 0 1 234.347 2.174 20 0 BEADMN COCC1CN(Cc2c(C)cccc2F)C1 ZINC001232481840 978132242 /nfs/dbraw/zinc/13/22/42/978132242.db2.gz JEUCFGZICCZKFA-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN COC(=O)CCN(C)Cc1c(C)cccc1F ZINC001232483407 978132920 /nfs/dbraw/zinc/13/29/20/978132920.db2.gz IKYJKRWDTBDIMQ-UHFFFAOYSA-N 0 1 239.290 2.129 20 0 BEADMN CCOc1cc(Nc2nccn2C)c(F)cn1 ZINC001176600469 978144171 /nfs/dbraw/zinc/14/41/71/978144171.db2.gz GNLGYVXPQPOPSK-UHFFFAOYSA-N 0 1 236.250 2.097 20 0 BEADMN Fc1ccnc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001232494614 978146200 /nfs/dbraw/zinc/14/62/00/978146200.db2.gz VYSSGECRVAFUEQ-KPXOXKRLSA-N 0 1 224.254 2.153 20 0 BEADMN CC1(C)CCN(Cc2cc(F)ccn2)C1 ZINC001232493860 978150028 /nfs/dbraw/zinc/15/00/28/978150028.db2.gz GPBUDYNOVRFMLL-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cc(F)ccn3)C[C@@H]12 ZINC001232497932 978151970 /nfs/dbraw/zinc/15/19/70/978151970.db2.gz NPVQEXDWIIVIPJ-GXFFZTMASA-N 0 1 248.301 2.022 20 0 BEADMN CC[C@@H](F)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC001337077190 978153595 /nfs/dbraw/zinc/15/35/95/978153595.db2.gz UKEMRFKPZIIVRN-SNVBAGLBSA-N 0 1 248.261 2.158 20 0 BEADMN Nc1ccc(F)cc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001232509280 978156413 /nfs/dbraw/zinc/15/64/13/978156413.db2.gz KAAGEZXDDDOHGW-TXEJJXNPSA-N 0 1 248.301 2.104 20 0 BEADMN COc1cncc(OC)c1CN1C2CCC1CC2 ZINC001232504462 978158611 /nfs/dbraw/zinc/15/86/11/978158611.db2.gz PHJFQQCPPOOSMD-UHFFFAOYSA-N 0 1 248.326 2.226 20 0 BEADMN COC[C@@H]1CCCN1Cc1cccc(CF)n1 ZINC001232532832 978162626 /nfs/dbraw/zinc/16/26/26/978162626.db2.gz ASNGEQJDYSZAEM-ZDUSSCGKSA-N 0 1 238.306 2.162 20 0 BEADMN C[C@H]1CN(Cc2cccc(CF)n2)CCCO1 ZINC001232534420 978163398 /nfs/dbraw/zinc/16/33/98/978163398.db2.gz CVEQVZSKPIOUJN-NSHDSACASA-N 0 1 238.306 2.162 20 0 BEADMN CN(Cc1cccc(CF)n1)[C@@H]1CCCOC1 ZINC001232541501 978165723 /nfs/dbraw/zinc/16/57/23/978165723.db2.gz WTUTUSIXLFWYAK-CYBMUJFWSA-N 0 1 238.306 2.162 20 0 BEADMN c1[nH]c2nccnc2c1CN1CCCCC12CC2 ZINC001232548052 978169594 /nfs/dbraw/zinc/16/95/94/978169594.db2.gz WDFPNTVJZPZOGC-UHFFFAOYSA-N 0 1 242.326 2.428 20 0 BEADMN Cc1nonc1Nc1cccnc1N1CCCC1 ZINC001176743427 978170755 /nfs/dbraw/zinc/17/07/55/978170755.db2.gz KGDHRBBLFKTCBX-UHFFFAOYSA-N 0 1 245.286 2.117 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc3ccoc3cn2)CC[C@@H]1O ZINC001232550290 978174838 /nfs/dbraw/zinc/17/48/38/978174838.db2.gz RXUSHAWKGUVZON-GWCFXTLKSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@H]1CN(Cc2cc3ccoc3cn2)CC[C@@H]1O ZINC001232550290 978174847 /nfs/dbraw/zinc/17/48/47/978174847.db2.gz RXUSHAWKGUVZON-GWCFXTLKSA-N 0 1 246.310 2.031 20 0 BEADMN O[C@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)CC1 ZINC001232550602 978176033 /nfs/dbraw/zinc/17/60/33/978176033.db2.gz ZWQXKDQBQGQMLB-ZDUSSCGKSA-N 0 1 246.310 2.175 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)CCc1cc(C)[nH]n1 ZINC001596159870 978176632 /nfs/dbraw/zinc/17/66/32/978176632.db2.gz BDXXNUSQLSCRBF-DGCLKSJQSA-N 0 1 249.358 2.346 20 0 BEADMN CCC[C@H]1CCC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC001176782697 978179961 /nfs/dbraw/zinc/17/99/61/978179961.db2.gz MKMIDODVMWXNMK-NSHDSACASA-N 0 1 235.331 2.255 20 0 BEADMN CCC[C@H]1CCC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC001176782697 978179970 /nfs/dbraw/zinc/17/99/70/978179970.db2.gz MKMIDODVMWXNMK-NSHDSACASA-N 0 1 235.331 2.255 20 0 BEADMN CO[C@H](C)C1CN(Cc2cc3ccoc3cn2)C1 ZINC001232556644 978181883 /nfs/dbraw/zinc/18/18/83/978181883.db2.gz KJJPATWSBJITGP-SNVBAGLBSA-N 0 1 246.310 2.295 20 0 BEADMN CCOc1ccnc(C[N@@H+](CC)C2CC2)c1 ZINC001232580491 978188097 /nfs/dbraw/zinc/18/80/97/978188097.db2.gz YQHHGSHFWMJWCI-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CCOc1ccnc(CN(CC)C2CC2)c1 ZINC001232580491 978188106 /nfs/dbraw/zinc/18/81/06/978188106.db2.gz YQHHGSHFWMJWCI-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CCOc1ccnc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001232586377 978192526 /nfs/dbraw/zinc/19/25/26/978192526.db2.gz DBWOGKVVGZTFFW-SMDDNHRTSA-N 0 1 232.327 2.465 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccc2c(c1)N=NC2 ZINC001176833521 978198933 /nfs/dbraw/zinc/19/89/33/978198933.db2.gz OAXCHEFRCALDMO-UHFFFAOYSA-N 0 1 241.254 2.188 20 0 BEADMN CCc1ccc(NCc2n[nH]c(C3CC3)n2)nc1 ZINC001337175232 978199275 /nfs/dbraw/zinc/19/92/75/978199275.db2.gz FQDUOMDDFSGBCP-UHFFFAOYSA-N 0 1 243.314 2.252 20 0 BEADMN CNc1ccccc1CN1CCOCC12CCC2 ZINC001232673064 978231795 /nfs/dbraw/zinc/23/17/95/978231795.db2.gz QXHCWHJRPBHSLX-UHFFFAOYSA-N 0 1 246.354 2.483 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccccc1NC ZINC001232673316 978236892 /nfs/dbraw/zinc/23/68/92/978236892.db2.gz YRKMVCGUIDRSSS-CYBMUJFWSA-N 0 1 234.343 2.339 20 0 BEADMN Cc1c(CN2CC[C@@](C)(O)C2)ccnc1Cl ZINC001232752136 978262091 /nfs/dbraw/zinc/26/20/91/978262091.db2.gz RCYCHMPXPCHEAK-GFCCVEGCSA-N 0 1 240.734 2.000 20 0 BEADMN Cc1cc(CCC(=O)N(C)CCC(C)C)n[nH]1 ZINC001596931363 978274487 /nfs/dbraw/zinc/27/44/87/978274487.db2.gz MVVYREOKCLHECK-UHFFFAOYSA-N 0 1 237.347 2.155 20 0 BEADMN CCCn1cnc(CN2CCCCC2)c1 ZINC001232793649 978274777 /nfs/dbraw/zinc/27/47/77/978274777.db2.gz CXGSCUMBKMBFAL-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN CCCn1cnc(CN(C)CC(C)C)c1 ZINC001232796108 978282895 /nfs/dbraw/zinc/28/28/95/978282895.db2.gz UQTJMKOHFNPBND-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN CCCn1cnc(CN(CCOC)C(C)C)c1 ZINC001232798964 978292983 /nfs/dbraw/zinc/29/29/83/978292983.db2.gz RJKJUYHBIPVAMO-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN CCCn1cnc(CN2CCC[C@@H](CF)C2)c1 ZINC001232799164 978294397 /nfs/dbraw/zinc/29/43/97/978294397.db2.gz YLYWNTSEIRPMMB-LBPRGKRZSA-N 0 1 239.338 2.475 20 0 BEADMN CCCn1cnc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001232804011 978295856 /nfs/dbraw/zinc/29/58/56/978295856.db2.gz SZQTYGCDWLZBJL-WCQYABFASA-N 0 1 219.332 2.277 20 0 BEADMN CCCn1cnc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001232804011 978295868 /nfs/dbraw/zinc/29/58/68/978295868.db2.gz SZQTYGCDWLZBJL-WCQYABFASA-N 0 1 219.332 2.277 20 0 BEADMN CCc1ncc(CNC(=O)/C=C/C2CCCC2)[nH]1 ZINC001597256997 978306771 /nfs/dbraw/zinc/30/67/71/978306771.db2.gz FCWWXJZUHJDFML-BQYQJAHWSA-N 0 1 247.342 2.335 20 0 BEADMN Cc1cc(O)cc(CN2CCSCC2)c1 ZINC001232878484 978317853 /nfs/dbraw/zinc/31/78/53/978317853.db2.gz MWRHFZSNLMSMDZ-UHFFFAOYSA-N 0 1 223.341 2.249 20 0 BEADMN CC[N@@H+](C)Cc1ccc(F)c([O-])c1F ZINC001232933996 978340009 /nfs/dbraw/zinc/34/00/09/978340009.db2.gz UOGXUNYTARSPIN-UHFFFAOYSA-N 0 1 201.216 2.122 20 0 BEADMN CC[C@H](C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001337523554 978388340 /nfs/dbraw/zinc/38/83/40/978388340.db2.gz ZLMDPJDGYXWVMR-ZETCQYMHSA-N 0 1 232.287 2.251 20 0 BEADMN CC[C@@H](C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001337523553 978389102 /nfs/dbraw/zinc/38/91/02/978389102.db2.gz ZLMDPJDGYXWVMR-SSDOTTSWSA-N 0 1 232.287 2.251 20 0 BEADMN COC1CCN(Cc2cccc(O)c2F)CC1 ZINC001233050817 978440381 /nfs/dbraw/zinc/44/03/81/978440381.db2.gz WFBZLKYVLZWPQW-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN Oc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1F ZINC001233052110 978449462 /nfs/dbraw/zinc/44/94/62/978449462.db2.gz GFXYIPMEPXFCEV-GARJFASQSA-N 0 1 239.265 2.464 20 0 BEADMN c1ccn2nc(CN3CCC4(CC4)CC3)nc2c1 ZINC001233069824 978457821 /nfs/dbraw/zinc/45/78/21/978457821.db2.gz ARUPLSUZCLZPQU-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN Fc1ccc2c(c1)[nH]nc2CN1CC[C@H](F)C1 ZINC001233120061 978467916 /nfs/dbraw/zinc/46/79/16/978467916.db2.gz UJMXMNOIUVRCNW-VIFPVBQESA-N 0 1 237.253 2.246 20 0 BEADMN CC1(F)CN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233118748 978468476 /nfs/dbraw/zinc/46/84/76/978468476.db2.gz AYILDLSTUUJPMU-UHFFFAOYSA-N 0 1 237.253 2.246 20 0 BEADMN Cc1c[nH]c(=O)c(CN(C)Cc2ccccn2)c1 ZINC001233189160 978487590 /nfs/dbraw/zinc/48/75/90/978487590.db2.gz PCUOQOQTCKTIFD-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@H]1COCC[N@@H+]1Cc1ccc([S-])cc1 ZINC001233258446 978515181 /nfs/dbraw/zinc/51/51/81/978515181.db2.gz FTODYWXWKUDFHR-JTQLQIEISA-N 0 1 223.341 2.196 20 0 BEADMN C[C@H]1COCC[N@H+]1Cc1ccc([S-])cc1 ZINC001233258446 978515185 /nfs/dbraw/zinc/51/51/85/978515185.db2.gz FTODYWXWKUDFHR-JTQLQIEISA-N 0 1 223.341 2.196 20 0 BEADMN [S-]c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC001233261864 978519579 /nfs/dbraw/zinc/51/95/79/978519579.db2.gz HGSWGPVUDXFTEW-STQMWFEESA-N 0 1 249.379 2.444 20 0 BEADMN C[N@H+]1CC[C@H]2CN(Cc3ccc([S-])cc3)C[C@H]21 ZINC001233261744 978520296 /nfs/dbraw/zinc/52/02/96/978520296.db2.gz BXYSSIHJKARDLP-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN CN1CC[C@H]2C[N@H+](Cc3ccc([S-])cc3)C[C@H]21 ZINC001233261744 978520303 /nfs/dbraw/zinc/52/03/03/978520303.db2.gz BXYSSIHJKARDLP-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN CN1CC[C@H]2C[N@@H+](Cc3ccc([S-])cc3)C[C@H]21 ZINC001233261744 978520312 /nfs/dbraw/zinc/52/03/12/978520312.db2.gz BXYSSIHJKARDLP-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN Cc1cc(CN2CC[C@@H]3CCO[C@H]3C2)sn1 ZINC001233310545 978533576 /nfs/dbraw/zinc/53/35/76/978533576.db2.gz LDNLUDUVDSCZLI-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233291260 978536051 /nfs/dbraw/zinc/53/60/51/978536051.db2.gz SLASGIHFUHOWGN-UHFFFAOYSA-N 0 1 246.310 2.488 20 0 BEADMN NCc1nccnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001337875244 978543342 /nfs/dbraw/zinc/54/33/42/978543342.db2.gz IWVIHULRHJEZCP-GRYCIOLGSA-N 0 1 246.358 2.316 20 0 BEADMN CO[C@@H]1CCCN(Cc2sncc2C)C1 ZINC001233317788 978544666 /nfs/dbraw/zinc/54/46/66/978544666.db2.gz CWKRVNZEXREVBY-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN NCc1nccnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001337875246 978544867 /nfs/dbraw/zinc/54/48/67/978544867.db2.gz IWVIHULRHJEZCP-QJPTWQEYSA-N 0 1 246.358 2.316 20 0 BEADMN CCCO[C@@H]1CCN(Cc2sncc2C)C1 ZINC001233320566 978559035 /nfs/dbraw/zinc/55/90/35/978559035.db2.gz FPYIKAMVGLILNF-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CSCCN(C)Cc1sncc1C ZINC001233322652 978561398 /nfs/dbraw/zinc/56/13/98/978561398.db2.gz OOXQDCCJKJHMPD-UHFFFAOYSA-N 0 1 216.375 2.246 20 0 BEADMN Cc1cnsc1CN(C)[C@H]1CCCOC1 ZINC001233322665 978562649 /nfs/dbraw/zinc/56/26/49/978562649.db2.gz OWIWSFNDCPFWQI-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncc(CN2CC[C@@]3(C2)CCCCO3)o1 ZINC001233365229 978576538 /nfs/dbraw/zinc/57/65/38/978576538.db2.gz GJDIOKLDNHYXJZ-CYBMUJFWSA-N 0 1 236.315 2.128 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1n[nH]c(N(C)C)n1 ZINC001178677421 978604978 /nfs/dbraw/zinc/60/49/78/978604978.db2.gz HADWHMDGDBUQPN-NXEZZACHSA-N 0 1 237.351 2.109 20 0 BEADMN Cc1cc(CNCc2ccc(F)nc2)ccn1 ZINC001178765906 978624083 /nfs/dbraw/zinc/62/40/83/978624083.db2.gz JESGIHUUCLDYCG-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CC(C)[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587630 978629961 /nfs/dbraw/zinc/62/99/61/978629961.db2.gz VIOCTGRGDUBSNO-ZCFIWIBFSA-N 0 1 216.668 2.259 20 0 BEADMN O=c1cc(Cl)c(OC(C2CC2)C2CC2)n[nH]1 ZINC001233586520 978634652 /nfs/dbraw/zinc/63/46/52/978634652.db2.gz GDRVXOHIYBQJKC-UHFFFAOYSA-N 0 1 240.690 2.403 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC001233587646 978636127 /nfs/dbraw/zinc/63/61/27/978636127.db2.gz VXESLHBSXNDTRQ-KVSKUHBBSA-N 0 1 226.663 2.013 20 0 BEADMN CC(C)c1nc(NC(=O)CCC(C)(F)F)n[nH]1 ZINC001338240025 978638656 /nfs/dbraw/zinc/63/86/56/978638656.db2.gz CSJOISVHCYZDAG-UHFFFAOYSA-N 0 1 246.261 2.302 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CCC(C)(F)F)n1 ZINC001338240025 978638657 /nfs/dbraw/zinc/63/86/57/978638657.db2.gz CSJOISVHCYZDAG-UHFFFAOYSA-N 0 1 246.261 2.302 20 0 BEADMN O=C(C=C1CCC1)Nc1nc(-c2ccco2)n[nH]1 ZINC001338252920 978641435 /nfs/dbraw/zinc/64/14/35/978641435.db2.gz MBCXNWZXDRPWQA-UHFFFAOYSA-N 0 1 244.254 2.114 20 0 BEADMN CC=CC=CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001338252203 978644120 /nfs/dbraw/zinc/64/41/20/978644120.db2.gz HIJQUGBOUPGPQW-AOGGBPEJSA-N 0 1 244.254 2.136 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001338328641 978659475 /nfs/dbraw/zinc/65/94/75/978659475.db2.gz RJFQVIWQBVDTBF-IUCAKERBSA-N 0 1 246.314 2.122 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c(C)o1 ZINC001600192968 978672947 /nfs/dbraw/zinc/67/29/47/978672947.db2.gz HGIHTRYUUMAIJE-BXKDBHETSA-N 0 1 237.299 2.191 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)[nH]c1C(=O)[O-] ZINC001600193118 978673965 /nfs/dbraw/zinc/67/39/65/978673965.db2.gz XQYDDPUXBKVJLG-PHIMTYICSA-N 0 1 248.326 2.109 20 0 BEADMN CN1CCN(c2ccc(CC(C)(C)C)cn2)CC1 ZINC001249927727 978692495 /nfs/dbraw/zinc/69/24/95/978692495.db2.gz UPILTKWCIOSOGU-UHFFFAOYSA-N 0 1 247.386 2.422 20 0 BEADMN Cc1cccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)[O-])C2)c1 ZINC001600524292 978698326 /nfs/dbraw/zinc/69/83/26/978698326.db2.gz FSGSATUTPIMUED-WCQYABFASA-N 0 1 233.311 2.257 20 0 BEADMN c1cc(CN2CCC(c3ncccn3)CC2)co1 ZINC001204245207 978709011 /nfs/dbraw/zinc/70/90/11/978709011.db2.gz GWQMJFGAMDBIGF-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1[nH+]cn(C[C@@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC001600758396 978728467 /nfs/dbraw/zinc/72/84/67/978728467.db2.gz OGQJDTYUBCODAO-NWDGAFQWSA-N 0 1 236.315 2.391 20 0 BEADMN Cc1nsc(C)c1C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC001600819113 978738679 /nfs/dbraw/zinc/73/86/79/978738679.db2.gz CAADCQZRVXWTIQ-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN Cc1nsc(C)c1C[N@H+](C)C(C)(C)C(=O)[O-] ZINC001600819113 978738683 /nfs/dbraw/zinc/73/86/83/978738683.db2.gz CAADCQZRVXWTIQ-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN O=c1[nH]cc(CN2CCC2)c2ccccc21 ZINC001233965558 978740903 /nfs/dbraw/zinc/74/09/03/978740903.db2.gz XWODTWSTQCMUCV-UHFFFAOYSA-N 0 1 214.268 2.146 20 0 BEADMN Cn1cccc1[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC001600980386 978750384 /nfs/dbraw/zinc/75/03/84/978750384.db2.gz KGSGSMBGEHBAAA-GFCCVEGCSA-N 0 1 248.326 2.027 20 0 BEADMN Cn1cccc1[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC001600980388 978751031 /nfs/dbraw/zinc/75/10/31/978751031.db2.gz KGSGSMBGEHBAAA-LBPRGKRZSA-N 0 1 248.326 2.027 20 0 BEADMN C[N@H+]1CC[C@H](Oc2ccccc2OC(F)F)C1 ZINC001234021111 978756082 /nfs/dbraw/zinc/75/60/82/978756082.db2.gz ARNCYFUHUAYYIY-VIFPVBQESA-N 0 1 243.253 2.371 20 0 BEADMN CCOC(OCC)[C@@H](C)NCc1ccoc1 ZINC001179838024 978759743 /nfs/dbraw/zinc/75/97/43/978759743.db2.gz IFHQLEBLNZWXQT-SNVBAGLBSA-N 0 1 227.304 2.157 20 0 BEADMN COC(=O)c1cccc2nc(OC(C)C)[nH]c21 ZINC001234038255 978760104 /nfs/dbraw/zinc/76/01/04/978760104.db2.gz AEUKYZRNLRUFGA-UHFFFAOYSA-N 0 1 234.255 2.137 20 0 BEADMN CCOc1ccc(F)c(O[C@@H]2CC[N@@H+](C)C2)c1 ZINC001234199230 978791500 /nfs/dbraw/zinc/79/15/00/978791500.db2.gz VJNQYESZECFCRN-LLVKDONJSA-N 0 1 239.290 2.307 20 0 BEADMN CCOc1ccc(F)c(O[C@@H]2CCN(C)C2)c1 ZINC001234199230 978791507 /nfs/dbraw/zinc/79/15/07/978791507.db2.gz VJNQYESZECFCRN-LLVKDONJSA-N 0 1 239.290 2.307 20 0 BEADMN CC[C@H](C)C[C@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001339133582 978799001 /nfs/dbraw/zinc/79/90/01/978799001.db2.gz HHFLMOKPTCRTAE-WPRPVWTQSA-N 0 1 242.344 2.122 20 0 BEADMN COc1cc(F)c(O[C@H]2CCN(C)C2)cc1F ZINC001234271066 978807654 /nfs/dbraw/zinc/80/76/54/978807654.db2.gz MKSIZSSIXNIIJJ-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001601697065 978830342 /nfs/dbraw/zinc/83/03/42/978830342.db2.gz YTGSZNLNUCTENZ-ZHAHWJHGSA-N 0 1 235.258 2.046 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nc(CO)cs1 ZINC001180203172 978838794 /nfs/dbraw/zinc/83/87/94/978838794.db2.gz LHSLGQPGIJQJBR-GXSJLCMTSA-N 0 1 240.372 2.256 20 0 BEADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CC[C@@H]2C2CC2)o1 ZINC001601880376 978859994 /nfs/dbraw/zinc/85/99/94/978859994.db2.gz XAAVDYQTXZTYRU-URWSZGRFSA-N 0 1 247.294 2.362 20 0 BEADMN Cc1nc(C)c(CN2C[C@H]3[C@H](CC3(F)F)C2)[nH]1 ZINC001234600770 978869507 /nfs/dbraw/zinc/86/95/07/978869507.db2.gz HCDGPXLRBOJEMQ-ZJUUUORDSA-N 0 1 241.285 2.114 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(C)cs1 ZINC001180385380 978870401 /nfs/dbraw/zinc/87/04/01/978870401.db2.gz HTXJYKCBQCHFPZ-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN CCCn1cncc1CN(C)[C@H]1CCSC1 ZINC001180394920 978874302 /nfs/dbraw/zinc/87/43/02/978874302.db2.gz ZOTNVDDMUNUYLR-NSHDSACASA-N 0 1 239.388 2.230 20 0 BEADMN FC(F)n1cccc1CN1CCCC1 ZINC001180372666 978875172 /nfs/dbraw/zinc/87/51/72/978875172.db2.gz VPDRKNQNJIGRDF-UHFFFAOYSA-N 0 1 200.232 2.479 20 0 BEADMN CC(C)CC(C)(C)CNc1nccnc1CN ZINC001339611622 978879990 /nfs/dbraw/zinc/87/99/90/978879990.db2.gz ZHIBMYJDRORLDD-UHFFFAOYSA-N 0 1 236.363 2.420 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC001602009607 978881720 /nfs/dbraw/zinc/88/17/20/978881720.db2.gz KFLVJEKROPUFJD-CYBMUJFWSA-N 0 1 237.274 2.032 20 0 BEADMN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCCC2)cn1 ZINC001180577409 978897704 /nfs/dbraw/zinc/89/77/04/978897704.db2.gz UQJNEGDPTOCKGI-GFCCVEGCSA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@@H](Oc1nc(F)nc2nc[nH]c21)C(C)C ZINC001234694325 978899881 /nfs/dbraw/zinc/89/98/81/978899881.db2.gz ZQZULQZEVGUXBH-SSDOTTSWSA-N 0 1 238.266 2.305 20 0 BEADMN CCCCc1ccc(N2CCN(C)CC2)nc1 ZINC001249978298 978901895 /nfs/dbraw/zinc/90/18/95/978901895.db2.gz MSJCHLLYJPAPGS-UHFFFAOYSA-N 0 1 233.359 2.176 20 0 BEADMN c1cc2nc(O[C@H]3C[NH+]4CCC3CC4)[n-]c2s1 ZINC001234848779 978915881 /nfs/dbraw/zinc/91/58/81/978915881.db2.gz UCHFMLVJSGJJGH-JTQLQIEISA-N 0 1 249.339 2.097 20 0 BEADMN c1cc2[n-]c(O[C@H]3C[NH+]4CCC3CC4)nc2s1 ZINC001234848779 978915885 /nfs/dbraw/zinc/91/58/85/978915885.db2.gz UCHFMLVJSGJJGH-JTQLQIEISA-N 0 1 249.339 2.097 20 0 BEADMN CC=CC=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001180753357 978938038 /nfs/dbraw/zinc/93/80/38/978938038.db2.gz LOBYLULEOLNMDG-VNKDHWASSA-N 0 1 242.282 2.337 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2ccncc2c1)N(C)C ZINC001180862164 978958070 /nfs/dbraw/zinc/95/80/70/978958070.db2.gz ZUWKKEUTTABUQK-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN CC[C@H]1CCN(Cc2cc(COC)on2)[C@H]1C ZINC001181044708 978991099 /nfs/dbraw/zinc/99/10/99/978991099.db2.gz ZIVVSYVCZAYSHQ-QWRGUYRKSA-N 0 1 238.331 2.441 20 0 BEADMN C[C@@]1(O)CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235241906 979003171 /nfs/dbraw/zinc/00/31/71/979003171.db2.gz XMLLJGDWGLRXBR-CQSZACIVSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@@]1(O)CCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235241906 979003182 /nfs/dbraw/zinc/00/31/82/979003182.db2.gz XMLLJGDWGLRXBR-CQSZACIVSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@]1(O)CC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235241900 979004953 /nfs/dbraw/zinc/00/49/53/979004953.db2.gz XMLLJGDWGLRXBR-AWEZNQCLSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@]1(O)CCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235241900 979004957 /nfs/dbraw/zinc/00/49/57/979004957.db2.gz XMLLJGDWGLRXBR-AWEZNQCLSA-N 0 1 248.301 2.264 20 0 BEADMN CCc1cccc(CN2CC[C@H](C(C)=O)C2)n1 ZINC001235256724 979009917 /nfs/dbraw/zinc/00/99/17/979009917.db2.gz BCRQNFITMQCYQV-LBPRGKRZSA-N 0 1 232.327 2.055 20 0 BEADMN Cc1cnc(F)c(C[N@H+](CCCO)C(C)C)c1 ZINC001235336271 979027814 /nfs/dbraw/zinc/02/78/14/979027814.db2.gz ZALHBCFJNWNQLX-UHFFFAOYSA-N 0 1 240.322 2.122 20 0 BEADMN Cc1cnc(F)c(CN(CCCO)C(C)C)c1 ZINC001235336271 979027816 /nfs/dbraw/zinc/02/78/16/979027816.db2.gz ZALHBCFJNWNQLX-UHFFFAOYSA-N 0 1 240.322 2.122 20 0 BEADMN CC1(C)C[C@@H]1C(=O)NCc1[nH]nc2ccccc21 ZINC001181299806 979035640 /nfs/dbraw/zinc/03/56/40/979035640.db2.gz CUOLXWTWULTGMW-SNVBAGLBSA-N 0 1 243.310 2.225 20 0 BEADMN CCOc1cc(O)cc(CN2CC[C@H]2C)c1 ZINC001235390853 979036293 /nfs/dbraw/zinc/03/62/93/979036293.db2.gz CAKSHCAOMKFNSC-SNVBAGLBSA-N 0 1 221.300 2.385 20 0 BEADMN Cc1ncn(C)c1CN1CCCC(F)(F)CC1 ZINC001235540772 979082321 /nfs/dbraw/zinc/08/23/21/979082321.db2.gz NUQCLVCIIUHLJP-UHFFFAOYSA-N 0 1 243.301 2.350 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1cccn1C1CC1 ZINC001602211998 979086513 /nfs/dbraw/zinc/08/65/13/979086513.db2.gz DNIIKTJXFGMYMI-CYBMUJFWSA-N 0 1 248.326 2.262 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)[nH]1 ZINC001602338319 979106898 /nfs/dbraw/zinc/10/68/98/979106898.db2.gz JJPGSBINRXBOQI-LLVKDONJSA-N 0 1 248.326 2.335 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)[nH]1 ZINC001602339791 979106960 /nfs/dbraw/zinc/10/69/60/979106960.db2.gz JUPQIANZAKCUMK-BXKDBHETSA-N 0 1 234.299 2.087 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC001602468784 979115379 /nfs/dbraw/zinc/11/53/79/979115379.db2.gz NGLAIRNSYIKDGZ-QWRGUYRKSA-N 0 1 249.335 2.075 20 0 BEADMN Fc1ccc2nc(CN3CC[C@H](F)C3)[nH]c2c1 ZINC001235683848 979116802 /nfs/dbraw/zinc/11/68/02/979116802.db2.gz PSXDWMQFNVECEM-VIFPVBQESA-N 0 1 237.253 2.246 20 0 BEADMN CC(C)[C@H](C)C(=O)NCc1[nH]nc2ccccc21 ZINC001181501529 979123586 /nfs/dbraw/zinc/12/35/86/979123586.db2.gz MMMFJHBFXHSYAG-JTQLQIEISA-N 0 1 245.326 2.471 20 0 BEADMN Cc1nnc(SC[C@H](C)C(F)(F)F)[nH]1 ZINC001340912106 979154878 /nfs/dbraw/zinc/15/48/78/979154878.db2.gz QNZVSLMXDYEBMS-BYPYZUCNSA-N 0 1 225.239 2.404 20 0 BEADMN CSCCN(C)Cc1ccc(F)nc1C ZINC001235821365 979157193 /nfs/dbraw/zinc/15/71/93/979157193.db2.gz XVMUEQAWWKQIQS-UHFFFAOYSA-N 0 1 228.336 2.324 20 0 BEADMN Cc1cc(CN(C)C)cnc1Br ZINC001235819932 979160990 /nfs/dbraw/zinc/16/09/90/979160990.db2.gz SJXQABMOZLBQBH-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN CCc1nc([C@H](C)N[C@H](CC)CO)cs1 ZINC001341061067 979213980 /nfs/dbraw/zinc/21/39/80/979213980.db2.gz OKMGCEXUJUMOEM-DTWKUNHWSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](CC)CO)cs1 ZINC001341061069 979214783 /nfs/dbraw/zinc/21/47/83/979214783.db2.gz OKMGCEXUJUMOEM-RKDXNWHRSA-N 0 1 228.361 2.127 20 0 BEADMN CC[C@]1(O)CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC001341176294 979264676 /nfs/dbraw/zinc/26/46/76/979264676.db2.gz WJRDMVBIIWDEQH-GWCFXTLKSA-N 0 1 238.306 2.129 20 0 BEADMN O=c1occcc1-c1c(F)cc(F)c(O)c1F ZINC001236002674 979290170 /nfs/dbraw/zinc/29/01/70/979290170.db2.gz RKNWFOQXPMTGMX-UHFFFAOYSA-N 0 1 242.152 2.430 20 0 BEADMN c1nc2cccc(-c3cnc4nonc4c3)c2[nH]1 ZINC001236022227 979314684 /nfs/dbraw/zinc/31/46/84/979314684.db2.gz ROENAIPCUGVPKS-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC001602956833 979340465 /nfs/dbraw/zinc/34/04/65/979340465.db2.gz AEGXALOZCJRQHF-FZPLPXEFSA-N 0 1 245.269 2.139 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCc2c(F)cccc2C1 ZINC001602958802 979341387 /nfs/dbraw/zinc/34/13/87/979341387.db2.gz YXIPQKKIFGCBQS-YFHOEESVSA-N 0 1 249.285 2.215 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccco1)C1CCC1 ZINC001603199273 979398868 /nfs/dbraw/zinc/39/88/68/979398868.db2.gz XMRJMHQIMCYOBJ-SECBINFHSA-N 0 1 223.272 2.107 20 0 BEADMN CCN(Cc1noc2c1COCC2)C(C)(C)C ZINC001341497091 979438091 /nfs/dbraw/zinc/43/80/91/979438091.db2.gz HOJCKICWFSHLCX-UHFFFAOYSA-N 0 1 238.331 2.368 20 0 BEADMN Nc1ccc(-c2nccc3[nH]ccc32)cn1 ZINC001236307706 979509831 /nfs/dbraw/zinc/50/98/31/979509831.db2.gz JYFVLMIVHASRRS-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001603752880 979514596 /nfs/dbraw/zinc/51/45/96/979514596.db2.gz DVNSJIKNENHYEB-LPEHRKFASA-N 0 1 247.285 2.073 20 0 BEADMN Nc1ccc(-c2cccc3nc[nH]c32)cn1 ZINC001236312785 979515776 /nfs/dbraw/zinc/51/57/76/979515776.db2.gz WFIQQBPKULYUQG-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COc1cncc(-c2nccc3[nH]cnc32)c1C ZINC001236367332 979562730 /nfs/dbraw/zinc/56/27/30/979562730.db2.gz PXUGOEJVIPCSLP-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1ccc(F)c(-c2cc(N)cc[nH+]2)c1[O-] ZINC001236389489 979575396 /nfs/dbraw/zinc/57/53/96/979575396.db2.gz FFNZVHDGHUWIMR-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN COc1cnnc(-c2c(F)ccc(C)c2O)c1 ZINC001236394730 979580431 /nfs/dbraw/zinc/58/04/31/979580431.db2.gz ZQXNTQJDAUXULS-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cc1ccc(F)c(-c2ncncc2F)c1O ZINC001236394439 979580462 /nfs/dbraw/zinc/58/04/62/979580462.db2.gz WHDKICWXFPTOJT-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN C/C=C(/CC)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341916699 979593843 /nfs/dbraw/zinc/59/38/43/979593843.db2.gz WBQWTKMZENNBEA-KMKOMSMNSA-N 0 1 245.282 2.357 20 0 BEADMN C/C=C(/CC)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341916699 979593850 /nfs/dbraw/zinc/59/38/50/979593850.db2.gz WBQWTKMZENNBEA-KMKOMSMNSA-N 0 1 245.282 2.357 20 0 BEADMN CCn1ccc(CN2CCC23CCCC3)n1 ZINC001182754350 979615277 /nfs/dbraw/zinc/61/52/77/979615277.db2.gz NCNRXBYNMPGWMX-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604468601 979656785 /nfs/dbraw/zinc/65/67/85/979656785.db2.gz XLBOUAWRPBTVAV-HWNAMQAFSA-N 0 1 249.285 2.149 20 0 BEADMN CCc1ccc(C)nc1NC1CC(C(=O)OC)C1 ZINC001182872585 979664699 /nfs/dbraw/zinc/66/46/99/979664699.db2.gz FSYLAJAPUSCDLJ-UHFFFAOYSA-N 0 1 248.326 2.316 20 0 BEADMN Cc1nc(C)c(C[N@@H+](C)CCc2cccnc2)o1 ZINC001236591234 979672609 /nfs/dbraw/zinc/67/26/09/979672609.db2.gz LOTQTKUQOBLXHX-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN Cc1nc(C)c(CN(C)CCc2cccnc2)o1 ZINC001236591234 979672617 /nfs/dbraw/zinc/67/26/17/979672617.db2.gz LOTQTKUQOBLXHX-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN CCCCC(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC001342136425 979674351 /nfs/dbraw/zinc/67/43/51/979674351.db2.gz BIUSGEBXSPCMBN-UHFFFAOYSA-N 0 1 246.314 2.150 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1(C)C ZINC001604545321 979675286 /nfs/dbraw/zinc/67/52/86/979675286.db2.gz YZRXILHUAINEIK-SFYZADRCSA-N 0 1 247.285 2.073 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1(C)C ZINC001604545319 979675422 /nfs/dbraw/zinc/67/54/22/979675422.db2.gz YZRXILHUAINEIK-HTQZYQBOSA-N 0 1 247.285 2.073 20 0 BEADMN CO[C@@H]1CN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC001205255996 979745172 /nfs/dbraw/zinc/74/51/72/979745172.db2.gz NGPIPYMLEXSSPT-GXTWGEPZSA-N 0 1 248.301 2.337 20 0 BEADMN Cc1cccc(CN2CCN(C)CC2)c1Cl ZINC001236852368 979757559 /nfs/dbraw/zinc/75/75/59/979757559.db2.gz VNOLCAZJZIZKNT-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN CC[C@H]1CC[N@H+]([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170645 979822105 /nfs/dbraw/zinc/82/21/05/979822105.db2.gz CHCTWWWAWOLNQH-IUCAKERBSA-N 0 1 238.287 2.166 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170646 979822647 /nfs/dbraw/zinc/82/26/47/979822647.db2.gz CHCTWWWAWOLNQH-RKDXNWHRSA-N 0 1 238.287 2.166 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)n1C ZINC001605171912 979830680 /nfs/dbraw/zinc/83/06/80/979830680.db2.gz OSLQXPAWAYGXLC-SNVBAGLBSA-N 0 1 236.315 2.016 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2occc2[S-])C[C@@]1(C)O ZINC001237182631 979831282 /nfs/dbraw/zinc/83/12/82/979831282.db2.gz SMNXKAZXYXWVDW-BXKDBHETSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2[S-])C[C@@]1(C)O ZINC001237182631 979831285 /nfs/dbraw/zinc/83/12/85/979831285.db2.gz SMNXKAZXYXWVDW-BXKDBHETSA-N 0 1 241.356 2.161 20 0 BEADMN CCC[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001605303969 979852242 /nfs/dbraw/zinc/85/22/42/979852242.db2.gz AKGXAOUHZGDLEU-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN Oc1cc(F)cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001237282202 979861204 /nfs/dbraw/zinc/86/12/04/979861204.db2.gz ZTXDLMKPTKTREW-XYYAHUGASA-N 0 1 239.265 2.179 20 0 BEADMN CC[N@@H+](CCSC)Cc1ccc(C(=O)[O-])o1 ZINC001605453805 979877249 /nfs/dbraw/zinc/87/72/49/979877249.db2.gz YCMRZUDTGLSCIE-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN c1c(CN2C3CCC2CC3)nn2ccccc12 ZINC001237447658 979895714 /nfs/dbraw/zinc/89/57/14/979895714.db2.gz XCXFDIYFTANEIO-UHFFFAOYSA-N 0 1 227.311 2.461 20 0 BEADMN C[C@H]1CCCN1Cc1cc2ccccn2n1 ZINC001237443922 979897396 /nfs/dbraw/zinc/89/73/96/979897396.db2.gz XDYNGPIRTYSYIU-NSHDSACASA-N 0 1 215.300 2.319 20 0 BEADMN CC(C)c1cccc(CN2CC(CO)C2)c1 ZINC001237461576 979902963 /nfs/dbraw/zinc/90/29/63/979902963.db2.gz IBLSQTUQMISSFY-UHFFFAOYSA-N 0 1 219.328 2.234 20 0 BEADMN CCc1[nH+]ccn1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001605861948 979920321 /nfs/dbraw/zinc/92/03/21/979920321.db2.gz ISVDYAPGQLICHQ-WDEREUQCSA-N 0 1 236.315 2.337 20 0 BEADMN CCc1[nH+]ccn1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001605861945 979920446 /nfs/dbraw/zinc/92/04/46/979920446.db2.gz ISVDYAPGQLICHQ-GHMZBOCLSA-N 0 1 236.315 2.337 20 0 BEADMN CN1CCN(c2ccc(CC3CCC3)cn2)CC1 ZINC001250140777 979942300 /nfs/dbraw/zinc/94/23/00/979942300.db2.gz FTFXBGMXNOTDNG-UHFFFAOYSA-N 0 1 245.370 2.176 20 0 BEADMN Fc1ccc([C@H]2CCCN2Cc2nnc[nH]2)cc1 ZINC001237602564 979958021 /nfs/dbraw/zinc/95/80/21/979958021.db2.gz VSXCZTYYJLJVGM-GFCCVEGCSA-N 0 1 246.289 2.281 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1nc(C)co1 ZINC001237641943 979993599 /nfs/dbraw/zinc/99/35/99/979993599.db2.gz BRUXBAZGVWZMQN-LBPRGKRZSA-N 0 1 238.331 2.374 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001606313555 979996009 /nfs/dbraw/zinc/99/60/09/979996009.db2.gz STHVIXZKWWYUCF-JQWIXIFHSA-N 0 1 248.326 2.023 20 0 BEADMN Cc1coc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC001237650227 980003066 /nfs/dbraw/zinc/00/30/66/980003066.db2.gz VDZOHVXKCMRLBT-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OCC3CC3)C2)n[nH]1 ZINC001343090558 980005219 /nfs/dbraw/zinc/00/52/19/980005219.db2.gz UYDZDEKILLHRKU-CQSZACIVSA-N 0 1 249.358 2.109 20 0 BEADMN Cc1c(Cl)cccc1CN1CCN(C)CC1 ZINC001237731363 980038738 /nfs/dbraw/zinc/03/87/38/980038738.db2.gz PELFFWUIEFIXLS-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccc(F)c(C)n1 ZINC001237813737 980058409 /nfs/dbraw/zinc/05/84/09/980058409.db2.gz MUCURCQOQVEGNB-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CC(Oc2ccccc2)C1 ZINC001184428421 980079988 /nfs/dbraw/zinc/07/99/88/980079988.db2.gz LNAPKBKMPZPSAS-VXGBXAGGSA-N 0 1 217.312 2.406 20 0 BEADMN C[C@]1(F)CCCCN(Cc2c[nH]ccc2=O)C1 ZINC001237835144 980082849 /nfs/dbraw/zinc/08/28/49/980082849.db2.gz PJVRHLMYTGZEJB-ZDUSSCGKSA-N 0 1 238.306 2.089 20 0 BEADMN C[C@H]1CCC[C@H](C(=O)Nc2cccnc2CN)C1 ZINC001184514823 980102625 /nfs/dbraw/zinc/10/26/25/980102625.db2.gz FAZANUYBSNUVLO-QWRGUYRKSA-N 0 1 247.342 2.305 20 0 BEADMN COc1ccoc1CN1CCC[C@H](CF)C1 ZINC001237871929 980107827 /nfs/dbraw/zinc/10/78/27/980107827.db2.gz OEXFUUSUWXOPRH-SNVBAGLBSA-N 0 1 227.279 2.470 20 0 BEADMN CCC1(O)CCN(Cc2occc2OC)CC1 ZINC001237875495 980108675 /nfs/dbraw/zinc/10/86/75/980108675.db2.gz WEIGDKVXZBFHKW-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN Cc1cc(C[N@H+](C)CC(C)C)[nH]c1C(=O)[O-] ZINC001607636223 980117086 /nfs/dbraw/zinc/11/70/86/980117086.db2.gz OUDDTJPSWRSFOU-UHFFFAOYSA-N 0 1 224.304 2.109 20 0 BEADMN C[C@H]1CC[C@@H](CC(=O)NCc2cc(N)ccn2)C1 ZINC001331441179 980120416 /nfs/dbraw/zinc/12/04/16/980120416.db2.gz DNEUUEVMRQKJNL-WDEREUQCSA-N 0 1 247.342 2.106 20 0 BEADMN Cc1ccc(C[N@H+](C)Cc2c[nH]c(C(=O)[O-])c2)o1 ZINC001607777241 980127391 /nfs/dbraw/zinc/12/73/91/980127391.db2.gz KDLPXUFWPAAVKF-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1ccccc1CC[N@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC001607880160 980132471 /nfs/dbraw/zinc/13/24/71/980132471.db2.gz CQZZXULPNUOLDN-CQSZACIVSA-N 0 1 247.338 2.333 20 0 BEADMN Cc1cccc(NCc2ncc(C(=O)[O-])s2)[nH+]1 ZINC001607857005 980132560 /nfs/dbraw/zinc/13/25/60/980132560.db2.gz IQLZHAJKHUWRTH-UHFFFAOYSA-N 0 1 249.295 2.157 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1cccc2cncn21 ZINC001238102632 980152491 /nfs/dbraw/zinc/15/24/91/980152491.db2.gz GEDZTWOTFLCKHO-MNOVXSKESA-N 0 1 233.290 2.267 20 0 BEADMN CCN1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000005657037 980159173 /nfs/dbraw/zinc/15/91/73/980159173.db2.gz YJMRCOCONBCFNA-LBPRGKRZSA-N 0 1 218.300 2.109 20 0 BEADMN NC(=O)c1cnoc1Nc1coc2ccccc12 ZINC001203146948 980162868 /nfs/dbraw/zinc/16/28/68/980162868.db2.gz UVFUHRGAQIJDFV-UHFFFAOYSA-N 0 1 243.222 2.263 20 0 BEADMN CC1(CC(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC001185103901 980176845 /nfs/dbraw/zinc/17/68/45/980176845.db2.gz VWFGHRJBCTXECO-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN C[C@@H]1CCN(Cc2c(N)ccnc2F)[C@H](C)C1 ZINC001238155006 980180255 /nfs/dbraw/zinc/18/02/55/980180255.db2.gz ATOJNDQECWPCCA-NXEZZACHSA-N 0 1 237.322 2.423 20 0 BEADMN Cc1ncncc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001238164253 980194090 /nfs/dbraw/zinc/19/40/90/980194090.db2.gz LWXHMTMHQBUDTB-GFCCVEGCSA-N 0 1 223.295 2.109 20 0 BEADMN CCCOC1CCN(Cc2cncnc2C)CC1 ZINC001238171215 980202122 /nfs/dbraw/zinc/20/21/22/980202122.db2.gz UXHUYYCBOLTYIF-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@H]1C[C@@H](O)CCN1Cc1cncc(C2CC2)c1 ZINC001238186914 980216673 /nfs/dbraw/zinc/21/66/73/980216673.db2.gz GRFXWQFXIZJGNQ-NHYWBVRUSA-N 0 1 246.354 2.304 20 0 BEADMN CC[C@@H](C)CCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001185563219 980244010 /nfs/dbraw/zinc/24/40/10/980244010.db2.gz IVNBIHOZWMUJGR-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](C)CCC(=O)Nc1n[nH]c2nccnc12 ZINC001185562136 980244355 /nfs/dbraw/zinc/24/43/55/980244355.db2.gz GZWWOYCYIQJQPZ-MRVPVSSYSA-N 0 1 247.302 2.118 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001608633888 980250116 /nfs/dbraw/zinc/25/01/16/980250116.db2.gz JXGROFRWCGDIMM-DTRQGZQOSA-N 0 1 249.285 2.245 20 0 BEADMN O=C([O-])[C@@H]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC001608619718 980250205 /nfs/dbraw/zinc/25/02/05/980250205.db2.gz VUHMZFGOVOMASC-NXEZZACHSA-N 0 1 234.299 2.188 20 0 BEADMN Cc1cnc(CN2C[C@H]3CC[C@@H](C2)C3=O)c(C)c1 ZINC001238432226 980264522 /nfs/dbraw/zinc/26/45/22/980264522.db2.gz LVJMMNFBQYKUMI-BETUJISGSA-N 0 1 244.338 2.109 20 0 BEADMN Cc1ccsc1COC(=O)c1[nH]cnc1C ZINC001343881768 980266237 /nfs/dbraw/zinc/26/62/37/980266237.db2.gz JUKFONQDNMUVED-UHFFFAOYSA-N 0 1 236.296 2.445 20 0 BEADMN Cc1cc(CN2CCC[C@@H](O)C2)cnc1C1CC1 ZINC001238616084 980303919 /nfs/dbraw/zinc/30/39/19/980303919.db2.gz KZPONGIMRVWOFR-CQSZACIVSA-N 0 1 246.354 2.224 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1cccc(F)c1 ZINC001250233802 980347134 /nfs/dbraw/zinc/34/71/34/980347134.db2.gz JVIFDDAQZDLCAF-UHFFFAOYSA-N 0 1 218.231 2.283 20 0 BEADMN C[C@H](OC(=O)C12CCC(CC1)CC2)c1nnc[nH]1 ZINC001344219108 980357877 /nfs/dbraw/zinc/35/78/77/980357877.db2.gz NMFPCUVHWIBDBR-JBLZRFIASA-N 0 1 249.314 2.379 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691659360 980376028 /nfs/dbraw/zinc/37/60/28/980376028.db2.gz GKVXFZDKVMFFIW-TYUFSLCMSA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000691658840 980376928 /nfs/dbraw/zinc/37/69/28/980376928.db2.gz DHCDESIVKHIDKU-TUUUFIMRSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)n[nH]1 ZINC001344382013 980381247 /nfs/dbraw/zinc/38/12/47/980381247.db2.gz SHENJFOXBGTMIX-WCBMZHEXSA-N 0 1 247.264 2.491 20 0 BEADMN CCOc1cc(C)c(-c2cc(N)ccn2)cn1 ZINC001238970523 980397909 /nfs/dbraw/zinc/39/79/09/980397909.db2.gz CXIGOIZQNVHKPH-UHFFFAOYSA-N 0 1 229.283 2.433 20 0 BEADMN COc1cccc(-c2ncc3c(n2)CNC3)c1C ZINC001238981141 980407404 /nfs/dbraw/zinc/40/74/04/980407404.db2.gz ZMRMQFQSJFEATA-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CC(C)n1ccc(-c2ncc3c(n2)CNC3)c1 ZINC001239067499 980443444 /nfs/dbraw/zinc/44/34/44/980443444.db2.gz KXFVNBXUKZHKSH-UHFFFAOYSA-N 0 1 228.299 2.129 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC001344882894 980493805 /nfs/dbraw/zinc/49/38/05/980493805.db2.gz TXGDKQIJSKEYLI-MRVPVSSYSA-N 0 1 244.241 2.310 20 0 BEADMN CCc1ccccc1NC(=O)NCCN1CCC1 ZINC001187659600 980535556 /nfs/dbraw/zinc/53/55/56/980535556.db2.gz DKYRKXWSBIMDOB-UHFFFAOYSA-N 0 1 247.342 2.076 20 0 BEADMN CCC(CC)COC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001239334736 980541901 /nfs/dbraw/zinc/54/19/01/980541901.db2.gz MZVXDIRGFZHVCA-PHIMTYICSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2occ(C)c2C)n[nH]1 ZINC001345075870 980542745 /nfs/dbraw/zinc/54/27/45/980542745.db2.gz AGJNDTJQPOKNPJ-QMMMGPOBSA-N 0 1 249.270 2.241 20 0 BEADMN O=C(CCc1nc[nH]n1)OC1CCC2(CC2)CC1 ZINC001345159430 980571069 /nfs/dbraw/zinc/57/10/69/980571069.db2.gz OJJBOUIVYVHHBJ-UHFFFAOYSA-N 0 1 249.314 2.003 20 0 BEADMN CCN(C)C(=O)c1cc(-c2ccccc2F)[nH]n1 ZINC001188012626 980579686 /nfs/dbraw/zinc/57/96/86/980579686.db2.gz JMNPZSFUEVOBLF-UHFFFAOYSA-N 0 1 247.273 2.308 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(O)c(C)c1C ZINC001188059311 980581981 /nfs/dbraw/zinc/58/19/81/980581981.db2.gz XWQSEZOTFBPFPC-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN NC(=O)CCCCCc1ccc2cn[nH]c2c1 ZINC001250269494 980615027 /nfs/dbraw/zinc/61/50/27/980615027.db2.gz UAWJBCNZTYNYAA-UHFFFAOYSA-N 0 1 231.299 2.151 20 0 BEADMN Cc1[nH]nc2ccc(CCCCCC(N)=O)cc12 ZINC001250270406 980618080 /nfs/dbraw/zinc/61/80/80/980618080.db2.gz ABJPTRYBRVDVKU-UHFFFAOYSA-N 0 1 245.326 2.460 20 0 BEADMN Cc1nc2cccc(C3=CCOC3)c2[nH]1 ZINC001239486800 980637013 /nfs/dbraw/zinc/63/70/13/980637013.db2.gz SMPZPBXVXFSDJX-UHFFFAOYSA-N 0 1 200.241 2.285 20 0 BEADMN CSc1ccc(-c2ncnc3c2CNC3)cc1 ZINC001239493421 980652969 /nfs/dbraw/zinc/65/29/69/980652969.db2.gz BOTNIKDARLHBPU-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN COc1nc(-c2ccccc2C)nc2[nH]cnc21 ZINC001239500782 980663367 /nfs/dbraw/zinc/66/33/67/980663367.db2.gz LNWCROKSMMAZAI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)[C@@H](C)C(=O)N(C)CCC[N@@H+](C)CCF ZINC001273565241 980675760 /nfs/dbraw/zinc/67/57/60/980675760.db2.gz CGCIUCQGSAGZLK-GFCCVEGCSA-N 0 1 246.370 2.028 20 0 BEADMN CC(C)[C@@H](C)C(=O)N(C)CCCN(C)CCF ZINC001273565241 980675766 /nfs/dbraw/zinc/67/57/66/980675766.db2.gz CGCIUCQGSAGZLK-GFCCVEGCSA-N 0 1 246.370 2.028 20 0 BEADMN CCCC(=O)N1CC[C@H](N(C)C[C@@H](F)CC)C1 ZINC001188633734 980685394 /nfs/dbraw/zinc/68/53/94/980685394.db2.gz ILYNMPLPQAPSCP-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN CS[C@H](C)[C@@H](C)OC(=O)c1[nH]cnc1C ZINC001345913219 980707878 /nfs/dbraw/zinc/70/78/78/980707878.db2.gz OGOCSILUAQXJOP-HTQZYQBOSA-N 0 1 228.317 2.015 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)[C@H]1CC12CC2 ZINC001345953294 980716564 /nfs/dbraw/zinc/71/65/64/980716564.db2.gz CKRCPAXPQOKLSL-RKDXNWHRSA-N 0 1 220.272 2.064 20 0 BEADMN COCCC1CCN(Cc2cncc(C)n2)CC1 ZINC001203169958 980721596 /nfs/dbraw/zinc/72/15/96/980721596.db2.gz DQIWLVOZEWZUQI-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CCCC1(F)F ZINC001346158622 980771225 /nfs/dbraw/zinc/77/12/25/980771225.db2.gz LYZKTUYACWEFGL-MRVPVSSYSA-N 0 1 244.241 2.310 20 0 BEADMN Fc1cc(F)cc(-c2ncnc3c2CNC3)c1 ZINC001239653925 980828525 /nfs/dbraw/zinc/82/85/25/980828525.db2.gz YWQRDCKNUNJWSE-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CC/C=C/COC(=O)[C@@H]1CCCN1C(C)C ZINC001346487975 980851439 /nfs/dbraw/zinc/85/14/39/980851439.db2.gz LGLDYKRUKUTXBU-FYJFLYSWSA-N 0 1 225.332 2.369 20 0 BEADMN COc1ccc(-c2c[nH]cc3nc(C)nc2-3)cn1 ZINC001239728726 980881877 /nfs/dbraw/zinc/88/18/77/980881877.db2.gz SPBGBJLYLIDBOG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(-c2cncc3[nH]c(C)nc32)cn1 ZINC001239728726 980881882 /nfs/dbraw/zinc/88/18/82/980881882.db2.gz SPBGBJLYLIDBOG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C[C@H](C)CC)n[nH]1 ZINC001346679979 980882696 /nfs/dbraw/zinc/88/26/96/980882696.db2.gz YPXRFOYVNNAYQH-RKDXNWHRSA-N 0 1 239.319 2.408 20 0 BEADMN Cc1cc(C)c(C(=O)OCc2nnc[nH]2)c(C)c1 ZINC001346725166 980892934 /nfs/dbraw/zinc/89/29/34/980892934.db2.gz HAIUBMFXZMVEOE-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2coc(C)c2)n[nH]1 ZINC001346758315 980900753 /nfs/dbraw/zinc/90/07/53/980900753.db2.gz RPHOUCAGBOLHME-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN c1nnc(CN[C@H](c2ccccc2)C2CCC2)[nH]1 ZINC001347104322 980973521 /nfs/dbraw/zinc/97/35/21/980973521.db2.gz LJUPKTLXHALVOV-CQSZACIVSA-N 0 1 242.326 2.436 20 0 BEADMN Nc1ccc(-c2cc3nc[nH]c3cc2F)c(F)n1 ZINC001239831423 980974869 /nfs/dbraw/zinc/97/48/69/980974869.db2.gz QFSBXLIFKLJXLS-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595408732 981001345 /nfs/dbraw/zinc/00/13/45/981001345.db2.gz MYJQFBFEIAMDGP-GXSJLCMTSA-N 0 1 236.315 2.333 20 0 BEADMN Cc1cc(Nc2cnoc2)n(-c2ccncc2)n1 ZINC001203236897 981001914 /nfs/dbraw/zinc/00/19/14/981001914.db2.gz NZQCMHSNPQWXOI-UHFFFAOYSA-N 0 1 241.254 2.307 20 0 BEADMN c1nnc(CNc2ccc(C3CC3)cc2)[nH]1 ZINC001347178292 981004053 /nfs/dbraw/zinc/00/40/53/981004053.db2.gz LYUVECJCZZQIKR-UHFFFAOYSA-N 0 1 214.272 2.294 20 0 BEADMN Cc1cnc(C)c(-c2nc(F)nc3nc[nH]c32)c1 ZINC001239888186 981022634 /nfs/dbraw/zinc/02/26/34/981022634.db2.gz JAHJQLHWGSJHOS-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN COc1cncc(-c2cc(N(C)C)ccn2)c1 ZINC001239927157 981036103 /nfs/dbraw/zinc/03/61/03/981036103.db2.gz MXGMXGAOEKHBQF-UHFFFAOYSA-N 0 1 229.283 2.218 20 0 BEADMN Cn1ccc2cc(-c3cnc(CN)nc3)ccc21 ZINC001239941710 981050111 /nfs/dbraw/zinc/05/01/11/981050111.db2.gz IPPKLOMKVAFRLE-UHFFFAOYSA-N 0 1 238.294 2.094 20 0 BEADMN c1ccc2c(c1)cncc2-c1ncnc2c1CNC2 ZINC001239942751 981050340 /nfs/dbraw/zinc/05/03/40/981050340.db2.gz APDUTQVCJSWKAR-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ccc(F)c(-c2ncc3c(n2)CNC3)c1 ZINC001239962096 981060843 /nfs/dbraw/zinc/06/08/43/981060843.db2.gz CUIKKBPIBBVGMX-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CC(=O)Nc1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC001250432905 981078094 /nfs/dbraw/zinc/07/80/94/981078094.db2.gz CJQXWVRLNWPLRH-VIFPVBQESA-N 0 1 245.282 2.025 20 0 BEADMN c1cc2cnccc2c(-c2ncnc3c2CNC3)c1 ZINC001240006462 981095383 /nfs/dbraw/zinc/09/53/83/981095383.db2.gz TVVUWSYONKDWIC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCC[C@@H](C)OC(=O)c1[nH]cnc1C ZINC001347545371 981115299 /nfs/dbraw/zinc/11/52/99/981115299.db2.gz HOAALAMVRFEMMR-MRVPVSSYSA-N 0 1 210.277 2.454 20 0 BEADMN CCCn1cc(-c2cc(N)c(C)cn2)cn1 ZINC001240129410 981128931 /nfs/dbraw/zinc/12/89/31/981128931.db2.gz VIERTAMSESIKBL-UHFFFAOYSA-N 0 1 216.288 2.246 20 0 BEADMN CCCn1cc(-c2cccc3[nH]nnc32)cn1 ZINC001240133429 981135990 /nfs/dbraw/zinc/13/59/90/981135990.db2.gz FCINEUHHLBYNKZ-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN COc1cc(C)c(CN2CC3(COC3)C2)cc1C ZINC001203753235 981142379 /nfs/dbraw/zinc/14/23/79/981142379.db2.gz ZFYSUIJMFWTMFL-UHFFFAOYSA-N 0 1 247.338 2.144 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001595467510 981155551 /nfs/dbraw/zinc/15/55/51/981155551.db2.gz FVRYWTXSOZCLJB-SECBINFHSA-N 0 1 225.313 2.431 20 0 BEADMN Cc1ccc(-c2cncc3nc[nH]c32)cn1 ZINC001240223812 981180015 /nfs/dbraw/zinc/18/00/15/981180015.db2.gz KUFJFPSWRLDIEI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CN(C)Cc1ccc(-c2cncc(F)c2)nc1 ZINC001240233969 981192140 /nfs/dbraw/zinc/19/21/40/981192140.db2.gz GZPTWHCRURAEAG-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN COc1cc(-c2c[nH]cc3nc(C)nc2-3)ccn1 ZINC001240259369 981232712 /nfs/dbraw/zinc/23/27/12/981232712.db2.gz GNXHNYCOPUEUGV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(-c2cncc3[nH]c(C)nc32)ccn1 ZINC001240259369 981232714 /nfs/dbraw/zinc/23/27/14/981232714.db2.gz GNXHNYCOPUEUGV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1nc2cccc(-c3cnn(C)c3)c2[nH]1 ZINC001240296082 981248360 /nfs/dbraw/zinc/24/83/60/981248360.db2.gz HJNYVNRUAOHXHZ-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1cc(-c2ccc(=O)n(C)c2)cc2nc[nH]c21 ZINC001240333771 981303942 /nfs/dbraw/zinc/30/39/42/981303942.db2.gz YANVIMPQIIXLHK-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CCCCCc1cc(C(=O)N(CC)OC)[nH]n1 ZINC001348368346 981347488 /nfs/dbraw/zinc/34/74/88/981347488.db2.gz WWWORIVFJULPAG-UHFFFAOYSA-N 0 1 239.319 2.166 20 0 BEADMN c1cc2ncc(-c3ccc4nc[nH]c4c3)cn2n1 ZINC001240428718 981379937 /nfs/dbraw/zinc/37/99/37/981379937.db2.gz GCUZHWRSOSMLBH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCCCOC(=O)Nc1ncc(F)cc1O ZINC001193673657 981406540 /nfs/dbraw/zinc/40/65/40/981406540.db2.gz XJQNIWFJAGCQMV-UHFFFAOYSA-N 0 1 228.223 2.275 20 0 BEADMN CCCCOC(=O)N1CCN2CCCC[C@@H]2C1 ZINC001193686852 981410175 /nfs/dbraw/zinc/41/01/75/981410175.db2.gz WOQQDIMYKQSTKS-GFCCVEGCSA-N 0 1 240.347 2.093 20 0 BEADMN CC(C)N(C)C(=O)c1ccc(F)c(O)c1F ZINC001193771142 981431752 /nfs/dbraw/zinc/43/17/52/981431752.db2.gz XAUTZKYXMJEDHO-UHFFFAOYSA-N 0 1 229.226 2.151 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)NCC(C)(C)F ZINC001348742511 981434242 /nfs/dbraw/zinc/43/42/42/981434242.db2.gz YKXWHOHDLZOWOD-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN CC[C@@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193793745 981440317 /nfs/dbraw/zinc/44/03/17/981440317.db2.gz QSXVRXPBWGWKGS-ZCFIWIBFSA-N 0 1 229.226 2.199 20 0 BEADMN CCCCCOC(=O)N1CCN(CCC)CC1 ZINC001193761919 981444434 /nfs/dbraw/zinc/44/44/34/981444434.db2.gz GXQWCGNENLCKLM-UHFFFAOYSA-N 0 1 242.363 2.341 20 0 BEADMN Cc1[nH]ncc1-c1cnc(OC2CCC2)nc1 ZINC001240522830 981455395 /nfs/dbraw/zinc/45/53/95/981455395.db2.gz PEJSHPPQVYTURX-UHFFFAOYSA-N 0 1 230.271 2.106 20 0 BEADMN Cc1n[nH]cc1-c1cc2nc[nH]c2cc1F ZINC001240523418 981457795 /nfs/dbraw/zinc/45/77/95/981457795.db2.gz ZUXIDUKFUBCJKW-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001595574022 981490412 /nfs/dbraw/zinc/49/04/12/981490412.db2.gz OJFPREKQUABYRI-RYUDHWBXSA-N 0 1 245.363 2.233 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001595574023 981490507 /nfs/dbraw/zinc/49/05/07/981490507.db2.gz OJFPREKQUABYRI-VXGBXAGGSA-N 0 1 245.363 2.233 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001595579400 981507031 /nfs/dbraw/zinc/50/70/31/981507031.db2.gz UNQQIEQYSYZQGO-SECBINFHSA-N 0 1 224.304 2.333 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)c1C ZINC001349147218 981511733 /nfs/dbraw/zinc/51/17/33/981511733.db2.gz JBBJNPQRQNYFPC-RISCZKNCSA-N 0 1 249.358 2.325 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)ccc1O ZINC001240616046 981513460 /nfs/dbraw/zinc/51/34/60/981513460.db2.gz OAWBDPRIPUIANA-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCCN(CCCOCC)[C@@H](C)C(=O)OCC ZINC001194032076 981534429 /nfs/dbraw/zinc/53/44/29/981534429.db2.gz YNPYDKKHLGAGJV-LBPRGKRZSA-N 0 1 245.363 2.077 20 0 BEADMN CCCCCCOC(=O)NC[C@H]1CCC[N@H+]1C ZINC001194194188 981596088 /nfs/dbraw/zinc/59/60/88/981596088.db2.gz BPFJEMDRPAIMIB-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN c1cnc([C@@H]2CCCN2CC[C@H]2CCOC2)nc1 ZINC001349672866 981631791 /nfs/dbraw/zinc/63/17/91/981631791.db2.gz IHIYTVJVLXRRCU-STQMWFEESA-N 0 1 247.342 2.040 20 0 BEADMN Cc1cc(-c2cc3[nH]cnc3cn2)ccn1 ZINC001240715442 981717708 /nfs/dbraw/zinc/71/77/08/981717708.db2.gz ZZAKCMLJPSEVDT-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCO[C@@](C)(CC)C1 ZINC001595628017 981779460 /nfs/dbraw/zinc/77/94/60/981779460.db2.gz GKGIVSQADOPWQL-AAEUAGOBSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1c(F)cccc1-c1cc2c(nn1)CNC2 ZINC001240729905 981788107 /nfs/dbraw/zinc/78/81/07/981788107.db2.gz XOODOCDJODOAHG-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCO[C@@H](C)n1cc(-c2nccc(N)c2C)cn1 ZINC001240750910 981806492 /nfs/dbraw/zinc/80/64/92/981806492.db2.gz PVPYGXQGABGNDG-JTQLQIEISA-N 0 1 246.314 2.391 20 0 BEADMN Clc1cccc(CN2CC(C3COC3)C2)c1 ZINC001203795265 981810576 /nfs/dbraw/zinc/81/05/76/981810576.db2.gz BJXDSHACLGPIFS-UHFFFAOYSA-N 0 1 237.730 2.418 20 0 BEADMN Oc1ccc(-c2cc3[nH]cnc3cn2)cc1F ZINC001240783208 981823926 /nfs/dbraw/zinc/82/39/26/981823926.db2.gz PCIUSBHOLFDMFZ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CSc1cccnc1NC(=O)c1cocn1 ZINC001583586312 981825220 /nfs/dbraw/zinc/82/52/20/981825220.db2.gz HNGYLAXNHKDCHZ-UHFFFAOYSA-N 0 1 235.268 2.044 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001588597654 981855622 /nfs/dbraw/zinc/85/56/22/981855622.db2.gz XWIBYINAGHDCIC-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](C)COC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001194786237 981876557 /nfs/dbraw/zinc/87/65/57/981876557.db2.gz FAHZNLUKUNRYIA-UTUOFQBUSA-N 0 1 242.363 2.194 20 0 BEADMN COc1ccc(-c2ncnc3c2CNC3)cc1C ZINC001240862775 981905287 /nfs/dbraw/zinc/90/52/87/981905287.db2.gz LPTLBBUCDHWPLN-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CC(C)Cn1cc(-c2cncc3nc[nH]c32)cn1 ZINC001240887289 981938117 /nfs/dbraw/zinc/93/81/17/981938117.db2.gz BFGQFHINBOPDOP-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN CC(C)Cn1cc(-c2cncc3[nH]cnc32)cn1 ZINC001240887289 981938124 /nfs/dbraw/zinc/93/81/24/981938124.db2.gz BFGQFHINBOPDOP-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN CC(C)CCOC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001194867851 981944198 /nfs/dbraw/zinc/94/41/98/981944198.db2.gz KQKHXZSABBJALU-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)C(C)(C)C1 ZINC001194867851 981944206 /nfs/dbraw/zinc/94/42/06/981944206.db2.gz KQKHXZSABBJALU-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1cc(C[N@H+]2CC3CCC2CC3)nc(C)n1 ZINC001350371073 981948436 /nfs/dbraw/zinc/94/84/36/981948436.db2.gz HHDKJDPZLFVAKK-UHFFFAOYSA-N 0 1 231.343 2.468 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001350406195 981968325 /nfs/dbraw/zinc/96/83/25/981968325.db2.gz WBUJTLSVGOXQKY-KKZNHRDASA-N 0 1 247.342 2.063 20 0 BEADMN CC1(C[S@@](=O)Cc2nc[nH]n2)CCCCC1 ZINC001350428304 981975046 /nfs/dbraw/zinc/97/50/46/981975046.db2.gz JEOMEACSJJVPGG-INIZCTEOSA-N 0 1 241.360 2.024 20 0 BEADMN CCCC=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001350553203 982000278 /nfs/dbraw/zinc/00/02/78/982000278.db2.gz MXSGQNDLOXTSEE-SREVYHEPSA-N 0 1 222.292 2.223 20 0 BEADMN CCC/C=C\C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001350553203 982000291 /nfs/dbraw/zinc/00/02/91/982000291.db2.gz MXSGQNDLOXTSEE-SREVYHEPSA-N 0 1 222.292 2.223 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H]1C ZINC001586882315 982032091 /nfs/dbraw/zinc/03/20/91/982032091.db2.gz QJJHCYHDZRGHGR-NQMVMOMDSA-N 0 1 239.294 2.103 20 0 BEADMN NCc1ncc(-c2cc(F)c(F)c(F)c2)cn1 ZINC001240979771 982054963 /nfs/dbraw/zinc/05/49/63/982054963.db2.gz CRVXRPOZZZLVAT-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCCC2(C)C)n[nH]1 ZINC001587376281 982070338 /nfs/dbraw/zinc/07/03/38/982070338.db2.gz YOKRXASFMJGTBM-LBPRGKRZSA-N 0 1 249.358 2.346 20 0 BEADMN Oc1ccccc1-c1nccc2[nH]cnc21 ZINC001241002155 982084548 /nfs/dbraw/zinc/08/45/48/982084548.db2.gz TVGPEJXFPUIOTJ-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1ccccc1-c1nnc2ccccc2n1 ZINC001241009781 982100699 /nfs/dbraw/zinc/10/06/99/982100699.db2.gz XBJLGVCPHDIXMO-UHFFFAOYSA-N 0 1 223.235 2.397 20 0 BEADMN CC[C@H](C)OC(=O)N1CCN(CC)CC1(C)C ZINC001195119104 982102707 /nfs/dbraw/zinc/10/27/07/982102707.db2.gz YLCWAJFOPNKSKD-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN CC[C@@H](C)OC(=O)N1CCN(CC)CC1(C)C ZINC001195119103 982102956 /nfs/dbraw/zinc/10/29/56/982102956.db2.gz YLCWAJFOPNKSKD-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN CCOc1ccc(-c2cnc(CN)nc2)cc1F ZINC001241086884 982200890 /nfs/dbraw/zinc/20/08/90/982200890.db2.gz GWCLNIVWHFVNGI-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]1C ZINC001594876137 982212632 /nfs/dbraw/zinc/21/26/32/982212632.db2.gz KFPCBVMUIBWFSN-ZRUFSTJUSA-N 0 1 213.321 2.216 20 0 BEADMN [NH3+]Cc1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241118595 982236320 /nfs/dbraw/zinc/23/63/20/982236320.db2.gz RLBAJKJGDLFVLP-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN COc1cc2nc(-c3ccnnc3)[nH]c2cc1F ZINC001250830365 982338051 /nfs/dbraw/zinc/33/80/51/982338051.db2.gz BIEZEZAAAWVSIG-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CN(C)C1CN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001351769863 982382665 /nfs/dbraw/zinc/38/26/65/982382665.db2.gz PSPDVOYOWJLKOP-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN [NH3+]Cc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290992 982426343 /nfs/dbraw/zinc/42/63/43/982426343.db2.gz STSXKMKLBCHQDM-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN C=Cc1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC001250992046 982440925 /nfs/dbraw/zinc/44/09/25/982440925.db2.gz UIYLSTWWQXUEOD-NSHDSACASA-N 0 1 245.244 2.342 20 0 BEADMN CC(C)(C)SCCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC001588738601 982446551 /nfs/dbraw/zinc/44/65/51/982446551.db2.gz KNLNUSOTUHTQPU-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN CN(C(=O)c1cc(Cl)ncc1O)C(C)(C)C ZINC001196394616 982447070 /nfs/dbraw/zinc/44/70/70/982447070.db2.gz CZCJRNWNHGDXJE-UHFFFAOYSA-N 0 1 242.706 2.311 20 0 BEADMN O=C(Nc1ccccn1)c1cccc(F)c1O ZINC001352066508 982451149 /nfs/dbraw/zinc/45/11/49/982451149.db2.gz IHPKTNNCMSKLMG-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN CN1CC=C(c2ncc(C3CC3)cn2)CC1 ZINC001241309705 982452848 /nfs/dbraw/zinc/45/28/48/982452848.db2.gz XMVNSBRWUKHQAE-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CC(C)c1nccc(C2=CCN(C)CC2)n1 ZINC001241310503 982454754 /nfs/dbraw/zinc/45/47/54/982454754.db2.gz FRFOUASQHWXULR-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CC(=O)OC[C@H](C)N[C@@H](C)c1cnc(C)s1 ZINC001352078051 982455728 /nfs/dbraw/zinc/45/57/28/982455728.db2.gz KBSMARGCYFZHIH-YUMQZZPRSA-N 0 1 242.344 2.054 20 0 BEADMN CN1CC=C(c2ccc(-c3ccco3)nn2)CC1 ZINC001241312444 982458688 /nfs/dbraw/zinc/45/86/88/982458688.db2.gz APBDDAXINMTIHA-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086275 982461263 /nfs/dbraw/zinc/46/12/63/982461263.db2.gz ZELZOPHDVBIPTM-CMPLNLGQSA-N 0 1 243.310 2.216 20 0 BEADMN Cc1ccc(C2=CC[N@@H+](C)CC2)c(F)n1 ZINC001241321700 982479558 /nfs/dbraw/zinc/47/95/58/982479558.db2.gz ANDKTLYVCJKBHJ-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1ccc(C2=CCN(C)CC2)c(F)n1 ZINC001241321700 982479562 /nfs/dbraw/zinc/47/95/62/982479562.db2.gz ANDKTLYVCJKBHJ-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1cc(C2=CC[N@@H+](C)CC2)cnc1C ZINC001241321702 982482490 /nfs/dbraw/zinc/48/24/90/982482490.db2.gz ANLUNFKOKYIPGO-UHFFFAOYSA-N 0 1 202.301 2.417 20 0 BEADMN CN1CC=C(c2cc3c(cc2F)CC(=O)N3)CC1 ZINC001241322549 982483773 /nfs/dbraw/zinc/48/37/73/982483773.db2.gz PMSDLMRJQIDJII-UHFFFAOYSA-N 0 1 246.285 2.039 20 0 BEADMN CC(C)COc1cnc(C2=CCN(C)CC2)cn1 ZINC001241333639 982501592 /nfs/dbraw/zinc/50/15/92/982501592.db2.gz VTUMCFXUPZGGEP-UHFFFAOYSA-N 0 1 247.342 2.230 20 0 BEADMN COc1ncc(C)cc1-c1cc2nc[nH]c2cn1 ZINC001241362865 982521377 /nfs/dbraw/zinc/52/13/77/982521377.db2.gz YBHMHSOBHBIZJD-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cn1cc2cccc(-c3cc(N)ccn3)c2n1 ZINC001241464308 982616828 /nfs/dbraw/zinc/61/68/28/982616828.db2.gz KIWINYRHSOLJQB-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN CC(C)(CF)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC001353028756 982668727 /nfs/dbraw/zinc/66/87/27/982668727.db2.gz CGVZSUCRTVQGLX-UHFFFAOYSA-N 0 1 237.278 2.106 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@@H]1c1cccnc1 ZINC001589231429 982669969 /nfs/dbraw/zinc/66/99/69/982669969.db2.gz MCYJIPDTRWJDDU-CYBMUJFWSA-N 0 1 248.326 2.329 20 0 BEADMN CC1(C)C[N@H+](CC(=O)[O-])[C@@H]1c1cccs1 ZINC001589231534 982671356 /nfs/dbraw/zinc/67/13/56/982671356.db2.gz TTXDHCAJJMVDQK-SNVBAGLBSA-N 0 1 225.313 2.216 20 0 BEADMN CC1(C)C[N@@H+](CC(=O)[O-])[C@@H]1c1cccs1 ZINC001589231534 982671367 /nfs/dbraw/zinc/67/13/67/982671367.db2.gz TTXDHCAJJMVDQK-SNVBAGLBSA-N 0 1 225.313 2.216 20 0 BEADMN COC(=O)c1cncc(C[N@@H+](C)CC2CCC2)c1 ZINC001198414274 982705934 /nfs/dbraw/zinc/70/59/34/982705934.db2.gz KJRQRROYXYTQCL-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN CC[C@H](C)C[N@@H+](C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594961221 982714790 /nfs/dbraw/zinc/71/47/90/982714790.db2.gz YWJYCYMNNBJHFV-GXSJLCMTSA-N 0 1 241.331 2.112 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H](C)C2(C)CC2)o1 ZINC001198398657 982724837 /nfs/dbraw/zinc/72/48/37/982724837.db2.gz ZLFQOTASMUPWNH-SFYZADRCSA-N 0 1 209.293 2.217 20 0 BEADMN CCc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001241544404 982746163 /nfs/dbraw/zinc/74/61/63/982746163.db2.gz FLOATLQUZSKGQT-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN CCOc1ncc(-c2cncc3cc[nH]c32)cn1 ZINC001241551227 982770752 /nfs/dbraw/zinc/77/07/52/982770752.db2.gz PNCBGVGBACDPAN-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC001589445492 982792704 /nfs/dbraw/zinc/79/27/04/982792704.db2.gz PYOLLORYZRCBLR-RYUDHWBXSA-N 0 1 248.326 2.328 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC001589444835 982792799 /nfs/dbraw/zinc/79/27/99/982792799.db2.gz GIWFJZHQROXBAN-GJMOJQLCSA-N 0 1 239.237 2.122 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001589445112 982800441 /nfs/dbraw/zinc/80/04/41/982800441.db2.gz KMNCMFXTQLVIBW-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595863213 982806442 /nfs/dbraw/zinc/80/64/42/982806442.db2.gz XBDDEAWEERQUTI-UWVGGRQHSA-N 0 1 249.301 2.320 20 0 BEADMN Cc1nc2cccnc2c(C2=CCCN(C)C2)n1 ZINC001241567226 982813236 /nfs/dbraw/zinc/81/32/36/982813236.db2.gz RCCRIIOKTUFCKV-UHFFFAOYSA-N 0 1 240.310 2.052 20 0 BEADMN Cc1cc(C2=CCCN(C)C2)cc(F)n1 ZINC001241569125 982815936 /nfs/dbraw/zinc/81/59/36/982815936.db2.gz RNLHXNIYLRGUOI-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN C[C@H]1CCc2nnc(C3=CCCN(C)C3)cc2C1 ZINC001241569369 982816196 /nfs/dbraw/zinc/81/61/96/982816196.db2.gz WEYMPNCXOUXXBS-NSHDSACASA-N 0 1 243.354 2.320 20 0 BEADMN C[C@@H]1CCc2nnc(C3=CCCN(C)C3)cc2C1 ZINC001241569368 982817651 /nfs/dbraw/zinc/81/76/51/982817651.db2.gz WEYMPNCXOUXXBS-LLVKDONJSA-N 0 1 243.354 2.320 20 0 BEADMN COc1nccc(C)c1C1=CCCN(C)C1 ZINC001241570742 982821958 /nfs/dbraw/zinc/82/19/58/982821958.db2.gz PKHHYOLIKLBURI-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CC(C)CCCN(C)Cc1ccn(C)n1 ZINC001198622700 982824920 /nfs/dbraw/zinc/82/49/20/982824920.db2.gz NAWBZKXLUDXHJB-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN COc1ncc(C)cc1C1=CCCN(C)C1 ZINC001241570772 982825160 /nfs/dbraw/zinc/82/51/60/982825160.db2.gz LUUSMEFLAUOXGN-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN Cn1cc2c(cccc2-c2cc(N)ccn2)n1 ZINC001241578978 982829128 /nfs/dbraw/zinc/82/91/28/982829128.db2.gz ZEPAFNHFFIDMHN-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN CC/C=C/CC[N@H+](CC(=O)[O-])CC1CC1 ZINC001589627617 982851609 /nfs/dbraw/zinc/85/16/09/982851609.db2.gz XBPQUUWQILDSGC-ONEGZZNKSA-N 0 1 211.305 2.139 20 0 BEADMN CSc1ncc(-c2cc(N)c(C)cn2)cn1 ZINC001241627572 982865321 /nfs/dbraw/zinc/86/53/21/982865321.db2.gz LOYFXLPUYWJSOC-UHFFFAOYSA-N 0 1 232.312 2.151 20 0 BEADMN Cc1[nH]nc2cc(-c3ccnnc3)ccc21 ZINC001241640748 982876608 /nfs/dbraw/zinc/87/66/08/982876608.db2.gz XUYGYVXQZZKSMN-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1[nH]nc2cc(-c3ccnc(F)n3)ccc12 ZINC001241639088 982878175 /nfs/dbraw/zinc/87/81/75/982878175.db2.gz RJPDBMWYTJXWOB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC[N@@H+](Cc1ccc(C(C)=O)cc1)[C@H](C)C(=O)[O-] ZINC001589736504 982879191 /nfs/dbraw/zinc/87/91/91/982879191.db2.gz WCKHOPGDHBAUBL-SNVBAGLBSA-N 0 1 249.310 2.184 20 0 BEADMN COc1ccc(C)c(-c2ncc3c(n2)CNC3)c1 ZINC001241664010 982898459 /nfs/dbraw/zinc/89/84/59/982898459.db2.gz BDEOJJNNZNJWCA-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN COc1cncnc1-c1ccc2n[nH]c(C)c2c1 ZINC001241666783 982905288 /nfs/dbraw/zinc/90/52/88/982905288.db2.gz KHBRAZUIEYACAJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccnc1-c1ccc2[nH]cnc2c1 ZINC001241679795 982930518 /nfs/dbraw/zinc/93/05/18/982930518.db2.gz ADUZFJQGXOINFL-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(C)c1cncc(-c2ccc3[nH]cnc3c2)n1 ZINC001241681632 982934854 /nfs/dbraw/zinc/93/48/54/982934854.db2.gz XXDLTOGWDNRLRY-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CCOc1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001241681738 982935832 /nfs/dbraw/zinc/93/58/32/982935832.db2.gz ZTVIUMJOCIOWEL-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cnoc1C(C)C ZINC001353789387 983003499 /nfs/dbraw/zinc/00/34/99/983003499.db2.gz OSLZCOVTDAQISF-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN COc1cc(C)c(-c2nccc3[nH]cnc32)cn1 ZINC001241751044 983030999 /nfs/dbraw/zinc/03/09/99/983030999.db2.gz ZKQKOPUUMFPLAQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(C)c(-c2[nH]ccc3ncnc2-3)cn1 ZINC001241751044 983031005 /nfs/dbraw/zinc/03/10/05/983031005.db2.gz ZKQKOPUUMFPLAQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(C)c(-c2cncc3nc[nH]c32)cn1 ZINC001241761007 983034780 /nfs/dbraw/zinc/03/47/80/983034780.db2.gz IXXYOJLLLBZVHI-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1ncc(C)c(-c2ccc3[nH]nnc3c2)n1 ZINC001241937704 983146694 /nfs/dbraw/zinc/14/66/94/983146694.db2.gz CIFNIAQGXKLELZ-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ncc(C)c(-c2ccc3nn[nH]c3c2)n1 ZINC001241937704 983146704 /nfs/dbraw/zinc/14/67/04/983146704.db2.gz CIFNIAQGXKLELZ-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN CSc1ccc(-c2ccc3nn[nH]c3c2)nn1 ZINC001241941143 983154207 /nfs/dbraw/zinc/15/42/07/983154207.db2.gz XWHAGZRNJLAWCD-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN COc1ncc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241942369 983160179 /nfs/dbraw/zinc/16/01/79/983160179.db2.gz QRWMSMROLHYGHC-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ncc(-c2ccc3nn[nH]c3c2)cc1F ZINC001241942369 983160186 /nfs/dbraw/zinc/16/01/86/983160186.db2.gz QRWMSMROLHYGHC-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1nn(C)c(C)c1Nc1ccncc1 ZINC000082714575 983161727 /nfs/dbraw/zinc/16/17/27/983161727.db2.gz VLDVYNRRHZHWDE-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN CNc1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001241943107 983163026 /nfs/dbraw/zinc/16/30/26/983163026.db2.gz WDTAPPSOGHEJCQ-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN COc1nccc(-c2ccc3[nH]nnc3c2)c1C ZINC001241942661 983163789 /nfs/dbraw/zinc/16/37/89/983163789.db2.gz YVCSHKCSBDJLAZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(-c2ccc3nn[nH]c3c2)c1C ZINC001241942661 983163793 /nfs/dbraw/zinc/16/37/93/983163793.db2.gz YVCSHKCSBDJLAZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN c1ncn2cccc(-c3ccc4n[nH]nc4c3)c12 ZINC001241942911 983164182 /nfs/dbraw/zinc/16/41/82/983164182.db2.gz SRCLJZAHKVSIHL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCOc1cnc(NC2=CCSCC2)cn1 ZINC001201331955 983180529 /nfs/dbraw/zinc/18/05/29/983180529.db2.gz JUDLOTZFOZBREA-UHFFFAOYSA-N 0 1 237.328 2.308 20 0 BEADMN C[C@@H](C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1ccccc1 ZINC001592624544 983186143 /nfs/dbraw/zinc/18/61/43/983186143.db2.gz KHTWLGDWAZRVGN-SCUASFONSA-N 0 1 245.322 2.053 20 0 BEADMN CCc1cccc(CNc2nccnc2CN)c1 ZINC001354227933 983208072 /nfs/dbraw/zinc/20/80/72/983208072.db2.gz ZDVUHCBSPWRWLZ-UHFFFAOYSA-N 0 1 242.326 2.110 20 0 BEADMN C[C@@H]1c2ccccc2CN1c1nccnc1CN ZINC001354237081 983217105 /nfs/dbraw/zinc/21/71/05/983217105.db2.gz NVOSOZQFFWGLKG-SNVBAGLBSA-N 0 1 240.310 2.017 20 0 BEADMN c1cc2n(n1)CCN(C[C@H]1CC=CCC1)C2 ZINC001201427421 983229276 /nfs/dbraw/zinc/22/92/76/983229276.db2.gz MSBXVWQEYLBMAZ-LBPRGKRZSA-N 0 1 217.316 2.055 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CC(C)(C)C ZINC001201440241 983240722 /nfs/dbraw/zinc/24/07/22/983240722.db2.gz CTPHWXDNIDLAPL-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CC(=O)N[C@@H](C)C1 ZINC001201485823 983252757 /nfs/dbraw/zinc/25/27/57/983252757.db2.gz KNDBXLXNKZUBDJ-STQMWFEESA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CC(=O)NC[C@H]1C ZINC001201496523 983261025 /nfs/dbraw/zinc/26/10/25/983261025.db2.gz OANSPEWOQPXGCK-CHWSQXEVSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H](C)C[N@H+]1CCc2onc(COC)c2C1 ZINC001201501726 983273417 /nfs/dbraw/zinc/27/34/17/983273417.db2.gz AMKUCYQGLRQLSD-JTQLQIEISA-N 0 1 238.331 2.225 20 0 BEADMN CC[C@H](C)CN1CCc2onc(COC)c2C1 ZINC001201501726 983273426 /nfs/dbraw/zinc/27/34/26/983273426.db2.gz AMKUCYQGLRQLSD-JTQLQIEISA-N 0 1 238.331 2.225 20 0 BEADMN CC(C)Oc1cncc(Nc2ccncc2)c1 ZINC001201535170 983291188 /nfs/dbraw/zinc/29/11/88/983291188.db2.gz NWYJROJKPWCKJD-UHFFFAOYSA-N 0 1 229.283 2.429 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1cc(F)cc(F)c1O ZINC001354497198 983315490 /nfs/dbraw/zinc/31/54/90/983315490.db2.gz ZQUBQEHGZMNXRU-BQBZGAKWSA-N 0 1 241.237 2.056 20 0 BEADMN CCN1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001201573173 983338550 /nfs/dbraw/zinc/33/85/50/983338550.db2.gz LMJBUPJKFVQWPA-MNOVXSKESA-N 0 1 240.347 2.090 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)[C@@H]1CCSC1 ZINC001593742287 983352319 /nfs/dbraw/zinc/35/23/19/983352319.db2.gz YGNLARDCYIUUQM-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@]1(O)CCN(CCc2ccccc2)C[C@@H]1F ZINC001201595588 983354285 /nfs/dbraw/zinc/35/42/85/983354285.db2.gz OJOAAWDMSRWJHQ-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN CC(C)NC(=S)Nc1c(O)cc(F)cc1F ZINC001200785307 983362927 /nfs/dbraw/zinc/36/29/27/983362927.db2.gz DBUIMEJZKYXBKH-UHFFFAOYSA-N 0 1 246.282 2.365 20 0 BEADMN c1ccc(CCN2CCOC3(CC3)C2)cc1 ZINC001201610084 983371489 /nfs/dbraw/zinc/37/14/89/983371489.db2.gz OPHONHHHLBSVFP-UHFFFAOYSA-N 0 1 217.312 2.094 20 0 BEADMN NCc1ncc(/C=C/Cc2ccccc2)cn1 ZINC001242142193 983372278 /nfs/dbraw/zinc/37/22/78/983372278.db2.gz OJJRRNBASGMSFH-XBXARRHUSA-N 0 1 225.295 2.191 20 0 BEADMN c1ccc(CCN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001201610542 983373970 /nfs/dbraw/zinc/37/39/70/983373970.db2.gz YAVFOVWYPBXJCP-ZIAGYGMSSA-N 0 1 217.312 2.092 20 0 BEADMN CCCN1CC2(C1)CC(F)(F)CS2 ZINC001201646248 983402699 /nfs/dbraw/zinc/40/26/99/983402699.db2.gz WYOYGEBQUANNJS-UHFFFAOYSA-N 0 1 207.289 2.223 20 0 BEADMN CCCN1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001201652315 983403969 /nfs/dbraw/zinc/40/39/69/983403969.db2.gz LLHRTZOHSXOIRP-CYBMUJFWSA-N 0 1 246.354 2.243 20 0 BEADMN CCOc1nccc(-c2ccc(F)cc2O)n1 ZINC001242215784 983411115 /nfs/dbraw/zinc/41/11/15/983411115.db2.gz KUNNXYUGBLYNAR-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Oc1cc(F)ccc1-c1nccc2nc[nH]c21 ZINC001242217129 983415435 /nfs/dbraw/zinc/41/54/35/983415435.db2.gz RFWQXQWMXAKOTE-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cc(F)ccc1-c1ncnn2cccc12 ZINC001242218703 983420805 /nfs/dbraw/zinc/42/08/05/983420805.db2.gz LXZYBMIPWSQNNU-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN CCCCCN1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001201726101 983431502 /nfs/dbraw/zinc/43/15/02/983431502.db2.gz COZNKWUXVLJFFK-YPMHNXCESA-N 0 1 225.332 2.204 20 0 BEADMN c1cc2cc(-c3cc4c(nn3)CNC4)ccc2cn1 ZINC001242244765 983459667 /nfs/dbraw/zinc/45/96/67/983459667.db2.gz XKDIVZLKKSCQCX-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1cc2[nH]ncc2cc1-c1ccn(C)c(=O)c1 ZINC001242282579 983502760 /nfs/dbraw/zinc/50/27/60/983502760.db2.gz ZXSGDYVQXVWTQU-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1cc2[nH]ncc2cc1-c1ccnnc1 ZINC001242283161 983507065 /nfs/dbraw/zinc/50/70/65/983507065.db2.gz OJGSISHVXCTWBX-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@]1(C)O ZINC001202308258 983618886 /nfs/dbraw/zinc/61/88/86/983618886.db2.gz YGDFMFWYPWXGKL-BDAKNGLRSA-N 0 1 225.254 2.032 20 0 BEADMN Cn1cnc2c1ccnc2-c1cccc(F)c1O ZINC001242347864 983606951 /nfs/dbraw/zinc/60/69/51/983606951.db2.gz DQXRFQVBQXIUDO-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Oc1c(F)cccc1-c1ncnc2[nH]ccc21 ZINC001242348146 983608007 /nfs/dbraw/zinc/60/80/07/983608007.db2.gz NKLFRDFWJSOEQV-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cncnc1-c1cccc(F)c1O ZINC001242348654 983609966 /nfs/dbraw/zinc/60/99/66/983609966.db2.gz WUNDSNOBCLMLFH-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1c(F)cccc1-c1ncnc2c1COCC2 ZINC001242349215 983612530 /nfs/dbraw/zinc/61/25/30/983612530.db2.gz FKUAYDCDPKQLJM-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN Oc1c(F)cccc1-c1ncnc2cc[nH]c21 ZINC001242348574 983612631 /nfs/dbraw/zinc/61/26/31/983612631.db2.gz UZURPXUGHZWUEW-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCOc1cc(-c2cccc(F)c2O)ncn1 ZINC001242350539 983619542 /nfs/dbraw/zinc/61/95/42/983619542.db2.gz PUTOPJNJGJNQPQ-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Cc1c[nH]c(CNc2ccc3nc[nH]c3c2)n1 ZINC001202349951 983630052 /nfs/dbraw/zinc/63/00/52/983630052.db2.gz KKPUQWAPDXIFSN-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN c1cc2ccncc2c(-c2ncnc3c2CNC3)c1 ZINC001242368584 983663323 /nfs/dbraw/zinc/66/33/23/983663323.db2.gz LXLQUNCQSJTKPF-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ccc(-c2[nH]ccc3ncnc2-3)cc1CO ZINC001242381942 983667897 /nfs/dbraw/zinc/66/78/97/983667897.db2.gz MOPHMWKOWCAUFC-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(-c2nccc3[nH]cnc32)cc1CO ZINC001242381942 983667903 /nfs/dbraw/zinc/66/79/03/983667903.db2.gz MOPHMWKOWCAUFC-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCCC[C@@H](O)CN[C@@H](C)c1cscn1 ZINC001252108686 983682754 /nfs/dbraw/zinc/68/27/54/983682754.db2.gz RBCAMAYBQAREDZ-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001488650169 983689494 /nfs/dbraw/zinc/68/94/94/983689494.db2.gz DWJOLICJMMXUCZ-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)n1cc(-c2cccc3[nH]nnc32)cn1 ZINC001242436936 983740388 /nfs/dbraw/zinc/74/03/88/983740388.db2.gz BCTZVIIRZPSCAV-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CCOC(=O)CN(C1CC1)[C@H]1CC[C@@H](C)C1 ZINC000338955934 983752320 /nfs/dbraw/zinc/75/23/20/983752320.db2.gz ZJMUBEJKDHEPAP-PWSUYJOCSA-N 0 1 225.332 2.203 20 0 BEADMN CN(C)c1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001242525533 983848421 /nfs/dbraw/zinc/84/84/21/983848421.db2.gz XWVKYGTVIWNMBB-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CC(C)n1nccc1-c1ccc2[nH]nnc2c1 ZINC001242556438 983878275 /nfs/dbraw/zinc/87/82/75/983878275.db2.gz IYYJIAUPDPZKHX-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC/C=C/CCN1CC(=O)NC[C@@H]1C(C)(C)C ZINC001473828267 983894599 /nfs/dbraw/zinc/89/45/99/983894599.db2.gz XYQJAFDAUWLBTF-NNNHXZLVSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)(C)[C@@H]1CNC(=O)CN1CCCC1CC1 ZINC001473828261 983896120 /nfs/dbraw/zinc/89/61/20/983896120.db2.gz XRCYLHYFDUMOMH-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CC[N@@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001596378770 983898746 /nfs/dbraw/zinc/89/87/46/983898746.db2.gz WIEDWFNZRWFHKL-UHFFFAOYSA-N 0 1 248.282 2.328 20 0 BEADMN CC[N@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001596378770 983898758 /nfs/dbraw/zinc/89/87/58/983898758.db2.gz WIEDWFNZRWFHKL-UHFFFAOYSA-N 0 1 248.282 2.328 20 0 BEADMN Cc1cnc(-c2cccc3c2OCO3)cc1N ZINC001242586627 983899260 /nfs/dbraw/zinc/89/92/60/983899260.db2.gz ZXFXYSOYEVCCCV-UHFFFAOYSA-N 0 1 228.251 2.368 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C2 ZINC000049716108 983916734 /nfs/dbraw/zinc/91/67/34/983916734.db2.gz UJNAZESJSQJWTP-VHSXEESVSA-N 0 1 239.750 2.366 20 0 BEADMN Cc1ccc(NS(=O)(=O)c2cccnc2)cc1 ZINC000000428276 983934210 /nfs/dbraw/zinc/93/42/10/983934210.db2.gz URXUDAJYHFXFPO-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN COC[C@H]1CCN1Cc1[nH]nc2c1cccc2C ZINC001137152158 983981147 /nfs/dbraw/zinc/98/11/47/983981147.db2.gz JLEMMIKFOSBWFQ-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN O=c1[nH]cc(-c2ccc3cncn3c2)cc1F ZINC001242614329 983985572 /nfs/dbraw/zinc/98/55/72/983985572.db2.gz CYOZXVJAIUYMGL-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN COC[C@@H](C)CN1CC(Oc2ccccc2)C1 ZINC001561056033 984017516 /nfs/dbraw/zinc/01/75/16/984017516.db2.gz FDNWNNWBFKFAFH-LBPRGKRZSA-N 0 1 235.327 2.032 20 0 BEADMN CCCNC(=O)Nc1c(O)cc(F)cc1F ZINC001202592008 984101144 /nfs/dbraw/zinc/10/11/44/984101144.db2.gz LRKGCZJSPWWBOG-UHFFFAOYSA-N 0 1 230.214 2.202 20 0 BEADMN Cc1nnc(-c2cc(-c3cccs3)n[nH]2)o1 ZINC001253436479 984166063 /nfs/dbraw/zinc/16/60/63/984166063.db2.gz ADNDXTLAEROUHW-UHFFFAOYSA-N 0 1 232.268 2.497 20 0 BEADMN CCCCNc1cc(C)nc(N2C[C@@H]3C[C@@H]3C2)n1 ZINC000884592807 984176314 /nfs/dbraw/zinc/17/63/14/984176314.db2.gz WFKIZLXTQWZZDQ-TXEJJXNPSA-N 0 1 246.358 2.453 20 0 BEADMN CCCn1nccc1-c1nccc2[nH]cnc21 ZINC001242841391 984189619 /nfs/dbraw/zinc/18/96/19/984189619.db2.gz CFZSECDLEPVOAO-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN CCCn1nccc1-c1cccc2[nH]nnc21 ZINC001242844569 984193708 /nfs/dbraw/zinc/19/37/08/984193708.db2.gz YGKDQCBPXGDGLJ-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN Cc1ncn(C)c1Nc1cnc(F)cc1C ZINC001212814710 984230231 /nfs/dbraw/zinc/23/02/31/984230231.db2.gz NTLKALVVFPGVMA-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN Cc1nc2ncc(-c3ccncn3)c(C)c2[nH]1 ZINC001242920286 984296437 /nfs/dbraw/zinc/29/64/37/984296437.db2.gz CXRUTKLCFGFBPE-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN COCc1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001242956079 984319447 /nfs/dbraw/zinc/31/94/47/984319447.db2.gz YHEOZVCPHRTQQH-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COCc1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001242956079 984319454 /nfs/dbraw/zinc/31/94/54/984319454.db2.gz YHEOZVCPHRTQQH-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN OCc1cncc(-c2cccc3nc[nH]c32)c1 ZINC001242969867 984333518 /nfs/dbraw/zinc/33/35/18/984333518.db2.gz BUSLGTKUVGTMNH-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Cn1cncc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001243072468 984504706 /nfs/dbraw/zinc/50/47/06/984504706.db2.gz PNPKCGUGOGIZIF-UHFFFAOYSA-N 0 1 245.301 2.214 20 0 BEADMN COc1cccc(-c2cnc3nc[nH]c3c2C)n1 ZINC001243095191 984521713 /nfs/dbraw/zinc/52/17/13/984521713.db2.gz LGMWJTLOOSBQPO-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@H]1CC[C@H](NCc2nnc(C)o2)C1 ZINC000718896861 984558176 /nfs/dbraw/zinc/55/81/76/984558176.db2.gz XMKFQTYCQRIGCZ-UWVGGRQHSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1cc(CCC(=O)NCC2(C(C)C)CC2)n[nH]1 ZINC001445267192 984588365 /nfs/dbraw/zinc/58/83/65/984588365.db2.gz SRHUZYPKGKHPIL-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN C/C=C(\C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC001446858094 984702440 /nfs/dbraw/zinc/70/24/40/984702440.db2.gz RESXTMFLHJGMIU-ONNFQVAWSA-N 0 1 247.342 2.390 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC=C(F)C1 ZINC001446852875 984705015 /nfs/dbraw/zinc/70/50/15/984705015.db2.gz BWNWAJJPFFOGHP-UHFFFAOYSA-N 0 1 245.257 2.262 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)cc1O ZINC001243227701 984744745 /nfs/dbraw/zinc/74/47/45/984744745.db2.gz VARDYPQAUQXBDX-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN COc1cc(C)cc(-c2ncnc3c2CNC3)c1 ZINC001243240801 984771997 /nfs/dbraw/zinc/77/19/97/984771997.db2.gz MOQGLFFYXNNUQZ-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN C[C@H]([C@H](C)C(=O)Nc1c[nH]nn1)C(C)(C)C ZINC001447929516 984801018 /nfs/dbraw/zinc/80/10/18/984801018.db2.gz WWGCTOZVOHOVJU-JGVFFNPUSA-N 0 1 224.308 2.062 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccsc1C(F)F ZINC001447926692 984802773 /nfs/dbraw/zinc/80/27/73/984802773.db2.gz OEDHLTZCISYWFD-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN C[C@@H](C(=O)Nc1c[nH]nn1)[C@H](C)C(C)(C)C ZINC001447929521 984803318 /nfs/dbraw/zinc/80/33/18/984803318.db2.gz WWGCTOZVOHOVJU-SFYZADRCSA-N 0 1 224.308 2.062 20 0 BEADMN CC(=O)CCCCCSc1nnc(C)[nH]1 ZINC001326502659 984803904 /nfs/dbraw/zinc/80/39/04/984803904.db2.gz OPCFZWDHNMVJLY-UHFFFAOYSA-N 0 1 227.333 2.355 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@@H](C)Cc1ccncc1)C2 ZINC001256746382 984807633 /nfs/dbraw/zinc/80/76/33/984807633.db2.gz VSXJDCCYNFLUEV-QEJZJMRPSA-N 0 1 246.354 2.266 20 0 BEADMN C/C=C\C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001448501337 984812049 /nfs/dbraw/zinc/81/20/49/984812049.db2.gz HNHDXRCKNIFAQS-PLNGDYQASA-N 0 1 244.298 2.144 20 0 BEADMN Cn1ccc(-c2ccc(O)c(F)c2F)n1 ZINC001243338669 984827636 /nfs/dbraw/zinc/82/76/36/984827636.db2.gz HHUSOPDIFBWNSQ-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN COc1nccnc1-c1ccc(O)c(F)c1F ZINC001243339837 984827714 /nfs/dbraw/zinc/82/77/14/984827714.db2.gz VCYHJXSXBJTNDS-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Oc1ccc(-c2ncncc2F)c(F)c1F ZINC001243338391 984827735 /nfs/dbraw/zinc/82/77/35/984827735.db2.gz HZHXFEYGFCDSED-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Oc1ccc(-c2cccnn2)c(F)c1F ZINC001243338928 984829769 /nfs/dbraw/zinc/82/97/69/984829769.db2.gz IAXIWDXFWKGKQC-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1ccc(CN2CC3(CCN3C)C2)cc1F ZINC001276233403 984832345 /nfs/dbraw/zinc/83/23/45/984832345.db2.gz XSQGLUNPRCSRBE-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN Oc1ccc(-c2ccc3nccn3n2)c(F)c1F ZINC001243342310 984834461 /nfs/dbraw/zinc/83/44/61/984834461.db2.gz GKWNHYZTKWZJFU-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CCC[C@@H](CC)N(CC)CC(=O)OCC ZINC001257266049 984866186 /nfs/dbraw/zinc/86/61/86/984866186.db2.gz LOVMSTQHTWRIPF-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCC[C@H](CC)N(CC)CC(=O)OCC ZINC001257266050 984866242 /nfs/dbraw/zinc/86/62/42/984866242.db2.gz LOVMSTQHTWRIPF-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN Cc1cc(-c2cc3[nH]cnc3cn2)cnc1F ZINC001243394592 984884690 /nfs/dbraw/zinc/88/46/90/984884690.db2.gz ZWIKKQQYCIZNQB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCC[C@H](C)N1CCc2c(ncnc2OC)C1 ZINC001257319707 984892366 /nfs/dbraw/zinc/89/23/66/984892366.db2.gz AARHLVUUGIBVDQ-JTQLQIEISA-N 0 1 235.331 2.032 20 0 BEADMN CC[C@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001451578878 984895318 /nfs/dbraw/zinc/89/53/18/984895318.db2.gz CQSVLKSDEGMBFE-NSHDSACASA-N 0 1 247.273 2.430 20 0 BEADMN Clc1ccnc(CNC2CCCC2)n1 ZINC001257345255 984915902 /nfs/dbraw/zinc/91/59/02/984915902.db2.gz KSMPDNIMWDNGMP-UHFFFAOYSA-N 0 1 211.696 2.162 20 0 BEADMN OCc1ccc(-c2ccc3nc[nH]c3c2)cn1 ZINC001243464816 984985099 /nfs/dbraw/zinc/98/50/99/984985099.db2.gz COMJMJDUAFRFOE-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Cc1nonc1CN(C1CC1)C1CCCC1 ZINC000685985343 985024486 /nfs/dbraw/zinc/02/44/86/985024486.db2.gz AOTMQYOPAUPWFS-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN O=C(OCc1nnc[nH]1)C1[C@H]2CCCCCC[C@H]12 ZINC001327194740 985035035 /nfs/dbraw/zinc/03/50/35/985035035.db2.gz QIPZLJLXKPWTSZ-UWVGGRQHSA-N 0 1 249.314 2.064 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCCC23CC3)n[nH]1 ZINC001454564735 985037617 /nfs/dbraw/zinc/03/76/17/985037617.db2.gz KYXHIGPFPOSWSB-GFCCVEGCSA-N 0 1 247.342 2.100 20 0 BEADMN CN(CCSC(C)(C)C)Cc1cn[nH]c1 ZINC000686009521 985040902 /nfs/dbraw/zinc/04/09/02/985040902.db2.gz QYXSUHXUSWCKTF-UHFFFAOYSA-N 0 1 227.377 2.373 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001589247009 985041129 /nfs/dbraw/zinc/04/11/29/985041129.db2.gz IHCCOJSWLUKFJW-GFCCVEGCSA-N 0 1 243.322 2.455 20 0 BEADMN Cc1c(N)ccnc1-c1cccc(O)c1F ZINC001243541609 985069567 /nfs/dbraw/zinc/06/95/67/985069567.db2.gz GYIWDHUFWWPYBX-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001455385305 985077613 /nfs/dbraw/zinc/07/76/13/985077613.db2.gz KQYYDLPCVZWCLZ-GHMZBOCLSA-N 0 1 235.331 2.079 20 0 BEADMN Cc1ccnc(F)c1-c1cc2nc[nH]c2cn1 ZINC001243554322 985114592 /nfs/dbraw/zinc/11/45/92/985114592.db2.gz NHPVIJHUILPKNI-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC001456143522 985115883 /nfs/dbraw/zinc/11/58/83/985115883.db2.gz RXYRLEYPICOYRS-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN CC=CC=CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456345234 985134464 /nfs/dbraw/zinc/13/44/64/985134464.db2.gz KDWAJXOCWPJMBG-YTXTXJHMSA-N 0 1 233.315 2.282 20 0 BEADMN O=c1cccc(-c2cncc3cc[nH]c32)[nH]1 ZINC001243739366 985276500 /nfs/dbraw/zinc/27/65/00/985276500.db2.gz QSPHJOWOXPGOPA-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CCn1cc(-c2nccc3[nH]ccc32)ccc1=O ZINC001243831564 985434788 /nfs/dbraw/zinc/43/47/88/985434788.db2.gz FSGJKCAYDDDRPO-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN CN(C)c1ccc(-c2cccc3nc[nH]c32)nn1 ZINC001243927282 985597115 /nfs/dbraw/zinc/59/71/15/985597115.db2.gz JFCDXUXTAKYVEA-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN O=C1NCc2c1cccc2-c1cccc2nc[nH]c21 ZINC001243932932 985610457 /nfs/dbraw/zinc/61/04/57/985610457.db2.gz SDWKTQJMKXADLW-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN c1nc2cccc(-c3cncc4nnoc43)c2[nH]1 ZINC001243935105 985613044 /nfs/dbraw/zinc/61/30/44/985613044.db2.gz PTWJLGDAIOBCBP-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1cn2nc(-c3cccc4nc[nH]c43)ccc2n1 ZINC001243933761 985617742 /nfs/dbraw/zinc/61/77/42/985617742.db2.gz ZMHZIVPWZRXLJI-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COC(=O)c1c(F)cccc1C1=CNCCC1 ZINC001243952781 985659189 /nfs/dbraw/zinc/65/91/89/985659189.db2.gz UITVENXTEZBACQ-UHFFFAOYSA-N 0 1 235.258 2.337 20 0 BEADMN COCOc1ccc(OC)cc1C1=CNCCC1 ZINC001243952769 985661859 /nfs/dbraw/zinc/66/18/59/985661859.db2.gz UBDMBNFPEXIXQG-UHFFFAOYSA-N 0 1 249.310 2.402 20 0 BEADMN CCNC(=O)c1ccccc1C1=CNCCC1 ZINC001243953074 985670210 /nfs/dbraw/zinc/67/02/10/985670210.db2.gz TYBPTLNUKYUIRU-UHFFFAOYSA-N 0 1 230.311 2.161 20 0 BEADMN Cc1nc2cc(-c3cccnn3)ccc2[nH]1 ZINC001243962335 985672357 /nfs/dbraw/zinc/67/23/57/985672357.db2.gz BNISPEHYZGLFHI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1cncnc1-c1ccc2[nH]c(C)nc2c1 ZINC001243965018 985676874 /nfs/dbraw/zinc/67/68/74/985676874.db2.gz RQHCAXRDGUZIIC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)(C)c1cc(-c2cnc(CN)nc2)ccn1 ZINC001244019994 985756598 /nfs/dbraw/zinc/75/65/98/985756598.db2.gz AHHMUMHXBOSXQP-UHFFFAOYSA-N 0 1 242.326 2.295 20 0 BEADMN C[C@H]1C[N@@H+](CC2(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594509635 985780900 /nfs/dbraw/zinc/78/09/00/985780900.db2.gz WECRUSGWJOZZKN-SNVBAGLBSA-N 0 1 225.332 2.219 20 0 BEADMN Oc1cccc(Cl)c1-c1ccc2nncn2n1 ZINC001244046644 985781430 /nfs/dbraw/zinc/78/14/30/985781430.db2.gz AZLRJHNWOLOWGO-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN Oc1cccc(Cl)c1-c1cn2ncnc2cn1 ZINC001244050035 985781763 /nfs/dbraw/zinc/78/17/63/985781763.db2.gz IPEOUOIKDQGKSW-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H]1CCCC(C)(C)C1 ZINC001258279371 985785269 /nfs/dbraw/zinc/78/52/69/985785269.db2.gz HKTRKYISWAJZJV-LBPRGKRZSA-N 0 1 211.373 2.440 20 0 BEADMN CNc1ccnc(-c2cc(F)c(O)c(F)c2)n1 ZINC001244094320 985806514 /nfs/dbraw/zinc/80/65/14/985806514.db2.gz NYRYSFVEEUGAFX-UHFFFAOYSA-N 0 1 237.209 2.169 20 0 BEADMN Oc1c(F)cc(-c2cccn3ncnc23)cc1F ZINC001244096774 985807180 /nfs/dbraw/zinc/80/71/80/985807180.db2.gz OJACTRJWAJWIEZ-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Oc1c(F)cc(-c2ccn3cnnc3c2)cc1F ZINC001244096851 985809023 /nfs/dbraw/zinc/80/90/23/985809023.db2.gz PJYRLGLVCPACEV-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Oc1c(F)cc(-c2cnc(F)nc2)cc1F ZINC001244097814 985814169 /nfs/dbraw/zinc/81/41/69/985814169.db2.gz ZJQFRRXIBXLUNW-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC2(C)C)cc1C(=O)[O-] ZINC001599962878 985826661 /nfs/dbraw/zinc/82/66/61/985826661.db2.gz MONCBHGGFHPILH-UHFFFAOYSA-N 0 1 222.288 2.006 20 0 BEADMN COC(=O)CC[C@H](C)N[C@H](C)c1cscn1 ZINC001258351545 985829186 /nfs/dbraw/zinc/82/91/86/985829186.db2.gz SBELFXJJFIKFQP-DTWKUNHWSA-N 0 1 242.344 2.135 20 0 BEADMN CCOc1cnc(N=C2CCC(OC)CC2)cn1 ZINC001212875652 985835345 /nfs/dbraw/zinc/83/53/45/985835345.db2.gz SGDJBXORQQBPKG-LLVKDONJSA-N 0 1 249.314 2.370 20 0 BEADMN CO[C@@H]1CC=C(Nc2c(C)ncn2C)CC1 ZINC001212876746 985839476 /nfs/dbraw/zinc/83/94/76/985839476.db2.gz KCKKOOLJMWDAAH-LLVKDONJSA-N 0 1 221.304 2.223 20 0 BEADMN CO[C@@H]1CC=C(Nc2nnccc2C)CC1 ZINC001212877210 985843429 /nfs/dbraw/zinc/84/34/29/985843429.db2.gz UXZGFIRITILJFX-LLVKDONJSA-N 0 1 219.288 2.280 20 0 BEADMN CCCCC[C@H](CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258444902 985885413 /nfs/dbraw/zinc/88/54/13/985885413.db2.gz CJZUYQDPYUJPIF-SRVKXCTJSA-N 0 1 244.354 2.243 20 0 BEADMN C[C@@H](CC1CC1)N1CCN(C(C)(C)C)C(=O)C1 ZINC001258463737 985910992 /nfs/dbraw/zinc/91/09/92/985910992.db2.gz CNZHGOVJBVHRJB-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1c(F)cccc1-c1cc(N)ccn1 ZINC001244341519 985988677 /nfs/dbraw/zinc/98/86/77/985988677.db2.gz FFAYISOLTITKFE-UHFFFAOYSA-N 0 1 246.241 2.257 20 0 BEADMN CCn1cnc(Cl)c1CNC1(C)CC1 ZINC001461210031 986022451 /nfs/dbraw/zinc/02/24/51/986022451.db2.gz ZDXLHHUQEDNDRB-UHFFFAOYSA-N 0 1 213.712 2.199 20 0 BEADMN CN(C)c1nc(NC2CCC3(CCC3)CC2)n[nH]1 ZINC001461494974 986066710 /nfs/dbraw/zinc/06/67/10/986066710.db2.gz NPGHLOMBPRGPBJ-UHFFFAOYSA-N 0 1 249.362 2.396 20 0 BEADMN CC[C@H](CNCc1c(Cl)ncn1CC)OC ZINC001461546440 986077686 /nfs/dbraw/zinc/07/76/86/986077686.db2.gz GRXGQCALOWYXLL-SECBINFHSA-N 0 1 245.754 2.071 20 0 BEADMN NC(=O)c1cccnc1-c1ccc(Cl)cc1O ZINC001244465676 986125292 /nfs/dbraw/zinc/12/52/92/986125292.db2.gz BZPXENWHVGYILA-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN Oc1cc(Cl)ccc1-c1nccc2n[nH]nc21 ZINC001244466542 986136576 /nfs/dbraw/zinc/13/65/76/986136576.db2.gz PUGXQPRFOULJFI-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN CCc1nc(CNCC(C)(C)[C@H](C)O)cs1 ZINC001461795996 986155667 /nfs/dbraw/zinc/15/56/67/986155667.db2.gz MDOAGTBBJDIVOG-VIFPVBQESA-N 0 1 242.388 2.202 20 0 BEADMN Oc1cc(Cl)ccc1-c1nccn2ncnc12 ZINC001244473716 986156118 /nfs/dbraw/zinc/15/61/18/986156118.db2.gz YFNWEZHCAWBVAP-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCC1(C)C ZINC001579789912 986217765 /nfs/dbraw/zinc/21/77/65/986217765.db2.gz DJOIGFLOSVOWRO-STQMWFEESA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCC1(C)C ZINC001579789910 986218271 /nfs/dbraw/zinc/21/82/71/986218271.db2.gz DJOIGFLOSVOWRO-OLZOCXBDSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1[nH]ncc1CNc1cccc2c1CCN2 ZINC001579839611 986265795 /nfs/dbraw/zinc/26/57/95/986265795.db2.gz NTYFQEODNPEEHJ-UHFFFAOYSA-N 0 1 228.299 2.298 20 0 BEADMN CC1(C)CC[C@@H](CNCc2ncccc2F)O1 ZINC001462123634 986286739 /nfs/dbraw/zinc/28/67/39/986286739.db2.gz DBAVNKQAPKEWEQ-JTQLQIEISA-N 0 1 238.306 2.268 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H]2CCC[C@@H]21 ZINC001462156023 986297254 /nfs/dbraw/zinc/29/72/54/986297254.db2.gz WQZRDJFNXJSNBU-SRVKXCTJSA-N 0 1 248.374 2.311 20 0 BEADMN CC(C)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000689171993 986366992 /nfs/dbraw/zinc/36/69/92/986366992.db2.gz KWUVYECSSBHCTG-UHFFFAOYSA-N 0 1 213.302 2.287 20 0 BEADMN CCCN(Cc1nc(CO)cs1)C(C)C ZINC001462386673 986369862 /nfs/dbraw/zinc/36/98/62/986369862.db2.gz LFZCBVLAHAQMQN-UHFFFAOYSA-N 0 1 228.361 2.256 20 0 BEADMN CCOc1ccc(C)c(-c2cnc(CN)nc2)c1 ZINC001244869259 986409058 /nfs/dbraw/zinc/40/90/58/986409058.db2.gz JWIPQHUWTQRPKC-UHFFFAOYSA-N 0 1 243.310 2.309 20 0 BEADMN CO[C@@H](C)CNCc1ccc(C)nc1Cl ZINC001462550766 986424880 /nfs/dbraw/zinc/42/48/80/986424880.db2.gz QHWCKPZOQNETAM-VIFPVBQESA-N 0 1 228.723 2.168 20 0 BEADMN COc1ccc(-c2cc3[nH]cnc3cn2)cc1N ZINC001244892762 986424998 /nfs/dbraw/zinc/42/49/98/986424998.db2.gz OAMFLKIIEBDZFZ-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CSCC(C)(C)NCc1ncccc1F ZINC001462636694 986465620 /nfs/dbraw/zinc/46/56/20/986465620.db2.gz GHXUSALQOVUSCN-UHFFFAOYSA-N 0 1 228.336 2.452 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC001139156630 986507840 /nfs/dbraw/zinc/50/78/40/986507840.db2.gz YEQKKKXNDSCIGL-LBPRGKRZSA-N 0 1 244.338 2.399 20 0 BEADMN CNc1cc(-c2cccc3[nH]nnc32)ccn1 ZINC001244971626 986551093 /nfs/dbraw/zinc/55/10/93/986551093.db2.gz IICIEPTXJKLTSA-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN O=C(NCC1CC1)c1ccc(CN2CCCC2)o1 ZINC001463908510 986588205 /nfs/dbraw/zinc/58/82/05/986588205.db2.gz IYIFUCYOBCXFNI-UHFFFAOYSA-N 0 1 248.326 2.015 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CC[C@@H](C)SC2)[nH]1 ZINC000689430799 986603795 /nfs/dbraw/zinc/60/37/95/986603795.db2.gz FTXFAUIXTWRUEL-KHQFGBGNSA-N 0 1 240.376 2.048 20 0 BEADMN Oc1ccc(Cl)cc1-c1ccc2nncn2n1 ZINC001245051774 986612535 /nfs/dbraw/zinc/61/25/35/986612535.db2.gz HEJFAMUOYGINPD-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN C1CC12CCC(N1CC3(CCO3)C1)CC2 ZINC001254448460 986643020 /nfs/dbraw/zinc/64/30/20/986643020.db2.gz XMSQQDWVPKMSDM-UHFFFAOYSA-N 0 1 207.317 2.184 20 0 BEADMN c1cc2cnc(C3=CCCOC3)cc2[nH]1 ZINC001245157324 986687332 /nfs/dbraw/zinc/68/73/32/986687332.db2.gz FZRPSVUJPXDNED-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN c1nc2cccc(C3=CCCOC3)c2[nH]1 ZINC001245159060 986700654 /nfs/dbraw/zinc/70/06/54/986700654.db2.gz SCZXAHXDZVRBCY-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN O=C1C[C@H]2CC(N3CCn4cccc4C3)C[C@@H]2C1 ZINC001254954133 986762490 /nfs/dbraw/zinc/76/24/90/986762490.db2.gz OGVHKBDZINZWGX-VXGBXAGGSA-N 0 1 244.338 2.061 20 0 BEADMN Nc1cc(Nc2ccc(F)c(F)c2[O-])cc[nH+]1 ZINC001206577748 986764563 /nfs/dbraw/zinc/76/45/63/986764563.db2.gz DSQHXWLVMSAOEE-UHFFFAOYSA-N 0 1 237.209 2.391 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H](C)[C@@H](F)C2)[nH]1 ZINC001137322482 986766557 /nfs/dbraw/zinc/76/65/57/986766557.db2.gz GOURWOHTBKPWFU-KOLCDFICSA-N 0 1 210.296 2.421 20 0 BEADMN Cc1cc(C)c(CN2CCOC[C@@H]2C(C)C)[nH]1 ZINC001137329763 986781855 /nfs/dbraw/zinc/78/18/55/986781855.db2.gz NWNVRTMSUSFUNR-CQSZACIVSA-N 0 1 236.359 2.488 20 0 BEADMN CCc1nnc(-c2ccc3[nH]cnc3c2)o1 ZINC001255062015 986806082 /nfs/dbraw/zinc/80/60/82/986806082.db2.gz YIYBRBGQBWFWLF-UHFFFAOYSA-N 0 1 214.228 2.175 20 0 BEADMN COCCN(C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137370635 986836156 /nfs/dbraw/zinc/83/61/56/986836156.db2.gz LZRZAVNTOKOQJN-UHFFFAOYSA-N 0 1 224.348 2.390 20 0 BEADMN Cc1cc(CCC(=O)NC[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC001467732669 986868161 /nfs/dbraw/zinc/86/81/61/986868161.db2.gz HMSRTPKPBUSGDA-CMPLNLGQSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ncccc23)C[C@@H](C)O1 ZINC001137396877 986875275 /nfs/dbraw/zinc/87/52/75/986875275.db2.gz UHUNZFLIBCFJSX-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CCSC1 ZINC001255269836 986878888 /nfs/dbraw/zinc/87/88/88/986878888.db2.gz PARFDDWQOBZQJP-VIFPVBQESA-N 0 1 241.331 2.429 20 0 BEADMN Cc1cccc2c1[C@H](N[C@H]1CCSC1)C(=O)N2 ZINC001255269107 986878922 /nfs/dbraw/zinc/87/89/22/986878922.db2.gz YWPHEQDIMSTAEY-CABZTGNLSA-N 0 1 248.351 2.083 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ncccc23)[C@H](C)CO1 ZINC001137404380 986882323 /nfs/dbraw/zinc/88/23/23/986882323.db2.gz IBUVURVPICBGOS-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1nc(C(C)C)co1 ZINC001468218427 986892130 /nfs/dbraw/zinc/89/21/30/986892130.db2.gz BQUIDXRURSQSPJ-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN O=C(Nc1n[nH]c2cc(O)ccc21)C1=CCCC1 ZINC001468310681 986905716 /nfs/dbraw/zinc/90/57/16/986905716.db2.gz LBRPFCUOHUKDJA-UHFFFAOYSA-N 0 1 243.266 2.317 20 0 BEADMN CCCC[C@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001255332421 986931022 /nfs/dbraw/zinc/93/10/22/986931022.db2.gz OUBDQEPVRXQDFC-NWDGAFQWSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1cc(F)c(-c2cnc(CN)nc2)cc1F ZINC001245545591 986933714 /nfs/dbraw/zinc/93/37/14/986933714.db2.gz XFLAKEDYJZYNBG-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN Cc1ccc2[nH]c(-c3cnc(CN)nc3)cc2c1 ZINC001245571688 986968145 /nfs/dbraw/zinc/96/81/45/986968145.db2.gz MCCIPQPDJIVSET-UHFFFAOYSA-N 0 1 238.294 2.392 20 0 BEADMN Nc1cccnc1-c1cc(O)c(F)c(F)c1F ZINC001245635972 987009037 /nfs/dbraw/zinc/00/90/37/987009037.db2.gz XWNSHZODSYSVMO-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Cn1cnc2c1ccnc2-c1c(O)cccc1F ZINC001245651479 987012150 /nfs/dbraw/zinc/01/21/50/987012150.db2.gz APROWVYAIWIMIE-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN COC[C@@H](C)NCc1cc(F)cc(F)c1OC ZINC001255553158 987012192 /nfs/dbraw/zinc/01/21/92/987012192.db2.gz LBBDHMHWCGIODO-MRVPVSSYSA-N 0 1 245.269 2.098 20 0 BEADMN Oc1cccc(F)c1-c1ccc2nc[nH]c2n1 ZINC001245651566 987015273 /nfs/dbraw/zinc/01/52/73/987015273.db2.gz FHGYSGBAWFPUFO-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1nc(-c2c(O)cccc2F)cc(N(C)C)n1 ZINC001245651718 987017791 /nfs/dbraw/zinc/01/77/91/987017791.db2.gz GAVDFYPZPFOMDH-UHFFFAOYSA-N 0 1 247.273 2.363 20 0 BEADMN CN(C)c1cnc(-c2c(O)cccc2F)cn1 ZINC001245653069 987022500 /nfs/dbraw/zinc/02/25/00/987022500.db2.gz GJIGBAVAFXXYSP-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Nc1cnc(-c2c(O)cccc2F)c(F)c1 ZINC001245654773 987034309 /nfs/dbraw/zinc/03/43/09/987034309.db2.gz RFDXPMMODCMWEE-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN NC(=S)c1ccnc(-c2c(O)cccc2F)c1 ZINC001245654709 987035431 /nfs/dbraw/zinc/03/54/31/987035431.db2.gz ULPUYXLQYCANDP-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN CCOc1cnc(-c2c(O)cccc2F)cn1 ZINC001245657063 987038842 /nfs/dbraw/zinc/03/88/42/987038842.db2.gz PRUYESRMOQBGAR-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN c1cc2cnc(-c3ccc4nncn4c3)cc2[nH]1 ZINC001245657451 987045223 /nfs/dbraw/zinc/04/52/23/987045223.db2.gz OHAZKTVMKIBABL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1ncn2cccc(-c3ccc4nncn4c3)c12 ZINC001245661954 987053992 /nfs/dbraw/zinc/05/39/92/987053992.db2.gz ZNHMSMYSILMEQW-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CCn3ccnc32)CS1 ZINC000689578821 987063573 /nfs/dbraw/zinc/06/35/73/987063573.db2.gz CNQSJDXVDAXJBR-VWYCJHECSA-N 0 1 237.372 2.202 20 0 BEADMN Cc1nc(Cl)ccc1-c1ncnc2c1CNC2 ZINC001245768541 987077685 /nfs/dbraw/zinc/07/76/85/987077685.db2.gz MXHPROCGYMPHDQ-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN Cc1nccc(-c2ccc3cncn3c2)n1 ZINC001245894393 987104057 /nfs/dbraw/zinc/10/40/57/987104057.db2.gz HOPNFPIPULEKRB-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN COc1ccnc(-c2ccc3cncn3c2)c1 ZINC001245894390 987107409 /nfs/dbraw/zinc/10/74/09/987107409.db2.gz HMWVVCRZCYNRLG-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cn1cnc2ccnc(-c3ccc4cncn4c3)c21 ZINC001245895620 987109514 /nfs/dbraw/zinc/10/95/14/987109514.db2.gz DFBIFCNRZUQRTL-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)nc(C)n1 ZINC001245894373 987109585 /nfs/dbraw/zinc/10/95/85/987109585.db2.gz HKYBBYPQZZTJHU-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN CCc1nccnc1-c1ccc2cncn2c1 ZINC001245895613 987113239 /nfs/dbraw/zinc/11/32/39/987113239.db2.gz CZOFCLBXNRBSLK-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN Nc1cc(-c2ccc3cncn3c2)ncc1F ZINC001245895531 987113588 /nfs/dbraw/zinc/11/35/88/987113588.db2.gz ZXFUWUSGXRAFIV-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN CCC(=O)CCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC001594695988 987119040 /nfs/dbraw/zinc/11/90/40/987119040.db2.gz MRJODRPJRJDGLB-UHFFFAOYSA-N 0 1 241.331 2.075 20 0 BEADMN Cc1cnc(-c2ccc3cncn3c2)nc1C ZINC001245897625 987124845 /nfs/dbraw/zinc/12/48/45/987124845.db2.gz DAAGGYXECQEPNQ-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN S=c1ccc(-c2ccc3cncn3c2)n[nH]1 ZINC001245898134 987126802 /nfs/dbraw/zinc/12/68/02/987126802.db2.gz LRMWJAMGANSATE-UHFFFAOYSA-N 0 1 228.280 2.080 20 0 BEADMN O=C1NCc2cccc(-c3ccc4cncn4c3)c21 ZINC001245898417 987127723 /nfs/dbraw/zinc/12/77/23/987127723.db2.gz RXALCLJCUJXDFQ-UHFFFAOYSA-N 0 1 249.273 2.245 20 0 BEADMN c1ncn2cc(-c3ccnc4c3CCN4)ccc12 ZINC001245900158 987128854 /nfs/dbraw/zinc/12/88/54/987128854.db2.gz RMUYGPHNDVQPAW-UHFFFAOYSA-N 0 1 236.278 2.364 20 0 BEADMN CCc1ncc(CNC(=O)c2cc(C)c(C)o2)[nH]1 ZINC001472019329 987156117 /nfs/dbraw/zinc/15/61/17/987156117.db2.gz ZCHATSBRMJKRHQ-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CC[C@H](O)CN1N=C(c2cccc(C)c2)CC1=O ZINC001245919317 987157174 /nfs/dbraw/zinc/15/71/74/987157174.db2.gz FPRWFHRCNSWJHC-LBPRGKRZSA-N 0 1 246.310 2.335 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001472020752 987158879 /nfs/dbraw/zinc/15/88/79/987158879.db2.gz LXIGZBGTNRDIRC-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN CCc1cc(=O)n([C@@H](C)c2cccc(O)c2)[nH]1 ZINC001245918617 987159191 /nfs/dbraw/zinc/15/91/91/987159191.db2.gz ZYUYWKHVEACCES-VIFPVBQESA-N 0 1 232.283 2.466 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1cnc(CC)[nH]1 ZINC001472020750 987160334 /nfs/dbraw/zinc/16/03/34/987160334.db2.gz LXIGZBGTNRDIRC-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CC(C)c1cccc(-n2[nH]c(CO)cc2=O)c1 ZINC001245926218 987181293 /nfs/dbraw/zinc/18/12/93/987181293.db2.gz SYIFUSYALNQBIB-UHFFFAOYSA-N 0 1 232.283 2.194 20 0 BEADMN CCc1cccc(CC)c1-n1[nH]c(CO)cc1=O ZINC001245926382 987183911 /nfs/dbraw/zinc/18/39/11/987183911.db2.gz WCGPHPRYRDRITP-UHFFFAOYSA-N 0 1 246.310 2.195 20 0 BEADMN Cc1ccc(-n2[nH]c(CC(C)C)cc2=O)cn1 ZINC001245933648 987194669 /nfs/dbraw/zinc/19/46/69/987194669.db2.gz XCXHRBOUIDMOKU-UHFFFAOYSA-N 0 1 231.299 2.480 20 0 BEADMN CC(C)Cc1cc(=O)n(CC2CCOCC2)[nH]1 ZINC001245932832 987201119 /nfs/dbraw/zinc/20/11/19/987201119.db2.gz OTCWPZUUJSLZBV-UHFFFAOYSA-N 0 1 238.331 2.214 20 0 BEADMN COCCc1cc(=O)n([C@@H]2CCC[C@H]2C)[nH]1 ZINC001245939952 987210588 /nfs/dbraw/zinc/21/05/88/987210588.db2.gz PPWRAAOHYKCILE-MWLCHTKSSA-N 0 1 224.304 2.139 20 0 BEADMN CCCCCc1cc(=O)n(Cc2nccn2C)[nH]1 ZINC001245943485 987221476 /nfs/dbraw/zinc/22/14/76/987221476.db2.gz KCVPSBDBFHJZNR-UHFFFAOYSA-N 0 1 248.330 2.103 20 0 BEADMN CC[C@@H]1COCCN1[C@@H](C)Cc1ccccn1 ZINC001256422769 987224240 /nfs/dbraw/zinc/22/42/40/987224240.db2.gz WIBKFYHWUWJLJB-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1cc(C)cc(C2=NN(C[C@H](C)O)C(=O)C2)c1 ZINC001245950066 987225064 /nfs/dbraw/zinc/22/50/64/987225064.db2.gz VJVJXEPMARKGAE-NSHDSACASA-N 0 1 246.310 2.253 20 0 BEADMN CC(C)(C)n1[nH]c(CC(F)(F)F)cc1=O ZINC001245952705 987231970 /nfs/dbraw/zinc/23/19/70/987231970.db2.gz SNEDBSHXTYFHGI-UHFFFAOYSA-N 0 1 222.210 2.449 20 0 BEADMN CC(C)(CC[N@H+]1CCCC2(CC2)C1)C(=O)[O-] ZINC000695131794 987329781 /nfs/dbraw/zinc/32/97/81/987329781.db2.gz MGSCLDWVVDFPQA-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CO[C@@H](CNCc1cnccn1)C1CCCCC1 ZINC000695120034 987330189 /nfs/dbraw/zinc/33/01/89/987330189.db2.gz PKHUAJKXHCZNBH-AWEZNQCLSA-N 0 1 249.358 2.162 20 0 BEADMN Cc1cccc(CN2CC[C@@H](F)[C@H](O)C2)c1F ZINC001137672527 987342748 /nfs/dbraw/zinc/34/27/48/987342748.db2.gz KUZUQACQDFBNHQ-VXGBXAGGSA-N 0 1 241.281 2.039 20 0 BEADMN CCOC(=O)CN(CC1CC(C)C1)C(C)C ZINC001473134538 987344566 /nfs/dbraw/zinc/34/45/66/987344566.db2.gz AOIQTIGNOZWQED-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1nnc(CN[C@@]2(C)CC=CCC2)s1 ZINC000698345391 987371963 /nfs/dbraw/zinc/37/19/63/987371963.db2.gz FNLQDQLVWIGYLN-NSHDSACASA-N 0 1 223.345 2.435 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C=CC(C)(C)C)n1 ZINC001116078973 987441037 /nfs/dbraw/zinc/44/10/37/987441037.db2.gz BPRJVXMGUDRLRV-SREVYHEPSA-N 0 1 236.319 2.469 20 0 BEADMN CC(C)c1nc(NC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC001116078973 987441048 /nfs/dbraw/zinc/44/10/48/987441048.db2.gz BPRJVXMGUDRLRV-SREVYHEPSA-N 0 1 236.319 2.469 20 0 BEADMN CC[C@H](C)N1CCN(CC(C)(F)F)CC1 ZINC001473830224 987575299 /nfs/dbraw/zinc/57/52/99/987575299.db2.gz RDTCGUHLDBSZRQ-JTQLQIEISA-N 0 1 220.307 2.058 20 0 BEADMN Cc1nonc1CN1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001473840940 987582315 /nfs/dbraw/zinc/58/23/15/987582315.db2.gz RABBIOZCNNDQHH-KZVDOYCCSA-N 0 1 245.326 2.022 20 0 BEADMN CCC[C@@H]1CCCN1CC(=O)OCC(C)C ZINC001473859175 987590530 /nfs/dbraw/zinc/59/05/30/987590530.db2.gz YWTKAQFQZVCSLF-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN c1ncc(CN2CCCC[C@]23CCOC3)s1 ZINC001473895431 987598599 /nfs/dbraw/zinc/59/85/99/987598599.db2.gz JWJPLPCKVMPLST-GFCCVEGCSA-N 0 1 238.356 2.288 20 0 BEADMN CCc1nc(NC(=O)/C=C2/CC[C@H](C)C2)n[nH]1 ZINC001116494280 987603545 /nfs/dbraw/zinc/60/35/45/987603545.db2.gz DBVDWOSJKSVPOO-FZGDARCMSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CC[C@H](C)C2)n1 ZINC001116494280 987603547 /nfs/dbraw/zinc/60/35/47/987603547.db2.gz DBVDWOSJKSVPOO-FZGDARCMSA-N 0 1 234.303 2.052 20 0 BEADMN CC[C@@H](CC(C)C)N[C@@H]1CCNCC1(F)F ZINC001246211935 987605684 /nfs/dbraw/zinc/60/56/84/987605684.db2.gz OITXLRJMPNALQW-WDEREUQCSA-N 0 1 234.334 2.398 20 0 BEADMN CCc1ncc(CN2C[C@@H](C)OCC[C@H]2C)o1 ZINC001473895797 987607093 /nfs/dbraw/zinc/60/70/93/987607093.db2.gz WHWLJBYIMQDZTD-GHMZBOCLSA-N 0 1 238.331 2.236 20 0 BEADMN C[C@@H]1CN(CCc2ccc(F)cc2)[C@H](C)CO1 ZINC001116502199 987608567 /nfs/dbraw/zinc/60/85/67/987608567.db2.gz QNQDWCFZCXNGEY-VXGBXAGGSA-N 0 1 237.318 2.477 20 0 BEADMN Cc1cc(CN2CCc3cc(F)ccc3C2)n[nH]1 ZINC001116510178 987611398 /nfs/dbraw/zinc/61/13/98/987611398.db2.gz CSPDXSKKWNNXLM-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN COC/C(C)=C/CN1CCc2cc(O)ccc2C1 ZINC001473901878 987612595 /nfs/dbraw/zinc/61/25/95/987612595.db2.gz NGHQXOBENXAORB-LFYBBSHMSA-N 0 1 247.338 2.343 20 0 BEADMN CC(C)(C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116612171 987644843 /nfs/dbraw/zinc/64/48/43/987644843.db2.gz GVNBPGRZJCXOMK-JTQLQIEISA-N 0 1 235.331 2.176 20 0 BEADMN Cc1ncc(CNCc2cc(C)c[nH]c2=O)s1 ZINC001474288541 987676230 /nfs/dbraw/zinc/67/62/30/987676230.db2.gz BSAJGLSOCHRRCX-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN CCOC[C@@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001474373397 987702349 /nfs/dbraw/zinc/70/23/49/987702349.db2.gz IQAAKTSOVXBPDJ-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)N(Cc1nc(CO)cs1)CC1CC1 ZINC001474383237 987710008 /nfs/dbraw/zinc/71/00/08/987710008.db2.gz NUIYATHJDAPUEV-UHFFFAOYSA-N 0 1 240.372 2.256 20 0 BEADMN C/C=C(\C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116808718 987717299 /nfs/dbraw/zinc/71/72/99/987717299.db2.gz AKYXUKOFZHOBOF-DKSFEKEHSA-N 0 1 233.315 2.302 20 0 BEADMN CC[C@H](C)c1nnc([C@@H](C)NC[C@@H](C)OC)[nH]1 ZINC001474493899 987738582 /nfs/dbraw/zinc/73/85/82/987738582.db2.gz DJDNBTSKPJCXEO-IVZWLZJFSA-N 0 1 240.351 2.004 20 0 BEADMN C[C@@H]1CN(Cc2cc(-c3ccccn3)n[nH]2)[C@@H]1C ZINC001474551051 987756577 /nfs/dbraw/zinc/75/65/77/987756577.db2.gz UZDDLQIWDFJYCW-GHMZBOCLSA-N 0 1 242.326 2.312 20 0 BEADMN Cc1nc(SCOC2CCCC2)n[nH]1 ZINC001117482888 987841677 /nfs/dbraw/zinc/84/16/77/987841677.db2.gz FSHSFVLTAVBFQJ-UHFFFAOYSA-N 0 1 213.306 2.122 20 0 BEADMN Cc1n[nH]c(SCOC2CCCC2)n1 ZINC001117482888 987841681 /nfs/dbraw/zinc/84/16/81/987841681.db2.gz FSHSFVLTAVBFQJ-UHFFFAOYSA-N 0 1 213.306 2.122 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001594874364 987870385 /nfs/dbraw/zinc/87/03/85/987870385.db2.gz CBELPVRWKNZGTR-PWSUYJOCSA-N 0 1 236.315 2.013 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCCC[C@H]3C2)[nH]1 ZINC001117720547 987878315 /nfs/dbraw/zinc/87/83/15/987878315.db2.gz SVLFLQMMAZGNCO-RYUDHWBXSA-N 0 1 234.347 2.125 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)NCC(C)(F)F ZINC001117782245 987896945 /nfs/dbraw/zinc/89/69/45/987896945.db2.gz WFOFKFLJFGWEEN-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccoc1 ZINC001321495079 987926391 /nfs/dbraw/zinc/92/63/91/987926391.db2.gz MAAXHJJNHOJFMP-LBPRGKRZSA-N 0 1 237.299 2.197 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2C[C@H]2C2CCCC2)[nH]1 ZINC001118305891 988210527 /nfs/dbraw/zinc/21/05/27/988210527.db2.gz FRVHGFLRGYGKFH-UWVGGRQHSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2C[C@H]2C2CCCC2)n1 ZINC001118305891 988210541 /nfs/dbraw/zinc/21/05/41/988210541.db2.gz FRVHGFLRGYGKFH-UWVGGRQHSA-N 0 1 248.330 2.132 20 0 BEADMN Cc1nnc(SCCOc2ccccc2)[nH]1 ZINC000011658822 988340664 /nfs/dbraw/zinc/34/06/64/988340664.db2.gz ANQBLGVQOXVYEZ-UHFFFAOYSA-N 0 1 235.312 2.284 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001322642064 988349845 /nfs/dbraw/zinc/34/98/45/988349845.db2.gz PVGSUXOJTUKQKQ-AGIUHOORSA-N 0 1 248.374 2.388 20 0 BEADMN Cc1nonc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001322739512 988371953 /nfs/dbraw/zinc/37/19/53/988371953.db2.gz TZYCRWFXWLEGGH-RYUDHWBXSA-N 0 1 235.331 2.390 20 0 BEADMN c1nonc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001118492611 988380223 /nfs/dbraw/zinc/38/02/23/988380223.db2.gz NAVKFEGNIYOZAE-WDEREUQCSA-N 0 1 221.304 2.082 20 0 BEADMN CS[C@@H]1CC[C@H](N(C)Cc2cn(C)cn2)C1 ZINC001118496149 988389300 /nfs/dbraw/zinc/38/93/00/988389300.db2.gz PBLVJSBRHVWHAR-NWDGAFQWSA-N 0 1 239.388 2.136 20 0 BEADMN CCCCCN1CC[C@H]1CNC(=O)C(C)(C)F ZINC001323175870 988462350 /nfs/dbraw/zinc/46/23/50/988462350.db2.gz BLMSMGOFSYGURT-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN CCCCC(=O)N[C@H](C)CN(C)C[C@H](F)CC ZINC001498227046 988469558 /nfs/dbraw/zinc/46/95/58/988469558.db2.gz KNYHDAQCRBJWOV-VXGBXAGGSA-N 0 1 246.370 2.361 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@H]1C(C)(C)C ZINC001323282800 988488711 /nfs/dbraw/zinc/48/87/11/988488711.db2.gz KSELHAMJERPIGJ-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cc([C@H]2CCCN2Cc2cc(C)[nH]n2)on1 ZINC001323304043 988492346 /nfs/dbraw/zinc/49/23/46/988492346.db2.gz SPIOWICAHKJHHQ-GFCCVEGCSA-N 0 1 246.314 2.352 20 0 BEADMN CC(C)c1ocnc1CN1CCc2cn[nH]c2C1 ZINC001323366569 988508281 /nfs/dbraw/zinc/50/82/81/988508281.db2.gz BCTZCVSTACRVGD-UHFFFAOYSA-N 0 1 246.314 2.079 20 0 BEADMN CCC(=O)NC[C@@H]1CCN1CC1=CCCCC1 ZINC001498913375 988516558 /nfs/dbraw/zinc/51/65/58/988516558.db2.gz QLKXINYOJQGQIL-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CCC[N@H+]1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499028499 988524492 /nfs/dbraw/zinc/52/44/92/988524492.db2.gz HCDNDPZQMLCKLF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499028499 988524502 /nfs/dbraw/zinc/52/45/02/988524502.db2.gz HCDNDPZQMLCKLF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C(C)(C)CCC ZINC001499050606 988532220 /nfs/dbraw/zinc/53/22/20/988532220.db2.gz PIOFHXAVDZXADD-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CC[C@H](N2CC[C@H](N)C(F)(F)C2)C[C@H]1C ZINC001246839885 988551522 /nfs/dbraw/zinc/55/15/22/988551522.db2.gz ZWSAGFYHCGDJNC-WYUUTHIRSA-N 0 1 246.345 2.479 20 0 BEADMN C/C=C(/C)C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001499650305 988558815 /nfs/dbraw/zinc/55/88/15/988558815.db2.gz SPFXZMDRKSZUNT-ZWIPKHHJSA-N 0 1 238.375 2.141 20 0 BEADMN Cn1cncc1CN1CC(C)(C)C1(C)C ZINC001323598484 988564356 /nfs/dbraw/zinc/56/43/56/988564356.db2.gz FWVCSISNRJGEKQ-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001323922627 988651303 /nfs/dbraw/zinc/65/13/03/988651303.db2.gz CDHCFSXXNDARGM-WUXMJOGZSA-N 0 1 238.375 2.285 20 0 BEADMN CS[C@@H]1CC[C@@H](N(C)Cc2n[nH]cc2C)C1 ZINC001323936019 988653243 /nfs/dbraw/zinc/65/32/43/988653243.db2.gz OAIIRXVMPCKLBT-GHMZBOCLSA-N 0 1 239.388 2.434 20 0 BEADMN CC[N@@H+](CC(=O)[O-])CC1(OC)CCCCCC1 ZINC001596224865 988660117 /nfs/dbraw/zinc/66/01/17/988660117.db2.gz GFBGFGDIBLOTBT-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1c(C)cccc1F ZINC001324006751 988664807 /nfs/dbraw/zinc/66/48/07/988664807.db2.gz ILAFMTHZQLRENM-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN Cc1cc([C@H](C)NC(=O)[C@H](C)N(C)C)c(C)o1 ZINC001119096004 988832691 /nfs/dbraw/zinc/83/26/91/988832691.db2.gz JTTFAHKDQFROAV-UWVGGRQHSA-N 0 1 238.331 2.024 20 0 BEADMN Cc1cc2nc(CCCO)[nH]c2cc1Cl ZINC001247015324 988839734 /nfs/dbraw/zinc/83/97/34/988839734.db2.gz VNCDBDUGVSRYGS-UHFFFAOYSA-N 0 1 224.691 2.450 20 0 BEADMN Cc1cc2nc(CCCCO)[nH]c2cc1F ZINC001247012480 988840360 /nfs/dbraw/zinc/84/03/60/988840360.db2.gz OFXACHYSWZVRRC-UHFFFAOYSA-N 0 1 222.263 2.325 20 0 BEADMN Cc1cc2[nH]c(CN)nc2cc1C(F)(F)F ZINC001247015946 988845362 /nfs/dbraw/zinc/84/53/62/988845362.db2.gz WOCDLRFWASQXRX-UHFFFAOYSA-N 0 1 229.205 2.349 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)OC)no1)C(C)(C)C ZINC001119244687 988847736 /nfs/dbraw/zinc/84/77/36/988847736.db2.gz IGAGQPNSKITQPO-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN Cc1ccc2c(c1)nc(CN)n2CC1CC1 ZINC001247045237 988848242 /nfs/dbraw/zinc/84/82/42/988848242.db2.gz AZWFVPFWGIXZSL-UHFFFAOYSA-N 0 1 215.300 2.213 20 0 BEADMN Cc1cccc(-c2noc(C3CN(C)C3)n2)c1F ZINC001247372534 988860235 /nfs/dbraw/zinc/86/02/35/988860235.db2.gz JZJAJDDCADTPHF-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN Cc1cc(CN2CC[C@](C)(C(F)(F)F)C2)n[nH]1 ZINC001119248243 988861190 /nfs/dbraw/zinc/86/11/90/988861190.db2.gz HCYHSCCJYIQFCX-JTQLQIEISA-N 0 1 247.264 2.492 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@@H](F)C2)o1 ZINC001119246814 988861544 /nfs/dbraw/zinc/86/15/44/988861544.db2.gz HKTLVLFONGBNES-NXEZZACHSA-N 0 1 212.268 2.353 20 0 BEADMN Cc1cccc(-c2noc(C3CN(C)C3)n2)c1C ZINC001247369163 988862546 /nfs/dbraw/zinc/86/25/46/988862546.db2.gz LWZJDSJALPNAEO-UHFFFAOYSA-N 0 1 243.310 2.382 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(N(C)C)s1 ZINC001324568526 988874254 /nfs/dbraw/zinc/87/42/54/988874254.db2.gz DPSOUEYFTWUEKH-DTWKUNHWSA-N 0 1 225.361 2.049 20 0 BEADMN CNCc1nc(-c2cccc(F)c2Cl)no1 ZINC001247431663 988885556 /nfs/dbraw/zinc/88/55/56/988885556.db2.gz LPARFXCKFRIRTI-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CNCc1nc(-c2cc(C)c(F)cc2F)no1 ZINC001247431722 988886214 /nfs/dbraw/zinc/88/62/14/988886214.db2.gz NWNFMGLXGGKGBD-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CNCc1nc(-c2cc(F)cc(C)c2F)no1 ZINC001247431971 988886535 /nfs/dbraw/zinc/88/65/35/988886535.db2.gz PAXYFJIBFLTEMF-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN Fc1ccnc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC001247501011 988902803 /nfs/dbraw/zinc/90/28/03/988902803.db2.gz MKFYNXCWVKHANE-VIFPVBQESA-N 0 1 248.261 2.085 20 0 BEADMN Cc1ncccc1-c1noc([C@@H]2CCCCN2)n1 ZINC001247500467 988905271 /nfs/dbraw/zinc/90/52/71/988905271.db2.gz HLOQAEBTPRKNFE-NSHDSACASA-N 0 1 244.298 2.255 20 0 BEADMN CCOCCN(C)Cc1cccn1C1CC1 ZINC001324662157 988916708 /nfs/dbraw/zinc/91/67/08/988916708.db2.gz YUNGDRSGALQBKJ-UHFFFAOYSA-N 0 1 222.332 2.291 20 0 BEADMN C[C@H](NCc1cccn1C1CC1)c1ccnn1C ZINC001119303816 988917268 /nfs/dbraw/zinc/91/72/68/988917268.db2.gz JMICVLYDDKGVJF-NSHDSACASA-N 0 1 244.342 2.407 20 0 BEADMN COCC1(CSc2nnc(C)[nH]2)CCC1 ZINC001324675913 988922224 /nfs/dbraw/zinc/92/22/24/988922224.db2.gz CAEHLCROCHOKDY-UHFFFAOYSA-N 0 1 227.333 2.022 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)C1=CCCC1 ZINC001514813848 988941816 /nfs/dbraw/zinc/94/18/16/988941816.db2.gz HVVGSRIDFOEAOB-UHFFFAOYSA-N 0 1 242.282 2.315 20 0 BEADMN C[C@H]1CCCC[C@@H]1C(=O)NCc1cc(N)ccn1 ZINC001119322018 988942250 /nfs/dbraw/zinc/94/22/50/988942250.db2.gz LMLCEUKZCOOJNX-GWCFXTLKSA-N 0 1 247.342 2.106 20 0 BEADMN F[C@H]1CNC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC001247783397 989021833 /nfs/dbraw/zinc/02/18/33/989021833.db2.gz IZXKYXNFCPVNFX-WDEREUQCSA-N 0 1 247.273 2.152 20 0 BEADMN CS[C@@H](C)CCOC(=O)c1[nH]cnc1C ZINC001515298504 989022042 /nfs/dbraw/zinc/02/20/42/989022042.db2.gz RGUMFKCOWLCJRB-ZETCQYMHSA-N 0 1 228.317 2.017 20 0 BEADMN C[C@H]1CC[C@H](c2nc(-c3ccccn3)no2)NC1 ZINC001247821118 989028066 /nfs/dbraw/zinc/02/80/66/989028066.db2.gz WCFAOELRVGCRMA-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1cncc(F)c1 ZINC001515362781 989034884 /nfs/dbraw/zinc/03/48/84/989034884.db2.gz BSPBECMJXMBFCI-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1ccc(F)c(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248227148 989084991 /nfs/dbraw/zinc/08/49/91/989084991.db2.gz BMESKJFVYGRNRX-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN Fc1cccc(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248230412 989086635 /nfs/dbraw/zinc/08/66/35/989086635.db2.gz YIWJMQPOFLSNBL-JTQLQIEISA-N 0 1 231.230 2.076 20 0 BEADMN NCc1nccnc1N1CCCC2(CCCC2)C1 ZINC001515677245 989097720 /nfs/dbraw/zinc/09/77/20/989097720.db2.gz BOPRHFVOYZPRAG-UHFFFAOYSA-N 0 1 246.358 2.096 20 0 BEADMN CC(C)C(C)(C)CNc1nccnc1CN ZINC001515677239 989099595 /nfs/dbraw/zinc/09/95/95/989099595.db2.gz BNLCBDQBNIXEHR-UHFFFAOYSA-N 0 1 222.336 2.029 20 0 BEADMN Cc1ccccc1[C@@H](NCc1cn[nH]n1)C1CC1 ZINC001325192215 989114346 /nfs/dbraw/zinc/11/43/46/989114346.db2.gz ZZQASJRVTGNBQD-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN C[C@H](CC(C)(C)C)Nc1nccnc1CN ZINC001515806294 989121200 /nfs/dbraw/zinc/12/12/00/989121200.db2.gz VRXAWFBWHLXLCR-SECBINFHSA-N 0 1 222.336 2.172 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001119517041 989121655 /nfs/dbraw/zinc/12/16/55/989121655.db2.gz MMLGZUBIJLKTAK-SECBINFHSA-N 0 1 246.314 2.219 20 0 BEADMN CCC[C@H](C)N(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001119517042 989122569 /nfs/dbraw/zinc/12/25/69/989122569.db2.gz MMLGZUBIJLKTAK-VIFPVBQESA-N 0 1 246.314 2.219 20 0 BEADMN Cc1noc2ccc(CN3CCC(O)CC3)cc12 ZINC001248687230 989125134 /nfs/dbraw/zinc/12/51/34/989125134.db2.gz NLMKUMUYIHTXTO-UHFFFAOYSA-N 0 1 246.310 2.093 20 0 BEADMN CC(C)(C)C(F)(F)CNc1nccnc1CN ZINC001515907905 989128524 /nfs/dbraw/zinc/12/85/24/989128524.db2.gz IUDJUBSTHAEXAG-UHFFFAOYSA-N 0 1 244.289 2.029 20 0 BEADMN Cc1cc(F)ccc1-c1noc([C@]2(C)CCN2)n1 ZINC001248721551 989136130 /nfs/dbraw/zinc/13/61/30/989136130.db2.gz JHDIOYROQMOELN-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cc(-c2noc([C@@]3(C)CCN3)n2)ccc1F ZINC001248722173 989137806 /nfs/dbraw/zinc/13/78/06/989137806.db2.gz SYFFZYJAKAEDOY-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1ccc(-c2noc([C@@]3(C)CCN3)n2)cc1 ZINC001248722345 989137927 /nfs/dbraw/zinc/13/79/27/989137927.db2.gz VSMAHJVJKKMYKM-CYBMUJFWSA-N 0 1 229.283 2.254 20 0 BEADMN Cc1ncc(Br)cc1CN(C)C ZINC001248777947 989146088 /nfs/dbraw/zinc/14/60/88/989146088.db2.gz GNHNRCNKERWHRV-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN C=C/C=C/CCOC(=O)c1[nH]cnc1C ZINC001516934416 989184481 /nfs/dbraw/zinc/18/44/81/989184481.db2.gz NDZFPNQYFDVRBD-SNAWJCMRSA-N 0 1 206.245 2.007 20 0 BEADMN F[C@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@@H]2C[C@@H]21 ZINC001248822037 989184682 /nfs/dbraw/zinc/18/46/82/989184682.db2.gz XBMBJKMCBDFTEW-BPNCWPANSA-N 0 1 234.318 2.224 20 0 BEADMN F[C@H]1CN(Cc2ccc3n2CCC3)C[C@@H]2C[C@@H]21 ZINC001248822037 989184689 /nfs/dbraw/zinc/18/46/89/989184689.db2.gz XBMBJKMCBDFTEW-BPNCWPANSA-N 0 1 234.318 2.224 20 0 BEADMN Cc1ccc2nc(CN3CCO[C@@H](C)C3)[nH]c2c1 ZINC001248840288 989188340 /nfs/dbraw/zinc/18/83/40/989188340.db2.gz PMXOQYVRMAZHLZ-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2nc(CN3CC[C@@H]3C)[nH]c2c1 ZINC001248839426 989192518 /nfs/dbraw/zinc/19/25/18/989192518.db2.gz JENODYMHFFRKBH-JTQLQIEISA-N 0 1 215.300 2.466 20 0 BEADMN CO[C@@H]1CCN(Cc2nc3ccc(C)cc3[nH]2)C1 ZINC001248839975 989193751 /nfs/dbraw/zinc/19/37/51/989193751.db2.gz DVJIFYBCPJUHTB-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2nc(CN3CCCO3)[nH]c2c1 ZINC001248839680 989194446 /nfs/dbraw/zinc/19/44/46/989194446.db2.gz TWGNWCRJKSPYIE-UHFFFAOYSA-N 0 1 217.272 2.009 20 0 BEADMN Cc1nonc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001248856902 989196306 /nfs/dbraw/zinc/19/63/06/989196306.db2.gz BIUSJIZXUIYFQJ-GHMZBOCLSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001248856902 989196309 /nfs/dbraw/zinc/19/63/09/989196309.db2.gz BIUSJIZXUIYFQJ-GHMZBOCLSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1noc(C2CC2)c1NC(=O)c1cnco1 ZINC001325598058 989215981 /nfs/dbraw/zinc/21/59/81/989215981.db2.gz QJCDZYQXMIHQNI-UHFFFAOYSA-N 0 1 233.227 2.101 20 0 BEADMN CC(F)(F)CCCSCc1nnc[nH]1 ZINC001119606277 989227934 /nfs/dbraw/zinc/22/79/34/989227934.db2.gz CQOHFEXPLJGBMP-UHFFFAOYSA-N 0 1 221.276 2.473 20 0 BEADMN CC[C@@H](C)N(C)Cc1nc(C)cc(C)n1 ZINC001248939791 989229039 /nfs/dbraw/zinc/22/90/39/989229039.db2.gz LHBXPGZXNNGIRD-LLVKDONJSA-N 0 1 207.321 2.324 20 0 BEADMN CCN(Cc1nc(C)cc(C)n1)C1CCOCC1 ZINC001248965583 989234036 /nfs/dbraw/zinc/23/40/36/989234036.db2.gz JJWUKAOUCHRLBV-UHFFFAOYSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1cc(C)nc(CN2C[C@H]3CC[C@@H]2C3)n1 ZINC001248971548 989235324 /nfs/dbraw/zinc/23/53/24/989235324.db2.gz AMMRFMOAPFYNAA-NWDGAFQWSA-N 0 1 217.316 2.078 20 0 BEADMN CC(C)c1ocnc1CN[C@H](CCO)C1CC1 ZINC001325723545 989240960 /nfs/dbraw/zinc/24/09/60/989240960.db2.gz XTPOUUMSTHRPNA-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1ccccc1OCCN1CC[C@@]12CCOC2 ZINC001325761647 989252618 /nfs/dbraw/zinc/25/26/18/989252618.db2.gz PCJIUHLTVWHJGW-HNNXBMFYSA-N 0 1 247.338 2.239 20 0 BEADMN CCNCc1nc(-c2ccc(C)cc2C)no1 ZINC001249134129 989256222 /nfs/dbraw/zinc/25/62/22/989256222.db2.gz ZGQBXDNYYJKNHW-UHFFFAOYSA-N 0 1 231.299 2.463 20 0 BEADMN CCNCc1nc(-c2cccc(CC)c2)no1 ZINC001249136570 989256480 /nfs/dbraw/zinc/25/64/80/989256480.db2.gz SJCSJMUCFWZIEW-UHFFFAOYSA-N 0 1 231.299 2.409 20 0 BEADMN CCNCc1nc(-c2ncccc2C2CC2)no1 ZINC001249136592 989259032 /nfs/dbraw/zinc/25/90/32/989259032.db2.gz UEWSZPJATZCSOL-UHFFFAOYSA-N 0 1 244.298 2.119 20 0 BEADMN Cc1ccc(-c2noc([C@](C)(N)C(C)C)n2)nc1 ZINC001249280420 989266806 /nfs/dbraw/zinc/26/68/06/989266806.db2.gz DGGKRPRQLUEBKC-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1ccc(-c2noc([C@@](C)(N)C(C)C)n2)nc1 ZINC001249279684 989266896 /nfs/dbraw/zinc/26/68/96/989266896.db2.gz DGGKRPRQLUEBKC-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1cccc(-c2noc([C@](C)(N)C(C)C)n2)n1 ZINC001249281232 989267470 /nfs/dbraw/zinc/26/74/70/989267470.db2.gz UOJUFPYGGFWHKD-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN CN(Cc1cccc2c1CCC2)C1(C)COC1 ZINC001249458662 989281351 /nfs/dbraw/zinc/28/13/51/989281351.db2.gz IVHAWDBSYXPWRR-UHFFFAOYSA-N 0 1 231.339 2.396 20 0 BEADMN CN1CC2(C1)CN(Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001249480906 989292733 /nfs/dbraw/zinc/29/27/33/989292733.db2.gz WURDOYNIQZVTCK-UHFFFAOYSA-N 0 1 247.386 2.060 20 0 BEADMN CN1CCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249521844 989294797 /nfs/dbraw/zinc/29/47/97/989294797.db2.gz DLTVVXIFCPGWGO-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN Cc1cc(C(F)(F)F)c(CN(C)C)cn1 ZINC001249511701 989295942 /nfs/dbraw/zinc/29/59/42/989295942.db2.gz MIDRCPPBALANLA-UHFFFAOYSA-N 0 1 218.222 2.470 20 0 BEADMN CC(C)(C)n1cc(CN2CCC[C@H]3C[C@H]32)nn1 ZINC001249483822 989296216 /nfs/dbraw/zinc/29/62/16/989296216.db2.gz OCWHHQKAQGNRSZ-CMPLNLGQSA-N 0 1 234.347 2.017 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@](C)(O)C2)ns1 ZINC001249571833 989313994 /nfs/dbraw/zinc/31/39/94/989313994.db2.gz WSTQABUKUMOSCR-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cc(CN2CCCC[C@](C)(O)C2)ns1 ZINC001249571833 989314002 /nfs/dbraw/zinc/31/40/02/989314002.db2.gz WSTQABUKUMOSCR-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cn1cc(Nc2ccncc2)c2ccncc21 ZINC001249690286 989341299 /nfs/dbraw/zinc/34/12/99/989341299.db2.gz ORRQFOOMOUEWTI-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN CCc1oc(C[NH+]2CC(C)(C)C2)cc1C(=O)[O-] ZINC001597795815 989347370 /nfs/dbraw/zinc/34/73/70/989347370.db2.gz CYDPRHCJKBQBLR-UHFFFAOYSA-N 0 1 237.299 2.382 20 0 BEADMN CC1CC(CN2CCOC[C@H]2c2cccn2C)C1 ZINC001119737393 989373435 /nfs/dbraw/zinc/37/34/35/989373435.db2.gz BBJMIUDYHUKNTR-PIMMBPRGSA-N 0 1 248.370 2.445 20 0 BEADMN c1nc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC001326138729 989393000 /nfs/dbraw/zinc/39/30/00/989393000.db2.gz AJJQACUUIQXTFU-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN c1nc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC001326138729 989393023 /nfs/dbraw/zinc/39/30/23/989393023.db2.gz AJJQACUUIQXTFU-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN C=C/C=C/CCOC(=O)CCCCc1cn[nH]n1 ZINC001519423985 989409238 /nfs/dbraw/zinc/40/92/38/989409238.db2.gz JQMOMVBOXOOLKD-ONEGZZNKSA-N 0 1 249.314 2.193 20 0 BEADMN COC/C(C)=C\CN[C@H](COC)c1ccco1 ZINC001119809882 989413282 /nfs/dbraw/zinc/41/32/82/989413282.db2.gz HHGUQWBRGFGGLK-HUMZTAOYSA-N 0 1 239.315 2.149 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC001603503428 989425774 /nfs/dbraw/zinc/42/57/74/989425774.db2.gz MBBBHSBQWKYMMH-STQMWFEESA-N 0 1 248.326 2.124 20 0 BEADMN C[C@H](c1ncccn1)N1CCSC[C@@H](C)C1 ZINC001119849940 989438861 /nfs/dbraw/zinc/43/88/61/989438861.db2.gz MWKNAGDGMMLHOW-WDEREUQCSA-N 0 1 237.372 2.223 20 0 BEADMN C[C@@H]1c2ccccc2C[N@@H+]1CC1(C(=O)[O-])CC1 ZINC001599883572 989519078 /nfs/dbraw/zinc/51/90/78/989519078.db2.gz UYBCCXCFZWWQPE-SNVBAGLBSA-N 0 1 231.295 2.428 20 0 BEADMN CCC1CN(Cc2ccc(O)c(F)c2)C1 ZINC001119971705 989528819 /nfs/dbraw/zinc/52/88/19/989528819.db2.gz OAJHFAZVSQTYJQ-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCC12CCCC2 ZINC001326626995 989631461 /nfs/dbraw/zinc/63/14/61/989631461.db2.gz MOMIOORGOGBKQH-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(CF)CCC2)n1 ZINC001326653218 989638670 /nfs/dbraw/zinc/63/86/70/989638670.db2.gz ISRVWJXILCSXQC-UHFFFAOYSA-N 0 1 240.282 2.006 20 0 BEADMN CC(C)c1nc(NC(=O)C2(CF)CCC2)n[nH]1 ZINC001326653218 989638674 /nfs/dbraw/zinc/63/86/74/989638674.db2.gz ISRVWJXILCSXQC-UHFFFAOYSA-N 0 1 240.282 2.006 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)[nH]n1 ZINC001326790473 989714725 /nfs/dbraw/zinc/71/47/25/989714725.db2.gz GMFXKADGBXUOFH-LLVKDONJSA-N 0 1 241.285 2.339 20 0 BEADMN Cc1cc(CN2CCC[C@@]3(CC3(F)F)C2)[nH]n1 ZINC001326790473 989714744 /nfs/dbraw/zinc/71/47/44/989714744.db2.gz GMFXKADGBXUOFH-LLVKDONJSA-N 0 1 241.285 2.339 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@]2(C)CC=CCC2)c1C ZINC001521894767 989814591 /nfs/dbraw/zinc/81/45/91/989814591.db2.gz XRBNVYXZOBXRDR-CQSZACIVSA-N 0 1 247.342 2.389 20 0 BEADMN CCC(C)(CC)C(=O)NCc1n[nH]c(C)c1C ZINC001521893460 989814868 /nfs/dbraw/zinc/81/48/68/989814868.db2.gz MAEBKBNCQMMMPT-UHFFFAOYSA-N 0 1 237.347 2.469 20 0 BEADMN CC[C@H](C)C(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC001523464727 989917430 /nfs/dbraw/zinc/91/74/30/989917430.db2.gz XHIQUYJRRZZVHV-QMMMGPOBSA-N 0 1 246.314 2.006 20 0 BEADMN CC(C)[C@@H]1CN(c2nccnc2CN)[C@H]1C(C)C ZINC001120856138 989924898 /nfs/dbraw/zinc/92/48/98/989924898.db2.gz NSTTZSKULOZIPP-AAEUAGOBSA-N 0 1 248.374 2.052 20 0 BEADMN C[C@@H]1CC[C@H](Nc2nccnc2CN)C[C@H]1C ZINC001120921148 989965881 /nfs/dbraw/zinc/96/58/81/989965881.db2.gz LGHBLHMOKZBAEG-MXWKQRLJSA-N 0 1 234.347 2.172 20 0 BEADMN C[C@@H]1CC[C@H](Nc2nccnc2CN)C[C@@H]1C ZINC001120921150 989967635 /nfs/dbraw/zinc/96/76/35/989967635.db2.gz LGHBLHMOKZBAEG-VWYCJHECSA-N 0 1 234.347 2.172 20 0 BEADMN CCC(C)(C)[C@H](C)Nc1nccnc1CN ZINC001120945168 989979818 /nfs/dbraw/zinc/97/98/18/989979818.db2.gz KUAQXVBOLFLESO-VIFPVBQESA-N 0 1 222.336 2.172 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CCCSC1 ZINC001525568218 990056792 /nfs/dbraw/zinc/05/67/92/990056792.db2.gz YBYFTYANXFYUHU-SECBINFHSA-N 0 1 240.328 2.018 20 0 BEADMN CCC[C@H](C)CCOC(=O)CCc1nc[nH]n1 ZINC001123102950 990509671 /nfs/dbraw/zinc/50/96/71/990509671.db2.gz GQBSRKOEQLXKLN-JTQLQIEISA-N 0 1 239.319 2.107 20 0 BEADMN C[C@H]1CC[C@H](OC(=O)C23CCCN2CCC3)C1 ZINC001537623486 990510082 /nfs/dbraw/zinc/51/00/82/990510082.db2.gz DBBUQSKSMXGCDN-RYUDHWBXSA-N 0 1 237.343 2.347 20 0 BEADMN CCCCC1(C(=O)O[C@H](C)c2nnc[nH]2)CC1 ZINC001123117529 990515307 /nfs/dbraw/zinc/51/53/07/990515307.db2.gz RVLYQMVVBIVEOS-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC001540321011 990605516 /nfs/dbraw/zinc/60/55/16/990605516.db2.gz WUQYBOPWTXYRHU-GHMZBOCLSA-N 0 1 249.358 2.155 20 0 BEADMN O=C(NCC1CC1)c1ccc(Cl)c(O)c1 ZINC001540577220 990627847 /nfs/dbraw/zinc/62/78/47/990627847.db2.gz OFMUYOJCHQSZIZ-UHFFFAOYSA-N 0 1 225.675 2.185 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001608575118 990654903 /nfs/dbraw/zinc/65/49/03/990654903.db2.gz DCHRETNFIGXTGX-TZMCWYRMSA-N 0 1 249.285 2.173 20 0 BEADMN CCC(CC)CC(=O)NCc1n[nH]c(C)c1C ZINC001123900920 990696463 /nfs/dbraw/zinc/69/64/63/990696463.db2.gz GATSFBHSOAQCFE-UHFFFAOYSA-N 0 1 237.347 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CC[C@H](C)C2)c1C ZINC001123989028 990725037 /nfs/dbraw/zinc/72/50/37/990725037.db2.gz NDQWLGPRXWOZJB-JOYOIKCWSA-N 0 1 249.358 2.469 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCc1n[nH]c(C)c1C ZINC001123988851 990725091 /nfs/dbraw/zinc/72/50/91/990725091.db2.gz FJKHBYNJRIQSQX-CMDGGOBGSA-N 0 1 235.331 2.389 20 0 BEADMN CCN(Cc1cccc2ncccc12)C1COC1 ZINC001137629535 990832548 /nfs/dbraw/zinc/83/25/48/990832548.db2.gz SQXMCAWQJMPQGY-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CC/C=C/CNC(=O)c1cccc2nc[nH]c21 ZINC001556772328 990851579 /nfs/dbraw/zinc/85/15/79/990851579.db2.gz DUWBMONRXPULCW-ONEGZZNKSA-N 0 1 229.283 2.259 20 0 BEADMN Cc1cc(CCC(=O)N2[C@H](C)CCC2(C)C)n[nH]1 ZINC001556949386 990865571 /nfs/dbraw/zinc/86/55/71/990865571.db2.gz HVSCSRJTHCXNRX-LLVKDONJSA-N 0 1 249.358 2.440 20 0 BEADMN CCOc1cccc(CN2CC3(CC(O)C3)C2)c1 ZINC001138094370 990880984 /nfs/dbraw/zinc/88/09/84/990880984.db2.gz GXUUETFTYMKSBW-UHFFFAOYSA-N 0 1 247.338 2.042 20 0 BEADMN Oc1cc(O)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001138331020 990920617 /nfs/dbraw/zinc/92/06/17/990920617.db2.gz JKJBNJCRUTUSFA-KWBADKCTSA-N 0 1 237.274 2.030 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001138390964 990928901 /nfs/dbraw/zinc/92/89/01/990928901.db2.gz LZLNBYGAAYYHIO-NWDGAFQWSA-N 0 1 232.327 2.409 20 0 BEADMN CCc1ncc(CNC(=O)c2cc(C)oc2C)[nH]1 ZINC001558497592 990953337 /nfs/dbraw/zinc/95/33/37/990953337.db2.gz VNAFEIIIAMCETL-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CCn1cncc1CNc1ccc2nc[nH]c2c1 ZINC001308399147 990982844 /nfs/dbraw/zinc/98/28/44/990982844.db2.gz PREFOLLQFPKWTP-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H]2C)c1C ZINC001138640942 990992244 /nfs/dbraw/zinc/99/22/44/990992244.db2.gz JBRKTXDNKXDGCE-VIFPVBQESA-N 0 1 207.321 2.114 20 0 BEADMN CCSc1ncc(CN2CC[C@@H](C)C2)cn1 ZINC001138650614 990995682 /nfs/dbraw/zinc/99/56/82/990995682.db2.gz ZBFWUISMYXXKBL-SNVBAGLBSA-N 0 1 237.372 2.430 20 0 BEADMN CN(C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC001138646286 990996548 /nfs/dbraw/zinc/99/65/48/990996548.db2.gz CUIUUEFWIHESOL-UHFFFAOYSA-N 0 1 219.263 2.073 20 0 BEADMN Cc1ncccc1CNCc1cccc(F)c1N ZINC001308484634 991003672 /nfs/dbraw/zinc/00/36/72/991003672.db2.gz TXFZAWWQFLLBKG-UHFFFAOYSA-N 0 1 245.301 2.401 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001258098789 991004967 /nfs/dbraw/zinc/00/49/67/991004967.db2.gz DHQBWZGMIQGBCA-STQMWFEESA-N 0 1 238.375 2.284 20 0 BEADMN CNc1ncccc1CN1CCC(C)(F)CC1 ZINC001138689126 991005453 /nfs/dbraw/zinc/00/54/53/991005453.db2.gz DMQCCSDFCOZPPR-UHFFFAOYSA-N 0 1 237.322 2.447 20 0 BEADMN Cc1nc(F)ccc1CNCc1ccnc(F)c1 ZINC001308480947 991006681 /nfs/dbraw/zinc/00/66/81/991006681.db2.gz HXGLTDYGLAOETC-UHFFFAOYSA-N 0 1 249.264 2.353 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(F)cc2O)[nH]1 ZINC001558955707 991007732 /nfs/dbraw/zinc/00/77/32/991007732.db2.gz GJSWSEAGDNYOAC-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN c1cc(CN2CCCC2)n([C@@H]2CCCCO2)n1 ZINC001138774095 991037987 /nfs/dbraw/zinc/03/79/87/991037987.db2.gz YHZXARDUNAPGHV-ZDUSSCGKSA-N 0 1 235.331 2.178 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258156786 991040708 /nfs/dbraw/zinc/04/07/08/991040708.db2.gz RWBQQUOXHZKOJM-ITGUQSILSA-N 0 1 211.373 2.296 20 0 BEADMN C[C@H]1C[C@H](Nc2nccnc2CN)C[C@@H](C)C1 ZINC001258157655 991044224 /nfs/dbraw/zinc/04/42/24/991044224.db2.gz GJGUTGDSVGDYHA-URLYPYJESA-N 0 1 234.347 2.172 20 0 BEADMN Fc1ncccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138785888 991045554 /nfs/dbraw/zinc/04/55/54/991045554.db2.gz BZUWVMCYZNFNFY-DCAQKATOSA-N 0 1 224.254 2.011 20 0 BEADMN Cc1nnc(CN)n1C1C[C@H](C)C[C@@H](C)C1 ZINC001258164114 991051765 /nfs/dbraw/zinc/05/17/65/991051765.db2.gz PVJMIBCRFPNYOC-RKDXNWHRSA-N 0 1 222.336 2.042 20 0 BEADMN CO[C@@H]1CCCN(Cc2cccnc2F)CC1 ZINC001138787896 991052347 /nfs/dbraw/zinc/05/23/47/991052347.db2.gz PPFPMEKFULQYTD-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(Cc1ncccc1F)C[C@@H]1CCOC1 ZINC001308611402 991059681 /nfs/dbraw/zinc/05/96/81/991059681.db2.gz HOXFGRFOQNLERU-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN COCC[N@@H+](Cc1cccc2ccnn21)C(C)C ZINC001138805552 991064256 /nfs/dbraw/zinc/06/42/56/991064256.db2.gz CELAIPXUKOIDIZ-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN COCCN(Cc1cccc2ccnn21)C(C)C ZINC001138805552 991064263 /nfs/dbraw/zinc/06/42/63/991064263.db2.gz CELAIPXUKOIDIZ-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN CCc1ncc(CNc2cc(C)nc(CC)n2)[nH]1 ZINC001559290417 991067279 /nfs/dbraw/zinc/06/72/79/991067279.db2.gz OCJNSHUPPMDBAR-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN COC(CN(C)Cc1ccc2occc2c1)OC ZINC001138824467 991074248 /nfs/dbraw/zinc/07/42/48/991074248.db2.gz BNZXQAGDGXHJCF-UHFFFAOYSA-N 0 1 249.310 2.484 20 0 BEADMN CCn1ccc(CN[C@H](C)Cc2ccco2)n1 ZINC001258176070 991074850 /nfs/dbraw/zinc/07/48/50/991074850.db2.gz HPOVFWKSUUKANX-LLVKDONJSA-N 0 1 233.315 2.217 20 0 BEADMN CCCN(Cc1ccn(CC)n1)C1CC1 ZINC001308639640 991075044 /nfs/dbraw/zinc/07/50/44/991075044.db2.gz SXSMRZGRVICNCT-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CCc1nnc(S[C@H]2CCC[C@@H](OC)C2)[nH]1 ZINC001559356211 991075716 /nfs/dbraw/zinc/07/57/16/991075716.db2.gz CKWVNNDTIWBGPR-BDAKNGLRSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCC[C@@H](OC)C2)n1 ZINC001559356211 991075725 /nfs/dbraw/zinc/07/57/25/991075725.db2.gz CKWVNNDTIWBGPR-BDAKNGLRSA-N 0 1 241.360 2.417 20 0 BEADMN O[C@H]1CN(Cc2ccc3occc3c2)CC[C@@H]1F ZINC001138822356 991076456 /nfs/dbraw/zinc/07/64/56/991076456.db2.gz CMFMZNFMKTZLQP-STQMWFEESA-N 0 1 249.285 2.338 20 0 BEADMN C[C@@H](Cc1ccco1)NC1(c2cccnn2)CC1 ZINC001258177929 991078444 /nfs/dbraw/zinc/07/84/44/991078444.db2.gz AILQWGHSCIUTMZ-NSHDSACASA-N 0 1 243.310 2.280 20 0 BEADMN CCn1ccc(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC001308647966 991081227 /nfs/dbraw/zinc/08/12/27/991081227.db2.gz YZQGEAYWWQABHG-VXGBXAGGSA-N 0 1 221.348 2.381 20 0 BEADMN C[C@H]1CCN1Cc1cnc2ccccc2n1 ZINC001138863447 991090569 /nfs/dbraw/zinc/09/05/69/991090569.db2.gz MHMQFIRSKNFCIV-JTQLQIEISA-N 0 1 213.284 2.224 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCOC(C)(C)C1 ZINC001258187294 991096230 /nfs/dbraw/zinc/09/62/30/991096230.db2.gz WIMCMYGVBNGSSI-NSHDSACASA-N 0 1 223.316 2.321 20 0 BEADMN Cc1c[nH]c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC001138935401 991105325 /nfs/dbraw/zinc/10/53/25/991105325.db2.gz NLXDOMAKOOXYBS-PHIMTYICSA-N 0 1 207.321 2.481 20 0 BEADMN Cc1c[nH]c(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC001138935401 991105331 /nfs/dbraw/zinc/10/53/31/991105331.db2.gz NLXDOMAKOOXYBS-PHIMTYICSA-N 0 1 207.321 2.481 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@H]2CC[C@@H]1CO2 ZINC001258197099 991110032 /nfs/dbraw/zinc/11/00/32/991110032.db2.gz JATZGYAXWOVHGP-NQBHXWOUSA-N 0 1 221.300 2.074 20 0 BEADMN C[C@H](Cc1ccco1)N1CCc2c(ncn2C)C1 ZINC001258196191 991113325 /nfs/dbraw/zinc/11/33/25/991113325.db2.gz VXYIMVMAEIYSLV-LLVKDONJSA-N 0 1 245.326 2.002 20 0 BEADMN CC(C)COc1ccc(CN2CC(CO)C2)cc1 ZINC001138971588 991114752 /nfs/dbraw/zinc/11/47/52/991114752.db2.gz USMWZXHVTWZMKJ-UHFFFAOYSA-N 0 1 249.354 2.146 20 0 BEADMN Cc1noc([C@@H](C)N[C@H]2C[C@@H]3CCC[C@@H]32)n1 ZINC001308738335 991118003 /nfs/dbraw/zinc/11/80/03/991118003.db2.gz JTPNKUZCIKYRMW-PXIYARARSA-N 0 1 221.304 2.217 20 0 BEADMN CO[C@@H]([C@H](C)NCc1ncccc1F)C1CC1 ZINC001308766830 991125935 /nfs/dbraw/zinc/12/59/35/991125935.db2.gz UKMXKIXZVZFKAQ-ZANVPECISA-N 0 1 238.306 2.124 20 0 BEADMN CCCn1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001139039783 991127391 /nfs/dbraw/zinc/12/73/91/991127391.db2.gz YGDDOVZGSLBFMY-RWMBFGLXSA-N 0 1 237.322 2.083 20 0 BEADMN CCCn1cc(CN2CCC[C@]3(CCO3)C2)cn1 ZINC001139040278 991129579 /nfs/dbraw/zinc/12/95/79/991129579.db2.gz XNGNSEHWFNEQOU-AWEZNQCLSA-N 0 1 249.358 2.048 20 0 BEADMN COCC(C)(C)N(C)Cc1cn(C2CC2)cn1 ZINC001308794294 991135019 /nfs/dbraw/zinc/13/50/19/991135019.db2.gz WEVZGBHAHGMYPH-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1cn(C)nc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC001308802873 991140209 /nfs/dbraw/zinc/14/02/09/991140209.db2.gz NIWWMBYDPDKINE-ZDUSSCGKSA-N 0 1 233.359 2.349 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC(c2cccnc2)C1 ZINC001139100809 991147207 /nfs/dbraw/zinc/14/72/07/991147207.db2.gz FEZPPDWKDHPXKK-UHFFFAOYSA-N 0 1 242.326 2.021 20 0 BEADMN Fc1cccc(/C=C/CNCc2ncc[nH]2)c1 ZINC001308890068 991202421 /nfs/dbraw/zinc/20/24/21/991202421.db2.gz TZKMRJGBIWZXGZ-DUXPYHPUSA-N 0 1 231.274 2.352 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1CCCC(C)(C)C1 ZINC001258283667 991213407 /nfs/dbraw/zinc/21/34/07/991213407.db2.gz OCVODYDPRUJQMV-SNVBAGLBSA-N 0 1 222.336 2.187 20 0 BEADMN CC[C@H](NCc1c[nH]nn1)c1ccc(C)c(F)c1 ZINC001559711469 991222842 /nfs/dbraw/zinc/22/28/42/991222842.db2.gz JZGUXNSUJXKRHI-ZDUSSCGKSA-N 0 1 248.305 2.493 20 0 BEADMN CCC1(CN2CC[C@](C)(F)[C@@H](F)C2)COC1 ZINC001202926769 991226747 /nfs/dbraw/zinc/22/67/47/991226747.db2.gz KQCBGRPHHSFBCE-QWRGUYRKSA-N 0 1 233.302 2.185 20 0 BEADMN Cc1ccc([C@@H](C)NCC2=NOCC2)s1 ZINC001559724783 991230218 /nfs/dbraw/zinc/23/02/18/991230218.db2.gz HGXOWBBEAJRJTK-SECBINFHSA-N 0 1 224.329 2.483 20 0 BEADMN CC[C@H]1CCN(Cc2nc(C3CC3)nn2C)[C@@H]1C ZINC001559768818 991250151 /nfs/dbraw/zinc/25/01/51/991250151.db2.gz IUDBLQVGPRQSAJ-MNOVXSKESA-N 0 1 248.374 2.313 20 0 BEADMN CC(C)C[C@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001559771417 991253633 /nfs/dbraw/zinc/25/36/33/991253633.db2.gz VJVOLSVMYBOSHP-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN O[C@@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC001139547545 991269099 /nfs/dbraw/zinc/26/90/99/991269099.db2.gz KJLVROQOQATGTR-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN COc1ccncc1CN1CCC[C@@H](CF)C1 ZINC001139609067 991294313 /nfs/dbraw/zinc/29/43/13/991294313.db2.gz IKWRTPUWXCWZSX-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN COc1ccncc1CN1CCC[C@H]2C[C@H]21 ZINC001139609798 991295846 /nfs/dbraw/zinc/29/58/46/991295846.db2.gz UJSZUEOMPVXUGR-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN COc1ccncc1CN(CC1CC1)C1CC1 ZINC001139609786 991296360 /nfs/dbraw/zinc/29/63/60/991296360.db2.gz TZZDWIOUEPRAOT-UHFFFAOYSA-N 0 1 232.327 2.465 20 0 BEADMN COC(=O)c1cccc2[nH]cc(CN3CCC3)c21 ZINC001139717526 991338935 /nfs/dbraw/zinc/33/89/35/991338935.db2.gz WWIYLFWLWMJCDO-UHFFFAOYSA-N 0 1 244.294 2.160 20 0 BEADMN CC1CCN(Cc2cnc3c(c2)OCCO3)CC1 ZINC001139730678 991345270 /nfs/dbraw/zinc/34/52/70/991345270.db2.gz IFGVJQSEMLJDSI-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN CCC1(CN(C)Cc2cncs2)COC1 ZINC001202964700 991350582 /nfs/dbraw/zinc/35/05/82/991350582.db2.gz OVIIMSPTSGAKJX-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN CCCCC[C@@H](CC)N1CCN(C)C(=O)C1 ZINC001258437104 991373812 /nfs/dbraw/zinc/37/38/12/991373812.db2.gz WAZCAPFUAWKNGC-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN COCc1ccc(CN(C)[C@@H]2CCOC2)s1 ZINC001139826844 991385443 /nfs/dbraw/zinc/38/54/43/991385443.db2.gz CVMZJTFBAURFGZ-SNVBAGLBSA-N 0 1 241.356 2.115 20 0 BEADMN Cc1nc([C@@H]2CCCN2CC2(C)COC2)[nH]c1C ZINC001560136875 991390890 /nfs/dbraw/zinc/39/08/90/991390890.db2.gz JEICTUZRMJQQDF-LBPRGKRZSA-N 0 1 249.358 2.200 20 0 BEADMN CCCCC[C@H](CC)N1CCN(C#N)CC1 ZINC001258447998 991395053 /nfs/dbraw/zinc/39/50/53/991395053.db2.gz KUTBENGTGKRHDR-ZDUSSCGKSA-N 0 1 223.364 2.444 20 0 BEADMN Cc1ccc(CN2CCC[C@]3(CCO3)C2)nc1 ZINC001139840542 991399273 /nfs/dbraw/zinc/39/92/73/991399273.db2.gz XQOWVJXJDZUKMH-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN FC[C@H]1[C@@H]2CN(Cc3ccncc3Cl)C[C@H]12 ZINC001139847656 991403858 /nfs/dbraw/zinc/40/38/58/991403858.db2.gz IPPHMNLPWIMVSK-RTCCRHLQSA-N 0 1 240.709 2.382 20 0 BEADMN c1ccc2c(c1)cncc2CN1CC2(COC2)C1 ZINC001139893769 991409977 /nfs/dbraw/zinc/40/99/77/991409977.db2.gz VYOSBOOXHDTBHM-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN CCCO[C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC001139931713 991421609 /nfs/dbraw/zinc/42/16/09/991421609.db2.gz VMOJLGGWPONBEZ-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)cn1 ZINC001139929349 991424320 /nfs/dbraw/zinc/42/43/20/991424320.db2.gz XLPREIXDVUINLG-GJZGRUSLSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1ncc2n1CCN([C@@H](C)CC1CC1)C2 ZINC001258465048 991426256 /nfs/dbraw/zinc/42/62/56/991426256.db2.gz MVANUNYFXLYUGU-JTQLQIEISA-N 0 1 219.332 2.196 20 0 BEADMN CCC(=O)NC[C@H]1CCCCN1C[C@H](F)CC ZINC001317165442 991458488 /nfs/dbraw/zinc/45/84/88/991458488.db2.gz IHTLPGFQCYTYFS-VXGBXAGGSA-N 0 1 244.354 2.115 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001258491834 991461914 /nfs/dbraw/zinc/46/19/14/991461914.db2.gz ODFWPGAOPVPTKO-NOOOWODRSA-N 0 1 243.322 2.008 20 0 BEADMN CN(Cc1cc2ccccc2cn1)[C@H]1CCOC1 ZINC001139999438 991473185 /nfs/dbraw/zinc/47/31/85/991473185.db2.gz SXDAZSVGHFJWKR-HNNXBMFYSA-N 0 1 242.322 2.456 20 0 BEADMN C[C@H]1CC(C)(C)C[C@@H]1Nc1n[nH]c(N(C)C)n1 ZINC001560466870 991479067 /nfs/dbraw/zinc/47/90/67/991479067.db2.gz FKRQJJKTZHXFFW-IUCAKERBSA-N 0 1 237.351 2.107 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@H]1Nc1n[nH]c(N(C)C)n1 ZINC001560466871 991481027 /nfs/dbraw/zinc/48/10/27/991481027.db2.gz FKRQJJKTZHXFFW-RKDXNWHRSA-N 0 1 237.351 2.107 20 0 BEADMN CCCC1CCC(N2CCn3nncc3C2)CC1 ZINC001258534349 991484727 /nfs/dbraw/zinc/48/47/27/991484727.db2.gz XEIVIPKWGLZRKX-UHFFFAOYSA-N 0 1 248.374 2.453 20 0 BEADMN CSc1nccc(CN2CC[C@@H](C)C2)n1 ZINC001140034380 991490609 /nfs/dbraw/zinc/49/06/09/991490609.db2.gz LHNBMPDGQJELFU-SECBINFHSA-N 0 1 223.345 2.040 20 0 BEADMN COCc1nn([C@H]2CCC(C)(C)C2)c2c1CNC2 ZINC001258603741 991511257 /nfs/dbraw/zinc/51/12/57/991511257.db2.gz OUCPNTJEYCZWAZ-JTQLQIEISA-N 0 1 249.358 2.384 20 0 BEADMN COc1ccc2n[nH]c(CN3CC(C)(F)C3)c2c1 ZINC001140064837 991514912 /nfs/dbraw/zinc/51/49/12/991514912.db2.gz PKDLABSZNSCLQR-UHFFFAOYSA-N 0 1 249.289 2.115 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CCC(C)(C)C1 ZINC001258608093 991525751 /nfs/dbraw/zinc/52/57/51/991525751.db2.gz XWXKRKYODWXDLG-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1coc(CN[C@H](C)Cc2cccnc2)n1 ZINC001258609718 991531415 /nfs/dbraw/zinc/53/14/15/991531415.db2.gz TWFODSBKIVCSGS-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN Fc1cccc(CN2CCCC23CC3)n1 ZINC001140130907 991535812 /nfs/dbraw/zinc/53/58/12/991535812.db2.gz WKFKFUJQUXAEPM-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN c1cc2cnccc2c(CN2CC3(COC3)C2)c1 ZINC001140140651 991541697 /nfs/dbraw/zinc/54/16/97/991541697.db2.gz HMAJQPJGJRXFLD-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN Cc1cc(CN2CCCC23COC3)c(C)cc1O ZINC001140201040 991560171 /nfs/dbraw/zinc/56/01/71/991560171.db2.gz DRHBUPBBWDRKJA-UHFFFAOYSA-N 0 1 247.338 2.374 20 0 BEADMN CCCCC[N@@H+](C)Cc1ccncc1[O-] ZINC001140274924 991576251 /nfs/dbraw/zinc/57/62/51/991576251.db2.gz IRMCHNVZCRKAHN-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN c1nc(CN2C3CCC2CC3)cn1C1CC1 ZINC001560728272 991578379 /nfs/dbraw/zinc/57/83/79/991578379.db2.gz MWXUMZSXBDSRCC-UHFFFAOYSA-N 0 1 217.316 2.345 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140274899 991582344 /nfs/dbraw/zinc/58/23/44/991582344.db2.gz HZKIWNXFPJEBSJ-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN [O-]c1cnccc1C[N@@H+](CC1CC1)C1CC1 ZINC001140281403 991601354 /nfs/dbraw/zinc/60/13/54/991601354.db2.gz BIXYZPBAHWTIHZ-UHFFFAOYSA-N 0 1 218.300 2.162 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccncc2[O-])C2(CC2)C1 ZINC001140280192 991601899 /nfs/dbraw/zinc/60/18/99/991601899.db2.gz CQZNGESROWVPIK-SNVBAGLBSA-N 0 1 218.300 2.162 20 0 BEADMN CCOC1CN(Cc2[nH]nc3ccc(C)cc32)C1 ZINC001140329492 991609008 /nfs/dbraw/zinc/60/90/08/991609008.db2.gz YMHOBPFIOQEHAM-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN COC[C@@H]1CCN1Cc1[nH]nc2ccc(C)cc21 ZINC001140331556 991609429 /nfs/dbraw/zinc/60/94/29/991609429.db2.gz KSNQAWDXLCJVIE-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CCCCC[C@H](CCC)N1CCNC(=O)C1 ZINC001258667294 991610087 /nfs/dbraw/zinc/61/00/87/991610087.db2.gz MHYITVZUBLBSHM-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CCN(Cc1[nH]nc2ccc(C)cc21)C1COC1 ZINC001140330260 991612000 /nfs/dbraw/zinc/61/20/00/991612000.db2.gz SCPSUVOZXOGCCL-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1cccnc1 ZINC001318050950 991618798 /nfs/dbraw/zinc/61/87/98/991618798.db2.gz VSEDYQCSNYHPMD-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN C[C@@H]1CN(Cc2ccc3n[nH]cc3c2)C[C@@H]1F ZINC001140384821 991632456 /nfs/dbraw/zinc/63/24/56/991632456.db2.gz OCLGGBVJJLWWRG-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN Cc1ccc(Cl)nc1CN(C)[C@@H]1CCOC1 ZINC001140447872 991641846 /nfs/dbraw/zinc/64/18/46/991641846.db2.gz OPMMOWYJRMQHCC-SNVBAGLBSA-N 0 1 240.734 2.264 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CCC[C@H]2C)c(C)c1C(=O)[O-] ZINC001140493588 991654251 /nfs/dbraw/zinc/65/42/51/991654251.db2.gz DXISGWGENPZFAG-MRVPVSSYSA-N 0 1 236.315 2.314 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(C)c1C(=O)[O-] ZINC001140496597 991655321 /nfs/dbraw/zinc/65/53/21/991655321.db2.gz JYIQYTQEIDERLC-PWSUYJOCSA-N 0 1 248.326 2.314 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001318520879 991673063 /nfs/dbraw/zinc/67/30/63/991673063.db2.gz CVZRCQRHOWPTDA-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@H](CCC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258753233 991697202 /nfs/dbraw/zinc/69/72/02/991697202.db2.gz WRSRZBDHDLGFJY-WCBMZHEXSA-N 0 1 244.360 2.244 20 0 BEADMN Cl/C=C\CNCc1ccc2nonc2c1 ZINC001561038919 991698547 /nfs/dbraw/zinc/69/85/47/991698547.db2.gz DSRUXWURSXFBMY-RJRFIUFISA-N 0 1 223.663 2.065 20 0 BEADMN CCCC[C@@H](CC)C(=O)NCCN1CC=CC1 ZINC001318712451 991705987 /nfs/dbraw/zinc/70/59/87/991705987.db2.gz GFTGDIYAQCCXEH-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN CCCCNC(=O)CN1CCC(CCC)CC1 ZINC001318907440 991735913 /nfs/dbraw/zinc/73/59/13/991735913.db2.gz SEAUWWCISZXPTN-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1cc(C)c(C(=O)Nc2nc(C(C)C)n[nH]2)o1 ZINC001318949373 991745072 /nfs/dbraw/zinc/74/50/72/991745072.db2.gz KNSWAQTUURIHQR-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1cc(C)c(C(=O)Nc2n[nH]c(C(C)C)n2)o1 ZINC001318949373 991745084 /nfs/dbraw/zinc/74/50/84/991745084.db2.gz KNSWAQTUURIHQR-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CN(CC1CCCC1)CN1C(=O)CC1(C)C ZINC001319000242 991759636 /nfs/dbraw/zinc/75/96/36/991759636.db2.gz FBFFWQSZPRPGOX-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CC(C)C1CCN(CN2C(=O)CC2(C)C)CC1 ZINC001319001382 991761993 /nfs/dbraw/zinc/76/19/93/991761993.db2.gz QCVUHCSISNRXGD-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@H](C)C[C@H](CC)n1c(C)nnc1CN ZINC001258788740 991770483 /nfs/dbraw/zinc/77/04/83/991770483.db2.gz RVTDONZVCBAGTA-ONGXEEELSA-N 0 1 224.352 2.433 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H](C)C2)[nH]1 ZINC001319051596 991773711 /nfs/dbraw/zinc/77/37/11/991773711.db2.gz JCDCELVNWBBGKS-SECBINFHSA-N 0 1 221.304 2.015 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001591120184 991790738 /nfs/dbraw/zinc/79/07/38/991790738.db2.gz LPDGOZNMKGTPFI-GMTAPVOTSA-N 0 1 231.311 2.166 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1CCn2nncc2C1 ZINC001258798123 991795137 /nfs/dbraw/zinc/79/51/37/991795137.db2.gz QWJGRRSMZMROBX-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1CCO[C@H](C(C)=O)C1 ZINC001258800909 991799223 /nfs/dbraw/zinc/79/92/23/991799223.db2.gz ZENDRDOMXYRNFP-YUTCNCBUSA-N 0 1 241.375 2.491 20 0 BEADMN CC1(NC(=O)c2ccc(CN3CCCC3)o2)CC1 ZINC001565757114 991804541 /nfs/dbraw/zinc/80/45/41/991804541.db2.gz MVPDJBBVAJQLAA-UHFFFAOYSA-N 0 1 248.326 2.158 20 0 BEADMN C[C@H]1CCC[C@@H](NCc2ncc(F)cn2)C1 ZINC001258806975 991806619 /nfs/dbraw/zinc/80/66/19/991806619.db2.gz CUATVZQNKZMPEU-GXSJLCMTSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)CCc1cc(C)[nH]n1 ZINC001565810777 991808441 /nfs/dbraw/zinc/80/84/41/991808441.db2.gz TUAYANZKBLVELF-ONGXEEELSA-N 0 1 237.347 2.202 20 0 BEADMN CC(C)C1CCC(N2CCN(C#N)CC2)CC1 ZINC001258806393 991809217 /nfs/dbraw/zinc/80/92/17/991809217.db2.gz XHXWBTFPXSRKPF-UHFFFAOYSA-N 0 1 235.375 2.300 20 0 BEADMN C[C@@H]1CCC[C@@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258810536 991817204 /nfs/dbraw/zinc/81/72/04/991817204.db2.gz NSLVKDXIHJINEA-GHMZBOCLSA-N 0 1 249.291 2.113 20 0 BEADMN C[C@H]1CCC[C@@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258810539 991819434 /nfs/dbraw/zinc/81/94/34/991819434.db2.gz NSLVKDXIHJINEA-WDEREUQCSA-N 0 1 249.291 2.113 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)OCO3)n[nH]1 ZINC001319286101 991830278 /nfs/dbraw/zinc/83/02/78/991830278.db2.gz GEXJBIKZFHYLFY-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)n[nH]1 ZINC001319316855 991839782 /nfs/dbraw/zinc/83/97/82/991839782.db2.gz XXVFQNSKNVRJDU-ZDUSSCGKSA-N 0 1 230.315 2.383 20 0 BEADMN CC(C)N1CCN([C@H]2CCC[C@@H](C)C2)CC1=O ZINC001258829016 991860644 /nfs/dbraw/zinc/86/06/44/991860644.db2.gz VHJMRBPKAIRCKV-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](CC)Cc1ccccc1 ZINC001258839809 991872654 /nfs/dbraw/zinc/87/26/54/991872654.db2.gz KPPOQPIKIKJCCU-HNNXBMFYSA-N 0 1 233.379 2.493 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H](CC)Cc1ccccc1 ZINC001258839809 991872660 /nfs/dbraw/zinc/87/26/60/991872660.db2.gz KPPOQPIKIKJCCU-HNNXBMFYSA-N 0 1 233.379 2.493 20 0 BEADMN C[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CC(C)(C)C1 ZINC001598447356 991887288 /nfs/dbraw/zinc/88/72/88/991887288.db2.gz CCRJMZDGHMQGIZ-RKDXNWHRSA-N 0 1 247.285 2.073 20 0 BEADMN COc1ccccc1C[C@H](C)[N@H+]1CCOC[C@H]1C ZINC001258888042 991891333 /nfs/dbraw/zinc/89/13/33/991891333.db2.gz IKXHXLZCWVFIOT-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1C[C@H](C)N1CCOC[C@H]1C ZINC001258888042 991891340 /nfs/dbraw/zinc/89/13/40/991891340.db2.gz IKXHXLZCWVFIOT-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN COc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1F ZINC001319607746 991907286 /nfs/dbraw/zinc/90/72/86/991907286.db2.gz LRYNBXUIMAPFBU-VIFPVBQESA-N 0 1 249.289 2.408 20 0 BEADMN C[N@@H+](C[C@H]1CC=CCC1)CC1(C(=O)[O-])CC1 ZINC001598453332 991911739 /nfs/dbraw/zinc/91/17/39/991911739.db2.gz DKQVIRRENTXJPF-NSHDSACASA-N 0 1 223.316 2.139 20 0 BEADMN C=C/C=C/CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001567068283 991936627 /nfs/dbraw/zinc/93/66/27/991936627.db2.gz FBMDXHGFXISZQL-AHYBDNRGSA-N 0 1 236.359 2.060 20 0 BEADMN Cc1nc(NS(=O)(=O)C2CCCC2)cs1 ZINC001259794621 991979575 /nfs/dbraw/zinc/97/95/75/991979575.db2.gz JCHJWNQLVWBIRX-UHFFFAOYSA-N 0 1 246.357 2.136 20 0 BEADMN Cc1cc(CN[C@H](c2cccnc2)C2CC2)[nH]n1 ZINC001319838860 992002655 /nfs/dbraw/zinc/00/26/55/992002655.db2.gz FVLWMZYQQWBUDI-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCc1ccc(F)cc1 ZINC001319911957 992028856 /nfs/dbraw/zinc/02/88/56/992028856.db2.gz AMJKTIVDCWMXIP-NEPJUHHUSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H]1[C@H](C)OCC[N@H+]1CCc1ccc(F)cc1 ZINC001319911957 992028844 /nfs/dbraw/zinc/02/88/44/992028844.db2.gz AMJKTIVDCWMXIP-NEPJUHHUSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H]1OCC[N@@H+](CCc2ccc(F)cc2)[C@H]1C ZINC001319911960 992029621 /nfs/dbraw/zinc/02/96/21/992029621.db2.gz AMJKTIVDCWMXIP-RYUDHWBXSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H]1OCCN(CCc2ccc(F)cc2)[C@H]1C ZINC001319911960 992029627 /nfs/dbraw/zinc/02/96/27/992029627.db2.gz AMJKTIVDCWMXIP-RYUDHWBXSA-N 0 1 237.318 2.477 20 0 BEADMN Cc1cc(CN(C)[C@H](C)c2cccnc2)n[nH]1 ZINC001320138822 992110819 /nfs/dbraw/zinc/11/08/19/992110819.db2.gz YNFGEGNEQULSIP-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN CC[C@@H](C)S(=O)(=O)Nc1nc(C)c(C)s1 ZINC001260722045 992130881 /nfs/dbraw/zinc/13/08/81/992130881.db2.gz MXKXLSYXUFVEGZ-ZCFIWIBFSA-N 0 1 248.373 2.300 20 0 BEADMN CC(C)C[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001591287162 992227818 /nfs/dbraw/zinc/22/78/18/992227818.db2.gz JZKZXFMJFPGVMK-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591287449 992230321 /nfs/dbraw/zinc/23/03/21/992230321.db2.gz SLEFEURZXOLPGT-MRVPVSSYSA-N 0 1 226.276 2.022 20 0 BEADMN CC(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001591367209 992389205 /nfs/dbraw/zinc/38/92/05/992389205.db2.gz QEPCPLCOHNCYAQ-UONOGXRCSA-N 0 1 247.338 2.443 20 0 BEADMN CC[C@@H](C)CN1CC(N(C)C(=O)CC(C)C)C1 ZINC001569482144 992395226 /nfs/dbraw/zinc/39/52/26/992395226.db2.gz SLZHERAYHQIVDT-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H](C)C2CC2)n[nH]1 ZINC001261585603 992407379 /nfs/dbraw/zinc/40/73/79/992407379.db2.gz CVVABVGKZVRFIE-JGVFFNPUSA-N 0 1 237.303 2.017 20 0 BEADMN Cc1cc(CNc2nc(C3(C)CC3)ns2)n[nH]1 ZINC001261848848 992543155 /nfs/dbraw/zinc/54/31/55/992543155.db2.gz MVZICVSQTIAHTQ-UHFFFAOYSA-N 0 1 249.343 2.233 20 0 BEADMN CN(CCC(F)(F)F)Cc1ccc(=O)[nH]c1 ZINC001262006817 992588229 /nfs/dbraw/zinc/58/82/29/992588229.db2.gz JRMOWFLJFJALFX-UHFFFAOYSA-N 0 1 234.221 2.171 20 0 BEADMN CCCn1cc(CN(CC)C(C)(C)C)nn1 ZINC001262010865 992600562 /nfs/dbraw/zinc/60/05/62/992600562.db2.gz QXPYUHHJTDWEEE-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001573407139 992611988 /nfs/dbraw/zinc/61/19/88/992611988.db2.gz CSCQUHTVWFTMJT-ASEORRQLSA-N 0 1 245.322 2.195 20 0 BEADMN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2)[C@H]1C ZINC001573643122 992666976 /nfs/dbraw/zinc/66/69/76/992666976.db2.gz WTBGMZCYODRMSX-RHYQMDGZSA-N 0 1 225.332 2.106 20 0 BEADMN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCCN2)[C@H](C)C1 ZINC001573641513 992669345 /nfs/dbraw/zinc/66/93/45/992669345.db2.gz NYVVJRWMZJUESL-WISYIIOYSA-N 0 1 225.332 2.106 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)CC12CCC2 ZINC001573735717 992691105 /nfs/dbraw/zinc/69/11/05/992691105.db2.gz HTSLGWMXBWWKLM-JQWIXIFHSA-N 0 1 237.343 2.362 20 0 BEADMN CCC[N@@H+](C[C@@H]1CCC(C)(C)O1)[C@@H](C)C(=O)[O-] ZINC001573752410 992699019 /nfs/dbraw/zinc/69/90/19/992699019.db2.gz JOVILGNZILQNNZ-QWRGUYRKSA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@H]1C[N@@H+](CCCC2CC2)C[C@]1(F)C(=O)[O-] ZINC001573824842 992725004 /nfs/dbraw/zinc/72/50/04/992725004.db2.gz RSQHTHVTRCPZSQ-WCQYABFASA-N 0 1 243.322 2.311 20 0 BEADMN CNc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC001573910059 992766327 /nfs/dbraw/zinc/76/63/27/992766327.db2.gz GYIQQQZMXZBSEP-ZDUSSCGKSA-N 0 1 248.326 2.167 20 0 BEADMN CNc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC001573910057 992767685 /nfs/dbraw/zinc/76/76/85/992767685.db2.gz GYIQQQZMXZBSEP-CYBMUJFWSA-N 0 1 248.326 2.167 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CC12CCC(CC1)C2 ZINC001574008122 992795313 /nfs/dbraw/zinc/79/53/13/992795313.db2.gz XAKXERUMRHAZJM-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc2c1CCC2 ZINC001574007944 992795520 /nfs/dbraw/zinc/79/55/20/992795520.db2.gz SJCNKHKYIGLLHO-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCC[C@H](F)C2)c2ncnn21 ZINC001262205151 992799251 /nfs/dbraw/zinc/79/92/51/992799251.db2.gz LSDQHXXUIGLMIP-RCWTZXSCSA-N 0 1 238.310 2.154 20 0 BEADMN CNc1ccccc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574037519 992800656 /nfs/dbraw/zinc/80/06/56/992800656.db2.gz AWCHGGFVUFUZGA-ZWNOBZJWSA-N 0 1 248.326 2.166 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C/C=C/Cl ZINC001574267489 992827208 /nfs/dbraw/zinc/82/72/08/992827208.db2.gz ZBNBLPPXFRLFJF-PVNVNXCXSA-N 0 1 217.696 2.067 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1Cc1ccccc1F ZINC001574403579 992853930 /nfs/dbraw/zinc/85/39/30/992853930.db2.gz SXFZZKGLIASZTH-NDMJEZRESA-N 0 1 249.285 2.263 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001574395808 992854659 /nfs/dbraw/zinc/85/46/59/992854659.db2.gz QTWYSAIFWVDATN-FQUUOJAGSA-N 0 1 249.354 2.218 20 0 BEADMN c1csc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC001262360857 992858304 /nfs/dbraw/zinc/85/83/04/992858304.db2.gz SYKDTQIHIGOKIV-MRVPVSSYSA-N 0 1 220.301 2.356 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001574457909 992862500 /nfs/dbraw/zinc/86/25/00/992862500.db2.gz HIXGYDUYMQQSSL-UHFFFAOYSA-N 0 1 234.299 2.255 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CC1CCCCCC1 ZINC001262491123 992895856 /nfs/dbraw/zinc/89/58/56/992895856.db2.gz SBPKOMPBNLJQRK-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1csc([C@@H](C)NC[C@H](O)CC)n1 ZINC001262575622 992931845 /nfs/dbraw/zinc/93/18/45/992931845.db2.gz USWQNVJZUKBISF-PSASIEDQSA-N 0 1 228.361 2.127 20 0 BEADMN Nc1nccc(NC[C@@H]2CCc3ccccc32)n1 ZINC001262683530 993025179 /nfs/dbraw/zinc/02/51/79/993025179.db2.gz LWUSWPSLUOZNDN-NSHDSACASA-N 0 1 240.310 2.201 20 0 BEADMN CCCCC[C@H]1CCCN1c1nccnc1CN ZINC001262687223 993027872 /nfs/dbraw/zinc/02/78/72/993027872.db2.gz HODRZUGLJPDHHL-LBPRGKRZSA-N 0 1 248.374 2.484 20 0 BEADMN CC(C)CCCCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001575565399 993069537 /nfs/dbraw/zinc/06/95/37/993069537.db2.gz LMEFOTVPKXAJNC-STQMWFEESA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H]1CC[C@H](NCc2nonc2C)C1 ZINC000380361859 993328563 /nfs/dbraw/zinc/32/85/63/993328563.db2.gz YUEURWFTYPPANY-UWVGGRQHSA-N 0 1 209.293 2.046 20 0 BEADMN CSc1ccncc1NCc1cc(C)[nH]n1 ZINC000381571808 993407876 /nfs/dbraw/zinc/40/78/76/993407876.db2.gz XNQNAIAPGIXVQA-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1cccc2ccoc21 ZINC001576863173 993439335 /nfs/dbraw/zinc/43/93/35/993439335.db2.gz UDFVIAGHTQHHKM-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CC[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587956711 993464541 /nfs/dbraw/zinc/46/45/41/993464541.db2.gz VCMISBJXTDSZBJ-ZETCQYMHSA-N 0 1 245.282 2.407 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@@H]1F ZINC001263796188 993521853 /nfs/dbraw/zinc/52/18/53/993521853.db2.gz ONINLHWPCYXKJU-IUCAKERBSA-N 0 1 233.246 2.168 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@H]1F ZINC001263796189 993523132 /nfs/dbraw/zinc/52/31/32/993523132.db2.gz ONINLHWPCYXKJU-RKDXNWHRSA-N 0 1 233.246 2.168 20 0 BEADMN Clc1ccccc1-c1noc([C@@H]2CCN2)n1 ZINC000384740966 993615220 /nfs/dbraw/zinc/61/52/20/993615220.db2.gz FDHWXKRCYASPSL-VIFPVBQESA-N 0 1 235.674 2.424 20 0 BEADMN Cc1ccc(F)cc1-c1noc([C@H]2CCN2)n1 ZINC000384812287 993628661 /nfs/dbraw/zinc/62/86/61/993628661.db2.gz GNXDANQYNVTZPW-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN Fc1cc(F)cc(-c2noc([C@@H]3CCN3)n2)c1 ZINC000384812855 993629460 /nfs/dbraw/zinc/62/94/60/993629460.db2.gz HAIFKXWYPMYACB-VIFPVBQESA-N 0 1 237.209 2.049 20 0 BEADMN Cc1cc(NC[C@H](C)C(=O)[O-])[nH+]c2ccccc12 ZINC000384977675 993640012 /nfs/dbraw/zinc/64/00/12/993640012.db2.gz MSDAXKMNAJGLHT-JTQLQIEISA-N 0 1 244.294 2.098 20 0 BEADMN CCCN(CCC)c1ccc(NC(=O)CN)cc1 ZINC001577519308 993675704 /nfs/dbraw/zinc/67/57/04/993675704.db2.gz LDHFUYAZRXHSQZ-UHFFFAOYSA-N 0 1 249.358 2.210 20 0 BEADMN CCC(=O)NCCNCc1sccc1Cl ZINC000393101794 993903272 /nfs/dbraw/zinc/90/32/72/993903272.db2.gz RAZPBVMRECWGEC-UHFFFAOYSA-N 0 1 246.763 2.017 20 0 BEADMN Nc1cccc(F)c1CN1CCC(F)CC1 ZINC000701879716 993934548 /nfs/dbraw/zinc/93/45/48/993934548.db2.gz BLWZCNDPRJUHIH-UHFFFAOYSA-N 0 1 226.270 2.342 20 0 BEADMN C[C@H]([NH2+][C@@H](C)c1ccc(C(=O)[O-])o1)c1cn[nH]c1 ZINC001593198894 994175383 /nfs/dbraw/zinc/17/53/83/994175383.db2.gz VINGNODPKVZJPI-YUMQZZPRSA-N 0 1 249.270 2.113 20 0 BEADMN CC(C)(CF)NC(=O)c1cccc(F)c1O ZINC001287715227 994446125 /nfs/dbraw/zinc/44/61/25/994446125.db2.gz JMXNYUUBNVWQQD-UHFFFAOYSA-N 0 1 229.226 2.009 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC001290783028 994560848 /nfs/dbraw/zinc/56/08/48/994560848.db2.gz TYGYAUKIEXGSPH-PSASIEDQSA-N 0 1 239.294 2.247 20 0 BEADMN CCC[C@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001291662298 994585437 /nfs/dbraw/zinc/58/54/37/994585437.db2.gz ZWKHMPZYSZVIRB-VIFPVBQESA-N 0 1 231.299 2.481 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@H](C)[C@H]2C)n[nH]1 ZINC001293919293 994675891 /nfs/dbraw/zinc/67/58/91/994675891.db2.gz PBXUBMDVNQQURD-CMPLNLGQSA-N 0 1 249.358 2.298 20 0 BEADMN CN(CCC1CC1)C(=O)c1cccc2[nH]cnc21 ZINC001295234335 994745049 /nfs/dbraw/zinc/74/50/49/994745049.db2.gz GJNMLZVSPPPJGY-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN O=C(c1c2[nH]cnc2ccc1F)N1CC=CCC1 ZINC001295641804 994772336 /nfs/dbraw/zinc/77/23/36/994772336.db2.gz ROMPMRRBASMMAP-UHFFFAOYSA-N 0 1 245.257 2.104 20 0 BEADMN CCc1csc(SCc2nnc[nH]2)n1 ZINC001335499159 994793911 /nfs/dbraw/zinc/79/39/11/994793911.db2.gz YEVASXFLEIBXBN-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN Cc1cccc2nc(NC[C@@H]3CCN3C)oc21 ZINC001335551502 994811372 /nfs/dbraw/zinc/81/13/72/994811372.db2.gz FXKRLKSPIOLMDJ-JTQLQIEISA-N 0 1 231.299 2.252 20 0 BEADMN CC1(F)CN(C(=O)c2ccc(Cl)c(O)c2)C1 ZINC001297326219 994856787 /nfs/dbraw/zinc/85/67/87/994856787.db2.gz BVUHIEYEHPUOPN-UHFFFAOYSA-N 0 1 243.665 2.230 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)c1[nH]ncc1F ZINC001299072366 994968331 /nfs/dbraw/zinc/96/83/31/994968331.db2.gz GXPOGAFFGQVLGB-SSDOTTSWSA-N 0 1 227.283 2.103 20 0 BEADMN Nc1nccc(NC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC001336666219 995072553 /nfs/dbraw/zinc/07/25/53/995072553.db2.gz QINABFKWQDSNPE-GHMZBOCLSA-N 0 1 232.331 2.297 20 0 BEADMN Cn1ccnc1C[N@@H+](C)CC1(C)CCCC1 ZINC001336742847 995091811 /nfs/dbraw/zinc/09/18/11/995091811.db2.gz RMLUOCNGEKFNRA-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CN(Cc1nccn1C)CC1(C)CCCC1 ZINC001336742847 995091819 /nfs/dbraw/zinc/09/18/19/995091819.db2.gz RMLUOCNGEKFNRA-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN O=C(c1cnc[nH]1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001304220338 995197314 /nfs/dbraw/zinc/19/73/14/995197314.db2.gz QIRRXADPVJQKJL-AAEUAGOBSA-N 0 1 245.326 2.060 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2nnc(C(C)C)o2)[nH]n1 ZINC001337665491 995215046 /nfs/dbraw/zinc/21/50/46/995215046.db2.gz RQALDEOLSNWVPB-MRVPVSSYSA-N 0 1 249.318 2.268 20 0 BEADMN C[C@@H]1CN(C2CC2)CCN1C(=O)CC(C)(C)C ZINC001306860287 995267026 /nfs/dbraw/zinc/26/70/26/995267026.db2.gz ZTTUFYWNLZWFIK-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nsc(NCc2ccc3cncn3c2)n1 ZINC001307139529 995292326 /nfs/dbraw/zinc/29/23/26/995292326.db2.gz UMVDIBHHPKCWAG-UHFFFAOYSA-N 0 1 245.311 2.106 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)CC1=NOCC1 ZINC001307651642 995426284 /nfs/dbraw/zinc/42/62/84/995426284.db2.gz QOQLNIYAONSFSK-ZDUSSCGKSA-N 0 1 233.315 2.241 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC001307833086 995475002 /nfs/dbraw/zinc/47/50/02/995475002.db2.gz YSKABVMITABDTO-SNXWAXQRSA-N 0 1 221.304 2.217 20 0 BEADMN CN(Cc1ncccn1)C[C@H]1CCC(F)(F)C1 ZINC001308034191 995530198 /nfs/dbraw/zinc/53/01/98/995530198.db2.gz CJWFMWLCNDDQSD-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593723689 996259695 /nfs/dbraw/zinc/25/96/95/996259695.db2.gz CHVJVLHIWWHRCZ-GMXVVIOVSA-N 0 1 248.326 2.185 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001593903746 996776153 /nfs/dbraw/zinc/77/61/53/996776153.db2.gz KQBCBROIEFHFGC-RKDXNWHRSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@]1(F)CCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC001594045185 997697936 /nfs/dbraw/zinc/69/79/36/997697936.db2.gz PGQKODJVSYNYEO-LBPRGKRZSA-N 0 1 238.262 2.108 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC=C(C)C2)cc1C(=O)[O-] ZINC001594112919 998216430 /nfs/dbraw/zinc/21/64/30/998216430.db2.gz DETQGYYEXCVHGW-UHFFFAOYSA-N 0 1 234.299 2.173 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccn1C1CC1 ZINC001594167065 998641141 /nfs/dbraw/zinc/64/11/41/998641141.db2.gz JCFYERYXNRMOPD-ZWNOBZJWSA-N 0 1 248.326 2.118 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccnc1 ZINC001594210732 998819207 /nfs/dbraw/zinc/81/92/07/998819207.db2.gz USXGVDCJVBKZHT-PTEHBNRSSA-N 0 1 248.326 2.155 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001594231535 998880381 /nfs/dbraw/zinc/88/03/81/998880381.db2.gz CJDNFJRDRBAJED-PHIMTYICSA-N 0 1 249.310 2.133 20 0 BEADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001594282415 999092309 /nfs/dbraw/zinc/09/23/09/999092309.db2.gz GMSYPNFCUGSUNZ-SNVBAGLBSA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001594302873 999171616 /nfs/dbraw/zinc/17/16/16/999171616.db2.gz RZBZBPJHPFWKBG-OCAPTIKFSA-N 0 1 240.328 2.214 20 0 BEADMN Cn1ccnc1CN[C@H]1C[C@H]1Cc1ccccc1 ZINC001620802820 1170153651 /nfs/dbraw/zinc/15/36/51/1170153651.db2.gz YNNPIAFZNSNXDL-KGLIPLIRSA-N 0 1 241.338 2.141 20 0 BEADMN CN(Cc1cccc(N)c1)Cc1ccccn1 ZINC000035359917 1170164682 /nfs/dbraw/zinc/16/46/82/1170164682.db2.gz NKQNYWZMVSQVEU-UHFFFAOYSA-N 0 1 227.311 2.296 20 0 BEADMN CCn1ccc(CNC2(C3(C)CC3)CC2)n1 ZINC001620935550 1170171401 /nfs/dbraw/zinc/17/14/01/1170171401.db2.gz UPLMPPGTMGCPMR-UHFFFAOYSA-N 0 1 219.332 2.325 20 0 BEADMN c1csc(CNCc2ccc3cncn3c2)n1 ZINC001620964702 1170176141 /nfs/dbraw/zinc/17/61/41/1170176141.db2.gz BZVPBNKUNCRMHT-UHFFFAOYSA-N 0 1 244.323 2.081 20 0 BEADMN CCn1ccc(CNc2ccc3c[nH]nc3c2)n1 ZINC001621046549 1170189455 /nfs/dbraw/zinc/18/94/55/1170189455.db2.gz JYQOKEXGNXXHAI-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN C[C@H](Cc1ccno1)N[C@H]1C[C@H](C)n2ccnc21 ZINC001621336764 1170199153 /nfs/dbraw/zinc/19/91/53/1170199153.db2.gz IOPUINTZIHSTDG-SCVCMEIPSA-N 0 1 246.314 2.098 20 0 BEADMN O=C([O-])c1cc(C[NH+]2Cc3ccccc3C2)c[nH]1 ZINC001608842821 1170202907 /nfs/dbraw/zinc/20/29/07/1170202907.db2.gz XMAGMTCOCNUQOS-UHFFFAOYSA-N 0 1 242.278 2.229 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[Si](C)(C)C ZINC001609701874 1170279212 /nfs/dbraw/zinc/27/92/12/1170279212.db2.gz QNNHWNPWIWKRGB-JTQLQIEISA-N 0 1 231.412 2.295 20 0 BEADMN CC1=C[C@@H](C)C[C@@H](C[N@H+](C)[C@H](C)C(=O)[O-])C1 ZINC001609828832 1170298449 /nfs/dbraw/zinc/29/84/49/1170298449.db2.gz PMANARAYNPYRRA-YUSALJHKSA-N 0 1 225.332 2.384 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC001609843323 1170301559 /nfs/dbraw/zinc/30/15/59/1170301559.db2.gz SMBXGQBPUXTNHF-UMNHJUIQSA-N 0 1 219.284 2.295 20 0 BEADMN CC/C=C\CC[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001609952088 1170325979 /nfs/dbraw/zinc/32/59/79/1170325979.db2.gz SORJSNBJXAKVEG-ZHRWSRJISA-N 0 1 243.347 2.153 20 0 BEADMN CCCC[C@@H](SC[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC001609967205 1170332839 /nfs/dbraw/zinc/33/28/39/1170332839.db2.gz NSXSRLMKPHWMRQ-GHMZBOCLSA-N 0 1 245.388 2.315 20 0 BEADMN CC[N@H+](Cc1cc(C(=O)[O-])n(C)c1)CC(C)C ZINC001610002923 1170338806 /nfs/dbraw/zinc/33/88/06/1170338806.db2.gz PCPQAQLDWHVTDR-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC001610075666 1170343517 /nfs/dbraw/zinc/34/35/17/1170343517.db2.gz SGYQORFWERPZGZ-RKDXNWHRSA-N 0 1 237.299 2.380 20 0 BEADMN CCc1oc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001610078177 1170348003 /nfs/dbraw/zinc/34/80/03/1170348003.db2.gz KFCCNVBUABDGEK-BDAKNGLRSA-N 0 1 237.299 2.380 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](F)C1 ZINC001610529918 1170382050 /nfs/dbraw/zinc/38/20/50/1170382050.db2.gz VHVYBSBGXXLWSY-ZYHUDNBSSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@H](F)C1 ZINC001610529918 1170382056 /nfs/dbraw/zinc/38/20/56/1170382056.db2.gz VHVYBSBGXXLWSY-ZYHUDNBSSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1cccc2c1CC(C)(C)[N@@H+](CC(=O)[O-])C2 ZINC001610527227 1170383319 /nfs/dbraw/zinc/38/33/19/1170383319.db2.gz XHINTYNYTZXYSG-UHFFFAOYSA-N 0 1 233.311 2.216 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)[C@H]1C ZINC001610528967 1170384497 /nfs/dbraw/zinc/38/44/97/1170384497.db2.gz FRRCRJIVTLMNCF-DMDPSCGWSA-N 0 1 233.311 2.461 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC001610726546 1170405137 /nfs/dbraw/zinc/40/51/37/1170405137.db2.gz UADZSHMTHXSXSB-ZDUSSCGKSA-N 0 1 245.322 2.168 20 0 BEADMN CCC(CC)=NNC(=O)c1[nH]nc2c1CCCC2 ZINC000010852307 1170462423 /nfs/dbraw/zinc/46/24/23/1170462423.db2.gz AOZCQTLYNAATLP-UHFFFAOYSA-N 0 1 248.330 2.194 20 0 BEADMN COc1ccc(CCSc2nnc(C)[nH]2)cc1 ZINC000011700369 1170472219 /nfs/dbraw/zinc/47/22/19/1170472219.db2.gz LRKNGNYUCVQXHR-UHFFFAOYSA-N 0 1 249.339 2.457 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc(F)c1 ZINC000034100375 1170537135 /nfs/dbraw/zinc/53/71/35/1170537135.db2.gz CYEZZRAWEKOVJF-UHFFFAOYSA-N 0 1 219.219 2.110 20 0 BEADMN Cc1ccnc(CN2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001616464805 1170557068 /nfs/dbraw/zinc/55/70/68/1170557068.db2.gz CBCLQVVEBNDJPI-NWDGAFQWSA-N 0 1 238.281 2.477 20 0 BEADMN Cc1n[nH]cc1CNCc1cnc(C2CC2)s1 ZINC001620716407 1170706256 /nfs/dbraw/zinc/70/62/56/1170706256.db2.gz CHUSBENMZTXEJV-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1nnc(SC[C@H]2CC2(Cl)Cl)[nH]1 ZINC000022613435 1170711666 /nfs/dbraw/zinc/71/16/66/1170711666.db2.gz MIUKLVXKRCGNBO-RXMQYKEDSA-N 0 1 238.143 2.399 20 0 BEADMN Fc1cccn2cc(CNCCC(F)F)nc12 ZINC001621103842 1170716444 /nfs/dbraw/zinc/71/64/44/1170716444.db2.gz MCQKWUIHBQKNRH-UHFFFAOYSA-N 0 1 243.232 2.218 20 0 BEADMN Cc1c[nH]nc1CNC[C@@H]1OCc2ccccc21 ZINC001621105133 1170715295 /nfs/dbraw/zinc/71/52/95/1170715295.db2.gz JADWWDBZZNAYSO-AWEZNQCLSA-N 0 1 243.310 2.079 20 0 BEADMN CC[C@H](NCc1ncccc1F)[C@@H](O)C(C)C ZINC001621392731 1170792146 /nfs/dbraw/zinc/79/21/46/1170792146.db2.gz CDZRIZUZVQKIMW-AAEUAGOBSA-N 0 1 240.322 2.106 20 0 BEADMN FC[C@H]1CCN(Cc2ncccc2F)C1 ZINC001621495725 1170827234 /nfs/dbraw/zinc/82/72/34/1170827234.db2.gz BIWGUNYHUHGMKA-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN CC(=O)c1ccccc1OC1CCN(C)CC1 ZINC000031978604 1170879766 /nfs/dbraw/zinc/87/97/66/1170879766.db2.gz AXELBDSJZIWDCV-UHFFFAOYSA-N 0 1 233.311 2.362 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)Cc1c[nH]cn1 ZINC001624054194 1171003515 /nfs/dbraw/zinc/00/35/15/1171003515.db2.gz FOGQGBHLGUZTEO-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccccc1OC ZINC001624217725 1171026935 /nfs/dbraw/zinc/02/69/35/1171026935.db2.gz JIHKXGAMNROJKV-UHFFFAOYSA-N 0 1 245.282 2.233 20 0 BEADMN CCCCCCNC(=O)CCc1cc(C)[nH]n1 ZINC001624932369 1171064278 /nfs/dbraw/zinc/06/42/78/1171064278.db2.gz GCHHTPQRFJRYQN-UHFFFAOYSA-N 0 1 237.347 2.347 20 0 BEADMN CCC[C@@H](C)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001624939258 1171065580 /nfs/dbraw/zinc/06/55/80/1171065580.db2.gz RBEPXUXRUOKWQM-NXEZZACHSA-N 0 1 249.358 2.453 20 0 BEADMN CC(=Cc1ccc(C)cc1)C(=O)Nc1c[nH]nn1 ZINC001625488270 1171103859 /nfs/dbraw/zinc/10/38/59/1171103859.db2.gz HDWNEIXJFOLWHG-YFHOEESVSA-N 0 1 242.282 2.155 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC001628727255 1171261258 /nfs/dbraw/zinc/26/12/58/1171261258.db2.gz PLUQWUWWLFGKQJ-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001629881165 1171351191 /nfs/dbraw/zinc/35/11/91/1171351191.db2.gz CYKLODYDHCPTQN-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN Cc1cccc2nc(-c3cnccn3)[nH]c21 ZINC000044548245 1171394522 /nfs/dbraw/zinc/39/45/22/1171394522.db2.gz FLQGXSMDIRDWMU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1c(O)cccc1F ZINC001632378302 1171504832 /nfs/dbraw/zinc/50/48/32/1171504832.db2.gz SAXYBHWIKLUFRR-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC[C@@H](C)C2)n[nH]1 ZINC001633185520 1171560065 /nfs/dbraw/zinc/56/00/65/1171560065.db2.gz ZDCNUBQVBYBMNP-LLVKDONJSA-N 0 1 249.358 2.299 20 0 BEADMN CC(C)OC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000047908624 1171572169 /nfs/dbraw/zinc/57/21/69/1171572169.db2.gz DUCFUHPTFSFYMI-SNVBAGLBSA-N 0 1 225.332 2.201 20 0 BEADMN CC(C)OC(=O)CN(C)CC1CCCCC1 ZINC000047861726 1171573477 /nfs/dbraw/zinc/57/34/77/1171573477.db2.gz UVRKQQIABBLIRU-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC(=Cc1ccco1)C(=O)NCc1cc(C)[nH]n1 ZINC001633500743 1171584850 /nfs/dbraw/zinc/58/48/50/1171584850.db2.gz FGPMHEACTNAYSU-RMKNXTFCSA-N 0 1 245.282 2.031 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1cc(C)[nH]n1 ZINC001633511690 1171587234 /nfs/dbraw/zinc/58/72/34/1171587234.db2.gz MJGOSLNOJSEOJT-GXFFZTMASA-N 0 1 249.358 2.298 20 0 BEADMN COc1cccc(NC(=O)c2[nH]cnc2C)c1F ZINC001633580785 1171588949 /nfs/dbraw/zinc/58/89/49/1171588949.db2.gz DXHSCUKIPDDEDU-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2c1cccc2F ZINC001633610630 1171592815 /nfs/dbraw/zinc/59/28/15/1171592815.db2.gz LCPURFPPLVJKCC-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN CC1(NC(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001633679874 1171599621 /nfs/dbraw/zinc/59/96/21/1171599621.db2.gz CJEFLVOYALACDN-UHFFFAOYSA-N 0 1 225.675 2.328 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)C1CCCCCC1 ZINC001633719678 1171601004 /nfs/dbraw/zinc/60/10/04/1171601004.db2.gz JCPLLBKHSGCGNU-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H](C(=O)NCc1cnc[nH]1)[C@H](C)C(C)(C)C ZINC001634073538 1171622016 /nfs/dbraw/zinc/62/20/16/1171622016.db2.gz DYIPDAMUKIAQNK-UWVGGRQHSA-N 0 1 237.347 2.344 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)Nc1cccnc1 ZINC000049519472 1171700562 /nfs/dbraw/zinc/70/05/62/1171700562.db2.gz NGOWNONVANLCQX-ZDUSSCGKSA-N 0 1 247.342 2.285 20 0 BEADMN c1csc(CNCCNc2ccccc2)n1 ZINC000049538938 1171702186 /nfs/dbraw/zinc/70/21/86/1171702186.db2.gz HVTSNTYNSLUHHC-UHFFFAOYSA-N 0 1 233.340 2.345 20 0 BEADMN CC(C)N(CCCO)Cc1nc2ccccc2[nH]1 ZINC000050105768 1171763725 /nfs/dbraw/zinc/76/37/25/1171763725.db2.gz UOQQHCMEVBDHJQ-UHFFFAOYSA-N 0 1 247.342 2.156 20 0 BEADMN CC/C=C(\F)C(=O)NCc1ccc2nc[nH]c2c1 ZINC001636044729 1171791997 /nfs/dbraw/zinc/79/19/97/1171791997.db2.gz ZSIGAVKCOGCZQQ-KMKOMSMNSA-N 0 1 247.273 2.443 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001636500865 1171840567 /nfs/dbraw/zinc/84/05/67/1171840567.db2.gz PEFSVXFFVNZMKN-LWTINBJPSA-N 0 1 247.342 2.231 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1[nH]ncc1F ZINC001636916554 1171891555 /nfs/dbraw/zinc/89/15/55/1171891555.db2.gz JEECJCAYFYIZEW-MRVPVSSYSA-N 0 1 227.283 2.105 20 0 BEADMN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)[C@H](C)CO1 ZINC000052096999 1171940018 /nfs/dbraw/zinc/94/00/18/1171940018.db2.gz YAWNDFHVKXSODO-NFAWXSAZSA-N 0 1 249.354 2.003 20 0 BEADMN CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC12CC2 ZINC000629834755 361734125 /nfs/dbraw/zinc/73/41/25/361734125.db2.gz PMZUKLNGWMGALS-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)CN(C(=O)Cc1ccn[nH]1)C1CCCC1 ZINC000266900720 538913595 /nfs/dbraw/zinc/91/35/95/538913595.db2.gz ZCEYRFAZIINYPL-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN CCC(CC)(CC)NCc1nnc(C)o1 ZINC000228122749 168319202 /nfs/dbraw/zinc/31/92/02/168319202.db2.gz ATDOTYJZADIRRY-UHFFFAOYSA-N 0 1 211.309 2.436 20 0 BEADMN Cc1c(Cl)c(CNCC2(C)CC2)nn1C ZINC000421373132 192321630 /nfs/dbraw/zinc/32/16/30/192321630.db2.gz ZHNXXZFXSNOKBK-UHFFFAOYSA-N 0 1 227.739 2.272 20 0 BEADMN C[C@@H]1CCC[C@@H](Cn2cc(CNC3CC3)nn2)C1 ZINC000385290531 398145122 /nfs/dbraw/zinc/14/51/22/398145122.db2.gz OWJQSYUBRUYMEN-VXGBXAGGSA-N 0 1 248.374 2.356 20 0 BEADMN Cc1cnc(NCc2cn[nH]c2C)s1 ZINC000271930681 398145150 /nfs/dbraw/zinc/14/51/50/398145150.db2.gz KVNQLYWZHQLXPP-UHFFFAOYSA-N 0 1 208.290 2.095 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000300982289 349490356 /nfs/dbraw/zinc/49/03/56/349490356.db2.gz SEIZCCSMUNXJGX-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1ccnc(CN(CC2CC2)CC2CC2)n1 ZINC000336720175 187322582 /nfs/dbraw/zinc/32/25/82/187322582.db2.gz YJOUASVTHSQDMB-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN CCC(CC)(CO)NCc1csc(C)n1 ZINC000053065802 168330196 /nfs/dbraw/zinc/33/01/96/168330196.db2.gz NFWQFWNWVGSEHX-UHFFFAOYSA-N 0 1 228.361 2.092 20 0 BEADMN CCc1nnc(CN(CC)C[C@H](C)CC)[nH]1 ZINC000158804308 136214157 /nfs/dbraw/zinc/21/41/57/136214157.db2.gz XTJSOLYFEKTJJD-SNVBAGLBSA-N 0 1 224.352 2.235 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000362277390 168335711 /nfs/dbraw/zinc/33/57/11/168335711.db2.gz FKJKFTVRYUFSHA-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062750798 187323870 /nfs/dbraw/zinc/32/38/70/187323870.db2.gz HVDYHIFQFTZPDK-UHFFFAOYSA-N 0 1 225.263 2.364 20 0 BEADMN C[C@@H](CCO)N(C)Cc1nc2ccccc2o1 ZINC000649866193 398149196 /nfs/dbraw/zinc/14/91/96/398149196.db2.gz MVKSEOWAPMIWBW-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCc2ccccc2)C1 ZINC000062936203 349502592 /nfs/dbraw/zinc/50/25/92/349502592.db2.gz NAKCBWVXNLOPAV-CQSZACIVSA-N 0 1 233.311 2.026 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C)C2)oc1C(=O)[O-] ZINC000040718732 178000179 /nfs/dbraw/zinc/00/01/79/178000179.db2.gz FHYOXTDFJUSZOY-QMMMGPOBSA-N 0 1 223.272 2.128 20 0 BEADMN Cc1cc(CN2CC[C@H](C)[C@H](C)C2)no1 ZINC000122554400 178001630 /nfs/dbraw/zinc/00/16/30/178001630.db2.gz DHILOEYSXLSMJE-VHSXEESVSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000152644675 178007019 /nfs/dbraw/zinc/00/70/19/178007019.db2.gz YWSULRURAAIEMN-PHIMTYICSA-N 0 1 206.289 2.215 20 0 BEADMN CC(C)=CCN[C@@H](C)c1nnc2ccccn21 ZINC000237544584 398155450 /nfs/dbraw/zinc/15/54/50/398155450.db2.gz MNJUTXOSRSZZFS-NSHDSACASA-N 0 1 230.315 2.346 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000063067577 349505944 /nfs/dbraw/zinc/50/59/44/349505944.db2.gz INVVHEJWFVYPIY-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN COC[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019904988 398172555 /nfs/dbraw/zinc/17/25/55/398172555.db2.gz CDSJVOUCWAVNNI-WDEREUQCSA-N 0 1 247.342 2.259 20 0 BEADMN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)on1 ZINC000649901783 398173106 /nfs/dbraw/zinc/17/31/06/398173106.db2.gz RFIVBPBPLQOJAS-JTQLQIEISA-N 0 1 228.242 2.214 20 0 BEADMN Cc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)no1 ZINC000340517140 178036624 /nfs/dbraw/zinc/03/66/24/178036624.db2.gz YWOVTDBZRXXAEF-JHJVBQTASA-N 0 1 248.326 2.030 20 0 BEADMN Cc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)no1 ZINC000340517158 178037276 /nfs/dbraw/zinc/03/72/76/178037276.db2.gz YWOVTDBZRXXAEF-UPJWGTAASA-N 0 1 248.326 2.030 20 0 BEADMN Cc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)no1 ZINC000368621698 178037530 /nfs/dbraw/zinc/03/75/30/178037530.db2.gz KGROFRMTHQPREU-OLZOCXBDSA-N 0 1 236.315 2.030 20 0 BEADMN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCOC1 ZINC000424206389 398175372 /nfs/dbraw/zinc/17/53/72/398175372.db2.gz WZKSALOHVIQPLR-AGIUHOORSA-N 0 1 221.275 2.002 20 0 BEADMN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCOC1 ZINC000424206402 398175480 /nfs/dbraw/zinc/17/54/80/398175480.db2.gz WZKSALOHVIQPLR-XQQFMLRXSA-N 0 1 221.275 2.002 20 0 BEADMN CCCC[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000034974430 262807711 /nfs/dbraw/zinc/80/77/11/262807711.db2.gz AKCSQLBNYRYAMU-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccncc1 ZINC000608058343 398176148 /nfs/dbraw/zinc/17/61/48/398176148.db2.gz NDYHGRAJHJSPQY-CYBMUJFWSA-N 0 1 230.315 2.354 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000649907144 398181822 /nfs/dbraw/zinc/18/18/22/398181822.db2.gz JUXAJPFTWKEYER-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN Cc1ncc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000649907144 398181825 /nfs/dbraw/zinc/18/18/25/398181825.db2.gz JUXAJPFTWKEYER-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C2(C)CCCC2)n[nH]1 ZINC000269106749 178056764 /nfs/dbraw/zinc/05/67/64/178056764.db2.gz QHJNCNXBHGFLMG-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(Cc2nc(CC3CCCC3)no2)[nH]n1 ZINC000293371340 178059417 /nfs/dbraw/zinc/05/94/17/178059417.db2.gz PDFIZBBIXRMBRP-UHFFFAOYSA-N 0 1 246.314 2.425 20 0 BEADMN Cc1ccc(CC[N@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000258752709 349514235 /nfs/dbraw/zinc/51/42/35/349514235.db2.gz ITXCNBOQAWEYHU-UHFFFAOYSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)cc(F)c1 ZINC000091517513 178078147 /nfs/dbraw/zinc/07/81/47/178078147.db2.gz AVJHMFPMVHQPIF-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@@H]1CCCO1 ZINC000072817899 398187599 /nfs/dbraw/zinc/18/75/99/398187599.db2.gz JOSPOWXTBUFZBY-RYUDHWBXSA-N 0 1 220.316 2.044 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCCC(C)(C)C1 ZINC000112701790 187325541 /nfs/dbraw/zinc/32/55/41/187325541.db2.gz YMFLZAANWXOITJ-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(F)ccc1CCNCc1cocn1 ZINC000192324180 178083762 /nfs/dbraw/zinc/08/37/62/178083762.db2.gz PXGDLSHNWDKCSH-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN Cc1cc(F)ccc1CN1CC2(C1)CCOC2 ZINC000294009974 178085346 /nfs/dbraw/zinc/08/53/46/178085346.db2.gz MUWLITMAXSSGOR-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN Cc1c(CNCc2ccc(F)cc2C)cnn1C ZINC000156615611 178086963 /nfs/dbraw/zinc/08/69/63/178086963.db2.gz DXDJPOGBYBKKOE-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1ccc(CNc2nc(C)cc(N(C)C)n2)o1 ZINC000283793781 178097401 /nfs/dbraw/zinc/09/74/01/178097401.db2.gz MRYGARJFYGTSGV-UHFFFAOYSA-N 0 1 246.314 2.365 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H](C3CC3)C2)n[nH]1 ZINC000334260315 398194530 /nfs/dbraw/zinc/19/45/30/398194530.db2.gz WCLYWHZFMZVCKN-NSHDSACASA-N 0 1 247.342 2.405 20 0 BEADMN FC1(F)CC[C@@H](CN2CCc3c[nH]nc3C2)C1 ZINC000649393208 398198194 /nfs/dbraw/zinc/19/81/94/398198194.db2.gz RJMHRCOGIQEQCV-SECBINFHSA-N 0 1 241.285 2.203 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCCC(C)(F)F ZINC000650430251 398199143 /nfs/dbraw/zinc/19/91/43/398199143.db2.gz SBWAPSJKKPPROI-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN CCC(CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000192971173 168342393 /nfs/dbraw/zinc/34/23/93/168342393.db2.gz VTZUPOKVYASDOV-UHFFFAOYSA-N 0 1 248.286 2.439 20 0 BEADMN COC(=O)C1(C)CN(Cc2ccc(C)s2)C1 ZINC000425375945 398220030 /nfs/dbraw/zinc/22/00/30/398220030.db2.gz VHDXNFYSAZVDPS-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)NCc1cnc[nH]1 ZINC000331089347 398217498 /nfs/dbraw/zinc/21/74/98/398217498.db2.gz UAYJJNGCJHAYPQ-SNVBAGLBSA-N 0 1 223.320 2.098 20 0 BEADMN COC(=O)C1(C)CN(Cc2ccc(C)cc2C)C1 ZINC000425375931 398220007 /nfs/dbraw/zinc/22/00/07/398220007.db2.gz VELAYTRYOZPWSL-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN CC(C)C(CN1CC[S@@](=O)[C@@H](C)C1)C(C)C ZINC000576366695 365579811 /nfs/dbraw/zinc/57/98/11/365579811.db2.gz FLEWESDQKXHBHI-BLLLJJGKSA-N 0 1 245.432 2.367 20 0 BEADMN CC(C)C(CN1CC[S@](=O)[C@@H](C)C1)C(C)C ZINC000576366701 365580510 /nfs/dbraw/zinc/58/05/10/365580510.db2.gz FLEWESDQKXHBHI-LRDDRELGSA-N 0 1 245.432 2.367 20 0 BEADMN CC(C)=CCN[C@H](C)c1nnc2ccccn21 ZINC000237426238 187329636 /nfs/dbraw/zinc/32/96/36/187329636.db2.gz MNJUTXOSRSZZFS-LLVKDONJSA-N 0 1 230.315 2.346 20 0 BEADMN CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000042317334 168350536 /nfs/dbraw/zinc/35/05/36/168350536.db2.gz RBNKTBVJCVKUMY-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(C(C)=O)c1 ZINC000576405277 365587887 /nfs/dbraw/zinc/58/78/87/365587887.db2.gz IPPPAGQTTGTUKB-UHFFFAOYSA-N 0 1 249.310 2.186 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020087728 538930681 /nfs/dbraw/zinc/93/06/81/538930681.db2.gz DKZBOLHUXLKOHF-SFYZADRCSA-N 0 1 228.361 2.445 20 0 BEADMN Cc1ncc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)o1 ZINC000628322278 398222951 /nfs/dbraw/zinc/22/29/51/398222951.db2.gz MDXCIOAUERONQB-PHIMTYICSA-N 0 1 238.331 2.419 20 0 BEADMN CC(=O)CC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263717440 187331731 /nfs/dbraw/zinc/33/17/31/187331731.db2.gz OABLZBXZHVOVRI-HNNXBMFYSA-N 0 1 247.338 2.211 20 0 BEADMN CC(=O)CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000263717440 187331733 /nfs/dbraw/zinc/33/17/33/187331733.db2.gz OABLZBXZHVOVRI-HNNXBMFYSA-N 0 1 247.338 2.211 20 0 BEADMN Cc1cc(N[C@H](C)CO)c2cc(F)ccc2n1 ZINC000268783131 178186213 /nfs/dbraw/zinc/18/62/13/178186213.db2.gz CXDNKLHSFYDJMP-SECBINFHSA-N 0 1 234.274 2.475 20 0 BEADMN CCCCCNC(=O)CN1CC(C)=C[C@H](C)C1 ZINC000430283509 398226202 /nfs/dbraw/zinc/22/62/02/398226202.db2.gz ZFZVLYZPPYGWTE-LBPRGKRZSA-N 0 1 238.375 2.191 20 0 BEADMN CC[C@@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000020196169 538931148 /nfs/dbraw/zinc/93/11/48/538931148.db2.gz IQAQLTYHOCFMFS-XVKPBYJWSA-N 0 1 228.361 2.181 20 0 BEADMN Cc1cc(CNCc2ccncc2)cc(C)n1 ZINC000421392016 192327730 /nfs/dbraw/zinc/32/77/30/192327730.db2.gz WYQYGOIWFSFUOC-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000279602221 178202515 /nfs/dbraw/zinc/20/25/15/178202515.db2.gz XDCOPYOYKYROLE-NGZCFLSTSA-N 0 1 235.331 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000279602221 178202518 /nfs/dbraw/zinc/20/25/18/178202518.db2.gz XDCOPYOYKYROLE-NGZCFLSTSA-N 0 1 235.331 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC[C@@H]2C)n1 ZINC000192607719 178203821 /nfs/dbraw/zinc/20/38/21/178203821.db2.gz UUSLOBOBSCHPAM-UWVGGRQHSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC[C@@H]2C)n1 ZINC000192607719 178203822 /nfs/dbraw/zinc/20/38/22/178203822.db2.gz UUSLOBOBSCHPAM-UWVGGRQHSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CCCCC2)n1 ZINC000177911659 178204087 /nfs/dbraw/zinc/20/40/87/178204087.db2.gz LYQGKDATVSBQRE-JTQLQIEISA-N 0 1 221.304 2.038 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000370501488 178204270 /nfs/dbraw/zinc/20/42/70/178204270.db2.gz WNPPQTRMBFQHFZ-ZYHUDNBSSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000370501488 178204275 /nfs/dbraw/zinc/20/42/75/178204275.db2.gz WNPPQTRMBFQHFZ-ZYHUDNBSSA-N 0 1 247.342 2.284 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000342659302 136223625 /nfs/dbraw/zinc/22/36/25/136223625.db2.gz GQXXDUVXROKODR-VWYCJHECSA-N 0 1 247.342 2.087 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000629881660 361752900 /nfs/dbraw/zinc/75/29/00/361752900.db2.gz YACYDMFZJMMTII-VUDBWIFFSA-N 0 1 233.315 2.228 20 0 BEADMN COCc1nc(CNC[C@@H]2C[C@@H]2C)cs1 ZINC000164428270 361756082 /nfs/dbraw/zinc/75/60/82/361756082.db2.gz WFYHPGBYZNUJSF-IUCAKERBSA-N 0 1 226.345 2.035 20 0 BEADMN C=Cn1cc(CNCc2cc(C)nc(C)c2)cn1 ZINC000421390810 192328446 /nfs/dbraw/zinc/32/84/46/192328446.db2.gz VGFPDYYYPONCFR-UHFFFAOYSA-N 0 1 242.326 2.285 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)cc(C)c1O ZINC000421402777 192330534 /nfs/dbraw/zinc/33/05/34/192330534.db2.gz MVMHNMOSXMSZID-OAHLLOKOSA-N 0 1 247.338 2.374 20 0 BEADMN CC(C)[C@@H](C)N(C(=O)CCc1cnc[nH]1)C1CC1 ZINC000276640971 538933034 /nfs/dbraw/zinc/93/30/34/538933034.db2.gz UWYZQTPCICJZPR-LLVKDONJSA-N 0 1 249.358 2.378 20 0 BEADMN CCC(CC)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000330974864 168354858 /nfs/dbraw/zinc/35/48/58/168354858.db2.gz SSUNPUSNLOBIBD-UHFFFAOYSA-N 0 1 237.347 2.240 20 0 BEADMN Cc1cc([C@@H](C)NCCc2nccs2)no1 ZINC000289629713 178227573 /nfs/dbraw/zinc/22/75/73/178227573.db2.gz HFRCUALCMBNKMZ-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(C)C)cs1 ZINC000296444814 178229003 /nfs/dbraw/zinc/22/90/03/178229003.db2.gz MVLXCHTYOOTROA-ZJUUUORDSA-N 0 1 240.372 2.184 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2CSC2(C)C)nn1C ZINC000283891520 178232507 /nfs/dbraw/zinc/23/25/07/178232507.db2.gz FXJOFGPPVRQVIL-KOLCDFICSA-N 0 1 239.388 2.273 20 0 BEADMN CCC[C@@H](CC)NC(=O)CN(C)C1CCC1 ZINC000629952260 361798180 /nfs/dbraw/zinc/79/81/80/361798180.db2.gz BJAZVLVCCOCRHE-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN CN(Cc1cccs1)C(=O)CCc1cnc[nH]1 ZINC000280383696 538936920 /nfs/dbraw/zinc/93/69/20/538936920.db2.gz WGOXAWZMKCLSFK-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCCCC[C@H]2O)no1 ZINC000331433582 178253550 /nfs/dbraw/zinc/25/35/50/178253550.db2.gz JIVGHUVFRVKXBY-DMDPSCGWSA-N 0 1 238.331 2.327 20 0 BEADMN CC1(C)CC[C@H](n2cc(CNC3CC3)nn2)C1 ZINC000629942007 361786796 /nfs/dbraw/zinc/78/67/96/361786796.db2.gz ZHQBXDKUPISCHW-LBPRGKRZSA-N 0 1 234.347 2.281 20 0 BEADMN CCC[C@H](O)CN[C@H](C)c1nc(C)cs1 ZINC000649430963 398233288 /nfs/dbraw/zinc/23/32/88/398233288.db2.gz BMXPNFVLZMYPKA-ZJUUUORDSA-N 0 1 228.361 2.263 20 0 BEADMN C[C@@H](N[C@H]1COc2ccccc2C1)c1ncc[nH]1 ZINC000279101188 538935712 /nfs/dbraw/zinc/93/57/12/538935712.db2.gz VENIYAVKJFEFJQ-ZYHUDNBSSA-N 0 1 243.310 2.064 20 0 BEADMN Cc1cc([C@H](C)NCc2cncn2C)c(C)o1 ZINC000112344355 178252184 /nfs/dbraw/zinc/25/21/84/178252184.db2.gz LHXGBJNFWZYUIH-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)C(=O)N(C)C)c(C)o1 ZINC000036794408 178256212 /nfs/dbraw/zinc/25/62/12/178256212.db2.gz NDQOVXMRPQWMEI-VHSXEESVSA-N 0 1 238.331 2.024 20 0 BEADMN C[C@@H]1CN(Cc2ccnn2C)C[C@H](C)C1(F)F ZINC000625655275 398237119 /nfs/dbraw/zinc/23/71/19/398237119.db2.gz SVDYJANMKBBGIY-AOOOYVTPSA-N 0 1 243.301 2.143 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCSC2)no1 ZINC000282741105 178257706 /nfs/dbraw/zinc/25/77/06/178257706.db2.gz NDYCKLFOLSUGTR-IUCAKERBSA-N 0 1 212.318 2.139 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000629964791 361812460 /nfs/dbraw/zinc/81/24/60/361812460.db2.gz IPJGGAHUANHDRP-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCC1(CC)CN(CN2CCC[C@H]2C)C(=O)O1 ZINC000180251369 259306593 /nfs/dbraw/zinc/30/65/93/259306593.db2.gz UMQNRMIXUNNGMH-LLVKDONJSA-N 0 1 240.347 2.439 20 0 BEADMN CCC1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC000629969355 361815006 /nfs/dbraw/zinc/81/50/06/361815006.db2.gz IGYUJKSCBAGGEM-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cc([C@H]2CCCN2C[C@H](O)C(C)C)no1 ZINC000374092437 178267465 /nfs/dbraw/zinc/26/74/65/178267465.db2.gz DVRWKUCBBIPCMG-OLZOCXBDSA-N 0 1 238.331 2.137 20 0 BEADMN C[C@H]1CCN(C(=O)CCc2cnc[nH]2)CC1(C)C ZINC000281655259 538939161 /nfs/dbraw/zinc/93/91/61/538939161.db2.gz RTNDRMBELCAESH-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000629970395 361819458 /nfs/dbraw/zinc/81/94/58/361819458.db2.gz KVTDJMFLSRSPHK-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000629970398 361819516 /nfs/dbraw/zinc/81/95/16/361819516.db2.gz KVTDJMFLSRSPHK-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc(C)c(CNCc2ccccn2)s1 ZINC000076865055 398248698 /nfs/dbraw/zinc/24/86/98/398248698.db2.gz KQNLCXGLFLEGGY-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCCN(CC)Cc1cc(C(=O)OCC)no1 ZINC000602430664 349535048 /nfs/dbraw/zinc/53/50/48/349535048.db2.gz LOJVNPOYFPTNOE-UHFFFAOYSA-N 0 1 240.303 2.083 20 0 BEADMN OCc1ccc(CN2CC(C3CCCC3)C2)o1 ZINC000576601667 365637981 /nfs/dbraw/zinc/63/79/81/365637981.db2.gz ZEFNIAISSMOUDV-UHFFFAOYSA-N 0 1 235.327 2.394 20 0 BEADMN Cc1ccccc1C[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000258910232 349535139 /nfs/dbraw/zinc/53/51/39/349535139.db2.gz MANQJCMUYDWMQG-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN Cc1nsc(-c2cc(C(F)(F)F)n[nH]2)n1 ZINC000649444189 398246661 /nfs/dbraw/zinc/24/66/61/398246661.db2.gz HLZDDESPWFCWIL-UHFFFAOYSA-N 0 1 234.206 2.255 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)CN(C)C)C1 ZINC000286435056 538943554 /nfs/dbraw/zinc/94/35/54/538943554.db2.gz SDYAZYNRCSMVAA-OCCSQVGLSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)cn1 ZINC000041152847 178333067 /nfs/dbraw/zinc/33/30/67/178333067.db2.gz DLJAWEMXPFOCBH-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396588 178335380 /nfs/dbraw/zinc/33/53/80/178335380.db2.gz RVSFOIIKUPWHAU-NSHDSACASA-N 0 1 229.283 2.470 20 0 BEADMN CCCn1ncnc1CN1C[C@@H](C)C[C@@H]1CC ZINC000576697043 365659342 /nfs/dbraw/zinc/65/93/42/365659342.db2.gz BUJPSASMWXDUEY-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)o1 ZINC000041052619 178336793 /nfs/dbraw/zinc/33/67/93/178336793.db2.gz PFYYDNYSJSUHTA-SECBINFHSA-N 0 1 221.260 2.294 20 0 BEADMN CCC[C@@H](NCc1cncn1C)c1cccnc1 ZINC000289915692 538946456 /nfs/dbraw/zinc/94/64/56/538946456.db2.gz UPGFPARSVSMKBJ-CQSZACIVSA-N 0 1 244.342 2.446 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@]1(C)C(=O)[O-] ZINC000576710171 365667407 /nfs/dbraw/zinc/66/74/07/365667407.db2.gz CKJJLGHQPCCABL-LDYMZIIASA-N 0 1 247.285 2.074 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C2CC2)nc1 ZINC000576722262 365670160 /nfs/dbraw/zinc/67/01/60/365670160.db2.gz KBRXXVLHPNGFNS-JTQLQIEISA-N 0 1 205.305 2.015 20 0 BEADMN C[C@@H](NCC(C)(C)O)c1c(F)cccc1F ZINC000078514774 398259258 /nfs/dbraw/zinc/25/92/58/398259258.db2.gz WAGVQDQFNJKLTG-MRVPVSSYSA-N 0 1 229.270 2.386 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCC[C@@H](C)C2)[nH]1 ZINC000334559653 136231474 /nfs/dbraw/zinc/23/14/74/136231474.db2.gz BCMNHNPGZZMLIY-NXEZZACHSA-N 0 1 222.336 2.296 20 0 BEADMN C1=C(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000381618911 398267280 /nfs/dbraw/zinc/26/72/80/398267280.db2.gz XKPRJJNOPVOMAK-VIFPVBQESA-N 0 1 205.261 2.061 20 0 BEADMN CC(C)[C@@H]1CN(Cc2cncnc2)CCS1 ZINC000180244794 538957263 /nfs/dbraw/zinc/95/72/63/538957263.db2.gz OLKALEZXXYMABB-LBPRGKRZSA-N 0 1 237.372 2.050 20 0 BEADMN CSC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000602553880 349595536 /nfs/dbraw/zinc/59/55/36/349595536.db2.gz WQHFMAUGCLNMHX-MRVPVSSYSA-N 0 1 226.345 2.393 20 0 BEADMN c1nc(CNc2cc3c(cn2)CCC3)co1 ZINC000378869069 346851335 /nfs/dbraw/zinc/85/13/35/346851335.db2.gz JBRHBIMZZBJHAN-UHFFFAOYSA-N 0 1 215.256 2.170 20 0 BEADMN Cc1ccccc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000650503292 398273912 /nfs/dbraw/zinc/27/39/12/398273912.db2.gz WYKSUVVYKQNSBP-DGCLKSJQSA-N 0 1 233.311 2.433 20 0 BEADMN CCOC(=O)c1cccc(CN2CCC[C@@H]2C)n1 ZINC000600120075 342676470 /nfs/dbraw/zinc/67/64/70/342676470.db2.gz ZNTWUVNAGSURHV-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN CC[C@@](C)(NCCOC)c1nccs1 ZINC000053289760 346858130 /nfs/dbraw/zinc/85/81/30/346858130.db2.gz OYDAABGGSMXCJW-SNVBAGLBSA-N 0 1 214.334 2.004 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cc2n(n1)CCCC2 ZINC000649479967 398277811 /nfs/dbraw/zinc/27/78/11/398277811.db2.gz POGYPKQCIYMKSX-NSHDSACASA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cc2n(n1)CCCC2 ZINC000649479964 398277839 /nfs/dbraw/zinc/27/78/39/398277839.db2.gz POGYPKQCIYMKSX-LLVKDONJSA-N 0 1 233.359 2.450 20 0 BEADMN CC/C=C\CNCc1cccc(C(=O)OCC)n1 ZINC000600162692 342693560 /nfs/dbraw/zinc/69/35/60/342693560.db2.gz VGBJWXOMFMSFFV-WAYWQWQTSA-N 0 1 248.326 2.314 20 0 BEADMN CCCCOCCNCc1ccncc1F ZINC000449106398 398276522 /nfs/dbraw/zinc/27/65/22/398276522.db2.gz LSTXUQQUYQFDHB-UHFFFAOYSA-N 0 1 226.295 2.127 20 0 BEADMN C/C=C\CNCc1cc(C(=O)OC)oc1C ZINC000600203970 342701540 /nfs/dbraw/zinc/70/15/40/342701540.db2.gz HASFKMNENANDSJ-PLNGDYQASA-N 0 1 223.272 2.040 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCC1=CCCCC1 ZINC000650517825 398278968 /nfs/dbraw/zinc/27/89/68/398278968.db2.gz CDSMYIOIIQEMFE-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177279795 168382486 /nfs/dbraw/zinc/38/24/86/168382486.db2.gz LPBDOJIYXULGTK-SNVBAGLBSA-N 0 1 235.331 2.134 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@H](C)OC)cs1 ZINC000167454899 361865634 /nfs/dbraw/zinc/86/56/34/361865634.db2.gz NRIJVMNWHAHWPK-IUCAKERBSA-N 0 1 228.361 2.219 20 0 BEADMN CCC(CC)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052880971 168383305 /nfs/dbraw/zinc/38/33/05/168383305.db2.gz BBMCKHDVILRPIN-AWEZNQCLSA-N 0 1 234.343 2.165 20 0 BEADMN CCc1nc(CN[C@H](C)[C@@H](C)OC)cs1 ZINC000167454786 361865981 /nfs/dbraw/zinc/86/59/81/361865981.db2.gz NRIJVMNWHAHWPK-RKDXNWHRSA-N 0 1 228.361 2.219 20 0 BEADMN C[C@H]1C[C@H](CO)CN(Cc2ccc(Cl)o2)C1 ZINC000335609714 136236706 /nfs/dbraw/zinc/23/67/06/136236706.db2.gz FAXNHCDCKFJWSJ-UWVGGRQHSA-N 0 1 243.734 2.383 20 0 BEADMN CCC(C)(C)CNC(=O)CN(C)C1CCC1 ZINC000629987319 361874717 /nfs/dbraw/zinc/87/47/17/361874717.db2.gz IWQBLGCWWXZJQP-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CCCC[C@H]1CN(C)Cc1nnc[nH]1 ZINC000183085045 538965888 /nfs/dbraw/zinc/96/58/88/538965888.db2.gz MNIWHCLMBODDTF-QWRGUYRKSA-N 0 1 222.336 2.063 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)C1CCCCCC1)N(C)C ZINC001638257806 1172007181 /nfs/dbraw/zinc/00/71/81/1172007181.db2.gz ADRAXGFIXZIQFP-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1cnccn1)OCC ZINC000624048069 342764418 /nfs/dbraw/zinc/76/44/18/342764418.db2.gz AZRQWBIAKJTVKX-RYUDHWBXSA-N 0 1 237.347 2.332 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1cnccn1)OCC ZINC000624048067 342764581 /nfs/dbraw/zinc/76/45/81/342764581.db2.gz AZRQWBIAKJTVKX-NEPJUHHUSA-N 0 1 237.347 2.332 20 0 BEADMN Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1 ZINC000634583415 342801749 /nfs/dbraw/zinc/80/17/49/342801749.db2.gz VONSLIKJIJZICG-NSHDSACASA-N 0 1 246.335 2.451 20 0 BEADMN c1ccc2c(c1)CN(CCOCC1CC1)CCO2 ZINC000607727183 342782482 /nfs/dbraw/zinc/78/24/82/342782482.db2.gz LMQAJBUKWCUYPP-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CCN(CC)CC(=O)N1CCc2c1cccc2C ZINC000126854348 342784098 /nfs/dbraw/zinc/78/40/98/342784098.db2.gz WIZDNAPCALKIGJ-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN COc1ncncc1CN(CC(C)C)C1CC1 ZINC000648002165 398285589 /nfs/dbraw/zinc/28/55/89/398285589.db2.gz BOAHULKRKAPGGY-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000185415772 538970361 /nfs/dbraw/zinc/97/03/61/538970361.db2.gz QIEGKSMWYIPXCE-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000032015459 342797052 /nfs/dbraw/zinc/79/70/52/342797052.db2.gz JVLWYHYTBGBQJO-QMMMGPOBSA-N 0 1 227.691 2.245 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccccc3)[nH]c21 ZINC000634582738 342798512 /nfs/dbraw/zinc/79/85/12/342798512.db2.gz ZNSBHYFGGVSYOM-GXSJLCMTSA-N 0 1 214.268 2.435 20 0 BEADMN Cc1cc(C)cc(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000335517093 398290380 /nfs/dbraw/zinc/29/03/80/398290380.db2.gz NMNKYKSCIWHTIY-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN Cc1nsc(NC[C@H]2CCCC23CC3)n1 ZINC000624757073 342825513 /nfs/dbraw/zinc/82/55/13/342825513.db2.gz LPIMHGXAWDPHKR-SECBINFHSA-N 0 1 223.345 2.261 20 0 BEADMN CO[C@H]1C[C@H](Nc2ccnc(C)c2Cl)C1 ZINC000624730400 342823224 /nfs/dbraw/zinc/82/32/24/342823224.db2.gz HDXRZDUDMMEOOD-KYZUINATSA-N 0 1 226.707 2.055 20 0 BEADMN Cc1cnccc1CCN1CCOCC12CCC2 ZINC000335463985 398289005 /nfs/dbraw/zinc/28/90/05/398289005.db2.gz SVUMWEANOASFIU-UHFFFAOYSA-N 0 1 246.354 2.187 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@@H]2CCC[C@H]21 ZINC000336392581 342805129 /nfs/dbraw/zinc/80/51/29/342805129.db2.gz XUZSWVHLRMURFM-MWLCHTKSSA-N 0 1 233.315 2.060 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@@H]2CCC[C@@H]21 ZINC000336392579 342805152 /nfs/dbraw/zinc/80/51/52/342805152.db2.gz XUZSWVHLRMURFM-GXSJLCMTSA-N 0 1 233.315 2.060 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@H]2CCC[C@H]21 ZINC000336392580 342805168 /nfs/dbraw/zinc/80/51/68/342805168.db2.gz XUZSWVHLRMURFM-KOLCDFICSA-N 0 1 233.315 2.060 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H](C)[C@@H]1C ZINC000335464535 398289607 /nfs/dbraw/zinc/28/96/07/398289607.db2.gz VFWTYPGISNJNEN-STQMWFEESA-N 0 1 234.343 2.042 20 0 BEADMN CCC1(CC)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000188594429 538979539 /nfs/dbraw/zinc/97/95/39/538979539.db2.gz WLOLTKYJPMCTNV-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN FC1(F)CCC[C@@H]1NCC[C@H]1CCOC1 ZINC000380176834 538986766 /nfs/dbraw/zinc/98/67/66/538986766.db2.gz KFBVKOVKXCZSGB-UWVGGRQHSA-N 0 1 219.275 2.190 20 0 BEADMN CC(C)=CCCN[C@@H](C)c1nnc(C)o1 ZINC000380214265 538987322 /nfs/dbraw/zinc/98/73/22/538987322.db2.gz HVTCJGTUTAQZCX-VIFPVBQESA-N 0 1 209.293 2.385 20 0 BEADMN CC(C)Cn1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634584096 342828713 /nfs/dbraw/zinc/82/87/13/342828713.db2.gz RWCKPGSMNWFGLO-UWVGGRQHSA-N 0 1 208.305 2.277 20 0 BEADMN CC(C)Cn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634584096 342828714 /nfs/dbraw/zinc/82/87/14/342828714.db2.gz RWCKPGSMNWFGLO-UWVGGRQHSA-N 0 1 208.305 2.277 20 0 BEADMN CC(C)Cn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634584097 342828827 /nfs/dbraw/zinc/82/88/27/342828827.db2.gz RWCKPGSMNWFGLO-VHSXEESVSA-N 0 1 208.305 2.277 20 0 BEADMN Cc1nccc(NCC[C@H]2CCCO2)c1Cl ZINC000380728930 538992237 /nfs/dbraw/zinc/99/22/37/538992237.db2.gz PWVZZRSIHVSMAL-SNVBAGLBSA-N 0 1 240.734 2.446 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1ncccn1 ZINC000192015836 538994236 /nfs/dbraw/zinc/99/42/36/538994236.db2.gz PWUDSUMDOKJNIQ-GHMZBOCLSA-N 0 1 205.305 2.240 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000188846022 538979813 /nfs/dbraw/zinc/97/98/13/538979813.db2.gz HLGFNCSTBOFFKC-ZYHUDNBSSA-N 0 1 235.331 2.037 20 0 BEADMN CO[C@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000381971741 398291205 /nfs/dbraw/zinc/29/12/05/398291205.db2.gz CCXDXCLLYOCOFE-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN CC(C)C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000189179397 538980998 /nfs/dbraw/zinc/98/09/98/538980998.db2.gz TXKSVKYAEYCUMX-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cn[nH]c1CNc1cccc(F)c1 ZINC000335623865 136240409 /nfs/dbraw/zinc/24/04/09/136240409.db2.gz CYTZTTJSNYDDFN-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN COC[C@H](CNCc1cscc1Cl)OC ZINC000379963701 538982750 /nfs/dbraw/zinc/98/27/50/538982750.db2.gz XZIGFICMPFXKHO-VIFPVBQESA-N 0 1 249.763 2.153 20 0 BEADMN Cc1cc(NC(=O)CCc2cnc[nH]2)ccc1F ZINC000193146726 539002324 /nfs/dbraw/zinc/00/23/24/539002324.db2.gz GLFPOCZFMFLQFR-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN C[C@@H](N[C@H]1CCC(F)(F)C1)c1nccn1C ZINC000381510500 539002888 /nfs/dbraw/zinc/00/28/88/539002888.db2.gz QVIPCQRZONEAHB-BDAKNGLRSA-N 0 1 229.274 2.259 20 0 BEADMN CC[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000193290861 539004260 /nfs/dbraw/zinc/00/42/60/539004260.db2.gz QDRMSNKSQVDNRK-GFCCVEGCSA-N 0 1 249.358 2.381 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000082776912 259322685 /nfs/dbraw/zinc/32/26/85/259322685.db2.gz PAUFUMGTWWVRGH-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN FC(F)(F)CNCc1[nH]nc2ccccc21 ZINC000051666689 539011649 /nfs/dbraw/zinc/01/16/49/539011649.db2.gz HZTCNCPSWYKQTA-UHFFFAOYSA-N 0 1 229.205 2.215 20 0 BEADMN CCC[C@H]1CN(CCSCC)CCO1 ZINC000132168899 323014371 /nfs/dbraw/zinc/01/43/71/323014371.db2.gz NDEZLIXUXBSEFF-NSHDSACASA-N 0 1 217.378 2.240 20 0 BEADMN Cc1noc([C@H](C)NC[C@]2(C)CCCS2)n1 ZINC000390505935 539022842 /nfs/dbraw/zinc/02/28/42/539022842.db2.gz XAYRBXUQPVLVSL-KWQFWETISA-N 0 1 241.360 2.314 20 0 BEADMN Cc1nccc(N2CC[C@@H](O)[C@H]2C)c1Cl ZINC000649502135 398297263 /nfs/dbraw/zinc/29/72/63/398297263.db2.gz KJYHGMBDWCGNCS-PSASIEDQSA-N 0 1 226.707 2.003 20 0 BEADMN CC[C@@]1(NCc2csc(C)n2)CCOC1 ZINC000389952397 539018990 /nfs/dbraw/zinc/01/89/90/539018990.db2.gz SQFZZKIPSWCZPM-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000335644728 136243504 /nfs/dbraw/zinc/24/35/04/136243504.db2.gz UPGHMTYLBHTYBK-DGCLKSJQSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@H]1CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649503996 398301253 /nfs/dbraw/zinc/30/12/53/398301253.db2.gz FZZHAHFRQLRFGZ-NSHDSACASA-N 0 1 219.332 2.061 20 0 BEADMN C[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625063073 342847650 /nfs/dbraw/zinc/84/76/50/342847650.db2.gz HCYHFRUWAVXVFN-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CCCCN1CC(=O)NCC(C)(C)C ZINC000625063073 342847651 /nfs/dbraw/zinc/84/76/51/342847651.db2.gz HCYHFRUWAVXVFN-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(CC(=O)NC(C)(C)C(C)(C)C)[nH]n1 ZINC000350765474 398302219 /nfs/dbraw/zinc/30/22/19/398302219.db2.gz GPZSOMPROUQKMO-UHFFFAOYSA-N 0 1 237.347 2.202 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)c2cccs2)n[nH]1 ZINC000335647130 136243895 /nfs/dbraw/zinc/24/38/95/136243895.db2.gz IBFBCWGWVVXEJR-BAHMLBHCSA-N 0 1 241.341 2.043 20 0 BEADMN Clc1csc(N[C@H]2CN3CCC2CC3)n1 ZINC000164974690 342861334 /nfs/dbraw/zinc/86/13/34/342861334.db2.gz QTMQIMFJNSHTRF-QMMMGPOBSA-N 0 1 243.763 2.303 20 0 BEADMN Cc1[nH]ncc1CNc1nc(Cl)cs1 ZINC000164990703 342863470 /nfs/dbraw/zinc/86/34/70/342863470.db2.gz WGFGZTZAEONTED-UHFFFAOYSA-N 0 1 228.708 2.440 20 0 BEADMN c1ccc2c(c1)CN(CCOC1CCOCC1)C2 ZINC000625148821 342894139 /nfs/dbraw/zinc/89/41/39/342894139.db2.gz AZUOPXXGJVAILC-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN CCOc1cncc(CN2CCCC2)c1 ZINC000621327503 342895538 /nfs/dbraw/zinc/89/55/38/342895538.db2.gz PDCOFJLTHDRRKI-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN CCOc1ccc(C2=NN(CC)C(=O)C2)cc1 ZINC000634584493 342898068 /nfs/dbraw/zinc/89/80/68/342898068.db2.gz DAQWAVVUYCEWGU-UHFFFAOYSA-N 0 1 232.283 2.042 20 0 BEADMN C=CCCC[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232781623 342880323 /nfs/dbraw/zinc/88/03/23/342880323.db2.gz DEIBPVUFLCDMFK-CYBMUJFWSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1nc(CNCCc2ccco2)cs1 ZINC000035121657 342882628 /nfs/dbraw/zinc/88/26/28/342882628.db2.gz CESKSKILFCRQOT-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN COc1cncc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000625189212 342905255 /nfs/dbraw/zinc/90/52/55/342905255.db2.gz VUOURSTWTSDZAA-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1cncc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000625189209 342905443 /nfs/dbraw/zinc/90/54/43/342905443.db2.gz VUOURSTWTSDZAA-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)CC[C@H](C)NCc1csnn1 ZINC000036902010 342913065 /nfs/dbraw/zinc/91/30/65/342913065.db2.gz ACTWHOUWXZRJKG-VIFPVBQESA-N 0 1 213.350 2.452 20 0 BEADMN Cc1ncc(CNc2nccn2CC(C)C)cn1 ZINC000351566902 136247079 /nfs/dbraw/zinc/24/70/79/136247079.db2.gz HEKCLPNTBAKICO-UHFFFAOYSA-N 0 1 245.330 2.250 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](C)CCCC(=O)[O-])c1 ZINC000234289572 342918571 /nfs/dbraw/zinc/91/85/71/342918571.db2.gz UYOMJLRGZUDIGP-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CCC[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000116157246 342921082 /nfs/dbraw/zinc/92/10/82/342921082.db2.gz NLWBCVIKAWQSQQ-UHFFFAOYSA-N 0 1 228.317 2.073 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)C2)CC(=O)N1 ZINC000514652610 398326961 /nfs/dbraw/zinc/32/69/61/398326961.db2.gz GEMJJSOMHWVEBD-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC)C1CCCC1 ZINC000047965555 342930596 /nfs/dbraw/zinc/93/05/96/342930596.db2.gz VAWDBHMUIIWFPU-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC(C)C1(CN2CC[C@H](C)[S@@](=O)CC2)CC1 ZINC000602636462 349650596 /nfs/dbraw/zinc/65/05/96/349650596.db2.gz IISSLRZYFKDZPV-LRDDRELGSA-N 0 1 243.416 2.266 20 0 BEADMN CC(C)(C)Cn1[nH]c(C[C@@H]2CCCO2)cc1=O ZINC000634587967 342932996 /nfs/dbraw/zinc/93/29/96/342932996.db2.gz FHHYDGXPMJWOCT-NSHDSACASA-N 0 1 238.331 2.190 20 0 BEADMN C[C@@H]1CCc2c1[nH]n(C1CCCC1)c2=O ZINC000634587980 342933016 /nfs/dbraw/zinc/93/30/16/342933016.db2.gz FRENYAMBXYPYPK-SCZZXKLOSA-N 0 1 206.289 2.173 20 0 BEADMN CCc1nc(CSCc2ccccn2)n[nH]1 ZINC000618499823 349659207 /nfs/dbraw/zinc/65/92/07/349659207.db2.gz BFINEBCNPKUVDA-UHFFFAOYSA-N 0 1 234.328 2.196 20 0 BEADMN CC[C@@H](C(=O)N1CCC1)N(C)Cc1ccccc1 ZINC000351729817 136249837 /nfs/dbraw/zinc/24/98/37/136249837.db2.gz HOYRRQRWKRQZHF-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1noc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000248051589 398338649 /nfs/dbraw/zinc/33/86/49/398338649.db2.gz XIFXDCZVNHIDID-BBBLOLIVSA-N 0 1 223.320 2.417 20 0 BEADMN Cc1cccc(C(C)C)c1NC(=O)CN ZINC000011957141 346885765 /nfs/dbraw/zinc/88/57/65/346885765.db2.gz MDIGWZMMGWDKGX-UHFFFAOYSA-N 0 1 206.289 2.016 20 0 BEADMN COc1ncc(CN2CC[C@H](SC)C2)s1 ZINC000602682481 349674436 /nfs/dbraw/zinc/67/44/36/349674436.db2.gz YINOOQNHEGLKBE-QMMMGPOBSA-N 0 1 244.385 2.089 20 0 BEADMN O=c1c2c([nH]n1CC1CCCC1)CCC2 ZINC000634591404 342941944 /nfs/dbraw/zinc/94/19/44/342941944.db2.gz BSSRKLKSQFTQRP-SNVBAGLBSA-N 0 1 206.289 2.175 20 0 BEADMN CC[C@H](C)c1cc(=O)n(-c2ccncc2)[nH]1 ZINC000634591832 342943791 /nfs/dbraw/zinc/94/37/91/342943791.db2.gz PKBZUUCBCQFQOC-VIFPVBQESA-N 0 1 217.272 2.220 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCCCC3)no2)C[C@@H]1F ZINC000335619369 398341839 /nfs/dbraw/zinc/34/18/39/398341839.db2.gz WXTAXYDHMAPZPS-GZMMTYOYSA-N 0 1 239.294 2.187 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)CCC1CC1 ZINC000351751518 136251075 /nfs/dbraw/zinc/25/10/75/136251075.db2.gz IZSSGOCWAYVFBJ-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC000635650235 398344218 /nfs/dbraw/zinc/34/42/18/398344218.db2.gz WIYHWQHXBJARIN-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368852 398344546 /nfs/dbraw/zinc/34/45/46/398344546.db2.gz PHBCBQDQAVOUIL-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cccc(O)c2)cn1 ZINC000351751424 136251184 /nfs/dbraw/zinc/25/11/84/136251184.db2.gz BEJLJMRZSKYGRA-JTQLQIEISA-N 0 1 243.310 2.341 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cccc(O)c2)cn1 ZINC000351751425 136251372 /nfs/dbraw/zinc/25/13/72/136251372.db2.gz BEJLJMRZSKYGRA-SNVBAGLBSA-N 0 1 243.310 2.341 20 0 BEADMN C[C@H](F)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351760628 136252310 /nfs/dbraw/zinc/25/23/10/136252310.db2.gz VIWICWLQVCUJRO-VHSXEESVSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@H](F)CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000351760628 136252311 /nfs/dbraw/zinc/25/23/11/136252311.db2.gz VIWICWLQVCUJRO-VHSXEESVSA-N 0 1 211.284 2.295 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602669523 349685634 /nfs/dbraw/zinc/68/56/34/349685634.db2.gz JIQVBXWGDBHMRQ-LLVKDONJSA-N 0 1 236.315 2.094 20 0 BEADMN O=c1c2c([nH]n1CCc1ccccc1)CCC2 ZINC000634593398 342951006 /nfs/dbraw/zinc/95/10/06/342951006.db2.gz NLSKGRBNJUWZQI-LBPRGKRZSA-N 0 1 228.295 2.227 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634593756 342951432 /nfs/dbraw/zinc/95/14/32/342951432.db2.gz YVLRXVNZBJUTRM-TVQRCGJNSA-N 0 1 244.294 2.444 20 0 BEADMN CC[C@]1(C)COCC[N@H+]1CCCCF ZINC000351761363 136252609 /nfs/dbraw/zinc/25/26/09/136252609.db2.gz XHQLBHIEEHCWFL-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN Cc1[nH]n(-c2ccc(F)c(F)c2F)c(=O)c1C ZINC000634594660 342956168 /nfs/dbraw/zinc/95/61/68/342956168.db2.gz CEYKYFKLLMQKIR-YFKPBYRVSA-N 0 1 242.200 2.463 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CCN1CCCCF ZINC000351812996 136254469 /nfs/dbraw/zinc/25/44/69/136254469.db2.gz FYSPGUOOLKKVTG-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN COC1CC(N(C)Cc2scnc2C)C1 ZINC000348699060 536718925 /nfs/dbraw/zinc/71/89/25/536718925.db2.gz AFIXCOICCVJYNQ-UHFFFAOYSA-N 0 1 226.345 2.061 20 0 BEADMN CC[C@@]1(C)CCN(CN2CC(C)(C)OC2=O)C1 ZINC000494058694 529527742 /nfs/dbraw/zinc/52/77/42/529527742.db2.gz LICJGPDCNNXNEP-ZDUSSCGKSA-N 0 1 240.347 2.297 20 0 BEADMN CC[C@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000634729924 344019078 /nfs/dbraw/zinc/01/90/78/344019078.db2.gz CFGXPNHVZXWYMV-RYUDHWBXSA-N 0 1 229.270 2.197 20 0 BEADMN COc1ccc(CN2N=C(C)[C@H](C)C2=O)cc1 ZINC000634597187 342973406 /nfs/dbraw/zinc/97/34/06/342973406.db2.gz DBVTXADGYNPRJB-VIFPVBQESA-N 0 1 232.283 2.049 20 0 BEADMN COc1ccc(Cn2[nH]c(C)c(C)c2=O)cc1 ZINC000634597187 342973409 /nfs/dbraw/zinc/97/34/09/342973409.db2.gz DBVTXADGYNPRJB-VIFPVBQESA-N 0 1 232.283 2.049 20 0 BEADMN C[C@@H](C1CC1)N1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634597498 342974381 /nfs/dbraw/zinc/97/43/81/342974381.db2.gz LXNJGLAJQYUDKM-ZANVPECISA-N 0 1 240.306 2.204 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c(C2(C)CC2)cc1=O ZINC000634597741 342975194 /nfs/dbraw/zinc/97/51/94/342975194.db2.gz SSOGCWSCCXDADW-QMMMGPOBSA-N 0 1 206.289 2.173 20 0 BEADMN C[C@H](C1CC1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634597726 342975355 /nfs/dbraw/zinc/97/53/55/342975355.db2.gz SFOSUXQRRGVYDD-MRTMQBJTSA-N 0 1 206.289 2.029 20 0 BEADMN C[C@H](C1CC1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634597727 342975368 /nfs/dbraw/zinc/97/53/68/342975368.db2.gz SFOSUXQRRGVYDD-NQMVMOMDSA-N 0 1 206.289 2.029 20 0 BEADMN C[C@H](F)CCN1CCN(Cc2ccco2)CC1 ZINC000351851674 136257655 /nfs/dbraw/zinc/25/76/55/136257655.db2.gz JMFGRLZBIARLBZ-LBPRGKRZSA-N 0 1 240.322 2.145 20 0 BEADMN CCN(C#N)CCN(C)CCc1ccc(F)cc1 ZINC000602765606 349721860 /nfs/dbraw/zinc/72/18/60/349721860.db2.gz XGWSXBSHDGVQHV-UHFFFAOYSA-N 0 1 249.333 2.103 20 0 BEADMN Cc1ccnc(CN(C)[C@H](C)C2CCC2)n1 ZINC000357046896 187213382 /nfs/dbraw/zinc/21/33/82/187213382.db2.gz YJBYLNGPULODFR-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356868802 187213775 /nfs/dbraw/zinc/21/37/75/187213775.db2.gz ZEOUAMBSSPGKQI-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC1=NN(c2ccc(C)nn2)C(=O)[C@H]1CC ZINC000634600859 342993969 /nfs/dbraw/zinc/99/39/69/342993969.db2.gz VQVQYEYWCGBTFL-JTQLQIEISA-N 0 1 246.314 2.314 20 0 BEADMN COC(=O)c1csc(CNCC(C)(C)F)c1 ZINC000602728308 349716607 /nfs/dbraw/zinc/71/66/07/349716607.db2.gz ZIRNCVIKBPNRHF-UHFFFAOYSA-N 0 1 245.319 2.372 20 0 BEADMN Cc1[nH]n([C@@H]2CCC[C@H](C)C2)c(=O)c1C ZINC000634599441 342988183 /nfs/dbraw/zinc/98/81/83/342988183.db2.gz IOQGOGMFICBSGV-IQJOONFLSA-N 0 1 208.305 2.419 20 0 BEADMN CC1=NN(Cc2ccc(F)cc2F)C(=O)[C@@H]1C ZINC000634601713 342995198 /nfs/dbraw/zinc/99/51/98/342995198.db2.gz UWCTXQRJZLHXJP-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2ccc(F)cc2F)c(=O)c1C ZINC000634601713 342995199 /nfs/dbraw/zinc/99/51/99/342995199.db2.gz UWCTXQRJZLHXJP-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN CCN(C#N)CCN1CCC[C@H]1c1ccncc1 ZINC000602796075 349737684 /nfs/dbraw/zinc/73/76/84/349737684.db2.gz CXFMYSYAAWWXKN-AWEZNQCLSA-N 0 1 244.342 2.021 20 0 BEADMN C[C@@H]1CCC2=NN(c3ncccc3F)C(=O)[C@H]2C1 ZINC000634605202 342999029 /nfs/dbraw/zinc/99/90/29/342999029.db2.gz DHGKAJUTAGUOLW-BDAKNGLRSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCC2=NN(c3ncccc3F)C(=O)[C@H]2C1 ZINC000634605204 342999179 /nfs/dbraw/zinc/99/91/79/342999179.db2.gz DHGKAJUTAGUOLW-IUCAKERBSA-N 0 1 247.273 2.360 20 0 BEADMN CCC(CC)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634605746 343000432 /nfs/dbraw/zinc/00/04/32/343000432.db2.gz VQUNNOBLZSDWJG-SCZZXKLOSA-N 0 1 208.305 2.419 20 0 BEADMN CCC(F)(F)CN[C@H](CCO)C(C)(C)C ZINC000602804022 349742843 /nfs/dbraw/zinc/74/28/43/349742843.db2.gz GFWLRJWQTSFPAI-SECBINFHSA-N 0 1 223.307 2.418 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000048445852 343000719 /nfs/dbraw/zinc/00/07/19/343000719.db2.gz NATQXYNJVPTYGC-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN C[N@@H+](C/C=C\c1ccccc1)C(C)(C)C(=O)[O-] ZINC000211785640 343001028 /nfs/dbraw/zinc/00/10/28/343001028.db2.gz NSUSPZSZMIAUKS-YFHOEESVSA-N 0 1 233.311 2.495 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634605905 343001066 /nfs/dbraw/zinc/00/10/66/343001066.db2.gz BCMMKJKFRXADFQ-WCBMZHEXSA-N 0 1 229.283 2.139 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CCCSCC2)n1 ZINC000668050397 488194885 /nfs/dbraw/zinc/19/48/85/488194885.db2.gz PQJPZSHWBQLRIL-WPRPVWTQSA-N 0 1 241.360 2.314 20 0 BEADMN Cc1cnccc1-n1[nH]c(C2(C)CC2)cc1=O ZINC000634606481 343001462 /nfs/dbraw/zinc/00/14/62/343001462.db2.gz UJLLAUYETBJYNT-UHFFFAOYSA-N 0 1 229.283 2.283 20 0 BEADMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1C1CC1 ZINC000634608748 343004473 /nfs/dbraw/zinc/00/44/73/343004473.db2.gz LLQSJFHDRBYVSA-NSHDSACASA-N 0 1 249.701 2.484 20 0 BEADMN Cc1cccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)n1 ZINC000634612765 343009705 /nfs/dbraw/zinc/00/97/05/343009705.db2.gz HTGHEYIQGRQJCW-WCBMZHEXSA-N 0 1 229.283 2.139 20 0 BEADMN CCN(C#N)CCN(Cc1ccccc1)C1CC1 ZINC000602764475 349734780 /nfs/dbraw/zinc/73/47/80/349734780.db2.gz CWANCNFDMHLSPG-UHFFFAOYSA-N 0 1 243.354 2.454 20 0 BEADMN CCN(C#N)CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000602821507 349762326 /nfs/dbraw/zinc/76/23/26/349762326.db2.gz NYRYEGIIXIEQOZ-UWVGGRQHSA-N 0 1 249.280 2.062 20 0 BEADMN CC1(C)CCCC[C@@H]1NCC(F)(F)CN ZINC000562745995 323029772 /nfs/dbraw/zinc/02/97/72/323029772.db2.gz NPUBPQRYSPGSAQ-VIFPVBQESA-N 0 1 220.307 2.139 20 0 BEADMN Cc1[nH]n(-c2ccnc(C)c2)c(=O)c1C1CC1 ZINC000634619042 343017998 /nfs/dbraw/zinc/01/79/98/343017998.db2.gz MVLPMZVWGCHTMY-LBPRGKRZSA-N 0 1 229.283 2.139 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nnc2n1CCCC2 ZINC000335904065 136260364 /nfs/dbraw/zinc/26/03/64/136260364.db2.gz SNBJHLXIQFRZEK-VXGBXAGGSA-N 0 1 248.374 2.377 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1csc(C)n1 ZINC000049948854 343019248 /nfs/dbraw/zinc/01/92/48/343019248.db2.gz JXWAVORZWYBDLW-GHMZBOCLSA-N 0 1 226.345 2.109 20 0 BEADMN CCC1=NN([C@@H]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000634621960 343020557 /nfs/dbraw/zinc/02/05/57/343020557.db2.gz UKPVOXFEWMSZGL-VHSXEESVSA-N 0 1 238.331 2.188 20 0 BEADMN CCc1[nH]n([C@@H]2CCOC(C)(C)C2)c(=O)c1C ZINC000634621960 343020559 /nfs/dbraw/zinc/02/05/59/343020559.db2.gz UKPVOXFEWMSZGL-VHSXEESVSA-N 0 1 238.331 2.188 20 0 BEADMN CCCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000046092949 343021298 /nfs/dbraw/zinc/02/12/98/343021298.db2.gz SVELHORDLRIUKG-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN CCN(C#N)CCN1Cc2ccccc2C[C@@H]1C ZINC000602786345 349750677 /nfs/dbraw/zinc/75/06/77/349750677.db2.gz VYSRDJJTFITPTH-ZDUSSCGKSA-N 0 1 243.354 2.236 20 0 BEADMN CCCCC1=NN(CC(C)(C)CO)C(=O)[C@H]1C ZINC000634626470 343028097 /nfs/dbraw/zinc/02/80/97/343028097.db2.gz FRAJMPNUVLUPBI-JTQLQIEISA-N 0 1 240.347 2.029 20 0 BEADMN CCCCc1[nH]n(CC(C)(C)CO)c(=O)c1C ZINC000634626470 343028098 /nfs/dbraw/zinc/02/80/98/343028098.db2.gz FRAJMPNUVLUPBI-JTQLQIEISA-N 0 1 240.347 2.029 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(CCc2ccccn2)[nH]1 ZINC000634614730 343012064 /nfs/dbraw/zinc/01/20/64/343012064.db2.gz LSLPKRJCBLEVLK-LLVKDONJSA-N 0 1 245.326 2.259 20 0 BEADMN CC(C)c1cc(=O)n([C@H](C)C(F)(F)F)[nH]1 ZINC000634630810 343041153 /nfs/dbraw/zinc/04/11/53/343041153.db2.gz FFQZHYGTNJRLHI-ZCFIWIBFSA-N 0 1 222.210 2.182 20 0 BEADMN CCC1=NN([C@@H](C)C(F)(F)F)C(=O)[C@@H]1C ZINC000634631238 343041404 /nfs/dbraw/zinc/04/14/04/343041404.db2.gz OKKKMVKNOMPKMI-RITPCOANSA-N 0 1 222.210 2.182 20 0 BEADMN CCc1[nH]n([C@@H](C)C(F)(F)F)c(=O)c1C ZINC000634631238 343041406 /nfs/dbraw/zinc/04/14/06/343041406.db2.gz OKKKMVKNOMPKMI-RITPCOANSA-N 0 1 222.210 2.182 20 0 BEADMN C[C@H](N1N=C2[C@H](C)CC[C@@H]2C1=O)C(F)(F)F ZINC000634631009 343041449 /nfs/dbraw/zinc/04/14/49/343041449.db2.gz JISQSMQPWPZWQI-VQVTYTSYSA-N 0 1 234.221 2.182 20 0 BEADMN CCc1nc(CN2CC[C@H](C)C(C)(C)C2)n[nH]1 ZINC000354931134 349776699 /nfs/dbraw/zinc/77/66/99/349776699.db2.gz NGVMHBNHWSPOHS-JTQLQIEISA-N 0 1 236.363 2.235 20 0 BEADMN Cc1nnc(CNC2CC(C)(C)C2)s1 ZINC000306557401 323031713 /nfs/dbraw/zinc/03/17/13/323031713.db2.gz HIXLXTQDRVWJIQ-UHFFFAOYSA-N 0 1 211.334 2.125 20 0 BEADMN C[C@H]1CCC2=NN(c3ccncc3F)C(=O)[C@@H]2C1 ZINC000634634078 343046807 /nfs/dbraw/zinc/04/68/07/343046807.db2.gz NSSGHUBERNZMGD-DTWKUNHWSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3F)c(=O)c2C1 ZINC000634634078 343046809 /nfs/dbraw/zinc/04/68/09/343046809.db2.gz NSSGHUBERNZMGD-DTWKUNHWSA-N 0 1 247.273 2.360 20 0 BEADMN CC(C)c1noc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000176253009 365697808 /nfs/dbraw/zinc/69/78/08/365697808.db2.gz DSOZSLDVKIJTKR-GHMZBOCLSA-N 0 1 235.331 2.425 20 0 BEADMN CC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000247078467 343064726 /nfs/dbraw/zinc/06/47/26/343064726.db2.gz LEXCBRHVKDWNLZ-OLZOCXBDSA-N 0 1 240.391 2.412 20 0 BEADMN C=CCCCCC[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000236433105 343097525 /nfs/dbraw/zinc/09/75/25/343097525.db2.gz DQJKTXQQYXZYBL-LLVKDONJSA-N 0 1 211.305 2.139 20 0 BEADMN C=CCCCCC[N@@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000236441911 343098068 /nfs/dbraw/zinc/09/80/68/343098068.db2.gz VLDPSBGJLYHYLK-LLVKDONJSA-N 0 1 243.372 2.235 20 0 BEADMN COC1CC(c2nc([C@H](N)CC(C)C)no2)C1 ZINC000634555823 362045224 /nfs/dbraw/zinc/04/52/24/362045224.db2.gz WDSHCMGUSPSZIA-UDNWOFFPSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1conc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000634555231 362046642 /nfs/dbraw/zinc/04/66/42/362046642.db2.gz DUVNBUYILQECJG-QMMMGPOBSA-N 0 1 236.275 2.079 20 0 BEADMN C[N@@H+](CC(=O)NCC1CCCCC1)C(C)(C)C ZINC000576871234 365708705 /nfs/dbraw/zinc/70/87/05/365708705.db2.gz FBDCFALJPICTOW-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CN[C@@H](C)c1cn(C/C=C/c2ccccc2)nn1 ZINC000640833415 362061241 /nfs/dbraw/zinc/06/12/41/362061241.db2.gz OMLZSJHMGNYBNM-LZGFCCKTSA-N 0 1 242.326 2.272 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000168343603 136267541 /nfs/dbraw/zinc/26/75/41/136267541.db2.gz HQCWALDYTVAXSE-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000092940513 343148540 /nfs/dbraw/zinc/14/85/40/343148540.db2.gz YMSMEWDMQJJPJV-WCQYABFASA-N 0 1 233.311 2.290 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](C)N1CC(C)C1 ZINC000576884782 365714572 /nfs/dbraw/zinc/71/45/72/365714572.db2.gz FYLIGPVWGYKXHL-JHJVBQTASA-N 0 1 238.375 2.116 20 0 BEADMN Cc1ccc2c(c1)CN(CCCC(=O)N(C)C)C2 ZINC000576885563 365714929 /nfs/dbraw/zinc/71/49/29/365714929.db2.gz WGYLOMVXYVIVGH-UHFFFAOYSA-N 0 1 246.354 2.179 20 0 BEADMN CCCCN(CC)C(=O)CN(CC)C1CC1 ZINC000058575918 136271902 /nfs/dbraw/zinc/27/19/02/136271902.db2.gz GSQWGHLLWJYIFK-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCCCF ZINC000569700889 323037587 /nfs/dbraw/zinc/03/75/87/323037587.db2.gz LKYIKGGGHRFTHH-SNVBAGLBSA-N 0 1 219.300 2.167 20 0 BEADMN Nc1ccc2c(c1)CC[C@H]2NCc1ccccn1 ZINC000094074521 343152501 /nfs/dbraw/zinc/15/25/01/343152501.db2.gz ULJDSEUSUGHCHY-OAHLLOKOSA-N 0 1 239.322 2.441 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)n1 ZINC000576955069 365730606 /nfs/dbraw/zinc/73/06/06/365730606.db2.gz WOQZBWCIOZNZJR-NXEZZACHSA-N 0 1 235.331 2.330 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000097903980 343155669 /nfs/dbraw/zinc/15/56/69/343155669.db2.gz FWLJCSYZUMEUJW-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN CC[C@H]1CCCCCN1Cc1nnc(C)n1C ZINC000150737188 136273545 /nfs/dbraw/zinc/27/35/45/136273545.db2.gz DXQFKICYSGRJGU-LBPRGKRZSA-N 0 1 236.363 2.278 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762907 343157264 /nfs/dbraw/zinc/15/72/64/343157264.db2.gz AKLKYUMWXVWFGY-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN O=C([O-])CCCCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126353700 343169611 /nfs/dbraw/zinc/16/96/11/343169611.db2.gz PYUOVQWZWXJYBD-TXEJJXNPSA-N 0 1 225.332 2.363 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1c(C)cccc1C ZINC000126237904 343169654 /nfs/dbraw/zinc/16/96/54/343169654.db2.gz HCHNYMDLXUYGGJ-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000159986323 343202935 /nfs/dbraw/zinc/20/29/35/343202935.db2.gz HZEYTUDCNFWHKV-AOOOYVTPSA-N 0 1 235.283 2.210 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)CCCCC(=O)[O-] ZINC000167586893 343208921 /nfs/dbraw/zinc/20/89/21/343208921.db2.gz DJDPETOSBIYKIT-JTQLQIEISA-N 0 1 233.377 2.315 20 0 BEADMN CSCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000167580443 343209070 /nfs/dbraw/zinc/20/90/70/343209070.db2.gz ZUXVJVNWYOGWAW-NSHDSACASA-N 0 1 239.340 2.107 20 0 BEADMN CSCC[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000167578204 343209245 /nfs/dbraw/zinc/20/92/45/343209245.db2.gz ZZNLBLGLWHXZRY-UHFFFAOYSA-N 0 1 243.328 2.081 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@H]1C=CCCC1 ZINC000167796746 343209331 /nfs/dbraw/zinc/20/93/31/343209331.db2.gz HSHBNKFPDLIYHM-MNOVXSKESA-N 0 1 211.305 2.280 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(C)c(F)c1 ZINC000046444094 343214526 /nfs/dbraw/zinc/21/45/26/343214526.db2.gz QVGSIORHDXJDNM-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@H](C3CC3)C2)O1 ZINC000334148193 343217086 /nfs/dbraw/zinc/21/70/86/343217086.db2.gz XZEVZGUAHUSXKB-OLZOCXBDSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@H]1C[N@H+](CC2(CC(=O)[O-])CC2)CC[C@@H]1C ZINC000132173646 343187438 /nfs/dbraw/zinc/18/74/38/343187438.db2.gz RBKULNCKJUVYES-QWRGUYRKSA-N 0 1 225.332 2.219 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccs1 ZINC000032012840 343228099 /nfs/dbraw/zinc/22/80/99/343228099.db2.gz FEMFLEVHEAFHDZ-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)c1cc(CC)[nH]n1 ZINC000032064775 343229142 /nfs/dbraw/zinc/22/91/42/343229142.db2.gz HJCPJKRQTYVGHG-SECBINFHSA-N 0 1 223.320 2.233 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])o1)CC1CC1 ZINC000068947355 343254585 /nfs/dbraw/zinc/25/45/85/343254585.db2.gz NLBPCDCBUXNFJE-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN COc1cncc(CN2CC[C@@H](C)C(C)(C)C2)n1 ZINC000625325304 343233135 /nfs/dbraw/zinc/23/31/35/343233135.db2.gz XSUAUYZRDRSBQS-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN Cn1cccc1C(=O)CN1CCCCCCC1 ZINC000035018725 343283292 /nfs/dbraw/zinc/28/32/92/343283292.db2.gz ZYDQZOBCHGJSIY-UHFFFAOYSA-N 0 1 234.343 2.474 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330342 343256308 /nfs/dbraw/zinc/25/63/08/343256308.db2.gz AVVUOFZKVWGDJH-MRVPVSSYSA-N 0 1 211.261 2.208 20 0 BEADMN CCC[C@@H](C)CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000625366560 343260943 /nfs/dbraw/zinc/26/09/43/343260943.db2.gz ZXARZNPJTRGYAG-LLVKDONJSA-N 0 1 236.363 2.379 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)OC2CCC2)CC1 ZINC000496085308 529699135 /nfs/dbraw/zinc/69/91/35/529699135.db2.gz KGXMYIWMPYKAFF-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN CC1(C)C[C@@H]1c1nc(C2(N)CCCC2)no1 ZINC000232871849 136292619 /nfs/dbraw/zinc/29/26/19/136292619.db2.gz QCDZJEPBPYEKHD-MRVPVSSYSA-N 0 1 221.304 2.311 20 0 BEADMN CC(C)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000020544116 187254016 /nfs/dbraw/zinc/25/40/16/187254016.db2.gz WTFVPHCRARVIJO-UHFFFAOYSA-N 0 1 247.342 2.245 20 0 BEADMN C[C@@H](CNCc1csnn1)c1ccccc1 ZINC000036902067 343326954 /nfs/dbraw/zinc/32/69/54/343326954.db2.gz DESRAPRYSWUCRA-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN C[C@H](CCc1ccco1)NCc1csnn1 ZINC000036902089 343327245 /nfs/dbraw/zinc/32/72/45/343327245.db2.gz SJDYFTKYRDNMAG-SECBINFHSA-N 0 1 237.328 2.242 20 0 BEADMN C[C@H](NCCC(F)(F)F)c1cnccn1 ZINC000070025844 343295837 /nfs/dbraw/zinc/29/58/37/343295837.db2.gz QSOYUYLPMAPCNR-ZETCQYMHSA-N 0 1 219.210 2.080 20 0 BEADMN COc1ccc(CN2CC(C3CCC3)C2)cn1 ZINC000348715757 136294222 /nfs/dbraw/zinc/29/42/22/136294222.db2.gz QTYIQNUHUMRVEJ-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN COc1ccsc1CN(C)[C@H]1CCCOC1 ZINC000348714248 136294593 /nfs/dbraw/zinc/29/45/93/136294593.db2.gz MXHJYEOKMKRWFK-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN CCN(CC1CCC1)[C@@H](C)c1nccc(N)n1 ZINC000584060994 343309974 /nfs/dbraw/zinc/30/99/74/343309974.db2.gz SRPWIHJPLAHISZ-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN CCOCCN[C@@H](C)c1nc(C)cs1 ZINC000070634625 343336864 /nfs/dbraw/zinc/33/68/64/343336864.db2.gz GGUXDRRRKSMVGU-VIFPVBQESA-N 0 1 214.334 2.139 20 0 BEADMN Cc1cc(CNCCC(F)(F)F)on1 ZINC000070912859 343339573 /nfs/dbraw/zinc/33/95/73/343339573.db2.gz DNMFOZJYBSWDAO-UHFFFAOYSA-N 0 1 208.183 2.025 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nnc(C)n2C)C1 ZINC000335651948 136305026 /nfs/dbraw/zinc/30/50/26/136305026.db2.gz AWPOOKODEMOQAI-CMPLNLGQSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1noc(C[N@H+](C)[C@H]2CCCC[C@H]2C)n1 ZINC000335673487 136317425 /nfs/dbraw/zinc/31/74/25/136317425.db2.gz KKROGNXQBQVFRJ-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000335673487 136317426 /nfs/dbraw/zinc/31/74/26/136317426.db2.gz KKROGNXQBQVFRJ-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cnc[nH]1 ZINC000335675590 136318403 /nfs/dbraw/zinc/31/84/03/136318403.db2.gz WIAAXURFJYNROE-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN CCC1(CC)CN(CC2(C)CC2)CC[S@@]1=O ZINC000569904595 323044104 /nfs/dbraw/zinc/04/41/04/323044104.db2.gz HKZPUTNPCWFTIT-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1cccc([C@@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000123206015 343396866 /nfs/dbraw/zinc/39/68/66/343396866.db2.gz SEXSQNGVGIXYBT-SNVBAGLBSA-N 0 1 207.273 2.072 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cccc2c[nH]nc21 ZINC000335693088 136325675 /nfs/dbraw/zinc/32/56/75/136325675.db2.gz HXLHPFSUJIQVBY-IUCAKERBSA-N 0 1 229.283 2.186 20 0 BEADMN C[C@H]1CC[S@](=O)CC[N@H+]1CC1CCCCC1 ZINC000335697655 136327350 /nfs/dbraw/zinc/32/73/50/136327350.db2.gz XEQNSITWBDOVHG-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C[C@@H]2CCC[C@H]2C1 ZINC000335679056 136319986 /nfs/dbraw/zinc/31/99/86/136319986.db2.gz LEEPBSUNMXZNSR-QWRGUYRKSA-N 0 1 245.326 2.159 20 0 BEADMN COc1c(O)cccc1CN[C@@H]1C[C@@H]1C(F)F ZINC000349034315 136320197 /nfs/dbraw/zinc/32/01/97/136320197.db2.gz OBLZDNWGLJSMCY-DTWKUNHWSA-N 0 1 243.253 2.144 20 0 BEADMN CC(C)n1ncnc1CN1CCCC12CCC2 ZINC000335727542 136347988 /nfs/dbraw/zinc/34/79/88/136347988.db2.gz HVSHZLBAULYPOQ-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000335731317 136348920 /nfs/dbraw/zinc/34/89/20/136348920.db2.gz OXGOHCHNKFTTRW-GFCCVEGCSA-N 0 1 219.332 2.345 20 0 BEADMN CCC[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000349174970 136330451 /nfs/dbraw/zinc/33/04/51/136330451.db2.gz HONWWYHGIFWXPI-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000349174966 136330764 /nfs/dbraw/zinc/33/07/64/136330764.db2.gz HONWWYHGIFWXPI-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CNC(C)(C)c1cn(CC23CCC(CC2)C3)nn1 ZINC000641086751 362214955 /nfs/dbraw/zinc/21/49/55/362214955.db2.gz QWVGXNPYBLICKS-UHFFFAOYSA-N 0 1 248.374 2.313 20 0 BEADMN C[C@@H](NCC1(O)CCC(C)CC1)c1ccon1 ZINC000349254126 136332917 /nfs/dbraw/zinc/33/29/17/136332917.db2.gz XXTDYWGVJNNOKZ-QWKFWESOSA-N 0 1 238.331 2.266 20 0 BEADMN C[C@H](NCC1(O)CCC(C)CC1)c1ccon1 ZINC000349254125 136333163 /nfs/dbraw/zinc/33/31/63/136333163.db2.gz XXTDYWGVJNNOKZ-AKJDGMEZSA-N 0 1 238.331 2.266 20 0 BEADMN COC(=O)CCN(C)Cc1ccccc1Cl ZINC000042207363 343431309 /nfs/dbraw/zinc/43/13/09/343431309.db2.gz AIJKKXAQANTCKJ-UHFFFAOYSA-N 0 1 241.718 2.335 20 0 BEADMN CCc1nnc(CN2CCCC23CCC3)o1 ZINC000335717550 136339940 /nfs/dbraw/zinc/33/99/40/136339940.db2.gz LOXVMDLLFYMSRX-UHFFFAOYSA-N 0 1 221.304 2.151 20 0 BEADMN C[C@@H]1C[C@H](N(C)C(=O)CC2(C)CC2)CC[N@H+]1C ZINC000335720027 136340888 /nfs/dbraw/zinc/34/08/88/136340888.db2.gz GYLYYGQIJVHRPL-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)Cn1cc(CNC2CC(F)(F)C2)cn1 ZINC000277769763 187339707 /nfs/dbraw/zinc/33/97/07/187339707.db2.gz XXWZKMKGRQDRLK-UHFFFAOYSA-N 0 1 243.301 2.426 20 0 BEADMN CCc1ccsc1C(=O)NCc1cn[nH]c1C ZINC000042411187 343436643 /nfs/dbraw/zinc/43/66/43/343436643.db2.gz KDXUHRLNJQWPNK-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CCc1nc(CN2Cc3ccccc3[C@@H]2C)n[nH]1 ZINC000335854216 136355917 /nfs/dbraw/zinc/35/59/17/136355917.db2.gz SGNJXNUSGBJEKV-JTQLQIEISA-N 0 1 242.326 2.444 20 0 BEADMN CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000350208057 136356632 /nfs/dbraw/zinc/35/66/32/136356632.db2.gz JFVAJORQZINOPI-RYUDHWBXSA-N 0 1 240.391 2.268 20 0 BEADMN Oc1cccc2c1CCC[C@@H]2NCc1c[nH]cn1 ZINC000191659560 136362904 /nfs/dbraw/zinc/36/29/04/136362904.db2.gz GPUKWIOIMXUYBG-ZDUSSCGKSA-N 0 1 243.310 2.283 20 0 BEADMN Cc1ncccc1CN[C@@H](CO)c1ccsc1 ZINC000351605935 136370012 /nfs/dbraw/zinc/37/00/12/136370012.db2.gz SDVDRZDHSCNDHW-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN CNCc1cn(CC/C=C\c2ccccc2)nn1 ZINC000641138006 362234189 /nfs/dbraw/zinc/23/41/89/362234189.db2.gz HYMNKDHEXVRNFR-UITAMQMPSA-N 0 1 242.326 2.101 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC[C@@H](C)CC1 ZINC000577002385 365751197 /nfs/dbraw/zinc/75/11/97/365751197.db2.gz DSQKTXMDVSGAAK-GHMZBOCLSA-N 0 1 234.347 2.072 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC[C@H](C)CC1 ZINC000577002481 365751586 /nfs/dbraw/zinc/75/15/86/365751586.db2.gz DSQKTXMDVSGAAK-WDEREUQCSA-N 0 1 234.347 2.072 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000082717650 343461389 /nfs/dbraw/zinc/46/13/89/343461389.db2.gz SKTVCJAZYRPEPK-SECBINFHSA-N 0 1 225.263 2.293 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000044693172 343512199 /nfs/dbraw/zinc/51/21/99/343512199.db2.gz RULIGFVTFZDUCV-NWDGAFQWSA-N 0 1 224.304 2.030 20 0 BEADMN CCCN(C(=O)[C@H]1CCc2[nH]cnc2C1)C(C)C ZINC000616695812 343541345 /nfs/dbraw/zinc/54/13/45/343541345.db2.gz LELFCLRMNLKYQR-NSHDSACASA-N 0 1 249.358 2.162 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(F)c(C)c1 ZINC000070940245 343574575 /nfs/dbraw/zinc/57/45/75/343574575.db2.gz IEICSWPEOREBHN-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CC=CCC1 ZINC000047861626 343566819 /nfs/dbraw/zinc/56/68/19/343566819.db2.gz VKMGOXGDGJQXHJ-LBPRGKRZSA-N 0 1 247.342 2.123 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCC2)[C@@H](C(=O)[O-])C1 ZINC000398735036 488223186 /nfs/dbraw/zinc/22/31/86/488223186.db2.gz NVRJTVIKRPUKTF-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCCCC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000345971604 534943677 /nfs/dbraw/zinc/94/36/77/534943677.db2.gz WCBCEBKUSJANDC-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN C[C@@H]1C[C@H](Sc2nc(C3CC3)n[nH]2)CCO1 ZINC000570175788 323052091 /nfs/dbraw/zinc/05/20/91/323052091.db2.gz GPXQEHXUWVNWJI-VXNVDRBHSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@@H]1C[C@H](Sc2n[nH]c(C3CC3)n2)CCO1 ZINC000570175788 323052092 /nfs/dbraw/zinc/05/20/92/323052092.db2.gz GPXQEHXUWVNWJI-VXNVDRBHSA-N 0 1 239.344 2.342 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000280503000 187342061 /nfs/dbraw/zinc/34/20/61/187342061.db2.gz NASMUEYUARSNBG-LLVKDONJSA-N 0 1 248.374 2.317 20 0 BEADMN C[C@@H](NC(C)(C)C(F)F)[C@H]1CCCOC1 ZINC000390000156 537787628 /nfs/dbraw/zinc/78/76/28/537787628.db2.gz SHPYMHRKJKFJJV-BDAKNGLRSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@@H]2C)o1 ZINC000192627500 365773143 /nfs/dbraw/zinc/77/31/43/365773143.db2.gz YUTJVLIQRHFXCQ-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccc(F)cn2)C1 ZINC000279257627 187342193 /nfs/dbraw/zinc/34/21/93/187342193.db2.gz HUXBBNGZBNADRE-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)[C@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000366598374 187343185 /nfs/dbraw/zinc/34/31/85/187343185.db2.gz BVXVWYFRTPSHMY-GHMZBOCLSA-N 0 1 240.372 2.297 20 0 BEADMN CC(C)[C@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000366598374 187343187 /nfs/dbraw/zinc/34/31/87/187343187.db2.gz BVXVWYFRTPSHMY-GHMZBOCLSA-N 0 1 240.372 2.297 20 0 BEADMN CCc1nc(CN[C@H](CO)CC(C)C)cs1 ZINC000049592656 343604012 /nfs/dbraw/zinc/60/40/12/343604012.db2.gz CIOYFKWDEQQOSO-JTQLQIEISA-N 0 1 242.388 2.202 20 0 BEADMN CC/C=C\CC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696891 343635036 /nfs/dbraw/zinc/63/50/36/343635036.db2.gz RLMJESOKQFSRSV-ARJAWSKDSA-N 0 1 223.316 2.424 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC(C)(F)F)CC(=O)[O-] ZINC000570287167 323054719 /nfs/dbraw/zinc/05/47/19/323054719.db2.gz VNBNRNKHNSGOCF-MRVPVSSYSA-N 0 1 223.263 2.217 20 0 BEADMN CCOC(=O)CN1CCC(CC)(CC)C1 ZINC000087256655 343642481 /nfs/dbraw/zinc/64/24/81/343642481.db2.gz ZCPXWGONQNNREC-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN Cc1csc(CNC[C@]2(C)CCCO2)n1 ZINC000087376460 343646688 /nfs/dbraw/zinc/64/66/88/343646688.db2.gz UBCDLTPESXTXOS-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN CC[C@H](COC)NCc1nc(C)c(C)s1 ZINC000087376089 343646831 /nfs/dbraw/zinc/64/68/31/343646831.db2.gz QSFUPRLGDURFEB-SNVBAGLBSA-N 0 1 228.361 2.275 20 0 BEADMN C[C@@H]1CCC[C@@H](CCN2CCn3nncc3C2)C1 ZINC000580580246 365789978 /nfs/dbraw/zinc/78/99/78/365789978.db2.gz DUVYQVQRMIRPPP-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CC1CC=CC1 ZINC000634696431 343629863 /nfs/dbraw/zinc/62/98/63/343629863.db2.gz XQMPGBUQGCHHFD-UHFFFAOYSA-N 0 1 221.300 2.034 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CCCC(C)(C)C1 ZINC000602949702 349819852 /nfs/dbraw/zinc/81/98/52/349819852.db2.gz AFCKTLYFLJOPBZ-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1ccc(F)cc1 ZINC000634696786 343634169 /nfs/dbraw/zinc/63/41/69/343634169.db2.gz NHBYXTODHSLSGY-UHFFFAOYSA-N 0 1 249.285 2.407 20 0 BEADMN CCN(Cc1nnc(C)o1)C1CCCC1 ZINC000047965525 343676103 /nfs/dbraw/zinc/67/61/03/343676103.db2.gz JWCXYAAETRCIAJ-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN Cc1ccc(CCNCc2cscn2)o1 ZINC000379949903 343659517 /nfs/dbraw/zinc/65/95/17/343659517.db2.gz SOWUGDAONPPXJW-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN Fc1cccc(OCCN2CCSCC2)c1 ZINC000047993792 343690775 /nfs/dbraw/zinc/69/07/75/343690775.db2.gz RBSQEPZXYSHBHU-UHFFFAOYSA-N 0 1 241.331 2.253 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2ccccc2)n1 ZINC000048687031 187269190 /nfs/dbraw/zinc/26/91/90/187269190.db2.gz NGENWHOVHHYUHD-JTQLQIEISA-N 0 1 217.272 2.392 20 0 BEADMN O=C(N[C@H]1CCCC12CCCCC2)c1cnn[nH]1 ZINC000312972194 343694899 /nfs/dbraw/zinc/69/48/99/343694899.db2.gz NPXJOOSYKBELQI-NSHDSACASA-N 0 1 248.330 2.038 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CO[C@@H](C)C2)cs1 ZINC000402121473 349849956 /nfs/dbraw/zinc/84/99/56/349849956.db2.gz GVRMQKDRPGJLNA-NRPADANISA-N 0 1 226.345 2.280 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C)C[C@H](C)C2)o1 ZINC000127647097 343738927 /nfs/dbraw/zinc/73/89/27/343738927.db2.gz KHXCAHPISJCNDM-ZJUUUORDSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)OCC1(C)C ZINC000678269910 488232179 /nfs/dbraw/zinc/23/21/79/488232179.db2.gz NUXOCYWISPUPKP-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ncccc1[O-] ZINC000570365320 323057499 /nfs/dbraw/zinc/05/74/99/323057499.db2.gz HJAMWXWHPANCSR-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000570365320 323057500 /nfs/dbraw/zinc/05/75/00/323057500.db2.gz HJAMWXWHPANCSR-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)N(C)c1ccc(CN[C@H](C)CF)cn1 ZINC000288569006 187347081 /nfs/dbraw/zinc/34/70/81/187347081.db2.gz ZLGZADQMAWYJQF-LLVKDONJSA-N 0 1 239.338 2.374 20 0 BEADMN CC(C)N(C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000127521517 343726382 /nfs/dbraw/zinc/72/63/82/343726382.db2.gz GOCOWWKLLWLTPC-GFCCVEGCSA-N 0 1 246.354 2.477 20 0 BEADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1ccncc1 ZINC000292643611 187348890 /nfs/dbraw/zinc/34/88/90/187348890.db2.gz BUHODCSVAZCFSJ-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000003750164 343771844 /nfs/dbraw/zinc/77/18/44/343771844.db2.gz FIVHGQFGBVYCML-SNVBAGLBSA-N 0 1 239.340 2.353 20 0 BEADMN CC[C@H](CSC)[N@H+](C)Cc1ncccc1[O-] ZINC000584224022 343777290 /nfs/dbraw/zinc/77/72/90/343777290.db2.gz CSABHIRPCSJXON-SNVBAGLBSA-N 0 1 240.372 2.361 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)Cc1ncccc1[O-] ZINC000584224022 343777291 /nfs/dbraw/zinc/77/72/91/343777291.db2.gz CSABHIRPCSJXON-SNVBAGLBSA-N 0 1 240.372 2.361 20 0 BEADMN CC(=O)[C@H](C)SCc1n[nH]c(C(C)C)n1 ZINC000291707512 187348364 /nfs/dbraw/zinc/34/83/64/187348364.db2.gz PPSDABCKOKJGJS-QMMMGPOBSA-N 0 1 227.333 2.139 20 0 BEADMN CC(C)C[N@H+](Cc1ncccc1[O-])C1CC1 ZINC000584140064 343764544 /nfs/dbraw/zinc/76/45/44/343764544.db2.gz OZGAEFQVUNASDT-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)C[N@@H+](Cc1ncccc1[O-])C1CC1 ZINC000584140064 343764546 /nfs/dbraw/zinc/76/45/46/343764546.db2.gz OZGAEFQVUNASDT-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)(C)C1CCC(N2CC(O)C2)CC1 ZINC000107213432 343785483 /nfs/dbraw/zinc/78/54/83/343785483.db2.gz VCXKXVVELCBKFD-UHFFFAOYSA-N 0 1 211.349 2.268 20 0 BEADMN Cc1cnc(CN[C@H](C)C(C)(C)C)nc1 ZINC000309161049 346973451 /nfs/dbraw/zinc/97/34/51/346973451.db2.gz ZAPFHMVMOICUBS-SNVBAGLBSA-N 0 1 207.321 2.309 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000226445619 343793742 /nfs/dbraw/zinc/79/37/42/343793742.db2.gz ZPHIYFCOLKZQEB-DGCLKSJQSA-N 0 1 233.311 2.197 20 0 BEADMN C=Cn1cc(CNc2ccc3c(n2)CCC3)cn1 ZINC000294991799 187351737 /nfs/dbraw/zinc/35/17/37/187351737.db2.gz ZCFLLOAYOQMVDH-UHFFFAOYSA-N 0 1 240.310 2.479 20 0 BEADMN C[C@@H](C(=O)N(C)[C@H]1CCc2ccccc21)N(C)C ZINC000145793569 537823913 /nfs/dbraw/zinc/82/39/13/537823913.db2.gz BSWPWSUWXFKKJC-FZMZJTMJSA-N 0 1 246.354 2.082 20 0 BEADMN CC1(C)COC[C@@H]1NCc1ccc(Cl)o1 ZINC000313070276 343831673 /nfs/dbraw/zinc/83/16/73/343831673.db2.gz UOVYZQJCHFQKBM-VIFPVBQESA-N 0 1 229.707 2.448 20 0 BEADMN CN(CCF)CCCN(C)C(=O)OC(C)(C)C ZINC000496679905 529900295 /nfs/dbraw/zinc/90/02/95/529900295.db2.gz NJDICNZNMXQUPR-UHFFFAOYSA-N 0 1 248.342 2.145 20 0 BEADMN CSCCN(C)Cc1cnn2ccccc12 ZINC000179786740 346997047 /nfs/dbraw/zinc/99/70/47/346997047.db2.gz QWTBPNOHGVIKBT-UHFFFAOYSA-N 0 1 235.356 2.129 20 0 BEADMN CC(C)N(Cc1cccs1)C(=O)CN(C)C ZINC000298694374 187352737 /nfs/dbraw/zinc/35/27/37/187352737.db2.gz GTUUFHIRIYLOLC-UHFFFAOYSA-N 0 1 240.372 2.047 20 0 BEADMN CC[C@@H](F)C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000570529728 323062402 /nfs/dbraw/zinc/06/24/02/323062402.db2.gz ZMECUTPGZJMOMK-SNVBAGLBSA-N 0 1 231.311 2.454 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)NCC(C)(C)C ZINC000625473348 343873215 /nfs/dbraw/zinc/87/32/15/343873215.db2.gz UHHBQZWWBJUQBI-GRYCIOLGSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1ncc[nH]1 ZINC000336729812 537834420 /nfs/dbraw/zinc/83/44/20/537834420.db2.gz DFXGQLFXYYYYBU-JTQLQIEISA-N 0 1 223.320 2.020 20 0 BEADMN CN1CCC[C@H]1C(=O)NCCCC(C)(C)C ZINC000126379930 343894857 /nfs/dbraw/zinc/89/48/57/343894857.db2.gz BZAMBYCJRMYSCG-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN COc1cncc(CN(C)CCC(C)(C)C)n1 ZINC000625505804 343898928 /nfs/dbraw/zinc/89/89/28/343898928.db2.gz FBXQTWQDFJSXSI-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1C[C@H]1C ZINC000678346507 488244011 /nfs/dbraw/zinc/24/40/11/488244011.db2.gz KRIAWWKRKRHASG-INEUFUBQSA-N 0 1 229.230 2.250 20 0 BEADMN CCC[C@H](C)CCCN1CCn2nncc2C1 ZINC000625518641 343916157 /nfs/dbraw/zinc/91/61/57/343916157.db2.gz YGBYCSASTCOSAI-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN C[C@@H]1OCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000090460439 343932118 /nfs/dbraw/zinc/93/21/18/343932118.db2.gz SYMWOMVNCIOAMH-WPRPVWTQSA-N 0 1 238.356 2.288 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628118661 343968630 /nfs/dbraw/zinc/96/86/30/343968630.db2.gz CIZMHQUWCVOUIO-LLVKDONJSA-N 0 1 207.321 2.483 20 0 BEADMN CN(CCO)Cc1csc(C(F)(F)F)c1 ZINC000628118927 343969232 /nfs/dbraw/zinc/96/92/32/343969232.db2.gz RAUXHDVBEKOKOZ-UHFFFAOYSA-N 0 1 239.262 2.191 20 0 BEADMN CN(Cc1cccc(F)c1F)CC1(C)COC1 ZINC000625787500 344074456 /nfs/dbraw/zinc/07/44/56/344074456.db2.gz ZFVARFGVKKGZSN-UHFFFAOYSA-N 0 1 241.281 2.433 20 0 BEADMN CCN(C)[C@H](C(=O)N1CC[C@H]1C)c1ccccc1 ZINC000641245174 362309618 /nfs/dbraw/zinc/30/96/18/362309618.db2.gz WZAHYIMVTZXTAW-OCCSQVGLSA-N 0 1 246.354 2.300 20 0 BEADMN Oc1ccc2c(c1)CN(CC[C@H]1CCOC1)C2 ZINC000625727787 344059413 /nfs/dbraw/zinc/05/94/13/344059413.db2.gz LWAQXTQAKOYHKL-NSHDSACASA-N 0 1 233.311 2.134 20 0 BEADMN C/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC000395067754 344060106 /nfs/dbraw/zinc/06/01/06/344060106.db2.gz QMOAZDMAAMGYJT-NSCUHMNNSA-N 0 1 212.274 2.322 20 0 BEADMN CCC[C@@H](CNCc1oc(CC)nc1C)OC ZINC000395177113 362329150 /nfs/dbraw/zinc/32/91/50/362329150.db2.gz TXIWDJDPVYIRSI-NSHDSACASA-N 0 1 240.347 2.450 20 0 BEADMN CC[C@H](C)NC(=O)CN1CCCC(F)(F)CC1 ZINC000625764230 344067926 /nfs/dbraw/zinc/06/79/26/344067926.db2.gz CDOPFKAXCRURDD-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CC[C@@H](C2)S3)o1 ZINC000625774745 344071219 /nfs/dbraw/zinc/07/12/19/344071219.db2.gz SREMTRABKGQERK-MNOVXSKESA-N 0 1 238.356 2.453 20 0 BEADMN C[C@@H]1CCCCN(CC(=O)Nc2ccncc2)C1 ZINC000187961055 259372508 /nfs/dbraw/zinc/37/25/08/259372508.db2.gz DOUWXLFYXYDCFE-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN c1c(CN(C2CC2)C2CC2)nc2ccccn12 ZINC000625836615 344090154 /nfs/dbraw/zinc/09/01/54/344090154.db2.gz DHAVUJLATBRELP-UHFFFAOYSA-N 0 1 227.311 2.461 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299895472 344119180 /nfs/dbraw/zinc/11/91/80/344119180.db2.gz HQJUHXMQIXKWGY-NNYUYHANSA-N 0 1 225.332 2.218 20 0 BEADMN CN(Cc1cnc(C2CC2)o1)[C@@H]1CCSC1 ZINC000628131800 344159333 /nfs/dbraw/zinc/15/93/33/344159333.db2.gz KETLUMATGXSSQR-SNVBAGLBSA-N 0 1 238.356 2.489 20 0 BEADMN CC[C@H](O)CCCN[C@H](C)c1nccs1 ZINC000130173260 344218373 /nfs/dbraw/zinc/21/83/73/344218373.db2.gz VWCYGWLPJSZGJS-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H](C[NH+](C)C)NCc1cc(Cl)cs1 ZINC000130333113 344220769 /nfs/dbraw/zinc/22/07/69/344220769.db2.gz IPVOLIBTPWLXMX-MRVPVSSYSA-N 0 1 232.780 2.441 20 0 BEADMN CCc1cnc(CN[C@@H](CC)COC)s1 ZINC000130646188 344223031 /nfs/dbraw/zinc/22/30/31/344223031.db2.gz SZSJLLWLWFVLCH-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN Cc1ccncc1CNCc1cncs1 ZINC000131446620 344231841 /nfs/dbraw/zinc/23/18/41/344231841.db2.gz LBOIPPVGLAHLBD-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1[nH]ncc1CNc1nc(C(C)C)ns1 ZINC000083653655 344181516 /nfs/dbraw/zinc/18/15/16/344181516.db2.gz XMGLZJKTDZARCM-UHFFFAOYSA-N 0 1 237.332 2.305 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(C)(C)CC(C)C ZINC000084586786 344195165 /nfs/dbraw/zinc/19/51/65/344195165.db2.gz UNZQXMLNXQKZMX-UHFFFAOYSA-N 0 1 237.347 2.407 20 0 BEADMN CCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000128531003 344206447 /nfs/dbraw/zinc/20/64/47/344206447.db2.gz LCVUSKUWCMAXAZ-UHFFFAOYSA-N 0 1 219.284 2.153 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000098103729 344282243 /nfs/dbraw/zinc/28/22/43/344282243.db2.gz CYFFLWBLHWLBQJ-NXEZZACHSA-N 0 1 249.358 2.453 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)[C@H](C(=O)[O-])C1CC1 ZINC000088795820 344241897 /nfs/dbraw/zinc/24/18/97/344241897.db2.gz BHVUVKUPNGVJOC-LBPRGKRZSA-N 0 1 237.274 2.121 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)[C@@H](C(=O)[O-])C1CC1 ZINC000088795822 344242036 /nfs/dbraw/zinc/24/20/36/344242036.db2.gz BHVUVKUPNGVJOC-GFCCVEGCSA-N 0 1 237.274 2.121 20 0 BEADMN Cc1ccc2nc(-c3cccc(=O)[nH]3)[nH]c2c1 ZINC000027858819 344313145 /nfs/dbraw/zinc/31/31/45/344313145.db2.gz LCKVPUZRHQMJCU-UHFFFAOYSA-N 0 1 225.251 2.227 20 0 BEADMN CSC[C@H]1CCC[N@H+]1CCCCCC(=O)[O-] ZINC000400125553 344326640 /nfs/dbraw/zinc/32/66/40/344326640.db2.gz PIDCLAPVJARICA-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000145283211 344330348 /nfs/dbraw/zinc/33/03/48/344330348.db2.gz KHRXSNLVSQQWFG-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000145283001 344330594 /nfs/dbraw/zinc/33/05/94/344330594.db2.gz KHRXSNLVSQQWFG-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)c1noc(CN[C@H]2CCC[C@@H]2C)n1 ZINC000381257678 344307493 /nfs/dbraw/zinc/30/74/93/344307493.db2.gz RCLODSWYUPPPET-UWVGGRQHSA-N 0 1 223.320 2.471 20 0 BEADMN CC(C)[N@@H+](C/C=C\c1ccccc1)CC(=O)[O-] ZINC000215343938 344437095 /nfs/dbraw/zinc/43/70/95/344437095.db2.gz HBDIMFVROWTRLL-TWGQIWQCSA-N 0 1 233.311 2.495 20 0 BEADMN CC(=O)N1CCN(CCC2CCCCC2)CC1 ZINC000149893304 344384197 /nfs/dbraw/zinc/38/41/97/344384197.db2.gz DEQDLVRXTSWZRT-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000600936724 344399786 /nfs/dbraw/zinc/39/97/86/344399786.db2.gz CPCGGNDYUCPRKV-OLZOCXBDSA-N 0 1 240.391 2.412 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccsc1 ZINC000605526250 344405400 /nfs/dbraw/zinc/40/54/00/344405400.db2.gz PZXXDRFFAGOGRK-UHFFFAOYSA-N 0 1 221.285 2.286 20 0 BEADMN Cn1cc(CNCc2ccc(Cl)s2)cn1 ZINC000041054711 344416361 /nfs/dbraw/zinc/41/63/61/344416361.db2.gz ADMWJRPNQRQEMX-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CCN1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000104133931 344454090 /nfs/dbraw/zinc/45/40/90/344454090.db2.gz SZNYTZUMXXXEJC-ZDUSSCGKSA-N 0 1 232.327 2.500 20 0 BEADMN CCC1CCC(N(C)CC(=O)OC)CC1 ZINC000042516224 344456499 /nfs/dbraw/zinc/45/64/99/344456499.db2.gz RUVXQVGCXPIZOI-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CC[C@@H]1C(=O)[O-] ZINC000402228509 344470733 /nfs/dbraw/zinc/47/07/33/344470733.db2.gz WSEZJLIJGNNNDS-AGIUHOORSA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CC[C@H]1C(=O)[O-] ZINC000402228512 344470736 /nfs/dbraw/zinc/47/07/36/344470736.db2.gz WSEZJLIJGNNNDS-FRRDWIJNSA-N 0 1 237.343 2.385 20 0 BEADMN CC[N@@H+](Cc1cccc(C)c1)[C@@H](C)C(=O)[O-] ZINC000381231778 344486405 /nfs/dbraw/zinc/48/64/05/344486405.db2.gz LBUKWLAPFYSUEM-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN CC[N@@H+](Cc1cccc(C)c1)[C@H](C)C(=O)[O-] ZINC000381231764 344486512 /nfs/dbraw/zinc/48/65/12/344486512.db2.gz LBUKWLAPFYSUEM-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3nn[nH]c3c2)[C@H]1C ZINC000381278087 344514365 /nfs/dbraw/zinc/51/43/65/344514365.db2.gz XLJOTWUMRDDMBU-FYBVGQRMSA-N 0 1 216.288 2.414 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3n[nH]nc3c2)[C@H]1C ZINC000381278087 344514368 /nfs/dbraw/zinc/51/43/68/344514368.db2.gz XLJOTWUMRDDMBU-FYBVGQRMSA-N 0 1 216.288 2.414 20 0 BEADMN CCCCN([C@@H](C)C(=O)OCC)C1CC1 ZINC000043638757 344528811 /nfs/dbraw/zinc/52/88/11/344528811.db2.gz AARVPMVPSXQRHT-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CCN1C(=O)N=NC1SCC(F)(F)CC ZINC000641419284 362405738 /nfs/dbraw/zinc/40/57/38/362405738.db2.gz KUCXPBKERGTPIR-UHFFFAOYSA-N 0 1 237.275 2.141 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)C(F)F ZINC001638788661 1172043912 /nfs/dbraw/zinc/04/39/12/1172043912.db2.gz CHCJRKTYRAAORR-VHSXEESVSA-N 0 1 248.317 2.021 20 0 BEADMN c1cc(CSc2nc(C3CC3)n[nH]2)sn1 ZINC000641437733 362419042 /nfs/dbraw/zinc/41/90/42/362419042.db2.gz CNHDUHANZBIHRX-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN c1cc(CSc2n[nH]c(C3CC3)n2)sn1 ZINC000641437733 362419048 /nfs/dbraw/zinc/41/90/48/362419048.db2.gz CNHDUHANZBIHRX-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN CCOC[C@H]1CN(CCC=C(C)C)CCO1 ZINC000625953604 344594370 /nfs/dbraw/zinc/59/43/70/344594370.db2.gz JWCDOHZXWXNXIK-CYBMUJFWSA-N 0 1 227.348 2.080 20 0 BEADMN CCc1cnc(CN[C@@]2(C)CCO[C@@H]2C)s1 ZINC000309402118 347055553 /nfs/dbraw/zinc/05/55/53/347055553.db2.gz AGPXNLUUNKJIRP-SKDRFNHKSA-N 0 1 240.372 2.363 20 0 BEADMN CCN1C[C@@H](C)N(c2ccncc2F)C[C@H]1C ZINC000641471057 362438788 /nfs/dbraw/zinc/43/87/88/362438788.db2.gz USXUOMPQHPLUPR-GHMZBOCLSA-N 0 1 237.322 2.140 20 0 BEADMN COC(=O)C1CCN(Cc2cccs2)CC1 ZINC000049137280 344598323 /nfs/dbraw/zinc/59/83/23/344598323.db2.gz ILVODTHYKRHAQY-UHFFFAOYSA-N 0 1 239.340 2.133 20 0 BEADMN COC(=O)CCN1CCc2sccc2[C@@H]1C ZINC000049538412 344651680 /nfs/dbraw/zinc/65/16/80/344651680.db2.gz IVBCOVBYJSSFFT-VIFPVBQESA-N 0 1 239.340 2.230 20 0 BEADMN O=c1ccc([C@@H]2CCC[N@H+]2CC2=CCCC2)n[nH]1 ZINC000625994567 344659501 /nfs/dbraw/zinc/65/95/01/344659501.db2.gz WKNBNZFAQQLUNU-ZDUSSCGKSA-N 0 1 245.326 2.429 20 0 BEADMN CC/C=C/CCN1CCO[C@H](CCF)C1 ZINC000626004931 344666784 /nfs/dbraw/zinc/66/67/84/344666784.db2.gz QYYBSTWLORGXPN-AAOUONPWSA-N 0 1 215.312 2.403 20 0 BEADMN FCC[C@@H]1CN(CC[C@@H]2CCCCO2)CCO1 ZINC000626005199 344667641 /nfs/dbraw/zinc/66/76/41/344667641.db2.gz XSMCGDDIXXWYCF-QWHCGFSZSA-N 0 1 245.338 2.006 20 0 BEADMN CO[C@@H](CC(C)C)CN1CCO[C@H](CCF)C1 ZINC000626005618 344668485 /nfs/dbraw/zinc/66/84/85/344668485.db2.gz GRLWEMWEVYLKGV-OLZOCXBDSA-N 0 1 247.354 2.108 20 0 BEADMN FCC[C@H]1CN(CC2=CCCC2)CCO1 ZINC000626005793 344668547 /nfs/dbraw/zinc/66/85/47/344668547.db2.gz KLIYTCRSPBUTLZ-LBPRGKRZSA-N 0 1 213.296 2.157 20 0 BEADMN CC(C)COCCN1CCc2c(O)cccc2C1 ZINC000626028805 344681836 /nfs/dbraw/zinc/68/18/36/344681836.db2.gz ZDFBWYKAKRVVDG-UHFFFAOYSA-N 0 1 249.354 2.423 20 0 BEADMN COCCCN1Cc2cccc(OC)c2C1 ZINC000626021486 344677082 /nfs/dbraw/zinc/67/70/82/344677082.db2.gz CKQXKRXCHQLWEN-UHFFFAOYSA-N 0 1 221.300 2.047 20 0 BEADMN COc1cccc2c1CN(CC1CC1)C2 ZINC000626022548 344677454 /nfs/dbraw/zinc/67/74/54/344677454.db2.gz YDDQTYFVPCXGQT-UHFFFAOYSA-N 0 1 203.285 2.421 20 0 BEADMN COc1cccc2c1CN(C[C@H](OC)C1CC1)C2 ZINC000626023442 344678033 /nfs/dbraw/zinc/67/80/33/344678033.db2.gz HMCARYRHJOCGKR-HNNXBMFYSA-N 0 1 247.338 2.436 20 0 BEADMN COc1cccc2c1CN(CCC1(O)CCC1)C2 ZINC000626023242 344678112 /nfs/dbraw/zinc/67/81/12/344678112.db2.gz BKCWUXZHDUBNEX-UHFFFAOYSA-N 0 1 247.338 2.316 20 0 BEADMN CC[C@](C)(O)CN1Cc2cccc(OC)c2C1 ZINC000626023086 344678260 /nfs/dbraw/zinc/67/82/60/344678260.db2.gz VPCKKAANKOKTGA-AWEZNQCLSA-N 0 1 235.327 2.172 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000625970777 344629771 /nfs/dbraw/zinc/62/97/71/344629771.db2.gz ZUVVHUZHHRMPGG-UTUOFQBUSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1cnccc1CCN1CCOC[C@@H]1C1CC1 ZINC000574315976 344738655 /nfs/dbraw/zinc/73/86/55/344738655.db2.gz AZFHMEIOGIAWPV-OAHLLOKOSA-N 0 1 246.354 2.043 20 0 BEADMN C[C@]12CCCC[C@H]1CN2Cc1cc[nH]n1 ZINC000626103740 344744141 /nfs/dbraw/zinc/74/41/41/344744141.db2.gz NUIJMZGQAWCEQK-JQWIXIFHSA-N 0 1 205.305 2.174 20 0 BEADMN CC[C@@H]1CCCN(Cc2ncc[nH]2)CC1 ZINC000117344530 344744539 /nfs/dbraw/zinc/74/45/39/344744539.db2.gz ZAVMYYUHLQQCJX-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN CCCCN(CC(=O)OC)[C@@H](C)CC ZINC000049800954 344689034 /nfs/dbraw/zinc/68/90/34/344689034.db2.gz WVBLOPOBGUTHFG-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCC[C@H](CC)CN(C)CC(=O)OC ZINC000050047745 344717165 /nfs/dbraw/zinc/71/71/65/344717165.db2.gz ZJDIVIUYJYMBJG-NSHDSACASA-N 0 1 215.337 2.308 20 0 BEADMN CCCCN(CC(=O)OCC)C(C)C ZINC000050055073 344717699 /nfs/dbraw/zinc/71/76/99/344717699.db2.gz RXEBKCXKGZODRQ-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ncc[nH]1 ZINC000138898699 537859814 /nfs/dbraw/zinc/85/98/14/537859814.db2.gz JEBAWANTLKLRIR-NXEZZACHSA-N 0 1 237.347 2.406 20 0 BEADMN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ncc[nH]1 ZINC000138898770 537858349 /nfs/dbraw/zinc/85/83/49/537858349.db2.gz JEBAWANTLKLRIR-UWVGGRQHSA-N 0 1 237.347 2.406 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCc2ccco2)n1 ZINC000075761067 344791304 /nfs/dbraw/zinc/79/13/04/344791304.db2.gz IQHDOZRXENFVMI-LLVKDONJSA-N 0 1 249.314 2.494 20 0 BEADMN Cc1ccccc1[C@H]1CN(CCCO)[C@H](C)CO1 ZINC000075785164 344791890 /nfs/dbraw/zinc/79/18/90/344791890.db2.gz DCKYUQLEGICKAX-UKRRQHHQSA-N 0 1 249.354 2.139 20 0 BEADMN C[C@@H]1CN(Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC000076114187 344797117 /nfs/dbraw/zinc/79/71/17/344797117.db2.gz LGNHNAQIAMHCCG-NXEZZACHSA-N 0 1 247.298 2.417 20 0 BEADMN COCCN(Cc1nc(C)c[nH]1)C1CCCC1 ZINC000628141557 344806555 /nfs/dbraw/zinc/80/65/55/344806555.db2.gz WIIJHMKQXRCLIU-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN CCCCCN(CC(N)=O)Cc1ccccc1 ZINC000077185590 344810312 /nfs/dbraw/zinc/81/03/12/344810312.db2.gz QDOUIYZAZSVHAA-UHFFFAOYSA-N 0 1 234.343 2.164 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2CCC[C@H]2C)[nH]1 ZINC000187691366 259381192 /nfs/dbraw/zinc/38/11/92/259381192.db2.gz GDKQWOGBMZOYBJ-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2CCC[C@H]2C)n1 ZINC000187691366 259381193 /nfs/dbraw/zinc/38/11/93/259381193.db2.gz GDKQWOGBMZOYBJ-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCCCNC(=O)CNC1(c2ccccc2)CC1 ZINC000077378396 344817661 /nfs/dbraw/zinc/81/76/61/344817661.db2.gz YCITWJIAEIVQTA-UHFFFAOYSA-N 0 1 246.354 2.182 20 0 BEADMN CCNC(=O)CN(C)C[C@@H](C)c1ccc(C)cc1 ZINC000628149170 344835689 /nfs/dbraw/zinc/83/56/89/344835689.db2.gz OXRWLOZZWLPOLG-CYBMUJFWSA-N 0 1 248.370 2.166 20 0 BEADMN C(NCC1CC1)c1nc(C2CCCC2)no1 ZINC000037756597 187293801 /nfs/dbraw/zinc/29/38/01/187293801.db2.gz MPFSYKJWZPSMCY-UHFFFAOYSA-N 0 1 221.304 2.227 20 0 BEADMN CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)nc1 ZINC000684208090 488276932 /nfs/dbraw/zinc/27/69/32/488276932.db2.gz HBAVPFOSJGJGCS-QWRGUYRKSA-N 0 1 220.316 2.463 20 0 BEADMN CCN(Cc1ccccn1)C[C@H]1CCCCO1 ZINC000119821977 344866476 /nfs/dbraw/zinc/86/64/76/344866476.db2.gz BRXDDEXPFMTAKO-CQSZACIVSA-N 0 1 234.343 2.473 20 0 BEADMN COC(=O)[C@H]1C[N@H+](C(C)C)Cc2ccccc21 ZINC000260331184 344870584 /nfs/dbraw/zinc/87/05/84/344870584.db2.gz CKJRIQBEDCKVRY-ZDUSSCGKSA-N 0 1 233.311 2.167 20 0 BEADMN C[C@@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCS1 ZINC000628177140 344905977 /nfs/dbraw/zinc/90/59/77/344905977.db2.gz MWGWDTYWSGPIPL-TUAOUCFPSA-N 0 1 227.373 2.135 20 0 BEADMN CCC[C@@H](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153560699 344905983 /nfs/dbraw/zinc/90/59/83/344905983.db2.gz VFIWHPUUCIJYAX-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@]1(CN2CCc3c[nH]nc3C2)CCCS1 ZINC000628182426 344926231 /nfs/dbraw/zinc/92/62/31/344926231.db2.gz TWMZBJYILZJKNZ-GFCCVEGCSA-N 0 1 237.372 2.054 20 0 BEADMN Cc1ccc([C@@H](C)CN(C)Cc2nnc[nH]2)cc1 ZINC000628179446 344915172 /nfs/dbraw/zinc/91/51/72/344915172.db2.gz ADTVJWXFFDVAFL-LBPRGKRZSA-N 0 1 244.342 2.349 20 0 BEADMN CCCNC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000042635118 344941925 /nfs/dbraw/zinc/94/19/25/344941925.db2.gz WZNXGMJCBNDGLL-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1nc(C[N@H+]2CCC3(C2)CCOCC3)[nH]c1C ZINC000628188673 344943112 /nfs/dbraw/zinc/94/31/12/344943112.db2.gz GWETVBYALOZVQY-UHFFFAOYSA-N 0 1 249.358 2.029 20 0 BEADMN Cc1nc(CN2CCC3(C2)CCOCC3)[nH]c1C ZINC000628188673 344943114 /nfs/dbraw/zinc/94/31/14/344943114.db2.gz GWETVBYALOZVQY-UHFFFAOYSA-N 0 1 249.358 2.029 20 0 BEADMN COC(C)(C)CN(C)Cc1cnc(C2CC2)o1 ZINC000628190690 344944479 /nfs/dbraw/zinc/94/44/79/344944479.db2.gz NCUNPBMQKGYIDC-UHFFFAOYSA-N 0 1 238.331 2.409 20 0 BEADMN CC[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)C ZINC000122858812 344978063 /nfs/dbraw/zinc/97/80/63/344978063.db2.gz YWANAXQZXGXGQQ-ZDUSSCGKSA-N 0 1 234.343 2.158 20 0 BEADMN CC[C@@H](c1ccccc1)N(C)CC(=O)N(C)C ZINC000122858812 344978066 /nfs/dbraw/zinc/97/80/66/344978066.db2.gz YWANAXQZXGXGQQ-ZDUSSCGKSA-N 0 1 234.343 2.158 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000309791948 323082715 /nfs/dbraw/zinc/08/27/15/323082715.db2.gz UNZCOPGGIUJUQB-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN C[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)[O-] ZINC000044293596 345013703 /nfs/dbraw/zinc/01/37/03/345013703.db2.gz LNYMLZSSEMLPDX-MRVPVSSYSA-N 0 1 225.313 2.142 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)N[C@H]3CC3(C)C)c2C1 ZINC001638954598 1172057470 /nfs/dbraw/zinc/05/74/70/1172057470.db2.gz SVQXUHRATVLWKZ-KCJUWKMLSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@H]1CCCN1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000154519956 345040459 /nfs/dbraw/zinc/04/04/59/345040459.db2.gz PLJQUYMMQCIBJS-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1OCCN(Cc2ccccc2N(C)C)[C@H]1C ZINC000156055022 345121971 /nfs/dbraw/zinc/12/19/71/345121971.db2.gz OHEOHXHKWXGOBY-QWHCGFSZSA-N 0 1 248.370 2.362 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050924610 345094610 /nfs/dbraw/zinc/09/46/10/345094610.db2.gz MIRIZCKSHAUXDP-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN COc1ccc(CCN2CCO[C@@H](C)[C@H]2C)cc1 ZINC000155993459 187301037 /nfs/dbraw/zinc/30/10/37/187301037.db2.gz XZXXEEBTEQGRLZ-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN CN(CCCNCc1ccon1)c1ccccc1 ZINC000634950384 345127602 /nfs/dbraw/zinc/12/76/02/345127602.db2.gz QHZHIHZSKJCHDD-UHFFFAOYSA-N 0 1 245.326 2.291 20 0 BEADMN COc1cccc(CCNCc2ccon2)c1 ZINC000634952858 345128592 /nfs/dbraw/zinc/12/85/92/345128592.db2.gz KYHDYDJRLATAJQ-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN Fc1cc(F)cc(CCNCc2ccon2)c1 ZINC000634957878 345131946 /nfs/dbraw/zinc/13/19/46/345131946.db2.gz ZVBCVXDDIFATLU-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN c1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)no1 ZINC000634964142 345137842 /nfs/dbraw/zinc/13/78/42/345137842.db2.gz PBTICDHLQNFUNN-GXTWGEPZSA-N 0 1 228.295 2.395 20 0 BEADMN FCCCNCc1nc2cc(F)ccc2o1 ZINC000634969764 345144430 /nfs/dbraw/zinc/14/44/30/345144430.db2.gz XVOVLUIYBIVAPY-UHFFFAOYSA-N 0 1 226.226 2.416 20 0 BEADMN CCOCCC1(CNCc2ccon2)CCC1 ZINC000634969290 345146617 /nfs/dbraw/zinc/14/66/17/345146617.db2.gz KNTNJZOSEMODLM-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN c1cc(CNCC2(c3ccccn3)CCC2)no1 ZINC000634980866 345157527 /nfs/dbraw/zinc/15/75/27/345157527.db2.gz PZCNFEYZDOKKAC-UHFFFAOYSA-N 0 1 243.310 2.281 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1ccncn1 ZINC000427633195 345160594 /nfs/dbraw/zinc/16/05/94/345160594.db2.gz GSQZXZDJQJQJEF-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2cnccc2N)CC1 ZINC000127938470 345225812 /nfs/dbraw/zinc/22/58/12/345225812.db2.gz BEIKYEBCQUBLML-LLVKDONJSA-N 0 1 247.342 2.316 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](C)N(C)C)cc1C ZINC000635061198 345233444 /nfs/dbraw/zinc/23/34/44/345233444.db2.gz FHTNMLKNQMUBEW-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)CC1 ZINC000226989723 345245674 /nfs/dbraw/zinc/24/56/74/345245674.db2.gz JKPMTQYEBOUTLS-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000635016320 345220465 /nfs/dbraw/zinc/22/04/65/345220465.db2.gz LXJGWUOJUXWYBY-QWHCGFSZSA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000635021504 345223598 /nfs/dbraw/zinc/22/35/98/345223598.db2.gz CFXOIDCHUDUSHW-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](C(=O)N(C)[C@@H](C)c1cccs1)N(C)C ZINC000635351434 345319059 /nfs/dbraw/zinc/31/90/59/345319059.db2.gz UQKXZJBFCYQVNU-VHSXEESVSA-N 0 1 240.372 2.218 20 0 BEADMN C[C@H](C(=O)Nc1cccc2c1CCCC2)N(C)C ZINC000635181745 345265593 /nfs/dbraw/zinc/26/55/93/345265593.db2.gz QSQQUQQVMNJKEF-LLVKDONJSA-N 0 1 246.354 2.454 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635187986 345267071 /nfs/dbraw/zinc/26/70/71/345267071.db2.gz GDNXSWQVUWLZHY-IJLUTSLNSA-N 0 1 249.358 2.454 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635188650 345267672 /nfs/dbraw/zinc/26/76/72/345267672.db2.gz KTPKGQXEUOZZML-AAEUAGOBSA-N 0 1 238.375 2.308 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(C)C ZINC000635221517 345276826 /nfs/dbraw/zinc/27/68/26/345276826.db2.gz IZPFYDLQABMIBU-VXGBXAGGSA-N 0 1 228.380 2.269 20 0 BEADMN C[C@H](N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000635224638 345277524 /nfs/dbraw/zinc/27/75/24/345277524.db2.gz RCWBSGIUHWTCLS-HBNTYKKESA-N 0 1 249.358 2.406 20 0 BEADMN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](C)N(C)C)cc1 ZINC000635230156 345279652 /nfs/dbraw/zinc/27/96/52/345279652.db2.gz BVGABNIRJILUEJ-CHWSQXEVSA-N 0 1 248.370 2.465 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H](C)N(C)C ZINC000635233460 345281231 /nfs/dbraw/zinc/28/12/31/345281231.db2.gz RGEDAYLCYBNRGC-QWHCGFSZSA-N 0 1 248.370 2.465 20 0 BEADMN C[C@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C ZINC000635255382 345288755 /nfs/dbraw/zinc/28/87/55/345288755.db2.gz RXJMUGFWGUKEQR-GFCCVEGCSA-N 0 1 248.370 2.031 20 0 BEADMN Cc1nnc(C[N@H+]2CCCC3(CC3)CC2)o1 ZINC000626113416 345303077 /nfs/dbraw/zinc/30/30/77/345303077.db2.gz RMAOHIVYPGTGIU-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN Cc1nnc(CN2CCCC3(CC3)CC2)o1 ZINC000626113416 345303080 /nfs/dbraw/zinc/30/30/80/345303080.db2.gz RMAOHIVYPGTGIU-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@H]2C2CC2)n1 ZINC000381319797 345309751 /nfs/dbraw/zinc/30/97/51/345309751.db2.gz OIRDMGXPERBWCS-SWPVVBRQSA-N 0 1 221.304 2.217 20 0 BEADMN CC(C)OCc1nc(C2(N)CCCCC2)no1 ZINC000158281986 345313363 /nfs/dbraw/zinc/31/33/63/345313363.db2.gz CVHHYLIVQBZQAE-UHFFFAOYSA-N 0 1 239.319 2.113 20 0 BEADMN CC(C)(C)CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635413665 345354984 /nfs/dbraw/zinc/35/49/84/345354984.db2.gz ACJFIKWEQICCEM-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(C)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635413665 345354986 /nfs/dbraw/zinc/35/49/86/345354986.db2.gz ACJFIKWEQICCEM-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000575316665 345356617 /nfs/dbraw/zinc/35/66/17/345356617.db2.gz OVPHVEFCHRAXHL-YNEHKIRRSA-N 0 1 234.343 2.388 20 0 BEADMN Cc1cnccc1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000575316665 345356618 /nfs/dbraw/zinc/35/66/18/345356618.db2.gz OVPHVEFCHRAXHL-YNEHKIRRSA-N 0 1 234.343 2.388 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000575316653 345356733 /nfs/dbraw/zinc/35/67/33/345356733.db2.gz OVPHVEFCHRAXHL-AVGNSLFASA-N 0 1 234.343 2.388 20 0 BEADMN Cc1cnccc1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000575316653 345356737 /nfs/dbraw/zinc/35/67/37/345356737.db2.gz OVPHVEFCHRAXHL-AVGNSLFASA-N 0 1 234.343 2.388 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000635420018 345359904 /nfs/dbraw/zinc/35/99/04/345359904.db2.gz MEZPJLVYJBNLNA-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635443767 345373438 /nfs/dbraw/zinc/37/34/38/345373438.db2.gz KTKFPYNLYYBZCY-GMTAPVOTSA-N 0 1 235.331 2.208 20 0 BEADMN CCc1cccc2c1N(C(=O)[C@@H](C)N(C)C)CC2 ZINC000635454659 345379529 /nfs/dbraw/zinc/37/95/29/345379529.db2.gz ZDBPWUUKVKQHBX-LLVKDONJSA-N 0 1 246.354 2.088 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000159112417 345409856 /nfs/dbraw/zinc/40/98/56/345409856.db2.gz JBTUPBGMEYMXTR-GWCFXTLKSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3nn[nH]c3c2)C[C@H](C)O1 ZINC000562653590 345427970 /nfs/dbraw/zinc/42/79/70/345427970.db2.gz GWDVSZAPGPUGIC-JZYVYDRUSA-N 0 1 246.314 2.326 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3n[nH]nc3c2)C[C@H](C)O1 ZINC000562653590 345427973 /nfs/dbraw/zinc/42/79/73/345427973.db2.gz GWDVSZAPGPUGIC-JZYVYDRUSA-N 0 1 246.314 2.326 20 0 BEADMN CSCCNCc1c(F)cccc1F ZINC000070184053 345454010 /nfs/dbraw/zinc/45/40/10/345454010.db2.gz CSJBXLNOKOPSLU-UHFFFAOYSA-N 0 1 217.284 2.417 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC12CCC2 ZINC000080806183 345451184 /nfs/dbraw/zinc/45/11/84/345451184.db2.gz QUJFDSKHCHSIMM-UHFFFAOYSA-N 0 1 241.294 2.332 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635495293 345398092 /nfs/dbraw/zinc/39/80/92/345398092.db2.gz RBJSQTSSCKVHFN-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN COc1ccnc(CN(C)C(C)(C)C)c1OC ZINC000563080901 323088279 /nfs/dbraw/zinc/08/82/79/323088279.db2.gz JBPVMHBWJPHYFS-UHFFFAOYSA-N 0 1 238.331 2.329 20 0 BEADMN CCN(CC)Cc1cnnn1Cc1ccccc1 ZINC000081479846 345472035 /nfs/dbraw/zinc/47/20/35/345472035.db2.gz ZCQLTGAEQDYXDN-UHFFFAOYSA-N 0 1 244.342 2.168 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378688970 345474873 /nfs/dbraw/zinc/47/48/73/345474873.db2.gz XWVVEBXSAKGOTR-ZETCQYMHSA-N 0 1 228.317 2.072 20 0 BEADMN CCCCN(CC)C(=O)CN1CCC12CCC2 ZINC000081545955 345477449 /nfs/dbraw/zinc/47/74/49/345477449.db2.gz BQBAOHRIPLPBMK-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN C[C@H]1CCCCN1C(=O)CN1CCC12CCC2 ZINC000081516017 345483194 /nfs/dbraw/zinc/48/31/94/345483194.db2.gz ZMVIKBNCSUHPQK-LBPRGKRZSA-N 0 1 236.359 2.016 20 0 BEADMN CC(C)CO[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000177427719 187307306 /nfs/dbraw/zinc/30/73/06/187307306.db2.gz ZLJZBUWSRDGIFB-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN COC1CCN(Cc2nc(C)c(C)s2)CC1 ZINC000088573659 345542532 /nfs/dbraw/zinc/54/25/32/345542532.db2.gz OGBLNLJPEMBTJF-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1nc(CN(C[C@@H](C)O)C(C)C)sc1C ZINC000088598632 345542669 /nfs/dbraw/zinc/54/26/69/345542669.db2.gz PDJXHEGDVXQORH-SECBINFHSA-N 0 1 242.388 2.351 20 0 BEADMN COCc1ccc(CNc2cc(OC)ccn2)o1 ZINC000089805348 345559722 /nfs/dbraw/zinc/55/97/22/345559722.db2.gz IAVZMRZFLPTMOJ-UHFFFAOYSA-N 0 1 248.282 2.442 20 0 BEADMN CC[C@H](COC)[NH2+]Cc1nc2cccc(C)c2[nH]1 ZINC000090947868 345572688 /nfs/dbraw/zinc/57/26/88/345572688.db2.gz WVOSTTBOJIRZAV-LLVKDONJSA-N 0 1 247.342 2.386 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2cc(C)ccc21 ZINC000091104195 345587781 /nfs/dbraw/zinc/58/77/81/345587781.db2.gz RSGQDJIYRVKBOW-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN CC(C)[C@H](NCc1ccnn1C)c1cccnc1 ZINC000091284389 345590623 /nfs/dbraw/zinc/59/06/23/345590623.db2.gz VLPVTLNEUDEHKF-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN Fc1ccc(F)c2c1CCN(Cc1cnc[nH]1)C2 ZINC000093815740 345665755 /nfs/dbraw/zinc/66/57/55/345665755.db2.gz ZCJCMXCWAKFLCU-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN CO[C@H]1C[C@@H](NCc2ncc(C)s2)C1(C)C ZINC000394720629 323093191 /nfs/dbraw/zinc/09/31/91/323093191.db2.gz JRRZODAMXAWSKU-ZJUUUORDSA-N 0 1 240.372 2.355 20 0 BEADMN Cc1ccoc1C[N@H+]1CCN(C)CC1(C)C ZINC000093457395 345672079 /nfs/dbraw/zinc/67/20/79/345672079.db2.gz NUTXVQBPBUFRFW-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN COCC(C)(C)N(C)Cc1cnc(C2CC2)o1 ZINC000628292411 347087328 /nfs/dbraw/zinc/08/73/28/347087328.db2.gz CFFPHQPWIVLASF-UHFFFAOYSA-N 0 1 238.331 2.409 20 0 BEADMN CC(C)C1CCN(Cc2nccn2C)CC1 ZINC000141417897 345702951 /nfs/dbraw/zinc/70/29/51/345702951.db2.gz IFPBYDGMRUZRAY-UHFFFAOYSA-N 0 1 221.348 2.288 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)no1 ZINC000145001190 345709846 /nfs/dbraw/zinc/70/98/46/345709846.db2.gz DEAOIFPIUSSMNG-NSHDSACASA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cc(CN2CC[C@H](C(C)C)C2)no1 ZINC000145001190 345709847 /nfs/dbraw/zinc/70/98/47/345709847.db2.gz DEAOIFPIUSSMNG-NSHDSACASA-N 0 1 208.305 2.461 20 0 BEADMN CC(C)OC(=O)Cc1[nH]nc2ccccc21 ZINC000140277909 345807627 /nfs/dbraw/zinc/80/76/27/345807627.db2.gz DEBAJCCZUJJXCQ-UHFFFAOYSA-N 0 1 218.256 2.057 20 0 BEADMN C[C@@H]1CCCCCN1C(=O)[C@@H]1CCCCN1C ZINC000635568242 345823683 /nfs/dbraw/zinc/82/36/83/345823683.db2.gz GVJWMJHTAUOJFL-OLZOCXBDSA-N 0 1 238.375 2.262 20 0 BEADMN Clc1ccc(CNCc2cncnc2)s1 ZINC000070557881 345775655 /nfs/dbraw/zinc/77/56/55/345775655.db2.gz WXBHIUOUXWHUGQ-UHFFFAOYSA-N 0 1 239.731 2.481 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccccc1C ZINC000070649983 345794865 /nfs/dbraw/zinc/79/48/65/345794865.db2.gz CNAFMYCQYQLIDN-UHFFFAOYSA-N 0 1 215.256 2.279 20 0 BEADMN C(Nc1nc(C2CC2)ns1)[C@@H]1CC12CC2 ZINC000418981971 192091173 /nfs/dbraw/zinc/09/11/73/192091173.db2.gz AOYOHSDEGLCWQE-QMMMGPOBSA-N 0 1 221.329 2.049 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000141802737 345861815 /nfs/dbraw/zinc/86/18/15/345861815.db2.gz NTTZXMPXQHHOHG-NSHDSACASA-N 0 1 225.288 2.211 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)[C@H]1C ZINC000393429323 323096400 /nfs/dbraw/zinc/09/64/00/323096400.db2.gz PTTOMEGLLDVEKB-KHQFGBGNSA-N 0 1 227.739 2.208 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635600473 345887267 /nfs/dbraw/zinc/88/72/67/345887267.db2.gz ZRULYYGRXFAVQK-IJLUTSLNSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCCCC1 ZINC000635602291 345888227 /nfs/dbraw/zinc/88/82/27/345888227.db2.gz HHJDKLPKGLHSID-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@H]1CCN1C1CCCC1 ZINC000635583240 345879529 /nfs/dbraw/zinc/87/95/29/345879529.db2.gz QJWPWCCNKBXYQZ-GXTWGEPZSA-N 0 1 248.370 2.228 20 0 BEADMN CCCCN(CC)[C@H](C)c1nc(COC)no1 ZINC000181511369 345929443 /nfs/dbraw/zinc/92/94/43/345929443.db2.gz SUYXZCSDNLQUNN-SNVBAGLBSA-N 0 1 241.335 2.399 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000187738713 187311646 /nfs/dbraw/zinc/31/16/46/187311646.db2.gz JFDRLYFXKXSMNO-VHSXEESVSA-N 0 1 244.298 2.189 20 0 BEADMN C/C=C/C[C@@H](CO)N[C@@H](C)c1nccs1 ZINC000186522250 187311766 /nfs/dbraw/zinc/31/17/66/187311766.db2.gz LOSCMDRKHIXFSP-OHINUGQQSA-N 0 1 226.345 2.121 20 0 BEADMN CC[C@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000144188507 345918285 /nfs/dbraw/zinc/91/82/85/345918285.db2.gz QWBRXAANGFMSOO-VIFPVBQESA-N 0 1 231.299 2.020 20 0 BEADMN CC1(C)CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635655167 345933754 /nfs/dbraw/zinc/93/37/54/345933754.db2.gz NPGSYWGRPWOSTC-CKYFFXLPSA-N 0 1 247.342 2.208 20 0 BEADMN C[C@@H](N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1(C)CC1 ZINC000635662006 345944495 /nfs/dbraw/zinc/94/44/95/345944495.db2.gz RPZVZNBLUFTXHB-GMTAPVOTSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H](N(C)C(=O)[C@@H]1CCCCN1C)C1(C)CC1 ZINC000635662785 345946661 /nfs/dbraw/zinc/94/66/61/345946661.db2.gz ZAVMQGJZOSNMCL-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C(N[C@H]1CCSC1)c1noc2c1CCCC2 ZINC000290279693 187362024 /nfs/dbraw/zinc/36/20/24/187362024.db2.gz YXVNSSWAGRHMLW-VIFPVBQESA-N 0 1 238.356 2.149 20 0 BEADMN C[C@H](C(=O)Nc1cccc2ccncc21)N(C)C ZINC000635668436 345969670 /nfs/dbraw/zinc/96/96/70/345969670.db2.gz ORDTZNFBDLMSCT-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C(F)F ZINC000684343081 488296582 /nfs/dbraw/zinc/29/65/82/488296582.db2.gz CXNFHQJZZMPHDQ-DTORHVGOSA-N 0 1 248.317 2.019 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCCCN1C ZINC000601000877 345986960 /nfs/dbraw/zinc/98/69/60/345986960.db2.gz KQXQTCQKRGNKOA-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCc1ncc(CNC(=O)[C@]2(C)CCC[C@H]2C)[nH]1 ZINC001639097829 1172071310 /nfs/dbraw/zinc/07/13/10/1172071310.db2.gz QNMMKAWHBPZTKY-QMTHXVAHSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)(C)n1cc(CN2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000191369118 346026965 /nfs/dbraw/zinc/02/69/65/346026965.db2.gz OZVIXSTVAHLZAI-TXEJJXNPSA-N 0 1 248.374 2.265 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCC1=CCCC1 ZINC000635728233 346039510 /nfs/dbraw/zinc/03/95/10/346039510.db2.gz BCFHDZQJSUVDBJ-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN C[C@H](C(=O)N(C)C(C)(C)c1ccccc1)N(C)C ZINC000635909069 346107137 /nfs/dbraw/zinc/10/71/37/346107137.db2.gz UAWRIPKIECCDJF-GFCCVEGCSA-N 0 1 248.370 2.330 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCCCN1C ZINC000635809451 346073531 /nfs/dbraw/zinc/07/35/31/346073531.db2.gz IEAZWOFLTSUYNF-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ncc(CNC(=O)CC2=CCCCC2)[nH]1 ZINC001639094274 1172072682 /nfs/dbraw/zinc/07/26/82/1172072682.db2.gz ZJVPXZXEFFLCSW-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CC(C)=CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000191974720 346079292 /nfs/dbraw/zinc/07/92/92/346079292.db2.gz AHQZZRXTMPAMFR-CYBMUJFWSA-N 0 1 210.365 2.225 20 0 BEADMN C[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000635882723 346101682 /nfs/dbraw/zinc/10/16/82/346101682.db2.gz ZYGXCFVMOQHCAB-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000635882724 346101690 /nfs/dbraw/zinc/10/16/90/346101690.db2.gz ZYGXCFVMOQHCAB-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2nccc(N)n2)CC1 ZINC000332258859 187365656 /nfs/dbraw/zinc/36/56/56/187365656.db2.gz NJLQKPBBHRTBRD-LBPRGKRZSA-N 0 1 248.374 2.147 20 0 BEADMN C[C@H](C(=O)Nc1ccc2c(c1)CCCC2)N(C)C ZINC000635977659 346131043 /nfs/dbraw/zinc/13/10/43/346131043.db2.gz DOLUREIFVMRILD-LLVKDONJSA-N 0 1 246.354 2.454 20 0 BEADMN CC(C)(C)C(C)(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635959721 346133191 /nfs/dbraw/zinc/13/31/91/346133191.db2.gz SJXPYAGJPANSPT-NXEZZACHSA-N 0 1 249.358 2.454 20 0 BEADMN Cc1ncc(CN[C@@H]2CCC(F)(F)C2)o1 ZINC000628229483 346178496 /nfs/dbraw/zinc/17/84/96/346178496.db2.gz XAHVKFHVDHMROR-MRVPVSSYSA-N 0 1 216.231 2.260 20 0 BEADMN CC(C)CC[C@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000171176865 346169449 /nfs/dbraw/zinc/16/94/49/346169449.db2.gz DAQVOGBWOOYJJL-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)n[nH]1 ZINC000054041990 1172075935 /nfs/dbraw/zinc/07/59/35/1172075935.db2.gz MQTKRKPLSHDAQH-NEPJUHHUSA-N 0 1 247.342 2.370 20 0 BEADMN C[C@H]1CCC(C)(C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636011570 346153429 /nfs/dbraw/zinc/15/34/29/346153429.db2.gz HLWBHYIVSBOUSX-HBNTYKKESA-N 0 1 247.342 2.303 20 0 BEADMN CN(CCn1ccccc1=O)Cc1cccs1 ZINC000586828925 346154099 /nfs/dbraw/zinc/15/40/99/346154099.db2.gz BTLAFYJIZYAOGI-UHFFFAOYSA-N 0 1 248.351 2.042 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636018968 346157917 /nfs/dbraw/zinc/15/79/17/346157917.db2.gz QIDMJTBPQWXKEU-BGOOENEXSA-N 0 1 247.342 2.064 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636018972 346158124 /nfs/dbraw/zinc/15/81/24/346158124.db2.gz QIDMJTBPQWXKEU-KLTVKPSUSA-N 0 1 247.342 2.064 20 0 BEADMN CCc1ccc(COCCc2c[nH]nn2)cc1 ZINC000419060222 192098709 /nfs/dbraw/zinc/09/87/09/192098709.db2.gz YQYACBQGPFIEST-UHFFFAOYSA-N 0 1 231.299 2.126 20 0 BEADMN FC1(F)CCCC[C@H]1COCCc1c[nH]nn1 ZINC000419055255 192098467 /nfs/dbraw/zinc/09/84/67/192098467.db2.gz NXFWUHHYZZYSQJ-VIFPVBQESA-N 0 1 245.273 2.189 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)o1 ZINC000628254442 346238964 /nfs/dbraw/zinc/23/89/64/346238964.db2.gz BFGVQJYIOLUSQY-JQWIXIFHSA-N 0 1 238.331 2.108 20 0 BEADMN CC[N@H+]1CCC[C@H]1CNCc1ncc(C)s1 ZINC000294765119 346259931 /nfs/dbraw/zinc/25/99/31/346259931.db2.gz MFEWOVBHPRLFFC-NSHDSACASA-N 0 1 239.388 2.025 20 0 BEADMN CN(Cc1ccc(Cl)nn1)[C@@H]1CCSC1 ZINC000167393440 346243156 /nfs/dbraw/zinc/24/31/56/346243156.db2.gz VSNXRJKZGYQJBE-SECBINFHSA-N 0 1 243.763 2.067 20 0 BEADMN CC(C)[C@H](CO)CNCc1ncc(Cl)s1 ZINC000336767422 535034119 /nfs/dbraw/zinc/03/41/19/535034119.db2.gz TVCUNLSQYTXIOJ-QMMMGPOBSA-N 0 1 248.779 2.151 20 0 BEADMN CCN(Cc1nc(C)c[nH]1)CC1CCC1 ZINC000628256083 346253237 /nfs/dbraw/zinc/25/32/37/346253237.db2.gz IWUJJQOEOUARID-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CCc1cnc(CN[C@@H]2CCOC2(C)C)s1 ZINC000294812563 346284802 /nfs/dbraw/zinc/28/48/02/346284802.db2.gz PVNCDTIQJLUYEU-SNVBAGLBSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1nc(C)c(CN[C@H]2CSC2(C)C)o1 ZINC000628265090 346266428 /nfs/dbraw/zinc/26/64/28/346266428.db2.gz PJWORADLQSNUER-JTQLQIEISA-N 0 1 226.345 2.275 20 0 BEADMN CSc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)o1 ZINC000641749446 362670556 /nfs/dbraw/zinc/67/05/56/362670556.db2.gz SZCBWTDQKFNXKK-VHSXEESVSA-N 0 1 241.356 2.251 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccccc1 ZINC000062622748 346294310 /nfs/dbraw/zinc/29/43/10/346294310.db2.gz JVXUJFHRSKMHAV-ZDUSSCGKSA-N 0 1 247.342 2.148 20 0 BEADMN Cc1cccc(C)c1CN(C)Cc1nnc[nH]1 ZINC000267628602 179033399 /nfs/dbraw/zinc/03/33/99/179033399.db2.gz RVLDQTFRHBMDCF-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CC1(C)CN(Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000279977161 346288900 /nfs/dbraw/zinc/28/89/00/346288900.db2.gz ZGVAVPXBIVHVKD-GFCCVEGCSA-N 0 1 241.281 2.168 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1c(F)cccc1F ZINC000641746890 362673032 /nfs/dbraw/zinc/67/30/32/362673032.db2.gz DFZFUSMLARGIJB-PBKGFPTLSA-N 0 1 241.281 2.382 20 0 BEADMN CCc1nocc1CNc1cccc2[nH]nnc21 ZINC000641759013 362689889 /nfs/dbraw/zinc/68/98/89/362689889.db2.gz YQSCAVFZFFTEOI-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC000636064485 346307783 /nfs/dbraw/zinc/30/77/83/346307783.db2.gz AAFJPCRCRDQACP-LLVKDONJSA-N 0 1 233.315 2.033 20 0 BEADMN Cc1coc(C)c1C(=O)N(C)Cc1cn[nH]c1C ZINC000636069340 346310244 /nfs/dbraw/zinc/31/02/44/346310244.db2.gz KLUQOWXOUDYWQN-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN CC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000074998424 346313792 /nfs/dbraw/zinc/31/37/92/346313792.db2.gz CTWMWPISLNTRLI-UHFFFAOYSA-N 0 1 231.299 2.225 20 0 BEADMN C[C@H](C(=O)NCC[C@H]1CCCC1(C)C)N(C)C ZINC000636250169 346367913 /nfs/dbraw/zinc/36/79/13/346367913.db2.gz ISOSFUCPMQOEFC-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cccc(CCCN2CCOCC2)c1 ZINC000180896111 179053804 /nfs/dbraw/zinc/05/38/04/179053804.db2.gz YCBOPQPEERTNIP-UHFFFAOYSA-N 0 1 219.328 2.260 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000636227211 346361269 /nfs/dbraw/zinc/36/12/69/346361269.db2.gz QVUZGACEVFSRRJ-NQBHXWOUSA-N 0 1 247.342 2.064 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1 ZINC000336272203 187366679 /nfs/dbraw/zinc/36/66/79/187366679.db2.gz YFLQWDQQCYNISB-NHYWBVRUSA-N 0 1 247.338 2.234 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000636159992 346340845 /nfs/dbraw/zinc/34/08/45/346340845.db2.gz IYIOOWOQLHMFMW-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1Cc1cnc2cnccn12 ZINC000157447866 346382502 /nfs/dbraw/zinc/38/25/02/346382502.db2.gz JYPJZXKFEUABBO-GFCCVEGCSA-N 0 1 244.342 2.494 20 0 BEADMN C[C@@H](N[C@@H](C)CC1CCOCC1)C(F)F ZINC000641792205 362725926 /nfs/dbraw/zinc/72/59/26/362725926.db2.gz SBAMBRRHOSUSEO-DTWKUNHWSA-N 0 1 221.291 2.435 20 0 BEADMN C(=C/c1ccncc1)\CN1CCOC2(CCC2)C1 ZINC000336461711 187368894 /nfs/dbraw/zinc/36/88/94/187368894.db2.gz WRJPQMMZWDKJJS-HNQUOIGGSA-N 0 1 244.338 2.350 20 0 BEADMN CO[C@H]1C[C@H]2C[C@H](N[C@@H](C)C(F)F)C[C@H]2C1 ZINC000641792846 362728844 /nfs/dbraw/zinc/72/88/44/362728844.db2.gz ZDARZHXTJJAYAZ-FBDQPXRJSA-N 0 1 233.302 2.433 20 0 BEADMN COCC1CCC(N[C@H](C)C(F)F)CC1 ZINC000641792856 362729229 /nfs/dbraw/zinc/72/92/29/362729229.db2.gz ZMFZDCXYVNPJTD-XNWIYYODSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062936212 179081881 /nfs/dbraw/zinc/08/18/81/179081881.db2.gz COTGFJGIWUTJDR-CQSZACIVSA-N 0 1 233.311 2.292 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000641793672 362736900 /nfs/dbraw/zinc/73/69/00/362736900.db2.gz LLDRASSFIYVUIG-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000641793672 362736905 /nfs/dbraw/zinc/73/69/05/362736905.db2.gz LLDRASSFIYVUIG-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN C[C@@H](N[C@@H]1/C=C/CCCCC1)c1nncn1C ZINC000334216996 346446243 /nfs/dbraw/zinc/44/62/43/346446243.db2.gz WCLLHBWNCHKOMI-RQDOONKYSA-N 0 1 234.347 2.355 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000641794044 362733939 /nfs/dbraw/zinc/73/39/39/362733939.db2.gz JQJSETHVKOZSGJ-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000641794044 362733944 /nfs/dbraw/zinc/73/39/44/362733944.db2.gz JQJSETHVKOZSGJ-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN Cc1noc(CN2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000334194358 346442091 /nfs/dbraw/zinc/44/20/91/346442091.db2.gz UFHQMRWXIBDMKK-VHSXEESVSA-N 0 1 223.320 2.246 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCOC[C@H]1C ZINC000574956116 346456771 /nfs/dbraw/zinc/45/67/71/346456771.db2.gz ZSTYVVAIBJNQCO-GHMZBOCLSA-N 0 1 225.357 2.400 20 0 BEADMN NC(=O)[C@H](NCC1=CCCCC1)c1ccccc1 ZINC000419205286 192104226 /nfs/dbraw/zinc/10/42/26/192104226.db2.gz JREJJMIKLGVYNW-CQSZACIVSA-N 0 1 244.338 2.303 20 0 BEADMN Cc1cccc(Cl)c1CN(C)[C@H](C)CO ZINC000295497045 179108294 /nfs/dbraw/zinc/10/82/94/179108294.db2.gz ZTKJAENSMXYUGL-SNVBAGLBSA-N 0 1 227.735 2.461 20 0 BEADMN C[C@@H]1C[N@H+](CCCCC(=O)[O-])C[C@H](C)S1 ZINC000069908792 349967953 /nfs/dbraw/zinc/96/79/53/349967953.db2.gz GQWZSHGFNZZONV-AOOOYVTPSA-N 0 1 231.361 2.067 20 0 BEADMN CC/C=C\CCN(C)CC(=O)NC(C)(C)C ZINC000342272080 346561781 /nfs/dbraw/zinc/56/17/81/346561781.db2.gz JMYPLXZTPLURKP-FPLPWBNLSA-N 0 1 226.364 2.189 20 0 BEADMN Cc1cccc(N(C)C(=O)CN(C)C(C)C)c1 ZINC000263905102 179112266 /nfs/dbraw/zinc/11/22/66/179112266.db2.gz ZDZLLKBNXCBZPU-UHFFFAOYSA-N 0 1 234.343 2.298 20 0 BEADMN CCN(Cc1nc(CO)cs1)CC(C)C ZINC000669380196 537983996 /nfs/dbraw/zinc/98/39/96/537983996.db2.gz VCRBUEUGAQBKRX-UHFFFAOYSA-N 0 1 228.361 2.113 20 0 BEADMN Cc1cc(C(=O)N(C)C[C@@H](C)C(C)(C)C)n[nH]1 ZINC000636432027 346533012 /nfs/dbraw/zinc/53/30/12/346533012.db2.gz OPDQJTCONIEHHJ-SECBINFHSA-N 0 1 237.347 2.472 20 0 BEADMN C[C@H](CN(C)C(=O)c1ccn[nH]1)C(C)(C)C ZINC000636432905 346535246 /nfs/dbraw/zinc/53/52/46/346535246.db2.gz HZIVJQWQPZCRMA-SECBINFHSA-N 0 1 223.320 2.164 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H]1CC1(C)C ZINC000621043565 346586002 /nfs/dbraw/zinc/58/60/02/346586002.db2.gz FANJCYDRCVCDPI-GHMZBOCLSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1ncccc1CN[C@@H](CO)c1ccccc1 ZINC000304213713 346648948 /nfs/dbraw/zinc/64/89/48/346648948.db2.gz FVUJZVKSGRSVDY-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1cccc(NC(=O)N2C[C@@H](C)N[C@H](C)C2)c1 ZINC000070076621 179131954 /nfs/dbraw/zinc/13/19/54/179131954.db2.gz KLDDAOWHUAHMQF-VXGBXAGGSA-N 0 1 247.342 2.209 20 0 BEADMN COC[C@]1(C)CN(Cc2ccc(C)cc2)CCO1 ZINC000626172414 346714883 /nfs/dbraw/zinc/71/48/83/346714883.db2.gz YREXADJSCQIXAS-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN O=c1nc(-c2cccnc2)[nH]c2ccsc21 ZINC000038976416 346728951 /nfs/dbraw/zinc/72/89/51/346728951.db2.gz SFMNELLPLFFCFL-UHFFFAOYSA-N 0 1 229.264 2.047 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3occc32)n[nH]1 ZINC000589641641 346722372 /nfs/dbraw/zinc/72/23/72/346722372.db2.gz SJUKRVZWIYWNNF-LBPRGKRZSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3occc32)[nH]n1 ZINC000589641641 346722375 /nfs/dbraw/zinc/72/23/75/346722375.db2.gz SJUKRVZWIYWNNF-LBPRGKRZSA-N 0 1 231.299 2.478 20 0 BEADMN CCN(C(=O)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000617933267 346723574 /nfs/dbraw/zinc/72/35/74/346723574.db2.gz KYHJJMKPXPYEKI-AWEZNQCLSA-N 0 1 246.354 2.243 20 0 BEADMN c1cc(CNCc2[nH]nc3ccccc32)co1 ZINC000589644809 346724775 /nfs/dbraw/zinc/72/47/75/346724775.db2.gz VLJOBQWFYFPKDF-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN Cc1cccc(NCC(C)(C)CCO)n1 ZINC000184574866 179144306 /nfs/dbraw/zinc/14/43/06/179144306.db2.gz KEXGPYVFQJNRDW-UHFFFAOYSA-N 0 1 208.305 2.211 20 0 BEADMN CC[C@H](NC(=O)CN(C)C)C1CCCCC1 ZINC000589337021 346692425 /nfs/dbraw/zinc/69/24/25/346692425.db2.gz ZWMYIJRUMVMXFL-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C2CC2)CC1 ZINC000590006866 346762755 /nfs/dbraw/zinc/76/27/55/346762755.db2.gz WQIGFCJTRCVFQI-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCC(C2CC2)CC1 ZINC000590008666 346763169 /nfs/dbraw/zinc/76/31/69/346763169.db2.gz PLZMWFWWGKMFIG-ZDUSSCGKSA-N 0 1 237.343 2.060 20 0 BEADMN c1nc2cc(CNCc3ccccn3)ccc2[nH]1 ZINC000589843489 346743842 /nfs/dbraw/zinc/74/38/42/346743842.db2.gz SYNAURRVYFKYEU-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN c1nc2ccc(CNCc3ccccn3)cc2[nH]1 ZINC000589843489 346743844 /nfs/dbraw/zinc/74/38/44/346743844.db2.gz SYNAURRVYFKYEU-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(N)=O ZINC000182626001 346802792 /nfs/dbraw/zinc/80/27/92/346802792.db2.gz XJUHQPOZHKJCGS-MWLCHTKSSA-N 0 1 246.310 2.347 20 0 BEADMN CC1(C)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000580258939 346803913 /nfs/dbraw/zinc/80/39/13/346803913.db2.gz PRWCAYSOTSZUSC-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC1(C)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000580258939 346803916 /nfs/dbraw/zinc/80/39/16/346803916.db2.gz PRWCAYSOTSZUSC-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC[C@@H](O)CCCN[C@H](C)c1cc(C)on1 ZINC000309712720 347145807 /nfs/dbraw/zinc/14/58/07/347145807.db2.gz RIKMOJBZQUVSGB-GHMZBOCLSA-N 0 1 226.320 2.185 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCCF)C1CCC1 ZINC000577193074 365872006 /nfs/dbraw/zinc/87/20/06/365872006.db2.gz SZXKOVFYEJDATE-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN CO[C@@H](C)C[N@H+](Cc1ncccc1[O-])C(C)C ZINC000580676889 365872497 /nfs/dbraw/zinc/87/24/97/365872497.db2.gz FGYMFUNHAFJQKB-NSHDSACASA-N 0 1 238.331 2.033 20 0 BEADMN CO[C@@H](C)C[N@@H+](Cc1ncccc1[O-])C(C)C ZINC000580676889 365872503 /nfs/dbraw/zinc/87/25/03/365872503.db2.gz FGYMFUNHAFJQKB-NSHDSACASA-N 0 1 238.331 2.033 20 0 BEADMN CCN1CCN(c2nc(Cl)cs2)C[C@H]1C ZINC000250266891 362798601 /nfs/dbraw/zinc/79/86/01/362798601.db2.gz KOGMYOLAJCPBTE-MRVPVSSYSA-N 0 1 245.779 2.327 20 0 BEADMN CCC(CC)NCc1n[nH]cc1Br ZINC000388221536 347249013 /nfs/dbraw/zinc/24/90/13/347249013.db2.gz ILVDAEAMRUSWCV-UHFFFAOYSA-N 0 1 246.152 2.450 20 0 BEADMN CCC(F)(F)CN[C@H](C)[C@@H]1CCCOC1 ZINC000624149053 347284535 /nfs/dbraw/zinc/28/45/35/347284535.db2.gz VHXQEWABHDUARC-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN C[C@H]([N@H+](C)Cc1ncccc1[O-])C1(C)CC1 ZINC000571329000 323141555 /nfs/dbraw/zinc/14/15/55/323141555.db2.gz WAGPNGNDTILNFD-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]([N@@H+](C)Cc1ncccc1[O-])C1(C)CC1 ZINC000571329000 323141556 /nfs/dbraw/zinc/14/15/56/323141556.db2.gz WAGPNGNDTILNFD-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000390241733 347291614 /nfs/dbraw/zinc/29/16/14/347291614.db2.gz HWVYJAMVOBZZMY-YPMHNXCESA-N 0 1 223.316 2.282 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1cnc(C)o1)OC ZINC000628297727 347259339 /nfs/dbraw/zinc/25/93/39/347259339.db2.gz JSKWPUDUWXHHJR-BXKDBHETSA-N 0 1 226.320 2.134 20 0 BEADMN CCC(F)(F)CN[C@H]1CCOC[C@@H]1C ZINC000624148847 347280277 /nfs/dbraw/zinc/28/02/77/347280277.db2.gz PDCJPJVGPZCBMS-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CCCN(CCCF)[C@@H](CC)C(=O)OCC ZINC000190357208 347328076 /nfs/dbraw/zinc/32/80/76/347328076.db2.gz QSZOHHYTEDLMLM-NSHDSACASA-N 0 1 233.327 2.400 20 0 BEADMN CCC(CC)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000605662269 347413032 /nfs/dbraw/zinc/41/30/32/347413032.db2.gz WIFYIIJOXPPFDJ-UHFFFAOYSA-N 0 1 221.304 2.203 20 0 BEADMN Cc1cccc2c1N(C(=O)CN(C)C(C)C)CC2 ZINC000269106141 179218919 /nfs/dbraw/zinc/21/89/19/179218919.db2.gz IUOMDXWBNRLAGL-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN CCCCOC[C@@H](O)CN1Cc2ccccc2C1 ZINC000193249824 347393998 /nfs/dbraw/zinc/39/39/98/347393998.db2.gz KYEHAEBCERHOQB-HNNXBMFYSA-N 0 1 249.354 2.180 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000616921244 347450277 /nfs/dbraw/zinc/45/02/77/347450277.db2.gz KOLRHURPQTVOOH-OLZOCXBDSA-N 0 1 247.342 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000616921245 347450331 /nfs/dbraw/zinc/45/03/31/347450331.db2.gz KOLRHURPQTVOOH-QWHCGFSZSA-N 0 1 247.342 2.194 20 0 BEADMN Cc1cccc(C(=O)N(C)Cc2cnc[nH]2)c1C ZINC000616922053 347452651 /nfs/dbraw/zinc/45/26/51/347452651.db2.gz NMTOABYJMIJSDP-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CC[C@@H](CC(F)F)C(=O)N(C)Cc1cnc[nH]1 ZINC000616922202 347452676 /nfs/dbraw/zinc/45/26/76/347452676.db2.gz SZLIYSPOOHUERV-QMMMGPOBSA-N 0 1 245.273 2.050 20 0 BEADMN CCN(Cc1csc(C)n1)C[C@H]1CCOC1 ZINC000605716078 347427984 /nfs/dbraw/zinc/42/79/84/347427984.db2.gz IWYKYFVTSXNOMG-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CO[C@H]1CCN(Cc2cnc(C)o2)CC1(C)C ZINC000628299719 347430897 /nfs/dbraw/zinc/43/08/97/347430897.db2.gz XZQWFFKENZURME-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCC(C)(C)C ZINC000616925797 347457106 /nfs/dbraw/zinc/45/71/06/347457106.db2.gz QIODINIEUHLGAU-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN Cc1ccccc1-n1cc(CNC(C)(C)C)nn1 ZINC000090299819 179240736 /nfs/dbraw/zinc/24/07/36/179240736.db2.gz RUSPYRWGBALFOM-UHFFFAOYSA-N 0 1 244.342 2.464 20 0 BEADMN Cc1ccccc1-n1cc(CNC(C)C)nn1 ZINC000090299817 179240762 /nfs/dbraw/zinc/24/07/62/179240762.db2.gz UZVOCVAEUZIRHW-UHFFFAOYSA-N 0 1 230.315 2.074 20 0 BEADMN CCCC[C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928618 347494667 /nfs/dbraw/zinc/49/46/67/347494667.db2.gz GXHYNNQYDBCJLD-SNVBAGLBSA-N 0 1 223.320 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)c1ccoc1C1CC1 ZINC000616928509 347495213 /nfs/dbraw/zinc/49/52/13/347495213.db2.gz CCYYNHKAOFJXFP-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN Cc1scc(C(=O)N(C)Cc2cnc[nH]2)c1C ZINC000616926625 347457999 /nfs/dbraw/zinc/45/79/99/347457999.db2.gz JQALQOQDEIRFAN-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN C[C@@H]1CC[C@@H](CC(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616926743 347459437 /nfs/dbraw/zinc/45/94/37/347459437.db2.gz OCTMTYYPZCTAHS-GHMZBOCLSA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000616927134 347459516 /nfs/dbraw/zinc/45/95/16/347459516.db2.gz AYLGTGFUHYWBSL-JTQLQIEISA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C[C@@H]1C=CCCC1 ZINC000616927124 347459556 /nfs/dbraw/zinc/45/95/56/347459556.db2.gz AJDDENKYQLWUSX-LLVKDONJSA-N 0 1 233.315 2.115 20 0 BEADMN C[C@@H]1CCC[C@H]1CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927402 347459583 /nfs/dbraw/zinc/45/95/83/347459583.db2.gz IFFCTFKUGGATRA-MNOVXSKESA-N 0 1 235.331 2.194 20 0 BEADMN CCc1noc(CN2CCC[C@H]2C2CC2)n1 ZINC000590787942 347558170 /nfs/dbraw/zinc/55/81/70/347558170.db2.gz OBNDKUUHEUFVIE-JTQLQIEISA-N 0 1 221.304 2.006 20 0 BEADMN Cc1ccccc1CN1CCC[C@](F)(CO)C1 ZINC000287166091 179273382 /nfs/dbraw/zinc/27/33/82/179273382.db2.gz ZJVHIDNNXDVKNC-CQSZACIVSA-N 0 1 237.318 2.291 20 0 BEADMN Cc1ccccc1CN1CCC[C@@](F)(CO)C1 ZINC000287166087 179274133 /nfs/dbraw/zinc/27/41/33/179274133.db2.gz ZJVHIDNNXDVKNC-AWEZNQCLSA-N 0 1 237.318 2.291 20 0 BEADMN CC[C@@H]1CN(C[C@H](CC(C)C)OC)CCO1 ZINC000419190160 192108141 /nfs/dbraw/zinc/10/81/41/192108141.db2.gz QKBYKGPXXDIONJ-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CC1=CCCC1 ZINC000592106663 347734981 /nfs/dbraw/zinc/73/49/81/347734981.db2.gz KZSYTMBRILTUPO-AAEUAGOBSA-N 0 1 237.343 2.370 20 0 BEADMN CC1(C)CCN(CC2=CCCC2)CC[S@]1=O ZINC000592125727 347739209 /nfs/dbraw/zinc/73/92/09/347739209.db2.gz IEJDDXKESHGBCC-MRXNPFEDSA-N 0 1 241.400 2.330 20 0 BEADMN COC(=O)c1cccc2c1CN(CC1CC1)CC2 ZINC000592159367 347745991 /nfs/dbraw/zinc/74/59/91/347745991.db2.gz RGEFWYHYNLDFII-UHFFFAOYSA-N 0 1 245.322 2.241 20 0 BEADMN CCN(CCSC)Cc1cnccc1OC ZINC000592202979 347755090 /nfs/dbraw/zinc/75/50/90/347755090.db2.gz UMAOCQPXAXIZAO-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875645 347876996 /nfs/dbraw/zinc/87/69/96/347876996.db2.gz UIWOODAFCPUUIG-CMPLNLGQSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000299471066 179320166 /nfs/dbraw/zinc/32/01/66/179320166.db2.gz CXSZJDDPOKIAOU-TZMCWYRMSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000299471066 179320167 /nfs/dbraw/zinc/32/01/67/179320167.db2.gz CXSZJDDPOKIAOU-TZMCWYRMSA-N 0 1 246.354 2.266 20 0 BEADMN CC[C@@H](CN1CCCC[C@H]1c1cc[nH]n1)OC ZINC000419268362 192110663 /nfs/dbraw/zinc/11/06/63/192110663.db2.gz MHNUBEOQUDGCTJ-AAEUAGOBSA-N 0 1 237.347 2.362 20 0 BEADMN Cc1cc(CNC(=O)CCc2cccs2)n[nH]1 ZINC000603486511 349978930 /nfs/dbraw/zinc/97/89/30/349978930.db2.gz QRFFGYBZBULNAC-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN CC[C@H](CC(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000603486659 349979226 /nfs/dbraw/zinc/97/92/26/349979226.db2.gz SPYQGWSNDWMLSI-LLVKDONJSA-N 0 1 237.347 2.407 20 0 BEADMN Cc1cc(CNC(=O)CC2=CCCCC2)n[nH]1 ZINC000603487204 349979492 /nfs/dbraw/zinc/97/94/92/349979492.db2.gz FLNBYHIDTHINBJ-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN Cc1cc(CNC(=O)c2ccccc2Cl)n[nH]1 ZINC000603484527 349978435 /nfs/dbraw/zinc/97/84/35/349978435.db2.gz GGCNANYYSUIWKL-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN C[N@@H+](CC/C=C/c1ccccc1)CC(=O)[O-] ZINC000323471745 348024857 /nfs/dbraw/zinc/02/48/57/348024857.db2.gz XIIFJNYAYHCSMP-WEVVVXLNSA-N 0 1 219.284 2.106 20 0 BEADMN Cc1cc(CNC(=O)CCc2ccsc2)n[nH]1 ZINC000603489316 349981306 /nfs/dbraw/zinc/98/13/06/349981306.db2.gz SDCCNSYHOZNFHS-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCCC[C@@H]1C ZINC000295743080 179341474 /nfs/dbraw/zinc/34/14/74/179341474.db2.gz OYLDXXZSSZQGCG-JSGCOSHPSA-N 0 1 246.354 2.396 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)C1CCCC1 ZINC000295592101 179341935 /nfs/dbraw/zinc/34/19/35/179341935.db2.gz FGLAQWLIRVGKOM-AWEZNQCLSA-N 0 1 246.354 2.396 20 0 BEADMN CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000202764754 348048862 /nfs/dbraw/zinc/04/88/62/348048862.db2.gz ZLGMAWIMUGPAIU-DGCLKSJQSA-N 0 1 205.301 2.468 20 0 BEADMN Cc1cccnc1-c1nc([C@@H](N)C(C)C)no1 ZINC000051813751 179356960 /nfs/dbraw/zinc/35/69/60/179356960.db2.gz UYZJUIZNLDQUPV-VIFPVBQESA-N 0 1 232.287 2.096 20 0 BEADMN CCc1nc([C@H](C)SC[C@H]2CCCO2)n[nH]1 ZINC000594895092 348128253 /nfs/dbraw/zinc/12/82/53/348128253.db2.gz QIAKGXWMHZYKOH-DTWKUNHWSA-N 0 1 241.360 2.340 20 0 BEADMN CCc1nc([C@H](C)S[C@H]2CCO[C@H]2C)n[nH]1 ZINC000594892859 348126567 /nfs/dbraw/zinc/12/65/67/348126567.db2.gz KCUCNPHRQJSSQI-CIUDSAMLSA-N 0 1 241.360 2.339 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)C2CCCC2)n[nH]1 ZINC000594663330 348094020 /nfs/dbraw/zinc/09/40/20/348094020.db2.gz CCSMYCPAQBWCBP-ZKANADHPSA-N 0 1 241.360 2.119 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)[C@H](C)C(C)C)n[nH]1 ZINC000594666459 348095157 /nfs/dbraw/zinc/09/51/57/348095157.db2.gz QXLDWSQZSQXFLE-YNEJBJPTSA-N 0 1 243.376 2.221 20 0 BEADMN CCc1nc([C@@H](C)[S@@](=O)CC(C)(C)C)n[nH]1 ZINC000594665887 348095436 /nfs/dbraw/zinc/09/54/36/348095436.db2.gz NTXAMGIHXIIOCB-BCTVWOGZSA-N 0 1 243.376 2.223 20 0 BEADMN CCn1ccnc1CN[C@H](C)CSCCF ZINC000595041040 348177708 /nfs/dbraw/zinc/17/77/08/348177708.db2.gz JJUOPKUKAZPXKE-SNVBAGLBSA-N 0 1 245.367 2.084 20 0 BEADMN COC1(CNCc2nc(C)cs2)CCC1 ZINC000134659238 323177518 /nfs/dbraw/zinc/17/75/18/323177518.db2.gz WUHXDTZHNUMSOB-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN Cc1cc(CN[C@H](C)CSCCF)no1 ZINC000595018852 348170637 /nfs/dbraw/zinc/17/06/37/348170637.db2.gz TUGMBDJLSYEFTG-MRVPVSSYSA-N 0 1 232.324 2.164 20 0 BEADMN C[C@H](CSCCF)NCc1cscn1 ZINC000595016974 348170657 /nfs/dbraw/zinc/17/06/57/348170657.db2.gz TXJWQAAWOVPYQN-MRVPVSSYSA-N 0 1 234.365 2.324 20 0 BEADMN Cc1cccnc1C(C)(C)CNCc1cocn1 ZINC000353151924 179365875 /nfs/dbraw/zinc/36/58/75/179365875.db2.gz LAQWDDOIXUWSCA-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN Cc1ncc(CN[C@H](C)CSCCF)o1 ZINC000595053595 348181538 /nfs/dbraw/zinc/18/15/38/348181538.db2.gz WRTWFVJCGYSREE-MRVPVSSYSA-N 0 1 232.324 2.164 20 0 BEADMN C[C@H](CSCCF)N[C@@H](C)c1nccn1C ZINC000595106140 348196576 /nfs/dbraw/zinc/19/65/76/348196576.db2.gz JICXWJDOGWUULR-ZJUUUORDSA-N 0 1 245.367 2.162 20 0 BEADMN C[C@@H](N[C@@H](C)CSCCF)c1nccn1C ZINC000595106139 348196843 /nfs/dbraw/zinc/19/68/43/348196843.db2.gz JICXWJDOGWUULR-VHSXEESVSA-N 0 1 245.367 2.162 20 0 BEADMN C[C@H](Cc1cccs1)NCc1ccon1 ZINC000122426511 490139205 /nfs/dbraw/zinc/13/92/05/490139205.db2.gz KETSHFXUPDBZQY-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CCC1CCC1 ZINC000595321879 348226691 /nfs/dbraw/zinc/22/66/91/348226691.db2.gz NXJASWXMYVCLEG-ZETOZRRWSA-N 0 1 229.389 2.018 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCC1CCC1 ZINC000595441620 348250264 /nfs/dbraw/zinc/25/02/64/348250264.db2.gz MSQIGAUUJSDGEV-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159134237 348252582 /nfs/dbraw/zinc/25/25/82/348252582.db2.gz KDKORLOPHKCFBY-AWEZNQCLSA-N 0 1 217.312 2.180 20 0 BEADMN CC(C)=CCCN1CC[S@](=O)C[C@H](C)C1 ZINC000595457538 348255415 /nfs/dbraw/zinc/25/54/15/348255415.db2.gz BMBBMEGAOJOVTO-DOMZBBRYSA-N 0 1 229.389 2.043 20 0 BEADMN C[C@@H]1CN(CCCC2CCC2)CC[S@](=O)C1 ZINC000595459624 348256003 /nfs/dbraw/zinc/25/60/03/348256003.db2.gz QNUNRBDSYDTYIM-WBMJQRKESA-N 0 1 243.416 2.267 20 0 BEADMN CC[C@H](CC(F)F)CN(C)[C@H](C)C(=O)OC ZINC000595464083 348257111 /nfs/dbraw/zinc/25/71/11/348257111.db2.gz GIOCJPKLAQGPDD-RKDXNWHRSA-N 0 1 237.290 2.161 20 0 BEADMN CC[C@@H](CN[C@@H](COC)c1ccc(C)o1)OC ZINC000419245238 192114744 /nfs/dbraw/zinc/11/47/44/192114744.db2.gz LGGNGMDPHQVPGP-RYUDHWBXSA-N 0 1 241.331 2.290 20 0 BEADMN COc1cc(CN(C)[C@@H](C)CCSC)on1 ZINC000595374232 348232895 /nfs/dbraw/zinc/23/28/95/348232895.db2.gz XBRRMKQNRQYBOP-VIFPVBQESA-N 0 1 244.360 2.257 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1CC=CC1 ZINC000595345596 348235351 /nfs/dbraw/zinc/23/53/51/348235351.db2.gz DSOLCSYMKIALFM-NSHDSACASA-N 0 1 225.332 2.225 20 0 BEADMN CCCN(C[C@@H](CC)OC)[C@H](C)C(=O)OCC ZINC000419311958 192119678 /nfs/dbraw/zinc/11/96/78/192119678.db2.gz RTFCCYKNBOKVFS-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN COC(=O)C1(N(CCC2CC2)C2CC2)CCC1 ZINC000595539056 348277073 /nfs/dbraw/zinc/27/70/73/348277073.db2.gz XNZFAKXMJFDUMO-UHFFFAOYSA-N 0 1 237.343 2.347 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)[C@H](C)[C@@H](C)O1 ZINC000419259621 192116572 /nfs/dbraw/zinc/11/65/72/192116572.db2.gz PAKGAYOEPLZBTN-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H](C)N(CC)Cc1oncc1C(=O)OC ZINC000595598834 348294693 /nfs/dbraw/zinc/29/46/93/348294693.db2.gz HSKWCGXDVOYYQS-SECBINFHSA-N 0 1 240.303 2.082 20 0 BEADMN CC[C@H](NCc1nnc(C)o1)[C@H]1CC1(C)C ZINC000419319561 192121130 /nfs/dbraw/zinc/12/11/30/192121130.db2.gz WBSWTRJJQCBIEQ-ZJUUUORDSA-N 0 1 223.320 2.292 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@@H]3C[C@@H]3C2)o1 ZINC000595809533 348349335 /nfs/dbraw/zinc/34/93/35/348349335.db2.gz GVUPLTAFOOATOU-GHMZBOCLSA-N 0 1 249.310 2.298 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]3C[C@H]3C2)c(C)o1 ZINC000595808674 348349452 /nfs/dbraw/zinc/34/94/52/348349452.db2.gz PBLJQCOUZMOBQD-JQWIXIFHSA-N 0 1 249.310 2.216 20 0 BEADMN C[C@H](NCC1(C)CCC1)c1csnn1 ZINC000398355870 323185420 /nfs/dbraw/zinc/18/54/20/323185420.db2.gz ZKTQGEZIHDGAND-QMMMGPOBSA-N 0 1 211.334 2.379 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000595831506 348365806 /nfs/dbraw/zinc/36/58/06/348365806.db2.gz DFVPHXAWZJJPOY-CMPLNLGQSA-N 0 1 225.332 2.060 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000595832974 348366406 /nfs/dbraw/zinc/36/64/06/348366406.db2.gz LBSFNYVZRCQBBB-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@@H](C(N)=O)c1ccccc1 ZINC000419355889 192126873 /nfs/dbraw/zinc/12/68/73/192126873.db2.gz SATPIQGNLPCARI-MGPQQGTHSA-N 0 1 246.354 2.237 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419358017 192127256 /nfs/dbraw/zinc/12/72/56/192127256.db2.gz PSMJYNXWURVYKK-GWOFURMSSA-N 0 1 249.362 2.045 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC2CC1(C)C2 ZINC000595916362 348400626 /nfs/dbraw/zinc/40/06/26/348400626.db2.gz QSHOXZBQVFRKCR-QWKFWESOSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@H](C)[C@H]2C)[nH]1 ZINC000419359909 192127399 /nfs/dbraw/zinc/12/73/99/192127399.db2.gz RSKRNNAPGGUFBZ-GARJFASQSA-N 0 1 236.363 2.404 20 0 BEADMN CCc1nnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)o1 ZINC000419397078 192131322 /nfs/dbraw/zinc/13/13/22/192131322.db2.gz UELCLOQZKQFNLI-IVZWLZJFSA-N 0 1 223.320 2.108 20 0 BEADMN C[C@@H]1CN(Cc2cnns2)[C@@H](C)[C@H]1C ZINC000419365747 192128020 /nfs/dbraw/zinc/12/80/20/192128020.db2.gz YEORSKVASWUIDS-VGMNWLOBSA-N 0 1 211.334 2.014 20 0 BEADMN COCCNCc1ncc(C(C)(C)C)s1 ZINC000205283810 348483907 /nfs/dbraw/zinc/48/39/07/348483907.db2.gz GQFBGIOPWOUOFB-UHFFFAOYSA-N 0 1 228.361 2.177 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccc(F)cc2)n[nH]1 ZINC000603522342 349991273 /nfs/dbraw/zinc/99/12/73/349991273.db2.gz WMFPGNMMTDIGGH-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN CCc1cnc(CN2CC[C@H](C3CC3)C2)o1 ZINC000535727181 323189278 /nfs/dbraw/zinc/18/92/78/323189278.db2.gz UONOTRAFAZXEAC-NSHDSACASA-N 0 1 220.316 2.469 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000628300775 348593413 /nfs/dbraw/zinc/59/34/13/348593413.db2.gz WCQFMJMKAAXHDZ-NSHDSACASA-N 0 1 236.315 2.067 20 0 BEADMN CCOC(=O)c1cc(-c2cccc(CC)n2)n[nH]1 ZINC000596645781 348603637 /nfs/dbraw/zinc/60/36/37/348603637.db2.gz GEIBQLDDAFBVRR-UHFFFAOYSA-N 0 1 245.282 2.211 20 0 BEADMN COC(=O)c1ccc(CN[C@H](C)CF)cc1F ZINC000597133429 348660375 /nfs/dbraw/zinc/66/03/75/348660375.db2.gz RMCODGBNBIOIQC-MRVPVSSYSA-N 0 1 243.253 2.060 20 0 BEADMN CC/C=C/CNCc1cc(C)c(C(=O)OC)o1 ZINC000597138973 348661713 /nfs/dbraw/zinc/66/17/13/348661713.db2.gz VTEBAFUOULWMGW-AATRIKPKSA-N 0 1 237.299 2.430 20 0 BEADMN CCCn1nccc1CN(C)CCCSC ZINC000597126539 348664263 /nfs/dbraw/zinc/66/42/63/348664263.db2.gz PEAURCLJQRSSEK-UHFFFAOYSA-N 0 1 241.404 2.478 20 0 BEADMN COC(=O)c1oc(CN[C@@H]2CC23CC3)cc1C ZINC000597157890 348665881 /nfs/dbraw/zinc/66/58/81/348665881.db2.gz UZEAFKPOWOVQMU-SNVBAGLBSA-N 0 1 235.283 2.017 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cocn1 ZINC000605893177 348814692 /nfs/dbraw/zinc/81/46/92/348814692.db2.gz PZTGWIHAKZTMKI-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN CCN(Cc1cccs1)c1nccnc1CN ZINC000054377625 1172108565 /nfs/dbraw/zinc/10/85/65/1172108565.db2.gz RIFUSOGIXBTBMG-UHFFFAOYSA-N 0 1 248.355 2.023 20 0 BEADMN COC(=O)c1cc(CN2CCC2(C)C)oc1C ZINC000536681517 323200843 /nfs/dbraw/zinc/20/08/43/323200843.db2.gz YHTZKPWSTPUKSF-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)C ZINC000078653576 490210762 /nfs/dbraw/zinc/21/07/62/490210762.db2.gz HDBZPKNDQOZVJT-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)[C@H](C)N(C)C ZINC000078748179 490226364 /nfs/dbraw/zinc/22/63/64/490226364.db2.gz KOBOTRFCHXAGEN-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1CC[C@](C)(O)C1 ZINC000248370430 349124569 /nfs/dbraw/zinc/12/45/69/349124569.db2.gz XMXYQUYMHDXNGH-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccs2)C1 ZINC000062936342 349125102 /nfs/dbraw/zinc/12/51/02/349125102.db2.gz QDFMQNJUSVJPLQ-NSHDSACASA-N 0 1 225.313 2.045 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCCCCF ZINC000308926501 349130468 /nfs/dbraw/zinc/13/04/68/349130468.db2.gz MGGWEKWJCCLOJY-JTQLQIEISA-N 0 1 217.284 2.065 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000421830243 192388534 /nfs/dbraw/zinc/38/85/34/192388534.db2.gz BFOMFIJCLSAFMO-RKDXNWHRSA-N 0 1 228.723 2.421 20 0 BEADMN CCOC(=O)CN(CC1CC(C)(C)C1)C1CC1 ZINC000599283157 349139957 /nfs/dbraw/zinc/13/99/57/349139957.db2.gz ZVWJGHICBYDHQF-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCF ZINC000250847801 349180334 /nfs/dbraw/zinc/18/03/34/349180334.db2.gz NLBOIHVSMYDICU-MXWKQRLJSA-N 0 1 229.295 2.064 20 0 BEADMN CCC[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251295384 349185412 /nfs/dbraw/zinc/18/54/12/349185412.db2.gz IHDUWHJFQSORRO-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CC ZINC000251333307 349185964 /nfs/dbraw/zinc/18/59/64/349185964.db2.gz NRGCZGSDYUDMKE-ZJUUUORDSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)cc(C)n1 ZINC000421857740 192390275 /nfs/dbraw/zinc/39/02/75/192390275.db2.gz PQTHYQCGSZXHQZ-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)C[C@H]1C ZINC000253076183 349226486 /nfs/dbraw/zinc/22/64/86/349226486.db2.gz RBKULNCKJUVYES-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@]1(C)CCC[C@@H]1C ZINC000336240486 179853506 /nfs/dbraw/zinc/85/35/06/179853506.db2.gz BYFVETIYWUJZNY-TVQRCGJNSA-N 0 1 235.331 2.161 20 0 BEADMN CCc1cnc(CNC2(C3CC3)CC2)o1 ZINC000309053485 323221103 /nfs/dbraw/zinc/22/11/03/323221103.db2.gz SGGLOZFEFATIJA-UHFFFAOYSA-N 0 1 206.289 2.269 20 0 BEADMN CC1(C)C[C@H](NCc2ccncc2Cl)CO1 ZINC000396622392 349287268 /nfs/dbraw/zinc/28/72/68/349287268.db2.gz XQCVEDOLCIYRDZ-JTQLQIEISA-N 0 1 240.734 2.392 20 0 BEADMN OCC[C@@H]1CCCCCN1Cc1cscn1 ZINC000342030063 538040802 /nfs/dbraw/zinc/04/08/02/538040802.db2.gz HSMQSZOKCPOTBJ-LBPRGKRZSA-N 0 1 240.372 2.270 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000070499494 350014692 /nfs/dbraw/zinc/01/46/92/350014692.db2.gz NEZNFSSMPXUULH-UHFFFAOYSA-N 0 1 245.322 2.224 20 0 BEADMN Cc1ccc(F)c(NC(=O)CN(C)C(C)C)c1 ZINC000063501255 191001374 /nfs/dbraw/zinc/00/13/74/191001374.db2.gz FNUQOFUOPAMMSG-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2cscn2)CCO1 ZINC000069891458 191002703 /nfs/dbraw/zinc/00/27/03/191002703.db2.gz JGZOVWAANYXJGI-JQWIXIFHSA-N 0 1 240.372 2.436 20 0 BEADMN CCSCCCNCc1ncnn1C(C)C ZINC000300880614 349413179 /nfs/dbraw/zinc/41/31/79/349413179.db2.gz GCFFAJWMSQBQTK-UHFFFAOYSA-N 0 1 242.392 2.092 20 0 BEADMN CO[C@@H]1CCC[C@H](N[C@@H](C)C(F)F)C1 ZINC000389931715 490275304 /nfs/dbraw/zinc/27/53/04/490275304.db2.gz IZVPHYDHJXCYKR-XHNCKOQMSA-N 0 1 207.264 2.187 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000216612724 490285490 /nfs/dbraw/zinc/28/54/90/490285490.db2.gz QBXBXUOHKNIFPS-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000309158514 350108952 /nfs/dbraw/zinc/10/89/52/350108952.db2.gz FGDMXMUNJSBBMP-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN Cc1nnc(NC(=O)C2(C)CCCCCC2)[nH]1 ZINC000181937774 180005892 /nfs/dbraw/zinc/00/58/92/180005892.db2.gz GBIXCOBHTVANJW-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN Cc1nnc(NC(=O)C[C@H](C)c2ccccc2)[nH]1 ZINC000103253497 180007170 /nfs/dbraw/zinc/00/71/70/180007170.db2.gz OVTPKYPMFUAXDC-VIFPVBQESA-N 0 1 244.298 2.245 20 0 BEADMN Cc1nnc(NC(=O)c2cc(C)c(F)c(C)c2)[nH]1 ZINC000163625091 180013950 /nfs/dbraw/zinc/01/39/50/180013950.db2.gz ZJMWZQILRYRVOI-UHFFFAOYSA-N 0 1 248.261 2.121 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000163625091 180013953 /nfs/dbraw/zinc/01/39/53/180013953.db2.gz ZJMWZQILRYRVOI-UHFFFAOYSA-N 0 1 248.261 2.121 20 0 BEADMN Cc1nnc(NC(=O)c2ccc(C(C)C)cc2)[nH]1 ZINC000103252894 180015184 /nfs/dbraw/zinc/01/51/84/180015184.db2.gz MQZLNGLZXLQMSH-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000103252894 180015187 /nfs/dbraw/zinc/01/51/87/180015187.db2.gz MQZLNGLZXLQMSH-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN C[N@H+](Cc1ccc(F)cc1C(=O)[O-])CC1CC1 ZINC000071264841 350095927 /nfs/dbraw/zinc/09/59/27/350095927.db2.gz RAWMKWRDTRJENF-UHFFFAOYSA-N 0 1 237.274 2.366 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2cnccc2C)n[nH]1 ZINC000331318911 180032531 /nfs/dbraw/zinc/03/25/31/180032531.db2.gz DQHZHAUDXMYARO-SNVBAGLBSA-N 0 1 245.330 2.010 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000334666178 180034657 /nfs/dbraw/zinc/03/46/57/180034657.db2.gz POFLEYFKXQNORR-NOZJJQNGSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@@H](C)N2CCc3c2cccc3F)n[nH]1 ZINC000336284160 180035506 /nfs/dbraw/zinc/03/55/06/180035506.db2.gz UERGLYXGVSLRLK-MRVPVSSYSA-N 0 1 246.289 2.376 20 0 BEADMN Cc1nc([C@@H](C)S[C@H]2CCCOC2)n[nH]1 ZINC000334030131 180039844 /nfs/dbraw/zinc/03/98/44/180039844.db2.gz KEMKYICMIGRREX-APPZFPTMSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@@H](C)SC2CCOCC2)n[nH]1 ZINC000333689538 180040431 /nfs/dbraw/zinc/04/04/31/180040431.db2.gz ATNNQAXDLWXNNB-SSDOTTSWSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2ccoc2C)n[nH]1 ZINC000331345495 180047436 /nfs/dbraw/zinc/04/74/36/180047436.db2.gz LQPWLTBIHBFWHE-QMMMGPOBSA-N 0 1 234.303 2.208 20 0 BEADMN CC(C)[N@@H+](CC(=O)N1CCC[C@@H](C)C1)C1CC1 ZINC000078534302 350118366 /nfs/dbraw/zinc/11/83/66/350118366.db2.gz CJNZOYSHDRIQKJ-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)CCCO)cs1 ZINC000087358133 180051749 /nfs/dbraw/zinc/05/17/49/180051749.db2.gz UAGBZTMPCCBXGA-BDAKNGLRSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nc2cccc(C(=O)NCC(C)C)c2[nH]1 ZINC000074732523 180062074 /nfs/dbraw/zinc/06/20/74/180062074.db2.gz IVSTZKHOAWTDCD-UHFFFAOYSA-N 0 1 231.299 2.257 20 0 BEADMN Cc1nc2cccc(C(=O)NCC3CC3)c2[nH]1 ZINC000283459977 180062830 /nfs/dbraw/zinc/06/28/30/180062830.db2.gz LMRQOILFRDZPIU-UHFFFAOYSA-N 0 1 229.283 2.011 20 0 BEADMN Cc1cc(CNCCSCC(C)C)on1 ZINC000397244186 350161957 /nfs/dbraw/zinc/16/19/57/350161957.db2.gz MYKOBHLEAZRLJI-UHFFFAOYSA-N 0 1 228.361 2.462 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)[nH]1 ZINC000354724591 180128980 /nfs/dbraw/zinc/12/89/80/180128980.db2.gz DMUFJLIZQPCIFH-UTLUCORTSA-N 0 1 235.331 2.225 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000426981732 191050364 /nfs/dbraw/zinc/05/03/64/191050364.db2.gz PSVKROLZIZCNJM-DGCLKSJQSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1Cc1ncnn1C ZINC000426995124 191051104 /nfs/dbraw/zinc/05/11/04/191051104.db2.gz MWMHJKQCEWJOPM-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1Cc1ncnn1C ZINC000426995123 191051255 /nfs/dbraw/zinc/05/12/55/191051255.db2.gz MWMHJKQCEWJOPM-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ncc(CN(C(C)C)[C@@H]2CCOC2)s1 ZINC000361066355 180136499 /nfs/dbraw/zinc/13/64/99/180136499.db2.gz NWWGWHSEBGZVLN-LLVKDONJSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1cnc(C(=O)Nc2cccnc2C)c(O)c1 ZINC000427246793 191057811 /nfs/dbraw/zinc/05/78/11/191057811.db2.gz TVAYGIJNDIGEFR-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1ncc(C(=O)N2CCCCC[C@H]2C)[nH]1 ZINC000336336443 180124858 /nfs/dbraw/zinc/12/48/58/180124858.db2.gz SSYPUFUDROOQAS-SECBINFHSA-N 0 1 221.304 2.123 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000335515830 180126609 /nfs/dbraw/zinc/12/66/09/180126609.db2.gz ADAOIBDPQQZXCB-JQWIXIFHSA-N 0 1 233.315 2.123 20 0 BEADMN Cc1ncc(CNCc2ccsc2)cn1 ZINC000336736262 180153891 /nfs/dbraw/zinc/15/38/91/180153891.db2.gz PCOWCBTVEMZVQU-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN Cc1ncc(CN[C@@H](C)CC(F)(F)F)cn1 ZINC000309359700 180154488 /nfs/dbraw/zinc/15/44/88/180154488.db2.gz AIAMDLDZUTWZPT-ZETCQYMHSA-N 0 1 233.237 2.216 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccn(C)c2)c(C)n1 ZINC000158500452 180171836 /nfs/dbraw/zinc/17/18/36/180171836.db2.gz ZKWZLLVIDXCOFU-SNVBAGLBSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ncc(CNc2ccnc(C)c2Cl)o1 ZINC000334730635 180147792 /nfs/dbraw/zinc/14/77/92/180147792.db2.gz XZAQVQFSOQCSKG-UHFFFAOYSA-N 0 1 237.690 2.374 20 0 BEADMN CC(C)c1nc(C[S@](=O)[C@@H](C)C(C)C)n[nH]1 ZINC000427467649 191077125 /nfs/dbraw/zinc/07/71/25/191077125.db2.gz UORPKKKOPOZSKA-FVMDXXJSSA-N 0 1 243.376 2.221 20 0 BEADMN Cc1nccc(N2C[C@@H](O)C[C@@H]2C)c1Cl ZINC000334307674 180195094 /nfs/dbraw/zinc/19/50/94/180195094.db2.gz DZAASFNTWUTYBB-CBAPKCEASA-N 0 1 226.707 2.003 20 0 BEADMN Cc1nccc(NCCCCO)c1Cl ZINC000308644210 180198912 /nfs/dbraw/zinc/19/89/12/180198912.db2.gz GCIFNFOYGLQRGC-UHFFFAOYSA-N 0 1 214.696 2.228 20 0 BEADMN Cc1nccc(NC[C@@H](O)C2CC2)c1Cl ZINC000308868395 180201541 /nfs/dbraw/zinc/20/15/41/180201541.db2.gz RJPIJJKURGODNT-SNVBAGLBSA-N 0 1 226.707 2.226 20 0 BEADMN Cc1nccc(N[C@@H](C)CCO)c1Cl ZINC000306221579 180203560 /nfs/dbraw/zinc/20/35/60/180203560.db2.gz PRXWHDIFMIMDFT-ZETCQYMHSA-N 0 1 214.696 2.226 20 0 BEADMN Cc1nccc(N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270701183 180203930 /nfs/dbraw/zinc/20/39/30/180203930.db2.gz INEYBANNTZGAEN-QMMMGPOBSA-N 0 1 246.318 2.200 20 0 BEADMN Cc1ncccc1CN(C)C[C@@H]1CCCO1 ZINC000128104394 180218673 /nfs/dbraw/zinc/21/86/73/180218673.db2.gz FVNVHPDYDBHBCR-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000068334949 350230294 /nfs/dbraw/zinc/23/02/94/350230294.db2.gz QGFONIVUVJSCCR-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN c1ccc2ncc(CN3CCCOCC3)cc2c1 ZINC000334816569 538077204 /nfs/dbraw/zinc/07/72/04/538077204.db2.gz LCLIBONEQMPSKG-UHFFFAOYSA-N 0 1 242.322 2.457 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)CC(C)(C)O ZINC000428206793 191091164 /nfs/dbraw/zinc/09/11/64/191091164.db2.gz NWMXFAJXEJLJAK-UHFFFAOYSA-N 0 1 240.347 2.309 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000034507671 350267165 /nfs/dbraw/zinc/26/71/65/350267165.db2.gz POOCCZRBFJANIC-GXTWGEPZSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccccc1 ZINC000034507671 350267169 /nfs/dbraw/zinc/26/71/69/350267169.db2.gz POOCCZRBFJANIC-GXTWGEPZSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000223332849 350273501 /nfs/dbraw/zinc/27/35/01/350273501.db2.gz BNBFKWFKHCWKEZ-DTWKUNHWSA-N 0 1 227.270 2.278 20 0 BEADMN CCN1CCN(C(=O)CC2CCCC2)[C@H](C)C1 ZINC000335102275 350274330 /nfs/dbraw/zinc/27/43/30/350274330.db2.gz GXLLGTDZQAVEBT-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)CC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000514617157 323326789 /nfs/dbraw/zinc/32/67/89/323326789.db2.gz SRWKRIMYYVHSLB-SNVBAGLBSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1cnc(NC(=O)[C@H](N)c2ccccc2)s1 ZINC000019471338 350346337 /nfs/dbraw/zinc/34/63/37/350346337.db2.gz KBGYROMWTPFDIU-SNVBAGLBSA-N 0 1 247.323 2.090 20 0 BEADMN Cc1ncsc1CN(C)[C@H]1CCCOC1 ZINC000336554127 180317056 /nfs/dbraw/zinc/31/70/56/180317056.db2.gz WVQYCSDKUOKJDD-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncsc1CCN1CC[C@@H](F)C1 ZINC000334702486 180308467 /nfs/dbraw/zinc/30/84/67/180308467.db2.gz RRYGOAUYKIYPSC-SECBINFHSA-N 0 1 214.309 2.038 20 0 BEADMN Cc1ncsc1CCN[C@H](C)c1ccon1 ZINC000309360447 180310597 /nfs/dbraw/zinc/31/05/97/180310597.db2.gz AKWQTNUGSQXAKV-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000606439501 350333781 /nfs/dbraw/zinc/33/37/81/350333781.db2.gz CPWWGKNEWKMJLH-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN O=C(N[C@@]12C[C@@H]1CCC2)c1cccc2nc[nH]c21 ZINC000617211625 350380903 /nfs/dbraw/zinc/38/09/03/350380903.db2.gz MYXSYCXHVAMLLC-XPTSAGLGSA-N 0 1 241.294 2.235 20 0 BEADMN Cc1ncsc1CNC(C)(C)CF ZINC000308370613 180320090 /nfs/dbraw/zinc/32/00/90/180320090.db2.gz KOTXRDYCXDJKOQ-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN Cc1ccc(F)c(C[NH2+][C@H](C)CN(C)C)c1 ZINC000162755191 350415970 /nfs/dbraw/zinc/41/59/70/350415970.db2.gz IEPLCXQFBIOCLN-LLVKDONJSA-N 0 1 224.323 2.174 20 0 BEADMN CCN(Cc1ncc(C)cn1)CC1CC1 ZINC000336651285 350419209 /nfs/dbraw/zinc/41/92/09/350419209.db2.gz UZDYFWLQAXSVDK-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN CCN(Cc1cccc(C)n1)[C@H]1CCOC1 ZINC000336667769 350428097 /nfs/dbraw/zinc/42/80/97/350428097.db2.gz GWRGDTFBZIAIKC-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1nn(C)cc1CNc1nccn1CC(C)C ZINC000232686087 180375311 /nfs/dbraw/zinc/37/53/11/180375311.db2.gz QULCXMVCSMUXKW-UHFFFAOYSA-N 0 1 247.346 2.193 20 0 BEADMN CC[C@@H](NCc1[nH]ncc1C)C(F)(F)F ZINC000336772641 350508155 /nfs/dbraw/zinc/50/81/55/350508155.db2.gz XWLSUKDISNUTLV-MRVPVSSYSA-N 0 1 221.226 2.149 20 0 BEADMN C[C@H](F)CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000577499933 365970723 /nfs/dbraw/zinc/97/07/23/365970723.db2.gz LQPLPGSOWQMAFA-QCNOEVLYSA-N 0 1 243.322 2.452 20 0 BEADMN Cc1cccn2cc(CN(C)C3CC3)nc12 ZINC000051902362 350568581 /nfs/dbraw/zinc/56/85/81/350568581.db2.gz HFAIUXTUJCEHSW-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN CC(C)[C@@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000334656224 191111210 /nfs/dbraw/zinc/11/12/10/191111210.db2.gz ODYQHEMQMMDUQQ-NSHDSACASA-N 0 1 233.302 2.389 20 0 BEADMN CC(C)O[C@@H]1CCN(Cc2cncs2)C1 ZINC000577512665 365975462 /nfs/dbraw/zinc/97/54/62/365975462.db2.gz DYQSLSZTYZAMSZ-SNVBAGLBSA-N 0 1 226.345 2.142 20 0 BEADMN C[C@H](Nc1nc2cccc(F)c2o1)c1nnc[nH]1 ZINC001639728288 1172131682 /nfs/dbraw/zinc/13/16/82/1172131682.db2.gz DUCLTWNUUIZMSU-LURJTMIESA-N 0 1 247.233 2.258 20 0 BEADMN Fc1cccc(C2(NCc3cn[nH]c3)CC2)c1 ZINC000606917193 350625230 /nfs/dbraw/zinc/62/52/30/350625230.db2.gz WOLMTVJYXOOXGV-UHFFFAOYSA-N 0 1 231.274 2.328 20 0 BEADMN CC1(C)CCN(Cc2ccncc2F)C1 ZINC000336215373 350746022 /nfs/dbraw/zinc/74/60/22/350746022.db2.gz DGUUXZPHWWIJPF-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177481644 366003308 /nfs/dbraw/zinc/00/33/08/366003308.db2.gz SAXBVVDOCKOUDE-RKDXNWHRSA-N 0 1 233.315 2.300 20 0 BEADMN CC1(C)CCC[C@H](C(=O)NCCN2CCC2)C1 ZINC000339490920 350761538 /nfs/dbraw/zinc/76/15/38/350761538.db2.gz RWGSLGARXXJBRZ-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1nc(C(C)C)ccc1CN(C)CCO ZINC000338903301 350718400 /nfs/dbraw/zinc/71/84/00/350718400.db2.gz YHFKPMLKIKAUQM-UHFFFAOYSA-N 0 1 236.359 2.192 20 0 BEADMN Cc1ncc(CNC(C)(C)COC(C)C)o1 ZINC000628312316 350812826 /nfs/dbraw/zinc/81/28/26/350812826.db2.gz XGOZIXRIHVKQRI-UHFFFAOYSA-N 0 1 226.320 2.276 20 0 BEADMN Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000052211999 350939595 /nfs/dbraw/zinc/93/95/95/350939595.db2.gz RWBRDORNWKFQIO-CQSZACIVSA-N 0 1 246.354 2.220 20 0 BEADMN C[C@H]1C[C@H](N2CCCC(=O)C2)C[C@@H](C)C1 ZINC000252179002 350909091 /nfs/dbraw/zinc/90/90/91/350909091.db2.gz SOUNGPLCLPETIZ-GDNZZTSVSA-N 0 1 209.333 2.476 20 0 BEADMN COCCN(C)[C@@H](C)c1ccccc1F ZINC000052073707 350929265 /nfs/dbraw/zinc/92/92/65/350929265.db2.gz KDJNOHWJDVSAIJ-JTQLQIEISA-N 0 1 211.280 2.465 20 0 BEADMN COC(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000052106065 350938497 /nfs/dbraw/zinc/93/84/97/350938497.db2.gz VORAZSHAUSLQJD-AWEZNQCLSA-N 0 1 247.338 2.257 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]2CC(C)C)n[nH]1 ZINC000128899544 350886660 /nfs/dbraw/zinc/88/66/60/350886660.db2.gz DVXFIXXBPLKIHL-NSHDSACASA-N 0 1 235.331 2.369 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C12CC(C1)C2 ZINC000626334664 350979891 /nfs/dbraw/zinc/97/98/91/350979891.db2.gz QCDXQUFCSBBCQI-UHFFFAOYSA-N 0 1 241.241 2.394 20 0 BEADMN CCc1nc(C)c(CN[C@H](C)[C@H](C)OC)o1 ZINC000291818048 350989208 /nfs/dbraw/zinc/98/92/08/350989208.db2.gz DIGRHTIMGPAGRI-SCZZXKLOSA-N 0 1 226.320 2.058 20 0 BEADMN Cc1cccc(NC[C@@H]2CCOC[C@H]2C)n1 ZINC000309503414 191127188 /nfs/dbraw/zinc/12/71/88/191127188.db2.gz VHLGKTBSODEPQT-PWSUYJOCSA-N 0 1 220.316 2.475 20 0 BEADMN CCN(C(=O)CN(C)CC1CC1)c1ccccc1 ZINC000052128293 350951361 /nfs/dbraw/zinc/95/13/61/350951361.db2.gz MOHGHVDTEYDBET-UHFFFAOYSA-N 0 1 246.354 2.381 20 0 BEADMN C/C=C\CNCc1c(C(F)(F)F)cnn1C ZINC000623740386 351052252 /nfs/dbraw/zinc/05/22/52/351052252.db2.gz UOVRADJXUFEDQK-ARJAWSKDSA-N 0 1 233.237 2.105 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1CC12CC2 ZINC000628318822 351106338 /nfs/dbraw/zinc/10/63/38/351106338.db2.gz VSFNXIDXYRBVFB-JTQLQIEISA-N 0 1 204.273 2.194 20 0 BEADMN CC(C)N(C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000070944176 351126345 /nfs/dbraw/zinc/12/63/45/351126345.db2.gz CWVMTMHZOBEPBI-GFCCVEGCSA-N 0 1 246.354 2.304 20 0 BEADMN CC1(C)CCC(C[NH2+]Cc2cnn[n-]2)CC1 ZINC000398428686 351155370 /nfs/dbraw/zinc/15/53/70/351155370.db2.gz YYGJQPJZKRGJHL-UHFFFAOYSA-N 0 1 222.336 2.111 20 0 BEADMN Fc1cccc(CSc2cn[nH]n2)c1 ZINC000071258502 351160712 /nfs/dbraw/zinc/16/07/12/351160712.db2.gz YPGIFAOCJJXROD-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])CC1CC(F)(F)C1 ZINC000383017541 351166422 /nfs/dbraw/zinc/16/64/22/351166422.db2.gz FTRHZKJMQPESOA-UHFFFAOYSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1cc(Cl)cc(CNCc2c[nH]nn2)c1 ZINC000398384848 351127820 /nfs/dbraw/zinc/12/78/20/351127820.db2.gz IIKKSYUUKBPTBT-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN Cc1cc(COCCc2c[nH]nn2)c(C)s1 ZINC000571626589 351128304 /nfs/dbraw/zinc/12/83/04/351128304.db2.gz WEMFQFAXXBJNSN-UHFFFAOYSA-N 0 1 237.328 2.242 20 0 BEADMN Cc1ncc(CNC[C@H]2CCC[C@H](C)O2)o1 ZINC000628339196 351283087 /nfs/dbraw/zinc/28/30/87/351283087.db2.gz IACFZULTKMHUGE-GXSJLCMTSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(C[N@@H+](C)CCC(=O)[O-])ccc1F ZINC000083410330 351266770 /nfs/dbraw/zinc/26/67/70/351266770.db2.gz MNWMSRDIGRSMNB-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN CC(C)n1ncnc1CNCCCc1ccco1 ZINC000631178333 351375738 /nfs/dbraw/zinc/37/57/38/351375738.db2.gz XAZMMLGQVQCJOM-UHFFFAOYSA-N 0 1 248.330 2.174 20 0 BEADMN CC[C@@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000270741832 351386294 /nfs/dbraw/zinc/38/62/94/351386294.db2.gz AEFNCJKQXUERDN-LLVKDONJSA-N 0 1 207.321 2.042 20 0 BEADMN Cc1ccnc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000336666396 191134598 /nfs/dbraw/zinc/13/45/98/191134598.db2.gz GEKVNBMAGCXBPH-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN CCC[C@@H](CNCc1nccn1CC)OCC ZINC000623599126 363036588 /nfs/dbraw/zinc/03/65/88/363036588.db2.gz YPZJGVYABSZXTD-LBPRGKRZSA-N 0 1 239.363 2.198 20 0 BEADMN CCC[C@@H](CNCc1cc(C)n(C)n1)OCC ZINC000623600042 363037456 /nfs/dbraw/zinc/03/74/56/363037456.db2.gz YMACSNIPFJJJHK-ZDUSSCGKSA-N 0 1 239.363 2.023 20 0 BEADMN CCc1nc(C)c(CN[C@@H](CC)COC)o1 ZINC000291957880 351523206 /nfs/dbraw/zinc/52/32/06/351523206.db2.gz RMWCSWUMOPFQJY-JTQLQIEISA-N 0 1 226.320 2.060 20 0 BEADMN CCCC[C@H](C(=O)OC)N(C)CC(C)(C)OC ZINC000404239685 363058572 /nfs/dbraw/zinc/05/85/72/363058572.db2.gz OGDBFWUEJJRNMF-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN CCN(Cc1cn(C)nc1C(F)F)C1CC1 ZINC000274482723 351570495 /nfs/dbraw/zinc/57/04/95/351570495.db2.gz MXFIJSUCXARFIG-UHFFFAOYSA-N 0 1 229.274 2.342 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cnc(Cl)cn1 ZINC000307205207 351608080 /nfs/dbraw/zinc/60/80/80/351608080.db2.gz GKZHWXUWTAXPDP-DTWKUNHWSA-N 0 1 225.723 2.360 20 0 BEADMN CC[C@@H](Sc1c[nH]nn1)C(=O)OC(C)(C)C ZINC000276497386 351626655 /nfs/dbraw/zinc/62/66/55/351626655.db2.gz AZHIBHJGMMFALJ-SSDOTTSWSA-N 0 1 243.332 2.017 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000577647081 366030964 /nfs/dbraw/zinc/03/09/64/366030964.db2.gz GCRYGJWPKCQDTQ-QWRGUYRKSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000637833874 351688048 /nfs/dbraw/zinc/68/80/48/351688048.db2.gz VSQBDKUZYBRHNG-LLVKDONJSA-N 0 1 248.326 2.085 20 0 BEADMN CC(C)N(C)[C@H](c1nccn1C)C1CC1 ZINC000637837577 351692263 /nfs/dbraw/zinc/69/22/63/351692263.db2.gz HQEVHJPNXIAXBO-NSHDSACASA-N 0 1 207.321 2.211 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@@H](C(C)(C)C)C2)O1 ZINC000577703624 366040004 /nfs/dbraw/zinc/04/00/04/366040004.db2.gz FPRGHVQNYUASSM-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCCCCC1 ZINC000637866728 351727323 /nfs/dbraw/zinc/72/73/23/351727323.db2.gz CIMIMDKASJNVCG-UHFFFAOYSA-N 0 1 236.315 2.063 20 0 BEADMN CO[C@@]1(C)C[C@@H](N(C)Cc2ccno2)C1(C)C ZINC000072897816 351735903 /nfs/dbraw/zinc/73/59/03/351735903.db2.gz OLDDJGGOGPPWTG-YPMHNXCESA-N 0 1 238.331 2.310 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000177845691 366063960 /nfs/dbraw/zinc/06/39/60/366063960.db2.gz OTCYIGJXALWZSC-QMMMGPOBSA-N 0 1 232.287 2.189 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCCC[C@H]1C ZINC000637875574 351744320 /nfs/dbraw/zinc/74/43/20/351744320.db2.gz OZJOXKDCVCOZGX-SNVBAGLBSA-N 0 1 236.315 2.061 20 0 BEADMN CC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000347936178 366073360 /nfs/dbraw/zinc/07/33/60/366073360.db2.gz XSICNFIVQSJUKT-CHWSQXEVSA-N 0 1 240.391 2.271 20 0 BEADMN c1cc(CN[C@@H]2CC23CCCCC3)n[nH]1 ZINC000386953291 363089026 /nfs/dbraw/zinc/08/90/26/363089026.db2.gz XEPSYSWCCXBCNO-LLVKDONJSA-N 0 1 205.305 2.222 20 0 BEADMN Cc1cc(CN)oc1C(=O)N(C)CCC(C)C ZINC000637917050 351794254 /nfs/dbraw/zinc/79/42/54/351794254.db2.gz JTDGIONOXMOMFL-UHFFFAOYSA-N 0 1 238.331 2.165 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CC)C1CC1 ZINC000618864686 351800104 /nfs/dbraw/zinc/80/01/04/351800104.db2.gz MHAPNZILPJQMNT-CHWSQXEVSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H](C)C(C)C)n[nH]1 ZINC000031715349 351757859 /nfs/dbraw/zinc/75/78/59/351757859.db2.gz FGZJOTHDPKPHAI-VIFPVBQESA-N 0 1 223.320 2.089 20 0 BEADMN CO[C@H](CNCc1cn2ccccc2n1)C(C)C ZINC000072924759 351763887 /nfs/dbraw/zinc/76/38/87/351763887.db2.gz YRVKNCVDRPVBSG-CYBMUJFWSA-N 0 1 247.342 2.095 20 0 BEADMN CC[C@@H]1CCCN1C(=O)c1oc(CN)cc1C ZINC000637944310 351819716 /nfs/dbraw/zinc/81/97/16/351819716.db2.gz KIXQSKDGNQTPER-SNVBAGLBSA-N 0 1 236.315 2.061 20 0 BEADMN CC[C@H](NC(=O)CCc1cnc[nH]1)[C@H]1CC1(C)C ZINC000577840446 366078857 /nfs/dbraw/zinc/07/88/57/366078857.db2.gz XMFMCXLBUBWTTD-NEPJUHHUSA-N 0 1 249.358 2.283 20 0 BEADMN c1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)sn1 ZINC000637952531 351827694 /nfs/dbraw/zinc/82/76/94/351827694.db2.gz RWLQCVYOBSMMGO-SNVBAGLBSA-N 0 1 248.355 2.246 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000279903296 351828373 /nfs/dbraw/zinc/82/83/73/351828373.db2.gz MTHDCBIQMLRDBI-ZYHUDNBSSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1CC[C@@](C)(O)C1 ZINC000178014797 366076485 /nfs/dbraw/zinc/07/64/85/366076485.db2.gz XMXYQUYMHDXNGH-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@](C)(O)C1 ZINC000178014784 366076815 /nfs/dbraw/zinc/07/68/15/366076815.db2.gz XMXYQUYMHDXNGH-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN CC(C)C1(CN(C)Cc2cnccn2)CC1 ZINC000637980239 351857370 /nfs/dbraw/zinc/85/73/70/351857370.db2.gz YHSKUJMNEFLTHH-UHFFFAOYSA-N 0 1 219.332 2.345 20 0 BEADMN CCCC(C)(C)NC(=O)c1oc(CN)cc1C ZINC000637966882 351840855 /nfs/dbraw/zinc/84/08/55/351840855.db2.gz FIHVKVWJRUJJNM-UHFFFAOYSA-N 0 1 238.331 2.355 20 0 BEADMN CC[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000618867263 351848830 /nfs/dbraw/zinc/84/88/30/351848830.db2.gz DUOGMLNCOHOKAO-NTZNESFSSA-N 0 1 238.375 2.164 20 0 BEADMN CCN(Cc1cc(C)cc(C)c1)[C@H]1CCNC1=O ZINC000282383919 351931143 /nfs/dbraw/zinc/93/11/43/351931143.db2.gz ONAQATBTSCHHBT-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CCCC[C@@H](C)C(=O)NCc1cn[nH]c1C ZINC000282790733 351944513 /nfs/dbraw/zinc/94/45/13/351944513.db2.gz WMAVGOGECWGTDS-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN Cc1cc(CN2CCC([C@@H](C)O)CC2)sn1 ZINC000638013774 351890989 /nfs/dbraw/zinc/89/09/89/351890989.db2.gz DWEKWOQMIOOGGW-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN c1cc(CN2CCC[C@H](n3ccnc3)C2)sn1 ZINC000638018553 351896894 /nfs/dbraw/zinc/89/68/94/351896894.db2.gz QZLXHBGBCHZLHH-NSHDSACASA-N 0 1 248.355 2.177 20 0 BEADMN Cc1ncsc1CN(C)Cc1ccc(=O)[nH]c1 ZINC000638023221 351902367 /nfs/dbraw/zinc/90/23/67/351902367.db2.gz WVXZBJJCPPCBRL-UHFFFAOYSA-N 0 1 249.339 2.184 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1C[C@H]2CCC[C@@H]21 ZINC000638083726 351959672 /nfs/dbraw/zinc/95/96/72/351959672.db2.gz KPGZPEKRSQYOKH-AGIUHOORSA-N 0 1 231.343 2.356 20 0 BEADMN Cc1ccc(CN2CCc3cn[nH]c3C2)c(F)c1 ZINC000638108143 351985859 /nfs/dbraw/zinc/98/58/59/351985859.db2.gz LLEBFDRZVHBVND-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CCOC[C@H]1CCN(Cc2ccns2)C1 ZINC000638149857 352013641 /nfs/dbraw/zinc/01/36/41/352013641.db2.gz QXVYHZRRWIYXNS-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN Cc1cnc(CNCCc2cccc(F)c2)o1 ZINC000638306931 352136652 /nfs/dbraw/zinc/13/66/52/352136652.db2.gz BFUXXYYKQFSCRM-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC(c2ccco2)CC1 ZINC000617381907 352124670 /nfs/dbraw/zinc/12/46/70/352124670.db2.gz RUSKWSLKZNCRFW-UHFFFAOYSA-N 0 1 245.282 2.023 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286446842 352089312 /nfs/dbraw/zinc/08/93/12/352089312.db2.gz RQSGGHDBGQJAKV-RKDXNWHRSA-N 0 1 238.335 2.117 20 0 BEADMN Cc1nnsc1CN1CC[C@H]1C(C)C ZINC000638273497 352110746 /nfs/dbraw/zinc/11/07/46/352110746.db2.gz COOVTMNBDULEAQ-VIFPVBQESA-N 0 1 211.334 2.077 20 0 BEADMN CCc1cc(CNC[C@@](C)(CC)OC)on1 ZINC000638273360 352111131 /nfs/dbraw/zinc/11/11/31/352111131.db2.gz HUXLWNKXBZRIHQ-GFCCVEGCSA-N 0 1 226.320 2.142 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cc2c(cn1)OCCO2 ZINC000638277032 352113973 /nfs/dbraw/zinc/11/39/73/352113973.db2.gz XCQZLRXHKKGRDG-GFCCVEGCSA-N 0 1 248.326 2.083 20 0 BEADMN c1[nH]nc2c1CCN(CCCc1ccccc1)C2 ZINC000149850645 538102111 /nfs/dbraw/zinc/10/21/11/538102111.db2.gz VLBRUUBESCLLRM-UHFFFAOYSA-N 0 1 241.338 2.401 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccccn2)[C@@H]1[C@H]1CCCO1 ZINC000289811318 352199184 /nfs/dbraw/zinc/19/91/84/352199184.db2.gz OHQMPEICLWIDJH-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN CC1(C)CN(Cc2ccccn2)[C@@H]1[C@H]1CCCO1 ZINC000289811318 352199188 /nfs/dbraw/zinc/19/91/88/352199188.db2.gz OHQMPEICLWIDJH-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN Cc1cccc(NCCC[C@@H]2CCO2)n1 ZINC000638395171 352201033 /nfs/dbraw/zinc/20/10/33/352201033.db2.gz SHMWJKUPIZTDMO-LLVKDONJSA-N 0 1 206.289 2.371 20 0 BEADMN CC1(C)CN(Cc2cccnc2)[C@H]1[C@@H]1CCCO1 ZINC000289993027 352205936 /nfs/dbraw/zinc/20/59/36/352205936.db2.gz YNOOEKIFSSKAEC-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1oc(CN)cc1C ZINC000638406600 352215020 /nfs/dbraw/zinc/21/50/20/352215020.db2.gz MZLWPOJVKPDGNX-SECBINFHSA-N 0 1 238.331 2.213 20 0 BEADMN CC(C)C[C@@H](CO)NCc1nc2ccccc2o1 ZINC000638412913 352223378 /nfs/dbraw/zinc/22/33/78/352223378.db2.gz ULPIOEHPIKIXSQ-NSHDSACASA-N 0 1 248.326 2.324 20 0 BEADMN Cc1cc(CN[C@H](C)[C@@H]2CC2(F)F)no1 ZINC000638420889 352228812 /nfs/dbraw/zinc/22/88/12/352228812.db2.gz QEMPORRXEAGPSV-APPZFPTMSA-N 0 1 216.231 2.116 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1cncs1 ZINC000411169526 191166501 /nfs/dbraw/zinc/16/65/01/191166501.db2.gz TZCLSVOVJUXWSP-WDEREUQCSA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1cncs1 ZINC000411169524 191166552 /nfs/dbraw/zinc/16/65/52/191166552.db2.gz TZCLSVOVJUXWSP-MNOVXSKESA-N 0 1 240.372 2.185 20 0 BEADMN CCCC[C@H](C)N(C)c1ncnc2[nH]cnc21 ZINC000290891152 352247731 /nfs/dbraw/zinc/24/77/31/352247731.db2.gz TZAWUPZWSYZXRV-VIFPVBQESA-N 0 1 233.319 2.368 20 0 BEADMN CC1(C)CN(C(=O)Cc2ccn[nH]2)CC(C)(C)C1 ZINC000336048720 538102620 /nfs/dbraw/zinc/10/26/20/538102620.db2.gz UIZJGNOCNAYQSK-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1nc([C@@H](C)N(C)CCc2ccccc2)n[nH]1 ZINC000411173385 191168036 /nfs/dbraw/zinc/16/80/36/191168036.db2.gz PSNXXPPBALGYRG-LLVKDONJSA-N 0 1 244.342 2.349 20 0 BEADMN Cc1cc(CC(=O)NCCCC2CCCC2)[nH]n1 ZINC000176344551 187649165 /nfs/dbraw/zinc/64/91/65/187649165.db2.gz GMSUSUCVWQTBQC-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H](C)C2)cs1 ZINC000411209121 191170139 /nfs/dbraw/zinc/17/01/39/191170139.db2.gz BGLMRGCJTAFOPE-SECBINFHSA-N 0 1 239.340 2.377 20 0 BEADMN CCOCCN1CCN(c2cccc(C)c2)CC1 ZINC000073413811 352355398 /nfs/dbraw/zinc/35/53/98/352355398.db2.gz HGZDSURFGRAURM-UHFFFAOYSA-N 0 1 248.370 2.154 20 0 BEADMN CCN(Cc1ccccn1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411318200 191177595 /nfs/dbraw/zinc/17/75/95/191177595.db2.gz PRCZOPHTXICQHM-JTQLQIEISA-N 0 1 245.330 2.091 20 0 BEADMN CCN(Cc1ccccn1)[C@H](C)c1n[nH]c(C)n1 ZINC000411318206 191178160 /nfs/dbraw/zinc/17/81/60/191178160.db2.gz PRCZOPHTXICQHM-SNVBAGLBSA-N 0 1 245.330 2.091 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H](C(=O)[O-])C1 ZINC000383081264 352363903 /nfs/dbraw/zinc/36/39/03/352363903.db2.gz TULSQJGEICJNJA-PSASIEDQSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)CN(C)Cc1cc(F)ncc1F ZINC000294610189 352381077 /nfs/dbraw/zinc/38/10/77/352381077.db2.gz WCOIADNZARNBKK-UHFFFAOYSA-N 0 1 214.259 2.448 20 0 BEADMN CCCC[C@@H](CC)N[C@H](C(N)=O)c1ccccn1 ZINC000295122790 352398005 /nfs/dbraw/zinc/39/80/05/352398005.db2.gz NMODJSTVXLBGOW-YPMHNXCESA-N 0 1 249.358 2.166 20 0 BEADMN CC[C@]1(C)COCCN1CCc1cncs1 ZINC000411417925 191184454 /nfs/dbraw/zinc/18/44/54/191184454.db2.gz FOBXZYXEVRKGSO-GFCCVEGCSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@]1(C)CN(CCc2cncs2)CCO1 ZINC000411608186 191197255 /nfs/dbraw/zinc/19/72/55/191197255.db2.gz DUUNBLFCDPWGJN-GFCCVEGCSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1nc2ccccc2o1 ZINC000638581552 352412264 /nfs/dbraw/zinc/41/22/64/352412264.db2.gz QGGCIBJOWFCTJF-PWSUYJOCSA-N 0 1 248.326 2.324 20 0 BEADMN CCC[N@@H+](CC1CCC1)[C@@H](C)C(=O)OCC ZINC000411639941 191198881 /nfs/dbraw/zinc/19/88/81/191198881.db2.gz AYHDUIZKDMMUNC-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)c1cc(Cl)ccc1NC(=O)CN ZINC000638586100 352415882 /nfs/dbraw/zinc/41/58/82/352415882.db2.gz OHSZVVZZYKCQCA-UHFFFAOYSA-N 0 1 226.707 2.361 20 0 BEADMN CCc1nc(CNCC=Cc2ccccc2)n[nH]1 ZINC000295576057 352417851 /nfs/dbraw/zinc/41/78/51/352417851.db2.gz BASQLYLVSBFFKE-RMKNXTFCSA-N 0 1 242.326 2.170 20 0 BEADMN Cc1cc(C(=O)N2C3CCCC2CCC3)n[nH]1 ZINC000607933728 352438342 /nfs/dbraw/zinc/43/83/42/352438342.db2.gz CYYYKPYFCNKESA-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN NCc1ccc(C(=O)NCC[C@H]2CC=CCC2)o1 ZINC000638602565 352438678 /nfs/dbraw/zinc/43/86/78/352438678.db2.gz XAHDBDVNDDKHNR-NSHDSACASA-N 0 1 248.326 2.215 20 0 BEADMN CCC[C@](C)(CO)NCc1cc(C2CC2)no1 ZINC000638614414 352453267 /nfs/dbraw/zinc/45/32/67/352453267.db2.gz NCBHDGUYBMCHPF-CYBMUJFWSA-N 0 1 238.331 2.193 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccn(C)n1 ZINC000411828622 191214019 /nfs/dbraw/zinc/21/40/19/191214019.db2.gz VVOGTURYBUOWRM-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccn(C)n1 ZINC000411828624 191214991 /nfs/dbraw/zinc/21/49/91/191214991.db2.gz VVOGTURYBUOWRM-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccn(C)n1 ZINC000411828626 191215111 /nfs/dbraw/zinc/21/51/11/191215111.db2.gz VVOGTURYBUOWRM-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN CC(C)(C)Cc1nc(C2(N)CCCC2)no1 ZINC000041053009 352601430 /nfs/dbraw/zinc/60/14/30/352601430.db2.gz HXJMQBKRPRDHNR-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@@H](C3CCC3)C2)O1 ZINC000411850781 191218799 /nfs/dbraw/zinc/21/87/99/191218799.db2.gz PGMLXOVJQRZLNU-KWCYVHTRSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@](C)(CN[C@H](COC)c1ccco1)OC ZINC000638721662 352572611 /nfs/dbraw/zinc/57/26/11/352572611.db2.gz LQDVGQVEKNPZLM-DGCLKSJQSA-N 0 1 241.331 2.372 20 0 BEADMN CC[C@](C)(CN[C@@H](COC)c1ccco1)OC ZINC000638721663 352572705 /nfs/dbraw/zinc/57/27/05/352572705.db2.gz LQDVGQVEKNPZLM-WCQYABFASA-N 0 1 241.331 2.372 20 0 BEADMN FC[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000411854826 191219988 /nfs/dbraw/zinc/21/99/88/191219988.db2.gz YNGYGQPGAKBCGX-ZNMIVQPWSA-N 0 1 249.329 2.460 20 0 BEADMN CC[C@@H]1CCCN1Cc1ccoc1C(=O)OC ZINC000340692669 352642682 /nfs/dbraw/zinc/64/26/82/352642682.db2.gz MYDIUMBZJSWXKD-LLVKDONJSA-N 0 1 237.299 2.441 20 0 BEADMN CC(C)(C)OCCN1CCO[C@H](C2CCC2)C1 ZINC000411880723 191225991 /nfs/dbraw/zinc/22/59/91/191225991.db2.gz WAWBWTICWGJWFA-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)C(N)=O ZINC000037261334 358471984 /nfs/dbraw/zinc/47/19/84/358471984.db2.gz VDAPCEUKGQTMHX-NXEZZACHSA-N 0 1 246.310 2.266 20 0 BEADMN C[C@H]1C[C@H](Nc2ccc3nn[nH]c3c2)CS1 ZINC000638761525 352698604 /nfs/dbraw/zinc/69/86/04/352698604.db2.gz DKAPGDRYKDTCAH-CBAPKCEASA-N 0 1 234.328 2.264 20 0 BEADMN C[C@H]1C[C@H](Nc2ccc3n[nH]nc3c2)CS1 ZINC000638761525 352698606 /nfs/dbraw/zinc/69/86/06/352698606.db2.gz DKAPGDRYKDTCAH-CBAPKCEASA-N 0 1 234.328 2.264 20 0 BEADMN C[C@]1(CNCc2nc3ccccc3o2)CCCO1 ZINC000638762877 352701010 /nfs/dbraw/zinc/70/10/10/352701010.db2.gz MDBYRBCIXMBRPA-CQSZACIVSA-N 0 1 246.310 2.487 20 0 BEADMN Cc1cc(CN2CC(C)(C)C[C@H]2C)nn1C ZINC000412046360 191242914 /nfs/dbraw/zinc/24/29/14/191242914.db2.gz RBVLWQZEKTUREW-LLVKDONJSA-N 0 1 221.348 2.349 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000412047191 191244106 /nfs/dbraw/zinc/24/41/06/191244106.db2.gz SGWBDZVNEXNYJM-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC(C)(C)C[C@@H]2C)n1 ZINC000412047191 191244108 /nfs/dbraw/zinc/24/41/08/191244108.db2.gz SGWBDZVNEXNYJM-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC(C)(C)C[C@@H]2C)n1 ZINC000412047191 191244111 /nfs/dbraw/zinc/24/41/11/191244111.db2.gz SGWBDZVNEXNYJM-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1ncccc1F)OC ZINC000638777034 352723702 /nfs/dbraw/zinc/72/37/02/352723702.db2.gz BHCGUUXKRQJKAV-GXFFZTMASA-N 0 1 240.322 2.371 20 0 BEADMN CCN1CCN(C(=O)C2=C(C)CCC2)[C@H](C)C1 ZINC000341775776 352723985 /nfs/dbraw/zinc/72/39/85/352723985.db2.gz JQBIPINMCSNWJQ-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)CC(C)(C)CC)[C@@H](C)C1 ZINC000341781589 352726604 /nfs/dbraw/zinc/72/66/04/352726604.db2.gz WMEHWOUFALJRJD-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@](C)(CNCc1ncccc1F)OC ZINC000638778854 352728315 /nfs/dbraw/zinc/72/83/15/352728315.db2.gz HSMCYHHYIYREEL-GFCCVEGCSA-N 0 1 226.295 2.125 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC(C)(C)C[C@@H]1C ZINC000412050370 191245218 /nfs/dbraw/zinc/24/52/18/191245218.db2.gz YFEQBUXUYHPKCT-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN CCc1cnc(CNCC(C)(C)OC)s1 ZINC000336745433 352732014 /nfs/dbraw/zinc/73/20/14/352732014.db2.gz AHHWWTSVOKNEDW-UHFFFAOYSA-N 0 1 228.361 2.220 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000412050368 191246287 /nfs/dbraw/zinc/24/62/87/191246287.db2.gz YFEQBUXUYHPKCT-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1CN(CC2CCSCC2)CCC1=O ZINC000229282317 352750265 /nfs/dbraw/zinc/75/02/65/352750265.db2.gz ZHUDULWAVJNWBK-SNVBAGLBSA-N 0 1 227.373 2.041 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000334182612 352770645 /nfs/dbraw/zinc/77/06/45/352770645.db2.gz CCGIXSSGKADDEY-LLVKDONJSA-N 0 1 222.336 2.125 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@H](C)C(C)(C)C1 ZINC000334221483 352824497 /nfs/dbraw/zinc/82/44/97/352824497.db2.gz UBCZEUKXBYXUJD-WDEREUQCSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@H](O)[C@H]1CN(CCC2CCCCC2)CCO1 ZINC000412074857 191250925 /nfs/dbraw/zinc/25/09/25/191250925.db2.gz IFMBCRJXZUXDAB-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H](O)[C@@H]1CN(CCC2CCCCC2)CCO1 ZINC000412074859 191252384 /nfs/dbraw/zinc/25/23/84/191252384.db2.gz IFMBCRJXZUXDAB-JSGCOSHPSA-N 0 1 241.375 2.038 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000334209620 352805724 /nfs/dbraw/zinc/80/57/24/352805724.db2.gz NCJIWPMHEKJXGK-VHSXEESVSA-N 0 1 223.345 2.221 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000334209622 352806086 /nfs/dbraw/zinc/80/60/86/352806086.db2.gz NCJIWPMHEKJXGK-ZJUUUORDSA-N 0 1 223.345 2.221 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000334246251 352837319 /nfs/dbraw/zinc/83/73/19/352837319.db2.gz SVPXKGRPFGVDNL-MFKMUULPSA-N 0 1 247.342 2.087 20 0 BEADMN CC1=C[C@@H](C)CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000334246741 352838060 /nfs/dbraw/zinc/83/80/60/352838060.db2.gz ITSONMWLBRJYHE-SECBINFHSA-N 0 1 232.331 2.080 20 0 BEADMN CC[C@@H]1CN(Cc2c(C)noc2C)CCCO1 ZINC000334246837 352838295 /nfs/dbraw/zinc/83/82/95/352838295.db2.gz JAADWMJYCRPPAE-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000334248481 352840541 /nfs/dbraw/zinc/84/05/41/352840541.db2.gz QCFQZRZTEJAFAS-ZCFIWIBFSA-N 0 1 247.220 2.053 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cccc2n[nH]cc21 ZINC000334292456 352929926 /nfs/dbraw/zinc/92/99/26/352929926.db2.gz NPNBJPHKARYZJC-CYBMUJFWSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cccc2n[nH]cc21 ZINC000334292457 352930123 /nfs/dbraw/zinc/93/01/23/352930123.db2.gz NPNBJPHKARYZJC-ZDUSSCGKSA-N 0 1 243.310 2.433 20 0 BEADMN CCCCOCCN1CCOCC12CCCC2 ZINC000342868470 352882550 /nfs/dbraw/zinc/88/25/50/352882550.db2.gz MTWNWVCSZFFWEQ-UHFFFAOYSA-N 0 1 241.375 2.448 20 0 BEADMN Cc1cc(C)cc(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000334267039 352903258 /nfs/dbraw/zinc/90/32/58/352903258.db2.gz NMNKYKSCIWHTIY-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN C[C@@]1(NCc2nc3ccccc3o2)CCOC1 ZINC000638806402 352982063 /nfs/dbraw/zinc/98/20/63/352982063.db2.gz PWAYADMVIWPEHL-CYBMUJFWSA-N 0 1 232.283 2.096 20 0 BEADMN C[C@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@H]1C ZINC000334302671 352938430 /nfs/dbraw/zinc/93/84/30/352938430.db2.gz FGVRKQYPUGIOAI-PHIMTYICSA-N 0 1 248.374 2.170 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC2(C)C)nc1 ZINC000334314829 352946379 /nfs/dbraw/zinc/94/63/79/352946379.db2.gz PXUPEXGHEPZYJQ-JTQLQIEISA-N 0 1 219.332 2.405 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C)C2)o1 ZINC000334327544 352964075 /nfs/dbraw/zinc/96/40/75/352964075.db2.gz LXVRZDZENDRMNU-BDAKNGLRSA-N 0 1 209.293 2.035 20 0 BEADMN Cc1cccc([C@H](C)N2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412104057 191262026 /nfs/dbraw/zinc/26/20/26/191262026.db2.gz ZUYRMNIRKLOVHD-GUTXKFCHSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1cnc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)o1 ZINC000638817614 352997793 /nfs/dbraw/zinc/99/77/93/352997793.db2.gz IQLVIJIKYRKYBV-VIFPVBQESA-N 0 1 249.318 2.075 20 0 BEADMN CCC1(NCc2ncc(C)o2)CCOCC1 ZINC000638899796 353062487 /nfs/dbraw/zinc/06/24/87/353062487.db2.gz FDVVJSQPLYBMLV-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN CCN1C[C@H](C)N(Cc2cncs2)C[C@H]1C ZINC000334396489 353069517 /nfs/dbraw/zinc/06/95/17/353069517.db2.gz CBLAJBNWFFOMPW-MNOVXSKESA-N 0 1 239.388 2.058 20 0 BEADMN CC[C@](C)(C[N@H+]1CC[C@H](C)[C@@H](F)C1)OC ZINC000638910518 353074772 /nfs/dbraw/zinc/07/47/72/353074772.db2.gz RRDYJWHGGVTEOU-SDDRHHMPSA-N 0 1 217.328 2.481 20 0 BEADMN CCn1ncnc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000638874533 353044321 /nfs/dbraw/zinc/04/43/21/353044321.db2.gz VAKPRFDQDUODLF-OLZOCXBDSA-N 0 1 248.374 2.356 20 0 BEADMN COC[C@@H](C)CN[C@@H]1CCCC1(F)F ZINC000379570945 538107320 /nfs/dbraw/zinc/10/73/20/538107320.db2.gz HDKJLBFVYQFPSF-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN Cn1nccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000334381779 353048097 /nfs/dbraw/zinc/04/80/97/353048097.db2.gz JRFNVXVXPVVQCD-GFCCVEGCSA-N 0 1 219.332 2.041 20 0 BEADMN COC[C@@H](C)CN[C@H]1CCCC1(F)F ZINC000379570946 538107367 /nfs/dbraw/zinc/10/73/67/538107367.db2.gz HDKJLBFVYQFPSF-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1ccc(CN(C)CCCO)c(Cl)c1 ZINC000300863717 188001126 /nfs/dbraw/zinc/00/11/26/188001126.db2.gz VUQPAJCHJURXGV-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN OC1(C[N@H+]2CCc3cccc(F)c3C2)CCC1 ZINC000334472351 353118213 /nfs/dbraw/zinc/11/82/13/353118213.db2.gz HXVVRBOSZJOSHE-UHFFFAOYSA-N 0 1 235.302 2.099 20 0 BEADMN C[C@@H](c1ccccn1)N(C)Cc1ccc(=O)[nH]c1 ZINC000638923777 353084559 /nfs/dbraw/zinc/08/45/59/353084559.db2.gz ZYECAWUUPCTWHG-NSHDSACASA-N 0 1 243.310 2.375 20 0 BEADMN COC1(C)CCN(Cc2ccns2)CC1 ZINC000638925720 353086162 /nfs/dbraw/zinc/08/61/62/353086162.db2.gz UUJJIPRHLNGDCM-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)C2CCCC2)c1 ZINC000092934720 538108143 /nfs/dbraw/zinc/10/81/43/538108143.db2.gz KFFLJGNDUYYBAB-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN C/C=C/C[C@H](CO)NCc1ncc(CC)s1 ZINC000336768198 188005645 /nfs/dbraw/zinc/00/56/45/188005645.db2.gz QMVVAGXAZRPPJE-RXNUUUNCSA-N 0 1 240.372 2.122 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccncc1Cl ZINC000303740616 188017950 /nfs/dbraw/zinc/01/79/50/188017950.db2.gz DGPOYPFFMPPTCK-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN C(C1CCC1)[C@@H]1COCCN1C[C@H]1CCCO1 ZINC000339770297 188019167 /nfs/dbraw/zinc/01/91/67/188019167.db2.gz AXCNEBHSGFUPBP-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN CCc1ncc(CN(C)C[C@@H]2CCCO2)s1 ZINC000264544509 188021500 /nfs/dbraw/zinc/02/15/00/188021500.db2.gz TVOVXLPZOKXFTM-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CC(C)[C@H]1CCCCN1Cc1nccc(N)n1 ZINC000269712031 188023999 /nfs/dbraw/zinc/02/39/99/188023999.db2.gz PZJCNDUIPAADDR-LLVKDONJSA-N 0 1 234.347 2.069 20 0 BEADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000272388295 188026608 /nfs/dbraw/zinc/02/66/08/188026608.db2.gz XOBYBTVHEXVLJY-ZIAGYGMSSA-N 0 1 248.370 2.311 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1occc1C(C)C ZINC000284681155 188033528 /nfs/dbraw/zinc/03/35/28/188033528.db2.gz ZXPCLMZKFJKHCM-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CCN1CCc2cc(OC)c(F)cc2C1 ZINC000334473330 353118867 /nfs/dbraw/zinc/11/88/67/353118867.db2.gz LBSLKNHHSCQPOL-UHFFFAOYSA-N 0 1 209.264 2.212 20 0 BEADMN CC(=O)c1ccc(CN(C)CC[C@@H](C)O)cc1 ZINC000295121084 188038474 /nfs/dbraw/zinc/03/84/74/188038474.db2.gz WUAWEVWTHIZVBQ-LLVKDONJSA-N 0 1 235.327 2.092 20 0 BEADMN COC(=O)C1(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000295677531 188039446 /nfs/dbraw/zinc/03/94/46/188039446.db2.gz LIDQPVVMGCSWPB-LBPRGKRZSA-N 0 1 248.326 2.105 20 0 BEADMN C=Cn1cc(CN2CC(C)(CC)C2)cn1 ZINC000297435889 188040856 /nfs/dbraw/zinc/04/08/56/188040856.db2.gz OZAARAOCHFEBKO-UHFFFAOYSA-N 0 1 205.305 2.216 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000042707251 188043371 /nfs/dbraw/zinc/04/33/71/188043371.db2.gz PSFYIZOXYJYGTN-GFCCVEGCSA-N 0 1 235.327 2.456 20 0 BEADMN CC(C)N(CC1CCC1)C(=O)c1ccn[nH]1 ZINC000195152029 188005413 /nfs/dbraw/zinc/00/54/13/188005413.db2.gz SKFSZVYKKNNAHF-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1C[C@H](NCc2ccncc2Cl)CO1 ZINC000402263767 353159129 /nfs/dbraw/zinc/15/91/29/353159129.db2.gz CEXQIAUGAJGGQO-WPRPVWTQSA-N 0 1 226.707 2.002 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2cnns2)C1 ZINC000336256060 188054283 /nfs/dbraw/zinc/05/42/83/188054283.db2.gz NDTTWFVEOWSXMT-JTQLQIEISA-N 0 1 225.361 2.406 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@@H]2CCC[C@H]21 ZINC000336370982 188055867 /nfs/dbraw/zinc/05/58/67/188055867.db2.gz UAOKXTLTDFIGGA-NWDGAFQWSA-N 0 1 248.374 2.408 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638972405 353177514 /nfs/dbraw/zinc/17/75/14/353177514.db2.gz HCMXRYWQQRSLLF-QMTHXVAHSA-N 0 1 248.326 2.109 20 0 BEADMN CCCC[C@@H](CC)CC(=O)N1CCNC[C@H]1C ZINC000124472534 353166639 /nfs/dbraw/zinc/16/66/39/353166639.db2.gz IWPFYOQWNOXLHN-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)c1ccc(CN)o1 ZINC000638995732 353238213 /nfs/dbraw/zinc/23/82/13/353238213.db2.gz FLOHJHVEHRUWGI-VIFPVBQESA-N 0 1 236.315 2.047 20 0 BEADMN COC1(CN[C@@H](C)c2cscn2)CCC1 ZINC000134716727 538113645 /nfs/dbraw/zinc/11/36/45/538113645.db2.gz LTSALZZOBZAKEQ-VIFPVBQESA-N 0 1 226.345 2.363 20 0 BEADMN CCC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250044314 353267496 /nfs/dbraw/zinc/26/74/96/353267496.db2.gz UZDHXANCFBAERG-VWYCJHECSA-N 0 1 211.305 2.114 20 0 BEADMN CCC(=O)[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000128121454 353282657 /nfs/dbraw/zinc/28/26/57/353282657.db2.gz WMCKNFMPMJPNER-ZCFIWIBFSA-N 0 1 225.317 2.142 20 0 BEADMN CCC(=O)[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000128121454 353282659 /nfs/dbraw/zinc/28/26/59/353282659.db2.gz WMCKNFMPMJPNER-ZCFIWIBFSA-N 0 1 225.317 2.142 20 0 BEADMN Cc1cccc2nc(CNc3ncccn3)[nH]c21 ZINC000301896744 188232988 /nfs/dbraw/zinc/23/29/88/188232988.db2.gz QPLIFIDGZRPDGR-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCO[C@H](C(C)C)C1 ZINC000361312269 188244074 /nfs/dbraw/zinc/24/40/74/188244074.db2.gz RHKHUQSUTBITGM-KGLIPLIRSA-N 0 1 243.391 2.140 20 0 BEADMN CC(=O)NC1CN(CCC2CCCCCC2)C1 ZINC000362309794 188245572 /nfs/dbraw/zinc/24/55/72/188245572.db2.gz SYVGGIBDSARGIO-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)(O)CCN1CCOC[C@@H]1c1ccccc1 ZINC000370168065 188247898 /nfs/dbraw/zinc/24/78/98/188247898.db2.gz ZIRCYZWCLGTUQQ-CQSZACIVSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)OCCNCc1nc2c(s1)CCC2 ZINC000134985458 538114387 /nfs/dbraw/zinc/11/43/87/538114387.db2.gz WQKUVXJCDJOQPR-UHFFFAOYSA-N 0 1 240.372 2.146 20 0 BEADMN CC(C)=CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378263281 188252376 /nfs/dbraw/zinc/25/23/76/188252376.db2.gz UNPDACGGTHYNED-UHFFFAOYSA-N 0 1 242.282 2.376 20 0 BEADMN CC[C@@H](C(=O)N1C[C@@H](C)c2ccccc21)N(C)C ZINC000124821112 188257415 /nfs/dbraw/zinc/25/74/15/188257415.db2.gz QTCHVIXOAYZYSN-YPMHNXCESA-N 0 1 246.354 2.477 20 0 BEADMN CC1=C(C(=O)N2CCN3CCCC[C@@H]3C2)CCC1 ZINC000335700318 535218766 /nfs/dbraw/zinc/21/87/66/535218766.db2.gz UDEANAJJMFJIAA-CYBMUJFWSA-N 0 1 248.370 2.184 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)CC(=O)c1cccn1C ZINC000035255803 188277944 /nfs/dbraw/zinc/27/79/44/188277944.db2.gz NTDLYOAYSIJFIE-NSHDSACASA-N 0 1 222.332 2.184 20 0 BEADMN CC(C)[C@H](C)N(C)CC(=O)c1cccn1C ZINC000035255803 188277945 /nfs/dbraw/zinc/27/79/45/188277945.db2.gz NTDLYOAYSIJFIE-NSHDSACASA-N 0 1 222.332 2.184 20 0 BEADMN CCc1cnc(CNCC(O)(CC)CC)s1 ZINC000336769735 353296800 /nfs/dbraw/zinc/29/68/00/353296800.db2.gz SKGXKZKGJSDNED-UHFFFAOYSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cc(CN2CCC(C)(CO)CC2)sn1 ZINC000639049108 353338198 /nfs/dbraw/zinc/33/81/98/353338198.db2.gz IEFLZSIXZWTKQO-UHFFFAOYSA-N 0 1 240.372 2.046 20 0 BEADMN CO[C@@H](CNCc1ccno1)Cc1ccccc1 ZINC000639040995 353319440 /nfs/dbraw/zinc/31/94/40/353319440.db2.gz FUKWEIYIRHZXDX-CQSZACIVSA-N 0 1 246.310 2.022 20 0 BEADMN C/C=C\C[C@H](CO)NCc1nc2ccccc2o1 ZINC000639056497 353361693 /nfs/dbraw/zinc/36/16/93/353361693.db2.gz NOTMIQUUONKYNI-OTDNITJGSA-N 0 1 246.310 2.245 20 0 BEADMN CC(C)N(C(=O)Cc1ccn[nH]1)C1CCCC1 ZINC000174700946 188340582 /nfs/dbraw/zinc/34/05/82/188340582.db2.gz STBXJHDWOLLDLS-UHFFFAOYSA-N 0 1 235.331 2.132 20 0 BEADMN CC(C)CONC(=O)[C@H]1CCOc2ccccc21 ZINC000135340665 188332102 /nfs/dbraw/zinc/33/21/02/188332102.db2.gz ZPQFRHBMDAHWRM-LBPRGKRZSA-N 0 1 249.310 2.257 20 0 BEADMN Cc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1 ZINC000155532558 188333942 /nfs/dbraw/zinc/33/39/42/188333942.db2.gz IGYWIRZCFGOVPI-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2ccn(C)n2)CS1 ZINC000336693207 188342655 /nfs/dbraw/zinc/34/26/55/188342655.db2.gz XRPDFBRRRCCXGO-NEPJUHHUSA-N 0 1 239.388 2.040 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1=CC[C@H](C)CC1 ZINC000334506897 353369463 /nfs/dbraw/zinc/36/94/63/353369463.db2.gz ZCTQRYDENZLJAX-VIFPVBQESA-N 0 1 233.315 2.081 20 0 BEADMN CC(C)C[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116388759 188345482 /nfs/dbraw/zinc/34/54/82/188345482.db2.gz ZOMISXKBXNJFAT-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2ccc3cncn3c2)C1 ZINC000334508578 353382905 /nfs/dbraw/zinc/38/29/05/353382905.db2.gz WZYBKVKZOYAINO-QWRGUYRKSA-N 0 1 243.310 2.205 20 0 BEADMN CC(C)=CCNC(=O)Cc1[nH]nc2ccccc21 ZINC000191743327 188351100 /nfs/dbraw/zinc/35/11/00/188351100.db2.gz REVVIJMGEAGERZ-UHFFFAOYSA-N 0 1 243.310 2.188 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1ncc(CC)s1 ZINC000336768196 188353422 /nfs/dbraw/zinc/35/34/22/188353422.db2.gz QMVVAGXAZRPPJE-GFAPAMAISA-N 0 1 240.372 2.122 20 0 BEADMN Cc1c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cnn1C ZINC000268915698 188374060 /nfs/dbraw/zinc/37/40/60/188374060.db2.gz PYGUAGFJEIBPOO-CQSZACIVSA-N 0 1 244.342 2.394 20 0 BEADMN Cc1c(CN2CCC[C@@H]2c2ccc[nH]2)cnn1C ZINC000268915698 188374061 /nfs/dbraw/zinc/37/40/61/188374061.db2.gz PYGUAGFJEIBPOO-CQSZACIVSA-N 0 1 244.342 2.394 20 0 BEADMN CC(C)C[C@H](C)CN(C)[C@H](C)CS(C)(=O)=O ZINC000337170561 188361508 /nfs/dbraw/zinc/36/15/08/188361508.db2.gz FHHXXUMNPZTIAF-NWDGAFQWSA-N 0 1 249.420 2.034 20 0 BEADMN CC(C)C[C@H](N)c1noc(CC2CCC2)n1 ZINC000339388972 188368418 /nfs/dbraw/zinc/36/84/18/188368418.db2.gz CEFJWAIVDXGTMU-JTQLQIEISA-N 0 1 223.320 2.458 20 0 BEADMN Cc1ccnc(CN(C)C(C2CC2)C2CC2)n1 ZINC000339584773 188368616 /nfs/dbraw/zinc/36/86/16/188368616.db2.gz PFGPMXHQAUGBMB-UHFFFAOYSA-N 0 1 231.343 2.405 20 0 BEADMN C=Cn1cc(CN2CCC(F)(F)[C@H](C)C2)cn1 ZINC000291590909 188390460 /nfs/dbraw/zinc/39/04/60/188390460.db2.gz PUGJHPWADLFKGW-SNVBAGLBSA-N 0 1 241.285 2.461 20 0 BEADMN C=Cn1cc(CN2CCC(F)(F)[C@@H](C)C2)cn1 ZINC000291590906 188390625 /nfs/dbraw/zinc/39/06/25/188390625.db2.gz PUGJHPWADLFKGW-JTQLQIEISA-N 0 1 241.285 2.461 20 0 BEADMN Cn1cnc2cc(CN3CCSCC3)ccc21 ZINC000271803573 188377105 /nfs/dbraw/zinc/37/71/05/188377105.db2.gz LTQHYOWAEJEDDU-UHFFFAOYSA-N 0 1 247.367 2.122 20 0 BEADMN CC(C)Cn1cc(CN[C@H](C)c2cn[nH]c2)cn1 ZINC000272891672 188377285 /nfs/dbraw/zinc/37/72/85/188377285.db2.gz JVPGCQUBTLGFQU-LLVKDONJSA-N 0 1 247.346 2.113 20 0 BEADMN CC(C)[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000289115699 188388110 /nfs/dbraw/zinc/38/81/10/188388110.db2.gz NEYSQCBAFRVHRA-QMMMGPOBSA-N 0 1 214.334 2.037 20 0 BEADMN CC(C)N(C)Cc1cnc([C@H](C)O)s1 ZINC000289115699 188388112 /nfs/dbraw/zinc/38/81/12/188388112.db2.gz NEYSQCBAFRVHRA-QMMMGPOBSA-N 0 1 214.334 2.037 20 0 BEADMN CC(C)=CC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289995895 188388975 /nfs/dbraw/zinc/38/89/75/188388975.db2.gz SPWLBAAEEQWEMU-ZDUSSCGKSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@H](CO)[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000289546898 188389211 /nfs/dbraw/zinc/38/92/11/188389211.db2.gz XGDPCCDLKQLHMO-HOSYDEDBSA-N 0 1 223.316 2.216 20 0 BEADMN CC1(C)C[C@@H]1NCc1cc(F)ncc1F ZINC000296322934 188394893 /nfs/dbraw/zinc/39/48/93/188394893.db2.gz HGGSRJDFMBRQKC-VIFPVBQESA-N 0 1 212.243 2.248 20 0 BEADMN C/C=C/C=C/C(=O)N1CCN([C@H](C)CC)CC1 ZINC000296838876 188395052 /nfs/dbraw/zinc/39/50/52/188395052.db2.gz GXMKNPOQUHNOLF-WRKGSVQYSA-N 0 1 236.359 2.061 20 0 BEADMN CCc1cnc(CN[C@H](CO)C(C)(C)C)s1 ZINC000336777305 353489336 /nfs/dbraw/zinc/48/93/36/353489336.db2.gz IATUIRSHZLSZRJ-SNVBAGLBSA-N 0 1 242.388 2.202 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC1CCCC1 ZINC000294696858 188392086 /nfs/dbraw/zinc/39/20/86/188392086.db2.gz GJZADTFRZHDOOS-CYBMUJFWSA-N 0 1 232.327 2.054 20 0 BEADMN c1cnc(CN2CCC[C@@H]3CCC[C@@H]32)nc1 ZINC000192042009 353533974 /nfs/dbraw/zinc/53/39/74/353533974.db2.gz JWBYDEDWHPHJGH-RYUDHWBXSA-N 0 1 217.316 2.241 20 0 BEADMN COCCCSc1nc(C(C)(C)C)n[nH]1 ZINC000192450709 353556455 /nfs/dbraw/zinc/55/64/55/353556455.db2.gz JRWCZQYQAWTETD-UHFFFAOYSA-N 0 1 229.349 2.231 20 0 BEADMN COCCCSc1n[nH]c(C(C)(C)C)n1 ZINC000192450709 353556457 /nfs/dbraw/zinc/55/64/57/353556457.db2.gz JRWCZQYQAWTETD-UHFFFAOYSA-N 0 1 229.349 2.231 20 0 BEADMN CCC(CC)CN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000353804534 353661482 /nfs/dbraw/zinc/66/14/82/353661482.db2.gz MYIWFHSGRNJZAP-RWSFTLGLSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@H]1C[C@H](NC2CC(C)(F)C2)c2nccn21 ZINC000334519462 353671681 /nfs/dbraw/zinc/67/16/81/353671681.db2.gz IXTZMPFAYABNRL-ZSWLNHAKSA-N 0 1 223.295 2.369 20 0 BEADMN Fc1cccc2c1CCN(CCn1cccn1)C2 ZINC000152766532 181004876 /nfs/dbraw/zinc/00/48/76/181004876.db2.gz YAPSMYVOMGLWGT-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CC2CCC1CC2 ZINC000398472251 363251024 /nfs/dbraw/zinc/25/10/24/363251024.db2.gz XOOMLSMTHYOKMK-YUVKLTJASA-N 0 1 234.347 2.109 20 0 BEADMN CC(C)C1CN([C@H](c2nccn2C)C2CC2)C1 ZINC000639116907 353742177 /nfs/dbraw/zinc/74/21/77/353742177.db2.gz AOLKQZPTVIRJOU-ZDUSSCGKSA-N 0 1 233.359 2.459 20 0 BEADMN Fc1ccccc1CN1CC([C@H]2CCOC2)C1 ZINC000365558585 181011359 /nfs/dbraw/zinc/01/13/59/181011359.db2.gz DTCUOUIXCKJAIU-LBPRGKRZSA-N 0 1 235.302 2.294 20 0 BEADMN Fc1cncc(CNC2CC(F)(F)C2)c1 ZINC000336148502 181019889 /nfs/dbraw/zinc/01/98/89/181019889.db2.gz KNRUEBWZQFMYBP-UHFFFAOYSA-N 0 1 216.206 2.108 20 0 BEADMN CCn1cncc1CN1CCC(C(F)F)CC1 ZINC000417767055 353794314 /nfs/dbraw/zinc/79/43/14/353794314.db2.gz AXINWEWTKXZRDT-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN C[C@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854645 353795785 /nfs/dbraw/zinc/79/57/85/353795785.db2.gz GBTWAMFJESZSSX-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CCC1CN(Cc2cnc3c(C)cccn23)C1 ZINC000334521317 353886123 /nfs/dbraw/zinc/88/61/23/353886123.db2.gz BDABGPXNHDKZSD-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN CCC1CN(Cc2cnc3cc(C)ccn23)C1 ZINC000334522230 353888379 /nfs/dbraw/zinc/88/83/79/353888379.db2.gz LXVJWLCDDKGBOV-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN c1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)sn1 ZINC000639146002 353851664 /nfs/dbraw/zinc/85/16/64/353851664.db2.gz ANBQADUYBRRLJE-NEPJUHHUSA-N 0 1 238.356 2.287 20 0 BEADMN COCC1(N[C@H](c2nccn2C)C2CC2)CCC1 ZINC000639149776 353853331 /nfs/dbraw/zinc/85/33/31/353853331.db2.gz OQOJOHYKCBCARE-LBPRGKRZSA-N 0 1 249.358 2.030 20 0 BEADMN CC(C)c1nc(CN2CCCCCC2)n[nH]1 ZINC000334538088 353925505 /nfs/dbraw/zinc/92/55/05/353925505.db2.gz SQWRGFPKOFPYGI-UHFFFAOYSA-N 0 1 222.336 2.304 20 0 BEADMN CNC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000343590179 353941514 /nfs/dbraw/zinc/94/15/14/353941514.db2.gz OCFBOXNVYMGBBO-LBPRGKRZSA-N 0 1 234.343 2.042 20 0 BEADMN CC[C@@H](NC(=O)CN(CC)C1CC1)C(C)(C)C ZINC000343667449 353944737 /nfs/dbraw/zinc/94/47/37/353944737.db2.gz MIPFZDYCMLMNES-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN(C)CCCO)o1 ZINC000053427096 363284550 /nfs/dbraw/zinc/28/45/50/363284550.db2.gz BXQBRNYWNHEKOF-JQWIXIFHSA-N 0 1 223.316 2.217 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343645806 353952561 /nfs/dbraw/zinc/95/25/61/353952561.db2.gz IEQYCQIWRXVQNZ-MRVPVSSYSA-N 0 1 233.315 2.158 20 0 BEADMN CN(Cc1ccoc1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343653048 353954189 /nfs/dbraw/zinc/95/41/89/353954189.db2.gz MQRPJOHVGYAZMJ-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN Cc1[nH]ncc1CNC(=O)N[C@@]1(C)CC=CCC1 ZINC000334555357 354000542 /nfs/dbraw/zinc/00/05/42/354000542.db2.gz YPDPUMZLSGUBNS-ZDUSSCGKSA-N 0 1 248.330 2.016 20 0 BEADMN Cc1nc([C@H](C)N2CCCC3(CC3)C2)n[nH]1 ZINC000334556250 354001805 /nfs/dbraw/zinc/00/18/05/354001805.db2.gz NCWLUTLUPHKHFN-VIFPVBQESA-N 0 1 220.320 2.050 20 0 BEADMN CC(C)c1nnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000343997158 354064943 /nfs/dbraw/zinc/06/49/43/354064943.db2.gz AGDQXEPWWPCZDQ-LLVKDONJSA-N 0 1 235.331 2.425 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000343969257 354076855 /nfs/dbraw/zinc/07/68/55/354076855.db2.gz VDSAWWIDKARXAM-GXSJLCMTSA-N 0 1 247.342 2.207 20 0 BEADMN CCC(CC)[N@@H+](CC)CC(=O)N1CCCC1 ZINC000344019991 354082254 /nfs/dbraw/zinc/08/22/54/354082254.db2.gz GETNHNHWAXKBMT-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)C1 ZINC000344026080 354084871 /nfs/dbraw/zinc/08/48/71/354084871.db2.gz BEDKNIIETWGERW-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@@H]1CC=CCC1 ZINC000344066481 354130733 /nfs/dbraw/zinc/13/07/33/354130733.db2.gz PFWXAYCGNIODJE-LLVKDONJSA-N 0 1 205.305 2.198 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2cc(C)on2)C1(C)C ZINC000344070458 354131285 /nfs/dbraw/zinc/13/12/85/354131285.db2.gz SMAHGVFTQVOKQC-MVWJERBFSA-N 0 1 238.331 2.132 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CCC[C@H](C2CC2)C1 ZINC000344100534 354132673 /nfs/dbraw/zinc/13/26/73/354132673.db2.gz NHBJBWURSSKWMT-LBPRGKRZSA-N 0 1 246.358 2.304 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNCc1csnn1 ZINC000230658162 363317355 /nfs/dbraw/zinc/31/73/55/363317355.db2.gz ZURWCJIWDQSWRL-RKDXNWHRSA-N 0 1 211.334 2.064 20 0 BEADMN C[C@@H]1CCC[C@H]1CNCc1csnn1 ZINC000230658171 363317412 /nfs/dbraw/zinc/31/74/12/363317412.db2.gz ZURWCJIWDQSWRL-BDAKNGLRSA-N 0 1 211.334 2.064 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCCOC2)sn1 ZINC000639173299 354177285 /nfs/dbraw/zinc/17/72/85/354177285.db2.gz SDMWNZOJBSUCAY-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1CCSC1 ZINC000449702649 202004103 /nfs/dbraw/zinc/00/41/03/202004103.db2.gz ZOGIDRJRSFRCOG-VIFPVBQESA-N 0 1 224.329 2.147 20 0 BEADMN Cc1cnc(CN[C@H](C)c2cc[nH]c(=O)c2)s1 ZINC000344196025 354181189 /nfs/dbraw/zinc/18/11/89/354181189.db2.gz JRMZUJUPVKSOAT-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN CC(C)CNC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344221243 354181511 /nfs/dbraw/zinc/18/15/11/354181511.db2.gz SCFIOQVTKIZCNX-LBPRGKRZSA-N 0 1 240.391 2.127 20 0 BEADMN CCCN(CCC)C(=O)C(C)(C)c1c[nH]cn1 ZINC000344236376 354186204 /nfs/dbraw/zinc/18/62/04/354186204.db2.gz ZXKWSIUYDLINCO-UHFFFAOYSA-N 0 1 237.347 2.336 20 0 BEADMN Cc1ccc(CN(C)C[C@@H](O)C2CC2)c(F)c1 ZINC000639174997 354189824 /nfs/dbraw/zinc/18/98/24/354189824.db2.gz FXJRCCFOVXKKKH-CQSZACIVSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1ncc([C@H](C)N(C)[C@@H]2CCCOC2)c(C)n1 ZINC000639175567 354196945 /nfs/dbraw/zinc/19/69/45/354196945.db2.gz YWWVDNLOEVBOGI-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)[C@H]1CN(Cc2cnccn2)CCS1 ZINC000334581691 354200424 /nfs/dbraw/zinc/20/04/24/354200424.db2.gz MXVMTKTZARMFQU-GFCCVEGCSA-N 0 1 237.372 2.050 20 0 BEADMN C[C@H](N[C@H]1CC12CCCC2)c1ccn(C)n1 ZINC000334582873 354202776 /nfs/dbraw/zinc/20/27/76/354202776.db2.gz YLOUHNWHOXMLRM-JQWIXIFHSA-N 0 1 219.332 2.403 20 0 BEADMN NC1(c2noc([C@@]34C[C@@H]3CCC4)n2)CCCC1 ZINC000334587853 354213590 /nfs/dbraw/zinc/21/35/90/354213590.db2.gz QJVAKYIICZYVFG-CABZTGNLSA-N 0 1 233.315 2.239 20 0 BEADMN Cc1coc(S[C@H](C)c2n[nH]c(C)n2)n1 ZINC000334588393 354215009 /nfs/dbraw/zinc/21/50/09/354215009.db2.gz VJPHMIYQARWCIT-ZCFIWIBFSA-N 0 1 224.289 2.263 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000393170499 358485644 /nfs/dbraw/zinc/48/56/44/358485644.db2.gz FIHXMMDZKLLDHM-MRVPVSSYSA-N 0 1 242.344 2.462 20 0 BEADMN CCC(C)(C)OC1CN(CC[C@@H]2CCOC2)C1 ZINC000529641628 324369453 /nfs/dbraw/zinc/36/94/53/324369453.db2.gz OCLXWLPRIACKJX-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344409568 354251224 /nfs/dbraw/zinc/25/12/24/354251224.db2.gz BHUQRFCIMOHPEC-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2=CCCC2)[C@H](C)C1 ZINC000344409704 354252040 /nfs/dbraw/zinc/25/20/40/354252040.db2.gz BPYIUGSLZCSNRR-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344417567 354252932 /nfs/dbraw/zinc/25/29/32/354252932.db2.gz FJLWBDSNXNLZGU-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344417569 354252965 /nfs/dbraw/zinc/25/29/65/354252965.db2.gz FJLWBDSNXNLZGU-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(CN(C)[C@H](CO)CC(C)C)sn1 ZINC000639178410 354253747 /nfs/dbraw/zinc/25/37/47/354253747.db2.gz LHOCSRIPJMASLJ-NSHDSACASA-N 0 1 242.388 2.290 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCOC(C)(C)C ZINC000344473492 354268349 /nfs/dbraw/zinc/26/83/49/354268349.db2.gz LVZONUIKMCBUPQ-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)n(C)n1 ZINC000334608975 354316208 /nfs/dbraw/zinc/31/62/08/354316208.db2.gz FAUHQPRHIMMITJ-WDEREUQCSA-N 0 1 239.388 2.054 20 0 BEADMN c1ccc(CNCc2ccc3c(c2)COC3)nc1 ZINC000344962417 354384441 /nfs/dbraw/zinc/38/44/41/354384441.db2.gz IBXQPIDEVPZTBP-UHFFFAOYSA-N 0 1 240.306 2.402 20 0 BEADMN CC1(CO)CN(Cc2ccc3occc3c2)C1 ZINC000334647188 354437656 /nfs/dbraw/zinc/43/76/56/354437656.db2.gz NMNOVWRDWIUQLX-UHFFFAOYSA-N 0 1 231.295 2.247 20 0 BEADMN CCn1ncnc1C[N@H+]1CCCCC[C@H]1C ZINC000334641797 354398088 /nfs/dbraw/zinc/39/80/88/354398088.db2.gz YBRZSGVAMZTBFU-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN CCn1ncnc1CN1CCCCC[C@H]1C ZINC000334641797 354398089 /nfs/dbraw/zinc/39/80/89/354398089.db2.gz YBRZSGVAMZTBFU-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H](C)[C@@H]1C ZINC000334668492 354407928 /nfs/dbraw/zinc/40/79/28/354407928.db2.gz AHFFSLHAMFLZOV-MNOVXSKESA-N 0 1 222.336 2.089 20 0 BEADMN C[C@@H]1CN(CC2=CCCCC2)C[C@@H](C(N)=O)O1 ZINC000334674920 354417316 /nfs/dbraw/zinc/41/73/16/354417316.db2.gz CDZMVMDRTFPGBC-PWSUYJOCSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000334677129 354421146 /nfs/dbraw/zinc/42/11/46/354421146.db2.gz QBBLUPUSTAWTJS-JTQLQIEISA-N 0 1 236.363 2.334 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000334677752 354421843 /nfs/dbraw/zinc/42/18/43/354421843.db2.gz HYQCVWIOIPPGBQ-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000334679402 354425084 /nfs/dbraw/zinc/42/50/84/354425084.db2.gz YOBWOOZELIALNL-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)[C@H]1CN(CC2CCC(=O)CC2)CCO1 ZINC000334656818 354451274 /nfs/dbraw/zinc/45/12/74/354451274.db2.gz QSJMVCBXNYSXFV-CQSZACIVSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1nc(CN2CC[C@H](O)C2(C)C)c(C)s1 ZINC000334664124 354465057 /nfs/dbraw/zinc/46/50/57/354465057.db2.gz UOLNHWSJRDBXLL-NSHDSACASA-N 0 1 240.372 2.105 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2ccn[nH]2)CC12CCCC2 ZINC000334751925 354476637 /nfs/dbraw/zinc/47/66/37/354476637.db2.gz SWXQUPWTRYHZHQ-LBPRGKRZSA-N 0 1 247.342 2.451 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2ccn[nH]2)CC12CCCC2 ZINC000334751924 354476902 /nfs/dbraw/zinc/47/69/02/354476902.db2.gz SWXQUPWTRYHZHQ-GFCCVEGCSA-N 0 1 247.342 2.451 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)n[nH]1 ZINC000334742817 354545746 /nfs/dbraw/zinc/54/57/46/354545746.db2.gz IAPKYJGJSNFGAH-AAEUAGOBSA-N 0 1 249.358 2.471 20 0 BEADMN OC[C@]1(F)CCN(Cc2cccc3ccoc32)C1 ZINC000334742975 354545756 /nfs/dbraw/zinc/54/57/56/354545756.db2.gz PAQLQKIDCOXLSN-AWEZNQCLSA-N 0 1 249.285 2.339 20 0 BEADMN OC[C@@]1(F)CCN(Cc2cccc3ccoc32)C1 ZINC000334742981 354545962 /nfs/dbraw/zinc/54/59/62/354545962.db2.gz PAQLQKIDCOXLSN-CQSZACIVSA-N 0 1 249.285 2.339 20 0 BEADMN CO[C@@H]1CCN(Cc2ccncc2F)C[C@@H]1C ZINC000334737252 354538948 /nfs/dbraw/zinc/53/89/48/354538948.db2.gz CBXNMQLUFGWVJA-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CCN(Cc2ncc(C)s2)C[C@@H]1C ZINC000334738257 354540842 /nfs/dbraw/zinc/54/08/42/354540842.db2.gz HZXRTIZZNMQOCA-ONGXEEELSA-N 0 1 240.372 2.308 20 0 BEADMN C[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@@H]1C ZINC000334707107 354500654 /nfs/dbraw/zinc/50/06/54/354500654.db2.gz YJEKFPPIFWIMKS-NXEZZACHSA-N 0 1 227.739 2.267 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C(C)C)C2)o1 ZINC000334707591 354501905 /nfs/dbraw/zinc/50/19/05/354501905.db2.gz FXJOFTHQEIHQJP-ONGXEEELSA-N 0 1 223.320 2.417 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)cs2)C[C@H]1C ZINC000334741015 354544603 /nfs/dbraw/zinc/54/46/03/354544603.db2.gz XYYNHLGVDIRIMP-MWLCHTKSSA-N 0 1 240.372 2.308 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1C ZINC000334715328 354513189 /nfs/dbraw/zinc/51/31/89/354513189.db2.gz HLWADPIFJUPNCG-MFKMUULPSA-N 0 1 235.331 2.191 20 0 BEADMN CCc1nc(NC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000334716654 354515474 /nfs/dbraw/zinc/51/54/74/354515474.db2.gz XSTSASSTHMTVAK-MRVPVSSYSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C2=CC[C@@H](C)CC2)n1 ZINC000334716654 354515476 /nfs/dbraw/zinc/51/54/76/354515476.db2.gz XSTSASSTHMTVAK-MRVPVSSYSA-N 0 1 234.303 2.052 20 0 BEADMN Cc1ccnc(NC[C@H]2CC[C@@H](C)O2)c1 ZINC000334813254 354570707 /nfs/dbraw/zinc/57/07/07/354570707.db2.gz OSOSYJJBEODZCP-GHMZBOCLSA-N 0 1 206.289 2.369 20 0 BEADMN C[C@@H]1CCCCCN1Cc1nnc2n1CCCC2 ZINC000334815785 354573631 /nfs/dbraw/zinc/57/36/31/354573631.db2.gz GVCOHOGONCEMER-GFCCVEGCSA-N 0 1 248.374 2.379 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cnc[nH]1 ZINC000334743825 354547738 /nfs/dbraw/zinc/54/77/38/354547738.db2.gz NVJQGNWJYYRKCI-ZYHUDNBSSA-N 0 1 235.331 2.162 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1=CCCC1 ZINC000334796002 354550305 /nfs/dbraw/zinc/55/03/05/354550305.db2.gz XBAOSRYTOOWBNA-NSHDSACASA-N 0 1 231.299 2.014 20 0 BEADMN C[C@@H]1C[N@@H+](C)CCN1c1nc2cc(F)ccc2o1 ZINC000335093701 354630725 /nfs/dbraw/zinc/63/07/25/354630725.db2.gz BTIVUZOYNPQPGV-SECBINFHSA-N 0 1 249.289 2.107 20 0 BEADMN C[C@@H]1CN(C)CCN1c1nc2cc(F)ccc2o1 ZINC000335093701 354630726 /nfs/dbraw/zinc/63/07/26/354630726.db2.gz BTIVUZOYNPQPGV-SECBINFHSA-N 0 1 249.289 2.107 20 0 BEADMN CCC(CC)(CC)CNC(=O)[C@@H]1CCCN1C ZINC000345378915 354645766 /nfs/dbraw/zinc/64/57/66/354645766.db2.gz KEWUMZCULKPHJJ-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000335111668 354697906 /nfs/dbraw/zinc/69/79/06/354697906.db2.gz QXYSOTXKJJTJIS-VXGBXAGGSA-N 0 1 225.719 2.468 20 0 BEADMN CC(C)(C(=O)NCc1cccs1)c1cnc[nH]1 ZINC000345632285 354719452 /nfs/dbraw/zinc/71/94/52/354719452.db2.gz AGFUHQYRXREYIE-UHFFFAOYSA-N 0 1 249.339 2.065 20 0 BEADMN COC(=O)[C@@H](C)[C@@H](NCCF)c1ccccc1 ZINC000345764314 354756311 /nfs/dbraw/zinc/75/63/11/354756311.db2.gz FEUHXYUPWPFMMQ-CMPLNLGQSA-N 0 1 239.290 2.096 20 0 BEADMN CO[C@@H](C)[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000639211920 354765654 /nfs/dbraw/zinc/76/56/54/354765654.db2.gz YRMTXGHUYPKXJL-ZJUUUORDSA-N 0 1 220.316 2.406 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000335124470 354766104 /nfs/dbraw/zinc/76/61/04/354766104.db2.gz OVYZYQBBOWFRFU-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1cc(C(=O)N(C)C2CC(C)(C)C2)n[nH]1 ZINC000335128711 354774901 /nfs/dbraw/zinc/77/49/01/354774901.db2.gz DAVYVXLLYRRTAW-UHFFFAOYSA-N 0 1 235.331 2.233 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@H](C)C(C)C)C[C@H]1C ZINC000345948229 354817618 /nfs/dbraw/zinc/81/76/18/354817618.db2.gz HRPCSYWBXQUORD-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC2CC2)C[C@H]1C ZINC000345961698 354821961 /nfs/dbraw/zinc/82/19/61/354821961.db2.gz OYPJGOUNAKOODC-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC(C)C)C[C@@H]1C ZINC000345982679 354832460 /nfs/dbraw/zinc/83/24/60/354832460.db2.gz MXTKCKPNGWLURU-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC(C)C)C[C@H]1C ZINC000345982660 354832484 /nfs/dbraw/zinc/83/24/84/354832484.db2.gz MXTKCKPNGWLURU-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cnc(CNCC(C)(C)c2ccccn2)o1 ZINC000639219538 354873565 /nfs/dbraw/zinc/87/35/65/354873565.db2.gz OGHRMBJCEJCHGZ-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CCNC(=O)[C@@H]2C)C1 ZINC000346227897 354874341 /nfs/dbraw/zinc/87/43/41/354874341.db2.gz YOKZRRMVBLPHEH-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@H]1CCC1(C)C ZINC000346200022 354875952 /nfs/dbraw/zinc/87/59/52/354875952.db2.gz QSAJOWFIASONCX-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2=CCCC2)C[C@H]1C ZINC000345988781 354834485 /nfs/dbraw/zinc/83/44/85/354834485.db2.gz QTFXVIFDNZGNDQ-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1ccc(CN(C)CCO)c(Cl)c1 ZINC000234295231 363419867 /nfs/dbraw/zinc/41/98/67/363419867.db2.gz JTLDRVKJOYBJMF-UHFFFAOYSA-N 0 1 213.708 2.073 20 0 BEADMN CCC1(CC)CN(CCC2CC2)CC[S@@]1=O ZINC000346013666 354839192 /nfs/dbraw/zinc/83/91/92/354839192.db2.gz IUXUXKAMALKADI-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H](N[C@@H]1C=CCCC1)c1ccn(C)n1 ZINC000335142026 354846829 /nfs/dbraw/zinc/84/68/29/354846829.db2.gz OFBHWXOGFZIVKI-WDEREUQCSA-N 0 1 205.305 2.179 20 0 BEADMN CCC[C@H](CNCc1cc(C2CC2)no1)OC ZINC000639216485 354847719 /nfs/dbraw/zinc/84/77/19/354847719.db2.gz IWDPOURCDPCLQI-LLVKDONJSA-N 0 1 238.331 2.457 20 0 BEADMN CCC[C@@H](CNCc1cc(C2CC2)no1)OC ZINC000639216486 354847911 /nfs/dbraw/zinc/84/79/11/354847911.db2.gz IWDPOURCDPCLQI-NSHDSACASA-N 0 1 238.331 2.457 20 0 BEADMN Cc1ccc(NC(=O)[C@H](N)c2ccccc2)nc1 ZINC000040458841 358490877 /nfs/dbraw/zinc/49/08/77/358490877.db2.gz PNRRUUOZOPTMDO-CYBMUJFWSA-N 0 1 241.294 2.029 20 0 BEADMN CCCN(CC)CC(=O)Nc1ccccc1F ZINC000346349768 354887861 /nfs/dbraw/zinc/88/78/61/354887861.db2.gz QEFZPAFDMFLGQS-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN O[C@@H]1CC[C@H]2CN(Cc3ccc(Cl)o3)C[C@H]12 ZINC000346313478 354893064 /nfs/dbraw/zinc/89/30/64/354893064.db2.gz INPBVMBCSKOWNR-INTQDDNPSA-N 0 1 241.718 2.136 20 0 BEADMN c1cn2c(n1)CN(CCC1CCCC1)CC2 ZINC000335163423 354902787 /nfs/dbraw/zinc/90/27/87/354902787.db2.gz TUQAEZZDYSGPMK-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CC[N@H+]1C[C@@H](C)N(Cc2cccnc2C)C[C@@H]1C ZINC000335162984 354916007 /nfs/dbraw/zinc/91/60/07/354916007.db2.gz QSIPABYQEHVUEM-QWHCGFSZSA-N 0 1 247.386 2.305 20 0 BEADMN C[N@@H+](CCc1ccccc1O)CC1=CCCOC1 ZINC000346368940 354919752 /nfs/dbraw/zinc/91/97/52/354919752.db2.gz JGHQJHMUJVZISM-UHFFFAOYSA-N 0 1 247.338 2.213 20 0 BEADMN Cc1c[nH]nc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000335164969 354920303 /nfs/dbraw/zinc/92/03/03/354920303.db2.gz ACDGGAZTYISRQZ-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1c[nH]nc1C[N@H+](C)C1CC(C)(C)C1 ZINC000335164969 354920308 /nfs/dbraw/zinc/92/03/08/354920308.db2.gz ACDGGAZTYISRQZ-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1c[nH]nc1CN(C)C1CC(C)(C)C1 ZINC000335164969 354920310 /nfs/dbraw/zinc/92/03/10/354920310.db2.gz ACDGGAZTYISRQZ-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN CC(C)(C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000335174148 354940439 /nfs/dbraw/zinc/94/04/39/354940439.db2.gz NIRHQCUDFPSKFS-UHFFFAOYSA-N 0 1 249.289 2.478 20 0 BEADMN CCOC(=O)[C@@H](C)N(CC1CCC1)C1CC1 ZINC000346417425 354950856 /nfs/dbraw/zinc/95/08/56/354950856.db2.gz OIBDUXOZXYSAOP-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCCN1C ZINC000346472808 354955462 /nfs/dbraw/zinc/95/54/62/354955462.db2.gz LADCYSUIUIHQPO-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCCN1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000346596791 354988726 /nfs/dbraw/zinc/98/87/26/354988726.db2.gz USLPUMUGGJHAQF-UHFFFAOYSA-N 0 1 248.374 2.132 20 0 BEADMN CCc1nc(C)c(CN2CCOC[C@H](C)C2)o1 ZINC000335200462 355034006 /nfs/dbraw/zinc/03/40/06/355034006.db2.gz ULCNLAGSWXBQMV-SNVBAGLBSA-N 0 1 238.331 2.014 20 0 BEADMN CC[C@@](C)(CNCc1cc(C2CC2)no1)OC ZINC000639226104 355077169 /nfs/dbraw/zinc/07/71/69/355077169.db2.gz CFQIRHGTLBGXLJ-ZDUSSCGKSA-N 0 1 238.331 2.457 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@H]1C(F)F ZINC000335180728 355077863 /nfs/dbraw/zinc/07/78/63/355077863.db2.gz PQVLAJDLKDYULA-JTQLQIEISA-N 0 1 229.274 2.338 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc2nc(C)cc(C)n12 ZINC000335226940 355068831 /nfs/dbraw/zinc/06/88/31/355068831.db2.gz QQFSSHTWMDOVGR-GFCCVEGCSA-N 0 1 244.342 2.330 20 0 BEADMN C[N@H+]1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000335227448 355069265 /nfs/dbraw/zinc/06/92/65/355069265.db2.gz PFNDJAVOGAJSQE-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CN1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000335227448 355069268 /nfs/dbraw/zinc/06/92/68/355069268.db2.gz PFNDJAVOGAJSQE-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cn1cc(CN2CC(C)(C)CC(C)(C)C2)nn1 ZINC000335232418 355093204 /nfs/dbraw/zinc/09/32/04/355093204.db2.gz LZYWKEXRSZAWGU-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@H](F)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335237186 355098073 /nfs/dbraw/zinc/09/80/73/355098073.db2.gz FFMLQRPFYRLFLG-NWDGAFQWSA-N 0 1 215.312 2.237 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC000346899561 355148457 /nfs/dbraw/zinc/14/84/57/355148457.db2.gz MNALJPALLWDNHU-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN c1cc(CN2CCSC[C@H]2C2CC2)sn1 ZINC000639231722 355212732 /nfs/dbraw/zinc/21/27/32/355212732.db2.gz QLIITAJTNAFHSD-NSHDSACASA-N 0 1 240.397 2.471 20 0 BEADMN CCC[C@H](N[C@H](C)C(=O)NCC)c1ccccn1 ZINC000346978785 355212770 /nfs/dbraw/zinc/21/27/70/355212770.db2.gz CSSZJZCLEWHLPC-YPMHNXCESA-N 0 1 249.358 2.037 20 0 BEADMN c1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)no1 ZINC000639232888 355214894 /nfs/dbraw/zinc/21/48/94/355214894.db2.gz QQCPIVBDQSGRHP-CHWSQXEVSA-N 0 1 218.300 2.295 20 0 BEADMN CCc1c[nH]c(S[C@@H](C)c2n[nH]c(C)n2)n1 ZINC000412997855 191333994 /nfs/dbraw/zinc/33/39/94/191333994.db2.gz IWIWDRFDZVCWSZ-LURJTMIESA-N 0 1 237.332 2.252 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000639240346 355224616 /nfs/dbraw/zinc/22/46/16/355224616.db2.gz PFOILDBFMBTJJU-QWRGUYRKSA-N 0 1 206.289 2.119 20 0 BEADMN CSCCCSCCN1CCO[C@@H](C)C1 ZINC000413008241 191339019 /nfs/dbraw/zinc/33/90/19/191339019.db2.gz NAVBGHSMUZMPBT-NSHDSACASA-N 0 1 249.445 2.193 20 0 BEADMN CC[C@@H]1CCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623219286 355241679 /nfs/dbraw/zinc/24/16/79/355241679.db2.gz USJHPSYBOLOLMU-JLLWLGSASA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@@H](NCc1nc2ccccc2o1)[C@H](C)O ZINC000639236611 355219153 /nfs/dbraw/zinc/21/91/53/355219153.db2.gz QUJQIIQIVLYCSD-VHSXEESVSA-N 0 1 234.299 2.077 20 0 BEADMN CCC[N@@H+](CC(=O)OCC)CC1(SC)CC1 ZINC000347672883 355260671 /nfs/dbraw/zinc/26/06/71/355260671.db2.gz RJBDCMZWVKHHTP-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CCCN(CC(=O)OCC)CC1(SC)CC1 ZINC000347672883 355260673 /nfs/dbraw/zinc/26/06/73/355260673.db2.gz RJBDCMZWVKHHTP-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CN(Cc1ccns1)[C@@H](CO)CC(C)(C)C ZINC000639245977 355274293 /nfs/dbraw/zinc/27/42/93/355274293.db2.gz PLZGVBULOQRSSB-SNVBAGLBSA-N 0 1 242.388 2.372 20 0 BEADMN CCc1nsc(NCCC2CC(F)(F)C2)n1 ZINC000413345458 191373956 /nfs/dbraw/zinc/37/39/56/191373956.db2.gz UETMZNSMPMGVMK-UHFFFAOYSA-N 0 1 247.314 2.370 20 0 BEADMN CCO[C@H]1C[C@@H](Nc2ccnc(C)c2Cl)C1 ZINC000413390804 191379629 /nfs/dbraw/zinc/37/96/29/191379629.db2.gz ZSBOWBIJGKNLDQ-AOOOYVTPSA-N 0 1 240.734 2.445 20 0 BEADMN C[N@@H+](CC1CCCCC1)[C@@H](C(=O)[O-])C1CC1 ZINC000084094108 355288719 /nfs/dbraw/zinc/28/87/19/355288719.db2.gz IHJHFFGMSPMXOP-GFCCVEGCSA-N 0 1 225.332 2.362 20 0 BEADMN CCn1ccc(CN[C@H](C)[C@@H]2CC2(F)F)n1 ZINC000639261385 355313467 /nfs/dbraw/zinc/31/34/67/355313467.db2.gz KFRODKZVEFVOCF-SCZZXKLOSA-N 0 1 229.274 2.036 20 0 BEADMN CCn1ccc(CN[C@H](C)[C@H]2CC2(F)F)n1 ZINC000639261384 355313496 /nfs/dbraw/zinc/31/34/96/355313496.db2.gz KFRODKZVEFVOCF-PSASIEDQSA-N 0 1 229.274 2.036 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352016787 134036860 /nfs/dbraw/zinc/03/68/60/134036860.db2.gz ZROXHADAACPEOQ-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CC[C@H](CNCc2cc(C3CC3)no2)O1 ZINC000639249685 355280226 /nfs/dbraw/zinc/28/02/26/355280226.db2.gz LBJFBJISYOIXAV-GXSJLCMTSA-N 0 1 236.315 2.209 20 0 BEADMN CCC[C@H](CN1CC[N@H+](CC)C[C@@H]1CC)OC ZINC000639251140 355283420 /nfs/dbraw/zinc/28/34/20/355283420.db2.gz XYSUYRQEPQUAKE-UONOGXRCSA-N 0 1 242.407 2.218 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1sccc1Cl ZINC000388956672 355379955 /nfs/dbraw/zinc/37/99/55/355379955.db2.gz CHROEWSEMDSSTQ-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN Cc1cnc(CNC[C@H](C)CC(F)F)o1 ZINC000639283362 355380016 /nfs/dbraw/zinc/38/00/16/355380016.db2.gz PTNCOXVUSRBPEV-SSDOTTSWSA-N 0 1 218.247 2.364 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000335740262 355389793 /nfs/dbraw/zinc/38/97/93/355389793.db2.gz ZUMFRCZMTLLBNK-SCZZXKLOSA-N 0 1 247.264 2.491 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC000583505230 355338401 /nfs/dbraw/zinc/33/84/01/355338401.db2.gz XGMZMEZARHIDHG-SKDRFNHKSA-N 0 1 237.274 2.436 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccccc1F ZINC000033468490 355354499 /nfs/dbraw/zinc/35/44/99/355354499.db2.gz HZUAUUPYOOOSNJ-UHFFFAOYSA-N 0 1 239.290 2.368 20 0 BEADMN CC[C@@](C)(C[N@H+]1CCOC[C@@H]1C1CCC1)OC ZINC000639285571 355391359 /nfs/dbraw/zinc/39/13/59/355391359.db2.gz NLLAYPQIYFRCJB-KGLIPLIRSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1c(O)cccc1F ZINC000335757307 355393503 /nfs/dbraw/zinc/39/35/03/355393503.db2.gz CPHBPWSEGZQXFY-JTQLQIEISA-N 0 1 237.274 2.402 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000335779078 355405953 /nfs/dbraw/zinc/40/59/53/355405953.db2.gz KWFVQORJMMZBMF-STQMWFEESA-N 0 1 248.374 2.481 20 0 BEADMN CC(C)n1ncnc1CN1[C@@H](C)CC[C@@H]1C ZINC000335779426 355406982 /nfs/dbraw/zinc/40/69/82/355406982.db2.gz SGTBFSDJLUSDFG-QWRGUYRKSA-N 0 1 222.336 2.232 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2cccc(F)c21 ZINC000335786841 355436931 /nfs/dbraw/zinc/43/69/31/355436931.db2.gz ZMBIJMVOCSEASR-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H]2CCC[C@@H]21 ZINC000335786842 355436988 /nfs/dbraw/zinc/43/69/88/355436988.db2.gz AIESQBMBSKEQKG-NEPJUHHUSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000335789734 355440945 /nfs/dbraw/zinc/44/09/45/355440945.db2.gz MVBBTXZZWMKWQA-RYUDHWBXSA-N 0 1 238.375 2.260 20 0 BEADMN Cn1ncc(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000335792994 355445957 /nfs/dbraw/zinc/44/59/57/355445957.db2.gz INOBGXFELDUBBX-GXSJLCMTSA-N 0 1 239.750 2.448 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@@H]2CCC[C@H]21 ZINC000335792994 355445958 /nfs/dbraw/zinc/44/59/58/355445958.db2.gz INOBGXFELDUBBX-GXSJLCMTSA-N 0 1 239.750 2.448 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccn(C)n1 ZINC000349771837 355453565 /nfs/dbraw/zinc/45/35/65/355453565.db2.gz AVJAQWDSCYYXBK-YUTCNCBUSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nn(C(C)C)cc1CN1CC(C)C1 ZINC000335798534 355456454 /nfs/dbraw/zinc/45/64/54/355456454.db2.gz BHMFHCAFUPWBDX-UHFFFAOYSA-N 0 1 207.321 2.224 20 0 BEADMN CC(C)N1CCN(Cc2ccc(Cl)o2)CC1 ZINC000349799823 355464836 /nfs/dbraw/zinc/46/48/36/355464836.db2.gz BMWBPEWKHIHGEM-UHFFFAOYSA-N 0 1 242.750 2.459 20 0 BEADMN C[C@@H](N[C@@H](C)CCn1cccn1)c1ccon1 ZINC000349832419 355489299 /nfs/dbraw/zinc/48/92/99/355489299.db2.gz JIRIBFLXQIBMHI-WDEREUQCSA-N 0 1 234.303 2.001 20 0 BEADMN C[C@H]1N(Cc2cccn2C)CCOC1(C)C ZINC000335835503 355562071 /nfs/dbraw/zinc/56/20/71/355562071.db2.gz XOOIDASNXWDWHH-LLVKDONJSA-N 0 1 222.332 2.024 20 0 BEADMN CC(C)(C)c1n[nH]c(SC2CCOCC2)n1 ZINC000335828412 355555322 /nfs/dbraw/zinc/55/53/22/355555322.db2.gz PEVFEDRRMJBHIW-UHFFFAOYSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(SC2CCOCC2)n[nH]1 ZINC000335828412 355555323 /nfs/dbraw/zinc/55/53/23/355555323.db2.gz PEVFEDRRMJBHIW-UHFFFAOYSA-N 0 1 241.360 2.373 20 0 BEADMN CCN(CCOC)Cc1cnc2ccc(C)cn12 ZINC000349860054 355506833 /nfs/dbraw/zinc/50/68/33/355506833.db2.gz COOLHRPGMFPRJC-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)[nH]1 ZINC000335817435 355508115 /nfs/dbraw/zinc/50/81/15/355508115.db2.gz ITUTZXMERMZUDH-NEPJUHHUSA-N 0 1 234.347 2.268 20 0 BEADMN O=C(N[C@@H]1CC12CCCC2)[C@H]1CCCN1C1CC1 ZINC000335845908 355589294 /nfs/dbraw/zinc/58/92/94/355589294.db2.gz IZYVADUTKUYQFC-CHWSQXEVSA-N 0 1 248.370 2.062 20 0 BEADMN Cc1ncc(C(=O)N2Cc3ccc(C)cc3C2)[nH]1 ZINC000335847119 355590450 /nfs/dbraw/zinc/59/04/50/355590450.db2.gz QNTQWSSQDFRVTI-UHFFFAOYSA-N 0 1 241.294 2.183 20 0 BEADMN CC1CCC(NC(=O)c2coc(CN)c2)CC1 ZINC000335839305 355569071 /nfs/dbraw/zinc/56/90/71/355569071.db2.gz FQUTXTQZATVQQD-UHFFFAOYSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1ccoc1CN1CCC(O)(C(F)F)CC1 ZINC000335878020 355648439 /nfs/dbraw/zinc/64/84/39/355648439.db2.gz KTXILZIOWSMAES-UHFFFAOYSA-N 0 1 245.269 2.180 20 0 BEADMN c1nnn2c1CN(CCC1CCCCCC1)CC2 ZINC000583573338 355655577 /nfs/dbraw/zinc/65/55/77/355655577.db2.gz QVUVTHHJJWNUAW-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cc(C3CC3)no2)C1 ZINC000639309453 355665466 /nfs/dbraw/zinc/66/54/66/355665466.db2.gz BACYRHUSWLTQCO-XYPYZODXSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1cnc(CNCCc2cnccc2C)o1 ZINC000639310435 355668069 /nfs/dbraw/zinc/66/80/69/355668069.db2.gz WWFAOGIVNDYLCW-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1cccc2[nH]ccc21 ZINC000335863036 355626844 /nfs/dbraw/zinc/62/68/44/355626844.db2.gz HRULBZDVWMQEJH-NEPJUHHUSA-N 0 1 248.301 2.073 20 0 BEADMN C[N@@H+](Cc1cccc2c[nH]nc21)[C@H]1CCCOC1 ZINC000335870003 355636014 /nfs/dbraw/zinc/63/60/14/355636014.db2.gz OOQCSMBBGUMWKI-ZDUSSCGKSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335870989 355636995 /nfs/dbraw/zinc/63/69/95/355636995.db2.gz QOEHKSFGWCHBJO-KOLCDFICSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@@H](C)C2)on1 ZINC000336006803 134049235 /nfs/dbraw/zinc/04/92/35/134049235.db2.gz NFGWIDLBPXDHRO-SECBINFHSA-N 0 1 206.289 2.381 20 0 BEADMN CC(C)n1ccnc1CN1CCC2(CCO2)CC1 ZINC000367106452 355704665 /nfs/dbraw/zinc/70/46/65/355704665.db2.gz JBWZDXUVSUZLJP-UHFFFAOYSA-N 0 1 249.358 2.219 20 0 BEADMN NC(=O)[C@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000328884078 181205416 /nfs/dbraw/zinc/20/54/16/181205416.db2.gz MPYOLRJISGYOIO-VXGBXAGGSA-N 0 1 238.331 2.111 20 0 BEADMN FC1(F)C[C@@]12CCN(Cc1ccns1)C2 ZINC000639313278 355685344 /nfs/dbraw/zinc/68/53/44/355685344.db2.gz PDDBVHZZSHQDHU-SECBINFHSA-N 0 1 230.283 2.374 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1N ZINC000335893179 355686424 /nfs/dbraw/zinc/68/64/24/355686424.db2.gz QTPBSRIXJNZPKY-QWRGUYRKSA-N 0 1 247.342 2.080 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)c2)[C@H](C(N)=O)C1 ZINC000335893411 355687111 /nfs/dbraw/zinc/68/71/11/355687111.db2.gz NCPRMJZLLIVSOD-PWSUYJOCSA-N 0 1 235.331 2.161 20 0 BEADMN CCCCOCCN1CCO[C@H]2CCC[C@H]21 ZINC000350662273 355738888 /nfs/dbraw/zinc/73/88/88/355738888.db2.gz SYQXDLWUYGEKHP-OLZOCXBDSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@@H](NC[C@@H]1CCCC[C@H]1O)c1cscn1 ZINC000583606836 355743708 /nfs/dbraw/zinc/74/37/08/355743708.db2.gz KUBOXJIJWNJKON-JFGNBEQYSA-N 0 1 240.372 2.345 20 0 BEADMN CC(C)=CCNCc1c(Cl)cnn1C ZINC000191629324 355757056 /nfs/dbraw/zinc/75/70/56/355757056.db2.gz LDHJSRNRQUMTRH-UHFFFAOYSA-N 0 1 213.712 2.129 20 0 BEADMN COc1cccc(CNCC=C(C)C)n1 ZINC000191631175 355757979 /nfs/dbraw/zinc/75/79/79/355757979.db2.gz TYCKLKDBYQSXTD-UHFFFAOYSA-N 0 1 206.289 2.146 20 0 BEADMN CCC(C)(C)OC1CN(C[C@@H](OC)C2CC2)C1 ZINC000639348769 355789764 /nfs/dbraw/zinc/78/97/64/355789764.db2.gz IJVGDUBQNKCVDL-CYBMUJFWSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H]1COCCN1Cc1cccc(N(C)C)c1 ZINC000608497835 355824921 /nfs/dbraw/zinc/82/49/21/355824921.db2.gz HNISITCUJIZMJU-AWEZNQCLSA-N 0 1 248.370 2.363 20 0 BEADMN CC1(C)OC[C@@H]2C[C@@]21NCc1cc(C2CC2)no1 ZINC000639349646 355791073 /nfs/dbraw/zinc/79/10/73/355791073.db2.gz PZTUYJOTSQOOIO-IINYFYTJSA-N 0 1 248.326 2.209 20 0 BEADMN c1c(CN[C@@H]2CO[C@H](C3CC3)C2)onc1C1CC1 ZINC000639355379 355809342 /nfs/dbraw/zinc/80/93/42/355809342.db2.gz SWWQLEHEXGQHMI-FZMZJTMJSA-N 0 1 248.326 2.209 20 0 BEADMN Cc1c(CN2CC(c3ccccc3)C2)cnn1C ZINC000639361427 355815290 /nfs/dbraw/zinc/81/52/90/355815290.db2.gz AXCGZLVPVRVIIN-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN Cc1cnn(C)c1CN1CC(c2ccccc2)C1 ZINC000639361477 355815536 /nfs/dbraw/zinc/81/55/36/355815536.db2.gz CZNKGKZGZMRROT-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN Cn1cncc1CN1CC(c2ccccc2)C1 ZINC000639361910 355816119 /nfs/dbraw/zinc/81/61/19/355816119.db2.gz YHBKAVLLNFVVNS-UHFFFAOYSA-N 0 1 227.311 2.020 20 0 BEADMN CCC[C@@H](CCO)NCc1nc2ccccc2o1 ZINC000639362726 355818554 /nfs/dbraw/zinc/81/85/54/355818554.db2.gz JVYPUKZIBZHNFE-NSHDSACASA-N 0 1 248.326 2.469 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cnn(C)c1 ZINC000336055179 134066007 /nfs/dbraw/zinc/06/60/07/134066007.db2.gz PNOUGMKDNMOFCY-WCBMZHEXSA-N 0 1 247.264 2.193 20 0 BEADMN COCC1(C2CC2)CN(Cc2cccc(O)c2)C1 ZINC000639379637 355915473 /nfs/dbraw/zinc/91/54/73/355915473.db2.gz IMVHRMSMTVDNEY-UHFFFAOYSA-N 0 1 247.338 2.251 20 0 BEADMN Cc1cc(CNC2(C)COC2)cc2cccnc12 ZINC000639381549 355917974 /nfs/dbraw/zinc/91/79/74/355917974.db2.gz XGZGZCCGDCJAOU-UHFFFAOYSA-N 0 1 242.322 2.422 20 0 BEADMN Cc1cccc2[nH]c(CNC3(C)COC3)cc21 ZINC000639381048 355918224 /nfs/dbraw/zinc/91/82/24/355918224.db2.gz NZRWXGRKDJIGLF-UHFFFAOYSA-N 0 1 230.311 2.355 20 0 BEADMN Cc1cc(CNC2(C)COC2)c(C)s1 ZINC000639380806 355919751 /nfs/dbraw/zinc/91/97/51/355919751.db2.gz KPVBBIVXZHYXTE-UHFFFAOYSA-N 0 1 211.330 2.243 20 0 BEADMN CN(Cc1nccn1C)[C@@H]1CCC(C)(C)C1 ZINC000336045820 134063492 /nfs/dbraw/zinc/06/34/92/134063492.db2.gz YQKHWJYIMXHASB-LLVKDONJSA-N 0 1 221.348 2.431 20 0 BEADMN CN(Cc1nccn1C)[C@H]1CCC(C)(C)C1 ZINC000336045821 134063664 /nfs/dbraw/zinc/06/36/64/134063664.db2.gz YQKHWJYIMXHASB-NSHDSACASA-N 0 1 221.348 2.431 20 0 BEADMN Cc1cnn(C)c1CN1CCC(CCF)CC1 ZINC000639376378 355898598 /nfs/dbraw/zinc/89/85/98/355898598.db2.gz GUKIITWVRNMPRT-UHFFFAOYSA-N 0 1 239.338 2.300 20 0 BEADMN CC1(F)CCN(Cc2ccc(CO)o2)CC1 ZINC000639388445 356006597 /nfs/dbraw/zinc/00/65/97/356006597.db2.gz BPPRRZUEFCTVEA-UHFFFAOYSA-N 0 1 227.279 2.096 20 0 BEADMN CCc1nocc1CN1CCC(COC)CC1 ZINC000351450160 355993632 /nfs/dbraw/zinc/99/36/32/355993632.db2.gz IPAJOMJPNKCBOE-UHFFFAOYSA-N 0 1 238.331 2.095 20 0 BEADMN Cc1cc(C(=O)N2CCCCC(C)(C)C2)n[nH]1 ZINC000336063967 134069735 /nfs/dbraw/zinc/06/97/35/134069735.db2.gz CMYPCTALFIOTAX-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](CC)c1ccc(F)cn1 ZINC000582221134 355962697 /nfs/dbraw/zinc/96/26/97/355962697.db2.gz RWEVNXRMBNNMLS-RAIGVLPGSA-N 0 1 238.306 2.439 20 0 BEADMN COCCN(Cc1ccon1)[C@H]1CCC[C@H]1C ZINC000351644572 356041732 /nfs/dbraw/zinc/04/17/32/356041732.db2.gz AKQUBIWDMMEZHB-YPMHNXCESA-N 0 1 238.331 2.312 20 0 BEADMN CC1(F)CCN(Cc2cnc3cnccn23)CC1 ZINC000639388846 356008355 /nfs/dbraw/zinc/00/83/55/356008355.db2.gz NYAKIQPLQLHYIB-UHFFFAOYSA-N 0 1 248.305 2.053 20 0 BEADMN CC(C)[C@@H](CO)NCc1cc(C(C)(C)C)on1 ZINC000351593429 356024870 /nfs/dbraw/zinc/02/48/70/356024870.db2.gz NSOFWZSBVZDTTQ-LLVKDONJSA-N 0 1 240.347 2.079 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C3CC3)C2)o1 ZINC000335912004 356128224 /nfs/dbraw/zinc/12/82/24/356128224.db2.gz BPXPJDSGKLGZEC-GZMMTYOYSA-N 0 1 221.304 2.171 20 0 BEADMN CCOC(=O)CN(CCCCF)C(C)(C)C ZINC000351883232 356128252 /nfs/dbraw/zinc/12/82/52/356128252.db2.gz UJHKIDRESUNMPF-UHFFFAOYSA-N 0 1 233.327 2.400 20 0 BEADMN Cc1csc(CN2CCC[C@H](CCO)C2)n1 ZINC000087396333 491086981 /nfs/dbraw/zinc/08/69/81/491086981.db2.gz IZCOLCCEUXWLOO-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN CC1(C)CC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000613495197 363459334 /nfs/dbraw/zinc/45/93/34/363459334.db2.gz DWJOMLDSCDLRPT-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN CC1(C)CC[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000613495197 363459336 /nfs/dbraw/zinc/45/93/36/363459336.db2.gz DWJOMLDSCDLRPT-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000617573020 356138614 /nfs/dbraw/zinc/13/86/14/356138614.db2.gz UVXMLQFSIRXUCO-SECBINFHSA-N 0 1 249.358 2.453 20 0 BEADMN CC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000639433357 356212234 /nfs/dbraw/zinc/21/22/34/356212234.db2.gz MPFQMANINXFDIF-CYBMUJFWSA-N 0 1 203.285 2.413 20 0 BEADMN CCCCN(CC)CC(=O)Nc1ccccn1 ZINC000639436415 356213304 /nfs/dbraw/zinc/21/33/04/356213304.db2.gz HQEASRHYDYJMTP-UHFFFAOYSA-N 0 1 235.331 2.142 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(Cl)o1 ZINC000336107381 134082703 /nfs/dbraw/zinc/08/27/03/134082703.db2.gz HCTWRXDEPHDYSY-RKDXNWHRSA-N 0 1 229.707 2.136 20 0 BEADMN COc1ccnc(CN2CCC23CCC3)c1 ZINC000336101504 134083291 /nfs/dbraw/zinc/08/32/91/134083291.db2.gz VKXGDLKHQGNSJP-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN COC[C@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000526114285 356226360 /nfs/dbraw/zinc/22/63/60/356226360.db2.gz HLPIRZWULUFTBE-HIFRSBDPSA-N 0 1 249.354 2.342 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1ccccn1 ZINC000639448429 356228727 /nfs/dbraw/zinc/22/87/27/356228727.db2.gz QBBNTJKIXDCRSH-LLVKDONJSA-N 0 1 235.331 2.141 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000617636992 356231831 /nfs/dbraw/zinc/23/18/31/356231831.db2.gz LOKCNCDMLBHNHT-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H]1CCCCN1C ZINC000617636992 356231834 /nfs/dbraw/zinc/23/18/34/356231834.db2.gz LOKCNCDMLBHNHT-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000584356519 356197313 /nfs/dbraw/zinc/19/73/13/356197313.db2.gz QDLIAZUNFYBBRK-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN COc1ccc([C@@H]2CCN(CC(C)=O)C2)cc1 ZINC000639473091 356264291 /nfs/dbraw/zinc/26/42/91/356264291.db2.gz PDKZFKANDWVBMI-CYBMUJFWSA-N 0 1 233.311 2.074 20 0 BEADMN CC(C)c1nc(CN2CCC[C@@H](C)C2)n[nH]1 ZINC000336115706 134088196 /nfs/dbraw/zinc/08/81/96/134088196.db2.gz WHSMVEAAOYGSRI-SNVBAGLBSA-N 0 1 222.336 2.160 20 0 BEADMN Cc1ncc(CN(C)Cc2cc[nH]c(=O)c2)s1 ZINC000639453776 356237914 /nfs/dbraw/zinc/23/79/14/356237914.db2.gz MCWSFHXFVTUGAJ-UHFFFAOYSA-N 0 1 249.339 2.184 20 0 BEADMN CCC(F)(F)CN1CCN(CC2CC2)CC1 ZINC000639455285 356240595 /nfs/dbraw/zinc/24/05/95/356240595.db2.gz NTCAUVDQHDTYGJ-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccccn2)CC1 ZINC000639461736 356244807 /nfs/dbraw/zinc/24/48/07/356244807.db2.gz HASDTNAEWRZFBT-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN Cc1nnc(C[N@@H+]2C[C@H](C)CC2(C)C)s1 ZINC000336119910 134090105 /nfs/dbraw/zinc/09/01/05/134090105.db2.gz QJZBYPROXAEUKB-MRVPVSSYSA-N 0 1 225.361 2.467 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CC2(C)C)s1 ZINC000336119910 134090106 /nfs/dbraw/zinc/09/01/06/134090106.db2.gz QJZBYPROXAEUKB-MRVPVSSYSA-N 0 1 225.361 2.467 20 0 BEADMN C(c1noc(CN2C[C@@H]3CCC[C@H]3C2)n1)C1CC1 ZINC000639516038 356353350 /nfs/dbraw/zinc/35/33/50/356353350.db2.gz OOFVGLKWXJIFBR-RYUDHWBXSA-N 0 1 247.342 2.254 20 0 BEADMN CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)[O-] ZINC000236977381 363462489 /nfs/dbraw/zinc/46/24/89/363462489.db2.gz LSDRLMANASWRQO-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN1CCS(=O)CC1 ZINC000191065796 358502297 /nfs/dbraw/zinc/50/22/97/358502297.db2.gz XVOGYCKVDDKOQX-OLZOCXBDSA-N 0 1 241.400 2.043 20 0 BEADMN C[C@H]1OCC[C@@H]1CN1CCC[C@H]1C(F)F ZINC000639555727 356458278 /nfs/dbraw/zinc/45/82/78/356458278.db2.gz RPXLFEIWUCXQLB-BBBLOLIVSA-N 0 1 219.275 2.141 20 0 BEADMN CCN1C[C@@H](C)N(CC(F)(F)CC)C[C@H]1C ZINC000639556575 356459500 /nfs/dbraw/zinc/45/95/00/356459500.db2.gz OWDFVKCIQFGNAS-GHMZBOCLSA-N 0 1 234.334 2.446 20 0 BEADMN CCC(F)(F)CN1C[C@H](C)N(C)C[C@H]1C ZINC000639557819 356462345 /nfs/dbraw/zinc/46/23/45/356462345.db2.gz QMCHKSPVFPQYGI-VHSXEESVSA-N 0 1 220.307 2.056 20 0 BEADMN C(Nc1nc(C2CCCC2)ns1)C1CC1 ZINC000420593016 192247937 /nfs/dbraw/zinc/24/79/37/192247937.db2.gz ZQLBXEOJGYYEMR-UHFFFAOYSA-N 0 1 223.345 2.440 20 0 BEADMN O=C([O-])C[N@@H+](CCCCC(F)(F)F)C1CC1 ZINC000581016709 356439942 /nfs/dbraw/zinc/43/99/42/356439942.db2.gz BSPDMZOZGMAJLT-UHFFFAOYSA-N 0 1 239.237 2.268 20 0 BEADMN CCn1ccnc1CN1CCSC[C@H](C)C1 ZINC000190399065 356443631 /nfs/dbraw/zinc/44/36/31/356443631.db2.gz DALMFXZXBVYXFD-LLVKDONJSA-N 0 1 239.388 2.088 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1c(Cl)cnn1C ZINC000336164505 134112722 /nfs/dbraw/zinc/11/27/22/134112722.db2.gz LTGLBBCWVMMNJI-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@H](CNC(=O)c1ccc(F)cc1O)C1CC1 ZINC000228308943 491093078 /nfs/dbraw/zinc/09/30/78/491093078.db2.gz BVAQPRVWAPPQHE-MRVPVSSYSA-N 0 1 237.274 2.307 20 0 BEADMN Cc1nc(N2C[C@@H](C)N(C)C[C@H]2C)sc1C ZINC000336167117 134113435 /nfs/dbraw/zinc/11/34/35/134113435.db2.gz PWJVQTJXMGRUPV-RKDXNWHRSA-N 0 1 239.388 2.289 20 0 BEADMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038869358 356492461 /nfs/dbraw/zinc/49/24/61/356492461.db2.gz HFJVQKFQGDMYEC-OAHLLOKOSA-N 0 1 246.354 2.035 20 0 BEADMN CC(C)[C@H]1CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639572018 356496203 /nfs/dbraw/zinc/49/62/03/356496203.db2.gz MTNRMPQCBXBNIQ-QWHCGFSZSA-N 0 1 241.375 2.158 20 0 BEADMN COC[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000352233174 134113978 /nfs/dbraw/zinc/11/39/78/134113978.db2.gz AOSFGSSHNXYENI-LLVKDONJSA-N 0 1 246.310 2.296 20 0 BEADMN CC(=O)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000639577541 356499513 /nfs/dbraw/zinc/49/95/13/356499513.db2.gz KMCMBBDYDVILMP-CQSZACIVSA-N 0 1 217.312 2.373 20 0 BEADMN CC[C@@H]1Cc2ccccc2C[N@H+]1CC(C)=O ZINC000639587691 356504786 /nfs/dbraw/zinc/50/47/86/356504786.db2.gz YJJHJJOEJDFCLN-CQSZACIVSA-N 0 1 217.312 2.412 20 0 BEADMN CC[C@@H]1Cc2ccccc2CN1CC(C)=O ZINC000639587691 356504791 /nfs/dbraw/zinc/50/47/91/356504791.db2.gz YJJHJJOEJDFCLN-CQSZACIVSA-N 0 1 217.312 2.412 20 0 BEADMN CC(C)c1cc(NC[C@@H]2C[C@@H]2C)nc(N(C)C)n1 ZINC000578105244 366251021 /nfs/dbraw/zinc/25/10/21/366251021.db2.gz QXOVXNQKNXOLCP-QWRGUYRKSA-N 0 1 248.374 2.156 20 0 BEADMN CC(C)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)C)n1 ZINC000578105245 366251343 /nfs/dbraw/zinc/25/13/43/366251343.db2.gz QXOVXNQKNXOLCP-WDEREUQCSA-N 0 1 248.374 2.156 20 0 BEADMN c1coc([C@@H]2CN(CC3CCC3)CCO2)c1 ZINC000336172526 134115783 /nfs/dbraw/zinc/11/57/83/134115783.db2.gz DTSCZICAXKJZFG-ZDUSSCGKSA-N 0 1 221.300 2.453 20 0 BEADMN C[C@@H]1C[C@@H]1CN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291785 356510167 /nfs/dbraw/zinc/51/01/67/356510167.db2.gz SMFNSXUHGGDIRG-NQBHXWOUSA-N 0 1 244.338 2.485 20 0 BEADMN CC[C@@](C)(O)CN(CC(C)=O)Cc1ccccc1 ZINC000639603558 356523426 /nfs/dbraw/zinc/52/34/26/356523426.db2.gz CMJYYHAVTNIXTH-OAHLLOKOSA-N 0 1 249.354 2.239 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@H](C)[C@@H](C)O1 ZINC000639603318 356524039 /nfs/dbraw/zinc/52/40/39/356524039.db2.gz NSKWXBXMVGIDQA-LPWJVIDDSA-N 0 1 241.375 2.299 20 0 BEADMN CC[C@@H]1CN(CCOCC2CC2)C[C@@H](CC)O1 ZINC000420961424 192282242 /nfs/dbraw/zinc/28/22/42/192282242.db2.gz SHVQZVVEJJRPNJ-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(CCOCC2CC2)C[C@H](CC)O1 ZINC000420961422 192282298 /nfs/dbraw/zinc/28/22/98/192282298.db2.gz SHVQZVVEJJRPNJ-OKILXGFUSA-N 0 1 241.375 2.302 20 0 BEADMN CC(=O)c1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1 ZINC000336193353 134124767 /nfs/dbraw/zinc/12/47/67/134124767.db2.gz PWNIQPBUZKZYOL-LBPRGKRZSA-N 0 1 247.338 2.358 20 0 BEADMN CC(=O)c1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000336193353 134124768 /nfs/dbraw/zinc/12/47/68/134124768.db2.gz PWNIQPBUZKZYOL-LBPRGKRZSA-N 0 1 247.338 2.358 20 0 BEADMN CC(=O)CN(C)C(C)(C)c1ccccc1 ZINC000639631714 356546258 /nfs/dbraw/zinc/54/62/58/356546258.db2.gz QKOCRRZMJCLTHR-UHFFFAOYSA-N 0 1 205.301 2.443 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@H](C(C)C)C1 ZINC000639612881 356537310 /nfs/dbraw/zinc/53/73/10/356537310.db2.gz LCLLKWNWXWYDJF-NSHDSACASA-N 0 1 234.334 2.304 20 0 BEADMN CNC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000421005020 192298196 /nfs/dbraw/zinc/29/81/96/192298196.db2.gz JABXSOWOPKRPOE-SNVBAGLBSA-N 0 1 240.372 2.266 20 0 BEADMN Cc1nc(C)c(CN2CC[C@]23CCOC3)s1 ZINC000421012020 192301439 /nfs/dbraw/zinc/30/14/39/192301439.db2.gz DXQTUUIQNRABJG-GFCCVEGCSA-N 0 1 238.356 2.125 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014174 192302888 /nfs/dbraw/zinc/30/28/88/192302888.db2.gz KDTDKMFYELNHNF-NWDGAFQWSA-N 0 1 217.328 2.219 20 0 BEADMN OCC[C@@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000421018503 192303496 /nfs/dbraw/zinc/30/34/96/192303496.db2.gz OPJINVHTGXKJOC-CYBMUJFWSA-N 0 1 234.343 2.066 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421019938 192304407 /nfs/dbraw/zinc/30/44/07/192304407.db2.gz NCXDJALNYZQBPZ-HNNXBMFYSA-N 0 1 231.339 2.402 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@@]12CCOC2 ZINC000421028232 192308927 /nfs/dbraw/zinc/30/89/27/192308927.db2.gz WIHLEPFMRGIGKG-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN C[C@H]1CSCCN(Cc2ccncc2F)C1 ZINC000336206943 134132471 /nfs/dbraw/zinc/13/24/71/134132471.db2.gz PCPAWMOTWTZZQU-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN CCC(F)(F)CN[C@@H](C1CC1)C(C)(C)CO ZINC000639656439 356571924 /nfs/dbraw/zinc/57/19/24/356571924.db2.gz HJOXPJFXERVWJG-JTQLQIEISA-N 0 1 235.318 2.418 20 0 BEADMN CC(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000639657399 356572621 /nfs/dbraw/zinc/57/26/21/356572621.db2.gz ZCNGQZAQIHNCDM-CQSZACIVSA-N 0 1 217.312 2.455 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@H](C)C2CC2)n[nH]1 ZINC000642350714 363487372 /nfs/dbraw/zinc/48/73/72/363487372.db2.gz BPQMTVUMOGDXPW-SECBINFHSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)NCc2cnc[nH]2)C[C@@H]1C ZINC000449908395 202050725 /nfs/dbraw/zinc/05/07/25/202050725.db2.gz UKZDRIIRTDGVJX-OUAUKWLOSA-N 0 1 235.331 2.098 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC1(C)C ZINC000352291416 134139261 /nfs/dbraw/zinc/13/92/61/134139261.db2.gz XWYXNDOLMUVQEM-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CN(CC)CCN1CC(F)(F)CC ZINC000639665751 356580685 /nfs/dbraw/zinc/58/06/85/356580685.db2.gz YNXQRZLDTZXSCL-NSHDSACASA-N 0 1 234.334 2.448 20 0 BEADMN CCc1nnc(NC(=O)C(C)(C)C2CCC2)[nH]1 ZINC000450132638 202085228 /nfs/dbraw/zinc/08/52/28/202085228.db2.gz FETJZKDHLCELHZ-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)(C)C2CCC2)n1 ZINC000450132638 202085232 /nfs/dbraw/zinc/08/52/32/202085232.db2.gz FETJZKDHLCELHZ-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CC(=O)CNC1(c2ccccc2C)CC1 ZINC000639692066 356601225 /nfs/dbraw/zinc/60/12/25/356601225.db2.gz BPFFEMDFGQLTCO-UHFFFAOYSA-N 0 1 203.285 2.163 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)c[nH]1 ZINC000639694888 356604093 /nfs/dbraw/zinc/60/40/93/356604093.db2.gz OEIIZWFXUOGUSZ-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN c1nc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c[nH]1 ZINC000639694888 356604094 /nfs/dbraw/zinc/60/40/94/356604094.db2.gz OEIIZWFXUOGUSZ-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN c1nc(CN2CCC[C@H](c3cccnc3)C2)c[nH]1 ZINC000639694888 356604098 /nfs/dbraw/zinc/60/40/98/356604098.db2.gz OEIIZWFXUOGUSZ-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN CCN1[C@H](C)CN(CC(F)(F)CC)C[C@@H]1C ZINC000639741474 356633075 /nfs/dbraw/zinc/63/30/75/356633075.db2.gz ATXWGLBYQJPDLJ-PHIMTYICSA-N 0 1 234.334 2.446 20 0 BEADMN CC(C)CN(Cc1cn(CC2CC2)nn1)C1CC1 ZINC000450254821 202109908 /nfs/dbraw/zinc/10/99/08/202109908.db2.gz WNKFJMMAFITHED-UHFFFAOYSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(CC3CC3)nn2)CC1 ZINC000450302457 202124182 /nfs/dbraw/zinc/12/41/82/202124182.db2.gz XIDCVIDUVDLMDG-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN CN(CCc1cscn1)Cc1ccoc1 ZINC000450286221 202118614 /nfs/dbraw/zinc/11/86/14/202118614.db2.gz NOTLPFAAJGEDHZ-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC000130132593 325016616 /nfs/dbraw/zinc/01/66/16/325016616.db2.gz SDKLYDHGLMRPRE-NEPJUHHUSA-N 0 1 221.348 2.431 20 0 BEADMN CSCC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000167829679 134154332 /nfs/dbraw/zinc/15/43/32/134154332.db2.gz LPXOEFUKPHOGIB-UHFFFAOYSA-N 0 1 236.384 2.449 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000450374353 202146091 /nfs/dbraw/zinc/14/60/91/202146091.db2.gz DZVSESVZIIHGRF-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000040489757 356692008 /nfs/dbraw/zinc/69/20/08/356692008.db2.gz MSTBJYDWFZWOQH-UHFFFAOYSA-N 0 1 245.326 2.360 20 0 BEADMN COC(=O)C1CCC(N[C@H](C)C(C)(F)F)CC1 ZINC000389472307 356680986 /nfs/dbraw/zinc/68/09/86/356680986.db2.gz STTRULBGYKGKIB-XNWIYYODSA-N 0 1 249.301 2.352 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000036169703 356707163 /nfs/dbraw/zinc/70/71/63/356707163.db2.gz QPVGHMNLLFUVJG-JSGCOSHPSA-N 0 1 246.354 2.335 20 0 BEADMN C[C@H]1CCCCCN1Cc1cn(CC2CC2)nn1 ZINC000450413341 202158636 /nfs/dbraw/zinc/15/86/36/202158636.db2.gz UKOJNIVNGGEAQF-LBPRGKRZSA-N 0 1 248.374 2.453 20 0 BEADMN c1n[nH]cc1[C@@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000639776918 356719789 /nfs/dbraw/zinc/71/97/89/356719789.db2.gz QSEMYPRRKDCDHL-AWEZNQCLSA-N 0 1 249.358 2.363 20 0 BEADMN Cc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cn1 ZINC000639777462 356721280 /nfs/dbraw/zinc/72/12/80/356721280.db2.gz WJNYKJFPJWCDIU-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1nc(-c2cocn2)no1 ZINC000350873829 366356461 /nfs/dbraw/zinc/35/64/61/366356461.db2.gz OWHJFVOJBVXEIY-IUCAKERBSA-N 0 1 248.286 2.097 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1nc(-c2cocn2)no1 ZINC000350873828 366357171 /nfs/dbraw/zinc/35/71/71/366357171.db2.gz OWHJFVOJBVXEIY-DTORHVGOSA-N 0 1 248.286 2.097 20 0 BEADMN CC(C)CN1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000353640583 356715254 /nfs/dbraw/zinc/71/52/54/356715254.db2.gz AQVKBBVVHQBLSA-ZDUSSCGKSA-N 0 1 240.391 2.079 20 0 BEADMN Cc1cc(CN[C@H]2CCC(F)(F)C2)on1 ZINC000380360420 356746731 /nfs/dbraw/zinc/74/67/31/356746731.db2.gz YFTMWYJUJDRCRO-QMMMGPOBSA-N 0 1 216.231 2.260 20 0 BEADMN CCc1nc(CN2C[C@@H](C)CC(C)(C)C2)n[nH]1 ZINC000355067630 356749411 /nfs/dbraw/zinc/74/94/11/356749411.db2.gz WDEOPKCKJAGVCQ-JTQLQIEISA-N 0 1 236.363 2.235 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2cn(CC3CC3)nn2)C1 ZINC000450454543 202170462 /nfs/dbraw/zinc/17/04/62/202170462.db2.gz LVMGASSPPDLRAS-NEPJUHHUSA-N 0 1 248.374 2.309 20 0 BEADMN c1ccc(OCCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000054344227 363566904 /nfs/dbraw/zinc/56/69/04/363566904.db2.gz ONTDTTWWWIONAJ-GJZGRUSLSA-N 0 1 247.338 2.319 20 0 BEADMN CC(C)CCOCCN1CCO[C@H]2CCC[C@@H]21 ZINC000054342373 363567050 /nfs/dbraw/zinc/56/70/50/363567050.db2.gz PLADXJIZAAGDPV-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN CC1(C)CN(C[C@H](O)C(F)(F)F)[C@@H]1C1CC1 ZINC000357444303 356833063 /nfs/dbraw/zinc/83/30/63/356833063.db2.gz YITAVTSNZWPFRD-DTWKUNHWSA-N 0 1 237.265 2.030 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000356493023 356796701 /nfs/dbraw/zinc/79/67/01/356796701.db2.gz XEFXJVQFWYVKAJ-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000639839042 356833533 /nfs/dbraw/zinc/83/35/33/356833533.db2.gz YWOKRBWJZKEDDL-LBPRGKRZSA-N 0 1 227.348 2.117 20 0 BEADMN CO[C@H]1CN(CCC(C)(C)C2CC2)CCO1 ZINC000639839041 356833839 /nfs/dbraw/zinc/83/38/39/356833839.db2.gz YWOKRBWJZKEDDL-GFCCVEGCSA-N 0 1 227.348 2.117 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000035300998 356811086 /nfs/dbraw/zinc/81/10/86/356811086.db2.gz KTABRDGXBSMNGB-MRVPVSSYSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000035300998 356811089 /nfs/dbraw/zinc/81/10/89/356811089.db2.gz KTABRDGXBSMNGB-MRVPVSSYSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000035301002 356811301 /nfs/dbraw/zinc/81/13/01/356811301.db2.gz KTABRDGXBSMNGB-QMMMGPOBSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000035301002 356811305 /nfs/dbraw/zinc/81/13/05/356811305.db2.gz KTABRDGXBSMNGB-QMMMGPOBSA-N 0 1 245.731 2.451 20 0 BEADMN CO[C@@H]1CN(CCC2CCCCC2)CCO1 ZINC000639832954 356818308 /nfs/dbraw/zinc/81/83/08/356818308.db2.gz FLGXMRIOJAPTAU-ZDUSSCGKSA-N 0 1 227.348 2.262 20 0 BEADMN CCC(C)(C)CCN1CCO[C@H](OC)C1 ZINC000639835788 356826573 /nfs/dbraw/zinc/82/65/73/356826573.db2.gz CPKAUFFAZZUXOZ-NSHDSACASA-N 0 1 215.337 2.117 20 0 BEADMN OCCN(Cc1cccnc1)CC1=CCCCC1 ZINC000450494291 202185530 /nfs/dbraw/zinc/18/55/30/202185530.db2.gz KQSDOKNMGMGTAJ-UHFFFAOYSA-N 0 1 246.354 2.376 20 0 BEADMN Cc1noc(C)c1NC(=O)c1c[nH]nc1C1CC1 ZINC000356036174 356785291 /nfs/dbraw/zinc/78/52/91/356785291.db2.gz COWVHDWHPRDMJE-UHFFFAOYSA-N 0 1 246.270 2.144 20 0 BEADMN CO[C@@H](CN1CCC[C@H]1c1ncccn1)C1CC1 ZINC000639863817 356874173 /nfs/dbraw/zinc/87/41/73/356874173.db2.gz CBOCEQIYWGSTHP-STQMWFEESA-N 0 1 247.342 2.039 20 0 BEADMN CO[C@H](CN1CCC[C@H]1c1ncccn1)C1CC1 ZINC000639863814 356874219 /nfs/dbraw/zinc/87/42/19/356874219.db2.gz CBOCEQIYWGSTHP-QWHCGFSZSA-N 0 1 247.342 2.039 20 0 BEADMN CC1(C)CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000281821735 538710001 /nfs/dbraw/zinc/71/00/01/538710001.db2.gz LGVMHKRQFIMVIA-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN CC(C)OCCCN1CCC[C@@H]1c1ncccn1 ZINC000639843434 356839322 /nfs/dbraw/zinc/83/93/22/356839322.db2.gz QTOJQDRXZZQYFS-CYBMUJFWSA-N 0 1 249.358 2.429 20 0 BEADMN CC1(C)CN(C(=O)C2=CCCCCC2)CCN1 ZINC000360747120 356911382 /nfs/dbraw/zinc/91/13/82/356911382.db2.gz RENLTRAOZRBWHA-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CC12CCC(CC1)C2 ZINC000450563210 202199375 /nfs/dbraw/zinc/19/93/75/202199375.db2.gz WWYWNJKMRAHNAU-DCBWTQNWSA-N 0 1 239.359 2.450 20 0 BEADMN CCN(Cc1ncccc1C)[C@@H]1CCOC1 ZINC000361239446 356921490 /nfs/dbraw/zinc/92/14/90/356921490.db2.gz ZTNSTVJRCUGYFS-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Fc1ccc(F)c(CNCC2COC2)c1Cl ZINC000623760893 356932184 /nfs/dbraw/zinc/93/21/84/356932184.db2.gz QMBYWZIIHWSNQP-UHFFFAOYSA-N 0 1 247.672 2.354 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC000359660598 356892989 /nfs/dbraw/zinc/89/29/89/356892989.db2.gz WGDPSJIOSWMBOW-LBPRGKRZSA-N 0 1 228.380 2.365 20 0 BEADMN FCC(CF)N=c1[nH]c(C(F)(F)F)cs1 ZINC000450595955 202207449 /nfs/dbraw/zinc/20/74/49/202207449.db2.gz WMMLIGSTPOJVAS-UHFFFAOYSA-N 0 1 246.204 2.303 20 0 BEADMN CSc1n[nH]c(NC(=O)c2ccccc2C)n1 ZINC000017176069 356959883 /nfs/dbraw/zinc/95/98/83/356959883.db2.gz AZAUSLJPGDVATA-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN FCCCCN1CCC[C@H]1c1ncccn1 ZINC000639869921 357022007 /nfs/dbraw/zinc/02/20/07/357022007.db2.gz NRXBUYCUKNMOFU-NSHDSACASA-N 0 1 223.295 2.363 20 0 BEADMN COC(C)(C)CCN1CCC[C@H]1c1ncccn1 ZINC000639872794 357045387 /nfs/dbraw/zinc/04/53/87/357045387.db2.gz RHRDUSUFNFXABW-LBPRGKRZSA-N 0 1 249.358 2.429 20 0 BEADMN CC[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)C ZINC000054460336 363571905 /nfs/dbraw/zinc/57/19/05/363571905.db2.gz MYLBGNNBOWGHRI-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN COCc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000350598748 357059663 /nfs/dbraw/zinc/05/96/63/357059663.db2.gz PPSZFDVEONBZBH-AEJSXWLSSA-N 0 1 239.319 2.150 20 0 BEADMN COCc1noc([C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000350598748 357059667 /nfs/dbraw/zinc/05/96/67/357059667.db2.gz PPSZFDVEONBZBH-AEJSXWLSSA-N 0 1 239.319 2.150 20 0 BEADMN CCn1cc([C@@H](C)NCC(C)(C)F)cn1 ZINC000631657959 357067367 /nfs/dbraw/zinc/06/73/67/357067367.db2.gz HTZQZJOLMWJHBX-SECBINFHSA-N 0 1 213.300 2.302 20 0 BEADMN CC(=O)CN1CC2CC1(c1ccccc1)C2 ZINC000639875451 357067436 /nfs/dbraw/zinc/06/74/36/357067436.db2.gz PHTVSDHNJYLDBQ-UHFFFAOYSA-N 0 1 215.296 2.197 20 0 BEADMN CCn1cc([C@H](C)NCC(C)(C)F)cn1 ZINC000631657960 357067499 /nfs/dbraw/zinc/06/74/99/357067499.db2.gz HTZQZJOLMWJHBX-VIFPVBQESA-N 0 1 213.300 2.302 20 0 BEADMN FC(F)O[C@H]1CCN(CCOCC2CCC2)C1 ZINC000582350534 357091160 /nfs/dbraw/zinc/09/11/60/357091160.db2.gz MJYPAGPJDTYCEQ-NSHDSACASA-N 0 1 249.301 2.117 20 0 BEADMN CC(C)C(CN[C@@H](C)c1ncn(C)n1)C(C)C ZINC000391934001 357136615 /nfs/dbraw/zinc/13/66/15/357136615.db2.gz JAUSZNBHKUUCMK-NSHDSACASA-N 0 1 238.379 2.394 20 0 BEADMN CC(C)CC[C@H](O)CN1CCOC2(CCC2)C1 ZINC000373590479 357137912 /nfs/dbraw/zinc/13/79/12/357137912.db2.gz BEASKDBNOYMUES-ZDUSSCGKSA-N 0 1 241.375 2.038 20 0 BEADMN CCCCN(C)Cc1nc(-c2cccnc2)no1 ZINC000054582689 363574987 /nfs/dbraw/zinc/57/49/87/363574987.db2.gz SYCISOYGIIRJPX-UHFFFAOYSA-N 0 1 246.314 2.364 20 0 BEADMN CC[C@@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000374531924 357161927 /nfs/dbraw/zinc/16/19/27/357161927.db2.gz TYIQSJDGSFEIRW-KGLIPLIRSA-N 0 1 237.318 2.328 20 0 BEADMN CC[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000304421051 357166445 /nfs/dbraw/zinc/16/64/45/357166445.db2.gz JSEWSYJFMFXPMQ-KXNHARMFSA-N 0 1 227.348 2.352 20 0 BEADMN Cc1nnc(CN[C@@H]2CC3CCC2CC3)o1 ZINC000390766723 357115911 /nfs/dbraw/zinc/11/59/11/357115911.db2.gz RJTZMLSDXKTXFL-VQXHTEKXSA-N 0 1 221.304 2.046 20 0 BEADMN Cc1nnc(CN[C@H]2CC3CCC2CC3)o1 ZINC000390766722 357116118 /nfs/dbraw/zinc/11/61/18/357116118.db2.gz RJTZMLSDXKTXFL-ILDUYXDCSA-N 0 1 221.304 2.046 20 0 BEADMN c1nc(CN[C@@H](C2CCC2)[C@H]2CCCO2)co1 ZINC000631256130 357124419 /nfs/dbraw/zinc/12/44/19/357124419.db2.gz SRCRRAROWMDTER-OLZOCXBDSA-N 0 1 236.315 2.112 20 0 BEADMN c1nc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)co1 ZINC000631256138 357124608 /nfs/dbraw/zinc/12/46/08/357124608.db2.gz SRCRRAROWMDTER-STQMWFEESA-N 0 1 236.315 2.112 20 0 BEADMN COc1cc([C@H](C)NCC(C)(C)F)ccn1 ZINC000631660122 357193566 /nfs/dbraw/zinc/19/35/66/357193566.db2.gz DQJVYNZXYWHRBH-VIFPVBQESA-N 0 1 226.295 2.489 20 0 BEADMN CCc1nc(NC(=O)c2cc(F)ccc2C)n[nH]1 ZINC000123024997 357203930 /nfs/dbraw/zinc/20/39/30/357203930.db2.gz MTYPHUIJGULQIL-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(F)ccc2C)n1 ZINC000123024997 357203933 /nfs/dbraw/zinc/20/39/33/357203933.db2.gz MTYPHUIJGULQIL-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CC(C)(C)n1cc(CN2C[C@@H]3C[C@@H]3C2)cn1 ZINC000628409775 357207640 /nfs/dbraw/zinc/20/76/40/357207640.db2.gz ZHTJBQZEYIZDRH-TXEJJXNPSA-N 0 1 219.332 2.090 20 0 BEADMN CCc1nnc(NC(=O)CC2CCCCC2)[nH]1 ZINC000123173109 357212866 /nfs/dbraw/zinc/21/28/66/357212866.db2.gz KAFMLRMXCFSAEF-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)CC2CCCCC2)n1 ZINC000123173109 357212871 /nfs/dbraw/zinc/21/28/71/357212871.db2.gz KAFMLRMXCFSAEF-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000356769260 538815446 /nfs/dbraw/zinc/81/54/46/538815446.db2.gz HSFCPOAVYALNEO-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN COc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000628412021 357223541 /nfs/dbraw/zinc/22/35/41/357223541.db2.gz SKDJNVZUROHLKW-PHIMTYICSA-N 0 1 221.275 2.286 20 0 BEADMN CC1(C)OC[C@@H]2C[C@@]21NCc1cnc(C2CC2)o1 ZINC000628421795 357242413 /nfs/dbraw/zinc/24/24/13/357242413.db2.gz XTTOEDUHUSNTJU-IINYFYTJSA-N 0 1 248.326 2.209 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H]2c2ccccc2)n[nH]1 ZINC000054778771 363578894 /nfs/dbraw/zinc/57/88/94/363578894.db2.gz VIJRGBNEENWNCO-ZDUSSCGKSA-N 0 1 241.294 2.305 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cccnc1C ZINC000237509666 357185130 /nfs/dbraw/zinc/18/51/30/357185130.db2.gz LUEKDFSQSOPREJ-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccncc1F ZINC000393906439 357306293 /nfs/dbraw/zinc/30/62/93/357306293.db2.gz NFCLYCNOWQDGGT-KPXOXKRLSA-N 0 1 224.279 2.049 20 0 BEADMN COCC1(N[C@@H](C)c2ccncc2F)CC1 ZINC000393143619 357277537 /nfs/dbraw/zinc/27/75/37/357277537.db2.gz FSLFPBKVFODFGR-VIFPVBQESA-N 0 1 224.279 2.050 20 0 BEADMN Cn1cc(Cl)c(CNC(C2CC2)C2CC2)n1 ZINC000393273275 357280556 /nfs/dbraw/zinc/28/05/56/357280556.db2.gz AZCIBHIQGJKTLQ-UHFFFAOYSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1cc(CNC[C@H](O)C2CCCCC2)on1 ZINC000582481868 357316723 /nfs/dbraw/zinc/31/67/23/357316723.db2.gz KEPINCHYOHDKOJ-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN CSCCC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000582612965 357352635 /nfs/dbraw/zinc/35/26/35/357352635.db2.gz ZYCRSXRMFJTGII-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CCOCCN1CCC=C(c2ccccn2)C1 ZINC000582763550 357382960 /nfs/dbraw/zinc/38/29/60/357382960.db2.gz FUBIAZHRVLUJGB-UHFFFAOYSA-N 0 1 232.327 2.207 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cncnc2C)s1 ZINC000582857241 357421788 /nfs/dbraw/zinc/42/17/88/357421788.db2.gz XZFPRTZIHKMGFM-QMMMGPOBSA-N 0 1 248.355 2.401 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCCCF ZINC000397086996 357498402 /nfs/dbraw/zinc/49/84/02/357498402.db2.gz JFEWQGLDXDCYOG-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1scnc1C ZINC000216640672 357447269 /nfs/dbraw/zinc/44/72/69/357447269.db2.gz ORUMWWFGTSICQS-SECBINFHSA-N 0 1 242.344 2.137 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000582970106 357448040 /nfs/dbraw/zinc/44/80/40/357448040.db2.gz LRZNTVRBIIRMGO-OUAUKWLOSA-N 0 1 245.388 2.312 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639909282 357448201 /nfs/dbraw/zinc/44/82/01/357448201.db2.gz DZVZKRZDVQOIKF-LURJTMIESA-N 0 1 231.246 2.218 20 0 BEADMN Cc1n[nH]cc1CNCc1scnc1C1CC1 ZINC000358611202 538845643 /nfs/dbraw/zinc/84/56/43/538845643.db2.gz NTKKQCYTKFVKCK-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccccc1 ZINC000397009651 357488837 /nfs/dbraw/zinc/48/88/37/357488837.db2.gz IRKFHENANQELDH-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1ccncc1C ZINC000583142384 357493141 /nfs/dbraw/zinc/49/31/41/357493141.db2.gz SDDVYTQXIRASCE-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN CCOC(=O)CN(CCC(C)(C)OC)C(C)C ZINC000230414302 357522783 /nfs/dbraw/zinc/52/27/83/357522783.db2.gz JBNQVJNYIZSYFV-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@](C)(O)CC2)n1 ZINC000230377536 357530565 /nfs/dbraw/zinc/53/05/65/357530565.db2.gz QHCHYVJMQJADNQ-CQSZACIVSA-N 0 1 234.343 2.127 20 0 BEADMN C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)CCN1 ZINC000189019532 357601156 /nfs/dbraw/zinc/60/11/56/357601156.db2.gz HAHMVQMTXXKZLF-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1noc(CN2CCC[C@@H](C)CC2)n1 ZINC000063302774 357620985 /nfs/dbraw/zinc/62/09/85/357620985.db2.gz PSPGPVODANDGKV-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NCc2ncn(C)n2)C1 ZINC000232716038 357679827 /nfs/dbraw/zinc/67/98/27/357679827.db2.gz MFYVUYCTOKTTAS-VXGBXAGGSA-N 0 1 236.363 2.120 20 0 BEADMN CCCN1CCCN([C@@H]2C=CCCC2)CC1=O ZINC000189367509 357635135 /nfs/dbraw/zinc/63/51/35/357635135.db2.gz BVXGEQUNCFSVPH-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CCN(CC)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000063758708 357717453 /nfs/dbraw/zinc/71/74/53/357717453.db2.gz KMVGPTWATKTTDT-LBPRGKRZSA-N 0 1 246.354 2.479 20 0 BEADMN Cc1ccncc1CNCc1cnn(C(C)C)c1 ZINC000232782928 357684134 /nfs/dbraw/zinc/68/41/34/357684134.db2.gz OEIFTKQDTADLDK-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN O=C1OCC[C@]12CCC[N@H+]2C[C@H]1CC=CCC1 ZINC000190040100 357687813 /nfs/dbraw/zinc/68/78/13/357687813.db2.gz OZUQEKZXXOEARF-GXTWGEPZSA-N 0 1 235.327 2.124 20 0 BEADMN CCN1CCCN(Cc2ccccc2C)CC1=O ZINC000190171282 357690580 /nfs/dbraw/zinc/69/05/80/357690580.db2.gz YXTXOZDZLRTRLF-UHFFFAOYSA-N 0 1 246.354 2.049 20 0 BEADMN CCOC[C@H](NCc1nccn1CC)C(C)C ZINC000233780661 357748730 /nfs/dbraw/zinc/74/87/30/357748730.db2.gz MBTBUSNHGAUODS-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN C[C@@H](NCc1cocn1)[C@@H]1COc2ccccc21 ZINC000191110597 357750426 /nfs/dbraw/zinc/75/04/26/357750426.db2.gz WLPCPAPAVSEMEH-MFKMUULPSA-N 0 1 244.294 2.329 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@H]2COC)c1 ZINC000293660083 491114355 /nfs/dbraw/zinc/11/43/55/491114355.db2.gz TYOXZKXFNUOBKU-AWEZNQCLSA-N 0 1 219.328 2.470 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccco1 ZINC000583268239 357763274 /nfs/dbraw/zinc/76/32/74/357763274.db2.gz MLIOJUOEWYBEEU-VHSXEESVSA-N 0 1 223.272 2.280 20 0 BEADMN CCN(Cc1ncccn1)[C@@H](C)C(C)C ZINC000191967265 357807239 /nfs/dbraw/zinc/80/72/39/357807239.db2.gz SQELOGWTAZYYBE-NSHDSACASA-N 0 1 207.321 2.343 20 0 BEADMN CCn1ccnc1NCc1c(C)noc1C ZINC000086113245 357853517 /nfs/dbraw/zinc/85/35/17/357853517.db2.gz ZEKZRTYIUFSMNO-UHFFFAOYSA-N 0 1 220.276 2.120 20 0 BEADMN C/C=C(/C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC001641133906 1172227168 /nfs/dbraw/zinc/22/71/68/1172227168.db2.gz NLSGEYXULFSWIN-OQFOIZHKSA-N 0 1 229.283 2.145 20 0 BEADMN CCn1ncnc1CN(CC(C)C)CC(C)C ZINC000193305355 357873493 /nfs/dbraw/zinc/87/34/93/357873493.db2.gz XSIDBOLPJDRXJH-UHFFFAOYSA-N 0 1 238.379 2.412 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]1C1CCC1 ZINC000193332609 357878019 /nfs/dbraw/zinc/87/80/19/357878019.db2.gz HTJATTUCAYWOHO-GFCCVEGCSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@@H]1C(=O)[O-] ZINC000235670643 357927118 /nfs/dbraw/zinc/92/71/18/357927118.db2.gz COXIIEYQADXTMC-GWCFXTLKSA-N 0 1 249.310 2.077 20 0 BEADMN Cc1occc1CNCc1ccccc1CO ZINC000584397897 357909993 /nfs/dbraw/zinc/90/99/93/357909993.db2.gz YQSLVVPUPQHPLP-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930659 357910496 /nfs/dbraw/zinc/91/04/96/357910496.db2.gz YZWAAGCQFWFACB-GXSJLCMTSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@H](O)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639930659 357910500 /nfs/dbraw/zinc/91/05/00/357910500.db2.gz YZWAAGCQFWFACB-GXSJLCMTSA-N 0 1 209.289 2.043 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000584451715 357971289 /nfs/dbraw/zinc/97/12/89/357971289.db2.gz GGDGGIWJCCFXHC-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000219116342 357979161 /nfs/dbraw/zinc/97/91/61/357979161.db2.gz HQELDWPCMQDQPG-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCC[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000035415397 357980031 /nfs/dbraw/zinc/98/00/31/357980031.db2.gz LYXBRQNNUAZTKQ-UHFFFAOYSA-N 0 1 207.273 2.227 20 0 BEADMN CC[N@@H+](Cc1ccccc1C(=O)[O-])C1CC1 ZINC000035415390 357980243 /nfs/dbraw/zinc/98/02/43/357980243.db2.gz AQOFEBPSIVRPAV-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN C[N@H+](Cc1ccco1)Cc1occc1C(=O)[O-] ZINC000035716203 357998694 /nfs/dbraw/zinc/99/86/94/357998694.db2.gz USYNFMULWQHPEG-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@@H+](Cc1ccco1)Cc1occc1C(=O)[O-] ZINC000035716203 357998698 /nfs/dbraw/zinc/99/86/98/357998698.db2.gz USYNFMULWQHPEG-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN CCOC(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000055505465 363593492 /nfs/dbraw/zinc/59/34/92/363593492.db2.gz MEUUJTSKFWYBBA-AWEZNQCLSA-N 0 1 247.338 2.257 20 0 BEADMN C[C@H](C[N@@H+](C)CCCCOC(C)(C)C)C(=O)[O-] ZINC000584475174 357991343 /nfs/dbraw/zinc/99/13/43/357991343.db2.gz WSPZQXHLIPZTBZ-LLVKDONJSA-N 0 1 245.363 2.234 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035433041 357991803 /nfs/dbraw/zinc/99/18/03/357991803.db2.gz AGOAZWIBAGHWNN-QMMMGPOBSA-N 0 1 211.261 2.208 20 0 BEADMN Cc1oc(C[N@H+](C)C(C)C)cc1C(=O)[O-] ZINC000035432171 357991936 /nfs/dbraw/zinc/99/19/36/357991936.db2.gz NYWHHPRXLVJVMG-UHFFFAOYSA-N 0 1 211.261 2.126 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035433040 357992162 /nfs/dbraw/zinc/99/21/62/357992162.db2.gz AGOAZWIBAGHWNN-MRVPVSSYSA-N 0 1 211.261 2.208 20 0 BEADMN Cc1cn[nH]c1CSc1cccc(C(N)=O)c1 ZINC001641170663 1172229984 /nfs/dbraw/zinc/22/99/84/1172229984.db2.gz WQIIFSFXGASGAW-UHFFFAOYSA-N 0 1 247.323 2.109 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000584525726 358034449 /nfs/dbraw/zinc/03/44/49/358034449.db2.gz BEFIMQXWOVHJFT-OIBJUYFYSA-N 0 1 247.273 2.230 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccc(F)c(F)c1 ZINC000546812173 325313509 /nfs/dbraw/zinc/31/35/09/325313509.db2.gz ZCGVVOWHIKWABL-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000037173668 358059981 /nfs/dbraw/zinc/05/99/81/358059981.db2.gz VVBBDWVWKHSLKJ-SECBINFHSA-N 0 1 225.288 2.456 20 0 BEADMN C[C@H](NCc1cccn1C)c1ccoc1 ZINC000133965179 325334185 /nfs/dbraw/zinc/33/41/85/325334185.db2.gz WZJVIIYHGRHGQV-JTQLQIEISA-N 0 1 204.273 2.469 20 0 BEADMN Cc1cc(C[N@@H+](C)CC2CC2)oc1C(=O)[O-] ZINC000037925820 358098285 /nfs/dbraw/zinc/09/82/85/358098285.db2.gz NGDBPYLZXVSXEX-UHFFFAOYSA-N 0 1 223.272 2.128 20 0 BEADMN COC[C@H](C)CN1Cc2cccc(OC)c2C1 ZINC000628462840 358118098 /nfs/dbraw/zinc/11/80/98/358118098.db2.gz JUZIGRMDCRHKKL-LLVKDONJSA-N 0 1 235.327 2.293 20 0 BEADMN C=CC=CCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001641250341 1172237342 /nfs/dbraw/zinc/23/73/42/1172237342.db2.gz HKKHAVQFTQSELQ-ARJAWSKDSA-N 0 1 243.266 2.339 20 0 BEADMN CC1(F)CCN(CCOCC(F)(F)F)CC1 ZINC000640071002 358154632 /nfs/dbraw/zinc/15/46/32/358154632.db2.gz SYSDXYVFBQPDOC-UHFFFAOYSA-N 0 1 243.244 2.389 20 0 BEADMN CCCCCNC(=O)CN1CCC(C)(F)CC1 ZINC000640069999 358155784 /nfs/dbraw/zinc/15/57/84/358155784.db2.gz RBXBLSBUNIJQJL-UHFFFAOYSA-N 0 1 244.354 2.117 20 0 BEADMN C[C@H](N[C@@H](C)c1cn[nH]c1)c1ccoc1 ZINC000222491276 358174232 /nfs/dbraw/zinc/17/42/32/358174232.db2.gz TYZLKXDDXGNIEZ-IUCAKERBSA-N 0 1 205.261 2.415 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450647958 202224628 /nfs/dbraw/zinc/22/46/28/202224628.db2.gz UOOJNMNOUHRZMO-BXUZGUMPSA-N 0 1 248.374 2.451 20 0 BEADMN CC(C)(C)c1nc(CN2CCCCCO2)n[nH]1 ZINC000640124113 358203632 /nfs/dbraw/zinc/20/36/32/358203632.db2.gz MSJSSSQBHLAWHC-UHFFFAOYSA-N 0 1 238.335 2.020 20 0 BEADMN C[C@@H](O)CCSc1nc(-c2ccccc2)n[nH]1 ZINC000450678896 202232124 /nfs/dbraw/zinc/23/21/24/202232124.db2.gz JACXLFZSLQMDCI-SECBINFHSA-N 0 1 249.339 2.335 20 0 BEADMN Cc1noc(-c2cc(Cl)ccc2O)n1 ZINC000082644382 491126296 /nfs/dbraw/zinc/12/62/96/491126296.db2.gz GYOANZAOUANFHU-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN COC[C@H](NCCC[C@@H](C)O)c1ccc(C)o1 ZINC000450725889 202247092 /nfs/dbraw/zinc/24/70/92/202247092.db2.gz JKSQWGFWKXLKEE-PWSUYJOCSA-N 0 1 241.331 2.026 20 0 BEADMN C[C@H](O)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000450746425 202252517 /nfs/dbraw/zinc/25/25/17/202252517.db2.gz RJXAELAPRADNET-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H]1CCCC[C@H]1NCc1nnc(C)o1 ZINC000163196807 202252981 /nfs/dbraw/zinc/25/29/81/202252981.db2.gz LZHJANPMPBOHLQ-WDEREUQCSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nn(C)cc1CSc1nc(C2CC2)n[nH]1 ZINC000450751689 202255994 /nfs/dbraw/zinc/25/59/94/202255994.db2.gz BQDDFUDPXWMBLD-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN Cc1nn(C)cc1CSc1n[nH]c(C2CC2)n1 ZINC000450751689 202255998 /nfs/dbraw/zinc/25/59/98/202255998.db2.gz BQDDFUDPXWMBLD-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN C[C@@H]1C(=O)N(C)CCN1CCC1=CCCCC1 ZINC000450775015 202262279 /nfs/dbraw/zinc/26/22/79/202262279.db2.gz APSNXHFUUWEUEY-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCO[C@@H]1C[C@@H](N[C@H](C)c2ncc[nH]2)C12CCC2 ZINC000252978103 535417526 /nfs/dbraw/zinc/41/75/26/535417526.db2.gz AIMUMLSQDLLNAU-IJLUTSLNSA-N 0 1 249.358 2.408 20 0 BEADMN CC[C@H]1CCC[C@H](CN2CCn3nncc3C2)C1 ZINC000578206319 366391492 /nfs/dbraw/zinc/39/14/92/366391492.db2.gz OXZOKONHSFWNPV-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226397152 358338455 /nfs/dbraw/zinc/33/84/55/358338455.db2.gz LAEPVNSGTJAOEF-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000226496043 358340088 /nfs/dbraw/zinc/34/00/88/358340088.db2.gz RDPKTLDMVQBWEZ-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](CO)NCc1ncc(C(C)C)s1 ZINC000134840023 325378670 /nfs/dbraw/zinc/37/86/70/325378670.db2.gz FLYMNGMTXJIPMR-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN C[N@@H+](CC1CCCCC1)C(C)(C)C(=O)[O-] ZINC000042491596 358350784 /nfs/dbraw/zinc/35/07/84/358350784.db2.gz ADSCTVSHFBSUFF-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCN(CCO)Cc1ccc(OC)cc1F ZINC000228634088 358382629 /nfs/dbraw/zinc/38/26/29/358382629.db2.gz KHBOZMZQGQDSDA-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831771 358364450 /nfs/dbraw/zinc/36/44/50/358364450.db2.gz NWRGQCGYYDVVLO-FZMZJTMJSA-N 0 1 248.326 2.329 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229213535 358366683 /nfs/dbraw/zinc/36/66/83/358366683.db2.gz HQJUHXMQIXKWGY-FIQHERPVSA-N 0 1 225.332 2.218 20 0 BEADMN CCCCN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000044426643 358408670 /nfs/dbraw/zinc/40/86/70/358408670.db2.gz FHRNIRXHXYJQBC-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000044426789 358408828 /nfs/dbraw/zinc/40/88/28/358408828.db2.gz WRTVJRGJLCENLX-CQSZACIVSA-N 0 1 246.354 2.178 20 0 BEADMN CC(C)C[C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000173905030 134278613 /nfs/dbraw/zinc/27/86/13/134278613.db2.gz MTITYAAJVPGFQX-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN COc1ccc(CN(CCO)C(C)C)c(F)c1 ZINC000228633906 358382773 /nfs/dbraw/zinc/38/27/73/358382773.db2.gz FCTXRIHBRATEKB-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](O)C(F)F)c(C)o1 ZINC000219281544 134277141 /nfs/dbraw/zinc/27/71/41/134277141.db2.gz WFUZJSUHCIEXRM-XVKPBYJWSA-N 0 1 233.258 2.173 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H]2CC=CCC2)cc1 ZINC000230801212 358412045 /nfs/dbraw/zinc/41/20/45/358412045.db2.gz CTWSYKGTWUCHNN-KBPBESRZSA-N 0 1 244.338 2.220 20 0 BEADMN Cc1cccc(NCCCCn2ccnc2)n1 ZINC000045108221 358401634 /nfs/dbraw/zinc/40/16/34/358401634.db2.gz KSUBOFRAKNGWQC-UHFFFAOYSA-N 0 1 230.315 2.479 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC2(CCCC2)C1 ZINC000174268350 134279900 /nfs/dbraw/zinc/27/99/00/134279900.db2.gz CFMPEPCKBUAGKF-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCCCC1 ZINC000042008943 358516613 /nfs/dbraw/zinc/51/66/13/358516613.db2.gz JEZHUHOUKMJAPE-UHFFFAOYSA-N 0 1 229.283 2.189 20 0 BEADMN COCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640153550 358433732 /nfs/dbraw/zinc/43/37/32/358433732.db2.gz QOHDFCUKPFVOCC-GFCCVEGCSA-N 0 1 229.270 2.462 20 0 BEADMN OCCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640154323 358438313 /nfs/dbraw/zinc/43/83/13/358438313.db2.gz YUZNCJHQTLLVGQ-LBPRGKRZSA-N 0 1 229.270 2.198 20 0 BEADMN C[C@@H](O)CCN[C@H](CF)c1ccc(F)cc1 ZINC000640155350 358438824 /nfs/dbraw/zinc/43/88/24/358438824.db2.gz UONFTJFYRMNUKJ-BXKDBHETSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000086257431 358549776 /nfs/dbraw/zinc/54/97/76/358549776.db2.gz FRQQRKVTAFGXTG-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccoc1)C(=O)NC(C)(C)C ZINC000135093226 325392825 /nfs/dbraw/zinc/39/28/25/325392825.db2.gz JQCRZGDAVJJHJT-VHSXEESVSA-N 0 1 238.331 2.233 20 0 BEADMN C[C@@H](C(=O)N1CCC(C)CC1)N1[C@H](C)C[C@H]1C ZINC000547768530 325394545 /nfs/dbraw/zinc/39/45/45/325394545.db2.gz VUVGPEZTFVDGQQ-UPJWGTAASA-N 0 1 238.375 2.116 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2CC(C)C)n1C ZINC000130212016 358614196 /nfs/dbraw/zinc/61/41/96/358614196.db2.gz JXBURPPUFKQLAT-LBPRGKRZSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@H](c1ccccc1F)N(C)C(=O)c1ccn[nH]1 ZINC000049653543 358696993 /nfs/dbraw/zinc/69/69/93/358696993.db2.gz IXYACBMQCDXMLP-SECBINFHSA-N 0 1 247.273 2.382 20 0 BEADMN CC[C@H](NCCC(F)(F)F)c1nccn1C ZINC000132237477 358713519 /nfs/dbraw/zinc/71/35/19/358713519.db2.gz DZOFXJYDKBPFMA-QMMMGPOBSA-N 0 1 235.253 2.413 20 0 BEADMN COc1cccc(Cl)c1CN[C@H]1CCOC1 ZINC000133905180 358772099 /nfs/dbraw/zinc/77/20/99/358772099.db2.gz VCHNLWUBNIXJJC-VIFPVBQESA-N 0 1 241.718 2.227 20 0 BEADMN CC(C)CSCCN[C@@H](C)c1nccn1C ZINC000132342561 358719346 /nfs/dbraw/zinc/71/93/46/358719346.db2.gz SNRQEYGSNCUDDV-NSHDSACASA-N 0 1 241.404 2.460 20 0 BEADMN Cc1cc(CNCCc2scnc2C)no1 ZINC000050285084 358722531 /nfs/dbraw/zinc/72/25/31/358722531.db2.gz WWPCEPDHEJFDPL-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN COc1cccc(Cl)c1CNCC[C@H](C)O ZINC000132928178 358739307 /nfs/dbraw/zinc/73/93/07/358739307.db2.gz HIJVYVGXYHNUFT-VIFPVBQESA-N 0 1 243.734 2.209 20 0 BEADMN Cc1nnc([C@H](C)NC2CCCC2)s1 ZINC000135004750 358815681 /nfs/dbraw/zinc/81/56/81/358815681.db2.gz COBOYDWTWAQLPS-ZETCQYMHSA-N 0 1 211.334 2.440 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000135145975 358821900 /nfs/dbraw/zinc/82/19/00/358821900.db2.gz XDOXSQASDCYIQX-LLVKDONJSA-N 0 1 234.347 2.071 20 0 BEADMN CCC[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000135145975 358821903 /nfs/dbraw/zinc/82/19/03/358821903.db2.gz XDOXSQASDCYIQX-LLVKDONJSA-N 0 1 234.347 2.071 20 0 BEADMN c1csc(CN2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000135165607 358823272 /nfs/dbraw/zinc/82/32/72/358823272.db2.gz WPYHSIWLJKVIEE-MNOVXSKESA-N 0 1 238.356 2.144 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000134345232 358787309 /nfs/dbraw/zinc/78/73/09/358787309.db2.gz VEYLZRGTOPZRIA-GXSJLCMTSA-N 0 1 247.342 2.134 20 0 BEADMN CCN(C(=O)CN1CCCC1)C1CCCCC1 ZINC000052858131 358797450 /nfs/dbraw/zinc/79/74/50/358797450.db2.gz JEAMOXLYJJKGNL-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1nc2c(s1)CCC2 ZINC000134649503 358800423 /nfs/dbraw/zinc/80/04/23/358800423.db2.gz YPRKXJWEZLJXLE-RKDXNWHRSA-N 0 1 238.356 2.071 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1csc(C)n1 ZINC000564088833 358858455 /nfs/dbraw/zinc/85/84/55/358858455.db2.gz CXSZUEYCGYOBNC-CABZTGNLSA-N 0 1 242.388 2.338 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(CN)o1 ZINC000136143862 358865056 /nfs/dbraw/zinc/86/50/56/358865056.db2.gz KRPRJZVRBAVZKA-ZJUUUORDSA-N 0 1 236.315 2.141 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1Cc1ncnn1C ZINC000135340181 358832479 /nfs/dbraw/zinc/83/24/79/358832479.db2.gz CJIZMAPLEPIXJK-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN CCc1noc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000578300344 366476213 /nfs/dbraw/zinc/47/62/13/366476213.db2.gz QODVEFBUOPHRSP-VLEAKVRGSA-N 0 1 235.331 2.471 20 0 BEADMN CC(C)CCOCCN1CCOCC12CCC2 ZINC000135538001 358843443 /nfs/dbraw/zinc/84/34/43/358843443.db2.gz WPDCSZZGSLATSD-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN COC(=O)[C@@H](N[C@@H](C)C1CCCC1)C(C)C ZINC000054078171 358851314 /nfs/dbraw/zinc/85/13/14/358851314.db2.gz RTPNHRZNXABXIK-JQWIXIFHSA-N 0 1 227.348 2.352 20 0 BEADMN C[C@H](CF)NCc1scnc1C1CC1 ZINC000308679748 491137743 /nfs/dbraw/zinc/13/77/43/491137743.db2.gz XITYCVLGZREDDX-SSDOTTSWSA-N 0 1 214.309 2.468 20 0 BEADMN CCC[C@@H]1C[N@@H+](CCCF)CCN1CCCF ZINC000138105215 358902806 /nfs/dbraw/zinc/90/28/06/358902806.db2.gz VKUQQIDGSIVFND-CYBMUJFWSA-N 0 1 248.361 2.492 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000069537260 359029800 /nfs/dbraw/zinc/02/98/00/359029800.db2.gz IKQKLZGAQXGRMF-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCC2)C[C@H](C)N1C ZINC000074556654 359121998 /nfs/dbraw/zinc/12/19/98/359121998.db2.gz UGWGMLBXPIUJEE-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)=CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000074143320 359112087 /nfs/dbraw/zinc/11/20/87/359112087.db2.gz MQZPJAXRAKKPDP-UHFFFAOYSA-N 0 1 242.282 2.376 20 0 BEADMN C[C@H](N[C@H]1CCN(C2CC2)C1)c1nccs1 ZINC000070732165 359063353 /nfs/dbraw/zinc/06/33/53/359063353.db2.gz QYHUWJZMUYBQAU-UWVGGRQHSA-N 0 1 237.372 2.030 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)n1 ZINC000246554878 359146173 /nfs/dbraw/zinc/14/61/73/359146173.db2.gz KJGXGCKBCDDXTL-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)CC[C@H]2C)n1 ZINC000246554878 359146180 /nfs/dbraw/zinc/14/61/80/359146180.db2.gz KJGXGCKBCDDXTL-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000246554878 359146185 /nfs/dbraw/zinc/14/61/85/359146185.db2.gz KJGXGCKBCDDXTL-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@H]2C)o1 ZINC000246549567 359146385 /nfs/dbraw/zinc/14/63/85/359146385.db2.gz CYDZJRHZARHUFY-NXEZZACHSA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000247642032 359238048 /nfs/dbraw/zinc/23/80/48/359238048.db2.gz TVIVOPPWNYTMBF-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C2CCOCC2)n1 ZINC000075951723 359248074 /nfs/dbraw/zinc/24/80/74/359248074.db2.gz CVLSMFDKPQBYMB-SNVBAGLBSA-N 0 1 239.319 2.010 20 0 BEADMN COC[C@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000248149479 359256529 /nfs/dbraw/zinc/25/65/29/359256529.db2.gz QOYMCOOPEZJJLA-ZIAGYGMSSA-N 0 1 249.354 2.403 20 0 BEADMN CC[C@@H](O)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247201652 359200014 /nfs/dbraw/zinc/20/00/14/359200014.db2.gz CBQZVMLVHPSURX-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN COC[C@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)CCO1 ZINC000247217199 359202050 /nfs/dbraw/zinc/20/20/50/359202050.db2.gz CPJLUKPKOHMTTE-DZGCQCFKSA-N 0 1 249.354 2.403 20 0 BEADMN COC[C@H]1CN([C@@H](C)c2cccc(C)c2)CCO1 ZINC000247217199 359202054 /nfs/dbraw/zinc/20/20/54/359202054.db2.gz CPJLUKPKOHMTTE-DZGCQCFKSA-N 0 1 249.354 2.403 20 0 BEADMN CCOC(=O)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000247247305 359205141 /nfs/dbraw/zinc/20/51/41/359205141.db2.gz PFKJGCMMCQRCIH-TZMCWYRMSA-N 0 1 247.338 2.428 20 0 BEADMN COC(=O)CC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000247351074 359215868 /nfs/dbraw/zinc/21/58/68/359215868.db2.gz PDBIWPGPTFFELF-SMDDNHRTSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480237 359317669 /nfs/dbraw/zinc/31/76/69/359317669.db2.gz GZNWUHRXERHHJH-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@H]2C)o1 ZINC000248337427 359265699 /nfs/dbraw/zinc/26/56/99/359265699.db2.gz HLGXBAYWQSUWMK-HLTSFMKQSA-N 0 1 209.293 2.169 20 0 BEADMN CCCc1noc(CN2CC[C@@H](C)[C@H]2C)n1 ZINC000248357734 359269812 /nfs/dbraw/zinc/26/98/12/359269812.db2.gz PVGAOPROLZHQBZ-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@@H]2C)n1 ZINC000248368272 359271514 /nfs/dbraw/zinc/27/15/14/359271514.db2.gz UZZPPNMYAMLCGR-QWRGUYRKSA-N 0 1 237.347 2.498 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000286574439 359363977 /nfs/dbraw/zinc/36/39/77/359363977.db2.gz CABKIUOMQDCCIG-LLVKDONJSA-N 0 1 243.310 2.481 20 0 BEADMN CCC(CC)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000611844650 359465441 /nfs/dbraw/zinc/46/54/41/359465441.db2.gz HXACXUOIMZLJMQ-UHFFFAOYSA-N 0 1 221.304 2.203 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1=CCCCC1 ZINC000580456648 359564534 /nfs/dbraw/zinc/56/45/34/359564534.db2.gz LOFVONBURCVKPP-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN c1c(CN2CC[C@@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450778751 202264684 /nfs/dbraw/zinc/26/46/84/202264684.db2.gz MHCJHOAFDADUKO-GXTWGEPZSA-N 0 1 246.358 2.063 20 0 BEADMN C[C@H](N[C@H]1CC12CCCC2)c1ncc[nH]1 ZINC000308975214 491141682 /nfs/dbraw/zinc/14/16/82/491141682.db2.gz GKZHILARTJSJLN-UWVGGRQHSA-N 0 1 205.305 2.393 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C(=O)[O-])C1CC1)C(C)(C)C ZINC000399545109 359648939 /nfs/dbraw/zinc/64/89/39/359648939.db2.gz BJMICHZRYYODBF-GXSJLCMTSA-N 0 1 227.348 2.464 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000450831287 202281293 /nfs/dbraw/zinc/28/12/93/202281293.db2.gz SSOHDXNFPKUKMB-TUAOUCFPSA-N 0 1 227.348 2.243 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000450831284 202281892 /nfs/dbraw/zinc/28/18/92/202281892.db2.gz SSOHDXNFPKUKMB-QJPTWQEYSA-N 0 1 227.348 2.243 20 0 BEADMN CC(C)=CCCN[C@@H](C)c1nc(C)no1 ZINC000309102009 491144986 /nfs/dbraw/zinc/14/49/86/491144986.db2.gz GHARPEUATCYKDH-VIFPVBQESA-N 0 1 209.293 2.385 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000578451758 366572425 /nfs/dbraw/zinc/57/24/25/366572425.db2.gz NZZHBAMEQPJDBZ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN C(SC1CCC1)c1n[nH]c(C2CC2)n1 ZINC000450986862 202328094 /nfs/dbraw/zinc/32/80/94/202328094.db2.gz SCBGRPSUFMMWJI-UHFFFAOYSA-N 0 1 209.318 2.468 20 0 BEADMN c1nnsc1CN1CC[C@@H](CC2CC2)C1 ZINC000451074168 202350278 /nfs/dbraw/zinc/35/02/78/202350278.db2.gz ORDDXBMMOIYFNR-JTQLQIEISA-N 0 1 223.345 2.160 20 0 BEADMN c1nnsc1CN(C1CCC1)C1CCC1 ZINC000451060336 202343716 /nfs/dbraw/zinc/34/37/16/202343716.db2.gz JLIHLOWYCJIBFT-UHFFFAOYSA-N 0 1 223.345 2.445 20 0 BEADMN CC(C)N(C[C@@H]1CCC(C)(C)O1)C1COC1 ZINC000451121040 202356542 /nfs/dbraw/zinc/35/65/42/202356542.db2.gz OXYDZKBDXCTHBA-LBPRGKRZSA-N 0 1 227.348 2.053 20 0 BEADMN O=C(CCN1CC[C@H](F)C1)Nc1ccccc1 ZINC000451187572 202371984 /nfs/dbraw/zinc/37/19/84/202371984.db2.gz NKCFXQXRVJZFRG-NSHDSACASA-N 0 1 236.290 2.059 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC000612600895 359907425 /nfs/dbraw/zinc/90/74/25/359907425.db2.gz MXXCMGVLQNMNNI-JOYOIKCWSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC2(C)C)n1C1CC1 ZINC000578640670 366616733 /nfs/dbraw/zinc/61/67/33/366616733.db2.gz USQMTRSAOPHDNQ-LLVKDONJSA-N 0 1 234.347 2.200 20 0 BEADMN CC[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000578660789 366623202 /nfs/dbraw/zinc/62/32/02/366623202.db2.gz VDADUYFTDQMBPL-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN CCCN(CC(=O)Nc1cc(C)no1)C(C)C ZINC000578664100 366623251 /nfs/dbraw/zinc/62/32/51/366623251.db2.gz CMUOVSAYXOUMBG-UHFFFAOYSA-N 0 1 239.319 2.042 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC[C@@H](CC2CC2)C1 ZINC000578664229 366623380 /nfs/dbraw/zinc/62/33/80/366623380.db2.gz GNUHNWIQZPKOFC-PWSUYJOCSA-N 0 1 246.358 2.072 20 0 BEADMN C[C@@H](NCc1cscn1)[C@@H]1CCCCO1 ZINC000309158420 491145750 /nfs/dbraw/zinc/14/57/50/491145750.db2.gz YBLPXTZOWJOSHY-KOLCDFICSA-N 0 1 226.345 2.190 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1ncccc1O ZINC000578698679 366628144 /nfs/dbraw/zinc/62/81/44/366628144.db2.gz DCWCHBSQISOGFN-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CC[N@H+](CCC1CC1)Cc1ncccc1[O-] ZINC000578698679 366628146 /nfs/dbraw/zinc/62/81/46/366628146.db2.gz DCWCHBSQISOGFN-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1ncccc1[O-] ZINC000578698679 366628148 /nfs/dbraw/zinc/62/81/48/366628148.db2.gz DCWCHBSQISOGFN-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN c1csc([C@@H](N[C@H]2CC23CC3)c2nnc[nH]2)c1 ZINC000578878854 366664944 /nfs/dbraw/zinc/66/49/44/366664944.db2.gz JCJWWEIMRMDQAH-VHSXEESVSA-N 0 1 246.339 2.098 20 0 BEADMN Cc1cc(C)c(C(=O)NCc2cnc[nH]2)c(C)c1 ZINC000088759265 359977509 /nfs/dbraw/zinc/97/75/09/359977509.db2.gz GPNWRRBSBMVXFU-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NCc1ncn(C)n1 ZINC000090969298 360094705 /nfs/dbraw/zinc/09/47/05/360094705.db2.gz IGMJQBYKSRIFFR-NWDGAFQWSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccc(COC)cc1 ZINC000091980728 360140303 /nfs/dbraw/zinc/14/03/03/360140303.db2.gz YXULXXIPKHCKQI-OAHLLOKOSA-N 0 1 249.354 2.444 20 0 BEADMN O=C(CCCF)Nc1ccccc1-c1nnc[nH]1 ZINC000612879056 360151444 /nfs/dbraw/zinc/15/14/44/360151444.db2.gz SCSCFSGIVUXDGF-UHFFFAOYSA-N 0 1 248.261 2.160 20 0 BEADMN CN1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC000612867169 360131056 /nfs/dbraw/zinc/13/10/56/360131056.db2.gz WMKYCCRIPLGJCC-UITAMQMPSA-N 0 1 230.355 2.337 20 0 BEADMN C[C@H]1CCN(Cc2ccccc2F)C[C@@H]1O ZINC000093342590 360234884 /nfs/dbraw/zinc/23/48/84/360234884.db2.gz JBJGCCWIROSJIU-GWCFXTLKSA-N 0 1 223.291 2.028 20 0 BEADMN Cc1cccc([C@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000093453372 360244976 /nfs/dbraw/zinc/24/49/76/360244976.db2.gz JFIACQVHXLBQDP-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN c1nc(CN2CCC(C3CCOCC3)CC2)c[nH]1 ZINC000093705040 360273028 /nfs/dbraw/zinc/27/30/28/360273028.db2.gz BWLZILNWOLOVRM-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN Cc1ccc(NC(=O)c2ncccc2O)c(C)n1 ZINC000094666419 360314968 /nfs/dbraw/zinc/31/49/68/360314968.db2.gz VGVSCORWUGSOOM-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN O=C(Nc1ccccc1O)c1ccc(F)cc1O ZINC000123266144 360399468 /nfs/dbraw/zinc/39/94/68/360399468.db2.gz FZTMMDPPNMMQGD-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN O=C(CCCF)Nc1nc2ccc(F)cc2[nH]1 ZINC000614132928 363730612 /nfs/dbraw/zinc/73/06/12/363730612.db2.gz LBGSOOSXKDZTBZ-UHFFFAOYSA-N 0 1 239.225 2.390 20 0 BEADMN CC(=O)Nc1ccccc1CNCC(C)(C)F ZINC000631190359 360536714 /nfs/dbraw/zinc/53/67/14/360536714.db2.gz ZCTARLMJIVAOFB-UHFFFAOYSA-N 0 1 238.306 2.483 20 0 BEADMN C[C@@H](N[C@@H](C)[C@H]1CCCOC1)C(C)(F)F ZINC000449417784 219839305 /nfs/dbraw/zinc/83/93/05/219839305.db2.gz ZOQRYFMLWWDZLW-AEJSXWLSSA-N 0 1 221.291 2.435 20 0 BEADMN CCC(C)(C)CCNC(=O)[C@H]1CCCCN1C ZINC000633966256 360656719 /nfs/dbraw/zinc/65/67/19/360656719.db2.gz ACQHDVYVNXEPGF-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCC(F)(F)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000628844042 360696567 /nfs/dbraw/zinc/69/65/67/360696567.db2.gz WOTATLJRPYLNED-AOOOYVTPSA-N 0 1 248.317 2.021 20 0 BEADMN CC(C)(C)OC(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152650673 360751930 /nfs/dbraw/zinc/75/19/30/360751930.db2.gz UBXPWPKCFOEIMK-PHIMTYICSA-N 0 1 225.332 2.060 20 0 BEADMN Fc1cccc2c1OCC[C@@H]2NC1CSC1 ZINC000309548045 491151099 /nfs/dbraw/zinc/15/10/99/491151099.db2.gz DXXMCLMXJFDHGE-NSHDSACASA-N 0 1 239.315 2.354 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cn1 ZINC000153920570 360780268 /nfs/dbraw/zinc/78/02/68/360780268.db2.gz YMIYFXKIXVHFIA-OCCSQVGLSA-N 0 1 234.343 2.125 20 0 BEADMN C[C@H]1CCCC[C@H]1Sc1nc(N)cc(N)n1 ZINC000629096201 360877587 /nfs/dbraw/zinc/87/75/87/360877587.db2.gz MOBBUSLSSLJHSV-JGVFFNPUSA-N 0 1 238.360 2.142 20 0 BEADMN C[C@H]1C[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000629112834 360881401 /nfs/dbraw/zinc/88/14/01/360881401.db2.gz FCKXNYANPFZNEH-XPUUQOCRSA-N 0 1 209.318 2.430 20 0 BEADMN C[C@H]1C[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000629112834 360881406 /nfs/dbraw/zinc/88/14/06/360881406.db2.gz FCKXNYANPFZNEH-XPUUQOCRSA-N 0 1 209.318 2.430 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629364287 361006829 /nfs/dbraw/zinc/00/68/29/361006829.db2.gz MASBMPMRLZOVAM-AEJSXWLSSA-N 0 1 249.301 2.463 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361593 361010585 /nfs/dbraw/zinc/01/05/85/361010585.db2.gz JIACWZACUHQQKB-CABZTGNLSA-N 0 1 231.295 2.356 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC000629362572 361011485 /nfs/dbraw/zinc/01/14/85/361011485.db2.gz VWKLXJYFCBYDRU-PWSUYJOCSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000629363376 361012928 /nfs/dbraw/zinc/01/29/28/361012928.db2.gz HQQSRTCHRWITKR-IJLUTSLNSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000629363377 361013119 /nfs/dbraw/zinc/01/31/19/361013119.db2.gz HQQSRTCHRWITKR-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000629363375 361013142 /nfs/dbraw/zinc/01/31/42/361013142.db2.gz HQQSRTCHRWITKR-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629374193 361023426 /nfs/dbraw/zinc/02/34/26/361023426.db2.gz UBMICNWDNGVNTC-GRYCIOLGSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCF)[C@@H]2CCC[C@@H]21 ZINC000629374185 361023799 /nfs/dbraw/zinc/02/37/99/361023799.db2.gz TZCXMZQADWLMFY-IJLUTSLNSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1c(Cl)c(CN[C@@H](C)C2CC2)nn1C ZINC000421337526 200848744 /nfs/dbraw/zinc/84/87/44/200848744.db2.gz ZHEKZXSXTWFSQQ-ZETCQYMHSA-N 0 1 227.739 2.270 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000640380128 361189483 /nfs/dbraw/zinc/18/94/83/361189483.db2.gz NRWILKGJNTYBPV-BDAKNGLRSA-N 0 1 244.298 2.333 20 0 BEADMN CC(C)Oc1ccccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000640477422 361252483 /nfs/dbraw/zinc/25/24/83/361252483.db2.gz SEDZALBNBCUAFS-ZFWWWQNUSA-N 0 1 247.338 2.040 20 0 BEADMN CC[C@H](CCO)N[C@H](C)c1csc(C)n1 ZINC000158862910 361213998 /nfs/dbraw/zinc/21/39/98/361213998.db2.gz CHHPGDXCGFGFJT-PSASIEDQSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nocc1NC(=O)c1cn[nH]c1C(C)C ZINC000640484969 361276735 /nfs/dbraw/zinc/27/67/35/361276735.db2.gz BJULARBZEVLGGC-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CCCN(C(=O)c1cccc2nn[nH]c21)C(C)C ZINC000575001866 361289617 /nfs/dbraw/zinc/28/96/17/361289617.db2.gz PMFCTTDFIIIBII-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000575033566 361301856 /nfs/dbraw/zinc/30/18/56/361301856.db2.gz UMQGZQWTYLASOZ-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2CC(C)C)[nH]1 ZINC000428413572 201014510 /nfs/dbraw/zinc/01/45/10/201014510.db2.gz PIOOOTCDLUDRSY-LLVKDONJSA-N 0 1 222.336 2.124 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1cc(C)ncn1 ZINC000428424064 201014700 /nfs/dbraw/zinc/01/47/00/201014700.db2.gz SJJMNPMOWNDALA-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN COc1cc(C)nc(CNC2CC(F)(F)C2)c1 ZINC000428650759 201030286 /nfs/dbraw/zinc/03/02/86/201030286.db2.gz JPKWTIWZSFABLZ-UHFFFAOYSA-N 0 1 242.269 2.286 20 0 BEADMN O[C@@H]1CCCC[C@H]1CCCNCc1cocn1 ZINC000428873981 201048471 /nfs/dbraw/zinc/04/84/71/201048471.db2.gz XGCAHVBFXQDRBQ-WCQYABFASA-N 0 1 238.331 2.096 20 0 BEADMN CO[C@]1(C)CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428940628 201049994 /nfs/dbraw/zinc/04/99/94/201049994.db2.gz QWQWJZJTQNPUKI-TZMCWYRMSA-N 0 1 249.358 2.347 20 0 BEADMN CCC[C@H]1C(C)=NN(c2cc(C)nc(C)n2)C1=O ZINC000614189017 363750155 /nfs/dbraw/zinc/75/01/55/363750155.db2.gz JGHCLYXIQBZZOS-NSHDSACASA-N 0 1 246.314 2.232 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(C(=O)CC2CCC2)C[C@@H]1C ZINC000640613197 361330684 /nfs/dbraw/zinc/33/06/84/361330684.db2.gz FGQLRCKCZDTZSB-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1[C@H](C)CN(C(=O)CC2CCC2)C[C@@H]1C ZINC000640613197 361330688 /nfs/dbraw/zinc/33/06/88/361330688.db2.gz FGQLRCKCZDTZSB-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C2(C)CCC2)C[C@@H]1C ZINC000640614211 361330999 /nfs/dbraw/zinc/33/09/99/361330999.db2.gz OSJPFVCGCZREKO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640616775 361332091 /nfs/dbraw/zinc/33/20/91/361332091.db2.gz QXEIAKXNDDQWHF-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)=CCNC(=O)c1n[nH]c2ccccc21 ZINC000191782012 361354035 /nfs/dbraw/zinc/35/40/35/361354035.db2.gz MIAJIWSQTXGCAQ-UHFFFAOYSA-N 0 1 229.283 2.259 20 0 BEADMN C[C@@H](N[C@@H](C)CC1CCC1)c1ncn(C)n1 ZINC000309811324 491157057 /nfs/dbraw/zinc/15/70/57/491157057.db2.gz ZCLRUEHKHBVIRF-VHSXEESVSA-N 0 1 222.336 2.044 20 0 BEADMN CC[C@H]1CCN1Cc1cccnc1OC ZINC000429276017 201090048 /nfs/dbraw/zinc/09/00/48/201090048.db2.gz LXPQTFFJIZAOIU-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(C)c(C(=O)OC)o1 ZINC000429286569 201090621 /nfs/dbraw/zinc/09/06/21/201090621.db2.gz RZMIAQYUCATWKO-SNVBAGLBSA-N 0 1 237.299 2.359 20 0 BEADMN COC(=O)CN(C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450470557 361379084 /nfs/dbraw/zinc/37/90/84/361379084.db2.gz AUZILURYEQQZBE-SECBINFHSA-N 0 1 247.285 2.059 20 0 BEADMN C[C@H](O)CN1CCc2cccc(F)c2[C@H]1C ZINC000579324834 366759809 /nfs/dbraw/zinc/75/98/09/366759809.db2.gz WJGKOHIOIGOIAM-VHSXEESVSA-N 0 1 223.291 2.126 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCc2n[nH]nc2C1 ZINC000429304549 201100252 /nfs/dbraw/zinc/10/02/52/201100252.db2.gz YQGSBRZNTVWBBJ-NSHDSACASA-N 0 1 242.326 2.232 20 0 BEADMN Cc1cnc(CN([C@H](C)CO)C2CCCC2)o1 ZINC000429627976 201123668 /nfs/dbraw/zinc/12/36/68/201123668.db2.gz OWNAEXRIICIDJL-SNVBAGLBSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CC[C@@H](C)C2)nn1C ZINC000429566283 201113748 /nfs/dbraw/zinc/11/37/48/201113748.db2.gz JKJSDHKGOYJTAS-ZWNOBZJWSA-N 0 1 221.348 2.349 20 0 BEADMN NC1(c2nc(Cc3cccs3)no2)CCCC1 ZINC000052899868 181334951 /nfs/dbraw/zinc/33/49/51/181334951.db2.gz ZQTZLPYWMNIZJH-UHFFFAOYSA-N 0 1 249.339 2.450 20 0 BEADMN CC[C@H]1CCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000433181658 201164825 /nfs/dbraw/zinc/16/48/25/201164825.db2.gz LUXWFULMDQCSSP-VIFPVBQESA-N 0 1 222.336 2.087 20 0 BEADMN NC1(c2noc(C3CC(F)(F)C3)n2)CCCC1 ZINC000335664020 181337188 /nfs/dbraw/zinc/33/71/88/181337188.db2.gz RPSUJDVNGSKNKQ-UHFFFAOYSA-N 0 1 243.257 2.310 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1ncnn1C(C)C ZINC000434545299 201227421 /nfs/dbraw/zinc/22/74/21/201227421.db2.gz VHTDKIFDNBDIMR-NEPJUHHUSA-N 0 1 236.363 2.479 20 0 BEADMN CCO[C@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000629675356 361598617 /nfs/dbraw/zinc/59/86/17/361598617.db2.gz QPXPINFKLFBJTH-ZJUUUORDSA-N 0 1 239.319 2.228 20 0 BEADMN C[C@@H](Cc1nc([C@@H]2CCCN2)no1)C(F)(F)F ZINC000629675562 361598761 /nfs/dbraw/zinc/59/87/61/361598761.db2.gz XWNVFSJSYHCTHX-BQBZGAKWSA-N 0 1 249.236 2.235 20 0 BEADMN CC(C)c1nocc1-c1nc([C@@H]2CCCN2)no1 ZINC000629675441 361598830 /nfs/dbraw/zinc/59/88/30/361598830.db2.gz SOXBOTBUMJJJCV-VIFPVBQESA-N 0 1 248.286 2.273 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1ncnn1C(C)C ZINC000434545300 201226079 /nfs/dbraw/zinc/22/60/79/201226079.db2.gz VHTDKIFDNBDIMR-NWDGAFQWSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1ncnn1C(C)C ZINC000434487650 201222339 /nfs/dbraw/zinc/22/23/39/201222339.db2.gz XNZDGHDRWGNCIK-RYUDHWBXSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H](CC(=O)N1C[C@@H](C)N[C@H](C)C1)C(C)C ZINC000153246589 201228255 /nfs/dbraw/zinc/22/82/55/201228255.db2.gz KHMHIBZFBSNAMX-JHJVBQTASA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN2CCC[C@H](O)C2)o1 ZINC000435058692 201250166 /nfs/dbraw/zinc/25/01/66/201250166.db2.gz NKUIVHGSZFXYFH-GMXVVIOVSA-N 0 1 235.327 2.360 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153720165 201248858 /nfs/dbraw/zinc/24/88/58/201248858.db2.gz GHLQJALYJIUNPF-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccsc1 ZINC000070618254 361645108 /nfs/dbraw/zinc/64/51/08/361645108.db2.gz XZHQMEMBOGWBEP-LLVKDONJSA-N 0 1 225.313 2.187 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccsc1 ZINC000070618255 361645223 /nfs/dbraw/zinc/64/52/23/361645223.db2.gz XZHQMEMBOGWBEP-NSHDSACASA-N 0 1 225.313 2.187 20 0 BEADMN c1cncc(-c2ccc([C@H]3COCCN3)cc2)c1 ZINC000629711308 361647402 /nfs/dbraw/zinc/64/74/02/361647402.db2.gz CMDKBJZBFLOXHO-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2cccc(N)c2)n1 ZINC000435907974 201298626 /nfs/dbraw/zinc/29/86/26/201298626.db2.gz RREXFMDUMQHMKQ-LLVKDONJSA-N 0 1 246.314 2.365 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000436273334 201319484 /nfs/dbraw/zinc/31/94/84/201319484.db2.gz ULCRZWWXFLQFLQ-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)(C)C1CC(NCc2nnc3n2CCC3)C1 ZINC000436469095 201327629 /nfs/dbraw/zinc/32/76/29/201327629.db2.gz YHSKPWJMTXUZEZ-UHFFFAOYSA-N 0 1 248.374 2.139 20 0 BEADMN CC(C)n1ncnc1CNCCC(C)(C)F ZINC000631173049 361696662 /nfs/dbraw/zinc/69/66/62/361696662.db2.gz IKFXMUWJNGQMHP-UHFFFAOYSA-N 0 1 228.315 2.087 20 0 BEADMN O=C(CCc1cnc[nH]1)NC[C@H]1CCCC12CC2 ZINC000629832321 361731072 /nfs/dbraw/zinc/73/10/72/361731072.db2.gz ZRLHMZZKGWATPS-LLVKDONJSA-N 0 1 247.342 2.039 20 0 BEADMN CC[C@](C)(NC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC000618956481 364022889 /nfs/dbraw/zinc/02/28/89/364022889.db2.gz KHLOEKQJNFQATN-AWEZNQCLSA-N 0 1 247.342 2.207 20 0 BEADMN NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000042205389 181355211 /nfs/dbraw/zinc/35/52/11/181355211.db2.gz GUVNIIOOBFXULD-UHFFFAOYSA-N 0 1 226.279 2.251 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1ccc(Cl)s1 ZINC000170754763 364166400 /nfs/dbraw/zinc/16/64/00/364166400.db2.gz KWIZJSYRUJXZET-SSDOTTSWSA-N 0 1 246.763 2.140 20 0 BEADMN COCc1nc(CN[C@@H]2CC[C@H]2C)cs1 ZINC000380328940 541343664 /nfs/dbraw/zinc/34/36/64/541343664.db2.gz NHOREFADILELMU-PSASIEDQSA-N 0 1 226.345 2.178 20 0 BEADMN CC[C@H](COC)NCc1nc2c(s1)CCC2 ZINC000093076249 541347236 /nfs/dbraw/zinc/34/72/36/541347236.db2.gz QPRCGLJWDRYFQO-SECBINFHSA-N 0 1 240.372 2.146 20 0 BEADMN CC(C)Oc1cccc(Cn2ccnc2CN)c1 ZINC000630583340 364284006 /nfs/dbraw/zinc/28/40/06/364284006.db2.gz FCHJLCKNRSBOJA-UHFFFAOYSA-N 0 1 245.326 2.177 20 0 BEADMN Cn1ccnc1[C@@H](NC1CC(C)(F)C1)C1CC1 ZINC000453226667 202712368 /nfs/dbraw/zinc/71/23/68/202712368.db2.gz ABLKKVMQJYGMOZ-AKJDGMEZSA-N 0 1 237.322 2.351 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cocn2)C12CCC2 ZINC000182075934 366864873 /nfs/dbraw/zinc/86/48/73/366864873.db2.gz LJYHFFOEDSHKSP-RYUDHWBXSA-N 0 1 236.315 2.112 20 0 BEADMN CSCC[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000167577956 364796612 /nfs/dbraw/zinc/79/66/12/364796612.db2.gz TZNHXRQWOIZYFV-UHFFFAOYSA-N 0 1 245.369 2.241 20 0 BEADMN CC[C@@H](O)CNC1(c2nc(C)cs2)CCC1 ZINC000275157962 364758768 /nfs/dbraw/zinc/75/87/68/364758768.db2.gz IFSAPLZYUHDOMQ-SNVBAGLBSA-N 0 1 240.372 2.191 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000167803338 364812064 /nfs/dbraw/zinc/81/20/64/364812064.db2.gz YRDDFYWQMJHBJL-AAEUAGOBSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1cc[nH+]c(N2CCC(CCC(=O)[O-])CC2)c1 ZINC000573374993 364814445 /nfs/dbraw/zinc/81/44/45/364814445.db2.gz ITMUORRWDNPUAT-UHFFFAOYSA-N 0 1 248.326 2.471 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C(=O)[O-])CC1 ZINC000573625738 364880435 /nfs/dbraw/zinc/88/04/35/364880435.db2.gz DLBSXSZEEQLOHZ-FGWVZKOKSA-N 0 1 223.316 2.114 20 0 BEADMN CC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1OC ZINC000573707703 364898344 /nfs/dbraw/zinc/89/83/44/364898344.db2.gz GSGZGFGSYHVDCO-CQSZACIVSA-N 0 1 248.370 2.221 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@H]1CCCC1(F)F ZINC000573864767 364935056 /nfs/dbraw/zinc/93/50/56/364935056.db2.gz ZHXPWDVCASTCHQ-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CCCN(Cc1cnccn1)C[C@H]1CCCCO1 ZINC000574017974 364967531 /nfs/dbraw/zinc/96/75/31/364967531.db2.gz MITMRDABBJUODX-CQSZACIVSA-N 0 1 249.358 2.258 20 0 BEADMN C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000574039657 364974351 /nfs/dbraw/zinc/97/43/51/364974351.db2.gz NSLLCLQXUVPDMB-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1CC[C@@H]([N@H+](C)Cc2ncccc2[O-])C1 ZINC000574198889 365008539 /nfs/dbraw/zinc/00/85/39/365008539.db2.gz HLSALHCUJNQIEH-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ncccc2[O-])C1 ZINC000574198889 365008542 /nfs/dbraw/zinc/00/85/42/365008542.db2.gz HLSALHCUJNQIEH-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(C(C)=O)c1 ZINC000574213486 365012089 /nfs/dbraw/zinc/01/20/89/365012089.db2.gz VBRKXWVHXAVEIA-UHFFFAOYSA-N 0 1 249.310 2.186 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000574416625 365059489 /nfs/dbraw/zinc/05/94/89/365059489.db2.gz OBMRFKDIWHKILF-DTORHVGOSA-N 0 1 233.315 2.042 20 0 BEADMN CO[C@H]1CCCN(Cc2c(C)nsc2C)C1 ZINC000574592616 365098415 /nfs/dbraw/zinc/09/84/15/365098415.db2.gz UCUIBDGPHDPALW-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN Cc1nc(CNCCc2ncccc2C)[nH]c1C ZINC000574651843 365115194 /nfs/dbraw/zinc/11/51/94/365115194.db2.gz JQKPCQYIOGQHPE-UHFFFAOYSA-N 0 1 244.342 2.062 20 0 BEADMN COC(=O)c1cccc(CN(C)[C@H]2CC2(C)C)n1 ZINC000574860419 365161061 /nfs/dbraw/zinc/16/10/61/365161061.db2.gz ISQYKLRBXXIJEZ-LBPRGKRZSA-N 0 1 248.326 2.099 20 0 BEADMN CSCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000379773778 365161984 /nfs/dbraw/zinc/16/19/84/365161984.db2.gz BWNZTEOSCSVKOH-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000171176850 365173867 /nfs/dbraw/zinc/17/38/67/365173867.db2.gz DAQVOGBWOOYJJL-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCCc1cc(C(=O)N2CC(CC3CC3)C2)n[nH]1 ZINC000622249148 370800120 /nfs/dbraw/zinc/80/01/20/370800120.db2.gz RSJMEYGSDOVDCH-UHFFFAOYSA-N 0 1 247.342 2.234 20 0 BEADMN CCCCN(C(=O)c1coc(CN)c1)C1CC1 ZINC000444137375 193036514 /nfs/dbraw/zinc/03/65/14/193036514.db2.gz GPVLWDVVJMRAJR-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN CC(C)(C(=O)NCc1cnc[nH]1)c1cccs1 ZINC000443541718 193023811 /nfs/dbraw/zinc/02/38/11/193023811.db2.gz ULENFZJRMLRAKV-UHFFFAOYSA-N 0 1 249.339 2.065 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000575131139 365215905 /nfs/dbraw/zinc/21/59/05/365215905.db2.gz VKPCTZPJWIAVBT-ZDUSSCGKSA-N 0 1 249.285 2.047 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000444464383 193047175 /nfs/dbraw/zinc/04/71/75/193047175.db2.gz IURHGLFOYKJUNJ-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CCC1CCC1 ZINC000575351546 365300048 /nfs/dbraw/zinc/30/00/48/365300048.db2.gz SVSVESASKSSYNC-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000575802089 365367644 /nfs/dbraw/zinc/36/76/44/365367644.db2.gz CJFUWUWSSWLWQU-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)n[nH]1 ZINC000172999170 365393480 /nfs/dbraw/zinc/39/34/80/365393480.db2.gz AVPQRSQWUHNYFV-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)n[nH]1 ZINC000172999153 365393740 /nfs/dbraw/zinc/39/37/40/365393740.db2.gz AVPQRSQWUHNYFV-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C2CC2)nn1C ZINC000575919430 365413623 /nfs/dbraw/zinc/41/36/23/365413623.db2.gz FTFQQPJTSZPZAK-ZYHUDNBSSA-N 0 1 248.374 2.455 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000576148001 365500124 /nfs/dbraw/zinc/50/01/24/365500124.db2.gz XFKZQWPUKQVFOY-GFCCVEGCSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000576148001 365500126 /nfs/dbraw/zinc/50/01/26/365500126.db2.gz XFKZQWPUKQVFOY-GFCCVEGCSA-N 0 1 220.316 2.408 20 0 BEADMN CN(C)CC[N@@H+](CCC1CC1)Cc1ccccn1 ZINC000576169567 365509227 /nfs/dbraw/zinc/50/92/27/365509227.db2.gz KVXLCVIBLSMLBY-UHFFFAOYSA-N 0 1 247.386 2.245 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCCC1(F)F)C1CCC1 ZINC000576173798 365510327 /nfs/dbraw/zinc/51/03/27/365510327.db2.gz APISRDMRGHOBOB-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H]1CCCC[C@@H]1OCCNCc1cnccn1 ZINC000579683225 366975730 /nfs/dbraw/zinc/97/57/30/366975730.db2.gz UNKYISDWDWRTNY-OCCSQVGLSA-N 0 1 249.358 2.162 20 0 BEADMN CCn1ccnc1NCc1cnc(C2CC2)nc1 ZINC000579686607 366978561 /nfs/dbraw/zinc/97/85/61/366978561.db2.gz HJGLIYROTDSMQL-UHFFFAOYSA-N 0 1 243.314 2.183 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@@H]2C2CC2)[nH]c1C ZINC000579735366 366999259 /nfs/dbraw/zinc/99/92/59/366999259.db2.gz ZBZZTBGBMTXWOX-ZIAGYGMSSA-N 0 1 249.358 2.074 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)[nH]n1 ZINC000183362893 367016806 /nfs/dbraw/zinc/01/68/06/367016806.db2.gz ZHDFSWWYEWSCRO-CKYFFXLPSA-N 0 1 249.358 2.202 20 0 BEADMN CC(C)(C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184191716 367068970 /nfs/dbraw/zinc/06/89/70/367068970.db2.gz NIVNUFQTPYFPAZ-UHFFFAOYSA-N 0 1 244.298 2.000 20 0 BEADMN CCc1nc(CN(C)Cc2ccc(F)cc2)n[nH]1 ZINC000185150336 367121353 /nfs/dbraw/zinc/12/13/53/367121353.db2.gz REANRHPGAHBWIH-UHFFFAOYSA-N 0 1 248.305 2.138 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cnccc1N(C)C ZINC000622291340 370826480 /nfs/dbraw/zinc/82/64/80/370826480.db2.gz IIIXVCUYLYNYKU-JTQLQIEISA-N 0 1 247.342 2.018 20 0 BEADMN CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C1CC1 ZINC000622295144 370827581 /nfs/dbraw/zinc/82/75/81/370827581.db2.gz QTSXQFLAMMKQJC-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000581078542 367257378 /nfs/dbraw/zinc/25/73/78/367257378.db2.gz WMLVWOLXELVKBF-ZDUSSCGKSA-N 0 1 249.285 2.047 20 0 BEADMN Cc1cnc(CN2CCC[C@H]([C@@H](C)O)C2)s1 ZINC000581182309 367285578 /nfs/dbraw/zinc/28/55/78/367285578.db2.gz HYPVEOYXHSCCLQ-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)CC(C)(C)O1 ZINC000194500415 367298950 /nfs/dbraw/zinc/29/89/50/367298950.db2.gz QAQBIUGALFGHSA-LLVKDONJSA-N 0 1 222.332 2.024 20 0 BEADMN CO[C@@H]1CCC[C@H]1Nc1ccnc(C)c1Cl ZINC000380761149 367299142 /nfs/dbraw/zinc/29/91/42/367299142.db2.gz WHAYASRNBFPRIL-MWLCHTKSSA-N 0 1 240.734 2.445 20 0 BEADMN CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)[O-] ZINC000380797839 367304873 /nfs/dbraw/zinc/30/48/73/367304873.db2.gz QFCZIUBUXCFWRQ-SSDOTTSWSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1ccn(C)n1 ZINC000381519995 367423687 /nfs/dbraw/zinc/42/36/87/367423687.db2.gz WCRSSXUIRKVHOB-QMMMGPOBSA-N 0 1 235.253 2.241 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381527578 367423983 /nfs/dbraw/zinc/42/39/83/367423983.db2.gz OMAJSLUVPIJPSG-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN CCOC[C@H]1CCC[C@@H]1NCC(C)(F)F ZINC000382176214 367493096 /nfs/dbraw/zinc/49/30/96/367493096.db2.gz YBVRMHDZOZKTHP-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN CCOC[C@H]1CCC[C@H]1NCC(C)(F)F ZINC000382176210 367493271 /nfs/dbraw/zinc/49/32/71/367493271.db2.gz YBVRMHDZOZKTHP-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN CC1=CC[N@@H+](CCCCCC(=O)[O-])CC1 ZINC000382533319 367534618 /nfs/dbraw/zinc/53/46/18/367534618.db2.gz MEVZABWVWPYPRV-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN C[C@@H](N(C)Cc1nc2ccccc2[nH]1)C(C)(C)O ZINC000382852814 367563126 /nfs/dbraw/zinc/56/31/26/367563126.db2.gz KEDCZTOLVRCUIM-SNVBAGLBSA-N 0 1 247.342 2.154 20 0 BEADMN CCCc1nsc(NC[C@@H]2C[C@H]2C2CC2)n1 ZINC000382396286 367515007 /nfs/dbraw/zinc/51/50/07/367515007.db2.gz NZXYTAJVFDCEEO-UWVGGRQHSA-N 0 1 237.372 2.371 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CC2(F)F)n1 ZINC000581488804 367519047 /nfs/dbraw/zinc/51/90/47/367519047.db2.gz ZJEBEEADERJEJS-RQJHMYQMSA-N 0 1 231.246 2.238 20 0 BEADMN CC(C)c1nsc(NCC[C@H](C)F)n1 ZINC000382430055 367521655 /nfs/dbraw/zinc/52/16/55/367521655.db2.gz ZOINABVNEFLLQP-ZETCQYMHSA-N 0 1 217.313 2.243 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CC[C@H](SC)C1 ZINC000382962700 367573315 /nfs/dbraw/zinc/57/33/15/367573315.db2.gz PCJKHEHGUNZNBN-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN Cc1ccsc1C[N@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC000383631919 367645642 /nfs/dbraw/zinc/64/56/42/367645642.db2.gz BVPHJNLLDYLKGX-NSHDSACASA-N 0 1 239.340 2.352 20 0 BEADMN Cc1ccc2cc[nH+]c(N3CC(C(=O)[O-])C3)c2c1 ZINC000581607830 367632233 /nfs/dbraw/zinc/63/22/33/367632233.db2.gz YHFURAYKSZUSMC-UHFFFAOYSA-N 0 1 242.278 2.064 20 0 BEADMN C[C@H](CC(C)(C)C)NCc1ncccn1 ZINC000384468144 367692317 /nfs/dbraw/zinc/69/23/17/367692317.db2.gz QGEBJQFYHSVDBD-SNVBAGLBSA-N 0 1 207.321 2.391 20 0 BEADMN CC/C=C\CNCc1ccc(COC)o1 ZINC000384803240 367734422 /nfs/dbraw/zinc/73/44/22/367734422.db2.gz YRTQBRRDBRVCLI-PLNGDYQASA-N 0 1 209.289 2.482 20 0 BEADMN COc1ccc(CN(C)CCCCO)c(F)c1 ZINC000384918958 367757725 /nfs/dbraw/zinc/75/77/25/367757725.db2.gz CYRWYFIPZMNLKG-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581834614 367839107 /nfs/dbraw/zinc/83/91/07/367839107.db2.gz UTEHFKZPPVJFOX-MPKXVKKWSA-N 0 1 249.358 2.139 20 0 BEADMN COc1cc(CN[C@H]2CSC2(C)C)sn1 ZINC000399218609 367907771 /nfs/dbraw/zinc/90/77/71/367907771.db2.gz TYJIQKZIOWGKDI-QMMMGPOBSA-N 0 1 244.385 2.135 20 0 BEADMN COc1cc(CN[C@@H]2CSC2(C)C)sn1 ZINC000399218608 367908534 /nfs/dbraw/zinc/90/85/34/367908534.db2.gz TYJIQKZIOWGKDI-MRVPVSSYSA-N 0 1 244.385 2.135 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1ccccc1F ZINC000581935825 367961888 /nfs/dbraw/zinc/96/18/88/367961888.db2.gz IALPDKFUZGOYOZ-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN CCCC[C@H](CC)C(=O)N1CCCN(C)CC1 ZINC000020495833 367969884 /nfs/dbraw/zinc/96/98/84/367969884.db2.gz VDZXIGCPIHVBQK-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386730175 368014174 /nfs/dbraw/zinc/01/41/74/368014174.db2.gz AYYGVQXOTKQENU-UHFFFAOYSA-N 0 1 246.354 2.177 20 0 BEADMN C[C@H](O)[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000386837038 368025370 /nfs/dbraw/zinc/02/53/70/368025370.db2.gz AEHJYQSZWPWYIN-IUCAKERBSA-N 0 1 242.388 2.300 20 0 BEADMN COc1cc(CNCC=C(C)C)sn1 ZINC000399312878 368158958 /nfs/dbraw/zinc/15/89/58/368158958.db2.gz MWJZWNXVFNVERQ-UHFFFAOYSA-N 0 1 212.318 2.208 20 0 BEADMN CC(C)[C@@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789192 368305195 /nfs/dbraw/zinc/30/51/95/368305195.db2.gz GXVFBELXJQADKJ-SNVBAGLBSA-N 0 1 245.326 2.471 20 0 BEADMN Cc1ccc(CCC[N@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000566509034 326060850 /nfs/dbraw/zinc/06/08/50/326060850.db2.gz QDLIAZUNFYBBRK-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@@H]1CCCCO1 ZINC000046407120 368442111 /nfs/dbraw/zinc/44/21/11/368442111.db2.gz JHLDZIDCTVIUJU-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@H](CN(C)C(=O)c1cnccc1N)C(C)(C)C ZINC000399679216 368472430 /nfs/dbraw/zinc/47/24/30/368472430.db2.gz UXRYTSLRHFIRCE-SNVBAGLBSA-N 0 1 249.358 2.248 20 0 BEADMN C[C@@H](CN(C)C(=O)c1cnccc1N)C(C)(C)C ZINC000399679215 368472600 /nfs/dbraw/zinc/47/26/00/368472600.db2.gz UXRYTSLRHFIRCE-JTQLQIEISA-N 0 1 249.358 2.248 20 0 BEADMN CCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000057824589 368500338 /nfs/dbraw/zinc/50/03/38/368500338.db2.gz OLIKYRCAYAEBCI-ZDUSSCGKSA-N 0 1 234.343 2.206 20 0 BEADMN CCN(C)[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000057893386 368502984 /nfs/dbraw/zinc/50/29/84/368502984.db2.gz WAGIDTKYGGAQIU-AWEZNQCLSA-N 0 1 248.370 2.452 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc(F)c1F ZINC000058878339 368524500 /nfs/dbraw/zinc/52/45/00/368524500.db2.gz NMOLBPUSSMQOLI-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCCCOC(C)(C)C ZINC000566984719 326099917 /nfs/dbraw/zinc/09/99/17/326099917.db2.gz QLTNKLHGFRSRSL-NSHDSACASA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)N1CCc2ccccc21 ZINC000060575162 368547343 /nfs/dbraw/zinc/54/73/43/368547343.db2.gz WLLZBOCGAZDUOR-GFCCVEGCSA-N 0 1 246.354 2.306 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000063762079 368595693 /nfs/dbraw/zinc/59/56/93/368595693.db2.gz VBBGVLVXIAKBRU-UHFFFAOYSA-N 0 1 246.354 2.456 20 0 BEADMN C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCCO1 ZINC000064635343 368610566 /nfs/dbraw/zinc/61/05/66/368610566.db2.gz GCSNOVHNGMLYJA-VIFPVBQESA-N 0 1 225.254 2.440 20 0 BEADMN CN(CCC(F)(F)F)C[C@@H]1CCCCO1 ZINC000064635343 368610572 /nfs/dbraw/zinc/61/05/72/368610572.db2.gz GCSNOVHNGMLYJA-VIFPVBQESA-N 0 1 225.254 2.440 20 0 BEADMN CCO[C@H](C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000065514305 368623548 /nfs/dbraw/zinc/62/35/48/368623548.db2.gz QWHTUYAOXOMWBD-MRVPVSSYSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@@H]1CC[C@H](NCc2ncccn2)C[C@@H]1C ZINC000082846422 368718437 /nfs/dbraw/zinc/71/84/37/368718437.db2.gz AEWRVAOEHHGODD-WOPDTQHZSA-N 0 1 219.332 2.391 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CCCN1C ZINC000457243287 203026624 /nfs/dbraw/zinc/02/66/24/203026624.db2.gz GKSDOMLNPQJOSK-DYEKYZERSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CC12CC2 ZINC000622478804 370946955 /nfs/dbraw/zinc/94/69/55/370946955.db2.gz UXUZESWCMAGRDA-LURJTMIESA-N 0 1 241.241 2.394 20 0 BEADMN CCc1ccccc1C[N@@H+](CC)CC(=O)[O-] ZINC000083410735 368773298 /nfs/dbraw/zinc/77/32/98/368773298.db2.gz HNKWAJGTTXKXLP-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN COCCCCSc1n[nH]c(C2CC2)n1 ZINC000154539157 326149533 /nfs/dbraw/zinc/14/95/33/326149533.db2.gz GKXYRGCMBBXBEJ-UHFFFAOYSA-N 0 1 227.333 2.201 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000084054936 368846624 /nfs/dbraw/zinc/84/66/24/368846624.db2.gz PSDUGTIUUIYOLF-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CCCCC1 ZINC000086258821 368876991 /nfs/dbraw/zinc/87/69/91/368876991.db2.gz OFRAYJNWKYUFHO-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(F)ccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000086751827 368884056 /nfs/dbraw/zinc/88/40/56/368884056.db2.gz KPIDNRNZGHPPAX-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN C[N@@H+](CCc1ccccc1)CC1(CC(=O)[O-])CC1 ZINC000088256294 368908304 /nfs/dbraw/zinc/90/83/04/368908304.db2.gz NTDCEAUHGDRURL-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN CC(C)CC[C@H](CO)NCc1nccs1 ZINC000623646613 368968654 /nfs/dbraw/zinc/96/86/54/368968654.db2.gz KIUJUJLCHWKFOW-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1nc(CN[C@H](CO)CCC(C)C)cs1 ZINC000623647387 368970393 /nfs/dbraw/zinc/97/03/93/368970393.db2.gz FAPNKBXQFITWSW-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000088796345 368928808 /nfs/dbraw/zinc/92/88/08/368928808.db2.gz ZAINIKRTYHIYAP-KBPBESRZSA-N 0 1 245.322 2.339 20 0 BEADMN CCc1cc(C(=O)N2[C@H](C)CCC2(C)C)n[nH]1 ZINC000616177704 369009468 /nfs/dbraw/zinc/00/94/68/369009468.db2.gz KJRZWNKKSOCISB-SECBINFHSA-N 0 1 235.331 2.375 20 0 BEADMN CC(C)CCCCC(=O)NCc1cnc[nH]1 ZINC000457580911 203076399 /nfs/dbraw/zinc/07/63/99/203076399.db2.gz PPSBOJDKWOEPSD-UHFFFAOYSA-N 0 1 223.320 2.242 20 0 BEADMN COc1ccc(CN(C)C[C@@H](C)OC)c(F)c1 ZINC000567394800 326183118 /nfs/dbraw/zinc/18/31/18/326183118.db2.gz KYKDSBNVBDTNSM-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN CCc1nc(SCC(=O)CCC(C)C)n[nH]1 ZINC000155470438 326197002 /nfs/dbraw/zinc/19/70/02/326197002.db2.gz JTRWVZUNNBLENL-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CCc1n[nH]c(SCC(=O)CCC(C)C)n1 ZINC000155470438 326197004 /nfs/dbraw/zinc/19/70/04/326197004.db2.gz JTRWVZUNNBLENL-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CC1(C)CCC[C@](CO)(NCc2cocn2)C1 ZINC000623668251 369194268 /nfs/dbraw/zinc/19/42/68/369194268.db2.gz DVWBVEMIUVDGMF-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN CC(C)Nc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000618877620 369234241 /nfs/dbraw/zinc/23/42/41/369234241.db2.gz HSKHIHZCKSRZMH-NSHDSACASA-N 0 1 249.358 2.396 20 0 BEADMN CSCCN[C@H](C)c1nc(C)cs1 ZINC000164569372 203182993 /nfs/dbraw/zinc/18/29/93/203182993.db2.gz YALZCYCVJVQHMR-MRVPVSSYSA-N 0 1 216.375 2.465 20 0 BEADMN CC[C@@H](C)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000567628331 326232748 /nfs/dbraw/zinc/23/27/48/326232748.db2.gz PTDAFIJYMXEVIG-NXEZZACHSA-N 0 1 213.321 2.360 20 0 BEADMN CCOC[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156484780 326233776 /nfs/dbraw/zinc/23/37/76/326233776.db2.gz ONHYJDZWHXQJAW-ZYHUDNBSSA-N 0 1 241.331 2.290 20 0 BEADMN C[NH+]1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000459280496 203245142 /nfs/dbraw/zinc/24/51/42/203245142.db2.gz NBYFVXLMSAOXNX-UHFFFAOYSA-N 0 1 230.355 2.311 20 0 BEADMN COCc1cc(CN(CC(C)C)C2CC2)no1 ZINC000459303009 203250988 /nfs/dbraw/zinc/25/09/88/203250988.db2.gz MECBVFHZZHJNNB-UHFFFAOYSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN[C@H](C)CC2CC2)no1 ZINC000459402638 203273471 /nfs/dbraw/zinc/27/34/71/203273471.db2.gz ATACGFWYLJGUIX-SECBINFHSA-N 0 1 224.304 2.099 20 0 BEADMN COCc1cc(CN2C[C@H](C)CC[C@@H]2C)no1 ZINC000459339335 203261707 /nfs/dbraw/zinc/26/17/07/203261707.db2.gz HUWPZNALYGIRNH-MNOVXSKESA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN2[C@H](C)CC[C@H]2C)no1 ZINC000459365648 203264180 /nfs/dbraw/zinc/26/41/80/203264180.db2.gz XHJYJZCBUWFOIQ-NXEZZACHSA-N 0 1 224.304 2.194 20 0 BEADMN CCC[C@@H]1CN(C2CC(OC(C)C)C2)CCO1 ZINC000459383066 203270888 /nfs/dbraw/zinc/27/08/88/203270888.db2.gz DXEWXIAQKUUCEV-ROKHWSDSSA-N 0 1 241.375 2.443 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1ccccc1C ZINC000459471894 203287924 /nfs/dbraw/zinc/28/79/24/203287924.db2.gz NVWCXMHTOJHLQL-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459506238 203292615 /nfs/dbraw/zinc/29/26/15/203292615.db2.gz GAGJULLMTAWGOS-XBFCOCLRSA-N 0 1 247.338 2.283 20 0 BEADMN CCOC[C@@H]1CCC[C@H]1NCC(F)F ZINC000459546614 203293953 /nfs/dbraw/zinc/29/39/53/203293953.db2.gz MWVVGVKWGIHQAX-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CO[C@H](CNCc1cc(C)on1)C(C)(C)C ZINC000459408725 203276931 /nfs/dbraw/zinc/27/69/31/203276931.db2.gz AFUWIRWEZLKZDV-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN CCC(F)(F)CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000623680129 369381513 /nfs/dbraw/zinc/38/15/13/369381513.db2.gz YSEZFOLMYHDXES-ZJUUUORDSA-N 0 1 232.318 2.247 20 0 BEADMN OCCC1CN(Cc2cc3cc(F)ccc3o2)C1 ZINC000459584909 203306665 /nfs/dbraw/zinc/30/66/65/203306665.db2.gz AZIRJTAFIYMFST-UHFFFAOYSA-N 0 1 249.285 2.386 20 0 BEADMN Cc1cc(CNC[C@@]2(O)CCCC2(C)C)no1 ZINC000459582586 203306682 /nfs/dbraw/zinc/30/66/82/203306682.db2.gz DVLLHQCWXURHMA-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN OCCC1CN(Cc2cc3ccccc3o2)C1 ZINC000459585924 203307562 /nfs/dbraw/zinc/30/75/62/203307562.db2.gz CUWLMGLAXPZIGT-UHFFFAOYSA-N 0 1 231.295 2.247 20 0 BEADMN CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108302531 369386022 /nfs/dbraw/zinc/38/60/22/369386022.db2.gz ZXHPMWJVVWBYLR-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](C)CN1CC(OCCCOC)C1 ZINC000459590169 203308918 /nfs/dbraw/zinc/30/89/18/203308918.db2.gz JKYCZLVMTZQPIY-GFCCVEGCSA-N 0 1 229.364 2.160 20 0 BEADMN Cc1cc(Cl)ccc1CN1CC(CCO)C1 ZINC000459592489 203309966 /nfs/dbraw/zinc/30/99/66/203309966.db2.gz MREKDMRKOBDWPX-UHFFFAOYSA-N 0 1 239.746 2.463 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000619428459 369345642 /nfs/dbraw/zinc/34/56/42/369345642.db2.gz QNLXLGRSSVMUDH-MNOVXSKESA-N 0 1 245.338 2.256 20 0 BEADMN CC(C)(C)OC(=O)C1CN(CC2(C)CCC2)C1 ZINC000459599328 203312945 /nfs/dbraw/zinc/31/29/45/203312945.db2.gz YEJQFTXBPLVDCF-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN COCc1cc(CNC2C(C)(C)C2(C)C)no1 ZINC000459552120 203298805 /nfs/dbraw/zinc/29/88/05/203298805.db2.gz REPPBELJLBFNLZ-UHFFFAOYSA-N 0 1 238.331 2.345 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@H]2C(C)C)no1 ZINC000459568031 203303719 /nfs/dbraw/zinc/30/37/19/203303719.db2.gz IYKKZYJYOBFNNU-JQWIXIFHSA-N 0 1 208.305 2.365 20 0 BEADMN CS[C@H]1CCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459571113 203304400 /nfs/dbraw/zinc/30/44/00/203304400.db2.gz FSFLELGKXIKSOW-LBPRGKRZSA-N 0 1 249.383 2.291 20 0 BEADMN c1nc(C2CC2)ncc1CN1CC[C@H]1C1CC1 ZINC000459569643 203304676 /nfs/dbraw/zinc/30/46/76/203304676.db2.gz DCWOQQLILZBAOA-ZDUSSCGKSA-N 0 1 229.327 2.338 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCO[C@H](C)C1 ZINC000623679234 369378726 /nfs/dbraw/zinc/37/87/26/369378726.db2.gz NLCYDJGVPBNQTP-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN CCOC1CN(CC2(OC)CCCCC2)C1 ZINC000459611262 203317609 /nfs/dbraw/zinc/31/76/09/203317609.db2.gz SVJXFDBHCBTYLQ-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CC[C@@H](N[C@H](C)c1cscn1)[C@@H](O)CC ZINC000313155783 326258069 /nfs/dbraw/zinc/25/80/69/326258069.db2.gz NNKBSTPHNDHTFB-KKZNHRDASA-N 0 1 228.361 2.343 20 0 BEADMN CC1(CO)CN(Cc2ccc(C3CC3)cc2)C1 ZINC000459619365 203318437 /nfs/dbraw/zinc/31/84/37/203318437.db2.gz IASRCRNSZGHCKY-UHFFFAOYSA-N 0 1 231.339 2.378 20 0 BEADMN COCC1(C)CN(Cc2sc(C)nc2C)C1 ZINC000459618118 203320061 /nfs/dbraw/zinc/32/00/61/203320061.db2.gz BVXMMVGYJVYGBP-UHFFFAOYSA-N 0 1 240.372 2.228 20 0 BEADMN COCCC1(C)CN(Cc2cccnc2C)C1 ZINC000459631292 203323920 /nfs/dbraw/zinc/32/39/20/203323920.db2.gz KMSKMDJXWLZZPG-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc(C)cs2)C1 ZINC000459653304 203330973 /nfs/dbraw/zinc/33/09/73/203330973.db2.gz XWSZLFJUWLYIHH-AOOOYVTPSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccc(CNC(=O)CN2CCCCC2)cc1 ZINC000057826807 369451200 /nfs/dbraw/zinc/45/12/00/369451200.db2.gz LSYGWWHDQSGIHK-UHFFFAOYSA-N 0 1 246.354 2.097 20 0 BEADMN CCCC[C@H](COC)NCc1cnc(C)o1 ZINC000459679122 203335530 /nfs/dbraw/zinc/33/55/30/203335530.db2.gz SFZCZQDXWAYFCF-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cnc(C)nc1 ZINC000459675793 203336242 /nfs/dbraw/zinc/33/62/42/203336242.db2.gz MYQLZZUWHGXRPQ-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H](NC/C=C/c1ccncc1)c1ccn(C)n1 ZINC000459750243 203353881 /nfs/dbraw/zinc/35/38/81/203353881.db2.gz LHICRUHYWABASO-AAOUONPWSA-N 0 1 242.326 2.179 20 0 BEADMN c1nc2ccccn2c1CN1C[C@@H]2C[C@H]1CS2 ZINC000459767346 203360688 /nfs/dbraw/zinc/36/06/88/203360688.db2.gz PMNCUZQILPRGES-JQWIXIFHSA-N 0 1 245.351 2.024 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc(C)c(C)s1 ZINC000459769550 203362648 /nfs/dbraw/zinc/36/26/48/203362648.db2.gz HCBDYXOKZVFFSC-MNOVXSKESA-N 0 1 240.372 2.417 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1csc(C)n1 ZINC000459745213 203352137 /nfs/dbraw/zinc/35/21/37/203352137.db2.gz SFTLGSWNUNCJFC-MNOVXSKESA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](NC/C=C\c1ccncc1)c1ccn(C)n1 ZINC000459750244 203353167 /nfs/dbraw/zinc/35/31/67/203353167.db2.gz LHICRUHYWABASO-MVZIDQBPSA-N 0 1 242.326 2.179 20 0 BEADMN C[C@@H](NC/C=C\c1ccncc1)c1ccn(C)n1 ZINC000459750246 203353231 /nfs/dbraw/zinc/35/32/31/203353231.db2.gz LHICRUHYWABASO-VSQXVHSFSA-N 0 1 242.326 2.179 20 0 BEADMN CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1C ZINC000082306438 370983070 /nfs/dbraw/zinc/98/30/70/370983070.db2.gz LBBRKVMOQQHROR-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN c1cc(CN2CCCC2)n(CC2CCC2)n1 ZINC000631036177 370987542 /nfs/dbraw/zinc/98/75/42/370987542.db2.gz HLKVRAQESMTTFK-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1ccn(C)n1 ZINC000459782925 203368710 /nfs/dbraw/zinc/36/87/10/203368710.db2.gz HQAOPRAGDZCFQZ-GFCCVEGCSA-N 0 1 245.326 2.150 20 0 BEADMN CC[N@@H+]1CCN(CCSC(C)C)C[C@H]1C ZINC000619780183 369584676 /nfs/dbraw/zinc/58/46/76/369584676.db2.gz CZUIXANMDBDFPP-GFCCVEGCSA-N 0 1 230.421 2.154 20 0 BEADMN CC(C)[C@H](NC(=O)[C@H]1CCCCN1C)C1CC1 ZINC000620041803 369684847 /nfs/dbraw/zinc/68/48/47/369684847.db2.gz NKECNPHGOWMXLL-OLZOCXBDSA-N 0 1 238.375 2.022 20 0 BEADMN CCN(CC(=O)N[C@H](C(C)C)C1CC1)C1CC1 ZINC000620042357 369685713 /nfs/dbraw/zinc/68/57/13/369685713.db2.gz KTTABVYBRSJZPW-CQSZACIVSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000620213603 369773167 /nfs/dbraw/zinc/77/31/67/369773167.db2.gz BCODGYQAMXLSRA-ZETCQYMHSA-N 0 1 225.675 2.280 20 0 BEADMN CC1(NC(=O)c2[nH]nc3c2CCCC3)CCCC1 ZINC000620251095 369785592 /nfs/dbraw/zinc/78/55/92/369785592.db2.gz WEKQMQDKIJQUCP-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN CC(C)CC1(NC(=O)CCc2cnc[nH]2)CC1 ZINC000620284424 369799901 /nfs/dbraw/zinc/79/99/01/369799901.db2.gz BDXBFCXCCKUICG-UHFFFAOYSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cc(C(=O)N(CCC2CC2)CC2CC2)n[nH]1 ZINC000620628237 369969037 /nfs/dbraw/zinc/96/90/37/369969037.db2.gz PYDDDDKUDHBTEV-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1cccc2c1CCC[C@@H]2NC(=O)CN(C)C ZINC000620676437 369975405 /nfs/dbraw/zinc/97/54/05/369975405.db2.gz PLIQOJZSAODYJO-AWEZNQCLSA-N 0 1 246.354 2.050 20 0 BEADMN c1csc(CNC[C@@H]2Cc3ccccc3O2)n1 ZINC000110908172 370000398 /nfs/dbraw/zinc/00/03/98/370000398.db2.gz XFCKPLRBIKXSJS-NSHDSACASA-N 0 1 246.335 2.236 20 0 BEADMN c1csc(CNC[C@H]2Cc3ccccc3O2)n1 ZINC000110908171 370000492 /nfs/dbraw/zinc/00/04/92/370000492.db2.gz XFCKPLRBIKXSJS-LLVKDONJSA-N 0 1 246.335 2.236 20 0 BEADMN CCCc1cc(C(=O)N(C)C[C@@H](C)CC)n[nH]1 ZINC000110961504 370006946 /nfs/dbraw/zinc/00/69/46/370006946.db2.gz CMYWTUDZCMGMRF-JTQLQIEISA-N 0 1 237.347 2.480 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)n[nH]1 ZINC000621055617 370088826 /nfs/dbraw/zinc/08/88/26/370088826.db2.gz YZJSICLYOPTLDQ-VIFPVBQESA-N 0 1 235.331 2.090 20 0 BEADMN CC12CC(C1)CN2C(=O)c1c(O)cccc1F ZINC000621216306 370162391 /nfs/dbraw/zinc/16/23/91/370162391.db2.gz ICXVIYSDMOSALC-UHFFFAOYSA-N 0 1 235.258 2.156 20 0 BEADMN CCN(CC(=O)N(C)C)[C@H](C)c1ccccc1 ZINC000621299292 370227944 /nfs/dbraw/zinc/22/79/44/370227944.db2.gz MGEUWXUXSSGLCZ-GFCCVEGCSA-N 0 1 234.343 2.158 20 0 BEADMN Cc1cc(CN(C)CC2=CCCOC2)ccn1 ZINC000621316094 370242898 /nfs/dbraw/zinc/24/28/98/370242898.db2.gz AWPKPVXGABBIEK-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1nccnc1CSc1nc(C2CC2)n[nH]1 ZINC000631007282 370205683 /nfs/dbraw/zinc/20/56/83/370205683.db2.gz NOZYVMSYEXYTSX-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1nccnc1CSc1n[nH]c(C2CC2)n1 ZINC000631007282 370205687 /nfs/dbraw/zinc/20/56/87/370205687.db2.gz NOZYVMSYEXYTSX-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN CCc1nnc(SC[C@@H]2CC(C)(C)CO2)[nH]1 ZINC000631008103 370206601 /nfs/dbraw/zinc/20/66/01/370206601.db2.gz USGKTWIFUXYPOF-QMMMGPOBSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CC(C)(C)CO2)n1 ZINC000631008103 370206607 /nfs/dbraw/zinc/20/66/07/370206607.db2.gz USGKTWIFUXYPOF-QMMMGPOBSA-N 0 1 241.360 2.274 20 0 BEADMN CC(C)Cn1ncnc1CN[C@@H]1CCC1(C)C ZINC000310203950 370321950 /nfs/dbraw/zinc/32/19/50/370321950.db2.gz SXMSAKRAMPDUNU-LLVKDONJSA-N 0 1 236.363 2.212 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccnn2C(C)C)[nH]1 ZINC000621401686 370338397 /nfs/dbraw/zinc/33/83/97/370338397.db2.gz HGZSKPJSACYDGN-UHFFFAOYSA-N 0 1 247.302 2.056 20 0 BEADMN CC(C)CCN(CC(N)=O)Cc1ccccc1 ZINC000077204304 370399553 /nfs/dbraw/zinc/39/95/53/370399553.db2.gz FVBDGAZQNGFCMQ-UHFFFAOYSA-N 0 1 234.343 2.020 20 0 BEADMN c1cc(CN2CCc3ccccc3CC2)no1 ZINC000077316911 370410773 /nfs/dbraw/zinc/41/07/73/370410773.db2.gz GZNUXZHFOKVZLH-UHFFFAOYSA-N 0 1 228.295 2.275 20 0 BEADMN CCc1noc(CN2CCCC2(C)C)n1 ZINC000077382856 370413869 /nfs/dbraw/zinc/41/38/69/370413869.db2.gz XICZLRUCZYIUCL-UHFFFAOYSA-N 0 1 209.293 2.006 20 0 BEADMN Cc1nccnc1C[N@H+]1CCCC1(C)C ZINC000621714021 370461296 /nfs/dbraw/zinc/46/12/96/370461296.db2.gz DWYNSYCFISLVAG-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN CCCCN(C)CC[NH2+][C@H](C)c1ccccn1 ZINC000159119898 326349995 /nfs/dbraw/zinc/34/99/95/326349995.db2.gz UGEFDUICECOKOM-CYBMUJFWSA-N 0 1 235.375 2.464 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cncc(Cl)c1 ZINC000621774483 370520054 /nfs/dbraw/zinc/52/00/54/370520054.db2.gz VHIBBMAINHYXHI-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN c1ncc(CN2CC(CC3CC3)C2)s1 ZINC000621740557 370492699 /nfs/dbraw/zinc/49/26/99/370492699.db2.gz WMJJKGUVVBXOSH-UHFFFAOYSA-N 0 1 208.330 2.375 20 0 BEADMN CCn1nccc1CN1CC(CC2CC2)C1 ZINC000621740200 370498064 /nfs/dbraw/zinc/49/80/64/370498064.db2.gz CXFWDDKTJIGMFG-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CN(CC(C)(C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621831705 370553586 /nfs/dbraw/zinc/55/35/86/370553586.db2.gz RTFIFJDIOIXOCB-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)(C(=O)N1CCC(C)(C)CC1)c1c[nH]cn1 ZINC000621835373 370556320 /nfs/dbraw/zinc/55/63/20/370556320.db2.gz YNLKCXLXBNKMRI-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000568520501 326362719 /nfs/dbraw/zinc/36/27/19/326362719.db2.gz CSKHJTINNRYTJH-SNVBAGLBSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1cc(NC(=O)c2[nH]c(C)nc2C)sn1 ZINC000621898927 370587630 /nfs/dbraw/zinc/58/76/30/370587630.db2.gz HSAULMODBJYYHN-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CSCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000070183987 371013078 /nfs/dbraw/zinc/01/30/78/371013078.db2.gz YSOLGYZGBCMWAG-UHFFFAOYSA-N 0 1 245.731 2.138 20 0 BEADMN CC(C)[C@H](O)CN[C@H]1CCCc2scnc21 ZINC000623895576 371143827 /nfs/dbraw/zinc/14/38/27/371143827.db2.gz VJILPVPDZNIIJM-VHSXEESVSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1cc(CNCCOc2ccccc2C)on1 ZINC000631052449 371119808 /nfs/dbraw/zinc/11/98/08/371119808.db2.gz SVBMBLXKGFWNAC-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN CCc1cc(CN[C@H](C)[C@H]2CCCCO2)on1 ZINC000623897198 371145213 /nfs/dbraw/zinc/14/52/13/371145213.db2.gz IHEXUIIEXKALHI-ZWNOBZJWSA-N 0 1 238.331 2.284 20 0 BEADMN CC(C)[C@@H](CO)N[C@H]1CCCc2scnc21 ZINC000623903041 371146802 /nfs/dbraw/zinc/14/68/02/371146802.db2.gz XVTWDKMITCWVCQ-VHSXEESVSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CCCCO1 ZINC000623942302 371170019 /nfs/dbraw/zinc/17/00/19/371170019.db2.gz FMHAIZDZEPKSMY-ZANVPECISA-N 0 1 246.314 2.327 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CCCCO1 ZINC000623942302 371170021 /nfs/dbraw/zinc/17/00/21/371170021.db2.gz FMHAIZDZEPKSMY-ZANVPECISA-N 0 1 246.314 2.327 20 0 BEADMN CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)C(=O)[O-] ZINC000390116038 371188118 /nfs/dbraw/zinc/18/81/18/371188118.db2.gz CKYNEUOWQMZKNU-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC(C)C ZINC000623952677 371176569 /nfs/dbraw/zinc/17/65/69/371176569.db2.gz GPVGFPIWRHEMGJ-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CO[C@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623967418 371203670 /nfs/dbraw/zinc/20/36/70/371203670.db2.gz YZZQHYDNHAWGRC-RKDXNWHRSA-N 0 1 226.345 2.145 20 0 BEADMN Cc1csc([C@@H](C)NCC2=CCOCC2)n1 ZINC000623991786 371224550 /nfs/dbraw/zinc/22/45/50/371224550.db2.gz QKRRYWQKDBYPAW-SNVBAGLBSA-N 0 1 238.356 2.449 20 0 BEADMN Cc1csc([C@H](C)NCC2=CCOCC2)n1 ZINC000623991785 371224764 /nfs/dbraw/zinc/22/47/64/371224764.db2.gz QKRRYWQKDBYPAW-JTQLQIEISA-N 0 1 238.356 2.449 20 0 BEADMN CC[C@H](N[C@@H]1CCCc2scnc21)[C@@H](C)O ZINC000623994985 371229622 /nfs/dbraw/zinc/22/96/22/371229622.db2.gz JTEKIBLFMCHGHD-KXUCPTDWSA-N 0 1 240.372 2.270 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1ccn(C)n1)OCC ZINC000624050660 371276658 /nfs/dbraw/zinc/27/66/58/371276658.db2.gz FGPUDLALZALRRU-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN CC(C)N1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000155813922 371300260 /nfs/dbraw/zinc/30/02/60/371300260.db2.gz DYEXTLJLVZNWKD-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(F)(F)CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000624147623 371341689 /nfs/dbraw/zinc/34/16/89/371341689.db2.gz GMSLGFYXPVDDDF-KOLCDFICSA-N 0 1 232.318 2.104 20 0 BEADMN CC[C@@H](NCC(F)(F)CC)[C@@H]1CCOC1 ZINC000624148006 371343252 /nfs/dbraw/zinc/34/32/52/371343252.db2.gz SGLCCMZTVXSUTQ-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN C/C=C\CN[C@H](C)c1cc2n(n1)CCC2 ZINC000624199312 371389957 /nfs/dbraw/zinc/38/99/57/371389957.db2.gz LSOSRKHUWGQHQU-UMBAGQNISA-N 0 1 205.305 2.056 20 0 BEADMN Cc1cc(CNCc2ccc(C)cc2F)[nH]n1 ZINC000631076493 371370688 /nfs/dbraw/zinc/37/06/88/371370688.db2.gz LBPCMYOCIPZBEV-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCCC1(C(=O)N2CCc3nc[nH]c3C2)CCC1 ZINC000627369445 371589046 /nfs/dbraw/zinc/58/90/46/371589046.db2.gz TUBCFAOTTDSVHN-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN C[C@H]1CCCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627373263 371592989 /nfs/dbraw/zinc/59/29/89/371592989.db2.gz MELSYANKAOYIFV-QWRGUYRKSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccn[nH]1 ZINC000134134211 372165610 /nfs/dbraw/zinc/16/56/10/372165610.db2.gz WFDVGHJJBKBRNE-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1cc(CN[C@H](C)[C@H]2CC2(F)F)on1 ZINC000631163730 372213549 /nfs/dbraw/zinc/21/35/49/372213549.db2.gz OLVHKFOAWYKTLV-VXNVDRBHSA-N 0 1 216.231 2.116 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@H]2CC2(F)F)on1 ZINC000631163729 372213781 /nfs/dbraw/zinc/21/37/81/372213781.db2.gz OLVHKFOAWYKTLV-IONNQARKSA-N 0 1 216.231 2.116 20 0 BEADMN C[C@@H](CF)NCc1ccc(C(F)F)nc1 ZINC000631136853 372206662 /nfs/dbraw/zinc/20/66/62/372206662.db2.gz RFVQWMPVQQFNPE-ZETCQYMHSA-N 0 1 218.222 2.467 20 0 BEADMN Cc1cccc(-c2nc(=NCCF)s[nH]2)c1 ZINC000631262774 372254790 /nfs/dbraw/zinc/25/47/90/372254790.db2.gz UGOFCRMNEDQUTI-UHFFFAOYSA-N 0 1 237.303 2.317 20 0 BEADMN COc1ccc2c(c1)CC[C@H]2NCCF ZINC000631626478 372468193 /nfs/dbraw/zinc/46/81/93/372468193.db2.gz YKOBHUGHKBQUDK-GFCCVEGCSA-N 0 1 209.264 2.242 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2C[C@@H](CO)C2)c(C)s1 ZINC000631671199 372497526 /nfs/dbraw/zinc/49/75/26/372497526.db2.gz VUBYGKUKCLCYKB-ONOSFVFSSA-N 0 1 240.372 2.181 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)[C@@H](O)C(F)(F)F ZINC000631720557 372521907 /nfs/dbraw/zinc/52/19/07/372521907.db2.gz SWIQHRDIYGBSDI-QXFUBDJGSA-N 0 1 248.248 2.044 20 0 BEADMN c1cc([C@H]2CCCN(CC3=NOCC3)C2)ccn1 ZINC001643004154 1172426950 /nfs/dbraw/zinc/42/69/50/1172426950.db2.gz GAVIZRFBMBMQKQ-ZDUSSCGKSA-N 0 1 245.326 2.037 20 0 BEADMN CN(CC1CCC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000171882304 372810629 /nfs/dbraw/zinc/81/06/29/372810629.db2.gz BFOWRQWYMCIPFE-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN O=C(C[C@H]1C=CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268913002 182024626 /nfs/dbraw/zinc/02/46/26/182024626.db2.gz BGPRKMVWNPAKHR-JQWIXIFHSA-N 0 1 245.326 2.260 20 0 BEADMN O=C(C[S@](=O)Cc1ccccc1)c1ccc[nH]1 ZINC000107939150 182032520 /nfs/dbraw/zinc/03/25/20/182032520.db2.gz UBBFXXWCEDVGRJ-KRWDZBQOSA-N 0 1 247.319 2.146 20 0 BEADMN O=[S@@](C=C(O)c1ccc[nH]1)Cc1ccccc1 ZINC000107939150 182032524 /nfs/dbraw/zinc/03/25/24/182032524.db2.gz UBBFXXWCEDVGRJ-KRWDZBQOSA-N 0 1 247.319 2.146 20 0 BEADMN C[C@H]1CSCCN1Cc1cccnc1 ZINC000172435570 372973474 /nfs/dbraw/zinc/97/34/74/372973474.db2.gz JOAMWPHFSFLYJW-JTQLQIEISA-N 0 1 208.330 2.019 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCC[C@H]1C1CCCC1 ZINC000175593872 182053010 /nfs/dbraw/zinc/05/30/10/182053010.db2.gz HVERPWWLNNCEMA-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN Cc1ncc(CN2CCSC[C@H]2C)s1 ZINC000172593078 373022653 /nfs/dbraw/zinc/02/26/53/373022653.db2.gz PDBWSGXOZYWPKE-MRVPVSSYSA-N 0 1 228.386 2.389 20 0 BEADMN Cc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)oc1C ZINC000172956326 373110586 /nfs/dbraw/zinc/11/05/86/373110586.db2.gz ILBDWLKWIYHBJK-PHIMTYICSA-N 0 1 220.316 2.379 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000380373387 373236197 /nfs/dbraw/zinc/23/61/97/373236197.db2.gz YBYGNKOJCZSPEF-DTORHVGOSA-N 0 1 237.686 2.138 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H]2C(F)F)n[nH]1 ZINC000633231863 373377100 /nfs/dbraw/zinc/37/71/00/373377100.db2.gz VINDLZOIJFADGJ-SECBINFHSA-N 0 1 243.257 2.013 20 0 BEADMN O=C(NC1CCC1)c1ccc(O)c(Cl)c1 ZINC000052211998 182106908 /nfs/dbraw/zinc/10/69/08/182106908.db2.gz KGQQKBDEMOMIJT-UHFFFAOYSA-N 0 1 225.675 2.328 20 0 BEADMN O=C(NCC1CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000268137154 182144988 /nfs/dbraw/zinc/14/49/88/182144988.db2.gz HFZFZFLHHZDDSN-LLVKDONJSA-N 0 1 247.342 2.136 20 0 BEADMN CCOCCN1CCc2ccc(OCC)cc2C1 ZINC000058410916 1172447980 /nfs/dbraw/zinc/44/79/80/1172447980.db2.gz PEEOOFBKDOKMJF-UHFFFAOYSA-N 0 1 249.354 2.480 20 0 BEADMN O=C(NCCN1CC=CCC1)C1=CCCCCC1 ZINC000280217407 182182869 /nfs/dbraw/zinc/18/28/69/182182869.db2.gz LBKQFNILQPYZOB-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N(C1CC1)C1CC1 ZINC000142665254 373802327 /nfs/dbraw/zinc/80/23/27/373802327.db2.gz QRDDUAVXNPQCEV-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN CC[C@H](C(=O)Nc1ccsc1C)N(C)C ZINC000634216049 374029208 /nfs/dbraw/zinc/02/92/08/374029208.db2.gz MRMGFFIILRXQJI-SNVBAGLBSA-N 0 1 226.345 2.335 20 0 BEADMN Cc1nnc([C@H](C)N2CCC(C)(C)C2)o1 ZINC000174256359 374167606 /nfs/dbraw/zinc/16/76/06/374167606.db2.gz VLOYTXYZZIYGKL-QMMMGPOBSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000634369758 374217996 /nfs/dbraw/zinc/21/79/96/374217996.db2.gz HUHVNVRNSVZIBW-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)C ZINC000634343255 374187943 /nfs/dbraw/zinc/18/79/43/374187943.db2.gz XUORARZDLVXFCQ-NEPJUHHUSA-N 0 1 234.343 2.122 20 0 BEADMN COc1ccnc(CN[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000424192735 206035411 /nfs/dbraw/zinc/03/54/11/206035411.db2.gz SOGWFXPPGFIMRY-GDNZZTSVSA-N 0 1 249.358 2.400 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1ccc(F)cc1O ZINC000179006186 182291719 /nfs/dbraw/zinc/29/17/19/182291719.db2.gz NIZHSKHILAIQFJ-SNVBAGLBSA-N 0 1 235.258 2.370 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CC2(C)C)cn1 ZINC000426559219 206053055 /nfs/dbraw/zinc/05/30/55/206053055.db2.gz LPFCTVRUIIOFIN-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN CCc1nocc1CN1CC[C@H]1C1CC1 ZINC000449425566 206098367 /nfs/dbraw/zinc/09/83/67/206098367.db2.gz HUCGUHWTPKAXRD-LBPRGKRZSA-N 0 1 206.289 2.221 20 0 BEADMN CC[C@H](CSC)NCc1cc(COC)on1 ZINC000459465529 206129158 /nfs/dbraw/zinc/12/91/58/206129158.db2.gz NVWYQNWHPREESY-SECBINFHSA-N 0 1 244.360 2.052 20 0 BEADMN CC[C@@H](CSC)NCc1cc(COC)on1 ZINC000459465530 206129490 /nfs/dbraw/zinc/12/94/90/206129490.db2.gz NVWYQNWHPREESY-VIFPVBQESA-N 0 1 244.360 2.052 20 0 BEADMN O=C(Nc1ccc(F)cc1)[C@H]1CCCN1C1CC1 ZINC000279716049 182356550 /nfs/dbraw/zinc/35/65/50/182356550.db2.gz LOFWWFMOBQZKFN-CYBMUJFWSA-N 0 1 248.301 2.391 20 0 BEADMN FC(F)CN[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000459540979 206132818 /nfs/dbraw/zinc/13/28/18/206132818.db2.gz FBLIQJAKJZYYGD-HBNTYKKESA-N 0 1 233.302 2.436 20 0 BEADMN CCOC(=O)C1(C)CCC(NCC(F)F)CC1 ZINC000459542346 206134304 /nfs/dbraw/zinc/13/43/04/206134304.db2.gz HRWDZBUFSQFIFG-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN Cc1cc(CNCC(C)(C)c2ccccn2)no1 ZINC000459577913 206135236 /nfs/dbraw/zinc/13/52/36/206135236.db2.gz WTUIGSVLUNTOTI-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN COc1ccc(C)cc1CN1CC(C(C)(C)O)C1 ZINC000459606527 206135664 /nfs/dbraw/zinc/13/56/64/206135664.db2.gz CCRZIPNQGIBXHF-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCS1 ZINC000266551048 182366657 /nfs/dbraw/zinc/36/66/57/182366657.db2.gz LBLIHMUGGJSLTK-LLVKDONJSA-N 0 1 247.323 2.397 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccoc1 ZINC000336366888 182399884 /nfs/dbraw/zinc/39/98/84/182399884.db2.gz XEKMDBPTXBUMAF-UHFFFAOYSA-N 0 1 245.160 2.274 20 0 BEADMN OC1(C(F)F)CCN(Cc2cccs2)CC1 ZINC000336456671 183015982 /nfs/dbraw/zinc/01/59/82/183015982.db2.gz AIWSWPSTVLGTCA-UHFFFAOYSA-N 0 1 247.310 2.340 20 0 BEADMN CCCC[C@@H](COC)NCc1cc(C)no1 ZINC000125619508 168964851 /nfs/dbraw/zinc/96/48/51/168964851.db2.gz WDSPSMHTJSEYSI-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN OCC1(NCc2cccc(O)c2Cl)CCC1 ZINC000293401936 183038768 /nfs/dbraw/zinc/03/87/68/183038768.db2.gz YEIQXXGROQCYNJ-UHFFFAOYSA-N 0 1 241.718 2.050 20 0 BEADMN [O-]c1cccc(C[NH2+]C2(CO)CCC2)c1Cl ZINC000293401936 183038771 /nfs/dbraw/zinc/03/87/71/183038771.db2.gz YEIQXXGROQCYNJ-UHFFFAOYSA-N 0 1 241.718 2.050 20 0 BEADMN OCCCCN1CCC[C@@H]1c1nccs1 ZINC000377531541 183051102 /nfs/dbraw/zinc/05/11/02/183051102.db2.gz KNXUAVJLYWYSAU-SNVBAGLBSA-N 0 1 226.345 2.053 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cccc(F)c1F ZINC000310248544 183092235 /nfs/dbraw/zinc/09/22/35/183092235.db2.gz VQZGOWZZXDCKPT-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@H](NCCCCF)c1c(F)cccc1F ZINC000285485512 183139898 /nfs/dbraw/zinc/13/98/98/183139898.db2.gz DAUAZONOMZWZQL-NSHDSACASA-N 0 1 247.260 2.338 20 0 BEADMN OC[C@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000062998912 183141413 /nfs/dbraw/zinc/14/14/13/183141413.db2.gz YQASXYFQXFBCJV-HNNXBMFYSA-N 0 1 243.306 2.215 20 0 BEADMN OC[C@@H]1CN(Cc2cccs2)CCC1(F)F ZINC000291295138 183127509 /nfs/dbraw/zinc/12/75/09/183127509.db2.gz QAFXMQIUTFWBJQ-VIFPVBQESA-N 0 1 247.310 2.198 20 0 BEADMN OC[C@H]1C=C[C@@H](NCc2sccc2Cl)C1 ZINC000193153949 183146147 /nfs/dbraw/zinc/14/61/47/183146147.db2.gz GZJFNVDBCUTQRT-DTWKUNHWSA-N 0 1 243.759 2.428 20 0 BEADMN OC[C@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000093175487 183153295 /nfs/dbraw/zinc/15/32/95/183153295.db2.gz GKWNBIXZUTVOLM-VIFPVBQESA-N 0 1 243.709 2.293 20 0 BEADMN CCCN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000171557077 169045873 /nfs/dbraw/zinc/04/58/73/169045873.db2.gz FLAHIUNRMYBWOF-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN O[C@@H](CN[C@@H]1CCCc2occc21)C(F)(F)F ZINC000219258164 183179880 /nfs/dbraw/zinc/17/98/80/183179880.db2.gz FYLHNZVDWYIRQO-SCZZXKLOSA-N 0 1 249.232 2.170 20 0 BEADMN CCCN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000263818834 169059167 /nfs/dbraw/zinc/05/91/67/169059167.db2.gz POASEXZUJLUWOK-UHFFFAOYSA-N 0 1 231.299 2.353 20 0 BEADMN CCCN(C)C(=O)c1ccc(F)cc1O ZINC000123559399 169061090 /nfs/dbraw/zinc/06/10/90/169061090.db2.gz XMSPTTLZMAHZPI-UHFFFAOYSA-N 0 1 211.236 2.013 20 0 BEADMN CCCN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283587230 169063099 /nfs/dbraw/zinc/06/30/99/169063099.db2.gz XAGALVXCOZUQKA-UHFFFAOYSA-N 0 1 231.299 2.353 20 0 BEADMN CCCN(C)C(=O)c1cccc2[nH]cnc21 ZINC000159231138 169063294 /nfs/dbraw/zinc/06/32/94/169063294.db2.gz BTLMCWLBNIDMPW-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN O[C@@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000293161084 183194275 /nfs/dbraw/zinc/19/42/75/183194275.db2.gz OSGDIMKXTQKELX-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@H](CCNCc1cscn1)c1ccccc1 ZINC000289481605 183218866 /nfs/dbraw/zinc/21/88/66/183218866.db2.gz QOOOJUGLLZPJST-CYBMUJFWSA-N 0 1 248.351 2.356 20 0 BEADMN CCCN(C)Cc1cnc([C@@H](C)O)s1 ZINC000289122897 169080360 /nfs/dbraw/zinc/08/03/60/169080360.db2.gz NVUNRELNPVCPCF-MRVPVSSYSA-N 0 1 214.334 2.038 20 0 BEADMN CCCN(C)Cc1cnc(C2OCCO2)s1 ZINC000289089700 169080640 /nfs/dbraw/zinc/08/06/40/169080640.db2.gz LFZBPYLVNRWSMT-UHFFFAOYSA-N 0 1 242.344 2.030 20 0 BEADMN CCCN([C@@H](CC)C(=O)OCC)C1CC1 ZINC000082760988 169089295 /nfs/dbraw/zinc/08/92/95/169089295.db2.gz YTNGITYBCITMHJ-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CCCN(CC(=O)NC)Cc1cccc(C)c1C ZINC000092381660 169093972 /nfs/dbraw/zinc/09/39/72/169093972.db2.gz QOIRWDLRBARFRX-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(F)c1 ZINC000038021718 169099400 /nfs/dbraw/zinc/09/94/00/169099400.db2.gz XRVXVTOHCWLOST-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CCCN(CC(N)=O)Cc1cccc(Cl)c1 ZINC000339707854 169109791 /nfs/dbraw/zinc/10/97/91/169109791.db2.gz PTYHGDCISUNOAU-UHFFFAOYSA-N 0 1 240.734 2.037 20 0 BEADMN O[C@H]1CCN(Cc2nccs2)C12CCCC2 ZINC000292902338 183239368 /nfs/dbraw/zinc/23/93/68/183239368.db2.gz ZQWVXVFBFDIGKI-JTQLQIEISA-N 0 1 238.356 2.023 20 0 BEADMN CCCN(CC)C(=O)c1cc(C(C)C)[nH]n1 ZINC000298706166 169117342 /nfs/dbraw/zinc/11/73/42/169117342.db2.gz GFQQGOLYHYUWAN-UHFFFAOYSA-N 0 1 223.320 2.405 20 0 BEADMN CCCN(CC)CC(=O)Nc1cccc(F)c1 ZINC000299392800 169120344 /nfs/dbraw/zinc/12/03/44/169120344.db2.gz RURGKPKZWGDECC-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN O[C@H]1C[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC000294754430 183247792 /nfs/dbraw/zinc/24/77/92/183247792.db2.gz DMWVSDDPYBHHHI-AOOOYVTPSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000290186624 183235378 /nfs/dbraw/zinc/23/53/78/183235378.db2.gz ZQTSZMPLYZNHLM-ZDUSSCGKSA-N 0 1 247.338 2.185 20 0 BEADMN Oc1ccc(CCNCc2cscn2)cc1 ZINC000040736513 183268443 /nfs/dbraw/zinc/26/84/43/183268443.db2.gz UALPTXKXLZUEJM-UHFFFAOYSA-N 0 1 234.324 2.181 20 0 BEADMN Oc1ccc(CNCc2ccccn2)cc1 ZINC000019956921 183271069 /nfs/dbraw/zinc/27/10/69/183271069.db2.gz IDXAZUHTPHDWHN-UHFFFAOYSA-N 0 1 214.268 2.077 20 0 BEADMN CCCN(CCC)C(=O)CN(CC)C1CC1 ZINC000355248746 169142088 /nfs/dbraw/zinc/14/20/88/169142088.db2.gz BSJBTTNJNLCTSW-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CCCN(Cc1c[nH]nn1)Cc1ccc(F)cc1 ZINC000298126595 169175041 /nfs/dbraw/zinc/17/50/41/169175041.db2.gz NFVOMEDYEUGJEP-UHFFFAOYSA-N 0 1 248.305 2.356 20 0 BEADMN CCCN(CCCSC)[C@@H](C)C(=O)OCC ZINC000340203280 169156460 /nfs/dbraw/zinc/15/64/60/169156460.db2.gz QQIKHGRAIUOFQU-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN [O-]c1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1Cl ZINC000293719285 183291023 /nfs/dbraw/zinc/29/10/23/183291023.db2.gz YJCQRJGBWWMUFG-UWVGGRQHSA-N 0 1 241.718 2.049 20 0 BEADMN CCCN(CCO)c1ccnc(C)c1Cl ZINC000336671821 169169355 /nfs/dbraw/zinc/16/93/55/169169355.db2.gz GFWDRFBQOLBJDQ-UHFFFAOYSA-N 0 1 228.723 2.252 20 0 BEADMN Oc1cncc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000104411217 183304518 /nfs/dbraw/zinc/30/45/18/183304518.db2.gz XBYBMAJUFYODTI-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCN(Cc1nc(C)cs1)CC(C)(C)O ZINC000267993765 169180537 /nfs/dbraw/zinc/18/05/37/169180537.db2.gz BBRQGCOVPDVBEJ-UHFFFAOYSA-N 0 1 242.388 2.434 20 0 BEADMN c1c[nH]c(CNC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000359803271 183326019 /nfs/dbraw/zinc/32/60/19/183326019.db2.gz PXZVRJQXJWHUMY-GFCCVEGCSA-N 0 1 249.358 2.381 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cnccc1C ZINC000355013417 169196672 /nfs/dbraw/zinc/19/66/72/169196672.db2.gz POUSPUMRKOUGEJ-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN O=c1nc(Cc2cncs2)[nH]c2ccsc21 ZINC000358826451 183308242 /nfs/dbraw/zinc/30/82/42/183308242.db2.gz GKHMKWAJXVZOBA-UHFFFAOYSA-N 0 1 249.320 2.444 20 0 BEADMN c1cc(CN2CCC([C@@H]3CCCO3)CC2)on1 ZINC000336403925 183340942 /nfs/dbraw/zinc/34/09/42/183340942.db2.gz CYOJFZUQVQUAKE-ZDUSSCGKSA-N 0 1 236.315 2.066 20 0 BEADMN c1cc(CNC[C@@H]2CCC3(CCCCC3)O2)n[nH]1 ZINC000359812678 183349501 /nfs/dbraw/zinc/34/95/01/183349501.db2.gz WSSGWLHRQATFPJ-ZDUSSCGKSA-N 0 1 249.358 2.381 20 0 BEADMN c1cc2c(c(CNCc3ccncc3)c1)OCO2 ZINC000036168135 183351603 /nfs/dbraw/zinc/35/16/03/183351603.db2.gz QHSBWVBDZXRSLU-UHFFFAOYSA-N 0 1 242.278 2.100 20 0 BEADMN c1cc([C@@H]2CCCN2C[C@@H]2CCCCO2)n[nH]1 ZINC000336629062 183359475 /nfs/dbraw/zinc/35/94/75/183359475.db2.gz AQKQPWVEKIVAEL-AAEUAGOBSA-N 0 1 235.331 2.116 20 0 BEADMN CCCNC(=O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000127691363 169217922 /nfs/dbraw/zinc/21/79/22/169217922.db2.gz HUQJSDVNHNSNLF-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN c1ccc(-c2noc(CNCC3CC3)n2)cc1 ZINC000036884547 183384775 /nfs/dbraw/zinc/38/47/75/183384775.db2.gz JOPHMEYWWCLGBI-UHFFFAOYSA-N 0 1 229.283 2.236 20 0 BEADMN c1nc(CN[C@H]2CCOC2)c(-c2ccccc2)o1 ZINC000370558498 183385352 /nfs/dbraw/zinc/38/53/52/183385352.db2.gz PPRSUOPFBJPYMT-LBPRGKRZSA-N 0 1 244.294 2.220 20 0 BEADMN c1cc([C@@H]2CCCN2CC2OCCO2)cs1 ZINC000272057106 183361263 /nfs/dbraw/zinc/36/12/63/183361263.db2.gz IDLDPDLKUFZPKW-NSHDSACASA-N 0 1 239.340 2.258 20 0 BEADMN c1cc(CN2CCC[C@H](c3ccncc3)C2)n[nH]1 ZINC000296001393 183362002 /nfs/dbraw/zinc/36/20/02/183362002.db2.gz PVBNUDDCJNMYII-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN c1cc([C@@H]2CCCN2CCc2ccccn2)n[nH]1 ZINC000298624135 183391474 /nfs/dbraw/zinc/39/14/74/183391474.db2.gz VFAGGWFOYQFMKC-AWEZNQCLSA-N 0 1 242.326 2.184 20 0 BEADMN c1ccc(CCN(C2CC2)C2COC2)cc1 ZINC000296027810 183391765 /nfs/dbraw/zinc/39/17/65/183391765.db2.gz MXCPKNKORPNUNA-UHFFFAOYSA-N 0 1 217.312 2.092 20 0 BEADMN c1ccc(CCN2CCO[C@@H](C3CC3)C2)cc1 ZINC000363775797 183394178 /nfs/dbraw/zinc/39/41/78/183394178.db2.gz RJMKMKCXWHXKFG-OAHLLOKOSA-N 0 1 231.339 2.340 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CCC2(CCC2)C1 ZINC000122906960 169299722 /nfs/dbraw/zinc/29/97/22/169299722.db2.gz GTBAFAZLOVQFKI-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000122906960 169299724 /nfs/dbraw/zinc/29/97/24/169299724.db2.gz GTBAFAZLOVQFKI-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cc(C)n(C)n1 ZINC000336649527 169365652 /nfs/dbraw/zinc/36/56/52/169365652.db2.gz RIFFVBHPUDORSL-SNVBAGLBSA-N 0 1 209.337 2.349 20 0 BEADMN CCC[C@@H](C)NCc1ncnn1C(C)(C)C ZINC000309690214 169370920 /nfs/dbraw/zinc/37/09/20/169370920.db2.gz IXUUZMULZIWZDE-SNVBAGLBSA-N 0 1 224.352 2.311 20 0 BEADMN CCC[C@@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000337465991 169367851 /nfs/dbraw/zinc/36/78/51/169367851.db2.gz MMVUPZOKLVDMEH-PUHVVEEASA-N 0 1 217.378 2.016 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000019472192 169368587 /nfs/dbraw/zinc/36/85/87/169368587.db2.gz UZXBVHGKIYGAJQ-BXUZGUMPSA-N 0 1 246.354 2.006 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C2CCC2)CC1 ZINC000354362772 169349656 /nfs/dbraw/zinc/34/96/56/169349656.db2.gz ZETVTVKRUSUWFV-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268997901 169352468 /nfs/dbraw/zinc/35/24/68/169352468.db2.gz QDKJYYORYSYIFY-KOLCDFICSA-N 0 1 235.331 2.340 20 0 BEADMN CCC[C@@H](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358707740 169355328 /nfs/dbraw/zinc/35/53/28/169355328.db2.gz MECARAHZHJHJTD-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(CC)C[C@@H]1C ZINC000341837994 169355376 /nfs/dbraw/zinc/35/53/76/169355376.db2.gz GYXNHMSKGYCTCR-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)CN(CC)Cc1cn(C)nn1 ZINC000359297137 169357334 /nfs/dbraw/zinc/35/73/34/169357334.db2.gz JJNPKHSFROKZHZ-LLVKDONJSA-N 0 1 224.352 2.073 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251250568 169358428 /nfs/dbraw/zinc/35/84/28/169358428.db2.gz BPOOVIFNIAVNRQ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@@H](CCO)CN[C@@H](C)c1cc(C)on1 ZINC000340491914 169382900 /nfs/dbraw/zinc/38/29/00/169382900.db2.gz TUKBVMGYWTXKHB-RYUDHWBXSA-N 0 1 240.347 2.432 20 0 BEADMN CCC[C@@H](CNCc1cc(F)ncc1F)OC ZINC000295148181 169385047 /nfs/dbraw/zinc/38/50/47/169385047.db2.gz QTTANIOALMVEKY-JTQLQIEISA-N 0 1 244.285 2.265 20 0 BEADMN C[C@@H]1CCC[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000179359572 134316789 /nfs/dbraw/zinc/31/67/89/134316789.db2.gz JOPSJYNUIQJZES-GHMZBOCLSA-N 0 1 222.336 2.063 20 0 BEADMN CCCN(C)[C@H](CC(C)C)C(=O)OCC ZINC000182098806 134338983 /nfs/dbraw/zinc/33/89/83/134338983.db2.gz CLBROEOLUQTIFT-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)=CCCN1CCN(Cc2ccno2)CC1 ZINC001644304937 1172542653 /nfs/dbraw/zinc/54/26/53/1172542653.db2.gz CIHBKVFDUWNZOC-UHFFFAOYSA-N 0 1 249.358 2.149 20 0 BEADMN CCOc1ccc2c(c1)C[N@@H+]([C@H](C)[C@@H](C)O)CC2 ZINC001644423275 1172558175 /nfs/dbraw/zinc/55/81/75/1172558175.db2.gz QNUZIGVOPISSCA-VXGBXAGGSA-N 0 1 249.354 2.213 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000226914698 169480654 /nfs/dbraw/zinc/48/06/54/169480654.db2.gz VTVCLBMFQDYCPU-JQWIXIFHSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(NC(=O)c2cccc(F)c2O)no1 ZINC000059721917 1172568056 /nfs/dbraw/zinc/56/80/56/1172568056.db2.gz KGWWOZWJIHESIY-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN CCC[C@](C)(O)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000345366064 169554540 /nfs/dbraw/zinc/55/45/40/169554540.db2.gz YTACMDXABMFXGY-MDZLAQPJSA-N 0 1 237.347 2.030 20 0 BEADMN CC(C)(C)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000194268893 259617404 /nfs/dbraw/zinc/61/74/04/259617404.db2.gz AGXAMBBEELCVLU-UHFFFAOYSA-N 0 1 249.289 2.478 20 0 BEADMN O[C@@H]1CCC[C@H]1CNCc1ncc(Cl)s1 ZINC000225359663 134354831 /nfs/dbraw/zinc/35/48/31/134354831.db2.gz ILXMKFQPRWERHN-JGVFFNPUSA-N 0 1 246.763 2.047 20 0 BEADMN Cc1[nH]ncc1C(=O)N1C[C@H](C)c2ccccc21 ZINC000194757482 259627093 /nfs/dbraw/zinc/62/70/93/259627093.db2.gz DBOWVUNYANWMAX-VIFPVBQESA-N 0 1 241.294 2.482 20 0 BEADMN Cc1cccc([C@@H]2CCCN2CC2=NOCC2)n1 ZINC001644779106 1172606861 /nfs/dbraw/zinc/60/68/61/1172606861.db2.gz VOVYPSINXWULNW-AWEZNQCLSA-N 0 1 245.326 2.303 20 0 BEADMN CCC[C@H](C)CCCN1C[C@H](CO)OC[C@@H]1C ZINC001644897530 1172618737 /nfs/dbraw/zinc/61/87/37/1172618737.db2.gz QJALMPVMAYDJDU-MELADBBJSA-N 0 1 243.391 2.284 20 0 BEADMN CO[C@@H]1C[C@H](NCc2cscn2)C12CCC2 ZINC000308338519 532964340 /nfs/dbraw/zinc/96/43/40/532964340.db2.gz GDRLTOQGICMHPU-WDEREUQCSA-N 0 1 238.356 2.190 20 0 BEADMN O[C@H](CNCc1ccccc1Cl)C(F)F ZINC000226575943 134366689 /nfs/dbraw/zinc/36/66/89/134366689.db2.gz MCZMBUYBICCDSG-SECBINFHSA-N 0 1 235.661 2.056 20 0 BEADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1nccs1 ZINC000227031093 134373922 /nfs/dbraw/zinc/37/39/22/134373922.db2.gz GWYRNIBCJOQLEK-OPRDCNLKSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC2)o1 ZINC000087415962 383836826 /nfs/dbraw/zinc/83/68/26/383836826.db2.gz BDOOGNXWZPANSW-FOGDFJRCSA-N 0 1 221.300 2.282 20 0 BEADMN CC1(C)CC(Cc2nc([C@H]3CCCN3)no2)C1 ZINC000647144907 383839879 /nfs/dbraw/zinc/83/98/79/383839879.db2.gz IZKDQESZYIIGPK-SNVBAGLBSA-N 0 1 235.331 2.473 20 0 BEADMN CCCc1cc(-c2nc([C@@H]3CCCN3)no2)no1 ZINC000647145525 383842580 /nfs/dbraw/zinc/84/25/80/383842580.db2.gz YDYZHLYFEFWSJC-VIFPVBQESA-N 0 1 248.286 2.102 20 0 BEADMN CC(C)C(C)(C)c1nc([C@@H]2CCCN2)no1 ZINC000647146247 383854018 /nfs/dbraw/zinc/85/40/18/383854018.db2.gz QJDKPRPPTDXWIN-VIFPVBQESA-N 0 1 223.320 2.428 20 0 BEADMN Cc1cc(C)cc(CN2CCCC[C@H]2C(N)=O)c1 ZINC000066563354 383871741 /nfs/dbraw/zinc/87/17/41/383871741.db2.gz GLHFCMAJMOPDHC-AWEZNQCLSA-N 0 1 246.354 2.143 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000111659904 383872494 /nfs/dbraw/zinc/87/24/94/383872494.db2.gz JXRULFMCIPAPLB-KGLIPLIRSA-N 0 1 246.354 2.001 20 0 BEADMN CCC(CC)Cc1nc([C@H]2CCCN2)no1 ZINC000647149213 383910400 /nfs/dbraw/zinc/91/04/00/383910400.db2.gz GZEJYPYMHJCYFD-SNVBAGLBSA-N 0 1 223.320 2.473 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)C(F)(F)F ZINC000647149634 383916001 /nfs/dbraw/zinc/91/60/01/383916001.db2.gz OWORABGTXCHDQU-RITPCOANSA-N 0 1 235.209 2.160 20 0 BEADMN C(CC1CCC1)c1nc([C@@H]2CCCN2)no1 ZINC000647149955 383917755 /nfs/dbraw/zinc/91/77/55/383917755.db2.gz WOZOAGQAHCJZHG-JTQLQIEISA-N 0 1 221.304 2.227 20 0 BEADMN Cn1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000560133613 383919416 /nfs/dbraw/zinc/91/94/16/383919416.db2.gz JODNJKGXONZSJV-KBPBESRZSA-N 0 1 231.343 2.041 20 0 BEADMN Cn1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000560133619 383920050 /nfs/dbraw/zinc/92/00/50/383920050.db2.gz JODNJKGXONZSJV-KGLIPLIRSA-N 0 1 231.343 2.041 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)c1cccnc1 ZINC000647150501 383922942 /nfs/dbraw/zinc/92/29/42/383922942.db2.gz HNOKWXSVEFHQKH-GXSJLCMTSA-N 0 1 244.298 2.041 20 0 BEADMN CC[C@@H](O)[C@H](CC)NCc1csc(C)n1 ZINC000313142271 383932705 /nfs/dbraw/zinc/93/27/05/383932705.db2.gz IKKYRBQYIVFSNF-WDEREUQCSA-N 0 1 228.361 2.091 20 0 BEADMN C[C@@H]1CC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000647147521 383882661 /nfs/dbraw/zinc/88/26/61/383882661.db2.gz SWBDEAYHSQAGPY-KXUCPTDWSA-N 0 1 221.304 2.398 20 0 BEADMN Cc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)n[nH]1 ZINC000336442517 383889199 /nfs/dbraw/zinc/88/91/99/383889199.db2.gz KDTZGLATRICDLQ-HZMBPMFUSA-N 0 1 247.342 2.370 20 0 BEADMN C1=CC[C@H](c2nc([C@@H]3CCCN3)no2)CC1 ZINC000647148169 383892811 /nfs/dbraw/zinc/89/28/11/383892811.db2.gz ILELJGBSMCSCOL-UWVGGRQHSA-N 0 1 219.288 2.318 20 0 BEADMN Fc1ccc(OCCCNCc2ncc[nH]2)cc1 ZINC000067694612 383935735 /nfs/dbraw/zinc/93/57/35/383935735.db2.gz VMTUBGKLPLCFJI-UHFFFAOYSA-N 0 1 249.289 2.108 20 0 BEADMN CNC(=O)C[C@@H](C)NCc1ccsc1Cl ZINC000312573558 383899352 /nfs/dbraw/zinc/89/93/52/383899352.db2.gz BVQCYLGZGWOHAI-SSDOTTSWSA-N 0 1 246.763 2.016 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1cccc(C)n1 ZINC000518526244 383981880 /nfs/dbraw/zinc/98/18/80/383981880.db2.gz QFEKMIZYSOGYDG-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CC[C@H](NC[C@H]1CCCOC1)C(F)F ZINC000449364827 383998860 /nfs/dbraw/zinc/99/88/60/383998860.db2.gz UKSZGOSPERCAGT-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@]2(C)CCCO2)c2nccn21 ZINC000345346061 383941922 /nfs/dbraw/zinc/94/19/22/383941922.db2.gz CEDOULBBYOCDAM-NTZNESFSSA-N 0 1 235.331 2.048 20 0 BEADMN CC[C@H]1CN(Cc2ccc(Cl)o2)C[C@@H]1O ZINC000334293391 383946710 /nfs/dbraw/zinc/94/67/10/383946710.db2.gz QBORJAHUKRKUHL-WPRPVWTQSA-N 0 1 229.707 2.136 20 0 BEADMN CC[C@H]1CCCC[C@H]1C[NH2+]Cc1cnn[n-]1 ZINC000401762711 383958065 /nfs/dbraw/zinc/95/80/65/383958065.db2.gz SPXBMEJJQIBSAI-QWRGUYRKSA-N 0 1 222.336 2.111 20 0 BEADMN CC[C@@H](NC[C@@H]1CCCOC1)C(F)F ZINC000449364828 384000846 /nfs/dbraw/zinc/00/08/46/384000846.db2.gz UKSZGOSPERCAGT-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@@H](C)c1nccs1 ZINC000313165432 383975914 /nfs/dbraw/zinc/97/59/14/383975914.db2.gz SNBXTSWSKMRBFC-GUBZILKMSA-N 0 1 228.361 2.343 20 0 BEADMN CC(C)CCOCCN1CCOC[C@@H]1C1CC1 ZINC000090008822 384023101 /nfs/dbraw/zinc/02/31/01/384023101.db2.gz JXJIFQTZBWWBTE-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN CCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114107378 384023292 /nfs/dbraw/zinc/02/32/92/384023292.db2.gz RHYGNLSAVQZTLM-UHFFFAOYSA-N 0 1 230.271 2.210 20 0 BEADMN O=C(C1=CCCC1)N1CCN(C2CCCC2)CC1 ZINC000336492756 384004406 /nfs/dbraw/zinc/00/44/06/384004406.db2.gz DKSAVFQRPFTAJV-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN c1csc(CCc2nc([C@H]3CCCN3)no2)c1 ZINC000647154600 384007701 /nfs/dbraw/zinc/00/77/01/384007701.db2.gz FJMQUQCIDMIHTM-SNVBAGLBSA-N 0 1 249.339 2.341 20 0 BEADMN C(=C/c1cccnc1)\c1nc([C@H]2CCCN2)no1 ZINC000647156643 384043283 /nfs/dbraw/zinc/04/32/83/384043283.db2.gz JZHKMGBSTOXDGR-MVIFTORASA-N 0 1 242.282 2.060 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CC1CCCCC1 ZINC000037990552 384049480 /nfs/dbraw/zinc/04/94/80/384049480.db2.gz WISNWPSNIPYHKF-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2C[C@]2(F)c2ccccc2)CO1 ZINC000647219202 384090264 /nfs/dbraw/zinc/09/02/64/384090264.db2.gz LJILREVZBCVUQV-SAXRGWBVSA-N 0 1 235.302 2.391 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1nc(C)cs1 ZINC000038091126 384070336 /nfs/dbraw/zinc/07/03/36/384070336.db2.gz CNOCELRIBDTLBR-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN CCOC[C@H]1CCC[C@@H]1NC(CF)CF ZINC000449381023 384096259 /nfs/dbraw/zinc/09/62/59/384096259.db2.gz QDANZLGCOVCYOH-KOLCDFICSA-N 0 1 221.291 2.089 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)n[nH]1 ZINC000158688351 384109169 /nfs/dbraw/zinc/10/91/69/384109169.db2.gz DESYZBKJGDWDNG-NXEZZACHSA-N 0 1 235.331 2.226 20 0 BEADMN C[C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000188665978 384112500 /nfs/dbraw/zinc/11/25/00/384112500.db2.gz ICVXLTUVAQVJOD-DTWKUNHWSA-N 0 1 225.254 2.032 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070499523 384113184 /nfs/dbraw/zinc/11/31/84/384113184.db2.gz UNZXMUDCXOFDAZ-SNVBAGLBSA-N 0 1 233.311 2.080 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070733255 384133842 /nfs/dbraw/zinc/13/38/42/384133842.db2.gz BUZJDGNTWJABAY-BBBLOLIVSA-N 0 1 226.345 2.097 20 0 BEADMN c1ccc2c(c1)CN(CCC1OCCCO1)C2 ZINC000091465864 384128197 /nfs/dbraw/zinc/12/81/97/384128197.db2.gz WXURWMHFRDZMMP-UHFFFAOYSA-N 0 1 233.311 2.155 20 0 BEADMN CCO[C@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091836899 384147331 /nfs/dbraw/zinc/14/73/31/384147331.db2.gz UMNVWPQGLQAGSR-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@H](CC(C)(C)O)N[C@@H](C)c1nccs1 ZINC000296481759 384147475 /nfs/dbraw/zinc/14/74/75/384147475.db2.gz OGVLAZOCTIWZJF-BDAKNGLRSA-N 0 1 228.361 2.343 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C3CC3)ccc12 ZINC000091827858 384147981 /nfs/dbraw/zinc/14/79/81/384147981.db2.gz WUMYRALXXKYWOZ-UHFFFAOYSA-N 0 1 215.256 2.220 20 0 BEADMN CCOCCN1CCc2cc(F)ccc2C1 ZINC000091892970 384155622 /nfs/dbraw/zinc/15/56/22/384155622.db2.gz DVTKZTUUMHBRFD-UHFFFAOYSA-N 0 1 223.291 2.220 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1csc(C)n1 ZINC000041010662 384173641 /nfs/dbraw/zinc/17/36/41/384173641.db2.gz IKNRYGSJXQPNLN-NEPJUHHUSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1csc(CNC[C@H]2CCC=CO2)n1 ZINC000050269436 384173761 /nfs/dbraw/zinc/17/37/61/384173761.db2.gz XTLPKXDCXDDHMJ-SNVBAGLBSA-N 0 1 224.329 2.234 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000092064305 384161426 /nfs/dbraw/zinc/16/14/26/384161426.db2.gz LYLHVDSGHNDJLO-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN CS[C@@H]1CCCCN(Cc2cc[nH]n2)C1 ZINC000092064305 384161428 /nfs/dbraw/zinc/16/14/28/384161428.db2.gz LYLHVDSGHNDJLO-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000082551730 384237231 /nfs/dbraw/zinc/23/72/31/384237231.db2.gz WYONUFHXXQJIGU-GFCCVEGCSA-N 0 1 219.284 2.080 20 0 BEADMN CN(Cc1cc(F)cc(F)c1)[C@@H]1CCOC1 ZINC000132021944 384210220 /nfs/dbraw/zinc/21/02/20/384210220.db2.gz UWJFVIBSPBBMQU-GFCCVEGCSA-N 0 1 227.254 2.186 20 0 BEADMN C[C@@H]1CCN(CCOCC2CCC2)C[C@@H]1F ZINC000642700232 384213006 /nfs/dbraw/zinc/21/30/06/384213006.db2.gz KPEWAICROFESDJ-YPMHNXCESA-N 0 1 229.339 2.483 20 0 BEADMN Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250066 384220648 /nfs/dbraw/zinc/22/06/48/384220648.db2.gz POEMZTNLXUBICX-NSHDSACASA-N 0 1 221.300 2.463 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCC(=O)[O-])c(C)c1 ZINC000082344278 384221708 /nfs/dbraw/zinc/22/17/08/384221708.db2.gz KUERTMOSFJXAJR-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN c1cncc(CNCc2cccc3c2NCC3)c1 ZINC000163289260 384221943 /nfs/dbraw/zinc/22/19/43/384221943.db2.gz HSQRFXQSLQVHFZ-UHFFFAOYSA-N 0 1 239.322 2.339 20 0 BEADMN Cn1cncc1CNCc1ccc(Cl)s1 ZINC000082394691 384228842 /nfs/dbraw/zinc/22/88/42/384228842.db2.gz PKDNJVOCVMIOQD-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000133359189 384245249 /nfs/dbraw/zinc/24/52/49/384245249.db2.gz CUUYTYUKGPYOGO-XHNCKOQMSA-N 0 1 214.334 2.217 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1cccs1 ZINC000082602642 384247660 /nfs/dbraw/zinc/24/76/60/384247660.db2.gz BRSILHXRONTCCV-UHFFFAOYSA-N 0 1 227.329 2.087 20 0 BEADMN COC[C@H]1CN(Cc2cccc(C)c2C)CCO1 ZINC000093528632 384248502 /nfs/dbraw/zinc/24/85/02/384248502.db2.gz STCWWMPEPLYCKG-OAHLLOKOSA-N 0 1 249.354 2.151 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1cc[nH]n1 ZINC000093871094 384277197 /nfs/dbraw/zinc/27/71/97/384277197.db2.gz MBRBUFJFCRBCPR-SNVBAGLBSA-N 0 1 227.377 2.373 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)o1 ZINC000119492508 384277582 /nfs/dbraw/zinc/27/75/82/384277582.db2.gz BAHTVNBWICEOFG-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)o1 ZINC000119492508 384277591 /nfs/dbraw/zinc/27/75/91/384277591.db2.gz BAHTVNBWICEOFG-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000132965729 384264496 /nfs/dbraw/zinc/26/44/96/384264496.db2.gz AWERZVPCSCGWDF-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN CC[N@H+](C)CCN[C@H]1CCCOc2ccccc21 ZINC000158802900 384273130 /nfs/dbraw/zinc/27/31/30/384273130.db2.gz SWOQEAAIOJGXMS-AWEZNQCLSA-N 0 1 248.370 2.442 20 0 BEADMN CCCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732522 384303924 /nfs/dbraw/zinc/30/39/24/384303924.db2.gz SGFAGDLMLSWRNF-UHFFFAOYSA-N 0 1 231.299 2.401 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccoc1 ZINC000179614199 384310991 /nfs/dbraw/zinc/31/09/91/384310991.db2.gz RWBRNPNQMZSVAI-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000119974430 384321114 /nfs/dbraw/zinc/32/11/14/384321114.db2.gz HPMHBIJRRBTMLC-SECBINFHSA-N 0 1 230.739 2.145 20 0 BEADMN COC[C@@H](C)N(C)Cc1cc(Cl)cn1C ZINC000119974430 384321118 /nfs/dbraw/zinc/32/11/18/384321118.db2.gz HPMHBIJRRBTMLC-SECBINFHSA-N 0 1 230.739 2.145 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CCC(C(C)C)CC1 ZINC000173859333 384280590 /nfs/dbraw/zinc/28/05/90/384280590.db2.gz LZDHQMDHHNRNMB-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[N@@H+](CC1(CC(=O)[O-])CC1)C1CC1 ZINC000566358935 384292217 /nfs/dbraw/zinc/29/22/17/384292217.db2.gz PGDLJWLHTJNRRA-UHFFFAOYSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H](CCn1cccn1)N[C@@H](C)C(C)(F)F ZINC000449412694 384298869 /nfs/dbraw/zinc/29/88/69/384298869.db2.gz GGRWYTFNJLBWGP-UWVGGRQHSA-N 0 1 231.290 2.295 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000083412412 384300283 /nfs/dbraw/zinc/30/02/83/384300283.db2.gz MZVJREQEINDEBS-LBPRGKRZSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000075712757 384335695 /nfs/dbraw/zinc/33/56/95/384335695.db2.gz JGDWNJLNLYEOSW-SNVBAGLBSA-N 0 1 213.346 2.259 20 0 BEADMN CN(CC(=O)Nc1ccccc1)C1CCC1 ZINC000075842209 384342922 /nfs/dbraw/zinc/34/29/22/384342922.db2.gz JPZUKRSRCVVHAK-UHFFFAOYSA-N 0 1 218.300 2.109 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@@H]2C)oc1C ZINC000335589841 384354505 /nfs/dbraw/zinc/35/45/05/384354505.db2.gz CGQGEWIHYXREBI-XVKPBYJWSA-N 0 1 226.345 2.133 20 0 BEADMN COc1c(O)cccc1CN1CC[C@H]1C1CC1 ZINC000449425189 384324119 /nfs/dbraw/zinc/32/41/19/384324119.db2.gz HEHOJJXDVGFGDX-LBPRGKRZSA-N 0 1 233.311 2.385 20 0 BEADMN C[C@@]1(NCc2ccc(F)cc2F)CCOC1 ZINC000120121629 384328467 /nfs/dbraw/zinc/32/84/67/384328467.db2.gz KPNGLEOYWOCOJK-GFCCVEGCSA-N 0 1 227.254 2.233 20 0 BEADMN C[C@]1(c2nc(C3(N)CCCCC3)no2)C[C@@H]1F ZINC000335619371 384395351 /nfs/dbraw/zinc/39/53/51/384395351.db2.gz WXTAXYDHMAPZPS-KWQFWETISA-N 0 1 239.294 2.187 20 0 BEADMN Cc1nsc(NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403710598 384403904 /nfs/dbraw/zinc/40/39/04/384403904.db2.gz XCOMKOGYACRSJN-KXUCPTDWSA-N 0 1 223.345 2.117 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)c1cccn1C ZINC000035255813 384406752 /nfs/dbraw/zinc/40/67/52/384406752.db2.gz HIZAUFJTIRGYIX-NSHDSACASA-N 0 1 222.332 2.328 20 0 BEADMN COc1ccccc1/C=C\C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000560927948 384415493 /nfs/dbraw/zinc/41/54/93/384415493.db2.gz SWPXIUKSABXNKP-BPOWMSRESA-N 0 1 249.310 2.113 20 0 BEADMN C[S@](=O)c1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449428091 384381164 /nfs/dbraw/zinc/38/11/64/384381164.db2.gz QJDIRNAIIQJNBG-YOEHRIQHSA-N 0 1 249.379 2.408 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C)c(C)s1 ZINC000335608352 384383038 /nfs/dbraw/zinc/38/30/38/384383038.db2.gz KIGHIIYVOOSXLN-SKDRFNHKSA-N 0 1 240.372 2.417 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccoc1 ZINC000556434740 384386255 /nfs/dbraw/zinc/38/62/55/384386255.db2.gz UEQSXPNMGXXVIL-DRZSPHRISA-N 0 1 248.326 2.084 20 0 BEADMN Cc1cnc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000449536410 384388157 /nfs/dbraw/zinc/38/81/57/384388157.db2.gz IMDHYSDWUQXLOR-ZFWWWQNUSA-N 0 1 245.370 2.349 20 0 BEADMN CCN(CC)Cc1cn2cc(C)ccc2n1 ZINC000078491005 384448208 /nfs/dbraw/zinc/44/82/08/384448208.db2.gz MOHZCZJMNCDLMV-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@@H](C)C2(C)CC2)n1 ZINC000122103469 384456253 /nfs/dbraw/zinc/45/62/53/384456253.db2.gz IQWCFPIYIANUKS-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H](C)C2(C)CC2)n1 ZINC000122103469 384456258 /nfs/dbraw/zinc/45/62/58/384456258.db2.gz IQWCFPIYIANUKS-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000122103469 384456266 /nfs/dbraw/zinc/45/62/66/384456266.db2.gz IQWCFPIYIANUKS-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CC/C=C\CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000516932385 384428280 /nfs/dbraw/zinc/42/82/80/384428280.db2.gz MNGUOBTYGDGYPO-BYCRGOAPSA-N 0 1 243.372 2.235 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000082501675 384429805 /nfs/dbraw/zinc/42/98/05/384429805.db2.gz MNCWANVJOUKCLZ-QMMMGPOBSA-N 0 1 225.313 2.431 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000121682918 384433038 /nfs/dbraw/zinc/43/30/38/384433038.db2.gz KVGPACBWXWKCHP-GFCCVEGCSA-N 0 1 241.294 2.039 20 0 BEADMN CCN(CC)CC(=O)Nc1ccsc1 ZINC000135365870 384439340 /nfs/dbraw/zinc/43/93/40/384439340.db2.gz WZSNQNTXVCYMJI-UHFFFAOYSA-N 0 1 212.318 2.028 20 0 BEADMN C[C@H]1C[C@@H](NCc2c(F)cccc2F)CO1 ZINC000335663571 384475167 /nfs/dbraw/zinc/47/51/67/384475167.db2.gz NUQKLRXHLTZGDG-DTWKUNHWSA-N 0 1 227.254 2.232 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000037098644 384477986 /nfs/dbraw/zinc/47/79/86/384477986.db2.gz JDPBDMQMOLCMAC-NSHDSACASA-N 0 1 207.273 2.154 20 0 BEADMN CN(Cc1ccccc1)C1CN(CC2(F)CC2)C1 ZINC000556786805 384480607 /nfs/dbraw/zinc/48/06/07/384480607.db2.gz GOVSXTWQGOXQPV-UHFFFAOYSA-N 0 1 248.345 2.305 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000029516228 384481245 /nfs/dbraw/zinc/48/12/45/384481245.db2.gz HAQQUMGKPOZVBL-PHIMTYICSA-N 0 1 249.358 2.480 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CCC ZINC000096867307 384482003 /nfs/dbraw/zinc/48/20/03/384482003.db2.gz CRUKXXYSDCTEIC-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)[N@@H+](CCO)CCc1c(F)cccc1F ZINC000402105025 384482849 /nfs/dbraw/zinc/48/28/49/384482849.db2.gz UTBHWUYGSIHVII-UHFFFAOYSA-N 0 1 243.297 2.210 20 0 BEADMN CC[C@]1(C)CN(Cc2ccc(CO)cc2)CCO1 ZINC000135678431 384458785 /nfs/dbraw/zinc/45/87/85/384458785.db2.gz LWARTMCMGZGIOD-OAHLLOKOSA-N 0 1 249.354 2.180 20 0 BEADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000018208579 384503758 /nfs/dbraw/zinc/50/37/58/384503758.db2.gz GOWKCWPJRXLPSL-MRVPVSSYSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1nc2ccccc2o1 ZINC000335694841 384487182 /nfs/dbraw/zinc/48/71/82/384487182.db2.gz MAWCAESRIDIYHU-MNOVXSKESA-N 0 1 246.310 2.031 20 0 BEADMN COC(=O)c1coc(CN2CCC3(CCC3)C2)c1 ZINC000123149102 384536651 /nfs/dbraw/zinc/53/66/51/384536651.db2.gz DGYSCSWQKLQIFB-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN C[N@H+]1CCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC000160982390 384516183 /nfs/dbraw/zinc/51/61/83/384516183.db2.gz RGULHKCAVOWEQG-CYBMUJFWSA-N 0 1 240.297 2.149 20 0 BEADMN C[C@@H](O)[C@@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001645145194 1172639286 /nfs/dbraw/zinc/63/92/86/1172639286.db2.gz MEBQPYSKWFGLKK-NXEZZACHSA-N 0 1 239.746 2.467 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000566444565 384519290 /nfs/dbraw/zinc/51/92/90/384519290.db2.gz HXNRVTNMNSBVHW-UTUOFQBUSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@@H]1C[C@H]1C ZINC000085494756 384527879 /nfs/dbraw/zinc/52/78/79/384527879.db2.gz SWCILJVUAZOETN-VWYCJHECSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1cnc(C(C)(C)NCc2cnc[nH]2)s1 ZINC000080346783 384546747 /nfs/dbraw/zinc/54/67/47/384546747.db2.gz PRCQLLGXZIYUBV-UHFFFAOYSA-N 0 1 236.344 2.200 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H](C)C1 ZINC000566452547 384550804 /nfs/dbraw/zinc/55/08/04/384550804.db2.gz ZGRKUFMCTDCYDV-VXGBXAGGSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000183681201 384559792 /nfs/dbraw/zinc/55/97/92/384559792.db2.gz AIGWLGAKGLCTNK-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN CCOC(=O)CN(CC(C)C)CC1(C)CC1 ZINC000559116562 384569221 /nfs/dbraw/zinc/56/92/21/384569221.db2.gz BOZOVEWVUICXDS-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CO1 ZINC000402202029 384569984 /nfs/dbraw/zinc/56/99/84/384569984.db2.gz FAMZXXQEHLVPAT-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H]1C[C@H](NCC(F)(F)CO)CC(C)(C)C1 ZINC000183871135 384577920 /nfs/dbraw/zinc/57/79/20/384577920.db2.gz FYHAXLVBRKOQTM-ZJUUUORDSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H](NCCOC)c1nc(C)cs1 ZINC000053288501 384588081 /nfs/dbraw/zinc/58/80/81/384588081.db2.gz DNWSMUPOJJDLIG-SECBINFHSA-N 0 1 214.334 2.139 20 0 BEADMN Cc1ccnc(NC(=O)c2c[nH]nc2C2CC2)c1 ZINC000184270974 384588443 /nfs/dbraw/zinc/58/84/43/384588443.db2.gz QFRNFCSFDSXOTB-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CCC[C@H](O)CN(C)Cc1ccccc1F ZINC000050193480 384604210 /nfs/dbraw/zinc/60/42/10/384604210.db2.gz OYDIHGPVTCOHKF-LBPRGKRZSA-N 0 1 225.307 2.419 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)c1cccs1 ZINC000050183584 384604315 /nfs/dbraw/zinc/60/43/15/384604315.db2.gz HGPICAISWKGMHM-UHFFFAOYSA-N 0 1 249.339 2.142 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CCC(C)C ZINC000050183481 384605807 /nfs/dbraw/zinc/60/58/07/384605807.db2.gz KIOBZJLJADBSTK-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000050266831 384611387 /nfs/dbraw/zinc/61/13/87/384611387.db2.gz UADKMCPHEDBKHO-YPMHNXCESA-N 0 1 233.311 2.037 20 0 BEADMN CCN(Cc1nccn1CC)CC(C)C ZINC000171647404 384619493 /nfs/dbraw/zinc/61/94/93/384619493.db2.gz JYJBXKFDAITCBT-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN CCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184569681 384620314 /nfs/dbraw/zinc/62/03/14/384620314.db2.gz DFWFQMCTOISLPY-UHFFFAOYSA-N 0 1 222.292 2.201 20 0 BEADMN CCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184569681 384620320 /nfs/dbraw/zinc/62/03/20/384620320.db2.gz DFWFQMCTOISLPY-UHFFFAOYSA-N 0 1 222.292 2.201 20 0 BEADMN c1c[nH]c(CN2CC[C@H](Cc3ccccc3)C2)n1 ZINC000124202007 384623575 /nfs/dbraw/zinc/62/35/75/384623575.db2.gz BZDKXTGZUKHLQO-CQSZACIVSA-N 0 1 241.338 2.474 20 0 BEADMN O=C(C=C1CCC1)Nc1nc(C2CCC2)n[nH]1 ZINC000184645619 384629234 /nfs/dbraw/zinc/62/92/34/384629234.db2.gz WAMHQXLLWUGCKW-UHFFFAOYSA-N 0 1 232.287 2.121 20 0 BEADMN O=C(C=C1CCC1)Nc1n[nH]c(C2CCC2)n1 ZINC000184645619 384629237 /nfs/dbraw/zinc/62/92/37/384629237.db2.gz WAMHQXLLWUGCKW-UHFFFAOYSA-N 0 1 232.287 2.121 20 0 BEADMN CC/C=C\CNCc1cccc(O)c1OC ZINC000449452078 384591439 /nfs/dbraw/zinc/59/14/39/384591439.db2.gz FEIIQFYYIKYVBB-PLNGDYQASA-N 0 1 221.300 2.457 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000517959081 384593313 /nfs/dbraw/zinc/59/33/13/384593313.db2.gz BZDCMVWKTMVAFF-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN c1csc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000162251159 384594927 /nfs/dbraw/zinc/59/49/27/384594927.db2.gz JMZIIWYTHIRYCU-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN c1csc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000162251159 384594936 /nfs/dbraw/zinc/59/49/36/384594936.db2.gz JMZIIWYTHIRYCU-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN Cc1cc(CC(=O)NC2CCCCCC2)[nH]n1 ZINC000082317322 384665329 /nfs/dbraw/zinc/66/53/29/384665329.db2.gz PKDWHQRBYQYCRF-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCN2C)cc1 ZINC000082321231 384665769 /nfs/dbraw/zinc/66/57/69/384665769.db2.gz FHARHSCJEOABQM-GFCCVEGCSA-N 0 1 218.300 2.028 20 0 BEADMN CCc1ccc(NC(=O)[C@H]2CCCN2C)cc1 ZINC000082323282 384669365 /nfs/dbraw/zinc/66/93/65/384669365.db2.gz FDODMRFAQAKXNA-CYBMUJFWSA-N 0 1 232.327 2.282 20 0 BEADMN Cc1cnc(CN2CCC[C@H](CO)CC2)s1 ZINC000293148881 384671095 /nfs/dbraw/zinc/67/10/95/384671095.db2.gz NZANPJSSROKKDN-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](CO)CC2)s1 ZINC000293148877 384672250 /nfs/dbraw/zinc/67/22/50/384672250.db2.gz NZANPJSSROKKDN-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN OC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000048581970 384674509 /nfs/dbraw/zinc/67/45/09/384674509.db2.gz WLWQAJCZFTYUMG-LLVKDONJSA-N 0 1 246.310 2.032 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000041012837 384634745 /nfs/dbraw/zinc/63/47/45/384634745.db2.gz IGUHGNPXQQYSAS-UWVGGRQHSA-N 0 1 226.345 2.190 20 0 BEADMN Cn1nccc1CNCc1cc(Cl)cs1 ZINC000086332821 384638857 /nfs/dbraw/zinc/63/88/57/384638857.db2.gz CGORPEXJJVGOKF-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CC/C=C/CCN1CCC[C@@H]1c1nncn1C ZINC000184706698 384639492 /nfs/dbraw/zinc/63/94/92/384639492.db2.gz BFUVYGMPJQVRCR-ZYOFXKKJSA-N 0 1 234.347 2.308 20 0 BEADMN Cc1nc(C(C)C)oc1CN(CCO)C1CC1 ZINC000428467377 384648421 /nfs/dbraw/zinc/64/84/21/384648421.db2.gz YJULJEPLSVSREP-UHFFFAOYSA-N 0 1 238.331 2.063 20 0 BEADMN CC(C)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594006 384649859 /nfs/dbraw/zinc/64/98/59/384649859.db2.gz KFVVKSMULZYQAS-CYBMUJFWSA-N 0 1 233.311 2.326 20 0 BEADMN CCc1ccc([C@H](COC)NC[C@H](C)OC)o1 ZINC000184823035 384653165 /nfs/dbraw/zinc/65/31/65/384653165.db2.gz RNAISYUDWHQLMX-JQWIXIFHSA-N 0 1 241.331 2.154 20 0 BEADMN CCc1ccc([C@@H](COC)NC[C@H](C)OC)o1 ZINC000184823020 384653994 /nfs/dbraw/zinc/65/39/94/384653994.db2.gz RNAISYUDWHQLMX-CMPLNLGQSA-N 0 1 241.331 2.154 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2ccc(C)cc2)c1C ZINC000082305751 384662011 /nfs/dbraw/zinc/66/20/11/384662011.db2.gz AZQFAILLFGODCQ-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CN(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000102675640 384723561 /nfs/dbraw/zinc/72/35/61/384723561.db2.gz JJERQLCXKRVNIA-NSHDSACASA-N 0 1 211.330 2.359 20 0 BEADMN c1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)on1 ZINC000277065368 384723594 /nfs/dbraw/zinc/72/35/94/384723594.db2.gz NTIULBXJYUXSOY-KGLIPLIRSA-N 0 1 244.294 2.294 20 0 BEADMN C[C@@H]1CN(Cc2cnc(N)s2)C[C@H](C)S1 ZINC000086766298 384681597 /nfs/dbraw/zinc/68/15/97/384681597.db2.gz SUADXRMWSHCNMS-OCAPTIKFSA-N 0 1 243.401 2.051 20 0 BEADMN CCCCC1=NN(CCOC(C)C)C(=O)[C@@H]1C ZINC000634620310 384682772 /nfs/dbraw/zinc/68/27/72/384682772.db2.gz ZMFCYQPYYHGKQG-LLVKDONJSA-N 0 1 240.347 2.436 20 0 BEADMN CCCCc1[nH]n(CCOC(C)C)c(=O)c1C ZINC000634620310 384682776 /nfs/dbraw/zinc/68/27/76/384682776.db2.gz ZMFCYQPYYHGKQG-LLVKDONJSA-N 0 1 240.347 2.436 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 ZINC000124905872 384683039 /nfs/dbraw/zinc/68/30/39/384683039.db2.gz JLGVCHVIQUITCR-FOGDFJRCSA-N 0 1 233.315 2.203 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CC2CCC1CC2 ZINC000335917657 384684365 /nfs/dbraw/zinc/68/43/65/384684365.db2.gz VPZGYIMGWTXDNN-XIVSLSHWSA-N 0 1 247.342 2.161 20 0 BEADMN CCCc1csc(CNC[C@H]2CCCO2)n1 ZINC000309890601 384687827 /nfs/dbraw/zinc/68/78/27/384687827.db2.gz CHZPWUZBBCUACJ-LLVKDONJSA-N 0 1 240.372 2.364 20 0 BEADMN COCc1nc(CN[C@@H]2C[C@@H](C)[C@H]2C)cs1 ZINC000309892285 384694394 /nfs/dbraw/zinc/69/43/94/384694394.db2.gz DBDQYNLWKHEAAR-FXPVBKGRSA-N 0 1 240.372 2.424 20 0 BEADMN CCC[C@@H](CC)Nc1ncnc2[nH]cnc21 ZINC000050164816 384694937 /nfs/dbraw/zinc/69/49/37/384694937.db2.gz LVGGYLDJFHNVSI-MRVPVSSYSA-N 0 1 219.292 2.344 20 0 BEADMN CCCc1csc(CN[C@H]2CCO[C@H]2C)n1 ZINC000309903073 384712642 /nfs/dbraw/zinc/71/26/42/384712642.db2.gz ISDZPBVVEDYPQF-ONGXEEELSA-N 0 1 240.372 2.363 20 0 BEADMN CC(C)(C)c1ccc2c(c1)C[N@H+](CC(=O)[O-])CC2 ZINC000082791437 384716005 /nfs/dbraw/zinc/71/60/05/384716005.db2.gz PMAQXFQCSYPZBI-UHFFFAOYSA-N 0 1 247.338 2.427 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H]2C[C@H](C)O)o1 ZINC000357012127 384722326 /nfs/dbraw/zinc/72/23/26/384722326.db2.gz VYGMEMRORAONGR-ZMLRMANQSA-N 0 1 238.331 2.279 20 0 BEADMN CO[C@H]1CN(Cc2cc(C)ns2)CC[C@H]1C ZINC000643892309 384733204 /nfs/dbraw/zinc/73/32/04/384733204.db2.gz WEIMIEFEZHYLEI-SKDRFNHKSA-N 0 1 240.372 2.308 20 0 BEADMN C[C@@H](O)C[C@@H]1CCCCN1Cc1nccs1 ZINC000163099283 384739569 /nfs/dbraw/zinc/73/95/69/384739569.db2.gz LLIAOJVHBQCEST-MNOVXSKESA-N 0 1 240.372 2.269 20 0 BEADMN Brc1cnccc1CNC1CC1 ZINC000307081690 384740005 /nfs/dbraw/zinc/74/00/05/384740005.db2.gz PJUBVLOMBAZJIQ-UHFFFAOYSA-N 0 1 227.105 2.096 20 0 BEADMN C[C@@H](NC1Cc2ccccc2C1)c1csnn1 ZINC000334830222 384742396 /nfs/dbraw/zinc/74/23/96/384742396.db2.gz SBLCNNWYSSYLEQ-SECBINFHSA-N 0 1 245.351 2.356 20 0 BEADMN CCCCN(CC)CC(=O)Nc1cc(C)on1 ZINC000052877803 384753300 /nfs/dbraw/zinc/75/33/00/384753300.db2.gz TZKYSNZQQZEMFE-UHFFFAOYSA-N 0 1 239.319 2.044 20 0 BEADMN CC(C)CCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000052882409 384754036 /nfs/dbraw/zinc/75/40/36/384754036.db2.gz UCYPWMOGUKXJPU-OAHLLOKOSA-N 0 1 248.370 2.413 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000309981056 384758273 /nfs/dbraw/zinc/75/82/73/384758273.db2.gz WCWKSPRWUUJMNE-HBNTYKKESA-N 0 1 224.304 2.201 20 0 BEADMN CCCCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000062622145 384760682 /nfs/dbraw/zinc/76/06/82/384760682.db2.gz NVAFDSGLVODBMZ-AWEZNQCLSA-N 0 1 246.354 2.350 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)C(F)F)o1 ZINC000300404237 384761753 /nfs/dbraw/zinc/76/17/53/384761753.db2.gz ISAYJGNYGRLFBG-QNSHHTMESA-N 0 1 245.269 2.119 20 0 BEADMN CCOC(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000070559860 384763401 /nfs/dbraw/zinc/76/34/01/384763401.db2.gz ISNLDFBNOODCJJ-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)(C)CCNC(=O)[C@H](N)c1ccccc1 ZINC000083361156 384765279 /nfs/dbraw/zinc/76/52/79/384765279.db2.gz BZQSXWAPLDHUTH-GFCCVEGCSA-N 0 1 234.343 2.239 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@H](N)c1ccccc1 ZINC000083361157 384766870 /nfs/dbraw/zinc/76/68/70/384766870.db2.gz BZQSXWAPLDHUTH-LBPRGKRZSA-N 0 1 234.343 2.239 20 0 BEADMN Cc1cc(CC(=O)NCC2CCC(C)CC2)[nH]n1 ZINC000126058882 384769150 /nfs/dbraw/zinc/76/91/50/384769150.db2.gz IMWQZFDULJZCGM-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN COC(=O)CCCN[C@H](C)c1ncc(C)s1 ZINC000126072123 384769688 /nfs/dbraw/zinc/76/96/88/384769688.db2.gz HJLNTQJMHVHLHQ-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000647369266 384834928 /nfs/dbraw/zinc/83/49/28/384834928.db2.gz VDNXQXYDKRXOHY-MNOVXSKESA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1csnn1 ZINC000306591419 384785814 /nfs/dbraw/zinc/78/58/14/384785814.db2.gz VPDGIPUPEOUNNY-RYPBNFRJSA-N 0 1 211.334 2.233 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1csnn1 ZINC000306591420 384786712 /nfs/dbraw/zinc/78/67/12/384786712.db2.gz VPDGIPUPEOUNNY-UYXSQOIJSA-N 0 1 211.334 2.233 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000048756071 384787409 /nfs/dbraw/zinc/78/74/09/384787409.db2.gz NAQNMPLAKNECLI-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CCN(C)Cc1c(OC)cc(OC)cc1OC ZINC000126300883 384789721 /nfs/dbraw/zinc/78/97/21/384789721.db2.gz PWOVLOCEFNGYNY-UHFFFAOYSA-N 0 1 239.315 2.164 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000083663214 384790275 /nfs/dbraw/zinc/79/02/75/384790275.db2.gz PBOJYTVPGYIMEV-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@H](O)CNc1ccnc(C)c1Cl ZINC000306212452 384798864 /nfs/dbraw/zinc/79/88/64/384798864.db2.gz VUOJKMIHYZSHAW-QMMMGPOBSA-N 0 1 214.696 2.226 20 0 BEADMN CCc1ccc(CC[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000084078776 384836734 /nfs/dbraw/zinc/83/67/34/384836734.db2.gz KKFAPOZUESITCR-CQSZACIVSA-N 0 1 247.338 2.198 20 0 BEADMN COC(=O)c1occc1CNC1(C2(C)CC2)CC1 ZINC000398192782 384837028 /nfs/dbraw/zinc/83/70/28/384837028.db2.gz SLVCJDPVDFXUGK-UHFFFAOYSA-N 0 1 249.310 2.489 20 0 BEADMN CC(C)Cn1nccc1CN[C@@H](C)c1cn[nH]c1 ZINC000647196788 384812086 /nfs/dbraw/zinc/81/20/86/384812086.db2.gz MOKABLBENCDDKH-NSHDSACASA-N 0 1 247.346 2.113 20 0 BEADMN C[C@](O)(CNCc1c(F)cccc1F)C1CC1 ZINC000310172881 384873919 /nfs/dbraw/zinc/87/39/19/384873919.db2.gz UMPDLAUMZFNRBZ-ZDUSSCGKSA-N 0 1 241.281 2.215 20 0 BEADMN CCCC1(CNC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000225562065 384874988 /nfs/dbraw/zinc/87/49/88/384874988.db2.gz TVNOHUCLKBYILZ-ZDUSSCGKSA-N 0 1 246.354 2.383 20 0 BEADMN CCC(CC)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177129782 384876212 /nfs/dbraw/zinc/87/62/12/384876212.db2.gz HYVBHZOABDHDDG-CMPLNLGQSA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)C1(NC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000647293290 384878256 /nfs/dbraw/zinc/87/82/56/384878256.db2.gz LPSISUXOAFGOFK-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN COc1cccc([C@@H](C)N(C)Cc2nnc[nH]2)c1 ZINC000177132332 384881108 /nfs/dbraw/zinc/88/11/08/384881108.db2.gz UVUIXQDCTDUGSG-SNVBAGLBSA-N 0 1 246.314 2.006 20 0 BEADMN C=C/C(C)=C/CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000647393187 384882575 /nfs/dbraw/zinc/88/25/75/384882575.db2.gz PPCFBFDIRMBJLH-UUSKSKHGSA-N 0 1 236.359 2.060 20 0 BEADMN C=C/C(C)=C\CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000647393185 384882792 /nfs/dbraw/zinc/88/27/92/384882792.db2.gz PPCFBFDIRMBJLH-ABVOLYDNSA-N 0 1 236.359 2.060 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1csnn1 ZINC000398283569 384885980 /nfs/dbraw/zinc/88/59/80/384885980.db2.gz XKRGFIROXKZBBC-JXUBOQSCSA-N 0 1 223.345 2.377 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC2CC2)C[C@H](C)N1C ZINC000647394693 384887339 /nfs/dbraw/zinc/88/73/39/384887339.db2.gz SJVVPTOUATXCBS-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1csnn1 ZINC000398283562 384887890 /nfs/dbraw/zinc/88/78/90/384887890.db2.gz XKRGFIROXKZBBC-DOLQZWNJSA-N 0 1 223.345 2.377 20 0 BEADMN COC1([C@H](C)NCc2cocn2)CCCC1 ZINC000643347404 384839053 /nfs/dbraw/zinc/83/90/53/384839053.db2.gz JARQWVMHEIZHSP-JTQLQIEISA-N 0 1 224.304 2.112 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000358238259 384843527 /nfs/dbraw/zinc/84/35/27/384843527.db2.gz FFZZGHDSHLRCBA-UWJYBYFXSA-N 0 1 237.274 2.026 20 0 BEADMN Cc1cccc2[nH]c(CN[C@@H]3CO[C@H](C)C3)nc21 ZINC000647197992 384847852 /nfs/dbraw/zinc/84/78/52/384847852.db2.gz YISYVMWURQOASL-MNOVXSKESA-N 0 1 245.326 2.138 20 0 BEADMN C[C@H](NCc1cncs1)c1cccnc1 ZINC000054770187 384854746 /nfs/dbraw/zinc/85/47/46/384854746.db2.gz LTIHKAIBGMAODY-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)C[C@@H]1CC ZINC000561616789 384857673 /nfs/dbraw/zinc/85/76/73/384857673.db2.gz SOZAARIZPIWILH-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)cc1 ZINC000092940193 384859874 /nfs/dbraw/zinc/85/98/74/384859874.db2.gz GMWODDGRROECPH-BXKDBHETSA-N 0 1 237.274 2.121 20 0 BEADMN COC(=O)c1ccccc1CC[N@@H+](C)C1CC1 ZINC000186669735 384866783 /nfs/dbraw/zinc/86/67/83/384866783.db2.gz GYJAZXAEZKRTJC-UHFFFAOYSA-N 0 1 233.311 2.110 20 0 BEADMN COc1cc(CNCc2cnc(C)s2)ccn1 ZINC000057590963 384954421 /nfs/dbraw/zinc/95/44/21/384954421.db2.gz FSEUSNAOBYVOCB-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1cnccc1N ZINC000127871124 384956078 /nfs/dbraw/zinc/95/60/78/384956078.db2.gz ZSHWKJARLYDAHC-SNVBAGLBSA-N 0 1 235.331 2.218 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccccn1 ZINC000085590122 384957842 /nfs/dbraw/zinc/95/78/42/384957842.db2.gz GMTOBNBQHXSNOQ-NSHDSACASA-N 0 1 215.300 2.271 20 0 BEADMN C[C@H](O)CCN(C)Cc1ccc(F)cc1F ZINC000084863976 384902354 /nfs/dbraw/zinc/90/23/54/384902354.db2.gz JLIWYYLFZWUYQI-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635765675 384905968 /nfs/dbraw/zinc/90/59/68/384905968.db2.gz SOQMPKJYCLLFQP-DDHJBXDOSA-N 0 1 247.342 2.303 20 0 BEADMN Cc1nc(CN[C@@H]2CC[C@@H](F)C2)cs1 ZINC000306392348 384910406 /nfs/dbraw/zinc/91/04/06/384910406.db2.gz GFNVARPENWTWII-RKDXNWHRSA-N 0 1 214.309 2.432 20 0 BEADMN CCCC[C@@](C)(CO)NCc1cscn1 ZINC000647239993 384913291 /nfs/dbraw/zinc/91/32/91/384913291.db2.gz WYMZJEYJVJTUNZ-NSHDSACASA-N 0 1 228.361 2.174 20 0 BEADMN CCC[C@@](C)(O)CN[C@H](C)c1cscn1 ZINC000127852104 384914870 /nfs/dbraw/zinc/91/48/70/384914870.db2.gz WNQKQDAQJMNKKD-MWLCHTKSSA-N 0 1 228.361 2.345 20 0 BEADMN CC[N@@H+](CCO)Cc1ccc(F)c(Cl)c1 ZINC000127955781 384918099 /nfs/dbraw/zinc/91/80/99/384918099.db2.gz TUQJSOJXSRQJEK-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@H]2CCC[C@H]21 ZINC000312955414 384932416 /nfs/dbraw/zinc/93/24/16/384932416.db2.gz NMPSWRHOFCMLNF-GHMZBOCLSA-N 0 1 225.332 2.203 20 0 BEADMN O[C@@H](CNCc1nccs1)CC1CCCC1 ZINC000644523229 384933241 /nfs/dbraw/zinc/93/32/41/384933241.db2.gz MZBQWQRPQXCHFQ-LLVKDONJSA-N 0 1 240.372 2.174 20 0 BEADMN CC(C)Cc1nsc(NCC[C@@H](C)F)n1 ZINC000338752169 384942826 /nfs/dbraw/zinc/94/28/26/384942826.db2.gz FITZQROBYFLIML-MRVPVSSYSA-N 0 1 231.340 2.319 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062133316 384968413 /nfs/dbraw/zinc/96/84/13/384968413.db2.gz BMHNJHIHAVOQKA-GFCCVEGCSA-N 0 1 233.311 2.210 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000062134450 384970315 /nfs/dbraw/zinc/97/03/15/384970315.db2.gz CDASOARGJZOATM-JTQLQIEISA-N 0 1 239.702 2.247 20 0 BEADMN CCN(CCO)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000127962376 384970728 /nfs/dbraw/zinc/97/07/28/384970728.db2.gz PEPDKWAHLUQHAB-CMPLNLGQSA-N 0 1 223.316 2.217 20 0 BEADMN Cc1cc(CNCc2cccnc2C)sn1 ZINC000404353019 384976803 /nfs/dbraw/zinc/97/68/03/384976803.db2.gz YGPSCJPPRGOTBN-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1ccc([C@H](O)CNCc2ccco2)o1 ZINC000164394508 384982822 /nfs/dbraw/zinc/98/28/22/384982822.db2.gz DIZQRKHXDKMPLY-LLVKDONJSA-N 0 1 221.256 2.004 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000644586536 384984656 /nfs/dbraw/zinc/98/46/56/384984656.db2.gz IRWSDMRKHDGKSX-WDEREUQCSA-N 0 1 246.310 2.201 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)c2cnccc2N)C1 ZINC000187925660 384995689 /nfs/dbraw/zinc/99/56/89/384995689.db2.gz XQJFLQWYCKWGNE-LLVKDONJSA-N 0 1 247.342 2.316 20 0 BEADMN Cc1nnc(CN[C@@]2(C)CCCC[C@H]2C)o1 ZINC000308708088 385006643 /nfs/dbraw/zinc/00/66/43/385006643.db2.gz KNHHZRUGLWUHNC-SKDRFNHKSA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@H]1C[C@H](NCc2cnc(C3CC3)o2)[C@H](C)O1 ZINC000449709636 385016109 /nfs/dbraw/zinc/01/61/09/385016109.db2.gz ZTPOJJVRKGCMQK-PTRXPTGYSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000226453622 385016333 /nfs/dbraw/zinc/01/63/33/385016333.db2.gz CHOQQNUJBDIJSR-NEPJUHHUSA-N 0 1 235.327 2.443 20 0 BEADMN CCO[C@@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000644626913 385023297 /nfs/dbraw/zinc/02/32/97/385023297.db2.gz CVUWFNAIRDBLKC-QWHCGFSZSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1cc(F)c(CNCC2(CO)CC2)c(F)c1 ZINC000643767039 385019217 /nfs/dbraw/zinc/01/92/17/385019217.db2.gz CBRGEQIDMSPEJM-UHFFFAOYSA-N 0 1 241.281 2.135 20 0 BEADMN Cc1ccoc1CNCC[S@](=O)C(C)(C)C ZINC000164586385 385019262 /nfs/dbraw/zinc/01/92/62/385019262.db2.gz YZAYYCICSZFSRP-MRXNPFEDSA-N 0 1 243.372 2.225 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H](C)C2(C)CC2)n[nH]1 ZINC000175799822 384962094 /nfs/dbraw/zinc/96/20/94/384962094.db2.gz VLGIQKCWIPSNLE-SECBINFHSA-N 0 1 235.331 2.233 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CC1CCCC1 ZINC000647461141 385049310 /nfs/dbraw/zinc/04/93/10/385049310.db2.gz ZCACWHTYYAPIPJ-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN Cn1cccc1C(=O)CN1CCC2(CCC2)CC1 ZINC000308741725 385051048 /nfs/dbraw/zinc/05/10/48/385051048.db2.gz HFKKZKXGDMWDKW-UHFFFAOYSA-N 0 1 246.354 2.474 20 0 BEADMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000188473803 385055542 /nfs/dbraw/zinc/05/55/42/385055542.db2.gz XTRPJDYLWOISGM-VHSXEESVSA-N 0 1 240.372 2.266 20 0 BEADMN CON(C)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000128718225 385065310 /nfs/dbraw/zinc/06/53/10/385065310.db2.gz NRQUSGDAXURYMI-UHFFFAOYSA-N 0 1 237.303 2.091 20 0 BEADMN CCc1ccc(CNCc2ccn(C)c2)o1 ZINC000150951890 385077806 /nfs/dbraw/zinc/07/78/06/385077806.db2.gz YRDGMAUMFFPWHE-UHFFFAOYSA-N 0 1 218.300 2.470 20 0 BEADMN COC[C@@H](N[C@H](C)c1cscn1)C1CC1 ZINC000131238506 385079748 /nfs/dbraw/zinc/07/97/48/385079748.db2.gz GBPGCCGIQSBIMZ-PSASIEDQSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1cc(CC(=O)NC2[C@@H](C)CCC[C@@H]2C)[nH]n1 ZINC000176394176 385080451 /nfs/dbraw/zinc/08/04/51/385080451.db2.gz YZIMTUJOXBPTMK-UWVGGRQHSA-N 0 1 249.358 2.202 20 0 BEADMN CCCC[N@@H+](C)CC(=O)NCc1cccs1 ZINC000058874748 385030731 /nfs/dbraw/zinc/03/07/31/385030731.db2.gz OIRMILTXRRSHPC-UHFFFAOYSA-N 0 1 240.372 2.096 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@H](SC)C1 ZINC000518386745 385032527 /nfs/dbraw/zinc/03/25/27/385032527.db2.gz OGSDRJKCPORNHS-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@@H](CC(=O)N[C@H](C)c1nnc[nH]1)C(C)C ZINC000176206693 385040815 /nfs/dbraw/zinc/04/08/15/385040815.db2.gz JHYNMYGKLIEXTP-ZJUUUORDSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1cncc(CN2CCOCC[C@@H]2C)c1 ZINC000364135817 385041917 /nfs/dbraw/zinc/04/19/17/385041917.db2.gz MIBMCJUTIIJMFK-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)n1cc(CN2CCCC[C@@H](C)C2)nn1 ZINC000334146236 385042799 /nfs/dbraw/zinc/04/27/99/385042799.db2.gz BQTUCLITNTWWKL-GFCCVEGCSA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)n1cc(CN2CCCC[C@H](C)C2)nn1 ZINC000334146237 385042822 /nfs/dbraw/zinc/04/28/22/385042822.db2.gz BQTUCLITNTWWKL-LBPRGKRZSA-N 0 1 236.363 2.481 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086774859 385046252 /nfs/dbraw/zinc/04/62/52/385046252.db2.gz FDRKMCSBFZRGDE-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@H]3C[C@H]3C)[nH]c2c1 ZINC000646984399 385110655 /nfs/dbraw/zinc/11/06/55/385110655.db2.gz BANNUERZHRQLTR-BDAKNGLRSA-N 0 1 229.283 2.466 20 0 BEADMN c1csc(CN[C@@H]2C[C@H]2C2CCC2)n1 ZINC000643800957 385111228 /nfs/dbraw/zinc/11/12/28/385111228.db2.gz JABUWXMEQLCNGB-VHSXEESVSA-N 0 1 208.330 2.421 20 0 BEADMN C[C@H]1[C@H](C)N(c2nc3ccccc3o2)CCN1C ZINC000336340801 385122091 /nfs/dbraw/zinc/12/20/91/385122091.db2.gz IAFMHUYMYVAURR-QWRGUYRKSA-N 0 1 245.326 2.357 20 0 BEADMN Cc1ccoc1C[N@@H+](C)CCCCCO ZINC000279413685 385124049 /nfs/dbraw/zinc/12/40/49/385124049.db2.gz MKJSESAUIYIGOQ-UHFFFAOYSA-N 0 1 211.305 2.182 20 0 BEADMN C[C@@H](O)CNCc1nc(-c2ccccc2)cs1 ZINC000061680832 385132566 /nfs/dbraw/zinc/13/25/66/385132566.db2.gz XUOKVYCXCOUHOG-SNVBAGLBSA-N 0 1 248.351 2.281 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC2(CC2)CC1 ZINC000370881768 385135434 /nfs/dbraw/zinc/13/54/34/385135434.db2.gz QWEIDKWALVPUGA-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN CC(C)c1nc(CN2CCC[C@H]2C(F)F)n[nH]1 ZINC000644680355 385093110 /nfs/dbraw/zinc/09/31/10/385093110.db2.gz BKNHCDSBBSXKOH-QMMMGPOBSA-N 0 1 244.289 2.158 20 0 BEADMN CCOC(=O)CN(CCCCF)C(C)C ZINC000308777168 385098982 /nfs/dbraw/zinc/09/89/82/385098982.db2.gz AXCWCNOAKFLIGH-UHFFFAOYSA-N 0 1 219.300 2.010 20 0 BEADMN CC(=O)CN1CCc2ccccc2[C@H](C)C1 ZINC000404927909 385184729 /nfs/dbraw/zinc/18/47/29/385184729.db2.gz IIQMMHKAMJNTLA-LLVKDONJSA-N 0 1 217.312 2.237 20 0 BEADMN CSC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000279722124 385188266 /nfs/dbraw/zinc/18/82/66/385188266.db2.gz ZTHHSTXWHMPJDG-CBAPKCEASA-N 0 1 214.334 2.385 20 0 BEADMN CSC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000279722125 385188689 /nfs/dbraw/zinc/18/86/89/385188689.db2.gz ZTHHSTXWHMPJDG-IONNQARKSA-N 0 1 214.334 2.385 20 0 BEADMN CCCc1ccc(CN(C)Cc2nnc[nH]2)cc1 ZINC000177151176 385191593 /nfs/dbraw/zinc/19/15/93/385191593.db2.gz APMOTMXQMQTPPT-UHFFFAOYSA-N 0 1 244.342 2.389 20 0 BEADMN C[C@H](N[C@H](CO)c1ccccc1)c1cccnc1 ZINC000062999343 385199522 /nfs/dbraw/zinc/19/95/22/385199522.db2.gz JBEOZLUMOKJWDF-SWLSCSKDSA-N 0 1 242.322 2.466 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CC23CC3)c2nccn21 ZINC000424332451 385148503 /nfs/dbraw/zinc/14/85/03/385148503.db2.gz WKJJPYGTCPEXTR-BBBLOLIVSA-N 0 1 203.289 2.031 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NCc1ccoc1 ZINC000062103628 385157238 /nfs/dbraw/zinc/15/72/38/385157238.db2.gz ZBKSSYXRZYSOAG-GFCCVEGCSA-N 0 1 231.299 2.180 20 0 BEADMN CC(C)CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176916609 385157412 /nfs/dbraw/zinc/15/74/12/385157412.db2.gz LERAEAYGHZCTJU-UHFFFAOYSA-N 0 1 235.331 2.128 20 0 BEADMN c1c[nH]c(CN[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000176744880 385159930 /nfs/dbraw/zinc/15/99/30/385159930.db2.gz FYRRNTJTTSFVID-OCCSQVGLSA-N 0 1 243.310 2.030 20 0 BEADMN COc1cc([C@@H](C)N[C@H]2CC23CC3)c(F)cn1 ZINC000424318776 385160493 /nfs/dbraw/zinc/16/04/93/385160493.db2.gz HQJGHWQNIFYDKP-KCJUWKMLSA-N 0 1 236.290 2.432 20 0 BEADMN CC[C@H]1COCCN1CCCc1ccncc1 ZINC000360448078 385162850 /nfs/dbraw/zinc/16/28/50/385162850.db2.gz OURQVWNUYXBHHS-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN Cc1cnn(C)c1CN1CCS[C@@H](C)[C@H]1C ZINC000289519010 385200874 /nfs/dbraw/zinc/20/08/74/385200874.db2.gz FWHFFHSTIGTNKB-MNOVXSKESA-N 0 1 239.388 2.054 20 0 BEADMN CCCCN(CC)[C@H](C)C(=O)OCC ZINC000043638487 385170876 /nfs/dbraw/zinc/17/08/76/385170876.db2.gz LHHVRWAJVVYKOZ-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)N(Cc1nccn1C)C1CCC1 ZINC000119730894 385173653 /nfs/dbraw/zinc/17/36/53/385173653.db2.gz GKULXWQJIRMBAF-UHFFFAOYSA-N 0 1 207.321 2.183 20 0 BEADMN C[C@H]1C[N@H+]([C@@H]2CCCOC2)Cc2ccccc2O1 ZINC000644784605 385180857 /nfs/dbraw/zinc/18/08/57/385180857.db2.gz JAIGLFUCDCZNJX-GXTWGEPZSA-N 0 1 247.338 2.449 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)n[nH]1 ZINC000152839356 385215589 /nfs/dbraw/zinc/21/55/89/385215589.db2.gz SOWDFFPWSLNFTH-QWRGUYRKSA-N 0 1 247.342 2.405 20 0 BEADMN Cn1cc([C@@H](NCCF)C(C)(C)C)cn1 ZINC000308859545 385222533 /nfs/dbraw/zinc/22/25/33/385222533.db2.gz YHTJQQPYENISHY-SNVBAGLBSA-N 0 1 213.300 2.066 20 0 BEADMN Cn1cnc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000313046902 385244325 /nfs/dbraw/zinc/24/43/25/385244325.db2.gz PDZRQAAGOYGMCD-LBPRGKRZSA-N 0 1 248.374 2.408 20 0 BEADMN Cc1csc(CN2CCC[C@@](C)(O)CC2)n1 ZINC000230375469 385245430 /nfs/dbraw/zinc/24/54/30/385245430.db2.gz ACGUHNWAQIWXIQ-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1csc(CN[C@H](C)COC(C)C)n1 ZINC000308894704 385247898 /nfs/dbraw/zinc/24/78/98/385247898.db2.gz YZUCQMSCSCFQTK-SECBINFHSA-N 0 1 228.361 2.355 20 0 BEADMN CC[C@@H](CCO)CN[C@H](C)c1cc(C)on1 ZINC000290636504 385250971 /nfs/dbraw/zinc/25/09/71/385250971.db2.gz JGERBMYWTQNHTF-MNOVXSKESA-N 0 1 226.320 2.042 20 0 BEADMN Cc1ccc([C@H](C)NCC2(C)OCCCO2)o1 ZINC000190673637 385254100 /nfs/dbraw/zinc/25/41/00/385254100.db2.gz ZZBHZTHMXHUJLN-NSHDSACASA-N 0 1 239.315 2.392 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000157519231 385204544 /nfs/dbraw/zinc/20/45/44/385204544.db2.gz JAUAYAINOCPZMS-ZJUUUORDSA-N 0 1 243.310 2.481 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](CC)CCc1ccccc1 ZINC000191408978 385302287 /nfs/dbraw/zinc/30/22/87/385302287.db2.gz NNJMCKNPBJDQCV-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000308934691 385303957 /nfs/dbraw/zinc/30/39/57/385303957.db2.gz CKRKIVLNFIIQOU-HBNTYKKESA-N 0 1 206.289 2.261 20 0 BEADMN C[C@@]1(NCc2cccnc2Cl)CCOC1 ZINC000120117891 385269808 /nfs/dbraw/zinc/26/98/08/385269808.db2.gz HFRGYLMOVZEHKK-LLVKDONJSA-N 0 1 226.707 2.004 20 0 BEADMN Cc1ncsc1CN(C)CCCF ZINC000178449949 385270734 /nfs/dbraw/zinc/27/07/34/385270734.db2.gz LZUMSXXMGUTIAY-UHFFFAOYSA-N 0 1 202.298 2.243 20 0 BEADMN Cc1csc(CN(C)C[C@@H]2CCCOC2)n1 ZINC000130706494 385277666 /nfs/dbraw/zinc/27/76/66/385277666.db2.gz BTMUPPUHHMYBTG-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@H](NCc1ccoc1)c1cnn(C)c1 ZINC000166762665 385281736 /nfs/dbraw/zinc/28/17/36/385281736.db2.gz AEEGDLUYOXSLPI-LBPRGKRZSA-N 0 1 219.288 2.254 20 0 BEADMN COC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccco1 ZINC000191088671 385283834 /nfs/dbraw/zinc/28/38/34/385283834.db2.gz FQUCQISCFDIOIC-UTUOFQBUSA-N 0 1 239.315 2.124 20 0 BEADMN COC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000130910977 385294329 /nfs/dbraw/zinc/29/43/29/385294329.db2.gz IEAMRQZOYKUNBR-LLVKDONJSA-N 0 1 246.310 2.466 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H](C)C(C)C)cc1 ZINC000228076006 385329004 /nfs/dbraw/zinc/32/90/04/385329004.db2.gz PVMPPKBYCIHHSW-YPMHNXCESA-N 0 1 234.343 2.156 20 0 BEADMN CCCO[C@H]1CCCN(Cc2ccon2)CC1 ZINC000158050368 385332609 /nfs/dbraw/zinc/33/26/09/385332609.db2.gz XRARKESFESMLIT-ZDUSSCGKSA-N 0 1 238.331 2.456 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@H](C)C(C)C)cc1 ZINC000228088866 385336070 /nfs/dbraw/zinc/33/60/70/385336070.db2.gz LHQZQMCVOCMWIB-JSGCOSHPSA-N 0 1 248.370 2.403 20 0 BEADMN c1nc(CNC[C@H]2CCOc3ccccc32)co1 ZINC000178923451 385346298 /nfs/dbraw/zinc/34/62/98/385346298.db2.gz BGMJNWSGKMJUOV-LLVKDONJSA-N 0 1 244.294 2.331 20 0 BEADMN Cc1nc(CSc2c[nH]nn2)sc1C ZINC000178244750 385347978 /nfs/dbraw/zinc/34/79/78/385347978.db2.gz SPHCZWZMDMXBAT-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1ccnc(NCCC(C)(C)CO)c1 ZINC000294976119 385348716 /nfs/dbraw/zinc/34/87/16/385348716.db2.gz OQXCCPIHVQKHHG-UHFFFAOYSA-N 0 1 208.305 2.211 20 0 BEADMN CCC1(CNC(=O)[C@](C)(N)c2ccccc2)CC1 ZINC000192474982 385358579 /nfs/dbraw/zinc/35/85/79/385358579.db2.gz LCYBSHRCJRYOLZ-CQSZACIVSA-N 0 1 246.354 2.167 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C)C(C)(C)C2)[nH]1 ZINC000273750987 385374336 /nfs/dbraw/zinc/37/43/36/385374336.db2.gz VVKUMLSJUXCBSP-SECBINFHSA-N 0 1 235.331 2.226 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C)C(C)(C)C2)[nH]1 ZINC000273750990 385375555 /nfs/dbraw/zinc/37/55/55/385375555.db2.gz VVKUMLSJUXCBSP-VIFPVBQESA-N 0 1 235.331 2.226 20 0 BEADMN Cc1cn[nH]c1CNc1cnccc1C ZINC000289411601 385377256 /nfs/dbraw/zinc/37/72/56/385377256.db2.gz BNOPLDWPRNTUIS-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN CCCc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000155195283 385380455 /nfs/dbraw/zinc/38/04/55/385380455.db2.gz TXPCYNWWXMIYKN-LBPRGKRZSA-N 0 1 246.354 2.073 20 0 BEADMN COC[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000309049460 385384072 /nfs/dbraw/zinc/38/40/72/385384072.db2.gz QAULAMKXJRFTJV-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)COC2 ZINC000280991697 385385959 /nfs/dbraw/zinc/38/59/59/385385959.db2.gz JVZCIXAAMCDWSS-VIFPVBQESA-N 0 1 209.264 2.337 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H](C)C2CCC2)n1 ZINC000308971389 385327286 /nfs/dbraw/zinc/32/72/86/385327286.db2.gz ZQSPRIWXHLJLDW-JGVFFNPUSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H](CNCc1c(F)cccc1F)OC ZINC000289416599 385400523 /nfs/dbraw/zinc/40/05/23/385400523.db2.gz AVZXCRKXPXZAEA-VIFPVBQESA-N 0 1 229.270 2.479 20 0 BEADMN Cc1nc(CNCCCOC(F)F)cs1 ZINC000193662886 385406661 /nfs/dbraw/zinc/40/66/61/385406661.db2.gz NJBFPEZXNXWARN-UHFFFAOYSA-N 0 1 236.287 2.170 20 0 BEADMN Cc1csc(CN(C)[C@H](C)C(C)(C)O)n1 ZINC000295088002 385426699 /nfs/dbraw/zinc/42/66/99/385426699.db2.gz DYYCPBALKDPDJV-SECBINFHSA-N 0 1 228.361 2.043 20 0 BEADMN COCCc1nc(C)c([C@H](C)NCCF)s1 ZINC000281223857 385416349 /nfs/dbraw/zinc/41/63/49/385416349.db2.gz ZRJSMBQXVYNKMB-QMMMGPOBSA-N 0 1 246.351 2.261 20 0 BEADMN Cc1nc(CN[C@H]2CCOC2(C)C)c(C)s1 ZINC000334433107 385451242 /nfs/dbraw/zinc/45/12/42/385451242.db2.gz CYOHFBHNOKZKKX-NSHDSACASA-N 0 1 240.372 2.417 20 0 BEADMN CC[C@H](COC)N[C@H](COC)c1ccc(C)o1 ZINC000156512580 385457030 /nfs/dbraw/zinc/45/70/30/385457030.db2.gz GAAGWDCFXZCFJN-VXGBXAGGSA-N 0 1 241.331 2.290 20 0 BEADMN COc1ccc(CCN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000155993792 385427459 /nfs/dbraw/zinc/42/74/59/385427459.db2.gz XZXXEEBTEQGRLZ-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN C[C@]1(CNCc2ncc(Cl)s2)CCOC1 ZINC000309134594 385428050 /nfs/dbraw/zinc/42/80/50/385428050.db2.gz RVGMZYDSMJBQIC-SNVBAGLBSA-N 0 1 246.763 2.313 20 0 BEADMN CO[C@H](C)CNC(C)(C)c1nccs1 ZINC000182338525 385437317 /nfs/dbraw/zinc/43/73/17/385437317.db2.gz MYAPPUCFWHRBIV-MRVPVSSYSA-N 0 1 214.334 2.003 20 0 BEADMN COC(=O)c1coc(CN2CCC(C)CC2)c1 ZINC000171028908 385464969 /nfs/dbraw/zinc/46/49/69/385464969.db2.gz FUDRQOXDQHNDGT-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CCc1ccc(CN2CCCO[C@H](C)C2)o1 ZINC000179397487 385465725 /nfs/dbraw/zinc/46/57/25/385465725.db2.gz UQZOWVSRWYRKAU-LLVKDONJSA-N 0 1 223.316 2.453 20 0 BEADMN Cc1ccc2nc(CNC(=O)C(C)(C)F)[nH]c2c1 ZINC000179414616 385465807 /nfs/dbraw/zinc/46/58/07/385465807.db2.gz XNCFGKPIANNQGG-UHFFFAOYSA-N 0 1 249.289 2.236 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364513126 385475161 /nfs/dbraw/zinc/47/51/61/385475161.db2.gz ZDXGIHDCRKXKFJ-STQMWFEESA-N 0 1 249.310 2.003 20 0 BEADMN C[C@@H](CNCc1ncc(Cl)s1)C[C@H](C)O ZINC000336772181 385483202 /nfs/dbraw/zinc/48/32/02/385483202.db2.gz XVYSELGRNAIGOU-SFYZADRCSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)[C@H]2CCCC[C@@H]12 ZINC000643166633 385485361 /nfs/dbraw/zinc/48/53/61/385485361.db2.gz PDQLCYUGAKSINV-MDZLAQPJSA-N 0 1 247.342 2.451 20 0 BEADMN CC(C)C(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000170964994 385459738 /nfs/dbraw/zinc/45/97/38/385459738.db2.gz SSMDCDVPKHUOLD-UHFFFAOYSA-N 0 1 241.360 2.419 20 0 BEADMN CC(C)C(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000170964994 385459741 /nfs/dbraw/zinc/45/97/41/385459741.db2.gz SSMDCDVPKHUOLD-UHFFFAOYSA-N 0 1 241.360 2.419 20 0 BEADMN COCc1cnc(CN[C@@H]2CC[C@@H]2C)s1 ZINC000309198078 385461504 /nfs/dbraw/zinc/46/15/04/385461504.db2.gz QVPSKZUWMOJNOC-WCBMZHEXSA-N 0 1 226.345 2.178 20 0 BEADMN C[C@@H]1c2ccccc2CCN1C(=O)c1ccn[nH]1 ZINC000171506217 385491447 /nfs/dbraw/zinc/49/14/47/385491447.db2.gz ILYFPBUVEDJEKV-SNVBAGLBSA-N 0 1 241.294 2.169 20 0 BEADMN Cc1cnc(CNC[C@@H](O)CC(C)(C)C)s1 ZINC000295215761 385498735 /nfs/dbraw/zinc/49/87/35/385498735.db2.gz QMYVNVRLTVLMOJ-JTQLQIEISA-N 0 1 242.388 2.338 20 0 BEADMN CS[C@@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000335074582 385504598 /nfs/dbraw/zinc/50/45/98/385504598.db2.gz AGVDSBDDZPGEAZ-YFKPBYRVSA-N 0 1 247.266 2.360 20 0 BEADMN CC(C)(C)CN(CC(N)=O)Cc1ccccc1 ZINC000171678114 385506847 /nfs/dbraw/zinc/50/68/47/385506847.db2.gz WKRALJMRFGZTDK-UHFFFAOYSA-N 0 1 234.343 2.020 20 0 BEADMN CSC[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000282149645 385509617 /nfs/dbraw/zinc/50/96/17/385509617.db2.gz LAFALMNSYWFTPC-WPRPVWTQSA-N 0 1 227.377 2.131 20 0 BEADMN C[N@H+](CCOc1ccc(F)cc1)Cc1c[nH]cn1 ZINC000179770323 385489901 /nfs/dbraw/zinc/48/99/01/385489901.db2.gz NOZULCPMQRPQAP-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN CN(CCOc1ccc(F)cc1)Cc1cnc[nH]1 ZINC000179770323 385489909 /nfs/dbraw/zinc/48/99/09/385489909.db2.gz NOZULCPMQRPQAP-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN C[C@H]1c2cccn2CCN1CC1CCOCC1 ZINC000172007450 385540689 /nfs/dbraw/zinc/54/06/89/385540689.db2.gz SMUFZXQGHBXDJE-LBPRGKRZSA-N 0 1 234.343 2.291 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)n[nH]1 ZINC000157988587 385541541 /nfs/dbraw/zinc/54/15/41/385541541.db2.gz PSZXJHRMHWSNAV-GHMZBOCLSA-N 0 1 249.358 2.480 20 0 BEADMN Cc1nccc(N2CCO[C@H]3C[C@H]32)c1Cl ZINC000644135935 385518674 /nfs/dbraw/zinc/51/86/74/385518674.db2.gz DEZOQMAYTAVEGE-ZJUUUORDSA-N 0 1 224.691 2.021 20 0 BEADMN Cc1cnc(C[N@@H+](C)C[C@H]2CCCOC2)s1 ZINC000180485967 385525173 /nfs/dbraw/zinc/52/51/73/385525173.db2.gz QDGBSGAZSNFZTO-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1cnc(CN(C)C[C@H]2CCCOC2)s1 ZINC000180485967 385525175 /nfs/dbraw/zinc/52/51/75/385525175.db2.gz QDGBSGAZSNFZTO-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@@H](C)CC)n[nH]1 ZINC000171867836 385526294 /nfs/dbraw/zinc/52/62/94/385526294.db2.gz IXIULOPZMOLNFF-VIFPVBQESA-N 0 1 223.320 2.090 20 0 BEADMN CC(C)(CO)[C@H](NCCF)c1ccccc1 ZINC000309414646 385575347 /nfs/dbraw/zinc/57/53/47/385575347.db2.gz YMYVOCWUKVACRS-GFCCVEGCSA-N 0 1 225.307 2.305 20 0 BEADMN Cc1sccc1CNCC(=O)NC(C)(C)C ZINC000309359179 385552471 /nfs/dbraw/zinc/55/24/71/385552471.db2.gz CUYKURMZLLAOCB-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN CN(CCC1CC1)c1nc(N)nc2c1CCCC2 ZINC000645195526 385597976 /nfs/dbraw/zinc/59/79/76/385597976.db2.gz PNKULEWHEPVPSY-UHFFFAOYSA-N 0 1 246.358 2.004 20 0 BEADMN CC(C)(C)CCCC(=O)NCCN1CCC1 ZINC000337310846 385600625 /nfs/dbraw/zinc/60/06/25/385600625.db2.gz BNUKMMXLUHBHPF-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CC[C@@H](NCCC(F)(F)F)c1ccn(C)n1 ZINC000336677081 385603289 /nfs/dbraw/zinc/60/32/89/385603289.db2.gz CAYIYLVAKISPFU-MRVPVSSYSA-N 0 1 235.253 2.413 20 0 BEADMN Cc1ccncc1CN(C)C[C@@H]1CCCCO1 ZINC000269539911 385604353 /nfs/dbraw/zinc/60/43/53/385604353.db2.gz AKVLRGKWJINNMQ-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN O=C(CC1CCCCCC1)NCCN1CCC1 ZINC000337290881 385587312 /nfs/dbraw/zinc/58/73/12/385587312.db2.gz DJNAOCSMNPEFIH-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN Cc1nccc(NCCC(C)(C)O)c1Cl ZINC000336677726 385614240 /nfs/dbraw/zinc/61/42/40/385614240.db2.gz IDLNTJHQBAMFQV-UHFFFAOYSA-N 0 1 228.723 2.038 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000309494233 385615325 /nfs/dbraw/zinc/61/53/25/385615325.db2.gz XYRGQKAMCBHVPZ-BDAKNGLRSA-N 0 1 240.372 2.317 20 0 BEADMN Cc1cnc(CN2CCCCCC2)nc1 ZINC000334719678 385615299 /nfs/dbraw/zinc/61/52/99/385615299.db2.gz OPLVSIRETPXBIZ-UHFFFAOYSA-N 0 1 205.305 2.161 20 0 BEADMN CCCc1csc(CN[C@@H](C)C[C@H](C)O)n1 ZINC000309491356 385618398 /nfs/dbraw/zinc/61/83/98/385618398.db2.gz XFTCFIZOYCDVOS-UWVGGRQHSA-N 0 1 242.388 2.345 20 0 BEADMN CSCCCN(C)Cc1conc1C ZINC000353335856 385624762 /nfs/dbraw/zinc/62/47/62/385624762.db2.gz WSFOZZTZYWUYER-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccccc1F ZINC000182005063 385627303 /nfs/dbraw/zinc/62/73/03/385627303.db2.gz GMKDMLZTFCBUPO-SNVBAGLBSA-N 0 1 211.280 2.292 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCC[C@@H](C)C1 ZINC000309481120 385607815 /nfs/dbraw/zinc/60/78/15/385607815.db2.gz WSVODAOKLDFTNJ-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN c1nc(CN2CC[C@H](CC3CC3)C2)co1 ZINC000354526034 385612683 /nfs/dbraw/zinc/61/26/83/385612683.db2.gz MIRNAOHBYDBQIR-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN CO[C@@H](C[NH2+]Cc1n[nH]c2ccccc21)C1CC1 ZINC000645206040 385652174 /nfs/dbraw/zinc/65/21/74/385652174.db2.gz HCIAIDZGXCLWEA-AWEZNQCLSA-N 0 1 245.326 2.078 20 0 BEADMN CC(C)[C@@H](CO)NCc1nc(C2CC2)cs1 ZINC000309520781 385657374 /nfs/dbraw/zinc/65/73/74/385657374.db2.gz CAZIUKPDYWBRJO-SNVBAGLBSA-N 0 1 240.372 2.127 20 0 BEADMN CCN(CCc1nccs1)Cc1ccno1 ZINC000270016089 385659893 /nfs/dbraw/zinc/65/98/93/385659893.db2.gz TYEKDRHBYPONHP-UHFFFAOYSA-N 0 1 237.328 2.196 20 0 BEADMN CC[C@@H](CN[C@H](C)c1cscn1)OC ZINC000290178930 385677546 /nfs/dbraw/zinc/67/75/46/385677546.db2.gz NJASUHRWGAXPHV-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN CO[C@](C)(CN1CCC=C(F)C1)C1CC1 ZINC000647912726 385678148 /nfs/dbraw/zinc/67/81/48/385678148.db2.gz XMVDUDCXFHYWFG-GFCCVEGCSA-N 0 1 213.296 2.361 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)cn2)[C@@H](C)C1 ZINC000281729735 385696558 /nfs/dbraw/zinc/69/65/58/385696558.db2.gz PSNJWNJRBBOECC-GXFFZTMASA-N 0 1 238.306 2.220 20 0 BEADMN C[N@@H+](CCCO)Cc1cccc2c1OC(C)(C)C2 ZINC000281776516 385700002 /nfs/dbraw/zinc/70/00/02/385700002.db2.gz MPDBPDXILSQWMZ-UHFFFAOYSA-N 0 1 249.354 2.214 20 0 BEADMN C[C@@H](NCC1(C(F)F)CC1)c1nccn1C ZINC000309571094 385701569 /nfs/dbraw/zinc/70/15/69/385701569.db2.gz NQZMGISSOODWCP-MRVPVSSYSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H](NC1CCCCCC1)c1ncn(C)n1 ZINC000309568322 385705522 /nfs/dbraw/zinc/70/55/22/385705522.db2.gz MYRAXZWVSGPHOB-JTQLQIEISA-N 0 1 222.336 2.189 20 0 BEADMN C[N@@H+](CCCO)[C@H]1CCc2ccc(F)cc21 ZINC000281931858 385716043 /nfs/dbraw/zinc/71/60/43/385716043.db2.gz SOWYFVRYRFXYTC-ZDUSSCGKSA-N 0 1 223.291 2.127 20 0 BEADMN C[N@@H+](CCCO)CCc1c(F)cccc1Cl ZINC000281935484 385716509 /nfs/dbraw/zinc/71/65/09/385716509.db2.gz SUCJPBCXMWLIHO-UHFFFAOYSA-N 0 1 245.725 2.336 20 0 BEADMN Cc1ccc(CNC(C)(C)COC(C)C)nn1 ZINC000414550052 385729836 /nfs/dbraw/zinc/72/98/36/385729836.db2.gz MMTSKFQGVVRVNU-UHFFFAOYSA-N 0 1 237.347 2.078 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2cccn2C)n[nH]1 ZINC000270716534 385733658 /nfs/dbraw/zinc/73/36/58/385733658.db2.gz MWESAQQSMOIKJP-SNVBAGLBSA-N 0 1 247.346 2.117 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1sccc1OC ZINC000309043815 385749896 /nfs/dbraw/zinc/74/98/96/385749896.db2.gz MYWWTSYGBVPCCW-SCZZXKLOSA-N 0 1 227.329 2.024 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000062133227 385762033 /nfs/dbraw/zinc/76/20/33/385762033.db2.gz YBTHDUQXJATMIP-ZDUSSCGKSA-N 0 1 233.311 2.210 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)Cc1nccc(N)n1 ZINC000282431152 385762146 /nfs/dbraw/zinc/76/21/46/385762146.db2.gz KCNXPZJKGSNFEF-NSHDSACASA-N 0 1 248.374 2.459 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)NCc1ncccn1 ZINC000062052578 385762239 /nfs/dbraw/zinc/76/22/39/385762239.db2.gz DCAVEGPOUOUIPH-LLVKDONJSA-N 0 1 245.301 2.337 20 0 BEADMN CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000282586114 385772864 /nfs/dbraw/zinc/77/28/64/385772864.db2.gz BRVOHMGYAGJRAN-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN Cc1ccnc(NC[C@H]2CCC=CO2)c1 ZINC000186698337 385782180 /nfs/dbraw/zinc/78/21/80/385782180.db2.gz BYXISNPQOCASEZ-LLVKDONJSA-N 0 1 204.273 2.495 20 0 BEADMN Fc1cccc(CN2CC3(C2)CCOC3)c1 ZINC000294007637 385784170 /nfs/dbraw/zinc/78/41/70/385784170.db2.gz MRBPECOGCFDELL-UHFFFAOYSA-N 0 1 221.275 2.048 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)C=C2CCC2)n[nH]1 ZINC000270604665 385722205 /nfs/dbraw/zinc/72/22/05/385722205.db2.gz DLAPURHLTMGAMZ-SECBINFHSA-N 0 1 248.330 2.216 20 0 BEADMN Cn1ncc(Cl)c1CN[C@H]1CC12CCCC2 ZINC000309593257 385722477 /nfs/dbraw/zinc/72/24/77/385722477.db2.gz SZMMNIPGWOUYLG-NSHDSACASA-N 0 1 239.750 2.496 20 0 BEADMN C[C@@H]1C[C@H]1CN[C@@H](CO)c1c(F)cccc1F ZINC000488436578 385785278 /nfs/dbraw/zinc/78/52/78/385785278.db2.gz XOEHOAUNFGIXCV-PTRXPTGYSA-N 0 1 241.281 2.244 20 0 BEADMN FC1(F)CCC[C@@H](CNCc2csnn2)C1 ZINC000336710763 385800647 /nfs/dbraw/zinc/80/06/47/385800647.db2.gz RXRJENGWAWBMRE-MRVPVSSYSA-N 0 1 247.314 2.453 20 0 BEADMN CN(Cc1ccn(C)n1)CC1CCCC1 ZINC000271213168 385805366 /nfs/dbraw/zinc/80/53/66/385805366.db2.gz WBOKZPFKKOXECC-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN Cc1occc1CNCc1ccn(C)c1 ZINC000336737656 385810785 /nfs/dbraw/zinc/81/07/85/385810785.db2.gz QKWQVHMCIPWDIP-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN CC(C)C1(CN2C[C@@H](C)S(=O)[C@H](C)C2)CC1 ZINC000602634993 385811133 /nfs/dbraw/zinc/81/11/33/385811133.db2.gz RENBUOOXEFMPIZ-VXGBXAGGSA-N 0 1 243.416 2.264 20 0 BEADMN C[C@H](N(C)Cc1ccn(C)n1)C1(C)CC1 ZINC000271250771 385811197 /nfs/dbraw/zinc/81/11/97/385811197.db2.gz IIQTWBJHSQYOEM-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)nn1 ZINC000283299890 385815449 /nfs/dbraw/zinc/81/54/49/385815449.db2.gz YKMGVTVZKHRLHF-JQWIXIFHSA-N 0 1 235.331 2.248 20 0 BEADMN COc1nccnc1C[N@H+]1CCC[C@H]1C(C)C ZINC000294496324 385857462 /nfs/dbraw/zinc/85/74/62/385857462.db2.gz ANPDEHTXWOKGGK-LBPRGKRZSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@H](CN(C)Cc1scnc1C)OC ZINC000412978035 385824322 /nfs/dbraw/zinc/82/43/22/385824322.db2.gz OTSJDEFQVXQWLB-SNVBAGLBSA-N 0 1 228.361 2.308 20 0 BEADMN Cc1cnn(C)c1CNCc1cscc1C ZINC000336738064 385828993 /nfs/dbraw/zinc/82/89/93/385828993.db2.gz OAHSTAQBRWRJHG-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN CC[C@H](NCc1n[nH]cc1C)c1ccncc1 ZINC000283733935 385830709 /nfs/dbraw/zinc/83/07/09/385830709.db2.gz CNNHBFOARPMGAT-LBPRGKRZSA-N 0 1 230.315 2.354 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC000294276401 385831095 /nfs/dbraw/zinc/83/10/95/385831095.db2.gz UEMMVRMDJXFEFT-BDAKNGLRSA-N 0 1 229.283 2.043 20 0 BEADMN O=C([O-])CCC[N@H+]1CCc2cccc(F)c2C1 ZINC000262145372 385837310 /nfs/dbraw/zinc/83/73/10/385837310.db2.gz QJLOYPXVXWLEKX-UHFFFAOYSA-N 0 1 237.274 2.049 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])C1Cc2ccccc2C1 ZINC000262178955 385837325 /nfs/dbraw/zinc/83/73/25/385837325.db2.gz DMMOIRAGBWUYNG-UHFFFAOYSA-N 0 1 247.338 2.341 20 0 BEADMN Cc1nc(CN[C@H]2CCO[C@H]2C)sc1C ZINC000121473975 385843119 /nfs/dbraw/zinc/84/31/19/385843119.db2.gz AXCQFFPVURLMPR-WPRPVWTQSA-N 0 1 226.345 2.027 20 0 BEADMN CC[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)[O-] ZINC000262369528 385843367 /nfs/dbraw/zinc/84/33/67/385843367.db2.gz IJBSMLLCJJNBNP-ZDUSSCGKSA-N 0 1 233.311 2.298 20 0 BEADMN Cc1ccc(O)c(CN2CCC[C@H]2CF)n1 ZINC000294030490 385791242 /nfs/dbraw/zinc/79/12/42/385791242.db2.gz OCYKUCSMVKMAHC-JTQLQIEISA-N 0 1 224.279 2.030 20 0 BEADMN Cc1ccoc1CN1CCN(C2CCC2)CC1 ZINC000271150376 385792600 /nfs/dbraw/zinc/79/26/00/385792600.db2.gz ASECIGBZLPHRQO-UHFFFAOYSA-N 0 1 234.343 2.258 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2CF)n[nH]1 ZINC000294055056 385795295 /nfs/dbraw/zinc/79/52/95/385795295.db2.gz LRYSRFSLGHEVKW-SECBINFHSA-N 0 1 239.294 2.107 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)[C@@H]2CC2(C)C)n1 ZINC000336740198 385796093 /nfs/dbraw/zinc/79/60/93/385796093.db2.gz MDEYMQLZBSNNBY-WEDXCCLWSA-N 0 1 223.320 2.463 20 0 BEADMN C[C@@H](NC(=O)C[C@H]1C=CCC1)C1=CC[N@@H+](C)CC1 ZINC000272733032 385928566 /nfs/dbraw/zinc/92/85/66/385928566.db2.gz LUIVTZJSXWJCOW-OLZOCXBDSA-N 0 1 248.370 2.109 20 0 BEADMN COc1nccnc1CNCCCC(C)C ZINC000294724125 385887725 /nfs/dbraw/zinc/88/77/25/385887725.db2.gz IKSALXSQFQIAQY-UHFFFAOYSA-N 0 1 223.320 2.011 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000294717816 385887772 /nfs/dbraw/zinc/88/77/72/385887772.db2.gz FXHKJCRRLHMFLW-NEPJUHHUSA-N 0 1 249.358 2.353 20 0 BEADMN COc1nccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)n1 ZINC000294781528 385895545 /nfs/dbraw/zinc/89/55/45/385895545.db2.gz KDBCKDNBCPMGAA-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000294781528 385895550 /nfs/dbraw/zinc/89/55/50/385895550.db2.gz KDBCKDNBCPMGAA-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CCC1(C)CN(C[C@@H](O)CC(F)(F)F)C1 ZINC000307938810 385897691 /nfs/dbraw/zinc/89/76/91/385897691.db2.gz RTGIOVYNUVNJDN-QMMMGPOBSA-N 0 1 225.254 2.032 20 0 BEADMN COc1nccnc1CN1CC[C@@H](CC(C)C)C1 ZINC000294877935 385907792 /nfs/dbraw/zinc/90/77/92/385907792.db2.gz QODMHLVGXAXIQN-LBPRGKRZSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)(C)OCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000272574977 385915511 /nfs/dbraw/zinc/91/55/11/385915511.db2.gz REFLZVBGPKKELK-UHFFFAOYSA-N 0 1 247.298 2.317 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccccc2F)C1 ZINC000285380676 385921803 /nfs/dbraw/zinc/92/18/03/385921803.db2.gz NEEIWNHGFAWTPO-TXEJJXNPSA-N 0 1 223.291 2.435 20 0 BEADMN Cc1cnc(CNCCc2cscn2)s1 ZINC000394727946 385922769 /nfs/dbraw/zinc/92/27/69/385922769.db2.gz LAXMJHUUWCAUCU-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CN(Cc1ccc(Cl)s1)C1(CO)CC1 ZINC000285404831 385923751 /nfs/dbraw/zinc/92/37/51/385923751.db2.gz FLTIZPQDWOTBJX-UHFFFAOYSA-N 0 1 231.748 2.358 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCC2CC2)n1 ZINC000342029614 385924069 /nfs/dbraw/zinc/92/40/69/385924069.db2.gz SRTSBDBEQWNDEU-SNVBAGLBSA-N 0 1 223.320 2.458 20 0 BEADMN c1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285458604 385927026 /nfs/dbraw/zinc/92/70/26/385927026.db2.gz ZCFURYOITOYQSE-OAHLLOKOSA-N 0 1 247.338 2.068 20 0 BEADMN CCC[C@H](C)N(C)Cc1nccnc1OC ZINC000294509559 385859476 /nfs/dbraw/zinc/85/94/76/385859476.db2.gz CPPNBQHIJNNEIE-JTQLQIEISA-N 0 1 223.320 2.106 20 0 BEADMN C[C@@H](NCC1=CCCOC1)c1ccncc1F ZINC000337952044 385860286 /nfs/dbraw/zinc/86/02/86/385860286.db2.gz WNQLBVFDPYHHKO-SNVBAGLBSA-N 0 1 236.290 2.218 20 0 BEADMN CC(C)c1ccoc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000284316704 385861923 /nfs/dbraw/zinc/86/19/23/385861923.db2.gz KNOPJAZTYOITSQ-QMMMGPOBSA-N 0 1 248.286 2.012 20 0 BEADMN C[C@]1(CCCO)CCCN1Cc1nccs1 ZINC000271950448 385863021 /nfs/dbraw/zinc/86/30/21/385863021.db2.gz ASNQDTQWBBSCFZ-GFCCVEGCSA-N 0 1 240.372 2.270 20 0 BEADMN COC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC000284510585 385873481 /nfs/dbraw/zinc/87/34/81/385873481.db2.gz JDBNBYJVRYWHNE-CQSZACIVSA-N 0 1 249.354 2.312 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCCC1CC1 ZINC000643238662 385877651 /nfs/dbraw/zinc/87/76/51/385877651.db2.gz CUSRCPJCYLHARE-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccncc1F ZINC000338011739 385879572 /nfs/dbraw/zinc/87/95/72/385879572.db2.gz OKLURHOWZPRVML-KPXOXKRLSA-N 0 1 238.306 2.031 20 0 BEADMN CC[C@@H](CO)[N@@H+](C)Cc1cc(C)ccc1F ZINC000295141073 385977794 /nfs/dbraw/zinc/97/77/94/385977794.db2.gz PVQLLCQSRAVRON-LBPRGKRZSA-N 0 1 225.307 2.337 20 0 BEADMN Cc1nc(CN(CCO)C2CCC2)sc1C ZINC000221153203 385978810 /nfs/dbraw/zinc/97/88/10/385978810.db2.gz DPGUQNHUPQTDTN-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN C[C@@H]1CNCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000335020201 385980592 /nfs/dbraw/zinc/98/05/92/385980592.db2.gz CYEIHVJPVPCMKF-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN NC1(c2noc(C[C@@H]3CC[C@H]4C[C@H]43)n2)CCCC1 ZINC000414623381 385981991 /nfs/dbraw/zinc/98/19/91/385981991.db2.gz DPCQADWZMCRSAQ-GARJFASQSA-N 0 1 247.342 2.386 20 0 BEADMN CSCC(C)(C)c1nc(C2(N)CCC2)no1 ZINC000414623387 385983207 /nfs/dbraw/zinc/98/32/07/385983207.db2.gz DPHOYGGMGMEYOI-UHFFFAOYSA-N 0 1 241.360 2.048 20 0 BEADMN Cc1cc(C[N@@H+]2CCSCC[C@@H]2C)on1 ZINC000285993920 385985375 /nfs/dbraw/zinc/98/53/75/385985375.db2.gz FYKGPFLQJFNSBI-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN CO[C@@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000414626558 385995092 /nfs/dbraw/zinc/99/50/92/385995092.db2.gz YLVITEADKYFIJS-VHSXEESVSA-N 0 1 241.335 2.459 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414138804 385987978 /nfs/dbraw/zinc/98/79/78/385987978.db2.gz FTUFRQMHILXJLN-ZKYQVNSYSA-N 0 1 249.358 2.047 20 0 BEADMN CCCc1nc(-c2nc(C3(N)CCC3)no2)co1 ZINC000414625499 385992212 /nfs/dbraw/zinc/99/22/12/385992212.db2.gz IMWRCAFIYHJDOP-UHFFFAOYSA-N 0 1 248.286 2.015 20 0 BEADMN CCCc1nsc(NCCCCOCC)n1 ZINC000336767911 385932669 /nfs/dbraw/zinc/93/26/69/385932669.db2.gz QCQQMTHXPWCHGF-UHFFFAOYSA-N 0 1 243.376 2.141 20 0 BEADMN CCCCN1CC[S@@](=O)C(C)(C)CC1 ZINC000335041563 385933924 /nfs/dbraw/zinc/93/39/24/385933924.db2.gz PUEILYQDCMMQID-CQSZACIVSA-N 0 1 217.378 2.020 20 0 BEADMN C[C@@H](C[N@@H+](Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000071736267 385934108 /nfs/dbraw/zinc/93/41/08/385934108.db2.gz OTSMHZWBJWAZEG-NSHDSACASA-N 0 1 233.311 2.372 20 0 BEADMN CC(C)n1cc(CN2CCCSCC2)cn1 ZINC000273368334 385993152 /nfs/dbraw/zinc/99/31/52/385993152.db2.gz FFLPPWVVUXAXGK-UHFFFAOYSA-N 0 1 239.388 2.403 20 0 BEADMN CO[C@H](C)CN(C)Cc1cccc(F)c1F ZINC000285539756 385938941 /nfs/dbraw/zinc/93/89/41/385938941.db2.gz FVSLIUJIBDPPNZ-SECBINFHSA-N 0 1 229.270 2.432 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2CCSC2)n1 ZINC000414610259 385942255 /nfs/dbraw/zinc/94/22/55/385942255.db2.gz BCMSEVBMBJHMOX-DTWKUNHWSA-N 0 1 241.360 2.336 20 0 BEADMN CCC[C@@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000295000447 385942587 /nfs/dbraw/zinc/94/25/87/385942587.db2.gz RSOJYHNQVBITDL-SNVBAGLBSA-N 0 1 242.388 2.437 20 0 BEADMN CSC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414067364 385944946 /nfs/dbraw/zinc/94/49/46/385944946.db2.gz ANOVEAWBRITHSE-ZJUUUORDSA-N 0 1 239.388 2.231 20 0 BEADMN CC(C)CC[C@@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000295022905 385945156 /nfs/dbraw/zinc/94/51/56/385945156.db2.gz CLGGLODKWSWPBK-DGCLKSJQSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@](C)(O)CN[C@@H](C)c1c(F)cncc1F ZINC000285636447 385951316 /nfs/dbraw/zinc/95/13/16/385951316.db2.gz LAAUEQQLADVPBN-UFBFGSQYSA-N 0 1 244.285 2.171 20 0 BEADMN CN(Cc1ccco1)[C@@H](CO)c1ccccc1 ZINC000295034721 385951818 /nfs/dbraw/zinc/95/18/18/385951818.db2.gz MAROSYSHCIUXML-AWEZNQCLSA-N 0 1 231.295 2.445 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@H](C)[C@H](C)C2)s1 ZINC000338301874 385954007 /nfs/dbraw/zinc/95/40/07/385954007.db2.gz APRXVNYUQGGTNY-HRDYMLBCSA-N 0 1 225.361 2.495 20 0 BEADMN Cc1cccc([C@@H](C)N2CC[C@@](F)(CO)C2)c1 ZINC000335059024 385960976 /nfs/dbraw/zinc/96/09/76/385960976.db2.gz BKINVPLPAUBRCU-OCCSQVGLSA-N 0 1 237.318 2.462 20 0 BEADMN NC1(c2noc([C@H]3CCC[C@@H](F)C3)n2)CCC1 ZINC000335059455 385961737 /nfs/dbraw/zinc/96/17/37/385961737.db2.gz MTKQWYAJFLBEHR-DTWKUNHWSA-N 0 1 239.294 2.403 20 0 BEADMN Cc1ccc(-c2n[nH]c(SC[C@@H](C)O)n2)cc1 ZINC000414102702 385964183 /nfs/dbraw/zinc/96/41/83/385964183.db2.gz WBMFEZPOIUSYIY-SECBINFHSA-N 0 1 249.339 2.253 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414108915 385969784 /nfs/dbraw/zinc/96/97/84/385969784.db2.gz KGUQFYNYECPMCD-WCFLWFBJSA-N 0 1 237.347 2.028 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285861695 385971110 /nfs/dbraw/zinc/97/11/10/385971110.db2.gz ZSVBIFSLGPAEIT-XHNCKOQMSA-N 0 1 244.285 2.434 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1ccn(C)n1 ZINC000414123227 385971232 /nfs/dbraw/zinc/97/12/32/385971232.db2.gz JHOQTCISSCKRCM-NSHDSACASA-N 0 1 239.363 2.276 20 0 BEADMN CCC(O)(CC)CCN[C@@H](C)c1ccn(C)n1 ZINC000414125807 385974383 /nfs/dbraw/zinc/97/43/83/385974383.db2.gz DJKQNSYYZIKGCC-NSHDSACASA-N 0 1 239.363 2.012 20 0 BEADMN CS[C@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000414627092 385998219 /nfs/dbraw/zinc/99/82/19/385998219.db2.gz YUONVJGTQHOHGV-MRVPVSSYSA-N 0 1 241.360 2.092 20 0 BEADMN CN(C)c1ccncc1C(=O)NCC1CCCC1 ZINC000273448743 386000979 /nfs/dbraw/zinc/00/09/79/386000979.db2.gz CEFNPGQPZPPMPR-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN CC[C@@H](C)[C@H](C)NCc1nccc(C)n1 ZINC000336750179 386001504 /nfs/dbraw/zinc/00/15/04/386001504.db2.gz DRHOQTBADSQERU-KOLCDFICSA-N 0 1 207.321 2.309 20 0 BEADMN CCc1cncc(-c2nc(C3(N)CCC3)no2)c1 ZINC000414630633 386004611 /nfs/dbraw/zinc/00/46/11/386004611.db2.gz UVJOXVOYWAYSMK-UHFFFAOYSA-N 0 1 244.298 2.032 20 0 BEADMN Cc1nnc([C@@H]2CCCC[N@H+]2CC2CCC2)[nH]1 ZINC000335065851 386005428 /nfs/dbraw/zinc/00/54/28/386005428.db2.gz SKNMACAEDXHGAZ-LBPRGKRZSA-N 0 1 234.347 2.440 20 0 BEADMN Cc1nnc([C@@H]2CCCCN2CC2CCC2)[nH]1 ZINC000335065851 386005433 /nfs/dbraw/zinc/00/54/33/386005433.db2.gz SKNMACAEDXHGAZ-LBPRGKRZSA-N 0 1 234.347 2.440 20 0 BEADMN Cc1nccc(NCCC2(O)CCC2)c1Cl ZINC000336751125 386007047 /nfs/dbraw/zinc/00/70/47/386007047.db2.gz ZYPNRLXPCDZFSK-UHFFFAOYSA-N 0 1 240.734 2.182 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccn(C)n1 ZINC000414115387 386008544 /nfs/dbraw/zinc/00/85/44/386008544.db2.gz UZHOQRWJYFCHGH-GMXVVIOVSA-N 0 1 237.347 2.028 20 0 BEADMN CCCc1cc(-c2nc(C3(N)CCC3)no2)no1 ZINC000414632185 386010739 /nfs/dbraw/zinc/01/07/39/386010739.db2.gz YTBJOHAKYWOIPW-UHFFFAOYSA-N 0 1 248.286 2.015 20 0 BEADMN C[C@H]1C[C@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000335070931 386020130 /nfs/dbraw/zinc/02/01/30/386020130.db2.gz JPTBLWJJRWYETQ-UWVGGRQHSA-N 0 1 235.331 2.386 20 0 BEADMN Cc1[nH]ccc1-c1nc(C2(N)CCCCC2)no1 ZINC000335071556 386022248 /nfs/dbraw/zinc/02/22/48/386022248.db2.gz UWHAEUVAFAXIMK-UHFFFAOYSA-N 0 1 246.314 2.491 20 0 BEADMN Cc1cc(CNCCOCc2ccccc2)on1 ZINC000309722878 386023402 /nfs/dbraw/zinc/02/34/02/386023402.db2.gz MRFFSULJXPUTLF-UHFFFAOYSA-N 0 1 246.310 2.289 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)C[S@@](C)=O)cs1 ZINC000295453230 386035313 /nfs/dbraw/zinc/03/53/13/386035313.db2.gz QJVZZZFUTSJJEK-BJOHPYRUSA-N 0 1 245.413 2.255 20 0 BEADMN C[C@@H](O)C[C@H](C)NCc1c(F)cccc1F ZINC000164563938 386037710 /nfs/dbraw/zinc/03/77/10/386037710.db2.gz QKLOHOPJNKELQQ-DTWKUNHWSA-N 0 1 229.270 2.214 20 0 BEADMN CO[C@H](CN1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000338547354 386040603 /nfs/dbraw/zinc/04/06/03/386040603.db2.gz SRFFURNBJYAKCP-UKRRQHHQSA-N 0 1 248.370 2.010 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC000334438287 386044730 /nfs/dbraw/zinc/04/47/30/386044730.db2.gz SQTDYCZATHFVJT-NSHDSACASA-N 0 1 243.310 2.110 20 0 BEADMN C[C@H](N[C@@H](C)c1ccncc1)c1cn[nH]c1 ZINC000222476718 386046508 /nfs/dbraw/zinc/04/65/08/386046508.db2.gz DODYSNJDWWJRBO-UWVGGRQHSA-N 0 1 216.288 2.217 20 0 BEADMN O=C(CC1CC1)Nc1ccc(F)c(F)c1O ZINC000335077716 386049852 /nfs/dbraw/zinc/04/98/52/386049852.db2.gz UXPHTAFQBWRIPA-UHFFFAOYSA-N 0 1 227.210 2.409 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)CCCC(C)C)n[nH]1 ZINC000414245805 386055344 /nfs/dbraw/zinc/05/53/44/386055344.db2.gz MQRHZKQHRCISNS-XXFAHNHDSA-N 0 1 243.376 2.359 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@H](C)c1csnn1 ZINC000414290639 386102001 /nfs/dbraw/zinc/10/20/01/386102001.db2.gz AFMSSDHJPKXBJN-HLTSFMKQSA-N 0 1 211.334 2.377 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2ccccc2)nn1 ZINC000310108712 386103344 /nfs/dbraw/zinc/10/33/44/386103344.db2.gz QEFRVKSKLBXCSA-WDEREUQCSA-N 0 1 230.315 2.168 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](O)C1)c1cccc(F)c1F ZINC000295902872 386103649 /nfs/dbraw/zinc/10/36/49/386103649.db2.gz IPBDAVBDSCRDPK-HLTSFMKQSA-N 0 1 227.254 2.139 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc(C)on1)[C@@H](O)C(C)C ZINC000414298608 386106672 /nfs/dbraw/zinc/10/66/72/386106672.db2.gz QVFWJWPSECCRDA-GVXVVHGQSA-N 0 1 240.347 2.429 20 0 BEADMN CC[C@H](N[C@H](C)c1cc(C)on1)[C@H](O)C(C)C ZINC000414299087 386106977 /nfs/dbraw/zinc/10/69/77/386106977.db2.gz QVFWJWPSECCRDA-NTZNESFSSA-N 0 1 240.347 2.429 20 0 BEADMN CN(CCOC1CCC1)Cc1ccco1 ZINC000287308045 386110468 /nfs/dbraw/zinc/11/04/68/386110468.db2.gz MZGNGCAGQPMTES-UHFFFAOYSA-N 0 1 209.289 2.281 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1F ZINC000038024807 386115686 /nfs/dbraw/zinc/11/56/86/386115686.db2.gz OFMUITGRKIBKDJ-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN Cn1ccc(CNC/C=C/c2ccc(F)cc2)n1 ZINC000345828294 386116742 /nfs/dbraw/zinc/11/67/42/386116742.db2.gz IZCOJWIQWPBNDF-NSCUHMNNSA-N 0 1 245.301 2.362 20 0 BEADMN CC(C)(C)OCCCCN1CCOCC12CC2 ZINC000338593105 386067465 /nfs/dbraw/zinc/06/74/65/386067465.db2.gz OFZRMAWEWGAINS-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN CCCn1ncnc1CN1CCC[C@H]1C1CC1 ZINC000366091452 386073137 /nfs/dbraw/zinc/07/31/37/386073137.db2.gz ZQWKJEVCBJPVPI-LBPRGKRZSA-N 0 1 234.347 2.063 20 0 BEADMN CCCCN(C)Cc1cnccc1OC ZINC000287447981 386122460 /nfs/dbraw/zinc/12/24/60/386122460.db2.gz VDTXZFCLBDFRJI-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN COC1([C@@H](C)N[C@@H](C)c2nccn2C)CCC1 ZINC000414302238 386079099 /nfs/dbraw/zinc/07/90/99/386079099.db2.gz KHNCXIOOKYJMHD-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN CC1(C)CC[C@@H](CNCc2cscn2)O1 ZINC000189727386 386082756 /nfs/dbraw/zinc/08/27/56/386082756.db2.gz PXIYEUVKGDFHMR-JTQLQIEISA-N 0 1 226.345 2.190 20 0 BEADMN CCc1ncc(CNCc2ccccc2)cn1 ZINC000414264375 386084053 /nfs/dbraw/zinc/08/40/53/386084053.db2.gz KUERUVHWAYWEHM-UHFFFAOYSA-N 0 1 227.311 2.329 20 0 BEADMN CC/C=C/CCN1CCNC(=O)[C@H]1CC(C)C ZINC000189783076 386088751 /nfs/dbraw/zinc/08/87/51/386088751.db2.gz LCVVFVSFYRUDEN-URWSZGRFSA-N 0 1 238.375 2.189 20 0 BEADMN CCC[C@H](O)CN[C@@H](C)c1ncc(C)s1 ZINC000295824819 386092227 /nfs/dbraw/zinc/09/22/27/386092227.db2.gz VOUMWHKCZDBOJW-UWVGGRQHSA-N 0 1 228.361 2.263 20 0 BEADMN COC[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000274380534 386096230 /nfs/dbraw/zinc/09/62/30/386096230.db2.gz SNWCADPTORAESH-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1ncc(C)s1 ZINC000234774659 386099814 /nfs/dbraw/zinc/09/98/14/386099814.db2.gz LLXLOLAWYDRJQL-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1cn[nH]c1CN1CCC[C@@](C)(F)C1 ZINC000296196629 386147308 /nfs/dbraw/zinc/14/73/08/386147308.db2.gz YWPNITVISOZDCQ-LLVKDONJSA-N 0 1 211.284 2.042 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CS3)cn1 ZINC000335153204 386148704 /nfs/dbraw/zinc/14/87/04/386148704.db2.gz FPNKSTSWIGXQTP-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN Cc1ccncc1CCCN(C1CC1)C1COC1 ZINC000296191284 386149568 /nfs/dbraw/zinc/14/95/68/386149568.db2.gz YMCSKNOHKOSOCJ-UHFFFAOYSA-N 0 1 246.354 2.186 20 0 BEADMN CCc1ncc(C[N@@H+](C)[C@@H](C)C2CC2)cn1 ZINC000414367773 386156103 /nfs/dbraw/zinc/15/61/03/386156103.db2.gz FLKPAXZZJOZSTF-JTQLQIEISA-N 0 1 219.332 2.269 20 0 BEADMN CN(Cc1cncs1)[C@H]1CCSC1 ZINC000130506726 386168213 /nfs/dbraw/zinc/16/82/13/386168213.db2.gz ZTGQAYLFUAORNX-QMMMGPOBSA-N 0 1 214.359 2.080 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H](N)c1ccccc1C ZINC000296415867 386172589 /nfs/dbraw/zinc/17/25/89/386172589.db2.gz MGVAWGSDCJGHGD-AWEZNQCLSA-N 0 1 248.370 2.499 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@@](C)(O)C2)c1 ZINC000296440500 386173623 /nfs/dbraw/zinc/17/36/23/386173623.db2.gz ZIXWWAIBZZPCDB-OAHLLOKOSA-N 0 1 247.338 2.236 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000263765103 386175197 /nfs/dbraw/zinc/17/51/97/386175197.db2.gz YPVBZMSYVFOAAP-OLZOCXBDSA-N 0 1 247.338 2.346 20 0 BEADMN CCc1ccc(CN(C)C[C@H]2CCCO2)nc1 ZINC000338913453 386176649 /nfs/dbraw/zinc/17/66/49/386176649.db2.gz IKFWSRBSBVLARP-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CCC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000296528915 386182095 /nfs/dbraw/zinc/18/20/95/386182095.db2.gz QHOXJJDUXOWBPZ-MXPWBENCSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@H](CN1CCNC(=O)[C@H]1C)C1CCCCC1 ZINC000338956875 386184074 /nfs/dbraw/zinc/18/40/74/386184074.db2.gz WDCIXXSJCJVINS-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN COc1cc(C)c(CN2CC(C)C2)cc1OC ZINC000338950984 386184295 /nfs/dbraw/zinc/18/42/95/386184295.db2.gz BJRYEDONDCLNDN-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN C[C@@H]1CC(C(=O)NCc2cnc[nH]2)C[C@@H](C)C1 ZINC000334466449 386126002 /nfs/dbraw/zinc/12/60/02/386126002.db2.gz DHOOVHJSVBBASY-UWVGGRQHSA-N 0 1 235.331 2.098 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncn1 ZINC000414344136 386132858 /nfs/dbraw/zinc/13/28/58/386132858.db2.gz KFBWBRXHVVGHBG-HOSYDEDBSA-N 0 1 229.283 2.276 20 0 BEADMN CO[C@H](CN1CCCC[C@H]1c1cc[nH]n1)C1CC1 ZINC000425463813 386133592 /nfs/dbraw/zinc/13/35/92/386133592.db2.gz YNWFPAZHILBJDL-UONOGXRCSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](CO)C2)no1 ZINC000414341640 386133622 /nfs/dbraw/zinc/13/36/22/386133622.db2.gz OPGJFJMFJUMBKR-SDDRHHMPSA-N 0 1 238.331 2.185 20 0 BEADMN COc1ccncc1CN(C)CCC1CC1 ZINC000287561576 386134049 /nfs/dbraw/zinc/13/40/49/386134049.db2.gz BHCKKDVNUMCZQP-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cc(C)on1)C1CC1 ZINC000282795688 386204847 /nfs/dbraw/zinc/20/48/47/386204847.db2.gz QLMAHJNUVYTDJJ-JOYOIKCWSA-N 0 1 224.304 2.059 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@@H](O)CC2)c1 ZINC000296856634 386207304 /nfs/dbraw/zinc/20/73/04/386207304.db2.gz YPTZURRLPBGGJD-OAHLLOKOSA-N 0 1 247.338 2.236 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@@H]1CCC[C@H](C)C1 ZINC000452060036 386214365 /nfs/dbraw/zinc/21/43/65/386214365.db2.gz LMSDXVAIZQNPPZ-SDDRHHMPSA-N 0 1 248.374 2.194 20 0 BEADMN CSC[C@H](C)NCc1nc(C)cs1 ZINC000125006774 386219329 /nfs/dbraw/zinc/21/93/29/386219329.db2.gz FTFHLXJDTSDDEG-ZETCQYMHSA-N 0 1 216.375 2.293 20 0 BEADMN Cc1cnc([C@@H](C)NCc2cnc[nH]2)s1 ZINC000125179714 386224152 /nfs/dbraw/zinc/22/41/52/386224152.db2.gz FFOJYSIACTUNRZ-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CC(C)N(C)C(=O)c1c(O)cccc1F ZINC000125256034 386237213 /nfs/dbraw/zinc/23/72/13/386237213.db2.gz LYROTKYWNWECGW-UHFFFAOYSA-N 0 1 211.236 2.012 20 0 BEADMN CC[C@H](O)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000339090915 386240489 /nfs/dbraw/zinc/24/04/89/386240489.db2.gz YUPQJCGNKUFSES-UONOGXRCSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H](O)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000264483768 386241887 /nfs/dbraw/zinc/24/18/87/386241887.db2.gz VCNQKKCYZJEPDB-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN CCCCN(CC)Cc1ncc(C)cn1 ZINC000336643989 386245825 /nfs/dbraw/zinc/24/58/25/386245825.db2.gz FFBOVJZRODQFTD-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN C[C@@H](CN1CCc2nn[nH]c2C1)C1CCCCC1 ZINC000339119066 386249392 /nfs/dbraw/zinc/24/93/92/386249392.db2.gz PQWYSTSXTPDEPR-NSHDSACASA-N 0 1 248.374 2.379 20 0 BEADMN Cc1cnn(C)c1CN1CCC[C@H]1c1ccc[nH]1 ZINC000288987959 386249786 /nfs/dbraw/zinc/24/97/86/386249786.db2.gz CXGMCGZOMTULDK-ZDUSSCGKSA-N 0 1 244.342 2.394 20 0 BEADMN CSc1n[nH]c(NC(=O)C[C@H](C)C(C)C)n1 ZINC000263923727 386192752 /nfs/dbraw/zinc/19/27/52/386192752.db2.gz HANSADRQXZRKRS-ZETCQYMHSA-N 0 1 242.348 2.147 20 0 BEADMN CNCc1cn(C[C@@H](C)C2CCCCC2)nn1 ZINC000310516776 386195928 /nfs/dbraw/zinc/19/59/28/386195928.db2.gz VNQDQIFTLJNBFW-LLVKDONJSA-N 0 1 236.363 2.214 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000428101599 386196912 /nfs/dbraw/zinc/19/69/12/386196912.db2.gz KIDVMNWXYRDIEO-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000428101600 386197051 /nfs/dbraw/zinc/19/70/51/386197051.db2.gz KIDVMNWXYRDIEO-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](CF)NCc1cn(C)nc1C(C)(C)C ZINC000288436263 386199367 /nfs/dbraw/zinc/19/93/67/386199367.db2.gz LJQPVYQLBKIPHZ-SECBINFHSA-N 0 1 227.327 2.165 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2ccc(C)cc2)[nH]1 ZINC000264891716 386281179 /nfs/dbraw/zinc/28/11/79/386281179.db2.gz VLGXXVMJVIFYFQ-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN COCc1cc(CN[C@@H](C)CC(C)C)no1 ZINC000297824940 386281541 /nfs/dbraw/zinc/28/15/41/386281541.db2.gz ZFRCBQFQGLFYSZ-JTQLQIEISA-N 0 1 226.320 2.345 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000264907357 386281551 /nfs/dbraw/zinc/28/15/51/386281551.db2.gz YNEDEAJYIYMSRO-KOLCDFICSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H](C)c2ccco2)[nH]1 ZINC000264887435 386281618 /nfs/dbraw/zinc/28/16/18/386281618.db2.gz UTBTXDHAQRIHBR-QMMMGPOBSA-N 0 1 233.271 2.144 20 0 BEADMN CCN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000264886081 386281730 /nfs/dbraw/zinc/28/17/30/386281730.db2.gz SHEANKAJEJGTNC-CYBMUJFWSA-N 0 1 234.343 2.158 20 0 BEADMN CN(CCc1ccccn1)Cc1ccc(F)cn1 ZINC000276205185 386283505 /nfs/dbraw/zinc/28/35/05/386283505.db2.gz JXRKFMLEXMCSBI-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCc1ccc(CN(C)C[C@@H](C)OC)nc1 ZINC000339198199 386288911 /nfs/dbraw/zinc/28/89/11/386288911.db2.gz TVLFVINEOAABRK-LLVKDONJSA-N 0 1 222.332 2.111 20 0 BEADMN Cc1ccc([C@H](NC(=O)CN(C)C)C2CC2)cc1 ZINC000298039777 386292562 /nfs/dbraw/zinc/29/25/62/386292562.db2.gz GBGYSJUPCKNQNM-HNNXBMFYSA-N 0 1 246.354 2.124 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cc(C)n(C)n1 ZINC000336666536 386293879 /nfs/dbraw/zinc/29/38/79/386293879.db2.gz GGTORJAETNDAJQ-LBPRGKRZSA-N 0 1 241.404 2.302 20 0 BEADMN C[C@@H]1CC(C)(C)CN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000335263726 386294338 /nfs/dbraw/zinc/29/43/38/386294338.db2.gz GYVXZRWHMNJELR-SNVBAGLBSA-N 0 1 249.358 2.334 20 0 BEADMN CCc1ccc(CN(CC)[C@H]2CCOC2)nc1 ZINC000339207180 386301133 /nfs/dbraw/zinc/30/11/33/386301133.db2.gz HKCLSACEUPAUPW-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1[nH]nc2ncc(CNCc3ccoc3)cc12 ZINC000339212471 386304530 /nfs/dbraw/zinc/30/45/30/386304530.db2.gz MKINGLUTJJRVAN-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CN(Cc1ccc(F)cn1)C[C@@H]1CCCCO1 ZINC000276364136 386310769 /nfs/dbraw/zinc/31/07/69/386310769.db2.gz MVXPGQHRSKLWHB-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)NCCN1CC=CCC1 ZINC000347274048 386313795 /nfs/dbraw/zinc/31/37/95/386313795.db2.gz YNGNOUBCILIQGF-STQMWFEESA-N 0 1 238.375 2.047 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)C(C)C ZINC000265157769 386314081 /nfs/dbraw/zinc/31/40/81/386314081.db2.gz AISIIRZWSXFPCR-SNVBAGLBSA-N 0 1 223.320 2.191 20 0 BEADMN CCC1(CNC(=O)CCc2cnc[nH]2)CCC1 ZINC000276401827 386316845 /nfs/dbraw/zinc/31/68/45/386316845.db2.gz HMOIVMYDDDZRGH-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CO[C@H](C)CN(Cc1cc(C)no1)C(C)C ZINC000336670305 386316807 /nfs/dbraw/zinc/31/68/07/386316807.db2.gz IUHAEFBNAURFNU-LLVKDONJSA-N 0 1 226.320 2.228 20 0 BEADMN C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@H]1CCOC1 ZINC000265260129 386320895 /nfs/dbraw/zinc/32/08/95/386320895.db2.gz YCZRSMXHXGUHKL-ZFWWWQNUSA-N 0 1 247.338 2.021 20 0 BEADMN CN(C[C@@H]1OCCc2ccccc21)[C@H]1CCOC1 ZINC000265260129 386320903 /nfs/dbraw/zinc/32/09/03/386320903.db2.gz YCZRSMXHXGUHKL-ZFWWWQNUSA-N 0 1 247.338 2.021 20 0 BEADMN CCN(CC(=O)NCc1ccc(C)cc1)C1CC1 ZINC000298319795 386321698 /nfs/dbraw/zinc/32/16/98/386321698.db2.gz SDRTWHXURADSKX-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(C)(F)F ZINC000453281784 386322882 /nfs/dbraw/zinc/32/28/82/386322882.db2.gz HSUDZVBAFVBCRQ-YWVKMMECSA-N 0 1 232.318 2.102 20 0 BEADMN CN(C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416293214 386261983 /nfs/dbraw/zinc/26/19/83/386261983.db2.gz QLKIFHDFIHOEQN-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN Cn1nccc1C1=CCN(Cc2ccco2)CC1 ZINC000289118243 386262295 /nfs/dbraw/zinc/26/22/95/386262295.db2.gz DHVIKSOEWPFXEP-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN Cc1cc(CN(C)C2CCCC2)nn1C ZINC000336650892 386262997 /nfs/dbraw/zinc/26/29/97/386262997.db2.gz UEVRNSUBCAUHNE-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000264812593 386269993 /nfs/dbraw/zinc/26/99/93/386269993.db2.gz BNKOALSLAFKYIB-SNVBAGLBSA-N 0 1 247.346 2.346 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000416316854 386275789 /nfs/dbraw/zinc/27/57/89/386275789.db2.gz HRXDRFCUPAOBOS-GUBZILKMSA-N 0 1 235.331 2.089 20 0 BEADMN CCN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425521229 386324108 /nfs/dbraw/zinc/32/41/08/386324108.db2.gz JUDKLRDHMXOCBD-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@@H](N)c1ccccc1 ZINC000081060693 386278760 /nfs/dbraw/zinc/27/87/60/386278760.db2.gz GPQKIPFPHBBCJY-YPMHNXCESA-N 0 1 234.343 2.095 20 0 BEADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCCC1 ZINC000265472004 386342012 /nfs/dbraw/zinc/34/20/12/386342012.db2.gz XYCZGCAGNUKPJN-UHFFFAOYSA-N 0 1 241.294 2.313 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2c1OCCO2 ZINC000289695264 386343232 /nfs/dbraw/zinc/34/32/32/386343232.db2.gz BLMRMDHXQKNNAT-UHFFFAOYSA-N 0 1 245.282 2.101 20 0 BEADMN CCN(CCO)[C@@H](C)c1ccc(F)cc1F ZINC000265502457 386345336 /nfs/dbraw/zinc/34/53/36/386345336.db2.gz POCRSHWKZDMULJ-VIFPVBQESA-N 0 1 229.270 2.340 20 0 BEADMN C[C@H]1SCCN(Cc2ccno2)[C@H]1C ZINC000265516601 386346655 /nfs/dbraw/zinc/34/66/55/386346655.db2.gz NEQQOWDPYJZXLK-DTWKUNHWSA-N 0 1 212.318 2.000 20 0 BEADMN CCN(C)C(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000298447162 386347112 /nfs/dbraw/zinc/34/71/12/386347112.db2.gz FOFQNIRVVLBBAP-AWEZNQCLSA-N 0 1 246.354 2.084 20 0 BEADMN Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)on1 ZINC000265537410 386347273 /nfs/dbraw/zinc/34/72/73/386347273.db2.gz QRTMVEOHVIJGCV-UWVGGRQHSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)on1 ZINC000265537410 386347281 /nfs/dbraw/zinc/34/72/81/386347281.db2.gz QRTMVEOHVIJGCV-UWVGGRQHSA-N 0 1 226.345 2.309 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)ccc1OC ZINC000339283762 386352118 /nfs/dbraw/zinc/35/21/18/386352118.db2.gz LSMBTTFXETWPON-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN Cc1cccc(NC(=O)N2CCN[C@H](C)C2)c1C ZINC000335270162 386355320 /nfs/dbraw/zinc/35/53/20/386355320.db2.gz CTYIEIIQYJDQGZ-LLVKDONJSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(N(C)C)s1 ZINC000335271795 386359957 /nfs/dbraw/zinc/35/99/57/386359957.db2.gz BXYVIXIKSZLVHL-RKDXNWHRSA-N 0 1 225.361 2.192 20 0 BEADMN CC(C)CCCNC(=O)c1[nH]nc2c1CCC2 ZINC000298577409 386361104 /nfs/dbraw/zinc/36/11/04/386361104.db2.gz KXIYOOOOPUVWAS-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN CCc1ncc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000335272719 386362345 /nfs/dbraw/zinc/36/23/45/386362345.db2.gz PILYAVCLQRPMJR-STQMWFEESA-N 0 1 231.343 2.413 20 0 BEADMN COC(C)(C)CCN[C@H](C)c1nnc(C)s1 ZINC000336774724 386363729 /nfs/dbraw/zinc/36/37/29/386363729.db2.gz XFVRIHXPHWVNNY-MRVPVSSYSA-N 0 1 243.376 2.312 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)nn1 ZINC000335272707 386363771 /nfs/dbraw/zinc/36/37/71/386363771.db2.gz PGISPHYGSIRKFJ-DGCLKSJQSA-N 0 1 217.316 2.159 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)C[C@@H](C)O1 ZINC000347361543 386366285 /nfs/dbraw/zinc/36/62/85/386366285.db2.gz LCWDJJYLQTVCIA-CHWSQXEVSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1cnn([C@@H]2CCN(C/C=C/Cl)C2)c1 ZINC000289883782 386367986 /nfs/dbraw/zinc/36/79/86/386367986.db2.gz MNMGKDJZFODBNT-JRBALWBOSA-N 0 1 225.723 2.191 20 0 BEADMN Cc1cnc(CN2CC[C@H](C3CC3)C2)o1 ZINC000336240134 386374473 /nfs/dbraw/zinc/37/44/73/386374473.db2.gz QQNGEUXNFKSNNB-NSHDSACASA-N 0 1 206.289 2.215 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nnc(C2CC2)[nH]1 ZINC000347389987 386379162 /nfs/dbraw/zinc/37/91/62/386379162.db2.gz HBKAZVFWZXYMJV-VIFPVBQESA-N 0 1 222.336 2.158 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nnc(C2CC2)[nH]1 ZINC000347389985 386380033 /nfs/dbraw/zinc/38/00/33/386380033.db2.gz HBKAZVFWZXYMJV-SECBINFHSA-N 0 1 222.336 2.158 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)n[nH]1 ZINC000298766195 386382450 /nfs/dbraw/zinc/38/24/50/386382450.db2.gz BQWOXRDSYMRRGC-VIFPVBQESA-N 0 1 233.271 2.144 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc(F)ccc1C ZINC000060230403 386382675 /nfs/dbraw/zinc/38/26/75/386382675.db2.gz BBXPJALWKCEAOW-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CC(C)[C@H]1C[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000181574773 386383304 /nfs/dbraw/zinc/38/33/04/386383304.db2.gz DPCPOMPQCPIHQK-LLVKDONJSA-N 0 1 245.388 2.315 20 0 BEADMN CCC[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412900 386327823 /nfs/dbraw/zinc/32/78/23/386327823.db2.gz BNPXSVPMRHQLKK-CMPLNLGQSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)CCO2 ZINC000289582543 386329546 /nfs/dbraw/zinc/32/95/46/386329546.db2.gz STNXBVPTMKRBGJ-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)C2CCCC2)c1C ZINC000265340658 386331046 /nfs/dbraw/zinc/33/10/46/386331046.db2.gz VLAZYOJPVKQRNU-SNVBAGLBSA-N 0 1 235.331 2.335 20 0 BEADMN COc1cc(C)cc(CNCc2n[nH]cc2C)c1 ZINC000289609230 386333414 /nfs/dbraw/zinc/33/34/14/386333414.db2.gz VNPIPKUDVVFQIS-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CCCCN1CCN(c2ncc(C)s2)CC1 ZINC000265401928 386336768 /nfs/dbraw/zinc/33/67/68/386336768.db2.gz AINZYIWDJXJVDP-UHFFFAOYSA-N 0 1 239.388 2.374 20 0 BEADMN CC(C)=CCNCc1cnnn1-c1ccccc1 ZINC000644891414 386337014 /nfs/dbraw/zinc/33/70/14/386337014.db2.gz FWXBMBJVMKIADF-UHFFFAOYSA-N 0 1 242.326 2.323 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](C)CCn2cccn2)o1 ZINC000347488272 386441255 /nfs/dbraw/zinc/44/12/55/386441255.db2.gz ICCOUUWOBSNYCU-PWSUYJOCSA-N 0 1 248.330 2.309 20 0 BEADMN CN(Cc1ccc(CO)o1)Cc1ccc(O)cc1 ZINC000290478138 386441897 /nfs/dbraw/zinc/44/18/97/386441897.db2.gz NXTRKILBLHXKNN-UHFFFAOYSA-N 0 1 247.294 2.110 20 0 BEADMN Cc1nnc(CN2CC[C@@H](c3ccccc3)C2)o1 ZINC000299346990 386442856 /nfs/dbraw/zinc/44/28/56/386442856.db2.gz WQJHHMPWSNBWDR-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CCO ZINC000347545033 386447355 /nfs/dbraw/zinc/44/73/55/386447355.db2.gz UHHPTEUTAAMVKZ-GFCCVEGCSA-N 0 1 223.316 2.070 20 0 BEADMN C[C@@]1(F)CCN(CCOc2ccccc2)C1 ZINC000347405186 386390168 /nfs/dbraw/zinc/39/01/68/386390168.db2.gz HXMNGQRTUDIXCR-CYBMUJFWSA-N 0 1 223.291 2.499 20 0 BEADMN CCCNC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000347354711 386391545 /nfs/dbraw/zinc/39/15/45/386391545.db2.gz PQVCEYFRTBQISI-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN Cn1ccc(CN2CC[C@H]2Cc2ccccc2)n1 ZINC000336705263 386396528 /nfs/dbraw/zinc/39/65/28/386396528.db2.gz HXKDJIQMTVSELR-HNNXBMFYSA-N 0 1 241.338 2.237 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCCO2)n1 ZINC000339388930 386397471 /nfs/dbraw/zinc/39/74/71/386397471.db2.gz LOWIUDPMFNXPLK-NXEZZACHSA-N 0 1 239.319 2.357 20 0 BEADMN Cc1cnc(CN(CC(C)C)C2CC2)nc1 ZINC000336701997 386404384 /nfs/dbraw/zinc/40/43/84/386404384.db2.gz MQXQVSACPXWKSK-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1CC1 ZINC000347443156 386404531 /nfs/dbraw/zinc/40/45/31/386404531.db2.gz SPGMCKLQWFXHSO-UHFFFAOYSA-N 0 1 235.331 2.076 20 0 BEADMN CSCCCc1nc([C@H](N)CC(C)C)no1 ZINC000339397493 386404640 /nfs/dbraw/zinc/40/46/40/386404640.db2.gz XNVUKRHMSKDGKD-SECBINFHSA-N 0 1 243.376 2.411 20 0 BEADMN C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000347445489 386408258 /nfs/dbraw/zinc/40/82/58/386408258.db2.gz SZIYNVMNRBYLJT-AGIUHOORSA-N 0 1 227.348 2.055 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2CC)n1 ZINC000336707496 386410085 /nfs/dbraw/zinc/41/00/85/386410085.db2.gz ORZVITLARAPISV-NSHDSACASA-N 0 1 235.331 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H]2CC)n1 ZINC000336707496 386410092 /nfs/dbraw/zinc/41/00/92/386410092.db2.gz ORZVITLARAPISV-NSHDSACASA-N 0 1 235.331 2.119 20 0 BEADMN CCc1nnc(SCCOCC2CCC2)[nH]1 ZINC000416897880 386411263 /nfs/dbraw/zinc/41/12/63/386411263.db2.gz APRJWXKQTQNHMV-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN CCc1n[nH]c(SCCOCC2CCC2)n1 ZINC000416897880 386411269 /nfs/dbraw/zinc/41/12/69/386411269.db2.gz APRJWXKQTQNHMV-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN Cc1ccoc1CNC[C@@](C)(O)c1ccco1 ZINC000266193437 386411314 /nfs/dbraw/zinc/41/13/14/386411314.db2.gz ZKZFAYWGGFIQSK-CYBMUJFWSA-N 0 1 235.283 2.178 20 0 BEADMN Cc1ccoc1CNC[C@](C)(O)c1ccco1 ZINC000266193439 386411658 /nfs/dbraw/zinc/41/16/58/386411658.db2.gz ZKZFAYWGGFIQSK-ZDUSSCGKSA-N 0 1 235.283 2.178 20 0 BEADMN Cc1ccoc1CNCc1ccc(N(C)C)nc1 ZINC000266241973 386415466 /nfs/dbraw/zinc/41/54/66/386415466.db2.gz XIMXICGQYLQXRL-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)N(CC1CC1)CC1CC1 ZINC000347495331 386421956 /nfs/dbraw/zinc/42/19/56/386421956.db2.gz YGQFTRUELIVBGM-UHFFFAOYSA-N 0 1 246.358 2.304 20 0 BEADMN CC[C@]1(C)CCN(Cc2cc(C)n(C)n2)C1 ZINC000336709919 386423048 /nfs/dbraw/zinc/42/30/48/386423048.db2.gz YAQBWDUPLZFTKR-CYBMUJFWSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnn(CCN(C)Cc2ccoc2C)c1 ZINC000336713654 386429109 /nfs/dbraw/zinc/42/91/09/386429109.db2.gz RIDLYDFHBGHLKR-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN O=C1CCCN1CCN1CC[C@@H]1c1ccccc1 ZINC000336713276 386429458 /nfs/dbraw/zinc/42/94/58/386429458.db2.gz PHJOOEPCIJIPJK-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN CC[C@@H](N[C@@H](C)c1nc(C)no1)C1CC1 ZINC000639097467 386429594 /nfs/dbraw/zinc/42/95/94/386429594.db2.gz LJWYDVKTYJNNSU-OIBJUYFYSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1c[nH]nc1CN(C)C1Cc2ccccc2C1 ZINC000290396283 386429679 /nfs/dbraw/zinc/42/96/79/386429679.db2.gz JXAVWZDZUSFDLO-UHFFFAOYSA-N 0 1 241.338 2.317 20 0 BEADMN O=C1CCCN1CCN1CC[C@H]1c1ccccc1 ZINC000336713273 386430890 /nfs/dbraw/zinc/43/08/90/386430890.db2.gz PHJOOEPCIJIPJK-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN CCc1ncc(CN[C@@H](C)CC(F)(F)F)cn1 ZINC000414432317 386433360 /nfs/dbraw/zinc/43/33/60/386433360.db2.gz MIYDVKUKZJJIHW-QMMMGPOBSA-N 0 1 247.264 2.470 20 0 BEADMN CCOC[C@@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC000336714865 386433860 /nfs/dbraw/zinc/43/38/60/386433860.db2.gz QTKHGZNRQFZWHZ-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCO2)c(C)s1 ZINC000336777740 386434878 /nfs/dbraw/zinc/43/48/78/386434878.db2.gz JJRCKESFRDZWMB-UFBFGSQYSA-N 0 1 240.372 2.417 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](C(C)C)C2)n1 ZINC000336734451 386466775 /nfs/dbraw/zinc/46/67/75/386466775.db2.gz VORNZFWYGOSTEU-NSHDSACASA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](C(C)C)C2)n1 ZINC000336734451 386466780 /nfs/dbraw/zinc/46/67/80/386466780.db2.gz VORNZFWYGOSTEU-NSHDSACASA-N 0 1 249.358 2.223 20 0 BEADMN C[C@@H]1CN(CC[S@@](=O)c2ccccc2)[C@H]1C ZINC000339572164 386469355 /nfs/dbraw/zinc/46/93/55/386469355.db2.gz BUXQIIYVSPCODO-BFQNTYOBSA-N 0 1 237.368 2.134 20 0 BEADMN COc1ncncc1CN([C@H](C)C1CC1)C1CC1 ZINC000648002430 386473045 /nfs/dbraw/zinc/47/30/45/386473045.db2.gz WBKYDGSLADFING-SNVBAGLBSA-N 0 1 247.342 2.248 20 0 BEADMN CC(C)CCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000161559106 386477212 /nfs/dbraw/zinc/47/72/12/386477212.db2.gz QEXQPFNODRBMGJ-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(CN[C@H]2CCC[C@H](F)C2)no1 ZINC000335426095 386480300 /nfs/dbraw/zinc/48/03/00/386480300.db2.gz YLUJNYWYTOXISN-UWVGGRQHSA-N 0 1 212.268 2.353 20 0 BEADMN Cc1ncc(CNCc2ccnc(C)c2)s1 ZINC000391210504 386484162 /nfs/dbraw/zinc/48/41/62/386484162.db2.gz VPVRSDWEUHQIRT-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1nccs1 ZINC000187178794 386485776 /nfs/dbraw/zinc/48/57/76/386485776.db2.gz AVPAYRSWXYDBDE-LNFKQOIKSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@H]1CC[C@H](C)N1C(=O)c1cnc(C2CC2)[nH]1 ZINC000335430311 386486477 /nfs/dbraw/zinc/48/64/77/386486477.db2.gz DHXLRGNYJNNZLX-IUCAKERBSA-N 0 1 233.315 2.300 20 0 BEADMN Cc1cc(CNCC2(C(F)(F)F)CC2)nn1C ZINC000414445121 386489747 /nfs/dbraw/zinc/48/97/47/386489747.db2.gz VXJGBLREXNENTE-UHFFFAOYSA-N 0 1 247.264 2.161 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278124757 386492188 /nfs/dbraw/zinc/49/21/88/386492188.db2.gz BJOMSKCCVASEHM-SECBINFHSA-N 0 1 247.264 2.492 20 0 BEADMN C[C@H]1CNCCN1C(=O)CC1(C)CCCCC1 ZINC000335435512 386493557 /nfs/dbraw/zinc/49/35/57/386493557.db2.gz TWBBXEDUVRXTRX-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ncc(CN2CCC[C@](C)(OC)C2)cn1 ZINC000414445465 386495904 /nfs/dbraw/zinc/49/59/04/386495904.db2.gz MNRXEKCKBNMCAR-AWEZNQCLSA-N 0 1 249.358 2.040 20 0 BEADMN CC(C)(C)c1nc(CN2CCC23CCC3)n[nH]1 ZINC000335439465 386496896 /nfs/dbraw/zinc/49/68/96/386496896.db2.gz BELYSUYUOXJRBG-UHFFFAOYSA-N 0 1 234.347 2.231 20 0 BEADMN CCc1ncc(CN2CCCO[C@H](CC)C2)cn1 ZINC000414446709 386506849 /nfs/dbraw/zinc/50/68/49/386506849.db2.gz OZBDGMDOWPRUHI-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN C[C@@H](CN(C)Cc1cn(C)nn1)c1ccccc1 ZINC000336784182 386507287 /nfs/dbraw/zinc/50/72/87/386507287.db2.gz YVCHLHYDUQRTRH-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@H](CCC(F)(F)F)NCc1ncccn1 ZINC000519620006 386509017 /nfs/dbraw/zinc/50/90/17/386509017.db2.gz XGFAQCIWURTKCI-MRVPVSSYSA-N 0 1 233.237 2.297 20 0 BEADMN CC(C)COCCN1CCc2ccc(O)cc2C1 ZINC000336784719 386512634 /nfs/dbraw/zinc/51/26/34/386512634.db2.gz WAYDRGTVJWYTIE-UHFFFAOYSA-N 0 1 249.354 2.423 20 0 BEADMN CC(C)c1cc(CN[C@H]2CCOC2(C)C)on1 ZINC000645411158 386514069 /nfs/dbraw/zinc/51/40/69/386514069.db2.gz NNEDJQSXPATCBH-LBPRGKRZSA-N 0 1 238.331 2.455 20 0 BEADMN Cc1noc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339677540 386515345 /nfs/dbraw/zinc/51/53/45/386515345.db2.gz JKIDTWPIQZHJKP-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN COCCN(C)Cc1c(C)cccc1OC ZINC000637892442 386520873 /nfs/dbraw/zinc/52/08/73/386520873.db2.gz KOLJFLRXOHBZKA-UHFFFAOYSA-N 0 1 223.316 2.082 20 0 BEADMN Cc1nnc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000339683153 386520901 /nfs/dbraw/zinc/52/09/01/386520901.db2.gz NHPJXVDOHRXGJF-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN CCc1ncc(CN(C(C)C)[C@H]2CCOC2)cn1 ZINC000414448706 386521539 /nfs/dbraw/zinc/52/15/39/386521539.db2.gz BCYHNHSITKZYTM-ZDUSSCGKSA-N 0 1 249.358 2.038 20 0 BEADMN CCOc1nnc(CN[C@H]2CCC[C@H]2C)s1 ZINC000336778265 386456854 /nfs/dbraw/zinc/45/68/54/386456854.db2.gz KWGUVKSUKJGYEK-BDAKNGLRSA-N 0 1 241.360 2.215 20 0 BEADMN CC[C@]1(C)COCCN1C[C@@H]1CCC(C)(C)O1 ZINC000336726100 386460529 /nfs/dbraw/zinc/46/05/29/386460529.db2.gz WDKYJJQDPXVTIE-GXTWGEPZSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1ccc(CNC(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000299516704 386462481 /nfs/dbraw/zinc/46/24/81/386462481.db2.gz KQYVBYOXLZEYIO-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1ccc(CNCc2ccnc(C)c2)nc1 ZINC000391164376 386463207 /nfs/dbraw/zinc/46/32/07/386463207.db2.gz DRZCABSMXDAITE-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN C[C@@H]1CN(Cc2nc(C3CC3)nn2C)C(C)(C)C1 ZINC000335453794 386528334 /nfs/dbraw/zinc/52/83/34/386528334.db2.gz YPKFILBRDGERGA-JTQLQIEISA-N 0 1 248.374 2.313 20 0 BEADMN Cc1cncc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291739866 386576780 /nfs/dbraw/zinc/57/67/80/386576780.db2.gz JYDGBNGVFCLATA-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1sccc1CN1CC(C)(C(N)=O)C1 ZINC000335421540 386593473 /nfs/dbraw/zinc/59/34/73/386593473.db2.gz DCDRMEWVFBVNCN-UHFFFAOYSA-N 0 1 224.329 2.414 20 0 BEADMN Cc1nc(C[S@@](=O)[C@@H](C)c2ccccc2)n[nH]1 ZINC000291860967 386593558 /nfs/dbraw/zinc/59/35/58/386593558.db2.gz GOHZFGGTSUTVAT-HUTHGQBESA-N 0 1 249.339 2.123 20 0 BEADMN C[C@@H](NCc1cnc(N)s1)c1cccc(O)c1 ZINC000519680067 386531024 /nfs/dbraw/zinc/53/10/24/386531024.db2.gz NESCDKXXBXDFBD-MRVPVSSYSA-N 0 1 249.339 2.112 20 0 BEADMN CCN(CC(C)(C)C)C(=O)c1cc(C)[nH]n1 ZINC000291296188 386531923 /nfs/dbraw/zinc/53/19/23/386531923.db2.gz WFAPKMVKZQEPLO-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN CCN(C)C(=O)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000267351560 386533423 /nfs/dbraw/zinc/53/34/23/386533423.db2.gz NQLLFSNKUWETJT-WFASDCNBSA-N 0 1 246.354 2.158 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000335422700 386596689 /nfs/dbraw/zinc/59/66/89/386596689.db2.gz IBHNXJOTPYWRMU-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ncc(C(=O)N(CC2CCC2)C(C)C)[nH]1 ZINC000278508995 386537186 /nfs/dbraw/zinc/53/71/86/386537186.db2.gz XKZPTSLYFXHYOS-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CCOCCCN[C@@H](C)c1c(F)cncc1F ZINC000353225269 386540118 /nfs/dbraw/zinc/54/01/18/386540118.db2.gz DHLWEGYULJDLGM-VIFPVBQESA-N 0 1 244.285 2.437 20 0 BEADMN Cc1cccc(CCN2CCOC3(CCC3)C2)n1 ZINC000335460638 386540791 /nfs/dbraw/zinc/54/07/91/386540791.db2.gz AJQKXBSJSFGJNS-UHFFFAOYSA-N 0 1 246.354 2.187 20 0 BEADMN CCN(CC1CC1)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228086813 386542455 /nfs/dbraw/zinc/54/24/55/386542455.db2.gz ZNFKVSFQBQXKSZ-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000335422701 386596988 /nfs/dbraw/zinc/59/69/88/386596988.db2.gz IBHNXJOTPYWRMU-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN Nc1ccncc1C(=O)NCCCC1CCCC1 ZINC000187383897 386544835 /nfs/dbraw/zinc/54/48/35/386544835.db2.gz CUSMESDWBMZOJW-UHFFFAOYSA-N 0 1 247.342 2.364 20 0 BEADMN c1ccc([C@@H]2C[C@H]2CN2CCOCC2)cc1 ZINC000334154543 386546920 /nfs/dbraw/zinc/54/69/20/386546920.db2.gz RTLUJBOZFHHLEW-KBPBESRZSA-N 0 1 217.312 2.122 20 0 BEADMN Cc1noc(CN[C@]2(C)CCCC[C@H]2C)n1 ZINC000335403202 386558527 /nfs/dbraw/zinc/55/85/27/386558527.db2.gz IJALWDKMWZUGPH-BXKDBHETSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1cn[nH]c1CN(Cc1ccccn1)C1CC1 ZINC000291594673 386558632 /nfs/dbraw/zinc/55/86/32/386558632.db2.gz QCRCICWXQXUQDI-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN Cn1cncc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278640766 386558754 /nfs/dbraw/zinc/55/87/54/386558754.db2.gz GXTVNKISFGUSAA-VIFPVBQESA-N 0 1 247.264 2.194 20 0 BEADMN Cn1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000291590466 386558761 /nfs/dbraw/zinc/55/87/61/386558761.db2.gz PSQUWNGDLWXAHP-KBPBESRZSA-N 0 1 248.370 2.415 20 0 BEADMN Cc1noc(CN[C@]2(C)CCCC[C@@H]2C)n1 ZINC000335403204 386559113 /nfs/dbraw/zinc/55/91/13/386559113.db2.gz IJALWDKMWZUGPH-JOYOIKCWSA-N 0 1 223.320 2.436 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1ccsc1 ZINC001645309124 1172652393 /nfs/dbraw/zinc/65/23/93/1172652393.db2.gz NNKRVIOATYGREN-IHWYPQMZSA-N 0 1 247.323 2.143 20 0 BEADMN CC[N@@H+](CCOC)CCN(C)c1ccccc1 ZINC000267912099 386597657 /nfs/dbraw/zinc/59/76/57/386597657.db2.gz GHNJQIUAEPCPET-UHFFFAOYSA-N 0 1 236.359 2.091 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@@H](C)[C@H]1C ZINC000267631638 386564701 /nfs/dbraw/zinc/56/47/01/386564701.db2.gz GZVQHPNPKNXVSB-NXEZZACHSA-N 0 1 237.299 2.297 20 0 BEADMN CC[C@H](CO)N(C)Cc1cccc(OC)c1F ZINC000379126013 386565818 /nfs/dbraw/zinc/56/58/18/386565818.db2.gz YMOKCTMXYIDFAZ-LLVKDONJSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1ccc2nc(C[N@H+](C)C(C)C)cn2c1 ZINC000267917866 386597862 /nfs/dbraw/zinc/59/78/62/386597862.db2.gz PNXCGSSLAYTOAQ-UHFFFAOYSA-N 0 1 217.316 2.483 20 0 BEADMN Cc1ccc2nc(CN(C)C(C)C)cn2c1 ZINC000267917866 386597866 /nfs/dbraw/zinc/59/78/66/386597866.db2.gz PNXCGSSLAYTOAQ-UHFFFAOYSA-N 0 1 217.316 2.483 20 0 BEADMN CCN(C(=O)[C@H]1CCCc2[nH]ncc21)C(C)C ZINC000268131087 386621535 /nfs/dbraw/zinc/62/15/35/386621535.db2.gz FNHFAMBGUCBPMH-JTQLQIEISA-N 0 1 235.331 2.087 20 0 BEADMN CC(C)N(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000268164439 386624308 /nfs/dbraw/zinc/62/43/08/386624308.db2.gz QQWZTEMMAXIHHL-LLVKDONJSA-N 0 1 247.342 2.229 20 0 BEADMN Cc1cc(CC(=O)NCC2(C)CCCCC2)[nH]n1 ZINC000268181294 386628178 /nfs/dbraw/zinc/62/81/78/386628178.db2.gz WPSDHSXXOFZRLK-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CC[C@@H](C)CONC(=O)c1n[nH]c2ccccc21 ZINC000292164153 386628538 /nfs/dbraw/zinc/62/85/38/386628538.db2.gz LFIWFYWLEUUPQV-SECBINFHSA-N 0 1 247.298 2.270 20 0 BEADMN CCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCC1 ZINC000268232082 386632790 /nfs/dbraw/zinc/63/27/90/386632790.db2.gz SLRFYMIODSZGTF-JTQLQIEISA-N 0 1 247.342 2.279 20 0 BEADMN Cc1nnc(C[N@@H+](C)C[C@@H](C)c2ccccc2)[nH]1 ZINC000268268826 386636891 /nfs/dbraw/zinc/63/68/91/386636891.db2.gz GWVXJKNVXSOTBZ-LLVKDONJSA-N 0 1 244.342 2.349 20 0 BEADMN CC[C@@H](C)CN1CCNC(=O)[C@H]1c1ccccc1 ZINC000246209933 386638448 /nfs/dbraw/zinc/63/84/48/386638448.db2.gz KBWIDFVOAANRAG-TZMCWYRMSA-N 0 1 246.354 2.206 20 0 BEADMN c1ncn2ccc(-c3noc(C4CC4)n3)cc12 ZINC000279158818 386639755 /nfs/dbraw/zinc/63/97/55/386639755.db2.gz CLHBQEIRPWHEDT-UHFFFAOYSA-N 0 1 226.239 2.262 20 0 BEADMN CCc1ncc(CN2CC[C@H]2C2CC2)cn1 ZINC000414469452 386641581 /nfs/dbraw/zinc/64/15/81/386641581.db2.gz MFYAFHLYXQLANY-LBPRGKRZSA-N 0 1 217.316 2.023 20 0 BEADMN CC(C)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000279178224 386643304 /nfs/dbraw/zinc/64/33/04/386643304.db2.gz HYLKRUGYRJWETM-UHFFFAOYSA-N 0 1 248.261 2.205 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(C2CC2)ccn1)N(C)C ZINC000292272011 386644168 /nfs/dbraw/zinc/64/41/68/386644168.db2.gz QGRDCLCVKZMAEH-LBPRGKRZSA-N 0 1 247.342 2.238 20 0 BEADMN C[C@H]1CN(C(=O)CC2(C)CCCCC2)CCN1 ZINC000335510329 386644927 /nfs/dbraw/zinc/64/49/27/386644927.db2.gz MPUQDRNJXKYIDW-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC000335510724 386645036 /nfs/dbraw/zinc/64/50/36/386645036.db2.gz PHVKGEMRQWTRPP-GFCCVEGCSA-N 0 1 219.332 2.422 20 0 BEADMN CCC1CN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000453598454 386646010 /nfs/dbraw/zinc/64/60/10/386646010.db2.gz AAEDXBYFSGKFJB-UHFFFAOYSA-N 0 1 249.310 2.266 20 0 BEADMN Cc1nc(CN([C@@H](C)c2ccco2)C2CC2)n[nH]1 ZINC000292303976 386646164 /nfs/dbraw/zinc/64/61/64/386646164.db2.gz ACZSAKYWKKFWPX-VIFPVBQESA-N 0 1 246.314 2.432 20 0 BEADMN CC(C)c1nc(CN(C)Cc2ccco2)n[nH]1 ZINC000292300130 386647761 /nfs/dbraw/zinc/64/77/61/386647761.db2.gz ZUFOBWVTUDXMPI-UHFFFAOYSA-N 0 1 234.303 2.153 20 0 BEADMN Cc1nc(CN2CCc3cc(C)c(C)cc32)n[nH]1 ZINC000292323905 386649096 /nfs/dbraw/zinc/64/90/96/386649096.db2.gz BCJXFPCNUDARFV-UHFFFAOYSA-N 0 1 242.326 2.293 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1nccn1C ZINC000187845952 386604641 /nfs/dbraw/zinc/60/46/41/386604641.db2.gz SJQRNSSZJRNYTP-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN COC[C@H](N[C@@H]1CS[C@H](C)C1)c1ccco1 ZINC000638722754 386608728 /nfs/dbraw/zinc/60/87/28/386608728.db2.gz VIBJYKOCVISBQQ-VWYCJHECSA-N 0 1 241.356 2.451 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000268015128 386609799 /nfs/dbraw/zinc/60/97/99/386609799.db2.gz AUOYYEIPLZLSDO-ZJUUUORDSA-N 0 1 237.347 2.202 20 0 BEADMN Cc1csc(CN2CCCC[C@@H]2[C@H](C)O)n1 ZINC000268024769 386610698 /nfs/dbraw/zinc/61/06/98/386610698.db2.gz KFVNXMROBQGJLW-WDEREUQCSA-N 0 1 240.372 2.187 20 0 BEADMN CCC1(CC)CCN(Cc2ncc[nH]2)C1 ZINC000268048665 386612789 /nfs/dbraw/zinc/61/27/89/386612789.db2.gz UBTNSRINUGBRJT-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CN(C(=O)c1cccc2[nH]cnc21)C(C)(C)C ZINC000335522478 386663454 /nfs/dbraw/zinc/66/34/54/386663454.db2.gz VSQVDQCGIYQLFW-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H](C)CC(C)C ZINC000337226591 386666156 /nfs/dbraw/zinc/66/61/56/386666156.db2.gz FZSXNEMTRMSSSK-QWRGUYRKSA-N 0 1 215.337 2.162 20 0 BEADMN Cc1cnc(CN2[C@H](C)CC[C@H]2C)nc1 ZINC000335524880 386669410 /nfs/dbraw/zinc/66/94/10/386669410.db2.gz JULSWZAXIHONGG-GHMZBOCLSA-N 0 1 205.305 2.158 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@@H]1NCc1ncc[nH]1 ZINC000337236069 386682357 /nfs/dbraw/zinc/68/23/57/386682357.db2.gz BBSLOPKRBOUFEX-DTWKUNHWSA-N 0 1 245.273 2.050 20 0 BEADMN C(=C/c1ccncc1)\CNCc1ccco1 ZINC000336647871 386677214 /nfs/dbraw/zinc/67/72/14/386677214.db2.gz CGCUWHGXRJBVPM-HNQUOIGGSA-N 0 1 214.268 2.478 20 0 BEADMN CO[C@@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000279407493 386677376 /nfs/dbraw/zinc/67/73/76/386677376.db2.gz VOVPIIFAFINNFX-YPMHNXCESA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000292520118 386680908 /nfs/dbraw/zinc/68/09/08/386680908.db2.gz WFCSJALEYCDLLO-GXFFZTMASA-N 0 1 241.281 2.483 20 0 BEADMN Cc1nc(CNC2(c3ccccc3)CCC2)n[nH]1 ZINC000292521439 386681626 /nfs/dbraw/zinc/68/16/26/386681626.db2.gz OEZUWBGIFXGAHE-UHFFFAOYSA-N 0 1 242.326 2.282 20 0 BEADMN FC(F)O[C@H]1CCCC[C@H]1NCc1ncc[nH]1 ZINC000337236067 386681937 /nfs/dbraw/zinc/68/19/37/386681937.db2.gz BBSLOPKRBOUFEX-BDAKNGLRSA-N 0 1 245.273 2.050 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@H]1NCc1ncc[nH]1 ZINC000337236073 386681977 /nfs/dbraw/zinc/68/19/77/386681977.db2.gz BBSLOPKRBOUFEX-RKDXNWHRSA-N 0 1 245.273 2.050 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cn(CC2CC2)nn1 ZINC000450762481 386681932 /nfs/dbraw/zinc/68/19/32/386681932.db2.gz HAKNEECARKMNGK-FZMZJTMJSA-N 0 1 248.374 2.309 20 0 BEADMN CCc1ccc(CN2CCCO[C@@H](CF)C2)o1 ZINC000414473546 386657655 /nfs/dbraw/zinc/65/76/55/386657655.db2.gz AUMIEZQNNWODHO-ZDUSSCGKSA-N 0 1 241.306 2.402 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000450761333 386683312 /nfs/dbraw/zinc/68/33/12/386683312.db2.gz RDYJVAWNOVDMGA-QJPTWQEYSA-N 0 1 249.358 2.400 20 0 BEADMN Cn1c(SCCCC(C)(C)C)n[nH]c1=O ZINC000337270439 386686439 /nfs/dbraw/zinc/68/64/39/386686439.db2.gz MRMDEHODCXQFEA-UHFFFAOYSA-N 0 1 229.349 2.439 20 0 BEADMN CC[C@H]1CCN1Cc1ccc(OC)nc1 ZINC000292558022 386688902 /nfs/dbraw/zinc/68/89/02/386688902.db2.gz ZCIVYYZREPQNLQ-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc(F)c1F)N(C)C ZINC000268749517 386690767 /nfs/dbraw/zinc/69/07/67/386690767.db2.gz UHLSZSNUQSOZFD-JTQLQIEISA-N 0 1 242.269 2.244 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@@H](F)C1 ZINC000335477696 386704004 /nfs/dbraw/zinc/70/40/04/386704004.db2.gz XVCJRVLXJYRSJJ-MRVPVSSYSA-N 0 1 243.665 2.230 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000268854562 386707819 /nfs/dbraw/zinc/70/78/19/386707819.db2.gz CRIFGHXGJTWVGP-VXGBXAGGSA-N 0 1 247.342 2.156 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000268854558 386708186 /nfs/dbraw/zinc/70/81/86/386708186.db2.gz CRIFGHXGJTWVGP-NWDGAFQWSA-N 0 1 247.342 2.156 20 0 BEADMN CC1=C(C)C[C@H](C(=O)NCc2cnc[nH]2)CC1 ZINC000335545631 386730654 /nfs/dbraw/zinc/73/06/54/386730654.db2.gz NSECAQDFMYDUNA-LLVKDONJSA-N 0 1 233.315 2.162 20 0 BEADMN Cn1nccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000279741664 386730974 /nfs/dbraw/zinc/73/09/74/386730974.db2.gz OVBORQDNMCGSFQ-UHFFFAOYSA-N 0 1 239.388 2.138 20 0 BEADMN Cl/C=C/CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000268992198 386733529 /nfs/dbraw/zinc/73/35/29/386733529.db2.gz SJALOTJRVIICLU-YWNRKNDBSA-N 0 1 225.723 2.342 20 0 BEADMN CC(C)(C)OC(=O)[C@@H]1CCN(CC2(F)CC2)C1 ZINC000526971030 386714307 /nfs/dbraw/zinc/71/43/07/386714307.db2.gz MVYKFMDFBLUXEC-SNVBAGLBSA-N 0 1 243.322 2.152 20 0 BEADMN CCc1ccc(CN2CCCOC[C@@H]2C)nc1 ZINC000645099243 386716483 /nfs/dbraw/zinc/71/64/83/386716483.db2.gz VQVXHRPAHHOYRP-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN CC[C@H]1CCC[C@H](NCC(F)(F)CN)C1 ZINC000414928125 386718159 /nfs/dbraw/zinc/71/81/59/386718159.db2.gz LWNJRKUAFQMRIK-UWVGGRQHSA-N 0 1 220.307 2.139 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000520672253 386724655 /nfs/dbraw/zinc/72/46/55/386724655.db2.gz MTQSTUPGJXBJRO-CYZMBNFOSA-N 0 1 239.359 2.472 20 0 BEADMN CCC[C@](C)(CC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000279713376 386725139 /nfs/dbraw/zinc/72/51/39/386725139.db2.gz APRXSFRXPWWCIZ-CABZTGNLSA-N 0 1 238.335 2.198 20 0 BEADMN Cc1nocc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000334149384 386749738 /nfs/dbraw/zinc/74/97/38/386749738.db2.gz HJCDNAFSPIUPRE-NSHDSACASA-N 0 1 206.289 2.215 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC2(C1)CCCCC2 ZINC000237484168 386750726 /nfs/dbraw/zinc/75/07/26/386750726.db2.gz JXUAAMPMFYTXRV-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000279903290 386753766 /nfs/dbraw/zinc/75/37/66/386753766.db2.gz MTHDCBIQMLRDBI-JQWIXIFHSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1ccc(CCNCc2cocn2)cc1 ZINC000192314607 386762897 /nfs/dbraw/zinc/76/28/97/386762897.db2.gz KSMAQOMRYMATKR-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN C[C@@H](C(N)=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000330504651 386763398 /nfs/dbraw/zinc/76/33/98/386763398.db2.gz IIQLWUSWEYIWJT-JQWIXIFHSA-N 0 1 233.315 2.097 20 0 BEADMN FCCNCc1cc(F)cc2cccnc21 ZINC000336665971 386764502 /nfs/dbraw/zinc/76/45/02/386764502.db2.gz FCTFXYPUKAHFEN-UHFFFAOYSA-N 0 1 222.238 2.433 20 0 BEADMN CCO[C@H](CCNCc1cocn1)C(C)C ZINC000192321502 386765374 /nfs/dbraw/zinc/76/53/74/386765374.db2.gz VNVJAGRQJQAQFN-GFCCVEGCSA-N 0 1 226.320 2.215 20 0 BEADMN CCC1CCN(Cc2cncnc2OC)CC1 ZINC000648003695 386769014 /nfs/dbraw/zinc/76/90/14/386769014.db2.gz WMNXIDMWLJWUBB-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000269049000 386742717 /nfs/dbraw/zinc/74/27/17/386742717.db2.gz ZSJOYZYNGYOGGN-SNVBAGLBSA-N 0 1 233.315 2.094 20 0 BEADMN COc1ccc(F)c(CNCc2cc(C)[nH]n2)c1 ZINC000645156597 386794054 /nfs/dbraw/zinc/79/40/54/386794054.db2.gz ANDKCZLVKVLTSD-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN Cc1ccncc1CN1CCS[C@H](C)C1 ZINC000269462980 386795964 /nfs/dbraw/zinc/79/59/64/386795964.db2.gz HWPDNDDLQXJTKO-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CO[C@@H](CNCc1c(F)cccc1F)C1CC1 ZINC000293220200 386771398 /nfs/dbraw/zinc/77/13/98/386771398.db2.gz YSQJDEBJOKRVBZ-ZDUSSCGKSA-N 0 1 241.281 2.479 20 0 BEADMN Cc1ncsc1CN1CCCO[C@H](CF)C1 ZINC000334637859 386773907 /nfs/dbraw/zinc/77/39/07/386773907.db2.gz QXQLSABVATZYGE-SNVBAGLBSA-N 0 1 244.335 2.012 20 0 BEADMN Cc1nc(C)c(NC(=O)c2ncccc2O)s1 ZINC000340811656 386779774 /nfs/dbraw/zinc/77/97/74/386779774.db2.gz FKNSVEYAVJMNRV-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1F ZINC000269326926 386780228 /nfs/dbraw/zinc/78/02/28/386780228.db2.gz AEZGIGSGKWSORX-CYBMUJFWSA-N 0 1 237.318 2.338 20 0 BEADMN CCCC[C@H](CC)NCC(F)(F)CN ZINC000414933350 386782939 /nfs/dbraw/zinc/78/29/39/386782939.db2.gz TTYLHLBHYMMAMT-VIFPVBQESA-N 0 1 208.296 2.139 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2F)[C@H]1C ZINC000293202021 386786857 /nfs/dbraw/zinc/78/68/57/386786857.db2.gz XSDLBMRGACJDTI-GBIKHYSHSA-N 0 1 223.291 2.199 20 0 BEADMN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000330611409 386787227 /nfs/dbraw/zinc/78/72/27/386787227.db2.gz OUWPFVVQWAPBQK-GHMZBOCLSA-N 0 1 239.363 2.103 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H](C)C[C@H]1C ZINC000353748430 386816428 /nfs/dbraw/zinc/81/64/28/386816428.db2.gz SBDJSDXSBLVKTR-VHSXEESVSA-N 0 1 237.299 2.297 20 0 BEADMN CC(C)C[C@H](C)C(=O)NCCN1CC=CCC1 ZINC000357636912 386819082 /nfs/dbraw/zinc/81/90/82/386819082.db2.gz RKOLOQQKNAVMIU-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@@H]1C[C@H]1C ZINC000398380720 386819028 /nfs/dbraw/zinc/81/90/28/386819028.db2.gz NAXFLJFYLAMNTH-LURQLKTLSA-N 0 1 211.334 2.233 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@H]1CCn2ccnc21 ZINC000395360827 386821288 /nfs/dbraw/zinc/82/12/88/386821288.db2.gz LUQZAPWTCABAQW-GRYCIOLGSA-N 0 1 219.332 2.352 20 0 BEADMN O[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000639397291 386797528 /nfs/dbraw/zinc/79/75/28/386797528.db2.gz PHKCPSBDHJKBLY-CMPLNLGQSA-N 0 1 246.310 2.221 20 0 BEADMN CC[C@@H]1CCN(Cc2ncc(C)cn2)[C@@H]1C ZINC001645351333 1172655981 /nfs/dbraw/zinc/65/59/81/1172655981.db2.gz HXNYBZXHFXSVOR-VXGBXAGGSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@H](CC1CC1)NC(=O)c1ccc2cncn2c1 ZINC000339930625 386805247 /nfs/dbraw/zinc/80/52/47/386805247.db2.gz OJIBNZOFNPXGNI-SNVBAGLBSA-N 0 1 243.310 2.253 20 0 BEADMN Cn1ccc(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000280392641 386811917 /nfs/dbraw/zinc/81/19/17/386811917.db2.gz GHJDESXDCWTZPG-CYBMUJFWSA-N 0 1 236.359 2.272 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000280461363 386814371 /nfs/dbraw/zinc/81/43/71/386814371.db2.gz ZUSVYDWXUJWGJT-AAEUAGOBSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)c1[nH]nc2c1CCC2 ZINC000329941550 386815887 /nfs/dbraw/zinc/81/58/87/386815887.db2.gz GSRTWQGGPOPFTJ-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCC1)c1csnn1 ZINC000398438670 386825698 /nfs/dbraw/zinc/82/56/98/386825698.db2.gz WXALURQHZUVXIT-JGVFFNPUSA-N 0 1 211.334 2.377 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(F)c(C)c1 ZINC000293531235 386832583 /nfs/dbraw/zinc/83/25/83/386832583.db2.gz BXKJJHBHFWDYTD-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN CC(C)c1nc(CS[C@@H]2CCO[C@@H]2C)n[nH]1 ZINC000330195373 386833901 /nfs/dbraw/zinc/83/39/01/386833901.db2.gz PCTZMBNJMIUAHF-RKDXNWHRSA-N 0 1 241.360 2.339 20 0 BEADMN CC(C)c1nc(CS[C@@H]2CCO[C@H]2C)n[nH]1 ZINC000330195371 386836928 /nfs/dbraw/zinc/83/69/28/386836928.db2.gz PCTZMBNJMIUAHF-DTWKUNHWSA-N 0 1 241.360 2.339 20 0 BEADMN COC[C@@H]1CC[N@H+]1CCCc1ccccc1OC ZINC000293567599 386838549 /nfs/dbraw/zinc/83/85/49/386838549.db2.gz MSPSWZMLJCQSQO-AWEZNQCLSA-N 0 1 249.354 2.349 20 0 BEADMN CN(Cc1nnc[nH]1)c1nc2ccccc2s1 ZINC000301368501 386839533 /nfs/dbraw/zinc/83/95/33/386839533.db2.gz RXNVVPBDMRYVFM-UHFFFAOYSA-N 0 1 245.311 2.051 20 0 BEADMN C[C@H]1CN(CCC2=CCCCC2)CC(=O)N1C ZINC000450921072 386841416 /nfs/dbraw/zinc/84/14/16/386841416.db2.gz DKSGVHSQEFRSRI-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1sccc1CN(C)[C@@H](C)C[S@@](C)=O ZINC000293606878 386846352 /nfs/dbraw/zinc/84/63/52/386846352.db2.gz LMVHOQSEHYRTSH-BJOHPYRUSA-N 0 1 245.413 2.255 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1c1nc(N)nc2c1CCCC2 ZINC000645186208 386849939 /nfs/dbraw/zinc/84/99/39/386849939.db2.gz PLDCTELYKAEBDP-VHSXEESVSA-N 0 1 246.358 2.003 20 0 BEADMN CS[C@@H]1CC[C@H]1N[C@@H](C)c1ccon1 ZINC000425336716 386850616 /nfs/dbraw/zinc/85/06/16/386850616.db2.gz LQILLDQJGGGXKS-FXBDTBDDSA-N 0 1 212.318 2.219 20 0 BEADMN CC1(C)COCCN1CC1CC(F)(F)C1 ZINC000334788836 386851013 /nfs/dbraw/zinc/85/10/13/386851013.db2.gz ZANFPAJHYOPWOK-UHFFFAOYSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1ccsc1CN(C)Cc1cnc[nH]1 ZINC000349521645 386852025 /nfs/dbraw/zinc/85/20/25/386852025.db2.gz KQKVBXFYSASZGB-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CC[C@@H]1CCN(c2nc(N)nc3c2CCCC3)C1 ZINC000645188413 386852388 /nfs/dbraw/zinc/85/23/88/386852388.db2.gz QXOMZFWEPAKOFL-SNVBAGLBSA-N 0 1 246.358 2.004 20 0 BEADMN CC(C)(C)[C@@H](O)CSc1nc(C2CC2)n[nH]1 ZINC000331751357 386891580 /nfs/dbraw/zinc/89/15/80/386891580.db2.gz GNGYIYGCCYABEE-QMMMGPOBSA-N 0 1 241.360 2.181 20 0 BEADMN CC(C)(C)[C@@H](O)CSc1n[nH]c(C2CC2)n1 ZINC000331751357 386891583 /nfs/dbraw/zinc/89/15/83/386891583.db2.gz GNGYIYGCCYABEE-QMMMGPOBSA-N 0 1 241.360 2.181 20 0 BEADMN Clc1cccnc1N1CC[C@H](N2CC=CC2)C1 ZINC000301563706 386855714 /nfs/dbraw/zinc/85/57/14/386855714.db2.gz LIAQMTLMZOOSCD-NSHDSACASA-N 0 1 249.745 2.186 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN1CC(O)(C(F)F)C1 ZINC000425344148 386856568 /nfs/dbraw/zinc/85/65/68/386856568.db2.gz BNCOVEKZZRUBLV-WDEREUQCSA-N 0 1 245.313 2.291 20 0 BEADMN Fc1ccccc1CN1CC2(C1)CCOCC2 ZINC000334791878 386858427 /nfs/dbraw/zinc/85/84/27/386858427.db2.gz JRIKAAGNVBHPMG-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2cnns2)C1 ZINC000334793645 386860793 /nfs/dbraw/zinc/86/07/93/386860793.db2.gz DCGGUAQMNJLMTB-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN COC[C@@H]1CCN1CC1=Cc2ccccc2OC1 ZINC000293687480 386861496 /nfs/dbraw/zinc/86/14/96/386861496.db2.gz QHZJLEXAIKQFEG-AWEZNQCLSA-N 0 1 245.322 2.183 20 0 BEADMN CCC(=O)N1CCN(C[C@H]2CCCC[C@H]2C)C1 ZINC000425346936 386861581 /nfs/dbraw/zinc/86/15/81/386861581.db2.gz JYCMPHLCZJAZOJ-CHWSQXEVSA-N 0 1 238.375 2.324 20 0 BEADMN CCC(=O)N1CCN(C[C@@H]2CCCC[C@H]2C)C1 ZINC000425346937 386861658 /nfs/dbraw/zinc/86/16/58/386861658.db2.gz JYCMPHLCZJAZOJ-OLZOCXBDSA-N 0 1 238.375 2.324 20 0 BEADMN Fc1cccc(CN2CC3(C2)CCOCC3)c1 ZINC000334794621 386862484 /nfs/dbraw/zinc/86/24/84/386862484.db2.gz CCMKYVZYDPQAOK-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN CC1(C(=O)NCCN2CCC2)CCCCCC1 ZINC000357941672 386868925 /nfs/dbraw/zinc/86/89/25/386868925.db2.gz COJQGMZVCDNLSY-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(C)c(OC)c1 ZINC000293743497 386871995 /nfs/dbraw/zinc/87/19/95/386871995.db2.gz WCFYSYUKGFLYCW-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000330744404 386877920 /nfs/dbraw/zinc/87/79/20/386877920.db2.gz UXXVFZNVHAMXRW-LURJTMIESA-N 0 1 247.245 2.019 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)C2CCCCC2)n[nH]1 ZINC000334836297 386877957 /nfs/dbraw/zinc/87/79/57/386877957.db2.gz LYGRSXBNVOPOHH-ZKANADHPSA-N 0 1 241.360 2.256 20 0 BEADMN Cc1occc1CN1CCOCC2(CC2)C1 ZINC000334837546 386880054 /nfs/dbraw/zinc/88/00/54/386880054.db2.gz YZEAANQHUUADSP-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CCN(CC(=O)NC[C@H]1CC[C@H](C)C1)C1CC1 ZINC000358046565 386884003 /nfs/dbraw/zinc/88/40/03/386884003.db2.gz VJNUBKRZGKPCTP-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(CN2CCS[C@@H](C)[C@@H]2C)nn1 ZINC000334841117 386885705 /nfs/dbraw/zinc/88/57/05/386885705.db2.gz MTGKIFOTNSYSMP-QWRGUYRKSA-N 0 1 237.372 2.111 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)N1CCCN(C)CC1 ZINC000335758560 386885992 /nfs/dbraw/zinc/88/59/92/386885992.db2.gz DOANZIDKRNVOLK-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)c1ncc(CN2C[C@H](O)C[C@H]2C)s1 ZINC000334841017 386886242 /nfs/dbraw/zinc/88/62/42/386886242.db2.gz XXCYYSFDSMTCLF-NXEZZACHSA-N 0 1 240.372 2.222 20 0 BEADMN Cc1cnc(CN[C@H]2CCCC(F)(F)C2)n1C ZINC000341371346 386895174 /nfs/dbraw/zinc/89/51/74/386895174.db2.gz ZZNUJWMARAFDQR-JTQLQIEISA-N 0 1 243.301 2.396 20 0 BEADMN C[C@@H](C(=O)N(C)C)[N@H+]1CCCC2(CCCC2)C1 ZINC000335769450 386914086 /nfs/dbraw/zinc/91/40/86/386914086.db2.gz WLPGTBGZAUILRW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cn[nH]c1CN1CC[C@@H](C)C(F)(F)C1 ZINC000335769319 386914243 /nfs/dbraw/zinc/91/42/43/386914243.db2.gz JKWAGFMQXPLTSE-SECBINFHSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cncc(CN2CCc3ncccc3C2)c1 ZINC000367860415 386914759 /nfs/dbraw/zinc/91/47/59/386914759.db2.gz SYNAZPYFXDGYLH-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN C[C@H]1CCC[C@@H](Nc2ccncc2C(N)=O)C1 ZINC000302231970 386917338 /nfs/dbraw/zinc/91/73/38/386917338.db2.gz SGEICAMPJNSGMK-VHSXEESVSA-N 0 1 233.315 2.171 20 0 BEADMN CC(C)C1(NC(=O)c2ccc3cncn3c2)CC1 ZINC000293879036 386896358 /nfs/dbraw/zinc/89/63/58/386896358.db2.gz IJXDMXBMYHSFPK-UHFFFAOYSA-N 0 1 243.310 2.253 20 0 BEADMN CN(C[C@@H]1CC=CCC1)c1ncnc2[nH]cnc21 ZINC000302151595 386908630 /nfs/dbraw/zinc/90/86/30/386908630.db2.gz MDBCTHLTUWDYAO-SNVBAGLBSA-N 0 1 243.314 2.145 20 0 BEADMN CCc1cccc(NC(=O)N2CCN[C@H](C)C2)c1 ZINC000334857915 386911718 /nfs/dbraw/zinc/91/17/18/386911718.db2.gz QHBCHAJPOGBIIY-LLVKDONJSA-N 0 1 247.342 2.075 20 0 BEADMN CC[C@H]1CCN(Cc2cnns2)[C@@H]1C ZINC001645350798 1172657237 /nfs/dbraw/zinc/65/72/37/1172657237.db2.gz AJEQSUQLBVEHTK-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN CC1(C)CC(Cc2nc(C3(N)CCC3)no2)C1 ZINC000334866427 386924443 /nfs/dbraw/zinc/92/44/43/386924443.db2.gz QIGPZJLTBQJFTC-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN CCCCC[C@H]1CCCN1Cc1cn(C)nn1 ZINC000341580200 386924812 /nfs/dbraw/zinc/92/48/12/386924812.db2.gz XSLWUFQGIAMZNQ-ZDUSSCGKSA-N 0 1 236.363 2.360 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000330951686 386927252 /nfs/dbraw/zinc/92/72/52/386927252.db2.gz PVPAZKBZJNWXGA-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN Cc1c[nH]nc1CNCc1cccc2cc[nH]c21 ZINC000352893470 386931362 /nfs/dbraw/zinc/93/13/62/386931362.db2.gz MMUVHCWBXSKXJI-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN CCc1ccccc1NC(=O)N1CCN[C@H](C)C1 ZINC000334875130 386937398 /nfs/dbraw/zinc/93/73/98/386937398.db2.gz TYZZODRYPFLCSO-LLVKDONJSA-N 0 1 247.342 2.075 20 0 BEADMN CC(C)(C)CCCC(=O)NCc1cnc[nH]1 ZINC000331069831 386954982 /nfs/dbraw/zinc/95/49/82/386954982.db2.gz CBBYMLYFQIMEGO-UHFFFAOYSA-N 0 1 223.320 2.242 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@H]2CCCC[C@H]21 ZINC000368250268 386955508 /nfs/dbraw/zinc/95/55/08/386955508.db2.gz CKPPJQQCRQCARD-ZWNOBZJWSA-N 0 1 245.326 2.302 20 0 BEADMN CCCCCC(=O)N1CCN(CC)C[C@@H]1C ZINC000341817316 386967385 /nfs/dbraw/zinc/96/73/85/386967385.db2.gz AYZDGTNHULLRCT-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC(C)(C)OCCCCSc1cn[nH]n1 ZINC000352928896 386968467 /nfs/dbraw/zinc/96/84/67/386968467.db2.gz FRJGTRAAQVAZNN-UHFFFAOYSA-N 0 1 229.349 2.492 20 0 BEADMN CC[C@H](F)CN1CC[C@H](COC(F)F)C1 ZINC000353025144 386979052 /nfs/dbraw/zinc/97/90/52/386979052.db2.gz QNHLFRVPCQMBJB-IUCAKERBSA-N 0 1 225.254 2.296 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCCCF ZINC000341903733 386987936 /nfs/dbraw/zinc/98/79/36/386987936.db2.gz HLEPZOKLHHUPFA-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CCCOC1 ZINC000332595632 386993009 /nfs/dbraw/zinc/99/30/09/386993009.db2.gz BRBPJDVJZQPWRI-NXEZZACHSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CCCOC1 ZINC000332595632 386993015 /nfs/dbraw/zinc/99/30/15/386993015.db2.gz BRBPJDVJZQPWRI-NXEZZACHSA-N 0 1 246.314 2.185 20 0 BEADMN CCCCCC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358661316 386996676 /nfs/dbraw/zinc/99/66/76/386996676.db2.gz IAGAMYABDRMHKF-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN COCC[C@H]1CCCCN(Cc2ncc[nH]2)C1 ZINC000368657802 387000108 /nfs/dbraw/zinc/00/01/08/387000108.db2.gz FFZOECQBBJCJIM-GFCCVEGCSA-N 0 1 237.347 2.048 20 0 BEADMN Cc1cnc(C(=O)Nc2ccccc2)c(O)c1 ZINC000358735181 387006433 /nfs/dbraw/zinc/00/64/33/387006433.db2.gz PYZHRMWBWBLHOC-UHFFFAOYSA-N 0 1 228.251 2.348 20 0 BEADMN COc1ncncc1CN(C)[C@@H](C)C1(C)CC1 ZINC000648013384 386949939 /nfs/dbraw/zinc/94/99/39/386949939.db2.gz BQNDMADFBONTLI-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN C[C@H](N[C@H]1CC1(C)C)c1cc2n(n1)CCC2 ZINC000334821773 386951803 /nfs/dbraw/zinc/95/18/03/386951803.db2.gz BPSNRSGCJPIJDO-CABZTGNLSA-N 0 1 219.332 2.278 20 0 BEADMN CO[C@H]1C[C@H]2C[C@H](NCC(F)F)C[C@H]2C1 ZINC000425378525 387031011 /nfs/dbraw/zinc/03/10/11/387031011.db2.gz KAEUYIFRRAEMED-OLLHRSLZSA-N 0 1 219.275 2.045 20 0 BEADMN COC(=O)CN1CCCC2(CCCCC2)C1 ZINC000369208892 387032513 /nfs/dbraw/zinc/03/25/13/387032513.db2.gz CQAXHRQZOZECIA-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CC(C)c1ncsc1NS(=O)(=O)C1CC1 ZINC000333427551 387034387 /nfs/dbraw/zinc/03/43/87/387034387.db2.gz MZHQHFKLOVBCEH-UHFFFAOYSA-N 0 1 246.357 2.171 20 0 BEADMN COc1ncncc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000648030312 387049311 /nfs/dbraw/zinc/04/93/11/387049311.db2.gz SCJLTNLYPVJHIH-GFCCVEGCSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1ccncc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334967466 387051006 /nfs/dbraw/zinc/05/10/06/387051006.db2.gz NMOOCLRQHLZRSK-CQSZACIVSA-N 0 1 246.354 2.269 20 0 BEADMN c1coc([C@@H]2CCN(Cc3ccon3)C2)c1 ZINC000369593847 387055682 /nfs/dbraw/zinc/05/56/82/387055682.db2.gz WUAAXBKLDIUQTQ-SNVBAGLBSA-N 0 1 218.256 2.257 20 0 BEADMN CSC1(CNCc2nccs2)CC1 ZINC000227951971 387059400 /nfs/dbraw/zinc/05/94/00/387059400.db2.gz PBBVWORMDLVWIV-UHFFFAOYSA-N 0 1 214.359 2.128 20 0 BEADMN O=c1[nH]c2ccccc2cc1CN1CC[C@H](F)C1 ZINC000336223174 387064413 /nfs/dbraw/zinc/06/44/13/387064413.db2.gz HURQHOOXKHJHHT-LBPRGKRZSA-N 0 1 246.285 2.484 20 0 BEADMN CCn1cncc1CN1CCC12CCC2 ZINC000334936676 387012853 /nfs/dbraw/zinc/01/28/53/387012853.db2.gz JNANDLCVWUICKN-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN c1cc(CN[C@@H]2COCc3ccccc32)c[nH]1 ZINC000334939085 387016246 /nfs/dbraw/zinc/01/62/46/387016246.db2.gz VILLSBTVMWUDGO-CQSZACIVSA-N 0 1 228.295 2.376 20 0 BEADMN CC[C@H]1CCCN(Cc2nc(C)no2)CC1 ZINC000117344695 387018361 /nfs/dbraw/zinc/01/83/61/387018361.db2.gz FCGBTUNBTNGESJ-NSHDSACASA-N 0 1 223.320 2.390 20 0 BEADMN NC1(c2noc(/C=C\c3cncs3)n2)CCC1 ZINC000519154439 387024444 /nfs/dbraw/zinc/02/44/44/387024444.db2.gz MFNCLKGIPQRFLQ-IHWYPQMZSA-N 0 1 248.311 2.034 20 0 BEADMN Cn1ccnc1[C@H](N[C@H]1COC(C)(C)C1)C1CC1 ZINC000418051345 387068833 /nfs/dbraw/zinc/06/88/33/387068833.db2.gz ROMYXMYYIUBNGC-VXGBXAGGSA-N 0 1 249.358 2.028 20 0 BEADMN CCC[C@H](C)C(=O)N1CCNC[C@H]1CCC ZINC000359244754 387071375 /nfs/dbraw/zinc/07/13/75/387071375.db2.gz ROFBYFDLQDCJOT-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CC1CCCC1 ZINC000359232291 387072730 /nfs/dbraw/zinc/07/27/30/387072730.db2.gz IWGIFXHPVQWSIW-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cn2c(n1)CN(CCC(C)C)CC2 ZINC000369994934 387082398 /nfs/dbraw/zinc/08/23/98/387082398.db2.gz JNIWNRWTDNLFHG-UHFFFAOYSA-N 0 1 207.321 2.053 20 0 BEADMN CCn1nncc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000418070107 387083503 /nfs/dbraw/zinc/08/35/03/387083503.db2.gz UDWQYVVNXAZNCJ-LBPRGKRZSA-N 0 1 236.363 2.164 20 0 BEADMN CC(C)[C@H](NCCF)c1ccc(F)cn1 ZINC000336765405 387090406 /nfs/dbraw/zinc/09/04/06/387090406.db2.gz RBFPYLHFDRJOMA-NSHDSACASA-N 0 1 214.259 2.477 20 0 BEADMN CS[C@@H]1CCN([C@H](C)c2cnc(C)cn2)C1 ZINC000336261696 387094180 /nfs/dbraw/zinc/09/41/80/387094180.db2.gz KSHVCEFHUMXGHP-GHMZBOCLSA-N 0 1 237.372 2.283 20 0 BEADMN c1ncc(CN2CCSC[C@@H]2C2CCC2)cn1 ZINC000334948257 387110614 /nfs/dbraw/zinc/11/06/14/387110614.db2.gz BTBPJSRPBRJPEO-CYBMUJFWSA-N 0 1 249.383 2.194 20 0 BEADMN CCOC[C@@H](NCc1cscn1)C(C)C ZINC000188863560 387111749 /nfs/dbraw/zinc/11/17/49/387111749.db2.gz VMCIAHMMXFUAPI-LLVKDONJSA-N 0 1 228.361 2.294 20 0 BEADMN C[C@@H](c1cccc(Cl)c1F)N(C)CCO ZINC000186599225 387112559 /nfs/dbraw/zinc/11/25/59/387112559.db2.gz JJXPTKOZGNACFA-QMMMGPOBSA-N 0 1 231.698 2.464 20 0 BEADMN C[C@H]1CCCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000335026040 387118124 /nfs/dbraw/zinc/11/81/24/387118124.db2.gz YIPXDDKTPYGOBC-GXTWGEPZSA-N 0 1 246.354 2.335 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1coc(CN)c1 ZINC000335029102 387122928 /nfs/dbraw/zinc/12/29/28/387122928.db2.gz MWWBRPAQROFCBW-GXSJLCMTSA-N 0 1 236.315 2.141 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359558539 387123577 /nfs/dbraw/zinc/12/35/77/387123577.db2.gz OOPSAXIHUVKBGX-GVXVVHGQSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCCCC2)cc1 ZINC000228090351 387068233 /nfs/dbraw/zinc/06/82/33/387068233.db2.gz UXKHEGCAWMBIAV-CYBMUJFWSA-N 0 1 232.327 2.007 20 0 BEADMN Cc1cccc(CCN2CCn3cncc3C2)c1 ZINC000336228278 387068299 /nfs/dbraw/zinc/06/82/99/387068299.db2.gz VWCPOOJEAPWVSQ-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1cscn1 ZINC000336316316 387141484 /nfs/dbraw/zinc/14/14/84/387141484.db2.gz SOELHCXWCCPQKN-WPRPVWTQSA-N 0 1 248.355 2.074 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000120005436 387151705 /nfs/dbraw/zinc/15/17/05/387151705.db2.gz ASUHQUXGGIFBCN-WDEREUQCSA-N 0 1 236.363 2.378 20 0 BEADMN CCC[C@H](C)NCc1nn(C)cc1Cl ZINC000393295677 387153196 /nfs/dbraw/zinc/15/31/96/387153196.db2.gz OYANWWSNUQDPHR-QMMMGPOBSA-N 0 1 215.728 2.352 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCCC2(CC2)C1 ZINC000186984771 387158810 /nfs/dbraw/zinc/15/88/10/387158810.db2.gz VYXTWQVLXZZZEM-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC=C(C)C1 ZINC000352414669 387167222 /nfs/dbraw/zinc/16/72/22/387167222.db2.gz UXPZJNZLAOZKJF-LBPRGKRZSA-N 0 1 225.332 2.226 20 0 BEADMN COCCCCN(C)Cc1ccnn1C(C)C ZINC000418146102 387169223 /nfs/dbraw/zinc/16/92/23/387169223.db2.gz OQHMMROXLYIFNI-UHFFFAOYSA-N 0 1 239.363 2.322 20 0 BEADMN CC(C)CCN1CCOC[C@H]1CC(F)F ZINC000353284362 387170658 /nfs/dbraw/zinc/17/06/58/387170658.db2.gz DGYYKPBBUTZOLR-SNVBAGLBSA-N 0 1 221.291 2.389 20 0 BEADMN CCC[C@@H](NCC(F)(F)CN)C1CCC1 ZINC000423330511 387175813 /nfs/dbraw/zinc/17/58/13/387175813.db2.gz BZRFMGVVTDQGRH-SNVBAGLBSA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)[N@H+](CC(=O)NCC1CC1)CC1CCC1 ZINC000193201687 387178266 /nfs/dbraw/zinc/17/82/66/387178266.db2.gz LGEYZYCDUDVBNX-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccon1 ZINC000119417390 387132859 /nfs/dbraw/zinc/13/28/59/387132859.db2.gz DPMFZVXRHZDZNC-NSHDSACASA-N 0 1 246.310 2.443 20 0 BEADMN Cc1noc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000336304164 387133771 /nfs/dbraw/zinc/13/37/71/387133771.db2.gz YYXFGKMHKGBDRZ-QMMMGPOBSA-N 0 1 209.293 2.141 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)C2CCCCC2)CCO1 ZINC000229040978 387137934 /nfs/dbraw/zinc/13/79/34/387137934.db2.gz WTNBNYVLIWRJNN-UONOGXRCSA-N 0 1 241.375 2.038 20 0 BEADMN CNC(C)(C)c1nc(-c2cccc(OC)c2)no1 ZINC000061151377 1172659825 /nfs/dbraw/zinc/65/98/25/1172659825.db2.gz HWHXSUJCKNNNCR-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCC(F)(F)CN ZINC000423343913 387192242 /nfs/dbraw/zinc/19/22/42/387192242.db2.gz MHAOZFQTEUGWFI-MXWKQRLJSA-N 0 1 234.334 2.385 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](C)[C@H]2CCOC2)o1 ZINC000300399425 387203072 /nfs/dbraw/zinc/20/30/72/387203072.db2.gz WLKAOHZWLDPVAF-DCAQKATOSA-N 0 1 224.304 2.059 20 0 BEADMN CC(C)n1cc(CN[C@H](C)c2cn[nH]c2)cn1 ZINC000229884940 387203093 /nfs/dbraw/zinc/20/30/93/387203093.db2.gz WWSKGMINNUEMLQ-SNVBAGLBSA-N 0 1 233.319 2.038 20 0 BEADMN CCN(Cc1cccc(O)c1Cl)C[C@@H](C)O ZINC000353460274 387206972 /nfs/dbraw/zinc/20/69/72/387206972.db2.gz KQHKHIQNIWYJOJ-SECBINFHSA-N 0 1 243.734 2.248 20 0 BEADMN CC[C@H](O)CNCc1csc(C(C)(C)C)n1 ZINC000229970948 387208185 /nfs/dbraw/zinc/20/81/85/387208185.db2.gz AXDGDYSLEOEUBX-JTQLQIEISA-N 0 1 242.388 2.301 20 0 BEADMN CCC(C)(C)[N@H+](C)Cc1ncccc1[O-] ZINC000571961425 387210529 /nfs/dbraw/zinc/21/05/29/387210529.db2.gz YAJXKBSQEUIOJI-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1ncccc1[O-] ZINC000571961425 387210531 /nfs/dbraw/zinc/21/05/31/387210531.db2.gz YAJXKBSQEUIOJI-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN CN(C)c1ccncc1C(=O)NCCC(C)(C)C ZINC000353509452 387218710 /nfs/dbraw/zinc/21/87/10/387218710.db2.gz KEIJGYQVPZTEJD-UHFFFAOYSA-N 0 1 249.358 2.314 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000187939302 387221275 /nfs/dbraw/zinc/22/12/75/387221275.db2.gz YKRJBGAXSGVGQZ-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2cccnc2C)C1 ZINC000336393610 387223138 /nfs/dbraw/zinc/22/31/38/387223138.db2.gz OITAJDYEBNSVFE-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)n1cc(CN2CCCC2(C)C)nn1 ZINC000336396734 387224467 /nfs/dbraw/zinc/22/44/67/387224467.db2.gz FMZJTOPQSXIUQU-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN Cn1cc(CN2CCC[C@@H]2c2cccnc2)cn1 ZINC000336398037 387227479 /nfs/dbraw/zinc/22/74/79/387227479.db2.gz YNHLKDZWDOJIAK-CQSZACIVSA-N 0 1 242.326 2.152 20 0 BEADMN C[C@@H]1Cc2ccccc2C[N@H+]1CC1(C(=O)[O-])CC1 ZINC000572047756 387228034 /nfs/dbraw/zinc/22/80/34/387228034.db2.gz BRPXGESILNIPGN-LLVKDONJSA-N 0 1 245.322 2.298 20 0 BEADMN Cc1noc([C@@H]2CCC[N@@H+]2CC[C@@H](C)F)n1 ZINC000353576225 387233658 /nfs/dbraw/zinc/23/36/58/387233658.db2.gz PGLLEASOBAYHEE-SCZZXKLOSA-N 0 1 227.283 2.263 20 0 BEADMN Cc1noc([C@@H]2CCCN2CC[C@@H](C)F)n1 ZINC000353576225 387233663 /nfs/dbraw/zinc/23/36/63/387233663.db2.gz PGLLEASOBAYHEE-SCZZXKLOSA-N 0 1 227.283 2.263 20 0 BEADMN CCC1CCC(C(=O)NCCN2CCC2)CC1 ZINC000353606903 387240572 /nfs/dbraw/zinc/24/05/72/387240572.db2.gz ZHIOIVDXQMDNBX-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000187458190 387197437 /nfs/dbraw/zinc/19/74/37/387197437.db2.gz TVPGVMIVIVGRKP-GRYCIOLGSA-N 0 1 227.348 2.053 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)C[C@H]2C)nn1 ZINC000336366569 387197536 /nfs/dbraw/zinc/19/75/36/387197536.db2.gz HZHDKOUEBMGTDY-GHMZBOCLSA-N 0 1 222.336 2.089 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NCC(F)(F)CN ZINC000423347407 387197587 /nfs/dbraw/zinc/19/75/87/387197587.db2.gz QJJOGCOJFDDFOT-QWRGUYRKSA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NCC(F)(F)CN ZINC000423347408 387198205 /nfs/dbraw/zinc/19/82/05/387198205.db2.gz QJJOGCOJFDDFOT-WDEREUQCSA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC000571925367 387198842 /nfs/dbraw/zinc/19/88/42/387198842.db2.gz YWONHGKHCSOHFY-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000571925367 387198845 /nfs/dbraw/zinc/19/88/45/387198845.db2.gz YWONHGKHCSOHFY-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN C[C@H]1CC(C)(C)C[C@@H]1NCC(F)(F)CO ZINC000193149499 387310715 /nfs/dbraw/zinc/31/07/15/387310715.db2.gz SRGSFNSOVRGHPL-IUCAKERBSA-N 0 1 221.291 2.028 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC1 ZINC000162082648 387313637 /nfs/dbraw/zinc/31/36/37/387313637.db2.gz VGTOPYLLRSLAGW-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN O=C1CCC[C@@H]1[C@@H]1COCCN1[C@@H]1C=CCCC1 ZINC000372613921 387315302 /nfs/dbraw/zinc/31/53/02/387315302.db2.gz TVBGKDMVPFROMJ-MCIONIFRSA-N 0 1 249.354 2.165 20 0 BEADMN CC(C)[C@@H]1CCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000520823396 387274645 /nfs/dbraw/zinc/27/46/45/387274645.db2.gz CSBLKFTTXMBPOX-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(CN2CCSC[C@@H]2C)cn1 ZINC000336450755 387279755 /nfs/dbraw/zinc/27/97/55/387279755.db2.gz LUZXKOBXNPUSTE-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CCCCCN1CCO[C@@H](COC(C)C)C1 ZINC000372161123 387281827 /nfs/dbraw/zinc/28/18/27/387281827.db2.gz SWZGOLFZVBLAPZ-CYBMUJFWSA-N 0 1 229.364 2.302 20 0 BEADMN CC/C=C/CCN1CCO[C@H](COC(C)C)C1 ZINC000372165971 387281899 /nfs/dbraw/zinc/28/18/99/387281899.db2.gz BIXIJOLDLZZZTJ-GJBLVYBDSA-N 0 1 241.375 2.469 20 0 BEADMN O=C1CCN(CCCCF)C2(CCC2)C1 ZINC000514739456 387284933 /nfs/dbraw/zinc/28/49/33/387284933.db2.gz ZXQGFRUQYMTUMB-UHFFFAOYSA-N 0 1 213.296 2.324 20 0 BEADMN Cc1ccc(CNCc2ccncc2)nc1C ZINC000314846340 387286078 /nfs/dbraw/zinc/28/60/78/387286078.db2.gz UXCWRRGEFQKQPA-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCC[C@H]1CCCN(Cc2nnc(C)o2)C1 ZINC000121062009 387291173 /nfs/dbraw/zinc/29/11/73/387291173.db2.gz FEJNEHALFLOODR-NSHDSACASA-N 0 1 223.320 2.390 20 0 BEADMN CCCCCN1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360541195 387306169 /nfs/dbraw/zinc/30/61/69/387306169.db2.gz STSMJHNWGPDNBM-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H](NCc1n[nH]cc1Br)C1CC1 ZINC000379403971 387307365 /nfs/dbraw/zinc/30/73/65/387307365.db2.gz QLXXMNWBOZUKHH-ZCFIWIBFSA-N 0 1 244.136 2.060 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(Cl)ccn1)N(C)C ZINC000360555896 387308315 /nfs/dbraw/zinc/30/83/15/387308315.db2.gz DINCNNZJBDLQGU-VIFPVBQESA-N 0 1 241.722 2.014 20 0 BEADMN c1ncc(CN2CCO[C@@H](C3CCCCC3)C2)[nH]1 ZINC000336530811 387355777 /nfs/dbraw/zinc/35/57/77/387355777.db2.gz CVYVZCFTUSMXMP-CQSZACIVSA-N 0 1 249.358 2.191 20 0 BEADMN c1ncc(CN2CCO[C@H](C3CCCCC3)C2)[nH]1 ZINC000336530810 387356114 /nfs/dbraw/zinc/35/61/14/387356114.db2.gz CVYVZCFTUSMXMP-AWEZNQCLSA-N 0 1 249.358 2.191 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000360935331 387368162 /nfs/dbraw/zinc/36/81/62/387368162.db2.gz BBPMWCKJXDKLAZ-YNEHKIRRSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000360942447 387370918 /nfs/dbraw/zinc/37/09/18/387370918.db2.gz VHDGDSUPIWVGTI-LLVKDONJSA-N 0 1 223.320 2.358 20 0 BEADMN CC(C)n1ncnc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000336551660 387372631 /nfs/dbraw/zinc/37/26/31/387372631.db2.gz GRRYMDRASKTAFC-VXGBXAGGSA-N 0 1 234.347 2.091 20 0 BEADMN Cc1ccnc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000336554892 387378559 /nfs/dbraw/zinc/37/85/59/387378559.db2.gz VSUJOAFFDCOCMY-RYUDHWBXSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H](OCC2CC2)C1 ZINC000373536426 387381114 /nfs/dbraw/zinc/38/11/14/387381114.db2.gz WGIVJRBQFVLEFT-AWEZNQCLSA-N 0 1 249.358 2.109 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(Cl)o2)C1 ZINC000336516899 387340721 /nfs/dbraw/zinc/34/07/21/387340721.db2.gz HVLHQGJWFWXICF-NSHDSACASA-N 0 1 229.707 2.280 20 0 BEADMN CC(C)[C@H]1N(Cc2cc[nH]n2)CC12CCC2 ZINC000336599641 387423725 /nfs/dbraw/zinc/42/37/25/387423725.db2.gz UVRFUIFNDHHHRK-GFCCVEGCSA-N 0 1 219.332 2.420 20 0 BEADMN CCCC1(C(=O)N2C[C@@H](C)N[C@@H](C)C2)CCC1 ZINC000336600187 387444528 /nfs/dbraw/zinc/44/45/28/387444528.db2.gz PJWWKCKLQUAMRL-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000516034867 387448959 /nfs/dbraw/zinc/44/89/59/387448959.db2.gz HCTBCRUGYYMISB-JTQLQIEISA-N 0 1 245.282 2.294 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCCC1(C)CC1 ZINC000423929219 387453042 /nfs/dbraw/zinc/45/30/42/387453042.db2.gz LUCIVDUXOHMHAV-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1F ZINC000336610845 387453223 /nfs/dbraw/zinc/45/32/23/387453223.db2.gz LOHSRBIHGFYMNZ-ZDUSSCGKSA-N 0 1 235.302 2.091 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC[C@H](F)C2)nn1 ZINC000516062555 387453661 /nfs/dbraw/zinc/45/36/61/387453661.db2.gz CGSUHYAYAJYVSM-QWRGUYRKSA-N 0 1 240.326 2.229 20 0 BEADMN Cc1cc(CN2CCCO[C@@H](C(C)C)C2)on1 ZINC000336612852 387454290 /nfs/dbraw/zinc/45/42/90/387454290.db2.gz XKDCRUOVGXDWAQ-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1cccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)n1 ZINC000516091566 387456802 /nfs/dbraw/zinc/45/68/02/387456802.db2.gz LTZPUQRGTFEARK-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000336614950 387456943 /nfs/dbraw/zinc/45/69/43/387456943.db2.gz OMIBFXKBPCRGHJ-SECBINFHSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)(C)C(C)(C)NC(=O)CCc1cnc[nH]1 ZINC000350768099 387457605 /nfs/dbraw/zinc/45/76/05/387457605.db2.gz OGZDKAAMXQNOJE-UHFFFAOYSA-N 0 1 237.347 2.283 20 0 BEADMN Cc1cnc(CN2CC[C@@H](CC3CC3)C2)n1C ZINC000354524268 387390570 /nfs/dbraw/zinc/39/05/70/387390570.db2.gz FTIXMQWNQMTGLT-ZDUSSCGKSA-N 0 1 233.359 2.351 20 0 BEADMN COC(=O)c1csc([C@@H](C)NCCF)c1 ZINC000287578259 387460211 /nfs/dbraw/zinc/46/02/11/387460211.db2.gz QXOISYKWONDJOP-SSDOTTSWSA-N 0 1 231.292 2.155 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NCC1=CCCOC1)CO2 ZINC000336575166 387396805 /nfs/dbraw/zinc/39/68/05/387396805.db2.gz KRSQQLCFNPHCGD-ZDUSSCGKSA-N 0 1 249.285 2.196 20 0 BEADMN Cc1ccc(CCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000354578015 387397981 /nfs/dbraw/zinc/39/79/81/387397981.db2.gz SGSQFXPFDZVOKH-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(Cl)o1 ZINC000361165056 387409197 /nfs/dbraw/zinc/40/91/97/387409197.db2.gz INUQZGCWFUVGAA-VHSXEESVSA-N 0 1 242.750 2.457 20 0 BEADMN CCC1(C)CCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000515667608 387416152 /nfs/dbraw/zinc/41/61/52/387416152.db2.gz OIVFADXSKPPPOT-NSHDSACASA-N 0 1 248.374 2.462 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)n[nH]1 ZINC000354696830 387417607 /nfs/dbraw/zinc/41/76/07/387417607.db2.gz DAICYPBLWPFPQZ-KKZNHRDASA-N 0 1 235.331 2.225 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2[C@@H](C)O)oc1C ZINC000303986849 387418637 /nfs/dbraw/zinc/41/86/37/387418637.db2.gz IYFVUPYOCDLRAI-ZYHUDNBSSA-N 0 1 238.331 2.027 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)n[nH]1 ZINC000354702970 387419753 /nfs/dbraw/zinc/41/97/53/387419753.db2.gz GRECBRGUZNOJFM-GMTAPVOTSA-N 0 1 249.358 2.479 20 0 BEADMN CO[C@H]1CCCN(Cc2ccncc2F)CC1 ZINC000648512533 387494396 /nfs/dbraw/zinc/49/43/96/387494396.db2.gz CNYDLPSFUPBXIM-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@@H]1CN(CCc2cccc(C)n2)C[C@H](C)O1 ZINC000516282211 387495462 /nfs/dbraw/zinc/49/54/62/387495462.db2.gz HKAXKTLKEMBMTD-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@H](O)COC(C)C)C2 ZINC000361585676 387501747 /nfs/dbraw/zinc/50/17/47/387501747.db2.gz JCYXSPMHTXHQKY-HNNXBMFYSA-N 0 1 249.354 2.097 20 0 BEADMN CCN(CCO)[C@H](C)c1cc(F)ccc1F ZINC000304683314 387503082 /nfs/dbraw/zinc/50/30/82/387503082.db2.gz FOHYDIAQEKGQMO-SECBINFHSA-N 0 1 229.270 2.340 20 0 BEADMN CN(CCc1ccccc1O)CC1(F)CC1 ZINC000527233994 387543342 /nfs/dbraw/zinc/54/33/42/387543342.db2.gz SRNUJAIRIPVPTD-UHFFFAOYSA-N 0 1 223.291 2.369 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CC[C@H](C)O2)CCO1 ZINC000355280386 387511277 /nfs/dbraw/zinc/51/12/77/387511277.db2.gz NFGGQDYEIYDWDW-YNEHKIRRSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1nc2cc(NCC3(O)CCC3)ccc2n1C ZINC000516456889 387512425 /nfs/dbraw/zinc/51/24/25/387512425.db2.gz URCWFHUSPKJMGN-UHFFFAOYSA-N 0 1 245.326 2.209 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCCOC(C)(C)C ZINC000361645344 387515591 /nfs/dbraw/zinc/51/55/91/387515591.db2.gz RJXIVSLVHLJMHT-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](C)[C@H]2CCCOC2)o1 ZINC000355327314 387519694 /nfs/dbraw/zinc/51/96/94/387519694.db2.gz VLKSJJTWOQNZKE-SRVKXCTJSA-N 0 1 238.331 2.449 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@]12CCOC2 ZINC000375279900 387522188 /nfs/dbraw/zinc/52/21/88/387522188.db2.gz PEWDVNKHAIPTTI-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CCN(CCc1ccc(C(C)C)cc1)CC(N)=O ZINC000355353756 387522539 /nfs/dbraw/zinc/52/25/39/387522539.db2.gz QBPUKDVDCWFPEL-UHFFFAOYSA-N 0 1 248.370 2.160 20 0 BEADMN CCN(Cc1nc(N(C)C)no1)[C@@H](C)C(C)C ZINC000192702579 387523261 /nfs/dbraw/zinc/52/32/61/387523261.db2.gz WRUKSPZCIJZNJJ-JTQLQIEISA-N 0 1 240.351 2.002 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN(C)C2CC(O)C2)o1 ZINC000355371744 387528242 /nfs/dbraw/zinc/52/82/42/387528242.db2.gz OOYXAPSBRTYBNE-HHISKICNSA-N 0 1 235.327 2.358 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)CC1(O)CCC1 ZINC000355377369 387529333 /nfs/dbraw/zinc/52/93/33/387529333.db2.gz ZBDNUEULENYDND-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN CCc1cnc(CN[C@@H]2COC(C)(C)C2)s1 ZINC000396987776 387529442 /nfs/dbraw/zinc/52/94/42/387529442.db2.gz WPXJKTLSECEQGA-VIFPVBQESA-N 0 1 240.372 2.363 20 0 BEADMN CCCCCN1CCN(CC)C(=O)C1(C)C ZINC000361766657 387530936 /nfs/dbraw/zinc/53/09/36/387530936.db2.gz OLOLAKSVXYROHC-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1cccnc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000396997665 387531372 /nfs/dbraw/zinc/53/13/72/387531372.db2.gz DNWJFZVLWQGXOM-RYUDHWBXSA-N 0 1 248.326 2.075 20 0 BEADMN COCC[C@H]1CCCCN(Cc2ncccn2)C1 ZINC000361753282 387531351 /nfs/dbraw/zinc/53/13/51/387531351.db2.gz HTDNBYIAOAKYTG-CYBMUJFWSA-N 0 1 249.358 2.115 20 0 BEADMN Cc1cccnc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000396997668 387532350 /nfs/dbraw/zinc/53/23/50/387532350.db2.gz DNWJFZVLWQGXOM-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN FC(F)CN1CCC2(CCOCC2)CC1 ZINC000375387271 387537858 /nfs/dbraw/zinc/53/78/58/387537858.db2.gz BCHLIJNVDGGRGX-UHFFFAOYSA-N 0 1 219.275 2.144 20 0 BEADMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCO ZINC000110033598 387540841 /nfs/dbraw/zinc/54/08/41/387540841.db2.gz NSGITKKQTUAXDR-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN F[C@@]1(c2ccccc2)CCN(Cc2cnc[nH]2)C1 ZINC000374540617 387467092 /nfs/dbraw/zinc/46/70/92/387467092.db2.gz XZAZBBXDZHBINI-AWEZNQCLSA-N 0 1 245.301 2.480 20 0 BEADMN Cc1ccnc(CN(C(C)C)C(C)C)n1 ZINC000352768244 387469456 /nfs/dbraw/zinc/46/94/56/387469456.db2.gz GZADLNQKHMMJOJ-UHFFFAOYSA-N 0 1 207.321 2.404 20 0 BEADMN CCc1ccc(CNCC[NH+]2CCCCC2)cn1 ZINC000352778138 387476356 /nfs/dbraw/zinc/47/63/56/387476356.db2.gz GAAKDQYJAWOOAO-UHFFFAOYSA-N 0 1 247.386 2.220 20 0 BEADMN CN(Cc1cc(C(N)=O)cs1)[C@H]1CC1(C)C ZINC000426540695 387581233 /nfs/dbraw/zinc/58/12/33/387581233.db2.gz SOYMGNAVMJHQDR-JTQLQIEISA-N 0 1 238.356 2.077 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)Cc2nccn2C)C1 ZINC000195514548 387588100 /nfs/dbraw/zinc/58/81/00/387588100.db2.gz BWBZFCXAIJSARW-NEPJUHHUSA-N 0 1 221.348 2.431 20 0 BEADMN CC1=C[C@@H](C)CN(CCOCC(F)(F)F)C1 ZINC000430269161 387606427 /nfs/dbraw/zinc/60/64/27/387606427.db2.gz NDZIADJVUGSMOZ-SECBINFHSA-N 0 1 237.265 2.463 20 0 BEADMN Cc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccn1 ZINC000527534907 387629200 /nfs/dbraw/zinc/62/92/00/387629200.db2.gz OAKKVDKPEOSKOK-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN COCC1=CCN(Cc2ccnc(C)c2)CC1 ZINC000527540373 387611487 /nfs/dbraw/zinc/61/14/87/387611487.db2.gz XSKWCMNPWXXELK-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN CCC1(CC)CCN(Cc2cn(C)nn2)CC1 ZINC000362506850 387620632 /nfs/dbraw/zinc/62/06/32/387620632.db2.gz SXDMVGIAQZWHTL-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCCCO2)ccn1 ZINC000527534915 387629606 /nfs/dbraw/zinc/62/96/06/387629606.db2.gz SBCBJNQLSKUKPI-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CSC1(CN(C)Cc2cc[nH]n2)CCC1 ZINC000356214377 387629749 /nfs/dbraw/zinc/62/97/49/387629749.db2.gz ACKLNZIWLUTOMZ-UHFFFAOYSA-N 0 1 225.361 2.127 20 0 BEADMN c1cnc(CN(CC2CC2)CC2CC2)nc1 ZINC000361863127 387546769 /nfs/dbraw/zinc/54/67/69/387546769.db2.gz TUQSHMJDPSBEEC-UHFFFAOYSA-N 0 1 217.316 2.099 20 0 BEADMN Cc1cnc([C@@H](C)N(C)[C@@H]2CCCC[C@H]2O)o1 ZINC000426198498 387548859 /nfs/dbraw/zinc/54/88/59/387548859.db2.gz JOJZXMSXJSOSBN-IJLUTSLNSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000548426349 387551298 /nfs/dbraw/zinc/55/12/98/387551298.db2.gz UURYMZZPNRKBCN-MPZDIEGVSA-N 0 1 238.375 2.259 20 0 BEADMN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccco1 ZINC000035149092 387555591 /nfs/dbraw/zinc/55/55/91/387555591.db2.gz QZCBZUVDAOEQHT-JTQLQIEISA-N 0 1 244.294 2.229 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)CCCC(C)C ZINC000426481099 387574122 /nfs/dbraw/zinc/57/41/22/387574122.db2.gz YJGWQBILBALFED-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)c1ncc2c(n1)CCN(CC1(F)CC1)C2 ZINC000527620127 387639740 /nfs/dbraw/zinc/63/97/40/387639740.db2.gz XRIQLKFXCCYHLU-UHFFFAOYSA-N 0 1 249.333 2.460 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@H](C)C2)o1 ZINC000123053392 387641198 /nfs/dbraw/zinc/64/11/98/387641198.db2.gz WKGGZARIDFEWSN-AEJSXWLSSA-N 0 1 223.320 2.417 20 0 BEADMN CC(C)NCc1ncc(Br)cc1F ZINC000527629985 387641616 /nfs/dbraw/zinc/64/16/16/387641616.db2.gz UXLWMJIVTGIKNF-UHFFFAOYSA-N 0 1 247.111 2.481 20 0 BEADMN Cc1cc(CNCc2ccccc2CO)ccn1 ZINC000527646716 387651947 /nfs/dbraw/zinc/65/19/47/387651947.db2.gz XEUBEQDUZYULJI-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN Cc1noc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000125429828 387655808 /nfs/dbraw/zinc/65/58/08/387655808.db2.gz HYJSDUOCHGIPEB-ZJUUUORDSA-N 0 1 223.320 2.389 20 0 BEADMN COC(=O)c1ccc(CN2CC(C)=C[C@H](C)C2)[nH]1 ZINC000430873313 387657058 /nfs/dbraw/zinc/65/70/58/387657058.db2.gz RFMUGVJSRKWSKJ-JTQLQIEISA-N 0 1 248.326 2.199 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000356493025 387665196 /nfs/dbraw/zinc/66/51/96/387665196.db2.gz XEFXJVQFWYVKAJ-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN COC(=O)c1coc(CN2CCC3(CC3)CC2)c1 ZINC000376799230 387672863 /nfs/dbraw/zinc/67/28/63/387672863.db2.gz NXWUTFUFZWPTRY-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN CC[C@@H](F)CN(C)C[C@@H]1CCCCO1 ZINC000440707014 387673958 /nfs/dbraw/zinc/67/39/58/387673958.db2.gz WDRIOCFKDZHPJV-MNOVXSKESA-N 0 1 203.301 2.235 20 0 BEADMN CC[C@H](F)CN1CCCN(C[C@@H](F)CC)CC1 ZINC000440718263 387680679 /nfs/dbraw/zinc/68/06/79/387680679.db2.gz UKBAHTBLHSICSR-STQMWFEESA-N 0 1 248.361 2.490 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC3(CCC3)C2)o1 ZINC000123367546 387685886 /nfs/dbraw/zinc/68/58/86/387685886.db2.gz DWFUIUFRGYFATJ-SECBINFHSA-N 0 1 221.304 2.315 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](OCC(C)C)C1 ZINC000440766488 387686733 /nfs/dbraw/zinc/68/67/33/387686733.db2.gz RIXMBDWZUYXVNS-NEPJUHHUSA-N 0 1 217.328 2.481 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](OCC(C)C)C1 ZINC000440766494 387687596 /nfs/dbraw/zinc/68/75/96/387687596.db2.gz RIXMBDWZUYXVNS-VXGBXAGGSA-N 0 1 217.328 2.481 20 0 BEADMN COC[C@@H]1CCCN(Cc2nccc(C)n2)CC1 ZINC000452110178 387743088 /nfs/dbraw/zinc/74/30/88/387743088.db2.gz YGPTWPDCLCFVHX-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ncccc1F ZINC000527827394 387745030 /nfs/dbraw/zinc/74/50/30/387745030.db2.gz DPNPECNXUMFYTH-DTHBNOIPSA-N 0 1 238.306 2.437 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C)c1ncccc1F ZINC000527827736 387747819 /nfs/dbraw/zinc/74/78/19/387747819.db2.gz IMPUOUCHCAXIOW-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN Cc1nn(C)cc1CN1CCC(F)(F)C[C@H]1C ZINC000528774857 387747867 /nfs/dbraw/zinc/74/78/67/387747867.db2.gz WMIYQFJMBKMWOH-SECBINFHSA-N 0 1 243.301 2.348 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ncccc1F ZINC000527828199 387748321 /nfs/dbraw/zinc/74/83/21/387748321.db2.gz PJXLZUVOVAEXBQ-IQJOONFLSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000521459026 387749294 /nfs/dbraw/zinc/74/92/94/387749294.db2.gz PZAYMWGBYMXXDH-UTUOFQBUSA-N 0 1 249.358 2.141 20 0 BEADMN Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000356934609 387749234 /nfs/dbraw/zinc/74/92/34/387749234.db2.gz KGWGAHKPRBRVBM-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cc(C)on1 ZINC000452018153 387700883 /nfs/dbraw/zinc/70/08/83/387700883.db2.gz LHBXMKNYOIXCNE-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1noc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)n1 ZINC000452039043 387706941 /nfs/dbraw/zinc/70/69/41/387706941.db2.gz ACEQKBYTRBCDQD-GFQSEFKGSA-N 0 1 247.342 2.246 20 0 BEADMN C[C@]12CN(Cc3ncccn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452040315 387708743 /nfs/dbraw/zinc/70/87/43/387708743.db2.gz ABOSCMFUDPEOMU-UKTARXLSSA-N 0 1 243.354 2.345 20 0 BEADMN CCC[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)C ZINC000422816942 387714926 /nfs/dbraw/zinc/71/49/26/387714926.db2.gz BSZISYSIXNIUJV-FRRDWIJNSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)CCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000367598628 387733825 /nfs/dbraw/zinc/73/38/25/387733825.db2.gz FULSIQZYACAUEP-UONOGXRCSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CCC2CCC2)CCN1C ZINC000356893582 387740535 /nfs/dbraw/zinc/74/05/35/387740535.db2.gz XODOOXRWRWUFDO-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)CCC2CCC2)CCN1C ZINC000356893588 387740914 /nfs/dbraw/zinc/74/09/14/387740914.db2.gz XODOOXRWRWUFDO-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CCC(C)(C)CC)CC(=O)OC ZINC000441474088 387762236 /nfs/dbraw/zinc/76/22/36/387762236.db2.gz LFPQXLBWYYTPHY-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1nnc(CN[C@H](C)[C@@H]2CC23CC3)s1 ZINC000527889132 387772301 /nfs/dbraw/zinc/77/23/01/387772301.db2.gz YZBJSPZTDIWQBS-APPZFPTMSA-N 0 1 223.345 2.125 20 0 BEADMN Cc1nnc([C@H](C)N2CCC3(CC3)CC2)o1 ZINC000378328367 387776732 /nfs/dbraw/zinc/77/67/32/387776732.db2.gz WDYKNRFMYSVNPM-VIFPVBQESA-N 0 1 221.304 2.315 20 0 BEADMN Cc1nc(CN2CCC[C@@](C)(O)C2)sc1C ZINC000160995544 387812668 /nfs/dbraw/zinc/81/26/68/387812668.db2.gz RRXGJQCPYXXIDU-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000378653684 387793117 /nfs/dbraw/zinc/79/31/17/387793117.db2.gz XHBGMXKFRAVLJZ-JSGCOSHPSA-N 0 1 247.338 2.346 20 0 BEADMN COC[C@@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000646235576 387793340 /nfs/dbraw/zinc/79/33/40/387793340.db2.gz SHARRNUHURDPDX-ZDUSSCGKSA-N 0 1 230.311 2.389 20 0 BEADMN CCC[C@H](CN[C@@H]1CCn2ccnc21)OCC ZINC000527930803 387795179 /nfs/dbraw/zinc/79/51/79/387795179.db2.gz LHFKBKCXVBXQCI-VXGBXAGGSA-N 0 1 237.347 2.123 20 0 BEADMN COCCC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000527933844 387796517 /nfs/dbraw/zinc/79/65/17/387796517.db2.gz IRWJWAWAFFDLID-LBPRGKRZSA-N 0 1 249.358 2.286 20 0 BEADMN CC[C@H]1CCCCCN1Cc1nnnn1C1CC1 ZINC000150739040 387757321 /nfs/dbraw/zinc/75/73/21/387757321.db2.gz MNXPMQAGVQXGAD-NSHDSACASA-N 0 1 249.362 2.163 20 0 BEADMN CCC[C@]1(C)C(=O)NCC[N@@H+]1CC1(C)CCC1 ZINC000432791203 387820261 /nfs/dbraw/zinc/82/02/61/387820261.db2.gz FQWZXXAXCAYVCJ-CQSZACIVSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1C[C@]1(C)OC(C)C ZINC000528008380 387820532 /nfs/dbraw/zinc/82/05/32/387820532.db2.gz TUIYQHPFZCYJNJ-SCRDCRAPSA-N 0 1 249.358 2.392 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CC1(C)CCC1 ZINC000432790465 387821044 /nfs/dbraw/zinc/82/10/44/387821044.db2.gz WYDIDBAEWPHNHG-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN COCCN(Cc1cncc(C)c1)C1CC1 ZINC000442686692 387822809 /nfs/dbraw/zinc/82/28/09/387822809.db2.gz ZLBPGGXWAIDIBP-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1(C)CCC1 ZINC000432822512 387827348 /nfs/dbraw/zinc/82/73/48/387827348.db2.gz MPDAJALWHHGWIV-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCN(Cc1n[nH]c(C(C)(C)C)n1)C1CCC1 ZINC000432822588 387827923 /nfs/dbraw/zinc/82/79/23/387827923.db2.gz NBRAODUDRKZKKX-UHFFFAOYSA-N 0 1 236.363 2.477 20 0 BEADMN CC[C@H](C)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432828326 387830510 /nfs/dbraw/zinc/83/05/10/387830510.db2.gz JSXWGJQWOAFRJG-VIFPVBQESA-N 0 1 224.352 2.333 20 0 BEADMN CC[C@@H]1CCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000432826058 387830908 /nfs/dbraw/zinc/83/09/08/387830908.db2.gz YAMMFDKXGQHCDW-SNVBAGLBSA-N 0 1 236.363 2.477 20 0 BEADMN Cc1cncc(CNCc2cncn2C(C)C)c1 ZINC000424160663 387838726 /nfs/dbraw/zinc/83/87/26/387838726.db2.gz RFOQSBLUFIGXAD-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC000452525762 387848417 /nfs/dbraw/zinc/84/84/17/387848417.db2.gz JHHFZLLSIGJBFZ-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN COc1ccnc(CNCC2CCCCC2)n1 ZINC000424168859 387859451 /nfs/dbraw/zinc/85/94/51/387859451.db2.gz GORGITHSVSJZLG-UHFFFAOYSA-N 0 1 235.331 2.155 20 0 BEADMN CC[C@H](F)CN(C)C[C@H](O)Cc1ccccc1 ZINC000433077839 387861786 /nfs/dbraw/zinc/86/17/86/387861786.db2.gz PUAMHOXQJLQZRE-UONOGXRCSA-N 0 1 239.334 2.270 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NCc1nc(C)no1 ZINC000070558412 387871928 /nfs/dbraw/zinc/87/19/28/387871928.db2.gz SADBQCYBAOSJCA-MNOVXSKESA-N 0 1 223.320 2.436 20 0 BEADMN c1nc2c(ncnc2NCC[C@H]2CC=CCC2)[nH]1 ZINC000528183574 387872464 /nfs/dbraw/zinc/87/24/64/387872464.db2.gz QCOREMFGBTWROP-JTQLQIEISA-N 0 1 243.314 2.463 20 0 BEADMN CN(CCC1CC1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432777945 387817441 /nfs/dbraw/zinc/81/74/41/387817441.db2.gz XCPYPPJRECQCDC-UHFFFAOYSA-N 0 1 236.363 2.334 20 0 BEADMN CCOC(=O)N1CCCN(CC=C(C)C)CC1 ZINC000194866109 387897742 /nfs/dbraw/zinc/89/77/42/387897742.db2.gz ZDSVCYJGLFBEGC-UHFFFAOYSA-N 0 1 240.347 2.117 20 0 BEADMN O=C1CCC[C@@H]1[C@@H]1COCCN1CC1=CCCC1 ZINC000645860266 387879551 /nfs/dbraw/zinc/87/95/51/387879551.db2.gz UABLJJSSJVOYNW-KGLIPLIRSA-N 0 1 249.354 2.167 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@H](C)C1CC1 ZINC000645744053 387883265 /nfs/dbraw/zinc/88/32/65/387883265.db2.gz FGYOBPDPRCCZRO-SMDDNHRTSA-N 0 1 246.354 2.157 20 0 BEADMN CC(C)n1cncc1CNC(C)(C)CF ZINC000424178377 387888857 /nfs/dbraw/zinc/88/88/57/387888857.db2.gz RGAYACCKAGBKKE-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN COc1ccnc(CN[C@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000424188052 387908457 /nfs/dbraw/zinc/90/84/57/387908457.db2.gz KBICVCFQDOCQJR-QWRGUYRKSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CN[C@H]2CC(C)(C)C[C@H]2C)n1 ZINC000424188051 387908717 /nfs/dbraw/zinc/90/87/17/387908717.db2.gz KBICVCFQDOCQJR-MNOVXSKESA-N 0 1 249.358 2.400 20 0 BEADMN COCCN(C)Cc1cccnc1C(F)(F)F ZINC000528356677 387909582 /nfs/dbraw/zinc/90/95/82/387909582.db2.gz ZSSWSYLGHDKYDL-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)N(C)C)c1 ZINC000444695098 387910743 /nfs/dbraw/zinc/91/07/43/387910743.db2.gz ROEZKEMMWAOZLX-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN COc1ccnc(CN[C@@H](C)[C@H]2CC2(C)C)n1 ZINC000424194777 387917641 /nfs/dbraw/zinc/91/76/41/387917641.db2.gz WXNJQPZKNPBCOM-VHSXEESVSA-N 0 1 235.331 2.009 20 0 BEADMN Cc1cc(CNCCc2ccc(O)cc2)no1 ZINC000459390472 387933950 /nfs/dbraw/zinc/93/39/50/387933950.db2.gz TUKRYWYTKKISKO-UHFFFAOYSA-N 0 1 232.283 2.021 20 0 BEADMN CN1CCN(C(=O)C2=CCCCC2)C(C)(C)C1 ZINC000438281887 387919872 /nfs/dbraw/zinc/91/98/72/387919872.db2.gz ZGHIGQYRNWKOAO-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN O=C([O-])CCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000309632837 387954524 /nfs/dbraw/zinc/95/45/24/387954524.db2.gz RNXLVYOVSOPCIE-UHFFFAOYSA-N 0 1 237.221 2.046 20 0 BEADMN CC(C)[C@@H](CC(F)(F)F)NCc1nccn1C ZINC000438473134 387937897 /nfs/dbraw/zinc/93/78/97/387937897.db2.gz CFIJHRCHGSVMII-SECBINFHSA-N 0 1 249.280 2.487 20 0 BEADMN CCN(CC(=O)N(C)[C@H](C)C(C)(C)C)C1CC1 ZINC000533089560 387950061 /nfs/dbraw/zinc/95/00/61/387950061.db2.gz IPOKJQUXXZINGX-LLVKDONJSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](CC)NCc1nccc(OC)n1 ZINC000424306366 387961877 /nfs/dbraw/zinc/96/18/77/387961877.db2.gz HURJXTGNIBGTDS-JTQLQIEISA-N 0 1 223.320 2.154 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000645881546 387966910 /nfs/dbraw/zinc/96/69/10/387966910.db2.gz BCOPXCHAIXUSHB-IHRRRGAJSA-N 0 1 248.370 2.430 20 0 BEADMN C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)C(F)(F)F ZINC000424321997 387971908 /nfs/dbraw/zinc/97/19/08/387971908.db2.gz KXBCOXNWVNKHAD-OYNCUSHFSA-N 0 1 236.281 2.010 20 0 BEADMN COC(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000445858906 387974991 /nfs/dbraw/zinc/97/49/91/387974991.db2.gz GHIJVQCJLZBJHN-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCn1ccnc1[C@H](C)NCCc1ccco1 ZINC000453057832 387975373 /nfs/dbraw/zinc/97/53/73/387975373.db2.gz NRFMZMFIAPXPFK-NSHDSACASA-N 0 1 233.315 2.389 20 0 BEADMN CCCCCC(=O)N1CCN(C(C)C)CC1 ZINC000045430448 387987348 /nfs/dbraw/zinc/98/73/48/387987348.db2.gz ZXBJKJOPHSOYAZ-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN c1nc2c(s1)CN(C[C@@H]1CCCCO1)CC2 ZINC000446065681 387989463 /nfs/dbraw/zinc/98/94/63/387989463.db2.gz BINHHWJVWHZVPQ-JTQLQIEISA-N 0 1 238.356 2.070 20 0 BEADMN CCC[C@](C)(O)CN[C@@H](C)c1nccn1CC ZINC000453120747 387989881 /nfs/dbraw/zinc/98/98/81/387989881.db2.gz NBOLXEYBTDRRPI-AAEUAGOBSA-N 0 1 239.363 2.105 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@H](OC)C(C)C ZINC000453125661 387990999 /nfs/dbraw/zinc/99/09/99/387990999.db2.gz TUBOQFSPMSQFMP-RYUDHWBXSA-N 0 1 239.363 2.225 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446074108 387994274 /nfs/dbraw/zinc/99/42/74/387994274.db2.gz QQFXRUUNDQGKJK-XQQFMLRXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccncn1 ZINC000453105771 387985580 /nfs/dbraw/zinc/98/55/80/387985580.db2.gz GDFVTWDGOZVMMA-STQMWFEESA-N 0 1 248.374 2.002 20 0 BEADMN CC(C)=CCSCCN1CCOC[C@@H]1C ZINC000446128972 388001255 /nfs/dbraw/zinc/00/12/55/388001255.db2.gz BZRFFDCSHJENOG-LBPRGKRZSA-N 0 1 229.389 2.407 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)o1 ZINC000245970946 387996603 /nfs/dbraw/zinc/99/66/03/387996603.db2.gz WKGGZARIDFEWSN-GUBZILKMSA-N 0 1 223.320 2.417 20 0 BEADMN CCC[C@H](CN[C@@H](CC)c1nccn1C)OC ZINC000453238732 388020317 /nfs/dbraw/zinc/02/03/17/388020317.db2.gz ALMTVKVMIRPRQE-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@@H](N[C@H](C)CCCOC)C(F)F ZINC000453242877 388021836 /nfs/dbraw/zinc/02/18/36/388021836.db2.gz HYHPHRVOGRVJCY-RKDXNWHRSA-N 0 1 209.280 2.435 20 0 BEADMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@H]1CC1(C)C ZINC000433188114 388032224 /nfs/dbraw/zinc/03/22/24/388032224.db2.gz LGFXOFKXVQSCDT-VIFPVBQESA-N 0 1 236.363 2.333 20 0 BEADMN CC[C@@](C)(CN[C@@H](C)c1cc(C)n(C)n1)OC ZINC000453297332 388038362 /nfs/dbraw/zinc/03/83/62/388038362.db2.gz ICNRARDRPRSALX-AAEUAGOBSA-N 0 1 239.363 2.194 20 0 BEADMN CC[C@H](NCc1ccnc(C)c1)c1cnn(C)c1 ZINC000453301502 388038843 /nfs/dbraw/zinc/03/88/43/388038843.db2.gz YVBVQMVLQZTWHT-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CC[C@](C)(CN[C@H](C)c1cc(C)on1)OC ZINC000453304281 388040099 /nfs/dbraw/zinc/04/00/99/388040099.db2.gz OUNWYGRGGCAAMO-ZYHUDNBSSA-N 0 1 226.320 2.449 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1cc(C)n(C)n1)OC ZINC000453253905 388026702 /nfs/dbraw/zinc/02/67/02/388026702.db2.gz QIHSGGBTGFEPPB-NEPJUHHUSA-N 0 1 239.363 2.194 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](C)[C@H]1C ZINC000246286467 388028271 /nfs/dbraw/zinc/02/82/71/388028271.db2.gz ADSFQFBZMBHZFJ-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@@H](F)CC ZINC000440567929 388055697 /nfs/dbraw/zinc/05/56/97/388055697.db2.gz IYKPUMQBULWCCS-ZETCQYMHSA-N 0 1 233.312 2.234 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000453358831 388058289 /nfs/dbraw/zinc/05/82/89/388058289.db2.gz OTQHLGMWTYBZAK-RKDXNWHRSA-N 0 1 224.304 2.065 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)no1 ZINC000453368293 388061801 /nfs/dbraw/zinc/06/18/01/388061801.db2.gz UUWBUUAJVSHSGV-WZRBSPASSA-N 0 1 238.331 2.185 20 0 BEADMN CC[C@@H](F)CN1CCC[C@@H]1C(=O)N(CC)CC ZINC000440697229 388068331 /nfs/dbraw/zinc/06/83/31/388068331.db2.gz ZHELWGDLIXOYNC-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN CC[C@H](F)CN1CCC[C@H](c2nc(C)no2)C1 ZINC000440699301 388068656 /nfs/dbraw/zinc/06/86/56/388068656.db2.gz BLDWQGDBWFLNHE-QWRGUYRKSA-N 0 1 241.310 2.306 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1nccn1C ZINC000453392754 388069008 /nfs/dbraw/zinc/06/90/08/388069008.db2.gz FDIDMFRMLCBUCB-QJPTWQEYSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@@H](c2nccn2C)C2CC2)O1 ZINC000453403003 388073924 /nfs/dbraw/zinc/07/39/24/388073924.db2.gz GKSGQQPZMVEBQS-RAIGVLPGSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H]1CC[C@@H](CN[C@H](c2nccn2C)C2CC2)O1 ZINC000453403005 388073988 /nfs/dbraw/zinc/07/39/88/388073988.db2.gz GKSGQQPZMVEBQS-WXHSDQCUSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2CCC[C@H]2O)cs1 ZINC000453407666 388075730 /nfs/dbraw/zinc/07/57/30/388075730.db2.gz MIVSIUWYTDAVMA-BCMRRPTOSA-N 0 1 226.345 2.016 20 0 BEADMN CC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1nccn1C ZINC000453411213 388077114 /nfs/dbraw/zinc/07/71/14/388077114.db2.gz QFEBUICVJBZIMM-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1cc[nH]n1 ZINC000453605568 388091035 /nfs/dbraw/zinc/09/10/35/388091035.db2.gz CXWQIAOQADIFEU-RYUDHWBXSA-N 0 1 207.321 2.324 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1nccnc1OC ZINC000453621869 388093669 /nfs/dbraw/zinc/09/36/69/388093669.db2.gz YTKNQBGZLICNBI-JSGCOSHPSA-N 0 1 249.358 2.400 20 0 BEADMN COCCNCc1nc2ccc(F)cc2s1 ZINC000086157733 388100200 /nfs/dbraw/zinc/10/02/00/388100200.db2.gz URQFQWKEKLOJBD-UHFFFAOYSA-N 0 1 240.303 2.171 20 0 BEADMN CC[C@@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC000086472650 388103868 /nfs/dbraw/zinc/10/38/68/388103868.db2.gz JNDNFPDPAKIWET-SECBINFHSA-N 0 1 231.299 2.339 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000086726654 388107698 /nfs/dbraw/zinc/10/76/98/388107698.db2.gz BPTKCLYYAJVBMX-WCQYABFASA-N 0 1 233.311 2.339 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453328438 388048206 /nfs/dbraw/zinc/04/82/06/388048206.db2.gz PPQODSDIGQVHID-IRCOFANPSA-N 0 1 235.331 2.046 20 0 BEADMN CC/C=C\CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000455322385 388156222 /nfs/dbraw/zinc/15/62/22/388156222.db2.gz HVLLSTZNVUTLQS-BYCRGOAPSA-N 0 1 248.330 2.053 20 0 BEADMN CCc1nnc([C@@H](C)N[C@H](C)Cc2ccoc2)[nH]1 ZINC000449205003 388156794 /nfs/dbraw/zinc/15/67/94/388156794.db2.gz NKSMUCZIWZUFNZ-NXEZZACHSA-N 0 1 248.330 2.242 20 0 BEADMN C[C@H](N[C@H]1CSC[C@H]1C)c1ccon1 ZINC000449237378 388159933 /nfs/dbraw/zinc/15/99/33/388159933.db2.gz NTNJJNWCNFKUDT-WEDXCCLWSA-N 0 1 212.318 2.077 20 0 BEADMN CCn1nnc(C)c1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000449240941 388161147 /nfs/dbraw/zinc/16/11/47/388161147.db2.gz PZTKCQSDWYNKIT-ZDUSSCGKSA-N 0 1 248.374 2.395 20 0 BEADMN Cc1cccc(CN[C@@H](CO)CC(F)F)c1F ZINC000449281111 388167233 /nfs/dbraw/zinc/16/72/33/388167233.db2.gz CHHDGHIJLQVNLU-SNVBAGLBSA-N 0 1 247.260 2.240 20 0 BEADMN COc1nccnc1CN1CC2(CCC2)C[C@@H]1C ZINC000449282986 388167739 /nfs/dbraw/zinc/16/77/39/388167739.db2.gz JOHDBEZKSBFGAK-NSHDSACASA-N 0 1 247.342 2.250 20 0 BEADMN O[C@@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000164238337 388172470 /nfs/dbraw/zinc/17/24/70/388172470.db2.gz QKUWCRSAJILFDD-GHMZBOCLSA-N 0 1 238.356 2.024 20 0 BEADMN COc1cc(F)cc(CN[C@@H](C)CF)c1 ZINC000449328342 388173207 /nfs/dbraw/zinc/17/32/07/388173207.db2.gz FFVVZXBEHQQKMJ-QMMMGPOBSA-N 0 1 215.243 2.282 20 0 BEADMN COc1cc(C)ccc1CN[C@H](C)CF ZINC000449329931 388174630 /nfs/dbraw/zinc/17/46/30/388174630.db2.gz KBCZHXUNQTZTAH-SNVBAGLBSA-N 0 1 211.280 2.451 20 0 BEADMN C[C@@H]1C[C@@H]1CNc1cnccc1-n1cccn1 ZINC000488451031 388180366 /nfs/dbraw/zinc/18/03/66/388180366.db2.gz RMIBDGDAPAIKHT-GHMZBOCLSA-N 0 1 228.299 2.335 20 0 BEADMN CC[C@H](N[C@H]1CCO[C@H](C)C1)C(F)F ZINC000449361082 388181264 /nfs/dbraw/zinc/18/12/64/388181264.db2.gz KMPILOBGHRRPSU-VGMNWLOBSA-N 0 1 207.264 2.187 20 0 BEADMN CC(C)C1CC(NCc2nnc3n2CCCC3)C1 ZINC000488492925 388182175 /nfs/dbraw/zinc/18/21/75/388182175.db2.gz XBVTVMWEBYYSMJ-UHFFFAOYSA-N 0 1 248.374 2.139 20 0 BEADMN CCOC(=O)CN(C[C@H]1C[C@H]1C)C1CCC1 ZINC000488547038 388186012 /nfs/dbraw/zinc/18/60/12/388186012.db2.gz RTFLXXSFLYCYOH-GHMZBOCLSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1cccc(CCN2CCO[C@@H](C)C2)c1 ZINC000449008584 388127224 /nfs/dbraw/zinc/12/72/24/388127224.db2.gz KBXSZSWLBZLEDG-ZDUSSCGKSA-N 0 1 219.328 2.258 20 0 BEADMN Cc1cccc(CCN(C)Cc2cc[nH]n2)c1 ZINC000449030556 388132534 /nfs/dbraw/zinc/13/25/34/388132534.db2.gz UMTCYYHSGHCWSE-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1CC[C@](C)(CC)C1 ZINC000449036716 388133761 /nfs/dbraw/zinc/13/37/61/388133761.db2.gz KZLYYLNDIABMAY-ZDUSSCGKSA-N 0 1 236.363 2.228 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)Cc1c(C)nnn1CC ZINC000449038783 388134248 /nfs/dbraw/zinc/13/42/48/388134248.db2.gz XJZABYYGHMUGCW-NSHDSACASA-N 0 1 238.379 2.474 20 0 BEADMN CCn1nnc(C)c1CN(C)[C@@H](C)C1(C)CC1 ZINC000449045794 388134884 /nfs/dbraw/zinc/13/48/84/388134884.db2.gz JDGPZZQJTYVJDD-NSHDSACASA-N 0 1 236.363 2.227 20 0 BEADMN c1cncc(CCN2CCOC[C@H]2C2CCC2)c1 ZINC000646059481 388135064 /nfs/dbraw/zinc/13/50/64/388135064.db2.gz JQVBPBHTNWBZAT-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1sccc1CN1CCc2cn[nH]c2C1 ZINC000646089845 388140223 /nfs/dbraw/zinc/14/02/23/388140223.db2.gz FZEZPTQQTQKEAU-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000449140607 388147331 /nfs/dbraw/zinc/14/73/31/388147331.db2.gz NYMUSLOUSPEOSJ-SCRDCRAPSA-N 0 1 246.354 2.109 20 0 BEADMN CCC[C@](C)(CO)NCc1ncc(C)s1 ZINC000449143278 388148532 /nfs/dbraw/zinc/14/85/32/388148532.db2.gz PWXHKQUSDHWMQD-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN C[C@@H](NC(CF)CF)C1CCSCC1 ZINC000449382357 388188980 /nfs/dbraw/zinc/18/89/80/388188980.db2.gz WIDLAXZJHAVSBZ-MRVPVSSYSA-N 0 1 223.332 2.415 20 0 BEADMN COCC1CCC(NC(CF)CF)CC1 ZINC000449381986 388189254 /nfs/dbraw/zinc/18/92/54/388189254.db2.gz UMDSNSWFEIVARN-UHFFFAOYSA-N 0 1 221.291 2.089 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ccncc2F)C1 ZINC000449392126 388192901 /nfs/dbraw/zinc/19/29/01/388192901.db2.gz IZXOZKIXFUOKTP-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN COCc1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000449392040 388193528 /nfs/dbraw/zinc/19/35/28/388193528.db2.gz ZZLQPKBFWHGXHW-CYBMUJFWSA-N 0 1 223.291 2.377 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)[C@H](C)C(C)C ZINC000456384694 388197379 /nfs/dbraw/zinc/19/73/79/388197379.db2.gz QGZRHAUDEJEXIJ-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)CC1CCC1 ZINC000456372007 388197803 /nfs/dbraw/zinc/19/78/03/388197803.db2.gz HAZYLCAZLFOOLN-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)CCC1CC1 ZINC000456366545 388197969 /nfs/dbraw/zinc/19/79/69/388197969.db2.gz DBZUUISMFRRYEF-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCOc1cccc(CN2CC[C@@H]2C2CC2)n1 ZINC000449427445 388203167 /nfs/dbraw/zinc/20/31/67/388203167.db2.gz ODRBPBWHIXXLII-CYBMUJFWSA-N 0 1 232.327 2.465 20 0 BEADMN CCc1cnc(CN[C@H](CC)[C@H](O)CC)s1 ZINC000313152718 256542026 /nfs/dbraw/zinc/54/20/26/256542026.db2.gz AHJRVEIEDNSIMT-GHMZBOCLSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C(C)(C)CC)CC1 ZINC000456527988 388206371 /nfs/dbraw/zinc/20/63/71/388206371.db2.gz KAZOLHMWCHXSMC-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489340971 388208567 /nfs/dbraw/zinc/20/85/67/388208567.db2.gz QXVKMNMBAIFPGV-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](NCCOCC1CCCC1)c1cnccn1 ZINC000313291579 256546552 /nfs/dbraw/zinc/54/65/52/256546552.db2.gz HJFWJGKAKLBBKG-GFCCVEGCSA-N 0 1 249.358 2.334 20 0 BEADMN CC(C)N(C(=O)CN(C)[C@H]1CC1(C)C)C(C)C ZINC000489411764 388211488 /nfs/dbraw/zinc/21/14/88/388211488.db2.gz LMLHDULEZJBUAT-LBPRGKRZSA-N 0 1 240.391 2.362 20 0 BEADMN CCC(C)(C)NC(=O)CN(C)[C@@H]1CC1(C)C ZINC000489468262 388215814 /nfs/dbraw/zinc/21/58/14/388215814.db2.gz HUUDOELTNMBVNS-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C1CCCC1 ZINC000456776161 388220619 /nfs/dbraw/zinc/22/06/19/388220619.db2.gz SJGLFLJAGQMHII-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN Cc1ccc(F)c(CCNCc2cocn2)c1 ZINC000449551200 388230890 /nfs/dbraw/zinc/23/08/90/388230890.db2.gz FMHNNMLFAIWPDN-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN COC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490042202 388231956 /nfs/dbraw/zinc/23/19/56/388231956.db2.gz IECGGNHHLFEMRO-TZMCWYRMSA-N 0 1 247.338 2.346 20 0 BEADMN CCSCCN[C@@H](C)c1nccn1CC ZINC000449562798 388232813 /nfs/dbraw/zinc/23/28/13/388232813.db2.gz OEJUZKPXLPADGT-JTQLQIEISA-N 0 1 227.377 2.307 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)C[C@@H](C)O)cs1 ZINC000164602672 388241082 /nfs/dbraw/zinc/24/10/82/388241082.db2.gz TZEVAELIPKDADB-YIZRAAEISA-N 0 1 228.361 2.262 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CCC(F)(F)CC1 ZINC000459446288 388244272 /nfs/dbraw/zinc/24/42/72/388244272.db2.gz PGJUAZMIXRYEQC-SECBINFHSA-N 0 1 249.301 2.305 20 0 BEADMN CC[C@@]1(C)CN(C2CC(OC(C)C)C2)CCO1 ZINC000459446908 388244819 /nfs/dbraw/zinc/24/48/19/388244819.db2.gz PTMQQBPNRUJEMW-RUXDESIVSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@]1(C(=O)NCCN2CC=CCC2)CC=CCC1 ZINC000451559896 388281267 /nfs/dbraw/zinc/28/12/67/388281267.db2.gz URDMWFULTYDXQK-OAHLLOKOSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@]1(C(=O)NCCN2CC=CCC2)CC=CCC1 ZINC000451559895 388281507 /nfs/dbraw/zinc/28/15/07/388281507.db2.gz URDMWFULTYDXQK-HNNXBMFYSA-N 0 1 248.370 2.111 20 0 BEADMN CC(C)c1nc(CN2CCC(CF)CC2)n[nH]1 ZINC000451392057 388268542 /nfs/dbraw/zinc/26/85/42/388268542.db2.gz IAKKQXHLVIQDHY-UHFFFAOYSA-N 0 1 240.326 2.110 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)/C=C\C2CC2)n[nH]1 ZINC000492314945 388341210 /nfs/dbraw/zinc/34/12/10/388341210.db2.gz ZFXVAQSALPDIAS-NMTCXDENSA-N 0 1 248.330 2.072 20 0 BEADMN CCC(O)(CC)CCNCc1nc(C)cs1 ZINC000276171625 388346811 /nfs/dbraw/zinc/34/68/11/388346811.db2.gz CTQPZVYOBIYOBB-UHFFFAOYSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@H](NCCF)c1ccc(Cl)nc1 ZINC000276391844 388348877 /nfs/dbraw/zinc/34/88/77/388348877.db2.gz IPEMHJINXCMYPQ-ZETCQYMHSA-N 0 1 202.660 2.355 20 0 BEADMN FC(F)(F)CCCNCc1cocn1 ZINC000277077565 388352042 /nfs/dbraw/zinc/35/20/42/388352042.db2.gz TZRZQBYZQPSYNW-UHFFFAOYSA-N 0 1 208.183 2.107 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCC(C)=C(C)C2)n[nH]1 ZINC000648784107 388353324 /nfs/dbraw/zinc/35/33/24/388353324.db2.gz CCEGKJRXTMEWHW-LBPRGKRZSA-N 0 1 247.342 2.471 20 0 BEADMN CNC(=O)C[C@@H](C)NCc1cscc1Cl ZINC000648786346 388355311 /nfs/dbraw/zinc/35/53/11/388355311.db2.gz IBWLRNUYZWLJGJ-SSDOTTSWSA-N 0 1 246.763 2.016 20 0 BEADMN C[C@@H]1C[C@@H](NCCOC(C)(C)C)c2nccn21 ZINC000308688566 388363020 /nfs/dbraw/zinc/36/30/20/388363020.db2.gz DQYSYQRXWPPXQP-GHMZBOCLSA-N 0 1 237.347 2.294 20 0 BEADMN O=C(Nc1cccc(O)c1)c1c(O)cccc1F ZINC000163597200 388364975 /nfs/dbraw/zinc/36/49/75/388364975.db2.gz OGTBEABXQNPXSE-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000235160714 388366493 /nfs/dbraw/zinc/36/64/93/388366493.db2.gz MEWAJSNDHPYJEO-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN CC[C@H](N[C@@H](C)c1cscn1)C(C)(C)O ZINC000294892559 388405374 /nfs/dbraw/zinc/40/53/74/388405374.db2.gz FCNNYLCSFWWSAH-WPRPVWTQSA-N 0 1 228.361 2.343 20 0 BEADMN C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(=O)[O-] ZINC000572889227 388384258 /nfs/dbraw/zinc/38/42/58/388384258.db2.gz FDEFPRKJWNKYJW-SNVBAGLBSA-N 0 1 233.311 2.253 20 0 BEADMN O[C@@H](CNCc1c(F)cccc1F)C1CCC1 ZINC000316119566 388406052 /nfs/dbraw/zinc/40/60/52/388406052.db2.gz GAVSYZZZGOOOKL-ZDUSSCGKSA-N 0 1 241.281 2.215 20 0 BEADMN CO[C@H](CN[C@@H](C)c1nccs1)C1CC1 ZINC000293862399 388392592 /nfs/dbraw/zinc/39/25/92/388392592.db2.gz ZAIWRPCXXWPBGX-WCBMZHEXSA-N 0 1 226.345 2.219 20 0 BEADMN CS[C@H](C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000293846751 388393090 /nfs/dbraw/zinc/39/30/90/388393090.db2.gz CHPNSFPVJLKMEA-AEJSXWLSSA-N 0 1 225.361 2.230 20 0 BEADMN CC(F)(F)CCNCc1cscn1 ZINC000294252994 388398305 /nfs/dbraw/zinc/39/83/05/388398305.db2.gz QCEAMAPOXHLEOM-UHFFFAOYSA-N 0 1 206.261 2.278 20 0 BEADMN C[C@@H]1CC[C@]2(CC[N@H+]([C@H](C(=O)[O-])C3CC3)C2)C1 ZINC000572967746 388400261 /nfs/dbraw/zinc/40/02/61/388400261.db2.gz SQMXLVRZIBNMBF-OSMZGAPFSA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000238098455 388400394 /nfs/dbraw/zinc/40/03/94/388400394.db2.gz RLOJSJIQJUMFSW-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H]1CC[C@]2(CC[N@H+]([C@@H](C(=O)[O-])C3CC3)C2)C1 ZINC000572967747 388400580 /nfs/dbraw/zinc/40/05/80/388400580.db2.gz SQMXLVRZIBNMBF-QKCSRTOESA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC(C)(C)CC1 ZINC000520604623 256675642 /nfs/dbraw/zinc/67/56/42/256675642.db2.gz WESCPLKBCVBIJN-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN COc1c(C)cnc(CN(C)C2CC2)c1C ZINC000171234812 388402776 /nfs/dbraw/zinc/40/27/76/388402776.db2.gz OJDORSXRXKKPMH-UHFFFAOYSA-N 0 1 220.316 2.301 20 0 BEADMN CCN(CC1CCC1)CN1CC(C)(C)OC1=O ZINC000492174598 388337537 /nfs/dbraw/zinc/33/75/37/388337537.db2.gz XNWGYDACCTYMNJ-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN C/C=C/C=C/C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000492263304 388339750 /nfs/dbraw/zinc/33/97/50/388339750.db2.gz ROTPXDRZCQUQJX-YKSNZYHQSA-N 0 1 236.359 2.060 20 0 BEADMN C[C@@H](COCC(F)(F)F)NCc1ccco1 ZINC000299325850 388440518 /nfs/dbraw/zinc/44/05/18/388440518.db2.gz JQNXTZYXKKVTDP-QMMMGPOBSA-N 0 1 237.221 2.337 20 0 BEADMN Cc1noc([C@H](C)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000042651723 388444519 /nfs/dbraw/zinc/44/45/19/388444519.db2.gz XIFXDCZVNHIDID-AEJSXWLSSA-N 0 1 223.320 2.417 20 0 BEADMN CCC1(CNCc2ncc(Cl)s2)COC1 ZINC000393979746 388448864 /nfs/dbraw/zinc/44/88/64/388448864.db2.gz LHTGKIDASFRMNI-UHFFFAOYSA-N 0 1 246.763 2.313 20 0 BEADMN C/C(Cl)=C/CN1CCCO[C@@H](C)C1 ZINC000528366375 388450994 /nfs/dbraw/zinc/45/09/94/388450994.db2.gz FLKMFYCBBNUBGV-FWAPLPHYSA-N 0 1 203.713 2.240 20 0 BEADMN COc1cc2c(cc1CN1[C@H](C)C[C@@H]1C)OCO2 ZINC000525996859 388453739 /nfs/dbraw/zinc/45/37/39/388453739.db2.gz OSBYVJMWAPEWRN-AOOOYVTPSA-N 0 1 249.310 2.407 20 0 BEADMN COc1cc2c(cc1CN1[C@H](C)C[C@H]1C)OCO2 ZINC000525996860 388454271 /nfs/dbraw/zinc/45/42/71/388454271.db2.gz OSBYVJMWAPEWRN-NXEZZACHSA-N 0 1 249.310 2.407 20 0 BEADMN CC[C@H](NCc1nc(C)no1)[C@@H]1CC1(C)C ZINC000397586781 388481395 /nfs/dbraw/zinc/48/13/95/388481395.db2.gz ISANESMTRHTEFO-UWVGGRQHSA-N 0 1 223.320 2.292 20 0 BEADMN COC[C@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000193890858 388469714 /nfs/dbraw/zinc/46/97/14/388469714.db2.gz IPMCOTRGKCGDBU-ZDUSSCGKSA-N 0 1 237.343 2.341 20 0 BEADMN Cc1cccc(NC(=O)CN(C)CC2CC2)c1 ZINC000193942799 388471518 /nfs/dbraw/zinc/47/15/18/388471518.db2.gz XHSMUOFBUUPOIS-UHFFFAOYSA-N 0 1 232.327 2.275 20 0 BEADMN COC[C@@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276666 388476070 /nfs/dbraw/zinc/47/60/70/388476070.db2.gz VJBPLFBGJAKUSB-MRVPVSSYSA-N 0 1 228.361 2.311 20 0 BEADMN C[C@H](C1CC1)N(Cc1nccn1C)C1CC1 ZINC000195514514 388476445 /nfs/dbraw/zinc/47/64/45/388476445.db2.gz JTWVKVLCGWQUSK-SNVBAGLBSA-N 0 1 219.332 2.183 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H](O)C2CCC2)cs1 ZINC000316271434 388408017 /nfs/dbraw/zinc/40/80/17/388408017.db2.gz GTSSZVVWNIHURL-PELKAZGASA-N 0 1 240.372 2.263 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC000165967713 388413168 /nfs/dbraw/zinc/41/31/68/388413168.db2.gz BVNIQUFZMAHZKI-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cn1 ZINC000405554988 388478969 /nfs/dbraw/zinc/47/89/69/388478969.db2.gz PWJXFBHLRSPWSR-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1[C@@H](C)C[C@@H]1C ZINC000573055868 388413458 /nfs/dbraw/zinc/41/34/58/388413458.db2.gz UBWWZXXAHQNENQ-SRVKXCTJSA-N 0 1 227.348 2.447 20 0 BEADMN CC(C)(C)SCCN[C@H]1CCn2ccnc21 ZINC000296260655 388419767 /nfs/dbraw/zinc/41/97/67/388419767.db2.gz BLKMTGPRLDLQPD-JTQLQIEISA-N 0 1 239.388 2.449 20 0 BEADMN C[C@@H](N[C@H]1CCOC1(C)C)c1cscn1 ZINC000296488363 388424028 /nfs/dbraw/zinc/42/40/28/388424028.db2.gz ONUIJQUUJLYPTE-SCZZXKLOSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](N[C@@H]1CCOC1(C)C)c1cscn1 ZINC000296488367 388424091 /nfs/dbraw/zinc/42/40/91/388424091.db2.gz ONUIJQUUJLYPTE-WCBMZHEXSA-N 0 1 226.345 2.361 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000166410076 388426514 /nfs/dbraw/zinc/42/65/14/388426514.db2.gz CTYQTAJBCNFXIQ-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN CCC[C@@H](NCC(F)(F)CO)C1CCC1 ZINC000322292985 388430520 /nfs/dbraw/zinc/43/05/20/388430520.db2.gz RNMTVNHSVFIDMS-SNVBAGLBSA-N 0 1 221.291 2.172 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@@H](C)C2)o1 ZINC000245949948 388434469 /nfs/dbraw/zinc/43/44/69/388434469.db2.gz SJMDYILTVXCMTN-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN CC[C@@](C)(CNCc1cscn1)OC ZINC000322582058 388438723 /nfs/dbraw/zinc/43/87/23/388438723.db2.gz DBODNOFBJXOESB-JTQLQIEISA-N 0 1 214.334 2.048 20 0 BEADMN C[C@H](N(C)Cc1ncccc1Cl)C(C)(C)O ZINC000528517214 388541082 /nfs/dbraw/zinc/54/10/82/388541082.db2.gz HSWIRFOTVWPRNJ-VIFPVBQESA-N 0 1 242.750 2.326 20 0 BEADMN C/C(Cl)=C\C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000528523537 388542623 /nfs/dbraw/zinc/54/26/23/388542623.db2.gz AUVKKSQDPBRVAM-SOSIVERLSA-N 0 1 217.740 2.079 20 0 BEADMN C[N@H+](Cc1ccc2[nH]cnc2c1)C[C@@H]1CCCO1 ZINC000548509766 388545944 /nfs/dbraw/zinc/54/59/44/388545944.db2.gz URQNPXQNEAOSKL-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1csc(CNCCOC(F)(F)F)n1 ZINC000084177822 135189706 /nfs/dbraw/zinc/18/97/06/135189706.db2.gz GQLFYRQVPVKHBS-UHFFFAOYSA-N 0 1 240.250 2.078 20 0 BEADMN CCC(CC)NC(=O)[C@H]1CCCCN1CC ZINC000177697083 388489438 /nfs/dbraw/zinc/48/94/38/388489438.db2.gz ZMISNZVIEVXUBX-GFCCVEGCSA-N 0 1 226.364 2.166 20 0 BEADMN CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000517240990 256820629 /nfs/dbraw/zinc/82/06/29/256820629.db2.gz ODTKMGWCQXOGFO-WCQYABFASA-N 0 1 248.326 2.329 20 0 BEADMN CC1(C)CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000517381082 388548927 /nfs/dbraw/zinc/54/89/27/388548927.db2.gz ISGRHEGFHQPLBX-LBPRGKRZSA-N 0 1 248.326 2.329 20 0 BEADMN CCCCN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178251393 388497591 /nfs/dbraw/zinc/49/75/91/388497591.db2.gz FCXRUJOPGHCTEB-SNVBAGLBSA-N 0 1 238.297 2.355 20 0 BEADMN CC(C)C1CCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000517387859 388549155 /nfs/dbraw/zinc/54/91/55/388549155.db2.gz OQCQVXCFQQMMQI-NSHDSACASA-N 0 1 248.374 2.318 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1nc2ccccc2o1 ZINC000516875220 256804679 /nfs/dbraw/zinc/80/46/79/256804679.db2.gz IOGZREWSMFLZJS-NWDGAFQWSA-N 0 1 246.310 2.077 20 0 BEADMN C/C(Cl)=C\CN1CC[C@@H](n2cccn2)C1 ZINC000528511469 388511627 /nfs/dbraw/zinc/51/16/27/388511627.db2.gz USIJICMFYDDOIQ-JNZVDCKRSA-N 0 1 225.723 2.273 20 0 BEADMN C[C@H]1CC[C@@H](CNc2ncnc3ccsc32)O1 ZINC000397935742 388512140 /nfs/dbraw/zinc/51/21/40/388512140.db2.gz HPUYGEHCZRJTGX-IUCAKERBSA-N 0 1 249.339 2.093 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCCCO1 ZINC000345348410 388512384 /nfs/dbraw/zinc/51/23/84/388512384.db2.gz FQWHHFHCACEHDN-XQHKEYJVSA-N 0 1 249.358 2.436 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCOC2(C)C)c2nccn21 ZINC000345346192 388512796 /nfs/dbraw/zinc/51/27/96/388512796.db2.gz CRQNCFNYNLDJBN-VWYCJHECSA-N 0 1 235.331 2.046 20 0 BEADMN CC(C)CN(C(=O)CN1[C@H](C)C[C@H]1C)C1CC1 ZINC000548098278 388512795 /nfs/dbraw/zinc/51/27/95/388512795.db2.gz LRXOEGHJDCDENR-VXGBXAGGSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1cc(OC[C@H]2CCOC2)cc(C)n1 ZINC000548142135 388517271 /nfs/dbraw/zinc/51/72/71/388517271.db2.gz NXZZXYCAJORSGS-NSHDSACASA-N 0 1 207.273 2.114 20 0 BEADMN CC[C@H](CO)N(C)Cc1nc2ccccc2o1 ZINC000345834910 388517581 /nfs/dbraw/zinc/51/75/81/388517581.db2.gz MQJTUYRMUXQGJA-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN C/C(Cl)=C/CN1CCC[C@H](n2cncn2)C1 ZINC000528376602 388517699 /nfs/dbraw/zinc/51/76/99/388517699.db2.gz FHJMCICSRCCVGP-FGUAACIASA-N 0 1 240.738 2.058 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccn1C)[C@@H]1CCCCO1 ZINC000356678324 388549729 /nfs/dbraw/zinc/54/97/29/388549729.db2.gz FMUYGORZYAMCFH-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN Cn1cnnc1[C@H]1CCCN1CC1CC(C)(C)C1 ZINC000528429525 388524153 /nfs/dbraw/zinc/52/41/53/388524153.db2.gz JUXBDUADTJBVGM-GFCCVEGCSA-N 0 1 248.374 2.388 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCOC2)oc1C ZINC000348140598 388525248 /nfs/dbraw/zinc/52/52/48/388525248.db2.gz KZINLYAGDZDULX-PWSUYJOCSA-N 0 1 238.331 2.196 20 0 BEADMN COCC1=CCN(C/C=C(/C)Cl)CC1 ZINC000528456027 388528387 /nfs/dbraw/zinc/52/83/87/388528387.db2.gz CTBGZCWIUYZOAK-KMKOMSMNSA-N 0 1 215.724 2.408 20 0 BEADMN C/C(Cl)=C/CNC(C)(C)c1cnn(C)c1 ZINC000528452629 388528676 /nfs/dbraw/zinc/52/86/76/388528676.db2.gz REEVAMUHPHKKBT-UITAMQMPSA-N 0 1 227.739 2.387 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cc(CO)ccc1F ZINC000528485548 388533885 /nfs/dbraw/zinc/53/38/85/388533885.db2.gz RWCIDYLDWXPKNW-UWVGGRQHSA-N 0 1 223.291 2.301 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1[C@@H]1C=CCCC1 ZINC000530166126 388617648 /nfs/dbraw/zinc/61/76/48/388617648.db2.gz KHYNLFQCENQPRB-MFKMUULPSA-N 0 1 247.294 2.372 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530163546 388617893 /nfs/dbraw/zinc/61/78/93/388617893.db2.gz OUHWIAIOYQPEGQ-UHFFFAOYSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)no1 ZINC000245834410 388606667 /nfs/dbraw/zinc/60/66/67/388606667.db2.gz AVANHCTXGBEOSK-GDGBQDQQSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@@H]1CCN(Cc2c(Cl)cnn2C)[C@@H]1C ZINC000187451539 388608295 /nfs/dbraw/zinc/60/82/95/388608295.db2.gz VXFWBWJKUXLDIA-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1c(Cl)cnn1C ZINC000187451558 388608460 /nfs/dbraw/zinc/60/84/60/388608460.db2.gz VXFWBWJKUXLDIA-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN FC(F)COCCSc1nc(C2CC2)n[nH]1 ZINC000188908271 388613397 /nfs/dbraw/zinc/61/33/97/388613397.db2.gz HDXGITCNTLWDQA-UHFFFAOYSA-N 0 1 249.286 2.056 20 0 BEADMN FC(F)COCCSc1n[nH]c(C2CC2)n1 ZINC000188908271 388613399 /nfs/dbraw/zinc/61/33/99/388613399.db2.gz HDXGITCNTLWDQA-UHFFFAOYSA-N 0 1 249.286 2.056 20 0 BEADMN CC(C)(NCCO)c1nc2ccccc2s1 ZINC000528613457 388552342 /nfs/dbraw/zinc/55/23/42/388552342.db2.gz QUIPRTBRXQFVKL-UHFFFAOYSA-N 0 1 236.340 2.113 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)NC1CCCCCC1 ZINC000548752712 388556130 /nfs/dbraw/zinc/55/61/30/388556130.db2.gz BTFOVJNRUWFLRT-TXEJJXNPSA-N 0 1 238.375 2.308 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC[S@](=O)c1ccccc1 ZINC000548754065 388557686 /nfs/dbraw/zinc/55/76/86/388557686.db2.gz NARJREOBRKBOQL-HSMVNMDESA-N 0 1 237.368 2.277 20 0 BEADMN Cc1ccsc1CN(C)Cc1ccnc(N)c1 ZINC000362963801 388561491 /nfs/dbraw/zinc/56/14/91/388561491.db2.gz PTSDTVTWYTYOHJ-UHFFFAOYSA-N 0 1 247.367 2.496 20 0 BEADMN CC/C=C\CCN1CCO[C@H](COCC)C1 ZINC000528723430 388561554 /nfs/dbraw/zinc/56/15/54/388561554.db2.gz JYSXUKHMSALKDH-SZZPACECSA-N 0 1 227.348 2.080 20 0 BEADMN COC[C@@H](N[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000548789576 388563378 /nfs/dbraw/zinc/56/33/78/388563378.db2.gz CTFXEAPMPFFBCF-DGCLKSJQSA-N 0 1 239.363 2.050 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(C)o1 ZINC000528758517 388567896 /nfs/dbraw/zinc/56/78/96/388567896.db2.gz JOQYOZYVJPCKCZ-QKBQYUARSA-N 0 1 238.331 2.193 20 0 BEADMN C[C@H]1CC(F)(F)CCN1Cc1cnn(C)c1 ZINC000528771730 388571222 /nfs/dbraw/zinc/57/12/22/388571222.db2.gz ZJPCLYSHMGMKPN-VIFPVBQESA-N 0 1 229.274 2.040 20 0 BEADMN C[C@@H](O)CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775323 388571289 /nfs/dbraw/zinc/57/12/89/388571289.db2.gz XKUQWNAMTSVCIR-VHSXEESVSA-N 0 1 221.291 2.267 20 0 BEADMN CC[C@H]1CN(C)CCN1c1ccnc(C(C)C)n1 ZINC000549250559 388575455 /nfs/dbraw/zinc/57/54/55/388575455.db2.gz FCJZVEICBXNCHE-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN COC(=O)CCCn1c(C)nc2c1CCCC2 ZINC000076095390 388576249 /nfs/dbraw/zinc/57/62/49/388576249.db2.gz BQSHCSIIMXXBTK-UHFFFAOYSA-N 0 1 236.315 2.024 20 0 BEADMN COc1ccc([C@H](NCCF)C2CC2)cn1 ZINC000528848226 388578764 /nfs/dbraw/zinc/57/87/64/388578764.db2.gz AJUIAEJKDKYTIR-GFCCVEGCSA-N 0 1 224.279 2.100 20 0 BEADMN CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](CC)CC1 ZINC000245440216 388580207 /nfs/dbraw/zinc/58/02/07/388580207.db2.gz GIEZGLRYYBPSHL-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCc1cnc(CNCC2=CCCOC2)s1 ZINC000124788491 388665734 /nfs/dbraw/zinc/66/57/34/388665734.db2.gz SXNOIGSSTQSZHP-UHFFFAOYSA-N 0 1 238.356 2.142 20 0 BEADMN C[C@H]1CCN(Cc2ncccn2)C[C@H](C)C1 ZINC000192126079 388674594 /nfs/dbraw/zinc/67/45/94/388674594.db2.gz YBVQZHHHMWAQRX-NWDGAFQWSA-N 0 1 219.332 2.345 20 0 BEADMN CC[C@H]1CCN([C@H](C)c2nc(COC)no2)C1 ZINC000248447323 388680499 /nfs/dbraw/zinc/68/04/99/388680499.db2.gz HFJRHGHJPJLDNW-ZJUUUORDSA-N 0 1 239.319 2.009 20 0 BEADMN Cc1ccccc1CN(C)[C@@H](C)C[S@@](C)=O ZINC000248484333 388682081 /nfs/dbraw/zinc/68/20/81/388682081.db2.gz KANSXELVGZBOBT-BLLLJJGKSA-N 0 1 239.384 2.194 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530164028 388618519 /nfs/dbraw/zinc/61/85/19/388618519.db2.gz BSZVLHNLYKVLAM-ONGXEEELSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1CC(C)(C)C1 ZINC000530167076 388619562 /nfs/dbraw/zinc/61/95/62/388619562.db2.gz XSJAHJUCPXMROW-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CC1CCC1 ZINC000530175449 388620190 /nfs/dbraw/zinc/62/01/90/388620190.db2.gz PKCVGEDLMKGHGV-PEGIJTEDSA-N 0 1 225.332 2.360 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000551305293 388625938 /nfs/dbraw/zinc/62/59/38/388625938.db2.gz VSEPMDOKIIAPMD-DMDPSCGWSA-N 0 1 237.322 2.278 20 0 BEADMN COCc1cccc(CN[C@@H](C)CF)c1 ZINC000288474929 388627244 /nfs/dbraw/zinc/62/72/44/388627244.db2.gz PGPDJTTZSFCDNF-JTQLQIEISA-N 0 1 211.280 2.281 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC000530211743 388627456 /nfs/dbraw/zinc/62/74/56/388627456.db2.gz KCLZFKQHWPTZRJ-JQWIXIFHSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)COC1CCN(Cc2cnccn2)CC1 ZINC000521826487 388632497 /nfs/dbraw/zinc/63/24/97/388632497.db2.gz KIAZQRBAIJIMBC-UHFFFAOYSA-N 0 1 249.358 2.114 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nc([C@H](C)OC)no1 ZINC000248572378 388684593 /nfs/dbraw/zinc/68/45/93/388684593.db2.gz MLDQTTHFEXUTRF-AEJSXWLSSA-N 0 1 241.335 2.301 20 0 BEADMN CCN(CC(=O)N1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000246380987 388634909 /nfs/dbraw/zinc/63/49/09/388634909.db2.gz ZOIWNZOKZSFRLY-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](O)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000328373936 388641573 /nfs/dbraw/zinc/64/15/73/388641573.db2.gz XBOHHBFZDDOHEI-SECBINFHSA-N 0 1 243.734 2.296 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854683 388648691 /nfs/dbraw/zinc/64/86/91/388648691.db2.gz BEUMIJBOVKSKGZ-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000246671151 388648707 /nfs/dbraw/zinc/64/87/07/388648707.db2.gz XDSMWFVRBHWZIZ-MXWKQRLJSA-N 0 1 247.342 2.229 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1nncn1C ZINC000123518069 388654727 /nfs/dbraw/zinc/65/47/27/388654727.db2.gz MEVLNJAEFPUVEW-LBPRGKRZSA-N 0 1 236.363 2.216 20 0 BEADMN CC1(C)CN(CN2CCC3(CCC3)C2)C(=O)O1 ZINC000124301668 388662484 /nfs/dbraw/zinc/66/24/84/388662484.db2.gz NVCBSNIARKXJDB-UHFFFAOYSA-N 0 1 238.331 2.051 20 0 BEADMN C[N@@H+](CCCCCO)Cc1cnc(Cl)s1 ZINC000227052810 388738402 /nfs/dbraw/zinc/73/84/02/388738402.db2.gz XHLJIHFNBYTRAS-UHFFFAOYSA-N 0 1 248.779 2.391 20 0 BEADMN CN(CCCCCO)Cc1cnc(Cl)s1 ZINC000227052810 388738406 /nfs/dbraw/zinc/73/84/06/388738406.db2.gz XHLJIHFNBYTRAS-UHFFFAOYSA-N 0 1 248.779 2.391 20 0 BEADMN CCN(CC)c1ncc(CN[C@@H](C)CF)s1 ZINC000288494941 388738511 /nfs/dbraw/zinc/73/85/11/388738511.db2.gz RJBQWXXXGVOMCV-VIFPVBQESA-N 0 1 245.367 2.437 20 0 BEADMN CCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128213842 388741347 /nfs/dbraw/zinc/74/13/47/388741347.db2.gz RUCCTHGRIMMJIC-SNVBAGLBSA-N 0 1 238.297 2.355 20 0 BEADMN CCCCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128213842 388741349 /nfs/dbraw/zinc/74/13/49/388741349.db2.gz RUCCTHGRIMMJIC-SNVBAGLBSA-N 0 1 238.297 2.355 20 0 BEADMN COC[C@@H]1CN([C@@H](C)c2ccccc2)C[C@H](C)O1 ZINC000251997951 388757661 /nfs/dbraw/zinc/75/76/61/388757661.db2.gz WJGSVUHJPUFHHE-YDHLFZDLSA-N 0 1 249.354 2.483 20 0 BEADMN CC(C)CC[C@@](C)(O)CNCc1nccs1 ZINC000390321045 388749370 /nfs/dbraw/zinc/74/93/70/388749370.db2.gz IJUKHXPLFKBMGE-GFCCVEGCSA-N 0 1 242.388 2.420 20 0 BEADMN CC/C=C/CCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248621440 388686838 /nfs/dbraw/zinc/68/68/38/388686838.db2.gz NCRQLPJBWHDWIZ-CDJBXZAQSA-N 0 1 236.359 2.086 20 0 BEADMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000126288307 388693708 /nfs/dbraw/zinc/69/37/08/388693708.db2.gz BDDHDNLGWQWTED-NXEZZACHSA-N 0 1 240.347 2.136 20 0 BEADMN COc1ncccc1CN(C)[C@H]1CCSC1 ZINC000193452080 388705349 /nfs/dbraw/zinc/70/53/49/388705349.db2.gz MGJBBLJFJSCYRR-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCSC[C@@H](C)C1 ZINC000249043494 388705922 /nfs/dbraw/zinc/70/59/22/388705922.db2.gz NJVHPQCGYOOCPE-WDEREUQCSA-N 0 1 245.388 2.013 20 0 BEADMN CCC[C@H]1CCCCN1Cc1ncnn1CC ZINC000193554844 388708124 /nfs/dbraw/zinc/70/81/24/388708124.db2.gz FYIXYRPSGBERAN-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1ncnn1CC ZINC000193554832 388708802 /nfs/dbraw/zinc/70/88/02/388708802.db2.gz FYIXYRPSGBERAN-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN CCN(C[C@H](O)C(F)(F)F)[C@@H]1C=CCCC1 ZINC000249200729 388710668 /nfs/dbraw/zinc/71/06/68/388710668.db2.gz DAZASXVBLXJBFT-ZJUUUORDSA-N 0 1 237.265 2.340 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)OC)o1)C(C)C ZINC000194091370 388722906 /nfs/dbraw/zinc/72/29/06/388722906.db2.gz HMACZHPDBKGIQN-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN CC(C)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127555517 388727076 /nfs/dbraw/zinc/72/70/76/388727076.db2.gz WBJJVFDTRQLLOJ-NSHDSACASA-N 0 1 242.363 2.336 20 0 BEADMN CCCc1ccc(C[N@@H+](CC)CCO)cc1 ZINC000194381833 388730807 /nfs/dbraw/zinc/73/08/07/388730807.db2.gz HMRYPEIXULTDDS-UHFFFAOYSA-N 0 1 221.344 2.453 20 0 BEADMN COCCOCCCCNc1cccc(C)n1 ZINC000127895265 388733332 /nfs/dbraw/zinc/73/33/32/388733332.db2.gz GLGRAHZNLUEJLP-UHFFFAOYSA-N 0 1 238.331 2.245 20 0 BEADMN CC(C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000128817365 388796552 /nfs/dbraw/zinc/79/65/52/388796552.db2.gz QNSUPPPDAQPTDG-JTQLQIEISA-N 0 1 221.304 2.060 20 0 BEADMN COc1ccncc1CN1C2CCC1CC2 ZINC000554213974 388803571 /nfs/dbraw/zinc/80/35/71/388803571.db2.gz FOKFKFGHFNINDL-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN CC(C)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000230053469 388811381 /nfs/dbraw/zinc/81/13/81/388811381.db2.gz UXFXVRNWLKUICM-SRVKXCTJSA-N 0 1 225.332 2.360 20 0 BEADMN Cc1ccoc1CNCc1ccncc1 ZINC000229472496 388790815 /nfs/dbraw/zinc/79/08/15/388790815.db2.gz UWBPILCVLAXULR-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN FC(F)C1(NCc2ccc3nc[nH]c3c2)CC1 ZINC000554548281 388820138 /nfs/dbraw/zinc/82/01/38/388820138.db2.gz MTYMTIQXJRPFAF-UHFFFAOYSA-N 0 1 237.253 2.450 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NCC(F)(F)CO ZINC000231792447 388842606 /nfs/dbraw/zinc/84/26/06/388842606.db2.gz RDDUDENDRPEZTK-QWRGUYRKSA-N 0 1 235.318 2.418 20 0 BEADMN Cc1cc(COc2cc(C)nc(C)c2)ncn1 ZINC000555626090 388857398 /nfs/dbraw/zinc/85/73/98/388857398.db2.gz BCUOZKJOPBWMPB-UHFFFAOYSA-N 0 1 229.283 2.376 20 0 BEADMN Cc1nocc1CNc1cc2c(cn1)CCC2 ZINC000555637109 388857854 /nfs/dbraw/zinc/85/78/54/388857854.db2.gz ADZZOFGFXACRIH-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN Cc1oncc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000129617826 388858701 /nfs/dbraw/zinc/85/87/01/388858701.db2.gz BDGFNDQHLCHFPX-VHSXEESVSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000254987007 388869401 /nfs/dbraw/zinc/86/94/01/388869401.db2.gz UEGJDEKQXGTRLZ-JYESYGNLSA-N 0 1 249.358 2.368 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000129858945 388870468 /nfs/dbraw/zinc/87/04/68/388870468.db2.gz PIPBERAUWZEIPB-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CSc1ccc(C[N@H+]2CC[C@@H](O)[C@@H]2C)cc1 ZINC000648763630 388846707 /nfs/dbraw/zinc/84/67/07/388846707.db2.gz SOFPPGSYINGMCP-GXFFZTMASA-N 0 1 237.368 2.364 20 0 BEADMN C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccc2occc2c1 ZINC000648763633 388847008 /nfs/dbraw/zinc/84/70/08/388847008.db2.gz TYUSGHULWFNAGG-MFKMUULPSA-N 0 1 231.295 2.388 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)n[nH]1 ZINC001645510442 1172675450 /nfs/dbraw/zinc/67/54/50/1172675450.db2.gz QMOLOQBSGACGTN-XWIASGKRSA-N 0 1 247.342 2.428 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@@H](F)C2)n[nH]1 ZINC000564663473 388883561 /nfs/dbraw/zinc/88/35/61/388883561.db2.gz IMDXQMXPYFFXIU-SECBINFHSA-N 0 1 239.294 2.107 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000564661118 388883608 /nfs/dbraw/zinc/88/36/08/388883608.db2.gz FCEBNCUELMQOBN-ZYHUDNBSSA-N 0 1 213.321 2.219 20 0 BEADMN CCCCOCCN1CCOC[C@H]1C1CCC1 ZINC000564927988 388899194 /nfs/dbraw/zinc/89/91/94/388899194.db2.gz DISOQPJMYUUSSG-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CCCN(CC(=O)c2cccn2C)CC1 ZINC000070158169 388876652 /nfs/dbraw/zinc/87/66/52/388876652.db2.gz UUORADNVCCSAFC-GFCCVEGCSA-N 0 1 234.343 2.330 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000564575602 388879235 /nfs/dbraw/zinc/87/92/35/388879235.db2.gz GEZATAPLWPVVTR-GHMZBOCLSA-N 0 1 223.316 2.116 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000564575604 388879326 /nfs/dbraw/zinc/87/93/26/388879326.db2.gz GEZATAPLWPVVTR-MNOVXSKESA-N 0 1 223.316 2.116 20 0 BEADMN Cc1cccc(CCC[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000565106027 388914569 /nfs/dbraw/zinc/91/45/69/388914569.db2.gz WXGALBOEAYUKMG-UHFFFAOYSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@H](CN1CCn2nncc2C1)C1CCCCC1 ZINC000565169243 388920617 /nfs/dbraw/zinc/92/06/17/388920617.db2.gz DFYGBNYXOXTYMN-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN Cn1ccc(CNc2cc3c(cn2)CCCC3)n1 ZINC000565278780 388933029 /nfs/dbraw/zinc/93/30/29/388933029.db2.gz IZLNMNSGUSHGBG-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN C[N@@H+](CCSC1CCCCC1)CCC(=O)[O-] ZINC000565315307 388937824 /nfs/dbraw/zinc/93/78/24/388937824.db2.gz RBVKEMWVTQOVHQ-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN Cc1ocnc1CNCC1(O)CCC(C)CC1 ZINC000565417336 388943238 /nfs/dbraw/zinc/94/32/38/388943238.db2.gz RIDSMJQXHHGOLW-UHFFFAOYSA-N 0 1 238.331 2.014 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nnc(C3CC3)o2)[C@H]1C ZINC000565941569 388980282 /nfs/dbraw/zinc/98/02/82/388980282.db2.gz UBGAPRTVQVZDAI-BBBLOLIVSA-N 0 1 235.331 2.423 20 0 BEADMN CC(C)COCCN1CCOC[C@H]1C1CCC1 ZINC000566007581 388981879 /nfs/dbraw/zinc/98/18/79/388981879.db2.gz HSXXSQCZMCQUOH-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccoc2)no1 ZINC000565814513 388971848 /nfs/dbraw/zinc/97/18/48/388971848.db2.gz QLWHBFOMARWDPA-VIFPVBQESA-N 0 1 220.272 2.297 20 0 BEADMN CN(CCCCO)Cc1nc2ccccc2o1 ZINC000269348331 389008096 /nfs/dbraw/zinc/00/80/96/389008096.db2.gz YNAIUNBJWDBCOD-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN Cc1nsc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000271371378 389020007 /nfs/dbraw/zinc/02/00/07/389020007.db2.gz PRVSPRMEOHEAQK-MRVPVSSYSA-N 0 1 235.316 2.059 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)OCO2 ZINC000271728771 389024300 /nfs/dbraw/zinc/02/43/00/389024300.db2.gz YFETZLSRZMEFII-QMMMGPOBSA-N 0 1 211.236 2.035 20 0 BEADMN C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000271828673 389026447 /nfs/dbraw/zinc/02/64/47/389026447.db2.gz DLBSRKSVNWHTEU-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nccs2)C1(C)C ZINC000271898386 389027081 /nfs/dbraw/zinc/02/70/81/389027081.db2.gz UUZHMNSGZIXZSA-JMJZKYOTSA-N 0 1 240.372 2.292 20 0 BEADMN CCOCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274911222 389049618 /nfs/dbraw/zinc/04/96/18/389049618.db2.gz NDRWNTOPPBIXTH-SECBINFHSA-N 0 1 228.723 2.422 20 0 BEADMN CC(C)C(C)(C)CNc1ncnc2[nH]cnc21 ZINC000218910055 166742466 /nfs/dbraw/zinc/74/24/66/166742466.db2.gz WLTHPCXGABPLMB-UHFFFAOYSA-N 0 1 233.319 2.447 20 0 BEADMN C/C(=C/c1ccccc1)CN(CC(N)=O)C(C)C ZINC000255890390 533390526 /nfs/dbraw/zinc/39/05/26/533390526.db2.gz ONVZLFHELMOLQL-LCYFTJDESA-N 0 1 246.354 2.286 20 0 BEADMN C[C@@H]1COCCN1c1ccnc2ccccc21 ZINC000264686771 132178900 /nfs/dbraw/zinc/17/89/00/132178900.db2.gz YEAXPDZUTWXUQL-LLVKDONJSA-N 0 1 228.295 2.460 20 0 BEADMN CC(C)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000266207991 132185444 /nfs/dbraw/zinc/18/54/44/132185444.db2.gz FNFMISGIFCOFKE-UHFFFAOYSA-N 0 1 245.330 2.225 20 0 BEADMN CCC[C@@H]1CCCN(c2ccncc2C(N)=O)C1 ZINC000302173570 132261388 /nfs/dbraw/zinc/26/13/88/132261388.db2.gz VLBBUVOAHGUEDA-LLVKDONJSA-N 0 1 247.342 2.197 20 0 BEADMN CCN1CC[C@@H](Oc2cnccc2Cl)C1 ZINC001226294001 974847903 /nfs/dbraw/zinc/84/79/03/974847903.db2.gz OFHJNAOPVRAESS-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN Cc1nccc(N2CC[C@@H](O)[C@@H](C)C2)c1Cl ZINC000309361098 132389197 /nfs/dbraw/zinc/38/91/97/132389197.db2.gz OCBDCHRXZWQHCR-GZMMTYOYSA-N 0 1 240.734 2.251 20 0 BEADMN CC(C)N(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000343643039 133700712 /nfs/dbraw/zinc/70/07/12/133700712.db2.gz FZROXFHAETWDOV-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN C[C@H](Nc1cc2c(cn1)CCC2)[C@H]1CCOC1 ZINC000335916407 133993211 /nfs/dbraw/zinc/99/32/11/133993211.db2.gz WDSQWCIKAZQOMX-GWCFXTLKSA-N 0 1 232.327 2.407 20 0 BEADMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCCCC1 ZINC000335948853 134021038 /nfs/dbraw/zinc/02/10/38/134021038.db2.gz KHBAGRJBZJIWRB-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1CCCCC1 ZINC000335948853 134021039 /nfs/dbraw/zinc/02/10/39/134021039.db2.gz KHBAGRJBZJIWRB-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000335947871 134021098 /nfs/dbraw/zinc/02/10/98/134021098.db2.gz SILKCNXHIZMSPA-CYBMUJFWSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000335951349 134021777 /nfs/dbraw/zinc/02/17/77/134021777.db2.gz PYCQPOIWLFUABV-PHIMTYICSA-N 0 1 237.372 2.469 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]1CF ZINC000335977691 134031735 /nfs/dbraw/zinc/03/17/35/134031735.db2.gz DTWYSQMLHHJZJC-SNVBAGLBSA-N 0 1 247.273 2.137 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352016788 134036783 /nfs/dbraw/zinc/03/67/83/134036783.db2.gz ZROXHADAACPEOQ-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc(CN2CCCO[C@@H](C)C2)n1 ZINC000335996546 134042126 /nfs/dbraw/zinc/04/21/26/134042126.db2.gz DJGONWJFSYZCOB-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352025878 134042549 /nfs/dbraw/zinc/04/25/49/134042549.db2.gz MANKEQFETPPPCN-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCc1ccc(CN2CCCO[C@H](C)C2)cn1 ZINC000335999528 134044171 /nfs/dbraw/zinc/04/41/71/134044171.db2.gz FIEXCYFGRFHVSA-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN CCc1ccc(CN2CCCO[C@@H](C)C2)cn1 ZINC000335999529 134044358 /nfs/dbraw/zinc/04/43/58/134044358.db2.gz FIEXCYFGRFHVSA-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)nc1 ZINC000336014571 134052526 /nfs/dbraw/zinc/05/25/26/134052526.db2.gz SKOJOAVYMYEEJF-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1ccc2nc(NC(=O)C3CC3)[nH]c2c1 ZINC000336024292 134056619 /nfs/dbraw/zinc/05/66/19/134056619.db2.gz XVNLGPQAMLTMBX-UHFFFAOYSA-N 0 1 215.256 2.220 20 0 BEADMN COc1cc(CN2[C@@H](C)C[C@@H]2C)ccn1 ZINC000336056057 134066470 /nfs/dbraw/zinc/06/64/70/134066470.db2.gz UEDYWXYIHQLKED-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H](C(C)C)C2)n[nH]1 ZINC000336061117 134068890 /nfs/dbraw/zinc/06/88/90/134068890.db2.gz JDVDLGCMJGMOCA-NSHDSACASA-N 0 1 235.331 2.226 20 0 BEADMN CCC1(C)CCN(Cc2n[nH]c(C)n2)CC1 ZINC000336110434 134086211 /nfs/dbraw/zinc/08/62/11/134086211.db2.gz LYVXQWCSOGWHGW-UHFFFAOYSA-N 0 1 222.336 2.125 20 0 BEADMN CC(C)(C)c1nc(CN2CCCC3(CC3)C2)n[nH]1 ZINC000336136690 134096346 /nfs/dbraw/zinc/09/63/46/134096346.db2.gz AUUXVNXWCGGAPD-UHFFFAOYSA-N 0 1 248.374 2.478 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@@H]2C)n1C1CC1 ZINC000336141975 134100467 /nfs/dbraw/zinc/10/04/67/134100467.db2.gz JQSQEFBBXFCNDV-ZJUUUORDSA-N 0 1 234.347 2.152 20 0 BEADMN Cc1nc(N2C[C@H](C)N(C)C[C@H]2C)sc1C ZINC000336167115 134113408 /nfs/dbraw/zinc/11/34/08/134113408.db2.gz PWJVQTJXMGRUPV-DTWKUNHWSA-N 0 1 239.388 2.289 20 0 BEADMN CC1(C)CN(CC2CC(F)(F)C2)CCO1 ZINC000336195072 134125852 /nfs/dbraw/zinc/12/58/52/134125852.db2.gz GZHDLBTUHWOYMW-UHFFFAOYSA-N 0 1 219.275 2.143 20 0 BEADMN CCc1nc(NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000336196199 134126131 /nfs/dbraw/zinc/12/61/31/134126131.db2.gz DCTSCYSHBWILIU-LBPRGKRZSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@]2(C)CC=CCC2)n1 ZINC000336196199 134126132 /nfs/dbraw/zinc/12/61/32/134126132.db2.gz DCTSCYSHBWILIU-LBPRGKRZSA-N 0 1 234.303 2.052 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc3cccnc3o2)CCCO1 ZINC000336206372 134132201 /nfs/dbraw/zinc/13/22/01/134132201.db2.gz XYWOCEDWDAOJCM-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN Cc1cnccc1CN1CC(C)(C)OC[C@@H]1C ZINC000336206683 134132216 /nfs/dbraw/zinc/13/22/16/134132216.db2.gz BTOICAAZSVDIFF-LBPRGKRZSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccncc2F)C1 ZINC000336206941 134132458 /nfs/dbraw/zinc/13/24/58/134132458.db2.gz PCPAWMOTWTZZQU-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN CC(C)(C(=O)Nc1ccc(F)cc1)c1cnc[nH]1 ZINC000336211212 134134475 /nfs/dbraw/zinc/13/44/75/134134475.db2.gz ZQGYXKDJKYTTCU-UHFFFAOYSA-N 0 1 247.273 2.465 20 0 BEADMN C[C@H](NCc1cc[nH]n1)[C@H]1COc2ccccc21 ZINC000169170776 134249464 /nfs/dbraw/zinc/24/94/64/134249464.db2.gz PWSWMOVKRFJDGN-GXFFZTMASA-N 0 1 243.310 2.064 20 0 BEADMN Cc1ccc(CCN2CCO[C@@H](C)C2)cc1 ZINC000172414773 134266070 /nfs/dbraw/zinc/26/60/70/134266070.db2.gz ZRGLBUIHEYTHCT-ZDUSSCGKSA-N 0 1 219.328 2.258 20 0 BEADMN CC(C)C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000173905913 134278349 /nfs/dbraw/zinc/27/83/49/134278349.db2.gz WLOHPAYHXVEZRR-LBPRGKRZSA-N 0 1 221.348 2.288 20 0 BEADMN CC[C@]1(C)CCCN([C@@H](C)C(=O)OC)C1 ZINC000174196066 134279474 /nfs/dbraw/zinc/27/94/74/134279474.db2.gz XLALGBRCOZJZEK-CMPLNLGQSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1CN(CCN(C)c2ccccc2)C[C@H](C)O1 ZINC000177225828 134296261 /nfs/dbraw/zinc/29/62/61/134296261.db2.gz XXWRXOFOYDZYFH-OKILXGFUSA-N 0 1 248.370 2.232 20 0 BEADMN OCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000177844492 134303755 /nfs/dbraw/zinc/30/37/55/134303755.db2.gz YYZFSJQOHAJRFN-UHFFFAOYSA-N 0 1 243.306 2.297 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C)[C@@H]2C)n1C1CC1 ZINC000177867011 134303788 /nfs/dbraw/zinc/30/37/88/134303788.db2.gz XULIEIUKKZHGGD-ZJUUUORDSA-N 0 1 234.347 2.152 20 0 BEADMN COC[C@@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000178473135 134307079 /nfs/dbraw/zinc/30/70/79/134307079.db2.gz QOYMCOOPEZJJLA-KBPBESRZSA-N 0 1 249.354 2.403 20 0 BEADMN CN(Cc1ccncc1Cl)C[C@H]1CCOC1 ZINC000178367143 134309320 /nfs/dbraw/zinc/30/93/20/134309320.db2.gz KEXDOAUTZDHDFK-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN Cc1nc(CN[C@]2(C)CCCOC2)cs1 ZINC000221345831 134320614 /nfs/dbraw/zinc/32/06/14/134320614.db2.gz URYBFAYOFUJXDU-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN c1ccc(SCc2n[nH]c(C3CC3)n2)nc1 ZINC000179647865 134323119 /nfs/dbraw/zinc/32/31/19/134323119.db2.gz WZAMYCQCQRJTRY-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1nccs1 ZINC000222636377 134333888 /nfs/dbraw/zinc/33/38/88/134333888.db2.gz FYNTZEBFHKAWDJ-JMJZKYOTSA-N 0 1 238.356 2.361 20 0 BEADMN Cc1oncc1CN1CCC(n2ccnc2)CC1 ZINC000181736490 134338484 /nfs/dbraw/zinc/33/84/84/134338484.db2.gz JPGWPMPNLRPXJE-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CCc1nc(NC(=O)[C@@H](C)c2ccccc2)n[nH]1 ZINC000183598860 134354397 /nfs/dbraw/zinc/35/43/97/134354397.db2.gz SROFRZXEZCOLKO-VIFPVBQESA-N 0 1 244.298 2.109 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](C)c2ccccc2)n1 ZINC000183598860 134354398 /nfs/dbraw/zinc/35/43/98/134354398.db2.gz SROFRZXEZCOLKO-VIFPVBQESA-N 0 1 244.298 2.109 20 0 BEADMN C[C@@H](NCc1cncc(F)c1)c1cccnc1 ZINC000226095751 134358743 /nfs/dbraw/zinc/35/87/43/134358743.db2.gz UGIJBGNKEVCGDS-SNVBAGLBSA-N 0 1 231.274 2.467 20 0 BEADMN CO[C@H]1C[C@H](NCc2nccs2)C1(C)C ZINC000227826154 134389939 /nfs/dbraw/zinc/38/99/39/134389939.db2.gz QBNYXPJTBBIESC-IUCAKERBSA-N 0 1 226.345 2.046 20 0 BEADMN C[C@H](O)CCCNCc1ncc(Cl)s1 ZINC000227957611 134395315 /nfs/dbraw/zinc/39/53/15/134395315.db2.gz LOHGFFLQTMNZEE-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN CCc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000134892980 134725725 /nfs/dbraw/zinc/72/57/25/134725725.db2.gz HDKFQPJSEOYKDX-KCWFYHRYSA-N 0 1 243.372 2.260 20 0 BEADMN CC[C@@H](NCc1cnc[nH]1)c1nccs1 ZINC000070633954 134999096 /nfs/dbraw/zinc/99/90/96/134999096.db2.gz PNKNLAKYDCZACB-SECBINFHSA-N 0 1 222.317 2.107 20 0 BEADMN CC[C@H](C)CN1CCOC[C@H]1c1cccn1C ZINC000249262599 135036320 /nfs/dbraw/zinc/03/63/20/135036320.db2.gz HYOCPFQXLFXHTN-JSGCOSHPSA-N 0 1 236.359 2.445 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C)C[C@@H](C)C2)[nH]1 ZINC000249367382 135036864 /nfs/dbraw/zinc/03/68/64/135036864.db2.gz VOFCUFXRBUUVOB-GHMZBOCLSA-N 0 1 236.363 2.235 20 0 BEADMN C[C@H](O)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000249600863 135041604 /nfs/dbraw/zinc/04/16/04/135041604.db2.gz QLXSHLKCRXFFFR-UKTARXLSSA-N 0 1 249.354 2.218 20 0 BEADMN CCCc1noc(CN2CCCC2(C)C)n1 ZINC000077483529 135067467 /nfs/dbraw/zinc/06/74/67/135067467.db2.gz BYCGFGQFGNUTHW-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251795138 135077855 /nfs/dbraw/zinc/07/78/55/135077855.db2.gz XJZKNRYQYDOWLZ-DGCLKSJQSA-N 0 1 233.311 2.229 20 0 BEADMN C[C@H]1CC[C@H](NCc2csnn2)CC1 ZINC000252737568 135104736 /nfs/dbraw/zinc/10/47/36/135104736.db2.gz CFEGTGIOBADIJB-KYZUINATSA-N 0 1 211.334 2.206 20 0 BEADMN Cc1nc(CNC[C@@]2(C)CCCO2)cs1 ZINC000087233506 135114144 /nfs/dbraw/zinc/11/41/44/135114144.db2.gz NZFYPBZLKPKOPZ-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN COc1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262168817 135116789 /nfs/dbraw/zinc/11/67/89/135116789.db2.gz CCKINWXCNXJYNA-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN CCc1cccc(F)c1C[N@@H+](C)CCC(=O)[O-] ZINC000263394970 135126595 /nfs/dbraw/zinc/12/65/95/135126595.db2.gz GGPRBUQEJAVXCI-UHFFFAOYSA-N 0 1 239.290 2.295 20 0 BEADMN Cc1nc(CN[C@H]2CCCOC2)sc1C ZINC000087375994 135127310 /nfs/dbraw/zinc/12/73/10/135127310.db2.gz BGKQLGKBOZYHRX-JTQLQIEISA-N 0 1 226.345 2.029 20 0 BEADMN CCC1CCC(N(C)C(=O)c2cnc[nH]2)CC1 ZINC000263709076 135127540 /nfs/dbraw/zinc/12/75/40/135127540.db2.gz UUKHJIRBBUSIRC-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CN1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000258035108 135132209 /nfs/dbraw/zinc/13/22/09/135132209.db2.gz NGPAFGKMDGWHQH-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCC1CCCC1 ZINC000258888878 135135607 /nfs/dbraw/zinc/13/56/07/135135607.db2.gz MSWRRFFIJLXMAV-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCCCC1 ZINC000257670946 135138479 /nfs/dbraw/zinc/13/84/79/135138479.db2.gz GXWPAXMSZOONDR-ZDUSSCGKSA-N 0 1 232.327 2.007 20 0 BEADMN O[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000078694894 135139685 /nfs/dbraw/zinc/13/96/85/135139685.db2.gz JOXZRQJBLMSZFU-NSHDSACASA-N 0 1 246.285 2.335 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000261530503 135158061 /nfs/dbraw/zinc/15/80/61/135158061.db2.gz FRMPTCFLUIQWCA-RYUDHWBXSA-N 0 1 227.348 2.465 20 0 BEADMN O=C([O-])C[N@H+]1CCCC2(CCCCC2)C1 ZINC000261534047 135165756 /nfs/dbraw/zinc/16/57/56/135165756.db2.gz LQCBXOBFTFPKCF-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN C[C@@H](N)c1nc([C@@H]2CCCOC2)cs1 ZINC000261538025 135175487 /nfs/dbraw/zinc/17/54/87/135175487.db2.gz XESUHAPKRFLLES-HTQZYQBOSA-N 0 1 212.318 2.057 20 0 BEADMN O=C(NCc1cnc[nH]1)c1ccc(Cl)s1 ZINC000084081606 135182458 /nfs/dbraw/zinc/18/24/58/135182458.db2.gz SYERDTRCFUXWGJ-UHFFFAOYSA-N 0 1 241.703 2.055 20 0 BEADMN C[C@H](NCCOC(F)(F)F)c1ccco1 ZINC000084177780 135189969 /nfs/dbraw/zinc/18/99/69/135189969.db2.gz AHNICEQKFWFPHO-ZETCQYMHSA-N 0 1 223.194 2.467 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCC1CCCC1 ZINC000261562613 135204340 /nfs/dbraw/zinc/20/43/40/135204340.db2.gz BKWNJZZTOWVPSH-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000084347505 135211552 /nfs/dbraw/zinc/21/15/52/135211552.db2.gz MMZGLZQCUZERTD-UTUOFQBUSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1sccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000261570676 135212685 /nfs/dbraw/zinc/21/26/85/135212685.db2.gz HBEMMUNCFIHMSV-NSHDSACASA-N 0 1 239.340 2.496 20 0 BEADMN CC(C)C(C[N@H+]1CCC[C@@H]1C(=O)[O-])C(C)C ZINC000261576638 135217411 /nfs/dbraw/zinc/21/74/11/135217411.db2.gz KMEARNCWPNIIHU-GFCCVEGCSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccccc1)C1CC1 ZINC000261587264 135228226 /nfs/dbraw/zinc/22/82/26/135228226.db2.gz RPQCDCWJJSXTLR-JTQLQIEISA-N 0 1 219.284 2.124 20 0 BEADMN Cc1noc(C)c1-c1csc([C@@H](C)N)n1 ZINC000261589629 135230256 /nfs/dbraw/zinc/23/02/56/135230256.db2.gz TZDOYUPTUVUQTC-RXMQYKEDSA-N 0 1 223.301 2.435 20 0 BEADMN Cc1ccccc1-c1nc(C2(N)CCC2)no1 ZINC000261612451 135243714 /nfs/dbraw/zinc/24/37/14/135243714.db2.gz AXOJKWAVUPXWHX-UHFFFAOYSA-N 0 1 229.283 2.383 20 0 BEADMN Cc1ccncc1-c1nc(C2(N)CCCC2)no1 ZINC000261681623 135245174 /nfs/dbraw/zinc/24/51/74/135245174.db2.gz GVZISHBOUQKUEV-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(N)c2)C[C@@H](C)O1 ZINC000261757265 135250859 /nfs/dbraw/zinc/25/08/59/135250859.db2.gz XGEWXBASRBJEQO-BXUZGUMPSA-N 0 1 234.343 2.268 20 0 BEADMN CC1(c2nc(C3(N)CCC3)no2)CCCC1 ZINC000261779379 135252692 /nfs/dbraw/zinc/25/26/92/135252692.db2.gz NTDKABJAIJPOEO-UHFFFAOYSA-N 0 1 221.304 2.239 20 0 BEADMN Cc1cc(C)c(-c2nc(C3(N)CCC3)no2)o1 ZINC000261804193 135254532 /nfs/dbraw/zinc/25/45/32/135254532.db2.gz PJBXHLRCOROJJE-UHFFFAOYSA-N 0 1 233.271 2.284 20 0 BEADMN CC[C@H]1CC[C@H](c2nc(C3(N)CCC3)no2)O1 ZINC000261888062 135259818 /nfs/dbraw/zinc/25/98/18/135259818.db2.gz XCAATRIFZUPDFU-DTWKUNHWSA-N 0 1 237.303 2.038 20 0 BEADMN CC[C@@H]1CC[C@@H](c2nc(C3(N)CCC3)no2)O1 ZINC000261888061 135259935 /nfs/dbraw/zinc/25/99/35/135259935.db2.gz XCAATRIFZUPDFU-BDAKNGLRSA-N 0 1 237.303 2.038 20 0 BEADMN C[C@H]1CC[C@@H](Cc2nc(C3(N)CCC3)no2)C1 ZINC000261906197 135261586 /nfs/dbraw/zinc/26/15/86/135261586.db2.gz ZBSAOGYRXPEXHP-VHSXEESVSA-N 0 1 235.331 2.386 20 0 BEADMN C[C@H]1CC[C@H](Cc2nc(C3(N)CCC3)no2)C1 ZINC000261906195 135261619 /nfs/dbraw/zinc/26/16/19/135261619.db2.gz ZBSAOGYRXPEXHP-UWVGGRQHSA-N 0 1 235.331 2.386 20 0 BEADMN CC(C)(C)c1noc(-c2coc(CN)c2)n1 ZINC000261905389 135261781 /nfs/dbraw/zinc/26/17/81/135261781.db2.gz ZAYYVVVUZMQFKO-UHFFFAOYSA-N 0 1 221.260 2.086 20 0 BEADMN NC1(c2noc(CCC3CCC3)n2)CCC1 ZINC000262016140 135273076 /nfs/dbraw/zinc/27/30/76/135273076.db2.gz VQWXNIIWBBYGRH-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)N2CCN[C@H](C)C2)CC1 ZINC000262165931 135282948 /nfs/dbraw/zinc/28/29/48/135282948.db2.gz HHXFNBRCACKMIZ-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000262168889 135283611 /nfs/dbraw/zinc/28/36/11/135283611.db2.gz CDAUFMYBGCVQSH-AWEZNQCLSA-N 0 1 247.338 2.416 20 0 BEADMN Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000262181922 135285039 /nfs/dbraw/zinc/28/50/39/135285039.db2.gz DVWUOHAAONGAEK-NWDGAFQWSA-N 0 1 233.311 2.257 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccccc1F)C1CC1 ZINC000262262689 135288187 /nfs/dbraw/zinc/28/81/87/135288187.db2.gz RIEKAKCGYLRSSQ-VIFPVBQESA-N 0 1 237.274 2.263 20 0 BEADMN Cc1cccc(C)c1CN(C)CC(=O)NC(C)C ZINC000342635515 135298557 /nfs/dbraw/zinc/29/85/57/135298557.db2.gz LKZJNHJCFGKOFQ-UHFFFAOYSA-N 0 1 248.370 2.260 20 0 BEADMN COC[C@H]1CCCCN(Cc2nccs2)C1 ZINC000342701344 135307313 /nfs/dbraw/zinc/30/73/13/135307313.db2.gz MXZRXKWVNLGXRR-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1F ZINC000262744432 135316400 /nfs/dbraw/zinc/31/64/00/135316400.db2.gz AXIRGZFVXNCPOA-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN CC[C@@H]1CCC[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262741215 135316593 /nfs/dbraw/zinc/31/65/93/135316593.db2.gz AIQYWEUYOGVKBD-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2C)n1C ZINC000342793698 135319468 /nfs/dbraw/zinc/31/94/68/135319468.db2.gz SBNBDELFCLFRTE-SNVBAGLBSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C(C)C)n1C ZINC000342792861 135319813 /nfs/dbraw/zinc/31/98/13/135319813.db2.gz PZYLVXQFMKXAAP-LLVKDONJSA-N 0 1 209.337 2.205 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@](F)(CO)C2)c1 ZINC000334165636 135322819 /nfs/dbraw/zinc/32/28/19/135322819.db2.gz AIYXNCHNIZQKIC-CQSZACIVSA-N 0 1 237.318 2.210 20 0 BEADMN Cc1cnc(CN2CCC[C@H]3CCC[C@@H]32)n1C ZINC000342776100 135327089 /nfs/dbraw/zinc/32/70/89/135327089.db2.gz GCKPZVUARVGEJL-OLZOCXBDSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1ccc(CC[N@H+]([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000263028712 135327634 /nfs/dbraw/zinc/32/76/34/135327634.db2.gz AYXCHXYXSPIQQQ-GFCCVEGCSA-N 0 1 247.338 2.475 20 0 BEADMN CCC(CC)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263106441 135333061 /nfs/dbraw/zinc/33/30/61/135333061.db2.gz XSGSWNLFQGQOLC-ZYHUDNBSSA-N 0 1 227.348 2.465 20 0 BEADMN COc1ccncc1CN1CC(C)=C[C@@H](C)C1 ZINC000334286606 135339837 /nfs/dbraw/zinc/33/98/37/135339837.db2.gz HEGPJCUIHAEGJE-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN C[C@H]1CCN(Cc2ncnn2C(C)(C)C)[C@H]1C ZINC000334286736 135339935 /nfs/dbraw/zinc/33/99/35/135339935.db2.gz HIIUOFUBVMPQHJ-QWRGUYRKSA-N 0 1 236.363 2.263 20 0 BEADMN O=C([O-])CC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000263277461 135344312 /nfs/dbraw/zinc/34/43/12/135344312.db2.gz YYVKEVFIVRAYRL-UHFFFAOYSA-N 0 1 245.322 2.399 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263352122 135348646 /nfs/dbraw/zinc/34/86/46/135348646.db2.gz QAUKIWCPYZQPPE-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCCC2)C1 ZINC000263371651 135349543 /nfs/dbraw/zinc/34/95/43/135349543.db2.gz VNYHUZRUEQOZFI-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000334307297 135350197 /nfs/dbraw/zinc/35/01/97/135350197.db2.gz HQJPANRVURFXRF-GHMZBOCLSA-N 0 1 249.358 2.382 20 0 BEADMN Cc1nccc(N2C[C@@H](O)C3(CC3)C2)c1Cl ZINC000334310718 135350493 /nfs/dbraw/zinc/35/04/93/135350493.db2.gz JLCOIOIBPMLKFB-SNVBAGLBSA-N 0 1 238.718 2.005 20 0 BEADMN Cc1nccc(N2C[C@H](O)C3(CC3)C2)c1Cl ZINC000334310717 135351106 /nfs/dbraw/zinc/35/11/06/135351106.db2.gz JLCOIOIBPMLKFB-JTQLQIEISA-N 0 1 238.718 2.005 20 0 BEADMN CC(C)[C@@H](Nc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000263420395 135352610 /nfs/dbraw/zinc/35/26/10/135352610.db2.gz PGQUATLPYOAHTK-LLVKDONJSA-N 0 1 247.298 2.094 20 0 BEADMN Cc1cccc(CC[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000263420118 135352650 /nfs/dbraw/zinc/35/26/50/135352650.db2.gz OQDARXZTYWQBEJ-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263427576 135353619 /nfs/dbraw/zinc/35/36/19/135353619.db2.gz RAWJYOSZHCSXQS-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000263436588 135354653 /nfs/dbraw/zinc/35/46/53/135354653.db2.gz UUPRUWSWOZXALC-DLOVCJGASA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000263436588 135354656 /nfs/dbraw/zinc/35/46/56/135354656.db2.gz UUPRUWSWOZXALC-DLOVCJGASA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccoc21 ZINC000263441215 135354678 /nfs/dbraw/zinc/35/46/78/135354678.db2.gz WMCOINLSMLPQJH-VIFPVBQESA-N 0 1 233.267 2.338 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000263450655 135355718 /nfs/dbraw/zinc/35/57/18/135355718.db2.gz ZMBCSOSEUXWKKI-MGPQQGTHSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000263485515 135356913 /nfs/dbraw/zinc/35/69/13/135356913.db2.gz HGGNHYQKTVPJDH-WCQYABFASA-N 0 1 233.311 2.372 20 0 BEADMN C[C@@H](C(=O)[O-])N(C)c1cc[nH+]c2ccsc21 ZINC000263500417 135357463 /nfs/dbraw/zinc/35/74/63/135357463.db2.gz KPXKLGRBIFWCEL-ZETCQYMHSA-N 0 1 236.296 2.206 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263532686 135358059 /nfs/dbraw/zinc/35/80/59/135358059.db2.gz XLUGCFBAMSQZCR-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000334334987 135361935 /nfs/dbraw/zinc/36/19/35/135361935.db2.gz ZDWLQJNEMQPWOB-SSDOTTSWSA-N 0 1 235.262 2.230 20 0 BEADMN CSc1n[nH]c(NC(=O)c2cccc(C)c2)n1 ZINC000334343318 135364515 /nfs/dbraw/zinc/36/45/15/135364515.db2.gz LXVFDIJSBGZUNV-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN O=C(N[C@H]1CC[C@H](F)C1)c1ccc(F)cc1O ZINC000334368764 135373208 /nfs/dbraw/zinc/37/32/08/135373208.db2.gz MJSJMXWKWLZFQB-CBAPKCEASA-N 0 1 241.237 2.152 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000299902075 135381197 /nfs/dbraw/zinc/38/11/97/135381197.db2.gz GFJFBYBTBVQZOR-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cc2ncccn2)C1 ZINC000334385060 135381356 /nfs/dbraw/zinc/38/13/56/135381356.db2.gz MJWUVDZZZKHIJF-LLVKDONJSA-N 0 1 219.332 2.345 20 0 BEADMN c1nc(CN2CC[C@@H](C3CC3)C2)cs1 ZINC000334394762 135387093 /nfs/dbraw/zinc/38/70/93/135387093.db2.gz BIALKONCRYNKII-SNVBAGLBSA-N 0 1 208.330 2.375 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C(C)C)C2)o1 ZINC000334400529 135389575 /nfs/dbraw/zinc/38/95/75/135389575.db2.gz FAULVHQBGCLXEC-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccn1 ZINC000334405943 135394188 /nfs/dbraw/zinc/39/41/88/135394188.db2.gz HOJPAJTUFDPULV-WDEREUQCSA-N 0 1 242.326 2.013 20 0 BEADMN CCN1C[C@H](C)[N@@H+](CC=C(C)C)C[C@H]1C ZINC000334411570 135395683 /nfs/dbraw/zinc/39/56/83/135395683.db2.gz NGDWZYQRKCMODP-OLZOCXBDSA-N 0 1 210.365 2.367 20 0 BEADMN CCN1C[C@H](C)[N@@H+](CC=C(C)C)C[C@@H]1C ZINC000334411573 135395963 /nfs/dbraw/zinc/39/59/63/135395963.db2.gz NGDWZYQRKCMODP-STQMWFEESA-N 0 1 210.365 2.367 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)n1C ZINC000334412173 135396237 /nfs/dbraw/zinc/39/62/37/135396237.db2.gz NNQLTDVCIKYIJC-RYUDHWBXSA-N 0 1 248.374 2.134 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)n1C ZINC000334412171 135396767 /nfs/dbraw/zinc/39/67/67/135396767.db2.gz NNQLTDVCIKYIJC-NWDGAFQWSA-N 0 1 248.374 2.134 20 0 BEADMN C[C@@H]1CCC[C@H]1NCc1nn(C)cc1Cl ZINC000335618742 135418061 /nfs/dbraw/zinc/41/80/61/135418061.db2.gz SNRHRBFPJIIQKH-PSASIEDQSA-N 0 1 227.739 2.352 20 0 BEADMN c1cn(C2CCCC2)nc1CN[C@H]1CCCOC1 ZINC000085174526 135480243 /nfs/dbraw/zinc/48/02/43/135480243.db2.gz AEKQRHCBWGRGBK-ZDUSSCGKSA-N 0 1 249.358 2.267 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2ccc(CN)o2)C1 ZINC000094565457 135615803 /nfs/dbraw/zinc/61/58/03/135615803.db2.gz QLQRMFWYHOPYBP-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN NC1(c2noc(C[C@@H]3C=CCC3)n2)CCCC1 ZINC000334844424 135821240 /nfs/dbraw/zinc/82/12/40/135821240.db2.gz QRKCRPRXQNPROP-SNVBAGLBSA-N 0 1 233.315 2.306 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C=C[C@@H](CO)C2)o1 ZINC000347771360 136009035 /nfs/dbraw/zinc/00/90/35/136009035.db2.gz CZHBVSHWOGBZHM-BYNQJWBRSA-N 0 1 247.338 2.430 20 0 BEADMN CC1(CN2CCc3cccc(F)c3C2)COC1 ZINC000347962233 136017905 /nfs/dbraw/zinc/01/79/05/136017905.db2.gz TYJOHFXGTWLKNR-UHFFFAOYSA-N 0 1 235.302 2.220 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]nc(C)c1C)C(F)(F)F ZINC000348069565 136026339 /nfs/dbraw/zinc/02/63/39/136026339.db2.gz KHJCUCVEWASTHY-SSDOTTSWSA-N 0 1 249.236 2.097 20 0 BEADMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CC1(C)C ZINC000335310560 136028896 /nfs/dbraw/zinc/02/88/96/136028896.db2.gz IFWXQOKEQWECLO-NSHDSACASA-N 0 1 243.310 2.433 20 0 BEADMN Cc1sccc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000335311966 136030021 /nfs/dbraw/zinc/03/00/21/136030021.db2.gz XHNUPCQKXJVYEM-KWQFWETISA-N 0 1 211.330 2.012 20 0 BEADMN CCCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CC1 ZINC000335314526 136031914 /nfs/dbraw/zinc/03/19/14/136031914.db2.gz DCPXQTSQHXTRKX-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](N[C@H]1C[C@H]1C(F)F)c1ccccn1 ZINC000348155387 136040535 /nfs/dbraw/zinc/04/05/35/136040535.db2.gz YGPILXGVZSEGEI-XKSSXDPKSA-N 0 1 212.243 2.386 20 0 BEADMN Cc1[nH]ncc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000335333527 136054392 /nfs/dbraw/zinc/05/43/92/136054392.db2.gz TXUQJSSZCSAITO-UHFFFAOYSA-N 0 1 241.338 2.317 20 0 BEADMN O=C([C@H]1CCC[N@H+]1C1CC1)N1CCCC2(CC2)C1 ZINC000335332912 136054522 /nfs/dbraw/zinc/05/45/22/136054522.db2.gz HGDNVALIBJRJOY-CYBMUJFWSA-N 0 1 248.370 2.016 20 0 BEADMN O=C([C@H]1CCCN1C1CC1)N1CCCC2(CC2)C1 ZINC000335332912 136054523 /nfs/dbraw/zinc/05/45/23/136054523.db2.gz HGDNVALIBJRJOY-CYBMUJFWSA-N 0 1 248.370 2.016 20 0 BEADMN CC1=C[C@@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000335335923 136055875 /nfs/dbraw/zinc/05/58/75/136055875.db2.gz QIOVMPVIYACVHJ-SECBINFHSA-N 0 1 245.326 2.325 20 0 BEADMN CCCCOCCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348238743 136061156 /nfs/dbraw/zinc/06/11/56/136061156.db2.gz ZFPVYRYCEDHGTE-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CCCCOCCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348238746 136061264 /nfs/dbraw/zinc/06/12/64/136061264.db2.gz ZFPVYRYCEDHGTE-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cnc(CN(C)C2CCCC2)nc1 ZINC000335344761 136065818 /nfs/dbraw/zinc/06/58/18/136065818.db2.gz XMZWWMSCGMHYQL-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1ccncc1CCCN1CCOCC1(C)C ZINC000348354861 136072200 /nfs/dbraw/zinc/07/22/00/136072200.db2.gz BHUUWNYMANTTPN-UHFFFAOYSA-N 0 1 248.370 2.433 20 0 BEADMN CC(C)n1cc(CN(C)[C@H]2CC[C@H](C)C2)nn1 ZINC000348408991 136076921 /nfs/dbraw/zinc/07/69/21/136076921.db2.gz MIOMWASZFPPSBF-AAEUAGOBSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1[nH]ncc1CN1CCNc2ccccc21 ZINC000335371586 136083580 /nfs/dbraw/zinc/08/35/80/136083580.db2.gz GUQJGVZIERXZCH-UHFFFAOYSA-N 0 1 228.299 2.150 20 0 BEADMN CC1(F)CC(NCc2cn3ccccc3n2)C1 ZINC000335375427 136085572 /nfs/dbraw/zinc/08/55/72/136085572.db2.gz IIXKDZWURRWYSG-UHFFFAOYSA-N 0 1 233.290 2.315 20 0 BEADMN Cc1ccc(CN2CC(C)(C(N)=O)C2)c(C)n1 ZINC000335394800 136091982 /nfs/dbraw/zinc/09/19/82/136091982.db2.gz KHSMZGQRUPCRPQ-UHFFFAOYSA-N 0 1 233.315 2.056 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000335396412 136092486 /nfs/dbraw/zinc/09/24/86/136092486.db2.gz JJVYBNSYTPVYRX-NEPJUHHUSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@H]2C)nc1 ZINC000335396414 136092777 /nfs/dbraw/zinc/09/27/77/136092777.db2.gz JJVYBNSYTPVYRX-NWDGAFQWSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335400721 136094059 /nfs/dbraw/zinc/09/40/59/136094059.db2.gz NWBNRHFASWAGSL-SMDDNHRTSA-N 0 1 233.311 2.123 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CS3)c(C)n1 ZINC000335583283 136101337 /nfs/dbraw/zinc/10/13/37/136101337.db2.gz BQRWYXSEHMAKRJ-STQMWFEESA-N 0 1 234.368 2.388 20 0 BEADMN Cc1nc(CCN2C[C@@H]3C[C@H]2CS3)cs1 ZINC000335583276 136101394 /nfs/dbraw/zinc/10/13/94/136101394.db2.gz BJGATMWIUNSDCH-QWRGUYRKSA-N 0 1 240.397 2.184 20 0 BEADMN Cc1cccc(CN2C[C@@H]3C[C@H]2CS3)n1 ZINC000335583638 136101479 /nfs/dbraw/zinc/10/14/79/136101479.db2.gz HDZUEFIIRJKKTE-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)[C@H]1CC1(C)C ZINC000335565498 136107454 /nfs/dbraw/zinc/10/74/54/136107454.db2.gz YZKPEQYVRGJQEP-STQMWFEESA-N 0 1 246.354 2.252 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)[C@H]1CC1(C)C ZINC000335565497 136107521 /nfs/dbraw/zinc/10/75/21/136107521.db2.gz YZKPEQYVRGJQEP-QWHCGFSZSA-N 0 1 246.354 2.252 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000335571593 136110065 /nfs/dbraw/zinc/11/00/65/136110065.db2.gz NHQBLZPPAUNKGT-SECBINFHSA-N 0 1 211.334 2.160 20 0 BEADMN CC[C@@H]1CCCN(Cc2cnns2)C1 ZINC000335571593 136110066 /nfs/dbraw/zinc/11/00/66/136110066.db2.gz NHQBLZPPAUNKGT-SECBINFHSA-N 0 1 211.334 2.160 20 0 BEADMN CC(C)n1cc(CN2CCC[C@]23CCOC3)cn1 ZINC000367046991 136112226 /nfs/dbraw/zinc/11/22/26/136112226.db2.gz CQTILYIZNVCDBN-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN C[C@@H](O)CCN1CCc2ccc(Cl)cc2C1 ZINC000335582160 136113231 /nfs/dbraw/zinc/11/32/31/136113231.db2.gz PKKMMFZUFJMQEM-SNVBAGLBSA-N 0 1 239.746 2.469 20 0 BEADMN CCc1ncc(CNC(=O)CC(CC)CC)[nH]1 ZINC001646326359 1172731942 /nfs/dbraw/zinc/73/19/42/1172731942.db2.gz YTQVFSDTULPLEK-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CC(C)C1(O)CN(Cc2cccc3c2CCC3)C1 ZINC001647046733 1172751132 /nfs/dbraw/zinc/75/11/32/1172751132.db2.gz QUNVITOYVQYOHM-UHFFFAOYSA-N 0 1 245.366 2.378 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccnc1 ZINC000071739091 166957134 /nfs/dbraw/zinc/95/71/34/166957134.db2.gz YJQQSDONEJCDLJ-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN COC1CN(C[C@@H]2CCc3ccccc3C2)C1 ZINC001647047031 1172756174 /nfs/dbraw/zinc/75/61/74/1172756174.db2.gz SFUJZBYDYHJSKP-GFCCVEGCSA-N 0 1 231.339 2.122 20 0 BEADMN CCOC(=O)CN1CC(C)(C)CCC1(C)C ZINC001647809569 1172764421 /nfs/dbraw/zinc/76/44/21/1172764421.db2.gz MMLJNGGYKQMYAI-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)C2CC2)n[nH]1 ZINC001647858497 1172772560 /nfs/dbraw/zinc/77/25/60/1172772560.db2.gz HZPJXKHVXAXAQL-LBPRGKRZSA-N 0 1 233.315 2.182 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)C2CC2)n[nH]1 ZINC001647858495 1172773622 /nfs/dbraw/zinc/77/36/22/1172773622.db2.gz HZPJXKHVXAXAQL-GFCCVEGCSA-N 0 1 233.315 2.182 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)C1CCCC1 ZINC000644087149 397754268 /nfs/dbraw/zinc/75/42/68/397754268.db2.gz SIEAWAMQIFGZJL-TUAOUCFPSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nc(CN[C@H](C)CC(C)(C)O)cs1 ZINC000295113685 397756788 /nfs/dbraw/zinc/75/67/88/397756788.db2.gz VLNGPRANQBJNAV-MRVPVSSYSA-N 0 1 228.361 2.091 20 0 BEADMN C[C@@H](N[C@H](C)c1cncs1)c1cnn(C)c1 ZINC000163871090 397788618 /nfs/dbraw/zinc/78/86/18/397788618.db2.gz FQKLMPZEGYPROF-RKDXNWHRSA-N 0 1 236.344 2.288 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000183815075 397867294 /nfs/dbraw/zinc/86/72/94/397867294.db2.gz FCVKOSZJAWXKFZ-CDMKHQONSA-N 0 1 247.342 2.369 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000183815024 397867579 /nfs/dbraw/zinc/86/75/79/397867579.db2.gz FCVKOSZJAWXKFZ-NDMJEZRESA-N 0 1 247.342 2.369 20 0 BEADMN CC[C@H](NCc1ncc(C)s1)[C@H]1CCCO1 ZINC000182302742 397824842 /nfs/dbraw/zinc/82/48/42/397824842.db2.gz KRFUROLCFCGFQL-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1ncsc1CCNCc1nccs1 ZINC000382274397 397928059 /nfs/dbraw/zinc/92/80/59/397928059.db2.gz CCFQEXJVCYUXAD-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Cc1occc1C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000414425119 397934913 /nfs/dbraw/zinc/93/49/13/397934913.db2.gz DXTABULSVPMPES-AWEZNQCLSA-N 0 1 236.359 2.360 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1cnc[nH]1 ZINC000266301170 397935821 /nfs/dbraw/zinc/93/58/21/397935821.db2.gz CWYGKVSTWRGDCW-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000158009909 397940788 /nfs/dbraw/zinc/94/07/88/397940788.db2.gz MGGNGPNQXXJKFZ-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](N(C)Cc1cc2n(n1)CCC2)C1(C)CC1 ZINC000649549446 397941813 /nfs/dbraw/zinc/94/18/13/397941813.db2.gz GMSPTGNFIWMFRS-LLVKDONJSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000650145606 397942852 /nfs/dbraw/zinc/94/28/52/397942852.db2.gz NSONAMCSMKGIAN-XQQFMLRXSA-N 0 1 246.354 2.240 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)c2ccccc2)[C@@H](C)CN1C ZINC000650145606 397942856 /nfs/dbraw/zinc/94/28/56/397942856.db2.gz NSONAMCSMKGIAN-XQQFMLRXSA-N 0 1 246.354 2.240 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000650145923 397942894 /nfs/dbraw/zinc/94/28/94/397942894.db2.gz TYKRATJPPQFXQF-UMSGYPCISA-N 0 1 240.391 2.362 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650145923 397942897 /nfs/dbraw/zinc/94/28/97/397942897.db2.gz TYKRATJPPQFXQF-UMSGYPCISA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccccc1 ZINC000650145607 397943401 /nfs/dbraw/zinc/94/34/01/397943401.db2.gz NSONAMCSMKGIAN-YNEHKIRRSA-N 0 1 246.354 2.240 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccccc2)[C@@H](C)CN1C ZINC000650145607 397943403 /nfs/dbraw/zinc/94/34/03/397943403.db2.gz NSONAMCSMKGIAN-YNEHKIRRSA-N 0 1 246.354 2.240 20 0 BEADMN CC1(C)C(N[C@H](C(N)=O)c2ccccc2)C1(C)C ZINC000358961411 397945154 /nfs/dbraw/zinc/94/51/54/397945154.db2.gz FWTJJOXEMMTBEM-NSHDSACASA-N 0 1 246.354 2.237 20 0 BEADMN CN(CC1(F)CC1)[C@@H](CO)c1ccccc1 ZINC000648714309 397958222 /nfs/dbraw/zinc/95/82/22/397958222.db2.gz PNRZXHBCKCEVTM-LBPRGKRZSA-N 0 1 223.291 2.154 20 0 BEADMN C[C@@H](NCc1ccc(F)cc1)c1ccnn1C ZINC000192245513 397892460 /nfs/dbraw/zinc/89/24/60/397892460.db2.gz QVHIVJUCGQPULX-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN c1nc(CNCCCNc2ccccc2)co1 ZINC000192315639 397893578 /nfs/dbraw/zinc/89/35/78/397893578.db2.gz ZWSJRYDRRWIRSS-UHFFFAOYSA-N 0 1 231.299 2.266 20 0 BEADMN CC(=O)c1cccc(CN(C)CC[C@@H](C)O)c1 ZINC000450442639 397963635 /nfs/dbraw/zinc/96/36/35/397963635.db2.gz SYKAZJOGDRHHTL-LLVKDONJSA-N 0 1 235.327 2.092 20 0 BEADMN CC1(C)CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000649530078 397920096 /nfs/dbraw/zinc/92/00/96/397920096.db2.gz JQUIZFKJSLHYTO-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629376631 397926315 /nfs/dbraw/zinc/92/63/15/397926315.db2.gz JGPBHGIPPMAVJH-KVSVUVNWSA-N 0 1 237.343 2.218 20 0 BEADMN CC[C@H]1CCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000077055659 397996919 /nfs/dbraw/zinc/99/69/19/397996919.db2.gz KZHRBXPJRGHRTD-VIFPVBQESA-N 0 1 238.287 2.137 20 0 BEADMN CSC1(c2nc([C@@H](N)CC(C)C)no2)CC1 ZINC000414625878 397996982 /nfs/dbraw/zinc/99/69/82/397996982.db2.gz XEGHWHDCYJMGRN-QMMMGPOBSA-N 0 1 241.360 2.468 20 0 BEADMN Cc1nnsc1CN1CCC(C2CC2)CC1 ZINC000649616926 397999447 /nfs/dbraw/zinc/99/94/47/397999447.db2.gz UJTIFJDKAZFZSX-UHFFFAOYSA-N 0 1 237.372 2.469 20 0 BEADMN CC(C)O[C@H]1CCCN(Cc2ccno2)C1 ZINC000649697213 398045612 /nfs/dbraw/zinc/04/56/12/398045612.db2.gz BMDNPMZWSHWGAB-NSHDSACASA-N 0 1 224.304 2.064 20 0 BEADMN c1c(CN2CCC(C3CC3)CC2)nn2c1CCC2 ZINC000649616775 398001729 /nfs/dbraw/zinc/00/17/29/398001729.db2.gz PHUHORUEFFXRPU-UHFFFAOYSA-N 0 1 245.370 2.451 20 0 BEADMN CCC[C@@H]1CCCN(Cc2nccn2C)C1 ZINC000121014120 398002196 /nfs/dbraw/zinc/00/21/96/398002196.db2.gz KDZUPCIFFFJSNL-GFCCVEGCSA-N 0 1 221.348 2.432 20 0 BEADMN c1nc(CN[C@H]2C[C@H]2Cc2ccccc2)co1 ZINC000277002883 398025708 /nfs/dbraw/zinc/02/57/08/398025708.db2.gz KDQOSWYQCTZPOU-OCCSQVGLSA-N 0 1 228.295 2.395 20 0 BEADMN COc1ccc(CN2CCC23CCCC3)nn1 ZINC000649658734 398028155 /nfs/dbraw/zinc/02/81/55/398028155.db2.gz WTWBGBOKLVESQP-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CC(=O)c1sc(C2(N)CCCC2)nc1C ZINC000084149829 398038163 /nfs/dbraw/zinc/03/81/63/398038163.db2.gz JRFQHSPAUPOXRG-UHFFFAOYSA-N 0 1 224.329 2.382 20 0 BEADMN CC[C@@H](F)CN[C@H](C)c1cnn(CC)c1 ZINC000451889881 397972084 /nfs/dbraw/zinc/97/20/84/397972084.db2.gz NTHJRSZDNCKDBT-MWLCHTKSSA-N 0 1 213.300 2.302 20 0 BEADMN Cc1nnsc1CN1CCCC2(CC2)C1 ZINC000649586427 397975780 /nfs/dbraw/zinc/97/57/80/397975780.db2.gz CCFFXKGENPEYQX-UHFFFAOYSA-N 0 1 223.345 2.223 20 0 BEADMN Cc1[nH]ncc1CN(C)c1ccccc1 ZINC000272615003 397980427 /nfs/dbraw/zinc/98/04/27/397980427.db2.gz WZTVWVHGQPSRCL-UHFFFAOYSA-N 0 1 201.273 2.355 20 0 BEADMN COc1cccc(C)c1CN(C)[C@H]1CCOC1 ZINC000638028307 398062707 /nfs/dbraw/zinc/06/27/07/398062707.db2.gz IRNCRPOEQORXBG-LBPRGKRZSA-N 0 1 235.327 2.224 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1CCOCC1CC1 ZINC000649721505 398064680 /nfs/dbraw/zinc/06/46/80/398064680.db2.gz ZCGIFENAPSDUQX-KGLIPLIRSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)[C@H](C)CO1 ZINC000649734807 398070262 /nfs/dbraw/zinc/07/02/62/398070262.db2.gz ATBYCHFOPZZWES-JHJVBQTASA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1CN(CCc2cccnc2)[C@H](C)CO1 ZINC000649735034 398076111 /nfs/dbraw/zinc/07/61/11/398076111.db2.gz DWANDDSHQVSTQN-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(CCOCC2CCC2)[C@@H](C)CO1 ZINC000649736799 398078418 /nfs/dbraw/zinc/07/84/18/398078418.db2.gz JNHOWGDMPQRDAX-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CC(=O)CN1CC[C@H](COCc2ccccc2)C1 ZINC000384317752 398081279 /nfs/dbraw/zinc/08/12/79/398081279.db2.gz WLXPOKDPBQIRNT-HNNXBMFYSA-N 0 1 247.338 2.114 20 0 BEADMN Cn1ccnc1CN1CCC2(CC2(F)F)CC1 ZINC000649773055 398094999 /nfs/dbraw/zinc/09/49/99/398094999.db2.gz HTBCAFSFIFDQHS-UHFFFAOYSA-N 0 1 241.285 2.041 20 0 BEADMN Cn1ccc(/C=C\c2nc([C@@H]3CCCN3)no2)c1 ZINC000647145885 398087926 /nfs/dbraw/zinc/08/79/26/398087926.db2.gz HHRZQRQFSYPYJO-WYGGZMRJSA-N 0 1 244.298 2.003 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H](C)CC(C)C ZINC000069397117 398106633 /nfs/dbraw/zinc/10/66/33/398106633.db2.gz DPWXOVWALPAVJH-JTQLQIEISA-N 0 1 237.347 2.407 20 0 BEADMN Cn1nc(C2CC2)nc1CNC1(C2CCC2)CC1 ZINC000649811393 398118787 /nfs/dbraw/zinc/11/87/87/398118787.db2.gz PTWLZEPIDPCURM-UHFFFAOYSA-N 0 1 246.358 2.115 20 0 BEADMN CCn1ncnc1CN1CCCC[C@H]1C(C)C ZINC000193351709 398110994 /nfs/dbraw/zinc/11/09/94/398110994.db2.gz RBCNSOBAAWQLRI-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1nc([C@@H](C)NCC2=CCOCC2)cs1 ZINC000397853042 398123693 /nfs/dbraw/zinc/12/36/93/398123693.db2.gz BDCLNDCEAZPPMX-SECBINFHSA-N 0 1 238.356 2.449 20 0 BEADMN C[C@H](NC[C@H](O)C1CCCCC1)c1ccon1 ZINC000355316046 398124942 /nfs/dbraw/zinc/12/49/42/398124942.db2.gz NFGWEFQXUUQCEV-GWCFXTLKSA-N 0 1 238.331 2.266 20 0 BEADMN CCCCOCCN1C[C@@H](C)OCC12CCC2 ZINC000649824800 398127901 /nfs/dbraw/zinc/12/79/01/398127901.db2.gz LSNWVJGLEBYSRQ-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN CCCCOCCN1C[C@H](C)OCC12CCC2 ZINC000649824801 398128105 /nfs/dbraw/zinc/12/81/05/398128105.db2.gz LSNWVJGLEBYSRQ-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN CCCc1cc(C(=O)N2CC(C)(CC)C2)n[nH]1 ZINC000643297949 398129948 /nfs/dbraw/zinc/12/99/48/398129948.db2.gz JPXTXEAQFRWOCM-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)C2(CCC2)CO1 ZINC000649821344 398122591 /nfs/dbraw/zinc/12/25/91/398122591.db2.gz FHMPVVYETGIZMR-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1cocc1C(=O)Nc1ccc2cncn2c1 ZINC001647938590 1172779748 /nfs/dbraw/zinc/77/97/48/1172779748.db2.gz XWTNAIOYKZIEGR-UHFFFAOYSA-N 0 1 241.250 2.488 20 0 BEADMN O=C(CC1CSC1)Nc1ccc2cncn2c1 ZINC001647938037 1172781458 /nfs/dbraw/zinc/78/14/58/1172781458.db2.gz AYYWYSJFTZPYNO-UHFFFAOYSA-N 0 1 247.323 2.026 20 0 BEADMN CC(C)NC(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000340190396 167052442 /nfs/dbraw/zinc/05/24/42/167052442.db2.gz DTIBMMPKDSCKIJ-UHFFFAOYSA-N 0 1 238.375 2.189 20 0 BEADMN CCCN1CCCC[C@@H]1c1ncccn1 ZINC001648208328 1172812271 /nfs/dbraw/zinc/81/22/71/1172812271.db2.gz PVGGSSJSLMPYPK-LLVKDONJSA-N 0 1 205.305 2.414 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001648613827 1172853562 /nfs/dbraw/zinc/85/35/62/1172853562.db2.gz FJGOKUXTLKQDSP-KBPBESRZSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1nc(C)c(CN2CCC=C(C)C2)o1 ZINC000685580739 487557820 /nfs/dbraw/zinc/55/78/20/487557820.db2.gz FZLAZRUQZIXMIN-UHFFFAOYSA-N 0 1 206.289 2.443 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001648613830 1172855462 /nfs/dbraw/zinc/85/54/62/1172855462.db2.gz FJGOKUXTLKQDSP-ZIAGYGMSSA-N 0 1 249.358 2.252 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000300941765 487559865 /nfs/dbraw/zinc/55/98/65/487559865.db2.gz NIVLUFGIRWPGPY-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN CN(Cc1cc(F)c(F)c(F)c1)C1(CO)CC1 ZINC000668801655 487563188 /nfs/dbraw/zinc/56/31/88/487563188.db2.gz WHUUIOMZZBOJLU-UHFFFAOYSA-N 0 1 245.244 2.061 20 0 BEADMN COc1ccccc1C=CCNCc1cc[nH]n1 ZINC001648755264 1172871579 /nfs/dbraw/zinc/87/15/79/1172871579.db2.gz LEIWBIDZCJBQQO-XQRVVYSFSA-N 0 1 243.310 2.221 20 0 BEADMN CCOc1cccc(NCc2[nH]ncc2C)n1 ZINC000685618264 487565422 /nfs/dbraw/zinc/56/54/22/487565422.db2.gz MVGYDAMYAWJNHH-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN CC(C)[C@@H](O)CCNCc1nc2ccccc2o1 ZINC001649915055 1172880061 /nfs/dbraw/zinc/88/00/61/1172880061.db2.gz BLTQQEZTYSTIFH-LBPRGKRZSA-N 0 1 248.326 2.324 20 0 BEADMN CSC(C)(C)CNCc1nn(C)cc1Cl ZINC001650617113 1172882065 /nfs/dbraw/zinc/88/20/65/1172882065.db2.gz XOOUVXDTQPPUEQ-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN CCn1ccc(CNC[C@@H](OC)C(C)(C)C)n1 ZINC001650516297 1172883836 /nfs/dbraw/zinc/88/38/36/1172883836.db2.gz SEMJBKMJXPXXOF-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1ccc(CNC[C@H](OC)C(C)(C)C)n1 ZINC001650516931 1172883848 /nfs/dbraw/zinc/88/38/48/1172883848.db2.gz SEMJBKMJXPXXOF-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000300973585 487566402 /nfs/dbraw/zinc/56/64/02/487566402.db2.gz RBGAIDFIKDCLQG-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN Cc1cnc(CNCCc2cccc(C)n2)s1 ZINC000296623745 487568533 /nfs/dbraw/zinc/56/85/33/487568533.db2.gz BIIRRQQOWMFWFN-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN CN(C)C1(C(=O)N(C)CC2CCCCC2)CC1 ZINC000665994722 487571477 /nfs/dbraw/zinc/57/14/77/487571477.db2.gz UQMPLTRNQOEJPB-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)OCCCN1CCC[C@H]1c1ncc[nH]1 ZINC000374858326 167212066 /nfs/dbraw/zinc/21/20/66/167212066.db2.gz QJKABMDZWCYRBU-LBPRGKRZSA-N 0 1 237.347 2.362 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1ccsc1 ZINC000685833146 487582354 /nfs/dbraw/zinc/58/23/54/487582354.db2.gz LSWFBASDHGMVHM-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN Cc1ncc(CNCc2cccc3n[nH]cc32)o1 ZINC001651201890 1172931046 /nfs/dbraw/zinc/93/10/46/1172931046.db2.gz BSTDOFPEQIBKFW-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN Cc1cc(CNCc2ccc(C)c(C)n2)[nH]n1 ZINC001651196654 1172931685 /nfs/dbraw/zinc/93/16/85/1172931685.db2.gz CUCASVAXIGGXNP-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CC[N@@H+](Cc1cn[nH]c1)[C@H]1CCOC(C)(C)C1 ZINC000685849201 487586973 /nfs/dbraw/zinc/58/69/73/487586973.db2.gz GUPSSUHUPNPUEK-LBPRGKRZSA-N 0 1 237.347 2.189 20 0 BEADMN C[C@@H]1CN(CC2(F)CC2)CCC1(F)F ZINC000685849294 487588089 /nfs/dbraw/zinc/58/80/89/487588089.db2.gz MBIRVULVJZYHCV-MRVPVSSYSA-N 0 1 207.239 2.466 20 0 BEADMN CC(C)O[C@@H]1C[C@H](NCc2cocn2)C1(C)C ZINC000361025115 167281907 /nfs/dbraw/zinc/28/19/07/167281907.db2.gz JIFLMLJEVMGVKF-NWDGAFQWSA-N 0 1 238.331 2.356 20 0 BEADMN O[C@H]1CCCC[C@H]1CCNCc1cscn1 ZINC001651625913 1172966263 /nfs/dbraw/zinc/96/62/63/1172966263.db2.gz AMYIRFQDXAMXQN-JQWIXIFHSA-N 0 1 240.372 2.174 20 0 BEADMN O=c1oc2ccc(CNC/C=C/Cl)cc2o1 ZINC001651651176 1172968384 /nfs/dbraw/zinc/96/83/84/1172968384.db2.gz CVIREHUXBZRWKN-DAFODLJHSA-N 0 1 239.658 2.228 20 0 BEADMN CC(C)SCCN1CCO[C@H]2CCC[C@@H]21 ZINC000369503349 167325310 /nfs/dbraw/zinc/32/53/10/167325310.db2.gz KUOBDYZEGZFPOU-RYUDHWBXSA-N 0 1 229.389 2.381 20 0 BEADMN CC(C)SCCN1CCOCC1(C)C ZINC000338235857 167325779 /nfs/dbraw/zinc/32/57/79/167325779.db2.gz NMFHEXCRMGLQGK-UHFFFAOYSA-N 0 1 217.378 2.239 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)oc2C)C[C@@H]1C ZINC000660720289 409645167 /nfs/dbraw/zinc/64/51/67/409645167.db2.gz IOVOGZPIOGLDQT-ZANVPECISA-N 0 1 238.331 2.148 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1nc2ccccc2s1 ZINC000650186977 409686286 /nfs/dbraw/zinc/68/62/86/409686286.db2.gz KNSDFCNIQPPNQC-MWLCHTKSSA-N 0 1 248.351 2.251 20 0 BEADMN CO[C@@H]1C[C@H](NCc2coc(C)n2)C12CCC2 ZINC000660780171 409739127 /nfs/dbraw/zinc/73/91/27/409739127.db2.gz ZMAUUWYNERQPEC-NWDGAFQWSA-N 0 1 236.315 2.030 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000308786272 409905174 /nfs/dbraw/zinc/90/51/74/409905174.db2.gz GGCVBOWZXKTACA-UWVGGRQHSA-N 0 1 215.337 2.464 20 0 BEADMN CCC(CC)(CNCc1nccs1)OC ZINC000308820919 409909055 /nfs/dbraw/zinc/90/90/55/409909055.db2.gz JPQWDMPUOWKKLY-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000662887571 409965393 /nfs/dbraw/zinc/96/53/93/409965393.db2.gz JSMBETVQPGUAKA-LBPRGKRZSA-N 0 1 248.326 2.471 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)C2(CCC2)CO1 ZINC000651975548 409967435 /nfs/dbraw/zinc/96/74/35/409967435.db2.gz GHYYQVNYGRIKSD-GFCCVEGCSA-N 0 1 234.343 2.169 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C(=O)[O-] ZINC000663317388 410110757 /nfs/dbraw/zinc/11/07/57/410110757.db2.gz NCZRXYSSTWZZRO-LBELIVKGSA-N 0 1 237.343 2.075 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)Nc1cc(C)on1 ZINC000661105500 410243682 /nfs/dbraw/zinc/24/36/82/410243682.db2.gz IKQUVWBZWWRDPP-VIFPVBQESA-N 0 1 239.319 2.042 20 0 BEADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCCCCF ZINC000309138564 410261021 /nfs/dbraw/zinc/26/10/21/410261021.db2.gz SUIMSTJQVFXSOD-SNVBAGLBSA-N 0 1 249.351 2.018 20 0 BEADMN C[C@H]1C[N@@H+](CCCCCF)CC[C@@H]1C(=O)[O-] ZINC000309145781 410263883 /nfs/dbraw/zinc/26/38/83/410263883.db2.gz IRLXRLWUOBMCJD-QWRGUYRKSA-N 0 1 231.311 2.169 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000162769539 487614443 /nfs/dbraw/zinc/61/44/43/487614443.db2.gz OWMKAACZIBYQAF-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN CCC[C@H](NC(=O)[C@H](C)N(C)C)C1CCC1 ZINC000655452346 410293159 /nfs/dbraw/zinc/29/31/59/410293159.db2.gz VIHYHUOUROAMTL-JQWIXIFHSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ccncc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000135552541 487616420 /nfs/dbraw/zinc/61/64/20/487616420.db2.gz FOWVXYURNINCEO-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CCC[C@@H](C)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794931 410445006 /nfs/dbraw/zinc/44/50/06/410445006.db2.gz KTBUKINPFXPROC-VWYCJHECSA-N 0 1 213.321 2.360 20 0 BEADMN COCCN(Cc1cc(C)on1)C1CCCC1 ZINC000046600554 410505945 /nfs/dbraw/zinc/50/59/45/410505945.db2.gz WSXATVHRTLOXGI-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000650805678 410511428 /nfs/dbraw/zinc/51/14/28/410511428.db2.gz HORXCHJBDMLAEX-MWLCHTKSSA-N 0 1 241.356 2.474 20 0 BEADMN CCC[C@@H](C)NC(=O)c1cnccc1N(C)C ZINC000680574300 487616825 /nfs/dbraw/zinc/61/68/25/487616825.db2.gz MSLOYGYUMQLIAX-SNVBAGLBSA-N 0 1 235.331 2.066 20 0 BEADMN C/C(=C/C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000161658137 166231741 /nfs/dbraw/zinc/23/17/41/166231741.db2.gz BQQJLLMFMSBSMM-MBACFSSFSA-N 0 1 247.342 2.122 20 0 BEADMN CC(C)NC(=O)CN1CCC(C2CCC2)CC1 ZINC000661375788 410590300 /nfs/dbraw/zinc/59/03/00/410590300.db2.gz DIEHQRLFCMKLNR-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccco2)no1 ZINC000070131153 410698196 /nfs/dbraw/zinc/69/81/96/410698196.db2.gz CLNHJSLSUJUNEJ-SSDOTTSWSA-N 0 1 207.233 2.000 20 0 BEADMN CC(C)(O)C(C)(C)CNCc1nccs1 ZINC000393593266 410752051 /nfs/dbraw/zinc/75/20/51/410752051.db2.gz SFMQNVWELKKRMS-UHFFFAOYSA-N 0 1 228.361 2.030 20 0 BEADMN CCC[C@@H](CNCc1nccn1C(F)F)OC ZINC000393930245 410767040 /nfs/dbraw/zinc/76/70/40/410767040.db2.gz IGKFFMZHDXYDAU-VIFPVBQESA-N 0 1 247.289 2.183 20 0 BEADMN O=c1cc(-c2ccccc2)[nH]n1-c1ccncc1 ZINC000102362064 410832674 /nfs/dbraw/zinc/83/26/74/410832674.db2.gz KYRWHSNGLIGVTM-UHFFFAOYSA-N 0 1 237.262 2.223 20 0 BEADMN OCC1CCN(Cc2cccn2C(F)F)CC1 ZINC001652098009 1173032041 /nfs/dbraw/zinc/03/20/41/1173032041.db2.gz DSSUYOZUEYNCNQ-UHFFFAOYSA-N 0 1 244.285 2.088 20 0 BEADMN CC(C)NC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000066854460 167048674 /nfs/dbraw/zinc/04/86/74/167048674.db2.gz HYEFJJBLXVPUQA-CYBMUJFWSA-N 0 1 248.370 2.247 20 0 BEADMN CC(C)NC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000066854461 167049616 /nfs/dbraw/zinc/04/96/16/167049616.db2.gz HYEFJJBLXVPUQA-ZDUSSCGKSA-N 0 1 248.370 2.247 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1ccc2cncn2c1 ZINC000284465157 167366615 /nfs/dbraw/zinc/36/66/15/167366615.db2.gz JOXZWPSHSXGNLQ-LLVKDONJSA-N 0 1 245.326 2.451 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000087223933 487619694 /nfs/dbraw/zinc/61/96/94/487619694.db2.gz KHRNIOAOSQYBGJ-SECBINFHSA-N 0 1 222.288 2.010 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000300876723 411127773 /nfs/dbraw/zinc/12/77/73/411127773.db2.gz QTYLKSLATQHZBE-LLVKDONJSA-N 0 1 227.348 2.465 20 0 BEADMN CC/C=C(/C)c1nc([C@@H]2CCCN2)no1 ZINC000309507684 411155407 /nfs/dbraw/zinc/15/54/07/411155407.db2.gz NWQGGCZUHVTLTJ-RDOCRHDPSA-N 0 1 207.277 2.307 20 0 BEADMN Cc1cc(CNC(=O)N[C@]2(C)CC=CCC2)n[nH]1 ZINC000655573063 411156844 /nfs/dbraw/zinc/15/68/44/411156844.db2.gz YIBQVCBKJYKWCS-CYBMUJFWSA-N 0 1 248.330 2.016 20 0 BEADMN Fc1ccc(CN[C@H]2COC3(CCC3)C2)nc1 ZINC000657911255 411164506 /nfs/dbraw/zinc/16/45/06/411164506.db2.gz XINCBNYYFVROBS-GFCCVEGCSA-N 0 1 236.290 2.022 20 0 BEADMN COc1cc(CN(C)[C@@H](C)C2(C)CC2)on1 ZINC000659995175 411160749 /nfs/dbraw/zinc/16/07/49/411160749.db2.gz YBBNTOVBJXTQQX-VIFPVBQESA-N 0 1 224.304 2.304 20 0 BEADMN COc1ccc(CN(C)[C@H](C)CCO)c(F)c1 ZINC000652049682 411095126 /nfs/dbraw/zinc/09/51/26/411095126.db2.gz LUKXDWWGYQKBDY-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CC(C)C ZINC000300848821 411127184 /nfs/dbraw/zinc/12/71/84/411127184.db2.gz FAXXCAGWQXQMET-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1cncc(CN[C@H]2CCCn3nccc32)c1 ZINC000657935268 411172328 /nfs/dbraw/zinc/17/23/28/411172328.db2.gz INMJUQJDEAPMDW-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])[C@@H]1CCCOC1 ZINC000402603354 411175194 /nfs/dbraw/zinc/17/51/94/411175194.db2.gz LNWLLGOWALBTIO-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)cs1 ZINC000656101072 411178110 /nfs/dbraw/zinc/17/81/10/411178110.db2.gz HOCYMCRGIUYDOS-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CCCC1 ZINC000401141131 411178088 /nfs/dbraw/zinc/17/80/88/411178088.db2.gz YPFXZTOIOBBNMW-AVGNSLFASA-N 0 1 235.327 2.282 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC2=CCCC2)C1 ZINC000401120684 411178237 /nfs/dbraw/zinc/17/82/37/411178237.db2.gz NMCJTHLOGAODIT-CYBMUJFWSA-N 0 1 223.316 2.283 20 0 BEADMN CCC(CC)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101660 411178959 /nfs/dbraw/zinc/17/89/59/411178959.db2.gz QAJUKVJJARTHMH-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000652445153 411243318 /nfs/dbraw/zinc/24/33/18/411243318.db2.gz HGSVFBBMEWFAKU-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN c1cn2c(n1)[C@H](NCCOCC1CCC1)CCC2 ZINC000655755014 411185148 /nfs/dbraw/zinc/18/51/48/411185148.db2.gz LHJBFCGOKGIIHV-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN COc1cccc(CN(C)[C@H](C)CO)c1Cl ZINC000660125674 411243872 /nfs/dbraw/zinc/24/38/72/411243872.db2.gz POJNVGHFZKCXML-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN CN(Cc1cccnc1)[C@H]1COC(C)(C)C1 ZINC000660125812 411244380 /nfs/dbraw/zinc/24/43/80/411244380.db2.gz LEXYRJKKXBOCBD-GFCCVEGCSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000113675231 411244447 /nfs/dbraw/zinc/24/44/47/411244447.db2.gz TUZXEZAMOAGVFT-MFKMUULPSA-N 0 1 233.311 2.473 20 0 BEADMN C[C@@H](NCCF)c1cc2cnccc2o1 ZINC000658003342 411195122 /nfs/dbraw/zinc/19/51/22/411195122.db2.gz MHSYSPUFKIMZSG-MRVPVSSYSA-N 0 1 208.236 2.448 20 0 BEADMN C[C@@H](N[C@H](CO)CCF)c1cc(F)ccc1F ZINC000652306544 411196158 /nfs/dbraw/zinc/19/61/58/411196158.db2.gz XRISXIAPSKXCMS-SCZZXKLOSA-N 0 1 247.260 2.336 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCC23CCC3)c2ncnn21 ZINC000658099875 411245220 /nfs/dbraw/zinc/24/52/20/411245220.db2.gz CDCKLGKOMFVCTJ-VWYCJHECSA-N 0 1 232.331 2.206 20 0 BEADMN CC[C@@H](NCc1ccon1)[C@@H]1CCCCO1 ZINC000653872882 411203397 /nfs/dbraw/zinc/20/33/97/411203397.db2.gz HURUOFCMNVRLTC-NEPJUHHUSA-N 0 1 224.304 2.112 20 0 BEADMN CCc1ncc(CN[C@@H]2COC3(CCC3)C2)o1 ZINC000658028105 411205047 /nfs/dbraw/zinc/20/50/47/411205047.db2.gz GUEJVQNDMNBPMY-JTQLQIEISA-N 0 1 236.315 2.038 20 0 BEADMN CC(C)C1CC(N[C@H]2C[C@H](C)n3ncnc32)C1 ZINC000658099832 411245441 /nfs/dbraw/zinc/24/54/41/411245441.db2.gz DQTBRGNZWXZDPA-XKGSQUFQSA-N 0 1 234.347 2.308 20 0 BEADMN C[C@H](Cc1ccoc1)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000658100313 411245583 /nfs/dbraw/zinc/24/55/83/411245583.db2.gz DZFMPRNOASGSSW-CKYFFXLPSA-N 0 1 246.314 2.098 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOCC3)nc1 ZINC000334792354 411245731 /nfs/dbraw/zinc/24/57/31/411245731.db2.gz LSLXORJQZZTVQW-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN C[C@H](O)CN(Cc1cc(F)ccc1F)C1CC1 ZINC000653896885 411214271 /nfs/dbraw/zinc/21/42/71/411214271.db2.gz YTLXGYZPVKEDFT-VIFPVBQESA-N 0 1 241.281 2.310 20 0 BEADMN CO[C@@H](C)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903089 411219814 /nfs/dbraw/zinc/21/98/14/411219814.db2.gz DLYYAPXRDCFETR-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1nsc(C)c1CN(C[C@@H](C)O)C1CC1 ZINC000653904427 411220706 /nfs/dbraw/zinc/22/07/06/411220706.db2.gz SXFHPOWOXZRJLD-MRVPVSSYSA-N 0 1 240.372 2.105 20 0 BEADMN CC[C@H](N[C@@H]1COC(C)(C)C1)c1nccn1C ZINC000658056408 411222832 /nfs/dbraw/zinc/22/28/32/411222832.db2.gz BHSLVPXEWONAGT-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](N[C@@H]1COC(C)(C)C1)c1ccn(C)n1 ZINC000658057882 411225875 /nfs/dbraw/zinc/22/58/75/411225875.db2.gz JWNJLMVHAMZJJK-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000658060741 411227276 /nfs/dbraw/zinc/22/72/76/411227276.db2.gz PUIWEGIIUGZWPL-GHMZBOCLSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@H](F)CC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000652455559 411247252 /nfs/dbraw/zinc/24/72/52/411247252.db2.gz POGFHQDVDKRTPR-NSHDSACASA-N 0 1 239.290 2.321 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652401198 411229827 /nfs/dbraw/zinc/22/98/27/411229827.db2.gz QKPVUQLFYGFGAE-BXKDBHETSA-N 0 1 237.274 2.293 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652401201 411229862 /nfs/dbraw/zinc/22/98/62/411229862.db2.gz QKPVUQLFYGFGAE-SKDRFNHKSA-N 0 1 237.274 2.293 20 0 BEADMN CCC[N@@H+](CCCCOC(C)(C)C)CC(=O)[O-] ZINC000652465122 411248528 /nfs/dbraw/zinc/24/85/28/411248528.db2.gz ALQDJLMPOJCOFX-UHFFFAOYSA-N 0 1 245.363 2.378 20 0 BEADMN CC[N@@H+](Cc1ccoc1)CC1(CC(=O)[O-])CC1 ZINC000652408292 411231422 /nfs/dbraw/zinc/23/14/22/411231422.db2.gz VLQWJSSGBAUTCP-UHFFFAOYSA-N 0 1 237.299 2.356 20 0 BEADMN CCc1ccccc1C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000086807074 411261875 /nfs/dbraw/zinc/26/18/75/411261875.db2.gz AKMSVFXIWLPYCU-NSHDSACASA-N 0 1 235.327 2.402 20 0 BEADMN CC1(C)C[C@H]1NCc1cc2n(n1)CCCC2 ZINC000655714775 411267611 /nfs/dbraw/zinc/26/76/11/411267611.db2.gz DCNCCQADIBINJB-GFCCVEGCSA-N 0 1 219.332 2.108 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)n1cc(CNC2CC2)nn1 ZINC000656458601 411268197 /nfs/dbraw/zinc/26/81/97/411268197.db2.gz BXKUGJNOEBXTNZ-SMDDNHRTSA-N 0 1 248.374 2.455 20 0 BEADMN CCn1nncc1CN[C@H](C)c1cccc(F)c1 ZINC000656460227 411268721 /nfs/dbraw/zinc/26/87/21/411268721.db2.gz QZULTFRGRAFAIF-SNVBAGLBSA-N 0 1 248.305 2.288 20 0 BEADMN N[C@H](c1cn(C2CCCC2)nn1)c1ccccc1 ZINC000656462615 411270878 /nfs/dbraw/zinc/27/08/78/411270878.db2.gz HFPBVERBPYUZTG-AWEZNQCLSA-N 0 1 242.326 2.441 20 0 BEADMN C[C@@H]1CN(Cc2nsc3ccccc32)C[C@H]1O ZINC000660159896 411271860 /nfs/dbraw/zinc/27/18/60/411271860.db2.gz HOYGQMDVWPYPPI-BXKDBHETSA-N 0 1 248.351 2.109 20 0 BEADMN Oc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000656685805 411327781 /nfs/dbraw/zinc/32/77/81/411327781.db2.gz MICYJVPVIPSCPT-UHFFFAOYSA-N 0 1 233.311 2.005 20 0 BEADMN CNC(C)(C)c1cn(-c2cccc(F)c2C)nn1 ZINC000656451495 411273447 /nfs/dbraw/zinc/27/34/47/411273447.db2.gz QJQUSAKWOLLYFC-UHFFFAOYSA-N 0 1 248.305 2.169 20 0 BEADMN C[C@@H](NCCO[C@H]1CC1(F)F)c1nccs1 ZINC000658167595 411278066 /nfs/dbraw/zinc/27/80/66/411278066.db2.gz FCWHEKJLPGDSBE-SFYZADRCSA-N 0 1 248.298 2.218 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659790129 411279759 /nfs/dbraw/zinc/27/97/59/411279759.db2.gz XEBUGYAYNZPBGI-NEPJUHHUSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1CC=CC1 ZINC000659789629 411279827 /nfs/dbraw/zinc/27/98/27/411279827.db2.gz SNACEUHIWDYQHO-GFCCVEGCSA-N 0 1 225.332 2.384 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000659791295 411283107 /nfs/dbraw/zinc/28/31/07/411283107.db2.gz RFLGXXVESJSYHW-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC=CC1)C1CCCC1 ZINC000659791651 411284224 /nfs/dbraw/zinc/28/42/24/411284224.db2.gz RHOZWZXGIXQEDW-UHFFFAOYSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@H](O)CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000649418969 411284484 /nfs/dbraw/zinc/28/44/84/411284484.db2.gz WIRIAZIHVUJOLM-LPEHRKFASA-N 0 1 239.281 2.420 20 0 BEADMN c1coc([C@@H]2C[C@H]2N[C@@H]2CCCn3ccnc32)c1 ZINC000655777106 411287942 /nfs/dbraw/zinc/28/79/42/411287942.db2.gz RILHFWISVYPXRT-IJLUTSLNSA-N 0 1 243.310 2.457 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799304 411289507 /nfs/dbraw/zinc/28/95/07/411289507.db2.gz ABKIUVOVOCPRNG-KWBADKCTSA-N 0 1 249.285 2.293 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2cc3n(n2)CCC3)C1 ZINC000649545466 411289721 /nfs/dbraw/zinc/28/97/21/411289721.db2.gz GVFBQXGUTWETCY-VXGBXAGGSA-N 0 1 233.359 2.450 20 0 BEADMN CC(C)CCOCCN1C[C@@H](C)OC[C@H]1C ZINC000056283589 411290697 /nfs/dbraw/zinc/29/06/97/411290697.db2.gz CVMDTRDLMKNNGN-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000659800991 411291348 /nfs/dbraw/zinc/29/13/48/411291348.db2.gz BRVYBRFEKBQYIZ-BETUJISGSA-N 0 1 233.311 2.290 20 0 BEADMN FC(F)(F)CCN[C@H]1CCCn2ccnc21 ZINC000655720744 411292328 /nfs/dbraw/zinc/29/23/28/411292328.db2.gz FJQKFUMWBYRULY-QMMMGPOBSA-N 0 1 233.237 2.260 20 0 BEADMN C[C@@H]1CCC[C@@H](CN[C@H]2CCCn3ccnc32)O1 ZINC000658214548 411295898 /nfs/dbraw/zinc/29/58/98/411295898.db2.gz BRXLONMYAIKUEA-AGIUHOORSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CCC(F)(F)F ZINC000070914556 411299084 /nfs/dbraw/zinc/29/90/84/411299084.db2.gz HFLJFABHPDRDNP-UHFFFAOYSA-N 0 1 227.226 2.124 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1nccn1C ZINC000658219984 411299342 /nfs/dbraw/zinc/29/93/42/411299342.db2.gz OWIRRGGKOAKAEH-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ccn(C)n1 ZINC000658221350 411301294 /nfs/dbraw/zinc/30/12/94/411301294.db2.gz LIOFBHNLSYASHY-PSASIEDQSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@@H](Cc1ccco1)c1nc([C@@H]2CCCN2)no1 ZINC000656561436 411301845 /nfs/dbraw/zinc/30/18/45/411301845.db2.gz VGMQRYJREURJPK-ONGXEEELSA-N 0 1 247.298 2.433 20 0 BEADMN CCC/C=C\c1nc([C@@H]2CCCN2)no1 ZINC000656560543 411304766 /nfs/dbraw/zinc/30/47/66/411304766.db2.gz APKZFUMNRIMAIB-WYDVEAGSSA-N 0 1 207.277 2.307 20 0 BEADMN COc1ccnc(CNC2CC(C)C2)c1F ZINC000658225516 411304881 /nfs/dbraw/zinc/30/48/81/411304881.db2.gz UNCIAEUUWNCHQE-UHFFFAOYSA-N 0 1 224.279 2.117 20 0 BEADMN CCCc1ncc(CN[C@H]2COC(C)(C)C2)o1 ZINC000418109668 411308167 /nfs/dbraw/zinc/30/81/67/411308167.db2.gz CWSJKCDFDHMFGJ-SNVBAGLBSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000359680473 411313737 /nfs/dbraw/zinc/31/37/37/411313737.db2.gz KFAZIQDHDLKAQM-NSHDSACASA-N 0 1 243.310 2.220 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1nccs1 ZINC000658251468 411314757 /nfs/dbraw/zinc/31/47/57/411314757.db2.gz HKGQXDQZMNJOSW-IVZWLZJFSA-N 0 1 238.356 2.097 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000659838048 411316875 /nfs/dbraw/zinc/31/68/75/411316875.db2.gz LSFZRGZUBVYEIT-ZSBIGDGJSA-N 0 1 220.316 2.461 20 0 BEADMN c1n[nH]cc1CN1CC(C2CCCCC2)C1 ZINC000656674267 411321767 /nfs/dbraw/zinc/32/17/67/411321767.db2.gz DKXDIFYVOVEYKU-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1csc(CN2CCCCC[C@@H]2CO)n1 ZINC000124830202 411324978 /nfs/dbraw/zinc/32/49/78/411324978.db2.gz CXJQWUQINVDMKY-LLVKDONJSA-N 0 1 240.372 2.188 20 0 BEADMN CCCCC[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467607 411248947 /nfs/dbraw/zinc/24/89/47/411248947.db2.gz FDNKLYOWIZEGEC-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)=CC[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467925 411249147 /nfs/dbraw/zinc/24/91/47/411249147.db2.gz OOUVLAPAAQWGGT-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])CC[N@@H+](CCCCCF)CC1CC1 ZINC000652468093 411249158 /nfs/dbraw/zinc/24/91/58/411249158.db2.gz WKNOJQSXBUXDSK-UHFFFAOYSA-N 0 1 231.311 2.313 20 0 BEADMN CCCCn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000656443243 411251355 /nfs/dbraw/zinc/25/13/55/411251355.db2.gz YJSYGYVFIKKMBD-ZDUSSCGKSA-N 0 1 248.305 2.265 20 0 BEADMN CC(C)c1cccc(CN(C)[C@H]2CCNC2=O)c1 ZINC000660134907 411253208 /nfs/dbraw/zinc/25/32/08/411253208.db2.gz UINMYJCHTGBBFK-AWEZNQCLSA-N 0 1 246.354 2.130 20 0 BEADMN C[C@H](NC/C=C/CO)c1ccc2ccccc2n1 ZINC000658132143 411255192 /nfs/dbraw/zinc/25/51/92/411255192.db2.gz GMTYQXFVXYFWCK-ITKZLYELSA-N 0 1 242.322 2.434 20 0 BEADMN CCc1ccc([C@H](C)NC/C=C/CO)o1 ZINC000658131705 411255451 /nfs/dbraw/zinc/25/54/51/411255451.db2.gz DBCOTMDSXDYQEF-YEZKRMTDSA-N 0 1 209.289 2.041 20 0 BEADMN C[C@H](NC/C=C\CO)c1ccc2ccccc2n1 ZINC000658132145 411255552 /nfs/dbraw/zinc/25/55/52/411255552.db2.gz GMTYQXFVXYFWCK-RXNFCKPNSA-N 0 1 242.322 2.434 20 0 BEADMN CCn1ccnc1NCc1ccnn1CC1CC1 ZINC000656776567 411356344 /nfs/dbraw/zinc/35/63/44/411356344.db2.gz SXTFPMCUAXXPLE-UHFFFAOYSA-N 0 1 245.330 2.122 20 0 BEADMN CCc1nc([C@H](C)N(C)CC(C)(C)C)n[nH]1 ZINC000659871027 411356555 /nfs/dbraw/zinc/35/65/55/411356555.db2.gz LGWOUEMNFYKVJQ-VIFPVBQESA-N 0 1 224.352 2.406 20 0 BEADMN CCc1ccc(C)nc1NCc1cncn1C ZINC000656777944 411358993 /nfs/dbraw/zinc/35/89/93/411358993.db2.gz IJBOHIZUMHECPD-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000070947164 411370170 /nfs/dbraw/zinc/37/01/70/411370170.db2.gz PYXVXDMTXOQGPF-QMMMGPOBSA-N 0 1 219.244 2.063 20 0 BEADMN CCCCCc1nc([C@H]2CCCN2)no1 ZINC000070947089 411370988 /nfs/dbraw/zinc/37/09/88/411370988.db2.gz LEQIJQBZSLCMTC-SECBINFHSA-N 0 1 209.293 2.227 20 0 BEADMN CN(Cc1cnc2ccccc2n1)C1CC1 ZINC000659842773 411334607 /nfs/dbraw/zinc/33/46/07/411334607.db2.gz SZXIQOVFWRVIKE-UHFFFAOYSA-N 0 1 213.284 2.224 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000656715140 411337841 /nfs/dbraw/zinc/33/78/41/411337841.db2.gz SVMUFPCPCJQEAT-CQSZACIVSA-N 0 1 246.354 2.269 20 0 BEADMN CCc1cccnc1[C@@H](C)N[C@@H]1C[C@]1(C)OC ZINC000658333357 411340579 /nfs/dbraw/zinc/34/05/79/411340579.db2.gz WRNWNFSJWFJODW-QKCSRTOESA-N 0 1 234.343 2.472 20 0 BEADMN C1=CO[C@@H](C[N@H+]2CCOCC23CCCC3)CC1 ZINC000373201375 411343235 /nfs/dbraw/zinc/34/32/35/411343235.db2.gz DJPPLHLABKMCGC-CYBMUJFWSA-N 0 1 237.343 2.324 20 0 BEADMN CC1CCC(C[N@H+]2CC3CC2(C(=O)[O-])C3)CC1 ZINC000656761235 411345058 /nfs/dbraw/zinc/34/50/58/411345058.db2.gz PSGHPEDKIUWJAV-UHFFFAOYSA-N 0 1 237.343 2.362 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccc(F)cc1F ZINC000310547088 168008123 /nfs/dbraw/zinc/00/81/23/168008123.db2.gz FCDONORWNSGLDU-GFCCVEGCSA-N 0 1 241.281 2.310 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1cc(F)ccc1F ZINC000129363510 168008589 /nfs/dbraw/zinc/00/85/89/168008589.db2.gz WLZIOUOWXVQILO-VXGBXAGGSA-N 0 1 241.281 2.214 20 0 BEADMN CC1(C)[C@@H]2CN(C(=O)c3ccc(F)cc3O)C[C@@H]21 ZINC000179006873 168012101 /nfs/dbraw/zinc/01/21/01/168012101.db2.gz HVDCGHPWMROBCH-PHIMTYICSA-N 0 1 249.285 2.259 20 0 BEADMN CC1(CNc2ccc3nc[nH]c3c2)COC1 ZINC000309830566 168048174 /nfs/dbraw/zinc/04/81/74/168048174.db2.gz YLQKOQDWTVVNQT-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN CC1(C[NH2+]Cc2cccc([O-])c2Cl)COC1 ZINC000336903912 168043026 /nfs/dbraw/zinc/04/30/26/168043026.db2.gz VOXUMBUMUQEOJW-UHFFFAOYSA-N 0 1 241.718 2.172 20 0 BEADMN CC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCC1 ZINC000268137123 168059524 /nfs/dbraw/zinc/05/95/24/168059524.db2.gz HEHPMEAPKVMDKP-JTQLQIEISA-N 0 1 247.342 2.279 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656765954 411348847 /nfs/dbraw/zinc/34/88/47/411348847.db2.gz PNUKLETWZHPMJI-GRYCIOLGSA-N 0 1 243.347 2.129 20 0 BEADMN CC1=CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000281815707 168097528 /nfs/dbraw/zinc/09/75/28/168097528.db2.gz OGQZXTBLRMFLCW-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN CC1=CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000285868727 168098662 /nfs/dbraw/zinc/09/86/62/168098662.db2.gz HXGQVWRQIKAEAF-UHFFFAOYSA-N 0 1 241.294 2.127 20 0 BEADMN CC1=CC[N@@H+](Cc2ccc(C(=O)[O-])o2)CC1 ZINC000075423243 168116423 /nfs/dbraw/zinc/11/64/23/168116423.db2.gz BLHUZTGHYHMZMI-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN(C)Cc2nnc[nH]2)C1 ZINC000290312038 168128944 /nfs/dbraw/zinc/12/89/44/168128944.db2.gz AQRQFTQLOINFNP-JQWIXIFHSA-N 0 1 234.347 2.229 20 0 BEADMN CC[C@@H]1CN([C@@H]2COC(C)(C)C2)C[C@@H](C)O1 ZINC000659916628 411381409 /nfs/dbraw/zinc/38/14/09/411381409.db2.gz CTYSPTJHMZZXQV-GRYCIOLGSA-N 0 1 227.348 2.053 20 0 BEADMN CC1CCC(C)(NC(=O)[C@@H]2CCCN2C)CC1 ZINC000114074667 168151007 /nfs/dbraw/zinc/15/10/07/168151007.db2.gz XRBNNNNGAOGTFG-LXVYMNJGSA-N 0 1 238.375 2.166 20 0 BEADMN CC1CCC(N(C)C(=O)CN(C)C2CC2)CC1 ZINC000046601980 168158485 /nfs/dbraw/zinc/15/84/85/168158485.db2.gz AMNSOTRDEJLEDY-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](NC1CCC(C)CC1)c1ncn(C)n1 ZINC000309379867 168164958 /nfs/dbraw/zinc/16/49/58/168164958.db2.gz AEHFQWFBVCLCQA-YVNMAJEFSA-N 0 1 222.336 2.044 20 0 BEADMN C[N@H+](CC(=O)[O-])C[C@@H]1CCCCC1(C)C ZINC000662199471 411375983 /nfs/dbraw/zinc/37/59/83/411375983.db2.gz XMHCXUCHDIHJGV-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC1CCN(CC(=O)N(C)c2ccccc2)CC1 ZINC000042975660 168177378 /nfs/dbraw/zinc/17/73/78/168177378.db2.gz QEVJQQFDNRDVHC-UHFFFAOYSA-N 0 1 246.354 2.381 20 0 BEADMN CC(C)C1(NC(=O)CN2CCC(C)CC2)CC1 ZINC000357231111 168178259 /nfs/dbraw/zinc/17/82/59/168178259.db2.gz ZMNJWVNMFZDSAC-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC1CCN(CC(=O)N[C@@H]2CCC2(C)C)CC1 ZINC000346152926 168179293 /nfs/dbraw/zinc/17/92/93/168179293.db2.gz FJIDLFPFZBAFPG-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(=CC(=O)NCCN1CC=CCC1)CC ZINC000279922560 168194510 /nfs/dbraw/zinc/19/45/10/168194510.db2.gz GFZRLQYQQWRRLD-UHFFFAOYSA-N 0 1 236.359 2.111 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)OC[C@H]1CC ZINC000300064166 168200381 /nfs/dbraw/zinc/20/03/81/168200381.db2.gz LOVJHYCYIQHING-NWDGAFQWSA-N 0 1 227.348 2.245 20 0 BEADMN CCC(=O)CCN(C)Cc1ccc(C)o1 ZINC000190178255 168201280 /nfs/dbraw/zinc/20/12/80/168201280.db2.gz UQGHTADZTVJJFI-UHFFFAOYSA-N 0 1 209.289 2.389 20 0 BEADMN CCC(=O)CCCSc1nnc(CC)[nH]1 ZINC000183864231 168201345 /nfs/dbraw/zinc/20/13/45/168201345.db2.gz GPEKZMYJZFCOPO-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCC(=O)CCCSc1nc(CC)n[nH]1 ZINC000183864231 168201349 /nfs/dbraw/zinc/20/13/49/168201349.db2.gz GPEKZMYJZFCOPO-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358707020 168271962 /nfs/dbraw/zinc/27/19/62/168271962.db2.gz KTBLDLRDNVBMDZ-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CC(=O)NCCN1CC=CCC1 ZINC000357658231 168273057 /nfs/dbraw/zinc/27/30/57/168273057.db2.gz RDOAASVLXZYHJO-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCC(C)(C)CCN1CCN(C(C)C)C(=O)C1 ZINC000356364120 168276580 /nfs/dbraw/zinc/27/65/80/168276580.db2.gz DDJPQLIFIVRIOZ-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(C)(C)CNC(=O)c1[nH]nc(C)c1C ZINC000277277626 168282119 /nfs/dbraw/zinc/28/21/19/168282119.db2.gz HYFDZRXTRXFVRE-UHFFFAOYSA-N 0 1 223.320 2.193 20 0 BEADMN CCC(C)(C)NC(=O)CN1CCC(C)=C(C)C1 ZINC000361621659 168290562 /nfs/dbraw/zinc/29/05/62/168290562.db2.gz WPNZPLZYRPYLHM-UHFFFAOYSA-N 0 1 238.375 2.333 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CC=CC2)C1 ZINC000659788715 411454920 /nfs/dbraw/zinc/45/49/20/411454920.db2.gz MHVGUVOHGMSXCE-CYBMUJFWSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC2CC=CC2)C1 ZINC000659787767 411454974 /nfs/dbraw/zinc/45/49/74/411454974.db2.gz CHXBJLUDTJLNDC-CQSZACIVSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000659794783 411456168 /nfs/dbraw/zinc/45/61/68/411456168.db2.gz UJAQPJDHHKJQLI-IUCAKERBSA-N 0 1 237.290 2.463 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)cs1 ZINC000659799339 411456443 /nfs/dbraw/zinc/45/64/43/411456443.db2.gz ATCIZJHDMYIIJP-UWVGGRQHSA-N 0 1 237.324 2.288 20 0 BEADMN CC(C)C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659798422 411456574 /nfs/dbraw/zinc/45/65/74/411456574.db2.gz CWLACLKWRJWTND-AAEUAGOBSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659798321 411457309 /nfs/dbraw/zinc/45/73/09/411457309.db2.gz BCXALHSLAQORDT-GVXVVHGQSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000659800001 411457721 /nfs/dbraw/zinc/45/77/21/411457721.db2.gz MBVMNABOAYWHQX-BXKDBHETSA-N 0 1 249.285 2.366 20 0 BEADMN Cc1ncc(CNCc2cccc(F)c2)n1C ZINC000657300452 411457931 /nfs/dbraw/zinc/45/79/31/411457931.db2.gz FSAZDUDKZAGBQR-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801781 411458408 /nfs/dbraw/zinc/45/84/08/411458408.db2.gz KGNKOIARMGHTRB-LPEHRKFASA-N 0 1 249.301 2.463 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802693 411458773 /nfs/dbraw/zinc/45/87/73/411458773.db2.gz SZAKRFJHYAARSQ-CHWSQXEVSA-N 0 1 237.343 2.362 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000659805863 411458968 /nfs/dbraw/zinc/45/89/68/411458968.db2.gz ZUJOIJPNXHLEPG-LLVKDONJSA-N 0 1 243.372 2.235 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@H]1CCc2ccccc21 ZINC000659804262 411459028 /nfs/dbraw/zinc/45/90/28/411459028.db2.gz VACQWJURVPASLW-GFCCVEGCSA-N 0 1 233.311 2.123 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000659805864 411459061 /nfs/dbraw/zinc/45/90/61/411459061.db2.gz ZUJOIJPNXHLEPG-NSHDSACASA-N 0 1 243.372 2.235 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000659803469 411459265 /nfs/dbraw/zinc/45/92/65/411459265.db2.gz IGDAPLHQBWQMCH-JQWIXIFHSA-N 0 1 233.311 2.121 20 0 BEADMN c1cc(CNCc2cnc3n2CCC3)cs1 ZINC000657310374 411459636 /nfs/dbraw/zinc/45/96/36/411459636.db2.gz LPHCGCQAYDCXQG-UHFFFAOYSA-N 0 1 233.340 2.181 20 0 BEADMN CO[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287078885 411460204 /nfs/dbraw/zinc/46/02/04/411460204.db2.gz VVKWSWKTRTYPDD-YFKPBYRVSA-N 0 1 247.653 2.158 20 0 BEADMN Cc1nc(CN[C@@H](C)c2ccsc2)n[nH]1 ZINC000129845469 411403178 /nfs/dbraw/zinc/40/31/78/411403178.db2.gz IIZDKCHWUFXZJV-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000653050117 411405313 /nfs/dbraw/zinc/40/53/13/411405313.db2.gz BLEFYJVOIMQLNX-PHIMTYICSA-N 0 1 226.364 2.022 20 0 BEADMN CCn1ccnc1NCc1cc2n(n1)CCCC2 ZINC000653500428 411414171 /nfs/dbraw/zinc/41/41/71/411414171.db2.gz SQXHHTBZUYPEOR-UHFFFAOYSA-N 0 1 245.330 2.048 20 0 BEADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCc2ccccc21 ZINC000405017663 411414701 /nfs/dbraw/zinc/41/47/01/411414701.db2.gz LOTWIPQCVCMAAO-NSHDSACASA-N 0 1 233.311 2.123 20 0 BEADMN Fc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000657208964 411418897 /nfs/dbraw/zinc/41/88/97/411418897.db2.gz JXSYXRNZQKSUGG-OCCSQVGLSA-N 0 1 235.302 2.437 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H]3COC[C@@H]32)cn1 ZINC000657208782 411418964 /nfs/dbraw/zinc/41/89/64/411418964.db2.gz AQUURVTUOIHMCZ-KGLIPLIRSA-N 0 1 249.358 2.075 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657224352 411419632 /nfs/dbraw/zinc/41/96/32/411419632.db2.gz ZVXKLADPIRELSB-OCCSQVGLSA-N 0 1 249.358 2.075 20 0 BEADMN c1ncc(CSc2nc(C3CC3)n[nH]2)s1 ZINC000657243545 411424605 /nfs/dbraw/zinc/42/46/05/411424605.db2.gz XUEDGCPETSJRIP-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN c1ncc(CSc2n[nH]c(C3CC3)n2)s1 ZINC000657243545 411424607 /nfs/dbraw/zinc/42/46/07/411424607.db2.gz XUEDGCPETSJRIP-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN CCc1cc(C(=O)N2[C@H](C)CC[C@H]2CC)n[nH]1 ZINC000271400269 411429249 /nfs/dbraw/zinc/42/92/49/411429249.db2.gz IRMCDWDHPBHGBU-MWLCHTKSSA-N 0 1 235.331 2.375 20 0 BEADMN Cc1ccnc(NC[C@@H]2COC3(CCCC3)O2)c1 ZINC000271385856 411429638 /nfs/dbraw/zinc/42/96/38/411429638.db2.gz PTXKESFGINVVAX-GFCCVEGCSA-N 0 1 248.326 2.488 20 0 BEADMN FC1(F)CC[C@@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000306013408 411430818 /nfs/dbraw/zinc/43/08/18/411430818.db2.gz PDICJHGKACVVJE-HTQZYQBOSA-N 0 1 243.257 2.397 20 0 BEADMN c1n[nH]nc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000657252288 411434966 /nfs/dbraw/zinc/43/49/66/411434966.db2.gz XGQYTSRCEFSZFY-HLTSFMKQSA-N 0 1 209.318 2.333 20 0 BEADMN CCc1cccc(N(C)C(=O)[C@H](C)N(C)C)c1 ZINC000654739941 411437510 /nfs/dbraw/zinc/43/75/10/411437510.db2.gz XMKPMLHEDZTENQ-NSHDSACASA-N 0 1 234.343 2.162 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC(C)C1 ZINC000654757539 411439560 /nfs/dbraw/zinc/43/95/60/411439560.db2.gz UQWBOYCRRLSARE-QWHCGFSZSA-N 0 1 246.354 2.204 20 0 BEADMN Cc1cnc(SCc2c[nH]nn2)c(C)c1 ZINC000657280539 411441147 /nfs/dbraw/zinc/44/11/47/411441147.db2.gz NWHYABUACZVBQO-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC[C@H](CC(=O)N1CCN[C@H](C)C1)C(C)(C)C ZINC000637842603 411444368 /nfs/dbraw/zinc/44/43/68/411444368.db2.gz UXEWOAOSRHVVMC-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN Fc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000657286184 411445705 /nfs/dbraw/zinc/44/57/05/411445705.db2.gz UBNVNZJKLOPRLS-UHFFFAOYSA-N 0 1 245.301 2.258 20 0 BEADMN C[C@@H](NCCC(C)(C)C1CC1)c1ncn(C)n1 ZINC000406083025 411451641 /nfs/dbraw/zinc/45/16/41/411451641.db2.gz YFLZQPUNIWITPG-SNVBAGLBSA-N 0 1 236.363 2.292 20 0 BEADMN C[C@H](NCCC(C)(C)C1CC1)c1ncn(C)n1 ZINC000406083024 411451721 /nfs/dbraw/zinc/45/17/21/411451721.db2.gz YFLZQPUNIWITPG-JTQLQIEISA-N 0 1 236.363 2.292 20 0 BEADMN CCc1[nH]n(-c2cccc(OC)c2)c(=O)c1C ZINC000123513847 411451822 /nfs/dbraw/zinc/45/18/22/411451822.db2.gz HKBXDARUFDXKSZ-VIFPVBQESA-N 0 1 232.283 2.444 20 0 BEADMN CC(C)=CCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000659785130 411453901 /nfs/dbraw/zinc/45/39/01/411453901.db2.gz HFQFVZSOYWTLIV-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN COc1cc(Cl)ccc1CN(C)CCCO ZINC000281830492 411454151 /nfs/dbraw/zinc/45/41/51/411454151.db2.gz MGEZPGDMNQTTOH-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC)CC(=O)[O-] ZINC000659788411 411454691 /nfs/dbraw/zinc/45/46/91/411454691.db2.gz NEYKKLFMAQDAIY-QMMMGPOBSA-N 0 1 223.263 2.074 20 0 BEADMN COc1cc(CN(CC(C)C)C2CC2)on1 ZINC000659837639 411470704 /nfs/dbraw/zinc/47/07/04/411470704.db2.gz KEYILNXZODZJMA-UHFFFAOYSA-N 0 1 224.304 2.304 20 0 BEADMN Fc1ccc(CN[C@@H]2CCCOC2)c(F)c1F ZINC000657352907 411474314 /nfs/dbraw/zinc/47/43/14/411474314.db2.gz NCCIMSAQJDYFFF-SECBINFHSA-N 0 1 245.244 2.373 20 0 BEADMN CCC1CCN(Cc2cc(OC)no2)CC1 ZINC000659848592 411475454 /nfs/dbraw/zinc/47/54/54/411475454.db2.gz KOVICBNIJLCHAK-UHFFFAOYSA-N 0 1 224.304 2.305 20 0 BEADMN CN(Cc1ccoc1)[C@@H]1COC(C)(C)C1 ZINC000659852156 411477609 /nfs/dbraw/zinc/47/76/09/411477609.db2.gz LYPKXCKDLGWXPL-NSHDSACASA-N 0 1 209.289 2.279 20 0 BEADMN CCC1(C)CCN(Cc2cn(C)cn2)CC1 ZINC000659866276 411483123 /nfs/dbraw/zinc/48/31/23/411483123.db2.gz HCGFMFLNOJRDGM-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN COc1cc(CN2CCC(C)(C)CC2)on1 ZINC000659870952 411483183 /nfs/dbraw/zinc/48/31/83/411483183.db2.gz JVCJOACIJGEJDA-UHFFFAOYSA-N 0 1 224.304 2.305 20 0 BEADMN CCCC(O)(CCC)CNCc1nc(C)c[nH]1 ZINC000657370822 411484300 /nfs/dbraw/zinc/48/43/00/411484300.db2.gz KRGQHPUFBGSUPT-UHFFFAOYSA-N 0 1 239.363 2.139 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@H](CC)C2)s1 ZINC000657377910 411487163 /nfs/dbraw/zinc/48/71/63/411487163.db2.gz IRKGXISKMJUZKV-VHSXEESVSA-N 0 1 240.372 2.363 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2nc(C)c[nH]2)C1(C)C ZINC000657384373 411489191 /nfs/dbraw/zinc/48/91/91/411489191.db2.gz LSRPVIBELMBFFT-MFKMUULPSA-N 0 1 237.347 2.011 20 0 BEADMN CCc1nc([C@@H](C)N2Cc3ccccc3C2)n[nH]1 ZINC000659904921 411493110 /nfs/dbraw/zinc/49/31/10/411493110.db2.gz RMLSIQQEPJXNFL-SNVBAGLBSA-N 0 1 242.326 2.444 20 0 BEADMN Cc1ncsc1CN(C)[C@@H]1COC(C)(C)C1 ZINC000659912203 411496479 /nfs/dbraw/zinc/49/64/79/411496479.db2.gz LTSKHRBWOBPNLO-JTQLQIEISA-N 0 1 240.372 2.451 20 0 BEADMN COC[C@@H]1CCCN(Cc2nc(C)oc2C)C1 ZINC000659926356 411500341 /nfs/dbraw/zinc/50/03/41/411500341.db2.gz VNVWGBJDHUKPQP-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CN(CCCCCO)Cc1cc(C2CC2)no1 ZINC000660438219 411503475 /nfs/dbraw/zinc/50/34/75/411503475.db2.gz STUDHDXTCHZHCS-UHFFFAOYSA-N 0 1 238.331 2.146 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2COC(C)(C)C2)n1 ZINC000660080549 411534521 /nfs/dbraw/zinc/53/45/21/411534521.db2.gz MBDMZNNGRHWLRA-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(C2CCC2)CC1 ZINC000655165950 411508848 /nfs/dbraw/zinc/50/88/48/411508848.db2.gz YCTMBWCSKZWORJ-JTQLQIEISA-N 0 1 247.342 2.037 20 0 BEADMN CC(C)=CCNCc1c(C(F)(F)F)cnn1C ZINC000657448499 411510555 /nfs/dbraw/zinc/51/05/55/411510555.db2.gz QTQQILYFIHYLOS-UHFFFAOYSA-N 0 1 247.264 2.495 20 0 BEADMN Cn1ncc(C2CC2)c1CNC1CC(F)(F)C1 ZINC000657448926 411510830 /nfs/dbraw/zinc/51/08/30/411510830.db2.gz OIPSDTZPXKHKNL-UHFFFAOYSA-N 0 1 241.285 2.185 20 0 BEADMN C[C@@H](CF)NCc1c(C2CCC2)cnn1C ZINC000657466788 411519485 /nfs/dbraw/zinc/51/94/85/411519485.db2.gz PFZZEQAPTAEMFX-VIFPVBQESA-N 0 1 225.311 2.135 20 0 BEADMN CCN1CC[C@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000659985652 411520032 /nfs/dbraw/zinc/52/00/32/411520032.db2.gz PJZLVOODEOWRQO-KGLIPLIRSA-N 0 1 244.338 2.054 20 0 BEADMN CCc1noc(C)c1CN[C@H]1CO[C@H](CC)C1 ZINC000657475472 411525250 /nfs/dbraw/zinc/52/52/50/411525250.db2.gz USECMDUDZTZBGE-GHMZBOCLSA-N 0 1 238.331 2.203 20 0 BEADMN CCC[C@@H](CNCc1nccn1C(C)C)OC ZINC000657477527 411525616 /nfs/dbraw/zinc/52/56/16/411525616.db2.gz OVBZHNUARKEDDY-LBPRGKRZSA-N 0 1 239.363 2.369 20 0 BEADMN CCC[C@H](CNCc1nccn1C(C)C)OC ZINC000657477526 411526114 /nfs/dbraw/zinc/52/61/14/411526114.db2.gz OVBZHNUARKEDDY-GFCCVEGCSA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H](C)c2nccn2CC)CO1 ZINC000657483888 411529367 /nfs/dbraw/zinc/52/93/67/411529367.db2.gz VOCWFHXNMKODPX-SDDRHHMPSA-N 0 1 237.347 2.121 20 0 BEADMN CC1(C2(NCc3cc4n(n3)CCC4)CC2)CC1 ZINC000657485682 411530029 /nfs/dbraw/zinc/53/00/29/411530029.db2.gz PRUYTEMXQPCTRZ-UHFFFAOYSA-N 0 1 231.343 2.252 20 0 BEADMN Cc1c[nH]c(CNCCOCC2CCCC2)n1 ZINC000657486513 411530985 /nfs/dbraw/zinc/53/09/85/411530985.db2.gz CVAATVAIHYOIGD-UHFFFAOYSA-N 0 1 237.347 2.015 20 0 BEADMN CC1(C)C[C@H]([NH2+]Cc2ccc3nc[nH]c3c2)CO1 ZINC000657529653 411544526 /nfs/dbraw/zinc/54/45/26/411544526.db2.gz GIONXTULHPBLAM-NSHDSACASA-N 0 1 245.326 2.220 20 0 BEADMN Cc1c[nH]c(CN[C@@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000657504909 411538880 /nfs/dbraw/zinc/53/88/80/411538880.db2.gz LBQZQBWNWOZHLV-JSGCOSHPSA-N 0 1 249.358 2.155 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCC3(CCCC3)O2)n1 ZINC000657506526 411539975 /nfs/dbraw/zinc/53/99/75/411539975.db2.gz LRXGVPOTDUAEED-GFCCVEGCSA-N 0 1 249.358 2.300 20 0 BEADMN CCN1CCN(Cc2cc(C3CC3)no2)C[C@H]1C ZINC000660126701 411541423 /nfs/dbraw/zinc/54/14/23/411541423.db2.gz UBDXBVMJIXMOPQ-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cscn1 ZINC000657524446 411542157 /nfs/dbraw/zinc/54/21/57/411542157.db2.gz LJSOQGXESQWVDR-LLVKDONJSA-N 0 1 239.388 2.106 20 0 BEADMN Cc1cc(CN2CCCSCC2)nc(C)n1 ZINC000660140465 411544246 /nfs/dbraw/zinc/54/42/46/411544246.db2.gz MAJYTTMLNITJPK-UHFFFAOYSA-N 0 1 237.372 2.032 20 0 BEADMN CCNC(=O)[C@@H](C)NCc1ccc(Cl)s1 ZINC000035142168 170088081 /nfs/dbraw/zinc/08/80/81/170088081.db2.gz ZGRMBHMNCKGLNU-SSDOTTSWSA-N 0 1 246.763 2.016 20 0 BEADMN CCNC(=O)[C@@H](C)NCc1cc2ccccc2o1 ZINC000035136301 170088496 /nfs/dbraw/zinc/08/84/96/170088496.db2.gz VSLFMWPITZLQOW-SNVBAGLBSA-N 0 1 246.310 2.047 20 0 BEADMN CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000334483668 170099781 /nfs/dbraw/zinc/09/97/81/170099781.db2.gz YPOPEYZHRGTNLP-UHFFFAOYSA-N 0 1 234.082 2.449 20 0 BEADMN C[C@H](NCc1noc2ccccc21)[C@H]1CCCO1 ZINC000655854766 411538049 /nfs/dbraw/zinc/53/80/49/411538049.db2.gz XPCUHIMESRWYGC-GXFFZTMASA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)cn2)CC12CCC2 ZINC000660167499 411550718 /nfs/dbraw/zinc/55/07/18/411550718.db2.gz GRASVTYYBHDZDX-LBPRGKRZSA-N 0 1 233.359 2.432 20 0 BEADMN OC[C@@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000657559499 411550980 /nfs/dbraw/zinc/55/09/80/411550980.db2.gz ZMUPTLRDGCTLNI-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CCNCc1ncc(C(F)(F)F)s1 ZINC000278784748 170131554 /nfs/dbraw/zinc/13/15/54/170131554.db2.gz ZMJUCNNVLCIXLJ-UHFFFAOYSA-N 0 1 210.224 2.271 20 0 BEADMN FC1(CNCc2cccnc2N2CCCC2)CC1 ZINC000657572548 411555405 /nfs/dbraw/zinc/55/54/05/411555405.db2.gz ZZOXZVYXFADRDF-UHFFFAOYSA-N 0 1 249.333 2.274 20 0 BEADMN C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1F ZINC000660221671 411556251 /nfs/dbraw/zinc/55/62/51/411556251.db2.gz QILBEPWDUOSXAE-GWCFXTLKSA-N 0 1 222.307 2.449 20 0 BEADMN CCN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000109504011 170160105 /nfs/dbraw/zinc/16/01/05/170160105.db2.gz KGKRJYKOERCICR-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN CCOC(=O)C(C)(C)N(C)C[C@H]1CCSC1 ZINC000354757924 170186260 /nfs/dbraw/zinc/18/62/60/170186260.db2.gz QFNRJMZQJXDIQI-SNVBAGLBSA-N 0 1 245.388 2.013 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCCCF ZINC000339791514 170186308 /nfs/dbraw/zinc/18/63/08/170186308.db2.gz XUBYRYIDWRVFFI-UHFFFAOYSA-N 0 1 219.300 2.010 20 0 BEADMN CCOC(=O)CCCN(C)Cc1ccoc1C ZINC000171034243 170201192 /nfs/dbraw/zinc/20/11/92/170201192.db2.gz VHGSKLZIDHHACF-UHFFFAOYSA-N 0 1 239.315 2.363 20 0 BEADMN CCOC(=O)CN(C)C[C@H](C)CC(C)C ZINC000308741759 170215020 /nfs/dbraw/zinc/21/50/20/170215020.db2.gz HPWUKHZBTNWDEJ-LLVKDONJSA-N 0 1 215.337 2.164 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCCC[C@H]1CC ZINC000104383795 170215789 /nfs/dbraw/zinc/21/57/89/170215789.db2.gz AZYMREFGCFHQGJ-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCCC[C@H]1CC ZINC000104383787 170215806 /nfs/dbraw/zinc/21/58/06/170215806.db2.gz AZYMREFGCFHQGJ-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(CCCCCF)C(C)C ZINC000336666814 170217087 /nfs/dbraw/zinc/21/70/87/170217087.db2.gz MFIYHZWWUKPXKY-UHFFFAOYSA-N 0 1 233.327 2.400 20 0 BEADMN CCOC(=O)CN1CCCC[C@H]1CC(C)C ZINC000341906991 170218456 /nfs/dbraw/zinc/21/84/56/170218456.db2.gz VYYPUHKMMZXOLU-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN1CCCC2(CCCC2)C1 ZINC000342152181 170219177 /nfs/dbraw/zinc/21/91/77/170219177.db2.gz BNYVFJSUWBQWDN-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN Cc1cnc(CN[C@@H]2COC3(CCC3)C2)s1 ZINC000657630704 411567271 /nfs/dbraw/zinc/56/72/71/411567271.db2.gz MMFSDXRWGYLBRE-JTQLQIEISA-N 0 1 238.356 2.253 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000353592142 170247295 /nfs/dbraw/zinc/24/72/95/170247295.db2.gz POHHKUBUWNVDHL-VXGBXAGGSA-N 0 1 225.332 2.226 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(CC)CC1 ZINC000043638701 170247656 /nfs/dbraw/zinc/24/76/56/170247656.db2.gz PMDBSPJLQILJAH-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN OC/C=C/CNCc1ccc(Cl)cc1F ZINC000657593606 411559216 /nfs/dbraw/zinc/55/92/16/411559216.db2.gz IWXGCATUVURZHW-OWOJBTEDSA-N 0 1 229.682 2.117 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@H]2C2CC2)co1 ZINC000660251779 411560318 /nfs/dbraw/zinc/56/03/18/411560318.db2.gz IGHJSNDBZBODCO-QWHCGFSZSA-N 0 1 236.315 2.030 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359563015 170266433 /nfs/dbraw/zinc/26/64/33/170266433.db2.gz SBJUEYRJJWMQLW-SGMGOOAPSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357030926 170267000 /nfs/dbraw/zinc/26/70/00/170267000.db2.gz YHIUNSNITVKIGN-RYUDHWBXSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@@H](NCc1nc(C)oc1C)[C@@H]1CCCO1 ZINC000660260935 411561325 /nfs/dbraw/zinc/56/13/25/411561325.db2.gz XDOYCPAAWBWKCJ-YPMHNXCESA-N 0 1 238.331 2.339 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCCC(C)(C)C1 ZINC000082761136 170271701 /nfs/dbraw/zinc/27/17/01/170271701.db2.gz JAIRYGKXBSOAJO-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CCCCCF ZINC000341910400 170281493 /nfs/dbraw/zinc/28/14/93/170281493.db2.gz NQABABXQVSZILS-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@H]2CC)o1 ZINC000292461776 170295312 /nfs/dbraw/zinc/29/53/12/170295312.db2.gz QKSZTWGTXGGNCD-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN CCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000034146986 170295382 /nfs/dbraw/zinc/29/53/82/170295382.db2.gz QMLLLUWFRFRLJE-UHFFFAOYSA-N 0 1 237.299 2.442 20 0 BEADMN CCOC(=O)c1coc(CN(C)C2CC2)c1 ZINC000353445986 170304957 /nfs/dbraw/zinc/30/49/57/170304957.db2.gz FCSJCJAZAMDCMJ-UHFFFAOYSA-N 0 1 223.272 2.051 20 0 BEADMN Cc1nc(CN([C@H](C)CO)C2CCCC2)co1 ZINC000660366544 411572853 /nfs/dbraw/zinc/57/28/53/411572853.db2.gz VMMGBVDIWYNARF-SNVBAGLBSA-N 0 1 238.331 2.108 20 0 BEADMN CCOC1(C)CCN(Cc2ccno2)CC1 ZINC000298247446 170319051 /nfs/dbraw/zinc/31/90/51/170319051.db2.gz JZDYLOBBUGNJPC-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN COc1nccnc1CNCCCC1CCC1 ZINC000657667385 411573391 /nfs/dbraw/zinc/57/33/91/411573391.db2.gz QETIPLCMPVVMOP-UHFFFAOYSA-N 0 1 235.331 2.155 20 0 BEADMN CCOCC(C)(C)NCc1nccn1C(F)F ZINC000293245739 170355598 /nfs/dbraw/zinc/35/55/98/170355598.db2.gz LOXJJDXSSQJOTK-UHFFFAOYSA-N 0 1 247.289 2.183 20 0 BEADMN CCOCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271239338 170362741 /nfs/dbraw/zinc/36/27/41/170362741.db2.gz DKLIYWGLDOVUFZ-UHFFFAOYSA-N 0 1 247.245 2.021 20 0 BEADMN CCOCCCN1CCn2cccc2[C@H]1C ZINC000336682513 170374461 /nfs/dbraw/zinc/37/44/61/170374461.db2.gz RXEBMNAETBTOGX-GFCCVEGCSA-N 0 1 222.332 2.291 20 0 BEADMN CCOCCCc1nc([C@H](N)CC(C)C)no1 ZINC000339386990 170385537 /nfs/dbraw/zinc/38/55/37/170385537.db2.gz ZKXVLFFZWUPDFM-SNVBAGLBSA-N 0 1 241.335 2.085 20 0 BEADMN CCOCCN(C)[C@@H](C)c1ccccn1 ZINC000119779773 170392181 /nfs/dbraw/zinc/39/21/81/170392181.db2.gz GCDBEAGVMQRYBB-NSHDSACASA-N 0 1 208.305 2.111 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@H](C(=O)[O-])c1ccsc1 ZINC000663316493 411623238 /nfs/dbraw/zinc/62/32/38/411623238.db2.gz YFOKUPIVXAYWKP-BSTRBVHOSA-N 0 1 237.324 2.358 20 0 BEADMN C[N@@H+](C[C@H]1CC1(C)C)CC1(CC(=O)[O-])CC1 ZINC000663316612 411623339 /nfs/dbraw/zinc/62/33/39/411623339.db2.gz GMKYASYTOPGKNU-SNVBAGLBSA-N 0 1 225.332 2.219 20 0 BEADMN CCOCCN(CC)Cc1occc1C ZINC000092537884 170396434 /nfs/dbraw/zinc/39/64/34/170396434.db2.gz OZDQIZNPVKLZFB-UHFFFAOYSA-N 0 1 211.305 2.446 20 0 BEADMN FCCOCCNCc1ccc(F)cc1F ZINC000663342525 411631960 /nfs/dbraw/zinc/63/19/60/411631960.db2.gz ZLIJNUAANTWDDL-UHFFFAOYSA-N 0 1 233.233 2.041 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1coc(C)n1)C1CC1 ZINC000660803269 411637153 /nfs/dbraw/zinc/63/71/53/411637153.db2.gz KIYSEJKHVREZBX-ZANVPECISA-N 0 1 238.331 2.276 20 0 BEADMN C[C@H](NCC1CC=CC1)c1csnn1 ZINC000660810073 411642559 /nfs/dbraw/zinc/64/25/59/411642559.db2.gz ZBOQDDORXMVVLV-QMMMGPOBSA-N 0 1 209.318 2.155 20 0 BEADMN Cc1nc(CNC[C@]2(C)CC2(F)F)[nH]c1C ZINC000657664869 411577035 /nfs/dbraw/zinc/57/70/35/411577035.db2.gz KOTNRNIFDQADPE-JTQLQIEISA-N 0 1 229.274 2.161 20 0 BEADMN Cc1nc(CNC[C@H]2CCC[C@@H](C)O2)cs1 ZINC000657665041 411577374 /nfs/dbraw/zinc/57/73/74/411577374.db2.gz NNEVNZOTGUEQCE-BXKDBHETSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCc2ccc(O)cc21 ZINC000657694627 411581140 /nfs/dbraw/zinc/58/11/40/411581140.db2.gz ULFIUBZAMBRPHO-CQSZACIVSA-N 0 1 243.310 2.201 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000660446981 411586410 /nfs/dbraw/zinc/58/64/10/411586410.db2.gz VXNAMSQGXKHCBS-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN COc1cc(CN2CC(C)=C[C@@H](C)C2)on1 ZINC000660459406 411587948 /nfs/dbraw/zinc/58/79/48/411587948.db2.gz LUPGZHAOOHMIAY-SECBINFHSA-N 0 1 222.288 2.081 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)oc2C)[C@@H](C)C1 ZINC000660480594 411591163 /nfs/dbraw/zinc/59/11/63/411591163.db2.gz WACWRDFHDFYBEJ-CABZTGNLSA-N 0 1 238.331 2.291 20 0 BEADMN Cn1ncc(Cl)c1CNCC1=CCCC1 ZINC000657749888 411592412 /nfs/dbraw/zinc/59/24/12/411592412.db2.gz RXRMYSVLBVTDIH-UHFFFAOYSA-N 0 1 225.723 2.273 20 0 BEADMN CO[C@H](CN1CCOCC12CC2)C1CCCC1 ZINC000660488996 411593221 /nfs/dbraw/zinc/59/32/21/411593221.db2.gz KBRFJTBAVVPAET-CYBMUJFWSA-N 0 1 239.359 2.056 20 0 BEADMN CO[C@H](CNCc1cscn1)C1CCCC1 ZINC000657767769 411593988 /nfs/dbraw/zinc/59/39/88/411593988.db2.gz RGVDSNAVOXFIAO-GFCCVEGCSA-N 0 1 240.372 2.438 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cc(C3CC3)no2)C1 ZINC000660532491 411596335 /nfs/dbraw/zinc/59/63/35/411596335.db2.gz IMJDHOSUAWOGPH-PHIMTYICSA-N 0 1 236.315 2.161 20 0 BEADMN CCC[C@@]1(NCc2nc(C)oc2C)CCOC1 ZINC000660541334 411597131 /nfs/dbraw/zinc/59/71/31/411597131.db2.gz WCILZIVRYXHERT-CYBMUJFWSA-N 0 1 238.331 2.340 20 0 BEADMN COc1ccc(CN[C@@H]2C[C@]2(C)OC)c(F)c1 ZINC000657790773 411597347 /nfs/dbraw/zinc/59/73/47/411597347.db2.gz VCWQDWQUZCJKNW-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN FC(F)C[C@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660546778 411597743 /nfs/dbraw/zinc/59/77/43/411597743.db2.gz WFZLZKZOCBFHER-USZNOCQGSA-N 0 1 245.313 2.389 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc2ccccc2n1 ZINC000660550580 411598587 /nfs/dbraw/zinc/59/85/87/411598587.db2.gz GDCURLNYQOFEOP-NSHDSACASA-N 0 1 245.326 2.097 20 0 BEADMN C[C@@H]1CN(C)C[C@@H]1NCC(F)(F)C(C)(C)C ZINC000657794669 411599599 /nfs/dbraw/zinc/59/95/99/411599599.db2.gz ZQFMMPALLGOBAT-ZJUUUORDSA-N 0 1 234.334 2.208 20 0 BEADMN COc1cc(CN2CCC[C@@H](C3CC3)C2)on1 ZINC000660561570 411599987 /nfs/dbraw/zinc/59/99/87/411599987.db2.gz UNQYKGZNJSSQEF-LLVKDONJSA-N 0 1 236.315 2.305 20 0 BEADMN COc1cccc(CNCc2cn[nH]c2)c1C ZINC000657805007 411600071 /nfs/dbraw/zinc/60/00/71/411600071.db2.gz QLCKYANNQPEGOF-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN C[C@@H](N[C@H]1CCCn2nccc21)c1cccnc1 ZINC000657825111 411607938 /nfs/dbraw/zinc/60/79/38/411607938.db2.gz MBGLHCDDKHEJPA-YPMHNXCESA-N 0 1 242.326 2.464 20 0 BEADMN CCOCC(C)(C)NCc1conc1CC ZINC000660638968 411610576 /nfs/dbraw/zinc/61/05/76/411610576.db2.gz KAZILBYVPUBLGE-UHFFFAOYSA-N 0 1 226.320 2.142 20 0 BEADMN C[C@@H]1CN(Cc2cnc3ccccc3n2)[C@H]1C ZINC000660640253 411611198 /nfs/dbraw/zinc/61/11/98/411611198.db2.gz OJSRNUNDPVVRPP-MNOVXSKESA-N 0 1 227.311 2.470 20 0 BEADMN CC(C)N(CCOCc1ccccc1)C1COC1 ZINC000660648039 411612525 /nfs/dbraw/zinc/61/25/25/411612525.db2.gz QCRPQERUKHOBCR-UHFFFAOYSA-N 0 1 249.354 2.312 20 0 BEADMN CN(Cc1ccccn1)[C@H]1COC(C)(C)C1 ZINC000660680743 411617173 /nfs/dbraw/zinc/61/71/73/411617173.db2.gz WSTDHBYAECWKJZ-GFCCVEGCSA-N 0 1 220.316 2.081 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1ccc(C(=O)[O-])s1 ZINC000663315312 411622299 /nfs/dbraw/zinc/62/22/99/411622299.db2.gz GLZBGNUAZCJYLA-UHFFFAOYSA-N 0 1 237.324 2.431 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC2CC1(C)C2 ZINC000663315590 411622727 /nfs/dbraw/zinc/62/27/27/411622727.db2.gz KGOUPRQVCZADFK-UHFFFAOYSA-N 0 1 235.283 2.271 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])o1)C[C@@H]1CC1(C)C ZINC000663316238 411622845 /nfs/dbraw/zinc/62/28/45/411622845.db2.gz CNWNCHOOIMGNLE-VIFPVBQESA-N 0 1 237.299 2.456 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@H]1CCC2(CCCC2)O1 ZINC000661089997 411703358 /nfs/dbraw/zinc/70/33/58/411703358.db2.gz KQBHYGSXFISOQK-ZDUSSCGKSA-N 0 1 249.358 2.333 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)[C@@H](C)CC)n1 ZINC000661103889 411709035 /nfs/dbraw/zinc/70/90/35/411709035.db2.gz DMXSWOZCKFXFFI-JTQLQIEISA-N 0 1 237.347 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)[C@@H](C)CC)n1 ZINC000661103889 411709039 /nfs/dbraw/zinc/70/90/39/411709039.db2.gz DMXSWOZCKFXFFI-JTQLQIEISA-N 0 1 237.347 2.365 20 0 BEADMN CC[C@@H](C)N(CC)Cc1nnc2n1CCCC2 ZINC000661105781 411710581 /nfs/dbraw/zinc/71/05/81/411710581.db2.gz ZUEKIIIMTCKJMM-LLVKDONJSA-N 0 1 236.363 2.235 20 0 BEADMN C[N@@H+](CCC(C)(C)C1CC1)Cc1n[n-]c(=O)o1 ZINC000660844583 411656531 /nfs/dbraw/zinc/65/65/31/411656531.db2.gz PXGCDNWPRIFQHP-UHFFFAOYSA-N 0 1 239.319 2.033 20 0 BEADMN CC1CCC(C[N@@H+](C)Cc2n[n-]c(=O)o2)CC1 ZINC000660845233 411657423 /nfs/dbraw/zinc/65/74/23/411657423.db2.gz MDMFPTHIKZWCFF-UHFFFAOYSA-N 0 1 239.319 2.033 20 0 BEADMN CCc1nc([C@@H](C)N2CCCC(F)(F)C2)n[nH]1 ZINC000660914505 411671660 /nfs/dbraw/zinc/67/16/60/411671660.db2.gz ZQBRTTMOKYGVTO-MRVPVSSYSA-N 0 1 244.289 2.159 20 0 BEADMN Cc1nc(CN2CCCCC[C@H]2CO)c(C)o1 ZINC000660923178 411673984 /nfs/dbraw/zinc/67/39/84/411673984.db2.gz LWMAADOYYKFDMW-LBPRGKRZSA-N 0 1 238.331 2.028 20 0 BEADMN O=C1CN(CC2CC=CC2)Cc2ccccc2N1 ZINC000660925619 411677758 /nfs/dbraw/zinc/67/77/58/411677758.db2.gz CQDVNYDQADAZSK-UHFFFAOYSA-N 0 1 242.322 2.407 20 0 BEADMN COc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000071396673 411678146 /nfs/dbraw/zinc/67/81/46/411678146.db2.gz FFXJVUPUFYOCJW-LLVKDONJSA-N 0 1 245.282 2.170 20 0 BEADMN Cc1nc(C)c(CN(C)Cc2cnc[nH]2)s1 ZINC000661085701 411696000 /nfs/dbraw/zinc/69/60/00/411696000.db2.gz PTXUADFIMLFMEY-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN CCOc1ccc2c(c1)CCN(CCOC)C2 ZINC000360131243 170567057 /nfs/dbraw/zinc/56/70/57/170567057.db2.gz KTPFYRQIBITROI-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN Cc1ccc(CN(C)Cc2cnc[nH]2)c(C)n1 ZINC000661088192 411698485 /nfs/dbraw/zinc/69/84/85/411698485.db2.gz GIBIRCYZZRIJRD-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc(F)ccc1F ZINC000661086816 411700677 /nfs/dbraw/zinc/70/06/77/411700677.db2.gz IREDFMJUQDZSGR-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN CC(C)(C)OCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000133275080 411701012 /nfs/dbraw/zinc/70/10/12/411701012.db2.gz JLJYECGEZBKHBL-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN OCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446504 411779613 /nfs/dbraw/zinc/77/96/13/411779613.db2.gz PEJMOJRICMTWRE-LBPRGKRZSA-N 0 1 221.300 2.189 20 0 BEADMN CC(C)OCCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661467862 411782447 /nfs/dbraw/zinc/78/24/47/411782447.db2.gz SXIRTTUHMYSPOK-CYBMUJFWSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)C ZINC000298206889 170662412 /nfs/dbraw/zinc/66/24/12/170662412.db2.gz IQFFJJVETBRNBB-YPMHNXCESA-N 0 1 246.354 2.304 20 0 BEADMN Cn1cc(CN2CCC(c3ccco3)CC2)cn1 ZINC000661162337 411724503 /nfs/dbraw/zinc/72/45/03/411724503.db2.gz QGIQSAMXAFWIRC-UHFFFAOYSA-N 0 1 245.326 2.393 20 0 BEADMN CCCC[C@H](CC)CN(C)Cc1cn(C)nn1 ZINC000661746492 411864587 /nfs/dbraw/zinc/86/45/87/411864587.db2.gz YXCDNTHRUFZFNX-LBPRGKRZSA-N 0 1 238.379 2.463 20 0 BEADMN CC/C=C/CCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545476 411799731 /nfs/dbraw/zinc/79/97/31/411799731.db2.gz ZJYMXLPCGQONMN-IEVRTODYSA-N 0 1 209.333 2.500 20 0 BEADMN Cc1ccc(CN(C)CC2=CCCOC2)c(C)n1 ZINC000661654839 411830328 /nfs/dbraw/zinc/83/03/28/411830328.db2.gz NPUSSMDMXXFWGL-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](CCF)C2)ncn1 ZINC000661690242 411839145 /nfs/dbraw/zinc/83/91/45/411839145.db2.gz OUUJCEHZHAAHDV-GFCCVEGCSA-N 0 1 237.322 2.357 20 0 BEADMN Cc1nc([C@H](C)N2CCC[C@@H](CCF)C2)n[nH]1 ZINC000661690435 411840906 /nfs/dbraw/zinc/84/09/06/411840906.db2.gz QIUURMVNJCAIJW-ONGXEEELSA-N 0 1 240.326 2.246 20 0 BEADMN Cc1cc(N(C)Cc2cnc[nH]2)nc(C2CC2)n1 ZINC000664127318 411862283 /nfs/dbraw/zinc/86/22/83/411862283.db2.gz NXXZUUBDCNBOTR-UHFFFAOYSA-N 0 1 243.314 2.022 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284010054 170771738 /nfs/dbraw/zinc/77/17/38/170771738.db2.gz QSGOXOHHOKESCX-GHMZBOCLSA-N 0 1 245.326 2.499 20 0 BEADMN Cc1nccc(N[C@H](C)C2(CO)CC2)c1Cl ZINC000664270960 411907434 /nfs/dbraw/zinc/90/74/34/411907434.db2.gz GQJSEQDHIWTYBM-SECBINFHSA-N 0 1 240.734 2.038 20 0 BEADMN Cc1csc(CN2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661968438 411925162 /nfs/dbraw/zinc/92/51/62/411925162.db2.gz XZBIIOVERMGSDB-NXEZZACHSA-N 0 1 208.330 2.293 20 0 BEADMN Cc1ccc(NC(=O)CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661977156 411932182 /nfs/dbraw/zinc/93/21/82/411932182.db2.gz WHNHSPYDPRGUQC-CHWSQXEVSA-N 0 1 244.338 2.275 20 0 BEADMN Cc1nnc(CN[C@H](C)C2CCC(F)CC2)o1 ZINC000661998319 411937235 /nfs/dbraw/zinc/93/72/35/411937235.db2.gz JOQZODOEBRKSCJ-MFAVDMRSSA-N 0 1 241.310 2.384 20 0 BEADMN CC(C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997031 411937260 /nfs/dbraw/zinc/93/72/60/411937260.db2.gz ISPJPLVTCJRBOV-UHFFFAOYSA-N 0 1 209.333 2.286 20 0 BEADMN C(C1CC1)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996701 411938387 /nfs/dbraw/zinc/93/83/87/411938387.db2.gz FTOZICXALAVTOH-UHFFFAOYSA-N 0 1 221.344 2.287 20 0 BEADMN CCOc1nnc(CN[C@H](CC)C2CC2)s1 ZINC000661759005 411870443 /nfs/dbraw/zinc/87/04/43/411870443.db2.gz RRWIRBNTPTWIHM-SECBINFHSA-N 0 1 241.360 2.215 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000661771193 411880647 /nfs/dbraw/zinc/88/06/47/411880647.db2.gz IWCPVMOBGBUWCE-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN CC[C@H](C)N(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000664175727 411881914 /nfs/dbraw/zinc/88/19/14/411881914.db2.gz BONCDOOJRJLFGN-JTQLQIEISA-N 0 1 238.335 2.048 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CC12CCC2 ZINC000680600052 487621185 /nfs/dbraw/zinc/62/11/85/487621185.db2.gz ZRSQFONXKNXPQS-VIFPVBQESA-N 0 1 246.314 2.201 20 0 BEADMN Cc1cnc(CNC2(CC(C)C)CC2)nc1 ZINC000662070674 411971957 /nfs/dbraw/zinc/97/19/57/411971957.db2.gz FREPTOFYOHNYKA-UHFFFAOYSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(C)[nH]1 ZINC000662160857 412013818 /nfs/dbraw/zinc/01/38/18/412013818.db2.gz NNAIOFINLSTHRE-GXSJLCMTSA-N 0 1 222.336 2.266 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CC12CCC2 ZINC000680600052 487621182 /nfs/dbraw/zinc/62/11/82/487621182.db2.gz ZRSQFONXKNXPQS-VIFPVBQESA-N 0 1 246.314 2.201 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C(=O)[O-] ZINC000662211725 412025933 /nfs/dbraw/zinc/02/59/33/412025933.db2.gz JHGQGZUTTVBBDG-UJPOAAIJSA-N 0 1 237.343 2.075 20 0 BEADMN CC1(C)CN(CCCCO)[C@@H]1c1cccnc1 ZINC000664826166 412027775 /nfs/dbraw/zinc/02/77/75/412027775.db2.gz OZHMNEGFDQMRQX-CYBMUJFWSA-N 0 1 234.343 2.237 20 0 BEADMN CC[N@@H+](Cc1cccc(F)c1F)[C@@H](C)C(=O)[O-] ZINC000662218185 412028731 /nfs/dbraw/zinc/02/87/31/412028731.db2.gz WLOYNAFIFREFEY-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN CC1(C)CN(Cc2cnc[nH]2)[C@H]1c1ccncc1 ZINC000664833804 412028808 /nfs/dbraw/zinc/02/88/08/412028808.db2.gz RNNYMABMDCJCHQ-ZDUSSCGKSA-N 0 1 242.326 2.388 20 0 BEADMN CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)C(=O)[O-] ZINC000662217533 412029805 /nfs/dbraw/zinc/02/98/05/412029805.db2.gz VPQRQQQNDDJYSS-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN CC[N@@H+](Cc1cc(F)ccc1F)[C@@H](C)C(=O)[O-] ZINC000662216015 412030273 /nfs/dbraw/zinc/03/02/73/412030273.db2.gz MNPDZCYOFTUIRE-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)c1coc(CN)c1 ZINC000187184855 170962149 /nfs/dbraw/zinc/96/21/49/170962149.db2.gz KMFVYUKZTQBEEZ-LLVKDONJSA-N 0 1 236.315 2.143 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])C[C@H]1CC1(C)C ZINC000662231208 412032675 /nfs/dbraw/zinc/03/26/75/412032675.db2.gz BRGSGJINKMTVGY-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccncc1CN(C)CC1=CCSC1 ZINC000662268177 412060249 /nfs/dbraw/zinc/06/02/49/412060249.db2.gz RPPBXGUFGTZDKW-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000133098827 171006807 /nfs/dbraw/zinc/00/68/07/171006807.db2.gz XRNLBOMTYCNLEQ-SNVBAGLBSA-N 0 1 235.331 2.405 20 0 BEADMN Cc1ncccc1CN(C)CC1=CCSC1 ZINC000662266926 412058624 /nfs/dbraw/zinc/05/86/24/412058624.db2.gz OAIRLLKKAVMYOU-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1c1ncnc2[nH]cnc21 ZINC000271488367 171040495 /nfs/dbraw/zinc/04/04/95/171040495.db2.gz VKVXYYHPMJFNGI-RKDXNWHRSA-N 0 1 231.303 2.120 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@H](C)c1nc(C)no1 ZINC000336656925 171045582 /nfs/dbraw/zinc/04/55/82/171045582.db2.gz AOXQQROKQPHLOZ-QNSHHTMESA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1c1ncnc2[nH]cnc21 ZINC000271488362 171055950 /nfs/dbraw/zinc/05/59/50/171055950.db2.gz VKVXYYHPMJFNGI-DTWKUNHWSA-N 0 1 231.303 2.120 20 0 BEADMN CC[C@@H]1CC[C@H]1N[C@H](C)c1nc(C)no1 ZINC000336656929 171060211 /nfs/dbraw/zinc/06/02/11/171060211.db2.gz AOXQQROKQPHLOZ-SZEHBUNVSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H]1CN(CC2CCC2)C[C@H](C)[S@]1=O ZINC000352868380 171079300 /nfs/dbraw/zinc/07/93/00/171079300.db2.gz LRTNGXAZNRULIA-JVLSTEMRSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(CCCc2ccncc2)CCO1 ZINC000360436050 171081530 /nfs/dbraw/zinc/08/15/30/171081530.db2.gz GSMDXZWTLZVIPY-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)CCC(C)C)C[C@H](C)O1 ZINC000361244417 171083939 /nfs/dbraw/zinc/08/39/39/171083939.db2.gz LVBFCDWOERCZHX-MELADBBJSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000270846047 171088900 /nfs/dbraw/zinc/08/89/00/171088900.db2.gz FZEFQFIXBRDJBF-ZWNOBZJWSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2cncs2)CCCO1 ZINC000281232621 171090386 /nfs/dbraw/zinc/09/03/86/171090386.db2.gz LDZBSYQVYIKOHF-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000281851850 171140643 /nfs/dbraw/zinc/14/06/43/171140643.db2.gz SFDMKXQBVZWSGV-BXKDBHETSA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000281745292 171140988 /nfs/dbraw/zinc/14/09/88/171140988.db2.gz HKCQJGXRJKVTRC-LDYMZIIASA-N 0 1 229.283 2.091 20 0 BEADMN CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)[O-] ZINC000262369526 171143061 /nfs/dbraw/zinc/14/30/61/171143061.db2.gz IJBSMLLCJJNBNP-CYBMUJFWSA-N 0 1 233.311 2.298 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2ccc(OC)nn2)C1 ZINC000283015935 171199365 /nfs/dbraw/zinc/19/93/65/171199365.db2.gz GONYSFCWCBPBGO-AWEZNQCLSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@H](C(=O)Nc1cc(C)cc(F)c1)N(C)C ZINC000124451784 171233713 /nfs/dbraw/zinc/23/37/13/171233713.db2.gz QSAFFKIVWRSLIX-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)Nc1ccccc1F)N(C)C ZINC000268720145 171234774 /nfs/dbraw/zinc/23/47/74/171234774.db2.gz HVHFXXQAPUGHBA-LLVKDONJSA-N 0 1 224.279 2.104 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccs1 ZINC000082602650 171237015 /nfs/dbraw/zinc/23/70/15/171237015.db2.gz WSAFEWPVNSCEJY-SNVBAGLBSA-N 0 1 227.329 2.086 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC2(CCC2)CC1 ZINC000370739182 171240266 /nfs/dbraw/zinc/24/02/66/171240266.db2.gz MHFJRPYQUFKQGQ-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CC[C@H](C(=O)OC)N1CCCC(C)(C)C1 ZINC000353315410 171240720 /nfs/dbraw/zinc/24/07/20/171240720.db2.gz PLVWAJWYYNPORZ-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336463680 171247548 /nfs/dbraw/zinc/24/75/48/171247548.db2.gz QAMMWGSOOMSHFW-JTQLQIEISA-N 0 1 235.331 2.162 20 0 BEADMN CC[C@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176922884 171254980 /nfs/dbraw/zinc/25/49/80/171254980.db2.gz VRRLULGINBVSII-JTQLQIEISA-N 0 1 235.331 2.128 20 0 BEADMN CC[C@H](C)CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000359925769 171258893 /nfs/dbraw/zinc/25/88/93/171258893.db2.gz OMHKMTDVQWLZNT-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000359925768 171259118 /nfs/dbraw/zinc/25/91/18/171259118.db2.gz OMHKMTDVQWLZNT-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)NCCN1CC=CCC1 ZINC000355504253 171266195 /nfs/dbraw/zinc/26/61/95/171266195.db2.gz VXURWPHQERBYAX-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN CC[C@H](C)CCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000354233899 171268300 /nfs/dbraw/zinc/26/83/00/171268300.db2.gz ALXFDDGVWHJGOI-QWRGUYRKSA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881468 171271172 /nfs/dbraw/zinc/27/11/72/171271172.db2.gz HTSJNXFUAGVCTF-WFASDCNBSA-N 0 1 248.370 2.365 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300228320 171281676 /nfs/dbraw/zinc/28/16/76/171281676.db2.gz MQFNVYYNDWAMFB-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)N(C)Cc1occc1C(=O)OC ZINC000355344053 171309451 /nfs/dbraw/zinc/30/94/51/171309451.db2.gz NYAYIJWSANIKIZ-VIFPVBQESA-N 0 1 225.288 2.297 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CCCC1 ZINC000042011573 171310526 /nfs/dbraw/zinc/31/05/26/171310526.db2.gz SPGBMRKHCCDXME-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C)N(CCO)Cc1ccn(C(C)C)n1 ZINC000336720586 171313477 /nfs/dbraw/zinc/31/34/77/171313477.db2.gz WZMZGTZSLIMKBP-LBPRGKRZSA-N 0 1 239.363 2.057 20 0 BEADMN CC[C@H](C)N(CCO)Cc1nc2ccccc2[nH]1 ZINC000310950874 171314947 /nfs/dbraw/zinc/31/49/47/171314947.db2.gz RBXBJWFNINFEQU-NSHDSACASA-N 0 1 247.342 2.156 20 0 BEADMN CC[C@H](C)[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000337262623 171317909 /nfs/dbraw/zinc/31/79/09/171317909.db2.gz YZWRAUCRWGOHRF-NSHDSACASA-N 0 1 226.364 2.116 20 0 BEADMN CC[C@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000337262623 171317910 /nfs/dbraw/zinc/31/79/10/171317910.db2.gz YZWRAUCRWGOHRF-NSHDSACASA-N 0 1 226.364 2.116 20 0 BEADMN CC[C@H](C)N1CCN(Cc2cncs2)CC1 ZINC000295205403 171318480 /nfs/dbraw/zinc/31/84/80/171318480.db2.gz KTYRAPZGWXCMRY-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)NCc1cccs1 ZINC000036984172 171334357 /nfs/dbraw/zinc/33/43/57/171334357.db2.gz ZCDFLKMBSWOCSM-UWVGGRQHSA-N 0 1 240.372 2.141 20 0 BEADMN CC[C@H](C)OCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000269706694 171354620 /nfs/dbraw/zinc/35/46/20/171354620.db2.gz LVBZOCRFLMAWDE-VIFPVBQESA-N 0 1 247.298 2.317 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CNCc1csc(C)n1 ZINC000112380031 171383143 /nfs/dbraw/zinc/38/31/43/171383143.db2.gz FQHHMAZRHDDFFE-CABZTGNLSA-N 0 1 242.388 2.338 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@H](C)c1nc(C)no1 ZINC000309169168 171391385 /nfs/dbraw/zinc/39/13/85/171391385.db2.gz KOLVLAMHAANLCH-XHNCKOQMSA-N 0 1 211.309 2.463 20 0 BEADMN COCC1(NCc2cc(C)on2)CCCCC1 ZINC000662338152 412108589 /nfs/dbraw/zinc/10/85/89/412108589.db2.gz ZIHASTZCRNTZKR-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CC(C)c1nc(CN(C)C[C@@H]2CC2(C)C)n[nH]1 ZINC000662343556 412110858 /nfs/dbraw/zinc/11/08/58/412110858.db2.gz LTGYPKJUIMRXKP-JTQLQIEISA-N 0 1 236.363 2.406 20 0 BEADMN CCn1ccnc1CN(C)C[C@H]1CC1(C)C ZINC000662343997 412114351 /nfs/dbraw/zinc/11/43/51/412114351.db2.gz FDWQELAFWHSGEN-LLVKDONJSA-N 0 1 221.348 2.381 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CC2(C)C)no1 ZINC000662344249 412114479 /nfs/dbraw/zinc/11/44/79/412114479.db2.gz OYWKUKFGLCNVFZ-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1nnc([C@@H](C)N(C)C[C@@H]2CC2(C)C)o1 ZINC000662346982 412117973 /nfs/dbraw/zinc/11/79/73/412117973.db2.gz GYYTXKVHWZZXDL-SCZZXKLOSA-N 0 1 223.320 2.417 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccccn1)[C@@H](O)C(F)F ZINC000295049905 171538205 /nfs/dbraw/zinc/53/82/05/171538205.db2.gz NIJPOEYHPQKLEK-ATZCPNFKSA-N 0 1 244.285 2.137 20 0 BEADMN CC[C@@H](NCc1cccc(N)c1)c1ccn(C)n1 ZINC000665232948 412172806 /nfs/dbraw/zinc/17/28/06/412172806.db2.gz YGTJZNPYBRIOEH-CYBMUJFWSA-N 0 1 244.342 2.243 20 0 BEADMN c1nnsc1CN1CC[C@@H](C2CCC2)C1 ZINC000665290183 412235318 /nfs/dbraw/zinc/23/53/18/412235318.db2.gz NOHPPWCPWRZUTK-SNVBAGLBSA-N 0 1 223.345 2.160 20 0 BEADMN CC[C@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000124084401 171630043 /nfs/dbraw/zinc/63/00/43/171630043.db2.gz ILWAVMOGVZKWHT-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000662892725 412337346 /nfs/dbraw/zinc/33/73/46/412337346.db2.gz HJKRBZCQJRYIEQ-MNOVXSKESA-N 0 1 234.299 2.080 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000662892726 412337732 /nfs/dbraw/zinc/33/77/32/412337732.db2.gz HJKRBZCQJRYIEQ-QWRGUYRKSA-N 0 1 234.299 2.080 20 0 BEADMN CC(C)CC1(NC(=O)c2ccc(CN)o2)CC1 ZINC000662925695 412347185 /nfs/dbraw/zinc/34/71/85/412347185.db2.gz JZHJXPZEGZJZPZ-UHFFFAOYSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1ncc(CNCc2ccc(CO)cc2)s1 ZINC000133043932 412393290 /nfs/dbraw/zinc/39/32/90/412393290.db2.gz VMFFUAFOXNSJMM-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCCF)n1 ZINC000663251724 412401808 /nfs/dbraw/zinc/40/18/08/412401808.db2.gz UTUAZHZUBCCXFS-QMMMGPOBSA-N 0 1 215.272 2.018 20 0 BEADMN CCc1nc(CNC[C@H](OC)C2CC2)cs1 ZINC000292996621 171986976 /nfs/dbraw/zinc/98/69/76/171986976.db2.gz MQRCPWHMCQEIBQ-NSHDSACASA-N 0 1 240.372 2.220 20 0 BEADMN CCc1nnc(SC2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC000338539769 172001359 /nfs/dbraw/zinc/00/13/59/172001359.db2.gz MCKOQOBJTIWQFD-YUMQZZPRSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1n[nH]c(SC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000338539769 172001362 /nfs/dbraw/zinc/00/13/62/172001362.db2.gz MCKOQOBJTIWQFD-YUMQZZPRSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1nc([C@@H](C)NCC2(O)CCC2)cs1 ZINC000336772791 172002471 /nfs/dbraw/zinc/00/24/71/172002471.db2.gz VTFNIECYSMJCTF-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN CCc1nc([C@H](C)NCCCCO)cs1 ZINC000299205595 172005753 /nfs/dbraw/zinc/00/57/53/172005753.db2.gz GGYCYPVBLSASEY-VIFPVBQESA-N 0 1 228.361 2.129 20 0 BEADMN CCc1nc([C@H](C)NC[C@H](O)C(C)C)cs1 ZINC000284219307 172006392 /nfs/dbraw/zinc/00/63/92/172006392.db2.gz ZSRPVHDUODPAKM-ONGXEEELSA-N 0 1 242.388 2.373 20 0 BEADMN CCc1nc2c(s1)[C@H]([N@@H+](C)CCO)CCC2 ZINC000152714333 172008577 /nfs/dbraw/zinc/00/85/77/172008577.db2.gz QPUBYMLQQDVADX-SNVBAGLBSA-N 0 1 240.372 2.007 20 0 BEADMN CCc1nnc(CN2C[C@H](C)CC2(C)C)o1 ZINC000336449856 172050579 /nfs/dbraw/zinc/05/05/79/172050579.db2.gz MIALEQHUVGFIBK-SECBINFHSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@H](C)C2)s1 ZINC000309039996 172053134 /nfs/dbraw/zinc/05/31/34/172053134.db2.gz KQUWMAYPQJMLMW-DTWKUNHWSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@H](C)C2CCCC2)o1 ZINC000184612141 172053797 /nfs/dbraw/zinc/05/37/97/172053797.db2.gz IVVLPYOYHUMMCL-SECBINFHSA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nnc(CN[C@H](C)C2(C)CC2)s1 ZINC000336762939 172053924 /nfs/dbraw/zinc/05/39/24/172053924.db2.gz OKECHOVWAAAKKH-MRVPVSSYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nc(SCC(=O)C(C)(C)CC)n[nH]1 ZINC000289367943 172061668 /nfs/dbraw/zinc/06/16/68/172061668.db2.gz NUTNEFBSZQAMIB-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CCc1n[nH]c(SCC(=O)C(C)(C)CC)n1 ZINC000289367943 172061670 /nfs/dbraw/zinc/06/16/70/172061670.db2.gz NUTNEFBSZQAMIB-UHFFFAOYSA-N 0 1 241.360 2.465 20 0 BEADMN CCc1nnc(SCCc2cccnc2)[nH]1 ZINC000114097567 172061771 /nfs/dbraw/zinc/06/17/71/172061771.db2.gz QMUXPIWXLYMHRW-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN CCc1n[nH]c(SCCc2cccnc2)n1 ZINC000114097567 172061774 /nfs/dbraw/zinc/06/17/74/172061774.db2.gz QMUXPIWXLYMHRW-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN CCc1nnc(SCC[C@H](C)F)[nH]1 ZINC000308305106 172061805 /nfs/dbraw/zinc/06/18/05/172061805.db2.gz NEPJXVBLKHBTPS-LURJTMIESA-N 0 1 203.286 2.207 20 0 BEADMN CCc1n[nH]c(SCC[C@H](C)F)n1 ZINC000308305106 172061807 /nfs/dbraw/zinc/06/18/07/172061807.db2.gz NEPJXVBLKHBTPS-LURJTMIESA-N 0 1 203.286 2.207 20 0 BEADMN CCc1nnc(SCC[C@@H]2CCCC2=O)[nH]1 ZINC000178488044 172062339 /nfs/dbraw/zinc/06/23/39/172062339.db2.gz OUPWMYSUQLZXKS-QMMMGPOBSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1n[nH]c(SCC[C@@H]2CCCC2=O)n1 ZINC000178488044 172062340 /nfs/dbraw/zinc/06/23/40/172062340.db2.gz OUPWMYSUQLZXKS-QMMMGPOBSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1nnc(SCc2cncc(C)c2)[nH]1 ZINC000189822271 172064107 /nfs/dbraw/zinc/06/41/07/172064107.db2.gz MLFDYRZCAJMKIW-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2cncc(C)c2)n1 ZINC000189822271 172064109 /nfs/dbraw/zinc/06/41/09/172064109.db2.gz MLFDYRZCAJMKIW-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1nnc([C@@H](C)NC(CC)CC)o1 ZINC000111194118 172064781 /nfs/dbraw/zinc/06/47/81/172064781.db2.gz UIDNYLXWJMPTEG-MRVPVSSYSA-N 0 1 211.309 2.471 20 0 BEADMN CCc1noc(C)c1CN(C)[C@H]1CCSC1 ZINC000162666510 172075485 /nfs/dbraw/zinc/07/54/85/172075485.db2.gz IQDQRUAPUXYLNR-JTQLQIEISA-N 0 1 240.372 2.483 20 0 BEADMN CCc1nocc1CN(C)CCC(C)(C)OC ZINC000339605674 172092938 /nfs/dbraw/zinc/09/29/38/172092938.db2.gz XDRUOYBRAGUQJC-UHFFFAOYSA-N 0 1 240.347 2.484 20 0 BEADMN CCc1oc(CN(C)CC)cc1C(=O)OC ZINC000338919952 172110942 /nfs/dbraw/zinc/11/09/42/172110942.db2.gz IXYYSDGYUZHILH-UHFFFAOYSA-N 0 1 225.288 2.080 20 0 BEADMN CCc1oc(C(=O)OC)cc1CN1CCCC1 ZINC000176978283 172111688 /nfs/dbraw/zinc/11/16/88/172111688.db2.gz IXCZRDHHBJVUOV-UHFFFAOYSA-N 0 1 237.299 2.224 20 0 BEADMN CCn1cc(CN2CCC(C(F)F)CC2)cn1 ZINC000353673085 172162066 /nfs/dbraw/zinc/16/20/66/172162066.db2.gz OUXBZFSWZWPVEV-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN CCn1cc(CN(C)Cc2ccc(O)cc2)cn1 ZINC000276825450 172163421 /nfs/dbraw/zinc/16/34/21/172163421.db2.gz WUUIFCYPUQMNCB-UHFFFAOYSA-N 0 1 245.326 2.241 20 0 BEADMN CCn1cc([C@@H](C)NCc2cncc(C)c2)cn1 ZINC000181845689 172195246 /nfs/dbraw/zinc/19/52/46/172195246.db2.gz BUEMXLLZJPCPSU-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@H](C)N[C@H]2CCC[C@@H]2F)cn1 ZINC000340529217 172197074 /nfs/dbraw/zinc/19/70/74/172197074.db2.gz IULOCICEETWBMQ-DLOVCJGASA-N 0 1 225.311 2.444 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000122973303 172219483 /nfs/dbraw/zinc/21/94/83/172219483.db2.gz NJSPWABUEBAHAY-VXGBXAGGSA-N 0 1 221.348 2.381 20 0 BEADMN CCn1ccnc1CN1[C@H](C)CC[C@@H]1C ZINC000123202785 172221849 /nfs/dbraw/zinc/22/18/49/172221849.db2.gz KDECQXGRBLYZDJ-PHIMTYICSA-N 0 1 207.321 2.276 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCSC1 ZINC000295158071 172230217 /nfs/dbraw/zinc/23/02/17/172230217.db2.gz DMJIQRVCCPQJEQ-VHSXEESVSA-N 0 1 225.361 2.059 20 0 BEADMN CCn1nccc1CCN(C)CCC(F)(F)F ZINC000338546093 172260548 /nfs/dbraw/zinc/26/05/48/172260548.db2.gz JPOWVCDRHSIRTJ-UHFFFAOYSA-N 0 1 249.280 2.330 20 0 BEADMN CCn1ncnc1CN1CCC2(CCC2)CC1 ZINC000368620353 172279498 /nfs/dbraw/zinc/27/94/98/172279498.db2.gz YLPAJYCHNQEVPV-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CN(C(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC000076014179 172308697 /nfs/dbraw/zinc/30/86/97/172308697.db2.gz NBYZRAHBOLKBLE-UHFFFAOYSA-N 0 1 246.354 2.381 20 0 BEADMN CN(C)C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC000089195138 172392233 /nfs/dbraw/zinc/39/22/33/172392233.db2.gz IXFHZSDTILKBAJ-UHFFFAOYSA-N 0 1 239.225 2.202 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000105684827 172671972 /nfs/dbraw/zinc/67/19/72/172671972.db2.gz GXYAIFKTEDIMOT-ZDUSSCGKSA-N 0 1 233.311 2.471 20 0 BEADMN CN1CCCC[C@H]1CNc1nccnc1Cl ZINC000044565949 173009471 /nfs/dbraw/zinc/00/94/71/173009471.db2.gz DLBLYQNOSQEJFD-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCCCC1CCCC1 ZINC000354151711 173024217 /nfs/dbraw/zinc/02/42/17/173024217.db2.gz YSVBNLHXCCZBFT-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@@H]1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000353892947 173025346 /nfs/dbraw/zinc/02/53/46/173025346.db2.gz HPJLHBBSINNVFQ-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCN(C(=O)CC2CCCC2)C(C)(C)C1 ZINC000335941329 173063358 /nfs/dbraw/zinc/06/33/58/173063358.db2.gz RRXHBZNXYNDAJS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CNC(=O)c1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000336567593 173311668 /nfs/dbraw/zinc/31/16/68/173311668.db2.gz OUQDQPWCKMBQPM-GHMZBOCLSA-N 0 1 232.327 2.029 20 0 BEADMN CNCc1nc(-c2ccccc2Cl)no1 ZINC000045894464 173394528 /nfs/dbraw/zinc/39/45/28/173394528.db2.gz CPOJREMLQKUFEN-UHFFFAOYSA-N 0 1 223.663 2.109 20 0 BEADMN CCC1(CC)CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000087256711 487627182 /nfs/dbraw/zinc/62/71/82/487627182.db2.gz OJXYULWUWNNORU-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN COC(C)(C)CCN[C@@H](C)c1ccon1 ZINC000308924559 173937700 /nfs/dbraw/zinc/93/77/00/173937700.db2.gz HWITVAIRGCBLHG-VIFPVBQESA-N 0 1 212.293 2.140 20 0 BEADMN COCC1(NCc2ncc(C)s2)CCC1 ZINC000296625558 174110967 /nfs/dbraw/zinc/11/09/67/174110967.db2.gz BMOBKNXMMAWFTO-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN COCC1=CCN([C@H](C)c2cccnc2)CC1 ZINC000360786795 174116088 /nfs/dbraw/zinc/11/60/88/174116088.db2.gz LANBRNOUHNIIRP-GFCCVEGCSA-N 0 1 232.327 2.421 20 0 BEADMN COCC1=CCN(Cc2cnccc2C)CC1 ZINC000274982592 174116858 /nfs/dbraw/zinc/11/68/58/174116858.db2.gz MPUKWJBAQZSXOJ-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCCC1(CNCc2cc(C)on2)CCC1 ZINC000355684649 174156002 /nfs/dbraw/zinc/15/60/02/174156002.db2.gz QWKNAMVORIWXQO-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN COCCC1(CNCc2cscn2)CC1 ZINC000124586418 174156845 /nfs/dbraw/zinc/15/68/45/174156845.db2.gz MDVQLSPAKSEFFW-UHFFFAOYSA-N 0 1 226.345 2.049 20 0 BEADMN COCCCC(=O)Nc1cccc(Cl)c1O ZINC000077012363 174168357 /nfs/dbraw/zinc/16/83/57/174168357.db2.gz XWZIMMIBSKLFLX-UHFFFAOYSA-N 0 1 243.690 2.411 20 0 BEADMN COCCCN(C)Cc1cnc(Cl)s1 ZINC000086776843 174218728 /nfs/dbraw/zinc/21/87/28/174218728.db2.gz XEFSNDCGCXSMRR-UHFFFAOYSA-N 0 1 234.752 2.265 20 0 BEADMN COCCCN1CCC[C@H]1c1nccs1 ZINC000377492581 174230060 /nfs/dbraw/zinc/23/00/60/174230060.db2.gz FLDSDJYKDROBMV-JTQLQIEISA-N 0 1 226.345 2.317 20 0 BEADMN COCCCNc1ccnc(C)c1Cl ZINC000308650378 174252037 /nfs/dbraw/zinc/25/20/37/174252037.db2.gz JUMVCWIJYPRPQO-UHFFFAOYSA-N 0 1 214.696 2.492 20 0 BEADMN COCCC[C@@H](C)N[C@H](C)c1nnc(C)s1 ZINC000309678155 174261703 /nfs/dbraw/zinc/26/17/03/174261703.db2.gz YMUZTOBNRNBWPU-RKDXNWHRSA-N 0 1 243.376 2.312 20 0 BEADMN COCCN(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000044177481 174278671 /nfs/dbraw/zinc/27/86/71/174278671.db2.gz NCVALRQKLQKQQB-GFCCVEGCSA-N 0 1 249.310 2.044 20 0 BEADMN COCCN(Cc1cc[nH]n1)C[C@@H]1CC=CCC1 ZINC000361674587 174299193 /nfs/dbraw/zinc/29/91/93/174299193.db2.gz GNBXQHBPUUEMIZ-CYBMUJFWSA-N 0 1 249.358 2.214 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@@H]1CC[C@H](C)C1 ZINC000361627693 174299264 /nfs/dbraw/zinc/29/92/64/174299264.db2.gz FIQWJIQYTDTORN-WCQYABFASA-N 0 1 237.347 2.047 20 0 BEADMN COCCN1CCOC2(C1)CCCCCC2 ZINC000119494955 174312184 /nfs/dbraw/zinc/31/21/84/174312184.db2.gz GLLQQOBECARQTN-UHFFFAOYSA-N 0 1 227.348 2.058 20 0 BEADMN COCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000045206226 174339741 /nfs/dbraw/zinc/33/97/41/174339741.db2.gz OMHZNIADWFXJLN-JTQLQIEISA-N 0 1 226.345 2.139 20 0 BEADMN COCCOc1ccc([C@@H](C)NCCF)cc1 ZINC000281196369 174368672 /nfs/dbraw/zinc/36/86/72/174368672.db2.gz XXFVOUKWJXWUNW-LLVKDONJSA-N 0 1 241.306 2.332 20 0 BEADMN COCC[C@@H](NCc1cocn1)C(C)(C)C ZINC000309627577 174393879 /nfs/dbraw/zinc/39/38/79/174393879.db2.gz GURULPPJRCVENK-LLVKDONJSA-N 0 1 226.320 2.215 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000290167944 174713084 /nfs/dbraw/zinc/71/30/84/174713084.db2.gz MKRQIXHKKFLZCZ-UTLUCORTSA-N 0 1 212.293 2.057 20 0 BEADMN COc1ccc(C)cc1CN(C)[C@H]1CCOC1 ZINC000336708986 175074606 /nfs/dbraw/zinc/07/46/06/175074606.db2.gz PIZOCOPFSAJKLZ-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN COc1ccc(C)cc1NCc1cnc[nH]1 ZINC000054763201 175078354 /nfs/dbraw/zinc/07/83/54/175078354.db2.gz NUXAYJABYVEBPZ-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COc1ccc(CCNCc2cc(C)on2)cc1 ZINC000105918015 175091836 /nfs/dbraw/zinc/09/18/36/175091836.db2.gz LEEHSLNCQXCSAU-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN COc1ccc(CNCc2ccc(CO)o2)cc1 ZINC000077897695 175108057 /nfs/dbraw/zinc/10/80/57/175108057.db2.gz NOZRJFZKIWSKCX-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN COc1ccc(F)cc1CNCc1[nH]ncc1C ZINC000289590249 175130251 /nfs/dbraw/zinc/13/02/51/175130251.db2.gz UBEILRPMWLSLFC-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN COc1ccc2c(c1)[C@H](NCCF)CC2 ZINC000280886903 175215881 /nfs/dbraw/zinc/21/58/81/175215881.db2.gz BGHSLJACSZFVRO-GFCCVEGCSA-N 0 1 209.264 2.242 20 0 BEADMN COc1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000280429085 175254895 /nfs/dbraw/zinc/25/48/95/175254895.db2.gz JHLUOBIZDITKIE-UHFFFAOYSA-N 0 1 231.299 2.050 20 0 BEADMN COc1cccc(CN2CCC=C(C)C2)n1 ZINC000280815666 175257721 /nfs/dbraw/zinc/25/77/21/175257721.db2.gz MSIFPQLPGMDHQH-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1cccc(CNCc2cncs2)c1 ZINC000054788128 175265505 /nfs/dbraw/zinc/26/55/05/175265505.db2.gz RFONUHJYDDHLSD-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC2CC2)c1 ZINC000077427145 175285838 /nfs/dbraw/zinc/28/58/38/175285838.db2.gz AFAXXSKOFZXHAJ-ZDUSSCGKSA-N 0 1 249.310 2.163 20 0 BEADMN COc1cccc2c1CCN(CCOC(C)C)C2 ZINC000182724887 175300625 /nfs/dbraw/zinc/30/06/25/175300625.db2.gz BSMVWIBHHNDMEA-UHFFFAOYSA-N 0 1 249.354 2.478 20 0 BEADMN COc1ccccc1CCNCc1cocn1 ZINC000192280211 175323845 /nfs/dbraw/zinc/32/38/45/175323845.db2.gz STCJCGODHVFOSN-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN COc1ccccc1CN(C)C[C@@H]1CCCO1 ZINC000066561276 175324712 /nfs/dbraw/zinc/32/47/12/175324712.db2.gz ULBZNVUJQWEIQF-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN COc1ccccc1[C@@H](C)NC(=O)C(F)(F)F ZINC000070266782 175344201 /nfs/dbraw/zinc/34/42/01/175344201.db2.gz QVYAEANAOYKSCB-SSDOTTSWSA-N 0 1 247.216 2.435 20 0 BEADMN COc1ccnc(NCC2(OC)CCCC2)c1 ZINC000358396184 175364812 /nfs/dbraw/zinc/36/48/12/175364812.db2.gz VHJHGZQMXSEMFV-UHFFFAOYSA-N 0 1 236.315 2.461 20 0 BEADMN COc1ccnc(NCc2cccc(OC)n2)c1 ZINC000083373655 175365534 /nfs/dbraw/zinc/36/55/34/175365534.db2.gz SBKKQACAAOZSME-UHFFFAOYSA-N 0 1 245.282 2.106 20 0 BEADMN COc1cncc(CN2CCC(CF)CC2)c1 ZINC000295200169 175384297 /nfs/dbraw/zinc/38/42/97/175384297.db2.gz VECYPVYPDDPTED-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cncc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000336390296 175384789 /nfs/dbraw/zinc/38/47/89/175384789.db2.gz YJONRFSFWOWBHP-LLVKDONJSA-N 0 1 232.327 2.488 20 0 BEADMN COc1cncc(CN[C@H](C)c2cccnc2)c1 ZINC000290097202 175386140 /nfs/dbraw/zinc/38/61/40/175386140.db2.gz XKIQXQPORUCUAW-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1ncc(CN2CCC(C)CC2)c(C)n1 ZINC000337137073 175399423 /nfs/dbraw/zinc/39/94/23/175399423.db2.gz PEEMOLLLDFCJRP-UHFFFAOYSA-N 0 1 235.331 2.026 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000054069002 175623880 /nfs/dbraw/zinc/62/38/80/175623880.db2.gz FPWJZOQJNMYITF-NSHDSACASA-N 0 1 221.300 2.024 20 0 BEADMN C[C@@H](N[C@@H](C)CC(C)(C)O)c1nccs1 ZINC000296481762 175649621 /nfs/dbraw/zinc/64/96/21/175649621.db2.gz OGVLAZOCTIWZJF-DTWKUNHWSA-N 0 1 228.361 2.343 20 0 BEADMN C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CC(N)=O ZINC000299586312 176014022 /nfs/dbraw/zinc/01/40/22/176014022.db2.gz DZCBKTAFBUBPHA-NSHDSACASA-N 0 1 248.370 2.462 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CC1(C)COC1 ZINC000336691445 176026341 /nfs/dbraw/zinc/02/63/41/176026341.db2.gz BKGAYIIWOMEDHZ-NSHDSACASA-N 0 1 220.316 2.111 20 0 BEADMN C[C@@H](c1ccccn1)N(C)CC[N@@H+](C)C1CC1 ZINC000186770495 176027035 /nfs/dbraw/zinc/02/70/35/176027035.db2.gz GOELRIZWQMGYCG-LBPRGKRZSA-N 0 1 233.359 2.169 20 0 BEADMN C[C@@H](c1ccco1)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000048943727 176030604 /nfs/dbraw/zinc/03/06/04/176030604.db2.gz TYCGMYFEVGAXBH-VIFPVBQESA-N 0 1 245.282 2.369 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)N(C)C ZINC000298307517 176032785 /nfs/dbraw/zinc/03/27/85/176032785.db2.gz YFHQSBRIQWFMMC-JTQLQIEISA-N 0 1 240.372 2.219 20 0 BEADMN C[C@@H](c1cnccn1)N(C)CCc1nccs1 ZINC000184688316 176035548 /nfs/dbraw/zinc/03/55/48/176035548.db2.gz DMSDJPHDKHGNJZ-JTQLQIEISA-N 0 1 248.355 2.169 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@H](CO)C1 ZINC000181118775 176039224 /nfs/dbraw/zinc/03/92/24/176039224.db2.gz QEAYHDWNQSUURL-QWRGUYRKSA-N 0 1 246.310 2.203 20 0 BEADMN C[C@@H]1CCC(C)(C)N1Cc1nnc2n1CCCC2 ZINC000336305435 176061055 /nfs/dbraw/zinc/06/10/55/176061055.db2.gz KEHRDNSPCHADPU-LLVKDONJSA-N 0 1 248.374 2.377 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN1CC[S@@](=O)[C@H](C)C1 ZINC000346181980 176076145 /nfs/dbraw/zinc/07/61/45/176076145.db2.gz VWVSJQDWABJBFX-BRXULGCHSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc[nH]1 ZINC000263701948 176077418 /nfs/dbraw/zinc/07/74/18/176077418.db2.gz SMOKUOJVXOAYBQ-KOLCDFICSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCCN1C ZINC000356999082 176078058 /nfs/dbraw/zinc/07/80/58/176078058.db2.gz UYJUVQHUXDOPOX-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000336624392 176079404 /nfs/dbraw/zinc/07/94/04/176079404.db2.gz IIRDOTLNVGNBEE-MNOVXSKESA-N 0 1 249.358 2.382 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCC1 ZINC000043304397 176080173 /nfs/dbraw/zinc/08/01/73/176080173.db2.gz LUQOKKWIPNCUBN-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccn[nH]1 ZINC000049226842 176085788 /nfs/dbraw/zinc/08/57/88/176085788.db2.gz VYHHYBLRULPROE-MWLCHTKSSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000187200614 176087455 /nfs/dbraw/zinc/08/74/55/176087455.db2.gz AQGDSPZXNRDKOJ-BXKDBHETSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000042015828 176095685 /nfs/dbraw/zinc/09/56/85/176095685.db2.gz BJWUOECZNLWCBR-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000051330210 176100358 /nfs/dbraw/zinc/10/03/58/176100358.db2.gz RGASWJLSBDKPIR-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276361983 176100743 /nfs/dbraw/zinc/10/07/43/176100743.db2.gz MSZBYXXQQBGLGY-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CCCN1Cc1cn2ccccc2n1 ZINC000174413054 176110153 /nfs/dbraw/zinc/11/01/53/176110153.db2.gz RXSDDLDQQNFWOI-LLVKDONJSA-N 0 1 215.300 2.319 20 0 BEADMN C[C@@H]1CCCN1Cc1cn(C)nc1C(F)F ZINC000335158511 176110329 /nfs/dbraw/zinc/11/03/29/176110329.db2.gz MFXYUFVZVQPUOF-MRVPVSSYSA-N 0 1 229.274 2.342 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000037911322 176110660 /nfs/dbraw/zinc/11/06/60/176110660.db2.gz BDLPHTIOEIDWIS-PWSUYJOCSA-N 0 1 219.284 2.297 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)[C@@H]1CCCN1C ZINC000346356084 176113197 /nfs/dbraw/zinc/11/31/97/176113197.db2.gz CEFLAVBVFFYYNO-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)N2CCNC[C@H]2C)C1 ZINC000124498768 176116700 /nfs/dbraw/zinc/11/67/00/176116700.db2.gz ARZLPENEUKHXMM-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCNC(=O)C2(C)C)C1 ZINC000356974613 176118139 /nfs/dbraw/zinc/11/81/39/176118139.db2.gz DIYURQYQTKQNJB-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000281936438 176121815 /nfs/dbraw/zinc/12/18/15/176121815.db2.gz RVWMRHCRUQYFNE-VXGBXAGGSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000037256170 176122540 /nfs/dbraw/zinc/12/25/40/176122540.db2.gz SFVDVPCDMFOWPN-MRVWCRGKSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000251561381 176137286 /nfs/dbraw/zinc/13/72/86/176137286.db2.gz BJLCVZPACLBYTJ-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CCC[C@H](CNc2ccncc2C(N)=O)C1 ZINC000302205878 176139101 /nfs/dbraw/zinc/13/91/01/176139101.db2.gz DIFGWWDCBIWUBE-MNOVXSKESA-N 0 1 247.342 2.419 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2csnn2)[C@@H]1C ZINC000036901959 176143935 /nfs/dbraw/zinc/14/39/35/176143935.db2.gz VCTUKORKCFBIDB-KKZNHRDASA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc[nH]2)CC12CCC2 ZINC000271316162 176165296 /nfs/dbraw/zinc/16/52/96/176165296.db2.gz JRAGHGQUTKYNNR-SNVBAGLBSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H]1CCN(Cc2cc[nH]n2)CC12CCC2 ZINC000335312548 176174035 /nfs/dbraw/zinc/17/40/35/176174035.db2.gz DTMSSYNDOAPMHZ-LLVKDONJSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC000071264847 176174804 /nfs/dbraw/zinc/17/48/04/176174804.db2.gz CKEMTVOJJXZWMU-SECBINFHSA-N 0 1 237.274 2.366 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)n2)CC1(C)C ZINC000336396226 176175869 /nfs/dbraw/zinc/17/58/69/176175869.db2.gz BXFMPYXLGVOVFT-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(F)c2F)[C@H]1CO ZINC000248969362 176176441 /nfs/dbraw/zinc/17/64/41/176176441.db2.gz SJGDROYKXFGFRI-SKDRFNHKSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OC(C)(C)C ZINC000123184680 176198551 /nfs/dbraw/zinc/19/85/51/176198551.db2.gz SLLDRSLXDLYTCU-NXEZZACHSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCc3ccc(O)cc3C2)O1 ZINC000334151270 176204021 /nfs/dbraw/zinc/20/40/21/176204021.db2.gz QGSKSRBEIXMOTE-ABAIWWIYSA-N 0 1 247.338 2.318 20 0 BEADMN C[C@@H]1CC[C@H](CN(C)Cc2ccoc2)O1 ZINC000336689682 176224237 /nfs/dbraw/zinc/22/42/37/176224237.db2.gz DEOXZVYBHRKVTN-ZYHUDNBSSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCc3ccc(O)cc3C2)O1 ZINC000334151271 176224978 /nfs/dbraw/zinc/22/49/78/176224978.db2.gz QGSKSRBEIXMOTE-IAQYHMDHSA-N 0 1 247.338 2.318 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC000267744757 176262245 /nfs/dbraw/zinc/26/22/45/176262245.db2.gz XFYDFCFYJPVXCT-NXEZZACHSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@H]1c1ccccc1 ZINC000266299463 176264333 /nfs/dbraw/zinc/26/43/33/176264333.db2.gz IWGRIRJRXQOVSI-ZWNOBZJWSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1cc(F)ccc1F ZINC000353611576 176267696 /nfs/dbraw/zinc/26/76/96/176267696.db2.gz ZCDZLVHLSYHWIG-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)C[C@@H](C2CC2)O1 ZINC000279415125 176294806 /nfs/dbraw/zinc/29/48/06/176294806.db2.gz WHBPLQKBAIWSKY-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(Cc2c(F)cccc2F)C[C@H]1CO ZINC000276864631 176300886 /nfs/dbraw/zinc/30/08/86/176300886.db2.gz XQOLIRILWZGTQD-ZJUUUORDSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1O ZINC000307585750 176313428 /nfs/dbraw/zinc/31/34/28/176313428.db2.gz NAUVUNPKDHWXAX-VXNVDRBHSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000352308633 176391556 /nfs/dbraw/zinc/39/15/56/176391556.db2.gz YNCAYNDFUWEGAE-HTQZYQBOSA-N 0 1 246.270 2.049 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000104426863 176391954 /nfs/dbraw/zinc/39/19/54/176391954.db2.gz RKLDUMPFRGJCBH-RTXFEEFZSA-N 0 1 233.311 2.400 20 0 BEADMN C[C@@H]1C[C@@H]1CNCc1nccc(C(F)F)n1 ZINC000336778808 176396862 /nfs/dbraw/zinc/39/68/62/176396862.db2.gz MKDNSDUKTPOZAY-HTQZYQBOSA-N 0 1 227.258 2.160 20 0 BEADMN C[C@H](C[S@@](C)=O)NCc1ccccc1Cl ZINC000164271522 176720390 /nfs/dbraw/zinc/72/03/90/176720390.db2.gz FXPQSSQGHZENHL-PSLIRLAXSA-N 0 1 245.775 2.197 20 0 BEADMN C[C@H](NCCc1ccccn1)c1nccs1 ZINC000070733252 176854482 /nfs/dbraw/zinc/85/44/82/176854482.db2.gz ZHCFRJOLEIPUBV-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN C[C@H](NCc1cncn1C)c1cccc(F)c1 ZINC000112337381 176881689 /nfs/dbraw/zinc/88/16/89/176881689.db2.gz VETREKRCRYRSRP-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN C[C@@H](CO)[C@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000358832753 176884305 /nfs/dbraw/zinc/88/43/05/176884305.db2.gz WOPVWENDSHXTBE-UWVGGRQHSA-N 0 1 240.347 2.079 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000129904866 177015223 /nfs/dbraw/zinc/01/52/23/177015223.db2.gz OJTZBAXSQLUDEW-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000162800688 177015791 /nfs/dbraw/zinc/01/57/91/177015791.db2.gz OXXDYLLPWHCQSN-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1CC[C@@H](CO)C1 ZINC000269493346 177031382 /nfs/dbraw/zinc/03/13/82/177031382.db2.gz ZIIMKYJHQVNUJQ-NXEZZACHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N(C)CCCO ZINC000299409409 177034589 /nfs/dbraw/zinc/03/45/89/177034589.db2.gz ZFNCMKRTPQLJNP-SECBINFHSA-N 0 1 229.270 2.340 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000264992591 177037242 /nfs/dbraw/zinc/03/72/42/177037242.db2.gz QPURCIJQCWTTDO-TZMCWYRMSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264992589 177037834 /nfs/dbraw/zinc/03/78/34/177037834.db2.gz QPURCIJQCWTTDO-OCCSQVGLSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](C)CC1OCCO1 ZINC000122145910 177038015 /nfs/dbraw/zinc/03/80/15/177038015.db2.gz VAQRJMGUDWXYDC-LLVKDONJSA-N 0 1 221.300 2.052 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC1OCCO1 ZINC000122145910 177038016 /nfs/dbraw/zinc/03/80/16/177038016.db2.gz VAQRJMGUDWXYDC-LLVKDONJSA-N 0 1 221.300 2.052 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000061801481 177038029 /nfs/dbraw/zinc/03/80/29/177038029.db2.gz LOEJFBDPIZQEFA-CYBMUJFWSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC(=O)N1CCCC1 ZINC000061801481 177038031 /nfs/dbraw/zinc/03/80/31/177038031.db2.gz LOEJFBDPIZQEFA-CYBMUJFWSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@H](c1ccccc1)N(CC(=O)N(C)C)C1CC1 ZINC000299402395 177038807 /nfs/dbraw/zinc/03/88/07/177038807.db2.gz WGIHHPBELQVBFL-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000167483816 177040452 /nfs/dbraw/zinc/04/04/52/177040452.db2.gz VOGHOOZJYBZQLU-ZYHUDNBSSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@H](c1ccccn1)N(C)C[C@@H]1CCCO1 ZINC000177102926 177043012 /nfs/dbraw/zinc/04/30/12/177043012.db2.gz QIMQWDFKPMIYOE-NEPJUHHUSA-N 0 1 220.316 2.253 20 0 BEADMN C[C@H](c1ccco1)N(C)Cc1cnc[nH]1 ZINC000180051489 177046945 /nfs/dbraw/zinc/04/69/45/177046945.db2.gz VSBAUZVVJLIAPD-SECBINFHSA-N 0 1 205.261 2.196 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)CCn1cncn1 ZINC000264137985 177048641 /nfs/dbraw/zinc/04/86/41/177048641.db2.gz UBTCXOOSQGBAOZ-SNVBAGLBSA-N 0 1 236.344 2.033 20 0 BEADMN C[C@H](c1cccs1)N(C)C(=O)c1ccn[nH]1 ZINC000044971644 177048915 /nfs/dbraw/zinc/04/89/15/177048915.db2.gz ZFGHAOHOEPBJJA-MRVPVSSYSA-N 0 1 235.312 2.304 20 0 BEADMN C[C@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000158948555 177076493 /nfs/dbraw/zinc/07/64/93/177076493.db2.gz LNFJUZBDBJPGDC-VIFPVBQESA-N 0 1 238.356 2.221 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnccn1 ZINC000336336167 177081291 /nfs/dbraw/zinc/08/12/91/177081291.db2.gz IPPYHGVHBVEIGZ-AAEUAGOBSA-N 0 1 219.332 2.487 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000336624393 177082141 /nfs/dbraw/zinc/08/21/41/177082141.db2.gz IIRDOTLNVGNBEE-QWRGUYRKSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000094563926 177083044 /nfs/dbraw/zinc/08/30/44/177083044.db2.gz ZROOFGGVFYIPDP-ONGXEEELSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000192903281 177085639 /nfs/dbraw/zinc/08/56/39/177085639.db2.gz VYLZGZGKAOUJOP-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H]1CCCC[C@H]1CNCc1ncccn1 ZINC000054459621 177086078 /nfs/dbraw/zinc/08/60/78/177086078.db2.gz INHWDYMETLEKDZ-RYUDHWBXSA-N 0 1 219.332 2.393 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc[nH]1 ZINC000263701942 177087374 /nfs/dbraw/zinc/08/73/74/177087374.db2.gz SMOKUOJVXOAYBQ-GXSJLCMTSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000300273454 177102316 /nfs/dbraw/zinc/10/23/16/177102316.db2.gz PUESWJSTTHJHNO-WCQYABFASA-N 0 1 233.311 2.372 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000037911361 177110045 /nfs/dbraw/zinc/11/00/45/177110045.db2.gz BLGKMPURJHVUQJ-JTQLQIEISA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000357434818 177113750 /nfs/dbraw/zinc/11/37/50/177113750.db2.gz GLKJGBLLAUEDEW-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCCN2C)C1 ZINC000357434818 177113752 /nfs/dbraw/zinc/11/37/52/177113752.db2.gz GLKJGBLLAUEDEW-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCC[C@@H](CC(=O)NCc2cnc[nH]2)C1 ZINC000330896960 177118819 /nfs/dbraw/zinc/11/88/19/177118819.db2.gz LSPFODLDWBFPLD-WDEREUQCSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@H]1CCC[C@@H](CO)[N@H+]1CCC(F)(F)F ZINC000354862353 177120579 /nfs/dbraw/zinc/12/05/79/177120579.db2.gz REHKJUUQMXKUEZ-IUCAKERBSA-N 0 1 225.254 2.174 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@@H]1C ZINC000179338245 177152579 /nfs/dbraw/zinc/15/25/79/177152579.db2.gz CNADCAQRFWQBCO-UWVGGRQHSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@H]1CCN(Cc2cccc(F)c2F)[C@H]1CO ZINC000248969358 177164430 /nfs/dbraw/zinc/16/44/30/177164430.db2.gz SJGDROYKXFGFRI-CABZTGNLSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ncc[nH]2)CC1(C)C ZINC000273742657 177169231 /nfs/dbraw/zinc/16/92/31/177169231.db2.gz SFVCQQARPLXVBA-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN C[C@H]1CCSCCN1Cc1ccno1 ZINC000286352714 177179808 /nfs/dbraw/zinc/17/98/08/177179808.db2.gz XWSKFPYGOVWAFA-VIFPVBQESA-N 0 1 212.318 2.002 20 0 BEADMN C[C@H]1CC[C@H](CN(C)Cc2ccco2)O1 ZINC000188536084 177200677 /nfs/dbraw/zinc/20/06/77/177200677.db2.gz AOXUODWTCMTLJV-CMPLNLGQSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@H]1CC[C@H](CN(C)Cc2cccnc2)O1 ZINC000190957475 177201405 /nfs/dbraw/zinc/20/14/05/177201405.db2.gz XTQSOFATEULDSI-WCQYABFASA-N 0 1 220.316 2.081 20 0 BEADMN CC1(C)Cc2n[nH]cc2CN(CC2(F)CC2)C1 ZINC000668843964 487637552 /nfs/dbraw/zinc/63/75/52/487637552.db2.gz DAYCJAXSOYCFSE-UHFFFAOYSA-N 0 1 237.322 2.296 20 0 BEADMN C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)N1C ZINC000074557176 177221101 /nfs/dbraw/zinc/22/11/01/177221101.db2.gz NNWKWKRPUPINPG-TXEJJXNPSA-N 0 1 247.342 2.243 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C(C)(C)C ZINC000352825614 177239643 /nfs/dbraw/zinc/23/96/43/177239643.db2.gz STVJRXOPLUSXOM-WOPDTQHZSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@H]1CN(CCC2CCCCC2)CC(=O)N1C ZINC000337442945 177246979 /nfs/dbraw/zinc/24/69/79/177246979.db2.gz HAAQKJZHCGAEJU-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CN(CC[C@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000290357027 177253705 /nfs/dbraw/zinc/25/37/05/177253705.db2.gz QNNVEGRARYVNHE-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(CCc2cccnc2)CC(C)(C)O1 ZINC000172075845 177254618 /nfs/dbraw/zinc/25/46/18/177254618.db2.gz WSTGGWXJFDSRDG-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(C[C@@](C)(O)c2ccccc2)C[C@H](C)O1 ZINC000128780548 177257843 /nfs/dbraw/zinc/25/78/43/177257843.db2.gz IWTSOLYAGPYJSJ-VNHYZAJKSA-N 0 1 249.354 2.003 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN1CC[S@@](=O)[C@@H](C)C1 ZINC000346181983 177258747 /nfs/dbraw/zinc/25/87/47/177258747.db2.gz VWVSJQDWABJBFX-OQMKEHIESA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC=CCC2)C[C@H](C)[S@@]1=O ZINC000361660590 177258756 /nfs/dbraw/zinc/25/87/56/177258756.db2.gz LDNQWTCIUWCEDZ-ZWUHOBOKSA-N 0 1 241.400 2.184 20 0 BEADMN C[C@H]1CN(Cc2nnc3n2CCCC3)C(C)(C)C1 ZINC000336501336 177272098 /nfs/dbraw/zinc/27/20/98/177272098.db2.gz RWYQKMRUTQKNOR-LLVKDONJSA-N 0 1 248.374 2.235 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)N1CCNC[C@@H]1C ZINC000126139598 177283233 /nfs/dbraw/zinc/28/32/33/177283233.db2.gz NRIYSDBBHVXVQX-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1COCCN1CCCc1cccc(F)c1 ZINC000272387472 177291191 /nfs/dbraw/zinc/29/11/91/177291191.db2.gz XCSRAURHUQCRKA-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN C[C@H]1COCCN1CCCCOC(C)(C)C ZINC000354878604 177291678 /nfs/dbraw/zinc/29/16/78/177291678.db2.gz MCHOYZJOHFPBBS-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@H]1COCC[C@@H]1NCc1csc(Cl)n1 ZINC000295996324 177295220 /nfs/dbraw/zinc/29/52/20/177295220.db2.gz MJODOQINAXGTIO-CBAPKCEASA-N 0 1 246.763 2.311 20 0 BEADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ncccn2)C1 ZINC000361840167 177314033 /nfs/dbraw/zinc/31/40/33/177314033.db2.gz PYBXFXYNPYHZDJ-WOPDTQHZSA-N 0 1 219.332 2.343 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000011962288 177314518 /nfs/dbraw/zinc/31/45/18/177314518.db2.gz PNIBDUYWMFUQJM-AOOOYVTPSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN(C)C2CC(O)C2)o1 ZINC000355371751 177351490 /nfs/dbraw/zinc/35/14/90/177351490.db2.gz OOYXAPSBRTYBNE-YUVKLTJASA-N 0 1 235.327 2.358 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nnc[nH]2)o1 ZINC000179794921 177351583 /nfs/dbraw/zinc/35/15/83/177351583.db2.gz MBWMJMIMNXZAQO-ONGXEEELSA-N 0 1 246.314 2.153 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2ccncc2C(N)=O)[C@@H](C)C1 ZINC000302217879 177357013 /nfs/dbraw/zinc/35/70/13/177357013.db2.gz KLYAMWOMGKIQJY-JFGNBEQYSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000336418861 177359982 /nfs/dbraw/zinc/35/99/82/177359982.db2.gz DGGXUCDVHZGGRS-UWVGGRQHSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cccc(C(=O)N(C)C)c1 ZINC000336622777 177360574 /nfs/dbraw/zinc/36/05/74/177360574.db2.gz OLFRHQFPOWUKJH-RYUDHWBXSA-N 0 1 246.354 2.371 20 0 BEADMN C[C@@H]1C[C@@H](CCNCc2cocn2)C[C@H](C)O1 ZINC000338473049 177361954 /nfs/dbraw/zinc/36/19/54/177361954.db2.gz HZHRJJBWPVUQMN-ZSBIGDGJSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@H]1N(CCc2ccncc2)CCOC1(C)C ZINC000336505625 177392205 /nfs/dbraw/zinc/39/22/05/177392205.db2.gz LETBAJZZKJXBGG-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC[C@H]1C ZINC000336630276 177538802 /nfs/dbraw/zinc/53/88/02/177538802.db2.gz JSOWDQXPQXPQNL-PSASIEDQSA-N 0 1 235.331 2.370 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc2ccccc2n1 ZINC000038017828 487639103 /nfs/dbraw/zinc/63/91/03/487639103.db2.gz BHIZNUFEHBIRDM-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2ccccc2n1 ZINC000038017828 487639105 /nfs/dbraw/zinc/63/91/05/487639105.db2.gz BHIZNUFEHBIRDM-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CC(C)=CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000038027447 487639399 /nfs/dbraw/zinc/63/93/99/487639399.db2.gz ISODRBKXUMMFOV-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN COc1ccnc(NCC=Cc2ccncc2)c1 ZINC000487552621 225312959 /nfs/dbraw/zinc/31/29/59/225312959.db2.gz BXKWKXJLVJMQKQ-IHWYPQMZSA-N 0 1 241.294 2.032 20 0 BEADMN COc1ccnc(NCC=Cc2ccncc2)c1 ZINC000487552622 225313430 /nfs/dbraw/zinc/31/34/30/225313430.db2.gz BXKWKXJLVJMQKQ-NSCUHMNNSA-N 0 1 241.294 2.032 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]1CC(C)C ZINC000487865631 225327942 /nfs/dbraw/zinc/32/79/42/225327942.db2.gz FCFQRZAFKIVFFS-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H]1C[C@H]1CNCc1nc(-c2ccccc2)no1 ZINC000488568928 225419378 /nfs/dbraw/zinc/41/93/78/225419378.db2.gz BTKIPVBDXKBHLI-PWSUYJOCSA-N 0 1 243.310 2.482 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2)C1 ZINC000232754005 487648844 /nfs/dbraw/zinc/64/88/44/487648844.db2.gz CMTNMWUCLFNEDO-AWEZNQCLSA-N 0 1 248.326 2.014 20 0 BEADMN O=C(/C=C\C1CCCC1)NCCN1CC=CCC1 ZINC000493828879 226256284 /nfs/dbraw/zinc/25/62/84/226256284.db2.gz VZPDVXXFFDAMED-HJWRWDBZSA-N 0 1 248.370 2.111 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cn[nH]c2)c(C)n1 ZINC000494668823 226267591 /nfs/dbraw/zinc/26/75/91/226267591.db2.gz NIMHMLMIUIDDNU-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN C[C@H]1CC[C@@H](N(C)CN2CC(C)(C)OC2=O)C1 ZINC000496849520 226315578 /nfs/dbraw/zinc/31/55/78/226315578.db2.gz CLLOFFKRYHDQJE-WDEREUQCSA-N 0 1 240.347 2.295 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000079488778 487650872 /nfs/dbraw/zinc/65/08/72/487650872.db2.gz CMLSUBVMEGQIPW-AWEZNQCLSA-N 0 1 233.311 2.434 20 0 BEADMN CC(C)C[C@H](N)c1noc(Cc2ccoc2)n1 ZINC000414616398 487652100 /nfs/dbraw/zinc/65/21/00/487652100.db2.gz KBOSTUFNZWZQNN-JTQLQIEISA-N 0 1 235.287 2.299 20 0 BEADMN Cc1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000674911809 487653048 /nfs/dbraw/zinc/65/30/48/487653048.db2.gz NILKWKQLFTZKMB-INTQDDNPSA-N 0 1 221.304 2.171 20 0 BEADMN Cc1noc([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000674911809 487653052 /nfs/dbraw/zinc/65/30/52/487653052.db2.gz NILKWKQLFTZKMB-INTQDDNPSA-N 0 1 221.304 2.171 20 0 BEADMN c1c(CNC2CC2)nnn1CC1CCCCC1 ZINC000203555119 487653920 /nfs/dbraw/zinc/65/39/20/487653920.db2.gz KESKUHWZUMEPGW-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccnc2)C1 ZINC000232785085 487653999 /nfs/dbraw/zinc/65/39/99/487653999.db2.gz CMTNMWUCLFNEDO-CQSZACIVSA-N 0 1 248.326 2.014 20 0 BEADMN Cc1cc(CN2CCC(F)CC2)sn1 ZINC000895547072 583686530 /nfs/dbraw/zinc/68/65/30/583686530.db2.gz KGTOIARIHDDEMR-UHFFFAOYSA-N 0 1 214.309 2.385 20 0 BEADMN CCN1CC[N@H+](CCCc2ccncc2)C[C@@H]1C ZINC000680885768 487664715 /nfs/dbraw/zinc/66/47/15/487664715.db2.gz KIMKCCJFPXFOGN-AWEZNQCLSA-N 0 1 247.386 2.040 20 0 BEADMN CC(C)COCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000669692072 487668287 /nfs/dbraw/zinc/66/82/87/487668287.db2.gz DDTAKUTZEUOHHY-NEPJUHHUSA-N 0 1 217.328 2.339 20 0 BEADMN CCC[C@@](C)([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC000394712846 262744600 /nfs/dbraw/zinc/74/46/00/262744600.db2.gz YINRGBAWGOVCKV-LLVKDONJSA-N 0 1 242.344 2.185 20 0 BEADMN Clc1cnc(N2CCc3cn[nH]c3C2)s1 ZINC000680896649 487668571 /nfs/dbraw/zinc/66/85/71/487668571.db2.gz RCBABAKHKNJZGK-UHFFFAOYSA-N 0 1 240.719 2.082 20 0 BEADMN CC(C)(C)OCCCSc1cn[nH]n1 ZINC000675110893 487669962 /nfs/dbraw/zinc/66/99/62/487669962.db2.gz BMRGRFUUZWVMEU-UHFFFAOYSA-N 0 1 215.322 2.102 20 0 BEADMN CC[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612455 487670412 /nfs/dbraw/zinc/67/04/12/487670412.db2.gz FMYCSJWRUWPSRI-GXFFZTMASA-N 0 1 233.311 2.469 20 0 BEADMN CCCC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557244 487671910 /nfs/dbraw/zinc/67/19/10/487671910.db2.gz IDLRLRIXQDUBLS-SECBINFHSA-N 0 1 239.237 2.126 20 0 BEADMN O=C([O-])c1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000075423192 487672338 /nfs/dbraw/zinc/67/23/38/487672338.db2.gz DEVIUGVLRDADCJ-UHFFFAOYSA-N 0 1 217.268 2.147 20 0 BEADMN COc1cccc(C2(NCc3cn[nH]c3)CC2)c1 ZINC000675155577 487676407 /nfs/dbraw/zinc/67/64/07/487676407.db2.gz CQPFKWMLHCGMHL-UHFFFAOYSA-N 0 1 243.310 2.197 20 0 BEADMN C1CN[C@H](c2noc([C@@H]3CCCCS3)n2)C1 ZINC000087682059 487679039 /nfs/dbraw/zinc/67/90/39/487679039.db2.gz FROXYHOHUQYRFL-IUCAKERBSA-N 0 1 239.344 2.452 20 0 BEADMN CCc1cc(C(=O)N(C)CCC(C)C)n[nH]1 ZINC000097219015 487691483 /nfs/dbraw/zinc/69/14/83/487691483.db2.gz GSCOMCVTQJFRCF-UHFFFAOYSA-N 0 1 223.320 2.090 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCCF)C2 ZINC000384105216 487692196 /nfs/dbraw/zinc/69/21/96/487692196.db2.gz BVDUFIUZGAPEFZ-UHFFFAOYSA-N 0 1 237.274 2.450 20 0 BEADMN Fc1cnccc1CNc1ccc2c(n1)CCC2 ZINC000336218703 487693912 /nfs/dbraw/zinc/69/39/12/487693912.db2.gz OKXVYFWKAVKIJD-UHFFFAOYSA-N 0 1 243.285 2.138 20 0 BEADMN C[C@H](NCCOC1CCCCC1)c1ccncn1 ZINC000395896109 262794168 /nfs/dbraw/zinc/79/41/68/262794168.db2.gz OGYFHUALHAJOLI-LBPRGKRZSA-N 0 1 249.358 2.477 20 0 BEADMN CC[C@@H]1CCCN(CC(=O)c2cccn2C)C1 ZINC000035255794 262841389 /nfs/dbraw/zinc/84/13/89/262841389.db2.gz NXURJPISXMSZHE-GFCCVEGCSA-N 0 1 234.343 2.330 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](C)c2ncccc2F)n[nH]1 ZINC000528827438 262977104 /nfs/dbraw/zinc/97/71/04/262977104.db2.gz VCMQNURNNFZWDJ-JGVFFNPUSA-N 0 1 249.293 2.059 20 0 BEADMN C[C@@H]1SCC[C@@H]1NCc1cscn1 ZINC000220647541 490073369 /nfs/dbraw/zinc/07/33/69/490073369.db2.gz KEKMSZHFCWYVAL-CBAPKCEASA-N 0 1 214.359 2.127 20 0 BEADMN Cc1cc(CN[C@@H]2CCC23CCC3)no1 ZINC000309238328 487707483 /nfs/dbraw/zinc/70/74/83/487707483.db2.gz XXHJQSKUWAPWNW-LLVKDONJSA-N 0 1 206.289 2.405 20 0 BEADMN CC[C@@H](C)CCC(=O)NCc1cc(C)[nH]n1 ZINC000671724564 487708605 /nfs/dbraw/zinc/70/86/05/487708605.db2.gz VJTVCRVDJRZJLD-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN C[C@H]1c2cccn2CCN1CCCn1ccnc1 ZINC000182668594 487719048 /nfs/dbraw/zinc/71/90/48/487719048.db2.gz BOCKCDKBMLSHRQ-ZDUSSCGKSA-N 0 1 244.342 2.152 20 0 BEADMN COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@H](F)C2)C1 ZINC001172616264 974886972 /nfs/dbraw/zinc/88/69/72/974886972.db2.gz KOSFUCNBCRFELF-IJLUTSLNSA-N 0 1 243.322 2.152 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000903597433 584785872 /nfs/dbraw/zinc/78/58/72/584785872.db2.gz LWUSMFXVYFPTPI-KOLCDFICSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1sccc1CN(C)Cc1cnc[nH]1 ZINC000668421892 487725654 /nfs/dbraw/zinc/72/56/54/487725654.db2.gz JZVLTWPEPBAJRA-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CC1(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000675448737 487732751 /nfs/dbraw/zinc/73/27/51/487732751.db2.gz HGSDFXNNAVIVEH-UHFFFAOYSA-N 0 1 242.282 2.006 20 0 BEADMN CC(C)n1ncnc1CNCCc1ccccc1 ZINC000088588586 487738278 /nfs/dbraw/zinc/73/82/78/487738278.db2.gz IMPDODCPTOQVCM-UHFFFAOYSA-N 0 1 244.342 2.191 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000250799745 487741268 /nfs/dbraw/zinc/74/12/68/487741268.db2.gz BFUJGSWTAHBASL-YTWAJWBKSA-N 0 1 233.315 2.398 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)CC(C)C)C[C@@H]1C ZINC000680931942 487747278 /nfs/dbraw/zinc/74/72/78/487747278.db2.gz CBIROQHYRDLSJU-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000251064522 487747666 /nfs/dbraw/zinc/74/76/66/487747666.db2.gz CXRGHIMEQFEBSI-GWCFXTLKSA-N 0 1 233.311 2.326 20 0 BEADMN Cc1cccc(C)c1C(=O)N[C@H]1CCCN(C)C1 ZINC000675565554 487748748 /nfs/dbraw/zinc/74/87/48/487748748.db2.gz QFXSNMNNRKBPNI-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3ccccn3)C2)c1 ZINC000290034000 487749642 /nfs/dbraw/zinc/74/96/42/487749642.db2.gz WAEHCGHTWWCDCB-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN COc1cccc(CN(C)CCCCO)c1F ZINC000384916210 487753891 /nfs/dbraw/zinc/75/38/91/487753891.db2.gz CBXVCHXBMZIZRH-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN C[C@H](Cc1ccsc1)NCc1ncccn1 ZINC000054459492 487754265 /nfs/dbraw/zinc/75/42/65/487754265.db2.gz DLYZWQUWFDFZNV-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)[C@H](C)N(C)C)C1CC1 ZINC000674263383 487755330 /nfs/dbraw/zinc/75/53/30/487755330.db2.gz HDFOWUZRXZPFOX-UTUOFQBUSA-N 0 1 240.391 2.362 20 0 BEADMN CCN(Cc1nonc1C)[C@@H](C)C(C)C ZINC000741788180 585118972 /nfs/dbraw/zinc/11/89/72/585118972.db2.gz PKOILWLKRKFIJZ-JTQLQIEISA-N 0 1 211.309 2.244 20 0 BEADMN CC[C@H]1CCC[C@H](NCc2ncn(C)n2)CC1 ZINC000234103054 487762000 /nfs/dbraw/zinc/76/20/00/487762000.db2.gz YKRQXBKAPSVWRK-RYUDHWBXSA-N 0 1 236.363 2.264 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@@H]1CC1(F)F ZINC000666229666 487764912 /nfs/dbraw/zinc/76/49/12/487764912.db2.gz UZTHFZZCDBBJCI-VGMNWLOBSA-N 0 1 229.274 2.114 20 0 BEADMN Cc1[nH]ncc1CN=c1[nH]c2cc(C)ccc2o1 ZINC000358867673 487781611 /nfs/dbraw/zinc/78/16/11/487781611.db2.gz AMDKPLFZWWPBBW-UHFFFAOYSA-N 0 1 242.282 2.202 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000164053659 487790408 /nfs/dbraw/zinc/79/04/08/487790408.db2.gz NXXKDGVPUCLCPD-CBAPKCEASA-N 0 1 207.277 2.008 20 0 BEADMN C[C@H]1C[C@@H](NC2CC3(CCC3)C2)c2ncnn21 ZINC000668469357 487793863 /nfs/dbraw/zinc/79/38/63/487793863.db2.gz VCGKLHVYUNZEEZ-GXSJLCMTSA-N 0 1 232.331 2.206 20 0 BEADMN COCCC1CN(Cc2ccoc2C)C1 ZINC000668471733 487795836 /nfs/dbraw/zinc/79/58/36/487795836.db2.gz JINGAKUYVLRCFZ-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)n[nH]1 ZINC000681476817 487798296 /nfs/dbraw/zinc/79/82/96/487798296.db2.gz YWPDSFVHNIKITC-YPMHNXCESA-N 0 1 235.331 2.017 20 0 BEADMN Cc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCC2)nc1 ZINC000385786370 487803801 /nfs/dbraw/zinc/80/38/01/487803801.db2.gz YJPMKJOQGIFISW-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CC(C)(CNCc1nccs1)OCC1CC1 ZINC000666424357 487804839 /nfs/dbraw/zinc/80/48/39/487804839.db2.gz DXJYLSYMZCFWOG-UHFFFAOYSA-N 0 1 240.372 2.438 20 0 BEADMN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccco1 ZINC000414309512 487804684 /nfs/dbraw/zinc/80/46/84/487804684.db2.gz XVPUVLFTKWGQPA-KKZNHRDASA-N 0 1 245.269 2.479 20 0 BEADMN COC(=O)CN1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000592153369 487807346 /nfs/dbraw/zinc/80/73/46/487807346.db2.gz BHLGPOOWCJOVJG-VXGBXAGGSA-N 0 1 239.359 2.308 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191663 487819069 /nfs/dbraw/zinc/81/90/69/487819069.db2.gz WXZYIYNCMXONCG-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)(C)OCCCN1CCO[C@@H](C2CC2)C1 ZINC000681594504 487820032 /nfs/dbraw/zinc/82/00/32/487820032.db2.gz SWNSXLDYQDHWST-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CN(C)c1ccccc1CN1CC(C(F)F)C1 ZINC000676222211 487823635 /nfs/dbraw/zinc/82/36/35/487823635.db2.gz FWBQLNAHUWISCU-UHFFFAOYSA-N 0 1 240.297 2.450 20 0 BEADMN CC(C)c1cc(C(=O)N(C)Cc2ccco2)n[nH]1 ZINC000044843668 487825366 /nfs/dbraw/zinc/82/53/66/487825366.db2.gz DRUQMVCIQHOGAJ-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN Cc1ccc(CC[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000075795250 487829775 /nfs/dbraw/zinc/82/97/75/487829775.db2.gz BTUFJIQHSKIFAC-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN CCc1ccccc1C(=O)N[C@H]1CCCN(C)C1 ZINC000676271255 487832203 /nfs/dbraw/zinc/83/22/03/487832203.db2.gz DPSPLLARINWXPS-ZDUSSCGKSA-N 0 1 246.354 2.073 20 0 BEADMN CCCn1nccc1CN1[C@H](C)C[C@H]1C ZINC000668090926 487833962 /nfs/dbraw/zinc/83/39/62/487833962.db2.gz WKQHQPPZIFCCSA-GHMZBOCLSA-N 0 1 207.321 2.276 20 0 BEADMN Cc1occc1CN(C)CCOC(F)F ZINC000851736659 588620366 /nfs/dbraw/zinc/62/03/66/588620366.db2.gz UGHWVIWXSSEBHS-UHFFFAOYSA-N 0 1 219.231 2.259 20 0 BEADMN CS[C@H]1C[C@H](NCc2cscn2)C1 ZINC000865734025 589459144 /nfs/dbraw/zinc/45/91/44/589459144.db2.gz FORVBDJLRDXGFD-XWEPSHTISA-N 0 1 214.359 2.127 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668113847 487843441 /nfs/dbraw/zinc/84/34/41/487843441.db2.gz BIRGHKHGVABGFK-SNVBAGLBSA-N 0 1 249.358 2.065 20 0 BEADMN CC1=CC[C@](C)(C(=O)NCc2cnc[nH]2)CC1 ZINC000668995325 487843928 /nfs/dbraw/zinc/84/39/28/487843928.db2.gz KUDKSOYDGUTPCF-ZDUSSCGKSA-N 0 1 233.315 2.162 20 0 BEADMN C[C@@](O)(CN[C@@H]1CCCC[C@@H]1F)C(F)(F)F ZINC000872217924 589896026 /nfs/dbraw/zinc/89/60/26/589896026.db2.gz CWKNERZQJXASFY-DJLDLDEBSA-N 0 1 243.244 2.170 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@H]2CCC[C@H]21 ZINC000681711637 487848035 /nfs/dbraw/zinc/84/80/35/487848035.db2.gz GALRGAPKYDLOLU-MWLCHTKSSA-N 0 1 233.315 2.321 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccn[nH]1 ZINC000282562320 487869066 /nfs/dbraw/zinc/86/90/66/487869066.db2.gz UJVYJROPROEPJR-NSHDSACASA-N 0 1 249.358 2.379 20 0 BEADMN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cc1O ZINC000403641772 487872975 /nfs/dbraw/zinc/87/29/75/487872975.db2.gz PIRXSDJQONMJCP-FXPVBKGRSA-N 0 1 249.285 2.450 20 0 BEADMN Oc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000670273215 487895890 /nfs/dbraw/zinc/89/58/90/487895890.db2.gz KINTYHXCVULALT-NSHDSACASA-N 0 1 243.253 2.206 20 0 BEADMN CC[C@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048297881 487898967 /nfs/dbraw/zinc/89/89/67/487898967.db2.gz RQCSXLTUBVFEFS-ZETCQYMHSA-N 0 1 235.262 2.230 20 0 BEADMN COC[C@@H](C)NCc1ccc(F)c(F)c1F ZINC000083359505 487903856 /nfs/dbraw/zinc/90/38/56/487903856.db2.gz VDOQTXLBUGFVHC-SSDOTTSWSA-N 0 1 233.233 2.228 20 0 BEADMN c1cc(CN2CC=CCC2)c2c(c1)OCCO2 ZINC000679324632 487905719 /nfs/dbraw/zinc/90/57/19/487905719.db2.gz ZGYLNHXDIFWGEN-UHFFFAOYSA-N 0 1 231.295 2.220 20 0 BEADMN CCCCNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000083368849 487908196 /nfs/dbraw/zinc/90/81/96/487908196.db2.gz HWRSOAQAHXFMLD-NSHDSACASA-N 0 1 240.734 2.256 20 0 BEADMN Fc1ccc(CNC[C@H]2CCCO2)c(F)c1F ZINC000083373484 487909322 /nfs/dbraw/zinc/90/93/22/487909322.db2.gz BKLWZMJEIXDOEB-SECBINFHSA-N 0 1 245.244 2.373 20 0 BEADMN CC(C)OCC(C)(C)NCc1nccs1 ZINC000396364568 487917716 /nfs/dbraw/zinc/91/77/16/487917716.db2.gz NZGTVKYBUQZABF-UHFFFAOYSA-N 0 1 228.361 2.436 20 0 BEADMN CO[C@H](CN[C@H](C)c1ncc[nH]1)CC(C)C ZINC000417360877 487924856 /nfs/dbraw/zinc/92/48/56/487924856.db2.gz KIYDIBZUHZZICW-MNOVXSKESA-N 0 1 225.336 2.121 20 0 BEADMN CC(C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000083643610 487926091 /nfs/dbraw/zinc/92/60/91/487926091.db2.gz BFIBGWLIMZVBFZ-GFCCVEGCSA-N 0 1 219.284 2.079 20 0 BEADMN C[C@@H](C(=O)NCC1(C)CCC(C)CC1)N(C)C ZINC000684500079 487930728 /nfs/dbraw/zinc/93/07/28/487930728.db2.gz NBOWGKYZJBGTAD-LXVYMNJGSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000157986828 487932683 /nfs/dbraw/zinc/93/26/83/487932683.db2.gz VTVZPOUGYCISBC-LLVKDONJSA-N 0 1 227.348 2.465 20 0 BEADMN CCN(CC(=O)NC(C(C)C)C(C)C)C1CC1 ZINC000676844896 487936766 /nfs/dbraw/zinc/93/67/66/487936766.db2.gz UKFOWIQVKNVUDF-UHFFFAOYSA-N 0 1 240.391 2.268 20 0 BEADMN CCCCOCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000049263944 487944813 /nfs/dbraw/zinc/94/48/13/487944813.db2.gz JRTKTLZONNTQAD-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN C[N@H+](CCc1ccccc1F)Cc1c[nH]cn1 ZINC000684617009 487946176 /nfs/dbraw/zinc/94/61/76/487946176.db2.gz IJWYUKBEKNNRND-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN C[N@@H+](CCc1ccccc1F)Cc1c[nH]cn1 ZINC000684617009 487946180 /nfs/dbraw/zinc/94/61/80/487946180.db2.gz IJWYUKBEKNNRND-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN CN(CCc1ccccc1F)Cc1c[nH]cn1 ZINC000684617009 487946184 /nfs/dbraw/zinc/94/61/84/487946184.db2.gz IJWYUKBEKNNRND-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667142215 487946102 /nfs/dbraw/zinc/94/61/02/487946102.db2.gz ORZSFVXGBCAYER-HBNTYKKESA-N 0 1 249.358 2.065 20 0 BEADMN CN(Cc1c[nH]cn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000684619255 487947593 /nfs/dbraw/zinc/94/75/93/487947593.db2.gz LMOJZHWAHMVZPH-UONOGXRCSA-N 0 1 227.311 2.398 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1(C)C ZINC000652443548 487951696 /nfs/dbraw/zinc/95/16/96/487951696.db2.gz CWHBRLYNKYYHNF-KOLCDFICSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1C[C@@H](NCCOC(F)(F)F)c2nccn21 ZINC000398256572 322868028 /nfs/dbraw/zinc/86/80/28/322868028.db2.gz QPWCEZMDIAYUBK-JGVFFNPUSA-N 0 1 249.236 2.015 20 0 BEADMN C[C@@H](NC(=O)c1ccc2cncn2c1)C1CCC1 ZINC000670813851 487957102 /nfs/dbraw/zinc/95/71/02/487957102.db2.gz HYROGXUWGPBKKU-SNVBAGLBSA-N 0 1 243.310 2.253 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000560274201 322985150 /nfs/dbraw/zinc/98/51/50/322985150.db2.gz FMWFJKOSVNSDPR-NWDGAFQWSA-N 0 1 249.358 2.041 20 0 BEADMN Cc1ccccc1NC(=O)CCc1cnc[nH]1 ZINC000074727053 323002733 /nfs/dbraw/zinc/00/27/33/323002733.db2.gz MSGXPRYUPAWIOZ-UHFFFAOYSA-N 0 1 229.283 2.289 20 0 BEADMN Cc1cnccc1CCN[C@H](C)c1ccon1 ZINC000566617239 323007319 /nfs/dbraw/zinc/00/73/19/323007319.db2.gz LUISTBWKJBWCOM-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN CCC[C@H]1C[N@@H+](CCSCC)CCO1 ZINC000132168899 323014370 /nfs/dbraw/zinc/01/43/70/323014370.db2.gz NDEZLIXUXBSEFF-NSHDSACASA-N 0 1 217.378 2.240 20 0 BEADMN C[C@@H](NCc1ncc(-c2ccccc2)o1)[C@H](C)O ZINC000566792456 323014501 /nfs/dbraw/zinc/01/45/01/323014501.db2.gz XQOLRMSBTHWZJJ-MNOVXSKESA-N 0 1 246.310 2.201 20 0 BEADMN Cc1cc(C)c(CNCc2cccnc2)cn1 ZINC000397482398 323019135 /nfs/dbraw/zinc/01/91/35/323019135.db2.gz GBCDPPCPUWDFMB-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC1 ZINC000151624882 323020956 /nfs/dbraw/zinc/02/09/56/323020956.db2.gz BNXSSQLBMIMKMQ-UHFFFAOYSA-N 0 1 245.257 2.062 20 0 BEADMN CC(C)(C(=O)Nc1ccsc1)c1cnc[nH]1 ZINC000562581486 323024944 /nfs/dbraw/zinc/02/49/44/323024944.db2.gz GMSVMVUYUVDXCF-UHFFFAOYSA-N 0 1 235.312 2.388 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1cnccn1)C1CC1 ZINC000562679294 323027347 /nfs/dbraw/zinc/02/73/47/323027347.db2.gz PJYJVGGFZATFHW-SNVBAGLBSA-N 0 1 217.316 2.240 20 0 BEADMN Cc1cc(CNCCc2ccncc2C)no1 ZINC000397517935 323032051 /nfs/dbraw/zinc/03/20/51/323032051.db2.gz AZLKANRNASAJPM-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CCCCOCCN(CC)Cc1cnn(C)c1 ZINC000101730288 323037357 /nfs/dbraw/zinc/03/73/57/323037357.db2.gz ARCPVOAIERYLNV-UHFFFAOYSA-N 0 1 239.363 2.059 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC=CCC1 ZINC000572973376 323037764 /nfs/dbraw/zinc/03/77/64/323037764.db2.gz VVMZNYUQQUKTEE-NEPJUHHUSA-N 0 1 247.342 2.061 20 0 BEADMN CC(C)(C)[C@@H]1CC[C@H]1NCc1ncccn1 ZINC000569941424 323045420 /nfs/dbraw/zinc/04/54/20/323045420.db2.gz MDZDYYYEUYXQCJ-GHMZBOCLSA-N 0 1 219.332 2.391 20 0 BEADMN CCC1(CC)CCN([C@H](C)c2nccc(N)n2)C1 ZINC000570289793 323055479 /nfs/dbraw/zinc/05/54/79/323055479.db2.gz PYRGOBVOJGZHAC-LLVKDONJSA-N 0 1 248.374 2.462 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H](F)C1 ZINC000570405718 323058935 /nfs/dbraw/zinc/05/89/35/323058935.db2.gz RBOJSXBXQLBUSF-SNVBAGLBSA-N 0 1 247.273 2.137 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCc1cccc(F)c1 ZINC000572648438 323062592 /nfs/dbraw/zinc/06/25/92/323062592.db2.gz DBQOFTDGMLNCIZ-JTQLQIEISA-N 0 1 239.290 2.163 20 0 BEADMN Cc1nnc([C@H](C)NC[C@H]2Cc3ccccc32)o1 ZINC000570537804 323062623 /nfs/dbraw/zinc/06/26/23/323062623.db2.gz FVVRIIWTDUBUDA-JOYOIKCWSA-N 0 1 243.310 2.369 20 0 BEADMN Cc1nc(CN[C@@H]2CS[C@H](C)C2)[nH]c1C ZINC000570739619 323069083 /nfs/dbraw/zinc/06/90/83/323069083.db2.gz CWFOCZZFUCVJLV-XCBNKYQSSA-N 0 1 225.361 2.010 20 0 BEADMN OC1(CC[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000570819190 323071496 /nfs/dbraw/zinc/07/14/96/323071496.db2.gz WXFJDVYSFPSSIO-HNNXBMFYSA-N 0 1 249.329 2.472 20 0 BEADMN C[N@@H+](CC/C=C\c1ccccc1)CCC(=O)[O-] ZINC000323347176 323077195 /nfs/dbraw/zinc/07/71/95/323077195.db2.gz ZDVKCBCAYLNLQO-UITAMQMPSA-N 0 1 233.311 2.496 20 0 BEADMN CC/C=C\CNCc1c(Cl)cnn1C ZINC000394593166 323083112 /nfs/dbraw/zinc/08/31/12/323083112.db2.gz HHVGYCXXZYZSSM-PLNGDYQASA-N 0 1 213.712 2.129 20 0 BEADMN C[N@@H+](CCCCF)CCNC(=O)OC(C)(C)C ZINC000497195308 323083264 /nfs/dbraw/zinc/08/32/64/323083264.db2.gz HZQFIGDXCSJPMA-UHFFFAOYSA-N 0 1 248.342 2.193 20 0 BEADMN CN(Cc1ccncc1Cl)C1CCOCC1 ZINC000531343917 323087657 /nfs/dbraw/zinc/08/76/57/323087657.db2.gz OQMVBGBJGMWXCF-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C)[C@H]2CCCC[C@H]12 ZINC000531416541 323088982 /nfs/dbraw/zinc/08/89/82/323088982.db2.gz MKOWLUAPCGJCSV-UPJWGTAASA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1C[C@H](NCc2nnc3n2CCCCC3)[C@H]1C ZINC000494890250 323089088 /nfs/dbraw/zinc/08/90/88/323089088.db2.gz FIXMAXGAPBMSLB-WOPDTQHZSA-N 0 1 248.374 2.139 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000567856586 323093231 /nfs/dbraw/zinc/09/32/31/323093231.db2.gz MWTYEBGFGCQLAB-UONOGXRCSA-N 0 1 245.322 2.197 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)C[C@H]1CC ZINC000570957612 323101783 /nfs/dbraw/zinc/10/17/83/323101783.db2.gz DAJQTXLGGOPBPB-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1CC[C@H](CNc2ncnc3ccsc32)O1 ZINC000397935740 323101988 /nfs/dbraw/zinc/10/19/88/323101988.db2.gz HPUYGEHCZRJTGX-DTWKUNHWSA-N 0 1 249.339 2.093 20 0 BEADMN Cc1ccncc1C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000571062294 323106027 /nfs/dbraw/zinc/10/60/27/323106027.db2.gz PMNLRSWMMGASFA-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN CCC[N@@H+](CC)[C@@H](CC(C)C)C(=O)[O-] ZINC000563278299 323107601 /nfs/dbraw/zinc/10/76/01/323107601.db2.gz QCKYTGJYCOANRD-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@H](C)F ZINC000563282848 323108150 /nfs/dbraw/zinc/10/81/50/323108150.db2.gz KJWGATFXQBBJEE-JTQLQIEISA-N 0 1 219.300 2.167 20 0 BEADMN CCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563282259 323108213 /nfs/dbraw/zinc/10/82/13/323108213.db2.gz GPFMDTSSSALOPT-LBPRGKRZSA-N 0 1 221.300 2.024 20 0 BEADMN CC[N@@H+](CCCc1ccccc1C)CC(=O)[O-] ZINC000563283688 323108353 /nfs/dbraw/zinc/10/83/53/323108353.db2.gz ZDBRWJRYZJQOKI-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN CCCn1c(C)nnc1CN[C@@H]1CCC1(C)C ZINC000563364370 323120983 /nfs/dbraw/zinc/12/09/83/323120983.db2.gz HQQYRSVXQDDDQY-LLVKDONJSA-N 0 1 236.363 2.275 20 0 BEADMN FC(F)[C@H]1C[C@@H]1NCc1ccc2c(n1)CCC2 ZINC000571643574 323150698 /nfs/dbraw/zinc/15/06/98/323150698.db2.gz ZTZKWDVJYCCIEG-JQWIXIFHSA-N 0 1 238.281 2.314 20 0 BEADMN C[C@H](NC[C@H]1CCCC[C@H]1C)c1ncn(C)n1 ZINC000394887038 323152734 /nfs/dbraw/zinc/15/27/34/323152734.db2.gz RMWDFBOHTCCSEN-GRYCIOLGSA-N 0 1 236.363 2.292 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cnn(C)c1 ZINC000303393875 323159147 /nfs/dbraw/zinc/15/91/47/323159147.db2.gz MPTFYCQBIHPNDW-VHSXEESVSA-N 0 1 219.288 2.425 20 0 BEADMN C[C@@H](c1cccc2ccccc21)N(C)CC(N)=O ZINC000049236930 323159435 /nfs/dbraw/zinc/15/94/35/323159435.db2.gz BUMNCUXZMBQCRM-NSHDSACASA-N 0 1 242.322 2.318 20 0 BEADMN CCCOc1ccc(CN2CCN(C)CC2)cc1 ZINC000112139301 323165907 /nfs/dbraw/zinc/16/59/07/323165907.db2.gz NDZKXDBYEUZKGN-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2ccccc2C)[nH]1 ZINC000112702574 323171573 /nfs/dbraw/zinc/17/15/73/323171573.db2.gz PBTIZLALDZLSQJ-BQYQJAHWSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2ccccc2C)n1 ZINC000112702574 323171574 /nfs/dbraw/zinc/17/15/74/323171574.db2.gz PBTIZLALDZLSQJ-BQYQJAHWSA-N 0 1 242.282 2.073 20 0 BEADMN CO[C@H]1C[C@H]2C[C@@H](NC(CF)CF)C[C@H]2C1 ZINC000425370520 323173879 /nfs/dbraw/zinc/17/38/79/323173879.db2.gz OKLLOLCEPXHOER-QUTAIBBBSA-N 0 1 233.302 2.087 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000308841097 323179962 /nfs/dbraw/zinc/17/99/62/323179962.db2.gz KDLURBOFWRHOEL-DTWKUNHWSA-N 0 1 227.329 2.084 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(F)c1 ZINC000051531169 323189710 /nfs/dbraw/zinc/18/97/10/323189710.db2.gz SQYPNUIFUHVMJB-UHFFFAOYSA-N 0 1 224.279 2.106 20 0 BEADMN Cc1nnc(CNC2CC(C(C)C)C2)s1 ZINC000309015651 323189791 /nfs/dbraw/zinc/18/97/91/323189791.db2.gz UHVOBUFFTCVTBY-UHFFFAOYSA-N 0 1 225.361 2.371 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1ccc(F)cc1 ZINC000064300421 323194578 /nfs/dbraw/zinc/19/45/78/323194578.db2.gz NBOGSFOLJRSZEV-UHFFFAOYSA-N 0 1 233.246 2.134 20 0 BEADMN C[C@@H](C(N)=O)N(C)Cc1csc2ccccc12 ZINC000052805660 323195463 /nfs/dbraw/zinc/19/54/63/323195463.db2.gz WOCFZJQAVFFXGY-VIFPVBQESA-N 0 1 248.351 2.207 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2nncn2C)CC1 ZINC000114728884 323195882 /nfs/dbraw/zinc/19/58/82/323195882.db2.gz BEYSQPHKGJTQEK-LBPRGKRZSA-N 0 1 236.363 2.073 20 0 BEADMN C[C@@H]1CCN(Cc2cnnn2C)[C@@H]2CCCC[C@H]12 ZINC000536639896 323199153 /nfs/dbraw/zinc/19/91/53/323199153.db2.gz XZKXIWYBNLXAKW-MRVWCRGKSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000054298147 323204083 /nfs/dbraw/zinc/20/40/83/323204083.db2.gz BRPKGPNCOVXGES-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN Cn1ccnc1CN(C1CC1)C1CCCC1 ZINC000103466193 323250609 /nfs/dbraw/zinc/25/06/09/323250609.db2.gz XVQNVXGKMCPBFZ-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN C(Sc1nc(C2CC2)n[nH]1)[C@@H]1CCCOC1 ZINC000532709301 323291388 /nfs/dbraw/zinc/29/13/88/323291388.db2.gz DAVOZTMJOFELRA-MRVPVSSYSA-N 0 1 239.344 2.201 20 0 BEADMN C(Sc1n[nH]c(C2CC2)n1)[C@@H]1CCCOC1 ZINC000532709301 323291393 /nfs/dbraw/zinc/29/13/93/323291393.db2.gz DAVOZTMJOFELRA-MRVPVSSYSA-N 0 1 239.344 2.201 20 0 BEADMN C(Sc1nc(C2CC2)n[nH]1)[C@H]1CCCOC1 ZINC000532709302 323291502 /nfs/dbraw/zinc/29/15/02/323291502.db2.gz DAVOZTMJOFELRA-QMMMGPOBSA-N 0 1 239.344 2.201 20 0 BEADMN C(Sc1n[nH]c(C2CC2)n1)[C@H]1CCCOC1 ZINC000532709302 323291505 /nfs/dbraw/zinc/29/15/05/323291505.db2.gz DAVOZTMJOFELRA-QMMMGPOBSA-N 0 1 239.344 2.201 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000309134993 323319127 /nfs/dbraw/zinc/31/91/27/323319127.db2.gz CURHMBHPNODAEA-NEPJUHHUSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@@H]1CCN(c2ccccc2)C1=O ZINC000547768624 323345112 /nfs/dbraw/zinc/34/51/12/323345112.db2.gz GXZWZVUCQCLQNO-YRGRVCCFSA-N 0 1 244.338 2.275 20 0 BEADMN CO[C@H](CNCc1cscn1)CC(C)C ZINC000418104945 323349858 /nfs/dbraw/zinc/34/98/58/323349858.db2.gz VNHWKINEHMJHJL-NSHDSACASA-N 0 1 228.361 2.294 20 0 BEADMN CCOCCN[C@@H](C)c1ccncc1Cl ZINC000421820616 323632884 /nfs/dbraw/zinc/63/28/84/323632884.db2.gz NBCSLTQTZJKKCH-VIFPVBQESA-N 0 1 228.723 2.422 20 0 BEADMN Cc1ccc(CN[C@]23C[C@H]2COC3(C)C)o1 ZINC000527767045 323685141 /nfs/dbraw/zinc/68/51/41/323685141.db2.gz RVGCUGRAYGZBLU-GXFFZTMASA-N 0 1 221.300 2.245 20 0 BEADMN COC[C@@H](N[C@@H](C)c1ncccc1F)C1CC1 ZINC000528036659 323745160 /nfs/dbraw/zinc/74/51/60/323745160.db2.gz WXBVJGINQAQWHV-JOYOIKCWSA-N 0 1 238.306 2.296 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000528008345 323747805 /nfs/dbraw/zinc/74/78/05/323747805.db2.gz SEXTWXVTSMPSOD-DVWMECQTSA-N 0 1 249.358 2.290 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C/C=C\c1ccccc1 ZINC000229778635 487960595 /nfs/dbraw/zinc/96/05/95/487960595.db2.gz MLIZLQFAJTXOOH-HPFKKHKDSA-N 0 1 245.322 2.495 20 0 BEADMN CC(C)CCNC(=O)c1ccc(F)cc1O ZINC000123202899 324098559 /nfs/dbraw/zinc/09/85/59/324098559.db2.gz OKLYLKPLTPXDAX-UHFFFAOYSA-N 0 1 225.263 2.307 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)C[C@@H]1C ZINC000572490206 324129519 /nfs/dbraw/zinc/12/95/19/324129519.db2.gz WVZRVDXPKGKSKK-VHSXEESVSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(F)cc1F ZINC000063457263 324213503 /nfs/dbraw/zinc/21/35/03/324213503.db2.gz IADGJEWOCVOLGI-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H](C)[C@@H]2C[C@H]2C2CC2)n1 ZINC000529554609 324340739 /nfs/dbraw/zinc/34/07/39/324340739.db2.gz HRURZEIFXXZERG-VVJJBPBLSA-N 0 1 235.331 2.463 20 0 BEADMN Cc1nc(C)c(CN[C@@H]2C[C@]2(C)OC(C)C)o1 ZINC000529670411 324375760 /nfs/dbraw/zinc/37/57/60/324375760.db2.gz UJEVAWNHKUIYDI-OLZOCXBDSA-N 0 1 238.331 2.337 20 0 BEADMN Cc1cnc(CCN[C@H](C)c2cscn2)nc1 ZINC000540149972 324888015 /nfs/dbraw/zinc/88/80/15/324888015.db2.gz AZSRSWGIJILLJB-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCCC(=O)[O-] ZINC000071286364 325066396 /nfs/dbraw/zinc/06/63/96/325066396.db2.gz PRIKVAYLWAEIGR-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN COc1c(O)cccc1CN1CCC1(C)C ZINC000543703166 325101805 /nfs/dbraw/zinc/10/18/05/325101805.db2.gz PKWXCAKRZZWVIU-UHFFFAOYSA-N 0 1 221.300 2.385 20 0 BEADMN CCC1(CC)[C@H](NCc2ncc[nH]2)C[C@@H]1OC ZINC000131337991 325138409 /nfs/dbraw/zinc/13/84/09/325138409.db2.gz JTWIRCHOWZPNEC-MNOVXSKESA-N 0 1 237.347 2.093 20 0 BEADMN CCN(CC(=O)N(C)CC1CCCC1)C1CC1 ZINC000131658360 325174799 /nfs/dbraw/zinc/17/47/99/325174799.db2.gz RYYRHFWPNDQAJN-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](c1cnccn1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000545230456 325196852 /nfs/dbraw/zinc/19/68/52/325196852.db2.gz CLMKMWZEULOZBN-OUAUKWLOSA-N 0 1 237.372 2.363 20 0 BEADMN CCNC(=O)CN1CCC(CCC(C)C)CC1 ZINC000132574201 325226201 /nfs/dbraw/zinc/22/62/01/325226201.db2.gz KAXXHMALCPCGOR-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@H]1CN(c2ccncc2C(N)=O)CC(C)(C)C1 ZINC000546582823 325288385 /nfs/dbraw/zinc/28/83/85/325288385.db2.gz AHCJESZZWYSLDQ-SNVBAGLBSA-N 0 1 247.342 2.053 20 0 BEADMN CCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000075704503 325307529 /nfs/dbraw/zinc/30/75/29/325307529.db2.gz HAWPRZUKQADQPV-LBPRGKRZSA-N 0 1 209.289 2.281 20 0 BEADMN CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000075704507 325307538 /nfs/dbraw/zinc/30/75/38/325307538.db2.gz HAWPRZUKQADQPV-GFCCVEGCSA-N 0 1 209.289 2.281 20 0 BEADMN Cc1nc(CN2CCC[C@]2(C)CO)c(C)s1 ZINC000546809444 325312839 /nfs/dbraw/zinc/31/28/39/325312839.db2.gz PFLNFYGQDOJVJP-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000075842728 325317409 /nfs/dbraw/zinc/31/74/09/325317409.db2.gz QSWRCIPLJZVHOO-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@@]1(C)CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076145541 325333681 /nfs/dbraw/zinc/33/36/81/325333681.db2.gz ZPHRWOQMFIVWDU-OCCSQVGLSA-N 0 1 238.375 2.119 20 0 BEADMN CN(Cc1nc2ccccc2[nH]1)C1CCOCC1 ZINC000547506984 325366201 /nfs/dbraw/zinc/36/62/01/325366201.db2.gz BPBYMNOINMHUAJ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCCC[C@H](CC)CC(=O)N1CC(N(C)C)C1 ZINC000134938775 325383728 /nfs/dbraw/zinc/38/37/28/325383728.db2.gz YJYUUFITOLURTL-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CN(C)C1CN(C(=O)CC2(C)CCCCC2)C1 ZINC000135004996 325387974 /nfs/dbraw/zinc/38/79/74/325387974.db2.gz YAKDHKUZEDWQQA-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)N(C(=O)CN1[C@@H](C)C[C@@H]1C)C(C)C ZINC000547770455 325395420 /nfs/dbraw/zinc/39/54/20/325395420.db2.gz BSLINILKYOCGTF-RYUDHWBXSA-N 0 1 226.364 2.115 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)NC1CCCCCC1 ZINC000548752713 325477551 /nfs/dbraw/zinc/47/75/51/325477551.db2.gz BTFOVJNRUWFLRT-VXGBXAGGSA-N 0 1 238.375 2.308 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)N1[C@H](C)C[C@H]1C ZINC000548752721 325478190 /nfs/dbraw/zinc/47/81/90/325478190.db2.gz CNYUJIJOZKHEEX-UTUOFQBUSA-N 0 1 238.375 2.307 20 0 BEADMN O=C(Nc1ccccc1)[C@@H]1CCc2[nH]cnc2C1 ZINC000034385183 487968694 /nfs/dbraw/zinc/96/86/94/487968694.db2.gz WORGAZLRXIPDKZ-SNVBAGLBSA-N 0 1 241.294 2.153 20 0 BEADMN C[C@H](NCc1cc[nH]c1)C(=O)Nc1ccccc1 ZINC000086253675 325612283 /nfs/dbraw/zinc/61/22/83/325612283.db2.gz RIQCSMAJEUSBNM-NSHDSACASA-N 0 1 243.310 2.132 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NCC(F)(F)CO ZINC000248751266 325620150 /nfs/dbraw/zinc/62/01/50/325620150.db2.gz UCEGBWFGARVBQS-MYJAWHEDSA-N 0 1 221.291 2.028 20 0 BEADMN COC(=O)c1occc1CN(C)C(C)(C)C ZINC000566183639 326008187 /nfs/dbraw/zinc/00/81/87/326008187.db2.gz AUABYPHFLLVDEO-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN CC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000566368524 326036188 /nfs/dbraw/zinc/03/61/88/326036188.db2.gz WURDNEHHEOWJMJ-LPEHRKFASA-N 0 1 247.285 2.217 20 0 BEADMN CCc1ccccc1CC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000566357980 326036807 /nfs/dbraw/zinc/03/68/07/326036807.db2.gz BPVTWXUDFBWHJL-AWEZNQCLSA-N 0 1 247.338 2.198 20 0 BEADMN CCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000566431906 326046653 /nfs/dbraw/zinc/04/66/53/326046653.db2.gz RRYFGFFLGJDWLG-UHFFFAOYSA-N 0 1 233.189 2.161 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566443714 326048403 /nfs/dbraw/zinc/04/84/03/326048403.db2.gz AHDRAQYFDLNVDO-SNVBAGLBSA-N 0 1 237.347 2.235 20 0 BEADMN CC1=C[C@@H](C)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000566457463 326050647 /nfs/dbraw/zinc/05/06/47/326050647.db2.gz JGNAJGKHFDHAMI-ZYHUDNBSSA-N 0 1 247.342 2.013 20 0 BEADMN CC1=C[C@H](C)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000566457458 326050767 /nfs/dbraw/zinc/05/07/67/326050767.db2.gz JGNAJGKHFDHAMI-CMPLNLGQSA-N 0 1 247.342 2.013 20 0 BEADMN CC1=C[C@H](C)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000566457460 326050833 /nfs/dbraw/zinc/05/08/33/326050833.db2.gz JGNAJGKHFDHAMI-JQWIXIFHSA-N 0 1 247.342 2.013 20 0 BEADMN CO[C@H](Cn1c(C)nc2c1CCCC2)C1CC1 ZINC000400135121 487971467 /nfs/dbraw/zinc/97/14/67/487971467.db2.gz HWJDXOQHSHPRHC-CQSZACIVSA-N 0 1 234.343 2.495 20 0 BEADMN CC[C@H]1COCCN1CCc1ccncc1C ZINC000566675213 326072887 /nfs/dbraw/zinc/07/28/87/326072887.db2.gz HMTGRUJDVRCYEB-AWEZNQCLSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)C(F)(F)F ZINC000566683352 326074060 /nfs/dbraw/zinc/07/40/60/326074060.db2.gz AGCUXPGOWPPRLO-HTQZYQBOSA-N 0 1 241.253 2.370 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566688221 326074827 /nfs/dbraw/zinc/07/48/27/326074827.db2.gz XQDRMVVEUPEKBY-SNVBAGLBSA-N 0 1 237.347 2.139 20 0 BEADMN CN(Cc1nc(C2CC2)nn1C)C1(C)CCCC1 ZINC000566852581 326087743 /nfs/dbraw/zinc/08/77/43/326087743.db2.gz LKLYNAGPMHNQQP-UHFFFAOYSA-N 0 1 248.374 2.457 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1[C@@H](C(=O)[O-])c1cccnc1 ZINC000566920117 326094535 /nfs/dbraw/zinc/09/45/35/326094535.db2.gz HKOSNXBDNCQSSC-CMPLNLGQSA-N 0 1 248.326 2.328 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)CN(CC)C1CC1 ZINC000153616243 326103812 /nfs/dbraw/zinc/10/38/12/326103812.db2.gz ACLAQAWXLXBGBR-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)CN(CC)C1CC1 ZINC000153616423 326103879 /nfs/dbraw/zinc/10/38/79/326103879.db2.gz ACLAQAWXLXBGBR-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)[C@@H]1CCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000567059675 326109029 /nfs/dbraw/zinc/10/90/29/326109029.db2.gz DKQGJBYKBVECKR-YPMHNXCESA-N 0 1 249.358 2.235 20 0 BEADMN CCN(CCOC)Cc1c(C)nsc1C ZINC000567246570 326149157 /nfs/dbraw/zinc/14/91/57/326149157.db2.gz NVNANAULYDYOPH-UHFFFAOYSA-N 0 1 228.361 2.228 20 0 BEADMN CCCCCC(=O)N1CCN(C)C[C@H]1CC ZINC000567192525 326133262 /nfs/dbraw/zinc/13/32/62/326133262.db2.gz CUIHTCQBUWTNNJ-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CC1CCN(CCSc2nncs2)CC1 ZINC000154210130 326133904 /nfs/dbraw/zinc/13/39/04/326133904.db2.gz ZUFNLSBEHXLAKV-UHFFFAOYSA-N 0 1 243.401 2.362 20 0 BEADMN CC1(C)CCC[C@@H](Sc2c[nH]nn2)C1=O ZINC000567239478 326148968 /nfs/dbraw/zinc/14/89/68/326148968.db2.gz OGPUVDKNWCQFGE-SSDOTTSWSA-N 0 1 225.317 2.045 20 0 BEADMN COCCCCSc1nc(C2CC2)n[nH]1 ZINC000154539157 326149531 /nfs/dbraw/zinc/14/95/31/326149531.db2.gz GKXYRGCMBBXBEJ-UHFFFAOYSA-N 0 1 227.333 2.201 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)C[C@H](C)C2)n1C1CC1 ZINC000154669431 326156383 /nfs/dbraw/zinc/15/63/83/326156383.db2.gz AETQVEHKRMPTBT-QWRGUYRKSA-N 0 1 248.374 2.399 20 0 BEADMN CCC(O)(CC)C(C)(C)CNCc1cc[nH]n1 ZINC000567292211 326156832 /nfs/dbraw/zinc/15/68/32/326156832.db2.gz IQWIKMWICCDLEU-UHFFFAOYSA-N 0 1 239.363 2.077 20 0 BEADMN CCC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567397048 326183106 /nfs/dbraw/zinc/18/31/06/326183106.db2.gz KVYWBKKWPWALAJ-CHWSQXEVSA-N 0 1 233.311 2.197 20 0 BEADMN CCCC[C@@H](NC(=O)CN(C)C)C1CCC1 ZINC000155342801 326193272 /nfs/dbraw/zinc/19/32/72/326193272.db2.gz PQDRGOPKCNUPMJ-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CC1CCCC1 ZINC000155431770 326195881 /nfs/dbraw/zinc/19/58/81/326195881.db2.gz MCMRWYDCTIQNNO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC(C)=C(C)C2)[nH]1 ZINC000567474898 326200058 /nfs/dbraw/zinc/20/00/58/326200058.db2.gz VYYCMBFCQRUIPS-SNVBAGLBSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC(C)=C(C)C2)n1 ZINC000567474898 326200060 /nfs/dbraw/zinc/20/00/60/326200060.db2.gz VYYCMBFCQRUIPS-SNVBAGLBSA-N 0 1 248.330 2.442 20 0 BEADMN c1coc(-c2cc(CSc3c[nH]nn3)no2)c1 ZINC000155863076 326212935 /nfs/dbraw/zinc/21/29/35/326212935.db2.gz WETSYNJAZHNSSQ-UHFFFAOYSA-N 0 1 248.267 2.345 20 0 BEADMN CC(F)(F)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000567620213 326230671 /nfs/dbraw/zinc/23/06/71/326230671.db2.gz UQUFJQHQYCJMTL-SNVBAGLBSA-N 0 1 235.274 2.218 20 0 BEADMN CC[C@@H](C)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000567628334 326232695 /nfs/dbraw/zinc/23/26/95/326232695.db2.gz PTDAFIJYMXEVIG-ZJUUUORDSA-N 0 1 213.321 2.360 20 0 BEADMN CO[C@]1(C)C[C@@H](N(C)Cc2cnccn2)C1(C)C ZINC000568017216 326296604 /nfs/dbraw/zinc/29/66/04/326296604.db2.gz WVEGAEPLVAGBDA-TZMCWYRMSA-N 0 1 249.358 2.112 20 0 BEADMN CCc1nnc([C@H](C)N(CC)CC2CC2)o1 ZINC000157816235 326297151 /nfs/dbraw/zinc/29/71/51/326297151.db2.gz CGUBNQPZYPIYQV-VIFPVBQESA-N 0 1 223.320 2.425 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1O ZINC000157826712 326297615 /nfs/dbraw/zinc/29/76/15/326297615.db2.gz KMXAKNFHRUDCKC-GHMZBOCLSA-N 0 1 248.326 2.204 20 0 BEADMN CC[N@@H+](CC(C)C)[C@H](C(=O)[O-])c1cccnc1 ZINC000568059565 326301682 /nfs/dbraw/zinc/30/16/82/326301682.db2.gz FJNONYKHIHLROA-LBPRGKRZSA-N 0 1 236.315 2.185 20 0 BEADMN C[N@@H+](CC1CCCC1)[C@H](C(=O)[O-])c1cccnc1 ZINC000568060467 326302188 /nfs/dbraw/zinc/30/21/88/326302188.db2.gz DXMDEDCQKCRCTD-ZDUSSCGKSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H](C[N@@H+](CCc1ccccc1)C1CC1)C(=O)[O-] ZINC000568074803 326304787 /nfs/dbraw/zinc/30/47/87/326304787.db2.gz PUXUBSBDKMEZPF-GFCCVEGCSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)[C@@H](C)N1CC(C)C1 ZINC000568105467 326309005 /nfs/dbraw/zinc/30/90/05/326309005.db2.gz VIWAMKUGIQYMFU-WCQYABFASA-N 0 1 240.391 2.221 20 0 BEADMN Oc1cccc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000568114144 326309919 /nfs/dbraw/zinc/30/99/19/326309919.db2.gz MDXUFFOQFIOTPT-NSHDSACASA-N 0 1 243.253 2.206 20 0 BEADMN CCC1(CC)CN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000568213764 326326947 /nfs/dbraw/zinc/32/69/47/326326947.db2.gz HHVYJNIMEKKZAJ-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CCc1nc(C)c(CN(C)CC(C)(C)OC)o1 ZINC000568346594 326347086 /nfs/dbraw/zinc/34/70/86/326347086.db2.gz LZIGASIJXKDCTI-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN CCN(CC(=O)N(CC)[C@H](C)C(C)C)C1CC1 ZINC000568446529 326357070 /nfs/dbraw/zinc/35/70/70/326357070.db2.gz NXUDLQQIMJYKRJ-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN CCCN(CCC)Cc1cc(C(C)=O)no1 ZINC000568468262 326358081 /nfs/dbraw/zinc/35/80/81/326358081.db2.gz KQLMOXWHPVTRMI-UHFFFAOYSA-N 0 1 224.304 2.499 20 0 BEADMN COCC1(NCc2cccc(C)c2F)CC1 ZINC000568718258 326373429 /nfs/dbraw/zinc/37/34/29/326373429.db2.gz NAJLEKMKGPGNBK-UHFFFAOYSA-N 0 1 223.291 2.403 20 0 BEADMN CCCN(CCC)Cc1snnc1C ZINC000568832207 326378481 /nfs/dbraw/zinc/37/84/81/326378481.db2.gz YEELOJSLHGYXCR-UHFFFAOYSA-N 0 1 213.350 2.469 20 0 BEADMN CC1(CN2CC(CO)(c3ccccc3)C2)CC1 ZINC000568962041 326383609 /nfs/dbraw/zinc/38/36/09/326383609.db2.gz FKUGXKJMDNURGX-UHFFFAOYSA-N 0 1 231.339 2.032 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H](C)C(F)(F)F ZINC000569130013 326392279 /nfs/dbraw/zinc/39/22/79/326392279.db2.gz SINGJOWELXPHLW-QMMMGPOBSA-N 0 1 241.253 2.227 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1C ZINC000677176846 487972251 /nfs/dbraw/zinc/97/22/51/487972251.db2.gz RGTHJMXPDUXVDI-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN C[N@@H+](CCOCC(F)F)Cc1ccsc1 ZINC000682517456 487974795 /nfs/dbraw/zinc/97/47/95/487974795.db2.gz YOWNNTMZUUIPQX-UHFFFAOYSA-N 0 1 235.299 2.462 20 0 BEADMN CN(CCOCC(F)F)Cc1ccsc1 ZINC000682517456 487974798 /nfs/dbraw/zinc/97/47/98/487974798.db2.gz YOWNNTMZUUIPQX-UHFFFAOYSA-N 0 1 235.299 2.462 20 0 BEADMN COc1cc(C)ccc1CNCc1cc(C)n[nH]1 ZINC000675101117 487975632 /nfs/dbraw/zinc/97/56/32/487975632.db2.gz DAGJKCKWSZWIKG-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC(C)C1CN(C(=O)c2ccc(F)cc2O)C1 ZINC000677127624 487977071 /nfs/dbraw/zinc/97/70/71/487977071.db2.gz NREXGPFBMUORNP-UHFFFAOYSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@]12COC[C@@H]1CN(Cc1ccc(Cl)o1)C2 ZINC000668595533 487981234 /nfs/dbraw/zinc/98/12/34/487981234.db2.gz POHQUOXAQMMYNH-CABZTGNLSA-N 0 1 241.718 2.401 20 0 BEADMN CCC(C)(CC)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000672328518 487982429 /nfs/dbraw/zinc/98/24/29/487982429.db2.gz TZACQBJKCISIAG-MRVPVSSYSA-N 0 1 238.335 2.117 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000682071186 487985785 /nfs/dbraw/zinc/98/57/85/487985785.db2.gz CIBVLIAKVJYABU-GFCCVEGCSA-N 0 1 249.358 2.449 20 0 BEADMN COCCN1CC[C@H]1c1cccc(F)c1 ZINC000674012841 487993855 /nfs/dbraw/zinc/99/38/55/487993855.db2.gz FRKYNQARPSCMED-LBPRGKRZSA-N 0 1 209.264 2.219 20 0 BEADMN CC[N@@H+]1CCN([C@@H]2C=CCCC2)C[C@H]1C ZINC000677191048 487993998 /nfs/dbraw/zinc/99/39/98/487993998.db2.gz CEAUYOVUTLGBLB-CHWSQXEVSA-N 0 1 208.349 2.121 20 0 BEADMN Cc1nc(CNC2(CO)CCCCC2)cs1 ZINC000053096287 487994468 /nfs/dbraw/zinc/99/44/68/487994468.db2.gz FIZJWYVZPPQNIK-UHFFFAOYSA-N 0 1 240.372 2.236 20 0 BEADMN Cc1nc(CNC2(CO)CCCCC2)oc1C ZINC000053097419 487994525 /nfs/dbraw/zinc/99/45/25/487994525.db2.gz XMPRKLMMTKYGJR-UHFFFAOYSA-N 0 1 238.331 2.076 20 0 BEADMN CCc1ccccc1CN(CC)CC(=O)N(C)C ZINC000682082905 487995032 /nfs/dbraw/zinc/99/50/32/487995032.db2.gz CSNUIPCUXIWMJG-UHFFFAOYSA-N 0 1 248.370 2.159 20 0 BEADMN CC[N@@H+]1CCN([C@H]2C=CCCC2)C[C@H]1C ZINC000677191049 487995188 /nfs/dbraw/zinc/99/51/88/487995188.db2.gz CEAUYOVUTLGBLB-OLZOCXBDSA-N 0 1 208.349 2.121 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC000668604161 487997190 /nfs/dbraw/zinc/99/71/90/487997190.db2.gz QGFPUYGKSYELAQ-WCQYABFASA-N 0 1 248.374 2.239 20 0 BEADMN CCN(C#N)CCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000602917091 488002191 /nfs/dbraw/zinc/00/21/91/488002191.db2.gz RMDCKXNTZAXMLG-PHIMTYICSA-N 0 1 245.317 2.012 20 0 BEADMN CC(C)CCC[N@H+](CC(=O)[O-])CC1CC1 ZINC000165503573 488007781 /nfs/dbraw/zinc/00/77/81/488007781.db2.gz CYOFVAWJZFJYHG-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cn(C3CCC3)nn2)C1 ZINC000667472946 488018772 /nfs/dbraw/zinc/01/87/72/488018772.db2.gz XDXTYNKHWRUCLH-VXGBXAGGSA-N 0 1 248.374 2.481 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cn(C3CCC3)nn2)C1 ZINC000667472945 488018788 /nfs/dbraw/zinc/01/87/88/488018788.db2.gz XDXTYNKHWRUCLH-TXEJJXNPSA-N 0 1 248.374 2.481 20 0 BEADMN Cc1cccc2[nH]c(CN3CCC(O)CC3)cc21 ZINC000667479616 488022632 /nfs/dbraw/zinc/02/26/32/488022632.db2.gz LNWWCMGXDCARCB-UHFFFAOYSA-N 0 1 244.338 2.433 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CCOC2(C)C)s1 ZINC000391875660 488023793 /nfs/dbraw/zinc/02/37/93/488023793.db2.gz NCIQVZWGGIIBCJ-VXNVDRBHSA-N 0 1 241.360 2.065 20 0 BEADMN Cc1cnccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625983 488026877 /nfs/dbraw/zinc/02/68/77/488026877.db2.gz KOPLURPTECAJLW-OLZOCXBDSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@H]1CC[C@H](CN2CCOc3ccccc3C2)O1 ZINC000682754547 488029027 /nfs/dbraw/zinc/02/90/27/488029027.db2.gz CTABRGODGNVQDS-GXTWGEPZSA-N 0 1 247.338 2.449 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1cn(C2CCC2)nn1 ZINC000667499452 488030571 /nfs/dbraw/zinc/03/05/71/488030571.db2.gz KFZAUNMYXJGQKJ-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CC3(C2)CC(F)(F)C3)O1 ZINC000682767552 488034364 /nfs/dbraw/zinc/03/43/64/488034364.db2.gz ADCIVMBSQXCHGR-ZJUUUORDSA-N 0 1 231.286 2.285 20 0 BEADMN COc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000677424956 488034441 /nfs/dbraw/zinc/03/44/41/488034441.db2.gz FRSMUTHYZHMVDO-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000682777626 488037858 /nfs/dbraw/zinc/03/78/58/488037858.db2.gz ODMDGRXJJCNFHI-GMTAPVOTSA-N 0 1 237.347 2.498 20 0 BEADMN Cc1ncc(CN2C[C@H](C)S[C@@H](C)C2)n1C ZINC000667559558 488046699 /nfs/dbraw/zinc/04/66/99/488046699.db2.gz AVNLDNSLCFFNKX-UWVGGRQHSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000269459843 488051598 /nfs/dbraw/zinc/05/15/98/488051598.db2.gz XRHPPEJZIMHQRD-UYAIAHHASA-N 0 1 238.356 2.422 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000682852974 488053921 /nfs/dbraw/zinc/05/39/21/488053921.db2.gz KQUCLTBCBPFMLQ-RYUDHWBXSA-N 0 1 237.274 2.436 20 0 BEADMN c1c(CN2CCC[C@H]2C2CC2)nnn1C1CCC1 ZINC000667596966 488056559 /nfs/dbraw/zinc/05/65/59/488056559.db2.gz YGIALTBQNFRMLD-AWEZNQCLSA-N 0 1 246.358 2.378 20 0 BEADMN Cc1nc(CN2CCC3(CCC3)C2)[nH]c1C ZINC000628176923 488059856 /nfs/dbraw/zinc/05/98/56/488059856.db2.gz COCHCQJAWYXSHT-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN CN(Cc1ccnn1CC1CC1)C1CCC1 ZINC000667647182 488070532 /nfs/dbraw/zinc/07/05/32/488070532.db2.gz NORQMLXGGRSIJA-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN COc1cccc(CN[C@H]2CO[C@@H](C)C2)c1F ZINC000402184047 488072129 /nfs/dbraw/zinc/07/21/29/488072129.db2.gz BRFOLJKROPLSDT-GXSJLCMTSA-N 0 1 239.290 2.101 20 0 BEADMN CC[C@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)OC ZINC000396999900 488072151 /nfs/dbraw/zinc/07/21/51/488072151.db2.gz DWCXNHDWTNGQTH-CYBMUJFWSA-N 0 1 249.310 2.125 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000670084626 488072870 /nfs/dbraw/zinc/07/28/70/488072870.db2.gz DBTYDWUIKQLNLI-JTQLQIEISA-N 0 1 243.301 2.033 20 0 BEADMN Cc1ncccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000257639518 488075343 /nfs/dbraw/zinc/07/53/43/488075343.db2.gz BAYQJBXPNSKHKA-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C3CCC3)nn2)[C@@H]1C ZINC000667693248 488089450 /nfs/dbraw/zinc/08/94/50/488089450.db2.gz FZMNPPFXOXIWKY-GHMZBOCLSA-N 0 1 234.347 2.233 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361061 488091648 /nfs/dbraw/zinc/09/16/48/488091648.db2.gz JYFMQIGASNQXOX-VXGBXAGGSA-N 0 1 223.316 2.424 20 0 BEADMN CC[C@H]1CCN(Cc2cn(C3CCC3)nn2)C1 ZINC000667697412 488091549 /nfs/dbraw/zinc/09/15/49/488091549.db2.gz ZYDVLKSZONJCFJ-NSHDSACASA-N 0 1 234.347 2.235 20 0 BEADMN Cc1cnc(CN2CCC[C@H]2C2CC2)nc1 ZINC000677682103 488092177 /nfs/dbraw/zinc/09/21/77/488092177.db2.gz QPSRKTLEGVVURZ-LBPRGKRZSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1cccc(C[N@H+](CCC(=O)[O-])C(C)C)n1 ZINC000092430874 488095120 /nfs/dbraw/zinc/09/51/20/488095120.db2.gz XAXXLOJOIUUHTM-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1cccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])n1 ZINC000092430901 488095137 /nfs/dbraw/zinc/09/51/37/488095137.db2.gz SGHWCQMBSWEIMV-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1nn(C)cc1C[N@H+]1CCc2ccsc2C1 ZINC000127043744 488096928 /nfs/dbraw/zinc/09/69/28/488096928.db2.gz CRGULMVORFCVRR-UHFFFAOYSA-N 0 1 247.367 2.348 20 0 BEADMN Cc1nn(C)cc1CN1CCc2ccsc2C1 ZINC000127043744 488096933 /nfs/dbraw/zinc/09/69/33/488096933.db2.gz CRGULMVORFCVRR-UHFFFAOYSA-N 0 1 247.367 2.348 20 0 BEADMN COCC1(N(C)Cc2sc(C)nc2C)CC1 ZINC000677727810 488104483 /nfs/dbraw/zinc/10/44/83/488104483.db2.gz IBUBRPWBPPXKFN-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1c(Cl)c(CN2CC[C@@H]3C[C@@H]3C2)nn1C ZINC000668678793 488104779 /nfs/dbraw/zinc/10/47/79/488104779.db2.gz RLPWYHQYYSSVRX-NXEZZACHSA-N 0 1 239.750 2.224 20 0 BEADMN FC(F)[C@@H]1CCN(CCOCC(F)(F)F)C1 ZINC000677731234 488109739 /nfs/dbraw/zinc/10/97/39/488109739.db2.gz NPTMTTIHKOMHRR-SSDOTTSWSA-N 0 1 247.207 2.152 20 0 BEADMN CC(C)OC(=O)CC[C@@H](C)N1CC[C@@H](F)C1 ZINC001172755396 974927845 /nfs/dbraw/zinc/92/78/45/974927845.db2.gz PRFAHHHGEICLKJ-GHMZBOCLSA-N 0 1 231.311 2.151 20 0 BEADMN Cc1noc(C)c1CN1CC[C@@H](C(F)F)C1 ZINC000677731297 488110500 /nfs/dbraw/zinc/11/05/00/488110500.db2.gz GJMFQQJUANAVCR-SECBINFHSA-N 0 1 230.258 2.378 20 0 BEADMN FC(F)[C@H]1CCN(Cc2cccnc2)C1 ZINC000677731480 488110556 /nfs/dbraw/zinc/11/05/56/488110556.db2.gz SJQBCYRUTMJQPC-JTQLQIEISA-N 0 1 212.243 2.169 20 0 BEADMN C1CN[C@@H](c2noc(C3CCSCC3)n2)C1 ZINC000258430072 488116834 /nfs/dbraw/zinc/11/68/34/488116834.db2.gz GZAWTOSZOBXVGA-SECBINFHSA-N 0 1 239.344 2.105 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000677767455 488121257 /nfs/dbraw/zinc/12/12/57/488121257.db2.gz LFZSFMRZRCJBHN-JTQLQIEISA-N 0 1 237.347 2.407 20 0 BEADMN CC[C@@H](N[C@@H](CC)c1ccccc1F)C(N)=O ZINC000379185438 488121964 /nfs/dbraw/zinc/12/19/64/488121964.db2.gz RAGHMBJZNXOPOH-NWDGAFQWSA-N 0 1 238.306 2.130 20 0 BEADMN Cc1cnc(N[C@H](C)c2n[nH]c(C(C)C)n2)nc1 ZINC000677809589 488129053 /nfs/dbraw/zinc/12/90/53/488129053.db2.gz MWFDERGOUGNKRJ-SECBINFHSA-N 0 1 246.318 2.200 20 0 BEADMN C[C@H](O)C1(NCc2ccc(F)cc2Cl)CC1 ZINC000668698234 488129972 /nfs/dbraw/zinc/12/99/72/488129972.db2.gz XVKBYOAHCQVQEJ-QMMMGPOBSA-N 0 1 243.709 2.482 20 0 BEADMN C[C@@H](O)C1(NCc2ccc(F)c(F)c2F)CC1 ZINC000668699572 488131235 /nfs/dbraw/zinc/13/12/35/488131235.db2.gz FUAKZPHGKXEQGF-SSDOTTSWSA-N 0 1 245.244 2.107 20 0 BEADMN C[C@@H]1CN(Cc2cn(C3CCC3)nn2)[C@@H](C)[C@H]1C ZINC000668243333 487541491 /nfs/dbraw/zinc/54/14/91/487541491.db2.gz ZJPKLQYLAFTDRF-WOPDTQHZSA-N 0 1 248.374 2.479 20 0 BEADMN CCN(Cc1ccc(C)cc1)C(=O)[C@H](C)N(C)C ZINC000674285633 487545564 /nfs/dbraw/zinc/54/55/64/487545564.db2.gz PESMCIYTLOOGKY-ZDUSSCGKSA-N 0 1 248.370 2.294 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC=CCC1 ZINC000382521598 487545699 /nfs/dbraw/zinc/54/56/99/487545699.db2.gz AVGJYDHBWMPZNV-SECBINFHSA-N 0 1 221.256 2.301 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@H]1C(=O)[O-])C(C)(C)C ZINC000308833147 487547292 /nfs/dbraw/zinc/54/72/92/487547292.db2.gz UZACEJFWGGMEMP-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)CCCCC(=O)NCc1c[nH]nn1 ZINC000680206430 487547415 /nfs/dbraw/zinc/54/74/15/487547415.db2.gz HRDCYGDOTKYXHK-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN COC(C)(C)CN(C)Cc1oc(C)nc1C ZINC000685566841 487547978 /nfs/dbraw/zinc/54/79/78/487547978.db2.gz YPZZYWVYEVNDOP-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN C[C@@H](C(=O)NCC[C@@H]1CCCC[C@H]1C)N(C)C ZINC000674288390 487548349 /nfs/dbraw/zinc/54/83/49/487548349.db2.gz DOXFEJGMAKVOGS-AGIUHOORSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(C)C)CC2 ZINC000674287602 487548552 /nfs/dbraw/zinc/54/85/52/487548552.db2.gz IJBSIJRHOCLSJZ-SMDDNHRTSA-N 0 1 246.354 2.049 20 0 BEADMN Cc1ccc([C@@H](C)CNC(=O)[C@H](C)N(C)C)cc1 ZINC000674288420 487549658 /nfs/dbraw/zinc/54/96/58/487549658.db2.gz FLGNFUVZTLCZRK-STQMWFEESA-N 0 1 248.370 2.165 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000674288855 487549765 /nfs/dbraw/zinc/54/97/65/487549765.db2.gz NWIUCSDUNGITBH-CYZMBNFOSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000674288858 487549841 /nfs/dbraw/zinc/54/98/41/487549841.db2.gz NWIUCSDUNGITBH-WCFLWFBJSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](C(=O)NC1(C)CCC(F)(F)CC1)N(C)C ZINC000680238517 487552146 /nfs/dbraw/zinc/55/21/46/487552146.db2.gz OBUZTOCDWRZPED-VIFPVBQESA-N 0 1 248.317 2.021 20 0 BEADMN CCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC000680260443 487554170 /nfs/dbraw/zinc/55/41/70/487554170.db2.gz WUDUKQHDJTYNBO-UHFFFAOYSA-N 0 1 221.304 2.276 20 0 BEADMN CC(C)(C)CC[C@@H](CO)NCc1cscn1 ZINC000336697657 487555434 /nfs/dbraw/zinc/55/54/34/487555434.db2.gz ZGGSDSNHALNMIF-JTQLQIEISA-N 0 1 242.388 2.420 20 0 BEADMN Cc1cccc(C[N@H+](C)C2(CO)CC2)c1F ZINC000668797949 487555821 /nfs/dbraw/zinc/55/58/21/487555821.db2.gz IXBJCMPMSJQXIB-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1cccc(CN(C)C2(CO)CC2)c1F ZINC000668797949 487555828 /nfs/dbraw/zinc/55/58/28/487555828.db2.gz IXBJCMPMSJQXIB-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@H](O)[C@@H](NCC1(F)CC1)c1ccccc1 ZINC000668787505 487532674 /nfs/dbraw/zinc/53/26/74/487532674.db2.gz AZPZMGZTWZNVAD-ZYHUDNBSSA-N 0 1 223.291 2.200 20 0 BEADMN CCCn1cc(CN[C@H]2CCC[C@@H]2F)cn1 ZINC000339590605 487470834 /nfs/dbraw/zinc/47/08/34/487470834.db2.gz RNVGVJLLFHKGTD-RYUDHWBXSA-N 0 1 225.311 2.273 20 0 BEADMN CCCCNC(=O)CN[C@@H](C)c1ccsc1 ZINC000061362592 487472072 /nfs/dbraw/zinc/47/20/72/487472072.db2.gz UDLXNCWYAKLCBB-JTQLQIEISA-N 0 1 240.372 2.315 20 0 BEADMN CN(CCOc1ccccc1F)Cc1cn[nH]c1 ZINC000673927697 487482108 /nfs/dbraw/zinc/48/21/08/487482108.db2.gz MWIGIGFTTZPOAR-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN Cn1cc([C@H](NCc2cn[nH]c2)C(C)(C)C)cn1 ZINC000673932471 487484132 /nfs/dbraw/zinc/48/41/32/487484132.db2.gz WOPCCLMGUBYYOR-LBPRGKRZSA-N 0 1 247.346 2.020 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000668226247 487485873 /nfs/dbraw/zinc/48/58/73/487485873.db2.gz HMBZXTBGOMIVJK-YPMHNXCESA-N 0 1 248.326 2.209 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cn1 ZINC000405566526 487486419 /nfs/dbraw/zinc/48/64/19/487486419.db2.gz VIEVRNJLHJAVIE-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@@H]1C(=O)[O-] ZINC000380866546 487489069 /nfs/dbraw/zinc/48/90/69/487489069.db2.gz WURVNUCXPSRPDZ-WOPDTQHZSA-N 0 1 223.316 2.138 20 0 BEADMN CCCC[C@H](CC)CC(=O)NCc1c[nH]nn1 ZINC000673950447 487490113 /nfs/dbraw/zinc/49/01/13/487490113.db2.gz HVOLIYKAZPLSLK-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@H]1C(=O)[O-])C1CC1 ZINC000406055635 487498868 /nfs/dbraw/zinc/49/88/68/487498868.db2.gz KDPMNBYKPPLPKW-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN CCOCC[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000679422730 487504584 /nfs/dbraw/zinc/50/45/84/487504584.db2.gz AEAWIQNUUZXHIS-UHFFFAOYSA-N 0 1 233.315 2.031 20 0 BEADMN Cc1ncccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000381340236 487504878 /nfs/dbraw/zinc/50/48/78/487504878.db2.gz KJZNPJLYPAXNPT-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H](CO)C1)c1cscn1 ZINC000304608980 487512435 /nfs/dbraw/zinc/51/24/35/487512435.db2.gz NJUNCXDNLFWKJQ-AXFHLTTASA-N 0 1 240.372 2.345 20 0 BEADMN C[C@H](CNC(=O)c1ccc2cncn2c1)C1CC1 ZINC000670776527 487507512 /nfs/dbraw/zinc/50/75/12/487507512.db2.gz UUHLSKJYZUNYSM-SNVBAGLBSA-N 0 1 243.310 2.110 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]2C[C@@H]21 ZINC000672126207 487519685 /nfs/dbraw/zinc/51/96/85/487519685.db2.gz XYMHUFMKRIXEJA-SCZZXKLOSA-N 0 1 235.258 2.156 20 0 BEADMN CC1(C)CCC[N@H+](Cc2ncccc2[O-])C1 ZINC000685410940 487517082 /nfs/dbraw/zinc/51/70/82/487517082.db2.gz JOHRMUDQLLBIPG-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000685410940 487517086 /nfs/dbraw/zinc/51/70/86/487517086.db2.gz JOHRMUDQLLBIPG-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN COCC[N@@H+](CCCCC(=O)[O-])C1CCCC1 ZINC000680018668 487519166 /nfs/dbraw/zinc/51/91/66/487519166.db2.gz JTHXHFBJPKPZDD-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@H]2C[C@H]21 ZINC000672126208 487519493 /nfs/dbraw/zinc/51/94/93/487519493.db2.gz XYMHUFMKRIXEJA-WCBMZHEXSA-N 0 1 235.258 2.156 20 0 BEADMN COc1cccc(CN(C)C[C@@H](C)OC)c1F ZINC000685447656 487525717 /nfs/dbraw/zinc/52/57/17/487525717.db2.gz IOWOCPAABZURAG-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2coc(C)n2)C1(C)C ZINC000660701626 487523183 /nfs/dbraw/zinc/52/31/83/487523183.db2.gz UBKZBJOKMRHEOP-AAEUAGOBSA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@@H]1CN(Cc2oc(C)nc2C)CCCO1 ZINC000685581080 487558455 /nfs/dbraw/zinc/55/84/55/487558455.db2.gz WZQOLDRGWZCTLF-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000096630426 487654377 /nfs/dbraw/zinc/65/43/77/487654377.db2.gz FSRJRCBLJXFXPL-QWRGUYRKSA-N 0 1 211.305 2.116 20 0 BEADMN CCCC[C@H](CC)CNC(=O)[C@H](C)N(C)C ZINC000674244607 487717968 /nfs/dbraw/zinc/71/79/68/487717968.db2.gz IZPFYDLQABMIBU-RYUDHWBXSA-N 0 1 228.380 2.269 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCCC2(C)C)n[nH]1 ZINC000681275372 487767382 /nfs/dbraw/zinc/76/73/82/487767382.db2.gz BHXXMBOMJLLORZ-NSHDSACASA-N 0 1 235.331 2.161 20 0 BEADMN c1n[nH]cc1CN1CC[C@H]1c1ccccc1 ZINC000676414267 487849831 /nfs/dbraw/zinc/84/98/31/487849831.db2.gz REVPBCNZYZJVGW-ZDUSSCGKSA-N 0 1 213.284 2.357 20 0 BEADMN c1ccc2c(c1)C[C@H]2c1nc([C@H]2CCCN2)no1 ZINC000090986711 488016834 /nfs/dbraw/zinc/01/68/34/488016834.db2.gz ISMZDQCCBOCYMJ-VXGBXAGGSA-N 0 1 241.294 2.182 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cnco1 ZINC000682955776 488072630 /nfs/dbraw/zinc/07/26/30/488072630.db2.gz IPUIUCCUPDWRAB-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC[C@H](COCC1CC1)NCc1cscn1 ZINC000657561725 488135500 /nfs/dbraw/zinc/13/55/00/488135500.db2.gz SFEFAGMSZIMAPO-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667872501 488144885 /nfs/dbraw/zinc/14/48/85/488144885.db2.gz BISMWLZEZMCDRV-UONOGXRCSA-N 0 1 249.358 2.121 20 0 BEADMN CC1(C)CCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000294305730 488147818 /nfs/dbraw/zinc/14/78/18/488147818.db2.gz XGFLMRNPTYLNSQ-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc(C)c1 ZINC000379786295 488151831 /nfs/dbraw/zinc/15/18/31/488151831.db2.gz HYAMQAZSMCOPRR-JTQLQIEISA-N 0 1 227.329 2.352 20 0 BEADMN COc1nccnc1CN(CCC(C)C)C1CC1 ZINC000294535349 488154233 /nfs/dbraw/zinc/15/42/33/488154233.db2.gz HRMHPCQLRBCBJD-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1cccc2nc(CNc3cnccn3)[nH]c21 ZINC000677955067 488164701 /nfs/dbraw/zinc/16/47/01/488164701.db2.gz OJQSXMRFGFMRGG-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1sccc1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000390628621 488171118 /nfs/dbraw/zinc/17/11/18/488171118.db2.gz IAMRWHGZOOEOFG-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCCC3(CC3)C2)n[nH]1 ZINC000668733113 488174284 /nfs/dbraw/zinc/17/42/84/488174284.db2.gz QHDPPHAETZGBHZ-NSHDSACASA-N 0 1 247.342 2.305 20 0 BEADMN CCN(CCCO)Cc1ccc(F)cc1F ZINC000136308702 488178868 /nfs/dbraw/zinc/17/88/68/488178868.db2.gz AXQLVJQLQTVPNS-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000167600300 488180534 /nfs/dbraw/zinc/18/05/34/488180534.db2.gz JJWVYSDGDJARCW-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC1=CCCC1 ZINC000401101944 488181248 /nfs/dbraw/zinc/18/12/48/488181248.db2.gz FTALZZWBUZDIGF-SNVBAGLBSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)n1 ZINC000678045599 488182391 /nfs/dbraw/zinc/18/23/91/488182391.db2.gz HWOMWFOTEYRSOM-BBBLOLIVSA-N 0 1 223.320 2.417 20 0 BEADMN CC(C)(C)C(C)(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627372173 488182512 /nfs/dbraw/zinc/18/25/12/488182512.db2.gz FGESKDIBDRGUHV-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C)[C@H](C)C2)n1 ZINC000678045598 488182598 /nfs/dbraw/zinc/18/25/98/488182598.db2.gz HWOMWFOTEYRSOM-AEJSXWLSSA-N 0 1 223.320 2.417 20 0 BEADMN Cc1nsc(NC[C@@H]2CCN2C(C)(C)C)n1 ZINC000664143190 488185914 /nfs/dbraw/zinc/18/59/14/488185914.db2.gz SYSHKIYNEZGCIP-VIFPVBQESA-N 0 1 240.376 2.131 20 0 BEADMN C[C@H](NC[C@@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000453313839 488188500 /nfs/dbraw/zinc/18/85/00/488188500.db2.gz DKDPWESICLTHIN-IUCAKERBSA-N 0 1 229.274 2.496 20 0 BEADMN C[C@H](C[N@@H+](C)CCC(=O)[O-])C(C)(C)C ZINC000308515878 488205804 /nfs/dbraw/zinc/20/58/04/488205804.db2.gz FGQVLAGYUPZTDC-SECBINFHSA-N 0 1 201.310 2.075 20 0 BEADMN CCN(Cc1cn[nH]c1)Cc1ccc(OC)cc1 ZINC000678142063 488206049 /nfs/dbraw/zinc/20/60/49/488206049.db2.gz KLADDVLJDRQREL-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000678184169 488214861 /nfs/dbraw/zinc/21/48/61/488214861.db2.gz BBUSYHWHAFQLNV-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN COCC1(CN[C@H](C)c2csnn2)CCC1 ZINC000398239909 488215580 /nfs/dbraw/zinc/21/55/80/488215580.db2.gz OFILNVTVFJECKB-SECBINFHSA-N 0 1 241.360 2.005 20 0 BEADMN Cn1ccc(CN2CCOc3ccccc3C2)c1 ZINC000678195679 488216189 /nfs/dbraw/zinc/21/61/89/488216189.db2.gz FUSMHUMKQCYQON-UHFFFAOYSA-N 0 1 242.322 2.420 20 0 BEADMN OC[C@@H]1CCCN1Cc1cscc1Cl ZINC000678210936 488216851 /nfs/dbraw/zinc/21/68/51/488216851.db2.gz FGYIDUORSRVGNF-VIFPVBQESA-N 0 1 231.748 2.358 20 0 BEADMN Cc1cnc(CN[C@H](C)Cc2ccc(O)cc2)o1 ZINC000231637911 488217276 /nfs/dbraw/zinc/21/72/76/488217276.db2.gz ZASBSHWSPRWOOU-SNVBAGLBSA-N 0 1 246.310 2.409 20 0 BEADMN c1n[nH]cc1CN1CCC(c2ccccn2)CC1 ZINC000678213085 488218212 /nfs/dbraw/zinc/21/82/12/488218212.db2.gz UYCMBLQHDUKSEZ-UHFFFAOYSA-N 0 1 242.326 2.184 20 0 BEADMN CC1(CNc2cnn(-c3ccncc3)c2)CC1 ZINC000683769292 488218360 /nfs/dbraw/zinc/21/83/60/488218360.db2.gz IUQDZUCRSXSRJA-UHFFFAOYSA-N 0 1 228.299 2.479 20 0 BEADMN CC[C@H]1CCN1Cc1c(C2CC2)cnn1C ZINC000668189751 488219010 /nfs/dbraw/zinc/21/90/10/488219010.db2.gz NSZSMUVTJTYBIS-NSHDSACASA-N 0 1 219.332 2.282 20 0 BEADMN Cc1cnc(CN[C@H]2CCOC3(CCC3)C2)o1 ZINC000231653813 488220257 /nfs/dbraw/zinc/22/02/57/488220257.db2.gz LZTBEFKYKMYSEQ-NSHDSACASA-N 0 1 236.315 2.174 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC1CCC1 ZINC000398564098 488220527 /nfs/dbraw/zinc/22/05/27/488220527.db2.gz FLZGOQRASBCRPS-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](NCCC1CCC1)c1csnn1 ZINC000398709471 488222739 /nfs/dbraw/zinc/22/27/39/488222739.db2.gz WMUIAKTUPNJVDH-MRVPVSSYSA-N 0 1 211.334 2.379 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)N(C)C ZINC000078750669 488225335 /nfs/dbraw/zinc/22/53/35/488225335.db2.gz LKGBORHQFCJRAX-WCFLWFBJSA-N 0 1 238.375 2.022 20 0 BEADMN CCN1CCN(Cc2ccc(C)o2)C[C@H]1C ZINC000678261732 488228804 /nfs/dbraw/zinc/22/88/04/488228804.db2.gz QCQBQHHWIILAKH-LLVKDONJSA-N 0 1 222.332 2.114 20 0 BEADMN OCCCN(Cc1ccc(Cl)o1)C1CC1 ZINC000678263559 488229346 /nfs/dbraw/zinc/22/93/46/488229346.db2.gz KYGBDCFDPSKSRK-UHFFFAOYSA-N 0 1 229.707 2.280 20 0 BEADMN CCc1ncc(CN(CCCO)C2CC2)s1 ZINC000678263158 488229373 /nfs/dbraw/zinc/22/93/73/488229373.db2.gz DKSMFNBSILNDGH-UHFFFAOYSA-N 0 1 240.372 2.052 20 0 BEADMN COc1ccsc1CN(CCCO)C1CC1 ZINC000678263605 488229669 /nfs/dbraw/zinc/22/96/69/488229669.db2.gz LNJSXKDYUCZATI-UHFFFAOYSA-N 0 1 241.356 2.104 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@@H]2CCCCO2)o1 ZINC000683898167 488234313 /nfs/dbraw/zinc/23/43/13/488234313.db2.gz FYRHEQCADNMMGD-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN Cc1ccc(CN2CCCOC[C@@H]2C)o1 ZINC000678275189 488234507 /nfs/dbraw/zinc/23/45/07/488234507.db2.gz VAZSPUHCJPXCQU-JTQLQIEISA-N 0 1 209.289 2.199 20 0 BEADMN c1cc(CN2CCc3cn[nH]c3C2)cs1 ZINC000678275869 488235305 /nfs/dbraw/zinc/23/53/05/488235305.db2.gz IBYQXXGTOXMLDP-UHFFFAOYSA-N 0 1 219.313 2.030 20 0 BEADMN C[C@]1(O)CCN(Cc2cscc2Cl)C1 ZINC000678295256 488238161 /nfs/dbraw/zinc/23/81/61/488238161.db2.gz PJMHFEZXKVVOAU-JTQLQIEISA-N 0 1 231.748 2.358 20 0 BEADMN c1n[nH]cc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000678282003 488236265 /nfs/dbraw/zinc/23/62/65/488236265.db2.gz LEKKNSUDTVIVLP-VXGBXAGGSA-N 0 1 237.372 2.270 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@@H]2C[C@@H]21 ZINC000672129668 488238943 /nfs/dbraw/zinc/23/89/43/488238943.db2.gz ZOCCNSXWNUJRTL-SKDRFNHKSA-N 0 1 241.294 2.187 20 0 BEADMN COc1cc(F)cc(CNCc2cc(C)[nH]n2)c1 ZINC000678303134 488239172 /nfs/dbraw/zinc/23/91/72/488239172.db2.gz PCFKRONNNLRZQF-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN COc1cc(F)cc(CNCc2cc(C)n[nH]2)c1 ZINC000678303134 488239174 /nfs/dbraw/zinc/23/91/74/488239174.db2.gz PCFKRONNNLRZQF-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN COC(C)(C)C[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000678337293 488241974 /nfs/dbraw/zinc/24/19/74/488241974.db2.gz TVVSLGDZOFVRKC-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000678337293 488241977 /nfs/dbraw/zinc/24/19/77/488241977.db2.gz TVVSLGDZOFVRKC-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(CC)C[C@@H]1C ZINC000672189537 488243625 /nfs/dbraw/zinc/24/36/25/488243625.db2.gz VVGHCJDWPARKEQ-WHGQRRHOSA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnccc2C)[nH]n1 ZINC000678362448 488246438 /nfs/dbraw/zinc/24/64/38/488246438.db2.gz YMSPCKHUPMDXSQ-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnccc2C)n[nH]1 ZINC000678362448 488246440 /nfs/dbraw/zinc/24/64/40/488246440.db2.gz YMSPCKHUPMDXSQ-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN CCN1CCN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC000678465316 488257726 /nfs/dbraw/zinc/25/77/26/488257726.db2.gz ZGLWIASBHOUTEE-PWSUYJOCSA-N 0 1 237.347 2.070 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@@H](CCO)C2)o1 ZINC000678463529 488257777 /nfs/dbraw/zinc/25/77/77/488257777.db2.gz VRLGOGIWQJFEQJ-NEPJUHHUSA-N 0 1 238.331 2.138 20 0 BEADMN CCN(C)Cc1c(C)cc(C)nc1OC ZINC000672537779 488258646 /nfs/dbraw/zinc/25/86/46/488258646.db2.gz KGQLDHNOGRPXMM-UHFFFAOYSA-N 0 1 208.305 2.159 20 0 BEADMN FC1(F)CC2(CN(CCOC3CCC3)C2)C1 ZINC000672551986 488259393 /nfs/dbraw/zinc/25/93/93/488259393.db2.gz GYFIGQCCFAHYDS-UHFFFAOYSA-N 0 1 231.286 2.287 20 0 BEADMN C[C@H]1CCN(CCOC2CCC2)C[C@@H]1F ZINC000672553007 488259805 /nfs/dbraw/zinc/25/98/05/488259805.db2.gz QHPCKLRLGIFGSD-JQWIXIFHSA-N 0 1 215.312 2.235 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cn2cccc(C)c2n1 ZINC000678591222 488269369 /nfs/dbraw/zinc/26/93/69/488269369.db2.gz JQNIUPUTIGEMQZ-NWDGAFQWSA-N 0 1 247.342 2.156 20 0 BEADMN CC(C)[C@H](CC(F)(F)F)NCc1cn(C)cn1 ZINC000673607221 488297431 /nfs/dbraw/zinc/29/74/31/488297431.db2.gz HVQLFIKXNWYQCT-JTQLQIEISA-N 0 1 249.280 2.487 20 0 BEADMN Cc1noc(C)c1CCN1CC=CCC1 ZINC000679322907 488336497 /nfs/dbraw/zinc/33/64/97/488336497.db2.gz COBCWQACELTUAZ-UHFFFAOYSA-N 0 1 206.289 2.096 20 0 BEADMN CC[C@@H](C)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673731406 488306235 /nfs/dbraw/zinc/30/62/35/488306235.db2.gz WGWLQVPPUYFFLX-RXMQYKEDSA-N 0 1 249.236 2.265 20 0 BEADMN C=Cn1cc(CN2CC(C(C)C)C2)cn1 ZINC000684409468 488308397 /nfs/dbraw/zinc/30/83/97/488308397.db2.gz WECUZKQDNDOEHN-UHFFFAOYSA-N 0 1 205.305 2.071 20 0 BEADMN CCCCOCCN1CC[C@H](C)[C@H](F)C1 ZINC000679221745 488319693 /nfs/dbraw/zinc/31/96/93/488319693.db2.gz LUDMFGBQFOHQKM-NWDGAFQWSA-N 0 1 217.328 2.483 20 0 BEADMN CCCCOCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000679221744 488320133 /nfs/dbraw/zinc/32/01/33/488320133.db2.gz LUDMFGBQFOHQKM-NEPJUHHUSA-N 0 1 217.328 2.483 20 0 BEADMN C[C@H]1CCN(CCc2ccccn2)C[C@H]1F ZINC000679227976 488322486 /nfs/dbraw/zinc/32/24/86/488322486.db2.gz UMHIZVSQCMODPY-WCQYABFASA-N 0 1 222.307 2.304 20 0 BEADMN COCCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000684570655 488328176 /nfs/dbraw/zinc/32/81/76/488328176.db2.gz XAVZFHZMPBRYOM-UHFFFAOYSA-N 0 1 232.283 2.023 20 0 BEADMN C[C@@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)N(C)C ZINC000684756120 488339948 /nfs/dbraw/zinc/33/99/48/488339948.db2.gz BZNHJRHWAQWCMQ-NDBYEHHHSA-N 0 1 240.391 2.125 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)nc1 ZINC000679334210 488341267 /nfs/dbraw/zinc/34/12/67/488341267.db2.gz KYYRCLSYCKJJPN-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(F)cn1 ZINC000679339945 488341774 /nfs/dbraw/zinc/34/17/74/488341774.db2.gz GPFJCIKNDIMUSD-LBPRGKRZSA-N 0 1 248.305 2.493 20 0 BEADMN CCCc1cc(C(=O)N2CCC=C(C)C2)n[nH]1 ZINC000684800841 488343396 /nfs/dbraw/zinc/34/33/96/488343396.db2.gz LVDWURBVBSNHOS-UHFFFAOYSA-N 0 1 233.315 2.154 20 0 BEADMN CC(C)n1cc(CN2CC=CCC2)cn1 ZINC000679357291 488344045 /nfs/dbraw/zinc/34/40/45/488344045.db2.gz CLFVZSSCPNORGB-UHFFFAOYSA-N 0 1 205.305 2.226 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCSC2)sn1 ZINC000684836071 488347531 /nfs/dbraw/zinc/34/75/31/488347531.db2.gz PZLWBPCVBPONPB-SECBINFHSA-N 0 1 228.386 2.389 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)CCc1cnc[nH]1 ZINC000457293242 490117284 /nfs/dbraw/zinc/11/72/84/490117284.db2.gz PVNMDLRMNYAHJL-SMDDNHRTSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)c1ccn[nH]1 ZINC000047991522 490169397 /nfs/dbraw/zinc/16/93/97/490169397.db2.gz RDSYCCLPLVCMAT-SNVBAGLBSA-N 0 1 229.283 2.243 20 0 BEADMN CC(C)CC[N@@H+](Cc1cc[nH]n1)C1CC1 ZINC000129833081 490172638 /nfs/dbraw/zinc/17/26/38/490172638.db2.gz KYXPMDMUWPGEGM-UHFFFAOYSA-N 0 1 207.321 2.420 20 0 BEADMN CC(C)CCN(Cc1cc[nH]n1)C1CC1 ZINC000129833081 490172640 /nfs/dbraw/zinc/17/26/40/490172640.db2.gz KYXPMDMUWPGEGM-UHFFFAOYSA-N 0 1 207.321 2.420 20 0 BEADMN CC[C@@H](CNC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078659296 490212306 /nfs/dbraw/zinc/21/23/06/490212306.db2.gz YUAIJXXNKDNBCG-STQMWFEESA-N 0 1 248.370 2.247 20 0 BEADMN C[C@@H](C(=O)N1CC[C@@H](C)c2ccccc21)N(C)C ZINC000078690059 490217054 /nfs/dbraw/zinc/21/70/54/490217054.db2.gz AZYJZSKMRBBTFA-NEPJUHHUSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1cccc([C@@H](C)NC(=O)[C@H](C)N(C)C)c1C ZINC000078744561 490225013 /nfs/dbraw/zinc/22/50/13/490225013.db2.gz PLTFEEQZGQJLKD-OLZOCXBDSA-N 0 1 248.370 2.431 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000216612764 490285590 /nfs/dbraw/zinc/28/55/90/490285590.db2.gz QBXBXUOHKNIFPS-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000328508824 490298008 /nfs/dbraw/zinc/29/80/08/490298008.db2.gz MPHQFCSGWMKSCP-QWHCGFSZSA-N 0 1 233.359 2.217 20 0 BEADMN COc1nccnc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000294595994 490313302 /nfs/dbraw/zinc/31/33/02/490313302.db2.gz SVPLNQNKWSOTND-RYUDHWBXSA-N 0 1 249.358 2.496 20 0 BEADMN C[C@H](Sc1c[nH]nn1)c1ccncc1 ZINC000675111151 490409779 /nfs/dbraw/zinc/40/97/79/490409779.db2.gz YKMUSSDTCWGSPY-ZETCQYMHSA-N 0 1 206.274 2.053 20 0 BEADMN Cc1cnc(CN[C@H]2CCCSC2)s1 ZINC000128301599 490522002 /nfs/dbraw/zinc/52/20/02/490522002.db2.gz XCAOBTOBBXNCEY-VIFPVBQESA-N 0 1 228.386 2.437 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(O)cc1 ZINC000131418377 490636442 /nfs/dbraw/zinc/63/64/42/490636442.db2.gz GCXSVIYZVDIKPG-YPMHNXCESA-N 0 1 235.327 2.392 20 0 BEADMN Cc1cc(OCc2cn(C(C)C)nn2)cc(C)n1 ZINC000582582448 491066719 /nfs/dbraw/zinc/06/67/19/491066719.db2.gz GBRWTPRXYAAJDI-UHFFFAOYSA-N 0 1 246.314 2.450 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000054069906 491068264 /nfs/dbraw/zinc/06/82/64/491068264.db2.gz DCOKDKVZROALDY-LAHYYIKRSA-N 0 1 219.284 2.105 20 0 BEADMN CCCN1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659836033 491079282 /nfs/dbraw/zinc/07/92/82/491079282.db2.gz STSHTBNYQMUBCQ-UHFFFAOYSA-N 0 1 249.358 2.080 20 0 BEADMN C[C@@H]1CC[C@]2(CC[N@@H+](CC3(C(=O)[O-])CC3)C2)C1 ZINC000652442979 491085193 /nfs/dbraw/zinc/08/51/93/491085193.db2.gz DZNWFINJTFSUJT-YPMHNXCESA-N 0 1 237.343 2.363 20 0 BEADMN COC[C@H](NCCSC)c1ccc(C)o1 ZINC000184651328 491086640 /nfs/dbraw/zinc/08/66/40/491086640.db2.gz HEKLHOBTCQBKFI-JTQLQIEISA-N 0 1 229.345 2.228 20 0 BEADMN CC1(O)CN(Cc2cccc3ccccc32)C1 ZINC000089647081 491117029 /nfs/dbraw/zinc/11/70/29/491117029.db2.gz CXQMRILVZGJJFN-UHFFFAOYSA-N 0 1 227.307 2.406 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccnn2C)s1 ZINC000090402466 491125871 /nfs/dbraw/zinc/12/58/71/491125871.db2.gz XASLQCSUBAXCRD-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086756909 491126943 /nfs/dbraw/zinc/12/69/43/491126943.db2.gz BTZGWJGYEJEKJA-NWDGAFQWSA-N 0 1 248.326 2.329 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC1CC(O)C1 ZINC000091499373 491130992 /nfs/dbraw/zinc/13/09/92/491130992.db2.gz XQZNNVCNDXOENS-UHFFFAOYSA-N 0 1 246.310 2.031 20 0 BEADMN Cc1cscc1CNCc1cn[nH]c1 ZINC000308698473 491137762 /nfs/dbraw/zinc/13/77/62/491137762.db2.gz UYCSVQDXVOARSQ-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN Cc1noc([C@H](C)NCC2(C)CCC2)n1 ZINC000309011743 491142344 /nfs/dbraw/zinc/14/23/44/491142344.db2.gz SCEJLQAJJMLHGU-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1csc(CN[C@H](C)[C@@H]2CCCCO2)n1 ZINC000309772889 491156153 /nfs/dbraw/zinc/15/61/53/491156153.db2.gz KYNOCEATPCPXAO-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN Cn1cnc(CN[C@H]2CCc3ccccc32)c1 ZINC000310387409 491161280 /nfs/dbraw/zinc/16/12/80/491161280.db2.gz ICGXKHJPPZQNGE-AWEZNQCLSA-N 0 1 227.311 2.197 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)[C@@H](C)CO1 ZINC000844391201 582580624 /nfs/dbraw/zinc/58/06/24/582580624.db2.gz NWIKZEOZTJCVOL-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C(C)C ZINC000172578181 535498602 /nfs/dbraw/zinc/49/86/02/535498602.db2.gz SXBCLSXCWCBVMW-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)CCCC(=O)[O-] ZINC000086437862 535509040 /nfs/dbraw/zinc/50/90/40/535509040.db2.gz DSINLSBWNKTKCD-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN CCC[C@H](C)CN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000342936463 535612571 /nfs/dbraw/zinc/61/25/71/535612571.db2.gz VJVPCQLQPYTKHQ-OXIQGZBJSA-N 0 1 231.405 2.264 20 0 BEADMN CCC[C@H](NCc1cncn1C)c1ccccn1 ZINC000356926070 517611390 /nfs/dbraw/zinc/61/13/90/517611390.db2.gz TUSNMYBMCNTJMK-ZDUSSCGKSA-N 0 1 244.342 2.446 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC3(CCC3)C2)C1 ZINC000121835575 582770644 /nfs/dbraw/zinc/77/06/44/582770644.db2.gz PZPHRJYJKUNWNL-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN CC(=O)c1cccc(CN2CCOC[C@H](C)C2)c1 ZINC000336193344 534888522 /nfs/dbraw/zinc/88/85/22/534888522.db2.gz PMAPAUZNQTVZIH-GFCCVEGCSA-N 0 1 247.338 2.358 20 0 BEADMN CC(=O)c1cccc(CN2C[C@H](C)C[C@H](O)C2)c1 ZINC000335589613 534888577 /nfs/dbraw/zinc/88/85/77/534888577.db2.gz LIZIGJIIVNKDEP-ABAIWWIYSA-N 0 1 247.338 2.092 20 0 BEADMN CC=C(C=CC(=O)N[C@H](C)c1n[nH]c(C)n1)CC ZINC000493842254 527563390 /nfs/dbraw/zinc/56/33/90/527563390.db2.gz HAGFJWWQVMWTLX-AOINDYBDSA-N 0 1 248.330 2.203 20 0 BEADMN CC=CC=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000492623046 527614169 /nfs/dbraw/zinc/61/41/69/527614169.db2.gz KUULKOQARKZJQC-HOJFPOIOSA-N 0 1 232.287 2.143 20 0 BEADMN CC=CC=CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000492623046 527614173 /nfs/dbraw/zinc/61/41/73/527614173.db2.gz KUULKOQARKZJQC-HOJFPOIOSA-N 0 1 232.287 2.143 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)/C=C/C(C)(C)C ZINC000493362852 527789112 /nfs/dbraw/zinc/78/91/12/527789112.db2.gz BSFYBOVCCDIIMB-ABZNLYFFSA-N 0 1 238.375 2.189 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1C[C@@H]1C[C@@H]1C ZINC000488328907 527821876 /nfs/dbraw/zinc/82/18/76/527821876.db2.gz IHGKOUOWBSDGRL-SRVKXCTJSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)C[C@H]1CCSC1 ZINC000494976249 527858110 /nfs/dbraw/zinc/85/81/10/527858110.db2.gz PVTODJDVYNYZFA-WDEREUQCSA-N 0 1 245.388 2.011 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)/C=C/C(C)(C)C ZINC000493362853 528405021 /nfs/dbraw/zinc/40/50/21/528405021.db2.gz BSFYBOVCCDIIMB-GUOLPTJISA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000496564340 528730935 /nfs/dbraw/zinc/73/09/35/528730935.db2.gz LJFXBKVUHZPAGJ-NSHDSACASA-N 0 1 242.363 2.194 20 0 BEADMN CCC(O)(CC)CCN[C@@H](C)c1nccn1C ZINC000471754878 528964337 /nfs/dbraw/zinc/96/43/37/528964337.db2.gz DVLIKZJQOKVSLP-NSHDSACASA-N 0 1 239.363 2.012 20 0 BEADMN CC1(C)CN(CN2CCC(C)(C)CC2)C(=O)O1 ZINC000494107264 529121221 /nfs/dbraw/zinc/12/12/21/529121221.db2.gz NJMVJKVGVXMULF-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CC[C@@H](O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000488339798 529233811 /nfs/dbraw/zinc/23/38/11/529233811.db2.gz XWKYCSZILBFDEM-SNVBAGLBSA-N 0 1 249.339 2.335 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1ncnn1CC ZINC000488164750 529249669 /nfs/dbraw/zinc/24/96/69/529249669.db2.gz KQWVKTQMECJVBT-MNOVXSKESA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000479502123 529256883 /nfs/dbraw/zinc/25/68/83/529256883.db2.gz KERUNQUTQGWMLR-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)OC1CCC1 ZINC000496516315 529289174 /nfs/dbraw/zinc/28/91/74/529289174.db2.gz CJAGJCCGDCVCQQ-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN CC[C@@H](C(N)=O)N(C)C/C(C)=C\c1ccccc1 ZINC000494293078 529299080 /nfs/dbraw/zinc/29/90/80/529299080.db2.gz LZDGUQNICCSUQJ-HCYCVZQXSA-N 0 1 246.354 2.286 20 0 BEADMN CC(C)[C@H]1CN(C(=O)c2ccn[nH]2)[C@H]1C(C)C ZINC000334745022 535228302 /nfs/dbraw/zinc/22/83/02/535228302.db2.gz VCIUNZZRGFRDRZ-PWSUYJOCSA-N 0 1 235.331 2.162 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H]2C)n[nH]1 ZINC000336013685 535358861 /nfs/dbraw/zinc/35/88/61/535358861.db2.gz XPWFVXBWGQIIHK-ZJUUUORDSA-N 0 1 235.331 2.404 20 0 BEADMN CC1(C)C[C@H](NCc2ccc(Cl)cn2)CO1 ZINC000335130684 535368151 /nfs/dbraw/zinc/36/81/51/535368151.db2.gz GEHPXLDSDHJIND-NSHDSACASA-N 0 1 240.734 2.392 20 0 BEADMN Cn1ccnc1[C@H](N[C@H]1C=CCC1)C1CC1 ZINC000850509346 582922887 /nfs/dbraw/zinc/92/28/87/582922887.db2.gz NEMZMLIAXLNGAB-NWDGAFQWSA-N 0 1 217.316 2.179 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CC)CC1 ZINC000079348657 535436293 /nfs/dbraw/zinc/43/62/93/535436293.db2.gz JKPMTQYEBOUTLS-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000076966111 535543353 /nfs/dbraw/zinc/54/33/53/535543353.db2.gz LXEVQSAMJZLWBF-CYBMUJFWSA-N 0 1 248.326 2.118 20 0 BEADMN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)OC)C1 ZINC000076145664 535553027 /nfs/dbraw/zinc/55/30/27/535553027.db2.gz OONNUUZYVNOFNX-AAEUAGOBSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@H](C)CN(CC(=O)OC)C1CC1 ZINC000342925153 535608296 /nfs/dbraw/zinc/60/82/96/535608296.db2.gz INSTUTOYKQWDOL-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000181196536 535634024 /nfs/dbraw/zinc/63/40/24/535634024.db2.gz YDRBCWWYZMUQAL-FVCCEPFGSA-N 0 1 240.391 2.220 20 0 BEADMN CCC[C@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000248583947 535742749 /nfs/dbraw/zinc/74/27/49/535742749.db2.gz WYVNNQSNRWZBNN-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2)C[C@@H]1C ZINC000334310338 535777679 /nfs/dbraw/zinc/77/76/79/535777679.db2.gz JBSUAPOEXASMFG-QWHCGFSZSA-N 0 1 246.354 2.241 20 0 BEADMN CC[C@@H](NCCCC(=O)OC)c1nccs1 ZINC000070732931 535803478 /nfs/dbraw/zinc/80/34/78/535803478.db2.gz HUWLTGPCMUGPCE-SECBINFHSA-N 0 1 242.344 2.137 20 0 BEADMN CC[C@@H](NCc1cnc[nH]1)c1c(C)noc1C ZINC000179325905 535805106 /nfs/dbraw/zinc/80/51/06/535805106.db2.gz XNLWSVBEWANHES-LLVKDONJSA-N 0 1 234.303 2.255 20 0 BEADMN CCn1nccc1CN1CCC(C(F)F)CC1 ZINC000353683948 535867969 /nfs/dbraw/zinc/86/79/69/535867969.db2.gz RAZKOQXKGXZLCM-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN CCn1ncnc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000335390515 535894575 /nfs/dbraw/zinc/89/45/75/535894575.db2.gz WFPJPSUXAGEVBM-RYUDHWBXSA-N 0 1 234.347 2.063 20 0 BEADMN CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000261538885 535914193 /nfs/dbraw/zinc/91/41/93/535914193.db2.gz ZRMIDMHSFAZYID-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184633646 535935672 /nfs/dbraw/zinc/93/56/72/535935672.db2.gz JMZVMSTXSHBJNI-NOZJJQNGSA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184633646 535935674 /nfs/dbraw/zinc/93/56/74/535935674.db2.gz JMZVMSTXSHBJNI-NOZJJQNGSA-N 0 1 248.330 2.447 20 0 BEADMN CCc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)n[nH]1 ZINC000335335721 536104531 /nfs/dbraw/zinc/10/45/31/536104531.db2.gz VBVDKJLTSDDHKM-SNVBAGLBSA-N 0 1 247.342 2.377 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C(C)C)C2)n[nH]1 ZINC000335684786 536113002 /nfs/dbraw/zinc/11/30/02/536113002.db2.gz UVKJDXSXUYWSAR-JTQLQIEISA-N 0 1 235.331 2.090 20 0 BEADMN CCc1nnc(CN2C[C@@H](C)CCC[C@H]2C)[nH]1 ZINC000249276388 536139452 /nfs/dbraw/zinc/13/94/52/536139452.db2.gz DDNRPLHMMIEKTQ-WDEREUQCSA-N 0 1 236.363 2.378 20 0 BEADMN CC[C@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000351500690 536168629 /nfs/dbraw/zinc/16/86/29/536168629.db2.gz VEIYOZPADRJLSI-VIFPVBQESA-N 0 1 244.298 2.000 20 0 BEADMN CO[C@@H](C)CSc1nc(C(C)(C)C)n[nH]1 ZINC000180759305 536884088 /nfs/dbraw/zinc/88/40/88/536884088.db2.gz SASSETLWOJLBCV-ZETCQYMHSA-N 0 1 229.349 2.229 20 0 BEADMN CO[C@@H](C)CSc1n[nH]c(C(C)(C)C)n1 ZINC000180759305 536884093 /nfs/dbraw/zinc/88/40/93/536884093.db2.gz SASSETLWOJLBCV-ZETCQYMHSA-N 0 1 229.349 2.229 20 0 BEADMN COCCNC(C)(C)c1nc2ccccc2n1C ZINC000352019086 536892007 /nfs/dbraw/zinc/89/20/07/536892007.db2.gz CRLVHSIRGUWAOF-UHFFFAOYSA-N 0 1 247.342 2.044 20 0 BEADMN COc1cccc(CN2[C@H](C)C[C@@H]2C)n1 ZINC000335679695 537107497 /nfs/dbraw/zinc/10/74/97/537107497.db2.gz UDGPTCHPAHCKAK-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(F)ccc1F ZINC000309977365 566268503 /nfs/dbraw/zinc/26/85/03/566268503.db2.gz UHBMRMCEVQRIOO-NWDGAFQWSA-N 0 1 227.254 2.232 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(F)ccc1F ZINC000309977367 566268428 /nfs/dbraw/zinc/26/84/28/566268428.db2.gz UHBMRMCEVQRIOO-RYUDHWBXSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@@H]1CCCCCN1C(=O)CCc1cnc[nH]1 ZINC000334379468 566394550 /nfs/dbraw/zinc/39/45/50/566394550.db2.gz YOVKQDBNERAEEH-LLVKDONJSA-N 0 1 235.331 2.133 20 0 BEADMN CC[C@@H](NC(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000353336062 566474790 /nfs/dbraw/zinc/47/47/90/566474790.db2.gz LFKWMUDKACLFLL-LLVKDONJSA-N 0 1 237.347 2.283 20 0 BEADMN CC(=O)OC[C@H](C)NCc1c(C)cccc1F ZINC000893086832 583046484 /nfs/dbraw/zinc/04/64/84/583046484.db2.gz SBMQSHYBNLECBG-JTQLQIEISA-N 0 1 239.290 2.175 20 0 BEADMN CO[C@@H]1CC[C@@H](c2nc([C@H](N)C(C)C)no2)C1 ZINC000854132490 583075587 /nfs/dbraw/zinc/07/55/87/583075587.db2.gz AHYSPADEKBILQL-OPRDCNLKSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1cc(CN2CCCSCC2)cnc1F ZINC000893420372 583140917 /nfs/dbraw/zinc/14/09/17/583140917.db2.gz HCPYKHWZDKXNMS-UHFFFAOYSA-N 0 1 240.347 2.468 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000893871566 583236953 /nfs/dbraw/zinc/23/69/53/583236953.db2.gz GAQUIVJWCZAGER-SCRDCRAPSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(Cc1n[nH]c(C)c1C)CC(F)(F)F ZINC000893962249 583257231 /nfs/dbraw/zinc/25/72/31/583257231.db2.gz JWMDUHMAMWAOOK-UHFFFAOYSA-N 0 1 235.253 2.411 20 0 BEADMN C[C@@H](OC(=O)CCC1CCCC1)c1nnc[nH]1 ZINC000853213466 588725470 /nfs/dbraw/zinc/72/54/70/588725470.db2.gz JNMKZFCHEKMBCY-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)/C=C1/CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219258 588725764 /nfs/dbraw/zinc/72/57/64/588725764.db2.gz DRNDBRYUCGKWFN-QJXKICHHSA-N 0 1 235.287 2.155 20 0 BEADMN C/C(=C/C(=O)O[C@H](C)c1nnc[nH]1)C(C)(C)C ZINC000853220993 588726106 /nfs/dbraw/zinc/72/61/06/588726106.db2.gz PVUYCXFDMJCUMF-JGAIRUGNSA-N 0 1 237.303 2.401 20 0 BEADMN CC(C)C[C@H](C)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853219985 588726176 /nfs/dbraw/zinc/72/61/76/588726176.db2.gz UPCSHCYYPPZYLH-VHSXEESVSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@@H](OC(=O)/C=C\C(C)(C)C)c1nnc[nH]1 ZINC000853221258 588726188 /nfs/dbraw/zinc/72/61/88/588726188.db2.gz VAHNJEQAYJFRCI-RPSMYOMKSA-N 0 1 223.276 2.011 20 0 BEADMN C/C(=C\C(=O)O[C@H](C)c1nnc[nH]1)C(C)(C)C ZINC000853220992 588726287 /nfs/dbraw/zinc/72/62/87/588726287.db2.gz PVUYCXFDMJCUMF-BNICOGTQSA-N 0 1 237.303 2.401 20 0 BEADMN Cc1cc(F)cc(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853220974 588726332 /nfs/dbraw/zinc/72/63/32/588726332.db2.gz PGAXKEBZJZWDFY-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN CCCc1occc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853223150 588726388 /nfs/dbraw/zinc/72/63/88/588726388.db2.gz GWQKNYLUTWDTPJ-QMMMGPOBSA-N 0 1 249.270 2.268 20 0 BEADMN C[C@@H](OC(=O)c1ccoc1C1CC1)c1nnc[nH]1 ZINC000853222943 588726702 /nfs/dbraw/zinc/72/67/02/588726702.db2.gz DKTSWSBSJBLYLB-SSDOTTSWSA-N 0 1 247.254 2.193 20 0 BEADMN Cc1cc(C(=O)O[C@H](C)c2nnc[nH]2)cs1 ZINC000853223347 588726841 /nfs/dbraw/zinc/72/68/41/588726841.db2.gz IOELRLFQOWNGRV-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CCCC1(C)C)c1nnc[nH]1 ZINC000853223849 588727036 /nfs/dbraw/zinc/72/70/36/588727036.db2.gz AOHMGTZNTFWYGK-RKDXNWHRSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1sccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225738 588727154 /nfs/dbraw/zinc/72/71/54/588727154.db2.gz RRQVYVXORKYVBN-LURJTMIESA-N 0 1 237.284 2.093 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224914 588727398 /nfs/dbraw/zinc/72/73/98/588727398.db2.gz IYCXLVMZRAQTGC-RKDXNWHRSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224911 588727514 /nfs/dbraw/zinc/72/75/14/588727514.db2.gz IYCXLVMZRAQTGC-BDAKNGLRSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)[C@H]1C[C@@H]1C1CCCC1)c1nnc[nH]1 ZINC000853227411 588727635 /nfs/dbraw/zinc/72/76/35/588727635.db2.gz PWNBQYFDMGKBGM-GDPRMGEGSA-N 0 1 249.314 2.235 20 0 BEADMN C[C@@H](OC(=O)[C@@H](F)c1ccccc1)c1nnc[nH]1 ZINC000853226586 588727853 /nfs/dbraw/zinc/72/78/53/588727853.db2.gz YMVVHPPRIRLOOB-SCZZXKLOSA-N 0 1 249.245 2.120 20 0 BEADMN C[C@@H](NCCOCCF)c1cccnc1Cl ZINC000853238428 588728401 /nfs/dbraw/zinc/72/84/01/588728401.db2.gz ITHOMYSRMHYZHM-SECBINFHSA-N 0 1 246.713 2.372 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000111254212 588738030 /nfs/dbraw/zinc/73/80/30/588738030.db2.gz OWEIJYGOBPWXEV-WCQYABFASA-N 0 1 233.311 2.148 20 0 BEADMN CCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000111289309 588741312 /nfs/dbraw/zinc/74/13/12/588741312.db2.gz MKHJVVGQJIZDDH-PHIMTYICSA-N 0 1 242.363 2.336 20 0 BEADMN CC(C)[C@@H]1CCN(CN2CCC(C)(C)C2)C1=O ZINC000853500210 588745756 /nfs/dbraw/zinc/74/57/56/588745756.db2.gz OOLFAWLTBQHXFY-LBPRGKRZSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1C(=O)N(CN(C)C[C@H]2CC2(C)C)C[C@H]1C ZINC000853628707 588751004 /nfs/dbraw/zinc/75/10/04/588751004.db2.gz WPHGSRVHVGDTEE-IJLUTSLNSA-N 0 1 238.375 2.036 20 0 BEADMN CO[C@H](CON=C(N)C(C)C)C1CCCC1 ZINC000853685154 588755928 /nfs/dbraw/zinc/75/59/28/588755928.db2.gz QZKRUOOSHDUCMZ-LLVKDONJSA-N 0 1 228.336 2.346 20 0 BEADMN CO[C@@H](CON=C(N)C(C)C)C1CCCC1 ZINC000853685155 588755974 /nfs/dbraw/zinc/75/59/74/588755974.db2.gz QZKRUOOSHDUCMZ-NSHDSACASA-N 0 1 228.336 2.346 20 0 BEADMN CCC(F)(F)C(=O)N[C@@H](C)C(F)(F)F ZINC000854481883 588789218 /nfs/dbraw/zinc/78/92/18/588789218.db2.gz RCDABWISDUYFHA-BYPYZUCNSA-N 0 1 219.153 2.099 20 0 BEADMN O=C(/C=C\C1CC1)NCc1ccc2nc[nH]c2c1 ZINC000854810287 588811908 /nfs/dbraw/zinc/81/19/08/588811908.db2.gz PJACHJGEJMENBE-XQRVVYSFSA-N 0 1 241.294 2.145 20 0 BEADMN CN(CCC1CCCCC1)CN1CCCC1=O ZINC000113244102 588828193 /nfs/dbraw/zinc/82/81/93/588828193.db2.gz HSRDUQIKQBKBHY-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1CCCN1C1CC1 ZINC000890767644 582543425 /nfs/dbraw/zinc/54/34/25/582543425.db2.gz SLWSTBRWDZGVMV-BNOWGMLFSA-N 0 1 248.370 2.084 20 0 BEADMN C[C@@H](c1ccncc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450298 582589306 /nfs/dbraw/zinc/58/93/06/582589306.db2.gz KMAVEUUPWDJTHA-INTQDDNPSA-N 0 1 224.254 2.340 20 0 BEADMN Cc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000113396975 588838016 /nfs/dbraw/zinc/83/80/16/588838016.db2.gz QSJANBLQCWLCQB-WCQYABFASA-N 0 1 233.311 2.148 20 0 BEADMN C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000113395175 588838277 /nfs/dbraw/zinc/83/82/77/588838277.db2.gz IXJMRIDVCNGZQV-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846105777 582646761 /nfs/dbraw/zinc/64/67/61/582646761.db2.gz YAWHUEAOGFWSGI-NSHDSACASA-N 0 1 241.285 2.339 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCCO2)cnc1F ZINC000891581187 582699889 /nfs/dbraw/zinc/69/98/89/582699889.db2.gz HLEDMGFWYQAJQN-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(N)nc(N(C)[C@@H](C)C(C)(C)C)n1 ZINC000891720906 582714170 /nfs/dbraw/zinc/71/41/70/582714170.db2.gz OUYMQJFKTACVCW-VIFPVBQESA-N 0 1 222.336 2.238 20 0 BEADMN C[N@@H+](Cc1ccc([O-])c(F)c1)CC1CC1 ZINC000891736815 582715360 /nfs/dbraw/zinc/71/53/60/582715360.db2.gz QMKFTXDZFRDYFE-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN C[N@H+](Cc1ccc([O-])c(F)c1)CC1CC1 ZINC000891736815 582715362 /nfs/dbraw/zinc/71/53/62/582715362.db2.gz QMKFTXDZFRDYFE-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN CN(Cc1nccc2c1CCCC2)[C@H]1CCOC1 ZINC000891936304 582740851 /nfs/dbraw/zinc/74/08/51/582740851.db2.gz VVXLJOKBSNAHIM-ZDUSSCGKSA-N 0 1 246.354 2.181 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2C)c(=O)c1C ZINC000111739208 582817851 /nfs/dbraw/zinc/81/78/51/582817851.db2.gz YNVUBTBLWKENDX-MRVPVSSYSA-N 0 1 220.247 2.493 20 0 BEADMN CCc1cc(CNc2nccnc2Cl)n[nH]1 ZINC000892505306 582900486 /nfs/dbraw/zinc/90/04/86/582900486.db2.gz SABRJWMCJGJJSH-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN O=C(Nc1ccc(Cl)nc1)c1ncccc1O ZINC000113982806 588863777 /nfs/dbraw/zinc/86/37/77/588863777.db2.gz HHJDLJIKHCGJKL-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN C[C@@H]1CC[C@@H]1N[C@@H](CO)c1c(F)cccc1F ZINC000783252375 582953712 /nfs/dbraw/zinc/95/37/12/582953712.db2.gz PGEUHEXHEAFCIU-ZHAHWJHGSA-N 0 1 241.281 2.386 20 0 BEADMN CC(C(=O)O[C@H](C)c1n[nH]c(C)n1)=C1CCC1 ZINC000840580638 582974539 /nfs/dbraw/zinc/97/45/39/582974539.db2.gz HSYXEIQGXBQAAR-MRVPVSSYSA-N 0 1 235.287 2.218 20 0 BEADMN Cc1cc(NCCN2CCC2)nc(C2CCC2)n1 ZINC000892952812 583017886 /nfs/dbraw/zinc/01/78/86/583017886.db2.gz KFNMJZRFIGLUQF-UHFFFAOYSA-N 0 1 246.358 2.170 20 0 BEADMN C[C@@H](OC(=O)CC1CC(C)(C)C1)c1nnc[nH]1 ZINC000853224443 583031852 /nfs/dbraw/zinc/03/18/52/583031852.db2.gz GINYABPSRCPZOB-MRVPVSSYSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)c1nnc(CNCCCF)s1 ZINC000893122750 583053390 /nfs/dbraw/zinc/05/33/90/583053390.db2.gz AGJDHHBOFJLTNZ-UHFFFAOYSA-N 0 1 217.313 2.111 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H](C(C)(C)C)C2)n1 ZINC000893144935 583057092 /nfs/dbraw/zinc/05/70/92/583057092.db2.gz CSYYQPVCVSHDIX-JTQLQIEISA-N 0 1 234.347 2.240 20 0 BEADMN COc1ccnc(NCc2nccn2C2CC2)c1 ZINC000893256479 583078969 /nfs/dbraw/zinc/07/89/69/583078969.db2.gz TXROBPNODSZCCA-UHFFFAOYSA-N 0 1 244.298 2.234 20 0 BEADMN CC[C@H](NCc1nccn1C1CC1)[C@@H]1CCCO1 ZINC000893256997 583079263 /nfs/dbraw/zinc/07/92/63/583079263.db2.gz XDHMEQOQCJFGGC-STQMWFEESA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)(C(=O)NOCC1CCC1)c1cccnc1 ZINC000856348595 588869444 /nfs/dbraw/zinc/86/94/44/588869444.db2.gz LIHUVPOZSLHLCL-UHFFFAOYSA-N 0 1 248.326 2.207 20 0 BEADMN Cn1cc(CN[C@@H]2CCC(F)(F)C2)c(Cl)n1 ZINC000856773453 588877229 /nfs/dbraw/zinc/87/72/29/588877229.db2.gz DTKVGUBVEOKTHE-MRVPVSSYSA-N 0 1 249.692 2.351 20 0 BEADMN Cn1cc(CN[C@@H]2CSC2(C)C)c(Cl)n1 ZINC000856786919 588877670 /nfs/dbraw/zinc/87/76/70/588877670.db2.gz SAIXZPXPPOIRGK-MRVPVSSYSA-N 0 1 245.779 2.057 20 0 BEADMN CCn1cc(CN[C@H]2C[C@@H]2C2CCCCC2)nn1 ZINC000893356604 583121167 /nfs/dbraw/zinc/12/11/67/583121167.db2.gz NELUUTJSXKVUGO-KGLIPLIRSA-N 0 1 248.374 2.356 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1CC12CCC2)N(C)C ZINC000893468986 583149518 /nfs/dbraw/zinc/14/95/18/583149518.db2.gz MNFQCTZIKSUJRE-RYUDHWBXSA-N 0 1 239.359 2.306 20 0 BEADMN CCCCN(C)[C@@H](CC)C(=O)OCC ZINC000082760961 583155131 /nfs/dbraw/zinc/15/51/31/583155131.db2.gz LEPCYZJBOTZEMU-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN C[C@H]1COCCCN1CCC(=O)c1ccccc1 ZINC000399269364 583172627 /nfs/dbraw/zinc/17/26/27/583172627.db2.gz CDTTVNPEFONRLX-ZDUSSCGKSA-N 0 1 247.338 2.370 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cn(C)nc2Cl)C1 ZINC000857022069 588882409 /nfs/dbraw/zinc/88/24/09/588882409.db2.gz DKCBEYJTIMLKER-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN CC[C@H]1CCN(Cc2cn(C)nc2Cl)C1 ZINC000857024822 588882801 /nfs/dbraw/zinc/88/28/01/588882801.db2.gz APUYBVLDXYAVAJ-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN Cc1ccc(CN2CC(CC3CC3)C2)nn1 ZINC000857066769 588885588 /nfs/dbraw/zinc/88/55/88/588885588.db2.gz VBBRTOLTFQWJFU-UHFFFAOYSA-N 0 1 217.316 2.017 20 0 BEADMN CCCN1CCN(Cc2cc(C)co2)CC1 ZINC000893872085 583237747 /nfs/dbraw/zinc/23/77/47/583237747.db2.gz OPYORPBFXYSVAR-UHFFFAOYSA-N 0 1 222.332 2.116 20 0 BEADMN CC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\C(C)(C)C ZINC000893873899 583238787 /nfs/dbraw/zinc/23/87/87/583238787.db2.gz SBNHDKIOSBRXPS-UCQJPZFISA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)/C(C)=C\C(C)(C)C ZINC000893873899 583238790 /nfs/dbraw/zinc/23/87/90/583238790.db2.gz SBNHDKIOSBRXPS-UCQJPZFISA-N 0 1 238.375 2.189 20 0 BEADMN Cc1ncoc1CN1CCC(OC(C)C)CC1 ZINC000893970068 583264118 /nfs/dbraw/zinc/26/41/18/583264118.db2.gz YUSQYQIKQZYJJV-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1[nH]nc(CN(C)C[C@H]2CCCCO2)c1C ZINC000893974623 583264765 /nfs/dbraw/zinc/26/47/65/583264765.db2.gz UJRZOHQAEVYTIQ-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CCN(Cc1[nH]nc(C)c1C)C[C@@H]1CCCO1 ZINC000893973254 583264969 /nfs/dbraw/zinc/26/49/69/583264969.db2.gz IBBFXYMLTZESHK-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN CCCCN(CCOC)Cc1[nH]nc(C)c1C ZINC000894022185 583275146 /nfs/dbraw/zinc/27/51/46/583275146.db2.gz UQBMZPUYCCRADC-UHFFFAOYSA-N 0 1 239.363 2.275 20 0 BEADMN CC(=O)OC1CCN(Cc2cc(C)co2)CC1 ZINC000894030850 583277637 /nfs/dbraw/zinc/27/76/37/583277637.db2.gz NBTMUAHSNCFBHJ-UHFFFAOYSA-N 0 1 237.299 2.116 20 0 BEADMN CSc1ccc(CN2CCC(C)(O)CC2)o1 ZINC000894029734 583281736 /nfs/dbraw/zinc/28/17/36/583281736.db2.gz CJILBZBAHHVWFX-UHFFFAOYSA-N 0 1 241.356 2.348 20 0 BEADMN Cc1n[nH]c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1C ZINC000894088129 583298551 /nfs/dbraw/zinc/29/85/51/583298551.db2.gz ICWNJGDAXZZPSO-TZMCWYRMSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1[nH]nc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C ZINC000894088129 583298554 /nfs/dbraw/zinc/29/85/54/583298554.db2.gz ICWNJGDAXZZPSO-TZMCWYRMSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@@H]3COCC[C@H]32)c1C ZINC000894088129 583298562 /nfs/dbraw/zinc/29/85/62/583298562.db2.gz ICWNJGDAXZZPSO-TZMCWYRMSA-N 0 1 249.358 2.027 20 0 BEADMN C[N@H+](CCCCCO)Cc1ccc([O-])c(F)c1 ZINC000894113438 583308951 /nfs/dbraw/zinc/30/89/51/583308951.db2.gz OHWQBJXUZZPLAM-UHFFFAOYSA-N 0 1 241.306 2.126 20 0 BEADMN C[N@@H+](CCCCCO)Cc1ccc([O-])c(F)c1 ZINC000894113438 583308953 /nfs/dbraw/zinc/30/89/53/583308953.db2.gz OHWQBJXUZZPLAM-UHFFFAOYSA-N 0 1 241.306 2.126 20 0 BEADMN CCc1cc(CNc2cc(C)nc(CC)n2)n[nH]1 ZINC000804451260 583314783 /nfs/dbraw/zinc/31/47/83/583314783.db2.gz CEIWTCHXDXIVJV-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN CC1CN(Cc2cnn(CC3CCC3)c2)C1 ZINC000894157324 583320642 /nfs/dbraw/zinc/32/06/42/583320642.db2.gz BSHAMTNRVDKSCJ-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877958795 583354413 /nfs/dbraw/zinc/35/44/13/583354413.db2.gz XJHILWSZQKXSLO-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1conc1CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000878406777 583372817 /nfs/dbraw/zinc/37/28/17/583372817.db2.gz CUUXCHBOMDOZGS-OLZOCXBDSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cccc2c1CC[N@@H+](CCCC(=O)[O-])C2 ZINC000738320464 583393127 /nfs/dbraw/zinc/39/31/27/583393127.db2.gz MYPXWYPOALISHC-UHFFFAOYSA-N 0 1 233.311 2.218 20 0 BEADMN CC[C@@H](NCc1nocc1C)[C@@H]1CCCCO1 ZINC000878847064 583406856 /nfs/dbraw/zinc/40/68/56/583406856.db2.gz PBPQUESRIYZUIT-YPMHNXCESA-N 0 1 238.331 2.420 20 0 BEADMN COc1ccc(CN[C@@H]2CSC2(C)C)nc1 ZINC000894280411 583408183 /nfs/dbraw/zinc/40/81/83/583408183.db2.gz LFGOMTWKESDYRN-LLVKDONJSA-N 0 1 238.356 2.074 20 0 BEADMN CN(CCCCc1ccccc1)CN1CCC1=O ZINC000857231581 588897023 /nfs/dbraw/zinc/89/70/23/588897023.db2.gz OEZGNVPOWGDSCT-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN CCN(CN1C[C@H](C(C)C)CC1=O)C1CCC1 ZINC000738057400 583421428 /nfs/dbraw/zinc/42/14/28/583421428.db2.gz QXPOAEAGYKITFZ-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1nc2c(s1)[C@H](NCc1c[nH]cn1)CCC2 ZINC000894430997 583457683 /nfs/dbraw/zinc/45/76/83/583457683.db2.gz INQRTYLQGFUDFR-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN CO[C@@H]1Cc2ccc(NCc3cnc[nH]3)cc2C1 ZINC000894445268 583461276 /nfs/dbraw/zinc/46/12/76/583461276.db2.gz PPRVAABQWSVEEK-CQSZACIVSA-N 0 1 243.310 2.135 20 0 BEADMN Cc1nnc([C@@H](C)NC2CC3(C2)CCCC3)[nH]1 ZINC000894466859 583468078 /nfs/dbraw/zinc/46/80/78/583468078.db2.gz FRBYWGSTUBRUSV-SECBINFHSA-N 0 1 234.347 2.487 20 0 BEADMN Cc1coc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000894486839 583471675 /nfs/dbraw/zinc/47/16/75/583471675.db2.gz DTEHTJSZFFDDIP-NWDGAFQWSA-N 0 1 222.332 2.112 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1C ZINC000894532707 583478282 /nfs/dbraw/zinc/47/82/82/583478282.db2.gz DVQZDDLCJOAQBG-KPXOXKRLSA-N 0 1 237.347 2.024 20 0 BEADMN Fc1cccc2c1OCC[C@H]2NCc1cnc[nH]1 ZINC000894535876 583479769 /nfs/dbraw/zinc/47/97/69/583479769.db2.gz XOAWWBQYMPRYIV-GFCCVEGCSA-N 0 1 247.273 2.162 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2[nH]nc(C)c2C)CCCO1 ZINC000894652408 583501446 /nfs/dbraw/zinc/50/14/46/583501446.db2.gz IAKYCTHFFSWEOD-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN FC[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000880237722 583505752 /nfs/dbraw/zinc/50/57/52/583505752.db2.gz FWFFPBIIFQBARH-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN CS[C@H]1CCN(Cc2cnc(F)cc2C)C1 ZINC000894691889 583508061 /nfs/dbraw/zinc/50/80/61/583508061.db2.gz JGUPHJZKAMAVTN-NSHDSACASA-N 0 1 240.347 2.466 20 0 BEADMN CC/C=C/CNCc1ccc(OC)cn1 ZINC000894704613 583510849 /nfs/dbraw/zinc/51/08/49/583510849.db2.gz WFQOGTNGPZNDSP-SNAWJCMRSA-N 0 1 206.289 2.146 20 0 BEADMN CCn1cc(CNCc2cnccc2C)c(C)n1 ZINC000894730539 583513493 /nfs/dbraw/zinc/51/34/93/583513493.db2.gz XFKKNAMDKUTIRQ-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H]2CCC23CCC3)[nH]1 ZINC000894774681 583517809 /nfs/dbraw/zinc/51/78/09/583517809.db2.gz VYAOBLSVOZHWNT-SCZZXKLOSA-N 0 1 220.320 2.096 20 0 BEADMN Cc1ncoc1CN[C@H](C)[C@H](O)c1ccccc1 ZINC000894785963 583521218 /nfs/dbraw/zinc/52/12/18/583521218.db2.gz BAISKRLREOQQRQ-RISCZKNCSA-N 0 1 246.310 2.195 20 0 BEADMN CCC1CN(Cc2cn(C)nc2C2CC2)C1 ZINC000894813954 583523972 /nfs/dbraw/zinc/52/39/72/583523972.db2.gz XCFMUBQSLYXCFQ-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN CCC1(C)CN(Cc2c3c(nn2C)CCC3)C1 ZINC000894838591 583529190 /nfs/dbraw/zinc/52/91/90/583529190.db2.gz DOZNDVCYQNTPCY-UHFFFAOYSA-N 0 1 233.359 2.141 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1ccc2c(n1)CCC2 ZINC000894860623 583534649 /nfs/dbraw/zinc/53/46/49/583534649.db2.gz QDMPMRGFWHTNFE-WDEREUQCSA-N 0 1 216.328 2.411 20 0 BEADMN CCCn1nccc1CN1C[C@@H](C)[C@@H]1C ZINC000894861726 583535235 /nfs/dbraw/zinc/53/52/35/583535235.db2.gz NTRVXUMRINJXEJ-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN CC(C)n1cncc1CN1C[C@H](C)[C@H]1C ZINC000894861543 583535924 /nfs/dbraw/zinc/53/59/24/583535924.db2.gz KMCJPESSXVIDKE-WDEREUQCSA-N 0 1 207.321 2.304 20 0 BEADMN C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@H]1C ZINC000894861482 583536213 /nfs/dbraw/zinc/53/62/13/583536213.db2.gz ILDZZCZPMSSGAL-BDAKNGLRSA-N 0 1 233.267 2.226 20 0 BEADMN COC(=O)/C=C\c1ccc(CN2C[C@H](C)[C@H]2C)o1 ZINC000894862235 583536551 /nfs/dbraw/zinc/53/65/51/583536551.db2.gz VEWGTEQCYGWXOB-QIAMSNJGSA-N 0 1 249.310 2.306 20 0 BEADMN COc1cncc(CN2C[C@H](C)[C@H]2C)c1C ZINC000894862406 583537208 /nfs/dbraw/zinc/53/72/08/583537208.db2.gz XSLMCPLAONGREX-GXSJLCMTSA-N 0 1 220.316 2.239 20 0 BEADMN CC[C@H](C)[C@H](CNCc1ocnc1C)OC ZINC000894873608 583541009 /nfs/dbraw/zinc/54/10/09/583541009.db2.gz KHJIBMIFZASWGI-ONGXEEELSA-N 0 1 226.320 2.134 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1ocnc1C)OC ZINC000894873605 583541018 /nfs/dbraw/zinc/54/10/18/583541018.db2.gz KHJIBMIFZASWGI-KOLCDFICSA-N 0 1 226.320 2.134 20 0 BEADMN OC1(CCCNCc2nccn2C2CC2)CCC1 ZINC000894974010 583561926 /nfs/dbraw/zinc/56/19/26/583561926.db2.gz BADBGMCBCZSKDC-UHFFFAOYSA-N 0 1 249.358 2.003 20 0 BEADMN Cc1ncoc1CN[C@H]1C[C@@H](OC(C)C)C1 ZINC000894983434 583564874 /nfs/dbraw/zinc/56/48/74/583564874.db2.gz QEXCHMYTOHLIHH-PHIMTYICSA-N 0 1 224.304 2.029 20 0 BEADMN Cc1[nH]nc(CN2CCO[C@H](C3CCC3)C2)c1C ZINC000894987424 583565418 /nfs/dbraw/zinc/56/54/18/583565418.db2.gz PYHAHNAMYIWOEP-AWEZNQCLSA-N 0 1 249.358 2.027 20 0 BEADMN c1[nH]nc2c1CCC[C@@H]2NCCOC1CCCC1 ZINC000857848956 588912818 /nfs/dbraw/zinc/91/28/18/588912818.db2.gz DOFJPGTZAFHHFX-ZDUSSCGKSA-N 0 1 249.358 2.336 20 0 BEADMN c1nc2c([nH]1)C1(CCC1)N(CC1CC1)CC2 ZINC000895068264 583578473 /nfs/dbraw/zinc/57/84/73/583578473.db2.gz PYLWCYLEBYXZKV-UHFFFAOYSA-N 0 1 217.316 2.057 20 0 BEADMN Cl/C=C\CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000749113405 583580694 /nfs/dbraw/zinc/58/06/94/583580694.db2.gz GGPBTVCLWYTGQW-KYXXQBJFSA-N 0 1 245.750 2.009 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)C2CCCC2)n[nH]1 ZINC000749389412 583589352 /nfs/dbraw/zinc/58/93/52/583589352.db2.gz ABFWOVRVNHKFRE-SNVBAGLBSA-N 0 1 249.358 2.415 20 0 BEADMN CC[C@@H](CNCc1ccc(Cl)o1)C(=O)OC ZINC000895120675 583594389 /nfs/dbraw/zinc/59/43/89/583594389.db2.gz QMSGQGURHQYKTA-QMMMGPOBSA-N 0 1 245.706 2.222 20 0 BEADMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc[nH]1 ZINC000857861906 588914708 /nfs/dbraw/zinc/91/47/08/588914708.db2.gz VYTMLSGWLXUQQC-JOYOIKCWSA-N 0 1 230.315 2.466 20 0 BEADMN COc1ccc(N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000857862247 588915107 /nfs/dbraw/zinc/91/51/07/588915107.db2.gz ZKXJJNNFYACCAM-NSHDSACASA-N 0 1 244.298 2.303 20 0 BEADMN CC(F)(F)CN[C@@H]1CCCc2cn[nH]c21 ZINC000857867909 588915435 /nfs/dbraw/zinc/91/54/35/588915435.db2.gz MAHHIWWSXXDWSO-MRVPVSSYSA-N 0 1 215.247 2.032 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC000882491322 583618372 /nfs/dbraw/zinc/61/83/72/583618372.db2.gz DTFXDKAWSHQNAF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCC(F)(F)CN[C@H]1CCCc2cn[nH]c21 ZINC000857870303 588917820 /nfs/dbraw/zinc/91/78/20/588917820.db2.gz FBPWPRKEDGHVTI-VIFPVBQESA-N 0 1 229.274 2.422 20 0 BEADMN CC1=NO[C@@H](CNCc2cc3cccnc3o2)C1 ZINC000895303285 583645092 /nfs/dbraw/zinc/64/50/92/583645092.db2.gz AIBHTCIGNCLMBO-GFCCVEGCSA-N 0 1 245.282 2.082 20 0 BEADMN COc1ccsc1CNC[C@@H]1CC(C)=NO1 ZINC000895308847 583646541 /nfs/dbraw/zinc/64/65/41/583646541.db2.gz PMMGZDKPYZTQFL-VIFPVBQESA-N 0 1 240.328 2.011 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@H]3COC[C@H]3C2)n1 ZINC000895334872 583652819 /nfs/dbraw/zinc/65/28/19/583652819.db2.gz HZFLQEVRMSANJL-NWDGAFQWSA-N 0 1 249.358 2.001 20 0 BEADMN Cc1ccc(CNCc2cncnc2)cc1F ZINC000727465367 583655993 /nfs/dbraw/zinc/65/59/93/583655993.db2.gz BYVNRHXKMQJLTG-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN COc1ccc(CN[C@H]2COC3(CCC3)C2)o1 ZINC000895361639 583658917 /nfs/dbraw/zinc/65/89/17/583658917.db2.gz BTWSOSAUULXXTE-SNVBAGLBSA-N 0 1 237.299 2.089 20 0 BEADMN CCOC(=O)C1=CC[C@@H](NCc2cc(C)co2)C1 ZINC000895393506 583664556 /nfs/dbraw/zinc/66/45/56/583664556.db2.gz LDMDLQYTZWVQMM-GFCCVEGCSA-N 0 1 249.310 2.330 20 0 BEADMN c1cc2c(c(CNC3CSC3)n1)CCCC2 ZINC000895432709 583671142 /nfs/dbraw/zinc/67/11/42/583671142.db2.gz DXWMTOLQNXKWDW-UHFFFAOYSA-N 0 1 234.368 2.165 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000895450990 583676573 /nfs/dbraw/zinc/67/65/73/583676573.db2.gz DPZFVPZYASHDQS-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN COCC(C)(C)CN(C)Cc1ccns1 ZINC000895451910 583676584 /nfs/dbraw/zinc/67/65/84/583676584.db2.gz FCCHKOFJAIBEQF-UHFFFAOYSA-N 0 1 228.361 2.248 20 0 BEADMN C[N@@H+](CCC[C@@H]1CCO1)Cc1ccns1 ZINC000895452808 583677122 /nfs/dbraw/zinc/67/71/22/583677122.db2.gz XMQGNEGMZSKQAS-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CN(CCC[C@@H]1CCO1)Cc1ccns1 ZINC000895452808 583677123 /nfs/dbraw/zinc/67/71/23/583677123.db2.gz XMQGNEGMZSKQAS-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CN(C(=O)[C@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000895501128 583681407 /nfs/dbraw/zinc/68/14/07/583681407.db2.gz RKKQVIPOKBTKDU-GFCCVEGCSA-N 0 1 238.375 2.260 20 0 BEADMN FC1CCN(Cc2cccc3nccn32)CC1 ZINC000895547146 583686822 /nfs/dbraw/zinc/68/68/22/583686822.db2.gz NMKJMAFFCIHNMC-UHFFFAOYSA-N 0 1 233.290 2.268 20 0 BEADMN Cn1ncc(C2CC2)c1CN1CCC(F)CC1 ZINC000895546449 583689885 /nfs/dbraw/zinc/68/98/85/583689885.db2.gz NNGPZIZDOIWUGF-UHFFFAOYSA-N 0 1 237.322 2.231 20 0 BEADMN Cc1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1Cl ZINC000895653571 583700998 /nfs/dbraw/zinc/70/09/98/583700998.db2.gz NPBWPJPTZBVDDD-DGCLKSJQSA-N 0 1 237.730 2.215 20 0 BEADMN CC(C)(NCc1cc[nH]n1)[C@@H](O)c1ccccc1 ZINC000895659329 583701892 /nfs/dbraw/zinc/70/18/92/583701892.db2.gz VKMNAFNJTCGIMR-ZDUSSCGKSA-N 0 1 245.326 2.012 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895666224 583705917 /nfs/dbraw/zinc/70/59/17/583705917.db2.gz XHJSPXUNNZSJCT-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN Cn1ncc(CNCC(C)(C)F)c1C1CC1 ZINC000895691446 583707513 /nfs/dbraw/zinc/70/75/13/583707513.db2.gz PIVNXLAWUPAAHT-UHFFFAOYSA-N 0 1 225.311 2.135 20 0 BEADMN CCCSC[C@@H](C)NCc1ncc[nH]1 ZINC000895704729 583710260 /nfs/dbraw/zinc/71/02/60/583710260.db2.gz OTGYKYDIHKKPOQ-SECBINFHSA-N 0 1 213.350 2.031 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)NCC3CCC3)c2C1 ZINC000895695435 583710444 /nfs/dbraw/zinc/71/04/44/583710444.db2.gz WHKLBCKYRSTUKQ-SECBINFHSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H](NCC1CCC2(CC1)OCCO2)C(F)F ZINC000895724980 583713196 /nfs/dbraw/zinc/71/31/96/583713196.db2.gz JSHFJKFWPPPFCN-SECBINFHSA-N 0 1 249.301 2.163 20 0 BEADMN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ncco1 ZINC000895766763 583719438 /nfs/dbraw/zinc/71/94/38/583719438.db2.gz UVDSVXVJGBNYIE-QCNOEVLYSA-N 0 1 248.326 2.283 20 0 BEADMN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ncco1 ZINC000895766365 583719578 /nfs/dbraw/zinc/71/95/78/583719578.db2.gz SGECZROOZNSUTI-LNFKQOIKSA-N 0 1 236.315 2.139 20 0 BEADMN Cc1cc2c(ncnc2NC[C@H]2CCN2C)s1 ZINC000895770638 583725395 /nfs/dbraw/zinc/72/53/95/583725395.db2.gz QQJZGFVGIUUYKL-SECBINFHSA-N 0 1 248.355 2.116 20 0 BEADMN Cc1coc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895776952 583726836 /nfs/dbraw/zinc/72/68/36/583726836.db2.gz MFVHQMMVTBXAJE-PHIMTYICSA-N 0 1 223.341 2.383 20 0 BEADMN CC1(C)CN(Cc2cccc3c2OCC3)C1 ZINC000895825764 583734892 /nfs/dbraw/zinc/73/48/92/583734892.db2.gz MDLPYWLLRYIPGA-UHFFFAOYSA-N 0 1 217.312 2.463 20 0 BEADMN CN(CCCF)Cc1c(C2CC2)cnn1C ZINC000895896161 583743506 /nfs/dbraw/zinc/74/35/06/583743506.db2.gz PKTYOPVPYCOZJV-UHFFFAOYSA-N 0 1 225.311 2.089 20 0 BEADMN Cc1c(F)nccc1CN(C)CCCF ZINC000895896655 583744679 /nfs/dbraw/zinc/74/46/79/583744679.db2.gz XZCRZFKJEQMIGQ-UHFFFAOYSA-N 0 1 214.259 2.321 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2cc(C)ns2)C1 ZINC000895926699 583748496 /nfs/dbraw/zinc/74/84/96/583748496.db2.gz JPFWHKYGDNUXGA-MNOVXSKESA-N 0 1 240.372 2.451 20 0 BEADMN COCC1CN(Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000895976259 583753233 /nfs/dbraw/zinc/75/32/33/583753233.db2.gz MXXUZBUFTHUQED-NSHDSACASA-N 0 1 247.338 2.088 20 0 BEADMN CO[C@@H]1CN(C[C@@H](C)Cc2ccccc2)CCO1 ZINC000895968224 583754450 /nfs/dbraw/zinc/75/44/50/583754450.db2.gz KDIADIOPEWHEJH-ZFWWWQNUSA-N 0 1 249.354 2.170 20 0 BEADMN CC[C@@H](CN1CCO[C@H](OC)C1)c1ccccc1 ZINC000895968093 583754567 /nfs/dbraw/zinc/75/45/67/583754567.db2.gz HBBOJXCAXFMCQB-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN COCC1CN(Cc2ccc(F)cc2C)C1 ZINC000895970755 583755891 /nfs/dbraw/zinc/75/58/91/583755891.db2.gz INNWHPNMWXHLFX-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN CCOc1cccc(CN2CC(COC)C2)c1 ZINC000895970719 583756223 /nfs/dbraw/zinc/75/62/23/583756223.db2.gz FRPOTPHTWCDTJE-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN C[C@@H](NC1CC2(C1)CO[C@H](C)C2)c1ncco1 ZINC000896046889 583765837 /nfs/dbraw/zinc/76/58/37/583765837.db2.gz YXOPSHKICGPNRC-IXYVEGFRSA-N 0 1 236.315 2.283 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896093902 583771714 /nfs/dbraw/zinc/77/17/14/583771714.db2.gz DWEUOCZOHBDWDP-LLVKDONJSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](O)CCNc1ccnc(C)c1Cl ZINC000896187370 583781039 /nfs/dbraw/zinc/78/10/39/583781039.db2.gz OGWYOMIPWSKCCA-JTQLQIEISA-N 0 1 242.750 2.428 20 0 BEADMN CCC[C@H](O)CCNc1cccc(C)n1 ZINC000896187579 583781332 /nfs/dbraw/zinc/78/13/32/583781332.db2.gz QTLUFWAJUORHEH-NSHDSACASA-N 0 1 208.305 2.353 20 0 BEADMN CCC[C@@H](O)CCNc1cccc(C)n1 ZINC000896187578 583781881 /nfs/dbraw/zinc/78/18/81/583781881.db2.gz QTLUFWAJUORHEH-LLVKDONJSA-N 0 1 208.305 2.353 20 0 BEADMN Cc1ccc(CN2CC[C@H](c3noc(C)n3)C2)o1 ZINC000896235944 583785501 /nfs/dbraw/zinc/78/55/01/583785501.db2.gz APWUQUHRHZOHGK-NSHDSACASA-N 0 1 247.298 2.269 20 0 BEADMN Cc1ccoc1CN1CC[C@H](c2noc(C)n2)C1 ZINC000896236904 583785518 /nfs/dbraw/zinc/78/55/18/583785518.db2.gz JZRJVEDIFHFEEI-NSHDSACASA-N 0 1 247.298 2.269 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896290701 583790147 /nfs/dbraw/zinc/79/01/47/583790147.db2.gz PTWIMRRJSCHSAZ-VIFPVBQESA-N 0 1 246.314 2.076 20 0 BEADMN CCN(C(=O)[C@H]1CCN1C(C)(C)C)C1CCC1 ZINC000896508374 583808212 /nfs/dbraw/zinc/80/82/12/583808212.db2.gz RNAOQRFRCIYAEU-GFCCVEGCSA-N 0 1 238.375 2.260 20 0 BEADMN COc1ccsc1CN1CCO[C@@H](C)CC1 ZINC000896585775 583815788 /nfs/dbraw/zinc/81/57/88/583815788.db2.gz VQYHRWLIGXZZFP-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)NCCC3CC3)c2C1 ZINC000896700428 583822923 /nfs/dbraw/zinc/82/29/23/583822923.db2.gz VZVRYTAHKCKUJU-VIFPVBQESA-N 0 1 247.342 2.064 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897043177 583873864 /nfs/dbraw/zinc/87/38/64/583873864.db2.gz NRACZWTUDUETTL-MNOVXSKESA-N 0 1 242.363 2.048 20 0 BEADMN O=C(OCC1CC1)c1cccc2[nH]ncc21 ZINC000728764866 583906985 /nfs/dbraw/zinc/90/69/85/583906985.db2.gz SQRVENQUKWVIFV-UHFFFAOYSA-N 0 1 216.240 2.130 20 0 BEADMN C/C=C/CNCc1c(Cl)n(C)nc1CC ZINC000858291097 588942310 /nfs/dbraw/zinc/94/23/10/588942310.db2.gz NKYHTIZGZYGUBX-GQCTYLIASA-N 0 1 227.739 2.302 20 0 BEADMN C/C=C/COC(=O)c1cccc2[nH]ncc21 ZINC000729076258 583951995 /nfs/dbraw/zinc/95/19/95/583951995.db2.gz OMBHOMDVEGUQTB-NSCUHMNNSA-N 0 1 216.240 2.296 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729091355 583955815 /nfs/dbraw/zinc/95/58/15/583955815.db2.gz FAYKGIXHGWTKMU-BDAKNGLRSA-N 0 1 246.266 2.483 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897564876 584019050 /nfs/dbraw/zinc/01/90/50/584019050.db2.gz CPEZUUGEHZIHKS-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CCn1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)nn1 ZINC000897570114 584019468 /nfs/dbraw/zinc/01/94/68/584019468.db2.gz OBGVMLMRRFDJTG-LLVKDONJSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN2CC3(CCC3)C[C@H]2C)nn1 ZINC000897570114 584019470 /nfs/dbraw/zinc/01/94/70/584019470.db2.gz OBGVMLMRRFDJTG-LLVKDONJSA-N 0 1 234.347 2.063 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCCC(C)(F)F ZINC000897868838 584055266 /nfs/dbraw/zinc/05/52/66/584055266.db2.gz CTTNTVLJZQLBLB-SECBINFHSA-N 0 1 248.317 2.021 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@@H]3CCC[C@H]23)no1 ZINC000897957966 584066347 /nfs/dbraw/zinc/06/63/47/584066347.db2.gz FTEWKDCTEOBDPY-TVYUQYBPSA-N 0 1 236.315 2.099 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]3CCC[C@@H]32)no1 ZINC000897958132 584066509 /nfs/dbraw/zinc/06/65/09/584066509.db2.gz HNLJQQLYGZXBTA-ADEWGFFLSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000897958809 584066731 /nfs/dbraw/zinc/06/67/31/584066731.db2.gz NVAODWOQYUCDFF-GARJFASQSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000897958811 584066923 /nfs/dbraw/zinc/06/69/23/584066923.db2.gz NVAODWOQYUCDFF-HBNTYKKESA-N 0 1 206.289 2.261 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1ncc[nH]1)OCC ZINC000858451061 588955801 /nfs/dbraw/zinc/95/58/01/588955801.db2.gz MTLNGOMGPBLPRJ-WDEREUQCSA-N 0 1 225.336 2.266 20 0 BEADMN Cn1cccc1CN1CC(Cc2ccoc2)C1 ZINC000898161829 584088177 /nfs/dbraw/zinc/08/81/77/584088177.db2.gz IJZMXHZQGAKBDR-UHFFFAOYSA-N 0 1 230.311 2.293 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1F ZINC000898189116 584095038 /nfs/dbraw/zinc/09/50/38/584095038.db2.gz XCCKARRQJOIHBO-BYNSBNAKSA-N 0 1 249.329 2.195 20 0 BEADMN O[C@@H]1CCN(Cc2cccc3cc[nH]c32)C[C@H]1F ZINC000898192850 584095476 /nfs/dbraw/zinc/09/54/76/584095476.db2.gz MGMNIHDMWJSWEI-CHWSQXEVSA-N 0 1 248.301 2.073 20 0 BEADMN O[C@H]1CCN(Cc2cccc3[nH]ccc32)C[C@H]1F ZINC000898192433 584095517 /nfs/dbraw/zinc/09/55/17/584095517.db2.gz IUUZIFHJGPDZHN-OCCSQVGLSA-N 0 1 248.301 2.073 20 0 BEADMN O[C@@H]1CCN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC000898192855 584095637 /nfs/dbraw/zinc/09/56/37/584095637.db2.gz MGMNIHDMWJSWEI-QWHCGFSZSA-N 0 1 248.301 2.073 20 0 BEADMN c1c(CN[C@@H]2COC[C@@H]2C2CC2)onc1C1CC1 ZINC000898375672 584113530 /nfs/dbraw/zinc/11/35/30/584113530.db2.gz GKSACFNXYOJCMN-TZMCWYRMSA-N 0 1 248.326 2.067 20 0 BEADMN COCCCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866214582 584116703 /nfs/dbraw/zinc/11/67/03/584116703.db2.gz QAALTJFXRLRGIB-WCQYABFASA-N 0 1 239.290 2.084 20 0 BEADMN CC[C@@H](C(=O)Nc1cncc(C(C)C)c1)N(C)C ZINC000888235655 584118864 /nfs/dbraw/zinc/11/88/64/584118864.db2.gz UIKQKDCDJBGQRF-ZDUSSCGKSA-N 0 1 249.358 2.484 20 0 BEADMN CCn1cc(CNC/C=C\Cl)c(C)n1 ZINC000898428367 584132961 /nfs/dbraw/zinc/13/29/61/584132961.db2.gz OAKWZNANSMUEMN-PLNGDYQASA-N 0 1 213.712 2.054 20 0 BEADMN Cl/C=C/CNCc1ccnn1C1CCC1 ZINC000898429479 584133848 /nfs/dbraw/zinc/13/38/48/584133848.db2.gz UYZDCMCWAVCVEL-QHHAFSJGSA-N 0 1 225.723 2.450 20 0 BEADMN Cn1ncc(C2CC2)c1CNC/C=C/Cl ZINC000898430318 584134268 /nfs/dbraw/zinc/13/42/68/584134268.db2.gz YOFCTMADHQPJDD-GORDUTHDSA-N 0 1 225.723 2.140 20 0 BEADMN Cc1nc(F)ccc1CNC/C=C\Cl ZINC000898433989 584135321 /nfs/dbraw/zinc/13/53/21/584135321.db2.gz RADJLJRUMVYSPF-DJWKRKHSSA-N 0 1 214.671 2.371 20 0 BEADMN CC(C)n1cc(CNC/C=C\Cl)cn1 ZINC000898435636 584135700 /nfs/dbraw/zinc/13/57/00/584135700.db2.gz KLRRSXVFIMUAOD-ARJAWSKDSA-N 0 1 213.712 2.306 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@@H]1CC12CC2 ZINC000898576714 584143040 /nfs/dbraw/zinc/14/30/40/584143040.db2.gz RTKRHVJZQNKCIA-JTQLQIEISA-N 0 1 221.231 2.036 20 0 BEADMN C[C@H]1CC=C(C(=O)N2CC(N3CCCC3)C2)CC1 ZINC000898600863 584145186 /nfs/dbraw/zinc/14/51/86/584145186.db2.gz GWEVIVXTTNBZQU-LBPRGKRZSA-N 0 1 248.370 2.039 20 0 BEADMN CCC(=CC(=O)N1CCC[C@H]1c1nnc[nH]1)CC ZINC000899104566 584175498 /nfs/dbraw/zinc/17/54/98/584175498.db2.gz SLHDXUAQUDCEDM-NSHDSACASA-N 0 1 248.330 2.215 20 0 BEADMN O=C(NC[C@H]1C=CCC1)[C@@H]1CCN1C1CCCC1 ZINC000899198971 584180247 /nfs/dbraw/zinc/18/02/47/584180247.db2.gz CREUPCAXKOPIGO-JSGCOSHPSA-N 0 1 248.370 2.086 20 0 BEADMN CCc1ccc2nc(-c3cn(CC)nn3)[nH]c2c1 ZINC000899259769 584189846 /nfs/dbraw/zinc/18/98/46/584189846.db2.gz QTNQGJPSKKWKPH-UHFFFAOYSA-N 0 1 241.298 2.404 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1[C@H]1CCCSC1 ZINC000899357784 584205927 /nfs/dbraw/zinc/20/59/27/584205927.db2.gz MZZZWHXKPDLXLM-NSHDSACASA-N 0 1 238.356 2.270 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1C1CCSCC1 ZINC000899358401 584206228 /nfs/dbraw/zinc/20/62/28/584206228.db2.gz XKGGFTCYFDSBOB-UHFFFAOYSA-N 0 1 238.356 2.270 20 0 BEADMN CCCc1cc(=O)n(C2C[C@@H](C)O[C@H](C)C2)[nH]1 ZINC000899360423 584206799 /nfs/dbraw/zinc/20/67/99/584206799.db2.gz MNGOHFPIKIZZII-NXEZZACHSA-N 0 1 238.331 2.331 20 0 BEADMN Cc1cc(=O)n(C2CCC(F)(F)CC2)[nH]1 ZINC000899365721 584207825 /nfs/dbraw/zinc/20/78/25/584207825.db2.gz AYWRYFYNICNLBF-UHFFFAOYSA-N 0 1 216.231 2.173 20 0 BEADMN Cc1[nH]n(C2CCC(F)(F)CC2)c(=O)c1C ZINC000899366260 584208516 /nfs/dbraw/zinc/20/85/16/584208516.db2.gz JONLHYUGZQXVHP-ZETCQYMHSA-N 0 1 230.258 2.419 20 0 BEADMN CN(CC(=O)NC1CCC=CCC1)C1CCC1 ZINC000899805773 584238349 /nfs/dbraw/zinc/23/83/49/584238349.db2.gz VXECROUWFLWHKH-UHFFFAOYSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1noc([C@@H]2NCC[C@@H]3CCCC[C@@H]23)n1 ZINC000899992955 584262993 /nfs/dbraw/zinc/26/29/93/584262993.db2.gz GHUMMTDYWUDLKC-HBNTYKKESA-N 0 1 221.304 2.219 20 0 BEADMN C[C@@]1(c2nc([C@H]3CCCN3)no2)C=CCC1 ZINC000900010856 584265644 /nfs/dbraw/zinc/26/56/44/584265644.db2.gz XWRFWVBGOIWELC-BXKDBHETSA-N 0 1 219.288 2.102 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC000900096768 584273812 /nfs/dbraw/zinc/27/38/12/584273812.db2.gz ORAWCCFGWMHWJW-VIFPVBQESA-N 0 1 241.310 2.493 20 0 BEADMN CCN(C(=O)Cc1cnc[nH]1)c1ccc(C)cc1 ZINC000900152509 584282282 /nfs/dbraw/zinc/28/22/82/584282282.db2.gz FAKFJXGBKBASHK-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN C[C@@H]1CN(C(=O)Cc2cnc[nH]2)c2ccccc21 ZINC000900218991 584286956 /nfs/dbraw/zinc/28/69/56/584286956.db2.gz PLUNAGYXNLXTAI-SNVBAGLBSA-N 0 1 241.294 2.103 20 0 BEADMN Cc1ccc(N(C)C(=O)Cc2cnc[nH]2)cc1C ZINC000900290527 584291632 /nfs/dbraw/zinc/29/16/32/584291632.db2.gz OMQSBMNTFFOZQQ-UHFFFAOYSA-N 0 1 243.310 2.232 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCC[C@H]1C1CCCC1 ZINC000900312250 584293871 /nfs/dbraw/zinc/29/38/71/584293871.db2.gz ASTCMZSXNPSKOJ-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN CC[C@]1(C(=O)[O-])CCCN(c2cc(C)cc[nH+]2)C1 ZINC000900376779 584299188 /nfs/dbraw/zinc/29/91/88/584299188.db2.gz WYFZBJMRAMKGOE-AWEZNQCLSA-N 0 1 248.326 2.471 20 0 BEADMN CN(CCC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC000900495356 584317218 /nfs/dbraw/zinc/31/72/18/584317218.db2.gz OTAITGYKELXSLR-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900566997 584326376 /nfs/dbraw/zinc/32/63/76/584326376.db2.gz TXVKEJCSBMYRFP-OLZOCXBDSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900566999 584326423 /nfs/dbraw/zinc/32/64/23/584326423.db2.gz TXVKEJCSBMYRFP-STQMWFEESA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900572874 584326864 /nfs/dbraw/zinc/32/68/64/584326864.db2.gz JGQSWGVWPGEUQU-RYUDHWBXSA-N 0 1 249.358 2.283 20 0 BEADMN CNCc1cn(Cc2ccccc2C(C)C)nn1 ZINC000900609903 584331092 /nfs/dbraw/zinc/33/10/92/584331092.db2.gz JIMRTIZTFPRQOA-UHFFFAOYSA-N 0 1 244.342 2.169 20 0 BEADMN CCCCN(C(=O)Cc1c[nH]cn1)[C@@H](C)CC ZINC000900631505 584334061 /nfs/dbraw/zinc/33/40/61/584334061.db2.gz MBPUDFIECIBZSN-NSHDSACASA-N 0 1 237.347 2.379 20 0 BEADMN C[C@H]1CCCC[C@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000900718086 584344526 /nfs/dbraw/zinc/34/45/26/584344526.db2.gz JSPLGRJNYUDVJZ-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1[nH]ncc1F ZINC000900738362 584347847 /nfs/dbraw/zinc/34/78/47/584347847.db2.gz FQMDYJGRACUTBU-MBTKJCJQSA-N 0 1 239.294 2.103 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC2(C)C)C1 ZINC000900786215 584351489 /nfs/dbraw/zinc/35/14/89/584351489.db2.gz BUTAGSOUCBMPER-GXSJLCMTSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC2(C)C)C1 ZINC000900786217 584351689 /nfs/dbraw/zinc/35/16/89/584351689.db2.gz BUTAGSOUCBMPER-MWLCHTKSSA-N 0 1 247.342 2.087 20 0 BEADMN CCCC[C@@H](CCC)NC(=O)Cc1cnc[nH]1 ZINC000900953025 584366549 /nfs/dbraw/zinc/36/65/49/584366549.db2.gz AIKYSGMNEAIFQE-LLVKDONJSA-N 0 1 237.347 2.427 20 0 BEADMN O=C([O-])[C@@H]1CCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000900978303 584371067 /nfs/dbraw/zinc/37/10/67/584371067.db2.gz FINSYKARUUPHQD-BDAKNGLRSA-N 0 1 245.282 2.228 20 0 BEADMN Cc1nc(CNC(=O)C=CC2CCCC2)[nH]c1C ZINC000901001014 584373339 /nfs/dbraw/zinc/37/33/39/584373339.db2.gz QLTMUYOQVATGOG-BQYQJAHWSA-N 0 1 247.342 2.389 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901116295 584385821 /nfs/dbraw/zinc/38/58/21/584385821.db2.gz CNWCWENLMMTZSY-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1c(C)n[nH]c1Cl ZINC000901118713 584386540 /nfs/dbraw/zinc/38/65/40/584386540.db2.gz SZCZEQFOYJYIHF-ZCFIWIBFSA-N 0 1 245.710 2.174 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000901451960 584443596 /nfs/dbraw/zinc/44/35/96/584443596.db2.gz CPQKDXFJXGLCNX-CYBMUJFWSA-N 0 1 244.294 2.217 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cs1 ZINC000901515575 584461664 /nfs/dbraw/zinc/46/16/64/584461664.db2.gz MZPUIQOEQPWVSC-LLVKDONJSA-N 0 1 243.303 2.055 20 0 BEADMN CC[N@H+](CCC(=O)[O-])Cc1nc(Cl)cs1 ZINC000901601900 584468352 /nfs/dbraw/zinc/46/83/52/584468352.db2.gz NDCDFTCJYUGTBV-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1nc(Cl)cs1 ZINC000901601900 584468354 /nfs/dbraw/zinc/46/83/54/584468354.db2.gz NDCDFTCJYUGTBV-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@H](C)C(=O)[O-])c(C)o1 ZINC000901597457 584468533 /nfs/dbraw/zinc/46/85/33/584468533.db2.gz HZNITJCLXDMDLL-QMMMGPOBSA-N 0 1 225.288 2.049 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000901605103 584468915 /nfs/dbraw/zinc/46/89/15/584468915.db2.gz HFSWDFXGVDBIJM-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901892077 584501972 /nfs/dbraw/zinc/50/19/72/584501972.db2.gz ZIUWIWWFNFJPIC-UTUOFQBUSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[N@H+]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000901888108 584503105 /nfs/dbraw/zinc/50/31/05/584503105.db2.gz QEPCPLCOHNCYAQ-KBPBESRZSA-N 0 1 247.338 2.443 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1C1CC1 ZINC000901904873 584505456 /nfs/dbraw/zinc/50/54/56/584505456.db2.gz SVQOYOJMZVPJSQ-KWCYVHTRSA-N 0 1 249.354 2.385 20 0 BEADMN COc1cc(C[N@@H+](CC(=O)[O-])C2CC2)ccc1C ZINC000901976313 584509465 /nfs/dbraw/zinc/50/94/65/584509465.db2.gz USBYDPXIODAZHX-UHFFFAOYSA-N 0 1 249.310 2.053 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000901975061 584509543 /nfs/dbraw/zinc/50/95/43/584509543.db2.gz MYGSVBOPCSFOTF-UHFFFAOYSA-N 0 1 244.294 2.217 20 0 BEADMN Cc1cnccc1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901995118 584511284 /nfs/dbraw/zinc/51/12/84/584511284.db2.gz XMTUTSKZZRWCRP-LLVKDONJSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000901980134 584511691 /nfs/dbraw/zinc/51/16/91/584511691.db2.gz PUVNHWQAYVBNAJ-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901980711 584511766 /nfs/dbraw/zinc/51/17/66/584511766.db2.gz XAYGLVLJYQIBJE-ZKQHCESOSA-N 0 1 233.311 2.495 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901980425 584511926 /nfs/dbraw/zinc/51/19/26/584511926.db2.gz UMCZMHFSJNRFRH-SRVKXCTJSA-N 0 1 225.332 2.384 20 0 BEADMN CC1=C[C@H](C)C[C@@H](C[N@H+](C)[C@@H](C)C(=O)[O-])C1 ZINC000901980116 584512011 /nfs/dbraw/zinc/51/20/11/584512011.db2.gz PMANARAYNPYRRA-ZMLRMANQSA-N 0 1 225.332 2.384 20 0 BEADMN CCC[C@@H](C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])OC ZINC000902018544 584513701 /nfs/dbraw/zinc/51/37/01/584513701.db2.gz CGFLUULKTQBXJF-RYUDHWBXSA-N 0 1 245.363 2.233 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2O)[C@H](C(=O)[O-])C1 ZINC000902018906 584513881 /nfs/dbraw/zinc/51/38/81/584513881.db2.gz VLZCEUFDAMJPFU-JQWIXIFHSA-N 0 1 249.310 2.077 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2O)[C@H](C(=O)[O-])C1 ZINC000902018908 584513924 /nfs/dbraw/zinc/51/39/24/584513924.db2.gz VLZCEUFDAMJPFU-PWSUYJOCSA-N 0 1 249.310 2.077 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@@H]1C ZINC000902021570 584514450 /nfs/dbraw/zinc/51/44/50/584514450.db2.gz DIOSKTOIUXLJKV-AXFHLTTASA-N 0 1 213.321 2.074 20 0 BEADMN CC(C)c1noc([N-]Cc2[nH+]ccn2C2CC2)n1 ZINC000902050541 584517457 /nfs/dbraw/zinc/51/74/57/584517457.db2.gz SYLDABZKCQWGJC-UHFFFAOYSA-N 0 1 247.302 2.337 20 0 BEADMN CCNc1ccccc1CNCc1ccnn1C ZINC000902065081 584522149 /nfs/dbraw/zinc/52/21/49/584522149.db2.gz ZZFAHZFZXWRZQK-UHFFFAOYSA-N 0 1 244.342 2.142 20 0 BEADMN CNc1ccc(C)cc1CNCc1c[nH]nc1C ZINC000902065007 584522305 /nfs/dbraw/zinc/52/23/05/584522305.db2.gz XNRFKIKZZBEBAU-UHFFFAOYSA-N 0 1 244.342 2.358 20 0 BEADMN CCCOC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000859010207 588990877 /nfs/dbraw/zinc/99/08/77/588990877.db2.gz CYHBPUYESDNVQI-RYUDHWBXSA-N 0 1 242.363 2.338 20 0 BEADMN C[C@@H]1CC[N@@H+](CN2Cc3ccccc3C2=O)[C@H]1C ZINC000902168253 584534234 /nfs/dbraw/zinc/53/42/34/584534234.db2.gz CUIIGSRTNKAHAF-NEPJUHHUSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@@H]1CCN(CN2Cc3ccccc3C2=O)[C@H]1C ZINC000902168253 584534236 /nfs/dbraw/zinc/53/42/36/584534236.db2.gz CUIIGSRTNKAHAF-NEPJUHHUSA-N 0 1 244.338 2.330 20 0 BEADMN CCC(N)=NOCc1ccc(OC)c(C)c1 ZINC000902218528 584539651 /nfs/dbraw/zinc/53/96/51/584539651.db2.gz JRSDYJOQCVCBDO-UHFFFAOYSA-N 0 1 222.288 2.412 20 0 BEADMN CCc1oc(C[N@H+]2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000902240688 584540812 /nfs/dbraw/zinc/54/08/12/584540812.db2.gz PDIZJYOEVHYSJE-VIFPVBQESA-N 0 1 237.299 2.382 20 0 BEADMN CC(C)(C)C[C@H]1CCN(CN2CCOC2=O)C1 ZINC000902290367 584548549 /nfs/dbraw/zinc/54/85/49/584548549.db2.gz IADWNQAISFESRI-LLVKDONJSA-N 0 1 240.347 2.154 20 0 BEADMN C/C=C/C[C@H]1CCCN(CN2CCOC2=O)C1 ZINC000902346790 584559226 /nfs/dbraw/zinc/55/92/26/584559226.db2.gz QSEZGXFOQUTNQS-JDGPPOGSSA-N 0 1 238.331 2.074 20 0 BEADMN Cc1cn[nH]c1CSCc1nnc(C)s1 ZINC000902357547 584570091 /nfs/dbraw/zinc/57/00/91/584570091.db2.gz URPHLQNJKGVVJG-UHFFFAOYSA-N 0 1 240.357 2.311 20 0 BEADMN CNc1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000902416421 584590307 /nfs/dbraw/zinc/59/03/07/584590307.db2.gz NZHCSJBJOBGVTI-JTQLQIEISA-N 0 1 230.315 2.302 20 0 BEADMN Cc1cn[nH]c1CSCc1conc1C ZINC000902416015 584590589 /nfs/dbraw/zinc/59/05/89/584590589.db2.gz DHMGCGJGMMTVEW-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN CNc1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000902416422 584590631 /nfs/dbraw/zinc/59/06/31/584590631.db2.gz NZHCSJBJOBGVTI-SNVBAGLBSA-N 0 1 230.315 2.302 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902525167 584632408 /nfs/dbraw/zinc/63/24/08/584632408.db2.gz RNLWNZRGPDHXMZ-WAYWQWQTSA-N 0 1 235.283 2.362 20 0 BEADMN CCn1cnc(CNC[C@H](CC(C)C)OC)c1 ZINC000902599779 584640583 /nfs/dbraw/zinc/64/05/83/584640583.db2.gz JTWYGOXGRDQEFM-ZDUSSCGKSA-N 0 1 239.363 2.054 20 0 BEADMN CCC(N)=NOCc1coc(C(C)(C)C)n1 ZINC000902700325 584654795 /nfs/dbraw/zinc/65/47/95/584654795.db2.gz ZNQVDXAGRBRTDZ-UHFFFAOYSA-N 0 1 225.292 2.381 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cn(C)nn1 ZINC000902872106 584684201 /nfs/dbraw/zinc/68/42/01/584684201.db2.gz CPXPEMRETWRSGY-WCFLWFBJSA-N 0 1 248.374 2.435 20 0 BEADMN Cc1cccc(NC(=O)NC[C@@H]2CCN2C)c1C ZINC000902932093 584699130 /nfs/dbraw/zinc/69/91/30/584699130.db2.gz ACIALOLWFNCUQP-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN F[C@@H]1CCCN(CCN2CCc3ccccc32)C1 ZINC000902991874 584709976 /nfs/dbraw/zinc/70/99/76/584709976.db2.gz DHYJWVSCWNVLLT-CQSZACIVSA-N 0 1 248.345 2.483 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000902991334 584710109 /nfs/dbraw/zinc/71/01/09/584710109.db2.gz ORSJTAITGJFJPK-FRRDWIJNSA-N 0 1 227.323 2.378 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1noc2ccccc12 ZINC000903195788 584734488 /nfs/dbraw/zinc/73/44/88/584734488.db2.gz ARDRZGYGHJPNLD-BXUZGUMPSA-N 0 1 246.310 2.485 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903224007 584738374 /nfs/dbraw/zinc/73/83/74/584738374.db2.gz OOTVHFHBWBGJRR-YNEHKIRRSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(CO)on1 ZINC000903318273 584750503 /nfs/dbraw/zinc/75/05/03/584750503.db2.gz PUJGIEIEAHWIOV-FIQUKUQUSA-N 0 1 236.315 2.006 20 0 BEADMN c1cnc([C@H](N[C@H]2CCSC2)C2CC2)nc1 ZINC000903333866 584751247 /nfs/dbraw/zinc/75/12/47/584751247.db2.gz ULSNUGQJVBRQBH-WDEREUQCSA-N 0 1 235.356 2.023 20 0 BEADMN Cc1nc([C@@H](C)NC2CC(CCO)C2)cs1 ZINC000903328473 584753375 /nfs/dbraw/zinc/75/33/75/584753375.db2.gz APFXURYOZKYZIX-MFAVDMRSSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2ncccn2)C2CC2)[C@@H](C)O1 ZINC000903325812 584753558 /nfs/dbraw/zinc/75/35/58/584753558.db2.gz VLCOAYJZPWMUGR-AAXDQBDMSA-N 0 1 247.342 2.083 20 0 BEADMN CCN(Cc1cc(Cl)n(C)n1)CC1CC1 ZINC000859137889 589007909 /nfs/dbraw/zinc/00/79/09/589007909.db2.gz VPTNUMQTWNZXDE-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN C[C@@H]1COC[C@H]1N[C@H]1CCCc2scnc21 ZINC000903393799 584756361 /nfs/dbraw/zinc/75/63/61/584756361.db2.gz TWFPKQGIGQKXLG-KXUCPTDWSA-N 0 1 238.356 2.145 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000903411109 584759455 /nfs/dbraw/zinc/75/94/55/584759455.db2.gz KETLMQZHUMULIQ-GWCFXTLKSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@H](NC1(C)C(C)(C)C1(C)C)c1cn(C)nn1 ZINC000903441683 584761582 /nfs/dbraw/zinc/76/15/82/584761582.db2.gz CNXAITHLMQZSFM-VIFPVBQESA-N 0 1 236.363 2.290 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2COC[C@@H]2C2CC2)no1 ZINC000903434701 584761904 /nfs/dbraw/zinc/76/19/04/584761904.db2.gz AJQWTDAOXLTUNL-NDMJEZRESA-N 0 1 236.315 2.059 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2COC[C@H]2C2CC2)no1 ZINC000903434700 584762324 /nfs/dbraw/zinc/76/23/24/584762324.db2.gz AJQWTDAOXLTUNL-GAFUQQFSSA-N 0 1 236.315 2.059 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2NC/C=C/Cl ZINC000903444630 584769428 /nfs/dbraw/zinc/76/94/28/584769428.db2.gz PQNFVVYQTKAYBR-QLCVYAKKSA-N 0 1 225.723 2.140 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903608207 584784858 /nfs/dbraw/zinc/78/48/58/584784858.db2.gz HLHZQENQDKXELR-MXWKQRLJSA-N 0 1 225.332 2.360 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000903591679 584785040 /nfs/dbraw/zinc/78/50/40/584785040.db2.gz RDBPTELHWIVQGL-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903595027 584785550 /nfs/dbraw/zinc/78/55/50/584785550.db2.gz IOKWPXTUIIIMSO-ZJUUUORDSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000903597435 584786138 /nfs/dbraw/zinc/78/61/38/584786138.db2.gz LWUSMFXVYFPTPI-ONGXEEELSA-N 0 1 213.321 2.218 20 0 BEADMN CC[N@@H+](CC[C@H]1CCCC1(F)F)CC(=O)[O-] ZINC000903596554 584786178 /nfs/dbraw/zinc/78/61/78/584786178.db2.gz QBPZQNHXINJQJH-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000903597434 584786191 /nfs/dbraw/zinc/78/61/91/584786191.db2.gz LWUSMFXVYFPTPI-MWLCHTKSSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])CC1(C[N@H+](CC(F)F)C2CCC2)CC1 ZINC000903625716 584787530 /nfs/dbraw/zinc/78/75/30/584787530.db2.gz QAISVXZEPBICRJ-UHFFFAOYSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])CC1(C[N@@H+](CC(F)F)C2CCC2)CC1 ZINC000903625716 584787531 /nfs/dbraw/zinc/78/75/31/584787531.db2.gz QAISVXZEPBICRJ-UHFFFAOYSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000903693916 584789696 /nfs/dbraw/zinc/78/96/96/584789696.db2.gz QKTUKAWLCUHULF-LBPRGKRZSA-N 0 1 237.274 2.063 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695683 584789787 /nfs/dbraw/zinc/78/97/87/584789787.db2.gz GFUJXSNYCYIOGM-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)C(C)C ZINC000903697085 584789927 /nfs/dbraw/zinc/78/99/27/584789927.db2.gz QOHQYJPAOZOUMO-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC1CC(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000903702091 584790435 /nfs/dbraw/zinc/79/04/35/584790435.db2.gz PNEJUBSDFIYHQT-POSLAHMBSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000903702995 584790555 /nfs/dbraw/zinc/79/05/55/584790555.db2.gz OFCVPIDQYABSHW-HTAVTVPLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CSCCC[N@H+]1CCCCC(=O)[O-] ZINC000903708521 584791230 /nfs/dbraw/zinc/79/12/30/584791230.db2.gz YIIRYQVOSDEXLT-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CC[C@]1(C)CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903891206 584814094 /nfs/dbraw/zinc/81/40/94/584814094.db2.gz LNOOEESUKSAGAR-DMDPSCGWSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC2(C1)CCCCC2 ZINC000903894088 584819078 /nfs/dbraw/zinc/81/90/78/584819078.db2.gz OADIYRXGJFWMPO-NWDGAFQWSA-N 0 1 237.343 2.363 20 0 BEADMN COC/C(C)=C\C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000903901408 584820240 /nfs/dbraw/zinc/82/02/40/584820240.db2.gz IITYRMPFJJSQTF-HUMZTAOYSA-N 0 1 243.347 2.010 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1cccc(F)c1 ZINC000903900496 584820627 /nfs/dbraw/zinc/82/06/27/584820627.db2.gz JRJKZLNLIFJZEH-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])C1 ZINC000903903131 584821024 /nfs/dbraw/zinc/82/10/24/584821024.db2.gz AIXSJJSPELRYND-WNYYMSAVSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2[C@@H]1C=CCCC1 ZINC000903936410 584825467 /nfs/dbraw/zinc/82/54/67/584825467.db2.gz JHJRFTOUZRIWQB-WZRBSPASSA-N 0 1 221.300 2.034 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000903934656 584825792 /nfs/dbraw/zinc/82/57/92/584825792.db2.gz QTWYSAIFWVDATN-XJFOESAGSA-N 0 1 249.354 2.218 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2Cc1ccccc1F ZINC000903938173 584826371 /nfs/dbraw/zinc/82/63/71/584826371.db2.gz CMGJCSHOSXILBC-RISCZKNCSA-N 0 1 249.285 2.265 20 0 BEADMN CC[C@H](C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957463 584827731 /nfs/dbraw/zinc/82/77/31/584827731.db2.gz PZWYPHJLRPWGJC-JTQLQIEISA-N 0 1 249.310 2.378 20 0 BEADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)nc1 ZINC000904077343 584839691 /nfs/dbraw/zinc/83/96/91/584839691.db2.gz USERVSVHQRYRST-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@@H]2C[C@H]2C)no1 ZINC000904096505 584842520 /nfs/dbraw/zinc/84/25/20/584842520.db2.gz JHLSPZYCZKQFBE-BBBLOLIVSA-N 0 1 223.320 2.500 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2(F)CC2)C1 ZINC000904401149 584878499 /nfs/dbraw/zinc/87/84/99/584878499.db2.gz NFGSHSROYSAFDK-LLVKDONJSA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)Cc1noc(-c2cccc3[nH]nnc32)n1 ZINC000904414030 584879554 /nfs/dbraw/zinc/87/95/54/584879554.db2.gz CAJHMCPOTKKMBK-UHFFFAOYSA-N 0 1 243.270 2.206 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CN2CCCC2)[C@@H](C)C1 ZINC000874472016 584882708 /nfs/dbraw/zinc/88/27/08/584882708.db2.gz UGWWZJPSTKABOU-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC/C=C(/F)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827491136 584899126 /nfs/dbraw/zinc/89/91/26/584899126.db2.gz MNVJHMOTZZPERM-IGEMTJHASA-N 0 1 242.338 2.048 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N[C@@H]1CCCN(C)C1 ZINC000830151461 584908289 /nfs/dbraw/zinc/90/82/89/584908289.db2.gz WGQODYBBKGNTBU-VXGBXAGGSA-N 0 1 242.363 2.241 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000731865806 584930131 /nfs/dbraw/zinc/93/01/31/584930131.db2.gz JBQSPEDOKAJLNG-CYBMUJFWSA-N 0 1 238.375 2.263 20 0 BEADMN CSCC[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000835814461 584933405 /nfs/dbraw/zinc/93/34/05/584933405.db2.gz ZGJNWWQEZOLYEY-MNOVXSKESA-N 0 1 247.404 2.257 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(C2CC2)cn1)N(C)C ZINC000888280096 584936972 /nfs/dbraw/zinc/93/69/72/584936972.db2.gz AVVUQLWAFURVAX-LBPRGKRZSA-N 0 1 247.342 2.238 20 0 BEADMN CCc1cc(CNC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC000732790876 584940683 /nfs/dbraw/zinc/94/06/83/584940683.db2.gz JYKNCHZFYKMYOC-VIFPVBQESA-N 0 1 235.331 2.025 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1cc(CC)[nH]n1 ZINC000732788118 584940808 /nfs/dbraw/zinc/94/08/08/584940808.db2.gz GAINUKKWIDQPKC-YFHOEESVSA-N 0 1 235.331 2.335 20 0 BEADMN CCc1cc(CNC(=O)CCC(C)(F)F)n[nH]1 ZINC000732794795 584940948 /nfs/dbraw/zinc/94/09/48/584940948.db2.gz DPCPDDRRUUOBDU-UHFFFAOYSA-N 0 1 245.273 2.024 20 0 BEADMN CCc1cc(CNC(=O)c2ccc(C)cc2)n[nH]1 ZINC000732791444 584941166 /nfs/dbraw/zinc/94/11/66/584941166.db2.gz AOVCAIMHINFZCC-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2ccsc2)n[nH]1 ZINC000733285552 584945681 /nfs/dbraw/zinc/94/56/81/584945681.db2.gz FHXATCFMZVVUNT-NSCUHMNNSA-N 0 1 247.323 2.109 20 0 BEADMN CCCCN(CN1C[C@H](C)CC1=O)C1CC1 ZINC000733291297 584946085 /nfs/dbraw/zinc/94/60/85/584946085.db2.gz FLBMULLGVNNLQC-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN CCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767807445 584947229 /nfs/dbraw/zinc/94/72/29/584947229.db2.gz YVWOLBATVPCTQD-UHFFFAOYSA-N 0 1 245.282 2.429 20 0 BEADMN CCN(C(=O)Cc1ccn[nH]1)[C@@H]1CCCC[C@H]1C ZINC000174532499 584948355 /nfs/dbraw/zinc/94/83/55/584948355.db2.gz BYRGDZDVKUIFLD-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(Cl)nc1 ZINC000733805015 584953349 /nfs/dbraw/zinc/95/33/49/584953349.db2.gz ORVRRYZALMXTJV-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN Cc1cc(CN[C@H](C)c2c(C)noc2C)n[nH]1 ZINC000733798281 584953552 /nfs/dbraw/zinc/95/35/52/584953552.db2.gz NQBOFDSTWOCPOH-MRVPVSSYSA-N 0 1 234.303 2.174 20 0 BEADMN CC(C)(C)CCCC(=O)OCCc1c[nH]nn1 ZINC000734383188 584961733 /nfs/dbraw/zinc/96/17/33/584961733.db2.gz NMDTVHMHHAXTDS-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CC(C)(C)CCCC(=O)OCCc1cnn[nH]1 ZINC000734383188 584961734 /nfs/dbraw/zinc/96/17/34/584961734.db2.gz NMDTVHMHHAXTDS-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CC(C)=C(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000769324935 584962646 /nfs/dbraw/zinc/96/26/46/584962646.db2.gz HPXKNAWDKRPSCM-VIFPVBQESA-N 0 1 235.331 2.122 20 0 BEADMN C[C@H]1CCC[C@@H](CC(=O)OCc2c[nH]nn2)C1 ZINC000734518877 584963529 /nfs/dbraw/zinc/96/35/29/584963529.db2.gz NCECVXOEMCTZAI-VHSXEESVSA-N 0 1 237.303 2.064 20 0 BEADMN CCc1noc(C)c1[C@H](C)NCc1cc(C)[nH]n1 ZINC000769875926 584973521 /nfs/dbraw/zinc/97/35/21/584973521.db2.gz QBUMCESFCJVWGT-VIFPVBQESA-N 0 1 248.330 2.428 20 0 BEADMN Cc1nonc1CN1CCCC[C@H]1C(C)C ZINC000735311786 584975366 /nfs/dbraw/zinc/97/53/66/584975366.db2.gz SXFKROSKNCNMEA-LBPRGKRZSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1cc(CNC(=O)/C=C/C2CCCCC2)n[nH]1 ZINC000735472507 584977471 /nfs/dbraw/zinc/97/74/71/584977471.db2.gz RTDHNQNZXDGMTI-BQYQJAHWSA-N 0 1 247.342 2.471 20 0 BEADMN CCOCCCOC(=O)c1cccc2[nH]ncc21 ZINC000735601009 584980070 /nfs/dbraw/zinc/98/00/70/584980070.db2.gz BXICXAAORZXWKT-UHFFFAOYSA-N 0 1 248.282 2.146 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000736220141 584992253 /nfs/dbraw/zinc/99/22/53/584992253.db2.gz XQNMIDDVNSBTSP-ONGXEEELSA-N 0 1 237.274 2.088 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000736219206 584992525 /nfs/dbraw/zinc/99/25/25/584992525.db2.gz KTSAXESEUWXNMT-VHSXEESVSA-N 0 1 237.274 2.088 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccnc1Cl ZINC000736455274 585002901 /nfs/dbraw/zinc/00/29/01/585002901.db2.gz YOWTWXCRTDSEQP-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)[C@@H](NC(=O)C(F)(F)F)c1ccccn1 ZINC000736571799 585006433 /nfs/dbraw/zinc/00/64/33/585006433.db2.gz HZDNOEODDXZUME-SECBINFHSA-N 0 1 246.232 2.457 20 0 BEADMN CC(C)c1cnc(CN[C@H](C)[C@H]2CCOC2)o1 ZINC000771812700 585007679 /nfs/dbraw/zinc/00/76/79/585007679.db2.gz MJVCPWQBUFXAJR-MNOVXSKESA-N 0 1 238.331 2.313 20 0 BEADMN C[C@@H]1c2ccccc2OCC[N@@H+]1CCCC(=O)[O-] ZINC000736840760 585017116 /nfs/dbraw/zinc/01/71/16/585017116.db2.gz SODDLQIOKYKXAN-LLVKDONJSA-N 0 1 249.310 2.307 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC[C@H](F)C1 ZINC000824146311 585028722 /nfs/dbraw/zinc/02/87/22/585028722.db2.gz XCOSJGMHSDMMTR-QMMMGPOBSA-N 0 1 241.237 2.105 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@@H]2CCCOC2)co1 ZINC000825062031 585029217 /nfs/dbraw/zinc/02/92/17/585029217.db2.gz NJCMHJLNNVUYJH-WDEREUQCSA-N 0 1 238.331 2.142 20 0 BEADMN C/C=C\C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737849061 585038534 /nfs/dbraw/zinc/03/85/34/585038534.db2.gz UUGUWDHFAZZBPH-IHWYPQMZSA-N 0 1 249.701 2.409 20 0 BEADMN CCn1ncc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000838792914 585068414 /nfs/dbraw/zinc/06/84/14/585068414.db2.gz AFXPSVDKSVECKH-SNVBAGLBSA-N 0 1 234.347 2.061 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000838792655 585068570 /nfs/dbraw/zinc/06/85/70/585068570.db2.gz UYZHNKQASZSTGZ-CYBMUJFWSA-N 0 1 236.363 2.309 20 0 BEADMN CCCN(Cc1cnn(CC)n1)CC(C)C ZINC000838796954 585068828 /nfs/dbraw/zinc/06/88/28/585068828.db2.gz OSAOICQSUZTAED-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN CCn1ncc(CN(C2CC2)C2CCCC2)n1 ZINC000838787826 585070263 /nfs/dbraw/zinc/07/02/63/585070263.db2.gz IBCOKBYRWXQXLR-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN CCN(Cc1cnn(CC)n1)[C@@H](C)C(C)C ZINC000838807203 585070340 /nfs/dbraw/zinc/07/03/40/585070340.db2.gz OCRCXRKOPIEREL-NSHDSACASA-N 0 1 224.352 2.164 20 0 BEADMN CC[C@H]1CCCN(Cc2cnn(CC)n2)CC1 ZINC000838839543 585073871 /nfs/dbraw/zinc/07/38/71/585073871.db2.gz FMEXMWPCCMKGQA-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN C[C@H](CC(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838906101 585077355 /nfs/dbraw/zinc/07/73/55/585077355.db2.gz ZJYVYSZJJJJMDF-SNVBAGLBSA-N 0 1 245.282 2.042 20 0 BEADMN CCn1ncc(CN[C@H](C)CCc2ccco2)n1 ZINC000838889952 585078674 /nfs/dbraw/zinc/07/86/74/585078674.db2.gz QHADUWGLCQVAQP-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)OCc1c[nH]nn1 ZINC000838897656 585079071 /nfs/dbraw/zinc/07/90/71/585079071.db2.gz PVHWXPMPTDPZRA-SNVBAGLBSA-N 0 1 239.319 2.310 20 0 BEADMN Cc1csc(CCNCc2cc(C)on2)n1 ZINC000838899711 585080041 /nfs/dbraw/zinc/08/00/41/585080041.db2.gz YXTUHYJSJURAMO-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)OCc1c[nH]nn1 ZINC000838901562 585080485 /nfs/dbraw/zinc/08/04/85/585080485.db2.gz OSHJJWLFSGKMBI-UWVGGRQHSA-N 0 1 237.303 2.064 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)OCc1c[nH]nn1 ZINC000838901559 585080500 /nfs/dbraw/zinc/08/05/00/585080500.db2.gz OSHJJWLFSGKMBI-NXEZZACHSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)(CC(F)(F)F)NCc1cnccn1 ZINC000839029191 585088263 /nfs/dbraw/zinc/08/82/63/585088263.db2.gz DZJXDRWCLYISRG-UHFFFAOYSA-N 0 1 233.237 2.297 20 0 BEADMN CCn1ncc(CN(CC2CC2)CC2CCC2)n1 ZINC000839067332 585089721 /nfs/dbraw/zinc/08/97/21/585089721.db2.gz RTWGGWKWRVBCTJ-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1ncc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000839081154 585089780 /nfs/dbraw/zinc/08/97/80/585089780.db2.gz VPTGELNMSVTMLZ-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000839081156 585089893 /nfs/dbraw/zinc/08/98/93/585089893.db2.gz VPTGELNMSVTMLZ-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1C[C@@H]2C[C@H]1CS2 ZINC000839201024 585099730 /nfs/dbraw/zinc/09/97/30/585099730.db2.gz CEIZAXHVFASOIT-CSMHCCOUSA-N 0 1 238.183 2.370 20 0 BEADMN Cc1nnc([C@H](C)N2CCCCCCC2)[nH]1 ZINC000839456405 585104946 /nfs/dbraw/zinc/10/49/46/585104946.db2.gz OMIODQWYCXNNBL-JTQLQIEISA-N 0 1 222.336 2.440 20 0 BEADMN C[C@@H]1C[C@H](C)CN1CC(=O)OCc1ccccc1 ZINC000740884266 585107802 /nfs/dbraw/zinc/10/78/02/585107802.db2.gz SWYQAJACCCLJFT-QWHCGFSZSA-N 0 1 247.338 2.460 20 0 BEADMN CC[C@@H](C(=O)OCC(C)C)N(CC)CC ZINC000741032920 585109298 /nfs/dbraw/zinc/10/92/98/585109298.db2.gz LHSSMXKBWMAVEB-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@@H](CC)N(CC)CC ZINC000741032561 585109312 /nfs/dbraw/zinc/10/93/12/585109312.db2.gz HCTCOOJAJQKUAI-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000741689728 585116573 /nfs/dbraw/zinc/11/65/73/585116573.db2.gz FMAXFDNXUFHDTO-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000741779421 585118187 /nfs/dbraw/zinc/11/81/87/585118187.db2.gz OJYSEGZDEYDSAT-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCN(CC)[C@H](C)C(=O)OCCC ZINC000741781255 585118590 /nfs/dbraw/zinc/11/85/90/585118590.db2.gz RIIWJCRXGWVXJG-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCN(Cc1nonc1C)[C@H](C)C(C)C ZINC000741788183 585118833 /nfs/dbraw/zinc/11/88/33/585118833.db2.gz PKOILWLKRKFIJZ-SNVBAGLBSA-N 0 1 211.309 2.244 20 0 BEADMN CCCOC(=O)[C@@H](C)[N@@H+](C[C@@H](C)OC)C(C)C ZINC000741796724 585119422 /nfs/dbraw/zinc/11/94/22/585119422.db2.gz XFIGYHDVVPDUME-VXGBXAGGSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C[C@@H](C)OC)C(C)C ZINC000741796724 585119423 /nfs/dbraw/zinc/11/94/23/585119423.db2.gz XFIGYHDVVPDUME-VXGBXAGGSA-N 0 1 245.363 2.073 20 0 BEADMN Cc1nonc1C[N@H+]1CCCC(C)(C)CC1 ZINC000741804178 585119568 /nfs/dbraw/zinc/11/95/68/585119568.db2.gz AFHPROYCHWHWQR-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1nonc1CN1CCCC(C)(C)CC1 ZINC000741804178 585119569 /nfs/dbraw/zinc/11/95/69/585119569.db2.gz AFHPROYCHWHWQR-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)c2ccc(C)o2)n[nH]1 ZINC000742675629 585130000 /nfs/dbraw/zinc/13/00/00/585130000.db2.gz NMYRISRFCRQRMU-SNVBAGLBSA-N 0 1 247.298 2.039 20 0 BEADMN CCCCN(CN1C(=O)CC12CCC2)C1CC1 ZINC000743348881 585135691 /nfs/dbraw/zinc/13/56/91/585135691.db2.gz OUKVFWOZYCWHRE-UHFFFAOYSA-N 0 1 236.359 2.363 20 0 BEADMN CC[C@@H]1CCCN1Cn1cc[nH]c1=S ZINC000743361647 585135879 /nfs/dbraw/zinc/13/58/79/585135879.db2.gz RSMHXJOYTGKEPC-SECBINFHSA-N 0 1 211.334 2.004 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ccncc1)C(F)(F)F ZINC000743476842 585137566 /nfs/dbraw/zinc/13/75/66/585137566.db2.gz MKYMODOHFAVATQ-WCBMZHEXSA-N 0 1 248.248 2.310 20 0 BEADMN CO[C@H](CN[C@H](C)c1ccncc1)C(F)(F)F ZINC000743476839 585137584 /nfs/dbraw/zinc/13/75/84/585137584.db2.gz MKYMODOHFAVATQ-PSASIEDQSA-N 0 1 248.248 2.310 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ccncc1)C(F)(F)F ZINC000743476843 585137616 /nfs/dbraw/zinc/13/76/16/585137616.db2.gz MKYMODOHFAVATQ-WPRPVWTQSA-N 0 1 248.248 2.310 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN2CC[C@@H](C)C2)C1 ZINC000744433374 585150265 /nfs/dbraw/zinc/15/02/65/585150265.db2.gz HWRSNNMVGRECQV-OLZOCXBDSA-N 0 1 238.375 2.180 20 0 BEADMN C/C=C\C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000744746599 585152832 /nfs/dbraw/zinc/15/28/32/585152832.db2.gz UNMNGXDKEFUUNS-ARJAWSKDSA-N 0 1 229.283 2.064 20 0 BEADMN CCSCCOC(=O)[C@@H](CC)N(CC)CC ZINC000745094205 585156454 /nfs/dbraw/zinc/15/64/54/585156454.db2.gz XADPCSUDPGSPHQ-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN c1csc(CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000745946801 585161731 /nfs/dbraw/zinc/16/17/31/585161731.db2.gz JUXYMSIIIIXGGV-PHIMTYICSA-N 0 1 223.341 2.154 20 0 BEADMN Cc1cccnc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000746130392 585163463 /nfs/dbraw/zinc/16/34/63/585163463.db2.gz UBJFOOJWMKXSQA-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC000747391132 585178503 /nfs/dbraw/zinc/17/85/03/585178503.db2.gz YNYLEQFZPLIPJU-LBPRGKRZSA-N 0 1 247.342 2.169 20 0 BEADMN CCCCN(C)CN1CC2(CCCC2)CC1=O ZINC000747450559 585179019 /nfs/dbraw/zinc/17/90/19/585179019.db2.gz VFMNXZUAHLMHRX-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(O)cc2)C1 ZINC000747531517 585180389 /nfs/dbraw/zinc/18/03/89/585180389.db2.gz XZQMGCAQYRMPTC-MNOVXSKESA-N 0 1 248.326 2.061 20 0 BEADMN CCN(CC(=O)Nc1ccc(O)cc1)C1CCC1 ZINC000747530667 585180477 /nfs/dbraw/zinc/18/04/77/585180477.db2.gz MWPLLEHGTZWJQU-UHFFFAOYSA-N 0 1 248.326 2.205 20 0 BEADMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(O)cc1 ZINC000747531519 585180495 /nfs/dbraw/zinc/18/04/95/585180495.db2.gz XZQMGCAQYRMPTC-WDEREUQCSA-N 0 1 248.326 2.061 20 0 BEADMN CC(C)CCCCCC(=O)NCc1c[nH]nn1 ZINC000748415800 585192833 /nfs/dbraw/zinc/19/28/33/585192833.db2.gz CUSPBXUDGYCFOT-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CCN(CC(=O)N(C)c1ccc(C)cc1)C1CC1 ZINC000749351713 585201702 /nfs/dbraw/zinc/20/17/02/585201702.db2.gz ICAIGFZAVNGCQK-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000749565420 585204020 /nfs/dbraw/zinc/20/40/20/585204020.db2.gz PCSOKXJMRGRSMU-QMMMGPOBSA-N 0 1 247.298 2.235 20 0 BEADMN CC(C)c1cnc(CSc2c[nH]nn2)o1 ZINC000749679298 585204930 /nfs/dbraw/zinc/20/49/30/585204930.db2.gz QRYJNYYZIIBTRY-UHFFFAOYSA-N 0 1 224.289 2.208 20 0 BEADMN CCCN(C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749947911 585208792 /nfs/dbraw/zinc/20/87/92/585208792.db2.gz IWLWOWOLKRZCKX-NEPJUHHUSA-N 0 1 224.348 2.077 20 0 BEADMN CN(CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CCC1 ZINC000749957736 585208930 /nfs/dbraw/zinc/20/89/30/585208930.db2.gz BFRBIFMUHZVVCW-STQMWFEESA-N 0 1 236.359 2.219 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000751190987 585225079 /nfs/dbraw/zinc/22/50/79/585225079.db2.gz MUOXYEADLSJQGN-KGVSQERTSA-N 0 1 236.359 2.039 20 0 BEADMN C/C=C(\C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751424676 585230306 /nfs/dbraw/zinc/23/03/06/585230306.db2.gz FUZWUSVROBRSHM-XCVCLJGOSA-N 0 1 233.315 2.082 20 0 BEADMN CN(CCc1ccccc1F)Cc1cncn1C ZINC000751477338 585231520 /nfs/dbraw/zinc/23/15/20/585231520.db2.gz BREUBWIDQLQCMC-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000751927460 585239107 /nfs/dbraw/zinc/23/91/07/585239107.db2.gz YXJZPNCFXOXOPH-FRRDWIJNSA-N 0 1 236.359 2.219 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000751927461 585239185 /nfs/dbraw/zinc/23/91/85/585239185.db2.gz YXJZPNCFXOXOPH-JHJVBQTASA-N 0 1 236.359 2.219 20 0 BEADMN C[C@H]1CN(Cn2cccnc2=S)C[C@H]1C ZINC000751931602 585239561 /nfs/dbraw/zinc/23/95/61/585239561.db2.gz XLGTUFUNPXMUCX-AOOOYVTPSA-N 0 1 223.345 2.158 20 0 BEADMN CCCCCC[C@@H](C)C(=O)NCCN1CCC1 ZINC000752293591 585244474 /nfs/dbraw/zinc/24/44/74/585244474.db2.gz LHCZWQZWYXTPID-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000753013252 585252239 /nfs/dbraw/zinc/25/22/39/585252239.db2.gz JTPKEOCKBOWOEI-JTQLQIEISA-N 0 1 233.315 2.132 20 0 BEADMN C/C=C/C=C\C(=O)Nc1cc(N(C)C)ccn1 ZINC000753014302 585252269 /nfs/dbraw/zinc/25/22/69/585252269.db2.gz BZFMRZRBUNJMNJ-DEQVHDEQSA-N 0 1 231.299 2.218 20 0 BEADMN C/C=C(/C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000753015958 585252299 /nfs/dbraw/zinc/25/22/99/585252299.db2.gz KFASGFBWJGVEOA-UITAMQMPSA-N 0 1 219.288 2.052 20 0 BEADMN C[C@@H](N(C)CN1C(=O)CC12CCC2)C1(C)CC1 ZINC000753112482 585253804 /nfs/dbraw/zinc/25/38/04/585253804.db2.gz TVTHRSDFTXWZGQ-LLVKDONJSA-N 0 1 236.359 2.219 20 0 BEADMN CCc1cc(CNC(=O)/C=C2/CC[C@H](C)C2)n[nH]1 ZINC000753609847 585264018 /nfs/dbraw/zinc/26/40/18/585264018.db2.gz UZKZXFPXADFRPQ-QBQSQJOESA-N 0 1 247.342 2.335 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000753745969 585267963 /nfs/dbraw/zinc/26/79/63/585267963.db2.gz LNGHPNJVPIETIX-NWDGAFQWSA-N 0 1 240.391 2.016 20 0 BEADMN CC[C@]1(C)CN(CCC(=O)C(C)(C)C)CCO1 ZINC000753771497 585268699 /nfs/dbraw/zinc/26/86/99/585268699.db2.gz TVZMIDKVTINJBL-CQSZACIVSA-N 0 1 241.375 2.493 20 0 BEADMN CC[C@@]1(C)CN(CCC(=O)C(C)(C)C)CCO1 ZINC000753771494 585268713 /nfs/dbraw/zinc/26/87/13/585268713.db2.gz TVZMIDKVTINJBL-AWEZNQCLSA-N 0 1 241.375 2.493 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCC(=O)C(C)(C)C ZINC000753834307 585270466 /nfs/dbraw/zinc/27/04/66/585270466.db2.gz RPGIHRZKHCEOFC-NSHDSACASA-N 0 1 241.375 2.491 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@@H](O)c1ccccc1 ZINC000753833933 585270766 /nfs/dbraw/zinc/27/07/66/585270766.db2.gz LUEBANZPVDTLPI-GXTWGEPZSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)CCON=C(N)CN1CCCCCC1 ZINC000754291537 585281952 /nfs/dbraw/zinc/28/19/52/585281952.db2.gz IBPJUSJJBIUHDO-UHFFFAOYSA-N 0 1 241.379 2.407 20 0 BEADMN CC1(C)CCN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000754659098 585288916 /nfs/dbraw/zinc/28/89/16/585288916.db2.gz NDNZNIFJNDMLIM-LBPRGKRZSA-N 0 1 241.281 2.483 20 0 BEADMN CCc1nc(COC(=O)CCC(C)(C)C)n[nH]1 ZINC000754824922 585291152 /nfs/dbraw/zinc/29/11/52/585291152.db2.gz MRDMPFLXFLTSBI-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN CC/C(C)=C(\C)C(=O)OCc1n[nH]c(CC)n1 ZINC000754884509 585291953 /nfs/dbraw/zinc/29/19/53/585291953.db2.gz WPBLRJZPNOSOIB-CMDGGOBGSA-N 0 1 237.303 2.157 20 0 BEADMN CC(C)[C@H]1CCN(Cn2cc[nH]c2=S)C1 ZINC000755924024 585310657 /nfs/dbraw/zinc/31/06/57/585310657.db2.gz MWNFEZPLAZUUMP-JTQLQIEISA-N 0 1 225.361 2.107 20 0 BEADMN Cc1cc(CC(=O)OCc2ccc(F)cc2)n[nH]1 ZINC000756234674 585316065 /nfs/dbraw/zinc/31/60/65/585316065.db2.gz NRSRIPLTZNRLNF-UHFFFAOYSA-N 0 1 248.257 2.143 20 0 BEADMN Cc1cc(CC(=O)OCc2ccccc2F)n[nH]1 ZINC000756234705 585316087 /nfs/dbraw/zinc/31/60/87/585316087.db2.gz PSQYCQAROBGXNM-UHFFFAOYSA-N 0 1 248.257 2.143 20 0 BEADMN Cc1cc(CC(=O)OCc2cccc(C)c2)n[nH]1 ZINC000756702137 585322414 /nfs/dbraw/zinc/32/24/14/585322414.db2.gz VLENHOUGEPSWIF-UHFFFAOYSA-N 0 1 244.294 2.312 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C2CCC2)C1 ZINC000839677597 585336729 /nfs/dbraw/zinc/33/67/29/585336729.db2.gz TXIMEFKVLSDWIN-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN CCC[C@H]1CCCN(Cc2nonc2C)C1 ZINC000757850541 585346036 /nfs/dbraw/zinc/34/60/36/585346036.db2.gz SXNKHJHYGCJTOH-NSHDSACASA-N 0 1 223.320 2.390 20 0 BEADMN CC(C)COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757884110 585346265 /nfs/dbraw/zinc/34/62/65/585346265.db2.gz UYYQZXBZHLWCGQ-SECBINFHSA-N 0 1 222.288 2.029 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757877421 585346293 /nfs/dbraw/zinc/34/62/93/585346293.db2.gz LFUQGZINYWECQN-UTLUCORTSA-N 0 1 234.299 2.029 20 0 BEADMN O=C(OC/C=C\Cl)[C@H]1CCCc2[nH]ncc21 ZINC000758136572 585350707 /nfs/dbraw/zinc/35/07/07/585350707.db2.gz METKOLQMTFFYTP-YAPUSRSVSA-N 0 1 240.690 2.125 20 0 BEADMN NC(CN1CCCCCC1)=NOC1CCCC1 ZINC000758760597 585359599 /nfs/dbraw/zinc/35/95/99/585359599.db2.gz KSTWJJWXWGRSJC-UHFFFAOYSA-N 0 1 239.363 2.303 20 0 BEADMN CCCC(N)=NOCC[C@H]1CCCCO1 ZINC000758760476 585359715 /nfs/dbraw/zinc/35/97/15/585359715.db2.gz HWXLTTZJWNKHDS-SNVBAGLBSA-N 0 1 214.309 2.244 20 0 BEADMN COc1ccccc1CCN(C)CCF ZINC000759339336 585368648 /nfs/dbraw/zinc/36/86/48/585368648.db2.gz MQZQPKGXBRQILK-UHFFFAOYSA-N 0 1 211.280 2.139 20 0 BEADMN CC1(C)CCN1Cc1cnc2ccccn12 ZINC000759346060 585370009 /nfs/dbraw/zinc/37/00/09/585370009.db2.gz VUCZXRCEMBEPFB-UHFFFAOYSA-N 0 1 215.300 2.319 20 0 BEADMN FCCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000759346623 585370024 /nfs/dbraw/zinc/37/00/24/585370024.db2.gz NKPFVGDNJPUOMC-ZDUSSCGKSA-N 0 1 245.338 2.006 20 0 BEADMN CC[C@@H](Cc1ccccc1)NCc1nonc1C ZINC000809745399 585395062 /nfs/dbraw/zinc/39/50/62/585395062.db2.gz SGLWFIKJPPLQDJ-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2F)CCN1C ZINC000761074575 585405612 /nfs/dbraw/zinc/40/56/12/585405612.db2.gz CUVQFCSHWNDOHT-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H]2C[C@H]21 ZINC000761081228 585406749 /nfs/dbraw/zinc/40/67/49/585406749.db2.gz FTBRSCVHDNSRMP-SGMGOOAPSA-N 0 1 244.338 2.416 20 0 BEADMN CCOc1ccc(CN2CC[C@H]3C[C@H]32)nc1 ZINC000761090154 585408132 /nfs/dbraw/zinc/40/81/32/585408132.db2.gz JMJJWOWZDQQHRQ-GXFFZTMASA-N 0 1 218.300 2.075 20 0 BEADMN CCN(C(=O)CN1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000761094464 585408557 /nfs/dbraw/zinc/40/85/57/585408557.db2.gz NVMQTTOUZQPGSS-GXTWGEPZSA-N 0 1 244.338 2.134 20 0 BEADMN Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H]3C[C@@H]32)c1 ZINC000761094375 585408704 /nfs/dbraw/zinc/40/87/04/585408704.db2.gz PKWSTUZMYGIKTA-SCRDCRAPSA-N 0 1 244.338 2.416 20 0 BEADMN C[C@H]1COCC[C@H]1NCc1coc(C2CC2)n1 ZINC000762484928 585432827 /nfs/dbraw/zinc/43/28/27/585432827.db2.gz FTLUFTNYGJJTGV-JOYOIKCWSA-N 0 1 236.315 2.067 20 0 BEADMN CCCN(CC)Cn1cnc(-c2ccccn2)n1 ZINC000762492977 585433015 /nfs/dbraw/zinc/43/30/15/585433015.db2.gz BJGWBFORFRDECS-UHFFFAOYSA-N 0 1 245.330 2.030 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](C2CC2)CC1=O ZINC000762498520 585433531 /nfs/dbraw/zinc/43/35/31/585433531.db2.gz WKAHUEIJLYLWLX-AAEUAGOBSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CC3(CC3)C(=O)O2)o1 ZINC000763658130 585451802 /nfs/dbraw/zinc/45/18/02/585451802.db2.gz CIYWVHYMVQJDSM-LBPRGKRZSA-N 0 1 249.310 2.116 20 0 BEADMN Cc1occc1CN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763671053 585452045 /nfs/dbraw/zinc/45/20/45/585452045.db2.gz HWDJHEQCVTUWEK-LBPRGKRZSA-N 0 1 249.310 2.116 20 0 BEADMN CC(C)c1cnc(CN[C@H]2CCOC[C@H]2C)o1 ZINC000763905032 585456717 /nfs/dbraw/zinc/45/67/17/585456717.db2.gz XEDLUGKXCRHFBS-MNOVXSKESA-N 0 1 238.331 2.313 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)OCC1CC1 ZINC000763942410 585457267 /nfs/dbraw/zinc/45/72/67/585457267.db2.gz FHLBWHGQOJTMCQ-UHFFFAOYSA-N 0 1 230.267 2.059 20 0 BEADMN CCN(CC(=O)NC)[C@H](C)c1cccc(C)c1 ZINC000764205444 585461636 /nfs/dbraw/zinc/46/16/36/585461636.db2.gz UQLPYPLNVDBIOB-GFCCVEGCSA-N 0 1 234.343 2.124 20 0 BEADMN CC[C@H](C(=O)O[C@@H](C)C1CC1)N(CC)CC ZINC000764396370 585464732 /nfs/dbraw/zinc/46/47/32/585464732.db2.gz WDSBQJNJAINOIW-CMPLNLGQSA-N 0 1 227.348 2.449 20 0 BEADMN CCc1nc(COC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC000765542937 585489296 /nfs/dbraw/zinc/48/92/96/585489296.db2.gz LMINNGOZLRXVRV-VIFPVBQESA-N 0 1 239.319 2.093 20 0 BEADMN CC/C=C(\C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000765939847 585494053 /nfs/dbraw/zinc/49/40/53/585494053.db2.gz JXUCHPQFLGBHCA-UAIPSJAGSA-N 0 1 238.375 2.284 20 0 BEADMN COc1cccc(CN(C)CCCF)c1OC ZINC000766008401 585495885 /nfs/dbraw/zinc/49/58/85/585495885.db2.gz XMDBAKFEKYYDGK-UHFFFAOYSA-N 0 1 241.306 2.495 20 0 BEADMN C/C=C\COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766191019 585498844 /nfs/dbraw/zinc/49/88/44/585498844.db2.gz XSPZSTURZFMBPV-IHWYPQMZSA-N 0 1 244.250 2.108 20 0 BEADMN O=C(C=C1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000766690921 585505653 /nfs/dbraw/zinc/50/56/53/585505653.db2.gz GMASQQVHIWJZBG-GFCCVEGCSA-N 0 1 245.326 2.404 20 0 BEADMN CC(C)[C@H](C(=O)OCCCF)N1CCCC1 ZINC000767351035 585516958 /nfs/dbraw/zinc/51/69/58/585516958.db2.gz ZPTXDDYCAHORSB-LLVKDONJSA-N 0 1 231.311 2.010 20 0 BEADMN Cc1cc([C@H]2CCCN2CCC(=O)C2CC2)on1 ZINC000767347537 585517001 /nfs/dbraw/zinc/51/70/01/585517001.db2.gz AKCFXVXLAUXMNI-GFCCVEGCSA-N 0 1 248.326 2.489 20 0 BEADMN O=C(CCN1CCOCC12CCCC2)C1CC1 ZINC000767615011 585523126 /nfs/dbraw/zinc/52/31/26/585523126.db2.gz ZMUFCPQWUZUAMS-UHFFFAOYSA-N 0 1 237.343 2.001 20 0 BEADMN CCCc1cc(C(=O)N(OC)[C@H](C)CC)[nH]n1 ZINC000768896491 585545572 /nfs/dbraw/zinc/54/55/72/585545572.db2.gz PKCZNYGAVDFRJO-SECBINFHSA-N 0 1 239.319 2.164 20 0 BEADMN COC1(C)CCN(Cc2ccnc(F)c2)CC1 ZINC000859236269 589023341 /nfs/dbraw/zinc/02/33/41/589023341.db2.gz DUKUFCZBQQMOBT-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CCc1noc(C)c1[C@@H](C)NCc1cc(C)[nH]n1 ZINC000769875922 585565906 /nfs/dbraw/zinc/56/59/06/585565906.db2.gz QBUMCESFCJVWGT-SECBINFHSA-N 0 1 248.330 2.428 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2cc(C)oc2C)C[C@H]1O ZINC000770377758 585573579 /nfs/dbraw/zinc/57/35/79/585573579.db2.gz DBBHGCYJBHGENI-DGCLKSJQSA-N 0 1 223.316 2.099 20 0 BEADMN COC(=O)[C@]1(F)CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000770506236 585575036 /nfs/dbraw/zinc/57/50/36/585575036.db2.gz ZUGXDSCJGYZCPN-PWSUYJOCSA-N 0 1 231.311 2.008 20 0 BEADMN COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000770506237 585575232 /nfs/dbraw/zinc/57/52/32/585575232.db2.gz ZUGXDSCJGYZCPN-ZYHUDNBSSA-N 0 1 231.311 2.008 20 0 BEADMN C/C=C/COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770574608 585576868 /nfs/dbraw/zinc/57/68/68/585576868.db2.gz OQLADSLSZRGJLX-NSCUHMNNSA-N 0 1 243.266 2.205 20 0 BEADMN CC[C@@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770575928 585576874 /nfs/dbraw/zinc/57/68/74/585576874.db2.gz BWABFVKLAANUGG-SECBINFHSA-N 0 1 245.282 2.427 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000771406998 585594038 /nfs/dbraw/zinc/59/40/38/585594038.db2.gz PUEIUCRNUJAFKU-HRFIDBLHSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1cnccn1)c1nccs1 ZINC000772448129 585615912 /nfs/dbraw/zinc/61/59/12/585615912.db2.gz QNAPJJIGGJDDRO-VHSXEESVSA-N 0 1 248.355 2.215 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(C2CC2)cc1)N(C)C ZINC000772854060 585625319 /nfs/dbraw/zinc/62/53/19/585625319.db2.gz ZTKPONOJCKQUDE-JTQLQIEISA-N 0 1 232.327 2.453 20 0 BEADMN C[C@@H](N[C@@H](CO)C1CC1)c1c(F)cccc1F ZINC000773007482 585629416 /nfs/dbraw/zinc/62/94/16/585629416.db2.gz GOWXNCXFVHMUPW-PELKAZGASA-N 0 1 241.281 2.386 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1(F)CCCC1 ZINC000773263276 585634388 /nfs/dbraw/zinc/63/43/88/585634388.db2.gz BUKOMDFAJWAHCP-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)CCC(=O)C1CC1 ZINC000773707440 585642796 /nfs/dbraw/zinc/64/27/96/585642796.db2.gz OLIXKYJMTSCLBG-LLVKDONJSA-N 0 1 229.389 2.429 20 0 BEADMN CC(C)C1(O)CN(CCCCOC(C)(C)C)C1 ZINC000773895015 585645652 /nfs/dbraw/zinc/64/56/52/585645652.db2.gz PEQQERVBRFNGTB-UHFFFAOYSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1nc(COC(=O)[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000774192551 585653446 /nfs/dbraw/zinc/65/34/46/585653446.db2.gz JUADDMCQTLXMJQ-QMMMGPOBSA-N 0 1 239.319 2.229 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccnn2C)c(C)o1 ZINC000774241927 585655080 /nfs/dbraw/zinc/65/50/80/585655080.db2.gz FFCBOJCCXJDMPQ-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1ccc(CC(=O)NOC2CCCC2)o1 ZINC000774863791 585667854 /nfs/dbraw/zinc/66/78/54/585667854.db2.gz JAAIBQQOCZMESI-UHFFFAOYSA-N 0 1 223.272 2.121 20 0 BEADMN CN(Cc1ccc[nH]1)C[C@@H]1CCC=CO1 ZINC000774907475 585668777 /nfs/dbraw/zinc/66/87/77/585668777.db2.gz BWNGVMMJFYDIBD-LBPRGKRZSA-N 0 1 206.289 2.139 20 0 BEADMN CC(C)[C@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000775058079 585671328 /nfs/dbraw/zinc/67/13/28/585671328.db2.gz SQXSKMZELWQSSD-CHWSQXEVSA-N 0 1 225.332 2.036 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1coc(C2CC2)n1 ZINC000775201582 585673505 /nfs/dbraw/zinc/67/35/05/585673505.db2.gz VIERMGKDHNPFGW-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN Cc1nonc1CN1CCCC[C@@H](C)C1 ZINC000775732096 585683746 /nfs/dbraw/zinc/68/37/46/585683746.db2.gz OCUGFIRCRZREPA-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782190 585684585 /nfs/dbraw/zinc/68/45/85/585684585.db2.gz CZNNOIROYYOAGV-ONGXEEELSA-N 0 1 235.331 2.111 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782190 585684586 /nfs/dbraw/zinc/68/45/86/585684586.db2.gz CZNNOIROYYOAGV-ONGXEEELSA-N 0 1 235.331 2.111 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)n[nH]1 ZINC000775847526 585686326 /nfs/dbraw/zinc/68/63/26/585686326.db2.gz DZZMYQODYWBAFT-TZMCWYRMSA-N 0 1 249.358 2.271 20 0 BEADMN CCCc1cccc(CN(CC)CC(=O)NC)c1 ZINC000775903923 585687526 /nfs/dbraw/zinc/68/75/26/585687526.db2.gz USVZESHWBLDXQJ-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1coc(C2CC2)n1 ZINC000775984344 585688870 /nfs/dbraw/zinc/68/88/70/585688870.db2.gz FMSSHKOJDPUXIC-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)(O)CN(CCF)Cc1ccccc1 ZINC000776033020 585689452 /nfs/dbraw/zinc/68/94/52/585689452.db2.gz RMOHOPUDFPTEBM-UHFFFAOYSA-N 0 1 225.307 2.229 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000776477230 585699301 /nfs/dbraw/zinc/69/93/01/585699301.db2.gz QPEPJWPWDMLBJP-ZJUUUORDSA-N 0 1 235.331 2.025 20 0 BEADMN CC(C)COC(=O)CN1CC[C@H](C(C)C)C1 ZINC000776592635 585702415 /nfs/dbraw/zinc/70/24/15/585702415.db2.gz RMIZRKHMKCKGFS-LBPRGKRZSA-N 0 1 227.348 2.164 20 0 BEADMN CC[C@H]1c2ccccc2CCN1Cn1cnnc1 ZINC000776760891 585704866 /nfs/dbraw/zinc/70/48/66/585704866.db2.gz XOZAYPAKFNLNBD-AWEZNQCLSA-N 0 1 242.326 2.245 20 0 BEADMN CCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777085056 585708298 /nfs/dbraw/zinc/70/82/98/585708298.db2.gz DCZQHTKUYNJOFN-UHFFFAOYSA-N 0 1 236.315 2.174 20 0 BEADMN c1ccc(CCN(CC2OCCO2)C2CC2)cc1 ZINC000777564316 585715255 /nfs/dbraw/zinc/71/52/55/585715255.db2.gz UEWPISJUNFQFIU-UHFFFAOYSA-N 0 1 247.338 2.066 20 0 BEADMN CC[C@@H]1c2ccccc2CCN1CC1OCCO1 ZINC000777584404 585715838 /nfs/dbraw/zinc/71/58/38/585715838.db2.gz PARJQCGVNYWKKH-CQSZACIVSA-N 0 1 247.338 2.369 20 0 BEADMN CC(C)CONC(=O)C(C)(C)c1cccnc1 ZINC000778391697 585733252 /nfs/dbraw/zinc/73/32/52/585733252.db2.gz CVYSTGUROWDWEH-UHFFFAOYSA-N 0 1 236.315 2.063 20 0 BEADMN CC[C@]1(O)CCN(Cc2cccnc2Cl)C1 ZINC000778395896 585733702 /nfs/dbraw/zinc/73/37/02/585733702.db2.gz JSVYIHQLVKCBCT-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CC(C)(C(=O)NOC1CCCC1)c1cccnc1 ZINC000778419955 585734699 /nfs/dbraw/zinc/73/46/99/585734699.db2.gz OVLIDUHXTNAWIX-UHFFFAOYSA-N 0 1 248.326 2.350 20 0 BEADMN CC[C@@H](C)COC(=O)C(C)(C)N1CCCC1 ZINC000805613401 585740726 /nfs/dbraw/zinc/74/07/26/585740726.db2.gz BBPJMLIUGSGRDJ-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C(=O)OCC1CCC1)N1CCCC1 ZINC000805615195 585741005 /nfs/dbraw/zinc/74/10/05/585741005.db2.gz ZDQPEGQSHXGUDX-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CC/C(C)=C(/C)C(=O)NCc1cc(CC)[nH]n1 ZINC000780940006 585786692 /nfs/dbraw/zinc/78/66/92/585786692.db2.gz MMINBENICKRORJ-KTKRTIGZSA-N 0 1 235.331 2.335 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCc1cc(C)[nH]n1 ZINC000780936797 585786860 /nfs/dbraw/zinc/78/68/60/585786860.db2.gz CYVLHBSUZRLIMF-CSKARUKUSA-N 0 1 221.304 2.081 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000780986521 585787978 /nfs/dbraw/zinc/78/79/78/585787978.db2.gz NIZRIIMNMLMHIA-JUDLJHIGSA-N 0 1 247.342 2.130 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000781008202 585788453 /nfs/dbraw/zinc/78/84/53/585788453.db2.gz MXLRTGVRMVWRCU-SBNUVXDESA-N 0 1 238.375 2.284 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC000781974565 585806055 /nfs/dbraw/zinc/80/60/55/585806055.db2.gz LEDSGHNRLIARBI-JTQLQIEISA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)N1C(=O)C[N@H+]([C@@H](C)C2CC2)CC1(C)C ZINC000782182264 585809796 /nfs/dbraw/zinc/80/97/96/585809796.db2.gz XRTBSMMMESOHSR-NSHDSACASA-N 0 1 238.375 2.116 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N(C)C[C@@H]1C ZINC000782585044 585820425 /nfs/dbraw/zinc/82/04/25/585820425.db2.gz MDZZXJWJWFMUMM-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN OC[C@@]12C[C@@H]1CN(Cc1ccccc1Cl)C2 ZINC000782607955 585821617 /nfs/dbraw/zinc/82/16/17/585821617.db2.gz WSNSHGBOFFOIBZ-YPMHNXCESA-N 0 1 237.730 2.154 20 0 BEADMN C[C@H](c1nncn1C)N1CCCCCCC1 ZINC000805734002 585824798 /nfs/dbraw/zinc/82/47/98/585824798.db2.gz NPPIINPWANGEDT-LLVKDONJSA-N 0 1 222.336 2.142 20 0 BEADMN CCCC(N)=NOC[C@H]1CCO[C@H](C)C1 ZINC000783025952 585827192 /nfs/dbraw/zinc/82/71/92/585827192.db2.gz CLGZBTSTUWWGQR-ZJUUUORDSA-N 0 1 214.309 2.100 20 0 BEADMN CC[C@H](NC[C@@H]1CCC=CO1)c1nccn1C ZINC000783310651 585833530 /nfs/dbraw/zinc/83/35/30/585833530.db2.gz QVQNYLJGNAGEKB-RYUDHWBXSA-N 0 1 235.331 2.154 20 0 BEADMN CCOC(=O)N1CCN(CCCC(C)C)CC1 ZINC000783506932 585835543 /nfs/dbraw/zinc/83/55/43/585835543.db2.gz RPQAHECGOBBCGN-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN COc1nc(C)cc(C)c1CN1CC[C@@H]2C[C@@H]21 ZINC000805746580 585835637 /nfs/dbraw/zinc/83/56/37/585835637.db2.gz BDRHOWQZQKFKLS-YPMHNXCESA-N 0 1 232.327 2.301 20 0 BEADMN C[C@H]1CCCCN1CC(N)=NOCCC1CC1 ZINC000783558226 585836604 /nfs/dbraw/zinc/83/66/04/585836604.db2.gz KVJWRPLZGXZIQH-NSHDSACASA-N 0 1 239.363 2.159 20 0 BEADMN O=C(CCCc1ccsc1)NCc1cnc[nH]1 ZINC000783581580 585837473 /nfs/dbraw/zinc/83/74/73/585837473.db2.gz AKBKUSWKHHTPSJ-UHFFFAOYSA-N 0 1 249.339 2.110 20 0 BEADMN CCc1nc(COC(=O)C(C)(C)C(C)C)n[nH]1 ZINC000784336670 585856230 /nfs/dbraw/zinc/85/62/30/585856230.db2.gz VYKUZVHRZHOCMX-UHFFFAOYSA-N 0 1 239.319 2.093 20 0 BEADMN CC(C)COC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000784385066 585857955 /nfs/dbraw/zinc/85/79/55/585857955.db2.gz IEJLVVXUDDGPLD-CYBMUJFWSA-N 0 1 239.359 2.474 20 0 BEADMN CCCC=CC(=O)N[C@H](CC)c1ncc[nH]1 ZINC000785421866 585873232 /nfs/dbraw/zinc/87/32/32/585873232.db2.gz VQZPZDVVMQBOBV-VQCYPWCPSA-N 0 1 221.304 2.333 20 0 BEADMN CCC(=O)[C@@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000785589618 585876232 /nfs/dbraw/zinc/87/62/32/585876232.db2.gz IPKYROMUKCRWOO-MRVPVSSYSA-N 0 1 246.266 2.087 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCC1CC1 ZINC000785744533 585879427 /nfs/dbraw/zinc/87/94/27/585879427.db2.gz QBAZTANPTBXGTF-GHMZBOCLSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccon1 ZINC000786342584 585890236 /nfs/dbraw/zinc/89/02/36/585890236.db2.gz QLTCHSXNFWTHET-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC[C@@H](C(=O)O[C@@H](C)C(F)F)N(CC)CC ZINC000786507709 585893110 /nfs/dbraw/zinc/89/31/10/585893110.db2.gz OQBKBCGBMZAVJN-IUCAKERBSA-N 0 1 237.290 2.304 20 0 BEADMN CC[C@H](C)[C@H](NC(=O)C(F)F)C(F)(F)F ZINC000787582753 585912369 /nfs/dbraw/zinc/91/23/69/585912369.db2.gz VJAPKLGJKVUQAF-WHFBIAKZSA-N 0 1 233.180 2.345 20 0 BEADMN Cc1nonc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000789453102 585943039 /nfs/dbraw/zinc/94/30/39/585943039.db2.gz YSYZQTPQQUOUON-YWVKMMECSA-N 0 1 223.320 2.244 20 0 BEADMN C/C=C(\CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000789758708 585949568 /nfs/dbraw/zinc/94/95/68/585949568.db2.gz PZIHFZJMFKXOCF-FPYGCLRLSA-N 0 1 246.270 2.360 20 0 BEADMN CC(C)[C@@H](C(=O)OC1CCCC1)N(C)C ZINC000789801129 585950332 /nfs/dbraw/zinc/95/03/32/585950332.db2.gz LWEDYWPCOHHCJL-NSHDSACASA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)[C@H](C(=O)OCc1ccccc1)N(C)C ZINC000789802176 585950458 /nfs/dbraw/zinc/95/04/58/585950458.db2.gz VNEUIZLVPKTQKA-CYBMUJFWSA-N 0 1 235.327 2.316 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000789804351 585950790 /nfs/dbraw/zinc/95/07/90/585950790.db2.gz OWNPSECKAKLYTO-MNOVXSKESA-N 0 1 215.337 2.160 20 0 BEADMN CC=C(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000789814552 585950999 /nfs/dbraw/zinc/95/09/99/585950999.db2.gz UEFFSAVZDAKHGY-QSADENFPSA-N 0 1 233.315 2.260 20 0 BEADMN O=C(Nc1c[nH]nn1)c1cc2ccccc2s1 ZINC000789926926 585953874 /nfs/dbraw/zinc/95/38/74/585953874.db2.gz HTIQEQTVPNTURK-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CCCCN(C(=O)c1[nH]nnc1C)[C@H](C)CC ZINC000789938645 585954226 /nfs/dbraw/zinc/95/42/26/585954226.db2.gz RQLRETOQJWTVTG-SECBINFHSA-N 0 1 238.335 2.154 20 0 BEADMN CC[C@H](C(=O)OCC1(C)CC1)N(CC)CC ZINC000790806628 585969060 /nfs/dbraw/zinc/96/90/60/585969060.db2.gz WIHXSLVCDAEQCU-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)[C@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000790930836 585970727 /nfs/dbraw/zinc/97/07/27/585970727.db2.gz JIBDTNRDEIIYJJ-CHWSQXEVSA-N 0 1 239.359 2.426 20 0 BEADMN C[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1F ZINC000791493585 585982041 /nfs/dbraw/zinc/98/20/41/585982041.db2.gz UDDHRRQHEZFDAX-FPMFFAJLSA-N 0 1 237.318 2.400 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@H](C)[C@@H](C)O1 ZINC000791540991 585983607 /nfs/dbraw/zinc/98/36/07/585983607.db2.gz DYLJGWKQZWZDJJ-RGCMKSIDSA-N 0 1 249.354 2.218 20 0 BEADMN O=C(OCC(F)(F)F)c1ccc2cncn2c1 ZINC000792564703 586002672 /nfs/dbraw/zinc/00/26/72/586002672.db2.gz KUPHRIXNCCUHEO-UHFFFAOYSA-N 0 1 244.172 2.053 20 0 BEADMN C[Si](C)(C)COC(=O)c1ccc2cncn2c1 ZINC000792573542 586002965 /nfs/dbraw/zinc/00/29/65/586002965.db2.gz UVSQWDFHTFPCQM-UHFFFAOYSA-N 0 1 248.358 2.369 20 0 BEADMN c1ccc(C2=CCCN(CC3OCCO3)C2)cc1 ZINC000792934189 586007283 /nfs/dbraw/zinc/00/72/83/586007283.db2.gz ULJCRORQKXSIDZ-UHFFFAOYSA-N 0 1 245.322 2.149 20 0 BEADMN Cc1cc([C@@H](C)NCc2ccoc2C)n(C)n1 ZINC000793530191 586021860 /nfs/dbraw/zinc/02/18/60/586021860.db2.gz WKYBXRANHFFKOY-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@@H](C)NCc2cncc(C)c2)n(C)n1 ZINC000793550115 586022680 /nfs/dbraw/zinc/02/26/80/586022680.db2.gz QJAAKQKVKFPRAL-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H]2CC=CCC2)n1 ZINC000795273553 586074007 /nfs/dbraw/zinc/07/40/07/586074007.db2.gz SBXRUEAVXUBOLE-SNVBAGLBSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000795273553 586074008 /nfs/dbraw/zinc/07/40/08/586074008.db2.gz SBXRUEAVXUBOLE-SNVBAGLBSA-N 0 1 249.314 2.328 20 0 BEADMN CC[C@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795266820 586074077 /nfs/dbraw/zinc/07/40/77/586074077.db2.gz ABNFGCBFFQKYQB-QMMMGPOBSA-N 0 1 225.292 2.017 20 0 BEADMN CC[C@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795266820 586074080 /nfs/dbraw/zinc/07/40/80/586074080.db2.gz ABNFGCBFFQKYQB-QMMMGPOBSA-N 0 1 225.292 2.017 20 0 BEADMN CCCCN(CC)CN1C[C@H](C(F)F)CC1=O ZINC000795409122 586077405 /nfs/dbraw/zinc/07/74/05/586077405.db2.gz PNKAIMCMUWDUHW-SNVBAGLBSA-N 0 1 248.317 2.180 20 0 BEADMN CN(CN1C[C@H](C(F)F)CC1=O)CC(C)(C)C ZINC000795427040 586078337 /nfs/dbraw/zinc/07/83/37/586078337.db2.gz IDYNJSFVEIGXCW-SECBINFHSA-N 0 1 248.317 2.035 20 0 BEADMN C[C@@H]1CC(=O)N(CN2CCC3(CCC3)CC2)C1 ZINC000795714561 586091574 /nfs/dbraw/zinc/09/15/74/586091574.db2.gz RABYPLOYBLCGOT-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN Cc1cnn(C)c1CNCc1c(C)cccc1F ZINC000796316265 586100448 /nfs/dbraw/zinc/10/04/48/586100448.db2.gz PPJLNHVVVBWHNX-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1csc([C@@H](NCc2cnc[nH]2)C2CC2)n1 ZINC000796451181 586103899 /nfs/dbraw/zinc/10/38/99/586103899.db2.gz RJYSAZRMBXHECP-NSHDSACASA-N 0 1 248.355 2.416 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000796534433 586106198 /nfs/dbraw/zinc/10/61/98/586106198.db2.gz YQCLJEPVIZGCED-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@H](C3CC3)CC2=O)C1 ZINC000797417658 586126706 /nfs/dbraw/zinc/12/67/06/586126706.db2.gz RCYRSUYNJGKMLN-SMDDNHRTSA-N 0 1 248.370 2.100 20 0 BEADMN O=C(NC[C@H]1CCC(F)(F)C1)C(F)(F)F ZINC000797767659 586131123 /nfs/dbraw/zinc/13/11/23/586131123.db2.gz BPHDNMAKHUKKMW-YFKPBYRVSA-N 0 1 231.164 2.100 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H](C)C1CCC1)N(C)C ZINC000798838905 586150267 /nfs/dbraw/zinc/15/02/67/586150267.db2.gz UAAUDBJSRREUCD-ZYHUDNBSSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H](C)c1ccco1)N(C)C ZINC000798845917 586150635 /nfs/dbraw/zinc/15/06/35/586150635.db2.gz RLAIJASRIIXMFR-ZYHUDNBSSA-N 0 1 239.315 2.470 20 0 BEADMN CSC(C)(C)COC(=O)[C@H](C(C)C)N(C)C ZINC000798847046 586151360 /nfs/dbraw/zinc/15/13/60/586151360.db2.gz FSRSWEZNYYVVJM-JTQLQIEISA-N 0 1 247.404 2.257 20 0 BEADMN CS[C@H](C)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798865370 586152129 /nfs/dbraw/zinc/15/21/29/586152129.db2.gz YVHLJFGIUVRXTF-GMTAPVOTSA-N 0 1 247.404 2.256 20 0 BEADMN CS[C@@H](C)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798865373 586152134 /nfs/dbraw/zinc/15/21/34/586152134.db2.gz YVHLJFGIUVRXTF-OUAUKWLOSA-N 0 1 247.404 2.256 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(F)c2)C[C@@H]1C ZINC000859325553 589031866 /nfs/dbraw/zinc/03/18/66/589031866.db2.gz XFBGEDLGBJYOMV-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN CCCC[C@@H](C)C(=O)NCc1cc(CC)[nH]n1 ZINC000800490795 586223000 /nfs/dbraw/zinc/22/30/00/586223000.db2.gz LAYUAHLPSDVSLN-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN FC(F)[C@H]1CN(CC2CCCC2)CCO1 ZINC000801561854 586262607 /nfs/dbraw/zinc/26/26/07/586262607.db2.gz YOVZEQIMQAYCPZ-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN CCCCN(CN1CCC(C)(C)C1=O)C1CC1 ZINC000839959742 586300879 /nfs/dbraw/zinc/30/08/79/586300879.db2.gz NCXSOJRAMUIHSP-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN CCCCN(CC)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839959159 586300943 /nfs/dbraw/zinc/30/09/43/586300943.db2.gz NJGIEDVNQBRZPP-QWHCGFSZSA-N 0 1 238.375 2.324 20 0 BEADMN CCCCN(CC)CN1Cc2cccnc2C1=O ZINC000839959077 586300950 /nfs/dbraw/zinc/30/09/50/586300950.db2.gz MRIBSAFJPIPVDY-UHFFFAOYSA-N 0 1 247.342 2.117 20 0 BEADMN CCCCN(CC)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839959153 586300961 /nfs/dbraw/zinc/30/09/61/586300961.db2.gz NJGIEDVNQBRZPP-CHWSQXEVSA-N 0 1 238.375 2.324 20 0 BEADMN CCCCN(CN1CC[C@H](C)C1=O)C1CC1 ZINC000839961473 586301612 /nfs/dbraw/zinc/30/16/12/586301612.db2.gz XAQBIFSMHQLRBC-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN CCC1CCN(CN2C[C@@H](C)[C@H](C)C2=O)CC1 ZINC000839968517 586305209 /nfs/dbraw/zinc/30/52/09/586305209.db2.gz LGHHJYPUXDNHSH-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN FC(F)[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000802653428 586307576 /nfs/dbraw/zinc/30/75/76/586307576.db2.gz LVYJIPKDGIPFMD-QWRGUYRKSA-N 0 1 231.286 2.309 20 0 BEADMN CC1CN(CC2=Cc3ccccc3OC2)C1 ZINC000802651269 586307783 /nfs/dbraw/zinc/30/77/83/586307783.db2.gz LERBMWKMVWLXPG-UHFFFAOYSA-N 0 1 215.296 2.414 20 0 BEADMN CC(C)CCN(C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839974991 586309633 /nfs/dbraw/zinc/30/96/33/586309633.db2.gz NMATVUOPDVDBCK-OLZOCXBDSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1CN(CN2CCC(C)(C)CC2)C(=O)[C@H]1C ZINC000839987902 586331814 /nfs/dbraw/zinc/33/18/14/586331814.db2.gz SKBFQFGQWMXCDU-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839990874 586333758 /nfs/dbraw/zinc/33/37/58/586333758.db2.gz AJCKZIGGQIWNCD-TUAOUCFPSA-N 0 1 226.364 2.036 20 0 BEADMN CCCN(CN1C[C@H]2CCC[C@H]2C1=O)C1CC1 ZINC000839990835 586333787 /nfs/dbraw/zinc/33/37/87/586333787.db2.gz KQGZFYNSCDIDAM-DGCLKSJQSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@H]1C(=O)N(CN2CCCC(C)(C)C2)C[C@H]1C ZINC000839993461 586335472 /nfs/dbraw/zinc/33/54/72/586335472.db2.gz DLTDZIVEQIAWMV-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN O=C(OCCCCF)c1cccc2[nH]ncc21 ZINC000803485588 586360962 /nfs/dbraw/zinc/36/09/62/586360962.db2.gz XODZIGKVUCDKIT-UHFFFAOYSA-N 0 1 236.246 2.469 20 0 BEADMN CN(CN1C[C@H]2CCC[C@@H]2C1=O)CC(C)(C)C ZINC000840004006 586362378 /nfs/dbraw/zinc/36/23/78/586362378.db2.gz QMWLLPCHCZZZQB-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN CN(CN1C[C@@H]2CCC[C@@H]2C1=O)CC(C)(C)C ZINC000840004011 586362409 /nfs/dbraw/zinc/36/24/09/586362409.db2.gz QMWLLPCHCZZZQB-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN C/C=C/C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000803638607 586368172 /nfs/dbraw/zinc/36/81/72/586368172.db2.gz YMVFFTZBFUCGIV-ONEGZZNKSA-N 0 1 233.315 2.000 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840015793 586373113 /nfs/dbraw/zinc/37/31/13/586373113.db2.gz RXXMDIVNGGBGFG-DDTOSNHZSA-N 0 1 248.370 2.075 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H]2C[C@H]21 ZINC000804297066 586388903 /nfs/dbraw/zinc/38/89/03/586388903.db2.gz DEBPPLUKKSNWDU-WDEREUQCSA-N 0 1 247.342 2.466 20 0 BEADMN CCN(CCC1CC1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840046714 586396617 /nfs/dbraw/zinc/39/66/17/586396617.db2.gz CKCQUASXVOFJCN-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccsc2)n[nH]1 ZINC000840050838 586399936 /nfs/dbraw/zinc/39/99/36/586399936.db2.gz ZMRNNONCKTWLCG-LURJTMIESA-N 0 1 237.284 2.093 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000840061096 586412228 /nfs/dbraw/zinc/41/22/28/586412228.db2.gz BZVYAPILGCKGBZ-WCBMZHEXSA-N 0 1 235.287 2.074 20 0 BEADMN CC1=C(C)CN(CN2C[C@H](C)[C@@H](C)C2=O)CC1 ZINC000840063649 586413167 /nfs/dbraw/zinc/41/31/67/586413167.db2.gz YZMLVNARFWRORM-QWHCGFSZSA-N 0 1 236.359 2.100 20 0 BEADMN CCCN(CC)CN1C(=O)CCC1(C)C ZINC000808149360 586464520 /nfs/dbraw/zinc/46/45/20/586464520.db2.gz MRSZOWODSOQLBT-UHFFFAOYSA-N 0 1 212.337 2.077 20 0 BEADMN CN(CN1CC(C)(C)CC1=O)CC(C)(C)C ZINC000808159725 586465674 /nfs/dbraw/zinc/46/56/74/586465674.db2.gz JJIVARIMSOQZBX-UHFFFAOYSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@@H](N(C)CN1CC(C)(C)CC1=O)C1(C)CC1 ZINC000808168451 586466053 /nfs/dbraw/zinc/46/60/53/586466053.db2.gz NWVVXEITDAENBK-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN(C)C2CCC2)C1 ZINC000808166729 586466194 /nfs/dbraw/zinc/46/61/94/586466194.db2.gz ZLLLWCCGTQWFKA-CYBMUJFWSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@H](N(C)CN1C(=O)CCC1(C)C)C1(C)CC1 ZINC000808169096 586466664 /nfs/dbraw/zinc/46/66/64/586466664.db2.gz VRYPDMIASOLBGP-NSHDSACASA-N 0 1 238.375 2.465 20 0 BEADMN CC1=C[C@H](C)CN(CN2CC(C)(C)CC2=O)C1 ZINC000808183907 586467005 /nfs/dbraw/zinc/46/70/05/586467005.db2.gz PXGIOENNUPXIMM-NSHDSACASA-N 0 1 236.359 2.100 20 0 BEADMN Cn1cnc(CNC/C=C\c2ccccc2)c1 ZINC000808389209 586469973 /nfs/dbraw/zinc/46/99/73/586469973.db2.gz QHDTUWBHISOIJZ-YVMONPNESA-N 0 1 227.311 2.223 20 0 BEADMN C[C@H](NCc1nccs1)[C@H](O)c1ccccc1 ZINC000808447407 586473030 /nfs/dbraw/zinc/47/30/30/586473030.db2.gz ZENAOBQXOVRBCW-GWCFXTLKSA-N 0 1 248.351 2.355 20 0 BEADMN CC(C)C(=O)CCN1CC(C)(C)OCC1(C)C ZINC000808728859 586485350 /nfs/dbraw/zinc/48/53/50/586485350.db2.gz WTVQJEHNJCXBMO-UHFFFAOYSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CCc2ccc(O)cc2C1 ZINC000808737997 586485757 /nfs/dbraw/zinc/48/57/57/586485757.db2.gz SYUOCKPLRRNBTP-UHFFFAOYSA-N 0 1 247.338 2.366 20 0 BEADMN CC(C)C(=O)CCN1CCc2ccc(O)cc2C1 ZINC000808737997 586485758 /nfs/dbraw/zinc/48/57/58/586485758.db2.gz SYUOCKPLRRNBTP-UHFFFAOYSA-N 0 1 247.338 2.366 20 0 BEADMN CC(C)C(=O)CCN1CCC(F)(F)CC1 ZINC000808755354 586489279 /nfs/dbraw/zinc/48/92/79/586489279.db2.gz CTCVLJUEQNYYNE-UHFFFAOYSA-N 0 1 219.275 2.333 20 0 BEADMN Cc1nc([C@@H](C)Sc2nccn2C2CC2)n[nH]1 ZINC000840159091 586495149 /nfs/dbraw/zinc/49/51/49/586495149.db2.gz XOMLRNLSRNZYJQ-SSDOTTSWSA-N 0 1 249.343 2.498 20 0 BEADMN Cc1nc([C@H](C)Sc2nccn2C2CC2)n[nH]1 ZINC000840159092 586495495 /nfs/dbraw/zinc/49/54/95/586495495.db2.gz XOMLRNLSRNZYJQ-ZETCQYMHSA-N 0 1 249.343 2.498 20 0 BEADMN CN(CN1C(=O)CC12CCC2)C1CC(C)(C)C1 ZINC000840163297 586501326 /nfs/dbraw/zinc/50/13/26/586501326.db2.gz GRRZRVZIQIEOBW-UHFFFAOYSA-N 0 1 236.359 2.219 20 0 BEADMN CCN(CC(=O)NC)Cc1ccc2occc2c1 ZINC000809545844 586506636 /nfs/dbraw/zinc/50/66/36/586506636.db2.gz SDXSHPKGYAGEQL-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CC[C@H](Cc1ccccc1)NCc1nonc1C ZINC000809745396 586516732 /nfs/dbraw/zinc/51/67/32/586516732.db2.gz SGLWFIKJPPLQDJ-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1ncsc1CN1CCOCC[C@@H]1C ZINC000809766221 586518411 /nfs/dbraw/zinc/51/84/11/586518411.db2.gz VKKNZICUYUDFDI-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN CCN(CN1C[C@@H](C)CC1=O)C1CC(C)(C)C1 ZINC000840184987 586520926 /nfs/dbraw/zinc/52/09/26/586520926.db2.gz UZYGHJWNOUUYDZ-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN CCC1CCC(N(C)Cc2cnn(C)n2)CC1 ZINC000809951621 586525647 /nfs/dbraw/zinc/52/56/47/586525647.db2.gz GCRWMRROKLGJSG-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN Cn1ncc(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000809999565 586530112 /nfs/dbraw/zinc/53/01/12/586530112.db2.gz KKHVBUMRIUQRDN-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN CC(C)c1cnc(CN[C@@](C)(CO)C(C)C)o1 ZINC000810076610 586532081 /nfs/dbraw/zinc/53/20/81/586532081.db2.gz KKHJQJULYXAPLL-ZDUSSCGKSA-N 0 1 240.347 2.295 20 0 BEADMN CC(C)[C@](C)(CO)NCc1coc(C2CC2)n1 ZINC000810173142 586535932 /nfs/dbraw/zinc/53/59/32/586535932.db2.gz WUHYOPAAUAZQRU-ZDUSSCGKSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)Cc2cnccn2)no1 ZINC000810214058 586536888 /nfs/dbraw/zinc/53/68/88/586536888.db2.gz MVQZUDJBTZYQCU-KOLCDFICSA-N 0 1 246.314 2.055 20 0 BEADMN CCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810538466 586540336 /nfs/dbraw/zinc/54/03/36/586540336.db2.gz DZEIIQNRWNVOPW-GFCCVEGCSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)(C)N1CC[C@](F)(C(=O)OCCCF)C1 ZINC000810594753 586542051 /nfs/dbraw/zinc/54/20/51/586542051.db2.gz OKHDSPABQGTSNW-GFCCVEGCSA-N 0 1 249.301 2.102 20 0 BEADMN CC(C)(C)N1CC[C@@](F)(C(=O)OC2CCC2)C1 ZINC000810603690 586542476 /nfs/dbraw/zinc/54/24/76/586542476.db2.gz RDCDGORUSGWIHU-ZDUSSCGKSA-N 0 1 243.322 2.295 20 0 BEADMN CCC/C=C/C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840208105 586545755 /nfs/dbraw/zinc/54/57/55/586545755.db2.gz JFZIUGFQZQRACM-HYDMIIDASA-N 0 1 223.276 2.074 20 0 BEADMN CCC/C(C)=C\C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840218130 586551729 /nfs/dbraw/zinc/55/17/29/586551729.db2.gz IKTWQWANAQVXTA-FUOZMLNRSA-N 0 1 237.303 2.464 20 0 BEADMN CCC(C)(C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840220888 586552624 /nfs/dbraw/zinc/55/26/24/586552624.db2.gz HRBRSMKIVQWKJM-ZETCQYMHSA-N 0 1 225.292 2.154 20 0 BEADMN CCCCN(C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811729293 586566463 /nfs/dbraw/zinc/56/64/63/586566463.db2.gz NBCGGIGFPRVNKW-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC000840250378 586574595 /nfs/dbraw/zinc/57/45/95/586574595.db2.gz MVDIKXZZYYVPIO-WPRPVWTQSA-N 0 1 249.314 2.298 20 0 BEADMN O=C(NOC/C=C/Cl)[C@H]1Cc2ccccc21 ZINC000812403371 586575985 /nfs/dbraw/zinc/57/59/85/586575985.db2.gz NEGZNZKGEIWSAJ-GQOHGMTASA-N 0 1 237.686 2.127 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CCC2CCC2)n[nH]1 ZINC000840254524 586577342 /nfs/dbraw/zinc/57/73/42/586577342.db2.gz CIFDCBFFMWAHJT-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN O=C(NOC1CCC1)c1ccc(Cl)cc1O ZINC000812790194 586585016 /nfs/dbraw/zinc/58/50/16/586585016.db2.gz LGAWFSZVUVALCO-UHFFFAOYSA-N 0 1 241.674 2.260 20 0 BEADMN CC[C@@H](C(=O)OC1CC(C)C1)N(CC)CC ZINC000813233739 586598561 /nfs/dbraw/zinc/59/85/61/586598561.db2.gz XVYOJZYBQOQRPU-MCIGGMRASA-N 0 1 227.348 2.449 20 0 BEADMN CCC(=CC(=O)O[C@@H](C)c1n[nH]c(C)n1)CC ZINC000840290522 586602972 /nfs/dbraw/zinc/60/29/72/586602972.db2.gz FIQCPASYRGYLIL-QMMMGPOBSA-N 0 1 237.303 2.464 20 0 BEADMN C[N@H+]1C[C@@H]2CCN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC000814145597 586614662 /nfs/dbraw/zinc/61/46/62/586614662.db2.gz OGFJPQGDZWPYDQ-UONOGXRCSA-N 0 1 248.370 2.039 20 0 BEADMN CC=CC=CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814358109 586621548 /nfs/dbraw/zinc/62/15/48/586621548.db2.gz BVOIQHUMHWOCBB-MDAAKZFYSA-N 0 1 249.314 2.278 20 0 BEADMN CC=CC=CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814358109 586621549 /nfs/dbraw/zinc/62/15/49/586621549.db2.gz BVOIQHUMHWOCBB-MDAAKZFYSA-N 0 1 249.314 2.278 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)C=C2CCC2)[nH]1 ZINC000814459679 586622241 /nfs/dbraw/zinc/62/22/41/586622241.db2.gz YXUFCINXMYJWPT-UHFFFAOYSA-N 0 1 249.314 2.256 20 0 BEADMN CC(C)(C)c1nc(COC(=O)C=C2CCC2)n[nH]1 ZINC000814459679 586622242 /nfs/dbraw/zinc/62/22/42/586622242.db2.gz YXUFCINXMYJWPT-UHFFFAOYSA-N 0 1 249.314 2.256 20 0 BEADMN CC(F)(F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000815134830 586668401 /nfs/dbraw/zinc/66/84/01/586668401.db2.gz KIISCFAJMAWKQX-UHFFFAOYSA-N 0 1 225.198 2.157 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1C[C@H](C)[C@@H]1C ZINC000815163588 586671723 /nfs/dbraw/zinc/67/17/23/586671723.db2.gz PVWQTABIASIXNN-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)n1nccc1CN1C[C@@H](C)[C@@H]1C ZINC000815162042 586671874 /nfs/dbraw/zinc/67/18/74/586671874.db2.gz ATVQDTUYFQUKJU-MNOVXSKESA-N 0 1 207.321 2.304 20 0 BEADMN CCC(=O)CCN1CCOC[C@@H]1CC1CCC1 ZINC000815292487 586677200 /nfs/dbraw/zinc/67/72/00/586677200.db2.gz QSFSWWWEDQDZFE-ZDUSSCGKSA-N 0 1 239.359 2.247 20 0 BEADMN Cc1cc(COC(=O)[C@@H](C(C)C)N(C)C)co1 ZINC000816242306 586715202 /nfs/dbraw/zinc/71/52/02/586715202.db2.gz CCWLNQRVAJIVJM-GFCCVEGCSA-N 0 1 239.315 2.217 20 0 BEADMN CC(F)(F)CNCC1CCC2(CC1)OCCO2 ZINC000816642813 586748106 /nfs/dbraw/zinc/74/81/06/586748106.db2.gz MAMCJAUBUBUWLD-UHFFFAOYSA-N 0 1 249.301 2.165 20 0 BEADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)C[C@H](C)N1C ZINC000816653723 586752497 /nfs/dbraw/zinc/75/24/97/586752497.db2.gz FWZVDMPXETZCBA-PHIMTYICSA-N 0 1 249.358 2.076 20 0 BEADMN C=C=CCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000816700174 586758483 /nfs/dbraw/zinc/75/84/83/586758483.db2.gz RJEPCJNXNRQWAT-AWEZNQCLSA-N 0 1 244.338 2.137 20 0 BEADMN CC[C@H](C)CONC(=O)c1cccc2cn[nH]c21 ZINC000816976451 586776426 /nfs/dbraw/zinc/77/64/26/586776426.db2.gz CYEQTDCWPLOGRP-VIFPVBQESA-N 0 1 247.298 2.270 20 0 BEADMN CC[C@H](C)CONC(=O)[C@H]1Cc2ccccc21 ZINC000816979222 586777287 /nfs/dbraw/zinc/77/72/87/586777287.db2.gz KLLNFTSOQSMXFA-GWCFXTLKSA-N 0 1 233.311 2.420 20 0 BEADMN COC/C=C/C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017458 586779203 /nfs/dbraw/zinc/77/92/03/586779203.db2.gz OREBTAAUMWGUQM-ONEGZZNKSA-N 0 1 245.282 2.012 20 0 BEADMN CC(C)(C)c1nc(CNc2cccc(F)n2)n[nH]1 ZINC000840335011 586782111 /nfs/dbraw/zinc/78/21/11/586782111.db2.gz MBWGZOUSLLNYFE-UHFFFAOYSA-N 0 1 249.293 2.248 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000817197964 586785269 /nfs/dbraw/zinc/78/52/69/586785269.db2.gz GDCIRRIBMCDFIO-BBHBSTQDSA-N 0 1 249.314 2.154 20 0 BEADMN CN(CCF)C1CC(OC(C)(C)C)C1 ZINC000817288076 586793438 /nfs/dbraw/zinc/79/34/38/586793438.db2.gz UTAAAKGDLPXYHZ-UHFFFAOYSA-N 0 1 203.301 2.234 20 0 BEADMN CCC1(CC)CCN(CN(C)C2CCC2)C1=O ZINC000817360918 586799155 /nfs/dbraw/zinc/79/91/55/586799155.db2.gz VSZAGIBXBQASNO-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN O=C(NOCCC1CC1)c1cccc2cn[nH]c21 ZINC000817388352 586800658 /nfs/dbraw/zinc/80/06/58/586800658.db2.gz VVKHAUNSMXYDAL-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN Clc1ncccc1CN[C@@H]1CC12CC2 ZINC000818229995 586880812 /nfs/dbraw/zinc/88/08/12/586880812.db2.gz LMNMLYIUWLCEDH-SECBINFHSA-N 0 1 208.692 2.377 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C(C2CC2)C2CC2)n[nH]1 ZINC000840358462 586888040 /nfs/dbraw/zinc/88/80/40/586888040.db2.gz BJBQRLANMZCENE-SSDOTTSWSA-N 0 1 249.314 2.154 20 0 BEADMN C[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@@H](C)N1 ZINC000818554264 586900225 /nfs/dbraw/zinc/90/02/25/586900225.db2.gz QMBFGQLWVQMMHD-VXGBXAGGSA-N 0 1 236.359 2.086 20 0 BEADMN CCCCC[C@H](C)CC(=O)Nc1c[nH]nn1 ZINC000819489462 586969232 /nfs/dbraw/zinc/96/92/32/586969232.db2.gz XTZWUQOWCBAKIY-VIFPVBQESA-N 0 1 224.308 2.350 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000819895189 587001197 /nfs/dbraw/zinc/00/11/97/587001197.db2.gz BPUVESFPPLOHEC-SECBINFHSA-N 0 1 232.283 2.073 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)CN1CCCC1 ZINC000820188016 587033135 /nfs/dbraw/zinc/03/31/35/587033135.db2.gz BRJLMDGLPNWRPC-CYBMUJFWSA-N 0 1 238.375 2.263 20 0 BEADMN CC[C@H](C)[C@H]([NH2+]Cc1nc(C)cs1)C(=O)[O-] ZINC000820465884 587050383 /nfs/dbraw/zinc/05/03/83/587050383.db2.gz XWTJIWZMJOKYKK-XVKPBYJWSA-N 0 1 242.344 2.040 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2[nH]ccc21 ZINC000820586195 587056101 /nfs/dbraw/zinc/05/61/01/587056101.db2.gz QADBDELQCGGFIQ-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@@H]1c1ccccc1 ZINC000820586166 587056399 /nfs/dbraw/zinc/05/63/99/587056399.db2.gz OEKXAPTYVMJZMQ-QWHCGFSZSA-N 0 1 233.311 2.197 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC000820586165 587056452 /nfs/dbraw/zinc/05/64/52/587056452.db2.gz OEKXAPTYVMJZMQ-OLZOCXBDSA-N 0 1 233.311 2.197 20 0 BEADMN C[C@H](F)CCNC(=O)c1cc(F)cc(F)c1O ZINC000820631628 587060101 /nfs/dbraw/zinc/06/01/01/587060101.db2.gz RHGTZDGPADZFRF-LURJTMIESA-N 0 1 247.216 2.148 20 0 BEADMN C[C@H](F)CCNC(=O)c1cccc(F)c1O ZINC000820629272 587060217 /nfs/dbraw/zinc/06/02/17/587060217.db2.gz BITAVOPUXLPRRA-ZETCQYMHSA-N 0 1 229.226 2.009 20 0 BEADMN C[C@H](N[C@@H]1CCc2ccccc21)c1cnnn1C ZINC000820805910 587073166 /nfs/dbraw/zinc/07/31/66/587073166.db2.gz VACMHWDKPKGKGD-GXFFZTMASA-N 0 1 242.326 2.153 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000820824208 587074809 /nfs/dbraw/zinc/07/48/09/587074809.db2.gz DMZGVHMUTPHDFL-CYBMUJFWSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@H](C)N(OC)C(=O)CN(C)CC(C)(C)C ZINC000821036943 587089886 /nfs/dbraw/zinc/08/98/86/587089886.db2.gz PTBJTXPGMHVFIU-NSHDSACASA-N 0 1 244.379 2.153 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000821105671 587095918 /nfs/dbraw/zinc/09/59/18/587095918.db2.gz DBFCNZWGWDMSSY-MNOVXSKESA-N 0 1 249.358 2.210 20 0 BEADMN Cc1cccc([C@@H]2CC[N@@H+](CCC(=O)[O-])C2)c1 ZINC000821112369 587096521 /nfs/dbraw/zinc/09/65/21/587096521.db2.gz WEMFPIWZLSWDMB-CYBMUJFWSA-N 0 1 233.311 2.259 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCCCCCC1 ZINC000821343028 587109590 /nfs/dbraw/zinc/10/95/90/587109590.db2.gz UBCXCXDVTKYZLZ-NSHDSACASA-N 0 1 234.347 2.386 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(C)CC1(C)C ZINC000821453219 587120726 /nfs/dbraw/zinc/12/07/26/587120726.db2.gz MXVFLBDNUXHTOI-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000821511224 587123997 /nfs/dbraw/zinc/12/39/97/587123997.db2.gz DMFSUTSCNYIGDR-NSHDSACASA-N 0 1 244.294 2.074 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1CCC12CCC2)N(C)C ZINC000821793861 587138303 /nfs/dbraw/zinc/13/83/03/587138303.db2.gz HDUQWJCMGFGMDB-NEPJUHHUSA-N 0 1 239.359 2.449 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)C[C@@H]1C ZINC000821911698 587146172 /nfs/dbraw/zinc/14/61/72/587146172.db2.gz BTUDWBGKZHMVNH-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000821913466 587146252 /nfs/dbraw/zinc/14/62/52/587146252.db2.gz XLNVVTIVOHVZTO-CYBMUJFWSA-N 0 1 238.375 2.263 20 0 BEADMN O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1O ZINC000822040289 587150088 /nfs/dbraw/zinc/15/00/88/587150088.db2.gz OPDQFKOOPUTIHI-ONGXEEELSA-N 0 1 249.285 2.307 20 0 BEADMN CC(C)N(CC1CCC1)C(=O)CN1CCCC1 ZINC000822472807 587170246 /nfs/dbraw/zinc/17/02/46/587170246.db2.gz NBPLUNNVCQDHKP-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1O ZINC000822480072 587171106 /nfs/dbraw/zinc/17/11/06/587171106.db2.gz VNTUMGVFZQUBRH-UBHAPETDSA-N 0 1 249.285 2.450 20 0 BEADMN CN(C(=O)CN1CCCC1)[C@@H]1CCC(C)(C)C1 ZINC000822603547 587177180 /nfs/dbraw/zinc/17/71/80/587177180.db2.gz WRUGQCYYQMZFJM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)(C)C(C)(C)CNC(=O)CN1CCCC1 ZINC000823130394 587204093 /nfs/dbraw/zinc/20/40/93/587204093.db2.gz MSMQAZHOYFNVOA-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2=CCCCC2)n[nH]1 ZINC000840477253 587206459 /nfs/dbraw/zinc/20/64/59/587206459.db2.gz QTEMYZAJKJWAJH-QMMMGPOBSA-N 0 1 235.287 2.218 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)C[C@@H]1CC ZINC000823196708 587207930 /nfs/dbraw/zinc/20/79/30/587207930.db2.gz BLDGFXXBDAHWOV-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC1(C)CCC[C@H]1CNC(=O)CN1CCCC1 ZINC000823202674 587208290 /nfs/dbraw/zinc/20/82/90/587208290.db2.gz LIGIUQLRKHNMHH-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1cc(CNC(=O)[C@]2(C)CCC[C@H]2C)n[nH]1 ZINC000823286143 587213524 /nfs/dbraw/zinc/21/35/24/587213524.db2.gz CULHLTIFUQBUSP-QMTHXVAHSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n[nH]1 ZINC000823287336 587214042 /nfs/dbraw/zinc/21/40/42/587214042.db2.gz XZEIPFNEGKSLLX-NRUUGDAUSA-N 0 1 247.342 2.025 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000823293117 587214542 /nfs/dbraw/zinc/21/45/42/587214542.db2.gz VEDSLVHIIWSNMX-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000823379498 587218744 /nfs/dbraw/zinc/21/87/44/587218744.db2.gz OUIHGROAMPHLLE-PHIMTYICSA-N 0 1 236.363 2.084 20 0 BEADMN CCn1nc(C)c(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000823458897 587223280 /nfs/dbraw/zinc/22/32/80/587223280.db2.gz JKVVONAJXJNPPO-WDEREUQCSA-N 0 1 236.363 2.084 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000823459480 587223497 /nfs/dbraw/zinc/22/34/97/587223497.db2.gz UZMNYWARBVLTQC-QWRGUYRKSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000823458894 587223578 /nfs/dbraw/zinc/22/35/78/587223578.db2.gz JKVVONAJXJNPPO-GHMZBOCLSA-N 0 1 236.363 2.084 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)CN1CCCC1 ZINC000823484918 587225611 /nfs/dbraw/zinc/22/56/11/587225611.db2.gz FYYJXGVXCFLSBW-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H](NC(=O)CN1CCCC1)C1CCC1 ZINC000823547427 587230654 /nfs/dbraw/zinc/23/06/54/587230654.db2.gz WMOCSPQWYYJWCU-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000823573689 587231371 /nfs/dbraw/zinc/23/13/71/587231371.db2.gz OUNGCONEOUSGEA-GWCFXTLKSA-N 0 1 233.311 2.469 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCC1(C)CC1 ZINC000823634742 587233764 /nfs/dbraw/zinc/23/37/64/587233764.db2.gz NGEBXJZEDGIPHD-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN CN(C(=O)c1cccc(F)c1O)C(C)(C)C ZINC000823658721 587235079 /nfs/dbraw/zinc/23/50/79/587235079.db2.gz DHCLKQZVTSDPOB-UHFFFAOYSA-N 0 1 225.263 2.402 20 0 BEADMN CC[C@H](NC(=O)CN1CCCC1)[C@H]1CC1(C)C ZINC000823683357 587236049 /nfs/dbraw/zinc/23/60/49/587236049.db2.gz UXNXJKAIQGGVON-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCn1nc(C)c(CNC2(CC)CCC2)n1 ZINC000823971679 587247755 /nfs/dbraw/zinc/24/77/55/587247755.db2.gz WFWIHBSHIDAXMT-UHFFFAOYSA-N 0 1 222.336 2.029 20 0 BEADMN CC/C=C(\C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824050762 587251873 /nfs/dbraw/zinc/25/18/73/587251873.db2.gz KCBQNZWWMPJZRJ-RMKNXTFCSA-N 0 1 221.304 2.033 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C1\CC[C@@H](C)C1 ZINC000824050902 587251877 /nfs/dbraw/zinc/25/18/77/587251877.db2.gz LPYMCKSNNACCFN-CEXMDJMXSA-N 0 1 247.342 2.423 20 0 BEADMN CC/C(C)=C(/C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824057274 587252750 /nfs/dbraw/zinc/25/27/50/587252750.db2.gz QBXJBEJBZQLAFM-KTKRTIGZSA-N 0 1 235.331 2.423 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1cc(F)ncc1F ZINC000824147881 587258370 /nfs/dbraw/zinc/25/83/70/587258370.db2.gz QZHNIRUMSPAYJX-UFBFGSQYSA-N 0 1 242.269 2.017 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824239783 587262494 /nfs/dbraw/zinc/26/24/94/587262494.db2.gz ZHXPMUUEOOPETI-NEPJUHHUSA-N 0 1 240.347 2.249 20 0 BEADMN CCC[C@H](CC)C(=O)N(C)Cc1cnc[nH]1 ZINC000824355739 587267464 /nfs/dbraw/zinc/26/74/64/587267464.db2.gz VRXKHVQAONNRFW-JTQLQIEISA-N 0 1 223.320 2.194 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000824403717 587269741 /nfs/dbraw/zinc/26/97/41/587269741.db2.gz ZMESSHZWQDGVAE-CYBMUJFWSA-N 0 1 248.374 2.228 20 0 BEADMN COC1CC(NCc2cc(F)cnc2Cl)C1 ZINC000824543808 587275487 /nfs/dbraw/zinc/27/54/87/587275487.db2.gz OZDGDKRLYFWTDV-UHFFFAOYSA-N 0 1 244.697 2.141 20 0 BEADMN Clc1ncccc1CNCC1=CCOCC1 ZINC000824596036 587278646 /nfs/dbraw/zinc/27/86/46/587278646.db2.gz FEEGLJIVXMIJMN-UHFFFAOYSA-N 0 1 238.718 2.171 20 0 BEADMN Cc1cc(CNCc2n[nH]c(C(C)C)n2)c(C)o1 ZINC000824602764 587279093 /nfs/dbraw/zinc/27/90/93/587279093.db2.gz FCZFBFGLRZHPGT-UHFFFAOYSA-N 0 1 248.330 2.428 20 0 BEADMN CN(Cc1ccoc1)[C@H](CO)c1ccccc1 ZINC000824696682 587283224 /nfs/dbraw/zinc/28/32/24/587283224.db2.gz PVQLOCLZXQIRCQ-CQSZACIVSA-N 0 1 231.295 2.445 20 0 BEADMN CC/C=C/CNCc1cnc([C@@H](C)O)s1 ZINC000824709131 587283920 /nfs/dbraw/zinc/28/39/20/587283920.db2.gz NGXQPDGHXVIMFT-XNPJLODASA-N 0 1 226.345 2.252 20 0 BEADMN C[C@]1(CNCc2ncc[nH]2)CC1(Cl)Cl ZINC000824765460 587286545 /nfs/dbraw/zinc/28/65/45/587286545.db2.gz LQFNBHPSMMBZEW-MRVPVSSYSA-N 0 1 234.130 2.083 20 0 BEADMN CCCn1nccc1CN1CCC1(C)C ZINC000824825116 587289406 /nfs/dbraw/zinc/28/94/06/587289406.db2.gz MVFYSNNVRZIQNE-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CCc1nc(CN[C@@H]2CCC[C@@H](OC)C2)co1 ZINC000825062379 587301930 /nfs/dbraw/zinc/30/19/30/587301930.db2.gz UBZNBKOJIGSSRQ-ZYHUDNBSSA-N 0 1 238.331 2.284 20 0 BEADMN CCCc1ncc(CNC[C@@H]2CCC=CO2)o1 ZINC000825086641 587303337 /nfs/dbraw/zinc/30/33/37/587303337.db2.gz USGPFEVXYYOCMX-NSHDSACASA-N 0 1 236.315 2.409 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC000825195802 587308756 /nfs/dbraw/zinc/30/87/56/587308756.db2.gz WIJIVVJDIZGPSE-JQWIXIFHSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@@]12C[C@@H]1CCCC2)N(C)C ZINC000825251476 587311391 /nfs/dbraw/zinc/31/13/91/587311391.db2.gz ZHKCTGQTIILKDI-OWTLIXCDSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000825266269 587311882 /nfs/dbraw/zinc/31/18/82/587311882.db2.gz VAWWOUNTOYLUDJ-PWSUYJOCSA-N 0 1 240.347 2.155 20 0 BEADMN Cc1cccc(CONC(=O)[C@@]2(C)C=CCC2)n1 ZINC000825571880 587325820 /nfs/dbraw/zinc/32/58/20/587325820.db2.gz AOYNJUHCLIWVPS-AWEZNQCLSA-N 0 1 246.310 2.294 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)CCNC(=O)[O-] ZINC000825646044 587329233 /nfs/dbraw/zinc/32/92/33/587329233.db2.gz XZANFAKUGVCACH-MRVPVSSYSA-N 0 1 228.317 2.009 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@@H](c2ccco2)C1)C(=O)[O-] ZINC000825736193 587335261 /nfs/dbraw/zinc/33/52/61/587335261.db2.gz WDGQJJDZAAGCTC-LLMHMKPQSA-N 0 1 235.283 2.100 20 0 BEADMN C/C(=C\C[N@@H+]1Cc2ccccc2C[C@H]1C)C(=O)[O-] ZINC000825745659 587336484 /nfs/dbraw/zinc/33/64/84/587336484.db2.gz BXZCCYGHQXZAGA-YTRUQHMWSA-N 0 1 245.322 2.464 20 0 BEADMN CC1(C)C(NCc2cc3n(n2)CCC3)C1(C)C ZINC000825928535 587346007 /nfs/dbraw/zinc/34/60/07/587346007.db2.gz YDHNABBAZJAGRJ-UHFFFAOYSA-N 0 1 233.359 2.354 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[O-] ZINC000825951557 587346821 /nfs/dbraw/zinc/34/68/21/587346821.db2.gz XYHREJZYXUJLIN-GFCCVEGCSA-N 0 1 248.326 2.261 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)[C@H]1C ZINC000825950327 587346954 /nfs/dbraw/zinc/34/69/54/587346954.db2.gz FWXWAXOQLIXHSR-QWRGUYRKSA-N 0 1 240.347 2.107 20 0 BEADMN CCOC1CCC(NC(CF)CF)CC1 ZINC000826030255 587348944 /nfs/dbraw/zinc/34/89/44/587348944.db2.gz UITUQSXAMALYEB-UHFFFAOYSA-N 0 1 221.291 2.231 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000826644713 587357647 /nfs/dbraw/zinc/35/76/47/587357647.db2.gz KXWRXADNMGNOJF-DGCLKSJQSA-N 0 1 240.347 2.108 20 0 BEADMN CC[C@@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000826675343 587358722 /nfs/dbraw/zinc/35/87/22/587358722.db2.gz JHNSSHDSWYMGFU-LLVKDONJSA-N 0 1 240.347 2.108 20 0 BEADMN CC[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000826676222 587358895 /nfs/dbraw/zinc/35/88/95/587358895.db2.gz XOCQIPHHPZKDQJ-NEPJUHHUSA-N 0 1 240.347 2.108 20 0 BEADMN CC12CC(C1)CN2C(=O)c1cccc(F)c1O ZINC000826782867 587362284 /nfs/dbraw/zinc/36/22/84/587362284.db2.gz DRWWBCZGSUZWIX-UHFFFAOYSA-N 0 1 235.258 2.156 20 0 BEADMN CCC[N@@H+](CC1CCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826907333 587365154 /nfs/dbraw/zinc/36/51/54/587365154.db2.gz NAFHZXBLGFXGBE-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN CC/C(C)=C/C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000826937811 587366250 /nfs/dbraw/zinc/36/62/50/587366250.db2.gz NJEDQZWOCUFTIB-DHZHZOJOSA-N 0 1 247.342 2.472 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC[S@](C)=O ZINC000827477867 587382472 /nfs/dbraw/zinc/38/24/72/587382472.db2.gz IKIGBTQACBEUJN-WBMJQRKESA-N 0 1 239.384 2.366 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827499936 587383714 /nfs/dbraw/zinc/38/37/14/587383714.db2.gz QOBWXCOTQSLZJY-FFXRNRBCSA-N 0 1 238.375 2.141 20 0 BEADMN CCCC[C@@](C)(F)C(=O)NCc1cc(C)[nH]n1 ZINC000827687955 587396332 /nfs/dbraw/zinc/39/63/32/587396332.db2.gz WXSCGPNSYYUHRW-GFCCVEGCSA-N 0 1 241.310 2.253 20 0 BEADMN CC(C)(F)CNC(=O)c1cc(F)cc(F)c1O ZINC000827806025 587403882 /nfs/dbraw/zinc/40/38/82/587403882.db2.gz LJCIVHHOUGSKLT-UHFFFAOYSA-N 0 1 247.216 2.148 20 0 BEADMN CC/C(C)=C/C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000828094960 587419460 /nfs/dbraw/zinc/41/94/60/587419460.db2.gz FSDTZYCBBCHPMT-DPGNGVPNSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCOc2ccccc2[C@H]1C ZINC000828603066 587452801 /nfs/dbraw/zinc/45/28/01/587452801.db2.gz AUHLMFLDCXXGOI-ZYHUDNBSSA-N 0 1 249.310 2.305 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@@H]1C ZINC000828604235 587452975 /nfs/dbraw/zinc/45/29/75/587452975.db2.gz YKYMBTMRMWZVQN-CABZTGNLSA-N 0 1 219.284 2.426 20 0 BEADMN CC(C)O[C@@H]1CCN(C/C=C/Cl)C1 ZINC000828851011 587466579 /nfs/dbraw/zinc/46/65/79/587466579.db2.gz VKYCIKPPGNUMQT-RXNUUUNCSA-N 0 1 203.713 2.238 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000829012850 587479555 /nfs/dbraw/zinc/47/95/55/587479555.db2.gz VQJXXMSGHXKCLK-JSGCOSHPSA-N 0 1 248.374 2.371 20 0 BEADMN CC/C(C)=C\C(=O)Nc1cc(N(C)C)ccn1 ZINC000829046630 587480763 /nfs/dbraw/zinc/48/07/63/587480763.db2.gz HNITVHACZPFQKM-NTMALXAHSA-N 0 1 233.315 2.442 20 0 BEADMN C/C=C(/C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829079130 587482442 /nfs/dbraw/zinc/48/24/42/587482442.db2.gz MDRZLMWFAAFPRC-KMKOMSMNSA-N 0 1 245.326 2.140 20 0 BEADMN C[C@@H]1CN(C)C(=O)CN1CCC1=CCCCC1 ZINC000829108186 587482826 /nfs/dbraw/zinc/48/28/26/587482826.db2.gz VCJAQYTXFZYNSW-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000829139618 587484178 /nfs/dbraw/zinc/48/41/78/587484178.db2.gz RBPNECHRVDIPFT-GHMZBOCLSA-N 0 1 247.342 2.308 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC(F)CC1 ZINC000829200153 587488285 /nfs/dbraw/zinc/48/82/85/587488285.db2.gz RBEBHDLLCZAEQI-UHFFFAOYSA-N 0 1 241.237 2.105 20 0 BEADMN CC(C)C[C@@H](C)N1CCO[C@H](C(F)F)C1 ZINC000829506846 587499401 /nfs/dbraw/zinc/49/94/01/587499401.db2.gz YTPKATVVDQXTBT-ZJUUUORDSA-N 0 1 221.291 2.387 20 0 BEADMN CCC(C)=CC(=O)N[C@H](CC)c1ncc[nH]1 ZINC000829542044 587502905 /nfs/dbraw/zinc/50/29/05/587502905.db2.gz FJKDGXAJDDHDNC-HSTULFTRSA-N 0 1 221.304 2.333 20 0 BEADMN CCc1oc(C(=O)[O-])cc1Cn1c[nH+]c(C)c1C ZINC000830398251 587549508 /nfs/dbraw/zinc/54/95/08/587549508.db2.gz JADHLYAHGUHLEO-UHFFFAOYSA-N 0 1 248.282 2.402 20 0 BEADMN Cc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)[nH+]c1 ZINC000830396326 587549777 /nfs/dbraw/zinc/54/97/77/587549777.db2.gz YDEUESOIQAWQAN-LLVKDONJSA-N 0 1 249.314 2.192 20 0 BEADMN Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000830553529 587557969 /nfs/dbraw/zinc/55/79/69/587557969.db2.gz IVUFAMGNXNPMPO-RYUDHWBXSA-N 0 1 248.326 2.398 20 0 BEADMN Cc1cc(CNC(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC000830578614 587559073 /nfs/dbraw/zinc/55/90/73/587559073.db2.gz DAZYHFVYTUTFKW-JTQLQIEISA-N 0 1 239.319 2.379 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000830787763 587570420 /nfs/dbraw/zinc/57/04/20/587570420.db2.gz IORKLISRBVYWBS-FCZSHJHJSA-N 0 1 249.314 2.464 20 0 BEADMN CCC(=O)CCN1C[C@H](C)OC2(CCCC2)C1 ZINC000830860717 587574213 /nfs/dbraw/zinc/57/42/13/587574213.db2.gz NJBPJNOLJBEPSY-LBPRGKRZSA-N 0 1 239.359 2.389 20 0 BEADMN C[C@H]1CN(C(=O)OC2CCCC2)[C@@H](C)CN1C ZINC000831009784 587582556 /nfs/dbraw/zinc/58/25/56/587582556.db2.gz GJYNNCCKLBRJDA-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN CCn1cc([C@H](C)NC/C=C\Cl)cn1 ZINC000832310540 587653621 /nfs/dbraw/zinc/65/36/21/587653621.db2.gz UCXOIXDEWCMOOM-WBSSQXGSSA-N 0 1 213.712 2.306 20 0 BEADMN CCn1nc(C)c(CN2[C@H](C)CCC2(C)C)n1 ZINC000832566072 587667042 /nfs/dbraw/zinc/66/70/42/587667042.db2.gz ZBNHFLIWCWLUCM-SNVBAGLBSA-N 0 1 236.363 2.369 20 0 BEADMN CC(C)COC(=O)CN1[C@H](C)CCC1(C)C ZINC000832565433 587667178 /nfs/dbraw/zinc/66/71/78/587667178.db2.gz SXUHKTNIXIXGFX-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN O=C([O-])NCC[N@@H+](C1CC1)C1CCCCC1 ZINC000832636563 587671382 /nfs/dbraw/zinc/67/13/82/587671382.db2.gz UAGUAPUHWCLQLR-UHFFFAOYSA-N 0 1 226.320 2.051 20 0 BEADMN Cc1ccc(CN(C)CC[S@](C)=O)cc1C ZINC000832640274 587671738 /nfs/dbraw/zinc/67/17/38/587671738.db2.gz QMADCVRPVBNGJT-INIZCTEOSA-N 0 1 239.384 2.114 20 0 BEADMN Cc1ccc(NCc2c[nH]c(C(=O)[O-])c2)[nH+]c1 ZINC000832952276 587695304 /nfs/dbraw/zinc/69/53/04/587695304.db2.gz WOGCSKKTTCMRLU-UHFFFAOYSA-N 0 1 231.255 2.028 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000833172961 587700589 /nfs/dbraw/zinc/70/05/89/587700589.db2.gz YAYBYYULHWDNQG-WXHSDQCUSA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCF ZINC000833180075 587701306 /nfs/dbraw/zinc/70/13/06/587701306.db2.gz TZXSMNAGXFWEKE-VXGBXAGGSA-N 0 1 243.322 2.311 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCF ZINC000833180072 587701479 /nfs/dbraw/zinc/70/14/79/587701479.db2.gz TZXSMNAGXFWEKE-NEPJUHHUSA-N 0 1 243.322 2.311 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccncc1)C(=O)[O-] ZINC000833385487 587712219 /nfs/dbraw/zinc/71/22/19/587712219.db2.gz VTLLNFIQLPWNFX-TUOYRWMMSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C/C[N@H+]1CCc2cc(F)ccc2C1)C(=O)[O-] ZINC000833383781 587712241 /nfs/dbraw/zinc/71/22/41/587712241.db2.gz PPCVQGIIASGSDD-WMZJFQQLSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000833386374 587713100 /nfs/dbraw/zinc/71/31/00/587713100.db2.gz OYFKCBUOHAJFLX-BRADTZPFSA-N 0 1 245.322 2.496 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833483434 587716725 /nfs/dbraw/zinc/71/67/25/587716725.db2.gz KSERUNHANFTZQT-UHFFFAOYSA-N 0 1 224.304 2.191 20 0 BEADMN C[C@@H](Oc1ccc(C[N@@H+](C)C2CC2)cc1)C(=O)[O-] ZINC000833536384 587719319 /nfs/dbraw/zinc/71/93/19/587719319.db2.gz BRJMYWLAVSUPON-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CCCC2(C)C)O1 ZINC000833583539 587722105 /nfs/dbraw/zinc/72/21/05/587722105.db2.gz IZFWIWUEIOPTJX-JTQLQIEISA-N 0 1 239.315 2.008 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833602694 587723502 /nfs/dbraw/zinc/72/35/02/587723502.db2.gz KNAIHPQUAIQPQG-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000833613508 587724065 /nfs/dbraw/zinc/72/40/65/587724065.db2.gz XTILSCNRPNSLTE-NTZNESFSSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@@H]1F ZINC000833615677 587724102 /nfs/dbraw/zinc/72/41/02/587724102.db2.gz ICAGHFBPYDUXBN-SCZZXKLOSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@@H]1F ZINC000833615677 587724104 /nfs/dbraw/zinc/72/41/04/587724104.db2.gz ICAGHFBPYDUXBN-SCZZXKLOSA-N 0 1 241.262 2.158 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)CC(C)(C)C ZINC000833696175 587728344 /nfs/dbraw/zinc/72/83/44/587728344.db2.gz FSSOKRCEXRUHHN-UHFFFAOYSA-N 0 1 224.304 2.191 20 0 BEADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000833829079 587735030 /nfs/dbraw/zinc/73/50/30/587735030.db2.gz FIYATZSXMCCUBG-JQWIXIFHSA-N 0 1 240.347 2.155 20 0 BEADMN CCCCC[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833853630 587735947 /nfs/dbraw/zinc/73/59/47/587735947.db2.gz QYEZWLGOZZSSMA-MNOVXSKESA-N 0 1 228.336 2.155 20 0 BEADMN CCCCC[N@H+]1CC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833852285 587736029 /nfs/dbraw/zinc/73/60/29/587736029.db2.gz BFNGYABIVPNSBV-QWRGUYRKSA-N 0 1 228.336 2.155 20 0 BEADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC000834094470 587745097 /nfs/dbraw/zinc/74/50/97/587745097.db2.gz FDWDZUIAXFXQDX-NEPJUHHUSA-N 0 1 238.331 2.003 20 0 BEADMN Cc1cc(CC(=O)NCCC[C@H]2C=CCC2)[nH]n1 ZINC000834331219 587752248 /nfs/dbraw/zinc/75/22/48/587752248.db2.gz SFUDMUJCXGFTKA-LBPRGKRZSA-N 0 1 247.342 2.123 20 0 BEADMN CC[C@@H](c1nc(-c2cccc(N)c2)no1)N(C)C ZINC000834425505 587754922 /nfs/dbraw/zinc/75/49/22/587754922.db2.gz VNMNCIMXAGUYNI-NSHDSACASA-N 0 1 246.314 2.332 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@@H](C)C1CC1 ZINC000834469415 587755797 /nfs/dbraw/zinc/75/57/97/587755797.db2.gz AJONYOIEGSZXHU-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H]1OC ZINC000834542876 587759003 /nfs/dbraw/zinc/75/90/03/587759003.db2.gz AUDRBSWGACOYJF-SRVKXCTJSA-N 0 1 237.347 2.121 20 0 BEADMN CCc1nc(CN[C@@H](C)C(C)(C)OC)co1 ZINC000834898157 587769616 /nfs/dbraw/zinc/76/96/16/587769616.db2.gz JNRAINGWEBLAPN-VIFPVBQESA-N 0 1 226.320 2.140 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2cccnc2Cl)O1 ZINC000835086881 587781842 /nfs/dbraw/zinc/78/18/42/587781842.db2.gz KWFONMRDKCCZEO-ONGXEEELSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2cccnc2Cl)O1 ZINC000835086878 587781867 /nfs/dbraw/zinc/78/18/67/587781867.db2.gz KWFONMRDKCCZEO-KOLCDFICSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@H](CC(C)(C)C)OC(=O)CCc1nc[nH]n1 ZINC000835702440 587813521 /nfs/dbraw/zinc/81/35/21/587813521.db2.gz AZKPQYKBUPVMTB-SECBINFHSA-N 0 1 239.319 2.105 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C(C)=C(C)C)CC1 ZINC000837008420 587847085 /nfs/dbraw/zinc/84/70/85/587847085.db2.gz SCEIYQKIIYJPHK-GFCCVEGCSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n[nH]1 ZINC000840576590 587912142 /nfs/dbraw/zinc/91/21/42/587912142.db2.gz GPWMQGJEFRDCSI-SQFXPHBZSA-N 0 1 249.314 2.154 20 0 BEADMN CCn1ncc(-c2nc3ccc(C)cc3[nH]2)n1 ZINC000840765737 587920233 /nfs/dbraw/zinc/92/02/33/587920233.db2.gz IAXSLSGYJVQOTH-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN COCC(C)(C)CNc1nccn1C1CC1 ZINC000840886581 587928352 /nfs/dbraw/zinc/92/83/52/587928352.db2.gz HMAAJOBVAQZBBX-UHFFFAOYSA-N 0 1 223.320 2.303 20 0 BEADMN CO[C@@H](CNCc1ccoc1C)C(F)(F)F ZINC000840899065 587928813 /nfs/dbraw/zinc/92/88/13/587928813.db2.gz NDHZHRKVAYIWCH-VIFPVBQESA-N 0 1 237.221 2.255 20 0 BEADMN CC1(C)C[C@@H]1NCc1cn(-c2ccccc2)nn1 ZINC000840956099 587931715 /nfs/dbraw/zinc/93/17/15/587931715.db2.gz APHOYTSTHPNDCP-ZDUSSCGKSA-N 0 1 242.326 2.155 20 0 BEADMN C[C@H]1C[C@H](NCc2cc(F)ncc2F)CS1 ZINC000840959302 587932631 /nfs/dbraw/zinc/93/26/31/587932631.db2.gz RNWQSLXLIJHGSV-CBAPKCEASA-N 0 1 244.310 2.343 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000841890308 587981916 /nfs/dbraw/zinc/98/19/16/587981916.db2.gz MSMFDCGVLLHBLK-NHCYSSNCSA-N 0 1 236.363 2.083 20 0 BEADMN O=C1C[C@@H](C2CCCC2)CN1CN1CCCC1 ZINC000842591973 588044614 /nfs/dbraw/zinc/04/46/14/588044614.db2.gz FWFLKSCULALBJY-CYBMUJFWSA-N 0 1 236.359 2.078 20 0 BEADMN CCCCSCc1nc(C2(N)CCC2)no1 ZINC000842615099 588045258 /nfs/dbraw/zinc/04/52/58/588045258.db2.gz GWWUIZDZMMHQCW-UHFFFAOYSA-N 0 1 241.360 2.441 20 0 BEADMN C[C@H]1CN(CN(C)CCC(C)(C)C)C(=O)[C@@H]1C ZINC000842630363 588046675 /nfs/dbraw/zinc/04/66/75/588046675.db2.gz CCWLPUZRGQRAJH-NWDGAFQWSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@@H](C)C2)on1 ZINC000842679973 588051729 /nfs/dbraw/zinc/05/17/29/588051729.db2.gz USIJOMJWQPTAON-UWVGGRQHSA-N 0 1 224.304 2.065 20 0 BEADMN CC(C)c1cc(CN[C@H]2CO[C@H](C)C2)on1 ZINC000842679972 588051873 /nfs/dbraw/zinc/05/18/73/588051873.db2.gz USIJOMJWQPTAON-NXEZZACHSA-N 0 1 224.304 2.065 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)cnc2Cl)CO1 ZINC000842708761 588055064 /nfs/dbraw/zinc/05/50/64/588055064.db2.gz FKBLOXWDWBZUPT-XCBNKYQSSA-N 0 1 244.697 2.141 20 0 BEADMN CC(C)[C@H](N)c1noc(C[C@H](C)C2CC2)n1 ZINC000843149043 588087601 /nfs/dbraw/zinc/08/76/01/588087601.db2.gz IIUDIWBQPXUDNS-KWQFWETISA-N 0 1 223.320 2.314 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H](C)c2ccco2)n1 ZINC000843149407 588087604 /nfs/dbraw/zinc/08/76/04/588087604.db2.gz MPCMOHFWQLAUAS-PSASIEDQSA-N 0 1 235.287 2.470 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2conc2C2CC2)n1 ZINC000843150621 588087768 /nfs/dbraw/zinc/08/77/68/588087768.db2.gz BNOAPMBXZIFJDJ-VIFPVBQESA-N 0 1 248.286 2.258 20 0 BEADMN CS[C@@H](C)CCc1nc([C@@H](N)C(C)C)no1 ZINC000843151722 588087869 /nfs/dbraw/zinc/08/78/69/588087869.db2.gz OZZRFISDOALXEV-WPRPVWTQSA-N 0 1 243.376 2.410 20 0 BEADMN CCNCc1nc(-c2ccccc2CC)no1 ZINC000843177206 588089695 /nfs/dbraw/zinc/08/96/95/588089695.db2.gz CYHSAJMWPSJYHL-UHFFFAOYSA-N 0 1 231.299 2.409 20 0 BEADMN CCNCc1nc(-c2cc(C)cc(C)c2)no1 ZINC000843186332 588091553 /nfs/dbraw/zinc/09/15/53/588091553.db2.gz OWVZLCMCBUTUBF-UHFFFAOYSA-N 0 1 231.299 2.463 20 0 BEADMN CN(CC1(F)CC1)C[C@@]1(O)CCc2ccccc21 ZINC000843420552 588107501 /nfs/dbraw/zinc/10/75/01/588107501.db2.gz GZCIVPLHXFZUMA-HNNXBMFYSA-N 0 1 249.329 2.254 20 0 BEADMN CCn1ncc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000843437514 588110376 /nfs/dbraw/zinc/11/03/76/588110376.db2.gz JJBXEAIQTNOBLY-AWEZNQCLSA-N 0 1 248.374 2.453 20 0 BEADMN CCC/C(C)=C/C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000843469840 588113202 /nfs/dbraw/zinc/11/32/02/588113202.db2.gz XIEATYAIRNRCOA-YHDXHSTISA-N 0 1 236.359 2.086 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C2(F)CC2)c1 ZINC000843850329 588145117 /nfs/dbraw/zinc/14/51/17/588145117.db2.gz XXVWQXUPMWGMEG-UHFFFAOYSA-N 0 1 237.230 2.035 20 0 BEADMN CCCN(C(=O)C(C)=C(C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000843992357 588153977 /nfs/dbraw/zinc/15/39/77/588153977.db2.gz RCONPPCZNLLSIB-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CCCONC(=O)[C@H](C)c1cccs1 ZINC000844085353 588163834 /nfs/dbraw/zinc/16/38/34/588163834.db2.gz AFMWFBWPWUDNEC-MRVPVSSYSA-N 0 1 213.302 2.309 20 0 BEADMN CC(C)Oc1ccnc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000844312142 588183672 /nfs/dbraw/zinc/18/36/72/588183672.db2.gz DEQKQYSNRXRFIN-RISCZKNCSA-N 0 1 232.327 2.463 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1CCC(=O)C1CC1 ZINC000844386926 588187221 /nfs/dbraw/zinc/18/72/21/588187221.db2.gz QCISYZDYLBHUQX-GFCCVEGCSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](OC(C)C)C2)cn1 ZINC000844377277 588188205 /nfs/dbraw/zinc/18/82/05/588188205.db2.gz DVCOUKGFFQHHLR-CQSZACIVSA-N 0 1 249.358 2.174 20 0 BEADMN CCn1nc(C)c(CNC2(C3CCC3)CC2)n1 ZINC000844418405 588190402 /nfs/dbraw/zinc/19/04/02/588190402.db2.gz QJCXUTNBVJQEPS-UHFFFAOYSA-N 0 1 234.347 2.029 20 0 BEADMN FC1(F)C[C@@]12CCN(C/C=C/Cl)C2 ZINC000844472282 588198017 /nfs/dbraw/zinc/19/80/17/588198017.db2.gz WBURKICYZPRVDV-YUQHSTNDSA-N 0 1 207.651 2.470 20 0 BEADMN CC/C=C(\C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844644328 588211996 /nfs/dbraw/zinc/21/19/96/588211996.db2.gz NFNJFWKPLXIYII-NFBJFAETSA-N 0 1 238.375 2.282 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845736020 588243225 /nfs/dbraw/zinc/24/32/25/588243225.db2.gz NXOOEPBTSMUTNT-GMTAPVOTSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1csc(CN[C@@H](C)COCC2CC2)n1 ZINC000846072225 588255501 /nfs/dbraw/zinc/25/55/01/588255501.db2.gz DRCNAFVSSAIAOJ-VIFPVBQESA-N 0 1 240.372 2.356 20 0 BEADMN FC1(F)C[C@]12CCCN(Cc1cnccn1)C2 ZINC000846105963 588256730 /nfs/dbraw/zinc/25/67/30/588256730.db2.gz ZQEAJKIGBVLKDX-NSHDSACASA-N 0 1 239.269 2.098 20 0 BEADMN CC(C)c1ncc(CN(C)[C@H](C)CCO)s1 ZINC000846111457 588257459 /nfs/dbraw/zinc/25/74/59/588257459.db2.gz PIBGBJHXXWLXAQ-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN Fc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000846117027 588257853 /nfs/dbraw/zinc/25/78/53/588257853.db2.gz LZFFUXFBOCTIFN-LLVKDONJSA-N 0 1 242.244 2.452 20 0 BEADMN C[C@H](O)CCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846804938 588289693 /nfs/dbraw/zinc/28/96/93/588289693.db2.gz BBFUMBXGDVUQDE-QMMMGPOBSA-N 0 1 246.713 2.077 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(C)cn2)CC1 ZINC000846946084 588298135 /nfs/dbraw/zinc/29/81/35/588298135.db2.gz GIVPHOUOQMJXRP-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CC(=O)C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000846950656 588298470 /nfs/dbraw/zinc/29/84/70/588298470.db2.gz LDRHWSJEBXCGRS-NSHDSACASA-N 0 1 232.327 2.444 20 0 BEADMN CCONC(=O)c1cccc(C(F)(F)F)c1O ZINC000847313280 588310649 /nfs/dbraw/zinc/31/06/49/588310649.db2.gz ZMNOVOHFHHAUCA-UHFFFAOYSA-N 0 1 249.188 2.092 20 0 BEADMN O=C(CCC(F)F)OCc1cc(C2CC2)[nH]n1 ZINC000848011405 588346864 /nfs/dbraw/zinc/34/68/64/588346864.db2.gz MMOSHCJYBYAJDN-UHFFFAOYSA-N 0 1 244.241 2.376 20 0 BEADMN O=C(Cc1ccco1)OCc1cc(C2CC2)[nH]n1 ZINC000848012348 588347176 /nfs/dbraw/zinc/34/71/76/588347176.db2.gz LYSGDYHGSZUDDN-UHFFFAOYSA-N 0 1 246.266 2.166 20 0 BEADMN C[C@@H](NCc1cnc(Cl)n1C)c1ccc[nH]1 ZINC000848545589 588395220 /nfs/dbraw/zinc/39/52/20/588395220.db2.gz YVHLXQCCGTZIRQ-MRVPVSSYSA-N 0 1 238.722 2.252 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@@H]1CCC=CO1)CCC2 ZINC000848547970 588395562 /nfs/dbraw/zinc/39/55/62/588395562.db2.gz SSTSLWCZQMAXPM-RYUDHWBXSA-N 0 1 233.315 2.000 20 0 BEADMN C[C@H]1C[C@H](NCc2noc3ccccc32)CO1 ZINC000848576088 588399099 /nfs/dbraw/zinc/39/90/99/588399099.db2.gz ZKVOWIDGLOIQLQ-UWVGGRQHSA-N 0 1 232.283 2.095 20 0 BEADMN O=C([O-])C[N@@H+](CCc1cccs1)C1CCC1 ZINC000848599263 588401576 /nfs/dbraw/zinc/40/15/76/588401576.db2.gz GOKYGOCDMKYEPP-UHFFFAOYSA-N 0 1 239.340 2.230 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2COC)no1 ZINC000848622257 588402152 /nfs/dbraw/zinc/40/21/52/588402152.db2.gz SMPMWZMHZIKWON-VIFPVBQESA-N 0 1 247.298 2.163 20 0 BEADMN CN(Cc1cnc(Cl)n1C)[C@@H]1CCSC1 ZINC000848881938 588415843 /nfs/dbraw/zinc/41/58/43/588415843.db2.gz UCFYSFLXBQTKHJ-MRVPVSSYSA-N 0 1 245.779 2.011 20 0 BEADMN CN(Cc1cnc(Cl)n1C)C1CCC1 ZINC000848886853 588416996 /nfs/dbraw/zinc/41/69/96/588416996.db2.gz JHBXLOLITRIQHO-UHFFFAOYSA-N 0 1 213.712 2.058 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cnc(Cl)n1C ZINC000848891484 588417724 /nfs/dbraw/zinc/41/77/24/588417724.db2.gz YZYFWFOZEQWFJI-RKDXNWHRSA-N 0 1 227.739 2.446 20 0 BEADMN C[C@H]1CCN(Cc2cnc(Cl)n2C)[C@H]1C ZINC000848888319 588417964 /nfs/dbraw/zinc/41/79/64/588417964.db2.gz AAESESRJJRGIES-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN CCCCCCn1cc(C(C)(C)NC)nn1 ZINC000849140876 588454634 /nfs/dbraw/zinc/45/46/34/588454634.db2.gz UYMAOSBVIXIIFJ-UHFFFAOYSA-N 0 1 224.352 2.313 20 0 BEADMN CN(C)C(=O)[C@@H](N[C@H]1C=CCC1)c1ccccc1 ZINC000849323050 588472491 /nfs/dbraw/zinc/47/24/91/588472491.db2.gz MAZPMGCWNSAUFB-KBPBESRZSA-N 0 1 244.338 2.124 20 0 BEADMN COc1cncc(CNc2nccn2C2CC2)c1 ZINC000849347197 588474263 /nfs/dbraw/zinc/47/42/63/588474263.db2.gz WAQCRXHOJZMBSA-UHFFFAOYSA-N 0 1 244.298 2.234 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2ccccc2)n[nH]1 ZINC000849634922 588482847 /nfs/dbraw/zinc/48/28/47/588482847.db2.gz XPWKDFTWHUMFAU-VIFPVBQESA-N 0 1 245.282 2.285 20 0 BEADMN CCC/C=C/C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849693982 588487018 /nfs/dbraw/zinc/48/70/18/588487018.db2.gz BPRJHZLWTOCEFO-FCZSHJHJSA-N 0 1 237.303 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C(CC)CC)n[nH]1 ZINC000849695138 588487291 /nfs/dbraw/zinc/48/72/91/588487291.db2.gz VROSIUFTRBWTGT-MRVPVSSYSA-N 0 1 239.319 2.408 20 0 BEADMN CC1(C)C[C@H](NCc2cccnc2Cl)CO1 ZINC000850341862 588537644 /nfs/dbraw/zinc/53/76/44/588537644.db2.gz NFZGOZXOHXLRGM-JTQLQIEISA-N 0 1 240.734 2.392 20 0 BEADMN O[C@@H]1C[C@H](NCC2(F)CC2)c2ccccc21 ZINC000850373635 588541488 /nfs/dbraw/zinc/54/14/88/588541488.db2.gz IEGNEULFFKAXLO-NWDGAFQWSA-N 0 1 221.275 2.257 20 0 BEADMN c1cc(N[C@@H]2COC3(CCC3)C2)cc2[nH]nnc12 ZINC000850451539 588547745 /nfs/dbraw/zinc/54/77/45/588547745.db2.gz CEMYAPLBYFNPMZ-JTQLQIEISA-N 0 1 244.298 2.081 20 0 BEADMN c1cc(N[C@@H]2COC3(CCC3)C2)cc2n[nH]nc12 ZINC000850451539 588547747 /nfs/dbraw/zinc/54/77/47/588547747.db2.gz CEMYAPLBYFNPMZ-JTQLQIEISA-N 0 1 244.298 2.081 20 0 BEADMN C[C@@H](CSCCF)N[C@@H]1CCn2ccnc21 ZINC000850471355 588548954 /nfs/dbraw/zinc/54/89/54/588548954.db2.gz PEGLBLBHZHXACT-VHSXEESVSA-N 0 1 243.351 2.009 20 0 BEADMN CC[C@@H](N[C@@H]1C=CCC1)c1nccn1C ZINC000850506455 588553438 /nfs/dbraw/zinc/55/34/38/588553438.db2.gz BIEKWGIYBOSEGV-GHMZBOCLSA-N 0 1 205.305 2.179 20 0 BEADMN CC[C@@H](N[C@@H]1COC2(CCC2)C1)c1nccn1C ZINC000850526817 588557561 /nfs/dbraw/zinc/55/75/61/588557561.db2.gz XBBYSVJOOCBXKG-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](NC[C@]1(C)CC1(F)F)c1ncc[nH]1 ZINC000850536521 588558756 /nfs/dbraw/zinc/55/87/56/588558756.db2.gz KUFCMBJFXDKHSM-CBAPKCEASA-N 0 1 215.247 2.106 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000850560749 588560822 /nfs/dbraw/zinc/56/08/22/588560822.db2.gz GHFXMEJHWRXXFQ-JQWIXIFHSA-N 0 1 237.347 2.266 20 0 BEADMN CC1=CC[C@](C)(C(=O)OCCc2c[nH]nn2)CC1 ZINC000850859970 588570920 /nfs/dbraw/zinc/57/09/20/588570920.db2.gz VTAVVUGKAZSWEY-ZDUSSCGKSA-N 0 1 249.314 2.027 20 0 BEADMN CC1=CC[C@](C)(C(=O)OCCc2cnn[nH]2)CC1 ZINC000850859970 588570922 /nfs/dbraw/zinc/57/09/22/588570922.db2.gz VTAVVUGKAZSWEY-ZDUSSCGKSA-N 0 1 249.314 2.027 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1CCC1(F)F)N(C)C ZINC000851319831 588601370 /nfs/dbraw/zinc/60/13/70/588601370.db2.gz PLFQPUHFFBWAGT-NXEZZACHSA-N 0 1 249.301 2.161 20 0 BEADMN CC1CC(COC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000851463281 588605895 /nfs/dbraw/zinc/60/58/95/588605895.db2.gz QGNYFANUGLRKAS-ILDUYXDCSA-N 0 1 248.326 2.419 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CC(C)C1)N(C)C ZINC000851463925 588606109 /nfs/dbraw/zinc/60/61/09/588606109.db2.gz KVUPBEWNZQYDAE-HTAVTVPLSA-N 0 1 227.348 2.162 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000851632029 588611935 /nfs/dbraw/zinc/61/19/35/588611935.db2.gz JEJAPFYWKHIXBA-NTZNESFSSA-N 0 1 244.354 2.114 20 0 BEADMN CCOC(=O)N1CCN(CCC=C(C)C)CC1 ZINC000851713992 588615748 /nfs/dbraw/zinc/61/57/48/588615748.db2.gz NFKNIDOKTNJKLH-UHFFFAOYSA-N 0 1 240.347 2.117 20 0 BEADMN CN(Cc1ccsc1)C[C@H]1COC(C)(C)O1 ZINC000851716087 588616057 /nfs/dbraw/zinc/61/60/57/588616057.db2.gz HWUSKONTMSRCNH-NSHDSACASA-N 0 1 241.356 2.331 20 0 BEADMN CCC(CC)CN(CC)Cc1cnon1 ZINC000851725832 588617894 /nfs/dbraw/zinc/61/78/94/588617894.db2.gz JAZZCEFUKNEDLO-UHFFFAOYSA-N 0 1 211.309 2.328 20 0 BEADMN c1nonc1CN(C1CC1)C1CCCCC1 ZINC000851727758 588618728 /nfs/dbraw/zinc/61/87/28/588618728.db2.gz WVSZALGNYJODMQ-UHFFFAOYSA-N 0 1 221.304 2.367 20 0 BEADMN CCN(Cc1ccoc1)C[C@@H](O)c1ccccn1 ZINC000851747508 588622406 /nfs/dbraw/zinc/62/24/06/588622406.db2.gz VHJLCPLFVCCEHK-CQSZACIVSA-N 0 1 246.310 2.230 20 0 BEADMN CN(Cc1cnon1)[C@H]1CCc2ccccc2C1 ZINC000851772613 588626042 /nfs/dbraw/zinc/62/60/42/588626042.db2.gz BRUHPRPTZAEOIM-AWEZNQCLSA-N 0 1 243.310 2.059 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2cnon2)CC1 ZINC000851773032 588626110 /nfs/dbraw/zinc/62/61/10/588626110.db2.gz OUHJSBHZNLXBJW-NSHDSACASA-N 0 1 223.320 2.328 20 0 BEADMN CC(C)[C@H]1CCCCN1Cc1cnon1 ZINC000851776503 588626259 /nfs/dbraw/zinc/62/62/59/588626259.db2.gz RXBLOSCHPRCBSJ-LLVKDONJSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cnon1 ZINC000851774573 588626611 /nfs/dbraw/zinc/62/66/11/588626611.db2.gz KSWGEAIOCZAIGO-AAEUAGOBSA-N 0 1 243.310 2.448 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1cnon1 ZINC000851779702 588627234 /nfs/dbraw/zinc/62/72/34/588627234.db2.gz CNDIVZXSSBJZLH-LLVKDONJSA-N 0 1 209.293 2.224 20 0 BEADMN CC1(C)CCCN(Cc2cnon2)CC1 ZINC000851784495 588628504 /nfs/dbraw/zinc/62/85/04/588628504.db2.gz UPOPCUPBCPXHLT-UHFFFAOYSA-N 0 1 209.293 2.082 20 0 BEADMN CC1(C)CCN(Cc2cccc(F)n2)C1 ZINC000851790825 588629432 /nfs/dbraw/zinc/62/94/32/588629432.db2.gz PKBHGCIXKWOWKJ-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1cccc(F)n1 ZINC000851807347 588631877 /nfs/dbraw/zinc/63/18/77/588631877.db2.gz CQHVXBUKXPLHOQ-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN COC(C)(C)CN(C)Cc1cccc(F)n1 ZINC000851807347 588631878 /nfs/dbraw/zinc/63/18/78/588631878.db2.gz CQHVXBUKXPLHOQ-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1cnon1 ZINC000851817650 588632978 /nfs/dbraw/zinc/63/29/78/588632978.db2.gz GYLBWUBTHDTKGN-GFCCVEGCSA-N 0 1 223.320 2.470 20 0 BEADMN C[C@@H](NCc1cnon1)[C@H](C)c1ccccc1 ZINC000851909192 588642459 /nfs/dbraw/zinc/64/24/59/588642459.db2.gz YKQOKZJSMGNGGX-WDEREUQCSA-N 0 1 231.299 2.351 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851999128 588653697 /nfs/dbraw/zinc/65/36/97/588653697.db2.gz YLSRPHBUPOGREE-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cccc(F)n2)C1 ZINC000851999131 588653765 /nfs/dbraw/zinc/65/37/65/588653765.db2.gz YLSRPHBUPOGREE-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CN(Cc1cnon1)C1CCC(F)(F)CC1 ZINC000852052247 588657789 /nfs/dbraw/zinc/65/77/89/588657789.db2.gz OSFNXNDAFREJQY-UHFFFAOYSA-N 0 1 231.246 2.079 20 0 BEADMN CN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC(C)(C)OC1=O ZINC000852078578 588660090 /nfs/dbraw/zinc/66/00/90/588660090.db2.gz DXBVLYPUXQJHSA-USZNOCQGSA-N 0 1 237.343 2.058 20 0 BEADMN C[C@H](NCc1cnon1)[C@@H]1CCC[C@@H](C)C1 ZINC000852150532 588667693 /nfs/dbraw/zinc/66/76/93/588667693.db2.gz ZHBDIVDLVQVBCJ-OUAUKWLOSA-N 0 1 223.320 2.374 20 0 BEADMN CCN(Cc1occc1C)C[C@H]1CCC(=O)O1 ZINC000852176015 588669484 /nfs/dbraw/zinc/66/94/84/588669484.db2.gz PUXPPODHBDCCKX-LLVKDONJSA-N 0 1 237.299 2.116 20 0 BEADMN O=C1O[C@@H](C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC12CCC2 ZINC000852219336 588673631 /nfs/dbraw/zinc/67/36/31/588673631.db2.gz MTROKMGJOBFCBB-XQQFMLRXSA-N 0 1 249.354 2.347 20 0 BEADMN COCCN(CCF)CCc1ccc(C)cc1 ZINC000852481975 588684590 /nfs/dbraw/zinc/68/45/90/588684590.db2.gz AOXBKRDBUBLGIZ-UHFFFAOYSA-N 0 1 239.334 2.455 20 0 BEADMN COC(=O)[C@@H]1CCN(CCF)[C@H]2CCCC[C@@H]12 ZINC000852496248 588685868 /nfs/dbraw/zinc/68/58/68/588685868.db2.gz NGZLVCPLXHVPJW-TUAOUCFPSA-N 0 1 243.322 2.010 20 0 BEADMN OC[C@@H]1CN(CCF)CC[C@@H]1c1ccccc1 ZINC000852520887 588687930 /nfs/dbraw/zinc/68/79/30/588687930.db2.gz QACSWZFZLSEWQY-UONOGXRCSA-N 0 1 237.318 2.054 20 0 BEADMN CCC(=O)CCN1CCc2cc(OC)ccc2C1 ZINC000852551616 588689100 /nfs/dbraw/zinc/68/91/00/588689100.db2.gz QLYIPAUHDABBAE-UHFFFAOYSA-N 0 1 247.338 2.423 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000852559741 588690503 /nfs/dbraw/zinc/69/05/03/588690503.db2.gz SIJDIAHBSRYLPM-IAQYHMDHSA-N 0 1 247.338 2.062 20 0 BEADMN O=C1CCCC12CCN(CCOC(F)F)CC2 ZINC000852631558 588693178 /nfs/dbraw/zinc/69/31/78/588693178.db2.gz WDJKONBZHOHDFY-UHFFFAOYSA-N 0 1 247.285 2.061 20 0 BEADMN ClC(Cl)=CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664076 588694328 /nfs/dbraw/zinc/69/43/28/588694328.db2.gz BTNSPLNXSQNGAG-BDAKNGLRSA-N 0 1 236.142 2.274 20 0 BEADMN CCC(CC)CCCN(C)[C@H]1CCOC1=O ZINC000852671697 588694748 /nfs/dbraw/zinc/69/47/48/588694748.db2.gz XPJGGLUSWUPVSR-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)C12CC(C1)C2 ZINC000860866106 589125039 /nfs/dbraw/zinc/12/50/39/589125039.db2.gz WKDHVZWVXAKVMX-UHFFFAOYSA-N 0 1 232.283 2.130 20 0 BEADMN CCC[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000117862888 589136254 /nfs/dbraw/zinc/13/62/54/589136254.db2.gz MGNXKDPRLFKTFT-UHFFFAOYSA-N 0 1 230.315 2.244 20 0 BEADMN CCCN(C)Cn1cnc(-c2ccccc2)n1 ZINC000117862888 589136256 /nfs/dbraw/zinc/13/62/56/589136256.db2.gz MGNXKDPRLFKTFT-UHFFFAOYSA-N 0 1 230.315 2.244 20 0 BEADMN Cc1ccc(C)c(C(=O)OCCN2CCC2)c1 ZINC000861385137 589162196 /nfs/dbraw/zinc/16/21/96/589162196.db2.gz NCYAJPSZDGHQLS-UHFFFAOYSA-N 0 1 233.311 2.166 20 0 BEADMN C[C@H]1CCC[C@@H](C(=O)OCCN2CCC2)C1 ZINC000861388448 589162329 /nfs/dbraw/zinc/16/23/29/589162329.db2.gz VBRSSJOFQFMYPD-NWDGAFQWSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H]1CC[C@@H](CC(=O)OCCN2CCC2)C1 ZINC000861388618 589162451 /nfs/dbraw/zinc/16/24/51/589162451.db2.gz VTENPVYZZQOFIX-NWDGAFQWSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)OCCN1CCC1 ZINC000861386953 589162682 /nfs/dbraw/zinc/16/26/82/589162682.db2.gz SDUHVAOOWGXSJP-CHWSQXEVSA-N 0 1 239.359 2.452 20 0 BEADMN CC1(C)CCC(C(=O)OCCN2CCC2)CC1 ZINC000861387419 589162718 /nfs/dbraw/zinc/16/27/18/589162718.db2.gz DSUDVSNJKRGUJG-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN Cc1ccc(C(=O)OCCN2CCC2)c(C)c1 ZINC000861385836 589162731 /nfs/dbraw/zinc/16/27/31/589162731.db2.gz ZDYJONUEOKSZFK-UHFFFAOYSA-N 0 1 233.311 2.166 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)OCCN1CCC1 ZINC000861387458 589162786 /nfs/dbraw/zinc/16/27/86/589162786.db2.gz JBAOXEGQGLJVAR-LBPRGKRZSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@H]1C[C@H](C(=O)OCCN2CCC2)C[C@@H](C)C1 ZINC000861389042 589163048 /nfs/dbraw/zinc/16/30/48/589163048.db2.gz WEQUGQBYFGTZQY-ITGUQSILSA-N 0 1 239.359 2.308 20 0 BEADMN CCC[C@@H](C(=O)OCCN1CCC1)C(C)C ZINC000861387900 589163139 /nfs/dbraw/zinc/16/31/39/589163139.db2.gz DGBYYILDPYQPDO-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)OCCN1CCC1 ZINC000861388530 589163169 /nfs/dbraw/zinc/16/31/69/589163169.db2.gz LIUBILQPEMFWJI-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)c1[nH]ccc1C(=O)OCCN1CCC1 ZINC000861390074 589163789 /nfs/dbraw/zinc/16/37/89/589163789.db2.gz ILJWHAXTMFFWKT-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1C[C@@H]1C1CCCC1 ZINC000861389930 589163791 /nfs/dbraw/zinc/16/37/91/589163791.db2.gz CPRJVEVZEMGKOT-OLZOCXBDSA-N 0 1 237.343 2.062 20 0 BEADMN CC[C@H](CC(C)C)C(=O)OCCN1CCC1 ZINC000861390211 589163835 /nfs/dbraw/zinc/16/38/35/589163835.db2.gz CBSWEOJGVSSEMH-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)OCCN2CCC2)C[C@H]1C ZINC000861390776 589164094 /nfs/dbraw/zinc/16/40/94/589164094.db2.gz LNQFIUXXTFGJKT-JHJVBQTASA-N 0 1 239.359 2.308 20 0 BEADMN CC(C)CCCCC(=O)OCCN1CCC1 ZINC000861390765 589164439 /nfs/dbraw/zinc/16/44/39/589164439.db2.gz LDYBCNXJUPRXQC-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN COc1ccc2c(c1)CC[C@@H]2C(=O)NOC(C)C ZINC000861881431 589181604 /nfs/dbraw/zinc/18/16/04/589181604.db2.gz VXLTXFXERYPSMR-ZDUSSCGKSA-N 0 1 249.310 2.181 20 0 BEADMN CCOC(=O)C1=CC[C@@H](NCc2ccc(C)o2)C1 ZINC000862487082 589217455 /nfs/dbraw/zinc/21/74/55/589217455.db2.gz LNEQUGONNKBSLZ-GFCCVEGCSA-N 0 1 249.310 2.330 20 0 BEADMN C/C=C/CNCc1ccc(/C=C\C(=O)OC)o1 ZINC000862531515 589218167 /nfs/dbraw/zinc/21/81/67/589218167.db2.gz ZXQGIURUCWXOON-UTUPVWNLSA-N 0 1 235.283 2.132 20 0 BEADMN C/C(=C\C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(=O)[O-] ZINC000863471603 589291340 /nfs/dbraw/zinc/29/13/40/589291340.db2.gz WHIPVEMVHDUPAK-HDXDTZNISA-N 0 1 247.285 2.240 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000863476027 589291774 /nfs/dbraw/zinc/29/17/74/589291774.db2.gz SRTKDCHBOZMUDL-WOKGGCALSA-N 0 1 243.734 2.314 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CCN1c1cc[nH+]cc1Cl ZINC000863479812 589292786 /nfs/dbraw/zinc/29/27/86/589292786.db2.gz ZSHKMECKRHRCRL-SFYZADRCSA-N 0 1 240.690 2.034 20 0 BEADMN Cc1cc(O)cc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000863619680 589305060 /nfs/dbraw/zinc/30/50/60/589305060.db2.gz JOBNHCYRNRYMHV-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCN[C@H](C)c1nc(-c2c(C)noc2C)no1 ZINC000863676626 589309803 /nfs/dbraw/zinc/30/98/03/589309803.db2.gz BLNVCTOLTRAMCC-SSDOTTSWSA-N 0 1 236.275 2.012 20 0 BEADMN CCCn1cc(-c2nc3ccc(F)cc3[nH]2)nn1 ZINC000864351049 589354984 /nfs/dbraw/zinc/35/49/84/589354984.db2.gz DDQDVSQWEXYIIL-UHFFFAOYSA-N 0 1 245.261 2.371 20 0 BEADMN CONC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000864749078 589392584 /nfs/dbraw/zinc/39/25/84/589392584.db2.gz UZTZFSNDFQGNAA-CYBMUJFWSA-N 0 1 248.326 2.423 20 0 BEADMN CCN(C(=O)c1n[nH]cc1C(F)(F)F)C(C)C ZINC000864952676 589401981 /nfs/dbraw/zinc/40/19/81/589401981.db2.gz VQXBYWHDYANOIC-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN CC1(C)CC[C@@H](CSc2cn[nH]n2)OC1 ZINC000865359616 589425271 /nfs/dbraw/zinc/42/52/71/589425271.db2.gz RSBPUFQQMWIUGW-QMMMGPOBSA-N 0 1 227.333 2.102 20 0 BEADMN CCc1csc(SCc2c[nH]nn2)n1 ZINC000865386118 589430037 /nfs/dbraw/zinc/43/00/37/589430037.db2.gz ARVZNHDUFPEKAK-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CC(C)(O)CNCc1c(Cl)cncc1Cl ZINC000865456820 589437185 /nfs/dbraw/zinc/43/71/85/589437185.db2.gz AJTKVYOZRFDONS-UHFFFAOYSA-N 0 1 249.141 2.249 20 0 BEADMN C[C@@H](O)CCNCc1c(Cl)cncc1Cl ZINC000865463593 589438097 /nfs/dbraw/zinc/43/80/97/589438097.db2.gz AZWJXANCQSVEAW-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN CCC[C@@H](O)CNc1ccncc1C(F)(F)F ZINC000865535980 589444241 /nfs/dbraw/zinc/44/42/41/589444241.db2.gz QYHNFGQMPSSMHK-MRVPVSSYSA-N 0 1 248.248 2.095 20 0 BEADMN CC1(C)SC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865559400 589446348 /nfs/dbraw/zinc/44/63/48/589446348.db2.gz ZZNAKOSYYIZOHG-LLVKDONJSA-N 0 1 237.372 2.202 20 0 BEADMN CC(C)(C)c1csc(CN[C@@H]2CC[C@H]2O)n1 ZINC000865609943 589450912 /nfs/dbraw/zinc/45/09/12/589450912.db2.gz WUKLPHPTIGCWHV-RKDXNWHRSA-N 0 1 240.372 2.054 20 0 BEADMN C[C@@]1(CNCc2cn(C3CC3)cn2)CC1(F)F ZINC000865628068 589452605 /nfs/dbraw/zinc/45/26/05/589452605.db2.gz PICDUGREULSXBH-NSHDSACASA-N 0 1 241.285 2.353 20 0 BEADMN CCn1ncc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)n1 ZINC000865704213 589457526 /nfs/dbraw/zinc/45/75/26/589457526.db2.gz PZECLCKADXGZEJ-MBNYWOFBSA-N 0 1 248.374 2.356 20 0 BEADMN O[C@@H](CCNCc1cscn1)C1CCCC1 ZINC000865874452 589466583 /nfs/dbraw/zinc/46/65/83/589466583.db2.gz DAYGVKRONVCFKB-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN Cc1[nH]ncc1CN(C)c1nc(Cl)cs1 ZINC000865901593 589468076 /nfs/dbraw/zinc/46/80/76/589468076.db2.gz YPMOKIMDNWKHCM-UHFFFAOYSA-N 0 1 242.735 2.464 20 0 BEADMN CC1(C)CCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000866004045 589472309 /nfs/dbraw/zinc/47/23/09/589472309.db2.gz RRIIUSHPUOOBBM-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN COCCCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866214579 589481310 /nfs/dbraw/zinc/48/13/10/589481310.db2.gz QAALTJFXRLRGIB-DGCLKSJQSA-N 0 1 239.290 2.084 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(=O)[nH]n1 ZINC000866452001 589494346 /nfs/dbraw/zinc/49/43/46/589494346.db2.gz SKVHLGCIDXAQJQ-ATZCPNFKSA-N 0 1 239.294 2.114 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000866498862 589497608 /nfs/dbraw/zinc/49/76/08/589497608.db2.gz BRNFAGXPZOHMRX-NQMVMOMDSA-N 0 1 245.248 2.328 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)n(C)n1 ZINC000866500948 589497808 /nfs/dbraw/zinc/49/78/08/589497808.db2.gz WCSWSSVYRRKCSU-DJLDLDEBSA-N 0 1 247.264 2.330 20 0 BEADMN C[C@@H](CCO)N[C@H](CF)c1ccc(F)cc1 ZINC000866597095 589502748 /nfs/dbraw/zinc/50/27/48/589502748.db2.gz XYZBGLITBOUVFP-JOYOIKCWSA-N 0 1 229.270 2.197 20 0 BEADMN CC[C@H](C[C@H](C)O)N[C@@H](C)c1cc(C)on1 ZINC000866634277 589506114 /nfs/dbraw/zinc/50/61/14/589506114.db2.gz PMOXPWXFYVWCST-INTQDDNPSA-N 0 1 226.320 2.183 20 0 BEADMN C[C@H](NCC[C@H](O)C1CCCC1)c1ncc[nH]1 ZINC000866637478 589506597 /nfs/dbraw/zinc/50/65/97/589506597.db2.gz HBQURDDGNYEPPA-JQWIXIFHSA-N 0 1 237.347 2.002 20 0 BEADMN Nc1ccc2c(c1)OCC[N@H+](CC1CCC1)C2 ZINC000866688833 589512175 /nfs/dbraw/zinc/51/21/75/589512175.db2.gz AENCIKJSQBKANY-UHFFFAOYSA-N 0 1 232.327 2.263 20 0 BEADMN Clc1ncc(CSc2cn[nH]n2)s1 ZINC000121796186 589532732 /nfs/dbraw/zinc/53/27/32/589532732.db2.gz NXNORQNGYOXSHV-UHFFFAOYSA-N 0 1 232.721 2.207 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC3(CCC3)C2)C1 ZINC000121835736 589534419 /nfs/dbraw/zinc/53/44/19/589534419.db2.gz PZPHRJYJKUNWNL-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN CC(C)N(Cc1ccccc1)CC1OCCO1 ZINC000122162963 589559927 /nfs/dbraw/zinc/55/99/27/589559927.db2.gz GICBAKWOVIPGGB-UHFFFAOYSA-N 0 1 235.327 2.270 20 0 BEADMN CC(C)ONC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000868658692 589571066 /nfs/dbraw/zinc/57/10/66/589571066.db2.gz FENFTEKBMPAWIL-SNVBAGLBSA-N 0 1 229.320 2.038 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccncc2CC)no1 ZINC000122276543 589574288 /nfs/dbraw/zinc/57/42/88/589574288.db2.gz NNBYEIXRUXNBGA-SECBINFHSA-N 0 1 246.314 2.365 20 0 BEADMN C[C@@H](CCO)N[C@@H](C)c1c(F)cccc1F ZINC000122867953 589640403 /nfs/dbraw/zinc/64/04/03/589640403.db2.gz ZWXNNTRMGNGJSM-IUCAKERBSA-N 0 1 229.270 2.386 20 0 BEADMN Cc1ccoc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000123358475 589691172 /nfs/dbraw/zinc/69/11/72/589691172.db2.gz NJVVHKVRMUJRSC-JTQLQIEISA-N 0 1 223.272 2.027 20 0 BEADMN CC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871597036 589771533 /nfs/dbraw/zinc/77/15/33/589771533.db2.gz JXYXKYRLLYOXLN-LLVKDONJSA-N 0 1 235.331 2.259 20 0 BEADMN CCC(N)=NOCc1ccc(C)c(Cl)n1 ZINC000871729003 589799525 /nfs/dbraw/zinc/79/95/25/589799525.db2.gz XWQQTBUXAMZRFX-UHFFFAOYSA-N 0 1 227.695 2.452 20 0 BEADMN Cc1cc(CN)oc1-c1nc(CC(C)C)no1 ZINC000871782499 589817122 /nfs/dbraw/zinc/81/71/22/589817122.db2.gz QYIHUGSRRRLEAK-UHFFFAOYSA-N 0 1 235.287 2.295 20 0 BEADMN CC1(C)CCc2c([nH]n(CC3CC3)c2=O)C1 ZINC000871942325 589835658 /nfs/dbraw/zinc/83/56/58/589835658.db2.gz GONPQAOYBJJCQD-JTQLQIEISA-N 0 1 220.316 2.421 20 0 BEADMN CC1(C)CC[C@@H]2C(=O)N(c3cnccn3)N=C2C1 ZINC000871943227 589836642 /nfs/dbraw/zinc/83/66/42/589836642.db2.gz CMYPCHNKMKXVFC-VIFPVBQESA-N 0 1 244.298 2.006 20 0 BEADMN CC(C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948003 589838874 /nfs/dbraw/zinc/83/88/74/589838874.db2.gz NYGQFVMQOPSHQO-SECBINFHSA-N 0 1 208.305 2.419 20 0 BEADMN C[C@H]1CCC2=NN(c3ccnc(F)c3)C(=O)[C@@H]2C1 ZINC000871953164 589841046 /nfs/dbraw/zinc/84/10/46/589841046.db2.gz DQQNIURSQGYXSH-WCBMZHEXSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccnc(F)c3)c(=O)c2C1 ZINC000871953164 589841047 /nfs/dbraw/zinc/84/10/47/589841047.db2.gz DQQNIURSQGYXSH-WCBMZHEXSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3cccnc3Cl)[nH]c21 ZINC000871952780 589841417 /nfs/dbraw/zinc/84/14/17/589841417.db2.gz OTAZSXGIBIDWGZ-HTQZYQBOSA-N 0 1 249.701 2.484 20 0 BEADMN CC1(c2cc(=O)n(-c3ccnc(F)c3)[nH]2)CC1 ZINC000871953244 589841431 /nfs/dbraw/zinc/84/14/31/589841431.db2.gz HJFKWSQURISHMW-UHFFFAOYSA-N 0 1 233.246 2.114 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1ccnc(F)c1 ZINC000871953479 589841723 /nfs/dbraw/zinc/84/17/23/589841723.db2.gz RLUHWZFOFIOBCG-UHFFFAOYSA-N 0 1 233.246 2.114 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc(Cl)nc2)c1=O ZINC000871954042 589842875 /nfs/dbraw/zinc/84/28/75/589842875.db2.gz JKEVBFGCJKOXGN-VIFPVBQESA-N 0 1 237.690 2.484 20 0 BEADMN Cc1[nH]n(C[C@@H]2CCCC2(F)F)c(=O)c1C ZINC000871962621 589847061 /nfs/dbraw/zinc/84/70/61/589847061.db2.gz GPRNZQWRFROFJQ-APPZFPTMSA-N 0 1 230.258 2.276 20 0 BEADMN Cc1cc(=O)n([C@@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000871964286 589847353 /nfs/dbraw/zinc/84/73/53/589847353.db2.gz OYWIBSDCDCAIEZ-LLVKDONJSA-N 0 1 236.315 2.086 20 0 BEADMN O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCC2 ZINC000871963473 589847451 /nfs/dbraw/zinc/84/74/51/589847451.db2.gz PCFWUZGZBKZFDA-BDAKNGLRSA-N 0 1 242.269 2.420 20 0 BEADMN O=c1c2c([nH]n1C[C@H]1CCCC1(F)F)CCC2 ZINC000871963473 589847452 /nfs/dbraw/zinc/84/74/52/589847452.db2.gz PCFWUZGZBKZFDA-BDAKNGLRSA-N 0 1 242.269 2.420 20 0 BEADMN CCC[C@@H](O)CN[C@H](C)c1cc(O)ccc1F ZINC000872036485 589858540 /nfs/dbraw/zinc/85/85/40/589858540.db2.gz SNQIBYVLFSAQJZ-MWLCHTKSSA-N 0 1 241.306 2.343 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1cccc(O)c1F ZINC000872063914 589862636 /nfs/dbraw/zinc/86/26/36/589862636.db2.gz AGDCVUZTEHUDRK-BDAKNGLRSA-N 0 1 227.279 2.217 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1cc(O)ccc1F ZINC000872064987 589863326 /nfs/dbraw/zinc/86/33/26/589863326.db2.gz QMKWOICQYJKKHY-RKDXNWHRSA-N 0 1 227.279 2.217 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1cc(O)ccc1F ZINC000872064986 589863410 /nfs/dbraw/zinc/86/34/10/589863410.db2.gz QMKWOICQYJKKHY-IUCAKERBSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(O)ccc1F ZINC000872082184 589866163 /nfs/dbraw/zinc/86/61/63/589866163.db2.gz REYMXEOYBOGZBO-UTLUCORTSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cc(O)ccc1F ZINC000872082181 589866279 /nfs/dbraw/zinc/86/62/79/589866279.db2.gz REYMXEOYBOGZBO-BBBLOLIVSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@H](NCCOCCF)c1cccc(O)c1F ZINC000872089256 589867705 /nfs/dbraw/zinc/86/77/05/589867705.db2.gz VVSDYGHEHPONPQ-VIFPVBQESA-N 0 1 245.269 2.168 20 0 BEADMN CC(C)OC1(CN[C@@H]2CCn3ccnc32)CCC1 ZINC000872116802 589875704 /nfs/dbraw/zinc/87/57/04/589875704.db2.gz VEHROYRMDQLXNX-GFCCVEGCSA-N 0 1 249.358 2.265 20 0 BEADMN O[C@H](CN[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000872236678 589898258 /nfs/dbraw/zinc/89/82/58/589898258.db2.gz SNTUCNZZXQEGJX-CHWSQXEVSA-N 0 1 241.281 2.197 20 0 BEADMN O[C@H](CN[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000872236680 589898400 /nfs/dbraw/zinc/89/84/00/589898400.db2.gz SNTUCNZZXQEGJX-QWHCGFSZSA-N 0 1 241.281 2.197 20 0 BEADMN CN1CCN(C/C=C/Cl)Cc2cccnc21 ZINC000872317448 589910547 /nfs/dbraw/zinc/91/05/47/589910547.db2.gz SGUPGAWUOWWSJR-HWKANZROSA-N 0 1 237.734 2.086 20 0 BEADMN CC(C)CN(C)CN1CCC2(CCCC2)C1=O ZINC000872571740 589952618 /nfs/dbraw/zinc/95/26/18/589952618.db2.gz VRXMQPOSFZVLPV-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@H](C)CN(C)CN1CCC2(CCC2)C1=O ZINC000872577969 589953792 /nfs/dbraw/zinc/95/37/92/589953792.db2.gz WAEBYSGWYAQOMR-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CCOc1cccc(F)c1CN[C@@H](C)CCO ZINC000873057133 589981209 /nfs/dbraw/zinc/98/12/09/589981209.db2.gz NRGFHRGWWQFFDN-JTQLQIEISA-N 0 1 241.306 2.085 20 0 BEADMN CCOc1cccc(F)c1CN[C@H]1CCOC1 ZINC000873094855 589984052 /nfs/dbraw/zinc/98/40/52/589984052.db2.gz PUDNTPSZCLDZBI-JTQLQIEISA-N 0 1 239.290 2.103 20 0 BEADMN C[C@](O)(CNCc1ccon1)C1CCCCC1 ZINC000873114030 589984725 /nfs/dbraw/zinc/98/47/25/589984725.db2.gz RYGKAOILNRZWJO-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN CCn1nc(C)c(CNCCC[C@H]2C=CCC2)n1 ZINC000873153854 589987668 /nfs/dbraw/zinc/98/76/68/589987668.db2.gz JMZKKPYQTDJQGY-ZDUSSCGKSA-N 0 1 248.374 2.442 20 0 BEADMN CCn1ncc(CNCCC[C@@H]2C=CCC2)n1 ZINC000873153673 589987673 /nfs/dbraw/zinc/98/76/73/589987673.db2.gz CXCYNLBZLVHKAJ-GFCCVEGCSA-N 0 1 234.347 2.134 20 0 BEADMN Cn1cnc(CNc2ccc3c(n2)CCCC3)c1 ZINC000873189039 589991420 /nfs/dbraw/zinc/99/14/20/589991420.db2.gz MQKMTUWPWZDDMT-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN Cc1ccc2[nH]ncc2c1C(=O)OCC(F)F ZINC000873488775 590050058 /nfs/dbraw/zinc/05/00/58/590050058.db2.gz VRIJEZWQFWLHRF-UHFFFAOYSA-N 0 1 240.209 2.293 20 0 BEADMN CCC[C@H](CC)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000873547810 590056266 /nfs/dbraw/zinc/05/62/66/590056266.db2.gz JDQUIPZPXFHMKN-IUCAKERBSA-N 0 1 225.292 2.235 20 0 BEADMN CCC[C@@H](CC)C(=O)OCCN1CCC1 ZINC000873550927 590056878 /nfs/dbraw/zinc/05/68/78/590056878.db2.gz GOGUXXWATYQLIG-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN O=C(CN1CCCC1)NCCCC1CCCC1 ZINC000873953703 590080269 /nfs/dbraw/zinc/08/02/69/590080269.db2.gz VVTZUZZHOUKHEO-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000874051585 590087934 /nfs/dbraw/zinc/08/79/34/590087934.db2.gz UWYNZRLWOWPGHZ-MRVPVSSYSA-N 0 1 243.690 2.230 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@@H](C)N(C)C)cc1C ZINC000874105979 590091437 /nfs/dbraw/zinc/09/14/37/590091437.db2.gz UGTDNQNGZBYNEG-GFCCVEGCSA-N 0 1 234.343 2.216 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000874463928 590113201 /nfs/dbraw/zinc/11/32/01/590113201.db2.gz ODPWEGFQHAWRQX-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN O=C(NOc1ccccc1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000874911082 590154396 /nfs/dbraw/zinc/15/43/96/590154396.db2.gz FMMZWCPCZPOVDZ-GDGBQDQQSA-N 0 1 235.258 2.282 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CCNC[C@@H]1C ZINC000125607310 590173417 /nfs/dbraw/zinc/17/34/17/590173417.db2.gz NRRYEYWIIMSWLD-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000876530045 590209520 /nfs/dbraw/zinc/20/95/20/590209520.db2.gz JJXJPWRKLUWFBM-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@@H](CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000876530044 590209671 /nfs/dbraw/zinc/20/96/71/590209671.db2.gz JJXJPWRKLUWFBM-GRYCIOLGSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC(=O)c1cc(CN(CC)C(C)C)on1 ZINC000876560196 590215513 /nfs/dbraw/zinc/21/55/13/590215513.db2.gz FLZCZEKEIIMPNZ-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN CCCn1cc(CN(C)[C@@H](C)C(C)C)nn1 ZINC000876573804 590217744 /nfs/dbraw/zinc/21/77/44/590217744.db2.gz CPGFUDSGPHKWRM-NSHDSACASA-N 0 1 224.352 2.164 20 0 BEADMN CCOC(=O)CN(C[C@](C)(CC)OC)C(C)C ZINC000876624568 590223225 /nfs/dbraw/zinc/22/32/25/590223225.db2.gz GKPHDFPPDUTSLY-ZDUSSCGKSA-N 0 1 245.363 2.075 20 0 BEADMN CSC(C)(C)CCN(C)Cc1cc[nH]n1 ZINC000876721626 590233422 /nfs/dbraw/zinc/23/34/22/590233422.db2.gz KMYCHDGXXGNVCT-UHFFFAOYSA-N 0 1 227.377 2.373 20 0 BEADMN CN(Cc1cc[nH]n1)CC1(C)CCCC1 ZINC000876722401 590233471 /nfs/dbraw/zinc/23/34/71/590233471.db2.gz UBOREOQIIPMEFK-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CCCn1cc(CN2CCC3(CCCC3)C2)nn1 ZINC000876724699 590233570 /nfs/dbraw/zinc/23/35/70/590233570.db2.gz GENCHCFQPBZFQH-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN COC(=O)c1cc(CN2CCC2(C)C)[nH]c1C ZINC000876743619 590235883 /nfs/dbraw/zinc/23/58/83/590235883.db2.gz KAEORMMNBGBPRB-UHFFFAOYSA-N 0 1 236.315 2.094 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(C)cc2F)C1 ZINC000876751374 590237883 /nfs/dbraw/zinc/23/78/83/590237883.db2.gz XLXNVXWNLMCLAD-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN CCCn1cc(CN2CC[C@@](C)(CC)C2)nn1 ZINC000876781082 590240218 /nfs/dbraw/zinc/24/02/18/590240218.db2.gz JEETUEJGQKRUGD-CYBMUJFWSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN(C)[C@H](C)C2(C)CC2)nn1 ZINC000876806398 590242552 /nfs/dbraw/zinc/24/25/52/590242552.db2.gz PFNMYZRYRAWUDO-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)/C=C\C(C)(C)C ZINC000876999017 590267267 /nfs/dbraw/zinc/26/72/67/590267267.db2.gz QGWNJARAIYDJQG-DGMVEKRQSA-N 0 1 238.375 2.045 20 0 BEADMN CC[C@H](COC)NCc1nc(Cl)cs1 ZINC000877057274 590275587 /nfs/dbraw/zinc/27/55/87/590275587.db2.gz YYBGGBCDWMAZQX-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN OCC[C@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877059235 590276113 /nfs/dbraw/zinc/27/61/13/590276113.db2.gz SOYNDNGBMAOQHM-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN FC(F)(F)CCNCc1ccc(Cl)nn1 ZINC000877066951 590276785 /nfs/dbraw/zinc/27/67/85/590276785.db2.gz BGORINTZIPBJSP-UHFFFAOYSA-N 0 1 239.628 2.172 20 0 BEADMN c1c(CNCCOC2CCC2)onc1C1CC1 ZINC000877071762 590277527 /nfs/dbraw/zinc/27/75/27/590277527.db2.gz TUGGULHGHPHLOL-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1cc(CNC[C@@H]2CC2(Cl)Cl)ncn1 ZINC000877124102 590289529 /nfs/dbraw/zinc/28/95/29/590289529.db2.gz HQPXONVWEUXGKG-QMMMGPOBSA-N 0 1 246.141 2.068 20 0 BEADMN CC[C@](C)(CO)NCc1nc(Cl)cs1 ZINC000877142993 590291704 /nfs/dbraw/zinc/29/17/04/590291704.db2.gz CFVDPWHYNFYUAV-SECBINFHSA-N 0 1 234.752 2.047 20 0 BEADMN NCc1cc(C(=O)NCCC[C@H]2C=CCC2)co1 ZINC000877309195 590311785 /nfs/dbraw/zinc/31/17/85/590311785.db2.gz IXAKKLJMMROOSW-NSHDSACASA-N 0 1 248.326 2.215 20 0 BEADMN NCc1ccc(C(=O)NCCC[C@@H]2C=CCC2)o1 ZINC000877309779 590312613 /nfs/dbraw/zinc/31/26/13/590312613.db2.gz SLJGMYCYKXRNOM-LLVKDONJSA-N 0 1 248.326 2.215 20 0 BEADMN CCC[C@@H](CN1CCC[C@@H]1c1ncc[nH]1)OC ZINC000877344726 590318993 /nfs/dbraw/zinc/31/89/93/590318993.db2.gz MYAHPWYABSYRBU-NWDGAFQWSA-N 0 1 237.347 2.362 20 0 BEADMN CCOC1CC(NCc2cc(C3CC3)no2)C1 ZINC000877461488 590331169 /nfs/dbraw/zinc/33/11/69/590331169.db2.gz BACYRHUSWLTQCO-UHFFFAOYSA-N 0 1 236.315 2.209 20 0 BEADMN c1c(CNC[C@H]2CCC=CO2)onc1C1CC1 ZINC000877460172 590331833 /nfs/dbraw/zinc/33/18/33/590331833.db2.gz RBGOEUKVKHYNFG-LLVKDONJSA-N 0 1 234.299 2.334 20 0 BEADMN CCCn1cc(CN2[C@H](C)CC[C@@H]2CC)nn1 ZINC000877530999 590349254 /nfs/dbraw/zinc/34/92/54/590349254.db2.gz HJLNMSIHIPMULC-YPMHNXCESA-N 0 1 236.363 2.451 20 0 BEADMN CCC[C@@H](CNCc1ccc(Cl)nn1)OC ZINC000877556304 590357371 /nfs/dbraw/zinc/35/73/71/590357371.db2.gz OVZAAXBDLZWUKB-JTQLQIEISA-N 0 1 243.738 2.035 20 0 BEADMN ClC1(Cl)C[C@@H]1CN[C@@H]1CCn2ccnc21 ZINC000877557784 590358938 /nfs/dbraw/zinc/35/89/38/590358938.db2.gz XKTSUEZEHBTGCN-HTQZYQBOSA-N 0 1 246.141 2.111 20 0 BEADMN CC/C=C/CNCc1cc(OC)cnc1F ZINC000877563964 590359621 /nfs/dbraw/zinc/35/96/21/590359621.db2.gz SIGHMDCDKBBDIW-SNAWJCMRSA-N 0 1 224.279 2.285 20 0 BEADMN CCc1nc(CNC[C@@](C)(OC)C2CC2)co1 ZINC000877570881 590361577 /nfs/dbraw/zinc/36/15/77/590361577.db2.gz PDAZCJUAHBBSSM-CYBMUJFWSA-N 0 1 238.331 2.142 20 0 BEADMN c1cc(CNC2CSC2)n(-c2ccccc2)n1 ZINC000877634125 590379155 /nfs/dbraw/zinc/37/91/55/590379155.db2.gz FBTFGUWFKXHCPX-UHFFFAOYSA-N 0 1 245.351 2.077 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccc(C)nc2)C1 ZINC000877685736 590391941 /nfs/dbraw/zinc/39/19/41/590391941.db2.gz GJWOQJIFXRVQKL-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CCSCCNCc1nn(C)cc1C(F)F ZINC000877734176 590403805 /nfs/dbraw/zinc/40/38/05/590403805.db2.gz LDBLNEOXVQXUPC-UHFFFAOYSA-N 0 1 249.330 2.200 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3CSC[C@H]3C2)o1 ZINC000877738511 590406137 /nfs/dbraw/zinc/40/61/37/590406137.db2.gz OFPRXHSRZFFZDA-GHMZBOCLSA-N 0 1 238.356 2.168 20 0 BEADMN Cc1ncc(CNCC[C@@H](O)C2CCCC2)o1 ZINC000877778219 590422377 /nfs/dbraw/zinc/42/23/77/590422377.db2.gz KJTMFVANZHGMAK-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1csc([C@@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000877813323 590427498 /nfs/dbraw/zinc/42/74/98/590427498.db2.gz LAKLMFUEPBORDJ-SNVBAGLBSA-N 0 1 248.355 2.164 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOC(C)(C)C2)OC1 ZINC000877897380 590441990 /nfs/dbraw/zinc/44/19/90/590441990.db2.gz IWWJOEWCWPRMTG-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000877899274 590442480 /nfs/dbraw/zinc/44/24/80/590442480.db2.gz ZSFGFYGVEVMDIK-RYUDHWBXSA-N 0 1 241.375 2.301 20 0 BEADMN CCCC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000877901455 590443874 /nfs/dbraw/zinc/44/38/74/590443874.db2.gz ZQZVGRQHLAHUPY-UHFFFAOYSA-N 0 1 235.331 2.060 20 0 BEADMN CCCCN(C)CC(=O)Nc1ncccc1C ZINC000877901455 590443875 /nfs/dbraw/zinc/44/38/75/590443875.db2.gz ZQZVGRQHLAHUPY-UHFFFAOYSA-N 0 1 235.331 2.060 20 0 BEADMN CCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877910201 590445913 /nfs/dbraw/zinc/44/59/13/590445913.db2.gz MPZICBYVEJKTQQ-GXFFZTMASA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)[C@H](C)CO1 ZINC000877920382 590447462 /nfs/dbraw/zinc/44/74/62/590447462.db2.gz KYXSBZAYIKPIFF-JHJVBQTASA-N 0 1 239.359 2.197 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)[C@@H](C)CO1 ZINC000877920273 590447910 /nfs/dbraw/zinc/44/79/10/590447910.db2.gz IKDMBNFVVSPIJN-YNEHKIRRSA-N 0 1 241.375 2.443 20 0 BEADMN CC(C)[C@@H](O)CCN1CCn2cccc2[C@@H]1C ZINC000877923434 590448073 /nfs/dbraw/zinc/44/80/73/590448073.db2.gz PETOYRFQEXYZQA-JSGCOSHPSA-N 0 1 236.359 2.272 20 0 BEADMN CCN(CC)Cc1nnc(-c2ccccc2O)o1 ZINC000877929800 590450352 /nfs/dbraw/zinc/45/03/52/590450352.db2.gz NLQAGILDPFUENE-UHFFFAOYSA-N 0 1 247.298 2.284 20 0 BEADMN CC(C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000877950153 590454691 /nfs/dbraw/zinc/45/46/91/590454691.db2.gz CBZYPHFXTFKMPO-MFKMUULPSA-N 0 1 249.358 2.238 20 0 BEADMN Cc1noc(C)c1CN(C)CC[C@H](O)C(C)C ZINC000877956542 590457120 /nfs/dbraw/zinc/45/71/20/590457120.db2.gz RVLPWAPPCMXIOB-ZDUSSCGKSA-N 0 1 240.347 2.130 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000877962950 590459386 /nfs/dbraw/zinc/45/93/86/590459386.db2.gz BPSMOZBCGPPIFY-RNCFNFMXSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1ncc(CN(C)CC[C@H](O)C(C)C)s1 ZINC000877972840 590463334 /nfs/dbraw/zinc/46/33/34/590463334.db2.gz PVOYZSHOICBFCE-LBPRGKRZSA-N 0 1 242.388 2.290 20 0 BEADMN CC[N@@H+](CCOC)C[C@@H]1CCC2(CCC2)O1 ZINC000877993413 590467464 /nfs/dbraw/zinc/46/74/64/590467464.db2.gz LLMLMXSEZMJTKU-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN CC1(C)COCCN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877995421 590468599 /nfs/dbraw/zinc/46/85/99/590468599.db2.gz HDDIJVXTMRNFDN-AGIUHOORSA-N 0 1 239.359 2.055 20 0 BEADMN CCCCN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878007708 590471071 /nfs/dbraw/zinc/47/10/71/590471071.db2.gz INRRHVUDWUMVPV-GXFFZTMASA-N 0 1 249.358 2.334 20 0 BEADMN COC(=O)[C@H]1CCCN1CC1CC2(CCC2)C1 ZINC000878055524 590484439 /nfs/dbraw/zinc/48/44/39/590484439.db2.gz VURWIPUPUTUNJG-GFCCVEGCSA-N 0 1 237.343 2.204 20 0 BEADMN Cc1ncsc1CN(C)CC[C@H](O)C(C)C ZINC000878090481 590491095 /nfs/dbraw/zinc/49/10/95/590491095.db2.gz XBJAIUXRZWDUII-NSHDSACASA-N 0 1 242.388 2.290 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)Nc1ncccc1C ZINC000878093340 590491815 /nfs/dbraw/zinc/49/18/15/590491815.db2.gz ILTISQBHBSRLAT-LLVKDONJSA-N 0 1 249.358 2.306 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878109065 590495966 /nfs/dbraw/zinc/49/59/66/590495966.db2.gz QBDSKSGFDUZGIB-RFQIPJPRSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@@H]1COCCN1C[C@H]1CCCC(C)(C)O1 ZINC000878108762 590495972 /nfs/dbraw/zinc/49/59/72/590495972.db2.gz OBNRKLNJLOYOGT-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN CC(=O)CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000878133219 590503548 /nfs/dbraw/zinc/50/35/48/590503548.db2.gz GSSJWEOBRISMCJ-OAHLLOKOSA-N 0 1 246.354 2.479 20 0 BEADMN Cc1conc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000878133170 590503886 /nfs/dbraw/zinc/50/38/86/590503886.db2.gz HFNSLEUDFNTJSQ-AOOOYVTPSA-N 0 1 206.289 2.071 20 0 BEADMN C[C@@H]1CCCN1CCCS(=O)(=O)C(C)(C)C ZINC000878150767 590506512 /nfs/dbraw/zinc/50/65/12/590506512.db2.gz OYGQHBYYESJMEM-LLVKDONJSA-N 0 1 247.404 2.074 20 0 BEADMN CC(C)CN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878181090 590517502 /nfs/dbraw/zinc/51/75/02/590517502.db2.gz KXAAKFYPRCWGHH-ZWNOBZJWSA-N 0 1 249.358 2.190 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CCC3(CCC3)O2)[C@H]1C ZINC000878196411 590521301 /nfs/dbraw/zinc/52/13/01/590521301.db2.gz AFSFUSDCYNEITO-AVGNSLFASA-N 0 1 239.359 2.197 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CCCC1CC1 ZINC000878191848 590521968 /nfs/dbraw/zinc/52/19/68/590521968.db2.gz WDEMANMRXQSPSX-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878197568 590522485 /nfs/dbraw/zinc/52/24/85/590522485.db2.gz OUAYMMOJVFDCAR-IKOXMDCHSA-N 0 1 239.359 2.053 20 0 BEADMN CC(=O)CNC(C)(C)c1ccc(F)cc1 ZINC000878237480 590527220 /nfs/dbraw/zinc/52/72/20/590527220.db2.gz ZIOIPGOBFJVSPG-UHFFFAOYSA-N 0 1 209.264 2.239 20 0 BEADMN CC(C)[C@H](O)CCNC(C)(C)c1nccs1 ZINC000878249278 590529793 /nfs/dbraw/zinc/52/97/93/590529793.db2.gz MXECZYWABWQXHY-SNVBAGLBSA-N 0 1 242.388 2.375 20 0 BEADMN CC1(C)CCC[C@@H](CN2CCc3n[nH]cc3C2)O1 ZINC000878310322 590539741 /nfs/dbraw/zinc/53/97/41/590539741.db2.gz JVUWTEWLXOSRLK-LBPRGKRZSA-N 0 1 249.358 2.116 20 0 BEADMN CN(Cc1ncc[nH]1)CC1CC2(CCC2)C1 ZINC000878315180 590541834 /nfs/dbraw/zinc/54/18/34/590541834.db2.gz IEOTVNRBTWXTLK-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CC(C)(O)C(C)(C)NCc1coc(C2CC2)n1 ZINC000878338067 590550698 /nfs/dbraw/zinc/55/06/98/590550698.db2.gz VJWHOCXPXABJMI-UHFFFAOYSA-N 0 1 238.331 2.191 20 0 BEADMN C[C@H]1CCOCCN1CCCOC(F)(F)F ZINC000878372420 590555332 /nfs/dbraw/zinc/55/53/32/590555332.db2.gz BAWCOFGXXBYXDI-VIFPVBQESA-N 0 1 241.253 2.024 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H](C)O1 ZINC000878381381 590556687 /nfs/dbraw/zinc/55/66/87/590556687.db2.gz OXCZKKZYSZAHRR-XHJNMGKDSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1conc1CN1CCSC[C@H](C)C1 ZINC000878507019 590582816 /nfs/dbraw/zinc/58/28/16/590582816.db2.gz JUSGXRUSNIEROQ-SECBINFHSA-N 0 1 226.345 2.168 20 0 BEADMN COC(=O)[C@H](C)N(C)CC[C@H]1CCCC1(F)F ZINC000878546849 590589842 /nfs/dbraw/zinc/58/98/42/590589842.db2.gz OXUUBSSWOGZYJO-VHSXEESVSA-N 0 1 249.301 2.305 20 0 BEADMN C=C/C=C\CC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000878549355 590590369 /nfs/dbraw/zinc/59/03/69/590590369.db2.gz FHKQVBZNMROLGM-BYCRGOAPSA-N 0 1 249.314 2.087 20 0 BEADMN C=C/C=C\CCN(CC(=O)OC)[C@H](C)CC ZINC000878549110 590590858 /nfs/dbraw/zinc/59/08/58/590590858.db2.gz AOJPGNLKASRTBM-QDZRJHCZSA-N 0 1 225.332 2.392 20 0 BEADMN C=C/C=C\CCN1CCOC[C@H]1CC(F)F ZINC000878611129 590595675 /nfs/dbraw/zinc/59/56/75/590595675.db2.gz JVNGSMNFJXUUAK-DLRQAJBASA-N 0 1 231.286 2.475 20 0 BEADMN CC(C)N(C[C@@H]1C[C@H]2CCC[C@H]2O1)C1COC1 ZINC000878657306 590603846 /nfs/dbraw/zinc/60/38/46/590603846.db2.gz CRUZNIAZKCRENE-KWCYVHTRSA-N 0 1 239.359 2.053 20 0 BEADMN C=C/C=C/CCN1CC[S@](=O)C(C)(C)CC1 ZINC000878683493 590609127 /nfs/dbraw/zinc/60/91/27/590609127.db2.gz ZNWARRLJERZLCI-JFDDCEBESA-N 0 1 241.400 2.352 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1n[n-]c(=O)o1)CC(C)(C)C ZINC000878726116 590616793 /nfs/dbraw/zinc/61/67/93/590616793.db2.gz JLPAYJHIRQRJLB-VIFPVBQESA-N 0 1 241.335 2.279 20 0 BEADMN CC(C)c1nc(CN2CCC=C(Cl)C2)n[nH]1 ZINC000878790399 590622325 /nfs/dbraw/zinc/62/23/25/590622325.db2.gz KTJJIFDCWJJWGT-UHFFFAOYSA-N 0 1 240.738 2.257 20 0 BEADMN CCc1nc([C@H](C)N2CCC=C(Cl)C2)n[nH]1 ZINC000878790029 590622365 /nfs/dbraw/zinc/62/23/65/590622365.db2.gz BFRPPXIKVHUOOJ-QMMMGPOBSA-N 0 1 240.738 2.257 20 0 BEADMN CC[C@H](CN1CCC=C(Cl)C1)OC ZINC000878790449 590622603 /nfs/dbraw/zinc/62/26/03/590622603.db2.gz MBINUDQIMJBRGK-SNVBAGLBSA-N 0 1 203.713 2.240 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@H]1CCC(C)(C)CO1 ZINC000878884889 590639695 /nfs/dbraw/zinc/63/96/95/590639695.db2.gz OGURRWJKQFMVRK-LBPRGKRZSA-N 0 1 237.347 2.047 20 0 BEADMN CN(CC[C@@H]1CCOC1)Cc1ccns1 ZINC000878898870 590642988 /nfs/dbraw/zinc/64/29/88/590642988.db2.gz AWQXTFDFLJHNBW-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN FCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878902971 590643996 /nfs/dbraw/zinc/64/39/96/590643996.db2.gz BFKQOSSMYNLIEW-LBPRGKRZSA-N 0 1 245.301 2.389 20 0 BEADMN CO[C@H]1C[C@@H](CN2CCC[C@@H]2c2ncccn2)C1 ZINC000878979605 590665805 /nfs/dbraw/zinc/66/58/05/590665805.db2.gz ZCUIYRMJUXNTHR-FRRDWIJNSA-N 0 1 247.342 2.039 20 0 BEADMN Cc1n[nH]cc1CN(C)C[C@H]1CCC2(CCC2)O1 ZINC000879188637 590709929 /nfs/dbraw/zinc/70/99/29/590709929.db2.gz OPROQWCGQKUPOD-CYBMUJFWSA-N 0 1 249.358 2.252 20 0 BEADMN CO[C@@H](CC(C)C)CN(C)Cc1c[nH]nc1C ZINC000879188656 590710505 /nfs/dbraw/zinc/71/05/05/590710505.db2.gz PHNQBPYJZPZSQL-ZDUSSCGKSA-N 0 1 239.363 2.211 20 0 BEADMN CCc1nocc1CN1C[C@H](OC)CC[C@@H]1C ZINC000879324224 590744727 /nfs/dbraw/zinc/74/47/27/590744727.db2.gz FXFRJGSNKNNZSR-CMPLNLGQSA-N 0 1 238.331 2.236 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 ZINC000879325517 590746609 /nfs/dbraw/zinc/74/66/09/590746609.db2.gz KSTHFYBOPCXFTK-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN C=C/C=C/CCN1C2CCC1(C(=O)OC)CC2 ZINC000879329416 590747508 /nfs/dbraw/zinc/74/75/08/590747508.db2.gz TWNUIBHZAUDZJQ-SNAWJCMRSA-N 0 1 235.327 2.289 20 0 BEADMN CC(C)(C)[C@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000127677678 590749688 /nfs/dbraw/zinc/74/96/88/590749688.db2.gz YNXVCKBBKDJWEK-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H](O)CN1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478196 590778312 /nfs/dbraw/zinc/77/83/12/590778312.db2.gz OOXOHNTYQFCZLJ-OCCSQVGLSA-N 0 1 237.318 2.328 20 0 BEADMN CCC[N@H+]1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879526195 590789646 /nfs/dbraw/zinc/78/96/46/590789646.db2.gz KATKKEHKTORCQS-AWEZNQCLSA-N 0 1 234.343 2.052 20 0 BEADMN CCc1nnc(CN2C[C@@H]3CC=CC[C@@H]3C2)s1 ZINC000879530041 590791943 /nfs/dbraw/zinc/79/19/43/590791943.db2.gz JXNANWVANJBCBM-PHIMTYICSA-N 0 1 249.383 2.499 20 0 BEADMN Cc1nc([C@@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)no1 ZINC000879530217 590792902 /nfs/dbraw/zinc/79/29/02/590792902.db2.gz PJJVMRPEPUKHRL-JLLWLGSASA-N 0 1 233.315 2.337 20 0 BEADMN CC(C)C[C@H](O)CN[C@@H](C)c1cscn1 ZINC000127837131 590796566 /nfs/dbraw/zinc/79/65/66/590796566.db2.gz DBMOTVSABWUTEA-UWVGGRQHSA-N 0 1 228.361 2.201 20 0 BEADMN CCCN1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879632167 590839611 /nfs/dbraw/zinc/83/96/11/590839611.db2.gz TYEKDXKFOFWOGL-CQSZACIVSA-N 0 1 235.327 2.479 20 0 BEADMN Cl/C=C/CN[C@H]1CCCn2nccc21 ZINC000879786521 590868401 /nfs/dbraw/zinc/86/84/01/590868401.db2.gz SOZYATLKAAGTJS-MAHOQKISSA-N 0 1 211.696 2.060 20 0 BEADMN C[S@](=O)CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000879790058 590869009 /nfs/dbraw/zinc/86/90/09/590869009.db2.gz LPPNHKHQSGIUEG-BBRMVZONSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1csc([C@H]2CCN(Cc3ccno3)C2)n1 ZINC000880010841 590909021 /nfs/dbraw/zinc/90/90/21/590909021.db2.gz YKAXDQLHSUWOAT-JTQLQIEISA-N 0 1 249.339 2.429 20 0 BEADMN FC[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000880237124 590967727 /nfs/dbraw/zinc/96/77/27/590967727.db2.gz QJKRXYRQKOVHSP-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN FC[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000880238040 590969431 /nfs/dbraw/zinc/96/94/31/590969431.db2.gz NFEIRQGIUNIFDB-LLVKDONJSA-N 0 1 226.270 2.402 20 0 BEADMN FC1CCN(CC2(Br)CC2)CC1 ZINC000880239762 590972845 /nfs/dbraw/zinc/97/28/45/590972845.db2.gz POTOMQKYQZNZRY-UHFFFAOYSA-N 0 1 236.128 2.348 20 0 BEADMN CN(C)c1cc(CN2CCC(F)CC2)ccn1 ZINC000880240336 590974549 /nfs/dbraw/zinc/97/45/49/590974549.db2.gz VWKIUSVKTNMZDZ-UHFFFAOYSA-N 0 1 237.322 2.082 20 0 BEADMN COc1cccc(CN2CCC(F)CC2)n1 ZINC000880242339 590975888 /nfs/dbraw/zinc/97/58/88/590975888.db2.gz VJQJMDSWIZIWFH-UHFFFAOYSA-N 0 1 224.279 2.024 20 0 BEADMN C[C@@H](c1ccccc1)N1CCN(CCF)CC1 ZINC000880247466 590978192 /nfs/dbraw/zinc/97/81/92/590978192.db2.gz GJIHLOZTISYGGM-ZDUSSCGKSA-N 0 1 236.334 2.335 20 0 BEADMN CC(C)N1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268846 590979850 /nfs/dbraw/zinc/97/98/50/590979850.db2.gz VUCLTQUKVUOMPP-UHFFFAOYSA-N 0 1 233.237 2.126 20 0 BEADMN CC(C)CN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268452 590982193 /nfs/dbraw/zinc/98/21/93/590982193.db2.gz KZAKVWOZYCLRQR-UHFFFAOYSA-N 0 1 247.264 2.374 20 0 BEADMN Cn1cc(CN2CC[C@@H](CF)C2)c(C(F)F)n1 ZINC000880299409 590993527 /nfs/dbraw/zinc/99/35/27/590993527.db2.gz SMUPXJITPMNILG-QMMMGPOBSA-N 0 1 247.264 2.149 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3nccs3)C2)on1 ZINC000880314767 591001343 /nfs/dbraw/zinc/00/13/43/591001343.db2.gz FMVGNKPMDXTZGR-SNVBAGLBSA-N 0 1 249.339 2.429 20 0 BEADMN CC[C@@H](C)CNC1(c2ncccn2)CCC1 ZINC000880365202 591010457 /nfs/dbraw/zinc/01/04/57/591010457.db2.gz FKTDTVAYSMYHMG-LLVKDONJSA-N 0 1 219.332 2.492 20 0 BEADMN COC(=O)CN1CCC[C@@]1(C)c1ccccc1 ZINC000880370947 591014505 /nfs/dbraw/zinc/01/45/05/591014505.db2.gz XKIMLRVAYRFCHB-AWEZNQCLSA-N 0 1 233.311 2.171 20 0 BEADMN CCN(CCF)[C@@H](CO)c1ccccc1 ZINC000880461889 591052287 /nfs/dbraw/zinc/05/22/87/591052287.db2.gz KQNWDMZSDCRRKZ-LBPRGKRZSA-N 0 1 211.280 2.011 20 0 BEADMN FCCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880568585 591098628 /nfs/dbraw/zinc/09/86/28/591098628.db2.gz AWKMSNVNGYSSOA-CYBMUJFWSA-N 0 1 233.290 2.184 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211379445 591163871 /nfs/dbraw/zinc/16/38/71/591163871.db2.gz ZEKUBFGLUSNPIP-VKDKVYATSA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211379445 591163874 /nfs/dbraw/zinc/16/38/74/591163874.db2.gz ZEKUBFGLUSNPIP-VKDKVYATSA-N 0 1 238.114 2.102 20 0 BEADMN Cc1nonc1CN[C@H]1CCC(C)(C)C1 ZINC000128971050 591199307 /nfs/dbraw/zinc/19/93/07/591199307.db2.gz VAWSBZUAJFJZNW-VIFPVBQESA-N 0 1 209.293 2.046 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H]1C ZINC000881481559 591211343 /nfs/dbraw/zinc/21/13/43/591211343.db2.gz HGCSITLMAMNFKA-MRVPVSSYSA-N 0 1 221.304 2.076 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NC[C@]1(C)CC1(C)C ZINC000881541971 591234778 /nfs/dbraw/zinc/23/47/78/591234778.db2.gz JIOVUAMRIDLNTJ-RISCZKNCSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCN(c2cc3ccc(F)cc3cn2)CC1 ZINC000881732699 591267406 /nfs/dbraw/zinc/26/74/06/591267406.db2.gz LFFQGSPDVLBLSW-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN CC1(C)CCC[C@H](CSc2cn[nH]n2)O1 ZINC000882138347 591305059 /nfs/dbraw/zinc/30/50/59/591305059.db2.gz GVTBTZJUJYPIMU-MRVPVSSYSA-N 0 1 227.333 2.245 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC000882487401 591363372 /nfs/dbraw/zinc/36/33/72/591363372.db2.gz DYMCNESPGOMVSR-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000882489909 591367908 /nfs/dbraw/zinc/36/79/08/591367908.db2.gz HARPPQVNJULZKJ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN C=Cc1ccc(C(=O)NC[C@@H]2CCN2CC)cc1 ZINC000882490665 591368730 /nfs/dbraw/zinc/36/87/30/591368730.db2.gz TWXRTEXLMSIHAH-AWEZNQCLSA-N 0 1 244.338 2.154 20 0 BEADMN CCCC(C)(C)CC(=O)NC[C@@H]1CCN1CC ZINC000882492405 591372642 /nfs/dbraw/zinc/37/26/42/591372642.db2.gz REMDOJQGVWFMPY-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C ZINC000882496121 591378286 /nfs/dbraw/zinc/37/82/86/591378286.db2.gz YJGSWLCQWLXQCK-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](CC)C(=O)NC[C@H]1CCN1CC ZINC000882498248 591378606 /nfs/dbraw/zinc/37/86/06/591378606.db2.gz SECIRKQEGHZNHC-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](CC)C(=O)NC[C@@H]1CCN1CC ZINC000882498247 591378969 /nfs/dbraw/zinc/37/89/69/591378969.db2.gz SECIRKQEGHZNHC-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc([C@@H](C)NCc2n[nH]c(C)n2)s1 ZINC000129828665 591410861 /nfs/dbraw/zinc/41/08/61/591410861.db2.gz WTVVTLNVASFGSD-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN CCCCC[C@@H](C)NC(=O)c1ccnc(CN)c1 ZINC000129995722 591427802 /nfs/dbraw/zinc/42/78/02/591427802.db2.gz BMCIZZYLGXKNRA-LLVKDONJSA-N 0 1 249.358 2.239 20 0 BEADMN CN(C)CC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882747673 591428789 /nfs/dbraw/zinc/42/87/89/591428789.db2.gz DCINCSRFSQBLAK-FZMZJTMJSA-N 0 1 244.338 2.009 20 0 BEADMN Cc1nocc1NS(=O)(=O)C1=CCCCC1 ZINC000882748999 591428936 /nfs/dbraw/zinc/42/89/36/591428936.db2.gz HECSFDDFXFKQPG-UHFFFAOYSA-N 0 1 242.300 2.183 20 0 BEADMN CC(C)C[C@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882943057 591481266 /nfs/dbraw/zinc/48/12/66/591481266.db2.gz CKSBNXKCNMIYTD-NSHDSACASA-N 0 1 239.363 2.030 20 0 BEADMN CCC(N)=NOC[C@@H]1CC(C)(C)OC1(C)C ZINC000882958794 591485159 /nfs/dbraw/zinc/48/51/59/591485159.db2.gz KUKIWLUQDZYNOT-VIFPVBQESA-N 0 1 228.336 2.489 20 0 BEADMN Cc1cc(F)c(CN[C@H](CO)C2CC2)c(F)c1 ZINC000883002490 591504102 /nfs/dbraw/zinc/50/41/02/591504102.db2.gz HMTAMGPYGPUMTK-CYBMUJFWSA-N 0 1 241.281 2.134 20 0 BEADMN CC(C)c1c[nH]c(CNCC[C@@H](C)F)n1 ZINC000883130436 591545946 /nfs/dbraw/zinc/54/59/46/591545946.db2.gz FGKPSMJJKIVWRW-SECBINFHSA-N 0 1 213.300 2.371 20 0 BEADMN Cc1cc(CNC[C@@H](C)c2c(C)noc2C)no1 ZINC000883073808 591535728 /nfs/dbraw/zinc/53/57/28/591535728.db2.gz BSAWRHKZPQLZQB-MRVPVSSYSA-N 0 1 249.314 2.481 20 0 BEADMN Cc1cc(CNC[C@H](C)c2c(C)noc2C)no1 ZINC000883073809 591536189 /nfs/dbraw/zinc/53/61/89/591536189.db2.gz BSAWRHKZPQLZQB-QMMMGPOBSA-N 0 1 249.314 2.481 20 0 BEADMN Cc1cc(CN[C@@H]2CCO[C@H](C3CC3)C2)no1 ZINC000883088761 591538346 /nfs/dbraw/zinc/53/83/46/591538346.db2.gz PLNNWFZLFYRRAY-YPMHNXCESA-N 0 1 236.315 2.030 20 0 BEADMN CC[C@]1(NCc2nc(C(C)C)c[nH]2)CCOC1 ZINC000883102437 591539207 /nfs/dbraw/zinc/53/92/07/591539207.db2.gz PJHCMMCKHUHPDI-ZDUSSCGKSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CSC[C@H]2C)n1 ZINC000883117767 591543080 /nfs/dbraw/zinc/54/30/80/591543080.db2.gz HWCSRSKXNBOXDR-KOLCDFICSA-N 0 1 239.388 2.374 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883122730 591543742 /nfs/dbraw/zinc/54/37/42/591543742.db2.gz XMXHXAYUMHWVIT-ZJUUUORDSA-N 0 1 225.336 2.046 20 0 BEADMN CC(C)c1c[nH]c(CNCC[C@H](C)F)n1 ZINC000883130437 591545761 /nfs/dbraw/zinc/54/57/61/591545761.db2.gz FGKPSMJJKIVWRW-VIFPVBQESA-N 0 1 213.300 2.371 20 0 BEADMN CCC[C@@H](CNCc1nc(C(C)C)c[nH]1)OC ZINC000883131899 591546739 /nfs/dbraw/zinc/54/67/39/591546739.db2.gz YAPIQOGTJMMAJB-NSHDSACASA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@@H](C)O2)n1 ZINC000883140545 591550170 /nfs/dbraw/zinc/55/01/70/591550170.db2.gz WVJGUSLATXGUNG-MNOVXSKESA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CO[C@@H](C3CC3)C2)n1 ZINC000883190465 591567851 /nfs/dbraw/zinc/56/78/51/591567851.db2.gz DIRYZNMYIXFREV-DGCLKSJQSA-N 0 1 249.358 2.190 20 0 BEADMN COc1nccnc1CNCC1(CC2CC2)CC1 ZINC000883248896 591589728 /nfs/dbraw/zinc/58/97/28/591589728.db2.gz KNLFRNDCVWJKLO-UHFFFAOYSA-N 0 1 247.342 2.155 20 0 BEADMN CCC[C@H](C)CCNCc1cnn(CC)n1 ZINC000883250730 591591487 /nfs/dbraw/zinc/59/14/87/591591487.db2.gz LCWVGJKABNVTBY-NSHDSACASA-N 0 1 224.352 2.214 20 0 BEADMN Cc1ccc(CN[C@@H]2CCO[C@H]2C)c(Cl)n1 ZINC000883292857 591608875 /nfs/dbraw/zinc/60/88/75/591608875.db2.gz BXBGFONYQPBCJL-GXSJLCMTSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@@H]1C[C@@H](NC2(c3ncccn3)CCC2)CCO1 ZINC000883307001 591610541 /nfs/dbraw/zinc/61/05/41/591610541.db2.gz KASMIGYXKSZOJE-NEPJUHHUSA-N 0 1 247.342 2.013 20 0 BEADMN C[C@H]1C[C@H](NC2(c3ncccn3)CCC2)CCO1 ZINC000883307002 591610620 /nfs/dbraw/zinc/61/06/20/591610620.db2.gz KASMIGYXKSZOJE-NWDGAFQWSA-N 0 1 247.342 2.013 20 0 BEADMN CCCCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000131455874 591611199 /nfs/dbraw/zinc/61/11/99/591611199.db2.gz VSZYBFJDZASFCT-GHMZBOCLSA-N 0 1 213.321 2.203 20 0 BEADMN COC[C@H]1C[C@@H](NCc2nc3ccccc3o2)C1 ZINC000883315284 591612774 /nfs/dbraw/zinc/61/27/74/591612774.db2.gz FJQWPOPXCCBRRL-PHIMTYICSA-N 0 1 246.310 2.342 20 0 BEADMN C[C@H]1C[C@@H](NCc2cc(O)ccc2Cl)CO1 ZINC000883324992 591616161 /nfs/dbraw/zinc/61/61/61/591616161.db2.gz LKLDLVRDTRUCBU-WCBMZHEXSA-N 0 1 241.718 2.313 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1cccs1)C(=O)[O-] ZINC000214595195 591635906 /nfs/dbraw/zinc/63/59/06/591635906.db2.gz BIOZAELNULOBMZ-WEVVVXLNSA-N 0 1 225.313 2.211 20 0 BEADMN C[C@H](CCO)NCc1nsc2ccccc12 ZINC000883403573 591649223 /nfs/dbraw/zinc/64/92/23/591649223.db2.gz XJUBEAULOZAGPU-SECBINFHSA-N 0 1 236.340 2.157 20 0 BEADMN CC[C@@H]1C[C@@H](CN[C@@H](C)C(F)F)CCO1 ZINC000883407425 591651229 /nfs/dbraw/zinc/65/12/29/591651229.db2.gz VNFKMNDZVPJKGV-LPEHRKFASA-N 0 1 221.291 2.435 20 0 BEADMN C/C(=C\C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000214748144 591780986 /nfs/dbraw/zinc/78/09/86/591780986.db2.gz DGVWQJMMYZAKPJ-GVDBZTIHSA-N 0 1 211.305 2.280 20 0 BEADMN CCN(Cc1cn(CC)nn1)C1CCCC1 ZINC000883998279 591790229 /nfs/dbraw/zinc/79/02/29/591790229.db2.gz DOHWOFDEWHYIGH-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCn1cc(CN2C3CCCC2CCC3)nn1 ZINC000884002698 591792124 /nfs/dbraw/zinc/79/21/24/591792124.db2.gz WMTQYUYGBMHPJJ-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN CCn1cc(CN2CCC3(CCCC3)CC2)nn1 ZINC000884003291 591793505 /nfs/dbraw/zinc/79/35/05/591793505.db2.gz JOVYXBDNGAQZLN-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2CCN(C)C2)s1 ZINC000134846956 591953131 /nfs/dbraw/zinc/95/31/31/591953131.db2.gz ULPCWHZNWMNLHX-SNVBAGLBSA-N 0 1 239.388 2.060 20 0 BEADMN CC(C)c1cnc(CN[C@H]2CCN(C)C2)s1 ZINC000134846976 591953266 /nfs/dbraw/zinc/95/32/66/591953266.db2.gz ULPCWHZNWMNLHX-JTQLQIEISA-N 0 1 239.388 2.060 20 0 BEADMN CC(C)CCCCCC(=O)N1CC(N(C)C)C1 ZINC000135046930 591979072 /nfs/dbraw/zinc/97/90/72/591979072.db2.gz UELPJMIWCCHKNG-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCC1CC1 ZINC000885260112 592061527 /nfs/dbraw/zinc/06/15/27/592061527.db2.gz OSPFMIUCMIPAOU-ZANVPECISA-N 0 1 248.326 2.419 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCC1CC1 ZINC000885260111 592061583 /nfs/dbraw/zinc/06/15/83/592061583.db2.gz OSPFMIUCMIPAOU-TVQRCGJNSA-N 0 1 248.326 2.419 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2(C3CC3)CC2)n[nH]1 ZINC000885730115 592095043 /nfs/dbraw/zinc/09/50/43/592095043.db2.gz AEWRNCDHTIVRFE-QMMMGPOBSA-N 0 1 249.314 2.162 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)OCC3CC3)c2C1 ZINC000885884728 592105415 /nfs/dbraw/zinc/10/54/15/592105415.db2.gz LLQXHJRTTCDPKD-MRVPVSSYSA-N 0 1 234.299 2.101 20 0 BEADMN Cc1occc1CN(C)C[C@@](C)(O)C(F)F ZINC000885965253 592116798 /nfs/dbraw/zinc/11/67/98/592116798.db2.gz KESNIIFVEVIPAX-LLVKDONJSA-N 0 1 233.258 2.036 20 0 BEADMN CO[C@@H]1CCCN(CCSC(F)(F)F)C1 ZINC000885983467 592120971 /nfs/dbraw/zinc/12/09/71/592120971.db2.gz HOSCYTUNJZIXBN-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1[nH]nc(CNc2ccc(N(C)C)nc2)c1C ZINC000886020568 592134144 /nfs/dbraw/zinc/13/41/44/592134144.db2.gz CUQUBCUINPODNH-UHFFFAOYSA-N 0 1 245.330 2.100 20 0 BEADMN Cc1[nH]nc(CNc2ccnn2CC2CC2)c1C ZINC000886023762 592134432 /nfs/dbraw/zinc/13/44/32/592134432.db2.gz SMQISPPMNPNJKP-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN CN(CC[C@@H]1C[C@H]1C1CC1)Cc1cnccn1 ZINC000886034733 592138399 /nfs/dbraw/zinc/13/83/99/592138399.db2.gz DZLSUKYDJLGRNQ-OCCSQVGLSA-N 0 1 231.343 2.345 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886087511 592145426 /nfs/dbraw/zinc/14/54/26/592145426.db2.gz VKHRRNVZZDIERH-LSDHHAIUSA-N 0 1 246.354 2.471 20 0 BEADMN C[C@@H]1CCOCCN1CCSC(F)(F)F ZINC000886114621 592156382 /nfs/dbraw/zinc/15/63/82/592156382.db2.gz SZKSKVQXBYRPQR-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1[nH]nc(CNc2ccn(C(C)C)n2)c1C ZINC000886102492 592155797 /nfs/dbraw/zinc/15/57/97/592155797.db2.gz ILYWRKUUVJOCDO-UHFFFAOYSA-N 0 1 233.319 2.416 20 0 BEADMN Cc1[nH]nc(CN[C@H](C2CC2)C(F)(F)F)c1C ZINC000886118886 592157893 /nfs/dbraw/zinc/15/78/93/592157893.db2.gz RYVVIKRYSXORKM-SNVBAGLBSA-N 0 1 247.264 2.457 20 0 BEADMN CCc1nc(C)c(CNCc2n[nH]c(C)c2C)o1 ZINC000886125233 592158974 /nfs/dbraw/zinc/15/89/74/592158974.db2.gz MACLSGXKMVURJV-UHFFFAOYSA-N 0 1 248.330 2.175 20 0 BEADMN CCn1ccnc1[C@@H](C)NCc1n[nH]c(C)c1C ZINC000886134428 592160914 /nfs/dbraw/zinc/16/09/14/592160914.db2.gz RSBCPSISGUTGTD-LLVKDONJSA-N 0 1 247.346 2.094 20 0 BEADMN Cc1ccoc1CN(C)C[C@@](C)(O)C(F)F ZINC000886215456 592178281 /nfs/dbraw/zinc/17/82/81/592178281.db2.gz KPDNFCMJDYSYPN-LLVKDONJSA-N 0 1 233.258 2.036 20 0 BEADMN C[C@H](NC[C@@H]1CCSC1)c1ncco1 ZINC000886272236 592192711 /nfs/dbraw/zinc/19/27/11/592192711.db2.gz KSCOZCNFUJQGDE-IUCAKERBSA-N 0 1 212.318 2.078 20 0 BEADMN C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ncco1 ZINC000886272694 592192814 /nfs/dbraw/zinc/19/28/14/592192814.db2.gz ZBVZVMOZCIKTFP-VHSXEESVSA-N 0 1 224.304 2.283 20 0 BEADMN Cc1cn[nH]c1CN1CC2(CCCC2)OC[C@H]1C ZINC000886283587 592200545 /nfs/dbraw/zinc/20/05/45/592200545.db2.gz AROMRDOXEQVAES-GFCCVEGCSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1ncc(CNC[C@@H]2CC3(CCC3)CO2)o1 ZINC000886287151 592201047 /nfs/dbraw/zinc/20/10/47/592201047.db2.gz KXKNHCNLTLVTQD-NSHDSACASA-N 0 1 236.315 2.032 20 0 BEADMN Cc1ccc(C)c(NC(=O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886329544 592210013 /nfs/dbraw/zinc/21/00/13/592210013.db2.gz GBOIADSNMFMBJA-BETUJISGSA-N 0 1 244.338 2.194 20 0 BEADMN COC(=O)c1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000886346256 592212697 /nfs/dbraw/zinc/21/26/97/592212697.db2.gz DYMOEIVNSIGWNL-TXEJJXNPSA-N 0 1 249.285 2.064 20 0 BEADMN COCC1(CN[C@H](C)c2ncco2)CCC1 ZINC000886538186 592252034 /nfs/dbraw/zinc/25/20/34/592252034.db2.gz CTBTVJMFTGJOST-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN C[C@@H](Cc1ccncc1)N[C@@H](C)c1ncco1 ZINC000886538663 592252621 /nfs/dbraw/zinc/25/26/21/592252621.db2.gz MADBHEDCVREKSJ-QWRGUYRKSA-N 0 1 231.299 2.351 20 0 BEADMN CC[C@H](C)C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886591351 592270622 /nfs/dbraw/zinc/27/06/22/592270622.db2.gz RTRSNERBTLRWAK-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)Nc1cccnc1)N1CCCCCC1 ZINC000074165966 592305436 /nfs/dbraw/zinc/30/54/36/592305436.db2.gz UASXEEUPOOTZSD-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN c1csc(CN2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC000886822092 592345733 /nfs/dbraw/zinc/34/57/33/592345733.db2.gz MDKSJIKZVQWHHH-GHMZBOCLSA-N 0 1 238.356 2.144 20 0 BEADMN Cc1cccc(N2CCCC[C@H]2CC(=O)[O-])[nH+]1 ZINC000886915363 592396130 /nfs/dbraw/zinc/39/61/30/592396130.db2.gz CUHGVQOEBUAZHS-NSHDSACASA-N 0 1 234.299 2.224 20 0 BEADMN CC[C@H]1CCCCN1C(=O)CN(C)CCCF ZINC000887136056 592451477 /nfs/dbraw/zinc/45/14/77/592451477.db2.gz ILILSJFWLMDYRI-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN CN(CCCF)CC[S@@](=O)c1ccccc1 ZINC000887138926 592453404 /nfs/dbraw/zinc/45/34/04/592453404.db2.gz RMEPTJLPZXJVFV-MRXNPFEDSA-N 0 1 243.347 2.086 20 0 BEADMN CN(CCCF)Cc1cnc2ccccc2n1 ZINC000887142684 592459500 /nfs/dbraw/zinc/45/95/00/592459500.db2.gz WDKXFNSRNLGWIR-UHFFFAOYSA-N 0 1 233.290 2.421 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC(C)(C)C1CC1 ZINC000887371681 592495090 /nfs/dbraw/zinc/49/50/90/592495090.db2.gz BKKFGOZRIXDWAT-JTQLQIEISA-N 0 1 249.358 2.141 20 0 BEADMN Cc1cn[nH]c1C[S@@](=O)Cc1cccc(C)c1 ZINC000887374164 592496615 /nfs/dbraw/zinc/49/66/15/592496615.db2.gz FYSUZLBUDTYJTI-KRWDZBQOSA-N 0 1 248.351 2.475 20 0 BEADMN Cc1cn[nH]c1C[S@@](=O)Cc1ccc(C)cc1 ZINC000887374099 592496653 /nfs/dbraw/zinc/49/66/53/592496653.db2.gz DRTRHBFGFOCYHB-KRWDZBQOSA-N 0 1 248.351 2.475 20 0 BEADMN Cc1cc(CNCC[C@@H](O)c2ccccc2)on1 ZINC000302668267 592551468 /nfs/dbraw/zinc/55/14/68/592551468.db2.gz ZZTXHAUIPWNSIK-CQSZACIVSA-N 0 1 246.310 2.196 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CCC=CCCC1)N(C)C ZINC000890047536 592671718 /nfs/dbraw/zinc/67/17/18/592671718.db2.gz SMTTZFYGYRQCOA-OLZOCXBDSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1CN(CC2CC(F)(F)C2)C[C@@H](C)C1=O ZINC000829236279 592707889 /nfs/dbraw/zinc/70/78/89/592707889.db2.gz HSSZCELIMHBFHY-RKDXNWHRSA-N 0 1 231.286 2.189 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739056750 601956810 /nfs/dbraw/zinc/95/68/10/601956810.db2.gz FUTMBLHUIAHWRV-RYUDHWBXSA-N 0 1 248.326 2.337 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000739586298 602679424 /nfs/dbraw/zinc/67/94/24/602679424.db2.gz QPTXTQZZPWTGID-VXGBXAGGSA-N 0 1 238.331 2.169 20 0 BEADMN Cc1csc(C[NH2+][C@H](CC(C)C)C(=O)[O-])n1 ZINC000087393119 597017355 /nfs/dbraw/zinc/01/73/55/597017355.db2.gz VWCNKWXXCMAWQS-SECBINFHSA-N 0 1 242.344 2.040 20 0 BEADMN Cc1csc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)[O-])n1 ZINC000309796408 597058408 /nfs/dbraw/zinc/05/84/08/597058408.db2.gz VMBJHJHHPSJWHR-DTWKUNHWSA-N 0 1 240.328 2.062 20 0 BEADMN Cc1csc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)[O-])n1 ZINC000309796408 597058411 /nfs/dbraw/zinc/05/84/11/597058411.db2.gz VMBJHJHHPSJWHR-DTWKUNHWSA-N 0 1 240.328 2.062 20 0 BEADMN CC[N@@H+](CCc1ccccc1F)[C@@H](C)C(=O)[O-] ZINC000739439727 597073933 /nfs/dbraw/zinc/07/39/33/597073933.db2.gz QLPDYHCLQRDXSU-JTQLQIEISA-N 0 1 239.290 2.163 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000167800565 597075387 /nfs/dbraw/zinc/07/53/87/597075387.db2.gz DIIHZSZDTFVLPC-NEPJUHHUSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000167800677 597075399 /nfs/dbraw/zinc/07/53/99/597075399.db2.gz DIIHZSZDTFVLPC-VXGBXAGGSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC12CCCCC2 ZINC000308882586 597437984 /nfs/dbraw/zinc/43/79/84/597437984.db2.gz UTGWPHWSWJVLFE-UHFFFAOYSA-N 0 1 211.305 2.260 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000380799413 597801522 /nfs/dbraw/zinc/80/15/22/597801522.db2.gz BNXBGNJBNRHCEY-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000381158066 597811756 /nfs/dbraw/zinc/81/17/56/597811756.db2.gz QQMOIDJRNCVONJ-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@@H]1CC=CCC1 ZINC000380066984 598120843 /nfs/dbraw/zinc/12/08/43/598120843.db2.gz CCHOOUXSTXAXGL-LLVKDONJSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000086789775 598128899 /nfs/dbraw/zinc/12/88/99/598128899.db2.gz YYELPQQNMHWQFI-LLVKDONJSA-N 0 1 237.274 2.041 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cncc2ccccc21 ZINC000165280314 598131731 /nfs/dbraw/zinc/13/17/31/598131731.db2.gz BBLNXICWESJGDH-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1F ZINC000086726476 598134086 /nfs/dbraw/zinc/13/40/86/598134086.db2.gz ULHFENBNWWXTRC-LBPRGKRZSA-N 0 1 237.274 2.183 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000054299891 598151684 /nfs/dbraw/zinc/15/16/84/598151684.db2.gz NODOFUNKJIJVMD-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000086756958 598151729 /nfs/dbraw/zinc/15/17/29/598151729.db2.gz RCSFSEHAODCCKK-GFCCVEGCSA-N 0 1 249.310 2.079 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccc(C)cc1)C(=O)[O-] ZINC000088630394 601153196 /nfs/dbraw/zinc/15/31/96/601153196.db2.gz ZWZJJGLIHQPQPP-WQLSENKSSA-N 0 1 233.311 2.458 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000051330465 599772049 /nfs/dbraw/zinc/77/20/49/599772049.db2.gz HUFMRLCBKMLAQO-JTQLQIEISA-N 0 1 223.272 2.352 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000082718141 599813614 /nfs/dbraw/zinc/81/36/14/599813614.db2.gz PWBMGFZRMJECHB-NXEZZACHSA-N 0 1 213.321 2.360 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)o1 ZINC000706432092 599964693 /nfs/dbraw/zinc/96/46/93/599964693.db2.gz OTBBBNUHZHRBLJ-LLVKDONJSA-N 0 1 235.283 2.352 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000738588178 600138781 /nfs/dbraw/zinc/13/87/81/600138781.db2.gz YPISEAAKBSBFII-JTQLQIEISA-N 0 1 237.274 2.090 20 0 BEADMN C[C@H]1C[N@@H+](CCCC(=O)[O-])Cc2ccccc21 ZINC000736811683 600316968 /nfs/dbraw/zinc/31/69/68/600316968.db2.gz SBTVCSYBHUTTGO-NSHDSACASA-N 0 1 233.311 2.471 20 0 BEADMN CC[N@@H+](Cc1occc1C(=O)[O-])C1CCC1 ZINC000706787514 600432265 /nfs/dbraw/zinc/43/22/65/600432265.db2.gz CEOFUNPLUBUHRH-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CC[N@H+](CCC(=O)[O-])Cc1ncc(C(C)C)o1 ZINC000700784789 600639574 /nfs/dbraw/zinc/63/95/74/600639574.db2.gz SMRRTWRQNAJSPW-UHFFFAOYSA-N 0 1 240.303 2.095 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ncc(C(C)C)o1 ZINC000700784789 600639576 /nfs/dbraw/zinc/63/95/76/600639576.db2.gz SMRRTWRQNAJSPW-UHFFFAOYSA-N 0 1 240.303 2.095 20 0 BEADMN CCCCCC[N@@H+](CC(=O)[O-])C(C)C ZINC000037994907 600712535 /nfs/dbraw/zinc/71/25/35/600712535.db2.gz SVPNBKWNIUJQBN-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000309325383 601042647 /nfs/dbraw/zinc/04/26/47/601042647.db2.gz GHKHFPKWJATUTR-SCVCMEIPSA-N 0 1 219.284 2.153 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccccc1F)C(=O)[O-] ZINC000088630452 601051556 /nfs/dbraw/zinc/05/15/56/601051556.db2.gz ZWYDOYSJYFRNMP-YFHOEESVSA-N 0 1 237.274 2.288 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000084003074 601159496 /nfs/dbraw/zinc/15/94/96/601159496.db2.gz FLMRPQKXUGCTIY-CHPNCVJKSA-N 0 1 211.305 2.139 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000308755483 601169065 /nfs/dbraw/zinc/16/90/65/601169065.db2.gz RLKJAOKFSCSONY-CYNRKNSPSA-N 0 1 231.361 2.091 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]2CCC[C@H]21)C(=O)[O-] ZINC000228325221 601175976 /nfs/dbraw/zinc/17/59/76/601175976.db2.gz HNGCZKMBSLFCMZ-DXGKCEBASA-N 0 1 223.316 2.282 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000133371389 601327826 /nfs/dbraw/zinc/32/78/26/601327826.db2.gz KPSJDGTUGNUXOT-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN C/C(=C/C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000309731961 601425571 /nfs/dbraw/zinc/42/55/71/601425571.db2.gz SHOCPKPBIIGHFX-BCJNBQOMSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@H]1C[N@@H+](Cc2occc2C(=O)[O-])C[C@H]1C ZINC000086010553 601428538 /nfs/dbraw/zinc/42/85/38/601428538.db2.gz KFCWBZFKXMJIIS-DTORHVGOSA-N 0 1 223.272 2.066 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000380602206 601450580 /nfs/dbraw/zinc/45/05/80/601450580.db2.gz XIQFJGFKBUQFAL-OUAUKWLOSA-N 0 1 213.321 2.360 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@H]1C ZINC000380624125 601449255 /nfs/dbraw/zinc/44/92/55/601449255.db2.gz HHCILFDVODXVTK-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H]1C ZINC000380659741 601450966 /nfs/dbraw/zinc/45/09/66/601450966.db2.gz SJFYQSICNXFXIK-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000160601144 601496639 /nfs/dbraw/zinc/49/66/39/601496639.db2.gz CJCLSQQHMKZSGI-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000238164141 601498335 /nfs/dbraw/zinc/49/83/35/601498335.db2.gz QSYCYUUSQLYNLG-LLVKDONJSA-N 0 1 237.274 2.090 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000251804288 601504918 /nfs/dbraw/zinc/50/49/18/601504918.db2.gz OCMLZOBHUQXCKK-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN CCC1(CC)CC[N@@H+](CCCC(=O)[O-])C1 ZINC000087256686 601543566 /nfs/dbraw/zinc/54/35/66/601543566.db2.gz SLXDGWPVLRGZPZ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)C1(C)CC1)C(=O)[O-] ZINC000385188683 601612090 /nfs/dbraw/zinc/61/20/90/601612090.db2.gz LQJMNVFBQOTVNI-BSKOKIOFSA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739453329 601923075 /nfs/dbraw/zinc/92/30/75/601923075.db2.gz FTHBEPVENVZDAO-QWRGUYRKSA-N 0 1 226.320 2.003 20 0 BEADMN CCC[C@@H]1CCC[N@H+]([C@H](CC)C(=O)[O-])C1 ZINC000248816232 601967097 /nfs/dbraw/zinc/96/70/97/601967097.db2.gz DAQAPPOOTGWJOQ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC1CC1 ZINC000250827701 602033758 /nfs/dbraw/zinc/03/37/58/602033758.db2.gz HZGJGFYVXJXHAE-UTUOFQBUSA-N 0 1 223.316 2.114 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000086000587 602044781 /nfs/dbraw/zinc/04/47/81/602044781.db2.gz ZEKUBFGLUSNPIP-OJKBXMANSA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086000587 602044785 /nfs/dbraw/zinc/04/47/85/602044785.db2.gz ZEKUBFGLUSNPIP-OJKBXMANSA-N 0 1 238.114 2.102 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086000752 602050305 /nfs/dbraw/zinc/05/03/05/602050305.db2.gz ZMUFSBJVUVOUFM-WYDVEAGSSA-N 0 1 238.114 2.102 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000082509352 602206797 /nfs/dbraw/zinc/20/67/97/602206797.db2.gz UCNQBCSRJZEPHY-UHFFFAOYSA-N 0 1 213.302 2.287 20 0 BEADMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000736785582 602450982 /nfs/dbraw/zinc/45/09/82/602450982.db2.gz SNCCIOOQPOIUMT-NWDGAFQWSA-N 0 1 240.347 2.251 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739110900 602450865 /nfs/dbraw/zinc/45/08/65/602450865.db2.gz PDLWWBKUOXMQLD-VXGBXAGGSA-N 0 1 240.347 2.108 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739240259 602554953 /nfs/dbraw/zinc/55/49/53/602554953.db2.gz WCBLPPJALIFIEB-LLVKDONJSA-N 0 1 242.363 2.354 20 0 BEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[O-] ZINC000740155718 602663656 /nfs/dbraw/zinc/66/36/56/602663656.db2.gz ULTCGEQPBXRUJO-YPMHNXCESA-N 0 1 246.310 2.281 20 0 BEADMN CC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739236418 602705520 /nfs/dbraw/zinc/70/55/20/602705520.db2.gz LOKWEVQFPNITGC-WDEREUQCSA-N 0 1 228.336 2.107 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738696671 602737221 /nfs/dbraw/zinc/73/72/21/602737221.db2.gz JQQREXUCUPJNHP-SNVBAGLBSA-N 0 1 228.336 2.012 20 0 BEADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000738943902 602737291 /nfs/dbraw/zinc/73/72/91/602737291.db2.gz UEVHEZWLHBCOCJ-SECBINFHSA-N 0 1 216.325 2.011 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738696670 602737062 /nfs/dbraw/zinc/73/70/62/602737062.db2.gz JQQREXUCUPJNHP-JTQLQIEISA-N 0 1 228.336 2.012 20 0 BEADMN CN(C[C@H]1CC[N@@H+](CCC(C)(C)C)C1)C(=O)[O-] ZINC000739667015 602737678 /nfs/dbraw/zinc/73/76/78/602737678.db2.gz WZHSHAFMDZRXNX-LLVKDONJSA-N 0 1 242.363 2.354 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738819680 602768275 /nfs/dbraw/zinc/76/82/75/602768275.db2.gz WITGDDDIKYEOLI-GHMZBOCLSA-N 0 1 228.336 2.011 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739175709 602772405 /nfs/dbraw/zinc/77/24/05/602772405.db2.gz KMCQYFCWFFSDPT-IJLUTSLNSA-N 0 1 238.331 2.073 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000739081125 602800796 /nfs/dbraw/zinc/80/07/96/602800796.db2.gz PXRUKJHYLPAFCT-QWRGUYRKSA-N 0 1 240.347 2.107 20 0 BEADMN CC[N@@H+](CC1CC1)CC1CCN(C(=O)[O-])CC1 ZINC000739415665 602818398 /nfs/dbraw/zinc/81/83/98/602818398.db2.gz YCVAQKWADZZPII-UHFFFAOYSA-N 0 1 240.347 2.108 20 0 BEADMN C[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CCCCC1 ZINC000739656279 602975211 /nfs/dbraw/zinc/97/52/11/602975211.db2.gz FPDOUOFDGCTOJC-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739275038 602975444 /nfs/dbraw/zinc/97/54/44/602975444.db2.gz ZDVKFCMPEVCPBV-NWDGAFQWSA-N 0 1 240.347 2.251 20 0 BEADMN CCCC[N@@H+](CC)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739333969 602977029 /nfs/dbraw/zinc/97/70/29/602977029.db2.gz OEWOIEAJCHNWQK-LLVKDONJSA-N 0 1 228.336 2.108 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000739330928 603022457 /nfs/dbraw/zinc/02/24/57/603022457.db2.gz PTFHKAHDPZHLHW-LLVKDONJSA-N 0 1 228.336 2.156 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739263114 603324501 /nfs/dbraw/zinc/32/45/01/603324501.db2.gz AFYVISFGUUAWLQ-VXGBXAGGSA-N 0 1 240.347 2.108 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739298743 603324644 /nfs/dbraw/zinc/32/46/44/603324644.db2.gz FLYCLVFRYNTZOP-GHMZBOCLSA-N 0 1 228.336 2.107 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739298745 603324845 /nfs/dbraw/zinc/32/48/45/603324845.db2.gz FLYCLVFRYNTZOP-MNOVXSKESA-N 0 1 228.336 2.107 20 0 BEADMN C[N@@H+](C/C=C\Cl)C1(C(=O)[O-])CCCC1 ZINC000308658042 604459776 /nfs/dbraw/zinc/45/97/76/604459776.db2.gz OHRWYOIZJRDQCV-DAXSKMNVSA-N 0 1 217.696 2.068 20 0 BEADMN CCC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)CC1CC1 ZINC000829496477 604462888 /nfs/dbraw/zinc/46/28/88/604462888.db2.gz CPIAGVBGXKHUGM-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000086728382 604524418 /nfs/dbraw/zinc/52/44/18/604524418.db2.gz SWMAYDQTRBXJHC-SNVBAGLBSA-N 0 1 237.299 2.139 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726312 604526251 /nfs/dbraw/zinc/52/62/51/604526251.db2.gz UUPRUWSWOZXALC-YUSALJHKSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726312 604526257 /nfs/dbraw/zinc/52/62/57/604526257.db2.gz UUPRUWSWOZXALC-YUSALJHKSA-N 0 1 249.310 2.452 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000062134425 604542680 /nfs/dbraw/zinc/54/26/80/604542680.db2.gz KVDJAGFYYAABFC-SECBINFHSA-N 0 1 239.340 2.217 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)o1 ZINC000086789736 604542776 /nfs/dbraw/zinc/54/27/76/604542776.db2.gz IHXDVMSVEGKIBF-SCVCMEIPSA-N 0 1 249.310 2.310 20 0 BEADMN CCC(CC)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000083415589 604582940 /nfs/dbraw/zinc/58/29/40/604582940.db2.gz ACYPCFCIMIKNCW-VIFPVBQESA-N 0 1 201.310 2.075 20 0 BEADMN CCc1ccc(C[N@@H+](CC)CCC(=O)[O-])o1 ZINC000083406459 604595286 /nfs/dbraw/zinc/59/52/86/604595286.db2.gz YBGRREGCMWYOSV-UHFFFAOYSA-N 0 1 225.288 2.139 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1C(=O)[O-] ZINC000227489107 604670560 /nfs/dbraw/zinc/67/05/60/604670560.db2.gz BOAIXOSXGSWQCB-KPFVRQRISA-N 0 1 239.359 2.465 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccoc1 ZINC000250195230 604681628 /nfs/dbraw/zinc/68/16/28/604681628.db2.gz XYASOOMEHOHRHG-XQQFMLRXSA-N 0 1 249.310 2.497 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccoc1 ZINC000227228711 604681658 /nfs/dbraw/zinc/68/16/58/604681658.db2.gz XYASOOMEHOHRHG-AGIUHOORSA-N 0 1 249.310 2.497 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816038 604787929 /nfs/dbraw/zinc/78/79/29/604787929.db2.gz IRPAZOXNTMNWKT-OUAUKWLOSA-N 0 1 213.321 2.074 20 0 BEADMN CCOCC[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000158033024 605056948 /nfs/dbraw/zinc/05/69/48/605056948.db2.gz WFHKIWBALZFHNK-SECBINFHSA-N 0 1 241.287 2.007 20 0 BEADMN C/C(=C/C[N@H+](C)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000402615468 605408511 /nfs/dbraw/zinc/40/85/11/605408511.db2.gz WGPLPWRPJANCTH-NXIHDVOMSA-N 0 1 223.316 2.305 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@H](C(C)(C)C)C1)C(=O)[O-] ZINC000228745394 605426879 /nfs/dbraw/zinc/42/68/79/605426879.db2.gz YLAUICQLSVFFMU-VQNWOSHQSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC(=O)[O-] ZINC000309677041 605699375 /nfs/dbraw/zinc/69/93/75/605699375.db2.gz MBYAZCJOTVSNQV-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739057856 605915638 /nfs/dbraw/zinc/91/56/38/605915638.db2.gz JHBPLLIPGPVSBR-JQWIXIFHSA-N 0 1 234.299 2.090 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000738915350 605927241 /nfs/dbraw/zinc/92/72/41/605927241.db2.gz VJCFVWLNQXFKRM-AAEUAGOBSA-N 0 1 248.326 2.132 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CCC(C)(C)C1 ZINC000361174847 992176730 /nfs/dbraw/zinc/17/67/30/992176730.db2.gz HEQDWGURUPRNOR-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])o1 ZINC000299975494 634405345 /nfs/dbraw/zinc/40/53/45/634405345.db2.gz CFSGUABBXYOBKM-CYZMBNFOSA-N 0 1 249.310 2.273 20 0 BEADMN COc1ccc(OC)c(-c2cc([C@@H](C)N)on2)c1 ZINC000124462666 634425798 /nfs/dbraw/zinc/42/57/98/634425798.db2.gz TWEFRVLJXCYMGN-MRVPVSSYSA-N 0 1 248.282 2.379 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000257692773 634466794 /nfs/dbraw/zinc/46/67/94/634466794.db2.gz UUCBRIOPXFKHGT-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN c1nc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c[nH]1 ZINC000931924827 635458518 /nfs/dbraw/zinc/45/85/18/635458518.db2.gz YUKXDQUCLOZCJM-HIFRSBDPSA-N 0 1 239.322 2.183 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccsc1 ZINC000062742850 635463346 /nfs/dbraw/zinc/46/33/46/635463346.db2.gz PLWBJGJYIFWWTJ-UHFFFAOYSA-N 0 1 227.329 2.291 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccco2)C1 ZINC000232785170 635516144 /nfs/dbraw/zinc/51/61/44/635516144.db2.gz QZTDLMYHESKALX-CYBMUJFWSA-N 0 1 237.299 2.212 20 0 BEADMN CCC[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CC1 ZINC000233037197 635525636 /nfs/dbraw/zinc/52/56/36/635525636.db2.gz JFCXIOKLZCQEHI-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN COC(OC)[C@H](C)NCc1cc(C)ccc1F ZINC000234595187 635556044 /nfs/dbraw/zinc/55/60/44/635556044.db2.gz PIRBUSSWUBOCDY-JTQLQIEISA-N 0 1 241.306 2.231 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000924250985 635565907 /nfs/dbraw/zinc/56/59/07/635565907.db2.gz PKQTUPLWODIHNI-KOLCDFICSA-N 0 1 249.314 2.464 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235325715 635574476 /nfs/dbraw/zinc/57/44/76/635574476.db2.gz YHVBLUMCWDVSQE-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1cc2ccccc2s1 ZINC000925870065 635578784 /nfs/dbraw/zinc/57/87/84/635578784.db2.gz UDMOUJOUZQMCKH-ONGXEEELSA-N 0 1 248.351 2.455 20 0 BEADMN COC[C@H]1COCCN1Cc1c(C)cccc1C ZINC000933337244 631281543 /nfs/dbraw/zinc/28/15/43/631281543.db2.gz SOVYONMZIYFDAP-AWEZNQCLSA-N 0 1 249.354 2.151 20 0 BEADMN COC[C@@H](NC/C(Cl)=C\Cl)C1CC1 ZINC000308393565 631310746 /nfs/dbraw/zinc/31/07/46/631310746.db2.gz CETZNXZPOYTUOH-VGANXODHSA-N 0 1 224.131 2.320 20 0 BEADMN CC(C)S(=O)(=O)CCN1[C@@H](C)CCC[C@@H]1C ZINC000178225148 631428685 /nfs/dbraw/zinc/42/86/85/631428685.db2.gz SLRPCTQQTUXJNR-RYUDHWBXSA-N 0 1 247.404 2.073 20 0 BEADMN CCC[C@H](C)C[N@@H+](CCC)CC(=O)[O-] ZINC000051322630 631466466 /nfs/dbraw/zinc/46/64/66/631466466.db2.gz APPOFORCBGGZQH-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN Clc1csc(CNC[C@H]2CCCO2)n1 ZINC000308725259 631554478 /nfs/dbraw/zinc/55/44/78/631554478.db2.gz GCCMZLCKWWLETP-SSDOTTSWSA-N 0 1 232.736 2.065 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000308740876 631558825 /nfs/dbraw/zinc/55/88/25/631558825.db2.gz AOJWHTOZBFKGOG-JKWVPGAPSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762211 631580877 /nfs/dbraw/zinc/58/08/77/631580877.db2.gz WUIFKEHFKIAICZ-VIFPVBQESA-N 0 1 234.299 2.010 20 0 BEADMN COc1ccc(CN2CC[C@H](C)[C@H](OC)C2)o1 ZINC000893900756 635636228 /nfs/dbraw/zinc/63/62/28/635636228.db2.gz PVBAQSQADNBHCE-CMPLNLGQSA-N 0 1 239.315 2.145 20 0 BEADMN C[C@@H](N[C@@H](CCO)C1CCCC1)c1ncccn1 ZINC000934013319 631589431 /nfs/dbraw/zinc/58/94/31/631589431.db2.gz APEZYTANKHITBY-YPMHNXCESA-N 0 1 249.358 2.068 20 0 BEADMN CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]1CO ZINC000934025202 631602442 /nfs/dbraw/zinc/60/24/42/631602442.db2.gz ZOCHHFUOIAKGCV-QWHCGFSZSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H](c1ccccc1Cl)N1CC[C@H]1CO ZINC000934025211 631602530 /nfs/dbraw/zinc/60/25/30/631602530.db2.gz CEFLWFIGYLTPEX-UWVGGRQHSA-N 0 1 225.719 2.468 20 0 BEADMN OC[C@H]1CCN1C/C=C\c1ccc(Cl)cc1 ZINC000934015307 631606760 /nfs/dbraw/zinc/60/67/60/631606760.db2.gz WGCRFASAAPSDJK-UIIMQBOASA-N 0 1 237.730 2.420 20 0 BEADMN CC(=O)CC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000178705515 635659922 /nfs/dbraw/zinc/65/99/22/635659922.db2.gz KIHROXMCSHTJFE-LLVKDONJSA-N 0 1 217.312 2.412 20 0 BEADMN CCc1nc(C(C)C)ccc1CN1CC[C@H]1CO ZINC000934020097 631621784 /nfs/dbraw/zinc/62/17/84/631621784.db2.gz VXCZJCIZMIBRAN-ZDUSSCGKSA-N 0 1 248.370 2.334 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cncc(Cl)c1 ZINC000934107694 631675885 /nfs/dbraw/zinc/67/58/85/631675885.db2.gz XTOBVOFTDGTYHS-RYUDHWBXSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cc(C)cc(C)n1 ZINC000934112318 631687720 /nfs/dbraw/zinc/68/77/20/631687720.db2.gz YCHICPILTXBUHK-KGLIPLIRSA-N 0 1 234.343 2.308 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)NC(C)(C)C(F)F ZINC000308882701 631717347 /nfs/dbraw/zinc/71/73/47/631717347.db2.gz UVPNWGYZMCKKEZ-BDAKNGLRSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1ccc(CCN(C)Cc2nnc[nH]2)cc1C ZINC000892072518 631720174 /nfs/dbraw/zinc/72/01/74/631720174.db2.gz BCOOSSDXRYNARY-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H](C)Cc2cccnc2)o1 ZINC000934232486 631738656 /nfs/dbraw/zinc/73/86/56/631738656.db2.gz ADCXEPIFVAKTIQ-VHSXEESVSA-N 0 1 246.314 2.055 20 0 BEADMN OC[C@@H](NC/C=C\Cl)c1cccc(F)c1 ZINC000308937336 631743316 /nfs/dbraw/zinc/74/33/16/631743316.db2.gz OQWBJFKPJUUAAZ-SRMRHOMVSA-N 0 1 229.682 2.201 20 0 BEADMN Cc1c[nH]nc1CN1CCCSC[C@@H]1C ZINC000934296672 631761490 /nfs/dbraw/zinc/76/14/90/631761490.db2.gz NHTLJMHKJWNBII-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN CCCCOC(=O)CN(C)[C@H](C)CC ZINC000043447843 631792940 /nfs/dbraw/zinc/79/29/40/631792940.db2.gz WFWFGXVOZYMHFO-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CCCOC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000043559784 631807322 /nfs/dbraw/zinc/80/73/22/631807322.db2.gz PGCGXVNLVCTJHP-DCAQKATOSA-N 0 1 213.321 2.201 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCC[C@@H]1C ZINC000158271736 631846265 /nfs/dbraw/zinc/84/62/65/631846265.db2.gz WVNIZCXGAREHJS-QWRGUYRKSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1ccncc1CN1CCOC[C@@]1(C)C1CC1 ZINC000934476572 631871664 /nfs/dbraw/zinc/87/16/64/631871664.db2.gz BNRWULUUTMCROO-HNNXBMFYSA-N 0 1 246.354 2.391 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000049750735 631912500 /nfs/dbraw/zinc/91/25/00/631912500.db2.gz PUYDSFQVTIQUOF-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H](c1ccccc1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000934578009 631950019 /nfs/dbraw/zinc/95/00/19/631950019.db2.gz YRORQBGYDXEBIR-KGYLQXTDSA-N 0 1 223.291 2.152 20 0 BEADMN CCn1ccnc1CN[C@@H](C)Cc1ccco1 ZINC000051922155 632012319 /nfs/dbraw/zinc/01/23/19/632012319.db2.gz KJNOKVUOJKDAOY-NSHDSACASA-N 0 1 233.315 2.217 20 0 BEADMN CCC(N)=NOCCOc1c(C)cccc1C ZINC000077409627 632024739 /nfs/dbraw/zinc/02/47/39/632024739.db2.gz QNYOPBMGSQLBGU-UHFFFAOYSA-N 0 1 236.315 2.381 20 0 BEADMN CC[C@H](NCc1ccoc1)[C@@H](O)C(F)(F)F ZINC000309413279 632048564 /nfs/dbraw/zinc/04/85/64/632048564.db2.gz CDLISFMVAONYJF-DTWKUNHWSA-N 0 1 237.221 2.071 20 0 BEADMN C[C@H]1COC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000926467436 632095605 /nfs/dbraw/zinc/09/56/05/632095605.db2.gz RNLOKEWRUIDNMR-GWCFXTLKSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccnnc2)ccn1 ZINC000926501998 632396951 /nfs/dbraw/zinc/39/69/51/632396951.db2.gz BNJSOCBRBHYMPM-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN Cc1csc(CN[C@@H](C)c2cnnn2C)c1 ZINC000926519478 632425840 /nfs/dbraw/zinc/42/58/40/632425840.db2.gz MPORNOJZNGQMOA-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN CS[C@@H]1CCC[C@@H](NCc2nonc2C)C1 ZINC000235170858 632426755 /nfs/dbraw/zinc/42/67/55/632426755.db2.gz VJNANYOYAVYAEH-NXEZZACHSA-N 0 1 241.360 2.142 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000158016110 632456398 /nfs/dbraw/zinc/45/63/98/632456398.db2.gz VNODEHVQKMWPEM-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN CCC[N@@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000169122564 632520693 /nfs/dbraw/zinc/52/06/93/632520693.db2.gz REYBOHZXJXXLOZ-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN OC[C@H](NC/C=C\Cl)c1cccc(F)c1 ZINC000308937340 632531275 /nfs/dbraw/zinc/53/12/75/632531275.db2.gz OQWBJFKPJUUAAZ-SROOVFNMSA-N 0 1 229.682 2.201 20 0 BEADMN C[C@H](NCc1ccsc1)c1cnn(C)c1 ZINC000063152577 632535901 /nfs/dbraw/zinc/53/59/01/632535901.db2.gz NBXHQQLXYDYUBK-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1nonc1CN[C@H]1CC[C@H]1C1CCC1 ZINC000309632611 632593660 /nfs/dbraw/zinc/59/36/60/632593660.db2.gz LAPFHTYQYANNLK-QWRGUYRKSA-N 0 1 221.304 2.046 20 0 BEADMN COC(=O)[C@@H](NC[Si](C)(C)C)C(C)(C)C ZINC000308967690 632597121 /nfs/dbraw/zinc/59/71/21/632597121.db2.gz WYSRSSLUKOVPTN-SECBINFHSA-N 0 1 231.412 2.041 20 0 BEADMN Cc1nonc1CNC[C@H](C)CC(C)C ZINC000308979115 632603777 /nfs/dbraw/zinc/60/37/77/632603777.db2.gz HNHPAUOYTIYQRB-SECBINFHSA-N 0 1 211.309 2.150 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000235294457 632613939 /nfs/dbraw/zinc/61/39/39/632613939.db2.gz PCBNCMDGSADHGF-GMTAPVOTSA-N 0 1 225.332 2.360 20 0 BEADMN Cc1nonc1CN[C@H](C)CCC(F)(F)F ZINC000309659695 632625046 /nfs/dbraw/zinc/62/50/46/632625046.db2.gz BDZFRTYUXLGJJA-ZCFIWIBFSA-N 0 1 237.225 2.199 20 0 BEADMN C[C@@H](NCCOC1CCC1)c1nccs1 ZINC000309126168 632642008 /nfs/dbraw/zinc/64/20/08/632642008.db2.gz PPSNUDUYGGQXOH-SECBINFHSA-N 0 1 226.345 2.363 20 0 BEADMN c1cc(CN[C@@H]2CCCc3n[nH]cc32)co1 ZINC000309687571 632652295 /nfs/dbraw/zinc/65/22/95/632652295.db2.gz OPQKGCNOEQNFSU-LLVKDONJSA-N 0 1 217.272 2.170 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235336772 632674125 /nfs/dbraw/zinc/67/41/25/632674125.db2.gz VHMGHVXEUZAWOO-NXEZZACHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H](N[C@H](C)c1ccccc1)c1cnnn1C ZINC000924540759 632786351 /nfs/dbraw/zinc/78/63/51/632786351.db2.gz GOHPCYHNDMBTKO-GHMZBOCLSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235669413 632812863 /nfs/dbraw/zinc/81/28/63/632812863.db2.gz NHPNOZZQBAESKE-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN COc1cc([C@H](C)NCCc2ccco2)on1 ZINC000924555962 632831855 /nfs/dbraw/zinc/83/18/55/632831855.db2.gz PRSXVABVHXNSCH-VIFPVBQESA-N 0 1 236.271 2.170 20 0 BEADMN Cl/C=C/CNCc1cccc2c1OCO2 ZINC000236014571 632863279 /nfs/dbraw/zinc/86/32/79/632863279.db2.gz AKRDIUYUHWMFKQ-GORDUTHDSA-N 0 1 225.675 2.257 20 0 BEADMN CCCSC[C@@H](C)NCc1cc[nH]n1 ZINC000892515344 632868382 /nfs/dbraw/zinc/86/83/82/632868382.db2.gz NOORBAXCCQLGIT-SECBINFHSA-N 0 1 213.350 2.031 20 0 BEADMN C[C@H](N[C@H]1CCc2cccnc21)c1cnn(C)c1 ZINC000310699485 632889726 /nfs/dbraw/zinc/88/97/26/632889726.db2.gz XPWXIWIRWQPATB-GWCFXTLKSA-N 0 1 242.326 2.153 20 0 BEADMN CC(=O)Oc1ccc(CSc2cn[nH]n2)cc1 ZINC000177965194 632914611 /nfs/dbraw/zinc/91/46/11/632914611.db2.gz MJWHRCOLWASVSH-UHFFFAOYSA-N 0 1 249.295 2.022 20 0 BEADMN CC(C)(NCC[C@H]1CCOC1)C(F)F ZINC000393680044 632981069 /nfs/dbraw/zinc/98/10/69/632981069.db2.gz WLZZJQHBNSJYGL-QMMMGPOBSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1nnc([C@@H](C)NCCCCCCO)s1 ZINC000309375676 632990284 /nfs/dbraw/zinc/99/02/84/632990284.db2.gz COPLCSMPERHLBF-SECBINFHSA-N 0 1 243.376 2.050 20 0 BEADMN C[C@H]1CCCN1CCNc1ncncc1Cl ZINC000309417832 633040117 /nfs/dbraw/zinc/04/01/17/633040117.db2.gz JLJVCYCKHAPXQR-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC000840576039 633044684 /nfs/dbraw/zinc/04/46/84/633044684.db2.gz DLERTSJCPVACHU-PHDIDXHHSA-N 0 1 247.245 2.009 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC000840576045 633045151 /nfs/dbraw/zinc/04/51/51/633045151.db2.gz DLERTSJCPVACHU-WDSKDSINSA-N 0 1 247.245 2.009 20 0 BEADMN O[C@H](CNCc1ccc(Cl)o1)c1ccco1 ZINC000163626978 633060922 /nfs/dbraw/zinc/06/09/22/633060922.db2.gz WEUKELOOYRYMOV-SECBINFHSA-N 0 1 241.674 2.349 20 0 BEADMN C[C@@H](NCC(C)(C)C(C)(F)F)c1cnn(C)n1 ZINC000926798423 633082158 /nfs/dbraw/zinc/08/21/58/633082158.db2.gz ADFLQASITNBPJQ-MRVPVSSYSA-N 0 1 246.305 2.147 20 0 BEADMN Cc1occc1-c1noc(CNCC2CC2)n1 ZINC000165587595 633095196 /nfs/dbraw/zinc/09/51/96/633095196.db2.gz FKOMTVXXZQVRBP-UHFFFAOYSA-N 0 1 233.271 2.138 20 0 BEADMN C[C@]1(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CCCS1 ZINC000327864848 633129479 /nfs/dbraw/zinc/12/94/79/633129479.db2.gz ITSLEJWEWBMEIL-CMPLNLGQSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@]1(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CCCS1 ZINC000327864851 633129508 /nfs/dbraw/zinc/12/95/08/633129508.db2.gz ITSLEJWEWBMEIL-ZYHUDNBSSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@]1(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CCCS1 ZINC000327864850 633129889 /nfs/dbraw/zinc/12/98/89/633129889.db2.gz ITSLEJWEWBMEIL-PWSUYJOCSA-N 0 1 243.372 2.069 20 0 BEADMN Fc1cccnc1CNC[C@@H]1CCC=CO1 ZINC000309475502 633136288 /nfs/dbraw/zinc/13/62/88/633136288.db2.gz BVDUXIJBSAXSCA-JTQLQIEISA-N 0 1 222.263 2.003 20 0 BEADMN Cc1nc(C)c(CNC[C@@H](O)c2ccccc2)o1 ZINC000311799222 633164454 /nfs/dbraw/zinc/16/44/54/633164454.db2.gz SZDGIHHCNHEGOG-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1ncoc1CNCCSC(C)C ZINC000894760082 635921022 /nfs/dbraw/zinc/92/10/22/635921022.db2.gz HNBADMXGFHPRTQ-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN C[C@@H](NCC1(CC2CC2)CC1)c1cnn(C)n1 ZINC000926841975 633215175 /nfs/dbraw/zinc/21/51/75/633215175.db2.gz PEOGMGKOISPNJN-SNVBAGLBSA-N 0 1 234.347 2.046 20 0 BEADMN C[C@@H](NCCC1CCCC1)c1cc(CO)on1 ZINC000924605534 633229376 /nfs/dbraw/zinc/22/93/76/633229376.db2.gz WGCPBEAVONSKOD-SNVBAGLBSA-N 0 1 238.331 2.398 20 0 BEADMN C/C=C/CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000306794025 635974956 /nfs/dbraw/zinc/97/49/56/635974956.db2.gz HGDGZDSJDXIDTN-ONEGZZNKSA-N 0 1 206.245 2.076 20 0 BEADMN CC[C@@](C)(CN1CC(C(F)(F)F)C1)OC ZINC000894891178 635998974 /nfs/dbraw/zinc/99/89/74/635998974.db2.gz UAGLWCFCWLOCQD-VIFPVBQESA-N 0 1 225.254 2.296 20 0 BEADMN COc1cc([C@@H](C)N[C@@H](C)CSC)on1 ZINC000925095070 636001243 /nfs/dbraw/zinc/00/12/43/636001243.db2.gz IMAMUHROSIJXQE-JGVFFNPUSA-N 0 1 230.333 2.085 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CCCCC(C)(C)C ZINC000928554768 636091263 /nfs/dbraw/zinc/09/12/63/636091263.db2.gz JHESSYQJCCKVRX-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](Nc1cc(C(C)(C)C)cc[nH+]1)C(=O)[O-] ZINC000212512932 636097521 /nfs/dbraw/zinc/09/75/21/636097521.db2.gz GJJYTUWIVHEEMQ-MRVPVSSYSA-N 0 1 222.288 2.264 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)NC[C@@H]1CCN1C ZINC000928560824 636105441 /nfs/dbraw/zinc/10/54/41/636105441.db2.gz WHQMZGKREWKWJX-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN COCCN(CC(C)C)Cn1cc(Cl)cn1 ZINC000126926946 636108159 /nfs/dbraw/zinc/10/81/59/636108159.db2.gz FNOHVRQVOBJVND-UHFFFAOYSA-N 0 1 245.754 2.098 20 0 BEADMN C[C@H](CC(=O)NC[C@@H]1CCN1C)CC(C)(C)C ZINC000928561982 636108646 /nfs/dbraw/zinc/10/86/46/636108646.db2.gz BSPOHDFLFAHXDU-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@H]1CNC(=O)C1CCCCCCC1 ZINC000928562032 636109147 /nfs/dbraw/zinc/10/91/47/636109147.db2.gz CGZJEIIKJGQKKP-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCCc1ccc(C(=O)NC[C@@H]2CCN2C)cc1 ZINC000928562248 636109398 /nfs/dbraw/zinc/10/93/98/636109398.db2.gz CHIAVNBNKJUUPE-AWEZNQCLSA-N 0 1 246.354 2.073 20 0 BEADMN CC(C)CCCCCC(=O)NC[C@H]1CCN1C ZINC000928562769 636110422 /nfs/dbraw/zinc/11/04/22/636110422.db2.gz HWSWSFYBYKDIDX-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H]1CCN1C ZINC000928571373 636118068 /nfs/dbraw/zinc/11/80/68/636118068.db2.gz MVHGIUAJPHZYDV-DYEKYZERSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1noc2c1CCCC2 ZINC000309782310 633735026 /nfs/dbraw/zinc/73/50/26/633735026.db2.gz NEACBGKRRHDCRQ-KOLCDFICSA-N 0 1 220.316 2.442 20 0 BEADMN C=Cn1cc(CN[C@@H](C)c2ccc[nH]2)cn1 ZINC000309828573 633788331 /nfs/dbraw/zinc/78/83/31/633788331.db2.gz XWHXHPZOLOQTQJ-JTQLQIEISA-N 0 1 216.288 2.163 20 0 BEADMN CSC1CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC000926894227 633819244 /nfs/dbraw/zinc/81/92/44/633819244.db2.gz LSLYCTJFMXFHMM-HTAVTVPLSA-N 0 1 249.383 2.411 20 0 BEADMN COc1cc([C@@H](C)N[C@H](C)C(C)(C)OC)on1 ZINC000926894769 633819384 /nfs/dbraw/zinc/81/93/84/633819384.db2.gz QFVAIAYQVHPFEF-RKDXNWHRSA-N 0 1 242.319 2.147 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1c1nc(C)cc(N)n1 ZINC000893093653 633828308 /nfs/dbraw/zinc/82/83/08/633828308.db2.gz ZBTSCTATIZIMGC-VHSXEESVSA-N 0 1 220.320 2.135 20 0 BEADMN Cc1ccc(CNCCOC2CCC2)o1 ZINC000309170182 633852986 /nfs/dbraw/zinc/85/29/86/633852986.db2.gz LBSCBFVYZFMVLT-UHFFFAOYSA-N 0 1 209.289 2.247 20 0 BEADMN CC(C)(C)OCC(=O)Nc1cc(C#N)ccc1O ZINC000182446427 633945308 /nfs/dbraw/zinc/94/53/08/633945308.db2.gz JFHQMPSWHWSRFE-UHFFFAOYSA-N 0 1 248.282 2.017 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000309552108 633951108 /nfs/dbraw/zinc/95/11/08/633951108.db2.gz IORUWMDMMXORGC-HTRCEHHLSA-N 0 1 233.237 2.328 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ncccn2)C1(C)C ZINC000930633656 633961091 /nfs/dbraw/zinc/96/10/91/633961091.db2.gz RHFMGMOHZPXUCP-WISYIIOYSA-N 0 1 249.358 2.187 20 0 BEADMN CC(C)n1cncc1C[N@H+]1CC[C@H](CF)C1 ZINC000895569078 636160216 /nfs/dbraw/zinc/16/02/16/636160216.db2.gz RYQXPCBZYDWMQB-LLVKDONJSA-N 0 1 225.311 2.255 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@@H]1C1CCC1 ZINC000930818948 634115388 /nfs/dbraw/zinc/11/53/88/634115388.db2.gz BBICUMAJEFABGY-NFEOESJKSA-N 0 1 239.359 2.080 20 0 BEADMN CCN(CCSC)Cc1cc(C)nnc1C ZINC000930824956 634119113 /nfs/dbraw/zinc/11/91/13/634119113.db2.gz HYCZJTDVUMBNBR-UHFFFAOYSA-N 0 1 239.388 2.278 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N(CC)CCSC ZINC000930824156 634123040 /nfs/dbraw/zinc/12/30/40/634123040.db2.gz AORCAPXGASSXEQ-GHMZBOCLSA-N 0 1 247.404 2.259 20 0 BEADMN CCCCOC(=O)CN(C)[C@@H](C)C1CC1 ZINC000053674335 634299037 /nfs/dbraw/zinc/29/90/37/634299037.db2.gz USUXTFPCEYFGCM-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCCCN1CCN(C(=O)C(C)(C)CC)CC1 ZINC000949971385 634265468 /nfs/dbraw/zinc/26/54/68/634265468.db2.gz STPVECJFVTXDAL-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCN(CC(C)C)CN1CCSC1=O ZINC000193397689 634278913 /nfs/dbraw/zinc/27/89/13/634278913.db2.gz HKAOQYHAFCIVNR-UHFFFAOYSA-N 0 1 216.350 2.091 20 0 BEADMN CN(CCC1CC1)Cn1cc(Cl)cn1 ZINC000162875787 635146917 /nfs/dbraw/zinc/14/69/17/635146917.db2.gz YMSQLTHAMALJHG-UHFFFAOYSA-N 0 1 213.712 2.226 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)OC1CCCC1 ZINC000220756190 635276550 /nfs/dbraw/zinc/27/65/50/635276550.db2.gz NCBXSBGSIDQGPU-GFCCVEGCSA-N 0 1 225.332 2.345 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC1CCCC1 ZINC000220756190 635276552 /nfs/dbraw/zinc/27/65/52/635276552.db2.gz NCBXSBGSIDQGPU-GFCCVEGCSA-N 0 1 225.332 2.345 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(F)ccc2C)no1 ZINC000054053370 635340015 /nfs/dbraw/zinc/34/00/15/635340015.db2.gz AYBVUWQMTUIBDK-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CC(C)[C@H]1C[C@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870318 635582555 /nfs/dbraw/zinc/58/25/55/635582555.db2.gz WAQHHRICFYRDIK-GLQYFDAESA-N 0 1 246.354 2.364 20 0 BEADMN CC(C)[C@@H]1C[C@@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870320 635582645 /nfs/dbraw/zinc/58/26/45/635582645.db2.gz WAQHHRICFYRDIK-TUKIKUTGSA-N 0 1 246.354 2.364 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1ccc(Cl)c(F)c1 ZINC000925870767 635582672 /nfs/dbraw/zinc/58/26/72/635582672.db2.gz IRVUQSFFLSGFLR-CBAPKCEASA-N 0 1 244.697 2.033 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCCOC2)sc1C ZINC000235941835 635590871 /nfs/dbraw/zinc/59/08/71/635590871.db2.gz YIAOCHONFUEAKY-LBPRGKRZSA-N 0 1 240.372 2.419 20 0 BEADMN CCOCc1ccc(CNCc2c[nH]cn2)cc1 ZINC000894171057 635738017 /nfs/dbraw/zinc/73/80/17/635738017.db2.gz DHDIOPXVKXJGDJ-UHFFFAOYSA-N 0 1 245.326 2.236 20 0 BEADMN FCCCCNCc1nnc(C2CC2)s1 ZINC000894563112 635909301 /nfs/dbraw/zinc/90/93/01/635909301.db2.gz BDMOMCCQUPDCFI-UHFFFAOYSA-N 0 1 229.324 2.255 20 0 BEADMN FC(F)(F)C1CN(C[C@H]2CCSC2)C1 ZINC000894891331 635999480 /nfs/dbraw/zinc/99/94/80/635999480.db2.gz ATOJQRNJCMVZMX-SSDOTTSWSA-N 0 1 225.279 2.234 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1[nH]ncc1F ZINC000909566666 636255631 /nfs/dbraw/zinc/25/56/31/636255631.db2.gz JOKOEEYQMQXKGO-PRHODGIISA-N 0 1 239.294 2.247 20 0 BEADMN CC(C)n1cc(CN[C@@H](C)Cc2ccco2)nn1 ZINC000310630722 636266931 /nfs/dbraw/zinc/26/69/31/636266931.db2.gz MPTYQRUXRVMPOR-NSHDSACASA-N 0 1 248.330 2.173 20 0 BEADMN C[C@@H](NCC1(CCO)CCCC1)c1ncco1 ZINC000925187816 636364563 /nfs/dbraw/zinc/36/45/63/636364563.db2.gz FXWGECPOFFPODG-LLVKDONJSA-N 0 1 238.331 2.268 20 0 BEADMN C[C@@H]1C[C@H](NCCCC(F)(F)F)c2ncnn21 ZINC000925191794 636369113 /nfs/dbraw/zinc/36/91/13/636369113.db2.gz RYISTLKQEJYXKS-SFYZADRCSA-N 0 1 248.252 2.216 20 0 BEADMN CSC(C)(C)CN[C@H]1C[C@H](C)n2ncnc21 ZINC000925193153 636370472 /nfs/dbraw/zinc/37/04/72/636370472.db2.gz ZXERFDYPNZWAOT-IUCAKERBSA-N 0 1 240.376 2.015 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H](C)c1ccncc1 ZINC000925227397 636431386 /nfs/dbraw/zinc/43/13/86/636431386.db2.gz ZEQBZKPQMZVARV-NXEZZACHSA-N 0 1 246.314 2.227 20 0 BEADMN CC(C)(C)CCNCc1noc2c1COCC2 ZINC000897366464 636494104 /nfs/dbraw/zinc/49/41/04/636494104.db2.gz LOHBMWZBUAUYON-UHFFFAOYSA-N 0 1 238.331 2.273 20 0 BEADMN CC[C@@H]1CC[C@H]1NCc1noc2c1COCC2 ZINC000897366705 636495826 /nfs/dbraw/zinc/49/58/26/636495826.db2.gz ORVVFPZBFXDDHK-MWLCHTKSSA-N 0 1 236.315 2.026 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)CCCO ZINC000925256757 636533390 /nfs/dbraw/zinc/53/33/90/636533390.db2.gz IMPKCHJJLHQBOD-ONGXEEELSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@H]1C ZINC000752075508 636546925 /nfs/dbraw/zinc/54/69/25/636546925.db2.gz KMKBGFCLMPDHQC-CHWSQXEVSA-N 0 1 247.338 2.318 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000321580080 636654474 /nfs/dbraw/zinc/65/44/74/636654474.db2.gz OHKJJXYZUMHLLE-AVGNSLFASA-N 0 1 249.310 2.273 20 0 BEADMN Cc1ncoc1CNC[C@H]1CC[C@H](C2CC2)O1 ZINC000897503855 636728885 /nfs/dbraw/zinc/72/88/85/636728885.db2.gz RYMIIZDXLVSWHV-VXGBXAGGSA-N 0 1 236.315 2.030 20 0 BEADMN CC1(C)CN(CCCc2cccnc2)CCO1 ZINC000929118817 636811090 /nfs/dbraw/zinc/81/10/90/636811090.db2.gz SRYAHGVATIOIRU-UHFFFAOYSA-N 0 1 234.343 2.125 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCCC1(C)CC1 ZINC000897614972 636825639 /nfs/dbraw/zinc/82/56/39/636825639.db2.gz NJQLXPQVOWHPMQ-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CCCCNC(=O)c1cc(F)cc(F)c1O ZINC000929148415 636839437 /nfs/dbraw/zinc/83/94/37/636839437.db2.gz DDFDXJXTKSGEDJ-UHFFFAOYSA-N 0 1 229.226 2.200 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC000897887406 636843514 /nfs/dbraw/zinc/84/35/14/636843514.db2.gz JHHFZLLSIGJBFZ-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NCc1cc[nH]c1)c1cncs1 ZINC000897933903 636847292 /nfs/dbraw/zinc/84/72/92/636847292.db2.gz BFONMCBTWMPJGE-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1occc1-c1nc([C@@H](N)C(C)C)no1 ZINC000041052648 636958644 /nfs/dbraw/zinc/95/86/44/636958644.db2.gz YYCCIIGXNQWHPM-VIFPVBQESA-N 0 1 221.260 2.294 20 0 BEADMN CCCCN(CC)CN1CCSC1=O ZINC000192769629 636959523 /nfs/dbraw/zinc/95/95/23/636959523.db2.gz WZBLEXSGLSHEEZ-UHFFFAOYSA-N 0 1 216.350 2.235 20 0 BEADMN Cc1ccoc1-c1nc([C@@H](N)C(C)C)no1 ZINC000041052598 636960694 /nfs/dbraw/zinc/96/06/94/636960694.db2.gz GYWFUJIWRXVULM-QMMMGPOBSA-N 0 1 221.260 2.294 20 0 BEADMN CC(C)=CCOC(=O)[C@@H]1CCCN1C(C)C ZINC000923888728 636966635 /nfs/dbraw/zinc/96/66/35/636966635.db2.gz NMWVRXJMVYWELB-LBPRGKRZSA-N 0 1 225.332 2.369 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CCCC2)nc(C)n1 ZINC000041574216 637010618 /nfs/dbraw/zinc/01/06/18/637010618.db2.gz JHTYRJHMTCGHOB-LBPRGKRZSA-N 0 1 243.310 2.460 20 0 BEADMN CCOCCCCN[C@@H](C)c1ncco1 ZINC000924710051 637019423 /nfs/dbraw/zinc/01/94/23/637019423.db2.gz GNWAZCZOYOXHJX-JTQLQIEISA-N 0 1 212.293 2.142 20 0 BEADMN c1coc(CNCCOC2CCSCC2)c1 ZINC000898441576 637041823 /nfs/dbraw/zinc/04/18/23/637041823.db2.gz AIQFEDQNUDIKAO-UHFFFAOYSA-N 0 1 241.356 2.281 20 0 BEADMN Cc1ccccc1-n1cc([C@H]2CCCCN2)nn1 ZINC000899705966 637127442 /nfs/dbraw/zinc/12/74/42/637127442.db2.gz LXUFVLMKVJUGNU-GFCCVEGCSA-N 0 1 242.326 2.390 20 0 BEADMN CC1(CNC(=O)Cc2cnc[nH]2)CCCCC1 ZINC000901022944 637226122 /nfs/dbraw/zinc/22/61/22/637226122.db2.gz GHSKPTHDRKTPNW-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000901029261 637229222 /nfs/dbraw/zinc/22/92/22/637229222.db2.gz MKOBYWKLXNZHIG-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)[O-])c1cc(F)cc(F)c1 ZINC000901574361 637268205 /nfs/dbraw/zinc/26/82/05/637268205.db2.gz DVWAPBGISWYFIA-QMMMGPOBSA-N 0 1 243.253 2.085 20 0 BEADMN COC[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000042518192 637277291 /nfs/dbraw/zinc/27/72/91/637277291.db2.gz CKMCPRLFVGWMDL-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN COC[C@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000042518192 637277296 /nfs/dbraw/zinc/27/72/96/637277296.db2.gz CKMCPRLFVGWMDL-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN CNc1ccccc1CN[C@H](C)c1cnn(C)c1 ZINC000902267099 637288546 /nfs/dbraw/zinc/28/85/46/637288546.db2.gz CHEYNCPOMKBUDY-LLVKDONJSA-N 0 1 244.342 2.313 20 0 BEADMN Cc1csc([C@@H](C)NCC[C@@H](O)C2CC2)n1 ZINC000903412541 637358613 /nfs/dbraw/zinc/35/86/13/637358613.db2.gz UNYNCKXDAIVYTM-MWLCHTKSSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1sc(CN)nc1-c1nc(C(C)C)no1 ZINC000904516111 637429056 /nfs/dbraw/zinc/42/90/56/637429056.db2.gz WOOUIURUIUOIBV-UHFFFAOYSA-N 0 1 238.316 2.084 20 0 BEADMN C[C@H]1C[C@H]1c1noc(-c2cccc3[nH]nnc32)n1 ZINC000904816655 637481765 /nfs/dbraw/zinc/48/17/65/637481765.db2.gz ANGJVXPOZJUNOC-POYBYMJQSA-N 0 1 241.254 2.131 20 0 BEADMN C[C@@H]1C[C@H]1c1noc(-c2cccc3[nH]nnc32)n1 ZINC000904816654 637482591 /nfs/dbraw/zinc/48/25/91/637482591.db2.gz ANGJVXPOZJUNOC-HTRCEHHLSA-N 0 1 241.254 2.131 20 0 BEADMN CCc1nc[nH]c1C(=O)N1CCc2ccccc21 ZINC000905062017 637595055 /nfs/dbraw/zinc/59/50/55/637595055.db2.gz MCIPCLGFQBAJMO-UHFFFAOYSA-N 0 1 241.294 2.175 20 0 BEADMN CC1(C)CCC([S@](=O)Cc2c[nH]nn2)CC1 ZINC000905171013 637681857 /nfs/dbraw/zinc/68/18/57/637681857.db2.gz VPNOOFSEJUGRDH-MRXNPFEDSA-N 0 1 241.360 2.022 20 0 BEADMN CCC[C@@H](CC)S(=O)(=O)Cc1[nH]ncc1C ZINC000905251111 637710530 /nfs/dbraw/zinc/71/05/30/637710530.db2.gz AANPTIANTXTBPC-SNVBAGLBSA-N 0 1 244.360 2.212 20 0 BEADMN Cc1coc(CNc2nc(C)cc(N(C)C)n2)c1 ZINC000905412048 637799842 /nfs/dbraw/zinc/79/98/42/637799842.db2.gz BKHXAALQOWTSQB-UHFFFAOYSA-N 0 1 246.314 2.365 20 0 BEADMN C[C@@H]1CCCCN1CC[S@](=O)C(F)(F)F ZINC000905874875 637958981 /nfs/dbraw/zinc/95/89/81/637958981.db2.gz OCRFEKJVJMSMOP-GLEZIHRCSA-N 0 1 243.294 2.129 20 0 BEADMN CC[C@@H](C)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905791476 637931793 /nfs/dbraw/zinc/93/17/93/637931793.db2.gz DSHTVLGNGMCWKW-SNVBAGLBSA-N 0 1 224.352 2.479 20 0 BEADMN Cc1cccc([C@@H](O)CN2CCSCC2)c1 ZINC000905909248 637972764 /nfs/dbraw/zinc/97/27/64/637972764.db2.gz MEQZFBMXKJXJPE-ZDUSSCGKSA-N 0 1 237.368 2.077 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@]23C[C@@H]2CCCC3)c1C ZINC000927445345 638052882 /nfs/dbraw/zinc/05/28/82/638052882.db2.gz UTYZRJRCCMGWEA-SMDDNHRTSA-N 0 1 247.342 2.337 20 0 BEADMN Cc1cc[nH+]c(NC2CC(CC(=O)[O-])C2)c1 ZINC000906152833 638078263 /nfs/dbraw/zinc/07/82/63/638078263.db2.gz YRBIVSVXJXIGFD-UHFFFAOYSA-N 0 1 220.272 2.055 20 0 BEADMN C[C@H](C1CC1)N(Cc1cn(C2CC2)nn1)C1CC1 ZINC000906254049 638119640 /nfs/dbraw/zinc/11/96/40/638119640.db2.gz KHMKMFGKQKRUFN-SNVBAGLBSA-N 0 1 246.358 2.376 20 0 BEADMN c1c(CN2CCCCCCC2)nnn1C1CC1 ZINC000906255154 638119919 /nfs/dbraw/zinc/11/99/19/638119919.db2.gz ISAMCHITYAHJRQ-UHFFFAOYSA-N 0 1 234.347 2.379 20 0 BEADMN CCN(Cc1cn(C2CC2)nn1)[C@@H](C)C(C)C ZINC000906261647 638128419 /nfs/dbraw/zinc/12/84/19/638128419.db2.gz LWHSTSBYIXFDET-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN c1c(CN2CCC[C@@H]2C2CCC2)nnn1C1CC1 ZINC000906263780 638129078 /nfs/dbraw/zinc/12/90/78/638129078.db2.gz NPYJNYHBWIXHNP-CQSZACIVSA-N 0 1 246.358 2.378 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906287620 638131726 /nfs/dbraw/zinc/13/17/26/638131726.db2.gz RZNOPBITXGYQQN-CMPLNLGQSA-N 0 1 234.347 2.376 20 0 BEADMN c1c(CN2CCC[C@@H]3CCC[C@@H]32)nnn1C1CC1 ZINC000906269068 638131811 /nfs/dbraw/zinc/13/18/11/638131811.db2.gz DNYJBTXWVMVQIX-FZMZJTMJSA-N 0 1 246.358 2.378 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906287622 638133250 /nfs/dbraw/zinc/13/32/50/638133250.db2.gz RZNOPBITXGYQQN-PWSUYJOCSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1Cc1cn(C2CC2)nn1 ZINC000906292445 638134638 /nfs/dbraw/zinc/13/46/38/638134638.db2.gz HODHYWPAVHFDTB-LLVKDONJSA-N 0 1 246.358 2.378 20 0 BEADMN c1c(CN2CCC3(CCC3)CC2)nnn1C1CC1 ZINC000906302253 638136345 /nfs/dbraw/zinc/13/63/45/638136345.db2.gz HOGBUCWEOLMIHJ-UHFFFAOYSA-N 0 1 246.358 2.379 20 0 BEADMN CCCN(C)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000906447429 638168206 /nfs/dbraw/zinc/16/82/06/638168206.db2.gz KPPYQOWPVVJKSO-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN CCCC[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000906532035 638199924 /nfs/dbraw/zinc/19/99/24/638199924.db2.gz WXTZZDDVXIUASA-OLZOCXBDSA-N 0 1 209.333 2.430 20 0 BEADMN Cc1nnc(NC(=O)C2(C3CCCCC3)CC2)[nH]1 ZINC000906565385 638215127 /nfs/dbraw/zinc/21/51/27/638215127.db2.gz FZQVLEUJTFSJRI-UHFFFAOYSA-N 0 1 248.330 2.412 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1c(C)onc1CC ZINC000907131110 638305600 /nfs/dbraw/zinc/30/56/00/638305600.db2.gz KIGLPMBUHJVVES-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN C/C(Cl)=C\C(=O)Nc1cc(N(C)C)ccn1 ZINC000907322579 638355488 /nfs/dbraw/zinc/35/54/88/638355488.db2.gz ABXYUGWZRHLXOD-SOFGYWHQSA-N 0 1 239.706 2.229 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000907358630 638360063 /nfs/dbraw/zinc/36/00/63/638360063.db2.gz NYLMWRFQWHMCQY-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN C[C@H](CC1CCCCC1)NC(=O)Cc1cnc[nH]1 ZINC000907804689 638469560 /nfs/dbraw/zinc/46/95/60/638469560.db2.gz AVNIKYQCLBZLOV-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN CCC[C@@H](NC(=O)c1[nH]ncc1F)C1CCC1 ZINC000909931206 639282496 /nfs/dbraw/zinc/28/24/96/639282496.db2.gz ZBOQUBODDNNACI-SNVBAGLBSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1[nH+]c(NCC(C)(C)F)ccc1C(=O)[O-] ZINC000910328033 639415447 /nfs/dbraw/zinc/41/54/47/639415447.db2.gz RIHVQTPLFKLBIJ-UHFFFAOYSA-N 0 1 226.251 2.248 20 0 BEADMN C[C@@H](C(=O)[O-])[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000910431762 639447516 /nfs/dbraw/zinc/44/75/16/639447516.db2.gz ZFOBEZFYPZWXEZ-SFYZADRCSA-N 0 1 233.271 2.084 20 0 BEADMN Cc1cccc(N[C@H]2CCC[C@@]2(C)C(=O)[O-])[nH+]1 ZINC000910439993 639449953 /nfs/dbraw/zinc/44/99/53/639449953.db2.gz DURNWZBFGWOMHY-GXFFZTMASA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000910443905 639453140 /nfs/dbraw/zinc/45/31/40/639453140.db2.gz SOIFRCSBDIEHMN-ZWNOBZJWSA-N 0 1 234.299 2.445 20 0 BEADMN C[C@@H](CCC(=O)[O-])Nc1[nH+]c2ccccc2n1C ZINC000910437369 639457537 /nfs/dbraw/zinc/45/75/37/639457537.db2.gz ONFNJTSFKVUISR-VIFPVBQESA-N 0 1 247.298 2.239 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252571 639662374 /nfs/dbraw/zinc/66/23/74/639662374.db2.gz ZCRGFAYQHCLVMS-IRWOLJMASA-N 0 1 227.348 2.077 20 0 BEADMN COC/C(C)=C\CN1CCO[C@H](C(C)(C)C)C1 ZINC000930266602 639669584 /nfs/dbraw/zinc/66/95/84/639669584.db2.gz BSOGMFYKKNJFBQ-TZQNSNDFSA-N 0 1 241.375 2.326 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1(C2CC2)CCC1 ZINC000911571465 639670054 /nfs/dbraw/zinc/67/00/54/639670054.db2.gz OAKJFRCOVTZUGE-UHFFFAOYSA-N 0 1 247.342 2.257 20 0 BEADMN COC/C(C)=C/CN1CCO[C@H](C(C)(C)C)C1 ZINC000930266604 639670876 /nfs/dbraw/zinc/67/08/76/639670876.db2.gz BSOGMFYKKNJFBQ-UWUHSAQLSA-N 0 1 241.375 2.326 20 0 BEADMN Cc1nnsc1[C@H](C)N1[C@H](C)C[C@H]1C ZINC000930273209 639675756 /nfs/dbraw/zinc/67/57/56/639675756.db2.gz OBEZWJGOUNEDGY-BHNWBGBOSA-N 0 1 211.334 2.390 20 0 BEADMN Cc1cc(CN2[C@H](C)C[C@@H]2C)c(C)nn1 ZINC000930272145 639675972 /nfs/dbraw/zinc/67/59/72/639675972.db2.gz BHGVQWJXXNDCQC-AOOOYVTPSA-N 0 1 205.305 2.076 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)C(C)(C)C)C1 ZINC000911592732 639679343 /nfs/dbraw/zinc/67/93/43/639679343.db2.gz VBAIMHXWBMNKCL-MWLCHTKSSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)C(C)(C)C)C1 ZINC000911592727 639679781 /nfs/dbraw/zinc/67/97/81/639679781.db2.gz VBAIMHXWBMNKCL-GXSJLCMTSA-N 0 1 249.358 2.333 20 0 BEADMN CCc1ncc(CN2CCC=C(C)C2)o1 ZINC000930305023 639694143 /nfs/dbraw/zinc/69/41/43/639694143.db2.gz FSCMYPOAVIGOHL-UHFFFAOYSA-N 0 1 206.289 2.389 20 0 BEADMN Cn1nccc1[C@@H]1CCCCN1CCOC1CC1 ZINC000930306839 639694293 /nfs/dbraw/zinc/69/42/93/639694293.db2.gz MEUBERJSFCWIHQ-AWEZNQCLSA-N 0 1 249.358 2.126 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2cc(C)nnc2C)CCCO1 ZINC000930317208 639702894 /nfs/dbraw/zinc/70/28/94/639702894.db2.gz PPONSNSMXYOQHR-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)nnc2C)CCCO1 ZINC000930317208 639702906 /nfs/dbraw/zinc/70/29/06/639702906.db2.gz PPONSNSMXYOQHR-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)C[C@@H]2C)o1 ZINC000930323694 639707392 /nfs/dbraw/zinc/70/73/92/639707392.db2.gz PTQKPILIRVFYAP-QWRGUYRKSA-N 0 1 238.331 2.236 20 0 BEADMN CC[C@@H]1CN([C@H](C)C2CC2)C[C@@H](C)[S@@]1=O ZINC000930453764 639760249 /nfs/dbraw/zinc/76/02/49/639760249.db2.gz BFFJWQBQCBJIFV-NOBRSGAKSA-N 0 1 229.389 2.016 20 0 BEADMN CC[C@@H]1CN(CC2CC(C)C2)C[C@@H](C)[S@]1=O ZINC000930457758 639762338 /nfs/dbraw/zinc/76/23/38/639762338.db2.gz GMOGFSVTEHVZMA-BHXRJMBLSA-N 0 1 243.416 2.264 20 0 BEADMN Cc1[nH+]c(N[C@H]2CC2(C)C)ccc1C(=O)[O-] ZINC000133895321 711475094 /nfs/dbraw/zinc/47/50/94/711475094.db2.gz SVGGAVSKHYIAOZ-VIFPVBQESA-N 0 1 220.272 2.299 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC(F)(F)[C@H](C)C1 ZINC000930512021 639792099 /nfs/dbraw/zinc/79/20/99/639792099.db2.gz AXIDYVLUKSRMDH-ABRRARGCSA-N 0 1 247.285 2.083 20 0 BEADMN CCc1onc(C)c1C[N@@H+](C)C(C)(C)COC ZINC000930555609 639810647 /nfs/dbraw/zinc/81/06/47/639810647.db2.gz WCYPNLGEAZAUAL-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN CCc1onc(C)c1CN(C)C(C)(C)COC ZINC000930555609 639810648 /nfs/dbraw/zinc/81/06/48/639810648.db2.gz WCYPNLGEAZAUAL-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H]1C ZINC000930582824 639813850 /nfs/dbraw/zinc/81/38/50/639813850.db2.gz RSGRVFOEPRHWBB-XFWSIPNHSA-N 0 1 237.265 2.437 20 0 BEADMN C[C@H](N[C@@H]1CCC1(C)C)c1ncccn1 ZINC000930632170 639833395 /nfs/dbraw/zinc/83/33/95/639833395.db2.gz XOOUXGJCFOLDCL-VHSXEESVSA-N 0 1 205.305 2.316 20 0 BEADMN C[C@H](CNC(=O)c1cccc(F)c1O)C1CC1 ZINC000930643532 639840762 /nfs/dbraw/zinc/84/07/62/639840762.db2.gz BVUWJCBPSSKIMH-MRVPVSSYSA-N 0 1 237.274 2.307 20 0 BEADMN COc1nnc(CN[C@H](C)C2CCCC2)s1 ZINC000930659005 639850953 /nfs/dbraw/zinc/85/09/53/639850953.db2.gz TYEWKESBOSLHHK-MRVPVSSYSA-N 0 1 241.360 2.215 20 0 BEADMN CC[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000930661805 639852624 /nfs/dbraw/zinc/85/26/24/639852624.db2.gz NCJZYSMLCOMFGP-MNOVXSKESA-N 0 1 249.358 2.361 20 0 BEADMN COC[C@@H]1CCCN([C@@H](C)c2ncccn2)CC1 ZINC000930674710 639859132 /nfs/dbraw/zinc/85/91/32/639859132.db2.gz FSWHCXSUHYNMID-QWHCGFSZSA-N 0 1 249.358 2.286 20 0 BEADMN Cc1cc(C)nc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000930702144 639868062 /nfs/dbraw/zinc/86/80/62/639868062.db2.gz KMBCTIMUKVUMPS-HIFRSBDPSA-N 0 1 246.354 2.309 20 0 BEADMN CCCCCNC(=O)c1ccc2n1CCN[C@H]2C ZINC000911894727 639871442 /nfs/dbraw/zinc/87/14/42/639871442.db2.gz DXJQTGQERPNJRC-NSHDSACASA-N 0 1 249.358 2.072 20 0 BEADMN COC/C(C)=C\CN1CCO[C@@H](C2CCC2)C1 ZINC000930712490 639874505 /nfs/dbraw/zinc/87/45/05/639874505.db2.gz NUHOIWOEHWZWHE-NFEOESJKSA-N 0 1 239.359 2.080 20 0 BEADMN C[C@@H](NCCCc1cccnc1)c1csnn1 ZINC000930727518 639881674 /nfs/dbraw/zinc/88/16/74/639881674.db2.gz VDPBKBNFJIRWNI-SNVBAGLBSA-N 0 1 248.355 2.217 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@@H](CCO)CC1 ZINC000930753877 639896921 /nfs/dbraw/zinc/89/69/21/639896921.db2.gz JTWXMLGFFGIPOU-QWHCGFSZSA-N 0 1 249.358 2.022 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C2=CCCC2)C[C@@H]1C ZINC000912022901 639928767 /nfs/dbraw/zinc/92/87/67/639928767.db2.gz AJGFADVMIQWCIV-TXEJJXNPSA-N 0 1 236.359 2.038 20 0 BEADMN COC/C(C)=C\CN1C[C@@H](C)OCC12CCC2 ZINC000930856741 639950242 /nfs/dbraw/zinc/95/02/42/639950242.db2.gz QVYJVPIKNDJODX-QWGHSUKYSA-N 0 1 239.359 2.223 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncccn1 ZINC000930853583 639950680 /nfs/dbraw/zinc/95/06/80/639950680.db2.gz VPWKNHZXPYTAFF-QJPTWQEYSA-N 0 1 235.331 2.085 20 0 BEADMN CCc1ncc(CN2CC[C@]3(CC3(F)F)C2)o1 ZINC000930869001 639962828 /nfs/dbraw/zinc/96/28/28/639962828.db2.gz ZMDNZGHGZHJWSM-NSHDSACASA-N 0 1 242.269 2.468 20 0 BEADMN CO[C@@H]1CN(C[C@@H]2CC3CCC2CC3)CCO1 ZINC000931035402 640028778 /nfs/dbraw/zinc/02/87/78/640028778.db2.gz MGLATHWERPQEAO-HOAMVYINSA-N 0 1 239.359 2.117 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@@H]2C[C@@H]2C1 ZINC000931057540 640045710 /nfs/dbraw/zinc/04/57/10/640045710.db2.gz FHDHANLFXCVRJU-IVZWLZJFSA-N 0 1 223.345 2.249 20 0 BEADMN C[C@H](C1CC1)N1Cc2ccccc2N(C)C(=O)C1 ZINC000931178523 640092069 /nfs/dbraw/zinc/09/20/69/640092069.db2.gz UTEMCIUVBBHFQN-LLVKDONJSA-N 0 1 244.338 2.264 20 0 BEADMN CC[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC000912514647 640104046 /nfs/dbraw/zinc/10/40/46/640104046.db2.gz OSSGLKKWIYZJHP-CQSZACIVSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc2c(c(=O)[nH]1)CN(CCCC(C)C)C2 ZINC000931313917 640151890 /nfs/dbraw/zinc/15/18/90/640151890.db2.gz RFLDKEJAJBRQCF-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H](CNC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000912710639 640180073 /nfs/dbraw/zinc/18/00/73/640180073.db2.gz RKBQOOMLZSJOOT-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CN(C/C=C\Cl)Cc2c[nH]nc21 ZINC000931456548 640212989 /nfs/dbraw/zinc/21/29/89/640212989.db2.gz WAKYPVBVCBAXQF-YAJNLLPGSA-N 0 1 211.696 2.081 20 0 BEADMN C[C@H]1CN([C@@H]2C=CCCC2)Cc2c[nH]nc21 ZINC000931457915 640217007 /nfs/dbraw/zinc/21/70/07/640217007.db2.gz CVFAXGDGEWAWAD-CMPLNLGQSA-N 0 1 217.316 2.438 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)Cc2c[nH]nc21 ZINC000931459511 640217873 /nfs/dbraw/zinc/21/78/73/640217873.db2.gz QHFBQOCGUAMSJR-SNVBAGLBSA-N 0 1 237.347 2.144 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCC(C)(C)O2)Cc2c[nH]nc21 ZINC000931461722 640220754 /nfs/dbraw/zinc/22/07/54/640220754.db2.gz YKXOJWLLWUALLA-JQWIXIFHSA-N 0 1 249.358 2.286 20 0 BEADMN C[C@H]1CN(C[C@@H]2CC(C)(C)CO2)Cc2c[nH]nc21 ZINC000931466115 640226004 /nfs/dbraw/zinc/22/60/04/640226004.db2.gz JENSXOXHLWCKOO-JQWIXIFHSA-N 0 1 249.358 2.144 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)Cc2c[nH]nc21 ZINC000931466117 640227254 /nfs/dbraw/zinc/22/72/54/640227254.db2.gz JENSXOXHLWCKOO-PWSUYJOCSA-N 0 1 249.358 2.144 20 0 BEADMN CCc1ncc(CN2C[C@@H](OC)CC[C@@H]2C)o1 ZINC000931475383 640231138 /nfs/dbraw/zinc/23/11/38/640231138.db2.gz SMTGKINOEUYEHY-QWRGUYRKSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1ncc(CN2C[C@H](OC)CC[C@H]2C)o1 ZINC000931475379 640231484 /nfs/dbraw/zinc/23/14/84/640231484.db2.gz SMTGKINOEUYEHY-GHMZBOCLSA-N 0 1 238.331 2.236 20 0 BEADMN C[C@@H]1CC=C(C(=O)N2CC[C@@H](N3CCC3)C2)CC1 ZINC000912902246 640245641 /nfs/dbraw/zinc/24/56/41/640245641.db2.gz CIQCEHVLTCMOHR-TZMCWYRMSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@@]1(C(=O)N2CC[C@@H](N3CCC3)C2)CC=CCC1 ZINC000912904989 640249302 /nfs/dbraw/zinc/24/93/02/640249302.db2.gz XELQVULTMDSTLD-UKRRQHHQSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@]1(C(=O)N2CC[C@@H](N3CCC3)C2)CC=CCC1 ZINC000912904988 640250410 /nfs/dbraw/zinc/25/04/10/640250410.db2.gz XELQVULTMDSTLD-HIFRSBDPSA-N 0 1 248.370 2.039 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965686 640257776 /nfs/dbraw/zinc/25/77/76/640257776.db2.gz AZCVEAUOPGMJPX-USKTWTLRSA-N 0 1 248.330 2.215 20 0 BEADMN CC(C)(C)/C=C\C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912966058 640266512 /nfs/dbraw/zinc/26/65/12/640266512.db2.gz PBZPWQYNGLJAEZ-GFVADAIESA-N 0 1 248.330 2.071 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@@H](C(C)(C)O)C1 ZINC000931613289 640288267 /nfs/dbraw/zinc/28/82/67/640288267.db2.gz XIIODEPJHKEDJC-VXGBXAGGSA-N 0 1 249.358 2.021 20 0 BEADMN CCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931678089 640309809 /nfs/dbraw/zinc/30/98/09/640309809.db2.gz UKKMSGJMWMKKKE-UHFFFAOYSA-N 0 1 219.332 2.447 20 0 BEADMN CSCCN1CCc2nc[nH]c2C12CCC2 ZINC000931678476 640313749 /nfs/dbraw/zinc/31/37/49/640313749.db2.gz HRFGBZDCPAESLQ-UHFFFAOYSA-N 0 1 237.372 2.010 20 0 BEADMN CCc1ncc(CN2CC[C@@H](CF)C2)o1 ZINC000931687782 640317708 /nfs/dbraw/zinc/31/77/08/640317708.db2.gz ZZICOYLUXCNQSV-VIFPVBQESA-N 0 1 212.268 2.028 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1ncccn1 ZINC000931702235 640325095 /nfs/dbraw/zinc/32/50/95/640325095.db2.gz NFDYENFNXPKGBI-BZPMIXESSA-N 0 1 247.342 2.229 20 0 BEADMN CCc1ncc(CN(C)CCCF)o1 ZINC000931765590 640355963 /nfs/dbraw/zinc/35/59/63/640355963.db2.gz YWLVEPXSKWAEQT-UHFFFAOYSA-N 0 1 200.257 2.028 20 0 BEADMN C[C@H](c1ncccn1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000931753959 640350413 /nfs/dbraw/zinc/35/04/13/640350413.db2.gz WZQIYXSLWJYWNQ-FRRDWIJNSA-N 0 1 247.342 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000931753959 640350419 /nfs/dbraw/zinc/35/04/19/640350419.db2.gz WZQIYXSLWJYWNQ-FRRDWIJNSA-N 0 1 247.342 2.039 20 0 BEADMN C(NC1(C2CC2)CCC1)c1noc2c1COCC2 ZINC000931764455 640355642 /nfs/dbraw/zinc/35/56/42/640355642.db2.gz QFCOTPYWAWYBRJ-UHFFFAOYSA-N 0 1 248.326 2.170 20 0 BEADMN CC[C@@H](CO)NCc1ncc(Cl)cc1Cl ZINC000931771445 640364657 /nfs/dbraw/zinc/36/46/57/640364657.db2.gz JOMCVDVOXOMKKT-QMMMGPOBSA-N 0 1 249.141 2.249 20 0 BEADMN CC[C@H](CO)NCc1nsc2ccccc12 ZINC000931772177 640364882 /nfs/dbraw/zinc/36/48/82/640364882.db2.gz IOOFXOUPDLISRK-SECBINFHSA-N 0 1 236.340 2.157 20 0 BEADMN CCCCCCNC(=O)[C@@H](N)c1ccccc1 ZINC000036204169 640407592 /nfs/dbraw/zinc/40/75/92/640407592.db2.gz OLTGCQWIQKZNCM-ZDUSSCGKSA-N 0 1 234.343 2.383 20 0 BEADMN CCc1nnc(SC/C=C/Cl)[nH]1 ZINC000054809791 640413081 /nfs/dbraw/zinc/41/30/81/640413081.db2.gz PSJRNFVGUXVSFN-ONEGZZNKSA-N 0 1 203.698 2.212 20 0 BEADMN CCc1n[nH]c(SC/C=C/Cl)n1 ZINC000054809791 640413085 /nfs/dbraw/zinc/41/30/85/640413085.db2.gz PSJRNFVGUXVSFN-ONEGZZNKSA-N 0 1 203.698 2.212 20 0 BEADMN CCCCC1(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000932071747 640420271 /nfs/dbraw/zinc/42/02/71/640420271.db2.gz RFZXYVSPOHELGO-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932072196 640421480 /nfs/dbraw/zinc/42/14/80/640421480.db2.gz BLEYRDFDVDIKLI-ZETCQYMHSA-N 0 1 213.268 2.376 20 0 BEADMN c1ncc(CNC2(c3ccccc3)CC2)[nH]1 ZINC000163950918 640432762 /nfs/dbraw/zinc/43/27/62/640432762.db2.gz CQXFUUMAVDEPSA-UHFFFAOYSA-N 0 1 213.284 2.189 20 0 BEADMN CCn1ncc(CN2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000932127272 640435574 /nfs/dbraw/zinc/43/55/74/640435574.db2.gz STAYWKOSEYFHOM-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN CCn1ncc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000932127272 640435568 /nfs/dbraw/zinc/43/55/68/640435568.db2.gz STAYWKOSEYFHOM-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN Cn1ccc([C@@H]2CCCN(C/C=C/Cl)C2)n1 ZINC000932138790 640438272 /nfs/dbraw/zinc/43/82/72/640438272.db2.gz YJOXIJKAKXTHJB-ZXCPCRMDSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)(C)OC[C@@H]1CCCN1Cc1cc[nH]n1 ZINC000932168761 640447158 /nfs/dbraw/zinc/44/71/58/640447158.db2.gz RQDJRKNIGJVVHZ-LBPRGKRZSA-N 0 1 237.347 2.189 20 0 BEADMN C[C@@H]1OCCN(CCc2cccs2)[C@H]1C ZINC000156449097 640453403 /nfs/dbraw/zinc/45/34/03/640453403.db2.gz DXHGARZJVRJDCH-QWRGUYRKSA-N 0 1 225.357 2.400 20 0 BEADMN CCC(=O)CCCN1CCC[C@H]1c1ccnn1C ZINC000932264708 640464244 /nfs/dbraw/zinc/46/42/44/640464244.db2.gz KAMFVJPZWJMFGW-AWEZNQCLSA-N 0 1 249.358 2.316 20 0 BEADMN COC(=O)CN1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932276624 640470092 /nfs/dbraw/zinc/47/00/92/640470092.db2.gz UXSUENGFBCBNNX-JSGCOSHPSA-N 0 1 247.338 2.428 20 0 BEADMN C[C@H]1CCN(CCSC(F)(F)F)CCO1 ZINC000932337233 640481106 /nfs/dbraw/zinc/48/11/06/640481106.db2.gz QGRGFCWKQYYVPN-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1nsc(C)c1CN1CCO[C@H](C)CC1 ZINC000932342702 640482766 /nfs/dbraw/zinc/48/27/66/640482766.db2.gz PKITXSHTKWHZRV-SECBINFHSA-N 0 1 240.372 2.371 20 0 BEADMN CCc1ccc(CN2CCO[C@H](C)CC2)nc1 ZINC000932342603 640484439 /nfs/dbraw/zinc/48/44/39/640484439.db2.gz NPILVZFKOOMFRS-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1nc(CCN2CCO[C@@H](C)CC2)cs1 ZINC000932347206 640490543 /nfs/dbraw/zinc/49/05/43/640490543.db2.gz MRRKBCVRWYNXAR-JTQLQIEISA-N 0 1 240.372 2.105 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000932355433 640496200 /nfs/dbraw/zinc/49/62/00/640496200.db2.gz FGQKGSSDLHBSHN-JHJVBQTASA-N 0 1 247.342 2.085 20 0 BEADMN c1cnc([C@H](NC[C@H]2CCCCO2)C2CC2)nc1 ZINC000932360045 640499798 /nfs/dbraw/zinc/49/97/98/640499798.db2.gz JEKVBFXZBNJCHQ-CHWSQXEVSA-N 0 1 247.342 2.086 20 0 BEADMN O[C@@H](CN1CCn2cccc2C1)c1ccccc1 ZINC000932527132 640565499 /nfs/dbraw/zinc/56/54/99/640565499.db2.gz XNZOWNSMMPUSGB-HNNXBMFYSA-N 0 1 242.322 2.037 20 0 BEADMN Cc1nc(CN[C@@H](C)c2ccc(F)cc2C)n[nH]1 ZINC000932561589 640576541 /nfs/dbraw/zinc/57/65/41/640576541.db2.gz APTFQDZARINUNK-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN CSCC1CCN(Cc2n[nH]cc2C)CC1 ZINC000932585159 640577469 /nfs/dbraw/zinc/57/74/69/640577469.db2.gz HCYPUKRSPVQBNK-UHFFFAOYSA-N 0 1 239.388 2.293 20 0 BEADMN CC[C@@H](C)N1CCn2nc(C3CC3)cc2C1 ZINC000932602589 640580915 /nfs/dbraw/zinc/58/09/15/640580915.db2.gz DDUAJSGDIPRRNQ-SNVBAGLBSA-N 0 1 219.332 2.375 20 0 BEADMN Cc1ncc(CN2CCC(F)(C3CC3)CC2)cn1 ZINC000932624028 640589319 /nfs/dbraw/zinc/58/93/19/640589319.db2.gz GHLLIMXFEBYREE-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN CC(C)C(=O)NC1CN(CC2CCCCC2)C1 ZINC001030114073 640604140 /nfs/dbraw/zinc/60/41/40/640604140.db2.gz FVFIOGBMRFNCSG-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC000932785944 640610320 /nfs/dbraw/zinc/61/03/20/640610320.db2.gz AJLPOAPNBOSURB-WCFLWFBJSA-N 0 1 247.342 2.161 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)s2)C1 ZINC000932973671 640652372 /nfs/dbraw/zinc/65/23/72/640652372.db2.gz WQDIUFYLTKRCNW-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CCO[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC000932973706 640655749 /nfs/dbraw/zinc/65/57/49/640655749.db2.gz KIZYQGBCIINFQW-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN C[C@@H](NCCNc1ccccc1)c1ncc[nH]1 ZINC000225048980 640659132 /nfs/dbraw/zinc/65/91/32/640659132.db2.gz OCUIAUYJINLPFA-LLVKDONJSA-N 0 1 230.315 2.172 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c[nH]1 ZINC000933081732 640667868 /nfs/dbraw/zinc/66/78/68/640667868.db2.gz PGQXDBWREBWOFP-ZDUSSCGKSA-N 0 1 249.358 2.048 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCCC1CC1 ZINC000933167814 640674554 /nfs/dbraw/zinc/67/45/54/640674554.db2.gz UWCKVAYJBBPJFF-OCCSQVGLSA-N 0 1 237.343 2.204 20 0 BEADMN C=C/C=C/CCN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933168134 640675006 /nfs/dbraw/zinc/67/50/06/640675006.db2.gz WSOPSLVZAIQILG-JUGZCIIYSA-N 0 1 235.327 2.146 20 0 BEADMN CCN(CCCOC(C)C)C(C)(C)C(=O)OC ZINC000933190854 640676293 /nfs/dbraw/zinc/67/62/93/640676293.db2.gz QMKJXUINXLDQCK-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN C(C1CC1)[C@@H]1COCCN1C[C@H]1CCCCO1 ZINC000933209742 640678104 /nfs/dbraw/zinc/67/81/04/640678104.db2.gz HBKSKHQGVIPTKF-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCOC[C@H]2CC2CC2)O1 ZINC000933206986 640680953 /nfs/dbraw/zinc/68/09/53/640680953.db2.gz AXOACMYNXACPIL-MRVWCRGKSA-N 0 1 239.359 2.055 20 0 BEADMN C(CN1CCOC[C@H]1CC1CC1)OC1CCC1 ZINC000933214954 640682064 /nfs/dbraw/zinc/68/20/64/640682064.db2.gz OZGXQPDBVBCUCZ-CYBMUJFWSA-N 0 1 239.359 2.056 20 0 BEADMN CC(C)C[C@H](O)CNCc1ncc(Cl)s1 ZINC000225333743 640682496 /nfs/dbraw/zinc/68/24/96/640682496.db2.gz RWIBBMJLYBSMQI-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)=CCN1CCOC[C@H]1CC1CC1 ZINC000933215520 640682815 /nfs/dbraw/zinc/68/28/15/640682815.db2.gz RTBDCZYGOUVBBC-CYBMUJFWSA-N 0 1 209.333 2.454 20 0 BEADMN CCCCOCCN1CCOC[C@H]1CC1CC1 ZINC000933212848 640683504 /nfs/dbraw/zinc/68/35/04/640683504.db2.gz JJDLPCAOOUDVMH-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1ncc(-c2nc([C@@H](N)C(C)C)no2)s1 ZINC000225433575 640693146 /nfs/dbraw/zinc/69/31/46/640693146.db2.gz ABLOECVGKDKOHT-QMMMGPOBSA-N 0 1 238.316 2.157 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2O)C1 ZINC000933366835 640708546 /nfs/dbraw/zinc/70/85/46/640708546.db2.gz RYHANSLFICIOII-RKDXNWHRSA-N 0 1 237.274 2.402 20 0 BEADMN CCN(Cc1ccc(Cl)nn1)C1CC1 ZINC000167391147 640715666 /nfs/dbraw/zinc/71/56/66/640715666.db2.gz ASYAECUTPZKICO-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CN(C(=O)c1cc(F)cc(F)c1O)C1CCC1 ZINC000933614417 640735686 /nfs/dbraw/zinc/73/56/86/640735686.db2.gz PDMQGAZMAVKVCJ-UHFFFAOYSA-N 0 1 241.237 2.295 20 0 BEADMN CC(C)=CCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933672003 640740652 /nfs/dbraw/zinc/74/06/52/640740652.db2.gz OEQNMTLEGAZVRI-KBPBESRZSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@]12CN(Cc3ncccn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703422 640747204 /nfs/dbraw/zinc/74/72/04/640747204.db2.gz IFOKJRLCZPHKGZ-SFDCQRBFSA-N 0 1 241.338 2.121 20 0 BEADMN C[C@]12C[N@@H+](Cc3cnns3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706785 640751124 /nfs/dbraw/zinc/75/11/24/640751124.db2.gz ZOKMYXKIZIOOIX-JULQROHOSA-N 0 1 249.383 2.406 20 0 BEADMN C[C@]12CN(Cc3cnns3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706785 640751126 /nfs/dbraw/zinc/75/11/26/640751126.db2.gz ZOKMYXKIZIOOIX-JULQROHOSA-N 0 1 249.383 2.406 20 0 BEADMN CO[C@H](C)CN(Cc1ccoc1)C1CC1 ZINC000934001475 640801902 /nfs/dbraw/zinc/80/19/02/640801902.db2.gz DKZCAUTUDPSIHE-SNVBAGLBSA-N 0 1 209.289 2.279 20 0 BEADMN c1cc(CN(CCOC2CC2)C2CC2)co1 ZINC000934004156 640803485 /nfs/dbraw/zinc/80/34/85/640803485.db2.gz NDHJCPDBKVFBMA-UHFFFAOYSA-N 0 1 221.300 2.423 20 0 BEADMN c1cc(CN(C[C@@H]2CCCO2)C2CC2)co1 ZINC000934006375 640805159 /nfs/dbraw/zinc/80/51/59/640805159.db2.gz IFOKPTUHBPUKQT-ZDUSSCGKSA-N 0 1 221.300 2.423 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000158223407 640824566 /nfs/dbraw/zinc/82/45/66/640824566.db2.gz PDRBHGZPDDDPDT-TUAOUCFPSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H](NCC1CCSCC1)C(F)F ZINC000228521610 640878898 /nfs/dbraw/zinc/87/88/98/640878898.db2.gz XKXGTCORDWCGGQ-SSDOTTSWSA-N 0 1 209.305 2.373 20 0 BEADMN CSCC[C@@H](C)NCc1ncnn1C(C)C ZINC000228912541 640904211 /nfs/dbraw/zinc/90/42/11/640904211.db2.gz NBUHBNDAULRTBN-SNVBAGLBSA-N 0 1 242.392 2.090 20 0 BEADMN CC(C)=CCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000229160264 640929209 /nfs/dbraw/zinc/92/92/09/640929209.db2.gz KFIUEWNHXIDVHJ-UHFFFAOYSA-N 0 1 220.272 2.466 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229241025 640938513 /nfs/dbraw/zinc/93/85/13/640938513.db2.gz IFIAAUCGZAIGPL-GMXVVIOVSA-N 0 1 249.310 2.273 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1occc1C ZINC000229551292 640967187 /nfs/dbraw/zinc/96/71/87/640967187.db2.gz RJSQZNGNJZNLBV-JTQLQIEISA-N 0 1 225.288 2.273 20 0 BEADMN C[C@H](Cc1ccco1)NCc1nccs1 ZINC000062103532 641022308 /nfs/dbraw/zinc/02/23/08/641022308.db2.gz VEJBQNMHTCOILP-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc(F)c2O)[C@@H]1C ZINC000934103074 641063984 /nfs/dbraw/zinc/06/39/84/641063984.db2.gz PEKXNLXZFCKHFD-RKDXNWHRSA-N 0 1 237.274 2.402 20 0 BEADMN CC1(C)OCC(NCc2ccc(F)cc2)CO1 ZINC000230695408 641082866 /nfs/dbraw/zinc/08/28/66/641082866.db2.gz YIIJFDVJYVLUFC-UHFFFAOYSA-N 0 1 239.290 2.067 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)o1 ZINC000062876871 641103226 /nfs/dbraw/zinc/10/32/26/641103226.db2.gz VZGCAFNOWABGGC-ZDUSSCGKSA-N 0 1 237.299 2.275 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1cccnc1)c1csnn1 ZINC000934229270 641108105 /nfs/dbraw/zinc/10/81/05/641108105.db2.gz IERKXMMKYUUWEA-VHSXEESVSA-N 0 1 248.355 2.215 20 0 BEADMN C[C@]1(C(=O)Nc2ccc3[nH]nnc3c2)C=CCC1 ZINC000934234204 641110949 /nfs/dbraw/zinc/11/09/49/641110949.db2.gz NKHQDJUBWCIWJW-ZDUSSCGKSA-N 0 1 242.282 2.253 20 0 BEADMN CC1CCN(CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000172817567 641110969 /nfs/dbraw/zinc/11/09/69/641110969.db2.gz IGUDVOYPGMPXDM-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1conc1CN1CCCSC[C@H]1C ZINC000934296603 641116963 /nfs/dbraw/zinc/11/69/63/641116963.db2.gz LMPNJEPDHCDGGH-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1ncc(CN2CCCSC[C@H]2C)cn1 ZINC000934298517 641119496 /nfs/dbraw/zinc/11/94/96/641119496.db2.gz JNRXXUXMCRPMBC-SNVBAGLBSA-N 0 1 237.372 2.112 20 0 BEADMN CCCN1CCOc2cc(C(=O)OC)ccc2C1 ZINC000934430503 641142403 /nfs/dbraw/zinc/14/24/03/641142403.db2.gz YNNPIBYDPPLOLL-UHFFFAOYSA-N 0 1 249.310 2.078 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCCCC2)C1 ZINC000173288424 641162475 /nfs/dbraw/zinc/16/24/75/641162475.db2.gz GEYGUPJIIGIVCP-GFCCVEGCSA-N 0 1 224.348 2.078 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000173289183 641163078 /nfs/dbraw/zinc/16/30/78/641163078.db2.gz MHZXDFSCDAOPMQ-STQMWFEESA-N 0 1 238.375 2.324 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC(C)CC2)C1 ZINC000173290051 641163870 /nfs/dbraw/zinc/16/38/70/641163870.db2.gz IXLBVFVFWODSTB-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H]1CCCN(Cn2cc[nH]c2=S)C1 ZINC000173289147 641164537 /nfs/dbraw/zinc/16/45/37/641164537.db2.gz SHFFTOBKDFLOMP-VIFPVBQESA-N 0 1 211.334 2.235 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@]1(C)C1CC1 ZINC000934475463 641167109 /nfs/dbraw/zinc/16/71/09/641167109.db2.gz NJLGORSJLGSCLE-TZWLIRKLSA-N 0 1 239.359 2.080 20 0 BEADMN CCO[C@H]1CCN([C@@H](C)c2snnc2C)C1 ZINC000932970843 641167466 /nfs/dbraw/zinc/16/74/66/641167466.db2.gz DXVBPGJUGFTYKK-UWVGGRQHSA-N 0 1 241.360 2.018 20 0 BEADMN CCO[C@H]1CCN([C@H](C)c2snnc2C)C1 ZINC000932970844 641167842 /nfs/dbraw/zinc/16/78/42/641167842.db2.gz DXVBPGJUGFTYKK-ZJUUUORDSA-N 0 1 241.360 2.018 20 0 BEADMN CCCCOCCN1CCOC[C@]1(C)C1CC1 ZINC000934480695 641170951 /nfs/dbraw/zinc/17/09/51/641170951.db2.gz JXRQOJOWOZQVIH-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CC[C@]1(C)CCCN(CN2C[C@H](C)CC2=O)C1 ZINC000173426021 641175612 /nfs/dbraw/zinc/17/56/12/641175612.db2.gz SRFFDJOJTMCTCU-TZMCWYRMSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@]1(C)CCCN(CN2CCCC2=O)C1 ZINC000173422358 641175818 /nfs/dbraw/zinc/17/58/18/641175818.db2.gz MYACRPJUWNFEQE-CYBMUJFWSA-N 0 1 224.348 2.078 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@H](O)[C@H](F)C2)c1 ZINC000934573473 641203029 /nfs/dbraw/zinc/20/30/29/641203029.db2.gz GLZUXDDAAKLXLN-YUTCNCBUSA-N 0 1 237.318 2.461 20 0 BEADMN Cc1cccc(C)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000934573362 641203656 /nfs/dbraw/zinc/20/36/56/641203656.db2.gz FERLRYMUVJPWHH-UONOGXRCSA-N 0 1 237.318 2.208 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@@H]2CC=CC[C@H]2C)n1 ZINC000934621959 641217017 /nfs/dbraw/zinc/21/70/17/641217017.db2.gz NRXLNYFKWWGLQU-ADEWGFFLSA-N 0 1 247.342 2.496 20 0 BEADMN CCc1noc(CN[C@@H]2CC=CC[C@H]2C)n1 ZINC000934628728 641223727 /nfs/dbraw/zinc/22/37/27/641223727.db2.gz CWDPSLTVRUYDHI-NXEZZACHSA-N 0 1 221.304 2.076 20 0 BEADMN CSCC(C)(C)NCc1ncc(Cl)n1C ZINC000934675238 641244062 /nfs/dbraw/zinc/24/40/62/641244062.db2.gz SEBUJXIZBPQPTA-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN Cn1cncc1CN[C@H](c1ccncc1)C1CC1 ZINC000934691801 641247454 /nfs/dbraw/zinc/24/74/54/641247454.db2.gz IIDSLIXMMHICHW-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN Cc1cncc(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000088451987 641355365 /nfs/dbraw/zinc/35/53/65/641355365.db2.gz WIMQGBKQGYLVRM-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN CN1CCN(C(=O)CCC2(C)CC2)C(C)(C)C1 ZINC000935174077 641355598 /nfs/dbraw/zinc/35/55/98/641355598.db2.gz ZMYIROLISCHXPC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCC1(C)CC1 ZINC000935214541 641366949 /nfs/dbraw/zinc/36/69/49/641366949.db2.gz RKVYENPJYKGVPJ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCOC(=O)/C=C/CN1CC[C@H](c2ccco2)C1 ZINC000929619724 641377956 /nfs/dbraw/zinc/37/79/56/641377956.db2.gz OFXUULCDWHVIBU-UXONFWTHSA-N 0 1 249.310 2.188 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@]2(C)C=CCC2)c1 ZINC000935341434 641391580 /nfs/dbraw/zinc/39/15/80/641391580.db2.gz BNFPWWIEXSIXAT-CQSZACIVSA-N 0 1 245.326 2.442 20 0 BEADMN C[C@H](c1ncccn1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000929715950 641415303 /nfs/dbraw/zinc/41/53/03/641415303.db2.gz ZMDGKXIIIHOIOA-MXWKQRLJSA-N 0 1 217.316 2.125 20 0 BEADMN Cc1cccc(C)c1NC(=O)NC[C@H]1CCN1C ZINC000925394581 641424920 /nfs/dbraw/zinc/42/49/20/641424920.db2.gz QMMGBJHVYLUOEZ-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN CC[C@@H](CC(=O)NC12CCN(CC1)C2)C(C)C ZINC000913628179 641432742 /nfs/dbraw/zinc/43/27/42/641432742.db2.gz AALUDANZQFPKSD-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCC[C@@H](C)C(=O)Nc1c[nH]nn1 ZINC000935596080 641439274 /nfs/dbraw/zinc/43/92/74/641439274.db2.gz COVWTCVQPVNQPN-SECBINFHSA-N 0 1 224.308 2.350 20 0 BEADMN CCCc1ccccc1C(=O)Nc1c[nH]nn1 ZINC000935598477 641442912 /nfs/dbraw/zinc/44/29/12/641442912.db2.gz PMTLPZOKQNCNIX-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN CC(C)Cc1ccccc1C(=O)Nc1c[nH]nn1 ZINC000935597892 641443611 /nfs/dbraw/zinc/44/36/11/641443611.db2.gz PCSDJFGRHAPFDY-UHFFFAOYSA-N 0 1 244.298 2.256 20 0 BEADMN CCCC(C)(C)CC(=O)NC12CCN(CC1)C2 ZINC000913633749 641444901 /nfs/dbraw/zinc/44/49/01/641444901.db2.gz MKIXOFWCNKJJAI-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN NCc1ncc(-c2ccc3c(c2)CCCC3)cn1 ZINC000935617832 641447135 /nfs/dbraw/zinc/44/71/35/641447135.db2.gz MHCLVQGTCUTWNK-UHFFFAOYSA-N 0 1 239.322 2.481 20 0 BEADMN CC(C)=CCNC(=O)c1cc(F)cc(F)c1O ZINC000935611278 641447451 /nfs/dbraw/zinc/44/74/51/641447451.db2.gz VVEWNHCUWWDIOP-UHFFFAOYSA-N 0 1 241.237 2.366 20 0 BEADMN CC1(C)CN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000935716123 641466390 /nfs/dbraw/zinc/46/63/90/641466390.db2.gz QPJIDSGISKYGHW-UHFFFAOYSA-N 0 1 241.237 2.152 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)NC(C)(C)C(F)F ZINC000935743099 641473968 /nfs/dbraw/zinc/47/39/68/641473968.db2.gz DSCMLBLBBFINHB-SECBINFHSA-N 0 1 248.317 2.019 20 0 BEADMN O=C(C[C@@H]1CC=CCC1)NCCN1CC=CCC1 ZINC000935750267 641474388 /nfs/dbraw/zinc/47/43/88/641474388.db2.gz YHMXZGHKUZGIMJ-CQSZACIVSA-N 0 1 248.370 2.111 20 0 BEADMN COc1ccccc1-c1nc([C@@H](N)C(C)C)no1 ZINC000041123598 641541355 /nfs/dbraw/zinc/54/13/55/641541355.db2.gz CCOXNPAVTIPKMV-NSHDSACASA-N 0 1 247.298 2.401 20 0 BEADMN Cc1cccnc1-c1noc([C@@H]2CCCCN2)n1 ZINC000043616182 641571311 /nfs/dbraw/zinc/57/13/11/641571311.db2.gz CSRAFASJTWGZHB-JTQLQIEISA-N 0 1 244.298 2.255 20 0 BEADMN C[C@H]1C[C@@H](Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C ZINC000155839317 641586483 /nfs/dbraw/zinc/58/64/83/641586483.db2.gz WEVHDFCDZDVGFG-GWCFXTLKSA-N 0 1 248.326 2.279 20 0 BEADMN Cc1ccc2nc(CN3CC[C@H]4C[C@H]43)cn2c1 ZINC000761096971 641595431 /nfs/dbraw/zinc/59/54/31/641595431.db2.gz SZMNLCTVZOEJQT-WCQYABFASA-N 0 1 227.311 2.237 20 0 BEADMN C[C@@H](NCc1cccc(F)c1)c1cnn(C)c1 ZINC000044495662 641602982 /nfs/dbraw/zinc/60/29/82/641602982.db2.gz GDWFDBKPGOXYQE-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN Cc1c(Cl)cnn1CN(C)C1CCC1 ZINC000156721101 641610690 /nfs/dbraw/zinc/61/06/90/641610690.db2.gz VXAGCZDPUPXXBP-UHFFFAOYSA-N 0 1 213.712 2.287 20 0 BEADMN CCN[C@H](C)c1nc(-c2ncccc2CC)no1 ZINC000157791774 641625340 /nfs/dbraw/zinc/62/53/40/641625340.db2.gz VNWJENSLHHLYIG-SECBINFHSA-N 0 1 246.314 2.365 20 0 BEADMN CCCCN(C)[C@@H](C)C(=O)OCCC ZINC000158231406 641630087 /nfs/dbraw/zinc/63/00/87/641630087.db2.gz XXNVTWPZAGLXDS-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047240375 641638117 /nfs/dbraw/zinc/63/81/17/641638117.db2.gz QBLRWFGCRGKBJX-ZYHUDNBSSA-N 0 1 248.282 2.414 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000723141949 711507173 /nfs/dbraw/zinc/50/71/73/711507173.db2.gz GIZIAXMJDJDHME-KKOKHZNYSA-N 0 1 225.332 2.218 20 0 BEADMN CCCCOC(=O)CN(C)[C@H](C)CCC ZINC000047868219 641665849 /nfs/dbraw/zinc/66/58/49/641665849.db2.gz QZKVVTWKZDZYNI-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCCCC[C@@H](C)NC(=O)CN(C)C1CC1 ZINC000047914973 641668692 /nfs/dbraw/zinc/66/86/92/641668692.db2.gz CKYZOSXDDPMJOY-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN CCC1(CC)CCCN(C(=O)CN(C)C)CC1 ZINC000189130969 641690832 /nfs/dbraw/zinc/69/08/32/641690832.db2.gz DOOUGWZKUSIHQD-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000159754750 641699217 /nfs/dbraw/zinc/69/92/17/641699217.db2.gz XWSRDNDPRBZFNH-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)C(C)C ZINC000159981842 641708074 /nfs/dbraw/zinc/70/80/74/641708074.db2.gz JFIRDYREQYHVFQ-JTQLQIEISA-N 0 1 201.310 2.058 20 0 BEADMN CCC(C)(C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188286463 641752237 /nfs/dbraw/zinc/75/22/37/641752237.db2.gz WRPSAMOJMPGCJZ-UHFFFAOYSA-N 0 1 249.358 2.136 20 0 BEADMN Cc1ccoc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000229550922 641757532 /nfs/dbraw/zinc/75/75/32/641757532.db2.gz UYGVQVMWMHZIGG-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000915216410 641809416 /nfs/dbraw/zinc/80/94/16/641809416.db2.gz IRAPEXQPDNLCDA-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN O[C@H](CN1CCCCC1)c1c(F)cccc1F ZINC000076406030 641809639 /nfs/dbraw/zinc/80/96/39/641809639.db2.gz QJTFMIMNCLHOQQ-GFCCVEGCSA-N 0 1 241.281 2.484 20 0 BEADMN Cc1ccc(CNC(=O)CN2CCCC2)c(C)c1 ZINC000915216013 641810306 /nfs/dbraw/zinc/81/03/06/641810306.db2.gz AERXCMDPXDTQFK-UHFFFAOYSA-N 0 1 246.354 2.015 20 0 BEADMN Fc1ccccc1C1(NCc2cnc[nH]2)CC1 ZINC000076766664 641825537 /nfs/dbraw/zinc/82/55/37/641825537.db2.gz GXHDHWBMQQDBTI-UHFFFAOYSA-N 0 1 231.274 2.328 20 0 BEADMN Cc1ccc([C@H](C)CN2CCOCC2)cc1 ZINC000628116789 641858101 /nfs/dbraw/zinc/85/81/01/641858101.db2.gz CSYDENPFEBJVND-CYBMUJFWSA-N 0 1 219.328 2.431 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1cc(C)ccc1C ZINC000915913757 641886093 /nfs/dbraw/zinc/88/60/93/641886093.db2.gz VCXHWVDSSGCXFM-NSHDSACASA-N 0 1 234.324 2.270 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1CCCCCCC1 ZINC000191872211 641949868 /nfs/dbraw/zinc/94/98/68/641949868.db2.gz XDOZFLITMMWZJP-NSHDSACASA-N 0 1 249.362 2.335 20 0 BEADMN Cn1nccc1[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000916740347 641973604 /nfs/dbraw/zinc/97/36/04/641973604.db2.gz UIRBWICGNZSSLV-ZTYXWKCZSA-N 0 1 239.750 2.352 20 0 BEADMN Cn1nccc1[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000916740347 641973610 /nfs/dbraw/zinc/97/36/10/641973610.db2.gz UIRBWICGNZSSLV-ZTYXWKCZSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cc(C)ccc1C ZINC000916999118 641990738 /nfs/dbraw/zinc/99/07/38/641990738.db2.gz ARQWRUNNFMXWPI-LBPRGKRZSA-N 0 1 248.351 2.411 20 0 BEADMN Cc1cc(N(C)C)nc(NCc2ccoc2)n1 ZINC000917082661 642004647 /nfs/dbraw/zinc/00/46/47/642004647.db2.gz WNPWMIWIOCEOMO-UHFFFAOYSA-N 0 1 232.287 2.056 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@@H](C)c1cccs1 ZINC000917082851 642004719 /nfs/dbraw/zinc/00/47/19/642004719.db2.gz WIXNWHNHQLELHY-IONNQARKSA-N 0 1 240.353 2.417 20 0 BEADMN Cc1cn[nH]c1CS[C@@H]1CCO[C@@H]1C ZINC000917351280 642049731 /nfs/dbraw/zinc/04/97/31/642049731.db2.gz WRQSVQIKGAKYCG-PSASIEDQSA-N 0 1 212.318 2.129 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CC=CCC1 ZINC000925438072 642055871 /nfs/dbraw/zinc/05/58/71/642055871.db2.gz UOQBTWNRVGCZHM-WCBMZHEXSA-N 0 1 207.277 2.137 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCCC(C)C ZINC000917419110 642058256 /nfs/dbraw/zinc/05/82/56/642058256.db2.gz HWHMELHZEKCVIX-VIFPVBQESA-N 0 1 214.334 2.030 20 0 BEADMN Cc1cc(C)nc(CN2CCOC[C@@H](C)C2)c1 ZINC000930085222 642357927 /nfs/dbraw/zinc/35/79/27/642357927.db2.gz HPVWECXKHHEDCI-LBPRGKRZSA-N 0 1 234.343 2.167 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCOC[C@@H](C)C1 ZINC000930084710 642359565 /nfs/dbraw/zinc/35/95/65/642359565.db2.gz CDFZDSLACDZGTB-WDEREUQCSA-N 0 1 238.306 2.250 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccco1 ZINC000050925062 642369858 /nfs/dbraw/zinc/36/98/58/642369858.db2.gz KKIPHIDWSDZSKO-LLVKDONJSA-N 0 1 237.299 2.499 20 0 BEADMN CC[N@@H+](CCCSC)C(C)(C)C(=O)OC ZINC000933187177 642378460 /nfs/dbraw/zinc/37/84/60/642378460.db2.gz IQRBPGZMGQIGBQ-UHFFFAOYSA-N 0 1 233.377 2.013 20 0 BEADMN CCN(CCCSC)C(C)(C)C(=O)OC ZINC000933187177 642378464 /nfs/dbraw/zinc/37/84/64/642378464.db2.gz IQRBPGZMGQIGBQ-UHFFFAOYSA-N 0 1 233.377 2.013 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)CCc1cnc[nH]1 ZINC000188566404 642415186 /nfs/dbraw/zinc/41/51/86/642415186.db2.gz DMUAXHUOXBAGJV-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1ccccn1 ZINC000933250977 642416396 /nfs/dbraw/zinc/41/63/96/642416396.db2.gz ORBMZZLJHFMQMZ-HNNXBMFYSA-N 0 1 247.386 2.244 20 0 BEADMN CCN1CCN(c2nc3ccc(F)cc3o2)CC1 ZINC000891394610 642464244 /nfs/dbraw/zinc/46/42/44/642464244.db2.gz WZEDASOJBNHRNZ-UHFFFAOYSA-N 0 1 249.289 2.109 20 0 BEADMN OC[C@H](NC/C=C/Cl)c1ccsc1 ZINC000308188095 642482647 /nfs/dbraw/zinc/48/26/47/642482647.db2.gz KXQRDLIRGFCUDT-ARLXTTGXSA-N 0 1 217.721 2.124 20 0 BEADMN CCCN(CC)Cn1cc(Cl)cn1 ZINC000308212088 642503540 /nfs/dbraw/zinc/50/35/40/642503540.db2.gz GVEDRVRATMCNJO-UHFFFAOYSA-N 0 1 201.701 2.226 20 0 BEADMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000305451034 642660160 /nfs/dbraw/zinc/66/01/60/642660160.db2.gz RMUJDCJYQVLGDR-ZETCQYMHSA-N 0 1 249.141 2.201 20 0 BEADMN C[C@@H](CO)N(C)Cc1cc(Cl)nc(Cl)c1 ZINC000305451034 642660162 /nfs/dbraw/zinc/66/01/62/642660162.db2.gz RMUJDCJYQVLGDR-ZETCQYMHSA-N 0 1 249.141 2.201 20 0 BEADMN CCc1ccc(C(C)(C)C(=O)NOC)cc1 ZINC000175330577 642674568 /nfs/dbraw/zinc/67/45/68/642674568.db2.gz SPEIHGQQFHBDIX-UHFFFAOYSA-N 0 1 221.300 2.204 20 0 BEADMN CCS[C@H]1CCC[C@H]1NCc1nonc1C ZINC000233850659 642702891 /nfs/dbraw/zinc/70/28/91/642702891.db2.gz YQFXMSIEZPYULT-KOLCDFICSA-N 0 1 241.360 2.142 20 0 BEADMN CC(C)CON=c1[nH]cncc1Cl ZINC000306316730 642736180 /nfs/dbraw/zinc/73/61/80/642736180.db2.gz HEHIWOXWIZJOMK-UHFFFAOYSA-N 0 1 201.657 2.130 20 0 BEADMN O=C(CCCC1CCCCC1)N1CCNCC1 ZINC000237979954 642766087 /nfs/dbraw/zinc/76/60/87/642766087.db2.gz CIOILJGTSRAJMQ-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CC(=O)NC[C@H]1CCCCCN1C/C=C\Cl ZINC000968723301 642817176 /nfs/dbraw/zinc/81/71/76/642817176.db2.gz WQTXFYXHQUVNGB-SMYYYNMVSA-N 0 1 244.766 2.120 20 0 BEADMN CC(C)COC(=O)CN(CC(C)C)C1CC1 ZINC000181431865 642870107 /nfs/dbraw/zinc/87/01/07/642870107.db2.gz WLCNKCUDXKQMMD-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001017387266 642974662 /nfs/dbraw/zinc/97/46/62/642974662.db2.gz LUGWIFPPOMEYKG-SFHCTESPSA-N 0 1 248.370 2.038 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(N(C)C)cc1 ZINC000016973746 643000145 /nfs/dbraw/zinc/00/01/45/643000145.db2.gz UZPXNCNNQMTDMH-UHFFFAOYSA-N 0 1 249.358 2.033 20 0 BEADMN Cc1nonc1CN[C@@H]1CCc2ccccc2C1 ZINC000070261811 643007597 /nfs/dbraw/zinc/00/75/97/643007597.db2.gz QUQGODQXVSXXMG-CYBMUJFWSA-N 0 1 243.310 2.025 20 0 BEADMN Cc1nonc1CN[C@H](C)CCc1ccco1 ZINC000070261775 643008256 /nfs/dbraw/zinc/00/82/56/643008256.db2.gz KRUXYROBYMQESH-SECBINFHSA-N 0 1 235.287 2.082 20 0 BEADMN C[C@@H](NC(=O)[C@H](N)c1ccccc1)C1CCCC1 ZINC000070307602 643017315 /nfs/dbraw/zinc/01/73/15/643017315.db2.gz GWJIKLXLMSGLGI-BXUZGUMPSA-N 0 1 246.354 2.381 20 0 BEADMN CCOC(=O)CC1CCN(C/C=C/Cl)CC1 ZINC000120047832 643068027 /nfs/dbraw/zinc/06/80/27/643068027.db2.gz WQUVUGYSWGDFGR-ZZXKWVIFSA-N 0 1 245.750 2.404 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1ccc(C)cc1 ZINC000070937712 643083802 /nfs/dbraw/zinc/08/38/02/643083802.db2.gz GTEOEGKNCSZECB-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437059 643130293 /nfs/dbraw/zinc/13/02/93/643130293.db2.gz VLOJETOBJKWDDI-NSHDSACASA-N 0 1 225.263 2.121 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000042437304 643130627 /nfs/dbraw/zinc/13/06/27/643130627.db2.gz UESHKKSDDDMWHD-SECBINFHSA-N 0 1 241.718 2.493 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@H]1C ZINC000252889423 643135997 /nfs/dbraw/zinc/13/59/97/643135997.db2.gz DDVDOISKMFGMQI-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CCCC[C@@H](CC)CN(C)CCS(C)(=O)=O ZINC000183611092 643150936 /nfs/dbraw/zinc/15/09/36/643150936.db2.gz RHRUTKPHTGVTIE-GFCCVEGCSA-N 0 1 249.420 2.179 20 0 BEADMN Clc1ccc(CN2C[C@@H]3C[C@@H]3C2)cn1 ZINC000306742415 643224580 /nfs/dbraw/zinc/22/45/80/643224580.db2.gz FWCJWYHSJUTUCS-AOOOYVTPSA-N 0 1 208.692 2.187 20 0 BEADMN CSc1ccc(CNCc2c[nH]cn2)cc1 ZINC000082394553 643308359 /nfs/dbraw/zinc/30/83/59/643308359.db2.gz XVIQMPJPEVHFFG-UHFFFAOYSA-N 0 1 233.340 2.421 20 0 BEADMN CO[C@@H](CNCc1cccc(O)c1)C(F)(F)F ZINC000733329562 643328130 /nfs/dbraw/zinc/32/81/30/643328130.db2.gz GWCOJBPQQAABEK-JTQLQIEISA-N 0 1 249.232 2.059 20 0 BEADMN CCCCNCc1csc(COC)n1 ZINC000082686610 643364545 /nfs/dbraw/zinc/36/45/45/643364545.db2.gz YIIPLWPINVVFEZ-UHFFFAOYSA-N 0 1 214.334 2.179 20 0 BEADMN CC(C)=CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001032243371 643394799 /nfs/dbraw/zinc/39/47/99/643394799.db2.gz YIYKUNYDHWELSC-KBPBESRZSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)=CCN1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001032262409 643413133 /nfs/dbraw/zinc/41/31/33/643413133.db2.gz YWLFAQCWNURTIH-KBPBESRZSA-N 0 1 248.370 2.204 20 0 BEADMN COC[C@H]1COCCN1CCC1=CCCCC1 ZINC000933329423 711520320 /nfs/dbraw/zinc/52/03/20/711520320.db2.gz IOUUXMMZRJASAR-AWEZNQCLSA-N 0 1 239.359 2.224 20 0 BEADMN CC[C@H](C)[C@H](N[C@@H]1CCC[C@@H]1C)C(=O)OC ZINC000083390457 643445577 /nfs/dbraw/zinc/44/55/77/643445577.db2.gz SBBPRHKRQVDIRS-YFKTTZPYSA-N 0 1 227.348 2.352 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)nn2)[C@H]1C ZINC000307502167 643488308 /nfs/dbraw/zinc/48/83/08/643488308.db2.gz IWGIYOSXXXERSC-BDAKNGLRSA-N 0 1 225.723 2.360 20 0 BEADMN CCN(CC(=O)N1CCCCCCC1)C1CC1 ZINC000045770974 643560117 /nfs/dbraw/zinc/56/01/17/643560117.db2.gz GPNDLUOTQVWTIB-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CC=CCC1 ZINC000307709920 643581188 /nfs/dbraw/zinc/58/11/88/643581188.db2.gz NVIQKFCGPUFQAA-QMMMGPOBSA-N 0 1 206.116 2.442 20 0 BEADMN C[N@H+](CCC(C)(C)C(=O)[O-])Cc1cscn1 ZINC000083638477 643601433 /nfs/dbraw/zinc/60/14/33/643601433.db2.gz SYPGBQAUIWEJOM-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1cscn1 ZINC000083638477 643601437 /nfs/dbraw/zinc/60/14/37/643601437.db2.gz SYPGBQAUIWEJOM-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638410 643601780 /nfs/dbraw/zinc/60/17/80/643601780.db2.gz IZOAXBPRGWUTPW-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CCOCCNCc1cc(C)cnc1Cl ZINC000921551053 643603010 /nfs/dbraw/zinc/60/30/10/643603010.db2.gz XMMIVKLCNPCEHU-UHFFFAOYSA-N 0 1 228.723 2.170 20 0 BEADMN C/C(=C/C[N@H+](CC(C)C)C1CC1)C(=O)[O-] ZINC000084002820 643640374 /nfs/dbraw/zinc/64/03/74/643640374.db2.gz SMVAHBFTAAADAY-POHAHGRESA-N 0 1 211.305 2.138 20 0 BEADMN CCCN[C@H](C)c1nc(C2(C)CC2)no1 ZINC000087554244 643664776 /nfs/dbraw/zinc/66/47/76/643664776.db2.gz UFVJXQHLNOGHLQ-MRVPVSSYSA-N 0 1 209.293 2.182 20 0 BEADMN CCN(Cc1ccccc1)c1nc(C)cc(N)n1 ZINC000084550956 643667059 /nfs/dbraw/zinc/66/70/59/643667059.db2.gz YYXLIXNKVJOITP-UHFFFAOYSA-N 0 1 242.326 2.394 20 0 BEADMN CCc1cc(CNC(=O)C2C(C)(C)C2(C)C)n[nH]1 ZINC000073613828 643712926 /nfs/dbraw/zinc/71/29/26/643712926.db2.gz RZIRFXJLJFDZJO-UHFFFAOYSA-N 0 1 249.358 2.271 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@H]1CCSC1 ZINC000921794409 643790331 /nfs/dbraw/zinc/79/03/31/643790331.db2.gz UQOYXLGCIFMWJV-ZETCQYMHSA-N 0 1 245.779 2.221 20 0 BEADMN CCC[C@H](C(=O)Nc1cnc(C)c(C)c1)N(C)C ZINC000921873066 643814182 /nfs/dbraw/zinc/81/41/82/643814182.db2.gz BOBVIOMUNZBILO-CYBMUJFWSA-N 0 1 249.358 2.367 20 0 BEADMN O=c1cc(CNc2cc3c(cn2)CCC3)cc[nH]1 ZINC000922148688 643873651 /nfs/dbraw/zinc/87/36/51/643873651.db2.gz LNOZYIXXZOBWFE-UHFFFAOYSA-N 0 1 241.294 2.283 20 0 BEADMN CCn1nc(C)c(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000922433555 643995485 /nfs/dbraw/zinc/99/54/85/643995485.db2.gz XAKNTLFRCXSRCM-YNEHKIRRSA-N 0 1 248.374 2.132 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)no1 ZINC000922511574 644009412 /nfs/dbraw/zinc/00/94/12/644009412.db2.gz USYBXUAUWZFHMS-KPQFEUGASA-N 0 1 206.289 2.117 20 0 BEADMN CC(C)(/C=C/Cl)NCc1ccc(CO)o1 ZINC000922647450 644050630 /nfs/dbraw/zinc/05/06/30/644050630.db2.gz CGHRMHSALFYDLX-AATRIKPKSA-N 0 1 229.707 2.393 20 0 BEADMN CCn1nnc(C)c1CNC(C)(C)/C=C\Cl ZINC000922644872 644051898 /nfs/dbraw/zinc/05/18/98/644051898.db2.gz LAAYNNMXTYLRCK-SREVYHEPSA-N 0 1 242.754 2.227 20 0 BEADMN Cc1c(CNC(C)(C)/C=C/Cl)cnn1C ZINC000922648279 644053082 /nfs/dbraw/zinc/05/30/82/644053082.db2.gz GZOUVXIUMNBHMI-AATRIKPKSA-N 0 1 227.739 2.349 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cncnc1 ZINC000922649112 644055238 /nfs/dbraw/zinc/05/52/38/644055238.db2.gz SEMVEOIBXYVHJQ-ARJAWSKDSA-N 0 1 211.696 2.097 20 0 BEADMN Cn1ccnc1CNC[C@@H]1CCCC2(CCC2)O1 ZINC000922814277 644100147 /nfs/dbraw/zinc/10/01/47/644100147.db2.gz VNUQDTUKZCOFFX-LBPRGKRZSA-N 0 1 249.358 2.002 20 0 BEADMN C[C@]1(CNCc2cn(C3CC3)cn2)CCCCO1 ZINC000922818897 644108810 /nfs/dbraw/zinc/10/88/10/644108810.db2.gz TYXPHLUCNIIPQS-CQSZACIVSA-N 0 1 249.358 2.267 20 0 BEADMN CCC[C@@H](O)CCNCc1nc2ccccc2o1 ZINC000922822792 644112571 /nfs/dbraw/zinc/11/25/71/644112571.db2.gz SEBSMNNQIQFZQD-LLVKDONJSA-N 0 1 248.326 2.469 20 0 BEADMN CCC(=O)N(C)C1CCN(C[C@@H](F)CC)CC1 ZINC001005016849 644161288 /nfs/dbraw/zinc/16/12/88/644161288.db2.gz CUAGDFSEVOCHDG-NSHDSACASA-N 0 1 244.354 2.067 20 0 BEADMN CC/C=C/COC(=O)CCCCc1cn[nH]n1 ZINC000192549165 644163190 /nfs/dbraw/zinc/16/31/90/644163190.db2.gz DJOPISMKISTEML-ZZXKWVIFSA-N 0 1 237.303 2.027 20 0 BEADMN C[C@H]1CN(Cc2cn[nH]c2)C[C@H](C)C1(F)F ZINC000625654468 644168160 /nfs/dbraw/zinc/16/81/60/644168160.db2.gz OFVVBQKEAUIBHZ-IUCAKERBSA-N 0 1 229.274 2.133 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@H](C)C1(C)CC1 ZINC000246054853 644182452 /nfs/dbraw/zinc/18/24/52/644182452.db2.gz AFGZWFKUDMMVAB-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)N(CN1CCSC1=S)C1CC1 ZINC000192796638 644185194 /nfs/dbraw/zinc/18/51/94/644185194.db2.gz DHFSMGTZFYWIHA-UHFFFAOYSA-N 0 1 230.402 2.150 20 0 BEADMN CC(C)c1cnc(CN[C@H]2C[C@H](CO)C2)s1 ZINC000923004744 644230828 /nfs/dbraw/zinc/23/08/28/644230828.db2.gz XHFFUXOAXZPGCN-MGCOHNPYSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1coc(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000923031634 644239323 /nfs/dbraw/zinc/23/93/23/644239323.db2.gz SSQVYLJEERNCPK-SMDDNHRTSA-N 0 1 233.311 2.389 20 0 BEADMN CCCCCC[C@@H](O)C[N@@H+](CC(=O)[O-])C(C)C ZINC000923244485 644297836 /nfs/dbraw/zinc/29/78/36/644297836.db2.gz QMZLIGAJRVVKFS-GFCCVEGCSA-N 0 1 245.363 2.113 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000923273516 644307770 /nfs/dbraw/zinc/30/77/70/644307770.db2.gz WKBZFLYTGSZIKA-MMQHEFTJSA-N 0 1 231.295 2.249 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1sccc1C ZINC000083414634 644403201 /nfs/dbraw/zinc/40/32/01/644403201.db2.gz RVGFBUVBIUYWMI-SECBINFHSA-N 0 1 227.329 2.352 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccoc1 ZINC000083417259 644404401 /nfs/dbraw/zinc/40/44/01/644404401.db2.gz CWMUQNXDCARLME-NSHDSACASA-N 0 1 223.272 2.109 20 0 BEADMN CC(C)c1noc(-c2csc([C@@H](C)N)n2)n1 ZINC000085546898 644444240 /nfs/dbraw/zinc/44/42/40/644444240.db2.gz WJADYWHXJDKREV-ZCFIWIBFSA-N 0 1 238.316 2.336 20 0 BEADMN c1cc(CNCc2cccc3c2OCCO3)c[nH]1 ZINC000086254067 644460085 /nfs/dbraw/zinc/46/00/85/644460085.db2.gz PQMQOANPERWWOF-UHFFFAOYSA-N 0 1 244.294 2.076 20 0 BEADMN CCCCCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000086257864 644460119 /nfs/dbraw/zinc/46/01/19/644460119.db2.gz YWVNBWNDCKYKCU-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCN1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923548033 644494958 /nfs/dbraw/zinc/49/49/58/644494958.db2.gz LPSQALIYAKLYAW-QWHCGFSZSA-N 0 1 246.354 2.307 20 0 BEADMN C[C@H]1CCN(Cn2cc[nH]c2=S)C[C@H]1C ZINC000245764527 644541208 /nfs/dbraw/zinc/54/12/08/644541208.db2.gz QTYPOCQQWPMPPY-VHSXEESVSA-N 0 1 225.361 2.107 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC[C@@H](CC)C2)C1 ZINC000245869747 644547946 /nfs/dbraw/zinc/54/79/46/644547946.db2.gz NKNYUVZIPNYVMM-OLZOCXBDSA-N 0 1 238.375 2.324 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@H](C)C1CC1 ZINC000246514433 644591220 /nfs/dbraw/zinc/59/12/20/644591220.db2.gz BLTFXSNBEGWFRA-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C[C@H](C)CC ZINC000246532993 644593476 /nfs/dbraw/zinc/59/34/76/644593476.db2.gz CGWATDADXUCPOY-MNOVXSKESA-N 0 1 215.337 2.306 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1cccnc1Cl ZINC000090774223 644606379 /nfs/dbraw/zinc/60/63/79/644606379.db2.gz BCSCDFUVVKQPLV-IUCAKERBSA-N 0 1 226.707 2.175 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CCC[C@H]1C ZINC000247237212 644627050 /nfs/dbraw/zinc/62/70/50/644627050.db2.gz DKIGXJYACKHGNH-MNOVXSKESA-N 0 1 213.321 2.203 20 0 BEADMN C[C@@H](NCCOc1cccnc1)c1nccs1 ZINC000091724751 644637483 /nfs/dbraw/zinc/63/74/83/644637483.db2.gz SQUJOAQYJNCFGI-SNVBAGLBSA-N 0 1 249.339 2.268 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000247433513 644638162 /nfs/dbraw/zinc/63/81/62/644638162.db2.gz MHZXDFSCDAOPMQ-CHWSQXEVSA-N 0 1 238.375 2.324 20 0 BEADMN CC(=O)C1CCN(Cc2cccc(C)n2)CC1 ZINC000092429314 644657113 /nfs/dbraw/zinc/65/71/13/644657113.db2.gz PIZPZIVJIZKTDS-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CCC(=CC(=O)N1CCN(C)CC1(C)C)CC ZINC000766622957 644667676 /nfs/dbraw/zinc/66/76/76/644667676.db2.gz LMDGRPUTDRIRJF-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC000092943555 644672241 /nfs/dbraw/zinc/67/22/41/644672241.db2.gz MNPJBINHYXQHGF-MPKXVKKWSA-N 0 1 245.322 2.469 20 0 BEADMN C[C@]1(O)CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000767018525 644672473 /nfs/dbraw/zinc/67/24/73/644672473.db2.gz MYBBEILPSMYYMM-IUCAKERBSA-N 0 1 238.158 2.027 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248334586 644674074 /nfs/dbraw/zinc/67/40/74/644674074.db2.gz GEYOYMPZHLMUIH-VWYCJHECSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1ccc(CN2CCC3(C2)OCCO3)cc1C ZINC000093013502 644674089 /nfs/dbraw/zinc/67/40/89/644674089.db2.gz YZYOKXJHIRRWFB-UHFFFAOYSA-N 0 1 247.338 2.252 20 0 BEADMN CCC/C=C\C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000769324755 644680663 /nfs/dbraw/zinc/68/06/63/644680663.db2.gz FMANKWZAKWJQOY-JYESYGNLSA-N 0 1 235.331 2.122 20 0 BEADMN CC[C@@]1(C)CN(C[C@H]2CCC=CO2)CCO1 ZINC000249049784 644711408 /nfs/dbraw/zinc/71/14/08/644711408.db2.gz XEEVQQRIQLTIDN-OLZOCXBDSA-N 0 1 225.332 2.180 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762212 644726635 /nfs/dbraw/zinc/72/66/35/644726635.db2.gz WUIFKEHFKIAICZ-SECBINFHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)[C@@H](C)CO1 ZINC000249725104 644734460 /nfs/dbraw/zinc/73/44/60/644734460.db2.gz JYKMVCBGXSFHHO-WDEREUQCSA-N 0 1 225.357 2.400 20 0 BEADMN C[C@H]1CN(CCc2cccs2)[C@@H](C)CO1 ZINC000249725102 644735654 /nfs/dbraw/zinc/73/56/54/644735654.db2.gz JYKMVCBGXSFHHO-QWRGUYRKSA-N 0 1 225.357 2.400 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1C[C@@H]1C(C)C)N(C)C ZINC000798855090 644826167 /nfs/dbraw/zinc/82/61/67/644826167.db2.gz MLOCUDRRCXSCNC-XQQFMLRXSA-N 0 1 241.375 2.408 20 0 BEADMN CCCCN(C)CN1C[C@](C)(CC)CC1=O ZINC000808136946 644874468 /nfs/dbraw/zinc/87/44/68/644874468.db2.gz LTSVLEPSIHTOFJ-CYBMUJFWSA-N 0 1 226.364 2.324 20 0 BEADMN CCCS(=O)(=O)CCN(CC)C1CCCC1 ZINC000097153355 644874600 /nfs/dbraw/zinc/87/46/00/644874600.db2.gz FALQVCVEIBNVTR-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CCC(=O)CCN1C[C@H](CC)O[C@@H](CC)C1 ZINC000817280998 644968879 /nfs/dbraw/zinc/96/88/79/644968879.db2.gz PDDXLTTUCLCSOP-STQMWFEESA-N 0 1 227.348 2.245 20 0 BEADMN CCC(=O)CCN1C[C@@H](CC)O[C@H](CC)C1 ZINC000817280997 644969598 /nfs/dbraw/zinc/96/95/98/644969598.db2.gz PDDXLTTUCLCSOP-CHWSQXEVSA-N 0 1 227.348 2.245 20 0 BEADMN Cc1nonc1CN1CC[C@@H](C2CCCC2)C1 ZINC000817282588 644969986 /nfs/dbraw/zinc/96/99/86/644969986.db2.gz HIPYKQFZKFMWGR-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN CC[N@@H+](CC(=O)NC)Cc1cccc(C2CC2)c1 ZINC000817405654 644978673 /nfs/dbraw/zinc/97/86/73/644978673.db2.gz LMLHSHBWUKDAST-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CCN(CC(=O)NC)Cc1cccc(C2CC2)c1 ZINC000817405654 644978677 /nfs/dbraw/zinc/97/86/77/644978677.db2.gz LMLHSHBWUKDAST-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCCCC1CC1 ZINC000825669923 645062572 /nfs/dbraw/zinc/06/25/72/645062572.db2.gz KLRMFBJQOBCGLD-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2ccccc2)c2ncnn21 ZINC000826888563 645069314 /nfs/dbraw/zinc/06/93/14/645069314.db2.gz INRMZLKXNBDAAG-DGCLKSJQSA-N 0 1 242.326 2.116 20 0 BEADMN CCN1CCN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC000827674180 645084787 /nfs/dbraw/zinc/08/47/87/645084787.db2.gz FOTPSSUHCYDECY-LLVKDONJSA-N 0 1 236.359 2.039 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836946368 645183101 /nfs/dbraw/zinc/18/31/01/645183101.db2.gz KWRVJRZMFYARGN-XSNHNAGMSA-N 0 1 238.375 2.285 20 0 BEADMN CCCc1ncc(CN[C@@H]2COC[C@H]2CC)o1 ZINC000926536889 645263732 /nfs/dbraw/zinc/26/37/32/645263732.db2.gz HXWKIQMPNYEWLR-ZYHUDNBSSA-N 0 1 238.331 2.142 20 0 BEADMN CCCc1ncc(CN[C@H]2COC[C@@H]2CC)o1 ZINC000926536887 645264523 /nfs/dbraw/zinc/26/45/23/645264523.db2.gz HXWKIQMPNYEWLR-JQWIXIFHSA-N 0 1 238.331 2.142 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC1CC(F)(F)C1 ZINC000926557170 645278356 /nfs/dbraw/zinc/27/83/56/645278356.db2.gz IWWAGSMPHSZJAF-SSDOTTSWSA-N 0 1 245.273 2.464 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926568050 645286656 /nfs/dbraw/zinc/28/66/56/645286656.db2.gz KDJHOYZSXBAUQU-DDHJBXDOSA-N 0 1 234.347 2.308 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000926568061 645287226 /nfs/dbraw/zinc/28/72/26/645287226.db2.gz KDJHOYZSXBAUQU-QCNOEVLYSA-N 0 1 234.347 2.308 20 0 BEADMN C[C@@H](N[C@H](C)C1(Cl)CC1)c1ccn(C)n1 ZINC000926578655 645297003 /nfs/dbraw/zinc/29/70/03/645297003.db2.gz ZAUPVEXZFCMOQC-RKDXNWHRSA-N 0 1 227.739 2.231 20 0 BEADMN C[C@H](N[C@H]1CC12CC2)c1cn2c(n1)CCCC2 ZINC000926613254 645314755 /nfs/dbraw/zinc/31/47/55/645314755.db2.gz CHFNMIROUFAYDE-JQWIXIFHSA-N 0 1 231.343 2.423 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H](C)CC(F)F ZINC000926627928 645322910 /nfs/dbraw/zinc/32/29/10/645322910.db2.gz HULZGNFGBZDCSP-RNFRBKRXSA-N 0 1 233.262 2.320 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cnn(C)n1 ZINC000926651087 645337055 /nfs/dbraw/zinc/33/70/55/645337055.db2.gz ORMNAIWBVKYWPD-OUAUKWLOSA-N 0 1 236.363 2.290 20 0 BEADMN CC[C@H]1CCC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844690774 645344086 /nfs/dbraw/zinc/34/40/86/645344086.db2.gz CFPSRJOXEAUEOB-LBPRGKRZSA-N 0 1 236.359 2.363 20 0 BEADMN CC[N@@H+](CC1CC1)CN1C(=O)CC12CCCC2 ZINC000844692775 645344842 /nfs/dbraw/zinc/34/48/42/645344842.db2.gz JIHRKFBVNYMXNW-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN C[C@H](Cc1ccccn1)N[C@H](C)c1ncco1 ZINC000926669279 645347329 /nfs/dbraw/zinc/34/73/29/645347329.db2.gz PNWOGRVGYMPOEI-GHMZBOCLSA-N 0 1 231.299 2.351 20 0 BEADMN CC[C@@H]1COC[C@@H]1NCc1noc2ccccc21 ZINC000926671410 645347521 /nfs/dbraw/zinc/34/75/21/645347521.db2.gz BEKXXFULMQPWQL-MFKMUULPSA-N 0 1 246.310 2.342 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H](C)c1ccccn1 ZINC000926674404 645349952 /nfs/dbraw/zinc/34/99/52/645349952.db2.gz DJJDNZLHHFASBQ-ZJUUUORDSA-N 0 1 246.314 2.227 20 0 BEADMN Cc1ccncc1CCN[C@H](C)c1ncco1 ZINC000926690314 645361235 /nfs/dbraw/zinc/36/12/35/645361235.db2.gz RNCNUHDRUMYIIV-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN CCSC1(CN[C@@H](C)c2nonc2C)CC1 ZINC000926709269 645372196 /nfs/dbraw/zinc/37/21/96/645372196.db2.gz GBFWICXOQPPRLL-QMMMGPOBSA-N 0 1 241.360 2.314 20 0 BEADMN C[C@@H](N[C@@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926720387 645383735 /nfs/dbraw/zinc/38/37/35/645383735.db2.gz AFKZNCMQPGLAGX-PELKAZGASA-N 0 1 224.304 2.006 20 0 BEADMN C[C@@H]1C[C@H](NCCCc2ccco2)c2ncnn21 ZINC000926728793 645388774 /nfs/dbraw/zinc/38/87/74/645388774.db2.gz SLEKCWCPAFURDA-PWSUYJOCSA-N 0 1 246.314 2.099 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2cnn(C)n2)CC1 ZINC000926727512 645388975 /nfs/dbraw/zinc/38/89/75/645388975.db2.gz ZXYWQYAIVQCNHX-JTQLQIEISA-N 0 1 222.336 2.044 20 0 BEADMN Cc1cnc(CN2CCCCC[C@@H]2CO)s1 ZINC000847018193 645418187 /nfs/dbraw/zinc/41/81/87/645418187.db2.gz WSEFDJJJBHAGDA-LLVKDONJSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nnc(OC)s1 ZINC000930225404 645456357 /nfs/dbraw/zinc/45/63/57/645456357.db2.gz BHTWSXGVUPJPIQ-YUMQZZPRSA-N 0 1 229.349 2.071 20 0 BEADMN C[C@H](N[C@H]1CCCC12CC2)c1cc(CO)on1 ZINC000926778918 645425922 /nfs/dbraw/zinc/42/59/22/645425922.db2.gz SYDRAMAVFPLUPS-CABZTGNLSA-N 0 1 236.315 2.150 20 0 BEADMN C[C@@H](NCC[C@@H]1CCSC1)c1ncco1 ZINC000926780243 645429025 /nfs/dbraw/zinc/42/90/25/645429025.db2.gz YEERHYSZRJWCHF-NXEZZACHSA-N 0 1 226.345 2.468 20 0 BEADMN C[C@@H]1C[C@H](NCCCCC2CC2)c2ncnn21 ZINC000926795786 645437752 /nfs/dbraw/zinc/43/77/52/645437752.db2.gz MAUJKBDUPAJXLS-PWSUYJOCSA-N 0 1 234.347 2.454 20 0 BEADMN C[C@@H](NCCCCC1CC1)c1cnn(C)n1 ZINC000926802169 645440249 /nfs/dbraw/zinc/44/02/49/645440249.db2.gz UDQCZNLQBFESJV-SNVBAGLBSA-N 0 1 222.336 2.046 20 0 BEADMN Cc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)no1 ZINC000848926043 645443456 /nfs/dbraw/zinc/44/34/56/645443456.db2.gz JZJJJHFVKPFQCO-UMSPYCQHSA-N 0 1 238.331 2.419 20 0 BEADMN C=C/C=C/CCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000926844397 645454671 /nfs/dbraw/zinc/45/46/71/645454671.db2.gz KUJOIRWKCMSEGD-BXXZLRJFSA-N 0 1 218.304 2.006 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)n1 ZINC000926884050 645474161 /nfs/dbraw/zinc/47/41/61/645474161.db2.gz DFVRFBOSVCVUTP-AOBWVBKOSA-N 0 1 248.374 2.302 20 0 BEADMN Cc1nonc1CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000852468593 645485954 /nfs/dbraw/zinc/48/59/54/645485954.db2.gz QVNPVWSRCMUIRW-TVQRCGJNSA-N 0 1 243.310 2.196 20 0 BEADMN Cc1cccc(Cl)c1C(=O)NCc1cnc[nH]1 ZINC000857453531 645564751 /nfs/dbraw/zinc/56/47/51/645564751.db2.gz KOXWOQTWXNAYDB-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1nccn1C ZINC000927160678 645576863 /nfs/dbraw/zinc/57/68/63/645576863.db2.gz MNLLBSJHOSRDBQ-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1ncc[nH]1 ZINC000927156963 645578286 /nfs/dbraw/zinc/57/82/86/645578286.db2.gz BVMODFFAJWXGGD-MNOVXSKESA-N 0 1 235.331 2.162 20 0 BEADMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1cnccn1 ZINC000927164589 645580024 /nfs/dbraw/zinc/58/00/24/645580024.db2.gz YHUGSBWLRVCPQP-WCQYABFASA-N 0 1 247.342 2.229 20 0 BEADMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1cnccn1 ZINC000927164588 645581122 /nfs/dbraw/zinc/58/11/22/645581122.db2.gz YHUGSBWLRVCPQP-DGCLKSJQSA-N 0 1 247.342 2.229 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1[C@H](C)C[C@H]1C ZINC000930273494 645718965 /nfs/dbraw/zinc/71/89/65/645718965.db2.gz PRSIBXCRNQJYFG-LNFKQOIKSA-N 0 1 213.321 2.057 20 0 BEADMN c1cnc(CNC2([C@H]3CCCCO3)CCC2)cn1 ZINC000865855781 645725268 /nfs/dbraw/zinc/72/52/68/645725268.db2.gz BBJXSKUUXJPLNB-CYBMUJFWSA-N 0 1 247.342 2.058 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NC[C@@H]1CCN1C ZINC000928557486 645815532 /nfs/dbraw/zinc/81/55/32/645815532.db2.gz SYOKDTQKYTVHKS-WCQYABFASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1conc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000878571737 645816778 /nfs/dbraw/zinc/81/67/78/645816778.db2.gz ACQKRZPJCPSPPU-QWHCGFSZSA-N 0 1 236.315 2.126 20 0 BEADMN Cc1nc2c(n1CC[C@@H](O)C(C)C)CCCC2 ZINC000882173336 645840074 /nfs/dbraw/zinc/84/00/74/645840074.db2.gz FUMREYNMZPJLSL-CQSZACIVSA-N 0 1 236.359 2.477 20 0 BEADMN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)C)cn1 ZINC000928617257 645847790 /nfs/dbraw/zinc/84/77/90/645847790.db2.gz UGDYYCHSXHHGFR-SNVBAGLBSA-N 0 1 235.331 2.094 20 0 BEADMN CCc1cc(CNCc2cccc(C#N)c2)[nH]n1 ZINC000074373540 645854573 /nfs/dbraw/zinc/85/45/73/645854573.db2.gz SEJOTAMVOZNYHE-UHFFFAOYSA-N 0 1 240.310 2.134 20 0 BEADMN CCc1cc(CNCc2cccc(C#N)c2)n[nH]1 ZINC000074373540 645854576 /nfs/dbraw/zinc/85/45/76/645854576.db2.gz SEJOTAMVOZNYHE-UHFFFAOYSA-N 0 1 240.310 2.134 20 0 BEADMN F[C@@H]1CCN(C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886223623 645883498 /nfs/dbraw/zinc/88/34/98/645883498.db2.gz OEZBJZZFWXFHJM-VXGBXAGGSA-N 0 1 227.323 2.380 20 0 BEADMN Cc1cnccc1CCN[C@@H](C)c1ncco1 ZINC000886538063 645887796 /nfs/dbraw/zinc/88/77/96/645887796.db2.gz AUZJYQKPCCBLIG-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN C(NC1(C2CC2)CCC1)c1nc(CC2CC2)no1 ZINC000887148589 645894287 /nfs/dbraw/zinc/89/42/87/645894287.db2.gz LAVLDERPNWWGRC-UHFFFAOYSA-N 0 1 247.342 2.444 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C)/C=C\Cl)c1C ZINC000928935515 645898954 /nfs/dbraw/zinc/89/89/54/645898954.db2.gz ZIKKIKCWOOFFBE-WAYWQWQTSA-N 0 1 241.722 2.287 20 0 BEADMN COC(=O)/C=C(/C)CN1CCc2ccccc2C1 ZINC000929124307 645958842 /nfs/dbraw/zinc/95/88/42/645958842.db2.gz HPLKWGXBXMYJHE-XFXZXTDPSA-N 0 1 245.322 2.164 20 0 BEADMN C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H](C)CO1 ZINC000929183445 645989872 /nfs/dbraw/zinc/98/98/72/645989872.db2.gz WWJNCKDFAZQROU-PZWNZHSQSA-N 0 1 245.313 2.387 20 0 BEADMN COC(=O)c1cncc(CN2CCC[C@H](C)C2)c1 ZINC000929211806 646006210 /nfs/dbraw/zinc/00/62/10/646006210.db2.gz LURYYLFZBYSKMN-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2(C)CC=CC2)n1 ZINC000924202495 646006317 /nfs/dbraw/zinc/00/63/17/646006317.db2.gz UZMSDFZVDVQWRO-UHFFFAOYSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)C2(C)CC=CC2)n[nH]1 ZINC000924202495 646006323 /nfs/dbraw/zinc/00/63/23/646006323.db2.gz UZMSDFZVDVQWRO-UHFFFAOYSA-N 0 1 249.314 2.328 20 0 BEADMN CN(Cc1cnn(CCF)c1)Cc1ccccc1 ZINC000929212625 646007928 /nfs/dbraw/zinc/00/79/28/646007928.db2.gz RLYBJEHDCMUVRG-UHFFFAOYSA-N 0 1 247.317 2.485 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@H](C)C1 ZINC000929212138 646010257 /nfs/dbraw/zinc/01/02/57/646010257.db2.gz QILLECXUNFDRCR-WDEREUQCSA-N 0 1 205.305 2.270 20 0 BEADMN CCc1ncc(CN2CCC(C)CC2)o1 ZINC000929215573 646014837 /nfs/dbraw/zinc/01/48/37/646014837.db2.gz HSUULTAAPODNMB-UHFFFAOYSA-N 0 1 208.305 2.469 20 0 BEADMN CCC[C@@H](C)N(C)Cc1noc2c1COCC2 ZINC000929252671 646029896 /nfs/dbraw/zinc/02/98/96/646029896.db2.gz SDPQHKIEIYAGRK-SNVBAGLBSA-N 0 1 238.331 2.368 20 0 BEADMN CCCCCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000924538726 646056883 /nfs/dbraw/zinc/05/68/83/646056883.db2.gz MDOHDOZNOKBIMR-QWRGUYRKSA-N 0 1 222.336 2.454 20 0 BEADMN COC/C(C)=C\CN1CCOc2ccccc2C1 ZINC000929314379 646074709 /nfs/dbraw/zinc/07/47/09/646074709.db2.gz PTKJHRQGQVYECP-QPEQYQDCSA-N 0 1 247.338 2.474 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cnnn2C)cc1F ZINC000924591407 646075099 /nfs/dbraw/zinc/07/50/99/646075099.db2.gz WGCQXROHXSOOJW-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN FCc1ccccc1CN1CCN(C2CC2)CC1 ZINC000929361227 646095923 /nfs/dbraw/zinc/09/59/23/646095923.db2.gz OUBAKCRTHYGIOD-UHFFFAOYSA-N 0 1 248.345 2.436 20 0 BEADMN Cc1ccsc1CN[C@H](C)c1cnnn1C ZINC000924794702 646108699 /nfs/dbraw/zinc/10/86/99/646108699.db2.gz SLKKYYKNHIXSHP-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H](NCCC(C)(C)C)c1cc(CO)on1 ZINC000924793295 646108771 /nfs/dbraw/zinc/10/87/71/646108771.db2.gz QHZTUXLFWRPTOG-SECBINFHSA-N 0 1 226.320 2.254 20 0 BEADMN Cc1ccsc1CN[C@@H](C)c1cnnn1C ZINC000924794704 646109140 /nfs/dbraw/zinc/10/91/40/646109140.db2.gz SLKKYYKNHIXSHP-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN CCN(CCOC1CC1)Cc1ccoc1 ZINC000929477661 646133519 /nfs/dbraw/zinc/13/35/19/646133519.db2.gz FBLDTSGIMBXFGJ-UHFFFAOYSA-N 0 1 209.289 2.281 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCCOC1 ZINC000924988672 646152824 /nfs/dbraw/zinc/15/28/24/646152824.db2.gz SUCFXQTVIWXQJV-GHMZBOCLSA-N 0 1 236.315 2.129 20 0 BEADMN C(c1noc2c1COCC2)N1CCC[C@@H]1C1CC1 ZINC000929511942 646159404 /nfs/dbraw/zinc/15/94/04/646159404.db2.gz RYCZNZFQPMILEU-CYBMUJFWSA-N 0 1 248.326 2.122 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCS[C@H](C)C1 ZINC000929517258 646168836 /nfs/dbraw/zinc/16/88/36/646168836.db2.gz GXWZZDSHIBGJRL-AXFHLTTASA-N 0 1 245.388 2.011 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CCS[C@H](C)C1 ZINC000929517258 646168840 /nfs/dbraw/zinc/16/88/40/646168840.db2.gz GXWZZDSHIBGJRL-AXFHLTTASA-N 0 1 245.388 2.011 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCCSC)n1 ZINC000925096503 646182838 /nfs/dbraw/zinc/18/28/38/646182838.db2.gz YSLNUQFWLZEHGL-VIFPVBQESA-N 0 1 242.392 2.010 20 0 BEADMN C[C@H](NC[C@@H]1CCCn2ccnc21)c1ncco1 ZINC000925173542 646198701 /nfs/dbraw/zinc/19/87/01/646198701.db2.gz YRYBGEQBBGKOBG-QWRGUYRKSA-N 0 1 246.314 2.099 20 0 BEADMN CO[C@H](CN[C@H](C)c1cn(C)cn1)C(C)(C)C ZINC000925187074 646202305 /nfs/dbraw/zinc/20/23/05/646202305.db2.gz BGAQPBNQHNFNTM-ZYHUDNBSSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1nonc1[C@H](C)NCCCC(F)(F)F ZINC000925191705 646203428 /nfs/dbraw/zinc/20/34/28/646203428.db2.gz RAGZOLMPIYBCPV-LURJTMIESA-N 0 1 237.225 2.371 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)C[C@@H](C)O1 ZINC000929618865 646204807 /nfs/dbraw/zinc/20/48/07/646204807.db2.gz CVDGINODOICIDQ-RLLAQXBXSA-N 0 1 227.348 2.078 20 0 BEADMN CC[C@@H]1C[C@H]1CN(CC(N)=O)Cc1ccccc1 ZINC000929628484 646209719 /nfs/dbraw/zinc/20/97/19/646209719.db2.gz SFVWLIJEBGTATO-KGLIPLIRSA-N 0 1 246.354 2.020 20 0 BEADMN CC(C)[C@H]1OCC[C@H]1CN[C@@H](C)c1ncco1 ZINC000925219657 646212110 /nfs/dbraw/zinc/21/21/10/646212110.db2.gz FGXMAWNRPQJZIF-SDDRHHMPSA-N 0 1 238.331 2.386 20 0 BEADMN CC(C)c1csc(CN[C@@H]2COC[C@@H]2C)n1 ZINC000925282993 646231516 /nfs/dbraw/zinc/23/15/16/646231516.db2.gz MQWYLISBTNPGIH-VHSXEESVSA-N 0 1 240.372 2.391 20 0 BEADMN CC(C)c1csc(CN[C@@H]2COC[C@H]2C)n1 ZINC000925282991 646231629 /nfs/dbraw/zinc/23/16/29/646231629.db2.gz MQWYLISBTNPGIH-NXEZZACHSA-N 0 1 240.372 2.391 20 0 BEADMN Cc1nc(C)c(CN2C[C@@H](C)S[C@@H](C)C2)[nH]1 ZINC000929725907 646275392 /nfs/dbraw/zinc/27/53/92/646275392.db2.gz NEMZAKICJHRPBZ-DTORHVGOSA-N 0 1 239.388 2.352 20 0 BEADMN COC(=O)c1cncc(CN2CCC(C)(C)C2)c1 ZINC000929748390 646279952 /nfs/dbraw/zinc/27/99/52/646279952.db2.gz JGBGWRFIXFQTGP-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN CC[C@H]1CN(Cc2[nH]c(C)nc2C)CCS1 ZINC000929753334 646284143 /nfs/dbraw/zinc/28/41/43/646284143.db2.gz NRSYYLHGNQKVGU-NSHDSACASA-N 0 1 239.388 2.354 20 0 BEADMN CC(C)n1cc([C@H](C)N[C@@H]2CCSC2)nn1 ZINC000925482527 646294021 /nfs/dbraw/zinc/29/40/21/646294021.db2.gz VRLISBAQMRSFOR-VHSXEESVSA-N 0 1 240.376 2.015 20 0 BEADMN C[C@H](N[C@@H](CO)C1CCCCC1)c1ncco1 ZINC000925492781 646298944 /nfs/dbraw/zinc/29/89/44/646298944.db2.gz NFMRHSXINAAIKI-JQWIXIFHSA-N 0 1 238.331 2.266 20 0 BEADMN CCC1(CN[C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000925498950 646303506 /nfs/dbraw/zinc/30/35/06/646303506.db2.gz UKCHFCDUWROVSN-VHSXEESVSA-N 0 1 220.320 2.064 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000925545159 646317502 /nfs/dbraw/zinc/31/75/02/646317502.db2.gz CNKFGTXUDULHQO-WPRPVWTQSA-N 0 1 238.356 2.145 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1noc2c1COCC2 ZINC000929827634 646345073 /nfs/dbraw/zinc/34/50/73/646345073.db2.gz FAUJZAQDHJADGK-UWVGGRQHSA-N 0 1 236.315 2.120 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)CC(C)C ZINC000925601110 646353553 /nfs/dbraw/zinc/35/35/53/646353553.db2.gz KIRNOUPTGNGNIK-RKDXNWHRSA-N 0 1 211.309 2.463 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1CC=CCC1 ZINC000929917427 646373405 /nfs/dbraw/zinc/37/34/05/646373405.db2.gz YIRFOMILYAGZFY-LLVKDONJSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1CC=CCC1 ZINC000929917429 646373701 /nfs/dbraw/zinc/37/37/01/646373701.db2.gz YIRFOMILYAGZFY-NSHDSACASA-N 0 1 233.315 2.081 20 0 BEADMN Cc1cncc(CN[C@@H](C)c2ccnnc2)c1 ZINC000925644846 646384499 /nfs/dbraw/zinc/38/44/99/646384499.db2.gz LZSLJHREOWYPQW-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN Cn1cnc(CN[C@H](C2CCC2)C2CCCC2)n1 ZINC000925671508 646400342 /nfs/dbraw/zinc/40/03/42/646400342.db2.gz CUSWELKPTJJRQC-AWEZNQCLSA-N 0 1 248.374 2.264 20 0 BEADMN CC[C@H](CSC)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000925691011 646412297 /nfs/dbraw/zinc/41/22/97/646412297.db2.gz LDAPQSZVFIWSGM-BBBLOLIVSA-N 0 1 240.376 2.015 20 0 BEADMN CC[C@H](CSC)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000925691013 646413605 /nfs/dbraw/zinc/41/36/05/646413605.db2.gz LDAPQSZVFIWSGM-IVZWLZJFSA-N 0 1 240.376 2.015 20 0 BEADMN c1cncc(CCCN2CCOCC23CCC3)c1 ZINC000930065453 646416998 /nfs/dbraw/zinc/41/69/98/646416998.db2.gz PBHXAMBAXRIJLQ-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN FCc1ccccc1CN1CCc2cn[nH]c2C1 ZINC000930067818 646417314 /nfs/dbraw/zinc/41/73/14/646417314.db2.gz ASYLYJCEQIFIAJ-UHFFFAOYSA-N 0 1 245.301 2.438 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCc2cn[nH]c2C1 ZINC000930068971 646420407 /nfs/dbraw/zinc/42/04/07/646420407.db2.gz MQQUUMVPGYPZKF-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN CCc1onc(C)c1CN(C)[C@H]1CCSC1 ZINC000930094243 646432048 /nfs/dbraw/zinc/43/20/48/646432048.db2.gz QENNOIFSPOOFBT-JTQLQIEISA-N 0 1 240.372 2.483 20 0 BEADMN c1nc(C2CC2)oc1CN1CC[C@@H]2C[C@@H]21 ZINC000930121928 646445094 /nfs/dbraw/zinc/44/50/94/646445094.db2.gz KMFYVMCSEXQESJ-KOLCDFICSA-N 0 1 204.273 2.146 20 0 BEADMN CC[C@@]1(C)COCCN1C/C=C(/C)COC ZINC000930124385 646446054 /nfs/dbraw/zinc/44/60/54/646446054.db2.gz SQESMPJPMTWVFJ-TZQNSNDFSA-N 0 1 227.348 2.080 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)C1(C)CC1 ZINC000925776710 646474512 /nfs/dbraw/zinc/47/45/12/646474512.db2.gz HYSAHBNBHHIFSW-IONNQARKSA-N 0 1 209.293 2.217 20 0 BEADMN COC1(OC)CC[C@@H]1NC1(c2ccccc2)CC1 ZINC000925825850 646498090 /nfs/dbraw/zinc/49/80/90/646498090.db2.gz IRTLHEYDJLDGCV-ZDUSSCGKSA-N 0 1 247.338 2.417 20 0 BEADMN CCCc1ccc([C@H](C)N[C@@H]2CNOC2)cc1 ZINC000925864186 646516962 /nfs/dbraw/zinc/51/69/62/646516962.db2.gz GSATYONXMYDPHA-SMDDNHRTSA-N 0 1 234.343 2.193 20 0 BEADMN CCCc1ccc([C@@H](C)N[C@@H]2CNOC2)cc1 ZINC000925864185 646517267 /nfs/dbraw/zinc/51/72/67/646517267.db2.gz GSATYONXMYDPHA-BXUZGUMPSA-N 0 1 234.343 2.193 20 0 BEADMN Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@H]1CNOC1 ZINC000925870266 646522126 /nfs/dbraw/zinc/52/21/26/646522126.db2.gz CHQRRQUKFKQPDD-GVXVVHGQSA-N 0 1 232.327 2.036 20 0 BEADMN CC(C)n1cc([C@H](C)NC2(C3CC3)CC2)nn1 ZINC000925895995 646535642 /nfs/dbraw/zinc/53/56/42/646535642.db2.gz GQTKBZXEUDVIRE-JTQLQIEISA-N 0 1 234.347 2.452 20 0 BEADMN COCC1(N[C@@H](C)c2cccc3c2OCO3)CC1 ZINC000925924668 646543135 /nfs/dbraw/zinc/54/31/35/646543135.db2.gz YFVNLSDRYFTDMX-JTQLQIEISA-N 0 1 249.310 2.245 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCC(F)(F)C2)c2ncnn21 ZINC000925929843 646543709 /nfs/dbraw/zinc/54/37/09/646543709.db2.gz SDDRKEDKGIRNSY-IWSPIJDZSA-N 0 1 242.273 2.061 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@H](C)C1 ZINC000926233929 646603387 /nfs/dbraw/zinc/60/33/87/646603387.db2.gz YZGBVGLAINEHDM-NRPADANISA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC1(C)CC1 ZINC000926327242 646617431 /nfs/dbraw/zinc/61/74/31/646617431.db2.gz UJTRZTGODLNMHI-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN C[C@@H](NCCF)c1cnn(C2CCC2)c1 ZINC000926348828 646623554 /nfs/dbraw/zinc/62/35/54/646623554.db2.gz QCLTXFQTRRRFHE-SECBINFHSA-N 0 1 211.284 2.228 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1cnn(C)n1 ZINC000926424031 646635235 /nfs/dbraw/zinc/63/52/35/646635235.db2.gz UEOGWOZUVMJGHJ-RISCZKNCSA-N 0 1 248.374 2.430 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCC1(C)C ZINC000926424470 646635700 /nfs/dbraw/zinc/63/57/00/646635700.db2.gz QGLGXHIYWYWBNS-IONNQARKSA-N 0 1 209.293 2.217 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2COC[C@@H]2C)o1 ZINC000926477323 646655211 /nfs/dbraw/zinc/65/52/11/646655211.db2.gz UPVISVSJBXRFHD-GXSJLCMTSA-N 0 1 238.331 2.060 20 0 BEADMN CCn1nc(C)c([C@H](C)NCC[C@H](C)F)n1 ZINC000926485164 646656561 /nfs/dbraw/zinc/65/65/61/646656561.db2.gz JJDNMNHXAMZBAQ-IUCAKERBSA-N 0 1 228.315 2.005 20 0 BEADMN CC[C@@H](CCO)NCc1nc(C(C)(C)C)co1 ZINC000724406880 711578219 /nfs/dbraw/zinc/57/82/19/711578219.db2.gz AHNUTBJJTXIZLV-JTQLQIEISA-N 0 1 240.347 2.223 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C)C(C)(C)C ZINC000393643535 711601706 /nfs/dbraw/zinc/60/17/06/711601706.db2.gz BNQXBUPTADVECZ-HBNTYKKESA-N 0 1 227.348 2.464 20 0 BEADMN Cc1ccc(N(C)Cc2cnc[nH]2)cc1 ZINC000724780197 711613962 /nfs/dbraw/zinc/61/39/62/711613962.db2.gz BXNJZBVMMYOXBO-UHFFFAOYSA-N 0 1 201.273 2.355 20 0 BEADMN CC(C)(C)OC(=O)[C@H]1CCN(C/C=C\Cl)C1 ZINC000255569235 711617472 /nfs/dbraw/zinc/61/74/72/711617472.db2.gz MYEPDCYIXNPABM-OAQKJQOQSA-N 0 1 245.750 2.403 20 0 BEADMN C[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1C(=O)[O-] ZINC000394527184 711688695 /nfs/dbraw/zinc/68/86/95/711688695.db2.gz YYBRMMIRWUSVFO-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)(O)[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000721884076 711811003 /nfs/dbraw/zinc/81/10/03/711811003.db2.gz VXHMCSYPXCFKLQ-QMMMGPOBSA-N 0 1 238.158 2.398 20 0 BEADMN CC[C@@H]1[C@@H](CO)CCN1C/C(Cl)=C/Cl ZINC000385911125 711832037 /nfs/dbraw/zinc/83/20/37/711832037.db2.gz RAGREJYIJZNYLZ-ZOGXEDGJSA-N 0 1 238.158 2.398 20 0 BEADMN CCc1nnc(CNC[C@H]2CCCS2)s1 ZINC000702676690 711871032 /nfs/dbraw/zinc/87/10/32/711871032.db2.gz JBKGCZUYVMDCAD-MRVPVSSYSA-N 0 1 243.401 2.086 20 0 BEADMN CCCS(=O)(=O)CCN1CCCCCCC1 ZINC000132690968 711978764 /nfs/dbraw/zinc/97/87/64/711978764.db2.gz HNHFHEAUPKVJAO-UHFFFAOYSA-N 0 1 247.404 2.077 20 0 BEADMN C[C@@H](CC1CCC1)NCc1ncccn1 ZINC000702398268 712048765 /nfs/dbraw/zinc/04/87/65/712048765.db2.gz XQHFWSSFFGRSMU-JTQLQIEISA-N 0 1 205.305 2.145 20 0 BEADMN CCc1nnc(CNC2(C)CC=CC2)s1 ZINC000702694778 712060024 /nfs/dbraw/zinc/06/00/24/712060024.db2.gz MTKFBRPKIZFEHU-UHFFFAOYSA-N 0 1 223.345 2.299 20 0 BEADMN CCc1nnc(CN[C@H](C)CCSC)s1 ZINC000702683591 712059468 /nfs/dbraw/zinc/05/94/68/712059468.db2.gz YBEBRZMUIHTDDB-MRVPVSSYSA-N 0 1 245.417 2.332 20 0 BEADMN CCOC(=O)/C=C\CN1CCCC(F)(F)CC1 ZINC000702789624 712060846 /nfs/dbraw/zinc/06/08/46/712060846.db2.gz MSGAUBLKJZVKTJ-HYXAFXHYSA-N 0 1 247.285 2.227 20 0 BEADMN CC[C@@H](N[C@@H]1CNOC1)c1ccc(Cl)cc1 ZINC000703333958 712070706 /nfs/dbraw/zinc/07/07/06/712070706.db2.gz KCZAVRXPJHYRGK-VXGBXAGGSA-N 0 1 240.734 2.284 20 0 BEADMN Cc1nnc(CNCCC2(F)CCC2)s1 ZINC000705294033 712127853 /nfs/dbraw/zinc/12/78/53/712127853.db2.gz ASZBODMPGDRINC-UHFFFAOYSA-N 0 1 229.324 2.218 20 0 BEADMN CCC1(O)CCN(Cc2ccoc2)CC1 ZINC000707311849 712169031 /nfs/dbraw/zinc/16/90/31/712169031.db2.gz KXVROPDCQAIONF-UHFFFAOYSA-N 0 1 209.289 2.017 20 0 BEADMN C[C@H](N[C@@H]1CCC(F)(F)C1)c1cn(C)cn1 ZINC000709986065 712237072 /nfs/dbraw/zinc/23/70/72/712237072.db2.gz CFRUFQFGMVAQFY-DTWKUNHWSA-N 0 1 229.274 2.259 20 0 BEADMN CC1(C)CC[C@H](CNCc2nccs2)OC1 ZINC000711389414 712296853 /nfs/dbraw/zinc/29/68/53/712296853.db2.gz IYDAGXHEXPUDQC-SNVBAGLBSA-N 0 1 240.372 2.438 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000711446024 712301012 /nfs/dbraw/zinc/30/10/12/712301012.db2.gz BDQPDPROHHAJAW-MNOVXSKESA-N 0 1 231.311 2.311 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000711473317 712302985 /nfs/dbraw/zinc/30/29/85/712302985.db2.gz DLGCCIFQOAGFLI-MNOVXSKESA-N 0 1 231.311 2.167 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1nccn1C1CC1 ZINC000711817099 712332860 /nfs/dbraw/zinc/33/28/60/712332860.db2.gz KPOMBKCPBZDUTL-MWLCHTKSSA-N 0 1 237.372 2.059 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000723076905 712391447 /nfs/dbraw/zinc/39/14/47/712391447.db2.gz HSROPOKCVIJIDM-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CCC/C=C\C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795337112 712424276 /nfs/dbraw/zinc/42/42/76/712424276.db2.gz UMFNCSDXNBOCPC-SREVYHEPSA-N 0 1 237.303 2.328 20 0 BEADMN CCC/C=C\C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795337112 712424278 /nfs/dbraw/zinc/42/42/78/712424278.db2.gz UMFNCSDXNBOCPC-SREVYHEPSA-N 0 1 237.303 2.328 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000713705887 712469627 /nfs/dbraw/zinc/46/96/27/712469627.db2.gz ZUPGDHAFUNCKJK-UFFNRZRYSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000713710825 712469937 /nfs/dbraw/zinc/46/99/37/712469937.db2.gz JVSOLQUGJUOSRQ-KBIXYVOKSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C\CC[N@H+](CCC(=O)[O-])CC1CC1 ZINC000713715682 712470002 /nfs/dbraw/zinc/47/00/02/712470002.db2.gz GBSSKNVETFXRKA-ARJAWSKDSA-N 0 1 223.316 2.305 20 0 BEADMN C=C/C=C\CCNCc1nnc(C)s1 ZINC000713763752 712471833 /nfs/dbraw/zinc/47/18/33/712471833.db2.gz OOSXIJADKLNTGT-PLNGDYQASA-N 0 1 209.318 2.068 20 0 BEADMN CC[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@H](C)C(=O)[O-] ZINC000714371660 712484430 /nfs/dbraw/zinc/48/44/30/712484430.db2.gz JLFVTQXAHBIBMZ-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN CCCn1cc([C@@H](C)NC[C@H](C)SC)nn1 ZINC000715894179 712540733 /nfs/dbraw/zinc/54/07/33/712540733.db2.gz IDFJSOVSPHRTCY-VHSXEESVSA-N 0 1 242.392 2.090 20 0 BEADMN CCCn1cc([C@H](C)NCCCSC)nn1 ZINC000715894721 712540786 /nfs/dbraw/zinc/54/07/86/712540786.db2.gz JVHKDDWGTFTMKY-JTQLQIEISA-N 0 1 242.392 2.092 20 0 BEADMN Cc1cc(CNC(=O)C(C)(C)C(C)(F)F)n[nH]1 ZINC000716183920 712552886 /nfs/dbraw/zinc/55/28/86/712552886.db2.gz KZNXCVMGEUPULG-UHFFFAOYSA-N 0 1 245.273 2.016 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)s1 ZINC000716637321 712568480 /nfs/dbraw/zinc/56/84/80/712568480.db2.gz LIJQPGGXNBFEMT-ASXGKARISA-N 0 1 237.372 2.228 20 0 BEADMN Cc1ccccc1[C@@H](CO)NC/C=C/Cl ZINC000379962159 712637056 /nfs/dbraw/zinc/63/70/56/712637056.db2.gz XGBRCNVENSALRQ-RPTYSRGTSA-N 0 1 225.719 2.371 20 0 BEADMN C[C@@H](NCc1nc(C#N)cs1)C1(C)CC1 ZINC000380178022 712706112 /nfs/dbraw/zinc/70/61/12/712706112.db2.gz FQCADBRUMYXXAC-MRVPVSSYSA-N 0 1 221.329 2.293 20 0 BEADMN Cc1coc(CNCC2=CCCOC2)c1 ZINC000718059217 712739782 /nfs/dbraw/zinc/73/97/82/712739782.db2.gz RUURHIWMUUUYCF-UHFFFAOYSA-N 0 1 207.273 2.024 20 0 BEADMN C[C@@H]1[C@H](Nc2ncccc2Cl)CCN1C ZINC000719570524 712811318 /nfs/dbraw/zinc/81/13/18/712811318.db2.gz OQOKXUNLWUAKQU-PSASIEDQSA-N 0 1 225.723 2.240 20 0 BEADMN CCOC[C@@H](NCc1nocc1C)C(C)C ZINC000720345951 712832508 /nfs/dbraw/zinc/83/25/08/712832508.db2.gz VFIGBWVIVGGQAC-GFCCVEGCSA-N 0 1 226.320 2.134 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cccnc1Cl ZINC000381396840 710632285 /nfs/dbraw/zinc/63/22/85/710632285.db2.gz OZMZYJMFMWUHNT-SNVBAGLBSA-N 0 1 240.734 2.080 20 0 BEADMN ClC1(Cl)C[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000381495998 710646344 /nfs/dbraw/zinc/64/63/44/710646344.db2.gz BSYAOTJAPBINEQ-RITPCOANSA-N 0 1 248.113 2.155 20 0 BEADMN Cc1occc1CNCc1ccc(F)nc1 ZINC000381496752 710648699 /nfs/dbraw/zinc/64/86/99/710648699.db2.gz MRUXLNQNVJQRMG-UHFFFAOYSA-N 0 1 220.247 2.412 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H](O)CC(C)C)no1 ZINC000381530284 710651672 /nfs/dbraw/zinc/65/16/72/710651672.db2.gz YRFVXNWTVOZTDW-GHMZBOCLSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](O)CC(C)C)no1 ZINC000381530294 710652065 /nfs/dbraw/zinc/65/20/65/710652065.db2.gz YRFVXNWTVOZTDW-QWRGUYRKSA-N 0 1 226.320 2.041 20 0 BEADMN CC(C)(CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C)C(=O)[O-] ZINC000380426880 712900651 /nfs/dbraw/zinc/90/06/51/712900651.db2.gz UBBJUXNLWZSFAQ-AOOOYVTPSA-N 0 1 225.332 2.075 20 0 BEADMN CNc1ncc(C(=O)OCCC(C)(C)C)s1 ZINC000381780615 710712756 /nfs/dbraw/zinc/71/27/56/710712756.db2.gz XVENYLFSYAQUGI-UHFFFAOYSA-N 0 1 242.344 2.200 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000723075721 710725137 /nfs/dbraw/zinc/72/51/37/710725137.db2.gz CWUXRNPOCSNJAH-TUAOUCFPSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000723793113 710730896 /nfs/dbraw/zinc/73/08/96/710730896.db2.gz NIHVJQXVXBISHV-FOGDFJRCSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@]1(C[N@H+]2CCC[C@H]2CC(=O)[O-])CCCS1 ZINC000382012955 710765768 /nfs/dbraw/zinc/76/57/68/710765768.db2.gz NEWFTKOXDOIPIH-JQWIXIFHSA-N 0 1 243.372 2.211 20 0 BEADMN CN(C(=O)C1=CCCC1)C1CN(CC2CCC2)C1 ZINC001042607960 710795086 /nfs/dbraw/zinc/79/50/86/710795086.db2.gz ZSWYNFTYCSTHMY-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1nnsc1CNCCNc1ccccc1 ZINC000384179908 710806166 /nfs/dbraw/zinc/80/61/66/710806166.db2.gz PROFGHINOXOTOG-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN C[C@H](CC1CC1)NC(=O)c1n[nH]c2ccccc21 ZINC000078570741 710913869 /nfs/dbraw/zinc/91/38/69/710913869.db2.gz JXAFFKAUQUMDDI-SECBINFHSA-N 0 1 243.310 2.481 20 0 BEADMN FC1(F)CCC[C@H]1NC[C@@H]1CCCOC1 ZINC000389933293 711098455 /nfs/dbraw/zinc/09/84/55/711098455.db2.gz LVXWXOBJJALVOA-VHSXEESVSA-N 0 1 219.275 2.190 20 0 BEADMN CCCCCNCc1nnc(CC)s1 ZINC000391777260 711140058 /nfs/dbraw/zinc/14/00/58/711140058.db2.gz KLWFCDFWBHYVLM-UHFFFAOYSA-N 0 1 213.350 2.380 20 0 BEADMN Cc1nnc(CNCCc2cccs2)s1 ZINC000391916272 711142130 /nfs/dbraw/zinc/14/21/30/711142130.db2.gz ADNGAOTXKKESAF-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN C/C=C/C=C\c1nc([C@H](N)C(C)C)no1 ZINC000393753032 711172217 /nfs/dbraw/zinc/17/22/17/711172217.db2.gz FSUAPPGTOOSNFX-DRPLVDAUSA-N 0 1 207.277 2.315 20 0 BEADMN FC(F)[C@H]1C[C@@H]1NCc1cccnc1Cl ZINC000393977877 711180630 /nfs/dbraw/zinc/18/06/30/711180630.db2.gz XVHCSMPFYUSGCN-YUMQZZPRSA-N 0 1 232.661 2.478 20 0 BEADMN CCc1cnc(C[N@@H+](CC)CCC(=O)[O-])s1 ZINC000394708762 711197067 /nfs/dbraw/zinc/19/70/67/711197067.db2.gz PYJLERGOPAZWSH-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCCC[C@@H]1C ZINC000394793103 711197893 /nfs/dbraw/zinc/19/78/93/711197893.db2.gz OERFNLTXYPNNQC-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN ClC1(Cl)C[C@@H]1CCNCc1cocn1 ZINC000399100737 711421936 /nfs/dbraw/zinc/42/19/36/711421936.db2.gz FIASIBPEMRMTHZ-ZETCQYMHSA-N 0 1 235.114 2.348 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000380898682 710593598 /nfs/dbraw/zinc/59/35/98/710593598.db2.gz URCFLNFJJQTPKQ-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCSC(C)(C)C ZINC000380901232 710593948 /nfs/dbraw/zinc/59/39/48/710593948.db2.gz XHSGCVLZTSUFCR-NXEZZACHSA-N 0 1 245.388 2.313 20 0 BEADMN CN[C@H](C)c1cn(CCSC(C)(C)C)nn1 ZINC000381301730 710618820 /nfs/dbraw/zinc/61/88/20/710618820.db2.gz FJXNVTQEIWUMRC-SECBINFHSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@H](NC1CCC(C)(O)CC1)c1cscn1 ZINC000381444063 710637672 /nfs/dbraw/zinc/63/76/72/710637672.db2.gz FHKVSHCKHTVAED-BMQDGWLCSA-N 0 1 240.372 2.487 20 0 BEADMN CC(C)(NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000900402103 710843366 /nfs/dbraw/zinc/84/33/66/710843366.db2.gz OJZBBUOGIPMEKJ-UHFFFAOYSA-N 0 1 243.310 2.004 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000383609055 710985067 /nfs/dbraw/zinc/98/50/67/710985067.db2.gz MDLMMSCQFMZYHU-MFKMUULPSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H](c1ccccc1)N(C)Cc1cnc(N)cn1 ZINC000383636863 710985230 /nfs/dbraw/zinc/98/52/30/710985230.db2.gz LVPQXBCKSMYBLY-LLVKDONJSA-N 0 1 242.326 2.252 20 0 BEADMN CCCN(CC)CN1CCSC1=S ZINC000388340457 711058753 /nfs/dbraw/zinc/05/87/53/711058753.db2.gz JOAPKTZWZZVTBL-UHFFFAOYSA-N 0 1 218.391 2.010 20 0 BEADMN Cc1nc([C@H](C)NCc2ccccc2C)n[nH]1 ZINC000392376507 711145184 /nfs/dbraw/zinc/14/51/84/711145184.db2.gz PEEOQBUHBAIXDX-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000392442108 711147081 /nfs/dbraw/zinc/14/70/81/711147081.db2.gz BFJTZIRYJODRGG-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc([C@H](C)NCc2ccccc2F)n[nH]1 ZINC000392471101 711149272 /nfs/dbraw/zinc/14/92/72/711149272.db2.gz UDOLSNUBLXYYNI-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394620609 711194710 /nfs/dbraw/zinc/19/47/10/711194710.db2.gz FBURGEBSDUMCPF-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCCC1CC1 ZINC000394613257 711194752 /nfs/dbraw/zinc/19/47/52/711194752.db2.gz BUSLUYPPPYEVEM-GFCCVEGCSA-N 0 1 211.305 2.116 20 0 BEADMN FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398352366 711407522 /nfs/dbraw/zinc/40/75/22/711407522.db2.gz GDJDYFURTRJVMM-SFYZADRCSA-N 0 1 248.252 2.015 20 0 BEADMN C/C(=C\C[N@@H+](C)CCC(C)(C)C)C(=O)[O-] ZINC000399701516 711433489 /nfs/dbraw/zinc/43/34/89/711433489.db2.gz IMPNYTZZDVNZIN-UXBLZVDNSA-N 0 1 213.321 2.385 20 0 BEADMN C[C@@H]1CC[C@H](NCc2cnsn2)[C@H](C)C1 ZINC000399722491 711433561 /nfs/dbraw/zinc/43/35/61/711433561.db2.gz FXKGJABHQLHFGX-KKZNHRDASA-N 0 1 225.361 2.452 20 0 BEADMN C/C(=C/C[N@@H+](C)CCC(C)(C)C)C(=O)[O-] ZINC000399701514 711434341 /nfs/dbraw/zinc/43/43/41/711434341.db2.gz IMPNYTZZDVNZIN-POHAHGRESA-N 0 1 213.321 2.385 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H]2COCC[C@H]2C1)C(F)F ZINC000723619985 711526638 /nfs/dbraw/zinc/52/66/38/711526638.db2.gz NPOVUVOHIAONNZ-XWLWVQCSSA-N 0 1 233.302 2.435 20 0 BEADMN Cc1nnc(CNC(C)(C)C2CC2)s1 ZINC000308731938 711529964 /nfs/dbraw/zinc/52/99/64/711529964.db2.gz JXEMGYXLVALJRC-UHFFFAOYSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000723871002 711541294 /nfs/dbraw/zinc/54/12/94/711541294.db2.gz JLFDWMNSJGHVHA-CQSZACIVSA-N 0 1 248.326 2.138 20 0 BEADMN CCCCC1(NCc2cc(OC)no2)CC1 ZINC000934201653 711574680 /nfs/dbraw/zinc/57/46/80/711574680.db2.gz XXAKTJXHGYNMME-UHFFFAOYSA-N 0 1 224.304 2.496 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NCc2ncccn2)CCO1 ZINC000721509922 711580533 /nfs/dbraw/zinc/58/05/33/711580533.db2.gz ZWAPHWYZJCUKIG-NEPJUHHUSA-N 0 1 249.358 2.160 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C2CC2)[C@@H]1C ZINC000892214353 711583147 /nfs/dbraw/zinc/58/31/47/711583147.db2.gz HJEFGVPBXNSWTR-GHMZBOCLSA-N 0 1 219.332 2.448 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000050565567 711599783 /nfs/dbraw/zinc/59/97/83/711599783.db2.gz VMGCSHIIHIDJFU-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2cncc(F)c2)[nH]1 ZINC000724672462 711607699 /nfs/dbraw/zinc/60/76/99/711607699.db2.gz ICZATWHWOMVUBV-QMMMGPOBSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)c2cncs2)[nH]1 ZINC000724678852 711607712 /nfs/dbraw/zinc/60/77/12/711607712.db2.gz JFOJUKOFNRZTTH-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2cccnc2)[nH]1 ZINC000724790447 711615311 /nfs/dbraw/zinc/61/53/11/711615311.db2.gz VUGFJWLNHMDQAN-VIFPVBQESA-N 0 1 230.315 2.272 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721543004 711620338 /nfs/dbraw/zinc/62/03/38/711620338.db2.gz VVLJVEKNKZPODG-JTQLQIEISA-N 0 1 236.315 2.256 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1CCCC1(F)F ZINC000926524232 711624810 /nfs/dbraw/zinc/62/48/10/711624810.db2.gz MEMGVSGXWHPIRR-APPZFPTMSA-N 0 1 245.273 2.464 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1cn(C)cn1 ZINC000926548771 711636498 /nfs/dbraw/zinc/63/64/98/711636498.db2.gz IBZQOEMGPCUTPL-NQBHXWOUSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cncc(C(=O)[O-])c2)C(C)(C)C1 ZINC000721576247 711651025 /nfs/dbraw/zinc/65/10/25/711651025.db2.gz CMHNWHFPSZAEBB-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN C1=C(C[N@H+]2CCCC[C@H]2C2OCCO2)CCC1 ZINC000725701684 711674112 /nfs/dbraw/zinc/67/41/12/711674112.db2.gz FCSFZVUDPJXDPZ-ZDUSSCGKSA-N 0 1 237.343 2.324 20 0 BEADMN CS[C@@H]1CC[C@H](NCc2cocn2)C1 ZINC000308736864 711691313 /nfs/dbraw/zinc/69/13/13/711691313.db2.gz LTPVJUSRMYGPGA-WCBMZHEXSA-N 0 1 212.318 2.048 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000257649050 711723479 /nfs/dbraw/zinc/72/34/79/711723479.db2.gz FJFYPUSQCPGLDE-QMMMGPOBSA-N 0 1 243.690 2.372 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(C)o1 ZINC000257667480 711724738 /nfs/dbraw/zinc/72/47/38/711724738.db2.gz KYIFNRKDBPKGTO-GFCCVEGCSA-N 0 1 237.299 2.336 20 0 BEADMN c1csc(CNC[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000722313817 711734232 /nfs/dbraw/zinc/73/42/32/711734232.db2.gz SOURXHLTTNHUIV-WDEREUQCSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1cnccn1 ZINC000722315182 711734637 /nfs/dbraw/zinc/73/46/37/711734637.db2.gz POXJBBZTTOHAEI-JKOKRWQUSA-N 0 1 247.342 2.085 20 0 BEADMN COc1ccc(CN[C@@H](C)COCC2CC2)o1 ZINC000895168768 711778889 /nfs/dbraw/zinc/77/88/89/711778889.db2.gz CSCPXCTUQFYJSU-JTQLQIEISA-N 0 1 239.315 2.193 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](COC)C(C)C ZINC000721864999 711792200 /nfs/dbraw/zinc/79/22/00/711792200.db2.gz AUCPBPYKTXIIJZ-NWDGAFQWSA-N 0 1 245.363 2.090 20 0 BEADMN Cc1ncc(CNCC[C@H](O)c2ccccc2)o1 ZINC000721322997 711799876 /nfs/dbraw/zinc/79/98/76/711799876.db2.gz ILLHVESMSCFLEB-AWEZNQCLSA-N 0 1 246.310 2.196 20 0 BEADMN C/C(=C\Cl)CSCc1n[nH]c(C)n1 ZINC000379414160 711801934 /nfs/dbraw/zinc/80/19/34/711801934.db2.gz NKZUUWAAZFXSAK-ZZXKWVIFSA-N 0 1 217.725 2.489 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721270601 711876905 /nfs/dbraw/zinc/87/69/05/711876905.db2.gz CCQJXLBWGHFHSS-YFKTTZPYSA-N 0 1 225.332 2.074 20 0 BEADMN CCNCc1c(Cl)cncc1Cl ZINC000238260978 711888694 /nfs/dbraw/zinc/88/86/94/711888694.db2.gz KJYVJSGOBNDDER-UHFFFAOYSA-N 0 1 205.088 2.498 20 0 BEADMN CC(C)C1(O)CN([C@@H](C)c2ccccc2)C1 ZINC000084376791 711924582 /nfs/dbraw/zinc/92/45/82/711924582.db2.gz XZYYLMSBMZOPKL-LBPRGKRZSA-N 0 1 219.328 2.450 20 0 BEADMN Cc1cc(CN2CC[C@@](C)(O)C2)cc(Cl)n1 ZINC000320574400 711935987 /nfs/dbraw/zinc/93/59/87/711935987.db2.gz RDXQQXYHUBGYLZ-GFCCVEGCSA-N 0 1 240.734 2.000 20 0 BEADMN Cc1[nH+]c(N[C@@H]2CC23CCC3)ccc1C(=O)[O-] ZINC000721292452 711958887 /nfs/dbraw/zinc/95/88/87/711958887.db2.gz XVGYCFCXYYRAFD-SNVBAGLBSA-N 0 1 232.283 2.443 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2CO[C@H](C)C2)c1 ZINC000922216535 711960391 /nfs/dbraw/zinc/96/03/91/711960391.db2.gz XZFPQTBPDBQNCQ-KOLCDFICSA-N 0 1 240.734 2.310 20 0 BEADMN CN(C)c1ccnc(CNCc2ccco2)c1 ZINC000922480795 711972369 /nfs/dbraw/zinc/97/23/69/711972369.db2.gz MJKYXSFWGMIWBQ-UHFFFAOYSA-N 0 1 231.299 2.030 20 0 BEADMN Cc1cc(CNCC[C@H](O)c2ccccc2)on1 ZINC000721315311 711979629 /nfs/dbraw/zinc/97/96/29/711979629.db2.gz ZZTXHAUIPWNSIK-AWEZNQCLSA-N 0 1 246.310 2.196 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@H+]([C@@H]1C=CCCC1)C2 ZINC000701442835 712023389 /nfs/dbraw/zinc/02/33/89/712023389.db2.gz DHQGPUJNALGCSJ-SCRDCRAPSA-N 0 1 235.327 2.282 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701451527 712023802 /nfs/dbraw/zinc/02/38/02/712023802.db2.gz HPXFFHWBRDNWTC-LOWVWBTDSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000701510295 712025239 /nfs/dbraw/zinc/02/52/39/712025239.db2.gz AARSIHQBRJREOC-JSGCOSHPSA-N 0 1 235.327 2.139 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC(F)CC1 ZINC000701633882 712026022 /nfs/dbraw/zinc/02/60/22/712026022.db2.gz BHVDDOKUIBLGGB-UHFFFAOYSA-N 0 1 241.237 2.105 20 0 BEADMN C/C(=C\C[N@H+]1CCCC2(CC2)CC1)C(=O)[O-] ZINC000702536018 712055237 /nfs/dbraw/zinc/05/52/37/712055237.db2.gz UCPRZRGUQZFYOL-QDEBKDIKSA-N 0 1 223.316 2.283 20 0 BEADMN C[C@@H](CF)NCc1cccc2c1NCCC2 ZINC000702607074 712056563 /nfs/dbraw/zinc/05/65/63/712056563.db2.gz MIIIMFJFBJDUCL-JTQLQIEISA-N 0 1 222.307 2.492 20 0 BEADMN CCc1nnc(CN[C@@H](CC)CSC)s1 ZINC000702679424 712059278 /nfs/dbraw/zinc/05/92/78/712059278.db2.gz CEAFUMXWARPFQI-QMMMGPOBSA-N 0 1 245.417 2.332 20 0 BEADMN CC(C)c1ccc([C@H](C)N[C@@H]2CNOC2)cc1 ZINC000703381069 712074659 /nfs/dbraw/zinc/07/46/59/712074659.db2.gz NUHDFDIUAJBPMA-SMDDNHRTSA-N 0 1 234.343 2.364 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ncccc1Cl ZINC000703868892 712091831 /nfs/dbraw/zinc/09/18/31/712091831.db2.gz NGJZDJZCKNJSTM-NSHDSACASA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H](c1ccccc1)N(C)Cc1ccc(N)nn1 ZINC000703965118 712097483 /nfs/dbraw/zinc/09/74/83/712097483.db2.gz POEUFQIAZVWOJV-NSHDSACASA-N 0 1 242.326 2.252 20 0 BEADMN COC1CC(Cn2c(C)nc3c2CCCC3)C1 ZINC000704180374 712099741 /nfs/dbraw/zinc/09/97/41/712099741.db2.gz XAQXJMWLQBUDFV-UHFFFAOYSA-N 0 1 234.343 2.495 20 0 BEADMN Cc1[nH+]c(NCC[C@@H](C)F)ccc1C(=O)[O-] ZINC000705804472 712135708 /nfs/dbraw/zinc/13/57/08/712135708.db2.gz MANQAXSLKOWVAJ-SSDOTTSWSA-N 0 1 226.251 2.248 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2CC[C@H]3C[C@H]32)o1 ZINC000707019377 712164333 /nfs/dbraw/zinc/16/43/33/712164333.db2.gz PKCKKHUQCMFMAZ-LPEHRKFASA-N 0 1 235.283 2.221 20 0 BEADMN CS[C@H]1CCCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000707280024 712167075 /nfs/dbraw/zinc/16/70/75/712167075.db2.gz WUCHXKRXQPIPQU-YAEJEKNGSA-N 0 1 243.372 2.235 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000707280022 712167176 /nfs/dbraw/zinc/16/71/76/712167176.db2.gz WUCHXKRXQPIPQU-SDKXAQGSSA-N 0 1 243.372 2.235 20 0 BEADMN Cc1nonc1CN[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708840445 712200778 /nfs/dbraw/zinc/20/07/78/712200778.db2.gz JOESTFWEGAJIOE-NTZNESFSSA-N 0 1 235.331 2.436 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709058143 712206554 /nfs/dbraw/zinc/20/65/54/712206554.db2.gz CDPFVWCOTAYQJJ-VXNVDRBHSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H](C)C(=O)[O-])CC(C)(C)C ZINC000709072832 712207430 /nfs/dbraw/zinc/20/74/30/712207430.db2.gz CAZQNBBHFSAOKD-NXEZZACHSA-N 0 1 215.337 2.464 20 0 BEADMN COCC[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709111999 712209371 /nfs/dbraw/zinc/20/93/71/712209371.db2.gz RTUSAHANJBEKMS-NSHDSACASA-N 0 1 245.363 2.092 20 0 BEADMN Cc1noc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)n1 ZINC000709155469 712210620 /nfs/dbraw/zinc/21/06/20/712210620.db2.gz NBGSXSZSKAJYKN-SUZMYJTESA-N 0 1 235.331 2.436 20 0 BEADMN CCNCc1cn(C[C@H]2CC3CCC2CC3)nn1 ZINC000709423614 712221829 /nfs/dbraw/zinc/22/18/29/712221829.db2.gz QKJDBCGJABXLEG-WXRRBKDZSA-N 0 1 248.374 2.214 20 0 BEADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cn(C)cn1 ZINC000709986753 712237610 /nfs/dbraw/zinc/23/76/10/712237610.db2.gz GOPPDTFPWYVRDJ-JGVFFNPUSA-N 0 1 235.253 2.412 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000710096749 712244854 /nfs/dbraw/zinc/24/48/54/712244854.db2.gz SNUDLNJEKJFGKD-FRRDWIJNSA-N 0 1 237.343 2.384 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@@]1(C)C(=O)[O-] ZINC000710134872 712245350 /nfs/dbraw/zinc/24/53/50/712245350.db2.gz HDHJBOGSGGEYAL-MBNYWOFBSA-N 0 1 237.343 2.385 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)o1 ZINC000710165663 712246941 /nfs/dbraw/zinc/24/69/41/712246941.db2.gz NTYAOQIWFYOYBS-NOZJJQNGSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@@H]1CC[C@H](NCc2noc3c2COCC3)C1 ZINC000923016887 712291869 /nfs/dbraw/zinc/29/18/69/712291869.db2.gz YNNLPCBQTBFTQI-ZJUUUORDSA-N 0 1 236.315 2.026 20 0 BEADMN Cn1c(Cl)ncc1CNCc1cccs1 ZINC000711304650 712293057 /nfs/dbraw/zinc/29/30/57/712293057.db2.gz DRDNRLRMNLJECS-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000711392830 712297152 /nfs/dbraw/zinc/29/71/52/712297152.db2.gz JSCOBEZGIIUOBA-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000711473318 712302921 /nfs/dbraw/zinc/30/29/21/712302921.db2.gz DLGCCIFQOAGFLI-QWRGUYRKSA-N 0 1 231.311 2.167 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC[C@H](CF)C1 ZINC000711476723 712305031 /nfs/dbraw/zinc/30/50/31/712305031.db2.gz OAQMFNNOGWWYBF-NEPJUHHUSA-N 0 1 245.338 2.256 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CC[C@@H](CF)C1 ZINC000711478760 712305293 /nfs/dbraw/zinc/30/52/93/712305293.db2.gz CDYBIUJPNNVPRX-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CC[C@H](CF)C1 ZINC000711488499 712306359 /nfs/dbraw/zinc/30/63/59/712306359.db2.gz CJDKJNZBZSRVKM-ZYHUDNBSSA-N 0 1 237.274 2.104 20 0 BEADMN Cc1cc(C)nc(-c2nc(C3(N)CCC3)no2)c1 ZINC000711638639 712312919 /nfs/dbraw/zinc/31/29/19/712312919.db2.gz ICWJMLINFYOCKV-UHFFFAOYSA-N 0 1 244.298 2.086 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC000711645780 712314018 /nfs/dbraw/zinc/31/40/18/712314018.db2.gz IDRDDLGWQSCIFL-YPMHNXCESA-N 0 1 243.322 2.455 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC000711661526 712314483 /nfs/dbraw/zinc/31/44/83/712314483.db2.gz DQLPVLLFXNNTLG-YPMHNXCESA-N 0 1 223.316 2.116 20 0 BEADMN CCc1nnc(CNC[C@H]2C=CCC2)s1 ZINC000711660336 712314658 /nfs/dbraw/zinc/31/46/58/712314658.db2.gz IRNGGERAUVATME-VIFPVBQESA-N 0 1 223.345 2.156 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711655479 712315480 /nfs/dbraw/zinc/31/54/80/712315480.db2.gz LVUGBDOPMNKNCL-GXSJLCMTSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CCCCF)CC2 ZINC000711674069 712316106 /nfs/dbraw/zinc/31/61/06/712316106.db2.gz JWIPSIYVYHBGCZ-PWSUYJOCSA-N 0 1 229.295 2.065 20 0 BEADMN CCCC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711666629 712318487 /nfs/dbraw/zinc/31/84/87/712318487.db2.gz QQQARDQQJLKYMX-CMPLNLGQSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H]1SCC[C@H]1NCc1nccn1C1CC1 ZINC000711745969 712323403 /nfs/dbraw/zinc/32/34/03/712323403.db2.gz KZPKIUGCIXZFQU-MWLCHTKSSA-N 0 1 237.372 2.202 20 0 BEADMN C(c1nc([C@H]2CCCN2)no1)[C@@H]1C[C@H]1C1CC1 ZINC000711966207 712339322 /nfs/dbraw/zinc/33/93/22/712339322.db2.gz BHDUMYQJRDQOKC-GARJFASQSA-N 0 1 233.315 2.083 20 0 BEADMN C[C@@H](C[C@@H]1CCOC1)NCC(C)(F)F ZINC000378873546 712365758 /nfs/dbraw/zinc/36/57/58/712365758.db2.gz UOOFCPMJDJYGET-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CCc1ccc(CN2CCC[C@H](C(C)=O)C2)nc1 ZINC000379245774 712371519 /nfs/dbraw/zinc/37/15/19/712371519.db2.gz YRWQIOMROICOLL-AWEZNQCLSA-N 0 1 246.354 2.445 20 0 BEADMN Cc1cc(CNCCF)cnc1Cl ZINC000379364150 712376727 /nfs/dbraw/zinc/37/67/27/712376727.db2.gz LQUBCFKZAYDTQO-UHFFFAOYSA-N 0 1 202.660 2.103 20 0 BEADMN CC(C)(C)[C@@H](CO)NC/C(Cl)=C\Cl ZINC000379395312 712381655 /nfs/dbraw/zinc/38/16/55/712381655.db2.gz ZCTLEDRJXCHENI-RXLGXGPVSA-N 0 1 226.147 2.302 20 0 BEADMN Clc1cccc2c1OCCN2Cc1cnc[nH]1 ZINC000144897657 712386014 /nfs/dbraw/zinc/38/60/14/712386014.db2.gz CCICTHJNAHARQA-UHFFFAOYSA-N 0 1 249.701 2.462 20 0 BEADMN Cc1cnc(CN[C@H](CCO)C2CCCC2)o1 ZINC000725088378 712392997 /nfs/dbraw/zinc/39/29/97/712392997.db2.gz MGPFZXGTLMNICV-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN c1cnc(CNc2ccc3c(n2)CCCC3)cn1 ZINC000712322502 712396586 /nfs/dbraw/zinc/39/65/86/712396586.db2.gz GSLRJOKJDNGCCP-UHFFFAOYSA-N 0 1 240.310 2.363 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@H](C)C(=O)[O-])cs1 ZINC000379783649 712398856 /nfs/dbraw/zinc/39/88/56/712398856.db2.gz HBUOLTBQEHHGAQ-QMMMGPOBSA-N 0 1 227.329 2.209 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cs1 ZINC000379783647 712398939 /nfs/dbraw/zinc/39/89/39/712398939.db2.gz HBUOLTBQEHHGAQ-MRVPVSSYSA-N 0 1 227.329 2.209 20 0 BEADMN COC[C@@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000781988061 712417190 /nfs/dbraw/zinc/41/71/90/712417190.db2.gz UPMVKNICPZOKGX-SSDOTTSWSA-N 0 1 244.674 2.237 20 0 BEADMN C[C@H]1C[C@H](NCc2cnn(C)c2Cl)CS1 ZINC000712477566 712430581 /nfs/dbraw/zinc/43/05/81/712430581.db2.gz FYDIHOCMQWSCTD-CBAPKCEASA-N 0 1 245.779 2.057 20 0 BEADMN CCN1CC[C@H]1CNc1nc(C)cc(C(C)C)n1 ZINC000712610327 712437595 /nfs/dbraw/zinc/43/75/95/712437595.db2.gz YRHOZQPNZJYDKY-LBPRGKRZSA-N 0 1 248.374 2.415 20 0 BEADMN CCN1CC[C@@H]1CNc1nccc(C(C)(C)C)n1 ZINC000712609495 712437612 /nfs/dbraw/zinc/43/76/12/712437612.db2.gz VKWYHERKEDXFCZ-LLVKDONJSA-N 0 1 248.374 2.280 20 0 BEADMN CN1CC[C@@H]1CNc1cccc(C(F)(F)F)n1 ZINC000712615029 712438176 /nfs/dbraw/zinc/43/81/76/712438176.db2.gz MXDQKMMNAKPIDI-MRVPVSSYSA-N 0 1 245.248 2.216 20 0 BEADMN c1nc(CNCC[C@@H]2C[C@H]2C2CC2)co1 ZINC000712630452 712439244 /nfs/dbraw/zinc/43/92/44/712439244.db2.gz LXCJNXYEHVJEKG-PWSUYJOCSA-N 0 1 206.289 2.200 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H]2CCN2C)c(C)s1 ZINC000712574985 712448026 /nfs/dbraw/zinc/44/80/26/712448026.db2.gz YQBYIPQONYQKJP-LDYMZIIASA-N 0 1 239.388 2.115 20 0 BEADMN CCN1CC[C@H]1CN[C@H](C)c1csc(C)n1 ZINC000712574514 712448074 /nfs/dbraw/zinc/44/80/74/712448074.db2.gz WPIYGJQBBAMHHO-KOLCDFICSA-N 0 1 239.388 2.196 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H]2CCN2C)c(C)s1 ZINC000712574979 712448297 /nfs/dbraw/zinc/44/82/97/712448297.db2.gz YQBYIPQONYQKJP-KCJUWKMLSA-N 0 1 239.388 2.115 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000713716073 712469924 /nfs/dbraw/zinc/46/99/24/712469924.db2.gz HLYKILUEWAJAAQ-KBIXYVOKSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000713710624 712470211 /nfs/dbraw/zinc/47/02/11/712470211.db2.gz ACTYRPBVYFSFSC-IHVVCDCBSA-N 0 1 223.316 2.305 20 0 BEADMN CCCn1cc(CN[C@H](C)Cc2ccco2)nn1 ZINC000714499055 712492285 /nfs/dbraw/zinc/49/22/85/712492285.db2.gz ITCQISOKPTXPNC-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000036785895 712495123 /nfs/dbraw/zinc/49/51/23/712495123.db2.gz CANSKEFPISRTSL-QMMMGPOBSA-N 0 1 223.272 2.208 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000714953331 712503691 /nfs/dbraw/zinc/50/36/91/712503691.db2.gz JEZRZOJLOPGMSR-UHFFFAOYSA-N 0 1 243.253 2.315 20 0 BEADMN Fc1cccc(-c2noc(CNCC3CC3)n2)c1 ZINC000036884639 712514649 /nfs/dbraw/zinc/51/46/49/712514649.db2.gz IPYWZBLBFPNEKR-UHFFFAOYSA-N 0 1 247.273 2.375 20 0 BEADMN COC(=O)c1sccc1CN[C@H]1CC12CC2 ZINC000715627225 712528133 /nfs/dbraw/zinc/52/81/33/712528133.db2.gz LVYVTKNQHBKWDU-VIFPVBQESA-N 0 1 237.324 2.177 20 0 BEADMN CCCn1cc([C@@H](C)NCCc2ccoc2)nn1 ZINC000715851589 712536473 /nfs/dbraw/zinc/53/64/73/712536473.db2.gz DBXYANQXKVHCHH-LLVKDONJSA-N 0 1 248.330 2.174 20 0 BEADMN CCCn1cc([C@@H](C)NCCC(C)(F)F)nn1 ZINC000715859142 712537287 /nfs/dbraw/zinc/53/72/87/712537287.db2.gz ICMATMCQXIHWQK-SECBINFHSA-N 0 1 246.305 2.384 20 0 BEADMN Cc1cc(CNC(=O)OC2CCCCC2)n[nH]1 ZINC000716146145 712552411 /nfs/dbraw/zinc/55/24/11/712552411.db2.gz QKTWYELYYVJWCJ-UHFFFAOYSA-N 0 1 237.303 2.277 20 0 BEADMN Cc1[nH]nc(CNc2cc(C)ccn2)c1C ZINC000716444940 712561015 /nfs/dbraw/zinc/56/10/15/712561015.db2.gz CWCFYFYNLYEMGZ-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN Cc1n[nH]c(CNCc2cccc(F)c2)c1C ZINC000716459358 712562641 /nfs/dbraw/zinc/56/26/41/712562641.db2.gz NTMHJLQTTHSFMT-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCOc1cccc(NCc2n[nH]c(C)c2C)n1 ZINC000716475597 712564408 /nfs/dbraw/zinc/56/44/08/712564408.db2.gz STUKBDGEYRSFDX-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNCc1cocn1 ZINC000716634593 712568033 /nfs/dbraw/zinc/56/80/33/712568033.db2.gz GZAPTKARERXFCE-LSKIRQOJSA-N 0 1 206.289 2.056 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000716607987 712569357 /nfs/dbraw/zinc/56/93/57/712569357.db2.gz YZGNAMTWISHSGA-LBPRGKRZSA-N 0 1 249.358 2.157 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(N)c(C)c1 ZINC000716790493 712573557 /nfs/dbraw/zinc/57/35/57/712573557.db2.gz ZSCNXQLGSUINQU-UHFFFAOYSA-N 0 1 216.288 2.221 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@H]2CC(C)(C)CO2)c2nccn21 ZINC000717588482 712661355 /nfs/dbraw/zinc/66/13/55/712661355.db2.gz JVAIHKXSPOURDN-IJLUTSLNSA-N 0 1 249.358 2.294 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@H]2CC(C)(C)CO2)c2nccn21 ZINC000717588479 712661448 /nfs/dbraw/zinc/66/14/48/712661448.db2.gz JVAIHKXSPOURDN-GRYCIOLGSA-N 0 1 249.358 2.294 20 0 BEADMN c1cc2n(c1)CCN(CCC[C@@H]1CCOC1)C2 ZINC000932525504 712717588 /nfs/dbraw/zinc/71/75/88/712717588.db2.gz ADOKVMWYPMGLEL-CYBMUJFWSA-N 0 1 234.343 2.120 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnc(Cl)s2)CO1 ZINC000718214236 712754295 /nfs/dbraw/zinc/75/42/95/712754295.db2.gz VAUFOWBXGNCXTI-RNFRBKRXSA-N 0 1 232.736 2.064 20 0 BEADMN Cc1coc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000718417613 712760241 /nfs/dbraw/zinc/76/02/41/712760241.db2.gz UJNGRWKQRRNTLL-MRVPVSSYSA-N 0 1 219.244 2.063 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000718611502 712772898 /nfs/dbraw/zinc/77/28/98/712772898.db2.gz ALBLOIKVIZYLSC-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN CC(F)(F)CCCN1CCCC2(C1)OCCO2 ZINC000718635361 712773172 /nfs/dbraw/zinc/77/31/72/712773172.db2.gz KUSNMVQNHJJKDQ-UHFFFAOYSA-N 0 1 249.301 2.261 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000718615390 712773642 /nfs/dbraw/zinc/77/36/42/712773642.db2.gz LWKCWWRVIGCAGW-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN CC[N@@H+](CCCC(C)(F)F)CCC(=O)[O-] ZINC000718614569 712773807 /nfs/dbraw/zinc/77/38/07/712773807.db2.gz JBPPPLAZBSTODX-UHFFFAOYSA-N 0 1 223.263 2.218 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccco1)c1ccco1 ZINC000037890586 712781611 /nfs/dbraw/zinc/78/16/11/712781611.db2.gz YFZGWBCFXPOXTE-ZJUUUORDSA-N 0 1 221.256 2.257 20 0 BEADMN C[C@H]1[C@H](Nc2ncccc2Cl)CCN1C ZINC000719570531 712811062 /nfs/dbraw/zinc/81/10/62/712811062.db2.gz OQOKXUNLWUAKQU-WCBMZHEXSA-N 0 1 225.723 2.240 20 0 BEADMN c1ncc(CNCc2nc3c(s2)CCCC3)[nH]1 ZINC000719600253 712814078 /nfs/dbraw/zinc/81/40/78/712814078.db2.gz SVHHTTLUYVCTOQ-UHFFFAOYSA-N 0 1 248.355 2.035 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nccn1C(F)F ZINC000720188540 712829068 /nfs/dbraw/zinc/82/90/68/712829068.db2.gz RNSDUSPDMUOZRB-QMMMGPOBSA-N 0 1 247.289 2.181 20 0 BEADMN Cc1conc1CN1CCCC[C@@H]1C[C@@H](C)O ZINC000720363007 712835679 /nfs/dbraw/zinc/83/56/79/712835679.db2.gz JDVPTXVBFGFZNK-VXGBXAGGSA-N 0 1 238.331 2.108 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nocc2C)C12CCC2 ZINC000720369831 712836204 /nfs/dbraw/zinc/83/62/04/712836204.db2.gz OQOHMLNDFBSMSV-NEPJUHHUSA-N 0 1 236.315 2.030 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nocc2C)C12CCC2 ZINC000720369838 712836356 /nfs/dbraw/zinc/83/63/56/712836356.db2.gz OQOHMLNDFBSMSV-VXGBXAGGSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNCc1ccon1 ZINC000720403388 712839735 /nfs/dbraw/zinc/83/97/35/712839735.db2.gz AOLUKSLWLMIRAR-PKZYVASSSA-N 0 1 206.289 2.056 20 0 BEADMN CC1(c2nc(C3(N)CCC3)no2)CC(F)(F)C1 ZINC000720445090 712843941 /nfs/dbraw/zinc/84/39/41/712843941.db2.gz XROHWPGAIWEZQD-UHFFFAOYSA-N 0 1 243.257 2.094 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H](C)[C@@H]2CCCO2)n1 ZINC000720612268 712858885 /nfs/dbraw/zinc/85/88/85/712858885.db2.gz ANCXMARMJYCRND-GUBZILKMSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1cc(CNC2(C)CC(F)(F)C2)n(C)n1 ZINC000720934413 712880255 /nfs/dbraw/zinc/88/02/55/712880255.db2.gz HEGMAOVMJKZISU-UHFFFAOYSA-N 0 1 229.274 2.006 20 0 BEADMN COc1ncc(CNC2(C)CC(F)(F)C2)s1 ZINC000720959485 712882675 /nfs/dbraw/zinc/88/26/75/712882675.db2.gz BOULOMDVZOEHLN-UHFFFAOYSA-N 0 1 248.298 2.429 20 0 BEADMN CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC001037982530 712896197 /nfs/dbraw/zinc/89/61/97/712896197.db2.gz ZCRSJEHOARIGGI-DOMZBBRYSA-N 0 1 246.354 2.266 20 0 BEADMN CCO[C@@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000721191075 712896545 /nfs/dbraw/zinc/89/65/45/712896545.db2.gz AGHPECQGQKGOQT-ZYHUDNBSSA-N 0 1 224.304 2.112 20 0 BEADMN CC(C)c1ccc(N2C[C@H](C)N(C)C[C@H]2C)nn1 ZINC001164638040 719185884 /nfs/dbraw/zinc/18/58/84/719185884.db2.gz QFHJGAVPMSDDNZ-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1nccc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000351509405 719206226 /nfs/dbraw/zinc/20/62/26/719206226.db2.gz LNDMLTPEKMRRPU-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN CC1CC(N(C)Cc2ccncc2F)C1 ZINC001206783277 957089626 /nfs/dbraw/zinc/08/96/26/957089626.db2.gz ACELOHMISCQCQN-UHFFFAOYSA-N 0 1 208.280 2.451 20 0 BEADMN Cc1ccc(F)c(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001164633548 719172949 /nfs/dbraw/zinc/17/29/49/719172949.db2.gz HLSFYJWTDBFBHE-MNOVXSKESA-N 0 1 237.322 2.058 20 0 BEADMN CCCCN(CC(=O)OCC)C[C@H]1C[C@H]1C ZINC001209432399 957463164 /nfs/dbraw/zinc/46/31/64/957463164.db2.gz QGUWXKKDKZGPRM-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1cc(Cl)ncc1CN1C[C@@H]2C[C@@H]2C1 ZINC001209629629 957517138 /nfs/dbraw/zinc/51/71/38/957517138.db2.gz CQPCJLJHAODOGO-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN Cc1ccc(N2C[C@H]3[C@H](CF)[C@H]3C2)nc1C ZINC001167222788 957553584 /nfs/dbraw/zinc/55/35/84/957553584.db2.gz VHWKZYHSRZQVQD-CNDDSTCGSA-N 0 1 220.291 2.350 20 0 BEADMN CN(CC1CCC1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000061482379 957581461 /nfs/dbraw/zinc/58/14/61/957581461.db2.gz IUJFIEMBGZBYON-UHFFFAOYSA-N 0 1 220.272 2.016 20 0 BEADMN CCC[N@H+](C/C(C)=C/C(=O)[O-])CC1CC1 ZINC000082604604 957797993 /nfs/dbraw/zinc/79/79/93/957797993.db2.gz ANLNMPYNAANJCN-JXMROGBWSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@@H](CSCC[C@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000083051101 957818424 /nfs/dbraw/zinc/81/84/24/957818424.db2.gz AOFZNIPTNQPBQT-WDEREUQCSA-N 0 1 245.388 2.315 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC000083839880 957833507 /nfs/dbraw/zinc/83/35/07/957833507.db2.gz ZTKIQRMZYDEDEC-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C/C(Cl)=C/Cl ZINC000086257469 957960827 /nfs/dbraw/zinc/96/08/27/957960827.db2.gz SLSJJZLAKURZLG-MOIBXHDPSA-N 0 1 238.114 2.100 20 0 BEADMN Clc1ccnc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000307345329 959198313 /nfs/dbraw/zinc/19/83/13/959198313.db2.gz AMGKNFXPIBQRDA-DTORHVGOSA-N 0 1 208.692 2.187 20 0 BEADMN CC[C@H](NCc1nccc(C)n1)C1CC1 ZINC000692496755 960031449 /nfs/dbraw/zinc/03/14/49/960031449.db2.gz RIEHNSPSJQHSDR-NSHDSACASA-N 0 1 205.305 2.063 20 0 BEADMN Cc1ccnc(CNC2(C3CCC3)CC2)n1 ZINC000692603112 960333115 /nfs/dbraw/zinc/33/31/15/960333115.db2.gz WOVSAQRNIRSMNL-UHFFFAOYSA-N 0 1 217.316 2.207 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000695841810 960503554 /nfs/dbraw/zinc/50/35/54/960503554.db2.gz DZRQLGBMDHEOED-JLIMGVALSA-N 0 1 221.304 2.239 20 0 BEADMN CSCCC[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000300846988 963037405 /nfs/dbraw/zinc/03/74/05/963037405.db2.gz NDZOWESMMPWLLV-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000301001806 963049231 /nfs/dbraw/zinc/04/92/31/963049231.db2.gz XEYQOSMWVMKBGS-SNVBAGLBSA-N 0 1 215.337 2.464 20 0 BEADMN CSC[C@@H]1CCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000309344264 963341943 /nfs/dbraw/zinc/34/19/43/963341943.db2.gz LTMJIMAWXCZPOC-GULOHRGCSA-N 0 1 243.372 2.092 20 0 BEADMN Cc1nc([C@H]2CCC[N@H+]2CCC(=O)[O-])cs1 ZINC000309811593 963373807 /nfs/dbraw/zinc/37/38/07/963373807.db2.gz ZEXJEFIPBKKEOO-SNVBAGLBSA-N 0 1 240.328 2.063 20 0 BEADMN C[C@]1(CO)CCCN(Cc2cscn2)CC1 ZINC001137591384 963436780 /nfs/dbraw/zinc/43/67/80/963436780.db2.gz OSKQKLGXSUDDOY-LBPRGKRZSA-N 0 1 240.372 2.128 20 0 BEADMN CC(C)N(CCCO)Cc1cccnc1Cl ZINC000052709812 963514151 /nfs/dbraw/zinc/51/41/51/963514151.db2.gz VYHXUQNWFWEKCQ-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN CC[N@@H+](C)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643449 964735370 /nfs/dbraw/zinc/73/53/70/964735370.db2.gz VILWCVCJGQRQOK-UHFFFAOYSA-N 0 1 227.691 2.490 20 0 BEADMN COC(=O)c1occc1CNCCC(C)(C)F ZINC000698288145 965185272 /nfs/dbraw/zinc/18/52/72/965185272.db2.gz RRDRBMFPNDVXLI-UHFFFAOYSA-N 0 1 243.278 2.294 20 0 BEADMN Cc1nnc(CNCCCOC(C)(C)C)s1 ZINC000698374044 965267516 /nfs/dbraw/zinc/26/75/16/965267516.db2.gz AHBMSZVHLYKXOH-UHFFFAOYSA-N 0 1 243.376 2.141 20 0 BEADMN CC(C)CCCCC(=O)NC12CCN(CC1)C2 ZINC000913634727 965624073 /nfs/dbraw/zinc/62/40/73/965624073.db2.gz BOVJRRFUIFVMGJ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cc(C)nc(N2CCCO[C@H](C)C2)c1 ZINC001163960585 965662776 /nfs/dbraw/zinc/66/27/76/965662776.db2.gz HHBGEUZYYQPZNT-GFCCVEGCSA-N 0 1 220.316 2.314 20 0 BEADMN CCCc1ccc(CN2CC[C@H]2NC)cc1 ZINC001236167847 966281658 /nfs/dbraw/zinc/28/16/58/966281658.db2.gz QTQWLHGQLDGBPG-AWEZNQCLSA-N 0 1 218.344 2.390 20 0 BEADMN CCOc1cc(CN2CC[C@H]2C)ccc1O ZINC001204127990 966898757 /nfs/dbraw/zinc/89/87/57/966898757.db2.gz QTLFWPQYESTIKA-SNVBAGLBSA-N 0 1 221.300 2.385 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC1COC1 ZINC001204211572 966925672 /nfs/dbraw/zinc/92/56/72/966925672.db2.gz ZSNHJDHNDSCITP-UHFFFAOYSA-N 0 1 227.254 2.043 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2cc(F)ccc2F)C1 ZINC001204214080 966927389 /nfs/dbraw/zinc/92/73/89/966927389.db2.gz FRNFDZRMDOAELG-CABZTGNLSA-N 0 1 241.281 2.168 20 0 BEADMN C[N@H+]1CCCC[C@@H]1c1ccc(NC#N)nc1 ZINC001168627802 967124899 /nfs/dbraw/zinc/12/48/99/967124899.db2.gz JTLJNEICSMCCGT-LLVKDONJSA-N 0 1 216.288 2.131 20 0 BEADMN CC[C@@H](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272989703 967576135 /nfs/dbraw/zinc/57/61/35/967576135.db2.gz DBRXBNQISWGCBC-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CCC(C)(C)N(C)CC(=O)OC(C)C ZINC000068999973 1165896410 /nfs/dbraw/zinc/89/64/10/1165896410.db2.gz NRSPRGIUOVWDAW-UHFFFAOYSA-N 0 1 201.310 2.058 20 0 BEADMN COc1cc2[nH]c(CN(C)C)nc2cc1Cl ZINC001250565745 968081732 /nfs/dbraw/zinc/08/17/32/968081732.db2.gz QNPAYCVPEMZKOO-UHFFFAOYSA-N 0 1 239.706 2.287 20 0 BEADMN COc1ccc2nc(CCSC)[nH]c2c1 ZINC000083187437 1165930543 /nfs/dbraw/zinc/93/05/43/1165930543.db2.gz ABTQDIWUMCIUTG-UHFFFAOYSA-N 0 1 222.313 2.477 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC(F)(F)C1 ZINC000397029669 968238541 /nfs/dbraw/zinc/23/85/41/968238541.db2.gz APZBGAUWCBFMGU-PSASIEDQSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)CCn1[nH]c2c(c1=O)CC[C@H]2C ZINC001119002219 968263454 /nfs/dbraw/zinc/26/34/54/968263454.db2.gz IDXTVPDYSSQOIM-NXEZZACHSA-N 0 1 208.305 2.277 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](CCCCC(=O)[O-])[C@H]1C ZINC000399577059 968291766 /nfs/dbraw/zinc/29/17/66/968291766.db2.gz QLHJEZVQRPQVKG-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN NCc1ncc(-c2ccc(Cl)cc2)cn1 ZINC000084492077 1165946499 /nfs/dbraw/zinc/94/64/99/1165946499.db2.gz IHBTUSKEHMDCKB-UHFFFAOYSA-N 0 1 219.675 2.256 20 0 BEADMN CC[C@@H](O)CN(C)Cc1cccc(F)c1F ZINC001251780103 968327967 /nfs/dbraw/zinc/32/79/67/968327967.db2.gz DYZIEELEJGANNM-SNVBAGLBSA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H](NC[C@H](C)O)c1c(F)cccc1F ZINC001251975453 968417666 /nfs/dbraw/zinc/41/76/66/968417666.db2.gz PLKUUCMJZZJGQZ-KWQFWETISA-N 0 1 229.270 2.386 20 0 BEADMN COc1cccnc1CN1CCC2(CC2)C1 ZINC001206620994 968422371 /nfs/dbraw/zinc/42/23/71/968422371.db2.gz ZLAPOLBYLIKJCX-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN CCc1cc(CNCc2ccc(OC)cc2)[nH]n1 ZINC000074373257 1165991966 /nfs/dbraw/zinc/99/19/66/1165991966.db2.gz FOIBOHWQMQUMHS-UHFFFAOYSA-N 0 1 245.326 2.271 20 0 BEADMN CCCC[C@@H](O)CNc1cc(C)nc(OC)c1 ZINC001252081453 968498812 /nfs/dbraw/zinc/49/88/12/968498812.db2.gz HLILFWNLFHFPSH-GFCCVEGCSA-N 0 1 238.331 2.362 20 0 BEADMN CN(CCC1CC1)Cc1ncccc1F ZINC001207036463 968569370 /nfs/dbraw/zinc/56/93/70/968569370.db2.gz XOBHJBBMKSJVQL-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCCC[C@H](O)CNCc1ncc(F)cc1F ZINC001252109288 968591911 /nfs/dbraw/zinc/59/19/11/968591911.db2.gz BNFDPIZJUWERSV-JTQLQIEISA-N 0 1 244.285 2.001 20 0 BEADMN Cc1ccnc(-c2noc(C3(N)CCCC3)n2)c1 ZINC000111679260 1166047787 /nfs/dbraw/zinc/04/77/87/1166047787.db2.gz IGZKMIDBXNRSEP-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN COC1(C[N@@H+](C)CCC(F)(F)F)CCC1 ZINC000450338160 1166110533 /nfs/dbraw/zinc/11/05/33/1166110533.db2.gz JDECZERYKPIFBZ-UHFFFAOYSA-N 0 1 225.254 2.440 20 0 BEADMN F[C@H]1CN(C[C@H]2CCCOC2)CCC1(F)F ZINC001207461597 968781739 /nfs/dbraw/zinc/78/17/39/968781739.db2.gz NDFJFENKQCUERY-ZJUUUORDSA-N 0 1 237.265 2.092 20 0 BEADMN CCC[C@H](O)CNc1ccc2nc[nH]c2c1 ZINC001252790826 968968306 /nfs/dbraw/zinc/96/83/06/968968306.db2.gz JFMVMPZYOILOLV-JTQLQIEISA-N 0 1 219.288 2.136 20 0 BEADMN CC/C=C\CCCN(C)[C@H](C)C(=O)OC ZINC001208135810 969041364 /nfs/dbraw/zinc/04/13/64/969041364.db2.gz KNTLJNMYFYGLMI-JMEBYUIHSA-N 0 1 213.321 2.226 20 0 BEADMN CS[C@@H](C)CCN1CCC(=O)[C@H](F)CC1 ZINC001208140237 969053729 /nfs/dbraw/zinc/05/37/29/969053729.db2.gz YSSOTNYIDSVGIQ-VHSXEESVSA-N 0 1 233.352 2.131 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1ccno1 ZINC001208147560 969067635 /nfs/dbraw/zinc/06/76/35/969067635.db2.gz IYNYGKFAIJOYRH-VIFPVBQESA-N 0 1 214.334 2.248 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1ccncn1 ZINC001208150711 969072637 /nfs/dbraw/zinc/07/26/37/969072637.db2.gz HIMYLWOIMDNUPI-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN C[C@H](C(=O)[N-]OC(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000226432505 1166229509 /nfs/dbraw/zinc/22/95/09/1166229509.db2.gz OGFYLMHLMUCBGW-OUAUKWLOSA-N 0 1 242.363 2.094 20 0 BEADMN COC(=O)[C@@H](C)[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723413069 969126310 /nfs/dbraw/zinc/12/63/10/969126310.db2.gz NRCWIYGLIJUVGA-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)[C@@H](C)N(C)C1CCC2(CC2)CC1 ZINC000723413069 969126315 /nfs/dbraw/zinc/12/63/15/969126315.db2.gz NRCWIYGLIJUVGA-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1cccc2nc(NC(=O)[C@H]3C[C@@H]3F)[nH]c21 ZINC001143429891 1166244500 /nfs/dbraw/zinc/24/45/00/1166244500.db2.gz CVIZIPHRFRKPIJ-YUMQZZPRSA-N 0 1 233.246 2.168 20 0 BEADMN CCc1noc(-c2ccc3cncn3c2C)n1 ZINC000349682040 1166253091 /nfs/dbraw/zinc/25/30/91/1166253091.db2.gz ZHUIGIZBHSVWOM-UHFFFAOYSA-N 0 1 228.255 2.255 20 0 BEADMN CCCNc1cc(O[C@H]2CCOC2)ccn1 ZINC000227671793 1166257626 /nfs/dbraw/zinc/25/76/26/1166257626.db2.gz KPXJKNJQKUMIPF-NSHDSACASA-N 0 1 222.288 2.071 20 0 BEADMN CCCCC[C@@H](O)CN1CCCC(=O)[C@H](C)C1 ZINC001253524745 969201288 /nfs/dbraw/zinc/20/12/88/969201288.db2.gz FSQXMNZAAZEMPU-CHWSQXEVSA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@H](O)CNc1cc(SC)n[nH]1 ZINC001253531832 969203938 /nfs/dbraw/zinc/20/39/38/969203938.db2.gz RDKNXWLZPRTEFU-VIFPVBQESA-N 0 1 243.376 2.485 20 0 BEADMN CCCCC[C@@H](O)CN1CCO[C@H](C(C)C)C1 ZINC001253537883 969214003 /nfs/dbraw/zinc/21/40/03/969214003.db2.gz MLLGBEXTUQVJFU-KGLIPLIRSA-N 0 1 243.391 2.284 20 0 BEADMN CC(C)CCCN1CCC(=O)[C@H](F)CC1 ZINC001208733332 969219960 /nfs/dbraw/zinc/21/99/60/969219960.db2.gz AZAHRZAHDZCPBB-LLVKDONJSA-N 0 1 215.312 2.426 20 0 BEADMN CC(=O)CN(C)CCCc1ccc(F)cc1 ZINC001208764797 969232703 /nfs/dbraw/zinc/23/27/03/969232703.db2.gz AWCMJWNJJHAAJW-UHFFFAOYSA-N 0 1 223.291 2.279 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000224707633 1166302967 /nfs/dbraw/zinc/30/29/67/1166302967.db2.gz HBGLRPWBUIIMAP-QWRGUYRKSA-N 0 1 213.321 2.058 20 0 BEADMN CN(CCF)CCc1cc(F)cc(F)c1 ZINC001209132484 969354264 /nfs/dbraw/zinc/35/42/64/969354264.db2.gz RJVXCQXFLJWHOJ-UHFFFAOYSA-N 0 1 217.234 2.409 20 0 BEADMN CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000167681123 1166391047 /nfs/dbraw/zinc/39/10/47/1166391047.db2.gz NWTRLDFVXIQVTP-VIFPVBQESA-N 0 1 211.692 2.423 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H](OC(C)C)C2)[nH]1 ZINC000724776030 1166410564 /nfs/dbraw/zinc/41/05/64/1166410564.db2.gz UCPGBEXQVYSYNQ-LBPRGKRZSA-N 0 1 237.347 2.026 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250835945 1166435798 /nfs/dbraw/zinc/43/57/98/1166435798.db2.gz KUIXXGLFDWWZLQ-RTXFEEFZSA-N 0 1 237.343 2.362 20 0 BEADMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001209564848 969547780 /nfs/dbraw/zinc/54/77/80/969547780.db2.gz GYWSVTXQULRALQ-LLVKDONJSA-N 0 1 224.304 2.064 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1ccon1 ZINC001209564848 969547782 /nfs/dbraw/zinc/54/77/82/969547782.db2.gz GYWSVTXQULRALQ-LLVKDONJSA-N 0 1 224.304 2.064 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCCO2)[nH]1 ZINC001209573506 969556135 /nfs/dbraw/zinc/55/61/35/969556135.db2.gz UUHSUYOMNUCTLF-CYBMUJFWSA-N 0 1 222.332 2.324 20 0 BEADMN Cc1ncn(-c2ccc(Cl)c(O)c2)c1N ZINC001212590417 969645101 /nfs/dbraw/zinc/64/51/01/969645101.db2.gz LNIZODYMLWDYOT-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN CC[C@H](NCc1cc(C)[nH]n1)C(F)(F)F ZINC000309030740 1166470639 /nfs/dbraw/zinc/47/06/39/1166470639.db2.gz DNYQYCMLQTUWJA-QMMMGPOBSA-N 0 1 221.226 2.149 20 0 BEADMN CCc1cc(Nc2cnc(N)cc2C)on1 ZINC001209965321 969733536 /nfs/dbraw/zinc/73/35/36/969733536.db2.gz QPYXDPNFTAHOHQ-UHFFFAOYSA-N 0 1 218.260 2.266 20 0 BEADMN CCOC(=O)[C@H](C)c1ccc2cncn2c1 ZINC000261228905 1166513975 /nfs/dbraw/zinc/51/39/75/1166513975.db2.gz RUVYGEGPWDPRNN-SECBINFHSA-N 0 1 218.256 2.001 20 0 BEADMN Clc1csc(NCCN2CC=CC2)n1 ZINC000307016138 1166530039 /nfs/dbraw/zinc/53/00/39/1166530039.db2.gz ONAHRBPJRCUVJP-UHFFFAOYSA-N 0 1 229.736 2.080 20 0 BEADMN CCn1cc(CN[C@@H](C)c2ccc[nH]2)cn1 ZINC000393783050 1166534854 /nfs/dbraw/zinc/53/48/54/1166534854.db2.gz RDESLSJBACWMJD-JTQLQIEISA-N 0 1 218.304 2.082 20 0 BEADMN CO[C@@H](C)CNc1nc(C)cc2cc[nH]c21 ZINC001169773258 969847240 /nfs/dbraw/zinc/84/72/40/969847240.db2.gz VRHQYFVFFFRQSX-VIFPVBQESA-N 0 1 219.288 2.318 20 0 BEADMN CCOC(=O)C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000708945870 1166588734 /nfs/dbraw/zinc/58/87/34/1166588734.db2.gz NBTAXQPHMTYZLK-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCCC(C)(C)C1 ZINC000708945870 1166588741 /nfs/dbraw/zinc/58/87/41/1166588741.db2.gz NBTAXQPHMTYZLK-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C)CCC(=O)NC1CN(CC(C)C)C1 ZINC001267661980 1166604762 /nfs/dbraw/zinc/60/47/62/1166604762.db2.gz MZUQNSYCWIVCBY-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1ccc(N2CCN(C)CC2)cc1 ZINC000113261403 1166637635 /nfs/dbraw/zinc/63/76/35/1166637635.db2.gz YADIXAWTPSMTRY-UHFFFAOYSA-N 0 1 204.317 2.001 20 0 BEADMN Cc1cnn(C)c1CNc1ccc2c[nH]nc2c1 ZINC000394892341 1166649940 /nfs/dbraw/zinc/64/99/40/1166649940.db2.gz XBRLWWFZGUBYNN-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN C[NH+](C)CCCc1ccc([O-])c(F)c1F ZINC000396147526 1166654284 /nfs/dbraw/zinc/65/42/84/1166654284.db2.gz LZHMPHJRYPIBGP-UHFFFAOYSA-N 0 1 215.243 2.165 20 0 BEADMN COc1cnccc1Nc1cncc(Cl)c1 ZINC001211258214 970202814 /nfs/dbraw/zinc/20/28/14/970202814.db2.gz YXOXPWMRLVDAGP-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN Cc1nc(CN[C@@H]2CCOC(C)(C)C2)c(C)o1 ZINC001255524533 970283884 /nfs/dbraw/zinc/28/38/84/970283884.db2.gz XTMBVMUNHJIKFB-LLVKDONJSA-N 0 1 238.331 2.339 20 0 BEADMN C[C@@H]1CC[C@H](NC2(c3ncccn3)CC2)C1 ZINC001170115668 970337707 /nfs/dbraw/zinc/33/77/07/970337707.db2.gz AHSFHLQXFRBBSF-MNOVXSKESA-N 0 1 217.316 2.244 20 0 BEADMN COC[C@H](C)N1CCC[C@@H]1c1cc(C)on1 ZINC001255567756 970360454 /nfs/dbraw/zinc/36/04/54/970360454.db2.gz JQLQOCSCNJDIEN-JOYOIKCWSA-N 0 1 224.304 2.155 20 0 BEADMN C[C@H](CC(F)(F)F)N1CC2(C1)CCCOC2 ZINC001255653794 970430630 /nfs/dbraw/zinc/43/06/30/970430630.db2.gz WEMIWXUDHSWXQS-SECBINFHSA-N 0 1 237.265 2.440 20 0 BEADMN Cc1cc(CNC[C@@H](C)c2ccccn2)no1 ZINC000692881846 1166791679 /nfs/dbraw/zinc/79/16/79/1166791679.db2.gz AURPBDPOMIDIHY-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN CC[C@H]1C[C@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001170205467 970572366 /nfs/dbraw/zinc/57/23/66/970572366.db2.gz ACNSANKUFXTRDP-USZNOCQGSA-N 0 1 233.302 2.326 20 0 BEADMN Cc1csc(CNCC2SCCS2)n1 ZINC000692888170 1166837178 /nfs/dbraw/zinc/83/71/78/1166837178.db2.gz HEZJMMKPNLJUGD-UHFFFAOYSA-N 0 1 246.426 2.347 20 0 BEADMN COc1ccc(CCCN2CCO[C@@H]3C[C@@H]32)cc1 ZINC001207586232 1166837277 /nfs/dbraw/zinc/83/72/77/1166837277.db2.gz XKPSUSKTSSNCBP-LSDHHAIUSA-N 0 1 247.338 2.101 20 0 BEADMN CC[C@H]1C[C@@H](N2CC(OC(C)C)C2)CCO1 ZINC001170240457 970615969 /nfs/dbraw/zinc/61/59/69/970615969.db2.gz QKORDSCSCSUMNZ-RYUDHWBXSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(=O)[O-] ZINC000401441318 970693893 /nfs/dbraw/zinc/69/38/93/970693893.db2.gz LTQXJXASYCNMQY-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN O=C1CCN(CC2CCSCC2)CC[C@H]1F ZINC001207696890 1166930786 /nfs/dbraw/zinc/93/07/86/1166930786.db2.gz POXQLYPQNNFTON-LLVKDONJSA-N 0 1 245.363 2.133 20 0 BEADMN CCCOC(=O)c1cccc2[nH]ncc21 ZINC000729071273 1166970380 /nfs/dbraw/zinc/97/03/80/1166970380.db2.gz HJTDEPLVHBFTLL-UHFFFAOYSA-N 0 1 204.229 2.130 20 0 BEADMN OC[C@@H](CC1CCCC1)NCc1nccs1 ZINC000381797360 1166979290 /nfs/dbraw/zinc/97/92/90/1166979290.db2.gz CCAAPFPSPKIBPG-LLVKDONJSA-N 0 1 240.372 2.174 20 0 BEADMN CC[C@@H](F)CN(C)C[C@H](C)NC(=O)CC(C)C ZINC001268719631 1166982075 /nfs/dbraw/zinc/98/20/75/1166982075.db2.gz MAWYLMGFSMPXIL-NWDGAFQWSA-N 0 1 246.370 2.217 20 0 BEADMN F[C@@H]1CCN([C@H]2CCc3ncsc3C2)C1 ZINC001173130196 975039509 /nfs/dbraw/zinc/03/95/09/975039509.db2.gz TVZHYATZFGZXTI-BDAKNGLRSA-N 0 1 226.320 2.044 20 0 BEADMN Cn1cccc1CN1CCCC[C@@H](F)C1 ZINC001203254146 975055678 /nfs/dbraw/zinc/05/56/78/975055678.db2.gz GWPQVEVDQRQCFK-LLVKDONJSA-N 0 1 210.296 2.349 20 0 BEADMN CC[C@H](C)Oc1n[nH]c(=O)cc1Br ZINC001226846249 975120724 /nfs/dbraw/zinc/12/07/24/975120724.db2.gz LOLZKHHMHONTDF-YFKPBYRVSA-N 0 1 247.092 2.122 20 0 BEADMN COc1nc(OC(C(C)C)C(C)C)cc(=O)[nH]1 ZINC001227000381 975215025 /nfs/dbraw/zinc/21/50/25/975215025.db2.gz KAZUVQGIVFWSOU-UHFFFAOYSA-N 0 1 240.303 2.250 20 0 BEADMN C[C@@H](N[C@@H](C)C1(C)CC1)c1csnn1 ZINC000398328977 1167054052 /nfs/dbraw/zinc/05/40/52/1167054052.db2.gz MEUAPOZATORABY-SFYZADRCSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)C1(C)CC1 ZINC000398328973 1167055133 /nfs/dbraw/zinc/05/51/33/1167055133.db2.gz MEUAPOZATORABY-JGVFFNPUSA-N 0 1 211.334 2.377 20 0 BEADMN CC(=O)c1ccc(C)cc1O[C@H]1CCN(C)C1 ZINC001227113806 975283123 /nfs/dbraw/zinc/28/31/23/975283123.db2.gz HSIDTBHPNAVEKL-LBPRGKRZSA-N 0 1 233.311 2.281 20 0 BEADMN Cc1[nH]c(=O)nc(O[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC001227111362 975280657 /nfs/dbraw/zinc/28/06/57/975280657.db2.gz KKHQWUWGNAKYTL-RNLVFQAGSA-N 0 1 240.690 2.321 20 0 BEADMN CCN1CC[C@@H](Oc2ncccc2Cl)C1 ZINC001227116549 975284692 /nfs/dbraw/zinc/28/46/92/975284692.db2.gz UYEHFLLQVNXKSE-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN COC(=O)CCCC[C@@H](C)NCC(C)(F)F ZINC001173438511 975373971 /nfs/dbraw/zinc/37/39/71/975373971.db2.gz PNGDQMFDTYZTOV-SECBINFHSA-N 0 1 237.290 2.353 20 0 BEADMN C[C@H](NCc1cncs1)c1ccc[nH]1 ZINC000308573101 1167191809 /nfs/dbraw/zinc/19/18/09/1167191809.db2.gz CRGMXOGPKVYEGI-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN C[C@H]1COCC[C@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929187 1167195650 /nfs/dbraw/zinc/19/56/50/1167195650.db2.gz BDKRAKGWQHDYJX-TVQRCGJNSA-N 0 1 232.283 2.367 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCCC[C@@H]1C ZINC001227597359 975569835 /nfs/dbraw/zinc/56/98/35/975569835.db2.gz BFNQBQIRILCWDF-IONNQARKSA-N 0 1 239.344 2.426 20 0 BEADMN CO[C@@H](C)CNCc1csc(C(C)C)n1 ZINC000308946467 1167224684 /nfs/dbraw/zinc/22/46/84/1167224684.db2.gz NVRQZHOQPBYMEA-VIFPVBQESA-N 0 1 228.361 2.391 20 0 BEADMN CC(C)OC(=O)CN1CCC2(CCCC2)C1 ZINC000309139041 1167258716 /nfs/dbraw/zinc/25/87/16/1167258716.db2.gz TYIPRLQVJXTAEG-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1ccccc1-n1cnc(C)c1N ZINC001173969354 976034369 /nfs/dbraw/zinc/03/43/69/976034369.db2.gz HJNBOWQKQGGNJQ-UHFFFAOYSA-N 0 1 201.273 2.325 20 0 BEADMN O=C(NCCC(F)F)c1ccc(O)c(Cl)c1 ZINC000309285072 1167280274 /nfs/dbraw/zinc/28/02/74/1167280274.db2.gz GKCKPAACUYMWHQ-UHFFFAOYSA-N 0 1 249.644 2.431 20 0 BEADMN C[C@@H](Oc1nc(O)cc(=O)[nH]1)c1cccs1 ZINC001228390107 976182390 /nfs/dbraw/zinc/18/23/90/976182390.db2.gz JLEJJICMJZDVLF-ZCFIWIBFSA-N 0 1 238.268 2.089 20 0 BEADMN Cc1ccncc1Nc1ccnc(CO)c1 ZINC001174116391 976330716 /nfs/dbraw/zinc/33/07/16/976330716.db2.gz SJUIWTRRESMEHW-UHFFFAOYSA-N 0 1 215.256 2.021 20 0 BEADMN CCC[C@@H](O)CNCc1cc(F)c(F)cc1F ZINC000225278708 1167362973 /nfs/dbraw/zinc/36/29/73/1167362973.db2.gz BVNQCNYLOXXDAU-SECBINFHSA-N 0 1 247.260 2.355 20 0 BEADMN COC(=O)c1ccc(OC)nc1NC=C(C)C ZINC001174558357 976870888 /nfs/dbraw/zinc/87/08/88/976870888.db2.gz YEUROJNNKACMIB-UHFFFAOYSA-N 0 1 236.271 2.212 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H](C)CCC(C)C)n1 ZINC001230280563 977155376 /nfs/dbraw/zinc/15/53/76/977155376.db2.gz VPCPMJGTFLLQIY-SECBINFHSA-N 0 1 240.303 2.400 20 0 BEADMN CCCC(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001230620244 977275105 /nfs/dbraw/zinc/27/51/05/977275105.db2.gz UEZKCTZHCBJOOB-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)(C)ONC(=O)[C@H]1Cc2ccccc21 ZINC000149067353 1167442708 /nfs/dbraw/zinc/44/27/08/1167442708.db2.gz YXEDIMYDTJAENN-NSHDSACASA-N 0 1 219.284 2.173 20 0 BEADMN CN1CC[C@H](Oc2cc(F)c(F)cc2F)C1 ZINC001229218148 1167452779 /nfs/dbraw/zinc/45/27/79/1167452779.db2.gz OKHMYQYQMZCNME-ZETCQYMHSA-N 0 1 231.217 2.187 20 0 BEADMN COC(=O)c1ccnc(CN2CCCCCC2)c1 ZINC000214016665 1167513991 /nfs/dbraw/zinc/51/39/91/1167513991.db2.gz PBONNDARZMMBES-UHFFFAOYSA-N 0 1 248.326 2.244 20 0 BEADMN COC(=O)c1ccnc(CN2CCC(C)CC2)c1 ZINC000214016617 1167514243 /nfs/dbraw/zinc/51/42/43/1167514243.db2.gz XYYWUQWEGZGJKP-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN Cc1cc(C[N@@H+](C)CCCC(=O)[O-])c(C)o1 ZINC001594301971 977610865 /nfs/dbraw/zinc/61/08/65/977610865.db2.gz CJNAQNYBCPAOOY-UHFFFAOYSA-N 0 1 225.288 2.193 20 0 BEADMN Cc1noc([C@H](N[C@H]2CC[C@H]2C)C(C)C)n1 ZINC000381285704 1167538817 /nfs/dbraw/zinc/53/88/17/1167538817.db2.gz ZNWLQDCFAALWKV-DVVUODLYSA-N 0 1 223.320 2.463 20 0 BEADMN CCC(=O)N(C)C1CN(CCCC(C)(C)C)C1 ZINC001277538247 977637146 /nfs/dbraw/zinc/63/71/46/977637146.db2.gz QCXWQIPFQJUHHR-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1ccc(CN2CC([C@@H](C)OC)C2)nc1 ZINC001231643076 977662000 /nfs/dbraw/zinc/66/20/00/977662000.db2.gz XWPULSXSGDWDCT-LLVKDONJSA-N 0 1 234.343 2.111 20 0 BEADMN O=c1cc(Nc2cscn2)nc(Cl)[nH]1 ZINC001175940096 977800775 /nfs/dbraw/zinc/80/07/75/977800775.db2.gz FDWFOOFCWPBZHO-UHFFFAOYSA-N 0 1 228.664 2.036 20 0 BEADMN CCN1CCN(c2cc(Cl)ccn2)[C@H](C)C1 ZINC001336622550 977817276 /nfs/dbraw/zinc/81/72/76/977817276.db2.gz CKCOCYDWZCUKFD-SNVBAGLBSA-N 0 1 239.750 2.265 20 0 BEADMN CSCCN(C)Cc1cnc(F)cc1C ZINC001231985440 977822012 /nfs/dbraw/zinc/82/20/12/977822012.db2.gz LODFWFSZBCIFPT-UHFFFAOYSA-N 0 1 228.336 2.324 20 0 BEADMN Fc1c(Cl)nccc1Nc1ncc[nH]1 ZINC001176080729 977877826 /nfs/dbraw/zinc/87/78/26/977877826.db2.gz WTQORJHHVRTIEE-UHFFFAOYSA-N 0 1 212.615 2.341 20 0 BEADMN Cc1scnc1CN1CCCC[C@](C)(O)C1 ZINC001232200896 977924178 /nfs/dbraw/zinc/92/41/78/977924178.db2.gz BBDZBYRDQRSLPP-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1ncc(-n2[nH]c(=O)c3ccc(N)cc32)s1 ZINC001212141783 1167616987 /nfs/dbraw/zinc/61/69/87/1167616987.db2.gz KDEUTAFTLFIBDJ-UHFFFAOYSA-N 0 1 246.295 2.078 20 0 BEADMN Cc1scnc1CN1C[C@H](CO)CC[C@H]1C ZINC001232204533 977926608 /nfs/dbraw/zinc/92/66/08/977926608.db2.gz PNPIIYDDSNCVAL-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](CO)CC1 ZINC001232209932 977937093 /nfs/dbraw/zinc/93/70/93/977937093.db2.gz JDCRZIFINQELIT-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN CO[C@H]1CCN(Cc2cnsc2)[C@H](C)C1 ZINC001232232770 977970560 /nfs/dbraw/zinc/97/05/60/977970560.db2.gz XPSOYMMEHJFKEX-KOLCDFICSA-N 0 1 226.345 2.142 20 0 BEADMN CN(CCc1ccccn1)Cc1cc(F)ccn1 ZINC001232489427 1167689072 /nfs/dbraw/zinc/68/90/72/1167689072.db2.gz CIHKCPSLBJSADI-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000723125123 978172096 /nfs/dbraw/zinc/17/20/96/978172096.db2.gz FTJZJEOPMCUPNV-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN CCC[C@H]1CCCN1Cc1cnn(CC)n1 ZINC001176783250 978179867 /nfs/dbraw/zinc/17/98/67/978179867.db2.gz TUNBTYWURLCJFR-LBPRGKRZSA-N 0 1 222.336 2.063 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C)ns1 ZINC001176915371 978258907 /nfs/dbraw/zinc/25/89/07/978258907.db2.gz JOENZJBPQXGSNK-WDEREUQCSA-N 0 1 226.345 2.061 20 0 BEADMN Cc1cc(CN2CC[C@](C)(O)C2)c(F)cc1F ZINC001232783621 978279821 /nfs/dbraw/zinc/27/98/21/978279821.db2.gz BDXDTWCKSXLXMN-ZDUSSCGKSA-N 0 1 241.281 2.230 20 0 BEADMN CCCn1cnc(CN2CCC[C@H]2C)c1 ZINC001232795877 978286333 /nfs/dbraw/zinc/28/63/33/978286333.db2.gz POJVDTNSPDHSLW-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN Fc1ccccc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001203353447 978310703 /nfs/dbraw/zinc/31/07/03/978310703.db2.gz FYANFEQUBFNEDO-WCQYABFASA-N 0 1 221.275 2.046 20 0 BEADMN C[C@H]1C[C@H](n2ccnc2CN)C[C@@H](C)C1 ZINC000252183822 1167750105 /nfs/dbraw/zinc/75/01/05/1167750105.db2.gz TZZSZEHFXYXUAE-URLYPYJESA-N 0 1 207.321 2.339 20 0 BEADMN CN1CC2(C1)CN(Cc1ccsc1Cl)C2 ZINC001233059883 978451793 /nfs/dbraw/zinc/45/17/93/978451793.db2.gz PYQUBRGZGGNJQK-UHFFFAOYSA-N 0 1 242.775 2.149 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](C(F)F)C2)o1 ZINC001233367272 978579313 /nfs/dbraw/zinc/57/93/13/978579313.db2.gz WGTPQSUJSOVFMH-SECBINFHSA-N 0 1 230.258 2.460 20 0 BEADMN CC(C)=C(F)C(=O)N(C)C[C@H]1CCN1C(C)C ZINC001233663589 978666095 /nfs/dbraw/zinc/66/60/95/978666095.db2.gz ODVCOLYYTRRBFJ-LLVKDONJSA-N 0 1 242.338 2.191 20 0 BEADMN CCN1CC[C@H](Oc2cc(Cl)ncc2F)C1 ZINC001233911598 978727802 /nfs/dbraw/zinc/72/78/02/978727802.db2.gz NWWZLODAMCCLBJ-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN CC[C@H](C)C(=O)NCCCN(C)C/C=C/Cl ZINC001234136907 978782021 /nfs/dbraw/zinc/78/20/21/978782021.db2.gz MDKCDXPDOIYZFR-ZRQQLDRUSA-N 0 1 246.782 2.223 20 0 BEADMN CCN(CC)CC(=O)Nc1cnoc1C(C)C ZINC001339146962 978805327 /nfs/dbraw/zinc/80/53/27/978805327.db2.gz AOQZHYPXNWMJPO-UHFFFAOYSA-N 0 1 239.319 2.078 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCCSC1 ZINC001339176559 978810884 /nfs/dbraw/zinc/81/08/84/978810884.db2.gz FMWGQEHSCAXYAU-UHFFFAOYSA-N 0 1 241.287 2.068 20 0 BEADMN CC/C=C\CCCN1CC[C@H](N)C(F)(F)C1 ZINC001235911210 979202880 /nfs/dbraw/zinc/20/28/80/979202880.db2.gz FAWACELQYVTDQR-BYCRGOAPSA-N 0 1 232.318 2.401 20 0 BEADMN Oc1c(F)cc(F)c(-c2ccnnc2)c1F ZINC001235995432 979283530 /nfs/dbraw/zinc/28/35/30/979283530.db2.gz FQTOKZYTFVHGSV-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cnc(C(C)C)[nH]1 ZINC001341389883 979359139 /nfs/dbraw/zinc/35/91/39/979359139.db2.gz YGZIEPWICPCTGZ-VIFPVBQESA-N 0 1 239.319 2.335 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)c(F)c2C)C1 ZINC001237155523 1168246402 /nfs/dbraw/zinc/24/64/02/1168246402.db2.gz RYECCAWZVPVQSK-NSHDSACASA-N 0 1 241.281 2.494 20 0 BEADMN Cc1cnc(Nc2ccncc2)nc1C ZINC000140838448 1168252715 /nfs/dbraw/zinc/25/27/15/1168252715.db2.gz NWJHQXUAANGLPJ-UHFFFAOYSA-N 0 1 200.245 2.232 20 0 BEADMN CCOc1ncc(CN(C)C2CC2)cc1F ZINC001236691517 979691188 /nfs/dbraw/zinc/69/11/88/979691188.db2.gz WKVMLLKPKIFROD-UHFFFAOYSA-N 0 1 224.279 2.214 20 0 BEADMN FC(F)c1ccc(CNCc2nnc[nH]2)cc1 ZINC000150109297 1168326158 /nfs/dbraw/zinc/32/61/58/1168326158.db2.gz LEZQNUKRERKTMV-UHFFFAOYSA-N 0 1 238.241 2.032 20 0 BEADMN Cc1c(CN2CC[C@](C)(O)C2)ccc(F)c1F ZINC001237154307 979822365 /nfs/dbraw/zinc/82/23/65/979822365.db2.gz MZEDPWUVNBDPCR-ZDUSSCGKSA-N 0 1 241.281 2.230 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2occc2[S-])[C@H]1CO ZINC001237179057 979828803 /nfs/dbraw/zinc/82/88/03/979828803.db2.gz CARRLKPKEKZSJJ-UWVGGRQHSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2occc2[S-])[C@H]1CO ZINC001237179057 979828807 /nfs/dbraw/zinc/82/88/07/979828807.db2.gz CARRLKPKEKZSJJ-UWVGGRQHSA-N 0 1 241.356 2.161 20 0 BEADMN CC(C)[C@@H]1CN(CC2OC=CC2=S)CCO1 ZINC001237184729 979837913 /nfs/dbraw/zinc/83/79/13/979837913.db2.gz QCCKGBDPGZWXOY-JTQLQIEISA-N 0 1 241.356 2.425 20 0 BEADMN CC[N@@H+](Cc1occc1C)[C@@H](C(=O)[O-])C1CC1 ZINC001605463176 979878928 /nfs/dbraw/zinc/87/89/28/979878928.db2.gz LHSCWHKAXKFTLD-GFCCVEGCSA-N 0 1 237.299 2.273 20 0 BEADMN CC(=O)CN(C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168723257 1168375582 /nfs/dbraw/zinc/37/55/82/1168375582.db2.gz XQLSMOKTCVKEFR-NSHDSACASA-N 0 1 237.730 2.328 20 0 BEADMN C[C@H]1CCN1Cc1ccnc(OC(F)F)c1 ZINC001237610386 979974364 /nfs/dbraw/zinc/97/43/64/979974364.db2.gz FWNWKNKSYSXGDB-QMMMGPOBSA-N 0 1 228.242 2.277 20 0 BEADMN FC(F)(F)c1cccnc1CNC1CSC1 ZINC001343076867 979999324 /nfs/dbraw/zinc/99/93/24/979999324.db2.gz IKMIGAIAQOTYTE-UHFFFAOYSA-N 0 1 248.273 2.305 20 0 BEADMN CCc1[nH]ncc1CN(C)Cc1cncs1 ZINC001237653861 980018997 /nfs/dbraw/zinc/01/89/97/980018997.db2.gz RDOXGVQXIMNKHJ-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCC3(CCC3)O2)o1 ZINC000711480719 1168405686 /nfs/dbraw/zinc/40/56/86/1168405686.db2.gz IZVJFLZYGDZHBR-NSHDSACASA-N 0 1 236.315 2.174 20 0 BEADMN CN(Cc1c(N)ccnc1F)C[C@@H]1CC1(C)C ZINC001238158910 980187138 /nfs/dbraw/zinc/18/71/38/980187138.db2.gz FJUVNKFIVIOOLY-VIFPVBQESA-N 0 1 237.322 2.281 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)n[nH]1 ZINC001344382007 980380989 /nfs/dbraw/zinc/38/09/89/980380989.db2.gz SHENJFOXBGTMIX-PSASIEDQSA-N 0 1 247.264 2.491 20 0 BEADMN CCC(CC)COC(=O)N1CCNC[C@H]1CC ZINC001239333940 980541878 /nfs/dbraw/zinc/54/18/78/980541878.db2.gz KDJPIFDJBQFHQN-GFCCVEGCSA-N 0 1 242.363 2.243 20 0 BEADMN Cc1cc2nccn2cc1N[C@H]1CCCOC1 ZINC001169666041 1168500120 /nfs/dbraw/zinc/50/01/20/1168500120.db2.gz MUQQBFVCALYJSD-NSHDSACASA-N 0 1 231.299 2.234 20 0 BEADMN C/C=C(\C)COC(=O)[C@H]1CCCN1C(C)C ZINC001345195339 980582891 /nfs/dbraw/zinc/58/28/91/980582891.db2.gz ZFUGQHKQPIUJRF-JXDHDYMSSA-N 0 1 225.332 2.369 20 0 BEADMN Nc1cc(-c2cc(F)c(O)c(F)c2)ncc1F ZINC001244091917 1168549330 /nfs/dbraw/zinc/54/93/30/1168549330.db2.gz MZQWCKDYYAYVRV-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Cc1cc(F)ccc1-c1cnc(CN)nc1 ZINC001239737849 980884853 /nfs/dbraw/zinc/88/48/53/980884853.db2.gz HEKMKISAKLMPND-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN O=C(NCCC1CCCCC1)c1[nH]ncc1F ZINC001136203045 1168615668 /nfs/dbraw/zinc/61/56/68/1168615668.db2.gz OBANSOZQIBUUHL-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)NCc1n[nH]c(C)c1C ZINC001347614435 981128492 /nfs/dbraw/zinc/12/84/92/981128492.db2.gz SGZARDAICLSTMC-DTWKUNHWSA-N 0 1 237.347 2.325 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1CC(C)(C)C1 ZINC001348379428 981350697 /nfs/dbraw/zinc/35/06/97/981350697.db2.gz AWJCZHMQKSOIDJ-UHFFFAOYSA-N 0 1 222.288 2.311 20 0 BEADMN c1nc(CN[C@@H]2C=CCCC2)cn1C1CC1 ZINC001348538732 981386719 /nfs/dbraw/zinc/38/67/19/981386719.db2.gz ZIVAZJCEQQABHF-LLVKDONJSA-N 0 1 217.316 2.416 20 0 BEADMN CC/C=C/NC(=O)c1ccc(F)c(O)c1F ZINC001193792770 981440078 /nfs/dbraw/zinc/44/00/78/981440078.db2.gz DYFOCPMITFPLJJ-ZZXKWVIFSA-N 0 1 227.210 2.324 20 0 BEADMN C=Cc1ccccc1Nc1nccnc1CN ZINC001171447513 1168672829 /nfs/dbraw/zinc/67/28/29/1168672829.db2.gz GDPCMHUJEYYWTK-UHFFFAOYSA-N 0 1 226.283 2.322 20 0 BEADMN NCc1nccnc1Nc1ccc2ccoc2c1 ZINC001171447418 1168672276 /nfs/dbraw/zinc/67/22/76/1168672276.db2.gz FATLHGVDFLFDID-UHFFFAOYSA-N 0 1 240.266 2.425 20 0 BEADMN NCc1nccnc1Nc1ccc2c(c1)C=CC2 ZINC001171447553 1168672460 /nfs/dbraw/zinc/67/24/60/1168672460.db2.gz HLLFOYMYWBPHQB-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CC(C)COC(=O)Nc1ncc(F)cc1O ZINC001193808491 981456245 /nfs/dbraw/zinc/45/62/45/981456245.db2.gz ZLSJQYVPFVFATI-UHFFFAOYSA-N 0 1 228.223 2.131 20 0 BEADMN CC[C@H](C)OCC[C@H](C)NCc1ncccn1 ZINC001172313923 1168679508 /nfs/dbraw/zinc/67/95/08/1168679508.db2.gz DHCTVJDYSZBUNL-RYUDHWBXSA-N 0 1 237.347 2.160 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC[C@@H](F)C2)[nH]1 ZINC001349644616 981606285 /nfs/dbraw/zinc/60/62/85/981606285.db2.gz OWWIDIYMUGLZHJ-SECBINFHSA-N 0 1 239.294 2.107 20 0 BEADMN c1csc(Nc2ccc3n[nH]nc3c2)n1 ZINC001175996117 1168701302 /nfs/dbraw/zinc/70/13/02/1168701302.db2.gz OTGZJHWVMQMMTF-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN c1csc(Nc2ccc3nn[nH]c3c2)n1 ZINC001175996117 1168701309 /nfs/dbraw/zinc/70/13/09/1168701309.db2.gz OTGZJHWVMQMMTF-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN CCCCN1CCN(C(=O)O[C@H](C)CC)CC1 ZINC001195103882 982044143 /nfs/dbraw/zinc/04/41/43/982044143.db2.gz GLHKLBJKRHJGFN-GFCCVEGCSA-N 0 1 242.363 2.339 20 0 BEADMN CC[C@H]1CCN(Cc2csnc2OC)C1 ZINC001191558702 1168783283 /nfs/dbraw/zinc/78/32/83/1168783283.db2.gz HQVUMZOEYAKBQJ-VIFPVBQESA-N 0 1 226.345 2.384 20 0 BEADMN Cc1cn(C)nc1CN1CCSCC[C@@H]1C ZINC001351400011 982310669 /nfs/dbraw/zinc/31/06/69/982310669.db2.gz OWCCCJGLCQRBME-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CCCC1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000080100508 1168807879 /nfs/dbraw/zinc/80/78/79/1168807879.db2.gz SIFVZIONIRRYNP-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN CCN(C)C(=O)c1cc(Cl)c(F)cc1O ZINC001196453171 1168814436 /nfs/dbraw/zinc/81/44/36/1168814436.db2.gz KEBUJRCXBRQTKH-UHFFFAOYSA-N 0 1 231.654 2.277 20 0 BEADMN O=C(c1cc(Cl)c(F)cc1O)N1CCCC1 ZINC001196452842 1168815028 /nfs/dbraw/zinc/81/50/28/1168815028.db2.gz IHLTUQOCLBLMSF-UHFFFAOYSA-N 0 1 243.665 2.421 20 0 BEADMN Cc1cn[nH]c1CSCc1nn(C)cc1C ZINC001352748777 982565940 /nfs/dbraw/zinc/56/59/40/982565940.db2.gz HHXTZZUSPRRGSY-UHFFFAOYSA-N 0 1 236.344 2.193 20 0 BEADMN Fc1ccc2c(c1)CN(C[C@@H]1CCOC1)C2 ZINC001202503484 1168877904 /nfs/dbraw/zinc/87/79/04/1168877904.db2.gz NLKMRRJGWQAPKZ-JTQLQIEISA-N 0 1 221.275 2.178 20 0 BEADMN CCC[C@@H](C)C(=O)NC[C@@H](C)N(CC)CCF ZINC001152460554 982745988 /nfs/dbraw/zinc/74/59/88/982745988.db2.gz SEEUQUYCNKRKHZ-VXGBXAGGSA-N 0 1 246.370 2.219 20 0 BEADMN COCNC(=S)Nc1ccccc1SC ZINC001198835185 982842076 /nfs/dbraw/zinc/84/20/76/982842076.db2.gz HEPBZDCXJWPDLN-UHFFFAOYSA-N 0 1 242.369 2.299 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCCSC1 ZINC001353822440 983017597 /nfs/dbraw/zinc/01/75/97/983017597.db2.gz CPKUNUYZXHOXCD-UHFFFAOYSA-N 0 1 241.287 2.068 20 0 BEADMN CCn1cnc(N=C2CCSCC2)c1 ZINC001201334305 983193859 /nfs/dbraw/zinc/19/38/59/983193859.db2.gz RRNVBMXUWJCSDO-UHFFFAOYSA-N 0 1 209.318 2.336 20 0 BEADMN O=C(CN[C@H]1CCCSC1)c1ccccc1 ZINC001257657315 1169119533 /nfs/dbraw/zinc/11/95/33/1169119533.db2.gz ABRNZQOGSZLHDZ-LBPRGKRZSA-N 0 1 235.352 2.355 20 0 BEADMN CCONC(=O)[C@]1(C)CCCc2ccccc21 ZINC000159470373 1169131890 /nfs/dbraw/zinc/13/18/90/1169131890.db2.gz DUMWBJORJBVISW-CQSZACIVSA-N 0 1 233.311 2.348 20 0 BEADMN Cc1cnc(-c2ccnn2C(C)C)cc1N ZINC001242554301 983873223 /nfs/dbraw/zinc/87/32/23/983873223.db2.gz VVSSDCPOSWHWGY-UHFFFAOYSA-N 0 1 216.288 2.417 20 0 BEADMN CC[C@@H]1CCN(Cc2nn(CC)nc2C)[C@@H]1C ZINC001473402561 983884150 /nfs/dbraw/zinc/88/41/50/983884150.db2.gz KYTHNGPSSILQOL-VXGBXAGGSA-N 0 1 236.363 2.227 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1(SC)CCC1 ZINC000308838728 950655318 /nfs/dbraw/zinc/65/53/18/950655318.db2.gz XPXVMYAEAFKFFJ-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CC1(C)CCCC1 ZINC000309019026 950662478 /nfs/dbraw/zinc/66/24/78/950662478.db2.gz SOHDSMUZHXONRF-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCOCC[C@H](C)NCc1nccc(Cl)n1 ZINC001172415497 974681696 /nfs/dbraw/zinc/68/16/96/974681696.db2.gz WDZUJVNYWHIHLH-VIFPVBQESA-N 0 1 243.738 2.035 20 0 BEADMN CCCc1cc(C(=O)N(C)CC2CCC2)n[nH]1 ZINC000111070812 1169263926 /nfs/dbraw/zinc/26/39/26/1169263926.db2.gz AGMJWEFBDCUYJO-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)C=C1CCCC1 ZINC000756145213 1169281557 /nfs/dbraw/zinc/28/15/57/1169281557.db2.gz DEHQGPPGCQWMSB-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1nonc1CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000782105816 1169292740 /nfs/dbraw/zinc/29/27/40/1169292740.db2.gz DWDRYYHPMTXPSJ-ZWNOBZJWSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1cc(CC(=O)OC[C@H](C)CC(C)C)n[nH]1 ZINC000798633001 1169297127 /nfs/dbraw/zinc/29/71/27/1169297127.db2.gz GAFLTGDXWREONF-SNVBAGLBSA-N 0 1 238.331 2.486 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)C(C)(C)C1 ZINC001172447931 974811293 /nfs/dbraw/zinc/81/12/93/974811293.db2.gz IVEGTRVCKRXTLO-LBPRGKRZSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1nnc(S[C@@H]2CCOC(C)(C)C2)[nH]1 ZINC001327353008 972557099 /nfs/dbraw/zinc/55/70/99/972557099.db2.gz IWRXKODGTIRKHW-MRVPVSSYSA-N 0 1 227.333 2.163 20 0 BEADMN COC(=O)C[C@H](C)Nc1ccc(C)c(C)n1 ZINC001160528136 972681568 /nfs/dbraw/zinc/68/15/68/972681568.db2.gz GKQZUXXYULSVCS-VIFPVBQESA-N 0 1 222.288 2.062 20 0 BEADMN CCn1ccc2c1cccc2CN(C)C1COC1 ZINC001139153438 1169363948 /nfs/dbraw/zinc/36/39/48/1169363948.db2.gz KAAYXCSHRXEJEW-UHFFFAOYSA-N 0 1 244.338 2.492 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140274766 1169369249 /nfs/dbraw/zinc/36/92/49/1169369249.db2.gz HIPAZSSPUKINNK-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN Cc1nn(C)c(C)c1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001203053717 1169374871 /nfs/dbraw/zinc/37/48/71/1169374871.db2.gz UXPMXTRSEJCAFI-ZDUSSCGKSA-N 0 1 239.338 2.218 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1C ZINC001140857857 1169376546 /nfs/dbraw/zinc/37/65/46/1169376546.db2.gz BIUVWIFNTDZFJR-SDDRHHMPSA-N 0 1 222.307 2.421 20 0 BEADMN CCCCC1CCC(OCc2nn[nH]n2)CC1 ZINC001223028232 972808194 /nfs/dbraw/zinc/80/81/94/972808194.db2.gz ZBQLYOJVOFBHFJ-UHFFFAOYSA-N 0 1 238.335 2.465 20 0 BEADMN CCC(CC)N(CCOC)CC(=O)OC(C)C ZINC000043447065 973170617 /nfs/dbraw/zinc/17/06/17/973170617.db2.gz WVRAXGJTQZWZAD-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CSC[C@H]1CCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000400232494 973261379 /nfs/dbraw/zinc/26/13/79/973261379.db2.gz PDQVFJVMPAZQOS-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000402216739 970767667 /nfs/dbraw/zinc/76/76/67/970767667.db2.gz OUBIPEFARMLNHO-AAEUAGOBSA-N 0 1 223.316 2.282 20 0 BEADMN CN1CC2(C1)CCCN(c1ccsc1)C2 ZINC001276966995 973603484 /nfs/dbraw/zinc/60/34/84/973603484.db2.gz LSBYLGOYYFJHEG-UHFFFAOYSA-N 0 1 222.357 2.280 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H](C)CCC(C)C ZINC001256370489 970778028 /nfs/dbraw/zinc/77/80/28/970778028.db2.gz ITLUFNTWNYUGFU-QWRGUYRKSA-N 0 1 215.337 2.304 20 0 BEADMN Cn1cc(Nc2cc3[nH]ncc3c(F)c2)cn1 ZINC001215552404 970787627 /nfs/dbraw/zinc/78/76/27/970787627.db2.gz KQCFQEPZCJAOOX-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN Cn1cncc1Nc1cc2n[nH]cc2c(F)c1 ZINC001215553707 970788158 /nfs/dbraw/zinc/78/81/58/970788158.db2.gz CUWRSJAJKPZEDN-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN Cn1cncc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215553707 970788165 /nfs/dbraw/zinc/78/81/65/970788165.db2.gz CUWRSJAJKPZEDN-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN CC(=O)[C@@H]1CN([C@H](C)CCC(C)C)CCO1 ZINC001256373678 970790059 /nfs/dbraw/zinc/79/00/59/970790059.db2.gz DLCNKXPMLYAZLE-YPMHNXCESA-N 0 1 227.348 2.101 20 0 BEADMN CC(=O)[C@@H]1CN([C@@H](C)CCC(C)C)CCO1 ZINC001256373675 970791122 /nfs/dbraw/zinc/79/11/22/970791122.db2.gz DLCNKXPMLYAZLE-AAEUAGOBSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1coc(CN[C@H](C)Cc2ccccn2)n1 ZINC001256395429 970802310 /nfs/dbraw/zinc/80/23/10/970802310.db2.gz JVKKRXWPOHIXNH-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN COC(C)(CNc1nccc(C)c1C)OC ZINC001170433406 970810331 /nfs/dbraw/zinc/81/03/31/970810331.db2.gz BMOOOPSOSWCIGR-UHFFFAOYSA-N 0 1 224.304 2.119 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@@H](C)Cc1ccccn1)C2 ZINC001256420512 970825994 /nfs/dbraw/zinc/82/59/94/970825994.db2.gz BXBPUNVLYRPFCQ-QEJZJMRPSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001256414361 970821602 /nfs/dbraw/zinc/82/16/02/970821602.db2.gz LRTADPUOPUASGY-IMIFBBOLSA-N 0 1 234.318 2.302 20 0 BEADMN Cc1ccc(Nc2ccncc2)c2c[nH]nc21 ZINC001215753977 970826983 /nfs/dbraw/zinc/82/69/83/970826983.db2.gz IXUFZGXQRIUABH-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@H](C)Cc1ccccn1 ZINC001256421175 970827819 /nfs/dbraw/zinc/82/78/19/970827819.db2.gz IMDUPXCYCVERFR-IUODEOHRSA-N 0 1 246.354 2.456 20 0 BEADMN CCOC1CCC(N2Cc3cnn(C)c3C2)CC1 ZINC001256441995 970842225 /nfs/dbraw/zinc/84/22/25/970842225.db2.gz HTCJSCRWULULSK-UHFFFAOYSA-N 0 1 249.358 2.083 20 0 BEADMN CCOC1CCC(N2CCn3nccc3C2)CC1 ZINC001256446795 970845919 /nfs/dbraw/zinc/84/59/19/970845919.db2.gz GUQMNWQWYKIUDQ-UHFFFAOYSA-N 0 1 249.358 2.046 20 0 BEADMN COc1cnc(F)cc1Nc1c(C)ncn1C ZINC001215804810 970852653 /nfs/dbraw/zinc/85/26/53/970852653.db2.gz NELSXUZXRLRBGZ-UHFFFAOYSA-N 0 1 236.250 2.015 20 0 BEADMN OCc1cc(F)cc(-c2cccc3[nH]nnc32)c1 ZINC001243697075 970853314 /nfs/dbraw/zinc/85/33/14/970853314.db2.gz JERTZBATYNLBPJ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN COc1nccc(SC)c1Nc1ccncc1 ZINC001215926515 970875297 /nfs/dbraw/zinc/87/52/97/970875297.db2.gz UCFKSNVJELEGNF-UHFFFAOYSA-N 0 1 247.323 2.373 20 0 BEADMN CC(C)(C)N1CC(OCCC2CCOCC2)C1 ZINC001224547716 973758833 /nfs/dbraw/zinc/75/88/33/973758833.db2.gz NEKVANCAZHLHJD-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2[nH]nc3ncccc32)o1 ZINC001256624084 970890355 /nfs/dbraw/zinc/89/03/55/970890355.db2.gz GMSOAMRROFGQIC-HTRCEHHLSA-N 0 1 241.254 2.131 20 0 BEADMN CCC[C@H](OCCN1CCN(C)CC1)C(C)C ZINC001224551539 973767417 /nfs/dbraw/zinc/76/74/17/973767417.db2.gz HOMFOYNNSKFEKM-AWEZNQCLSA-N 0 1 242.407 2.075 20 0 BEADMN O=c1cccc(-c2ccc3nc[nH]c3c2)[nH]1 ZINC001243737678 970898369 /nfs/dbraw/zinc/89/83/69/970898369.db2.gz PWZJHWPEBXHNBQ-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC(C)c1ccc(N)c(Nc2nonc2N)c1 ZINC001216019016 970902651 /nfs/dbraw/zinc/90/26/51/970902651.db2.gz DHDXXBLLKPXKFH-UHFFFAOYSA-N 0 1 233.275 2.101 20 0 BEADMN Cc1ncn(-c2ccc(N)c(C(C)C)c2)c1N ZINC001216043318 970914297 /nfs/dbraw/zinc/91/42/97/970914297.db2.gz GZAAMTKTKMUHHV-UHFFFAOYSA-N 0 1 230.315 2.469 20 0 BEADMN Cc1c(F)nccc1-c1cccc2[nH]nnc21 ZINC001243778442 970918740 /nfs/dbraw/zinc/91/87/40/970918740.db2.gz GPQJYXMNFJGUNA-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403365211 970920485 /nfs/dbraw/zinc/92/04/85/970920485.db2.gz YTXACDYSZDVYEN-SECBINFHSA-N 0 1 238.114 2.102 20 0 BEADMN Cc1cc(Nc2cncn2C)cc(O)c1F ZINC001216078520 970930694 /nfs/dbraw/zinc/93/06/94/970930694.db2.gz HGVZNSXNJKCALF-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Nc1ccc(Nc2nnco2)c(C(F)(F)F)c1 ZINC001216130784 970950973 /nfs/dbraw/zinc/95/09/73/970950973.db2.gz KTJANLITSYCEEA-UHFFFAOYSA-N 0 1 244.176 2.414 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CC[C@@H](F)C1 ZINC001256734715 970957858 /nfs/dbraw/zinc/95/78/58/970957858.db2.gz BDOZDBHBXYDZSW-CMPLNLGQSA-N 0 1 208.280 2.056 20 0 BEADMN CCN(Cc1ccc2[nH]ccc2c1)C1COC1 ZINC001205598371 1169486283 /nfs/dbraw/zinc/48/62/83/1169486283.db2.gz DAAMCQQEQWQUFK-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN Cc1c(F)cncc1Nc1ccncc1 ZINC001216189845 970973517 /nfs/dbraw/zinc/97/35/17/970973517.db2.gz BDVMFPFBBSUNLY-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001256746326 970977084 /nfs/dbraw/zinc/97/70/84/970977084.db2.gz VFJPXHHNVZZLFR-AVGNSLFASA-N 0 1 234.343 2.122 20 0 BEADMN CC[C@H]1COCCN1[C@H](C)Cc1ccncc1 ZINC001256744879 970978645 /nfs/dbraw/zinc/97/86/45/970978645.db2.gz ANMOQVLEKCAYNT-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1cccc(CCN2CCn3nccc3C2)c1 ZINC001207537118 1169494538 /nfs/dbraw/zinc/49/45/38/1169494538.db2.gz UFUNGZBPUGPEAG-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN COC1CN([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256807139 970991293 /nfs/dbraw/zinc/99/12/93/970991293.db2.gz NYLMPLKFRKIXOE-DZGCQCFKSA-N 0 1 247.338 2.237 20 0 BEADMN COC1CN([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256807140 970991479 /nfs/dbraw/zinc/99/14/79/970991479.db2.gz NYLMPLKFRKIXOE-HIFRSBDPSA-N 0 1 247.338 2.237 20 0 BEADMN Fc1c2cc[nH]c2ncc1C1=CNCCC1 ZINC001243950453 971043484 /nfs/dbraw/zinc/04/34/84/971043484.db2.gz TVLAGPUMXDYMPM-UHFFFAOYSA-N 0 1 217.247 2.378 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000403813300 971070348 /nfs/dbraw/zinc/07/03/48/971070348.db2.gz KBVDPCBZKCZRNL-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cncs2)C1 ZINC001209549335 1169514109 /nfs/dbraw/zinc/51/41/09/1169514109.db2.gz ODXDQVKNKRPWOF-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN C[C@@H]1C[C@@H](NC2(c3ncccn3)CC2)C[C@H](C)O1 ZINC001257083100 971098549 /nfs/dbraw/zinc/09/85/49/971098549.db2.gz FFMYMQBFIPHDQE-ZSBIGDGJSA-N 0 1 247.342 2.011 20 0 BEADMN Cc1nc(Cl)cc(N=C2CCCOC2)n1 ZINC001216505003 971103383 /nfs/dbraw/zinc/10/33/83/971103383.db2.gz WGIUHUGQCPLHNZ-UHFFFAOYSA-N 0 1 225.679 2.155 20 0 BEADMN c1cc2c(ncnc2NC2=CCCOC2)s1 ZINC001216504568 971103459 /nfs/dbraw/zinc/10/34/59/971103459.db2.gz FWXWVJSWXRFJAO-UHFFFAOYSA-N 0 1 233.296 2.407 20 0 BEADMN c1cc2c(ccnc2N=C2CCCOC2)cn1 ZINC001216505871 971104668 /nfs/dbraw/zinc/10/46/68/971104668.db2.gz SZMOIOSXLSUKLN-UHFFFAOYSA-N 0 1 227.267 2.346 20 0 BEADMN COCCN(Cc1ccc(O)cc1F)C(C)C ZINC000404049848 971120109 /nfs/dbraw/zinc/12/01/09/971120109.db2.gz DTWOLTULRZHGQP-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN COC(=O)[C@@H]1CC[C@@H](N2CC[C@@H](C)[C@H](F)C2)C1 ZINC001170536162 971121298 /nfs/dbraw/zinc/12/12/98/971121298.db2.gz SLXURAQBZHAKCT-DDHJBXDOSA-N 0 1 243.322 2.008 20 0 BEADMN CCn1ncc2cc(Nc3nnco3)ccc21 ZINC001216588906 971134773 /nfs/dbraw/zinc/13/47/73/971134773.db2.gz QWMVYDRJEMXCMN-UHFFFAOYSA-N 0 1 229.243 2.183 20 0 BEADMN Cc1cc(Nc2cncn2C)c(C)cc1N ZINC001211251237 1169532936 /nfs/dbraw/zinc/53/29/36/1169532936.db2.gz WREBOKMBRRXEGL-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN Cn1cncc1CNCc1ccc2[nH]ccc2c1 ZINC000388357112 1169537175 /nfs/dbraw/zinc/53/71/75/1169537175.db2.gz FRLSFEMXIXHUEF-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CCC[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1 ZINC001257316516 971214244 /nfs/dbraw/zinc/21/42/44/971214244.db2.gz GETCDCPQZHIRDB-SNVBAGLBSA-N 0 1 242.363 2.384 20 0 BEADMN CCCC(CCC)N1CC(OC(C)=O)C1 ZINC001257340246 971247217 /nfs/dbraw/zinc/24/72/17/971247217.db2.gz UCISAEBLRUWFAN-UHFFFAOYSA-N 0 1 213.321 2.203 20 0 BEADMN c1cc([C@@H]2CN(C3CCCC3)CCO2)ccn1 ZINC001257355973 971269550 /nfs/dbraw/zinc/26/95/50/971269550.db2.gz OUROTFQMMSOTMN-AWEZNQCLSA-N 0 1 232.327 2.398 20 0 BEADMN CCCCCC[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001257368891 971286219 /nfs/dbraw/zinc/28/62/19/971286219.db2.gz LWZIDWXCZXUWKQ-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@H](C)[C@H]2C)o1 ZINC000405664357 971288341 /nfs/dbraw/zinc/28/83/41/971288341.db2.gz OOEHZDYJKGBNFK-FBIMIBRVSA-N 0 1 238.331 2.058 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@@H](C)[C@@H]2C)o1 ZINC000405664359 971289183 /nfs/dbraw/zinc/28/91/83/971289183.db2.gz OOEHZDYJKGBNFK-INTQDDNPSA-N 0 1 238.331 2.058 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@@H](C)[C@H]2C)o1 ZINC000405664353 971289218 /nfs/dbraw/zinc/28/92/18/971289218.db2.gz OOEHZDYJKGBNFK-DVVUODLYSA-N 0 1 238.331 2.058 20 0 BEADMN CCCCCC[C@H](C)N1CCn2nncc2C1 ZINC001257369326 971289708 /nfs/dbraw/zinc/28/97/08/971289708.db2.gz WULDIZLUARHHDA-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCC2CC2)[C@H]1C(=O)[O-] ZINC000405952755 971320112 /nfs/dbraw/zinc/32/01/12/971320112.db2.gz HKGSSVMXDZINEE-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCCC[C@@H](CC)N1CC(OC(C)=O)C1 ZINC001257423591 971322620 /nfs/dbraw/zinc/32/26/20/971322620.db2.gz SKPFNYMDGHOGFT-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1cccc(-c2nnc([C@@H]3CCN3)o2)c1 ZINC001217694214 971329409 /nfs/dbraw/zinc/32/94/09/971329409.db2.gz BVKLMFWEPLXCQW-JTQLQIEISA-N 0 1 215.256 2.079 20 0 BEADMN CCCC[C@@H](CC)N1CCO[C@@H](C(C)=O)C1 ZINC001257425974 971330370 /nfs/dbraw/zinc/33/03/70/971330370.db2.gz DEVJRPZWIODLDQ-CHWSQXEVSA-N 0 1 227.348 2.245 20 0 BEADMN CC[C@@H](C)N[C@@H]1C(=O)Nc2cccc(C)c21 ZINC001257427773 971334014 /nfs/dbraw/zinc/33/40/14/971334014.db2.gz TVELYBHBVBQOMB-SKDRFNHKSA-N 0 1 218.300 2.376 20 0 BEADMN Clc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217695701 971335828 /nfs/dbraw/zinc/33/58/28/971335828.db2.gz WDUDJRCHRMBHLV-VIFPVBQESA-N 0 1 235.674 2.424 20 0 BEADMN C[C@H]1C[C@H]1c1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702166 971344979 /nfs/dbraw/zinc/34/49/79/971344979.db2.gz JHESHBKRWWWBIR-UTINFBMNSA-N 0 1 221.304 2.254 20 0 BEADMN CC[C@H](C)NCc1nccc(OC(C)C)n1 ZINC001257436032 971346174 /nfs/dbraw/zinc/34/61/74/971346174.db2.gz HVWKZJIZHYBJRY-JTQLQIEISA-N 0 1 223.320 2.152 20 0 BEADMN CN[C@H](CC(C)C)c1nnc(C2CC2)o1 ZINC001217714454 971351587 /nfs/dbraw/zinc/35/15/87/971351587.db2.gz IRTABDHXIMEVQA-SECBINFHSA-N 0 1 209.293 2.254 20 0 BEADMN Cc1ccc(-c2nnc([C@H]3CCN3)o2)cc1F ZINC001217717387 971353266 /nfs/dbraw/zinc/35/32/66/971353266.db2.gz BCDBPBUDIVCXKC-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN CN[C@H](CC(C)C)c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217715779 971355058 /nfs/dbraw/zinc/35/50/58/971355058.db2.gz ZCDQGEFJGBBNCO-OPRDCNLKSA-N 0 1 223.320 2.500 20 0 BEADMN CCCc1nnc([C@](C)(N)CC(C)C)o1 ZINC001217733974 971373149 /nfs/dbraw/zinc/37/31/49/971373149.db2.gz RESRWDINACGSSE-LLVKDONJSA-N 0 1 211.309 2.242 20 0 BEADMN CC(C)Cc1nnc([C@](C)(N)CC(C)C)o1 ZINC001217734145 971374810 /nfs/dbraw/zinc/37/48/10/971374810.db2.gz UBBGFGIJJMSDHS-GFCCVEGCSA-N 0 1 225.336 2.488 20 0 BEADMN CN[C@H](c1nnc(C2CC2)o1)C(C)(C)C ZINC001217737406 971378382 /nfs/dbraw/zinc/37/83/82/971378382.db2.gz XTKPAJYHVPUIML-MRVPVSSYSA-N 0 1 209.293 2.254 20 0 BEADMN COCc1nn(C2CCCCC2)c2c1CNC2 ZINC001257458316 971379058 /nfs/dbraw/zinc/37/90/58/971379058.db2.gz ULAVYZIDWFNJIK-UHFFFAOYSA-N 0 1 235.331 2.138 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1CCCC[C@@H]1F)N(C)C ZINC000811055010 971385867 /nfs/dbraw/zinc/38/58/67/971385867.db2.gz YKISCCLMJMBCKG-SRVKXCTJSA-N 0 1 245.338 2.397 20 0 BEADMN CCC[C@@H](C)CC[C@@H](C)N1CCN(C)C(=O)C1 ZINC001257476242 971398968 /nfs/dbraw/zinc/39/89/68/971398968.db2.gz KABZZDMJRREUMN-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CC(=O)N[C@H](C)C1 ZINC001257478757 971404337 /nfs/dbraw/zinc/40/43/37/971404337.db2.gz TULVTZBBCULWCJ-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](C)CC[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001257485096 971407253 /nfs/dbraw/zinc/40/72/53/971407253.db2.gz HNWSYPCHQYLLEK-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](C)CC[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001257485097 971410197 /nfs/dbraw/zinc/41/01/97/971410197.db2.gz HNWSYPCHQYLLEK-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@H](C)N1CC[C@H](S(C)(=O)=O)C1 ZINC001257516939 971442363 /nfs/dbraw/zinc/44/23/63/971442363.db2.gz ORISQGFUFDYKQP-RYUDHWBXSA-N 0 1 247.404 2.074 20 0 BEADMN CCCCOC1CN([C@H]2CCCSC2)C1 ZINC001257677860 971483025 /nfs/dbraw/zinc/48/30/25/971483025.db2.gz KXJIKNDOSHGFNM-NSHDSACASA-N 0 1 229.389 2.383 20 0 BEADMN CN(Cc1cncs1)[C@@H]1CCCSC1 ZINC001257680790 971484795 /nfs/dbraw/zinc/48/47/95/971484795.db2.gz DNEIGQCDFUVWMP-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCCC(F)(F)F)c1 ZINC000063101336 948972906 /nfs/dbraw/zinc/97/29/06/948972906.db2.gz RYJITYSUMLSMSO-UHFFFAOYSA-N 0 1 234.177 2.144 20 0 BEADMN Cc1ccc(CC[N@@H+](C)CCC(=O)[O-])cc1C ZINC000082293177 949021886 /nfs/dbraw/zinc/02/18/86/949021886.db2.gz WNEWJVBJHOTPSA-UHFFFAOYSA-N 0 1 235.327 2.252 20 0 BEADMN COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)[O-] ZINC000083662937 949034472 /nfs/dbraw/zinc/03/44/72/949034472.db2.gz AOSQCFZDEPNUDZ-CYBMUJFWSA-N 0 1 249.310 2.089 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C(Cl)=C/Cl ZINC000086000689 949053965 /nfs/dbraw/zinc/05/39/65/949053965.db2.gz ZPVOUTSEFYDNTC-FXXDRWHHSA-N 0 1 226.103 2.100 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378709838 971573621 /nfs/dbraw/zinc/57/36/21/971573621.db2.gz KKERHVUAUOHOPT-UHFFFAOYSA-N 0 1 242.344 2.462 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000378752538 971578415 /nfs/dbraw/zinc/57/84/15/971578415.db2.gz QRNSMIULRLWQOL-MRVPVSSYSA-N 0 1 240.328 2.216 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc(F)cc(Cl)c1 ZINC000168343849 949469590 /nfs/dbraw/zinc/46/95/90/949469590.db2.gz WOLDMWJAWOOCPU-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CCCC[C@H]([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC000233026663 949794685 /nfs/dbraw/zinc/79/46/85/949794685.db2.gz YHVGGLBQDOPEAP-JTQLQIEISA-N 0 1 242.344 2.185 20 0 BEADMN CCCC(CCC)[S@@](=O)Cc1nc[nH]n1 ZINC001330608098 974353116 /nfs/dbraw/zinc/35/31/16/974353116.db2.gz AVXTZSKQHHAVDD-HNNXBMFYSA-N 0 1 229.349 2.022 20 0 BEADMN O[C@@H](CNCc1nccs1)C1CCCCC1 ZINC000309611252 971703365 /nfs/dbraw/zinc/70/33/65/971703365.db2.gz ZLNDLOTYANBICU-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000380871058 971722626 /nfs/dbraw/zinc/72/26/26/971722626.db2.gz MGYMNVLOPCRLMT-FIQHERPVSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCCCF)C1CC1 ZINC000383084785 951236734 /nfs/dbraw/zinc/23/67/34/951236734.db2.gz UKLOZRLBKVRRND-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397487830 951564383 /nfs/dbraw/zinc/56/43/83/951564383.db2.gz JPFHXKHJWFMATO-CABZTGNLSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+]([C@H]2C=CCCC2)C1 ZINC000398856201 951616472 /nfs/dbraw/zinc/61/64/72/951616472.db2.gz OSBMBESYTLTHRU-UTUOFQBUSA-N 0 1 223.316 2.138 20 0 BEADMN Cc1cnc(NCc2cncnc2)c(C)c1 ZINC000309688977 971763714 /nfs/dbraw/zinc/76/37/14/971763714.db2.gz ILUVTROSEUAHRR-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H](C)CC(C)C)n1 ZINC001229438849 1169660449 /nfs/dbraw/zinc/66/04/49/1169660449.db2.gz XUKINCKHUZREPT-MRVPVSSYSA-N 0 1 234.303 2.475 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC001229438818 1169660227 /nfs/dbraw/zinc/66/02/27/1169660227.db2.gz WUSATRRKCNPXAJ-AEJSXWLSSA-N 0 1 242.282 2.005 20 0 BEADMN CCCC=Nc1nc(OC)ccc1C(=O)OC ZINC001170775626 971802292 /nfs/dbraw/zinc/80/22/92/971802292.db2.gz YEIPHTFSHJFGIQ-VMPITWQZSA-N 0 1 236.271 2.212 20 0 BEADMN Cc1nc2ccc(OC[C@H]3C[C@H](O)C3)cc2[nH]1 ZINC001218427420 971806053 /nfs/dbraw/zinc/80/60/53/971806053.db2.gz ZYXNCRRRTLVYIL-MGCOHNPYSA-N 0 1 232.283 2.021 20 0 BEADMN CN(C)Cc1cc(F)ccc1O[C@@H]1CCOC1 ZINC001229853972 1169668586 /nfs/dbraw/zinc/66/85/86/1169668586.db2.gz JXPJTHCEXDWWDG-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN CN(C)Cc1cc(F)ccc1OC[C@@H]1CCO1 ZINC001229854097 1169669024 /nfs/dbraw/zinc/66/90/24/1169669024.db2.gz KIEBRJQGJXDPOG-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)NCc1ccon1 ZINC001172322502 974532420 /nfs/dbraw/zinc/53/24/20/974532420.db2.gz VBFKJNUJNUWNNB-MNOVXSKESA-N 0 1 226.320 2.358 20 0 BEADMN CC[C@H](C)OCC[C@H](C)NCc1ccon1 ZINC001172322503 974533729 /nfs/dbraw/zinc/53/37/29/974533729.db2.gz VBFKJNUJNUWNNB-QWRGUYRKSA-N 0 1 226.320 2.358 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000383828739 971896769 /nfs/dbraw/zinc/89/67/69/971896769.db2.gz IVLIPNLXSLOITJ-ALTINICFSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1COCC[C@H]1Nc1cccn2cncc12 ZINC001170823773 971921080 /nfs/dbraw/zinc/92/10/80/971921080.db2.gz HDGITQRWJAKXKD-WDEREUQCSA-N 0 1 231.299 2.171 20 0 BEADMN CC[C@H](C)[C@@H](C)N1CCn2cncc2C1 ZINC001170826150 971928114 /nfs/dbraw/zinc/92/81/14/971928114.db2.gz FZYGZJINYNKQPW-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN C=C(N)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001218926867 971964870 /nfs/dbraw/zinc/96/48/70/971964870.db2.gz ZANXMIZDXPKNDW-UHFFFAOYSA-N 0 1 247.081 2.110 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001172338578 974605217 /nfs/dbraw/zinc/60/52/17/974605217.db2.gz BXSPNLIVCXRVPC-NDBYEHHHSA-N 0 1 227.348 2.053 20 0 BEADMN CCOC1CN([C@@H](C)CCO[C@@H](C)CC)C1 ZINC001172341465 974606651 /nfs/dbraw/zinc/60/66/51/974606651.db2.gz UBLMRNCHZZKLOC-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[N@H+](C/C=C(/C)C(=O)[O-])CCC1CC1 ZINC000385231826 971989026 /nfs/dbraw/zinc/98/90/26/971989026.db2.gz RBEQOCNOECHEIH-POHAHGRESA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@](N)(CO)Nc1cccc2cncc(C)c21 ZINC001170866084 971996735 /nfs/dbraw/zinc/99/67/35/971996735.db2.gz UOEFIFSPIYFPGL-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N(C)[C@@H](C)C(=O)OC ZINC001172342890 974610700 /nfs/dbraw/zinc/61/07/00/974610700.db2.gz OOVVFSBNNQCHGT-WOPDTQHZSA-N 0 1 245.363 2.073 20 0 BEADMN CCC=CNc1cccc(N2CCN(C)CC2)n1 ZINC001159667748 972009305 /nfs/dbraw/zinc/00/93/05/972009305.db2.gz GDRIIMTWEWXCPL-XBXARRHUSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1cc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)nc(C)[nH+]1 ZINC000386274212 972040953 /nfs/dbraw/zinc/04/09/53/972040953.db2.gz XXGUYQJOWAYOAE-MNOVXSKESA-N 0 1 249.314 2.149 20 0 BEADMN O=C1CC(c2ccc3c(c2)OCO3)=NN1C1CC1 ZINC001245931090 972102828 /nfs/dbraw/zinc/10/28/28/972102828.db2.gz YAGDPFSDUAJQJW-UHFFFAOYSA-N 0 1 244.250 2.319 20 0 BEADMN COCCc1cc(=O)n(-c2ccccc2C)[nH]1 ZINC001245940608 972105723 /nfs/dbraw/zinc/10/57/23/972105723.db2.gz VBJTXZKFFJJYNQ-UHFFFAOYSA-N 0 1 232.283 2.075 20 0 BEADMN Fc1cccc2c1C[C@@H](NCc1ccon1)CC2 ZINC001170949530 972137226 /nfs/dbraw/zinc/13/72/26/972137226.db2.gz OTNFAEBFZJKUFB-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN CCc1nc(OC)ccc1C1=CCCN(C)C1 ZINC001241572057 1169731182 /nfs/dbraw/zinc/73/11/82/1169731182.db2.gz OKVVZFHRWGWOJI-UHFFFAOYSA-N 0 1 232.327 2.372 20 0 BEADMN CN1CCC=C(c2cccnc2OC(F)F)C1 ZINC001241572054 1169732137 /nfs/dbraw/zinc/73/21/37/1169732137.db2.gz OFXQXIJPXNHPCO-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CC1(CN2Cc3ccncc3C2)CCOCC1 ZINC001207969918 956898333 /nfs/dbraw/zinc/89/83/33/956898333.db2.gz UVOUFKHRIYMFRV-UHFFFAOYSA-N 0 1 232.327 2.214 20 0 BEADMN COC(=O)[C@@H]1CCN1C[C@@H]1CCC(C)=C[C@H]1C ZINC001208164262 957051929 /nfs/dbraw/zinc/05/19/29/957051929.db2.gz ZMUYHJMIDJZPOE-AGIUHOORSA-N 0 1 237.343 2.226 20 0 BEADMN CC1=C[C@@H](C)[C@H](CN2CCn3nncc3C2)CC1 ZINC001208182869 957067103 /nfs/dbraw/zinc/06/71/03/957067103.db2.gz VTTORSOOBNCMGG-OLZOCXBDSA-N 0 1 246.358 2.086 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1ccc(C(=O)[O-])o1 ZINC000020030367 957127011 /nfs/dbraw/zinc/12/70/11/957127011.db2.gz JWKARXCKEJENAF-UHFFFAOYSA-N 0 1 234.255 2.346 20 0 BEADMN C[C@@H](CN1C[C@@H]2C[C@H]1CO2)OCc1ccccc1 ZINC001208700885 957129969 /nfs/dbraw/zinc/12/99/69/957129969.db2.gz OFALEAPTAMCJGW-QEJZJMRPSA-N 0 1 247.338 2.065 20 0 BEADMN c1cc(CNCc2cccc3c2OCC3)c[nH]1 ZINC000692967371 957164508 /nfs/dbraw/zinc/16/45/08/957164508.db2.gz UNFUWYIFVFUPIA-UHFFFAOYSA-N 0 1 228.295 2.239 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035055799 957196437 /nfs/dbraw/zinc/19/64/37/957196437.db2.gz SHKOKZAEDCGNCV-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](C)CN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000037173942 957264357 /nfs/dbraw/zinc/26/43/57/957264357.db2.gz YPRFCQGVPQFIRQ-SECBINFHSA-N 0 1 222.288 2.262 20 0 BEADMN Cc1nnc(SCC(=O)C2CCCCC2)[nH]1 ZINC000031794252 972255481 /nfs/dbraw/zinc/25/54/81/972255481.db2.gz JLDLOEANSBLSSA-UHFFFAOYSA-N 0 1 239.344 2.355 20 0 BEADMN Cc1n[nH]c(SCC(=O)C2CCCCC2)n1 ZINC000031794252 972255484 /nfs/dbraw/zinc/25/54/84/972255484.db2.gz JLDLOEANSBLSSA-UHFFFAOYSA-N 0 1 239.344 2.355 20 0 BEADMN Cc1cccc2nc(-c3ccncn3)[nH]c21 ZINC000397005710 957416022 /nfs/dbraw/zinc/41/60/22/957416022.db2.gz MARBFPRLIDNMST-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCCCN(CC(=O)OCC)C[C@@H]1C[C@H]1C ZINC001209432384 957461896 /nfs/dbraw/zinc/46/18/96/957461896.db2.gz QGUWXKKDKZGPRM-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H]1CCN(Cc2cncnc2)CCC1(F)F ZINC001137664023 972270179 /nfs/dbraw/zinc/27/01/79/972270179.db2.gz UGDWUNGIDYEBKS-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@@H](F)CC2)ccn1 ZINC001209637433 957518334 /nfs/dbraw/zinc/51/83/34/957518334.db2.gz GXUBYDGKFIJINR-GFCCVEGCSA-N 0 1 238.306 2.414 20 0 BEADMN COc1ccc(F)c(F)c1NC1=CCOC1 ZINC001203391231 957548768 /nfs/dbraw/zinc/54/87/68/957548768.db2.gz RNMIQONYWFOIMT-UHFFFAOYSA-N 0 1 227.210 2.299 20 0 BEADMN CCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000141571082 957553770 /nfs/dbraw/zinc/55/37/70/957553770.db2.gz WAOOWBBDPCUHSY-UHFFFAOYSA-N 0 1 236.315 2.015 20 0 BEADMN Cc1nn(C)c(C)c1Nc1cnc(N)cc1C ZINC001209967685 957586823 /nfs/dbraw/zinc/58/68/23/957586823.db2.gz MWDNMJYHKORODR-UHFFFAOYSA-N 0 1 231.303 2.066 20 0 BEADMN Cc1coc(Nc2cnc(N)cc2C)n1 ZINC001209962122 957587376 /nfs/dbraw/zinc/58/73/76/957587376.db2.gz RDCSZABKVYHEPX-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN FC(F)(F)[C@H]1CCCCN1Cc1cnc[nH]1 ZINC001136870218 972277574 /nfs/dbraw/zinc/27/75/74/972277574.db2.gz SPZRFUIKVOGMOV-SECBINFHSA-N 0 1 233.237 2.327 20 0 BEADMN CC[N@@H+](Cc1cnc(C)s1)C(C)(C)C(=O)[O-] ZINC000062337052 957602592 /nfs/dbraw/zinc/60/25/92/957602592.db2.gz JXTYTPBQBHCTAM-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN Cc1ncn(C2=CCC(F)(F)CC2)c1N ZINC001210031313 957611199 /nfs/dbraw/zinc/61/11/99/957611199.db2.gz OGHYMXFYTSEQLS-UHFFFAOYSA-N 0 1 213.231 2.434 20 0 BEADMN COc1nc(Nc2cccc(C)c2F)cc(=O)[nH]1 ZINC001210035683 957618528 /nfs/dbraw/zinc/61/85/28/957618528.db2.gz UWPYEPRKHAPSRX-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001136866385 972283211 /nfs/dbraw/zinc/28/32/11/972283211.db2.gz UIYJSKUEVFOETK-NSHDSACASA-N 0 1 211.284 2.124 20 0 BEADMN CC(C)n1cc(Nc2ccnc(CO)c2)cn1 ZINC001210319942 957722298 /nfs/dbraw/zinc/72/22/98/957722298.db2.gz RSNUNLRLFPVGNK-UHFFFAOYSA-N 0 1 232.287 2.095 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccco1 ZINC000071739070 957733116 /nfs/dbraw/zinc/73/31/16/957733116.db2.gz VHFPBNKUFXIDSP-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN Cc1cc2nccn2cc1NCc1cccnn1 ZINC001167327923 957768382 /nfs/dbraw/zinc/76/83/82/957768382.db2.gz SJAKRNKOQGTJRS-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCc1cccnn1 ZINC001167327607 957768405 /nfs/dbraw/zinc/76/84/05/957768405.db2.gz KIPGKWSRJLMONK-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@@H](O)c1cccc(Nc2cncn2C)c1 ZINC001210506492 957770790 /nfs/dbraw/zinc/77/07/90/957770790.db2.gz PNMLEUNMOJRXCD-SECBINFHSA-N 0 1 217.272 2.217 20 0 BEADMN COCCN(Cc1cncc(F)c1)C(C)C ZINC001207024120 957774329 /nfs/dbraw/zinc/77/43/29/957774329.db2.gz AJMPHLRVOGYLSQ-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCC(F)(F)F ZINC000080992279 957774698 /nfs/dbraw/zinc/77/46/98/957774698.db2.gz LRYOCUMFHVNDMN-QMMMGPOBSA-N 0 1 239.237 2.268 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000080992807 957776503 /nfs/dbraw/zinc/77/65/03/957776503.db2.gz OCVRWAGDCHITBM-DNQSNQRASA-N 0 1 217.696 2.068 20 0 BEADMN COCCN(Cc1cn2ccccc2n1)C(C)C ZINC001136879363 972293266 /nfs/dbraw/zinc/29/32/66/972293266.db2.gz BNGADZJWOZUZPO-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN C[C@H](C1CC1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000083415726 957824529 /nfs/dbraw/zinc/82/45/29/957824529.db2.gz OPFYWZFTJUHFJH-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](O)c1ccc(Nc2ccnc(CO)c2)cc1 ZINC001210642149 957836785 /nfs/dbraw/zinc/83/67/85/957836785.db2.gz LWECZISNQBDJPB-JTQLQIEISA-N 0 1 244.294 2.371 20 0 BEADMN Nc1nc2ccccc2n1-c1cc(O)ccc1F ZINC001210798342 957899016 /nfs/dbraw/zinc/89/90/16/957899016.db2.gz DJCIQJBJVDUOSN-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN COC(=O)c1ccc(Nc2nccs2)o1 ZINC001210990305 957973626 /nfs/dbraw/zinc/97/36/26/957973626.db2.gz BEIJPMICDXATRZ-UHFFFAOYSA-N 0 1 224.241 2.266 20 0 BEADMN CSc1ccccc1-n1cncc1N ZINC001211060584 958011044 /nfs/dbraw/zinc/01/10/44/958011044.db2.gz DFTRRVILPJPUCL-UHFFFAOYSA-N 0 1 205.286 2.176 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)oc1C ZINC001204539393 958013806 /nfs/dbraw/zinc/01/38/06/958013806.db2.gz PCDNLJUUPCUXCV-CYBMUJFWSA-N 0 1 221.300 2.261 20 0 BEADMN Cn1cncc1Nc1nc(C(C)(C)C)ns1 ZINC001211244736 958100228 /nfs/dbraw/zinc/10/02/28/958100228.db2.gz CPENVDZGSOBPNA-UHFFFAOYSA-N 0 1 237.332 2.313 20 0 BEADMN Cn1cncc1Nc1cc(C(C)(C)C)no1 ZINC001211245050 958103775 /nfs/dbraw/zinc/10/37/75/958103775.db2.gz IOZITUDMIDRJJY-UHFFFAOYSA-N 0 1 220.276 2.449 20 0 BEADMN Cc1nc2sccc2c(Nc2cncn2C)n1 ZINC001211245584 958104322 /nfs/dbraw/zinc/10/43/22/958104322.db2.gz PVZDKHJXZDUGQC-UHFFFAOYSA-N 0 1 245.311 2.477 20 0 BEADMN Cn1cncc1Nc1nnc(C(C)(C)C)s1 ZINC001211245123 958104692 /nfs/dbraw/zinc/10/46/92/958104692.db2.gz FKXYRLVFSLHIOV-UHFFFAOYSA-N 0 1 237.332 2.313 20 0 BEADMN Cn1cncc1Nc1c[nH]c(=O)c2ccccc12 ZINC001211246896 958110324 /nfs/dbraw/zinc/11/03/24/958110324.db2.gz XKZONBUUKHZGTB-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN Cc1cccc(O)c1Nc1cncn1C ZINC001211250065 958114368 /nfs/dbraw/zinc/11/43/68/958114368.db2.gz GXGIPFHABRMMGG-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN COC(=O)c1cc(C)ccc1Nc1cncn1C ZINC001211250418 958115164 /nfs/dbraw/zinc/11/51/64/958115164.db2.gz KBWIHPJGHNOETC-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN Cn1cncc1Nc1ccnc(C(C)(C)C)n1 ZINC001211248220 958115374 /nfs/dbraw/zinc/11/53/74/958115374.db2.gz KHHZUZOPTMPHHF-UHFFFAOYSA-N 0 1 231.303 2.251 20 0 BEADMN COCCOc1cccc(Nc2cncn2C)c1 ZINC001211250309 958115939 /nfs/dbraw/zinc/11/59/39/958115939.db2.gz HRVBJRADAGRPOS-UHFFFAOYSA-N 0 1 247.298 2.189 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)NC(=O)CC2 ZINC001211250241 958116188 /nfs/dbraw/zinc/11/61/88/958116188.db2.gz JYLZCPIMKHVODQ-UHFFFAOYSA-N 0 1 242.282 2.048 20 0 BEADMN Cn1cncc1Nc1cccc2c1CCC(=O)N2 ZINC001211252145 958118253 /nfs/dbraw/zinc/11/82/53/958118253.db2.gz BLMRGDUBGWHQIU-UHFFFAOYSA-N 0 1 242.282 2.048 20 0 BEADMN COC(=O)c1c(C)cccc1Nc1cncn1C ZINC001211251639 958118880 /nfs/dbraw/zinc/11/88/80/958118880.db2.gz LONRMGOKLGAECQ-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN COc1cc(Nc2cncn2C)ccc1C(C)=O ZINC001211251556 958121388 /nfs/dbraw/zinc/12/13/88/958121388.db2.gz JMUHKWAIXFHFJP-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN COc1cnccc1Nc1ccnn1C1CCC1 ZINC001211259736 958125772 /nfs/dbraw/zinc/12/57/72/958125772.db2.gz ORKWNXGASTZOFM-UHFFFAOYSA-N 0 1 244.298 2.177 20 0 BEADMN CC[N@@H+](Cc1cccc(C)n1)C(C)(C)C(=O)[O-] ZINC000092430979 958164291 /nfs/dbraw/zinc/16/42/91/958164291.db2.gz LNHNRJDUSNEJNX-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ncncc1-c1cc(F)c(O)cc1F ZINC001211339352 958164132 /nfs/dbraw/zinc/16/41/32/958164132.db2.gz MXTKRXBTQGTNIB-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN FC(F)(F)c1cnc(CN2CCC3(CC3)C2)[nH]1 ZINC001137012129 972326794 /nfs/dbraw/zinc/32/67/94/972326794.db2.gz RQVVUDVBCBLXDX-UHFFFAOYSA-N 0 1 245.248 2.414 20 0 BEADMN FC1(F)CCCC[C@H]1NC1CCOCC1 ZINC000398423502 958251433 /nfs/dbraw/zinc/25/14/33/958251433.db2.gz QYZGWXHYEYYBCC-SNVBAGLBSA-N 0 1 219.275 2.333 20 0 BEADMN C[C@@H]1CCN(Cc2ccncn2)CCC1(F)F ZINC001140346086 958251578 /nfs/dbraw/zinc/25/15/78/958251578.db2.gz NNCIZMWMMOOHMN-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN CC[C@H](C(=O)Nc1cc(C(C)C)on1)N(C)C ZINC001137047386 972342351 /nfs/dbraw/zinc/34/23/51/972342351.db2.gz RBQVTBVFHITYPJ-SECBINFHSA-N 0 1 239.319 2.077 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCCC(F)(F)F ZINC000123723624 958507779 /nfs/dbraw/zinc/50/77/79/958507779.db2.gz QZMIBACZTWGVGM-QMMMGPOBSA-N 0 1 239.237 2.268 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC(F)(F)F ZINC000123733455 958508094 /nfs/dbraw/zinc/50/80/94/958508094.db2.gz NYUJBBIIQSXEPF-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H]1C[C@@H](C)N(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000123851385 958509181 /nfs/dbraw/zinc/50/91/81/958509181.db2.gz NQGDIRKLUHTNED-RKDXNWHRSA-N 0 1 220.272 2.015 20 0 BEADMN CCc1nc(NC(=O)/C(C)=C\C(C)(C)C)n[nH]1 ZINC000588504658 958856186 /nfs/dbraw/zinc/85/61/86/958856186.db2.gz MRCRUMGCIYYVHT-FPLPWBNLSA-N 0 1 236.319 2.298 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)=CC(C)(C)C)n1 ZINC000588504658 958856187 /nfs/dbraw/zinc/85/61/87/958856187.db2.gz MRCRUMGCIYYVHT-FPLPWBNLSA-N 0 1 236.319 2.298 20 0 BEADMN Cc1ccnc(CN[C@H]2CC[C@@H](C)C2)n1 ZINC000707943773 958859782 /nfs/dbraw/zinc/85/97/82/958859782.db2.gz AAUQBQYXDSPKRO-KOLCDFICSA-N 0 1 205.305 2.063 20 0 BEADMN C[C@@H]1C[C@@H](CO)CN(CC=C(Cl)Cl)C1 ZINC000403788385 958862011 /nfs/dbraw/zinc/86/20/11/958862011.db2.gz ZVWOACPBTXNWMB-RKDXNWHRSA-N 0 1 238.158 2.256 20 0 BEADMN CSCC[C@@H](C)NCc1ncc(C)cn1 ZINC000707945257 958863096 /nfs/dbraw/zinc/86/30/96/958863096.db2.gz VRNLQALELOOFIS-SNVBAGLBSA-N 0 1 225.361 2.016 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)c2ccccc2)[C@H](C)CO1 ZINC000403813317 958867741 /nfs/dbraw/zinc/86/77/41/958867741.db2.gz KBVDPCBZKCZRNL-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CCCOC1CCN(Cc2[nH]cnc2C)CC1 ZINC001204588360 958903059 /nfs/dbraw/zinc/90/30/59/958903059.db2.gz IKVNEXHRHQLATE-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC001350051064 958935374 /nfs/dbraw/zinc/93/53/74/958935374.db2.gz BQQHYDXHKGRTAU-RKDXNWHRSA-N 0 1 249.314 2.162 20 0 BEADMN CC/C=C\CCN1CCC[C@]12CCOC2=O ZINC000588527795 958959038 /nfs/dbraw/zinc/95/90/38/958959038.db2.gz KAXAMVLNKZYINH-DHCBQETCSA-N 0 1 223.316 2.124 20 0 BEADMN c1c2ccccn2nc1N=C1CCCOC1 ZINC001216507232 959011621 /nfs/dbraw/zinc/01/16/21/959011621.db2.gz GTQHRXJKWMWGKH-UHFFFAOYSA-N 0 1 215.256 2.050 20 0 BEADMN CCCC[C@@H](CC)CC(=O)OCc1nnc[nH]1 ZINC001327116900 972417861 /nfs/dbraw/zinc/41/78/61/972417861.db2.gz UPYCKISNVTTWET-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000166760064 959320322 /nfs/dbraw/zinc/32/03/22/959320322.db2.gz GGWZDPUGNNELOQ-OLVMICMNSA-N 0 1 225.332 2.384 20 0 BEADMN CC=C(C)C(=O)NCc1[nH]nc2ccccc21 ZINC001143945692 972422664 /nfs/dbraw/zinc/42/26/64/972422664.db2.gz ZGKXAGPYMQEIKS-YCRREMRBSA-N 0 1 229.283 2.145 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000724775615 959446528 /nfs/dbraw/zinc/44/65/28/959446528.db2.gz AJRVPDDGMNSOED-SECBINFHSA-N 0 1 247.264 2.492 20 0 BEADMN OC1CCC(OCc2cccc3nc[nH]c32)CC1 ZINC001217900934 959734425 /nfs/dbraw/zinc/73/44/25/959734425.db2.gz RCUPXHDNKAXEBH-UHFFFAOYSA-N 0 1 246.310 2.383 20 0 BEADMN CCCC[N@@H+](C/C(C)=C\C(=O)[O-])C1CC1 ZINC000215630310 959757629 /nfs/dbraw/zinc/75/76/29/959757629.db2.gz WJDMPMKZPOFLNB-NTMALXAHSA-N 0 1 211.305 2.282 20 0 BEADMN CCCCNCc1nnc(C2CC2)s1 ZINC000892479691 959758370 /nfs/dbraw/zinc/75/83/70/959758370.db2.gz KWOBSERYSPWISC-UHFFFAOYSA-N 0 1 211.334 2.305 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C/C(C)=C\C(=O)[O-] ZINC000215649305 959759142 /nfs/dbraw/zinc/75/91/42/959759142.db2.gz OLEHMRHJVSAIOR-HIJJYWJESA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])c1occc1Cn1c[nH+]c2c1CCCC2 ZINC000216795678 959766171 /nfs/dbraw/zinc/76/61/71/959766171.db2.gz MOITUIMOZOZVFW-UHFFFAOYSA-N 0 1 246.266 2.101 20 0 BEADMN O=C([O-])c1ccoc1Cn1c[nH+]c2c1CCCC2 ZINC000216811582 959766685 /nfs/dbraw/zinc/76/66/85/959766685.db2.gz ZFULTFOXYVMAIS-UHFFFAOYSA-N 0 1 246.266 2.101 20 0 BEADMN CC[C@@H](CSC)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000217367450 959774971 /nfs/dbraw/zinc/77/49/71/959774971.db2.gz NDUIDIVIHZRUNU-VIFPVBQESA-N 0 1 240.328 2.333 20 0 BEADMN C[N@@H+](Cc1ccccc1)C(C)(C)CC(=O)[O-] ZINC000221545074 959809363 /nfs/dbraw/zinc/80/93/63/959809363.db2.gz OYZIGMKPQQHTMT-UHFFFAOYSA-N 0 1 221.300 2.372 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721606497 959824467 /nfs/dbraw/zinc/82/44/67/959824467.db2.gz WRLYZMLBGOUOEB-CQSZACIVSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H](C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000227817326 959969119 /nfs/dbraw/zinc/96/91/19/959969119.db2.gz YIYYVXYMMOAFGU-OUCADQQQSA-N 0 1 247.338 2.443 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CCC(F)F)n[nH]1 ZINC001327161946 972469965 /nfs/dbraw/zinc/46/99/65/972469965.db2.gz OGLBLVPJYGZWEV-ZCFIWIBFSA-N 0 1 247.245 2.017 20 0 BEADMN CC(C)N1CCN(c2nc(Cl)cs2)CC1 ZINC000165119331 959999606 /nfs/dbraw/zinc/99/96/06/959999606.db2.gz VMHHFUFXIFYHOS-UHFFFAOYSA-N 0 1 245.779 2.327 20 0 BEADMN c1ncc(CN2CC[C@H](Oc3ccccc3)C2)o1 ZINC001140932082 960098918 /nfs/dbraw/zinc/09/89/18/960098918.db2.gz ZRVGNRGOANKGCG-ZDUSSCGKSA-N 0 1 244.294 2.328 20 0 BEADMN CCCN(CCNC(=O)C(C)C)C[C@@H](F)CC ZINC001481130209 960121448 /nfs/dbraw/zinc/12/14/48/960121448.db2.gz CRIOEHYEBKBFRT-LBPRGKRZSA-N 0 1 246.370 2.219 20 0 BEADMN CC[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CCC1 ZINC000230322941 960142357 /nfs/dbraw/zinc/14/23/57/960142357.db2.gz LDTBHZPUZTUSCC-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN CC(C)CN1CC(NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267649885 960172555 /nfs/dbraw/zinc/17/25/55/960172555.db2.gz CHVCLJSFHFECKZ-LLVKDONJSA-N 0 1 240.391 2.125 20 0 BEADMN CC(C)(O)C=CNc1ncc2ccccc2n1 ZINC001203208983 960174637 /nfs/dbraw/zinc/17/46/37/960174637.db2.gz BOFWGMJRIIQKNI-BQYQJAHWSA-N 0 1 229.283 2.326 20 0 BEADMN Cc1nc2cnc(NC3CC4(CCC4)C3)nc2[nH]1 ZINC001161447353 960189109 /nfs/dbraw/zinc/18/91/09/960189109.db2.gz WRTMVXXVJBFZHQ-UHFFFAOYSA-N 0 1 243.314 2.358 20 0 BEADMN c1c[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000709059195 960240967 /nfs/dbraw/zinc/24/09/67/960240967.db2.gz HNWOITQOAYVJBX-VXGBXAGGSA-N 0 1 219.332 2.422 20 0 BEADMN c1c[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000709059191 960241030 /nfs/dbraw/zinc/24/10/30/960241030.db2.gz HNWOITQOAYVJBX-NWDGAFQWSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000232424491 960265924 /nfs/dbraw/zinc/26/59/24/960265924.db2.gz DVEUJGDLHOSWDW-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN COc1ncccc1CN[C@H](C)C1(Cl)CC1 ZINC000695653445 960328561 /nfs/dbraw/zinc/32/85/61/960328561.db2.gz BQFXABFQBSYSSV-SECBINFHSA-N 0 1 240.734 2.340 20 0 BEADMN CCc1[nH+]ccn1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234136729 960341424 /nfs/dbraw/zinc/34/14/24/960341424.db2.gz FCFFMURTSKBQJL-UHFFFAOYSA-N 0 1 248.257 2.331 20 0 BEADMN COC(CN[C@@H](C)c1cc(C)oc1C)OC ZINC000037473082 960354349 /nfs/dbraw/zinc/35/43/49/960354349.db2.gz KREJURJERMLOIS-VIFPVBQESA-N 0 1 227.304 2.166 20 0 BEADMN Cc1cc2cc[nH]c2c(NC(C)(C)CCO)n1 ZINC001167740395 960381766 /nfs/dbraw/zinc/38/17/66/960381766.db2.gz ABICCJOMUITFHD-UHFFFAOYSA-N 0 1 233.315 2.444 20 0 BEADMN c1nc2c(ncnc2N[C@H]2CCCC3(CC3)C2)[nH]1 ZINC000695709082 960395214 /nfs/dbraw/zinc/39/52/14/960395214.db2.gz HRBCAPIANAWJGS-VIFPVBQESA-N 0 1 243.314 2.488 20 0 BEADMN C[C@H]([NH2+]Cc1occc1C(=O)[O-])c1ccccn1 ZINC000235517967 960448410 /nfs/dbraw/zinc/44/84/10/960448410.db2.gz VEHWBVPHZKHHIZ-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN Oc1ccc2c(c1)CCN(Cc1cc[nH]c1)C2 ZINC001140706124 960513203 /nfs/dbraw/zinc/51/32/03/960513203.db2.gz DLEXNZXBWUPJBS-UHFFFAOYSA-N 0 1 228.295 2.279 20 0 BEADMN Fc1ccccc1CCCN1CC2(COC2)C1 ZINC001207489968 960526619 /nfs/dbraw/zinc/52/66/19/960526619.db2.gz JCBNJUWJFPPSTA-UHFFFAOYSA-N 0 1 235.302 2.091 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001140777939 960561504 /nfs/dbraw/zinc/56/15/04/960561504.db2.gz PQJIAOLAKXIHMU-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001140777940 960562169 /nfs/dbraw/zinc/56/21/69/960562169.db2.gz PQJIAOLAKXIHMU-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN CCN(Cc1ccc(F)cc1C)C1CN(C)C1 ZINC001140780517 960563259 /nfs/dbraw/zinc/56/32/59/960563259.db2.gz BSEGCSLTIRTAMW-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001140777941 960566322 /nfs/dbraw/zinc/56/63/22/960566322.db2.gz PQJIAOLAKXIHMU-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN CO[C@H](c1nc([C@H](N)C(C)C)no1)C1CCC1 ZINC000692753246 960598083 /nfs/dbraw/zinc/59/80/83/960598083.db2.gz UJMIYNVRWQDDRF-ZJUUUORDSA-N 0 1 239.319 2.213 20 0 BEADMN [O-]c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(F)c1F ZINC001140888387 960668089 /nfs/dbraw/zinc/66/80/89/960668089.db2.gz REZNGTNNFDCZFT-DTORHVGOSA-N 0 1 225.238 2.122 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1F ZINC001140888387 960668100 /nfs/dbraw/zinc/66/81/00/960668100.db2.gz REZNGTNNFDCZFT-DTORHVGOSA-N 0 1 225.238 2.122 20 0 BEADMN COc1ccccc1CN(C)Cc1cc(C)[nH]n1 ZINC001203075367 960668168 /nfs/dbraw/zinc/66/81/68/960668168.db2.gz GMLNUFHYVAULQG-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cc1cc(CN2Cc3cccc(F)c3C2)n[nH]1 ZINC001203077472 960684009 /nfs/dbraw/zinc/68/40/09/960684009.db2.gz ZNQMJBCQIRIVNH-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)[nH]n1 ZINC001203076917 960684373 /nfs/dbraw/zinc/68/43/73/960684373.db2.gz LYCYKPWLCOEIBF-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3cccnc3)C2)[nH]n1 ZINC001203076917 960684393 /nfs/dbraw/zinc/68/43/93/960684393.db2.gz LYCYKPWLCOEIBF-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cnco1 ZINC001140932869 960710539 /nfs/dbraw/zinc/71/05/39/960710539.db2.gz DMVVFYMNFJNYCH-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](F)CC2)o1 ZINC001140944212 960734817 /nfs/dbraw/zinc/73/48/17/960734817.db2.gz VHMNWGZITHQFOA-SECBINFHSA-N 0 1 241.262 2.302 20 0 BEADMN Cc1cc(CN2CCC(C(F)F)CC2)n[nH]1 ZINC001203082072 960774244 /nfs/dbraw/zinc/77/42/44/960774244.db2.gz KMHMAGUSQCHWKD-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN CCC/C=C/C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341884569 960833908 /nfs/dbraw/zinc/83/39/08/960833908.db2.gz ABFCGWIVHWOVGC-SNAWJCMRSA-N 0 1 245.282 2.357 20 0 BEADMN CCC/C=C/C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341884569 960833916 /nfs/dbraw/zinc/83/39/16/960833916.db2.gz ABFCGWIVHWOVGC-SNAWJCMRSA-N 0 1 245.282 2.357 20 0 BEADMN CCCCc1ncc(CN2CC(F)(F)C2)[nH]1 ZINC001141067087 960851930 /nfs/dbraw/zinc/85/19/30/960851930.db2.gz RQGKQZZCPJYYOL-UHFFFAOYSA-N 0 1 229.274 2.203 20 0 BEADMN CCCCc1ncc(CN2CCCC(=O)CC2)[nH]1 ZINC001141068363 960858473 /nfs/dbraw/zinc/85/84/73/960858473.db2.gz GOECUDPJAIYPGQ-UHFFFAOYSA-N 0 1 249.358 2.307 20 0 BEADMN O=C1CCC2(CC1)CCN(Cc1cn[nH]c1)CC2 ZINC001203098751 960890144 /nfs/dbraw/zinc/89/01/44/960890144.db2.gz CDLUCUSZEARWKC-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN c1ncc(CO[C@H]2CCOc3ccccc32)[nH]1 ZINC001223000523 960895097 /nfs/dbraw/zinc/89/50/97/960895097.db2.gz OYBCSUSILYJQNF-ZDUSSCGKSA-N 0 1 230.267 2.450 20 0 BEADMN COc1c(F)cccc1CN1CC[C@H](OC)C1 ZINC001143522439 960905607 /nfs/dbraw/zinc/90/56/07/960905607.db2.gz WFHQRAOZYKXLFP-NSHDSACASA-N 0 1 239.290 2.055 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)C[C@H]2C)c(F)c1 ZINC001141196666 960936967 /nfs/dbraw/zinc/93/69/67/960936967.db2.gz SRLQYHRYNWXXBS-DGCLKSJQSA-N 0 1 237.318 2.479 20 0 BEADMN OCC1(Nc2cc3nc[nH]c3cc2F)CCCC1 ZINC001167806303 961079509 /nfs/dbraw/zinc/07/95/09/961079509.db2.gz KTPZVFVZDIUYCZ-UHFFFAOYSA-N 0 1 249.289 2.419 20 0 BEADMN CCC[C@@H](C)C(=O)NC1CN(CC2CCC2)C1 ZINC001481550850 961189234 /nfs/dbraw/zinc/18/92/34/961189234.db2.gz VMIXYLHOHLPOHB-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(c1ccn[nH]1)N1Cc2ccc(Cl)cc2C1 ZINC001141991211 961208304 /nfs/dbraw/zinc/20/83/04/961208304.db2.gz NPFYPENCSIVHQY-UHFFFAOYSA-N 0 1 247.685 2.219 20 0 BEADMN CC[C@H](C)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251765932 961257392 /nfs/dbraw/zinc/25/73/92/961257392.db2.gz HYUSKAUFUKEKET-GUBZILKMSA-N 0 1 201.310 2.074 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000257700274 961345745 /nfs/dbraw/zinc/34/57/45/961345745.db2.gz XUKCVSGGYVQJOO-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CCN1Cc1[nH]cnc1C(C)(C)C ZINC001142213249 961360196 /nfs/dbraw/zinc/36/01/96/961360196.db2.gz RZJRRLNDZMHDBK-SECBINFHSA-N 0 1 207.321 2.301 20 0 BEADMN C[N@@H+](CCc1cccc(F)c1)C(C)(C)C(=O)[O-] ZINC000258911388 961369604 /nfs/dbraw/zinc/36/96/04/961369604.db2.gz YZNYFCVHCUPGGK-UHFFFAOYSA-N 0 1 239.290 2.163 20 0 BEADMN C[N@@H+](Cc1cccs1)C(C)(C)CC(=O)[O-] ZINC000259950989 961377636 /nfs/dbraw/zinc/37/76/36/961377636.db2.gz GTLCQIWSDOVAKA-UHFFFAOYSA-N 0 1 227.329 2.433 20 0 BEADMN CCCOCCNc1ccc2nc(C)[nH]c2n1 ZINC001167873245 961387951 /nfs/dbraw/zinc/38/79/51/961387951.db2.gz IGTMZZLORGYSSE-UHFFFAOYSA-N 0 1 234.303 2.105 20 0 BEADMN CCCOCCNc1cncc2nc(C)[nH]c21 ZINC001167875936 961425363 /nfs/dbraw/zinc/42/53/63/961425363.db2.gz URODSISWWVCNPQ-UHFFFAOYSA-N 0 1 234.303 2.105 20 0 BEADMN CCc1coc(CN[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167891643 961493730 /nfs/dbraw/zinc/49/37/30/961493730.db2.gz NESIGEUISHVFFT-JZYVYDRUSA-N 0 1 206.289 2.125 20 0 BEADMN CCC[C@H](C)C(=O)NC1CN(CCC(C)C)C1 ZINC001268266297 961513833 /nfs/dbraw/zinc/51/38/33/961513833.db2.gz RZEXNCGMVVVCHM-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)C=CC(=O)NCc1[nH]nc2ccccc21 ZINC001142664077 961567817 /nfs/dbraw/zinc/56/78/17/961567817.db2.gz AIYMOQULJGAMAX-BQYQJAHWSA-N 0 1 243.310 2.391 20 0 BEADMN Clc1ccnc(CN[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167910645 961815659 /nfs/dbraw/zinc/81/56/59/961815659.db2.gz VUQHMZNQVXQTPY-BRPSZJMVSA-N 0 1 223.707 2.018 20 0 BEADMN C[C@@H](N[C@H]1C[C@H]2C[C@H]2C1)c1ncc(F)cn1 ZINC001167910993 961816740 /nfs/dbraw/zinc/81/67/40/961816740.db2.gz YMCWDLYQLVQMAF-REIXXSIJSA-N 0 1 221.279 2.065 20 0 BEADMN CC(C)CN1CC(NC(=O)CCC2(C)CC2)C1 ZINC001268467862 961843868 /nfs/dbraw/zinc/84/38/68/961843868.db2.gz YJYUUJIWJJRYSU-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1COCCN1Cc1cccc2n[nH]cc21 ZINC001143096653 961876612 /nfs/dbraw/zinc/87/66/12/961876612.db2.gz FDIARRIRSQFZGA-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143216798 961952778 /nfs/dbraw/zinc/95/27/78/961952778.db2.gz KLUIPZBHZCBZOF-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN C[C@@H]1CCN1Cc1cc2cccnc2[nH]1 ZINC001143216798 961952800 /nfs/dbraw/zinc/95/28/00/961952800.db2.gz KLUIPZBHZCBZOF-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN Nc1nc2ccccc2n1-c1cc(N)ccc1F ZINC001211818342 961966663 /nfs/dbraw/zinc/96/66/63/961966663.db2.gz LBPRYNAIHRRAIT-UHFFFAOYSA-N 0 1 242.257 2.329 20 0 BEADMN COC(=O)c1cccnc1CN[C@H]1CC[C@H](C)C1 ZINC000302263733 961980649 /nfs/dbraw/zinc/98/06/49/961980649.db2.gz CBTFHSMTOSKAPZ-QWRGUYRKSA-N 0 1 248.326 2.146 20 0 BEADMN CC(C)c1nc(NC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001143273843 961990919 /nfs/dbraw/zinc/99/09/19/961990919.db2.gz OYNZVBVQQBZMCU-UWVGGRQHSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001143273843 961990930 /nfs/dbraw/zinc/99/09/30/961990930.db2.gz OYNZVBVQQBZMCU-UWVGGRQHSA-N 0 1 248.330 2.303 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151893132 962354094 /nfs/dbraw/zinc/35/40/94/962354094.db2.gz UGQATNOBHUEPBA-LLVKDONJSA-N 0 1 246.370 2.219 20 0 BEADMN CN(C(=O)c1ccn2cncc2c1)C(C)(C)C ZINC001151894307 962353931 /nfs/dbraw/zinc/35/39/31/962353931.db2.gz FFRHYLBKCQPZMU-UHFFFAOYSA-N 0 1 231.299 2.205 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)OCC(C)C ZINC000132448891 962427679 /nfs/dbraw/zinc/42/76/79/962427679.db2.gz BRDNPWXNIFXZRD-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H](C)CC(=O)NC[C@@H](C)N(CC)CCF ZINC001153001465 962517342 /nfs/dbraw/zinc/51/73/42/962517342.db2.gz SDEUGICNOZACHA-VXGBXAGGSA-N 0 1 246.370 2.219 20 0 BEADMN CCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001269196857 962519915 /nfs/dbraw/zinc/51/99/15/962519915.db2.gz ZBAOEBQYONCIMR-GFCCVEGCSA-N 0 1 249.358 2.009 20 0 BEADMN c1ccc([C@@H]2CN([C@H]3C[C@H]4C[C@H]4C3)CCO2)nc1 ZINC001167953959 962746600 /nfs/dbraw/zinc/74/66/00/962746600.db2.gz YGHHJERYCFVQSF-JLNYLFASSA-N 0 1 244.338 2.253 20 0 BEADMN CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)[C@@H]1C ZINC001154802039 962852397 /nfs/dbraw/zinc/85/23/97/962852397.db2.gz OCTGTJWUSVUGNG-MNOVXSKESA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cnc(N[C@H]2CC[C@](C)(O)CC2)c(N)c1 ZINC001154955357 962921678 /nfs/dbraw/zinc/92/16/78/962921678.db2.gz XNBCAZINDOPEOH-MJHDQNEOSA-N 0 1 235.331 2.078 20 0 BEADMN Cc1ncoc1CN[C@H]1CCC(F)(F)C1 ZINC000894351129 962940857 /nfs/dbraw/zinc/94/08/57/962940857.db2.gz XJZCTXRRJLZOHE-QMMMGPOBSA-N 0 1 216.231 2.260 20 0 BEADMN C[N@H+]1CC[C@H](Oc2cccc([S-])c2)C1 ZINC001226017187 962983791 /nfs/dbraw/zinc/98/37/91/962983791.db2.gz XKFSYAXNYFIZNO-JTQLQIEISA-N 0 1 209.314 2.058 20 0 BEADMN COC(=O)c1cc2[nH]cnc2c(NCC(C)C)c1 ZINC001161648373 963020491 /nfs/dbraw/zinc/02/04/91/963020491.db2.gz GBEYGLHSNUQBFA-UHFFFAOYSA-N 0 1 247.298 2.417 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccc(F)nc3)C[C@H]12 ZINC001137744036 963022275 /nfs/dbraw/zinc/02/22/75/963022275.db2.gz KZFYSJUTPBIOMA-RYUDHWBXSA-N 0 1 248.301 2.022 20 0 BEADMN CC[C@H](C)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001168003856 963243676 /nfs/dbraw/zinc/24/36/76/963243676.db2.gz QRQLWNUMDYUALH-LBPRGKRZSA-N 0 1 248.374 2.044 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000308655039 963298325 /nfs/dbraw/zinc/29/83/25/963298325.db2.gz MZNQLDZVJHYZMB-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN Clc1ccccc1CN1CC(C2COC2)C1 ZINC001203377140 963328749 /nfs/dbraw/zinc/32/87/49/963328749.db2.gz IBHMTVKTDGIZGZ-UHFFFAOYSA-N 0 1 237.730 2.418 20 0 BEADMN CCc1cc(N[C@H](CC2CC2)C(=O)[O-])nc(C)[nH+]1 ZINC000310747726 963430651 /nfs/dbraw/zinc/43/06/51/963430651.db2.gz JSBOYUYUTJEONM-LLVKDONJSA-N 0 1 249.314 2.013 20 0 BEADMN C[C@H]1CN(Cc2cscn2)CCC[C@@]1(C)O ZINC001137591344 963434711 /nfs/dbraw/zinc/43/47/11/963434711.db2.gz LWVIMFVOCVHRRK-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1[nH+]c(N2CC3CCC2CC3)ccc1C(=O)[O-] ZINC000310920896 963445990 /nfs/dbraw/zinc/44/59/90/963445990.db2.gz BPZBOOGOAFOKAN-UHFFFAOYSA-N 0 1 246.310 2.467 20 0 BEADMN CN(C)c1cccc(N2Cc3ncsc3C2)n1 ZINC001156822808 963470651 /nfs/dbraw/zinc/47/06/51/963470651.db2.gz RDYWBAPNPVFQBQ-UHFFFAOYSA-N 0 1 246.339 2.124 20 0 BEADMN Cc1cc(CNc2cc(C)c(C)cn2)nn1C ZINC001156953719 963498528 /nfs/dbraw/zinc/49/85/28/963498528.db2.gz GWCWKGLYKQLRLN-UHFFFAOYSA-N 0 1 230.315 2.352 20 0 BEADMN COc1ccnc(N(C)Cc2cncs2)c1 ZINC001157082563 963526342 /nfs/dbraw/zinc/52/63/42/963526342.db2.gz BTJKLQFBRUKJCS-UHFFFAOYSA-N 0 1 235.312 2.183 20 0 BEADMN F[C@H]1CCCC[C@H]1Oc1ncnc2nc[nH]c21 ZINC001227534963 963533338 /nfs/dbraw/zinc/53/33/38/963533338.db2.gz PUUKYVXSWOXJTL-JGVFFNPUSA-N 0 1 236.250 2.012 20 0 BEADMN CC(C)c1ncc(CNC(=O)C=C2CCC2)[nH]1 ZINC001157120340 963535272 /nfs/dbraw/zinc/53/52/72/963535272.db2.gz VFDNPMIAOHLDHB-UHFFFAOYSA-N 0 1 233.315 2.260 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686481 963552536 /nfs/dbraw/zinc/55/25/36/963552536.db2.gz QLFPEUFPJMBDCA-JGVFFNPUSA-N 0 1 238.287 2.026 20 0 BEADMN CCN(CCn1ccnc1)c1cc(C)c(C)cn1 ZINC001157466281 963623642 /nfs/dbraw/zinc/62/36/42/963623642.db2.gz JMUCHDSHTHPNRP-UHFFFAOYSA-N 0 1 244.342 2.421 20 0 BEADMN C[C@H]1C[C@@H](NC2(c3ccccc3)COC2)CCO1 ZINC001168080379 963625106 /nfs/dbraw/zinc/62/51/06/963625106.db2.gz UXXYMHZARVHUML-JSGCOSHPSA-N 0 1 247.338 2.069 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2cnc3nc[nH]c3c2)o1 ZINC001256636839 1169829473 /nfs/dbraw/zinc/82/94/73/1169829473.db2.gz ZJWALEVHCBEEMC-XPUUQOCRSA-N 0 1 241.254 2.131 20 0 BEADMN CCc1cccc(NC(=O)c2cn[nH]c2C)c1O ZINC001157813269 963732885 /nfs/dbraw/zinc/73/28/85/963732885.db2.gz DQWMZQCKROVCJO-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C[C@@H]1C[C@H](N2CCC(F)(F)[C@@H](F)C2)CCO1 ZINC001168111509 963749722 /nfs/dbraw/zinc/74/97/22/963749722.db2.gz AXKWEWLTKANGNX-BBBLOLIVSA-N 0 1 237.265 2.233 20 0 BEADMN Cc1ccccc1[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388325 963772568 /nfs/dbraw/zinc/77/25/68/963772568.db2.gz HIZWWGRGUTYZKH-VIFPVBQESA-N 0 1 246.266 2.336 20 0 BEADMN Cc1cnc(NC2COC(C)(C)OC2)cc1C ZINC001158067435 963801569 /nfs/dbraw/zinc/80/15/69/963801569.db2.gz ZDQGTDGSOCPVDM-UHFFFAOYSA-N 0 1 236.315 2.262 20 0 BEADMN Cc1cnc(CN)n1-c1nccc2ccsc21 ZINC001158163503 963816723 /nfs/dbraw/zinc/81/67/23/963816723.db2.gz VXLAJLYYPFDUCM-UHFFFAOYSA-N 0 1 244.323 2.249 20 0 BEADMN CC[C@H](C)[C@H](Nc1cc(C)c(C)cn1)C(N)=O ZINC001158278069 963841770 /nfs/dbraw/zinc/84/17/70/963841770.db2.gz ITGPEQYDVFVAIF-UFBFGSQYSA-N 0 1 235.331 2.010 20 0 BEADMN Cc1nc2sccc2c(NC2=CCOC2)n1 ZINC001203380611 963895525 /nfs/dbraw/zinc/89/55/25/963895525.db2.gz QRIBDUAFJIXABY-UHFFFAOYSA-N 0 1 233.296 2.326 20 0 BEADMN Oc1cccnc1CNc1ccc2c(n1)CCC2 ZINC001158774230 963923508 /nfs/dbraw/zinc/92/35/08/963923508.db2.gz HIDIIVQRUZOCGX-UHFFFAOYSA-N 0 1 241.294 2.283 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)c1ccsc1 ZINC001158808819 963929856 /nfs/dbraw/zinc/92/98/56/963929856.db2.gz CSMJLKSNRYUGOH-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1(CF)CCC1 ZINC001158817069 963933292 /nfs/dbraw/zinc/93/32/92/963933292.db2.gz YLCGGWMTYZBCRN-UHFFFAOYSA-N 0 1 248.261 2.036 20 0 BEADMN CC(=O)c1c(C)cccc1O[C@H]1CC[N@H+](C)C1 ZINC001228990179 963938319 /nfs/dbraw/zinc/93/83/19/963938319.db2.gz VBNUARWCDRSZBK-LBPRGKRZSA-N 0 1 233.311 2.281 20 0 BEADMN CC(=O)c1c(C)cccc1O[C@H]1CCN(C)C1 ZINC001228990179 963938323 /nfs/dbraw/zinc/93/83/23/963938323.db2.gz VBNUARWCDRSZBK-LBPRGKRZSA-N 0 1 233.311 2.281 20 0 BEADMN Cc1ccc(NC[C@@H]2COC(C)(C)O2)nc1C ZINC001158924573 963956943 /nfs/dbraw/zinc/95/69/43/963956943.db2.gz ZQYKRKYGXKDNHH-LLVKDONJSA-N 0 1 236.315 2.262 20 0 BEADMN COCc1nn(C2CCC(C)CC2)c2c1CNC2 ZINC001168212887 963991854 /nfs/dbraw/zinc/99/18/54/963991854.db2.gz UEHITPFRZMJUSP-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN F[C@H]1C[C@H](CNc2cccc3[nH]nnc32)C1 ZINC001168238070 964026470 /nfs/dbraw/zinc/02/64/70/964026470.db2.gz SDEGDSHIMGCUQR-ZKCHVHJHSA-N 0 1 220.251 2.118 20 0 BEADMN Cn1cncc1Nc1c(Cl)cccc1CO ZINC001159230799 964028756 /nfs/dbraw/zinc/02/87/56/964028756.db2.gz XEYOQBMTGISQRH-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN OC[C@H]1C[C@@H](Nc2cc(OCC3CC3)ccn2)C1 ZINC001168243789 964048245 /nfs/dbraw/zinc/04/82/45/964048245.db2.gz WOYRMDMOKBKHPK-TXEJJXNPSA-N 0 1 248.326 2.053 20 0 BEADMN CC[C@@](N)(CO)Nc1nccc2c(C)cccc21 ZINC001159744610 964175249 /nfs/dbraw/zinc/17/52/49/964175249.db2.gz UDZNCBUWXROGLM-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1ncn(-c2cccc(OC(F)F)c2)c1N ZINC001212058354 964176610 /nfs/dbraw/zinc/17/66/10/964176610.db2.gz FUPDGJDLMVACQU-UHFFFAOYSA-N 0 1 239.225 2.364 20 0 BEADMN Cc1cc(Nc2nnco2)cnc1OC(C)C ZINC001214937095 964251455 /nfs/dbraw/zinc/25/14/55/964251455.db2.gz GLSXNMSAPFOKHZ-UHFFFAOYSA-N 0 1 234.259 2.304 20 0 BEADMN Nc1cncn1-c1cc(Cl)nc(Cl)c1 ZINC001212092360 964254964 /nfs/dbraw/zinc/25/49/64/964254964.db2.gz WIQHSHDLLYYPQY-UHFFFAOYSA-N 0 1 229.070 2.156 20 0 BEADMN CCc1coc(CN[C@@H](C)Cc2ccncc2)n1 ZINC001256715615 1169837251 /nfs/dbraw/zinc/83/72/51/1169837251.db2.gz DOXYFZBVWHWZEQ-NSHDSACASA-N 0 1 245.326 2.353 20 0 BEADMN Cc1cnc(NCCc2cnc(N)s2)cc1C ZINC001160383459 964295598 /nfs/dbraw/zinc/29/55/98/964295598.db2.gz CRSIGEZDDOSATE-UHFFFAOYSA-N 0 1 248.355 2.392 20 0 BEADMN Cc1ccc(C)c(NCc2ccc(=O)[nH]c2)n1 ZINC001168301234 964399417 /nfs/dbraw/zinc/39/94/17/964399417.db2.gz WNHOJMLTJVKNBW-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN CC(C)(C)COC1CCN(CCF)CC1 ZINC001204878275 964402565 /nfs/dbraw/zinc/40/25/65/964402565.db2.gz RYOREZVHEPXQTB-UHFFFAOYSA-N 0 1 217.328 2.483 20 0 BEADMN CC(C)Oc1ccc(NC2CN(C(C)C)C2)cn1 ZINC001168314849 964427902 /nfs/dbraw/zinc/42/79/02/964427902.db2.gz BFOSZDFHGHACGU-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN CCC1CCC(N2CCN(C#N)CC2)CC1 ZINC001256876422 1169839986 /nfs/dbraw/zinc/83/99/86/1169839986.db2.gz NQMQVQVSWIRYSL-UHFFFAOYSA-N 0 1 221.348 2.054 20 0 BEADMN CCOC(=O)[C@@H](C)CNc1cc(C)c(C)cn1 ZINC001160891470 964437147 /nfs/dbraw/zinc/43/71/47/964437147.db2.gz IAYWXKCYFCYNKZ-NSHDSACASA-N 0 1 236.315 2.310 20 0 BEADMN CCC1(Nc2c[nH]cc3ccnc2-3)COC1 ZINC001168322036 964442107 /nfs/dbraw/zinc/44/21/07/964442107.db2.gz SLLMNBSOSXAAHX-UHFFFAOYSA-N 0 1 217.272 2.154 20 0 BEADMN CCC1(Nc2cnccc2/C=C/N(C)C)COC1 ZINC001168325142 964449347 /nfs/dbraw/zinc/44/93/47/964449347.db2.gz HDZPSLTYXZVSPG-SOFGYWHQSA-N 0 1 247.342 2.205 20 0 BEADMN CCC(=O)N1CC[C@H](Nc2ccc(C)c(C)n2)C1 ZINC001161107617 964523002 /nfs/dbraw/zinc/52/30/02/964523002.db2.gz GIZKTNHBPQYLHG-LBPRGKRZSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1cc(CCC(=O)N[C@]2(C)CC=CCC2)n[nH]1 ZINC001161487312 964613070 /nfs/dbraw/zinc/61/30/70/964613070.db2.gz KYADAJSEASBMGT-CQSZACIVSA-N 0 1 247.342 2.266 20 0 BEADMN CCC1(Nc2ncc3nc(C)[nH]c3n2)CCC1 ZINC001161563026 964642052 /nfs/dbraw/zinc/64/20/52/964642052.db2.gz XZQZCIKHBDLPKT-UHFFFAOYSA-N 0 1 231.303 2.358 20 0 BEADMN CCC(=O)Nc1cc(NCC(F)(F)F)ccn1 ZINC001161636866 964655126 /nfs/dbraw/zinc/65/51/26/964655126.db2.gz PJDRHDPDBFGTIT-UHFFFAOYSA-N 0 1 247.220 2.404 20 0 BEADMN Cc1nnc(CNc2cc(OC(C)C)ccn2)o1 ZINC001161712365 964702451 /nfs/dbraw/zinc/70/24/51/964702451.db2.gz NAWDHIXDWCQRGY-UHFFFAOYSA-N 0 1 248.286 2.172 20 0 BEADMN Cc1ccc(NCCc2nncs2)nc1C ZINC001161729161 964719390 /nfs/dbraw/zinc/71/93/90/964719390.db2.gz FBVIZGYPXGTZOI-UHFFFAOYSA-N 0 1 234.328 2.205 20 0 BEADMN Cc1cnc(N[C@@H](CO)C(C)C)c2[nH]ccc21 ZINC001161735528 964720802 /nfs/dbraw/zinc/72/08/02/964720802.db2.gz WDGIKYLELADKRF-NSHDSACASA-N 0 1 233.315 2.300 20 0 BEADMN Nc1cc(NC2Cc3ccccc3C2)ncc1F ZINC001161756890 964740392 /nfs/dbraw/zinc/74/03/92/964740392.db2.gz ZXWPSYBCZHLGBJ-UHFFFAOYSA-N 0 1 243.285 2.382 20 0 BEADMN Cc1ccc(CNc2ccc3c(n2)NCCO3)o1 ZINC001161769264 964746597 /nfs/dbraw/zinc/74/65/97/964746597.db2.gz WYWSYIOSABTCNA-UHFFFAOYSA-N 0 1 245.282 2.399 20 0 BEADMN CC(C)C1(C(=O)N2CCc3nc[nH]c3C2)CCC1 ZINC001142648487 964750322 /nfs/dbraw/zinc/75/03/22/964750322.db2.gz NZLJKOGYWYWGJI-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1cc(N(C)C)nc(NCCC(F)(F)F)n1 ZINC001161823329 964773889 /nfs/dbraw/zinc/77/38/89/964773889.db2.gz RIQYVITUWBJGQW-UHFFFAOYSA-N 0 1 248.252 2.215 20 0 BEADMN CCO[C@@H]1CCC[C@H](NCC(F)F)C1 ZINC000721264102 964782764 /nfs/dbraw/zinc/78/27/64/964782764.db2.gz XJMNRAVVLSSWAA-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCc1cnn(C)c1 ZINC001161853056 964793545 /nfs/dbraw/zinc/79/35/45/964793545.db2.gz OENDBRXOLBXDQZ-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1ccnc(NCc2ccnn2C)c1C ZINC001161870986 964803840 /nfs/dbraw/zinc/80/38/40/964803840.db2.gz MPAPIQKLIBLHTI-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN Cc1ccnc(NCCN2CCCCC2=O)c1C ZINC001161938308 964823485 /nfs/dbraw/zinc/82/34/85/964823485.db2.gz WUKWZQJVIABWMS-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001142668079 964845216 /nfs/dbraw/zinc/84/52/16/964845216.db2.gz DERIGRUXFNYOSH-KPKJPENVSA-N 0 1 238.375 2.285 20 0 BEADMN CC1(C)CC[C@@H](CNc2ccnc(N)n2)C1 ZINC001162122585 964848429 /nfs/dbraw/zinc/84/84/29/964848429.db2.gz DVJRIBHLGAUKBG-SECBINFHSA-N 0 1 220.320 2.297 20 0 BEADMN Cc1ncc(CNc2cccc3[nH]nnc32)s1 ZINC001162161273 964858101 /nfs/dbraw/zinc/85/81/01/964858101.db2.gz CMLQTJINYNRRRI-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN c1nc2c(ccnc2-c2ccc3nonc3c2)[nH]1 ZINC001204912125 964864202 /nfs/dbraw/zinc/86/42/02/964864202.db2.gz USWSTEBVQHPLSY-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1nc2cc[nH]c(-c3ccc4nonc4c3)c-2n1 ZINC001204912125 964864203 /nfs/dbraw/zinc/86/42/03/964864203.db2.gz USWSTEBVQHPLSY-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN COc1cnc(NC2CN(C(C)(C)C)C2)c(C)c1 ZINC001162221673 964879819 /nfs/dbraw/zinc/87/98/19/964879819.db2.gz QOFASYCWPDLZME-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN CC(C)(C)N1CC(Nc2ncc(Cl)cn2)C1 ZINC001162220264 964881164 /nfs/dbraw/zinc/88/11/64/964881164.db2.gz NCIMAFMGHYOTNY-UHFFFAOYSA-N 0 1 240.738 2.025 20 0 BEADMN CN(C)Cc1cccc(NCC(C)(F)F)n1 ZINC001162230786 964885648 /nfs/dbraw/zinc/88/56/48/964885648.db2.gz SNBBVEQIMWMMEU-UHFFFAOYSA-N 0 1 229.274 2.210 20 0 BEADMN Cc1oncc1CNc1cc(C)c2nc[nH]c2n1 ZINC001162268791 964896778 /nfs/dbraw/zinc/89/67/78/964896778.db2.gz CZUMTFTZXNRRPW-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN CC(=O)C1CCN(Cc2ccnc(C)c2)CC1 ZINC000698053455 964956258 /nfs/dbraw/zinc/95/62/58/964956258.db2.gz GBTFMTXWSLJTKT-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1cc2c(nn1)CNC2 ZINC001162526473 965029532 /nfs/dbraw/zinc/02/95/32/965029532.db2.gz QETROVPDVGYHKO-QWRGUYRKSA-N 0 1 246.358 2.318 20 0 BEADMN Cc1ccc(C)c(NCc2cnc(C)nc2)n1 ZINC001168379107 965086557 /nfs/dbraw/zinc/08/65/57/965086557.db2.gz DTHPAVRUESMRPK-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2C=CCC2)c2nccn21 ZINC000698194278 965095452 /nfs/dbraw/zinc/09/54/52/965095452.db2.gz FCJASFZOQCNKGJ-OUAUKWLOSA-N 0 1 203.289 2.197 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1C=CCC1 ZINC000698236438 965120507 /nfs/dbraw/zinc/12/05/07/965120507.db2.gz WGRNCDZUTFFLLJ-NSHDSACASA-N 0 1 205.305 2.272 20 0 BEADMN Cc1ccc(NCC2CC(=O)C2)c(CN(C)C)c1 ZINC001168398064 965160594 /nfs/dbraw/zinc/16/05/94/965160594.db2.gz HLHHEFBPYZDKMT-UHFFFAOYSA-N 0 1 246.354 2.448 20 0 BEADMN Cc1ccc(CNc2cccc3[nH]nnc32)cn1 ZINC001162874554 965200248 /nfs/dbraw/zinc/20/02/48/965200248.db2.gz BGMZJZDUWWYGPV-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1cc(-n2c(N)nc3ccccc32)cnc1F ZINC001212175940 965247346 /nfs/dbraw/zinc/24/73/46/965247346.db2.gz LXJQUKBAEVHFSL-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN CCSC1(CNCc2nnc(C)s2)CC1 ZINC000698388197 965274953 /nfs/dbraw/zinc/27/49/53/965274953.db2.gz NAKLOXAWCWSCCN-UHFFFAOYSA-N 0 1 243.401 2.222 20 0 BEADMN CN(Cc1n[nH]c2c1CCC2)C1CC(F)(F)C1 ZINC001232427877 965353952 /nfs/dbraw/zinc/35/39/52/965353952.db2.gz IKTHGRHXJLSLST-UHFFFAOYSA-N 0 1 241.285 2.128 20 0 BEADMN CCOC(=O)CC(=N)Nc1cccc(NC)c1C ZINC001163449286 965407312 /nfs/dbraw/zinc/40/73/12/965407312.db2.gz UTYWTWPNTJPOEM-UHFFFAOYSA-N 0 1 249.314 2.379 20 0 BEADMN CCCOc1ccc(F)cc1-n1cncc1N ZINC001212195433 965425975 /nfs/dbraw/zinc/42/59/75/965425975.db2.gz PYYGWIOWTJSMMD-UHFFFAOYSA-N 0 1 235.262 2.382 20 0 BEADMN CCN(C)c1nc2[nH]cnc2cc1Cl ZINC001163584156 965463458 /nfs/dbraw/zinc/46/34/58/965463458.db2.gz IXGWNQXXQDFYOZ-UHFFFAOYSA-N 0 1 210.668 2.067 20 0 BEADMN Cc1cnc(NCc2ccc3nc[nH]c3c2)nc1 ZINC001163720727 965532946 /nfs/dbraw/zinc/53/29/46/965532946.db2.gz AMTFASYTHSTEJS-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1ccc(N(C)Cc2ncccn2)nc1C ZINC001163924732 965637110 /nfs/dbraw/zinc/63/71/10/965637110.db2.gz KGGBQFNUWWBUEI-UHFFFAOYSA-N 0 1 228.299 2.125 20 0 BEADMN CCOc1ccnc(N2CCCO[C@H](C)C2)c1 ZINC001163961569 965661100 /nfs/dbraw/zinc/66/11/00/965661100.db2.gz ARBQSVBDBFPKGF-LLVKDONJSA-N 0 1 236.315 2.096 20 0 BEADMN CCc1ncc(CNc2cc(C(C)C)ncn2)[nH]1 ZINC001164243365 965809629 /nfs/dbraw/zinc/80/96/29/965809629.db2.gz LDAKREMEGGEPME-UHFFFAOYSA-N 0 1 245.330 2.498 20 0 BEADMN C[C@@H](COc1ccccc1)NCc1cnccn1 ZINC000699346040 965848417 /nfs/dbraw/zinc/84/84/17/965848417.db2.gz XPJVACPZSBKTHI-LBPRGKRZSA-N 0 1 243.310 2.034 20 0 BEADMN Cc1cnc(NCC2(CO)CCC2)c2[nH]ccc21 ZINC001164357537 965856747 /nfs/dbraw/zinc/85/67/47/965856747.db2.gz INONCWVTPSWION-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN C[C@H](Cc1cccc(F)c1)N1CC2(COC2)C1 ZINC001168476328 965866263 /nfs/dbraw/zinc/86/62/63/965866263.db2.gz UBBXQRWCEZXKSR-LLVKDONJSA-N 0 1 235.302 2.089 20 0 BEADMN Cc1nc2ccc(NCCn3cccc3)nc2[nH]1 ZINC001164452335 965889255 /nfs/dbraw/zinc/88/92/55/965889255.db2.gz HMBKVTWAZPCGME-UHFFFAOYSA-N 0 1 241.298 2.180 20 0 BEADMN CC[C@@H]1COC[C@@H]1N[C@H](C)c1cscn1 ZINC000699474133 965900245 /nfs/dbraw/zinc/90/02/45/965900245.db2.gz UMAUPFWNHLSWAZ-BBBLOLIVSA-N 0 1 226.345 2.219 20 0 BEADMN CCOc1ccnc(N2CC(C)(F)C2)c1 ZINC001164585698 965927159 /nfs/dbraw/zinc/92/71/59/965927159.db2.gz BWQMSFHOCCIXFH-UHFFFAOYSA-N 0 1 210.252 2.029 20 0 BEADMN Clc1ccc(CN2CC[C@@H](C3CC3)C2)nn1 ZINC000400365238 965948177 /nfs/dbraw/zinc/94/81/77/965948177.db2.gz CWYSPNREWZKMHH-SNVBAGLBSA-N 0 1 237.734 2.362 20 0 BEADMN CC[C@@H](NCc1nnc[nH]1)c1ccc(C)c(F)c1 ZINC001307641986 965953987 /nfs/dbraw/zinc/95/39/87/965953987.db2.gz CRKYTOWUJKBYQX-GFCCVEGCSA-N 0 1 248.305 2.493 20 0 BEADMN Cc1cnc(N2CC[C@@H]3COC[C@@H]3C2)cc1C ZINC001165268802 966017023 /nfs/dbraw/zinc/01/70/23/966017023.db2.gz LJQDLMZTLHKOAZ-OLZOCXBDSA-N 0 1 232.327 2.171 20 0 BEADMN CCO[C@@H]1CCN(Cc2cccc(CC)n2)C1 ZINC001235256854 966032979 /nfs/dbraw/zinc/03/29/79/966032979.db2.gz BVKLPVATRXDIIU-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000699776041 966085541 /nfs/dbraw/zinc/08/55/41/966085541.db2.gz KWDHPVUYIZNDSZ-FZMZJTMJSA-N 0 1 249.358 2.123 20 0 BEADMN CCCONC(=O)c1ccc(Cl)cc1O ZINC000699858698 966148596 /nfs/dbraw/zinc/14/85/96/966148596.db2.gz REEBWXNNNGDIOB-UHFFFAOYSA-N 0 1 229.663 2.117 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691659355 966293795 /nfs/dbraw/zinc/29/37/95/966293795.db2.gz GKVXFZDKVMFFIW-IFWUJCSASA-N 0 1 237.343 2.219 20 0 BEADMN COC(=O)c1ccccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001137791736 966309174 /nfs/dbraw/zinc/30/91/74/966309174.db2.gz USJNOBREMWHSCR-RISCZKNCSA-N 0 1 245.322 2.458 20 0 BEADMN CCc1ccnc(N=C(C)CC(=O)OC(C)C)n1 ZINC001166728588 966379416 /nfs/dbraw/zinc/37/94/16/966379416.db2.gz PJBMMBYOHKAMBJ-NTMALXAHSA-N 0 1 249.314 2.306 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1ncc(C)cn1 ZINC001166763279 966401614 /nfs/dbraw/zinc/40/16/14/966401614.db2.gz DBJHDCAMQCPMPF-YHYXMXQVSA-N 0 1 235.287 2.052 20 0 BEADMN CC(C)Oc1ccnc(N2CCC(=O)C[C@@H]2C)c1 ZINC001166931625 966446965 /nfs/dbraw/zinc/44/69/65/966446965.db2.gz BEHMJXGUAJUMJU-NSHDSACASA-N 0 1 248.326 2.427 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(CO)cc1 ZINC001203181756 966546013 /nfs/dbraw/zinc/54/60/13/966546013.db2.gz FPNIIDMVKSKUBJ-MFKMUULPSA-N 0 1 223.291 2.111 20 0 BEADMN CC(C)[C@H]1COCCN1Cc1ccc(CO)cc1 ZINC001203188899 966547654 /nfs/dbraw/zinc/54/76/54/966547654.db2.gz BMUWMARJNUWHKW-OAHLLOKOSA-N 0 1 249.354 2.036 20 0 BEADMN CCc1cc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)on1 ZINC001203231564 966569255 /nfs/dbraw/zinc/56/92/55/966569255.db2.gz HHORNVBHMBQBIB-GXFFZTMASA-N 0 1 248.326 2.038 20 0 BEADMN CCc1cc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)on1 ZINC001203231566 966570941 /nfs/dbraw/zinc/57/09/41/966570941.db2.gz HHORNVBHMBQBIB-ZWNOBZJWSA-N 0 1 248.326 2.038 20 0 BEADMN c1coc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001203272251 966592703 /nfs/dbraw/zinc/59/27/03/966592703.db2.gz DCIDZYPUKKPCHW-WCQYABFASA-N 0 1 221.300 2.281 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC001203285645 966595847 /nfs/dbraw/zinc/59/58/47/966595847.db2.gz SRAOVKMXRXYTJV-NSHDSACASA-N 0 1 207.273 2.081 20 0 BEADMN Cc1cc(F)ncc1CNCc1ccnc(F)c1 ZINC001203290034 966604992 /nfs/dbraw/zinc/60/49/92/966604992.db2.gz UYZSSOQECFCLHO-UHFFFAOYSA-N 0 1 249.264 2.353 20 0 BEADMN COc1ccccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203427190 966642445 /nfs/dbraw/zinc/64/24/45/966642445.db2.gz FFJWFFCPUGTMFX-AVGNSLFASA-N 0 1 235.302 2.485 20 0 BEADMN CC(=O)[C@@H]1CCCCN1Cc1cccc(N)c1 ZINC001237222910 966648176 /nfs/dbraw/zinc/64/81/76/966648176.db2.gz YMBBRHTZWBQOCU-AWEZNQCLSA-N 0 1 232.327 2.212 20 0 BEADMN Fc1cccc([C@@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237607558 966676925 /nfs/dbraw/zinc/67/69/25/966676925.db2.gz BJLWGSYIXAWKAN-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN Cc1ccccc1CN1CCc2cnn(C)c2C1 ZINC001203708119 966745215 /nfs/dbraw/zinc/74/52/15/966745215.db2.gz FIDMMRSUOUJSHN-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CN1CCC12CN(CC1(c3ccccc3)CC1)C2 ZINC001276423891 966791121 /nfs/dbraw/zinc/79/11/21/966791121.db2.gz CDUCRMDKRZRXTJ-UHFFFAOYSA-N 0 1 242.366 2.108 20 0 BEADMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC001203918097 966821104 /nfs/dbraw/zinc/82/11/04/966821104.db2.gz TYKUXKBVKRZTLG-LERXQTSPSA-N 0 1 235.302 2.292 20 0 BEADMN COc1ccc(CN2CC3(CSC3)C2)cc1 ZINC001203959625 966829500 /nfs/dbraw/zinc/82/95/00/966829500.db2.gz UXRBYDCLCLTGCV-UHFFFAOYSA-N 0 1 235.352 2.244 20 0 BEADMN COCOc1ccc(C)c(Nc2cncn2C)c1 ZINC001214359488 966839159 /nfs/dbraw/zinc/83/91/59/966839159.db2.gz KYXQKEKBBHXPLP-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN C[C@@H]1COCCN1Cc1c[nH]c2ccccc12 ZINC001204041471 966865877 /nfs/dbraw/zinc/86/58/77/966865877.db2.gz OEUCAXPSZLEDJF-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN Cc1cccc(CN2CCC[C@@]3(CCO3)C2)n1 ZINC001204067921 966876272 /nfs/dbraw/zinc/87/62/72/966876272.db2.gz NNADVIIULPKELS-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc(O)cc1 ZINC001204088972 966889581 /nfs/dbraw/zinc/88/95/81/966889581.db2.gz MFNYLRUAOSBKIH-KOLCDFICSA-N 0 1 209.264 2.325 20 0 BEADMN O[C@@H]1CCCCN(Cc2ccc(F)cc2F)C1 ZINC001204207843 966929290 /nfs/dbraw/zinc/92/92/90/966929290.db2.gz NIVWLMZEUOCWTA-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN c1cc(C[N@H+]2CC[C@]3(CCCO3)C2)co1 ZINC001204241957 966936736 /nfs/dbraw/zinc/93/67/36/966936736.db2.gz MXEVGLJELZLYRA-GFCCVEGCSA-N 0 1 207.273 2.035 20 0 BEADMN COC(=O)C[C@H]1CCCN(Cc2ccoc2)C1 ZINC001204243671 966939458 /nfs/dbraw/zinc/93/94/58/966939458.db2.gz FEHFZRDAZCBGMI-LLVKDONJSA-N 0 1 237.299 2.055 20 0 BEADMN O=C1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC001204248322 966946310 /nfs/dbraw/zinc/94/63/10/966946310.db2.gz VVIYFYANOBLEDC-NWDGAFQWSA-N 0 1 219.284 2.081 20 0 BEADMN O=C1CCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]12 ZINC001204248326 966946556 /nfs/dbraw/zinc/94/65/56/966946556.db2.gz VVIYFYANOBLEDC-RYUDHWBXSA-N 0 1 219.284 2.081 20 0 BEADMN COc1cccc(OC)c1CN1CC[C@@H]1C ZINC001204251395 966946663 /nfs/dbraw/zinc/94/66/63/966946663.db2.gz XLOGRPBKECBEDX-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN CCOC(=O)CCN(C)Cc1ccc(CC)o1 ZINC001204393552 966991440 /nfs/dbraw/zinc/99/14/40/966991440.db2.gz ZZZYQRJKTFJWAB-UHFFFAOYSA-N 0 1 239.315 2.227 20 0 BEADMN Clc1ccc(CN2CCN3CC[C@@H]3C2)s1 ZINC001204448151 966999587 /nfs/dbraw/zinc/99/95/87/966999587.db2.gz QSJKJBFOYYZURR-SECBINFHSA-N 0 1 242.775 2.291 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@]12CCOC2 ZINC001204514569 967015768 /nfs/dbraw/zinc/01/57/68/967015768.db2.gz ZSSNGPMOEGOZHQ-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)o2)C1 ZINC001204536000 967035843 /nfs/dbraw/zinc/03/58/43/967035843.db2.gz CAHOFPHWOYDTPN-NSHDSACASA-N 0 1 209.289 2.117 20 0 BEADMN COc1ncc(-c2cc3[nH]ccc3cn2)cc1N ZINC001239622981 967049290 /nfs/dbraw/zinc/04/92/90/967049290.db2.gz QVOWUTMMMBRZOA-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cnc(N)c(C)c2)on1 ZINC001249779223 967053768 /nfs/dbraw/zinc/05/37/68/967053768.db2.gz SHELLGDEYIDDGE-SECBINFHSA-N 0 1 246.314 2.312 20 0 BEADMN Cc1cc(F)c(-n2cncc2N)cc1F ZINC001249795549 967074469 /nfs/dbraw/zinc/07/44/69/967074469.db2.gz NVFYCXFCEXROKN-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN Cc1nn(C)cc1CN1CCC[C@H](C(F)F)C1 ZINC001204578657 967075376 /nfs/dbraw/zinc/07/53/76/967075376.db2.gz NDYIOMKHMJXSER-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1nc(CO)cs1 ZINC001204657531 967123223 /nfs/dbraw/zinc/12/32/23/967123223.db2.gz HKFOBPRPNWBILS-LLVKDONJSA-N 0 1 240.372 2.256 20 0 BEADMN C[N@H+]1CCCC[C@H]1c1ccc(NC#N)nc1 ZINC001168627821 967126416 /nfs/dbraw/zinc/12/64/16/967126416.db2.gz JTLJNEICSMCCGT-NSHDSACASA-N 0 1 216.288 2.131 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2cccn2C)[nH]n1 ZINC001116439023 967163257 /nfs/dbraw/zinc/16/32/57/967163257.db2.gz CPJNGJPRZJAKCT-AWEZNQCLSA-N 0 1 244.342 2.394 20 0 BEADMN CCC(=O)CO[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204864331 967207240 /nfs/dbraw/zinc/20/72/40/967207240.db2.gz XBJPSYDXCOZRGX-OAHLLOKOSA-N 0 1 247.338 2.257 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)c1ccncc1O ZINC000162970298 967220613 /nfs/dbraw/zinc/22/06/13/967220613.db2.gz KPONPOFLQWDIGE-UWVGGRQHSA-N 0 1 234.299 2.190 20 0 BEADMN CCOC(=O)CCCCc1ccc2[nH]nnc2c1 ZINC001249980373 967222722 /nfs/dbraw/zinc/22/27/22/967222722.db2.gz ALWUJRPAAPQLID-UHFFFAOYSA-N 0 1 247.298 2.234 20 0 BEADMN CCOC(=O)CCCCc1ccc2nn[nH]c2c1 ZINC001249980373 967222730 /nfs/dbraw/zinc/22/27/30/967222730.db2.gz ALWUJRPAAPQLID-UHFFFAOYSA-N 0 1 247.298 2.234 20 0 BEADMN Cc1c[nH]c(CNCCSC(C)(C)C)n1 ZINC000693478407 967232749 /nfs/dbraw/zinc/23/27/49/967232749.db2.gz DVHYUQZAFYLHMS-UHFFFAOYSA-N 0 1 227.377 2.339 20 0 BEADMN COc1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001239930266 967258271 /nfs/dbraw/zinc/25/82/71/967258271.db2.gz KNVASKAMTOACEC-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001239930266 967258278 /nfs/dbraw/zinc/25/82/78/967258278.db2.gz KNVASKAMTOACEC-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ccncc1-c1cccc2[nH]nnc21 ZINC001239975549 967274953 /nfs/dbraw/zinc/27/49/53/967274953.db2.gz XQPMADWPULNQNH-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CN1CCN(c2ccc(CC3CC3)cc2)CC1 ZINC001250035896 967286266 /nfs/dbraw/zinc/28/62/66/967286266.db2.gz CHRKCWMPJDSYMQ-UHFFFAOYSA-N 0 1 230.355 2.391 20 0 BEADMN CCN1CCN(Cc2cccn2C(F)F)CC1 ZINC001205046208 967303353 /nfs/dbraw/zinc/30/33/53/967303353.db2.gz MXRIZRPPJFRGRX-UHFFFAOYSA-N 0 1 243.301 2.021 20 0 BEADMN Cc1cc(Nc2ccncc2)c(C)cc1CO ZINC001250056605 967318630 /nfs/dbraw/zinc/31/86/30/967318630.db2.gz FBLSOLGCKWOYIQ-UHFFFAOYSA-N 0 1 228.295 2.356 20 0 BEADMN Cn1ccnc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001205112170 967358002 /nfs/dbraw/zinc/35/80/02/967358002.db2.gz YJFOEWYMPRIEEI-NEPJUHHUSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CC[C@H]2CCC[C@H]2C1 ZINC001205112170 967358011 /nfs/dbraw/zinc/35/80/11/967358011.db2.gz YJFOEWYMPRIEEI-NEPJUHHUSA-N 0 1 219.332 2.042 20 0 BEADMN C[C@H]1CC[C@H]([N@@H+](C)Cc2nccn2C)CC1 ZINC001205155259 967399483 /nfs/dbraw/zinc/39/94/83/967399483.db2.gz VKGBCTLPSSMIHM-HAQNSBGRSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2nccn2C)CC1 ZINC001205155259 967399493 /nfs/dbraw/zinc/39/94/93/967399493.db2.gz VKGBCTLPSSMIHM-HAQNSBGRSA-N 0 1 221.348 2.431 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1cc2c(nn1)CNC2 ZINC001168696398 967414644 /nfs/dbraw/zinc/41/46/44/967414644.db2.gz SOYIUZVKAAXLSH-VHSXEESVSA-N 0 1 234.347 2.316 20 0 BEADMN Cc1nnc(C(=O)N[C@@H](C)CCCC(C)C)[nH]1 ZINC000095061947 967427973 /nfs/dbraw/zinc/42/79/73/967427973.db2.gz SMYXWZKTYIEEDI-VIFPVBQESA-N 0 1 238.335 2.058 20 0 BEADMN Cc1nc(Cc2cnc(N)cc2C)cs1 ZINC001250197508 967517215 /nfs/dbraw/zinc/51/72/15/967517215.db2.gz ZINYEQLBNLOVBJ-UHFFFAOYSA-N 0 1 219.313 2.328 20 0 BEADMN Clc1ccsc1CN1CCN2CC[C@@H]2C1 ZINC001205354095 967579140 /nfs/dbraw/zinc/57/91/40/967579140.db2.gz RWOKBSMFGPZEBB-SECBINFHSA-N 0 1 242.775 2.291 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cncnc1 ZINC001240375745 967581311 /nfs/dbraw/zinc/58/13/11/967581311.db2.gz NUPSNRJLWQAXAV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CCc1cc(N[C@H]2CCC[C@H]2C(=O)[O-])nc(C)[nH+]1 ZINC000088759906 967586829 /nfs/dbraw/zinc/58/68/29/967586829.db2.gz VOELWSYPTWCFHG-MNOVXSKESA-N 0 1 249.314 2.013 20 0 BEADMN COc1ccc(Nc2nccn2C)c(Cl)n1 ZINC001250286023 967616739 /nfs/dbraw/zinc/61/67/39/967616739.db2.gz LRTNWFNGPXQTJW-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CCOC(C)(C)CNCc1ncccc1F ZINC001205423306 967625690 /nfs/dbraw/zinc/62/56/90/967625690.db2.gz MASGQJPODZUMAO-UHFFFAOYSA-N 0 1 226.295 2.125 20 0 BEADMN COCCCc1cccc(CN(C)C)c1F ZINC001250302339 967644424 /nfs/dbraw/zinc/64/44/24/967644424.db2.gz CGWOLKNADDCHEY-UHFFFAOYSA-N 0 1 225.307 2.466 20 0 BEADMN Clc1cccc2c1C[C@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001168735374 967694698 /nfs/dbraw/zinc/69/46/98/967694698.db2.gz RPSRCANAEWAFFB-WOPDTQHZSA-N 0 1 249.741 2.280 20 0 BEADMN c1cn(CCc2cccc3nc[nH]c32)cn1 ZINC001250320072 967698130 /nfs/dbraw/zinc/69/81/30/967698130.db2.gz XNDDHVLPNNYBKG-UHFFFAOYSA-N 0 1 212.256 2.002 20 0 BEADMN Cc1ncc(Nc2ccc3cncn3c2)cn1 ZINC001250323245 967701999 /nfs/dbraw/zinc/70/19/99/967701999.db2.gz FHCVGRWGVMZGMV-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Cc1cnc(C)c(Nc2ccc3cncn3c2)n1 ZINC001250323162 967702533 /nfs/dbraw/zinc/70/25/33/967702533.db2.gz TWHOFBKXNMWYLQ-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN CN(c1ccc2cncn2c1)c1ncccc1N ZINC001250323968 967703711 /nfs/dbraw/zinc/70/37/11/967703711.db2.gz LIZARDQVHXVUIX-UHFFFAOYSA-N 0 1 239.282 2.079 20 0 BEADMN CCCN(C)Cc1cc(C)c(OC)nc1OC ZINC001250326078 967705107 /nfs/dbraw/zinc/70/51/07/967705107.db2.gz QDSSDACTNVZHFJ-UHFFFAOYSA-N 0 1 238.331 2.249 20 0 BEADMN Cc1ncncc1Nc1ccc2cncn2c1 ZINC001250327059 967711938 /nfs/dbraw/zinc/71/19/38/967711938.db2.gz HNGBFOJOZCOLNQ-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Cc1nocc1Nc1ccc2cncn2c1 ZINC001250327494 967712407 /nfs/dbraw/zinc/71/24/07/967712407.db2.gz ZKEJUDJROLOEHA-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN Cc1nnc(Cc2c(F)cc(F)c(O)c2F)o1 ZINC001250339082 967730080 /nfs/dbraw/zinc/73/00/80/967730080.db2.gz MUEOZMQRMQCUIL-UHFFFAOYSA-N 0 1 244.172 2.092 20 0 BEADMN Cc1nnc(Cc2ccc3c(c2)n[nH]c3C)o1 ZINC001250340223 967731798 /nfs/dbraw/zinc/73/17/98/967731798.db2.gz ZOGMXZPZCRLYHR-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1ccc(F)c(CN2CCN(C)[C@H](C)C2)c1 ZINC001205655677 967747832 /nfs/dbraw/zinc/74/78/32/967747832.db2.gz VVUOYEBMGYJMIR-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN Cc1ccc(F)c(CN2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001205670404 967759266 /nfs/dbraw/zinc/75/92/66/967759266.db2.gz OLZQQLNZTJTCMO-CYBMUJFWSA-N 0 1 234.318 2.024 20 0 BEADMN Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])n1 ZINC000235322423 967762698 /nfs/dbraw/zinc/76/26/98/967762698.db2.gz KWGHGCCVWLYLAK-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250425386 967838374 /nfs/dbraw/zinc/83/83/74/967838374.db2.gz FBVRSSROGMFOIC-UHFFFAOYSA-N 0 1 245.282 2.092 20 0 BEADMN CCCc1nc2ccc(OCOC)cc2[nH]1 ZINC001250426125 967839144 /nfs/dbraw/zinc/83/91/44/967839144.db2.gz DHWVBXFPQFPMDC-UHFFFAOYSA-N 0 1 220.272 2.498 20 0 BEADMN CCCc1nc2cc3c(cc2[nH]1)OCC3 ZINC001250426086 967840990 /nfs/dbraw/zinc/84/09/90/967840990.db2.gz AYWFCXCRTIOJFO-UHFFFAOYSA-N 0 1 202.257 2.450 20 0 BEADMN CCc1nc2cc(F)c(N3CCOCC3)cc2[nH]1 ZINC001250426428 967842622 /nfs/dbraw/zinc/84/26/22/967842622.db2.gz FAJVTWJLQHFDBW-UHFFFAOYSA-N 0 1 249.289 2.101 20 0 BEADMN CCc1nc2cc(N3CCOCC3)c(F)cc2[nH]1 ZINC001250426428 967842623 /nfs/dbraw/zinc/84/26/23/967842623.db2.gz FAJVTWJLQHFDBW-UHFFFAOYSA-N 0 1 249.289 2.101 20 0 BEADMN CC(C)Cn1cc(Nc2ccnc(CO)c2)cn1 ZINC001205851202 967853105 /nfs/dbraw/zinc/85/31/05/967853105.db2.gz YDVSSHBMPHPIDB-UHFFFAOYSA-N 0 1 246.314 2.170 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(CC(C)C)c1 ZINC001205850881 967853505 /nfs/dbraw/zinc/85/35/05/967853505.db2.gz RMXLCTWVBXOEJH-UHFFFAOYSA-N 0 1 233.319 2.325 20 0 BEADMN Cc1[nH]nc2cc(Cc3ccnn3C)ccc12 ZINC001250437502 967856789 /nfs/dbraw/zinc/85/67/89/967856789.db2.gz OPMIFKHGNIHBPH-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN Cc1ncc(-c2ccc3cncn3c2)cn1 ZINC001205853991 967857380 /nfs/dbraw/zinc/85/73/80/967857380.db2.gz MYISQEMAOAZSFA-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN COc1cc2nc(-c3cc(C)[nH]n3)[nH]c2cc1F ZINC001250439688 967862323 /nfs/dbraw/zinc/86/23/23/967862323.db2.gz ZYEWECGVGHEFQO-UHFFFAOYSA-N 0 1 246.245 2.409 20 0 BEADMN Cc1nc2c(cncc2-c2cnc(C)nc2)[nH]1 ZINC001205870098 967866776 /nfs/dbraw/zinc/86/67/76/967866776.db2.gz ULNJMBZWRAMKJA-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnc(C)nc3)c-2n1 ZINC001205870098 967866778 /nfs/dbraw/zinc/86/67/78/967866778.db2.gz ULNJMBZWRAMKJA-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ccc2[nH]c(-c3c[nH]nn3)nc2c1Cl ZINC001250446094 967873395 /nfs/dbraw/zinc/87/33/95/967873395.db2.gz QVOLOJYRQICNAI-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN O=C1C[C@H](c2ccccc2)CN1CN1CCCC1 ZINC001319460637 1169912649 /nfs/dbraw/zinc/91/26/49/1169912649.db2.gz BKDCQRWDVZROEL-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN CN(C)c1ccc2nc(-c3ncc[nH]3)[nH]c2c1 ZINC001250470091 967893605 /nfs/dbraw/zinc/89/36/05/967893605.db2.gz PQVLFRPQGBGCCK-UHFFFAOYSA-N 0 1 227.271 2.019 20 0 BEADMN Cc1[nH]nc2cc(-c3ncc(F)cn3)ccc12 ZINC001250475884 967903356 /nfs/dbraw/zinc/90/33/56/967903356.db2.gz PPIFWLSYXADCKT-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC(C)SCCNCc1nnc(C(C)C)[nH]1 ZINC001205966816 967914921 /nfs/dbraw/zinc/91/49/21/967914921.db2.gz GAKQNEPXFHHSHK-UHFFFAOYSA-N 0 1 242.392 2.159 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302433017 967915170 /nfs/dbraw/zinc/91/51/70/967915170.db2.gz ACOQSRSLMSADHZ-WOPDTQHZSA-N 0 1 248.326 2.185 20 0 BEADMN CCOc1ccc2nc(-c3cncn3C)[nH]c2c1 ZINC001250489198 967952172 /nfs/dbraw/zinc/95/21/72/967952172.db2.gz CMPQKTTVABYZCM-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN Cc1nc(C2=CCCN(C)C2)ccc1F ZINC001250488890 967955476 /nfs/dbraw/zinc/95/54/76/967955476.db2.gz QBTGORLHAMMINE-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C(C)(C)C)c1 ZINC001212569640 967977704 /nfs/dbraw/zinc/97/77/04/967977704.db2.gz PBGKHANOHFYHIF-UHFFFAOYSA-N 0 1 233.319 2.424 20 0 BEADMN COc1cc2[nH]c(-c3cn(C)cn3)nc2cc1C ZINC001250511002 968010731 /nfs/dbraw/zinc/01/07/31/968010731.db2.gz AGNUVLFQMIUJOK-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Cc1c2[nH]c(-c3ncccn3)nc2ccc1F ZINC001250523329 968027886 /nfs/dbraw/zinc/02/78/86/968027886.db2.gz DYMJLTJVNUVQOM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COC(OC)c1nc2ccc(C)cc2[nH]1 ZINC001250540664 968047115 /nfs/dbraw/zinc/04/71/15/968047115.db2.gz ONVCLQHJHONJRG-UHFFFAOYSA-N 0 1 206.245 2.163 20 0 BEADMN Cc1nc(CN(CCCCCO)C(C)C)co1 ZINC001206087985 968056326 /nfs/dbraw/zinc/05/63/26/968056326.db2.gz ZTASZRYOLGQTIZ-UHFFFAOYSA-N 0 1 240.347 2.356 20 0 BEADMN c1c2c(cc3[nH]c([C@@H]4CCCOC4)nc13)OCC2 ZINC001250551230 968056704 /nfs/dbraw/zinc/05/67/04/968056704.db2.gz LWPKLKSHIOUSDU-SNVBAGLBSA-N 0 1 244.294 2.392 20 0 BEADMN Cc1cc(F)cc2[nH]c(CCn3cccn3)nc21 ZINC001250563326 968076108 /nfs/dbraw/zinc/07/61/08/968076108.db2.gz XZCPEQDEGKCWSM-UHFFFAOYSA-N 0 1 244.273 2.450 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@H]1C(=O)[O-] ZINC000380866544 968085819 /nfs/dbraw/zinc/08/58/19/968085819.db2.gz WURVNUCXPSRPDZ-IJLUTSLNSA-N 0 1 223.316 2.138 20 0 BEADMN CCCn1cncc1CN1CC(CC)C1 ZINC001206159779 968097469 /nfs/dbraw/zinc/09/74/69/968097469.db2.gz RRFNJYZVKXAWRN-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN COC(=O)[C@H](C)c1nc2ccc(C)c(C)c2[nH]1 ZINC001250576914 968097725 /nfs/dbraw/zinc/09/77/25/968097725.db2.gz HXGUNWAWVDUNAY-SECBINFHSA-N 0 1 232.283 2.456 20 0 BEADMN O=C1Cc2cc(-c3ccc4cncn4c3)ccc2N1 ZINC001206208832 968142464 /nfs/dbraw/zinc/14/24/64/968142464.db2.gz RAKNJCSTKSSTLJ-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN Cc1cc2nc(CN3CCOCC3)[nH]c2c(C)c1 ZINC001250607281 968155699 /nfs/dbraw/zinc/15/56/99/968155699.db2.gz UHSQDTGBNBXKQQ-UHFFFAOYSA-N 0 1 245.326 2.012 20 0 BEADMN COc1cc2nc(-c3ccon3)[nH]c2cc1F ZINC001250621453 968167950 /nfs/dbraw/zinc/16/79/50/968167950.db2.gz IPDAOBUSSIIBNN-UHFFFAOYSA-N 0 1 233.202 2.366 20 0 BEADMN CC(=O)Nc1ccc2nc(-c3ccon3)[nH]c2c1 ZINC001250622248 968169692 /nfs/dbraw/zinc/16/96/92/968169692.db2.gz LRPNIZHLCXROOX-UHFFFAOYSA-N 0 1 242.238 2.176 20 0 BEADMN CCOc1ccc2nc(-c3ccnnc3)[nH]c2c1 ZINC001250830914 968205869 /nfs/dbraw/zinc/20/58/69/968205869.db2.gz NUURTPDJXNXUOP-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CN(C)c1ccc2nc(-c3cccnn3)[nH]c2c1 ZINC001250828107 968206705 /nfs/dbraw/zinc/20/67/05/968206705.db2.gz IWYCCKMLWINIEB-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ccnnc3)nc21 ZINC001250830669 968207071 /nfs/dbraw/zinc/20/70/71/968207071.db2.gz JEXVQMAIFIKCDW-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nccnc1-c1nc2ccc(F)cc2[nH]1 ZINC001250920128 968212711 /nfs/dbraw/zinc/21/27/11/968212711.db2.gz JEALZSGCPLLNIE-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ccc2nc(-c3ncco3)[nH]c2c1 ZINC001250924412 968217538 /nfs/dbraw/zinc/21/75/38/968217538.db2.gz SBBRVCZHYQLIQN-UHFFFAOYSA-N 0 1 215.212 2.227 20 0 BEADMN Cc1nc2cncc(NCCn3cccc3)c2[nH]1 ZINC001164455286 968232135 /nfs/dbraw/zinc/23/21/35/968232135.db2.gz RGZIZYWEHSCLAG-UHFFFAOYSA-N 0 1 241.298 2.180 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nc(CO)cs2)C[C@H]1C ZINC001206343661 968249950 /nfs/dbraw/zinc/24/99/50/968249950.db2.gz RYFALRLJKONKKV-OPRDCNLKSA-N 0 1 240.372 2.112 20 0 BEADMN Cc1c2[nH]c(-c3ccc(=O)[nH]n3)nc2ccc1F ZINC001251060931 968253433 /nfs/dbraw/zinc/25/34/33/968253433.db2.gz ODQVTJQUMLQBKB-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN COc1ncc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cn1 ZINC001206410259 968286222 /nfs/dbraw/zinc/28/62/22/968286222.db2.gz NJXYPYYEIJWXQC-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC001206410259 968286232 /nfs/dbraw/zinc/28/62/32/968286232.db2.gz NJXYPYYEIJWXQC-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CCCCC23CC3)cn1 ZINC001206418367 968290177 /nfs/dbraw/zinc/29/01/77/968290177.db2.gz MBBBGIBFXBAPMD-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001251472385 968293098 /nfs/dbraw/zinc/29/30/98/968293098.db2.gz UIXWQCJNSRMROS-MNOVXSKESA-N 0 1 233.315 2.062 20 0 BEADMN Fc1ccc2[nH]c(-c3nnc[nH]3)nc2c1Cl ZINC001251632307 968293798 /nfs/dbraw/zinc/29/37/98/968293798.db2.gz NVCZQVYLFYQPOI-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN COc1ccc2nc(-c3ncc(C)cn3)[nH]c2c1 ZINC001251659069 968300547 /nfs/dbraw/zinc/30/05/47/968300547.db2.gz SOXDTMRHPGRMOZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cc2nc(-c3c[nH]ccc3=O)[nH]c2cc1F ZINC001251666082 968301935 /nfs/dbraw/zinc/30/19/35/968301935.db2.gz BEXCNLWADVSNLL-UHFFFAOYSA-N 0 1 243.241 2.366 20 0 BEADMN COCC(C)(C)Nc1ccc2nc(C)[nH]c2n1 ZINC001166038489 968305435 /nfs/dbraw/zinc/30/54/35/968305435.db2.gz FQMQTVNUBHDVJG-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN Cn1nncc1-c1nc2ccc(C(F)F)cc2[nH]1 ZINC001251717307 968306291 /nfs/dbraw/zinc/30/62/91/968306291.db2.gz GQDNOSUYAREFIO-UHFFFAOYSA-N 0 1 249.224 2.296 20 0 BEADMN Cc1nnc(CN[C@@H]2CC23CCCC3)s1 ZINC000698331242 968333752 /nfs/dbraw/zinc/33/37/52/968333752.db2.gz RBRALJCUOVZXJH-SECBINFHSA-N 0 1 223.345 2.269 20 0 BEADMN Cc1ccc2nc(-c3cccc(=O)n3C)[nH]c2c1 ZINC001251794909 968333945 /nfs/dbraw/zinc/33/39/45/968333945.db2.gz OKGUOBRKEFVRDY-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1nc2cnc(N3CCC[C@@H](C)[C@H]3C)nc2[nH]1 ZINC001166612789 968347255 /nfs/dbraw/zinc/34/72/55/968347255.db2.gz QEAPTTQLUICVBM-RKDXNWHRSA-N 0 1 245.330 2.238 20 0 BEADMN Cc1nc2cnc(N3CCC[C@H](C)[C@H]3C)nc2[nH]1 ZINC001166612786 968349825 /nfs/dbraw/zinc/34/98/25/968349825.db2.gz QEAPTTQLUICVBM-DTWKUNHWSA-N 0 1 245.330 2.238 20 0 BEADMN COc1ccnc(NC[C@H](O)c2ccccc2)c1 ZINC001251978185 968420844 /nfs/dbraw/zinc/42/08/44/968420844.db2.gz JXUWFWVMBVMWGO-ZDUSSCGKSA-N 0 1 244.294 2.236 20 0 BEADMN C[C@@H]1C[C@H](F)CN1C[C@@H](O)c1ccccc1 ZINC001251983928 968423098 /nfs/dbraw/zinc/42/30/98/968423098.db2.gz UQUZTEJIJPUBHG-KGYLQXTDSA-N 0 1 223.291 2.152 20 0 BEADMN CC[C@H](C)N(C)Cc1ncccc1OC ZINC001206618657 968423341 /nfs/dbraw/zinc/42/33/41/968423341.db2.gz CGVNPEJJNQOOQZ-JTQLQIEISA-N 0 1 208.305 2.321 20 0 BEADMN C[C@@H]1C[C@H](F)CN1C[C@H](O)c1ccccc1 ZINC001251983931 968423439 /nfs/dbraw/zinc/42/34/39/968423439.db2.gz UQUZTEJIJPUBHG-WXHSDQCUSA-N 0 1 223.291 2.152 20 0 BEADMN COc1cccnc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001206636924 968426471 /nfs/dbraw/zinc/42/64/71/968426471.db2.gz JAQXDUZLVSBGEN-GARJFASQSA-N 0 1 236.290 2.023 20 0 BEADMN COc1cccnc1CN1CCC[C@@H](CF)C1 ZINC001206644214 968429571 /nfs/dbraw/zinc/42/95/71/968429571.db2.gz JSKDMQIHNAEYRB-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN COc1cc(-c2cc(F)c(O)cc2F)ncn1 ZINC001206748428 968454297 /nfs/dbraw/zinc/45/42/97/968454297.db2.gz IRTDXJLWJRVWCR-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Oc1cc(F)c(-c2nccc3n[nH]nc32)cc1F ZINC001206748663 968454375 /nfs/dbraw/zinc/45/43/75/968454375.db2.gz LVWXOXWQKIOGSS-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN C[C@@]1(CF)CCN(Cc2ccncc2F)C1 ZINC001206784010 968454824 /nfs/dbraw/zinc/45/48/24/968454824.db2.gz XGZSPNHJZHKOAS-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@]1(CF)CCN(Cc2ccncc2F)C1 ZINC001206784009 968468336 /nfs/dbraw/zinc/46/83/36/968468336.db2.gz XGZSPNHJZHKOAS-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN COc1cc(C)ccc1CN1CC([C@@H](C)OC)C1 ZINC001206783234 968469318 /nfs/dbraw/zinc/46/93/18/968469318.db2.gz XWKLQFBCDGVFAK-GFCCVEGCSA-N 0 1 249.354 2.470 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccncc3F)C[C@@H]12 ZINC001206790670 968473002 /nfs/dbraw/zinc/47/30/02/968473002.db2.gz WYZMUZHXMXMYTJ-CMPLNLGQSA-N 0 1 248.301 2.022 20 0 BEADMN CCCC[C@H](O)C[N@@H+](CC)Cc1ccncc1 ZINC001252075859 968492271 /nfs/dbraw/zinc/49/22/71/968492271.db2.gz DAFYTUIYPXKOSD-AWEZNQCLSA-N 0 1 236.359 2.455 20 0 BEADMN CCN(CCn1cccn1)Cc1cc(C)ccn1 ZINC001206853516 968500511 /nfs/dbraw/zinc/50/05/11/968500511.db2.gz YFTIXEIPHKNGPP-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN CCCC[C@H](O)CNc1cc(SC)n[nH]1 ZINC001252083362 968504926 /nfs/dbraw/zinc/50/49/26/968504926.db2.gz XBCNNKBWNBTZNO-QMMMGPOBSA-N 0 1 229.349 2.095 20 0 BEADMN CN(CCc1cccnc1)Cc1cncc(F)c1 ZINC001207024358 968556761 /nfs/dbraw/zinc/55/67/61/968556761.db2.gz OYIFQGSNGOFNSR-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN C[C@H]1CCCN(Cc2ncccc2F)C1 ZINC001207026215 968560796 /nfs/dbraw/zinc/56/07/96/968560796.db2.gz FDIFNILAOUDMBG-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN Cc1cscc1C(=O)NCc1n[nH]c(C)c1C ZINC000716185503 968566025 /nfs/dbraw/zinc/56/60/25/968566025.db2.gz JAYGPPAUHBCHAM-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN C[C@H]1CCN(Cc2ncc3ccccn32)C1 ZINC001207047872 968582205 /nfs/dbraw/zinc/58/22/05/968582205.db2.gz CIYCXTBWZNPGOB-NSHDSACASA-N 0 1 215.300 2.176 20 0 BEADMN Cc1ncc(CN2CC3(C2)CCOCC3)s1 ZINC001207060858 968591776 /nfs/dbraw/zinc/59/17/76/968591776.db2.gz WQBPESAAXHTBSW-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1ncc(CN2CCC[C@]3(CCO3)C2)s1 ZINC001207061999 968592791 /nfs/dbraw/zinc/59/27/91/968592791.db2.gz TYPWZWWYFMIYOT-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cnc(NCc2nccn2C)cc1C ZINC001154617859 968593975 /nfs/dbraw/zinc/59/39/75/968593975.db2.gz UXQOJIUNYQRNFL-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN CN(Cc1ccccc1)Cc1cccc(=O)[nH]1 ZINC001207064267 968595945 /nfs/dbraw/zinc/59/59/45/968595945.db2.gz OUHAHMCXZJKVGC-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN CC1(F)CCN(Cc2cccc(=O)[nH]2)CC1 ZINC001207065442 968596409 /nfs/dbraw/zinc/59/64/09/968596409.db2.gz PXTXXCRZHRDNFL-UHFFFAOYSA-N 0 1 224.279 2.111 20 0 BEADMN CC(C)=Cc1ccc(C(=O)N2CCNCC2)cc1 ZINC001240638497 968600001 /nfs/dbraw/zinc/60/00/01/968600001.db2.gz FKGWBLQAQFZISM-UHFFFAOYSA-N 0 1 244.338 2.155 20 0 BEADMN O=c1cccc(CN2CCC[C@H](C(F)F)C2)[nH]1 ZINC001207070752 968599803 /nfs/dbraw/zinc/59/98/03/968599803.db2.gz FBLJKTSLXYWEFV-VIFPVBQESA-N 0 1 242.269 2.264 20 0 BEADMN CCCC[C@@H](O)CNCc1cn(C(C)C)cn1 ZINC001252116749 968602697 /nfs/dbraw/zinc/60/26/97/968602697.db2.gz QQKSKYLXZKRCHO-CYBMUJFWSA-N 0 1 239.363 2.105 20 0 BEADMN COc1ccc2c(ccnc2NCC2COC2)c1 ZINC001154634073 968612240 /nfs/dbraw/zinc/61/22/40/968612240.db2.gz IZCZQJMBJLZGCC-UHFFFAOYSA-N 0 1 244.294 2.302 20 0 BEADMN CCc1nccc(CN2CCCCC2)n1 ZINC001207082475 968613050 /nfs/dbraw/zinc/61/30/50/968613050.db2.gz LTJXVNRIVNBSKD-UHFFFAOYSA-N 0 1 205.305 2.025 20 0 BEADMN Cc1cnc(C[N@@H+](C)CC2CC(F)(F)C2)cn1 ZINC001207079108 968614138 /nfs/dbraw/zinc/61/41/38/968614138.db2.gz RMVRCYQKKIBVHJ-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2ncco2)cn1 ZINC000825191329 968633425 /nfs/dbraw/zinc/63/34/25/968633425.db2.gz ZHBOZHWAGQDCMV-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN CCn1nccc1-c1cccc2cncn21 ZINC001240707636 968650673 /nfs/dbraw/zinc/65/06/73/968650673.db2.gz YBWAUYFOGIIPSW-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN CCn1ccnc1CN1C[C@@H](C)CC12CC2 ZINC001207146958 968655788 /nfs/dbraw/zinc/65/57/88/968655788.db2.gz RTNKBDRSOLMHQK-NSHDSACASA-N 0 1 219.332 2.277 20 0 BEADMN Cc1cncc(CN2CCc3cnccc3C2)c1 ZINC001207154314 968662380 /nfs/dbraw/zinc/66/23/80/968662380.db2.gz RRHNLYAZAHBDAV-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cc1nccc(CN2CCC[C@@H](C(F)F)C2)n1 ZINC001207166427 968676930 /nfs/dbraw/zinc/67/69/30/968676930.db2.gz OJLLLYGHJKVSTQ-SNVBAGLBSA-N 0 1 241.285 2.262 20 0 BEADMN CCCN(CCOC)Cc1ccnn1C(C)C ZINC001207170043 968680960 /nfs/dbraw/zinc/68/09/60/968680960.db2.gz QRFQMVAHAGJCFR-UHFFFAOYSA-N 0 1 239.363 2.322 20 0 BEADMN CCN(C)c1cc(C)nc(NC2CC(F)C2)n1 ZINC001154832247 968685446 /nfs/dbraw/zinc/68/54/46/968685446.db2.gz YGYYLZKOTPHGGE-UHFFFAOYSA-N 0 1 238.310 2.154 20 0 BEADMN CCSC[C@@H](C)NCc1cc(C)on1 ZINC000720389955 968712585 /nfs/dbraw/zinc/71/25/85/968712585.db2.gz KHZGCQXEZOQOMO-MRVPVSSYSA-N 0 1 214.334 2.214 20 0 BEADMN CN(Cc1ccon1)C[C@@H]1CCOC(C)(C)C1 ZINC001207364498 968740561 /nfs/dbraw/zinc/74/05/61/968740561.db2.gz XOXHRCHXOGWGQO-LLVKDONJSA-N 0 1 238.331 2.312 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)n(C)n1 ZINC001240858562 968772715 /nfs/dbraw/zinc/77/27/15/968772715.db2.gz PRJOBLMLFZKFJJ-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@H]1CCCOC1)C2 ZINC001207471827 968795520 /nfs/dbraw/zinc/79/55/20/968795520.db2.gz UVHPXEOTYGHAJH-GFCCVEGCSA-N 0 1 232.327 2.132 20 0 BEADMN Cc1ccc(F)cc1-c1ncnc2c1CNC2 ZINC001240916725 968806227 /nfs/dbraw/zinc/80/62/27/968806227.db2.gz KGUHTPOBBDSVOG-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CN(CCc1ccccc1F)C1(C)COC1 ZINC001207505012 968806483 /nfs/dbraw/zinc/80/64/83/968806483.db2.gz RWCKPSULOZMFCS-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN Fc1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001207510559 968811684 /nfs/dbraw/zinc/81/16/84/968811684.db2.gz FLTLFVDCLXVSTF-OKILXGFUSA-N 0 1 235.302 2.231 20 0 BEADMN Fc1ccc(CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001207510559 968811687 /nfs/dbraw/zinc/81/16/87/968811687.db2.gz FLTLFVDCLXVSTF-OKILXGFUSA-N 0 1 235.302 2.231 20 0 BEADMN Fc1cccc(CCCN2C[C@@H]3C[C@H]2CO3)c1 ZINC001207604830 968826810 /nfs/dbraw/zinc/82/68/10/968826810.db2.gz CHSYAANUVWNSDL-KBPBESRZSA-N 0 1 235.302 2.231 20 0 BEADMN C[NH+]1CC2(CN(CCCc3cccc(F)c3)C2)C1 ZINC001207606268 968829982 /nfs/dbraw/zinc/82/99/82/968829982.db2.gz GKRNFGQYUUMSSY-UHFFFAOYSA-N 0 1 248.345 2.006 20 0 BEADMN CN(Cc1ncccn1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207615851 968833878 /nfs/dbraw/zinc/83/38/78/968833878.db2.gz MHAUWHQHNWIRSL-YNEHKIRRSA-N 0 1 229.327 2.121 20 0 BEADMN C(C1CCSCC1)N1CC2(C1)CCCCO2 ZINC001207696698 968865326 /nfs/dbraw/zinc/86/53/26/968865326.db2.gz LOTKSLFNUPGSFG-UHFFFAOYSA-N 0 1 241.400 2.385 20 0 BEADMN Cc1cccc2c1CN(C[C@H]1CCCO1)C2 ZINC001207846213 968892911 /nfs/dbraw/zinc/89/29/11/968892911.db2.gz BEVCRJNUZDMYKR-CYBMUJFWSA-N 0 1 217.312 2.490 20 0 BEADMN O[C@@H]1CCN(CC2(c3ccccc3)CC2)C[C@@H]1F ZINC001207832912 968896197 /nfs/dbraw/zinc/89/61/97/968896197.db2.gz GECWDBFBTQYHRS-UONOGXRCSA-N 0 1 249.329 2.123 20 0 BEADMN Cc1cccc2c1CN(C[C@H](O)COC(C)C)C2 ZINC001252672204 968906111 /nfs/dbraw/zinc/90/61/11/968906111.db2.gz GBINFRKVRTVZQS-AWEZNQCLSA-N 0 1 249.354 2.097 20 0 BEADMN C[C@@H](CN1C[C@@H]2C[C@H]1CO2)c1ccccc1 ZINC001207909908 968922059 /nfs/dbraw/zinc/92/20/59/968922059.db2.gz GIAXZPNYWFPJQX-UBHSHLNASA-N 0 1 217.312 2.263 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@@H]2C)[nH]1 ZINC001252711945 968926757 /nfs/dbraw/zinc/92/67/57/968926757.db2.gz DWNCTRNUVUYHBA-UWVGGRQHSA-N 0 1 235.331 2.404 20 0 BEADMN CCC[C@H](O)CNc1cc(C)nc(OCC)c1 ZINC001252774974 968945543 /nfs/dbraw/zinc/94/55/43/968945543.db2.gz CDKUTNDASHMIQR-LBPRGKRZSA-N 0 1 238.331 2.362 20 0 BEADMN c1cc2c(cn1)CCN(C[C@@H]1CCCCO1)C2 ZINC001207950907 968948408 /nfs/dbraw/zinc/94/84/08/968948408.db2.gz XJJFSWDSUHBBFD-AWEZNQCLSA-N 0 1 232.327 2.009 20 0 BEADMN C[C@]1(F)CCN(C[C@H]2CCCCO2)C[C@@H]1F ZINC001207954352 968948767 /nfs/dbraw/zinc/94/87/67/968948767.db2.gz NURBGSKONBMTIF-WOPDTQHZSA-N 0 1 233.302 2.328 20 0 BEADMN CC/C=C\CCCN1CC[C@@](F)(C(=O)OC)C1 ZINC001208131649 969027608 /nfs/dbraw/zinc/02/76/08/969027608.db2.gz MQIWMDNEOISXMB-ZFDPJTLLSA-N 0 1 243.322 2.320 20 0 BEADMN CC/C=C\CCCN1CCOC[C@H]1COC ZINC001208137665 969050563 /nfs/dbraw/zinc/05/05/63/969050563.db2.gz IWKCONRMUCMFEH-DSYXLKISSA-N 0 1 227.348 2.080 20 0 BEADMN CS[C@@H](C)CCN1CCC(=O)[C@@H](F)CC1 ZINC001208140236 969056555 /nfs/dbraw/zinc/05/65/55/969056555.db2.gz YSSOTNYIDSVGIQ-UWVGGRQHSA-N 0 1 233.352 2.131 20 0 BEADMN CN1CCC=C(c2cccc3nsnc32)C1 ZINC001241570361 969063376 /nfs/dbraw/zinc/06/33/76/969063376.db2.gz IQYXWSRXQRQZLO-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1cnccn1 ZINC001208148462 969069850 /nfs/dbraw/zinc/06/98/50/969069850.db2.gz UAHSKHDTXBSHTE-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN CS[C@@H](C)CCN1CCC(=O)C(C)(C)C1 ZINC001208147892 969069956 /nfs/dbraw/zinc/06/99/56/969069956.db2.gz POPNEXPAUYVTKZ-JTQLQIEISA-N 0 1 229.389 2.429 20 0 BEADMN COc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241679903 969084732 /nfs/dbraw/zinc/08/47/32/969084732.db2.gz CGOVRUPDHXDWEY-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC1=C[C@@H](C)[C@H](CN2CC3(CCO3)C2)CC1 ZINC001208183109 969114788 /nfs/dbraw/zinc/11/47/88/969114788.db2.gz XDUBEQNQSMEINE-OLZOCXBDSA-N 0 1 221.344 2.454 20 0 BEADMN Fc1ccc(-c2cccc3[nH]nnc32)nc1 ZINC001241808662 969121111 /nfs/dbraw/zinc/12/11/11/969121111.db2.gz SGIHLUAYRQLZMM-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1ccnc(NCc2c(C)nn(C)c2C)c1 ZINC000089805714 969145664 /nfs/dbraw/zinc/14/56/64/969145664.db2.gz PUSHUDRSXFTXND-UHFFFAOYSA-N 0 1 246.314 2.053 20 0 BEADMN C=Cc1cccc(-c2ncc3c(n2)CNC3)c1 ZINC001241941505 969148392 /nfs/dbraw/zinc/14/83/92/969148392.db2.gz DRNYYEBJDRVLNV-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN C[C@@H]1c2sccc2CC[N@@H+]1CCC(=O)[O-] ZINC000712331604 969182920 /nfs/dbraw/zinc/18/29/20/969182920.db2.gz SRBIUUZUSPZHIH-MRVPVSSYSA-N 0 1 225.313 2.142 20 0 BEADMN C[C@H]1c2sccc2CC[N@@H+]1CCC(=O)[O-] ZINC000712331607 969183825 /nfs/dbraw/zinc/18/38/25/969183825.db2.gz SRBIUUZUSPZHIH-QMMMGPOBSA-N 0 1 225.313 2.142 20 0 BEADMN c1nc(CNc2ccc3c(n2)CCCC3)c[nH]1 ZINC000712332217 969185040 /nfs/dbraw/zinc/18/50/40/969185040.db2.gz BPQGZZRYEOSYAZ-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN COc1ccncc1-c1cncc2nc(C)[nH]c21 ZINC001242060442 969191108 /nfs/dbraw/zinc/19/11/08/969191108.db2.gz JQJYQQQXMPCNSF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccncc1-c1c[nH]cc2nc(C)nc1-2 ZINC001242060442 969191112 /nfs/dbraw/zinc/19/11/12/969191112.db2.gz JQJYQQQXMPCNSF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN F[C@@H]1CN(CCC2CC2)CCC1(F)F ZINC001208679154 969193362 /nfs/dbraw/zinc/19/33/62/969193362.db2.gz LPTROCNWDHUWIF-SECBINFHSA-N 0 1 207.239 2.466 20 0 BEADMN Cn1ccc2c1ccnc2C1=CCOCC1 ZINC001242072096 969196588 /nfs/dbraw/zinc/19/65/88/969196588.db2.gz BZYJGACQUJXDJI-UHFFFAOYSA-N 0 1 214.268 2.377 20 0 BEADMN C[C@@H](CN1CCO[C@H](C)C1)OCc1ccccc1 ZINC001208701503 969199013 /nfs/dbraw/zinc/19/90/13/969199013.db2.gz UHMTVRNUOHFWHM-KGLIPLIRSA-N 0 1 249.354 2.312 20 0 BEADMN C[C@@H](CN1CCOC[C@H]1C)OCc1ccccc1 ZINC001208698661 969199384 /nfs/dbraw/zinc/19/93/84/969199384.db2.gz LILVSVGLUCQGCO-KGLIPLIRSA-N 0 1 249.354 2.312 20 0 BEADMN CCCCC[C@@H](O)CN1CCCC[C@H]1C(C)=O ZINC001253539739 969212089 /nfs/dbraw/zinc/21/20/89/969212089.db2.gz ZDNJYPIKCNABRL-KGLIPLIRSA-N 0 1 241.375 2.371 20 0 BEADMN CCCCC[C@H](O)CN1CCc2cccnc2C1 ZINC001253538630 969212883 /nfs/dbraw/zinc/21/28/83/969212883.db2.gz RNBVNARGNCDSHR-AWEZNQCLSA-N 0 1 248.370 2.381 20 0 BEADMN CCCCC[C@@H](O)CN1CCOC[C@H]1CC ZINC001253536654 969215232 /nfs/dbraw/zinc/21/52/32/969215232.db2.gz UAJKMSFHYBMDBH-CHWSQXEVSA-N 0 1 229.364 2.038 20 0 BEADMN Cc1cc(N=C2CCN(C)CC2)sn1 ZINC001208741534 969230907 /nfs/dbraw/zinc/23/09/07/969230907.db2.gz KQJWBRVVNOZUBL-UHFFFAOYSA-N 0 1 209.318 2.083 20 0 BEADMN CCOc1ccc(NC2=CC[N@@H+](C)CC2)cn1 ZINC001208742311 969234736 /nfs/dbraw/zinc/23/47/36/969234736.db2.gz VFPMXJKCNGSFIA-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN CC(C)Oc1ncccc1CCN1CC=CC1 ZINC001208787660 969237875 /nfs/dbraw/zinc/23/78/75/969237875.db2.gz DWFVNOYTYJYVRW-UHFFFAOYSA-N 0 1 232.327 2.283 20 0 BEADMN CN1CC=C(Nc2ccc3c(c2)C(=O)CC3)CC1 ZINC001208838527 969248977 /nfs/dbraw/zinc/24/89/77/969248977.db2.gz PZAJBGOXSADUMT-UHFFFAOYSA-N 0 1 242.322 2.447 20 0 BEADMN FC1(F)CC2(CN(C[C@H]3CCC=CO3)C2)C1 ZINC001208873686 969261658 /nfs/dbraw/zinc/26/16/58/969261658.db2.gz JOHORXRYHVSUFM-SNVBAGLBSA-N 0 1 229.270 2.410 20 0 BEADMN c1cnc([C@H]2CCCN2C[C@H]2CCC=CO2)cn1 ZINC001208881620 969271287 /nfs/dbraw/zinc/27/12/87/969271287.db2.gz YMVKDBBBOBUKGN-TZMCWYRMSA-N 0 1 245.326 2.306 20 0 BEADMN CCOC(C)(C)CN1CCC(=O)C(C)(C)C1 ZINC001209071736 969347609 /nfs/dbraw/zinc/34/76/09/969347609.db2.gz DXIFKSAHYDQZNV-UHFFFAOYSA-N 0 1 227.348 2.103 20 0 BEADMN CC(C)(C)[C@H](O)CNc1ccc2nc[nH]c2c1 ZINC001253732742 969354845 /nfs/dbraw/zinc/35/48/45/969354845.db2.gz DYIVCMBYIUQQQJ-GFCCVEGCSA-N 0 1 233.315 2.382 20 0 BEADMN Cc1ccc(F)c(CNC[C@@H](O)C(C)(C)C)n1 ZINC001253743234 969362091 /nfs/dbraw/zinc/36/20/91/969362091.db2.gz PNLJMYUETHCMMA-GFCCVEGCSA-N 0 1 240.322 2.026 20 0 BEADMN CC(=O)[C@@H]1CCCN1CCCc1cccnc1 ZINC001209181123 969371343 /nfs/dbraw/zinc/37/13/43/969371343.db2.gz NRUAVUHTCJFKQI-AWEZNQCLSA-N 0 1 232.327 2.068 20 0 BEADMN c1ccc(OCCN2CC3(CSC3)C2)cc1 ZINC001209300107 969431076 /nfs/dbraw/zinc/43/10/76/969431076.db2.gz NPUVMFOOQIUQQP-UHFFFAOYSA-N 0 1 235.352 2.114 20 0 BEADMN c1ncn2c1cccc2-c1nnc(C2CC2)o1 ZINC001254060639 969467821 /nfs/dbraw/zinc/46/78/21/969467821.db2.gz ZWAREHUFJHMFGE-UHFFFAOYSA-N 0 1 226.239 2.262 20 0 BEADMN C1CC1c1nnc(C23CCCN2CCC3)o1 ZINC001254087876 969485963 /nfs/dbraw/zinc/48/59/63/969485963.db2.gz ZXMRTPWURRWITK-UHFFFAOYSA-N 0 1 219.288 2.032 20 0 BEADMN C(C1CC1)N1CCC[C@H]1c1nnc(C2CC2)o1 ZINC001254087425 969486467 /nfs/dbraw/zinc/48/64/67/969486467.db2.gz HNOVPENLPRPUOO-NSHDSACASA-N 0 1 233.315 2.494 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@@H]1C[C@H]1C)C2 ZINC001209422635 969486619 /nfs/dbraw/zinc/48/66/19/969486619.db2.gz XFPWKMDZNXOMGE-KOLCDFICSA-N 0 1 202.301 2.362 20 0 BEADMN CN(Cc1ccc2cc[nH]c2c1)C1(C)COC1 ZINC001209514712 969532371 /nfs/dbraw/zinc/53/23/71/969532371.db2.gz NZMFKOUMQJIRTB-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN COC(=O)[C@@H]1CCCN1C1CCC(F)(F)CC1 ZINC001254211461 969536922 /nfs/dbraw/zinc/53/69/22/969536922.db2.gz TWIYVCUJBWCVAH-JTQLQIEISA-N 0 1 247.285 2.202 20 0 BEADMN COc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccn1 ZINC001209639341 969569236 /nfs/dbraw/zinc/56/92/36/969569236.db2.gz OFZDXZHKWVOTST-SDDRHHMPSA-N 0 1 236.290 2.023 20 0 BEADMN c1csc([C@H]2CCCN2[C@H]2CCCOC2)n1 ZINC001254382835 969598967 /nfs/dbraw/zinc/59/89/67/969598967.db2.gz QLYHSHYSEAIFRH-WDEREUQCSA-N 0 1 238.356 2.459 20 0 BEADMN c1csc([C@@H]2CCCN2[C@@H]2CCCOC2)n1 ZINC001254382832 969599719 /nfs/dbraw/zinc/59/97/19/969599719.db2.gz QLYHSHYSEAIFRH-MNOVXSKESA-N 0 1 238.356 2.459 20 0 BEADMN FC1CC2(C1)CCN(Cc1cnccn1)CC2 ZINC001209782391 969615654 /nfs/dbraw/zinc/61/56/54/969615654.db2.gz OHDVJIJXZUSKOE-UHFFFAOYSA-N 0 1 235.306 2.191 20 0 BEADMN c1cnc(CN2CCCC3(CCC3)C2)cn1 ZINC001209788412 969619812 /nfs/dbraw/zinc/61/98/12/969619812.db2.gz NVSDAQPCBOFOAB-UHFFFAOYSA-N 0 1 217.316 2.243 20 0 BEADMN CNC(C)(C)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001206010641 969621208 /nfs/dbraw/zinc/62/12/08/969621208.db2.gz QAUGYBSWCDKFKJ-UHFFFAOYSA-N 0 1 246.314 2.203 20 0 BEADMN c1cc(Nc2ccc3c(c2)NCCO3)ccn1 ZINC001209792066 969625198 /nfs/dbraw/zinc/62/51/98/969625198.db2.gz JLJKCFGCUBMPJN-UHFFFAOYSA-N 0 1 227.267 2.051 20 0 BEADMN COC(=O)CN(C)C1CCc2ccccc2CC1 ZINC001254462507 969648983 /nfs/dbraw/zinc/64/89/83/969648983.db2.gz BRFWAGYYXUFZHO-UHFFFAOYSA-N 0 1 247.338 2.039 20 0 BEADMN c1coc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209843063 969651398 /nfs/dbraw/zinc/65/13/98/969651398.db2.gz UVOVBQKWZVRYGF-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN O=c1ccc(Nc2ccc3nc[nH]c3c2)c[nH]1 ZINC001209842966 969655006 /nfs/dbraw/zinc/65/50/06/969655006.db2.gz SFAWFYTXUIALDX-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN OCc1ccc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209848885 969664924 /nfs/dbraw/zinc/66/49/24/969664924.db2.gz SMAMXCJEHAXDSD-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1ccnnc1Nc1ccc2nc[nH]c2c1 ZINC001209848670 969665243 /nfs/dbraw/zinc/66/52/43/969665243.db2.gz PXQNZHINXFDZGA-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1ncccc1Nc1cnc(N)cc1C ZINC001209961640 969720843 /nfs/dbraw/zinc/72/08/43/969720843.db2.gz LWGIWRLHRDBQQG-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN Cc1cc(N)ncc1Nc1nc(F)ccc1F ZINC001209967064 969730893 /nfs/dbraw/zinc/73/08/93/969730893.db2.gz MNJKGKHPEUVBDF-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN Cc1cc(N)ncc1Nc1cscn1 ZINC001209965686 969732250 /nfs/dbraw/zinc/73/22/50/969732250.db2.gz ZLLIVCBPHISVGK-UHFFFAOYSA-N 0 1 206.274 2.172 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(C)c(C)n1 ZINC001209965608 969732697 /nfs/dbraw/zinc/73/26/97/969732697.db2.gz WJPLZZDFTKRCHG-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN Cc1cc(N)ncc1Nc1cccnc1F ZINC001209966602 969733334 /nfs/dbraw/zinc/73/33/34/969733334.db2.gz BFFCCMSZGBXPGW-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(CO)cc1F ZINC001209967691 969734634 /nfs/dbraw/zinc/73/46/34/969734634.db2.gz QJGBTABNXXCXKF-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN COc1ccc(Nc2cnc(N)cc2C)c(O)c1 ZINC001209969250 969734941 /nfs/dbraw/zinc/73/49/41/969734941.db2.gz JKJWGBLUJIBMPC-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(CO)c1F ZINC001209969178 969735383 /nfs/dbraw/zinc/73/53/83/969735383.db2.gz HBTDHQLKBDMBAA-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN COc1cc(Nc2cnc(N)cc2C)c(F)cn1 ZINC001209967883 969735792 /nfs/dbraw/zinc/73/57/92/969735792.db2.gz UHYULUPRIJTUPU-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN Cc1cc(N)ncc1Nc1ncccc1N(C)C ZINC001209968171 969736062 /nfs/dbraw/zinc/73/60/62/969736062.db2.gz WLXKQXCVYDPVNP-UHFFFAOYSA-N 0 1 243.314 2.177 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(F)c1CO ZINC001209969018 969736271 /nfs/dbraw/zinc/73/62/71/969736271.db2.gz IDURKUWORVVPIG-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN OCc1cc(Nc2ccc(F)cc2O)ccn1 ZINC001210015927 969760269 /nfs/dbraw/zinc/76/02/69/969760269.db2.gz CQXIENVHAYHFOZ-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN Cc1c(C(=O)OCC(C)C)ccc2cncn21 ZINC001254801034 969791409 /nfs/dbraw/zinc/79/14/09/969791409.db2.gz YOFJMTLESRBCQF-UHFFFAOYSA-N 0 1 232.283 2.456 20 0 BEADMN Cc1ncn(-c2cnccc2C(F)(F)F)c1N ZINC001210092964 969794851 /nfs/dbraw/zinc/79/48/51/969794851.db2.gz GLVTUCCBYRFJQK-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN FC1(F)CCC[C@@H]1N[C@@H]1CC2CCN(CC2)C1 ZINC001254849151 969805326 /nfs/dbraw/zinc/80/53/26/969805326.db2.gz RILPATTXGDZUSW-NEPJUHHUSA-N 0 1 244.329 2.248 20 0 BEADMN CC(C)CNCc1nc(-c2ccco2)no1 ZINC000062743572 969839507 /nfs/dbraw/zinc/83/95/07/969839507.db2.gz DTWITKNAIZWCKY-UHFFFAOYSA-N 0 1 221.260 2.075 20 0 BEADMN Cc1coc(CNC2Cc3ccccc3C2)n1 ZINC001255011073 969844601 /nfs/dbraw/zinc/84/46/01/969844601.db2.gz YQMURBYPUXPUDP-UHFFFAOYSA-N 0 1 228.295 2.240 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccnc2)c(C)nn1 ZINC000720569596 969845082 /nfs/dbraw/zinc/84/50/82/969845082.db2.gz KOLLQEPFUYJTCL-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN c1ccc2c(c1)CC(N1CC3(C1)CCCO3)C2 ZINC001255020923 969850222 /nfs/dbraw/zinc/85/02/22/969850222.db2.gz FKOUQGMNRNOHSL-UHFFFAOYSA-N 0 1 229.323 2.019 20 0 BEADMN CCCOC1CN(C2Cc3ccccc3C2)C1 ZINC001255026715 969854039 /nfs/dbraw/zinc/85/40/39/969854039.db2.gz AYDMPZBJXHHDRG-UHFFFAOYSA-N 0 1 231.339 2.265 20 0 BEADMN Cc1cc([C@@H]2CCC[N@H+]2C2CCOCC2)no1 ZINC001255039134 969862025 /nfs/dbraw/zinc/86/20/25/969862025.db2.gz UOMFCJMHHMILBS-ZDUSSCGKSA-N 0 1 236.315 2.299 20 0 BEADMN c1nc2c(nccc2NCCc2cncs2)[nH]1 ZINC001169867007 969877820 /nfs/dbraw/zinc/87/78/20/969877820.db2.gz XWLBXUOKWOVJAL-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN c1ncc(CCNc2cccc3[nH]nnc32)s1 ZINC001169866651 969878591 /nfs/dbraw/zinc/87/85/91/969878591.db2.gz GIDYTFUHRQCFBG-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN CC(C)(C)c1nnc(Nc2cncc(N)c2)o1 ZINC001210435832 969886620 /nfs/dbraw/zinc/88/66/20/969886620.db2.gz MWBHURHVJAABFA-UHFFFAOYSA-N 0 1 233.275 2.088 20 0 BEADMN CCc1ncccc1Nc1ccnc(CO)c1 ZINC001210465159 969894405 /nfs/dbraw/zinc/89/44/05/969894405.db2.gz HXTANOZROKGLIR-UHFFFAOYSA-N 0 1 229.283 2.275 20 0 BEADMN C[C@H](O)c1cccc(Nc2ccnc(CO)c2)c1 ZINC001210505815 969913275 /nfs/dbraw/zinc/91/32/75/969913275.db2.gz HSXTVCCSQRZBDI-JTQLQIEISA-N 0 1 244.294 2.371 20 0 BEADMN CC(C)n1ccc(-c2nccc3[nH]cnc32)n1 ZINC001242450104 969945099 /nfs/dbraw/zinc/94/50/99/969945099.db2.gz ZOXLISGCHMMOIF-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CN(C)c1ccncc1-c1nnc(C2CCC2)o1 ZINC001255237536 970013350 /nfs/dbraw/zinc/01/33/50/970013350.db2.gz FXVXOQNBMUDBQX-UHFFFAOYSA-N 0 1 244.298 2.465 20 0 BEADMN OCc1cc(Nc2cc(O)ccc2F)ccn1 ZINC001210800348 970040867 /nfs/dbraw/zinc/04/08/67/970040867.db2.gz XNZIAUJWMDPHLZ-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN Cc1nc2c(s1)C[N@H+]([C@@H]1CCSC1)CC2 ZINC001255289063 970046752 /nfs/dbraw/zinc/04/67/52/970046752.db2.gz DTRYJMJSKSSVRX-SECBINFHSA-N 0 1 240.397 2.315 20 0 BEADMN Cc1nc2c(s1)CN([C@@H]1CCSC1)CC2 ZINC001255289063 970046758 /nfs/dbraw/zinc/04/67/58/970046758.db2.gz DTRYJMJSKSSVRX-SECBINFHSA-N 0 1 240.397 2.315 20 0 BEADMN Cn1cncc1Nc1cc(F)c(N)c(F)c1 ZINC001210908487 970065028 /nfs/dbraw/zinc/06/50/28/970065028.db2.gz VADHAQARDOAHRF-UHFFFAOYSA-N 0 1 224.214 2.024 20 0 BEADMN CC1(C)CCC(N2CCn3nncc3C2)CC1 ZINC001255307813 970074271 /nfs/dbraw/zinc/07/42/71/970074271.db2.gz HKHULYYOUAWHLX-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN c1cc(NC[C@@H]2COCCN2)cc(C2CCC2)c1 ZINC001170047562 970082783 /nfs/dbraw/zinc/08/27/83/970082783.db2.gz NPMYNSFLFXQKRZ-OAHLLOKOSA-N 0 1 246.354 2.354 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1nccs1 ZINC001210987430 970095761 /nfs/dbraw/zinc/09/57/61/970095761.db2.gz VERCYMGXLDHVEM-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN Cc1ccc2nc(N)n(-c3nccs3)c2c1 ZINC001210986803 970096502 /nfs/dbraw/zinc/09/65/02/970096502.db2.gz DVBDHQBGQLTOKD-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN CCOc1ccnc(N2CCC[C@@H]3C[C@@H]32)c1 ZINC001157135935 970107239 /nfs/dbraw/zinc/10/72/39/970107239.db2.gz YQIULGCVUXJEHD-PWSUYJOCSA-N 0 1 218.300 2.469 20 0 BEADMN CCOc1ccnc(N2CCC[C@H]3C[C@H]32)c1 ZINC001157135933 970108667 /nfs/dbraw/zinc/10/86/67/970108667.db2.gz YQIULGCVUXJEHD-CMPLNLGQSA-N 0 1 218.300 2.469 20 0 BEADMN CN(c1cc([S-])cc(S)c1)C(C)(C)C[NH3+] ZINC001170059864 970114491 /nfs/dbraw/zinc/11/44/91/970114491.db2.gz WCTDETZFDZFQJV-UHFFFAOYSA-N 0 1 242.413 2.438 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(CCCC)CC1 ZINC001112664955 970135783 /nfs/dbraw/zinc/13/57/83/970135783.db2.gz VRNGCFQSZGVWHA-NTUHNPAUSA-N 0 1 238.375 2.287 20 0 BEADMN COC1CCC(NC2(c3ncccn3)CC2)CC1 ZINC001255452198 970183430 /nfs/dbraw/zinc/18/34/30/970183430.db2.gz HMGMQPDGLFOOHU-UHFFFAOYSA-N 0 1 247.342 2.013 20 0 BEADMN CC(C)CCC[C@@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001170078538 970184539 /nfs/dbraw/zinc/18/45/39/970184539.db2.gz UEMWAODVEGHJNN-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN CCCCN1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001112808571 970189559 /nfs/dbraw/zinc/18/95/59/970189559.db2.gz HPEABVCMFAAZPK-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1ccc(F)c(Nc2cncn2C)n1 ZINC001211247345 970193447 /nfs/dbraw/zinc/19/34/47/970193447.db2.gz WHHGYFUGZCXDPK-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cn1cncc1Nc1nccc2cnccc21 ZINC001211246741 970195023 /nfs/dbraw/zinc/19/50/23/970195023.db2.gz OMKKBRFWMQYNCL-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN Cc1c(CO)cccc1-c1cccc2[nH]nnc21 ZINC001243016458 970195323 /nfs/dbraw/zinc/19/53/23/970195323.db2.gz LMVYOJNWSSHPTA-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cn1cncc1Nc1cnnc(Cl)c1Cl ZINC001211247295 970195433 /nfs/dbraw/zinc/19/54/33/970195433.db2.gz SUOADBUCTIMNIY-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN CC(C)CCC[C@H](C)N1CCNC(=O)C1(C)C ZINC001170084379 970197431 /nfs/dbraw/zinc/19/74/31/970197431.db2.gz XLJRYRZYZPHFSN-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN Cn1cncc1Nc1cccc2ccc(=O)[nH]c21 ZINC001211253996 970200876 /nfs/dbraw/zinc/20/08/76/970200876.db2.gz QQBUYKKRXNMMQS-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN Clc1ccc(CN2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000167412530 970203104 /nfs/dbraw/zinc/20/31/04/970203104.db2.gz HUPYUKCKZIPQPU-UWVGGRQHSA-N 0 1 237.734 2.362 20 0 BEADMN COc1cnccc1Nc1cccc2ocnc21 ZINC001211260169 970204511 /nfs/dbraw/zinc/20/45/11/970204511.db2.gz JGWYVBOMAZOJJL-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN COc1cnccc1Nc1ccc([C@H](C)O)cc1 ZINC001211260649 970211357 /nfs/dbraw/zinc/21/13/57/970211357.db2.gz OPLWBKVYKWMNTA-JTQLQIEISA-N 0 1 244.294 2.309 20 0 BEADMN COc1cnccc1Nc1cccc2cnoc21 ZINC001211264696 970211974 /nfs/dbraw/zinc/21/19/74/970211974.db2.gz IZMLENSCVBLTTE-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN COc1cnccc1Nc1ccc(N(C)C)cc1 ZINC001211263055 970213809 /nfs/dbraw/zinc/21/38/09/970213809.db2.gz RPIDRMNSYCULLM-UHFFFAOYSA-N 0 1 243.310 2.322 20 0 BEADMN COc1cnccc1N1CCc2cccc(N)c21 ZINC001211264877 970218753 /nfs/dbraw/zinc/21/87/53/970218753.db2.gz OBWNUNRAOKEPLG-UHFFFAOYSA-N 0 1 241.294 2.367 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2nccnc2Cl)C1 ZINC001170090868 970232481 /nfs/dbraw/zinc/23/24/81/970232481.db2.gz AKZJVTONRFVUCY-RKDXNWHRSA-N 0 1 225.723 2.408 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(CO)c1F ZINC001211432782 970266285 /nfs/dbraw/zinc/26/62/85/970266285.db2.gz BHAQXDKJFVOQLO-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN Cc1ncn(-c2ccc3c(c2)CCCC3=O)c1N ZINC001213103082 970277982 /nfs/dbraw/zinc/27/79/82/970277982.db2.gz KCOAHGYYDGUEGN-UHFFFAOYSA-N 0 1 241.294 2.282 20 0 BEADMN CC1(C)C[C@@H](NC2(c3ncccn3)CC2)CCO1 ZINC001255533038 970294680 /nfs/dbraw/zinc/29/46/80/970294680.db2.gz SAOVXICABRHPGS-NSHDSACASA-N 0 1 247.342 2.013 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C/C(Cl)=C\Cl ZINC000211389540 970310837 /nfs/dbraw/zinc/31/08/37/970310837.db2.gz SLSJJZLAKURZLG-AIVTYHFNSA-N 0 1 238.114 2.100 20 0 BEADMN C[C@H]1CC[C@H](NCc2nccc(Cl)n2)C1 ZINC001170109401 970311640 /nfs/dbraw/zinc/31/16/40/970311640.db2.gz PGAKZBODARIJSY-IUCAKERBSA-N 0 1 225.723 2.408 20 0 BEADMN COC[C@@H](C)N[C@H](c1ncccc1F)C1CC1 ZINC001255565642 970359999 /nfs/dbraw/zinc/35/99/99/970359999.db2.gz VKVBXVPCQJLWTL-SKDRFNHKSA-N 0 1 238.306 2.296 20 0 BEADMN COCc1ccc(C)c(-n2cnc(C)c2N)c1 ZINC001213573683 970360487 /nfs/dbraw/zinc/36/04/87/970360487.db2.gz ATNXARZMMQGPRI-UHFFFAOYSA-N 0 1 231.299 2.218 20 0 BEADMN O=c1ccc2c(Nc3nnco3)cccc2[nH]1 ZINC001213967421 970402838 /nfs/dbraw/zinc/40/28/38/970402838.db2.gz CFVBJQGVJUVMJM-UHFFFAOYSA-N 0 1 228.211 2.067 20 0 BEADMN C[C@@H]1CC[C@H](N2CCn3cccc3C2)C1 ZINC001170144039 970430332 /nfs/dbraw/zinc/43/03/32/970430332.db2.gz BXQGZVVCCLUPPE-NEPJUHHUSA-N 0 1 204.317 2.492 20 0 BEADMN C[C@@H]1COCC[C@H]1Nc1ccc2c(n1)CCC2 ZINC000302440595 970440641 /nfs/dbraw/zinc/44/06/41/970440641.db2.gz UAEMITVBFHFAEL-ZYHUDNBSSA-N 0 1 232.327 2.407 20 0 BEADMN COC[C@@H]1CCN1[C@@H](C)CC(F)(F)F ZINC001255662099 970445889 /nfs/dbraw/zinc/44/58/89/970445889.db2.gz HJGDFWYTNDTXGD-YUMQZZPRSA-N 0 1 211.227 2.048 20 0 BEADMN C[C@@H]1CC[C@H](N2CC(N3CCC(F)(F)C3)C2)C1 ZINC001170151201 970459896 /nfs/dbraw/zinc/45/98/96/970459896.db2.gz FTKRSAICZHHXNC-MNOVXSKESA-N 0 1 244.329 2.200 20 0 BEADMN C[C@@H]1CC[C@@H](N2CC(Oc3cccnc3)C2)C1 ZINC001170153222 970470446 /nfs/dbraw/zinc/47/04/46/970470446.db2.gz OPOYJNTUBIVBEI-VXGBXAGGSA-N 0 1 232.327 2.333 20 0 BEADMN COC1CN([C@H](C)Cc2ccc(C)cc2)C1 ZINC001255786662 970474623 /nfs/dbraw/zinc/47/46/23/970474623.db2.gz YTQWAGVIXQTAKK-GFCCVEGCSA-N 0 1 219.328 2.257 20 0 BEADMN [NH3+]Cc1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243341390 970481196 /nfs/dbraw/zinc/48/11/96/970481196.db2.gz JTCVZPXZRQMDNC-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN Cc1ccc(C[C@@H](C)N2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001255791861 970489913 /nfs/dbraw/zinc/48/99/13/970489913.db2.gz GOYAMUJITQFFLW-YUELXQCFSA-N 0 1 231.339 2.399 20 0 BEADMN Cc1ccc(C[C@@H](C)N2CCC23COC3)cc1 ZINC001255791248 970493336 /nfs/dbraw/zinc/49/33/36/970493336.db2.gz CKQAWTJUFVUENL-CYBMUJFWSA-N 0 1 231.339 2.401 20 0 BEADMN Cc1ncn(-c2ccc(Cl)cc2O)c1N ZINC001214405449 970499989 /nfs/dbraw/zinc/49/99/89/970499989.db2.gz WLJXPEBQCZOECA-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN C[C@@H](Cc1ccccc1F)N[C@@H]1COC[C@@H]1F ZINC001255837012 970510719 /nfs/dbraw/zinc/51/07/19/970510719.db2.gz BHWNBCVEVBQWPC-TVYUQYBPSA-N 0 1 241.281 2.083 20 0 BEADMN C[C@@H](Cc1ccccc1F)N1CC(C)(CO)C1 ZINC001255842123 970510960 /nfs/dbraw/zinc/51/09/60/970510960.db2.gz OLMPJUCUARMYAU-NSHDSACASA-N 0 1 237.318 2.071 20 0 BEADMN C[C@@H](Cc1ccccc1F)N[C@H]1COC[C@@H]1F ZINC001255837014 970512806 /nfs/dbraw/zinc/51/28/06/970512806.db2.gz BHWNBCVEVBQWPC-XDTLVQLUSA-N 0 1 241.281 2.083 20 0 BEADMN CCN([C@H](C)Cc1ccccc1F)C1COC1 ZINC001255850811 970516830 /nfs/dbraw/zinc/51/68/30/970516830.db2.gz IQNOULICWLSLDV-LLVKDONJSA-N 0 1 237.318 2.477 20 0 BEADMN COc1ccc(C)c(F)c1-n1cnc(C)c1N ZINC001214626982 970522203 /nfs/dbraw/zinc/52/22/03/970522203.db2.gz BNCJMYCNGKZVQC-UHFFFAOYSA-N 0 1 235.262 2.219 20 0 BEADMN C[C@H](Cc1ccccc1F)[N@@H+]1CCN2CC[C@H]1C2 ZINC001255853514 970523813 /nfs/dbraw/zinc/52/38/13/970523813.db2.gz KYYAVNKSIFEXOR-OCCSQVGLSA-N 0 1 248.345 2.147 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)N1C=C(N)C=CC1 ZINC001255865793 970526167 /nfs/dbraw/zinc/52/61/67/970526167.db2.gz YDWWANKDPBQOAJ-NSHDSACASA-N 0 1 232.302 2.429 20 0 BEADMN CCN([C@@H](C)Cc1ccc(F)cc1)C1COC1 ZINC001255875692 970536438 /nfs/dbraw/zinc/53/64/38/970536438.db2.gz NGUQMGPMQYXARJ-NSHDSACASA-N 0 1 237.318 2.477 20 0 BEADMN Cc1cc(N)n(-c2ccc(Cl)c(O)c2F)n1 ZINC001214791188 970540012 /nfs/dbraw/zinc/54/00/12/970540012.db2.gz PGUFHLZSXXIBJA-UHFFFAOYSA-N 0 1 241.653 2.261 20 0 BEADMN CCOc1ncc(Nc2ccncc2)cc1C ZINC001214926734 970570028 /nfs/dbraw/zinc/57/00/28/970570028.db2.gz NCJXGRROUIGORU-UHFFFAOYSA-N 0 1 229.283 2.349 20 0 BEADMN CC[C@@H]1C[C@H](N2CC(OC(C)C)C2)CCO1 ZINC001170240458 970619665 /nfs/dbraw/zinc/61/96/65/970619665.db2.gz QKORDSCSCSUMNZ-VXGBXAGGSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1cc(CNCCc2ncc(C)cc2C)no1 ZINC000401131116 970660436 /nfs/dbraw/zinc/66/04/36/970660436.db2.gz SRNKHJVVKNAACO-UHFFFAOYSA-N 0 1 245.326 2.327 20 0 BEADMN COc1cccc(C[C@@H](C)N2CCOC[C@H]2C)c1 ZINC001256159888 970681447 /nfs/dbraw/zinc/68/14/47/970681447.db2.gz KJXRJVUQSSEALD-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1cccc(Cl)n1)[C@@H]1CCCOC1 ZINC000401332993 970682712 /nfs/dbraw/zinc/68/27/12/970682712.db2.gz DCNPOPXVYHJAJF-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@@H](Cc1ccccc1Cl)N1CC(CO)C1 ZINC001170286001 970701749 /nfs/dbraw/zinc/70/17/49/970701749.db2.gz VMIZDAPGNSAXHZ-JTQLQIEISA-N 0 1 239.746 2.195 20 0 BEADMN Oc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000401629609 970710861 /nfs/dbraw/zinc/71/08/61/970710861.db2.gz CLUACTDSAQJVSI-CYBMUJFWSA-N 0 1 243.310 2.283 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccc(CO)nc1 ZINC001243467020 970762488 /nfs/dbraw/zinc/76/24/88/970762488.db2.gz JVZNHXHLSWBPCM-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1c(O)cccc1CN1CC[C@]12CCOC2 ZINC001144122042 972597562 /nfs/dbraw/zinc/59/75/62/972597562.db2.gz SOGOQSWVDLOUOW-CQSZACIVSA-N 0 1 233.311 2.065 20 0 BEADMN CC(C)N(Cc1nnc[nH]1)Cc1ccccc1F ZINC001327511258 972604841 /nfs/dbraw/zinc/60/48/41/972604841.db2.gz GEAITSMVNQDMQV-UHFFFAOYSA-N 0 1 248.305 2.354 20 0 BEADMN COc1ccc(O)cc1-c1cncc2nc[nH]c21 ZINC001222628954 972610859 /nfs/dbraw/zinc/61/08/59/972610859.db2.gz LPZKULPRZMZRAY-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1nc(CSCc2nnc[nH]2)c(C)s1 ZINC001327713445 972710230 /nfs/dbraw/zinc/71/02/30/972710230.db2.gz DHXUCDZDLMELDX-UHFFFAOYSA-N 0 1 240.357 2.311 20 0 BEADMN CCc1[nH]ccc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001327873128 972772992 /nfs/dbraw/zinc/77/29/92/972772992.db2.gz ZDKVQZRMKIIZCT-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN CCc1[nH]ccc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001327873128 972773004 /nfs/dbraw/zinc/77/30/04/972773004.db2.gz ZDKVQZRMKIIZCT-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN C[C@H](COc1ccccc1)OCc1cnc[nH]1 ZINC001223000290 972794722 /nfs/dbraw/zinc/79/47/22/972794722.db2.gz MXRMWSMDKDILBN-LLVKDONJSA-N 0 1 232.283 2.394 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1ccncc1 ZINC001223001226 972799803 /nfs/dbraw/zinc/79/98/03/972799803.db2.gz VWCYKFXSHRILPJ-VIFPVBQESA-N 0 1 203.245 2.083 20 0 BEADMN CCCCC[C@@H](CCC)OCc1nn[nH]n1 ZINC001223027168 972802797 /nfs/dbraw/zinc/80/27/97/972802797.db2.gz MTRKMLDFFDWNMA-SNVBAGLBSA-N 0 1 226.324 2.465 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1nccs1 ZINC001223008429 972805141 /nfs/dbraw/zinc/80/51/41/972805141.db2.gz YTKWZZQYEZKRRU-ZETCQYMHSA-N 0 1 209.274 2.144 20 0 BEADMN C[C@@H](CC1CCCCC1)C(=O)Nc1c[nH]nn1 ZINC001327914270 972806705 /nfs/dbraw/zinc/80/67/05/972806705.db2.gz UMCSUJAUHIVHRS-VIFPVBQESA-N 0 1 236.319 2.350 20 0 BEADMN COc1ccc(CN2CC[C@@](C)(CF)C2)nc1 ZINC001144419623 972810037 /nfs/dbraw/zinc/81/00/37/972810037.db2.gz AQBNBVUPKODSFQ-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN CCCC1CCC(OCc2nn[nH]n2)CC1 ZINC001223029312 972810390 /nfs/dbraw/zinc/81/03/90/972810390.db2.gz JNRUGDBVOOXZSY-UHFFFAOYSA-N 0 1 224.308 2.075 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@H](F)CC2)nc1 ZINC001144419901 972813621 /nfs/dbraw/zinc/81/36/21/972813621.db2.gz NZPMSVMMPRZMAG-NSHDSACASA-N 0 1 238.306 2.414 20 0 BEADMN Cc1cncc(COC2CN(C(C)(C)C)C2)c1 ZINC001223040953 972818647 /nfs/dbraw/zinc/81/86/47/972818647.db2.gz OWRNUPVWDTUXOD-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN COc1ncc(CN2CC[C@@H](C)C2)cc1F ZINC001144454808 972827605 /nfs/dbraw/zinc/82/76/05/972827605.db2.gz KNYLWXCSHSWCNV-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN CC(C)N(C)Cc1ncn2ccccc12 ZINC001144610868 972885346 /nfs/dbraw/zinc/88/53/46/972885346.db2.gz FFLUXXMIPBXCBR-UHFFFAOYSA-N 0 1 203.289 2.175 20 0 BEADMN CCN(Cc1ncn2ccccc12)C1CC1 ZINC001144610879 972886688 /nfs/dbraw/zinc/88/66/88/972886688.db2.gz FHXAXXSGDLNHMV-UHFFFAOYSA-N 0 1 215.300 2.319 20 0 BEADMN CCCN(CCOC)Cc1ncn2ccccc12 ZINC001144611947 972888696 /nfs/dbraw/zinc/88/86/96/972888696.db2.gz XWWDYXVOTIUZOY-UHFFFAOYSA-N 0 1 247.342 2.193 20 0 BEADMN Cc1cc(CCC(=O)NC2CC3(CCC3)C2)n[nH]1 ZINC001144628415 972898029 /nfs/dbraw/zinc/89/80/29/972898029.db2.gz RIUFVHRGZRATAY-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2sccc2C(=O)[O-])C[C@@H]1F ZINC001144664620 972929482 /nfs/dbraw/zinc/92/94/82/972929482.db2.gz LKICSKAHTHEOPH-APPZFPTMSA-N 0 1 243.303 2.236 20 0 BEADMN CO[C@H]1CN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC001144711369 972951148 /nfs/dbraw/zinc/95/11/48/972951148.db2.gz WIWNTZGAFWLZMD-STQMWFEESA-N 0 1 248.301 2.337 20 0 BEADMN CN1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144732235 972972125 /nfs/dbraw/zinc/97/21/25/972972125.db2.gz RAUOAKKEZJCWOT-UHFFFAOYSA-N 0 1 247.367 2.044 20 0 BEADMN F[C@@H]1CCC[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC001328387146 973009594 /nfs/dbraw/zinc/00/95/94/973009594.db2.gz JKNBOBNGEVKNEV-BBBLOLIVSA-N 0 1 239.294 2.490 20 0 BEADMN Cc1cccc([C@@H]2CCN(Cc3nnc[nH]3)C2)c1 ZINC001328392963 973013395 /nfs/dbraw/zinc/01/33/95/973013395.db2.gz CHOVYWVYIXNNLY-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1ccccc1[C@@H](NCc1nnc[nH]1)C1CC1 ZINC001328395171 973020067 /nfs/dbraw/zinc/02/00/67/973020067.db2.gz VWXBQOSOBODPDY-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])cc[nH+]2)CS1 ZINC000397822123 973024597 /nfs/dbraw/zinc/02/45/97/973024597.db2.gz FCWLLMQZXSIGMD-VXNVDRBHSA-N 0 1 238.312 2.086 20 0 BEADMN CON(C(=O)c1ccc(Cl)cc1O)C(C)C ZINC001328597261 973166397 /nfs/dbraw/zinc/16/63/97/973166397.db2.gz XMSZSXWOHPEPTP-UHFFFAOYSA-N 0 1 243.690 2.458 20 0 BEADMN CC(C)OC(=O)CN(CC1CC1)C(C)C ZINC000043447060 973173300 /nfs/dbraw/zinc/17/33/00/973173300.db2.gz RWUITVHCEUVTKD-UHFFFAOYSA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)OC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000043446997 973175158 /nfs/dbraw/zinc/17/51/58/973175158.db2.gz JVIXIVGREGYQGK-PHIMTYICSA-N 0 1 213.321 2.201 20 0 BEADMN Cc1nnc(SCc2ccnc(C)c2)[nH]1 ZINC001328638358 973218258 /nfs/dbraw/zinc/21/82/58/973218258.db2.gz YHAWNYGSJZOIIY-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC[C@@]1(C)CCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000399420541 973219603 /nfs/dbraw/zinc/21/96/03/973219603.db2.gz JUTFQFLAJIKMNG-ZDUSSCGKSA-N 0 1 234.299 2.406 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2occc2C(=O)[O-])[C@H]1C ZINC000399604578 973229554 /nfs/dbraw/zinc/22/95/54/973229554.db2.gz ZVNJIEPHAVONFV-BBBLOLIVSA-N 0 1 237.299 2.454 20 0 BEADMN CC(C)(C)N1CC(NC(=O)C2=CCCCC2)C1 ZINC001146727340 973239111 /nfs/dbraw/zinc/23/91/11/973239111.db2.gz QWGGHEHGQXXBNI-UHFFFAOYSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1nnc(S[C@@H](C)c2ccncc2)[nH]1 ZINC001328654415 973240222 /nfs/dbraw/zinc/24/02/22/973240222.db2.gz VFQBMCXPCNEDML-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)c2ccncc2)n1 ZINC001328654415 973240244 /nfs/dbraw/zinc/24/02/44/973240244.db2.gz VFQBMCXPCNEDML-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1[nH+]c(N2CC[C@@H](C3CC3)C2)ccc1C(=O)[O-] ZINC000400049815 973249569 /nfs/dbraw/zinc/24/95/69/973249569.db2.gz WFPRDHNOZIPXEG-LLVKDONJSA-N 0 1 246.310 2.325 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)[nH]n2)[C@H](CC)CO1 ZINC001328709252 973286746 /nfs/dbraw/zinc/28/67/46/973286746.db2.gz XRSXPSIAXTUCKJ-CHWSQXEVSA-N 0 1 237.347 2.108 20 0 BEADMN CCN(CCSC)Cc1ccnc(F)c1 ZINC001328802995 973351442 /nfs/dbraw/zinc/35/14/42/973351442.db2.gz HWPQLRNXUJJNNQ-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN CN(Cc1cn(C)nc1Cl)C1CCCC1 ZINC001328928157 973393703 /nfs/dbraw/zinc/39/37/03/973393703.db2.gz GZPWABPLBGXCBV-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H]1CC=CCC1 ZINC000402137383 973599550 /nfs/dbraw/zinc/59/95/50/973599550.db2.gz GMWFQOUAKWUKFR-LBPRGKRZSA-N 0 1 225.332 2.385 20 0 BEADMN CN1C[C@H]2C[C@@H](C1)N2c1ccc2[nH]ccc2c1 ZINC001276968850 973622542 /nfs/dbraw/zinc/62/25/42/973622542.db2.gz JMOOFTYPRATOQO-BETUJISGSA-N 0 1 227.311 2.061 20 0 BEADMN CCCC[C@H](CC)OCCN1CCN(C)CC1 ZINC001224552607 973765896 /nfs/dbraw/zinc/76/58/96/973765896.db2.gz QRQFYYIIZJWPTQ-AWEZNQCLSA-N 0 1 242.407 2.219 20 0 BEADMN CCC[C@@H](OCCN1CCN(C)CC1)C(C)C ZINC001224551540 973769999 /nfs/dbraw/zinc/76/99/99/973769999.db2.gz HOMFOYNNSKFEKM-CQSZACIVSA-N 0 1 242.407 2.075 20 0 BEADMN Cc1ccc(-c2noc(CNCC(C)C)n2)o1 ZINC001329434326 973775499 /nfs/dbraw/zinc/77/54/99/973775499.db2.gz YYOHLGYTUHMRAP-UHFFFAOYSA-N 0 1 235.287 2.384 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)OCc1nnc[nH]1 ZINC001329455768 973782266 /nfs/dbraw/zinc/78/22/66/973782266.db2.gz SJNRVVPUNOSUKX-UWVGGRQHSA-N 0 1 237.303 2.064 20 0 BEADMN CN1CCC12CN(c1cnc3ccccc3c1)C2 ZINC001276985340 973797953 /nfs/dbraw/zinc/79/79/53/973797953.db2.gz UNAMBFUWAASAJN-UHFFFAOYSA-N 0 1 239.322 2.129 20 0 BEADMN Cc1coc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC001149024412 973903145 /nfs/dbraw/zinc/90/31/45/973903145.db2.gz AJAHGTUMAFMVNC-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cn1nc(C[N@H+]2CC3CCC2CC3)cc1Cl ZINC001329791889 973937157 /nfs/dbraw/zinc/93/71/57/973937157.db2.gz DWJUGBRXZGLJMY-UHFFFAOYSA-N 0 1 239.750 2.448 20 0 BEADMN Cn1nc(CN2CC3CCC2CC3)cc1Cl ZINC001329791889 973937166 /nfs/dbraw/zinc/93/71/66/973937166.db2.gz DWJUGBRXZGLJMY-UHFFFAOYSA-N 0 1 239.750 2.448 20 0 BEADMN CNCc1nc(-c2cccc(C)c2Cl)no1 ZINC001247432372 973938085 /nfs/dbraw/zinc/93/80/85/973938085.db2.gz YHZKSKDHCLVYFI-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CNCc1nc(-c2cccc(Cl)c2C)no1 ZINC001247432070 973940860 /nfs/dbraw/zinc/94/08/60/973940860.db2.gz RVHOUYOXZLVXRU-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(F)c2C)no1 ZINC001247489645 973963645 /nfs/dbraw/zinc/96/36/45/973963645.db2.gz GKPWVTOACVGXAU-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(F)ccc2F)no1 ZINC001247489422 973964990 /nfs/dbraw/zinc/96/49/90/973964990.db2.gz ABDFBWLVVLZYOF-ZCFIWIBFSA-N 0 1 239.225 2.295 20 0 BEADMN CN(Cc1cn[nH]c1)Cc1cc(C(C)(C)C)[nH]n1 ZINC001329877199 973987285 /nfs/dbraw/zinc/98/72/85/973987285.db2.gz DYBLHWSFDTZVPP-UHFFFAOYSA-N 0 1 247.346 2.062 20 0 BEADMN C[C@H]1c2c(F)cccc2CCN1Cc1nnc[nH]1 ZINC001329878253 973997312 /nfs/dbraw/zinc/99/73/12/973997312.db2.gz PFAMCQCQFGECEX-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2nnc[nH]2)C1 ZINC001329895279 974012711 /nfs/dbraw/zinc/01/27/11/974012711.db2.gz ORFNCQZWFDFLSI-DGCLKSJQSA-N 0 1 242.326 2.388 20 0 BEADMN NC1=CN([C@@H]2CCc3c(F)cccc3C2)CC=C1 ZINC001171411365 974018430 /nfs/dbraw/zinc/01/84/30/974018430.db2.gz HQUCZSPXZZNRDC-CYBMUJFWSA-N 0 1 244.313 2.355 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CCc2c(F)cccc2C1 ZINC001171411732 974019390 /nfs/dbraw/zinc/01/93/90/974019390.db2.gz NAZWFJSYAYPELI-CYBMUJFWSA-N 0 1 249.353 2.168 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H]1CCc2c(F)cccc2C1 ZINC001171411732 974019402 /nfs/dbraw/zinc/01/94/02/974019402.db2.gz NAZWFJSYAYPELI-CYBMUJFWSA-N 0 1 249.353 2.168 20 0 BEADMN Fc1cccc2c1CC[C@H](N1CC3(COC3)C1)C2 ZINC001171423224 974034340 /nfs/dbraw/zinc/03/43/40/974034340.db2.gz YHTLIMBEDWKVPD-LBPRGKRZSA-N 0 1 247.313 2.015 20 0 BEADMN CSc1cc(C)ccc1NCc1nnc[nH]1 ZINC001329964873 974056564 /nfs/dbraw/zinc/05/65/64/974056564.db2.gz OKGSZKBEJMIIOF-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN Cc1ccc(F)cc1-c1noc([C@@H]2C=CCN2)n1 ZINC001248230388 974061080 /nfs/dbraw/zinc/06/10/80/974061080.db2.gz YBUZODIDXVCPEX-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN Cc1cc(Cl)cnc1Nc1nccnc1CN ZINC001171448009 974069186 /nfs/dbraw/zinc/06/91/86/974069186.db2.gz UIUAWGIVNMIKBW-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN NCc1nccnc1Nc1ccc2c(c1)CCC2 ZINC001171448329 974070997 /nfs/dbraw/zinc/07/09/97/974070997.db2.gz ZQZZCQCHWLHAEZ-UHFFFAOYSA-N 0 1 240.310 2.168 20 0 BEADMN NCc1nccnc1Nc1ccc2[nH]ccc2c1 ZINC001171449630 974071986 /nfs/dbraw/zinc/07/19/86/974071986.db2.gz JVDMIIJGGGICEK-UHFFFAOYSA-N 0 1 239.282 2.160 20 0 BEADMN COc1cc(C)cc(NCc2nnc[nH]2)c1C ZINC001330054307 974088227 /nfs/dbraw/zinc/08/82/27/974088227.db2.gz HQQUYUZFXHRIRF-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN Cc1cccc2c1CC[C@H](N1CCO[C@H]3C[C@H]31)C2 ZINC001171573165 974104145 /nfs/dbraw/zinc/10/41/45/974104145.db2.gz HAMNXTRCFIOQMZ-IMJJTQAJSA-N 0 1 243.350 2.325 20 0 BEADMN CC[C@@H](C)[C@@H]([NH2+]Cc1nc(C)cs1)C(=O)[O-] ZINC001330287363 974210884 /nfs/dbraw/zinc/21/08/84/974210884.db2.gz XWTJIWZMJOKYKK-GMSGAONNSA-N 0 1 242.344 2.040 20 0 BEADMN CN1CC[C@H](Oc2c(F)cccc2F)C1 ZINC001225200838 974215582 /nfs/dbraw/zinc/21/55/82/974215582.db2.gz UMHSMNVGQHTWCS-QMMMGPOBSA-N 0 1 213.227 2.048 20 0 BEADMN CCN1CC[C@@H](Oc2c(F)cccc2F)C1 ZINC001225207383 974231079 /nfs/dbraw/zinc/23/10/79/974231079.db2.gz PVPFNLHQCZYWDY-SECBINFHSA-N 0 1 227.254 2.438 20 0 BEADMN Cc1ccccc1C1(NCc2nnc[nH]2)CCC1 ZINC001330565350 974316651 /nfs/dbraw/zinc/31/66/51/974316651.db2.gz KUYYMKHYWXTQMT-UHFFFAOYSA-N 0 1 242.326 2.282 20 0 BEADMN Cc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc1 ZINC001225257358 974318559 /nfs/dbraw/zinc/31/85/59/974318559.db2.gz JLJDHLKDENGDAX-GLQYFDAESA-N 0 1 245.322 2.178 20 0 BEADMN Cc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001225257358 974318571 /nfs/dbraw/zinc/31/85/71/974318571.db2.gz JLJDHLKDENGDAX-GLQYFDAESA-N 0 1 245.322 2.178 20 0 BEADMN CCc1ccc(NCc2nnc[nH]2)cc1C ZINC001330622296 974368259 /nfs/dbraw/zinc/36/82/59/974368259.db2.gz PVABFVZICYFEHC-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[CH]CC=C1)C2 ZINC001172108492 974377422 /nfs/dbraw/zinc/37/74/22/974377422.db2.gz APGNVGBEMHBVAZ-SYQHCUMBSA-N 0 1 219.352 2.124 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[CH]CC=C1)C2 ZINC001172108492 974377425 /nfs/dbraw/zinc/37/74/25/974377425.db2.gz APGNVGBEMHBVAZ-SYQHCUMBSA-N 0 1 219.352 2.124 20 0 BEADMN CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[CH]CC=C1)C2 ZINC001172108492 974377432 /nfs/dbraw/zinc/37/74/32/974377432.db2.gz APGNVGBEMHBVAZ-SYQHCUMBSA-N 0 1 219.352 2.124 20 0 BEADMN CC(C)(C)ONC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001330688478 974413380 /nfs/dbraw/zinc/41/33/80/974413380.db2.gz MZDQIIYDKSXFDH-SNVBAGLBSA-N 0 1 243.347 2.428 20 0 BEADMN FC1(F)CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)O2 ZINC001172220538 974453612 /nfs/dbraw/zinc/45/36/12/974453612.db2.gz MYPGQTHVGILNIE-HUAZRZQGSA-N 0 1 231.286 2.474 20 0 BEADMN CCN1CC[C@H](Oc2c(F)cccc2OC)C1 ZINC001225448147 974497040 /nfs/dbraw/zinc/49/70/40/974497040.db2.gz PGFXJYNMRVWCFE-JTQLQIEISA-N 0 1 239.290 2.307 20 0 BEADMN C[C@@H](C(=O)N[C@@H](C)[C@]12C[C@H]1CCCC2)N(C)C ZINC001330889769 974525621 /nfs/dbraw/zinc/52/56/21/974525621.db2.gz ZHKCTGQTIILKDI-FMSGJZPZSA-N 0 1 238.375 2.022 20 0 BEADMN CN(Cc1ccncc1)[C@H]1COC(C)(C)C1 ZINC001172284574 974546417 /nfs/dbraw/zinc/54/64/17/974546417.db2.gz VHUHGILOVKLRNM-GFCCVEGCSA-N 0 1 220.316 2.081 20 0 BEADMN CC1(C)C[C@H](N2CCC[C@H]2c2cnccn2)CO1 ZINC001172286954 974551852 /nfs/dbraw/zinc/55/18/52/974551852.db2.gz OGIPYHIIAPKIOC-AAEUAGOBSA-N 0 1 247.342 2.181 20 0 BEADMN CC1(C)C[C@@H](N2CC(c3cccnc3)C2)CO1 ZINC001172289194 974553421 /nfs/dbraw/zinc/55/34/21/974553421.db2.gz SXGJMRPVYNZTRK-CYBMUJFWSA-N 0 1 232.327 2.048 20 0 BEADMN C/C(=C\C(=O)NCc1cc(N)ccn1)C(C)(C)C ZINC001331005182 974556301 /nfs/dbraw/zinc/55/63/01/974556301.db2.gz ZJBOAGDOUYCJRB-JXMROGBWSA-N 0 1 247.342 2.272 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCOC[C@@H]1C ZINC001172340849 974608354 /nfs/dbraw/zinc/60/83/54/974608354.db2.gz RKWFAGAESSLDPQ-AVGNSLFASA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1C[C@H]2C[C@@H](C1)O2 ZINC001172354644 974624047 /nfs/dbraw/zinc/62/40/47/974624047.db2.gz SKWYYMNQIXPBSI-XQHKEYJVSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172365442 974642524 /nfs/dbraw/zinc/64/25/24/974642524.db2.gz BTKCOXRQHZQMEJ-ATZCPNFKSA-N 0 1 222.336 2.042 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172367703 974649710 /nfs/dbraw/zinc/64/97/10/974649710.db2.gz MOMAIVJMIQOXBK-YNEHKIRRSA-N 0 1 211.373 2.296 20 0 BEADMN CN1CCC[C@H](Oc2cc(F)ccc2F)C1 ZINC001225901931 974723139 /nfs/dbraw/zinc/72/31/39/974723139.db2.gz YRBBEMXCIWJEJD-JTQLQIEISA-N 0 1 227.254 2.438 20 0 BEADMN CN1CC[C@H](Oc2ccc(F)c(F)c2F)C1 ZINC001225950610 974741950 /nfs/dbraw/zinc/74/19/50/974741950.db2.gz FUMFODRUCPMVRQ-ZETCQYMHSA-N 0 1 231.217 2.187 20 0 BEADMN CC[C@H](C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225981202 974749810 /nfs/dbraw/zinc/74/98/10/974749810.db2.gz ZVSNBUYDVNDYNS-YFKPBYRVSA-N 0 1 236.193 2.378 20 0 BEADMN c1cc2[nH]nnc2c(O[C@@H]2C=CCCC2)c1 ZINC001225991090 974755398 /nfs/dbraw/zinc/75/53/98/974755398.db2.gz SYVFYBXQMVAKKH-SECBINFHSA-N 0 1 215.256 2.445 20 0 BEADMN CCOC(=O)CN(C)[C@H](CC)CC(C)C ZINC001172399011 974757319 /nfs/dbraw/zinc/75/73/19/974757319.db2.gz WNRMXWKOONJXHA-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H]1CN(Cc2n[nH]c(C)c2C)[C@H](C)CO1 ZINC001331548635 974759469 /nfs/dbraw/zinc/75/94/69/974759469.db2.gz MJUBDVGPNQHSSS-SKDRFNHKSA-N 0 1 237.347 2.026 20 0 BEADMN CC(C)(C)N1CC(Oc2ccnc3[nH]ccc32)C1 ZINC001226096836 974786015 /nfs/dbraw/zinc/78/60/15/974786015.db2.gz IKEGGYDETXVMFW-UHFFFAOYSA-N 0 1 245.326 2.376 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccncc2)n1 ZINC001226155965 974811173 /nfs/dbraw/zinc/81/11/73/974811173.db2.gz JIEYOWMHFYFVEM-SECBINFHSA-N 0 1 231.255 2.026 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)COC(C)(C)C)n1 ZINC001226156872 974811297 /nfs/dbraw/zinc/81/12/97/974811297.db2.gz SERZRGUDAVYXGP-VIFPVBQESA-N 0 1 240.303 2.073 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CC[C@H](C)CC2)n1 ZINC001226155039 974811676 /nfs/dbraw/zinc/81/16/76/974811676.db2.gz CGOCEOFTCPPRPB-CZMCAQCFSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccnc2)n1 ZINC001226155666 974811918 /nfs/dbraw/zinc/81/19/18/974811918.db2.gz GMVGAEOXYDMIPX-VIFPVBQESA-N 0 1 231.255 2.026 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)C2CCC2)n1 ZINC001226157440 974813710 /nfs/dbraw/zinc/81/37/10/974813710.db2.gz ZCAMKCIRPGIBBD-QMMMGPOBSA-N 0 1 208.261 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CC3CCC2CC3)n1 ZINC001226159558 974814029 /nfs/dbraw/zinc/81/40/29/974814029.db2.gz QEKHNHWVACKDNM-ILDUYXDCSA-N 0 1 234.299 2.448 20 0 BEADMN CCC(=O)[C@@H](CC)Oc1n[nH]c2ncccc12 ZINC001226302519 974848799 /nfs/dbraw/zinc/84/87/99/974848799.db2.gz LOCJHLADJBOPIZ-SNVBAGLBSA-N 0 1 233.271 2.094 20 0 BEADMN CC(C)CC[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226324097 974849388 /nfs/dbraw/zinc/84/93/88/974849388.db2.gz HXYRVHIJCNGEFN-VIFPVBQESA-N 0 1 210.277 2.386 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)c1cccnc1 ZINC001226300527 974849961 /nfs/dbraw/zinc/84/99/61/974849961.db2.gz OMQPHHQSWMVYEN-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN CC(C)[C@@H](C)Oc1n[nH]c2ncccc12 ZINC001226303871 974852117 /nfs/dbraw/zinc/85/21/17/974852117.db2.gz XTIQDMPCDCTVFM-MRVPVSSYSA-N 0 1 205.261 2.381 20 0 BEADMN O=c1ccnc(O[C@@H]2CCOc3ccccc32)[nH]1 ZINC001226323496 974855580 /nfs/dbraw/zinc/85/55/80/974855580.db2.gz FKFHNYZDQZUXME-LLVKDONJSA-N 0 1 244.250 2.085 20 0 BEADMN C[C@@H](Oc1nccc(=O)[nH]1)c1cccc(F)c1 ZINC001226324397 974855889 /nfs/dbraw/zinc/85/58/89/974855889.db2.gz OFCFFHSGRJMGKT-MRVPVSSYSA-N 0 1 234.230 2.461 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)c1cccs1 ZINC001226324315 974856730 /nfs/dbraw/zinc/85/67/30/974856730.db2.gz LDAOVBOSLWMTJP-ZETCQYMHSA-N 0 1 222.269 2.384 20 0 BEADMN C[C@H]1CC[C@H](Oc2nccc(=O)[nH]2)CC1 ZINC001226322978 974856862 /nfs/dbraw/zinc/85/68/62/974856862.db2.gz AZSMMZJPCOIQFC-KYZUINATSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2nccc(=O)[nH]2)[C@H]1C ZINC001226326735 974858934 /nfs/dbraw/zinc/85/89/34/974858934.db2.gz NDUNLSTUWXWFFK-KXUCPTDWSA-N 0 1 222.288 2.386 20 0 BEADMN Cc1cnc(Cl)c(O[C@@H]2CCN(C)C2)c1 ZINC001226357377 974862642 /nfs/dbraw/zinc/86/26/42/974862642.db2.gz VAGUEQSBSAPGID-SECBINFHSA-N 0 1 226.707 2.126 20 0 BEADMN Cc1nc2cc(Nc3c[nH]ccc3=O)ccc2[nH]1 ZINC001213073931 974876270 /nfs/dbraw/zinc/87/62/70/974876270.db2.gz ZTRBYAQOBZTCJG-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN Cc1nc2ccc(Nc3c[nH]ccc3=O)cc2[nH]1 ZINC001213073931 974876274 /nfs/dbraw/zinc/87/62/74/974876274.db2.gz ZTRBYAQOBZTCJG-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN c1nnc(CSCC[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC001331951862 974884441 /nfs/dbraw/zinc/88/44/41/974884441.db2.gz JLCUWHRIVJBJCT-ZJUUUORDSA-N 0 1 223.345 2.474 20 0 BEADMN COC(=O)[C@@H]1CCC[C@H](N2CCC[C@@H](F)C2)C1 ZINC001172616267 974887562 /nfs/dbraw/zinc/88/75/62/974887562.db2.gz KOSFUCNBCRFELF-UTUOFQBUSA-N 0 1 243.322 2.152 20 0 BEADMN Cc1nc(O[C@H]2CCCC[C@@H]2F)c(F)c(=O)[nH]1 ZINC001226423117 974891243 /nfs/dbraw/zinc/89/12/43/974891243.db2.gz DSUYZHYRAIWGRH-YUMQZZPRSA-N 0 1 244.241 2.289 20 0 BEADMN COC(=O)[C@H]1CCC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001172628592 974891252 /nfs/dbraw/zinc/89/12/52/974891252.db2.gz KOSFUCNBCRFELF-SDDRHHMPSA-N 0 1 243.322 2.152 20 0 BEADMN CC1(C)CC(n2ccnc2CN)CC(C)(C)O1 ZINC001172639646 974892606 /nfs/dbraw/zinc/89/26/06/974892606.db2.gz IUNHFFJXFIZTHJ-UHFFFAOYSA-N 0 1 237.347 2.251 20 0 BEADMN OC1CN(C2CCC3(CCCC3)CC2)C1 ZINC001172726195 974907647 /nfs/dbraw/zinc/90/76/47/974907647.db2.gz CWXMWHXFIGEHCT-UHFFFAOYSA-N 0 1 209.333 2.166 20 0 BEADMN NCc1nccn1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708595 974925087 /nfs/dbraw/zinc/92/50/87/974925087.db2.gz JKWGEWUPSOVCDA-LBPRGKRZSA-N 0 1 247.729 2.335 20 0 BEADMN CO[C@@H]1CCC[C@@H](NCc2nc(C)co2)C1 ZINC001172915678 974964563 /nfs/dbraw/zinc/96/45/63/974964563.db2.gz UWIXOLRXQPZIAI-GHMZBOCLSA-N 0 1 224.304 2.030 20 0 BEADMN CCc1coc(CN[C@H]2CCC[C@H](OC)C2)n1 ZINC001172915422 974966214 /nfs/dbraw/zinc/96/62/14/974966214.db2.gz RELXNVDTJLMMTN-RYUDHWBXSA-N 0 1 238.331 2.284 20 0 BEADMN CO[C@H]1CCC[C@@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001172932193 974983999 /nfs/dbraw/zinc/98/39/99/974983999.db2.gz QWFUZLIHZXAJHR-USZNOCQGSA-N 0 1 233.302 2.326 20 0 BEADMN CCCCOC1CN([C@@H]2CCC[C@@H](OC)C2)C1 ZINC001172935391 974989668 /nfs/dbraw/zinc/98/96/68/974989668.db2.gz ASAYEXKOQCNFCO-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN Fc1ccc2nc(OC3CCOCC3)[nH]c2c1 ZINC001226700790 975034213 /nfs/dbraw/zinc/03/42/13/975034213.db2.gz BVSAIIGCKZCKRD-UHFFFAOYSA-N 0 1 236.246 2.260 20 0 BEADMN C[C@H]1C[C@H]([N@H+]2CCn3cccc3[C@@H]2C)CCO1 ZINC001173173733 975052947 /nfs/dbraw/zinc/05/29/47/975052947.db2.gz QGZSOEDUEAYHCO-RWMBFGLXSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@H]1C[C@H](N2CCn3cccc3[C@@H]2C)CCO1 ZINC001173173733 975052952 /nfs/dbraw/zinc/05/29/52/975052952.db2.gz QGZSOEDUEAYHCO-RWMBFGLXSA-N 0 1 234.343 2.432 20 0 BEADMN CC(=O)[C@@H](N[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001173169478 975059773 /nfs/dbraw/zinc/05/97/73/975059773.db2.gz ISCICZGAGIAJAX-NILFDRSVSA-N 0 1 247.338 2.474 20 0 BEADMN CC(=O)[C@@H](N[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC001173169479 975060823 /nfs/dbraw/zinc/06/08/23/975060823.db2.gz ISCICZGAGIAJAX-TUKIKUTGSA-N 0 1 247.338 2.474 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2ncc(F)cn2)C1 ZINC001173265149 975123523 /nfs/dbraw/zinc/12/35/23/975123523.db2.gz QCMQTNUHZPISIE-KOLCDFICSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@H]1CC[C@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001173264394 975125688 /nfs/dbraw/zinc/12/56/88/975125688.db2.gz SFIPXUUQEZPDQI-QWRGUYRKSA-N 0 1 249.291 2.113 20 0 BEADMN CC[C@@H]1CC[C@@H](n2c(C)cnc2CN)C1 ZINC001173264987 975125836 /nfs/dbraw/zinc/12/58/36/975125836.db2.gz XQJMEGFANAGLON-GHMZBOCLSA-N 0 1 207.321 2.401 20 0 BEADMN C[C@@H](O)CCCC(=O)Oc1ccc2nc[nH]c2c1 ZINC001226928107 975156643 /nfs/dbraw/zinc/15/66/43/975156643.db2.gz GFODDFFRQZXTMT-SECBINFHSA-N 0 1 248.282 2.019 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCN(C(C)C)C(=O)C2)C1 ZINC001173292507 975167617 /nfs/dbraw/zinc/16/76/17/975167617.db2.gz GZLRWOPDOBDIQH-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CCSC[C@H](C)N1CCCC(=O)CC1 ZINC001173299557 975193258 /nfs/dbraw/zinc/19/32/58/975193258.db2.gz COEWPDQFVHEBCH-JTQLQIEISA-N 0 1 215.362 2.183 20 0 BEADMN CCOC[C@@H](C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976827 975198591 /nfs/dbraw/zinc/19/85/91/975198591.db2.gz HPEQLZWEJCZHBB-SECBINFHSA-N 0 1 248.282 2.139 20 0 BEADMN COc1nc(O[C@H]2CCCC[C@H]2C)cc(=O)[nH]1 ZINC001227000731 975215356 /nfs/dbraw/zinc/21/53/56/975215356.db2.gz QQPUSZHJCSZNOI-BDAKNGLRSA-N 0 1 238.287 2.148 20 0 BEADMN COc1nc(O[C@H]2CC[C@H](C)CC2)cc(=O)[nH]1 ZINC001227000193 975218151 /nfs/dbraw/zinc/21/81/51/975218151.db2.gz GPFPVUBNEBNOJX-KYZUINATSA-N 0 1 238.287 2.148 20 0 BEADMN CC[C@@H]1CC[C@H](n2nc(COC)c3c2CNC3)C1 ZINC001173278834 975233797 /nfs/dbraw/zinc/23/37/97/975233797.db2.gz FYPLDZJNHWHIBX-MNOVXSKESA-N 0 1 249.358 2.384 20 0 BEADMN CCSC[C@H](C)NC1(c2cccnn2)CC1 ZINC001173286873 975246839 /nfs/dbraw/zinc/24/68/39/975246839.db2.gz DDTWMCJFCWOPQS-JTQLQIEISA-N 0 1 237.372 2.197 20 0 BEADMN CC[C@H](C)Oc1nc(=O)[nH]cc1Br ZINC001227134297 975290433 /nfs/dbraw/zinc/29/04/33/975290433.db2.gz YZSMMZVZXDPFET-YFKPBYRVSA-N 0 1 247.092 2.122 20 0 BEADMN CC(=O)Nc1cc(C)ccc1O[C@H]1CC[N@H+](C)C1 ZINC001227179072 975303785 /nfs/dbraw/zinc/30/37/85/975303785.db2.gz NLIXAOJDGPASHM-LBPRGKRZSA-N 0 1 248.326 2.036 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nncs1 ZINC001332897159 975311927 /nfs/dbraw/zinc/31/19/27/975311927.db2.gz JMXPJDOGSAKQAY-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270927 975346197 /nfs/dbraw/zinc/34/61/97/975346197.db2.gz MWCIAXIDUYXVLO-SFYZADRCSA-N 0 1 235.287 2.477 20 0 BEADMN O=c1nc2[nH]ccc2c(OC(C2CC2)C2CC2)[nH]1 ZINC001227270503 975346801 /nfs/dbraw/zinc/34/68/01/975346801.db2.gz GZUJDVUVGSFEAA-UHFFFAOYSA-N 0 1 245.282 2.231 20 0 BEADMN CC(C)[C@@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271412 975347421 /nfs/dbraw/zinc/34/74/21/975347421.db2.gz VRMHUUXMOQCVMA-SSDOTTSWSA-N 0 1 221.260 2.087 20 0 BEADMN COC[C@H](C)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227351918 975372919 /nfs/dbraw/zinc/37/29/19/975372919.db2.gz VGOZMQIHEQQKOX-VIFPVBQESA-N 0 1 248.282 2.058 20 0 BEADMN Fc1cc2c(cc1F)CC(N1CC=CC1)C2 ZINC001173481485 975384288 /nfs/dbraw/zinc/38/42/88/975384288.db2.gz TWWASPPAMAMAHQ-UHFFFAOYSA-N 0 1 221.250 2.304 20 0 BEADMN CC1CN(C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173480668 975384710 /nfs/dbraw/zinc/38/47/10/975384710.db2.gz LAMKBSQCVMQFFC-UHFFFAOYSA-N 0 1 223.266 2.384 20 0 BEADMN Cc1ncn(-c2cccnc2C2CC2)c1N ZINC001212736888 975411659 /nfs/dbraw/zinc/41/16/59/975411659.db2.gz DNDVMJFFAHWPQH-UHFFFAOYSA-N 0 1 214.272 2.035 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Oc1ncnc2nc[nH]c21 ZINC001227531346 975506549 /nfs/dbraw/zinc/50/65/49/975506549.db2.gz IBXWBFFOPDGHSP-BDAKNGLRSA-N 0 1 232.287 2.310 20 0 BEADMN C[C@H]1CCC[C@H](Oc2ncnc3nc[nH]c32)C1 ZINC001227532346 975507777 /nfs/dbraw/zinc/50/77/77/975507777.db2.gz SSBPEVWCPCKOPU-IUCAKERBSA-N 0 1 232.287 2.310 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227536030 975520298 /nfs/dbraw/zinc/52/02/98/975520298.db2.gz WPZOHKLNWSODPS-HTQZYQBOSA-N 0 1 220.276 2.166 20 0 BEADMN Cc1cc(C)nc(CN2CC=CCC2)c1 ZINC001333192062 975549844 /nfs/dbraw/zinc/54/98/44/975549844.db2.gz ADHOMGBCWWESHH-UHFFFAOYSA-N 0 1 202.301 2.460 20 0 BEADMN C[C@H]1CCC(C)(C)N1C(=O)c1coc(CN)c1 ZINC001333199350 975552430 /nfs/dbraw/zinc/55/24/30/975552430.db2.gz GXKNFISDGNFTPK-VIFPVBQESA-N 0 1 236.315 2.141 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1ccccn1 ZINC001227599273 975569458 /nfs/dbraw/zinc/56/94/58/975569458.db2.gz XIKRMELNCQYHCL-QMMMGPOBSA-N 0 1 248.311 2.004 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCCC[C@H]1C ZINC001227597361 975569975 /nfs/dbraw/zinc/56/99/75/975569975.db2.gz BFNQBQIRILCWDF-VXNVDRBHSA-N 0 1 239.344 2.426 20 0 BEADMN CCCC[C@@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599268 975571770 /nfs/dbraw/zinc/57/17/70/975571770.db2.gz XGQKOMTWKPBYCK-SSDOTTSWSA-N 0 1 227.333 2.426 20 0 BEADMN CCC[C@H](CC)Oc1[nH]c(=S)nnc1C ZINC001227599208 975572524 /nfs/dbraw/zinc/57/25/24/975572524.db2.gz URBFAZCTPMXUQN-QMMMGPOBSA-N 0 1 227.333 2.426 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)C1CCC1 ZINC001227599296 975572666 /nfs/dbraw/zinc/57/26/66/975572666.db2.gz XWEVKFGBBPADMN-ZETCQYMHSA-N 0 1 225.317 2.036 20 0 BEADMN COc1nc(Nc2ccccc2C)cc(=O)[nH]1 ZINC001173815777 975574303 /nfs/dbraw/zinc/57/43/03/975574303.db2.gz ZDDMALPDLOKEDA-UHFFFAOYSA-N 0 1 231.255 2.243 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCC(F)(F)C1 ZINC001227602860 975579167 /nfs/dbraw/zinc/57/91/67/975579167.db2.gz ZSDFYWMFCXPSQO-LURJTMIESA-N 0 1 247.270 2.035 20 0 BEADMN CC[C@@H](Oc1nc(=O)[nH]c2c1COC2)C(C)C ZINC001227685932 975609962 /nfs/dbraw/zinc/60/99/62/975609962.db2.gz ALQCEWHEVUKYKV-SNVBAGLBSA-N 0 1 238.287 2.026 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1cc(N)ccn1 ZINC001333273992 975611457 /nfs/dbraw/zinc/61/14/57/975611457.db2.gz WJMLXIIBOFIJLP-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN OCc1cc(Nc2ccccc2)ccn1 ZINC001173792750 975619253 /nfs/dbraw/zinc/61/92/53/975619253.db2.gz VAWBPOBCMNBRRZ-UHFFFAOYSA-N 0 1 200.241 2.318 20 0 BEADMN C[C@@H]1OCc2c1[nH]c(=O)nc2O[C@@H]1C=CCCC1 ZINC001227715250 975634795 /nfs/dbraw/zinc/63/47/95/975634795.db2.gz ZTSNEDAHDHFDOJ-DTWKUNHWSA-N 0 1 248.282 2.261 20 0 BEADMN CCC[C@@H](C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713672 975642570 /nfs/dbraw/zinc/64/25/70/975642570.db2.gz PXUJMDWREJSPPC-HTQZYQBOSA-N 0 1 238.287 2.341 20 0 BEADMN OCc1cc(Nc2ccc(F)cc2)ccn1 ZINC001173798820 975650112 /nfs/dbraw/zinc/65/01/12/975650112.db2.gz SSOXVYGBSVIZFY-UHFFFAOYSA-N 0 1 218.231 2.457 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1cnn(C)c1 ZINC001333325928 975662927 /nfs/dbraw/zinc/66/29/27/975662927.db2.gz CPNAEYJUVIRFHI-VHSXEESVSA-N 0 1 248.305 2.366 20 0 BEADMN COc1nc(Nc2ccc(C)cc2)cc(=O)[nH]1 ZINC001173802581 975676478 /nfs/dbraw/zinc/67/64/78/975676478.db2.gz UUPSNCXIXRASDA-UHFFFAOYSA-N 0 1 231.255 2.243 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)cc1 ZINC001173851854 975759281 /nfs/dbraw/zinc/75/92/81/975759281.db2.gz SNPMJKJIGPYTCA-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@@H]3C2)c(C)s1 ZINC001333466885 975800827 /nfs/dbraw/zinc/80/08/27/975800827.db2.gz NWPOBMMDEFHMHQ-AOOOYVTPSA-N 0 1 208.330 2.212 20 0 BEADMN COc1ccccc1Nc1c(C)ncn1C ZINC001173838909 975872083 /nfs/dbraw/zinc/87/20/83/975872083.db2.gz XKGNDYKXKVWNSW-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN CCOC(=O)c1occc1Nc1ccncc1 ZINC001173881218 975913856 /nfs/dbraw/zinc/91/38/56/975913856.db2.gz HDJPXKYFDPUPOA-UHFFFAOYSA-N 0 1 232.239 2.017 20 0 BEADMN FC(F)(F)c1cc(Nc2ccncc2)on1 ZINC001173879513 975915914 /nfs/dbraw/zinc/91/59/14/975915914.db2.gz SNRDCXFNUWADDQ-UHFFFAOYSA-N 0 1 229.161 2.254 20 0 BEADMN CC(=O)c1cc(Nc2ccncc2)cnc1C ZINC001173881776 975921266 /nfs/dbraw/zinc/92/12/66/975921266.db2.gz AXQZPBZREIMUOO-UHFFFAOYSA-N 0 1 227.267 2.153 20 0 BEADMN c1cc(Nc2nccc3cnccc32)ccn1 ZINC001173881500 975922873 /nfs/dbraw/zinc/92/28/73/975922873.db2.gz WDIJJHNYBLDFOZ-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN CC(=O)c1ccnc(Cl)c1Nc1ccncc1 ZINC001173881683 975923401 /nfs/dbraw/zinc/92/34/01/975923401.db2.gz FOFCEZXNEMJOSW-UHFFFAOYSA-N 0 1 247.685 2.498 20 0 BEADMN FC(F)(F)c1ccnnc1Nc1ccncc1 ZINC001173882611 975928342 /nfs/dbraw/zinc/92/83/42/975928342.db2.gz RIZQLFJYSAOQAE-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN FC(F)(F)c1ncncc1Nc1ccncc1 ZINC001173882077 975931535 /nfs/dbraw/zinc/93/15/35/975931535.db2.gz JNHUSWVRYGDQHS-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN FC(F)Oc1ccncc1Nc1ccncc1 ZINC001173882172 975933295 /nfs/dbraw/zinc/93/32/95/975933295.db2.gz KGBQVEOOPFDBID-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN CC[C@H](c1ccccc1)[S@@](=O)Cc1nc[nH]n1 ZINC001333653892 975936358 /nfs/dbraw/zinc/93/63/58/975936358.db2.gz FAQUVPHCSWXGKL-DIFFPNOSSA-N 0 1 249.339 2.205 20 0 BEADMN Fc1cccn2ncc(Nc3ccncc3)c12 ZINC001173882372 975936071 /nfs/dbraw/zinc/93/60/71/975936071.db2.gz PCUFXDQPFPPXRQ-UHFFFAOYSA-N 0 1 228.230 2.034 20 0 BEADMN Cc1c(O)cccc1Nc1ccncc1 ZINC001173883014 975939308 /nfs/dbraw/zinc/93/93/08/975939308.db2.gz BMXHPELXYUKDLS-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN COC(=O)c1ccc(F)cc1Nc1ccncc1 ZINC001173883226 975942221 /nfs/dbraw/zinc/94/22/21/975942221.db2.gz KWJUJTPLHKPGBC-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN COc1c(F)cccc1Nc1ccncc1 ZINC001173882778 975942790 /nfs/dbraw/zinc/94/27/90/975942790.db2.gz SZFHALNDYNGTEI-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN O=c1ccc2cc(Nc3ccncc3)ccc2[nH]1 ZINC001173883221 975943372 /nfs/dbraw/zinc/94/33/72/975943372.db2.gz KRZOCWLCGPKERT-UHFFFAOYSA-N 0 1 237.262 2.089 20 0 BEADMN COCc1ccc(Nc2ccncc2)cc1 ZINC001173883730 975954867 /nfs/dbraw/zinc/95/48/67/975954867.db2.gz YLNBUYWQPDYGQK-UHFFFAOYSA-N 0 1 214.268 2.394 20 0 BEADMN COC(=O)c1c(F)cccc1Nc1ccncc1 ZINC001173883600 975958028 /nfs/dbraw/zinc/95/80/28/975958028.db2.gz UUQJDMLVQPPJSG-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN Cc1nn(C)c2cc(Nc3ccncc3)ccc12 ZINC001173883558 975959537 /nfs/dbraw/zinc/95/95/37/975959537.db2.gz STDGEDPUKHYLAC-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN Cn1cnc2c1cccc2Nc1ccncc1 ZINC001173884276 975970433 /nfs/dbraw/zinc/97/04/33/975970433.db2.gz LHMGTEQTNFVCHM-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN COCOc1cccc(Nc2ccncc2)c1 ZINC001173884837 975975319 /nfs/dbraw/zinc/97/53/19/975975319.db2.gz UGMVBQLAQRBDQD-UHFFFAOYSA-N 0 1 230.267 2.230 20 0 BEADMN Cc1c(Nc2ccncc2)ccc2c1OCCO2 ZINC001173885190 975984535 /nfs/dbraw/zinc/98/45/35/975984535.db2.gz NMWAGWRSILYKEQ-UHFFFAOYSA-N 0 1 242.278 2.327 20 0 BEADMN COc1ccc(F)cc1Nc1cncn1C ZINC001173954995 975995226 /nfs/dbraw/zinc/99/52/26/975995226.db2.gz PDEDHXHGHKUCKO-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN CO[C@H](C)COc1ccc2nc(C)[nH]c2c1 ZINC001228326356 976119173 /nfs/dbraw/zinc/11/91/73/976119173.db2.gz HKUGUYBUZWAYEZ-MRVPVSSYSA-N 0 1 220.272 2.285 20 0 BEADMN Cc1nc2ccc(O[C@@H]3CCCOC3)cc2[nH]1 ZINC001228326082 976121902 /nfs/dbraw/zinc/12/19/02/976121902.db2.gz DVALETMVOQRSTJ-LLVKDONJSA-N 0 1 232.283 2.429 20 0 BEADMN CCc1ncc(CN2CCCSCC2)o1 ZINC001333872519 976134548 /nfs/dbraw/zinc/13/45/48/976134548.db2.gz AWMGRJYWJCRHFA-UHFFFAOYSA-N 0 1 226.345 2.176 20 0 BEADMN CC(=O)c1ccc(C)c(O[C@H]2CCN(C)C2)c1 ZINC001228348665 976140112 /nfs/dbraw/zinc/14/01/12/976140112.db2.gz GBEHDIOMQMXQEP-ZDUSSCGKSA-N 0 1 233.311 2.281 20 0 BEADMN CC1(C[N@@H+](CC(=O)[O-])Cc2ccccc2)CC1 ZINC000687300970 976140525 /nfs/dbraw/zinc/14/05/25/976140525.db2.gz BKIQWANHMYLVAI-UHFFFAOYSA-N 0 1 233.311 2.373 20 0 BEADMN NC(=O)c1ccc(F)c(N=C2CCCC2)c1 ZINC001173998090 976142610 /nfs/dbraw/zinc/14/26/10/976142610.db2.gz FQRUMZLPWKGDOR-UHFFFAOYSA-N 0 1 220.247 2.404 20 0 BEADMN COC(=O)c1nc(OC)ccc1NC1=CCCC1 ZINC001173998363 976143206 /nfs/dbraw/zinc/14/32/06/976143206.db2.gz COCCNJTUEFFQED-UHFFFAOYSA-N 0 1 248.282 2.357 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])CC1(C(C)C)CC1 ZINC000687534416 976145242 /nfs/dbraw/zinc/14/52/42/976145242.db2.gz JRKIWBXBBJGSEU-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN OCCc1cccnc1NC1=CCCC1 ZINC001174000522 976163130 /nfs/dbraw/zinc/16/31/30/976163130.db2.gz ZNDMWKMHFZRXGA-UHFFFAOYSA-N 0 1 204.273 2.096 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2nc(O)cc(=O)[nH]2)[C@H]1C ZINC001228388790 976183510 /nfs/dbraw/zinc/18/35/10/976183510.db2.gz NGAHADJQMVZAET-HRDYMLBCSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2nc(O)cc(=O)[nH]2)[C@H]1C ZINC001228388792 976185947 /nfs/dbraw/zinc/18/59/47/976185947.db2.gz NGAHADJQMVZAET-VGMNWLOBSA-N 0 1 238.287 2.091 20 0 BEADMN COc1cccc(Nc2ccnc(CO)c2)c1F ZINC001173971716 976190271 /nfs/dbraw/zinc/19/02/71/976190271.db2.gz WKANSALEHNJAME-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN COc1cccc(Nc2c(C)ncn2C)c1OC ZINC001174015904 976212456 /nfs/dbraw/zinc/21/24/56/976212456.db2.gz LPCDMXXHFCWFNB-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)c(C)c1 ZINC001174022146 976227431 /nfs/dbraw/zinc/22/74/31/976227431.db2.gz HJDZRPAWWPPYKQ-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN O=c1ncc(Cl)c(O[C@H]2C=CCCC2)[nH]1 ZINC001228479255 976245072 /nfs/dbraw/zinc/24/50/72/976245072.db2.gz CBBPWZVVWVSOPR-ZETCQYMHSA-N 0 1 226.663 2.323 20 0 BEADMN O=c1nc(O[C@@H]2CCCC[C@H]2F)c(Cl)c[nH]1 ZINC001228481562 976249821 /nfs/dbraw/zinc/24/98/21/976249821.db2.gz CIGFJRPXEHOKLE-HTQZYQBOSA-N 0 1 246.669 2.495 20 0 BEADMN COCc1ccccc1Nc1ccncc1 ZINC001174104045 976306922 /nfs/dbraw/zinc/30/69/22/976306922.db2.gz MRJSBUMCYSJFQN-UHFFFAOYSA-N 0 1 214.268 2.394 20 0 BEADMN COc1nc(Nc2cc(C)ccc2F)cc(=O)[nH]1 ZINC001174110358 976311895 /nfs/dbraw/zinc/31/18/95/976311895.db2.gz AEUKVNWNROVYPE-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN CCN1CC[C@H](Oc2cc(C)cnc2F)C1 ZINC001228585992 976349948 /nfs/dbraw/zinc/34/99/48/976349948.db2.gz IYBKEMSTHMKUQA-JTQLQIEISA-N 0 1 224.279 2.002 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1nnc(OC)s1 ZINC001334194048 976365224 /nfs/dbraw/zinc/36/52/24/976365224.db2.gz MVOJQZKNIPHECQ-DTWKUNHWSA-N 0 1 241.360 2.215 20 0 BEADMN COc1ccc(Nc2ccnc(CO)c2)c(F)c1 ZINC001174144177 976379602 /nfs/dbraw/zinc/37/96/02/976379602.db2.gz YNQCRSBFRZHGES-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1cccnc1 ZINC001228663808 976420616 /nfs/dbraw/zinc/42/06/16/976420616.db2.gz IUAYCSAEXMIESR-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)C(F)(F)F ZINC001228663650 976422531 /nfs/dbraw/zinc/42/25/31/976422531.db2.gz GIUNDEIQCCIGTD-RXMQYKEDSA-N 0 1 231.177 2.288 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)C1CC1 ZINC001228663486 976422618 /nfs/dbraw/zinc/42/26/18/976422618.db2.gz DXSVOLQSQJMHGY-SSDOTTSWSA-N 0 1 203.245 2.135 20 0 BEADMN CCC(=O)[C@H](CC)Oc1ccc2[nH]nnc2c1 ZINC001228668157 976428419 /nfs/dbraw/zinc/42/84/19/976428419.db2.gz ZCLRWAQJDZOORP-LBPRGKRZSA-N 0 1 233.271 2.094 20 0 BEADMN C[N@H+]1CC[C@@H](Oc2cnc3c(c2)CCCC3)C1 ZINC001228778898 976492505 /nfs/dbraw/zinc/49/25/05/976492505.db2.gz PYAJSQPYHYYSDK-GFCCVEGCSA-N 0 1 232.327 2.043 20 0 BEADMN C[C@H](N[C@H]1CCC[C@H](F)C1)c1cc(CO)on1 ZINC001334404580 976498605 /nfs/dbraw/zinc/49/86/05/976498605.db2.gz YGKTTWHNKHLSIF-GUBZILKMSA-N 0 1 242.294 2.098 20 0 BEADMN Nc1cccc2ncn(-c3ccc4n[nH]cc4c3)c21 ZINC001174275152 976498865 /nfs/dbraw/zinc/49/88/65/976498865.db2.gz QCEKCNCXHLOQGL-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Oc1ccc(Nc2ccc3nccn3c2)c(O)c1 ZINC001174276845 976505458 /nfs/dbraw/zinc/50/54/58/976505458.db2.gz SHRSFRLXIZRVFA-UHFFFAOYSA-N 0 1 241.250 2.489 20 0 BEADMN Cc1ncc(Nc2ccc3nccn3c2)cn1 ZINC001174277172 976509321 /nfs/dbraw/zinc/50/93/21/976509321.db2.gz LZCLEKHPMOXKAR-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Nc1cncc(Nc2ccc3nccn3c2)c1 ZINC001174277746 976509461 /nfs/dbraw/zinc/50/94/61/976509461.db2.gz DVEWQAQXIBLKNH-UHFFFAOYSA-N 0 1 225.255 2.055 20 0 BEADMN Cc1c(Nc2cccc3[nH]ncc32)ncn1C ZINC001174342868 976562787 /nfs/dbraw/zinc/56/27/87/976562787.db2.gz HQLLULMLRGYNBY-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN OCc1ncccc1Nc1cccc2[nH]ncc21 ZINC001174342497 976564972 /nfs/dbraw/zinc/56/49/72/976564972.db2.gz CHXBNGCBCIGHKS-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Fc1cncc(F)c1Nc1cccc2[nH]ncc21 ZINC001174341919 976565957 /nfs/dbraw/zinc/56/59/57/976565957.db2.gz ARRXKEDKXFZYFP-UHFFFAOYSA-N 0 1 246.220 2.402 20 0 BEADMN Cc1nccc(Nc2cccc3[nH]ncc32)n1 ZINC001174342297 976567739 /nfs/dbraw/zinc/56/77/39/976567739.db2.gz JGIXWGYRJMOXTM-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1nc(Nc2cccc3[nH]ncc32)cc(=O)[nH]1 ZINC001174342695 976567900 /nfs/dbraw/zinc/56/79/00/976567900.db2.gz LLAWGZZLZTUEOH-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Nc1cncc(Nc2cccc3[nH]ncc32)c1 ZINC001174343423 976571417 /nfs/dbraw/zinc/57/14/17/976571417.db2.gz ONEOLOOTYQIADV-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN OCc1cc(Nc2cccc3n[nH]cc32)ccn1 ZINC001174344214 976571848 /nfs/dbraw/zinc/57/18/48/976571848.db2.gz ZGGXRAVWZVMWGU-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1cc(Nc2cccc3[nH]ncc32)ccn1 ZINC001174344214 976571861 /nfs/dbraw/zinc/57/18/61/976571861.db2.gz ZGGXRAVWZVMWGU-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343428 976574434 /nfs/dbraw/zinc/57/44/34/976574434.db2.gz RWKVFWQKLYQYCU-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COc1cccc(F)c1CN[C@@H](C)[C@@H](C)OC ZINC001334694920 976589343 /nfs/dbraw/zinc/58/93/43/976589343.db2.gz UFCHDIHJZCWXJZ-VHSXEESVSA-N 0 1 241.306 2.347 20 0 BEADMN CCn1cnc(CN[C@@H]2C=CCCC2)c1 ZINC001334708800 976595137 /nfs/dbraw/zinc/59/51/37/976595137.db2.gz WAPYLYLQISDMOW-LLVKDONJSA-N 0 1 205.305 2.101 20 0 BEADMN c1cc2c(OC3CCCC3)nnc-2c[nH]1 ZINC001228989108 976615092 /nfs/dbraw/zinc/61/50/92/976615092.db2.gz DVZWYFPMTIYLNS-UHFFFAOYSA-N 0 1 203.245 2.279 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1cccnc1 ZINC001228991483 976620430 /nfs/dbraw/zinc/62/04/30/976620430.db2.gz ZZDJKJRRIHWQHL-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN c1cc2c(OC3CCSCC3)nnc-2c[nH]1 ZINC001228994709 976623406 /nfs/dbraw/zinc/62/34/06/976623406.db2.gz FNBKKCUBAGEOSQ-UHFFFAOYSA-N 0 1 235.312 2.232 20 0 BEADMN Cc1ccnnc1Nc1ccc2cn[nH]c2c1 ZINC001174498527 976716241 /nfs/dbraw/zinc/71/62/41/976716241.db2.gz NJKZGSGGSXRBGI-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Fc1cncc(F)c1Nc1ccc2c[nH]nc2c1 ZINC001174499253 976730091 /nfs/dbraw/zinc/73/00/91/976730091.db2.gz OKRKKJOLIZHDFQ-UHFFFAOYSA-N 0 1 246.220 2.402 20 0 BEADMN Cc1nn(C)cc1Nc1ccc2c[nH]nc2c1 ZINC001174498827 976732478 /nfs/dbraw/zinc/73/24/78/976732478.db2.gz JJBPUZYVRRJSEE-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1ccc2c(c1)nc(=O)[nH]c2OC1CCC1 ZINC001229138416 976770781 /nfs/dbraw/zinc/77/07/81/976770781.db2.gz YJYJRVACUUHGPX-UHFFFAOYSA-N 0 1 246.266 2.275 20 0 BEADMN Cn1cc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174499880 976773144 /nfs/dbraw/zinc/77/31/44/976773144.db2.gz ZWJOLCOSUCNMSZ-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC3)C2)nc1 ZINC000695125735 976781795 /nfs/dbraw/zinc/78/17/95/976781795.db2.gz UHIRDBIWTPJBGR-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN COc1cc(-n2cnc(C)c2N)cc(F)c1F ZINC001174582584 976845914 /nfs/dbraw/zinc/84/59/14/976845914.db2.gz XJKDXTMSBGGDHU-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000697595239 976851575 /nfs/dbraw/zinc/85/15/75/976851575.db2.gz ZKQVQFFLIAOJAI-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCCCC(F)F ZINC001335146797 976865571 /nfs/dbraw/zinc/86/55/71/976865571.db2.gz WPJZIUVPMBTKKT-SECBINFHSA-N 0 1 248.317 2.021 20 0 BEADMN COC(=O)c1cccnc1N=CC(C)C ZINC001174558173 976869928 /nfs/dbraw/zinc/86/99/28/976869928.db2.gz UNSPEGQFDASSKY-UHFFFAOYSA-N 0 1 206.245 2.204 20 0 BEADMN CCn1cc(-n2c(N)nc3c2cccc3C)cn1 ZINC001174565984 976882298 /nfs/dbraw/zinc/88/22/98/976882298.db2.gz DTERQQQIPOUUCA-UHFFFAOYSA-N 0 1 241.298 2.133 20 0 BEADMN OCc1cc(Nc2cc(F)ccc2O)ccn1 ZINC001174625257 976895030 /nfs/dbraw/zinc/89/50/30/976895030.db2.gz BCBVLVWHEVXAMG-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN COc1c(F)ccc(F)c1O[C@H]1CCN(C)C1 ZINC001229655837 976929685 /nfs/dbraw/zinc/92/96/85/976929685.db2.gz SELGMBVARMLSAJ-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N(C1CC1)C1CC1 ZINC001335331194 976970860 /nfs/dbraw/zinc/97/08/60/976970860.db2.gz GMDQDIXRJCNBJU-UHFFFAOYSA-N 0 1 231.299 2.054 20 0 BEADMN CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001277419027 976983641 /nfs/dbraw/zinc/98/36/41/976983641.db2.gz MGTRKCRZLQDICQ-BETUJISGSA-N 0 1 238.375 2.262 20 0 BEADMN C[C@H]1CC[C@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC000721535164 977089947 /nfs/dbraw/zinc/08/99/47/977089947.db2.gz YMZKYODBSUEFOT-BQBZGAKWSA-N 0 1 228.679 2.403 20 0 BEADMN Cc1ncn(-c2cccc3cccnc32)c1N ZINC001174858197 977126400 /nfs/dbraw/zinc/12/64/00/977126400.db2.gz AHHNNCTVZXTHCZ-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CO[C@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1F ZINC001249456064 977145616 /nfs/dbraw/zinc/14/56/16/977145616.db2.gz BDHFOONVAXUEMA-GJZGRUSLSA-N 0 1 249.329 2.344 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H](C)CC(C)C)n1 ZINC001230279117 977156449 /nfs/dbraw/zinc/15/64/49/977156449.db2.gz CEVPSEQWDZGDOJ-QMMMGPOBSA-N 0 1 226.276 2.010 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H]2CCC[C@H](C)C2)n1 ZINC001230279963 977157206 /nfs/dbraw/zinc/15/72/06/977157206.db2.gz KQDWJYRSHGMOQH-DTWKUNHWSA-N 0 1 238.287 2.154 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CC[C@@H](C)CC2)n1 ZINC001230281618 977160714 /nfs/dbraw/zinc/16/07/14/977160714.db2.gz BHNREBGGAWWNHW-DTORHVGOSA-N 0 1 238.287 2.154 20 0 BEADMN CCOc1ccc(F)c(-n2cncc2N)c1F ZINC001175037775 977229832 /nfs/dbraw/zinc/22/98/32/977229832.db2.gz VHCLJGXWKBUPBL-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)cc1 ZINC001175043381 977239218 /nfs/dbraw/zinc/23/92/18/977239218.db2.gz NMBYAYKASBTGMQ-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CO[C@@H]1CCCN([C@@H](C)c2ncccn2)CC1 ZINC001335745121 977260219 /nfs/dbraw/zinc/26/02/19/977260219.db2.gz JZTYRQYALYHLFI-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN CCOc1cccc(-n2cnc(C)c2N)c1 ZINC001175091755 977264833 /nfs/dbraw/zinc/26/48/33/977264833.db2.gz GNHSRPDAJSYVPK-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN Oc1cnc(Nc2ccncc2F)c(Cl)c1 ZINC001175199084 977301101 /nfs/dbraw/zinc/30/11/01/977301101.db2.gz SHMGYHCDVJXYMK-UHFFFAOYSA-N 0 1 239.637 2.140 20 0 BEADMN CCc1ncc(CN(C)[C@@H](CO)CC(C)C)o1 ZINC001335820914 977306031 /nfs/dbraw/zinc/30/60/31/977306031.db2.gz KCOSAXJZXBMGMR-LLVKDONJSA-N 0 1 240.347 2.076 20 0 BEADMN Nc1nonc1Nc1ccc(Cl)c(F)c1 ZINC001175204505 977308844 /nfs/dbraw/zinc/30/88/44/977308844.db2.gz LXZOEDDOWVRNHY-UHFFFAOYSA-N 0 1 228.614 2.188 20 0 BEADMN Cc1ncn(-c2cc(C)ccc2C)c1N ZINC001175162985 977311408 /nfs/dbraw/zinc/31/14/08/977311408.db2.gz DAZMSHLRBQEHMV-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN CC(=O)[C@H](C)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230890225 977356429 /nfs/dbraw/zinc/35/64/29/977356429.db2.gz ZIHCDGOHYPGJEA-VIFPVBQESA-N 0 1 246.266 2.000 20 0 BEADMN CC(C)OC(=O)c1ccc(-n2cncc2N)cc1 ZINC001175257809 977358251 /nfs/dbraw/zinc/35/82/51/977358251.db2.gz CZZZKTCJHXCQTR-UHFFFAOYSA-N 0 1 245.282 2.020 20 0 BEADMN Cc1ncn(C)c1Nc1c(F)ccc(O)c1F ZINC001175266167 977363179 /nfs/dbraw/zinc/36/31/79/977363179.db2.gz PPNZRQJOQBWJPT-UHFFFAOYSA-N 0 1 239.225 2.456 20 0 BEADMN Cc1ncn(C)c1Nc1ccccc1[S@@](C)=O ZINC001175309254 977370634 /nfs/dbraw/zinc/37/06/34/977370634.db2.gz UBRGXBMNJFPJNJ-QGZVFWFLSA-N 0 1 249.339 2.210 20 0 BEADMN Cn1cncc1Nc1ccc(-n2cccn2)cc1 ZINC001175368443 977398500 /nfs/dbraw/zinc/39/85/00/977398500.db2.gz CWARSQMBMALUEU-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(cnn2C)c1 ZINC001175419187 977425087 /nfs/dbraw/zinc/42/50/87/977425087.db2.gz DOJWIBXJFCRVAI-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN Cn1cncc1Nc1cccc2c1cnn2C ZINC001175435787 977430014 /nfs/dbraw/zinc/43/00/14/977430014.db2.gz MFHOTXSVABGDPY-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2cnn(C)c21 ZINC001175441567 977432482 /nfs/dbraw/zinc/43/24/82/977432482.db2.gz VKWACTPATGYYBW-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN COC(=O)c1ncsc1Nc1cncs1 ZINC001175497022 977460033 /nfs/dbraw/zinc/46/00/33/977460033.db2.gz OMSQUTBHFNRKDH-UHFFFAOYSA-N 0 1 241.297 2.130 20 0 BEADMN Cc1cc(-n2cccc2N)cc2cn[nH]c21 ZINC001175518288 977500645 /nfs/dbraw/zinc/50/06/45/977500645.db2.gz NNZYIYPHWWAPLW-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ccnnc1 ZINC001175525578 977504144 /nfs/dbraw/zinc/50/41/44/977504144.db2.gz NYNHCFDEQPOITB-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H](CF)C2)oc1C(=O)[O-] ZINC000711489945 977550989 /nfs/dbraw/zinc/55/09/89/977550989.db2.gz LHNMTXGXZOMPQC-SECBINFHSA-N 0 1 241.262 2.078 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1[C@@H]1C=CCCC1 ZINC001594219448 977563385 /nfs/dbraw/zinc/56/33/85/977563385.db2.gz VLGGRKYZDXNIKG-GMTAPVOTSA-N 0 1 209.289 2.033 20 0 BEADMN CNC(=O)c1cccnc1NC=CC(C)(C)C ZINC001175572538 977564762 /nfs/dbraw/zinc/56/47/62/977564762.db2.gz MBBUGWARLJSYJO-VQHVLOKHSA-N 0 1 233.315 2.413 20 0 BEADMN Cc1ccc(NC2=CCCN(C)C2)nc1 ZINC001175572673 977564553 /nfs/dbraw/zinc/56/45/53/977564553.db2.gz JYAILPOYLYYMQG-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)CC1CCC1 ZINC001336214154 977574170 /nfs/dbraw/zinc/57/41/70/977574170.db2.gz JTMINQSEMALJSL-UHFFFAOYSA-N 0 1 244.298 2.395 20 0 BEADMN COc1c(F)cccc1NC1=CCCN(C)C1 ZINC001175575832 977582819 /nfs/dbraw/zinc/58/28/19/977582819.db2.gz AKGINRVNOXKYBH-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN CN1CCC=C(Nc2cn(C3CCC3)cn2)C1 ZINC001175576629 977583526 /nfs/dbraw/zinc/58/35/26/977583526.db2.gz KQUJMJQRZCOLPS-UHFFFAOYSA-N 0 1 232.331 2.239 20 0 BEADMN CN1CCC=C(Nc2cn(CC3CCC3)cn2)C1 ZINC001175576932 977584856 /nfs/dbraw/zinc/58/48/56/977584856.db2.gz NHSQYOFDTGGIQE-UHFFFAOYSA-N 0 1 246.358 2.315 20 0 BEADMN CN1CCC=C(Nc2ccc(F)c(F)c2O)C1 ZINC001175577520 977585728 /nfs/dbraw/zinc/58/57/28/977585728.db2.gz BGZNYUSOZUOFKC-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN Cc1cc(F)nc(NC2=CCCN(C)C2)c1 ZINC001175577454 977587637 /nfs/dbraw/zinc/58/76/37/977587637.db2.gz TYPMJKBOFCPLKO-UHFFFAOYSA-N 0 1 221.279 2.160 20 0 BEADMN Cc1c(F)ccc(CN2C[C@H](O)[C@@H](C)C2)c1F ZINC001231475179 977591921 /nfs/dbraw/zinc/59/19/21/977591921.db2.gz IFHVSVXPCJVZKS-UFBFGSQYSA-N 0 1 241.281 2.086 20 0 BEADMN CN1CCC=C(Nc2cccc3c2OCCO3)C1 ZINC001175580217 977592861 /nfs/dbraw/zinc/59/28/61/977592861.db2.gz WNYHBJZMWGFRGQ-UHFFFAOYSA-N 0 1 246.310 2.089 20 0 BEADMN Cc1cc(N)c(NC2=CCCN(C)C2)cc1F ZINC001175578943 977595117 /nfs/dbraw/zinc/59/51/17/977595117.db2.gz LKHQYPSZQVAMNP-UHFFFAOYSA-N 0 1 235.306 2.348 20 0 BEADMN COC(=O)C1CN(Cc2cc(C)c(C)cc2C)C1 ZINC001231482072 977595355 /nfs/dbraw/zinc/59/53/55/977595355.db2.gz CFJNSMGEBIISTD-UHFFFAOYSA-N 0 1 247.338 2.217 20 0 BEADMN Cc1cccnc1CN1CCO[C@@H](C)CC1 ZINC001336268049 977606280 /nfs/dbraw/zinc/60/62/80/977606280.db2.gz MYCYSTVGYHRRRQ-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cn1ccnc1Nc1cccc2c[nH]nc21 ZINC001175636384 977607610 /nfs/dbraw/zinc/60/76/10/977607610.db2.gz WWUUNOAVXMMBPP-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN FC[C@H]1CCCN1Cc1c[nH]c2cccnc12 ZINC001231494256 977611881 /nfs/dbraw/zinc/61/18/81/977611881.db2.gz PNMSXBISRZIGNH-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cnccc23)C[C@H](C)O1 ZINC001231514221 977617273 /nfs/dbraw/zinc/61/72/73/977617273.db2.gz NJADAQDSTYLBNI-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN Cn1cc2cc(Nc3cncn3C)ccc2n1 ZINC001175617410 977622236 /nfs/dbraw/zinc/62/22/36/977622236.db2.gz IVLPYDQXXDPEHN-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2nn(C)cc2c1 ZINC001175618928 977622468 /nfs/dbraw/zinc/62/24/68/977622468.db2.gz KRGACPJYBGSTRL-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN F[C@@H]1CCN(Cc2c[nH]c3cnccc23)C1 ZINC001231515899 977625066 /nfs/dbraw/zinc/62/50/66/977625066.db2.gz OQANCBJCVJDJNX-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN COc1nonc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175695343 977630462 /nfs/dbraw/zinc/63/04/62/977630462.db2.gz FTFSVUJJBHFYRP-UHFFFAOYSA-N 0 1 245.242 2.007 20 0 BEADMN Cc1n[nH]c2cc(Nc3ccncc3)ccc12 ZINC001175657887 977632837 /nfs/dbraw/zinc/63/28/37/977632837.db2.gz PXBYCRQCIPOOQR-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(CC)cn2)C1 ZINC001231642949 977660216 /nfs/dbraw/zinc/66/02/16/977660216.db2.gz VLMUBBIRRJHKJI-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CCc1ccc(CN2CCC[C@@]3(CCO3)C2)nc1 ZINC001231642008 977660891 /nfs/dbraw/zinc/66/08/91/977660891.db2.gz NJIWDNOPCFRRBV-OAHLLOKOSA-N 0 1 246.354 2.399 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCCC23CC3)n1 ZINC001231669794 977683341 /nfs/dbraw/zinc/68/33/41/977683341.db2.gz QVCKZWQVNJLJTK-UHFFFAOYSA-N 0 1 218.300 2.224 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2nccnc2CN)[C@H]1C ZINC001336439956 977684182 /nfs/dbraw/zinc/68/41/82/977684182.db2.gz RUJHTOKHAUQYBF-OUAUKWLOSA-N 0 1 234.347 2.172 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001231669529 977685515 /nfs/dbraw/zinc/68/55/15/977685515.db2.gz IECIRMFFWDYQBE-NSHDSACASA-N 0 1 238.306 2.420 20 0 BEADMN Cc1ccc(O)c(CN2CCCC[C@H](F)C2)n1 ZINC001231669529 977685522 /nfs/dbraw/zinc/68/55/22/977685522.db2.gz IECIRMFFWDYQBE-NSHDSACASA-N 0 1 238.306 2.420 20 0 BEADMN COCc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)o1 ZINC001231693967 977693555 /nfs/dbraw/zinc/69/35/55/977693555.db2.gz ZSAFVAIQCFXCBZ-KWBADKCTSA-N 0 1 239.290 2.358 20 0 BEADMN Cc1nonc1Nc1cnn(C2CCC2)c1 ZINC001175755923 977710907 /nfs/dbraw/zinc/71/09/07/977710907.db2.gz GRJBBUBZYDHFAC-UHFFFAOYSA-N 0 1 219.248 2.043 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1nccnc1CN ZINC001336476202 977711075 /nfs/dbraw/zinc/71/10/75/977711075.db2.gz FHNBCKPTJQBWJR-MNOVXSKESA-N 0 1 234.347 2.174 20 0 BEADMN CCN(CC)Cc1cc(F)cnc1OC ZINC001231740675 977723582 /nfs/dbraw/zinc/72/35/82/977723582.db2.gz MCDJFQAXBLNNNQ-UHFFFAOYSA-N 0 1 212.268 2.071 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C2CCC2)c1 ZINC001175760046 977719093 /nfs/dbraw/zinc/71/90/93/977719093.db2.gz IMGVBSWYHDMSKF-UHFFFAOYSA-N 0 1 231.303 2.394 20 0 BEADMN CCOc1ncccc1CN(C)C(C)C ZINC001231761245 977732473 /nfs/dbraw/zinc/73/24/73/977732473.db2.gz VYQUYTRPIUPFFV-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN CC/C=C(\C)C(=O)N(C)C1CN(CC(C)C)C1 ZINC001277564925 977744087 /nfs/dbraw/zinc/74/40/87/977744087.db2.gz RFTFOVIRFFLECE-KPKJPENVSA-N 0 1 238.375 2.141 20 0 BEADMN CSc1ccccc1CN1CC2(CC(O)C2)C1 ZINC001231784074 977749406 /nfs/dbraw/zinc/74/94/06/977749406.db2.gz OYPUXIRHPJICEW-UHFFFAOYSA-N 0 1 249.379 2.365 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(F)cn1 ZINC001175846600 977762141 /nfs/dbraw/zinc/76/21/41/977762141.db2.gz HTFWJUOLUOKHQS-UHFFFAOYSA-N 0 1 228.230 2.142 20 0 BEADMN COC(=O)C1CN(Cc2ccccc2C(C)C)C1 ZINC001231874875 977777312 /nfs/dbraw/zinc/77/73/12/977777312.db2.gz XKMOUTRHPVZQRA-UHFFFAOYSA-N 0 1 247.338 2.415 20 0 BEADMN Cn1ccc2c1cccc2Nc1nnco1 ZINC001175862901 977792384 /nfs/dbraw/zinc/79/23/84/977792384.db2.gz ORZKOPWIKZTLIX-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN COc1ccc2nc(N)n(-c3cscn3)c2c1 ZINC001175937082 977795252 /nfs/dbraw/zinc/79/52/52/977795252.db2.gz CGZFWCBLKJSMIM-UHFFFAOYSA-N 0 1 246.295 2.073 20 0 BEADMN COc1cnc(CN2CCCCC23CC3)cn1 ZINC001231939722 977799751 /nfs/dbraw/zinc/79/97/51/977799751.db2.gz PIRHXHRQRWSJQH-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN COc1ccnc(CN2CCC[C@@H](CF)C2)c1 ZINC001231968814 977812610 /nfs/dbraw/zinc/81/26/10/977812610.db2.gz CNYITWFUIFWOMU-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN Nc1nonc1Nc1ccc2scnc2c1 ZINC001175911410 977812847 /nfs/dbraw/zinc/81/28/47/977812847.db2.gz MBHBCXGRZOTJSP-UHFFFAOYSA-N 0 1 233.256 2.005 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001336615292 977814231 /nfs/dbraw/zinc/81/42/31/977814231.db2.gz JTDUGYOXPLXLDF-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN O=C1CCCN(Cc2cccc3c[nH]nc32)CC1 ZINC001231973566 977817226 /nfs/dbraw/zinc/81/72/26/977817226.db2.gz XZGAMJDVWDTFMQ-UHFFFAOYSA-N 0 1 243.310 2.118 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc2c[nH]nc21 ZINC001231970415 977817597 /nfs/dbraw/zinc/81/75/97/977817597.db2.gz OYZGHXRZQPSBPP-BXKDBHETSA-N 0 1 233.290 2.495 20 0 BEADMN c1ccc(Nc2ccc3nn[nH]c3c2)nc1 ZINC001175995791 977826560 /nfs/dbraw/zinc/82/65/60/977826560.db2.gz JSIYLAWCEHVYMT-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1ccc(Nc2ccc3n[nH]nc3c2)nc1 ZINC001175995791 977826564 /nfs/dbraw/zinc/82/65/64/977826564.db2.gz JSIYLAWCEHVYMT-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Clc1cc(Nc2ccc3nn[nH]c3c2)cnn1 ZINC001175995813 977829505 /nfs/dbraw/zinc/82/95/05/977829505.db2.gz KLMAWAPZXBISDD-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cc(Nc2ccc3n[nH]nc3c2)cnn1 ZINC001175995813 977829509 /nfs/dbraw/zinc/82/95/09/977829509.db2.gz KLMAWAPZXBISDD-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN COc1ccc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175996331 977855070 /nfs/dbraw/zinc/85/50/70/977855070.db2.gz PVTPPCZVMASVJH-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1ccccc1CN(C)Cc1ccc(=O)[nH]n1 ZINC001232023616 977854981 /nfs/dbraw/zinc/85/49/81/977854981.db2.gz BHPYEMXZDVUFID-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN COc1ccc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175996331 977855076 /nfs/dbraw/zinc/85/50/76/977855076.db2.gz PVTPPCZVMASVJH-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Fc1cnc(Nc2ccc3nn[nH]c3c2)c(F)c1 ZINC001175999175 977855220 /nfs/dbraw/zinc/85/52/20/977855220.db2.gz OJXSHEGEPPKROV-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1cnc(Nc2ccc3n[nH]nc3c2)c(F)c1 ZINC001175999175 977855222 /nfs/dbraw/zinc/85/52/22/977855222.db2.gz OJXSHEGEPPKROV-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Cc1nc(Nc2ccc3nn[nH]c3c2)cs1 ZINC001176001572 977855350 /nfs/dbraw/zinc/85/53/50/977855350.db2.gz HKHYRFCDSLJRTI-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1nc(Nc2ccc3n[nH]nc3c2)cs1 ZINC001176001572 977855353 /nfs/dbraw/zinc/85/53/53/977855353.db2.gz HKHYRFCDSLJRTI-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN COCC1CCN(Cc2ccc(OC)o2)CC1 ZINC001336687025 977858057 /nfs/dbraw/zinc/85/80/57/977858057.db2.gz SMMLAZYWCIARMR-UHFFFAOYSA-N 0 1 239.315 2.147 20 0 BEADMN O=C([O-])C1(CC[N@@H+]2CCC[C@H]2C(F)F)CCC1 ZINC001594879527 977868805 /nfs/dbraw/zinc/86/88/05/977868805.db2.gz IVTPRAPYWDSRSV-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC[C@H]2C(F)F)CCC1 ZINC001594879527 977868808 /nfs/dbraw/zinc/86/88/08/977868808.db2.gz IVTPRAPYWDSRSV-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001232044142 977871580 /nfs/dbraw/zinc/87/15/80/977871580.db2.gz HROKVLOETVJQJQ-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN O=c1cc(Nc2ncc[nH]2)c2ccccc2[nH]1 ZINC001176080458 977875667 /nfs/dbraw/zinc/87/56/67/977875667.db2.gz RXLYKWIJLGHZKA-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN c1c[nH]c(Nc2ncccc2N2CCCC2)n1 ZINC001176082415 977879345 /nfs/dbraw/zinc/87/93/45/977879345.db2.gz JOXLZFJLSSNOPO-UHFFFAOYSA-N 0 1 229.287 2.149 20 0 BEADMN COc1cc(Cl)ncc1Nc1ncc[nH]1 ZINC001176082443 977879680 /nfs/dbraw/zinc/87/96/80/977879680.db2.gz KNONITDLIOJVTK-UHFFFAOYSA-N 0 1 224.651 2.210 20 0 BEADMN COc1nc(Cl)ccc1Nc1ncc[nH]1 ZINC001176082212 977880613 /nfs/dbraw/zinc/88/06/13/977880613.db2.gz ZMKRGBGTPMCTLW-UHFFFAOYSA-N 0 1 224.651 2.210 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ccc(C)nc2C)C1 ZINC001232084627 977880984 /nfs/dbraw/zinc/88/09/84/977880984.db2.gz PSNWYKFRPJSNBX-LBPRGKRZSA-N 0 1 234.343 2.165 20 0 BEADMN c1c[nH]c(Nc2cccc3snnc32)n1 ZINC001176085018 977887822 /nfs/dbraw/zinc/88/78/22/977887822.db2.gz BNMJTKWBWNSTIE-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN c1ccc([C@]23C[C@H]2CN(CC2=NOCC2)C3)cc1 ZINC001176089216 977890539 /nfs/dbraw/zinc/89/05/39/977890539.db2.gz YYPUKGVVHRTKAV-DZGCQCFKSA-N 0 1 242.322 2.036 20 0 BEADMN CC=C(C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001336732225 977892205 /nfs/dbraw/zinc/89/22/05/977892205.db2.gz RAAIAANBACVPJV-DAXSKMNVSA-N 0 1 230.271 2.171 20 0 BEADMN Cc1ccc2nc(N)n(C3=CCOCC3)c2c1 ZINC001176139344 977911544 /nfs/dbraw/zinc/91/15/44/977911544.db2.gz ALRLJIHLLOSZLY-UHFFFAOYSA-N 0 1 229.283 2.188 20 0 BEADMN c1ccc2nc(NC3=CCOCC3)cnc2c1 ZINC001176140912 977923710 /nfs/dbraw/zinc/92/37/10/977923710.db2.gz MGALNQNYBSTTQH-UHFFFAOYSA-N 0 1 227.267 2.346 20 0 BEADMN Cc1nc2ccc(F)cn2c1NC1=CCOCC1 ZINC001176143608 977926871 /nfs/dbraw/zinc/92/68/71/977926871.db2.gz CEQWXCIWUZCKRK-UHFFFAOYSA-N 0 1 247.273 2.498 20 0 BEADMN Cc1scnc1CN1CCC2(CC2)C1 ZINC001232207466 977934332 /nfs/dbraw/zinc/93/43/32/977934332.db2.gz CEPALMAHWWABHT-UHFFFAOYSA-N 0 1 208.330 2.437 20 0 BEADMN O=C([O-])C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001595071775 977937996 /nfs/dbraw/zinc/93/79/96/977937996.db2.gz JHUAODSEJXIGMM-CQSZACIVSA-N 0 1 243.306 2.464 20 0 BEADMN COc1cc(Nc2nccn2C)c(F)cc1F ZINC001176107210 977939234 /nfs/dbraw/zinc/93/92/34/977939234.db2.gz MMKVIQBIPHUDOO-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN O=C([O-])C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001595072594 977945309 /nfs/dbraw/zinc/94/53/09/977945309.db2.gz ZKGVTTULMLAIOB-LBPRGKRZSA-N 0 1 235.283 2.281 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001595091696 977949843 /nfs/dbraw/zinc/94/98/43/977949843.db2.gz DECCZIPHGNURGI-NSHDSACASA-N 0 1 241.237 2.186 20 0 BEADMN COCc1ccc(CN2CCCC23COC3)cc1 ZINC001232300475 977992864 /nfs/dbraw/zinc/99/28/64/977992864.db2.gz NWRLJTIYLFFRBY-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN CSc1ccc(CN(C)[C@@H]2CCOC2)cn1 ZINC001232329529 978002538 /nfs/dbraw/zinc/00/25/38/978002538.db2.gz ZRZKDIGPODXLSZ-LLVKDONJSA-N 0 1 238.356 2.024 20 0 BEADMN Nc1nccc(NC[C@@H]2C[C@@H]2C2CCCC2)n1 ZINC001336856161 978005961 /nfs/dbraw/zinc/00/59/61/978005961.db2.gz TWABEAZZEJQUKO-WDEREUQCSA-N 0 1 232.331 2.297 20 0 BEADMN Cc1nc(N)ccc1CN1C[C@@H](C)C[C@H]1CF ZINC001232339974 978015362 /nfs/dbraw/zinc/01/53/62/978015362.db2.gz JPQIUWHWARPNLO-CABZTGNLSA-N 0 1 237.322 2.152 20 0 BEADMN CC(C)(C(=O)NCCCCC1CC1)c1cnc[nH]1 ZINC001336880427 978021820 /nfs/dbraw/zinc/02/18/20/978021820.db2.gz HBHVEFAEKXPLAT-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN C[C@]1(CF)CCN(Cc2[nH]nc3c2CCC3)C1 ZINC001232424147 978056764 /nfs/dbraw/zinc/05/67/64/978056764.db2.gz CXMJNINIFAYQOH-CYBMUJFWSA-N 0 1 237.322 2.080 20 0 BEADMN Cc1ncc(CN2Cc3cccc(F)c3C2)[nH]1 ZINC001232463924 978107899 /nfs/dbraw/zinc/10/78/99/978107899.db2.gz PBLNIVNETALDCN-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN C[C@H]1CCC[C@H](CNc2nccnc2CN)C1 ZINC001336998505 978119755 /nfs/dbraw/zinc/11/97/55/978119755.db2.gz MADZBXQUGMZZAX-QWRGUYRKSA-N 0 1 234.347 2.174 20 0 BEADMN COc1nonc1Nc1ccccc1Cl ZINC001176551406 978124487 /nfs/dbraw/zinc/12/44/87/978124487.db2.gz MTZWONJBSQIOEF-UHFFFAOYSA-N 0 1 225.635 2.475 20 0 BEADMN COCC[N@@H+](C)Cc1c(C)cccc1F ZINC001232482773 978133679 /nfs/dbraw/zinc/13/36/79/978133679.db2.gz WYWVFIXYRAXRAC-UHFFFAOYSA-N 0 1 211.280 2.212 20 0 BEADMN COCCN(C)Cc1c(C)cccc1F ZINC001232482773 978133685 /nfs/dbraw/zinc/13/36/85/978133685.db2.gz WYWVFIXYRAXRAC-UHFFFAOYSA-N 0 1 211.280 2.212 20 0 BEADMN Cc1cccc(F)c1CN(C)[C@H]1CCOC1 ZINC001232484695 978135873 /nfs/dbraw/zinc/13/58/73/978135873.db2.gz KONBOLRAERHREY-NSHDSACASA-N 0 1 223.291 2.355 20 0 BEADMN Fc1ccnc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001232494862 978147248 /nfs/dbraw/zinc/14/72/48/978147248.db2.gz GUXXEJCONBMXOJ-JOYOIKCWSA-N 0 1 206.264 2.205 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1c1nccnc1CN ZINC001337066794 978150704 /nfs/dbraw/zinc/15/07/04/978150704.db2.gz LZGNZJBREWMZQI-AAEUAGOBSA-N 0 1 248.374 2.340 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1c1nccnc1CN ZINC001337074004 978153303 /nfs/dbraw/zinc/15/33/03/978153303.db2.gz SMQDYXDPLVFVRX-AAEUAGOBSA-N 0 1 248.374 2.340 20 0 BEADMN C[C@@H]1CN(Cc2cccc(CF)n2)CCCO1 ZINC001232534418 978163597 /nfs/dbraw/zinc/16/35/97/978163597.db2.gz CVEQVZSKPIOUJN-LLVKDONJSA-N 0 1 238.306 2.162 20 0 BEADMN NCc1nccnc1NCCCc1cccs1 ZINC001337101171 978164597 /nfs/dbraw/zinc/16/45/97/978164597.db2.gz UHNNSRDMMZRLPQ-UHFFFAOYSA-N 0 1 248.355 2.042 20 0 BEADMN F[C@H]1CCCCN(Cc2c[nH]c3nccnc23)C1 ZINC001232546591 978173262 /nfs/dbraw/zinc/17/32/62/978173262.db2.gz DCNOUZBPFQDILT-NSHDSACASA-N 0 1 248.305 2.234 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C[C@@H]1O ZINC001232550402 978175181 /nfs/dbraw/zinc/17/51/81/978175181.db2.gz VBWIDUSEEKGTBY-MFKMUULPSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@@H]1CCN(Cc2cc3ccoc3cn2)C[C@@H]1O ZINC001232550402 978175183 /nfs/dbraw/zinc/17/51/83/978175183.db2.gz VBWIDUSEEKGTBY-MFKMUULPSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)CCc1cc(C)[nH]n1 ZINC001596159871 978175508 /nfs/dbraw/zinc/17/55/08/978175508.db2.gz BDXXNUSQLSCRBF-WCQYABFASA-N 0 1 249.358 2.346 20 0 BEADMN C[C@@]1(CO)CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550539 978175881 /nfs/dbraw/zinc/17/58/81/978175881.db2.gz YCBCCSJQPJBZHM-CQSZACIVSA-N 0 1 246.310 2.032 20 0 BEADMN C[C@@]1(CO)CCN(Cc2cc3ccoc3cn2)C1 ZINC001232550539 978175886 /nfs/dbraw/zinc/17/58/86/978175886.db2.gz YCBCCSJQPJBZHM-CQSZACIVSA-N 0 1 246.310 2.032 20 0 BEADMN c1cc2cc(C[N@H+]3CCC4(COC4)C3)ncc2o1 ZINC001232550882 978177675 /nfs/dbraw/zinc/17/76/75/978177675.db2.gz CTKSUNNMJPSCRE-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN c1cc2cc(CN3CCC4(COC4)C3)ncc2o1 ZINC001232550882 978177687 /nfs/dbraw/zinc/17/76/87/978177687.db2.gz CTKSUNNMJPSCRE-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N(Cc1ccccc1NC)C2 ZINC001232672192 978223660 /nfs/dbraw/zinc/22/36/60/978223660.db2.gz BMPMYODSPQGZAB-ZFWWWQNUSA-N 0 1 246.354 2.482 20 0 BEADMN CNc1ccccc1CN1CCOC[C@@H]1C1CC1 ZINC001232672621 978237166 /nfs/dbraw/zinc/23/71/66/978237166.db2.gz GXTMUTXWDQZILL-OAHLLOKOSA-N 0 1 246.354 2.339 20 0 BEADMN c1nc2cccc(CN3CC4(COC4)C3)c2s1 ZINC001232730945 978251803 /nfs/dbraw/zinc/25/18/03/978251803.db2.gz BGZRLFLQNWKIHJ-UHFFFAOYSA-N 0 1 246.335 2.129 20 0 BEADMN Cc1cn[nH]c1CN1CC(F)(F)CC[C@H]1C ZINC001176898412 978258503 /nfs/dbraw/zinc/25/85/03/978258503.db2.gz SIAALNBRFANAKJ-SECBINFHSA-N 0 1 229.274 2.338 20 0 BEADMN Cc1c(CN2C[C@@H]3C[C@@H]3C2)ccnc1Cl ZINC001232752595 978262054 /nfs/dbraw/zinc/26/20/54/978262054.db2.gz XZRWENNZJGZINN-PHIMTYICSA-N 0 1 222.719 2.495 20 0 BEADMN NCc1nccnc1NC[C@@H]1CCC=CCCC1 ZINC001337283054 978262109 /nfs/dbraw/zinc/26/21/09/978262109.db2.gz BMTYAPWNOPKZHM-GFCCVEGCSA-N 0 1 246.358 2.484 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)c(F)cc1F ZINC001232779585 978271795 /nfs/dbraw/zinc/27/17/95/978271795.db2.gz BHLCJHPKOKXJPF-UHFFFAOYSA-N 0 1 240.297 2.021 20 0 BEADMN CCCn1cnc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001232799301 978288110 /nfs/dbraw/zinc/28/81/10/978288110.db2.gz GJPIVRXNLYRAPX-WCQYABFASA-N 0 1 219.332 2.277 20 0 BEADMN COc1cc(CN2CC(C)C2)c(OC)cc1C ZINC001232832201 978306860 /nfs/dbraw/zinc/30/68/60/978306860.db2.gz AXJAJDKZRURTBC-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN CCc1ncc(CNC(=O)c2cc(C)cs2)[nH]1 ZINC001597258323 978307270 /nfs/dbraw/zinc/30/72/70/978307270.db2.gz ZLAYVNHYWSYTLO-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN c1nc2ccc(CN3CC[C@@]34CCOC4)cc2o1 ZINC001232944001 978352225 /nfs/dbraw/zinc/35/22/25/978352225.db2.gz KWDBPBLSDLTNDB-AWEZNQCLSA-N 0 1 244.294 2.193 20 0 BEADMN CC[N@@H+](CCOC)Cc1cc([O-])c(F)c(F)c1 ZINC001232969494 978369171 /nfs/dbraw/zinc/36/91/71/978369171.db2.gz QOICYEAFWZVLGB-UHFFFAOYSA-N 0 1 245.269 2.139 20 0 BEADMN Cc1ncc(F)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001232987466 978386222 /nfs/dbraw/zinc/38/62/22/978386222.db2.gz LBPDYCDTWZZIGO-DRZSPHRISA-N 0 1 238.281 2.319 20 0 BEADMN Cc1[nH]ncc1CNc1ccnn1[C@@H](C)C1CC1 ZINC001177650872 978415271 /nfs/dbraw/zinc/41/52/71/978415271.db2.gz POHBRRLWBVSYNR-JTQLQIEISA-N 0 1 245.330 2.498 20 0 BEADMN COC[C@H]1CCCN1Cc1cccc(O)c1F ZINC001233050592 978439955 /nfs/dbraw/zinc/43/99/55/978439955.db2.gz QQFNGBBXIKQQRT-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN CN(C)c1ccc(CN(C)CC2CC2)c(F)n1 ZINC001233114114 978468597 /nfs/dbraw/zinc/46/85/97/978468597.db2.gz DFJDWTPVZOJNII-UHFFFAOYSA-N 0 1 237.322 2.129 20 0 BEADMN CC(=O)C1CCN(Cc2cnc(C)c(C)c2)CC1 ZINC001233162098 978483035 /nfs/dbraw/zinc/48/30/35/978483035.db2.gz RNPCYIWHLRLUMC-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN CC(=O)[C@H]1CCCCN1Cc1cc(C)c[nH]c1=O ZINC001233193577 978493769 /nfs/dbraw/zinc/49/37/69/978493769.db2.gz FDGCWXRIIBMGNQ-CYBMUJFWSA-N 0 1 248.326 2.039 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cccc(C)n2)[nH]n1 ZINC001337809173 978508140 /nfs/dbraw/zinc/50/81/40/978508140.db2.gz IZKQQLGRGKKJQZ-JTQLQIEISA-N 0 1 230.315 2.465 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259247 978514849 /nfs/dbraw/zinc/51/48/49/978514849.db2.gz LJENPNORYMIHGI-NSHDSACASA-N 0 1 223.341 2.196 20 0 BEADMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc([S-])cc1 ZINC001233259001 978515706 /nfs/dbraw/zinc/51/57/06/978515706.db2.gz CKQWDBGLAFEMGX-ZYHUDNBSSA-N 0 1 237.368 2.321 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)[C@H]1CCOC1 ZINC001233261214 978518147 /nfs/dbraw/zinc/51/81/47/978518147.db2.gz HEYFBAITZONYKK-NSHDSACASA-N 0 1 223.341 2.196 20 0 BEADMN [S-]c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001233262984 978519959 /nfs/dbraw/zinc/51/99/59/978519959.db2.gz CELHOMUFYUDGMB-VXGBXAGGSA-N 0 1 235.352 2.339 20 0 BEADMN [S-]c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001233262984 978519969 /nfs/dbraw/zinc/51/99/69/978519969.db2.gz CELHOMUFYUDGMB-VXGBXAGGSA-N 0 1 235.352 2.339 20 0 BEADMN [S-]c1ccc(C[N@H+]2CC[C@]23CCOC3)cc1 ZINC001233262545 978521564 /nfs/dbraw/zinc/52/15/64/978521564.db2.gz LBFUGDHGBNWLTO-CYBMUJFWSA-N 0 1 235.352 2.340 20 0 BEADMN Cc1cnsc1CN1CCCO[C@@H](C)C1 ZINC001233318241 978550941 /nfs/dbraw/zinc/55/09/41/978550941.db2.gz WNOFYLBBPAPXTL-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CCOC(=O)c1ccnc(CN2CCC[C@@H]2C)c1 ZINC001233323128 978563370 /nfs/dbraw/zinc/56/33/70/978563370.db2.gz HHOVLNYCDLYCBO-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN Cc1ncc(CN2CC[C@@](C)(CF)C2)o1 ZINC001233365073 978575381 /nfs/dbraw/zinc/57/53/81/978575381.db2.gz XDEHUEISMONJHJ-NSHDSACASA-N 0 1 212.268 2.165 20 0 BEADMN C/C=C\COC(=O)[C@@H]1CCCCN1CCC ZINC001338000371 978586358 /nfs/dbraw/zinc/58/63/58/978586358.db2.gz FVYYDIOOOYLYQN-FHMRSRPSSA-N 0 1 225.332 2.370 20 0 BEADMN Clc1cncc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC001233445980 978601246 /nfs/dbraw/zinc/60/12/46/978601246.db2.gz CIIJWSPDQFIZDO-NXEZZACHSA-N 0 1 237.734 2.362 20 0 BEADMN Clc1cncc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC001233445981 978603488 /nfs/dbraw/zinc/60/34/88/978603488.db2.gz CIIJWSPDQFIZDO-UWVGGRQHSA-N 0 1 237.734 2.362 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1n[nH]c(N(C)C)n1 ZINC001178677431 978606347 /nfs/dbraw/zinc/60/63/47/978606347.db2.gz HADWHMDGDBUQPN-ZJUUUORDSA-N 0 1 237.351 2.109 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 ZINC001233591604 978638092 /nfs/dbraw/zinc/63/80/92/978638092.db2.gz YFYYCMYGFPDOLR-BKPPORCPSA-N 0 1 240.690 2.403 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2ccccc2F)C1 ZINC001203357612 978638149 /nfs/dbraw/zinc/63/81/49/978638149.db2.gz ROWSGKUBDUJMPM-NSHDSACASA-N 0 1 221.275 2.237 20 0 BEADMN O=c1cc(Cl)c(O[C@H]2CCCC[C@H]2F)n[nH]1 ZINC001233588471 978638474 /nfs/dbraw/zinc/63/84/74/978638474.db2.gz DDVWXRDSSXEDII-SFYZADRCSA-N 0 1 246.669 2.495 20 0 BEADMN C[C@@H](CF)NCc1cccc2nsnc21 ZINC001178817675 978640595 /nfs/dbraw/zinc/64/05/95/978640595.db2.gz RHSQTMSEVIHLAS-ZETCQYMHSA-N 0 1 225.292 2.139 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)sc1C ZINC001233646417 978659444 /nfs/dbraw/zinc/65/94/44/978659444.db2.gz RIOPNQXFFYANGO-UHFFFAOYSA-N 0 1 224.373 2.112 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1c[nH]c2ccccc12 ZINC001179047609 978660279 /nfs/dbraw/zinc/66/02/79/978660279.db2.gz NEINTQYIJVZRNS-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC(C)=C(F)C(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001233663590 978665941 /nfs/dbraw/zinc/66/59/41/978665941.db2.gz ODVCOLYYTRRBFJ-NSHDSACASA-N 0 1 242.338 2.191 20 0 BEADMN CC[C@@H](C)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001179087359 978667943 /nfs/dbraw/zinc/66/79/43/978667943.db2.gz CADBCMDOFQAESD-SECBINFHSA-N 0 1 223.320 2.195 20 0 BEADMN Cc1cc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)oc1C(=O)[O-] ZINC001600149836 978671083 /nfs/dbraw/zinc/67/10/83/978671083.db2.gz KQKRITYEKLDAPJ-AEJSXWLSSA-N 0 1 235.283 2.441 20 0 BEADMN Cn1cc(Cl)c(CN[C@]23C[C@H]2CCCC3)n1 ZINC001179347863 978693775 /nfs/dbraw/zinc/69/37/75/978693775.db2.gz GSGRCRKEWASUQH-BXKDBHETSA-N 0 1 239.750 2.496 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001600533234 978701343 /nfs/dbraw/zinc/70/13/43/978701343.db2.gz MIQRJDNUWGXONC-HIFRSBDPSA-N 0 1 245.322 2.434 20 0 BEADMN CCn1cnc(CNc2ccc3c[nH]nc3c2)c1 ZINC001179443993 978703583 /nfs/dbraw/zinc/70/35/83/978703583.db2.gz ZDORXUBBYKBICK-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN Cc1[nH]nc(CNCc2cc(C)ccn2)c1C ZINC001179479124 978708874 /nfs/dbraw/zinc/70/88/74/978708874.db2.gz JVEGZXQVDGMXGR-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CN1CCC[C@@H](Oc2cc(Cl)ncc2F)C1 ZINC001233911064 978728518 /nfs/dbraw/zinc/72/85/18/978728518.db2.gz HDJMDPHUSPYCNG-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN CCCC[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC ZINC001234039417 978762379 /nfs/dbraw/zinc/76/23/79/978762379.db2.gz LTMUMZBGULNGDE-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN COc1cc(C)cc(F)c1O[C@@H]1CCN(C)C1 ZINC001234226704 978795177 /nfs/dbraw/zinc/79/51/77/978795177.db2.gz ADVOLRINQQQUQF-SNVBAGLBSA-N 0 1 239.290 2.226 20 0 BEADMN Cc1ncc(CSCc2nnc[nH]2)s1 ZINC001339116975 978796227 /nfs/dbraw/zinc/79/62/27/978796227.db2.gz HQFXKICREDNGLK-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN1CCNC(=O)[C@@H]1C ZINC001179993329 978803189 /nfs/dbraw/zinc/80/31/89/978803189.db2.gz JMJUPCPJWLFNHW-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(CC)[N@@H+](CC)Cc1cc(C(=O)[O-])n[nH]1 ZINC001339184059 978812157 /nfs/dbraw/zinc/81/21/57/978812157.db2.gz WXHUANHWFIQXSH-UHFFFAOYSA-N 0 1 239.319 2.118 20 0 BEADMN CC(=O)c1cc(O[C@H]2CCN(C)C2)ccc1C ZINC001234316846 978818148 /nfs/dbraw/zinc/81/81/48/978818148.db2.gz MQALWJQABUSIIG-ZDUSSCGKSA-N 0 1 233.311 2.281 20 0 BEADMN CN1CCC[C@@H](Oc2noc3c2CCCC3)C1 ZINC001234453168 978841525 /nfs/dbraw/zinc/84/15/25/978841525.db2.gz UKOLKOKDUGDUKD-SNVBAGLBSA-N 0 1 236.315 2.026 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CF)C1 ZINC001601811346 978852693 /nfs/dbraw/zinc/85/26/93/978852693.db2.gz YODOACXSIQTZOG-GRYCIOLGSA-N 0 1 243.322 2.169 20 0 BEADMN CCN(CC)CC(=O)Nc1cnc2occc2c1 ZINC001180385430 978869729 /nfs/dbraw/zinc/86/97/29/978869729.db2.gz JVXZIQKZRQPLDL-UHFFFAOYSA-N 0 1 247.298 2.108 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234690298 978898491 /nfs/dbraw/zinc/89/84/91/978898491.db2.gz NMSHZRAMEYJLTQ-RNFRBKRXSA-N 0 1 238.266 2.305 20 0 BEADMN CC(C)(CF)NCc1cccc2c1OCC2 ZINC001339870766 978931159 /nfs/dbraw/zinc/93/11/59/978931159.db2.gz MDFOAXJPMJOYRO-UHFFFAOYSA-N 0 1 223.291 2.459 20 0 BEADMN Nc1nc2ccccc2n1-c1c(O)cccc1F ZINC001249988859 978968340 /nfs/dbraw/zinc/96/83/40/978968340.db2.gz HVAQIADHHGMGQC-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN FC(F)(F)CCCN1CCC12CN(C1CC1)C2 ZINC001277922988 978975443 /nfs/dbraw/zinc/97/54/43/978975443.db2.gz PXTHEZVGDSXARW-UHFFFAOYSA-N 0 1 248.292 2.251 20 0 BEADMN COC(=O)c1ccnc(CN2CCCC[C@@H]2C)c1 ZINC001235196513 978993287 /nfs/dbraw/zinc/99/32/87/978993287.db2.gz CZWJGGKENJYUNX-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN OC1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235233298 979002704 /nfs/dbraw/zinc/00/27/04/979002704.db2.gz CSIUPWCAWDAWLV-UHFFFAOYSA-N 0 1 248.301 2.264 20 0 BEADMN Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)cc(C)n1 ZINC001181073153 979003835 /nfs/dbraw/zinc/00/38/35/979003835.db2.gz NKUPDYKDSAVKLD-KBPBESRZSA-N 0 1 247.386 2.223 20 0 BEADMN Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)cc(C)n1 ZINC001181073179 979004586 /nfs/dbraw/zinc/00/45/86/979004586.db2.gz NKUPDYKDSAVKLD-ZIAGYGMSSA-N 0 1 247.386 2.223 20 0 BEADMN COc1cc(CN2CCC[C@@H]3C[C@@H]32)c(F)cn1 ZINC001235321543 979023444 /nfs/dbraw/zinc/02/34/44/979023444.db2.gz BDPBTQYBGZSCQN-SKDRFNHKSA-N 0 1 236.290 2.214 20 0 BEADMN CCN(Cc1cc(C)cnc1F)CC(C)(C)O ZINC001235336502 979028720 /nfs/dbraw/zinc/02/87/20/979028720.db2.gz CGGPAJLEEDNTRS-UHFFFAOYSA-N 0 1 240.322 2.122 20 0 BEADMN Cc1ncn(C)c1CN1CCc2ccccc2C1 ZINC001235539843 979077005 /nfs/dbraw/zinc/07/70/05/979077005.db2.gz CWKYKBBOAZPKOG-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CC(C)[C@@H](C)CC(=O)NCCCN(C)CCF ZINC001235544173 979083885 /nfs/dbraw/zinc/08/38/85/979083885.db2.gz GTGXHHOYVQZIKP-LBPRGKRZSA-N 0 1 246.370 2.076 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c[nH]1 ZINC001602255311 979095801 /nfs/dbraw/zinc/09/58/01/979095801.db2.gz FUWOHWFUHYONJP-LBPRGKRZSA-N 0 1 248.326 2.335 20 0 BEADMN CCN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC001235678651 979117472 /nfs/dbraw/zinc/11/74/72/979117472.db2.gz DKWBTCKESOHOEZ-UHFFFAOYSA-N 0 1 207.252 2.154 20 0 BEADMN Oc1cc(Cl)cc(-c2ncc3c(n2)CNC3)c1 ZINC001235901563 979194716 /nfs/dbraw/zinc/19/47/16/979194716.db2.gz WFFMNKQKNCJVOC-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](CC)CO)cs1 ZINC001341061068 979213110 /nfs/dbraw/zinc/21/31/10/979213110.db2.gz OKMGCEXUJUMOEM-IUCAKERBSA-N 0 1 228.361 2.127 20 0 BEADMN Oc1c(F)cc(F)c(-c2ccc(F)nn2)c1F ZINC001235985070 979266092 /nfs/dbraw/zinc/26/60/92/979266092.db2.gz NEJUTMZFTWBASM-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Oc1c(F)cc(F)c(-c2cnc(F)nc2)c1F ZINC001235994176 979285434 /nfs/dbraw/zinc/28/54/34/979285434.db2.gz KLXYBFAWWGCMAO-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Cn1cncc1-c1c(F)cc(F)c(O)c1F ZINC001235996100 979294640 /nfs/dbraw/zinc/29/46/40/979294640.db2.gz STGLDTRQCASZRK-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN CC[C@@]1(C)CN(C/C=C(\C)COC)CCO1 ZINC001341281782 979312407 /nfs/dbraw/zinc/31/24/07/979312407.db2.gz RHJMBININMXXKG-UWUHSAQLSA-N 0 1 227.348 2.080 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)C(C1CC1)C1CC1 ZINC001602954898 979332993 /nfs/dbraw/zinc/33/29/93/979332993.db2.gz HYYDIDSGUQSEJE-VQHVLOKHSA-N 0 1 223.316 2.138 20 0 BEADMN Cc1ncn(-c2cc(Cl)c(O)cc2F)c1N ZINC001250023066 979334198 /nfs/dbraw/zinc/33/41/98/979334198.db2.gz AYXXVRBFLLGKCA-UHFFFAOYSA-N 0 1 241.653 2.261 20 0 BEADMN C/C(=C/CNc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC001602975697 979355316 /nfs/dbraw/zinc/35/53/16/979355316.db2.gz PGLFMIXBQRAYEY-CLFYSBASSA-N 0 1 245.282 2.016 20 0 BEADMN CN[C@H]1CCN1Cc1cccc2c1CCCC2 ZINC001236167729 979418891 /nfs/dbraw/zinc/41/88/91/979418891.db2.gz PHCHEQOJCJTIGH-OAHLLOKOSA-N 0 1 230.355 2.317 20 0 BEADMN CCNc1ccccc1CN1CC2(C1)CCOC2 ZINC001182116044 979449996 /nfs/dbraw/zinc/44/99/96/979449996.db2.gz ZTAQSWFOGVOZMP-UHFFFAOYSA-N 0 1 246.354 2.341 20 0 BEADMN Cc1cc(CN(C)Cc2cnc(C)s2)n[nH]1 ZINC001341540606 979460285 /nfs/dbraw/zinc/46/02/85/979460285.db2.gz ZQOQUSUNQRVDCL-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001603752878 979515540 /nfs/dbraw/zinc/51/55/40/979515540.db2.gz DVNSJIKNENHYEB-GUBZILKMSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@H]([C@@H]1C[C@H]1C(=O)[O-])n1c[nH+]c2c1CCCC2 ZINC001604050791 979563196 /nfs/dbraw/zinc/56/31/96/979563196.db2.gz SBRWBZSDKVIWIS-KXUCPTDWSA-N 0 1 234.299 2.044 20 0 BEADMN COc1cncc(-c2cncc3nc[nH]c32)c1C ZINC001236384429 979572642 /nfs/dbraw/zinc/57/26/42/979572642.db2.gz ZUGVMMLROHQOHX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccnc1-c1c(F)ccc(C)c1O ZINC001236388958 979576980 /nfs/dbraw/zinc/57/69/80/979576980.db2.gz BVGBQSVBWHLKPV-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN C[C@@H](C(=O)OCc1ccc2[nH]nnc2c1)C1CC1 ZINC001341898636 979591012 /nfs/dbraw/zinc/59/10/12/979591012.db2.gz LUZNILVTVWLRHR-MRVPVSSYSA-N 0 1 245.282 2.047 20 0 BEADMN C[C@@H](C(=O)OCc1ccc2nn[nH]c2c1)C1CC1 ZINC001341898636 979591019 /nfs/dbraw/zinc/59/10/19/979591019.db2.gz LUZNILVTVWLRHR-MRVPVSSYSA-N 0 1 245.282 2.047 20 0 BEADMN CCc1nnc(CNCC[C@H]2CC2(F)F)s1 ZINC000691635363 979596217 /nfs/dbraw/zinc/59/62/17/979596217.db2.gz UBRIGMKMSDMKQK-ZETCQYMHSA-N 0 1 247.314 2.235 20 0 BEADMN CC(C)Nc1ccc(-c2cnc(CN)nc2)cc1 ZINC001236484837 979608264 /nfs/dbraw/zinc/60/82/64/979608264.db2.gz PFNXNVULDWKLLE-UHFFFAOYSA-N 0 1 242.326 2.423 20 0 BEADMN CC/C=C/NC(=O)Cc1ccc2nc[nH]c2c1 ZINC001182846043 979641900 /nfs/dbraw/zinc/64/19/00/979641900.db2.gz RVGXQDNYAXPJDO-ZZXKWVIFSA-N 0 1 229.283 2.145 20 0 BEADMN COCCN(C)Cc1cc(Cl)cc(C)n1 ZINC001236637228 979684169 /nfs/dbraw/zinc/68/41/69/979684169.db2.gz WMYQNEHJRCPHMF-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001604666338 979695483 /nfs/dbraw/zinc/69/54/83/979695483.db2.gz YLVSZQINFLDNLB-PHIMTYICSA-N 0 1 249.310 2.246 20 0 BEADMN CC1(CO)CN(Cc2cccc3occc32)C1 ZINC001236733595 979710009 /nfs/dbraw/zinc/71/00/09/979710009.db2.gz BCEJTECHDCBPMP-UHFFFAOYSA-N 0 1 231.295 2.247 20 0 BEADMN CC(=O)CN(C)Cc1cccc2ccoc21 ZINC001236731558 979713928 /nfs/dbraw/zinc/71/39/28/979713928.db2.gz FBNVEJHJXZLKAS-UHFFFAOYSA-N 0 1 217.268 2.454 20 0 BEADMN OC[C@]1(F)CC[N@@H+](Cc2cccc3occc32)C1 ZINC001236735993 979718568 /nfs/dbraw/zinc/71/85/68/979718568.db2.gz WMFDXXJSTTVTFI-AWEZNQCLSA-N 0 1 249.285 2.339 20 0 BEADMN OC[C@]1(F)CCN(Cc2cccc3occc32)C1 ZINC001236735993 979718579 /nfs/dbraw/zinc/71/85/79/979718579.db2.gz WMFDXXJSTTVTFI-AWEZNQCLSA-N 0 1 249.285 2.339 20 0 BEADMN c1nc2cccc(C[C@H]3CCCO3)c2[nH]1 ZINC001250105594 979782884 /nfs/dbraw/zinc/78/28/84/979782884.db2.gz NZLJYWXGPCKQRP-SNVBAGLBSA-N 0 1 202.257 2.284 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1[C@@H]1C=CCCC1 ZINC001604998982 979791269 /nfs/dbraw/zinc/79/12/69/979791269.db2.gz ADFSTOKRHXKYRM-IJLUTSLNSA-N 0 1 223.316 2.423 20 0 BEADMN Cc1c(CN2C[C@H](O)[C@@H](C)C2)ccc(F)c1F ZINC001237153629 979822491 /nfs/dbraw/zinc/82/24/91/979822491.db2.gz KOKJRESWCSHHJT-UFBFGSQYSA-N 0 1 241.281 2.086 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001605166358 979826153 /nfs/dbraw/zinc/82/61/53/979826153.db2.gz LLJZSYFQZAEPPU-BBBLOLIVSA-N 0 1 247.285 2.074 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC001605172544 979829131 /nfs/dbraw/zinc/82/91/31/979829131.db2.gz UCWUKOJBUOFZHP-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC001605171143 979830135 /nfs/dbraw/zinc/83/01/35/979830135.db2.gz JRAABCOUUMZXSW-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN COc1nc(CN2CCC(F)CC2)ccc1C ZINC001183521204 979834060 /nfs/dbraw/zinc/83/40/60/979834060.db2.gz WKZMOGAIZLAZOX-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN CC(C)(CNC(=O)C(C)(C)c1cnc[nH]1)C1CC1 ZINC001342592583 979836428 /nfs/dbraw/zinc/83/64/28/979836428.db2.gz QKHXSAKOTUBBSI-UHFFFAOYSA-N 0 1 249.358 2.240 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCc1ccc(C)cc1 ZINC001342606320 979838704 /nfs/dbraw/zinc/83/87/04/979838704.db2.gz YEVHPLQWJZMILL-UHFFFAOYSA-N 0 1 244.294 2.426 20 0 BEADMN CCN(C)Cc1ccc(Cl)nc1OC ZINC001237243682 979855287 /nfs/dbraw/zinc/85/52/87/979855287.db2.gz XQRMKKLWCMPOBN-UHFFFAOYSA-N 0 1 214.696 2.195 20 0 BEADMN CCc1cccc(C)c1CN(C)CC(=O)N(C)C ZINC001237326573 979867178 /nfs/dbraw/zinc/86/71/78/979867178.db2.gz GPIXZWYFBOCFSU-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CCc1[nH+]ccn1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605861946 979920920 /nfs/dbraw/zinc/92/09/20/979920920.db2.gz ISVDYAPGQLICHQ-MNOVXSKESA-N 0 1 236.315 2.337 20 0 BEADMN CCc1[nH+]ccn1CCc1ccccc1C(=O)[O-] ZINC001605863420 979922570 /nfs/dbraw/zinc/92/25/70/979922570.db2.gz GZAPAAYVQKOASF-UHFFFAOYSA-N 0 1 244.294 2.386 20 0 BEADMN COc1c(C)cccc1CN1CCCOCC1 ZINC001237501603 979923461 /nfs/dbraw/zinc/92/34/61/979923461.db2.gz TWLUPDLGDLXKKA-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN CCn1cncc1CN1CCCCC12CC2 ZINC001237597489 979952859 /nfs/dbraw/zinc/95/28/59/979952859.db2.gz SJNYEKORTIPVBF-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001606121029 979958404 /nfs/dbraw/zinc/95/84/04/979958404.db2.gz LZOBXVKETLUYER-AATRIKPKSA-N 0 1 241.262 2.169 20 0 BEADMN COc1ccc([C@@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001237601412 979961543 /nfs/dbraw/zinc/96/15/43/979961543.db2.gz HXVANMCJLSTINX-SNVBAGLBSA-N 0 1 246.314 2.006 20 0 BEADMN c1nnc(CN2CC=C(c3ccccc3)CC2)[nH]1 ZINC001237602615 979962200 /nfs/dbraw/zinc/96/22/00/979962200.db2.gz VSYZWCGEWJYIGU-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001606229641 979977289 /nfs/dbraw/zinc/97/72/89/979977289.db2.gz YDKFLRFYFMBGAH-MGPQQGTHSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1coc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC001237643903 979993996 /nfs/dbraw/zinc/99/39/96/979993996.db2.gz VDZOHVXKCMRLBT-AOOOYVTPSA-N 0 1 208.305 2.461 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001606313554 979994519 /nfs/dbraw/zinc/99/45/19/979994519.db2.gz STHVIXZKWWYUCF-CMPLNLGQSA-N 0 1 248.326 2.023 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CO[C@@H](C)C1 ZINC001343077135 979999503 /nfs/dbraw/zinc/99/95/03/979999503.db2.gz KGSCJVQSPGQEES-UWVGGRQHSA-N 0 1 239.290 2.101 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@](C)(F)[C@H](F)C1 ZINC001237651332 980006248 /nfs/dbraw/zinc/00/62/48/980006248.db2.gz JOFPPAIEUJXSQW-NEPJUHHUSA-N 0 1 243.301 2.244 20 0 BEADMN CCc1[nH]ncc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001237652340 980011813 /nfs/dbraw/zinc/01/18/13/980011813.db2.gz SCPYLDXYKUMVIT-JTQLQIEISA-N 0 1 247.264 2.151 20 0 BEADMN O=C(Nc1cnoc1)c1nccc(Cl)c1F ZINC001343129018 980016742 /nfs/dbraw/zinc/01/67/42/980016742.db2.gz LHKOKXUKFGQYLY-UHFFFAOYSA-N 0 1 241.609 2.114 20 0 BEADMN CCc1cc(CN2CC[C@@H](O)C2)ccc1Cl ZINC001237737969 980042606 /nfs/dbraw/zinc/04/26/06/980042606.db2.gz FDWFINMBCSCPQB-GFCCVEGCSA-N 0 1 239.746 2.469 20 0 BEADMN COC(=O)CCCc1cc2cn[nH]c2cc1C ZINC001250146259 980056124 /nfs/dbraw/zinc/05/61/24/980056124.db2.gz AQZZTYDCYOKXJI-UHFFFAOYSA-N 0 1 232.283 2.367 20 0 BEADMN Cc1cc(N)ncc1CCC(F)(F)F ZINC001250148887 980067263 /nfs/dbraw/zinc/06/72/63/980067263.db2.gz IPMVRUDBYABUNE-UHFFFAOYSA-N 0 1 204.195 2.467 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(F)c(C)n2)C1 ZINC001237828191 980070778 /nfs/dbraw/zinc/07/07/78/980070778.db2.gz QIGVEAXPSBNSAB-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN OCc1cc(-c2cncc3nc[nH]c32)cs1 ZINC001205297329 980087177 /nfs/dbraw/zinc/08/71/77/980087177.db2.gz DMOCXKCKZCLXCA-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN COc1ccoc1CN1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001237871528 980105002 /nfs/dbraw/zinc/10/50/02/980105002.db2.gz HHEHYJKCLBFGIH-WDEREUQCSA-N 0 1 249.310 2.089 20 0 BEADMN CC(=O)c1ccc(F)c(CCN(C)C)c1 ZINC001250158162 980110382 /nfs/dbraw/zinc/11/03/82/980110382.db2.gz MCRPJBFQNMMSPF-UHFFFAOYSA-N 0 1 209.264 2.132 20 0 BEADMN CC[C@@H](C)CC(=O)OCc1ccc2[nH]nnc2c1 ZINC001343471063 980118864 /nfs/dbraw/zinc/11/88/64/980118864.db2.gz TXBREVHPAQMMGB-SECBINFHSA-N 0 1 247.298 2.437 20 0 BEADMN CC[C@@H](C)CC(=O)OCc1ccc2nn[nH]c2c1 ZINC001343471063 980118867 /nfs/dbraw/zinc/11/88/67/980118867.db2.gz TXBREVHPAQMMGB-SECBINFHSA-N 0 1 247.298 2.437 20 0 BEADMN CC[C@H](C)CC(=O)OCc1ccc2[nH]nnc2c1 ZINC001343471065 980119402 /nfs/dbraw/zinc/11/94/02/980119402.db2.gz TXBREVHPAQMMGB-VIFPVBQESA-N 0 1 247.298 2.437 20 0 BEADMN CC[C@H](C)CC(=O)OCc1ccc2nn[nH]c2c1 ZINC001343471065 980119406 /nfs/dbraw/zinc/11/94/06/980119406.db2.gz TXBREVHPAQMMGB-VIFPVBQESA-N 0 1 247.298 2.437 20 0 BEADMN COC(=O)CC1CN(Cc2ccsc2C)C1 ZINC001237972129 980121427 /nfs/dbraw/zinc/12/14/27/980121427.db2.gz OBNSHVWKIMTRPC-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN Oc1c(F)cc(CN2CCC2)cc1Cl ZINC001237988869 980121612 /nfs/dbraw/zinc/12/16/12/980121612.db2.gz HMFYMPPMKIMHKB-UHFFFAOYSA-N 0 1 215.655 2.390 20 0 BEADMN Cc1coc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001607921458 980139563 /nfs/dbraw/zinc/13/95/63/980139563.db2.gz AGDJJLGZYFBJOT-JOYOIKCWSA-N 0 1 237.299 2.273 20 0 BEADMN CN(Cc1cccc2cncn21)CC(F)(F)F ZINC001238103561 980149897 /nfs/dbraw/zinc/14/98/97/980149897.db2.gz MKZOGXHNANAEEY-UHFFFAOYSA-N 0 1 243.232 2.328 20 0 BEADMN COc1cnc(F)c(CN2CCC[C@H]3C[C@H]32)c1 ZINC001238125656 980165130 /nfs/dbraw/zinc/16/51/30/980165130.db2.gz JCUKGRCDWVRQBB-JOYOIKCWSA-N 0 1 236.290 2.214 20 0 BEADMN CN(Cc1cc(Cl)c(O)cc1F)C1COC1 ZINC001238153111 980175716 /nfs/dbraw/zinc/17/57/16/980175716.db2.gz WEHJZYLINAQNMK-UHFFFAOYSA-N 0 1 245.681 2.015 20 0 BEADMN CC[C@@H]1CCCN1Cc1c(N)ccnc1F ZINC001238152518 980177936 /nfs/dbraw/zinc/17/79/36/980177936.db2.gz AIBHQUJTYBYWNK-SECBINFHSA-N 0 1 223.295 2.177 20 0 BEADMN Nc1ccnc(F)c1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001238150620 980178432 /nfs/dbraw/zinc/17/84/32/980178432.db2.gz UFZMXPXTNAHVMI-GHMZBOCLSA-N 0 1 249.333 2.425 20 0 BEADMN CCC1(COC(=O)c2[nH]cnc2C)CC1 ZINC001343675352 980184842 /nfs/dbraw/zinc/18/48/42/980184842.db2.gz SZSCCXJRUXIAFT-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2c(N)ccnc2F)C1 ZINC001238159164 980185624 /nfs/dbraw/zinc/18/56/24/980185624.db2.gz GVUXNRGSBVOGMX-UWVGGRQHSA-N 0 1 237.322 2.281 20 0 BEADMN CC1(C)CC[C@H](C(=O)Nc2cccnc2CN)C1 ZINC001185174661 980187366 /nfs/dbraw/zinc/18/73/66/980187366.db2.gz NUFCAWGPONXGBL-JTQLQIEISA-N 0 1 247.342 2.305 20 0 BEADMN OCC1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238185380 980213931 /nfs/dbraw/zinc/21/39/31/980213931.db2.gz PRWPQYRQLCUDEP-UHFFFAOYSA-N 0 1 246.354 2.163 20 0 BEADMN C[C@H]1CN(Cc2cncc(C3CC3)c2)CC[C@@H]1O ZINC001238182207 980215280 /nfs/dbraw/zinc/21/52/80/980215280.db2.gz PRQJNOKRKGXOGL-NHYWBVRUSA-N 0 1 246.354 2.162 20 0 BEADMN O=C([O-])[C@@H]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC001608619721 980249653 /nfs/dbraw/zinc/24/96/53/980249653.db2.gz VUHMZFGOVOMASC-ZJUUUORDSA-N 0 1 234.299 2.188 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001608748823 980274574 /nfs/dbraw/zinc/27/45/74/980274574.db2.gz UXPJDHHHSPEPJD-ZDUSSCGKSA-N 0 1 237.274 2.032 20 0 BEADMN Cc1cc(CN2CCC2)cnc1C1CC1 ZINC001238615395 980302237 /nfs/dbraw/zinc/30/22/37/980302237.db2.gz DJUXDJFYCFKJIY-UHFFFAOYSA-N 0 1 202.301 2.473 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1CCC=CCCC1 ZINC001344251581 980359632 /nfs/dbraw/zinc/35/96/32/980359632.db2.gz PBYNCHRSTQSUAB-CYBMUJFWSA-N 0 1 237.343 2.372 20 0 BEADMN COc1cnc(F)cc1-c1cncc2nc[nH]c21 ZINC001239036523 980421389 /nfs/dbraw/zinc/42/13/89/980421389.db2.gz RBKOEAFDBZJFOW-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnc(F)cc1-c1cncc2[nH]cnc21 ZINC001239036523 980421401 /nfs/dbraw/zinc/42/14/01/980421401.db2.gz RBKOEAFDBZJFOW-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN c1oc2ccccc2c1-c1cc2c(nn1)CNC2 ZINC001239057458 980427957 /nfs/dbraw/zinc/42/79/57/980427957.db2.gz UZUHYQCKFMVYMB-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN CC[C@H](C)NC(=O)Cc1ccc2nc[nH]c2c1 ZINC000074973498 980444861 /nfs/dbraw/zinc/44/48/61/980444861.db2.gz YLWVRRHAVFKOAB-VIFPVBQESA-N 0 1 231.299 2.020 20 0 BEADMN CC(C)(O)/C=C/c1cccc2cncn21 ZINC001239157703 980470660 /nfs/dbraw/zinc/47/06/60/980470660.db2.gz FCPSZJNVKQOLKG-VOTSOKGWSA-N 0 1 202.257 2.118 20 0 BEADMN CCCCCCOC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001239335703 980541670 /nfs/dbraw/zinc/54/16/70/980541670.db2.gz CHYDOLPUXHLKGW-RYUDHWBXSA-N 0 1 242.363 2.386 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2occ(C)c2C)n[nH]1 ZINC001345075866 980542340 /nfs/dbraw/zinc/54/23/40/980542340.db2.gz AGJNDTJQPOKNPJ-MRVPVSSYSA-N 0 1 249.270 2.241 20 0 BEADMN CCc1ncc(CNc2nc(C3CC3)ns2)[nH]1 ZINC001187739857 980546760 /nfs/dbraw/zinc/54/67/60/980546760.db2.gz LWWILYKBFIRLOE-UHFFFAOYSA-N 0 1 249.343 2.313 20 0 BEADMN Cc1ccc(OC(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 ZINC001239339494 980547164 /nfs/dbraw/zinc/54/71/64/980547164.db2.gz ZWSUAWKXTOSEMB-RYUDHWBXSA-N 0 1 248.326 2.176 20 0 BEADMN C[C@@H]1CN(C(=O)c2[nH]ncc2Cl)C2(CC2)C1 ZINC001187840497 980558524 /nfs/dbraw/zinc/55/85/24/980558524.db2.gz IIMFZTWADDKVIO-ZETCQYMHSA-N 0 1 239.706 2.078 20 0 BEADMN CNc1ccc(-c2cc(N)c(C)cn2)c(F)n1 ZINC001239409271 980565254 /nfs/dbraw/zinc/56/52/54/980565254.db2.gz SFQSCKGLVGRFJD-UHFFFAOYSA-N 0 1 232.262 2.215 20 0 BEADMN c1[nH]nnc1CN1CC=C(c2ccccc2)CC1 ZINC000335177812 980577176 /nfs/dbraw/zinc/57/71/76/980577176.db2.gz OJBNSFOFVVRZRK-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)c(C)n1 ZINC001239442341 980577355 /nfs/dbraw/zinc/57/73/55/980577355.db2.gz ULELJJFOJPKOQY-UHFFFAOYSA-N 0 1 239.282 2.292 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)cc1 ZINC001239478000 980617145 /nfs/dbraw/zinc/61/71/45/980617145.db2.gz RYCTXEADVLIIFG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc2nc[nH]c2cc1C1=CCOC1 ZINC001239481656 980626331 /nfs/dbraw/zinc/62/63/31/980626331.db2.gz PQYKTSCYGRIQTM-UHFFFAOYSA-N 0 1 200.241 2.285 20 0 BEADMN Cc1cccc2nc(NC(=O)c3ccc[nH]3)[nH]c21 ZINC001188566058 980662718 /nfs/dbraw/zinc/66/27/18/980662718.db2.gz MILLHXMJJPSJJE-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN O=C(C[C@H]1CCCC1(F)F)OCCN1CCC1 ZINC001345757712 980680316 /nfs/dbraw/zinc/68/03/16/980680316.db2.gz JRPQTJRKEYFGFX-SNVBAGLBSA-N 0 1 247.285 2.061 20 0 BEADMN CCc1ncsc1NC(=O)c1ccncc1O ZINC001188628015 980682236 /nfs/dbraw/zinc/68/22/36/980682236.db2.gz UWFFCEZBOHIWHU-UHFFFAOYSA-N 0 1 249.295 2.058 20 0 BEADMN O=c1ccc(Nc2ccc3cncn3c2)c[nH]1 ZINC001250324668 980764967 /nfs/dbraw/zinc/76/49/67/980764967.db2.gz WKEFAVUUTBAGDC-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN COC(=O)C[C@H]1CCCN(Cc2ccco2)C1 ZINC001203283666 980771295 /nfs/dbraw/zinc/77/12/95/980771295.db2.gz LRYHTYSDZKCBSH-LLVKDONJSA-N 0 1 237.299 2.055 20 0 BEADMN CCc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001239587482 980780712 /nfs/dbraw/zinc/78/07/12/980780712.db2.gz GEKQIRUZIRVZCK-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN C(=C/c1ncnc2c1CNC2)\c1ccccc1 ZINC001239591255 980786811 /nfs/dbraw/zinc/78/68/11/980786811.db2.gz UYEJFBLGIFYCKS-VOTSOKGWSA-N 0 1 223.279 2.250 20 0 BEADMN CC[C@@H](c1ccncc1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC001595364018 980789253 /nfs/dbraw/zinc/78/92/53/980789253.db2.gz MSSJELHQSJIFOM-LBPRGKRZSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ccccc1C[N@H+]1CCOC2(CC2)C1 ZINC001203708728 980811518 /nfs/dbraw/zinc/81/15/18/980811518.db2.gz OOWUBBGVZMWMIG-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN Cc1ccccc1CN1CCOC2(CC2)C1 ZINC001203708728 980811519 /nfs/dbraw/zinc/81/15/19/980811519.db2.gz OOWUBBGVZMWMIG-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN COc1ncc(-c2cccc3nc[nH]c32)cc1N ZINC001239634576 980821850 /nfs/dbraw/zinc/82/18/50/980821850.db2.gz KXEJBTGXVZGNRL-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001595370650 980843371 /nfs/dbraw/zinc/84/33/71/980843371.db2.gz AGXJXUDKCLNRNR-IQJOONFLSA-N 0 1 247.285 2.074 20 0 BEADMN c1cc2cc(-c3cc4c(nn3)CNC4)ccc2[nH]1 ZINC001239693130 980852892 /nfs/dbraw/zinc/85/28/92/980852892.db2.gz JELAPODWXCQXAM-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CC(C)c1ccccc1C(=O)N1CC(N(C)C)C1 ZINC001190239065 980861274 /nfs/dbraw/zinc/86/12/74/980861274.db2.gz LHBFZGKGRMVKHH-UHFFFAOYSA-N 0 1 246.354 2.196 20 0 BEADMN COc1ccc(-c2cncc3nc[nH]c32)cn1 ZINC001239724981 980876974 /nfs/dbraw/zinc/87/69/74/980876974.db2.gz BTLXAOJZVPCBKQ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ncn(-c2cc(F)cc3[nH]ccc32)c1N ZINC001203734605 980964461 /nfs/dbraw/zinc/96/44/61/980964461.db2.gz RUTFNNAIPZHYLC-UHFFFAOYSA-N 0 1 230.246 2.383 20 0 BEADMN COc1ncc(-c2ccc3nc[nH]c3c2)cn1 ZINC001239845702 980983917 /nfs/dbraw/zinc/98/39/17/980983917.db2.gz VKWXGYSEAOIAGS-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1cc2nc[nH]c2cn1 ZINC001239856911 980996562 /nfs/dbraw/zinc/99/65/62/980996562.db2.gz YXEUMUAGOFSDIA-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1cc2[nH]nnc2cc1F ZINC001239858224 980998622 /nfs/dbraw/zinc/99/86/22/980998622.db2.gz KTTHLPGZNGWGKV-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ncccc1-c1cncc2nc(C)[nH]c21 ZINC001239859250 981000513 /nfs/dbraw/zinc/00/05/13/981000513.db2.gz JIFVBUMNRIDWLH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001239859250 981000518 /nfs/dbraw/zinc/00/05/18/981000518.db2.gz JIFVBUMNRIDWLH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595408733 981001634 /nfs/dbraw/zinc/00/16/34/981001634.db2.gz MYJQFBFEIAMDGP-KOLCDFICSA-N 0 1 236.315 2.333 20 0 BEADMN NC(=O)c1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001239868106 981010836 /nfs/dbraw/zinc/01/08/36/981010836.db2.gz JYEKLUUNWCXNQV-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN Fc1cc(C2CC2)ccc1-c1nc[nH]n1 ZINC001347280943 981030250 /nfs/dbraw/zinc/03/02/50/981030250.db2.gz IFLYJJKMWLOURB-UHFFFAOYSA-N 0 1 203.220 2.488 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H](C)c2ccco2)c1C ZINC001347275098 981030852 /nfs/dbraw/zinc/03/08/52/981030852.db2.gz HGYORQNGIBPRGH-VIFPVBQESA-N 0 1 247.298 2.039 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1n[nH]c(C)c1C ZINC001347275678 981031754 /nfs/dbraw/zinc/03/17/54/981031754.db2.gz VYRHIILRFPDKFB-VQHVLOKHSA-N 0 1 235.331 2.389 20 0 BEADMN O=S(=O)(CC1CCCC1)Nc1ccco1 ZINC001191487769 981044612 /nfs/dbraw/zinc/04/46/12/981044612.db2.gz BXBDNHIHNTWFPD-UHFFFAOYSA-N 0 1 229.301 2.212 20 0 BEADMN O=S(=O)(CC1CCCC1)Nc1cscn1 ZINC001191489555 981045644 /nfs/dbraw/zinc/04/56/44/981045644.db2.gz MVRPNKULPBYTHQ-UHFFFAOYSA-N 0 1 246.357 2.075 20 0 BEADMN COC(=O)CCc1nc2c(cc(F)cc2C)[nH]1 ZINC001250428871 981065923 /nfs/dbraw/zinc/06/59/23/981065923.db2.gz OVHSUJNLCGWOHF-UHFFFAOYSA-N 0 1 236.246 2.116 20 0 BEADMN CC1(C)CC(=O)N1CN1CCC(C2CC2)CC1 ZINC001347528985 981108862 /nfs/dbraw/zinc/10/88/62/981108862.db2.gz PBCCYJGNOCYFBJ-UHFFFAOYSA-N 0 1 236.359 2.077 20 0 BEADMN C=C/C(C)=C/CC(=O)NCc1n[nH]c(C)c1C ZINC001347613150 981128580 /nfs/dbraw/zinc/12/85/80/981128580.db2.gz FAINCUBIGWOUQC-RMKNXTFCSA-N 0 1 233.315 2.165 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)NCc1n[nH]c(C)c1C ZINC001347614439 981129645 /nfs/dbraw/zinc/12/96/45/981129645.db2.gz SGZARDAICLSTMC-RKDXNWHRSA-N 0 1 237.347 2.325 20 0 BEADMN c1cn2cc(-c3cc4[nH]cnc4cn3)ccc2n1 ZINC001240215264 981164859 /nfs/dbraw/zinc/16/48/59/981164859.db2.gz WJXBNXRRUPUMGI-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C[C@H]1[C@H](C)[N@H+](Cc2cccn2C2CC2)CCN1C ZINC001347782926 981171743 /nfs/dbraw/zinc/17/17/43/981171743.db2.gz VYNUYYUMIBTLFN-STQMWFEESA-N 0 1 247.386 2.347 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1c(O)ccc(F)c1F ZINC001192718292 981186997 /nfs/dbraw/zinc/18/69/97/981186997.db2.gz VTDQGHPRJSHUBT-SSDOTTSWSA-N 0 1 243.253 2.445 20 0 BEADMN Fc1cncc(-c2nccc3[nH]cnc32)c1 ZINC001240233502 981187929 /nfs/dbraw/zinc/18/79/29/981187929.db2.gz TVMKSAFGQDDUAV-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1cc(-c2cc(N(C)C)ccn2)ccn1 ZINC001240255320 981227566 /nfs/dbraw/zinc/22/75/66/981227566.db2.gz CAEDHELTTQBOEX-UHFFFAOYSA-N 0 1 229.283 2.218 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1cnn(C)c1 ZINC001240295500 981245646 /nfs/dbraw/zinc/24/56/46/981245646.db2.gz WUAQUMLVDVMHMV-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC1(C)CN(c2nccnc2CN)CC(C)(C)C1 ZINC001348095913 981279466 /nfs/dbraw/zinc/27/94/66/981279466.db2.gz BZINBNPNTHCJDP-UHFFFAOYSA-N 0 1 248.374 2.198 20 0 BEADMN c1nc2ccc(-c3ccc4cncn4c3)cn2n1 ZINC001240355183 981311743 /nfs/dbraw/zinc/31/17/43/981311743.db2.gz IZQZUDUFPSUUFN-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CN(C)Cc1cc(-c2cncnc2)ccc1F ZINC001240379089 981315485 /nfs/dbraw/zinc/31/54/85/981315485.db2.gz LFQLCZGIIIOVPD-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN Cc1cc2[nH]cnc2cc1-c1cncnc1 ZINC001240373574 981322143 /nfs/dbraw/zinc/32/21/43/981322143.db2.gz CFQWBOTUCNNUJQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cncc(CN2CCCCC23CC3)n1 ZINC001203173885 981323322 /nfs/dbraw/zinc/32/33/22/981323322.db2.gz VSIOJIBNMLSIHO-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN CN(C)Cc1ccc(-c2cncnc2)cc1F ZINC001240378625 981334539 /nfs/dbraw/zinc/33/45/39/981334539.db2.gz IDVSDKOPVQOBJC-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CCCCCN1CCN(C(=O)OC(C)C)CC1 ZINC001193477379 981345993 /nfs/dbraw/zinc/34/59/93/981345993.db2.gz ZDVTZGPPZHINOE-UHFFFAOYSA-N 0 1 242.363 2.339 20 0 BEADMN NCc1ncc(-c2ccc3occc3c2)cn1 ZINC001240425547 981373769 /nfs/dbraw/zinc/37/37/69/981373769.db2.gz FFXKGVQOZNZJKS-UHFFFAOYSA-N 0 1 225.251 2.349 20 0 BEADMN CC[C@@H]1CCN(Cc2nnc(C)s2)[C@H]1C ZINC001193607018 981399017 /nfs/dbraw/zinc/39/90/17/981399017.db2.gz RVVVTMNZKAIMDR-WCBMZHEXSA-N 0 1 225.361 2.467 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC1CC2(CC2)C1 ZINC001348598110 981404083 /nfs/dbraw/zinc/40/40/83/981404083.db2.gz KWDPICWYZHIIHZ-GFCCVEGCSA-N 0 1 237.343 2.345 20 0 BEADMN CCCCCOC(=O)N1CCN(C(C)C)CC1 ZINC001193739627 981420696 /nfs/dbraw/zinc/42/06/96/981420696.db2.gz JOAMDHVHOYUHJL-UHFFFAOYSA-N 0 1 242.363 2.339 20 0 BEADMN c1nc2c(ccnc2-c2cnn(CC3CC3)c2)[nH]1 ZINC001240509926 981433744 /nfs/dbraw/zinc/43/37/44/981433744.db2.gz VHCNVHJMCNXGDR-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN C[C@H](NC(=O)c1ccc(F)c(O)c1F)C1CC1 ZINC001193788768 981440289 /nfs/dbraw/zinc/44/02/89/981440289.db2.gz FKADLPNLEUJNGY-LURJTMIESA-N 0 1 241.237 2.199 20 0 BEADMN CCCCCOC(=O)N1CCN(CC)[C@H](C)C1 ZINC001193765436 981447432 /nfs/dbraw/zinc/44/74/32/981447432.db2.gz YVOQEFHOXIAOEC-GFCCVEGCSA-N 0 1 242.363 2.339 20 0 BEADMN COCCn1cc(-c2cncc3cc[nH]c32)cn1 ZINC001240630060 981521267 /nfs/dbraw/zinc/52/12/67/981521267.db2.gz LHQKBIRYTSHDNN-UHFFFAOYSA-N 0 1 242.282 2.073 20 0 BEADMN CC(C)=Cc1ccccc1C(=O)N1CCNCC1 ZINC001240640099 981534233 /nfs/dbraw/zinc/53/42/33/981534233.db2.gz SCPYWVRRMSDEDO-UHFFFAOYSA-N 0 1 244.338 2.155 20 0 BEADMN Cc1cc(O)ccc1-c1nc(F)nc2nc[nH]c21 ZINC001240640126 981534285 /nfs/dbraw/zinc/53/42/85/981534285.db2.gz PVMGHBGAYSHRDR-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CCCN(CCCOCC)[C@H](C)C(=O)OCC ZINC001194032075 981535166 /nfs/dbraw/zinc/53/51/66/981535166.db2.gz YNPYDKKHLGAGJV-GFCCVEGCSA-N 0 1 245.363 2.077 20 0 BEADMN Cc1ccc(-c2noc(CNCC(C)C)n2)cn1 ZINC001349330802 981535890 /nfs/dbraw/zinc/53/58/90/981535890.db2.gz OGZSXMJHQIASEO-UHFFFAOYSA-N 0 1 246.314 2.186 20 0 BEADMN CCC[C@H](C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1)OC ZINC001595590681 981546347 /nfs/dbraw/zinc/54/63/47/981546347.db2.gz CHSSSYSMTLXFIN-CMPLNLGQSA-N 0 1 243.347 2.129 20 0 BEADMN COC[C@H]1C[N@@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC001349648865 981606125 /nfs/dbraw/zinc/60/61/25/981606125.db2.gz PHVANUCAJOWKRU-QWHCGFSZSA-N 0 1 243.391 2.406 20 0 BEADMN Oc1ccc(F)cc1-c1cncc2nc[nH]c21 ZINC001240697472 981610220 /nfs/dbraw/zinc/61/02/20/981610220.db2.gz OYUOWUQGAMBXSR-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCn1nccc1-c1ccc2cncn2c1 ZINC001240699624 981623903 /nfs/dbraw/zinc/62/39/03/981623903.db2.gz JNVFEQGSHCGNAZ-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001240716859 981734629 /nfs/dbraw/zinc/73/46/29/981734629.db2.gz FRRJYJYMWLPMMZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001240716859 981734667 /nfs/dbraw/zinc/73/46/67/981734667.db2.gz FRRJYJYMWLPMMZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ncccc1-c1cncc2nc[nH]c21 ZINC001240723369 981758308 /nfs/dbraw/zinc/75/83/08/981758308.db2.gz FBDHGJXGTWUXKL-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCO[C@@](C)(CC)C1 ZINC001595628020 981779671 /nfs/dbraw/zinc/77/96/71/981779671.db2.gz GKGIVSQADOPWQL-YPMHNXCESA-N 0 1 243.347 2.131 20 0 BEADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1C[C@@H]1F ZINC001349846824 981789412 /nfs/dbraw/zinc/78/94/12/981789412.db2.gz NPJIZELNSXIKPB-NJGYIYPDSA-N 0 1 247.628 2.481 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001595628987 981794094 /nfs/dbraw/zinc/79/40/94/981794094.db2.gz UCLQEBFVOXRBAL-GXSJLCMTSA-N 0 1 247.285 2.361 20 0 BEADMN CCO[C@H](C)n1cc(-c2cc(N)ccn2)cn1 ZINC001240749110 981804842 /nfs/dbraw/zinc/80/48/42/981804842.db2.gz FICIVXTVTDZCJH-SECBINFHSA-N 0 1 232.287 2.082 20 0 BEADMN CCO[C@@H](C)n1cc(-c2cc(N)c(C)cn2)cn1 ZINC001240752579 981805490 /nfs/dbraw/zinc/80/54/90/981805490.db2.gz JBYKAQVPVKEDEG-JTQLQIEISA-N 0 1 246.314 2.391 20 0 BEADMN CCCC[C@@H](CC)C(=O)NCc1cc(N)ccn1 ZINC001349908063 981809573 /nfs/dbraw/zinc/80/95/73/981809573.db2.gz HTSIVHOXXWLMGL-LLVKDONJSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1cc(CCC(=O)N2CCC23CCCC3)n[nH]1 ZINC001583739183 981834345 /nfs/dbraw/zinc/83/43/45/981834345.db2.gz NNFCPUQTDYKPIT-UHFFFAOYSA-N 0 1 247.342 2.196 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595631556 981840036 /nfs/dbraw/zinc/84/00/36/981840036.db2.gz UQFGGODNXSHRHA-GUBZILKMSA-N 0 1 249.301 2.463 20 0 BEADMN C=Cc1nc(C(C)(C)C)nc2nc[nH]c21 ZINC001240827935 981866489 /nfs/dbraw/zinc/86/64/89/981866489.db2.gz GLAQPHCELVYHFE-UHFFFAOYSA-N 0 1 202.261 2.245 20 0 BEADMN CC[C@H](C)COC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001194786236 981877332 /nfs/dbraw/zinc/87/73/32/981877332.db2.gz FAHZNLUKUNRYIA-SDDRHHMPSA-N 0 1 242.363 2.194 20 0 BEADMN CCCC[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)[O-] ZINC001595637249 981928297 /nfs/dbraw/zinc/92/82/97/981928297.db2.gz AKFAZTWINOSXPT-IUCAKERBSA-N 0 1 242.344 2.437 20 0 BEADMN C[C@H](c1cccs1)N(C)Cc1nnc[nH]1 ZINC001350359074 981943638 /nfs/dbraw/zinc/94/36/38/981943638.db2.gz PTVSPYXWVSEZKA-MRVPVSSYSA-N 0 1 222.317 2.059 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CC[C@@H](C)C2)c1C ZINC001350388892 981958263 /nfs/dbraw/zinc/95/82/63/981958263.db2.gz PUHOUCHWCQLTHP-LDYMZIIASA-N 0 1 235.331 2.079 20 0 BEADMN Oc1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001240924287 981990752 /nfs/dbraw/zinc/99/07/52/981990752.db2.gz XSDJISFNHRAPCI-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN c1nc2cccc(-c3cnn4cccnc34)c2[nH]1 ZINC001240927999 981999769 /nfs/dbraw/zinc/99/97/69/981999769.db2.gz PCYJKNNFTUQDFL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cc2cncc(-c3cnn4cccnc34)c2[nH]1 ZINC001240928625 982002214 /nfs/dbraw/zinc/00/22/14/982002214.db2.gz CFTTVJGCNHLZMC-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cnc2cccc(-c3cc4c(nn3)CNC4)c2c1 ZINC001240936726 982010038 /nfs/dbraw/zinc/01/00/38/982010038.db2.gz JOZSSXQVXZPJRP-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCCC[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001350611520 982024089 /nfs/dbraw/zinc/02/40/89/982024089.db2.gz VCDVLBFTCAUIPV-SECBINFHSA-N 0 1 242.344 2.266 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@@H]1C ZINC001586882312 982032333 /nfs/dbraw/zinc/03/23/33/982032333.db2.gz QJJHCYHDZRGHGR-MRTMQBJTSA-N 0 1 239.294 2.103 20 0 BEADMN NCc1ncc(-c2ccc(F)c(F)c2F)cn1 ZINC001240991063 982078749 /nfs/dbraw/zinc/07/87/49/982078749.db2.gz SSMDZQWKYYPIJN-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN Cc1c[nH+]c(-c2ccccc2[O-])cc1N ZINC001241007660 982095392 /nfs/dbraw/zinc/09/53/92/982095392.db2.gz HIXZMJXPQZJELG-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN Cc1ccc(-c2cc(N)ccn2)c(O)c1 ZINC001241027987 982125224 /nfs/dbraw/zinc/12/52/24/982125224.db2.gz HHCNJTMHZNRXQE-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001594873057 982191721 /nfs/dbraw/zinc/19/17/21/982191721.db2.gz IXACKKBTFBBFMX-QCNOEVLYSA-N 0 1 225.332 2.360 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCCSC ZINC001594874352 982200758 /nfs/dbraw/zinc/20/07/58/982200758.db2.gz BRMFHELNYRDUAI-ZJUUUORDSA-N 0 1 233.377 2.171 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001594875568 982210156 /nfs/dbraw/zinc/21/01/56/982210156.db2.gz HHIDHMPJMMHEJR-ZRUFSTJUSA-N 0 1 231.311 2.166 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H]1C ZINC001594876135 982211663 /nfs/dbraw/zinc/21/16/63/982211663.db2.gz KFPCBVMUIBWFSN-XWLWVQCSSA-N 0 1 213.321 2.216 20 0 BEADMN O=c1[nH]cccc1-c1ccc2cncn2c1 ZINC001241112429 982223943 /nfs/dbraw/zinc/22/39/43/982223943.db2.gz MLHIKNYDWJYYEZ-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN O=c1[nH]cccc1-c1cncc2cc[nH]c21 ZINC001241112939 982224083 /nfs/dbraw/zinc/22/40/83/982224083.db2.gz YLABJKHMPXASEB-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594881078 982233957 /nfs/dbraw/zinc/23/39/57/982233957.db2.gz MGYMNVLOPCRLMT-NOOOWODRSA-N 0 1 227.348 2.464 20 0 BEADMN COc1nccnc1-c1c(F)cc(O)cc1F ZINC001241117464 982236840 /nfs/dbraw/zinc/23/68/40/982236840.db2.gz PPNAFTIZHYOPKJ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN CCOc1ccc(C)cc1-c1cnc(CN)nc1 ZINC001241146027 982281930 /nfs/dbraw/zinc/28/19/30/982281930.db2.gz HOACZXAFBUAKBR-UHFFFAOYSA-N 0 1 243.310 2.309 20 0 BEADMN CCCCC[N@@H+](C)[C@H](COC1CCC1)C(=O)[O-] ZINC001595716087 982319117 /nfs/dbraw/zinc/31/91/17/982319117.db2.gz PUEHOQCDSOJOPP-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN Fc1cnccc1-c1ccc2nn[nH]c2c1 ZINC001241225961 982369242 /nfs/dbraw/zinc/36/92/42/982369242.db2.gz FETBHTYHLQUCER-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cnccc1-c1ccc2[nH]nnc2c1 ZINC001241225961 982369248 /nfs/dbraw/zinc/36/92/48/982369248.db2.gz FETBHTYHLQUCER-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Oc1cc(F)cc(-c2nccc3[nH]cnc32)c1 ZINC001241257031 982393994 /nfs/dbraw/zinc/39/39/94/982393994.db2.gz FKGLCODGJRUIGY-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC001595749047 982419219 /nfs/dbraw/zinc/41/92/19/982419219.db2.gz BJGUXFULOLOPEK-UHFFFAOYSA-N 0 1 236.315 2.477 20 0 BEADMN CC(C)c1cc(C2=CCN(C)CC2)ncn1 ZINC001241308126 982450722 /nfs/dbraw/zinc/45/07/22/982450722.db2.gz IGSXVWDNRYDMTK-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN Cc1ccnc(C2=CCN(C)CC2)c1F ZINC001241308566 982450847 /nfs/dbraw/zinc/45/08/47/982450847.db2.gz LAHIVEYYBSKWNO-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCCc1ccnc(C2=CCN(C)CC2)n1 ZINC001241311255 982456873 /nfs/dbraw/zinc/45/68/73/982456873.db2.gz SAUMIHARUHPYKM-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CCO/C=C\c1nccnc1C1=CCN(C)CC1 ZINC001241313332 982461373 /nfs/dbraw/zinc/46/13/73/982461373.db2.gz YKURNFATZYZMLT-WDZFZDKYSA-N 0 1 245.326 2.203 20 0 BEADMN COC(=O)c1ccc(F)c(C2=CCN(C)CC2)c1 ZINC001241317973 982471617 /nfs/dbraw/zinc/47/16/17/982471617.db2.gz VWCQOWCJELTPKP-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CC(=O)Oc1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241322002 982480921 /nfs/dbraw/zinc/48/09/21/982480921.db2.gz GFDMHIMVRPOINV-UHFFFAOYSA-N 0 1 231.295 2.331 20 0 BEADMN CN1CC=C(c2cncnc2C2CC2)CC1 ZINC001241327091 982488300 /nfs/dbraw/zinc/48/83/00/982488300.db2.gz FJNANXYBYPRGOQ-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CN1CC=C(c2cnc(OC3CCC3)cn2)CC1 ZINC001241330637 982492571 /nfs/dbraw/zinc/49/25/71/982492571.db2.gz WOQYFPGKNLJEMW-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN COc1nc(OC)c(C2=CCN(C)CC2)cc1C ZINC001241332567 982497327 /nfs/dbraw/zinc/49/73/27/982497327.db2.gz LNUVRUHXPFPJET-UHFFFAOYSA-N 0 1 248.326 2.126 20 0 BEADMN O=C([O-])c1cccc(-c2cc[nH+]c3c2CCN3)c1 ZINC001241361845 982518052 /nfs/dbraw/zinc/51/80/52/982518052.db2.gz IQQOPVSMMLJRNL-UHFFFAOYSA-N 0 1 240.262 2.415 20 0 BEADMN COc1ncc(C)cc1-c1cncc2nc[nH]c21 ZINC001241363745 982522414 /nfs/dbraw/zinc/52/24/14/982522414.db2.gz LHXZKCLCMMAROY-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(C)cc1-c1cncc2[nH]cnc21 ZINC001241363745 982522418 /nfs/dbraw/zinc/52/24/18/982522418.db2.gz LHXZKCLCMMAROY-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)c1ccc(-c2ccc3cncn3c2)cn1 ZINC001241370006 982533298 /nfs/dbraw/zinc/53/32/98/982533298.db2.gz JWGSNUABHPMSBL-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN COc1ncc(-c2ccc(CN(C)C)cn2)s1 ZINC001241411777 982558296 /nfs/dbraw/zinc/55/82/96/982558296.db2.gz NTGIGCWRUILHRN-UHFFFAOYSA-N 0 1 249.339 2.275 20 0 BEADMN CC(C)[C@@H]1CCC[C@H]1NCc1csnn1 ZINC001352879721 982617924 /nfs/dbraw/zinc/61/79/24/982617924.db2.gz ZHEKEOIWXBWOGX-WDEREUQCSA-N 0 1 225.361 2.452 20 0 BEADMN OCc1cccc(-c2ccc3cncn3c2)c1 ZINC001241509230 982664737 /nfs/dbraw/zinc/66/47/37/982664737.db2.gz WNAZZVCQCFXMEN-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H](C)C2(C)CC2)o1 ZINC001198398655 982722036 /nfs/dbraw/zinc/72/20/36/982722036.db2.gz ZLFQOTASMUPWNH-HTQZYQBOSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H](C)C2(C)CC2)o1 ZINC001198398658 982722074 /nfs/dbraw/zinc/72/20/74/982722074.db2.gz ZLFQOTASMUPWNH-YUMQZZPRSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H]1CCc2c(C(=O)N[C@H]3CC34CCC4)[nH]nc21 ZINC001198464841 982733992 /nfs/dbraw/zinc/73/39/92/982733992.db2.gz WEOXFNYVZSQWGB-WPRPVWTQSA-N 0 1 245.326 2.132 20 0 BEADMN CCC=CNC(=O)c1[nH]nc2c1CC[C@@H]2C ZINC001198461170 982735332 /nfs/dbraw/zinc/73/53/32/982735332.db2.gz AXESOYBVCDTAGU-IPWDFOCMSA-N 0 1 219.288 2.113 20 0 BEADMN CC[C@@H](CC(=O)NCc1cc(N)ccn1)C(C)C ZINC001353163194 982738707 /nfs/dbraw/zinc/73/87/07/982738707.db2.gz TUJMAKGHMHMOFC-NSHDSACASA-N 0 1 249.358 2.352 20 0 BEADMN OCc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001241555474 982775395 /nfs/dbraw/zinc/77/53/95/982775395.db2.gz FEIBDFRMDIUALX-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1C ZINC001589441879 982787658 /nfs/dbraw/zinc/78/76/58/982787658.db2.gz XNLHGVSPHJPSEG-ZDUSSCGKSA-N 0 1 235.327 2.333 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC001589443283 982787697 /nfs/dbraw/zinc/78/76/97/982787697.db2.gz HWLCPPCIVVHLKZ-ZDUSSCGKSA-N 0 1 249.310 2.184 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+](C)Cc1c(C)nsc1C ZINC001589440833 982790083 /nfs/dbraw/zinc/79/00/83/982790083.db2.gz BHHBKFJUOXUSCB-SNVBAGLBSA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(C)nsc1C ZINC001589440833 982790091 /nfs/dbraw/zinc/79/00/91/982790091.db2.gz BHHBKFJUOXUSCB-SNVBAGLBSA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC001589443282 982790871 /nfs/dbraw/zinc/79/08/71/982790871.db2.gz HWLCPPCIVVHLKZ-CYBMUJFWSA-N 0 1 249.310 2.184 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(=O)C(C)(C)C)CC(=O)[O-] ZINC001594983999 982792013 /nfs/dbraw/zinc/79/20/13/982792013.db2.gz XWZBBXFLKHJFCU-JTQLQIEISA-N 0 1 243.347 2.177 20 0 BEADMN CC(C)(C)/C=C/c1ncc2c(n1)CNC2 ZINC001241562967 982793312 /nfs/dbraw/zinc/79/33/12/982793312.db2.gz KVGJWXYYVRHOTO-SNAWJCMRSA-N 0 1 203.289 2.139 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC001589445512 982793981 /nfs/dbraw/zinc/79/39/81/982793981.db2.gz QWRWOGUVGQNQKK-CHWSQXEVSA-N 0 1 248.326 2.124 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC001589444768 982797124 /nfs/dbraw/zinc/79/71/24/982797124.db2.gz FGBIWXFSDUXBQA-YPMHNXCESA-N 0 1 248.326 2.043 20 0 BEADMN CN1CCC=C(c2ncc3sccc3n2)C1 ZINC001241564842 982802426 /nfs/dbraw/zinc/80/24/26/982802426.db2.gz DAPXWFMFVVPAOI-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CN1CCC=C(c2ncnc3ccsc32)C1 ZINC001241565753 982804584 /nfs/dbraw/zinc/80/45/84/982804584.db2.gz OOMJSPSTHGKFJJ-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CCOc1ccc(C2=CCCN(C)C2)nc1 ZINC001241565265 982806732 /nfs/dbraw/zinc/80/67/32/982806732.db2.gz IPCNIMPVCMNRGY-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CC(C)c1nccc(C2=CCCN(C)C2)n1 ZINC001241566083 982808873 /nfs/dbraw/zinc/80/88/73/982808873.db2.gz UJWIFLYXLLHSJN-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CCC=C(c2ncnc3sccc32)C1 ZINC001241566558 982809736 /nfs/dbraw/zinc/80/97/36/982809736.db2.gz ZCQXJUGTWXYYRP-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CN1CCC=C(c2cnc3c(n2)CCCC3)C1 ZINC001241568185 982813289 /nfs/dbraw/zinc/81/32/89/982813289.db2.gz CTWHOJAVOPSWMW-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CCOc1cc(C2=CCCN(C)C2)cnc1F ZINC001241572337 982827008 /nfs/dbraw/zinc/82/70/08/982827008.db2.gz XFPZXJZWQYVALG-UHFFFAOYSA-N 0 1 236.290 2.338 20 0 BEADMN OC1(CN[C@@H]2C[C@]2(F)c2ccccc2)CCC1 ZINC001353309288 982831711 /nfs/dbraw/zinc/83/17/11/982831711.db2.gz DRWLGBXRAKGIAP-OCCSQVGLSA-N 0 1 235.302 2.128 20 0 BEADMN CC/C=C/CC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589627669 982850900 /nfs/dbraw/zinc/85/09/00/982850900.db2.gz ZLJMUWNARXJIJY-GKUNOOHESA-N 0 1 225.332 2.385 20 0 BEADMN Fc1ccc(C[N@@H+]2CCc3nccn3CC2)cc1 ZINC001203918113 982853716 /nfs/dbraw/zinc/85/37/16/982853716.db2.gz VCKHQMNCGCITNT-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Fc1ccc(CN2CCc3nccn3CC2)cc1 ZINC001203918113 982853717 /nfs/dbraw/zinc/85/37/17/982853717.db2.gz VCKHQMNCGCITNT-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CSc1ncc(-c2cc3nc[nH]c3cn2)cn1 ZINC001241625487 982861758 /nfs/dbraw/zinc/86/17/58/982861758.db2.gz JBFXECQPXPMPNS-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN COc1ccc(-c2ccc3c(c2)n[nH]c3C)nn1 ZINC001241637362 982873571 /nfs/dbraw/zinc/87/35/71/982873571.db2.gz ZERIRKOBFRSJQU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@@H](C)C(=O)[O-] ZINC001589736808 982878720 /nfs/dbraw/zinc/87/87/20/982878720.db2.gz RCCPOMCUCFSQMS-JTQLQIEISA-N 0 1 249.310 2.184 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)c(F)cn1 ZINC001241663628 982896469 /nfs/dbraw/zinc/89/64/69/982896469.db2.gz FTDSOWBWPIXPKR-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)c(F)cn1 ZINC001241663628 982896472 /nfs/dbraw/zinc/89/64/72/982896472.db2.gz FTDSOWBWPIXPKR-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1[nH]nc2ccc(-c3cccc(=O)n3C)cc12 ZINC001241669303 982908412 /nfs/dbraw/zinc/90/84/12/982908412.db2.gz NYDWURQONZPYCH-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CN(C)c1ncc(C[N@H+]2CC[C@@H](CF)C2)s1 ZINC001353607698 982923135 /nfs/dbraw/zinc/92/31/35/982923135.db2.gz XBFPWQMKOXNODI-VIFPVBQESA-N 0 1 243.351 2.001 20 0 BEADMN Cc1ncc(F)c(-c2ccc3[nH]cnc3c2)n1 ZINC001241685441 982937132 /nfs/dbraw/zinc/93/71/32/982937132.db2.gz KMLQJPJYWUSUJD-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Fc1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001241685531 982937162 /nfs/dbraw/zinc/93/71/62/982937162.db2.gz OZCPGPFKBKDPAI-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN c1cc2c(-c3ccc4[nH]cnc4c3)ncnn2c1 ZINC001241697751 982952652 /nfs/dbraw/zinc/95/26/52/982952652.db2.gz JTOWHTBPYLEFHE-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cn2c(cncc2-c2ccc3nc[nH]c3c2)n1 ZINC001241696443 982953665 /nfs/dbraw/zinc/95/36/65/982953665.db2.gz HDJSKZDHCOZBCI-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCOc1cnc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241703649 982961788 /nfs/dbraw/zinc/96/17/88/982961788.db2.gz UZNWPJLIKSBUAF-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN c1nc2cc(-c3cncc4nnoc43)ccc2[nH]1 ZINC001241707641 982965036 /nfs/dbraw/zinc/96/50/36/982965036.db2.gz QGQYQIMLQILCCC-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN COc1nc(C2=CCCCC2)nc2[nH]cnc21 ZINC001241715441 982977106 /nfs/dbraw/zinc/97/71/06/982977106.db2.gz RJWFDYXRNUCCPG-UHFFFAOYSA-N 0 1 230.271 2.319 20 0 BEADMN c1nc(C2=CCCCC2)nc2c1CNC2 ZINC001241715309 982978652 /nfs/dbraw/zinc/97/86/52/982978652.db2.gz XIORVBXTCPCOJV-UHFFFAOYSA-N 0 1 201.273 2.037 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001472028497 983013698 /nfs/dbraw/zinc/01/36/98/983013698.db2.gz FJYUWGLCHDSHJI-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN Nc1n[nH]c2ccc(-c3cccn4cncc34)cc12 ZINC001241728826 983016472 /nfs/dbraw/zinc/01/64/72/983016472.db2.gz CORZRAFNWYZZQU-UHFFFAOYSA-N 0 1 249.277 2.460 20 0 BEADMN OCc1cc(-c2[nH]ccc3ncnc2-3)ccc1F ZINC001241777056 983044349 /nfs/dbraw/zinc/04/43/49/983044349.db2.gz ZYXPHXJARFITMI-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cc(-c2nccc3[nH]cnc32)ccc1F ZINC001241777056 983044355 /nfs/dbraw/zinc/04/43/55/983044355.db2.gz ZYXPHXJARFITMI-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN c1nc2c(ccnc2-c2cscn2)[nH]1 ZINC001241887828 983102059 /nfs/dbraw/zinc/10/20/59/983102059.db2.gz SYNHBERCJRQBCB-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN CN(C)Cc1ccc(-c2cscn2)nc1 ZINC001241889018 983103756 /nfs/dbraw/zinc/10/37/56/983103756.db2.gz UIPBEFGNPPIIBX-UHFFFAOYSA-N 0 1 219.313 2.267 20 0 BEADMN c1cc(-c2ccc3nn[nH]c3c2)nc(C2CC2)n1 ZINC001241938314 983152204 /nfs/dbraw/zinc/15/22/04/983152204.db2.gz NHSVQKBVOYSLCG-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN Cc1ncccc1-c1ccc2[nH]nnc2c1 ZINC001241940281 983154921 /nfs/dbraw/zinc/15/49/21/983154921.db2.gz BANHJTGNXSYXPS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ncccc1-c1ccc2nn[nH]c2c1 ZINC001241940281 983154929 /nfs/dbraw/zinc/15/49/29/983154929.db2.gz BANHJTGNXSYXPS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1cncc(-c2ccc3[nH]nnc3c2)c1C ZINC001241940255 983156466 /nfs/dbraw/zinc/15/64/66/983156466.db2.gz ALMMSCPMTZQAFX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cncc(-c2ccc3nn[nH]c3c2)c1C ZINC001241940255 983156471 /nfs/dbraw/zinc/15/64/71/983156471.db2.gz ALMMSCPMTZQAFX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cnc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241942368 983159225 /nfs/dbraw/zinc/15/92/25/983159225.db2.gz QORCVQKNXIWORU-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Fc1cc(F)nc(-c2ccc3nn[nH]c3c2)c1 ZINC001241941337 983159485 /nfs/dbraw/zinc/15/94/85/983159485.db2.gz JDLLMDMUJTUDEI-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)nc1F ZINC001241941348 983161107 /nfs/dbraw/zinc/16/11/07/983161107.db2.gz XCTCNNZSYOZDBW-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)nc1F ZINC001241941348 983161112 /nfs/dbraw/zinc/16/11/12/983161112.db2.gz XCTCNNZSYOZDBW-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN c1cc2c(c(-c3ccc4[nH]nnc4c3)c1)OCO2 ZINC001241942064 983161888 /nfs/dbraw/zinc/16/18/88/983161888.db2.gz NLARLQWHPDAZGG-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN c1cc2c(c(-c3ccc4nn[nH]c4c3)c1)OCO2 ZINC001241942064 983161893 /nfs/dbraw/zinc/16/18/93/983161893.db2.gz NLARLQWHPDAZGG-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN CC[C@H](CC(F)(F)F)Nc1nccnc1CN ZINC001354162547 983179923 /nfs/dbraw/zinc/17/99/23/983179923.db2.gz BMJLWGFIBSASBE-SSDOTTSWSA-N 0 1 248.252 2.078 20 0 BEADMN CC(C)[C@H](O)CCNCc1cnc(C2CC2)o1 ZINC001200581406 983179976 /nfs/dbraw/zinc/17/99/76/983179976.db2.gz RWGBNOXMYUETLP-GFCCVEGCSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1cncnc1N=C1CCSCC1 ZINC001201333933 983189536 /nfs/dbraw/zinc/18/95/36/983189536.db2.gz MUOGAWJBJDHUKC-UHFFFAOYSA-N 0 1 207.302 2.218 20 0 BEADMN C=Cc1ccccc1-c1ncnc2c1CNC2 ZINC001241999045 983189837 /nfs/dbraw/zinc/18/98/37/983189837.db2.gz DDMWPKPEPCDFMJ-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN CCc1nc(CNc2cc(Cl)ccn2)n[nH]1 ZINC001354205111 983192399 /nfs/dbraw/zinc/19/23/99/983192399.db2.gz WETHPFWBTILTST-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN C=Cc1ccccc1-c1ncc2c(n1)CNC2 ZINC001242001009 983192764 /nfs/dbraw/zinc/19/27/64/983192764.db2.gz ZEORMYQQCANYQH-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN CN(C)Cc1cccc(-c2ncc[nH]2)c1F ZINC001242019460 983226995 /nfs/dbraw/zinc/22/69/95/983226995.db2.gz YQSCOQSHUPIRSB-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN CN1CCc2c(F)cc(-c3ncc[nH]3)cc2C1 ZINC001242019829 983227124 /nfs/dbraw/zinc/22/71/24/983227124.db2.gz LYAJRJPZPFYDAQ-UHFFFAOYSA-N 0 1 231.274 2.204 20 0 BEADMN COc1nc(C(C)C)ccc1-n1cnc(C)c1N ZINC001201436870 983241013 /nfs/dbraw/zinc/24/10/13/983241013.db2.gz JQVUXWLKOZAAAH-UHFFFAOYSA-N 0 1 246.314 2.290 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CC(=O)N[C@@H](C)C1 ZINC001201485821 983255712 /nfs/dbraw/zinc/25/57/12/983255712.db2.gz KNDBXLXNKZUBDJ-OLZOCXBDSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1nc2cccc(-c3ccnnc3)c2[nH]1 ZINC001242058668 983268425 /nfs/dbraw/zinc/26/84/25/983268425.db2.gz IQUGSRMLUMFMLP-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN O=c1ccc(-c2cc(N3CCCC3)ccn2)c[nH]1 ZINC001242062762 983280287 /nfs/dbraw/zinc/28/02/87/983280287.db2.gz YFGKPJMPLYBJHZ-UHFFFAOYSA-N 0 1 241.294 2.449 20 0 BEADMN CC(C)CN1CCO[C@@H](c2ccncc2)C1 ZINC001201478486 983280682 /nfs/dbraw/zinc/28/06/82/983280682.db2.gz MWNFGFNOAKQORX-CYBMUJFWSA-N 0 1 220.316 2.111 20 0 BEADMN CCCC[C@@H](O)CNc1cc(C)ccn1 ZINC001252077680 983283540 /nfs/dbraw/zinc/28/35/40/983283540.db2.gz IEIYDKGCCNPYMX-LLVKDONJSA-N 0 1 208.305 2.353 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1ccnnc1 ZINC001242064215 983285130 /nfs/dbraw/zinc/28/51/30/983285130.db2.gz DMQWQWJONROAON-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CN(C)C=Cc1ccncc1-c1ccc(=O)[nH]c1 ZINC001242066311 983292187 /nfs/dbraw/zinc/29/21/87/983292187.db2.gz KHOFDCYRFGNSDT-SOFGYWHQSA-N 0 1 241.294 2.382 20 0 BEADMN CCc1ncc(CN(C)CCc2ccccn2)o1 ZINC001354459411 983307426 /nfs/dbraw/zinc/30/74/26/983307426.db2.gz GGZNZXUIVBWFCD-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CC[C@H](C)CN1CCc2oc(C)nc2C1 ZINC001201521626 983319463 /nfs/dbraw/zinc/31/94/63/983319463.db2.gz WMFZJLIUBUVIME-VIFPVBQESA-N 0 1 208.305 2.387 20 0 BEADMN CC(C)[C@@H](CO)NCc1coc(C(C)(C)C)n1 ZINC001354581331 983324634 /nfs/dbraw/zinc/32/46/34/983324634.db2.gz UOJMLJDSVHWCJS-LLVKDONJSA-N 0 1 240.347 2.079 20 0 BEADMN CCOC(=O)/C=C/CN[C@@H](C)c1cnccc1C ZINC001354582672 983324850 /nfs/dbraw/zinc/32/48/50/983324850.db2.gz BQGNZCKRNVWATG-FYJFLYSWSA-N 0 1 248.326 2.160 20 0 BEADMN CCN1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001201573174 983338032 /nfs/dbraw/zinc/33/80/32/983338032.db2.gz LMJBUPJKFVQWPA-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN Cc1cc(N)ncc1-c1cccc2cncn21 ZINC001242090721 983338890 /nfs/dbraw/zinc/33/88/90/983338890.db2.gz RSSXYUUAUIMVMP-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN Cc1cc(-c2nc(F)nc3nc[nH]c32)ccc1O ZINC001242099071 983342410 /nfs/dbraw/zinc/34/24/10/983342410.db2.gz SDHLIUZPCNLCFX-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC ZINC001201583146 983344666 /nfs/dbraw/zinc/34/46/66/983344666.db2.gz YMAZOCIRKPMLJC-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN CCCC[C@H](O)CNc1ccc2nccn2c1 ZINC001252079258 983345181 /nfs/dbraw/zinc/34/51/81/983345181.db2.gz MCAUTTLVCPHJLA-LBPRGKRZSA-N 0 1 233.315 2.297 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001201582709 983346848 /nfs/dbraw/zinc/34/68/48/983346848.db2.gz CAEBQNQHEHCXGH-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN Cn1c(C[N@@H+](C)CCC(=O)[O-])cc2ccccc21 ZINC001593740073 983348175 /nfs/dbraw/zinc/34/81/75/983348175.db2.gz REFFPCJOZFJBQH-UHFFFAOYSA-N 0 1 246.310 2.085 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cncc(O)c1 ZINC001201628976 983385249 /nfs/dbraw/zinc/38/52/49/983385249.db2.gz KYYMFQMGOCYWQG-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN CCC1(CNC(=O)c2cccc(F)c2O)CC1 ZINC001354959882 983386049 /nfs/dbraw/zinc/38/60/49/983386049.db2.gz RBPSPEHLDIDIIJ-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN Cc1cc(F)ccc1[C@H](C)NCc1nnc[nH]1 ZINC001354961385 983388870 /nfs/dbraw/zinc/38/88/70/983388870.db2.gz KKLJDHODKXKFOM-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN c1ncc(C2CC2)cc1-c1cc2c(nn1)CNC2 ZINC001242194704 983403320 /nfs/dbraw/zinc/40/33/20/983403320.db2.gz IGZKFGRBVICFIJ-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN CCn1cncc1CN[C@@H](C)c1cnccc1C ZINC001201657128 983406737 /nfs/dbraw/zinc/40/67/37/983406737.db2.gz VXHBKIZRBMVTEO-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN COCc1cc(-c2ccc(F)cc2O)nc(C)n1 ZINC001242216087 983413519 /nfs/dbraw/zinc/41/35/19/983413519.db2.gz LKKPBVFAHVQILO-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN Cn1cncc1Nc1ccc(C2CC2)nc1 ZINC001201707125 983414983 /nfs/dbraw/zinc/41/49/83/983414983.db2.gz VRGCISIDLWEHAM-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN COc1c(C)ncnc1-c1ccc(F)cc1O ZINC001242216809 983415911 /nfs/dbraw/zinc/41/59/11/983415911.db2.gz FWFCFRLHXAJNIJ-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN CCOc1cnc(-c2ccc(F)cc2O)cn1 ZINC001242218965 983421111 /nfs/dbraw/zinc/42/11/11/983421111.db2.gz FPPUXOGRZSNWIF-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN CCCCN1CCc2cnc(SC)nc2C1 ZINC001201717284 983423785 /nfs/dbraw/zinc/42/37/85/983423785.db2.gz KSGGYGMHASMPMN-UHFFFAOYSA-N 0 1 237.372 2.357 20 0 BEADMN c1cnc2cc(-c3ncc4c(n3)CNC4)ccc2c1 ZINC001242248373 983462614 /nfs/dbraw/zinc/46/26/14/983462614.db2.gz QHBSYBCXJMKQKW-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1cc2[nH]ncc2cc1-c1ccc(=O)n(C)c1 ZINC001242282811 983503014 /nfs/dbraw/zinc/50/30/14/983503014.db2.gz CAOADOIWWCBQPB-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1c(F)cc(-c2ncc3c(n2)CNC3)cc1F ZINC001242286055 983507846 /nfs/dbraw/zinc/50/78/46/983507846.db2.gz ARPVSYFCJJDHFX-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CCOc1cncc(-c2cccc(F)c2O)n1 ZINC001242347847 983557881 /nfs/dbraw/zinc/55/78/81/983557881.db2.gz CVRHXDOQBLQLTE-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN COC[C@@H](SCc1nnc[nH]1)c1ccccc1 ZINC001356046505 983561708 /nfs/dbraw/zinc/56/17/08/983561708.db2.gz TWJXSHGSPNYAQW-LLVKDONJSA-N 0 1 249.339 2.426 20 0 BEADMN COc1cc(C)[nH+]cc1-c1ccc(C(=O)[O-])nc1 ZINC001242336427 983582754 /nfs/dbraw/zinc/58/27/54/983582754.db2.gz OHAFUSJNMQDSGM-UHFFFAOYSA-N 0 1 244.250 2.159 20 0 BEADMN COc1nnc(-c2cccc(F)c2O)cc1C ZINC001242349019 983610657 /nfs/dbraw/zinc/61/06/57/983610657.db2.gz DSGDVYBGDKFAEV-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN CN(C)c1cnc(-c2cccc(F)c2O)cn1 ZINC001242349354 983613620 /nfs/dbraw/zinc/61/36/20/983613620.db2.gz HMIQYKWINNOGDT-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Oc1c(F)cccc1-c1ccc2[nH]nnc2c1 ZINC001242350992 983621674 /nfs/dbraw/zinc/62/16/74/983621674.db2.gz BMPPVTJXNBVMPY-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1c(F)cccc1-c1ccc2nccn2n1 ZINC001242351633 983623064 /nfs/dbraw/zinc/62/30/64/983623064.db2.gz MJPXIVGSLKAABT-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN FC(F)(F)CCN1CC2(C1)CCOCC2 ZINC001202348737 983629672 /nfs/dbraw/zinc/62/96/72/983629672.db2.gz UEPGDOMHUCBPOR-UHFFFAOYSA-N 0 1 223.238 2.051 20 0 BEADMN Oc1c(Cl)cccc1-c1cncn2cnnc12 ZINC001242367659 983662417 /nfs/dbraw/zinc/66/24/17/983662417.db2.gz PKPUEVNYJAGXQU-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN c1nc2ccc(C[NH+]3CC4(CSC4)C3)cc2[nH]1 ZINC001137048866 983698023 /nfs/dbraw/zinc/69/80/23/983698023.db2.gz MYLRVAYQMVLMQJ-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN c1nc2cc(CN3CC4(CSC4)C3)ccc2[nH]1 ZINC001137048866 983698028 /nfs/dbraw/zinc/69/80/28/983698028.db2.gz MYLRVAYQMVLMQJ-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN Cc1ncc(-c2cccn3cncc23)cc1N ZINC001242412079 983724794 /nfs/dbraw/zinc/72/47/94/983724794.db2.gz BOWPCIRNQYMZJE-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCSC(C)(C)C ZINC001357509044 983733055 /nfs/dbraw/zinc/73/30/55/983733055.db2.gz SZUVEWQYBMQXFB-UHFFFAOYSA-N 0 1 242.344 2.407 20 0 BEADMN CCCCC(=O)N[C@H]1CCN(C[C@H](F)CC)C1 ZINC001490523578 983733223 /nfs/dbraw/zinc/73/32/23/983733223.db2.gz TUZMUFAHYYTOCO-NEPJUHHUSA-N 0 1 244.354 2.115 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC001596320938 983752305 /nfs/dbraw/zinc/75/23/05/983752305.db2.gz UZGIDNBIPAYLCD-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)C(C)C ZINC001596354173 983814848 /nfs/dbraw/zinc/81/48/48/983814848.db2.gz BNNBIHZFZHPJBX-UHFFFAOYSA-N 0 1 238.331 2.262 20 0 BEADMN CC[N@@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)C(C)C ZINC001596356703 983825990 /nfs/dbraw/zinc/82/59/90/983825990.db2.gz YLTIGNJHKPZEIH-UHFFFAOYSA-N 0 1 224.304 2.252 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1ccco1 ZINC001358179895 983834945 /nfs/dbraw/zinc/83/49/45/983834945.db2.gz RQIYAJATVHOZIT-MRVPVSSYSA-N 0 1 220.228 2.229 20 0 BEADMN OCc1ccc(-c2cc3[nH]cnc3cn2)cc1F ZINC001242530975 983854090 /nfs/dbraw/zinc/85/40/90/983854090.db2.gz WHOSYAOGYZDEIU-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CCC[C@@H](O)CNc1nc2cc(OC)ccc2[nH]1 ZINC001252771274 983874055 /nfs/dbraw/zinc/87/40/55/983874055.db2.gz JJFHYTVGHOWNJB-SECBINFHSA-N 0 1 249.314 2.144 20 0 BEADMN NCc1ncc(-c2cccc(F)c2Cl)cn1 ZINC001242572353 983888463 /nfs/dbraw/zinc/88/84/63/983888463.db2.gz LTQQXXSWYNYHIV-UHFFFAOYSA-N 0 1 237.665 2.395 20 0 BEADMN c1nc2c(ccnc2-c2cccc3c2OCO3)[nH]1 ZINC001242584589 983898716 /nfs/dbraw/zinc/89/87/16/983898716.db2.gz XKRCNUMHTYACTJ-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN CCC[C@@H](O)CN[C@H](CF)c1ccccc1 ZINC001252804784 983899062 /nfs/dbraw/zinc/89/90/62/983899062.db2.gz XCOUYNJBRIOAEA-CHWSQXEVSA-N 0 1 225.307 2.448 20 0 BEADMN F[C@H]1CCN(Cc2ccccc2-n2cccn2)C1 ZINC001137093676 983936891 /nfs/dbraw/zinc/93/68/91/983936891.db2.gz ODAUKJPQUOHMDP-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN CC(C)Cc1ccc(N2CCN(C)CC2)nc1 ZINC000200126746 983944919 /nfs/dbraw/zinc/94/49/19/983944919.db2.gz VQVXVUOZPOKDGY-UHFFFAOYSA-N 0 1 233.359 2.032 20 0 BEADMN Cc1oncc1-c1cc2[nH]cnc2nc1C ZINC001242602745 983954797 /nfs/dbraw/zinc/95/47/97/983954797.db2.gz MDOVQEWJFTYMBY-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN C=C/C=C\CC[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001588720214 983965266 /nfs/dbraw/zinc/96/52/66/983965266.db2.gz NHWAXQULDKBRAU-PLNGDYQASA-N 0 1 246.310 2.344 20 0 BEADMN CC1(C)CN(Cc2cccn2C(F)F)C[C@H]1O ZINC001560803352 984010520 /nfs/dbraw/zinc/01/05/20/984010520.db2.gz SKKYBIVGWJSRQG-SNVBAGLBSA-N 0 1 244.285 2.086 20 0 BEADMN COC[C@H](C)CN1CC(Oc2ccccc2)C1 ZINC001561056032 984014802 /nfs/dbraw/zinc/01/48/02/984014802.db2.gz FDNWNNWBFKFAFH-GFCCVEGCSA-N 0 1 235.327 2.032 20 0 BEADMN CC(C)C(=O)N(C)CCCN(C)C/C=C/Cl ZINC001570190115 984024799 /nfs/dbraw/zinc/02/47/99/984024799.db2.gz AAJWXIIWCVDSKL-FNORWQNLSA-N 0 1 246.782 2.175 20 0 BEADMN CCOc1cncc(-c2cncc3nc[nH]c32)c1 ZINC001242657359 984025600 /nfs/dbraw/zinc/02/56/00/984025600.db2.gz DUCGMVJFUQHQEL-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1ccc(CO)cc1-c1ccc2[nH]nnc2c1 ZINC001242668492 984036813 /nfs/dbraw/zinc/03/68/13/984036813.db2.gz RLAQLHMQFWUGAY-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(CO)cc1-c1ccc2nn[nH]c2c1 ZINC001242668492 984036822 /nfs/dbraw/zinc/03/68/22/984036822.db2.gz RLAQLHMQFWUGAY-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cccc2ncc(CN3CC[C@@H]3C)n21 ZINC001137192407 984047326 /nfs/dbraw/zinc/04/73/26/984047326.db2.gz DXBCMGMRFWRSPD-JTQLQIEISA-N 0 1 215.300 2.237 20 0 BEADMN Cc1nc([C@@H]2CCCN(Cc3ccc[nH]3)C2)no1 ZINC001204003485 984101179 /nfs/dbraw/zinc/10/11/79/984101179.db2.gz FBILISUIIPYMDY-LLVKDONJSA-N 0 1 246.314 2.086 20 0 BEADMN CC1(C)CO[C@@H](CCNCc2cscn2)C1 ZINC000717273496 984104547 /nfs/dbraw/zinc/10/45/47/984104547.db2.gz ITXDICMBTDXXKM-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN O=C([O-])[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2C[C@H]21 ZINC001574346734 984113059 /nfs/dbraw/zinc/11/30/59/984113059.db2.gz UXFOEHNGYXODCE-MELADBBJSA-N 0 1 245.322 2.167 20 0 BEADMN CCCCC[C@H](O)CNc1n[nH]c2cnccc21 ZINC001253518912 984189518 /nfs/dbraw/zinc/18/95/18/984189518.db2.gz MMACTQJFUPODRF-JTQLQIEISA-N 0 1 248.330 2.311 20 0 BEADMN c1csc(-c2cc3nc[nH]c3cn2)n1 ZINC001242894038 984241007 /nfs/dbraw/zinc/24/10/07/984241007.db2.gz JHGGUUUBBOPMEO-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1nc2ccc(-c3cncc(CO)c3)cc2[nH]1 ZINC001242971386 984337145 /nfs/dbraw/zinc/33/71/45/984337145.db2.gz KZDGQRUPQLJDLX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1c(CO)cccc1-c1ccc2[nH]nnc2c1 ZINC001243015928 984373558 /nfs/dbraw/zinc/37/35/58/984373558.db2.gz VFGUFGHJEMYAGR-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1c(CO)cccc1-c1ccc2nn[nH]c2c1 ZINC001243015928 984373569 /nfs/dbraw/zinc/37/35/69/984373569.db2.gz VFGUFGHJEMYAGR-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)[nH]1 ZINC001439511848 984389913 /nfs/dbraw/zinc/38/99/13/984389913.db2.gz OCECLQVJYVWXPV-YUMQZZPRSA-N 0 1 238.335 2.370 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)[nH]1 ZINC001439511837 984390259 /nfs/dbraw/zinc/39/02/59/984390259.db2.gz OCECLQVJYVWXPV-HTQZYQBOSA-N 0 1 238.335 2.370 20 0 BEADMN Cc1occc1-c1nc(F)nc2nc[nH]c21 ZINC001243055810 984424254 /nfs/dbraw/zinc/42/42/54/984424254.db2.gz AQKSOHSFMGQMLL-UHFFFAOYSA-N 0 1 218.191 2.012 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1cncn1C ZINC001243069706 984495346 /nfs/dbraw/zinc/49/53/46/984495346.db2.gz WRQJGFPWJVUETM-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC[C@@H](Cc1ccccc1)NCc1nnc(C)o1 ZINC000718883291 984555260 /nfs/dbraw/zinc/55/52/60/984555260.db2.gz IZHCNKXRGONREZ-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN CC[C@H](Cc1ccccc1)NCc1nnc(C)o1 ZINC000718883288 984555397 /nfs/dbraw/zinc/55/53/97/984555397.db2.gz IZHCNKXRGONREZ-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2nnc(C)o2)C1 ZINC000718896863 984557347 /nfs/dbraw/zinc/55/73/47/984557347.db2.gz XMKFQTYCQRIGCZ-VHSXEESVSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001444695027 984569560 /nfs/dbraw/zinc/56/95/60/984569560.db2.gz QHUURHKBHSXICE-YUMQZZPRSA-N 0 1 227.283 2.103 20 0 BEADMN CC[C@H](F)CN(C)C[C@H](C)NC(=O)C=C(C)C ZINC001275495686 984582113 /nfs/dbraw/zinc/58/21/13/984582113.db2.gz BQBHLUOGUCXPQR-RYUDHWBXSA-N 0 1 244.354 2.137 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001588949419 984673651 /nfs/dbraw/zinc/67/36/51/984673651.db2.gz RTZZWJTYPOITCQ-PMDBQALLSA-N 0 1 223.316 2.139 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001588949853 984676114 /nfs/dbraw/zinc/67/61/14/984676114.db2.gz WCJNXKCCFHVYOG-UMAGTOLTSA-N 0 1 223.316 2.139 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1cccnc1)C(=O)[O-] ZINC001588959942 984729059 /nfs/dbraw/zinc/72/90/59/984729059.db2.gz VHQGFSXXCHBICF-ASJRZHAZSA-N 0 1 246.310 2.249 20 0 BEADMN Nc1ccc(F)c(-c2cc3[nH]nnc3cc2F)c1 ZINC001243283643 984811116 /nfs/dbraw/zinc/81/11/16/984811116.db2.gz FFEUVLDEHCVDPV-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Nc1ncc(-c2nc3ccc(F)cc3[nH]2)s1 ZINC000719945053 984827402 /nfs/dbraw/zinc/82/74/02/984827402.db2.gz HWVZARHYKMZDIV-UHFFFAOYSA-N 0 1 234.259 2.408 20 0 BEADMN COc1ccc(-c2ccc(O)c(F)c2F)nn1 ZINC001243339784 984828890 /nfs/dbraw/zinc/82/88/90/984828890.db2.gz UQMIMSWYAJFHCN-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cc1cnnc(-c2ccc(O)c(F)c2F)c1 ZINC001243338370 984830420 /nfs/dbraw/zinc/83/04/20/984830420.db2.gz GZYDYLRIKJWQPM-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN COc1cnc(-c2ccc(O)c(F)c2F)cn1 ZINC001243338444 984830508 /nfs/dbraw/zinc/83/05/08/984830508.db2.gz JRWHVBGNGNUPJU-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Oc1ccc(-c2ncnn3cccc23)c(F)c1F ZINC001243343161 984831959 /nfs/dbraw/zinc/83/19/59/984831959.db2.gz RBUVYBDVQGQPHY-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN c1[nH]nnc1CCN(c1ccccc1)C1CCC1 ZINC001578053070 984836769 /nfs/dbraw/zinc/83/67/69/984836769.db2.gz KVRWRXZADQKAAN-UHFFFAOYSA-N 0 1 242.326 2.406 20 0 BEADMN CCC(CC)N1CCc2c(ncnc2OC)C1 ZINC001257299661 984873760 /nfs/dbraw/zinc/87/37/60/984873760.db2.gz LQLPLVQXVPYPJS-UHFFFAOYSA-N 0 1 235.331 2.032 20 0 BEADMN CCC[C@H](C)NCc1nccnc1Cl ZINC001257304738 984876962 /nfs/dbraw/zinc/87/69/62/984876962.db2.gz NXRQIYXFIPVWLZ-QMMMGPOBSA-N 0 1 213.712 2.408 20 0 BEADMN O=C(NC1CCC1)c1ccc(CN2CCCC2)o1 ZINC001451040000 984879823 /nfs/dbraw/zinc/87/98/23/984879823.db2.gz OECNCPIQHDXNMV-UHFFFAOYSA-N 0 1 248.326 2.158 20 0 BEADMN Cc1cc(-c2cc(N)ccn2)cnc1F ZINC001243392211 984880245 /nfs/dbraw/zinc/88/02/45/984880245.db2.gz ZMLDPVXHDAELHB-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN CCC[C@@H](C)N[C@@H]1NC(=O)c2ccccc21 ZINC001257309955 984882895 /nfs/dbraw/zinc/88/28/95/984882895.db2.gz OLHWPDREJDOJRQ-BXKDBHETSA-N 0 1 218.300 2.207 20 0 BEADMN CCC[C@H](C)N[C@@H]1NC(=O)c2ccccc21 ZINC001257309963 984883605 /nfs/dbraw/zinc/88/36/05/984883605.db2.gz OLHWPDREJDOJRQ-JOYOIKCWSA-N 0 1 218.300 2.207 20 0 BEADMN O=c1cc(-c2nccc3[nH]ccc32)cc[nH]1 ZINC001243425157 984896404 /nfs/dbraw/zinc/89/64/04/984896404.db2.gz SCYSTLFBALCTCS-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CCc1cc(CNCc2ccc(C#N)cc2)[nH]n1 ZINC000074372977 984902436 /nfs/dbraw/zinc/90/24/36/984902436.db2.gz QVAVAOKCRTUSGZ-UHFFFAOYSA-N 0 1 240.310 2.134 20 0 BEADMN CCc1cc(CNCc2ccc(C#N)cc2)n[nH]1 ZINC000074372977 984902460 /nfs/dbraw/zinc/90/24/60/984902460.db2.gz QVAVAOKCRTUSGZ-UHFFFAOYSA-N 0 1 240.310 2.134 20 0 BEADMN C=C/C=C/CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001452583017 984942084 /nfs/dbraw/zinc/94/20/84/984942084.db2.gz MTNNBTBXUIEXJH-LZGDYBNZSA-N 0 1 236.359 2.060 20 0 BEADMN CSc1cccnc1NC(=O)c1nocc1C ZINC001452814216 984959169 /nfs/dbraw/zinc/95/91/69/984959169.db2.gz DYDDEYXHYHDPCX-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN OCc1ccc(-c2nccc3[nH]ccc32)cn1 ZINC001243465381 984983315 /nfs/dbraw/zinc/98/33/15/984983315.db2.gz ULRFLMUJQDANEN-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN CC[C@@H](C)NC1(c2ccccc2)COC1 ZINC001257429972 984999444 /nfs/dbraw/zinc/99/94/44/984999444.db2.gz AQSOFPUWDFMRBX-LLVKDONJSA-N 0 1 205.301 2.300 20 0 BEADMN CC[C@H](C)NC1(c2ccccc2)COC1 ZINC001257429973 985000626 /nfs/dbraw/zinc/00/06/26/985000626.db2.gz AQSOFPUWDFMRBX-NSHDSACASA-N 0 1 205.301 2.300 20 0 BEADMN Nc1cccnc1-c1cc(F)cc(F)c1O ZINC001243500341 985056170 /nfs/dbraw/zinc/05/61/70/985056170.db2.gz PJCNPMLVFAWJAU-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CCOc1c(F)cccc1-c1cnc(CN)nc1 ZINC001243534946 985073152 /nfs/dbraw/zinc/07/31/52/985073152.db2.gz HXPVBXCYPOTOFN-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC001456143512 985116027 /nfs/dbraw/zinc/11/60/27/985116027.db2.gz RXYRLEYPICOYRS-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)c2ccccc2C)[nH]1 ZINC001456143848 985118034 /nfs/dbraw/zinc/11/80/34/985118034.db2.gz UDOLCZARASEXOF-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN C[NH2+]Cc1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243579587 985135098 /nfs/dbraw/zinc/13/50/98/985135098.db2.gz VFUGNGIGIQFRJF-UHFFFAOYSA-N 0 1 249.701 2.222 20 0 BEADMN CCCCC[C@H](C)N1CCN(C(=O)OC)CC1 ZINC001257509389 985138044 /nfs/dbraw/zinc/13/80/44/985138044.db2.gz QYILFYQNAKBIJW-LBPRGKRZSA-N 0 1 242.363 2.339 20 0 BEADMN CCOC(C)(C)C(=O)Nc1ccc2cncn2c1 ZINC001456444995 985144898 /nfs/dbraw/zinc/14/48/98/985144898.db2.gz ROMIIQCGJPYNOG-UHFFFAOYSA-N 0 1 247.298 2.088 20 0 BEADMN CCCCC[C@H](C)N(C)[C@@H](C)C(=O)OC ZINC001257516433 985176594 /nfs/dbraw/zinc/17/65/94/985176594.db2.gz JWOWSUASHNZOPB-QWRGUYRKSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCC[C@@H](C)N(C)[C@@H](C)C(=O)OC ZINC001257516432 985182657 /nfs/dbraw/zinc/18/26/57/985182657.db2.gz JWOWSUASHNZOPB-MNOVXSKESA-N 0 1 215.337 2.449 20 0 BEADMN CCCCC[C@H](C)N1CCN(CC)C(=O)C1 ZINC001257516462 985183921 /nfs/dbraw/zinc/18/39/21/985183921.db2.gz KMZIZSGQGWWNTQ-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN Nc1ccnc(-c2cccc(CO)c2Cl)c1 ZINC001243704558 985237507 /nfs/dbraw/zinc/23/75/07/985237507.db2.gz OCPUKDULILCPGP-UHFFFAOYSA-N 0 1 234.686 2.477 20 0 BEADMN [O-]c1cccnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001138390695 985303022 /nfs/dbraw/zinc/30/30/22/985303022.db2.gz FRLQEVSELDLBIE-VXGBXAGGSA-N 0 1 232.327 2.409 20 0 BEADMN Cc1c(F)nccc1-c1cc(N)ccn1 ZINC001243776519 985314541 /nfs/dbraw/zinc/31/45/41/985314541.db2.gz LMQLKLREYVGYAV-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CC(c2ccccc2)C1 ZINC000690665640 985419878 /nfs/dbraw/zinc/41/98/78/985419878.db2.gz ZGECYDFMSVGLNO-JXQTWKCFSA-N 0 1 245.322 2.482 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@@H](O)c1ccccc1 ZINC000687943123 985423440 /nfs/dbraw/zinc/42/34/40/985423440.db2.gz BYRVYWVJSNPZQB-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CCn1cc(-c2cncc3cc[nH]c32)ccc1=O ZINC001243837734 985447969 /nfs/dbraw/zinc/44/79/69/985447969.db2.gz OWAFOABDUDJSPO-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001599940459 985448368 /nfs/dbraw/zinc/44/83/68/985448368.db2.gz UWPMSVFYSDJLNA-NSHDSACASA-N 0 1 243.423 2.441 20 0 BEADMN Nc1cccc(-c2cccc3nc[nH]c32)n1 ZINC001243928920 985599458 /nfs/dbraw/zinc/59/94/58/985599458.db2.gz KNCRGCWTCLJXMZ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCOC2(CC2)C1 ZINC001258199032 985601498 /nfs/dbraw/zinc/60/14/98/985601498.db2.gz LXIZJHJESJFVCP-NSHDSACASA-N 0 1 221.300 2.075 20 0 BEADMN Nc1cc(-c2cccc3nc[nH]c32)ncc1F ZINC001243930881 985602220 /nfs/dbraw/zinc/60/22/20/985602220.db2.gz OKKLKJVCBDOIAX-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN c1nc2cccc(-c3ccc4nncn4c3)c2[nH]1 ZINC001243932418 985610328 /nfs/dbraw/zinc/61/03/28/985610328.db2.gz MYCQVWTWWLGWIL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC1CCC1 ZINC000688391939 985625745 /nfs/dbraw/zinc/62/57/45/985625745.db2.gz NERCBMKCVPIWOR-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H](C)c2nccnc2C)CO1 ZINC000688440562 985637456 /nfs/dbraw/zinc/63/74/56/985637456.db2.gz UMERRWRMOFMSIV-GRYCIOLGSA-N 0 1 235.331 2.003 20 0 BEADMN c1nc2cc(C3=CNCCC3)cnc2s1 ZINC001243950351 985648230 /nfs/dbraw/zinc/64/82/30/985648230.db2.gz PUAYNTUDZWQGDJ-UHFFFAOYSA-N 0 1 217.297 2.416 20 0 BEADMN CCOc1cncc(C2=CNCCC2)c1 ZINC001243951859 985654756 /nfs/dbraw/zinc/65/47/56/985654756.db2.gz ZQVWTNNQDSLQEO-UHFFFAOYSA-N 0 1 204.273 2.205 20 0 BEADMN CC(C)c1ncc(C2=CNCCC2)cn1 ZINC001243951858 985658507 /nfs/dbraw/zinc/65/85/07/985658507.db2.gz BIJUQWVBAADGOF-UHFFFAOYSA-N 0 1 203.289 2.324 20 0 BEADMN CSc1ncc(C2=CNCCC2)c(C)n1 ZINC001243953408 985668476 /nfs/dbraw/zinc/66/84/76/985668476.db2.gz IFNKXPVHEZMXJG-UHFFFAOYSA-N 0 1 221.329 2.231 20 0 BEADMN COc1ccc(-c2ccc3[nH]c(C)nc3c2)nn1 ZINC001243962725 985677909 /nfs/dbraw/zinc/67/79/09/985677909.db2.gz HGNVSEQPKMNFJB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[C@H](CC(F)F)CN(CC)CC(=O)OC ZINC000688721577 985715955 /nfs/dbraw/zinc/71/59/55/985715955.db2.gz ZBORZRTYJZLNOJ-SECBINFHSA-N 0 1 237.290 2.163 20 0 BEADMN Cc1csc(CNC[C@@H]2CCC[C@H](C)O2)n1 ZINC000688895376 985753573 /nfs/dbraw/zinc/75/35/73/985753573.db2.gz SSIDKDRATIJRBU-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1[nH]c(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C(=O)[O-] ZINC001599961382 985788927 /nfs/dbraw/zinc/78/89/27/985788927.db2.gz DRAUXLJXQXRVCY-DTORHVGOSA-N 0 1 236.315 2.394 20 0 BEADMN Nc1cncc(F)c1-c1cc(F)c(O)c(F)c1 ZINC001244097466 985810380 /nfs/dbraw/zinc/81/03/80/985810380.db2.gz VOPKJRIDTXQQON-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Oc1c(F)cc(-c2nccn3ccnc23)cc1F ZINC001244098085 985813750 /nfs/dbraw/zinc/81/37/50/985813750.db2.gz XBLLNDQQTNJLSJ-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Cc1[nH]c(C[N@@H+](C)Cc2ccco2)cc1C(=O)[O-] ZINC001599963138 985834231 /nfs/dbraw/zinc/83/42/31/985834231.db2.gz XYPRHOAVBDENDP-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1[nH]c(C[N@H+](C)Cc2ccco2)cc1C(=O)[O-] ZINC001599963138 985834246 /nfs/dbraw/zinc/83/42/46/985834246.db2.gz XYPRHOAVBDENDP-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN CCCCC(CCCC)n1nnnc1CN ZINC001258380316 985860791 /nfs/dbraw/zinc/86/07/91/985860791.db2.gz HFGOLJBUAMJZIF-UHFFFAOYSA-N 0 1 225.340 2.053 20 0 BEADMN Cc1cncc(-c2nc(F)nc3nc[nH]c32)c1C ZINC001244150902 985862794 /nfs/dbraw/zinc/86/27/94/985862794.db2.gz YGTFODBWBYKFCI-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN CCCCC[C@@H](CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258444903 985884126 /nfs/dbraw/zinc/88/41/26/985884126.db2.gz CJZUYQDPYUJPIF-TUAOUCFPSA-N 0 1 244.354 2.243 20 0 BEADMN CCc1n[nH]cc1-c1nc(-c2ccncc2)no1 ZINC001212886599 985886924 /nfs/dbraw/zinc/88/69/24/985886924.db2.gz PPJISCYJSXCDJP-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN C[C@H](CC1CC1)N[C@H](C)c1ncc(F)cn1 ZINC001258454554 985899081 /nfs/dbraw/zinc/89/90/81/985899081.db2.gz KWLBCGXBLVAVQZ-RKDXNWHRSA-N 0 1 223.295 2.455 20 0 BEADMN Cc1cc([C@@H]2CCCCN2Cc2ccno2)n[nH]1 ZINC001460841383 985912985 /nfs/dbraw/zinc/91/29/85/985912985.db2.gz IMDOHEMHICPIDH-ZDUSSCGKSA-N 0 1 246.314 2.433 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(CCO)cc1 ZINC001212927645 985929764 /nfs/dbraw/zinc/92/97/64/985929764.db2.gz PMZRIQXDUQZOSG-UHFFFAOYSA-N 0 1 231.299 2.007 20 0 BEADMN C[C@@H](CC1CC1)N1CC(N2CCC(F)(F)C2)C1 ZINC001258468674 985930863 /nfs/dbraw/zinc/93/08/63/985930863.db2.gz ZSZGZICGXDSBMC-JTQLQIEISA-N 0 1 244.329 2.200 20 0 BEADMN CCC[C@@H]1CCCN1CCS(=O)(=O)CCC ZINC001460902303 985936775 /nfs/dbraw/zinc/93/67/75/985936775.db2.gz RFRXFHPQTCIGEV-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN CC/C=C/CCN(C)Cc1ccn(C)n1 ZINC001460931019 985942975 /nfs/dbraw/zinc/94/29/75/985942975.db2.gz HEMXFZZWGKABGK-AATRIKPKSA-N 0 1 207.321 2.208 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC001258489112 985949238 /nfs/dbraw/zinc/94/92/38/985949238.db2.gz MLSLMVFXTXRGQW-IJLUTSLNSA-N 0 1 245.338 2.398 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1C[C@H](F)C[C@H]1C ZINC001258490500 985953789 /nfs/dbraw/zinc/95/37/89/985953789.db2.gz YAJLXUMEMMKQLB-GMTAPVOTSA-N 0 1 231.311 2.151 20 0 BEADMN Cn1cnc2c1CN([C@H]1CCC(C)(C)C1)CC2 ZINC001258608980 985982557 /nfs/dbraw/zinc/98/25/57/985982557.db2.gz PUUQFNOZEBTOJH-NSHDSACASA-N 0 1 233.359 2.357 20 0 BEADMN Cc1ccc(-c2nc3nc[nH]c3c(C)n2)c(N)c1 ZINC001244389884 986021739 /nfs/dbraw/zinc/02/17/39/986021739.db2.gz WLJYYNDIUZKMOZ-UHFFFAOYSA-N 0 1 239.282 2.171 20 0 BEADMN CCn1ccc(CN[C@@H]2C[C@H]2CC(C)C)n1 ZINC001461566243 986086629 /nfs/dbraw/zinc/08/66/29/986086629.db2.gz PVHJUTPNKTZMMW-DGCLKSJQSA-N 0 1 221.348 2.427 20 0 BEADMN Cc1ccc(O)cc1-c1nc2nc[nH]c2c(C)n1 ZINC001244444958 986090619 /nfs/dbraw/zinc/09/06/19/986090619.db2.gz FNDKDXRNABRTAW-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN Cc1cn[nH]c1CNc1cc2cc[nH]c2cn1 ZINC001461609788 986093319 /nfs/dbraw/zinc/09/33/19/986093319.db2.gz UTFCOMVMXNTOFQ-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN Cc1ccoc1CNCc1ccc2nonc2c1 ZINC001461818292 986184788 /nfs/dbraw/zinc/18/47/88/986184788.db2.gz OEWAPSQTOWNJJB-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN CCc1[nH]nc(Cl)c1CNCCC(F)F ZINC001461830446 986195912 /nfs/dbraw/zinc/19/59/12/986195912.db2.gz OWDUSIMXTQDTHT-UHFFFAOYSA-N 0 1 237.681 2.370 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1CC(OC(C)=O)C1 ZINC001258795644 986229933 /nfs/dbraw/zinc/22/99/33/986229933.db2.gz SLZFSKBXBHJBFQ-CMPLNLGQSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cc(-c2cc(C[NH3+])ncn2)cc(Cl)c1[O-] ZINC001244531987 986230025 /nfs/dbraw/zinc/23/00/25/986230025.db2.gz SQOIRZADHVMXNA-UHFFFAOYSA-N 0 1 249.701 2.270 20 0 BEADMN OCc1c(F)cccc1-c1cccc2[nH]nnc21 ZINC001244562525 986251661 /nfs/dbraw/zinc/25/16/61/986251661.db2.gz FWGWXBPESBQNOT-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C[C@@H]1CCC[C@H](N2CCn3cncc3C2)C1 ZINC001258827686 986292541 /nfs/dbraw/zinc/29/25/41/986292541.db2.gz UDUIIYDMUIUHOU-NEPJUHHUSA-N 0 1 219.332 2.277 20 0 BEADMN Cc1c(F)cncc1-c1cncc2nc[nH]c21 ZINC001244832293 986375592 /nfs/dbraw/zinc/37/55/92/986375592.db2.gz PZPHAJOPEULMTK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ncc(-c2cccc3nc[nH]c32)cc1O ZINC001244843776 986388350 /nfs/dbraw/zinc/38/83/50/986388350.db2.gz KWDHDUVCYCFDMG-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@@H]1CCC[C@@H]1O ZINC000689261704 986465736 /nfs/dbraw/zinc/46/57/36/986465736.db2.gz JFAPGDIVEOTXME-IUCAKERBSA-N 0 1 238.158 2.398 20 0 BEADMN Cn1c(Cl)cnc1CNC[C@@]1(C)CC1(F)F ZINC000689263006 986466039 /nfs/dbraw/zinc/46/60/39/986466039.db2.gz SBLLZSGTZBWJQB-SECBINFHSA-N 0 1 249.692 2.208 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1cncc(Cl)c1Cl ZINC001462630696 986471635 /nfs/dbraw/zinc/47/16/35/986471635.db2.gz WCAPKXGAKXGEEN-RKDXNWHRSA-N 0 1 247.125 2.001 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)OCc1nnc[nH]1 ZINC001261587841 986515237 /nfs/dbraw/zinc/51/52/37/986515237.db2.gz LQVSIKOSQAFDOM-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN Oc1cccc(F)c1-c1nnc(C2CC2)o1 ZINC001254114812 986516857 /nfs/dbraw/zinc/51/68/57/986516857.db2.gz KNPRXSGWLRXPTB-UHFFFAOYSA-N 0 1 220.203 2.459 20 0 BEADMN CNc1cc(-c2ccc(CN(C)C)cn2)ccn1 ZINC001244972810 986547834 /nfs/dbraw/zinc/54/78/34/986547834.db2.gz UEJJEHNUCDLZQS-UHFFFAOYSA-N 0 1 242.326 2.247 20 0 BEADMN CCN(CC)C(=O)c1c2[nH]cnc2ccc1F ZINC001463613665 986559614 /nfs/dbraw/zinc/55/96/14/986559614.db2.gz KYAYRYSGGCFQGJ-UHFFFAOYSA-N 0 1 235.262 2.184 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccccc1 ZINC001463657124 986572161 /nfs/dbraw/zinc/57/21/61/986572161.db2.gz QZCXJQCPAWEYFH-UHFFFAOYSA-N 0 1 215.256 2.224 20 0 BEADMN COc1cnc(F)c(-c2nccc3[nH]cnc32)c1 ZINC001245056878 986616250 /nfs/dbraw/zinc/61/62/50/986616250.db2.gz CFAZDQXLTUTPFS-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnc(F)c(-c2cccc3[nH]nnc32)c1 ZINC001245062702 986621259 /nfs/dbraw/zinc/62/12/59/986621259.db2.gz HGHZQAWSLNGGIE-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2cc3[nH]cnc3cn2)cnc1F ZINC001245073044 986632644 /nfs/dbraw/zinc/63/26/44/986632644.db2.gz OREOBZZZTZSGQY-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCCN(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001464517148 986636928 /nfs/dbraw/zinc/63/69/28/986636928.db2.gz BHDLWGKBLDCOFL-UHFFFAOYSA-N 0 1 235.262 2.184 20 0 BEADMN CC(Cl)=CC(=O)NCc1nc2ccccc2[nH]1 ZINC001464837915 986664483 /nfs/dbraw/zinc/66/44/83/986664483.db2.gz JZVWINHAOTXCTJ-SOFGYWHQSA-N 0 1 249.701 2.322 20 0 BEADMN CC[C@H]1CCCN1C(=O)CCc1cc(C)[nH]n1 ZINC001465154847 986692261 /nfs/dbraw/zinc/69/22/61/986692261.db2.gz OCIQJLGYXKVOLX-LBPRGKRZSA-N 0 1 235.331 2.052 20 0 BEADMN CC(C)CCCCNC(=O)[C@@H]1CCCN1C ZINC001465320610 986705836 /nfs/dbraw/zinc/70/58/36/986705836.db2.gz RCDRSCJLLAITCA-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN COCn1cc(-c2ccc3nc[nH]c3c2C)cn1 ZINC001245220727 986746157 /nfs/dbraw/zinc/74/61/57/986746157.db2.gz MVXDZFBZFFCZIE-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN Cc1c(C(=O)[O-])cccc1-c1cc[nH+]c(N)c1 ZINC001245301387 986787016 /nfs/dbraw/zinc/78/70/16/986787016.db2.gz UBQLLZMULZGTAN-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN CC(=O)C1CCN(Cc2[nH]c(C)cc2C)CC1 ZINC001137330033 986790451 /nfs/dbraw/zinc/79/04/51/986790451.db2.gz ZEHUGJNQAKFFSJ-UHFFFAOYSA-N 0 1 234.343 2.433 20 0 BEADMN F[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@@H]2C[C@@H]21 ZINC001137344964 986808603 /nfs/dbraw/zinc/80/86/03/986808603.db2.gz LBGXXURCTJGCOF-ZMLRMANQSA-N 0 1 245.301 2.353 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1[nH]nc2ccccc21 ZINC001137345009 986808995 /nfs/dbraw/zinc/80/89/95/986808995.db2.gz NNISRZFRTMFMLP-ZJUUUORDSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@H]1CCN1Cc1n[nH]c2ccccc21 ZINC001137345126 986809662 /nfs/dbraw/zinc/80/96/62/986809662.db2.gz TUPIJQBBQICGAD-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN FC1(F)CN(Cc2[nH]nc3ccccc32)C1 ZINC001137343940 986810632 /nfs/dbraw/zinc/81/06/32/986810632.db2.gz MQLUIAHCKBXVPH-UHFFFAOYSA-N 0 1 223.226 2.014 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1n[nH]c2ccccc21 ZINC001137351272 986818856 /nfs/dbraw/zinc/81/88/56/986818856.db2.gz XCQVBTRBRSQGJP-NHCYSSNCSA-N 0 1 245.301 2.495 20 0 BEADMN c1ccc2c(c1)n[nH]c2CN1CC2(CSC2)C1 ZINC001137351540 986820607 /nfs/dbraw/zinc/82/06/07/986820607.db2.gz CYPZNBOIGFRVFI-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN CN1CCN(Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137370845 986835397 /nfs/dbraw/zinc/83/53/97/986835397.db2.gz RPPVKYFWGKMZQG-UHFFFAOYSA-N 0 1 235.375 2.060 20 0 BEADMN CCCC1CCN(Cc2cncnc2)CC1 ZINC001137667845 986869754 /nfs/dbraw/zinc/86/97/54/986869754.db2.gz CFBPJVQNSXSIHQ-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN C[C@H]1CN(Cc2c[nH]c3ncccc23)C[C@H](C)O1 ZINC001137396880 986874969 /nfs/dbraw/zinc/87/49/69/986874969.db2.gz UHUNZFLIBCFJSX-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1c[nH]c2ncccc12 ZINC001137397375 986877488 /nfs/dbraw/zinc/87/74/88/986877488.db2.gz KKWPJNJRYYHJOB-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ncccc23)C[C@H](C)O1 ZINC001137396878 986877572 /nfs/dbraw/zinc/87/75/72/986877572.db2.gz UHUNZFLIBCFJSX-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CCSC1 ZINC001255269835 986878210 /nfs/dbraw/zinc/87/82/10/986878210.db2.gz PARFDDWQOBZQJP-SECBINFHSA-N 0 1 241.331 2.429 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)ccc1N ZINC001245504360 986885022 /nfs/dbraw/zinc/88/50/22/986885022.db2.gz OQYBDUANWXCKBS-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnc(N)c(C)c3)c-2n1 ZINC001245538950 986925475 /nfs/dbraw/zinc/92/54/75/986925475.db2.gz APEZLVRCSRJWDC-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1nc2c(cncc2-c2cnc(N)c(C)c2)[nH]1 ZINC001245538950 986925488 /nfs/dbraw/zinc/92/54/88/986925488.db2.gz APEZLVRCSRJWDC-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Nc1ncc(-c2cncc3nc[nH]c32)cc1Cl ZINC001245565654 986961226 /nfs/dbraw/zinc/96/12/26/986961226.db2.gz HQFLIBICBDBOBU-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN NCc1ncc(-c2cc3ccc(F)cc3[nH]2)cn1 ZINC001245589663 986978896 /nfs/dbraw/zinc/97/88/96/986978896.db2.gz XQPMGOQQVZJHIV-UHFFFAOYSA-N 0 1 242.257 2.223 20 0 BEADMN COC[C@H](C)NCc1c(F)c(F)ccc1OC ZINC001255558704 987010775 /nfs/dbraw/zinc/01/07/75/987010775.db2.gz SMRVGHIDFJCKHZ-QMMMGPOBSA-N 0 1 245.269 2.098 20 0 BEADMN Cc1cncnc1-c1c(O)cccc1F ZINC001245650448 987011097 /nfs/dbraw/zinc/01/10/97/987011097.db2.gz CEMKWXFQXUXQIB-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cn1ccc2ncnc(-c3c(O)cccc3F)c21 ZINC001245651869 987016237 /nfs/dbraw/zinc/01/62/37/987016237.db2.gz JUWFCTQBBRPLOB-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Oc1cccc(F)c1-c1ccc2c(n1)NCCO2 ZINC001245655214 987030986 /nfs/dbraw/zinc/03/09/86/987030986.db2.gz BCDXROFREKTCOR-UHFFFAOYSA-N 0 1 246.241 2.398 20 0 BEADMN Oc1cccc(F)c1-c1cc2c(nn1)CCOC2 ZINC001245654725 987034624 /nfs/dbraw/zinc/03/46/24/987034624.db2.gz PJRYRBKUJZMGFF-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN Oc1cccc(F)c1-c1cn2ccnc2cn1 ZINC001245656945 987036028 /nfs/dbraw/zinc/03/60/28/987036028.db2.gz WFUQQQMIJYZILC-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C)cc(C)c1O ZINC001470981524 987073636 /nfs/dbraw/zinc/07/36/36/987073636.db2.gz KNVUPKNQKNCAFX-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN C/C=C(/C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000751382840 987094410 /nfs/dbraw/zinc/09/44/10/987094410.db2.gz ZEBPJEBRTHIBLQ-KMKOMSMNSA-N 0 1 242.282 2.172 20 0 BEADMN O=C1Cc2ccc(-c3ccc4cncn4c3)cc2N1 ZINC001245893795 987103180 /nfs/dbraw/zinc/10/31/80/987103180.db2.gz LKSXFHYIZITERP-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN c1ncn2cc(-c3nccc4nccnc43)ccc12 ZINC001245895226 987105177 /nfs/dbraw/zinc/10/51/77/987105177.db2.gz SIVBAQNYRWCTPM-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN Cc1cnc(NC(=O)c2cccc3[nH]ncc32)o1 ZINC001471677216 987108016 /nfs/dbraw/zinc/10/80/16/987108016.db2.gz OBGAIJWXEZGVOR-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COc1cccnc1-c1ccc2cncn2c1 ZINC001245894441 987113178 /nfs/dbraw/zinc/11/31/78/987113178.db2.gz IKKNSWNUAJDLGY-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cc1cnc(-c2ccc3cncn3c2)cn1 ZINC001245895127 987114893 /nfs/dbraw/zinc/11/48/93/987114893.db2.gz PYUXHVLTYDKVGF-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN c1cn2nc(-c3ccc4cncn4c3)ccc2n1 ZINC001245896429 987116015 /nfs/dbraw/zinc/11/60/15/987116015.db2.gz OXCWRZWXKJHYMP-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Cc1cnc(C)nc1-c1ccc2cncn2c1 ZINC001245896638 987122216 /nfs/dbraw/zinc/12/22/16/987122216.db2.gz UMRUIVBHMNXIOG-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN Cc1nc2ccc(-c3ccc4cncn4c3)cn2n1 ZINC001245898792 987129941 /nfs/dbraw/zinc/12/99/41/987129941.db2.gz XPFLONBYNVPBDL-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN CCc1cc(=O)n(-c2ccc(OC)cc2F)[nH]1 ZINC001245916361 987141409 /nfs/dbraw/zinc/14/14/09/987141409.db2.gz GJWOIUXNCUMSDZ-UHFFFAOYSA-N 0 1 236.246 2.288 20 0 BEADMN CCc1cc(=O)n(CCc2ccc(OC)cc2)[nH]1 ZINC001245918612 987156849 /nfs/dbraw/zinc/15/68/49/987156849.db2.gz ZXMOYOQCQDFKPA-UHFFFAOYSA-N 0 1 246.310 2.402 20 0 BEADMN CCCc1cc(=O)n(-c2ccc(C)nc2)[nH]1 ZINC001245925086 987159628 /nfs/dbraw/zinc/15/96/28/987159628.db2.gz OIDHSJXYFJJNHT-UHFFFAOYSA-N 0 1 217.272 2.234 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)[nH]1 ZINC001472020399 987163671 /nfs/dbraw/zinc/16/36/71/987163671.db2.gz IFVVADNEPQUHEP-SMDDNHRTSA-N 0 1 249.358 2.271 20 0 BEADMN CC(C)c1ccc(-n2[nH]c(CO)cc2=O)cc1 ZINC001245923704 987165200 /nfs/dbraw/zinc/16/52/00/987165200.db2.gz FZHCSPCRAJONPK-UHFFFAOYSA-N 0 1 232.283 2.194 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1CC1CCOCC1 ZINC001245924518 987168618 /nfs/dbraw/zinc/16/86/18/987168618.db2.gz VKCBPAIUXYIADJ-UHFFFAOYSA-N 0 1 236.315 2.283 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1ccc(F)nc1 ZINC001245922297 987169352 /nfs/dbraw/zinc/16/93/52/987169352.db2.gz BCTZHVIMUMHTKK-UHFFFAOYSA-N 0 1 233.246 2.380 20 0 BEADMN CCCCc1cc(=O)n(CC2CCOCC2)[nH]1 ZINC001245927463 987181815 /nfs/dbraw/zinc/18/18/15/987181815.db2.gz QQNDGBLKRDKFHT-UHFFFAOYSA-N 0 1 238.331 2.358 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1Cc1cnccn1 ZINC001245928702 987185295 /nfs/dbraw/zinc/18/52/95/987185295.db2.gz QJRWRVJXLVGOSE-UHFFFAOYSA-N 0 1 244.298 2.085 20 0 BEADMN CCCCc1cc(=O)n(-c2ccc(OC)nc2)[nH]1 ZINC001245927687 987186546 /nfs/dbraw/zinc/18/65/46/987186546.db2.gz YVTGAKVIZZEBHU-UHFFFAOYSA-N 0 1 247.298 2.324 20 0 BEADMN Cc1cc(=O)n([C@H]2CCc3ccccc32)[nH]1 ZINC001245928182 987187903 /nfs/dbraw/zinc/18/79/03/987187903.db2.gz PVKJGXQMSOEBBO-LBPRGKRZSA-N 0 1 214.268 2.433 20 0 BEADMN CC[C@H](O)CN1N=C(c2ccccc2C)CC1=O ZINC001245935186 987198062 /nfs/dbraw/zinc/19/80/62/987198062.db2.gz BOTYROZOXUYHBQ-NSHDSACASA-N 0 1 246.310 2.335 20 0 BEADMN CC(C)Cc1cc(=O)n(-c2cccnc2F)[nH]1 ZINC001245933644 987199178 /nfs/dbraw/zinc/19/91/78/987199178.db2.gz WYTBIHUXZFYEMG-UHFFFAOYSA-N 0 1 235.262 2.311 20 0 BEADMN COCCn1[nH]c(CCC2CCCC2)cc1=O ZINC001245933348 987200800 /nfs/dbraw/zinc/20/08/00/987200800.db2.gz ZXMUIWOOUIAWJI-UHFFFAOYSA-N 0 1 238.331 2.358 20 0 BEADMN COCCc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC001245939879 987209654 /nfs/dbraw/zinc/20/96/54/987209654.db2.gz LPMMINDRSZITEC-UHFFFAOYSA-N 0 1 246.310 2.134 20 0 BEADMN COCCc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC001245940033 987211919 /nfs/dbraw/zinc/21/19/19/987211919.db2.gz OBQLYQCJVZNWDY-UHFFFAOYSA-N 0 1 246.310 2.020 20 0 BEADMN CCCN1N=C(c2cccc(N)c2)CC1=O ZINC001245948280 987224253 /nfs/dbraw/zinc/22/42/53/987224253.db2.gz IRJWWOWOVRBGMM-UHFFFAOYSA-N 0 1 217.272 2.248 20 0 BEADMN CC(C)n1[nH]c(CC(F)(F)F)cc1=O ZINC001245952300 987230917 /nfs/dbraw/zinc/23/09/17/987230917.db2.gz MVEOZOSDCXMREA-UHFFFAOYSA-N 0 1 208.183 2.274 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1-c1cccnc1F ZINC001245953167 987231569 /nfs/dbraw/zinc/23/15/69/987231569.db2.gz LDFKAXWWEAMXTQ-UHFFFAOYSA-N 0 1 233.246 2.065 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@H]2CCCc3[nH]cnc32)o1 ZINC001256661080 987261532 /nfs/dbraw/zinc/26/15/32/987261532.db2.gz YWNZMIWOQHGKPN-VGMNWLOBSA-N 0 1 244.298 2.384 20 0 BEADMN CN(Cc1cnc[nH]1)c1ncnc2sccc21 ZINC001472829021 987287360 /nfs/dbraw/zinc/28/73/60/987287360.db2.gz BYUFVJHFMXVMRA-UHFFFAOYSA-N 0 1 245.311 2.051 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000695118235 987328372 /nfs/dbraw/zinc/32/83/72/987328372.db2.gz FBBKIMHENQUCAV-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN Cc1ccc(C(=O)Nc2nc(C(C)C)n[nH]2)o1 ZINC001115922331 987414507 /nfs/dbraw/zinc/41/45/07/987414507.db2.gz XTXSZPXCUCUMLG-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1ccc(C(=O)Nc2n[nH]c(C(C)C)n2)o1 ZINC001115922331 987414511 /nfs/dbraw/zinc/41/45/11/987414511.db2.gz XTXSZPXCUCUMLG-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)c2ccsc2)n1 ZINC001115926264 987414706 /nfs/dbraw/zinc/41/47/06/987414706.db2.gz LQCPQKUZTMDYAB-UHFFFAOYSA-N 0 1 236.300 2.242 20 0 BEADMN CC(C)c1nc(NC(=O)c2ccsc2)n[nH]1 ZINC001115926264 987414712 /nfs/dbraw/zinc/41/47/12/987414712.db2.gz LQCPQKUZTMDYAB-UHFFFAOYSA-N 0 1 236.300 2.242 20 0 BEADMN CC(C)[C@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116052137 987429097 /nfs/dbraw/zinc/42/90/97/987429097.db2.gz SWWAHQHWXTWMIJ-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CN(CN1C(=O)CC1(C)C)C1CC1 ZINC001116203096 987473903 /nfs/dbraw/zinc/47/39/03/987473903.db2.gz ZLZWKCHVCFSRGU-UHFFFAOYSA-N 0 1 224.348 2.075 20 0 BEADMN CCCN1CCN(c2ncccc2OCC)CC1 ZINC001473796345 987567255 /nfs/dbraw/zinc/56/72/55/987567255.db2.gz JRTYMENFQDEUIC-UHFFFAOYSA-N 0 1 249.358 2.012 20 0 BEADMN CCc1[nH]c(C[N@H+]2C[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001597385270 987593966 /nfs/dbraw/zinc/59/39/66/987593966.db2.gz RNFDQWKIJRYTDK-DTWKUNHWSA-N 0 1 236.315 2.116 20 0 BEADMN CCc1[nH]c(C[N@H+]2CC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001597385683 987597308 /nfs/dbraw/zinc/59/73/08/987597308.db2.gz WQRRFHCKEAKMNG-ZDUSSCGKSA-N 0 1 248.326 2.260 20 0 BEADMN CC[C@@H](C)NC(=O)c1ccc2cncn2c1C ZINC001116486090 987602101 /nfs/dbraw/zinc/60/21/01/987602101.db2.gz BKPQBJHISVVLCH-SECBINFHSA-N 0 1 231.299 2.171 20 0 BEADMN O=C1OCC[C@H]1N1CCC[C@H](C2CCCC2)C1 ZINC001473886509 987602636 /nfs/dbraw/zinc/60/26/36/987602636.db2.gz CHTBJMQMGOVVSU-QWHCGFSZSA-N 0 1 237.343 2.204 20 0 BEADMN CCc1nc(NC(=O)/C=C(\C)C(C)(C)C)n[nH]1 ZINC001116503908 987607120 /nfs/dbraw/zinc/60/71/20/987607120.db2.gz QOTSIMJZDRWZDB-BQYQJAHWSA-N 0 1 236.319 2.298 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C(C)C(C)(C)C)n1 ZINC001116503908 987607122 /nfs/dbraw/zinc/60/71/22/987607122.db2.gz QOTSIMJZDRWZDB-BQYQJAHWSA-N 0 1 236.319 2.298 20 0 BEADMN Cc1c(C(=O)NCC(C)C)ccc2cncn21 ZINC001116499808 987608576 /nfs/dbraw/zinc/60/85/76/987608576.db2.gz YKFHNIGVXOOCTR-UHFFFAOYSA-N 0 1 231.299 2.029 20 0 BEADMN C[C@@H]1CN(CCc2ccc(F)cc2)[C@@H](C)CO1 ZINC001116502197 987609133 /nfs/dbraw/zinc/60/91/33/987609133.db2.gz QNQDWCFZCXNGEY-NWDGAFQWSA-N 0 1 237.318 2.477 20 0 BEADMN CC1CC(NCc2cn(-c3ccccc3)nn2)C1 ZINC001474037355 987634030 /nfs/dbraw/zinc/63/40/30/987634030.db2.gz FNZFXQDUCHEQIE-UHFFFAOYSA-N 0 1 242.326 2.155 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2cccnc2)n[nH]1 ZINC001474099997 987642077 /nfs/dbraw/zinc/64/20/77/987642077.db2.gz NUQJULQJVXZBMQ-JTQLQIEISA-N 0 1 245.330 2.174 20 0 BEADMN Cc1ccc(NC[C@@H]2CCCOC2)c(N(C)C)n1 ZINC001474097997 987643939 /nfs/dbraw/zinc/64/39/39/987643939.db2.gz UPCUGEOCOCYOMN-LBPRGKRZSA-N 0 1 249.358 2.295 20 0 BEADMN CC1(C)CC[C@@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246251549 987649248 /nfs/dbraw/zinc/64/92/48/987649248.db2.gz DQXPOTXGMMTNKL-MRVPVSSYSA-N 0 1 236.281 2.059 20 0 BEADMN FC(F)(F)C1(NC2CCC3(CC3)CC2)CNC1 ZINC001246253388 987651945 /nfs/dbraw/zinc/65/19/45/987651945.db2.gz LLOVTTPVMKGQMO-UHFFFAOYSA-N 0 1 248.292 2.203 20 0 BEADMN CC1CCC(NC2(C(F)(F)F)CNC2)CC1 ZINC001246255341 987653783 /nfs/dbraw/zinc/65/37/83/987653783.db2.gz WFKMFXLJRKHBEX-UHFFFAOYSA-N 0 1 236.281 2.059 20 0 BEADMN CCn1ccc(CN2CC[C@H](c3ccco3)C2)n1 ZINC001474380756 987705188 /nfs/dbraw/zinc/70/51/88/987705188.db2.gz BACUTKFNOAGKSY-LBPRGKRZSA-N 0 1 245.326 2.486 20 0 BEADMN CCCn1cncc1CN1CCCSCC1 ZINC001474430664 987721282 /nfs/dbraw/zinc/72/12/82/987721282.db2.gz LEIBJISDWIEUFA-UHFFFAOYSA-N 0 1 239.388 2.232 20 0 BEADMN C[C@H](F)CCNCc1ncccc1F ZINC001474541218 987752044 /nfs/dbraw/zinc/75/20/44/987752044.db2.gz JYZFRDKHBYNMPT-QMMMGPOBSA-N 0 1 200.232 2.058 20 0 BEADMN COC[C@@]1(C)CCN(Cc2cn(C3CC3)cn2)C1 ZINC001474538453 987752075 /nfs/dbraw/zinc/75/20/75/987752075.db2.gz SYIMHJLJHFNVNT-AWEZNQCLSA-N 0 1 249.358 2.076 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001116909361 987758011 /nfs/dbraw/zinc/75/80/11/987758011.db2.gz YEKXWGOVSCMZLP-ZWNOBZJWSA-N 0 1 243.310 2.171 20 0 BEADMN FC(F)n1cccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001474647396 987787983 /nfs/dbraw/zinc/78/79/83/987787983.db2.gz OTUHAKAOGFQBOO-DTORHVGOSA-N 0 1 212.243 2.335 20 0 BEADMN C[C@H]1C[C@@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC001117592948 987847530 /nfs/dbraw/zinc/84/75/30/987847530.db2.gz FDEJMOGSSFPBFU-LSJOCFKGSA-N 0 1 233.315 2.002 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)NCC(C)(F)F ZINC001117782243 987897814 /nfs/dbraw/zinc/89/78/14/987897814.db2.gz WFOFKFLJFGWEEN-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN Cc1cn[nH]c1CNc1cnc2[nH]ccc2c1C ZINC001474758088 987913603 /nfs/dbraw/zinc/91/36/03/987913603.db2.gz BREJRNWTCWQIDI-UHFFFAOYSA-N 0 1 241.298 2.467 20 0 BEADMN CCC[C@@H](C)[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246570858 988047987 /nfs/dbraw/zinc/04/79/87/988047987.db2.gz QEMXNLRREUMISR-BDAKNGLRSA-N 0 1 224.270 2.141 20 0 BEADMN CCCN(CCF)CCNC(=O)[C@H](C)C(C)C ZINC001493317122 988075503 /nfs/dbraw/zinc/07/55/03/988075503.db2.gz VLEBYOFAQPQWGX-GFCCVEGCSA-N 0 1 246.370 2.076 20 0 BEADMN Cc1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC001322007734 988076030 /nfs/dbraw/zinc/07/60/30/988076030.db2.gz SFWMGZSSXZVJHR-UHFFFAOYSA-N 0 1 239.388 2.372 20 0 BEADMN CC[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC001118177589 988078440 /nfs/dbraw/zinc/07/84/40/988078440.db2.gz UFOHFFIZWAWXHY-QMMMGPOBSA-N 0 1 242.344 2.219 20 0 BEADMN CC(C)CNCc1nc(-c2cccc(N)c2)no1 ZINC001118237611 988135546 /nfs/dbraw/zinc/13/55/46/988135546.db2.gz DSTKJHIZLWFTHN-UHFFFAOYSA-N 0 1 246.314 2.064 20 0 BEADMN C[C@@H](NC1(C)CC1)c1cc2n(n1)CCCC2 ZINC001118238699 988141459 /nfs/dbraw/zinc/14/14/59/988141459.db2.gz OFLPEABJYIGHTL-SNVBAGLBSA-N 0 1 219.332 2.423 20 0 BEADMN CS[C@H]1C[C@H](Nc2cc(C(=O)[O-])cc[nH+]2)C1 ZINC001599805275 988245811 /nfs/dbraw/zinc/24/58/11/988245811.db2.gz WAGYSFWLEIAASG-KYZUINATSA-N 0 1 238.312 2.086 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC001322483185 988297612 /nfs/dbraw/zinc/29/76/12/988297612.db2.gz AODHGBTWCMCKFW-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN COc1ccc(NCc2cc(C)[nH]n2)c(C)n1 ZINC001322794515 988380985 /nfs/dbraw/zinc/38/09/85/988380985.db2.gz MIMCAUXGVWPUEV-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN c1nnc(CNc2cccc3c2CCCC3)[nH]1 ZINC001118517145 988413482 /nfs/dbraw/zinc/41/34/82/988413482.db2.gz UILZQRMRMDFGHP-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN C[C@H](c1ccco1)N(Cc1nnc[nH]1)C1CC1 ZINC001118556803 988430147 /nfs/dbraw/zinc/43/01/47/988430147.db2.gz KURVKDACIMACCL-SECBINFHSA-N 0 1 232.287 2.123 20 0 BEADMN CC1(C)CN(Cc2nnc[nH]2)CC(C)(C)C1 ZINC001118557287 988438229 /nfs/dbraw/zinc/43/82/29/988438229.db2.gz FRGWWVHKYWJYCN-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN Clc1cccc2c1CN(Cc1nnc[nH]1)CC2 ZINC001118563068 988442042 /nfs/dbraw/zinc/44/20/42/988442042.db2.gz BERVMLPPAAENNR-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCC(=O)NC[C@H]1CCN1CC1=CCCCC1 ZINC001498913374 988513400 /nfs/dbraw/zinc/51/34/00/988513400.db2.gz QLKXINYOJQGQIL-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CON(C(=O)c1cc(C)cc2c[nH]nc21)C(C)C ZINC001118739473 988537172 /nfs/dbraw/zinc/53/71/72/988537172.db2.gz SKCLXYALGNSMKV-UHFFFAOYSA-N 0 1 247.298 2.283 20 0 BEADMN CCCC[C@H](C(=O)OCc1nnc[nH]1)C(C)C ZINC001118751709 988549856 /nfs/dbraw/zinc/54/98/56/988549856.db2.gz CSHLJMCXFAJYNK-JTQLQIEISA-N 0 1 239.319 2.310 20 0 BEADMN CC(C)OC(=O)CN(C(C)C)C(C)C ZINC001323552667 988553406 /nfs/dbraw/zinc/55/34/06/988553406.db2.gz USRIVQAHFACOAJ-UHFFFAOYSA-N 0 1 201.310 2.057 20 0 BEADMN COC[C@@H](NCc1ncoc1C(C)C)C1CC1 ZINC001323791955 988614478 /nfs/dbraw/zinc/61/44/78/988614478.db2.gz GPJZVYAHTTXIAR-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)n[nH]1 ZINC001323936939 988654933 /nfs/dbraw/zinc/65/49/33/988654933.db2.gz QFBAWVPFKMDXCM-QWHCGFSZSA-N 0 1 249.358 2.108 20 0 BEADMN CC=C(CC)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001323930746 988655410 /nfs/dbraw/zinc/65/54/10/988655410.db2.gz URIBQHHPWJSCJN-VMPITWQZSA-N 0 1 222.292 2.223 20 0 BEADMN C/C=C(\CC)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001323930746 988655414 /nfs/dbraw/zinc/65/54/14/988655414.db2.gz URIBQHHPWJSCJN-VMPITWQZSA-N 0 1 222.292 2.223 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C(F)F ZINC001548718610 988661862 /nfs/dbraw/zinc/66/18/62/988661862.db2.gz WDVJPNYRLIHYKY-SSDOTTSWSA-N 0 1 245.273 2.225 20 0 BEADMN CCCC1CCN(Cc2n[nH]c(CC)n2)CC1 ZINC001324086068 988693437 /nfs/dbraw/zinc/69/34/37/988693437.db2.gz TUDPQSGVMVEAQJ-UHFFFAOYSA-N 0 1 236.363 2.379 20 0 BEADMN CCCCc1cc(NCCN2CC=CC2)ncn1 ZINC001118926246 988704468 /nfs/dbraw/zinc/70/44/68/988704468.db2.gz GDNCXJHWXCTTQM-UHFFFAOYSA-N 0 1 246.358 2.103 20 0 BEADMN CSC[C@@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001324111338 988706547 /nfs/dbraw/zinc/70/65/47/988706547.db2.gz HCQLZQYLKQJSHO-LLVKDONJSA-N 0 1 239.388 2.293 20 0 BEADMN CSC[C@@H]1CCCN(Cc2cc(C)n[nH]2)C1 ZINC001324111338 988706587 /nfs/dbraw/zinc/70/65/87/988706587.db2.gz HCQLZQYLKQJSHO-LLVKDONJSA-N 0 1 239.388 2.293 20 0 BEADMN Cn1cc(-n2[nH]c(C3CCCCC3)cc2=O)cn1 ZINC001119066337 988825427 /nfs/dbraw/zinc/82/54/27/988825427.db2.gz VWOVSQXCZGKUMO-UHFFFAOYSA-N 0 1 246.314 2.093 20 0 BEADMN CCOC1CC2(C1)CCN(Cc1cc(C)n[nH]1)C2 ZINC001324427721 988836311 /nfs/dbraw/zinc/83/63/11/988836311.db2.gz ZFKLCEVPPCLKLB-UHFFFAOYSA-N 0 1 249.358 2.109 20 0 BEADMN COc1cc2nc(CCCCO)[nH]c2cc1F ZINC001247014305 988839807 /nfs/dbraw/zinc/83/98/07/988839807.db2.gz JLIHXMXUEGJLMM-UHFFFAOYSA-N 0 1 238.262 2.026 20 0 BEADMN CC(C)(C)n1c2cc(F)ccc2nc1CN ZINC001247041280 988847089 /nfs/dbraw/zinc/84/70/89/988847089.db2.gz WSUMYSJRYWNJHW-UHFFFAOYSA-N 0 1 221.279 2.389 20 0 BEADMN CCCOc1ccc2nc(CN)n(CC)c2c1 ZINC001247042976 988848151 /nfs/dbraw/zinc/84/81/51/988848151.db2.gz RGWYMQVTEDUOLM-UHFFFAOYSA-N 0 1 233.315 2.304 20 0 BEADMN CN1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC001247369044 988861139 /nfs/dbraw/zinc/86/11/39/988861139.db2.gz JZGWQIJRLYGKTL-UHFFFAOYSA-N 0 1 249.701 2.419 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC001601914602 988888832 /nfs/dbraw/zinc/88/88/32/988888832.db2.gz MWFPUBQXZVZEQJ-LBPRGKRZSA-N 0 1 237.343 2.363 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(N(C)C)c2)no1 ZINC001247491014 988897569 /nfs/dbraw/zinc/89/75/69/988897569.db2.gz XSZHXMOFBDINLW-VIFPVBQESA-N 0 1 246.314 2.083 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(N(C)C)c2)no1 ZINC001247491013 988898103 /nfs/dbraw/zinc/89/81/03/988898103.db2.gz XSZHXMOFBDINLW-SECBINFHSA-N 0 1 246.314 2.083 20 0 BEADMN Cc1cc(CN2CCC[C@@H](C(F)(F)F)C2)n[nH]1 ZINC001119304784 988918449 /nfs/dbraw/zinc/91/84/49/988918449.db2.gz YQBRPBXGNAYDKZ-SECBINFHSA-N 0 1 247.264 2.492 20 0 BEADMN CC/C=C/CNCc1c(Cl)nc(OC)n1C ZINC001324661557 988921302 /nfs/dbraw/zinc/92/13/02/988921302.db2.gz DPWQXPLABRSWNL-AATRIKPKSA-N 0 1 243.738 2.138 20 0 BEADMN Cc1nnc(SCC2CC(F)(F)C2)[nH]1 ZINC001324719313 988946440 /nfs/dbraw/zinc/94/64/40/988946440.db2.gz CLHFVSPCVQCSMD-UHFFFAOYSA-N 0 1 219.260 2.251 20 0 BEADMN CC/C(C)=C\C(=O)OCc1ccc2[nH]nnc2c1 ZINC001515158960 989000944 /nfs/dbraw/zinc/00/09/44/989000944.db2.gz VLQDJJAPRRWMRG-TWGQIWQCSA-N 0 1 245.282 2.357 20 0 BEADMN CC/C(C)=C\C(=O)OCc1ccc2nn[nH]c2c1 ZINC001515158960 989000959 /nfs/dbraw/zinc/00/09/59/989000959.db2.gz VLQDJJAPRRWMRG-TWGQIWQCSA-N 0 1 245.282 2.357 20 0 BEADMN NCc1cc(C(=O)NCC2(CC3CC3)CC2)co1 ZINC001119364312 989010219 /nfs/dbraw/zinc/01/02/19/989010219.db2.gz IQJXLNFHIJJWSY-UHFFFAOYSA-N 0 1 248.326 2.048 20 0 BEADMN C[C@@H]1CC[C@H](c2nc(-c3ccccn3)no2)NC1 ZINC001247821122 989025975 /nfs/dbraw/zinc/02/59/75/989025975.db2.gz WCFAOELRVGCRMA-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1ncccc1-c1noc([C@H]2CCCCN2)n1 ZINC001247802423 989027733 /nfs/dbraw/zinc/02/77/33/989027733.db2.gz HLOQAEBTPRKNFE-LLVKDONJSA-N 0 1 244.298 2.255 20 0 BEADMN C[C@@H](CNc1nccnc1CN)c1ccccc1 ZINC001515315818 989027477 /nfs/dbraw/zinc/02/74/77/989027477.db2.gz VYAQKGCYWQDAPW-NSHDSACASA-N 0 1 242.326 2.151 20 0 BEADMN CCc1ccc(CNc2nccnc2CN)s1 ZINC001515361454 989035408 /nfs/dbraw/zinc/03/54/08/989035408.db2.gz FZTCDZPCUZTWSO-UHFFFAOYSA-N 0 1 248.355 2.171 20 0 BEADMN CCc1occc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001325064551 989077968 /nfs/dbraw/zinc/07/79/68/989077968.db2.gz LXGJZKVKVNGIQW-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN CCc1occc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001325064551 989077977 /nfs/dbraw/zinc/07/79/77/989077977.db2.gz LXGJZKVKVNGIQW-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN Fc1ccc(F)c(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248227831 989085554 /nfs/dbraw/zinc/08/55/54/989085554.db2.gz GTPJIKQAEDRMQO-JTQLQIEISA-N 0 1 249.220 2.215 20 0 BEADMN Cc1cccc(-c2noc([C@H]3CCN3)n2)c1F ZINC001248285390 989089122 /nfs/dbraw/zinc/08/91/22/989089122.db2.gz IBPRYGYMABBVSN-SECBINFHSA-N 0 1 233.246 2.219 20 0 BEADMN COc1c(C)cccc1Nc1cncn1C ZINC001248516656 989111118 /nfs/dbraw/zinc/11/11/18/989111118.db2.gz GIHNRFAUWGQEBA-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN NCc1nccnc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001515909797 989127299 /nfs/dbraw/zinc/12/72/99/989127299.db2.gz WYBVXVJKZHALHU-OUAUKWLOSA-N 0 1 249.383 2.464 20 0 BEADMN Cc1ccccc1-c1noc([C@]2(C)CCN2)n1 ZINC001248722590 989135575 /nfs/dbraw/zinc/13/55/75/989135575.db2.gz ZJLQZAAOFIVCNC-ZDUSSCGKSA-N 0 1 229.283 2.254 20 0 BEADMN C[C@@]1(c2nc(-c3ccc(F)cc3)no2)CCN1 ZINC001248725492 989136903 /nfs/dbraw/zinc/13/69/03/989136903.db2.gz FQSYPTDXSOCHIE-LBPRGKRZSA-N 0 1 233.246 2.084 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccn1C1CC1 ZINC001119544460 989145854 /nfs/dbraw/zinc/14/58/54/989145854.db2.gz BNKQMMVAPKBSHD-CQSZACIVSA-N 0 1 248.326 2.262 20 0 BEADMN NCc1nccnc1NC[C@@H]1C[C@H]1C1CCCC1 ZINC001516394642 989151318 /nfs/dbraw/zinc/15/13/18/989151318.db2.gz HJTWDFNQHLYRRR-RYUDHWBXSA-N 0 1 246.358 2.174 20 0 BEADMN CC(C)Sc1nccc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC001248830217 989172678 /nfs/dbraw/zinc/17/26/78/989172678.db2.gz IJVNSGIYFINOMI-PHIMTYICSA-N 0 1 249.383 2.429 20 0 BEADMN c1cc2n(c1CN1CC3(C1)CCCOC3)CCC2 ZINC001248821617 989175880 /nfs/dbraw/zinc/17/58/80/989175880.db2.gz GWAKJDHTGAEMPC-UHFFFAOYSA-N 0 1 246.354 2.047 20 0 BEADMN COC1(C)CN(Cc2nc3ccc(C)cc3[nH]2)C1 ZINC001248839771 989189273 /nfs/dbraw/zinc/18/92/73/989189273.db2.gz XDYIBANFJOKVMP-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN C[C@@H]1C[C@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC001325467938 989189159 /nfs/dbraw/zinc/18/91/59/989189159.db2.gz FDEJMOGSSFPBFU-IEBDPFPHSA-N 0 1 233.315 2.002 20 0 BEADMN Cc1ccc2nc(CN3CCC(=O)CC3)[nH]c2c1 ZINC001248839331 989190779 /nfs/dbraw/zinc/19/07/79/989190779.db2.gz FJAQZWRQLFHGNL-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C)[C@@H](C)C1 ZINC001248856869 989193806 /nfs/dbraw/zinc/19/38/06/989193806.db2.gz ACOBDWASZHFKHE-ZJUUUORDSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1ccc2nc(CN3CCOC[C@@H]3C)[nH]c2c1 ZINC001248839560 989194322 /nfs/dbraw/zinc/19/43/22/989194322.db2.gz NRAUQZHVWGXAQT-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2nc(CN3CC[C@@H](F)C3)[nH]c2c1 ZINC001248840004 989195095 /nfs/dbraw/zinc/19/50/95/989195095.db2.gz FUGGTQDDQPCRPJ-SNVBAGLBSA-N 0 1 233.290 2.415 20 0 BEADMN COC[C@H]1CCN1Cc1nc2ccc(C)cc2[nH]1 ZINC001248844045 989195352 /nfs/dbraw/zinc/19/53/52/989195352.db2.gz KSZCBZZCKITGRX-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN O=C(CCc1nc[nH]n1)OCC=C1CCCCC1 ZINC001517104135 989197989 /nfs/dbraw/zinc/19/79/89/989197989.db2.gz HGEKEKRHYAOMSX-UHFFFAOYSA-N 0 1 249.314 2.171 20 0 BEADMN Cc1cc(CN2CC(CC(F)(F)F)C2)n[nH]1 ZINC001325501046 989198511 /nfs/dbraw/zinc/19/85/11/989198511.db2.gz AQMBBIZOKUTBNS-UHFFFAOYSA-N 0 1 233.237 2.102 20 0 BEADMN Cc1nnc(SC[C@H]2CC[C@H](C3CC3)O2)[nH]1 ZINC001119608979 989229921 /nfs/dbraw/zinc/22/99/21/989229921.db2.gz JDKCPXRTLGJZGH-NXEZZACHSA-N 0 1 239.344 2.163 20 0 BEADMN CO[C@H]1CCCN(Cc2nc(C)cc(C)n2)CC1 ZINC001248972866 989233817 /nfs/dbraw/zinc/23/38/17/989233817.db2.gz OVBQFGPNDZHNTF-ZDUSSCGKSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1cc(C)nc(CN(C)C(C)(C)C)n1 ZINC001248965933 989234172 /nfs/dbraw/zinc/23/41/72/989234172.db2.gz OZPOKDUPACDYAL-UHFFFAOYSA-N 0 1 207.321 2.324 20 0 BEADMN CCC(C)(C)[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119612078 989236054 /nfs/dbraw/zinc/23/60/54/989236054.db2.gz SNJXPUNFILQFEL-SECBINFHSA-N 0 1 242.344 2.122 20 0 BEADMN CN[C@H](c1nc(-c2ccc(C)cn2)no1)C(C)C ZINC001248999712 989238887 /nfs/dbraw/zinc/23/88/87/989238887.db2.gz HTVRWPKSWAJEBN-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CCCCNCc1nc(-c2cc(C)ccn2)no1 ZINC001249025621 989240345 /nfs/dbraw/zinc/24/03/45/989240345.db2.gz LBHJMHRDZZXFFX-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN COc1ccc2[nH]c(CN(C)CC3CC3)nc2c1 ZINC001249410689 989273608 /nfs/dbraw/zinc/27/36/08/989273608.db2.gz BWYLTRUVBAJTNT-UHFFFAOYSA-N 0 1 245.326 2.413 20 0 BEADMN Fc1cc2cc[nH]c2c(CN2CC3(COC3)C2)c1 ZINC001249521750 989294680 /nfs/dbraw/zinc/29/46/80/989294680.db2.gz AIUWEMVOCTXMBA-UHFFFAOYSA-N 0 1 246.285 2.139 20 0 BEADMN CC(C)N(C)Cc1cnc(Br)cn1 ZINC001249489066 989296130 /nfs/dbraw/zinc/29/61/30/989296130.db2.gz AGFQUPGIORTVQI-UHFFFAOYSA-N 0 1 244.136 2.079 20 0 BEADMN C(C1CCC2(CC2)CC1)N1CCc2nn[nH]c2C1 ZINC001119762769 989387775 /nfs/dbraw/zinc/38/77/75/989387775.db2.gz KMNCNLCVYBXSEJ-UHFFFAOYSA-N 0 1 246.358 2.133 20 0 BEADMN COC/C(C)=C/CN[C@@H](COC)c1ccco1 ZINC001119809878 989412345 /nfs/dbraw/zinc/41/23/45/989412345.db2.gz HHGUQWBRGFGGLK-BCMYLCSRSA-N 0 1 239.315 2.149 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC001603503246 989423665 /nfs/dbraw/zinc/42/36/65/989423665.db2.gz AGZOMKSKMPBVNR-NWDGAFQWSA-N 0 1 248.326 2.328 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC001603503421 989424587 /nfs/dbraw/zinc/42/45/87/989424587.db2.gz MBBBHSBQWKYMMH-OLZOCXBDSA-N 0 1 248.326 2.124 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC001603503425 989425726 /nfs/dbraw/zinc/42/57/26/989425726.db2.gz MBBBHSBQWKYMMH-QWHCGFSZSA-N 0 1 248.326 2.124 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(C)CC=CC2)n1 ZINC001119907690 989467486 /nfs/dbraw/zinc/46/74/86/989467486.db2.gz STZKOFFPWSORGL-UHFFFAOYSA-N 0 1 234.303 2.223 20 0 BEADMN CC(C)c1nc(NC(=O)C2(C)CC=CC2)n[nH]1 ZINC001119907690 989467498 /nfs/dbraw/zinc/46/74/98/989467498.db2.gz STZKOFFPWSORGL-UHFFFAOYSA-N 0 1 234.303 2.223 20 0 BEADMN COc1ccc(CNC/C=C\C2CC2)nc1 ZINC001119969915 989522054 /nfs/dbraw/zinc/52/20/54/989522054.db2.gz LWGDOYDCMPTDLE-IHWYPQMZSA-N 0 1 218.300 2.146 20 0 BEADMN O=C(Cc1cnc[nH]1)NC1(C2CCCCC2)CC1 ZINC001120000063 989553516 /nfs/dbraw/zinc/55/35/16/989553516.db2.gz UBTOOHXILRDJSJ-UHFFFAOYSA-N 0 1 247.342 2.181 20 0 BEADMN CC(C)c1nc(-c2nc([C@H]3CCCN3)no2)c[nH]1 ZINC001326486513 989580198 /nfs/dbraw/zinc/58/01/98/989580198.db2.gz OORNPVTUFAWBKP-MRVPVSSYSA-N 0 1 247.302 2.008 20 0 BEADMN COCCN(CCF)CCc1ccc(F)cc1 ZINC001120058933 989583867 /nfs/dbraw/zinc/58/38/67/989583867.db2.gz AFMDQWGNFHEADY-UHFFFAOYSA-N 0 1 243.297 2.286 20 0 BEADMN Cc1nnc(SCc2oc(C)nc2C)[nH]1 ZINC001326788624 989712925 /nfs/dbraw/zinc/71/29/25/989712925.db2.gz YLMZRVINTDZLJT-UHFFFAOYSA-N 0 1 224.289 2.010 20 0 BEADMN Cc1n[nH]c(SCc2oc(C)nc2C)n1 ZINC001326788624 989712935 /nfs/dbraw/zinc/71/29/35/989712935.db2.gz YLMZRVINTDZLJT-UHFFFAOYSA-N 0 1 224.289 2.010 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NCCN1CC=CC1 ZINC001326835430 989735736 /nfs/dbraw/zinc/73/57/36/989735736.db2.gz JRKRCSBQBXRIHK-CQSZACIVSA-N 0 1 238.375 2.191 20 0 BEADMN O=C(NCCc1ccco1)c1cccc(F)c1O ZINC001523179148 989894449 /nfs/dbraw/zinc/89/44/49/989894449.db2.gz FSNYVACFMCPQJH-UHFFFAOYSA-N 0 1 249.241 2.097 20 0 BEADMN CC(C)[C@H]1CN(c2nccnc2CN)[C@H]1C(C)C ZINC001120856141 989924807 /nfs/dbraw/zinc/92/48/07/989924807.db2.gz NSTTZSKULOZIPP-YPMHNXCESA-N 0 1 248.374 2.052 20 0 BEADMN CC(=O)c1ccnc(NC[C@H]2CCCCN2C)c1 ZINC001120883556 989945605 /nfs/dbraw/zinc/94/56/05/989945605.db2.gz GRFUKZNIGOYOKY-CYBMUJFWSA-N 0 1 247.342 2.180 20 0 BEADMN Cc1cc(F)cc(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC001120914458 989965656 /nfs/dbraw/zinc/96/56/56/989965656.db2.gz QAKRQVITKJCHPL-WDEREUQCSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)C[C@]1(C)CCCN1c1nccnc1CN ZINC001120938280 989976790 /nfs/dbraw/zinc/97/67/90/989976790.db2.gz NPZRJKMCVLOFRH-AWEZNQCLSA-N 0 1 248.374 2.340 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC001525873073 990082686 /nfs/dbraw/zinc/08/26/86/990082686.db2.gz KPVXLLGBNPNZEM-WCBMZHEXSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC001525873076 990083624 /nfs/dbraw/zinc/08/36/24/990083624.db2.gz KPVXLLGBNPNZEM-WPRPVWTQSA-N 0 1 235.287 2.074 20 0 BEADMN CC(C)=CC(=O)OCc1nc[nH]c1C(F)(F)F ZINC001526052514 990108790 /nfs/dbraw/zinc/10/87/90/990108790.db2.gz GQYKYSWFRDJPEM-UHFFFAOYSA-N 0 1 248.204 2.438 20 0 BEADMN CSCCCCCOC(=O)c1[nH]cnc1C ZINC001122828520 990450655 /nfs/dbraw/zinc/45/06/55/990450655.db2.gz VVQCVYHRQVISJN-UHFFFAOYSA-N 0 1 242.344 2.408 20 0 BEADMN C[C@H]1CC[C@@H](OC(=O)C23CCCN2CCC3)C1 ZINC001537623485 990509556 /nfs/dbraw/zinc/50/95/56/990509556.db2.gz DBBUQSKSMXGCDN-NWDGAFQWSA-N 0 1 237.343 2.347 20 0 BEADMN C[C@@H]1C[C@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001544011866 990708109 /nfs/dbraw/zinc/70/81/09/990708109.db2.gz FJRLXENFJMJSMI-APPZFPTMSA-N 0 1 239.702 2.431 20 0 BEADMN Cc1cc(CCC(=O)NC2C(C)(C)C2(C)C)n[nH]1 ZINC001545318151 990748963 /nfs/dbraw/zinc/74/89/63/990748963.db2.gz RFSHEOQTWQWOFY-UHFFFAOYSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1[nH]nc(CNC(=O)CC2CC(C)(C)C2)c1C ZINC001548815532 990789702 /nfs/dbraw/zinc/78/97/02/990789702.db2.gz XVZOJKNJXXYNAJ-UHFFFAOYSA-N 0 1 249.358 2.469 20 0 BEADMN CC(C)=CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001556198633 990810916 /nfs/dbraw/zinc/81/09/16/990810916.db2.gz LTIQMOZSLQDERG-SNVBAGLBSA-N 0 1 247.342 2.231 20 0 BEADMN COc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)n1 ZINC001137534177 990821307 /nfs/dbraw/zinc/82/13/07/990821307.db2.gz GLSDKYXGJFTMSF-DLOVCJGASA-N 0 1 236.290 2.023 20 0 BEADMN COC(=O)CCN(C)Cc1cccc(C)c1F ZINC001137678905 990839922 /nfs/dbraw/zinc/83/99/22/990839922.db2.gz SXBSYGYGDZOSRB-UHFFFAOYSA-N 0 1 239.290 2.129 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)c1cnncc1O ZINC001556673583 990841729 /nfs/dbraw/zinc/84/17/29/990841729.db2.gz FYVSQQOHRCPCRZ-SNVBAGLBSA-N 0 1 249.314 2.047 20 0 BEADMN CC(=O)Oc1cccc(CN2CC(C)(C)C2)c1 ZINC001138037403 990876793 /nfs/dbraw/zinc/87/67/93/990876793.db2.gz VXHQBABRULMCDT-UHFFFAOYSA-N 0 1 233.311 2.454 20 0 BEADMN CSc1cccnc1NC(=O)c1[nH]cnc1C ZINC001557346246 990886996 /nfs/dbraw/zinc/88/69/96/990886996.db2.gz DZEQFHAWGBNFAD-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1C[C@@H]2C[C@@H]2C1 ZINC001557661137 990901368 /nfs/dbraw/zinc/90/13/68/990901368.db2.gz IYGYOXKDOJGQDJ-DTORHVGOSA-N 0 1 237.686 2.138 20 0 BEADMN FC(F)C1CN(Cc2cccc3nccnc23)C1 ZINC001138309971 990910986 /nfs/dbraw/zinc/91/09/86/990910986.db2.gz WSISUDXRZMUGPA-UHFFFAOYSA-N 0 1 249.264 2.327 20 0 BEADMN c1cc(CN2CCSCC2)c2nccnc2c1 ZINC001138299528 990911197 /nfs/dbraw/zinc/91/11/97/990911197.db2.gz AJTOJAFLRJLEKC-UHFFFAOYSA-N 0 1 245.351 2.179 20 0 BEADMN CC(C)=CCC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001590922202 990918169 /nfs/dbraw/zinc/91/81/69/990918169.db2.gz TZTKDOKWBJXONQ-LLVKDONJSA-N 0 1 243.372 2.092 20 0 BEADMN O=C(Nc1c[nH]nn1)c1sccc1C(F)F ZINC001138326602 990919162 /nfs/dbraw/zinc/91/91/62/990919162.db2.gz HKIMEVDBQPZMAD-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])C[C@H]1CC1(C)C ZINC001138393959 990929566 /nfs/dbraw/zinc/92/95/66/990929566.db2.gz AOBAIJFTAVLOPC-SNVBAGLBSA-N 0 1 220.316 2.265 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])C[C@H]1CC1(C)C ZINC001138393959 990929571 /nfs/dbraw/zinc/92/95/71/990929571.db2.gz AOBAIJFTAVLOPC-SNVBAGLBSA-N 0 1 220.316 2.265 20 0 BEADMN COc1c(F)cc(CN(C)C)cc1F ZINC001138420497 990944249 /nfs/dbraw/zinc/94/42/49/990944249.db2.gz LNWBEQWYUURISK-UHFFFAOYSA-N 0 1 201.216 2.035 20 0 BEADMN COc1c(C)cc(CN2CC3(COC3)C2)cc1C ZINC001138426122 990945371 /nfs/dbraw/zinc/94/53/71/990945371.db2.gz XUPIILJNXZDEEE-UHFFFAOYSA-N 0 1 247.338 2.144 20 0 BEADMN OC[C@H](CNCc1nccs1)c1ccccc1 ZINC001308290806 990959750 /nfs/dbraw/zinc/95/97/50/990959750.db2.gz LTDJJQBIXNSAOL-LBPRGKRZSA-N 0 1 248.351 2.009 20 0 BEADMN C[C@H]1CCN1Cc1c[nH]nc1C(C)(C)C ZINC001138575613 990973011 /nfs/dbraw/zinc/97/30/11/990973011.db2.gz VEBIAUODTWSOMJ-VIFPVBQESA-N 0 1 207.321 2.301 20 0 BEADMN C=C/C=C\CC(=O)Nc1ccc2cncn2c1 ZINC001558590639 990974312 /nfs/dbraw/zinc/97/43/12/990974312.db2.gz UTKGBISPKGRQBW-ARJAWSKDSA-N 0 1 227.267 2.405 20 0 BEADMN CC(C)(C)c1n[nH]cc1CN1CC=CC1 ZINC001138575387 990976296 /nfs/dbraw/zinc/97/62/96/990976296.db2.gz QEGTUJRINZOXEG-UHFFFAOYSA-N 0 1 205.305 2.079 20 0 BEADMN CCCn1ncc(CN(C)CCSC)c1C ZINC001138642039 990992834 /nfs/dbraw/zinc/99/28/34/990992834.db2.gz IHFVGJDGVGOYOR-UHFFFAOYSA-N 0 1 241.404 2.396 20 0 BEADMN COC[C@H]1COCCN1[C@H](C)CCC=C(C)C ZINC001258096417 990999059 /nfs/dbraw/zinc/99/90/59/990999059.db2.gz PJABRYZISLCXHQ-KGLIPLIRSA-N 0 1 241.375 2.469 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001308458538 991000177 /nfs/dbraw/zinc/00/01/77/991000177.db2.gz XJKNUIVUQJRUQQ-LPEHRKFASA-N 0 1 239.750 2.352 20 0 BEADMN COC[C@@H]1COCCN1[C@@H](C)CCC=C(C)C ZINC001258096418 991002705 /nfs/dbraw/zinc/00/27/05/991002705.db2.gz PJABRYZISLCXHQ-UONOGXRCSA-N 0 1 241.375 2.469 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001258096970 991004142 /nfs/dbraw/zinc/00/41/42/991004142.db2.gz DHQBWZGMIQGBCA-QWHCGFSZSA-N 0 1 238.375 2.284 20 0 BEADMN CC1(C)CN(Cc2cnc3[nH]ccc3c2)C1 ZINC001138735981 991024606 /nfs/dbraw/zinc/02/46/06/991024606.db2.gz AUSOYPVOCBAFIF-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN Cc1ccc(CNCc2ccc3nonc3c2)o1 ZINC001308544468 991025348 /nfs/dbraw/zinc/02/53/48/991025348.db2.gz UEZRTWACLBFZPG-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1C[C@H](C)C[C@@H](C)C1 ZINC001258156788 991027756 /nfs/dbraw/zinc/02/77/56/991027756.db2.gz RWBQQUOXHZKOJM-VXGBXAGGSA-N 0 1 211.373 2.296 20 0 BEADMN CCOC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000035174350 991028206 /nfs/dbraw/zinc/02/82/06/991028206.db2.gz MVPBXSJJKIEXGS-VXGBXAGGSA-N 0 1 225.332 2.062 20 0 BEADMN COc1cc(Cl)cc(CN(C)C)c1OC ZINC001138743832 991029289 /nfs/dbraw/zinc/02/92/89/991029289.db2.gz FQVPTMWVHHGIBY-UHFFFAOYSA-N 0 1 229.707 2.419 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ncccc2C)[nH]n1 ZINC001308550019 991029528 /nfs/dbraw/zinc/02/95/28/991029528.db2.gz ZALGPKWYFGEGMK-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN C[C@H]1CCN(Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC001138776381 991039138 /nfs/dbraw/zinc/03/91/38/991039138.db2.gz SPRBENUDFGFBTM-JSGCOSHPSA-N 0 1 249.358 2.424 20 0 BEADMN FC[C@@H]1CCCN(Cc2cccnc2F)C1 ZINC001138788147 991051106 /nfs/dbraw/zinc/05/11/06/991051106.db2.gz VFYFJCLCSSDSLK-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN O[C@H]1CN(Cc2ccc3occc3c2)CC[C@H]1F ZINC001138822354 991073016 /nfs/dbraw/zinc/07/30/16/991073016.db2.gz CMFMZNFMKTZLQP-OLZOCXBDSA-N 0 1 249.285 2.338 20 0 BEADMN COC1(CN2CC(OCC(C)C)C2)CCCC1 ZINC001308641266 991074848 /nfs/dbraw/zinc/07/48/48/991074848.db2.gz IHMISIRCIMRDOW-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN c1[nH]nnc1CSc1nncc2ccccc21 ZINC001559358709 991080322 /nfs/dbraw/zinc/08/03/22/991080322.db2.gz XFPFCJWZJWQZLZ-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN Cc1cc(CN2CCC[C@H](F)CC2)nn1C ZINC001138826676 991082332 /nfs/dbraw/zinc/08/23/32/991082332.db2.gz NSMAUXLRKZLZAE-NSHDSACASA-N 0 1 225.311 2.053 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)C[C@@H]2C)nn1C ZINC001138829613 991082732 /nfs/dbraw/zinc/08/27/32/991082732.db2.gz ZHGDXBJVIMRZBX-PWSUYJOCSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cc(CN2C[C@H](C)CC23CC3)nn1C ZINC001138832047 991083706 /nfs/dbraw/zinc/08/37/06/991083706.db2.gz HNTPJWGZPKNQNH-SNVBAGLBSA-N 0 1 219.332 2.103 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001258186752 991093059 /nfs/dbraw/zinc/09/30/59/991093059.db2.gz SFFNVQKICLXWPW-WCFLWFBJSA-N 0 1 221.300 2.074 20 0 BEADMN CSCC[C@@H](C)NCc1nc(C)co1 ZINC001258198907 991115294 /nfs/dbraw/zinc/11/52/94/991115294.db2.gz QYOVVPDZJQJJLW-MRVPVSSYSA-N 0 1 214.334 2.214 20 0 BEADMN CCCn1cc(CN2CC[C@@]3(CCCO3)C2)cn1 ZINC001139038809 991128105 /nfs/dbraw/zinc/12/81/05/991128105.db2.gz BYIQDOMOWVTQPK-AWEZNQCLSA-N 0 1 249.358 2.048 20 0 BEADMN Cc1n[nH]c(C)c1CN1C[C@@H](C)C[C@H]1CF ZINC001139094334 991140483 /nfs/dbraw/zinc/14/04/83/991140483.db2.gz FOJOAXHXMAVPPK-KWQFWETISA-N 0 1 225.311 2.206 20 0 BEADMN CSCC[C@@H](C)N1CC(OC(C)C)C1 ZINC001258224684 991159761 /nfs/dbraw/zinc/15/97/61/991159761.db2.gz PUGUQLJGOKCPFP-SNVBAGLBSA-N 0 1 217.378 2.237 20 0 BEADMN c1ccc(C[C@H]2CCN2CC2=NOCC2)cc1 ZINC001559585887 991171984 /nfs/dbraw/zinc/17/19/84/991171984.db2.gz KAOZBYWSWYEOBI-CQSZACIVSA-N 0 1 230.311 2.080 20 0 BEADMN COc1nsc(CN[C@H]2CC23CC3)c1Cl ZINC001202904351 991177976 /nfs/dbraw/zinc/17/79/76/991177976.db2.gz YODOGRWOOLZHHV-ZETCQYMHSA-N 0 1 244.747 2.447 20 0 BEADMN Nc1ncc(CN2CCC[C@@H](C(F)F)C2)s1 ZINC001139227622 991204171 /nfs/dbraw/zinc/20/41/71/991204171.db2.gz MSEFPIRWJDBLNU-SSDOTTSWSA-N 0 1 247.314 2.202 20 0 BEADMN Nc1ncc(CN2CC(c3ccccc3)C2)s1 ZINC001139231093 991211078 /nfs/dbraw/zinc/21/10/78/991211078.db2.gz OHBADURASJOWPC-UHFFFAOYSA-N 0 1 245.351 2.325 20 0 BEADMN CN(Cc1ccc(=O)[nH]c1)Cc1cccc(O)c1 ZINC001139463721 991244703 /nfs/dbraw/zinc/24/47/03/991244703.db2.gz LMVZSALAZOBJRE-UHFFFAOYSA-N 0 1 244.294 2.125 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](CC)[C@H]1C ZINC001559767895 991247097 /nfs/dbraw/zinc/24/70/97/991247097.db2.gz AUPBXXJPYQHXOB-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN C1=CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139550857 991268895 /nfs/dbraw/zinc/26/88/95/991268895.db2.gz LXMSHRWLNOMXNX-UHFFFAOYSA-N 0 1 225.295 2.449 20 0 BEADMN COc1ccncc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139608905 991288191 /nfs/dbraw/zinc/28/81/91/991288191.db2.gz SIBXZRBHRKAKFX-ZMLRMANQSA-N 0 1 236.290 2.023 20 0 BEADMN c1ccc([C@H]2CCCN(CC3=NOCC3)C2)nc1 ZINC001559857546 991291404 /nfs/dbraw/zinc/29/14/04/991291404.db2.gz MYVOCRMPBODAFH-LBPRGKRZSA-N 0 1 245.326 2.037 20 0 BEADMN CCOc1ccncc1CN1CCC[C@H]1C ZINC001139627387 991300635 /nfs/dbraw/zinc/30/06/35/991300635.db2.gz PIQICQSXUGZDGH-LLVKDONJSA-N 0 1 220.316 2.465 20 0 BEADMN CCC1(CN2Cc3cccc(OC)c3C2)COC1 ZINC001202964498 991342520 /nfs/dbraw/zinc/34/25/20/991342520.db2.gz MWMGJVJYFZEKSC-UHFFFAOYSA-N 0 1 247.338 2.437 20 0 BEADMN CC[C@H](C)[C@@H](C)N1CCn2nccc2C1 ZINC001560025972 991362212 /nfs/dbraw/zinc/36/22/12/991362212.db2.gz MCLPRHOIZQCBPK-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN CCCCC[C@@H](CC)[NH2+]CC[P@](=O)([O-])O ZINC001258431696 991368213 /nfs/dbraw/zinc/36/82/13/991368213.db2.gz IHENQRPSGOMKOA-SNVBAGLBSA-N 0 1 237.280 2.113 20 0 BEADMN COCc1ccc(CN2CC[C@@H]2COC)s1 ZINC001139829814 991386137 /nfs/dbraw/zinc/38/61/37/991386137.db2.gz WOVOMNKVYJKRBK-SNVBAGLBSA-N 0 1 241.356 2.115 20 0 BEADMN Fc1cc(CN2CC[C@]3(CC3(F)F)C2)ccn1 ZINC001139833661 991388903 /nfs/dbraw/zinc/38/89/03/991388903.db2.gz LPHNEXZLQBUELK-NSHDSACASA-N 0 1 242.244 2.452 20 0 BEADMN CCCCC[C@H](CC)N1CC(NC(C)=O)C1 ZINC001258446424 991392758 /nfs/dbraw/zinc/39/27/58/991392758.db2.gz QQNCCAFUJADWPI-ZDUSSCGKSA-N 0 1 226.364 2.166 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccnc(F)c3)C[C@H]12 ZINC001139837460 991397071 /nfs/dbraw/zinc/39/70/71/991397071.db2.gz DMTOILNRNDEJMU-NEPJUHHUSA-N 0 1 248.301 2.022 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CCCC23CC3)n1 ZINC001328828933 991398104 /nfs/dbraw/zinc/39/81/04/991398104.db2.gz UCFPSBZHRJTSEO-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC001328828933 991398111 /nfs/dbraw/zinc/39/81/11/991398111.db2.gz UCFPSBZHRJTSEO-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN O[C@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC001139845676 991401545 /nfs/dbraw/zinc/40/15/45/991401545.db2.gz KXCSTORLGZJFDW-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN C[C@@H](CC1CC1)Nc1cccnc1CN ZINC001258454933 991406158 /nfs/dbraw/zinc/40/61/58/991406158.db2.gz ORRNRMVQVHRWEU-VIFPVBQESA-N 0 1 205.305 2.141 20 0 BEADMN COC(=O)C1CN(Cc2ccccc2C2CC2)C1 ZINC001139880950 991409636 /nfs/dbraw/zinc/40/96/36/991409636.db2.gz LSIRBTCJPRLURE-UHFFFAOYSA-N 0 1 245.322 2.169 20 0 BEADMN C[C@H](CC1CC1)N1CC(Oc2cccnc2)C1 ZINC001258464759 991425495 /nfs/dbraw/zinc/42/54/95/991425495.db2.gz UXVWFRSPJCTTLD-LLVKDONJSA-N 0 1 232.327 2.333 20 0 BEADMN C[N@@H+](CCc1ccccc1)Cc1cccnn1 ZINC001139968506 991434614 /nfs/dbraw/zinc/43/46/14/991434614.db2.gz NQGHWBWOAKLBAV-UHFFFAOYSA-N 0 1 227.311 2.151 20 0 BEADMN C[C@@H]1CCN(Cc2cccnn2)CCC1(F)F ZINC001139969954 991435574 /nfs/dbraw/zinc/43/55/74/991435574.db2.gz IFKLEMOTVUGIAE-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN CCOC(=O)CN(CC)[C@@H](C)CC1CC1 ZINC001258474068 991447041 /nfs/dbraw/zinc/44/70/41/991447041.db2.gz QNIVELOPGZGZOH-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1C[C@@H](C)[C@@H](F)C1 ZINC001258489073 991458523 /nfs/dbraw/zinc/45/85/23/991458523.db2.gz LXZFFLGWKZGNPY-MXWKQRLJSA-N 0 1 231.311 2.008 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2n[nH]c(N(C)C)n2)CC1 ZINC001560466809 991478973 /nfs/dbraw/zinc/47/89/73/991478973.db2.gz BYWYLRQYPXRAET-NXEZZACHSA-N 0 1 237.351 2.251 20 0 BEADMN CCN(Cc1ccnc(SC)n1)C1CC1 ZINC001140033454 991490397 /nfs/dbraw/zinc/49/03/97/991490397.db2.gz YJRQWDMEMOTESH-UHFFFAOYSA-N 0 1 223.345 2.183 20 0 BEADMN Oc1ccc(F)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001140051770 991501877 /nfs/dbraw/zinc/50/18/77/991501877.db2.gz SJORRNLQHRODMZ-CNDDSTCGSA-N 0 1 239.265 2.179 20 0 BEADMN CC1(C)CC[C@H](N2CCn3nccc3C2)C1 ZINC001258608323 991528055 /nfs/dbraw/zinc/52/80/55/991528055.db2.gz HQNDVGVCCHKOMK-NSHDSACASA-N 0 1 219.332 2.277 20 0 BEADMN CCCN(CCOC)Cc1cccc(F)n1 ZINC001140130575 991533856 /nfs/dbraw/zinc/53/38/56/991533856.db2.gz SMJNDILNJWFKFW-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN CN(CCC1CC1)Cc1cn(C2CC2)cn1 ZINC001560640846 991538785 /nfs/dbraw/zinc/53/87/85/991538785.db2.gz XLZZTBNKTZLQEM-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCCC(=O)CC1 ZINC001258623855 991555016 /nfs/dbraw/zinc/55/50/16/991555016.db2.gz JLEVKMUKXYTHAY-GFCCVEGCSA-N 0 1 232.327 2.068 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001258623906 991560637 /nfs/dbraw/zinc/56/06/37/991560637.db2.gz JWAAXIYZPORGIF-DOERSZECSA-N 0 1 234.318 2.302 20 0 BEADMN CCN(Cc1cc(-c2ccccn2)n[nH]1)C1CC1 ZINC001560697772 991563074 /nfs/dbraw/zinc/56/30/74/991563074.db2.gz OCEKPLCRGQOTPH-UHFFFAOYSA-N 0 1 242.326 2.456 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001258629583 991570393 /nfs/dbraw/zinc/57/03/93/991570393.db2.gz CZYFZSAZPHMJEH-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN CCCCC[C@@H](CCC)n1nnnc1CN ZINC001258665336 991583081 /nfs/dbraw/zinc/58/30/81/991583081.db2.gz XMWQUEDQGDZASD-SNVBAGLBSA-N 0 1 225.340 2.053 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccncc1[O-] ZINC001140281104 991597030 /nfs/dbraw/zinc/59/70/30/991597030.db2.gz WZZYQYKPFBKFOD-GFCCVEGCSA-N 0 1 220.316 2.408 20 0 BEADMN CSCCCN(C)Cc1cn(C2CC2)cn1 ZINC001560780119 991600423 /nfs/dbraw/zinc/60/04/23/991600423.db2.gz GECYWOCSIFRYOP-UHFFFAOYSA-N 0 1 239.388 2.403 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccncc1[O-] ZINC001140277815 991600663 /nfs/dbraw/zinc/60/06/63/991600663.db2.gz MXJGASDWGIIUHW-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1ccc2[nH]nc(CN(C)[C@H]3CCOC3)c2c1 ZINC001140330843 991608876 /nfs/dbraw/zinc/60/88/76/991608876.db2.gz MRKUDKAAUNSQDP-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2n[nH]c(CN(C)[C@H]3CCOC3)c2c1 ZINC001140330843 991608878 /nfs/dbraw/zinc/60/88/78/991608878.db2.gz MRKUDKAAUNSQDP-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CC(C)Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H]2C)cn1 ZINC001560834590 991615356 /nfs/dbraw/zinc/61/53/56/991615356.db2.gz RIIOLHFCGRRUDC-WFASDCNBSA-N 0 1 248.370 2.235 20 0 BEADMN CN(CCc1ccccc1F)Cc1ccncn1 ZINC001140348775 991623561 /nfs/dbraw/zinc/62/35/61/991623561.db2.gz BFRSQUSXFUUORK-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCN(Cc1nc(CO)cs1)C(C)(C)C ZINC001560854673 991625511 /nfs/dbraw/zinc/62/55/11/991625511.db2.gz KYSMNALFLDOMQJ-UHFFFAOYSA-N 0 1 228.361 2.256 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1ccncn1 ZINC001140351172 991627918 /nfs/dbraw/zinc/62/79/18/991627918.db2.gz VABZQCUYSOLMDK-LBPRGKRZSA-N 0 1 239.322 2.423 20 0 BEADMN CN(C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140402740 991635432 /nfs/dbraw/zinc/63/54/32/991635432.db2.gz OKAQIVBKYXLKQO-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001591092573 991643785 /nfs/dbraw/zinc/64/37/85/991643785.db2.gz QTNLFCIJSSGTTR-CHWSQXEVSA-N 0 1 248.326 2.185 20 0 BEADMN CC(C)[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC001591092576 991643827 /nfs/dbraw/zinc/64/38/27/991643827.db2.gz QTNLFCIJSSGTTR-STQMWFEESA-N 0 1 248.326 2.185 20 0 BEADMN CN(Cc1cn(C2CC2)cn1)C(C)(C)C ZINC001560900005 991644751 /nfs/dbraw/zinc/64/47/51/991644751.db2.gz IZHMXODIDQFBTM-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN Cc1cc(CN2C[C@@H](C)[C@@H](F)C2)ccc1O ZINC001140574603 991674403 /nfs/dbraw/zinc/67/44/03/991674403.db2.gz KPPNYTDWOCGITL-PWSUYJOCSA-N 0 1 223.291 2.490 20 0 BEADMN CC(C)[C@H]1CC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC001591094664 991675492 /nfs/dbraw/zinc/67/54/92/991675492.db2.gz PCWQLTPPASJNJV-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC001318861802 991726783 /nfs/dbraw/zinc/72/67/83/991726783.db2.gz ZDASMBTUNOEFLL-MYJAWHEDSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001318861802 991726791 /nfs/dbraw/zinc/72/67/91/991726791.db2.gz ZDASMBTUNOEFLL-MYJAWHEDSA-N 0 1 248.330 2.303 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598412067 991736908 /nfs/dbraw/zinc/73/69/08/991736908.db2.gz YFSLJFZEARDGEH-OLZOCXBDSA-N 0 1 233.311 2.339 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001598417775 991743812 /nfs/dbraw/zinc/74/38/12/991743812.db2.gz HBSSOKWJGKNERR-OCAPTIKFSA-N 0 1 239.237 2.124 20 0 BEADMN CC(=O)NC1CN(C2CCC(C(C)C)CC2)C1 ZINC001258804334 991803121 /nfs/dbraw/zinc/80/31/21/991803121.db2.gz UAKUKMXWSUACPD-UHFFFAOYSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cnc(CN)n1[C@@H]1CCC[C@H](C)C1 ZINC001258808566 991816065 /nfs/dbraw/zinc/81/60/65/991816065.db2.gz RLRGBUFPQRALSA-GXSJLCMTSA-N 0 1 207.321 2.401 20 0 BEADMN COC(=O)CN(CC(C)C)[C@@H]1C=CCCC1 ZINC001319254963 991825431 /nfs/dbraw/zinc/82/54/31/991825431.db2.gz GWIZQFVOCJIBRH-GFCCVEGCSA-N 0 1 225.332 2.226 20 0 BEADMN COc1ccccc1C[C@H](C)n1ccnc1CN ZINC001258877409 991883433 /nfs/dbraw/zinc/88/34/33/991883433.db2.gz PQUWRIBZUVXIBJ-NSHDSACASA-N 0 1 245.326 2.154 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CC2(CCO2)C1 ZINC001258852071 991883762 /nfs/dbraw/zinc/88/37/62/991883762.db2.gz XMAQBKOZIASCFU-CQSZACIVSA-N 0 1 231.339 2.482 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CCO[C@@H]2C[C@@H]21 ZINC001258853446 991884224 /nfs/dbraw/zinc/88/42/24/991884224.db2.gz YIXISQBVAKOEGK-QLFBSQMISA-N 0 1 231.339 2.481 20 0 BEADMN COc1ccccc1C[C@H](C)N1CCO[C@H](C)C1 ZINC001258887878 991886796 /nfs/dbraw/zinc/88/67/96/991886796.db2.gz HGXSVBKMCJEGPU-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN CCN([C@@H](C)Cc1ccccc1OC)C1COC1 ZINC001258894482 991891582 /nfs/dbraw/zinc/89/15/82/991891582.db2.gz YYFINCPBLNZFMC-LBPRGKRZSA-N 0 1 249.354 2.347 20 0 BEADMN C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C(=O)[O-] ZINC001598449919 991902721 /nfs/dbraw/zinc/90/27/21/991902721.db2.gz FIIJUOQAVOFZOH-AYMMMOKOSA-N 0 1 247.285 2.073 20 0 BEADMN CN(C)c1ncc(CN2CC(C)(C)C2(C)C)cn1 ZINC001319707686 991947791 /nfs/dbraw/zinc/94/77/91/991947791.db2.gz VZWKADWIMGJOGA-UHFFFAOYSA-N 0 1 248.374 2.163 20 0 BEADMN CCC(=O)N1CCC[C@@H](N(C)C[C@H](F)CC)C1 ZINC001567185045 991953856 /nfs/dbraw/zinc/95/38/56/991953856.db2.gz OQUPOPZLQSPUOM-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1ncc(NS(=O)(=O)C2CCCC2)s1 ZINC001259793432 991979024 /nfs/dbraw/zinc/97/90/24/991979024.db2.gz APZYJCRBRINDPN-UHFFFAOYSA-N 0 1 246.357 2.136 20 0 BEADMN O=S(=O)(Nc1ccco1)C1CCCCC1 ZINC001259809136 991994339 /nfs/dbraw/zinc/99/43/39/991994339.db2.gz GQPVSLJGOQHSCB-UHFFFAOYSA-N 0 1 229.301 2.354 20 0 BEADMN Cc1c(C(=O)NCC2(C)CC2)ccc2cncn21 ZINC001320029867 992076431 /nfs/dbraw/zinc/07/64/31/992076431.db2.gz CXCYZMJUFQOGIO-UHFFFAOYSA-N 0 1 243.310 2.173 20 0 BEADMN Cc1n[nH]c(=O)c(CN[C@H](C)c2ccoc2)c1C ZINC001320025713 992076530 /nfs/dbraw/zinc/07/65/30/992076530.db2.gz HLVPCMPXRIUHSQ-SNVBAGLBSA-N 0 1 247.298 2.243 20 0 BEADMN CCCCCCC(=O)NC1CN(CC(C)C)C1 ZINC001567815432 992097188 /nfs/dbraw/zinc/09/71/88/992097188.db2.gz NTNBUVAANWBMOM-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1c(C(=O)OCCCF)ccc2cncn21 ZINC001320181944 992122178 /nfs/dbraw/zinc/12/21/78/992122178.db2.gz CVTGOHHKVLISCZ-UHFFFAOYSA-N 0 1 236.246 2.159 20 0 BEADMN CCC(C)(C)N(C)C(=O)CCN1CC[C@@H](F)C1 ZINC001568582098 992192293 /nfs/dbraw/zinc/19/22/93/992192293.db2.gz NDFWDPFKLVOITA-LLVKDONJSA-N 0 1 244.354 2.067 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591286913 992227026 /nfs/dbraw/zinc/22/70/26/992227026.db2.gz BMYQKMLXDJCRPC-MRVPVSSYSA-N 0 1 242.344 2.490 20 0 BEADMN Cc1cc(CN2CCCC(C)(C)C2)[nH]n1 ZINC001320630567 992280990 /nfs/dbraw/zinc/28/09/90/992280990.db2.gz SVQAJNYECIVHSG-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(C)C ZINC001591320413 992283036 /nfs/dbraw/zinc/28/30/36/992283036.db2.gz CVIUWYZSEBFYFB-NXEZZACHSA-N 0 1 249.301 2.319 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C(C)C ZINC001591320415 992283549 /nfs/dbraw/zinc/28/35/49/992283549.db2.gz CVIUWYZSEBFYFB-VHSXEESVSA-N 0 1 249.301 2.319 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)C ZINC001591320414 992283610 /nfs/dbraw/zinc/28/36/10/992283610.db2.gz CVIUWYZSEBFYFB-UWVGGRQHSA-N 0 1 249.301 2.319 20 0 BEADMN c1cnn(-c2ccncc2NCc2cc[nH]c2)c1 ZINC001320657287 992297789 /nfs/dbraw/zinc/29/77/89/992297789.db2.gz KAOMIXVJXCKHQS-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN CC(C)CCN1CC(N(C)C(=O)CC(C)C)C1 ZINC001569481987 992396370 /nfs/dbraw/zinc/39/63/70/992396370.db2.gz NJITVHFDQMKLRC-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CC1(C(=O)OCc2nnc[nH]2)CCC1 ZINC001261585515 992406093 /nfs/dbraw/zinc/40/60/93/992406093.db2.gz ALJBASFUOUXWLK-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)OCc1nnc[nH]1 ZINC001261584859 992408174 /nfs/dbraw/zinc/40/81/74/992408174.db2.gz LDBAEHVRVBVAGI-VIFPVBQESA-N 0 1 237.303 2.064 20 0 BEADMN O=C(NOCC1CC1)c1ccc(Cl)c(O)c1 ZINC001569588015 992408902 /nfs/dbraw/zinc/40/89/02/992408902.db2.gz OAVUDVNFNOWFIW-UHFFFAOYSA-N 0 1 241.674 2.117 20 0 BEADMN COc1c(C)ccc(NCc2nnc[nH]2)c1C ZINC001261647465 992444024 /nfs/dbraw/zinc/44/40/24/992444024.db2.gz UTCGAYPAGAUKPO-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CCOC(COc1cc(C)nc(C)c1)OCC ZINC001321077147 992447227 /nfs/dbraw/zinc/44/72/27/992447227.db2.gz WIWJEEINTXZWNS-UHFFFAOYSA-N 0 1 239.315 2.476 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001261676791 992460313 /nfs/dbraw/zinc/46/03/13/992460313.db2.gz UYEGRPMXZXNNOT-BBBLOLIVSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC001261676791 992460317 /nfs/dbraw/zinc/46/03/17/992460317.db2.gz UYEGRPMXZXNNOT-BBBLOLIVSA-N 0 1 248.330 2.303 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@@H](C)C[C@H]2C)n[nH]1 ZINC001570511828 992478494 /nfs/dbraw/zinc/47/84/94/992478494.db2.gz PNXQPLUYEMKHMG-ZYHUDNBSSA-N 0 1 249.358 2.298 20 0 BEADMN CC(=O)NC[C@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001570691205 992495319 /nfs/dbraw/zinc/49/53/19/992495319.db2.gz QHVOJDQHKJBUNR-VIFPVBQESA-N 0 1 240.372 2.013 20 0 BEADMN CC(=O)NC[C@H](C)N(C)Cc1csc(C)c1 ZINC001570691205 992495326 /nfs/dbraw/zinc/49/53/26/992495326.db2.gz QHVOJDQHKJBUNR-VIFPVBQESA-N 0 1 240.372 2.013 20 0 BEADMN CCn1ncnc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001321327357 992515312 /nfs/dbraw/zinc/51/53/12/992515312.db2.gz VRMJZSUCTRDUFS-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN CCC(C)(CC)C(=O)NC/C=C/CNCCF ZINC001321402664 992534322 /nfs/dbraw/zinc/53/43/22/992534322.db2.gz IURWLAAVCPVWOJ-VOTSOKGWSA-N 0 1 244.354 2.044 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])[nH]1)C[C@H]1CC1(C)C ZINC001598509322 992548831 /nfs/dbraw/zinc/54/88/31/992548831.db2.gz QXYQXYXOGUNSFS-SECBINFHSA-N 0 1 236.315 2.191 20 0 BEADMN C[C@H]1CCc2[nH]n(CC3CC3)c(=O)c2C1 ZINC001261890641 992563549 /nfs/dbraw/zinc/56/35/49/992563549.db2.gz KESXTYJRYSSNTA-WPRPVWTQSA-N 0 1 206.289 2.031 20 0 BEADMN Cn1ccc(-n2[nH]c(C3CCCCC3)cc2=O)n1 ZINC001261890544 992565927 /nfs/dbraw/zinc/56/59/27/992565927.db2.gz HWAOXHVNMMKOAC-UHFFFAOYSA-N 0 1 246.314 2.093 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C1CCCCC1)N(C)C ZINC001261905907 992572520 /nfs/dbraw/zinc/57/25/20/992572520.db2.gz BQJFNHQEQZKQKH-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1)C(=O)[O-] ZINC001573388641 992611561 /nfs/dbraw/zinc/61/15/61/992611561.db2.gz MSWHRRGUNILPJR-AUSMANPISA-N 0 1 247.338 2.161 20 0 BEADMN CC(C)SCC[N@H+]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC001573526469 992625860 /nfs/dbraw/zinc/62/58/60/992625860.db2.gz RGAFXCKECLQOFA-AXFHLTTASA-N 0 1 243.372 2.066 20 0 BEADMN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCCN2)[C@@H](C)C1 ZINC001573641512 992666760 /nfs/dbraw/zinc/66/67/60/992666760.db2.gz NYVVJRWMZJUESL-NOOOWODRSA-N 0 1 225.332 2.106 20 0 BEADMN CCC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@H](C)C(=O)[O-] ZINC001573752408 992694830 /nfs/dbraw/zinc/69/48/30/992694830.db2.gz JOVILGNZILQNNZ-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccn1C(F)F ZINC001573752753 992697428 /nfs/dbraw/zinc/69/74/28/992697428.db2.gz QMUUEPIVAMDUDA-UHFFFAOYSA-N 0 1 246.257 2.180 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCSC(CC)(CC)C1 ZINC001573767837 992702026 /nfs/dbraw/zinc/70/20/26/992702026.db2.gz GSIHKXGDQZKMHZ-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN Cc1cn[nH]c1CSCc1cnc(C)nc1 ZINC001262159113 992718705 /nfs/dbraw/zinc/71/87/05/992718705.db2.gz JXGGFMXNQVPSRY-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CCNc1ccccc1C[N@@H+](C)CCC(=O)[O-] ZINC001573888496 992745180 /nfs/dbraw/zinc/74/51/80/992745180.db2.gz XVMYSVNBNBORGS-UHFFFAOYSA-N 0 1 236.315 2.025 20 0 BEADMN COC[C@@H](CSc1nnc(C)[nH]1)C(C)C ZINC001262191252 992784410 /nfs/dbraw/zinc/78/44/10/992784410.db2.gz OTFWPEKDPCEKFP-VIFPVBQESA-N 0 1 229.349 2.124 20 0 BEADMN Cc1scc(COC(=O)[C@H]2CCCN2)c1C ZINC001574207810 992820424 /nfs/dbraw/zinc/82/04/24/992820424.db2.gz BNGSQZIWIAORIK-LLVKDONJSA-N 0 1 239.340 2.160 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C/C=C\Cl ZINC001574267496 992828899 /nfs/dbraw/zinc/82/88/99/992828899.db2.gz ZBNBLPPXFRLFJF-UCOPNCLCSA-N 0 1 217.696 2.067 20 0 BEADMN CC[C@@H](C(=O)Nc1cccnc1C1CC1)N(C)C ZINC001262349139 992851839 /nfs/dbraw/zinc/85/18/39/992851839.db2.gz HACMYKLBTOXLSH-LBPRGKRZSA-N 0 1 247.342 2.238 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574461236 992864451 /nfs/dbraw/zinc/86/44/51/992864451.db2.gz LWKDLHLJPKTAHF-SECBINFHSA-N 0 1 236.315 2.333 20 0 BEADMN C[S@](=O)c1ccc(CNC/C=C\Cl)cc1 ZINC001262378894 992871035 /nfs/dbraw/zinc/87/10/35/992871035.db2.gz NVXIGHXMBQGHGU-HPTQEQEDSA-N 0 1 243.759 2.266 20 0 BEADMN C[S@](=O)c1ccc(CNC/C=C/Cl)cc1 ZINC001262378895 992871644 /nfs/dbraw/zinc/87/16/44/992871644.db2.gz NVXIGHXMBQGHGU-HYNJPGQWSA-N 0 1 243.759 2.266 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001574558851 992878277 /nfs/dbraw/zinc/87/82/77/992878277.db2.gz ILGGBUBXSSGYLT-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001574558850 992878854 /nfs/dbraw/zinc/87/88/54/992878854.db2.gz ILGGBUBXSSGYLT-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@H]2C(=O)[O-])cc1C ZINC001574711627 992892322 /nfs/dbraw/zinc/89/23/22/992892322.db2.gz XQZHHMSBTJNLSK-AWEZNQCLSA-N 0 1 247.338 2.395 20 0 BEADMN CC1CCC(C)(C(=O)NCCN2CCC2)CC1 ZINC001262615293 992964506 /nfs/dbraw/zinc/96/45/06/992964506.db2.gz GQHXHJSORONDPL-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@H]1CCCN1C(=O)c1cc(CC)[nH]n1 ZINC001262647219 993000264 /nfs/dbraw/zinc/00/02/64/993000264.db2.gz XZXDPBHVUGHJOA-NSHDSACASA-N 0 1 235.331 2.377 20 0 BEADMN C[C@H]1c2ccccc2CN1c1nccnc1CN ZINC001262702900 993043809 /nfs/dbraw/zinc/04/38/09/993043809.db2.gz NVOSOZQFFWGLKG-JTQLQIEISA-N 0 1 240.310 2.017 20 0 BEADMN CC(C)(C)CC(=O)OCc1ccc2[nH]nnc2c1 ZINC001263289869 993209421 /nfs/dbraw/zinc/20/94/21/993209421.db2.gz UGQOUFPCNLOBOJ-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CC(C)(C)CC(=O)OCc1ccc2nn[nH]c2c1 ZINC001263289869 993209427 /nfs/dbraw/zinc/20/94/27/993209427.db2.gz UGQOUFPCNLOBOJ-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CN1CC(CNc2ncc(Cl)cc2Cl)C1 ZINC000379433023 993244317 /nfs/dbraw/zinc/24/43/17/993244317.db2.gz IFMZFYAOQQVNSJ-UHFFFAOYSA-N 0 1 246.141 2.362 20 0 BEADMN CCN(CC)C(=O)c1[nH]nc2cc(F)ccc21 ZINC000585253853 993246541 /nfs/dbraw/zinc/24/65/41/993246541.db2.gz OEHSORZMJMZVHQ-UHFFFAOYSA-N 0 1 235.262 2.184 20 0 BEADMN CCCCNc1nc2[nH]cnc2cc1Cl ZINC000379915515 993292388 /nfs/dbraw/zinc/29/23/88/993292388.db2.gz BTRZDTXQHKDNGR-UHFFFAOYSA-N 0 1 224.695 2.245 20 0 BEADMN CC1(C)Nc2ccccc2[C@@H]1NCC1=NOCC1 ZINC001576493628 993320326 /nfs/dbraw/zinc/32/03/26/993320326.db2.gz RFBCOPCOTJACIL-ZDUSSCGKSA-N 0 1 245.326 2.298 20 0 BEADMN N#Cc1cc(F)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000380381874 993327800 /nfs/dbraw/zinc/32/78/00/993327800.db2.gz QPRPIPIJEPROAI-TXEJJXNPSA-N 0 1 216.259 2.149 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CCCCS1 ZINC001263490376 993340093 /nfs/dbraw/zinc/34/00/93/993340093.db2.gz QHSFHPMTDCXAGE-SECBINFHSA-N 0 1 240.328 2.161 20 0 BEADMN Cc1cnc(CN[C@@H](C)CC(F)(F)F)cn1 ZINC000381455020 993397074 /nfs/dbraw/zinc/39/70/74/993397074.db2.gz JCEUOYGFADDIPF-ZETCQYMHSA-N 0 1 233.237 2.216 20 0 BEADMN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001576769940 993414734 /nfs/dbraw/zinc/41/47/34/993414734.db2.gz RMRWKNRDHSABLV-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cnc(NCCCOC(C)C)c(N)c1 ZINC000383265462 993487345 /nfs/dbraw/zinc/48/73/45/993487345.db2.gz GUPVCEQPQWCQJL-UHFFFAOYSA-N 0 1 223.320 2.199 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001263801507 993528438 /nfs/dbraw/zinc/52/84/38/993528438.db2.gz MXAGQUSLNXIPLK-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@](C)(CC)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001577325275 993590518 /nfs/dbraw/zinc/59/05/18/993590518.db2.gz VTWOEMCWHQTUME-BZPMIXESSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@](C)(CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001577325278 993591917 /nfs/dbraw/zinc/59/19/17/993591917.db2.gz VTWOEMCWHQTUME-SCRDCRAPSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(F)ccc1-c1noc([C@H]2CCN2)n1 ZINC000384842930 993634010 /nfs/dbraw/zinc/63/40/10/993634010.db2.gz VYAXXFICTUVVHL-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN CC(C)n1ccc(-n2c(N)nc3ccccc32)n1 ZINC000385315331 993654986 /nfs/dbraw/zinc/65/49/86/993654986.db2.gz FIXYRPRPVNZDCK-UHFFFAOYSA-N 0 1 241.298 2.215 20 0 BEADMN CCN(CCC1CC1)CC(=O)OC(C)C ZINC000385236636 993655006 /nfs/dbraw/zinc/65/50/06/993655006.db2.gz VXRFGJJWGVJQDL-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CO[C@@H](C)CNc1ccc2[nH]c(C)nc2c1 ZINC000386610938 993691974 /nfs/dbraw/zinc/69/19/74/993691974.db2.gz WPEVRYQFPYAPKY-QMMMGPOBSA-N 0 1 219.288 2.318 20 0 BEADMN CC[C@H](F)CN(C)C[C@@H]1CCCCN1C(C)=O ZINC001264736639 993743805 /nfs/dbraw/zinc/74/38/05/993743805.db2.gz YBNRSGOPASZRQO-STQMWFEESA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H](C(=O)NCCCN(C)CCF)C(C)(C)C ZINC001265874949 993962775 /nfs/dbraw/zinc/96/27/75/993962775.db2.gz RBVUALFCQRYUPV-LLVKDONJSA-N 0 1 246.370 2.076 20 0 BEADMN C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])co1)c1cn[nH]c1 ZINC001593197638 994163933 /nfs/dbraw/zinc/16/39/33/994163933.db2.gz KJGDSSGRRAQDTJ-YUMQZZPRSA-N 0 1 249.270 2.113 20 0 BEADMN C[C@H]([NH2+]CC(C)(C)F)c1ncc(C(=O)[O-])s1 ZINC001593239194 994421072 /nfs/dbraw/zinc/42/10/72/994421072.db2.gz CMSSIQSFJNMIBT-LURJTMIESA-N 0 1 246.307 2.240 20 0 BEADMN CC(C)[C@H](NCc1nnc[nH]1)c1ccccc1F ZINC001333607545 994483759 /nfs/dbraw/zinc/48/37/59/994483759.db2.gz ZLRQUEJOYZSDOL-ZDUSSCGKSA-N 0 1 248.305 2.431 20 0 BEADMN C[C@H]([C@H](C)C(=O)NC[C@H]1CC[N@H+]1C)C(C)(C)C ZINC001289119261 994489529 /nfs/dbraw/zinc/48/95/29/994489529.db2.gz FDUDDQRSABTERB-QJPTWQEYSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H]([C@H](C)C(=O)NC[C@H]1CCN1C)C(C)(C)C ZINC001289119261 994489536 /nfs/dbraw/zinc/48/95/36/994489536.db2.gz FDUDDQRSABTERB-QJPTWQEYSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](NC(=O)C=C1CC[C@H](C)C1)c1ncc[nH]1 ZINC001306847668 994535629 /nfs/dbraw/zinc/53/56/29/994535629.db2.gz RNCUQQQGLZHNIJ-YNMOXFEVSA-N 0 1 233.315 2.333 20 0 BEADMN CCC[C@H](CC)NC(=O)CCc1cc(C)[nH]n1 ZINC001292487108 994619258 /nfs/dbraw/zinc/61/92/58/994619258.db2.gz LAUDZWZBFOFQRP-NSHDSACASA-N 0 1 237.347 2.346 20 0 BEADMN CCN1CC[C@H]1C(=O)N1CCC[C@@H]1CC(C)C ZINC001292677591 994621153 /nfs/dbraw/zinc/62/11/53/994621153.db2.gz SWVGVKVEQUCBEA-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(C)c(O)c2)[nH]1 ZINC001294758839 994715777 /nfs/dbraw/zinc/71/57/77/994715777.db2.gz UVMCTMYAQHLSKJ-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC/C=C\CNC(=O)c1cc(F)cc(F)c1O ZINC001298520285 994929316 /nfs/dbraw/zinc/92/93/16/994929316.db2.gz UMIGGVSYSMEQRF-ARJAWSKDSA-N 0 1 241.237 2.366 20 0 BEADMN C/C=C\C(=O)Nc1ccc(F)c(F)c1O ZINC001299046656 994969978 /nfs/dbraw/zinc/96/99/78/994969978.db2.gz NSDXEMRLGAGCTB-IHWYPQMZSA-N 0 1 213.183 2.185 20 0 BEADMN Cc1sccc1NC(=O)c1ncccc1O ZINC001302371549 995118698 /nfs/dbraw/zinc/11/86/98/995118698.db2.gz KJBJEBBFMVCURE-UHFFFAOYSA-N 0 1 234.280 2.409 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001304106574 995190191 /nfs/dbraw/zinc/19/01/91/995190191.db2.gz BZLQVQFCAYYPEW-MWLCHTKSSA-N 0 1 235.331 2.195 20 0 BEADMN CC(C)c1ncc(CNC(=O)c2ccco2)[nH]1 ZINC001304105684 995190544 /nfs/dbraw/zinc/19/05/44/995190544.db2.gz RBWLIXSNQUDWNF-UHFFFAOYSA-N 0 1 233.271 2.056 20 0 BEADMN COc1nscc1CN1CCC[C@@H]1C ZINC001307494156 995384764 /nfs/dbraw/zinc/38/47/64/995384764.db2.gz QYQSRFGSSLQRDW-QMMMGPOBSA-N 0 1 212.318 2.136 20 0 BEADMN Cc1cccc([C@H](C)NCC2=NOCC2)c1 ZINC001307602178 995416258 /nfs/dbraw/zinc/41/62/58/995416258.db2.gz PMDYKLSWFXIAEQ-NSHDSACASA-N 0 1 218.300 2.422 20 0 BEADMN CC(C)N(C[C@@H]1CCCC(C)(C)O1)C1COC1 ZINC001307792763 995465910 /nfs/dbraw/zinc/46/59/10/995465910.db2.gz GANTVDNADIABMA-ZDUSSCGKSA-N 0 1 241.375 2.443 20 0 BEADMN CCCN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001307855393 995484598 /nfs/dbraw/zinc/48/45/98/995484598.db2.gz SQWRAFQSZCGCOG-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCCN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001307855392 995486695 /nfs/dbraw/zinc/48/66/95/995486695.db2.gz SQWRAFQSZCGCOG-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C)Cc1ncccn1 ZINC001308035991 995532145 /nfs/dbraw/zinc/53/21/45/995532145.db2.gz MLKASTUUSZYRPI-WDEREUQCSA-N 0 1 207.321 2.343 20 0 BEADMN CCOc1nnc(CN[C@H](C)C2(C)CC2)s1 ZINC001308134354 995560671 /nfs/dbraw/zinc/56/06/71/995560671.db2.gz QJPIBHSEIRONQY-MRVPVSSYSA-N 0 1 241.360 2.215 20 0 BEADMN Cc1conc1CN1C[C@H]2CSC[C@@]2(C)C1 ZINC001308135034 995561476 /nfs/dbraw/zinc/56/14/76/995561476.db2.gz VMYGEOGJEGWBQP-CMPLNLGQSA-N 0 1 238.356 2.168 20 0 BEADMN C[C@H](O)c1ccc(CNCc2cnsc2)cc1 ZINC001308224903 995599287 /nfs/dbraw/zinc/59/92/87/995599287.db2.gz OOHKRZKFBBKCAT-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001593717570 996236139 /nfs/dbraw/zinc/23/61/39/996236139.db2.gz MYIKMMAZKWCMRW-GOONRYMUSA-N 0 1 249.285 2.149 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)C1CCC1 ZINC001593733605 996318920 /nfs/dbraw/zinc/31/89/20/996318920.db2.gz IFPDPUZPPDEWLE-ZETCQYMHSA-N 0 1 240.328 2.387 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](CCCCC(=O)[O-])C1 ZINC001594109361 998191461 /nfs/dbraw/zinc/19/14/61/998191461.db2.gz DYCRBWXWLCNAPE-JTQLQIEISA-N 0 1 211.305 2.139 20 0 BEADMN CC1=C[C@@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC001594110395 998209612 /nfs/dbraw/zinc/20/96/12/998209612.db2.gz VPPIGZQNLNYXNM-SECBINFHSA-N 0 1 232.283 2.182 20 0 BEADMN C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(=O)[O-] ZINC001594216700 998833337 /nfs/dbraw/zinc/83/33/37/998833337.db2.gz WZHWKLXVSGIVOA-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594277110 999071869 /nfs/dbraw/zinc/07/18/69/999071869.db2.gz BVBDWQPKXLHXLW-CIQGVGRVSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC001594279318 999083544 /nfs/dbraw/zinc/08/35/44/999083544.db2.gz DPAZYZOGYPLOPC-NGZCFLSTSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC001594279318 999083547 /nfs/dbraw/zinc/08/35/47/999083547.db2.gz DPAZYZOGYPLOPC-NGZCFLSTSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001594374952 999413293 /nfs/dbraw/zinc/41/32/93/999413293.db2.gz HXFDXEWGPVEBKI-JTQLQIEISA-N 0 1 236.315 2.098 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001594382919 999444520 /nfs/dbraw/zinc/44/45/20/999444520.db2.gz IFIQGULQIKEPHS-BBBLOLIVSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@H]1C ZINC001594387803 999467721 /nfs/dbraw/zinc/46/77/21/999467721.db2.gz NTFMIZVJJHZSKB-SFYZADRCSA-N 0 1 240.328 2.387 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@@H](C)C1 ZINC001594413109 999544102 /nfs/dbraw/zinc/54/41/02/999544102.db2.gz XVTHSTVMOBCLLR-SFYZADRCSA-N 0 1 240.328 2.244 20 0 BEADMN ClC1(Cl)C[C@@H]1CSCc1nnc[nH]1 ZINC001458920605 1170031766 /nfs/dbraw/zinc/03/17/66/1170031766.db2.gz WJQNGNWXFKJMKJ-RXMQYKEDSA-N 0 1 238.143 2.232 20 0 BEADMN Cn1ccnc1CN[C@@H]1C[C@H]1Cc1ccccc1 ZINC001620802822 1170152033 /nfs/dbraw/zinc/15/20/33/1170152033.db2.gz YNNPIAFZNSNXDL-ZIAGYGMSSA-N 0 1 241.338 2.141 20 0 BEADMN Cc1nocc1CNCc1cccc2c[nH]nc21 ZINC001621026892 1170183427 /nfs/dbraw/zinc/18/34/27/1170183427.db2.gz WFTLGZZIXRCTCQ-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CCC3)C2)[nH]1 ZINC001608881517 1170207758 /nfs/dbraw/zinc/20/77/58/1170207758.db2.gz BKXVSOLCNLFJMD-UHFFFAOYSA-N 0 1 234.299 2.089 20 0 BEADMN CC1(C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1(C)C ZINC001609818081 1170295043 /nfs/dbraw/zinc/29/50/43/1170295043.db2.gz HJKYJKIIBVIAOA-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CC1=C[C@@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001609828623 1170298381 /nfs/dbraw/zinc/29/83/81/1170298381.db2.gz JNHNJIFBWCMPTB-ZWNOBZJWSA-N 0 1 246.310 2.105 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1CCc1ccccc1C(=O)[O-] ZINC001609840655 1170297857 /nfs/dbraw/zinc/29/78/57/1170297857.db2.gz IPSZUFBEJFHBPP-PHIMTYICSA-N 0 1 233.311 2.410 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001609852419 1170301347 /nfs/dbraw/zinc/30/13/47/1170301347.db2.gz LESOAQLJTZZKMP-SNVBAGLBSA-N 0 1 236.315 2.098 20 0 BEADMN CC(=CC(=O)Nc1nnc(C)[nH]1)c1cccs1 ZINC001610939748 1170424573 /nfs/dbraw/zinc/42/45/73/1170424573.db2.gz JFYIXUVNQRVFFM-SREVYHEPSA-N 0 1 248.311 2.217 20 0 BEADMN CC(=CC(=O)Nc1nc(C)n[nH]1)c1cccs1 ZINC001610939748 1170424576 /nfs/dbraw/zinc/42/45/76/1170424576.db2.gz JFYIXUVNQRVFFM-SREVYHEPSA-N 0 1 248.311 2.217 20 0 BEADMN C[C@@H](N[C@H](C)C1CCOCC1)c1csnn1 ZINC001616728436 1170565370 /nfs/dbraw/zinc/56/53/70/1170565370.db2.gz DXYBRIVZUCOYMM-RKDXNWHRSA-N 0 1 241.360 2.004 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)C1CCOCC1 ZINC001616728426 1170566078 /nfs/dbraw/zinc/56/60/78/1170566078.db2.gz DXYBRIVZUCOYMM-BDAKNGLRSA-N 0 1 241.360 2.004 20 0 BEADMN COc1ccc(C2(NCC3=NOCC3)CC2)cc1 ZINC001616795216 1170568132 /nfs/dbraw/zinc/56/81/32/1170568132.db2.gz UNZDPUXGTYNNTD-UHFFFAOYSA-N 0 1 246.310 2.050 20 0 BEADMN O=C(NC1CCCCCC1)c1[nH]ncc1F ZINC001618027360 1170613452 /nfs/dbraw/zinc/61/34/52/1170613452.db2.gz PTNMXXHCJHGDDY-UHFFFAOYSA-N 0 1 225.267 2.001 20 0 BEADMN C[C@@H]1[C@H](C)N([C@H]2C=CCCC2)[C@@H](C)C(=O)N1C ZINC001618874299 1170653152 /nfs/dbraw/zinc/65/31/52/1170653152.db2.gz UJJJIKPKQBVXCW-VOAKCMCISA-N 0 1 236.359 2.035 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)s1 ZINC001621110607 1170663722 /nfs/dbraw/zinc/66/37/22/1170663722.db2.gz ZFEMJHNEXFWVEV-JMJZKYOTSA-N 0 1 238.356 2.115 20 0 BEADMN O=c1[nH]c(C2CC2)nc2c1CN(CC1CCC1)C2 ZINC001620551808 1170681940 /nfs/dbraw/zinc/68/19/40/1170681940.db2.gz ZQZUPBSODTXHHA-UHFFFAOYSA-N 0 1 245.326 2.175 20 0 BEADMN Cc1[nH]ncc1CNc1cnc2[nH]ccc2c1 ZINC001621068602 1170707271 /nfs/dbraw/zinc/70/72/71/1170707271.db2.gz RYSFXIIMJNJUAL-UHFFFAOYSA-N 0 1 227.271 2.158 20 0 BEADMN Cl/C=C/CNCc1ccnn1-c1ccccn1 ZINC001621096306 1170714693 /nfs/dbraw/zinc/71/46/93/1170714693.db2.gz LNCJNFHWNQMRMP-ZZXKWVIFSA-N 0 1 248.717 2.109 20 0 BEADMN CCCn1cncc1CN(C)CCCSC ZINC001621278003 1170762910 /nfs/dbraw/zinc/76/29/10/1170762910.db2.gz BJJTUAWLUZWCTH-UHFFFAOYSA-N 0 1 241.404 2.478 20 0 BEADMN CS[C@H]1CCN(Cc2ncccc2F)C1 ZINC001621359528 1170778622 /nfs/dbraw/zinc/77/86/22/1170778622.db2.gz GQDWOEVDSYCSBX-VIFPVBQESA-N 0 1 226.320 2.158 20 0 BEADMN COc1nc(CN2C[C@H](C)[C@H]2C)ccc1C ZINC001621360022 1170779808 /nfs/dbraw/zinc/77/98/08/1170779808.db2.gz UDAPYOFDPUJJFZ-WDEREUQCSA-N 0 1 220.316 2.239 20 0 BEADMN CC(C)(O)C1CN(Cc2cc3cccnc3o2)C1 ZINC001621381293 1170790533 /nfs/dbraw/zinc/79/05/33/1170790533.db2.gz ZPOMZDCROBIQIT-UHFFFAOYSA-N 0 1 246.310 2.031 20 0 BEADMN CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000036125460 1170909740 /nfs/dbraw/zinc/90/97/40/1170909740.db2.gz DGCDARATKMRBOS-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C/C=C(\C)C(=O)NCCCCc1ccnc(N)c1 ZINC001649193072 1170960792 /nfs/dbraw/zinc/96/07/92/1170960792.db2.gz BSYFHWAOCXBYHK-QDEBKDIKSA-N 0 1 247.342 2.069 20 0 BEADMN CC(C)c1coc(NC(=O)CCc2cnc[nH]2)n1 ZINC001624525983 1171042544 /nfs/dbraw/zinc/04/25/44/1171042544.db2.gz VRSCOZJZXLLVAJ-UHFFFAOYSA-N 0 1 248.286 2.092 20 0 BEADMN CS/C=C/C(=O)NCc1ccc2nc[nH]c2c1 ZINC001624615852 1171047183 /nfs/dbraw/zinc/04/71/83/1171047183.db2.gz WHUYOVGQKMDGHQ-SNAWJCMRSA-N 0 1 247.323 2.056 20 0 BEADMN CCC[C@H](C)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001624939261 1171065672 /nfs/dbraw/zinc/06/56/72/1171065672.db2.gz RBEPXUXRUOKWQM-ZJUUUORDSA-N 0 1 249.358 2.453 20 0 BEADMN CC(=CC(=O)NCc1cnc[nH]1)c1cccs1 ZINC001628407541 1171232184 /nfs/dbraw/zinc/23/21/84/1171232184.db2.gz CSEQROAOWOVPLW-WEVVVXLNSA-N 0 1 247.323 2.191 20 0 BEADMN COC(=O)[C@H](C)N(C)C1CCC(C)CC1 ZINC000043628841 1171310632 /nfs/dbraw/zinc/31/06/32/1171310632.db2.gz QOGWLYDDZJEQKV-YVNMAJEFSA-N 0 1 213.321 2.058 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043638626 1171311688 /nfs/dbraw/zinc/31/16/88/1171311688.db2.gz GDTZMPBWUWXIDK-RWMBFGLXSA-N 0 1 239.359 2.450 20 0 BEADMN CC(Cl)=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001629418436 1171314825 /nfs/dbraw/zinc/31/48/25/1171314825.db2.gz XTAWREGWGDINKL-GQCTYLIASA-N 0 1 236.662 2.039 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H](C(C)C)C2CC2)n[nH]1 ZINC001630016643 1171363387 /nfs/dbraw/zinc/36/33/87/1171363387.db2.gz LDBMXMLIZCZOOH-AWEZNQCLSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(CCC(=O)N2[C@H](C)CC[C@@H]2C)n[nH]1 ZINC001630191393 1171372589 /nfs/dbraw/zinc/37/25/89/1171372589.db2.gz VVGVUWSTFDOVKC-PHIMTYICSA-N 0 1 235.331 2.050 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)[C@H](C)N(C)C ZINC001632831421 1171538718 /nfs/dbraw/zinc/53/87/18/1171538718.db2.gz GUHFMJYAUOVLLM-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C)c(C)c(O)c1 ZINC001633357287 1171573620 /nfs/dbraw/zinc/57/36/20/1171573620.db2.gz DSWWCPYEQAXPNN-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001634002869 1171616296 /nfs/dbraw/zinc/61/62/96/1171616296.db2.gz CPXBOUHFZJKKRO-DTWKUNHWSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1nnc(S[C@H](C)c2cccnc2)[nH]1 ZINC000048834399 1171649461 /nfs/dbraw/zinc/64/94/61/1171649461.db2.gz WZTLMVQWUVMIAF-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1n[nH]c(S[C@H](C)c2cccnc2)n1 ZINC000048834399 1171649469 /nfs/dbraw/zinc/64/94/69/1171649469.db2.gz WZTLMVQWUVMIAF-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001635194030 1171702108 /nfs/dbraw/zinc/70/21/08/1171702108.db2.gz LQNDAYBFTQLCQX-VIFPVBQESA-N 0 1 229.283 2.045 20 0 BEADMN CCCC=CC(=O)NCc1nc2c([nH]1)CCCC2 ZINC001635855101 1171767666 /nfs/dbraw/zinc/76/76/66/1171767666.db2.gz ZQXKNHCNUUSEID-WTKPLQERSA-N 0 1 247.342 2.261 20 0 BEADMN CCC1CN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001637457671 1171931345 /nfs/dbraw/zinc/93/13/45/1171931345.db2.gz GAMJXNSRDXTJLR-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN CC[C@H]1COCCN1C[C@](C)(O)c1ccccc1 ZINC000052097032 1171941874 /nfs/dbraw/zinc/94/18/74/1171941874.db2.gz IQGUPOQKMYDGEZ-GJZGRUSLSA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000572370477 398136037 /nfs/dbraw/zinc/13/60/37/398136037.db2.gz SBQTWTJLJABLEF-VIFPVBQESA-N 0 1 249.301 2.464 20 0 BEADMN C[C@@H](NCC1=CCCOC1)c1ccc(F)cn1 ZINC000286912878 398136156 /nfs/dbraw/zinc/13/61/56/398136156.db2.gz FCRZIDXWHXJXTM-SNVBAGLBSA-N 0 1 236.290 2.218 20 0 BEADMN Cc1nc(CNC[C@H]2CCCC[C@@H]2O)cs1 ZINC000082991341 349440558 /nfs/dbraw/zinc/44/05/58/349440558.db2.gz OZXQRLAVYLVAJN-PWSUYJOCSA-N 0 1 240.372 2.092 20 0 BEADMN CCC(CC)(CC)NC(=O)C[N@@H+](C)C(C)C ZINC000357400745 168315988 /nfs/dbraw/zinc/31/59/88/168315988.db2.gz WJGLUFSJOGAEJP-UHFFFAOYSA-N 0 1 228.380 2.412 20 0 BEADMN CCCCN(C(=O)Cc1ccn[nH]1)[C@H](C)CC ZINC000266791682 538913719 /nfs/dbraw/zinc/91/37/19/538913719.db2.gz BHJXJYXCOBTGOP-LLVKDONJSA-N 0 1 237.347 2.379 20 0 BEADMN CCC(CC)(CC)NCc1nc(C)no1 ZINC000309175321 168317477 /nfs/dbraw/zinc/31/74/77/168317477.db2.gz MMAIMUAJFWUQJO-UHFFFAOYSA-N 0 1 211.309 2.436 20 0 BEADMN CCCCN(CC)CC(=O)Nc1nccs1 ZINC000070946378 398142534 /nfs/dbraw/zinc/14/25/34/398142534.db2.gz VVGVXJCDTUQVOZ-UHFFFAOYSA-N 0 1 241.360 2.204 20 0 BEADMN CCC(CC)(CCO)NCc1cc(C)on1 ZINC000282383975 168321220 /nfs/dbraw/zinc/32/12/20/168321220.db2.gz GFLGMTJHBJVCAB-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN Cc1ccnc([C@@H](C)N[C@H](CO)CC(F)F)c1 ZINC000353588317 398144463 /nfs/dbraw/zinc/14/44/63/398144463.db2.gz LSDPCXFSHJLTDM-ZJUUUORDSA-N 0 1 244.285 2.057 20 0 BEADMN CCC[C@@](C)(CO)NCc1nc2ccccc2o1 ZINC000605421572 343978362 /nfs/dbraw/zinc/97/83/62/343978362.db2.gz MGVTUBYWABFFCB-AWEZNQCLSA-N 0 1 248.326 2.469 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000300982287 349490587 /nfs/dbraw/zinc/49/05/87/349490587.db2.gz SEIZCCSMUNXJGX-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1F)CC1CC1 ZINC000062753148 349492397 /nfs/dbraw/zinc/49/23/97/349492397.db2.gz SBPHCZKUCGVJRQ-UHFFFAOYSA-N 0 1 237.274 2.366 20 0 BEADMN CCC(CC)(CO)CN[C@@H](C)c1cc(C)on1 ZINC000340518289 168327886 /nfs/dbraw/zinc/32/78/86/168327886.db2.gz HQCBAKQSAGPCMP-NSHDSACASA-N 0 1 240.347 2.432 20 0 BEADMN COc1cccc(CN2CCC2(C)C)n1 ZINC000580269766 346815170 /nfs/dbraw/zinc/81/51/70/346815170.db2.gz ZCAIJUZEMWVDTP-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cc(F)ccc1F ZINC000649866347 398149119 /nfs/dbraw/zinc/14/91/19/398149119.db2.gz QZLBNSWGUFOEGX-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cnn(C)c1CNCc1cc(C)nc(C)c1 ZINC000421374834 192322805 /nfs/dbraw/zinc/32/28/05/192322805.db2.gz HNAAPJMBSIDOMT-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN Cc1cc(CN2CC[C@H](C3CC3)C2)no1 ZINC000336379702 178001509 /nfs/dbraw/zinc/00/15/09/178001509.db2.gz RTNWYIUKJCONAP-NSHDSACASA-N 0 1 206.289 2.215 20 0 BEADMN Cc1cc(CN2CC[C@H](OCC(C)C)C2)on1 ZINC000336698486 178002731 /nfs/dbraw/zinc/00/27/31/178002731.db2.gz KJPREVBHFZYRAF-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1cc(CN2CC[C@H](OCC(C)C)C2)ncn1 ZINC000292563339 178003490 /nfs/dbraw/zinc/00/34/90/178003490.db2.gz RWFAYKNDAQPTOL-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN COC1CCC(N[C@H](C)C(F)F)CC1 ZINC000389952994 398151043 /nfs/dbraw/zinc/15/10/43/398151043.db2.gz XTPDZWHKONHHDJ-AFPNSQJFSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1cc(CNC2Cc3ccccc3C2)no1 ZINC000044692725 178019385 /nfs/dbraw/zinc/01/93/85/178019385.db2.gz GDJRXOXAMUELTD-UHFFFAOYSA-N 0 1 228.295 2.240 20 0 BEADMN Cc1cc(CNCc2ccc(C)c(F)c2)n(C)n1 ZINC000283884524 178025930 /nfs/dbraw/zinc/02/59/30/178025930.db2.gz JGXWECKXURQWCA-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1cc(CNCc2ccnn2C)cs1 ZINC000286071982 178026433 /nfs/dbraw/zinc/02/64/33/178026433.db2.gz YHPVWSUPHZXOGP-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1cc(CNCc2csc(C)c2)n(C)n1 ZINC000294188130 178027716 /nfs/dbraw/zinc/02/77/16/178027716.db2.gz KTIKCXPZMKUIOC-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1cc(CNCc2cccs2)[nH]n1 ZINC000041050796 178027758 /nfs/dbraw/zinc/02/77/58/178027758.db2.gz ZROPJQWNXVDLCG-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN CCOCCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900459 398170515 /nfs/dbraw/zinc/17/05/15/398170515.db2.gz DGMSKYWOVBYSPM-UHFFFAOYSA-N 0 1 222.332 2.248 20 0 BEADMN Cc1cc(CN[C@H](C)C(=O)NC(C)C)cs1 ZINC000336643807 178036710 /nfs/dbraw/zinc/03/67/10/178036710.db2.gz BGPBNNOMRZYAIA-SNVBAGLBSA-N 0 1 240.372 2.059 20 0 BEADMN Cc1ccc(CN(C)CCOCC(C)C)nc1 ZINC000649904132 398176083 /nfs/dbraw/zinc/17/60/83/398176083.db2.gz MDFALFZIORPJFR-UHFFFAOYSA-N 0 1 236.359 2.494 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)C(C)C)n[nH]1 ZINC000178194664 178055312 /nfs/dbraw/zinc/05/53/12/178055312.db2.gz JDVVKLKEEKZPOK-MWLCHTKSSA-N 0 1 237.347 2.057 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000185758899 178056195 /nfs/dbraw/zinc/05/61/95/178056195.db2.gz HIHJUXAKWGQZMN-BIMULSAOSA-N 0 1 249.358 2.057 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@H]1NCC(F)(F)CN ZINC000423343912 398166202 /nfs/dbraw/zinc/16/62/02/398166202.db2.gz MHAOZFQTEUGWFI-HBNTYKKESA-N 0 1 234.334 2.385 20 0 BEADMN C[C@@H](c1ccccc1)[C@H](O)CN1CC[C@H](F)C1 ZINC000649940629 398191621 /nfs/dbraw/zinc/19/16/21/398191621.db2.gz RENSMGTYDJVZMF-FPMFFAJLSA-N 0 1 237.318 2.195 20 0 BEADMN C[C@@H](c1ccccc1)[C@@H](O)CN1CC[C@@H](F)C1 ZINC000649946054 398193362 /nfs/dbraw/zinc/19/33/62/398193362.db2.gz RENSMGTYDJVZMF-YUTCNCBUSA-N 0 1 237.318 2.195 20 0 BEADMN Cc1ccoc1CNc1nc(C)cc(N(C)C)n1 ZINC000283826067 178097187 /nfs/dbraw/zinc/09/71/87/178097187.db2.gz QNWSNYVCTKBULZ-UHFFFAOYSA-N 0 1 246.314 2.365 20 0 BEADMN CC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000334289792 398195809 /nfs/dbraw/zinc/19/58/09/398195809.db2.gz BOJSFBFBTFLLJA-GFCCVEGCSA-N 0 1 234.299 2.030 20 0 BEADMN CC(C)CCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913392 398185314 /nfs/dbraw/zinc/18/53/14/398185314.db2.gz IXZIRCPLEJFVRN-CHWSQXEVSA-N 0 1 241.375 2.301 20 0 BEADMN CC(C)Cc1ccc(CNCc2c[nH]nn2)cc1 ZINC000398345569 398200660 /nfs/dbraw/zinc/20/06/60/398200660.db2.gz PHXDTJISVWLPFI-UHFFFAOYSA-N 0 1 244.342 2.293 20 0 BEADMN Cc1cc(NC(=O)CN(C)C(C)C)ccc1F ZINC000103099589 178131340 /nfs/dbraw/zinc/13/13/40/178131340.db2.gz XALALNDGLJYXEM-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN C[C@H]1C[C@@H](NCc2ncn(C)n2)CC(C)(C)C1 ZINC000092851215 398206523 /nfs/dbraw/zinc/20/65/23/398206523.db2.gz ZAKOLTPQSPRPKA-WDEREUQCSA-N 0 1 236.363 2.120 20 0 BEADMN Cc1ccncc1CN[C@@H](C(N)=O)C(C)(C)C ZINC000331034157 398215718 /nfs/dbraw/zinc/21/57/18/398215718.db2.gz KRCZLHOVSXKPCS-NSHDSACASA-N 0 1 235.331 2.430 20 0 BEADMN CCC(CC)(CC)C(=O)N1CCN[C@H](C)C1 ZINC000647807543 398216420 /nfs/dbraw/zinc/21/64/20/398216420.db2.gz PRNMRQINCJCSKB-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](CC(=O)NCc1cnc[nH]1)C(C)C ZINC000331089790 398217679 /nfs/dbraw/zinc/21/76/79/398217679.db2.gz UNCOQGLZCNLRFV-SNVBAGLBSA-N 0 1 223.320 2.098 20 0 BEADMN CCc1noc(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000650013959 398218015 /nfs/dbraw/zinc/21/80/15/398218015.db2.gz PAGHZJYXWCIHPC-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN C[C@@H](C[N@@H+](CCC(C)(F)F)C1CC1)C(=O)[O-] ZINC000576352998 365574979 /nfs/dbraw/zinc/57/49/79/365574979.db2.gz LQWUIWOOZSMXOC-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN C[N@@H+](CCc1cccs1)CC1(C(=O)[O-])CC1 ZINC000258872766 349519064 /nfs/dbraw/zinc/51/90/64/349519064.db2.gz IBADEJCMDQZLNA-UHFFFAOYSA-N 0 1 239.340 2.087 20 0 BEADMN CCC(CC)CC(=O)N1CCN(CC)C[C@@H]1C ZINC000341766412 168343605 /nfs/dbraw/zinc/34/36/05/168343605.db2.gz AZTGIESWYCRZNM-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)n1cncc1CN1CC(C2CC2)C1 ZINC000644903785 398218817 /nfs/dbraw/zinc/21/88/17/398218817.db2.gz VZCHQZHXUQVARJ-UHFFFAOYSA-N 0 1 219.332 2.306 20 0 BEADMN COC[C@@H](C)N(C)Cc1scnc1C1CC1 ZINC000495159536 538927634 /nfs/dbraw/zinc/92/76/34/538927634.db2.gz URXBQRHSJDULLT-SECBINFHSA-N 0 1 240.372 2.487 20 0 BEADMN CC(C)OCCN1C[C@H](C)OC2(CCC2)C1 ZINC000520806552 398210356 /nfs/dbraw/zinc/21/03/56/398210356.db2.gz VYHSCQRXEHMXOP-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN COc1ccncc1CNCc1ccc(O)cc1 ZINC000386479741 398210777 /nfs/dbraw/zinc/21/07/77/398210777.db2.gz VVRCSPZUNWCIHB-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN Cc1cc(NCCCO)c2cc(F)ccc2n1 ZINC000119731387 178159681 /nfs/dbraw/zinc/15/96/81/178159681.db2.gz AADJPAFSXNVKPF-UHFFFAOYSA-N 0 1 234.274 2.477 20 0 BEADMN Cc1cc(NC[C@H](c2ccco2)N(C)C)ncn1 ZINC000301251551 178169225 /nfs/dbraw/zinc/16/92/25/178169225.db2.gz PVWLVKUXVGAQPF-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN CCc1nc(CN[C@H](C)c2ccccc2F)n[nH]1 ZINC000274594139 538930179 /nfs/dbraw/zinc/93/01/79/538930179.db2.gz KUFFDTHGSLXLKP-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000264261284 187332070 /nfs/dbraw/zinc/33/20/70/187332070.db2.gz QHHCOOSYAJZGGL-JTQLQIEISA-N 0 1 221.304 2.060 20 0 BEADMN CCC(CC)CN(CC)Cc1nccc(N)n1 ZINC000134985546 168350612 /nfs/dbraw/zinc/35/06/12/168350612.db2.gz UBTQADQZPSGABS-UHFFFAOYSA-N 0 1 236.363 2.317 20 0 BEADMN C[C@@H](C(=O)N1CC(C)(C)CCC1(C)C)N(C)C ZINC000628532580 398222999 /nfs/dbraw/zinc/22/29/99/398222999.db2.gz QUNQHSXCYBWKAT-NSHDSACASA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)CN(CC)c1nccnc1CN ZINC000054377385 168351179 /nfs/dbraw/zinc/35/11/79/168351179.db2.gz OTBXPUGZWUXTMI-UHFFFAOYSA-N 0 1 236.363 2.198 20 0 BEADMN CCN(CC)Cc1cn2c(cccc2C)n1 ZINC000007263908 259302353 /nfs/dbraw/zinc/30/23/53/259302353.db2.gz FFLQPEVHXXBLLZ-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)C[C@H](CC)O1 ZINC000421390187 192326631 /nfs/dbraw/zinc/32/66/31/192326631.db2.gz NPSBCHIOOJLRGT-OKILXGFUSA-N 0 1 236.359 2.415 20 0 BEADMN CC[C@@H]1CN(Cc2cccn2C)C[C@@H](CC)O1 ZINC000421392715 192327936 /nfs/dbraw/zinc/32/79/36/192327936.db2.gz RFTZYWODWOTVCZ-ZIAGYGMSSA-N 0 1 236.359 2.415 20 0 BEADMN Cc1cc(CN[C@@H]2CC23CCCC3)on1 ZINC000387199591 398227271 /nfs/dbraw/zinc/22/72/71/398227271.db2.gz XCWRHYYNHWPGBD-LLVKDONJSA-N 0 1 206.289 2.405 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2CCCCCC2)n1 ZINC000177911733 178202725 /nfs/dbraw/zinc/20/27/25/178202725.db2.gz YJFDZSWZOYJKIB-NSHDSACASA-N 0 1 235.331 2.428 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000368083362 178203213 /nfs/dbraw/zinc/20/32/13/178203213.db2.gz LBAPUQOEIARFOK-QJPTWQEYSA-N 0 1 247.342 2.426 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000629882975 361753926 /nfs/dbraw/zinc/75/39/26/361753926.db2.gz RCBHVJNIAPTEGN-OTDNITJGSA-N 0 1 233.315 2.228 20 0 BEADMN COc1ccccc1CN1CC[C@@]12CCOC2 ZINC000421397750 192329176 /nfs/dbraw/zinc/32/91/76/192329176.db2.gz MVIGDEYXQOKKQB-AWEZNQCLSA-N 0 1 233.311 2.060 20 0 BEADMN COc1ccc(CN2CC[C@]23CCOC3)cc1C ZINC000421404206 192330838 /nfs/dbraw/zinc/33/08/38/192330838.db2.gz YIECJTVXTBGHHP-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)cc(C)c1O ZINC000421402775 192331540 /nfs/dbraw/zinc/33/15/40/192331540.db2.gz MVMHNMOSXMSZID-HNNXBMFYSA-N 0 1 247.338 2.374 20 0 BEADMN Cc1cc([C@@H](C)NCC(=O)N(C)C)c(C)s1 ZINC000037225266 178223476 /nfs/dbraw/zinc/22/34/76/178223476.db2.gz NCCGYGBZXNTTGE-SECBINFHSA-N 0 1 240.372 2.104 20 0 BEADMN Cc1cc([C@@H](C)NCC[C@H](O)C(C)C)no1 ZINC000330364673 178224047 /nfs/dbraw/zinc/22/40/47/178224047.db2.gz ULCMAPOEJPNUPK-PWSUYJOCSA-N 0 1 226.320 2.041 20 0 BEADMN CCC(CC)CN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361663843 168354797 /nfs/dbraw/zinc/35/47/97/168354797.db2.gz XJAJBQFEGGIKSD-QWRGUYRKSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CCO)C(C)(C)C)no1 ZINC000330799353 178230516 /nfs/dbraw/zinc/23/05/16/178230516.db2.gz BXFMGIOYIVOPSB-PWSUYJOCSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CCO)C(C)C)no1 ZINC000290612768 178230674 /nfs/dbraw/zinc/23/06/74/178230674.db2.gz IAYSCMHTYDOSEZ-MNOVXSKESA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CO)CC(C)(C)C)no1 ZINC000330810912 178230942 /nfs/dbraw/zinc/23/09/42/178230942.db2.gz KATYBCUWBOUWKE-GHMZBOCLSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2CCSC2)no1 ZINC000282741100 178233230 /nfs/dbraw/zinc/23/32/30/178233230.db2.gz NDYCKLFOLSUGTR-BDAKNGLRSA-N 0 1 212.318 2.139 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CO)CC2CCC2)no1 ZINC000353674786 178233368 /nfs/dbraw/zinc/23/33/68/178233368.db2.gz XKQOHZGDIKQLMC-PWSUYJOCSA-N 0 1 238.331 2.185 20 0 BEADMN CCC[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000280042338 538936516 /nfs/dbraw/zinc/93/65/16/538936516.db2.gz VNKZGRNVDYBMOR-LBPRGKRZSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1cc([C@H](C)NCC2(C(F)F)CC2)nn1C ZINC000337495628 178244960 /nfs/dbraw/zinc/24/49/60/178244960.db2.gz YDNLGYNLHLERFB-VIFPVBQESA-N 0 1 243.301 2.424 20 0 BEADMN Cc1cc([C@H](C)NCC(C)(C)C[C@H](C)O)no1 ZINC000330991259 178245692 /nfs/dbraw/zinc/24/56/92/178245692.db2.gz MXTCRUMZJNEGLF-ONGXEEELSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2CO)no1 ZINC000330960466 178253335 /nfs/dbraw/zinc/25/33/35/178253335.db2.gz ASISALICRBRVBU-QJPTWQEYSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccco2)nn1C ZINC000337493002 178248688 /nfs/dbraw/zinc/24/86/88/178248688.db2.gz XDPIUOVVERGILH-NSHDSACASA-N 0 1 233.315 2.215 20 0 BEADMN C[C@H](N[C@@H]1COc2ccccc2C1)c1ncc[nH]1 ZINC000279101168 538935452 /nfs/dbraw/zinc/93/54/52/538935452.db2.gz VENIYAVKJFEFJQ-JQWIXIFHSA-N 0 1 243.310 2.064 20 0 BEADMN Cc1cc([C@H](C)NCC[C@H](C)F)no1 ZINC000336655451 178249433 /nfs/dbraw/zinc/24/94/33/178249433.db2.gz NUFBBFRFGAQBOU-CBAPKCEASA-N 0 1 200.257 2.382 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](C)C[C@@H](C)O)no1 ZINC000279577624 178250669 /nfs/dbraw/zinc/25/06/69/178250669.db2.gz MOUOOVGCVIHGFH-KKZNHRDASA-N 0 1 226.320 2.041 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000366182519 168359202 /nfs/dbraw/zinc/35/92/02/168359202.db2.gz JTNVIASNGBSFGN-NSHDSACASA-N 0 1 249.358 2.382 20 0 BEADMN CC(=O)N1CCN(Cc2cccc(C)c2)[C@H](C)C1 ZINC000268622578 187333340 /nfs/dbraw/zinc/33/33/40/187333340.db2.gz AMURBGOOOZOHTD-CYBMUJFWSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)C(=O)N(C)C)c(C)o1 ZINC000036794406 178252326 /nfs/dbraw/zinc/25/23/26/178252326.db2.gz NDQOVXMRPQWMEI-UWVGGRQHSA-N 0 1 238.331 2.024 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CSC[C@H]2C)no1 ZINC000336770182 178254968 /nfs/dbraw/zinc/25/49/68/178254968.db2.gz WIWJRVIWGKXQNZ-POZPLHJXSA-N 0 1 226.345 2.385 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCO[C@@H](C)C2)no1 ZINC000282831412 178258393 /nfs/dbraw/zinc/25/83/93/178258393.db2.gz ZHTPXNIMHWPWCG-LSJOCFKGSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CO)CC(C)C)no1 ZINC000284118141 178258845 /nfs/dbraw/zinc/25/88/45/178258845.db2.gz NQMPNYJSTIGQCE-QWRGUYRKSA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000629964792 361812019 /nfs/dbraw/zinc/81/20/19/361812019.db2.gz IPJGGAHUANHDRP-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CN(CC(=O)N[C@@H]1CCCC1(C)C)C1CCC1 ZINC000629968931 361815260 /nfs/dbraw/zinc/81/52/60/361815260.db2.gz FHMREVSKENBUOC-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc([C@H]2CCCN2C[C@@H](O)C(C)C)no1 ZINC000374092436 178265945 /nfs/dbraw/zinc/26/59/45/178265945.db2.gz DVRWKUCBBIPCMG-CHWSQXEVSA-N 0 1 238.331 2.137 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)CCc1cnc[nH]1 ZINC000281355073 538938623 /nfs/dbraw/zinc/93/86/23/538938623.db2.gz XAESVYTZFGWRPP-CMPLNLGQSA-N 0 1 235.331 2.132 20 0 BEADMN CC(C)N(CC1CCC1)C(=O)CCc1cnc[nH]1 ZINC000281443506 538939174 /nfs/dbraw/zinc/93/91/74/538939174.db2.gz BZWHPBFZPGSHIQ-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN C[N@@H+](CC1(CC(=O)[O-])CC1)C(C1CC1)C1CC1 ZINC000576523040 365617240 /nfs/dbraw/zinc/61/72/40/365617240.db2.gz LDRFGAYHBMNGLF-UHFFFAOYSA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000629974093 361823323 /nfs/dbraw/zinc/82/33/23/361823323.db2.gz LGJYASPCIRPALQ-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000576492362 365610422 /nfs/dbraw/zinc/61/04/22/365610422.db2.gz GAFPVSUQORNVJZ-DTWKUNHWSA-N 0 1 245.282 2.150 20 0 BEADMN CCOCc1ccc(-c2nnc[nH]2)cc1F ZINC000649438622 398240504 /nfs/dbraw/zinc/24/05/04/398240504.db2.gz JOKOESSKNYCJRK-UHFFFAOYSA-N 0 1 221.235 2.147 20 0 BEADMN C[C@@H](NCCOc1ccc(F)cc1)c1ncc[nH]1 ZINC000286193141 538943051 /nfs/dbraw/zinc/94/30/51/538943051.db2.gz RJGCZZGAKVQPLT-SNVBAGLBSA-N 0 1 249.289 2.278 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)CC1(C(=O)[O-])CC1 ZINC000258918158 349534932 /nfs/dbraw/zinc/53/49/32/349534932.db2.gz MZKIZLYIDYQPBD-UHFFFAOYSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@H]1CCC[C@H](N(C)c2ncnc3[nH]cnc32)C1 ZINC000073772058 343994195 /nfs/dbraw/zinc/99/41/95/343994195.db2.gz FBXJJBYWIFYEPI-UWVGGRQHSA-N 0 1 245.330 2.368 20 0 BEADMN Cc1cc(-c2cc(C(F)(F)F)n[nH]2)nn1C ZINC000649444277 398246541 /nfs/dbraw/zinc/24/65/41/398246541.db2.gz KXYCRDCSUUATEK-UHFFFAOYSA-N 0 1 230.193 2.137 20 0 BEADMN C[C@H](NCCOc1cccc(F)c1)c1ncc[nH]1 ZINC000286078013 538943398 /nfs/dbraw/zinc/94/33/98/538943398.db2.gz MFKKUNBLFPVDFC-JTQLQIEISA-N 0 1 249.289 2.278 20 0 BEADMN CCC(CC)CNc1ccncc1C(N)=O ZINC000302236530 168366696 /nfs/dbraw/zinc/36/66/96/168366696.db2.gz VUMQVHWPUPOINM-UHFFFAOYSA-N 0 1 221.304 2.029 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ncc[nH]1)C(C)(C)C ZINC000286360787 538943989 /nfs/dbraw/zinc/94/39/89/538943989.db2.gz ZDPIKJFQYQGMHN-VHSXEESVSA-N 0 1 225.336 2.121 20 0 BEADMN CC[C@@H](COC)NCc1cc(C(C)C)no1 ZINC000167738138 538944395 /nfs/dbraw/zinc/94/43/95/538944395.db2.gz FPODJRNTSABUJQ-JTQLQIEISA-N 0 1 226.320 2.313 20 0 BEADMN Cc1nc([C@@H](C)NCC(C)(C)CO)c(C)s1 ZINC000168604558 538945839 /nfs/dbraw/zinc/94/58/39/538945839.db2.gz YNVIVWNGIVEPKZ-MRVPVSSYSA-N 0 1 242.388 2.429 20 0 BEADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000071396589 178337204 /nfs/dbraw/zinc/33/72/04/178337204.db2.gz RVSFOIIKUPWHAU-LLVKDONJSA-N 0 1 229.283 2.470 20 0 BEADMN Cc1cc(C)nc(NC(=O)CN(C)C2CCC2)c1 ZINC000629975766 361825128 /nfs/dbraw/zinc/82/51/28/361825128.db2.gz XDWKCHRXABEDNJ-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1nc(CSc2cccs2)n[nH]1 ZINC000291665602 398255412 /nfs/dbraw/zinc/25/54/12/398255412.db2.gz LUYJRVDEXWQLOL-UHFFFAOYSA-N 0 1 211.315 2.467 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000173370441 538948663 /nfs/dbraw/zinc/94/86/63/538948663.db2.gz IXAQWIQDLAFOMS-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccc(C)c(C)c2)nn1 ZINC000385791074 398262798 /nfs/dbraw/zinc/26/27/98/398262798.db2.gz ZDPJXQRUTVVERG-GFCCVEGCSA-N 0 1 244.342 2.224 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299896260 398263925 /nfs/dbraw/zinc/26/39/25/398263925.db2.gz MVEVCUDZCXTWAE-QJPTWQEYSA-N 0 1 225.332 2.218 20 0 BEADMN CCC(CC)N(CC)C(=O)c1ccn[nH]1 ZINC000289155086 168371068 /nfs/dbraw/zinc/37/10/68/168371068.db2.gz PLGUWQDYPYEWKI-UHFFFAOYSA-N 0 1 209.293 2.060 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000378749558 346824065 /nfs/dbraw/zinc/82/40/65/346824065.db2.gz TYKXWHCXUDCQNG-VGMNWLOBSA-N 0 1 227.258 2.089 20 0 BEADMN Cc1csc(CN2CC[C@H](CO)C[C@@H]2C)n1 ZINC000335130571 136233224 /nfs/dbraw/zinc/23/32/24/136233224.db2.gz HHMPDNMYNNZMNI-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@H](NCC(C)(F)F)C1CCOCC1 ZINC000378808404 346839431 /nfs/dbraw/zinc/83/94/31/346839431.db2.gz ZXXGRPDKGQBJMT-QMMMGPOBSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H](NCC(C)(F)F)C1CCOCC1 ZINC000378808379 346839663 /nfs/dbraw/zinc/83/96/63/346839663.db2.gz ZXXGRPDKGQBJMT-MRVPVSSYSA-N 0 1 207.264 2.046 20 0 BEADMN CCCCN(CC)Cc1cc2n(n1)CCC2 ZINC000649475422 398274609 /nfs/dbraw/zinc/27/46/09/398274609.db2.gz BBYHLRXCBIRVKG-UHFFFAOYSA-N 0 1 221.348 2.451 20 0 BEADMN CC(C)CCOCCNCc1ccncc1F ZINC000449106617 398276079 /nfs/dbraw/zinc/27/60/79/398276079.db2.gz MUNVZMTUBWTNDD-UHFFFAOYSA-N 0 1 240.322 2.373 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CN(C)CC(=O)OC ZINC000600113193 342671243 /nfs/dbraw/zinc/67/12/43/342671243.db2.gz VSFGWXWFJOWKGK-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN CCOCCN[C@H](C)c1nc(C)sc1C ZINC000036228359 538959266 /nfs/dbraw/zinc/95/92/66/538959266.db2.gz UOBAIQQGCCIRHE-MRVPVSSYSA-N 0 1 228.361 2.447 20 0 BEADMN CC[C@H](NC(=O)C1(N(C)C)CC1)[C@@H]1CC1(C)C ZINC000616339287 342717786 /nfs/dbraw/zinc/71/77/86/342717786.db2.gz FPEWTGQYNQTNEQ-QWRGUYRKSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000649479897 398277857 /nfs/dbraw/zinc/27/78/57/398277857.db2.gz OFQMBBMAUFUCSD-LBPRGKRZSA-N 0 1 233.359 2.451 20 0 BEADMN CSC1(CN2CC3(C2)CCCO3)CCC1 ZINC000600191343 342698074 /nfs/dbraw/zinc/69/80/74/342698074.db2.gz XUWJLGYNXADWTQ-UHFFFAOYSA-N 0 1 227.373 2.137 20 0 BEADMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccco1 ZINC000037161811 538961575 /nfs/dbraw/zinc/96/15/75/538961575.db2.gz HRZYPJMCGVWDIS-QWRGUYRKSA-N 0 1 238.331 2.091 20 0 BEADMN COC(=O)[C@@H]1CCCC[N@H+]1CCCC(C)C ZINC000166037425 361847252 /nfs/dbraw/zinc/84/72/52/361847252.db2.gz JLILWLBMUPUVBO-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CCCC(C)C ZINC000166037425 361847256 /nfs/dbraw/zinc/84/72/56/361847256.db2.gz JLILWLBMUPUVBO-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cc2n(n1)CCC2 ZINC000649480097 398277653 /nfs/dbraw/zinc/27/76/53/398277653.db2.gz SLGZAVWYLSEDSD-JTQLQIEISA-N 0 1 219.332 2.060 20 0 BEADMN CCC(CC)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000177279809 168383937 /nfs/dbraw/zinc/38/39/37/168383937.db2.gz LPBDOJIYXULGTK-JTQLQIEISA-N 0 1 235.331 2.134 20 0 BEADMN CCC(CC)NC(=O)c1ccc2cncn2c1 ZINC000284333373 168385574 /nfs/dbraw/zinc/38/55/74/168385574.db2.gz MWJNFWXFVTZKEK-UHFFFAOYSA-N 0 1 231.299 2.253 20 0 BEADMN C[C@@H](CNCc1ncc[nH]1)Oc1ccc(F)cc1 ZINC000083380709 398280629 /nfs/dbraw/zinc/28/06/29/398280629.db2.gz KGPQFKGSCMTDRX-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN COC(=O)c1oc(CN2[C@@H](C)C[C@@H]2C)cc1C ZINC000619285216 398286963 /nfs/dbraw/zinc/28/69/63/398286963.db2.gz CZRKVIMUKNGSDA-UWVGGRQHSA-N 0 1 237.299 2.357 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@H](C)O1 ZINC000607723831 342780270 /nfs/dbraw/zinc/78/02/70/342780270.db2.gz IDZDJXGYEBDQCM-BETUJISGSA-N 0 1 248.370 2.362 20 0 BEADMN CN(C)c1cccc(CN2CCOC(C)(C)C2)c1 ZINC000607724184 342780712 /nfs/dbraw/zinc/78/07/12/342780712.db2.gz VYFDUTHMFSAMGH-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN CC(C)C(C)(C)NC(=O)CN(C)C1CCC1 ZINC000630012024 361898517 /nfs/dbraw/zinc/89/85/17/361898517.db2.gz RAZITCCOZSIUPQ-UHFFFAOYSA-N 0 1 226.364 2.022 20 0 BEADMN CCc1noc(CN(C)C(C2CC2)C2CC2)n1 ZINC000065243281 342791387 /nfs/dbraw/zinc/79/13/87/342791387.db2.gz MJLDEENPURHSKZ-UHFFFAOYSA-N 0 1 235.331 2.252 20 0 BEADMN COc1ccc(CN2CCCCC2)nc1 ZINC000272117521 187335644 /nfs/dbraw/zinc/33/56/44/187335644.db2.gz OXXKDMZYISPRPP-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN C[C@H]1CC[C@H]2C(=O)N(Cc3ccccc3)N=C21 ZINC000634583813 342814468 /nfs/dbraw/zinc/81/44/68/342814468.db2.gz IXTJBLRNPUVVDQ-CMPLNLGQSA-N 0 1 228.295 2.431 20 0 BEADMN C[C@H]1CCc2c(=O)n(Cc3ccccc3)[nH]c21 ZINC000634583813 342814470 /nfs/dbraw/zinc/81/44/70/342814470.db2.gz IXTJBLRNPUVVDQ-CMPLNLGQSA-N 0 1 228.295 2.431 20 0 BEADMN Cc1nnc(CN2CCCC(C)(C)CC2)o1 ZINC000127021570 342814507 /nfs/dbraw/zinc/81/45/07/342814507.db2.gz YAZQVIODERJPRX-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H](C)[C@H]1C ZINC000335464060 398288660 /nfs/dbraw/zinc/28/86/60/398288660.db2.gz VFWTYPGISNJNEN-CHWSQXEVSA-N 0 1 234.343 2.042 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1(C2CCC2)CCC1 ZINC000518319834 398289202 /nfs/dbraw/zinc/28/92/02/398289202.db2.gz FVQTTYSVFDQWKY-UHFFFAOYSA-N 0 1 247.342 2.305 20 0 BEADMN CCc1[nH+]ccn1Cc1cccc(C(=O)[O-])c1 ZINC000041671762 538976215 /nfs/dbraw/zinc/97/62/15/538976215.db2.gz QFMAHEMHKIOWRB-UHFFFAOYSA-N 0 1 230.267 2.192 20 0 BEADMN O=C(CN1CCC[C@H]1c1ccccc1)NC1CC1 ZINC000010087460 342833483 /nfs/dbraw/zinc/83/34/83/342833483.db2.gz QHISOJXXSAUGIC-AWEZNQCLSA-N 0 1 244.338 2.102 20 0 BEADMN Cc1cc(CNCc2cccnc2)sn1 ZINC000380199184 538987330 /nfs/dbraw/zinc/98/73/30/538987330.db2.gz SHAGXQRVGHRUKW-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCCC2(F)F)CCO1 ZINC000380246012 538988192 /nfs/dbraw/zinc/98/81/92/538988192.db2.gz OFDMRYXRFMCTOM-KXUCPTDWSA-N 0 1 219.275 2.331 20 0 BEADMN CCc1ccc(C[N@@H+](C)CC2CC(O)C2)o1 ZINC000191162158 538991378 /nfs/dbraw/zinc/99/13/78/538991378.db2.gz QMKBVJCTMBKVMO-UHFFFAOYSA-N 0 1 223.316 2.045 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000071026375 361931185 /nfs/dbraw/zinc/93/11/85/361931185.db2.gz ADSKLGMIQJDVNP-MRVPVSSYSA-N 0 1 225.313 2.431 20 0 BEADMN CC[C@@H]1CCCCN1Cc1ncccn1 ZINC000191907399 538993243 /nfs/dbraw/zinc/99/32/43/538993243.db2.gz OZAWEKOKTFTNNW-LLVKDONJSA-N 0 1 205.305 2.241 20 0 BEADMN C[C@H](CCC(F)(F)F)NCc1cocn1 ZINC000379968855 538982816 /nfs/dbraw/zinc/98/28/16/538982816.db2.gz HWFSJAKQJNECJG-SSDOTTSWSA-N 0 1 222.210 2.495 20 0 BEADMN C[C@@H](NC(C)(C)C(F)F)C1CCOCC1 ZINC000380064157 538984014 /nfs/dbraw/zinc/98/40/14/538984014.db2.gz BPZOKNMLBPUEAV-MRVPVSSYSA-N 0 1 221.291 2.435 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc2c(s1)CCC2 ZINC000381476914 539001658 /nfs/dbraw/zinc/00/16/58/539001658.db2.gz RFGBNGHTJOYFMH-IUCAKERBSA-N 0 1 240.372 2.145 20 0 BEADMN C[C@H]1CCCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649498823 398294143 /nfs/dbraw/zinc/29/41/43/398294143.db2.gz ZEYOIGBMMGNZDX-LBPRGKRZSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C[C@H](C)C1 ZINC000193664403 539007776 /nfs/dbraw/zinc/00/77/76/539007776.db2.gz AWCROZICEUCHHA-NWDGAFQWSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C[C@@H](C)C1 ZINC000193664415 539007785 /nfs/dbraw/zinc/00/77/85/539007785.db2.gz AWCROZICEUCHHA-NEPJUHHUSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000195515359 539010497 /nfs/dbraw/zinc/01/04/97/539010497.db2.gz MHHFJJBVMOELLQ-NSHDSACASA-N 0 1 207.321 2.042 20 0 BEADMN C[C@H]1CCCN(Cc2nccn2C)CC1 ZINC000195515359 539010498 /nfs/dbraw/zinc/01/04/98/539010498.db2.gz MHHFJJBVMOELLQ-NSHDSACASA-N 0 1 207.321 2.042 20 0 BEADMN C/C=C\CN[C@@H](c1nccn1C)C1CC1 ZINC000624198389 342835462 /nfs/dbraw/zinc/83/54/62/342835462.db2.gz NSNVYEUUYDXYOA-DLRQAJBASA-N 0 1 205.305 2.037 20 0 BEADMN CCOc1ccccc1CCNCc1cocn1 ZINC000192308556 538994602 /nfs/dbraw/zinc/99/46/02/538994602.db2.gz ZAJFUEXOOSXCLE-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN CC[C@]1(C)CCN(CN2CC(C)(C)OC2=O)C1 ZINC000494058691 529400223 /nfs/dbraw/zinc/40/02/23/529400223.db2.gz LICJGPDCNNXNEP-CYBMUJFWSA-N 0 1 240.347 2.297 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000381108262 538995343 /nfs/dbraw/zinc/99/53/43/538995343.db2.gz ZGUXNPKIZBXOMA-ONGXEEELSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC000192865244 538998977 /nfs/dbraw/zinc/99/89/77/538998977.db2.gz YUMDTPXVKQSMRP-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN Cc1ccc2c(c1C)OC[C@H]2NC1CSC1 ZINC000381385275 538999671 /nfs/dbraw/zinc/99/96/71/538999671.db2.gz MMGMWLUUIKWOLZ-GFCCVEGCSA-N 0 1 235.352 2.442 20 0 BEADMN Cc1ncc(CN[C@H](C)c2c[nH]nc2C)s1 ZINC000390422158 539021511 /nfs/dbraw/zinc/02/15/11/539021511.db2.gz KKKZBSGGFCZMCM-SSDOTTSWSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CS[C@H](C)C2)s1 ZINC000391838002 398296646 /nfs/dbraw/zinc/29/66/46/398296646.db2.gz UETAIDXGPXBIBA-FJXKBIBVSA-N 0 1 243.401 2.391 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000042381104 361988739 /nfs/dbraw/zinc/98/87/39/361988739.db2.gz DQUUSUPQKZMAOU-JQWIXIFHSA-N 0 1 233.315 2.205 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](CO)CC2CC2)cs1 ZINC000390609326 539026738 /nfs/dbraw/zinc/02/67/38/539026738.db2.gz DPPVRKFEIYSAHP-GZMMTYOYSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(C)CCC2)[C@H](C(=O)[O-])C1 ZINC000309733912 342839632 /nfs/dbraw/zinc/83/96/32/342839632.db2.gz FYCIQRZXACJJIF-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)CCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000061822253 539015749 /nfs/dbraw/zinc/01/57/49/539015749.db2.gz LWZBALMWTQCSRI-UHFFFAOYSA-N 0 1 234.299 2.406 20 0 BEADMN FC1(F)CCC[C@H]1N[C@@H]1CCCOCC1 ZINC000389912277 539018340 /nfs/dbraw/zinc/01/83/40/539018340.db2.gz JUECHYOVJBAZJI-NXEZZACHSA-N 0 1 219.275 2.333 20 0 BEADMN CC=CCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000624199037 342841407 /nfs/dbraw/zinc/84/14/07/342841407.db2.gz DXPXVKCEWZTYCE-VMZHVLLKSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000335644729 136243485 /nfs/dbraw/zinc/24/34/85/136243485.db2.gz UPGHMTYLBHTYBK-WCQYABFASA-N 0 1 221.348 2.431 20 0 BEADMN C[N@@H+](CCOC1CCOCC1)Cc1ccccc1 ZINC000625061790 342847595 /nfs/dbraw/zinc/84/75/95/342847595.db2.gz XEZZRVSGELCNAM-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN C[N@H+]1CC[C@@H](CNc2nc(Cl)cs2)C1 ZINC000164985839 342863127 /nfs/dbraw/zinc/86/31/27/342863127.db2.gz URDOLRJJRABADM-ZETCQYMHSA-N 0 1 231.752 2.160 20 0 BEADMN CCOC(=O)CN(C(CC)CC)C1CC1 ZINC000112154039 398303975 /nfs/dbraw/zinc/30/39/75/398303975.db2.gz GHWMQDNTEDTNOM-UHFFFAOYSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625103967 342857705 /nfs/dbraw/zinc/85/77/05/342857705.db2.gz NNMBNFIDXPAQQP-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCC(C)(C)CC1 ZINC000625130403 342882029 /nfs/dbraw/zinc/88/20/29/342882029.db2.gz FHFBIWNASXCUBI-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC(C)(C)CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000035298611 342887066 /nfs/dbraw/zinc/88/70/66/342887066.db2.gz YOKKBDMABHTWBE-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCN1CCN(CC2CCCCCC2)CC1=O ZINC000351601379 136247424 /nfs/dbraw/zinc/24/74/24/136247424.db2.gz FILJAUKNJQFYCC-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)c1cccn1C ZINC000037337094 342927202 /nfs/dbraw/zinc/92/72/02/342927202.db2.gz JPYNZYSBEHCFOT-LLVKDONJSA-N 0 1 222.332 2.186 20 0 BEADMN CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000045770806 342918817 /nfs/dbraw/zinc/91/88/17/342918817.db2.gz TWPAPJQSLGCMBI-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000045770806 342918818 /nfs/dbraw/zinc/91/88/18/342918818.db2.gz TWPAPJQSLGCMBI-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1 ZINC000037374393 342928657 /nfs/dbraw/zinc/92/86/57/342928657.db2.gz LENNDNWXNQTTLA-LBPRGKRZSA-N 0 1 221.300 2.290 20 0 BEADMN CCCCn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634585580 342928728 /nfs/dbraw/zinc/92/87/28/342928728.db2.gz KPSQXRYDGPZARL-UWVGGRQHSA-N 0 1 208.305 2.421 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000037374523 342928836 /nfs/dbraw/zinc/92/88/36/342928836.db2.gz IRSDJIWSCRDIKP-VIFPVBQESA-N 0 1 213.302 2.043 20 0 BEADMN CCCCn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634585579 342928852 /nfs/dbraw/zinc/92/88/52/342928852.db2.gz KPSQXRYDGPZARL-NXEZZACHSA-N 0 1 208.305 2.421 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)c1 ZINC000634585886 342928994 /nfs/dbraw/zinc/92/89/94/342928994.db2.gz UVLKFVILQOBKHO-JOYOIKCWSA-N 0 1 244.294 2.444 20 0 BEADMN C[C@H]1CCc2c(=O)n(CC(C)(C)C)[nH]c21 ZINC000634588370 342933899 /nfs/dbraw/zinc/93/38/99/342933899.db2.gz QHPFDPPMNBLFIG-DTWKUNHWSA-N 0 1 208.305 2.277 20 0 BEADMN CCC[C@H](CN(CC(=O)OC)[C@@H](C)CC)OC ZINC000602647474 349658320 /nfs/dbraw/zinc/65/83/20/349658320.db2.gz KOSZYDYTVWWPRW-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CCCOC2)cs1 ZINC000120757443 398337286 /nfs/dbraw/zinc/33/72/86/398337286.db2.gz KZQLYZLHEGVBRA-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C)cc1 ZINC000037991337 398335439 /nfs/dbraw/zinc/33/54/39/398335439.db2.gz KFGRGDMQMXEHCP-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccncc3)C(=O)[C@H]2C1 ZINC000634592055 342944271 /nfs/dbraw/zinc/94/42/71/342944271.db2.gz WJUWHRMANAGITA-KOLCDFICSA-N 0 1 229.283 2.220 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3)c(=O)c2C1 ZINC000634592055 342944272 /nfs/dbraw/zinc/94/42/72/342944272.db2.gz WJUWHRMANAGITA-KOLCDFICSA-N 0 1 229.283 2.220 20 0 BEADMN CC(C)(C)n1cc(CN2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000191369145 398344740 /nfs/dbraw/zinc/34/47/40/398344740.db2.gz OZVIXSTVAHLZAI-RYUDHWBXSA-N 0 1 248.374 2.265 20 0 BEADMN CCC1=NN(CCc2ccccc2)C(=O)[C@H]1C ZINC000634593031 342948983 /nfs/dbraw/zinc/94/89/83/342948983.db2.gz CRWISNROCNSELH-NSHDSACASA-N 0 1 230.311 2.473 20 0 BEADMN CCc1[nH]n(CCc2ccccc2)c(=O)c1C ZINC000634593031 342948984 /nfs/dbraw/zinc/94/89/84/342948984.db2.gz CRWISNROCNSELH-NSHDSACASA-N 0 1 230.311 2.473 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)CC[C@H]3C)cc1 ZINC000634593578 342951284 /nfs/dbraw/zinc/95/12/84/342951284.db2.gz SVKSSCDGLNFVBE-SKDRFNHKSA-N 0 1 244.294 2.444 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634593755 342951446 /nfs/dbraw/zinc/95/14/46/342951446.db2.gz YVLRXVNZBJUTRM-RNCFNFMXSA-N 0 1 244.294 2.444 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nc(C2CC2)nn1C ZINC000516924367 259333896 /nfs/dbraw/zinc/33/38/96/259333896.db2.gz KZBJIFHIXXXXBX-CMPLNLGQSA-N 0 1 248.374 2.313 20 0 BEADMN COc1cccc(C2=NN(C(C)C)C(=O)[C@@H]2C)c1 ZINC000634594634 342956208 /nfs/dbraw/zinc/95/62/08/342956208.db2.gz BQRQMGOUPIDCCU-SNVBAGLBSA-N 0 1 246.310 2.286 20 0 BEADMN CC[C@@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000075765494 344017034 /nfs/dbraw/zinc/01/70/34/344017034.db2.gz GHQDZOLUBMDSFG-LLVKDONJSA-N 0 1 239.746 2.469 20 0 BEADMN Cc1ccc(N2N=C3CCCC[C@@H]3C2=O)nc1 ZINC000634597874 342973865 /nfs/dbraw/zinc/97/38/65/342973865.db2.gz XLDBWRXUQOLNPM-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN CCC1=NN(Cc2ccc(OC)cc2)C(=O)[C@H]1C ZINC000634597593 342974248 /nfs/dbraw/zinc/97/42/48/342974248.db2.gz ODUSNTMIJKUIOK-JTQLQIEISA-N 0 1 246.310 2.440 20 0 BEADMN CCc1[nH]n(Cc2ccc(OC)cc2)c(=O)c1C ZINC000634597593 342974250 /nfs/dbraw/zinc/97/42/50/342974250.db2.gz ODUSNTMIJKUIOK-JTQLQIEISA-N 0 1 246.310 2.440 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)n[nH]1 ZINC001638398905 1172020145 /nfs/dbraw/zinc/02/01/45/1172020145.db2.gz YPGXQMWUUKFBKE-MVWJERBFSA-N 0 1 249.358 2.154 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC001638398904 1172020567 /nfs/dbraw/zinc/02/05/67/1172020567.db2.gz YPGXQMWUUKFBKE-DLOVCJGASA-N 0 1 249.358 2.154 20 0 BEADMN Fc1cccc(F)c1CNC[C@H]1CCCO1 ZINC000019963406 342965304 /nfs/dbraw/zinc/96/53/04/342965304.db2.gz HLBXXEITEKXPOV-SECBINFHSA-N 0 1 227.254 2.233 20 0 BEADMN CSCCC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000235052874 342977251 /nfs/dbraw/zinc/97/72/51/342977251.db2.gz MNLAYJSZTCPRHS-LBPRGKRZSA-N 0 1 245.388 2.172 20 0 BEADMN CCN(C#N)CCN(C)Cc1cccc(C)c1 ZINC000602767714 349722452 /nfs/dbraw/zinc/72/24/52/349722452.db2.gz IQLVQLOSNIDXFA-UHFFFAOYSA-N 0 1 231.343 2.230 20 0 BEADMN CSC1CCN(Cc2cnc(C)n2C)CC1 ZINC000602724743 349714297 /nfs/dbraw/zinc/71/42/97/349714297.db2.gz AIOKSTVWMFIUNU-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN CSC1CCN(Cc2cnc(C)nc2)CC1 ZINC000602727036 349715815 /nfs/dbraw/zinc/71/58/15/349715815.db2.gz WUAYIXSQQWQIKD-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CC(C)Cn1cc(CNCc2ccn(C)c2)cn1 ZINC000272930650 187336673 /nfs/dbraw/zinc/33/66/73/187336673.db2.gz SOFYTJFJUQIRQE-UHFFFAOYSA-N 0 1 246.358 2.167 20 0 BEADMN CCCCC1=NN(C2CCOCC2)C(=O)[C@@H]1C ZINC000634602120 342997253 /nfs/dbraw/zinc/99/72/53/342997253.db2.gz HNBWBQOJBCAZDJ-SNVBAGLBSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C2CCOCC2)c(=O)c1C ZINC000634602120 342997254 /nfs/dbraw/zinc/99/72/54/342997254.db2.gz HNBWBQOJBCAZDJ-SNVBAGLBSA-N 0 1 238.331 2.190 20 0 BEADMN Cc1cnc(CCN[C@@H](C)c2nccs2)nc1 ZINC000358365029 187216021 /nfs/dbraw/zinc/21/60/21/187216021.db2.gz HLOLLXUCORVRRP-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN C[C@H]1CCC2=NN(c3ncccc3F)C(=O)[C@@H]2C1 ZINC000634605203 342999260 /nfs/dbraw/zinc/99/92/60/342999260.db2.gz DHGKAJUTAGUOLW-DTWKUNHWSA-N 0 1 247.273 2.360 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634605903 343001260 /nfs/dbraw/zinc/00/12/60/343001260.db2.gz BCMMKJKFRXADFQ-PSASIEDQSA-N 0 1 229.283 2.139 20 0 BEADMN CCc1[nH]n(-c2ccncc2C)c(=O)c1C ZINC000634606285 343001541 /nfs/dbraw/zinc/00/15/41/343001541.db2.gz NAJYFVVZKDUBPS-SECBINFHSA-N 0 1 217.272 2.139 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352004726 534931700 /nfs/dbraw/zinc/93/17/00/534931700.db2.gz POAKNOMBVIQKOY-UPJWGTAASA-N 0 1 240.391 2.220 20 0 BEADMN CCCC1=NN(c2cccnn2)C(=O)[C@@H]1CC ZINC000634607416 343004842 /nfs/dbraw/zinc/00/48/42/343004842.db2.gz WWOQNSYNTHLBRU-SECBINFHSA-N 0 1 232.287 2.006 20 0 BEADMN CC[C@@H]1CN(Cc2ccnc(C)n2)CCS1 ZINC000335901608 136259776 /nfs/dbraw/zinc/25/97/76/136259776.db2.gz RYAYHSJOUJPIOB-GFCCVEGCSA-N 0 1 237.372 2.112 20 0 BEADMN O=c1c2c([nH]n1CCc1ccccc1F)CCC2 ZINC000634612214 343008998 /nfs/dbraw/zinc/00/89/98/343008998.db2.gz RRFFEAJGDSHBDM-NSHDSACASA-N 0 1 246.285 2.367 20 0 BEADMN CCN(C#N)CCN1CCc2cccc(C)c2C1 ZINC000602818505 349759893 /nfs/dbraw/zinc/75/98/93/349759893.db2.gz FCPQCBOLPUAQNY-UHFFFAOYSA-N 0 1 243.354 2.156 20 0 BEADMN CC(C)[C@H]1CCc2[nH]n(C3CC3)c(=O)c2C1 ZINC000634618651 343016588 /nfs/dbraw/zinc/01/65/88/343016588.db2.gz ZHSMALZAJWGXGG-GXSJLCMTSA-N 0 1 220.316 2.419 20 0 BEADMN CC(C)[C@@H]1CCc2[nH]n(C3CC3)c(=O)c2C1 ZINC000634618653 343016679 /nfs/dbraw/zinc/01/66/79/343016679.db2.gz ZHSMALZAJWGXGG-MWLCHTKSSA-N 0 1 220.316 2.419 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)[C@H](C)CC3)ccn1 ZINC000634619148 343017932 /nfs/dbraw/zinc/01/79/32/343017932.db2.gz QFXSAROSHYYNKI-PELKAZGASA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(N2N=C3CCCC[C@H]3C2=O)ccn1 ZINC000634619105 343018155 /nfs/dbraw/zinc/01/81/55/343018155.db2.gz OQGXLBNZYURXAR-LLVKDONJSA-N 0 1 229.283 2.283 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CCCC3)ccn1 ZINC000634619105 343018157 /nfs/dbraw/zinc/01/81/57/343018157.db2.gz OQGXLBNZYURXAR-LLVKDONJSA-N 0 1 229.283 2.283 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccc3n[nH]cc3c2)[nH]1 ZINC000634620840 343019748 /nfs/dbraw/zinc/01/97/48/343019748.db2.gz RDXUCGIDIVFOKR-UHFFFAOYSA-N 0 1 242.282 2.312 20 0 BEADMN COCCc1cc(=O)n(CCC(C)(C)C)[nH]1 ZINC000634621039 343020137 /nfs/dbraw/zinc/02/01/37/343020137.db2.gz XNICINCCCARZLP-UHFFFAOYSA-N 0 1 226.320 2.047 20 0 BEADMN CCC(CC)Cn1[nH]c2c(c1=O)CSCC2 ZINC000634621322 343021677 /nfs/dbraw/zinc/02/16/77/343021677.db2.gz FMFZTFXUZUFDDB-JTQLQIEISA-N 0 1 240.372 2.374 20 0 BEADMN Cn1cc(N2N=C3CCCCCC[C@H]3C2=O)cn1 ZINC000634623830 343024569 /nfs/dbraw/zinc/02/45/69/343024569.db2.gz POTCLQANWVFIHC-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN Cn1cc(-n2[nH]c3c(c2=O)CCCCCC3)cn1 ZINC000634623830 343024571 /nfs/dbraw/zinc/02/45/71/343024571.db2.gz POTCLQANWVFIHC-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN C[C@@H]1CCc2[nH]n(C34CC(C3)C4)c(=O)c2C1 ZINC000634625016 343026597 /nfs/dbraw/zinc/02/65/97/343026597.db2.gz WNGRMIOPBAEMJF-SUIRZZFNSA-N 0 1 218.300 2.173 20 0 BEADMN CCN(C#N)CCNC(C)(C)c1ccc(C)nc1 ZINC000602810997 349754517 /nfs/dbraw/zinc/75/45/17/349754517.db2.gz VIEMBLQLXLDSQZ-UHFFFAOYSA-N 0 1 246.358 2.018 20 0 BEADMN Cc1[nH]n(-c2ccc(C)c(F)c2)c(=O)c1C ZINC000634615163 343011306 /nfs/dbraw/zinc/01/13/06/343011306.db2.gz ZHPIAMVVFUZXJU-MRVPVSSYSA-N 0 1 220.247 2.493 20 0 BEADMN CC1(c2cc(=O)n(CCc3ccccn3)[nH]2)CC1 ZINC000634614470 343012325 /nfs/dbraw/zinc/01/23/25/343012325.db2.gz DCQIEBNZXYXFFA-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN Cc1[nH]n(-c2cc(F)ccc2C)c(=O)c1C ZINC000634615600 343013662 /nfs/dbraw/zinc/01/36/62/343013662.db2.gz LVFCJSQZLHGVSD-MRVPVSSYSA-N 0 1 220.247 2.493 20 0 BEADMN C[C@@H](N1N=C2[C@H](C)CC[C@H]2C1=O)C(F)(F)F ZINC000634631007 343041511 /nfs/dbraw/zinc/04/15/11/343041511.db2.gz JISQSMQPWPZWQI-FSDSQADBSA-N 0 1 234.221 2.182 20 0 BEADMN CCN(Cc1cncn1C)Cc1ccccc1 ZINC000176981750 346920085 /nfs/dbraw/zinc/92/00/85/346920085.db2.gz OBCIZMBJURWOCK-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN CCc1nc(CN2CC[C@@H](C)C(C)(C)C2)n[nH]1 ZINC000354931135 349776798 /nfs/dbraw/zinc/77/67/98/349776798.db2.gz NGVMHBNHWSPOHS-SNVBAGLBSA-N 0 1 236.363 2.235 20 0 BEADMN Cc1[nH]n([C@@H]2CCCC2(C)C)c(=O)c1C ZINC000634625787 343030189 /nfs/dbraw/zinc/03/01/89/343030189.db2.gz NQQVWVGIHAZWAD-WCBMZHEXSA-N 0 1 208.305 2.419 20 0 BEADMN Cc1[nH]n([C@H]2CCCC2(C)C)c(=O)c1C ZINC000634625788 343030248 /nfs/dbraw/zinc/03/02/48/343030248.db2.gz NQQVWVGIHAZWAD-WPRPVWTQSA-N 0 1 208.305 2.419 20 0 BEADMN O=C1[C@H]2CCCCCCC2=NN1c1cncnc1 ZINC000634627502 343033130 /nfs/dbraw/zinc/03/31/30/343033130.db2.gz DWDZSFWUDAZINP-NSHDSACASA-N 0 1 244.298 2.150 20 0 BEADMN O=c1c2c([nH]n1-c1cncnc1)CCCCCC2 ZINC000634627502 343033131 /nfs/dbraw/zinc/03/31/31/343033131.db2.gz DWDZSFWUDAZINP-NSHDSACASA-N 0 1 244.298 2.150 20 0 BEADMN O=C1CC(c2ccccc2)=NN1[C@H]1CCSC1 ZINC000634627530 343033532 /nfs/dbraw/zinc/03/35/32/343033532.db2.gz FIPIIAZDUQNVAL-NSHDSACASA-N 0 1 246.335 2.129 20 0 BEADMN C[C@H](NCCC(N)=O)c1c(F)cccc1Cl ZINC000309323983 259342871 /nfs/dbraw/zinc/34/28/71/259342871.db2.gz QIZNUDPPBZTOLZ-ZETCQYMHSA-N 0 1 244.697 2.005 20 0 BEADMN CC(C)C[C@H]1COCCN1CCOCC1CC1 ZINC000120062799 187222634 /nfs/dbraw/zinc/22/26/34/187222634.db2.gz AFXKTKGNUSIDMY-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN CC(C)c1cc(=O)n([C@@H](C)c2ccncc2)[nH]1 ZINC000634627069 343037063 /nfs/dbraw/zinc/03/70/63/343037063.db2.gz USRJRRVPALBXGR-JTQLQIEISA-N 0 1 231.299 2.387 20 0 BEADMN COCCc1cc(=O)n([C@H](C)C(C)(C)C)[nH]1 ZINC000634630271 343038735 /nfs/dbraw/zinc/03/87/35/343038735.db2.gz QZKOAMZJWPNQTE-SECBINFHSA-N 0 1 226.320 2.046 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccncc2F)c1=O ZINC000634634449 343047018 /nfs/dbraw/zinc/04/70/18/343047018.db2.gz YJSPJOWMLMMEJD-SECBINFHSA-N 0 1 235.262 2.360 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccncc2F)c1=O ZINC000634634450 343047172 /nfs/dbraw/zinc/04/71/72/343047172.db2.gz YJSPJOWMLMMEJD-VIFPVBQESA-N 0 1 235.262 2.360 20 0 BEADMN CC[N@@H+](C/C=C/c1ccccc1)CC(=O)[O-] ZINC000038017739 343049553 /nfs/dbraw/zinc/04/95/53/343049553.db2.gz UOIWJNMJWSVAAY-RMKNXTFCSA-N 0 1 219.284 2.106 20 0 BEADMN CCC(C)(C)OC1CN(CC2(O)CCCC2)C1 ZINC000634650490 343061092 /nfs/dbraw/zinc/06/10/92/343061092.db2.gz MRTKMDUPTFUERR-UHFFFAOYSA-N 0 1 241.375 2.181 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000228030712 187229373 /nfs/dbraw/zinc/22/93/73/187229373.db2.gz ZSBIDFPEJNPIOH-CHWSQXEVSA-N 0 1 246.354 2.472 20 0 BEADMN Cc1csc(CNCCc2cc(C)no2)n1 ZINC000309858463 343066758 /nfs/dbraw/zinc/06/67/58/343066758.db2.gz LNXOPBABFPTOKE-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H](N)c1ccccc1 ZINC000037265163 187229688 /nfs/dbraw/zinc/22/96/88/187229688.db2.gz GKQCIADRAHXMJH-WCQYABFASA-N 0 1 234.343 2.237 20 0 BEADMN CC(C)C(C)(C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000590284349 346924701 /nfs/dbraw/zinc/92/47/01/346924701.db2.gz HKMGYQSNUCOJPT-UHFFFAOYSA-N 0 1 249.358 2.453 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ncc(C)o2)CC1 ZINC000335372619 536835519 /nfs/dbraw/zinc/83/55/19/536835519.db2.gz HMCQTKBMODYASC-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H](C)O ZINC000386736846 343107027 /nfs/dbraw/zinc/10/70/27/343107027.db2.gz CLFQOHXOBRIHKI-WCBMZHEXSA-N 0 1 243.734 2.295 20 0 BEADMN CC(C)Cn1ncnc1CNC1(C(C)C)CC1 ZINC000339518812 187232220 /nfs/dbraw/zinc/23/22/20/187232220.db2.gz PPPLLXSSASAQAT-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN CC[C@@H](C)n1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000640939357 362077587 /nfs/dbraw/zinc/07/75/87/362077587.db2.gz SJFLGNDRGMBQCI-NOZJJQNGSA-N 0 1 248.305 2.436 20 0 BEADMN CSCC[C@H](C)N(C)Cc1snnc1C ZINC000569658289 323035742 /nfs/dbraw/zinc/03/57/42/323035742.db2.gz QJMSDAYNIJNLQJ-QMMMGPOBSA-N 0 1 245.417 2.420 20 0 BEADMN CC(C)c1ncc(CN2CCC[C@H](O)C2)s1 ZINC000127979972 187232912 /nfs/dbraw/zinc/23/29/12/187232912.db2.gz XLFDTFOQWARYCR-JTQLQIEISA-N 0 1 240.372 2.223 20 0 BEADMN Clc1cccnc1CN1CCc2cn[nH]c2C1 ZINC000625264687 343146457 /nfs/dbraw/zinc/14/64/57/343146457.db2.gz SOCADINHPANPDK-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN COC1(CNCc2cocn2)CCCCC1 ZINC000276972790 187239451 /nfs/dbraw/zinc/23/94/51/187239451.db2.gz PZGLOJIKWUXXPZ-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN Cc1csc(CN[C@@H](CO)CC2CCC2)n1 ZINC000279809702 187240708 /nfs/dbraw/zinc/24/07/08/187240708.db2.gz OHMNCXPHKJYNGW-LLVKDONJSA-N 0 1 240.372 2.092 20 0 BEADMN CCSCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000129846142 343184725 /nfs/dbraw/zinc/18/47/25/343184725.db2.gz FAAQRXRSZBNDBD-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1nnc(C)n1C ZINC000150737175 136273324 /nfs/dbraw/zinc/27/33/24/136273324.db2.gz DXQFKICYSGRJGU-GFCCVEGCSA-N 0 1 236.363 2.278 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@H]2CCC2(C)C)n1 ZINC000576955072 365730652 /nfs/dbraw/zinc/73/06/52/365730652.db2.gz WOQZBWCIOZNZJR-ZJUUUORDSA-N 0 1 235.331 2.330 20 0 BEADMN CC(C)CC1(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC000150751563 136273537 /nfs/dbraw/zinc/27/35/37/136273537.db2.gz YLZPUZYGQVHAOM-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CCC1 ZINC000094762698 343157139 /nfs/dbraw/zinc/15/71/39/343157139.db2.gz AVQDNVVWTMGFBX-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CC(C)[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CC1 ZINC000094762539 343157309 /nfs/dbraw/zinc/15/73/09/343157309.db2.gz LFWKKIQWPDFUSI-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000123858353 343166704 /nfs/dbraw/zinc/16/67/04/343166704.db2.gz UEGZJJIMFOSEGK-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000129318466 343176563 /nfs/dbraw/zinc/17/65/63/343176563.db2.gz CYNPPSLGCWAYBW-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000158010790 343200439 /nfs/dbraw/zinc/20/04/39/343200439.db2.gz YBNMSTJXFWXJLK-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1nc2c(n1C[C@H]1CCCO1)CCCC2 ZINC000160729524 343203565 /nfs/dbraw/zinc/20/35/65/343203565.db2.gz HTPXXYVDXQICIN-LLVKDONJSA-N 0 1 220.316 2.249 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000162069032 343205249 /nfs/dbraw/zinc/20/52/49/343205249.db2.gz ZOJVDIQQWDQPFS-LLVKDONJSA-N 0 1 225.288 2.355 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000167798073 343209379 /nfs/dbraw/zinc/20/93/79/343209379.db2.gz XVYDKWKTPRSTKM-GHMZBOCLSA-N 0 1 209.289 2.034 20 0 BEADMN CC(F)(F)CN[C@H]1CCOC(C)(C)C1 ZINC000634683878 343217743 /nfs/dbraw/zinc/21/77/43/343217743.db2.gz BOZYOKXUYDVXQV-QMMMGPOBSA-N 0 1 207.264 2.189 20 0 BEADMN CCO[C@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000569722710 323038794 /nfs/dbraw/zinc/03/87/94/323038794.db2.gz CTXUYXGWAFPCTC-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN CC(C)C[C@H]1CCN(C(=O)c2cnccc2N)C1 ZINC000187747005 187250442 /nfs/dbraw/zinc/25/04/42/187250442.db2.gz LSHCDNSRPSUFMR-LLVKDONJSA-N 0 1 247.342 2.172 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330404 343256208 /nfs/dbraw/zinc/25/62/08/343256208.db2.gz XAPSSVHCTZSQOK-SECBINFHSA-N 0 1 225.288 2.454 20 0 BEADMN C[N@H+](Cc1ccco1)Cc1cc(C(=O)[O-])co1 ZINC000051330378 343256240 /nfs/dbraw/zinc/25/62/40/343256240.db2.gz KPLPCMSRQSYAOU-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@@H+](Cc1ccco1)Cc1cc(C(=O)[O-])co1 ZINC000051330378 343256243 /nfs/dbraw/zinc/25/62/43/343256243.db2.gz KPLPCMSRQSYAOU-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN CC[C@@H](C)NC(=O)CN(C)CCc1ccccc1 ZINC000051998366 343281912 /nfs/dbraw/zinc/28/19/12/343281912.db2.gz LSOSOBGYYMGWCI-CYBMUJFWSA-N 0 1 248.370 2.076 20 0 BEADMN CCN(Cc1cnc(C(C)C)s1)C[C@@H](C)O ZINC000348717561 136294176 /nfs/dbraw/zinc/29/41/76/136294176.db2.gz UQNPGQSXRHVFTG-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN COc1ccsc1CN(C)[C@@H]1CCCOC1 ZINC000348714249 136294365 /nfs/dbraw/zinc/29/43/65/136294365.db2.gz MXHJYEOKMKRWFK-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN COC(=O)c1ccoc1CN1CCC[C@@H]1C1CC1 ZINC000609133549 343314832 /nfs/dbraw/zinc/31/48/32/343314832.db2.gz HMAXWFGNRQIHJQ-GFCCVEGCSA-N 0 1 249.310 2.441 20 0 BEADMN CCN(CC(=O)NCCCC1CCC1)C1CC1 ZINC000618617218 343378753 /nfs/dbraw/zinc/37/87/53/343378753.db2.gz GEUMWLNWOGUKCJ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](C)C2)c1 ZINC000634691193 343378873 /nfs/dbraw/zinc/37/88/73/343378873.db2.gz BTTLSJLFBMGAGO-MFKMUULPSA-N 0 1 249.310 2.163 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1nc(C)cs1 ZINC000038091129 343371039 /nfs/dbraw/zinc/37/10/39/343371039.db2.gz CNOCELRIBDTLBR-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN CCc1ccc(CN(C)C[C@@H](C)OC)o1 ZINC000348833543 136303311 /nfs/dbraw/zinc/30/33/11/136303311.db2.gz NEQFPOUHCYRQPT-SNVBAGLBSA-N 0 1 211.305 2.309 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000348832951 136303360 /nfs/dbraw/zinc/30/33/60/136303360.db2.gz KSMSIFRRNYPMDJ-QMMMGPOBSA-N 0 1 217.696 2.400 20 0 BEADMN CO[C@@H](C)CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000348832648 136303658 /nfs/dbraw/zinc/30/36/58/136303658.db2.gz KBVLMLWIPWFIHE-JTQLQIEISA-N 0 1 239.363 2.174 20 0 BEADMN CCc1cnc(CNCCSC)s1 ZINC000379387126 343348237 /nfs/dbraw/zinc/34/82/37/343348237.db2.gz GRQAXIVLLWVISM-UHFFFAOYSA-N 0 1 216.375 2.158 20 0 BEADMN COCc1ccccc1CNCc1c[nH]nc1C ZINC000037762798 343354022 /nfs/dbraw/zinc/35/40/22/343354022.db2.gz UYHGPDAFRCFUAH-UHFFFAOYSA-N 0 1 245.326 2.154 20 0 BEADMN CSCC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602874961 349806262 /nfs/dbraw/zinc/80/62/62/349806262.db2.gz WNZFTFDHGGPJEF-NSHDSACASA-N 0 1 230.421 2.012 20 0 BEADMN CCNC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000348953134 136310451 /nfs/dbraw/zinc/31/04/51/136310451.db2.gz XRECPDYAQJTPQX-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1c(F)cc(F)cc1F ZINC000335666140 136310745 /nfs/dbraw/zinc/31/07/45/136310745.db2.gz YYHYMGPYJADOJJ-JMCQJSRRSA-N 0 1 245.244 2.371 20 0 BEADMN C[C@@H]1OCC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000335666143 136310824 /nfs/dbraw/zinc/31/08/24/136310824.db2.gz YYHYMGPYJADOJJ-MADCSZMMSA-N 0 1 245.244 2.371 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000335667191 136311658 /nfs/dbraw/zinc/31/16/58/136311658.db2.gz HBKSOSUCMDHJAY-PHIMTYICSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1ncc(C(=O)N(C)C[C@H]2CC=CCC2)[nH]1 ZINC000335660668 136314626 /nfs/dbraw/zinc/31/46/26/136314626.db2.gz ZKVCTWJYODVVPK-NSHDSACASA-N 0 1 233.315 2.146 20 0 BEADMN Cn1cc(Cl)c(CNC2CC(C)(C)C2)n1 ZINC000335663507 136316180 /nfs/dbraw/zinc/31/61/80/136316180.db2.gz MDEVAYWBDHPQID-UHFFFAOYSA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)[C@H](c1ccccc1)N(C)C(=O)CN(C)C ZINC000275089337 187338109 /nfs/dbraw/zinc/33/81/09/187338109.db2.gz GMRWSPKLPCQBJX-OAHLLOKOSA-N 0 1 248.370 2.404 20 0 BEADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000335697103 136327414 /nfs/dbraw/zinc/32/74/14/136327414.db2.gz UGXJDAMAGINHHC-JTQLQIEISA-N 0 1 205.305 2.174 20 0 BEADMN C[N@@H+](Cc1ccc(O)cc1)Cc1ccccn1 ZINC000349368304 136343803 /nfs/dbraw/zinc/34/38/03/136343803.db2.gz OFVNSHHARJPGDB-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN CN(Cc1ccc(O)cc1)Cc1ccccn1 ZINC000349368304 136343804 /nfs/dbraw/zinc/34/38/04/136343804.db2.gz OFVNSHHARJPGDB-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN CN(Cc1ccncc1)Cc1ccc(O)cc1 ZINC000349379223 136343858 /nfs/dbraw/zinc/34/38/58/136343858.db2.gz BOMHRWUYHSNDCU-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN CC(C)=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000275901394 187339406 /nfs/dbraw/zinc/33/94/06/187339406.db2.gz VDNKPGIEXAKNLU-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cc(CN2C[C@H](F)C[C@H]2CO)c(C)s1 ZINC000335736706 136350780 /nfs/dbraw/zinc/35/07/80/136350780.db2.gz QWDLBADZKSQRMF-NEPJUHHUSA-N 0 1 243.347 2.270 20 0 BEADMN CC(C)=CCN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000335683194 136329109 /nfs/dbraw/zinc/32/91/09/136329109.db2.gz TYKGXUJQBLNSDQ-UONOGXRCSA-N 0 1 239.359 2.223 20 0 BEADMN CN[C@@H](C)c1cn(CCCC2CCC2)nn1 ZINC000641089256 362212612 /nfs/dbraw/zinc/21/26/12/362212612.db2.gz SHAWXPWTHPLEMI-JTQLQIEISA-N 0 1 222.336 2.139 20 0 BEADMN CCC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000349174967 136330806 /nfs/dbraw/zinc/33/08/06/136330806.db2.gz HONWWYHGIFWXPI-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN COC[C@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000349249410 136332926 /nfs/dbraw/zinc/33/29/26/136332926.db2.gz XHSOLKPGXGAHFL-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN c1c(CNC2CC2)nnn1CCCC1CCC1 ZINC000641090384 362215307 /nfs/dbraw/zinc/21/53/07/362215307.db2.gz ZHMAQDWVPVZTRW-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2ncnn2C(C)(C)C)C1 ZINC000335702591 136334473 /nfs/dbraw/zinc/33/44/73/136334473.db2.gz BQXGQCHTXWCWRX-QWRGUYRKSA-N 0 1 236.363 2.263 20 0 BEADMN Cc1cnc(CN2CCC(C)=C(C)C2)cn1 ZINC000335712805 136338168 /nfs/dbraw/zinc/33/81/68/136338168.db2.gz MGNNUXICINCRPX-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN CCc1ncc(CN2CCOC[C@@H](C)C2)s1 ZINC000335717127 136339348 /nfs/dbraw/zinc/33/93/48/136339348.db2.gz CZTDRBPQRWWTAM-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN Cc1ccnc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000335716696 136339661 /nfs/dbraw/zinc/33/96/61/136339661.db2.gz KUVSBNOHLABSJF-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN Cn1cccc1C(=O)CN1CCCC12CCC2 ZINC000335717731 136340044 /nfs/dbraw/zinc/34/00/44/136340044.db2.gz YHJFYCUKRZJOJL-UHFFFAOYSA-N 0 1 232.327 2.226 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H]2C2CCCC2)[nH]1 ZINC000335877514 136356481 /nfs/dbraw/zinc/35/64/81/136356481.db2.gz QAQOUHHKZCCDMM-LBPRGKRZSA-N 0 1 234.347 2.268 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1[nH]nc2ccccc21 ZINC000335879096 136356533 /nfs/dbraw/zinc/35/65/33/136356533.db2.gz ZBIKFVSEYFGRPC-DTORHVGOSA-N 0 1 229.283 2.186 20 0 BEADMN Cc1[nH]nc2ncc(CN[C@@H]3CCC[C@@H]3F)cc12 ZINC000335898344 136359510 /nfs/dbraw/zinc/35/95/10/136359510.db2.gz SIDDMMIYPICBPI-NWDGAFQWSA-N 0 1 248.305 2.247 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000044539023 343506461 /nfs/dbraw/zinc/50/64/61/343506461.db2.gz XZKPSSBNZBNLIU-LLVKDONJSA-N 0 1 247.323 2.449 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000044620382 343510422 /nfs/dbraw/zinc/51/04/22/343510422.db2.gz LEIUTJDQSXEYLK-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1nccn1C ZINC000624222953 343510856 /nfs/dbraw/zinc/51/08/56/343510856.db2.gz KNDIABFESQOTSF-FRRDWIJNSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1csc(CN[C@@H]2CCSC2)n1 ZINC000038090811 187262630 /nfs/dbraw/zinc/26/26/30/187262630.db2.gz VAGZXBBAIILGIN-MRVPVSSYSA-N 0 1 214.359 2.047 20 0 BEADMN Cc1nc(F)ccc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000278516965 187340859 /nfs/dbraw/zinc/34/08/59/187340859.db2.gz XOEHTBLLPTUEEO-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1nc(F)ccc1CN(C)C[C@@H]1CCCO1 ZINC000278516965 187340861 /nfs/dbraw/zinc/34/08/61/187340861.db2.gz XOEHTBLLPTUEEO-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCCCN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000045012082 343521233 /nfs/dbraw/zinc/52/12/33/343521233.db2.gz SUHYGKNNPOPSAV-UHFFFAOYSA-N 0 1 223.320 2.405 20 0 BEADMN CC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000045752003 343533617 /nfs/dbraw/zinc/53/36/17/343533617.db2.gz QZLXZHZAMJLXIG-ZDUSSCGKSA-N 0 1 205.301 2.297 20 0 BEADMN CC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000045752002 343533626 /nfs/dbraw/zinc/53/36/26/343533626.db2.gz QZLXZHZAMJLXIG-CYBMUJFWSA-N 0 1 205.301 2.297 20 0 BEADMN CCCC[N@@H+](CCCc1ccccc1)CC(N)=O ZINC000045805674 343534438 /nfs/dbraw/zinc/53/44/38/343534438.db2.gz COGXIKXYUXKOFN-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCC[C@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000568165309 343557747 /nfs/dbraw/zinc/55/77/47/343557747.db2.gz KTNUYDZANXDEID-RYUDHWBXSA-N 0 1 248.374 2.462 20 0 BEADMN c1ccc2c(c1)CN(C[C@@H]1CCCO1)CCO2 ZINC000076849031 343557938 /nfs/dbraw/zinc/55/79/38/343557938.db2.gz OGODTESHGWFELE-ZDUSSCGKSA-N 0 1 233.311 2.060 20 0 BEADMN CCn1ccnc1CNC[C@@H](CC(C)C)OC ZINC000584102796 343558076 /nfs/dbraw/zinc/55/80/76/343558076.db2.gz QAGPQDYSQVOLQY-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN CC(C)(C)[C@H]1CN(CCc2cccnc2)CCO1 ZINC000279847249 187341532 /nfs/dbraw/zinc/34/15/32/187341532.db2.gz RWUJLWRFGBKMRQ-CQSZACIVSA-N 0 1 248.370 2.371 20 0 BEADMN CCc1nnc(NC(=O)[C@@H](C)C(CC)CC)[nH]1 ZINC000479128597 529743887 /nfs/dbraw/zinc/74/38/87/529743887.db2.gz HUBRDPJGYNXSLF-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](C)C(CC)CC)n1 ZINC000479128597 529743888 /nfs/dbraw/zinc/74/38/88/529743888.db2.gz HUBRDPJGYNXSLF-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1nc(S[C@H](C)c2cnc(C)cn2)n[nH]1 ZINC000488237752 529744451 /nfs/dbraw/zinc/74/44/51/529744451.db2.gz SNWGZPKMPRDDOB-MRVPVSSYSA-N 0 1 249.343 2.319 20 0 BEADMN CCc1n[nH]c(S[C@H](C)c2cnc(C)cn2)n1 ZINC000488237752 529744452 /nfs/dbraw/zinc/74/44/52/529744452.db2.gz SNWGZPKMPRDDOB-MRVPVSSYSA-N 0 1 249.343 2.319 20 0 BEADMN CC[C@@H](C)[N@@H+](CCOCCC(C)C)CC(=O)[O-] ZINC000049267592 343594745 /nfs/dbraw/zinc/59/47/45/343594745.db2.gz GLEAIGSKVMUHRC-GFCCVEGCSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](CO)C(C)C)cs1 ZINC000086120355 343610502 /nfs/dbraw/zinc/61/05/02/343610502.db2.gz FWKKWQVUHXWWMI-SCZZXKLOSA-N 0 1 228.361 2.119 20 0 BEADMN CCN1CCN(Cc2ccc(Cl)o2)C[C@H]1C ZINC000678259060 488227562 /nfs/dbraw/zinc/22/75/62/488227562.db2.gz YBBQCYPTQIUGBI-SNVBAGLBSA-N 0 1 242.750 2.459 20 0 BEADMN Cc1nnc([C@@H](C)NCC2(C)CCC2)o1 ZINC000379995683 365785936 /nfs/dbraw/zinc/78/59/36/365785936.db2.gz IFXJBOVEEDQXGF-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CCOC[C@@H](C)NCc1nc(C)c(C)s1 ZINC000087375798 343645824 /nfs/dbraw/zinc/64/58/24/343645824.db2.gz AGPVEEBFODVQOW-MRVPVSSYSA-N 0 1 228.361 2.275 20 0 BEADMN c1csc(CCCNCc2cocn2)c1 ZINC000379806686 343630974 /nfs/dbraw/zinc/63/09/74/343630974.db2.gz OBVOKAYMQKDVOS-UHFFFAOYSA-N 0 1 222.313 2.459 20 0 BEADMN Cc1ccc(CN2CC(C)(C)[C@H]2C2CC2)nn1 ZINC000335648491 178564285 /nfs/dbraw/zinc/56/42/85/178564285.db2.gz WWVAIFIMVOTFRR-CYBMUJFWSA-N 0 1 231.343 2.405 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cccc(F)c1F ZINC000285539759 187345318 /nfs/dbraw/zinc/34/53/18/187345318.db2.gz FVSLIUJIBDPPNZ-VIFPVBQESA-N 0 1 229.270 2.432 20 0 BEADMN CC1(C)COCCN1CC[C@@H](O)c1ccccc1 ZINC000053933346 343654290 /nfs/dbraw/zinc/65/42/90/343654290.db2.gz AEOMQEDMYHTYQQ-CQSZACIVSA-N 0 1 249.354 2.221 20 0 BEADMN CCCC[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000058874861 343703115 /nfs/dbraw/zinc/70/31/15/343703115.db2.gz CFONLKBTCVGHSU-UHFFFAOYSA-N 0 1 234.343 2.381 20 0 BEADMN CCCCN(C)CC(=O)N(C)c1ccccc1 ZINC000058874861 343703116 /nfs/dbraw/zinc/70/31/16/343703116.db2.gz CFONLKBTCVGHSU-UHFFFAOYSA-N 0 1 234.343 2.381 20 0 BEADMN COC(=O)C12CCC(CC1)N2CC1=CCCC1 ZINC000602986755 349838293 /nfs/dbraw/zinc/83/82/93/349838293.db2.gz NXBSARWZJZGNJQ-UHFFFAOYSA-N 0 1 235.327 2.267 20 0 BEADMN Fc1ccccc1CCN1CCc2nc[nH]c2C1 ZINC000625434831 343735957 /nfs/dbraw/zinc/73/59/57/343735957.db2.gz HSECCNFYJAWUHD-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261538368 349849882 /nfs/dbraw/zinc/84/98/82/349849882.db2.gz XWCJGPITLZYMID-ZYHUDNBSSA-N 0 1 213.321 2.362 20 0 BEADMN C(=C\c1ccccc1)\CN1CCc2nc[nH]c2C1 ZINC000625437823 343740134 /nfs/dbraw/zinc/74/01/34/343740134.db2.gz JBWYNHMSBUJLAE-DAXSKMNVSA-N 0 1 239.322 2.481 20 0 BEADMN Cc1c[nH]c(CN2CC[C@]3(C)[C@H](C2)C3(F)F)n1 ZINC000628290487 346960864 /nfs/dbraw/zinc/96/08/64/346960864.db2.gz GTCXNBNOPOXVAJ-GXSJLCMTSA-N 0 1 241.285 2.195 20 0 BEADMN CC[C@@H](N[C@@H](C)c1ccccc1Cl)C(N)=O ZINC000061677057 343727928 /nfs/dbraw/zinc/72/79/28/343727928.db2.gz CNMNPVJRAIITCA-GZMMTYOYSA-N 0 1 240.734 2.255 20 0 BEADMN CCNC(=O)CN(CC)Cc1cc(C)ccc1C ZINC000061783836 343729184 /nfs/dbraw/zinc/72/91/84/343729184.db2.gz HKAMIWIRNUOSDZ-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)CO ZINC000289189782 187347579 /nfs/dbraw/zinc/34/75/79/187347579.db2.gz BHXLACIARMINIW-CNELAYHGSA-N 0 1 219.328 2.403 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000584172439 343768697 /nfs/dbraw/zinc/76/86/97/343768697.db2.gz PQCVDHWUKVWNOM-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN CC(=O)Nc1cc(NCc2cnc[nH]2)ccc1F ZINC000054765026 187272316 /nfs/dbraw/zinc/27/23/16/187272316.db2.gz MDVPBQLJGNSQQK-UHFFFAOYSA-N 0 1 248.261 2.119 20 0 BEADMN CC(=O)[C@@H](C)SCc1n[nH]c(C(C)C)n1 ZINC000291707510 187348298 /nfs/dbraw/zinc/34/82/98/187348298.db2.gz PPSDABCKOKJGJS-MRVPVSSYSA-N 0 1 227.333 2.139 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000167737225 537810543 /nfs/dbraw/zinc/81/05/43/537810543.db2.gz GISMTTYHXQVKRH-ZJUUUORDSA-N 0 1 226.320 2.311 20 0 BEADMN CN(CC(=O)NCc1ccccc1)[C@H]1CC1(C)C ZINC000489467748 529835841 /nfs/dbraw/zinc/83/58/41/529835841.db2.gz GEVJTKPZNRAJFD-ZDUSSCGKSA-N 0 1 246.354 2.033 20 0 BEADMN CC1(C)COC[C@@H]1NCc1c(F)cccc1F ZINC000313061203 343780818 /nfs/dbraw/zinc/78/08/18/343780818.db2.gz HYSBMIPJQBJAFU-LBPRGKRZSA-N 0 1 241.281 2.479 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)C[C@]1(C)C(=O)[O-] ZINC000570456772 323060314 /nfs/dbraw/zinc/06/03/14/323060314.db2.gz LOMCKCMPKARGGR-MFKMUULPSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000065006317 187274257 /nfs/dbraw/zinc/27/42/57/187274257.db2.gz IIEXKIIBPMHGMW-UHFFFAOYSA-N 0 1 203.245 2.157 20 0 BEADMN CCc1cc(NC(=O)[C@H](C)N(C)C)ccc1F ZINC000672112006 488236766 /nfs/dbraw/zinc/23/67/66/488236766.db2.gz NCIRWPFKWGVFBS-VIFPVBQESA-N 0 1 238.306 2.277 20 0 BEADMN CC(C)(O)C1CN(C/C=C/c2ccccc2)C1 ZINC000297501727 187353096 /nfs/dbraw/zinc/35/30/96/187353096.db2.gz WFNMKOUSGKXTGA-RMKNXTFCSA-N 0 1 231.339 2.403 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@H]2C(C)C)n1 ZINC000336683742 537826805 /nfs/dbraw/zinc/82/68/05/537826805.db2.gz SNCCCBVRHUXPOI-INTQDDNPSA-N 0 1 223.320 2.463 20 0 BEADMN CC[C@@H](NCc1cn[nH]n1)c1ccccc1 ZINC000295884801 343876139 /nfs/dbraw/zinc/87/61/39/343876139.db2.gz AYYIBKLNFQRSSD-GFCCVEGCSA-N 0 1 216.288 2.046 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H](C)C2)o1 ZINC000187914226 343868352 /nfs/dbraw/zinc/86/83/52/343868352.db2.gz WCZYSTQOXZBYDA-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN CC[C@@H](NCC(F)(F)CO)C1CCCC1 ZINC000387673725 347002485 /nfs/dbraw/zinc/00/24/85/347002485.db2.gz QKIALASLENVEFK-SNVBAGLBSA-N 0 1 221.291 2.172 20 0 BEADMN CC[C@H](NCC(F)(F)CO)C1CCCC1 ZINC000387673724 347002529 /nfs/dbraw/zinc/00/25/29/347002529.db2.gz QKIALASLENVEFK-JTQLQIEISA-N 0 1 221.291 2.172 20 0 BEADMN COc1cncc(C[N@H+]2CC(C)(C)C[C@@H]2C)n1 ZINC000625473705 343873066 /nfs/dbraw/zinc/87/30/66/343873066.db2.gz ZFOSZBCZWMBXAQ-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN COc1cncc(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000625473705 343873068 /nfs/dbraw/zinc/87/30/68/343873068.db2.gz ZFOSZBCZWMBXAQ-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN Cc1noc(C[C@@H](NCCF)c2ccccc2)n1 ZINC000429552432 192368113 /nfs/dbraw/zinc/36/81/13/192368113.db2.gz KBWYGSZOTNVDIV-GFCCVEGCSA-N 0 1 249.289 2.221 20 0 BEADMN CC(C)CC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000042458206 343918199 /nfs/dbraw/zinc/91/81/99/343918199.db2.gz YJIKTUHBHVHPKQ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2C)[nH]c1C ZINC000628119554 343971381 /nfs/dbraw/zinc/97/13/81/343971381.db2.gz ZLOJWCUHBXWIND-SECBINFHSA-N 0 1 207.321 2.401 20 0 BEADMN Cc1ccc([C@H](C)CN(C)CC(=O)N(C)C)cc1 ZINC000628120189 343972614 /nfs/dbraw/zinc/97/26/14/343972614.db2.gz BTNQZMZUWJIYOU-CYBMUJFWSA-N 0 1 248.370 2.119 20 0 BEADMN CN[C@@H](C)c1cn([C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000641232632 362285192 /nfs/dbraw/zinc/28/51/92/362285192.db2.gz GZOAPUNAUGHXFE-VHRBIJSZSA-N 0 1 242.326 2.287 20 0 BEADMN CCN(C)[C@H](C(=O)N1CC[C@@H]1C)c1ccccc1 ZINC000641245173 362309822 /nfs/dbraw/zinc/30/98/22/362309822.db2.gz WZAHYIMVTZXTAW-JSGCOSHPSA-N 0 1 246.354 2.300 20 0 BEADMN CCCCCc1cc(C(=O)N2CC[C@@H]2C)n[nH]1 ZINC000641246285 362315215 /nfs/dbraw/zinc/31/52/15/362315215.db2.gz DHUJZJHCBCLFNN-JTQLQIEISA-N 0 1 235.331 2.377 20 0 BEADMN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)no1 ZINC000625772838 344069649 /nfs/dbraw/zinc/06/96/49/344069649.db2.gz LYEWRKSIGUTFSL-NEPJUHHUSA-N 0 1 238.356 2.453 20 0 BEADMN CCN(Cc1cccs1)C(=O)c1ccn[nH]1 ZINC000078795965 344102770 /nfs/dbraw/zinc/10/27/70/344102770.db2.gz GOHRTYCOQBCNHP-UHFFFAOYSA-N 0 1 235.312 2.134 20 0 BEADMN CC(C)C[C@H]1COCCN1Cc1ccn(C)c1 ZINC000093340131 187286879 /nfs/dbraw/zinc/28/68/79/187286879.db2.gz HCQVMNMJTHBOLW-AWEZNQCLSA-N 0 1 236.359 2.272 20 0 BEADMN Clc1sccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634745780 344170039 /nfs/dbraw/zinc/17/00/39/344170039.db2.gz SNDSJQFDALEIFM-AOOOYVTPSA-N 0 1 243.759 2.480 20 0 BEADMN C/C=C/CN=c1nc[nH]c2c(C)csc21 ZINC000384857043 344184673 /nfs/dbraw/zinc/18/46/73/344184673.db2.gz CRFQWQNXSMBABS-ONEGZZNKSA-N 0 1 219.313 2.410 20 0 BEADMN Cc1cnccc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000384874223 344202693 /nfs/dbraw/zinc/20/26/93/344202693.db2.gz RRPNBEPBDADZQJ-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+](C)Cc1cnc(C)s1 ZINC000400056281 344267434 /nfs/dbraw/zinc/26/74/34/344267434.db2.gz DWJLDZMOYVBNKX-SNVBAGLBSA-N 0 1 242.344 2.137 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cnc(C)s1 ZINC000400056281 344267438 /nfs/dbraw/zinc/26/74/38/344267438.db2.gz DWJLDZMOYVBNKX-SNVBAGLBSA-N 0 1 242.344 2.137 20 0 BEADMN c1[nH]nnc1CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600580685 344297177 /nfs/dbraw/zinc/29/71/77/344297177.db2.gz SSSJIGNNNWWMJT-AYMMMOKOSA-N 0 1 209.318 2.084 20 0 BEADMN Cc1nc([C@@H](C)S[C@H]2COC(C)(C)C2)n[nH]1 ZINC000600568435 344282754 /nfs/dbraw/zinc/28/27/54/344282754.db2.gz BWUUDPLTUVFFPD-VXNVDRBHSA-N 0 1 241.360 2.475 20 0 BEADMN COCCNCc1ncc(C(C)C)s1 ZINC000132373505 344298244 /nfs/dbraw/zinc/29/82/44/344298244.db2.gz SYJUFDJOPZWBNJ-UHFFFAOYSA-N 0 1 214.334 2.003 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000092431032 344295152 /nfs/dbraw/zinc/29/51/52/344295152.db2.gz IGZRGDFETQKRRA-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1csc(CN2CCCC[C@@H]2[C@@H](C)O)n1 ZINC000088598564 344241103 /nfs/dbraw/zinc/24/11/03/344241103.db2.gz KFVNXMROBQGJLW-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCCc2ccccc2C1 ZINC000088796518 344242092 /nfs/dbraw/zinc/24/20/92/344242092.db2.gz HJACLSQAUHBKHO-CQSZACIVSA-N 0 1 245.322 2.298 20 0 BEADMN C[N@@H+](CCc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000088796738 344242114 /nfs/dbraw/zinc/24/21/14/344242114.db2.gz XAZWZOYYOQAUMK-CYBMUJFWSA-N 0 1 233.311 2.024 20 0 BEADMN CCc1nc(CNCC(C)(C)OC)cs1 ZINC000133027150 344311550 /nfs/dbraw/zinc/31/15/50/344311550.db2.gz NOMVAGDPBFHNGQ-UHFFFAOYSA-N 0 1 228.361 2.220 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H](CCO)C2)o1 ZINC000678463530 488257884 /nfs/dbraw/zinc/25/78/84/488257884.db2.gz VRLGOGIWQJFEQJ-NWDGAFQWSA-N 0 1 238.331 2.138 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc(F)c1 ZINC000092926446 344305720 /nfs/dbraw/zinc/30/57/20/344305720.db2.gz PEVDLYNVZVPQJB-JOYOIKCWSA-N 0 1 237.274 2.121 20 0 BEADMN CC(C)OCCNCc1ccc(Cl)o1 ZINC000132730776 344308014 /nfs/dbraw/zinc/30/80/14/344308014.db2.gz KSEDYWUTJUIAKM-UHFFFAOYSA-N 0 1 217.696 2.448 20 0 BEADMN CCN(C(=O)CCc1cnc[nH]1)[C@H](C)C(C)C ZINC000584301242 344437456 /nfs/dbraw/zinc/43/74/56/344437456.db2.gz OEPIDHXVQADJMG-LLVKDONJSA-N 0 1 237.347 2.235 20 0 BEADMN C/C(=C\C[N@@H+]1C[C@@H](C)CC1(C)C)C(=O)[O-] ZINC000380449515 344369713 /nfs/dbraw/zinc/36/97/13/344369713.db2.gz KTXXLSNYBKZZFS-UMYFRRCYSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1ccc(Br)c2nn[nH]c21 ZINC000101254172 344419652 /nfs/dbraw/zinc/41/96/52/344419652.db2.gz FHMSZTDANWCLEB-UHFFFAOYSA-N 0 1 212.050 2.029 20 0 BEADMN COC(=O)CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042207059 344445967 /nfs/dbraw/zinc/44/59/67/344445967.db2.gz SJRTWWCHEIVLAQ-UHFFFAOYSA-N 0 1 241.718 2.335 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1 ZINC000042435839 344452984 /nfs/dbraw/zinc/45/29/84/344452984.db2.gz KKOONHSIPFZEMA-LBPRGKRZSA-N 0 1 221.300 2.290 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CC[C@H]1C(=O)[O-] ZINC000402228514 344470672 /nfs/dbraw/zinc/47/06/72/344470672.db2.gz WSEZJLIJGNNNDS-JHJVBQTASA-N 0 1 237.343 2.385 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cscn1 ZINC000381197059 344483767 /nfs/dbraw/zinc/48/37/67/344483767.db2.gz BGYXJFDFXQEKNN-UXCLJVHYSA-N 0 1 238.356 2.361 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H](N)c1ccccc1 ZINC000037173416 344497641 /nfs/dbraw/zinc/49/76/41/344497641.db2.gz AZUPSRVDCAYZIB-DGCLKSJQSA-N 0 1 234.343 2.191 20 0 BEADMN CO[C@@H](C)CN(Cc1snnc1C)C(C)C ZINC000577283485 344514849 /nfs/dbraw/zinc/51/48/49/344514849.db2.gz ZEUZINCVZISQHJ-VIFPVBQESA-N 0 1 243.376 2.092 20 0 BEADMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1CCO ZINC000259043123 344533436 /nfs/dbraw/zinc/53/34/36/344533436.db2.gz LPFYSKIVNOXHLL-LBPRGKRZSA-N 0 1 246.310 2.025 20 0 BEADMN C[C@@H](O)CCN(C)Cc1ccccc1F ZINC000044173809 344536722 /nfs/dbraw/zinc/53/67/22/344536722.db2.gz NIVMOZVPHPDHRA-SNVBAGLBSA-N 0 1 211.280 2.028 20 0 BEADMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1CCO ZINC000259088792 344539183 /nfs/dbraw/zinc/53/91/83/344539183.db2.gz QCJFPMHWIORJNK-GFCCVEGCSA-N 0 1 246.310 2.025 20 0 BEADMN CCN1C[C@H](C)N(c2ccncc2F)C[C@H]1C ZINC000641471059 362438984 /nfs/dbraw/zinc/43/89/84/362438984.db2.gz USXUOMPQHPLUPR-MNOVXSKESA-N 0 1 237.322 2.140 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCc3c(O)cccc3C2)O1 ZINC000626028206 344680664 /nfs/dbraw/zinc/68/06/64/344680664.db2.gz BFXIICVXFCACKK-DGCLKSJQSA-N 0 1 247.338 2.318 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000152699242 344659098 /nfs/dbraw/zinc/65/90/98/344659098.db2.gz JCRHJSFDNDOEKI-HBNTYKKESA-N 0 1 235.331 2.425 20 0 BEADMN COc1cccc2c1CN(CCC(C)(C)O)C2 ZINC000626022363 344677536 /nfs/dbraw/zinc/67/75/36/344677536.db2.gz PMTDSFSVSBXBHP-UHFFFAOYSA-N 0 1 235.327 2.172 20 0 BEADMN CCN1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114445903 344687256 /nfs/dbraw/zinc/68/72/56/344687256.db2.gz DHTBMMRHAABYLU-UHFFFAOYSA-N 0 1 249.289 2.109 20 0 BEADMN CC(=O)CCN1CCOC2(C1)CCCCCC2 ZINC000152792709 344693996 /nfs/dbraw/zinc/69/39/96/344693996.db2.gz NKJYPGYKGJFKGV-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN CCc1nc(CN(C)[C@H](C)c2ccco2)n[nH]1 ZINC000181663690 347067765 /nfs/dbraw/zinc/06/77/65/347067765.db2.gz IRZUVIQGTGNFIP-SECBINFHSA-N 0 1 234.303 2.153 20 0 BEADMN CCCCCN(CC)CC(=O)OCC ZINC000050051212 344717810 /nfs/dbraw/zinc/71/78/10/344717810.db2.gz AVSBYCUPGGPXAK-UHFFFAOYSA-N 0 1 201.310 2.062 20 0 BEADMN CCc1nnc(CN2C[C@@H](C)C[C@@H]2CC)o1 ZINC000075021819 344761935 /nfs/dbraw/zinc/76/19/35/344761935.db2.gz ZUDPFHMTJGAAEC-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nc(CSc2ccccn2)n[nH]1 ZINC000181715293 347070782 /nfs/dbraw/zinc/07/07/82/347070782.db2.gz XIZSIELKYIFOPF-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ncc[nH]1 ZINC000138898612 537859500 /nfs/dbraw/zinc/85/95/00/537859500.db2.gz JEBAWANTLKLRIR-VHSXEESVSA-N 0 1 237.347 2.406 20 0 BEADMN OCCCCCN1CCOC[C@@H]1c1ccccc1 ZINC000076118873 344797456 /nfs/dbraw/zinc/79/74/56/344797456.db2.gz OYTFDQHEHPZWGA-OAHLLOKOSA-N 0 1 249.354 2.223 20 0 BEADMN COC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1OC ZINC000076711027 344808480 /nfs/dbraw/zinc/80/84/80/344808480.db2.gz AWQCUNYKLSXHFG-GFCCVEGCSA-N 0 1 237.343 2.470 20 0 BEADMN C[C@H](c1cccnc1)N1CCSCC1 ZINC000076693029 344808611 /nfs/dbraw/zinc/80/86/11/344808611.db2.gz QLZKAUAFSFMXKW-SNVBAGLBSA-N 0 1 208.330 2.191 20 0 BEADMN CC1(C)CN(Cc2cccc3n[nH]cc32)CCO1 ZINC000628144552 344814030 /nfs/dbraw/zinc/81/40/30/344814030.db2.gz IMOPLEOZHXLCAF-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCC[N@H+](CC(N)=O)C[C@@H]1CCCC[C@@H]1CC ZINC000628292693 347084418 /nfs/dbraw/zinc/08/44/18/347084418.db2.gz PSQKTIXAPRDISN-STQMWFEESA-N 0 1 240.391 2.400 20 0 BEADMN Cc1ncc(CN2CCC[C@H](n3ccnc3)C2)o1 ZINC000628162496 344863565 /nfs/dbraw/zinc/86/35/65/344863565.db2.gz SLVRDLCUCYDVLG-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)c1nnc(CN2CC[C@H]3CCC[C@H]32)n1C ZINC000336105671 534977217 /nfs/dbraw/zinc/97/72/17/534977217.db2.gz VRPTWZHRUWDXTD-VXGBXAGGSA-N 0 1 248.374 2.313 20 0 BEADMN CC(C)COCCCNCc1nccs1 ZINC000082394028 344903381 /nfs/dbraw/zinc/90/33/81/344903381.db2.gz PUEWABSYVUKNBX-UHFFFAOYSA-N 0 1 228.361 2.295 20 0 BEADMN CC(C)[C@H](O)CNCc1c(F)cccc1F ZINC000123926060 187295497 /nfs/dbraw/zinc/29/54/97/187295497.db2.gz KKMYPODRKLIPAU-GFCCVEGCSA-N 0 1 229.270 2.071 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)[C@@H]2C)o1 ZINC000628179181 344914229 /nfs/dbraw/zinc/91/42/29/344914229.db2.gz QGIPBUMZAPEDHB-DTWKUNHWSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1ncc(CN2CCSC(C)(C)C2)o1 ZINC000628179218 344914261 /nfs/dbraw/zinc/91/42/61/344914261.db2.gz RWKVXVQMJNAAMN-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)[C@@H]2C)o1 ZINC000628179182 344914519 /nfs/dbraw/zinc/91/45/19/344914519.db2.gz QGIPBUMZAPEDHB-IUCAKERBSA-N 0 1 226.345 2.309 20 0 BEADMN OCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000079133918 344942011 /nfs/dbraw/zinc/94/20/11/344942011.db2.gz XLCFAEYQQUKRRS-VOTSOKGWSA-N 0 1 247.323 2.060 20 0 BEADMN Cc1nc(CN2CC[C@H](C)[C@@H]2C)[nH]c1C ZINC000628189663 344942251 /nfs/dbraw/zinc/94/22/51/344942251.db2.gz IXKQLSBVZFYAET-KWQFWETISA-N 0 1 207.321 2.257 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C(C)C)C2)n1 ZINC000628189750 344942563 /nfs/dbraw/zinc/94/25/63/344942563.db2.gz MGIWNLYTONYHHP-LLVKDONJSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1nc(CN2CC[C@H](C)[C@H]2C)[nH]c1C ZINC000628189661 344942573 /nfs/dbraw/zinc/94/25/73/344942573.db2.gz IXKQLSBVZFYAET-GZMMTYOYSA-N 0 1 207.321 2.257 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000583445894 344990772 /nfs/dbraw/zinc/99/07/72/344990772.db2.gz FWDGJMVLMNHBKI-TUAOUCFPSA-N 0 1 227.348 2.464 20 0 BEADMN CCOCCN1CCC[C@@H]1c1cc(C)no1 ZINC000079899578 345051325 /nfs/dbraw/zinc/05/13/25/345051325.db2.gz POZWHBRRDCRBPR-LLVKDONJSA-N 0 1 224.304 2.156 20 0 BEADMN CC[C@@H]1CN(CC2(C)CC2)C[C@@H](C)[S@@]1=O ZINC000569625990 345071740 /nfs/dbraw/zinc/07/17/40/345071740.db2.gz YNEUYKLKMOOCPT-HFAKWTLXSA-N 0 1 229.389 2.018 20 0 BEADMN CC1(C)CN(CC2(F)CC2)CC(C)(C)O1 ZINC000561427045 345085044 /nfs/dbraw/zinc/08/50/44/345085044.db2.gz UJCPXWSJJZWADH-UHFFFAOYSA-N 0 1 215.312 2.378 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000154893724 345055574 /nfs/dbraw/zinc/05/55/74/345055574.db2.gz CXERPHCDOXXRRM-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000154893445 345055686 /nfs/dbraw/zinc/05/56/86/345055686.db2.gz CXERPHCDOXXRRM-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccc(F)c(F)c1 ZINC000335072347 345116824 /nfs/dbraw/zinc/11/68/24/345116824.db2.gz XJZDETMZIAQDGR-LBPRGKRZSA-N 0 1 241.281 2.310 20 0 BEADMN COc1ccccc1CCNCc1ccon1 ZINC000634950067 345123266 /nfs/dbraw/zinc/12/32/66/345123266.db2.gz IATPURYVPVAFFL-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN CC[C@@H](O)CNc1ccnc(C)c1Cl ZINC000306212451 345119843 /nfs/dbraw/zinc/11/98/43/345119843.db2.gz VUOJKMIHYZSHAW-MRVPVSSYSA-N 0 1 214.696 2.226 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC1CC1 ZINC000050925895 345097512 /nfs/dbraw/zinc/09/75/12/345097512.db2.gz CYQKAODRWQWGKE-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CCC[C@H](CNCc1oc(C)nc1C)OC ZINC000385986875 345103507 /nfs/dbraw/zinc/10/35/07/345103507.db2.gz ISMIWLRAPOVTMH-LLVKDONJSA-N 0 1 226.320 2.196 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H](C)[C@@H]1C ZINC000156058792 345122788 /nfs/dbraw/zinc/12/27/88/345122788.db2.gz GBQUQXUJTVXVRR-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN c1cc(CN[C@H](C2CC2)[C@@H]2CCCCO2)no1 ZINC000634985450 345165430 /nfs/dbraw/zinc/16/54/30/345165430.db2.gz UDJMXBRZIJOPGW-QWHCGFSZSA-N 0 1 236.315 2.112 20 0 BEADMN CC(C)(CNCc1ccon1)c1cccnc1 ZINC000634984231 345168007 /nfs/dbraw/zinc/16/80/07/345168007.db2.gz LOCUHKJWPDUUTL-UHFFFAOYSA-N 0 1 231.299 2.137 20 0 BEADMN COCCCNCc1nc2cc(F)ccc2o1 ZINC000634949671 345126048 /nfs/dbraw/zinc/12/60/48/345126048.db2.gz XNGWFHPGXVESDM-UHFFFAOYSA-N 0 1 238.262 2.093 20 0 BEADMN Cc1ccccc1CCNCc1ccon1 ZINC000634950169 345126604 /nfs/dbraw/zinc/12/66/04/345126604.db2.gz LKQXARNDOXFUQU-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCO2)nc1 ZINC000156227912 345140708 /nfs/dbraw/zinc/14/07/08/345140708.db2.gz PKEGJCPFZNBCJA-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(CNCc1ccon1)[C@H]1CCCCO1 ZINC000634968249 345144036 /nfs/dbraw/zinc/14/40/36/345144036.db2.gz KFJMCEHPRSYYCT-GFCCVEGCSA-N 0 1 238.331 2.360 20 0 BEADMN O[C@H]1CCCC[C@H]1CCCNCc1ccon1 ZINC000634969722 345144074 /nfs/dbraw/zinc/14/40/74/345144074.db2.gz WROFXTMHJDXQKX-AAEUAGOBSA-N 0 1 238.331 2.096 20 0 BEADMN CC(C)C[C@H]1C[C@@H](NCc2ccon2)CCO1 ZINC000634974943 345150203 /nfs/dbraw/zinc/15/02/03/345150203.db2.gz NUDYBYVXXVVNPU-AAEUAGOBSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)C[C@H]1C[C@H](NCc2ccon2)CCO1 ZINC000634974946 345150352 /nfs/dbraw/zinc/15/03/52/345150352.db2.gz NUDYBYVXXVVNPU-YPMHNXCESA-N 0 1 238.331 2.358 20 0 BEADMN c1cc(CNCCC[C@@H]2CCCCO2)no1 ZINC000634975620 345150824 /nfs/dbraw/zinc/15/08/24/345150824.db2.gz CLGYBYXLEVOKJM-LBPRGKRZSA-N 0 1 224.304 2.114 20 0 BEADMN Cc1ncc(NC(=O)c2ncc(C)cc2O)s1 ZINC000427624533 345154196 /nfs/dbraw/zinc/15/41/96/345154196.db2.gz UILZKQNFRBOMCK-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN CC1(C)CCC[C@@](O)(CNCc2ccon2)C1 ZINC000634978130 345154438 /nfs/dbraw/zinc/15/44/38/345154438.db2.gz UFVRIRCMOXNBLE-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN CC1(C)CCC[C@](O)(CNCc2ccon2)C1 ZINC000634978129 345154871 /nfs/dbraw/zinc/15/48/71/345154871.db2.gz UFVRIRCMOXNBLE-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000579978006 345224723 /nfs/dbraw/zinc/22/47/23/345224723.db2.gz NDGGUEUEINYQEI-QWRGUYRKSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cc(OCC(=O)N2CCCCC2)cc(C)n1 ZINC000128170713 345227771 /nfs/dbraw/zinc/22/77/71/345227771.db2.gz MQAKOPUGNNQNDX-UHFFFAOYSA-N 0 1 248.326 2.090 20 0 BEADMN CC(C)n1ncnc1CNCCCC(C)(F)F ZINC000390102078 345236389 /nfs/dbraw/zinc/23/63/89/345236389.db2.gz QJFROYRBPAMBHL-UHFFFAOYSA-N 0 1 246.305 2.384 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635066570 345238904 /nfs/dbraw/zinc/23/89/04/345238904.db2.gz ZQOZRMFFNAZIEL-DDHJBXDOSA-N 0 1 247.342 2.018 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@@H]1CCCCN1C ZINC000635082200 345242325 /nfs/dbraw/zinc/24/23/25/345242325.db2.gz JBEKZZLGOKQCJN-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1ccc(CN(C)C(=O)[C@@H](C)N(C)C)cc1 ZINC000635102374 345246553 /nfs/dbraw/zinc/24/65/53/345246553.db2.gz UIOCRLLZCXNBHI-GFCCVEGCSA-N 0 1 248.370 2.158 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cnccc2N)o1 ZINC000635006438 345210753 /nfs/dbraw/zinc/21/07/53/345210753.db2.gz BNAMEDXYQAJEOW-JTQLQIEISA-N 0 1 231.299 2.246 20 0 BEADMN C[C@H](C(=O)N1CC[C@H](C)c2ccccc21)N(C)C ZINC000635355705 345320458 /nfs/dbraw/zinc/32/04/58/345320458.db2.gz AZYJZSKMRBBTFA-NWDGAFQWSA-N 0 1 246.354 2.477 20 0 BEADMN CC[C@H](CNC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635150686 345258826 /nfs/dbraw/zinc/25/88/26/345258826.db2.gz YUAIJXXNKDNBCG-CHWSQXEVSA-N 0 1 248.370 2.247 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1c(F)cccc1F ZINC000129614384 345259781 /nfs/dbraw/zinc/25/97/81/345259781.db2.gz GHSNNWWHYMVPTP-NWDGAFQWSA-N 0 1 241.281 2.214 20 0 BEADMN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)C ZINC000635150841 345260637 /nfs/dbraw/zinc/26/06/37/345260637.db2.gz SPGINPCWKIKCTN-VXGBXAGGSA-N 0 1 246.354 2.304 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC000635229953 345279107 /nfs/dbraw/zinc/27/91/07/345279107.db2.gz SSHYLQCGYBMCDU-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN CCCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000635234610 345280212 /nfs/dbraw/zinc/28/02/12/345280212.db2.gz YMHXRZHAZDAGNJ-VXGBXAGGSA-N 0 1 247.342 2.304 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635248090 345284370 /nfs/dbraw/zinc/28/43/70/345284370.db2.gz CWZSRMZPOKRITE-GHMZBOCLSA-N 0 1 235.331 2.018 20 0 BEADMN CCC1CCC(N(C)C(=O)[C@@H](C)N(C)C)CC1 ZINC000635245983 345287715 /nfs/dbraw/zinc/28/77/15/345287715.db2.gz YEBZUBQBEKMREN-PNESKVBLSA-N 0 1 240.391 2.364 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)c1cccc(C)c1 ZINC000635251645 345288160 /nfs/dbraw/zinc/28/81/60/345288160.db2.gz DOIPLOXQUDVRNG-GFCCVEGCSA-N 0 1 234.343 2.298 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635268820 345291428 /nfs/dbraw/zinc/29/14/28/345291428.db2.gz DBXGYBFXOVAOBY-VXGBXAGGSA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635271389 345292500 /nfs/dbraw/zinc/29/25/00/345292500.db2.gz PSKCGMCDEPLBCK-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635281416 345293731 /nfs/dbraw/zinc/29/37/31/345293731.db2.gz ZAXSZCAVZNTPSS-HBNTYKKESA-N 0 1 235.331 2.160 20 0 BEADMN O=c1cc(C[N@H+]2CCCC3(CC3)CC2)occ1O ZINC000626114091 345308424 /nfs/dbraw/zinc/30/84/24/345308424.db2.gz SHIQJMIFTQDAOB-UHFFFAOYSA-N 0 1 249.310 2.112 20 0 BEADMN Cc1noc(CN2CCCC3(CC3)CC2)n1 ZINC000626114256 345309877 /nfs/dbraw/zinc/30/98/77/345309877.db2.gz YZWDANPJTBGNHV-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN CC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635478466 345388350 /nfs/dbraw/zinc/38/83/50/345388350.db2.gz KRGGXNBICVJQKH-GHMZBOCLSA-N 0 1 247.342 2.162 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC2CCCCC2)cc1 ZINC000228073165 178857565 /nfs/dbraw/zinc/85/75/65/178857565.db2.gz CDOXPFNOYCYAKQ-CQSZACIVSA-N 0 1 246.354 2.444 20 0 BEADMN CC(C)CN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC000635462105 345381966 /nfs/dbraw/zinc/38/19/66/345381966.db2.gz MZYXGNCIZQDAMS-ZDUSSCGKSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](c1nncn1C)N1CCCC2(CC2)CC1 ZINC000626115229 345327642 /nfs/dbraw/zinc/32/76/42/345327642.db2.gz LLCBSCUGEUMICK-NSHDSACASA-N 0 1 234.347 2.142 20 0 BEADMN CC(C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000132496570 345333210 /nfs/dbraw/zinc/33/32/10/345333210.db2.gz GRJZTHOJFZGTGP-LBPRGKRZSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635512415 345409275 /nfs/dbraw/zinc/40/92/75/345409275.db2.gz RIORMTVGAUMNGP-DDHJBXDOSA-N 0 1 247.342 2.303 20 0 BEADMN C[C@@H](CN(C)C(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635482470 345391463 /nfs/dbraw/zinc/39/14/63/345391463.db2.gz KHELFRXHELQUEP-QWHCGFSZSA-N 0 1 248.370 2.199 20 0 BEADMN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635487229 345395399 /nfs/dbraw/zinc/39/53/99/345395399.db2.gz LGZXQAZDTYWHDH-JHJVBQTASA-N 0 1 240.391 2.412 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)[C@H]1CCCC[C@H]1C ZINC000635492951 345395958 /nfs/dbraw/zinc/39/59/58/345395958.db2.gz JZRKZTXCYUQTAY-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](C)N(C)C)C1CC1 ZINC000635505048 345402205 /nfs/dbraw/zinc/40/22/05/345402205.db2.gz HDFOWUZRXZPFOX-QJPTWQEYSA-N 0 1 240.391 2.362 20 0 BEADMN CCN(CC)CC(=O)Nc1sc(C)nc1C ZINC000081851118 345494526 /nfs/dbraw/zinc/49/45/26/345494526.db2.gz YNYBZOMZXBFQGN-UHFFFAOYSA-N 0 1 241.360 2.040 20 0 BEADMN O=C(CC(F)(F)F)Nc1ccc2nc[nH]c2c1 ZINC000082268673 345499251 /nfs/dbraw/zinc/49/92/51/345499251.db2.gz TVDSWQOMADCGKC-UHFFFAOYSA-N 0 1 243.188 2.454 20 0 BEADMN Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000170872357 187304325 /nfs/dbraw/zinc/30/43/25/187304325.db2.gz MMIRRQJWEAJVIB-CYBMUJFWSA-N 0 1 246.354 2.472 20 0 BEADMN C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C)N(C)C ZINC000635530954 345465171 /nfs/dbraw/zinc/46/51/71/345465171.db2.gz DDDFDHZXBGVFEK-NWDGAFQWSA-N 0 1 246.354 2.082 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2CC[C@H](C)C2)[nH]1 ZINC000182285070 323090179 /nfs/dbraw/zinc/09/01/79/323090179.db2.gz YPNICEFWGANNSR-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2CC[C@H](C)C2)n1 ZINC000182285070 323090180 /nfs/dbraw/zinc/09/01/80/323090180.db2.gz YPNICEFWGANNSR-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCCN(CCC)C(=O)CN1CCC12CCC2 ZINC000081545953 345477795 /nfs/dbraw/zinc/47/77/95/345477795.db2.gz TUAQKFBHWQOXEO-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN Cc1csc(CN[C@@H](C)COC(C)C)n1 ZINC000308894706 187307338 /nfs/dbraw/zinc/30/73/38/187307338.db2.gz YZUCQMSCSCFQTK-VIFPVBQESA-N 0 1 228.361 2.355 20 0 BEADMN C[C@H](NCCn1cnnc1C1CC1)c1ccco1 ZINC000090033817 345562975 /nfs/dbraw/zinc/56/29/75/345562975.db2.gz HMJJRVFVDGLERM-JTQLQIEISA-N 0 1 246.314 2.099 20 0 BEADMN CCCCN1CCN(c2ncccc2F)CC1 ZINC000090631755 345573742 /nfs/dbraw/zinc/57/37/42/345573742.db2.gz GVBSGIPPMDZWKO-UHFFFAOYSA-N 0 1 237.322 2.143 20 0 BEADMN CCc1ncc(CN2CCC[C@@H](OC)C2)s1 ZINC000091772224 345604903 /nfs/dbraw/zinc/60/49/03/345604903.db2.gz GSBYRKAIRIMPOA-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN Cc1nocc1NS(=O)(=O)CCC(C)(C)C ZINC000641694349 362609227 /nfs/dbraw/zinc/60/92/27/362609227.db2.gz ZWNAUORNKPASPT-UHFFFAOYSA-N 0 1 246.332 2.161 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@H]1CC=CCC1 ZINC000093323207 345651694 /nfs/dbraw/zinc/65/16/94/345651694.db2.gz POHHKUBUWNVDHL-RYUDHWBXSA-N 0 1 225.332 2.226 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H](CO)CC(F)F)o1 ZINC000336741245 178896470 /nfs/dbraw/zinc/89/64/70/178896470.db2.gz NAMOXOXVWIIREJ-DTWKUNHWSA-N 0 1 233.258 2.255 20 0 BEADMN Cc1ccc(C[N@H+]2CCN(C)CC2(C)C)o1 ZINC000093457257 345672147 /nfs/dbraw/zinc/67/21/47/345672147.db2.gz LZEFCAIUHJCWHE-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN Cc1nc(C)c(CNCc2ccncc2N)s1 ZINC000641730559 362655558 /nfs/dbraw/zinc/65/55/58/362655558.db2.gz ZWULVNXKMVWNDQ-UHFFFAOYSA-N 0 1 248.355 2.027 20 0 BEADMN Cc1ccc(SCc2nn[nH]n2)c(C)c1 ZINC000095332659 345685751 /nfs/dbraw/zinc/68/57/51/345685751.db2.gz ALOLHBYHECRXDD-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCC(C)C ZINC000145056582 345709667 /nfs/dbraw/zinc/70/96/67/345709667.db2.gz QFFDJLVKRHKGTR-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)[C@@H](C)N(C)C ZINC000635557398 345715273 /nfs/dbraw/zinc/71/52/73/345715273.db2.gz ZUJGYQPAMMCCTI-GFCCVEGCSA-N 0 1 228.380 2.077 20 0 BEADMN CC(C)C1CCN(Cc2ccn(C)n2)CC1 ZINC000200999582 345729211 /nfs/dbraw/zinc/72/92/11/345729211.db2.gz CFMDLACNZYQINC-UHFFFAOYSA-N 0 1 221.348 2.288 20 0 BEADMN CC1=CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000205024050 345732728 /nfs/dbraw/zinc/73/27/28/345732728.db2.gz HKOLRFZYJDYONJ-UHFFFAOYSA-N 0 1 240.347 2.163 20 0 BEADMN Cc1ncc(CNCCOC2CCCCC2)o1 ZINC000628209486 345807695 /nfs/dbraw/zinc/80/76/95/345807695.db2.gz HLEKXZMFDQQRGK-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN Cc1cc(CNC(=O)C2CCC=CCC2)n[nH]1 ZINC000635562759 345772123 /nfs/dbraw/zinc/77/21/23/345772123.db2.gz IDYBZPSQKGNGFG-UHFFFAOYSA-N 0 1 233.315 2.081 20 0 BEADMN O=C(C1CCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000138694544 345782909 /nfs/dbraw/zinc/78/29/09/345782909.db2.gz HVRGXMJTCUNIJT-UHFFFAOYSA-N 0 1 247.342 2.306 20 0 BEADMN CCCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000167727066 345798047 /nfs/dbraw/zinc/79/80/47/345798047.db2.gz AJQAPYFZLLCIPY-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)OC(C)(C)C ZINC000171950343 345849158 /nfs/dbraw/zinc/84/91/58/345849158.db2.gz SMMMYYJJRKJFBQ-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CN1CCC[C@H]1C(=O)NC(C)(C)c1ccccc1 ZINC000141798473 345851288 /nfs/dbraw/zinc/85/12/88/345851288.db2.gz LSLJIDTUOLVLTO-ZDUSSCGKSA-N 0 1 246.354 2.132 20 0 BEADMN CCN(CC=C(C)C)C[C@H](O)C(F)(F)F ZINC000189491127 345825943 /nfs/dbraw/zinc/82/59/43/345825943.db2.gz WCTUYDLRRLQJMJ-VIFPVBQESA-N 0 1 225.254 2.198 20 0 BEADMN CCC(CC)CC(=O)NCc1cn[nH]c1C ZINC000177669345 535010403 /nfs/dbraw/zinc/01/04/03/535010403.db2.gz ORXXGJGGTCJZBN-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)C1CCCCC1)N(C)C ZINC000635602292 345887922 /nfs/dbraw/zinc/88/79/22/345887922.db2.gz HHJDKLPKGLHSID-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC000635604746 345889365 /nfs/dbraw/zinc/88/93/65/345889365.db2.gz WUBCORXOAWKZKI-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1C ZINC000635604748 345889999 /nfs/dbraw/zinc/88/99/99/345889999.db2.gz WUBCORXOAWKZKI-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)N1CCC2(C1)CCCCC2)N(C)C ZINC000635612695 345892255 /nfs/dbraw/zinc/89/22/55/345892255.db2.gz WVTGVHVATAMQRF-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635614746 345893986 /nfs/dbraw/zinc/89/39/86/345893986.db2.gz FHJKIRMOGMZQRQ-WRWGMCAJSA-N 0 1 249.358 2.454 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@@H]1CCCCN1C ZINC000635581415 345878673 /nfs/dbraw/zinc/87/86/73/345878673.db2.gz HWKQYDLURIFKSF-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nc(C)c(CNC[C@H](O)CC(C)(C)C)o1 ZINC000628216859 345928045 /nfs/dbraw/zinc/92/80/45/345928045.db2.gz BZHRVDZQUAUXGP-LLVKDONJSA-N 0 1 240.347 2.178 20 0 BEADMN CCCCN(CC)[C@@H](C)c1nc(COC)no1 ZINC000181511352 345929488 /nfs/dbraw/zinc/92/94/88/345929488.db2.gz SUYXZCSDNLQUNN-JTQLQIEISA-N 0 1 241.335 2.399 20 0 BEADMN C[C@H](C(=O)N1C[C@H](C)[C@H]1c1ccccc1)N(C)C ZINC000635625679 345899036 /nfs/dbraw/zinc/89/90/36/345899036.db2.gz VXECUHNNQDMIGJ-SCRDCRAPSA-N 0 1 246.354 2.156 20 0 BEADMN c1nc(C2CC2)oc1CNCCOCC1CC1 ZINC000628214896 345907609 /nfs/dbraw/zinc/90/76/09/345907609.db2.gz QSBGNGNXOULEAO-UHFFFAOYSA-N 0 1 236.315 2.068 20 0 BEADMN CCCC[C@@H](CCC)NC(=O)[C@@H](C)N(C)C ZINC000635652187 345930112 /nfs/dbraw/zinc/93/01/12/345930112.db2.gz OEHJFIDBKWILHP-VXGBXAGGSA-N 0 1 228.380 2.412 20 0 BEADMN C[C@H](C(=O)N1Cc2ccccc2[C@H]1C)N(C)C ZINC000635638273 345911455 /nfs/dbraw/zinc/91/14/55/345911455.db2.gz LZLKVRZKUBLSJD-GHMZBOCLSA-N 0 1 232.327 2.040 20 0 BEADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635641759 345914541 /nfs/dbraw/zinc/91/45/41/345914541.db2.gz WRXMFZQLTGEYRO-RWMBFGLXSA-N 0 1 248.370 2.245 20 0 BEADMN COC[C@@H](C)CNCc1nnc(C(C)C)s1 ZINC000381457801 345940348 /nfs/dbraw/zinc/94/03/48/345940348.db2.gz JYWJQVLENZMRGY-VIFPVBQESA-N 0 1 243.376 2.034 20 0 BEADMN CC(C)C1(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000635662003 345944346 /nfs/dbraw/zinc/94/43/46/345944346.db2.gz MRFOYUHJWPFQLR-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](N(C)C(=O)[C@@H]1CCCCN1C)C1(C)CC1 ZINC000635662787 345946683 /nfs/dbraw/zinc/94/66/83/345946683.db2.gz ZAVMQGJZOSNMCL-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc2c(c1)[C@H](NC(=O)CN(C)C)CCC2 ZINC000179403874 178954278 /nfs/dbraw/zinc/95/42/78/178954278.db2.gz JYPNTTWWCOUOBA-CQSZACIVSA-N 0 1 246.354 2.050 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635674163 345972044 /nfs/dbraw/zinc/97/20/44/345972044.db2.gz AOMMUZFXYQVVBN-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)(CC)CNC(=O)[C@@H](C)N(C)C ZINC000635682325 345975754 /nfs/dbraw/zinc/97/57/54/345975754.db2.gz VVUPAVGYHFWARA-LLVKDONJSA-N 0 1 228.380 2.269 20 0 BEADMN C[C@H]1CC[C@@](CO)(N(C)Cc2nccs2)C1 ZINC000187943723 187313134 /nfs/dbraw/zinc/31/31/34/187313134.db2.gz WCDMVQGKQUSQFN-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1nc(CSCC(=O)c2ccccc2)n[nH]1 ZINC000601085297 346016444 /nfs/dbraw/zinc/01/64/44/346016444.db2.gz PVFBTHRRBIESID-UHFFFAOYSA-N 0 1 247.323 2.229 20 0 BEADMN CC[C@@H](N[C@@H](C)C1CCOCC1)C(F)F ZINC000449362559 201883454 /nfs/dbraw/zinc/88/34/54/201883454.db2.gz NGDSOXDZDKCPPS-WCBMZHEXSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1C(=O)[C@@H]1CCCCN1C ZINC000635815675 346071334 /nfs/dbraw/zinc/07/13/34/346071334.db2.gz FXZPKNGOTPVOQI-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN C/C=C(\CC)C(=O)Nc1c(C)n[nH]c1C ZINC000191033877 187314023 /nfs/dbraw/zinc/31/40/23/187314023.db2.gz ZRJHAAKNWHSTML-WEVVVXLNSA-N 0 1 207.277 2.321 20 0 BEADMN Cc1cc(CNCCc2csc(C)n2)on1 ZINC000390500793 346084976 /nfs/dbraw/zinc/08/49/76/346084976.db2.gz TXXVEMCDLPHAGR-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CCNc1cc(C)ccc1NC(=O)[C@@H](C)N(C)C ZINC000635845775 346089041 /nfs/dbraw/zinc/08/90/41/346089041.db2.gz NFXLQLGVYONCNK-LLVKDONJSA-N 0 1 249.358 2.315 20 0 BEADMN CC[C@@H]1CN(C2CCCC2)C[C@@H](C)[S@]1=O ZINC000586779056 346099473 /nfs/dbraw/zinc/09/94/73/346099473.db2.gz VEXUBPHBWYANSZ-IXPVHAAZSA-N 0 1 229.389 2.160 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000635892832 346104256 /nfs/dbraw/zinc/10/42/56/346104256.db2.gz DCNCLTRCAMLSTK-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@@H]1CCCCN1C ZINC000636012045 346153369 /nfs/dbraw/zinc/15/33/69/346153369.db2.gz DDBBJECHFNOEQB-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1CCCCN1C ZINC000636027325 346161327 /nfs/dbraw/zinc/16/13/27/346161327.db2.gz WURYXBNSTTVPDC-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc(C)c(CNCCOCC2CCC2)o1 ZINC000628239264 346199823 /nfs/dbraw/zinc/19/98/23/346199823.db2.gz JOUONVOILZKHJG-UHFFFAOYSA-N 0 1 238.331 2.198 20 0 BEADMN FC1(F)CCC[C@H](COCCc2c[nH]nn2)C1 ZINC000419058496 192098479 /nfs/dbraw/zinc/09/84/79/192098479.db2.gz WALAZHYJBOMVOA-VIFPVBQESA-N 0 1 245.273 2.189 20 0 BEADMN CC(C)(C)CCCOCCc1c[nH]nn1 ZINC000419059305 192098517 /nfs/dbraw/zinc/09/85/17/192098517.db2.gz XHHLLRAGPLPAPC-UHFFFAOYSA-N 0 1 211.309 2.190 20 0 BEADMN CO[C@H]1CCCN(Cc2nc(C)c(C)[nH]2)CC1 ZINC000628236802 346191421 /nfs/dbraw/zinc/19/14/21/346191421.db2.gz QFAUHGBUHGRGKI-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN FC1(F)CCCC[C@@H]1COCCc1c[nH]nn1 ZINC000419055253 192098611 /nfs/dbraw/zinc/09/86/11/192098611.db2.gz NXFWUHHYZZYSQJ-SECBINFHSA-N 0 1 245.273 2.189 20 0 BEADMN CC(C)OCCNCc1cnc(C2CC2)o1 ZINC000628238409 346195434 /nfs/dbraw/zinc/19/54/34/346195434.db2.gz XSXUTKULMYVERG-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN CCn1ccc(CN(C)CC2(F)CC2)c1 ZINC000684406871 488306301 /nfs/dbraw/zinc/30/63/01/488306301.db2.gz NMPQZAZTEXNKMS-UHFFFAOYSA-N 0 1 210.296 2.442 20 0 BEADMN Cc1cccc(C(=O)N2CCCN(C)CC2)c1C ZINC000298279475 179008257 /nfs/dbraw/zinc/00/82/57/179008257.db2.gz QDRDRSVBSZLWPR-UHFFFAOYSA-N 0 1 246.354 2.081 20 0 BEADMN CN(Cc1ccc(Cl)nn1)[C@H]1CCSC1 ZINC000167393544 346243366 /nfs/dbraw/zinc/24/33/66/346243366.db2.gz VSNXRJKZGYQJBE-VIFPVBQESA-N 0 1 243.763 2.067 20 0 BEADMN Cc1cccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)c1 ZINC000155050563 179013525 /nfs/dbraw/zinc/01/35/25/179013525.db2.gz AGRNUNJLQYRWPR-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN FCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531713900 323112062 /nfs/dbraw/zinc/11/20/62/323112062.db2.gz CRQZHYXWNSMTKH-SECBINFHSA-N 0 1 243.244 2.389 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1ccncc1N ZINC000641745225 362666935 /nfs/dbraw/zinc/66/69/35/362666935.db2.gz XNVKVBPSUBVPNS-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN C/C=C/C[C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000626161665 346268597 /nfs/dbraw/zinc/26/85/97/346268597.db2.gz HJSDSURTZWPTQQ-KXMPLOMGSA-N 0 1 211.305 2.139 20 0 BEADMN C/C=C/C[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000626162996 346274444 /nfs/dbraw/zinc/27/44/44/346274444.db2.gz CGGVOQIJYFORFB-JDGPPOGSSA-N 0 1 246.358 2.067 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H](C)C1 ZINC000636056982 346303731 /nfs/dbraw/zinc/30/37/31/346303731.db2.gz FQMDKCRMKUSVRZ-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CN1CCN(c2nc3ccccc3o2)CC1(C)C ZINC000631333926 346289714 /nfs/dbraw/zinc/28/97/14/346289714.db2.gz AKWOUMAJLFIYDN-UHFFFAOYSA-N 0 1 245.326 2.358 20 0 BEADMN Cc1cccc(C)c1C(=O)N1CCNC(C)(C)C1 ZINC000235775844 179030006 /nfs/dbraw/zinc/03/00/06/179030006.db2.gz GUAHJNOMHWDAJK-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN Cc1ccccc1C1(NC(=O)[C@@H](C)N(C)C)CC1 ZINC000636063952 346307746 /nfs/dbraw/zinc/30/77/46/346307746.db2.gz WLTRZTDZZQCWIM-GFCCVEGCSA-N 0 1 246.354 2.050 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC000636068514 346309607 /nfs/dbraw/zinc/30/96/07/346309607.db2.gz IZEAQAAZWZQKBR-LBPRGKRZSA-N 0 1 247.342 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1CC2(CCC2)C1 ZINC000636070444 346311097 /nfs/dbraw/zinc/31/10/97/346311097.db2.gz NNAYVXBPZTWGQY-UHFFFAOYSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1=CC[C@@H](C)CC1 ZINC000636071043 346311605 /nfs/dbraw/zinc/31/16/05/346311605.db2.gz YVOLBECOWCOUGI-SNVBAGLBSA-N 0 1 247.342 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000636070882 346311668 /nfs/dbraw/zinc/31/16/68/346311668.db2.gz VBZMUWYXTISECL-QWHCGFSZSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccsc1C ZINC000636070979 346312220 /nfs/dbraw/zinc/31/22/20/346312220.db2.gz XBEYFOTVGQDMJW-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1ccsc1C(=O)N(C)Cc1cn[nH]c1C ZINC000636074616 346313274 /nfs/dbraw/zinc/31/32/74/346313274.db2.gz LHMCZDGVMHSWPS-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CSc1ccc(CNCC2=CCCOC2)o1 ZINC000641755263 362683448 /nfs/dbraw/zinc/68/34/48/362683448.db2.gz XBBNRFKVUNUIHJ-UHFFFAOYSA-N 0 1 239.340 2.438 20 0 BEADMN C[C@H](C(=O)NCC[C@@H]1CCCC1(C)C)N(C)C ZINC000636250167 346367908 /nfs/dbraw/zinc/36/79/08/346367908.db2.gz ISOSFUCPMQOEFC-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@](C)(NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000636204182 346352115 /nfs/dbraw/zinc/35/21/15/346352115.db2.gz JXXTUFVSEIAOIS-JSGCOSHPSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)CC(NCc2ncccc2F)C1 ZINC000380316686 346366341 /nfs/dbraw/zinc/36/63/41/346366341.db2.gz JCHPLZUTNNXEQP-UHFFFAOYSA-N 0 1 208.280 2.499 20 0 BEADMN CCCN(Cc1ncc(C)cn1)C(C)C ZINC000563365997 323121243 /nfs/dbraw/zinc/12/12/43/323121243.db2.gz HIRFIFHWBCGWFD-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN CCC(NC(=O)[C@@H](C)N(C)C)(C1CC1)C1CC1 ZINC000636255784 346370781 /nfs/dbraw/zinc/37/07/81/346370781.db2.gz ODIYQGJRRSWUCY-SNVBAGLBSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cn(C)nn2)CC1 ZINC000336332055 187367797 /nfs/dbraw/zinc/36/77/97/187367797.db2.gz MTTXXCUDUYWSOK-GFCCVEGCSA-N 0 1 236.363 2.073 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC000336332055 187367798 /nfs/dbraw/zinc/36/77/98/187367798.db2.gz MTTXXCUDUYWSOK-GFCCVEGCSA-N 0 1 236.363 2.073 20 0 BEADMN C(N[C@H]1CCC12CCC2)c1nnc2n1CCCC2 ZINC000336237803 187366921 /nfs/dbraw/zinc/36/69/21/187366921.db2.gz YKEBELJADFWIHG-NSHDSACASA-N 0 1 246.358 2.037 20 0 BEADMN Cc1cccc(C[N@H+](C)C(C)(C)C(=O)[O-])c1 ZINC000042435956 179062958 /nfs/dbraw/zinc/06/29/58/179062958.db2.gz NPKNCQLKCFJXJQ-UHFFFAOYSA-N 0 1 221.300 2.290 20 0 BEADMN CCc1nc(CN[C@@H](C)c2ccsc2)n[nH]1 ZINC000282449333 346404305 /nfs/dbraw/zinc/40/43/05/346404305.db2.gz IQXQUKUKYOFQBN-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN Cc1cccc(CN(C)CCn2cccn2)c1F ZINC000294699306 179066283 /nfs/dbraw/zinc/06/62/83/179066283.db2.gz FAYXCXSRGQPYQL-UHFFFAOYSA-N 0 1 247.317 2.463 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000641792141 362726090 /nfs/dbraw/zinc/72/60/90/362726090.db2.gz OSTPHFAHJHJZPV-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000641792141 362726094 /nfs/dbraw/zinc/72/60/94/362726094.db2.gz OSTPHFAHJHJZPV-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN COCC[C@@H]1CCC[C@@H]1N[C@@H](C)C(F)F ZINC000641792599 362727830 /nfs/dbraw/zinc/72/78/30/362727830.db2.gz XPFLMEGHMDPIGQ-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN CO[C@H]1C[C@H]2C[C@H](N[C@H](C)C(F)F)C[C@H]2C1 ZINC000641792849 362728727 /nfs/dbraw/zinc/72/87/27/362728727.db2.gz ZDARZHXTJJAYAZ-UVOCVTCTSA-N 0 1 233.302 2.433 20 0 BEADMN CC[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300225691 346422244 /nfs/dbraw/zinc/42/22/44/346422244.db2.gz UJBUMIAKGDHEGY-CMPLNLGQSA-N 0 1 213.321 2.218 20 0 BEADMN CCCCCN(CC(N)=O)Cc1cccc(C)c1 ZINC000193473753 346428374 /nfs/dbraw/zinc/42/83/74/346428374.db2.gz RPDAHLWCHYWMRP-UHFFFAOYSA-N 0 1 248.370 2.473 20 0 BEADMN Cc1cccc(CN2CCC[C@@](F)(CO)C2)c1 ZINC000286954026 179076725 /nfs/dbraw/zinc/07/67/25/179076725.db2.gz OMYCCDRISQNMLA-AWEZNQCLSA-N 0 1 237.318 2.291 20 0 BEADMN COCC(C)(C)NCc1nc2ccccc2o1 ZINC000171203784 346437730 /nfs/dbraw/zinc/43/77/30/346437730.db2.gz QCMKYBWEURIIQN-UHFFFAOYSA-N 0 1 234.299 2.342 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000641794815 362738463 /nfs/dbraw/zinc/73/84/63/362738463.db2.gz QJDFLBRPVPUDPH-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000641794815 362738466 /nfs/dbraw/zinc/73/84/66/362738466.db2.gz QJDFLBRPVPUDPH-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1cccc(CNCc2ccnn2C)c1C ZINC000070141159 179094861 /nfs/dbraw/zinc/09/48/61/179094861.db2.gz MSODGOYGCDQJBV-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000352607329 187369538 /nfs/dbraw/zinc/36/95/38/187369538.db2.gz SDFIWGLQFXYGMQ-UHFFFAOYSA-N 0 1 243.291 2.390 20 0 BEADMN CC/C=C\CCN1CCN(Cc2ccon2)CC1 ZINC000342184028 346556906 /nfs/dbraw/zinc/55/69/06/346556906.db2.gz FXWTWDRVKKZXKB-ARJAWSKDSA-N 0 1 249.358 2.149 20 0 BEADMN C[C@@H]1CCN(CCc2ccccn2)C[C@@H]1F ZINC000679227979 488322424 /nfs/dbraw/zinc/32/24/24/488322424.db2.gz UMHIZVSQCMODPY-YPMHNXCESA-N 0 1 222.307 2.304 20 0 BEADMN CC[C@@H](N[C@@H](C)C(=O)NC)c1ccccc1F ZINC000163473501 346561988 /nfs/dbraw/zinc/56/19/88/346561988.db2.gz VUAISPMJVGRFIS-JOYOIKCWSA-N 0 1 238.306 2.001 20 0 BEADMN c1cc2c(cc1SCc1nn[nH]n1)CCCC2 ZINC000580181772 346618775 /nfs/dbraw/zinc/61/87/75/346618775.db2.gz STCBIUBWEWUQDV-UHFFFAOYSA-N 0 1 246.339 2.371 20 0 BEADMN Cc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000336351632 179127592 /nfs/dbraw/zinc/12/75/92/179127592.db2.gz VDLVADCMFQLJEN-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN CCc1nc(CNC[C@](C)(O)C(C)C)cs1 ZINC000304060420 346646533 /nfs/dbraw/zinc/64/65/33/346646533.db2.gz OONNDDFFKLLZEQ-LBPRGKRZSA-N 0 1 242.388 2.202 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000165289686 346646556 /nfs/dbraw/zinc/64/65/56/346646556.db2.gz LQSUJTYSBMGIME-ZDUSSCGKSA-N 0 1 233.311 2.168 20 0 BEADMN CCc1nnc(CN2CCCC[C@@H](C)C2)o1 ZINC000187924255 346649062 /nfs/dbraw/zinc/64/90/62/346649062.db2.gz LYZWWUWWXCIAGM-SNVBAGLBSA-N 0 1 223.320 2.254 20 0 BEADMN O=C(Nc1cnn(-c2ccncc2)c1)C1CCC1 ZINC000589076013 346663283 /nfs/dbraw/zinc/66/32/83/346663283.db2.gz JMWHMVMPKJSMAO-UHFFFAOYSA-N 0 1 242.282 2.006 20 0 BEADMN COC[C@]1(C)CN(Cc2cccc(C)c2)CCO1 ZINC000626170509 346675394 /nfs/dbraw/zinc/67/53/94/346675394.db2.gz ILKWSGGBMMZQIE-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN COC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2)CCO1 ZINC000626171738 346704724 /nfs/dbraw/zinc/70/47/24/346704724.db2.gz IPRATGILPNYMOB-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@@]1(C)CN([C@@H](C)c2ccccc2)CCO1 ZINC000626171738 346704725 /nfs/dbraw/zinc/70/47/25/346704725.db2.gz IPRATGILPNYMOB-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1ccnc(CN(C)[C@@H](C)C2CC2)n1 ZINC000580219325 346712654 /nfs/dbraw/zinc/71/26/54/346712654.db2.gz HGDZOCKERPXGEQ-JTQLQIEISA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccnc(CN(C)[C@H](C)C2CC2)n1 ZINC000580219326 346712703 /nfs/dbraw/zinc/71/27/03/346712703.db2.gz HGDZOCKERPXGEQ-SNVBAGLBSA-N 0 1 205.305 2.015 20 0 BEADMN COc1cc(CNCc2cc(C)n[nH]2)ccc1C ZINC000589646472 346722011 /nfs/dbraw/zinc/72/20/11/346722011.db2.gz YIUYUSXJLKAHLK-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN Cc1ncncc1[C@H](C)NCc1cccnc1 ZINC000580212415 346687868 /nfs/dbraw/zinc/68/78/68/346687868.db2.gz KZCHWSAHESEKOM-JTQLQIEISA-N 0 1 228.299 2.031 20 0 BEADMN CC[C@@H](NC(=O)CN(C)C)C1CCCCC1 ZINC000589337018 346692470 /nfs/dbraw/zinc/69/24/70/346692470.db2.gz ZWMYIJRUMVMXFL-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCC(CC)CN1CC[S@](=O)CC1(C)C ZINC000589820535 346738873 /nfs/dbraw/zinc/73/88/73/346738873.db2.gz KLKBVOCTOOTWJY-HNNXBMFYSA-N 0 1 231.405 2.266 20 0 BEADMN Cc1csc(CNCc2cnccn2)c1 ZINC000379073488 347111412 /nfs/dbraw/zinc/11/14/12/347111412.db2.gz VDFRNTBHSCGSTM-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1(C)C ZINC000345366081 365865743 /nfs/dbraw/zinc/86/57/43/365865743.db2.gz YTOUHMZPTDWPBM-WHOHXGKFSA-N 0 1 249.358 2.292 20 0 BEADMN Cc1cccc(OC[C@@H](C)NCc2ncc[nH]2)c1 ZINC000067694093 179170673 /nfs/dbraw/zinc/17/06/73/179170673.db2.gz LGYPUOFGRVPYGI-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN C[C@H]1CC[C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1 ZINC000582069769 347166715 /nfs/dbraw/zinc/16/67/15/347166715.db2.gz SEMWPHMDXHKODV-CYDGBPFRSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nc(CN(C)c2ccccc2)n[nH]1 ZINC000185166527 347192563 /nfs/dbraw/zinc/19/25/63/347192563.db2.gz VJAJZIUJIKQXQU-UHFFFAOYSA-N 0 1 216.288 2.004 20 0 BEADMN CC1(C)C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184633841 347171230 /nfs/dbraw/zinc/17/12/30/347171230.db2.gz FYCZZPINGYANQI-MRVPVSSYSA-N 0 1 234.303 2.057 20 0 BEADMN CC1(C)C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184633841 347171231 /nfs/dbraw/zinc/17/12/31/347171231.db2.gz FYCZZPINGYANQI-MRVPVSSYSA-N 0 1 234.303 2.057 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1cnc(C2CC2)o1 ZINC000628296418 347244128 /nfs/dbraw/zinc/24/41/28/347244128.db2.gz KQAWJAFBBXCIKF-LBPRGKRZSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1ncc(CNc2cc3c(cn2)CCC3)o1 ZINC000628296512 347244641 /nfs/dbraw/zinc/24/46/41/347244641.db2.gz OBWBEANQASEAAC-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN CCC(F)(F)CN[C@H](C)[C@H]1CCCOC1 ZINC000624149056 347285149 /nfs/dbraw/zinc/28/51/49/347285149.db2.gz VHXQEWABHDUARC-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1C2CCC1CC2 ZINC000641906688 362800948 /nfs/dbraw/zinc/80/09/48/362800948.db2.gz BYGFDQXIMZHLDA-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1cnc(C)o1)OC ZINC000628297729 347258984 /nfs/dbraw/zinc/25/89/84/347258984.db2.gz JSKWPUDUWXHHJR-JOYOIKCWSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1nc(C)c(C[N@H+]2CC[C@H]2C2CC2)o1 ZINC000628297875 347262315 /nfs/dbraw/zinc/26/23/15/347262315.db2.gz ONUAZCVWVJHTPH-NSHDSACASA-N 0 1 206.289 2.276 20 0 BEADMN Fc1ccccc1OCCN1CC=CCC1 ZINC000679324543 488338132 /nfs/dbraw/zinc/33/81/32/488338132.db2.gz WFRPFLXROUFQIX-UHFFFAOYSA-N 0 1 221.275 2.466 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cc(C(C)=O)no1 ZINC000571341025 323142057 /nfs/dbraw/zinc/14/20/57/323142057.db2.gz WUJXCJARHQFIPE-NOZJJQNGSA-N 0 1 236.315 2.498 20 0 BEADMN CO[C@H]([C@@H](C)NCc1cscn1)C1CC1 ZINC000388272111 347281716 /nfs/dbraw/zinc/28/17/16/347281716.db2.gz HMLCTPNKVKRURX-LDYMZIIASA-N 0 1 226.345 2.046 20 0 BEADMN C[C@@H]1CC=C(C(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000627373159 347335097 /nfs/dbraw/zinc/33/50/97/347335097.db2.gz JFVZODXKRDQKKE-SNVBAGLBSA-N 0 1 245.326 2.041 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN1CCS(=O)CC1 ZINC000191065839 347341705 /nfs/dbraw/zinc/34/17/05/347341705.db2.gz XVOGYCKVDDKOQX-QWHCGFSZSA-N 0 1 241.400 2.043 20 0 BEADMN Cc1c[nH]c(C[N@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000149551995 347318545 /nfs/dbraw/zinc/31/85/45/347318545.db2.gz ULEXZGMYVABRPK-GHMZBOCLSA-N 0 1 205.305 2.093 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C2CCC1CC2 ZINC000641969477 362814786 /nfs/dbraw/zinc/81/47/86/362814786.db2.gz KOGQFCGZUPNPTK-UHFFFAOYSA-N 0 1 231.299 2.054 20 0 BEADMN COC[C@H](C)N(C)Cc1ccccc1F ZINC000193891054 347407873 /nfs/dbraw/zinc/40/78/73/347407873.db2.gz XXRCBQZVTWGLKW-JTQLQIEISA-N 0 1 211.280 2.292 20 0 BEADMN C[C@@H](NCc1cnn(C)c1)c1cccs1 ZINC000020148554 347412985 /nfs/dbraw/zinc/41/29/85/347412985.db2.gz NYEHOAJJEOZUJQ-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627373474 347373759 /nfs/dbraw/zinc/37/37/59/347373759.db2.gz SIGWDTXVEHAUNH-QMTHXVAHSA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@H]1CN(CCc2ccccc2)CCO1 ZINC000192807020 347384508 /nfs/dbraw/zinc/38/45/08/347384508.db2.gz UGRHGLRYGPGVQP-AWEZNQCLSA-N 0 1 219.328 2.340 20 0 BEADMN C[C@@H]1CC=C(C(=O)N(C)Cc2cnc[nH]2)CC1 ZINC000616921784 347451322 /nfs/dbraw/zinc/45/13/22/347451322.db2.gz CCMKTHFVZNGKKM-SNVBAGLBSA-N 0 1 233.315 2.115 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1CCC2(CC2)CC1 ZINC000616922157 347452258 /nfs/dbraw/zinc/45/22/58/347452258.db2.gz RDANJLYQDAFRHL-UHFFFAOYSA-N 0 1 247.342 2.339 20 0 BEADMN CCC[C@H](C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616924703 347456076 /nfs/dbraw/zinc/45/60/76/347456076.db2.gz SWDDNTGUMVCAKE-JTQLQIEISA-N 0 1 223.320 2.194 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000020253447 347437644 /nfs/dbraw/zinc/43/76/44/347437644.db2.gz JDIIYBYJQOHYNH-KWQFWETISA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616925597 347457434 /nfs/dbraw/zinc/45/74/34/347457434.db2.gz LABNVZPSQLGYGG-MNOVXSKESA-N 0 1 235.331 2.194 20 0 BEADMN Cc1ccccc1-n1cc(CNC2CCC2)nn1 ZINC000289669825 179241063 /nfs/dbraw/zinc/24/10/63/179241063.db2.gz IWCXSPQFDRNRSU-UHFFFAOYSA-N 0 1 242.326 2.218 20 0 BEADMN Cc1ccccc1-n1nccc1CNCCF ZINC000280821732 179242069 /nfs/dbraw/zinc/24/20/69/179242069.db2.gz VKTYATSIZIGVEF-UHFFFAOYSA-N 0 1 233.290 2.240 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)N(C)Cc2cnc[nH]2)C[C@H]1C ZINC000616928731 347494809 /nfs/dbraw/zinc/49/48/09/347494809.db2.gz KCAPNHPHXPHOOH-UTUOFQBUSA-N 0 1 249.358 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)C(C)(C)C ZINC000616929074 347496117 /nfs/dbraw/zinc/49/61/17/347496117.db2.gz SAEMREVUHMGILJ-UHFFFAOYSA-N 0 1 237.347 2.440 20 0 BEADMN C[C@H]1CC[C@@H](CC(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616926746 347459851 /nfs/dbraw/zinc/45/98/51/347459851.db2.gz OCTMTYYPZCTAHS-WDEREUQCSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000336387640 179247655 /nfs/dbraw/zinc/24/76/55/179247655.db2.gz LMPHCBNOMDMNHV-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)CC1(C)C ZINC000270862344 179247016 /nfs/dbraw/zinc/24/70/16/179247016.db2.gz ABDJARSZYHCGLA-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN Cc1ccccc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155216489 179248676 /nfs/dbraw/zinc/24/86/76/179248676.db2.gz JAIYCKYMXGRQSW-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN c1ccc(CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000196768759 347519658 /nfs/dbraw/zinc/51/96/58/347519658.db2.gz AIWLJGGPFLOJQL-OKILXGFUSA-N 0 1 217.312 2.092 20 0 BEADMN C=Cn1cc(CNCc2ccc(O)c(F)c2)cn1 ZINC000194326673 347531461 /nfs/dbraw/zinc/53/14/61/347531461.db2.gz KDKXUJZGZATSAR-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C2CC2)n1C1CC1 ZINC000590787549 347557081 /nfs/dbraw/zinc/55/70/81/347557081.db2.gz ADXAZLVMBVROEX-ZDUSSCGKSA-N 0 1 246.358 2.296 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CCC[C@H]1C1CC1 ZINC000590819141 347568751 /nfs/dbraw/zinc/56/87/51/347568751.db2.gz ZWLHFNMZWGSRGL-NSHDSACASA-N 0 1 233.315 2.321 20 0 BEADMN CCC1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000617011725 347581704 /nfs/dbraw/zinc/58/17/04/347581704.db2.gz LAXWXZSRYHLNMY-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccccc1CCC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000178901287 179261150 /nfs/dbraw/zinc/26/11/50/179261150.db2.gz WMAOWCDEKZCBNQ-AWEZNQCLSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1ccccc1CCN(C)Cc1cc[nH]n1 ZINC000295162696 179263295 /nfs/dbraw/zinc/26/32/95/179263295.db2.gz SJOOZPWBVFCJFR-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000616975357 347546526 /nfs/dbraw/zinc/54/65/26/347546526.db2.gz BOCXQGUHVJGTDN-MNOVXSKESA-N 0 1 249.358 2.162 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@@H](C)CC(=O)[O-] ZINC000042436066 179270193 /nfs/dbraw/zinc/27/01/93/179270193.db2.gz KYVCYOZIYJTMKX-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000679557542 488358028 /nfs/dbraw/zinc/35/80/28/488358028.db2.gz QSHLTCRWZHIHSQ-SCZZXKLOSA-N 0 1 223.320 2.017 20 0 BEADMN Cc1ccccc1CCNCc1cocn1 ZINC000192280612 179266149 /nfs/dbraw/zinc/26/61/49/179266149.db2.gz NQEQMYXAMKDZSS-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062067 347612535 /nfs/dbraw/zinc/61/25/35/347612535.db2.gz UJHWDDVIYBBFCQ-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccccc1CN1CCC[C@@]12CCOC2=O ZINC000186625447 179274759 /nfs/dbraw/zinc/27/47/59/179274759.db2.gz NRYDDDDOFHPFRU-HNNXBMFYSA-N 0 1 245.322 2.277 20 0 BEADMN CCC[N@@H+](C)CC(=O)NCc1cc(C)cc(C)c1 ZINC000618161025 347766188 /nfs/dbraw/zinc/76/61/88/347766188.db2.gz ZTHYZNCOYROXFI-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CC[C@H]1CN(C[C@@H](CC(C)C)OC)CCO1 ZINC000419190161 192108726 /nfs/dbraw/zinc/10/87/26/192108726.db2.gz QKBYKGPXXDIONJ-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1ccccc1CNCc1ccc(CO)o1 ZINC000081555316 179281918 /nfs/dbraw/zinc/28/19/18/179281918.db2.gz MTDPMWDASJRHAJ-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN CCN(CCSC)[C@@H](CC(C)C)C(=O)OC ZINC000592201088 347752735 /nfs/dbraw/zinc/75/27/35/347752735.db2.gz AUUYWPUJQPUCGS-NSHDSACASA-N 0 1 247.404 2.259 20 0 BEADMN CCN(CCSC)Cc1cncc(OC)c1 ZINC000592203040 347754849 /nfs/dbraw/zinc/75/48/49/347754849.db2.gz WVTKAWNZBYEWFW-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(CC)CCSC ZINC000592204900 347757016 /nfs/dbraw/zinc/75/70/16/347757016.db2.gz WPCTULKKDDAVDP-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN Cc1ccccc1Cc1nc([C@H]2CCCN2)no1 ZINC000071396555 179293400 /nfs/dbraw/zinc/29/34/00/179293400.db2.gz ZPDHHAPKRRIWGL-GFCCVEGCSA-N 0 1 243.310 2.393 20 0 BEADMN CC[N@@H+](C)CCNC(=O)Nc1cccc(C)c1 ZINC000049337625 323159806 /nfs/dbraw/zinc/15/98/06/323159806.db2.gz WSYYNNBDNLYEJR-UHFFFAOYSA-N 0 1 235.331 2.068 20 0 BEADMN Cc1ccccc1NC(=O)[C@@H]1CCCN1C ZINC000082320771 179302411 /nfs/dbraw/zinc/30/24/11/179302411.db2.gz NQERAKJHQONSKV-LBPRGKRZSA-N 0 1 218.300 2.028 20 0 BEADMN CCSCCN1C[C@H](CC)OC[C@H]1C ZINC000593064730 347849330 /nfs/dbraw/zinc/84/93/30/347849330.db2.gz VPNFXCKNXIUPEX-MNOVXSKESA-N 0 1 217.378 2.239 20 0 BEADMN Cc1nocc1CNCCOc1ccccc1C ZINC000293578580 179310349 /nfs/dbraw/zinc/31/03/49/179310349.db2.gz NNJLXDSBGXIGML-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN COC(=O)c1ccc(CN2CCC23CCCC3)[nH]1 ZINC000593647008 347926118 /nfs/dbraw/zinc/92/61/18/347926118.db2.gz VCKLOOVKGHFOFW-UHFFFAOYSA-N 0 1 248.326 2.320 20 0 BEADMN Cc1cccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1C ZINC000593689823 347928446 /nfs/dbraw/zinc/92/84/46/347928446.db2.gz WHVOSRURSXKJKR-GRDNDAEWSA-N 0 1 249.379 2.009 20 0 BEADMN Cc1ccccc1[C@@H](C)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338381907 179317431 /nfs/dbraw/zinc/31/74/31/179317431.db2.gz LLOMQLHQKPZXGK-MCIONIFRSA-N 0 1 247.338 2.156 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000082717638 179318170 /nfs/dbraw/zinc/31/81/70/179318170.db2.gz OFOMJFOYZHNNQO-LLVKDONJSA-N 0 1 221.300 2.463 20 0 BEADMN Cc1cc(CNC(=O)C[C@H](C)CC(C)C)n[nH]1 ZINC000603486536 349978944 /nfs/dbraw/zinc/97/89/44/349978944.db2.gz RDORTPJEWNWBOW-SNVBAGLBSA-N 0 1 237.347 2.407 20 0 BEADMN Cc1ccccc1[C@@H]1CN(C[C@H](C)O)[C@H](C)CO1 ZINC000249609737 179330771 /nfs/dbraw/zinc/33/07/71/179330771.db2.gz RXBJPDNUROMTED-IPYPFGDCSA-N 0 1 249.354 2.138 20 0 BEADMN CC(C)n1cncc1CN1CC[C@H]1C1CC1 ZINC000425370649 323173892 /nfs/dbraw/zinc/17/38/92/323173892.db2.gz OULNNFKXXAIPMZ-ZDUSSCGKSA-N 0 1 219.332 2.448 20 0 BEADMN CCN(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000037023190 348016255 /nfs/dbraw/zinc/01/62/55/348016255.db2.gz NELZJXYCXRXLET-UHFFFAOYSA-N 0 1 213.664 2.138 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)Cc1nnc[nH]1 ZINC000178490659 179334268 /nfs/dbraw/zinc/33/42/68/179334268.db2.gz LRLJVWYGZBYVHF-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN CS[C@H](C)CNCc1cc2n(n1)CCCC2 ZINC000594505593 348064747 /nfs/dbraw/zinc/06/47/47/348064747.db2.gz VKLPBZFEEYPNLF-SNVBAGLBSA-N 0 1 239.388 2.061 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(F)c(C)c2)n[nH]1 ZINC000603488074 349980517 /nfs/dbraw/zinc/98/05/17/349980517.db2.gz HBZLUHOCSUEZQC-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC1CCCC1 ZINC000296346901 179342688 /nfs/dbraw/zinc/34/26/88/179342688.db2.gz IUQGUMBGCBIWBR-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC[C@H]1C ZINC000294949394 179342891 /nfs/dbraw/zinc/34/28/91/179342891.db2.gz FHPUGKVZDZUAKK-YPMHNXCESA-N 0 1 232.327 2.006 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H](C)C(C)C ZINC000294787271 179343443 /nfs/dbraw/zinc/34/34/43/179343443.db2.gz OEGUQEKXXZXFMI-YPMHNXCESA-N 0 1 234.343 2.156 20 0 BEADMN COC(=O)CCCOc1ccnc2c1CCCC2 ZINC000594493213 348062442 /nfs/dbraw/zinc/06/24/42/348062442.db2.gz HLQVLFBOHJAYDY-UHFFFAOYSA-N 0 1 249.310 2.292 20 0 BEADMN CCC1CN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000594606267 348081473 /nfs/dbraw/zinc/08/14/73/348081473.db2.gz JCWOYBJHMOKSDT-UHFFFAOYSA-N 0 1 237.299 2.216 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(C[C@@H]1C[C@H]1C)C2 ZINC000617099105 348085332 /nfs/dbraw/zinc/08/53/32/348085332.db2.gz UFRLKDQWGQIEQX-MFKMUULPSA-N 0 1 245.322 2.445 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)C(CC)CC)n[nH]1 ZINC000594665217 348094543 /nfs/dbraw/zinc/09/45/43/348094543.db2.gz URFXMQPKAFUDFZ-PWJLMRLQSA-N 0 1 243.376 2.365 20 0 BEADMN Cc1cc(CNc2cnc3ccccc3n2)n[nH]1 ZINC000603494921 349982244 /nfs/dbraw/zinc/98/22/44/349982244.db2.gz VXHYDUKTVROCFQ-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCc1cc(CN[C@@H](C)CSCCF)on1 ZINC000595029348 348174140 /nfs/dbraw/zinc/17/41/40/348174140.db2.gz XDEIVUCHJQWTFY-VIFPVBQESA-N 0 1 246.351 2.418 20 0 BEADMN Cc1cc(CNc2ncnc3sccc32)n[nH]1 ZINC000603494895 349982970 /nfs/dbraw/zinc/98/29/70/349982970.db2.gz ULQVMCAPKWOWGY-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@@H](C)[C@@H](C)O1 ZINC000446069251 348201243 /nfs/dbraw/zinc/20/12/43/348201243.db2.gz DZXXIGDBJWZOHY-XQHKEYJVSA-N 0 1 241.375 2.442 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CCC1CCC1 ZINC000595346172 348235170 /nfs/dbraw/zinc/23/51/70/348235170.db2.gz GIXXXPWHVYKUIY-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](NCc1nccc(OC)n1)[C@@H]1CC1(C)C ZINC000419312215 192120118 /nfs/dbraw/zinc/12/01/18/192120118.db2.gz JRCYXYPXMOGAHG-WDEREUQCSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@]1(C)CN(CCOCC2CCC2)CCO1 ZINC000419262423 192116330 /nfs/dbraw/zinc/11/63/30/192116330.db2.gz VWRFJEDMUZFGOH-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)[C@@H](C)[C@H](C)O1 ZINC000419259619 192116376 /nfs/dbraw/zinc/11/63/76/192116376.db2.gz PAKGAYOEPLZBTN-AGIUHOORSA-N 0 1 241.375 2.301 20 0 BEADMN CCC[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000642198818 362910955 /nfs/dbraw/zinc/91/09/55/362910955.db2.gz DCKQBJHNDOBIGI-SECBINFHSA-N 0 1 235.331 2.207 20 0 BEADMN CCC[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000642198819 362911091 /nfs/dbraw/zinc/91/10/91/362911091.db2.gz DCKQBJHNDOBIGI-VIFPVBQESA-N 0 1 235.331 2.207 20 0 BEADMN CC/C=C(/F)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001639427425 1172104773 /nfs/dbraw/zinc/10/47/73/1172104773.db2.gz IKCBNGFUVAXUCF-BJMVGYQFSA-N 0 1 239.294 2.413 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419336136 192124425 /nfs/dbraw/zinc/12/44/25/192124425.db2.gz IKELYLLKDXMZCT-QJPTWQEYSA-N 0 1 236.363 2.164 20 0 BEADMN CCSCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000595885987 348389315 /nfs/dbraw/zinc/38/93/15/348389315.db2.gz KSJFPBIMGDOCLN-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)C[C@H]1CC1(C)C ZINC000595911997 348398782 /nfs/dbraw/zinc/39/87/82/348398782.db2.gz IEERYHVJSMLZPS-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CS[C@@H](C)C2)n1 ZINC000397840890 362922715 /nfs/dbraw/zinc/92/27/15/362922715.db2.gz BWUINUCLPRVIQX-JQWIXIFHSA-N 0 1 239.388 2.448 20 0 BEADMN Cc1[nH]ncc1CNC(=O)NCCC1=CCCC1 ZINC000273161568 538004797 /nfs/dbraw/zinc/00/47/97/538004797.db2.gz BNLIMNKLXZLWMV-UHFFFAOYSA-N 0 1 248.330 2.018 20 0 BEADMN Cc1ccncc1CN1CC2(C1)CCOCC2 ZINC000335155745 179483536 /nfs/dbraw/zinc/48/35/36/179483536.db2.gz QZDYCDPABZUOGL-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CSCC1(CCNc2nc(C)ns2)CC1 ZINC000596418696 348541317 /nfs/dbraw/zinc/54/13/17/348541317.db2.gz GLAAFTXXCTYSFT-UHFFFAOYSA-N 0 1 243.401 2.214 20 0 BEADMN CN(CC(=O)Nc1cccc(F)c1)C(C)(C)C ZINC000563081496 348598677 /nfs/dbraw/zinc/59/86/77/348598677.db2.gz OEDRKRQMUPHLFC-UHFFFAOYSA-N 0 1 238.306 2.495 20 0 BEADMN Cc1cn2c(n1)CN(CCCCCF)CC2 ZINC000367462517 179563917 /nfs/dbraw/zinc/56/39/17/179563917.db2.gz GGXLTAFCXAMTGM-UHFFFAOYSA-N 0 1 225.311 2.147 20 0 BEADMN CO[C@@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000069847825 490188431 /nfs/dbraw/zinc/18/84/31/490188431.db2.gz YZHUFJVHNQCVKF-CMPLNLGQSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](C)[N@@H+](CCSC(C)C)CC(=O)[O-] ZINC000308807391 348696237 /nfs/dbraw/zinc/69/62/37/348696237.db2.gz OZVWYAFBVUMISU-JTQLQIEISA-N 0 1 233.377 2.313 20 0 BEADMN CCC(=O)N1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001639470597 1172108397 /nfs/dbraw/zinc/10/83/97/1172108397.db2.gz JTFYMRVFARVYFY-NSHDSACASA-N 0 1 221.304 2.182 20 0 BEADMN CCOC(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000216315563 348910062 /nfs/dbraw/zinc/91/00/62/348910062.db2.gz PRMDOSWPEJIITI-NWDGAFQWSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1nc(CNC(CC)(CC)CO)cs1 ZINC000053070396 349047435 /nfs/dbraw/zinc/04/74/35/349047435.db2.gz FDNSBKOWGWBPLC-UHFFFAOYSA-N 0 1 242.388 2.346 20 0 BEADMN CCc1ccc(CN[C@H]2CO[C@@H](C)C2)o1 ZINC000401986528 349039674 /nfs/dbraw/zinc/03/96/74/349039674.db2.gz DCFBBTJOOUGDNH-VHSXEESVSA-N 0 1 209.289 2.109 20 0 BEADMN CCc1ccc(CN[C@@H]2CO[C@H](C)C2)o1 ZINC000401986529 349039761 /nfs/dbraw/zinc/03/97/61/349039761.db2.gz DCFBBTJOOUGDNH-ZJUUUORDSA-N 0 1 209.289 2.109 20 0 BEADMN CSCCN[C@H]1CCCc2scnc21 ZINC000599022641 349077473 /nfs/dbraw/zinc/07/74/73/349077473.db2.gz NLABCQXNVGDWIO-QMMMGPOBSA-N 0 1 228.386 2.473 20 0 BEADMN C/C=C\CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000599084890 349089876 /nfs/dbraw/zinc/08/98/76/349089876.db2.gz UGMMVXSGNFEDOP-WBSSQXGSSA-N 0 1 223.272 2.293 20 0 BEADMN COC(=O)[C@H]1CCCCN1CC1CC(C)(C)C1 ZINC000599250228 349131845 /nfs/dbraw/zinc/13/18/45/349131845.db2.gz JZRRACZTEIRLJQ-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN CCn1ncnc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000248656166 349144478 /nfs/dbraw/zinc/14/44/78/349144478.db2.gz CXTYLAJKKGYHAA-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN COC(=O)C1(N(C[C@H]2C[C@H]2C)C2CC2)CCC1 ZINC000599438366 349177044 /nfs/dbraw/zinc/17/70/44/349177044.db2.gz XPMOFJYBMHBJIG-GHMZBOCLSA-N 0 1 237.343 2.203 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251295373 349185356 /nfs/dbraw/zinc/18/53/56/349185356.db2.gz IHDUWHJFQSORRO-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)C[C@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251368958 349186791 /nfs/dbraw/zinc/18/67/91/349186791.db2.gz FRKUYHHUBNVARW-UWVGGRQHSA-N 0 1 201.310 2.074 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnn(C)c2)cc(C)n1 ZINC000421881573 192399611 /nfs/dbraw/zinc/39/96/11/192399611.db2.gz OYYKEBDHAHEANV-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC000599345257 349154066 /nfs/dbraw/zinc/15/40/66/349154066.db2.gz KNEQNSPCCKBZRY-UHFFFAOYSA-N 0 1 249.701 2.243 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000599320342 349155314 /nfs/dbraw/zinc/15/53/14/349155314.db2.gz OCIUWBKZQGBJCY-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C(C)(C)C)nn2)[C@H]1C ZINC000248916178 349157616 /nfs/dbraw/zinc/15/76/16/349157616.db2.gz ZUEFRCZRHPMRQX-MNOVXSKESA-N 0 1 236.363 2.263 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC000252755764 349209974 /nfs/dbraw/zinc/20/99/74/349209974.db2.gz JJGPPFVSLBWPNR-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN COC(=O)c1coc(CN(C2CC2)C2CC2)c1 ZINC000599593324 349222935 /nfs/dbraw/zinc/22/29/35/349222935.db2.gz CNEARQXUQBRYCZ-UHFFFAOYSA-N 0 1 235.283 2.193 20 0 BEADMN CCCN(CC(=O)OC)C[C@]1(C)CCCS1 ZINC000600106005 349288214 /nfs/dbraw/zinc/28/82/14/349288214.db2.gz GPLLNKFJOAPQDX-LBPRGKRZSA-N 0 1 245.388 2.157 20 0 BEADMN CCOC(=O)c1cccc(CN(CC)C2CC2)n1 ZINC000600108939 349288930 /nfs/dbraw/zinc/28/89/30/349288930.db2.gz DWRUUQVSPCXLMC-UHFFFAOYSA-N 0 1 248.326 2.243 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000221717681 349281844 /nfs/dbraw/zinc/28/18/44/349281844.db2.gz GNLICJASKJLLSU-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000264694959 179876396 /nfs/dbraw/zinc/87/63/96/179876396.db2.gz AVZRQIQSDCNJGA-CABZTGNLSA-N 0 1 235.331 2.369 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1F)C(C)(C)C(=O)[O-] ZINC000061171599 349364039 /nfs/dbraw/zinc/36/40/39/349364039.db2.gz PBHBOYSGMIECEQ-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN COCC(COC)N[C@H](C)c1cc(C)oc1C ZINC000395384840 323225119 /nfs/dbraw/zinc/22/51/19/323225119.db2.gz MRABGURGVYRASD-SNVBAGLBSA-N 0 1 241.331 2.208 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000300902407 349425363 /nfs/dbraw/zinc/42/53/63/349425363.db2.gz WJWNLXHDAHCXBG-TUAOUCFPSA-N 0 1 227.348 2.464 20 0 BEADMN CO[C@H](CNCc1oc(C)nc1C)CC(C)C ZINC000628313794 349429492 /nfs/dbraw/zinc/42/94/92/349429492.db2.gz AJCKZNHIHDRKTG-LBPRGKRZSA-N 0 1 240.347 2.442 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncc[nH]1)[C@H]1CCCO1 ZINC000336680560 538046668 /nfs/dbraw/zinc/04/66/68/538046668.db2.gz CTKKHVUGUDUDKO-GARJFASQSA-N 0 1 223.320 2.018 20 0 BEADMN C[C@@H]1C[N@H+](CCCCCC(=O)[O-])C[C@H](C)S1 ZINC000070596108 350026939 /nfs/dbraw/zinc/02/69/39/350026939.db2.gz IWBVUSLPTUGHAY-PHIMTYICSA-N 0 1 245.388 2.457 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])[C@H]1CCSC1 ZINC000070595965 350026994 /nfs/dbraw/zinc/02/69/94/350026994.db2.gz HEYFTZVTLCNZLM-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CCSCC[C@H](C)NCc1ccon1 ZINC000602014719 349417390 /nfs/dbraw/zinc/41/73/90/349417390.db2.gz WALBPLYPEVHFDR-VIFPVBQESA-N 0 1 214.334 2.296 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000604332992 350103766 /nfs/dbraw/zinc/10/37/66/350103766.db2.gz MFYUQIOSFJPCRO-SECBINFHSA-N 0 1 223.320 2.017 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC000604332993 350103798 /nfs/dbraw/zinc/10/37/98/350103798.db2.gz MFYUQIOSFJPCRO-VIFPVBQESA-N 0 1 223.320 2.017 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000309158515 350108904 /nfs/dbraw/zinc/10/89/04/350108904.db2.gz FGDMXMUNJSBBMP-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCCCC2(C)C)[nH]1 ZINC000192585050 180011419 /nfs/dbraw/zinc/01/14/19/180011419.db2.gz HRIDSSLDRSIGOQ-SECBINFHSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nc(NCCN2CC=CCC2)sc1C ZINC000309843834 180017281 /nfs/dbraw/zinc/01/72/81/180017281.db2.gz FRGSSPBICITGEJ-UHFFFAOYSA-N 0 1 237.372 2.434 20 0 BEADMN C[C@@H](NCc1cccnc1)c1cncs1 ZINC000131921614 191018382 /nfs/dbraw/zinc/01/83/82/191018382.db2.gz JONLDNWNUUYQHJ-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000309170105 350114965 /nfs/dbraw/zinc/11/49/65/350114965.db2.gz NGBZFFBLCRNNHP-LBPRGKRZSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H](O)C(C)C)cs1 ZINC000158859302 180049333 /nfs/dbraw/zinc/04/93/33/180049333.db2.gz WRAROSRIAOILKX-GZMMTYOYSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc2c(cccc2C(=O)N(C)C2CC2)[nH]1 ZINC000282581467 180062611 /nfs/dbraw/zinc/06/26/11/180062611.db2.gz BHJDQBKTYHNPDE-UHFFFAOYSA-N 0 1 229.283 2.106 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000304187460 350148169 /nfs/dbraw/zinc/14/81/69/350148169.db2.gz PPPNPSPJZBCSAZ-NXEZZACHSA-N 0 1 247.285 2.218 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304199085 350148772 /nfs/dbraw/zinc/14/87/72/350148772.db2.gz VVGZZQVSTQZATK-ZJUUUORDSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@H]1C[C@H](NC(C)(C)C(F)F)CCO1 ZINC000306334801 490340940 /nfs/dbraw/zinc/34/09/40/490340940.db2.gz GDLRPZFUAJAKQY-JGVFFNPUSA-N 0 1 207.264 2.187 20 0 BEADMN CCN(CCOC)Cc1scnc1C1CC1 ZINC000349005682 538056315 /nfs/dbraw/zinc/05/63/15/538056315.db2.gz KWESCXNPLGFXOX-UHFFFAOYSA-N 0 1 240.372 2.489 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1nc(C)no1 ZINC000133266192 191039479 /nfs/dbraw/zinc/03/94/79/191039479.db2.gz DPCVDHJXOMPDJG-UWVGGRQHSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H]3CC[C@@H]3C)c2[nH]1 ZINC000336379220 180099401 /nfs/dbraw/zinc/09/94/01/180099401.db2.gz WSZGIMUOHBKKRZ-KWQFWETISA-N 0 1 243.310 2.400 20 0 BEADMN Cc1ccc(F)cc1CN1CCCOCC1 ZINC000334192339 538059223 /nfs/dbraw/zinc/05/92/23/538059223.db2.gz IADGILQVCTYBIY-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncnn1C ZINC000426995121 191052065 /nfs/dbraw/zinc/05/20/65/191052065.db2.gz MWMHJKQCEWJOPM-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ncc(C(=O)N2CCC3(CCC3)CC2)[nH]1 ZINC000367444101 180124744 /nfs/dbraw/zinc/12/47/44/180124744.db2.gz YXCICMZEAULUSH-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN Cc1ncc(CN[C@H](CO)c2ccccc2)s1 ZINC000062998752 180158548 /nfs/dbraw/zinc/15/85/48/180158548.db2.gz PJMCVGAPIKUYRU-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cnn(C)c2)s1 ZINC000044500245 180158645 /nfs/dbraw/zinc/15/86/45/180158645.db2.gz WTXCTQHWKQHRNW-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN CC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000104650194 191066263 /nfs/dbraw/zinc/06/62/63/191066263.db2.gz VZDGJJSQSLIWHH-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1ncc([C@H](C)NCc2cccnc2)c(C)n1 ZINC000151084290 180173225 /nfs/dbraw/zinc/17/32/25/180173225.db2.gz GWWDINNBBXZTHH-JTQLQIEISA-N 0 1 242.326 2.339 20 0 BEADMN CCCCC[S@@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427471653 191076494 /nfs/dbraw/zinc/07/64/94/191076494.db2.gz ZKZMSGSYVYEGNL-MRXNPFEDSA-N 0 1 243.376 2.367 20 0 BEADMN CCC(CC)[S@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427473488 191077135 /nfs/dbraw/zinc/07/71/35/191077135.db2.gz WTQGDAGURZEMGF-MRXNPFEDSA-N 0 1 243.376 2.365 20 0 BEADMN CCC(CC)[S@@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427473487 191077144 /nfs/dbraw/zinc/07/71/44/191077144.db2.gz WTQGDAGURZEMGF-INIZCTEOSA-N 0 1 243.376 2.365 20 0 BEADMN CC[C@H](C)C[S@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427474114 191077475 /nfs/dbraw/zinc/07/74/75/191077475.db2.gz ZYUVZWLNCKGVDG-FVMDXXJSSA-N 0 1 243.376 2.223 20 0 BEADMN Cc1nccc(N2C[C@H](O)C(C)(C)C2)c1Cl ZINC000334207080 180194125 /nfs/dbraw/zinc/19/41/25/180194125.db2.gz JKSSASZDAMZZRU-JTQLQIEISA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(N2CC[C@@H]([C@H](C)O)C2)c1Cl ZINC000335557872 180194762 /nfs/dbraw/zinc/19/47/62/180194762.db2.gz FEYGSTQQCIPLNT-VHSXEESVSA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(NCC(F)(F)CO)c1Cl ZINC000308883645 180197509 /nfs/dbraw/zinc/19/75/09/180197509.db2.gz WFQJFMMWQXXJMC-UHFFFAOYSA-N 0 1 236.649 2.083 20 0 BEADMN Cc1nccc(NC[C@@H](C)CCO)c1Cl ZINC000308989543 180199932 /nfs/dbraw/zinc/19/99/32/180199932.db2.gz HRYJFHQCTVEFSA-QMMMGPOBSA-N 0 1 228.723 2.474 20 0 BEADMN Cc1nccc(NC[C@@H](O)C(C)C)c1Cl ZINC000309017283 180201605 /nfs/dbraw/zinc/20/16/05/180201605.db2.gz ROILQKMUZMHSRG-SNVBAGLBSA-N 0 1 228.723 2.472 20 0 BEADMN Cc1nccc(CN2C[C@H]3CCCC[C@H]32)n1 ZINC000368001824 180185332 /nfs/dbraw/zinc/18/53/32/180185332.db2.gz RFNCEUHTDLZLLT-DGCLKSJQSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1ncccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000310971531 180218912 /nfs/dbraw/zinc/21/89/12/180218912.db2.gz RHHJYPKGWMQXOJ-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335153565 180221066 /nfs/dbraw/zinc/22/10/66/180221066.db2.gz AQHKUYUDHBYDPU-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN c1ccc2oc(CNC[C@@H]3CCCO3)nc2c1 ZINC000606012598 350268274 /nfs/dbraw/zinc/26/82/74/350268274.db2.gz SLEKNSCRTNDVLJ-JTQLQIEISA-N 0 1 232.283 2.096 20 0 BEADMN CCc1nc(CNC(C)(C)C(C)(C)O)cs1 ZINC000223240352 350270728 /nfs/dbraw/zinc/27/07/28/350270728.db2.gz LPNVMDYBARRAKT-UHFFFAOYSA-N 0 1 242.388 2.345 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(F)cc(F)c1 ZINC000073153948 490423073 /nfs/dbraw/zinc/42/30/73/490423073.db2.gz VGNIZQOUDDCUSV-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCn2cccn2)on1 ZINC000049983367 350273551 /nfs/dbraw/zinc/27/35/51/350273551.db2.gz UFEALVYARDWEBA-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000038017872 350299509 /nfs/dbraw/zinc/29/95/09/350299509.db2.gz VPGXNBJJLAOLDH-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN Cc1ncsc1CCN1C[C@H](C)OC[C@@H]1C ZINC000074348806 180308420 /nfs/dbraw/zinc/30/84/20/180308420.db2.gz ZXBWIDGCVQOTNS-UWVGGRQHSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1ncsc1NC(=O)c1c[nH]nc1C1CC1 ZINC000336548528 180325754 /nfs/dbraw/zinc/32/57/54/180325754.db2.gz ZLVCIZWJBMAIRM-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN Cc1ncsc1CN1CC[C@H](n2cccn2)C1 ZINC000291366352 180318796 /nfs/dbraw/zinc/31/87/96/180318796.db2.gz YWSIMAFADAGYOI-NSHDSACASA-N 0 1 248.355 2.095 20 0 BEADMN Cc1ncsc1CNCc1ccc(O)cc1 ZINC000070836404 180321923 /nfs/dbraw/zinc/32/19/23/180321923.db2.gz HQOIGJBVXAOKEC-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1cn[nH]c1 ZINC000229881984 180321988 /nfs/dbraw/zinc/32/19/88/180321988.db2.gz STHPRNQNHILBPT-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1ccncc1CNCc1cnccc1C ZINC000162698849 350416882 /nfs/dbraw/zinc/41/68/82/350416882.db2.gz WUSLMFDQMCGOCE-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCN(Cc1cccc(C)n1)C[C@@H]1CCCO1 ZINC000336704617 350455640 /nfs/dbraw/zinc/45/56/40/350455640.db2.gz NEFWCOLWZGZILJ-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1cccc2ccccc21 ZINC000035304273 358456775 /nfs/dbraw/zinc/45/67/75/358456775.db2.gz JLDSKJMOOREDGL-UHFFFAOYSA-N 0 1 229.279 2.356 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000340524195 180382268 /nfs/dbraw/zinc/38/22/68/180382268.db2.gz CQXLHHSFPKUEAD-AXTRIDKLSA-N 0 1 225.311 2.270 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccncc2Cl)[C@@H](C)O1 ZINC000384869173 350606081 /nfs/dbraw/zinc/60/60/81/350606081.db2.gz IFEFNDROZMNEBB-LNLATYFQSA-N 0 1 240.734 2.391 20 0 BEADMN CCCC[C@@H](C)C(=O)Nc1nnc(CC)[nH]1 ZINC000337507638 350590990 /nfs/dbraw/zinc/59/09/90/350590990.db2.gz CAUXCUDKDORGSD-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCCC[C@@H](C)C(=O)Nc1nc(CC)n[nH]1 ZINC000337507638 350590992 /nfs/dbraw/zinc/59/09/92/350590992.db2.gz CAUXCUDKDORGSD-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000337540982 350593867 /nfs/dbraw/zinc/59/38/67/350593867.db2.gz YZXYETZVGUJTOG-GHMZBOCLSA-N 0 1 249.358 2.210 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000338063370 180444279 /nfs/dbraw/zinc/44/42/79/180444279.db2.gz YJEQFFGFAQYINN-BBBLOLIVSA-N 0 1 223.320 2.417 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCCC(C)(C)C ZINC000606875578 350623635 /nfs/dbraw/zinc/62/36/35/350623635.db2.gz NYZVBPBLNCKMIO-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN COc1ccncc1CN1C[C@@H]2CCC[C@@H]21 ZINC000335643450 538097762 /nfs/dbraw/zinc/09/77/62/538097762.db2.gz NGAHDTRKHMFQKM-JQWIXIFHSA-N 0 1 218.300 2.075 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1cncn1C ZINC000177129349 365982153 /nfs/dbraw/zinc/98/21/53/365982153.db2.gz WHWASZYLRNVPAA-LBPRGKRZSA-N 0 1 241.338 2.367 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1cncn1C ZINC000177129333 365982524 /nfs/dbraw/zinc/98/25/24/365982524.db2.gz WHWASZYLRNVPAA-GFCCVEGCSA-N 0 1 241.338 2.367 20 0 BEADMN CCc1csc(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000338782444 350711774 /nfs/dbraw/zinc/71/17/74/350711774.db2.gz CXBNPWBGPMTFIV-AOOOYVTPSA-N 0 1 239.388 2.234 20 0 BEADMN CC[C@@H]1CCCN1Cc1ncnn1C(C)(C)C ZINC000338306269 350677027 /nfs/dbraw/zinc/67/70/27/350677027.db2.gz NAWCBVKFOAGGMA-LLVKDONJSA-N 0 1 236.363 2.408 20 0 BEADMN Clc1cnccc1CNCCOCC1CC1 ZINC000236035303 350728861 /nfs/dbraw/zinc/72/88/61/350728861.db2.gz XZOVHDBYWVWEBD-UHFFFAOYSA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000339090914 350732718 /nfs/dbraw/zinc/73/27/18/350732718.db2.gz YUPQJCGNKUFSES-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000339090914 350732720 /nfs/dbraw/zinc/73/27/20/350732720.db2.gz YUPQJCGNKUFSES-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1nccs1 ZINC000385102347 350766023 /nfs/dbraw/zinc/76/60/23/350766023.db2.gz HXAMWDXWSXTYLD-RGOKHQFPSA-N 0 1 226.345 2.360 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000385132268 350773721 /nfs/dbraw/zinc/77/37/21/350773721.db2.gz LCZXILMSNFJGQM-FBIMIBRVSA-N 0 1 238.331 2.201 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@@H]2CC2(F)F)o1 ZINC000628311355 350811976 /nfs/dbraw/zinc/81/19/76/350811976.db2.gz JTNGEITURFKULE-MUWHJKNJSA-N 0 1 216.231 2.116 20 0 BEADMN COC(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000052106064 350938515 /nfs/dbraw/zinc/93/85/15/350938515.db2.gz VORAZSHAUSLQJD-CQSZACIVSA-N 0 1 247.338 2.257 20 0 BEADMN CCc1nc(C)c(CN[C@H](C)[C@@H](C)OC)o1 ZINC000291818046 350989306 /nfs/dbraw/zinc/98/93/06/350989306.db2.gz DIGRHTIMGPAGRI-PSASIEDQSA-N 0 1 226.320 2.058 20 0 BEADMN C[C@@H](CCC1CC1)NCc1ncccn1 ZINC000398097658 351005540 /nfs/dbraw/zinc/00/55/40/351005540.db2.gz RKNURERIDSJARC-JTQLQIEISA-N 0 1 205.305 2.145 20 0 BEADMN Cc1nnc(CN(C2CC2)C2CCCCC2)n1C ZINC000052665843 351035525 /nfs/dbraw/zinc/03/55/25/351035525.db2.gz HCXZYICDTXTLIZ-UHFFFAOYSA-N 0 1 248.374 2.421 20 0 BEADMN CN1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382778451 351051279 /nfs/dbraw/zinc/05/12/79/351051279.db2.gz VUUBHQUYBMADMX-QMMMGPOBSA-N 0 1 241.316 2.162 20 0 BEADMN CC(C)[C@@H]1CC[C@H]([NH2+]Cc2cnn[n-]2)C[C@@H]1C ZINC000623577863 363010183 /nfs/dbraw/zinc/01/01/83/363010183.db2.gz JKCIJJODUJDQFY-GVXVVHGQSA-N 0 1 236.363 2.355 20 0 BEADMN CC1(C)CCC[C@@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000623578154 363009730 /nfs/dbraw/zinc/00/97/30/363009730.db2.gz XAYPGTWCKADVED-SNVBAGLBSA-N 0 1 222.336 2.111 20 0 BEADMN CC[C@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071039378 351150333 /nfs/dbraw/zinc/15/03/33/351150333.db2.gz QHGJRDKVIGVAFM-JTQLQIEISA-N 0 1 244.298 2.252 20 0 BEADMN FCC1(NCc2cnn(CC(F)F)c2)CCC1 ZINC000571761881 323474239 /nfs/dbraw/zinc/47/42/39/323474239.db2.gz YBROVDAGAMQGOJ-UHFFFAOYSA-N 0 1 247.264 2.130 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CCC[C@H](C)O2)o1 ZINC000628339683 351283654 /nfs/dbraw/zinc/28/36/54/351283654.db2.gz TVHUCPYPHNIXPR-JOYOIKCWSA-N 0 1 238.331 2.339 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1nnc(C)o1 ZINC000379929456 351290384 /nfs/dbraw/zinc/29/03/84/351290384.db2.gz NNRMNIBGBNRJEH-VHSXEESVSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CN1CCc2nn[nH]c2C1 ZINC000628352524 351316285 /nfs/dbraw/zinc/31/62/85/351316285.db2.gz LTKJRMHERRPMQG-NWDGAFQWSA-N 0 1 248.374 2.379 20 0 BEADMN CN(Cc1c[nH]cn1)C[C@@]1(C)CCCS1 ZINC000628336555 351278794 /nfs/dbraw/zinc/27/87/94/351278794.db2.gz JRTLMSVBXTVUMF-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN CC(C)CN(C)C(=O)c1cccc2[nH]cnc21 ZINC000269471732 351357184 /nfs/dbraw/zinc/35/71/84/351357184.db2.gz LQZCDMJKMLYXTH-UHFFFAOYSA-N 0 1 231.299 2.291 20 0 BEADMN COc1cc(CN2CCCOCC2)ccc1C ZINC000335781236 538100245 /nfs/dbraw/zinc/10/02/45/538100245.db2.gz YJKOEUZXHALRRG-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN COc1ccc(CNCc2ccns2)cc1 ZINC000404445474 351459321 /nfs/dbraw/zinc/45/93/21/351459321.db2.gz BXWXRLRLOMDRBC-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN CCOC(=O)CN1CCc2ccccc2[C@H](C)C1 ZINC000405045333 351546578 /nfs/dbraw/zinc/54/65/78/351546578.db2.gz UOUJQVIJKHNVHQ-GFCCVEGCSA-N 0 1 247.338 2.211 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1nccn1C ZINC000275604606 351600988 /nfs/dbraw/zinc/60/09/88/351600988.db2.gz LBUHEMPBHZWTHK-LLVKDONJSA-N 0 1 209.337 2.431 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccns2)C1 ZINC000637814353 351654186 /nfs/dbraw/zinc/65/41/86/351654186.db2.gz ZCFMFEFIMRSTBH-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccns1 ZINC000637795239 351624495 /nfs/dbraw/zinc/62/44/95/351624495.db2.gz VQJWVQGVSAUPAM-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccns1 ZINC000637795239 351624499 /nfs/dbraw/zinc/62/44/99/351624499.db2.gz VQJWVQGVSAUPAM-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN C[C@H]1c2cccn2CCN1CCC[C@@H]1CCO1 ZINC000637840633 351695485 /nfs/dbraw/zinc/69/54/85/351695485.db2.gz GBYQQENMBUXLTC-QWHCGFSZSA-N 0 1 234.343 2.434 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN[C@@H](C)C1 ZINC000577727586 366045414 /nfs/dbraw/zinc/04/54/14/366045414.db2.gz SEMUMFZKWUKFHS-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278329092 351757539 /nfs/dbraw/zinc/75/75/39/351757539.db2.gz AXMFHDLOYJUCID-JTQLQIEISA-N 0 1 224.279 2.084 20 0 BEADMN CCCCCN(CCO)Cc1cc(C)ns1 ZINC000637889551 351758555 /nfs/dbraw/zinc/75/85/55/351758555.db2.gz KHPUDSHXWGENMZ-UHFFFAOYSA-N 0 1 242.388 2.436 20 0 BEADMN CO[C@@H](CNCc1cn2ccccc2n1)C(C)C ZINC000072924760 351764553 /nfs/dbraw/zinc/76/45/53/351764553.db2.gz YRVKNCVDRPVBSG-ZDUSSCGKSA-N 0 1 247.342 2.095 20 0 BEADMN CC1(C)CCN(Cc2cc[nH]n2)CCS1 ZINC000279341373 351808792 /nfs/dbraw/zinc/80/87/92/351808792.db2.gz FDEAIHVYQJUSCE-UHFFFAOYSA-N 0 1 225.361 2.127 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1oc(CN)cc1C ZINC000637985358 351860787 /nfs/dbraw/zinc/86/07/87/351860787.db2.gz DZFQNXWCMVGFHM-SECBINFHSA-N 0 1 238.331 2.165 20 0 BEADMN CN(Cc1ccc(C(F)F)nc1)[C@@H]1CCOC1 ZINC000638028226 351907592 /nfs/dbraw/zinc/90/75/92/351907592.db2.gz CIWQQZVZFCOLCW-SNVBAGLBSA-N 0 1 242.269 2.240 20 0 BEADMN CCC[C@@H](C[N@H+]1CCOCC12CCCC2)OC ZINC000638148796 352010155 /nfs/dbraw/zinc/01/01/55/352010155.db2.gz ALJPCKSHAORMTI-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN Cc1nccc(N2CCCOCC2)c1Cl ZINC000335901936 538101730 /nfs/dbraw/zinc/10/17/30/538101730.db2.gz FGHCFYPYBYPLLA-UHFFFAOYSA-N 0 1 226.707 2.270 20 0 BEADMN Cc1cc(CN2CCCOC[C@@H]2C)sn1 ZINC000638099726 351980138 /nfs/dbraw/zinc/98/01/38/351980138.db2.gz DOUUQUNMZFWYKV-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN C[C@@H](NCc1ccncc1)c1cccnc1 ZINC000020139855 351983427 /nfs/dbraw/zinc/98/34/27/351983427.db2.gz BCSQHXDTYPAQSS-LLVKDONJSA-N 0 1 213.284 2.327 20 0 BEADMN CC[C@](C)(C[N@@H+](C)CCc1nccs1)OC ZINC000638155357 352017604 /nfs/dbraw/zinc/01/76/04/352017604.db2.gz XLRBWTRODMNZGI-GFCCVEGCSA-N 0 1 242.388 2.433 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CC(C)=C(C)C ZINC000638158942 352023425 /nfs/dbraw/zinc/02/34/25/352023425.db2.gz NEVZJLROYVWRAP-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN COc1ncc(CN(C)CC(C)(C)OC)s1 ZINC000638175338 352041164 /nfs/dbraw/zinc/04/11/64/352041164.db2.gz ZCDPLAZVCKOGJP-UHFFFAOYSA-N 0 1 244.360 2.009 20 0 BEADMN CCN1CCN(C(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000288624777 352159274 /nfs/dbraw/zinc/15/92/74/352159274.db2.gz YALPKRYNHKFSBZ-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CCN(Cc2ccc(C)o2)[C@@H](C)C1 ZINC000289797905 352198051 /nfs/dbraw/zinc/19/80/51/352198051.db2.gz SJABRMQTXFTIFI-NSHDSACASA-N 0 1 222.332 2.114 20 0 BEADMN c1c(CNC[C@H]2CCCCO2)onc1C1CC1 ZINC000638426907 352235160 /nfs/dbraw/zinc/23/51/60/352235160.db2.gz MVDYIBSXFONNDH-LLVKDONJSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1cccc(NCCC[C@H]2CCO2)n1 ZINC000638395172 352200429 /nfs/dbraw/zinc/20/04/29/352200429.db2.gz SHMWJKUPIZTDMO-NSHDSACASA-N 0 1 206.289 2.371 20 0 BEADMN CC1(C)CN(Cc2cccnc2)[C@H]1[C@H]1CCCO1 ZINC000289993029 352206018 /nfs/dbraw/zinc/20/60/18/352206018.db2.gz YNOOEKIFSSKAEC-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)c1cnc(C)[nH]1 ZINC000291025115 352256502 /nfs/dbraw/zinc/25/65/02/352256502.db2.gz SVBJVCFEEQQTJJ-VIFPVBQESA-N 0 1 223.320 2.369 20 0 BEADMN CCN(Cc1cnc(C)s1)C[C@H](C)OC ZINC000291147828 352263375 /nfs/dbraw/zinc/26/33/75/352263375.db2.gz ZCLUMJRHDDTVSY-VIFPVBQESA-N 0 1 228.361 2.308 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC000411149325 191165397 /nfs/dbraw/zinc/16/53/97/191165397.db2.gz QGTCBRLBFUZKKY-GUBZILKMSA-N 0 1 222.336 2.152 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)c1ccn[nH]1 ZINC000291270007 352270595 /nfs/dbraw/zinc/27/05/95/352270595.db2.gz NWPITFNBKADCGY-SECBINFHSA-N 0 1 209.293 2.060 20 0 BEADMN CN(C(=O)c1n[nH]cc1C(F)(F)F)C(C)(C)C ZINC000630074862 363158895 /nfs/dbraw/zinc/15/88/95/363158895.db2.gz BSSVEFVIZOBCBD-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN CC1(C)CC[C@H](CO)N(Cc2ccns2)C1 ZINC000630074932 363160719 /nfs/dbraw/zinc/16/07/19/363160719.db2.gz UXFCTDMCYSGGSG-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638492462 352305289 /nfs/dbraw/zinc/30/52/89/352305289.db2.gz VUOHVUKHCWUYEX-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN CCNC(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000015261665 352309983 /nfs/dbraw/zinc/30/99/83/352309983.db2.gz FOJCRAUINCRYED-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1cccc(NC[C@@]2(C)CCOC2)n1 ZINC000309174666 187652412 /nfs/dbraw/zinc/65/24/12/187652412.db2.gz MGNFIRWLJFYEOU-GFCCVEGCSA-N 0 1 206.289 2.229 20 0 BEADMN CC[N@@H+](Cc1ccc2ccccc2n1)[C@@H](C)CO ZINC000293452359 352351599 /nfs/dbraw/zinc/35/15/99/352351599.db2.gz PKVSEIHLWIMXBC-LBPRGKRZSA-N 0 1 244.338 2.438 20 0 BEADMN CC[C@H](C)CN(C)[C@H](C)c1nnc(C)[nH]1 ZINC000411256965 191172942 /nfs/dbraw/zinc/17/29/42/191172942.db2.gz RSHMGNWJKBTFKF-DTWKUNHWSA-N 0 1 210.325 2.152 20 0 BEADMN CCN(Cc1ccncc1)[C@H](C)c1n[nH]c(C)n1 ZINC000411425242 191185779 /nfs/dbraw/zinc/18/57/79/191185779.db2.gz MDUDLYNVRCPXLJ-SNVBAGLBSA-N 0 1 245.330 2.091 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)[nH]1 ZINC000411425935 191185888 /nfs/dbraw/zinc/18/58/88/191185888.db2.gz NBDQLWSIASLVLJ-UTLUCORTSA-N 0 1 222.336 2.152 20 0 BEADMN CCN(Cc1cc(OC)ccc1F)[C@H](C)CO ZINC000293923231 352364999 /nfs/dbraw/zinc/36/49/99/352364999.db2.gz MTVPEALTFMGGMO-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CC1(C)CN(Cc2c[nH]nn2)[C@H]1c1cccs1 ZINC000295202179 352401174 /nfs/dbraw/zinc/40/11/74/352401174.db2.gz NKCLXWWQPGGWOK-NSHDSACASA-N 0 1 248.355 2.449 20 0 BEADMN CNc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000638563583 352388531 /nfs/dbraw/zinc/38/85/31/352388531.db2.gz OWNIUGXEDKTDSV-UHFFFAOYSA-N 0 1 235.331 2.007 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1nc2ccccc2o1 ZINC000638581550 352412309 /nfs/dbraw/zinc/41/23/09/352412309.db2.gz QGGCIBJOWFCTJF-CMPLNLGQSA-N 0 1 248.326 2.324 20 0 BEADMN Cc1cnc(CNCC2CCSCC2)o1 ZINC000638586674 352417785 /nfs/dbraw/zinc/41/77/85/352417785.db2.gz CIPBSNGBOIDHSD-UHFFFAOYSA-N 0 1 226.345 2.216 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1nccnc1OC ZINC000296204864 352439162 /nfs/dbraw/zinc/43/91/62/352439162.db2.gz ZJCWFOXYAYBYEJ-LLVKDONJSA-N 0 1 237.347 2.496 20 0 BEADMN C[C@H]1CCCC[C@H]1CCNCc1ncnn1C ZINC000638616207 352456222 /nfs/dbraw/zinc/45/62/22/352456222.db2.gz OPQOVXRKOZUHKW-RYUDHWBXSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1cnc(CN[C@@H](C)CCc2cccn2C)o1 ZINC000638627119 352465572 /nfs/dbraw/zinc/46/55/72/352465572.db2.gz OULBUSQAYBJXDK-NSHDSACASA-N 0 1 247.342 2.432 20 0 BEADMN C/C=C\CNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000638690013 352526091 /nfs/dbraw/zinc/52/60/91/352526091.db2.gz NSSYFVLQPHFPDN-OTDNITJGSA-N 0 1 238.718 2.032 20 0 BEADMN O[C@@H]1CCC[C@H]1CNCc1nc2ccccc2o1 ZINC000638713026 352553738 /nfs/dbraw/zinc/55/37/38/352553738.db2.gz SPSFSDWFGIEZJH-CMPLNLGQSA-N 0 1 246.310 2.078 20 0 BEADMN Cc1cnc([C@@H](C)NC[C@H]2CCCO2)s1 ZINC000045206279 352587957 /nfs/dbraw/zinc/58/79/57/352587957.db2.gz FSBGDLXULYQOSY-NXEZZACHSA-N 0 1 226.345 2.281 20 0 BEADMN C(CN1CCO[C@H](C2CCC2)C1)OC1CCC1 ZINC000411843097 191216836 /nfs/dbraw/zinc/21/68/36/191216836.db2.gz HURZJXSFSHTBDE-AWEZNQCLSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1ccc(C)c(CNC2(C(=O)N(C)C)CC2)c1 ZINC000411914753 191226427 /nfs/dbraw/zinc/22/64/27/191226427.db2.gz QQYIAIOKBBXAKK-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cc(C)cc(CNC2(C(=O)N(C)C)CC2)c1 ZINC000411915981 191227162 /nfs/dbraw/zinc/22/71/62/191227162.db2.gz UIIKSNXCKDZFEY-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1ccc(CNC2(C(=O)N(C)C)CC2)cc1C ZINC000411911621 191228690 /nfs/dbraw/zinc/22/86/90/191228690.db2.gz KLRIVACCZZGRHQ-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCC2(CCCC2)CC1 ZINC000266479842 352627771 /nfs/dbraw/zinc/62/77/71/352627771.db2.gz PZYWVWONUAGRFS-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN C[C@H](C[N@H+]1CCO[C@H](CF)C1)c1ccccc1 ZINC000411860041 191222465 /nfs/dbraw/zinc/22/24/65/191222465.db2.gz PLZDYZFOKKBHFC-TZMCWYRMSA-N 0 1 237.318 2.460 20 0 BEADMN C[C@H](CN1CCO[C@H](CF)C1)c1ccccc1 ZINC000411860041 191222467 /nfs/dbraw/zinc/22/24/67/191222467.db2.gz PLZDYZFOKKBHFC-TZMCWYRMSA-N 0 1 237.318 2.460 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1ncc(C)cn1)C1CC1 ZINC000411969573 191235792 /nfs/dbraw/zinc/23/57/92/191235792.db2.gz LWBOVJTXYJKRAV-FZMZJTMJSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@H](CNc1ccc2nn[nH]c2c1)CC(C)C ZINC000638762042 352699233 /nfs/dbraw/zinc/69/92/33/352699233.db2.gz QMESJPSJXZDYIB-NSHDSACASA-N 0 1 248.330 2.431 20 0 BEADMN CO[C@H](CNc1ccc2n[nH]nc2c1)CC(C)C ZINC000638762042 352699235 /nfs/dbraw/zinc/69/92/35/352699235.db2.gz QMESJPSJXZDYIB-NSHDSACASA-N 0 1 248.330 2.431 20 0 BEADMN CO[C@](C)(CNc1ccc2nn[nH]c2c1)C1CC1 ZINC000638762488 352700281 /nfs/dbraw/zinc/70/02/81/352700281.db2.gz VJRIKMDOHLOEQU-CYBMUJFWSA-N 0 1 246.314 2.185 20 0 BEADMN CO[C@](C)(CNc1ccc2n[nH]nc2c1)C1CC1 ZINC000638762488 352700284 /nfs/dbraw/zinc/70/02/84/352700284.db2.gz VJRIKMDOHLOEQU-CYBMUJFWSA-N 0 1 246.314 2.185 20 0 BEADMN CCC[C@@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762467 352700380 /nfs/dbraw/zinc/70/03/80/352700380.db2.gz VBKOKNFMOWRKQD-JTQLQIEISA-N 0 1 234.303 2.185 20 0 BEADMN CCC[C@@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762467 352700382 /nfs/dbraw/zinc/70/03/82/352700382.db2.gz VBKOKNFMOWRKQD-JTQLQIEISA-N 0 1 234.303 2.185 20 0 BEADMN CCC[C@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762468 352700431 /nfs/dbraw/zinc/70/04/31/352700431.db2.gz VBKOKNFMOWRKQD-SNVBAGLBSA-N 0 1 234.303 2.185 20 0 BEADMN CCC[C@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762468 352700434 /nfs/dbraw/zinc/70/04/34/352700434.db2.gz VBKOKNFMOWRKQD-SNVBAGLBSA-N 0 1 234.303 2.185 20 0 BEADMN CCN(Cc1ccn(C)n1)C1CC(C)(C)C1 ZINC000412033070 191242869 /nfs/dbraw/zinc/24/28/69/191242869.db2.gz HYADCFXXJQPYMX-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN Cc1cc(CN2CC(C)(C)C[C@@H]2C)nn1C ZINC000412046366 191243924 /nfs/dbraw/zinc/24/39/24/191243924.db2.gz RBVLWQZEKTUREW-NSHDSACASA-N 0 1 221.348 2.349 20 0 BEADMN CO[C@](C)([C@H](C)NCc1ncc(C)o1)C1CC1 ZINC000411948056 191231692 /nfs/dbraw/zinc/23/16/92/191231692.db2.gz MVCVVZXFNWCEMN-GXFFZTMASA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1ncc(C)o1)C1CC1 ZINC000411948059 191231803 /nfs/dbraw/zinc/23/18/03/191231803.db2.gz MVCVVZXFNWCEMN-ZWNOBZJWSA-N 0 1 238.331 2.276 20 0 BEADMN CCN1CCN(C(=O)CCC2CCC2)[C@H](C)C1 ZINC000341769700 352723171 /nfs/dbraw/zinc/72/31/71/352723171.db2.gz AEHXQHQNZHLGJY-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)CC(C)C)[C@H](C)C1 ZINC000341803289 352728370 /nfs/dbraw/zinc/72/83/70/352728370.db2.gz ZMDXUWFAIORHTP-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000341803290 352728783 /nfs/dbraw/zinc/72/87/83/352728783.db2.gz ZMDXUWFAIORHTP-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1CCN(C(=O)C[C@@H](C)C(C)C)[C@H](C)C1 ZINC000341838920 352729646 /nfs/dbraw/zinc/72/96/46/352729646.db2.gz IRIRCFLHYYPJAH-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCOC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000412050371 191245337 /nfs/dbraw/zinc/24/53/37/191245337.db2.gz YFEQBUXUYHPKCT-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN Clc1cccnc1SCc1c[nH]nn1 ZINC000334179689 352766517 /nfs/dbraw/zinc/76/65/17/352766517.db2.gz BEEMKVSRYYJADB-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CCN1C[C@@H](C)N(Cc2nccs2)C[C@H]1C ZINC000334220035 352821812 /nfs/dbraw/zinc/82/18/12/352821812.db2.gz UZDPZKIJZVBQJM-GHMZBOCLSA-N 0 1 239.388 2.058 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCOC3(CCCC3)C2)O1 ZINC000334189101 352778683 /nfs/dbraw/zinc/77/86/83/352778683.db2.gz KQGRHTZBNCFFCG-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN CC1=C(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)CCC1 ZINC000334240790 352828762 /nfs/dbraw/zinc/82/87/62/352828762.db2.gz VZKFFCOTWAUXNU-TXEJJXNPSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1ncc(C[N@H+]2CCCC3(CC3)C2)cn1 ZINC000334207414 352803448 /nfs/dbraw/zinc/80/34/48/352803448.db2.gz WYZYTBGBUAMRFY-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN Cc1ncc(CN2CCCC3(CC3)C2)cn1 ZINC000334207414 352803453 /nfs/dbraw/zinc/80/34/53/352803453.db2.gz WYZYTBGBUAMRFY-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000334207453 352803668 /nfs/dbraw/zinc/80/36/68/352803668.db2.gz XAHVBICQPZPUIE-LLVKDONJSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@H](C(=O)N(C)C)N1CC=C(C(C)(C)C)CC1 ZINC000334207453 352803669 /nfs/dbraw/zinc/80/36/69/352803669.db2.gz XAHVBICQPZPUIE-LLVKDONJSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1nocc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000334208181 352804583 /nfs/dbraw/zinc/80/45/83/352804583.db2.gz COCBUDGIGGISPX-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1nocc1CN1CCCO[C@H](C(C)C)C1 ZINC000334208181 352804585 /nfs/dbraw/zinc/80/45/85/352804585.db2.gz COCBUDGIGGISPX-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000334242026 352830575 /nfs/dbraw/zinc/83/05/75/352830575.db2.gz QCGAHXDSWPGLAE-GFCCVEGCSA-N 0 1 242.326 2.109 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)cn1 ZINC000342841764 352871537 /nfs/dbraw/zinc/87/15/37/352871537.db2.gz RECGKKALCXCRKD-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN Cc1cnc(CN(CC2CC2)C2CCC2)n1C ZINC000342849056 352874153 /nfs/dbraw/zinc/87/41/53/352874153.db2.gz GCEASFUUMFNMJZ-UHFFFAOYSA-N 0 1 233.359 2.493 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nnc(C)o1 ZINC000334249530 352842666 /nfs/dbraw/zinc/84/26/66/352842666.db2.gz ZFQFRDZLBIKIPN-SCZZXKLOSA-N 0 1 209.293 2.141 20 0 BEADMN CCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000334269460 352905807 /nfs/dbraw/zinc/90/58/07/352905807.db2.gz CYQVQWOEGXEGRN-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN CCOc1ccc2c(c1)CCN([C@@H]1CCOC1)C2 ZINC000334269460 352905811 /nfs/dbraw/zinc/90/58/11/352905811.db2.gz CYQVQWOEGXEGRN-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H](c2ccccc2)C1 ZINC000334269728 352906420 /nfs/dbraw/zinc/90/64/20/352906420.db2.gz QZVCPPGUWFTTRC-LBPRGKRZSA-N 0 1 241.294 2.039 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@@H](C)C2)n1C1CC1 ZINC000334274855 352911269 /nfs/dbraw/zinc/91/12/69/352911269.db2.gz QQBQJHGFIWQHJQ-UWVGGRQHSA-N 0 1 234.347 2.009 20 0 BEADMN c1n[nH]c2cc(CCNc3cnccn3)ccc12 ZINC000343048365 352934795 /nfs/dbraw/zinc/93/47/95/352934795.db2.gz BPEXRLJXXLTOOQ-UHFFFAOYSA-N 0 1 239.282 2.008 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC000334282953 352923784 /nfs/dbraw/zinc/92/37/84/352923784.db2.gz YSYHLLNNQSNLPV-NEPJUHHUSA-N 0 1 221.348 2.431 20 0 BEADMN CC(C)(C(=O)Nc1cccc(F)c1)c1cnc[nH]1 ZINC000334290044 352929305 /nfs/dbraw/zinc/92/93/05/352929305.db2.gz BWKRXUMVQMZXMH-UHFFFAOYSA-N 0 1 247.273 2.465 20 0 BEADMN Cc1cnc(CN2CCCC3(CCC3)C2)n1C ZINC000342860315 352879751 /nfs/dbraw/zinc/87/97/51/352879751.db2.gz PKOMNZOWMMKBOD-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)nc1 ZINC000334261389 352894258 /nfs/dbraw/zinc/89/42/58/352894258.db2.gz XSXPZWPFUWLJGX-QWHCGFSZSA-N 0 1 247.386 2.168 20 0 BEADMN CCCN[C@H](C)c1nc(CC2CC2)no1 ZINC000087584169 535192217 /nfs/dbraw/zinc/19/22/17/535192217.db2.gz YZVLEVJSSNROFX-MRVPVSSYSA-N 0 1 209.293 2.083 20 0 BEADMN c1coc(CN2CCOCC3(CCC3)C2)c1 ZINC000334315913 352947129 /nfs/dbraw/zinc/94/71/29/352947129.db2.gz RQNXSLOREXJHHE-UHFFFAOYSA-N 0 1 221.300 2.282 20 0 BEADMN CO[C@@H]1CCN(c2ccnc(C)c2Cl)C1 ZINC000334396937 353070079 /nfs/dbraw/zinc/07/00/79/353070079.db2.gz CCZHKGRSZTYPOY-SECBINFHSA-N 0 1 226.707 2.269 20 0 BEADMN CC[C@@H](NCC(F)F)C1CCOCC1 ZINC000379591725 538107736 /nfs/dbraw/zinc/10/77/36/538107736.db2.gz XTGSIBXCIQLQRS-SECBINFHSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@]1(NCc2cc(C3CC3)no2)CCCOC1 ZINC000638920434 353078962 /nfs/dbraw/zinc/07/89/62/353078962.db2.gz CTPFDFTZHAIJNW-ZDUSSCGKSA-N 0 1 236.315 2.211 20 0 BEADMN F[C@@H]1CCCC[C@H]1NCc1cccnc1 ZINC000335633555 187991501 /nfs/dbraw/zinc/99/15/01/187991501.db2.gz JSIKTKYBEFJCRW-VXGBXAGGSA-N 0 1 208.280 2.452 20 0 BEADMN CCOCCN(C)Cc1c(C)cccc1OC ZINC000638935815 353100056 /nfs/dbraw/zinc/10/00/56/353100056.db2.gz DEZFQKDIIVYDGX-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN COc1ccc(C[N@H+]2CCCC3(CC3)C2)nc1 ZINC000274538645 188028324 /nfs/dbraw/zinc/02/83/24/188028324.db2.gz RGOHUWYBMVTZMH-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1ccc(CN2CCCC3(CC3)C2)nc1 ZINC000274538645 188028326 /nfs/dbraw/zinc/02/83/26/188028326.db2.gz RGOHUWYBMVTZMH-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000280558532 188031135 /nfs/dbraw/zinc/03/11/35/188031135.db2.gz QBAWXTPEZFGWOB-UWVGGRQHSA-N 0 1 236.319 2.268 20 0 BEADMN C[N@@H+](CCc1nccs1)C[C@@H](O)C(C)(C)C ZINC000283966335 188033058 /nfs/dbraw/zinc/03/30/58/188033058.db2.gz LTNKLCPPWOKZTF-SNVBAGLBSA-N 0 1 242.388 2.024 20 0 BEADMN COc1ccc(C[N@H+]2CCCC(C)(C)C2)nn1 ZINC000283163787 188033320 /nfs/dbraw/zinc/03/33/20/188033320.db2.gz PDAQBWZQXRTFKI-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COc1ccc(CN2CCCC(C)(C)C2)nn1 ZINC000283163787 188033322 /nfs/dbraw/zinc/03/33/22/188033322.db2.gz PDAQBWZQXRTFKI-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000284339253 188033656 /nfs/dbraw/zinc/03/36/56/188033656.db2.gz QZNAPDLJNNUSPM-GJZGRUSLSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)[C@@H](O)CN1CCO[C@H](c2ccccc2)C1 ZINC000284339253 188033658 /nfs/dbraw/zinc/03/36/58/188033658.db2.gz QZNAPDLJNNUSPM-GJZGRUSLSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC[C@@H](C)C1 ZINC000294899426 188038041 /nfs/dbraw/zinc/03/80/41/188038041.db2.gz ZASCXJBOJXJZGE-BXUZGUMPSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cccc(C)c2)n[nH]1 ZINC000334475009 353119432 /nfs/dbraw/zinc/11/94/32/353119432.db2.gz LUCLLFUQSQTHSN-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000334475380 353119454 /nfs/dbraw/zinc/11/94/54/353119454.db2.gz NWBRMPFVDPJPJA-VXGBXAGGSA-N 0 1 248.374 2.388 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cccc(C(C)=O)c1 ZINC000295268556 188039050 /nfs/dbraw/zinc/03/90/50/188039050.db2.gz JHRSVJHUHLCRQT-NSHDSACASA-N 0 1 235.327 2.356 20 0 BEADMN CC(C)N(Cc1ccc2c(c1)CCO2)C1COC1 ZINC000295942837 188039129 /nfs/dbraw/zinc/03/91/29/188039129.db2.gz GMNFOZAYFZIVIG-UHFFFAOYSA-N 0 1 247.338 2.231 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1cnc[nH]1 ZINC000295759763 188039231 /nfs/dbraw/zinc/03/92/31/188039231.db2.gz JQCRXZXSQUMAEU-CYBMUJFWSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCCC[C@@H]1C ZINC000295743077 188039733 /nfs/dbraw/zinc/03/97/33/188039733.db2.gz OYLDXXZSSZQGCG-GXTWGEPZSA-N 0 1 246.354 2.396 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000054067618 188005112 /nfs/dbraw/zinc/00/51/12/188005112.db2.gz HAHLRPCGXFIARD-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN C/C=C\C[C@H](CO)NCc1ncc(CC)s1 ZINC000336768199 188005583 /nfs/dbraw/zinc/00/55/83/188005583.db2.gz QMVVAGXAZRPPJE-TZGMSPROSA-N 0 1 240.372 2.122 20 0 BEADMN C[C@H](C(N)=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000330504653 188046144 /nfs/dbraw/zinc/04/61/44/188046144.db2.gz IIQLWUSWEYIWJT-ZYHUDNBSSA-N 0 1 233.315 2.097 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1[nH]nc2ccccc21 ZINC000336166368 535201983 /nfs/dbraw/zinc/20/19/83/535201983.db2.gz SXGQTURFLXYETB-GFCCVEGCSA-N 0 1 243.310 2.433 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2cnoc2C)CC1 ZINC000336310820 188054766 /nfs/dbraw/zinc/05/47/66/188054766.db2.gz MNKHMUVMIQENDO-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cnccc1N(C)C ZINC000336355508 188054924 /nfs/dbraw/zinc/05/49/24/188054924.db2.gz SPXBPABCDSUPEZ-LBPRGKRZSA-N 0 1 247.342 2.018 20 0 BEADMN CC(C)(C)[C@@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000336460121 188056718 /nfs/dbraw/zinc/05/67/18/188056718.db2.gz IOYWOGRHGYMNTP-STQMWFEESA-N 0 1 241.375 2.302 20 0 BEADMN COC1(CNCc2cc(C3CC3)no2)CCC1 ZINC000638955812 353169562 /nfs/dbraw/zinc/16/95/62/353169562.db2.gz MZYDXUZDFRSEOP-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN CC[C@@H](NCc1nc(C)no1)C(C)(C)C ZINC000336762579 353203768 /nfs/dbraw/zinc/20/37/68/353203768.db2.gz NYAQTFQSICVSCC-SECBINFHSA-N 0 1 211.309 2.292 20 0 BEADMN Cc1cc(N)cc(NC(=O)[C@H]2CCCCN2C)c1 ZINC000638985329 353211242 /nfs/dbraw/zinc/21/12/42/353211242.db2.gz YFSJDAXMLXZSIM-CYBMUJFWSA-N 0 1 247.342 2.000 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)[C@@H](N)c1ccccc1 ZINC000638998875 353245297 /nfs/dbraw/zinc/24/52/97/353245297.db2.gz WTJNOWMAHIXONP-FZMZJTMJSA-N 0 1 246.354 2.381 20 0 BEADMN CC[N@H+]1CCN(c2ccnc(C(C)C)n2)[C@@H](C)C1 ZINC000343261965 353265315 /nfs/dbraw/zinc/26/53/15/353265315.db2.gz GBOOJCZBIUVAMS-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN CCN1CCN(c2ccnc(C(C)C)n2)[C@@H](C)C1 ZINC000343261965 353265319 /nfs/dbraw/zinc/26/53/19/353265319.db2.gz GBOOJCZBIUVAMS-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1c[nH]nc1C ZINC000134559143 538113354 /nfs/dbraw/zinc/11/33/54/538113354.db2.gz OGBYUYKIVWTWQS-ZETCQYMHSA-N 0 1 236.344 2.334 20 0 BEADMN CC(C)C[C@@H](CN(C)CC(N)=O)c1ccccc1 ZINC000353382292 188234845 /nfs/dbraw/zinc/23/48/45/188234845.db2.gz OVQTXAANJRODPR-AWEZNQCLSA-N 0 1 248.370 2.233 20 0 BEADMN CCN(C)c1ccc(CNC(C)(C)CF)cn1 ZINC000359684721 188241385 /nfs/dbraw/zinc/24/13/85/188241385.db2.gz KMENIDWIIWVEEK-UHFFFAOYSA-N 0 1 239.338 2.375 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000360935326 188243974 /nfs/dbraw/zinc/24/39/74/188243974.db2.gz BBPMWCKJXDKLAZ-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN c1ccc(CCCN2CCO[C@H]3C[C@H]32)cc1 ZINC000368326616 188246498 /nfs/dbraw/zinc/24/64/98/188246498.db2.gz DAWQEPRSKDVVDG-KGLIPLIRSA-N 0 1 217.312 2.092 20 0 BEADMN Oc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000668840807 538114382 /nfs/dbraw/zinc/11/43/82/538114382.db2.gz JICFUWXRZZPBFS-UHFFFAOYSA-N 0 1 243.310 2.064 20 0 BEADMN CCN(C(=O)c1ncccc1O)c1ccccc1 ZINC000037760552 358477601 /nfs/dbraw/zinc/47/76/01/358477601.db2.gz GPNDVGSFZMTYRV-UHFFFAOYSA-N 0 1 242.278 2.454 20 0 BEADMN C/C=C/C[C@H](CO)N[C@@H](C)c1csc(C)n1 ZINC000336782016 188256059 /nfs/dbraw/zinc/25/60/59/188256059.db2.gz WLTHBVCDRCTJED-ALWPCLGOSA-N 0 1 240.372 2.429 20 0 BEADMN C/C=C/C[C@H](CO)N[C@@H](C)c1cscn1 ZINC000274678513 188264784 /nfs/dbraw/zinc/26/47/84/188264784.db2.gz ZPCUDEKKLASQIX-FCVPOFOPSA-N 0 1 226.345 2.121 20 0 BEADMN Cc1cccc(NCC[C@@H](C)CCO)n1 ZINC000294959580 188268782 /nfs/dbraw/zinc/26/87/82/188268782.db2.gz NFFJXMHMNASNDR-SNVBAGLBSA-N 0 1 208.305 2.211 20 0 BEADMN CC(C)C[C@H](N)c1noc(C(C)(C)C)n1 ZINC000036764850 188278505 /nfs/dbraw/zinc/27/85/05/188278505.db2.gz KXGCANLJVFWDGV-QMMMGPOBSA-N 0 1 211.309 2.413 20 0 BEADMN CC(C)[C@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000049519920 188298888 /nfs/dbraw/zinc/29/88/88/188298888.db2.gz ANRQGRPXRINMNW-VIFPVBQESA-N 0 1 221.304 2.059 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC000105980656 188301616 /nfs/dbraw/zinc/30/16/16/188301616.db2.gz WXLMZTSIVTYDDH-GXSJLCMTSA-N 0 1 237.299 2.310 20 0 BEADMN CC(C)Cc1ncc(CN(C)C[C@H](C)O)s1 ZINC000130838892 188331441 /nfs/dbraw/zinc/33/14/41/188331441.db2.gz LQILKWBRUAEDLQ-JTQLQIEISA-N 0 1 242.388 2.154 20 0 BEADMN CC[C@@]1(C)CN(Cc2ccc(CO)cc2)CCO1 ZINC000135678463 188331999 /nfs/dbraw/zinc/33/19/99/188331999.db2.gz LWARTMCMGZGIOD-HNNXBMFYSA-N 0 1 249.354 2.180 20 0 BEADMN CN(CCc1nccs1)Cc1ccccn1 ZINC000157451225 188333841 /nfs/dbraw/zinc/33/38/41/188333841.db2.gz PHJAUJRWXPXZDM-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN Cc1nnc([C@H]2CCCCN2CC(C)C)[nH]1 ZINC000334508837 353394857 /nfs/dbraw/zinc/39/48/57/353394857.db2.gz HMYCKHXZQSERLS-LLVKDONJSA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1ncc(Cl)s1 ZINC000309077125 188342552 /nfs/dbraw/zinc/34/25/52/188342552.db2.gz LVZDVMKFKHCLRF-SSDOTTSWSA-N 0 1 248.779 2.293 20 0 BEADMN C/C(=C\c1ccccc1)CN(CC(N)=O)C(C)C ZINC000179659080 188343618 /nfs/dbraw/zinc/34/36/18/188343618.db2.gz ONVZLFHELMOLQL-UKTHLTGXSA-N 0 1 246.354 2.286 20 0 BEADMN Cc1nccc(N2CC(O)(C3CC3)C2)c1Cl ZINC000309255024 188344099 /nfs/dbraw/zinc/34/40/99/188344099.db2.gz AWARGJAJXKDNFS-UHFFFAOYSA-N 0 1 238.718 2.005 20 0 BEADMN CC(C)(CO)[C@@H](NCCF)c1ccccc1 ZINC000309414647 188344838 /nfs/dbraw/zinc/34/48/38/188344838.db2.gz YMYVOCWUKVACRS-LBPRGKRZSA-N 0 1 225.307 2.305 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421197 538116033 /nfs/dbraw/zinc/11/60/33/538116033.db2.gz NDQRDKDUUVTXHI-RYUDHWBXSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H]1COCCCN1Cc1cccc(C#N)c1 ZINC000398962084 353388433 /nfs/dbraw/zinc/38/84/33/353388433.db2.gz ZWEJXPGRJFYYCG-LBPRGKRZSA-N 0 1 230.311 2.169 20 0 BEADMN Cc1ccc(C[N@H+](C)CC2(CO)CC2)c(F)c1 ZINC000639085006 353422887 /nfs/dbraw/zinc/42/28/87/353422887.db2.gz BQDMTFFANFZXNR-UHFFFAOYSA-N 0 1 237.318 2.338 20 0 BEADMN Cc1ccc(CN(C)CC2(CO)CC2)c(F)c1 ZINC000639085006 353422889 /nfs/dbraw/zinc/42/28/89/353422889.db2.gz BQDMTFFANFZXNR-UHFFFAOYSA-N 0 1 237.318 2.338 20 0 BEADMN Cc1ccnc(CN(C)CC2CCCC2)n1 ZINC000336693570 188359781 /nfs/dbraw/zinc/35/97/81/188359781.db2.gz DGSFNRONLGKHIR-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN CC(C)C[C@H](C)CN1CC[S@@](=O)[C@@H](C)C1 ZINC000337199823 188361605 /nfs/dbraw/zinc/36/16/05/188361605.db2.gz ZEOSOUUVVWXZBK-SLEUVZQESA-N 0 1 231.405 2.121 20 0 BEADMN CC(C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062750799 188361838 /nfs/dbraw/zinc/36/18/38/188361838.db2.gz PNRSSSCLYUNXNQ-UHFFFAOYSA-N 0 1 225.263 2.364 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CC[C@@H](CC2CC2)C1 ZINC000339673294 188369082 /nfs/dbraw/zinc/36/90/82/188369082.db2.gz GLXZINZNXQARCT-NSHDSACASA-N 0 1 246.358 2.304 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339683779 188369115 /nfs/dbraw/zinc/36/91/15/188369115.db2.gz OZJPHEJLGCGEGJ-LBPRGKRZSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)(C)c1nc(CSc2ncccn2)n[nH]1 ZINC000292310608 188390604 /nfs/dbraw/zinc/39/06/04/188390604.db2.gz BFPWDSSRYKWHLK-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN CCc1ncc(CN(C)C[C@@H](C)OC)s1 ZINC000272848068 188376733 /nfs/dbraw/zinc/37/67/33/188376733.db2.gz VANYHUABCSZTHG-SECBINFHSA-N 0 1 228.361 2.172 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(F)c1 ZINC000639089239 353447544 /nfs/dbraw/zinc/44/75/44/353447544.db2.gz DTCIEGCOJVIHPV-BXUZGUMPSA-N 0 1 237.318 2.337 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000274944919 188378981 /nfs/dbraw/zinc/37/89/81/188378981.db2.gz NVDCILFYVJWFSS-TUAOUCFPSA-N 0 1 247.342 2.195 20 0 BEADMN Cc1nn(C(C)C)cc1CN[C@H](C)c1cn[nH]c1 ZINC000281478913 188384780 /nfs/dbraw/zinc/38/47/80/188384780.db2.gz VFRRPQWIKZJMOF-SNVBAGLBSA-N 0 1 247.346 2.346 20 0 BEADMN COc1ccncc1CN(C)C1CCC1 ZINC000287826484 188388334 /nfs/dbraw/zinc/38/83/34/188388334.db2.gz PYNAZKJUJFCYIB-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CSc1ccc(NCc2[nH]ncc2C)nc1 ZINC000289502544 188388854 /nfs/dbraw/zinc/38/88/54/188388854.db2.gz MEIJFUUJUOEJFN-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN C[N@H+]1CCC[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000044537626 188397034 /nfs/dbraw/zinc/39/70/34/188397034.db2.gz BIGNQXFLKQGIMB-JTQLQIEISA-N 0 1 239.750 2.489 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1cn(C)nn1 ZINC000341692853 188398852 /nfs/dbraw/zinc/39/88/52/188398852.db2.gz ZSIINAIHNCVOEH-CYBMUJFWSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000294067912 188391948 /nfs/dbraw/zinc/39/19/48/188391948.db2.gz LIRZJDXHXZZCKB-BDAKNGLRSA-N 0 1 229.283 2.043 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000293917852 188392414 /nfs/dbraw/zinc/39/24/14/188392414.db2.gz CUOOTVDZERNYIW-UWVGGRQHSA-N 0 1 243.310 2.352 20 0 BEADMN CC1(C)C[C@@H](C(=O)NOC2CCC2)C(C)(C)O1 ZINC000529445841 353500392 /nfs/dbraw/zinc/50/03/92/353500392.db2.gz SEBHNIGUWAGUIX-JTQLQIEISA-N 0 1 241.331 2.180 20 0 BEADMN OC[C@H]1CCCN1Cc1sccc1Cl ZINC000194322586 353644568 /nfs/dbraw/zinc/64/45/68/353644568.db2.gz IAURRQBFJZJUTO-MRVPVSSYSA-N 0 1 231.748 2.358 20 0 BEADMN OC[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000194368085 353649319 /nfs/dbraw/zinc/64/93/19/353649319.db2.gz GWQKLGWQAAMDGW-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN CCC[C@@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CC1(C)C ZINC000398423919 363237321 /nfs/dbraw/zinc/23/73/21/363237321.db2.gz WMMNNFCDZHXJDN-WDEREUQCSA-N 0 1 222.336 2.109 20 0 BEADMN CCC[C@@H]([NH2+]Cc1cnn[n-]1)[C@H]1CC1(C)C ZINC000398423916 363237399 /nfs/dbraw/zinc/23/73/99/363237399.db2.gz WMMNNFCDZHXJDN-GHMZBOCLSA-N 0 1 222.336 2.109 20 0 BEADMN CC[N@@H+](CC(=O)N1CCC[C@H]1C(C)C)C1CC1 ZINC000343317815 353662163 /nfs/dbraw/zinc/66/21/63/353662163.db2.gz GVBWUSKIXMPLQS-ZDUSSCGKSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(=O)N1CCC[C@H]1C(C)C)C1CC1 ZINC000343317815 353662168 /nfs/dbraw/zinc/66/21/68/353662168.db2.gz GVBWUSKIXMPLQS-ZDUSSCGKSA-N 0 1 238.375 2.118 20 0 BEADMN Fc1cccc2c1CCN(C[C@@H]1CCCO1)C2 ZINC000152869946 181005444 /nfs/dbraw/zinc/00/54/44/181005444.db2.gz GCWVDOHIFFVLAS-LBPRGKRZSA-N 0 1 235.302 2.363 20 0 BEADMN CCC[C@H](C)N(C)C(=O)CN(CC)C1CC1 ZINC000343326968 353721182 /nfs/dbraw/zinc/72/11/82/353721182.db2.gz ZLCXEDYZAQAAAL-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN Fc1cccc2c1CN(CC1CC1)CCO2 ZINC000374549158 181006529 /nfs/dbraw/zinc/00/65/29/181006529.db2.gz DQHWBCZJFVNISH-UHFFFAOYSA-N 0 1 221.275 2.430 20 0 BEADMN C[C@H](C[C@H]1CCCC(=O)N1)NC(C)(C)C(F)F ZINC000639118648 353749657 /nfs/dbraw/zinc/74/96/57/353749657.db2.gz DHRAATBRJDJLMG-RKDXNWHRSA-N 0 1 248.317 2.067 20 0 BEADMN C[C@@H](C[C@H]1CCCC(=O)N1)NC(C)(C)C(F)F ZINC000639118644 353752095 /nfs/dbraw/zinc/75/20/95/353752095.db2.gz DHRAATBRJDJLMG-DTWKUNHWSA-N 0 1 248.317 2.067 20 0 BEADMN COc1cncc(CN2CC(C(C)C)C2)c1C ZINC000639118777 353760219 /nfs/dbraw/zinc/76/02/19/353760219.db2.gz RKNCMQOHBUZEQH-UHFFFAOYSA-N 0 1 234.343 2.486 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@H](c1nccn1C)C1CC1 ZINC000639120171 353767239 /nfs/dbraw/zinc/76/72/39/353767239.db2.gz GANADAMYMKXWAS-UMNHJUIQSA-N 0 1 219.332 2.354 20 0 BEADMN Fc1ccccc1-c1noc(CNCC2CC2)n1 ZINC000054444412 181009833 /nfs/dbraw/zinc/00/98/33/181009833.db2.gz PDGCNRMBDFMMLD-UHFFFAOYSA-N 0 1 247.273 2.375 20 0 BEADMN CCC/C=C/C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001640359983 1172167989 /nfs/dbraw/zinc/16/79/89/1172167989.db2.gz LFLHVPZXHPGXPM-UVHIWXSVSA-N 0 1 238.375 2.284 20 0 BEADMN CC(=O)c1ccc(N[C@H]2CCCN(C)[C@@H]2C)nc1 ZINC000343500858 353914744 /nfs/dbraw/zinc/91/47/44/353914744.db2.gz FTZJINYGFVQDCP-MFKMUULPSA-N 0 1 247.342 2.179 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000343503785 353915966 /nfs/dbraw/zinc/91/59/66/353915966.db2.gz HEBOTLOLAVDYHT-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@H](C)[C@H](C)C1 ZINC000343736810 353968468 /nfs/dbraw/zinc/96/84/68/353968468.db2.gz HZZUWPUJEPGJKQ-PHIMTYICSA-N 0 1 236.363 2.084 20 0 BEADMN Cc1csc(CNC(=O)c2[nH]nc(C)c2C)c1 ZINC000334543264 353978995 /nfs/dbraw/zinc/97/89/95/353978995.db2.gz DPXKLBKHXOSJBN-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc(Cl)cn1 ZINC000334549491 353984495 /nfs/dbraw/zinc/98/44/95/353984495.db2.gz FZDSVVOCERAYLO-AOOOYVTPSA-N 0 1 227.739 2.409 20 0 BEADMN CC1=CCC[N@@H+](CCc2cncs2)C1 ZINC000334547582 353985490 /nfs/dbraw/zinc/98/54/90/353985490.db2.gz GDHASPJWZIANRC-UHFFFAOYSA-N 0 1 208.330 2.338 20 0 BEADMN C[C@@H](C(=O)Nc1ccncc1)N1CCCCCC1 ZINC000074187733 354040668 /nfs/dbraw/zinc/04/06/68/354040668.db2.gz IAFQBTGVNIXFGP-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN Cc1nc([C@@H](C)N2CCCC3(CC3)C2)n[nH]1 ZINC000334556248 354001782 /nfs/dbraw/zinc/00/17/82/354001782.db2.gz NCWLUTLUPHKHFN-SECBINFHSA-N 0 1 220.320 2.050 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@H](C)CC2)[nH]1 ZINC000334556054 354001829 /nfs/dbraw/zinc/00/18/29/354001829.db2.gz KGBACSRVRRCWHB-VHSXEESVSA-N 0 1 222.336 2.296 20 0 BEADMN CO[C@H](C)CN(C)[C@H](C)c1cnc(C)nc1C ZINC000639165045 354010492 /nfs/dbraw/zinc/01/04/92/354010492.db2.gz BBIOFLGQLGUBRR-MWLCHTKSSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)c1nnc(CN2CC[C@H](C3CC3)C2)o1 ZINC000343997167 354065256 /nfs/dbraw/zinc/06/52/56/354065256.db2.gz AGDQXEPWWPCZDQ-NSHDSACASA-N 0 1 235.331 2.425 20 0 BEADMN CCC(CC)N(CC)Cc1ncnn1CCF ZINC000344015995 354078852 /nfs/dbraw/zinc/07/88/52/354078852.db2.gz DRIJSRUCJORKLI-UHFFFAOYSA-N 0 1 242.342 2.258 20 0 BEADMN CCC(CC)N(CC)Cc1nnnn1C1CC1 ZINC000344015955 354079283 /nfs/dbraw/zinc/07/92/83/354079283.db2.gz DJFQRWYZVVYNKU-UHFFFAOYSA-N 0 1 237.351 2.019 20 0 BEADMN C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CC(C)(C)C1 ZINC000344023717 354084565 /nfs/dbraw/zinc/08/45/65/354084565.db2.gz BEDKNIIETWGERW-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)CN(CC)C1CC1 ZINC000344038242 354103224 /nfs/dbraw/zinc/10/32/24/354103224.db2.gz REOLQLBYCLBYOB-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000334561995 354116640 /nfs/dbraw/zinc/11/66/40/354116640.db2.gz SLCGQZDXNSLRIZ-MWLCHTKSSA-N 0 1 222.336 2.296 20 0 BEADMN CCn1nc(C)c(CNCc2cccn2C)c1C ZINC000344099897 354119479 /nfs/dbraw/zinc/11/94/79/354119479.db2.gz SWFOPNAQNCDHFY-UHFFFAOYSA-N 0 1 246.358 2.148 20 0 BEADMN CC(C)(C)[C@H](CCO)NCc1cscn1 ZINC000230891952 363327436 /nfs/dbraw/zinc/32/74/36/363327436.db2.gz JDNCVVWZDHZUHC-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000344220401 354182210 /nfs/dbraw/zinc/18/22/10/354182210.db2.gz QNBKKOWIPSBPCL-AWEZNQCLSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ncc([C@@H](C)N(C)[C@@H]2CCCOC2)c(C)n1 ZINC000639175566 354197412 /nfs/dbraw/zinc/19/74/12/354197412.db2.gz YWWVDNLOEVBOGI-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334581003 354198834 /nfs/dbraw/zinc/19/88/34/354198834.db2.gz UMQMVVOCCVFDID-UWVGGRQHSA-N 0 1 236.363 2.475 20 0 BEADMN COc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000334599802 354235064 /nfs/dbraw/zinc/23/50/64/354235064.db2.gz PLCVOYNJOQXTKP-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN Cc1c[nH]nc1CN1CC(C)=C[C@H](C)C1 ZINC000334599677 354235442 /nfs/dbraw/zinc/23/54/42/354235442.db2.gz QXFDFQBZYNRKJB-VIFPVBQESA-N 0 1 205.305 2.116 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)C[C@@H]2CC)n[nH]1 ZINC000334616628 354303717 /nfs/dbraw/zinc/30/37/17/354303717.db2.gz NUYBVPXURHANDI-ONGXEEELSA-N 0 1 235.331 2.233 20 0 BEADMN c1c[nH]c(CN2CCCc3ccccc3CC2)n1 ZINC000334618299 354306078 /nfs/dbraw/zinc/30/60/78/354306078.db2.gz FCWHXQUPMOQRDR-UHFFFAOYSA-N 0 1 241.338 2.401 20 0 BEADMN C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCc1ccccc1 ZINC000178709452 366155651 /nfs/dbraw/zinc/15/56/51/366155651.db2.gz YNEFOCPDFXHCHC-ZDUSSCGKSA-N 0 1 248.370 2.028 20 0 BEADMN CO[C@H]1CCC[C@H]1Sc1nc(C2CC2)n[nH]1 ZINC000344728067 354345425 /nfs/dbraw/zinc/34/54/25/354345425.db2.gz HUCSFQKKNKVSAV-DTWKUNHWSA-N 0 1 239.344 2.342 20 0 BEADMN CO[C@H]1CCC[C@H]1Sc1n[nH]c(C2CC2)n1 ZINC000344728067 354345427 /nfs/dbraw/zinc/34/54/27/354345427.db2.gz HUCSFQKKNKVSAV-DTWKUNHWSA-N 0 1 239.344 2.342 20 0 BEADMN CC[C@@H](C)CN(C)[C@H](C)c1nc(C)no1 ZINC000578033370 366198180 /nfs/dbraw/zinc/19/81/80/366198180.db2.gz PWAYOEMTIGFZBV-RKDXNWHRSA-N 0 1 211.309 2.417 20 0 BEADMN c1cnc(CN2CC3(CCC3)[C@H]2C2CC2)cn1 ZINC000334645724 354435062 /nfs/dbraw/zinc/43/50/62/354435062.db2.gz JKLLZDFWAPHWNN-CYBMUJFWSA-N 0 1 229.327 2.241 20 0 BEADMN CC1(C)CN(Cc2cnccn2)[C@@H]1C1CC1 ZINC000334645780 354435173 /nfs/dbraw/zinc/43/51/73/354435173.db2.gz KMOPOSOZGZVNQC-GFCCVEGCSA-N 0 1 217.316 2.097 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ncc(C)cn1 ZINC000334642030 354397863 /nfs/dbraw/zinc/39/78/63/354397863.db2.gz BETGYKASTOIXJX-LLVKDONJSA-N 0 1 205.305 2.159 20 0 BEADMN CC[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC000334642030 354397864 /nfs/dbraw/zinc/39/78/64/354397864.db2.gz BETGYKASTOIXJX-LLVKDONJSA-N 0 1 205.305 2.159 20 0 BEADMN C[N@H+](CC(=O)[O-])C[C@@H]1CCCC(C)(C)C1 ZINC000578045815 366202427 /nfs/dbraw/zinc/20/24/27/366202427.db2.gz UQDQGBYYXHFJSJ-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@H](C3CC3)C2)[nH]1 ZINC000334643736 354400674 /nfs/dbraw/zinc/40/06/74/354400674.db2.gz KLYGQEIHZKYMTK-SKDRFNHKSA-N 0 1 234.347 2.296 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@@H](C3CC3)C2)[nH]1 ZINC000334643735 354400854 /nfs/dbraw/zinc/40/08/54/354400854.db2.gz KLYGQEIHZKYMTK-JOYOIKCWSA-N 0 1 234.347 2.296 20 0 BEADMN C[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000334669445 354410074 /nfs/dbraw/zinc/41/00/74/354410074.db2.gz VAHCJEGDVDPBNZ-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN CC[C@@H]1CCCN1Cc1nccc(C)n1 ZINC000334673455 354416142 /nfs/dbraw/zinc/41/61/42/354416142.db2.gz ZWYOAYXDOUKXMX-LLVKDONJSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1c[nH]nc1CN1CCSC[C@@H]1C1CC1 ZINC000334679640 354425340 /nfs/dbraw/zinc/42/53/40/354425340.db2.gz SJAYGPQUIVUVKT-GFCCVEGCSA-N 0 1 237.372 2.046 20 0 BEADMN CC[C@@]1(C)COCCN1Cc1ccncc1C ZINC000334654870 354448616 /nfs/dbraw/zinc/44/86/16/354448616.db2.gz HMAMOLHRRSYIIH-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CCc1cnc(C[N@H+]2CC[C@H](O)C2(C)C)s1 ZINC000334748044 354472524 /nfs/dbraw/zinc/47/25/24/354472524.db2.gz FBFLFZKUBUCPRX-JTQLQIEISA-N 0 1 240.372 2.051 20 0 BEADMN CCc1cnc(CN2CC[C@H](O)C2(C)C)s1 ZINC000334748044 354472527 /nfs/dbraw/zinc/47/25/27/354472527.db2.gz FBFLFZKUBUCPRX-JTQLQIEISA-N 0 1 240.372 2.051 20 0 BEADMN CO[C@@H](C)C[N@H+]1CCOCC12CCCCC2 ZINC000334690702 354479265 /nfs/dbraw/zinc/47/92/65/354479265.db2.gz RKTJTKCDXSXDKP-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2occc2C)C[C@H]1C ZINC000334738454 354541242 /nfs/dbraw/zinc/54/12/42/354541242.db2.gz LWVAAWSDNRLFHX-VXGBXAGGSA-N 0 1 223.316 2.445 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC000334738435 354541330 /nfs/dbraw/zinc/54/13/30/354541330.db2.gz LMBOFUVYLIGWMX-NOZJJQNGSA-N 0 1 238.331 2.148 20 0 BEADMN Cc1nnc(NC(=O)C2=CCC(C)(C)CC2)[nH]1 ZINC000334695842 354487035 /nfs/dbraw/zinc/48/70/35/354487035.db2.gz IDLBSWQCONGMQJ-UHFFFAOYSA-N 0 1 234.303 2.188 20 0 BEADMN Cc1n[nH]c(NC(=O)C2=CCC(C)(C)CC2)n1 ZINC000334695842 354487038 /nfs/dbraw/zinc/48/70/38/354487038.db2.gz IDLBSWQCONGMQJ-UHFFFAOYSA-N 0 1 234.303 2.188 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000334709062 354504179 /nfs/dbraw/zinc/50/41/79/354504179.db2.gz YMEWTRCBFNSRDF-GXSJLCMTSA-N 0 1 232.331 2.057 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2C[C@]2(C)C(C)C)c1C ZINC000334715327 354513166 /nfs/dbraw/zinc/51/31/66/354513166.db2.gz HLWADPIFJUPNCG-GXFFZTMASA-N 0 1 235.331 2.191 20 0 BEADMN C[C@@H](O)CCN1CCc2c(Cl)cccc2C1 ZINC000334798921 354553738 /nfs/dbraw/zinc/55/37/38/354553738.db2.gz CXNDNKALFORLGJ-SNVBAGLBSA-N 0 1 239.746 2.469 20 0 BEADMN Cc1cc(CN2CCC(C(F)F)CC2)ncn1 ZINC000334762823 354582825 /nfs/dbraw/zinc/58/28/25/354582825.db2.gz UOUNXUMQKPARBE-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN Cc1cc(CN(C(C)C)[C@@H]2CCOC2)sn1 ZINC000639195545 354595857 /nfs/dbraw/zinc/59/58/57/354595857.db2.gz JGWHPTOAPUZVGX-LLVKDONJSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc([C@@H](C)N2CC(C3CC3)C2)c(C)n1 ZINC000639195287 354595859 /nfs/dbraw/zinc/59/58/59/354595859.db2.gz GSQIXCLTPOAVDR-SNVBAGLBSA-N 0 1 231.343 2.496 20 0 BEADMN Nc1c(F)cccc1CN1CC(C2CC2)C1 ZINC000639195801 354597275 /nfs/dbraw/zinc/59/72/75/354597275.db2.gz KAQAUPYDDTZWRM-UHFFFAOYSA-N 0 1 220.291 2.250 20 0 BEADMN CCN(Cc1cnc(OC)s1)C[C@H](C)OC ZINC000639196270 354597862 /nfs/dbraw/zinc/59/78/62/354597862.db2.gz JCMZFGUJDMALOZ-VIFPVBQESA-N 0 1 244.360 2.009 20 0 BEADMN Cn1ccnc1[C@@H](C1CC1)N1CC(C2CC2)C1 ZINC000639197435 354601049 /nfs/dbraw/zinc/60/10/49/354601049.db2.gz UVZKEVJBHIELGA-CYBMUJFWSA-N 0 1 231.343 2.213 20 0 BEADMN c1cc(CN2CC3(C2)CCOCC3)cs1 ZINC000334795309 354549399 /nfs/dbraw/zinc/54/93/99/354549399.db2.gz GPBZOFLROAOJCS-UHFFFAOYSA-N 0 1 223.341 2.361 20 0 BEADMN C[C@@H]1CCN(Cc2ncccn2)[C@H](C)C1 ZINC000335091586 354627731 /nfs/dbraw/zinc/62/77/31/354627731.db2.gz DQWHKAZFBIDVRT-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN CCc1nc(SCc2cccc(C)n2)n[nH]1 ZINC000345400382 354650136 /nfs/dbraw/zinc/65/01/36/354650136.db2.gz KEZAHZKJIYJMSF-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2cccc(C)n2)n1 ZINC000345400382 354650137 /nfs/dbraw/zinc/65/01/37/354650137.db2.gz KEZAHZKJIYJMSF-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc(CCOC)s1 ZINC000639202625 354607342 /nfs/dbraw/zinc/60/73/42/354607342.db2.gz HFRITTGEHNBLBF-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CC[C@H]1CCN1[C@@H](c1nccn1C)C1CC1 ZINC000639202773 354607707 /nfs/dbraw/zinc/60/77/07/354607707.db2.gz KDDMWNYXOONOCG-NWDGAFQWSA-N 0 1 219.332 2.356 20 0 BEADMN C=Cc1ccc(C(=O)NCc2cn[nH]c2C)cc1 ZINC000345280190 354614876 /nfs/dbraw/zinc/61/48/76/354614876.db2.gz LNJXPRGYAHXEPO-UHFFFAOYSA-N 0 1 241.294 2.291 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)[C@H]2CCCN2C)c1 ZINC000335106763 354691615 /nfs/dbraw/zinc/69/16/15/354691615.db2.gz DJBMFXKUFKJQFS-GXTWGEPZSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc3[nH]cnc3cc2F)[C@H]1C ZINC000335108292 354694227 /nfs/dbraw/zinc/69/42/27/354694227.db2.gz FSVGGGUASJBLEQ-SFYZADRCSA-N 0 1 247.273 2.182 20 0 BEADMN COC[C@H]1CCN1Cc1c(C)cccc1OC ZINC000639205744 354668141 /nfs/dbraw/zinc/66/81/41/354668141.db2.gz BLESQUDNGVEICP-GFCCVEGCSA-N 0 1 235.327 2.224 20 0 BEADMN CCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000345438261 354668918 /nfs/dbraw/zinc/66/89/18/354668918.db2.gz LYWJAMZNARZLEF-UHFFFAOYSA-N 0 1 246.314 2.081 20 0 BEADMN COC(=O)[C@H](C)[C@@H](NCCF)c1ccccc1 ZINC000345764318 354756479 /nfs/dbraw/zinc/75/64/79/354756479.db2.gz FEUHXYUPWPFMMQ-ZYHUDNBSSA-N 0 1 239.290 2.096 20 0 BEADMN CC(C)n1cc(CN2CC[C@H](C)[C@H]2C)nn1 ZINC000335134132 354781893 /nfs/dbraw/zinc/78/18/93/354781893.db2.gz PRJRTRDSMRQOGT-WDEREUQCSA-N 0 1 222.336 2.089 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H](C)[C@H]2C)nn1 ZINC000335134129 354782083 /nfs/dbraw/zinc/78/20/83/354782083.db2.gz PRJRTRDSMRQOGT-GHMZBOCLSA-N 0 1 222.336 2.089 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC2CC2)C[C@H]1C ZINC000345961701 354821644 /nfs/dbraw/zinc/82/16/44/354821644.db2.gz OYPJGOUNAKOODC-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](N[C@@H](C)C[C@@H]1CCCC(=O)N1)C(F)F ZINC000639214430 354794330 /nfs/dbraw/zinc/79/43/30/354794330.db2.gz PNLRGKYXUAZEIL-GUBZILKMSA-N 0 1 248.317 2.067 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCC(=O)[O-])[C@H](C)C1 ZINC000051733262 491068548 /nfs/dbraw/zinc/06/85/48/491068548.db2.gz BGSDGNBLVJXYMW-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN c1csc(CN2CC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000335944681 134019617 /nfs/dbraw/zinc/01/96/17/134019617.db2.gz ANJXXDZZBRLFPT-WDEREUQCSA-N 0 1 238.356 2.002 20 0 BEADMN C[C@@H](N[C@@H]1C=CCCC1)c1ccn(C)n1 ZINC000335142023 354846789 /nfs/dbraw/zinc/84/67/89/354846789.db2.gz OFBHWXOGFZIVKI-GHMZBOCLSA-N 0 1 205.305 2.179 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000335145198 354853824 /nfs/dbraw/zinc/85/38/24/354853824.db2.gz CTPNQLKNZIPOMO-AOOOYVTPSA-N 0 1 217.316 2.337 20 0 BEADMN CCOC[C@@H](NCc1nccs1)C(C)C ZINC000233737299 363406895 /nfs/dbraw/zinc/40/68/95/363406895.db2.gz JEWRTZGULAKJNU-SNVBAGLBSA-N 0 1 228.361 2.294 20 0 BEADMN CC(C)c1nnc(CN[C@H](C)[C@@H]2CC2(F)F)[nH]1 ZINC000639220844 354884649 /nfs/dbraw/zinc/88/46/49/354884649.db2.gz ZARPWLFPNWFNNM-SFYZADRCSA-N 0 1 244.289 2.061 20 0 BEADMN CCOC(=O)[C@H](C)N(CCC1CC1)C1CC1 ZINC000346385542 354906883 /nfs/dbraw/zinc/90/68/83/354906883.db2.gz SSDUWGMVEBXPQY-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN COCC(C)(C)N(C)Cc1cnc(OC)s1 ZINC000639220675 354881571 /nfs/dbraw/zinc/88/15/71/354881571.db2.gz ISJOGEVMGDQDJX-UHFFFAOYSA-N 0 1 244.360 2.009 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000335172673 354938116 /nfs/dbraw/zinc/93/81/16/354938116.db2.gz BHNOTIYBXDRRMJ-ZYHUDNBSSA-N 0 1 205.305 2.093 20 0 BEADMN CSCCN(C)Cc1ccc(F)cn1 ZINC000346443676 354940929 /nfs/dbraw/zinc/94/09/29/354940929.db2.gz XWJUZRRUHRYUNW-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN CCCC(C)(C)CC(=O)NCCN1CCC1 ZINC000346417455 354951798 /nfs/dbraw/zinc/95/17/98/354951798.db2.gz ORFAQCKOLPAIRD-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CCCN1C ZINC000346472812 354955084 /nfs/dbraw/zinc/95/50/84/354955084.db2.gz LADCYSUIUIHQPO-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccccc1CN(CC(=O)N(C)C)C1CC1 ZINC000346493455 354959648 /nfs/dbraw/zinc/95/96/48/354959648.db2.gz LBGKFCURRFALQH-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cncs1 ZINC000449756775 202022051 /nfs/dbraw/zinc/02/20/51/202022051.db2.gz BVSJEKVKQKTHOL-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CCN(Cc1cccs1)C(=O)Cc1ccn[nH]1 ZINC000121029251 355004043 /nfs/dbraw/zinc/00/40/43/355004043.db2.gz IKCPAOLGKOSMPL-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN Cc1c(CNc2ccc3nc[nH]c3c2)cnn1C ZINC000346670756 355008294 /nfs/dbraw/zinc/00/82/94/355008294.db2.gz UWKFKASDDYCTJC-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN C([C@@H]1CCCCO1)N1CCO[C@H](C2CCC2)C1 ZINC000335188785 355019427 /nfs/dbraw/zinc/01/94/27/355019427.db2.gz AAPOXCUOHBQCRZ-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@@H]1C(F)F ZINC000335180729 355077916 /nfs/dbraw/zinc/07/79/16/355077916.db2.gz PQVLAJDLKDYULA-SNVBAGLBSA-N 0 1 229.274 2.338 20 0 BEADMN C[C@@H](CC(C)(C)O)NCc1nc2ccccc2o1 ZINC000639226356 355083518 /nfs/dbraw/zinc/08/35/18/355083518.db2.gz WINKTAOUTDGBOH-JTQLQIEISA-N 0 1 248.326 2.467 20 0 BEADMN COc1ncccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000335218552 355057340 /nfs/dbraw/zinc/05/73/40/355057340.db2.gz QXMUSIRPGDHPDC-AAEUAGOBSA-N 0 1 232.327 2.465 20 0 BEADMN COC[C@H]1CCCCN1Cc1cncs1 ZINC000449756776 202024264 /nfs/dbraw/zinc/02/42/64/202024264.db2.gz BVSJEKVKQKTHOL-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CCc1nnc(S[C@@H]2CCOC(C)(C)C2)[nH]1 ZINC000335249312 355168244 /nfs/dbraw/zinc/16/82/44/355168244.db2.gz MKZATQXSKFUFTR-MRVPVSSYSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCOC(C)(C)C2)n1 ZINC000335249312 355168245 /nfs/dbraw/zinc/16/82/45/355168245.db2.gz MKZATQXSKFUFTR-MRVPVSSYSA-N 0 1 241.360 2.417 20 0 BEADMN CC(C)OC[C@H]1CN(CCCCCF)CCO1 ZINC000366960753 355138216 /nfs/dbraw/zinc/13/82/16/355138216.db2.gz HUDFKCVQBHGVNH-CYBMUJFWSA-N 0 1 247.354 2.252 20 0 BEADMN CC[C@]1(C)COCCN1CCOC1CCC1 ZINC000346986181 355187588 /nfs/dbraw/zinc/18/75/88/355187588.db2.gz DFPVJATZWCYNFO-CYBMUJFWSA-N 0 1 227.348 2.056 20 0 BEADMN CC[C@@]1(C)COCCN1CCOC1CCC1 ZINC000346986182 355187678 /nfs/dbraw/zinc/18/76/78/355187678.db2.gz DFPVJATZWCYNFO-ZDUSSCGKSA-N 0 1 227.348 2.056 20 0 BEADMN CC1(C)C[C@H](O)CCN(Cc2ccns2)C1 ZINC000639235785 355220782 /nfs/dbraw/zinc/22/07/82/355220782.db2.gz VAPHKXNEFMCBJA-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN CC1(C)C[C@@H](O)CCN(Cc2ccns2)C1 ZINC000639235783 355220860 /nfs/dbraw/zinc/22/08/60/355220860.db2.gz VAPHKXNEFMCBJA-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213755 355221722 /nfs/dbraw/zinc/22/17/22/355221722.db2.gz CLGVOLMIYDPPAF-MWGHHZFTSA-N 0 1 247.342 2.085 20 0 BEADMN COc1cccnc1CN[C@@H]1CS[C@H](C)C1 ZINC000639239790 355223759 /nfs/dbraw/zinc/22/37/59/355223759.db2.gz FHJHQLLDPYOQRS-ZJUUUORDSA-N 0 1 238.356 2.074 20 0 BEADMN O[C@H](CNCc1nc2ccccc2o1)C1CCC1 ZINC000639240550 355224504 /nfs/dbraw/zinc/22/45/04/355224504.db2.gz UDNLPWQEJQOMGZ-GFCCVEGCSA-N 0 1 246.310 2.078 20 0 BEADMN CSCCCSCCN1CCOC[C@@H]1C ZINC000413005333 191338488 /nfs/dbraw/zinc/33/84/88/191338488.db2.gz BBTFUGPXCMKGLU-NSHDSACASA-N 0 1 249.445 2.193 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cn(C(C)C)nn1 ZINC000347588399 355246932 /nfs/dbraw/zinc/24/69/32/355246932.db2.gz NEYREVBSWNPFGQ-LLVKDONJSA-N 0 1 224.352 2.337 20 0 BEADMN CC[C@H](NCc1nc2ccccc2o1)[C@H](C)O ZINC000639236610 355219355 /nfs/dbraw/zinc/21/93/55/355219355.db2.gz QUJQIIQIVLYCSD-UWVGGRQHSA-N 0 1 234.299 2.077 20 0 BEADMN C[C@@H]1C[C@H](CN=c2[nH]c3ccccc3[nH]2)[C@H](C)O1 ZINC000413532704 191392343 /nfs/dbraw/zinc/39/23/43/191392343.db2.gz NDQSIZDVFRERSU-OUAUKWLOSA-N 0 1 245.326 2.210 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000659786698 491076567 /nfs/dbraw/zinc/07/65/67/491076567.db2.gz XWABZVWOZIOIRM-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN CCc1ccc(CN(CCOC)C2CC2)cn1 ZINC000347601902 355253403 /nfs/dbraw/zinc/25/34/03/355253403.db2.gz BIWVTJIYLOOWII-UHFFFAOYSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)n2)CC12CCC2 ZINC000335287673 355257660 /nfs/dbraw/zinc/25/76/60/355257660.db2.gz CEQNWZFZCNXZFF-LBPRGKRZSA-N 0 1 233.359 2.432 20 0 BEADMN C[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000084093449 355288730 /nfs/dbraw/zinc/28/87/30/355288730.db2.gz OKLDCZVYUFGIPU-JTQLQIEISA-N 0 1 225.313 2.043 20 0 BEADMN COC1(CN[C@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000414100535 191432470 /nfs/dbraw/zinc/43/24/70/191432470.db2.gz AYIHSNBYGKAELM-LLVKDONJSA-N 0 1 249.358 2.049 20 0 BEADMN CCn1ccc(CNC[C@H](CC(C)C)OC)n1 ZINC000639261293 355313410 /nfs/dbraw/zinc/31/34/10/355313410.db2.gz IVWPZICUYIKXGL-ZDUSSCGKSA-N 0 1 239.363 2.054 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1ccn(CC)n1)OC ZINC000639261874 355314626 /nfs/dbraw/zinc/31/46/26/355314626.db2.gz ODEBUTXSEZJGAP-YPMHNXCESA-N 0 1 239.363 2.054 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1ccn(CC)n1)OC ZINC000639261870 355314718 /nfs/dbraw/zinc/31/47/18/355314718.db2.gz ODEBUTXSEZJGAP-DGCLKSJQSA-N 0 1 239.363 2.054 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2cc(C3CC3)no2)O1 ZINC000639249694 355280183 /nfs/dbraw/zinc/28/01/83/355280183.db2.gz LBJFBJISYOIXAV-ONGXEEELSA-N 0 1 236.315 2.209 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2cc(C3CC3)no2)O1 ZINC000639249692 355280241 /nfs/dbraw/zinc/28/02/41/355280241.db2.gz LBJFBJISYOIXAV-KOLCDFICSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000335740261 355389715 /nfs/dbraw/zinc/38/97/15/355389715.db2.gz ZUMFRCZMTLLBNK-PSASIEDQSA-N 0 1 247.264 2.491 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC000583505227 355338227 /nfs/dbraw/zinc/33/82/27/355338227.db2.gz XGMZMEZARHIDHG-BXKDBHETSA-N 0 1 237.274 2.436 20 0 BEADMN CC[C@@H]1C[N@H+](CCC[C@H]2CCO2)C[C@H](CC)O1 ZINC000639275774 355352376 /nfs/dbraw/zinc/35/23/76/355352376.db2.gz WZUPVQZKLYGBNR-MJBXVCDLSA-N 0 1 241.375 2.445 20 0 BEADMN c1c(CN[C@H]2CC23CC3)onc1C1CC1 ZINC000639277367 355356890 /nfs/dbraw/zinc/35/68/90/355356890.db2.gz METHKOKGHKAOPJ-NSHDSACASA-N 0 1 204.273 2.194 20 0 BEADMN Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335778033 355404111 /nfs/dbraw/zinc/40/41/11/355404111.db2.gz AJCGOAYBDIFZCQ-QWHCGFSZSA-N 0 1 246.354 2.208 20 0 BEADMN CCc1ncc(CN2CC[C@@H]2CC)cn1 ZINC000414453038 191513260 /nfs/dbraw/zinc/51/32/60/191513260.db2.gz OHIAKVAQGGIDAT-NSHDSACASA-N 0 1 205.305 2.023 20 0 BEADMN CC(C)[C@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000335783777 355431991 /nfs/dbraw/zinc/43/19/91/355431991.db2.gz PLXJDAFAKUQJBC-QWHCGFSZSA-N 0 1 241.375 2.301 20 0 BEADMN CC(C)[C@@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000335783776 355432126 /nfs/dbraw/zinc/43/21/26/355432126.db2.gz PLXJDAFAKUQJBC-OLZOCXBDSA-N 0 1 241.375 2.301 20 0 BEADMN CCC1(C)CCN(Cc2ccn(C)n2)CC1 ZINC000335791323 355443749 /nfs/dbraw/zinc/44/37/49/355443749.db2.gz DDGZBMCHBWSGDY-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC1CC(C(C)(C)C)C1 ZINC000335797951 355455843 /nfs/dbraw/zinc/45/58/43/355455843.db2.gz HLQYVHQOFXECHR-HTAVTVPLSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCCN1C ZINC000335805264 355475552 /nfs/dbraw/zinc/47/55/52/355475552.db2.gz CHARKZAGJIUNRB-OLZOCXBDSA-N 0 1 238.375 2.262 20 0 BEADMN CC[N@@H+](CCOC)Cc1cc(C)ccc1OC ZINC000349852991 355484599 /nfs/dbraw/zinc/48/45/99/355484599.db2.gz GKEVHVHFDKYKQL-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2ccc3cncn3c2)C1 ZINC000335823966 355545499 /nfs/dbraw/zinc/54/54/99/355545499.db2.gz BHPITVZXFJZICI-JQWIXIFHSA-N 0 1 243.310 2.253 20 0 BEADMN CC[N@@H+](CCOC)Cc1cccc2c[nH]nc21 ZINC000349861641 355510591 /nfs/dbraw/zinc/51/05/91/355510591.db2.gz QQIRHTZPSUFJCJ-UHFFFAOYSA-N 0 1 233.315 2.031 20 0 BEADMN CC(C)OCC[C@H](O)CN1Cc2ccccc2C1 ZINC000349906110 355524128 /nfs/dbraw/zinc/52/41/28/355524128.db2.gz GKCADFJLMYMBTG-HNNXBMFYSA-N 0 1 249.354 2.178 20 0 BEADMN c1cc2cccc(CN3CCOCC3)c2[nH]1 ZINC000335849196 355593642 /nfs/dbraw/zinc/59/36/42/355593642.db2.gz JLHFVQFRBVVZLT-UHFFFAOYSA-N 0 1 216.284 2.000 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCCNC2=O)cc1C ZINC000335859686 355605868 /nfs/dbraw/zinc/60/58/68/355605868.db2.gz RKLOBJFMELSHEY-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cnc(CN[C@H](C)Cc2ccccn2)o1 ZINC000639298950 355614151 /nfs/dbraw/zinc/61/41/51/355614151.db2.gz BVSLPLAJGHRBSZ-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccncc1F ZINC000449761288 202026082 /nfs/dbraw/zinc/02/60/82/202026082.db2.gz WETMJOMJIUDPSK-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1CC(C)(C)C1 ZINC000583574055 355656705 /nfs/dbraw/zinc/65/67/05/355656705.db2.gz MVJSRPDEOOPGQK-SNVBAGLBSA-N 0 1 249.358 2.141 20 0 BEADMN C[C@]1(C2CC2)C[N@@H+](CCC[C@@H]2CCO2)CCO1 ZINC000639306013 355660964 /nfs/dbraw/zinc/66/09/64/355660964.db2.gz GIYDMEICCMONNJ-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN C=C/C=C\CC(=O)N1CCN([C@H](C)CC)CC1 ZINC001640789073 1172189904 /nfs/dbraw/zinc/18/99/04/1172189904.db2.gz HAMCEGDSXFDVIV-FMFIFOJESA-N 0 1 236.359 2.061 20 0 BEADMN Cc1ncc([C@@H](C)N(C)Cc2cnc[nH]2)c(C)n1 ZINC000639301433 355639361 /nfs/dbraw/zinc/63/93/61/355639361.db2.gz RPHJBVJEIGMERT-SNVBAGLBSA-N 0 1 245.330 2.010 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)sn1 ZINC000639319053 355712991 /nfs/dbraw/zinc/71/29/91/355712991.db2.gz BMOZOFFYKCSAQM-MNOVXSKESA-N 0 1 240.372 2.451 20 0 BEADMN C[C@H]1C[C@@H]1CN1Cc2ccccc2N(C)C(=O)C1 ZINC000623247707 355774799 /nfs/dbraw/zinc/77/47/99/355774799.db2.gz KWNZAMUVIJDAKJ-WCQYABFASA-N 0 1 244.338 2.121 20 0 BEADMN CCCCOCCN1CCO[C@@H]2CCC[C@H]21 ZINC000350662272 355738797 /nfs/dbraw/zinc/73/87/97/355738797.db2.gz SYQXDLWUYGEKHP-CHWSQXEVSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@@H](O)[C@@H](NCc1ccns1)c1ccccc1 ZINC000639332563 355759512 /nfs/dbraw/zinc/75/95/12/355759512.db2.gz NBZIQBHEOWOTIH-ZWNOBZJWSA-N 0 1 248.351 2.355 20 0 BEADMN COc1cc(CN[C@@H]2CC[C@@H](C)SC2)on1 ZINC000639326800 355732423 /nfs/dbraw/zinc/73/24/23/355732423.db2.gz UTONNMCXOCLFMN-RKDXNWHRSA-N 0 1 242.344 2.057 20 0 BEADMN Cc1cc(CN2CC(CC3CC3)C2)on1 ZINC000639339420 355781249 /nfs/dbraw/zinc/78/12/49/355781249.db2.gz BJHOEKDUNBUDAU-UHFFFAOYSA-N 0 1 206.289 2.215 20 0 BEADMN Cn1ncnc1CNCC[C@H]1CCCC1(C)C ZINC000639344173 355787796 /nfs/dbraw/zinc/78/77/96/355787796.db2.gz VPKOSTZRGBDQEM-LLVKDONJSA-N 0 1 236.363 2.121 20 0 BEADMN CCC(F)(F)CNCC1(COC)CCC1 ZINC000639349889 355796696 /nfs/dbraw/zinc/79/66/96/355796696.db2.gz UKCBCBAYNKDJEY-UHFFFAOYSA-N 0 1 221.291 2.438 20 0 BEADMN CCC(F)(F)CN[C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639350758 355798650 /nfs/dbraw/zinc/79/86/50/355798650.db2.gz OTKRIHNLAIPXCS-UWVGGRQHSA-N 0 1 248.317 2.069 20 0 BEADMN Oc1ccc([C@H]2CCN(Cc3ccon3)C2)cc1 ZINC000639356226 355810573 /nfs/dbraw/zinc/81/05/73/355810573.db2.gz FWXTWDHPNUDWLH-LBPRGKRZSA-N 0 1 244.294 2.370 20 0 BEADMN CC(C)(F)CNCc1cccc(F)c1N ZINC000639358691 355813533 /nfs/dbraw/zinc/81/35/33/355813533.db2.gz PUZVQTTVTXSBLV-UHFFFAOYSA-N 0 1 214.259 2.246 20 0 BEADMN CCC[C@H](CCO)NCc1nc2ccccc2o1 ZINC000639362725 355818703 /nfs/dbraw/zinc/81/87/03/355818703.db2.gz JVYPUKZIBZHNFE-LLVKDONJSA-N 0 1 248.326 2.469 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)CC2CCC2)c1 ZINC000608494758 355818834 /nfs/dbraw/zinc/81/88/34/355818834.db2.gz SBZAWEHDXYJHHQ-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN COCc1cc(CN[C@@H]2CCCC23CC3)no1 ZINC000639360987 355820365 /nfs/dbraw/zinc/82/03/65/355820365.db2.gz RSMUBHBZGPZNOE-GFCCVEGCSA-N 0 1 236.315 2.243 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2ncc[nH]2)CS1 ZINC000639370710 355863738 /nfs/dbraw/zinc/86/37/38/355863738.db2.gz GIFCXGQASUPAQX-NXEZZACHSA-N 0 1 225.361 2.029 20 0 BEADMN O=c1cc(CN2C3CCCC2CCC3)occ1O ZINC000608499556 355827875 /nfs/dbraw/zinc/82/78/75/355827875.db2.gz PBPOBPZAEMCZBI-UHFFFAOYSA-N 0 1 249.310 2.252 20 0 BEADMN COCc1ccc(CNCCC(F)(F)F)o1 ZINC000166722087 355830957 /nfs/dbraw/zinc/83/09/57/355830957.db2.gz XWMJWNIFVZFVHG-UHFFFAOYSA-N 0 1 237.221 2.468 20 0 BEADMN CCn1cncc1CN1CCC(CCF)CC1 ZINC000639376682 355902188 /nfs/dbraw/zinc/90/21/88/355902188.db2.gz UPZCPSSMXPOUJL-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN Cc1cc(CSc2nnc(C)[nH]2)sn1 ZINC001640822777 1172194152 /nfs/dbraw/zinc/19/41/52/1172194152.db2.gz BVEUFOGFEXIYNA-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1cc(CSc2nc(C)n[nH]2)sn1 ZINC001640822777 1172194156 /nfs/dbraw/zinc/19/41/56/1172194156.db2.gz BVEUFOGFEXIYNA-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(C3CC3)no2)[C@H](C)O1 ZINC000639378203 355911412 /nfs/dbraw/zinc/91/14/12/355911412.db2.gz RWCMYKSAYPPJRL-PTRXPTGYSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@@H]1C[C@H](NCc2nc3ccccc3o2)[C@@H](C)O1 ZINC000639378275 355912017 /nfs/dbraw/zinc/91/20/17/355912017.db2.gz SPTLAWRHLJZLFE-FOGDFJRCSA-N 0 1 246.310 2.483 20 0 BEADMN Cc1ccc2cc(CNC3(C)COC3)[nH]c2c1 ZINC000639380211 355916251 /nfs/dbraw/zinc/91/62/51/355916251.db2.gz BWHIIDIEUNCYBG-UHFFFAOYSA-N 0 1 230.311 2.355 20 0 BEADMN CCOc1ccc(CNC2(C)COC2)c(C)c1 ZINC000639380363 355916978 /nfs/dbraw/zinc/91/69/78/355916978.db2.gz DUKPYORXDZXOOK-UHFFFAOYSA-N 0 1 235.327 2.272 20 0 BEADMN CC1(NC/C=C\c2ccc(F)cc2F)COC1 ZINC000639380685 355918532 /nfs/dbraw/zinc/91/85/32/355918532.db2.gz JGLIDJPGCBSASW-IHWYPQMZSA-N 0 1 239.265 2.357 20 0 BEADMN CC1(NCc2ccc(OCC3CC3)cc2)COC1 ZINC000639380774 355919918 /nfs/dbraw/zinc/91/99/18/355919918.db2.gz KIXQSVZKBFFOBC-UHFFFAOYSA-N 0 1 247.338 2.354 20 0 BEADMN Cc1nc2ccc(CNC3(C)COC3)cc2s1 ZINC000639381014 355920850 /nfs/dbraw/zinc/92/08/50/355920850.db2.gz NICZWXBCTDAIPE-UHFFFAOYSA-N 0 1 248.351 2.483 20 0 BEADMN CC(C)Oc1cccc(CNC2(C)COC2)c1 ZINC000639381855 355924172 /nfs/dbraw/zinc/92/41/72/355924172.db2.gz JWCVANRRWBFQCV-UHFFFAOYSA-N 0 1 235.327 2.352 20 0 BEADMN Cc1ncc([C@@H](C)NC2CSC2)s1 ZINC000639383158 355937073 /nfs/dbraw/zinc/93/70/73/355937073.db2.gz SHAKXPYAOSWRSK-ZCFIWIBFSA-N 0 1 214.359 2.218 20 0 BEADMN CCn1nccc1CN1CCC(CCF)CC1 ZINC000639376398 355899729 /nfs/dbraw/zinc/89/97/29/355899729.db2.gz HLPKVCPWENXWOE-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)C[C@H]1O ZINC000351507409 356005791 /nfs/dbraw/zinc/00/57/91/356005791.db2.gz YOEATEKVIXTNCJ-YMTOWFKASA-N 0 1 246.285 2.191 20 0 BEADMN CCn1nccc1CN1CCC(C)(F)CC1 ZINC000639388519 356007071 /nfs/dbraw/zinc/00/70/71/356007071.db2.gz FVDRXZCXGMWKIC-UHFFFAOYSA-N 0 1 225.311 2.227 20 0 BEADMN CCCCOCCN1CCO[C@@H](C(C)C)C1 ZINC000351198651 355959820 /nfs/dbraw/zinc/95/98/20/355959820.db2.gz GIMUPURSVANKNU-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN CCc1noc(CN2C[C@@H](C)C[C@H]2CC)n1 ZINC000608752489 355966312 /nfs/dbraw/zinc/96/63/12/355966312.db2.gz SNDLWZMFEGKDPF-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN C(CC1CCCC1)CN1CCc2nn[nH]c2C1 ZINC000351632228 356037105 /nfs/dbraw/zinc/03/71/05/356037105.db2.gz IWUKBUQQTTTXKG-UHFFFAOYSA-N 0 1 234.347 2.133 20 0 BEADMN COCCN(Cc1ccon1)[C@@H]1CC[C@@H](C)C1 ZINC000351645760 356043116 /nfs/dbraw/zinc/04/31/16/356043116.db2.gz DZOQJURQNQAZAB-DGCLKSJQSA-N 0 1 238.331 2.312 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CC ZINC000216452366 356061710 /nfs/dbraw/zinc/06/17/10/356061710.db2.gz NRGCZGSDYUDMKE-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN C=Cn1cc(CNc2nccn2CC(C)C)cn1 ZINC000351542472 356012711 /nfs/dbraw/zinc/01/27/11/356012711.db2.gz DCHVGAZVXQUZPL-UHFFFAOYSA-N 0 1 245.330 2.448 20 0 BEADMN C[C@@H](F)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000351735629 356074719 /nfs/dbraw/zinc/07/47/19/356074719.db2.gz MUAWYDVURAWTTC-NXEZZACHSA-N 0 1 213.300 2.161 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCCSCC1 ZINC000351737553 356076384 /nfs/dbraw/zinc/07/63/84/356076384.db2.gz UIWSKTUNSSDMLL-NSHDSACASA-N 0 1 245.388 2.013 20 0 BEADMN CC1(C)CN(Cc2ccnn2-c2ccncc2)C1 ZINC000639393614 356080278 /nfs/dbraw/zinc/08/02/78/356080278.db2.gz PJYYPPFAPXOBKQ-UHFFFAOYSA-N 0 1 242.326 2.109 20 0 BEADMN CCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000351797996 356081858 /nfs/dbraw/zinc/08/18/58/356081858.db2.gz JAIHRKCHRKWILT-UHFFFAOYSA-N 0 1 244.298 2.002 20 0 BEADMN CN1c2ccccc2CN(CCC2CC2)CC1=O ZINC000623259206 356082262 /nfs/dbraw/zinc/08/22/62/356082262.db2.gz USLHBRODBJFHAZ-UHFFFAOYSA-N 0 1 244.338 2.265 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351821820 356090726 /nfs/dbraw/zinc/09/07/26/356090726.db2.gz BMOJHTHQPHFXEG-KKFJDGPESA-N 0 1 241.281 2.338 20 0 BEADMN CCn1nc(C)c(CN2CC(C)(C)C2)c1C ZINC000639402359 356176231 /nfs/dbraw/zinc/17/62/31/356176231.db2.gz BSZSQDOFSYMXDP-UHFFFAOYSA-N 0 1 221.348 2.362 20 0 BEADMN C[C@@H]1CN(CCC2CCCC2)C[C@H](C)[S@@]1=O ZINC000336087141 134076956 /nfs/dbraw/zinc/07/69/56/134076956.db2.gz WCXIIKIFAOSTGJ-DRXBFXEBSA-N 0 1 243.416 2.408 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1[nH]nc(C)c1C ZINC000617637448 356235492 /nfs/dbraw/zinc/23/54/92/356235492.db2.gz WMBQYFXYTFEDNF-MRVPVSSYSA-N 0 1 223.320 2.193 20 0 BEADMN O[C@@]1(C2CC2)CCN(Cc2ccc(Cl)o2)C1 ZINC000336107089 134083046 /nfs/dbraw/zinc/08/30/46/134083046.db2.gz YNTXXXNKAWVSJS-LBPRGKRZSA-N 0 1 241.718 2.280 20 0 BEADMN CC[C@H](C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000617635923 356222536 /nfs/dbraw/zinc/22/25/36/356222536.db2.gz WWUCWXMYNSSCOL-VIFPVBQESA-N 0 1 235.331 2.064 20 0 BEADMN CC1(C)CN(Cc2[nH]nc3ccccc32)C1 ZINC000639403558 356197165 /nfs/dbraw/zinc/19/71/65/356197165.db2.gz FHKYLAVAMUNJIS-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN C(c1noc(CN2CCC[C@@H]2C2CC2)n1)C1CC1 ZINC000639475556 356269985 /nfs/dbraw/zinc/26/99/85/356269985.db2.gz YRFUWSMCYMLBSX-GFCCVEGCSA-N 0 1 247.342 2.397 20 0 BEADMN O=C(c1cc(C(F)F)[nH]n1)N1C2CCC1CC2 ZINC000639475791 356270411 /nfs/dbraw/zinc/27/04/11/356270411.db2.gz VAIYLCXAXWACBK-UHFFFAOYSA-N 0 1 241.241 2.114 20 0 BEADMN CC(=O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000639458131 356243751 /nfs/dbraw/zinc/24/37/51/356243751.db2.gz SDWHGFBMZIWRAD-AWEZNQCLSA-N 0 1 235.302 2.422 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H](C)O1 ZINC000639487401 356303997 /nfs/dbraw/zinc/30/39/97/356303997.db2.gz ZQQDQRAJEPIQGS-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)C[C@@H](C)O1 ZINC000639487401 356304003 /nfs/dbraw/zinc/30/40/03/356304003.db2.gz ZQQDQRAJEPIQGS-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H](C)O1 ZINC000639487404 356304071 /nfs/dbraw/zinc/30/40/71/356304071.db2.gz ZQQDQRAJEPIQGS-YNEHKIRRSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@H](C)O1 ZINC000639487404 356304074 /nfs/dbraw/zinc/30/40/74/356304074.db2.gz ZQQDQRAJEPIQGS-YNEHKIRRSA-N 0 1 241.375 2.301 20 0 BEADMN CC(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000639501792 356328284 /nfs/dbraw/zinc/32/82/84/356328284.db2.gz XSOMJSDBRWTPLQ-CYBMUJFWSA-N 0 1 235.302 2.279 20 0 BEADMN CC(C)(C)n1ncnc1CN1CCCC1(C)C ZINC000336317102 356334971 /nfs/dbraw/zinc/33/49/71/356334971.db2.gz ALMVWSDTDKRAHS-UHFFFAOYSA-N 0 1 236.363 2.408 20 0 BEADMN CCc1nc(C)c(CN2C[C@@H](C)[C@H]2C)o1 ZINC000336342054 356342568 /nfs/dbraw/zinc/34/25/68/356342568.db2.gz AHYNFFDNGSTRJS-PSASIEDQSA-N 0 1 208.305 2.386 20 0 BEADMN CCOC(=O)CN(C1CC1)C1CCCCC1 ZINC000047904457 356344704 /nfs/dbraw/zinc/34/47/04/356344704.db2.gz QWXYKICCZNMDEL-UHFFFAOYSA-N 0 1 225.332 2.347 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2C)o1 ZINC000380272142 356349921 /nfs/dbraw/zinc/34/99/21/356349921.db2.gz WQMWJZHEJZRDRD-OYNCUSHFSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccccn1 ZINC000639512981 356350072 /nfs/dbraw/zinc/35/00/72/356350072.db2.gz ZLJSYMAIMMVXDJ-LBPRGKRZSA-N 0 1 249.358 2.388 20 0 BEADMN CC(=O)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000639515494 356352388 /nfs/dbraw/zinc/35/23/88/356352388.db2.gz YJSCZLOWSDAXPH-LBPRGKRZSA-N 0 1 221.275 2.204 20 0 BEADMN CC(=O)CNC1(c2ccccc2)CCC1 ZINC000639524520 356372684 /nfs/dbraw/zinc/37/26/84/356372684.db2.gz KZHDVRJLOOMWGS-UHFFFAOYSA-N 0 1 203.285 2.244 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccncc1F ZINC000449761289 202028208 /nfs/dbraw/zinc/02/82/08/202028208.db2.gz WETMJOMJIUDPSK-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN1CCS(=O)CC1 ZINC000191065826 358502240 /nfs/dbraw/zinc/50/22/40/358502240.db2.gz XVOGYCKVDDKOQX-CHWSQXEVSA-N 0 1 241.400 2.043 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CC(C)(C)CO1 ZINC000639546125 356410069 /nfs/dbraw/zinc/41/00/69/356410069.db2.gz CJDANNYWYHYDAS-ZDUSSCGKSA-N 0 1 234.343 2.329 20 0 BEADMN CCC1(C)CCN([C@H](C)c2nncn2C)CC1 ZINC000336147552 134102931 /nfs/dbraw/zinc/10/29/31/134102931.db2.gz MTKCYWFNSAZFGU-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN C[C@@H]1OCC[C@@H]1CN1CCC[C@H]1C(F)F ZINC000639555726 356458536 /nfs/dbraw/zinc/45/85/36/356458536.db2.gz RPXLFEIWUCXQLB-AEJSXWLSSA-N 0 1 219.275 2.141 20 0 BEADMN CCn1ccnc1CN1CCSC[C@@H](C)C1 ZINC000190399085 356443706 /nfs/dbraw/zinc/44/37/06/356443706.db2.gz DALMFXZXBVYXFD-NSHDSACASA-N 0 1 239.388 2.088 20 0 BEADMN CC(=O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000639566962 356488892 /nfs/dbraw/zinc/48/88/92/356488892.db2.gz DOAROWUIHWHFJJ-UHFFFAOYSA-N 0 1 227.254 2.379 20 0 BEADMN Cc1cccc(NCCCC2(O)CCC2)n1 ZINC000420640115 192254085 /nfs/dbraw/zinc/25/40/85/192254085.db2.gz QUMOACJDYINEQF-UHFFFAOYSA-N 0 1 220.316 2.497 20 0 BEADMN CC[C@H](F)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000336168028 134113996 /nfs/dbraw/zinc/11/39/96/134113996.db2.gz GSIYNXZBOFPNMB-WCQYABFASA-N 0 1 245.338 2.004 20 0 BEADMN CCC(F)(F)CN[C@@H](CCO)C(C)C ZINC000639577463 356498068 /nfs/dbraw/zinc/49/80/68/356498068.db2.gz GSTRPEBHKFXMSM-VIFPVBQESA-N 0 1 209.280 2.028 20 0 BEADMN CC(C)CN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289001 356498104 /nfs/dbraw/zinc/49/81/04/356498104.db2.gz JXFOBMSXMGUXOO-LLVKDONJSA-N 0 1 232.327 2.485 20 0 BEADMN CC(=O)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000639577208 356498705 /nfs/dbraw/zinc/49/87/05/356498705.db2.gz GNJGIPOESACEKR-CQSZACIVSA-N 0 1 217.312 2.373 20 0 BEADMN C[C@@H]1C(=O)Nc2ccccc2CN1CC1CC1 ZINC000623290222 356508430 /nfs/dbraw/zinc/50/84/30/356508430.db2.gz IUEABUFIZNZHAJ-SNVBAGLBSA-N 0 1 230.311 2.239 20 0 BEADMN C[C@H]1C(=O)Nc2ccccc2CN1CC1CC1 ZINC000623290221 356508862 /nfs/dbraw/zinc/50/88/62/356508862.db2.gz IUEABUFIZNZHAJ-JTQLQIEISA-N 0 1 230.311 2.239 20 0 BEADMN CC[C@](C)(O)CN(CC(C)=O)Cc1ccccc1 ZINC000639603457 356523774 /nfs/dbraw/zinc/52/37/74/356523774.db2.gz CMJYYHAVTNIXTH-HNNXBMFYSA-N 0 1 249.354 2.239 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639604460 356525739 /nfs/dbraw/zinc/52/57/39/356525739.db2.gz POUVDMXMYSPWRH-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CC1(C)CO[C@@H](CN2CCC[C@H]2c2cc[nH]n2)C1 ZINC000639615999 356533892 /nfs/dbraw/zinc/53/38/92/356533892.db2.gz AFRJAEWBBHWPPR-YPMHNXCESA-N 0 1 249.358 2.362 20 0 BEADMN CC[C@H]1CN(CCOCC2CC2)C[C@H](CC)O1 ZINC000420961421 192281287 /nfs/dbraw/zinc/28/12/87/192281287.db2.gz SHVQZVVEJJRPNJ-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCn1ncnc1CN1CC[C@@H](C2CCCC2)C1 ZINC000420965165 192283330 /nfs/dbraw/zinc/28/33/30/192283330.db2.gz RPYGKCYXSTTZOM-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN COC[C@H]1CCCN(Cc2cscn2)CC1 ZINC000449772118 202029175 /nfs/dbraw/zinc/02/91/75/202029175.db2.gz GNKMTFLHBRQAGX-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN C[C@@H]1CCN(Cc2cnns2)C[C@@H](C)C1 ZINC000336193220 134124164 /nfs/dbraw/zinc/12/41/64/134124164.db2.gz KJOCIFXIAFMZOS-ZJUUUORDSA-N 0 1 225.361 2.406 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421018219 192304944 /nfs/dbraw/zinc/30/49/44/192304944.db2.gz LCSZGEDOOHKLAM-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN COc1ccc(C)cc1CN1CC[C@@]12CCOC2 ZINC000421018219 192304945 /nfs/dbraw/zinc/30/49/45/192304945.db2.gz LCSZGEDOOHKLAM-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN COc1ccc(CC[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421014891 192302360 /nfs/dbraw/zinc/30/23/60/192302360.db2.gz HWVULQHJZPIRKU-HNNXBMFYSA-N 0 1 247.338 2.103 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000449828421 202042476 /nfs/dbraw/zinc/04/24/76/202042476.db2.gz WYZBEWDNQLHHOG-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCCN1CCC[C@@H]1c1nc(CC)no1 ZINC000350592446 366303581 /nfs/dbraw/zinc/30/35/81/366303581.db2.gz HOBFFGUPGAXRAJ-SECBINFHSA-N 0 1 209.293 2.179 20 0 BEADMN CCC(F)(F)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000639654555 356560099 /nfs/dbraw/zinc/56/00/99/356560099.db2.gz JRBCVNGETKCJBH-NSHDSACASA-N 0 1 234.334 2.304 20 0 BEADMN CCC(F)(F)CN1CCN(C)C[C@H]1C(C)C ZINC000639654555 356560104 /nfs/dbraw/zinc/56/01/04/356560104.db2.gz JRBCVNGETKCJBH-NSHDSACASA-N 0 1 234.334 2.304 20 0 BEADMN CC[C@@H](C)NCc1nn(C)c(C)c1Cl ZINC000421336252 192319147 /nfs/dbraw/zinc/31/91/47/192319147.db2.gz VUVMSWIZXCWOMT-SSDOTTSWSA-N 0 1 215.728 2.270 20 0 BEADMN CC[C@@H](C)N1CCN(CC(F)(F)CC)CC1 ZINC000639664481 356578579 /nfs/dbraw/zinc/57/85/79/356578579.db2.gz HAMVZNJIELMHLV-LLVKDONJSA-N 0 1 234.334 2.448 20 0 BEADMN CCC(F)(F)CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000639666341 356580349 /nfs/dbraw/zinc/58/03/49/356580349.db2.gz QQYFRGAKNHTDCA-NEPJUHHUSA-N 0 1 247.329 2.418 20 0 BEADMN CCC(F)(F)CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000639666342 356580521 /nfs/dbraw/zinc/58/05/21/356580521.db2.gz QQYFRGAKNHTDCA-NWDGAFQWSA-N 0 1 247.329 2.418 20 0 BEADMN CC[C@@H]1CN(CC)CCN1CC(F)(F)CC ZINC000639665749 356580646 /nfs/dbraw/zinc/58/06/46/356580646.db2.gz YNXQRZLDTZXSCL-LLVKDONJSA-N 0 1 234.334 2.448 20 0 BEADMN C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nc(CC2CC2)no1 ZINC000639670962 356586903 /nfs/dbraw/zinc/58/69/03/356586903.db2.gz KAGAUCCQSIAWLU-GRYCIOLGSA-N 0 1 247.342 2.300 20 0 BEADMN CC(=O)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000639671544 356587340 /nfs/dbraw/zinc/58/73/40/356587340.db2.gz SKDTVIABCRUDEI-SNVBAGLBSA-N 0 1 223.291 2.278 20 0 BEADMN CCc1nnc(NC(=O)CCCC(C)C)[nH]1 ZINC000450137187 202084557 /nfs/dbraw/zinc/08/45/57/202084557.db2.gz PYTCUIRJCSHGFN-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CCCC(C)C)n1 ZINC000450137187 202084561 /nfs/dbraw/zinc/08/45/61/202084561.db2.gz PYTCUIRJCSHGFN-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC[C@H]2CC)[nH]1 ZINC000450134284 202084752 /nfs/dbraw/zinc/08/47/52/202084752.db2.gz IQCXUOVUHKHFAE-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC[C@H]2CC)n1 ZINC000450134284 202084753 /nfs/dbraw/zinc/08/47/53/202084753.db2.gz IQCXUOVUHKHFAE-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN C[C@H](N[C@H]1CCCC1(F)F)[C@@H]1CCOC1 ZINC000379877367 538461523 /nfs/dbraw/zinc/46/15/23/538461523.db2.gz AUCDICXADYPDFI-AEJSXWLSSA-N 0 1 219.275 2.189 20 0 BEADMN COCc1nc(CN[C@H]2CC[C@H]2C)cs1 ZINC000380328941 538466370 /nfs/dbraw/zinc/46/63/70/538466370.db2.gz NHOREFADILELMU-SCZZXKLOSA-N 0 1 226.345 2.178 20 0 BEADMN COCCN(C)Cc1ccccc1OC1CC1 ZINC000450274282 202116233 /nfs/dbraw/zinc/11/62/33/202116233.db2.gz AKHMAXLDUANPMC-UHFFFAOYSA-N 0 1 235.327 2.306 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1cn(CC2CC2)nn1 ZINC000450286525 202118759 /nfs/dbraw/zinc/11/87/59/202118759.db2.gz MGJUAIRSQMKUMK-CQSZACIVSA-N 0 1 248.374 2.309 20 0 BEADMN CC(C)OCCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747484 356642539 /nfs/dbraw/zinc/64/25/39/356642539.db2.gz TZPCQNZNXJARQS-ZDUSSCGKSA-N 0 1 242.407 2.074 20 0 BEADMN CC1CCC(CN2CC[S@@](=O)[C@@H](C)C2)CC1 ZINC000336413343 134146591 /nfs/dbraw/zinc/14/65/91/134146591.db2.gz QIMCZMRVGPECRW-SPFUSLPCSA-N 0 1 243.416 2.266 20 0 BEADMN c1ccc(OC2CC2)c(CN2CCCOCC2)c1 ZINC000450317217 202127680 /nfs/dbraw/zinc/12/76/80/202127680.db2.gz JWKKRDSYUGAFGW-UHFFFAOYSA-N 0 1 247.338 2.450 20 0 BEADMN CCN(CC(=O)OC)CC12CCC(CC1)C2 ZINC000450352329 202140171 /nfs/dbraw/zinc/14/01/71/202140171.db2.gz VMACEYXGQQFGTL-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@H]1CCOC1 ZINC000389496197 356692264 /nfs/dbraw/zinc/69/22/64/356692264.db2.gz YQVGUCQCHAZPTP-CIUDSAMLSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cn(CC2CC2)nn1 ZINC000450385121 202148296 /nfs/dbraw/zinc/14/82/96/202148296.db2.gz CALAXWJGVWKGBK-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1ccc(F)cc1 ZINC000267516798 356682992 /nfs/dbraw/zinc/68/29/92/356682992.db2.gz MFEMPJFXHIJVLA-CYBMUJFWSA-N 0 1 248.305 2.195 20 0 BEADMN C[C@H](O)CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000450391297 202151443 /nfs/dbraw/zinc/15/14/43/202151443.db2.gz NGEAGRJMWVQQRR-NWDGAFQWSA-N 0 1 237.318 2.386 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2ccccc2F)n[nH]1 ZINC000054056947 363560637 /nfs/dbraw/zinc/56/06/37/363560637.db2.gz KIWSAXCRTPRAEO-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CN(Cc1cc[nH]n1)CC12CCC(CC1)C2 ZINC000450399549 202152908 /nfs/dbraw/zinc/15/29/08/202152908.db2.gz DDHVQAHXJJZNPQ-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@@H]1CCC(F)(F)C1 ZINC000450401219 202154779 /nfs/dbraw/zinc/15/47/79/202154779.db2.gz HPSYWPLQXBHQIS-SECBINFHSA-N 0 1 229.274 2.277 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000035303939 356705371 /nfs/dbraw/zinc/70/53/71/356705371.db2.gz HTWLNYVLGOGDES-FLUIGGAXSA-N 0 1 231.295 2.249 20 0 BEADMN Cc1ncccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776507 356717757 /nfs/dbraw/zinc/71/77/57/356717757.db2.gz BGFMSKWLLRSNIC-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccncc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776443 356718651 /nfs/dbraw/zinc/71/86/51/356718651.db2.gz ANVZJJOKPOGBMX-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cncc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639777295 356721408 /nfs/dbraw/zinc/72/14/08/356721408.db2.gz KGRUVVXLTBEATR-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000450433070 202166529 /nfs/dbraw/zinc/16/65/29/202166529.db2.gz JAIBIACEAWQUAV-NEPJUHHUSA-N 0 1 248.374 2.309 20 0 BEADMN CC(=O)CN1CCc2ccccc2C(C)(C)C1 ZINC000639784615 356736202 /nfs/dbraw/zinc/73/62/02/356736202.db2.gz KDCPFXWMGUHFQF-UHFFFAOYSA-N 0 1 231.339 2.411 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2cocn2)no1 ZINC000350873830 366357085 /nfs/dbraw/zinc/35/70/85/366357085.db2.gz OWHJFVOJBVXEIY-RKDXNWHRSA-N 0 1 248.286 2.097 20 0 BEADMN C/C=C\CNCc1nc2ccccc2n1C ZINC000390473151 356716681 /nfs/dbraw/zinc/71/66/81/356716681.db2.gz JTRKNNNXZFOTQI-ARJAWSKDSA-N 0 1 215.300 2.239 20 0 BEADMN CCc1nnc(C[N@H+]2CC[C@H](C(C)(C)C)C2)[nH]1 ZINC000355047797 356748301 /nfs/dbraw/zinc/74/83/01/356748301.db2.gz IQXXBKYDSVZIBE-JTQLQIEISA-N 0 1 236.363 2.235 20 0 BEADMN CCc1nnc(CN2CC[C@H](C(C)(C)C)C2)[nH]1 ZINC000355047797 356748305 /nfs/dbraw/zinc/74/83/05/356748305.db2.gz IQXXBKYDSVZIBE-JTQLQIEISA-N 0 1 236.363 2.235 20 0 BEADMN OCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000054338042 363567149 /nfs/dbraw/zinc/56/71/49/363567149.db2.gz DMKYMGLFAPTDNC-OAHLLOKOSA-N 0 1 249.354 2.050 20 0 BEADMN CCN(C(=O)c1cc(C(F)F)[nH]n1)C1CCC1 ZINC000639801942 356767861 /nfs/dbraw/zinc/76/78/61/356767861.db2.gz SYGMQZFJFCTPHY-UHFFFAOYSA-N 0 1 243.257 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639810983 356789576 /nfs/dbraw/zinc/78/95/76/356789576.db2.gz YQTQRBCDRXSIOR-NKWVEPMBSA-N 0 1 243.257 2.218 20 0 BEADMN CO[C@H]1CN(CCC2CCCCC2)CCO1 ZINC000639832953 356818497 /nfs/dbraw/zinc/81/84/97/356818497.db2.gz FLGXMRIOJAPTAU-CYBMUJFWSA-N 0 1 227.348 2.262 20 0 BEADMN CO[C@H]1CN([C@H](C)CCc2ccccc2)CCO1 ZINC000639833136 356819283 /nfs/dbraw/zinc/81/92/83/356819283.db2.gz MQCQRGDPEDQMQR-UKRRQHHQSA-N 0 1 249.354 2.312 20 0 BEADMN CO[C@H]1CN(CC2CCC(C)CC2)CCO1 ZINC000639836711 356822765 /nfs/dbraw/zinc/82/27/65/356822765.db2.gz IYWNNBHRZPPEFY-WXRRBKDZSA-N 0 1 227.348 2.117 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450487488 202181347 /nfs/dbraw/zinc/18/13/47/202181347.db2.gz VBCVVXNPPNEQTH-QWRGUYRKSA-N 0 1 234.347 2.061 20 0 BEADMN CCO[C@@H](CN(C)Cc1ccns1)C1CC1 ZINC000639809388 356783671 /nfs/dbraw/zinc/78/36/71/356783671.db2.gz SOANKYGPYRXWED-LBPRGKRZSA-N 0 1 240.372 2.390 20 0 BEADMN CCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639843075 356838595 /nfs/dbraw/zinc/83/85/95/356838595.db2.gz MBWUWRYKXAEAIQ-LLVKDONJSA-N 0 1 205.305 2.414 20 0 BEADMN CCCCN1CCC[C@@H]1c1ncccn1 ZINC000639843075 356838598 /nfs/dbraw/zinc/83/85/98/356838598.db2.gz MBWUWRYKXAEAIQ-LLVKDONJSA-N 0 1 205.305 2.414 20 0 BEADMN CCCC(O)(CCC)CN[C@@H](C)c1ncc[nH]1 ZINC000353514748 538745651 /nfs/dbraw/zinc/74/56/51/538745651.db2.gz CVUVJJZKJXQXHI-NSHDSACASA-N 0 1 239.363 2.392 20 0 BEADMN CCN(Cc1occc1C)[C@H]1CCOC1 ZINC000361236952 356920983 /nfs/dbraw/zinc/92/09/83/356920983.db2.gz HFWMUAKYJFFILT-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN CCN(Cc1ncccc1C)[C@H]1CCOC1 ZINC000361239447 356921877 /nfs/dbraw/zinc/92/18/77/356921877.db2.gz ZTNSTVJRCUGYFS-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@H]2CCC[C@@H]21 ZINC000361247684 356921994 /nfs/dbraw/zinc/92/19/94/356921994.db2.gz YQNRAZYPRDHYFY-IHRRRGAJSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H](NCCc1ccccc1O)c1ncc[nH]1 ZINC000353406274 538739762 /nfs/dbraw/zinc/73/97/62/538739762.db2.gz QDIRRWRUXWSYBS-SNVBAGLBSA-N 0 1 231.299 2.009 20 0 BEADMN C[N@H+](CC1=CCSC1)C[C@H]1CC(C)(C)CO1 ZINC000639866484 356981745 /nfs/dbraw/zinc/98/17/45/356981745.db2.gz SRNNGFQCSTYIQY-GFCCVEGCSA-N 0 1 241.400 2.407 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(Cl)cn1 ZINC000582317028 357055693 /nfs/dbraw/zinc/05/56/93/357055693.db2.gz XOPRYLGPOHNGQR-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2ncc[nH]2)o1 ZINC000390571212 357106107 /nfs/dbraw/zinc/10/61/07/357106107.db2.gz VALSIBFGOQMPOA-JTQLQIEISA-N 0 1 219.288 2.204 20 0 BEADMN CC(=O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000639879796 357113525 /nfs/dbraw/zinc/11/35/25/357113525.db2.gz QIIOEBSSCFJWQC-CQSZACIVSA-N 0 1 217.312 2.490 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612222 357100671 /nfs/dbraw/zinc/10/06/71/357100671.db2.gz IHDUWHJFQSORRO-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(F)cc(F)c1 ZINC000390521074 357100734 /nfs/dbraw/zinc/10/07/34/357100734.db2.gz FKGWUGWICMBQBY-VXGBXAGGSA-N 0 1 227.254 2.232 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccnc(C)c1 ZINC000391132927 357122674 /nfs/dbraw/zinc/12/26/74/357122674.db2.gz OEYCDWFUXTYFMN-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN Cc1cc(CNCc2cncs2)ccn1 ZINC000391207803 357125897 /nfs/dbraw/zinc/12/58/97/357125897.db2.gz SYDRHVPLWBVYEB-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CCc1nc(NC(=O)c2ccc(F)c(C)c2)n[nH]1 ZINC000123218663 357218187 /nfs/dbraw/zinc/21/81/87/357218187.db2.gz LBGZTCUPMPXCIR-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(F)c(C)c2)n1 ZINC000123218663 357218191 /nfs/dbraw/zinc/21/81/91/357218191.db2.gz LBGZTCUPMPXCIR-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1CCc1cnccn1 ZINC000639893026 357224048 /nfs/dbraw/zinc/22/40/48/357224048.db2.gz BORVNHAWQHERJG-SNVBAGLBSA-N 0 1 241.285 2.139 20 0 BEADMN CN(Cc1cnc(C2CC2)o1)CC1(C)COC1 ZINC000628423646 357248073 /nfs/dbraw/zinc/24/80/73/357248073.db2.gz CYOOUVXXUNQXIH-UHFFFAOYSA-N 0 1 236.315 2.020 20 0 BEADMN CCc1ncc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000631262101 357254928 /nfs/dbraw/zinc/25/49/28/357254928.db2.gz ONEPFKGSFRPFRY-RKDXNWHRSA-N 0 1 245.248 2.079 20 0 BEADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000357146616 538826042 /nfs/dbraw/zinc/82/60/42/538826042.db2.gz ZBZQUQNLBWYAID-GRYCIOLGSA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000393170334 357278544 /nfs/dbraw/zinc/27/85/44/357278544.db2.gz FAXFLXYWQONWRM-QMMMGPOBSA-N 0 1 242.344 2.318 20 0 BEADMN CSCc1cnc(CNCCCF)s1 ZINC000393952362 357322421 /nfs/dbraw/zinc/32/24/21/357322421.db2.gz ZLJITKZOQVLCLV-UHFFFAOYSA-N 0 1 234.365 2.455 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000216527093 357329152 /nfs/dbraw/zinc/32/91/52/357329152.db2.gz IKQBTARYKCADPB-CYBMUJFWSA-N 0 1 233.311 2.298 20 0 BEADMN COCCCCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000582552213 357333634 /nfs/dbraw/zinc/33/36/34/357333634.db2.gz ZJXGNHIJHOXMBC-LBPRGKRZSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1n[nH]c(C)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262583 357384081 /nfs/dbraw/zinc/38/40/81/357384081.db2.gz IBUAXMUBHMERJU-RKDXNWHRSA-N 0 1 233.237 2.067 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000582790249 357395997 /nfs/dbraw/zinc/39/59/97/357395997.db2.gz TVNOBMBAJFLBTP-HOMQSWHASA-N 0 1 235.331 2.161 20 0 BEADMN CCc1nc(SCc2conc2CC)n[nH]1 ZINC000582942864 357442657 /nfs/dbraw/zinc/44/26/57/357442657.db2.gz BAQIDZVXYYCFEI-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN CCc1n[nH]c(SCc2conc2CC)n1 ZINC000582942864 357442661 /nfs/dbraw/zinc/44/26/61/357442661.db2.gz BAQIDZVXYYCFEI-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN C[C@]12C[N@@H+](CCCC(=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000582946178 357443423 /nfs/dbraw/zinc/44/34/23/357443423.db2.gz ZCMIJVDAXMYGPQ-OWTLIXCDSA-N 0 1 237.343 2.219 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1cncnc1 ZINC000358503882 538843597 /nfs/dbraw/zinc/84/35/97/538843597.db2.gz FYTZVHKRVFZYMF-LLVKDONJSA-N 0 1 242.326 2.285 20 0 BEADMN C[N@@H+](CC12CCC(CC1)C2)C(C)(C)C(=O)[O-] ZINC000583030875 357463435 /nfs/dbraw/zinc/46/34/35/357463435.db2.gz VFWHWYZRUJCWDE-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)C(C)(C)C ZINC000583033301 357464293 /nfs/dbraw/zinc/46/42/93/357464293.db2.gz GIIILZMVOABUPO-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](Cn1c(C)nc2c1CCCC2)OC ZINC000396999048 357488022 /nfs/dbraw/zinc/48/80/22/357488022.db2.gz DKHVTNMIWBINLX-LLVKDONJSA-N 0 1 222.332 2.495 20 0 BEADMN CC1(C)CN(C[C@@H](O)CC2CCCC2)CCO1 ZINC000188637903 357568952 /nfs/dbraw/zinc/56/89/52/357568952.db2.gz IQEBETQMHWPZSJ-ZDUSSCGKSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CCC[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000230691178 357550634 /nfs/dbraw/zinc/55/06/34/357550634.db2.gz PECJCUQAPBXBOD-DTWKUNHWSA-N 0 1 231.303 2.201 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1CCCCC1 ZINC000073598150 325205279 /nfs/dbraw/zinc/20/52/79/325205279.db2.gz CLADDCKQHDMLRI-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC[C@@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000188805872 357588258 /nfs/dbraw/zinc/58/82/58/357588258.db2.gz PNGYAWRYRHCLSO-SECBINFHSA-N 0 1 244.298 2.000 20 0 BEADMN C[C@H]1OCCN(C[C@H](O)CC2CCCC2)[C@H]1C ZINC000190721394 357719192 /nfs/dbraw/zinc/71/91/92/357719192.db2.gz GKBLMMYSJVWJOU-OUCADQQQSA-N 0 1 241.375 2.037 20 0 BEADMN CCCn1cc(CNCc2cnccc2C)cn1 ZINC000233424951 357723269 /nfs/dbraw/zinc/72/32/69/357723269.db2.gz PXHYPVXUEOUPHN-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000232830403 357685635 /nfs/dbraw/zinc/68/56/35/357685635.db2.gz HTPGYQHMBLXCGC-ZIAGYGMSSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H](NCc1ncccn1)[C@H]1CC1(C)C ZINC000397841673 357730384 /nfs/dbraw/zinc/73/03/84/357730384.db2.gz YKIUZEQBGDVWJA-NXEZZACHSA-N 0 1 205.305 2.001 20 0 BEADMN c1cnn([C@@H]2CCCC[C@H]2NCc2cocn2)c1 ZINC000191106441 357751038 /nfs/dbraw/zinc/75/10/38/357751038.db2.gz BTVKQMZBDLRJCH-CHWSQXEVSA-N 0 1 246.314 2.145 20 0 BEADMN CCN(CC(N)=O)Cc1cc2ccccc2s1 ZINC000191698079 357800569 /nfs/dbraw/zinc/80/05/69/357800569.db2.gz UWOHCAIATNIETM-UHFFFAOYSA-N 0 1 248.351 2.209 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1CCC[C@H](C)CC1 ZINC000191968350 357807744 /nfs/dbraw/zinc/80/77/44/357807744.db2.gz MWONFCHPTGVXDM-QWRGUYRKSA-N 0 1 249.362 2.191 20 0 BEADMN CC(C)C[C@H]1CCN(Cc2ncccn2)C1 ZINC000192051304 357816266 /nfs/dbraw/zinc/81/62/66/357816266.db2.gz LCIHGDOEYBHKHF-GFCCVEGCSA-N 0 1 219.332 2.345 20 0 BEADMN CCn1cncc1CNCc1cccs1 ZINC000085183030 134225162 /nfs/dbraw/zinc/22/51/62/134225162.db2.gz NPHWCUPLRHUGNQ-UHFFFAOYSA-N 0 1 221.329 2.254 20 0 BEADMN C[C@@H](NCc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000193124135 357860805 /nfs/dbraw/zinc/86/08/05/357860805.db2.gz SOPFGOMDQQYCSH-PWSUYJOCSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H](NCc1nc2ccccc2o1)[C@H]1CCCO1 ZINC000193124152 357861412 /nfs/dbraw/zinc/86/14/12/357861412.db2.gz SOPFGOMDQQYCSH-CMPLNLGQSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCc2ccccc2)[C@@H]1C(=O)[O-] ZINC000235308266 357864341 /nfs/dbraw/zinc/86/43/41/357864341.db2.gz APQCBGYEMHLSPO-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@H]2C)sc1C ZINC000235450787 357870026 /nfs/dbraw/zinc/87/00/26/357870026.db2.gz PFPKOSODOBYZLS-CMPLNLGQSA-N 0 1 240.372 2.417 20 0 BEADMN CC(C)(O)CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000086234357 357873586 /nfs/dbraw/zinc/87/35/86/357873586.db2.gz VCFRIAQJGKSAJP-VIFPVBQESA-N 0 1 239.281 2.422 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1ccncc1Cl ZINC000235611477 357929001 /nfs/dbraw/zinc/92/90/01/357929001.db2.gz FSVXQUDRXAADTJ-BXKDBHETSA-N 0 1 240.734 2.392 20 0 BEADMN CC/C=C/CC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000584416032 357915972 /nfs/dbraw/zinc/91/59/72/357915972.db2.gz IWHJEMYCVCYFBU-QJSMKMSWSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@@H]2C)sc1C ZINC000235612345 357929048 /nfs/dbraw/zinc/92/90/48/357929048.db2.gz PFPKOSODOBYZLS-ZYHUDNBSSA-N 0 1 240.372 2.417 20 0 BEADMN CC[C@@H](NCc1ncc(Cl)s1)[C@@H](C)O ZINC000387442150 357961790 /nfs/dbraw/zinc/96/17/90/357961790.db2.gz PQSQTKKZUWJVQH-RNFRBKRXSA-N 0 1 234.752 2.046 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccccn1 ZINC000020453954 357933943 /nfs/dbraw/zinc/93/39/43/357933943.db2.gz QPOYPHZVTUMAPC-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1nc(CNCC2(C(F)F)CC2)[nH]c1C ZINC000583764524 357938653 /nfs/dbraw/zinc/93/86/53/357938653.db2.gz LJWUMYOHVNMOKF-UHFFFAOYSA-N 0 1 229.274 2.161 20 0 BEADMN C/C=C(\C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC001641133907 1172229013 /nfs/dbraw/zinc/22/90/13/1172229013.db2.gz NLSGEYXULFSWIN-YCRREMRBSA-N 0 1 229.283 2.145 20 0 BEADMN CC[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CC1 ZINC000035732045 357998498 /nfs/dbraw/zinc/99/84/98/357998498.db2.gz AFJUPYIIDYBQGU-UHFFFAOYSA-N 0 1 249.310 2.248 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035433051 357992317 /nfs/dbraw/zinc/99/23/17/357992317.db2.gz OPROUFLIEPVBAD-VIFPVBQESA-N 0 1 225.288 2.456 20 0 BEADMN FC1(CNCc2ccnc(N3CCCC3)c2)CC1 ZINC000583864534 358044936 /nfs/dbraw/zinc/04/49/36/358044936.db2.gz RPXXZTAPPWXPKC-UHFFFAOYSA-N 0 1 249.333 2.274 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000037108854 358064860 /nfs/dbraw/zinc/06/48/60/358064860.db2.gz UOMNITCQXMJASR-GFCCVEGCSA-N 0 1 221.300 2.400 20 0 BEADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000037097541 358065132 /nfs/dbraw/zinc/06/51/32/358065132.db2.gz IOOCIKZVPLXYGF-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN COc1cccc(-c2noc(CNC(C)C)n2)c1 ZINC000037389713 358078987 /nfs/dbraw/zinc/07/89/87/358078987.db2.gz DXZUWTWOBKNVEO-UHFFFAOYSA-N 0 1 247.298 2.243 20 0 BEADMN CCn1ccnc1CNCCOc1ccccc1 ZINC000051924207 358102588 /nfs/dbraw/zinc/10/25/88/358102588.db2.gz CJZRGJYSPLZHMR-UHFFFAOYSA-N 0 1 245.326 2.072 20 0 BEADMN CSCCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000584666051 358119893 /nfs/dbraw/zinc/11/98/93/358119893.db2.gz IMHUTFRUWWLIRM-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000170916108 134255308 /nfs/dbraw/zinc/25/53/08/134255308.db2.gz BEXLSXGUEQSCNR-ZDUSSCGKSA-N 0 1 248.370 2.375 20 0 BEADMN CC[C@@H](C)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039227 358138188 /nfs/dbraw/zinc/13/81/88/358138188.db2.gz RKZWYXJZWQCVDT-MOENNCHZSA-N 0 1 248.374 2.406 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C)(F)CC1 ZINC000640071079 358154489 /nfs/dbraw/zinc/15/44/89/358154489.db2.gz WISOOVLYUYBKHI-WDEREUQCSA-N 0 1 244.354 2.114 20 0 BEADMN CCC(C)(C)NC(=O)CN1CCC(C)(F)CC1 ZINC000640069630 358154918 /nfs/dbraw/zinc/15/49/18/358154918.db2.gz FLXJEHQJZJINFU-UHFFFAOYSA-N 0 1 244.354 2.115 20 0 BEADMN c1c2cccnc2[nH]c1-c1nc(C2CC2)no1 ZINC000351187565 358156577 /nfs/dbraw/zinc/15/65/77/358156577.db2.gz RKUAJPQZVNZWTH-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN C[C@@H](c1cnccn1)N1CCC(C)(F)CC1 ZINC000640071667 358162887 /nfs/dbraw/zinc/16/28/87/358162887.db2.gz QCFWIHBIRXZKEA-JTQLQIEISA-N 0 1 223.295 2.362 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)nc(C)n1 ZINC000640075115 358173102 /nfs/dbraw/zinc/17/31/02/358173102.db2.gz YCVZSQDBYDIMIM-UHFFFAOYSA-N 0 1 237.322 2.417 20 0 BEADMN CCC(CC)N(Cc1nnc(C)[nH]1)C1CC1 ZINC000584816111 358186639 /nfs/dbraw/zinc/18/66/39/358186639.db2.gz WRERQYJNVWNROB-UHFFFAOYSA-N 0 1 222.336 2.266 20 0 BEADMN C[C@H]1CN(Cc2cn(CC3CC3)nn2)CC[C@@H]1C ZINC000450648824 202226342 /nfs/dbraw/zinc/22/63/42/202226342.db2.gz YQQFQVYJHFOMEP-RYUDHWBXSA-N 0 1 248.374 2.166 20 0 BEADMN Cc1ncc([C@@H](C)NCc2cnn(C)c2)s1 ZINC000090404254 491126015 /nfs/dbraw/zinc/12/60/15/491126015.db2.gz ZQAAPVABZGRQLQ-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN CC[N@@H+](CCSc1ccccc1)CC(=O)[O-] ZINC000086100368 358232970 /nfs/dbraw/zinc/23/29/70/358232970.db2.gz JDHIZWOUFOIRBY-UHFFFAOYSA-N 0 1 239.340 2.185 20 0 BEADMN CC[C@@H](NCc1nccc(OC)n1)C(C)(C)C ZINC000450690211 202235031 /nfs/dbraw/zinc/23/50/31/202235031.db2.gz VCVXRLCXZQINFV-SNVBAGLBSA-N 0 1 237.347 2.400 20 0 BEADMN COc1ccnc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000450724064 202247759 /nfs/dbraw/zinc/24/77/59/202247759.db2.gz LDOLVOZMVBZMDI-GHMZBOCLSA-N 0 1 235.331 2.154 20 0 BEADMN CSCc1nc(-c2ccn3cncc3c2)no1 ZINC000351042968 366397558 /nfs/dbraw/zinc/39/75/58/366397558.db2.gz DGYUUNXDPHWWJX-UHFFFAOYSA-N 0 1 246.295 2.247 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000042163615 358341962 /nfs/dbraw/zinc/34/19/62/358341962.db2.gz NXXRHCVOKCHRGI-ZDUSSCGKSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000228613589 358381670 /nfs/dbraw/zinc/38/16/70/358381670.db2.gz NYXPBOFHHGOWAY-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN FC1(CN2CCC(c3ccon3)CC2)CC1 ZINC000668719441 491132390 /nfs/dbraw/zinc/13/23/90/491132390.db2.gz VPNDOVNSIUFBRC-UHFFFAOYSA-N 0 1 224.279 2.356 20 0 BEADMN CC[C@H](O)CNCc1nc(C(C)(C)C)cs1 ZINC000229979350 358388172 /nfs/dbraw/zinc/38/81/72/358388172.db2.gz XSYNDKMSDWIENS-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000229301822 358401137 /nfs/dbraw/zinc/40/11/37/358401137.db2.gz IQEFYNGBSIGLOP-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(CNCc2ccc(C)nn2)cc1 ZINC000396619798 358449688 /nfs/dbraw/zinc/44/96/88/358449688.db2.gz ILWJMAPJTGZHOG-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC1CCCC1 ZINC000299972903 358421389 /nfs/dbraw/zinc/42/13/89/358421389.db2.gz AWOKYJWXFDITAJ-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN CSCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610989396 358423547 /nfs/dbraw/zinc/42/35/47/358423547.db2.gz LBWPSPPWWKOZIF-UHFFFAOYSA-N 0 1 247.367 2.325 20 0 BEADMN CC1(CN[C@@H](CF)c2ccc(F)cc2)COC1 ZINC000640152946 358430656 /nfs/dbraw/zinc/43/06/56/358430656.db2.gz IWXIDNQZAZOICU-LBPRGKRZSA-N 0 1 241.281 2.462 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@@](C)(CC)C1 ZINC000174200965 134279508 /nfs/dbraw/zinc/27/95/08/134279508.db2.gz IHKQYGICXPBHAV-DGCLKSJQSA-N 0 1 227.348 2.450 20 0 BEADMN CCN(CC(=O)N(C)c1ccccc1)C1CC1 ZINC000045770776 358565305 /nfs/dbraw/zinc/56/53/05/358565305.db2.gz GAPPWGAYKUPQPU-UHFFFAOYSA-N 0 1 232.327 2.134 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300229533 358570322 /nfs/dbraw/zinc/57/03/22/358570322.db2.gz XUIRMLGOMIUADZ-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H](NCC1CC1)c1nc(C(C)(C)C)no1 ZINC000174661638 134282893 /nfs/dbraw/zinc/28/28/93/134282893.db2.gz HDSKPCBPZMYKKJ-MRVPVSSYSA-N 0 1 223.320 2.428 20 0 BEADMN CCOc1ccccc1CN(CCO)C1CC1 ZINC000048065485 358612975 /nfs/dbraw/zinc/61/29/75/358612975.db2.gz VWXVTYBQBDYJBC-UHFFFAOYSA-N 0 1 235.327 2.042 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2CC(C)C)n1C ZINC000130211797 358614234 /nfs/dbraw/zinc/61/42/34/358614234.db2.gz JXBURPPUFKQLAT-GFCCVEGCSA-N 0 1 236.363 2.134 20 0 BEADMN CCc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000212803087 358633305 /nfs/dbraw/zinc/63/33/05/358633305.db2.gz LKDBYCUAZROCOB-UHFFFAOYSA-N 0 1 246.354 2.073 20 0 BEADMN CC(C)NC(=O)CNCc1coc2ccccc12 ZINC000130943896 358654752 /nfs/dbraw/zinc/65/47/52/358654752.db2.gz XCKAUJGJOGASGI-UHFFFAOYSA-N 0 1 246.310 2.047 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C(C)C)cc1F ZINC000049398129 358685661 /nfs/dbraw/zinc/68/56/61/358685661.db2.gz BYAGSIJXWVYXHT-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C)CN1CCOC[C@@H]1c1cccn1C ZINC000131603078 358686718 /nfs/dbraw/zinc/68/67/18/358686718.db2.gz HYOCPFQXLFXHTN-GXTWGEPZSA-N 0 1 236.359 2.445 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1cccc(F)c1F ZINC000131704902 358691082 /nfs/dbraw/zinc/69/10/82/358691082.db2.gz HCCSOLQTROGQAV-DTWKUNHWSA-N 0 1 227.254 2.404 20 0 BEADMN CC(C)OCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925807 358739102 /nfs/dbraw/zinc/73/91/02/358739102.db2.gz MLFXWWDLRMXDSA-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000050924743 358739133 /nfs/dbraw/zinc/73/91/33/358739133.db2.gz XRJDIHJVILHWHY-ZDUSSCGKSA-N 0 1 248.326 2.301 20 0 BEADMN COCC(C)(C)NCc1cc(F)ccc1F ZINC000135057111 358816461 /nfs/dbraw/zinc/81/64/61/358816461.db2.gz KNAUVICVISIEQR-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nccc(N)n2)C1 ZINC000135098565 358820014 /nfs/dbraw/zinc/82/00/14/358820014.db2.gz TUKPTVLIIGLAHM-GHMZBOCLSA-N 0 1 234.347 2.069 20 0 BEADMN CC[C@H](C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000054473273 358864237 /nfs/dbraw/zinc/86/42/37/358864237.db2.gz RRDHNHGQOUEMDK-SMDDNHRTSA-N 0 1 234.343 2.023 20 0 BEADMN C1CC12C[C@@H]2c1noc(C23CCCN2CCC3)n1 ZINC000351295957 366492674 /nfs/dbraw/zinc/49/26/74/366492674.db2.gz FTQXLEOBSSQUQW-SNVBAGLBSA-N 0 1 245.326 2.422 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1ncnn1C ZINC000135312341 358831455 /nfs/dbraw/zinc/83/14/55/358831455.db2.gz UFHVLBGEOSUTSW-GFCCVEGCSA-N 0 1 236.363 2.216 20 0 BEADMN CCC[C@H](CC)NC(=O)CN1CCC(C)CC1 ZINC000135365838 358834646 /nfs/dbraw/zinc/83/46/46/358834646.db2.gz RIQFGZKRJXJDEP-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H]1CCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000633204959 358855299 /nfs/dbraw/zinc/85/52/99/358855299.db2.gz UBFKYOBKTDBUDL-LURJTMIESA-N 0 1 247.220 2.053 20 0 BEADMN CSCCN(C)Cc1cnc2ccccn12 ZINC000138245760 358903768 /nfs/dbraw/zinc/90/37/68/358903768.db2.gz RKODFGXKCBUXRF-UHFFFAOYSA-N 0 1 235.356 2.129 20 0 BEADMN CC1(C)CN(CCc2ccccc2)CCO1 ZINC000059482737 358920519 /nfs/dbraw/zinc/92/05/19/358920519.db2.gz FQDFXZURKOCVKV-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000060575155 358926852 /nfs/dbraw/zinc/92/68/52/358926852.db2.gz OLJXQTLXMWVLLX-SNVBAGLBSA-N 0 1 238.306 2.495 20 0 BEADMN CCSCCN1CC2(C1)CC(F)(F)C2 ZINC000611180824 358929226 /nfs/dbraw/zinc/92/92/26/358929226.db2.gz VYMAIAXMPXYBFX-UHFFFAOYSA-N 0 1 221.316 2.471 20 0 BEADMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000061363244 358933025 /nfs/dbraw/zinc/93/30/25/358933025.db2.gz NXXLTBOMBCZKLW-UWVGGRQHSA-N 0 1 240.372 2.312 20 0 BEADMN Cc1noc(C)c1CNCCOCCC(C)C ZINC000070141851 359043433 /nfs/dbraw/zinc/04/34/33/359043433.db2.gz ONIXLUPXVWCZQC-UHFFFAOYSA-N 0 1 240.347 2.444 20 0 BEADMN Cc1cc(CN[C@H]2CCO[C@@H](C(C)C)C2)no1 ZINC000070360569 359051104 /nfs/dbraw/zinc/05/11/04/359051104.db2.gz HYLYMAKDMJVCOU-WCQYABFASA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@H]1CCCCN1C(=O)CN1CCCCC1 ZINC000070921191 359065993 /nfs/dbraw/zinc/06/59/93/359065993.db2.gz BFEMLHOBKFLGPY-ZDUSSCGKSA-N 0 1 238.375 2.263 20 0 BEADMN CC[C@H](C(N)=O)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000246425186 359080765 /nfs/dbraw/zinc/08/07/65/359080765.db2.gz KWBYRJLOGGOMNP-KWCYVHTRSA-N 0 1 246.354 2.128 20 0 BEADMN c1cc2c(s1)CCN(C[C@@H]1CCCO1)C2 ZINC000073368828 359100694 /nfs/dbraw/zinc/10/06/94/359100694.db2.gz QFHJHECBOABPFI-NSHDSACASA-N 0 1 223.341 2.285 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000073619369 359104679 /nfs/dbraw/zinc/10/46/79/359104679.db2.gz DXKXTJVEEGMWHJ-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1nccs1 ZINC000070732166 359063269 /nfs/dbraw/zinc/06/32/69/359063269.db2.gz QYHUWJZMUYBQAU-ZJUUUORDSA-N 0 1 237.372 2.030 20 0 BEADMN COC[C@@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000246539291 359144732 /nfs/dbraw/zinc/14/47/32/359144732.db2.gz QEGWUCPJQAEJFA-HIFRSBDPSA-N 0 1 249.354 2.269 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000246613790 359150832 /nfs/dbraw/zinc/15/08/32/359150832.db2.gz GVCRIVWXMLOGTA-OCCSQVGLSA-N 0 1 247.338 2.113 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)C(C)C ZINC000246779441 359163783 /nfs/dbraw/zinc/16/37/83/359163783.db2.gz PIDTWUZGPZCYJS-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000247247302 359205070 /nfs/dbraw/zinc/20/50/70/359205070.db2.gz PFKJGCMMCQRCIH-OCCSQVGLSA-N 0 1 247.338 2.428 20 0 BEADMN COC[C@@H]1CN([C@H](C)c2cccc(C)c2)CCO1 ZINC000075767367 359210079 /nfs/dbraw/zinc/21/00/79/359210079.db2.gz CPJLUKPKOHMTTE-HIFRSBDPSA-N 0 1 249.354 2.403 20 0 BEADMN c1ccc(CN2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247373586 359216819 /nfs/dbraw/zinc/21/68/19/359216819.db2.gz PIWZWOBRGFXGBQ-CABCVRRESA-N 0 1 247.338 2.066 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1c[nH]cn1 ZINC000077011175 359292243 /nfs/dbraw/zinc/29/22/43/359292243.db2.gz XMNJYAPWAJBRDF-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN CC1(C)CCC[C@@]1(O)CNCc1cscn1 ZINC000292846615 359303087 /nfs/dbraw/zinc/30/30/87/359303087.db2.gz BNOOTZFLTAKTLY-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1CC[C@](C)(O)C1 ZINC000248343653 359267506 /nfs/dbraw/zinc/26/75/06/359267506.db2.gz KOXHNZQVJXSORW-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN CC1=CC[C@](C)(C(=O)N[C@H](C)c2nnc[nH]2)CC1 ZINC000611706379 359425503 /nfs/dbraw/zinc/42/55/03/359425503.db2.gz OHFPRHWPYRWODP-MFKMUULPSA-N 0 1 248.330 2.118 20 0 BEADMN CC(C)OC(=O)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000611501565 359383253 /nfs/dbraw/zinc/38/32/53/359383253.db2.gz FHHWSGDOEJSPQH-QWRGUYRKSA-N 0 1 231.311 2.008 20 0 BEADMN COC(=O)c1cccc(CN2CC=CCC2)c1 ZINC000611517296 359386728 /nfs/dbraw/zinc/38/67/28/359386728.db2.gz OXPSVYJIPFEYFL-UHFFFAOYSA-N 0 1 231.295 2.235 20 0 BEADMN Cc1cnc(CN[C@H]2CSC2(C)C)s1 ZINC000296750805 359514163 /nfs/dbraw/zinc/51/41/63/359514163.db2.gz KIPZOJOVMAXGKO-QMMMGPOBSA-N 0 1 228.386 2.435 20 0 BEADMN CCc1noc(CN[C@H](C)[C@@H](C)CC)n1 ZINC000308935556 491140674 /nfs/dbraw/zinc/14/06/74/491140674.db2.gz KSYPDMNQINOVBL-DTWKUNHWSA-N 0 1 211.309 2.156 20 0 BEADMN COCC(C)(C)CN[C@H]1CCCC1(F)F ZINC000308970318 491141269 /nfs/dbraw/zinc/14/12/69/491141269.db2.gz YVAXUDCUIOQQTK-VIFPVBQESA-N 0 1 221.291 2.436 20 0 BEADMN C[C@H](Cc1ccsc1)Nc1ccnc(N)n1 ZINC000087823032 1172258080 /nfs/dbraw/zinc/25/80/80/1172258080.db2.gz MSTZOXRKEMROGN-MRVPVSSYSA-N 0 1 234.328 2.163 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@H]1CCC[C@H]1C ZINC000450852671 202290150 /nfs/dbraw/zinc/29/01/50/202290150.db2.gz ZRSLQGQIHQHGOA-YPMHNXCESA-N 0 1 237.347 2.047 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380858706 359725001 /nfs/dbraw/zinc/72/50/01/359725001.db2.gz INEHOGMSCMHRKT-PWSUYJOCSA-N 0 1 227.348 2.465 20 0 BEADMN C/C(=C/c1ccccc1)CN(C)Cc1c[nH]nn1 ZINC000450842499 202286182 /nfs/dbraw/zinc/28/61/82/202286182.db2.gz BTRBQVALMGBWTM-WQLSENKSSA-N 0 1 242.326 2.340 20 0 BEADMN CCC[C@H]1CCCN(C(=O)C2(N(C)C)CC2)C1 ZINC000612295083 359774229 /nfs/dbraw/zinc/77/42/29/359774229.db2.gz LHGUFRKOTQOTOM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN COCC[C@@H]1COCCN1CC1=CCCCC1 ZINC000451051722 202339388 /nfs/dbraw/zinc/33/93/88/202339388.db2.gz TWTBNARUKLUGRB-CQSZACIVSA-N 0 1 239.359 2.224 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000578448280 366570978 /nfs/dbraw/zinc/57/09/78/366570978.db2.gz PEARMYMMVYNZHJ-UHFFFAOYSA-N 0 1 249.285 2.049 20 0 BEADMN Cc1nnc(NC(=O)C2(C3CCC3)CCC2)[nH]1 ZINC000578490150 366579058 /nfs/dbraw/zinc/57/90/58/366579058.db2.gz KCDCXKRFTDCGST-UHFFFAOYSA-N 0 1 234.303 2.022 20 0 BEADMN CCOC(=O)c1ccc(CN2C[C@@H](C)[C@H]2C)nc1 ZINC000451074658 202349003 /nfs/dbraw/zinc/34/90/03/202349003.db2.gz XLESWTUSSIBPPX-GHMZBOCLSA-N 0 1 248.326 2.099 20 0 BEADMN CCOC(=O)c1ccc(CN2C[C@H](C)[C@@H]2C)nc1 ZINC000451074660 202348093 /nfs/dbraw/zinc/34/80/93/202348093.db2.gz XLESWTUSSIBPPX-QWRGUYRKSA-N 0 1 248.326 2.099 20 0 BEADMN C[C@@]1(F)CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000451115248 202354178 /nfs/dbraw/zinc/35/41/78/202354178.db2.gz NUFXRZKITVAZMW-CHWSQXEVSA-N 0 1 245.338 2.354 20 0 BEADMN CCn1cc(CCN2CCC[C@](C)(F)C2)cn1 ZINC000451110103 202355557 /nfs/dbraw/zinc/35/55/57/202355557.db2.gz CDBYPFAUBRQLCG-ZDUSSCGKSA-N 0 1 239.338 2.270 20 0 BEADMN CO[C@H](CN1CC[C@@H](F)C1)c1ccccc1 ZINC000451196902 202374968 /nfs/dbraw/zinc/37/49/68/202374968.db2.gz NLXRWRZGKAHEEN-CHWSQXEVSA-N 0 1 223.291 2.418 20 0 BEADMN O[C@H](CCc1ccccc1)CN1CC[C@H](F)C1 ZINC000451197382 202377702 /nfs/dbraw/zinc/37/77/02/202377702.db2.gz OBUVXBPBVNOWLB-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN CC[C@H](N[C@H](C)c1ccccc1F)C(=O)NC ZINC000451278144 202394176 /nfs/dbraw/zinc/39/41/76/202394176.db2.gz CCDMZXAXQXHEFO-SKDRFNHKSA-N 0 1 238.306 2.001 20 0 BEADMN NC1(c2nc([C@@H]3CCCO3)no2)CCCCC1 ZINC000087801178 359931077 /nfs/dbraw/zinc/93/10/77/359931077.db2.gz KCBOHKBVKUAVKU-VIFPVBQESA-N 0 1 237.303 2.039 20 0 BEADMN CC(C)[C@@H]1CC[C@H]1NCc1ncccn1 ZINC000578644325 366613049 /nfs/dbraw/zinc/61/30/49/366613049.db2.gz VXSQJSFZDCQBKR-WDEREUQCSA-N 0 1 205.305 2.001 20 0 BEADMN CC(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000578708805 366628040 /nfs/dbraw/zinc/62/80/40/366628040.db2.gz OJNNUEVQXZTOSP-LBPRGKRZSA-N 0 1 240.391 2.127 20 0 BEADMN CC(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000578708799 366628298 /nfs/dbraw/zinc/62/82/98/366628298.db2.gz OJNNUEVQXZTOSP-GFCCVEGCSA-N 0 1 240.391 2.127 20 0 BEADMN Cc1cc(C)c(C(=O)N2CCN[C@@H](C)C2)c(C)c1 ZINC000088058921 359935263 /nfs/dbraw/zinc/93/52/63/359935263.db2.gz TZIREFXTOBFYSR-ZDUSSCGKSA-N 0 1 246.354 2.046 20 0 BEADMN CCC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000578801172 366650568 /nfs/dbraw/zinc/65/05/68/366650568.db2.gz TZMYGJOCNUXMJC-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN O=C(CCC1CCCCC1)NCc1cnc[nH]1 ZINC000088759244 359977119 /nfs/dbraw/zinc/97/71/19/359977119.db2.gz ILJNTEJJVSXCDR-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN CC(C)[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)CC(N)=O ZINC000089101520 359989983 /nfs/dbraw/zinc/98/99/83/359989983.db2.gz GQQCQNYCKUNVQA-OLZOCXBDSA-N 0 1 240.391 2.399 20 0 BEADMN c1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000089152872 359995691 /nfs/dbraw/zinc/99/56/91/359995691.db2.gz PIWZWOBRGFXGBQ-LSDHHAIUSA-N 0 1 247.338 2.066 20 0 BEADMN CCn1cncc1CNCc1ccc(OC)cc1 ZINC000090169730 360060291 /nfs/dbraw/zinc/06/02/91/360060291.db2.gz NISGUBDPWFTDKP-UHFFFAOYSA-N 0 1 245.326 2.201 20 0 BEADMN Cc1ccc(CNCc2cncn2C(C)C)cn1 ZINC000090209217 360065737 /nfs/dbraw/zinc/06/57/37/360065737.db2.gz DXZCMYNBTQOUIO-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CCc1[nH]ncc1C(=O)N1CCc2ccccc21 ZINC000058504155 360074901 /nfs/dbraw/zinc/07/49/01/360074901.db2.gz JNKKIEWJFSIXFS-UHFFFAOYSA-N 0 1 241.294 2.175 20 0 BEADMN Cc1cc(CNC[C@@H]2Cc3ccccc3O2)no1 ZINC000090874484 360091099 /nfs/dbraw/zinc/09/10/99/360091099.db2.gz VWVNDIZSAYAHJB-ZDUSSCGKSA-N 0 1 244.294 2.076 20 0 BEADMN CCn1nc(C)c(NCc2cn[nH]c2C)c1C ZINC000092567754 360181111 /nfs/dbraw/zinc/18/11/11/360181111.db2.gz JUFJNSJQNIQBQG-UHFFFAOYSA-N 0 1 233.319 2.163 20 0 BEADMN COCc1ccc(CN(C)CCSC)o1 ZINC000093509393 360254841 /nfs/dbraw/zinc/25/48/41/360254841.db2.gz OHKXYZCDJPAALA-UHFFFAOYSA-N 0 1 229.345 2.221 20 0 BEADMN CC(C)N1CCC2(C1)Oc1ccccc1O2 ZINC000095876549 360340314 /nfs/dbraw/zinc/34/03/14/360340314.db2.gz FKMZBRHGBAALQM-UHFFFAOYSA-N 0 1 219.284 2.268 20 0 BEADMN NCc1ccc(-c2nc(C3CCCC3)no2)o1 ZINC000094555368 360312744 /nfs/dbraw/zinc/31/27/44/360312744.db2.gz MTRZJYGYSQUMRL-UHFFFAOYSA-N 0 1 233.271 2.446 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(CN)o1 ZINC000094564329 360312766 /nfs/dbraw/zinc/31/27/66/360312766.db2.gz YOZHGHOOMHZJCF-AOOOYVTPSA-N 0 1 236.315 2.141 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnn(CC(F)F)c1 ZINC000552029203 325588749 /nfs/dbraw/zinc/58/87/49/325588749.db2.gz PVFTZVBGIJTYGL-RKDXNWHRSA-N 0 1 229.274 2.131 20 0 BEADMN CC(C)(C(=O)N[C@H]1CCCC12CC2)c1cnc[nH]1 ZINC000633776299 360472859 /nfs/dbraw/zinc/47/28/59/360472859.db2.gz BODBARBGYSAIOH-JTQLQIEISA-N 0 1 247.342 2.136 20 0 BEADMN Cc1cc(C)cc(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000063117957 360741084 /nfs/dbraw/zinc/74/10/84/360741084.db2.gz OQDFAVXOOSEERK-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN CCCC[C@@H](COC)N[C@H]1CCn2ccnc21 ZINC000449369801 200667135 /nfs/dbraw/zinc/66/71/35/200667135.db2.gz GEIMFNCWQGXEHA-RYUDHWBXSA-N 0 1 237.347 2.123 20 0 BEADMN CCc1nc(SCc2nc(C)oc2C)n[nH]1 ZINC000629111333 360882049 /nfs/dbraw/zinc/88/20/49/360882049.db2.gz JLLHMEAFDYGNOY-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CCc1n[nH]c(SCc2nc(C)oc2C)n1 ZINC000629111333 360882052 /nfs/dbraw/zinc/88/20/52/360882052.db2.gz JLLHMEAFDYGNOY-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000629360426 361008179 /nfs/dbraw/zinc/00/81/79/361008179.db2.gz RHSLOVGWIXCTIC-KWCYVHTRSA-N 0 1 247.338 2.270 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000629362174 361011902 /nfs/dbraw/zinc/01/19/02/361011902.db2.gz OUJYTZQBKRZBTO-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000629362173 361012094 /nfs/dbraw/zinc/01/20/94/361012094.db2.gz OUJYTZQBKRZBTO-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000629363303 361012692 /nfs/dbraw/zinc/01/26/92/361012692.db2.gz DIOSKTOIUXLJKV-OUAUKWLOSA-N 0 1 213.321 2.074 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC(F)(F)CC1 ZINC000629368853 361014898 /nfs/dbraw/zinc/01/48/98/361014898.db2.gz YYIQTKLTSNCUKE-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC(F)(F)CC1 ZINC000629368852 361015592 /nfs/dbraw/zinc/01/55/92/361015592.db2.gz YYIQTKLTSNCUKE-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000629370513 361017917 /nfs/dbraw/zinc/01/79/17/361017917.db2.gz YCPXKFQIJZHGKP-JGVFFNPUSA-N 0 1 223.263 2.073 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000629364831 361018620 /nfs/dbraw/zinc/01/86/20/361018620.db2.gz QLZGJFFOKALFOE-MDZLAQPJSA-N 0 1 225.332 2.075 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CC2)[C@@H]2CCC[C@H]21 ZINC000629372362 361022679 /nfs/dbraw/zinc/02/26/79/361022679.db2.gz BTAVQHSYQCBADW-YNEHKIRRSA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCF)[C@H]2CCC[C@@H]21 ZINC000629374188 361023591 /nfs/dbraw/zinc/02/35/91/361023591.db2.gz TZCXMZQADWLMFY-UTUOFQBUSA-N 0 1 243.322 2.311 20 0 BEADMN CC(C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629374194 361023627 /nfs/dbraw/zinc/02/36/27/361023627.db2.gz UBMICNWDNGVNTC-SDDRHHMPSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H](CN(C)Cc1nccc(N)n1)C(C)(C)C ZINC000640347467 361064827 /nfs/dbraw/zinc/06/48/27/361064827.db2.gz HCXUMUIUVAAYSG-SNVBAGLBSA-N 0 1 236.363 2.003 20 0 BEADMN C[C@@H](CN(C)C[C@@H](C)S(C)(=O)=O)C(C)(C)C ZINC000640348029 361068297 /nfs/dbraw/zinc/06/82/97/361068297.db2.gz MRZBZBVOJUFBOT-WDEREUQCSA-N 0 1 249.420 2.034 20 0 BEADMN Cc1cc(CNC[C@H]2CCCC[N@@H+]2C2CC2)on1 ZINC000631122634 361130732 /nfs/dbraw/zinc/13/07/32/361130732.db2.gz VEMBMPMBUCXSMH-CYBMUJFWSA-N 0 1 249.358 2.090 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1cccc2[nH]nnc21 ZINC000640380640 361189956 /nfs/dbraw/zinc/18/99/56/361189956.db2.gz VYMRXPMDMFSRQO-MRVPVSSYSA-N 0 1 232.287 2.189 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@]3(O)C2)c(Cl)c1 ZINC000640489621 361283999 /nfs/dbraw/zinc/28/39/99/361283999.db2.gz ZIYVMYBAPOKVOJ-AAEUAGOBSA-N 0 1 237.730 2.215 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2C[C@]2(O)C1 ZINC000640478599 361256108 /nfs/dbraw/zinc/25/61/08/361256108.db2.gz WQDNXHPEGSHGSE-CDMKHQONSA-N 0 1 237.730 2.468 20 0 BEADMN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1n[nH]c2ccccc21 ZINC000579070032 366703430 /nfs/dbraw/zinc/70/34/30/366703430.db2.gz QZWPQXDMDFEGDD-BZBKMWRSSA-N 0 1 241.294 2.091 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000579128924 366720652 /nfs/dbraw/zinc/72/06/52/366720652.db2.gz COMCLLIGIYLUEP-RAIGVLPGSA-N 0 1 233.311 2.195 20 0 BEADMN CC[C@H](C)CN(C)Cc1n[nH]c(C(C)C)n1 ZINC000428250028 201003433 /nfs/dbraw/zinc/00/34/33/201003433.db2.gz PLGJYNGRDTUWPA-JTQLQIEISA-N 0 1 224.352 2.406 20 0 BEADMN Cc1nc(CNC2(c3cccc(F)c3)CC2)n[nH]1 ZINC000428325597 201010079 /nfs/dbraw/zinc/01/00/79/201010079.db2.gz HODVCCHIIXFFDD-UHFFFAOYSA-N 0 1 246.289 2.031 20 0 BEADMN CCN(C[C@H]1CCCO1)[C@@H](C)c1cnc(C)cn1 ZINC000428414215 201014350 /nfs/dbraw/zinc/01/43/50/201014350.db2.gz OMRHGEQTECTRJH-QWHCGFSZSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCCCO2)cn1 ZINC000428456072 201019499 /nfs/dbraw/zinc/01/94/99/201019499.db2.gz GYJJMLGOTQNIBG-STQMWFEESA-N 0 1 249.358 2.347 20 0 BEADMN CCCc1nc(C)c(CN(C)CCCOC)o1 ZINC000428468262 201021199 /nfs/dbraw/zinc/02/11/99/201021199.db2.gz DFGWRYZWOZPRHM-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN CO[C@@]1(C)CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428940624 201049333 /nfs/dbraw/zinc/04/93/33/201049333.db2.gz QWQWJZJTQNPUKI-JSGCOSHPSA-N 0 1 249.358 2.347 20 0 BEADMN CCC(CC)N(CC)Cc1nnc(C)[nH]1 ZINC000428940482 201050514 /nfs/dbraw/zinc/05/05/14/201050514.db2.gz QIRANGYDKNCNCV-UHFFFAOYSA-N 0 1 210.325 2.124 20 0 BEADMN CCN1[C@H](C)CN(C(=O)CC2(C)CC2)C[C@@H]1C ZINC000640608220 361329338 /nfs/dbraw/zinc/32/93/38/361329338.db2.gz NOYXAQBGBHLUIO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640616774 361332986 /nfs/dbraw/zinc/33/29/86/361332986.db2.gz QXEIAKXNDDQWHF-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C(C)(C)CC)C[C@@H]1C ZINC000640617514 361334066 /nfs/dbraw/zinc/33/40/66/361334066.db2.gz MIFMYCDPGWOMJE-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CSCCCN(C)Cc1n[nH]c(C(C)C)n1 ZINC000428969452 201053972 /nfs/dbraw/zinc/05/39/72/201053972.db2.gz ROIFPJQHWIALIV-UHFFFAOYSA-N 0 1 242.392 2.113 20 0 BEADMN CCc1nc(CN[C@H](C)c2cc(C)oc2C)n[nH]1 ZINC000162463544 361352822 /nfs/dbraw/zinc/35/28/22/361352822.db2.gz NYAMPQQCGXYWCZ-SECBINFHSA-N 0 1 248.330 2.428 20 0 BEADMN CC[C@H]1CN([C@@H](C)c2cnc(C)cn2)CCCO1 ZINC000428970774 201056295 /nfs/dbraw/zinc/05/62/95/201056295.db2.gz UXNWHMLEVLZSFF-STQMWFEESA-N 0 1 249.358 2.347 20 0 BEADMN CCN(CCCC(C)C)[C@@H](C)CS(C)(=O)=O ZINC000429042166 201061609 /nfs/dbraw/zinc/06/16/09/201061609.db2.gz AMOUCJVGNAOURF-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CCS(=O)(=O)C[C@H](C)N(C)CCCC(C)C ZINC000429050694 201063320 /nfs/dbraw/zinc/06/33/20/201063320.db2.gz UXTSOFKRNNZCDV-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CC(C)CCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000429056099 201064530 /nfs/dbraw/zinc/06/45/30/201064530.db2.gz YASRCWKZLQDWKA-NEPJUHHUSA-N 0 1 249.420 2.176 20 0 BEADMN CCC1(NCc2ccoc2C(=O)OC)CC1 ZINC000379727699 361364247 /nfs/dbraw/zinc/36/42/47/361364247.db2.gz YLDWIPFFIICNLI-UHFFFAOYSA-N 0 1 223.272 2.098 20 0 BEADMN OCC1(NCc2ccc(Cl)cc2F)CC1 ZINC000162984870 361374752 /nfs/dbraw/zinc/37/47/52/361374752.db2.gz MPQIRVRCCGGPLK-UHFFFAOYSA-N 0 1 229.682 2.094 20 0 BEADMN CCN(CC(=O)N(C)[C@@H]1CC[C@H](C)C1)C1CC1 ZINC000429251456 201082620 /nfs/dbraw/zinc/08/26/20/201082620.db2.gz BHMLJPDWWNXQIS-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)C(C)(C)C1 ZINC000579263460 366751659 /nfs/dbraw/zinc/75/16/59/366751659.db2.gz YHYHAPWRGLGJJO-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CC[C@@H]1CCN1CC(=O)N(CC(C)C)C(C)C ZINC000429291081 201093918 /nfs/dbraw/zinc/09/39/18/201093918.db2.gz FMUBKCCSGHESOG-CYBMUJFWSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@H](CSC)C1 ZINC000429290963 201094629 /nfs/dbraw/zinc/09/46/29/201094629.db2.gz HCRLDJQQGGDFFB-WDEREUQCSA-N 0 1 245.388 2.013 20 0 BEADMN Cc1nsc(C)c1C[N@H+](C)[C@H](C)C(C)(C)O ZINC000579369754 366769437 /nfs/dbraw/zinc/76/94/37/366769437.db2.gz LZHULPYSFRWLOQ-SNVBAGLBSA-N 0 1 242.388 2.351 20 0 BEADMN Cc1cc(CN2CCc3n[nH]nc3C2)c(C)s1 ZINC000429290502 201097216 /nfs/dbraw/zinc/09/72/16/201097216.db2.gz GTJUFVKBIJSBTR-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CCCN(CCCF)[C@H](C)C(=O)OCC ZINC000429704073 201127941 /nfs/dbraw/zinc/12/79/41/201127941.db2.gz UEHOWWFZPHPCQB-SNVBAGLBSA-N 0 1 219.300 2.010 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1ccc(Cl)o1 ZINC000579456139 366810347 /nfs/dbraw/zinc/81/03/47/366810347.db2.gz AOCLOSTUFBXFGE-SNVBAGLBSA-N 0 1 242.750 2.459 20 0 BEADMN C[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000381454361 361463285 /nfs/dbraw/zinc/46/32/85/361463285.db2.gz HTFBUIPGMVPVOC-SCZZXKLOSA-N 0 1 221.304 2.225 20 0 BEADMN Cc1nc([C@@H](C)NCC[C@H](C)O)c(C)s1 ZINC000082993209 491158247 /nfs/dbraw/zinc/15/82/47/491158247.db2.gz KVJYYNGQIQYIIF-JGVFFNPUSA-N 0 1 228.361 2.181 20 0 BEADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@@H]2C)n1 ZINC000381567973 361478941 /nfs/dbraw/zinc/47/89/41/361478941.db2.gz VMRIHINHRVHHSS-LPEHRKFASA-N 0 1 223.320 2.471 20 0 BEADMN OCC1([C@@H](NCCF)c2ccccc2)CCC1 ZINC000433304241 201179181 /nfs/dbraw/zinc/17/91/81/201179181.db2.gz KKTHZURSXOXLMI-ZDUSSCGKSA-N 0 1 237.318 2.449 20 0 BEADMN COCC1(NCc2cc(C)no2)CCCC1 ZINC000631172066 361564379 /nfs/dbraw/zinc/56/43/79/361564379.db2.gz MEQWWMZLIJUUDG-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN C[C@@H](Cc1nc([C@H]2CCCN2)no1)C(F)(F)F ZINC000629675563 361598347 /nfs/dbraw/zinc/59/83/47/361598347.db2.gz XWNVFSJSYHCTHX-NKWVEPMBSA-N 0 1 249.236 2.235 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC000434485062 201220707 /nfs/dbraw/zinc/22/07/07/201220707.db2.gz SQNYFUJILQHFSE-GFCCVEGCSA-N 0 1 236.363 2.337 20 0 BEADMN CCC(C)(C)CCN(C)Cc1nnc[nH]1 ZINC000434614057 201228177 /nfs/dbraw/zinc/22/81/77/201228177.db2.gz HGPSGJHZEUTANV-UHFFFAOYSA-N 0 1 210.325 2.063 20 0 BEADMN Cc1cnc([C@H](C)N(C)CCCCCO)o1 ZINC000434683372 201233838 /nfs/dbraw/zinc/23/38/38/201233838.db2.gz GFZSXNDLKMSVDW-NSHDSACASA-N 0 1 226.320 2.138 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000153881416 201252905 /nfs/dbraw/zinc/25/29/05/201252905.db2.gz QBIIGRQGLWMKAC-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)C[C@H]1CCN(Cc2cnns2)C1 ZINC000448553772 201253884 /nfs/dbraw/zinc/25/38/84/201253884.db2.gz DSCQMPFMTKGAKH-SNVBAGLBSA-N 0 1 225.361 2.406 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153957051 201256009 /nfs/dbraw/zinc/25/60/09/201256009.db2.gz GOQIHQZXOJCTEI-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN CCc1ncsc1NC(=O)c1ncccc1O ZINC000154023906 201258323 /nfs/dbraw/zinc/25/83/23/201258323.db2.gz KOEPDUIESBFEEO-UHFFFAOYSA-N 0 1 249.295 2.058 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)C2CC(C)(C)C2)n1 ZINC000448556688 201262364 /nfs/dbraw/zinc/26/23/64/201262364.db2.gz QPMQUSGIQPVRLS-UHFFFAOYSA-N 0 1 249.358 2.365 20 0 BEADMN c1cncc(-c2ccc([C@@H]3COCCN3)cc2)c1 ZINC000629711307 361647396 /nfs/dbraw/zinc/64/73/96/361647396.db2.gz CMDKBJZBFLOXHO-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN CC1=CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000436257047 201315694 /nfs/dbraw/zinc/31/56/94/201315694.db2.gz DQVRLNYPZPDJJM-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)cc1O ZINC000436821328 201339234 /nfs/dbraw/zinc/33/92/34/201339234.db2.gz OVCUIXOLGVNGLX-GDGBQDQQSA-N 0 1 235.258 2.060 20 0 BEADMN Cc1ccc(CN[C@H](CO)c2ccccc2)cn1 ZINC000155951114 201377228 /nfs/dbraw/zinc/37/72/28/201377228.db2.gz NAAMSTWOTKUVIJ-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1CC[C@H]1C1CC1 ZINC000348331810 541305635 /nfs/dbraw/zinc/30/56/35/541305635.db2.gz KNAWBYFWVMSEFT-RYUDHWBXSA-N 0 1 248.374 2.311 20 0 BEADMN NCC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000237987072 181355012 /nfs/dbraw/zinc/35/50/12/181355012.db2.gz JBLWUNALLQBJOW-UHFFFAOYSA-N 0 1 246.232 2.079 20 0 BEADMN CC/C=C\CCN1CC[S@](=O)CC[C@H]1C ZINC000617907301 364085166 /nfs/dbraw/zinc/08/51/66/364085166.db2.gz WAYOGBJSMYFURJ-XWNLZXIHSA-N 0 1 229.389 2.186 20 0 BEADMN COc1ccccc1[C@@H](CO)NCC=C(C)C ZINC000541983091 364056969 /nfs/dbraw/zinc/05/69/69/364056969.db2.gz KOEJEWDQPJOGIX-CYBMUJFWSA-N 0 1 235.327 2.284 20 0 BEADMN CC[C@@H](C(=O)OC)N(C)CCC(C)(C)C ZINC000614918363 364086823 /nfs/dbraw/zinc/08/68/23/364086823.db2.gz PJJALHDRHGNQBW-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000252357 181356609 /nfs/dbraw/zinc/35/66/09/181356609.db2.gz IEROOQILFMDTCS-UHFFFAOYSA-N 0 1 242.278 2.376 20 0 BEADMN CCC[C@@H](CCO)N[C@@H](C)c1cc(C)on1 ZINC000631670428 364198994 /nfs/dbraw/zinc/19/89/94/364198994.db2.gz VDKJWUCFZBSZEM-QWRGUYRKSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1ccn(C)c1 ZINC000092328164 541345521 /nfs/dbraw/zinc/34/55/21/541345521.db2.gz IFJUUYJYOLAVSD-VIFPVBQESA-N 0 1 233.315 2.481 20 0 BEADMN NCc1nccn1C[C@@H]1CCc2ccccc2C1 ZINC000630583803 364285674 /nfs/dbraw/zinc/28/56/74/364285674.db2.gz LTAVJFIDAPANDK-GFCCVEGCSA-N 0 1 241.338 2.147 20 0 BEADMN NCc1nccn1CC[C@@H]1CCc2ccccc21 ZINC000630583532 364286658 /nfs/dbraw/zinc/28/66/58/364286658.db2.gz HXUUHWFPOAUSKZ-ZDUSSCGKSA-N 0 1 241.338 2.462 20 0 BEADMN Cc1ccccc1CCCn1ccnc1CN ZINC000630583883 364287631 /nfs/dbraw/zinc/28/76/31/364287631.db2.gz OGBCAWFZDKLQBD-UHFFFAOYSA-N 0 1 229.327 2.283 20 0 BEADMN CSc1ccccc1Cn1ccnc1CN ZINC000630584484 364291073 /nfs/dbraw/zinc/29/10/73/364291073.db2.gz ZFPDNVATOMGDRR-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN CNC(C)(C)c1cn([C@@H]2CC[C@@H](C)C2)nn1 ZINC000630601936 364317136 /nfs/dbraw/zinc/31/71/36/364317136.db2.gz DDMIXYKELFYHDL-NXEZZACHSA-N 0 1 222.336 2.094 20 0 BEADMN Cc1nc2ccc(NC(=O)C3CSC3)cc2[nH]1 ZINC000630624145 364361871 /nfs/dbraw/zinc/36/18/71/364361871.db2.gz CXIUMJFBVCTPBM-UHFFFAOYSA-N 0 1 247.323 2.173 20 0 BEADMN CC[C@](C)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC000618962767 364423585 /nfs/dbraw/zinc/42/35/85/364423585.db2.gz XHAXTMSBBOSELZ-ZDUSSCGKSA-N 0 1 235.331 2.037 20 0 BEADMN CCN(CC1CC1)[C@@H](C)c1nc(COC)no1 ZINC000181872904 366853230 /nfs/dbraw/zinc/85/32/30/366853230.db2.gz YPQKMZKCBPFIFH-VIFPVBQESA-N 0 1 239.319 2.009 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccccc1 ZINC000615217656 364638097 /nfs/dbraw/zinc/63/80/97/364638097.db2.gz RUCFCFGDISJMAR-UHFFFAOYSA-N 0 1 215.256 2.224 20 0 BEADMN CC[C@@H]1CCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000268105521 364729056 /nfs/dbraw/zinc/72/90/56/364729056.db2.gz BFTJOIAAGOHQSX-BDAKNGLRSA-N 0 1 231.303 2.344 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000167585021 364798099 /nfs/dbraw/zinc/79/80/99/364798099.db2.gz LHRZGQAGXOFXPP-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1CCCN(Cc2ncccn2)CC1 ZINC000191968435 364777476 /nfs/dbraw/zinc/77/74/76/364777476.db2.gz KDHAJKOSTFPGCY-NSHDSACASA-N 0 1 205.305 2.099 20 0 BEADMN CCc1nc(CNCc2csc(C)c2)n[nH]1 ZINC000295920816 364781870 /nfs/dbraw/zinc/78/18/70/364781870.db2.gz FAUXVQBEIKIVBT-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CCc1nc(CNCc2ccc(F)cc2C)n[nH]1 ZINC000296166819 364782170 /nfs/dbraw/zinc/78/21/70/364782170.db2.gz WXJQYDKRFQFUFI-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CCCC(C)C ZINC000573656150 364884721 /nfs/dbraw/zinc/88/47/21/364884721.db2.gz SUPYZMMBACZHOZ-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C(=O)N(C)[C@H]1CCc2ccccc21)N(C)C ZINC000145793777 541431451 /nfs/dbraw/zinc/43/14/51/541431451.db2.gz BSWPWSUWXFKKJC-RISCZKNCSA-N 0 1 246.354 2.082 20 0 BEADMN CCC[C@H](NC(=O)CCc1cnc[nH]1)C1CCC1 ZINC000458343268 541431548 /nfs/dbraw/zinc/43/15/48/541431548.db2.gz VMZPSSBTCDWTSQ-ZDUSSCGKSA-N 0 1 249.358 2.427 20 0 BEADMN CO[C@H](c1ccccc1)[C@@H](C)NCc1cc[nH]n1 ZINC000574389331 365049795 /nfs/dbraw/zinc/04/97/95/365049795.db2.gz GMXVMGYRNXHQIC-RISCZKNCSA-N 0 1 245.326 2.276 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000574416626 365058934 /nfs/dbraw/zinc/05/89/34/365058934.db2.gz OBMRFKDIWHKILF-IUCAKERBSA-N 0 1 233.315 2.042 20 0 BEADMN C[C@@H]1CCCC[N@H+](Cc2ncccc2[O-])C1 ZINC000574440784 365061962 /nfs/dbraw/zinc/06/19/62/365061962.db2.gz ZNZLAWOPQLBAAK-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000574440784 365061970 /nfs/dbraw/zinc/06/19/70/365061970.db2.gz ZNZLAWOPQLBAAK-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@H](O)CNc1ccc2cnccc2c1 ZINC000574445915 365063891 /nfs/dbraw/zinc/06/38/91/365063891.db2.gz JNRXISQUVNJPQQ-VIFPVBQESA-N 0 1 202.257 2.028 20 0 BEADMN COCCOCC[N@@H+](C)Cc1ccc(Cl)o1 ZINC000574320337 365035799 /nfs/dbraw/zinc/03/57/99/365035799.db2.gz STBYVKGMYRRGSC-UHFFFAOYSA-N 0 1 247.722 2.028 20 0 BEADMN COCCOCCN(C)Cc1ccc(Cl)o1 ZINC000574320337 365035805 /nfs/dbraw/zinc/03/58/05/365035805.db2.gz STBYVKGMYRRGSC-UHFFFAOYSA-N 0 1 247.722 2.028 20 0 BEADMN CCN(C(=O)[C@@H](C)N1CC(C)C1)[C@@H](C)C(C)C ZINC000574582982 365096394 /nfs/dbraw/zinc/09/63/94/365096394.db2.gz PLKGLMIKCNNJBB-QWHCGFSZSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CCC)C1 ZINC000574645141 365111532 /nfs/dbraw/zinc/11/15/32/365111532.db2.gz SMYXMLQIUTWZQP-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](CCC)C1 ZINC000574645141 365111536 /nfs/dbraw/zinc/11/15/36/365111536.db2.gz SMYXMLQIUTWZQP-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NCc1ccn(C)n1 ZINC000574645884 365111617 /nfs/dbraw/zinc/11/16/17/365111617.db2.gz UIHZBUQUZUWBAU-OLZOCXBDSA-N 0 1 221.348 2.334 20 0 BEADMN CN(CCCO)Cc1cnc(C2CCC2)s1 ZINC000442961104 193008285 /nfs/dbraw/zinc/00/82/85/193008285.db2.gz CGDOVOPSOVACLY-UHFFFAOYSA-N 0 1 240.372 2.225 20 0 BEADMN CO[C@H](C)CNCc1coc(-c2ccccc2)n1 ZINC000443000228 193008935 /nfs/dbraw/zinc/00/89/35/193008935.db2.gz MVUKXNILZDYZGZ-LLVKDONJSA-N 0 1 246.310 2.466 20 0 BEADMN Cc1ccc(CCNCc2cc(C)on2)o1 ZINC000575146455 365222540 /nfs/dbraw/zinc/22/25/40/365222540.db2.gz BXYXWNXIWKOECF-UHFFFAOYSA-N 0 1 220.272 2.217 20 0 BEADMN Cc1cncc(NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000443948885 193031435 /nfs/dbraw/zinc/03/14/35/193031435.db2.gz RPTRDLMCHGPPFV-UHFFFAOYSA-N 0 1 248.374 2.319 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1 ZINC000622272732 370812814 /nfs/dbraw/zinc/81/28/14/370812814.db2.gz FUBOQGWTALNTDY-SNVBAGLBSA-N 0 1 229.283 2.227 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)Cc1ncccn1 ZINC000192214590 365284102 /nfs/dbraw/zinc/28/41/02/365284102.db2.gz KXBONKIDJRONHD-VXGBXAGGSA-N 0 1 219.332 2.487 20 0 BEADMN CC[C@H](C)N(C)Cc1nc(-c2cccnc2)no1 ZINC000172160202 365297154 /nfs/dbraw/zinc/29/71/54/365297154.db2.gz WQJADGKOBUKGJJ-JTQLQIEISA-N 0 1 246.314 2.362 20 0 BEADMN C[C@H]1OCC[C@@H]1NCc1noc2ccccc21 ZINC000575761511 365356001 /nfs/dbraw/zinc/35/60/01/365356001.db2.gz CWHORRUIRVLIQY-KOLCDFICSA-N 0 1 232.283 2.095 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000575802090 365367691 /nfs/dbraw/zinc/36/76/91/365367691.db2.gz CJFUWUWSSWLWQU-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccncc1 ZINC000172862726 365384629 /nfs/dbraw/zinc/38/46/29/365384629.db2.gz RTFUXTAVZBZEOC-NWDGAFQWSA-N 0 1 247.342 2.141 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)n[nH]1 ZINC000172999157 365392938 /nfs/dbraw/zinc/39/29/38/365392938.db2.gz AVPQRSQWUHNYFV-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN Fc1ccc([C@H](NCC2CC2)c2cn[nH]n2)cc1 ZINC000575877534 365401513 /nfs/dbraw/zinc/40/15/13/365401513.db2.gz XRPJVPYOZIHOPB-ZDUSSCGKSA-N 0 1 246.289 2.033 20 0 BEADMN Cc1nc(CN[C@@H]2C=CCCC2)[nH]c1C ZINC000576053361 365467825 /nfs/dbraw/zinc/46/78/25/365467825.db2.gz LRWXJJYPVMIPFM-LLVKDONJSA-N 0 1 205.305 2.225 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000576066259 365473144 /nfs/dbraw/zinc/47/31/44/365473144.db2.gz JOCZTROWDFCPLB-GHMZBOCLSA-N 0 1 245.244 2.371 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccsc2C1 ZINC000576114080 365492112 /nfs/dbraw/zinc/49/21/12/365492112.db2.gz KJAGGCHHDAJSGF-JTQLQIEISA-N 0 1 239.340 2.360 20 0 BEADMN CCCC[C@H](C(=O)OC)N(CC)C[C@@H](C)OC ZINC000361567564 366943592 /nfs/dbraw/zinc/94/35/92/366943592.db2.gz XDIUWBAKHQIQJV-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CCC(CC)(CC)NCc1nc(COC)no1 ZINC000182677778 366930210 /nfs/dbraw/zinc/93/02/10/366930210.db2.gz ZKQPMKFHAFZWIA-UHFFFAOYSA-N 0 1 241.335 2.274 20 0 BEADMN COc1ccccc1C(C)(C)NCC1=NOCC1 ZINC001642250743 1172336661 /nfs/dbraw/zinc/33/66/61/1172336661.db2.gz YNCMJKMXTWQWGL-UHFFFAOYSA-N 0 1 248.326 2.296 20 0 BEADMN c1nc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)co1 ZINC000655810547 541482414 /nfs/dbraw/zinc/48/24/14/541482414.db2.gz FSFFQMNPCOBFOA-STQMWFEESA-N 0 1 236.315 2.112 20 0 BEADMN c1c([C@@H]2CCCCN2)nnn1Cc1ccccc1 ZINC000685947604 541496605 /nfs/dbraw/zinc/49/66/05/541496605.db2.gz XTCUTJGUTUANGP-ZDUSSCGKSA-N 0 1 242.326 2.141 20 0 BEADMN CCC1(CNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000178175177 541503508 /nfs/dbraw/zinc/50/35/08/541503508.db2.gz WADTWKUNMRONEB-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H]1CCCC[C@H]1OCCNCc1cnccn1 ZINC000579683226 366976014 /nfs/dbraw/zinc/97/60/14/366976014.db2.gz UNKYISDWDWRTNY-TZMCWYRMSA-N 0 1 249.358 2.162 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@]1(C)C(=O)[O-] ZINC000579719809 366991845 /nfs/dbraw/zinc/99/18/45/366991845.db2.gz IOFXTAPHFGWIFF-MFKMUULPSA-N 0 1 227.348 2.465 20 0 BEADMN CCC1CN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000453608967 202783208 /nfs/dbraw/zinc/78/32/08/202783208.db2.gz VMSYZMPLRBHLIS-UHFFFAOYSA-N 0 1 221.348 2.480 20 0 BEADMN CCC1CN(Cc2ccc(OC)c(O)c2)C1 ZINC000453610678 202785003 /nfs/dbraw/zinc/78/50/03/202785003.db2.gz XXZSFMNOCNBUJA-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN C[C@@H]1CC(Nc2ccncc2C(N)=O)C[C@@H](C)C1 ZINC000184121359 367064899 /nfs/dbraw/zinc/06/48/99/367064899.db2.gz WBVUMYSHHFAVBX-UWVGGRQHSA-N 0 1 247.342 2.417 20 0 BEADMN c1cncc(C2CCN(CC3=NOCC3)CC2)c1 ZINC001642299970 1172343675 /nfs/dbraw/zinc/34/36/75/1172343675.db2.gz HMHYBBVVRDLMMS-UHFFFAOYSA-N 0 1 245.326 2.037 20 0 BEADMN CCn1ncnc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000193358110 367171040 /nfs/dbraw/zinc/17/10/40/367171040.db2.gz MLRHOPVPCNZYSS-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)(C)c1nc(CSc2cccnn2)n[nH]1 ZINC000580811086 367174262 /nfs/dbraw/zinc/17/42/62/367174262.db2.gz XVNFMPMFMRUBKG-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000580842311 367184816 /nfs/dbraw/zinc/18/48/16/367184816.db2.gz CGZUHBQHIMUGOZ-VXGBXAGGSA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nc(C2CC2)nn1C ZINC000580772208 367161726 /nfs/dbraw/zinc/16/17/26/367161726.db2.gz WTZDXLBFNINHHE-JQWIXIFHSA-N 0 1 248.374 2.313 20 0 BEADMN CCCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000580964059 367221215 /nfs/dbraw/zinc/22/12/15/367221215.db2.gz LPXOEUIMZMDQON-HBNTYKKESA-N 0 1 213.321 2.360 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])[C@@H]1CC1(C)C ZINC000580898255 367202361 /nfs/dbraw/zinc/20/23/61/367202361.db2.gz WYEOZIQJTUSRCQ-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](F)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000580904138 367204124 /nfs/dbraw/zinc/20/41/24/367204124.db2.gz DCMMFPXBGIRNMS-BDAKNGLRSA-N 0 1 217.284 2.062 20 0 BEADMN COC[C@@H](C)N(C)Cc1ccccc1F ZINC000193891067 367223462 /nfs/dbraw/zinc/22/34/62/367223462.db2.gz XXRCBQZVTWGLKW-SNVBAGLBSA-N 0 1 211.280 2.292 20 0 BEADMN COC[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000193898740 367225984 /nfs/dbraw/zinc/22/59/84/367225984.db2.gz AUQVDSALHSOBST-JTQLQIEISA-N 0 1 234.299 2.295 20 0 BEADMN NC1(c2noc(/C=C\C3CC3)n2)CCCC1 ZINC000581011376 367233687 /nfs/dbraw/zinc/23/36/87/367233687.db2.gz PANATTJSIRWWLO-WAYWQWQTSA-N 0 1 219.288 2.221 20 0 BEADMN O=C([O-])C[N@H+](CCc1ccccc1)CCC1CC1 ZINC000581016981 367237322 /nfs/dbraw/zinc/23/73/22/367237322.db2.gz MJLZTYBEPHMBLQ-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN CC[N@@H+](CC(N)=O)Cc1cccc2ccccc21 ZINC000194987973 367328255 /nfs/dbraw/zinc/32/82/55/367328255.db2.gz JRPROISGJDJBEA-UHFFFAOYSA-N 0 1 242.322 2.147 20 0 BEADMN CCN(CC(N)=O)Cc1cccc2ccccc21 ZINC000194987973 367328258 /nfs/dbraw/zinc/32/82/58/367328258.db2.gz JRPROISGJDJBEA-UHFFFAOYSA-N 0 1 242.322 2.147 20 0 BEADMN CCn1nc(C)c(CNCC2(F)CC2)c1C ZINC000381151238 367356418 /nfs/dbraw/zinc/35/64/18/367356418.db2.gz ARSPTWGPZACPHV-UHFFFAOYSA-N 0 1 225.311 2.112 20 0 BEADMN COC[C@H](C)N(C)Cc1ccc(F)cc1F ZINC000195006321 367332549 /nfs/dbraw/zinc/33/25/49/367332549.db2.gz VTUIYLGDVADCIP-VIFPVBQESA-N 0 1 229.270 2.432 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CCCCF)C1 ZINC000380757857 367296835 /nfs/dbraw/zinc/29/68/35/367296835.db2.gz VKNMQLUFSSTZOL-LBPRGKRZSA-N 0 1 231.311 2.169 20 0 BEADMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCCF)CC1CC1 ZINC000581262599 367313761 /nfs/dbraw/zinc/31/37/61/367313761.db2.gz YRFZQOSYQCECBB-LBPRGKRZSA-N 0 1 231.311 2.311 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCCC[C@@H](SC)C1 ZINC000581374989 367405987 /nfs/dbraw/zinc/40/59/87/367405987.db2.gz KRSWKXAHNXTFKE-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000381548983 367428273 /nfs/dbraw/zinc/42/82/73/367428273.db2.gz UERIMWBYRLBSKF-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@H]1CCCC1(F)F ZINC000381558685 367430049 /nfs/dbraw/zinc/43/00/49/367430049.db2.gz HNVSIRFBDJGJTG-SNVBAGLBSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1cc([C@H](C)NCC(=O)NC(C)C)cs1 ZINC000381602674 367436123 /nfs/dbraw/zinc/43/61/23/367436123.db2.gz NMYMSADXGPAITM-JTQLQIEISA-N 0 1 240.372 2.232 20 0 BEADMN CC1(C[N@H+]2CCSC[C@H]2CC(=O)[O-])CCC1 ZINC000381669247 367446367 /nfs/dbraw/zinc/44/63/67/367446367.db2.gz WGMZAVXRHJHFKW-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN Cc1ccc(CCN[C@H]2CCn3ccnc32)o1 ZINC000581530559 367553415 /nfs/dbraw/zinc/55/34/15/367553415.db2.gz ZIKYPPVNHQGRME-LBPRGKRZSA-N 0 1 231.299 2.062 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000382334935 367509852 /nfs/dbraw/zinc/50/98/52/367509852.db2.gz YYVJEPJFVKQKRN-UHFFFAOYSA-N 0 1 222.288 2.010 20 0 BEADMN CC/C=C\CN[C@@H](C)c1nccnc1C ZINC000384710077 367718841 /nfs/dbraw/zinc/71/88/41/367718841.db2.gz DFIXXVLNWJIXFH-OMMCCPJFSA-N 0 1 205.305 2.402 20 0 BEADMN CCc1cnc(CN[C@@H](C)CC(C)(C)O)s1 ZINC000384820488 367737974 /nfs/dbraw/zinc/73/79/74/367737974.db2.gz FAMHNFFXFDLJGC-VIFPVBQESA-N 0 1 242.388 2.345 20 0 BEADMN C[C@@H](NCC1=NOCC1)c1ccccc1 ZINC001642408369 1172357329 /nfs/dbraw/zinc/35/73/29/1172357329.db2.gz NMXZGWKCJKPZIK-SNVBAGLBSA-N 0 1 204.273 2.114 20 0 BEADMN CC[C@H](CNC(C)(C)c1nccs1)OC ZINC000386291663 367946334 /nfs/dbraw/zinc/94/63/34/367946334.db2.gz PROWLHMVUBQLCK-SECBINFHSA-N 0 1 228.361 2.393 20 0 BEADMN CCc1nc(SCc2csc(C)n2)n[nH]1 ZINC000021896321 367980395 /nfs/dbraw/zinc/98/03/95/367980395.db2.gz ZVHLOPMAZPUPFF-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1n[nH]c(SCc2csc(C)n2)n1 ZINC000021896321 367980398 /nfs/dbraw/zinc/98/03/98/367980398.db2.gz ZVHLOPMAZPUPFF-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CC[C@]1(C)CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000566359355 326037016 /nfs/dbraw/zinc/03/70/16/326037016.db2.gz RJMXZWNPDDFPIF-WCQYABFASA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000622403268 370898461 /nfs/dbraw/zinc/89/84/61/370898461.db2.gz QPWJUEBZECBVFQ-ZCFIWIBFSA-N 0 1 247.220 2.053 20 0 BEADMN CCC[C@@H](CC)NC(=O)CN1CCC(C)(C)C1 ZINC000582011922 368152468 /nfs/dbraw/zinc/15/24/68/368152468.db2.gz QNJOBFZEJHWCAS-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000030512711 368247296 /nfs/dbraw/zinc/24/72/96/368247296.db2.gz PYWFTGQVVWXLBT-UWVGGRQHSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000030512704 368247330 /nfs/dbraw/zinc/24/73/30/368247330.db2.gz PYWFTGQVVWXLBT-NXEZZACHSA-N 0 1 247.342 2.405 20 0 BEADMN CCCCN(C(=O)[C@H](C)N1CC(C)C1)C1CC1 ZINC000566433101 326046631 /nfs/dbraw/zinc/04/66/31/326046631.db2.gz NWVKTXGCLCCFEC-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Fc1ccccc1N1CCN(CC2CC2)CC1 ZINC000039387305 368274924 /nfs/dbraw/zinc/27/49/24/368274924.db2.gz DPZQAUFZYRJUMA-UHFFFAOYSA-N 0 1 234.318 2.358 20 0 BEADMN O=C(CCC1CC1)NCc1ccc2nc[nH]c2c1 ZINC000615790122 368307957 /nfs/dbraw/zinc/30/79/57/368307957.db2.gz QMKULRFMHCOJSW-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN CC(C)CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000043084703 368386597 /nfs/dbraw/zinc/38/65/97/368386597.db2.gz MBVFWPAUIWUWLH-OLZOCXBDSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cnccc1CCN(C(C)C)C1COC1 ZINC000566617786 326068538 /nfs/dbraw/zinc/06/85/38/326068538.db2.gz UJWCRBOFPOQUTI-UHFFFAOYSA-N 0 1 234.343 2.042 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000044539025 368422326 /nfs/dbraw/zinc/42/23/26/368422326.db2.gz XZKPSSBNZBNLIU-NSHDSACASA-N 0 1 247.323 2.449 20 0 BEADMN CC[N@@H+](Cc1ncccc1[O-])CC(C)C ZINC000566824169 326086193 /nfs/dbraw/zinc/08/61/93/326086193.db2.gz SHMNMODSDFJXHS-UHFFFAOYSA-N 0 1 208.305 2.265 20 0 BEADMN CC[N@H+](Cc1ncccc1[O-])CC(C)C ZINC000566824169 326086196 /nfs/dbraw/zinc/08/61/96/326086196.db2.gz SHMNMODSDFJXHS-UHFFFAOYSA-N 0 1 208.305 2.265 20 0 BEADMN CN(C)C1(C(=O)NCC(C)(C)C2CCC2)CC1 ZINC000615831547 368480342 /nfs/dbraw/zinc/48/03/42/368480342.db2.gz DATADJJAIZQDGL-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CN(C)C1(C(=O)NCC2CCCCCC2)CC1 ZINC000615833388 368491635 /nfs/dbraw/zinc/49/16/35/368491635.db2.gz YOCMCEJTWRYLSB-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1scc(CNCc2ccnn2C)c1C ZINC000399770909 368563747 /nfs/dbraw/zinc/56/37/47/368563747.db2.gz MXRSERFWQHXHLJ-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN c1cc(-c2noc([C@@H]3CCCCCN3)n2)ccn1 ZINC000080988767 368563254 /nfs/dbraw/zinc/56/32/54/368563254.db2.gz VQOXQUWPSSBNRN-NSHDSACASA-N 0 1 244.298 2.336 20 0 BEADMN CCCC1(CNC(=O)CN(CC)C2CC2)CC1 ZINC000153718022 326110041 /nfs/dbraw/zinc/11/00/41/326110041.db2.gz RKZXEVYUSOUEBD-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1scc(CNCc2cnn(C)c2)c1C ZINC000399781715 368581593 /nfs/dbraw/zinc/58/15/93/368581593.db2.gz UXWJOWYMNPWDSE-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN COc1ccc([C@@H](C)NCC2=NOCC2)cc1 ZINC001642489827 1172368320 /nfs/dbraw/zinc/36/83/20/1172368320.db2.gz FVYDTDMGFFEXFE-SNVBAGLBSA-N 0 1 234.299 2.122 20 0 BEADMN CCN(CC)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000066406471 368647370 /nfs/dbraw/zinc/64/73/70/368647370.db2.gz RQJGUXQDFNVFHC-ZDUSSCGKSA-N 0 1 234.343 2.158 20 0 BEADMN CSCCNCc1ccn(-c2ccccc2)n1 ZINC000069442548 370931769 /nfs/dbraw/zinc/93/17/69/370931769.db2.gz KRJJJYSSOXZFAR-UHFFFAOYSA-N 0 1 247.367 2.325 20 0 BEADMN CCCNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000070738243 368762398 /nfs/dbraw/zinc/76/23/98/368762398.db2.gz YZMRWTPPROZMMU-GFCCVEGCSA-N 0 1 234.343 2.033 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1CC12CC2 ZINC000622478805 370946838 /nfs/dbraw/zinc/94/68/38/370946838.db2.gz UXUZESWCMAGRDA-ZCFIWIBFSA-N 0 1 241.241 2.394 20 0 BEADMN Cc1cc(NC(=O)c2cccc3c[nH]nc32)no1 ZINC000073988044 368824973 /nfs/dbraw/zinc/82/49/73/368824973.db2.gz ILTWQCVPKSKUEC-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000086754554 368883590 /nfs/dbraw/zinc/88/35/90/368883590.db2.gz RLEWCASFWRXISS-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN Cc1cc(C[N@@H+](C)CCCC(=O)[O-])ccc1F ZINC000086802114 368885067 /nfs/dbraw/zinc/88/50/67/368885067.db2.gz FBJOWZPFUPZEDG-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086790000 368885258 /nfs/dbraw/zinc/88/52/58/368885258.db2.gz RAUHHOUSJUHMBS-RYUDHWBXSA-N 0 1 233.311 2.463 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCCn2nccc21 ZINC000631809866 368904539 /nfs/dbraw/zinc/90/45/39/368904539.db2.gz OLYHNWDMLBDECI-SKDRFNHKSA-N 0 1 245.330 2.100 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1scnc1C ZINC000084149569 368848549 /nfs/dbraw/zinc/84/85/49/368848549.db2.gz BUFWBDKJSFMJKK-QMMMGPOBSA-N 0 1 242.344 2.137 20 0 BEADMN C[C@@](N)(C(=O)N[C@H]1CC=CCC1)c1ccccc1 ZINC000088748403 368926227 /nfs/dbraw/zinc/92/62/27/368926227.db2.gz NFYCNGHXFIRTKO-ZFWWWQNUSA-N 0 1 244.338 2.085 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCCc3scnc32)CO1 ZINC000624006472 368946990 /nfs/dbraw/zinc/94/69/90/368946990.db2.gz YAXWLULKAMIJRG-UTLUCORTSA-N 0 1 238.356 2.288 20 0 BEADMN COCCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091782364 369020425 /nfs/dbraw/zinc/02/04/25/369020425.db2.gz BTJBEPNMNVHOFN-VIFPVBQESA-N 0 1 241.287 2.007 20 0 BEADMN COCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1 ZINC000105669034 369062207 /nfs/dbraw/zinc/06/22/07/369062207.db2.gz NBHIHSUKCWNWQU-UHFFFAOYSA-N 0 1 232.283 2.043 20 0 BEADMN CC(C)CCCCC(=O)N(C)CC1CN(C)C1 ZINC000618189807 369082404 /nfs/dbraw/zinc/08/24/04/369082404.db2.gz WXDFCEHTFDFVSH-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C[C@H](CNC(=O)[C@@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000457511922 203070360 /nfs/dbraw/zinc/07/03/60/203070360.db2.gz GXTJBJYCGVSLJJ-MNOVXSKESA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(C)CCCC1 ZINC000567403722 326184428 /nfs/dbraw/zinc/18/44/28/326184428.db2.gz RFCYEEPJLSTSFD-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC000457665748 203086588 /nfs/dbraw/zinc/08/65/88/203086588.db2.gz KMUMVSAVKPOXTB-GXSJLCMTSA-N 0 1 249.358 2.202 20 0 BEADMN CC(C)CCCCC(=O)NCCN1CCC1 ZINC000457674190 203088700 /nfs/dbraw/zinc/08/87/00/203088700.db2.gz QBQOGRJHCRPIGG-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CCCCC(=O)NCc1ccc2cncn2c1 ZINC000457981482 203121853 /nfs/dbraw/zinc/12/18/53/203121853.db2.gz WTPJXCOUBPXAMQ-UHFFFAOYSA-N 0 1 231.299 2.141 20 0 BEADMN CCN(CC(=O)N[C@@H]1C[C@H]1CC(C)C)C1CC1 ZINC000457983326 203122474 /nfs/dbraw/zinc/12/24/74/203122474.db2.gz ALMXYFUACOJHAL-DGCLKSJQSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000457974755 203122592 /nfs/dbraw/zinc/12/25/92/203122592.db2.gz KZODUESLQZHNSB-LLVKDONJSA-N 0 1 245.326 2.387 20 0 BEADMN COC(=O)c1cccc(CN2CCC[C@H](C)C2)n1 ZINC000618524678 369167805 /nfs/dbraw/zinc/16/78/05/369167805.db2.gz IETRBMSWFADMDG-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN CCN(CC(=O)N[C@@]1(C)CC=CCC1)C1CC1 ZINC000458331234 203162189 /nfs/dbraw/zinc/16/21/89/203162189.db2.gz GPVKDYCQMSOGIW-AWEZNQCLSA-N 0 1 236.359 2.086 20 0 BEADMN COCc1cc(CN2C[C@H](C)C[C@H](C)C2)no1 ZINC000459295803 203249756 /nfs/dbraw/zinc/24/97/56/203249756.db2.gz LUDISRVOWZTTOQ-PHIMTYICSA-N 0 1 238.331 2.299 20 0 BEADMN CCn1nncc1CN(C)C[C@H]1CC=CCC1 ZINC000459399143 203273297 /nfs/dbraw/zinc/27/32/97/203273297.db2.gz BEPZIIRGZJVCNZ-LBPRGKRZSA-N 0 1 234.347 2.086 20 0 BEADMN CC(C)OC1CC(N2CCO[C@H](C(C)C)C2)C1 ZINC000459402029 203274149 /nfs/dbraw/zinc/27/41/49/203274149.db2.gz OOLURUUIZMVGAT-RUXDESIVSA-N 0 1 241.375 2.299 20 0 BEADMN COCc1cc(CN2CCC[C@@H](C)[C@@H]2C)no1 ZINC000459329448 203259299 /nfs/dbraw/zinc/25/92/99/203259299.db2.gz ROOOFDQQDORAEA-MNOVXSKESA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN2CC[C@H](C(C)C)C2)no1 ZINC000459353846 203263514 /nfs/dbraw/zinc/26/35/14/203263514.db2.gz LVDHOVSBMZHCFB-NSHDSACASA-N 0 1 238.331 2.299 20 0 BEADMN COCc1cc(CN2[C@H](C)CC[C@@H]2C)no1 ZINC000459365634 203265313 /nfs/dbraw/zinc/26/53/13/203265313.db2.gz XHJYJZCBUWFOIQ-AOOOYVTPSA-N 0 1 224.304 2.194 20 0 BEADMN CSCCN(C)Cc1cnc(C2CC2)nc1 ZINC000459355957 203269185 /nfs/dbraw/zinc/26/91/85/203269185.db2.gz ZCDDBHCNXDEYQT-UHFFFAOYSA-N 0 1 237.372 2.149 20 0 BEADMN CCn1nncc1CN[C@H](C)c1ccccc1C ZINC000459471893 203286207 /nfs/dbraw/zinc/28/62/07/203286207.db2.gz NVWCXMHTOJHLQL-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1cc(CNCC[C@H]2CCO[C@H](C)C2)no1 ZINC000459488399 203289065 /nfs/dbraw/zinc/28/90/65/203289065.db2.gz UQSQXQHEKLHSCB-PWSUYJOCSA-N 0 1 238.331 2.278 20 0 BEADMN COCc1cc(CN(C)[C@@H]2CC[C@H](C)C2)no1 ZINC000459508940 203292605 /nfs/dbraw/zinc/29/26/05/203292605.db2.gz NGIIDJBDAMZLHK-CMPLNLGQSA-N 0 1 238.331 2.441 20 0 BEADMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459410983 203276792 /nfs/dbraw/zinc/27/67/92/203276792.db2.gz DLPADMMOJJNMTR-SKDRFNHKSA-N 0 1 247.342 2.338 20 0 BEADMN CCCC1(CNCc2cc(COC)on2)CC1 ZINC000459436111 203279796 /nfs/dbraw/zinc/27/97/96/203279796.db2.gz FBTAABUSXDUQJY-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN Cc1cc(F)c(CN[C@@H](C)CO)c(Cl)c1 ZINC000459430921 203280733 /nfs/dbraw/zinc/28/07/33/203280733.db2.gz RWSMKTNSVWHJML-QMMMGPOBSA-N 0 1 231.698 2.258 20 0 BEADMN CCCC(O)(CCC)CNCc1cc(C)on1 ZINC000459438963 203281169 /nfs/dbraw/zinc/28/11/69/203281169.db2.gz DWKMBUMFANLAFS-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000619428460 369345751 /nfs/dbraw/zinc/34/57/51/369345751.db2.gz QNLXLGRSSVMUDH-QWRGUYRKSA-N 0 1 245.338 2.256 20 0 BEADMN COCCCOC1CN(C[C@@H](C)CC(C)C)C1 ZINC000459598323 203312304 /nfs/dbraw/zinc/31/23/04/203312304.db2.gz WPFASNNGMLSLKJ-ZDUSSCGKSA-N 0 1 243.391 2.406 20 0 BEADMN CC(C)Oc1ccccc1CN1CC(CCO)C1 ZINC000459599396 203312486 /nfs/dbraw/zinc/31/24/86/203312486.db2.gz YLHQUXQSBYUPCU-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN COCC1(CCNCc2cc(C)on2)CCC1 ZINC000459597819 203312598 /nfs/dbraw/zinc/31/25/98/203312598.db2.gz VXCRKCIFLJIOKP-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN COCc1cc(CN(C)[C@H](C)C2CCC2)no1 ZINC000459552512 203297809 /nfs/dbraw/zinc/29/78/09/203297809.db2.gz UNYBMHNDLDVDBQ-SNVBAGLBSA-N 0 1 238.331 2.441 20 0 BEADMN C[C@@H](CC1CCOCC1)NCC(F)F ZINC000459551991 203298322 /nfs/dbraw/zinc/29/83/22/203298322.db2.gz YAZLHAXVEUMCHD-QMMMGPOBSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1cc(CNC2(C3(C)CC3)CC2)no1 ZINC000459561544 203300777 /nfs/dbraw/zinc/30/07/77/203300777.db2.gz BNCXMNPYCIYNRR-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN CCN(Cc1cnc(C2CC2)nc1)C[C@@H](C)OC ZINC000459558489 203301498 /nfs/dbraw/zinc/30/14/98/203301498.db2.gz NTORHAUKJSBNHV-LLVKDONJSA-N 0 1 249.358 2.211 20 0 BEADMN COCC1(C)CN(Cc2ccc(C)o2)C1 ZINC000459618625 203319280 /nfs/dbraw/zinc/31/92/80/203319280.db2.gz CQYWAZJBLREQLF-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN CN(Cc1noc2c1CCCC2)CC1CC1 ZINC000108854794 369413424 /nfs/dbraw/zinc/41/34/24/369413424.db2.gz SJDFCAZFXBRTPA-UHFFFAOYSA-N 0 1 220.316 2.395 20 0 BEADMN OCCCN(Cc1nc2ccccc2o1)C1CC1 ZINC000404213865 369422327 /nfs/dbraw/zinc/42/23/27/369422327.db2.gz ANNLTGPBCAPSFA-UHFFFAOYSA-N 0 1 246.310 2.175 20 0 BEADMN COC[C@H](CC(C)C)NCc1cnc(C)o1 ZINC000459683176 203334790 /nfs/dbraw/zinc/33/47/90/203334790.db2.gz ZTNPUYYMKHYEAS-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN CC(C)(C)c1c[nH]c(SCc2c[nH]nn2)n1 ZINC000631029210 370953615 /nfs/dbraw/zinc/95/36/15/370953615.db2.gz CRJVMUCJGUXXOE-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1ncc(C)s1 ZINC000459746836 203354097 /nfs/dbraw/zinc/35/40/97/203354097.db2.gz VMHXRELOIDXSGU-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](NC/C=C/c1ccncc1)c1ccn(C)n1 ZINC000459750245 203354561 /nfs/dbraw/zinc/35/45/61/203354561.db2.gz LHICRUHYWABASO-PCAWENJQSA-N 0 1 242.326 2.179 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ccn(C)n1)C(F)(F)F ZINC000459787583 203370875 /nfs/dbraw/zinc/37/08/75/203370875.db2.gz LLJWZHRGUXCBMK-YUMQZZPRSA-N 0 1 235.253 2.269 20 0 BEADMN O=C(NCC1=CCCC1)c1ccc2cncn2c1 ZINC000620007755 369663927 /nfs/dbraw/zinc/66/39/27/369663927.db2.gz HFRPRRASNXPDLG-UHFFFAOYSA-N 0 1 241.294 2.174 20 0 BEADMN CCC(CC)CCCN(C)C(=O)CN(C)C ZINC000620200383 369763778 /nfs/dbraw/zinc/76/37/78/369763778.db2.gz WUPGQZAOKSOWRI-UHFFFAOYSA-N 0 1 228.380 2.223 20 0 BEADMN CC1(C)CC(NC(=O)c2cccc3nc[nH]c32)C1 ZINC000620740687 369987482 /nfs/dbraw/zinc/98/74/82/369987482.db2.gz GTFMUDQXJABJRH-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN CN(Cc1cncc(Cl)c1)C[C@H]1CCCO1 ZINC000621248347 370183126 /nfs/dbraw/zinc/18/31/26/370183126.db2.gz FGDABCGUASPRDW-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN CCN(CCOC)Cc1cncc(Cl)c1 ZINC000621250465 370183788 /nfs/dbraw/zinc/18/37/88/370183788.db2.gz BQXMCTXRGUKLJQ-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CC(C)CN(C(=O)[C@@H](C)N1CC(C)C1)C(C)C ZINC000568192870 326324213 /nfs/dbraw/zinc/32/42/13/326324213.db2.gz WWMROZYEEZLBCK-CYBMUJFWSA-N 0 1 240.391 2.220 20 0 BEADMN CN(Cc1cncc(Cl)c1)[C@@H]1CCCOC1 ZINC000621295072 370220463 /nfs/dbraw/zinc/22/04/63/370220463.db2.gz YFBJYDHOPLYXOE-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@@H](O)CN(Cc1cncc(Cl)c1)C1CC1 ZINC000621313424 370238624 /nfs/dbraw/zinc/23/86/24/370238624.db2.gz HKXVDVKFDXEYMN-SECBINFHSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1cc(CN2CCSC[C@@H]2C)ccn1 ZINC000621258470 370192121 /nfs/dbraw/zinc/19/21/21/370192121.db2.gz MKSRPHUAJCLXAI-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CCOc1cncc(CNCc2cccnc2)c1 ZINC000621326028 370256835 /nfs/dbraw/zinc/25/68/35/370256835.db2.gz VJQLUPULGDIFJK-UHFFFAOYSA-N 0 1 243.310 2.165 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccc(C)o2)[nH]n1 ZINC000309803794 370263124 /nfs/dbraw/zinc/26/31/24/370263124.db2.gz RROJWSHRRDPVFI-SNVBAGLBSA-N 0 1 219.288 2.470 20 0 BEADMN C[C@@H]1CCC[C@H]1NCc1nnc(C2CC2)o1 ZINC000309819205 370264733 /nfs/dbraw/zinc/26/47/33/370264733.db2.gz VYJZWIWANLMKEF-PSASIEDQSA-N 0 1 221.304 2.225 20 0 BEADMN CCCc1nsc(NCC[C@@H]2CC2(F)F)n1 ZINC000621346068 370280949 /nfs/dbraw/zinc/28/09/49/370280949.db2.gz BKTZDPDFSGFUAS-SSDOTTSWSA-N 0 1 247.314 2.370 20 0 BEADMN CCCC[C@H](C(=O)N1CCNC[C@H]1C)C(C)C ZINC000621621004 370405665 /nfs/dbraw/zinc/40/56/65/370405665.db2.gz OXMKUKADYRCAHC-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nccnc1CN1CCC(OC(C)C)CC1 ZINC000621713379 370461515 /nfs/dbraw/zinc/46/15/15/370461515.db2.gz IHLWHWCIZAUJAN-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN CC[C@H]1CN(Cc2nccnc2C)CCS1 ZINC000621717041 370466289 /nfs/dbraw/zinc/46/62/89/370466289.db2.gz VDLIKKDOOIUUIF-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)ccn1 ZINC000621773790 370517547 /nfs/dbraw/zinc/51/75/47/370517547.db2.gz BVXCCYAWHGDWCU-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CCNC(=O)CN(C)[C@H](CC)c1ccccc1 ZINC000621730751 370483506 /nfs/dbraw/zinc/48/35/06/370483506.db2.gz GKQJOORIICICNF-CYBMUJFWSA-N 0 1 234.343 2.206 20 0 BEADMN Cc1nccnc1CN1CCSC[C@@H]1C1CC1 ZINC000621730549 370484274 /nfs/dbraw/zinc/48/42/74/370484274.db2.gz ORYFAIZRZJKVKK-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN CCOc1cncc(CN2CC(CC)C2)c1 ZINC000621730909 370484288 /nfs/dbraw/zinc/48/42/88/370484288.db2.gz YLMAZHSXBJSIHG-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1nccnc1C ZINC000621731751 370485526 /nfs/dbraw/zinc/48/55/26/370485526.db2.gz ZCNGBXZJUIIIIK-CYBMUJFWSA-N 0 1 249.358 2.176 20 0 BEADMN CCCC[C@H](C(=O)NCCN1CCC1)C(C)C ZINC000621928465 370604997 /nfs/dbraw/zinc/60/49/97/370604997.db2.gz BSNPKKZVPBUCQO-ZDUSSCGKSA-N 0 1 240.391 2.271 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2csc(C)n2)[nH]1 ZINC000621930096 370605763 /nfs/dbraw/zinc/60/57/63/370605763.db2.gz HTTABFDUPNGFAU-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CC(C)(C(=O)N[C@H]1CC12CCCC2)c1cnc[nH]1 ZINC000621973533 370630237 /nfs/dbraw/zinc/63/02/37/370630237.db2.gz OZZKCOMBOBWYRX-JTQLQIEISA-N 0 1 247.342 2.136 20 0 BEADMN CCC(C)(C)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621973383 370630290 /nfs/dbraw/zinc/63/02/90/370630290.db2.gz LKBOISKQAOLWOQ-UHFFFAOYSA-N 0 1 237.347 2.240 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000568757666 326375235 /nfs/dbraw/zinc/37/52/35/326375235.db2.gz FRRDRXGROKCWPX-QMAVJUDZSA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)[C@@H](CO)N[C@@H]1CCCc2scnc21 ZINC000623903040 371146566 /nfs/dbraw/zinc/14/65/66/371146566.db2.gz XVTWDKMITCWVCQ-NXEZZACHSA-N 0 1 240.372 2.127 20 0 BEADMN O[C@@H]1CCC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623998655 371228357 /nfs/dbraw/zinc/22/83/57/371228357.db2.gz YQGDMBPONVVXMM-OPRDCNLKSA-N 0 1 238.356 2.024 20 0 BEADMN FCCOCCN[C@@H]1CCCc2scnc21 ZINC000624016750 371252274 /nfs/dbraw/zinc/25/22/74/371252274.db2.gz DYHGHPUVGRQKCW-SECBINFHSA-N 0 1 244.335 2.096 20 0 BEADMN CCC(F)(F)CN[C@@H](C)CCCOC ZINC000624147930 371341790 /nfs/dbraw/zinc/34/17/90/371341790.db2.gz PGQWAJIKNWPPCD-VIFPVBQESA-N 0 1 209.280 2.436 20 0 BEADMN C/C=C/CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000624199310 371390085 /nfs/dbraw/zinc/39/00/85/371390085.db2.gz LSOSRKHUWGQHQU-FSIBCCDJSA-N 0 1 205.305 2.056 20 0 BEADMN c1n[nH]cc1CN[C@H]1CCCOc2ccccc21 ZINC000624219660 371408363 /nfs/dbraw/zinc/40/83/63/371408363.db2.gz CQHNTLMIORAJAP-ZDUSSCGKSA-N 0 1 243.310 2.413 20 0 BEADMN CCC(CC)[C@H](O)CNCc1nccs1 ZINC000225815865 371579333 /nfs/dbraw/zinc/57/93/33/371579333.db2.gz KUUVVHFKKPWSBE-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@H]1CCC[C@]1(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627373472 371592662 /nfs/dbraw/zinc/59/26/62/371592662.db2.gz SIGWDTXVEHAUNH-HZMBPMFUSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1ccoc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000304359594 371783689 /nfs/dbraw/zinc/78/36/89/371783689.db2.gz HVIAGZIGJPHYFA-QWRGUYRKSA-N 0 1 237.299 2.131 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)C12CC(C1)C2 ZINC000627710891 371869828 /nfs/dbraw/zinc/86/98/28/371869828.db2.gz UGVXZDSVVNQRHR-UHFFFAOYSA-N 0 1 239.221 2.409 20 0 BEADMN CCNC(=O)CN(C)[C@@H](CC)c1ccccc1 ZINC000058398224 372020196 /nfs/dbraw/zinc/02/01/96/372020196.db2.gz GKQJOORIICICNF-ZDUSSCGKSA-N 0 1 234.343 2.206 20 0 BEADMN CCCN(C)Cc1cn2ccccc2n1 ZINC000058399467 372020893 /nfs/dbraw/zinc/02/08/93/372020893.db2.gz AUSHBRMRWVSTCD-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN Cn1cccc1CN[C@](C)(CO)c1ccccc1 ZINC000217809851 372014032 /nfs/dbraw/zinc/01/40/32/372014032.db2.gz YTZDLYOPOSPTOC-OAHLLOKOSA-N 0 1 244.338 2.022 20 0 BEADMN Cn1cccc1CN[C@@](C)(CO)c1ccccc1 ZINC000217809774 372014421 /nfs/dbraw/zinc/01/44/21/372014421.db2.gz YTZDLYOPOSPTOC-HNNXBMFYSA-N 0 1 244.338 2.022 20 0 BEADMN CC(C)(F)CNCc1cccc2c1OCCO2 ZINC000631188729 372222541 /nfs/dbraw/zinc/22/25/41/372222541.db2.gz FWAPBFJFJDRDMB-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN Cn1nc2c(c1CNCC(C)(C)F)CCCC2 ZINC000631189277 372224216 /nfs/dbraw/zinc/22/42/16/372224216.db2.gz RMQBJTNHRGBSAK-UHFFFAOYSA-N 0 1 239.338 2.137 20 0 BEADMN CCC[C@@H](CCO)NCc1csc(CC)n1 ZINC000631197332 372228235 /nfs/dbraw/zinc/22/82/35/372228235.db2.gz UYQBELNBRJFIJX-JTQLQIEISA-N 0 1 242.388 2.346 20 0 BEADMN CC(C)n1cc(CN[C@@]23C[C@@H]2CCCC3)nn1 ZINC000631226174 372247771 /nfs/dbraw/zinc/24/77/71/372247771.db2.gz LTZPYCRTXDSELM-AAEUAGOBSA-N 0 1 234.347 2.281 20 0 BEADMN C[C@@H](NCc1ccsc1)[C@@H](O)C(F)(F)F ZINC000631231648 372251223 /nfs/dbraw/zinc/25/12/23/372251223.db2.gz JCQSTHJUXOVKQJ-HTRCEHHLSA-N 0 1 239.262 2.149 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000631559057 372422039 /nfs/dbraw/zinc/42/20/39/372422039.db2.gz DDZAYKHWBJYKBA-ZCFIWIBFSA-N 0 1 247.220 2.053 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3ncccc32)[nH]n1 ZINC000631582821 372441532 /nfs/dbraw/zinc/44/15/32/372441532.db2.gz UQVOTLMCRVFJAK-CQSZACIVSA-N 0 1 242.326 2.280 20 0 BEADMN c1cc(CN[C@@H](C2CCC2)[C@H]2CCCO2)no1 ZINC000631586031 372443086 /nfs/dbraw/zinc/44/30/86/372443086.db2.gz WVWDZVXKPFXFBJ-OLZOCXBDSA-N 0 1 236.315 2.112 20 0 BEADMN c1cc(CN[C@H](C2CCC2)[C@@H]2CCCO2)no1 ZINC000631586032 372443208 /nfs/dbraw/zinc/44/32/08/372443208.db2.gz WVWDZVXKPFXFBJ-QWHCGFSZSA-N 0 1 236.315 2.112 20 0 BEADMN CC(C)(F)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000631664861 372489568 /nfs/dbraw/zinc/48/95/68/372489568.db2.gz UZWXITPFAZCMLF-NSHDSACASA-N 0 1 248.305 2.232 20 0 BEADMN CC(C)(F)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000631664859 372489611 /nfs/dbraw/zinc/48/96/11/372489611.db2.gz UZWXITPFAZCMLF-LLVKDONJSA-N 0 1 248.305 2.232 20 0 BEADMN Cc1[nH]ncc1[C@H](C)Nc1cnn2c1CCCC2 ZINC000631712278 372518806 /nfs/dbraw/zinc/51/88/06/372518806.db2.gz KCWGQUZCAZEFJI-VIFPVBQESA-N 0 1 245.330 2.424 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccnn1C ZINC000631754050 372555862 /nfs/dbraw/zinc/55/58/62/372555862.db2.gz ZEAMACZBHLMSOY-XLPZGREQSA-N 0 1 233.237 2.022 20 0 BEADMN O=C(C[C@@H]1C=CCCC1)NCCN1CC=CCC1 ZINC000279769576 182014962 /nfs/dbraw/zinc/01/49/62/182014962.db2.gz BMCRUONZLSPEMB-CQSZACIVSA-N 0 1 248.370 2.111 20 0 BEADMN O=C(NC1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268803328 182109398 /nfs/dbraw/zinc/10/93/98/182109398.db2.gz BUCMWBMMWXNXDM-NSHDSACASA-N 0 1 248.330 2.029 20 0 BEADMN O=C(NCC1CC1)c1n[nH]c2ccc(Cl)cc21 ZINC000278756989 182142084 /nfs/dbraw/zinc/14/20/84/182142084.db2.gz WBRUNXJPKKBUQU-UHFFFAOYSA-N 0 1 249.701 2.356 20 0 BEADMN O=C(N[C@H]1CCCC12CC2)[C@H]1CCCN1C1CC1 ZINC000633778983 373752272 /nfs/dbraw/zinc/75/22/72/373752272.db2.gz OKPADYBVIKOYIC-OLZOCXBDSA-N 0 1 248.370 2.062 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@@H]1c1ccco1 ZINC000633787181 373759558 /nfs/dbraw/zinc/75/95/58/373759558.db2.gz QQTTYTBWJROKFA-LLVKDONJSA-N 0 1 245.282 2.226 20 0 BEADMN CCc1ncc(CNc2ncncc2Cl)[nH]1 ZINC001643236849 1172451438 /nfs/dbraw/zinc/45/14/38/1172451438.db2.gz BJDVBDPDWRCEMI-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN O=C(NCCc1cccc(F)c1)C(F)(F)F ZINC000070266847 182202882 /nfs/dbraw/zinc/20/28/82/182202882.db2.gz BALKMMYOCJAUEO-UHFFFAOYSA-N 0 1 235.180 2.047 20 0 BEADMN CC[C@]1(CO)CCCN1Cc1nc(C)c(C)o1 ZINC000189676780 205874222 /nfs/dbraw/zinc/87/42/22/205874222.db2.gz PGCQEZCAACQCBD-CYBMUJFWSA-N 0 1 238.331 2.028 20 0 BEADMN CCN(CC(=O)Nc1ccsc1C)C1CC1 ZINC000634215124 374033786 /nfs/dbraw/zinc/03/37/86/374033786.db2.gz HEJAIUWBJUBCFA-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN Cc1ccc2nc(CNC(=O)[C@H]3C[C@H]3C)[nH]c2c1 ZINC000174890217 374272243 /nfs/dbraw/zinc/27/22/43/374272243.db2.gz MNHANGJZBZDUOA-ZJUUUORDSA-N 0 1 243.310 2.144 20 0 BEADMN NC1(c2noc([C@@H]3CCCC34CC4)n2)CCC1 ZINC000634555969 374313057 /nfs/dbraw/zinc/31/30/57/374313057.db2.gz AMROEODZECLJRA-VIFPVBQESA-N 0 1 233.315 2.455 20 0 BEADMN CCO[C@H](c1nc(C2(N)CCC2)no1)C(C)C ZINC000634556125 374313497 /nfs/dbraw/zinc/31/34/97/374313497.db2.gz HOKFKWPNCITXEG-VIFPVBQESA-N 0 1 239.319 2.141 20 0 BEADMN c1cc2c(c(CN3C[C@@H]4C[C@H]3CS4)c1)OCO2 ZINC000459777773 206016300 /nfs/dbraw/zinc/01/63/00/206016300.db2.gz YIKIVXRNVVLOGW-QWRGUYRKSA-N 0 1 249.335 2.105 20 0 BEADMN COc1ccnc(CN[C@@H](C)CC(C)C)n1 ZINC000424193702 206036127 /nfs/dbraw/zinc/03/61/27/206036127.db2.gz VAFMHKIHYGDEJS-JTQLQIEISA-N 0 1 223.320 2.009 20 0 BEADMN COCC(C)(C)C[N@@H+](C)CCc1nccs1 ZINC000426423694 206049547 /nfs/dbraw/zinc/04/95/47/206049547.db2.gz ZUTQMUNLKNTQJY-UHFFFAOYSA-N 0 1 242.388 2.290 20 0 BEADMN CCn1nccc1CN(C)[C@@H]1CC1(C)C ZINC000426568712 206050544 /nfs/dbraw/zinc/05/05/44/206050544.db2.gz SLUOWMXKROAOFV-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN CN(Cc1ccn(CC(F)(F)F)n1)CC1CC1 ZINC000450270301 206068625 /nfs/dbraw/zinc/06/86/25/206068625.db2.gz MANLNGWGQNTSMG-UHFFFAOYSA-N 0 1 247.264 2.287 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1cccc(F)c1 ZINC000428472149 206058473 /nfs/dbraw/zinc/05/84/73/206058473.db2.gz FVRJRTSTIDBSJV-UHFFFAOYSA-N 0 1 248.305 2.274 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)[nH]n1 ZINC000154700525 206066538 /nfs/dbraw/zinc/06/65/38/206066538.db2.gz JYAKBGZREMREHQ-OUJBWJOFSA-N 0 1 249.358 2.202 20 0 BEADMN CSCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440464367 206077328 /nfs/dbraw/zinc/07/73/28/206077328.db2.gz HOURADQOSZXFCH-UHFFFAOYSA-N 0 1 239.388 2.395 20 0 BEADMN CCc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)o1 ZINC000449425832 206097520 /nfs/dbraw/zinc/09/75/20/206097520.db2.gz SWELSVNOJKAOIE-GHMZBOCLSA-N 0 1 247.285 2.336 20 0 BEADMN FC1(F)CC[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000450448662 206102542 /nfs/dbraw/zinc/10/25/42/206102542.db2.gz CCGFJSGPUXPAFS-MXWKQRLJSA-N 0 1 231.286 2.285 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1=CCCCC1 ZINC000276168466 182335166 /nfs/dbraw/zinc/33/51/66/182335166.db2.gz GVENBQXYNGDUEQ-LBPRGKRZSA-N 0 1 245.326 2.404 20 0 BEADMN Cc1cc(CNC[C@H]2CCCC[N@H+]2C2CC2)no1 ZINC000459499018 206132061 /nfs/dbraw/zinc/13/20/61/206132061.db2.gz BVHLITFKJIXMJN-CQSZACIVSA-N 0 1 249.358 2.090 20 0 BEADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)C1CCC1 ZINC000078710672 182367547 /nfs/dbraw/zinc/36/75/47/182367547.db2.gz CGNSIEGEUNGKFB-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000172111460 182370106 /nfs/dbraw/zinc/37/01/06/182370106.db2.gz YVFBCDRCWPXZGX-SECBINFHSA-N 0 1 241.674 2.163 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248762209 182396833 /nfs/dbraw/zinc/39/68/33/182396833.db2.gz YVCRNSHOLDKDJF-MYJAWHEDSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248762209 182396836 /nfs/dbraw/zinc/39/68/36/182396836.db2.gz YVCRNSHOLDKDJF-MYJAWHEDSA-N 0 1 246.314 2.057 20 0 BEADMN CO[C@H]1CCC[C@H](Sc2nnc(C)[nH]2)C1 ZINC001643615171 1172480178 /nfs/dbraw/zinc/48/01/78/1172480178.db2.gz BIOTUWHJDWJOSP-IUCAKERBSA-N 0 1 227.333 2.163 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC2(CCCC2)CC1 ZINC000265724955 182698258 /nfs/dbraw/zinc/69/82/58/182698258.db2.gz NZANANKLRGQVPM-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1CF ZINC000294209651 182707234 /nfs/dbraw/zinc/70/72/34/182707234.db2.gz VNFCFWUZOWXQCM-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359563013 170266308 /nfs/dbraw/zinc/26/63/08/170266308.db2.gz SBJUEYRJJWMQLW-MBNYWOFBSA-N 0 1 239.359 2.450 20 0 BEADMN OC1(C(F)F)CCN(Cc2ccsc2)CC1 ZINC000336515241 183015811 /nfs/dbraw/zinc/01/58/11/183015811.db2.gz JQGUAHHTZPWOEY-UHFFFAOYSA-N 0 1 247.310 2.340 20 0 BEADMN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cocn2)CN1 ZINC000330334740 183026181 /nfs/dbraw/zinc/02/61/81/183026181.db2.gz QYAQUOSLZDTNNM-CMPLNLGQSA-N 0 1 249.314 2.006 20 0 BEADMN O=C1C[C@H]([C@H]2CCCCN2Cc2cocn2)CN1 ZINC000330334740 183026183 /nfs/dbraw/zinc/02/61/83/183026183.db2.gz QYAQUOSLZDTNNM-CMPLNLGQSA-N 0 1 249.314 2.006 20 0 BEADMN OCCCN1CCc2c(Cl)cccc2C1 ZINC000133863487 183057030 /nfs/dbraw/zinc/05/70/30/183057030.db2.gz JODQTXPMTZXQHW-UHFFFAOYSA-N 0 1 225.719 2.081 20 0 BEADMN OCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000372717895 183075305 /nfs/dbraw/zinc/07/53/05/183075305.db2.gz PLDIRQHZLAKBQS-GFCCVEGCSA-N 0 1 227.254 2.094 20 0 BEADMN CCCC[C@H](COC)NCc1ncc(C)n1C ZINC000341047952 169004718 /nfs/dbraw/zinc/00/47/18/169004718.db2.gz RKAGCDAGJAELLL-GFCCVEGCSA-N 0 1 239.363 2.023 20 0 BEADMN OC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000000210196 183117747 /nfs/dbraw/zinc/11/77/47/183117747.db2.gz LTSMLZOXRSMJSS-LLVKDONJSA-N 0 1 241.281 2.169 20 0 BEADMN OC[C@@H](NCCCF)c1cccc(Cl)c1F ZINC000309580566 183108501 /nfs/dbraw/zinc/10/85/01/183108501.db2.gz QFLRJAOJWAGIMU-SNVBAGLBSA-N 0 1 249.688 2.462 20 0 BEADMN CCCC[C@H](CCC)CNC(=O)c1ncn[nH]1 ZINC000358585159 169000950 /nfs/dbraw/zinc/00/09/50/169000950.db2.gz IQTHIJDVEUXYPG-JTQLQIEISA-N 0 1 238.335 2.141 20 0 BEADMN CCCC[C@H](CCC)CNC(=O)c1nc[nH]n1 ZINC000358585159 169000952 /nfs/dbraw/zinc/00/09/52/169000952.db2.gz IQTHIJDVEUXYPG-JTQLQIEISA-N 0 1 238.335 2.141 20 0 BEADMN OC[C@@H]1CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301366457 183124373 /nfs/dbraw/zinc/12/43/73/183124373.db2.gz QYORFYQEZLDURD-SNVBAGLBSA-N 0 1 246.285 2.193 20 0 BEADMN OC[C@@H]1CN(Cc2ccsc2)CCC1(F)F ZINC000291333746 183127985 /nfs/dbraw/zinc/12/79/85/183127985.db2.gz UWPUIPNHUAMCLF-JTQLQIEISA-N 0 1 247.310 2.198 20 0 BEADMN CCCCN1C(=O)N=NC1SC1CCC1 ZINC000339612063 169034947 /nfs/dbraw/zinc/03/49/47/169034947.db2.gz CMPXVLVZPDTGKH-UHFFFAOYSA-N 0 1 227.333 2.428 20 0 BEADMN OC[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000050114006 183150641 /nfs/dbraw/zinc/15/06/41/183150641.db2.gz OWCLYKGFAPCMCO-MRVPVSSYSA-N 0 1 231.748 2.358 20 0 BEADMN OC[C@H]1CCCN1Cc1ccc(F)c(Cl)c1 ZINC000092470796 183150652 /nfs/dbraw/zinc/15/06/52/183150652.db2.gz DFNVBIKFNFGCND-SNVBAGLBSA-N 0 1 243.709 2.436 20 0 BEADMN OC[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000194368123 183153846 /nfs/dbraw/zinc/15/38/46/183153846.db2.gz FTPFMLUDLPGESH-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN OC[C@H]1CCN(Cc2ccsc2Cl)C1 ZINC000306330385 183154071 /nfs/dbraw/zinc/15/40/71/183154071.db2.gz BQKJUZQWWHXZOO-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN CCCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000177345940 169045419 /nfs/dbraw/zinc/04/54/19/169045419.db2.gz LMIDDUMSGFOBIE-LLVKDONJSA-N 0 1 247.342 2.231 20 0 BEADMN OC[C@]1(F)CCCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000291105847 183158355 /nfs/dbraw/zinc/15/83/55/183158355.db2.gz JUYOUTMPZNHKOT-ZNMIVQPWSA-N 0 1 249.329 2.339 20 0 BEADMN OCc1ccc(CN2CCC[C@H]2c2ccc[nH]2)o1 ZINC000269401618 183162637 /nfs/dbraw/zinc/16/26/37/183162637.db2.gz DKAQKDCCDLVKTB-AWEZNQCLSA-N 0 1 246.310 2.437 20 0 BEADMN CCCN(C)Cc1nc(N)c2ccccc2n1 ZINC000123581968 169080580 /nfs/dbraw/zinc/08/05/80/169080580.db2.gz VFIOFWVYSPYVNS-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CCCN(C)Cc1cn2c(cccc2C)n1 ZINC000123535500 169081323 /nfs/dbraw/zinc/08/13/23/169081323.db2.gz LVUFHZLEMXXSGF-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccc(C)c(C)c1 ZINC000092381817 169094890 /nfs/dbraw/zinc/09/48/90/169094890.db2.gz UZIGNOUNHMOLMP-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccsc1C ZINC000295282817 169094900 /nfs/dbraw/zinc/09/49/00/169094900.db2.gz INZVSJWIBREZGT-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN CCCN(CC)C(=O)c1cc(C2CC2)[nH]n1 ZINC000298298176 169117909 /nfs/dbraw/zinc/11/79/09/169117909.db2.gz ISQDRWQPSDHEJI-UHFFFAOYSA-N 0 1 221.304 2.159 20 0 BEADMN CCCN(CC)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881443 169118115 /nfs/dbraw/zinc/11/81/15/169118115.db2.gz RTNDIIPWTASHBR-CQSZACIVSA-N 0 1 234.343 2.119 20 0 BEADMN O[C@H]1C[C@@H](N[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333242953 183248201 /nfs/dbraw/zinc/24/82/01/183248201.db2.gz QKYYYGBXZMYIOA-FRRDWIJNSA-N 0 1 249.358 2.144 20 0 BEADMN O[C@H]1CCCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000336477886 183235742 /nfs/dbraw/zinc/23/57/42/183235742.db2.gz PTDKZJJOMKGAPM-ZDUSSCGKSA-N 0 1 248.301 2.264 20 0 BEADMN CCCN(CC)[C@@H](CC)C(=O)OCC ZINC000082760984 169131300 /nfs/dbraw/zinc/13/13/00/169131300.db2.gz LZRPHDAJIVLGKZ-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCN(CC)[C@H](CC)C(=O)OCC ZINC000082760985 169132459 /nfs/dbraw/zinc/13/24/59/169132459.db2.gz LZRPHDAJIVLGKZ-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN [O-]c1cccc(C[NH2+]C2CCOCC2)c1Cl ZINC000293715653 183289112 /nfs/dbraw/zinc/28/91/12/183289112.db2.gz YDXJBJMZMKIJIN-UHFFFAOYSA-N 0 1 241.718 2.314 20 0 BEADMN Oc1cccc2c1CCC[C@@H]2NCCF ZINC000276841367 183294126 /nfs/dbraw/zinc/29/41/26/183294126.db2.gz RYWGJAZCSCTOFD-NSHDSACASA-N 0 1 209.264 2.329 20 0 BEADMN CCCN(CCO)Cc1cnc(Cl)s1 ZINC000086776597 169166548 /nfs/dbraw/zinc/16/65/48/169166548.db2.gz CBXWJGSBOGGQGO-UHFFFAOYSA-N 0 1 234.752 2.001 20 0 BEADMN CCCN(Cc1ncc(C)s1)CC(C)(C)O ZINC000271475838 169180671 /nfs/dbraw/zinc/18/06/71/169180671.db2.gz HOYUGPHLWZWWSE-UHFFFAOYSA-N 0 1 242.388 2.434 20 0 BEADMN O=c1nc(C[NH+]2CCCCC2)[n-]c2ccsc21 ZINC000012685101 183308378 /nfs/dbraw/zinc/30/83/78/183308378.db2.gz HKDDBDRPVMDAJB-UHFFFAOYSA-N 0 1 249.339 2.383 20 0 BEADMN c1cc(CN2CCC(OCC3CC3)CC2)on1 ZINC000374091572 183340757 /nfs/dbraw/zinc/34/07/57/183340757.db2.gz KTQXFOYUZHJMHA-UHFFFAOYSA-N 0 1 236.315 2.066 20 0 BEADMN c1cc(CN2CCC[C@@H](C3CC3)C2)no1 ZINC000289473251 183342979 /nfs/dbraw/zinc/34/29/79/183342979.db2.gz RDPQOGNIPTVPLK-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN c1cc(CN2CCOCC3(CCCC3)C2)on1 ZINC000364328282 183344735 /nfs/dbraw/zinc/34/47/35/183344735.db2.gz MNLACPLSTIOCMA-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN c1cc(CNCc2ccc3cc[nH]c3n2)c[nH]1 ZINC000353223342 183351478 /nfs/dbraw/zinc/35/14/78/183351478.db2.gz IJPSJDDYMJVVHS-UHFFFAOYSA-N 0 1 226.283 2.181 20 0 BEADMN c1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)no1 ZINC000340517912 183353588 /nfs/dbraw/zinc/35/35/88/183353588.db2.gz OOTNHRJCWFSWNS-YNEHKIRRSA-N 0 1 248.326 2.112 20 0 BEADMN c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)no1 ZINC000340517907 183353635 /nfs/dbraw/zinc/35/36/35/183353635.db2.gz OOTNHRJCWFSWNS-UPJWGTAASA-N 0 1 248.326 2.112 20 0 BEADMN c1cc(CCCN2CCO[C@@H]3CCC[C@H]32)ccn1 ZINC000360442442 183336466 /nfs/dbraw/zinc/33/64/66/183336466.db2.gz CURXAMBMRGKVSV-HUUCEWRRSA-N 0 1 246.354 2.268 20 0 BEADMN c1cn(-c2ccccc2)nc1CNC1CC1 ZINC000035452559 183386274 /nfs/dbraw/zinc/38/62/74/183386274.db2.gz GDCXQFIFIYBRIJ-UHFFFAOYSA-N 0 1 213.284 2.124 20 0 BEADMN c1ncn2cc(-c3nc(C4CC4)no3)ccc12 ZINC000284022531 183376252 /nfs/dbraw/zinc/37/62/52/183376252.db2.gz RIZNYAMSKLNQFU-UHFFFAOYSA-N 0 1 226.239 2.262 20 0 BEADMN CCCNC(=O)[C@@H](C)N(C)Cc1cccc(C)c1 ZINC000340406286 169241674 /nfs/dbraw/zinc/24/16/74/169241674.db2.gz ASLUXIYLZHZEHC-CYBMUJFWSA-N 0 1 248.370 2.342 20 0 BEADMN c1cc(CN2CCC(c3ccccn3)CC2)on1 ZINC000371319073 183390333 /nfs/dbraw/zinc/39/03/33/183390333.db2.gz NIXZVQSXKUVXIP-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CCCOCc1nc([C@@H](N)CC(C)C)no1 ZINC000339388806 169311063 /nfs/dbraw/zinc/31/10/63/169311063.db2.gz AWNGQVMOEQAHMO-VIFPVBQESA-N 0 1 227.308 2.042 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1nccs1 ZINC000298451821 169364322 /nfs/dbraw/zinc/36/43/22/169364322.db2.gz HHHBHNUGEDSANH-SECBINFHSA-N 0 1 241.360 2.202 20 0 BEADMN CCC[C@@H](C)CC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286415208 169356617 /nfs/dbraw/zinc/35/66/17/169356617.db2.gz PIVUYGVYXFLQGD-RKDXNWHRSA-N 0 1 238.335 2.117 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000051322539 169357920 /nfs/dbraw/zinc/35/79/20/169357920.db2.gz BPOOVIFNIAVNRQ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@H]1CCCN1C1CC1 ZINC000362697546 169377154 /nfs/dbraw/zinc/37/71/54/169377154.db2.gz CEFNSUZGFGERHP-DGCLKSJQSA-N 0 1 238.375 2.308 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1[nH]nc2c1CCC2 ZINC000299354257 169378097 /nfs/dbraw/zinc/37/80/97/169378097.db2.gz PYQISBGXWLLWMM-SECBINFHSA-N 0 1 235.331 2.207 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1cnccc1N(C)C ZINC000291461400 169378263 /nfs/dbraw/zinc/37/82/63/169378263.db2.gz IGLNWTJVUKRHRA-LLVKDONJSA-N 0 1 249.358 2.456 20 0 BEADMN c1nc(CN[C@@H]2CCC23CCOCC3)cs1 ZINC000309633876 183530366 /nfs/dbraw/zinc/53/03/66/183530366.db2.gz RVIOATTWAWZZHO-LLVKDONJSA-N 0 1 238.356 2.192 20 0 BEADMN CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)[C@H](C)O)CC2 ZINC001644423274 1172556790 /nfs/dbraw/zinc/55/67/90/1172556790.db2.gz QNUZIGVOPISSCA-RYUDHWBXSA-N 0 1 249.354 2.213 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000051322541 169479986 /nfs/dbraw/zinc/47/99/86/169479986.db2.gz BPOOVIFNIAVNRQ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](C[C@H](C)O)NCc1ncc(Cl)s1 ZINC000225381431 134354866 /nfs/dbraw/zinc/35/48/66/134354866.db2.gz XPQVTYBIZWGJLG-RQJHMYQMSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H](O)[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC001644873949 1172616096 /nfs/dbraw/zinc/61/60/96/1172616096.db2.gz YNNNTDUHUHXSLK-UWVGGRQHSA-N 0 1 234.299 2.029 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)C1CCCCC1 ZINC000299657535 169660812 /nfs/dbraw/zinc/66/08/12/169660812.db2.gz PQWNJTGISDFXIH-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000184648188 134366922 /nfs/dbraw/zinc/36/69/22/134366922.db2.gz TVPGVMIVIVGRKP-TUAOUCFPSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@H]1COCCN1C[C@@H]1CCC(C)(C)O1 ZINC000184657405 134367747 /nfs/dbraw/zinc/36/77/47/134367747.db2.gz OFSNKRCJZIHPLM-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NCC1CCC1 ZINC000185589780 134381822 /nfs/dbraw/zinc/38/18/22/134381822.db2.gz KGPIPKSQWVDUAX-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN CCc1c(-c2nc([C@H]3CCCN3)no2)ccn1C ZINC000647145118 383842364 /nfs/dbraw/zinc/84/23/64/383842364.db2.gz ODLYCIXTWXVBSW-SNVBAGLBSA-N 0 1 246.314 2.062 20 0 BEADMN CCc1onc(C)c1-c1nc([C@H]2CCCN2)no1 ZINC000647145959 383846894 /nfs/dbraw/zinc/84/68/94/383846894.db2.gz JOFBESQTETWDHV-MRVPVSSYSA-N 0 1 248.286 2.020 20 0 BEADMN C/C=C(/CC)c1nc([C@@H]2CCCN2)no1 ZINC000647145969 383846981 /nfs/dbraw/zinc/84/69/81/383846981.db2.gz JXBZWWGLSPQMMU-CHDHTGKKSA-N 0 1 207.277 2.307 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000111255143 383848147 /nfs/dbraw/zinc/84/81/47/383848147.db2.gz DXHHMJIBTIAPRT-YPMHNXCESA-N 0 1 234.343 2.191 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cn2cccnc2n1 ZINC000111254256 383848227 /nfs/dbraw/zinc/84/82/27/383848227.db2.gz PCGKNMVUXKPQBJ-LLVKDONJSA-N 0 1 232.331 2.207 20 0 BEADMN CC[C@H](C)[C@@H](OC)c1nc([C@H]2CCCN2)no1 ZINC000647146033 383851190 /nfs/dbraw/zinc/85/11/90/383851190.db2.gz LNMVZRNFXIICFO-IVZWLZJFSA-N 0 1 239.319 2.228 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@@H](C)O)c2ccccc2n1 ZINC000088077873 383877372 /nfs/dbraw/zinc/87/73/72/383877372.db2.gz HKRHEAZSIZZPKI-GFCCVEGCSA-N 0 1 244.338 2.356 20 0 BEADMN CC[C@@H](C)CCc1nc([C@@H]2CCCN2)no1 ZINC000647144633 383832962 /nfs/dbraw/zinc/83/29/62/383832962.db2.gz CBYJXDUGCDQYIT-ZJUUUORDSA-N 0 1 223.320 2.473 20 0 BEADMN C[C@]1(c2nc([C@@H]3CCCN3)no2)CC=CCC1 ZINC000647144109 383833295 /nfs/dbraw/zinc/83/32/95/383833295.db2.gz MPBSTMFKTUNJDW-GWCFXTLKSA-N 0 1 233.315 2.492 20 0 BEADMN CC[C@@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000067182922 383914855 /nfs/dbraw/zinc/91/48/55/383914855.db2.gz ZASFEUXLPURYJD-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000348155384 383918796 /nfs/dbraw/zinc/91/87/96/383918796.db2.gz YGPILXGVZSEGEI-NRPADANISA-N 0 1 212.243 2.386 20 0 BEADMN CC(C)c1cc(-c2nc([C@@H]3CCCN3)no2)no1 ZINC000647147569 383882184 /nfs/dbraw/zinc/88/21/84/383882184.db2.gz UQGYYNJPGRQMFV-QMMMGPOBSA-N 0 1 248.286 2.273 20 0 BEADMN Cc1ccnc(NC(=O)c2ncc(C)cc2O)c1 ZINC000358613956 383988522 /nfs/dbraw/zinc/98/85/22/383988522.db2.gz HVEORDIUSZZHJL-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CC[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)C(F)F ZINC000449364816 383992796 /nfs/dbraw/zinc/99/27/96/383992796.db2.gz UJUBUVYZYQVSTE-YWVKMMECSA-N 0 1 232.318 2.245 20 0 BEADMN c1c(-c2nc([C@H]3CCCN3)no2)noc1C1CC1 ZINC000647154141 383994866 /nfs/dbraw/zinc/99/48/66/383994866.db2.gz VJUCRCOWEJXXPV-MRVPVSSYSA-N 0 1 246.270 2.027 20 0 BEADMN CC(C)(C)CCN(CC(N)=O)Cc1ccccc1 ZINC000112698229 383942765 /nfs/dbraw/zinc/94/27/65/383942765.db2.gz IILZINQNUACBHJ-UHFFFAOYSA-N 0 1 248.370 2.410 20 0 BEADMN CC[C@@H](NC[C@H]1CCCOC1)C(F)F ZINC000449364830 384000514 /nfs/dbraw/zinc/00/05/14/384000514.db2.gz UKSZGOSPERCAGT-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H]1OCCN(Cc2ccc3nc[nH]c3c2)[C@H]1C ZINC000538726160 383963619 /nfs/dbraw/zinc/96/36/19/383963619.db2.gz AEALMUDDMFGTJL-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CO1 ZINC000647213426 383977610 /nfs/dbraw/zinc/97/76/10/383977610.db2.gz BLUVYTQOQWQSFY-JOYOIKCWSA-N 0 1 218.300 2.160 20 0 BEADMN C(=C/c1nc([C@H]2CCCN2)no1)\c1ccco1 ZINC000647155690 384031355 /nfs/dbraw/zinc/03/13/55/384031355.db2.gz FBGDGZAVPVALAO-BRAIEQGRSA-N 0 1 231.255 2.258 20 0 BEADMN c1ccc(NCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000647156576 384035095 /nfs/dbraw/zinc/03/50/95/384035095.db2.gz FRASAGQLMHENBU-NSHDSACASA-N 0 1 244.298 2.106 20 0 BEADMN c1ccc(NCc2nc([C@H]3CCCN3)no2)cc1 ZINC000647156575 384036959 /nfs/dbraw/zinc/03/69/59/384036959.db2.gz FRASAGQLMHENBU-LLVKDONJSA-N 0 1 244.298 2.106 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2csc(C)n2)C1(C)C ZINC000227825965 134389270 /nfs/dbraw/zinc/38/92/70/134389270.db2.gz MUDIANCBCXQBOC-GHMZBOCLSA-N 0 1 240.372 2.355 20 0 BEADMN FC(F)(F)[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000334348519 384042440 /nfs/dbraw/zinc/04/24/40/384042440.db2.gz YWYNCEXOGINWBQ-RKDXNWHRSA-N 0 1 223.238 2.050 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)CO1 ZINC000647219201 384090040 /nfs/dbraw/zinc/09/00/40/384090040.db2.gz LJILREVZBCVUQV-CABNGKKXSA-N 0 1 235.302 2.391 20 0 BEADMN Cc1cc(CN2CCC3(CC3)CC2)no1 ZINC000363458833 384062280 /nfs/dbraw/zinc/06/22/80/384062280.db2.gz BZIHEBFMECLSGL-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN C[N@@H+](Cc1nccc(N)n1)C1CCC(C)(C)CC1 ZINC000135141560 384063916 /nfs/dbraw/zinc/06/39/16/384063916.db2.gz AKSLCGSVGVEWEA-UHFFFAOYSA-N 0 1 248.374 2.459 20 0 BEADMN CN(Cc1nccc(N)n1)C1CCC(C)(C)CC1 ZINC000135141560 384063922 /nfs/dbraw/zinc/06/39/22/384063922.db2.gz AKSLCGSVGVEWEA-UHFFFAOYSA-N 0 1 248.374 2.459 20 0 BEADMN C[C@H](NCC1CCCC1)c1csnn1 ZINC000398317632 384068017 /nfs/dbraw/zinc/06/80/17/384068017.db2.gz GHTDEKOZVVHUKD-QMMMGPOBSA-N 0 1 211.334 2.379 20 0 BEADMN C[C@@H](CO)[C@@H](C)NCc1csc(C2CC2)n1 ZINC000077422033 384068302 /nfs/dbraw/zinc/06/83/02/384068302.db2.gz GTIRQWNUDRFFPE-DTWKUNHWSA-N 0 1 240.372 2.127 20 0 BEADMN CC[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000070286964 384097242 /nfs/dbraw/zinc/09/72/42/384097242.db2.gz CUXMEYANNKNRDP-MRVPVSSYSA-N 0 1 217.272 2.091 20 0 BEADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccccn1 ZINC000310247609 384099284 /nfs/dbraw/zinc/09/92/84/384099284.db2.gz NHSJFFKCHNQCFE-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN O=C(C1=CCCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336543985 384101683 /nfs/dbraw/zinc/10/16/83/384101683.db2.gz WGFQBXOOOJDFTA-CQSZACIVSA-N 0 1 248.370 2.184 20 0 BEADMN COC(=O)C1CCN(Cc2ccsc2)CC1 ZINC000050048157 384102545 /nfs/dbraw/zinc/10/25/45/384102545.db2.gz XWQLTNALGPSBOH-UHFFFAOYSA-N 0 1 239.340 2.133 20 0 BEADMN CCc1ccc(C[N@@H+](CC)CCO)cc1 ZINC000050105314 384107085 /nfs/dbraw/zinc/10/70/85/384107085.db2.gz CGXZSGVBALPHPU-UHFFFAOYSA-N 0 1 207.317 2.063 20 0 BEADMN CCCC[N@@H+](CCO)Cc1ccsc1 ZINC000050106234 384108973 /nfs/dbraw/zinc/10/89/73/384108973.db2.gz KLNLGZCCWNOKIL-UHFFFAOYSA-N 0 1 213.346 2.343 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000158688103 384109216 /nfs/dbraw/zinc/10/92/16/384109216.db2.gz DESYZBKJGDWDNG-ZJUUUORDSA-N 0 1 235.331 2.226 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499536 384114606 /nfs/dbraw/zinc/11/46/06/384114606.db2.gz OUUJVXRYDJHUCE-CQSZACIVSA-N 0 1 245.322 2.082 20 0 BEADMN C[C@@H](NCC1(O)CCCCC1)c1nccs1 ZINC000070651063 384129641 /nfs/dbraw/zinc/12/96/41/384129641.db2.gz PAFQSPUHKVVVKE-SNVBAGLBSA-N 0 1 240.372 2.489 20 0 BEADMN CN1CCN(C(=O)CCCC2CC2)C(C)(C)C1 ZINC000643744467 384130021 /nfs/dbraw/zinc/13/00/21/384130021.db2.gz OIPQVDJQDARRMY-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](CN1CCNC(=O)C1(C)C)c1ccccc1 ZINC000116878581 384157883 /nfs/dbraw/zinc/15/78/83/384157883.db2.gz SLUZILMWUVKRQR-LBPRGKRZSA-N 0 1 246.354 2.001 20 0 BEADMN CCO[C@@H](C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091836895 384147231 /nfs/dbraw/zinc/14/72/31/384147231.db2.gz UMNVWPQGLQAGSR-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN c1nc(CNC[C@H]2CCCS2)cs1 ZINC000087473081 384149071 /nfs/dbraw/zinc/14/90/71/384149071.db2.gz DLAVJAWWDUESPJ-SECBINFHSA-N 0 1 214.359 2.128 20 0 BEADMN C[C@H](CN1CCNC(=O)C1(C)C)c1ccccc1 ZINC000116878584 384156764 /nfs/dbraw/zinc/15/67/64/384156764.db2.gz SLUZILMWUVKRQR-GFCCVEGCSA-N 0 1 246.354 2.001 20 0 BEADMN CCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CCC1 ZINC000336573888 384163183 /nfs/dbraw/zinc/16/31/83/384163183.db2.gz ORZAGZIOFVLVFW-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(C(=O)N2CCCC[C@H]2C(C)C)n[nH]1 ZINC000117298483 384169777 /nfs/dbraw/zinc/16/97/77/384169777.db2.gz KIFQIPWPXWTRLI-LBPRGKRZSA-N 0 1 235.331 2.369 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000117264382 384170324 /nfs/dbraw/zinc/17/03/24/384170324.db2.gz STHDAIDEQFHORG-NSHDSACASA-N 0 1 235.331 2.370 20 0 BEADMN CC(C)C[C@H]1CCN(Cc2nccn2C)C1 ZINC000074994004 384178559 /nfs/dbraw/zinc/17/85/59/384178559.db2.gz QGYUZUKHOTXUCZ-GFCCVEGCSA-N 0 1 221.348 2.288 20 0 BEADMN Cc1occc1CN(C)CC1=CCCOC1 ZINC000092451846 384179340 /nfs/dbraw/zinc/17/93/40/384179340.db2.gz XJTRZANDWLAMBW-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2(C)CCC2)C1 ZINC000334598667 384180364 /nfs/dbraw/zinc/18/03/64/384180364.db2.gz WVLBYODBFAJACE-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1SCCN(Cc2ccccn2)[C@H]1C ZINC000118533533 384201779 /nfs/dbraw/zinc/20/17/79/384201779.db2.gz JWVCMPUDKJJLIF-QWRGUYRKSA-N 0 1 222.357 2.407 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1Cc1cccnc1 ZINC000118533541 384202873 /nfs/dbraw/zinc/20/28/73/384202873.db2.gz BUSVYWGLSLBPAH-MNOVXSKESA-N 0 1 222.357 2.407 20 0 BEADMN Cc1ccncc1NS(=O)(=O)c1ccccc1 ZINC000081570996 384188448 /nfs/dbraw/zinc/18/84/48/384188448.db2.gz RIZFBTHHGGAMEV-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN CC[C@H]1CCCCN1C(=O)c1coc(CN)c1 ZINC000187184872 384193317 /nfs/dbraw/zinc/19/33/17/384193317.db2.gz KMFVYUKZTQBEEZ-NSHDSACASA-N 0 1 236.315 2.143 20 0 BEADMN NCc1cc(C(=O)NC2CCCCCC2)co1 ZINC000187195753 384194213 /nfs/dbraw/zinc/19/42/13/384194213.db2.gz SDSFOCXGNHYYPZ-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC000520893542 384198372 /nfs/dbraw/zinc/19/83/72/384198372.db2.gz XIFYYUUKOQVLMT-JQWIXIFHSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC000520893542 384198374 /nfs/dbraw/zinc/19/83/74/384198374.db2.gz XIFYYUUKOQVLMT-JQWIXIFHSA-N 0 1 220.316 2.408 20 0 BEADMN CCC1(C(=O)Nc2nnc(C)[nH]2)CCCC1 ZINC000119066786 384230237 /nfs/dbraw/zinc/23/02/37/384230237.db2.gz JHPOVXGAMGXHOM-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN Fc1ccc2c(c1)CCN(C[C@H]1CCCO1)C2 ZINC000119070813 384230872 /nfs/dbraw/zinc/23/08/72/384230872.db2.gz WCFKBCBWFVBKRD-CQSZACIVSA-N 0 1 235.302 2.363 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H]2CCCCO2)CCO1 ZINC000135658109 384232562 /nfs/dbraw/zinc/23/25/62/384232562.db2.gz YTWOZSYBZVVITA-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN C[C@@H](O)CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000093368211 384233004 /nfs/dbraw/zinc/23/30/04/384233004.db2.gz DLUGITCDKLCHDX-RKDXNWHRSA-N 0 1 240.372 2.053 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000132510197 384233172 /nfs/dbraw/zinc/23/31/72/384233172.db2.gz YVLWFXPRQGRUOK-UWVGGRQHSA-N 0 1 235.331 2.090 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@]3(CCOC3)C2)o1 ZINC000336614861 384236127 /nfs/dbraw/zinc/23/61/27/384236127.db2.gz AIKSHVVQYCRVLP-AAEUAGOBSA-N 0 1 236.315 2.156 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2cscn2)C1(C)C ZINC000072926394 384237574 /nfs/dbraw/zinc/23/75/74/384237574.db2.gz YKQDSVOPGFRRFW-ZYHUDNBSSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000093171668 384217428 /nfs/dbraw/zinc/21/74/28/384217428.db2.gz KAXSTQVVQLPDKY-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@H]1CCCC(C)(C)C1 ZINC000560555171 384221079 /nfs/dbraw/zinc/22/10/79/384221079.db2.gz QGLCTRVVUMCSKI-NSHDSACASA-N 0 1 236.363 2.453 20 0 BEADMN CCOCCN[C@@](C)(CC)c1nccs1 ZINC000173514165 384225776 /nfs/dbraw/zinc/22/57/76/384225776.db2.gz JJWOEMKRCMGFAM-NSHDSACASA-N 0 1 228.361 2.394 20 0 BEADMN OCc1ccc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000518726012 384229038 /nfs/dbraw/zinc/22/90/38/384229038.db2.gz ISFGAKNFFAXYRU-VXGBXAGGSA-N 0 1 233.267 2.011 20 0 BEADMN CCCCN(CCOC)Cc1cncs1 ZINC000093322989 384229283 /nfs/dbraw/zinc/22/92/83/384229283.db2.gz VMXBMLFUNOSTEO-UHFFFAOYSA-N 0 1 228.361 2.392 20 0 BEADMN C[C@H]1SCCN(Cc2cncs2)[C@@H]1C ZINC000093499870 384245129 /nfs/dbraw/zinc/24/51/29/384245129.db2.gz BWRFQPCCRXSCPZ-RKDXNWHRSA-N 0 1 228.386 2.469 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000133359580 384245238 /nfs/dbraw/zinc/24/52/38/384245238.db2.gz CUUYTYUKGPYOGO-HRDYMLBCSA-N 0 1 214.334 2.217 20 0 BEADMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccsc1 ZINC000082681151 384255311 /nfs/dbraw/zinc/25/53/11/384255311.db2.gz GISYUAIDTSRHBD-SVRRBLITSA-N 0 1 239.262 2.322 20 0 BEADMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccsc1 ZINC000082681152 384255685 /nfs/dbraw/zinc/25/56/85/384255685.db2.gz GISYUAIDTSRHBD-POYBYMJQSA-N 0 1 239.262 2.322 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000119492359 384277527 /nfs/dbraw/zinc/27/75/27/384277527.db2.gz BAHTVNBWICEOFG-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1ccc(CN2CCC[C@H](n3cncn3)C2)o1 ZINC000119492359 384277535 /nfs/dbraw/zinc/27/75/35/384277535.db2.gz BAHTVNBWICEOFG-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000093670066 384257126 /nfs/dbraw/zinc/25/71/26/384257126.db2.gz QHGQWRMDLCPQAQ-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)C1CCN(Cc2c[nH]cn2)CC1 ZINC000093670066 384257128 /nfs/dbraw/zinc/25/71/28/384257128.db2.gz QHGQWRMDLCPQAQ-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CC[N@H+](C)CCN[C@@H]1CCCOc2ccccc21 ZINC000158802757 384271805 /nfs/dbraw/zinc/27/18/05/384271805.db2.gz SWOQEAAIOJGXMS-CQSZACIVSA-N 0 1 248.370 2.442 20 0 BEADMN Cn1cccc1[C@@H]1CCCCN1Cc1cnc[nH]1 ZINC000093845420 384275782 /nfs/dbraw/zinc/27/57/82/384275782.db2.gz SYIIGPYWRMHAME-AWEZNQCLSA-N 0 1 244.342 2.475 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1ccnn1C ZINC000093871012 384276070 /nfs/dbraw/zinc/27/60/70/384276070.db2.gz ZOWFQZRLCVDTTQ-LLVKDONJSA-N 0 1 241.404 2.384 20 0 BEADMN Cc1ccc(F)c(CN(C)CC[C@@H](C)O)c1 ZINC000093481108 384241893 /nfs/dbraw/zinc/24/18/93/384241893.db2.gz YAJGLGQGRWXBKS-LLVKDONJSA-N 0 1 225.307 2.337 20 0 BEADMN CCN1C(=O)N=NC1SCC1=CCCC1 ZINC000647115078 384283798 /nfs/dbraw/zinc/28/37/98/384283798.db2.gz DPWHGVCJLCOJAL-UHFFFAOYSA-N 0 1 225.317 2.206 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1ccsc1 ZINC000566358676 384292497 /nfs/dbraw/zinc/29/24/97/384292497.db2.gz LVCVSPSKVVQDPN-JTQLQIEISA-N 0 1 225.313 2.216 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000094525536 384301226 /nfs/dbraw/zinc/30/12/26/384301226.db2.gz IRLYCDMYBBXBEP-JTQLQIEISA-N 0 1 233.311 2.469 20 0 BEADMN Cc1cc(C[N@@H+](C)CCC(=O)[O-])c(C)s1 ZINC000083410557 384301827 /nfs/dbraw/zinc/30/18/27/384301827.db2.gz WVACAVXKMYPESZ-UHFFFAOYSA-N 0 1 227.329 2.271 20 0 BEADMN CC(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000074732419 384303754 /nfs/dbraw/zinc/30/37/54/384303754.db2.gz QVZVVUIHPCMTPN-UHFFFAOYSA-N 0 1 217.272 2.091 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000120276592 384345066 /nfs/dbraw/zinc/34/50/66/384345066.db2.gz HXYBRBSJAOPZGJ-RYUDHWBXSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558866934 384348471 /nfs/dbraw/zinc/34/84/71/384348471.db2.gz VGDIVZFDBKQMBQ-ZJUUUORDSA-N 0 1 242.269 2.456 20 0 BEADMN C[C@H](c1ccccn1)N1CC[C@H](OC(F)F)C1 ZINC000558866934 384348477 /nfs/dbraw/zinc/34/84/77/384348477.db2.gz VGDIVZFDBKQMBQ-ZJUUUORDSA-N 0 1 242.269 2.456 20 0 BEADMN CCCC1(CNC(=O)c2coc(CN)c2)CC1 ZINC000188015151 384355514 /nfs/dbraw/zinc/35/55/14/384355514.db2.gz BWHMBZFCKJWRND-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CC(C)NCc1nnc(C(C)(C)C)s1 ZINC000083989115 384355838 /nfs/dbraw/zinc/35/58/38/384355838.db2.gz UYTASSFOUGFGRT-UHFFFAOYSA-N 0 1 213.350 2.334 20 0 BEADMN CCONC(=O)C(C)(C)c1cccc(F)c1 ZINC000134548185 384363458 /nfs/dbraw/zinc/36/34/58/384363458.db2.gz DDXBTKUJQISARC-UHFFFAOYSA-N 0 1 225.263 2.171 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@@H](C)O)oc1C ZINC000159195779 384364483 /nfs/dbraw/zinc/36/44/83/384364483.db2.gz WGDLRVJEUZNGFP-BXKDBHETSA-N 0 1 238.331 2.027 20 0 BEADMN CSC[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000120029918 384324377 /nfs/dbraw/zinc/32/43/77/384324377.db2.gz WYVZMURFDFYMRU-MRVPVSSYSA-N 0 1 249.339 2.044 20 0 BEADMN Cc1nccc(N[C@H]2CCO[C@H](C)C2)c1Cl ZINC000335557919 384325428 /nfs/dbraw/zinc/32/54/28/384325428.db2.gz UVOFQLLWVPLZPN-SCZZXKLOSA-N 0 1 240.734 2.445 20 0 BEADMN COC[C@@H](C)N1CCc2ccc(F)cc2C1 ZINC000134098713 384331312 /nfs/dbraw/zinc/33/13/12/384331312.db2.gz CKFBJKIYGDMQTP-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CC(C)=CCN1CCN(c2cccc(O)c2)CC1 ZINC000121069869 384395556 /nfs/dbraw/zinc/39/55/56/384395556.db2.gz WGOUVERIDNWZSE-UHFFFAOYSA-N 0 1 246.354 2.480 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCCC[C@H]1F ZINC000335630744 384410461 /nfs/dbraw/zinc/41/04/61/384410461.db2.gz GVLJFKCQIVSILX-GHMZBOCLSA-N 0 1 211.284 2.088 20 0 BEADMN COC[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(C)o1 ZINC000121501453 384420563 /nfs/dbraw/zinc/42/05/63/384420563.db2.gz XSFIAIQHIPWQLK-UTUOFQBUSA-N 0 1 239.315 2.043 20 0 BEADMN CC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078796277 384423582 /nfs/dbraw/zinc/42/35/82/384423582.db2.gz QYCZEHPEAOXHDJ-UHFFFAOYSA-N 0 1 233.311 2.307 20 0 BEADMN COc1ccc(CN2CC(C3CC3)C2)cc1O ZINC000643345691 384423918 /nfs/dbraw/zinc/42/39/18/384423918.db2.gz GKJOBKSTUMMOPP-UHFFFAOYSA-N 0 1 233.311 2.243 20 0 BEADMN COc1cc(C)nc(CN2CC(C3CC3)C2)c1 ZINC000643345186 384376092 /nfs/dbraw/zinc/37/60/92/384376092.db2.gz GWYQOZRKIHMWTR-UHFFFAOYSA-N 0 1 232.327 2.240 20 0 BEADMN Cc1cccc2ncc(CN3CC(C4CC4)C3)n21 ZINC000643345892 384425223 /nfs/dbraw/zinc/42/52/23/384425223.db2.gz SSDVLRPYIPNPSE-UHFFFAOYSA-N 0 1 241.338 2.485 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCCCC2(C)C)[nH]n1 ZINC000134741356 384385045 /nfs/dbraw/zinc/38/50/45/384385045.db2.gz SBVKEBZSQLIHOB-LBPRGKRZSA-N 0 1 249.358 2.346 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]1c1ccccc1 ZINC000078805488 384390660 /nfs/dbraw/zinc/39/06/60/384390660.db2.gz ACDKMMMTFDEBRN-ZDUSSCGKSA-N 0 1 241.294 2.387 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000135454719 384445716 /nfs/dbraw/zinc/44/57/16/384445716.db2.gz AVESYZGAKMHXCM-JTQLQIEISA-N 0 1 212.318 2.002 20 0 BEADMN CSC[C@@H]1CCCN1Cc1ccon1 ZINC000135454719 384445724 /nfs/dbraw/zinc/44/57/24/384445724.db2.gz AVESYZGAKMHXCM-JTQLQIEISA-N 0 1 212.318 2.002 20 0 BEADMN Cc1ccncc1CN[C@H](CO)c1ccccc1 ZINC000135460172 384446126 /nfs/dbraw/zinc/44/61/26/384446126.db2.gz KICBVCJCSJWHLW-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN CCOCCNCc1ccc(Br)o1 ZINC000036228707 384436092 /nfs/dbraw/zinc/43/60/92/384436092.db2.gz RJQLCOKZNXWZLB-UHFFFAOYSA-N 0 1 248.120 2.168 20 0 BEADMN COCc1cccc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000229882630 384460086 /nfs/dbraw/zinc/46/00/86/384460086.db2.gz OMRYGHRLANGQDF-LLVKDONJSA-N 0 1 245.326 2.407 20 0 BEADMN COCc1cccc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000229882625 384461682 /nfs/dbraw/zinc/46/16/82/384461682.db2.gz OMRYGHRLANGQDF-NSHDSACASA-N 0 1 245.326 2.407 20 0 BEADMN C[C@H](NCc1ccnn1C)c1cccs1 ZINC000036901262 384463465 /nfs/dbraw/zinc/46/34/65/384463465.db2.gz YHZSQCPOMMJIHY-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN C[C@@H](NCC1(O)CCCCC1)c1cscn1 ZINC000161181085 384474503 /nfs/dbraw/zinc/47/45/03/384474503.db2.gz WDUQCHDMNHYLQW-SNVBAGLBSA-N 0 1 240.372 2.489 20 0 BEADMN CC[N@@H+](CCCCC(=O)[O-])CC(C)C ZINC000037111856 384482979 /nfs/dbraw/zinc/48/29/79/384482979.db2.gz AZOGDEROVOYYQD-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CC(C)n1ccnc1CN(C)C1CCOCC1 ZINC000530970398 384502759 /nfs/dbraw/zinc/50/27/59/384502759.db2.gz DQGKHCYLNISTDG-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H](NCc1cncn1C)c1ccsc1 ZINC000085169553 384506923 /nfs/dbraw/zinc/50/69/23/384506923.db2.gz LNNRZUVCPRSLQZ-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CC(C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150835000 384509717 /nfs/dbraw/zinc/50/97/17/384509717.db2.gz SJKXNQVNQIOHIP-NSHDSACASA-N 0 1 230.315 2.326 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ncc(C)cn2)CC1 ZINC000361428023 384535318 /nfs/dbraw/zinc/53/53/18/384535318.db2.gz XJHYNYNOVSDIAR-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000122847724 384513904 /nfs/dbraw/zinc/51/39/04/384513904.db2.gz SPQZCGMVTNHRQK-GHMZBOCLSA-N 0 1 249.358 2.223 20 0 BEADMN CC(C)c1cc(C(=O)N(C)CC(F)(F)F)n[nH]1 ZINC000097376150 384514623 /nfs/dbraw/zinc/51/46/23/384514623.db2.gz YBKRBBWTMLVUEH-UHFFFAOYSA-N 0 1 249.236 2.167 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323285897 384517681 /nfs/dbraw/zinc/51/76/81/384517681.db2.gz KDQSUVIOWVHBLS-XTOZHPGHSA-N 0 1 233.311 2.495 20 0 BEADMN C(c1nc(C2CC2)no1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153269617 384519125 /nfs/dbraw/zinc/51/91/25/384519125.db2.gz FJYAMENSJMLGRX-PHIMTYICSA-N 0 1 233.315 2.179 20 0 BEADMN CC[N@@H+](CC(=O)N(CC1CC1)C(C)C)C1CC1 ZINC000533548343 384541945 /nfs/dbraw/zinc/54/19/45/384541945.db2.gz HVFKEGFUSSDAKH-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(=O)N(CC1CC1)C(C)C)C1CC1 ZINC000533548343 384541947 /nfs/dbraw/zinc/54/19/47/384541947.db2.gz HVFKEGFUSSDAKH-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN CCOC(=O)Cc1cc(F)c(O)c(Cl)c1 ZINC000261026550 384545253 /nfs/dbraw/zinc/54/52/53/384545253.db2.gz DXHTYRZQZHWGAH-UHFFFAOYSA-N 0 1 232.638 2.290 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224794333 384555939 /nfs/dbraw/zinc/55/59/39/384555939.db2.gz QIODVIUOPVKGGK-OLZOCXBDSA-N 0 1 233.311 2.339 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cscn1)C(C)C ZINC000271148211 384568556 /nfs/dbraw/zinc/56/85/56/384568556.db2.gz PUDGLWAHDNTTCO-KOLCDFICSA-N 0 1 228.361 2.465 20 0 BEADMN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1cc(C)on1 ZINC000647336583 384575217 /nfs/dbraw/zinc/57/52/17/384575217.db2.gz CPVWDKUZJUSOBB-ZMLRMANQSA-N 0 1 240.347 2.431 20 0 BEADMN COC(=O)c1ccccc1CN1CCCC1 ZINC000020220919 384604259 /nfs/dbraw/zinc/60/42/59/384604259.db2.gz UDUGVZPPSBURQF-UHFFFAOYSA-N 0 1 219.284 2.069 20 0 BEADMN Cc1ccn2c(CN[C@H](C)CF)cnc2c1 ZINC000309789750 384604584 /nfs/dbraw/zinc/60/45/84/384604584.db2.gz UELUALDJHUJHGW-SNVBAGLBSA-N 0 1 221.279 2.090 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403230935 384606271 /nfs/dbraw/zinc/60/62/71/384606271.db2.gz OGDSRLNZNYUQAL-GFQSEFKGSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403230941 384607296 /nfs/dbraw/zinc/60/72/96/384607296.db2.gz OGDSRLNZNYUQAL-NRWUCQMLSA-N 0 1 237.343 2.362 20 0 BEADMN CCOC[C@H]1CCN(Cc2csc(C)n2)C1 ZINC000176349327 384608709 /nfs/dbraw/zinc/60/87/09/384608709.db2.gz VRIBCSPGCDJERQ-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN Nc1cc(N)nc(SCCC2CCCC2)n1 ZINC000172694150 384618176 /nfs/dbraw/zinc/61/81/76/384618176.db2.gz FFBIVPPRKMKPKD-UHFFFAOYSA-N 0 1 238.360 2.313 20 0 BEADMN CCC=C(C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184545391 384618831 /nfs/dbraw/zinc/61/88/31/384618831.db2.gz GVVLGLVDBXOOAG-VMPITWQZSA-N 0 1 234.303 2.367 20 0 BEADMN CC/C=C(\C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184545391 384618836 /nfs/dbraw/zinc/61/88/36/384618836.db2.gz GVVLGLVDBXOOAG-VMPITWQZSA-N 0 1 234.303 2.367 20 0 BEADMN CC(C)CCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184583728 384623500 /nfs/dbraw/zinc/62/35/00/384623500.db2.gz NLKKJNBORSUPNW-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)CCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184583728 384623507 /nfs/dbraw/zinc/62/35/07/384623507.db2.gz NLKKJNBORSUPNW-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC[C@@](C)(N)c1nc(-c2ccncc2)no1 ZINC000036865017 384627456 /nfs/dbraw/zinc/62/74/56/384627456.db2.gz ALUWYTUQSQHSBJ-GFCCVEGCSA-N 0 1 232.287 2.106 20 0 BEADMN CC(C)(C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184616638 384627616 /nfs/dbraw/zinc/62/76/16/384627616.db2.gz JVNBEGMRHTWROI-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)(C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184616638 384627623 /nfs/dbraw/zinc/62/76/23/384627623.db2.gz JVNBEGMRHTWROI-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN(CCO)C2CC2)o1 ZINC000081649285 384628142 /nfs/dbraw/zinc/62/81/42/384628142.db2.gz BBVWWOGVWVVMCL-GXFFZTMASA-N 0 1 235.327 2.360 20 0 BEADMN C[C@H](NCCO)c1ccccc1Br ZINC000020597064 384628521 /nfs/dbraw/zinc/62/85/21/384628521.db2.gz DIJCQPFISSGEJJ-QMMMGPOBSA-N 0 1 244.132 2.092 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000042163610 384631496 /nfs/dbraw/zinc/63/14/96/384631496.db2.gz ONBUAMIKBKWWTC-CYBMUJFWSA-N 0 1 233.311 2.168 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000517959079 384593729 /nfs/dbraw/zinc/59/37/29/384593729.db2.gz BZDCMVWKTMVAFF-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc(CN(CCO)C2CCCC2)cs1 ZINC000050106598 384593939 /nfs/dbraw/zinc/59/39/39/384593939.db2.gz MNQKRKXBJQZEBW-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN CCOC(=O)CCN(C)Cc1ccccc1F ZINC000042207296 384632301 /nfs/dbraw/zinc/63/23/01/384632301.db2.gz IWLLCIOUYCPXNJ-UHFFFAOYSA-N 0 1 239.290 2.211 20 0 BEADMN C[C@H](NC[C@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647280314 384663783 /nfs/dbraw/zinc/66/37/83/384663783.db2.gz FJCKROZSZIJCHQ-WCQYABFASA-N 0 1 249.358 2.049 20 0 BEADMN CCCC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184971566 384666056 /nfs/dbraw/zinc/66/60/56/384666056.db2.gz KGPHQEXAXXIYHI-UHFFFAOYSA-N 0 1 248.330 2.307 20 0 BEADMN CCc1nocc1CN1CCC(CF)CC1 ZINC000449456669 384667747 /nfs/dbraw/zinc/66/77/47/384667747.db2.gz MVIGBDGHIZSHTJ-UHFFFAOYSA-N 0 1 226.295 2.419 20 0 BEADMN C[C@@H](CO)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000124674126 384668408 /nfs/dbraw/zinc/66/84/08/384668408.db2.gz LQQDEGZQWFOFRW-VIFPVBQESA-N 0 1 245.269 2.101 20 0 BEADMN CCN(C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000082323393 384669245 /nfs/dbraw/zinc/66/92/45/384669245.db2.gz HRMRPCGWABDINO-CYBMUJFWSA-N 0 1 232.327 2.134 20 0 BEADMN CCOc1ccc(NC(=O)[C@H]2CCCN2C)cc1 ZINC000082326115 384669585 /nfs/dbraw/zinc/66/95/85/384669585.db2.gz ZEMKXKZNCUEPHA-CYBMUJFWSA-N 0 1 248.326 2.118 20 0 BEADMN CS[C@@H](C)CNC(=O)c1ccc(F)cc1O ZINC000162709096 384671471 /nfs/dbraw/zinc/67/14/71/384671471.db2.gz LUHIAKINKFVQRM-ZETCQYMHSA-N 0 1 243.303 2.013 20 0 BEADMN CS[C@H](C)CNC(=O)c1ccc(F)cc1O ZINC000162709224 384672178 /nfs/dbraw/zinc/67/21/78/384672178.db2.gz LUHIAKINKFVQRM-SSDOTTSWSA-N 0 1 243.303 2.013 20 0 BEADMN COC[C@@H](NCCOC(C)C)c1ccc(C)o1 ZINC000184662516 384634419 /nfs/dbraw/zinc/63/44/19/384634419.db2.gz WFBMMTLMWAMWTM-GFCCVEGCSA-N 0 1 241.331 2.290 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CCCSC ZINC000300899007 384642215 /nfs/dbraw/zinc/64/22/15/384642215.db2.gz CBYYDPLVYWHNAM-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN COC[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(C)o1 ZINC000647188914 384648052 /nfs/dbraw/zinc/64/80/52/384648052.db2.gz RBTATHUMXPGPNK-UTUOFQBUSA-N 0 1 239.315 2.043 20 0 BEADMN Cc1ccc2nc(C[NH2+][C@@H]3CO[C@@H](C)C3)[nH]c2c1 ZINC000647189028 384650875 /nfs/dbraw/zinc/65/08/75/384650875.db2.gz ZBZKOGCSAMPTAT-QWRGUYRKSA-N 0 1 245.326 2.138 20 0 BEADMN Cc1ccc2[nH]c(CN[C@@H]3CO[C@@H](C)C3)nc2c1 ZINC000647189028 384650878 /nfs/dbraw/zinc/65/08/78/384650878.db2.gz ZBZKOGCSAMPTAT-QWRGUYRKSA-N 0 1 245.326 2.138 20 0 BEADMN C1[C@@H]2CC[C@@H](c3nc([C@@H]4CCCN4)no3)C[C@H]12 ZINC000403399305 384652131 /nfs/dbraw/zinc/65/21/31/384652131.db2.gz SHWZMCGBPUXRHM-VLEAKVRGSA-N 0 1 233.315 2.398 20 0 BEADMN C[C@@H](CC(=O)N1CCNC[C@H]1C)c1ccccc1 ZINC000124833179 384680459 /nfs/dbraw/zinc/68/04/59/384680459.db2.gz BYGBLZQXPBYTAK-QWHCGFSZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H](N[C@@H]1CC12CC2)c1cc2n(n1)CCC2 ZINC000335249035 384680367 /nfs/dbraw/zinc/68/03/67/384680367.db2.gz MKKFXLZMQHZTCX-JOYOIKCWSA-N 0 1 217.316 2.032 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@@H](N)c1ccccc1 ZINC000398050382 384685777 /nfs/dbraw/zinc/68/57/77/384685777.db2.gz VXIPQAUHTKLZDO-FZMZJTMJSA-N 0 1 246.354 2.381 20 0 BEADMN CN(CCC1CC1)CC(=O)Nc1ccccc1 ZINC000173486379 384686160 /nfs/dbraw/zinc/68/61/60/384686160.db2.gz IKZXJFMPYHEWKU-UHFFFAOYSA-N 0 1 232.327 2.357 20 0 BEADMN CCc1ccc(CNCCOC(F)(F)F)o1 ZINC000309650907 384689779 /nfs/dbraw/zinc/68/97/79/384689779.db2.gz OBOZMRVHCDAHPO-UHFFFAOYSA-N 0 1 237.221 2.468 20 0 BEADMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000162823816 384692912 /nfs/dbraw/zinc/69/29/12/384692912.db2.gz PTYRXTVLEXXRBU-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000162823816 384692921 /nfs/dbraw/zinc/69/29/21/384692921.db2.gz PTYRXTVLEXXRBU-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@H](C2CC2)C1 ZINC000336538929 384697387 /nfs/dbraw/zinc/69/73/87/384697387.db2.gz AMSALZHAYYTOIR-JTQLQIEISA-N 0 1 249.285 2.403 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1nccn1C(F)F ZINC000309918249 384715570 /nfs/dbraw/zinc/71/55/70/384715570.db2.gz QPXRRQBEYBCSPN-HTQZYQBOSA-N 0 1 247.314 2.262 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2nccs2)C1(C)C ZINC000082784204 384715944 /nfs/dbraw/zinc/71/59/44/384715944.db2.gz FHKLLPBEEGHMDR-VHSXEESVSA-N 0 1 240.372 2.436 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)[C@H]2CC)n[nH]1 ZINC000185404936 384718334 /nfs/dbraw/zinc/71/83/34/384718334.db2.gz PIQJYHWABYAXQW-JOYOIKCWSA-N 0 1 235.331 2.233 20 0 BEADMN CC(C)n1ccnc1CN1CCC[C@@H]1C ZINC000173982000 384742694 /nfs/dbraw/zinc/74/26/94/384742694.db2.gz GIPQGORDZWEPPI-NSHDSACASA-N 0 1 207.321 2.448 20 0 BEADMN C[C@@H](N[C@@H](C)Cn1cccn1)c1nccs1 ZINC000083142990 384746090 /nfs/dbraw/zinc/74/60/90/384746090.db2.gz YOTZFVHRBNYBJT-VHSXEESVSA-N 0 1 236.344 2.079 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000358174724 384746864 /nfs/dbraw/zinc/74/68/64/384746864.db2.gz YWCBOARJHPDARY-MNOVXSKESA-N 0 1 249.358 2.065 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000300964520 384750352 /nfs/dbraw/zinc/75/03/52/384750352.db2.gz RKOORENGTHLEDW-GHMZBOCLSA-N 0 1 245.388 2.171 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881467 384753784 /nfs/dbraw/zinc/75/37/84/384753784.db2.gz HTSJNXFUAGVCTF-DOMZBBRYSA-N 0 1 248.370 2.365 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nn2)[C@@H]2CCCC[C@@H]12 ZINC000536379080 384755225 /nfs/dbraw/zinc/75/52/25/384755225.db2.gz SHOMAIWLNPCBNO-KWCYVHTRSA-N 0 1 248.374 2.216 20 0 BEADMN CCCCCNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000083361194 384765431 /nfs/dbraw/zinc/76/54/31/384765431.db2.gz FVLLOWHNDAFADX-CYBMUJFWSA-N 0 1 234.343 2.301 20 0 BEADMN CCC[C@@H](NCC[NH+](C)C)c1ccccn1 ZINC000309723334 384767535 /nfs/dbraw/zinc/76/75/35/384767535.db2.gz WXZXYJYWXAXNHV-GFCCVEGCSA-N 0 1 221.348 2.074 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000186188221 384828827 /nfs/dbraw/zinc/82/88/27/384828827.db2.gz LBGSHAVWJYOEEL-ZDUSSCGKSA-N 0 1 239.290 2.142 20 0 BEADMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000647369267 384834608 /nfs/dbraw/zinc/83/46/08/384834608.db2.gz VDNXQXYDKRXOHY-QWRGUYRKSA-N 0 1 225.332 2.219 20 0 BEADMN Cn1cccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000334747516 384787556 /nfs/dbraw/zinc/78/75/56/384787556.db2.gz AFSJNTXPQBMFRW-UHFFFAOYSA-N 0 1 234.343 2.028 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000083662591 384788966 /nfs/dbraw/zinc/78/89/66/384788966.db2.gz WSFWABHNSYJQAC-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCc1cccc(C[N@@H+](CC)CC(=O)[O-])c1 ZINC000518201073 384792128 /nfs/dbraw/zinc/79/21/28/384792128.db2.gz RHVQNPXICHOOFG-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000174455412 384794683 /nfs/dbraw/zinc/79/46/83/384794683.db2.gz CBQZVMLVHPSURX-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN CCc1ccc([C@@H](COC)NCc2cnc[nH]2)o1 ZINC000174481278 384797671 /nfs/dbraw/zinc/79/76/71/384797671.db2.gz VQDBNTNSWZHIAM-GFCCVEGCSA-N 0 1 249.314 2.042 20 0 BEADMN COC[C@@H](N[C@H](C)c1nccs1)C1CC1 ZINC000087480863 384797705 /nfs/dbraw/zinc/79/77/05/384797705.db2.gz FNTRBSSFRHMZJX-PSASIEDQSA-N 0 1 226.345 2.219 20 0 BEADMN CC[C@H](F)CN[C@H](C)c1ccnc(OC)c1 ZINC000310039633 384808944 /nfs/dbraw/zinc/80/89/44/384808944.db2.gz XECNJUCKUNFIJR-KOLCDFICSA-N 0 1 226.295 2.489 20 0 BEADMN C[N@H+](Cc1ccncc1)C[C@@H]1CCCC[C@@H]1O ZINC000053883848 384809626 /nfs/dbraw/zinc/80/96/26/384809626.db2.gz WGFXCBSSFURBPI-KBPBESRZSA-N 0 1 234.343 2.065 20 0 BEADMN C[N@H+](Cc1ccco1)C[C@@H]1CCCC[C@@H]1O ZINC000053883212 384812247 /nfs/dbraw/zinc/81/22/47/384812247.db2.gz NRBDAOOWXAFHMN-AAEUAGOBSA-N 0 1 223.316 2.263 20 0 BEADMN CC[C@](C)(NCc1ccccc1Cl)C(N)=O ZINC000177128545 384877763 /nfs/dbraw/zinc/87/77/63/384877763.db2.gz JZNZUWFGDMBGOS-LBPRGKRZSA-N 0 1 240.734 2.084 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@H](CO)CC2)nc1 ZINC000339752288 384882761 /nfs/dbraw/zinc/88/27/61/384882761.db2.gz WTHGDCMIUPXKSL-AWEZNQCLSA-N 0 1 248.370 2.238 20 0 BEADMN COC(=O)c1ccc(CN2C[C@H]3CCCC[C@H]32)o1 ZINC000368082653 384883463 /nfs/dbraw/zinc/88/34/63/384883463.db2.gz YBJDXFJZZJUWDK-ZYHUDNBSSA-N 0 1 249.310 2.441 20 0 BEADMN CC[C@@H](C)[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000104688007 384839935 /nfs/dbraw/zinc/83/99/35/384839935.db2.gz ALOBVPHIPXBBKK-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1ccccc1Cl ZINC000174818364 384840882 /nfs/dbraw/zinc/84/08/82/384840882.db2.gz PTSAGDXZNPOYSZ-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN C/C=C/C[C@@H](CO)N[C@H](C)c1nccs1 ZINC000186522285 384851811 /nfs/dbraw/zinc/85/18/11/384851811.db2.gz LOSCMDRKHIXFSP-OKWQPMOJSA-N 0 1 226.345 2.121 20 0 BEADMN Cc1noc([C@H](C)NCCCCCF)n1 ZINC000336756505 384853570 /nfs/dbraw/zinc/85/35/70/384853570.db2.gz JLLGVUAFBYLMDK-QMMMGPOBSA-N 0 1 215.272 2.168 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2C[C@H]2C)s1 ZINC000308600610 384856434 /nfs/dbraw/zinc/85/64/34/384856434.db2.gz APHBVVDDKMCGCK-FJXKBIBVSA-N 0 1 211.334 2.153 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(C)C[C@@H]1CC ZINC000561616787 384856633 /nfs/dbraw/zinc/85/66/33/384856633.db2.gz SOZAARIZPIWILH-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1cc(F)ccc1F ZINC000336098055 384889307 /nfs/dbraw/zinc/88/93/07/384889307.db2.gz SGRDZECILZRTGQ-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccc(Cl)cn2)CO1 ZINC000647199139 384868689 /nfs/dbraw/zinc/86/86/89/384868689.db2.gz OMRLIGSLAXVOME-GZMMTYOYSA-N 0 1 226.707 2.002 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1cc(F)ccc1F ZINC000336098057 384890452 /nfs/dbraw/zinc/89/04/52/384890452.db2.gz SGRDZECILZRTGQ-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1nnc([C@H](C)NCC[C@@H](C)F)s1 ZINC000308663059 384900252 /nfs/dbraw/zinc/90/02/52/384900252.db2.gz RBXUQMXKEANAKW-RQJHMYQMSA-N 0 1 217.313 2.245 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CCc1ccc(Cl)cc1 ZINC000049830809 384903043 /nfs/dbraw/zinc/90/30/43/384903043.db2.gz GEMCNYGLBCIDFE-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635765692 384906391 /nfs/dbraw/zinc/90/63/91/384906391.db2.gz SOQMPKJYCLLFQP-WRWGMCAJSA-N 0 1 247.342 2.303 20 0 BEADMN FC1(F)CC(CN2CCO[C@H](C3CC3)C2)C1 ZINC000336267993 384908820 /nfs/dbraw/zinc/90/88/20/384908820.db2.gz JYVFXJKNEOIGFV-NSHDSACASA-N 0 1 231.286 2.143 20 0 BEADMN C[C@H](O)CN(C)Cc1ccc(F)cc1Cl ZINC000051821650 384917316 /nfs/dbraw/zinc/91/73/16/384917316.db2.gz QKKGNPZGNJUCGB-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@H]1C[C@@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000449474262 384917618 /nfs/dbraw/zinc/91/76/18/384917618.db2.gz UJUKZGFTTYUOIO-JGVFFNPUSA-N 0 1 245.248 2.241 20 0 BEADMN Cc1nocc1CN1CC(C(C)(C)C)C1 ZINC000334785260 384918158 /nfs/dbraw/zinc/91/81/58/384918158.db2.gz CEIFJNNTLAOERB-UHFFFAOYSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1csc(CNC[C@@H](O)CCC(C)C)n1 ZINC000644516189 384929397 /nfs/dbraw/zinc/92/93/97/384929397.db2.gz LCINNHXMZOWQDO-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN Cc1cnc(CN[C@H]2CC23CCCC3)n1C ZINC000336679168 384959689 /nfs/dbraw/zinc/95/96/89/384959689.db2.gz CLQHEODMCMYXHE-NSHDSACASA-N 0 1 219.332 2.151 20 0 BEADMN CCOc1ccccc1CN(C)[C@H]1CCOC1 ZINC000106884897 384941664 /nfs/dbraw/zinc/94/16/64/384941664.db2.gz HHBMIPUBOHTNRU-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1ccsc1CNCc1ccc(CO)o1 ZINC000085444800 384944471 /nfs/dbraw/zinc/94/44/71/384944471.db2.gz SCQYHPNFFSRVOY-UHFFFAOYSA-N 0 1 237.324 2.432 20 0 BEADMN CCC(CC)NC(=O)CN1CCC(C)(C)C1 ZINC000557448178 384947249 /nfs/dbraw/zinc/94/72/49/384947249.db2.gz CVOZEADQRNIICU-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CC[C@H](O)CNCc1cscn1 ZINC000644532768 384948560 /nfs/dbraw/zinc/94/85/60/384948560.db2.gz NKIKVPXPOPFABM-NSHDSACASA-N 0 1 228.361 2.030 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000062133320 384968636 /nfs/dbraw/zinc/96/86/36/384968636.db2.gz JVQTXIUTWVHPMX-CYBMUJFWSA-N 0 1 233.311 2.156 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000260134487 384971513 /nfs/dbraw/zinc/97/15/13/384971513.db2.gz QEEVNXSGXYVTOI-NSHDSACASA-N 0 1 247.338 2.470 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1Cc1ncnn1C ZINC000177349554 384972539 /nfs/dbraw/zinc/97/25/39/384972539.db2.gz NBTYAGJMVCHQLC-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN CSC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000187748420 384981013 /nfs/dbraw/zinc/98/10/13/384981013.db2.gz LZMHKEQNIGECDR-AAEUAGOBSA-N 0 1 239.384 2.403 20 0 BEADMN C[C@@]1(O)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000128045358 384986078 /nfs/dbraw/zinc/98/60/78/384986078.db2.gz PRAOXCFDPCVRKG-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1csc([C@@H](C)NC[C@@H](O)C(C)C)n1 ZINC000300844872 384997491 /nfs/dbraw/zinc/99/74/91/384997491.db2.gz FXUICEBUKAVCGQ-NXEZZACHSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc(CNCC[C@@H](C)F)cs1 ZINC000339493586 385005880 /nfs/dbraw/zinc/00/58/80/385005880.db2.gz IURYGOMATVKUGJ-SSDOTTSWSA-N 0 1 202.298 2.289 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@H]2C)[nH]1 ZINC000336307783 385013705 /nfs/dbraw/zinc/01/37/05/385013705.db2.gz CICSDEYTXPFICL-VHSXEESVSA-N 0 1 222.336 2.124 20 0 BEADMN c1nc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000176253473 385049184 /nfs/dbraw/zinc/04/91/84/385049184.db2.gz CSRPOZPXTLTVAC-NXEZZACHSA-N 0 1 208.330 2.375 20 0 BEADMN Cc1ccncc1CNCc1ccoc1 ZINC000130633306 385052499 /nfs/dbraw/zinc/05/24/99/385052499.db2.gz GZIMEFGOFOVDKC-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC1CC1 ZINC000647462965 385052701 /nfs/dbraw/zinc/05/27/01/385052701.db2.gz HQUDETWLZJYYRN-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CCCC1CC1 ZINC000647462965 385052709 /nfs/dbraw/zinc/05/27/09/385052709.db2.gz HQUDETWLZJYYRN-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CS[C@H](C)CN[C@@H](C)c1cc(C)on1 ZINC000279166944 385064448 /nfs/dbraw/zinc/06/44/48/385064448.db2.gz CBOLZCPMOQYXOQ-BDAKNGLRSA-N 0 1 214.334 2.385 20 0 BEADMN CC[C@H](CC(=O)N[C@H](C)c1nnc[nH]1)C(C)C ZINC000176206704 385039558 /nfs/dbraw/zinc/03/95/58/385039558.db2.gz JHYNMYGKLIEXTP-NXEZZACHSA-N 0 1 238.335 2.054 20 0 BEADMN CCN(CCCO)Cc1cc(F)ccc1F ZINC000128484254 385041009 /nfs/dbraw/zinc/04/10/09/385041009.db2.gz BJBSSFQLTVTLHJ-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN Cc1ccc(CN2CC[C@@](F)(CO)C2)c(C)c1 ZINC000334145822 385044075 /nfs/dbraw/zinc/04/40/75/385044075.db2.gz ZUWSFGWGBMLSMP-AWEZNQCLSA-N 0 1 237.318 2.210 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000086756423 385044310 /nfs/dbraw/zinc/04/43/10/385044310.db2.gz GLANRPJTJYNDDV-SECBINFHSA-N 0 1 233.267 2.338 20 0 BEADMN CCc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000086726130 385046098 /nfs/dbraw/zinc/04/60/98/385046098.db2.gz FPDFOMXYPRIHMZ-CYBMUJFWSA-N 0 1 233.311 2.298 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1csc(C)n1 ZINC000647244062 385046477 /nfs/dbraw/zinc/04/64/77/385046477.db2.gz TXVZNKPWFIILJQ-GXSJLCMTSA-N 0 1 242.388 2.338 20 0 BEADMN CCc1nc(CN[C@H]2CC23CC3)cs1 ZINC000424181311 385109058 /nfs/dbraw/zinc/10/90/58/385109058.db2.gz BWOXTAQOJGMOIK-VIFPVBQESA-N 0 1 208.330 2.348 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000188976262 385111858 /nfs/dbraw/zinc/11/18/58/385111858.db2.gz KQPUZUFCGFPKOH-MRVPVSSYSA-N 0 1 232.287 2.333 20 0 BEADMN CC(C)(C)NC(=O)CNC/C=C\c1ccccc1 ZINC000310568512 385120697 /nfs/dbraw/zinc/12/06/97/385120697.db2.gz VTPIVZAQRUQSBH-YFHOEESVSA-N 0 1 246.354 2.204 20 0 BEADMN CCc1cc(C(=O)N(CC)C[C@H](C)CC)n[nH]1 ZINC000176624873 385121635 /nfs/dbraw/zinc/12/16/35/385121635.db2.gz JQGUCYHNFBHTNE-SNVBAGLBSA-N 0 1 237.347 2.480 20 0 BEADMN c1ccc(COCCNCc2ccccn2)cc1 ZINC000053543617 385130617 /nfs/dbraw/zinc/13/06/17/385130617.db2.gz WKJYZQPKYUYBEJ-UHFFFAOYSA-N 0 1 242.322 2.388 20 0 BEADMN C[C@H](O)CNCc1nc(-c2ccccc2)cs1 ZINC000061680831 385132109 /nfs/dbraw/zinc/13/21/09/385132109.db2.gz XUOKVYCXCOUHOG-JTQLQIEISA-N 0 1 248.351 2.281 20 0 BEADMN Cc1cnc([C@H](C)NCc2[nH]ncc2C)s1 ZINC000289669875 385140326 /nfs/dbraw/zinc/14/03/26/385140326.db2.gz ZMTGIQXFJZUVPW-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cnc([C@H](C)N2CCCOC(C)(C)C2)cn1 ZINC000644668588 385085351 /nfs/dbraw/zinc/08/53/51/385085351.db2.gz BFXLSTVZWMWWLR-LBPRGKRZSA-N 0 1 249.358 2.347 20 0 BEADMN CCc1nc(C)c(CN(C)C2(COC)CC2)o1 ZINC000644680018 385094302 /nfs/dbraw/zinc/09/43/02/385094302.db2.gz LVYKJQPIYGBBQU-UHFFFAOYSA-N 0 1 238.331 2.156 20 0 BEADMN c1[nH]nnc1CCSc1nc2ccccc2o1 ZINC000559629081 385094682 /nfs/dbraw/zinc/09/46/82/385094682.db2.gz FYJDBZVDIWMITC-UHFFFAOYSA-N 0 1 246.295 2.281 20 0 BEADMN CCc1ccccc1CN1CCCC[C@@H]1C(N)=O ZINC000188818987 385095859 /nfs/dbraw/zinc/09/58/59/385095859.db2.gz XWVYEJFVUCNAIK-CQSZACIVSA-N 0 1 246.354 2.089 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC(C2CC2)C1 ZINC000644684870 385095918 /nfs/dbraw/zinc/09/59/18/385095918.db2.gz WLSAJTYMZUJGNH-UHFFFAOYSA-N 0 1 241.294 2.045 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](C)CC2)[nH]n1 ZINC000188921074 385104315 /nfs/dbraw/zinc/10/43/15/385104315.db2.gz JJKFPZVAENSFIP-ZYHUDNBSSA-N 0 1 249.358 2.346 20 0 BEADMN C(N[C@@H]1CC12CC2)c1nc2c(s1)CCC2 ZINC000643800282 385104700 /nfs/dbraw/zinc/10/47/00/385104700.db2.gz MRDJREZJLQQMDR-SNVBAGLBSA-N 0 1 220.341 2.274 20 0 BEADMN CCc1ccc([C@H](COC)N[C@@H](C)COC)o1 ZINC000165319136 385105332 /nfs/dbraw/zinc/10/53/32/385105332.db2.gz UGLMRBJBKXDNNY-JQWIXIFHSA-N 0 1 241.331 2.154 20 0 BEADMN CCc1nc(C)c(CN[C@]2(CC)CCOC2)o1 ZINC000644688379 385107468 /nfs/dbraw/zinc/10/74/68/385107468.db2.gz XVZQDRKCQBESSG-CYBMUJFWSA-N 0 1 238.331 2.204 20 0 BEADMN CO[C@](C)(CNCc1ncc[nH]1)c1ccccc1 ZINC000449483487 385181210 /nfs/dbraw/zinc/18/12/10/385181210.db2.gz IVCKXYMWUVXTDF-CQSZACIVSA-N 0 1 245.326 2.061 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2CCCOC2)Cc2ccccc2O1 ZINC000644784612 385181395 /nfs/dbraw/zinc/18/13/95/385181395.db2.gz JAIGLFUCDCZNJX-TZMCWYRMSA-N 0 1 247.338 2.449 20 0 BEADMN c1snnc1CNc1ccc2c(n1)CCC2 ZINC000294771179 385186880 /nfs/dbraw/zinc/18/68/80/385186880.db2.gz FZPWDWVESNQURI-UHFFFAOYSA-N 0 1 232.312 2.034 20 0 BEADMN Cc1ccc(CNC[C@H](O)c2ccsc2)o1 ZINC000152534929 385191382 /nfs/dbraw/zinc/19/13/82/385191382.db2.gz WPQPXQRBONOWSZ-LBPRGKRZSA-N 0 1 237.324 2.473 20 0 BEADMN CC(C)N1CCN(C(=O)CCCC2CC2)CC1 ZINC000643146568 385198665 /nfs/dbraw/zinc/19/86/65/385198665.db2.gz MWGORHKCSKCTFZ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccncc1 ZINC000062999340 385199191 /nfs/dbraw/zinc/19/91/91/385199191.db2.gz MGUBPBZNDHKBPF-IUODEOHRSA-N 0 1 242.322 2.466 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@H]2C(C)C)n1 ZINC000424304767 385143351 /nfs/dbraw/zinc/14/33/51/385143351.db2.gz BVWDGZMIUWMUDS-QWRGUYRKSA-N 0 1 235.331 2.009 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1 ZINC000294625657 385146824 /nfs/dbraw/zinc/14/68/24/385146824.db2.gz HHFRVFPXBJUGFZ-PWSUYJOCSA-N 0 1 247.342 2.369 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1 ZINC000294625646 385147486 /nfs/dbraw/zinc/14/74/86/385147486.db2.gz HHFRVFPXBJUGFZ-CMPLNLGQSA-N 0 1 247.342 2.369 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000129905090 385200546 /nfs/dbraw/zinc/20/05/46/385200546.db2.gz OJTZBAXSQLUDEW-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000189534391 385162180 /nfs/dbraw/zinc/16/21/80/385162180.db2.gz YMUWGFUPUFXBIF-NXEZZACHSA-N 0 1 237.347 2.202 20 0 BEADMN Cn1cccc1[C@@H]1CCCN1Cc1cncn1C ZINC000176989070 385163997 /nfs/dbraw/zinc/16/39/97/385163997.db2.gz QNQRGRBHFQRTGN-AWEZNQCLSA-N 0 1 244.342 2.096 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@H]2CCC[C@@H]2C1 ZINC000176986378 385166608 /nfs/dbraw/zinc/16/66/08/385166608.db2.gz IBDHDNUATKWJIM-GHMZBOCLSA-N 0 1 245.326 2.159 20 0 BEADMN CCCCN(CC)[C@@H](C)C(=O)OCC ZINC000043638486 385170904 /nfs/dbraw/zinc/17/09/04/385170904.db2.gz LHHVRWAJVVYKOZ-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C(C)C)C(F)(F)F ZINC000309357786 385175559 /nfs/dbraw/zinc/17/55/59/385175559.db2.gz OEYZKYRBXOEWKB-VIFPVBQESA-N 0 1 235.253 2.395 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2CCCOC2)Cc2ccccc2O1 ZINC000644784609 385179930 /nfs/dbraw/zinc/17/99/30/385179930.db2.gz JAIGLFUCDCZNJX-OCCSQVGLSA-N 0 1 247.338 2.449 20 0 BEADMN Cc1ccc([C@@H](C)NCc2cnnn2C)s1 ZINC000129726754 385180612 /nfs/dbraw/zinc/18/06/12/385180612.db2.gz AKGHATSHYNWOQU-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN CC[C@]1(C)CN(CCc2cccnc2)CCO1 ZINC000190087220 385209914 /nfs/dbraw/zinc/20/99/14/385209914.db2.gz MXCQWUGFEHWFLK-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)NCc1cc(C)[nH]n1 ZINC000648329791 385215400 /nfs/dbraw/zinc/21/54/00/385215400.db2.gz ZAWKERJDIXZDBM-JQWIXIFHSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC000648329680 385216897 /nfs/dbraw/zinc/21/68/97/385216897.db2.gz BPRONVIXCNJOJR-HOSYDEDBSA-N 0 1 249.358 2.407 20 0 BEADMN Clc1sccc1CNCCn1cccn1 ZINC000308859700 385221592 /nfs/dbraw/zinc/22/15/92/385221592.db2.gz ZARWCMYVYGNRPT-UHFFFAOYSA-N 0 1 241.747 2.388 20 0 BEADMN CC[C@]1(CO)CCCN(Cc2cncs2)C1 ZINC000190227794 385221908 /nfs/dbraw/zinc/22/19/08/385221908.db2.gz AKGVHVUFNPUYOT-LBPRGKRZSA-N 0 1 240.372 2.128 20 0 BEADMN Cc1noc(CN2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000127559040 385256960 /nfs/dbraw/zinc/25/69/60/385256960.db2.gz UFHQMRWXIBDMKK-ZJUUUORDSA-N 0 1 223.320 2.246 20 0 BEADMN CC(C)c1noc([C@H](C)Sc2c[nH]nn2)n1 ZINC000177373928 385231853 /nfs/dbraw/zinc/23/18/53/385231853.db2.gz FWBVKUBAAPNLGA-LURJTMIESA-N 0 1 239.304 2.164 20 0 BEADMN Cc1nnc(NC(=O)c2cccc(Cl)c2)[nH]1 ZINC000082284865 385235327 /nfs/dbraw/zinc/23/53/27/385235327.db2.gz CXJCYZXJTKXUJQ-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cccc(Cl)c2)n1 ZINC000082284865 385235336 /nfs/dbraw/zinc/23/53/36/385235336.db2.gz CXJCYZXJTKXUJQ-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN FC1(F)CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000308875609 385242653 /nfs/dbraw/zinc/24/26/53/385242653.db2.gz NCXKGRUUGQZHCC-MRVPVSSYSA-N 0 1 215.247 2.077 20 0 BEADMN Cn1cnc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000313046900 385242920 /nfs/dbraw/zinc/24/29/20/385242920.db2.gz PDZRQAAGOYGMCD-GFCCVEGCSA-N 0 1 248.374 2.408 20 0 BEADMN Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000335779163 385244453 /nfs/dbraw/zinc/24/44/53/385244453.db2.gz QDPUZAXUHUPFBO-PWSUYJOCSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CNCCc2ccccn2)s1 ZINC000294823255 385244922 /nfs/dbraw/zinc/24/49/22/385244922.db2.gz ROSBKROYGFAYNA-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN Cc1nocc1CNc1ccc2c(n1)CCC2 ZINC000294841266 385254858 /nfs/dbraw/zinc/25/48/58/385254858.db2.gz MLTYJLPDFPSSCV-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN Cc1nc(CN[C@@H](CO)C2CCCC2)cs1 ZINC000289706426 385255056 /nfs/dbraw/zinc/25/50/56/385255056.db2.gz YHPOFQDHVCKGOO-LBPRGKRZSA-N 0 1 240.372 2.092 20 0 BEADMN Cc1ccnc(NCC[C@@H](C)CCO)c1 ZINC000294899333 385304178 /nfs/dbraw/zinc/30/41/78/385304178.db2.gz IBHMFBWXHKSLFR-SNVBAGLBSA-N 0 1 208.305 2.211 20 0 BEADMN COC[C@@H](CNCc1ccsc1Cl)OC ZINC000308937459 385304883 /nfs/dbraw/zinc/30/48/83/385304883.db2.gz LFUZCVNQGXUVSX-SECBINFHSA-N 0 1 249.763 2.153 20 0 BEADMN Cn1nccc1C[N@@H+](C)CCCc1ccccc1 ZINC000154248643 385313123 /nfs/dbraw/zinc/31/31/23/385313123.db2.gz YDBXGVMVNLUOGQ-UHFFFAOYSA-N 0 1 243.354 2.485 20 0 BEADMN CC[C@H](O)CCCNCc1ncc(Cl)s1 ZINC000308966658 385318230 /nfs/dbraw/zinc/31/82/30/385318230.db2.gz WFVVTBIQGFGLJR-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1csc(CNc2ncnc3[nH]cnc32)c1 ZINC000344634380 385286800 /nfs/dbraw/zinc/28/68/00/385286800.db2.gz SXUJMADBAIKYBC-UHFFFAOYSA-N 0 1 245.311 2.287 20 0 BEADMN Cc1cc(C)c(CN(C)CC(=O)N(C)C)c(C)c1 ZINC000064950338 385291625 /nfs/dbraw/zinc/29/16/25/385291625.db2.gz AIZBFMBCMQXXFB-UHFFFAOYSA-N 0 1 248.370 2.132 20 0 BEADMN CC[C@H](COC)NCc1cn2c(cccc2C)n1 ZINC000178061917 385329976 /nfs/dbraw/zinc/32/99/76/385329976.db2.gz OJXWCLKLJLPMCB-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN CCCO[C@@H]1CCCN(Cc2ccon2)CC1 ZINC000158050257 385331554 /nfs/dbraw/zinc/33/15/54/385331554.db2.gz XRARKESFESMLIT-CYBMUJFWSA-N 0 1 238.331 2.456 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@@H]2CC2(C)C)cc1 ZINC000228087067 385331856 /nfs/dbraw/zinc/33/18/56/385331856.db2.gz YZTCYPTTWZQPAZ-QWHCGFSZSA-N 0 1 246.354 2.157 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@H]2CC2(C)C)cc1 ZINC000228087097 385334996 /nfs/dbraw/zinc/33/49/96/385334996.db2.gz YZTCYPTTWZQPAZ-OLZOCXBDSA-N 0 1 246.354 2.157 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1cocn1)C1CC1 ZINC000191929101 385335219 /nfs/dbraw/zinc/33/52/19/385335219.db2.gz YCSJYRJVYGHGBJ-SECBINFHSA-N 0 1 206.289 2.438 20 0 BEADMN C[C@H](C1CC1)N(Cc1cocn1)C1CC1 ZINC000191929101 385335221 /nfs/dbraw/zinc/33/52/21/385335221.db2.gz YCSJYRJVYGHGBJ-SECBINFHSA-N 0 1 206.289 2.438 20 0 BEADMN CCN(CC)c1ncc(CNCCF)s1 ZINC000280675496 385350762 /nfs/dbraw/zinc/35/07/62/385350762.db2.gz MQUHSWRUQCUPJS-UHFFFAOYSA-N 0 1 231.340 2.048 20 0 BEADMN CSC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000294169840 385351907 /nfs/dbraw/zinc/35/19/07/385351907.db2.gz RHWJIFXFMPTKHX-AEJSXWLSSA-N 0 1 225.361 2.230 20 0 BEADMN Cc1csc([C@H](N[C@H]2CCOC2)C2CC2)n1 ZINC000168314729 385351953 /nfs/dbraw/zinc/35/19/53/385351953.db2.gz FTHOBLNDRCHFNB-WDEREUQCSA-N 0 1 238.356 2.281 20 0 BEADMN Cc1csc([C@@H](N[C@H]2CCOC2)C2CC2)n1 ZINC000168314828 385352081 /nfs/dbraw/zinc/35/20/81/385352081.db2.gz FTHOBLNDRCHFNB-QWRGUYRKSA-N 0 1 238.356 2.281 20 0 BEADMN Cc1noc(C)c1[C@H](C)CNCc1cocn1 ZINC000192335729 385353317 /nfs/dbraw/zinc/35/33/17/385353317.db2.gz KJUHSSVHIJWEPO-MRVPVSSYSA-N 0 1 235.287 2.173 20 0 BEADMN CC[C@@H](NCCc1cnccn1)c1nccs1 ZINC000402860508 385361834 /nfs/dbraw/zinc/36/18/34/385361834.db2.gz XMAWNKNATVOSFA-LLVKDONJSA-N 0 1 248.355 2.217 20 0 BEADMN CC(C)OCCN1CCOC2(CCCC2)C1 ZINC000158219706 385366749 /nfs/dbraw/zinc/36/67/49/385366749.db2.gz QVTRRBYESKWRFM-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CC(C)CN(Cc1nc(N(C)C)no1)C(C)C ZINC000192697458 385367251 /nfs/dbraw/zinc/36/72/51/385367251.db2.gz XXODJRNZXDXHFU-UHFFFAOYSA-N 0 1 240.351 2.002 20 0 BEADMN CC/C=C(\C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000178411442 385368388 /nfs/dbraw/zinc/36/83/88/385368388.db2.gz GNXHDEOTCZLUAZ-OLKPEBQYSA-N 0 1 235.331 2.122 20 0 BEADMN COCCCCCN[C@@H](C)c1ccon1 ZINC000309039946 385376351 /nfs/dbraw/zinc/37/63/51/385376351.db2.gz KOWMHAWVYOEAGG-JTQLQIEISA-N 0 1 212.293 2.142 20 0 BEADMN c1n[nH]nc1CN[C@@H](c1ccccc1)C1CC1 ZINC000295025467 385385514 /nfs/dbraw/zinc/38/55/14/385385514.db2.gz RCJHNSLTKTUJKK-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN c1n[nH]nc1CN[C@H](c1ccccc1)C1CC1 ZINC000295025465 385386792 /nfs/dbraw/zinc/38/67/92/385386792.db2.gz RCJHNSLTKTUJKK-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)C2CCC2)n1 ZINC000308971390 385327575 /nfs/dbraw/zinc/32/75/75/385327575.db2.gz ZQSPRIWXHLJLDW-YUMQZZPRSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@H](F)CN[C@H](CO)c1ccccc1 ZINC000308971499 385328087 /nfs/dbraw/zinc/32/80/87/385328087.db2.gz ZVCPCEZIUALRJR-NWDGAFQWSA-N 0 1 211.280 2.058 20 0 BEADMN CC[C@H](F)CN[C@@H](CO)c1ccccc1 ZINC000308971500 385328557 /nfs/dbraw/zinc/32/85/57/385328557.db2.gz ZVCPCEZIUALRJR-RYUDHWBXSA-N 0 1 211.280 2.058 20 0 BEADMN Cc1ccc(CCSc2cn[nH]n2)cc1 ZINC000155986747 385426655 /nfs/dbraw/zinc/42/66/55/385426655.db2.gz XPFPEUFYGGQLSO-UHFFFAOYSA-N 0 1 219.313 2.448 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000193329432 385392890 /nfs/dbraw/zinc/39/28/90/385392890.db2.gz QOOTWIFGZBGBHM-RYUDHWBXSA-N 0 1 249.358 2.427 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155508903 385393609 /nfs/dbraw/zinc/39/36/09/385393609.db2.gz IPWKFXSUQGUKEX-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408011535 385397775 /nfs/dbraw/zinc/39/77/75/385397775.db2.gz XQYOYBNBOPVYNN-VHSXEESVSA-N 0 1 239.319 2.001 20 0 BEADMN CC[C@H](CNCc1c(F)cccc1F)OC ZINC000289416598 385401327 /nfs/dbraw/zinc/40/13/27/385401327.db2.gz AVZXCRKXPXZAEA-SECBINFHSA-N 0 1 229.270 2.479 20 0 BEADMN CC[N@@H+](CCN[C@@H](C)c1cncs1)C1CC1 ZINC000155843322 385416378 /nfs/dbraw/zinc/41/63/78/385416378.db2.gz LDVSQYLKMVUWRR-JTQLQIEISA-N 0 1 239.388 2.278 20 0 BEADMN COC(=O)CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000364407753 385422938 /nfs/dbraw/zinc/42/29/38/385422938.db2.gz WGJNSSWWSHHQGP-HNNXBMFYSA-N 0 1 247.338 2.213 20 0 BEADMN CS[C@H]1CCCCN(Cc2nccn2C)C1 ZINC000179108525 385441994 /nfs/dbraw/zinc/44/19/94/385441994.db2.gz MWVVTFHQFDERIO-NSHDSACASA-N 0 1 239.388 2.138 20 0 BEADMN COc1nccnc1CN1CCCCC[C@@H]1C ZINC000449036277 385444012 /nfs/dbraw/zinc/44/40/12/385444012.db2.gz SOGCSNHULJCXFI-NSHDSACASA-N 0 1 235.331 2.250 20 0 BEADMN COCc1cccc(CN2CCSCC2)c1 ZINC000179197165 385450471 /nfs/dbraw/zinc/45/04/71/385450471.db2.gz JQYLOFIDNQYDQJ-UHFFFAOYSA-N 0 1 237.368 2.382 20 0 BEADMN C[C@H](NCc1cccc(CO)c1)c1ccccn1 ZINC000179470703 385467388 /nfs/dbraw/zinc/46/73/88/385467388.db2.gz JIQMDJHFLYUTDT-LBPRGKRZSA-N 0 1 242.322 2.425 20 0 BEADMN CCC[C@H](C(=O)N[C@H](C)c1nnc[nH]1)C(C)C ZINC000179487428 385469425 /nfs/dbraw/zinc/46/94/25/385469425.db2.gz ZRZLEBQACUPADH-ZJUUUORDSA-N 0 1 238.335 2.054 20 0 BEADMN Nc1c(F)cccc1CN1CC=CCC1 ZINC000166112215 385469487 /nfs/dbraw/zinc/46/94/87/385469487.db2.gz OGZSAGMZBJTGLA-UHFFFAOYSA-N 0 1 206.264 2.170 20 0 BEADMN C[C@H](NCC1(C)OCCO1)c1ccccc1F ZINC000179574125 385473467 /nfs/dbraw/zinc/47/34/67/385473467.db2.gz NZMFRCPSUHELIS-JTQLQIEISA-N 0 1 239.290 2.239 20 0 BEADMN CC[C@H](CC(=O)NCc1cn[nH]c1C)C(C)C ZINC000171468180 385486918 /nfs/dbraw/zinc/48/69/18/385486918.db2.gz MOTHQIOKIQYCKM-LLVKDONJSA-N 0 1 237.347 2.407 20 0 BEADMN CC/C=C/CNCc1ccc(C(=O)OC)o1 ZINC000295137554 385459159 /nfs/dbraw/zinc/45/91/59/385459159.db2.gz ZJFZISJDODXNAS-SNAWJCMRSA-N 0 1 223.272 2.122 20 0 BEADMN COCc1cnc(CN[C@@H]2CC[C@H]2C)s1 ZINC000309198068 385461272 /nfs/dbraw/zinc/46/12/72/385461272.db2.gz QVPSKZUWMOJNOC-PSASIEDQSA-N 0 1 226.345 2.178 20 0 BEADMN c1ncc(C[N@H+]2CC[C@H](c3ccccc3)C2)[nH]1 ZINC000179350277 385461732 /nfs/dbraw/zinc/46/17/32/385461732.db2.gz LXBPPFCMNJURLU-ZDUSSCGKSA-N 0 1 227.311 2.399 20 0 BEADMN c1nc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c[nH]1 ZINC000179350277 385461734 /nfs/dbraw/zinc/46/17/34/385461734.db2.gz LXBPPFCMNJURLU-ZDUSSCGKSA-N 0 1 227.311 2.399 20 0 BEADMN Cc1cnc(CNC[C@H]2CCCCO2)s1 ZINC000295211911 385493942 /nfs/dbraw/zinc/49/39/42/385493942.db2.gz AODYONIMBXBKDD-SNVBAGLBSA-N 0 1 226.345 2.110 20 0 BEADMN CO[C@](C)(CNCc1csc(C)n1)C1CC1 ZINC000309247299 385497268 /nfs/dbraw/zinc/49/72/68/385497268.db2.gz MFWTULBRSFJOSB-GFCCVEGCSA-N 0 1 240.372 2.356 20 0 BEADMN CONC(=O)CSCc1ccc(Cl)cc1 ZINC000053720603 385517654 /nfs/dbraw/zinc/51/76/54/385517654.db2.gz TUYQSCQRBYXIQO-UHFFFAOYSA-N 0 1 245.731 2.251 20 0 BEADMN CCC(CC)N[C@@H](C)c1nc(COC)no1 ZINC000183005734 385500036 /nfs/dbraw/zinc/50/00/36/385500036.db2.gz ZCMYVGGUBQIXCI-QMMMGPOBSA-N 0 1 227.308 2.055 20 0 BEADMN Cc1cnc(CN(C)CC2(O)CCCC2)s1 ZINC000180665103 385536466 /nfs/dbraw/zinc/53/64/66/385536466.db2.gz IYFPNPWQOGHMOO-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC1CCOCC1 ZINC000172007448 385540753 /nfs/dbraw/zinc/54/07/53/385540753.db2.gz SMUFZXQGHBXDJE-GFCCVEGCSA-N 0 1 234.343 2.291 20 0 BEADMN CN(Cc1nc(N)c2ccccc2n1)C1CCC1 ZINC000181386885 385575212 /nfs/dbraw/zinc/57/52/12/385575212.db2.gz DGUUTIAOZRVQPP-UHFFFAOYSA-N 0 1 242.326 2.196 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC2(C)C)nn1 ZINC000309373666 385555776 /nfs/dbraw/zinc/55/57/76/385555776.db2.gz BRHBVZLGXXMERJ-LLVKDONJSA-N 0 1 222.336 2.137 20 0 BEADMN COC(=O)[C@H]1CCCC[N@H+]1CC1(C)CCC1 ZINC000309402376 385571232 /nfs/dbraw/zinc/57/12/32/385571232.db2.gz VKKFKUXRZMYBIL-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN COC(=O)[C@H]1CCCCN1CC1(C)CCC1 ZINC000309402376 385571235 /nfs/dbraw/zinc/57/12/35/385571235.db2.gz VKKFKUXRZMYBIL-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CC[C@@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000337336649 385606638 /nfs/dbraw/zinc/60/66/38/385606638.db2.gz NLOZHJSQSQXXNL-CQSZACIVSA-N 0 1 246.354 2.002 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000309494240 385616246 /nfs/dbraw/zinc/61/62/46/385616246.db2.gz XYRGQKAMCBHVPZ-RKDXNWHRSA-N 0 1 240.372 2.317 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C2CCC2)n1 ZINC000336678604 385619712 /nfs/dbraw/zinc/61/97/12/385619712.db2.gz AFIMIKIRLSWEMZ-SECBINFHSA-N 0 1 209.293 2.383 20 0 BEADMN Cc1nccc(NCC[C@@H](O)C(C)C)c1Cl ZINC000336651546 385628046 /nfs/dbraw/zinc/62/80/46/385628046.db2.gz FHEYJUVNVICPIQ-LLVKDONJSA-N 0 1 242.750 2.284 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCC[C@@H](C)C1 ZINC000309481092 385608113 /nfs/dbraw/zinc/60/81/13/385608113.db2.gz WSVODAOKLDFTNJ-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1nnc(N[C@H]2CC3CCC2CC3)s1 ZINC000336649973 385612254 /nfs/dbraw/zinc/61/22/54/385612254.db2.gz LIJSYTMKMLXPRZ-RTBKNWGFSA-N 0 1 223.345 2.259 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccoc1C1CC1 ZINC000281137661 385637714 /nfs/dbraw/zinc/63/77/14/385637714.db2.gz FOGXZXGSNAVIQM-UHFFFAOYSA-N 0 1 245.282 2.119 20 0 BEADMN FC(F)O[C@H]1CCCC[C@@H]1NCc1ccon1 ZINC000337415755 385644218 /nfs/dbraw/zinc/64/42/18/385644218.db2.gz PDVFUFQQUIURAX-UWVGGRQHSA-N 0 1 246.257 2.315 20 0 BEADMN COC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229627595 385645941 /nfs/dbraw/zinc/64/59/41/385645941.db2.gz BMLNHRYNPHPGFD-RISCZKNCSA-N 0 1 245.326 2.448 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@H]1NCc1ccon1 ZINC000337415754 385646341 /nfs/dbraw/zinc/64/63/41/385646341.db2.gz PDVFUFQQUIURAX-NXEZZACHSA-N 0 1 246.257 2.315 20 0 BEADMN Cc1nccc(NC[C@]2(C)CCCO2)c1Cl ZINC000336683658 385649148 /nfs/dbraw/zinc/64/91/48/385649148.db2.gz ZFXWRQROHUSLSG-LBPRGKRZSA-N 0 1 240.734 2.446 20 0 BEADMN CO[C@H](C[NH2+]Cc1n[nH]c2ccccc21)C1CC1 ZINC000645206041 385652631 /nfs/dbraw/zinc/65/26/31/385652631.db2.gz HCIAIDZGXCLWEA-CQSZACIVSA-N 0 1 245.326 2.078 20 0 BEADMN Cc1cnc(CCN(C)Cc2ccno2)s1 ZINC000269980231 385655041 /nfs/dbraw/zinc/65/50/41/385655041.db2.gz NVPLPBMCOSZOKS-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN CN(Cc1cncs1)C[C@H]1CCCC[C@H]1O ZINC000252770957 385660258 /nfs/dbraw/zinc/66/02/58/385660258.db2.gz LHYBWXDTGIXENJ-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000340005970 385661907 /nfs/dbraw/zinc/66/19/07/385661907.db2.gz QJPFJUQQAWDKPC-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc(CN2CC(C)(C)C[C@H]2C)n1C ZINC000414528314 385673221 /nfs/dbraw/zinc/67/32/21/385673221.db2.gz TVCWZWLBZWVLMN-SNVBAGLBSA-N 0 1 221.348 2.349 20 0 BEADMN C/C(Cl)=C/CN(C)[C@H]1CCCOC1 ZINC000528503121 385674821 /nfs/dbraw/zinc/67/48/21/385674821.db2.gz CXJXOTUWLFHRKZ-BSKOKIOFSA-N 0 1 203.713 2.240 20 0 BEADMN C/C(Cl)=C\CN(C)[C@H]1CCCOC1 ZINC000528503124 385674915 /nfs/dbraw/zinc/67/49/15/385674915.db2.gz CXJXOTUWLFHRKZ-CYNRKNSPSA-N 0 1 203.713 2.240 20 0 BEADMN CCCC(CCC)C(=O)N1CCCN(C)CC1 ZINC000366602706 385676603 /nfs/dbraw/zinc/67/66/03/385676603.db2.gz HYWBPMGPNIZSAK-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000182265747 385676682 /nfs/dbraw/zinc/67/66/82/385676682.db2.gz STBDNCLVTHRVLP-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC[C@H](C)C2)n1 ZINC000182265747 385676687 /nfs/dbraw/zinc/67/66/87/385676687.db2.gz STBDNCLVTHRVLP-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CO[C@@](C)(CN1CCC=C(F)C1)C1CC1 ZINC000647912727 385678417 /nfs/dbraw/zinc/67/84/17/385678417.db2.gz XMVDUDCXFHYWFG-LBPRGKRZSA-N 0 1 213.296 2.361 20 0 BEADMN Cc1cnc(NC[C@H](c2ccco2)N(C)C)nc1 ZINC000270199013 385682999 /nfs/dbraw/zinc/68/29/99/385682999.db2.gz FQIYOSKMNVSDHL-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C/C=C/Cl ZINC000253630799 385685960 /nfs/dbraw/zinc/68/59/60/385685960.db2.gz PZBOHUYMSJEYRA-BCZGSGNNSA-N 0 1 243.734 2.457 20 0 BEADMN C[C@@]1(NCc2csnn2)CC=CCC1 ZINC000307433085 385688304 /nfs/dbraw/zinc/68/83/04/385688304.db2.gz NSSADJSEKCJWQZ-SNVBAGLBSA-N 0 1 209.318 2.127 20 0 BEADMN C[C@]1(NCc2csnn2)CC=CCC1 ZINC000307433084 385689840 /nfs/dbraw/zinc/68/98/40/385689840.db2.gz NSSADJSEKCJWQZ-JTQLQIEISA-N 0 1 209.318 2.127 20 0 BEADMN CO[C@H](CN[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000337499863 385692012 /nfs/dbraw/zinc/69/20/12/385692012.db2.gz ZYWYRHGJSKTINL-DGCLKSJQSA-N 0 1 239.363 2.050 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cc(C)n(C)n1)C(C)C ZINC000337499867 385692801 /nfs/dbraw/zinc/69/28/01/385692801.db2.gz ZYWYRHGJSKTINL-YPMHNXCESA-N 0 1 239.363 2.050 20 0 BEADMN C[C@@H](N[C@@H]1C=CCCC1)c1nnc2ccccn21 ZINC000182677914 385694550 /nfs/dbraw/zinc/69/45/50/385694550.db2.gz KTBHFAOUHOJFAP-VXGBXAGGSA-N 0 1 242.326 2.489 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCC(F)(F)CO ZINC000184702743 385695449 /nfs/dbraw/zinc/69/54/49/385695449.db2.gz LUPKSPNEXUUIKQ-ZJUUUORDSA-N 0 1 235.318 2.418 20 0 BEADMN C[N@@H+](CCCO)[C@@H]1CCc2ccc(F)cc21 ZINC000281931855 385716424 /nfs/dbraw/zinc/71/64/24/385716424.db2.gz SOWYFVRYRFXYTC-CYBMUJFWSA-N 0 1 223.291 2.127 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H](C)[C@H](C)CC)n1 ZINC000183054321 385733285 /nfs/dbraw/zinc/73/32/85/385733285.db2.gz UMICCNHJFGTKCW-NXEZZACHSA-N 0 1 237.347 2.269 20 0 BEADMN CCN(CC(=O)N1CC(CC)(CC)C1)C1CC1 ZINC000355830537 385746153 /nfs/dbraw/zinc/74/61/53/385746153.db2.gz AAAFBYSOQZXKGK-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)(CNCc1cocn1)c1cccnc1 ZINC000414554350 385750691 /nfs/dbraw/zinc/75/06/91/385750691.db2.gz GWWJKWTXNIVUGN-UHFFFAOYSA-N 0 1 231.299 2.137 20 0 BEADMN CCC[C@H](CC)SCc1nn[nH]n1 ZINC000308247533 385756055 /nfs/dbraw/zinc/75/60/55/385756055.db2.gz XTDWBHMERCTOIJ-ZETCQYMHSA-N 0 1 200.311 2.012 20 0 BEADMN CCCCCNC(=O)c1cnccc1N(C)C ZINC000183456128 385763164 /nfs/dbraw/zinc/76/31/64/385763164.db2.gz PWKQXSMOURZWKJ-UHFFFAOYSA-N 0 1 235.331 2.068 20 0 BEADMN CCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000647797667 385777305 /nfs/dbraw/zinc/77/73/05/385777305.db2.gz XNSLMAGBGXAYQD-UHFFFAOYSA-N 0 1 219.244 2.007 20 0 BEADMN COC[C@H](CC(C)C)N[C@@H](C)c1ccon1 ZINC000309660777 385779010 /nfs/dbraw/zinc/77/90/10/385779010.db2.gz RGMSLHYZCDIMSQ-QWRGUYRKSA-N 0 1 226.320 2.386 20 0 BEADMN CC(C)COCCN(C)Cc1ccco1 ZINC000282750681 385783258 /nfs/dbraw/zinc/78/32/58/385783258.db2.gz SKHUXLFRKACNTR-UHFFFAOYSA-N 0 1 211.305 2.384 20 0 BEADMN C[C@@H]1C[C@H]1CN[C@H](CO)c1c(F)cccc1F ZINC000488436579 385783554 /nfs/dbraw/zinc/78/35/54/385783554.db2.gz XOEHOAUNFGIXCV-VDDIYKPWSA-N 0 1 241.281 2.244 20 0 BEADMN Cc1noc([C@@H](C)NCC2CC(F)(F)C2)n1 ZINC000309593350 385722513 /nfs/dbraw/zinc/72/25/13/385722513.db2.gz VKNWCHYMLWJHAP-ZCFIWIBFSA-N 0 1 231.246 2.074 20 0 BEADMN Cc1ccnc(N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270632233 385724657 /nfs/dbraw/zinc/72/46/57/385724657.db2.gz FZMKWWLJSOCMMT-SECBINFHSA-N 0 1 246.318 2.200 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2ccco2)n[nH]1 ZINC000270635134 385725666 /nfs/dbraw/zinc/72/56/66/385725666.db2.gz GUQDYOJUXFRJHP-SECBINFHSA-N 0 1 234.303 2.372 20 0 BEADMN FC1(F)CCC[C@H](CNCc2csnn2)C1 ZINC000336710816 385800940 /nfs/dbraw/zinc/80/09/40/385800940.db2.gz RXRJENGWAWBMRE-QMMMGPOBSA-N 0 1 247.314 2.453 20 0 BEADMN c1nc(CN[C@H]2CCc3ccccc3OC2)co1 ZINC000337839620 385805791 /nfs/dbraw/zinc/80/57/91/385805791.db2.gz YVIUSICRTXIHER-LBPRGKRZSA-N 0 1 244.294 2.158 20 0 BEADMN O=C(c1cnc[nH]1)N1CC(C2CCCCC2)C1 ZINC000294136492 385812505 /nfs/dbraw/zinc/81/25/05/385812505.db2.gz KYRHVENPVGHXRG-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H](NCc1c[nH]nn1)c1ccccc1Cl ZINC000283978840 385814086 /nfs/dbraw/zinc/81/40/86/385814086.db2.gz MGZJWBPAMTWNMK-MRVPVSSYSA-N 0 1 236.706 2.309 20 0 BEADMN CC[C@H](OC)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000271304258 385815370 /nfs/dbraw/zinc/81/53/70/385815370.db2.gz VBWPUWBIZAFATF-LBPRGKRZSA-N 0 1 247.298 2.235 20 0 BEADMN CCN(C(=O)c1ccc2cncn2c1)C(C)C ZINC000283322741 385815645 /nfs/dbraw/zinc/81/56/45/385815645.db2.gz FBQFZKCZRODXCU-UHFFFAOYSA-N 0 1 231.299 2.205 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000354163042 385817474 /nfs/dbraw/zinc/81/74/74/385817474.db2.gz LAAZHQCCICYPMG-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)(C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365847820 385823211 /nfs/dbraw/zinc/82/32/11/385823211.db2.gz MQSPGAHFIBSFLZ-CYBMUJFWSA-N 0 1 244.354 2.114 20 0 BEADMN CCCCCC[N@H+]1CCOC[C@H]1CCOC ZINC000365839151 385824125 /nfs/dbraw/zinc/82/41/25/385824125.db2.gz SYELNRLTIFQMBK-CYBMUJFWSA-N 0 1 229.364 2.304 20 0 BEADMN CC(C)C[C@H](N)c1noc(C2(C)CC2)n1 ZINC000336737852 385824805 /nfs/dbraw/zinc/82/48/05/385824805.db2.gz JVYXUNVWUSDURZ-QMMMGPOBSA-N 0 1 209.293 2.167 20 0 BEADMN CCc1cc(C(=O)N2CCCCC[C@@H]2C)n[nH]1 ZINC000335671259 385831164 /nfs/dbraw/zinc/83/11/64/385831164.db2.gz UTTASTZXUWEUPJ-JTQLQIEISA-N 0 1 235.331 2.377 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000283793186 385833837 /nfs/dbraw/zinc/83/38/37/385833837.db2.gz AJXUXXYGVUKCQP-RYUDHWBXSA-N 0 1 247.342 2.156 20 0 BEADMN O=C(CCCC1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000643231846 385835294 /nfs/dbraw/zinc/83/52/94/385835294.db2.gz NSULSHGGXHFCRH-GFCCVEGCSA-N 0 1 247.342 2.484 20 0 BEADMN COC1(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000335692158 385837559 /nfs/dbraw/zinc/83/75/59/385837559.db2.gz YBVTUAVIIPNWTJ-TXEJJXNPSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](C)[C@](C)(O)CNCc1csc(C)n1 ZINC000112380027 385840937 /nfs/dbraw/zinc/84/09/37/385840937.db2.gz FQHHMAZRHDDFFE-JOYOIKCWSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)OCCCO2 ZINC000271644160 385843111 /nfs/dbraw/zinc/84/31/11/385843111.db2.gz HPHCNDMYPVQPKU-SNVBAGLBSA-N 0 1 239.290 2.468 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN2CCO[C@H]3C[C@H]32)C1 ZINC000644837130 385848157 /nfs/dbraw/zinc/84/81/57/385848157.db2.gz GYGMEQNKWOHRBG-DEQVHRJGSA-N 0 1 221.344 2.452 20 0 BEADMN CO[C@H](C)CN(Cc1ccns1)C(C)C ZINC000638114041 385849429 /nfs/dbraw/zinc/84/94/29/385849429.db2.gz WQWBXSOWDQDRHE-SNVBAGLBSA-N 0 1 228.361 2.388 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000262534353 385855763 /nfs/dbraw/zinc/85/57/63/385855763.db2.gz QBRRTAGLFXIZLP-BZPMIXESSA-N 0 1 247.338 2.413 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000262534379 385856185 /nfs/dbraw/zinc/85/61/85/385856185.db2.gz QBRRTAGLFXIZLP-SCRDCRAPSA-N 0 1 247.338 2.413 20 0 BEADMN Cc1nccc(NCCC[C@@H](C)O)c1Cl ZINC000336707833 385794415 /nfs/dbraw/zinc/79/44/15/385794415.db2.gz RZXCVWYNQOTEKF-MRVPVSSYSA-N 0 1 228.723 2.038 20 0 BEADMN CN(CCc1cccs1)Cc1ccn(C)n1 ZINC000271167939 385795812 /nfs/dbraw/zinc/79/58/12/385795812.db2.gz CPDWMJCMPXWPCR-UHFFFAOYSA-N 0 1 235.356 2.156 20 0 BEADMN CN(Cc1ccon1)C[C@H]1CC=CCC1 ZINC000271170651 385796832 /nfs/dbraw/zinc/79/68/32/385796832.db2.gz DOXYLJQUOKMTJR-NSHDSACASA-N 0 1 206.289 2.463 20 0 BEADMN CN(Cc1cccc(F)c1F)CC(C)(C)CO ZINC000294696913 385884361 /nfs/dbraw/zinc/88/43/61/385884361.db2.gz CQKKHUGULCLCPA-UHFFFAOYSA-N 0 1 243.297 2.415 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000338063369 385885461 /nfs/dbraw/zinc/88/54/61/385885461.db2.gz YJEQFFGFAQYINN-AEJSXWLSSA-N 0 1 223.320 2.417 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000294717822 385887657 /nfs/dbraw/zinc/88/76/57/385887657.db2.gz FXHKJCRRLHMFLW-NWDGAFQWSA-N 0 1 249.358 2.353 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)[nH]1 ZINC000272739268 385928714 /nfs/dbraw/zinc/92/87/14/385928714.db2.gz KMRFKIXEFXCVSW-ZJUUUORDSA-N 0 1 236.315 2.032 20 0 BEADMN CC[C@H]1CN(Cc2ccc(CO)cc2)C[C@@H](C)O1 ZINC000272303201 385892376 /nfs/dbraw/zinc/89/23/76/385892376.db2.gz JEFNQAOUZJFRTI-DOMZBBRYSA-N 0 1 249.354 2.178 20 0 BEADMN CCc1ccccc1NC(=O)N1CC(N(C)C)C1 ZINC000272305534 385892825 /nfs/dbraw/zinc/89/28/25/385892825.db2.gz DYIJGEYHGLRUAN-UHFFFAOYSA-N 0 1 247.342 2.027 20 0 BEADMN Cc1nocc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414596972 385898282 /nfs/dbraw/zinc/89/82/82/385898282.db2.gz VUTSNMHLUJFWCG-GHMZBOCLSA-N 0 1 218.256 2.222 20 0 BEADMN CC(C)c1nc(CNCc2ccccc2F)n[nH]1 ZINC000294811810 385899655 /nfs/dbraw/zinc/89/96/55/385899655.db2.gz NXANVMWTFYANLH-UHFFFAOYSA-N 0 1 248.305 2.357 20 0 BEADMN CSCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272513572 385908393 /nfs/dbraw/zinc/90/83/93/385908393.db2.gz XYPNKMTWQFRZQC-UHFFFAOYSA-N 0 1 249.286 2.347 20 0 BEADMN CSCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000285272473 385911926 /nfs/dbraw/zinc/91/19/26/385911926.db2.gz DUVXRRPDIOIHHX-LLVKDONJSA-N 0 1 225.361 2.300 20 0 BEADMN COC[C@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000294898998 385912024 /nfs/dbraw/zinc/91/20/24/385912024.db2.gz XCKXSLRTVMGDAG-QMMMGPOBSA-N 0 1 248.248 2.225 20 0 BEADMN FCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285303870 385913061 /nfs/dbraw/zinc/91/30/61/385913061.db2.gz HNIYKOLWTDONQV-NSHDSACASA-N 0 1 211.284 2.296 20 0 BEADMN C[C@@H]1CCC[C@@H](Cn2ccnc2CN)C1 ZINC000308938259 385913249 /nfs/dbraw/zinc/91/32/49/385913249.db2.gz UDSYLEVPORWVFI-GHMZBOCLSA-N 0 1 207.321 2.168 20 0 BEADMN COc1nccc(C[N@H+]2CCCC(C)(C)CC2)n1 ZINC000294906525 385914512 /nfs/dbraw/zinc/91/45/12/385914512.db2.gz SIXPXDHVQUTAKU-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN c1cncc(CN(C[C@H]2CCCO2)C2CC2)c1 ZINC000272585704 385914815 /nfs/dbraw/zinc/91/48/15/385914815.db2.gz REMAGWZKDGAUMA-CQSZACIVSA-N 0 1 232.327 2.225 20 0 BEADMN Cn1nccc1CN1CCC=C(c2ccco2)C1 ZINC000285339466 385915011 /nfs/dbraw/zinc/91/50/11/385915011.db2.gz OSKPKPKVRMTHSI-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN FCCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000308943396 385916009 /nfs/dbraw/zinc/91/60/09/385916009.db2.gz RATPCUSSWXKDML-NEPJUHHUSA-N 0 1 209.264 2.076 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ccc(=O)[nH]n1)C(F)(F)F ZINC000353676277 385918316 /nfs/dbraw/zinc/91/83/16/385918316.db2.gz WUXPTGCTCFMMRB-BQBZGAKWSA-N 0 1 249.236 2.031 20 0 BEADMN COC[C@H](N[C@@H]1CSC[C@@H]1C)c1ccco1 ZINC000294935853 385920811 /nfs/dbraw/zinc/92/08/11/385920811.db2.gz BLFLHUYBUUSWMQ-GARJFASQSA-N 0 1 241.356 2.308 20 0 BEADMN CC1=C(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCC1 ZINC000335034048 385923846 /nfs/dbraw/zinc/92/38/46/385923846.db2.gz LVKLVRGQSYNBLX-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CC1=C(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CCC1 ZINC000335034051 385924461 /nfs/dbraw/zinc/92/44/61/385924461.db2.gz LVKLVRGQSYNBLX-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@H]1COCCN1C[C@H]1CCC(F)(F)C1 ZINC000335035564 385926053 /nfs/dbraw/zinc/92/60/53/385926053.db2.gz PDWBAFQSGDKELS-UWVGGRQHSA-N 0 1 219.275 2.143 20 0 BEADMN CCC[C@@H](O)CNC(C)(C)c1nccs1 ZINC000294966036 385926867 /nfs/dbraw/zinc/92/68/67/385926867.db2.gz NXBCNXQTDGMCRG-SECBINFHSA-N 0 1 228.361 2.129 20 0 BEADMN COc1cc(Cl)ccc1CN(C)[C@H](C)CO ZINC000284326110 385861954 /nfs/dbraw/zinc/86/19/54/385861954.db2.gz BIJXJZXTYOYKCY-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN C[C@@H]1C[C@@H]1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000284335037 385864954 /nfs/dbraw/zinc/86/49/54/385864954.db2.gz QSUYVUMVPKFOOZ-LDWIPMOCSA-N 0 1 249.701 2.355 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CCCC2CC2)CCN1C ZINC000643238661 385877466 /nfs/dbraw/zinc/87/74/66/385877466.db2.gz CUSRCPJCYLHARE-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1ccc(C[N@@H+](C)C2CCCC2)[nH]1 ZINC000272740685 385928186 /nfs/dbraw/zinc/92/81/86/385928186.db2.gz KZJUSVBKLVPOFX-UHFFFAOYSA-N 0 1 236.315 2.176 20 0 BEADMN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccncc1F ZINC000338006511 385877658 /nfs/dbraw/zinc/87/76/58/385877658.db2.gz CSKRQQUPAPGVKL-WDEREUQCSA-N 0 1 248.305 2.157 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000647735905 385878553 /nfs/dbraw/zinc/87/85/53/385878553.db2.gz QXOJMWNTKAECOR-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000294664622 385880939 /nfs/dbraw/zinc/88/09/39/385880939.db2.gz ACNPUFNNTLXKBW-DGCLKSJQSA-N 0 1 249.358 2.166 20 0 BEADMN C[C@H](NCCOCC1CC1)c1ccc(F)cn1 ZINC000221056149 385978365 /nfs/dbraw/zinc/97/83/65/385978365.db2.gz DVQSOOXNLZYCCI-JTQLQIEISA-N 0 1 238.306 2.298 20 0 BEADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1cc2n(n1)CCC2 ZINC000414131630 385979251 /nfs/dbraw/zinc/97/92/51/385979251.db2.gz ZVYYGFVIVUKWKG-NQBHXWOUSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H]1CCCCN(C(=O)c2ccc(CN)o2)C1 ZINC000335022382 385983058 /nfs/dbraw/zinc/98/30/58/385983058.db2.gz DLCVOKVOVRHLST-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ncc(C)s2)C1 ZINC000295172179 385983379 /nfs/dbraw/zinc/98/33/79/385983379.db2.gz UMMJSSUSHRPBKM-LBPRGKRZSA-N 0 1 240.372 2.310 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H]1CCCC(F)(F)C1 ZINC000338374556 385984781 /nfs/dbraw/zinc/98/47/81/385984781.db2.gz USDLEUIMJSPNGS-UWVGGRQHSA-N 0 1 249.301 2.305 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc2n(n1)CCC2 ZINC000414138802 385986564 /nfs/dbraw/zinc/98/65/64/385986564.db2.gz FTUFRQMHILXJLN-MPKXVKKWSA-N 0 1 249.358 2.047 20 0 BEADMN CCOC[C@H](N[C@H](C)c1nccn1C)C(C)C ZINC000189355624 385987902 /nfs/dbraw/zinc/98/79/02/385987902.db2.gz SGIDKKNTGHMFGA-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000309141767 385988319 /nfs/dbraw/zinc/98/83/19/385988319.db2.gz ZIUWIWWFNFJPIC-SRVKXCTJSA-N 0 1 227.348 2.465 20 0 BEADMN CCOC[C@@H](N[C@@H](C)c1nccn1C)C(C)C ZINC000189355604 385988437 /nfs/dbraw/zinc/98/84/37/385988437.db2.gz SGIDKKNTGHMFGA-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN COC1(CN[C@@H](C)c2ccn(C)n2)CCCC1 ZINC000414141300 385989322 /nfs/dbraw/zinc/98/93/22/385989322.db2.gz MCAHZNSMWDOSTM-NSHDSACASA-N 0 1 237.347 2.030 20 0 BEADMN CC(C)COCCN(C)Cc1ccccn1 ZINC000295199295 385990616 /nfs/dbraw/zinc/99/06/16/385990616.db2.gz SHEVJXXGFCPZIA-UHFFFAOYSA-N 0 1 222.332 2.186 20 0 BEADMN CC/C=C\CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414144652 385991156 /nfs/dbraw/zinc/99/11/56/385991156.db2.gz JTWSJUVSDQHUJB-WYGGZMRJSA-N 0 1 219.332 2.446 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000414145173 385991492 /nfs/dbraw/zinc/99/14/92/385991492.db2.gz NTDHNMFACOQGOH-WISYIIOYSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@H](C[N@@H+](Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000071736268 385932662 /nfs/dbraw/zinc/93/26/62/385932662.db2.gz OTSMHZWBJWAZEG-LLVKDONJSA-N 0 1 233.311 2.372 20 0 BEADMN C[C@H](N[C@@H]1CCCOC1)c1c(F)cncc1F ZINC000285501819 385934169 /nfs/dbraw/zinc/93/41/69/385934169.db2.gz CWZQVPMADJNNEH-DTWKUNHWSA-N 0 1 242.269 2.189 20 0 BEADMN COC[C@@H](C)N1CCOc2ccc(C)cc2C1 ZINC000285522205 385936032 /nfs/dbraw/zinc/93/60/32/385936032.db2.gz KIPCXSOUXRQQDS-GFCCVEGCSA-N 0 1 235.327 2.224 20 0 BEADMN CCCCCNC(=O)CN[C@H](C)c1cccnc1 ZINC000272821309 385939773 /nfs/dbraw/zinc/93/97/73/385939773.db2.gz XFSXLLLVYKINJA-GFCCVEGCSA-N 0 1 249.358 2.039 20 0 BEADMN CC(C)n1cc(CNCCC2(F)CCC2)nn1 ZINC000342192178 385942879 /nfs/dbraw/zinc/94/28/79/385942879.db2.gz AMIWVDBXVNRQCV-UHFFFAOYSA-N 0 1 240.326 2.231 20 0 BEADMN CCC[C@@H](O)CN[C@H](COC)c1ccc(C)o1 ZINC000295014918 385943427 /nfs/dbraw/zinc/94/34/27/385943427.db2.gz PSNRMHADUPUPHQ-VXGBXAGGSA-N 0 1 241.331 2.026 20 0 BEADMN CCC[C@@H](O)CN[C@@H](COC)c1ccc(C)o1 ZINC000295014913 385944223 /nfs/dbraw/zinc/94/42/23/385944223.db2.gz PSNRMHADUPUPHQ-NEPJUHHUSA-N 0 1 241.331 2.026 20 0 BEADMN C[C@H](NC[C@H]1CCCCO1)c1cc2n(n1)CCC2 ZINC000414069882 385944326 /nfs/dbraw/zinc/94/43/26/385944326.db2.gz KSFGPBVUCIOXEX-WCQYABFASA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nc(C)no1 ZINC000335051012 385948323 /nfs/dbraw/zinc/94/83/23/385948323.db2.gz NNHXTJAEZRHXMQ-WPRPVWTQSA-N 0 1 209.293 2.141 20 0 BEADMN COc1ccncc1CN1CCC(CF)CC1 ZINC000295216681 385993645 /nfs/dbraw/zinc/99/36/45/385993645.db2.gz XHKYZXZYUBQTEO-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1ccc(C(=O)CC[N@H+](C)C2(CO)CC2)cc1 ZINC000285671383 385954608 /nfs/dbraw/zinc/95/46/08/385954608.db2.gz ZTUHGQDOYFIYIV-UHFFFAOYSA-N 0 1 247.338 2.025 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@](F)(CO)C2)c1 ZINC000335059022 385961232 /nfs/dbraw/zinc/96/12/32/385961232.db2.gz BKINVPLPAUBRCU-GXTWGEPZSA-N 0 1 237.318 2.462 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccccc2O)n1 ZINC000414618405 385962830 /nfs/dbraw/zinc/96/28/30/385962830.db2.gz MNBISSPZDGAWAX-SNVBAGLBSA-N 0 1 247.298 2.488 20 0 BEADMN CC[C@@H](C)N1CCN(c2ncc(C)s2)CC1 ZINC000273060479 385963049 /nfs/dbraw/zinc/96/30/49/385963049.db2.gz IYXIHBPZTORQCH-SNVBAGLBSA-N 0 1 239.388 2.372 20 0 BEADMN Cc1ccc(-c2n[nH]c(SC[C@H](C)O)n2)cc1 ZINC000414102703 385965152 /nfs/dbraw/zinc/96/51/52/385965152.db2.gz WBMFEZPOIUSYIY-VIFPVBQESA-N 0 1 249.339 2.253 20 0 BEADMN C=Cn1cc(CN2CCC(CF)CC2)cn1 ZINC000295098641 385966864 /nfs/dbraw/zinc/96/68/64/385966864.db2.gz SKRRPYCYJIZEPI-UHFFFAOYSA-N 0 1 223.295 2.165 20 0 BEADMN COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)nn1 ZINC000338361163 385969017 /nfs/dbraw/zinc/96/90/17/385969017.db2.gz PIZSTKQHHFMZIX-CMPLNLGQSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@@H](C)C[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340220746 385994583 /nfs/dbraw/zinc/99/45/83/385994583.db2.gz ZYNNHIKYSHCIRL-SECBINFHSA-N 0 1 239.319 2.001 20 0 BEADMN CC[C@H](C)OCc1nc([C@@H](N)CC(C)C)no1 ZINC000414619726 385972244 /nfs/dbraw/zinc/97/22/44/385972244.db2.gz OMPYDGCSZHQGGA-UWVGGRQHSA-N 0 1 241.335 2.431 20 0 BEADMN C[C@@H](NCCCO)c1ncc(-c2ccccc2)o1 ZINC000273382603 385995347 /nfs/dbraw/zinc/99/53/47/385995347.db2.gz NFINQQREHIXFRN-LLVKDONJSA-N 0 1 246.310 2.375 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@H](C)c1ccn(C)n1)OC ZINC000414148578 385997128 /nfs/dbraw/zinc/99/71/28/385997128.db2.gz SWNHWGSVDXQUGP-DMDPSCGWSA-N 0 1 239.363 2.132 20 0 BEADMN CO[C@H](C[N@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000425419544 385997780 /nfs/dbraw/zinc/99/77/80/385997780.db2.gz JXXMCFRHJYGUBH-CYBMUJFWSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNc1ccnc(C)c1Cl ZINC000336749838 385998942 /nfs/dbraw/zinc/99/89/42/385998942.db2.gz ZESWDQZHVAYKNV-KCJUWKMLSA-N 0 1 242.750 2.284 20 0 BEADMN Cc1nocc1CN(C)CCCOC(C)C ZINC000295253164 385999347 /nfs/dbraw/zinc/99/93/47/385999347.db2.gz GEMWNUOTNIXCHD-UHFFFAOYSA-N 0 1 226.320 2.230 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H]1C)c1csnn1 ZINC000306619658 386002412 /nfs/dbraw/zinc/00/24/12/386002412.db2.gz TZPDTRUGBMPCFN-CIUDSAMLSA-N 0 1 211.334 2.377 20 0 BEADMN CCC[C@@H](OC)c1nc(C2(N)CCCC2)no1 ZINC000414629176 386002424 /nfs/dbraw/zinc/00/24/24/386002424.db2.gz PYNGREQMFHAEJD-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN Cc1nnc([C@H]2CCCC[N@H+]2CC2CCC2)[nH]1 ZINC000335065850 386003316 /nfs/dbraw/zinc/00/33/16/386003316.db2.gz SKNMACAEDXHGAZ-GFCCVEGCSA-N 0 1 234.347 2.440 20 0 BEADMN Cc1nnc([C@H]2CCCCN2CC2CCC2)[nH]1 ZINC000335065850 386003323 /nfs/dbraw/zinc/00/33/23/386003323.db2.gz SKNMACAEDXHGAZ-GFCCVEGCSA-N 0 1 234.347 2.440 20 0 BEADMN C[C@@]1(F)CCCN(CCc2ccccn2)C1 ZINC000295304091 386008516 /nfs/dbraw/zinc/00/85/16/386008516.db2.gz FMHFZFLVRUHRPJ-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN CN(Cc1nccn1C)C[C@H]1CC=CCC1 ZINC000273524517 386008990 /nfs/dbraw/zinc/00/89/90/386008990.db2.gz JXIOMPORMBXFDG-LBPRGKRZSA-N 0 1 219.332 2.208 20 0 BEADMN CC(C)=CCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414121913 386014441 /nfs/dbraw/zinc/01/44/41/386014441.db2.gz AFHBLOOLCIULNA-NSHDSACASA-N 0 1 219.332 2.446 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@H](C)C2)n1 ZINC000336770401 386015153 /nfs/dbraw/zinc/01/51/53/386015153.db2.gz WQDGXPHRZTUFET-OYNCUSHFSA-N 0 1 209.293 2.217 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H](C)c2nccn2C)C12CCC2 ZINC000414170969 386016883 /nfs/dbraw/zinc/01/68/83/386016883.db2.gz CIRPMGYTDPBIDZ-SDDRHHMPSA-N 0 1 249.358 2.028 20 0 BEADMN CCCC1(CNC(=O)c2cnccc2N)CCC1 ZINC000188012584 386019273 /nfs/dbraw/zinc/01/92/73/386019273.db2.gz AZNBTTAJTCFYPU-UHFFFAOYSA-N 0 1 247.342 2.364 20 0 BEADMN C[C@@H]1C[C@@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000335070929 386019475 /nfs/dbraw/zinc/01/94/75/386019475.db2.gz JPTBLWJJRWYETQ-NXEZZACHSA-N 0 1 235.331 2.386 20 0 BEADMN C[C@H](C[C@H](C)O)NCc1c(F)cccc1F ZINC000164564284 386036093 /nfs/dbraw/zinc/03/60/93/386036093.db2.gz QKLOHOPJNKELQQ-BDAKNGLRSA-N 0 1 229.270 2.214 20 0 BEADMN Cc1noc([C@H](C)NC[C@H]2CC=CCC2)n1 ZINC000336728064 386039587 /nfs/dbraw/zinc/03/95/87/386039587.db2.gz CETBWGFYIYRJQX-ONGXEEELSA-N 0 1 221.304 2.385 20 0 BEADMN CN(Cc1ccc(Cl)cc1)C(C)(C)C(N)=O ZINC000295478334 386040947 /nfs/dbraw/zinc/04/09/47/386040947.db2.gz RGSBBKHHZRTVLD-UHFFFAOYSA-N 0 1 240.734 2.036 20 0 BEADMN CO[C@@H](CN1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000338547352 386041246 /nfs/dbraw/zinc/04/12/46/386041246.db2.gz SRFFURNBJYAKCP-HIFRSBDPSA-N 0 1 248.370 2.010 20 0 BEADMN CCCC[C@H](COC)NCc1ccn(CC)n1 ZINC000414204633 386041333 /nfs/dbraw/zinc/04/13/33/386041333.db2.gz GFLXHIMFFSYWKQ-CYBMUJFWSA-N 0 1 239.363 2.198 20 0 BEADMN C[C@@H](NCC1(C(F)F)CC1)c1ccn(C)n1 ZINC000414157200 386043590 /nfs/dbraw/zinc/04/35/90/386043590.db2.gz VWVZWCWTNYHIDZ-MRVPVSSYSA-N 0 1 229.274 2.116 20 0 BEADMN [O-]c1cccc2c(N[C@@H]3CCOC3)cc[nH+]c12 ZINC000644881750 386046675 /nfs/dbraw/zinc/04/66/75/386046675.db2.gz IEXRFECOZGLGBE-SECBINFHSA-N 0 1 230.267 2.141 20 0 BEADMN CO[C@@H](C)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273906624 386050563 /nfs/dbraw/zinc/05/05/63/386050563.db2.gz MONMDEOZYPCRNB-ZETCQYMHSA-N 0 1 244.254 2.320 20 0 BEADMN Cc1cnc(CN[C@H]2CCCc3cn[nH]c32)s1 ZINC000295586277 386055575 /nfs/dbraw/zinc/05/55/75/386055575.db2.gz DYXVBIRAQCBXSJ-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN CC(=O)c1cccc(CN2C[C@H](O)C(C)(C)C2)c1 ZINC000295885287 386101039 /nfs/dbraw/zinc/10/10/39/386101039.db2.gz DDZKFCFFBWWHKM-AWEZNQCLSA-N 0 1 247.338 2.092 20 0 BEADMN CCn1ccnc1NCc1cc(OC)cc(C)n1 ZINC000414294705 386104245 /nfs/dbraw/zinc/10/42/45/386104245.db2.gz DTQCPCNUTPMGGD-UHFFFAOYSA-N 0 1 246.314 2.227 20 0 BEADMN COC1([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000414298843 386106222 /nfs/dbraw/zinc/10/62/22/386106222.db2.gz HKYSNAHWLBXQJE-SDDRHHMPSA-N 0 1 249.358 2.436 20 0 BEADMN Cc1noc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000037980785 386109424 /nfs/dbraw/zinc/10/94/24/386109424.db2.gz ZPXYYRXRTDIGJY-SCZZXKLOSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1noc(C)c1CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000334462631 386120986 /nfs/dbraw/zinc/12/09/86/386120986.db2.gz XZPRTOXEAKPHRG-BETUJISGSA-N 0 1 234.343 2.422 20 0 BEADMN c1c(CNCCOCC2CC2)onc1C1CC1 ZINC000638587088 386058800 /nfs/dbraw/zinc/05/88/00/386058800.db2.gz AKSZSWOGJNQYJJ-UHFFFAOYSA-N 0 1 236.315 2.068 20 0 BEADMN CCN1C[C@@H](C)N(Cc2nccs2)[C@@H](C)C1 ZINC000334436123 386059543 /nfs/dbraw/zinc/05/95/43/386059543.db2.gz ZUNLJZKKBATWHH-PHIMTYICSA-N 0 1 239.388 2.058 20 0 BEADMN CC1(C)CN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000644882013 386059606 /nfs/dbraw/zinc/05/96/06/386059606.db2.gz FPINLPSWKCUREI-UHFFFAOYSA-N 0 1 247.273 2.184 20 0 BEADMN Cc1cncc(CN(C)[C@H]2CCCOC2)c1 ZINC000334442488 386061211 /nfs/dbraw/zinc/06/12/11/386061211.db2.gz LRLGPOHSISTWEI-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CCC1CC([NH2+]Cc2ncccc2[O-])C1 ZINC000336753547 386063548 /nfs/dbraw/zinc/06/35/48/386063548.db2.gz GYRQNWIQEWQMQP-UHFFFAOYSA-N 0 1 206.289 2.065 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NCc1cnc[nH]1 ZINC000356150137 386072488 /nfs/dbraw/zinc/07/24/88/386072488.db2.gz IDYPSNSZODSLNT-GFCCVEGCSA-N 0 1 223.320 2.242 20 0 BEADMN CC(C)c1cc(C(=O)N2CC(C3CC3)C2)n[nH]1 ZINC000643291734 386073850 /nfs/dbraw/zinc/07/38/50/386073850.db2.gz CYZNDSRGGBUNMS-UHFFFAOYSA-N 0 1 233.315 2.015 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CS[C@@H](C)C2)nn1C ZINC000414226628 386076252 /nfs/dbraw/zinc/07/62/52/386076252.db2.gz KCNHTECVAPVASP-DCAQKATOSA-N 0 1 239.388 2.273 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CS[C@@H](C)C1 ZINC000414224279 386076271 /nfs/dbraw/zinc/07/62/71/386076271.db2.gz HKUAUGCRNMCHHP-DCAQKATOSA-N 0 1 239.388 2.448 20 0 BEADMN CC(C)(C)[C@@H](O)CNCc1ncc(Cl)s1 ZINC000336772227 386078653 /nfs/dbraw/zinc/07/86/53/386078653.db2.gz XXMKHNPMIOAVGG-ZETCQYMHSA-N 0 1 248.779 2.293 20 0 BEADMN COC(=O)c1coc(CNCC=C(C)C)c1 ZINC000234569011 386080345 /nfs/dbraw/zinc/08/03/45/386080345.db2.gz IUUDFISRQXCWEI-UHFFFAOYSA-N 0 1 223.272 2.122 20 0 BEADMN CCCC[S@@](=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000414259743 386082859 /nfs/dbraw/zinc/08/28/59/386082859.db2.gz IAXIDHUAUWTMIL-MRXNPFEDSA-N 0 1 243.376 2.151 20 0 BEADMN CCCC[S@](=O)Cc1n[nH]c(C(C)(C)C)n1 ZINC000414259742 386083071 /nfs/dbraw/zinc/08/30/71/386083071.db2.gz IAXIDHUAUWTMIL-INIZCTEOSA-N 0 1 243.376 2.151 20 0 BEADMN CCc1ccccc1CN1CC[C@](F)(CO)C1 ZINC000338627754 386083336 /nfs/dbraw/zinc/08/33/36/386083336.db2.gz XIRCQTBFYWACOJ-CQSZACIVSA-N 0 1 237.318 2.155 20 0 BEADMN CCCC[C@H](CC)NCc1nc2ncccn2n1 ZINC000414275715 386089661 /nfs/dbraw/zinc/08/96/61/386089661.db2.gz XAFNTYZJTYJSEL-NSHDSACASA-N 0 1 247.346 2.183 20 0 BEADMN CO[C@H]1C[N@@H+](CCc2cscn2)CC[C@H]1C ZINC000296168983 386146643 /nfs/dbraw/zinc/14/66/43/386146643.db2.gz ZGMIFKDRGYUGCG-PWSUYJOCSA-N 0 1 240.372 2.042 20 0 BEADMN CC(C)(C)C1CCN(Cc2c[nH]nn2)CC1 ZINC000335153404 386148842 /nfs/dbraw/zinc/14/88/42/386148842.db2.gz HZHHXIWRVXEXSM-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)C(C)(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000335158864 386152656 /nfs/dbraw/zinc/15/26/56/386152656.db2.gz NBDPENAGGVACCT-SNVBAGLBSA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](F)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000440793150 386155114 /nfs/dbraw/zinc/15/51/14/386155114.db2.gz OOTNGYSFHLKYPR-VHSXEESVSA-N 0 1 226.299 2.080 20 0 BEADMN CC(C)=CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000365560840 386157308 /nfs/dbraw/zinc/15/73/08/386157308.db2.gz WPVOSFADIHFTIU-YPMHNXCESA-N 0 1 209.333 2.452 20 0 BEADMN CCc1ccc(CN2CCC[C@@H](OC)C2)nc1 ZINC000338961027 386190145 /nfs/dbraw/zinc/19/01/45/386190145.db2.gz PEYUYUATJWYOFA-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1nccc(N(C)CC(C)(C)O)c1Cl ZINC000308793713 386158690 /nfs/dbraw/zinc/15/86/90/386158690.db2.gz BRTUWSLSBWLKOM-UHFFFAOYSA-N 0 1 228.723 2.251 20 0 BEADMN COC(=O)CN(C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000346180232 386160404 /nfs/dbraw/zinc/16/04/04/386160404.db2.gz PUZHCYVNYRJKBB-RYUDHWBXSA-N 0 1 239.359 2.450 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000310181072 386162967 /nfs/dbraw/zinc/16/29/67/386162967.db2.gz WIHQKNKMLCPQKG-IJLUTSLNSA-N 0 1 236.363 2.385 20 0 BEADMN CCC1(C)CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000263654574 386163248 /nfs/dbraw/zinc/16/32/48/386163248.db2.gz BTLFMYRSSFKPBK-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN CCOc1ccccc1CNC(=O)C(F)(F)F ZINC000263668904 386164212 /nfs/dbraw/zinc/16/42/12/386164212.db2.gz KKJVPIOEEJNKPS-UHFFFAOYSA-N 0 1 247.216 2.264 20 0 BEADMN CC(C)(C(=O)NCc1ccsc1)c1cnc[nH]1 ZINC000346146822 386167627 /nfs/dbraw/zinc/16/76/27/386167627.db2.gz FIXXLGSXNYXRHS-UHFFFAOYSA-N 0 1 249.339 2.065 20 0 BEADMN C[C@@H](N[C@H](C)C1CCCC1)c1ncn(C)n1 ZINC000336753771 386171892 /nfs/dbraw/zinc/17/18/92/386171892.db2.gz WQOMHINXVXDPBK-NXEZZACHSA-N 0 1 222.336 2.044 20 0 BEADMN Fc1ccc2c(c1)nccc2N1CCO[C@H]2C[C@H]21 ZINC000366188793 386173267 /nfs/dbraw/zinc/17/32/67/386173267.db2.gz SFMFQKKRPDOTQM-KGLIPLIRSA-N 0 1 244.269 2.351 20 0 BEADMN CC/C=C/CN[C@H](CC)c1nccn1C ZINC000296440829 386174311 /nfs/dbraw/zinc/17/43/11/386174311.db2.gz MHJUREIHLOEPND-XUIVZRPNSA-N 0 1 207.321 2.427 20 0 BEADMN CN(CC(C)(C)C)[C@@H](C(N)=O)c1ccccc1 ZINC000263790183 386176829 /nfs/dbraw/zinc/17/68/29/386176829.db2.gz NGDXZPXIUUADHZ-GFCCVEGCSA-N 0 1 234.343 2.191 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000263815349 386180687 /nfs/dbraw/zinc/18/06/87/386180687.db2.gz KPHXLWAEOAHGRR-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000263889998 386187568 /nfs/dbraw/zinc/18/75/68/386187568.db2.gz ZRDJFMOVZYSOCM-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN Cc1ccc(C)c([C@@H](C)N(C)CC(=O)N(C)C)c1 ZINC000346277158 386188840 /nfs/dbraw/zinc/18/88/40/386188840.db2.gz VUPDONGWFFIJBS-CYBMUJFWSA-N 0 1 248.370 2.384 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000224283109 386132173 /nfs/dbraw/zinc/13/21/73/386132173.db2.gz UADKMCPHEDBKHO-WCQYABFASA-N 0 1 233.311 2.037 20 0 BEADMN CCCCN(Cc1cncnc1OC)C1CC1 ZINC000648001514 386201028 /nfs/dbraw/zinc/20/10/28/386201028.db2.gz VUIQDENMPFTJOY-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN C[C@H](CF)NCc1cc2ccccc2[nH]c1=O ZINC000288442069 386202331 /nfs/dbraw/zinc/20/23/31/386202331.db2.gz MBDDHZPYDRNWCN-SECBINFHSA-N 0 1 234.274 2.388 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)C[C@@H](C)O1 ZINC000347049773 386204538 /nfs/dbraw/zinc/20/45/38/386204538.db2.gz INMJUJYXSFTOQJ-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN COC[C@H](N[C@@H](C)c1cc(C)on1)C1CC1 ZINC000282795684 386205272 /nfs/dbraw/zinc/20/52/72/386205272.db2.gz QLMAHJNUVYTDJJ-CABZTGNLSA-N 0 1 224.304 2.059 20 0 BEADMN CN[C@@H](C)c1cn(Cc2cc(C)ccc2C)nn1 ZINC000311117569 386205507 /nfs/dbraw/zinc/20/55/07/386205507.db2.gz WTQUCTYYJOZURY-LBPRGKRZSA-N 0 1 244.342 2.224 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CC1CCC1 ZINC000097989271 386206721 /nfs/dbraw/zinc/20/67/21/386206721.db2.gz CFQMCGFMWVSMMD-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CCC1CC1 ZINC000097989276 386207704 /nfs/dbraw/zinc/20/77/04/386207704.db2.gz FYCLWVXYGJAROP-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000347062195 386208982 /nfs/dbraw/zinc/20/89/82/386208982.db2.gz WVVRNYUPSQZOIL-VXGBXAGGSA-N 0 1 236.363 2.388 20 0 BEADMN CCc1ncc(CN(CC)C[C@@H]2CCCO2)cn1 ZINC000414378722 386209500 /nfs/dbraw/zinc/20/95/00/386209500.db2.gz HNFSKGRKROJATD-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN CC[C@H](O)CN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000339060076 386230682 /nfs/dbraw/zinc/23/06/82/386230682.db2.gz SBRADLYASWQCDG-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2CCO)c(C)s1 ZINC000336649423 386260372 /nfs/dbraw/zinc/26/03/72/386260372.db2.gz GXWSIXMTGWGNGW-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN CCN(C)[C@H](C(=O)NC1CCC1)c1ccccc1 ZINC000264483373 386241716 /nfs/dbraw/zinc/24/17/16/386241716.db2.gz YIZMWLLXLHASLH-AWEZNQCLSA-N 0 1 246.354 2.348 20 0 BEADMN Cc1n[nH]c(C(=O)NCC(C)(C)C(C)C)c1C ZINC000275856361 386247071 /nfs/dbraw/zinc/24/70/71/386247071.db2.gz NJADVBRQNXTARL-UHFFFAOYSA-N 0 1 237.347 2.439 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@H](C)C1 ZINC000288997499 386249331 /nfs/dbraw/zinc/24/93/31/386249331.db2.gz DSCPBZABFMBNHQ-CYBMUJFWSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)[C@H]1CC1(C)C ZINC000416274315 386251758 /nfs/dbraw/zinc/25/17/58/386251758.db2.gz IQFMBIZQKSJEPJ-VXGBXAGGSA-N 0 1 249.358 2.202 20 0 BEADMN CO[C@@H]1CN(Cc2cncc(F)c2)CC[C@@H]1C ZINC000275961529 386255874 /nfs/dbraw/zinc/25/58/74/386255874.db2.gz KINCDZVGOWKWEK-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN CCc1ccc(CN2CC[C@@H](O)C(C)(C)C2)o1 ZINC000275985339 386257209 /nfs/dbraw/zinc/25/72/09/386257209.db2.gz MYUVQVGBNBCTAT-CYBMUJFWSA-N 0 1 237.343 2.435 20 0 BEADMN CCc1ccc(CN2CC[C@H](O)C(C)(C)C2)o1 ZINC000275985344 386257929 /nfs/dbraw/zinc/25/79/29/386257929.db2.gz MYUVQVGBNBCTAT-ZDUSSCGKSA-N 0 1 237.343 2.435 20 0 BEADMN C[C@H](NCc1ccccc1N(C)C)c1cn[nH]c1 ZINC000275206834 386192200 /nfs/dbraw/zinc/19/22/00/386192200.db2.gz RKHBYADWYSRXPF-NSHDSACASA-N 0 1 244.342 2.327 20 0 BEADMN C[C@@H](CF)NCc1ccc(N2CCCC2)nc1 ZINC000288385694 386192545 /nfs/dbraw/zinc/19/25/45/386192545.db2.gz GMVGEKHXMRBGOZ-NSHDSACASA-N 0 1 237.322 2.129 20 0 BEADMN CN(CC(=O)NC1CC1)[C@@H]1C=CCCCCC1 ZINC000340279699 386193647 /nfs/dbraw/zinc/19/36/47/386193647.db2.gz QMWUKVMMNLRZKY-CYBMUJFWSA-N 0 1 236.359 2.086 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ccc(F)cn2)C1 ZINC000296694068 386194900 /nfs/dbraw/zinc/19/49/00/386194900.db2.gz MBYAKNANFBWTMT-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN CCN(CC(=O)N1CCCC12CCC2)C1CC1 ZINC000365598863 386196395 /nfs/dbraw/zinc/19/63/95/386196395.db2.gz LUMKILQYOHKQIW-UHFFFAOYSA-N 0 1 236.359 2.016 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCC2)c1 ZINC000263966449 386198020 /nfs/dbraw/zinc/19/80/20/386198020.db2.gz GMTYJUDMPAQNBL-UHFFFAOYSA-N 0 1 243.310 2.497 20 0 BEADMN CCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288437868 386198899 /nfs/dbraw/zinc/19/88/99/386198899.db2.gz ORIGPYUDXKIONO-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CC(=O)c1cccc(CN2CCC(C)(O)CC2)c1 ZINC000296785605 386199523 /nfs/dbraw/zinc/19/95/23/386199523.db2.gz NQRMMHXYHPKEEL-UHFFFAOYSA-N 0 1 247.338 2.236 20 0 BEADMN CC(C)COCCN[C@@H](C)c1nccs1 ZINC000093402207 386199544 /nfs/dbraw/zinc/19/95/44/386199544.db2.gz OIPREPWUDYARIT-JTQLQIEISA-N 0 1 228.361 2.466 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@H]1CC12CC2 ZINC000643314977 386199593 /nfs/dbraw/zinc/19/95/93/386199593.db2.gz CBIGGWJTZAYNMZ-MRVPVSSYSA-N 0 1 245.257 2.441 20 0 BEADMN COC[C@@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000336665860 386288914 /nfs/dbraw/zinc/28/89/14/386288914.db2.gz PSZTXMOANHIYCC-MRVPVSSYSA-N 0 1 223.238 2.216 20 0 BEADMN F[C@@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC000628326500 386290499 /nfs/dbraw/zinc/29/04/99/386290499.db2.gz JJZXRJIQYPPTBD-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN CCCCOCCN1C[C@H](C)OC[C@@H]1CC ZINC000340589331 386293167 /nfs/dbraw/zinc/29/31/67/386293167.db2.gz YWPMYLZGCJATCI-STQMWFEESA-N 0 1 229.364 2.302 20 0 BEADMN CN(CCOCC(F)(F)F)Cc1ccoc1 ZINC000336666163 386293374 /nfs/dbraw/zinc/29/33/74/386293374.db2.gz FUUOSQIQXMGECQ-UHFFFAOYSA-N 0 1 237.221 2.290 20 0 BEADMN c1c[nH]c(CN[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000164780857 386296625 /nfs/dbraw/zinc/29/66/25/386296625.db2.gz WAUPVDXODAMDJA-NEPJUHHUSA-N 0 1 219.332 2.468 20 0 BEADMN CCOCCOCCN(C)Cc1occc1C ZINC000276274237 386296598 /nfs/dbraw/zinc/29/65/98/386296598.db2.gz YJKAGPQVNTWRHO-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cc(-c2cnn(C)c2)no1 ZINC000335264847 386297224 /nfs/dbraw/zinc/29/72/24/386297224.db2.gz KKYSCYYZIUXTHA-UWVGGRQHSA-N 0 1 246.314 2.058 20 0 BEADMN Cc1cnn(CCN(C)CCC(F)(F)F)c1 ZINC000336667795 386297609 /nfs/dbraw/zinc/29/76/09/386297609.db2.gz PDQPUIDUQNPUNX-UHFFFAOYSA-N 0 1 235.253 2.076 20 0 BEADMN CCc1ncc(CN2CC[C@@H]2C(C)C)cn1 ZINC000414401339 386299229 /nfs/dbraw/zinc/29/92/29/386299229.db2.gz NRYDWNFCWFEPSM-GFCCVEGCSA-N 0 1 219.332 2.269 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)NCCN1CC=CCC1 ZINC000347274046 386313579 /nfs/dbraw/zinc/31/35/79/386313579.db2.gz YNGNOUBCILIQGF-QWHCGFSZSA-N 0 1 238.375 2.047 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](C)C2)c1C ZINC000265206071 386315521 /nfs/dbraw/zinc/31/55/21/386315521.db2.gz KGYGZWZAJMDWQY-KCJUWKMLSA-N 0 1 235.331 2.335 20 0 BEADMN Cc1ccc(CNC(=O)c2[nH]nc(C)c2C)s1 ZINC000265200158 386316510 /nfs/dbraw/zinc/31/65/10/386316510.db2.gz JCVAWOACYHQQGM-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2CCCCC2)c1C ZINC000265237517 386320751 /nfs/dbraw/zinc/32/07/51/386320751.db2.gz IPKKJTJMUBYOFV-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CCOC1 ZINC000265260126 386321813 /nfs/dbraw/zinc/32/18/13/386321813.db2.gz YCZRSMXHXGUHKL-HIFRSBDPSA-N 0 1 247.338 2.021 20 0 BEADMN CN(C[C@@H]1OCCc2ccccc21)[C@@H]1CCOC1 ZINC000265260126 386321818 /nfs/dbraw/zinc/32/18/18/386321818.db2.gz YCZRSMXHXGUHKL-HIFRSBDPSA-N 0 1 247.338 2.021 20 0 BEADMN CCN1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425521224 386322315 /nfs/dbraw/zinc/32/23/15/386322315.db2.gz JUDKLRDHMXOCBD-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](N[C@H]1CN(C2CC2)C[C@H]1C)C(C)(F)F ZINC000453281780 386323268 /nfs/dbraw/zinc/32/32/68/386323268.db2.gz HSUDZVBAFVBCRQ-KKZNHRDASA-N 0 1 232.318 2.102 20 0 BEADMN CC(=O)c1cccc(CN(C)[C@H]2CCOC2)c1 ZINC000297498665 386262179 /nfs/dbraw/zinc/26/21/79/386262179.db2.gz MYFUUCCMVXDPMD-AWEZNQCLSA-N 0 1 233.311 2.110 20 0 BEADMN Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)co1 ZINC000188152047 386263935 /nfs/dbraw/zinc/26/39/35/386263935.db2.gz QZZCGAXLTJCJOI-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)[C@@H](C)[C@H](C)O1 ZINC000347182271 386272716 /nfs/dbraw/zinc/27/27/16/386272716.db2.gz KNAQFSSCFMOFTA-WOPDTQHZSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]2C2CCC2)[nH]1 ZINC000264836657 386274304 /nfs/dbraw/zinc/27/43/04/386274304.db2.gz HWCBARCPJKTRRR-GFCCVEGCSA-N 0 1 233.315 2.123 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000416320187 386277354 /nfs/dbraw/zinc/27/73/54/386277354.db2.gz OTONBCMVDFVQGT-KXUCPTDWSA-N 0 1 247.342 2.404 20 0 BEADMN COCc1cc(CNCC(C)(C)SC)no1 ZINC000297775603 386278418 /nfs/dbraw/zinc/27/84/18/386278418.db2.gz VVGSJSNTINXYQG-UHFFFAOYSA-N 0 1 244.360 2.052 20 0 BEADMN Cc1cc(CN(C)[C@H](C)C2(C)CC2)nn1C ZINC000336683127 386340639 /nfs/dbraw/zinc/34/06/39/386340639.db2.gz SKJQKMWHMXCMMT-LLVKDONJSA-N 0 1 221.348 2.349 20 0 BEADMN COC[C@H]1CCN1C/C=C\c1ccccc1 ZINC000339290622 386342252 /nfs/dbraw/zinc/34/22/52/386342252.db2.gz LAUHXYJOPKKSEN-BMWLXYDHSA-N 0 1 217.312 2.421 20 0 BEADMN CCCCN(C(=O)c1cnc[nH]1)[C@H](C)CC ZINC000265486173 386345505 /nfs/dbraw/zinc/34/55/05/386345505.db2.gz BCXGUJDJLZNTDV-SNVBAGLBSA-N 0 1 223.320 2.451 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1nccs1 ZINC000298451825 386346429 /nfs/dbraw/zinc/34/64/29/386346429.db2.gz HHHBHNUGEDSANH-VIFPVBQESA-N 0 1 241.360 2.202 20 0 BEADMN CCN(C)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000298461079 386350154 /nfs/dbraw/zinc/35/01/54/386350154.db2.gz LYRXESGBTAPPAG-GFCCVEGCSA-N 0 1 234.343 2.158 20 0 BEADMN Cc1c[nH]nc1CNCc1ccc([C@@H](C)O)cc1 ZINC000289783573 386354411 /nfs/dbraw/zinc/35/44/11/386354411.db2.gz HGWHQSAFGNYRBM-LLVKDONJSA-N 0 1 245.326 2.061 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C)(C)CC1 ZINC000339297529 386355931 /nfs/dbraw/zinc/35/59/31/386355931.db2.gz VCTXUDQGRQQRJJ-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cnns2)C1 ZINC000336685257 386358335 /nfs/dbraw/zinc/35/83/35/386358335.db2.gz KQNVYTUOGVCEMK-BBBLOLIVSA-N 0 1 225.361 2.405 20 0 BEADMN CC[C@H](c1ccncc1)N(C)C(=O)c1cnc[nH]1 ZINC000265701954 386362742 /nfs/dbraw/zinc/36/27/42/386362742.db2.gz VEZDTOHAHHQDCY-GFCCVEGCSA-N 0 1 244.298 2.028 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)CC2)on1 ZINC000276868669 386386979 /nfs/dbraw/zinc/38/69/79/386386979.db2.gz CJSMYXRPSBNYGG-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN C[C@@H](CCc1ccco1)N[C@@H](C)c1ncnn1C ZINC000276714129 386367928 /nfs/dbraw/zinc/36/79/28/386367928.db2.gz XASRUPXNNIVOPU-QWRGUYRKSA-N 0 1 248.330 2.080 20 0 BEADMN CCCc1noc(CN2C[C@@H](C)C[C@@H]2C)n1 ZINC000336695537 386374106 /nfs/dbraw/zinc/37/41/06/386374106.db2.gz GKNBEFJDRVLNLN-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN CCO[C@H](C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276813656 386378215 /nfs/dbraw/zinc/37/82/15/386378215.db2.gz UJEDAROPQLJGKX-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)OCCO2 ZINC000289973359 386378762 /nfs/dbraw/zinc/37/87/62/386378762.db2.gz RHLLNAWRWDKACM-UHFFFAOYSA-N 0 1 245.282 2.101 20 0 BEADMN C[C@H](NCC1(C)OCCCO1)c1ccco1 ZINC000190649010 386379506 /nfs/dbraw/zinc/37/95/06/386379506.db2.gz DOLCGIUWGWMHRA-JTQLQIEISA-N 0 1 225.288 2.083 20 0 BEADMN CCN(C)[C@H](C(=O)NC(C)C)c1ccccc1 ZINC000298764293 386382819 /nfs/dbraw/zinc/38/28/19/386382819.db2.gz DOKOEIOSFDJSHY-ZDUSSCGKSA-N 0 1 234.343 2.204 20 0 BEADMN c1csc([C@@H]2CCCN2CC2OCCO2)c1 ZINC000265898361 386383653 /nfs/dbraw/zinc/38/36/53/386383653.db2.gz NOTFEOOVZMKDFJ-JTQLQIEISA-N 0 1 239.340 2.258 20 0 BEADMN c1cnn(CC[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000336699073 386384684 /nfs/dbraw/zinc/38/46/84/386384684.db2.gz KVFBJKUVCOXSPV-AWEZNQCLSA-N 0 1 227.311 2.330 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000336683325 386331355 /nfs/dbraw/zinc/33/13/55/386331355.db2.gz DNLBDVYGYGYNGC-LLVKDONJSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1ccc(CNC(=O)C(F)(F)F)s1 ZINC000226569589 386334717 /nfs/dbraw/zinc/33/47/17/386334717.db2.gz MRHHNTRPYYCINL-UHFFFAOYSA-N 0 1 237.246 2.489 20 0 BEADMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(C)on1 ZINC000336684378 386334988 /nfs/dbraw/zinc/33/49/88/386334988.db2.gz FBZGNHBZBJFJMR-STQMWFEESA-N 0 1 238.331 2.108 20 0 BEADMN CN(C)[C@@H](CNc1cnccn1)c1ccsc1 ZINC000298406555 386337752 /nfs/dbraw/zinc/33/77/52/386337752.db2.gz HRKAVELQFBWZOM-NSHDSACASA-N 0 1 248.355 2.253 20 0 BEADMN CC(F)(F)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000277460090 386437020 /nfs/dbraw/zinc/43/70/20/386437020.db2.gz YHBDQCWDJLGDLW-UHFFFAOYSA-N 0 1 244.245 2.056 20 0 BEADMN CC(F)(F)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000277460090 386437026 /nfs/dbraw/zinc/43/70/26/386437026.db2.gz YHBDQCWDJLGDLW-UHFFFAOYSA-N 0 1 244.245 2.056 20 0 BEADMN CC(C)c1ccc([C@@H](C)[N@@H+](C)CC(N)=O)cc1 ZINC000299401364 386449018 /nfs/dbraw/zinc/44/90/18/386449018.db2.gz VZGBEMHQSCQQTM-LLVKDONJSA-N 0 1 234.343 2.288 20 0 BEADMN CC(C)c1ccc([C@@H](C)N(C)CC(N)=O)cc1 ZINC000299401364 386449024 /nfs/dbraw/zinc/44/90/24/386449024.db2.gz VZGBEMHQSCQQTM-LLVKDONJSA-N 0 1 234.343 2.288 20 0 BEADMN COC(C)(C)[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000453338085 386449581 /nfs/dbraw/zinc/44/95/81/386449581.db2.gz FTEUKAUXBBWQIF-DCAQKATOSA-N 0 1 237.347 2.292 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000265991147 386388751 /nfs/dbraw/zinc/38/87/51/386388751.db2.gz FUOQGGIAHQIRIS-PHIMTYICSA-N 0 1 249.310 2.154 20 0 BEADMN CC1(C)C(NC(=O)[C@@H](N)c2ccccc2)C1(C)C ZINC000092818256 386390660 /nfs/dbraw/zinc/39/06/60/386390660.db2.gz ULEDWVFQARWDHU-NSHDSACASA-N 0 1 246.354 2.237 20 0 BEADMN Cc1nocc1CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000339373495 386392431 /nfs/dbraw/zinc/39/24/31/386392431.db2.gz GTQVCBJNJDLMMJ-AWEZNQCLSA-N 0 1 249.358 2.090 20 0 BEADMN CC[C@@H](NCCC(=O)OC)c1nc(C)cs1 ZINC000298971379 386400379 /nfs/dbraw/zinc/40/03/79/386400379.db2.gz PDIQDPUPEHSCOS-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN CC(C)C[C@H](N)c1noc(C2CCOCC2)n1 ZINC000339391765 386403124 /nfs/dbraw/zinc/40/31/24/386403124.db2.gz CVLSMFDKPQBYMB-JTQLQIEISA-N 0 1 239.319 2.010 20 0 BEADMN CCOC1CC([N@@H+](C)Cc2c(C)noc2C)C1 ZINC000347441516 386403501 /nfs/dbraw/zinc/40/35/01/386403501.db2.gz DAZLUOZDTCYVFO-UHFFFAOYSA-N 0 1 238.331 2.291 20 0 BEADMN CCOC1CC(N(C)Cc2c(C)noc2C)C1 ZINC000347441516 386403505 /nfs/dbraw/zinc/40/35/05/386403505.db2.gz DAZLUOZDTCYVFO-UHFFFAOYSA-N 0 1 238.331 2.291 20 0 BEADMN CCCc1csc(C[NH2+]C(C)(C)C(=O)[O-])n1 ZINC000417576692 386403774 /nfs/dbraw/zinc/40/37/74/386403774.db2.gz KOIJGMVZVULOFK-UHFFFAOYSA-N 0 1 242.344 2.048 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCCS2)nn1C ZINC000414428322 386411019 /nfs/dbraw/zinc/41/10/19/386411019.db2.gz GQEITVZBXFOSMN-LBPRGKRZSA-N 0 1 239.388 2.104 20 0 BEADMN CCc1cc(C(=O)N2CCC(C(C)C)CC2)n[nH]1 ZINC000266246714 386416588 /nfs/dbraw/zinc/41/65/88/386416588.db2.gz REZJPYXLLGMSTL-UHFFFAOYSA-N 0 1 249.358 2.480 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1cscn1 ZINC000274777951 386418768 /nfs/dbraw/zinc/41/87/68/386418768.db2.gz JQXBHYOYZBRUHQ-FXPVBKGRSA-N 0 1 226.345 2.097 20 0 BEADMN Cc1cn[nH]c1CN1CCc2cccc(F)c2C1 ZINC000290313383 386419681 /nfs/dbraw/zinc/41/96/81/386419681.db2.gz ASDWTWFBKKEPLE-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CCOC[C@H]1CCCN(Cc2cnc(C)cn2)C1 ZINC000336714866 386432292 /nfs/dbraw/zinc/43/22/92/386432292.db2.gz QTKHGZNRQFZWHZ-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN CN(Cc1ccnn1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000347473499 386432629 /nfs/dbraw/zinc/43/26/29/386432629.db2.gz XRWKYTCWKQKJER-LSDHHAIUSA-N 0 1 241.338 2.408 20 0 BEADMN COC(=O)CN(C)C[C@H]1C(C)=CCC[C@H]1C ZINC000191050075 386466857 /nfs/dbraw/zinc/46/68/57/386466857.db2.gz RTXOFUUVKXAGNX-NEPJUHHUSA-N 0 1 225.332 2.084 20 0 BEADMN COC(=O)CN(C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000191050117 386467331 /nfs/dbraw/zinc/46/73/31/386467331.db2.gz RTXOFUUVKXAGNX-NWDGAFQWSA-N 0 1 225.332 2.084 20 0 BEADMN CN(CC1CCC1)C(=O)[C@](C)(N)c1ccccc1 ZINC000061480547 386468625 /nfs/dbraw/zinc/46/86/25/386468625.db2.gz OWUNIDHULQMCTP-OAHLLOKOSA-N 0 1 246.354 2.119 20 0 BEADMN CCOc1cccc(CN2C[C@@H](C)[C@@H]2C)n1 ZINC000339570653 386470222 /nfs/dbraw/zinc/47/02/22/386470222.db2.gz XVROISKPNIFJIV-MNOVXSKESA-N 0 1 220.316 2.321 20 0 BEADMN CCn1cc([C@H](C)NCc2ccnc(C)c2)cn1 ZINC000391194746 386472637 /nfs/dbraw/zinc/47/26/37/386472637.db2.gz REDYDQBNZWJFNB-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCC[C@H](C(=O)OCC)N1C[C@H](C)[C@H]1C ZINC000339560434 386475564 /nfs/dbraw/zinc/47/55/64/386475564.db2.gz AYAXLUAJNNJLMD-HBNTYKKESA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)n1nccc1CN[C@@H]1CCC[C@H]1F ZINC000339588431 386480070 /nfs/dbraw/zinc/48/00/70/386480070.db2.gz XOQNRZZEXLLHBA-VXGBXAGGSA-N 0 1 225.311 2.444 20 0 BEADMN Cc1nn(C)cc1CN1CC2(C1)CCCC2 ZINC000335428094 386482550 /nfs/dbraw/zinc/48/25/50/386482550.db2.gz XJNUSODOPVVYDG-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@@H]1C ZINC000339582084 386486110 /nfs/dbraw/zinc/48/61/10/386486110.db2.gz OUZCXYXEGVFAPX-WOPDTQHZSA-N 0 1 238.375 2.164 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1CC=C(C)CC1 ZINC000339628379 386494994 /nfs/dbraw/zinc/49/49/94/386494994.db2.gz OPQNDYYGXMKGFJ-STQMWFEESA-N 0 1 238.375 2.332 20 0 BEADMN Cn1cccc1CN1CCOC[C@@H]1C1CCC1 ZINC000335441173 386502171 /nfs/dbraw/zinc/50/21/71/386502171.db2.gz HGXGNOAYBSGWFK-CQSZACIVSA-N 0 1 234.343 2.026 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1C(=O)[O-] ZINC000335445431 386509286 /nfs/dbraw/zinc/50/92/86/386509286.db2.gz WOLGZXDPHWPDKQ-MWLCHTKSSA-N 0 1 239.340 2.291 20 0 BEADMN Cc1cnn(CCN(C)Cc2cccc(C)n2)c1 ZINC000336787164 386510698 /nfs/dbraw/zinc/51/06/98/386510698.db2.gz KXTRBYBFVQQZMB-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN CCN(Cc1c(C)nsc1C)[C@H]1CCOC1 ZINC000519641494 386514744 /nfs/dbraw/zinc/51/47/44/386514744.db2.gz GGNOEQGONFDMQZ-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000525865081 386515127 /nfs/dbraw/zinc/51/51/27/386515127.db2.gz YFKJACSKUCOZSI-SECBINFHSA-N 0 1 246.314 2.074 20 0 BEADMN Cn1ccnc1CN1CC[C@@H](CC2CC2)C1 ZINC000339675651 386515142 /nfs/dbraw/zinc/51/51/42/386515142.db2.gz FSXVANFGFNGTCG-LBPRGKRZSA-N 0 1 219.332 2.042 20 0 BEADMN CC[C@]1(C)CN(Cc2cccc(N)c2)CCO1 ZINC000647972246 386519987 /nfs/dbraw/zinc/51/99/87/386519987.db2.gz SFLGEAXXSHOGJH-CQSZACIVSA-N 0 1 234.343 2.270 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)CC2(CCC2)O1 ZINC000335449483 386520453 /nfs/dbraw/zinc/52/04/53/386520453.db2.gz MPDLCQXUJRIMSI-GFCCVEGCSA-N 0 1 234.343 2.169 20 0 BEADMN CC(C)[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000335454567 386530642 /nfs/dbraw/zinc/53/06/42/386530642.db2.gz SXXYXSVNSPLUQX-RYUDHWBXSA-N 0 1 236.363 2.244 20 0 BEADMN CCN(Cc1ccoc1C)[C@H]1CCOC1 ZINC000414450011 386527481 /nfs/dbraw/zinc/52/74/81/386527481.db2.gz FMJXLJUGCAUZHU-LBPRGKRZSA-N 0 1 209.289 2.199 20 0 BEADMN CCCc1ncc(CN[C@H](C)[C@H]2CCCO2)o1 ZINC000453384829 386527916 /nfs/dbraw/zinc/52/79/16/386527916.db2.gz NFPOHMZJXMNRDQ-ZYHUDNBSSA-N 0 1 238.331 2.284 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347580379 386457196 /nfs/dbraw/zinc/45/71/96/386457196.db2.gz GBBYLNIFJIQJJI-LLVKDONJSA-N 0 1 224.352 2.479 20 0 BEADMN Cc1nc(CN(C)CCCCCO)sc1C ZINC000227114832 386461104 /nfs/dbraw/zinc/46/11/04/386461104.db2.gz FZZCSFWHRDIQHA-UHFFFAOYSA-N 0 1 242.388 2.354 20 0 BEADMN C[C@H](CNC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000299530262 386465488 /nfs/dbraw/zinc/46/54/88/386465488.db2.gz NBDSGXLFOOFWEU-OCCSQVGLSA-N 0 1 246.354 2.001 20 0 BEADMN COCc1cc(CN[C@H]2CCC[C@H](F)C2)no1 ZINC000648048615 386579993 /nfs/dbraw/zinc/57/99/93/386579993.db2.gz USUFMEVOYWKZEC-UWVGGRQHSA-N 0 1 242.294 2.191 20 0 BEADMN Cc1cc(CN(C)CCc2ccccc2)n(C)n1 ZINC000417703658 386580415 /nfs/dbraw/zinc/58/04/15/386580415.db2.gz PJVBKHZJXDMQRY-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H]2CCC[C@@H]21 ZINC000335418015 386587694 /nfs/dbraw/zinc/58/76/94/386587694.db2.gz NBPDNVYKBZGBAM-GJZGRUSLSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1nccc(N[C@H](CO)CC(C)C)c1Cl ZINC000336644554 386592571 /nfs/dbraw/zinc/59/25/71/386592571.db2.gz CHGDJCOEPUWCQI-JTQLQIEISA-N 0 1 242.750 2.284 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000124006717 386594382 /nfs/dbraw/zinc/59/43/82/386594382.db2.gz UMPHVOCFIHUXGO-HNNXBMFYSA-N 0 1 248.370 2.413 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCc2ccccc2)C1 ZINC000062935740 386531566 /nfs/dbraw/zinc/53/15/66/386531566.db2.gz IMGWMZYUXVVDHV-HNNXBMFYSA-N 0 1 247.338 2.416 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCCC[C@@H]2C)cc1 ZINC000228075659 386537340 /nfs/dbraw/zinc/53/73/40/386537340.db2.gz NJXPROADJLVUSA-GXTWGEPZSA-N 0 1 246.354 2.396 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC[C@@H]2C)cc1 ZINC000228085800 386542511 /nfs/dbraw/zinc/54/25/11/386542511.db2.gz YVNMYSDQHRBOPH-AAEUAGOBSA-N 0 1 232.327 2.006 20 0 BEADMN Cn1cc(CN2CC[C@H](CC(F)(F)F)C2)cn1 ZINC000278561793 386548289 /nfs/dbraw/zinc/54/82/89/386548289.db2.gz BMKZVKVTOXENIV-SECBINFHSA-N 0 1 247.264 2.194 20 0 BEADMN Cc1cnccc1CCN1CC[C@](C)(F)C1 ZINC000335463341 386548395 /nfs/dbraw/zinc/54/83/95/386548395.db2.gz QYXKTPZTAOERPD-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1cccs1 ZINC001645308528 1172652298 /nfs/dbraw/zinc/65/22/98/1172652298.db2.gz BDRKYCWXFQWKAQ-SNAWJCMRSA-N 0 1 247.323 2.143 20 0 BEADMN CC[C@@H](NCC=C(C)C)c1ccn(C)n1 ZINC000336756171 386556294 /nfs/dbraw/zinc/55/62/94/386556294.db2.gz IODXGQQPBQGBNX-LLVKDONJSA-N 0 1 207.321 2.427 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000291532441 386556853 /nfs/dbraw/zinc/55/68/53/386556853.db2.gz KJSSUKCRKATROF-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCS[C@@H](C)CC1 ZINC000291532441 386556859 /nfs/dbraw/zinc/55/68/59/386556859.db2.gz KJSSUKCRKATROF-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN Cc1c[nH]nc1CN1CCS[C@@H](C)CC1 ZINC000291532441 386556867 /nfs/dbraw/zinc/55/68/67/386556867.db2.gz KJSSUKCRKATROF-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN CCCc1nc(CN[C@@H](C)[C@@H](C)CO)cs1 ZINC000336780572 386557212 /nfs/dbraw/zinc/55/72/12/386557212.db2.gz RREFNMUSWHQUAY-UWVGGRQHSA-N 0 1 242.388 2.202 20 0 BEADMN Cn1cccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000291566681 386557522 /nfs/dbraw/zinc/55/75/22/386557522.db2.gz NMLBPAAGGXTYNO-KGLIPLIRSA-N 0 1 248.370 2.415 20 0 BEADMN COC[C@H](N[C@@H]1COC(C)(C)C1)c1ccco1 ZINC000417933423 386560063 /nfs/dbraw/zinc/56/00/63/386560063.db2.gz DUGIOOTWDSHZIH-QWRGUYRKSA-N 0 1 239.315 2.124 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000291616459 386561066 /nfs/dbraw/zinc/56/10/66/386561066.db2.gz RJDNBDLXNOFAIP-ZDUSSCGKSA-N 0 1 245.330 2.168 20 0 BEADMN CCOc1ccc(C[N@H+]2CC[C@H](OC)C2)cc1 ZINC000267628737 386563985 /nfs/dbraw/zinc/56/39/85/386563985.db2.gz GHDXPHGZMLZULQ-AWEZNQCLSA-N 0 1 235.327 2.306 20 0 BEADMN CC(C)=CCN1CCO[C@]2(CCSC2)C1 ZINC000335406522 386565248 /nfs/dbraw/zinc/56/52/48/386565248.db2.gz FBFGGRCLZQEBOQ-GFCCVEGCSA-N 0 1 227.373 2.161 20 0 BEADMN Cc1noc([C@@H](C)NCCCCCF)n1 ZINC000336756497 386568810 /nfs/dbraw/zinc/56/88/10/386568810.db2.gz JLLGVUAFBYLMDK-MRVPVSSYSA-N 0 1 215.272 2.168 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000267680444 386571483 /nfs/dbraw/zinc/57/14/83/386571483.db2.gz PGSDFGVAXLWOIP-UWVGGRQHSA-N 0 1 235.331 2.261 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2CC(C)C)nn1C ZINC000414455569 386572840 /nfs/dbraw/zinc/57/28/40/386572840.db2.gz CIMUQPIOKZUNEK-DGCLKSJQSA-N 0 1 221.348 2.253 20 0 BEADMN CN(C)Cc1ccsc1C(=O)NC1CCC1 ZINC000268141876 386625812 /nfs/dbraw/zinc/62/58/12/386625812.db2.gz QBKKFILLLGVBET-UHFFFAOYSA-N 0 1 238.356 2.092 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268173131 386629567 /nfs/dbraw/zinc/62/95/67/386629567.db2.gz TXNHOYNPBWGBSD-QWRGUYRKSA-N 0 1 249.358 2.333 20 0 BEADMN CCC[C@H]1C(=O)NCCN1CCCC(C)(C)C ZINC000337172532 386631789 /nfs/dbraw/zinc/63/17/89/386631789.db2.gz FLPKXTFXCSHTQY-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335505533 386636650 /nfs/dbraw/zinc/63/66/50/386636650.db2.gz UPSLUTGDGHOLGM-QMMMGPOBSA-N 0 1 247.273 2.327 20 0 BEADMN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000279144823 386639005 /nfs/dbraw/zinc/63/90/05/386639005.db2.gz ZNYRANFPIPFDOH-WPRPVWTQSA-N 0 1 248.330 2.296 20 0 BEADMN C[C@H]1CN(C(=O)C(C)(C)C2CCCC2)CCN1 ZINC000335509380 386642895 /nfs/dbraw/zinc/64/28/95/386642895.db2.gz HAHMVQMTXXKZLF-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC000292333830 386654253 /nfs/dbraw/zinc/65/42/53/386654253.db2.gz CHRLFMYYMOKRIM-NSHDSACASA-N 0 1 205.305 2.017 20 0 BEADMN Nc1cc(C[N@H+]2CCc3ccsc3C2)ccn1 ZINC000278874528 386600954 /nfs/dbraw/zinc/60/09/54/386600954.db2.gz OPLFDTHGOSFSOZ-UHFFFAOYSA-N 0 1 245.351 2.284 20 0 BEADMN Nc1cc(CN2CCc3ccsc3C2)ccn1 ZINC000278874528 386600961 /nfs/dbraw/zinc/60/09/61/386600961.db2.gz OPLFDTHGOSFSOZ-UHFFFAOYSA-N 0 1 245.351 2.284 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1nccn1C ZINC000187846005 386605353 /nfs/dbraw/zinc/60/53/53/386605353.db2.gz SJQRNSSZJRNYTP-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cnc(CN(C)CCCCCO)s1 ZINC000278985581 386614800 /nfs/dbraw/zinc/61/48/00/386614800.db2.gz ZTOCZAFEXJKHHV-UHFFFAOYSA-N 0 1 228.361 2.046 20 0 BEADMN Cc1nc(C[S@@](=O)c2ccc(C)c(C)c2)n[nH]1 ZINC000292074131 386617711 /nfs/dbraw/zinc/61/77/11/386617711.db2.gz LPBWGQLWNZYUME-QGZVFWFLSA-N 0 1 249.339 2.038 20 0 BEADMN CN(C(=O)c1cc(C2CC2)[nH]n1)C(C)(C)C ZINC000335521314 386661352 /nfs/dbraw/zinc/66/13/52/386661352.db2.gz OIHOKVRGPWYHPJ-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN Cc1cnc(CN2CCCO[C@H](C(C)C)C2)cn1 ZINC000339823538 386667377 /nfs/dbraw/zinc/66/73/77/386667377.db2.gz RKEMBSOMPFIMOL-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H](C)CC(C)C ZINC000337226592 386667647 /nfs/dbraw/zinc/66/76/47/386667647.db2.gz FZSXNEMTRMSSSK-WDEREUQCSA-N 0 1 215.337 2.162 20 0 BEADMN Cc1ccnc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000335524838 386669519 /nfs/dbraw/zinc/66/95/19/386669519.db2.gz BWQSILZTCDQCBC-QWRGUYRKSA-N 0 1 205.305 2.158 20 0 BEADMN CC(C)c1nc(CN2Cc3ccccc3C2)n[nH]1 ZINC000292435922 386669726 /nfs/dbraw/zinc/66/97/26/386669726.db2.gz MQLHYXCKYRVITP-UHFFFAOYSA-N 0 1 242.326 2.444 20 0 BEADMN CC[C@@H]1CCC[C@H](CNCC(F)(F)CN)C1 ZINC000414927437 386682712 /nfs/dbraw/zinc/68/27/12/386682712.db2.gz LCMCJNCCFKZXFX-MNOVXSKESA-N 0 1 234.334 2.386 20 0 BEADMN CCc1ccc(CN2CCCO[C@H](CF)C2)o1 ZINC000414473288 386658384 /nfs/dbraw/zinc/65/83/84/386658384.db2.gz AUMIEZQNNWODHO-CYBMUJFWSA-N 0 1 241.306 2.402 20 0 BEADMN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1ncn(C)n1 ZINC000391960812 386709899 /nfs/dbraw/zinc/70/98/99/386709899.db2.gz ZCEQMHBHMMTABY-MXWKQRLJSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@@H]1CCCCN1c1nc(N)nc2c1CCCC2 ZINC000645095927 386710691 /nfs/dbraw/zinc/71/06/91/386710691.db2.gz RZQRIDZPCKLCMS-SNVBAGLBSA-N 0 1 246.358 2.147 20 0 BEADMN CC[C@@H](C(=O)Nc1ccccc1F)N(C)C ZINC000268720147 386685527 /nfs/dbraw/zinc/68/55/27/386685527.db2.gz HVHFXXQAPUGHBA-NSHDSACASA-N 0 1 224.279 2.104 20 0 BEADMN Fc1cccc(CCCOCCc2c[nH]nn2)c1 ZINC000357017051 386687873 /nfs/dbraw/zinc/68/78/73/386687873.db2.gz IHUCPUHDMJJLNE-UHFFFAOYSA-N 0 1 249.289 2.136 20 0 BEADMN CCN(Cc1oc(C)nc1C)C[C@H](C)OC ZINC000643420636 386688607 /nfs/dbraw/zinc/68/86/07/386688607.db2.gz HFJCWRLGDPEDSM-VIFPVBQESA-N 0 1 226.320 2.148 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357021465 386691310 /nfs/dbraw/zinc/69/13/10/386691310.db2.gz IBLDBOKTZFRZBX-MNOVXSKESA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)ncn2)CCS1 ZINC000292591676 386696399 /nfs/dbraw/zinc/69/63/99/386696399.db2.gz VDFXKSJBJBCFQU-LBPRGKRZSA-N 0 1 237.372 2.112 20 0 BEADMN CC(C)CCOCCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000357033111 386698288 /nfs/dbraw/zinc/69/82/88/386698288.db2.gz DVFSBWYGRICAQI-ZIAGYGMSSA-N 0 1 242.407 2.074 20 0 BEADMN CC(C)n1nccc1CN(C)[C@H]1CCSC1 ZINC000279617895 386708801 /nfs/dbraw/zinc/70/88/01/386708801.db2.gz JQZWLZYLDYXUGR-LBPRGKRZSA-N 0 1 239.388 2.401 20 0 BEADMN Cl/C=C/CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000268992196 386733912 /nfs/dbraw/zinc/73/39/12/386733912.db2.gz SJALOTJRVIICLU-XCRNYIDWSA-N 0 1 225.723 2.342 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)[nH]1 ZINC000335533667 386735309 /nfs/dbraw/zinc/73/53/09/386735309.db2.gz GAHZUVIKEFZIEP-QWRGUYRKSA-N 0 1 248.330 2.268 20 0 BEADMN CCC[C@](C)(CC)C(=O)Nc1nnc(C)[nH]1 ZINC000279773923 386736219 /nfs/dbraw/zinc/73/62/19/386736219.db2.gz BGYFUYVYTMAHPX-NSHDSACASA-N 0 1 224.308 2.268 20 0 BEADMN CCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000268994821 386736370 /nfs/dbraw/zinc/73/63/70/386736370.db2.gz PPXIUCLENBIBDU-JTQLQIEISA-N 0 1 233.315 2.094 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)C(C)C ZINC000122149139 386738433 /nfs/dbraw/zinc/73/84/33/386738433.db2.gz FDTTYFLNORAFHJ-UHFFFAOYSA-N 0 1 201.310 2.058 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000526992594 386722573 /nfs/dbraw/zinc/72/25/73/386722573.db2.gz IRVYGOWXNOLLEP-IJLUTSLNSA-N 0 1 227.348 2.306 20 0 BEADMN O=C(NC1(CF)CCC1)c1cccc2nc[nH]c21 ZINC000335541455 386722757 /nfs/dbraw/zinc/72/27/57/386722757.db2.gz JFWBBSBYRIGTIP-UHFFFAOYSA-N 0 1 247.273 2.185 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2CC(N)=O)cn1 ZINC000330467324 386724828 /nfs/dbraw/zinc/72/48/28/386724828.db2.gz XSABUEWZVCKMFT-GFCCVEGCSA-N 0 1 248.330 2.065 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2CC(N)=O)cn1 ZINC000330467325 386725229 /nfs/dbraw/zinc/72/52/29/386725229.db2.gz XSABUEWZVCKMFT-LBPRGKRZSA-N 0 1 248.330 2.065 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cccc2c1OCCO2 ZINC000526989496 386727549 /nfs/dbraw/zinc/72/75/49/386727549.db2.gz LYAQUYBOJSWNKD-GHMZBOCLSA-N 0 1 233.311 2.441 20 0 BEADMN CCOC[C@H](C)NCc1cc(F)ccc1F ZINC000044690815 386728136 /nfs/dbraw/zinc/72/81/36/386728136.db2.gz BTZXQWYUXQRFPV-VIFPVBQESA-N 0 1 229.270 2.479 20 0 BEADMN CC(C)[C@@H](C)N(C)c1nc(N)nc2c1CCCC2 ZINC000645138605 386747691 /nfs/dbraw/zinc/74/76/91/386747691.db2.gz XKNMBCBHHRXPOL-SNVBAGLBSA-N 0 1 248.374 2.249 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000330495537 386749260 /nfs/dbraw/zinc/74/92/60/386749260.db2.gz WHMDBFVFVDJPFW-JTQLQIEISA-N 0 1 239.319 2.145 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cc2cnns2)C1 ZINC000334153704 386751951 /nfs/dbraw/zinc/75/19/51/386751951.db2.gz PEIUXLIGCPNZAY-VIFPVBQESA-N 0 1 225.361 2.406 20 0 BEADMN C[C@H](C[N@H+]1C[C@H](F)C[C@H]1CO)c1ccccc1 ZINC000344836166 386755497 /nfs/dbraw/zinc/75/54/97/386755497.db2.gz UZKPSFYOIUVHOX-BNOWGMLFSA-N 0 1 237.318 2.195 20 0 BEADMN COC(=O)c1occc1CN1CC[C@@H](C)[C@@H]1C ZINC000248371720 386756494 /nfs/dbraw/zinc/75/64/94/386756494.db2.gz YYQALRHNTGPGFZ-ZJUUUORDSA-N 0 1 237.299 2.297 20 0 BEADMN Cn1nccc1CNCc1cc2ccccc2o1 ZINC000030906769 386757156 /nfs/dbraw/zinc/75/71/56/386757156.db2.gz RTHKZHCRIRMOLO-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN Oc1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000648067292 386760264 /nfs/dbraw/zinc/76/02/64/386760264.db2.gz YZOCLWXQCQSHBC-OAHLLOKOSA-N 0 1 247.338 2.393 20 0 BEADMN C[C@H](CSCc1nn[nH]n1)c1ccccc1 ZINC000279994724 386766395 /nfs/dbraw/zinc/76/63/95/386766395.db2.gz RLYNVDHBLCOXDL-SECBINFHSA-N 0 1 234.328 2.237 20 0 BEADMN CSc1cc(CNCc2cccn2C)ccn1 ZINC000357358983 386767574 /nfs/dbraw/zinc/76/75/74/386767574.db2.gz USWCSTNPKOJPKW-UHFFFAOYSA-N 0 1 247.367 2.432 20 0 BEADMN Cc1cnc([C@@H](C)CNCc2cocn2)s1 ZINC000192343478 386768902 /nfs/dbraw/zinc/76/89/02/386768902.db2.gz PYIWWGMKHMZWRV-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1sccc1CNCc1cnn(C)c1C ZINC000293268107 386796701 /nfs/dbraw/zinc/79/67/01/386796701.db2.gz NGLSKQGVKYZSEV-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN CCCc1noc(CN(C)[C@H](C)C(C)C)n1 ZINC000357487305 386791691 /nfs/dbraw/zinc/79/16/91/386791691.db2.gz ROUZBGCIMGZHQI-SNVBAGLBSA-N 0 1 225.336 2.498 20 0 BEADMN CO[C@H](C)CNCc1c(F)cccc1F ZINC000191203701 386773848 /nfs/dbraw/zinc/77/38/48/386773848.db2.gz ULRNXCHAVFQJIY-MRVPVSSYSA-N 0 1 215.243 2.089 20 0 BEADMN C[C@H](NC(=O)CN1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000293452636 386818941 /nfs/dbraw/zinc/81/89/41/386818941.db2.gz POJJNZQYZFNUDH-AGIUHOORSA-N 0 1 246.354 2.204 20 0 BEADMN C[C@H](NC(=O)CN1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000293452642 386819811 /nfs/dbraw/zinc/81/98/11/386819811.db2.gz POJJNZQYZFNUDH-FRRDWIJNSA-N 0 1 246.354 2.204 20 0 BEADMN C[C@H](NC(=O)CN1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000293452644 386820284 /nfs/dbraw/zinc/82/02/84/386820284.db2.gz POJJNZQYZFNUDH-RWMBFGLXSA-N 0 1 246.354 2.204 20 0 BEADMN Cc1cnccc1CN1CC[C@@](C)(F)C1 ZINC000334770693 386821327 /nfs/dbraw/zinc/82/13/27/386821327.db2.gz JHMLUKPVEZHHTN-GFCCVEGCSA-N 0 1 208.280 2.324 20 0 BEADMN C[C@H](C(=O)NCCN1CC=CCC1)C(C)(C)C ZINC000357659187 386821388 /nfs/dbraw/zinc/82/13/88/386821388.db2.gz RQQLAQNVYMPKNO-GFCCVEGCSA-N 0 1 238.375 2.047 20 0 BEADMN CC(C)c1nc(CN[C@H](C)c2ccccn2)n[nH]1 ZINC000293283569 386797016 /nfs/dbraw/zinc/79/70/16/386797016.db2.gz UACJQWBVAAYPJR-SNVBAGLBSA-N 0 1 245.330 2.174 20 0 BEADMN O[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1C1CCCC1 ZINC000520750566 386802248 /nfs/dbraw/zinc/80/22/48/386802248.db2.gz YUYWNCJFPPNKFS-QWHCGFSZSA-N 0 1 241.350 2.362 20 0 BEADMN COC(=O)[C@@H]1CCCCCN1CCCCF ZINC000367138579 386806556 /nfs/dbraw/zinc/80/65/56/386806556.db2.gz QQVIIXLBSVOABX-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN C/C=C(\C=C\C(=O)NCCN1CC=CCC1)CC ZINC000280370923 386808214 /nfs/dbraw/zinc/80/82/14/386808214.db2.gz YYPDAMDKSBAZKI-MWWXXHHYSA-N 0 1 248.370 2.277 20 0 BEADMN CCOC[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000341011986 386816142 /nfs/dbraw/zinc/81/61/42/386816142.db2.gz OCZWEJZULOMPCF-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN CC(C)c1cc(C(=O)N2CCCCCO2)[nH]n1 ZINC000329945924 386816053 /nfs/dbraw/zinc/81/60/53/386816053.db2.gz XOZLINLELMEJID-UHFFFAOYSA-N 0 1 237.303 2.091 20 0 BEADMN COc1ncncc1CN(C)CC1CCCC1 ZINC000648004389 386816124 /nfs/dbraw/zinc/81/61/24/386816124.db2.gz DIENMVAULAQMSO-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN Cc1nocc1CNCc1ccc([C@@H](C)O)cc1 ZINC000293509680 386829529 /nfs/dbraw/zinc/82/95/29/386829529.db2.gz HXODNHUHYWBUCT-LLVKDONJSA-N 0 1 246.310 2.326 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](N)c1ccccc1C ZINC000645168244 386829827 /nfs/dbraw/zinc/82/98/27/386829827.db2.gz JENIFUABTHSLNN-AAEUAGOBSA-N 0 1 234.343 2.300 20 0 BEADMN CC(C)CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341057854 386831989 /nfs/dbraw/zinc/83/19/89/386831989.db2.gz KGZONTWPSVVYNS-BETUJISGSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](CO)N(Cc1nccs1)CC1CCC1 ZINC000280644610 386832898 /nfs/dbraw/zinc/83/28/98/386832898.db2.gz YNVGGWFCCKHBIX-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN COC[C@@H]1CCN1Cc1cccc(F)c1 ZINC000293536642 386832972 /nfs/dbraw/zinc/83/29/72/386832972.db2.gz JWHBZIIVHRHCIE-LBPRGKRZSA-N 0 1 209.264 2.046 20 0 BEADMN CCOc1cc(CNCCF)ccc1OC ZINC000280669921 386833722 /nfs/dbraw/zinc/83/37/22/386833722.db2.gz MADRWROAFLIGSP-UHFFFAOYSA-N 0 1 227.279 2.153 20 0 BEADMN COC(=O)c1cc(CN2C[C@H](C)[C@@H]2C)oc1C ZINC000293552130 386835677 /nfs/dbraw/zinc/83/56/77/386835677.db2.gz ZDQPRBRNSIVGHE-IUCAKERBSA-N 0 1 237.299 2.215 20 0 BEADMN Cc1nc(C(C)C)ccc1CN1CCN(C)CC1 ZINC000293553351 386836383 /nfs/dbraw/zinc/83/63/83/386836383.db2.gz RHXOXBGBZYLDQW-UHFFFAOYSA-N 0 1 247.386 2.261 20 0 BEADMN CSCCN(C)Cc1cncn1C(C)C ZINC000425340995 386843399 /nfs/dbraw/zinc/84/33/99/386843399.db2.gz WRHPTCAQUJLQGV-UHFFFAOYSA-N 0 1 227.377 2.259 20 0 BEADMN C[C@H]1C[C@H](C)N(c2nc(N)nc3c2CCCC3)C1 ZINC000645180356 386844864 /nfs/dbraw/zinc/84/48/64/386844864.db2.gz FOLCGHQXCOKRCR-UWVGGRQHSA-N 0 1 246.358 2.003 20 0 BEADMN C[C@@H]1C[C@H](C)CN1c1nc(N)nc2c1CCCC2 ZINC000645180357 386846358 /nfs/dbraw/zinc/84/63/58/386846358.db2.gz FOLCGHQXCOKRCR-VHSXEESVSA-N 0 1 246.358 2.003 20 0 BEADMN CCc1nnc(CN[C@@H]2CCCC2(C)C)o1 ZINC000191303333 386847045 /nfs/dbraw/zinc/84/70/45/386847045.db2.gz BXZAFSLTBKYRFP-SECBINFHSA-N 0 1 223.320 2.300 20 0 BEADMN C[C@@H]1CCN(c2nc(N)nc3c2CCCC3)[C@@H]1C ZINC000645186206 386850077 /nfs/dbraw/zinc/85/00/77/386850077.db2.gz PLDCTELYKAEBDP-NXEZZACHSA-N 0 1 246.358 2.003 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(F)F)c1 ZINC000293626263 386850974 /nfs/dbraw/zinc/85/09/74/386850974.db2.gz ZWGZIPWCZJBSRM-UHFFFAOYSA-N 0 1 243.209 2.189 20 0 BEADMN CC(C)n1cncc1CN(C)C1CCC1 ZINC000425336937 386851958 /nfs/dbraw/zinc/85/19/58/386851958.db2.gz MQFSIYSEPQDLET-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CCCCN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352888374 386895317 /nfs/dbraw/zinc/89/53/17/386895317.db2.gz OEYWXPGWIDNNBS-MISXGVKJSA-N 0 1 217.378 2.018 20 0 BEADMN C[C@@H]1CN(CC23CCC(CC2)C3)CC[S@@]1=O ZINC000334790145 386854378 /nfs/dbraw/zinc/85/43/78/386854378.db2.gz LOOBZACNALJFIJ-OCLKLICZSA-N 0 1 241.400 2.020 20 0 BEADMN C[C@]1(F)CCN(CCc2ccncc2)C1 ZINC000335741503 386858748 /nfs/dbraw/zinc/85/87/48/386858748.db2.gz QESOIFHPHBDSHA-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccon1 ZINC000352881951 386859463 /nfs/dbraw/zinc/85/94/63/386859463.db2.gz GDMAOWAXTNJSIC-DGCLKSJQSA-N 0 1 238.331 2.190 20 0 BEADMN C/C=C/C=C/c1nc(C2(N)CCCC2)no1 ZINC000334845671 386894236 /nfs/dbraw/zinc/89/42/36/386894236.db2.gz ULHCDLKPUQMESP-AOGGBPEJSA-N 0 1 219.288 2.387 20 0 BEADMN C[C@H](O)CCN1CCc2[nH]c3ccccc3c2C1 ZINC000334794464 386862555 /nfs/dbraw/zinc/86/25/55/386862555.db2.gz YWGMQAOUINRTAN-NSHDSACASA-N 0 1 244.338 2.297 20 0 BEADMN Oc1cccc(CN2CC3(C2)CCOCC3)c1 ZINC000334794618 386862814 /nfs/dbraw/zinc/86/28/14/386862814.db2.gz BXPLRZGXZHOAIG-UHFFFAOYSA-N 0 1 233.311 2.005 20 0 BEADMN CCOc1ccc(CN2CC[C@H]2COC)cc1 ZINC000293722911 386865963 /nfs/dbraw/zinc/86/59/63/386865963.db2.gz YRJMFJCCIWMNEU-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1cnn(C)c1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000335745570 386867546 /nfs/dbraw/zinc/86/75/46/386867546.db2.gz XUFDBQZPVYMMOA-PHIMTYICSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1nocc1CNCc1cccc(N(C)C)c1 ZINC000293730301 386869667 /nfs/dbraw/zinc/86/96/67/386869667.db2.gz ZFWWSFOUGOCZKI-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN C[C@H]1C[N@@H+](CC2=CCCOC2)CCC1(F)F ZINC000334839065 386881615 /nfs/dbraw/zinc/88/16/15/386881615.db2.gz LBLOYRZVLPGYBM-JTQLQIEISA-N 0 1 231.286 2.310 20 0 BEADMN Cc1cc(NC(=O)[C@@H]2CCCN2C)cc(C)c1O ZINC000335756646 386884866 /nfs/dbraw/zinc/88/48/66/386884866.db2.gz WEGRLRKAHGDEBU-LBPRGKRZSA-N 0 1 248.326 2.042 20 0 BEADMN CCc1nc(CN2CC[C@@H](C)C3(CCC3)C2)n[nH]1 ZINC000335759432 386887678 /nfs/dbraw/zinc/88/76/78/386887678.db2.gz RFGPBAFWICLIFJ-LLVKDONJSA-N 0 1 248.374 2.379 20 0 BEADMN CC[C@H](COC)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358246661 386919206 /nfs/dbraw/zinc/91/92/06/386919206.db2.gz KDTAVHBDLYJSRJ-VHSXEESVSA-N 0 1 240.351 2.004 20 0 BEADMN CCc1ccc(NC(=O)N2CCN[C@H](C)C2)cc1 ZINC000334852772 386902101 /nfs/dbraw/zinc/90/21/01/386902101.db2.gz AFRIWUTVYSFQRC-LLVKDONJSA-N 0 1 247.342 2.075 20 0 BEADMN NC1(c2noc(C34CCC(CC3)C4)n2)CCC1 ZINC000334853667 386904140 /nfs/dbraw/zinc/90/41/40/386904140.db2.gz MLMJKDFHKYCOLR-UHFFFAOYSA-N 0 1 233.315 2.239 20 0 BEADMN CCCCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000330865744 386906106 /nfs/dbraw/zinc/90/61/06/386906106.db2.gz XLQHNDFZVLUSQB-JTQLQIEISA-N 0 1 238.335 2.228 20 0 BEADMN CC(C)[C@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334855464 386907291 /nfs/dbraw/zinc/90/72/91/386907291.db2.gz XVILHBXRHPKZIR-RKDXNWHRSA-N 0 1 221.304 2.167 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1cnc2cnccn12 ZINC000335767105 386910268 /nfs/dbraw/zinc/91/02/68/386910268.db2.gz YTCQMHKUKGOUHK-LBPRGKRZSA-N 0 1 244.342 2.494 20 0 BEADMN FC[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000334859930 386912953 /nfs/dbraw/zinc/91/29/53/386912953.db2.gz PRWHORUUYFKCLQ-NEPJUHHUSA-N 0 1 213.296 2.013 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@@H](C2CC2)C1 ZINC000335772904 386921573 /nfs/dbraw/zinc/92/15/73/386921573.db2.gz UCEOFGWPLPBLRZ-SNVBAGLBSA-N 0 1 239.750 2.305 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358267988 386924088 /nfs/dbraw/zinc/92/40/88/386924088.db2.gz RCJLJOBODUPETQ-OPRDCNLKSA-N 0 1 240.351 2.002 20 0 BEADMN CC[C@H]1CCCN(Cc2cncnc2OC)CC1 ZINC000648009555 386925743 /nfs/dbraw/zinc/92/57/43/386925743.db2.gz MMEFACHAGSPJSA-LBPRGKRZSA-N 0 1 249.358 2.497 20 0 BEADMN CCCC1(C(=O)NCc2cn[nH]c2C)CCC1 ZINC000331922596 386926948 /nfs/dbraw/zinc/92/69/48/386926948.db2.gz DZYIIEIUVDDJMC-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCC3)no2)CC=CCC1 ZINC000334869871 386931565 /nfs/dbraw/zinc/93/15/65/386931565.db2.gz PUPXGWQLLPAKKE-GFCCVEGCSA-N 0 1 233.315 2.405 20 0 BEADMN CCC[C@@H]1CCCN(Cc2cncnc2OC)C1 ZINC000648010777 386931651 /nfs/dbraw/zinc/93/16/51/386931651.db2.gz SAMHYAWUVFCUAE-GFCCVEGCSA-N 0 1 249.358 2.497 20 0 BEADMN CCC[C@H]1CCCN(Cc2cncnc2OC)C1 ZINC000648010778 386931828 /nfs/dbraw/zinc/93/18/28/386931828.db2.gz SAMHYAWUVFCUAE-LBPRGKRZSA-N 0 1 249.358 2.497 20 0 BEADMN CC(C)=CCN[C@@H](C)c1cc(C)n(C)n1 ZINC000336763021 386936046 /nfs/dbraw/zinc/93/60/46/386936046.db2.gz OSLDSRWGTPSRPF-NSHDSACASA-N 0 1 207.321 2.345 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341766484 386964598 /nfs/dbraw/zinc/96/45/98/386964598.db2.gz BQPKQOKXQXAOLU-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(CC)C[C@@H]1C ZINC000341766484 386964605 /nfs/dbraw/zinc/96/46/05/386964605.db2.gz BQPKQOKXQXAOLU-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](NC[C@@H]1CCCCO1)c1nccn1C ZINC000341763734 386964750 /nfs/dbraw/zinc/96/47/50/386964750.db2.gz YFEOYCHTETTZCP-RYUDHWBXSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)NCc1cnc[nH]1 ZINC000332281707 386968303 /nfs/dbraw/zinc/96/83/03/386968303.db2.gz ICPZPTWOMOLAJU-SNVBAGLBSA-N 0 1 235.331 2.242 20 0 BEADMN Cc1nnc(CN(C)[C@@H](C)C(C)C)n1C1CC1 ZINC000341805503 386971600 /nfs/dbraw/zinc/97/16/00/386971600.db2.gz DQHBKCKAJCPOGE-JTQLQIEISA-N 0 1 236.363 2.398 20 0 BEADMN Cc1nnc(CN(C)[C@H](C)C(C)C)n1C1CC1 ZINC000341805505 386971934 /nfs/dbraw/zinc/97/19/34/386971934.db2.gz DQHBKCKAJCPOGE-SNVBAGLBSA-N 0 1 236.363 2.398 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@]2(C)CO)o1 ZINC000331148010 386975443 /nfs/dbraw/zinc/97/54/43/386975443.db2.gz HPHRMZBOXCCQMF-DMDPSCGWSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1ccc(C)c(CN(C)[C@@H]2CCCNC2=O)c1 ZINC000334914999 386989646 /nfs/dbraw/zinc/98/96/46/386989646.db2.gz FYDYPLJBSVNBQU-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2CC(N)=O)o1 ZINC000331263601 386999995 /nfs/dbraw/zinc/99/99/95/386999995.db2.gz FTGMFUDMTSJWOS-JTQLQIEISA-N 0 1 237.303 2.263 20 0 BEADMN Cc1cnc(C(=O)Nc2cccc(F)c2)c(O)c1 ZINC000358721232 387002927 /nfs/dbraw/zinc/00/29/27/387002927.db2.gz QRSYVMBGGANTQR-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CN(C)CC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116459395 386950409 /nfs/dbraw/zinc/95/04/09/386950409.db2.gz FLAPHYAQPWWLHW-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)CCN1CCO[C@@H](COC(C)C)C1 ZINC000366743341 386950916 /nfs/dbraw/zinc/95/09/16/386950916.db2.gz XBECMSLHAHMZFA-CYBMUJFWSA-N 0 1 229.364 2.158 20 0 BEADMN COC(=O)C1(C)CN(Cc2ccc(C)c(C)c2)C1 ZINC000425376523 387030294 /nfs/dbraw/zinc/03/02/94/387030294.db2.gz XAJKDMBCVMZSOQ-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN Cn1ccc(CN[C@H]2COCc3ccccc32)c1 ZINC000334955331 387033776 /nfs/dbraw/zinc/03/37/76/387033776.db2.gz JWOPZNNOZTWKNQ-HNNXBMFYSA-N 0 1 242.322 2.386 20 0 BEADMN Cc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1C ZINC000070075662 387043516 /nfs/dbraw/zinc/04/35/16/387043516.db2.gz HHXRXRZHSXOVML-STQMWFEESA-N 0 1 246.354 2.126 20 0 BEADMN CCCCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000369412642 387043605 /nfs/dbraw/zinc/04/36/05/387043605.db2.gz SHTAMIZOJNMMRM-AWEZNQCLSA-N 0 1 246.354 2.261 20 0 BEADMN CC(C)(NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000334964461 387044851 /nfs/dbraw/zinc/04/48/51/387044851.db2.gz HIVXCPVBCNIHQT-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN c1coc([C@H]2CCN(Cc3ccon3)C2)c1 ZINC000369593845 387054971 /nfs/dbraw/zinc/05/49/71/387054971.db2.gz WUAAXBKLDIUQTQ-JTQLQIEISA-N 0 1 218.256 2.257 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334975771 387061238 /nfs/dbraw/zinc/06/12/38/387061238.db2.gz JWFAKCFHKBWPCX-LLVKDONJSA-N 0 1 233.315 2.158 20 0 BEADMN FC(F)(F)CC[N@H+]1CCC[C@@]12CCOC2 ZINC000341969748 387009797 /nfs/dbraw/zinc/00/97/97/387009797.db2.gz NXXKIAABFSZANE-VIFPVBQESA-N 0 1 223.238 2.194 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341969269 387010735 /nfs/dbraw/zinc/01/07/35/387010735.db2.gz BPVIUAQHPRMFTG-RYUDHWBXSA-N 0 1 215.312 2.237 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341969262 387010954 /nfs/dbraw/zinc/01/09/54/387010954.db2.gz BPVIUAQHPRMFTG-NEPJUHHUSA-N 0 1 215.312 2.237 20 0 BEADMN CCOCCN1CCO[C@H](C2CCCCC2)C1 ZINC000368833760 387015683 /nfs/dbraw/zinc/01/56/83/387015683.db2.gz KSQHOASAWFUVJN-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN COc1ncncc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000648022704 387018199 /nfs/dbraw/zinc/01/81/99/387018199.db2.gz VNWUIRYHQUUDBW-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CCc1ccccc1CN1CC[N@@H+](C)C[C@H]1C ZINC000527324633 387022203 /nfs/dbraw/zinc/02/22/03/387022203.db2.gz SECAMELZRXCFQZ-CYBMUJFWSA-N 0 1 232.371 2.385 20 0 BEADMN Cc1cc(C)cc(NC(=O)NCCN2CCC2)c1 ZINC000359188537 387066072 /nfs/dbraw/zinc/06/60/72/387066072.db2.gz LHDACMQZHUBCBS-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)c2ccc(C)cc2)n[nH]1 ZINC000334881885 387025210 /nfs/dbraw/zinc/02/52/10/387025210.db2.gz ZPOUMVZOWMYYHO-VVVCHXIZSA-N 0 1 249.339 2.290 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)c2ccc(C)cc2)n[nH]1 ZINC000334881886 387026068 /nfs/dbraw/zinc/02/60/68/387026068.db2.gz ZPOUMVZOWMYYHO-XLFHBGCDSA-N 0 1 249.339 2.290 20 0 BEADMN ClC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000369034327 387026520 /nfs/dbraw/zinc/02/65/20/387026520.db2.gz ZMQYJNGABQVGJF-ZPMKCOPCSA-N 0 1 248.717 2.236 20 0 BEADMN Cc1nn(C)c(C)c1CN1CC(CC(F)F)C1 ZINC000425367848 387027239 /nfs/dbraw/zinc/02/72/39/387027239.db2.gz VGTUUAAUCBCTLV-UHFFFAOYSA-N 0 1 243.301 2.124 20 0 BEADMN Cc1cc(CN2CCC(n3cccn3)CC2)on1 ZINC000369123350 387028310 /nfs/dbraw/zinc/02/83/10/387028310.db2.gz AGGNJQUVOQYPPA-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN Cn1ccnc1[C@@H](N[C@H]1COC(C)(C)C1)C1CC1 ZINC000418051342 387068772 /nfs/dbraw/zinc/06/87/72/387068772.db2.gz ROMYXMYYIUBNGC-NEPJUHHUSA-N 0 1 249.358 2.028 20 0 BEADMN Cn1ccnc1[C@H](N[C@@H]1COC(C)(C)C1)C1CC1 ZINC000418051343 387069010 /nfs/dbraw/zinc/06/90/10/387069010.db2.gz ROMYXMYYIUBNGC-NWDGAFQWSA-N 0 1 249.358 2.028 20 0 BEADMN CCn1nncc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000418055416 387077535 /nfs/dbraw/zinc/07/75/35/387077535.db2.gz BHLWYEAJKFWKHR-ZDUSSCGKSA-N 0 1 246.358 2.063 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)cn2)C[C@H]1C ZINC000336257554 387087507 /nfs/dbraw/zinc/08/75/07/387087507.db2.gz NCTAIVDCNKUCFU-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1c(O)cccc1F ZINC000228836904 387131080 /nfs/dbraw/zinc/13/10/80/387131080.db2.gz JRLMETPSURWWAS-QMMMGPOBSA-N 0 1 237.274 2.402 20 0 BEADMN CS[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000336260068 387095063 /nfs/dbraw/zinc/09/50/63/387095063.db2.gz SFJIUDIWEMTQGZ-NXEZZACHSA-N 0 1 226.345 2.481 20 0 BEADMN CCN(CC(=O)N1CCCC[C@H](C)C1)C1CC1 ZINC000186465850 387097435 /nfs/dbraw/zinc/09/74/35/387097435.db2.gz CNIMQGVPEJXMIP-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cncc(CNCc2cnccc2C)c1 ZINC000228690473 387107378 /nfs/dbraw/zinc/10/73/78/387107378.db2.gz ULYOLLINJWUPTM-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1noc(CN(CC2CC2)CC2CCC2)n1 ZINC000352365754 387109980 /nfs/dbraw/zinc/10/99/80/387109980.db2.gz WLMAYQUFQZNJPC-UHFFFAOYSA-N 0 1 235.331 2.390 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[NH+]1CCSCC1 ZINC000085828026 387111045 /nfs/dbraw/zinc/11/10/45/387111045.db2.gz BGNXICLEAYGMFJ-MRVPVSSYSA-N 0 1 241.312 2.088 20 0 BEADMN c1ccc2c(c1)CN(CCOCC1CC1)C2 ZINC000119333882 387122067 /nfs/dbraw/zinc/12/20/67/387122067.db2.gz NDDGGZAMEPXDDC-UHFFFAOYSA-N 0 1 217.312 2.429 20 0 BEADMN CC(C)c1cnc(CN[C@H]2C[C@@](C)(O)C2)s1 ZINC000418102649 387124555 /nfs/dbraw/zinc/12/45/55/387124555.db2.gz HVXPIDAQSHCKJH-WVSHTKLVSA-N 0 1 240.372 2.270 20 0 BEADMN Cc1cc(CN2CCCC[C@H]2C[C@H](C)O)no1 ZINC000228885224 387127281 /nfs/dbraw/zinc/12/72/81/387127281.db2.gz RSDYXZGTBYLYFQ-GWCFXTLKSA-N 0 1 238.331 2.108 20 0 BEADMN COCC1CCC(NCc2ncc(C)o2)CC1 ZINC000648535169 387130167 /nfs/dbraw/zinc/13/01/67/387130167.db2.gz SVDXWYNUDCSUEW-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN C[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1cscn1 ZINC000336316313 387142299 /nfs/dbraw/zinc/14/22/99/387142299.db2.gz SOELHCXWCCPQKN-PSASIEDQSA-N 0 1 248.355 2.074 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H]2CCC[C@@H]21 ZINC000336319273 387144270 /nfs/dbraw/zinc/14/42/70/387144270.db2.gz BOKPAVLREFQGMK-MFKMUULPSA-N 0 1 245.326 2.302 20 0 BEADMN CCCN(C(=O)c1ccc2[nH]nnc2c1)C(C)C ZINC000571701030 387149446 /nfs/dbraw/zinc/14/94/46/387149446.db2.gz RCJDNJWAQCTYRQ-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)[C@H]1CCCOC1 ZINC000336322473 387149780 /nfs/dbraw/zinc/14/97/80/387149780.db2.gz ANKXHBXPQRZQRB-ZDUSSCGKSA-N 0 1 223.291 2.437 20 0 BEADMN CN(Cc1ccc(Cl)o1)[C@H]1CCOC1 ZINC000336323615 387151968 /nfs/dbraw/zinc/15/19/68/387151968.db2.gz BAYHYRSFKWNFJP-QMMMGPOBSA-N 0 1 215.680 2.154 20 0 BEADMN CCC[C@@H](C)NCc1nn(C)cc1Cl ZINC000393295672 387153334 /nfs/dbraw/zinc/15/33/34/387153334.db2.gz OYANWWSNUQDPHR-MRVPVSSYSA-N 0 1 215.728 2.352 20 0 BEADMN CC[C@@H](C)CN1CCOC[C@@H]1CC(F)F ZINC000353268877 387156571 /nfs/dbraw/zinc/15/65/71/387156571.db2.gz SQTGPBULQFJDKK-ZJUUUORDSA-N 0 1 221.291 2.389 20 0 BEADMN CC(C)CNC(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000186988395 387160368 /nfs/dbraw/zinc/16/03/68/387160368.db2.gz KCCJOYYRGIYPBH-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CN(Cc1cnn(CC(F)F)c1)[C@H]1CC1(C)C ZINC000353227725 387160695 /nfs/dbraw/zinc/16/06/95/387160695.db2.gz AMEIYMQQPSNHBD-JTQLQIEISA-N 0 1 243.301 2.379 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cc(C)on1)C(C)C ZINC000284242716 387163551 /nfs/dbraw/zinc/16/35/51/387163551.db2.gz VFOISMHHUZVNHW-CMPLNLGQSA-N 0 1 226.320 2.305 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H](C)c2cc(C)on2)C1(C)C ZINC000353280086 387170910 /nfs/dbraw/zinc/17/09/10/387170910.db2.gz ZTIMUTCVMQGIKE-ADEWGFFLSA-N 0 1 238.331 2.447 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H](C)c2cc(C)on2)C1(C)C ZINC000353280089 387171516 /nfs/dbraw/zinc/17/15/16/387171516.db2.gz ZTIMUTCVMQGIKE-ZMLRMANQSA-N 0 1 238.331 2.447 20 0 BEADMN FC(F)C[C@H]1COCCN1CCC1CC1 ZINC000353286602 387172690 /nfs/dbraw/zinc/17/26/90/387172690.db2.gz MBNCOCQWULDOIM-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN C[C@@H](NCCF)c1ccc(Br)nc1 ZINC000290028545 387175973 /nfs/dbraw/zinc/17/59/73/387175973.db2.gz AWQWNKLGZKIURJ-SSDOTTSWSA-N 0 1 247.111 2.464 20 0 BEADMN CCc1nnc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000193227760 387182654 /nfs/dbraw/zinc/18/26/54/387182654.db2.gz KRACZDNLXZUUEP-VHSXEESVSA-N 0 1 223.320 2.300 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@H]2CC2(C)C)nc1 ZINC000352420844 387183647 /nfs/dbraw/zinc/18/36/47/387183647.db2.gz HNAUUKFPLULAHG-LBPRGKRZSA-N 0 1 248.326 2.099 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)C[C@H](C)C2)nn1 ZINC000336355729 387185245 /nfs/dbraw/zinc/18/52/45/387185245.db2.gz JYZYXUIYYCIPMB-TXEJJXNPSA-N 0 1 236.363 2.337 20 0 BEADMN CCc1cccc(F)c1CN1CCN(C)CC1 ZINC000353378734 387189144 /nfs/dbraw/zinc/18/91/44/387189144.db2.gz HUHXCYITQYASRN-UHFFFAOYSA-N 0 1 236.334 2.136 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1c(O)cccc1F ZINC000228854066 387134963 /nfs/dbraw/zinc/13/49/63/387134963.db2.gz UYHOMTQDDHZENA-DTWKUNHWSA-N 0 1 237.274 2.402 20 0 BEADMN Cc1cc(CN2CCSC[C@H]2C2CC2)on1 ZINC000336307574 387136671 /nfs/dbraw/zinc/13/66/71/387136671.db2.gz TYLSURWJPVGLBY-LBPRGKRZSA-N 0 1 238.356 2.310 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cnc[nH]1 ZINC000336310539 387138340 /nfs/dbraw/zinc/13/83/40/387138340.db2.gz AXRZLYSWPKVWBW-CBAPKCEASA-N 0 1 233.237 2.182 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC1(O)CCC1 ZINC000353466249 387208055 /nfs/dbraw/zinc/20/80/55/387208055.db2.gz GWLOYRINWNJISY-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1nocc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353471617 387210759 /nfs/dbraw/zinc/21/07/59/387210759.db2.gz MLRQHHCDPGLPBM-SECBINFHSA-N 0 1 246.257 2.044 20 0 BEADMN Cc1nocc1CN1CC[C@@H](COC(F)F)C1 ZINC000353471617 387210760 /nfs/dbraw/zinc/21/07/60/387210760.db2.gz MLRQHHCDPGLPBM-SECBINFHSA-N 0 1 246.257 2.044 20 0 BEADMN CN(CCC(F)(F)F)CC1=CCCOC1 ZINC000092479624 387212528 /nfs/dbraw/zinc/21/25/28/387212528.db2.gz UQKYYKKEZADSOT-UHFFFAOYSA-N 0 1 223.238 2.217 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187835855 387215973 /nfs/dbraw/zinc/21/59/73/387215973.db2.gz ARHUNRPTFAJIQZ-HZMBPMFUSA-N 0 1 219.394 2.121 20 0 BEADMN Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)[O-])o1 ZINC000309781612 387221410 /nfs/dbraw/zinc/22/14/10/387221410.db2.gz RIMVRCOSMANTFL-UWVGGRQHSA-N 0 1 223.272 2.198 20 0 BEADMN CN(Cc1ccccc1F)[C@@H]1CCCOC1 ZINC000336396528 387224631 /nfs/dbraw/zinc/22/46/31/387224631.db2.gz JENVSANFYBXBBT-GFCCVEGCSA-N 0 1 223.291 2.437 20 0 BEADMN Cc1noc([C@@H]2CCC[N@@H+]2CC[C@H](C)F)n1 ZINC000353576227 387233491 /nfs/dbraw/zinc/23/34/91/387233491.db2.gz PGLLEASOBAYHEE-WPRPVWTQSA-N 0 1 227.283 2.263 20 0 BEADMN Cc1noc([C@@H]2CCCN2CC[C@H](C)F)n1 ZINC000353576227 387233494 /nfs/dbraw/zinc/23/34/94/387233494.db2.gz PGLLEASOBAYHEE-WPRPVWTQSA-N 0 1 227.283 2.263 20 0 BEADMN C[C@H]1c2ccccc2CCN1C(=O)c1cnc[nH]1 ZINC000336404174 387234587 /nfs/dbraw/zinc/23/45/87/387234587.db2.gz QEIYJBFCXVXDKJ-JTQLQIEISA-N 0 1 241.294 2.169 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)CC1(C)C ZINC000572105091 387236522 /nfs/dbraw/zinc/23/65/22/387236522.db2.gz KYUIGTXUOBFYDC-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1cscc1CN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353601969 387238479 /nfs/dbraw/zinc/23/84/79/387238479.db2.gz BZFZMANMWFBYJT-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN COC[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000353613675 387239947 /nfs/dbraw/zinc/23/99/47/387239947.db2.gz PBZQZQXAWAZRAU-SECBINFHSA-N 0 1 229.707 2.401 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(F)c(C)c1 ZINC000063057976 387242826 /nfs/dbraw/zinc/24/28/26/387242826.db2.gz BRUKWYQEVDVSBO-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000285156985 387243771 /nfs/dbraw/zinc/24/37/71/387243771.db2.gz MKRQIXHKKFLZCZ-GUBZILKMSA-N 0 1 212.293 2.057 20 0 BEADMN CCCCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC000187976849 387249872 /nfs/dbraw/zinc/24/98/72/387249872.db2.gz UAHXEHUEBQCACN-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@H](C)[C@H](CC)NCC(F)(F)CN ZINC000423346386 387194500 /nfs/dbraw/zinc/19/45/00/387194500.db2.gz OWGDFFQXHLMPRS-ZJUUUORDSA-N 0 1 222.323 2.385 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NCC(F)(F)CN)C1 ZINC000423345051 387195496 /nfs/dbraw/zinc/19/54/96/387195496.db2.gz NNASVTGDCXIYOK-WDEREUQCSA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NCC(F)(F)CN ZINC000423345202 387195862 /nfs/dbraw/zinc/19/58/62/387195862.db2.gz NTGMIEAJVBGOPX-NXEZZACHSA-N 0 1 220.307 2.139 20 0 BEADMN CC[C@@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC000571925364 387199447 /nfs/dbraw/zinc/19/94/47/387199447.db2.gz YWONHGKHCSOHFY-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000571925364 387199453 /nfs/dbraw/zinc/19/94/53/387199453.db2.gz YWONHGKHCSOHFY-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(F)F)[C@H](C(=O)[O-])C1 ZINC000571932012 387201169 /nfs/dbraw/zinc/20/11/69/387201169.db2.gz YHCNXRUMZNMXCA-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1[C@H]1C=CCCC1 ZINC000360556177 387309801 /nfs/dbraw/zinc/30/98/01/387309801.db2.gz HCDMKXOKRZUXAB-AVGNSLFASA-N 0 1 237.343 2.369 20 0 BEADMN Cc1nc(CN[C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000230316977 387260584 /nfs/dbraw/zinc/26/05/84/387260584.db2.gz FKKSVIZADVOSTA-NEPJUHHUSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1csc(CN[C@H]2CCO[C@H]2C2CC2)n1 ZINC000230314602 387260846 /nfs/dbraw/zinc/26/08/46/387260846.db2.gz BPTIMMXHFPYGHV-JQWIXIFHSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1cnn(C)c1CNCc1cccs1 ZINC000285628097 387276582 /nfs/dbraw/zinc/27/65/82/387276582.db2.gz ZWZGYGGAUXUWSF-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1nc(CN(C)Cc2ccccc2C)n[nH]1 ZINC000353799645 387277963 /nfs/dbraw/zinc/27/79/63/387277963.db2.gz BBPPMAMTGVDDSI-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cncc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000336450884 387279607 /nfs/dbraw/zinc/27/96/07/387279607.db2.gz CZCHSIFLIPVILT-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cncc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000336450886 387280691 /nfs/dbraw/zinc/28/06/91/387280691.db2.gz CZCHSIFLIPVILT-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CC[C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336463681 387292908 /nfs/dbraw/zinc/29/29/08/387292908.db2.gz QAMMWGSOOMSHFW-SNVBAGLBSA-N 0 1 235.331 2.162 20 0 BEADMN CCCCCN1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360541196 387307503 /nfs/dbraw/zinc/30/75/03/387307503.db2.gz STSMJHNWGPDNBM-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000261537083 387307581 /nfs/dbraw/zinc/30/75/81/387307581.db2.gz UUQSXJVPRVZWLV-MRVPVSSYSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000261537083 387307587 /nfs/dbraw/zinc/30/75/87/387307587.db2.gz UUQSXJVPRVZWLV-MRVPVSSYSA-N 0 1 245.731 2.451 20 0 BEADMN Cc1cnn(C)c1CN[C@@H](C)c1cccc(O)c1 ZINC000286041813 387309335 /nfs/dbraw/zinc/30/93/35/387309335.db2.gz QUGJRGZMZDDZOT-NSHDSACASA-N 0 1 245.326 2.285 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCNC[C@@H]1CCC ZINC000423525425 387355598 /nfs/dbraw/zinc/35/55/98/387355598.db2.gz YFHVNWJKELVTEN-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](COC)NCc1noc2ccccc12 ZINC000515311702 387358197 /nfs/dbraw/zinc/35/81/97/387358197.db2.gz STIGVMCNGNWQEW-SNVBAGLBSA-N 0 1 234.299 2.342 20 0 BEADMN C[C@@H](N[C@@H]1CCCCC[C@H]1O)c1cscn1 ZINC000287085036 387369481 /nfs/dbraw/zinc/36/94/81/387369481.db2.gz OXUOTPWGLSVWIO-CKYFFXLPSA-N 0 1 240.372 2.487 20 0 BEADMN Cc1nnsc1CN1CC[C@@H](C)C[C@H]1C ZINC000515352434 387370682 /nfs/dbraw/zinc/37/06/82/387370682.db2.gz CPNFWHFAVXXQTN-RKDXNWHRSA-N 0 1 225.361 2.467 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000360945188 387370825 /nfs/dbraw/zinc/37/08/25/387370825.db2.gz QMRHIEABHJUCNC-YNEHKIRRSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000360945188 387370828 /nfs/dbraw/zinc/37/08/28/387370828.db2.gz QMRHIEABHJUCNC-YNEHKIRRSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@H](C)[C@H]2C)n1 ZINC000336551498 387371917 /nfs/dbraw/zinc/37/19/17/387371917.db2.gz DPGZHJDPCOZCKJ-GXSJLCMTSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C)[C@H]2C)n1 ZINC000336551498 387371920 /nfs/dbraw/zinc/37/19/20/387371920.db2.gz DPGZHJDPCOZCKJ-GXSJLCMTSA-N 0 1 205.305 2.015 20 0 BEADMN Cn1cc(CN2CC[C@H]2c2ccccc2)cn1 ZINC000336553344 387375173 /nfs/dbraw/zinc/37/51/73/387375173.db2.gz MUZVWDQDDQJZCG-AWEZNQCLSA-N 0 1 227.311 2.367 20 0 BEADMN COC[C@@H](C)CN1Cc2cccc(F)c2C1 ZINC000515402110 387377131 /nfs/dbraw/zinc/37/71/31/387377131.db2.gz TXFBHAFJGORJAE-JTQLQIEISA-N 0 1 223.291 2.424 20 0 BEADMN CC(C)N(Cc1ccc(O)cc1)C1COC1 ZINC000648606450 387380368 /nfs/dbraw/zinc/38/03/68/387380368.db2.gz CXPAXDMSWYRPLH-UHFFFAOYSA-N 0 1 221.300 2.001 20 0 BEADMN Cc1cnc(C[N@@H+]2CCC[C@H](C)CC2)nc1 ZINC000336495598 387320851 /nfs/dbraw/zinc/32/08/51/387320851.db2.gz KBJSNJNJSAMOHD-NSHDSACASA-N 0 1 219.332 2.407 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)CC2)nc1 ZINC000336495598 387320855 /nfs/dbraw/zinc/32/08/55/387320855.db2.gz KBJSNJNJSAMOHD-NSHDSACASA-N 0 1 219.332 2.407 20 0 BEADMN Cc1cc(C(=O)N2CCCCC[C@H]2C)n[nH]1 ZINC000336498238 387322848 /nfs/dbraw/zinc/32/28/48/387322848.db2.gz BLKYWNHUXRNXKU-SNVBAGLBSA-N 0 1 221.304 2.123 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCOC[C@H]2C)c1 ZINC000286225526 387324196 /nfs/dbraw/zinc/32/41/96/387324196.db2.gz CJHQUNLPMDOPAS-NEPJUHHUSA-N 0 1 220.316 2.475 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCOC[C@@H]2C)c1 ZINC000286225533 387325075 /nfs/dbraw/zinc/32/50/75/387325075.db2.gz CJHQUNLPMDOPAS-RYUDHWBXSA-N 0 1 220.316 2.475 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423588729 387382920 /nfs/dbraw/zinc/38/29/20/387382920.db2.gz GZLZFZUXXRGTHP-QNWHQSFQSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)C1(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC000336507279 387331031 /nfs/dbraw/zinc/33/10/31/387331031.db2.gz OVMFXNAPRMSLQU-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336507144 387331962 /nfs/dbraw/zinc/33/19/62/387331962.db2.gz SANMXITUIYPISL-OKILXGFUSA-N 0 1 217.312 2.358 20 0 BEADMN Cc1ccccc1CCN(C)Cc1cnccn1 ZINC000515042797 387333671 /nfs/dbraw/zinc/33/36/71/387333671.db2.gz UBHKXOVHTMRNGV-UHFFFAOYSA-N 0 1 241.338 2.460 20 0 BEADMN CSCCCNCc1csc(C)n1 ZINC000040443877 387337147 /nfs/dbraw/zinc/33/71/47/387337147.db2.gz IQTMBMKQEFMRKR-UHFFFAOYSA-N 0 1 216.375 2.294 20 0 BEADMN CC(C)CCCN1CC[S@@](=O)C[C@@H](C)C1 ZINC000373036575 387342733 /nfs/dbraw/zinc/34/27/33/387342733.db2.gz RWMYPILXFAUSRE-SWLSCSKDSA-N 0 1 231.405 2.123 20 0 BEADMN CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000515176783 387342734 /nfs/dbraw/zinc/34/27/34/387342734.db2.gz ALXXRNDAXSQIHC-CKYFFXLPSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)=CCC[C@@H](C)NCc1cnn(C)n1 ZINC000286871714 387345240 /nfs/dbraw/zinc/34/52/40/387345240.db2.gz BVAWEUDRYMOBNK-LLVKDONJSA-N 0 1 222.336 2.040 20 0 BEADMN CC[N@@H+](CCCC1CCCC1)CC(=O)[O-] ZINC000515855666 387430672 /nfs/dbraw/zinc/43/06/72/387430672.db2.gz KIIMBHARSQOMFO-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1CC[C@@H](NCC(F)(F)CO)[C@@H](C)C1 ZINC000231792116 134545429 /nfs/dbraw/zinc/54/54/29/134545429.db2.gz GEDMJJSWWHOZBW-KXUCPTDWSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCO[C@H](C)C2)no1 ZINC000352691585 387437356 /nfs/dbraw/zinc/43/73/56/387437356.db2.gz BADBEOVDFCCHNQ-PWSUYJOCSA-N 0 1 238.331 2.230 20 0 BEADMN COc1cc(CNCCF)cc(Cl)c1OC ZINC000304124176 387441274 /nfs/dbraw/zinc/44/12/74/387441274.db2.gz FBTHZRLADFRPNP-UHFFFAOYSA-N 0 1 247.697 2.416 20 0 BEADMN CN(CCCCOC(C)(C)C)Cc1cc[nH]n1 ZINC000354929182 387449200 /nfs/dbraw/zinc/44/92/00/387449200.db2.gz YKEWWUXIIFNNMX-UHFFFAOYSA-N 0 1 239.363 2.437 20 0 BEADMN Cc1cc(C)n2c(CN3[C@@H](C)C[C@@H]3C)cnc2n1 ZINC000336608541 387450878 /nfs/dbraw/zinc/45/08/78/387450878.db2.gz IIDHGRITSLSUHQ-QWRGUYRKSA-N 0 1 244.342 2.329 20 0 BEADMN C[C@](N)(C(=O)NCCC1(C)CC1)c1ccccc1 ZINC000423922785 387451703 /nfs/dbraw/zinc/45/17/03/387451703.db2.gz ASGDZMCAXULKAK-OAHLLOKOSA-N 0 1 246.354 2.167 20 0 BEADMN FC(F)(F)C1=CCN(C[C@@H]2CCCO2)CC1 ZINC000336612378 387455207 /nfs/dbraw/zinc/45/52/07/387455207.db2.gz YDLCQFGOKPTZKJ-JTQLQIEISA-N 0 1 235.249 2.360 20 0 BEADMN Cc1cnc(CN(CCO)C2CCCCC2)o1 ZINC000304285820 387459281 /nfs/dbraw/zinc/45/92/81/387459281.db2.gz AOCPWJATTMITAT-UHFFFAOYSA-N 0 1 238.331 2.110 20 0 BEADMN CCn1ncnc1CNCCCC(C)(C)C ZINC000313474910 387389502 /nfs/dbraw/zinc/38/95/02/387389502.db2.gz RPDMXNVQISIQHV-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN CC[C@H]1C(=O)NCCN1CCCC1CCCC1 ZINC000121652065 387389931 /nfs/dbraw/zinc/38/99/31/387389931.db2.gz VTOHYDFXOYWGLD-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cnc(CN2CC[C@H](CC3CC3)C2)n1C ZINC000354524267 387390462 /nfs/dbraw/zinc/39/04/62/387390462.db2.gz FTIXMQWNQMTGLT-CYBMUJFWSA-N 0 1 233.359 2.351 20 0 BEADMN CC(C)C[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000121691742 387392831 /nfs/dbraw/zinc/39/28/31/387392831.db2.gz BFIMBPINZPRONZ-ZDUSSCGKSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1occc1CN[C@@H]1CCCc2nn(C)cc21 ZINC000336574294 387396832 /nfs/dbraw/zinc/39/68/32/387396832.db2.gz PYKNGAWUXLOAAE-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1nnc(C[N@@H+]2CCCC[C@@H]2C(C)C)[nH]1 ZINC000336577975 387401692 /nfs/dbraw/zinc/40/16/92/387401692.db2.gz BNHBBRWYPXIAHF-LLVKDONJSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H]2C(C)C)[nH]1 ZINC000336577975 387401695 /nfs/dbraw/zinc/40/16/95/387401695.db2.gz BNHBBRWYPXIAHF-LLVKDONJSA-N 0 1 222.336 2.124 20 0 BEADMN CCc1nc(S[C@H](C(C)=O)C(C)C)n[nH]1 ZINC000515647764 387402277 /nfs/dbraw/zinc/40/22/77/387402277.db2.gz VBBNCPKNFBZZOY-VIFPVBQESA-N 0 1 227.333 2.073 20 0 BEADMN CCc1n[nH]c(S[C@H](C(C)=O)C(C)C)n1 ZINC000515647764 387402280 /nfs/dbraw/zinc/40/22/80/387402280.db2.gz VBBNCPKNFBZZOY-VIFPVBQESA-N 0 1 227.333 2.073 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)o1 ZINC000361151122 387405377 /nfs/dbraw/zinc/40/53/77/387405377.db2.gz CYIMZYCGAHXRTJ-NWDGAFQWSA-N 0 1 236.359 2.366 20 0 BEADMN C[C@@H](CN1CC(=O)NCC1(C)C)CC(C)(C)C ZINC001645399798 1172661908 /nfs/dbraw/zinc/66/19/08/1172661908.db2.gz CFEVWUUYPSRSDS-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H]1[C@H](C)N(Cc2ccc(Cl)o2)CCN1C ZINC000361165057 387409173 /nfs/dbraw/zinc/40/91/73/387409173.db2.gz INUQZGCWFUVGAA-ZJUUUORDSA-N 0 1 242.750 2.457 20 0 BEADMN CCc1ccc(CN2CCCO[C@H](C)C2)nc1 ZINC000336584018 387410096 /nfs/dbraw/zinc/41/00/96/387410096.db2.gz DAQBBEUJRQYNBC-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN CC(C)CCOCCN1CCO[C@H]2CCC[C@H]21 ZINC000374018812 387411774 /nfs/dbraw/zinc/41/17/74/387411774.db2.gz PLADXJIZAAGDPV-KGLIPLIRSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2[C@@H](C)O)oc1C ZINC000303986848 387420643 /nfs/dbraw/zinc/42/06/43/387420643.db2.gz IYFVUPYOCDLRAI-PWSUYJOCSA-N 0 1 238.331 2.027 20 0 BEADMN COc1ncccc1CN1CCCC2(CC2)C1 ZINC000193561740 387498243 /nfs/dbraw/zinc/49/82/43/387498243.db2.gz RTJJMWFKKLCIRS-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1nccs1 ZINC000300358355 387518003 /nfs/dbraw/zinc/51/80/03/387518003.db2.gz FYNTZEBFHKAWDJ-LSJOCFKGSA-N 0 1 238.356 2.361 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000516513395 387518507 /nfs/dbraw/zinc/51/85/07/387518507.db2.gz VJSNMVWCQWSUMC-LLVKDONJSA-N 0 1 218.300 2.019 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000516513395 387518511 /nfs/dbraw/zinc/51/85/11/387518511.db2.gz VJSNMVWCQWSUMC-LLVKDONJSA-N 0 1 218.300 2.019 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@H]2C)cs1 ZINC000307551765 387528750 /nfs/dbraw/zinc/52/87/50/387528750.db2.gz ZJSYEHDNSRORDG-XCBNKYQSSA-N 0 1 228.386 2.293 20 0 BEADMN Cc1csc(CN(C[C@H](C)O)C(C)C)n1 ZINC000304972050 387535690 /nfs/dbraw/zinc/53/56/90/387535690.db2.gz WUMQGLBPECCZPA-JTQLQIEISA-N 0 1 228.361 2.043 20 0 BEADMN F[C@]1(c2ccccc2)CCN(Cc2cnc[nH]2)C1 ZINC000374540619 387467081 /nfs/dbraw/zinc/46/70/81/387467081.db2.gz XZAZBBXDZHBINI-CQSZACIVSA-N 0 1 245.301 2.480 20 0 BEADMN CCc1ccc(CNCc2cnn(CC)c2)cn1 ZINC000352761098 387467566 /nfs/dbraw/zinc/46/75/66/387467566.db2.gz UJZJSKCKRFGGOH-UHFFFAOYSA-N 0 1 244.342 2.150 20 0 BEADMN O=C(/C=C/SCc1ccco1)Nc1cn[nH]c1 ZINC000084968298 387478014 /nfs/dbraw/zinc/47/80/14/387478014.db2.gz ZDEZGRHNIQCYSO-HWKANZROSA-N 0 1 249.295 2.388 20 0 BEADMN O=C(CC1CC1)Nc1nc2ccc(F)cc2[nH]1 ZINC000336628148 387480969 /nfs/dbraw/zinc/48/09/69/387480969.db2.gz ZBXJYFFFAYEUFY-UHFFFAOYSA-N 0 1 233.246 2.441 20 0 BEADMN Cc1ccc(CN(CCO)[C@@H]2C=CCCC2)o1 ZINC000361528630 387482193 /nfs/dbraw/zinc/48/21/93/387482193.db2.gz BADNSFUSWFBACT-CYBMUJFWSA-N 0 1 235.327 2.491 20 0 BEADMN CC[C@H]1C(=O)NCCN1CCC1CCCCC1 ZINC000361550954 387485402 /nfs/dbraw/zinc/48/54/02/387485402.db2.gz HJNLKYPUHXWEDT-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cn[nH]c1CNc1ccc([S@@](C)=O)cc1 ZINC000352797677 387487278 /nfs/dbraw/zinc/48/72/78/387487278.db2.gz MTDILRGDJKRAIX-QGZVFWFLSA-N 0 1 249.339 2.068 20 0 BEADMN CCc1ccc(CN[C@H](C)c2cn[nH]c2)cn1 ZINC000352794170 387487303 /nfs/dbraw/zinc/48/73/03/387487303.db2.gz VCQZUBTVCYUFJE-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN Cc1cnc([C@@H](C)NCCC2(O)CCC2)s1 ZINC000396797274 387492737 /nfs/dbraw/zinc/49/27/37/387492737.db2.gz SNIUAIIQTUROLS-SNVBAGLBSA-N 0 1 240.372 2.407 20 0 BEADMN C=Cn1cc(CN(C)[C@@H]2CC2(C)C)cn1 ZINC000426536195 387580756 /nfs/dbraw/zinc/58/07/56/387580756.db2.gz ATCHNMINYXDVEM-LLVKDONJSA-N 0 1 205.305 2.214 20 0 BEADMN OCC[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000336710040 387580762 /nfs/dbraw/zinc/58/07/62/387580762.db2.gz OTGXGODDFOJHOS-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN c1ccc(NCc2n[nH]c(C3CC3)n2)cc1 ZINC000041058697 387588927 /nfs/dbraw/zinc/58/89/27/387588927.db2.gz BEOJMJOJRGRJCM-UHFFFAOYSA-N 0 1 214.272 2.294 20 0 BEADMN CO[C@@H]1CCN(Cc2oc(C(C)C)nc2C)C1 ZINC000428220084 387592422 /nfs/dbraw/zinc/59/24/22/387592422.db2.gz GPQKUPGKTRVKCR-LLVKDONJSA-N 0 1 238.331 2.327 20 0 BEADMN Cc1cc(CN[C@H](CO)c2ccccc2)ccn1 ZINC000527538960 387606349 /nfs/dbraw/zinc/60/63/49/387606349.db2.gz MTFKBAWEEUNKCH-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN CC1=C[C@H](C)CN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000430273298 387606650 /nfs/dbraw/zinc/60/66/50/387606650.db2.gz DFUWAWSBQOAHCM-WCQYABFASA-N 0 1 238.375 2.045 20 0 BEADMN CCOC(=O)[C@H](CC)N1CC(C)=C[C@@H](C)C1 ZINC000430277446 387607256 /nfs/dbraw/zinc/60/72/56/387607256.db2.gz NMGUCKGENBAJAN-PWSUYJOCSA-N 0 1 225.332 2.226 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@H](N)c1ccccc1C ZINC000422628365 387608982 /nfs/dbraw/zinc/60/89/82/387608982.db2.gz ALFFWXNZLHCNSU-ZWNOBZJWSA-N 0 1 234.343 2.157 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)NC1CCC(C)CC1 ZINC000548425761 387549660 /nfs/dbraw/zinc/54/96/60/387549660.db2.gz AEYNJAPILPLUMI-UNTZMWQOSA-N 0 1 238.375 2.164 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N1CCCN(C)CC1 ZINC000375668518 387565408 /nfs/dbraw/zinc/56/54/08/387565408.db2.gz HNHQIROXIIGSKA-CQSZACIVSA-N 0 1 240.391 2.367 20 0 BEADMN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccoc1 ZINC000376397000 387627586 /nfs/dbraw/zinc/62/75/86/387627586.db2.gz JEZQHUUDDGBTQN-UHTWSYAYSA-N 0 1 248.326 2.084 20 0 BEADMN c1ncc(C[N@H+]2CCCC3(CCC3)C2)[nH]1 ZINC000375695098 387568982 /nfs/dbraw/zinc/56/89/82/387568982.db2.gz ZHRIDMLPVIJAPW-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN COC(=O)c1cc(CN2CCCCC2)oc1C ZINC000123098333 387644832 /nfs/dbraw/zinc/64/48/32/387644832.db2.gz IJKUJYMJHJCBAG-UHFFFAOYSA-N 0 1 237.299 2.361 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@@H]2C)o1 ZINC000125219078 387644933 /nfs/dbraw/zinc/64/49/33/387644933.db2.gz CYDZJRHZARHUFY-UWVGGRQHSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccco1 ZINC000306045216 387671864 /nfs/dbraw/zinc/67/18/64/387671864.db2.gz UVTJBWJNRKRVBM-SRVKXCTJSA-N 0 1 248.326 2.084 20 0 BEADMN CCn1nncc1CNCc1ccc(C)c(C)c1 ZINC000527726252 387676693 /nfs/dbraw/zinc/67/66/93/387676693.db2.gz FNYNKVNGJRRABU-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1nnc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)s1 ZINC000527690487 387684667 /nfs/dbraw/zinc/68/46/67/387684667.db2.gz HHLXDGIIIIWJBC-SWPVVBRQSA-N 0 1 237.372 2.371 20 0 BEADMN Cc1ccoc1CN[C@]12C[C@H]1COC2(C)C ZINC000527765854 387701474 /nfs/dbraw/zinc/70/14/74/387701474.db2.gz JYXXNNSSZRZHEF-GXFFZTMASA-N 0 1 221.300 2.245 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccc(F)cn1 ZINC000452040465 387708366 /nfs/dbraw/zinc/70/83/66/387708366.db2.gz QIKIFKYJPUCVEE-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1ccc(CN(C)Cc2c[nH]nn2)cc1C ZINC000452048103 387713095 /nfs/dbraw/zinc/71/30/95/387713095.db2.gz PDVRQDHSSZIMOO-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN C[C@]12CN(Cc3cnns3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452057620 387717110 /nfs/dbraw/zinc/71/71/10/387717110.db2.gz ZOKMYXKIZIOOIX-LYIQGSDWSA-N 0 1 249.383 2.406 20 0 BEADMN C[C@]12CN(Cc3cnns3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452057636 387717465 /nfs/dbraw/zinc/71/74/65/387717465.db2.gz ZOKMYXKIZIOOIX-RSLMWUCJSA-N 0 1 249.383 2.406 20 0 BEADMN CC(C)(C)OCCN1CCO[C@@H]2CCC[C@H]21 ZINC000377465851 387719898 /nfs/dbraw/zinc/71/98/98/387719898.db2.gz UBTLPLWNJAFZMG-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1csc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC000527802625 387725723 /nfs/dbraw/zinc/72/57/23/387725723.db2.gz AQRCIMSTARTYMP-WYFGTUCQSA-N 0 1 240.372 2.353 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000527805651 387728360 /nfs/dbraw/zinc/72/83/60/387728360.db2.gz VIEBQYJZIVMALX-XBWDGYHZSA-N 0 1 240.372 2.353 20 0 BEADMN FCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000367586670 387730118 /nfs/dbraw/zinc/73/01/18/387730118.db2.gz PLADGGQIWDCKNW-QWHCGFSZSA-N 0 1 245.338 2.006 20 0 BEADMN CCN(CCO)Cc1cnc(C2CCC2)s1 ZINC000127973392 387732270 /nfs/dbraw/zinc/73/22/70/387732270.db2.gz KWXFTCWYMVEZBB-UHFFFAOYSA-N 0 1 240.372 2.225 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356869912 387734914 /nfs/dbraw/zinc/73/49/14/387734914.db2.gz IHEBERPFEIKQOA-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN COC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115739639 387737945 /nfs/dbraw/zinc/73/79/45/387737945.db2.gz AQLYVEUUXJESMW-DYEKYZERSA-N 0 1 247.338 2.426 20 0 BEADMN C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccoc1 ZINC000309510056 387812151 /nfs/dbraw/zinc/81/21/51/387812151.db2.gz XCFLTHWQOPZYMC-NWDGAFQWSA-N 0 1 222.332 2.272 20 0 BEADMN Cc1nnc(CN[C@H](C)[C@H]2CC23CC3)s1 ZINC000527889135 387772575 /nfs/dbraw/zinc/77/25/75/387772575.db2.gz YZBJSPZTDIWQBS-VXNVDRBHSA-N 0 1 223.345 2.125 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC3(CC3)CC2)o1 ZINC000378328366 387776631 /nfs/dbraw/zinc/77/66/31/387776631.db2.gz WDYKNRFMYSVNPM-SECBINFHSA-N 0 1 221.304 2.315 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccccn1 ZINC000527972557 387812642 /nfs/dbraw/zinc/81/26/42/387812642.db2.gz AYNNEDQBPJOOEU-UHTWSYAYSA-N 0 1 220.316 2.300 20 0 BEADMN Cn1ccc(CN2CCC23CCCCC3)n1 ZINC000359975887 387791668 /nfs/dbraw/zinc/79/16/68/387791668.db2.gz FUIUNLCQRVNWOW-UHFFFAOYSA-N 0 1 219.332 2.329 20 0 BEADMN CCN(CC(=O)NCC1=CCCCC1)C1CC1 ZINC000452290891 387794832 /nfs/dbraw/zinc/79/48/32/387794832.db2.gz JMIXDPGZOKKMRT-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN C[C@H](NCc1cccnc1)c1cncc(F)c1 ZINC000151097353 387799279 /nfs/dbraw/zinc/79/92/79/387799279.db2.gz HWXYIPIWMIYZTO-JTQLQIEISA-N 0 1 231.274 2.467 20 0 BEADMN CSC1(CNCc2csc(C)n2)CC1 ZINC000193656037 387799744 /nfs/dbraw/zinc/79/97/44/387799744.db2.gz UCNGZDROCRPFMM-UHFFFAOYSA-N 0 1 228.386 2.437 20 0 BEADMN COC[C@@H](CC(C)C)NCc1cc(C)on1 ZINC000309471379 387803934 /nfs/dbraw/zinc/80/39/34/387803934.db2.gz QTCDMERMEFDYCC-GFCCVEGCSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1ccccc1CCN(C)C(=O)c1cnc[nH]1 ZINC000452333021 387805534 /nfs/dbraw/zinc/80/55/34/387805534.db2.gz OXPXPNZAGBDBJO-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN Cn1ccc(CNCC(C)(C)C(F)(F)F)n1 ZINC000309477237 387805599 /nfs/dbraw/zinc/80/55/99/387805599.db2.gz CKAWKKDJULCSAW-UHFFFAOYSA-N 0 1 235.253 2.098 20 0 BEADMN Cc1ccccc1-c1nc(=NCCF)s[nH]1 ZINC000527994341 387805940 /nfs/dbraw/zinc/80/59/40/387805940.db2.gz KELCXDBXBXCTOV-UHFFFAOYSA-N 0 1 237.303 2.317 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cncs1 ZINC000527972645 387813542 /nfs/dbraw/zinc/81/35/42/387813542.db2.gz BZKLJXMDSHTZSA-GDPRMGEGSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1(C)CCC1 ZINC000432786658 387820909 /nfs/dbraw/zinc/82/09/09/387820909.db2.gz DHEJDUNLFVSTEI-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1C[C@H]1CN(C)Cc1cn2c(n1)CCCC2 ZINC000432812586 387825976 /nfs/dbraw/zinc/82/59/76/387825976.db2.gz JCFWWNYXEDHMOW-RYUDHWBXSA-N 0 1 233.359 2.307 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H](N)C(C)(C)C)n1 ZINC000442741621 387831940 /nfs/dbraw/zinc/83/19/40/387831940.db2.gz BMDXZYHOVZJWAW-RKDXNWHRSA-N 0 1 240.351 2.161 20 0 BEADMN COCC[N@@H+](Cc1cocn1)[C@H]1CC[C@@H](C)C1 ZINC000432926525 387841368 /nfs/dbraw/zinc/84/13/68/387841368.db2.gz GVFCFMVWDQLDOK-YPMHNXCESA-N 0 1 238.331 2.312 20 0 BEADMN COCCN(Cc1cocn1)[C@H]1CC[C@@H](C)C1 ZINC000432926525 387841373 /nfs/dbraw/zinc/84/13/73/387841373.db2.gz GVFCFMVWDQLDOK-YPMHNXCESA-N 0 1 238.331 2.312 20 0 BEADMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000061761276 387845236 /nfs/dbraw/zinc/84/52/36/387845236.db2.gz MNQCUJUVWMPYTK-UHFFFAOYSA-N 0 1 245.326 2.153 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1Cc1cocn1 ZINC000433023644 387852429 /nfs/dbraw/zinc/85/24/29/387852429.db2.gz RXXBPGIDOMVPLR-SNVBAGLBSA-N 0 1 206.289 2.439 20 0 BEADMN CC[C@H]1CCCCN1Cc1nnc(C)o1 ZINC000062639402 387856014 /nfs/dbraw/zinc/85/60/14/387856014.db2.gz DFAIVFGZPPQMLM-JTQLQIEISA-N 0 1 209.293 2.143 20 0 BEADMN CC(C)[C@H]1CN(CC2=CCCC2)CCO1 ZINC000645847772 387857770 /nfs/dbraw/zinc/85/77/70/387857770.db2.gz BKKZTUJMFJPUIE-CYBMUJFWSA-N 0 1 209.333 2.454 20 0 BEADMN Cc1nc(CNC[C@]2(O)CCC[C@@H]2C)cs1 ZINC000328081215 387865061 /nfs/dbraw/zinc/86/50/61/387865061.db2.gz GSEXNQZSLQTLQH-JOYOIKCWSA-N 0 1 240.372 2.092 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@H](C)C2)n1 ZINC000424172503 387869144 /nfs/dbraw/zinc/86/91/44/387869144.db2.gz OEWDZMRKCBNTGB-QWRGUYRKSA-N 0 1 235.331 2.154 20 0 BEADMN C[C@H]1COCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000433141470 387869457 /nfs/dbraw/zinc/86/94/57/387869457.db2.gz PEOAVNPWUUOCSQ-ONGXEEELSA-N 0 1 236.315 2.067 20 0 BEADMN CC/C=C\CNC(=O)Cc1[nH]nc2ccccc21 ZINC000452616308 387878096 /nfs/dbraw/zinc/87/80/96/387878096.db2.gz VHPWTAJNIZVQIQ-UTCJRWHESA-N 0 1 243.310 2.188 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@H](C)C1CC1 ZINC000645744051 387884020 /nfs/dbraw/zinc/88/40/20/387884020.db2.gz FGYOBPDPRCCZRO-FZMZJTMJSA-N 0 1 246.354 2.157 20 0 BEADMN CC[C@@H](CO)NCc1c(F)cc(C)cc1F ZINC000424178756 387889137 /nfs/dbraw/zinc/88/91/37/387889137.db2.gz RZPNJTMNRURYDX-VIFPVBQESA-N 0 1 229.270 2.134 20 0 BEADMN O=C([C@H]1CC=CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000195080194 387905725 /nfs/dbraw/zinc/90/57/25/387905725.db2.gz QWWKOBYROVRFBT-UONOGXRCSA-N 0 1 248.370 2.039 20 0 BEADMN CN(C)c1noc(-c2cc(Cl)ccc2O)n1 ZINC000163726656 387909662 /nfs/dbraw/zinc/90/96/62/387909662.db2.gz NFXFFSJUMNNGOE-UHFFFAOYSA-N 0 1 239.662 2.162 20 0 BEADMN Cc1cn[nH]c1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424189460 387910353 /nfs/dbraw/zinc/91/03/53/387910353.db2.gz DQFXZSQAQMZLIN-ZIAGYGMSSA-N 0 1 245.301 2.445 20 0 BEADMN COc1cnccc1[C@@H](C)NCc1ccn(C)c1 ZINC000438478654 387937298 /nfs/dbraw/zinc/93/72/98/387937298.db2.gz NJGCKQDAXOXIQP-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](C(C)C)C1 ZINC000444754205 387922183 /nfs/dbraw/zinc/92/21/83/387922183.db2.gz SKZMNAVFRJAQEN-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CCN(CC(=O)Nc1nc(C)cs1)C(C)C ZINC000195527214 387922441 /nfs/dbraw/zinc/92/24/41/387922441.db2.gz MSUMEQVWWXIISM-UHFFFAOYSA-N 0 1 241.360 2.120 20 0 BEADMN CN(Cc1ccc(Cl)o1)CC1(CO)CC1 ZINC000438345401 387926895 /nfs/dbraw/zinc/92/68/95/387926895.db2.gz HDQOAOHUSGCHRX-UHFFFAOYSA-N 0 1 229.707 2.137 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)[C@@H](C)[C@@H](C)O1 ZINC000438367276 387928534 /nfs/dbraw/zinc/92/85/34/387928534.db2.gz ZMISKVKBISDQBA-GRYCIOLGSA-N 0 1 222.332 2.023 20 0 BEADMN CC(C)CCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000450345541 387953505 /nfs/dbraw/zinc/95/35/05/387953505.db2.gz BDFMWLNQDATHHO-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc([C@H](C)NCc2n[nH]c(C)n2)c(C)o1 ZINC000392343946 387956300 /nfs/dbraw/zinc/95/63/00/387956300.db2.gz DBSXMEHSSAAEFU-QMMMGPOBSA-N 0 1 234.303 2.174 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])nc1 ZINC000424269187 387948621 /nfs/dbraw/zinc/94/86/21/387948621.db2.gz MDTBAJRRHVUNPS-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])nc1 ZINC000424269188 387948637 /nfs/dbraw/zinc/94/86/37/387948637.db2.gz MDTBAJRRHVUNPS-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN CCN(CC(=O)NC1(CC)CCCC1)C1CC1 ZINC000452975429 387949435 /nfs/dbraw/zinc/94/94/35/387949435.db2.gz MZJOXJYPXONSTO-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@@H](CO)C1 ZINC000245552105 387958753 /nfs/dbraw/zinc/95/87/53/387958753.db2.gz QEAYHDWNQSUURL-WDEREUQCSA-N 0 1 246.310 2.203 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)C1CCC1 ZINC000424310255 387963873 /nfs/dbraw/zinc/96/38/73/387963873.db2.gz RVENIJCCWVOXRA-NSHDSACASA-N 0 1 235.331 2.154 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000645881547 387966716 /nfs/dbraw/zinc/96/67/16/387966716.db2.gz BCOPXCHAIXUSHB-MELADBBJSA-N 0 1 248.370 2.430 20 0 BEADMN CC[C@H]1CN(C)CC[N@H+]1CC1=CCCC1 ZINC000645923381 387972965 /nfs/dbraw/zinc/97/29/65/387972965.db2.gz XPALPTMYJCYUST-ZDUSSCGKSA-N 0 1 208.349 2.123 20 0 BEADMN CC[C@@]1(C)CN(C[C@H]2CCCCO2)CCO1 ZINC000249001359 387974834 /nfs/dbraw/zinc/97/48/34/387974834.db2.gz YTWOZSYBZVVITA-OLZOCXBDSA-N 0 1 227.348 2.056 20 0 BEADMN c1nc2c(s1)CN(C[C@H]1CCCCO1)CC2 ZINC000446065682 387989841 /nfs/dbraw/zinc/98/98/41/387989841.db2.gz BINHHWJVWHZVPQ-SNVBAGLBSA-N 0 1 238.356 2.070 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN(CC)C1CC1 ZINC000045770992 387993960 /nfs/dbraw/zinc/99/39/60/387993960.db2.gz JWUSHKWTMLKEQF-GFCCVEGCSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@H]1CCCCN1C(=O)CN(CC)C1CC1 ZINC000045770993 387995008 /nfs/dbraw/zinc/99/50/08/387995008.db2.gz JWUSHKWTMLKEQF-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)[C@H](C)[C@H](C)O1 ZINC000446083676 387997658 /nfs/dbraw/zinc/99/76/58/387997658.db2.gz RVQNDROKOCRGHV-UTUOFQBUSA-N 0 1 229.364 2.299 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000453180972 388003735 /nfs/dbraw/zinc/00/37/35/388003735.db2.gz QJLVBTMIYCTGFO-CYZMBNFOSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@H]2CCC(C)(C)O2)c2nccn21 ZINC000453190712 388006572 /nfs/dbraw/zinc/00/65/72/388006572.db2.gz AHAAJKACSJXRKS-IJLUTSLNSA-N 0 1 249.358 2.436 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453142640 387996722 /nfs/dbraw/zinc/99/67/22/387996722.db2.gz LOZKEDMRGOQLCG-LMLFDSFASA-N 0 1 237.372 2.373 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)[nH]n1 ZINC000246152189 388013558 /nfs/dbraw/zinc/01/35/58/388013558.db2.gz HFQRITGSWWQZPX-IAZYJMLFSA-N 0 1 249.358 2.202 20 0 BEADMN COCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000246154335 388015466 /nfs/dbraw/zinc/01/54/66/388015466.db2.gz KNBZUZWOQMJTRX-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN CCn1ccnc1[C@H](C)NC1CC(C)(F)C1 ZINC000453227906 388016641 /nfs/dbraw/zinc/01/66/41/388016641.db2.gz BLGYVYCAZKPFOS-BMQDGWLCSA-N 0 1 225.311 2.444 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccccc1 ZINC000082278640 388021798 /nfs/dbraw/zinc/02/17/98/388021798.db2.gz VLLXDIQVPMMHCN-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN CC[C@@H](N[C@@H](C)CCCOC)C(F)F ZINC000453242875 388022089 /nfs/dbraw/zinc/02/20/89/388022089.db2.gz HYHPHRVOGRVJCY-DTWKUNHWSA-N 0 1 209.280 2.435 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404183 388051651 /nfs/dbraw/zinc/05/16/51/388051651.db2.gz SVFXIOAJUFBTDS-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN CCc1nc(CN[C@H](COC)C(C)C)cs1 ZINC000083399613 388051727 /nfs/dbraw/zinc/05/17/27/388051727.db2.gz IUHZDKVOCFEUQA-LLVKDONJSA-N 0 1 242.388 2.466 20 0 BEADMN COCC(COC)N[C@@H](C)c1cc(C)c(C)o1 ZINC000453339127 388052496 /nfs/dbraw/zinc/05/24/96/388052496.db2.gz LUMACMQYDOVZDG-JTQLQIEISA-N 0 1 241.331 2.208 20 0 BEADMN CC[C@H](F)CN1CCC(c2ccnn2C)CC1 ZINC000440691711 388066695 /nfs/dbraw/zinc/06/66/95/388066695.db2.gz FKOQELFZKNPQKF-LBPRGKRZSA-N 0 1 239.338 2.348 20 0 BEADMN CCCc1ncc(CN[C@H](COC)C2CC2)o1 ZINC000453394167 388069714 /nfs/dbraw/zinc/06/97/14/388069714.db2.gz SDZGYDCPWHKZSR-GFCCVEGCSA-N 0 1 238.331 2.142 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@H](c2nccn2C)C2CC2)O1 ZINC000453403004 388073332 /nfs/dbraw/zinc/07/33/32/388073332.db2.gz GKSGQQPZMVEBQS-RTXFEEFZSA-N 0 1 249.358 2.028 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@H]1CC[C@@H](C)O1 ZINC000453407772 388075906 /nfs/dbraw/zinc/07/59/06/388075906.db2.gz MNZSDESPMMWVHT-WOPDTQHZSA-N 0 1 237.347 2.121 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cnc(C)cn1 ZINC000453411788 388076782 /nfs/dbraw/zinc/07/67/82/388076782.db2.gz CGLWIDGTULQOQD-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CCC1CN(Cc2cccc(O)c2OC)C1 ZINC000453604244 388090866 /nfs/dbraw/zinc/09/08/66/388090866.db2.gz MXPVDKMEXXJVDK-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2cc[nH]n2)C12CCCC2 ZINC000085680480 388094207 /nfs/dbraw/zinc/09/42/07/388094207.db2.gz KKCKLJCBISAYFG-CHWSQXEVSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1ncccc1CNCc1ccoc1 ZINC000163855194 388095638 /nfs/dbraw/zinc/09/56/38/388095638.db2.gz WHQPFGIZSNOOCL-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](C)[C@@H]1CC ZINC000447882642 388099915 /nfs/dbraw/zinc/09/99/15/388099915.db2.gz PXIMSNHDIDBQAV-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000086726657 388108186 /nfs/dbraw/zinc/10/81/86/388108186.db2.gz BPTKCLYYAJVBMX-DGCLKSJQSA-N 0 1 233.311 2.339 20 0 BEADMN CC/C=C\CN[C@H](c1nccn1C)C1CC1 ZINC000453327550 388047619 /nfs/dbraw/zinc/04/76/19/388047619.db2.gz STUQQVQKRIPOFD-RXNFCKPNSA-N 0 1 219.332 2.427 20 0 BEADMN C[C@H](N[C@H]1CSC[C@@H]1C)c1ccon1 ZINC000449237376 388159910 /nfs/dbraw/zinc/15/99/10/388159910.db2.gz NTNJJNWCNFKUDT-NRPADANISA-N 0 1 212.318 2.077 20 0 BEADMN COc1nccc(C[N@@H+](C)C[C@H]2CC=CCC2)n1 ZINC000449241820 388160712 /nfs/dbraw/zinc/16/07/12/388160712.db2.gz UXHDAMHEGXPVTM-LBPRGKRZSA-N 0 1 247.342 2.273 20 0 BEADMN CC[C@H](CO)N(C)Cc1cnc(C(C)C)s1 ZINC000449378151 388187710 /nfs/dbraw/zinc/18/77/10/388187710.db2.gz WADYYAQFELQCIX-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN C[C@H](NCC(F)(F)CO)[C@H]1CCCC[C@H]1C ZINC000449254502 388163445 /nfs/dbraw/zinc/16/34/45/388163445.db2.gz YIVMAZRXIYHULD-VWYCJHECSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H](CC(C)(C)C)NCc1nc(N(C)C)no1 ZINC000449259194 388163663 /nfs/dbraw/zinc/16/36/63/388163663.db2.gz SQBJKWYIAFDKNX-VIFPVBQESA-N 0 1 240.351 2.050 20 0 BEADMN CC[C@H](C)[N@@H+](CC[C@H]1CCCCO1)CC(=O)[O-] ZINC000455646986 388165425 /nfs/dbraw/zinc/16/54/25/388165425.db2.gz SNWVBRMFRIBMRB-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@H]1C1CCC1 ZINC000449379158 388188000 /nfs/dbraw/zinc/18/80/00/388188000.db2.gz GYFWAZWSRYKGLX-WDEREUQCSA-N 0 1 203.276 2.462 20 0 BEADMN COc1nccnc1CN[C@@H]1CCC12CCCC2 ZINC000449286632 388167898 /nfs/dbraw/zinc/16/78/98/388167898.db2.gz VDIRHOIKROTLBS-GFCCVEGCSA-N 0 1 247.342 2.298 20 0 BEADMN Cc1cnc(CN[C@H](CO)CC2CCC2)s1 ZINC000449296902 388168611 /nfs/dbraw/zinc/16/86/11/388168611.db2.gz DJYFYLOJXNPWLJ-NSHDSACASA-N 0 1 240.372 2.092 20 0 BEADMN COC[C@H]1CCN1Cc1cc2cccnc2o1 ZINC000449341914 388177183 /nfs/dbraw/zinc/17/71/83/388177183.db2.gz XJVWTPWFDJDMKV-LLVKDONJSA-N 0 1 232.283 2.049 20 0 BEADMN CCc1nc(CNCC=Cc2ccccc2)n[nH]1 ZINC000449344124 388178168 /nfs/dbraw/zinc/17/81/68/388178168.db2.gz BASQLYLVSBFFKE-TWGQIWQCSA-N 0 1 242.326 2.170 20 0 BEADMN CC[C@@H](N[C@H]1CCCOCC1)C(F)F ZINC000449356540 388180772 /nfs/dbraw/zinc/18/07/72/388180772.db2.gz AFDRPTJDXPYVDH-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@H](NCC[C@H]1CCOC1)C(F)F ZINC000449366672 388182852 /nfs/dbraw/zinc/18/28/52/388182852.db2.gz ZUJDIXKCUJMORW-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CCC[C@](C)(O)CNCc1csc(C)n1 ZINC000163992098 388121625 /nfs/dbraw/zinc/12/16/25/388121625.db2.gz CSWRWZHUCOSNJQ-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN CCC1CCN(Cc2c(C)nnn2CC)CC1 ZINC000449013380 388129923 /nfs/dbraw/zinc/12/99/23/388129923.db2.gz CFUFZKXXFBQFKY-UHFFFAOYSA-N 0 1 236.363 2.228 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000449027007 388131575 /nfs/dbraw/zinc/13/15/75/388131575.db2.gz HDOYOFDXRYTPQZ-NEPJUHHUSA-N 0 1 249.358 2.496 20 0 BEADMN CCOC1CCN(Cc2conc2CC)CC1 ZINC000646059340 388134908 /nfs/dbraw/zinc/13/49/08/388134908.db2.gz BYJQEVALYPNFOH-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H]1CC1(C)C ZINC000449122164 388145213 /nfs/dbraw/zinc/14/52/13/388145213.db2.gz KJLLFFXRSGCHPG-WCQYABFASA-N 0 1 246.354 2.157 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H](C)CC1CC1 ZINC000449124053 388145313 /nfs/dbraw/zinc/14/53/13/388145313.db2.gz PLDGQDJACOIXNS-RISCZKNCSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H](C)CC1CC1 ZINC000449124050 388145553 /nfs/dbraw/zinc/14/55/53/388145553.db2.gz PLDGQDJACOIXNS-BXUZGUMPSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000449140606 388147501 /nfs/dbraw/zinc/14/75/01/388147501.db2.gz NYMUSLOUSPEOSJ-OBJOEFQTSA-N 0 1 246.354 2.109 20 0 BEADMN Nc1ccnc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000646138279 388153874 /nfs/dbraw/zinc/15/38/74/388153874.db2.gz AFOJZWRRZLOCQW-GFCCVEGCSA-N 0 1 246.358 2.044 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@H]1C1CC1 ZINC000449381035 388189232 /nfs/dbraw/zinc/18/92/32/388189232.db2.gz QFJMZKPCGHFIBM-WDEREUQCSA-N 0 1 203.276 2.462 20 0 BEADMN COC[C@]1(C)CCN(Cc2ccncc2F)C1 ZINC000449392125 388193022 /nfs/dbraw/zinc/19/30/22/388193022.db2.gz IZXOZKIXFUOKTP-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1ccc(CCCN2CC[C@@H](F)C2)cn1 ZINC000449397200 388194061 /nfs/dbraw/zinc/19/40/61/388194061.db2.gz UNSJOUQBBHRQNH-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)CC1CCC1 ZINC000456372004 388197520 /nfs/dbraw/zinc/19/75/20/388197520.db2.gz HAZYLCAZLFOOLN-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)CCC1CC1 ZINC000456366557 388197863 /nfs/dbraw/zinc/19/78/63/388197863.db2.gz DBZUUISMFRRYEF-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCC1(NCc2ccn(C(F)F)n2)CC1 ZINC000449413834 388198431 /nfs/dbraw/zinc/19/84/31/388198431.db2.gz KHFOFDCAZHAHNZ-UHFFFAOYSA-N 0 1 215.247 2.310 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456528537 388206677 /nfs/dbraw/zinc/20/66/77/388206677.db2.gz KZXMGRJLKUFBEZ-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489328379 388208292 /nfs/dbraw/zinc/20/82/92/388208292.db2.gz ZMXAFOPYQVMINO-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489372333 388209789 /nfs/dbraw/zinc/20/97/89/388209789.db2.gz QOOFLVWJLZSETB-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCCCN(CC)C(=O)CN(C)[C@H]1CC1(C)C ZINC000489424291 388210990 /nfs/dbraw/zinc/21/09/90/388210990.db2.gz IMFSPIRPTHEICU-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000456671519 388215197 /nfs/dbraw/zinc/21/51/97/388215197.db2.gz XWDCMWJJJZABLM-OLZOCXBDSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)C1CCCC1 ZINC000456671519 388215200 /nfs/dbraw/zinc/21/52/00/388215200.db2.gz XWDCMWJJJZABLM-OLZOCXBDSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CC[C@@H]1NCc1nn(C)cc1Cl ZINC000449481914 388215535 /nfs/dbraw/zinc/21/55/35/388215535.db2.gz WQNLZFRQLMXPPH-SCZZXKLOSA-N 0 1 227.739 2.352 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)nc2)C[C@H]1C ZINC000449501344 388219965 /nfs/dbraw/zinc/21/99/65/388219965.db2.gz VTYMQIGNVOSTMM-RISCZKNCSA-N 0 1 249.358 2.032 20 0 BEADMN CCO[C@H]1CCN(Cc2ccnc(C)n2)C[C@H]1C ZINC000449510602 388221378 /nfs/dbraw/zinc/22/13/78/388221378.db2.gz XKZBNQSAKQETBV-RISCZKNCSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1ccoc1 ZINC000087289924 322813854 /nfs/dbraw/zinc/81/38/54/322813854.db2.gz BFZDJWNHEKMBAC-QMMMGPOBSA-N 0 1 205.261 2.162 20 0 BEADMN CC[C@H](CN1CC(=O)N[C@H](C)C1)c1ccccc1 ZINC000449520534 388223153 /nfs/dbraw/zinc/22/31/53/388223153.db2.gz FGZONADQSVZBNX-CHWSQXEVSA-N 0 1 246.354 2.001 20 0 BEADMN C=Cn1cc(CN2CCSC[C@@H]2C2CC2)cn1 ZINC000449528600 388224836 /nfs/dbraw/zinc/22/48/36/388224836.db2.gz QMSNJRAITHHCKB-CYBMUJFWSA-N 0 1 249.383 2.311 20 0 BEADMN C=Cn1cc(CN2CCSC[C@H]2C2CC2)cn1 ZINC000449528601 388225495 /nfs/dbraw/zinc/22/54/95/388225495.db2.gz QMSNJRAITHHCKB-ZDUSSCGKSA-N 0 1 249.383 2.311 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1CNC(=O)CN(C)C ZINC000456840465 388226283 /nfs/dbraw/zinc/22/62/83/388226283.db2.gz PRWWLZWNQJSGTJ-QWHCGFSZSA-N 0 1 240.391 2.271 20 0 BEADMN CCCCCN(CCOC)Cc1ccnn1C ZINC000489848727 388226469 /nfs/dbraw/zinc/22/64/69/388226469.db2.gz UDJDNYKTCTYSTD-UHFFFAOYSA-N 0 1 239.363 2.059 20 0 BEADMN COC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490042192 388232488 /nfs/dbraw/zinc/23/24/88/388232488.db2.gz IECGGNHHLFEMRO-GXTWGEPZSA-N 0 1 247.338 2.346 20 0 BEADMN CCSCCN[C@H](C)c1nccn1CC ZINC000449562799 388233074 /nfs/dbraw/zinc/23/30/74/388233074.db2.gz OEJUZKPXLPADGT-SNVBAGLBSA-N 0 1 227.377 2.307 20 0 BEADMN CC[C@H]1CN(CC)CCN1Cc1nccs1 ZINC000449564411 388234071 /nfs/dbraw/zinc/23/40/71/388234071.db2.gz ANQUGWURFCHJEN-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H](C)COC(C)C ZINC000449567910 388234872 /nfs/dbraw/zinc/23/48/72/388234872.db2.gz ZIEFTWBWPTXIOO-VXGBXAGGSA-N 0 1 239.363 2.367 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000449566664 388235050 /nfs/dbraw/zinc/23/50/50/388235050.db2.gz QCUGLACECVLIEZ-NOOOWODRSA-N 0 1 237.347 2.120 20 0 BEADMN Cc1ccoc1CNCCOCC1CC1 ZINC000164533024 388239853 /nfs/dbraw/zinc/23/98/53/388239853.db2.gz GBADUWOMNICBKS-UHFFFAOYSA-N 0 1 209.289 2.104 20 0 BEADMN COCc1cc(CNCC2(C3CC3)CC2)no1 ZINC000459444118 388244725 /nfs/dbraw/zinc/24/47/25/388244725.db2.gz FIFDKCFXRUFLBZ-UHFFFAOYSA-N 0 1 236.315 2.101 20 0 BEADMN CC[C@H](C)[NH+]1CCN(CC2(SC)CC2)CC1 ZINC000449625799 388245189 /nfs/dbraw/zinc/24/51/89/388245189.db2.gz CDFOQYPFXCVWOT-LBPRGKRZSA-N 0 1 242.432 2.298 20 0 BEADMN CC[C@H](C)N1CC[NH+](CC(C)(C)COC)CC1 ZINC000449629832 388246223 /nfs/dbraw/zinc/24/62/23/388246223.db2.gz LIDPMSPCYREHAJ-ZDUSSCGKSA-N 0 1 242.407 2.075 20 0 BEADMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)C12CCC2 ZINC000449633069 388246268 /nfs/dbraw/zinc/24/62/68/388246268.db2.gz OQRFILFRUADKGF-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN Cc1cc(CN(C)[C@H](CO)CC(C)(C)C)on1 ZINC000451775721 388295351 /nfs/dbraw/zinc/29/53/51/388295351.db2.gz FABJAWOUICRNPO-NSHDSACASA-N 0 1 240.347 2.212 20 0 BEADMN CC(C)c1cc(NC2CCCC2)nc(N(C)C)n1 ZINC000462120866 388264154 /nfs/dbraw/zinc/26/41/54/388264154.db2.gz VQESWWALUQHTPY-UHFFFAOYSA-N 0 1 248.374 2.442 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC(CF)CC1 ZINC000451395653 388269235 /nfs/dbraw/zinc/26/92/35/388269235.db2.gz RFBAZLTWMRLQRU-LBPRGKRZSA-N 0 1 245.338 2.256 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(C)ncn2)C[C@@H]1C ZINC000451526246 388279226 /nfs/dbraw/zinc/27/92/26/388279226.db2.gz GKXGZLLVQQXXDR-SMDDNHRTSA-N 0 1 249.358 2.032 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)/C=C\C(C)(C)C)CCN1C ZINC000492366762 388342608 /nfs/dbraw/zinc/34/26/08/388342608.db2.gz VLVMZCYBEXNHPT-WZIXFXTNSA-N 0 1 238.375 2.140 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1cscn1 ZINC000276156908 388345993 /nfs/dbraw/zinc/34/59/93/388345993.db2.gz QBACFZSHFHMWFA-YIZRAAEISA-N 0 1 214.334 2.217 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC2=CCCCC2)C1 ZINC000516576171 388354488 /nfs/dbraw/zinc/35/44/88/388354488.db2.gz MZPCHQAFUAMRJX-ZDUSSCGKSA-N 0 1 223.316 2.283 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2O)C1 ZINC000235320805 388367643 /nfs/dbraw/zinc/36/76/43/388367643.db2.gz MDRWTWUVBINJNR-PSASIEDQSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000235492757 388371135 /nfs/dbraw/zinc/37/11/35/388371135.db2.gz MEWAJSNDHPYJEO-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN Cc1cnc(CNC[C@@H](O)c2ccccc2)s1 ZINC000294894557 388405483 /nfs/dbraw/zinc/40/54/83/388405483.db2.gz YPHHHSFDHLAMPB-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1cscc1Cl ZINC000648800827 388373350 /nfs/dbraw/zinc/37/33/50/388373350.db2.gz UUZVLWHBZCJPNC-GMSGAONNSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000572826999 388378931 /nfs/dbraw/zinc/37/89/31/388378931.db2.gz PEPHCQDWTNPYEY-GFCCVEGCSA-N 0 1 233.359 2.169 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCCCC2)C1 ZINC000646560974 388382107 /nfs/dbraw/zinc/38/21/07/388382107.db2.gz HKROBGZBXBHKPM-ZYHUDNBSSA-N 0 1 247.342 2.088 20 0 BEADMN Cc1nocc1CNCCOCCC(C)C ZINC000293601714 388389232 /nfs/dbraw/zinc/38/92/32/388389232.db2.gz OYSWKLRDCYGCNF-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CCC[C@@H](O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293550160 388389648 /nfs/dbraw/zinc/38/96/48/388389648.db2.gz KZEITOHNQREOOB-SNVBAGLBSA-N 0 1 243.734 2.296 20 0 BEADMN CO[C@@H](CN[C@H](C)c1nccs1)C1CC1 ZINC000293862397 388392966 /nfs/dbraw/zinc/39/29/66/388392966.db2.gz ZAIWRPCXXWPBGX-SCZZXKLOSA-N 0 1 226.345 2.219 20 0 BEADMN CCCCN(C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000646602370 388393621 /nfs/dbraw/zinc/39/36/21/388393621.db2.gz JEVHQUFQACNOAY-JQWIXIFHSA-N 0 1 249.358 2.334 20 0 BEADMN CCN(C)C(=O)CN[C@H](C)c1csc(C)c1 ZINC000294306034 388399048 /nfs/dbraw/zinc/39/90/48/388399048.db2.gz VNLVVBFEYAIBDY-SNVBAGLBSA-N 0 1 240.372 2.185 20 0 BEADMN COC(C)(C)CN(C)Cc1cncn1C(C)C ZINC000572994381 388403571 /nfs/dbraw/zinc/40/35/71/388403571.db2.gz CFHTXLFKJFKARJ-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN O=C(C=CC1CCC1)Nc1ccc2[nH]nnc2c1 ZINC000492146598 388336513 /nfs/dbraw/zinc/33/65/13/388336513.db2.gz TZLZAZGDLHGJIG-QPJJXVBHSA-N 0 1 242.282 2.253 20 0 BEADMN CCc1nc(NC(=O)C=Cc2ccsc2)n[nH]1 ZINC000492151832 388336634 /nfs/dbraw/zinc/33/66/34/388336634.db2.gz BIUNWTCQHUYRBQ-ONEGZZNKSA-N 0 1 248.311 2.081 20 0 BEADMN CCc1n[nH]c(NC(=O)C=Cc2ccsc2)n1 ZINC000492151832 388336635 /nfs/dbraw/zinc/33/66/35/388336635.db2.gz BIUNWTCQHUYRBQ-ONEGZZNKSA-N 0 1 248.311 2.081 20 0 BEADMN CC[C@](C)(CN[C@@H]1C[C@H](C)n2ccnc21)OC ZINC000322595519 388440347 /nfs/dbraw/zinc/44/03/47/388440347.db2.gz HEHPSOOQEICTTG-DMDPSCGWSA-N 0 1 237.347 2.294 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@H]2C)oc1C ZINC000335589812 388452136 /nfs/dbraw/zinc/45/21/36/388452136.db2.gz CGQGEWIHYXREBI-XCBNKYQSSA-N 0 1 226.345 2.133 20 0 BEADMN C[N@@H+](Cc1cccc(O)c1)[C@H]1CCCOC1 ZINC000335869953 388454960 /nfs/dbraw/zinc/45/49/60/388454960.db2.gz GJBJNYZHVOAOLS-LBPRGKRZSA-N 0 1 221.300 2.003 20 0 BEADMN Cn1cnc(CN[C@H]2CCCC23CCCC3)n1 ZINC000335919473 388455523 /nfs/dbraw/zinc/45/55/23/388455523.db2.gz LJIIQFSEHUWNFO-NSHDSACASA-N 0 1 234.347 2.018 20 0 BEADMN CCC1(CC)CN(C[C@](C)(O)C(F)(F)F)C1 ZINC000336654630 388458332 /nfs/dbraw/zinc/45/83/32/388458332.db2.gz DDVQLDCSRWSYQJ-VIFPVBQESA-N 0 1 239.281 2.422 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CC1CC1 ZINC000082776934 256747909 /nfs/dbraw/zinc/74/79/09/256747909.db2.gz GROHTQANSLNILR-VIFPVBQESA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)n1c(=[NH2+])[n-]nc1SCC[C@@H](C)F ZINC000336695420 388463736 /nfs/dbraw/zinc/46/37/36/388463736.db2.gz NWCXZSQUMQVVQC-SSDOTTSWSA-N 0 1 232.328 2.112 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cn1 ZINC000405554994 388478423 /nfs/dbraw/zinc/47/84/23/388478423.db2.gz PWJXFBHLRSPWSR-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nc([C@H](C)NC[C@H](O)C2CCC2)cs1 ZINC000316271443 388408225 /nfs/dbraw/zinc/40/82/25/388408225.db2.gz GTSSZVVWNIHURL-UFBFGSQYSA-N 0 1 240.372 2.263 20 0 BEADMN CO[C@@H](CNCc1ncc(C)s1)C(C)C ZINC000295846197 388411689 /nfs/dbraw/zinc/41/16/89/388411689.db2.gz WEEJUTPQQWXOPH-JTQLQIEISA-N 0 1 228.361 2.212 20 0 BEADMN CCSc1nc(-c2ccccc2O)n[nH]1 ZINC000193044807 388419802 /nfs/dbraw/zinc/41/98/02/388419802.db2.gz MAYVMFNRFPKAPW-UHFFFAOYSA-N 0 1 221.285 2.289 20 0 BEADMN C[C@H](CC(C)(C)O)N[C@H](C)c1cscn1 ZINC000296549594 388424024 /nfs/dbraw/zinc/42/40/24/388424024.db2.gz RKXYOKLNIGTXND-RKDXNWHRSA-N 0 1 228.361 2.343 20 0 BEADMN C[C@@H](N[C@@H](C)CC(C)(C)O)c1cscn1 ZINC000296549589 388424122 /nfs/dbraw/zinc/42/41/22/388424122.db2.gz RKXYOKLNIGTXND-DTWKUNHWSA-N 0 1 228.361 2.343 20 0 BEADMN CC(C)CSCCN[C@@H]1CCn2ccnc21 ZINC000296766608 388426266 /nfs/dbraw/zinc/42/62/66/388426266.db2.gz KJQOTMXTMQKABZ-LLVKDONJSA-N 0 1 239.388 2.307 20 0 BEADMN CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000175229013 388428007 /nfs/dbraw/zinc/42/80/07/388428007.db2.gz JRQGTNAJTIYQOY-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)NCc1cnc[nH]1 ZINC000308092095 388431337 /nfs/dbraw/zinc/43/13/37/388431337.db2.gz SWJZIJRKGBRSAW-NSHDSACASA-N 0 1 237.347 2.488 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NCc1cnc[nH]1 ZINC000308088605 388431397 /nfs/dbraw/zinc/43/13/97/388431397.db2.gz NPRXZXISQMIPGW-JTQLQIEISA-N 0 1 223.320 2.098 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000308089852 388431482 /nfs/dbraw/zinc/43/14/82/388431482.db2.gz PFRSYBROJUXDSX-ZJUUUORDSA-N 0 1 238.335 2.054 20 0 BEADMN C[C@@H](N(C)Cc1ncccc1Cl)C(C)(C)O ZINC000528517209 388540090 /nfs/dbraw/zinc/54/00/90/388540090.db2.gz HSWIRFOTVWPRNJ-SECBINFHSA-N 0 1 242.750 2.326 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000517172216 388540533 /nfs/dbraw/zinc/54/05/33/388540533.db2.gz UZFMMTOHNZADPT-WDEREUQCSA-N 0 1 237.347 2.093 20 0 BEADMN c1nc(CNCC2(c3ccccn3)CCC2)co1 ZINC000517405894 388550501 /nfs/dbraw/zinc/55/05/01/388550501.db2.gz IJSSNPCWJXJODX-UHFFFAOYSA-N 0 1 243.310 2.281 20 0 BEADMN C/C(Cl)=C/C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000528523536 388542157 /nfs/dbraw/zinc/54/21/57/388542157.db2.gz AUVKKSQDPBRVAM-QSIGNLDFSA-N 0 1 217.740 2.079 20 0 BEADMN COC[C@@H](C)NCc1cccc(O)c1Cl ZINC000339330429 388482274 /nfs/dbraw/zinc/48/22/74/388482274.db2.gz BRYCRZIIVIPJMQ-MRVPVSSYSA-N 0 1 229.707 2.170 20 0 BEADMN CCc1cc(CN[C@H](C)C(C)(C)OC)on1 ZINC000378684355 388482589 /nfs/dbraw/zinc/48/25/89/388482589.db2.gz AEGAVIMOZRYNMH-SECBINFHSA-N 0 1 226.320 2.140 20 0 BEADMN C[C@@H](F)CCNCc1ccn(C(F)F)n1 ZINC000339488466 388484203 /nfs/dbraw/zinc/48/42/03/388484203.db2.gz PAWJAQPJBWGEOG-SSDOTTSWSA-N 0 1 221.226 2.116 20 0 BEADMN C[C@H](NCc1cscn1)[C@@]1(C)CCCO1 ZINC000340213303 388488501 /nfs/dbraw/zinc/48/85/01/388488501.db2.gz CEOKFSRMSDXZHO-GXSJLCMTSA-N 0 1 226.345 2.190 20 0 BEADMN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1O ZINC000397663184 388488765 /nfs/dbraw/zinc/48/87/65/388488765.db2.gz JVPIFRADXRTUAZ-DIYOJNKTSA-N 0 1 235.258 2.060 20 0 BEADMN C[C@@H](NCc1cscn1)[C@]1(C)CCCO1 ZINC000340213311 388488784 /nfs/dbraw/zinc/48/87/84/388488784.db2.gz CEOKFSRMSDXZHO-KOLCDFICSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCC[C@]1(C)CO ZINC000547832061 388490796 /nfs/dbraw/zinc/49/07/96/388490796.db2.gz ZERNFURHATZFES-CQSZACIVSA-N 0 1 237.318 2.481 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC2=CCCCC2)C1 ZINC000516576170 256794110 /nfs/dbraw/zinc/79/41/10/256794110.db2.gz MZPCHQAFUAMRJX-CYBMUJFWSA-N 0 1 223.316 2.283 20 0 BEADMN CC(C)[C@H](C)CNC(=O)CN1CCC(C)CC1 ZINC000178232607 388497045 /nfs/dbraw/zinc/49/70/45/388497045.db2.gz VXABWRLSWHNMQA-CYBMUJFWSA-N 0 1 240.391 2.127 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1[C@H](C)C[C@@H]1C ZINC000548097698 388512029 /nfs/dbraw/zinc/51/20/29/388512029.db2.gz UPFVPRSZVFYUHJ-AXFHLTTASA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@H](N)c1ccccc1 ZINC000398050385 388515625 /nfs/dbraw/zinc/51/56/25/388515625.db2.gz VXIPQAUHTKLZDO-SMDDNHRTSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000517006698 388530991 /nfs/dbraw/zinc/53/09/91/388530991.db2.gz RDKUBQLMGLXLFK-DDFAGTSDSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1nc(C)c(C)[nH]1)OC ZINC000516981194 388531446 /nfs/dbraw/zinc/53/14/46/388531446.db2.gz GRZRXFKIDHUEOX-SKDRFNHKSA-N 0 1 239.363 2.177 20 0 BEADMN C/C(Cl)=C\CN1CC[C@@H](O)C(C)(C)C1 ZINC000528478708 388532651 /nfs/dbraw/zinc/53/26/51/388532651.db2.gz ZPUPAPHYOWDEIX-WXLQGSQKSA-N 0 1 217.740 2.222 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1[C@@H](C)C[C@@H]1C ZINC000548426837 388536707 /nfs/dbraw/zinc/53/67/07/388536707.db2.gz NGEJWWMRNJKZLJ-AVGNSLFASA-N 0 1 240.391 2.362 20 0 BEADMN CCN(C/C=C(/C)Cl)[C@H]1CCOC1 ZINC000528505382 388536731 /nfs/dbraw/zinc/53/67/31/388536731.db2.gz CACPAVISDLQUCH-FWAPLPHYSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H](C)CC(F)F)c1C ZINC000648961412 388586978 /nfs/dbraw/zinc/58/69/78/388586978.db2.gz BWGLWXWSKSCQHU-ZCFIWIBFSA-N 0 1 245.273 2.048 20 0 BEADMN CCCCCC(=O)N1CCN(C)C(C)(C)C1 ZINC000549725207 388589861 /nfs/dbraw/zinc/58/98/61/388589861.db2.gz XAKNCBQNNSNXHJ-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@@H](C)[C@H]1C ZINC000245720765 388600812 /nfs/dbraw/zinc/60/08/12/388600812.db2.gz ARGPDIJNTXYZQJ-GHMZBOCLSA-N 0 1 236.363 2.227 20 0 BEADMN CCCCC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165093 388618487 /nfs/dbraw/zinc/61/84/87/388618487.db2.gz DJVBSRGQMGFWKQ-GFCCVEGCSA-N 0 1 237.299 2.454 20 0 BEADMN O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccco1 ZINC000530026706 388605496 /nfs/dbraw/zinc/60/54/96/388605496.db2.gz NMIDWUKPJCASEH-LBPRGKRZSA-N 0 1 248.326 2.026 20 0 BEADMN CC(C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530027975 388606128 /nfs/dbraw/zinc/60/61/28/388606128.db2.gz SEVPKOQARVCQOT-CYBMUJFWSA-N 0 1 238.375 2.166 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CC1CCCC1 ZINC000530165722 388618072 /nfs/dbraw/zinc/61/80/72/388618072.db2.gz SOKYMADFRCEFED-ZDUSSCGKSA-N 0 1 249.310 2.454 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CC1CCCC1 ZINC000530165721 388618163 /nfs/dbraw/zinc/61/81/63/388618163.db2.gz SOKYMADFRCEFED-CYBMUJFWSA-N 0 1 249.310 2.454 20 0 BEADMN CC(C)(C(=O)NCCC1=CCCC1)c1cnc[nH]1 ZINC000548744871 388555959 /nfs/dbraw/zinc/55/59/59/388555959.db2.gz KVIOASZUYJTXEA-UHFFFAOYSA-N 0 1 247.342 2.304 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)N1[C@H](C)C[C@@H]1C ZINC000548752720 388556512 /nfs/dbraw/zinc/55/65/12/388556512.db2.gz CNYUJIJOZKHEEX-TUAOUCFPSA-N 0 1 238.375 2.307 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC[S@@](=O)c1ccccc1 ZINC000548754067 388557704 /nfs/dbraw/zinc/55/77/04/388557704.db2.gz NARJREOBRKBOQL-XHBSWPGZSA-N 0 1 237.368 2.277 20 0 BEADMN CO[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000362977752 388563064 /nfs/dbraw/zinc/56/30/64/388563064.db2.gz UIMCAZJEMZMLPU-QJPTWQEYSA-N 0 1 237.347 2.150 20 0 BEADMN CN(CCc1cccs1)Cc1cnccn1 ZINC000080965568 388564669 /nfs/dbraw/zinc/56/46/69/388564669.db2.gz ZTIBNBCFYQDERB-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN CC[C@H](F)CN1CCc2nc(C3CC3)ncc2C1 ZINC000528741838 388564966 /nfs/dbraw/zinc/56/49/66/388564966.db2.gz OQJWIUISCQCAEY-LBPRGKRZSA-N 0 1 249.333 2.460 20 0 BEADMN Cc1nc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(C)o1 ZINC000528758513 388567946 /nfs/dbraw/zinc/56/79/46/388567946.db2.gz JOQYOZYVJPCKCZ-PEPLHVHDSA-N 0 1 238.331 2.193 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)CN(C)C)CC1 ZINC000184059572 388574083 /nfs/dbraw/zinc/57/40/83/388574083.db2.gz KDSGATQHVYYSOW-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCCN(Cc1ccc(C)cc1)C(=O)CN(C)C ZINC000549174987 388574464 /nfs/dbraw/zinc/57/44/64/388574464.db2.gz XIJLWNFOZXYJKI-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN CC[C@H](CN[C@@H](C)c1ncccc1F)OC ZINC000528822418 388576512 /nfs/dbraw/zinc/57/65/12/388576512.db2.gz DKXZGEPDSFYURM-VHSXEESVSA-N 0 1 226.295 2.296 20 0 BEADMN CC/C=C/CCN1CC[NH+](C2CC2)CC1 ZINC000184480287 388578195 /nfs/dbraw/zinc/57/81/95/388578195.db2.gz BTIYDXHZYYXOLS-ONEGZZNKSA-N 0 1 208.349 2.123 20 0 BEADMN Cc1ccc(C)c(C(=O)N2CCCN(C)CC2)c1 ZINC000301385472 388579797 /nfs/dbraw/zinc/57/97/97/388579797.db2.gz NCUXEFQOWGJDLJ-UHFFFAOYSA-N 0 1 246.354 2.081 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@H](CC)C2)n1 ZINC000125659073 388674315 /nfs/dbraw/zinc/67/43/15/388674315.db2.gz WRTQJZIUEPGOKA-ZJUUUORDSA-N 0 1 223.320 2.425 20 0 BEADMN CCOCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248409976 388678896 /nfs/dbraw/zinc/67/88/96/388678896.db2.gz XOBOMUYKDIGSCA-HNNXBMFYSA-N 0 1 248.370 2.012 20 0 BEADMN CCOCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000248409976 388678897 /nfs/dbraw/zinc/67/88/97/388678897.db2.gz XOBOMUYKDIGSCA-HNNXBMFYSA-N 0 1 248.370 2.012 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@@]1(C)CCCO1 ZINC000551086411 388621233 /nfs/dbraw/zinc/62/12/33/388621233.db2.gz SDWOZUQDRVPGGH-ZWNOBZJWSA-N 0 1 238.306 2.268 20 0 BEADMN Clc1ncccc1CNCC1=CCCOC1 ZINC000288455036 388626925 /nfs/dbraw/zinc/62/69/25/388626925.db2.gz NMDQJNAOBULCTC-UHFFFAOYSA-N 0 1 238.718 2.171 20 0 BEADMN COCc1cccc(CN[C@H](C)CF)c1 ZINC000288474932 388627317 /nfs/dbraw/zinc/62/73/17/388627317.db2.gz PGPDJTTZSFCDNF-SNVBAGLBSA-N 0 1 211.280 2.281 20 0 BEADMN Cc1[nH]ncc1CNc1cnn([C@H](C)C2CC2)c1 ZINC000189244069 388628452 /nfs/dbraw/zinc/62/84/52/388628452.db2.gz CLONFZCPGQYPCD-SNVBAGLBSA-N 0 1 245.330 2.498 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CCC2 ZINC000521896044 388639419 /nfs/dbraw/zinc/63/94/19/388639419.db2.gz KMLDQRMTKKFTSD-LLVKDONJSA-N 0 1 247.342 2.133 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cncs1 ZINC000222519245 388639499 /nfs/dbraw/zinc/63/94/99/388639499.db2.gz DXZRMRYBTYYFBT-JGVFFNPUSA-N 0 1 222.317 2.278 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854682 388648182 /nfs/dbraw/zinc/64/81/82/388648182.db2.gz BEUMIJBOVKSKGZ-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](CC1CC1)NC(=O)c1ccc(F)cc1O ZINC000123787748 388657214 /nfs/dbraw/zinc/65/72/14/388657214.db2.gz QWBGPGAANJJIPL-MRVPVSSYSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000552779241 388737194 /nfs/dbraw/zinc/73/71/94/388737194.db2.gz OVYRFGSSZJOSAY-UHFFFAOYSA-N 0 1 216.200 2.028 20 0 BEADMN Cc1cc(C(=O)N(C)CCC(C)(C)C)n[nH]1 ZINC000649027233 388738881 /nfs/dbraw/zinc/73/88/81/388738881.db2.gz ZIPBKESKKTWUGW-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H]2CCC[C@H]2O)cs1 ZINC000250906794 388741409 /nfs/dbraw/zinc/74/14/09/388741409.db2.gz SYAFRPXSTZLXOL-PTOFAABTSA-N 0 1 240.372 2.263 20 0 BEADMN CC[N@@H+](CCc1ccccc1Cl)CC(=O)[O-] ZINC000572532923 388742690 /nfs/dbraw/zinc/74/26/90/388742690.db2.gz KICTUWVOKARKNO-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227169520 388743586 /nfs/dbraw/zinc/74/35/86/388743586.db2.gz ZKROTWRLZIIDGN-MNOVXSKESA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000227105259 388746896 /nfs/dbraw/zinc/74/68/96/388746896.db2.gz XFTFVKGJLGAZDB-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1csc(CN(C)CCCCCO)n1 ZINC000227601531 388754157 /nfs/dbraw/zinc/75/41/57/388754157.db2.gz WSSFRORCGDCYPT-UHFFFAOYSA-N 0 1 228.361 2.046 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000126104867 388688738 /nfs/dbraw/zinc/68/87/38/388688738.db2.gz YOSWCYWDRSZMJS-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1n[nH]cc1CN[C@H](c1cccnc1)C1CC1 ZINC000538420287 388689697 /nfs/dbraw/zinc/68/96/97/388689697.db2.gz LENZZHLKXVZHTP-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN COC[C@H](NCc1ccn(C(C)C)n1)C(C)C ZINC000086699311 388690555 /nfs/dbraw/zinc/69/05/55/388690555.db2.gz UJEUQUVVVYKJTA-ZDUSSCGKSA-N 0 1 239.363 2.225 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000248747829 388691975 /nfs/dbraw/zinc/69/19/75/388691975.db2.gz UNKHEEPRKRVMGC-NWDGAFQWSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000126288121 388693304 /nfs/dbraw/zinc/69/33/04/388693304.db2.gz BDDHDNLGWQWTED-UWVGGRQHSA-N 0 1 240.347 2.136 20 0 BEADMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000126288523 388693330 /nfs/dbraw/zinc/69/33/30/388693330.db2.gz BDDHDNLGWQWTED-VHSXEESVSA-N 0 1 240.347 2.136 20 0 BEADMN CCOC(=O)[C@@H](C)N(C[C@H](C)CC)C1CC1 ZINC000248946735 388701062 /nfs/dbraw/zinc/70/10/62/388701062.db2.gz DLWIGEUDMYQDCJ-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN COC(=O)CN(CCc1ccccc1)CC(C)C ZINC000195218765 388701508 /nfs/dbraw/zinc/70/15/08/388701508.db2.gz FNFSJEHBFZRHLD-UHFFFAOYSA-N 0 1 249.354 2.360 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1ccn(C(C)C)n1 ZINC000564207130 388702891 /nfs/dbraw/zinc/70/28/91/388702891.db2.gz QQWMKKGPKPEISQ-VXGBXAGGSA-N 0 1 239.388 2.448 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCSC[C@@H](C)C1 ZINC000249043492 388705852 /nfs/dbraw/zinc/70/58/52/388705852.db2.gz NJVHPQCGYOOCPE-QWRGUYRKSA-N 0 1 245.388 2.013 20 0 BEADMN COc1ccc(CN(C)C2CC2)c(OC)c1 ZINC000193508781 388707378 /nfs/dbraw/zinc/70/73/78/388707378.db2.gz UGUQZSBGUYWBHC-UHFFFAOYSA-N 0 1 221.300 2.298 20 0 BEADMN CC(C)C[C@@H](C)N(C)C(=O)CN1CCCCC1 ZINC000193508048 388707551 /nfs/dbraw/zinc/70/75/51/388707551.db2.gz NCFWLLADKMOGDR-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1oncc1CN1CCS[C@H](C)[C@H]1C ZINC000249093988 388708133 /nfs/dbraw/zinc/70/81/33/388708133.db2.gz FBWAMWBDQCKTAD-PSASIEDQSA-N 0 1 226.345 2.309 20 0 BEADMN CCn1ncnc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000193570051 388709902 /nfs/dbraw/zinc/70/99/02/388709902.db2.gz FBPFCRXRZLLJOB-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CSC[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000249275805 388714606 /nfs/dbraw/zinc/71/46/06/388714606.db2.gz LZMHKEQNIGECDR-DGCLKSJQSA-N 0 1 239.384 2.403 20 0 BEADMN COCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000127111184 388715086 /nfs/dbraw/zinc/71/50/86/388715086.db2.gz SIXSVTMSDNKFNS-UHFFFAOYSA-N 0 1 249.314 2.056 20 0 BEADMN CCOCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000127407737 388722814 /nfs/dbraw/zinc/72/28/14/388722814.db2.gz WQXJKWUVZWYJGW-VIFPVBQESA-N 0 1 240.372 2.319 20 0 BEADMN CC[C@H](c1ccccc1)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000249498648 388724729 /nfs/dbraw/zinc/72/47/29/388724729.db2.gz WRGFSPBAEHUWPT-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1nccs1 ZINC000249530551 388725947 /nfs/dbraw/zinc/72/59/47/388725947.db2.gz AVPAYRSWXYDBDE-MMWGEVLESA-N 0 1 238.356 2.361 20 0 BEADMN CO[C@H](C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194432722 388732591 /nfs/dbraw/zinc/73/25/91/388732591.db2.gz NCMDOWVOUOFOMD-LLVKDONJSA-N 0 1 245.326 2.201 20 0 BEADMN C[C@]1(O)CCN(Cc2cc(Cl)cs2)C1 ZINC000194427406 388732729 /nfs/dbraw/zinc/73/27/29/388732729.db2.gz SJHUYZZKFDESKX-JTQLQIEISA-N 0 1 231.748 2.358 20 0 BEADMN C[C@H](CF)NCc1cnn(C(C)(C)C)c1 ZINC000288555270 388796827 /nfs/dbraw/zinc/79/68/27/388796827.db2.gz YCACNWPAFCHHFC-SECBINFHSA-N 0 1 213.300 2.086 20 0 BEADMN CCCn1nc(C)c(CN[C@H](C)CF)c1C ZINC000288562844 388803739 /nfs/dbraw/zinc/80/37/39/388803739.db2.gz YUVZGPJVJAOSKL-SECBINFHSA-N 0 1 227.327 2.358 20 0 BEADMN Cc1cc(C(=O)CN2C[C@H](C)[C@@H](C)C2)c(C)n1C ZINC000091528042 388764656 /nfs/dbraw/zinc/76/46/56/388764656.db2.gz HWENVMRGDVBINE-QWRGUYRKSA-N 0 1 248.370 2.412 20 0 BEADMN Cc1nc([C@@H](C)NCCC[C@H](C)O)cs1 ZINC000228039216 388767645 /nfs/dbraw/zinc/76/76/45/388767645.db2.gz YYDBEECIQSKTTN-DTWKUNHWSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1cc(C)n2c(CN3CCCCC3)cnc2n1 ZINC000092107140 388786289 /nfs/dbraw/zinc/78/62/89/388786289.db2.gz VVOJRDQWLYAPRK-UHFFFAOYSA-N 0 1 244.342 2.332 20 0 BEADMN CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230141972 388816247 /nfs/dbraw/zinc/81/62/47/388816247.db2.gz DUOZFCOIIDCAJX-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1ccnc(NCC(C)(C)CCO)c1 ZINC000230148725 388817342 /nfs/dbraw/zinc/81/73/42/388817342.db2.gz MIHPBKAHMFFDID-UHFFFAOYSA-N 0 1 208.305 2.211 20 0 BEADMN CCCN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000069092334 388824705 /nfs/dbraw/zinc/82/47/05/388824705.db2.gz BVUJRWZVEUZNKQ-CYBMUJFWSA-N 0 1 234.343 2.158 20 0 BEADMN Cc1ccnc(NCCOCC(F)F)c1 ZINC000231677886 388839860 /nfs/dbraw/zinc/83/98/60/388839860.db2.gz WSKNIQKALJOLRK-UHFFFAOYSA-N 0 1 216.231 2.084 20 0 BEADMN CC(C)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232574989 388852381 /nfs/dbraw/zinc/85/23/81/388852381.db2.gz FCCBLQZPDBKUHR-GFCCVEGCSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)C(C)(C)C2)cc1 ZINC000555603404 388857419 /nfs/dbraw/zinc/85/74/19/388857419.db2.gz XILWDBLYKZVQIA-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1ncc(C)s1 ZINC000556145799 388867956 /nfs/dbraw/zinc/86/79/56/388867956.db2.gz ORJDVDQSBSJCBG-BDAKNGLRSA-N 0 1 228.386 2.435 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1ncc(C)s1 ZINC000556145815 388868383 /nfs/dbraw/zinc/86/83/83/388868383.db2.gz ORJDVDQSBSJCBG-RKDXNWHRSA-N 0 1 228.386 2.435 20 0 BEADMN CCc1nnc(SCC[C@@H]2CCCCO2)[nH]1 ZINC000541782493 388868754 /nfs/dbraw/zinc/86/87/54/388868754.db2.gz OGZVTLNKSIZOED-VIFPVBQESA-N 0 1 241.360 2.418 20 0 BEADMN CCc1n[nH]c(SCC[C@@H]2CCCCO2)n1 ZINC000541782493 388868755 /nfs/dbraw/zinc/86/87/55/388868755.db2.gz OGZVTLNKSIZOED-VIFPVBQESA-N 0 1 241.360 2.418 20 0 BEADMN CC[N@@H+](CCC1CC1)C[C@@](C)(O)C(F)(F)F ZINC000337204890 388849780 /nfs/dbraw/zinc/84/97/80/388849780.db2.gz JJQILRIZFCMQKJ-SNVBAGLBSA-N 0 1 239.281 2.422 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])CC(C)(C)C ZINC000564612066 388879834 /nfs/dbraw/zinc/87/98/34/388879834.db2.gz LRKQPPDQBNIFKH-UHFFFAOYSA-N 0 1 208.305 2.265 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])CC(C)(C)C ZINC000564612066 388879835 /nfs/dbraw/zinc/87/98/35/388879835.db2.gz LRKQPPDQBNIFKH-UHFFFAOYSA-N 0 1 208.305 2.265 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000564661111 388883883 /nfs/dbraw/zinc/88/38/83/388883883.db2.gz FCEBNCUELMQOBN-PWSUYJOCSA-N 0 1 213.321 2.219 20 0 BEADMN Cn1ncc2ccc(CNCc3ccco3)cc21 ZINC000564654476 388883901 /nfs/dbraw/zinc/88/39/01/388883901.db2.gz SMWVRHQMIVERIH-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CN(CCOc1ccccc1)CC1(F)CC1 ZINC000564762890 388888909 /nfs/dbraw/zinc/88/89/09/388888909.db2.gz KNBFTDZSTHROJN-UHFFFAOYSA-N 0 1 223.291 2.499 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H](C2CC2)C1 ZINC000564910869 388898104 /nfs/dbraw/zinc/89/81/04/388898104.db2.gz DFGCZRXVKMGGRR-HNNXBMFYSA-N 0 1 246.354 2.043 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@@]1(C)C(=O)[O-] ZINC000565111515 388916060 /nfs/dbraw/zinc/91/60/60/388916060.db2.gz KCYSPFSYTTWXHQ-ZWNOBZJWSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000565191919 388924032 /nfs/dbraw/zinc/92/40/32/388924032.db2.gz LNALSHXVVRKKPE-NQBHXWOUSA-N 0 1 249.358 2.378 20 0 BEADMN CC(C)[N@H+](Cc1ccc(Cl)cn1)C[C@H](C)O ZINC000305822633 388960263 /nfs/dbraw/zinc/96/02/63/388960263.db2.gz RDXBAFOEAFRJIY-JTQLQIEISA-N 0 1 242.750 2.326 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CC[C@@H](C)[C@@H]2C)cc1 ZINC000262634556 388941478 /nfs/dbraw/zinc/94/14/78/388941478.db2.gz HQPDWQKBSJTQRP-DYEKYZERSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1nnsc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000565541326 388949398 /nfs/dbraw/zinc/94/93/98/388949398.db2.gz NKFWCDBKUUFCFG-WCBMZHEXSA-N 0 1 225.361 2.467 20 0 BEADMN CC[C@@]1(C)CN(CCc2cccc(C)n2)CCO1 ZINC000565888909 388976671 /nfs/dbraw/zinc/97/66/71/388976671.db2.gz CVYKOHAOJSXLDD-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CCOC(=O)c1ccc(CN2[C@H](C)C[C@@H]2C)nc1 ZINC000565933143 388979573 /nfs/dbraw/zinc/97/95/73/388979573.db2.gz GFRQMCQELBVZQM-PHIMTYICSA-N 0 1 248.326 2.241 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)c1nccs1 ZINC000566015374 388981578 /nfs/dbraw/zinc/98/15/78/388981578.db2.gz UNTLETYCKYUIFI-DTWKUNHWSA-N 0 1 242.344 2.042 20 0 BEADMN CC[C@H](C)[C@H](O)CNc1cc(C)ccn1 ZINC000268295558 389002619 /nfs/dbraw/zinc/00/26/19/389002619.db2.gz FRTUVDMAZQZMJC-WDEREUQCSA-N 0 1 208.305 2.209 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000566104800 388987810 /nfs/dbraw/zinc/98/78/10/388987810.db2.gz DMVRUOGTPAGRIL-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN CO[C@@H](C)c1nc(CNCC2CC2)cs1 ZINC000267636148 389001066 /nfs/dbraw/zinc/00/10/66/389001066.db2.gz PIFQWVWZRKOUDN-QMMMGPOBSA-N 0 1 226.345 2.350 20 0 BEADMN CC[C@H]1CN(Cc2cc(F)ccc2F)C[C@H]1O ZINC000270894766 389015302 /nfs/dbraw/zinc/01/53/02/389015302.db2.gz LUPGSNOHJLCHPC-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000271279282 389020107 /nfs/dbraw/zinc/02/01/07/389020107.db2.gz LPCIXWDZWBZHQJ-GXFFZTMASA-N 0 1 241.281 2.168 20 0 BEADMN C[C@]1(NCc2cscn2)CCO[C@H]1C1CC1 ZINC000273066708 389037433 /nfs/dbraw/zinc/03/74/33/389037433.db2.gz NPWXWXHDNOJAGQ-RYUDHWBXSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nccc(N2CCC(O)CC2)c1Cl ZINC000309028711 132332483 /nfs/dbraw/zinc/33/24/83/132332483.db2.gz ZYBKGXXOFZNNBK-UHFFFAOYSA-N 0 1 226.707 2.005 20 0 BEADMN CC(C)[C@@H](F)C(=O)Nc1ccc2cncn2c1 ZINC001645631548 1172682797 /nfs/dbraw/zinc/68/27/97/1172682797.db2.gz AVMNSEJKRCWHIY-LLVKDONJSA-N 0 1 235.262 2.267 20 0 BEADMN CC(C)[C@H](F)C(=O)Nc1ccc2cncn2c1 ZINC001645631549 1172682857 /nfs/dbraw/zinc/68/28/57/1172682857.db2.gz AVMNSEJKRCWHIY-NSHDSACASA-N 0 1 235.262 2.267 20 0 BEADMN CCN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000124489674 169690377 /nfs/dbraw/zinc/69/03/77/169690377.db2.gz HGJPIRRDKWMZDS-UHFFFAOYSA-N 0 1 247.273 2.308 20 0 BEADMN C[C@@H]1CC(NCc2ncccn2)C[C@@H](C)C1 ZINC000082835098 322825703 /nfs/dbraw/zinc/82/57/03/322825703.db2.gz URZCUUZALJZNGP-QWRGUYRKSA-N 0 1 219.332 2.391 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nnc3n2CCCCC3)[C@@H]1C ZINC000494890248 533656459 /nfs/dbraw/zinc/65/64/59/533656459.db2.gz FIXMAXGAPBMSLB-IJLUTSLNSA-N 0 1 248.374 2.139 20 0 BEADMN Cc1nc(CN2CCCc3ccccc32)n[nH]1 ZINC000292199933 132218767 /nfs/dbraw/zinc/21/87/67/132218767.db2.gz OPBBIJKRWOUELK-UHFFFAOYSA-N 0 1 228.299 2.066 20 0 BEADMN CC[C@]1(C)CCCN(c2ccncc2C(N)=O)C1 ZINC000302182272 132261510 /nfs/dbraw/zinc/26/15/10/132261510.db2.gz ZCBCATABIZLDCJ-CQSZACIVSA-N 0 1 247.342 2.197 20 0 BEADMN CC(C)c1cc(N2CCN(C)[C@H](C)[C@@H]2C)ncn1 ZINC000356794627 132271544 /nfs/dbraw/zinc/27/15/44/132271544.db2.gz MXLZDCPSDZMGSX-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN CCOc1ccccc1N1CCN(CC)CC1 ZINC000072939032 132397453 /nfs/dbraw/zinc/39/74/53/132397453.db2.gz AEJCTEOQWFBAFA-UHFFFAOYSA-N 0 1 234.343 2.227 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccnc1 ZINC000160924578 133510763 /nfs/dbraw/zinc/51/07/63/133510763.db2.gz IOEJHQFTEMCYEB-QJPTWQEYSA-N 0 1 249.358 2.035 20 0 BEADMN CCC1CN(Cc2c(C)nc3ccccn32)C1 ZINC000334521324 133681009 /nfs/dbraw/zinc/68/10/09/133681009.db2.gz BERKEHKVIGJWJH-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN CSCC[C@H](CO)NCc1ccc(Cl)o1 ZINC000166768605 133960270 /nfs/dbraw/zinc/96/02/70/133960270.db2.gz FDFFAEOHSLFPRV-MRVPVSSYSA-N 0 1 249.763 2.137 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000167088409 133965833 /nfs/dbraw/zinc/96/58/33/133965833.db2.gz VJDVLQGWEDDXHQ-RKDXNWHRSA-N 0 1 214.334 2.137 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)[nH]1 ZINC000335906287 133988032 /nfs/dbraw/zinc/98/80/32/133988032.db2.gz NWIIMVCJVBSLSP-QMTHXVAHSA-N 0 1 247.342 2.370 20 0 BEADMN CCc1ccc(CN2C[C@@H](C)[C@@H]2C)nc1 ZINC000335930650 134010619 /nfs/dbraw/zinc/01/06/19/134010619.db2.gz JXICMHDRGPISHI-MNOVXSKESA-N 0 1 204.317 2.484 20 0 BEADMN O=C(C1=CCCCC1)N1CCN2CCCC[C@@H]2C1 ZINC000335930996 134011098 /nfs/dbraw/zinc/01/10/98/134011098.db2.gz SWOWLPYBICBBNN-CQSZACIVSA-N 0 1 248.370 2.184 20 0 BEADMN C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000335944156 134018573 /nfs/dbraw/zinc/01/85/73/134018573.db2.gz LKJSBKDBGXOEFL-SNVBAGLBSA-N 0 1 215.300 2.405 20 0 BEADMN c1csc(CN2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000335944678 134019160 /nfs/dbraw/zinc/01/91/60/134019160.db2.gz ANJXXDZZBRLFPT-MNOVXSKESA-N 0 1 238.356 2.002 20 0 BEADMN Cc1cccc(CN2CCCO[C@H](C)C2)n1 ZINC000335996545 134042268 /nfs/dbraw/zinc/04/22/68/134042268.db2.gz DJGONWJFSYZCOB-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCC1CCC1 ZINC000352029803 134044638 /nfs/dbraw/zinc/04/46/38/134044638.db2.gz SLDZIEWYLWNLNU-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN c1cc(CN2CCOCC3(CCC3)C2)ccn1 ZINC000336003385 134048185 /nfs/dbraw/zinc/04/81/85/134048185.db2.gz ZPUQAAUHMIEKBV-UHFFFAOYSA-N 0 1 232.327 2.084 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)nc1 ZINC000336014573 134052792 /nfs/dbraw/zinc/05/27/92/134052792.db2.gz SKOJOAVYMYEEJF-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CC[C@@](C)(O)C1 ZINC000336109818 134086037 /nfs/dbraw/zinc/08/60/37/134086037.db2.gz NYHJJVDFRNXWAW-CYBMUJFWSA-N 0 1 238.331 2.063 20 0 BEADMN Cc1nnc(CN2CCC3(CCCC3)CC2)[nH]1 ZINC000336110282 134086605 /nfs/dbraw/zinc/08/66/05/134086605.db2.gz DPCXSGAEBZGPMK-UHFFFAOYSA-N 0 1 234.347 2.269 20 0 BEADMN CC1(CC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000336122898 134091959 /nfs/dbraw/zinc/09/19/59/134091959.db2.gz MGYMBBJMEBVVOR-UHFFFAOYSA-N 0 1 247.342 2.306 20 0 BEADMN CC(C)(C)c1nc(CN2CCCCC2)n[nH]1 ZINC000336136894 134096533 /nfs/dbraw/zinc/09/65/33/134096533.db2.gz YUOPAOALOSBDFF-UHFFFAOYSA-N 0 1 222.336 2.088 20 0 BEADMN O=C1CC[C@@H](NCCF)c2cc(F)ccc2N1 ZINC000336145117 134101754 /nfs/dbraw/zinc/10/17/54/134101754.db2.gz PGTKXRTUOANMGO-SNVBAGLBSA-N 0 1 240.253 2.158 20 0 BEADMN CC(C)C(C)(C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000336158462 134106622 /nfs/dbraw/zinc/10/66/22/134106622.db2.gz KSRARWXQMUMKSH-VXGBXAGGSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1c[nH]nc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000336184621 134120966 /nfs/dbraw/zinc/12/09/66/134120966.db2.gz BMCJJWBNLUUUQO-GFCCVEGCSA-N 0 1 219.332 2.339 20 0 BEADMN Cn1nccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000336188173 134122739 /nfs/dbraw/zinc/12/27/39/134122739.db2.gz GWVFAVWADRGCJS-CYBMUJFWSA-N 0 1 231.343 2.185 20 0 BEADMN c1[nH]nc2c1CN(CC1=CCCCC1)CC2 ZINC000336195204 134125833 /nfs/dbraw/zinc/12/58/33/134125833.db2.gz SDKUFIWZOMANGD-UHFFFAOYSA-N 0 1 217.316 2.268 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC2(C1)CCCC2 ZINC000336200258 134130054 /nfs/dbraw/zinc/13/00/54/134130054.db2.gz DWINRGMJNNXTHV-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN C[C@@H]1C[C@H](CN2CCC=C(F)C2)CCO1 ZINC000336210658 134134108 /nfs/dbraw/zinc/13/41/08/134134108.db2.gz HDOFFPHQOMYDPJ-GHMZBOCLSA-N 0 1 213.296 2.361 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nnc2n1CCCC2 ZINC000336212556 134134554 /nfs/dbraw/zinc/13/45/54/134134554.db2.gz WTDKEFBACMXXBE-RYUDHWBXSA-N 0 1 248.374 2.235 20 0 BEADMN Cc1nc(CNCC2(CO)CCCC2)cs1 ZINC000168565227 134226716 /nfs/dbraw/zinc/22/67/16/134226716.db2.gz CFAPICOWLHSDGB-UHFFFAOYSA-N 0 1 240.372 2.094 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)N(CC(C)C)C1CC1 ZINC000170916347 134255354 /nfs/dbraw/zinc/25/53/54/134255354.db2.gz UGULKEYKIFOBDG-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000171834060 134261068 /nfs/dbraw/zinc/26/10/68/134261068.db2.gz VKQJUJHQJSSHBB-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](NCC1CC1)c1nc(C(C)(C)C)no1 ZINC000174661624 134282806 /nfs/dbraw/zinc/28/28/06/134282806.db2.gz HDSKPCBPZMYKKJ-QMMMGPOBSA-N 0 1 223.320 2.428 20 0 BEADMN Cc1nnc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000176043522 134290035 /nfs/dbraw/zinc/29/00/35/134290035.db2.gz GGVGWAATHCLCGR-SCZZXKLOSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)C[N@@H+](C)C(C)C ZINC000176661314 134293360 /nfs/dbraw/zinc/29/33/60/134293360.db2.gz RGDNUDYAWQDWDI-LBPRGKRZSA-N 0 1 228.380 2.221 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000178904753 134313211 /nfs/dbraw/zinc/31/32/11/134313211.db2.gz XMMGFCKCEXNYSC-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN COC1CC(N[C@H](C)c2ncc(C)s2)C1 ZINC000221235373 134322462 /nfs/dbraw/zinc/32/24/62/134322462.db2.gz GYEGAEJKNKQZHI-XNWIYYODSA-N 0 1 226.345 2.280 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179668479 134323071 /nfs/dbraw/zinc/32/30/71/134323071.db2.gz QHQQFHQAJXGQNE-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CN(Cc1nnc[nH]1)CC1CCCCCC1 ZINC000179790645 134323956 /nfs/dbraw/zinc/32/39/56/134323956.db2.gz DJGJTVVIPNJEDJ-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000181196558 134334250 /nfs/dbraw/zinc/33/42/50/134334250.db2.gz YDRBCWWYZMUQAL-WUHRBBMRSA-N 0 1 240.391 2.220 20 0 BEADMN CO[C@H](C)CNCc1ccc(Cl)o1 ZINC000223979202 134344265 /nfs/dbraw/zinc/34/42/65/134344265.db2.gz GOIAWTDLOMKJDX-SSDOTTSWSA-N 0 1 203.669 2.058 20 0 BEADMN CC(C)C[C@H](CO)NCc1ncc(Cl)s1 ZINC000225328249 134354200 /nfs/dbraw/zinc/35/42/00/134354200.db2.gz PPGPEIVMCWUUNV-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN Clc1cnc(CNC[C@@H]2CCCOC2)s1 ZINC000225326342 134354527 /nfs/dbraw/zinc/35/45/27/134354527.db2.gz YITKAQBADMSSRR-QMMMGPOBSA-N 0 1 246.763 2.313 20 0 BEADMN CC[C@@H](CCO)CNCc1ncc(Cl)s1 ZINC000225365309 134354633 /nfs/dbraw/zinc/35/46/33/134354633.db2.gz VOAIBMNWMRJMCI-QMMMGPOBSA-N 0 1 248.779 2.295 20 0 BEADMN CC[C@@](C)(CO)NCc1ncc(Cl)s1 ZINC000225337187 134355090 /nfs/dbraw/zinc/35/50/90/134355090.db2.gz JASUIQYNOYNTQL-VIFPVBQESA-N 0 1 234.752 2.047 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CCC(C)(C)O2)[C@H]1C ZINC000184662930 134367841 /nfs/dbraw/zinc/36/78/41/134367841.db2.gz NTDCZVZCQUAVQQ-SRVKXCTJSA-N 0 1 227.348 2.053 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000185544579 134381458 /nfs/dbraw/zinc/38/14/58/134381458.db2.gz IDQCDCDOSFKYSJ-YNEHKIRRSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000185544545 134381556 /nfs/dbraw/zinc/38/15/56/134381556.db2.gz IDQCDCDOSFKYSJ-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)cc1 ZINC000185932962 134397292 /nfs/dbraw/zinc/39/72/92/134397292.db2.gz XSTILXFGAPHKRQ-OAHLLOKOSA-N 0 1 246.354 2.225 20 0 BEADMN Cn1cnc(CNC2CCC3(CCCC3)CC2)n1 ZINC000236133945 134821410 /nfs/dbraw/zinc/82/14/10/134821410.db2.gz PRWYOPVEOCLNRI-UHFFFAOYSA-N 0 1 248.374 2.408 20 0 BEADMN CC[C@H](N[C@H](C)COC)c1nccs1 ZINC000070633901 135001800 /nfs/dbraw/zinc/00/18/00/135001800.db2.gz XTTQBIFWLRHIHV-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)n[nH]1 ZINC000248412123 135006873 /nfs/dbraw/zinc/00/68/73/135006873.db2.gz FCVKOSZJAWXKFZ-UFGOTCBOSA-N 0 1 247.342 2.369 20 0 BEADMN COC(=O)CCCN[C@H](C)c1nc(C)cs1 ZINC000070733752 135011926 /nfs/dbraw/zinc/01/19/26/135011926.db2.gz JZSHHDBUBVMMOA-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000076150266 135014345 /nfs/dbraw/zinc/01/43/45/135014345.db2.gz CKTCMPDAVLQYQX-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000248584749 135014372 /nfs/dbraw/zinc/01/43/72/135014372.db2.gz VCTZGHKCZARPMC-UPJWGTAASA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)[C@H](C)CO1 ZINC000248578819 135014817 /nfs/dbraw/zinc/01/48/17/135014817.db2.gz QUFVOTLODVJOEJ-IJLUTSLNSA-N 0 1 227.348 2.053 20 0 BEADMN Clc1ccc(CN[C@@H]2CCCOC2)o1 ZINC000071011963 135016703 /nfs/dbraw/zinc/01/67/03/135016703.db2.gz HNOPKEJMSLKPAH-MRVPVSSYSA-N 0 1 215.680 2.202 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000248627900 135017536 /nfs/dbraw/zinc/01/75/36/135017536.db2.gz ZFESRBREQKQSBR-MBTKJCJQSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)C)n[nH]1 ZINC000249283217 135027247 /nfs/dbraw/zinc/02/72/47/135027247.db2.gz HIHJUXAKWGQZMN-TVYUQYBPSA-N 0 1 249.358 2.057 20 0 BEADMN CCc1nnc(CN2C[C@H](C)CCC[C@H]2C)[nH]1 ZINC000249276386 135027868 /nfs/dbraw/zinc/02/78/68/135027868.db2.gz DDNRPLHMMIEKTQ-GHMZBOCLSA-N 0 1 236.363 2.378 20 0 BEADMN C[C@@H]1CN(C[C@H](O)CC2CCCC2)[C@@H](C)CO1 ZINC000248990212 135029304 /nfs/dbraw/zinc/02/93/04/135029304.db2.gz YAZZKUXLDKIILB-OUCADQQQSA-N 0 1 241.375 2.037 20 0 BEADMN CCc1nnc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)[nH]1 ZINC000249376312 135038116 /nfs/dbraw/zinc/03/81/16/135038116.db2.gz YNPWIRTWCNVAQD-QJPTWQEYSA-N 0 1 248.374 2.378 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000249711316 135043518 /nfs/dbraw/zinc/04/35/18/135043518.db2.gz YKRJBGAXSGVGQZ-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000077492583 135068958 /nfs/dbraw/zinc/06/89/58/135068958.db2.gz UJYCUECDXWODQX-KOLCDFICSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)C[C@H]1C ZINC000251838314 135078971 /nfs/dbraw/zinc/07/89/71/135078971.db2.gz NYMRBXISJDDXMX-GMTAPVOTSA-N 0 1 207.321 2.324 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1Cc1ccccc1N(C)C ZINC000078047173 135091146 /nfs/dbraw/zinc/09/11/46/135091146.db2.gz ZCBJVTZKBZCMDQ-OLZOCXBDSA-N 0 1 248.370 2.362 20 0 BEADMN Cc1noc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000086844182 135098608 /nfs/dbraw/zinc/09/86/08/135098608.db2.gz CFNWKWIZUGMMBT-SNVBAGLBSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nc(CN[C@H]2CS[C@H](C)C2)cs1 ZINC000086935504 135104613 /nfs/dbraw/zinc/10/46/13/135104613.db2.gz QQYNADNONKIZII-VXNVDRBHSA-N 0 1 228.386 2.435 20 0 BEADMN CCc1ccc(CC[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000258956372 135136184 /nfs/dbraw/zinc/13/61/84/135136184.db2.gz VJRYDGUWIYAZMV-GFCCVEGCSA-N 0 1 249.354 2.444 20 0 BEADMN CN(CCCCO)Cc1ccc(F)cc1F ZINC000258936986 135136268 /nfs/dbraw/zinc/13/62/68/135136268.db2.gz HOXGOXQBIJHGGL-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000260279920 135148492 /nfs/dbraw/zinc/14/84/92/135148492.db2.gz XWFIYTDWXQELEC-LLVKDONJSA-N 0 1 247.338 2.470 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000261527328 135150792 /nfs/dbraw/zinc/15/07/92/135150792.db2.gz VNMKEDLWHLIOKM-WDEREUQCSA-N 0 1 215.337 2.321 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000261527780 135151774 /nfs/dbraw/zinc/15/17/74/135151774.db2.gz HCFRZVDZJITTMB-NXEZZACHSA-N 0 1 201.310 2.074 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC000261529333 135155580 /nfs/dbraw/zinc/15/55/80/135155580.db2.gz RGVCUVAMYMDLMA-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN CCCN(CC(=O)[O-])c1cc[nH+]cc1Cl ZINC000261533595 135165148 /nfs/dbraw/zinc/16/51/48/135165148.db2.gz LAWONDCXZYEPTF-UHFFFAOYSA-N 0 1 228.679 2.036 20 0 BEADMN Fc1ccc(CN[C@@H]2CCOC2)c(Cl)c1 ZINC000087787096 135171523 /nfs/dbraw/zinc/17/15/23/135171523.db2.gz HGPBXBMFCXDBAI-SNVBAGLBSA-N 0 1 229.682 2.358 20 0 BEADMN Fc1ccc(CN[C@H]2CCOC2)c(Cl)c1 ZINC000087787098 135171718 /nfs/dbraw/zinc/17/17/18/135171718.db2.gz HGPBXBMFCXDBAI-JTQLQIEISA-N 0 1 229.682 2.358 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2cnccc2N)CC1 ZINC000261553685 135192920 /nfs/dbraw/zinc/19/29/20/135192920.db2.gz ALSKJOULKMDWMU-MNOVXSKESA-N 0 1 247.342 2.362 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000163845782 135208714 /nfs/dbraw/zinc/20/87/14/135208714.db2.gz XKSYNGDPPJZOTD-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCCCCC1 ZINC000084330675 135211432 /nfs/dbraw/zinc/21/14/32/135211432.db2.gz WKZVHASDQKLSFT-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCC1(c2nc(C3(N)CCCC3)no2)CC1 ZINC000261569391 135211339 /nfs/dbraw/zinc/21/13/39/135211339.db2.gz GGSOZGUSJJVGMA-UHFFFAOYSA-N 0 1 221.304 2.239 20 0 BEADMN CC[C@@H](C)[C@@](C)(O)CNCc1cscn1 ZINC000164003485 135212283 /nfs/dbraw/zinc/21/22/83/135212283.db2.gz KSJFNUCLWMHNIG-KOLCDFICSA-N 0 1 228.361 2.030 20 0 BEADMN CS[C@H](CO)[C@H](C)NCc1ccc(Cl)o1 ZINC000164277910 135218005 /nfs/dbraw/zinc/21/80/05/135218005.db2.gz AVNBUNQUFSXHEW-IONNQARKSA-N 0 1 249.763 2.135 20 0 BEADMN CC(C)(F)c1nc(C2(N)CCCCC2)no1 ZINC000261584027 135225061 /nfs/dbraw/zinc/22/50/61/135225061.db2.gz PJFSNVAWPDWVCL-UHFFFAOYSA-N 0 1 227.283 2.392 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000261586299 135227789 /nfs/dbraw/zinc/22/77/89/135227789.db2.gz QZNQMGQMSXBSJW-LLVKDONJSA-N 0 1 239.340 2.496 20 0 BEADMN CC(C)=C(C)c1nc(C2(N)CCC2)no1 ZINC000261589677 135230437 /nfs/dbraw/zinc/23/04/37/135230437.db2.gz UCICILVYEWJJCI-UHFFFAOYSA-N 0 1 207.277 2.221 20 0 BEADMN CC(C)(C)c1noc(-c2cnccc2N)n1 ZINC000261757105 135250777 /nfs/dbraw/zinc/25/07/77/135250777.db2.gz MEUGCWSVMFAIJD-UHFFFAOYSA-N 0 1 218.260 2.011 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCN3)n2)cc1F ZINC000261840596 135256934 /nfs/dbraw/zinc/25/69/34/135256934.db2.gz RYCZQYHOMPYZNF-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000261838681 135256953 /nfs/dbraw/zinc/25/69/53/135256953.db2.gz UEWRVNPCLBGZSZ-QJPTWQEYSA-N 0 1 227.348 2.321 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000342347212 135260576 /nfs/dbraw/zinc/26/05/76/135260576.db2.gz NJNZMEWQEXMEEY-SECBINFHSA-N 0 1 235.331 2.405 20 0 BEADMN C[C@@H]1CC[C@H](Cc2nc(C3(N)CCC3)no2)C1 ZINC000261906199 135261472 /nfs/dbraw/zinc/26/14/72/135261472.db2.gz ZBSAOGYRXPEXHP-ZJUUUORDSA-N 0 1 235.331 2.386 20 0 BEADMN CC1(c2nc(C3(N)CCCC3)no2)CCC1 ZINC000261910744 135262890 /nfs/dbraw/zinc/26/28/90/135262890.db2.gz ZSMWGWZWKBWSSI-UHFFFAOYSA-N 0 1 221.304 2.239 20 0 BEADMN C[C@H](c1nc(C2(N)CCC2)no1)C(F)(F)F ZINC000262005032 135271591 /nfs/dbraw/zinc/27/15/91/135271591.db2.gz ULWBUNVRZAFNHC-RXMQYKEDSA-N 0 1 235.209 2.073 20 0 BEADMN c1nc(CNC[C@H]2COc3ccccc32)cs1 ZINC000342455904 135276250 /nfs/dbraw/zinc/27/62/50/135276250.db2.gz XNECUCRHKRSAEQ-JTQLQIEISA-N 0 1 246.335 2.409 20 0 BEADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000262063843 135276449 /nfs/dbraw/zinc/27/64/49/135276449.db2.gz BZYIKLAFJMKMQU-GXTWGEPZSA-N 0 1 237.343 2.363 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000262165928 135282811 /nfs/dbraw/zinc/28/28/11/135282811.db2.gz HHXFNBRCACKMIZ-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN COC1CN(C[C@@H](C)c2ccccc2)C1 ZINC000342507811 135285009 /nfs/dbraw/zinc/28/50/09/135285009.db2.gz ZQLFDPQNDWVDEB-LLVKDONJSA-N 0 1 205.301 2.121 20 0 BEADMN COc1cccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262230177 135285876 /nfs/dbraw/zinc/28/58/76/135285876.db2.gz MBJXUUXRDIJFHJ-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCc1ccccc1)C1CC1 ZINC000262262729 135287931 /nfs/dbraw/zinc/28/79/31/135287931.db2.gz RKGJKVHZVNPPHN-NSHDSACASA-N 0 1 233.311 2.167 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OC(C)C ZINC000342689714 135305200 /nfs/dbraw/zinc/30/52/00/135305200.db2.gz VAUSVUFWDNNXJV-UHFFFAOYSA-N 0 1 210.277 2.407 20 0 BEADMN CCc1nc2n(n1)CCC[C@@H]2NC1CC(CC)C1 ZINC000342704876 135311699 /nfs/dbraw/zinc/31/16/99/135311699.db2.gz YNIICZWANXAWOG-MCIGGMRASA-N 0 1 248.374 2.454 20 0 BEADMN COC[C@H]1CCCCN(Cc2nccc(C)n2)C1 ZINC000342735933 135316205 /nfs/dbraw/zinc/31/62/05/135316205.db2.gz DKFYAUSNTYSQSD-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1cnc(CN(C(C)C)C2CCC2)n1C ZINC000342790740 135318992 /nfs/dbraw/zinc/31/89/92/135318992.db2.gz MNTCFLIEKVFCLO-UHFFFAOYSA-N 0 1 221.348 2.491 20 0 BEADMN CCC[C@@H](C)N(C)Cc1ncc(C)n1C ZINC000342799086 135320394 /nfs/dbraw/zinc/32/03/94/135320394.db2.gz NBCDQIKTKDMWDW-SNVBAGLBSA-N 0 1 209.337 2.349 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C2(C)CC2)n1C ZINC000342798394 135321454 /nfs/dbraw/zinc/32/14/54/135321454.db2.gz IYTAVMZWSVNEKE-LLVKDONJSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccn1C ZINC000334226660 135330198 /nfs/dbraw/zinc/33/01/98/135330198.db2.gz FSXOQHLRCBCWSK-NEPJUHHUSA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1Cc1cccn1C ZINC000334226660 135330199 /nfs/dbraw/zinc/33/01/99/135330199.db2.gz FSXOQHLRCBCWSK-NEPJUHHUSA-N 0 1 222.332 2.024 20 0 BEADMN CCC[C@H](C)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263081645 135331169 /nfs/dbraw/zinc/33/11/69/135331169.db2.gz RPEDCTVUXMXIAF-SDDRHHMPSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000334273842 135331972 /nfs/dbraw/zinc/33/19/72/135331972.db2.gz ZUBNLMRZVFBBLT-ZYHUDNBSSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccccc2)C1 ZINC000263150850 135335443 /nfs/dbraw/zinc/33/54/43/135335443.db2.gz FHWGBVPGBQSBPW-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1ncc2c(n1)CCN([C@H]1C=CCCC1)C2 ZINC000334284889 135338998 /nfs/dbraw/zinc/33/89/98/135338998.db2.gz KCAAANZSFQARCV-ZDUSSCGKSA-N 0 1 229.327 2.252 20 0 BEADMN O=C(C[C@H]1C=CCC1)N1CCN(C2CCC2)CC1 ZINC000334293725 135341314 /nfs/dbraw/zinc/34/13/14/135341314.db2.gz RAZOUXFPXCPTEH-ZDUSSCGKSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)C2=CCCC2)n[nH]1 ZINC000342994629 135342588 /nfs/dbraw/zinc/34/25/88/135342588.db2.gz ABIDZQIPQJLSEC-VIFPVBQESA-N 0 1 248.330 2.216 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000263304674 135345035 /nfs/dbraw/zinc/34/50/35/135345035.db2.gz DWKIYXRRGMCBEF-TUAOUCFPSA-N 0 1 227.348 2.465 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000263353039 135349062 /nfs/dbraw/zinc/34/90/62/135349062.db2.gz QKAACUDLNCLOBS-RYUDHWBXSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263356552 135349299 /nfs/dbraw/zinc/34/92/99/135349299.db2.gz RWTRRNAADHGGAH-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000334307306 135350127 /nfs/dbraw/zinc/35/01/27/135350127.db2.gz HQJPANRVURFXRF-QWRGUYRKSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000263383025 135350329 /nfs/dbraw/zinc/35/03/29/135350329.db2.gz CGVKJEPNAUMWNF-RTXFEEFZSA-N 0 1 233.311 2.195 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc(Cl)c1 ZINC000263395509 135351133 /nfs/dbraw/zinc/35/11/33/135351133.db2.gz GMCOTCNBWYJUHR-SECBINFHSA-N 0 1 241.718 2.287 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000263412589 135352622 /nfs/dbraw/zinc/35/26/22/135352622.db2.gz LZQVKQKEZVNSSM-KNVIWWDSSA-N 0 1 249.285 2.388 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000263436589 135354169 /nfs/dbraw/zinc/35/41/69/135354169.db2.gz UUPRUWSWOZXALC-WCQGTBRESA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000263436589 135354171 /nfs/dbraw/zinc/35/41/71/135354171.db2.gz UUPRUWSWOZXALC-WCQGTBRESA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263437075 135354541 /nfs/dbraw/zinc/35/45/41/135354541.db2.gz UYENBMRBHWYQAQ-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263448006 135355100 /nfs/dbraw/zinc/35/51/00/135355100.db2.gz YMZMEBOFUXFUPP-VXGBXAGGSA-N 0 1 235.327 2.270 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000263450650 135355123 /nfs/dbraw/zinc/35/51/23/135355123.db2.gz ZMBCSOSEUXWKKI-BFHYXJOUSA-N 0 1 245.322 2.339 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263446747 135355228 /nfs/dbraw/zinc/35/52/28/135355228.db2.gz YAYGPEXNECDKJT-GFCCVEGCSA-N 0 1 219.284 2.369 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263450654 135355325 /nfs/dbraw/zinc/35/53/25/135355325.db2.gz ZMBCSOSEUXWKKI-MELADBBJSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1cccc(CC[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263492304 135357176 /nfs/dbraw/zinc/35/71/76/135357176.db2.gz IUWVNVAQXPFGNI-OAHLLOKOSA-N 0 1 247.338 2.334 20 0 BEADMN CCC[C@@H](Nc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000263563116 135360505 /nfs/dbraw/zinc/36/05/05/135360505.db2.gz TVXOXODHVCPTTD-SNVBAGLBSA-N 0 1 233.271 2.228 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)o1 ZINC000334351498 135368694 /nfs/dbraw/zinc/36/86/94/135368694.db2.gz WFTULFARILSGBW-MNOVXSKESA-N 0 1 235.331 2.389 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000334356985 135371761 /nfs/dbraw/zinc/37/17/61/135371761.db2.gz ORPASBLSXZSXMK-SCZZXKLOSA-N 0 1 229.283 2.091 20 0 BEADMN CO[C@@H](C)CN1CCc2cccc(F)c2C1 ZINC000334371122 135375365 /nfs/dbraw/zinc/37/53/65/135375365.db2.gz WSHQZPPCULIDAL-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN CO[C@H](C)CNc1ccnc(C)c1Cl ZINC000306584906 135375451 /nfs/dbraw/zinc/37/54/51/135375451.db2.gz GVZZRLILXSALSY-SSDOTTSWSA-N 0 1 214.696 2.490 20 0 BEADMN Cc1cncc(CN2CCOCC3(CC3)C2)c1 ZINC000334386607 135381805 /nfs/dbraw/zinc/38/18/05/135381805.db2.gz NXSRIDAWXHXBFT-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000334401002 135390231 /nfs/dbraw/zinc/39/02/31/135390231.db2.gz YSQLABPLEGVTJL-TXEJJXNPSA-N 0 1 219.332 2.340 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)c1ccc(C)cc1 ZINC000334400178 135391699 /nfs/dbraw/zinc/39/16/99/135391699.db2.gz MWJJYSHSJUSNIZ-AWEZNQCLSA-N 0 1 246.354 2.209 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)C(C)(C)C ZINC000334417406 135398543 /nfs/dbraw/zinc/39/85/43/135398543.db2.gz OMIIPHLNSGDDMW-ZJUUUORDSA-N 0 1 249.358 2.065 20 0 BEADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccncc1F ZINC000334937143 135845646 /nfs/dbraw/zinc/84/56/46/135845646.db2.gz VOEZJNVRXWRZDE-ZJUUUORDSA-N 0 1 238.306 2.439 20 0 BEADMN NC1(c2noc([C@@H]3CCC[C@@H](F)C3)n2)CCC1 ZINC000335059459 135875894 /nfs/dbraw/zinc/87/58/94/135875894.db2.gz MTKQWYAJFLBEHR-RKDXNWHRSA-N 0 1 239.294 2.403 20 0 BEADMN CC(C)n1cc(CN(C)[C@@H](C)C2CC2)nn1 ZINC000347653223 136001704 /nfs/dbraw/zinc/00/17/04/136001704.db2.gz QYRQODPKNWLPEX-JTQLQIEISA-N 0 1 222.336 2.089 20 0 BEADMN CCCN(CC)Cc1cn(C(C)C)nn1 ZINC000347656510 136001888 /nfs/dbraw/zinc/00/18/88/136001888.db2.gz SJCLAOODIOOLQO-UHFFFAOYSA-N 0 1 210.325 2.091 20 0 BEADMN CSc1nc(=O)n(CCCC(C)(C)C)[nH]1 ZINC000347778566 136009368 /nfs/dbraw/zinc/00/93/68/136009368.db2.gz OBXRJXLCJQXHCQ-UHFFFAOYSA-N 0 1 229.349 2.120 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cn(C(C)C)nn1 ZINC000347865260 136016657 /nfs/dbraw/zinc/01/66/57/136016657.db2.gz ZLWUWPJHHMYMHD-YPMHNXCESA-N 0 1 236.363 2.479 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)CC2)n(C)n1 ZINC000335300578 136023696 /nfs/dbraw/zinc/02/36/96/136023696.db2.gz VUCASHFQLAOUJB-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN O[C@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC000335318594 136025818 /nfs/dbraw/zinc/02/58/18/136025818.db2.gz QCMSZUKAMKVFCO-NSHDSACASA-N 0 1 243.709 2.088 20 0 BEADMN CCCN(Cc1nc(COC)no1)CC(C)C ZINC000348128873 136038201 /nfs/dbraw/zinc/03/82/01/136038201.db2.gz WFMCLERAWIOAFD-UHFFFAOYSA-N 0 1 241.335 2.084 20 0 BEADMN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1nccn1C ZINC000348156518 136040517 /nfs/dbraw/zinc/04/05/17/136040517.db2.gz DDWIODWGZAECQT-VGMNWLOBSA-N 0 1 229.274 2.114 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000348155385 136040919 /nfs/dbraw/zinc/04/09/19/136040919.db2.gz YGPILXGVZSEGEI-OYNCUSHFSA-N 0 1 212.243 2.386 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccn(C)n1 ZINC000348173812 136042479 /nfs/dbraw/zinc/04/24/79/136042479.db2.gz WOLSGGXDLNCWOL-KHQFGBGNSA-N 0 1 229.274 2.114 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1C[C@@H]1C(F)F ZINC000348210285 136044869 /nfs/dbraw/zinc/04/48/69/136044869.db2.gz MKXBMHOHNZPDIP-IONNQARKSA-N 0 1 216.231 2.035 20 0 BEADMN OC[C@@H]1C=C[C@@H](NCc2ccsc2Cl)C1 ZINC000348214751 136046147 /nfs/dbraw/zinc/04/61/47/136046147.db2.gz AKKOZOABJOENSL-PSASIEDQSA-N 0 1 243.759 2.428 20 0 BEADMN Cc1ccc(CN[C@H]2C[C@H]2C(F)F)o1 ZINC000348190274 136048676 /nfs/dbraw/zinc/04/86/76/136048676.db2.gz UUVSTNQNGDUICK-BDAKNGLRSA-N 0 1 201.216 2.331 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@@H]2C(F)F)nc1 ZINC000348192758 136049639 /nfs/dbraw/zinc/04/96/39/136049639.db2.gz YMKQTALOLQPYLH-VHSXEESVSA-N 0 1 212.243 2.133 20 0 BEADMN COc1c(O)cccc1CN1[C@H](C)C[C@H]1C ZINC000335328075 136052827 /nfs/dbraw/zinc/05/28/27/136052827.db2.gz DURKYTHCBKBUAJ-NXEZZACHSA-N 0 1 221.300 2.384 20 0 BEADMN CC1=CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000335335092 136055349 /nfs/dbraw/zinc/05/53/49/136055349.db2.gz YTSCEMDBYSFLHB-UHFFFAOYSA-N 0 1 231.299 2.079 20 0 BEADMN CC1=CCN(CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000348340424 136071339 /nfs/dbraw/zinc/07/13/39/136071339.db2.gz AAHDLEZVMZFDKX-CQSZACIVSA-N 0 1 248.370 2.111 20 0 BEADMN CCn1ccnc1CN1CC[C@H](C2CC2)C1 ZINC000367030095 136073411 /nfs/dbraw/zinc/07/34/11/136073411.db2.gz OWIZYMVNZAOHHY-LBPRGKRZSA-N 0 1 219.332 2.135 20 0 BEADMN Clc1ccc(CSc2c[nH]nn2)nc1 ZINC000335379612 136086919 /nfs/dbraw/zinc/08/69/19/136086919.db2.gz UGDKMMDDNFYZAZ-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CCc1nnc(CN2CC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000335387967 136089536 /nfs/dbraw/zinc/08/95/36/136089536.db2.gz HQXJHOLIUYPEDG-QWRGUYRKSA-N 0 1 234.347 2.132 20 0 BEADMN Cc1nc2ccccn2c1CN1CC(C)C1 ZINC000335400458 136094200 /nfs/dbraw/zinc/09/42/00/136094200.db2.gz IWQBQMMMJRHWNC-UHFFFAOYSA-N 0 1 215.300 2.094 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1c(C)n[nH]c1C(C)C ZINC000335557726 136099963 /nfs/dbraw/zinc/09/99/63/136099963.db2.gz ILAKCEKTQIGTOK-SNVBAGLBSA-N 0 1 235.331 2.466 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)n(C)n1 ZINC000335594934 136104138 /nfs/dbraw/zinc/10/41/38/136104138.db2.gz IPSOULRNQYNNRS-ZDUSSCGKSA-N 0 1 233.359 2.349 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)[C@H]2CC2(C)C)cc1 ZINC000335562672 136106474 /nfs/dbraw/zinc/10/64/74/136106474.db2.gz KDDZASUTHULJKG-QWHCGFSZSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)[C@@H]1CC1(C)C ZINC000335565495 136107425 /nfs/dbraw/zinc/10/74/25/136107425.db2.gz YZKPEQYVRGJQEP-CHWSQXEVSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cnns1 ZINC000335570576 136109183 /nfs/dbraw/zinc/10/91/83/136109183.db2.gz ITIKHSXTZIYAAQ-IUCAKERBSA-N 0 1 211.334 2.301 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cnns1 ZINC000335569888 136109278 /nfs/dbraw/zinc/10/92/78/136109278.db2.gz LPMDFWOHIOURPJ-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cnns2)[C@H]1C ZINC000335571666 136110036 /nfs/dbraw/zinc/11/00/36/136110036.db2.gz YCZSAJXHGFPVJB-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CCCN(Cc2cnns2)[C@H]1C ZINC000335571666 136110037 /nfs/dbraw/zinc/11/00/37/136110037.db2.gz YCZSAJXHGFPVJB-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccccc1 ZINC000335573705 136110204 /nfs/dbraw/zinc/11/02/04/136110204.db2.gz CLCLIBZNMJMRFP-CQSZACIVSA-N 0 1 246.354 2.243 20 0 BEADMN CC(C)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000335581102 136112690 /nfs/dbraw/zinc/11/26/90/136112690.db2.gz KCWXTKXHAYWRKM-UHFFFAOYSA-N 0 1 242.326 2.034 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(n2)CCC3)CCCO1 ZINC000335581272 136112695 /nfs/dbraw/zinc/11/26/95/136112695.db2.gz TUOOAADFTMEPMS-GFCCVEGCSA-N 0 1 246.354 2.181 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001646379165 1172736634 /nfs/dbraw/zinc/73/66/34/1172736634.db2.gz LXNDUNWIQGJGEX-NEPJUHHUSA-N 0 1 240.391 2.125 20 0 BEADMN CC(C)C[C@H](C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001646379167 1172736976 /nfs/dbraw/zinc/73/69/76/1172736976.db2.gz LXNDUNWIQGJGEX-RYUDHWBXSA-N 0 1 240.391 2.125 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CC=CC[C@H]2C)n[nH]1 ZINC001647848543 1172768994 /nfs/dbraw/zinc/76/89/94/1172768994.db2.gz MAWHPIVOKNUUQK-ZWNOBZJWSA-N 0 1 247.342 2.122 20 0 BEADMN C[C@@H](CN1CCn2nccc2C1)C(C)(C)C ZINC001647856353 1172773049 /nfs/dbraw/zinc/77/30/49/1172773049.db2.gz GITVMIKGENQODW-NSHDSACASA-N 0 1 221.348 2.381 20 0 BEADMN c1cc(CNCCCOc2ccccc2)no1 ZINC000148869082 397772994 /nfs/dbraw/zinc/77/29/94/397772994.db2.gz HQMRLWVRGUHJDU-UHFFFAOYSA-N 0 1 232.283 2.233 20 0 BEADMN CC[C@H]1CN(c2ccnc(C)c2Cl)C[C@H]1O ZINC000336433915 397794677 /nfs/dbraw/zinc/79/46/77/397794677.db2.gz ZMNPWLBAQAOYHA-GXSJLCMTSA-N 0 1 240.734 2.251 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC000636065495 397742120 /nfs/dbraw/zinc/74/21/20/397742120.db2.gz XSEFQTGQZSPGOE-LLVKDONJSA-N 0 1 233.315 2.033 20 0 BEADMN COc1ncccc1CN1CCCSCC1 ZINC000335799696 397887017 /nfs/dbraw/zinc/88/70/17/397887017.db2.gz JEWFWRCEATYSAH-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN COc1cccc2c1CN([C@H]1CCCOC1)CC2 ZINC000650109523 397932391 /nfs/dbraw/zinc/93/23/91/397932391.db2.gz DUSULKRRDPHVCE-ZDUSSCGKSA-N 0 1 247.338 2.232 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)CC2)c1C ZINC000265337366 397932913 /nfs/dbraw/zinc/93/29/13/397932913.db2.gz UNPWJFQGLCIRCO-JLIMDTESSA-N 0 1 235.331 2.335 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3n(n2)CCC3)[C@@H]1C ZINC000649540573 397933635 /nfs/dbraw/zinc/93/36/35/397933635.db2.gz ZZLMQZZLCZGWEA-VXGBXAGGSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CC(C)(C)C ZINC000650145071 397943205 /nfs/dbraw/zinc/94/32/05/397943205.db2.gz DYEJGAKIPQNLQD-UTUOFQBUSA-N 0 1 240.391 2.362 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650145415 397943480 /nfs/dbraw/zinc/94/34/80/397943480.db2.gz KRYTYKBVKKSVCA-UTUOFQBUSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)C1CC1 ZINC000267268801 397945415 /nfs/dbraw/zinc/94/54/15/397945415.db2.gz RXCLNCQSVLMMRV-PELKAZGASA-N 0 1 241.281 2.386 20 0 BEADMN CCC(CC)(CNCc1cc(C)n(C)n1)OC ZINC000414450910 397946731 /nfs/dbraw/zinc/94/67/31/397946731.db2.gz HZKNADFIMFRMPJ-UHFFFAOYSA-N 0 1 239.363 2.023 20 0 BEADMN CCCN(Cc1ccncc1F)CC(C)(C)O ZINC000449022221 397950469 /nfs/dbraw/zinc/95/04/69/397950469.db2.gz HJXHLRKTEXZKLT-UHFFFAOYSA-N 0 1 240.322 2.204 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@H]2C2CCC2)co1 ZINC000187614219 397951309 /nfs/dbraw/zinc/95/13/09/397951309.db2.gz VVPSPGUWEYPVST-ZDUSSCGKSA-N 0 1 248.326 2.143 20 0 BEADMN Cc1cc(CNCc2cnc(C)[nH]c2=O)cs1 ZINC000449233103 397953110 /nfs/dbraw/zinc/95/31/10/397953110.db2.gz KFNVABOOFZBPQV-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN CC[C@@](C)(NC[C@H]1CCCN1C)C(F)(F)F ZINC000649562019 397953142 /nfs/dbraw/zinc/95/31/42/397953142.db2.gz RPPGEUYRLJJKQG-NXEZZACHSA-N 0 1 238.297 2.401 20 0 BEADMN Cc1ccc(C)c(CN(C)Cc2c[nH]nn2)c1 ZINC000450869944 397967815 /nfs/dbraw/zinc/96/78/15/397967815.db2.gz YLDBJRSCCXFCFE-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CO[C@H]([C@H](C)NCc1nccs1)C1CC1 ZINC000388308923 397956914 /nfs/dbraw/zinc/95/69/14/397956914.db2.gz QWCVSVYJMYTYIF-GZMMTYOYSA-N 0 1 226.345 2.046 20 0 BEADMN COc1cc(CCNCc2cocn2)ccc1C ZINC000192317818 397893535 /nfs/dbraw/zinc/89/35/35/397893535.db2.gz TZPVSIRYYXHSBX-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN CC[C@H](C)CN(C)Cc1cc2n(n1)CCC2 ZINC000649527311 397917908 /nfs/dbraw/zinc/91/79/08/397917908.db2.gz GGAJMPJIPPKHMD-NSHDSACASA-N 0 1 221.348 2.307 20 0 BEADMN CO[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000364914507 397918832 /nfs/dbraw/zinc/91/88/32/397918832.db2.gz JJDKLARUFGJFNJ-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364914507 397918836 /nfs/dbraw/zinc/91/88/36/397918836.db2.gz JJDKLARUFGJFNJ-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629376633 397926396 /nfs/dbraw/zinc/92/63/96/397926396.db2.gz JGPBHGIPPMAVJH-NJMOYASZSA-N 0 1 237.343 2.218 20 0 BEADMN CO[C@@H](C)CCc1nc([C@H](N)CC(C)C)no1 ZINC000414620675 397993791 /nfs/dbraw/zinc/99/37/91/397993791.db2.gz QIGKKZUFRFGNGF-VHSXEESVSA-N 0 1 241.335 2.083 20 0 BEADMN CC(C)O[C@@H]1CCCN(Cc2ccno2)C1 ZINC000649697212 398045749 /nfs/dbraw/zinc/04/57/49/398045749.db2.gz BMDNPMZWSHWGAB-LLVKDONJSA-N 0 1 224.304 2.064 20 0 BEADMN CCc1ccccc1CN1CCOC[C@@H]1C ZINC000275492220 398021279 /nfs/dbraw/zinc/02/12/79/398021279.db2.gz PLEIEIPREPBDRF-LBPRGKRZSA-N 0 1 219.328 2.470 20 0 BEADMN Cc1cc(C[N@H+]2CCC23CCCC3)ncn1 ZINC000649658307 398026916 /nfs/dbraw/zinc/02/69/16/398026916.db2.gz GRACIMBDWDVUCM-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN C[C@H](O)CCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451022522 397969919 /nfs/dbraw/zinc/96/99/19/397969919.db2.gz BLGGZKBOECKYFF-ZDUSSCGKSA-N 0 1 246.354 2.332 20 0 BEADMN CC[C@H](F)CN[C@@H](C)c1cnn(CC)c1 ZINC000451889882 397972241 /nfs/dbraw/zinc/97/22/41/397972241.db2.gz NTHJRSZDNCKDBT-ONGXEEELSA-N 0 1 213.300 2.302 20 0 BEADMN COc1ncccc1CN1CC[C@@H](SC)C1 ZINC000451321896 397972471 /nfs/dbraw/zinc/97/24/71/397972471.db2.gz DNCRIGLQNCPTHY-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN CC(C)[N@@H+](CCCOC(C)(C)C)C1COC1 ZINC000649694039 398042089 /nfs/dbraw/zinc/04/20/89/398042089.db2.gz ANQQWPQKXKUZFA-UHFFFAOYSA-N 0 1 229.364 2.301 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc(F)cc(F)c1 ZINC000361331202 397976741 /nfs/dbraw/zinc/97/67/41/397976741.db2.gz LZFGAEAGDWIVBR-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN Cc1ccc(F)c(CN(C)Cc2cnc[nH]2)c1 ZINC000361331477 397976838 /nfs/dbraw/zinc/97/68/38/397976838.db2.gz OFHIZELVLPNTJZ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1nsc(NCCc2sccc2C)n1 ZINC000336726747 397983133 /nfs/dbraw/zinc/98/31/33/397983133.db2.gz GZTZYODARHPKSE-UHFFFAOYSA-N 0 1 239.369 2.293 20 0 BEADMN COC(=O)c1ccc(CN2CCC3(CCC3)C2)[nH]1 ZINC000272755248 397985324 /nfs/dbraw/zinc/98/53/24/397985324.db2.gz OWNNLVYHTVRKMX-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN COC(=O)c1cc(CN2CCCCC2)c(C)o1 ZINC000196381651 398059592 /nfs/dbraw/zinc/05/95/92/398059592.db2.gz KYPANILPOMEIOI-UHFFFAOYSA-N 0 1 237.299 2.361 20 0 BEADMN O=C(c1c(O)cccc1F)N1C2CCC1CC2 ZINC000398828467 398063218 /nfs/dbraw/zinc/06/32/18/398063218.db2.gz CRDXTMWYARWSMV-UHFFFAOYSA-N 0 1 235.258 2.298 20 0 BEADMN CCN(Cc1ccc(C)c(C)c1)[C@H]1CCNC1=O ZINC000282255651 398066818 /nfs/dbraw/zinc/06/68/18/398066818.db2.gz GUWKFZDNHNCBDB-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCCCO2)[C@H](C)CO1 ZINC000649730058 398067826 /nfs/dbraw/zinc/06/78/26/398067826.db2.gz KHQWUHXRHWXXBM-UPJWGTAASA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1cnccn1 ZINC000187653471 398093835 /nfs/dbraw/zinc/09/38/35/398093835.db2.gz KALYUNOXHOFKNU-GHMZBOCLSA-N 0 1 235.331 2.085 20 0 BEADMN C[C@@H]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[N@H+]1C ZINC000491904269 398076795 /nfs/dbraw/zinc/07/67/95/398076795.db2.gz KWGAWOFVTUCVGX-RQDOONKYSA-N 0 1 238.375 2.188 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2C)[C@@H](C)CO1 ZINC000649737051 398079563 /nfs/dbraw/zinc/07/95/63/398079563.db2.gz PVMLNKNXSWYGAX-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC2(C1)CCCCC2 ZINC000174000008 398080770 /nfs/dbraw/zinc/08/07/70/398080770.db2.gz GOQCLQXACNDQKA-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)Cc1nnnn1C1CC1 ZINC000505460222 398081080 /nfs/dbraw/zinc/08/10/80/398081080.db2.gz ADZFNVRLKZLAIE-JQWIXIFHSA-N 0 1 249.362 2.019 20 0 BEADMN CCN(Cc1cccc(OC)c1F)[C@H](C)CO ZINC000644835343 398081904 /nfs/dbraw/zinc/08/19/04/398081904.db2.gz YBBZVLLBVFHJNT-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN c1cc(CNCCOC2CCCC2)sn1 ZINC000404429412 398085671 /nfs/dbraw/zinc/08/56/71/398085671.db2.gz HHEHFYKHKXEISU-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN Fc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291214410 398090824 /nfs/dbraw/zinc/09/08/24/398090824.db2.gz IVNNIAHWEXIZMV-AWEZNQCLSA-N 0 1 245.301 2.469 20 0 BEADMN CCCCNC(=O)[C@@H](C)N[C@H](C)c1cccnc1 ZINC000035206474 398091553 /nfs/dbraw/zinc/09/15/53/398091553.db2.gz KTWWIRKJGCQJFZ-VXGBXAGGSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1nccc(CN2CCC[C@H](OC(C)C)C2)n1 ZINC000649703771 398051040 /nfs/dbraw/zinc/05/10/40/398051040.db2.gz MEHIQHJLLSTJPJ-AWEZNQCLSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1nnsc1CN[C@H](C)CC(F)(F)F ZINC000389618609 398116560 /nfs/dbraw/zinc/11/65/60/398116560.db2.gz HQUKZTATGPGJCI-RXMQYKEDSA-N 0 1 239.266 2.277 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccccn1)[C@H](O)C(F)F ZINC000295049907 398131648 /nfs/dbraw/zinc/13/16/48/398131648.db2.gz NIJPOEYHPQKLEK-QXEWZRGKSA-N 0 1 244.285 2.137 20 0 BEADMN C[C@H]1C[N@@H+](CCOCC2CC2)C2(CCC2)CO1 ZINC000649823952 398126036 /nfs/dbraw/zinc/12/60/36/398126036.db2.gz ROKOVXHUWJUWSL-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H]1CN(CCOCC2CC2)C2(CCC2)CO1 ZINC000649823952 398126038 /nfs/dbraw/zinc/12/60/38/398126038.db2.gz ROKOVXHUWJUWSL-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)C2(CCC2)CO1 ZINC000649825645 398127704 /nfs/dbraw/zinc/12/77/04/398127704.db2.gz DGTWFAUXKNWAJU-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)(C)OCC(=O)Nc1ccc2cncn2c1 ZINC001647938017 1172779641 /nfs/dbraw/zinc/77/96/41/1172779641.db2.gz AHGIUYCORKBYPQ-UHFFFAOYSA-N 0 1 247.298 2.088 20 0 BEADMN CC(C)OCCC(=O)Nc1ccc2cncn2c1 ZINC001647936142 1172780695 /nfs/dbraw/zinc/78/06/95/1172780695.db2.gz YSBCKNLQFQTXRK-UHFFFAOYSA-N 0 1 247.298 2.088 20 0 BEADMN COCC(C)(C)CNc1cccc(C)n1 ZINC000276950641 174076238 /nfs/dbraw/zinc/07/62/38/174076238.db2.gz UDAUARBGRKBJCN-UHFFFAOYSA-N 0 1 208.305 2.475 20 0 BEADMN COCC[C@H](C)N(C)Cc1cc(OC)ns1 ZINC001648429989 1172832080 /nfs/dbraw/zinc/83/20/80/1172832080.db2.gz ZPOIGQRTBRHWKY-VIFPVBQESA-N 0 1 244.360 2.009 20 0 BEADMN CN(Cc1ccc(Cl)o1)C[C@H](O)C1CC1 ZINC000685460800 487529740 /nfs/dbraw/zinc/52/97/40/487529740.db2.gz FJAALQLBSIMEHR-JTQLQIEISA-N 0 1 229.707 2.136 20 0 BEADMN Cc1cc(CNC2([C@H]3CCCO3)CCC2)on1 ZINC001648623934 1172857983 /nfs/dbraw/zinc/85/79/83/1172857983.db2.gz FBGRUFIYHUBETH-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN CN(Cc1cc(F)ccc1F)C[C@H](O)C1CC1 ZINC000674315130 487560472 /nfs/dbraw/zinc/56/04/72/487560472.db2.gz YBBVNZFKBWAULP-ZDUSSCGKSA-N 0 1 241.281 2.168 20 0 BEADMN Clc1cnccc1N[C@@H]1CCN(C2CC2)C1 ZINC000086833138 487561299 /nfs/dbraw/zinc/56/12/99/487561299.db2.gz KLYSLPQPKKFGDJ-SECBINFHSA-N 0 1 237.734 2.384 20 0 BEADMN CC(C)OC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000049856062 167159590 /nfs/dbraw/zinc/15/95/90/167159590.db2.gz JBNJGKBXQDYDFL-CHWSQXEVSA-N 0 1 239.359 2.450 20 0 BEADMN CCCC[C@@H](C)N(C)CC(=O)Nc1ccon1 ZINC000685612359 487563876 /nfs/dbraw/zinc/56/38/76/487563876.db2.gz KEZSOFYCZNXJEZ-SNVBAGLBSA-N 0 1 239.319 2.124 20 0 BEADMN Cc1cccc2sc(NCc3nnc[nH]3)nc21 ZINC001650683639 1172890963 /nfs/dbraw/zinc/89/09/63/1172890963.db2.gz YNGALQHDPURVFN-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000674409887 487570889 /nfs/dbraw/zinc/57/08/89/487570889.db2.gz QQFKYSXMWDHJNQ-UWVGGRQHSA-N 0 1 235.331 2.090 20 0 BEADMN Clc1ccc(-c2nc([C@H]3CCCN3)no2)o1 ZINC000225423694 487572889 /nfs/dbraw/zinc/57/28/89/487572889.db2.gz CFOOMHVPCGZXIF-ZCFIWIBFSA-N 0 1 239.662 2.408 20 0 BEADMN CC[C@H](C)CNc1cccc2[nH]nnc21 ZINC001651096323 1172923734 /nfs/dbraw/zinc/92/37/34/1172923734.db2.gz BPRPLTBBXUEWKF-QMMMGPOBSA-N 0 1 204.277 2.416 20 0 BEADMN CC(C)OCCN(Cc1cccnc1)C1CC1 ZINC000180276980 167228344 /nfs/dbraw/zinc/22/83/44/167228344.db2.gz ZGRHSXAXNALFST-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@H](C)[N@@H+](CC)CCCCC(=O)[O-] ZINC000037113514 487581685 /nfs/dbraw/zinc/58/16/85/487581685.db2.gz SFYSCSXWFLQXSW-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN CC(C)OCCN1CCOC[C@H]1CC1CCC1 ZINC000339776197 167234052 /nfs/dbraw/zinc/23/40/52/167234052.db2.gz LJPUWSLJNYSOCI-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN COC[C@H]1CCCN1Cc1ccncc1Cl ZINC000674499374 487588690 /nfs/dbraw/zinc/58/86/90/487588690.db2.gz SZPXHLNMLUQXMM-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN C=Cn1cc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC001651400184 1172948570 /nfs/dbraw/zinc/94/85/70/1172948570.db2.gz HYQNKMBMTBXXRH-NWDGAFQWSA-N 0 1 223.295 2.354 20 0 BEADMN CC(C)OC[C@H](C)NCc1ccc(F)cn1 ZINC000309550205 167265864 /nfs/dbraw/zinc/26/58/64/167265864.db2.gz HYTFCBXRVCRMNP-JTQLQIEISA-N 0 1 226.295 2.124 20 0 BEADMN COc1ccc(SCc2nnc[nH]2)cc1 ZINC001651586329 1172963243 /nfs/dbraw/zinc/96/32/43/1172963243.db2.gz AGZDOZVOWCHOFM-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(Cl)cc1 ZINC001651621344 1172963554 /nfs/dbraw/zinc/96/35/54/1172963554.db2.gz UPDQRYRYILBCIG-VIFPVBQESA-N 0 1 240.715 2.306 20 0 BEADMN Fc1ccc(CNC/C=C\Cl)cn1 ZINC001651651542 1172969478 /nfs/dbraw/zinc/96/94/78/1172969478.db2.gz QRAALLOWAJUWER-RJRFIUFISA-N 0 1 200.644 2.063 20 0 BEADMN CCN(Cc1c(C2CC2)cnn1C)C1CC1 ZINC000667501413 487598623 /nfs/dbraw/zinc/59/86/23/487598623.db2.gz XSBCBRUQSBJCJO-UHFFFAOYSA-N 0 1 219.332 2.282 20 0 BEADMN CCC(CC)N(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000531296225 487600555 /nfs/dbraw/zinc/60/05/55/487600555.db2.gz ZRYXXSYAOHKDFJ-UHFFFAOYSA-N 0 1 235.331 2.132 20 0 BEADMN CC(C)SCCN1CCO[C@H]2CCC[C@H]21 ZINC000367224108 167325966 /nfs/dbraw/zinc/32/59/66/167325966.db2.gz KUOBDYZEGZFPOU-NEPJUHHUSA-N 0 1 229.389 2.381 20 0 BEADMN CC(C)SCCN1CCO[C@@H](C)[C@@H]1C ZINC000336703435 167326381 /nfs/dbraw/zinc/32/63/81/167326381.db2.gz ZZLZFTOAFOMQQR-QWRGUYRKSA-N 0 1 217.378 2.237 20 0 BEADMN CC(C)SCCN1C[C@H](C)OC[C@@H]1C ZINC000336684237 167327614 /nfs/dbraw/zinc/32/76/14/167327614.db2.gz JJLGGLJWLGAIBU-QWRGUYRKSA-N 0 1 217.378 2.237 20 0 BEADMN F[C@H]1CCN(CCOCc2ccccc2)C1 ZINC000660693558 409557152 /nfs/dbraw/zinc/55/71/52/409557152.db2.gz YETWWNXPZZDVKV-ZDUSSCGKSA-N 0 1 223.291 2.247 20 0 BEADMN c1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)no1 ZINC000662310931 409634844 /nfs/dbraw/zinc/63/48/44/409634844.db2.gz WCAUSGKILSSGRT-OKILXGFUSA-N 0 1 248.326 2.067 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)co1 ZINC000660700745 409580394 /nfs/dbraw/zinc/58/03/94/409580394.db2.gz MLPUYNCAZYBASM-JHJVBQTASA-N 0 1 248.326 2.030 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)C[C@H]1CC1(C)C ZINC000662343494 409656613 /nfs/dbraw/zinc/65/66/13/409656613.db2.gz KCYSMPORXPEVRP-VHSXEESVSA-N 0 1 234.347 2.098 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232566753 487610479 /nfs/dbraw/zinc/61/04/79/487610479.db2.gz BQUOKUMEGNBVNO-ZDUSSCGKSA-N 0 1 227.348 2.465 20 0 BEADMN CO[C@H]1C[C@@H](NCc2coc(C)n2)C12CCC2 ZINC000660780170 409738643 /nfs/dbraw/zinc/73/86/43/409738643.db2.gz ZMAUUWYNERQPEC-NEPJUHHUSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC000655266727 409770747 /nfs/dbraw/zinc/77/07/47/409770747.db2.gz MMYNJMIAZSAAFY-BZPMIXESSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)SCCNCc1cn(C(C)C)nn1 ZINC000336675644 167332251 /nfs/dbraw/zinc/33/22/51/167332251.db2.gz VGMYKXMLFQDHEE-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)[C@H]2C)[nH]1 ZINC000660824584 409800944 /nfs/dbraw/zinc/80/09/44/409800944.db2.gz OLJBILMUWLWHCM-ZDCRXTMVSA-N 0 1 236.363 2.404 20 0 BEADMN CO[C@](C)(CNCc1nccs1)C1CC1 ZINC000308808295 409905087 /nfs/dbraw/zinc/90/50/87/409905087.db2.gz GNGAWVPHYCLWFU-LLVKDONJSA-N 0 1 226.345 2.048 20 0 BEADMN Cc1ccc(Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396644 409970817 /nfs/dbraw/zinc/97/08/17/409970817.db2.gz XCSBTWOKENPEHP-LBPRGKRZSA-N 0 1 243.310 2.393 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C1CCC1)[C@H]1C=CCCC1 ZINC000573267997 410064940 /nfs/dbraw/zinc/06/49/40/410064940.db2.gz WMVWORUXPJFVBY-MNOVXSKESA-N 0 1 223.316 2.423 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1ccsc1C(=O)[O-] ZINC000663316222 410109629 /nfs/dbraw/zinc/10/96/29/410109629.db2.gz UYVJICWMACLXLG-UHFFFAOYSA-N 0 1 237.324 2.431 20 0 BEADMN C[C@H](COCC1CC1)NCc1nccs1 ZINC000651982099 410123158 /nfs/dbraw/zinc/12/31/58/410123158.db2.gz LXMSBUAGVAWOFM-SECBINFHSA-N 0 1 226.345 2.048 20 0 BEADMN CCc1noc(CN(CC)[C@H](C)CC)n1 ZINC000661106709 410251871 /nfs/dbraw/zinc/25/18/71/410251871.db2.gz NWBSLZPVCVUBNH-SECBINFHSA-N 0 1 211.309 2.252 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCCCCF ZINC000309139798 410260500 /nfs/dbraw/zinc/26/05/00/410260500.db2.gz VGUUJKNVISKGCI-LLVKDONJSA-N 0 1 231.311 2.455 20 0 BEADMN C[C@@H]1C[C@@H]1CNc1cnn(-c2ccncc2)c1 ZINC000683109454 487614711 /nfs/dbraw/zinc/61/47/11/487614711.db2.gz FLZLBSGYBZFQDK-GHMZBOCLSA-N 0 1 228.299 2.335 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)NCc1cn[nH]c1C ZINC000663691133 410312540 /nfs/dbraw/zinc/31/25/40/410312540.db2.gz YCINWOWOASOCFS-SECBINFHSA-N 0 1 238.335 2.048 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1CCC2 ZINC000650806126 410514942 /nfs/dbraw/zinc/51/49/42/410514942.db2.gz RCBLTKKZGJRJQS-CQSZACIVSA-N 0 1 247.338 2.470 20 0 BEADMN C(=C\c1ccccc1)\COCCc1c[nH]nn1 ZINC000357014930 166227734 /nfs/dbraw/zinc/22/77/34/166227734.db2.gz CENSXJZVNMBDAD-DAXSKMNVSA-N 0 1 229.283 2.077 20 0 BEADMN Cn1nccc1CN1CCC(C2CCC2)CC1 ZINC000661373325 410590414 /nfs/dbraw/zinc/59/04/14/410590414.db2.gz AHHWQODATZWUFV-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN CCN[C@H](C)c1nc(-c2cccs2)no1 ZINC000070131150 410699051 /nfs/dbraw/zinc/69/90/51/410699051.db2.gz NJZHKJJTBAWIDD-SSDOTTSWSA-N 0 1 223.301 2.469 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](C2CCC2)C1 ZINC000665290323 410776478 /nfs/dbraw/zinc/77/64/78/410776478.db2.gz TUUXRYOQHTVNIJ-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000395005592 410833581 /nfs/dbraw/zinc/83/35/81/410833581.db2.gz JAWFCQBELLEINZ-VHSKPIJISA-N 0 1 226.345 2.107 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000103054998 410875064 /nfs/dbraw/zinc/87/50/64/410875064.db2.gz RJESLIWAXWDLTD-UHFFFAOYSA-N 0 1 202.257 2.103 20 0 BEADMN CC(C)C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294253347 167008797 /nfs/dbraw/zinc/00/87/97/167008797.db2.gz NLEKOHXRLRDBFA-UHFFFAOYSA-N 0 1 215.243 2.416 20 0 BEADMN CC(C)NC(=O)CNCc1cc2ccccc2o1 ZINC000035136121 167058703 /nfs/dbraw/zinc/05/87/03/167058703.db2.gz MSTZZFWTOZRSQU-UHFFFAOYSA-N 0 1 246.310 2.047 20 0 BEADMN CC(C)OC(=O)[C@H](C)N1CCCCCC1 ZINC000354893056 167169934 /nfs/dbraw/zinc/16/99/34/167169934.db2.gz FZXFQEHQJIIEDA-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)OCCCNCc1cscn1 ZINC000040420532 167224260 /nfs/dbraw/zinc/22/42/60/167224260.db2.gz YZRRKEKSJVRSPN-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN CC(C)ONC(=O)[C@H]1CCOc2ccccc21 ZINC000294086354 167278204 /nfs/dbraw/zinc/27/82/04/167278204.db2.gz LTSMFYRSSIEUFE-NSHDSACASA-N 0 1 235.283 2.009 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc(Cl)nc1 ZINC000179935195 410912177 /nfs/dbraw/zinc/91/21/77/410912177.db2.gz MLTMSZXPTFRBQK-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN CC(C)[C@@H](CCO)NCc1csc(Cl)n1 ZINC000294888280 167393130 /nfs/dbraw/zinc/39/31/30/167393130.db2.gz CRZVJULOWDONHR-SECBINFHSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)c1ccc(CN)o1 ZINC000398090852 410941798 /nfs/dbraw/zinc/94/17/98/410941798.db2.gz OCMOZVDUUJMZAO-VIFPVBQESA-N 0 1 236.315 2.047 20 0 BEADMN CC[C@@H](N[C@@H](C)CCCCO)C(F)F ZINC000651364361 410953200 /nfs/dbraw/zinc/95/32/00/410953200.db2.gz RINOBQRHTNNDKM-DTWKUNHWSA-N 0 1 209.280 2.171 20 0 BEADMN CC[C@H](NCc1c[nH]nn1)c1ccccc1F ZINC000398297038 410956589 /nfs/dbraw/zinc/95/65/89/410956589.db2.gz OVXRGAPGJVKRCM-LBPRGKRZSA-N 0 1 234.278 2.185 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H](CO)CCF)o1 ZINC000652015856 410972119 /nfs/dbraw/zinc/97/21/19/410972119.db2.gz NCALPFDKEICZCD-SCVCMEIPSA-N 0 1 241.306 2.213 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000117196022 167468541 /nfs/dbraw/zinc/46/85/41/167468541.db2.gz JGZWCAHUTHPBJE-NSHDSACASA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1c(O)cccc1F ZINC000335757308 167478431 /nfs/dbraw/zinc/47/84/31/167478431.db2.gz CPHBPWSEGZQXFY-SNVBAGLBSA-N 0 1 237.274 2.402 20 0 BEADMN OC[C@@H](CCF)NCc1cc(Cl)ccc1F ZINC000652018746 410995844 /nfs/dbraw/zinc/99/58/44/410995844.db2.gz BNZJEWNWBZVZRZ-SNVBAGLBSA-N 0 1 249.688 2.289 20 0 BEADMN CC[N@@H+](CCCO)Cc1cc2cnccc2o1 ZINC000651645041 411132788 /nfs/dbraw/zinc/13/27/88/411132788.db2.gz GMHBVZMHYNEDFV-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN CCC1(CC)CCCN(Cc2nccc(N)n2)C1 ZINC000661672174 411141176 /nfs/dbraw/zinc/14/11/76/411141176.db2.gz LXUWISVCQGMUOY-UHFFFAOYSA-N 0 1 248.374 2.461 20 0 BEADMN CCCCN(CC)CC(=O)Nc1cc(C)no1 ZINC000045770613 411148872 /nfs/dbraw/zinc/14/88/72/411148872.db2.gz BQNWSSYWYCVCJZ-UHFFFAOYSA-N 0 1 239.319 2.044 20 0 BEADMN C=Cn1cc(CN2CCC[C@H](OC(C)C)C2)cn1 ZINC000651897838 411149540 /nfs/dbraw/zinc/14/95/40/411149540.db2.gz MPZSJHGXOYMFDY-AWEZNQCLSA-N 0 1 249.358 2.373 20 0 BEADMN C=Cn1cc(CN2CCC[C@@H](OC(C)C)C2)cn1 ZINC000651897844 411149612 /nfs/dbraw/zinc/14/96/12/411149612.db2.gz MPZSJHGXOYMFDY-CQSZACIVSA-N 0 1 249.358 2.373 20 0 BEADMN CC[C@H]1COC(C)(C)CN1Cc1c[nH]nc1C ZINC000651912332 411150297 /nfs/dbraw/zinc/15/02/97/411150297.db2.gz UDISXFZXJBVQPT-LBPRGKRZSA-N 0 1 237.347 2.108 20 0 BEADMN C[C@]1(O)CCN(Cc2nsc3ccccc32)C1 ZINC000659985623 411156067 /nfs/dbraw/zinc/15/60/67/411156067.db2.gz OOTWXQXXJNGWQW-ZDUSSCGKSA-N 0 1 248.351 2.253 20 0 BEADMN COC[C@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659989118 411158861 /nfs/dbraw/zinc/15/88/61/411158861.db2.gz BZQRMLQROGEXJL-LLVKDONJSA-N 0 1 236.315 2.163 20 0 BEADMN COc1cc(CN(C)[C@H](C)C2(C)CC2)on1 ZINC000659995174 411160806 /nfs/dbraw/zinc/16/08/06/411160806.db2.gz YBBNTOVBJXTQQX-SECBINFHSA-N 0 1 224.304 2.304 20 0 BEADMN CC1(C)CC[N@@H+](Cc2cnn[n-]2)CC(C)(C)C1 ZINC000661625752 411086701 /nfs/dbraw/zinc/08/67/01/411086701.db2.gz GLXKRCZEUUAOME-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CC(C)(C)n1cc(CNC2CC3(CCC3)C2)nn1 ZINC000652042045 411092287 /nfs/dbraw/zinc/09/22/87/411092287.db2.gz AKAMVVYBVLMDAY-UHFFFAOYSA-N 0 1 248.374 2.455 20 0 BEADMN CCC1=NN(Cc2ccccc2)C(=O)[C@H]1C ZINC000110454719 411098800 /nfs/dbraw/zinc/09/88/00/411098800.db2.gz NKZQQDNPRBTQBE-JTQLQIEISA-N 0 1 216.284 2.431 20 0 BEADMN CCc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000110454719 411098802 /nfs/dbraw/zinc/09/88/02/411098802.db2.gz NKZQQDNPRBTQBE-JTQLQIEISA-N 0 1 216.284 2.431 20 0 BEADMN CCc1nocc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652064079 411103198 /nfs/dbraw/zinc/10/31/98/411103198.db2.gz CGZDYYRGDTWXCU-LLVKDONJSA-N 0 1 242.269 2.468 20 0 BEADMN Cc1nocc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652064247 411104312 /nfs/dbraw/zinc/10/43/12/411104312.db2.gz JFAQREOJOGMZGL-SNVBAGLBSA-N 0 1 228.242 2.214 20 0 BEADMN CCN(CC)Cc1ccc(C(=O)NC2CC2)o1 ZINC000047220728 411117923 /nfs/dbraw/zinc/11/79/23/411117923.db2.gz USDGDQOOBKRQSS-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN CCCCCNC(=O)[C@H]1NCCc2ccccc21 ZINC000043512311 411120742 /nfs/dbraw/zinc/12/07/42/411120742.db2.gz XKVUDUJDAZRUCW-AWEZNQCLSA-N 0 1 246.354 2.180 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC[C@H](C2CC2)C1 ZINC000653677899 411169726 /nfs/dbraw/zinc/16/97/26/411169726.db2.gz KLTCPKRJYYLDIN-JQWIXIFHSA-N 0 1 246.358 2.242 20 0 BEADMN FCC1(CF)CC(NCc2ncccc2F)C1 ZINC000657933378 411172461 /nfs/dbraw/zinc/17/24/61/411172461.db2.gz UHCYUCLXHTWRNJ-UHFFFAOYSA-N 0 1 244.260 2.398 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000123858943 411176594 /nfs/dbraw/zinc/17/65/94/411176594.db2.gz KXUOIESZWWDHIR-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](NCc1cocn1)C(C)(C)C(F)F ZINC000657948365 411177646 /nfs/dbraw/zinc/17/76/46/411177646.db2.gz SUNLFFBPQIFBJW-ZETCQYMHSA-N 0 1 218.247 2.444 20 0 BEADMN c1nc(CN[C@@H]2CCCSCC2)co1 ZINC000657947794 411177845 /nfs/dbraw/zinc/17/78/45/411177845.db2.gz PNBAAEUJDNEJBD-SECBINFHSA-N 0 1 212.318 2.050 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CC=CCC1)C1CCC1 ZINC000656100947 411178039 /nfs/dbraw/zinc/17/80/39/411178039.db2.gz GQSACFREUQSTER-LLVKDONJSA-N 0 1 223.316 2.282 20 0 BEADMN CCC[C@H](C)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101477 411178986 /nfs/dbraw/zinc/17/89/86/411178986.db2.gz MWWXLURYBUAZHX-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN c1cn2c(n1)[C@@H](NCCOCC1CCC1)CCC2 ZINC000655755015 411185099 /nfs/dbraw/zinc/18/50/99/411185099.db2.gz LHJBFCGOKGIIHV-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1C(=O)[O-] ZINC000309793891 411248217 /nfs/dbraw/zinc/24/82/17/411248217.db2.gz UXFZOBFBUFAQCB-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN COc1cccc(CN(C)[C@@H](C)CO)c1Cl ZINC000660125675 411243866 /nfs/dbraw/zinc/24/38/66/411243866.db2.gz POJNVGHFZKCXML-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN COCCN(Cc1ccc2c(n1)CCC2)C1CC1 ZINC000656412941 411244294 /nfs/dbraw/zinc/24/42/94/411244294.db2.gz XEOUIPYWFJZVAP-UHFFFAOYSA-N 0 1 246.354 2.181 20 0 BEADMN CC(C)CNC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000048433996 411199237 /nfs/dbraw/zinc/19/92/37/411199237.db2.gz FYZGNBQUNOSQMI-ZDUSSCGKSA-N 0 1 248.370 2.452 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)C1CCC(F)(F)CC1 ZINC000653872042 411202773 /nfs/dbraw/zinc/20/27/73/411202773.db2.gz NGYYMFJJQZJAEI-QMMMGPOBSA-N 0 1 244.289 2.108 20 0 BEADMN C[C@H](N[C@@H]1CCCSCC1)c1csnn1 ZINC000658034899 411210608 /nfs/dbraw/zinc/21/06/08/411210608.db2.gz MDROYHYGCLSXAU-DTWKUNHWSA-N 0 1 243.401 2.474 20 0 BEADMN COCC1(CNc2cc(C)ccn2)CC1 ZINC000656214348 411211490 /nfs/dbraw/zinc/21/14/90/411211490.db2.gz SDXLMECGCWRBCL-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN CCC1(NC(=O)[C@H](C)N(C)C)CCCCC1 ZINC000653896076 411212818 /nfs/dbraw/zinc/21/28/18/411212818.db2.gz VOOTUGBFAREMMN-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000652411445 411232831 /nfs/dbraw/zinc/23/28/31/411232831.db2.gz MLHGEJITKXDZQY-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C3CCC3)CC2)c1C ZINC000652868746 411233255 /nfs/dbraw/zinc/23/32/55/411233255.db2.gz QDMUIUAVQSGMHT-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000652416025 411235247 /nfs/dbraw/zinc/23/52/47/411235247.db2.gz ZKOLWAXKXVBHKF-TUAOUCFPSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000652416022 411235548 /nfs/dbraw/zinc/23/55/48/411235548.db2.gz ZKOLWAXKXVBHKF-GRYCIOLGSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1C(=O)[O-] ZINC000309793888 411247913 /nfs/dbraw/zinc/24/79/13/411247913.db2.gz UXFZOBFBUFAQCB-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)=CCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000660001418 411165726 /nfs/dbraw/zinc/16/57/26/411165726.db2.gz QKKPPQHXFTZDFH-QWHCGFSZSA-N 0 1 236.359 2.086 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000086807702 411261441 /nfs/dbraw/zinc/26/14/41/411261441.db2.gz CHOQQNUJBDIJSR-VXGBXAGGSA-N 0 1 235.327 2.443 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000086807672 411261638 /nfs/dbraw/zinc/26/16/38/411261638.db2.gz HEKKTALDEWXULD-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN CC[C@@H](C)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000050426985 411261660 /nfs/dbraw/zinc/26/16/60/411261660.db2.gz JKNHYRZQEVHGAA-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CCc1ccccc1C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000086807071 411261815 /nfs/dbraw/zinc/26/18/15/411261815.db2.gz AKMSVFXIWLPYCU-LLVKDONJSA-N 0 1 235.327 2.402 20 0 BEADMN CC(C)(C)n1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000656454471 411262193 /nfs/dbraw/zinc/26/21/93/411262193.db2.gz BYZKYEGGWJQZNR-GFCCVEGCSA-N 0 1 248.305 2.220 20 0 BEADMN CC(C)(C)Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000656454209 411262215 /nfs/dbraw/zinc/26/22/15/411262215.db2.gz LOMIJBKXGLOCBC-ZDUSSCGKSA-N 0 1 244.342 2.372 20 0 BEADMN CC[C@@H](C)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515300 411262633 /nfs/dbraw/zinc/26/26/33/411262633.db2.gz XKUCSKXNNAAPPB-ADEWGFFLSA-N 0 1 225.332 2.075 20 0 BEADMN OC/C=C/CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000658139012 411263197 /nfs/dbraw/zinc/26/31/97/411263197.db2.gz PSPJUJMRDOVVGS-MUBLQREKSA-N 0 1 249.358 2.169 20 0 BEADMN CC(C)CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515813 411263483 /nfs/dbraw/zinc/26/34/83/411263483.db2.gz NRNZGSSZPUWDHT-NWDGAFQWSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H](NC/C=C/CO)c1cccc(F)c1F ZINC000658140573 411264815 /nfs/dbraw/zinc/26/48/15/411264815.db2.gz SROHYGISAZSWRO-GKQMSVHHSA-N 0 1 227.254 2.164 20 0 BEADMN C[C@H](NC/C=C\CO)c1cnn(C2CCCC2)c1 ZINC000658141679 411264836 /nfs/dbraw/zinc/26/48/36/411264836.db2.gz XQUHPWVAAIIPIZ-RXNFCKPNSA-N 0 1 249.358 2.197 20 0 BEADMN CN(Cc1cccs1)Cc1ccc(N)nc1 ZINC000050813479 411266939 /nfs/dbraw/zinc/26/69/39/411266939.db2.gz ABJHCQDXCZVGQE-UHFFFAOYSA-N 0 1 233.340 2.357 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000659786646 411272261 /nfs/dbraw/zinc/27/22/61/411272261.db2.gz UPMZENFYZCPYHI-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN CC(C)(C(=O)N1CCC12CCCC2)c1c[nH]cn1 ZINC000652568893 411274728 /nfs/dbraw/zinc/27/47/28/411274728.db2.gz XABWDVUBJOWKRW-UHFFFAOYSA-N 0 1 247.342 2.232 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H](C)c2cc3n(n2)CCC3)C1 ZINC000658162292 411275157 /nfs/dbraw/zinc/27/51/57/411275157.db2.gz RYQINSHBJPFNCH-NQBHXWOUSA-N 0 1 249.358 2.047 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CCC12CCCC2 ZINC000652570325 411275293 /nfs/dbraw/zinc/27/52/93/411275293.db2.gz ZAJDFXIRTCRMCT-GFCCVEGCSA-N 0 1 236.359 2.016 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H](C)c2cc(C)on2)C1 ZINC000658162861 411275840 /nfs/dbraw/zinc/27/58/40/411275840.db2.gz WORHJTCEKQQNAW-GMTAPVOTSA-N 0 1 224.304 2.201 20 0 BEADMN CCCC[C@@H](CC)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658162855 411276388 /nfs/dbraw/zinc/27/63/88/411276388.db2.gz WLPLXWLLVMQINK-SNVBAGLBSA-N 0 1 240.351 2.010 20 0 BEADMN C[C@H](NCCO[C@H]1CC1(F)F)c1ccco1 ZINC000658164746 411277442 /nfs/dbraw/zinc/27/74/42/411277442.db2.gz GXGGSFHKSXTLRJ-WPRPVWTQSA-N 0 1 231.242 2.354 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC=CC2)[C@@H](C(=O)[O-])C1 ZINC000659790083 411279977 /nfs/dbraw/zinc/27/99/77/411279977.db2.gz WXKSWTKSIVRAMW-CMPLNLGQSA-N 0 1 223.316 2.138 20 0 BEADMN FC(F)(F)CC1CN(CC2=CCCOC2)C1 ZINC000656686621 411328940 /nfs/dbraw/zinc/32/89/40/411328940.db2.gz QYMFVLQTYPACFL-UHFFFAOYSA-N 0 1 235.249 2.217 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1cccnc1Cl ZINC000185821752 411291619 /nfs/dbraw/zinc/29/16/19/411291619.db2.gz IMIVHSSSKMKPLN-VUDBWIFFSA-N 0 1 240.734 2.152 20 0 BEADMN CC1(C)C(NC(=O)[C@H](N)c2ccccc2)C1(C)C ZINC000092818219 167880941 /nfs/dbraw/zinc/88/09/41/167880941.db2.gz ULEDWVFQARWDHU-LLVKDONJSA-N 0 1 246.354 2.237 20 0 BEADMN C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802161 411293583 /nfs/dbraw/zinc/29/35/83/411293583.db2.gz QQWDXLPKUISSAO-BBBLOLIVSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@H](NC[C@@]1(C)CC1(F)F)c1nccn1C ZINC000658216382 411297017 /nfs/dbraw/zinc/29/70/17/411297017.db2.gz BDBHEBLJEJJGSV-WCBMZHEXSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@@H]1C[C@H](NC[C@H]2CCC[C@@H](C)O2)c2nccn21 ZINC000658216792 411297303 /nfs/dbraw/zinc/29/73/03/411297303.db2.gz UOXCSFRICVEAMO-LPWJVIDDSA-N 0 1 249.358 2.436 20 0 BEADMN CCCCN(C)[C@@H](C)c1n[nH]c(CC)n1 ZINC000659814323 411300730 /nfs/dbraw/zinc/30/07/30/411300730.db2.gz PWLSBIMUSAQYSN-VIFPVBQESA-N 0 1 210.325 2.160 20 0 BEADMN C[C@H](N[C@]1(C)CC1(C)C)c1nccn1C ZINC000658309562 411331019 /nfs/dbraw/zinc/33/10/19/411331019.db2.gz XFIVLICRCMSGJV-JOYOIKCWSA-N 0 1 207.321 2.259 20 0 BEADMN COc1cc(CN2CCC[C@@H](C)C2)sn1 ZINC000659828675 411311291 /nfs/dbraw/zinc/31/12/91/411311291.db2.gz IURTUPVFJRGVMS-SECBINFHSA-N 0 1 226.345 2.384 20 0 BEADMN Cc1ccc(O)c(CN2CC3(CC(F)C3)C2)n1 ZINC000656693933 411331470 /nfs/dbraw/zinc/33/14/70/411331470.db2.gz HQQJIZHWNBHKGJ-UHFFFAOYSA-N 0 1 236.290 2.030 20 0 BEADMN FC1CC2(C1)CN(Cc1[nH]nc3ccccc31)C2 ZINC000656693859 411331479 /nfs/dbraw/zinc/33/14/79/411331479.db2.gz GJLRXLUJOYMZRW-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](C)O[C@@H](C)C2)cn1 ZINC000661852868 411319526 /nfs/dbraw/zinc/31/95/26/411319526.db2.gz JYETWROZAIQWMP-AGIUHOORSA-N 0 1 249.358 2.345 20 0 BEADMN C[C@H](Cc1ccccc1F)NCc1ncccn1 ZINC000658278762 411319970 /nfs/dbraw/zinc/31/99/70/411319970.db2.gz PQXIQERYFGCOFA-LLVKDONJSA-N 0 1 245.301 2.337 20 0 BEADMN c1cn2c(n1)[C@H](NCC1=CCCC1)CC2 ZINC000658291892 411324283 /nfs/dbraw/zinc/32/42/83/411324283.db2.gz WICUNHPSCAARQK-LLVKDONJSA-N 0 1 203.289 2.028 20 0 BEADMN c1cn2c(n1)[C@@H](NCC1=CCCC1)CC2 ZINC000658291894 411325157 /nfs/dbraw/zinc/32/51/57/411325157.db2.gz WICUNHPSCAARQK-NSHDSACASA-N 0 1 203.289 2.028 20 0 BEADMN Cc1ccncc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467360 411249880 /nfs/dbraw/zinc/24/98/80/411249880.db2.gz VBBLWRKGSQYXJI-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1ccnc(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000652478407 411252627 /nfs/dbraw/zinc/25/26/27/411252627.db2.gz ARRXWPHYXBZUJY-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CC(C)(C)OCCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000652484388 411253992 /nfs/dbraw/zinc/25/39/92/411253992.db2.gz HXTJKOSRGUKZSG-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN COc1ccc(C)cc1[C@@H](C)NC/C=C\CO ZINC000658131491 411255363 /nfs/dbraw/zinc/25/53/63/411255363.db2.gz CDOKOECEALTMCH-QMAVJUDZSA-N 0 1 235.327 2.203 20 0 BEADMN CC[C@@H](NC/C=C/CO)c1ccccc1F ZINC000658132753 411256521 /nfs/dbraw/zinc/25/65/21/411256521.db2.gz BFJSXUALHBHJQZ-URWSZGRFSA-N 0 1 223.291 2.415 20 0 BEADMN CC1(C)C[C@]1(C)N[C@@H]1CCn2ccnc21 ZINC000658300271 411326791 /nfs/dbraw/zinc/32/67/91/411326791.db2.gz CQQPFRMJPWMOJN-SKDRFNHKSA-N 0 1 205.305 2.106 20 0 BEADMN CC(C)n1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000656440080 411257361 /nfs/dbraw/zinc/25/73/61/411257361.db2.gz KUAKUKGBRCBJQB-LBPRGKRZSA-N 0 1 234.278 2.046 20 0 BEADMN CC(C)n1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000656440079 411257764 /nfs/dbraw/zinc/25/77/64/411257764.db2.gz KUAKUKGBRCBJQB-GFCCVEGCSA-N 0 1 234.278 2.046 20 0 BEADMN CC(C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501660 411260298 /nfs/dbraw/zinc/26/02/98/411260298.db2.gz GDSPNDMEDALBPH-CQSZACIVSA-N 0 1 233.311 2.123 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cn(C)cn2)CC1 ZINC000659858394 411349798 /nfs/dbraw/zinc/34/97/98/411349798.db2.gz VHLWCIFLUAIIGQ-NSHDSACASA-N 0 1 207.321 2.042 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H]3COC[C@@H]3C2)o1 ZINC000662036482 411351789 /nfs/dbraw/zinc/35/17/89/411351789.db2.gz RWEVYZOAAQQOEF-SRVKXCTJSA-N 0 1 236.315 2.012 20 0 BEADMN C[C@H](NCc1cc(C2CC2)no1)[C@H]1CCCO1 ZINC000660265498 411351908 /nfs/dbraw/zinc/35/19/08/411351908.db2.gz ZBSJAWKLRQZNFC-TVQRCGJNSA-N 0 1 236.315 2.209 20 0 BEADMN CCC(=O)CCCN1C[C@H](CC)OC[C@@H]1C ZINC000403752382 411357708 /nfs/dbraw/zinc/35/77/08/411357708.db2.gz FSQWPOWMQKYVRJ-AAEUAGOBSA-N 0 1 227.348 2.245 20 0 BEADMN CO[C@H](CN(C(C)C)C1COC1)C1CCCC1 ZINC000660648895 411373151 /nfs/dbraw/zinc/37/31/51/411373151.db2.gz YQIXBYGCWYJVJA-CQSZACIVSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(N)c2)[C@@H](C)CO1 ZINC000403756346 411358016 /nfs/dbraw/zinc/35/80/16/411358016.db2.gz YVWKAOVLPMREHJ-SMDDNHRTSA-N 0 1 234.343 2.268 20 0 BEADMN CCc1ccc(C)nc1NCc1cc[nH]n1 ZINC000656778175 411358125 /nfs/dbraw/zinc/35/81/25/411358125.db2.gz QSYHHSCQEIZEBT-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656768409 411363340 /nfs/dbraw/zinc/36/33/40/411363340.db2.gz XYRFULUWPWUKKM-SRVKXCTJSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000071203116 411373596 /nfs/dbraw/zinc/37/35/96/411373596.db2.gz JQNOFSIOWOHZTR-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN C(CC1CCC1)CN1CCOCC12CC2 ZINC000660489627 411365848 /nfs/dbraw/zinc/36/58/48/411365848.db2.gz QFCCAAVYQOWDAZ-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CCC(CC)c1nc([C@@H]2CCCN2)no1 ZINC000070947097 411370654 /nfs/dbraw/zinc/37/06/54/411370654.db2.gz WLQDTWJTXMPDKY-VIFPVBQESA-N 0 1 209.293 2.398 20 0 BEADMN CCc1nn(C)cc1CN1CC(C)(CC)C1 ZINC000656807550 411374152 /nfs/dbraw/zinc/37/41/52/411374152.db2.gz DUIYNGKGBNGNKR-UHFFFAOYSA-N 0 1 221.348 2.214 20 0 BEADMN CO[C@H](CN(C1CC1)C1COC1)C1CCCC1 ZINC000660648890 411371600 /nfs/dbraw/zinc/37/16/00/411371600.db2.gz YKRQWASWMJUAOF-CQSZACIVSA-N 0 1 239.359 2.055 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H]1CCCc2cccnc21 ZINC000658333354 411340776 /nfs/dbraw/zinc/34/07/76/411340776.db2.gz WPGACIWIQIOBCB-SCRDCRAPSA-N 0 1 232.327 2.226 20 0 BEADMN COC[C@@H](NCc1cc(C2CC2)no1)C(C)C ZINC000660255020 411343519 /nfs/dbraw/zinc/34/35/19/411343519.db2.gz XMNBBAJQSDRGTF-CYBMUJFWSA-N 0 1 238.331 2.313 20 0 BEADMN COC[C@@H](CC(C)C)N[C@@H](C)c1nccn1C ZINC000658335684 411343804 /nfs/dbraw/zinc/34/38/04/411343804.db2.gz FGEJAYHSLNPCGF-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1c(F)cccc1F ZINC000129614187 168008749 /nfs/dbraw/zinc/00/87/49/168008749.db2.gz GHSNNWWHYMVPTP-VXGBXAGGSA-N 0 1 241.281 2.214 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1cccc(F)c1F ZINC000128333648 168008801 /nfs/dbraw/zinc/00/88/01/168008801.db2.gz DADXPMPZUWNCJT-GHMZBOCLSA-N 0 1 241.281 2.214 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656761058 411345525 /nfs/dbraw/zinc/34/55/25/411345525.db2.gz LEVJVBLKTKRMRS-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CC2)[C@@H]2CCCC[C@H]12 ZINC000656763429 411346632 /nfs/dbraw/zinc/34/66/32/411346632.db2.gz FNYLHAXSNDWJOM-JHJVBQTASA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CC2)[C@@H]2CCCC[C@@H]12 ZINC000656763432 411347222 /nfs/dbraw/zinc/34/72/22/411347222.db2.gz FNYLHAXSNDWJOM-YNEHKIRRSA-N 0 1 237.343 2.362 20 0 BEADMN CC1(CNCc2ccccc2F)OCCCO1 ZINC000192252770 168044273 /nfs/dbraw/zinc/04/42/73/168044273.db2.gz BSOAHTBJCPKQMN-UHFFFAOYSA-N 0 1 239.290 2.068 20 0 BEADMN CC1(NC(=O)c2[nH]nc3c2CCC3)CCCCC1 ZINC000299099271 168062986 /nfs/dbraw/zinc/06/29/86/168062986.db2.gz HTMPXXGHFUMKRT-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN CC1=C(C)CN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000280306160 168083153 /nfs/dbraw/zinc/08/31/53/168083153.db2.gz WJUBSUJTEBBHPW-UHFFFAOYSA-N 0 1 245.326 2.469 20 0 BEADMN CC1=CCCN(CCOCC(F)(F)F)C1 ZINC000336697225 168098369 /nfs/dbraw/zinc/09/83/69/168098369.db2.gz NJDPRBMVPVWQBU-UHFFFAOYSA-N 0 1 223.238 2.217 20 0 BEADMN CC1=CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000293020041 168099736 /nfs/dbraw/zinc/09/97/36/168099736.db2.gz VHYNMAJBQSOWIK-UHFFFAOYSA-N 0 1 234.347 2.254 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1nnc[nH]1 ZINC000191074478 168102105 /nfs/dbraw/zinc/10/21/05/168102105.db2.gz VXBFXEZHMLBRDA-NEPJUHHUSA-N 0 1 234.347 2.229 20 0 BEADMN Cc1cc([C@H](C)NCCN2CC=C(C)CC2)no1 ZINC000340496700 168112282 /nfs/dbraw/zinc/11/22/82/168112282.db2.gz JNCGIRJVCLKQRZ-ZDUSSCGKSA-N 0 1 249.358 2.286 20 0 BEADMN CC1=CCN([C@@H](C)c2cnccn2)CC1 ZINC000274314575 168116992 /nfs/dbraw/zinc/11/69/92/168116992.db2.gz GUHONQIDYYXIJO-NSHDSACASA-N 0 1 203.289 2.190 20 0 BEADMN C[N@H+](CC(=O)[O-])C[C@H]1CCCCC1(C)C ZINC000662199472 411376366 /nfs/dbraw/zinc/37/63/66/411376366.db2.gz XMHCXUCHDIHJGV-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H](CNC(=O)[C@](C)(N)c1ccccc1)C1CC1 ZINC000125504201 411376418 /nfs/dbraw/zinc/37/64/18/411376418.db2.gz RTPUEWLARVVONS-XHDPSFHLSA-N 0 1 246.354 2.023 20 0 BEADMN CC1CCN(CC(=O)N(C)CC(C)(C)C)CC1 ZINC000354549704 168177088 /nfs/dbraw/zinc/17/70/88/168177088.db2.gz WVIYEXAOGSGVKY-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000273476414 168178322 /nfs/dbraw/zinc/17/83/22/168178322.db2.gz HXCNZIWOWWBYME-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN COc1cc(CN2CCC[C@@H](C)[C@@H]2C)on1 ZINC000659950131 411391967 /nfs/dbraw/zinc/39/19/67/411391967.db2.gz LEVFGFKSNXLUMG-ZJUUUORDSA-N 0 1 224.304 2.304 20 0 BEADMN CC[C@H](O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000247807486 411390428 /nfs/dbraw/zinc/39/04/28/411390428.db2.gz TVIVOPPWNYTMBF-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CCC(C)(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161517811 168268122 /nfs/dbraw/zinc/26/81/22/168268122.db2.gz AOSGXUVTVKXIOX-SECBINFHSA-N 0 1 237.347 2.202 20 0 BEADMN CCC(C)(C)CNC(=O)c1cnccc1N(C)C ZINC000192225280 168281033 /nfs/dbraw/zinc/28/10/33/168281033.db2.gz KIPURODBLGHTGC-UHFFFAOYSA-N 0 1 249.358 2.314 20 0 BEADMN CCC(C)(C)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000336389889 168284927 /nfs/dbraw/zinc/28/49/27/168284927.db2.gz GPCJWWPBIYYWKD-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268140220 168294724 /nfs/dbraw/zinc/29/47/24/168294724.db2.gz IJDHZHPBINCPLZ-SECBINFHSA-N 0 1 235.331 2.134 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@H](C)[C@H]1C ZINC000339570439 168294814 /nfs/dbraw/zinc/29/48/14/168294814.db2.gz YEIIBGQCMFAZOQ-AXFHLTTASA-N 0 1 226.364 2.020 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1CC=C(C)CC1 ZINC000339629850 168295848 /nfs/dbraw/zinc/29/58/48/168295848.db2.gz UGUYDIBJJDTRDG-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN O=C([O-])CC[N@@H+](CCCF)Cc1ccccc1 ZINC000659790211 411455435 /nfs/dbraw/zinc/45/54/35/411455435.db2.gz NQNPOZNEPKHENU-UHFFFAOYSA-N 0 1 239.290 2.323 20 0 BEADMN CCC(C)(CC)NC(=O)CN1CCC(C)CC1 ZINC000353347912 168307024 /nfs/dbraw/zinc/30/70/24/168307024.db2.gz IDJHTSCGZDJQFY-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)OCC[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131285465 411455858 /nfs/dbraw/zinc/45/58/58/411455858.db2.gz TZLFDAGSFTYBIZ-UHFFFAOYSA-N 0 1 249.310 2.125 20 0 BEADMN CC(C)OCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131285465 411455859 /nfs/dbraw/zinc/45/58/59/411455859.db2.gz TZLFDAGSFTYBIZ-UHFFFAOYSA-N 0 1 249.310 2.125 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799541 411456484 /nfs/dbraw/zinc/45/64/84/411456484.db2.gz FBEZHSMZILREKU-GVXVVHGQSA-N 0 1 249.285 2.293 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000659799333 411456539 /nfs/dbraw/zinc/45/65/39/411456539.db2.gz ATCIZJHDMYIIJP-NXEZZACHSA-N 0 1 237.324 2.288 20 0 BEADMN Cc1ccnc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC000659795463 411456979 /nfs/dbraw/zinc/45/69/79/411456979.db2.gz PJVSQEAHVBRZKR-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)nc1 ZINC000659795421 411457086 /nfs/dbraw/zinc/45/70/86/411457086.db2.gz HXRJCOYIHXHQIR-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ccnc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC000659795464 411457201 /nfs/dbraw/zinc/45/72/01/411457201.db2.gz PJVSQEAHVBRZKR-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)oc1C(=O)[O-] ZINC000659799747 411457861 /nfs/dbraw/zinc/45/78/61/411457861.db2.gz HDVLCESLURFPLL-NXEZZACHSA-N 0 1 235.283 2.128 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659800404 411458014 /nfs/dbraw/zinc/45/80/14/411458014.db2.gz SEXRRRXYVSRESN-UTLUCORTSA-N 0 1 235.283 2.381 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000659800369 411458397 /nfs/dbraw/zinc/45/83/97/411458397.db2.gz RTVJBKVPEQZVJQ-RKDXNWHRSA-N 0 1 237.324 2.288 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802841 411459374 /nfs/dbraw/zinc/45/93/74/411459374.db2.gz XXLLDYCXSVCZTD-RYUDHWBXSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](CC(F)F)CN1CCO[C@@H](C)C1 ZINC000659811998 411460277 /nfs/dbraw/zinc/46/02/77/411460277.db2.gz MZLQHJHXZZAMRT-VHSXEESVSA-N 0 1 221.291 2.389 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCCN1C)C1CCCC1 ZINC000654424088 411392867 /nfs/dbraw/zinc/39/28/67/411392867.db2.gz BKKPHTYGBUYZHH-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C ZINC000118399148 411396183 /nfs/dbraw/zinc/39/61/83/411396183.db2.gz SGYHOXVRJMOSBJ-RXMQYKEDSA-N 0 1 242.200 2.463 20 0 BEADMN C[C@@H](C(=O)N(C)[C@@H](C)C(C)(C)C)N1CC(C)C1 ZINC000654453693 411399125 /nfs/dbraw/zinc/39/91/25/411399125.db2.gz DECJKTNKVQURFT-RYUDHWBXSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000653050116 411404725 /nfs/dbraw/zinc/40/47/25/411404725.db2.gz BLEFYJVOIMQLNX-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)N(C)C ZINC000654504605 411406014 /nfs/dbraw/zinc/40/60/14/411406014.db2.gz XRYPYZUOTBTOQS-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000405036999 411414540 /nfs/dbraw/zinc/41/45/40/411414540.db2.gz REHKHLUJGMQYDE-MNOVXSKESA-N 0 1 233.311 2.121 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000405037002 411414744 /nfs/dbraw/zinc/41/47/44/411414744.db2.gz REHKHLUJGMQYDE-QWRGUYRKSA-N 0 1 233.311 2.121 20 0 BEADMN C[C@@H](C(=O)NCC1(C2CCC2)CCC1)N(C)C ZINC000654593550 411415789 /nfs/dbraw/zinc/41/57/89/411415789.db2.gz LHSDAINZEJOMNL-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CC)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000265562074 411417007 /nfs/dbraw/zinc/41/70/07/411417007.db2.gz KHPBSZFXNHBARU-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN CN(CCO[C@@H]1CC1(F)F)Cc1ccco1 ZINC000659817303 411462465 /nfs/dbraw/zinc/46/24/65/411462465.db2.gz WUMBNPMCMZJQTK-SNVBAGLBSA-N 0 1 231.242 2.136 20 0 BEADMN CC(C)=CCCN1CCN(C(=O)C(C)C)CC1 ZINC000659817222 411462481 /nfs/dbraw/zinc/46/24/81/411462481.db2.gz ZMITVWFMYXHEOV-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN C[C@H]1CN(CCOCc2ccccc2)[C@@H](C)CO1 ZINC000659821418 411462534 /nfs/dbraw/zinc/46/25/34/411462534.db2.gz NMDDYCYCYJJFLY-KBPBESRZSA-N 0 1 249.354 2.312 20 0 BEADMN CCc1nnc(SCC2CC=CC2)[nH]1 ZINC000657239505 411427754 /nfs/dbraw/zinc/42/77/54/411427754.db2.gz OVNZWNYLGKDEAE-UHFFFAOYSA-N 0 1 209.318 2.425 20 0 BEADMN CCc1n[nH]c(SCC2CC=CC2)n1 ZINC000657239505 411427758 /nfs/dbraw/zinc/42/77/58/411427758.db2.gz OVNZWNYLGKDEAE-UHFFFAOYSA-N 0 1 209.318 2.425 20 0 BEADMN COC[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000271157319 411428534 /nfs/dbraw/zinc/42/85/34/411428534.db2.gz DLXWSUHWIUPKGJ-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN Cc1cc(C)nc(SCCc2c[nH]nn2)c1 ZINC000657258891 411432316 /nfs/dbraw/zinc/43/23/16/411432316.db2.gz XJERHZGCVZGMPH-UHFFFAOYSA-N 0 1 234.328 2.151 20 0 BEADMN Cc1ccc(C)c(Cn2ccnc2CN)c1 ZINC000060280975 411434330 /nfs/dbraw/zinc/43/43/30/411434330.db2.gz XPIVZGUQXKZIHY-UHFFFAOYSA-N 0 1 215.300 2.007 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000654707444 411434514 /nfs/dbraw/zinc/43/45/14/411434514.db2.gz POSRNPAWVQJCPE-RITPCOANSA-N 0 1 227.210 2.265 20 0 BEADMN c1n[nH]nc1SCCOCc1ccccc1 ZINC000657251741 411434888 /nfs/dbraw/zinc/43/48/88/411434888.db2.gz KWSVTFUFISHHHJ-UHFFFAOYSA-N 0 1 235.312 2.114 20 0 BEADMN C[C@](O)(CCNCc1cocn1)c1ccccc1 ZINC000277059514 411443486 /nfs/dbraw/zinc/44/34/86/411443486.db2.gz RGTIBBSMLRNSFG-AWEZNQCLSA-N 0 1 246.310 2.062 20 0 BEADMN CC(C)(C)OCCN[C@@H]1CCCn2ccnc21 ZINC000655741483 411445669 /nfs/dbraw/zinc/44/56/69/411445669.db2.gz IXMVFVYZTMSCCF-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000071026321 411451368 /nfs/dbraw/zinc/45/13/68/411451368.db2.gz TZZXAIKMFMIJPE-UHFFFAOYSA-N 0 1 211.286 2.041 20 0 BEADMN CC(C)=CCC[N@H+](CC(=O)[O-])CC1CC1 ZINC000659787778 411452820 /nfs/dbraw/zinc/45/28/20/411452820.db2.gz CMMXGZALXBBHKH-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000659786121 411453551 /nfs/dbraw/zinc/45/35/51/411453551.db2.gz LDNGMFUFMUKFKB-DTWKUNHWSA-N 0 1 237.290 2.320 20 0 BEADMN CC(C)=CCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000659785129 411453684 /nfs/dbraw/zinc/45/36/84/411453684.db2.gz HFQFVZSOYWTLIV-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC1CC=CC1 ZINC000659788786 411454231 /nfs/dbraw/zinc/45/42/31/411454231.db2.gz NEEHFZXOAPPGBN-AGIUHOORSA-N 0 1 235.327 2.138 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC2CC=CC2)C1 ZINC000659787766 411454428 /nfs/dbraw/zinc/45/44/28/411454428.db2.gz CHXBJLUDTJLNDC-AWEZNQCLSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000659788473 411454797 /nfs/dbraw/zinc/45/47/97/411454797.db2.gz IQXXJFJOWUFNFC-SKDRFNHKSA-N 0 1 249.301 2.464 20 0 BEADMN CCCC[C@H](COC)NCc1nc(C)c[nH]1 ZINC000657367211 411479283 /nfs/dbraw/zinc/47/92/83/411479283.db2.gz MQKNPGIPZABJTK-LLVKDONJSA-N 0 1 225.336 2.013 20 0 BEADMN CCCC[C@@H](COC)NCc1nc(C)c[nH]1 ZINC000657367214 411479365 /nfs/dbraw/zinc/47/93/65/411479365.db2.gz MQKNPGIPZABJTK-NSHDSACASA-N 0 1 225.336 2.013 20 0 BEADMN Cc1ccc(CN2CC(C(C)(C)O)C2)cc1F ZINC000297481337 411482445 /nfs/dbraw/zinc/48/24/45/411482445.db2.gz UHYYYUYFCZGKMZ-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1nc(C)c[nH]1)C1CC1 ZINC000657490580 411533387 /nfs/dbraw/zinc/53/33/87/411533387.db2.gz KYPQQCYNWMHSFZ-MFKMUULPSA-N 0 1 237.347 2.011 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CC12CC2 ZINC000657494636 411533663 /nfs/dbraw/zinc/53/36/63/411533663.db2.gz CMWUKJXHMSXHMG-SNVBAGLBSA-N 0 1 205.305 2.106 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1nc(C)c[nH]1)C1CC1 ZINC000657490578 411533814 /nfs/dbraw/zinc/53/38/14/411533814.db2.gz KYPQQCYNWMHSFZ-GWCFXTLKSA-N 0 1 237.347 2.011 20 0 BEADMN COc1cc(CN2[C@@H](C)CCC[C@@H]2C)on1 ZINC000659912723 411495523 /nfs/dbraw/zinc/49/55/23/411495523.db2.gz XNYNEHQWTYNFJG-UWVGGRQHSA-N 0 1 224.304 2.446 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCCO2)[nH]c1C ZINC000657427753 411504002 /nfs/dbraw/zinc/50/40/02/411504002.db2.gz FTGOMKDRWCESDU-NWDGAFQWSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCCCS2)n1 ZINC000657432125 411506020 /nfs/dbraw/zinc/50/60/20/411506020.db2.gz OKRHNKPAPRENMB-JTQLQIEISA-N 0 1 225.361 2.093 20 0 BEADMN CO[C@@H](CNCc1nc(C)c(C)[nH]1)CC(C)C ZINC000657493349 411534605 /nfs/dbraw/zinc/53/46/05/411534605.db2.gz BVQARLIURCBTRX-GFCCVEGCSA-N 0 1 239.363 2.177 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CC2(CCC2)C1 ZINC000655166587 411508742 /nfs/dbraw/zinc/50/87/42/411508742.db2.gz FEBMIARDFOFSBG-SNVBAGLBSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CC2(CCC2)C1 ZINC000655166586 411508930 /nfs/dbraw/zinc/50/89/30/411508930.db2.gz FEBMIARDFOFSBG-JTQLQIEISA-N 0 1 247.342 2.037 20 0 BEADMN COc1cccc(CN(C)C[C@@H](C)O)c1Cl ZINC000659953716 411509374 /nfs/dbraw/zinc/50/93/74/411509374.db2.gz SUTDYAQTPUKQLX-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN Cn1cnc(CN2C3CCCC2CCC3)c1 ZINC000659957622 411512008 /nfs/dbraw/zinc/51/20/08/411512008.db2.gz WIBICBIOZDQVEB-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN CO[C@@H](C)CNCc1ccc(F)c(F)c1F ZINC000657447219 411513980 /nfs/dbraw/zinc/51/39/80/411513980.db2.gz RMEQCYPNBLEGQJ-ZETCQYMHSA-N 0 1 233.233 2.228 20 0 BEADMN CCc1nc([C@@H](C)N2CCC(C)(C)C2)n[nH]1 ZINC000659974912 411514489 /nfs/dbraw/zinc/51/44/89/411514489.db2.gz LBRQYXXGUMKZGW-SECBINFHSA-N 0 1 222.336 2.160 20 0 BEADMN C[C@@H](COCC1CC1)N[C@@H]1CCCn2ccnc21 ZINC000655792534 411516498 /nfs/dbraw/zinc/51/64/98/411516498.db2.gz KRKKEPCIZRYTKA-WCQYABFASA-N 0 1 249.358 2.123 20 0 BEADMN CCOC[C@H]1CCN(Cc2nc(C)oc2C)C1 ZINC000659982762 411517760 /nfs/dbraw/zinc/51/77/60/411517760.db2.gz WGMYKHUNXGZRAK-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN Cc1c[nH]c(CNCC(C)(C)C(F)(F)F)n1 ZINC000657462263 411518628 /nfs/dbraw/zinc/51/86/28/411518628.db2.gz RMFOWBOFQFABHE-UHFFFAOYSA-N 0 1 235.253 2.396 20 0 BEADMN COCc1csc(CN[C@H](C)CF)c1 ZINC000657467198 411520648 /nfs/dbraw/zinc/52/06/48/411520648.db2.gz YAQNZIGYNDKLGB-MRVPVSSYSA-N 0 1 217.309 2.342 20 0 BEADMN COCc1cnc(CNC2(C)CC=CC2)s1 ZINC000655813833 411523731 /nfs/dbraw/zinc/52/37/31/411523731.db2.gz CBJKUTYMZXEPNQ-UHFFFAOYSA-N 0 1 238.356 2.488 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H](C)c2nccn2CC)CO1 ZINC000657483878 411529125 /nfs/dbraw/zinc/52/91/25/411529125.db2.gz VOCWFHXNMKODPX-GRYCIOLGSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CC1(C)C ZINC000657326811 411466044 /nfs/dbraw/zinc/46/60/44/411466044.db2.gz QNLWZEBHMVALGA-JTQLQIEISA-N 0 1 207.321 2.352 20 0 BEADMN Cc1occc1CNCc1cnn2c1CCC2 ZINC000657327446 411466524 /nfs/dbraw/zinc/46/65/24/411466524.db2.gz WQKOGHHLSHVXIS-UHFFFAOYSA-N 0 1 231.299 2.021 20 0 BEADMN c1c(CNC2CC3(CCC3)C2)nnn1C1CCC1 ZINC000657503165 411539292 /nfs/dbraw/zinc/53/92/92/411539292.db2.gz COMKJDSTQHMLNR-UHFFFAOYSA-N 0 1 246.358 2.425 20 0 BEADMN CCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000298873600 170055871 /nfs/dbraw/zinc/05/58/71/170055871.db2.gz ZGXZPUXTPOIPQN-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN CCNC(=O)CN1CCC(C2CCCC2)CC1 ZINC000377921435 170059153 /nfs/dbraw/zinc/05/91/53/170059153.db2.gz XAHDGHWYTVJQCO-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@H](CN(C)Cc1cn[nH]c1)C1CCCC1 ZINC000660093382 411536648 /nfs/dbraw/zinc/53/66/48/411536648.db2.gz YJUKZXRICOSPGK-CYBMUJFWSA-N 0 1 237.347 2.047 20 0 BEADMN CCNC(=O)[C@H](C)N[C@@H](C)c1csc(C)c1 ZINC000294109743 170095335 /nfs/dbraw/zinc/09/53/35/170095335.db2.gz CRNGMFQZZWWBBO-UWVGGRQHSA-N 0 1 240.372 2.232 20 0 BEADMN CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)oc1C ZINC000036795355 170096238 /nfs/dbraw/zinc/09/62/38/170096238.db2.gz PEEZBCGWYCQJQG-ZJUUUORDSA-N 0 1 238.331 2.072 20 0 BEADMN C[C@@H](NCc1noc2ccccc21)[C@@H]1CCCO1 ZINC000655854767 411537662 /nfs/dbraw/zinc/53/76/62/411537662.db2.gz XPCUHIMESRWYGC-MFKMUULPSA-N 0 1 246.310 2.485 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1noc2ccccc12 ZINC000655854730 411538075 /nfs/dbraw/zinc/53/80/75/411538075.db2.gz TYGQOCWFBSAUFE-UWVGGRQHSA-N 0 1 234.299 2.341 20 0 BEADMN COC[C@@H](NCc1cc(C2CC2)no1)C1CC1 ZINC000660211258 411553995 /nfs/dbraw/zinc/55/39/95/411553995.db2.gz IQAZKDPWTJZPOT-CYBMUJFWSA-N 0 1 236.315 2.067 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1F ZINC000660221673 411555657 /nfs/dbraw/zinc/55/56/57/411555657.db2.gz QILBEPWDUOSXAE-MFKMUULPSA-N 0 1 222.307 2.449 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@H](C)[C@@H](F)C2)n[nH]1 ZINC000660221519 411556185 /nfs/dbraw/zinc/55/61/85/411556185.db2.gz QEFSVRCEILNLMY-GUBZILKMSA-N 0 1 240.326 2.108 20 0 BEADMN C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1F ZINC000660221672 411556258 /nfs/dbraw/zinc/55/62/58/411556258.db2.gz QILBEPWDUOSXAE-GXFFZTMASA-N 0 1 222.307 2.449 20 0 BEADMN CCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000036917015 170159786 /nfs/dbraw/zinc/15/97/86/170159786.db2.gz GNIVLQIHUUPWLV-SNVBAGLBSA-N 0 1 230.315 2.246 20 0 BEADMN C[C@H](CNCc1cscn1)c1ccccn1 ZINC000657534330 411545631 /nfs/dbraw/zinc/54/56/31/411545631.db2.gz WVOYNLDWTLBMHN-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN CCOC(=O)CCN1CCc2ccsc2C1 ZINC000132746442 170207295 /nfs/dbraw/zinc/20/72/95/170207295.db2.gz JSIDIMGVRAOQID-UHFFFAOYSA-N 0 1 239.340 2.059 20 0 BEADMN c1coc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000657629857 411566466 /nfs/dbraw/zinc/56/64/66/411566466.db2.gz MSMZMIRLVBFIRW-SNVBAGLBSA-N 0 1 207.273 2.081 20 0 BEADMN Cc1cnc(CN[C@H]2COC3(CCC3)C2)s1 ZINC000657630705 411566895 /nfs/dbraw/zinc/56/68/95/411566895.db2.gz MMFSDXRWGYLBRE-SNVBAGLBSA-N 0 1 238.356 2.253 20 0 BEADMN Cc1csc(CN[C@H]2COC3(CCC3)C2)n1 ZINC000657630953 411566927 /nfs/dbraw/zinc/56/69/27/411566927.db2.gz SHPDKPYPGODHFG-SNVBAGLBSA-N 0 1 238.356 2.253 20 0 BEADMN CCN(CCCC1CCC1)Cc1cn(C)nn1 ZINC000660238814 411557683 /nfs/dbraw/zinc/55/76/83/411557683.db2.gz OLOOTQPIKBWIDT-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN CO[C@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC000660244083 411558401 /nfs/dbraw/zinc/55/84/01/411558401.db2.gz CQHKVBUNYHXJQB-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC2(CCC2)C1 ZINC000123622324 170249474 /nfs/dbraw/zinc/24/94/74/170249474.db2.gz UNONSUQRJLJCLW-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1cccc(F)c1CNC/C=C/CO ZINC000657593858 411559775 /nfs/dbraw/zinc/55/97/75/411559775.db2.gz LUBAUUPRICCKKL-ONEGZZNKSA-N 0 1 223.291 2.026 20 0 BEADMN CCOC(=O)[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000000240227 170258672 /nfs/dbraw/zinc/25/86/72/170258672.db2.gz LQHSJPSHZLJNSZ-GFCCVEGCSA-N 0 1 237.299 2.055 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(CC)CC1 ZINC000043638700 170266662 /nfs/dbraw/zinc/26/66/62/170266662.db2.gz PMDBSPJLQILJAH-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1C[C@H](C)[C@H]1C ZINC000339571821 170270296 /nfs/dbraw/zinc/27/02/96/170270296.db2.gz NZEAHWWFPDKERI-TUAOUCFPSA-N 0 1 227.348 2.304 20 0 BEADMN CCOC(=O)[C@H](CC)N(CC1CC1)C1CC1 ZINC000082761140 170271513 /nfs/dbraw/zinc/27/15/13/170271513.db2.gz DGDMUOMMRYWYCA-LBPRGKRZSA-N 0 1 225.332 2.203 20 0 BEADMN CCO[C@H]1C[C@H](NCc2csc(CC)n2)C1 ZINC000657609461 411562701 /nfs/dbraw/zinc/56/27/01/411562701.db2.gz DOSNBMDTUUSLBD-HOMQSWHASA-N 0 1 240.372 2.363 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ncc(C)s2)C1 ZINC000657610831 411563451 /nfs/dbraw/zinc/56/34/51/411563451.db2.gz GESQVGDFSCVJQQ-MGCOHNPYSA-N 0 1 226.345 2.109 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CCc1ccccc1 ZINC000050064147 170281207 /nfs/dbraw/zinc/28/12/07/170281207.db2.gz HNBUETMJYUQULC-CQSZACIVSA-N 0 1 247.338 2.257 20 0 BEADMN CCOC(=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000071009240 170307878 /nfs/dbraw/zinc/30/78/78/170307878.db2.gz YOSDDOJQQIPOAS-UHFFFAOYSA-N 0 1 224.647 2.393 20 0 BEADMN Cc1nc(CN([C@@H](C)CO)C2CCCC2)co1 ZINC000660366542 411572725 /nfs/dbraw/zinc/57/27/25/411572725.db2.gz VMMGBVDIWYNARF-JTQLQIEISA-N 0 1 238.331 2.108 20 0 BEADMN CCOC(C)(C)CNCc1cc(F)ncc1F ZINC000296689465 170312520 /nfs/dbraw/zinc/31/25/20/170312520.db2.gz HJRPMDUQMXVALG-UHFFFAOYSA-N 0 1 244.285 2.265 20 0 BEADMN CCOC(C)(C)CNCc1nc(C)cs1 ZINC000159181342 170313257 /nfs/dbraw/zinc/31/32/57/170313257.db2.gz MNFPUJZGXUEENY-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CCOCC(C)(C)NCc1nccs1 ZINC000339371392 170356017 /nfs/dbraw/zinc/35/60/17/170356017.db2.gz IIYZBBIQUSNWOU-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN CCOCC(C)(C)NCc1ncc(C)s1 ZINC000339377775 170356293 /nfs/dbraw/zinc/35/62/93/170356293.db2.gz MKBXVVFGQPNIGT-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CCOCCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000360414276 170362796 /nfs/dbraw/zinc/36/27/96/170362796.db2.gz PLCFZUJKKQVLKD-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CCOCCCN[C@H](C)c1cc(C)on1 ZINC000282825785 170382558 /nfs/dbraw/zinc/38/25/58/170382558.db2.gz RZQOZDKQHDXODO-SNVBAGLBSA-N 0 1 212.293 2.060 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])co1)C[C@H]1CC1(C)C ZINC000663316097 411623217 /nfs/dbraw/zinc/62/32/17/411623217.db2.gz BARWQTUGYGDXAX-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000663317108 411623344 /nfs/dbraw/zinc/62/33/44/411623344.db2.gz KZVQLQIGXZKLNO-LLVKDONJSA-N 0 1 248.326 2.258 20 0 BEADMN CC(C)c1cccc(CNCC(=O)NC2CC2)c1 ZINC000663315462 411623383 /nfs/dbraw/zinc/62/33/83/411623383.db2.gz WMBSNLHNZQONJJ-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@@H](C(=O)[O-])c1ccccc1 ZINC000663315707 411623435 /nfs/dbraw/zinc/62/34/35/411623435.db2.gz MXYWTTMDCCMKMI-KSGYAGIASA-N 0 1 231.295 2.297 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C(=O)[O-])C1 ZINC000663318914 411624327 /nfs/dbraw/zinc/62/43/27/411624327.db2.gz ZDDNIGYGEFJFMT-UJPOAAIJSA-N 0 1 237.343 2.218 20 0 BEADMN Cc1[nH]ncc1CNc1ccc2c(c1)CCOC2 ZINC000657679606 411580881 /nfs/dbraw/zinc/58/08/81/411580881.db2.gz HYUDAXSUEKKWMX-UHFFFAOYSA-N 0 1 243.310 2.403 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCOC[C@H]1C ZINC000660422602 411582703 /nfs/dbraw/zinc/58/27/03/411582703.db2.gz GIGFFUJRBNNZDX-ZJUUUORDSA-N 0 1 221.291 2.389 20 0 BEADMN Cc1nc(CN2CCC[C@](C)(O)CC2)c(C)o1 ZINC000660444548 411586143 /nfs/dbraw/zinc/58/61/43/411586143.db2.gz SHRKGUVFLGMYIJ-ZDUSSCGKSA-N 0 1 238.331 2.028 20 0 BEADMN CCOC[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275100266 170443858 /nfs/dbraw/zinc/44/38/58/170443858.db2.gz CDZMIAVIQAOMKR-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nc(C)oc1C ZINC000660478879 411591160 /nfs/dbraw/zinc/59/11/60/411591160.db2.gz PLKYZNPRJIJXGH-AAEUAGOBSA-N 0 1 238.331 2.339 20 0 BEADMN CC(C)(C)n1cc(CNCC2=CCCC2)nn1 ZINC000657749960 411593319 /nfs/dbraw/zinc/59/33/19/411593319.db2.gz VOJCWDIBEKHBPU-UHFFFAOYSA-N 0 1 234.347 2.233 20 0 BEADMN CO[C@H](CNCc1nccs1)C1CCCC1 ZINC000657768177 411593499 /nfs/dbraw/zinc/59/34/99/411593499.db2.gz XBHUSHJZWYNTCE-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN CO[C@H](CNCc1nc(C)c[nH]1)C1CCCC1 ZINC000657768699 411593548 /nfs/dbraw/zinc/59/35/48/411593548.db2.gz OBBFLTJKXOKMIS-GFCCVEGCSA-N 0 1 237.347 2.013 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(F)cc1F ZINC000657788661 411596122 /nfs/dbraw/zinc/59/61/22/411596122.db2.gz LAIMBRCZDCPIKQ-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@H]2C)c(C)o1 ZINC000660538234 411597514 /nfs/dbraw/zinc/59/75/14/411597514.db2.gz NZCUCRAIBRKULP-RDDDGLTNSA-N 0 1 226.345 2.133 20 0 BEADMN O[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC000657809655 411601528 /nfs/dbraw/zinc/60/15/28/411601528.db2.gz NBTNALHMBUINOT-KYZUINATSA-N 0 1 229.682 2.092 20 0 BEADMN Cc1nc(CN2CC[C@@H](c3ccncc3)C2)co1 ZINC000660575381 411602239 /nfs/dbraw/zinc/60/22/39/411602239.db2.gz SWSYLYRYVNMXML-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[C@H](O)C2)o1 ZINC000657809863 411602326 /nfs/dbraw/zinc/60/23/26/411602326.db2.gz PSILAZRLLIHIMV-QFOLPQNPSA-N 0 1 221.300 2.016 20 0 BEADMN CCN(Cc1cc(OC)ns1)C[C@@H](C)OC ZINC000660597486 411606063 /nfs/dbraw/zinc/60/60/63/411606063.db2.gz PSUAVMHGZRVHSQ-SECBINFHSA-N 0 1 244.360 2.009 20 0 BEADMN Cc1ncsc1CN[C@H]1CCCn2nccc21 ZINC000657871886 411613779 /nfs/dbraw/zinc/61/37/79/411613779.db2.gz DEJRWIKBPPCLMP-JTQLQIEISA-N 0 1 248.355 2.273 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2coc(C)n2)C1(C)C ZINC000660702612 411618091 /nfs/dbraw/zinc/61/80/91/411618091.db2.gz ZJJURKJVNDZLPP-JFUSQASVSA-N 0 1 238.331 2.132 20 0 BEADMN CC[C@H](C)C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660746525 411620647 /nfs/dbraw/zinc/62/06/47/411620647.db2.gz CGZHIANVUPGAQV-VIFPVBQESA-N 0 1 237.347 2.361 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000663314878 411622467 /nfs/dbraw/zinc/62/24/67/411622467.db2.gz BRICSTJSCAREEI-PEUVISTOSA-N 0 1 249.285 2.436 20 0 BEADMN Cc1cc(CNc2cc(C(C)(C)C)ncn2)n[nH]1 ZINC000663603832 411709020 /nfs/dbraw/zinc/70/90/20/411709020.db2.gz CDFIENBSGFHUNR-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN COCC1(N(C)Cc2ccc(C)cn2)CC1 ZINC000663452748 411661518 /nfs/dbraw/zinc/66/15/18/411661518.db2.gz JJARMADPGGPOPS-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H](NCCOCCF)c1ccc(Cl)cn1 ZINC000663460315 411662965 /nfs/dbraw/zinc/66/29/65/411662965.db2.gz MLAQNXYGVQGNPE-VIFPVBQESA-N 0 1 246.713 2.372 20 0 BEADMN c1c(CN2CC[C@@H]3OCC[C@@H]3C2)onc1C1CC1 ZINC000660902027 411665667 /nfs/dbraw/zinc/66/56/67/411665667.db2.gz QBEQQZNNKSEZNH-RISCZKNCSA-N 0 1 248.326 2.163 20 0 BEADMN CC(C)c1nnc(CNCC[C@@H](C)F)s1 ZINC000894623131 583495989 /nfs/dbraw/zinc/49/59/89/583495989.db2.gz DXOQPXBXWHQLFK-MRVPVSSYSA-N 0 1 231.340 2.499 20 0 BEADMN CCCCCNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660928187 411679277 /nfs/dbraw/zinc/67/92/77/411679277.db2.gz KUGZQVSIKYGCBK-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCNC(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000660928187 411679279 /nfs/dbraw/zinc/67/92/79/411679279.db2.gz KUGZQVSIKYGCBK-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)CNC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927715 411680047 /nfs/dbraw/zinc/68/00/47/411680047.db2.gz FZKGSIFFJORLSQ-AGIUHOORSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nccc(CN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660931861 411681522 /nfs/dbraw/zinc/68/15/22/411681522.db2.gz RFNCEUHTDLZLLT-AAEUAGOBSA-N 0 1 217.316 2.159 20 0 BEADMN COc1cccc(CN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930578 411681747 /nfs/dbraw/zinc/68/17/47/411681747.db2.gz NFXNRXUUVSRFNH-AAEUAGOBSA-N 0 1 232.327 2.465 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660934624 411684097 /nfs/dbraw/zinc/68/40/97/411684097.db2.gz UCQCQNRHXXGNSI-QWRGUYRKSA-N 0 1 248.374 2.477 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc(Cl)cn1 ZINC000661088447 411699986 /nfs/dbraw/zinc/69/99/86/411699986.db2.gz IFJCYXJDAJCLIV-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN Cn1ncnc1CN1CCCC2(CCCC2)CC1 ZINC000661229238 411735970 /nfs/dbraw/zinc/73/59/70/411735970.db2.gz BYAIQRCJHDIEMB-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CC(C)c1ccc(CN(C)C2CC2)c(O)c(=O)c1 ZINC000663824562 411755802 /nfs/dbraw/zinc/75/58/02/411755802.db2.gz DIOQFJAMKLAASG-UHFFFAOYSA-N 0 1 247.338 2.470 20 0 BEADMN c1cc(CN2CCC(C3CCC3)CC2)n[nH]1 ZINC000661374490 411758630 /nfs/dbraw/zinc/75/86/30/411758630.db2.gz LXAFONWEPUVBGB-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H](NCCc1cncs1)c1cscn1 ZINC000661414144 411770569 /nfs/dbraw/zinc/77/05/69/411770569.db2.gz KNSARPBBJJWDDV-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN C[C@@H](CO)[C@@H]1CCCCN1Cc1nccs1 ZINC000661440511 411778486 /nfs/dbraw/zinc/77/84/86/411778486.db2.gz DJXKTZXTASPINP-QWRGUYRKSA-N 0 1 240.372 2.126 20 0 BEADMN CCCCOCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661467490 411782181 /nfs/dbraw/zinc/78/21/81/411782181.db2.gz RPZPFUXJUJFAIH-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN CCCCOCCN1CC2(CCC2)OC[C@H]1C ZINC000661467490 411782182 /nfs/dbraw/zinc/78/21/82/411782182.db2.gz RPZPFUXJUJFAIH-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN C[C@H]1COC2(CCC2)C[N@H+]1CC[C@@H]1CCCO1 ZINC000661469591 411782286 /nfs/dbraw/zinc/78/22/86/411782286.db2.gz NTFKUTVCYVOZGI-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN C[C@@H]1CCC[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC000661745018 411864427 /nfs/dbraw/zinc/86/44/27/411864427.db2.gz NOXUVXUDFSHIOX-NEPJUHHUSA-N 0 1 236.363 2.073 20 0 BEADMN CC/C=C\CCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545475 411799155 /nfs/dbraw/zinc/79/91/55/411799155.db2.gz ZJYMXLPCGQONMN-GKKDLHFNSA-N 0 1 209.333 2.500 20 0 BEADMN Cn1cc(CN2CC[C@@H](C3CCCCC3)C2)nn1 ZINC000661577782 411808286 /nfs/dbraw/zinc/80/82/86/411808286.db2.gz FRBUDUBNKOWJJK-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN C[C@H]1CCCC[C@H]1COCCc1c[nH]nn1 ZINC000664046930 411827335 /nfs/dbraw/zinc/82/73/35/411827335.db2.gz SYSQPGPIEUAJNE-QWRGUYRKSA-N 0 1 223.320 2.190 20 0 BEADMN Cc1ccc(CN(C)CC2=CCCOC2)cn1 ZINC000661652084 411828110 /nfs/dbraw/zinc/82/81/10/411828110.db2.gz ITXVYWIUBAYABW-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1nc2c(n1CCc1cncn1C)CCCC2 ZINC000664047984 411829097 /nfs/dbraw/zinc/82/90/97/411829097.db2.gz AGWDZEMUHMLCDS-UHFFFAOYSA-N 0 1 244.342 2.047 20 0 BEADMN Cc1nc([C@@H](C)N2CCC[C@@H](CCF)C2)n[nH]1 ZINC000661690431 411840979 /nfs/dbraw/zinc/84/09/79/411840979.db2.gz QIUURMVNJCAIJW-KOLCDFICSA-N 0 1 240.326 2.246 20 0 BEADMN C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000661707359 411851665 /nfs/dbraw/zinc/85/16/65/411851665.db2.gz KMDANRBKESVEFN-BXUZGUMPSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@@]12COC[C@H]1CN(Cc1cc(C3CC3)no1)C2 ZINC000661707359 411851669 /nfs/dbraw/zinc/85/16/69/411851669.db2.gz KMDANRBKESVEFN-BXUZGUMPSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661708099 411851747 /nfs/dbraw/zinc/85/17/47/411851747.db2.gz WTFNUMWANWONOA-MBNYWOFBSA-N 0 1 232.327 2.111 20 0 BEADMN COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H](C)O)C2)c1 ZINC000661712390 411853414 /nfs/dbraw/zinc/85/34/14/411853414.db2.gz QHTQORBHZUZALY-DOMZBBRYSA-N 0 1 249.354 2.039 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](Cc1ccccc1Cl)CC2 ZINC000661712787 411853918 /nfs/dbraw/zinc/85/39/18/411853918.db2.gz XOMVQPZTFFTEOL-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1ccccc1Cl)CC2 ZINC000661712787 411853924 /nfs/dbraw/zinc/85/39/24/411853924.db2.gz XOMVQPZTFFTEOL-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN Cc1nnc(NC[C@@H]2CCN2C(C)(C)C)s1 ZINC000664143345 411863490 /nfs/dbraw/zinc/86/34/90/411863490.db2.gz WBPPQDQVWSZNPK-VIFPVBQESA-N 0 1 240.376 2.131 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2cscn2)C[C@H](C)O1 ZINC000661852688 411902391 /nfs/dbraw/zinc/90/23/91/411902391.db2.gz CRVOBTYFRDZJQN-MNOVXSKESA-N 0 1 240.372 2.185 20 0 BEADMN Cc1ccnc(N(C)CC2CN(C)C2)c1Cl ZINC000664332562 411924129 /nfs/dbraw/zinc/92/41/29/411924129.db2.gz XHKWUSOXOLCSKN-UHFFFAOYSA-N 0 1 239.750 2.041 20 0 BEADMN Cc1cccc(NC(=O)CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661974891 411931042 /nfs/dbraw/zinc/93/10/42/411931042.db2.gz QDHYUDFNAIRFRB-CHWSQXEVSA-N 0 1 244.338 2.275 20 0 BEADMN C(c1noc2c1CCCC2)N1CC[C@@H]2C[C@@H]2C1 ZINC000661976569 411932038 /nfs/dbraw/zinc/93/20/38/411932038.db2.gz VHYVZTDKSCIOOY-GHMZBOCLSA-N 0 1 232.327 2.395 20 0 BEADMN Cc1noc(CN[C@@H](C)C2CCC(F)CC2)n1 ZINC000661999129 411938910 /nfs/dbraw/zinc/93/89/10/411938910.db2.gz RIRCEPQADLUWQO-PUSIOWJLSA-N 0 1 241.310 2.384 20 0 BEADMN CCN(CC(=O)N1[C@H](C)CCC1(C)C)C1CC1 ZINC000662020849 411943744 /nfs/dbraw/zinc/94/37/44/411943744.db2.gz FRBAFYFTXBRJPD-LLVKDONJSA-N 0 1 238.375 2.260 20 0 BEADMN CC[C@H](NCc1nnc(C(C)C)o1)C1CC1 ZINC000661757485 411869918 /nfs/dbraw/zinc/86/99/18/411869918.db2.gz FDRYJYASIVNTNC-JTQLQIEISA-N 0 1 223.320 2.471 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(F)cc1F ZINC000661766437 411878785 /nfs/dbraw/zinc/87/87/85/411878785.db2.gz YKDYECOYWVLWMG-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000661771192 411881610 /nfs/dbraw/zinc/88/16/10/411881610.db2.gz IWCPVMOBGBUWCE-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000661774467 411884221 /nfs/dbraw/zinc/88/42/21/411884221.db2.gz YGNMZTUGCDIFFV-JOYOIKCWSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000661774467 411884224 /nfs/dbraw/zinc/88/42/24/411884224.db2.gz YGNMZTUGCDIFFV-JOYOIKCWSA-N 0 1 241.281 2.310 20 0 BEADMN c1cc(C2CCN(Cc3ccncc3)CC2)no1 ZINC000662046603 411964274 /nfs/dbraw/zinc/96/42/74/411964274.db2.gz JVPPDUQVHARRCI-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN C[C@H](c1nncn1C)N(CCC1CC1)CC1CC1 ZINC000662178037 412019317 /nfs/dbraw/zinc/01/93/17/412019317.db2.gz QAILRZZNTPOZDS-LLVKDONJSA-N 0 1 248.374 2.388 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(c2ncnc3[nH]cnc32)C1 ZINC000664468921 411968038 /nfs/dbraw/zinc/96/80/38/411968038.db2.gz FCZXWOQSQQCBLZ-NXEZZACHSA-N 0 1 245.330 2.368 20 0 BEADMN CC(C)CC1(NCc2ncccn2)CC1 ZINC000662067373 411969119 /nfs/dbraw/zinc/96/91/19/411969119.db2.gz XNPAFUXGMRMMAZ-UHFFFAOYSA-N 0 1 205.305 2.145 20 0 BEADMN COc1cc(CNC2(CC(C)C)CC2)on1 ZINC000662067370 411969591 /nfs/dbraw/zinc/96/95/91/411969591.db2.gz XLAKDEUKDYLBFW-UHFFFAOYSA-N 0 1 224.304 2.352 20 0 BEADMN CC/C=C/CCN1CCc2nccnc2C1 ZINC000662120586 411991875 /nfs/dbraw/zinc/99/18/75/411991875.db2.gz GEURBAKCWSDDCW-ONEGZZNKSA-N 0 1 217.316 2.191 20 0 BEADMN Cn1ccnc1CN1CCC[C@H](C2CCC2)C1 ZINC000662044224 411961051 /nfs/dbraw/zinc/96/10/51/411961051.db2.gz NGXOSZMBYZKYCS-ZDUSSCGKSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCC2)C[C@H]1C(=O)[O-] ZINC000662212335 412025635 /nfs/dbraw/zinc/02/56/35/412025635.db2.gz OOGNAKODZWFYFJ-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C)CN(CCCCO)[C@@H]1c1ccncc1 ZINC000664834831 412029206 /nfs/dbraw/zinc/02/92/06/412029206.db2.gz WHIPVHMDIOZTBL-CYBMUJFWSA-N 0 1 234.343 2.237 20 0 BEADMN CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@H](C)C(=O)[O-] ZINC000662216535 412029301 /nfs/dbraw/zinc/02/93/01/412029301.db2.gz PHFHTJGEWOLCHB-LLVKDONJSA-N 0 1 247.338 2.470 20 0 BEADMN CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)[O-] ZINC000662216520 412029499 /nfs/dbraw/zinc/02/94/99/412029499.db2.gz PNPBYFQWZVDEIH-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)=CCC[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000662215806 412029545 /nfs/dbraw/zinc/02/95/45/412029545.db2.gz PAILQVZNKWBFBT-NWDGAFQWSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](Cc1cccc(F)c1F)[C@H](C)C(=O)[O-] ZINC000662218183 412030087 /nfs/dbraw/zinc/03/00/87/412030087.db2.gz WLOYNAFIFREFEY-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1cccc(C(=O)[O-])c1 ZINC000662238451 412034729 /nfs/dbraw/zinc/03/47/29/412034729.db2.gz UHAQAOITZOTFNY-UHFFFAOYSA-N 0 1 231.295 2.369 20 0 BEADMN Cc1nc(C)c(CN(C)CC2=CCSC2)o1 ZINC000662263285 412053545 /nfs/dbraw/zinc/05/35/45/412053545.db2.gz ITTPRCJSMVPNGF-UHFFFAOYSA-N 0 1 238.356 2.396 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc(C)c1C ZINC000268361544 171000886 /nfs/dbraw/zinc/00/08/86/171000886.db2.gz KMVCJDXTWNUZNP-GHMZBOCLSA-N 0 1 235.331 2.335 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H](N)c2ccc(C)cc2)C1 ZINC000228090144 171006419 /nfs/dbraw/zinc/00/64/19/171006419.db2.gz PXUPMNZULVMUHQ-TZMCWYRMSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nnc(C)o2)C1 ZINC000125680317 171013621 /nfs/dbraw/zinc/01/36/21/171013621.db2.gz OXBBLNJLACMUHV-WCBMZHEXSA-N 0 1 209.293 2.171 20 0 BEADMN CC[C@@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000292520122 171022086 /nfs/dbraw/zinc/02/20/86/171022086.db2.gz WFCSJALEYCDLLO-ZWNOBZJWSA-N 0 1 241.281 2.483 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1[nH]nc2ccccc21 ZINC000294138947 171023200 /nfs/dbraw/zinc/02/32/00/171023200.db2.gz UMSAUAIWEMGCGZ-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(OC)cc(C)n1 ZINC000292493901 171023496 /nfs/dbraw/zinc/02/34/96/171023496.db2.gz TYUSRGOENZVXHD-GFCCVEGCSA-N 0 1 220.316 2.383 20 0 BEADMN CC[C@@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000292520120 171023908 /nfs/dbraw/zinc/02/39/08/171023908.db2.gz WFCSJALEYCDLLO-MFKMUULPSA-N 0 1 241.281 2.483 20 0 BEADMN CC[C@@H]1CCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000292762909 171023964 /nfs/dbraw/zinc/02/39/64/171023964.db2.gz JQCPUEMALRWQAI-LLVKDONJSA-N 0 1 249.310 2.408 20 0 BEADMN CC[C@@H]1CN(CCOC(C)(C)C)C[C@H](C)O1 ZINC000111276139 171081314 /nfs/dbraw/zinc/08/13/14/171081314.db2.gz OGEGSWHDRIWVCG-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)ncn2)CCS1 ZINC000292591675 171088447 /nfs/dbraw/zinc/08/84/47/171088447.db2.gz VDFXKSJBJBCFQU-GFCCVEGCSA-N 0 1 237.372 2.112 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(CO)cc2)C[C@@H](C)O1 ZINC000272303203 171089543 /nfs/dbraw/zinc/08/95/43/171089543.db2.gz JEFNQAOUZJFRTI-IUODEOHRSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@H]1CN(Cc2nc3ccccc3o2)C[C@H]1O ZINC000336332765 171091714 /nfs/dbraw/zinc/09/17/14/171091714.db2.gz PSPXWXKKFDJBQE-ZYHUDNBSSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H]1CCC(C)(C)O1 ZINC000359838704 171110526 /nfs/dbraw/zinc/11/05/26/171110526.db2.gz FHAFLDQHHGWVCX-XQQFMLRXSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1ccncc1 ZINC000298283368 171111960 /nfs/dbraw/zinc/11/19/60/171111960.db2.gz OFQIVBMFALTBGN-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1nc([C@@H](C)N2CCNc3ccccc32)n[nH]1 ZINC000662273979 412065241 /nfs/dbraw/zinc/06/52/41/412065241.db2.gz QSOFZHXNNQVJFW-SECBINFHSA-N 0 1 243.314 2.106 20 0 BEADMN CC[C@@H]1C[C@H](CN(C)Cc2ccon2)CCO1 ZINC000356997518 171128965 /nfs/dbraw/zinc/12/89/65/171128965.db2.gz RQIKDZPIQOPPKE-DGCLKSJQSA-N 0 1 238.331 2.312 20 0 BEADMN CC[C@@](C)(CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293536585 171171009 /nfs/dbraw/zinc/17/10/09/171171009.db2.gz JVUFHLLGGRQLEG-LBPRGKRZSA-N 0 1 243.734 2.296 20 0 BEADMN CN(CC1=CCSC1)Cc1ccccn1 ZINC000662268501 412060794 /nfs/dbraw/zinc/06/07/94/412060794.db2.gz BUVGRHMJZIBRBZ-UHFFFAOYSA-N 0 1 220.341 2.187 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2nccnc2OC)C1 ZINC000294751186 171198699 /nfs/dbraw/zinc/19/86/99/171198699.db2.gz IFRBDJWMPDAHJS-AWEZNQCLSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(CC)C1 ZINC000249036184 171236128 /nfs/dbraw/zinc/23/61/28/171236128.db2.gz XOLSZYWCPVURIU-PWSUYJOCSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000191404218 171237370 /nfs/dbraw/zinc/23/73/70/171237370.db2.gz STNSZVRQDILJNL-ZIAGYGMSSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364513105 171238079 /nfs/dbraw/zinc/23/80/79/171238079.db2.gz ZDXGIHDCRKXKFJ-CHWSQXEVSA-N 0 1 249.310 2.003 20 0 BEADMN CC[C@H](C(N)=O)N1CCC=C(c2ccccc2)C1 ZINC000375329277 171242550 /nfs/dbraw/zinc/24/25/50/171242550.db2.gz YSYOKUYCVYQJMN-CQSZACIVSA-N 0 1 244.338 2.040 20 0 BEADMN CC[C@H](C(N)=O)N(C)Cc1cc2ccccc2o1 ZINC000175192947 171243693 /nfs/dbraw/zinc/24/36/93/171243693.db2.gz MXLDKEYEOYWYIO-GFCCVEGCSA-N 0 1 246.310 2.129 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000358777261 171258694 /nfs/dbraw/zinc/25/86/94/171258694.db2.gz FAYXESAQYXHGRC-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(CC)C[C@@H]1C ZINC000341766486 171265257 /nfs/dbraw/zinc/26/52/57/171265257.db2.gz BQPKQOKXQXAOLU-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(CC)C[C@H]1C ZINC000341766485 171265274 /nfs/dbraw/zinc/26/52/74/171265274.db2.gz BQPKQOKXQXAOLU-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000354313447 171265475 /nfs/dbraw/zinc/26/54/75/171265475.db2.gz YOHZQMVNXUBKPK-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H](N)c1ccccc1C ZINC000294985876 171270683 /nfs/dbraw/zinc/27/06/83/171270683.db2.gz HDPLSOWWOQVQHO-FZMZJTMJSA-N 0 1 248.370 2.499 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1cnccc1N ZINC000128070131 171295308 /nfs/dbraw/zinc/29/53/08/171295308.db2.gz IBVSGWLSHBBOQF-VHSXEESVSA-N 0 1 235.331 2.218 20 0 BEADMN CC[C@H](C)N(CCO)Cc1nc(C)c(C)s1 ZINC000287583534 171315347 /nfs/dbraw/zinc/31/53/47/171315347.db2.gz XYJVNKWEAGJELP-VIFPVBQESA-N 0 1 242.388 2.353 20 0 BEADMN CC[C@H](C)[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000037598649 171315674 /nfs/dbraw/zinc/31/56/74/171315674.db2.gz ULZPODDIGOQCLH-LBPRGKRZSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361472473 171323156 /nfs/dbraw/zinc/32/31/56/171323156.db2.gz XWBWYFWTUVHMNP-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361472472 171323547 /nfs/dbraw/zinc/32/35/47/171323547.db2.gz XWBWYFWTUVHMNP-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357035943 171323621 /nfs/dbraw/zinc/32/36/21/171323621.db2.gz JAFMQCUKSATXEK-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccsc1 ZINC000058123029 171332973 /nfs/dbraw/zinc/33/29/73/171332973.db2.gz MBTFLTVBUFSXMS-VHSXEESVSA-N 0 1 240.372 2.141 20 0 BEADMN CC[C@H](C)NCc1ncc(C2OCCO2)s1 ZINC000289042561 171344330 /nfs/dbraw/zinc/34/43/30/171344330.db2.gz AUHSFZSFSHLBBW-QMMMGPOBSA-N 0 1 242.344 2.077 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000104569408 171361065 /nfs/dbraw/zinc/36/10/65/171361065.db2.gz VYBDLVUSIQWWDO-VHSXEESVSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H](C)[C@@H](C)N(Cc1nccc(N)n1)C1CC1 ZINC000135046364 171362202 /nfs/dbraw/zinc/36/22/02/171362202.db2.gz RKVJMPPQPCSQQY-WDEREUQCSA-N 0 1 248.374 2.458 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](N)c1ccccc1 ZINC000129392756 171363038 /nfs/dbraw/zinc/36/30/38/171363038.db2.gz VLFMBXRNQRBIRH-LOWVWBTDSA-N 0 1 234.343 2.237 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C)no1 ZINC000309169169 171366567 /nfs/dbraw/zinc/36/65/67/171366567.db2.gz KOLVLAMHAANLCH-YIZRAAEISA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1cnccn1)OC ZINC000294081504 171368651 /nfs/dbraw/zinc/36/86/51/171368651.db2.gz AGBMRPBJJFAHKM-GMXVVIOVSA-N 0 1 237.347 2.188 20 0 BEADMN Cc1nc(CN2CC3CC2(C)C3)c(C)o1 ZINC000662386004 412138148 /nfs/dbraw/zinc/13/81/48/412138148.db2.gz PGTSUOYAQXVRDE-UHFFFAOYSA-N 0 1 206.289 2.276 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341789222 171383561 /nfs/dbraw/zinc/38/35/61/171383561.db2.gz CWHQRBYYGFSXMC-AVGNSLFASA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000356760767 171383876 /nfs/dbraw/zinc/38/38/76/171383876.db2.gz FDHBMGSNTZKNQD-RNJOBUHISA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000172780776 171385958 /nfs/dbraw/zinc/38/59/58/171385958.db2.gz VINLJNQRIXKQOK-QWRGUYRKSA-N 0 1 249.358 2.378 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000330944733 171387378 /nfs/dbraw/zinc/38/73/78/171387378.db2.gz GMRYTUWBHXSLRZ-DCAQKATOSA-N 0 1 249.358 2.380 20 0 BEADMN CCn1ccnc1CN(C)C[C@@H]1CC1(C)C ZINC000662344000 412113765 /nfs/dbraw/zinc/11/37/65/412113765.db2.gz FDWQELAFWHSGEN-NSHDSACASA-N 0 1 221.348 2.381 20 0 BEADMN Cc1cnc(CN(C)C[C@H]2CC2(C)C)nc1 ZINC000662346024 412115588 /nfs/dbraw/zinc/11/55/88/412115588.db2.gz QFENNJWCTSVYEH-LLVKDONJSA-N 0 1 219.332 2.263 20 0 BEADMN CN(C[C@H]1CC1(C)C)[C@@H](C(N)=O)c1ccccc1 ZINC000662347084 412118706 /nfs/dbraw/zinc/11/87/06/412118706.db2.gz YSVOMYRUJQTXPF-CHWSQXEVSA-N 0 1 246.354 2.191 20 0 BEADMN CN(C[C@H]1CC1(C)C)[C@H](C(N)=O)c1ccccc1 ZINC000662347085 412119040 /nfs/dbraw/zinc/11/90/40/412119040.db2.gz YSVOMYRUJQTXPF-OLZOCXBDSA-N 0 1 246.354 2.191 20 0 BEADMN CC[C@H](C)CN1CCO[C@@](C)(C(F)F)C1 ZINC000662372136 412130422 /nfs/dbraw/zinc/13/04/22/412130422.db2.gz PDVUHTMUKFUAIQ-GXSJLCMTSA-N 0 1 221.291 2.389 20 0 BEADMN N[C@@H](C(=O)NCCCC1CCC1)c1ccccc1 ZINC000662666157 412264906 /nfs/dbraw/zinc/26/49/06/412264906.db2.gz NYYPRIWUTSKKSV-CQSZACIVSA-N 0 1 246.354 2.383 20 0 BEADMN CC[C@H]1CCCN(c2ncnc3[nH]cnc32)CC1 ZINC000265303903 171618113 /nfs/dbraw/zinc/61/81/13/171618113.db2.gz GVXDWPABBXSSCW-JTQLQIEISA-N 0 1 245.330 2.369 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@H](C3CCC3)C2)[nH]1 ZINC000665289905 412236303 /nfs/dbraw/zinc/23/63/03/412236303.db2.gz ATAHVSDVCHQUFY-SKDRFNHKSA-N 0 1 234.347 2.296 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000662853901 412324232 /nfs/dbraw/zinc/32/42/32/412324232.db2.gz JYIXVWDXZWWIAK-SWLSCSKDSA-N 0 1 248.370 2.413 20 0 BEADMN Cc1cccc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)[nH+]1 ZINC000662892744 412337279 /nfs/dbraw/zinc/33/72/79/412337279.db2.gz HPGACQBGDXZTRX-WDEREUQCSA-N 0 1 234.299 2.080 20 0 BEADMN Cc1cc(NC[C@@H](C(=O)[O-])C2CCC2)nc(C)[nH+]1 ZINC000662899651 412339570 /nfs/dbraw/zinc/33/95/70/412339570.db2.gz HHVRNNXAGKFABH-LLVKDONJSA-N 0 1 249.314 2.006 20 0 BEADMN CC1(C)CN(Cc2ccnc(N)c2)C(C)(C)CO1 ZINC000662907922 412341929 /nfs/dbraw/zinc/34/19/29/412341929.db2.gz VLGYPXZCWXLRNH-UHFFFAOYSA-N 0 1 249.358 2.053 20 0 BEADMN C[C@@](N)(C(=O)NCC1=CCCC1)c1ccccc1 ZINC000662916893 412344769 /nfs/dbraw/zinc/34/47/69/412344769.db2.gz YFCQKTKJCIMAAL-HNNXBMFYSA-N 0 1 244.338 2.087 20 0 BEADMN CC(NC(=O)c1coc(CN)c1)(C1CC1)C1CC1 ZINC000662915545 412345092 /nfs/dbraw/zinc/34/50/92/412345092.db2.gz NJJBDGHHKGOPNJ-UHFFFAOYSA-N 0 1 248.326 2.047 20 0 BEADMN C[C@](N)(C(=O)NCC1=CCCC1)c1ccccc1 ZINC000662916894 412345191 /nfs/dbraw/zinc/34/51/91/412345191.db2.gz YFCQKTKJCIMAAL-OAHLLOKOSA-N 0 1 244.338 2.087 20 0 BEADMN CCc1ccc(CN2CC(C(C)(C)O)C2)o1 ZINC000297348004 171796457 /nfs/dbraw/zinc/79/64/57/171796457.db2.gz GGRJKIOHMPCEOF-UHFFFAOYSA-N 0 1 223.316 2.045 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C(C)C)C2)n[nH]1 ZINC000674810794 487623540 /nfs/dbraw/zinc/62/35/40/487623540.db2.gz OAPOUDSHOVIDTC-NSHDSACASA-N 0 1 249.358 2.480 20 0 BEADMN CCc1nnc(SCCC(C)(C)OC)[nH]1 ZINC000340663428 172000424 /nfs/dbraw/zinc/00/04/24/172000424.db2.gz WAJQDWWWLWNEFH-UHFFFAOYSA-N 0 1 229.349 2.274 20 0 BEADMN CCc1n[nH]c(SCCC(C)(C)OC)n1 ZINC000340663428 172000425 /nfs/dbraw/zinc/00/04/25/172000425.db2.gz WAJQDWWWLWNEFH-UHFFFAOYSA-N 0 1 229.349 2.274 20 0 BEADMN CCc1nnc(S[C@H]2CCC[C@H]2OC)[nH]1 ZINC000338539132 172000745 /nfs/dbraw/zinc/00/07/45/172000745.db2.gz FORAXMZUCMTUHU-SFYZADRCSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCC[C@H]2OC)n1 ZINC000338539132 172000746 /nfs/dbraw/zinc/00/07/46/172000746.db2.gz FORAXMZUCMTUHU-SFYZADRCSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1nc([C@H](C)NCc2ccc(C)o2)n[nH]1 ZINC000270635021 172005772 /nfs/dbraw/zinc/00/57/72/172005772.db2.gz GQRCXAGVFFNZRH-VIFPVBQESA-N 0 1 234.303 2.119 20 0 BEADMN CCc1nc([C@H](C)NCC2(O)CCC2)cs1 ZINC000336772792 172006188 /nfs/dbraw/zinc/00/61/88/172006188.db2.gz VTFNIECYSMJCTF-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN CCc1nnc(CN2CC[C@H](C(C)C)C2)o1 ZINC000336669206 172050507 /nfs/dbraw/zinc/05/05/07/172050507.db2.gz HYLHKOYBKARJJT-JTQLQIEISA-N 0 1 223.320 2.110 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2CC)o1 ZINC000336651258 172050979 /nfs/dbraw/zinc/05/09/79/172050979.db2.gz UXFSUPFCTJQIMX-SECBINFHSA-N 0 1 209.293 2.006 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@@H](C)[C@@H]2C)s1 ZINC000336755778 172054400 /nfs/dbraw/zinc/05/44/00/172054400.db2.gz IHRKENTULNJBBZ-HRDYMLBCSA-N 0 1 225.361 2.235 20 0 BEADMN CCc1nc(SCc2ccc(F)cn2)n[nH]1 ZINC000276185369 172062960 /nfs/dbraw/zinc/06/29/60/172062960.db2.gz YQMJBTBQOJOLQG-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1n[nH]c(SCc2ccc(F)cn2)n1 ZINC000276185369 172062962 /nfs/dbraw/zinc/06/29/62/172062962.db2.gz YQMJBTBQOJOLQG-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C)[C@H]2C)o1 ZINC000361340519 172065019 /nfs/dbraw/zinc/06/50/19/172065019.db2.gz FPRAUSSLRVQKKY-AEJSXWLSSA-N 0 1 223.320 2.423 20 0 BEADMN CCc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000045894638 172071488 /nfs/dbraw/zinc/07/14/88/172071488.db2.gz VVRRILZTRCRPNB-UHFFFAOYSA-N 0 1 230.227 2.282 20 0 BEADMN CCc1nocc1CN1CCC=C(C)C1 ZINC000336483978 172098923 /nfs/dbraw/zinc/09/89/23/172098923.db2.gz ZANSCOGKUCOUFV-UHFFFAOYSA-N 0 1 206.289 2.389 20 0 BEADMN CCc1nocc1CN[C@H]1CSC1(C)C ZINC000339397677 172102341 /nfs/dbraw/zinc/10/23/41/172102341.db2.gz SJFHNDQYVDHRFT-JTQLQIEISA-N 0 1 226.345 2.221 20 0 BEADMN CCn1cc(CN2CC=C(C)CC2)cn1 ZINC000271185614 172161627 /nfs/dbraw/zinc/16/16/27/172161627.db2.gz MWTJUPUIVIOQGM-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN CCn1cc(CNc2ccc3c(n2)CCC3)cn1 ZINC000294858160 172176469 /nfs/dbraw/zinc/17/64/69/172176469.db2.gz ODCOTKKYFZPMRI-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN CCn1cc([C@H](C)N[C@H](C)c2cnn(C)c2)cn1 ZINC000163901218 172197034 /nfs/dbraw/zinc/19/70/34/172197034.db2.gz BJVXKXHDAOVHQT-MNOVXSKESA-N 0 1 247.346 2.048 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CSC1(C)C ZINC000296267259 172229770 /nfs/dbraw/zinc/22/97/70/172229770.db2.gz BYIFLUGSJDCKGD-UWVGGRQHSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1nc(C)c(CNCCC=C(C)C)n1 ZINC000296652714 172245102 /nfs/dbraw/zinc/24/51/02/172245102.db2.gz DJLNUPAWMHWBHQ-UHFFFAOYSA-N 0 1 222.336 2.052 20 0 BEADMN CCn1nc(C)c(NCc2[nH]ncc2C)c1C ZINC000289551154 172248781 /nfs/dbraw/zinc/24/87/81/172248781.db2.gz QCKBUBWUCXNGSU-UHFFFAOYSA-N 0 1 233.319 2.163 20 0 BEADMN CCn1nccc1CN1CCC(C)=C(C)C1 ZINC000281003026 172266175 /nfs/dbraw/zinc/26/61/75/172266175.db2.gz XWICVYJNNLGIIA-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CCn1nccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000120513641 172269563 /nfs/dbraw/zinc/26/95/63/172269563.db2.gz YOMXUHUKKPWNHM-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1ncnc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000336326014 172278492 /nfs/dbraw/zinc/27/84/92/172278492.db2.gz MQGFYRXETBBIBB-RYUDHWBXSA-N 0 1 248.374 2.309 20 0 BEADMN CCn1ncnc1CN(CC1CC1)CC1CCC1 ZINC000361556591 172278924 /nfs/dbraw/zinc/27/89/24/172278924.db2.gz IWKACCGRLPVXTA-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1nncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000334555143 172291337 /nfs/dbraw/zinc/29/13/37/172291337.db2.gz BLFBLGJHHLMRGI-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CN(C(=O)[C@@H]1CCCN1C1CC1)c1ccccc1 ZINC000279753043 172328137 /nfs/dbraw/zinc/32/81/37/172328137.db2.gz QHACCSZMOIXXCV-AWEZNQCLSA-N 0 1 244.338 2.276 20 0 BEADMN CN(C(=O)c1cnc[nH]1)C1CCC(C)(C)CC1 ZINC000268099373 172347011 /nfs/dbraw/zinc/34/70/11/172347011.db2.gz WPHFMWJZCQIFKT-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CN(C(=O)c1ncccc1O)c1ccc(F)cc1 ZINC000049965998 172349103 /nfs/dbraw/zinc/34/91/03/172349103.db2.gz RTLCTPUUMZOLCG-UHFFFAOYSA-N 0 1 246.241 2.203 20 0 BEADMN CN(C)Cc1ccsc1C(=O)N1CCCC1 ZINC000268017245 172505549 /nfs/dbraw/zinc/50/55/49/172505549.db2.gz IECONGFPALALQC-UHFFFAOYSA-N 0 1 238.356 2.046 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000082324613 173051103 /nfs/dbraw/zinc/05/11/03/173051103.db2.gz HVXSHWGFVINVEN-NSHDSACASA-N 0 1 238.718 2.373 20 0 BEADMN CN1CCN(CCCC(C)(C)C)C(C)(C)C1=O ZINC000337188574 173078182 /nfs/dbraw/zinc/07/81/82/173078182.db2.gz QJFQLQZNUHXAOX-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CN1CCN(Cc2ccsc2Cl)CC1 ZINC000335389645 173089727 /nfs/dbraw/zinc/08/97/27/173089727.db2.gz ORBIHNBTUGBKLA-UHFFFAOYSA-N 0 1 230.764 2.149 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662226401 487627056 /nfs/dbraw/zinc/62/70/56/487627056.db2.gz RGEWTJXJNCDKHX-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN COC(=O)c1ccc(CNCCC(C)(F)F)o1 ZINC000294254545 173877491 /nfs/dbraw/zinc/87/74/91/173877491.db2.gz QIKRBGJWCIZOPE-UHFFFAOYSA-N 0 1 247.241 2.201 20 0 BEADMN COC1(CNc2ccnc(C)c2Cl)CCC1 ZINC000336669330 173996227 /nfs/dbraw/zinc/99/62/27/173996227.db2.gz RLGQHFBELCDUTA-UHFFFAOYSA-N 0 1 240.734 2.446 20 0 BEADMN COCC(C)(C)CNc1cc(C)ccn1 ZINC000276923453 174075643 /nfs/dbraw/zinc/07/56/43/174075643.db2.gz PLCJKSHVSKCYHE-UHFFFAOYSA-N 0 1 208.305 2.475 20 0 BEADMN COCC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000293315660 174076439 /nfs/dbraw/zinc/07/64/39/174076439.db2.gz FILWJPKSFZPNCM-SNVBAGLBSA-N 0 1 226.320 2.306 20 0 BEADMN COCC1(CN[C@@H](C)c2cc(C)on2)CCC1 ZINC000340534165 174105638 /nfs/dbraw/zinc/10/56/38/174105638.db2.gz YYUPICVSMBIJFV-NSHDSACASA-N 0 1 238.331 2.450 20 0 BEADMN COCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000170210657 174136141 /nfs/dbraw/zinc/13/61/41/174136141.db2.gz MJUPNZRXSAGRQA-UHFFFAOYSA-N 0 1 247.653 2.160 20 0 BEADMN COCCC1(C)CN(Cc2cnccc2C)C1 ZINC000297390012 174152346 /nfs/dbraw/zinc/15/23/46/174152346.db2.gz KLVGVPUFUMBBIW-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN COCCC1(C)CN(Cc2ccco2)C1 ZINC000297504971 174152973 /nfs/dbraw/zinc/15/29/73/174152973.db2.gz WPWLTMZXYJIVQK-UHFFFAOYSA-N 0 1 209.289 2.138 20 0 BEADMN COCCCCCN1CCC[C@H]1c1ncc[nH]1 ZINC000364726045 174177965 /nfs/dbraw/zinc/17/79/65/174177965.db2.gz WFPDYFNCRFTNIO-LBPRGKRZSA-N 0 1 237.347 2.363 20 0 BEADMN COCCCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066851934 174234737 /nfs/dbraw/zinc/23/47/37/174234737.db2.gz YRMWRQKTRLTKMR-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN COCCCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148275 174235115 /nfs/dbraw/zinc/23/51/15/174235115.db2.gz NIEUTSCAWGXBFL-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN COCCCN[C@@H](C)c1csc(C)n1 ZINC000022862928 174248963 /nfs/dbraw/zinc/24/89/63/174248963.db2.gz NEJSGYJBYXNNSL-QMMMGPOBSA-N 0 1 214.334 2.139 20 0 BEADMN COCCCN[C@H](C)c1c(F)cncc1F ZINC000285772812 174250865 /nfs/dbraw/zinc/25/08/65/174250865.db2.gz SGAFLOUPNYZUTQ-MRVPVSSYSA-N 0 1 230.258 2.047 20 0 BEADMN COCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053427637 174280608 /nfs/dbraw/zinc/28/06/08/174280608.db2.gz ZSEFJQWHTZKVQI-PWSUYJOCSA-N 0 1 223.316 2.481 20 0 BEADMN COCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000045206224 174339946 /nfs/dbraw/zinc/33/99/46/174339946.db2.gz XKNNQQFWTFDHLA-JTQLQIEISA-N 0 1 226.345 2.139 20 0 BEADMN COCC[C@@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000339582702 174394983 /nfs/dbraw/zinc/39/49/83/174394983.db2.gz CSLHIYAUBLLFEH-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN COCC[C@H](COC)NCc1ccc(Cl)o1 ZINC000309329126 174414548 /nfs/dbraw/zinc/41/45/48/174414548.db2.gz ISGNPQCJEAJYRH-SECBINFHSA-N 0 1 247.722 2.074 20 0 BEADMN COC[C@@H](N[C@H](C)COC(C)C)c1ccco1 ZINC000337346719 174487533 /nfs/dbraw/zinc/48/75/33/174487533.db2.gz WRUHUNMNRZGBAM-VXGBXAGGSA-N 0 1 241.331 2.370 20 0 BEADMN COC[C@H](N[C@@H](C)c1ccco1)[C@H]1CCCO1 ZINC000278892057 174585273 /nfs/dbraw/zinc/58/52/73/174585273.db2.gz UCJOFDRPAMJIFV-GMXVVIOVSA-N 0 1 239.315 2.124 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1csc(C)n1 ZINC000041010663 174875151 /nfs/dbraw/zinc/87/51/51/174875151.db2.gz IKNRYGSJXQPNLN-RYUDHWBXSA-N 0 1 240.372 2.499 20 0 BEADMN COc1ccc(CN(C)[C@@H](C)CO)c(Cl)c1 ZINC000305738339 175096489 /nfs/dbraw/zinc/09/64/89/175096489.db2.gz QPWPKEFEQAZVHZ-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(C[N@@H+](CCC(=O)[O-])C2CC2)cc1 ZINC000037389252 175096741 /nfs/dbraw/zinc/09/67/41/175096741.db2.gz IMVNOUDEIGGMCB-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)C(C)(C)C2)nn1 ZINC000283252605 175101802 /nfs/dbraw/zinc/10/18/02/175101802.db2.gz VMBFNAFEQMGAEZ-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN COc1ccc(CN2CC[C@H](SC)C2)cn1 ZINC000295051705 175102776 /nfs/dbraw/zinc/10/27/76/175102776.db2.gz NMYJRHSNOILGRT-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN COc1ccc(CNCc2cnc(C)nc2)cc1 ZINC000339279446 175108080 /nfs/dbraw/zinc/10/80/80/175108080.db2.gz AJNVRJVLEYJHAN-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN COc1ccc(CN[C@@H](C)CF)cc1F ZINC000288555314 175109057 /nfs/dbraw/zinc/10/90/57/175109057.db2.gz YCKWXFPTJYAXOH-QMMMGPOBSA-N 0 1 215.243 2.282 20 0 BEADMN COc1ccc(CN[C@H](C)CF)c(C)c1OC ZINC000342198814 175111472 /nfs/dbraw/zinc/11/14/72/175111472.db2.gz JBUYCFSZVRAXGQ-SECBINFHSA-N 0 1 241.306 2.460 20 0 BEADMN COc1ccc(CN[C@H](C)CF)cc1OC ZINC000288349841 175111582 /nfs/dbraw/zinc/11/15/82/175111582.db2.gz BXXGRNUXIREEAQ-SECBINFHSA-N 0 1 227.279 2.151 20 0 BEADMN COc1ccc(F)c(CNCCOC(C)C)c1 ZINC000293237990 175124732 /nfs/dbraw/zinc/12/47/32/175124732.db2.gz LBQWNJPGZPIIHZ-UHFFFAOYSA-N 0 1 241.306 2.349 20 0 BEADMN COc1ccc(SCc2n[nH]c(C)n2)cc1 ZINC000291751887 175175453 /nfs/dbraw/zinc/17/54/53/175175453.db2.gz UBSATEIYAHANCH-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN COc1ccc2c(c1F)CC[C@@H]2NCCF ZINC000290511253 175221356 /nfs/dbraw/zinc/22/13/56/175221356.db2.gz YNPUGHYPMFTTCG-JTQLQIEISA-N 0 1 227.254 2.381 20 0 BEADMN COc1ccc2nc(SC[C@@H](C)O)[nH]c2c1 ZINC000037492020 175228557 /nfs/dbraw/zinc/22/85/57/175228557.db2.gz UPZHFEIPWXLGHE-SSDOTTSWSA-N 0 1 238.312 2.044 20 0 BEADMN COc1cccc(CNC[C@H](C)C(F)(F)F)n1 ZINC000359661396 175264717 /nfs/dbraw/zinc/26/47/17/175264717.db2.gz GCRFALHHVOWSKA-QMMMGPOBSA-N 0 1 248.248 2.378 20 0 BEADMN COc1cccc(CNCc2ccc(CO)o2)c1 ZINC000077897915 175265887 /nfs/dbraw/zinc/26/58/87/175265887.db2.gz SABPUMDNTSAZNT-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN COc1cccc(NC(=O)c2ncccc2O)c1 ZINC000037760604 175278210 /nfs/dbraw/zinc/27/82/10/175278210.db2.gz AUANIAKADQVVQY-UHFFFAOYSA-N 0 1 244.250 2.048 20 0 BEADMN COc1cccc([C@@H](C)NCc2cn[nH]c2)c1 ZINC000038005831 175286491 /nfs/dbraw/zinc/28/64/91/175286491.db2.gz GJMADAHPNNNIOH-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1cccc2c1CC[C@@H]2NCCF ZINC000281080501 175302286 /nfs/dbraw/zinc/30/22/86/175302286.db2.gz PAQWZVPLCSWDAJ-NSHDSACASA-N 0 1 209.264 2.242 20 0 BEADMN COc1cccc2c1CC[C@H]2NCCF ZINC000281080497 175303322 /nfs/dbraw/zinc/30/33/22/175303322.db2.gz PAQWZVPLCSWDAJ-LLVKDONJSA-N 0 1 209.264 2.242 20 0 BEADMN COc1ccccc1CN(C)Cc1[nH]ncc1C ZINC000356058777 175326700 /nfs/dbraw/zinc/32/67/00/175326700.db2.gz GCECUVSFNUQCGX-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN COc1ccccc1CN[C@H](C)c1cnn(C)c1 ZINC000044494354 175331079 /nfs/dbraw/zinc/33/10/79/175331079.db2.gz IVMMVQRWHAZGLY-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccsc1CN1CCCO[C@H](C)C1 ZINC000271146391 175377716 /nfs/dbraw/zinc/37/77/16/175377716.db2.gz IICOWJGKMQNLEI-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN COc1ccsc1[C@@H](C)NCCF ZINC000281092628 175379423 /nfs/dbraw/zinc/37/94/23/175379423.db2.gz QAJFYZFDOMVWQR-SSDOTTSWSA-N 0 1 203.282 2.377 20 0 BEADMN COc1ccsc1[C@H](C)NCCF ZINC000281092633 175379941 /nfs/dbraw/zinc/37/99/41/175379941.db2.gz QAJFYZFDOMVWQR-ZETCQYMHSA-N 0 1 203.282 2.377 20 0 BEADMN COc1coc(CN2CCCCCC2)cc1=O ZINC000267934739 175387865 /nfs/dbraw/zinc/38/78/65/175387865.db2.gz XBFZUFRGYOBZAZ-UHFFFAOYSA-N 0 1 237.299 2.024 20 0 BEADMN COc1ncc(CN(C)[C@H]2CC2(C)C)c(C)n1 ZINC000337228519 175398297 /nfs/dbraw/zinc/39/82/97/175398297.db2.gz HBIKUNHJCZQIAP-NSHDSACASA-N 0 1 235.331 2.024 20 0 BEADMN CS[C@@H]1CCC[C@H](NCc2cocn2)C1 ZINC000192315284 175549123 /nfs/dbraw/zinc/54/91/23/175549123.db2.gz DHPIRJCFGGDDBS-GXSJLCMTSA-N 0 1 226.345 2.438 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000070965924 175916818 /nfs/dbraw/zinc/91/68/18/175916818.db2.gz WEQFGKUAYPIQHX-PSASIEDQSA-N 0 1 227.254 2.404 20 0 BEADMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1cccnc1 ZINC000358360340 175922196 /nfs/dbraw/zinc/92/21/96/175922196.db2.gz ABDOFZUFHYCZBD-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](Nc1ncnc2[nH]cnc21)C1CCCC1 ZINC000070307268 175938570 /nfs/dbraw/zinc/93/85/70/175938570.db2.gz DCOOKWZJBFQLJN-MRVPVSSYSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](CO)C1 ZINC000304416535 176013315 /nfs/dbraw/zinc/01/33/15/176013315.db2.gz DALQFQKLFYLPHP-VHSXEESVSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCC(=O)[O-] ZINC000083662856 176015681 /nfs/dbraw/zinc/01/56/81/176015681.db2.gz OCFXLYVBLCNCKT-QMMMGPOBSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@@H](c1ccccc1)N(C(=O)CN(C)C)C1CC1 ZINC000298685389 176019383 /nfs/dbraw/zinc/01/93/83/176019383.db2.gz DJDOCNJUUAZHFG-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCc1cnn(C)c1 ZINC000271063009 176025833 /nfs/dbraw/zinc/02/58/33/176025833.db2.gz AOWKVAPUYVEOCM-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCc1cnccn1 ZINC000271373004 176026395 /nfs/dbraw/zinc/02/63/95/176026395.db2.gz RSVQZTQSONSAKG-LBPRGKRZSA-N 0 1 242.326 2.107 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCOCC(F)F ZINC000189778016 176034142 /nfs/dbraw/zinc/03/41/42/176034142.db2.gz IJKQBTIOIUMIAP-JTQLQIEISA-N 0 1 244.285 2.356 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCCCCO ZINC000119792018 176034191 /nfs/dbraw/zinc/03/41/91/176034191.db2.gz BPHMXLVWXACUGD-LBPRGKRZSA-N 0 1 222.332 2.237 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCc1cnn(C)c1 ZINC000271392493 176034194 /nfs/dbraw/zinc/03/41/94/176034194.db2.gz MFRAYMLGDCCDCC-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@@H](c1cnccn1)N1CCOCC2(CCC2)C1 ZINC000376371841 176036978 /nfs/dbraw/zinc/03/69/78/176036978.db2.gz VMCGJMJTWGNFQO-LBPRGKRZSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@@H]1CC([NH2+][C@@H]2CCCc3c[nH]nc32)C[C@@H](C)O1 ZINC000378454154 176055015 /nfs/dbraw/zinc/05/50/15/176055015.db2.gz PVLUZHQLIJYLLK-GIPNMCIBSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@@H]1CCC(C)(C)N1Cc1cnns1 ZINC000334692677 176061275 /nfs/dbraw/zinc/06/12/75/176061275.db2.gz XRCMDIACUISUKX-MRVPVSSYSA-N 0 1 211.334 2.301 20 0 BEADMN C[C@@H]1CCCCCN1C(=O)c1coc(CN)c1 ZINC000336596998 176063859 /nfs/dbraw/zinc/06/38/59/176063859.db2.gz JWGQFPXQXHELDF-SNVBAGLBSA-N 0 1 236.315 2.143 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@@](C)(N)c1ccccc1 ZINC000052880950 176067800 /nfs/dbraw/zinc/06/78/00/176067800.db2.gz YCCNWAHJZGZWCP-DOMZBBRYSA-N 0 1 246.354 2.262 20 0 BEADMN C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000045053675 176069739 /nfs/dbraw/zinc/06/97/39/176069739.db2.gz HIRUAXFETCHKIG-SECBINFHSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@@H]1CCCCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000158926586 176072986 /nfs/dbraw/zinc/07/29/86/176072986.db2.gz SYQDREHVUNQPCK-LLVKDONJSA-N 0 1 249.358 2.091 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000298596418 176080484 /nfs/dbraw/zinc/08/04/84/176080484.db2.gz XFNGJVXKFKWUQR-KOLCDFICSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000273478011 176095739 /nfs/dbraw/zinc/09/57/39/176095739.db2.gz IIAQGRQPORIJGB-LLVKDONJSA-N 0 1 247.342 2.020 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCc2ccccc2)[C@H]1C(=O)[O-] ZINC000300268615 176098128 /nfs/dbraw/zinc/09/81/28/176098128.db2.gz APQCBGYEMHLSPO-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1ccc(F)cc1O ZINC000123975665 176107718 /nfs/dbraw/zinc/10/77/18/176107718.db2.gz PVIQQQAJSNFNDQ-MRVPVSSYSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@@H]1CCC[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000037911378 176108703 /nfs/dbraw/zinc/10/87/03/176108703.db2.gz HVXMNSASIUVQJL-LLVKDONJSA-N 0 1 249.310 2.248 20 0 BEADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CCCC(=O)[O-])C1 ZINC000131019667 176114567 /nfs/dbraw/zinc/11/45/67/176114567.db2.gz QPRHMTDQIARZSK-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1coc(CN)c1 ZINC000187187864 176115507 /nfs/dbraw/zinc/11/55/07/176115507.db2.gz WOINJSGZGCVCSA-NXEZZACHSA-N 0 1 236.315 2.141 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000129356709 176121761 /nfs/dbraw/zinc/12/17/61/176121761.db2.gz SFVDVPCDMFOWPN-BNOWGMLFSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2cnccc2N)[C@@H]1C ZINC000126976711 176122644 /nfs/dbraw/zinc/12/26/44/176122644.db2.gz GLCDMQJFCMLVBW-GIPNMCIBSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000299659514 176178360 /nfs/dbraw/zinc/17/83/60/176178360.db2.gz QEKLUCSFCXBOSA-SECBINFHSA-N 0 1 233.271 2.171 20 0 BEADMN C[C@@H]1CCN(Cc2ncc[nH]2)CC1(C)C ZINC000273742661 176178692 /nfs/dbraw/zinc/17/86/92/176178692.db2.gz SFVCQQARPLXVBA-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C)CC12CCC2 ZINC000334155966 176179296 /nfs/dbraw/zinc/17/92/96/176179296.db2.gz XBRUPAKXMPUGPY-GFCCVEGCSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@@H]1CCN[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000127912639 176186579 /nfs/dbraw/zinc/18/65/79/176186579.db2.gz RJTKDBZZMFKUOR-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(O)cc1 ZINC000336540065 176199466 /nfs/dbraw/zinc/19/94/66/176199466.db2.gz UMGXESQDPSBQBZ-GHMZBOCLSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCCC2)C[C@@H](C)N1 ZINC000070076098 176243705 /nfs/dbraw/zinc/24/37/05/176243705.db2.gz WSSZDVJCOZNYAD-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1ccc(F)c(F)c1 ZINC000353600213 176266742 /nfs/dbraw/zinc/26/67/42/176266742.db2.gz XWLNDBSAUQBBAK-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1c(F)cccc1F ZINC000353588175 176267094 /nfs/dbraw/zinc/26/70/94/176267094.db2.gz CIOYCIIUVNYBHF-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1ccccc1Cl ZINC000353584438 176267454 /nfs/dbraw/zinc/26/74/54/176267454.db2.gz GTTBRPIGFPPGBX-LLVKDONJSA-N 0 1 238.762 2.476 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)[C@H](C)CO1 ZINC000360469570 176289067 /nfs/dbraw/zinc/28/90/67/176289067.db2.gz POFXBTSDHYITCK-CHWSQXEVSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(CCCc2cccc(F)c2)CCO1 ZINC000182588821 176290123 /nfs/dbraw/zinc/29/01/23/176290123.db2.gz GMFYPRNFHWMSHZ-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN C[C@@H]1CN(CC[S@@](=O)c2ccccc2)[C@@H]1C ZINC000339572169 176293560 /nfs/dbraw/zinc/29/35/60/176293560.db2.gz BUXQIIYVSPCODO-XHBSWPGZSA-N 0 1 237.368 2.134 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)C[C@H](C2CC2)O1 ZINC000279337295 176294695 /nfs/dbraw/zinc/29/46/95/176294695.db2.gz PHXCFJWXTDYYJI-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCOc3ccccc32)CCO1 ZINC000362375527 176299872 /nfs/dbraw/zinc/29/98/72/176299872.db2.gz FRDMXRFSSKAOLU-CHWSQXEVSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)o2)CCC1(F)F ZINC000291581860 176303561 /nfs/dbraw/zinc/30/35/61/176303561.db2.gz OXBVMEUGDDCQTN-SECBINFHSA-N 0 1 245.269 2.249 20 0 BEADMN C[C@@H]1CN(Cc2ncc[nH]2)CC(C)(C)C1 ZINC000336351214 176312189 /nfs/dbraw/zinc/31/21/89/176312189.db2.gz BMCGBKBOCBLZPL-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN C[C@@H]1COCCN1CCCCOC(C)(C)C ZINC000354878603 176335819 /nfs/dbraw/zinc/33/58/19/176335819.db2.gz MCHOYZJOHFPBBS-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@@H]1CO[C@H](c2ccccc2)CN1CCCCO ZINC000170872316 176348188 /nfs/dbraw/zinc/34/81/88/176348188.db2.gz JJIAJDMMJWVIQK-HIFRSBDPSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cn(C(C)(C)C)nn2)C1 ZINC000336465318 176363667 /nfs/dbraw/zinc/36/36/67/176363667.db2.gz JRAQMTLZOUCWQM-GHMZBOCLSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ncccn2)C1 ZINC000361840165 176365662 /nfs/dbraw/zinc/36/56/62/176365662.db2.gz PYBXFXYNPYHZDJ-IJLUTSLNSA-N 0 1 219.332 2.343 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@H]2CCCCO2)c2nccn21 ZINC000345355003 176376717 /nfs/dbraw/zinc/37/67/17/176376717.db2.gz SSIWPGCVRGMMLG-GRYCIOLGSA-N 0 1 235.331 2.048 20 0 BEADMN C[C@@](N[C@@H]1C=CCCC1)(C(N)=O)c1ccccc1 ZINC000171735641 176513071 /nfs/dbraw/zinc/51/30/71/176513071.db2.gz MWZPDCJGWUZIQO-HIFRSBDPSA-N 0 1 244.338 2.085 20 0 BEADMN C[C@H](NCC(C)(C)O)c1c(F)cccc1F ZINC000078514772 176834492 /nfs/dbraw/zinc/83/44/92/176834492.db2.gz WAGVQDQFNJKLTG-QMMMGPOBSA-N 0 1 229.270 2.386 20 0 BEADMN C[C@H](N[C@@H]1C=CCCCCC1)c1nncn1C ZINC000294727766 176891558 /nfs/dbraw/zinc/89/15/58/176891558.db2.gz WCLLHBWNCHKOMI-NWDGAFQWSA-N 0 1 234.347 2.355 20 0 BEADMN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccco1 ZINC000306045214 176892238 /nfs/dbraw/zinc/89/22/38/176892238.db2.gz UVTJBWJNRKRVBM-QJPTWQEYSA-N 0 1 248.326 2.084 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccnn1C ZINC000192246444 176915378 /nfs/dbraw/zinc/91/53/78/176915378.db2.gz KCFLQYRDZGNDQA-WDEREUQCSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCCN1)c1ccccc1 ZINC000040430514 177020272 /nfs/dbraw/zinc/02/02/72/177020272.db2.gz AYPYSUHQDDSYHI-CMPLNLGQSA-N 0 1 219.284 2.043 20 0 BEADMN C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000082250086 177032127 /nfs/dbraw/zinc/03/21/27/177032127.db2.gz JDIXFNHPTNNWLR-MRVPVSSYSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1CC[C@H](CO)C1 ZINC000304416539 177032332 /nfs/dbraw/zinc/03/23/32/177032332.db2.gz DALQFQKLFYLPHP-ZJUUUORDSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)[O-] ZINC000106037448 177033287 /nfs/dbraw/zinc/03/32/87/177033287.db2.gz FBIDJWVFDBZEEN-MRVPVSSYSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@](C)(O)C1 ZINC000267311251 177034784 /nfs/dbraw/zinc/03/47/84/177034784.db2.gz DJAODHJVCHROBB-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](c1nncn1C)N1CCC2(CCC2)CC1 ZINC000376558798 177053679 /nfs/dbraw/zinc/05/36/79/177053679.db2.gz PYAXBYQYQGZTRU-LLVKDONJSA-N 0 1 234.347 2.142 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@H](O)C1 ZINC000305836017 177054262 /nfs/dbraw/zinc/05/42/62/177054262.db2.gz XAMGTSKRCROUKA-MNOVXSKESA-N 0 1 246.310 2.346 20 0 BEADMN C[C@H](c1nncn1C)N1CCC2(CCCC2)C1 ZINC000376553992 177054283 /nfs/dbraw/zinc/05/42/83/177054283.db2.gz OXVFKQQPTKYJNM-LLVKDONJSA-N 0 1 234.347 2.142 20 0 BEADMN C[C@H]1CCCCN(CC(=O)c2cccn2C)C1 ZINC000187946730 177071454 /nfs/dbraw/zinc/07/14/54/177071454.db2.gz UOIQEHGUZUYING-LBPRGKRZSA-N 0 1 234.343 2.330 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@](C)(N)c1ccccc1 ZINC000052880949 177073584 /nfs/dbraw/zinc/07/35/84/177073584.db2.gz YCCNWAHJZGZWCP-SWLSCSKDSA-N 0 1 246.354 2.262 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)c1cnccc1N ZINC000127346498 177080086 /nfs/dbraw/zinc/08/00/86/177080086.db2.gz WJHHNWCMTGIAQY-WDEREUQCSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2CCCC2)[C@H]1C(=O)[O-] ZINC000300275861 177098597 /nfs/dbraw/zinc/09/85/97/177098597.db2.gz YGMRWGRTMRUBAP-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000104358549 177105534 /nfs/dbraw/zinc/10/55/34/177105534.db2.gz ARGDIUPKFYNMFV-JTQLQIEISA-N 0 1 234.299 2.406 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CC(=O)c1cccn1C ZINC000037333384 177116244 /nfs/dbraw/zinc/11/62/44/177116244.db2.gz WOSYYLNARNLGJY-TXEJJXNPSA-N 0 1 234.343 2.471 20 0 BEADMN C[C@H]1CCC[C@@H](CC(=O)NCCN2CCC2)C1 ZINC000337273809 177118205 /nfs/dbraw/zinc/11/82/05/177118205.db2.gz CQNICILLXHUHIA-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000119876468 177136185 /nfs/dbraw/zinc/13/61/85/177136185.db2.gz WDKXEUFLWWDSOM-UWVGGRQHSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]1CO ZINC000249007491 177163079 /nfs/dbraw/zinc/16/30/79/177163079.db2.gz ZRDRHCLRBAUJHK-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)c(F)c2)[C@@H]1CO ZINC000189733015 177164103 /nfs/dbraw/zinc/16/41/03/177164103.db2.gz YVYQKTKEDNHOLK-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000270673880 177169031 /nfs/dbraw/zinc/16/90/31/177169031.db2.gz XQHJASIQGWQNRB-VIFPVBQESA-N 0 1 206.289 2.394 20 0 BEADMN C[C@H]1CCN[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000127911962 177175271 /nfs/dbraw/zinc/17/52/71/177175271.db2.gz MHNGTJOSSKEZJI-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2nccn2C)C1 ZINC000076149101 177183889 /nfs/dbraw/zinc/18/38/89/177183889.db2.gz HBWUGZVGBCZPPW-MNOVXSKESA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@H](NCC(F)(F)CO)C1 ZINC000300397856 177184292 /nfs/dbraw/zinc/18/42/92/177184292.db2.gz QBOIBSSUGYXUQQ-KXUCPTDWSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H](C(=O)Nc1ccccn1)N1[C@H](C)CC[C@@H]1C ZINC000121963434 177187384 /nfs/dbraw/zinc/18/73/84/177187384.db2.gz CEAIUNDQDCLVFQ-TUAOUCFPSA-N 0 1 247.342 2.281 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H](C)N1 ZINC000070076096 177214175 /nfs/dbraw/zinc/21/41/75/177214175.db2.gz WSSZDVJCOZNYAD-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc2[nH]cnc21 ZINC000294276406 177228317 /nfs/dbraw/zinc/22/83/17/177228317.db2.gz UEMMVRMDJXFEFT-DTWKUNHWSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc[nH]2)[C@H]1c1ccccc1 ZINC000266299458 177230733 /nfs/dbraw/zinc/23/07/33/177230733.db2.gz IWGRIRJRXQOVSI-GXFFZTMASA-N 0 1 241.294 2.243 20 0 BEADMN C[C@H]1CN(CCC(=O)c2ccccc2)CCCO1 ZINC000061934014 177246892 /nfs/dbraw/zinc/24/68/92/177246892.db2.gz BBTLDVDKQKJYFC-ZDUSSCGKSA-N 0 1 247.338 2.370 20 0 BEADMN C[C@H]1CN(CCCCO)C[C@@H](c2ccccc2)O1 ZINC000263983792 177248312 /nfs/dbraw/zinc/24/83/12/177248312.db2.gz GWAJTPRUSQOKSJ-ZFWWWQNUSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H]1CN(CCOC(C)(C)C)C[C@H](C2CC2)O1 ZINC000373510689 177252745 /nfs/dbraw/zinc/25/27/45/177252745.db2.gz UOHBUNVFXMTNII-WCQYABFASA-N 0 1 241.375 2.301 20 0 BEADMN C[C@H]1CN(Cc2nc3ccccc3s2)C[C@@H]1O ZINC000351820621 177270116 /nfs/dbraw/zinc/27/01/16/177270116.db2.gz AIGWQTUAACUSFR-ONGXEEELSA-N 0 1 248.351 2.109 20 0 BEADMN C[C@H]1COCCN1CCCCC1CCOCC1 ZINC000337135525 177290462 /nfs/dbraw/zinc/29/04/62/177290462.db2.gz NWWQUPHLBMXWQX-ZDUSSCGKSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@H]1COCC[C@H]1NCc1csc(Cl)n1 ZINC000295996325 177297215 /nfs/dbraw/zinc/29/72/15/177297215.db2.gz MJODOQINAXGTIO-IONNQARKSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H]1CSCCN1Cc1ccncc1 ZINC000172984818 177304776 /nfs/dbraw/zinc/30/47/76/177304776.db2.gz JRELUWRJPGIAAF-JTQLQIEISA-N 0 1 208.330 2.019 20 0 BEADMN C[C@H]1CSCCN1Cc1ccccn1 ZINC000172435376 177305226 /nfs/dbraw/zinc/30/52/26/177305226.db2.gz CSUPLKLUPMZMLK-JTQLQIEISA-N 0 1 208.330 2.019 20 0 BEADMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CN(C)C ZINC000360710821 177309318 /nfs/dbraw/zinc/30/93/18/177309318.db2.gz HCXZLHCDMBRJOH-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1C[C@H](CC[N@@H+](C)CC(=O)[O-])C[C@@H](C)C1 ZINC000246737449 177318013 /nfs/dbraw/zinc/31/80/13/177318013.db2.gz YSYJZJDCQFZFRV-GDNZZTSVSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000352308634 177342633 /nfs/dbraw/zinc/34/26/33/177342633.db2.gz YNCAYNDFUWEGAE-JGVFFNPUSA-N 0 1 246.270 2.049 20 0 BEADMN C[C@H]1C[C@@H]1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000284335040 177350162 /nfs/dbraw/zinc/35/01/62/177350162.db2.gz QSUYVUMVPKFOOZ-WKEGUHRASA-N 0 1 249.701 2.355 20 0 BEADMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)CN(C)C ZINC000360710820 177354997 /nfs/dbraw/zinc/35/49/97/177354997.db2.gz HCXZLHCDMBRJOH-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1CC[C@H](Nc2ccncc2C(N)=O)[C@@H](C)C1 ZINC000302217880 177356775 /nfs/dbraw/zinc/35/67/75/177356775.db2.gz KLYAMWOMGKIQJY-SCVCMEIPSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccon1 ZINC000339089466 177371450 /nfs/dbraw/zinc/37/14/50/177371450.db2.gz QJEJDRPJMIOMQC-LMLFDSFASA-N 0 1 224.304 2.281 20 0 BEADMN C[C@H]1C[C@H](NCc2cnnn2C)c2ccccc21 ZINC000267532222 177371875 /nfs/dbraw/zinc/37/18/75/177371875.db2.gz SYLWYHKOPFWQTA-HZMBPMFUSA-N 0 1 242.326 2.153 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1 ZINC000336435952 177373826 /nfs/dbraw/zinc/37/38/26/177373826.db2.gz CGBZWMITRPDYRO-CABZTGNLSA-N 0 1 225.719 2.295 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](O)C2)o1 ZINC000294876354 177387478 /nfs/dbraw/zinc/38/74/78/177387478.db2.gz PSILAZRLLIHIMV-UXCLJVHYSA-N 0 1 221.300 2.016 20 0 BEADMN CCc1ncc(CNC(=O)C2(C)CCCC2)[nH]1 ZINC001652461613 1173082827 /nfs/dbraw/zinc/08/28/27/1173082827.db2.gz ZFTKEDXCYXBVDA-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN Cc1cscc1CNC[C@@H](O)C(F)(F)F ZINC000087310698 487640072 /nfs/dbraw/zinc/64/00/72/487640072.db2.gz MLRWSOBMNYHAOH-MRVPVSSYSA-N 0 1 239.262 2.069 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CC=CCC2)[nH]1 ZINC001652463796 1173087057 /nfs/dbraw/zinc/08/70/57/1173087057.db2.gz OLXGAQWJICZBGD-LLVKDONJSA-N 0 1 247.342 2.335 20 0 BEADMN COC[C@]1(C)CCN(Cc2nc(C)c(C)o2)C1 ZINC000487052674 225284709 /nfs/dbraw/zinc/28/47/09/225284709.db2.gz XYSUSEMLDRMAPE-CYBMUJFWSA-N 0 1 238.331 2.150 20 0 BEADMN C[C@H]1CN(CCCOC(C)(C)C)[C@@H](C)CO1 ZINC000674902802 487647797 /nfs/dbraw/zinc/64/77/97/487647797.db2.gz ODZGPORUXMPWLC-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@H]1CN(CCCOC(C)(C)C)[C@H](C)CO1 ZINC000674902803 487648179 /nfs/dbraw/zinc/64/81/79/487648179.db2.gz ODZGPORUXMPWLC-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H]1CN(CCCOC(C)(C)C)CCO1 ZINC000674903177 487648066 /nfs/dbraw/zinc/64/80/66/487648066.db2.gz UDRFXMWNZKGWHN-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCOc1ccccc1 ZINC000079486908 487648780 /nfs/dbraw/zinc/64/87/80/487648780.db2.gz NMAKFAYKYOWVCU-AWEZNQCLSA-N 0 1 249.310 2.005 20 0 BEADMN C[C@H]1CCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000494449945 226265634 /nfs/dbraw/zinc/26/56/34/226265634.db2.gz CLKJHEURVGXPJJ-NSHDSACASA-N 0 1 238.331 2.051 20 0 BEADMN COCCN(Cc1ccc(C)cn1)C1CC1 ZINC000507165793 226366119 /nfs/dbraw/zinc/36/61/19/226366119.db2.gz AOLSJPDNVZTUIW-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CCc1nocc1CN(C)[C@@H]1CCSC1 ZINC000507187221 226366677 /nfs/dbraw/zinc/36/66/77/226366677.db2.gz JHSPCYDIWGGWSD-SNVBAGLBSA-N 0 1 226.345 2.174 20 0 BEADMN CC[C@@H]1COCCN1CCCOC(C)(C)C ZINC000674909096 487652135 /nfs/dbraw/zinc/65/21/35/487652135.db2.gz XMHCUUCITAGQGC-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC(C)C1 ZINC000557481758 322938129 /nfs/dbraw/zinc/93/81/29/322938129.db2.gz QYABJLGUQXWMBJ-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)CN(C)C ZINC000275089336 487666610 /nfs/dbraw/zinc/66/66/10/487666610.db2.gz GMRWSPKLPCQBJX-HNNXBMFYSA-N 0 1 248.370 2.404 20 0 BEADMN C[C@H](c1ccc(F)cc1)N(C)Cc1nnc[nH]1 ZINC000174808807 229395258 /nfs/dbraw/zinc/39/52/58/229395258.db2.gz WBFIBUKKXAGKBV-SECBINFHSA-N 0 1 234.278 2.137 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC000680928669 487672841 /nfs/dbraw/zinc/67/28/41/487672841.db2.gz IQPGSWJBKAZLPW-VIFPVBQESA-N 0 1 223.320 2.017 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000054053199 487678906 /nfs/dbraw/zinc/67/89/06/487678906.db2.gz WCKRQOVZWPLDHC-ZETCQYMHSA-N 0 1 221.235 2.156 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000675225740 487681720 /nfs/dbraw/zinc/68/17/20/487681720.db2.gz JDRCUYVXEOOFJD-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2C[C@@H](C)O)co1 ZINC000383958253 487683717 /nfs/dbraw/zinc/68/37/17/487683717.db2.gz HIWWBZGIERAMIT-MFKMUULPSA-N 0 1 238.331 2.108 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1F ZINC000659799990 487684154 /nfs/dbraw/zinc/68/41/54/487684154.db2.gz LQRIAAUJONZSTK-QWRGUYRKSA-N 0 1 249.285 2.366 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660142335 487685297 /nfs/dbraw/zinc/68/52/97/487685297.db2.gz UZGHFGSKPZIRAJ-GRYCIOLGSA-N 0 1 219.332 2.278 20 0 BEADMN CCC(C)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000680996654 487689495 /nfs/dbraw/zinc/68/94/95/487689495.db2.gz JHRGKLPCZGXBIZ-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(F)cn1 ZINC000527974822 262901234 /nfs/dbraw/zinc/90/12/34/262901234.db2.gz PLTHKPMFXPDQFU-WQAKAFBOSA-N 0 1 238.306 2.439 20 0 BEADMN CCO[C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000681021274 487698993 /nfs/dbraw/zinc/69/89/93/487698993.db2.gz SGVAYXIKXQWYIU-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN CC1(C)OCC[C@H]1NCc1ncccc1Cl ZINC000528516577 262940815 /nfs/dbraw/zinc/94/08/15/262940815.db2.gz KSECKMWLQCIOJT-LLVKDONJSA-N 0 1 240.734 2.392 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1ncccc1Cl ZINC000528444295 262948652 /nfs/dbraw/zinc/94/86/52/262948652.db2.gz WDEPXJBXENLPLN-LLVKDONJSA-N 0 1 242.750 2.232 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683789988 487700399 /nfs/dbraw/zinc/70/03/99/487700399.db2.gz UOURRAWROALPAA-POYBYMJQSA-N 0 1 233.246 2.297 20 0 BEADMN CCC(C)(CC)C(=O)NCc1cc(C)[nH]n1 ZINC000681046523 487704027 /nfs/dbraw/zinc/70/40/27/487704027.db2.gz MPVYYAINFUTYMW-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN Cc1cnn(C)c1CN[C@H](C)c1cnccc1C ZINC000671718099 487705644 /nfs/dbraw/zinc/70/56/44/487705644.db2.gz JIWFOJIRIJADSJ-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nc(C)c(CN(C)[C@@H]2CCSC2)o1 ZINC000683898941 487710800 /nfs/dbraw/zinc/71/08/00/487710800.db2.gz AABAPZITOQCJNK-SNVBAGLBSA-N 0 1 226.345 2.229 20 0 BEADMN O=c1cc(CN2CCC3(CCC3)CC2)occ1O ZINC000671728895 487711287 /nfs/dbraw/zinc/71/12/87/487711287.db2.gz YCSDTJDODPKKBG-UHFFFAOYSA-N 0 1 249.310 2.112 20 0 BEADMN COCCCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000228706042 487716709 /nfs/dbraw/zinc/71/67/09/487716709.db2.gz SDDIHRABRKNTTH-UHFFFAOYSA-N 0 1 249.310 2.127 20 0 BEADMN COC/C(C)=C\CN1CCC[C@@H](F)C1 ZINC000902991710 584709769 /nfs/dbraw/zinc/70/97/69/584709769.db2.gz ZJJFRRZLRJAINK-GULOHRGCSA-N 0 1 201.285 2.013 20 0 BEADMN CCc1nnc(SCc2ccc(C)nc2)[nH]1 ZINC000675414912 487724132 /nfs/dbraw/zinc/72/41/32/487724132.db2.gz JGRMAOOWDANDSR-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2ccc(C)nc2)n1 ZINC000675414912 487724137 /nfs/dbraw/zinc/72/41/37/487724137.db2.gz JGRMAOOWDANDSR-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000681120431 487732800 /nfs/dbraw/zinc/73/28/00/487732800.db2.gz GOQRSKPUZHRGOG-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2CCC[C@H]2C)n[nH]1 ZINC000681120433 487733047 /nfs/dbraw/zinc/73/30/47/487733047.db2.gz GOQRSKPUZHRGOG-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN CCC(CC)(CC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000675475521 487739048 /nfs/dbraw/zinc/73/90/48/487739048.db2.gz JFFLKANSSVINLS-SECBINFHSA-N 0 1 238.335 2.198 20 0 BEADMN COc1coc(CN(C)CCC(C)C)cc1=O ZINC000675488251 487740409 /nfs/dbraw/zinc/74/04/09/487740409.db2.gz GTKXQVFEGSZYFU-UHFFFAOYSA-N 0 1 239.315 2.126 20 0 BEADMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccncc1 ZINC000679051641 487741975 /nfs/dbraw/zinc/74/19/75/487741975.db2.gz XTXUTBVEWVDCRX-LLVKDONJSA-N 0 1 244.342 2.401 20 0 BEADMN Fc1cccc(Cc2nc([C@@H]3CCCN3)no2)c1 ZINC000071396544 487744696 /nfs/dbraw/zinc/74/46/96/487744696.db2.gz FCBWSGKPFQMIKL-NSHDSACASA-N 0 1 247.273 2.224 20 0 BEADMN COc1c(C)cccc1CNC1CSC1 ZINC000076673219 487745026 /nfs/dbraw/zinc/74/50/26/487745026.db2.gz VJMLEFKEEHAEAD-UHFFFAOYSA-N 0 1 223.341 2.209 20 0 BEADMN Cc1cn[nH]c1CN1CCc2ccsc2C1 ZINC000290328586 487751247 /nfs/dbraw/zinc/75/12/47/487751247.db2.gz CIKPFIJCDIEFAD-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN CC(C)CN(CC(C)(C)C)C(=O)[C@H](C)N(C)C ZINC000675605362 487752086 /nfs/dbraw/zinc/75/20/86/487752086.db2.gz FOYZOUKPGAFNNS-LBPRGKRZSA-N 0 1 242.407 2.467 20 0 BEADMN Cc1cc(C)cc([C@H](C)NC(=O)[C@H](C)N(C)C)c1 ZINC000674264255 487760189 /nfs/dbraw/zinc/76/01/89/487760189.db2.gz SQOMIZQVUMFLMD-STQMWFEESA-N 0 1 248.370 2.431 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@@H]1NCC(F)(F)CN ZINC000414927118 487763168 /nfs/dbraw/zinc/76/31/68/487763168.db2.gz LAIYKAMBTKPJSZ-UWVGGRQHSA-N 0 1 234.334 2.385 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)C1(N(C)C)CC1 ZINC000668923728 487766577 /nfs/dbraw/zinc/76/65/77/487766577.db2.gz FDBRWDLDUONWFM-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000675720277 487769416 /nfs/dbraw/zinc/76/94/16/487769416.db2.gz VEIDQNNVDURBPI-RFZPGFLSSA-N 0 1 233.193 2.023 20 0 BEADMN Cc1c(Cl)cnn1CN(C)CC(C)C ZINC000753793642 585269017 /nfs/dbraw/zinc/26/90/17/585269017.db2.gz FIAUEPDPFPUEMQ-UHFFFAOYSA-N 0 1 215.728 2.390 20 0 BEADMN COc1cc(CN2C[C@H](C)C[C@H](C)C2)on1 ZINC000659828942 487777361 /nfs/dbraw/zinc/77/73/61/487777361.db2.gz KRDIIYUVKMFDKK-AOOOYVTPSA-N 0 1 224.304 2.161 20 0 BEADMN CCCCCc1cc(C(=O)N(C)C2CC2)n[nH]1 ZINC000666267314 487777729 /nfs/dbraw/zinc/77/77/29/487777729.db2.gz YHGLPGFZXTUXLT-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@H]1C1CCCC1)N(C)C ZINC000674286916 487777925 /nfs/dbraw/zinc/77/79/25/487777925.db2.gz HPEVFRSLHFEPAE-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCN(CCc2cccnc2)C[C@@H]1F ZINC000679217592 487781608 /nfs/dbraw/zinc/78/16/08/487781608.db2.gz AASKWMGOGVAYNS-AAEUAGOBSA-N 0 1 222.307 2.304 20 0 BEADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000162104291 487781623 /nfs/dbraw/zinc/78/16/23/487781623.db2.gz PVQCLQXIUQTZQL-LLVKDONJSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ncccc1C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000385664240 487794217 /nfs/dbraw/zinc/79/42/17/487794217.db2.gz CQGBUGZYCFFXGY-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN COCC1(N(C)Cc2ccc(C)nc2C)CC1 ZINC000681407143 487794914 /nfs/dbraw/zinc/79/49/14/487794914.db2.gz ONCMXDJPQJOSEG-UHFFFAOYSA-N 0 1 234.343 2.309 20 0 BEADMN COCCC1CN(Cc2cc3cccnc3o2)C1 ZINC000668471795 487795775 /nfs/dbraw/zinc/79/57/75/487795775.db2.gz LKCQRKQFKRIRLK-UHFFFAOYSA-N 0 1 246.310 2.296 20 0 BEADMN CCC(C)(CC)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000681001946 487797080 /nfs/dbraw/zinc/79/70/80/487797080.db2.gz WPUVPEVWFDNJPM-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN FCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976684 487798467 /nfs/dbraw/zinc/79/84/67/487798467.db2.gz PJQGGDJWFWXUHM-UHFFFAOYSA-N 0 1 233.290 2.322 20 0 BEADMN CCc1ccc(C)nc1NC1CSC1 ZINC000668477526 487803339 /nfs/dbraw/zinc/80/33/39/487803339.db2.gz BHRVYNHVBHMQOW-UHFFFAOYSA-N 0 1 208.330 2.480 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000651646333 487810884 /nfs/dbraw/zinc/81/08/84/487810884.db2.gz ZVEKXJFTCPVYKX-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC(C)(C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000651646333 487810889 /nfs/dbraw/zinc/81/08/89/487810889.db2.gz ZVEKXJFTCPVYKX-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](NCc1nccs1)[C@H](O)C(C)C ZINC000666446711 487811774 /nfs/dbraw/zinc/81/17/74/487811774.db2.gz HSHGBALAOKJVEL-GXSJLCMTSA-N 0 1 228.361 2.028 20 0 BEADMN CCc1ccccc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000676271254 487833072 /nfs/dbraw/zinc/83/30/72/487833072.db2.gz DPSPLLARINWXPS-CYBMUJFWSA-N 0 1 246.354 2.073 20 0 BEADMN CCCn1nccc1CN1[C@H](C)C[C@@H]1C ZINC000668090927 487833165 /nfs/dbraw/zinc/83/31/65/487833165.db2.gz WKQHQPPZIFCCSA-PHIMTYICSA-N 0 1 207.321 2.276 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000666579400 487834509 /nfs/dbraw/zinc/83/45/09/487834509.db2.gz IKERUXBUEKKSND-ONGXEEELSA-N 0 1 239.340 2.228 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1ccnn1CC1CC1 ZINC000668090545 487835111 /nfs/dbraw/zinc/83/51/11/487835111.db2.gz NCWJXWWCHXRGRR-PHIMTYICSA-N 0 1 219.332 2.276 20 0 BEADMN CO[C@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000681670968 487835890 /nfs/dbraw/zinc/83/58/90/487835890.db2.gz RIAQIBYLMSLPHP-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000666588594 487836207 /nfs/dbraw/zinc/83/62/07/487836207.db2.gz HSQJBADTJQRXMV-JTQLQIEISA-N 0 1 241.356 2.474 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N1CCCN(C)CC1 ZINC000496904335 528478292 /nfs/dbraw/zinc/47/82/92/528478292.db2.gz UWMRMZZDNZSWDI-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000666588595 487836618 /nfs/dbraw/zinc/83/66/18/487836618.db2.gz HSQJBADTJQRXMV-SNVBAGLBSA-N 0 1 241.356 2.474 20 0 BEADMN Cc1ncc([C@H](C)N(C)C2CC2)c(C)n1 ZINC000681673039 487837311 /nfs/dbraw/zinc/83/73/11/487837311.db2.gz OYTMFYQXXAYGAU-VIFPVBQESA-N 0 1 205.305 2.249 20 0 BEADMN FC1(F)C[C@]12CCN(C/C=C/Cl)C2 ZINC000844472278 588198119 /nfs/dbraw/zinc/19/81/19/588198119.db2.gz WBURKICYZPRVDV-LKVYWMSASA-N 0 1 207.651 2.470 20 0 BEADMN CCOC1CC(CSc2nnc(CC)[nH]2)C1 ZINC000505439689 528504679 /nfs/dbraw/zinc/50/46/79/528504679.db2.gz ZKBTUVRSTDDQBT-UHFFFAOYSA-N 0 1 241.360 2.274 20 0 BEADMN CCOC1CC(CSc2nc(CC)n[nH]2)C1 ZINC000505439689 528504683 /nfs/dbraw/zinc/50/46/83/528504683.db2.gz ZKBTUVRSTDDQBT-UHFFFAOYSA-N 0 1 241.360 2.274 20 0 BEADMN FC(F)(F)C1CN(CC[C@@H]2CCCO2)C1 ZINC000558399498 322949437 /nfs/dbraw/zinc/94/94/37/322949437.db2.gz RJWNFGJIMJWVIT-VIFPVBQESA-N 0 1 223.238 2.050 20 0 BEADMN CC/C=C/CCN(CCF)CCOC ZINC000852481034 588684185 /nfs/dbraw/zinc/68/41/85/588684185.db2.gz GCANWGZEPLCPRZ-SNAWJCMRSA-N 0 1 203.301 2.261 20 0 BEADMN CCc1noc(CN2CC[C@@H]3CCC[C@H]32)n1 ZINC000681710988 487846346 /nfs/dbraw/zinc/84/63/46/487846346.db2.gz ANEAUYGCNPKKPF-VHSXEESVSA-N 0 1 221.304 2.006 20 0 BEADMN O=c1cc(C2CC2)[nH]n1Cc1ccccc1 ZINC000109279547 487856379 /nfs/dbraw/zinc/85/63/79/487856379.db2.gz ODLRYGQBKYGJRT-UHFFFAOYSA-N 0 1 214.268 2.185 20 0 BEADMN COc1nccnc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911585 487859805 /nfs/dbraw/zinc/85/98/05/487859805.db2.gz KDKGAIMTPAZVQJ-WDEREUQCSA-N 0 1 249.358 2.400 20 0 BEADMN CCn1ccnc1CNC(C)(C)CSC ZINC000934668234 641239111 /nfs/dbraw/zinc/23/91/11/641239111.db2.gz AYAMXJWNQJBENR-UHFFFAOYSA-N 0 1 227.377 2.134 20 0 BEADMN C[N@@H+](CCCCF)C1(C(=O)[O-])CCCC1 ZINC000379948772 487875206 /nfs/dbraw/zinc/87/52/06/487875206.db2.gz DOWWJPVSTFEAPH-UHFFFAOYSA-N 0 1 217.284 2.065 20 0 BEADMN O=C(c1cc(-c2ccoc2)[nH]n1)N1CC=CCC1 ZINC000679301009 487882755 /nfs/dbraw/zinc/88/27/55/487882755.db2.gz ZYKLJUQDSCFUTH-UHFFFAOYSA-N 0 1 243.266 2.072 20 0 BEADMN CCNC(=O)CN(CC)[C@@H]1CCc2ccccc21 ZINC000676631780 487883646 /nfs/dbraw/zinc/88/36/46/487883646.db2.gz FJKKZGCLGKLWHC-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN CCCNC(=O)CN(C)C(C)(C)c1ccccc1 ZINC000671246580 487891373 /nfs/dbraw/zinc/89/13/73/487891373.db2.gz KVSGBPQBMVAFGA-UHFFFAOYSA-N 0 1 248.370 2.380 20 0 BEADMN COC[C@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682070909 487891726 /nfs/dbraw/zinc/89/17/26/487891726.db2.gz GNQGUWDGUWZSDM-HIFRSBDPSA-N 0 1 247.338 2.021 20 0 BEADMN Fc1ccc2c(c1)CN([C@H]1CCCOC1)CC2 ZINC000676709508 487897513 /nfs/dbraw/zinc/89/75/13/487897513.db2.gz LDPVKXXKYDNJTI-AWEZNQCLSA-N 0 1 235.302 2.363 20 0 BEADMN CCc1noc(C)c1CN1CCCOC[C@H]1C ZINC000676711776 487899391 /nfs/dbraw/zinc/89/93/91/487899391.db2.gz IALOLAYCNHUTIG-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1F ZINC000229260385 487899815 /nfs/dbraw/zinc/89/98/15/487899815.db2.gz KAKKNGSTXMRRJK-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN Cc1ccc(CN2CCCOC[C@@H]2C)nc1 ZINC000676714971 487903590 /nfs/dbraw/zinc/90/35/90/487903590.db2.gz ZQVPRNKRWBIJLD-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000083406935 487907315 /nfs/dbraw/zinc/90/73/15/487907315.db2.gz ARPXFJQALQGARK-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN CCC(CC)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000083405084 487907338 /nfs/dbraw/zinc/90/73/38/487907338.db2.gz PAEWNTPYBUZUPJ-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](c1ccccc1)n1cc(CNC2CC2)nn1 ZINC000090297600 487928441 /nfs/dbraw/zinc/92/84/41/487928441.db2.gz OFQJAPDLEISSDH-LLVKDONJSA-N 0 1 242.326 2.139 20 0 BEADMN COc1ccc(CN2CC=CCC2)cc1O ZINC000679358231 487935482 /nfs/dbraw/zinc/93/54/82/487935482.db2.gz FPFWIEQLSAFUMK-UHFFFAOYSA-N 0 1 219.284 2.163 20 0 BEADMN Cc1cc(CNC(=O)NCC2=CCCCC2)n[nH]1 ZINC000652372948 487935004 /nfs/dbraw/zinc/93/50/04/487935004.db2.gz FWRSRVXQWWGTPK-UHFFFAOYSA-N 0 1 248.330 2.018 20 0 BEADMN C[C@H](O)CCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000682244120 487935005 /nfs/dbraw/zinc/93/50/05/487935005.db2.gz OUSNWWHLHNZGSG-JTQLQIEISA-N 0 1 246.310 2.148 20 0 BEADMN CC(C)CC[N@@H+](C)[C@H](C(=O)[O-])c1cccnc1 ZINC000652388684 487942814 /nfs/dbraw/zinc/94/28/14/487942814.db2.gz SIIWIBZXUIGPDE-LBPRGKRZSA-N 0 1 236.315 2.185 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000049219797 487945464 /nfs/dbraw/zinc/94/54/64/487945464.db2.gz KBMYDJPXNVXPOV-JGVFFNPUSA-N 0 1 247.273 2.088 20 0 BEADMN C[C@H](CC(=O)NCCN1CCC1)CC(C)(C)C ZINC000676948316 487948191 /nfs/dbraw/zinc/94/81/91/487948191.db2.gz GEVDQOWCKZCHFI-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)n[nH]1 ZINC000354702972 487953427 /nfs/dbraw/zinc/95/34/27/487953427.db2.gz GRECBRGUZNOJFM-OUAUKWLOSA-N 0 1 249.358 2.479 20 0 BEADMN CC(C)C1CN(C(=O)c2ccc3cncn3c2)C1 ZINC000670813089 487955617 /nfs/dbraw/zinc/95/56/17/487955617.db2.gz UMEJBVPDRNNWBS-UHFFFAOYSA-N 0 1 243.310 2.062 20 0 BEADMN C[C@H](NC(=O)c1ccc2cncn2c1)C1CCC1 ZINC000670813850 487957079 /nfs/dbraw/zinc/95/70/79/487957079.db2.gz HYROGXUWGPBKKU-JTQLQIEISA-N 0 1 243.310 2.253 20 0 BEADMN Cc1nsc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403710595 322993215 /nfs/dbraw/zinc/99/32/15/322993215.db2.gz XCOMKOGYACRSJN-BBBLOLIVSA-N 0 1 223.345 2.117 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1cscn1 ZINC000300360089 322995437 /nfs/dbraw/zinc/99/54/37/322995437.db2.gz SZCFTFKSDSIUSB-PEXQALLHSA-N 0 1 238.356 2.361 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCC[C@@H](C)C1 ZINC000245631642 323007002 /nfs/dbraw/zinc/00/70/02/323007002.db2.gz VINGPGKSMCRQGJ-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1ncc(-c2ccccc2)o1 ZINC000566792455 323014517 /nfs/dbraw/zinc/01/45/17/323014517.db2.gz XQOLRMSBTHWZJJ-GHMZBOCLSA-N 0 1 246.310 2.201 20 0 BEADMN CC1CCC([N@@H+](C)CC2(C(=O)[O-])CC2)CC1 ZINC000564738782 323015867 /nfs/dbraw/zinc/01/58/67/323015867.db2.gz OOIQOESNNWCLHI-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN CCCCN(CC)[C@@H](C)c1nccc(N)n1 ZINC000562444384 323020050 /nfs/dbraw/zinc/02/00/50/323020050.db2.gz PUFQVAHVDXDKOG-JTQLQIEISA-N 0 1 222.336 2.072 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc2cccnc2o1 ZINC000562518554 323022760 /nfs/dbraw/zinc/02/27/60/323022760.db2.gz MVGRNWSUTREFOL-NEPJUHHUSA-N 0 1 232.283 2.095 20 0 BEADMN CC(C)CN(Cc1nncn1C)CC(C)(C)C ZINC000134468899 323024293 /nfs/dbraw/zinc/02/42/93/323024293.db2.gz NFGBJUPBQVROML-UHFFFAOYSA-N 0 1 238.379 2.319 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NOC1CCCC1 ZINC000224463867 323036678 /nfs/dbraw/zinc/03/66/78/323036678.db2.gz XMROIXFWZNXUSU-KLBPJQLPSA-N 0 1 241.331 2.036 20 0 BEADMN CCO[C@@H](CC)c1nc(C2(N)CCCC2)no1 ZINC000569722712 323038743 /nfs/dbraw/zinc/03/87/43/323038743.db2.gz CTXUYXGWAFPCTC-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN C[C@H]1CN(CCCN(C)c2ccccc2)CCO1 ZINC000569807988 323040951 /nfs/dbraw/zinc/04/09/51/323040951.db2.gz ZCFFYYDXMNSFDP-AWEZNQCLSA-N 0 1 248.370 2.234 20 0 BEADMN CCCN(C(=O)[C@H]1CCCc2[nH]ncc21)C(C)C ZINC000569864642 323043041 /nfs/dbraw/zinc/04/30/41/323043041.db2.gz CKHTYUFQVIRKSU-NSHDSACASA-N 0 1 249.358 2.477 20 0 BEADMN CO[C@H]1CCC[N@@H+](CCc2cccc(C)n2)C1 ZINC000569923672 323044678 /nfs/dbraw/zinc/04/46/78/323044678.db2.gz MRTXTRGCIZLTII-AWEZNQCLSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)[C@@H](C)CC(C)C ZINC000570000790 323047020 /nfs/dbraw/zinc/04/70/20/323047020.db2.gz YEBZNCWFLJUJBO-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)CC(C)C ZINC000570000791 323047030 /nfs/dbraw/zinc/04/70/30/323047030.db2.gz YEBZNCWFLJUJBO-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN O=C([O-])C[N@@H+](C1CCC1)[C@@H]1C=CCCC1 ZINC000570106819 323050199 /nfs/dbraw/zinc/05/01/99/323050199.db2.gz HOXGREPWNYIYSK-SNVBAGLBSA-N 0 1 209.289 2.034 20 0 BEADMN CC1=C(C)CN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000570107685 323050260 /nfs/dbraw/zinc/05/02/60/323050260.db2.gz TVCASYKJFIYVFS-NSHDSACASA-N 0 1 247.342 2.157 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1cncnc1C ZINC000570176053 323052167 /nfs/dbraw/zinc/05/21/67/323052167.db2.gz NSRSDILNTWOMIB-MRVPVSSYSA-N 0 1 248.355 2.401 20 0 BEADMN CCCC1(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC000570343086 323056584 /nfs/dbraw/zinc/05/65/84/323056584.db2.gz ONGFHYFZKQHYLT-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000159985861 323056659 /nfs/dbraw/zinc/05/66/59/323056659.db2.gz CQSQISPXVYMPKH-TXEJJXNPSA-N 0 1 246.310 2.012 20 0 BEADMN O=C([O-])C[N@@H+](CCCc1ccsc1)C1CC1 ZINC000570456887 323060325 /nfs/dbraw/zinc/06/03/25/323060325.db2.gz QCMOVRKPNICNKH-UHFFFAOYSA-N 0 1 239.340 2.230 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC(C)(C)C ZINC000155526664 323062611 /nfs/dbraw/zinc/06/26/11/323062611.db2.gz IBCZDLLPDAQRHT-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)CC(=O)[O-] ZINC000570583317 323064062 /nfs/dbraw/zinc/06/40/62/323064062.db2.gz DJTMLYJBZYQKCB-JTQLQIEISA-N 0 1 239.290 2.429 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncnc2C)ccn1 ZINC000570649977 323066149 /nfs/dbraw/zinc/06/61/49/323066149.db2.gz NSMDKXKZHBPWJL-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1Cc2ccccc21 ZINC000570818223 323071476 /nfs/dbraw/zinc/07/14/76/323071476.db2.gz OZTIAQURGCUVFV-JQWIXIFHSA-N 0 1 233.311 2.121 20 0 BEADMN Cc1nnsc1CN1CCCC(C)(C)C1 ZINC000570850383 323072486 /nfs/dbraw/zinc/07/24/86/323072486.db2.gz YOAFBXOFYRWXJP-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccccn1 ZINC000570943043 323076266 /nfs/dbraw/zinc/07/62/66/323076266.db2.gz PZMIPWSATFCQMI-MDZLAQPJSA-N 0 1 248.326 2.155 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2C)C[C@H](C)O1 ZINC000563045543 323082094 /nfs/dbraw/zinc/08/20/94/323082094.db2.gz XGBQGOVPPFPZTP-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN CO[C@@H]([C@H](C)NCc1ncc(C)s1)C1CC1 ZINC000394738407 323096763 /nfs/dbraw/zinc/09/67/63/323096763.db2.gz VPAZEXCCPIIIRE-CABZTGNLSA-N 0 1 240.372 2.355 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000570957611 323101685 /nfs/dbraw/zinc/10/16/85/323101685.db2.gz DAJQTXLGGOPBPB-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CS[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000563281567 323107963 /nfs/dbraw/zinc/10/79/63/323107963.db2.gz COLMPGMVKWXFJM-WDEREUQCSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000563282070 323108001 /nfs/dbraw/zinc/10/80/01/323108001.db2.gz MNJNAOWZIOCIEH-DGCLKSJQSA-N 0 1 248.326 2.329 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1CC(F)(F)C1 ZINC000563281826 323108110 /nfs/dbraw/zinc/10/81/10/323108110.db2.gz CWKLJCYBCSUXIY-UHFFFAOYSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1ccc(CC[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000563289932 323108908 /nfs/dbraw/zinc/10/89/08/323108908.db2.gz SENPIZPOKYFHKT-TZMCWYRMSA-N 0 1 247.338 2.333 20 0 BEADMN FCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000531713904 323112097 /nfs/dbraw/zinc/11/20/97/323112097.db2.gz CRQZHYXWNSMTKH-VIFPVBQESA-N 0 1 243.244 2.389 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CCCCC1 ZINC000563367199 323121517 /nfs/dbraw/zinc/12/15/17/323121517.db2.gz DOLNIZZBXSABLO-LLVKDONJSA-N 0 1 249.358 2.379 20 0 BEADMN CCC(O)(CC)C(C)(C)CNCc1ncc[nH]1 ZINC000563438448 323125605 /nfs/dbraw/zinc/12/56/05/323125605.db2.gz GQFCRBCGWCAACB-UHFFFAOYSA-N 0 1 239.363 2.077 20 0 BEADMN CC[C@H](NCc1nc(C)c(C)[nH]1)[C@H]1CCCO1 ZINC000563441346 323126760 /nfs/dbraw/zinc/12/67/60/323126760.db2.gz WHQIFRPDGJNLHX-NWDGAFQWSA-N 0 1 237.347 2.074 20 0 BEADMN CC[N@@H+](CC1CC1)C1CCC(C(=O)[O-])CC1 ZINC000563452507 323126933 /nfs/dbraw/zinc/12/69/33/323126933.db2.gz WZSSRJVRXFQYJQ-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C(C)(C)C ZINC000563547632 323129733 /nfs/dbraw/zinc/12/97/33/323129733.db2.gz MWQDOTBMSAYINA-VHSXEESVSA-N 0 1 237.347 2.139 20 0 BEADMN Cc1cccnc1C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000563638608 323133328 /nfs/dbraw/zinc/13/33/28/323133328.db2.gz UOUIQELFVRVJSA-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ccc(CN2CC[C@H](OC(F)F)C2)o1 ZINC000571302522 323140813 /nfs/dbraw/zinc/14/08/13/323140813.db2.gz PXLATCCIVKRTPY-JTQLQIEISA-N 0 1 231.242 2.402 20 0 BEADMN CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000049428966 323160676 /nfs/dbraw/zinc/16/06/76/323160676.db2.gz SSOJFVVFFBJTMF-GFCCVEGCSA-N 0 1 245.282 2.373 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@@H](C2CC2)C1 ZINC000535014107 323162822 /nfs/dbraw/zinc/16/28/22/323162822.db2.gz NMWJOQRMYOQTCB-LLVKDONJSA-N 0 1 233.315 2.179 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CCCSC ZINC000075620978 323169766 /nfs/dbraw/zinc/16/97/66/323169766.db2.gz JOFXAEVBWNRNJO-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN CC[C@H]1CN(CC2(F)CC2)CCS1 ZINC000306214999 323172082 /nfs/dbraw/zinc/17/20/82/323172082.db2.gz YJOPGDWCRNBCFW-VIFPVBQESA-N 0 1 203.326 2.316 20 0 BEADMN c1ccc(CCN2CCOC[C@H]2C2CCC2)nc1 ZINC000563709440 323174720 /nfs/dbraw/zinc/17/47/20/323174720.db2.gz WVVYRXNEYYEJBM-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN CCOC(=O)CN(CC)CC1(C)CCC1 ZINC000308902152 323180992 /nfs/dbraw/zinc/18/09/92/323180992.db2.gz KMNBQBVIAATBCK-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1ncn(C)n1 ZINC000391947376 323183599 /nfs/dbraw/zinc/18/35/99/323183599.db2.gz XOYLIEUSJGHSJO-KXNHARMFSA-N 0 1 236.363 2.290 20 0 BEADMN CC[C@@H]1CCC[C@H](N[C@H](C)c2ncn(C)n2)C1 ZINC000391955924 323183642 /nfs/dbraw/zinc/18/36/42/323183642.db2.gz WJSPQOZISWSFNV-UTUOFQBUSA-N 0 1 236.363 2.435 20 0 BEADMN CC[C@@H](NCc1csnn1)[C@H]1CC1(C)C ZINC000398398414 323185554 /nfs/dbraw/zinc/18/55/54/323185554.db2.gz VJZMEQIPAFCNTJ-NXEZZACHSA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1Cc1nncn1C ZINC000535567942 323185840 /nfs/dbraw/zinc/18/58/40/323185840.db2.gz WFKBSXGUWGDXAJ-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN Nc1ccnc(CN2CCCC3(CCCC3)C2)n1 ZINC000526084893 323188823 /nfs/dbraw/zinc/18/88/23/323188823.db2.gz YDIYYIJQNUWBJU-UHFFFAOYSA-N 0 1 246.358 2.045 20 0 BEADMN Cc1nnc(CN(C)C2CCC(C)CC2)n1C ZINC000051802038 323191696 /nfs/dbraw/zinc/19/16/96/323191696.db2.gz NYDNJCVJPAISBQ-UHFFFAOYSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1cccc2nc(C[N@H+](C)C3CC3)cn21 ZINC000051902316 323191819 /nfs/dbraw/zinc/19/18/19/323191819.db2.gz QXEGSYNFTJOFND-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN Cc1cccc2nc(CN(C)C3CC3)cn21 ZINC000051902316 323191820 /nfs/dbraw/zinc/19/18/20/323191820.db2.gz QXEGSYNFTJOFND-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN CC[C@@H](F)C[N@@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164692 323204808 /nfs/dbraw/zinc/20/48/08/323204808.db2.gz BTFLZFKPHRGXLL-LDYMZIIASA-N 0 1 241.262 2.012 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164692 323204809 /nfs/dbraw/zinc/20/48/09/323204809.db2.gz BTFLZFKPHRGXLL-LDYMZIIASA-N 0 1 241.262 2.012 20 0 BEADMN CC[C@@H](C)N(C)Cc1ccoc1C(=O)OC ZINC000104686731 323285540 /nfs/dbraw/zinc/28/55/40/323285540.db2.gz NBPQXMKHBPCQNN-SECBINFHSA-N 0 1 225.288 2.297 20 0 BEADMN c1cc(CN2CC[C@@H]2Cc2ccccc2)on1 ZINC000532647184 323286513 /nfs/dbraw/zinc/28/65/13/323286513.db2.gz BTICMSOJBJKVBL-CYBMUJFWSA-N 0 1 228.295 2.492 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000309134996 323319395 /nfs/dbraw/zinc/31/93/95/323319395.db2.gz CURHMBHPNODAEA-VXGBXAGGSA-N 0 1 223.316 2.282 20 0 BEADMN C[N@@H+](CCC(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC000309186588 323325294 /nfs/dbraw/zinc/32/52/94/323325294.db2.gz BLHYOJBHLRCADL-UHFFFAOYSA-N 0 1 239.237 2.268 20 0 BEADMN CC[C@]1(C)CCN([C@@H](C)c2nccc(N)n2)C1 ZINC000565156417 323326367 /nfs/dbraw/zinc/32/63/67/323326367.db2.gz IJDZGCZBGMTKKT-GXFFZTMASA-N 0 1 234.347 2.072 20 0 BEADMN Cc1cccc(CNCc2ccc(C)nn2)c1 ZINC000396609975 323349817 /nfs/dbraw/zinc/34/98/17/323349817.db2.gz FIDNLHUULQKWHY-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1occc1CN[C@@H](C)c1cn[nH]c1 ZINC000321108988 323376838 /nfs/dbraw/zinc/37/68/38/323376838.db2.gz UJEOLGCAYPAZIG-QMMMGPOBSA-N 0 1 205.261 2.162 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cccc2c1OCO2 ZINC000527783157 323689373 /nfs/dbraw/zinc/68/93/73/323689373.db2.gz GMIGEWOQQNIMTE-OCCSQVGLSA-N 0 1 249.310 2.072 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cncc(F)c1 ZINC000527783557 323690636 /nfs/dbraw/zinc/69/06/36/323690636.db2.gz ZEYSFRWXHHTEHS-WQAKAFBOSA-N 0 1 238.306 2.439 20 0 BEADMN Clc1cnc(CNCC23CC(C2)CO3)s1 ZINC000527788319 323693985 /nfs/dbraw/zinc/69/39/85/323693985.db2.gz FVNVOSBBQOYUGK-UHFFFAOYSA-N 0 1 244.747 2.065 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1nccnc1C ZINC000527975808 323738427 /nfs/dbraw/zinc/73/84/27/323738427.db2.gz BKYDRZXYEOUFJK-LOWVWBTDSA-N 0 1 235.331 2.003 20 0 BEADMN CCc1nc(NC(=O)C=Cc2ccccc2)n[nH]1 ZINC000123230874 324099853 /nfs/dbraw/zinc/09/98/53/324099853.db2.gz OOWIMMDGFVZVGU-CMDGGOBGSA-N 0 1 242.282 2.019 20 0 BEADMN CCc1n[nH]c(NC(=O)C=Cc2ccccc2)n1 ZINC000123230874 324099856 /nfs/dbraw/zinc/09/98/56/324099856.db2.gz OOWIMMDGFVZVGU-CMDGGOBGSA-N 0 1 242.282 2.019 20 0 BEADMN CCN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000073599957 324114363 /nfs/dbraw/zinc/11/43/63/324114363.db2.gz ZXSKTSDNHHGOMK-CYBMUJFWSA-N 0 1 248.370 2.375 20 0 BEADMN COC[C@H]1CN(CCC2=CCCCC2)CCO1 ZINC000450436802 324141841 /nfs/dbraw/zinc/14/18/41/324141841.db2.gz RNGOWRIXFVWFBE-CQSZACIVSA-N 0 1 239.359 2.224 20 0 BEADMN COCC1CCC(NCC(F)F)CC1 ZINC000459538754 324147912 /nfs/dbraw/zinc/14/79/12/324147912.db2.gz BSHOVHQKBDEXGM-UHFFFAOYSA-N 0 1 207.264 2.046 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000529447081 324301367 /nfs/dbraw/zinc/30/13/67/324301367.db2.gz XSYBRBNZFRLCCW-VIFPVBQESA-N 0 1 229.320 2.036 20 0 BEADMN CCC[C@@H](C(=O)Nc1ncsc1C)N(C)C ZINC000529550344 324338489 /nfs/dbraw/zinc/33/84/89/324338489.db2.gz LRIZZBZGKCETHT-VIFPVBQESA-N 0 1 241.360 2.120 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2C2CC2)n1 ZINC000529554608 324340980 /nfs/dbraw/zinc/34/09/80/324340980.db2.gz HRURZEIFXXZERG-ULCXWNMLSA-N 0 1 235.331 2.463 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOCC3)ccn1 ZINC000529601887 324360740 /nfs/dbraw/zinc/36/07/40/324360740.db2.gz GFEOFVFAKAWNRJ-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1csc([C@H](C)NCC2=CCCOC2)n1 ZINC000124687766 324623137 /nfs/dbraw/zinc/62/31/37/324623137.db2.gz JLOVJWBAGBZLKY-JTQLQIEISA-N 0 1 238.356 2.449 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC(CCO)CC2)o1 ZINC000538953916 324816312 /nfs/dbraw/zinc/81/63/12/324816312.db2.gz MSLSTIFDSXUUHB-LLVKDONJSA-N 0 1 238.331 2.138 20 0 BEADMN CC[C@H](O)CCCN[C@@H](C)c1cscn1 ZINC000130197545 325023261 /nfs/dbraw/zinc/02/32/61/325023261.db2.gz BIFINKSJLDNJIA-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN Cn1nccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000130222488 325025981 /nfs/dbraw/zinc/02/59/81/325025981.db2.gz MMPRWUSWHAFADD-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN COc1cc(F)ccc1NC(=O)c1cn[nH]c1C ZINC000070982995 325048876 /nfs/dbraw/zinc/04/88/76/325048876.db2.gz PTMOLVGIRSQRKF-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COc1ccccc1[C@@H](CO)N[C@@H]1C=CCCC1 ZINC000543840578 325116717 /nfs/dbraw/zinc/11/67/17/325116717.db2.gz WEIZTMHMSMUALA-TZMCWYRMSA-N 0 1 247.338 2.427 20 0 BEADMN Cn1c(CNC2(C3CC3)CC2)nnc1C1CCC1 ZINC000544415405 325142304 /nfs/dbraw/zinc/14/23/04/325142304.db2.gz PWJIWHAZIDLJEF-UHFFFAOYSA-N 0 1 246.358 2.115 20 0 BEADMN C[C@]1(CO)CCCN1Cc1nc2ccccc2o1 ZINC000544759519 325158324 /nfs/dbraw/zinc/15/83/24/325158324.db2.gz IWJJYDPQYXGVSK-CQSZACIVSA-N 0 1 246.310 2.175 20 0 BEADMN C[C@@H](c1cnccn1)N1C[C@@H](C)S[C@H](C)C1 ZINC000545230455 325197316 /nfs/dbraw/zinc/19/73/16/325197316.db2.gz CLMKMWZEULOZBN-MXWKQRLJSA-N 0 1 237.372 2.363 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC1 ZINC000132188935 325203601 /nfs/dbraw/zinc/20/36/01/325203601.db2.gz UJRPNXXPZVIKHM-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000073599924 325205537 /nfs/dbraw/zinc/20/55/37/325205537.db2.gz CWZXBETVTZJICQ-CHWSQXEVSA-N 0 1 248.370 2.422 20 0 BEADMN Cc1noc(C)c1CCN(C)Cc1cccnc1 ZINC000132367088 325212980 /nfs/dbraw/zinc/21/29/80/325212980.db2.gz ORFOFAYGXLYEAN-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)OC(C)(C)C ZINC000073873181 325215477 /nfs/dbraw/zinc/21/54/77/325215477.db2.gz XKEPXADHRGGGBV-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccc(F)cc1F ZINC000545396233 325218261 /nfs/dbraw/zinc/21/82/61/325218261.db2.gz DJZWXEAWBASPTR-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CC(C)(C)OCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000133273742 325281108 /nfs/dbraw/zinc/28/11/08/325281108.db2.gz PRIWJVMKCCKZKG-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H](NC(C)(C)c1cnn(C)c1)c1cccnc1 ZINC000546704614 325303079 /nfs/dbraw/zinc/30/30/79/325303079.db2.gz FVOCSPLOASCWLM-NSHDSACASA-N 0 1 244.342 2.401 20 0 BEADMN CCc1nnc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075768899 325311322 /nfs/dbraw/zinc/31/13/22/325311322.db2.gz JHMTUEASLKVEPR-MNOVXSKESA-N 0 1 235.331 2.397 20 0 BEADMN CCc1cnc(CN[C@H](CCO)C(C)(C)C)o1 ZINC000546933027 325319007 /nfs/dbraw/zinc/31/90/07/325319007.db2.gz XRPYMXPNYXXWOJ-LLVKDONJSA-N 0 1 240.347 2.124 20 0 BEADMN CCc1nnc(COc2cc(C)nc(C)c2)o1 ZINC000547491969 325363647 /nfs/dbraw/zinc/36/36/47/325363647.db2.gz KRYZZJYKRIMSLB-UHFFFAOYSA-N 0 1 233.271 2.223 20 0 BEADMN C[C@H](C(=O)N1CCC(C)CC1)N1[C@H](C)C[C@@H]1C ZINC000547768529 325394302 /nfs/dbraw/zinc/39/43/02/325394302.db2.gz VUVGPEZTFVDGQQ-FRRDWIJNSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)N(C(=O)CN1[C@H](C)C[C@@H]1C)C(C)C ZINC000547770456 325395490 /nfs/dbraw/zinc/39/54/90/325395490.db2.gz BSLINILKYOCGTF-TXEJJXNPSA-N 0 1 226.364 2.115 20 0 BEADMN COC[C@H](N[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000548789575 325484837 /nfs/dbraw/zinc/48/48/37/325484837.db2.gz CTFXEAPMPFFBCF-AAEUAGOBSA-N 0 1 239.363 2.050 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCOC2)o1 ZINC000246141858 325546349 /nfs/dbraw/zinc/54/63/49/325546349.db2.gz BDOOGNXWZPANSW-SCVCMEIPSA-N 0 1 221.300 2.282 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000552918661 325669467 /nfs/dbraw/zinc/66/94/67/325669467.db2.gz DOZMIZUZOFBMDN-QWHCGFSZSA-N 0 1 240.391 2.268 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(F)cc(OC)c1 ZINC000565579198 325930361 /nfs/dbraw/zinc/93/03/61/325930361.db2.gz WZRHJCKYUSJJBT-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN CC(C)C(NC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC000654928014 487971183 /nfs/dbraw/zinc/97/11/83/487971183.db2.gz SUYKWIXGOLWOGV-GFCCVEGCSA-N 0 1 240.391 2.125 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@H](C)C(F)(F)F ZINC000566683359 326074237 /nfs/dbraw/zinc/07/42/37/326074237.db2.gz AGCUXPGOWPPRLO-YUMQZZPRSA-N 0 1 241.253 2.370 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(F)F ZINC000566361910 326037367 /nfs/dbraw/zinc/03/73/67/326037367.db2.gz OJGBUHAKRXOCIJ-SECBINFHSA-N 0 1 237.290 2.463 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1CC1(C(=O)[O-])CC1 ZINC000566361773 326037602 /nfs/dbraw/zinc/03/76/02/326037602.db2.gz NFYDDFCTJWBMSO-UWVGGRQHSA-N 0 1 211.305 2.114 20 0 BEADMN O=C([O-])CCC[N@H+]1CCSC2(CCC2)CC1 ZINC000566509390 326060591 /nfs/dbraw/zinc/06/05/91/326060591.db2.gz DALLWBGVLWYBQU-UHFFFAOYSA-N 0 1 243.372 2.213 20 0 BEADMN CC(C)(C)c1nnc(CNC2(C3CC3)CC2)[nH]1 ZINC000566539861 326062591 /nfs/dbraw/zinc/06/25/91/326062591.db2.gz GCGQVIVLSHQALI-UHFFFAOYSA-N 0 1 234.347 2.134 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])C[C@@H]1C ZINC000566587849 326066342 /nfs/dbraw/zinc/06/63/42/326066342.db2.gz KWJPWDOKGHQQBU-MNOVXSKESA-N 0 1 220.316 2.265 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])C[C@@H]1C ZINC000566587849 326066344 /nfs/dbraw/zinc/06/63/44/326066344.db2.gz KWJPWDOKGHQQBU-MNOVXSKESA-N 0 1 220.316 2.265 20 0 BEADMN FC1(CN2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000566595627 326066855 /nfs/dbraw/zinc/06/68/55/326066855.db2.gz FGLNMEKXPCOBRC-GFCCVEGCSA-N 0 1 227.323 2.380 20 0 BEADMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000566860253 326089613 /nfs/dbraw/zinc/08/96/13/326089613.db2.gz ISRJIPXGQZCSIW-YPMHNXCESA-N 0 1 248.326 2.329 20 0 BEADMN Cc1nsc(C)c1CN(C)CC(C)(C)CO ZINC000566982611 326100341 /nfs/dbraw/zinc/10/03/41/326100341.db2.gz YMYPMPIBQBKMGH-UHFFFAOYSA-N 0 1 242.388 2.210 20 0 BEADMN C[C@@H](c1ccccn1)N(C)Cc1ncccc1O ZINC000567000634 326100809 /nfs/dbraw/zinc/10/08/09/326100809.db2.gz KAQKDGHKVCILPA-NSHDSACASA-N 0 1 243.310 2.375 20 0 BEADMN CC[C@H]1CCCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000567120538 326119644 /nfs/dbraw/zinc/11/96/44/326119644.db2.gz FUMPSGLNMWZJES-RYUDHWBXSA-N 0 1 248.374 2.462 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@H](C)C2)n1C1CC1 ZINC000154669355 326156462 /nfs/dbraw/zinc/15/64/62/326156462.db2.gz AETQVEHKRMPTBT-PHIMTYICSA-N 0 1 248.374 2.399 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCC1 ZINC000310536609 326194906 /nfs/dbraw/zinc/19/49/06/326194906.db2.gz RIROLPQVWKWPGA-SDDRHHMPSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1nc2ccccn2c1CSc1c[nH]nn1 ZINC000155931206 326214773 /nfs/dbraw/zinc/21/47/73/326214773.db2.gz DLVGGGRTYKVPDD-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1ccncc1C ZINC000567608899 326227876 /nfs/dbraw/zinc/22/78/76/326227876.db2.gz UHRNYRGZJWHAAF-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567867083 326273208 /nfs/dbraw/zinc/27/32/08/326273208.db2.gz GAHMPUVSTYFYOK-QJPTWQEYSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567867130 326273308 /nfs/dbraw/zinc/27/33/08/326273308.db2.gz HJNMAFVKAYKADT-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1[C@H](C)C[C@H]1C ZINC000567930391 326284874 /nfs/dbraw/zinc/28/48/74/326284874.db2.gz FJSXZYGXQCJYTI-MXWKQRLJSA-N 0 1 213.321 2.057 20 0 BEADMN CCc1ncc(CN2CCC2(C)C)cn1 ZINC000568051167 326300841 /nfs/dbraw/zinc/30/08/41/326300841.db2.gz HNGOWOBSBFZGCC-UHFFFAOYSA-N 0 1 205.305 2.023 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@]1(C)C(=O)[O-] ZINC000568075718 326304943 /nfs/dbraw/zinc/30/49/43/326304943.db2.gz ZHXMPBVTEDWIEC-MDZLAQPJSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCCC(C)(C)C1 ZINC000568169054 326318890 /nfs/dbraw/zinc/31/88/90/326318890.db2.gz AFADRVBLXCJZJG-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN Cc1cccc2c1cc[nH+]c2N1CC(C(=O)[O-])C1 ZINC000568268726 326337467 /nfs/dbraw/zinc/33/74/67/326337467.db2.gz HLFXAIDKFWDZDE-UHFFFAOYSA-N 0 1 242.278 2.064 20 0 BEADMN C[C@@H]1CN(CCSCC2CC2)C[C@H](C)O1 ZINC000568270495 326338292 /nfs/dbraw/zinc/33/82/92/326338292.db2.gz HXGVWXARABHWNX-PHIMTYICSA-N 0 1 229.389 2.239 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCC1 ZINC000158851057 326344508 /nfs/dbraw/zinc/34/45/08/326344508.db2.gz VUOCOKCAEPGNBM-UHFFFAOYSA-N 0 1 221.304 2.078 20 0 BEADMN CC(C)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000158937419 326346161 /nfs/dbraw/zinc/34/61/61/326346161.db2.gz FPOFAUCVFZDCJZ-UHFFFAOYSA-N 0 1 233.311 2.399 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCCC(F)(F)F ZINC000568522508 326358378 /nfs/dbraw/zinc/35/83/78/326358378.db2.gz XABMUDKVHFVEJB-ZETCQYMHSA-N 0 1 227.226 2.124 20 0 BEADMN CSCCN(C)Cc1ccc2c(n1)CCC2 ZINC000568482848 326358796 /nfs/dbraw/zinc/35/87/96/326358796.db2.gz BUVPRYHLGWCZKI-UHFFFAOYSA-N 0 1 236.384 2.365 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)[C@H](C)N1CC(C)C1 ZINC000569018646 326387078 /nfs/dbraw/zinc/38/70/78/326387078.db2.gz BYGDOFCOOGOAKB-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCCOCC(F)F ZINC000682532825 487978830 /nfs/dbraw/zinc/97/88/30/487978830.db2.gz GDCMJUXISZYTDE-SSDOTTSWSA-N 0 1 248.273 2.224 20 0 BEADMN CCN1CCN(C(=O)Nc2ccccc2)C[C@H]1C ZINC000677141634 487982050 /nfs/dbraw/zinc/98/20/50/487982050.db2.gz GZTWZNUAELQZKQ-GFCCVEGCSA-N 0 1 247.342 2.245 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666027482 487986448 /nfs/dbraw/zinc/98/64/48/487986448.db2.gz RZDGHVVWMYBBHK-WDEREUQCSA-N 0 1 249.358 2.018 20 0 BEADMN CCN1CCN(C(=O)c2ccccc2C)C[C@@H]1C ZINC000677177426 487991995 /nfs/dbraw/zinc/99/19/95/487991995.db2.gz NIZGWSMPTKSYAX-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CC[N@@H+]([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000677193236 487994061 /nfs/dbraw/zinc/99/40/61/487994061.db2.gz XGEXIHPGFCZGJW-STQMWFEESA-N 0 1 233.359 2.169 20 0 BEADMN Cc1ccc(CNC(=O)C2(N(C)C)CC2)c(C)c1 ZINC000666055523 487999958 /nfs/dbraw/zinc/99/99/58/487999958.db2.gz ZFUMBWJILDQTGR-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN COCCCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000310113847 488005518 /nfs/dbraw/zinc/00/55/18/488005518.db2.gz SEIXHCIKSYACFJ-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC[C@H](C)CC1)N(C)C ZINC000682365313 488011931 /nfs/dbraw/zinc/01/19/31/488011931.db2.gz ATDZFSASDFRUQV-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](O)CN[C@@H](C)c1nc(C)sc1C ZINC000229966304 488016605 /nfs/dbraw/zinc/01/66/05/488016605.db2.gz PVYLZDKJDRLMGR-XVKPBYJWSA-N 0 1 228.361 2.181 20 0 BEADMN C=C/C(C)=C\CC(=O)NCCCc1cn[nH]c1C ZINC000682696092 488021337 /nfs/dbraw/zinc/02/13/37/488021337.db2.gz SKCQVJGIZHYSDC-XFFZJAGNSA-N 0 1 247.342 2.289 20 0 BEADMN CC(C)c1cc(C(=O)Nc2cnoc2)on1 ZINC000603657290 488023530 /nfs/dbraw/zinc/02/35/30/488023530.db2.gz ORRSLOLLVRUUTI-UHFFFAOYSA-N 0 1 221.216 2.038 20 0 BEADMN C[C@@H](NC(=O)C1(N(C)C)CC1)C1CCCCC1 ZINC000669136007 488024161 /nfs/dbraw/zinc/02/41/61/488024161.db2.gz OSCPLFOCWABKMX-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1ccc(CN)o1 ZINC001332013132 974921301 /nfs/dbraw/zinc/92/13/01/974921301.db2.gz NETSKZQFEAKYDJ-JTQLQIEISA-N 0 1 238.331 2.294 20 0 BEADMN CN(C)C1(C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000669141809 488026437 /nfs/dbraw/zinc/02/64/37/488026437.db2.gz JEEJKJGVRMXFPH-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[N@@H+](CC)Cc1ccc(C(=O)[O-])o1 ZINC000037095284 488027262 /nfs/dbraw/zinc/02/72/62/488027262.db2.gz ROOMIUJJXRRKOA-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccc(OC)cc2)no1 ZINC000044625997 488029288 /nfs/dbraw/zinc/02/92/88/488029288.db2.gz PPXBFKSIDBCVCR-LLVKDONJSA-N 0 1 247.298 2.416 20 0 BEADMN CC[C@H](NC)c1nc(-c2cccc(OC)c2)no1 ZINC000044626012 488029822 /nfs/dbraw/zinc/02/98/22/488029822.db2.gz OONCFRNMVPTBFG-NSHDSACASA-N 0 1 247.298 2.416 20 0 BEADMN Cc1nc([C@H](C)NCCOCCF)c(C)s1 ZINC000663461759 488030707 /nfs/dbraw/zinc/03/07/07/488030707.db2.gz HQDXJDPZRUAREC-QMMMGPOBSA-N 0 1 246.351 2.397 20 0 BEADMN Cc1cccc(CNCc2cc(C)ncn2)c1 ZINC000677424895 488034546 /nfs/dbraw/zinc/03/45/46/488034546.db2.gz CDMYKWUDAXLPHR-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)nc1C ZINC000318906048 488035237 /nfs/dbraw/zinc/03/52/37/488035237.db2.gz RHCQGUZOWFUEAJ-SNVBAGLBSA-N 0 1 244.298 2.173 20 0 BEADMN C[C@H](CO)[N@@H+](C)Cc1nccc2ccccc21 ZINC000685458871 488036989 /nfs/dbraw/zinc/03/69/89/488036989.db2.gz FYMUWBFPPNCJFK-LLVKDONJSA-N 0 1 230.311 2.047 20 0 BEADMN Cc1ccc(F)c(CN(C)C[C@H](O)C2CC2)c1 ZINC000685461473 488039205 /nfs/dbraw/zinc/03/92/05/488039205.db2.gz NCWQJBXJUFTZBO-AWEZNQCLSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1ccc(CN(C)CC2=CCCOC2)nc1 ZINC000682788762 488041590 /nfs/dbraw/zinc/04/15/90/488041590.db2.gz YIRNUGQIAKTFDF-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN CC[C@H]1CCCN1Cc1cn(C2CCC2)nn1 ZINC000667544254 488041410 /nfs/dbraw/zinc/04/14/10/488041410.db2.gz AXDYDTYIQLTCJD-LBPRGKRZSA-N 0 1 234.347 2.378 20 0 BEADMN Cc1ncc(CN2CCC(C(F)F)CC2)n1C ZINC000667645525 488068897 /nfs/dbraw/zinc/06/88/97/488068897.db2.gz RJMRCMHKWANEPA-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN CC(C)=CCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000682951131 488070736 /nfs/dbraw/zinc/07/07/36/488070736.db2.gz ZBAJQFAVFOHIHD-UHFFFAOYSA-N 0 1 247.342 2.375 20 0 BEADMN CC[C@@H](C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1)OC ZINC000396999903 488072001 /nfs/dbraw/zinc/07/20/01/488072001.db2.gz DWCXNHDWTNGQTH-ZDUSSCGKSA-N 0 1 249.310 2.125 20 0 BEADMN Cc1ncc(CN2CCSC(C)(C)C2)n1C ZINC000667651162 488074480 /nfs/dbraw/zinc/07/44/80/488074480.db2.gz NPEIGVKSGRQTBX-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN C(CC1CCCCC1)NCc1nnnn1C1CC1 ZINC000682997456 488081544 /nfs/dbraw/zinc/08/15/44/488081544.db2.gz QMZLEVHZGWRCTM-UHFFFAOYSA-N 0 1 249.362 2.068 20 0 BEADMN C[C@@H](C[NH+](C)C)[N-]c1nc(-c2ccccc2)no1 ZINC000672345016 488088634 /nfs/dbraw/zinc/08/86/34/488088634.db2.gz SBVJBGYORWPSMC-JTQLQIEISA-N 0 1 246.314 2.099 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@@H]3C[C@@H]3C2)c(C)[nH]1 ZINC000661970434 488093685 /nfs/dbraw/zinc/09/36/85/488093685.db2.gz LOXWWTFMHDZKFT-VXGBXAGGSA-N 0 1 232.327 2.156 20 0 BEADMN Cc1cn[nH]c1CNCc1cc(C(C)C)no1 ZINC000685616086 488094625 /nfs/dbraw/zinc/09/46/25/488094625.db2.gz AJGMLLQZSSMMLX-UHFFFAOYSA-N 0 1 234.303 2.119 20 0 BEADMN Cc1ccnc(CN2CCOCC3(CC3)C2)c1 ZINC000683022916 488097822 /nfs/dbraw/zinc/09/78/22/488097822.db2.gz ZREIHLNVXGJTMZ-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1c(Cl)c(CN2CC[C@H]3C[C@H]3C2)nn1C ZINC000668678794 488104616 /nfs/dbraw/zinc/10/46/16/488104616.db2.gz RLPWYHQYYSSVRX-UWVGGRQHSA-N 0 1 239.750 2.224 20 0 BEADMN Cc1cc(CN(C(C)C)[C@@H]2CCOC2)nc(C)n1 ZINC000660596034 488106311 /nfs/dbraw/zinc/10/63/11/488106311.db2.gz IWBULRIUVSMPFO-CQSZACIVSA-N 0 1 249.358 2.093 20 0 BEADMN Clc1cccnc1N[C@@H]1CCN(C2CC2)C1 ZINC000044725828 488110653 /nfs/dbraw/zinc/11/06/53/488110653.db2.gz JPZBBJJGYISZAH-SECBINFHSA-N 0 1 237.734 2.384 20 0 BEADMN FC1(F)CC2(CN(CCOCC3CC3)C2)C1 ZINC000677733445 488111889 /nfs/dbraw/zinc/11/18/89/488111889.db2.gz OTRCZEFFQDQLOH-UHFFFAOYSA-N 0 1 231.286 2.144 20 0 BEADMN COc1cccc(CN2CC[C@@H](C(F)F)C2)n1 ZINC000677735875 488113660 /nfs/dbraw/zinc/11/36/60/488113660.db2.gz VKBAUELODMSMJQ-SECBINFHSA-N 0 1 242.269 2.177 20 0 BEADMN CC(C)(C)OCCCN1CCOC[C@@H]1C1CC1 ZINC000677737258 488115170 /nfs/dbraw/zinc/11/51/70/488115170.db2.gz QRMAOXKDCAJJSG-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)(C)OCCCN1CCOC[C@H]1C1CC1 ZINC000677737259 488116142 /nfs/dbraw/zinc/11/61/42/488116142.db2.gz QRMAOXKDCAJJSG-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H](c1ccncc1)N1CC[C@H](OC(F)F)C1 ZINC000670108110 488117020 /nfs/dbraw/zinc/11/70/20/488117020.db2.gz GWZKGSBVFRFMDU-KOLCDFICSA-N 0 1 242.269 2.456 20 0 BEADMN CN[C@@H](C)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000258469475 488119312 /nfs/dbraw/zinc/11/93/12/488119312.db2.gz DSRSOTHLZHDXOI-QMMMGPOBSA-N 0 1 236.706 2.201 20 0 BEADMN CC[C@H](N[C@@H](CC)c1ccccc1F)C(N)=O ZINC000379185439 488122438 /nfs/dbraw/zinc/12/24/38/488122438.db2.gz RAGHMBJZNXOPOH-RYUDHWBXSA-N 0 1 238.306 2.130 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C1CC1 ZINC000094529147 487539143 /nfs/dbraw/zinc/53/91/43/487539143.db2.gz GFFNRIFRFNPODW-SNVBAGLBSA-N 0 1 233.311 2.469 20 0 BEADMN CC(C)(C)CCCNC(=O)CCc1cnc[nH]1 ZINC000526005743 487539304 /nfs/dbraw/zinc/53/93/04/487539304.db2.gz XCOVDILKPVLQIR-UHFFFAOYSA-N 0 1 237.347 2.285 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000086728973 487539483 /nfs/dbraw/zinc/53/94/83/487539483.db2.gz PFOYESCPLHMVAP-GXTWGEPZSA-N 0 1 245.322 2.471 20 0 BEADMN CC(C)N(C(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000674264380 487540640 /nfs/dbraw/zinc/54/06/40/487540640.db2.gz VOZKNGWPKCFFAH-NSHDSACASA-N 0 1 226.364 2.116 20 0 BEADMN C[C@@H](C(=O)N1CCCCc2ccccc21)N(C)C ZINC000674263182 487540704 /nfs/dbraw/zinc/54/07/04/487540704.db2.gz BFVYIKJKYWADMU-LBPRGKRZSA-N 0 1 246.354 2.306 20 0 BEADMN CCc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)o1 ZINC000086734447 487541067 /nfs/dbraw/zinc/54/10/67/487541067.db2.gz NRTJNVVDWAGCGW-UHFFFAOYSA-N 0 1 237.299 2.139 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN1CCc2nn[nH]c2C1 ZINC000668790857 487542034 /nfs/dbraw/zinc/54/20/34/487542034.db2.gz FPUHGIQCGMCROG-VXGBXAGGSA-N 0 1 246.358 2.155 20 0 BEADMN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000674266371 487542166 /nfs/dbraw/zinc/54/21/66/487542166.db2.gz RQHVMLOAAUGULC-ZDUSSCGKSA-N 0 1 248.370 2.374 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668790514 487542877 /nfs/dbraw/zinc/54/28/77/487542877.db2.gz AHHDDTYCRRCTCD-VXGBXAGGSA-N 0 1 248.374 2.379 20 0 BEADMN CC[C@H]1CCC[C@@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668790512 487543077 /nfs/dbraw/zinc/54/30/77/487543077.db2.gz AHHDDTYCRRCTCD-NWDGAFQWSA-N 0 1 248.374 2.379 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1ccc(CN)o1 ZINC000094573298 487543710 /nfs/dbraw/zinc/54/37/10/487543710.db2.gz VRESJUHRIDVGHY-JTQLQIEISA-N 0 1 238.331 2.247 20 0 BEADMN CCOC1CCN(Cc2oc(C)nc2C)CC1 ZINC000685562093 487543857 /nfs/dbraw/zinc/54/38/57/487543857.db2.gz SXZVRXGSUSDJOZ-UHFFFAOYSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@H](C[N@@H+](C)C/C=C\c1ccccc1)C(=O)[O-] ZINC000210499374 487544500 /nfs/dbraw/zinc/54/45/00/487544500.db2.gz GMOGINHDPBWFIB-OJIASSBASA-N 0 1 233.311 2.352 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(CN)o1 ZINC000094572818 487544568 /nfs/dbraw/zinc/54/45/68/487544568.db2.gz YBDUQJQUWKMCJS-UWVGGRQHSA-N 0 1 238.331 2.293 20 0 BEADMN COc1ccc2c(c1)CC[N@@H+](C(C)C)C2 ZINC000074448464 487544929 /nfs/dbraw/zinc/54/49/29/487544929.db2.gz KPXJJHUJNHOSMO-UHFFFAOYSA-N 0 1 205.301 2.462 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@H](C)N(C)C)cc2o1 ZINC000674285548 487545212 /nfs/dbraw/zinc/54/52/12/487545212.db2.gz IKFLZZVOJBZLCL-QMMMGPOBSA-N 0 1 247.298 2.025 20 0 BEADMN Cc1cc(C)c(CNC(=O)[C@H](C)N(C)C)c(C)c1 ZINC000674285538 487545865 /nfs/dbraw/zinc/54/58/65/487545865.db2.gz HJIONLKVZZZHBD-ZDUSSCGKSA-N 0 1 248.370 2.178 20 0 BEADMN Cc1nc(C)c(CN2CCSC[C@H]2C)o1 ZINC000685564924 487546567 /nfs/dbraw/zinc/54/65/67/487546567.db2.gz WZYDZBSWTRAQNK-MRVPVSSYSA-N 0 1 226.345 2.229 20 0 BEADMN CC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000674287700 487548102 /nfs/dbraw/zinc/54/81/02/487548102.db2.gz XQXSLTWGAYQHDL-WCQYABFASA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)N(C)C ZINC000674288391 487548148 /nfs/dbraw/zinc/54/81/48/487548148.db2.gz DOXFEJGMAKVOGS-AVGNSLFASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000674288857 487549515 /nfs/dbraw/zinc/54/95/15/487549515.db2.gz NWIUCSDUNGITBH-UHTWSYAYSA-N 0 1 238.375 2.022 20 0 BEADMN CCCC[C@@H](CCC)NC(=O)[C@H](C)N(C)C ZINC000674289523 487550378 /nfs/dbraw/zinc/55/03/78/487550378.db2.gz OEHJFIDBKWILHP-NWDGAFQWSA-N 0 1 228.380 2.412 20 0 BEADMN CC[C@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680259479 487552226 /nfs/dbraw/zinc/55/22/26/487552226.db2.gz FQBCRARDBQWFCI-VIFPVBQESA-N 0 1 221.304 2.132 20 0 BEADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000135035004 487554967 /nfs/dbraw/zinc/55/49/67/487554967.db2.gz KKJMTANUWYLRFZ-QMMMGPOBSA-N 0 1 235.274 2.074 20 0 BEADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000135035004 487554969 /nfs/dbraw/zinc/55/49/69/487554969.db2.gz KKJMTANUWYLRFZ-QMMMGPOBSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000086789965 487556527 /nfs/dbraw/zinc/55/65/27/487556527.db2.gz IJNAQMGCUTVENL-LLVKDONJSA-N 0 1 237.274 2.041 20 0 BEADMN C[C@@H](C(=O)N[C@H](c1ccccc1)C1CC1)N(C)C ZINC000674244503 487533323 /nfs/dbraw/zinc/53/33/23/487533323.db2.gz HBTWVBJTXHITFX-SMDDNHRTSA-N 0 1 246.354 2.204 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000668226244 487485560 /nfs/dbraw/zinc/48/55/60/487485560.db2.gz HMBZXTBGOMIVJK-AAEUAGOBSA-N 0 1 248.326 2.209 20 0 BEADMN CCC[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000670764914 487485847 /nfs/dbraw/zinc/48/58/47/487485847.db2.gz SWOOZZJBAQOLBI-JTQLQIEISA-N 0 1 231.299 2.253 20 0 BEADMN CCCN(C)CC(=O)Nc1ncc(Cl)s1 ZINC000673938158 487486189 /nfs/dbraw/zinc/48/61/89/487486189.db2.gz NIDAMAOYZVLCOE-UHFFFAOYSA-N 0 1 247.751 2.077 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cn1 ZINC000405566524 487486370 /nfs/dbraw/zinc/48/63/70/487486370.db2.gz VIEVRNJLHJAVIE-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CCCNC(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000050341184 487494575 /nfs/dbraw/zinc/49/45/75/487494575.db2.gz WQCXADFIONSGHU-ZJUUUORDSA-N 0 1 240.372 2.313 20 0 BEADMN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000050341181 487494648 /nfs/dbraw/zinc/49/46/48/487494648.db2.gz WQCXADFIONSGHU-NXEZZACHSA-N 0 1 240.372 2.313 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCOc2ccccc2C1 ZINC000063012889 487506270 /nfs/dbraw/zinc/50/62/70/487506270.db2.gz PMNICHKLLIZGNC-UHFFFAOYSA-N 0 1 249.310 2.136 20 0 BEADMN C[C@H](Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000674048460 487503982 /nfs/dbraw/zinc/50/39/82/487503982.db2.gz RJJITDCSNVPUAQ-JTQLQIEISA-N 0 1 228.299 2.478 20 0 BEADMN Cc1ncccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000381340237 487504940 /nfs/dbraw/zinc/50/49/40/487504940.db2.gz KJZNPJLYPAXNPT-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)n1ccc(C[C@@H](C)NCc2cocn2)n1 ZINC000679992617 487511113 /nfs/dbraw/zinc/51/11/13/487511113.db2.gz KXKHDLNNROMDQW-LLVKDONJSA-N 0 1 248.330 2.173 20 0 BEADMN Cc1cc(CNc2ccnc(C(C)(C)C)n2)n[nH]1 ZINC000674065850 487507528 /nfs/dbraw/zinc/50/75/28/487507528.db2.gz JPHZKLXGOFKHIX-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000295904723 487515639 /nfs/dbraw/zinc/51/56/39/487515639.db2.gz XVOQCRINXKMECA-AWEZNQCLSA-N 0 1 249.358 2.379 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000680019414 487518719 /nfs/dbraw/zinc/51/87/19/487518719.db2.gz YYLGXKBMLOTTJR-LBPRGKRZSA-N 0 1 237.274 2.437 20 0 BEADMN CN(Cc1cccn1C)CC1=CCSC1 ZINC000668775171 487520922 /nfs/dbraw/zinc/52/09/22/487520922.db2.gz HBQDKMOEGUACGC-UHFFFAOYSA-N 0 1 222.357 2.130 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CC2)[C@H](C)C1 ZINC000668710955 488152583 /nfs/dbraw/zinc/15/25/83/488152583.db2.gz NNDGCXPOWURVDU-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000031945129 487534249 /nfs/dbraw/zinc/53/42/49/487534249.db2.gz MNGIBRPPHUHRTD-MRVPVSSYSA-N 0 1 240.328 2.073 20 0 BEADMN Cn1nc(CNCc2cc[nH]c2)c2ccccc21 ZINC000680545802 487614653 /nfs/dbraw/zinc/61/46/53/487614653.db2.gz ZWUDROJQJSDWRD-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN c1cc(CCC[N@@H+]2CC=CCC2)ccn1 ZINC000680887901 487666152 /nfs/dbraw/zinc/66/61/52/487666152.db2.gz XOOCIOVOTBGEMB-UHFFFAOYSA-N 0 1 202.301 2.276 20 0 BEADMN CC[C@@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048297879 487898899 /nfs/dbraw/zinc/89/88/99/487898899.db2.gz RQCSXLTUBVFEFS-SSDOTTSWSA-N 0 1 235.262 2.230 20 0 BEADMN Cc1ncc([C@@H](C)N2CCC(C)(O)CC2)c(C)n1 ZINC000682075042 487899402 /nfs/dbraw/zinc/89/94/02/487899402.db2.gz XIOXKLHFODBKTH-LLVKDONJSA-N 0 1 249.358 2.001 20 0 BEADMN [O-]c1cccc2c(NCc3cc[nH]n3)cc[nH+]c12 ZINC000682662887 488008288 /nfs/dbraw/zinc/00/82/88/488008288.db2.gz YZPXKXUDMMBNCN-UHFFFAOYSA-N 0 1 240.266 2.276 20 0 BEADMN CN1Cc2ccccc2[C@@H](Nc2cccnn2)C1 ZINC000677420252 488031762 /nfs/dbraw/zinc/03/17/62/488031762.db2.gz BWCWJJUZABNGHK-ZDUSSCGKSA-N 0 1 240.310 2.075 20 0 BEADMN CO[C@@H](C)CN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000672337920 488065075 /nfs/dbraw/zinc/06/50/75/488065075.db2.gz QNIAOHROKNRBDS-JTQLQIEISA-N 0 1 246.310 2.412 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1 ZINC000403415430 488123547 /nfs/dbraw/zinc/12/35/47/488123547.db2.gz VEUPFIASZNXCTQ-BBBLOLIVSA-N 0 1 243.314 2.153 20 0 BEADMN C[C@@H](O)C1(NCc2ccc(Cl)cc2F)CC1 ZINC000668700963 488135716 /nfs/dbraw/zinc/13/57/16/488135716.db2.gz GIJIXWBATPTETB-MRVPVSSYSA-N 0 1 243.709 2.482 20 0 BEADMN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1nccs1 ZINC000667835565 488135987 /nfs/dbraw/zinc/13/59/87/488135987.db2.gz TVUZMJLOFILWNL-JMJZKYOTSA-N 0 1 238.356 2.361 20 0 BEADMN CC1(CC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000683247360 488137625 /nfs/dbraw/zinc/13/76/25/488137625.db2.gz NDGLJYYUWNSJRA-SNVBAGLBSA-N 0 1 233.315 2.094 20 0 BEADMN C[C@@H](O)C1(NCc2ccsc2Cl)CC1 ZINC000668703129 488140483 /nfs/dbraw/zinc/14/04/83/488140483.db2.gz XWPBZFWTGSROJU-SSDOTTSWSA-N 0 1 231.748 2.405 20 0 BEADMN Cc1occc1CNCc1ccc(CO)cc1 ZINC000321589455 488145416 /nfs/dbraw/zinc/14/54/16/488145416.db2.gz WOADDQLZOKKIKM-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000379831469 488151799 /nfs/dbraw/zinc/15/17/99/488151799.db2.gz CUAQSIYTDFAOLA-JTQLQIEISA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000390410106 488155215 /nfs/dbraw/zinc/15/52/15/488155215.db2.gz FSBANASCBLJQAA-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000671783512 488155271 /nfs/dbraw/zinc/15/52/71/488155271.db2.gz GIXIGLXEGSRZSF-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CC[C@H](N[C@@H](C)c2ccsc2)C1=O ZINC000390446324 488157728 /nfs/dbraw/zinc/15/77/28/488157728.db2.gz XTJHNLLMZWKOOI-ONGXEEELSA-N 0 1 238.356 2.020 20 0 BEADMN Cn1ncc(C2CCC2)c1CN1CC=CCC1 ZINC000667946348 488164897 /nfs/dbraw/zinc/16/48/97/488164897.db2.gz HBGFSDVFXVJLNR-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667972330 488172746 /nfs/dbraw/zinc/17/27/46/488172746.db2.gz MPBYVRQKWYSGMK-JTQLQIEISA-N 0 1 249.358 2.019 20 0 BEADMN CC(C)=CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000037474455 488185194 /nfs/dbraw/zinc/18/51/94/488185194.db2.gz JMSDUUHQHKYZGV-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1nc(C[N@H+](CCC(=O)[O-])C(C)C)cs1 ZINC000037474327 488185586 /nfs/dbraw/zinc/18/55/86/488185586.db2.gz VMKLNGLCOSNCEK-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453207854 488185681 /nfs/dbraw/zinc/18/56/81/488185681.db2.gz BPVMUBYGKKDJSJ-FVCCEPFGSA-N 0 1 249.358 2.436 20 0 BEADMN CCCn1nccc1CN1CCC12CCOCC2 ZINC000668068029 488197157 /nfs/dbraw/zinc/19/71/57/488197157.db2.gz AUIASMLSADKTIS-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN OC[C@H]1CCCN1Cc1cscc1Cl ZINC000678133543 488203216 /nfs/dbraw/zinc/20/32/16/488203216.db2.gz FGYIDUORSRVGNF-SECBINFHSA-N 0 1 231.748 2.358 20 0 BEADMN CC1=C(C)CN(Cc2cnc3n2CCC3)CC1 ZINC000668098479 488203398 /nfs/dbraw/zinc/20/33/98/488203398.db2.gz JCUHDWDSQFAUBG-UHFFFAOYSA-N 0 1 231.343 2.371 20 0 BEADMN CCCn1[nH]c(Cc2ccccc2)cc1=O ZINC000668119282 488206671 /nfs/dbraw/zinc/20/66/71/488206671.db2.gz LHDIOBSFORTMDC-UHFFFAOYSA-N 0 1 216.284 2.227 20 0 BEADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)[C@H](C)CO1 ZINC000678154118 488209094 /nfs/dbraw/zinc/20/90/94/488209094.db2.gz ZVHLHYHAHWAYGC-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)[C@@H](C)CO1 ZINC000678154121 488209322 /nfs/dbraw/zinc/20/93/22/488209322.db2.gz ZVHLHYHAHWAYGC-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN Fc1ccc2c(c1)CCN([C@@H]1CCCOC1)C2 ZINC000678177967 488213112 /nfs/dbraw/zinc/21/31/12/488213112.db2.gz QQVNPGDKIRMGKJ-CQSZACIVSA-N 0 1 235.302 2.363 20 0 BEADMN COc1ccccc1/C=C\CN1CCCOCC1 ZINC000678184266 488214993 /nfs/dbraw/zinc/21/49/93/488214993.db2.gz VJNWHYKRXGAJSH-DAXSKMNVSA-N 0 1 247.338 2.431 20 0 BEADMN CO[C@@H]1CCC[C@@H](N[C@@H](C)c2csnn2)C1 ZINC000398382144 488216374 /nfs/dbraw/zinc/21/63/74/488216374.db2.gz TWSASYDRAHVDTA-IVZWLZJFSA-N 0 1 241.360 2.146 20 0 BEADMN CCCn1nccc1CN(CC)C[C@@H](C)OC ZINC000668184046 488216745 /nfs/dbraw/zinc/21/67/45/488216745.db2.gz YRYBPYKCVLFMJF-GFCCVEGCSA-N 0 1 239.363 2.150 20 0 BEADMN CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H](CC)O1 ZINC000398553367 488219278 /nfs/dbraw/zinc/21/92/78/488219278.db2.gz CTDSBSHBQBRGOJ-XJFOESAGSA-N 0 1 241.375 2.179 20 0 BEADMN COc1ncccc1CN1CC[C@H](C(F)F)C1 ZINC000683785395 488222129 /nfs/dbraw/zinc/22/21/29/488222129.db2.gz KRNDUSBVFAUNBF-VIFPVBQESA-N 0 1 242.269 2.177 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1ccnc(N)c1 ZINC000683785389 488222480 /nfs/dbraw/zinc/22/24/80/488222480.db2.gz QRCLCKXEIQYJPS-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN CCc1ncc(CN2CCCOC[C@@H]2C)s1 ZINC000678272373 488225288 /nfs/dbraw/zinc/22/52/88/488225288.db2.gz FAGWDTKFIQSDQU-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN Cc1nnc(NC(=O)c2ccc(C3CC3)cc2)[nH]1 ZINC000668210698 488227188 /nfs/dbraw/zinc/22/71/88/488227188.db2.gz JLYVWIFGPSVJQM-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccc(C3CC3)cc2)n1 ZINC000668210698 488227191 /nfs/dbraw/zinc/22/71/91/488227191.db2.gz JLYVWIFGPSVJQM-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CCc1ccc(CN2CCN(CC)[C@@H](C)C2)o1 ZINC000678261521 488228361 /nfs/dbraw/zinc/22/83/61/488228361.db2.gz MEQLDGFWYINRBL-LBPRGKRZSA-N 0 1 236.359 2.368 20 0 BEADMN C[C@H]1OCCN(Cc2[nH]nc3ccccc32)[C@H]1C ZINC000678267370 488231362 /nfs/dbraw/zinc/23/13/62/488231362.db2.gz PQBAHEAGJSFAIH-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN CN(CCOC(C)(C)C)Cc1ccc(CO)o1 ZINC000678283549 488237211 /nfs/dbraw/zinc/23/72/11/488237211.db2.gz FCHXRRCSWXNZML-UHFFFAOYSA-N 0 1 241.331 2.019 20 0 BEADMN c1n[nH]cc1CN1CCC[C@H]1c1ccncc1 ZINC000683899409 488241037 /nfs/dbraw/zinc/24/10/37/488241037.db2.gz FZVIIVWAPHDILZ-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN c1n[nH]cc1CN1CCC[C@@H]1c1ccncc1 ZINC000683899408 488241143 /nfs/dbraw/zinc/24/11/43/488241143.db2.gz FZVIIVWAPHDILZ-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1cccc(OC[C@@H](O)CN2CC(C)(C)C2)c1 ZINC000683924716 488245830 /nfs/dbraw/zinc/24/58/30/488245830.db2.gz VXONBDWSAKGDAW-ZDUSSCGKSA-N 0 1 249.354 2.077 20 0 BEADMN c1n[nH]c2cc(CCNc3cccnn3)ccc12 ZINC000672294801 488250299 /nfs/dbraw/zinc/25/02/99/488250299.db2.gz WJQFKJNHVSNCIQ-UHFFFAOYSA-N 0 1 239.282 2.008 20 0 BEADMN CCN1CCN(c2ncc(Cl)s2)[C@H](C)C1 ZINC000672325812 488251538 /nfs/dbraw/zinc/25/15/38/488251538.db2.gz SWRKCOPDAQCNLC-MRVPVSSYSA-N 0 1 245.779 2.327 20 0 BEADMN CCN1CCN(c2ncc(Cl)s2)[C@@H](C)C1 ZINC000672325813 488251602 /nfs/dbraw/zinc/25/16/02/488251602.db2.gz SWRKCOPDAQCNLC-QMMMGPOBSA-N 0 1 245.779 2.327 20 0 BEADMN Cc1ccc([C@H](C)NCC[NH+]2CCCC2)c(C)n1 ZINC000678412291 488251897 /nfs/dbraw/zinc/25/18/97/488251897.db2.gz SVSMNCQVKFVCGO-ZDUSSCGKSA-N 0 1 247.386 2.445 20 0 BEADMN Cc1ccc([C@H](C)NCc2cnn(C)c2)c(C)n1 ZINC000678415090 488252776 /nfs/dbraw/zinc/25/27/76/488252776.db2.gz YFZVDWCJZSZZPW-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CCN(C[C@H]1CCOC1)[C@@H](C)c1ncc(C)o1 ZINC000678460395 488256827 /nfs/dbraw/zinc/25/68/27/488256827.db2.gz IOCYAYSSMULBEA-NWDGAFQWSA-N 0 1 238.331 2.402 20 0 BEADMN COc1nc(C)cc(C)c1CN1CC=CCC1 ZINC000672552930 488259477 /nfs/dbraw/zinc/25/94/77/488259477.db2.gz GVXBEXPYWFOCEJ-UHFFFAOYSA-N 0 1 232.327 2.469 20 0 BEADMN CC1=C(C)CN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000684621426 488334312 /nfs/dbraw/zinc/33/43/12/488334312.db2.gz OJPSDLTZFIILDC-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)CCN(C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000684190310 488272816 /nfs/dbraw/zinc/27/28/16/488272816.db2.gz FMMKBKLSEBQUQG-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN Cc1c(NCc2[nH]nc3ccccc32)cnn1C ZINC000678733194 488279662 /nfs/dbraw/zinc/27/96/62/488279662.db2.gz ZUWQLCTWINOVLE-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCNC(=O)CN(C)CC(C)(C)c1ccccc1 ZINC000678817670 488287268 /nfs/dbraw/zinc/28/72/68/488287268.db2.gz JHOIELZSPTVRRR-UHFFFAOYSA-N 0 1 248.370 2.032 20 0 BEADMN C[C@H]1CCN(Cc2ccc(CO)cc2)C[C@@H]1F ZINC000679321143 488335955 /nfs/dbraw/zinc/33/59/55/488335955.db2.gz FXKXPJVHLCTRBL-FZMZJTMJSA-N 0 1 237.318 2.359 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(C)(F)C1 ZINC000684329757 488292970 /nfs/dbraw/zinc/29/29/70/488292970.db2.gz ZEHLNFCHPWCQAT-UHFFFAOYSA-N 0 1 239.294 2.026 20 0 BEADMN COc1ccc(CN2CC[C@@H](C(F)F)C2)nc1 ZINC000678892711 488294022 /nfs/dbraw/zinc/29/40/22/488294022.db2.gz YJCLPLBRVSRYAF-SECBINFHSA-N 0 1 242.269 2.177 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cn[nH]c1 ZINC000684412733 488309036 /nfs/dbraw/zinc/30/90/36/488309036.db2.gz ZVNHKSHWJDWIDM-VXNVDRBHSA-N 0 1 233.237 2.182 20 0 BEADMN Clc1ccc(CN2CCc3cn[nH]c3C2)nc1 ZINC000679219054 488318569 /nfs/dbraw/zinc/31/85/69/488318569.db2.gz QNFBCYARJSECEN-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN Cc1cc(OCc2ccnc(C)n2)cc(C)n1 ZINC000684536095 488326505 /nfs/dbraw/zinc/32/65/05/488326505.db2.gz VEMDESBHHULPMR-UHFFFAOYSA-N 0 1 229.283 2.376 20 0 BEADMN CCc1cc(NC(=O)[C@H](C)N(C)C)ccc1C ZINC000679265354 488327397 /nfs/dbraw/zinc/32/73/97/488327397.db2.gz HIZRSAGGRPBUIM-NSHDSACASA-N 0 1 234.343 2.446 20 0 BEADMN CC[C@@H](CO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684588761 488329154 /nfs/dbraw/zinc/32/91/54/488329154.db2.gz LTAHXEPRASTERE-VIFPVBQESA-N 0 1 232.283 2.123 20 0 BEADMN CC(C)c1cc(NCCF)nc(NCCF)n1 ZINC000684764173 488340822 /nfs/dbraw/zinc/34/08/22/488340822.db2.gz HBDQIDUHSQGQHV-UHFFFAOYSA-N 0 1 244.289 2.363 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC=CCC1 ZINC000679357321 488343758 /nfs/dbraw/zinc/34/37/58/488343758.db2.gz GWWGBXJHLTWDSA-UHFFFAOYSA-N 0 1 230.311 2.407 20 0 BEADMN C[C@@H]1CCN(CC2=CCCOC2)C[C@H]1F ZINC000679359680 488345780 /nfs/dbraw/zinc/34/57/80/488345780.db2.gz MKEYNUPKMAYKAR-ZYHUDNBSSA-N 0 1 213.296 2.013 20 0 BEADMN COC1(C[NH2+]Cc2n[nH]c3ccccc32)CCC1 ZINC000679484934 488354508 /nfs/dbraw/zinc/35/45/08/488354508.db2.gz YMEXZVJIYWYIIY-UHFFFAOYSA-N 0 1 245.326 2.222 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000679569821 488358528 /nfs/dbraw/zinc/35/85/28/488358528.db2.gz KQYDTNIWBPXRFA-RWMBFGLXSA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000078756541 490058399 /nfs/dbraw/zinc/05/83/99/490058399.db2.gz JCRZDEUJFQKSPW-GXTWGEPZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(C(=O)Cc1ccn[nH]1)C1CCCCC1 ZINC000174567698 490094808 /nfs/dbraw/zinc/09/48/08/490094808.db2.gz OFTUIJOKGQFJGQ-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1cccc(CN2CCCOCC2)c1F ZINC000336215822 490117630 /nfs/dbraw/zinc/11/76/30/490117630.db2.gz SSOMKGZBWQLDLT-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC000672137557 490137227 /nfs/dbraw/zinc/13/72/27/490137227.db2.gz XKZIKXZRAABPEW-SKDRFNHKSA-N 0 1 233.315 2.158 20 0 BEADMN CC[C@H]1CN(Cc2[nH]ncc2C)[C@@H](CC)CO1 ZINC000651913301 490154767 /nfs/dbraw/zinc/15/47/67/490154767.db2.gz RYILNOSMWUTUEO-RYUDHWBXSA-N 0 1 237.347 2.108 20 0 BEADMN CCc1nc(NC(=O)c2cc(C)c(CC)o2)n[nH]1 ZINC000182276729 490191425 /nfs/dbraw/zinc/19/14/25/490191425.db2.gz GVBCANVWFFMJDM-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(C)c(CC)o2)n1 ZINC000182276729 490191434 /nfs/dbraw/zinc/19/14/34/490191434.db2.gz GVBCANVWFFMJDM-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN Cc1cccc([C@H](C)CNC(=O)[C@H](C)N(C)C)c1 ZINC000078749322 490226471 /nfs/dbraw/zinc/22/64/71/490226471.db2.gz CZBKWDVDSQHFKU-OLZOCXBDSA-N 0 1 248.370 2.165 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)[C@H](C)N(C)C ZINC000078753792 490228208 /nfs/dbraw/zinc/22/82/08/490228208.db2.gz KZNUHCWGKCOOOM-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1c(F)cccc1NC(=O)[C@H](C)N(C)C ZINC000078758137 490233871 /nfs/dbraw/zinc/23/38/71/490233871.db2.gz ILWUEWWWLCSOJN-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(F)cc(F)c1)N(C)C ZINC000268758202 490280119 /nfs/dbraw/zinc/28/01/19/490280119.db2.gz ZBWWVFKERBUZFC-NSHDSACASA-N 0 1 242.269 2.244 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cn1 ZINC000228886875 490306165 /nfs/dbraw/zinc/30/61/65/490306165.db2.gz YJTHNQFSNMHDHK-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1nc2c(n1[C@@H](C)[C@H](C)O)CCCC2 ZINC000127363598 490546253 /nfs/dbraw/zinc/54/62/53/490546253.db2.gz CAGNBVHWCLIJRV-IUCAKERBSA-N 0 1 208.305 2.012 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000300399424 490559335 /nfs/dbraw/zinc/55/93/35/490559335.db2.gz WLAXDULIVLNCOU-DOFRTFSJSA-N 0 1 224.304 2.029 20 0 BEADMN C[C@H](CCc1ccc(O)cc1)NCc1ccon1 ZINC000129029032 490596933 /nfs/dbraw/zinc/59/69/33/490596933.db2.gz LFXQVGKVYNVJNJ-LLVKDONJSA-N 0 1 246.310 2.491 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@H](CO)c1ccccc1 ZINC000305829114 490622773 /nfs/dbraw/zinc/62/27/73/490622773.db2.gz NNJWTZFDVYHCQU-IINYFYTJSA-N 0 1 245.326 2.102 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@@H](CO)c1ccccc1 ZINC000305829118 490622809 /nfs/dbraw/zinc/62/28/09/490622809.db2.gz NNJWTZFDVYHCQU-YGRLFVJLSA-N 0 1 245.326 2.102 20 0 BEADMN O=C(NC1CC=CC1)c1ccc(O)c(Cl)c1 ZINC000131225266 490628741 /nfs/dbraw/zinc/62/87/41/490628741.db2.gz AGSBDOFMKBYLQG-UHFFFAOYSA-N 0 1 237.686 2.494 20 0 BEADMN CC(C)Oc1ncccc1CNCc1cc[nH]c1 ZINC000080773936 490655169 /nfs/dbraw/zinc/65/51/69/490655169.db2.gz GYZXSRVTHOVLAO-UHFFFAOYSA-N 0 1 245.326 2.487 20 0 BEADMN CCC(CC)CNC(=O)CN1CCC(C)CC1 ZINC000136614040 491062054 /nfs/dbraw/zinc/06/20/54/491062054.db2.gz TVVHLJYDNTZZOS-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000086803203 491062153 /nfs/dbraw/zinc/06/21/53/491062153.db2.gz MAKSGRVSIOKANP-GFCCVEGCSA-N 0 1 239.290 2.429 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802696 491077759 /nfs/dbraw/zinc/07/77/59/491077759.db2.gz SZAKRFJHYAARSQ-QWHCGFSZSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1CC[C@@]2(CC[N@@H+](CC3(C(=O)[O-])CC3)C2)C1 ZINC000652442977 491085200 /nfs/dbraw/zinc/08/52/00/491085200.db2.gz DZNWFINJTFSUJT-DGCLKSJQSA-N 0 1 237.343 2.363 20 0 BEADMN CCC[C@H](C)NC(=O)c1ccc(F)cc1O ZINC000228305926 491093122 /nfs/dbraw/zinc/09/31/22/491093122.db2.gz UQGYJYAFBGREIP-QMMMGPOBSA-N 0 1 225.263 2.450 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)CCO)c(C)s1 ZINC000123332174 491101882 /nfs/dbraw/zinc/10/18/82/491101882.db2.gz VKKDTIGXGKJXGV-YUMQZZPRSA-N 0 1 228.361 2.181 20 0 BEADMN COCC[C@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000088493350 491103242 /nfs/dbraw/zinc/10/32/42/491103242.db2.gz KHEZHURTOJIYOM-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN CCOC1CCN(Cc2cncs2)CC1 ZINC000091676756 491131479 /nfs/dbraw/zinc/13/14/79/491131479.db2.gz WFCYUOPHBGMKCM-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN Clc1ccc2c(c1)[C@H](NC1CSC1)CO2 ZINC000308881533 491139605 /nfs/dbraw/zinc/13/96/05/491139605.db2.gz QGWZUIDMGANSBX-SNVBAGLBSA-N 0 1 241.743 2.479 20 0 BEADMN CC1(C)CN(C(=O)c2ccc(F)cc2O)C1 ZINC000309733189 491155299 /nfs/dbraw/zinc/15/52/99/491155299.db2.gz STJONJKVSMIVNS-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN Cc1nc([C@H](C)NCC(C)(C)O)c(C)s1 ZINC000083461270 491161805 /nfs/dbraw/zinc/16/18/05/491161805.db2.gz AOLZNIFZTPZLGM-ZETCQYMHSA-N 0 1 228.361 2.181 20 0 BEADMN C[C@@]1(CCNCc2cocn2)C[C@@]1(F)Cl ZINC000846033620 582643097 /nfs/dbraw/zinc/64/30/97/582643097.db2.gz GSLNWAQIFLLLOU-ZJUUUORDSA-N 0 1 232.686 2.469 20 0 BEADMN CCOCCN(CC)Cc1cnc(F)cc1C ZINC000891817696 582725742 /nfs/dbraw/zinc/72/57/42/582725742.db2.gz DFZIMYFJGSBJCN-UHFFFAOYSA-N 0 1 240.322 2.388 20 0 BEADMN CCOCCN(CC)Cc1ccc(OC)o1 ZINC000891818355 582726049 /nfs/dbraw/zinc/72/60/49/582726049.db2.gz LXKGYAVUNDNWCW-UHFFFAOYSA-N 0 1 227.304 2.147 20 0 BEADMN CCOc1ccc(CN2CCCOC[C@H]2C)o1 ZINC000892074870 582786328 /nfs/dbraw/zinc/78/63/28/582786328.db2.gz BSEZFLQHXVWNKB-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN Cc1nn(C)c(CN2C[C@H](C)[C@H](C)C2)c1Cl ZINC000892068127 582785024 /nfs/dbraw/zinc/78/50/24/582785024.db2.gz FTVIROVTCWMENX-DTORHVGOSA-N 0 1 241.766 2.470 20 0 BEADMN CC(C)(C(=O)Nc1ccccc1O)c1cnc[nH]1 ZINC000336052469 534381953 /nfs/dbraw/zinc/38/19/53/534381953.db2.gz SVYOSOMRXBGBTM-UHFFFAOYSA-N 0 1 245.282 2.032 20 0 BEADMN CCC1(O)CCN(Cc2ccc(OC)o2)CC1 ZINC000892105419 582792431 /nfs/dbraw/zinc/79/24/31/582792431.db2.gz KHKKZDMROVCJBX-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN CN(Cc1cccc(F)c1F)C[C@@H](O)C1CC1 ZINC000304796916 582797724 /nfs/dbraw/zinc/79/77/24/582797724.db2.gz WJWVLBYAKIQMCK-GFCCVEGCSA-N 0 1 241.281 2.168 20 0 BEADMN c1nc(CN[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424192043 534528152 /nfs/dbraw/zinc/52/81/52/534528152.db2.gz IJGHRXHUSJRCDP-WDEREUQCSA-N 0 1 208.330 2.421 20 0 BEADMN CN1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000335398359 536359508 /nfs/dbraw/zinc/35/95/08/536359508.db2.gz CYSUCKVBJZDAMA-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN O=C(NC[C@H]1CC=CCC1)[C@@H]1CCCN1C1CC1 ZINC000495019326 534632853 /nfs/dbraw/zinc/63/28/53/534632853.db2.gz QDHZILYWTDNQTA-JSGCOSHPSA-N 0 1 248.370 2.086 20 0 BEADMN CC(C)c1nccc(N2CCN(C)[C@H](C)[C@@H]2C)n1 ZINC000356793031 534910635 /nfs/dbraw/zinc/91/06/35/534910635.db2.gz LYLLKZLJQQDXPH-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)=CCN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496260374 527430556 /nfs/dbraw/zinc/43/05/56/527430556.db2.gz CMYXZGHOZAXXAM-GFCCVEGCSA-N 0 1 240.347 2.115 20 0 BEADMN CC=C(C=CC(=O)N[C@@H](C)c1n[nH]c(C)n1)CC ZINC000493842256 527562288 /nfs/dbraw/zinc/56/22/88/527562288.db2.gz HAGFJWWQVMWTLX-OJKOJOSHSA-N 0 1 248.330 2.203 20 0 BEADMN CC(C)n1ccnc1CN[C@@]1(C)CCO[C@@H]1C ZINC000494203706 528607388 /nfs/dbraw/zinc/60/73/88/528607388.db2.gz FEVLRCHTWWATCU-YPMHNXCESA-N 0 1 237.347 2.121 20 0 BEADMN CCN(CN1CC(C)(C)OC1=O)C1CCC1 ZINC000494001595 528611474 /nfs/dbraw/zinc/61/14/74/528611474.db2.gz FDPFUJCBIOBCRZ-UHFFFAOYSA-N 0 1 226.320 2.049 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1[C@H]1C=CCCC1 ZINC000495232325 529264754 /nfs/dbraw/zinc/26/47/54/529264754.db2.gz RJMIPBJTXTWSOJ-QWHCGFSZSA-N 0 1 236.359 2.038 20 0 BEADMN CC1(C)C[S@](=O)CCN1CCC1CCCC1 ZINC000336061848 534941951 /nfs/dbraw/zinc/94/19/51/534941951.db2.gz OEKKHAOTBHLNJB-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)c1nnc(CN2CC[C@H]3CCC[C@@H]32)n1C ZINC000336105668 534976334 /nfs/dbraw/zinc/97/63/34/534976334.db2.gz VRPTWZHRUWDXTD-NEPJUHHUSA-N 0 1 248.374 2.313 20 0 BEADMN CC(C)N(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000334889961 534992332 /nfs/dbraw/zinc/99/23/32/534992332.db2.gz NBYPGEBBUKBQAF-UHFFFAOYSA-N 0 1 235.262 2.182 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1nc2ccccc2o1 ZINC000180626551 535047353 /nfs/dbraw/zinc/04/73/53/535047353.db2.gz YERWYZGMDVSTAI-GFCCVEGCSA-N 0 1 248.326 2.324 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177367103 535151816 /nfs/dbraw/zinc/15/18/16/535151816.db2.gz YJWLYPOWHSWCFX-WDEREUQCSA-N 0 1 249.358 2.238 20 0 BEADMN CC(C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000355935403 535201959 /nfs/dbraw/zinc/20/19/59/535201959.db2.gz ZZGTUQZEWFGTGJ-UHFFFAOYSA-N 0 1 240.297 2.495 20 0 BEADMN CC1=C(C)C[C@H](C(=O)N[C@H](C)c2nnc[nH]2)CC1 ZINC000335561923 535239083 /nfs/dbraw/zinc/23/90/83/535239083.db2.gz SEDSTWDSLBBRDD-GHMZBOCLSA-N 0 1 248.330 2.118 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)n[nH]1 ZINC000336013683 535357033 /nfs/dbraw/zinc/35/70/33/535357033.db2.gz XPWFVXBWGQIIHK-UWVGGRQHSA-N 0 1 235.331 2.404 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352188605 535425722 /nfs/dbraw/zinc/42/57/22/535425722.db2.gz GHRAJYGXLWUBLN-LLVKDONJSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](CSC)C1 ZINC000309324672 535428475 /nfs/dbraw/zinc/42/84/75/535428475.db2.gz HVGOIWHFBZKPMU-MNOVXSKESA-N 0 1 245.388 2.013 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])[C@H](C)CC ZINC000251524823 535495091 /nfs/dbraw/zinc/49/50/91/535495091.db2.gz AJGATSOBMSQPBX-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)[C@@H](CC)C(=O)[O-] ZINC000086437942 535511489 /nfs/dbraw/zinc/51/14/89/535511489.db2.gz QBQJUZWVBKXZKA-ZJUUUORDSA-N 0 1 201.310 2.218 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000335717107 535777582 /nfs/dbraw/zinc/77/75/82/535777582.db2.gz ALNCRVHOHKLGHR-BETUJISGSA-N 0 1 246.354 2.241 20 0 BEADMN CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262741214 535820812 /nfs/dbraw/zinc/82/08/12/535820812.db2.gz AIQYWEUYOGVKBD-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000177982613 535934640 /nfs/dbraw/zinc/93/46/40/535934640.db2.gz JKSWUVZBTIHVLV-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCc1ccccc1NC(=O)N1CCN[C@@H](C)C1 ZINC000334875131 535954292 /nfs/dbraw/zinc/95/42/92/535954292.db2.gz TYZZODRYPFLCSO-NSHDSACASA-N 0 1 247.342 2.075 20 0 BEADMN CC[C@H](C[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000263442224 536099011 /nfs/dbraw/zinc/09/90/11/536099011.db2.gz WWWFEABRRNIGCF-LLVKDONJSA-N 0 1 221.300 2.197 20 0 BEADMN CCc1ccc(CN2CCOC[C@H](C)C2)o1 ZINC000334410435 536177278 /nfs/dbraw/zinc/17/72/78/536177278.db2.gz MPHLAJCILTXVCJ-LLVKDONJSA-N 0 1 223.316 2.310 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cn(C(C)C)nn1 ZINC000348191983 536181060 /nfs/dbraw/zinc/18/10/60/536181060.db2.gz IQRSTCBJYWJELB-AAEUAGOBSA-N 0 1 236.363 2.479 20 0 BEADMN CN(CCCC1CCCC1)Cc1nnc[nH]1 ZINC000176170420 536329497 /nfs/dbraw/zinc/32/94/97/536329497.db2.gz QKPAMLUGLOIUBT-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CC[C@@H](C)F ZINC000351810759 536523883 /nfs/dbraw/zinc/52/38/83/536523883.db2.gz ARDSIONUAJXOHO-MXWKQRLJSA-N 0 1 231.311 2.008 20 0 BEADMN COCc1ccc(CN[C@@H]2C[C@@H]2C(F)F)o1 ZINC000348209544 536780198 /nfs/dbraw/zinc/78/01/98/536780198.db2.gz KCRXABXZLVGTCP-VHSXEESVSA-N 0 1 231.242 2.169 20 0 BEADMN CCN(Cc1cnc([C@@H](C)O)s1)C1CC1 ZINC000289026000 566384106 /nfs/dbraw/zinc/38/41/06/566384106.db2.gz GQHKZSZSQWHFAV-MRVPVSSYSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@H](OC(=O)CC1CCCCC1)c1nnc[nH]1 ZINC000853215359 588725533 /nfs/dbraw/zinc/72/55/33/588725533.db2.gz WAHLXECRBCZBIU-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN Cc1cccc(C(=O)O[C@@H](C)c2nnc[nH]2)c1C ZINC000853215366 588725547 /nfs/dbraw/zinc/72/55/47/588725547.db2.gz RIUDYZWTMAFFKT-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN CCC/C(C)=C/C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853218225 588725639 /nfs/dbraw/zinc/72/56/39/588725639.db2.gz JSURVONFEJAJJT-BNICOGTQSA-N 0 1 223.276 2.155 20 0 BEADMN CC[C@H](CC(=O)O[C@@H](C)c1nnc[nH]1)C(C)C ZINC000853219057 588725911 /nfs/dbraw/zinc/72/59/11/588725911.db2.gz FSRZZBABRKRETC-VHSXEESVSA-N 0 1 239.319 2.481 20 0 BEADMN Cc1ccc([C@@H](C)C(=O)O[C@@H](C)c2nnc[nH]2)o1 ZINC000853220317 588726209 /nfs/dbraw/zinc/72/62/09/588726209.db2.gz KPVGTYYDWHWLMV-BDAKNGLRSA-N 0 1 249.270 2.114 20 0 BEADMN CC[C@@H](CC(F)F)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225006 588727115 /nfs/dbraw/zinc/72/71/15/588727115.db2.gz JUARYGHOZBAYGJ-BQBZGAKWSA-N 0 1 247.245 2.090 20 0 BEADMN C[C@H](OC(=O)/C=C/C1CCCC1)c1nnc[nH]1 ZINC000853226260 588727298 /nfs/dbraw/zinc/72/72/98/588727298.db2.gz VQJXLUDGZSPELO-UCUJLANTSA-N 0 1 235.287 2.155 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225297 588727439 /nfs/dbraw/zinc/72/74/39/588727439.db2.gz NBQFWVVXEHMFKX-ORZBULNSSA-N 0 1 237.303 2.401 20 0 BEADMN C[C@H](OC(=O)[C@H]1CC2CCC1CC2)c1nnc[nH]1 ZINC000853226353 588727572 /nfs/dbraw/zinc/72/75/72/588727572.db2.gz WVNZAXWZZXPFRR-PMUOWJKOSA-N 0 1 249.314 2.235 20 0 BEADMN CC(C)C[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853226364 588727697 /nfs/dbraw/zinc/72/76/97/588727697.db2.gz WBBGLPIGIYTHAP-BDAKNGLRSA-N 0 1 225.292 2.091 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CCCC2(CC2)C1)c1nnc[nH]1 ZINC000853227089 588727728 /nfs/dbraw/zinc/72/77/28/588727728.db2.gz LGYCKGVRBMNEDL-ZJUUUORDSA-N 0 1 249.314 2.379 20 0 BEADMN C[C@H](NCC1(O)CCC(C)CC1)c1ncc[nH]1 ZINC000853238982 588728183 /nfs/dbraw/zinc/72/81/83/588728183.db2.gz WZQWUNLZSQNJEX-AKJDGMEZSA-N 0 1 237.347 2.002 20 0 BEADMN CCC(N)=NOC[C@H](OC)C1CCCC1 ZINC000853655685 588752713 /nfs/dbraw/zinc/75/27/13/588752713.db2.gz ANXXGRGRGAFVBD-JTQLQIEISA-N 0 1 214.309 2.100 20 0 BEADMN CCC(N)=NOCCOCc1ccccc1 ZINC000853655738 588752763 /nfs/dbraw/zinc/75/27/63/588752763.db2.gz BXWLXLJTABSFLD-UHFFFAOYSA-N 0 1 222.288 2.112 20 0 BEADMN CC(C)C(N)=NOCc1csc(Cl)n1 ZINC000853684615 588755853 /nfs/dbraw/zinc/75/58/53/588755853.db2.gz FQAKPNCADUETDO-UHFFFAOYSA-N 0 1 233.724 2.451 20 0 BEADMN Cc1ccoc1Cc1nc([C@H](N)C(C)C)no1 ZINC000854133110 588776000 /nfs/dbraw/zinc/77/60/00/588776000.db2.gz SPNBVZPLFWSPSC-LLVKDONJSA-N 0 1 235.287 2.218 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N1CCCN(C)CC1 ZINC000854179243 588778278 /nfs/dbraw/zinc/77/82/78/588778278.db2.gz VIRXJXRAQMHSDB-CYBMUJFWSA-N 0 1 244.354 2.069 20 0 BEADMN CCN(CC1CC1)CN1CCSC1=S ZINC000112199994 588785210 /nfs/dbraw/zinc/78/52/10/588785210.db2.gz YOUNLKBOMYDGJF-UHFFFAOYSA-N 0 1 230.402 2.010 20 0 BEADMN O=C(NOc1ccccc1)[C@@H]1CC12CCC2 ZINC000854537193 588791779 /nfs/dbraw/zinc/79/17/79/588791779.db2.gz PRMZGAGXUYOSAA-NSHDSACASA-N 0 1 217.268 2.287 20 0 BEADMN CC[C@H](C)CONC(=O)Cc1occc1C ZINC000854602474 588796991 /nfs/dbraw/zinc/79/69/91/588796991.db2.gz PTNIEHDKYQRJOD-VIFPVBQESA-N 0 1 225.288 2.224 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@H]1CCN(CC)C1 ZINC000854944107 588817484 /nfs/dbraw/zinc/81/74/84/588817484.db2.gz FCJBILWEOJDEAR-AAEUAGOBSA-N 0 1 244.354 2.115 20 0 BEADMN CCCCCCC(=O)N(C)Cc1cnc[nH]1 ZINC000855134554 588822914 /nfs/dbraw/zinc/82/29/14/588822914.db2.gz SDHWEEHXLXXDDZ-UHFFFAOYSA-N 0 1 223.320 2.339 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1(F)CCCCC1 ZINC000855136157 588823351 /nfs/dbraw/zinc/82/33/51/588823351.db2.gz MRCFYZZSHQQJRN-UHFFFAOYSA-N 0 1 239.294 2.041 20 0 BEADMN CC=C(C=CC(=O)N(C)Cc1cnc[nH]1)CC ZINC000855136138 588823478 /nfs/dbraw/zinc/82/34/78/588823478.db2.gz LXYYVRUBJCURDN-HNGDNPSASA-N 0 1 233.315 2.281 20 0 BEADMN CC[C@H]1c2ccccc2CN1C(=O)CN(C)C ZINC000890611224 582487498 /nfs/dbraw/zinc/48/74/98/582487498.db2.gz RNKIUDJJAYTUGD-ZDUSSCGKSA-N 0 1 232.327 2.042 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890765568 582542659 /nfs/dbraw/zinc/54/26/59/582542659.db2.gz KQJNBLMRWYELBD-NTZNESFSSA-N 0 1 247.342 2.059 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1[nH]nc2c1CCCCC2 ZINC000855430944 588835114 /nfs/dbraw/zinc/83/51/14/588835114.db2.gz OHTVHONXVBVWLK-JTQLQIEISA-N 0 1 245.326 2.127 20 0 BEADMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)nc1)N(C)C ZINC000890792712 582567377 /nfs/dbraw/zinc/56/73/77/582567377.db2.gz RSXSTKGLRVHSJZ-SNVBAGLBSA-N 0 1 249.358 2.268 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@H]3C=CCC3)c2[nH]1 ZINC000855433630 588835957 /nfs/dbraw/zinc/83/59/57/588835957.db2.gz UFKBIHVSPOFSGX-JTQLQIEISA-N 0 1 241.294 2.320 20 0 BEADMN C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000113395179 588838274 /nfs/dbraw/zinc/83/82/74/588838274.db2.gz IXJMRIDVCNGZQV-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN COCCN(C)Cc1c(C)nn(C(C)C)c1C ZINC000891574582 582698467 /nfs/dbraw/zinc/69/84/67/582698467.db2.gz RLAWEJJOQDHNEB-UHFFFAOYSA-N 0 1 239.363 2.159 20 0 BEADMN CN(Cc1cccc2c1OCC2)C[C@H]1CCCO1 ZINC000891583148 582699527 /nfs/dbraw/zinc/69/95/27/582699527.db2.gz WQICENPRTRRMOW-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN CN(Cc1cccc2[nH]c(=O)oc21)C1CC1 ZINC000891619296 582702561 /nfs/dbraw/zinc/70/25/61/582702561.db2.gz COKIGCSEUCTUGF-UHFFFAOYSA-N 0 1 218.256 2.128 20 0 BEADMN OC[C@@H]1CCCN1Cc1cc(O)cc(Cl)c1 ZINC000891793885 582721908 /nfs/dbraw/zinc/72/19/08/582721908.db2.gz OJUADEPIRWXLIS-NSHDSACASA-N 0 1 241.718 2.002 20 0 BEADMN C[C@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000891797900 582723139 /nfs/dbraw/zinc/72/31/39/582723139.db2.gz LLPDINDHJAVIPH-JTQLQIEISA-N 0 1 205.305 2.060 20 0 BEADMN CCN(CCCCC(C)C)CCS(C)(=O)=O ZINC000892160026 582803682 /nfs/dbraw/zinc/80/36/82/582803682.db2.gz SZOIMBUXLOXKBP-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN CC(C)CCCCN(C)[C@@H](C)CS(C)(=O)=O ZINC000892035943 582769675 /nfs/dbraw/zinc/76/96/75/582769675.db2.gz FVFHTGRQGOWKOR-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CC1(C)CCN1Cc1cn2ccnc2s1 ZINC000892058237 582778689 /nfs/dbraw/zinc/77/86/89/582778689.db2.gz TVNJORMESGKYIL-UHFFFAOYSA-N 0 1 221.329 2.380 20 0 BEADMN COc1nccc(CN2C[C@H](C)C[C@@H]2C)c1F ZINC000892103613 582791388 /nfs/dbraw/zinc/79/13/88/582791388.db2.gz KTHIJHABJPEBFD-ZJUUUORDSA-N 0 1 238.306 2.460 20 0 BEADMN c1[nH]nc2cc(NC[C@@H]3CCCOC3)ccc12 ZINC000111319784 582816630 /nfs/dbraw/zinc/81/66/30/582816630.db2.gz SQDQXHCJCFZTDT-JTQLQIEISA-N 0 1 231.299 2.401 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC000113789902 588853932 /nfs/dbraw/zinc/85/39/32/588853932.db2.gz DHLRKBDKLYXQSE-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN C[C@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000725776838 582848401 /nfs/dbraw/zinc/84/84/01/582848401.db2.gz BLCFFWWIGSTASL-JSGCOSHPSA-N 0 1 244.338 2.259 20 0 BEADMN CC=CC=CC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849635690 582854080 /nfs/dbraw/zinc/85/40/80/582854080.db2.gz ZIJRBLMUHZNISZ-ORGPFNIGSA-N 0 1 235.287 2.104 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)[C@H](C)C2CC2)c1 ZINC000782184363 582870638 /nfs/dbraw/zinc/87/06/38/582870638.db2.gz RPGCCTYVBFHPTN-LLVKDONJSA-N 0 1 247.342 2.059 20 0 BEADMN C[C@H](N[C@H]1COc2ccccc2C1)c1ncc[nH]1 ZINC000279101153 582882562 /nfs/dbraw/zinc/88/25/62/582882562.db2.gz VENIYAVKJFEFJQ-CMPLNLGQSA-N 0 1 243.310 2.064 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(Cc2cnon2)C1 ZINC000851786553 582966657 /nfs/dbraw/zinc/96/66/57/582966657.db2.gz YEQIJUGXJAYJNV-ZJUUUORDSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(Cc2cnon2)C1 ZINC000851786550 582966778 /nfs/dbraw/zinc/96/67/78/582966778.db2.gz YEQIJUGXJAYJNV-NXEZZACHSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@H]1CC[C@H]1NCc1nnc(C2CC2)s1 ZINC000840892287 582968901 /nfs/dbraw/zinc/96/89/01/582968901.db2.gz XJUBXAQJNUALCG-IONNQARKSA-N 0 1 223.345 2.304 20 0 BEADMN CO[C@H](C)CCNCc1nnc(C(C)C)s1 ZINC000892806397 582986861 /nfs/dbraw/zinc/98/68/61/582986861.db2.gz FVBSDBNJICEPRE-SECBINFHSA-N 0 1 243.376 2.176 20 0 BEADMN CCC[C@H]1CCCN(c2nc(C)cc(N)n2)C1 ZINC000892895249 583006976 /nfs/dbraw/zinc/00/69/76/583006976.db2.gz OZMHUCBTLQXXEJ-NSHDSACASA-N 0 1 234.347 2.384 20 0 BEADMN CCn1cc(CNCc2cnc(F)cc2C)cn1 ZINC000893002041 583027550 /nfs/dbraw/zinc/02/75/50/583027550.db2.gz ULEZYJHIUGJSGL-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CC(C)[C@H]1CCCN([C@@H]2CCOC2=O)CC1 ZINC000114729116 588881387 /nfs/dbraw/zinc/88/13/87/588881387.db2.gz LWTAOWRLWOZZIZ-NWDGAFQWSA-N 0 1 225.332 2.060 20 0 BEADMN Cn1cc(CN2CCC[C@H]2C2CC2)c(Cl)n1 ZINC000857017205 588882028 /nfs/dbraw/zinc/88/20/28/588882028.db2.gz DPOCXKMTPUUOJR-NSHDSACASA-N 0 1 239.750 2.448 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cn(C)nc1Cl ZINC000857026914 588882230 /nfs/dbraw/zinc/88/22/30/588882230.db2.gz WDTNCGVRDSRTDF-RKDXNWHRSA-N 0 1 227.739 2.446 20 0 BEADMN Cc1cccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000223832169 583181867 /nfs/dbraw/zinc/18/18/67/583181867.db2.gz AYVJNSFYUJBVSV-YPMHNXCESA-N 0 1 233.311 2.148 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cn(C)nc1Cl ZINC000857026912 588882875 /nfs/dbraw/zinc/88/28/75/588882875.db2.gz WDTNCGVRDSRTDF-DTORHVGOSA-N 0 1 227.739 2.446 20 0 BEADMN Cc1coc(COC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000893744239 583217134 /nfs/dbraw/zinc/21/71/34/583217134.db2.gz CCLDQIPSNWLCBU-LBPRGKRZSA-N 0 1 239.315 2.217 20 0 BEADMN CCO[C@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000893864232 583234984 /nfs/dbraw/zinc/23/49/84/583234984.db2.gz UTCFIANEQDRBRA-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1coc(CN2CCN(C(C)C)CC2)c1 ZINC000893921095 583247989 /nfs/dbraw/zinc/24/79/89/583247989.db2.gz HNYSKMSIHCDDOF-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN Cc1coc(CN(C)C[C@H]2CCCO2)c1 ZINC000893926982 583249243 /nfs/dbraw/zinc/24/92/43/583249243.db2.gz ZALGPWHYBISCBM-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN Cc1n[nH]c(CN2CCS[C@@H](C)[C@@H]2C)c1C ZINC000894033453 583276642 /nfs/dbraw/zinc/27/66/42/583276642.db2.gz DNXGEGDSARANLM-QWRGUYRKSA-N 0 1 239.388 2.352 20 0 BEADMN CSc1ccc(CN(C)CC[C@@H](C)O)o1 ZINC000894033518 583276861 /nfs/dbraw/zinc/27/68/61/583276861.db2.gz HFYDOJFVZLZGSA-SECBINFHSA-N 0 1 229.345 2.204 20 0 BEADMN CCC[C@H]1CN(Cc2n[nH]c(C)c2C)CCO1 ZINC000894034627 583278081 /nfs/dbraw/zinc/27/80/81/583278081.db2.gz AQWWCTQFQKLPSC-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN CCC[C@@H]1CN(Cc2n[nH]c(C)c2C)CCO1 ZINC000894034626 583278345 /nfs/dbraw/zinc/27/83/45/583278345.db2.gz AQWWCTQFQKLPSC-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1coc(CN2CCN(C3CCC3)CC2)c1 ZINC000894024371 583280456 /nfs/dbraw/zinc/28/04/56/583280456.db2.gz JENOKPJFXKVUFB-UHFFFAOYSA-N 0 1 234.343 2.258 20 0 BEADMN Cc1[nH]nc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C ZINC000894088125 583298222 /nfs/dbraw/zinc/29/82/22/583298222.db2.gz ICWNJGDAXZZPSO-GXTWGEPZSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1[nH]nc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1C ZINC000894088125 583298224 /nfs/dbraw/zinc/29/82/24/583298224.db2.gz ICWNJGDAXZZPSO-GXTWGEPZSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@H]3COCC[C@H]32)c1C ZINC000894088125 583298225 /nfs/dbraw/zinc/29/82/25/583298225.db2.gz ICWNJGDAXZZPSO-GXTWGEPZSA-N 0 1 249.358 2.027 20 0 BEADMN COCCOc1ccccc1NCc1cnc[nH]1 ZINC000894121498 583311452 /nfs/dbraw/zinc/31/14/52/583311452.db2.gz BZHFLWZQAWLKSJ-UHFFFAOYSA-N 0 1 247.298 2.047 20 0 BEADMN CCCN(C)CC(=O)Nc1cncc(C(C)C)c1 ZINC000888240500 583313134 /nfs/dbraw/zinc/31/31/34/583313134.db2.gz FYBNQZJJFYFZIG-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN COCCOc1ccc(CN2[C@H](C)C[C@@H]2C)o1 ZINC000894140493 583316009 /nfs/dbraw/zinc/31/60/09/583316009.db2.gz REMVNNSELUUCKP-PHIMTYICSA-N 0 1 239.315 2.288 20 0 BEADMN CC1CN(CCc2ccc(F)c(F)c2)C1 ZINC000894159235 583320787 /nfs/dbraw/zinc/32/07/87/583320787.db2.gz TZNDRYADEOJJEN-UHFFFAOYSA-N 0 1 211.255 2.459 20 0 BEADMN C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH]cn1 ZINC000894178090 583328315 /nfs/dbraw/zinc/32/83/15/583328315.db2.gz CMISXHJQCDACKH-DGCLKSJQSA-N 0 1 237.347 2.095 20 0 BEADMN Cc1ncoc1CNCCOc1ccccc1C ZINC000894199446 583336240 /nfs/dbraw/zinc/33/62/40/583336240.db2.gz JPLMGPFEBIYJKQ-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1cc(CN2CC[C@H]3CSC[C@@H]3C2)no1 ZINC000877740107 583344812 /nfs/dbraw/zinc/34/48/12/583344812.db2.gz UYAWLLTZSULTPZ-QWRGUYRKSA-N 0 1 238.356 2.168 20 0 BEADMN CCN(Cc1occc1C)c1nc(C)cc(N)n1 ZINC000894209558 583367553 /nfs/dbraw/zinc/36/75/53/583367553.db2.gz NVQDATKXLKYXPY-UHFFFAOYSA-N 0 1 246.314 2.295 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1CCC(C)(C)CO1 ZINC000878198126 583367677 /nfs/dbraw/zinc/36/76/77/583367677.db2.gz SRYMSDKWMZKWIP-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN CCCC[C@H](CC)CNC(=O)CN1CCCC1 ZINC000726874638 583380487 /nfs/dbraw/zinc/38/04/87/583380487.db2.gz KMRRXLDBYTZTIX-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCCC[C@H](CC)CCN1CCNC(=O)[C@H]1C ZINC000437690109 583381384 /nfs/dbraw/zinc/38/13/84/583381384.db2.gz UZCNQXUTAVQSTC-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NCc1cnc[nH]1)CCO2 ZINC000894231325 583384602 /nfs/dbraw/zinc/38/46/02/583384602.db2.gz QOMWCHUJEOXMQD-LBPRGKRZSA-N 0 1 247.273 2.162 20 0 BEADMN CC[C@@H](C)N(Cc1ccccc1)CN1CCC1=O ZINC000857232020 588897988 /nfs/dbraw/zinc/89/79/88/588897988.db2.gz YHWPXMDURWTVMB-CYBMUJFWSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1c(NCc2cnc[nH]2)cnn1CC(C)C ZINC000894373816 583441131 /nfs/dbraw/zinc/44/11/31/583441131.db2.gz YNMNJVGCBAOZTP-UHFFFAOYSA-N 0 1 233.319 2.183 20 0 BEADMN CCOc1ccc(CN(C)C[C@@H](C)OC)o1 ZINC000894435232 583458825 /nfs/dbraw/zinc/45/88/25/583458825.db2.gz MUHUXSDDPFYKME-SNVBAGLBSA-N 0 1 227.304 2.145 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccnn1C1CCC1 ZINC000894434564 583459135 /nfs/dbraw/zinc/45/91/35/583459135.db2.gz GQPYVJMFLJYNGD-NSHDSACASA-N 0 1 237.347 2.075 20 0 BEADMN Cc1n[nH]c(CN2CCOCC3(CCC3)C2)c1C ZINC000894463736 583465222 /nfs/dbraw/zinc/46/52/22/583465222.db2.gz CZDNLYFBXUELNO-UHFFFAOYSA-N 0 1 249.358 2.029 20 0 BEADMN Cc1nnc([C@H](C)NC2CC3(C2)CCCC3)[nH]1 ZINC000894466860 583468385 /nfs/dbraw/zinc/46/83/85/583468385.db2.gz FRBYWGSTUBRUSV-VIFPVBQESA-N 0 1 234.347 2.487 20 0 BEADMN CCOCCOCCN(C)Cc1cc(C)co1 ZINC000894537095 583479977 /nfs/dbraw/zinc/47/99/77/583479977.db2.gz HQOCOMZXNJTZHN-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1C ZINC000894598230 583493743 /nfs/dbraw/zinc/49/37/43/583493743.db2.gz XKXPTDFUHKBCBZ-LKFCYVNXSA-N 0 1 249.358 2.026 20 0 BEADMN C[C@@H]1CN(Cc2ccnn2C2CCC2)[C@@H]1C ZINC000894627767 583495162 /nfs/dbraw/zinc/49/51/62/583495162.db2.gz JZPCZPUZYWNOAW-GHMZBOCLSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@H]1CN(Cc2cn3ccnc3s2)[C@H]1C ZINC000894627819 583495515 /nfs/dbraw/zinc/49/55/15/583495515.db2.gz KXEGDAFJBUKGGA-IUCAKERBSA-N 0 1 221.329 2.236 20 0 BEADMN Cc1nnc(CNc2cc3c(cn2)CCC3)s1 ZINC000894641287 583499203 /nfs/dbraw/zinc/49/92/03/583499203.db2.gz FBISIMZMPODPSP-UHFFFAOYSA-N 0 1 246.339 2.342 20 0 BEADMN CC(C)CCCCN[C@@H](C(N)=O)c1ccccn1 ZINC000894662726 583501107 /nfs/dbraw/zinc/50/11/07/583501107.db2.gz ZTOUABPRUAJCSH-CYBMUJFWSA-N 0 1 249.358 2.024 20 0 BEADMN C[C@]1(Br)C[C@@H]1CN1CC[C@@H](F)C1 ZINC000894669917 583503395 /nfs/dbraw/zinc/50/33/95/583503395.db2.gz ALOBUJNSEKEGHQ-HLTSFMKQSA-N 0 1 236.128 2.204 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000894691000 583508689 /nfs/dbraw/zinc/50/86/89/583508689.db2.gz XEFOEXYZBHDSRU-LLVKDONJSA-N 0 1 207.273 2.273 20 0 BEADMN CC/C=C\CNCc1ccc(OCCOC)o1 ZINC000894702116 583510174 /nfs/dbraw/zinc/51/01/74/583510174.db2.gz DIIASCRMIVGHMI-PLNGDYQASA-N 0 1 239.315 2.361 20 0 BEADMN CC1(C)CN(Cc2c[nH]cn2)[C@H]1C1CC1 ZINC000894793021 583523111 /nfs/dbraw/zinc/52/31/11/583523111.db2.gz CICGAEFSXUXUFT-NSHDSACASA-N 0 1 205.305 2.030 20 0 BEADMN CCC1CN(Cc2ccc(OCCOC)o2)C1 ZINC000894814142 583524454 /nfs/dbraw/zinc/52/44/54/583524454.db2.gz YKTVIOJGUNWYRL-UHFFFAOYSA-N 0 1 239.315 2.147 20 0 BEADMN CN(Cc1cnc2n1CCOC2)C1CC(C)(C)C1 ZINC000894861640 583534947 /nfs/dbraw/zinc/53/49/47/583534947.db2.gz XEJIZQDSQVPMSP-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cc2c(cc[nH]c2=O)o1 ZINC000894861478 583535982 /nfs/dbraw/zinc/53/59/82/583535982.db2.gz IGIZZCVFTFPZEB-DTWKUNHWSA-N 0 1 232.283 2.374 20 0 BEADMN C[C@@H]1CN(Cc2cc3c(cc[nH]c3=O)o2)[C@@H]1C ZINC000894861480 583536386 /nfs/dbraw/zinc/53/63/86/583536386.db2.gz IGIZZCVFTFPZEB-RKDXNWHRSA-N 0 1 232.283 2.374 20 0 BEADMN Cc1[nH]nc(CN2CC(C(F)(F)F)C2)c1C ZINC000894890037 583548029 /nfs/dbraw/zinc/54/80/29/583548029.db2.gz CWIXVMOHLIBIFY-UHFFFAOYSA-N 0 1 233.237 2.021 20 0 BEADMN Cc1ncc([C@H](C)Nc2nc(C)cc(N)n2)s1 ZINC000894924667 583556890 /nfs/dbraw/zinc/55/68/90/583556890.db2.gz XVPTXZICIQXHHA-ZETCQYMHSA-N 0 1 249.343 2.305 20 0 BEADMN CSc1ccc(CN2C[C@H](O)C[C@H](C)C2)o1 ZINC000894946452 583557392 /nfs/dbraw/zinc/55/73/92/583557392.db2.gz DWBJMBGQIPSEIN-VHSXEESVSA-N 0 1 241.356 2.204 20 0 BEADMN Cc1coc(CN2CC3(C2)CCCOC3)c1 ZINC000894977422 583563070 /nfs/dbraw/zinc/56/30/70/583563070.db2.gz RZZSOVSXPAFSHY-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CCCCOCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857851731 588912404 /nfs/dbraw/zinc/91/24/04/588912404.db2.gz QDWNRZGDTMDXQQ-GFCCVEGCSA-N 0 1 237.347 2.193 20 0 BEADMN F[C@]1(c2ccccc2)C[C@H]1NCc1cnc[nH]1 ZINC000895053583 583574508 /nfs/dbraw/zinc/57/45/08/583574508.db2.gz OIFFKTWROVEUGO-OLZOCXBDSA-N 0 1 231.274 2.137 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000895074684 583580514 /nfs/dbraw/zinc/58/05/14/583580514.db2.gz CNCVJISACOWZRJ-YPMHNXCESA-N 0 1 249.358 2.144 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)OC3(CCC3)C2)c1C ZINC000895082790 583583405 /nfs/dbraw/zinc/58/34/05/583583405.db2.gz HFXDMVJWWHKSPL-JTQLQIEISA-N 0 1 249.358 2.170 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)C2CCCC2)n[nH]1 ZINC000749389408 583589400 /nfs/dbraw/zinc/58/94/00/583589400.db2.gz ABFWOVRVNHKFRE-JTQLQIEISA-N 0 1 249.358 2.415 20 0 BEADMN CC[C@H](CNCc1ccc(Cl)o1)C(=O)OC ZINC000895120674 583594228 /nfs/dbraw/zinc/59/42/28/583594228.db2.gz QMSGQGURHQYKTA-MRVPVSSYSA-N 0 1 245.706 2.222 20 0 BEADMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc[nH]1 ZINC000857861905 588914798 /nfs/dbraw/zinc/91/47/98/588914798.db2.gz VYTMLSGWLXUQQC-CABZTGNLSA-N 0 1 230.315 2.466 20 0 BEADMN Cc1coc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000895149464 583605787 /nfs/dbraw/zinc/60/57/87/583605787.db2.gz HOFYLXLZIVFGMX-AOOOYVTPSA-N 0 1 213.227 2.285 20 0 BEADMN CCN(Cc1ccc(OC)o1)[C@@H]1CCCOC1 ZINC000895151368 583606829 /nfs/dbraw/zinc/60/68/29/583606829.db2.gz HINXAUWFGGLTCY-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CCc1ncc(CN[C@H]2CCCc3cn[nH]c32)o1 ZINC000857869341 588916823 /nfs/dbraw/zinc/91/68/23/588916823.db2.gz NATFTJFQPKFZBM-NSHDSACASA-N 0 1 246.314 2.127 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NC[C@H]1CCN1CC ZINC000882488357 583618118 /nfs/dbraw/zinc/61/81/18/583618118.db2.gz CNPIFOCCALXJDO-WCQYABFASA-N 0 1 240.391 2.269 20 0 BEADMN CC1(C)COC[C@H]1NCc1noc2ccccc21 ZINC000895192067 583621616 /nfs/dbraw/zinc/62/16/16/583621616.db2.gz ABYPHDNZBLQJPV-CYBMUJFWSA-N 0 1 246.310 2.342 20 0 BEADMN Cc1[nH]nc(CN2CCO[C@](C)(C3CC3)C2)c1C ZINC000895231248 583629141 /nfs/dbraw/zinc/62/91/41/583629141.db2.gz QCYVZGHNHJKUNO-AWEZNQCLSA-N 0 1 249.358 2.027 20 0 BEADMN CC[C@H]1COCCN1CCc1cccs1 ZINC000115573744 588911080 /nfs/dbraw/zinc/91/10/80/588911080.db2.gz PRZUFZUNDKIUBA-NSHDSACASA-N 0 1 225.357 2.401 20 0 BEADMN COc1cc(C)ccc1CNC[C@H]1CC(C)=NO1 ZINC000895300457 583641971 /nfs/dbraw/zinc/64/19/71/583641971.db2.gz MFJNMVWNVVTDAR-CYBMUJFWSA-N 0 1 248.326 2.258 20 0 BEADMN CC1=NO[C@@H](CNCc2ccsc2)C1 ZINC000895309345 583646681 /nfs/dbraw/zinc/64/66/81/583646681.db2.gz ASGGSQLPXJRJKE-SNVBAGLBSA-N 0 1 210.302 2.003 20 0 BEADMN CC1=NO[C@@H](CNCc2cccc(F)c2)C1 ZINC000895310550 583647125 /nfs/dbraw/zinc/64/71/25/583647125.db2.gz ITQPALZUOHRLQL-GFCCVEGCSA-N 0 1 222.263 2.080 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000895334870 583652870 /nfs/dbraw/zinc/65/28/70/583652870.db2.gz HZFLQEVRMSANJL-NEPJUHHUSA-N 0 1 249.358 2.001 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nc(C)c(C)s2)C1 ZINC000895347835 583655476 /nfs/dbraw/zinc/65/54/76/583655476.db2.gz SGMVHHHWMBIHHU-XYPYZODXSA-N 0 1 240.372 2.417 20 0 BEADMN c1csc(CC2CN(Cc3cnc[nH]3)C2)c1 ZINC000895410058 583666709 /nfs/dbraw/zinc/66/67/09/583666709.db2.gz CLGVVNOOQLXZCP-UHFFFAOYSA-N 0 1 233.340 2.146 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000895448123 583675560 /nfs/dbraw/zinc/67/55/60/583675560.db2.gz YLFLPSBBBWMRBG-WDEREUQCSA-N 0 1 226.364 2.164 20 0 BEADMN Cn1nc2c(c1CN1CC(CC3CC3)C1)CCC2 ZINC000895516924 583683449 /nfs/dbraw/zinc/68/34/49/583683449.db2.gz ZPFYEHAQLCXHOC-UHFFFAOYSA-N 0 1 245.370 2.141 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@H](CF)C2)c1C ZINC000895545664 583689026 /nfs/dbraw/zinc/68/90/26/583689026.db2.gz UYFHAGRTKBENKU-LLVKDONJSA-N 0 1 225.311 2.208 20 0 BEADMN CCCn1nccc1CN1CCC[C@@H](CF)C1 ZINC000895543940 583689359 /nfs/dbraw/zinc/68/93/59/583689359.db2.gz HBKBNCIFFRDXJE-LBPRGKRZSA-N 0 1 239.338 2.475 20 0 BEADMN COc1cncc(CN2CCC(F)CC2)c1C ZINC000895546697 583689792 /nfs/dbraw/zinc/68/97/92/583689792.db2.gz SYQKDBDKQDITKE-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN Cc1noc2ncc(CN3CCC(F)CC3)cc12 ZINC000895545842 583689978 /nfs/dbraw/zinc/68/99/78/583689978.db2.gz HYTLNALEDOTNBZ-UHFFFAOYSA-N 0 1 249.289 2.465 20 0 BEADMN COC1CCC(CN2CC3(C2)CCCO3)CC1 ZINC000895592880 583695306 /nfs/dbraw/zinc/69/53/06/583695306.db2.gz XZDQIQOAWFUVMG-UHFFFAOYSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895606070 583696885 /nfs/dbraw/zinc/69/68/85/583696885.db2.gz WFYDBPRZHOBXRH-ZYHUDNBSSA-N 0 1 238.375 2.116 20 0 BEADMN CSc1ccc(CN2C[C@H]3C[C@@]3(O)C2)s1 ZINC000895651783 583703448 /nfs/dbraw/zinc/70/34/48/583703448.db2.gz CBXRXNLWTNLMOG-LDYMZIIASA-N 0 1 241.381 2.037 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895702983 583709452 /nfs/dbraw/zinc/70/94/52/583709452.db2.gz WUVGJLGCJNURBD-VIFPVBQESA-N 0 1 246.314 2.074 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895727115 583713500 /nfs/dbraw/zinc/71/35/00/583713500.db2.gz NTBGGOBENWWHGR-RNFRBKRXSA-N 0 1 231.246 2.285 20 0 BEADMN FC(F)c1noc(CNC[C@H]2CC=CCC2)n1 ZINC000895727879 583713623 /nfs/dbraw/zinc/71/36/23/583713623.db2.gz VBNVULVGUUBKIR-QMMMGPOBSA-N 0 1 243.257 2.453 20 0 BEADMN CC(C)Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)ncn1 ZINC000895736037 583718478 /nfs/dbraw/zinc/71/84/78/583718478.db2.gz ZPOGXOQTAXLQON-WCQYABFASA-N 0 1 248.374 2.180 20 0 BEADMN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ncco1 ZINC000895766369 583719089 /nfs/dbraw/zinc/71/90/89/583719089.db2.gz SGECZROOZNSUTI-UKKRHICBSA-N 0 1 236.315 2.139 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)N[C@H](C)c1ncco1 ZINC000895764506 583722325 /nfs/dbraw/zinc/72/23/25/583722325.db2.gz IFIXEXFKEWMADV-MXWKQRLJSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@@H](N[C@H](C)C1CCOCC1)c1ncco1 ZINC000895767116 583723140 /nfs/dbraw/zinc/72/31/40/583723140.db2.gz VUWRFCANXVDLSX-NXEZZACHSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncco1)C1CCOCC1 ZINC000895767119 583723450 /nfs/dbraw/zinc/72/34/50/583723450.db2.gz VUWRFCANXVDLSX-ZJUUUORDSA-N 0 1 224.304 2.140 20 0 BEADMN OC[C@@]1(C(F)(F)F)CCN(Cc2ccco2)C1 ZINC000895844415 583734768 /nfs/dbraw/zinc/73/47/68/583734768.db2.gz LCGZMMITOMQJAA-SNVBAGLBSA-N 0 1 249.232 2.026 20 0 BEADMN OC[C@]1(C(F)(F)F)CCN(Cc2ccco2)C1 ZINC000895844413 583734918 /nfs/dbraw/zinc/73/49/18/583734918.db2.gz LCGZMMITOMQJAA-JTQLQIEISA-N 0 1 249.232 2.026 20 0 BEADMN Cc1cc(F)ncc1CN[C@@H](C)c1ccnn1C ZINC000895863819 583735972 /nfs/dbraw/zinc/73/59/72/583735972.db2.gz KMLQQKPHMXDMIN-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN COCc1ccc(CN(C)CCCF)o1 ZINC000895898050 583740951 /nfs/dbraw/zinc/74/09/51/583740951.db2.gz IWXOCCBQNAABTE-UHFFFAOYSA-N 0 1 215.268 2.217 20 0 BEADMN CN(CCCF)Cc1nn(C)c2ccccc12 ZINC000895898329 583741143 /nfs/dbraw/zinc/74/11/43/583741143.db2.gz NONQEMVMROVNLI-UHFFFAOYSA-N 0 1 235.306 2.365 20 0 BEADMN CN(CCCF)Cc1cccc2c1OCO2 ZINC000895898489 583741311 /nfs/dbraw/zinc/74/13/11/583741311.db2.gz UTNAYWDSLCZYQQ-UHFFFAOYSA-N 0 1 225.263 2.207 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2cc(C)ns2)C1 ZINC000895926702 583748286 /nfs/dbraw/zinc/74/82/86/583748286.db2.gz JPFWHKYGDNUXGA-WDEREUQCSA-N 0 1 240.372 2.451 20 0 BEADMN CSC1(CN2CC(OC(C)C)C2)CCC1 ZINC000895955797 583752564 /nfs/dbraw/zinc/75/25/64/583752564.db2.gz UWSXKHGNYABSMT-UHFFFAOYSA-N 0 1 229.389 2.381 20 0 BEADMN COC1CCC(CN2CC(OC(C)C)C2)CC1 ZINC000895955239 583752588 /nfs/dbraw/zinc/75/25/88/583752588.db2.gz COQZMXWVPFBXIA-UHFFFAOYSA-N 0 1 241.375 2.301 20 0 BEADMN CO[C@@H]1CN(C[C@@H]2CC(C)=C[C@@H](C)C2)CCO1 ZINC000895968126 583754735 /nfs/dbraw/zinc/75/47/35/583754735.db2.gz HXOZTXMODWWKGA-XBFCOCLRSA-N 0 1 239.359 2.284 20 0 BEADMN COCC1CN(CCc2cccc(Cl)c2)C1 ZINC000895969722 583754991 /nfs/dbraw/zinc/75/49/91/583754991.db2.gz MCZGXHJZYXVGAP-UHFFFAOYSA-N 0 1 239.746 2.461 20 0 BEADMN COCC1CN(Cc2csc(C)c2)C1 ZINC000895969862 583755736 /nfs/dbraw/zinc/75/57/36/583755736.db2.gz OMKGYDABNZYHKR-UHFFFAOYSA-N 0 1 211.330 2.135 20 0 BEADMN COCC1CN(Cc2cc(C)ccc2OC)C1 ZINC000895970731 583756132 /nfs/dbraw/zinc/75/61/32/583756132.db2.gz FUOSBSBQHRQLCI-UHFFFAOYSA-N 0 1 235.327 2.082 20 0 BEADMN COc1ccc(CN2CCC[C@@H](CF)C2)o1 ZINC000896000315 583760360 /nfs/dbraw/zinc/76/03/60/583760360.db2.gz RLSKOEGGMPJDLX-JTQLQIEISA-N 0 1 227.279 2.470 20 0 BEADMN C[C@H](NC1CC2(C1)CO[C@H](C)C2)c1ncco1 ZINC000896046887 583765497 /nfs/dbraw/zinc/76/54/97/583765497.db2.gz YXOPSHKICGPNRC-CFGSLIKFSA-N 0 1 236.315 2.283 20 0 BEADMN CCOc1ccc(CN(C)CCCF)o1 ZINC000896070101 583767997 /nfs/dbraw/zinc/76/79/97/583767997.db2.gz OVTWECPUKDVVOF-UHFFFAOYSA-N 0 1 215.268 2.470 20 0 BEADMN CCn1cc(CN(C)CCCF)c(C)n1 ZINC000896070504 583768040 /nfs/dbraw/zinc/76/80/40/583768040.db2.gz XKYGDXBHWCYPMY-UHFFFAOYSA-N 0 1 213.300 2.003 20 0 BEADMN CN(CCCF)Cc1ccnn1C1CCC1 ZINC000896069857 583768309 /nfs/dbraw/zinc/76/83/09/583768309.db2.gz KJZXKSYXNUTVHG-UHFFFAOYSA-N 0 1 225.311 2.400 20 0 BEADMN Cc1cc(CN(C)CCCF)cnc1F ZINC000896069676 583768320 /nfs/dbraw/zinc/76/83/20/583768320.db2.gz HBKDIYFXECYNOB-UHFFFAOYSA-N 0 1 214.259 2.321 20 0 BEADMN COc1ccc(C[N@H+]2C[C@H](OC)CC[C@@H]2C)o1 ZINC000896076937 583768675 /nfs/dbraw/zinc/76/86/75/583768675.db2.gz VIRCHJCPEMXDSO-WDEREUQCSA-N 0 1 239.315 2.288 20 0 BEADMN COc1ccc(CN2C[C@H](OC)CC[C@@H]2C)o1 ZINC000896076937 583768677 /nfs/dbraw/zinc/76/86/77/583768677.db2.gz VIRCHJCPEMXDSO-WDEREUQCSA-N 0 1 239.315 2.288 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC[C@H]1CC1(C)C ZINC000896328769 583794795 /nfs/dbraw/zinc/79/47/95/583794795.db2.gz SWXHDXMDVCXSLD-GHMZBOCLSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC000896456776 583802955 /nfs/dbraw/zinc/80/29/55/583802955.db2.gz ACLZHGBHHZWFFZ-RYUDHWBXSA-N 0 1 236.359 2.084 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@H](c1ncccn1)C1CC1 ZINC000896598193 583816973 /nfs/dbraw/zinc/81/69/73/583816973.db2.gz FFWSATXSHAEHSE-TUAOUCFPSA-N 0 1 249.383 2.411 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000896693809 583824189 /nfs/dbraw/zinc/82/41/89/583824189.db2.gz IXHXYEYWVOIKJY-GRYCIOLGSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NC(=O)[C@@H]1CCCN1C ZINC000896826747 583837146 /nfs/dbraw/zinc/83/71/46/583837146.db2.gz CEFLAVBVFFYYNO-SRVKXCTJSA-N 0 1 238.375 2.022 20 0 BEADMN CC1CC(NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC000896826491 583837189 /nfs/dbraw/zinc/83/71/89/583837189.db2.gz XOWIECQAODKROL-XNWIYYODSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)[C@@H]1C ZINC000896837770 583838773 /nfs/dbraw/zinc/83/87/73/583838773.db2.gz JNUUEXJIYIHTMC-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN CCC1(CNC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000896866685 583842580 /nfs/dbraw/zinc/84/25/80/583842580.db2.gz PFIROAKSRQQFIK-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc(CNC(=O)C=C2CC[C@@H](C)C2)[nH]c1C ZINC000896916367 583854935 /nfs/dbraw/zinc/85/49/35/583854935.db2.gz DEWCTYRHERZCCG-SZJBZFAYSA-N 0 1 247.342 2.389 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccnc(F)c2)cn1 ZINC000858174899 588937353 /nfs/dbraw/zinc/93/73/53/588937353.db2.gz YFRIVLJBJQZJKF-SNVBAGLBSA-N 0 1 248.305 2.288 20 0 BEADMN CSCC1CCN(Cc2cncnc2)CC1 ZINC000896936648 583862577 /nfs/dbraw/zinc/86/25/77/583862577.db2.gz ABGADHAHDOKUGN-UHFFFAOYSA-N 0 1 237.372 2.052 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1(C2CC2)CC1 ZINC000897031350 583870508 /nfs/dbraw/zinc/87/05/08/583870508.db2.gz WGJGGPOKQZNKER-LLVKDONJSA-N 0 1 245.326 2.094 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000897071175 583877466 /nfs/dbraw/zinc/87/74/66/583877466.db2.gz XYFXKQNDKUIQAU-ZWNOBZJWSA-N 0 1 248.326 2.000 20 0 BEADMN Cn1nc(CNC[C@H]2CCC=CO2)cc1C1CC1 ZINC000897232095 583898828 /nfs/dbraw/zinc/89/88/28/583898828.db2.gz MXOVSLHBBBGHRB-CYBMUJFWSA-N 0 1 247.342 2.080 20 0 BEADMN C[N@@H+](Cc1ccccc1CC(=O)[O-])C1CCC1 ZINC000143870212 583925052 /nfs/dbraw/zinc/92/50/52/583925052.db2.gz XJZDGBFTMMWBSN-UHFFFAOYSA-N 0 1 233.311 2.298 20 0 BEADMN C[C@H](CC1CC1)NCc1noc2c1COCC2 ZINC000897365264 583942704 /nfs/dbraw/zinc/94/27/04/583942704.db2.gz CXIIPLWFYVOLAO-SECBINFHSA-N 0 1 236.315 2.026 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1Cc1cccnc1 ZINC000871944459 583943991 /nfs/dbraw/zinc/94/39/91/583943991.db2.gz MWQJSEHLFMKCNA-UHFFFAOYSA-N 0 1 243.310 2.360 20 0 BEADMN COCc1cc(CNCC(C)(C)C2CC2)no1 ZINC000897437325 583978873 /nfs/dbraw/zinc/97/88/73/583978873.db2.gz IORPMJLTBASODE-UHFFFAOYSA-N 0 1 238.331 2.347 20 0 BEADMN C[C@@H]1C[C@@H]1CON=C(N)CN1CCCCCC1 ZINC000863456919 583991885 /nfs/dbraw/zinc/99/18/85/583991885.db2.gz OBKDTXNROBSLGO-VXGBXAGGSA-N 0 1 239.363 2.017 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000897512242 583999326 /nfs/dbraw/zinc/99/93/26/583999326.db2.gz RUGLKGONGZGFJO-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000864052639 583999623 /nfs/dbraw/zinc/99/96/23/583999623.db2.gz AKKVPUVFJBULBP-MFKMUULPSA-N 0 1 238.306 2.220 20 0 BEADMN CCONC(=O)C(C)(C)c1cccc(OC)c1 ZINC000864688367 584012456 /nfs/dbraw/zinc/01/24/56/584012456.db2.gz ABKYQPGGBHYJQT-UHFFFAOYSA-N 0 1 237.299 2.041 20 0 BEADMN CCn1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)nn1 ZINC000897570115 584019572 /nfs/dbraw/zinc/01/95/72/584019572.db2.gz OBGVMLMRRFDJTG-NSHDSACASA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN2CC3(CCC3)C[C@@H]2C)nn1 ZINC000897570115 584019574 /nfs/dbraw/zinc/01/95/74/584019574.db2.gz OBGVMLMRRFDJTG-NSHDSACASA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000897683716 584039851 /nfs/dbraw/zinc/03/98/51/584039851.db2.gz RMTFRXMCQVFUDS-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000897683716 584039853 /nfs/dbraw/zinc/03/98/53/584039853.db2.gz RMTFRXMCQVFUDS-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@H]3CCC[C@H]32)no1 ZINC000897957965 584066635 /nfs/dbraw/zinc/06/66/35/584066635.db2.gz FTEWKDCTEOBDPY-OASPWFOLSA-N 0 1 236.315 2.099 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCCC(C)(C)O2)n1 ZINC000898047413 584073482 /nfs/dbraw/zinc/07/34/82/584073482.db2.gz ZNVUKZRUUUSQMV-LLVKDONJSA-N 0 1 237.347 2.155 20 0 BEADMN Cc1occc1CNCc1ccc(CCO)cc1 ZINC000898169965 584088272 /nfs/dbraw/zinc/08/82/72/584088272.db2.gz WSZCGIREBKQYEQ-UHFFFAOYSA-N 0 1 245.322 2.413 20 0 BEADMN OCCc1ccc(CNCc2ccoc2)cc1 ZINC000898172709 584088710 /nfs/dbraw/zinc/08/87/10/584088710.db2.gz WBXKBHZBBKYDQW-UHFFFAOYSA-N 0 1 231.295 2.104 20 0 BEADMN Cc1cccc(CN2CC[C@H](O)[C@H](F)C2)c1C ZINC000898194819 584095921 /nfs/dbraw/zinc/09/59/21/584095921.db2.gz PJNGLTFYQPMVGJ-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN O[C@@H](CCNCc1nc(Cl)cs1)C1CC1 ZINC000898197463 584097777 /nfs/dbraw/zinc/09/77/77/584097777.db2.gz GPYNLOPHDJVEOW-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@H]1CN(c2nc(Cl)cs2)[C@@H](C)CN1C ZINC000858464372 588957523 /nfs/dbraw/zinc/95/75/23/588957523.db2.gz LDXZIIPCJPUNKH-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898375691 584113262 /nfs/dbraw/zinc/11/32/62/584113262.db2.gz GPLGXOWBIKXJAP-QWHCGFSZSA-N 0 1 248.326 2.067 20 0 BEADMN Cl/C=C\CNCc1ccnn1CC1CC1 ZINC000898427298 584132261 /nfs/dbraw/zinc/13/22/61/584132261.db2.gz CPOFFQLOKCALJL-KTAJNNJTSA-N 0 1 225.723 2.135 20 0 BEADMN Cc1ncc([C@H](C)NC/C=C/Cl)c(C)n1 ZINC000898429095 584133736 /nfs/dbraw/zinc/13/37/36/584133736.db2.gz REJVLUTWVYFZGI-ZJELKQJVSA-N 0 1 225.723 2.497 20 0 BEADMN Cc1ncsc1CNC/C=C\Cl ZINC000898435830 584135992 /nfs/dbraw/zinc/13/59/92/584135992.db2.gz NPEIDADUEGQDMF-IHWYPQMZSA-N 0 1 202.710 2.294 20 0 BEADMN Cc1cccn2c(CNC/C=C\Cl)cnc12 ZINC000898435659 584136009 /nfs/dbraw/zinc/13/60/09/584136009.db2.gz LIUHXJKCHQPVNN-HYXAFXHYSA-N 0 1 235.718 2.485 20 0 BEADMN CC(C)(C)n1cc(CNC/C=C\Cl)cn1 ZINC000898434886 584136042 /nfs/dbraw/zinc/13/60/42/584136042.db2.gz CLWOHURKHYFWMM-PLNGDYQASA-N 0 1 227.739 2.480 20 0 BEADMN CCN(C)c1ccc(CNC/C=C/Cl)cn1 ZINC000898434925 584136094 /nfs/dbraw/zinc/13/60/94/584136094.db2.gz ZBANZWDLKWVAPI-QPJJXVBHSA-N 0 1 239.750 2.380 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@@H]1CC12CCC2 ZINC000898572977 584142672 /nfs/dbraw/zinc/14/26/72/584142672.db2.gz GARRXGAXVGECNX-NSHDSACASA-N 0 1 235.258 2.426 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)c1c[nH]cc2ncnc1-2 ZINC000898580012 584144047 /nfs/dbraw/zinc/14/40/47/584144047.db2.gz ZRCSTXQLYHEXCC-SECBINFHSA-N 0 1 246.314 2.219 20 0 BEADMN C[C@]1(C(=O)N2CC(N3CCCC3)C2)CC=CCC1 ZINC000898600920 584145396 /nfs/dbraw/zinc/14/53/96/584145396.db2.gz HKYHLEVPCYYVTG-HNNXBMFYSA-N 0 1 248.370 2.039 20 0 BEADMN CCC(C)(C)CC(=O)N1CC(N2CCCC2)C1 ZINC000898609229 584146125 /nfs/dbraw/zinc/14/61/25/584146125.db2.gz UEBKZHFOFQWWNS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(CCCC1CC1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899106549 584175440 /nfs/dbraw/zinc/17/54/40/584175440.db2.gz HOVVGQLANKTLBK-NSHDSACASA-N 0 1 248.330 2.049 20 0 BEADMN C=C/C=C/CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000899203755 584181083 /nfs/dbraw/zinc/18/10/83/584181083.db2.gz SSGKRRAAXZSURL-NNNHXZLVSA-N 0 1 236.359 2.108 20 0 BEADMN CCCc1cc(=O)n(C2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC000899360425 584207045 /nfs/dbraw/zinc/20/70/45/584207045.db2.gz MNGOHFPIKIZZII-UWVGGRQHSA-N 0 1 238.331 2.331 20 0 BEADMN c1csc(Cn2cc([C@H]3CCCCN3)nn2)c1 ZINC000899683130 584224435 /nfs/dbraw/zinc/22/44/35/584224435.db2.gz VDJSAMXCFNPTIS-LLVKDONJSA-N 0 1 248.355 2.203 20 0 BEADMN CNC(C)(C)c1cn(-c2cc(C)cc(C)c2)nn1 ZINC000899748424 584236152 /nfs/dbraw/zinc/23/61/52/584236152.db2.gz UPPICIWRIFALGC-UHFFFAOYSA-N 0 1 244.342 2.339 20 0 BEADMN CCn1cc(CN(C)C[C@H](C)C(C)(C)C)nn1 ZINC000899889511 584247132 /nfs/dbraw/zinc/24/71/32/584247132.db2.gz FGZVXUNDDQYLEJ-NSHDSACASA-N 0 1 238.379 2.412 20 0 BEADMN C1=CC[C@@H](Cc2nc([C@@H]3CCCN3)no2)CC1 ZINC000900009724 584264871 /nfs/dbraw/zinc/26/48/71/584264871.db2.gz JHIHNANGQANRCY-MNOVXSKESA-N 0 1 233.315 2.393 20 0 BEADMN Cc1cnc(-c2nc(C3(N)CCC3)no2)cc1C ZINC000900009562 584264945 /nfs/dbraw/zinc/26/49/45/584264945.db2.gz ZHFLGBUCYHTCIW-UHFFFAOYSA-N 0 1 244.298 2.086 20 0 BEADMN CC1(c2nc(C3(N)CCC3)no2)CC=CC1 ZINC000900008924 584265013 /nfs/dbraw/zinc/26/50/13/584265013.db2.gz QSJIJALSKGWUGX-UHFFFAOYSA-N 0 1 219.288 2.015 20 0 BEADMN CCCC[C@H](CC)CNC(=O)Cc1cnc[nH]1 ZINC000900111394 584276385 /nfs/dbraw/zinc/27/63/85/584276385.db2.gz UMGVFFPCGCNTSH-NSHDSACASA-N 0 1 237.347 2.285 20 0 BEADMN C[C@H](c1cccs1)N(C)C(=O)Cc1c[nH]cn1 ZINC000900244980 584288634 /nfs/dbraw/zinc/28/86/34/584288634.db2.gz FHYIOBAZWJFKBF-SECBINFHSA-N 0 1 249.339 2.233 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1(C)CCCC1 ZINC000900378608 584299354 /nfs/dbraw/zinc/29/93/54/584299354.db2.gz UHDTWTMXZRTEJB-LLVKDONJSA-N 0 1 238.375 2.308 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC1(C)CCCC1 ZINC000900378608 584299355 /nfs/dbraw/zinc/29/93/55/584299355.db2.gz UHDTWTMXZRTEJB-LLVKDONJSA-N 0 1 238.375 2.308 20 0 BEADMN CC1CCC(C)(NC(=O)c2[nH]ncc2F)CC1 ZINC000900475187 584317823 /nfs/dbraw/zinc/31/78/23/584317823.db2.gz DQBUPFPELBINFZ-UHFFFAOYSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1cccc(N(C)C(=O)CN(C)C2CCC2)c1 ZINC000900519737 584320771 /nfs/dbraw/zinc/32/07/71/584320771.db2.gz YYLGVOAFBYSJPF-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900555893 584322869 /nfs/dbraw/zinc/32/28/69/584322869.db2.gz GYHOBPQIFRKPSX-YPMHNXCESA-N 0 1 249.358 2.427 20 0 BEADMN CCN(C(=O)Cc1c[nH]cn1)[C@H]1CCCC[C@@H]1C ZINC000900531009 584323084 /nfs/dbraw/zinc/32/30/84/584323084.db2.gz VFYCQCDTNMBACC-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)N(C(=O)Cc1c[nH]cn1)C1CCCC1 ZINC000900566273 584326199 /nfs/dbraw/zinc/32/61/99/584326199.db2.gz SREYCRYCESLHEN-UHFFFAOYSA-N 0 1 235.331 2.132 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900566996 584326340 /nfs/dbraw/zinc/32/63/40/584326340.db2.gz TXVKEJCSBMYRFP-CHWSQXEVSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000900697629 584339359 /nfs/dbraw/zinc/33/93/59/584339359.db2.gz GUCVULHKUPCJQN-WEDXCCLWSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)Cc1c[nH]cn1 ZINC000900791604 584352154 /nfs/dbraw/zinc/35/21/54/584352154.db2.gz GVZNSZUWMHAQQP-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900806915 584353468 /nfs/dbraw/zinc/35/34/68/584353468.db2.gz OGYJYAPCUJXFIM-MNOVXSKESA-N 0 1 235.331 2.037 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000900851145 584357160 /nfs/dbraw/zinc/35/71/60/584357160.db2.gz AGLSPGWPQQUHEP-QJPTWQEYSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900953711 584366530 /nfs/dbraw/zinc/36/65/30/584366530.db2.gz FOGGHJCQVVIHGU-JQWIXIFHSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)C1CCC(NC(=O)Cc2cnc[nH]2)CC1 ZINC000901089697 584383736 /nfs/dbraw/zinc/38/37/36/584383736.db2.gz MTERMJLJORZWQV-UHFFFAOYSA-N 0 1 249.358 2.283 20 0 BEADMN CCOc1ccc(-c2cc(CN)on2)cc1OC ZINC000901386082 584436176 /nfs/dbraw/zinc/43/61/76/584436176.db2.gz WHLOQNJPQNAWDJ-UHFFFAOYSA-N 0 1 248.282 2.208 20 0 BEADMN CC(C)N(C)Cc1cc([C@H]2CCCO2)no1 ZINC000901395906 584438450 /nfs/dbraw/zinc/43/84/50/584438450.db2.gz ZWQJYDLOBCIWLQ-GFCCVEGCSA-N 0 1 224.304 2.366 20 0 BEADMN CC[N@@H+](CCc1cccc(Cl)c1)CC(=O)[O-] ZINC000901426083 584442787 /nfs/dbraw/zinc/44/27/87/584442787.db2.gz AHJMJYMUHYBLIK-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN CC1=CC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000901454037 584444211 /nfs/dbraw/zinc/44/42/11/584444211.db2.gz RANFVRVTGZELTF-WDEREUQCSA-N 0 1 209.289 2.034 20 0 BEADMN C[C@H](CCc1ccco1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901447521 584447386 /nfs/dbraw/zinc/44/73/86/584447386.db2.gz BFKVKLPPLXYPIS-ZYHUDNBSSA-N 0 1 237.299 2.150 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccc2cc[nH]c21)C(=O)[O-] ZINC000901596584 584467263 /nfs/dbraw/zinc/46/72/63/584467263.db2.gz ADOCEZBXZNUDKY-JTQLQIEISA-N 0 1 246.310 2.320 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cc2ccccc2[nH]1)C(=O)[O-] ZINC000901597462 584468050 /nfs/dbraw/zinc/46/80/50/584468050.db2.gz ICNJMPOBDLEEJG-JTQLQIEISA-N 0 1 246.310 2.320 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1sccc1OC ZINC000901601522 584468332 /nfs/dbraw/zinc/46/83/32/584468332.db2.gz INQSXZWFJZPJBR-UHFFFAOYSA-N 0 1 243.328 2.053 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901677214 584476792 /nfs/dbraw/zinc/47/67/92/584476792.db2.gz SSZOTPODXKYOHR-YGRLFVJLSA-N 0 1 245.322 2.399 20 0 BEADMN CC(C)CCC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890557 584501864 /nfs/dbraw/zinc/50/18/64/584501864.db2.gz OKSXOTSNOITCHW-NSHDSACASA-N 0 1 245.388 2.172 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000901972079 584508799 /nfs/dbraw/zinc/50/87/99/584508799.db2.gz RUWREZGDMKHDSU-UHFFFAOYSA-N 0 1 244.294 2.217 20 0 BEADMN C[C@H](C[N@@H+](Cc1ccccc1O)C1CC1)C(=O)[O-] ZINC000901992496 584510149 /nfs/dbraw/zinc/51/01/49/584510149.db2.gz CSLSRFOBVOULMS-SNVBAGLBSA-N 0 1 249.310 2.077 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000901979806 584510789 /nfs/dbraw/zinc/51/07/89/584510789.db2.gz KXLHNAYGSHIORC-VIFPVBQESA-N 0 1 232.283 2.073 20 0 BEADMN CC[C@H](C)[C@H](C[N@@H+](CCC(=O)[O-])C(C)C)OC ZINC000901979916 584511069 /nfs/dbraw/zinc/51/10/69/584511069.db2.gz FKDRXWJLUCNOFA-RYUDHWBXSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@@H](C)[C@H](C[N@@H+](CCC(=O)[O-])C(C)C)OC ZINC000901979914 584511121 /nfs/dbraw/zinc/51/11/21/584511121.db2.gz FKDRXWJLUCNOFA-NEPJUHHUSA-N 0 1 245.363 2.233 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c(C)o1 ZINC000902013596 584513710 /nfs/dbraw/zinc/51/37/10/584513710.db2.gz UXBKYVQSDGZKJA-CYBMUJFWSA-N 0 1 237.299 2.336 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c(C)o1 ZINC000902013598 584513892 /nfs/dbraw/zinc/51/38/92/584513892.db2.gz UXBKYVQSDGZKJA-ZDUSSCGKSA-N 0 1 237.299 2.336 20 0 BEADMN O=C1OCCN1CN1CCC[C@H]1c1ccccc1 ZINC000902043838 584515943 /nfs/dbraw/zinc/51/59/43/584515943.db2.gz VBGBNWNMAMFPKL-ZDUSSCGKSA-N 0 1 246.310 2.233 20 0 BEADMN C[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)CC1CC1 ZINC000902149269 584530546 /nfs/dbraw/zinc/53/05/46/584530546.db2.gz KQJZZXBKRSCPCK-SREVYHEPSA-N 0 1 235.283 2.219 20 0 BEADMN CCn1cc(CNCc2ccccc2NC)cn1 ZINC000902254118 584544296 /nfs/dbraw/zinc/54/42/96/584544296.db2.gz BCRGIERAOPOCSX-UHFFFAOYSA-N 0 1 244.342 2.235 20 0 BEADMN Cc1cn[nH]c1CSC[C@@H]1CCCO1 ZINC000902291702 584548414 /nfs/dbraw/zinc/54/84/14/584548414.db2.gz JUOYNZWSUVFCAZ-VIFPVBQESA-N 0 1 212.318 2.130 20 0 BEADMN Cc1cn[nH]c1CSCCOC(C)C ZINC000902320565 584552360 /nfs/dbraw/zinc/55/23/60/584552360.db2.gz RYNXQIMRXNGACF-UHFFFAOYSA-N 0 1 214.334 2.376 20 0 BEADMN Cc1cn[nH]c1CSCc1nccc(C)n1 ZINC000902349399 584559765 /nfs/dbraw/zinc/55/97/65/584559765.db2.gz PLPCOTFCQBTJDP-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CCn1cnc(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000902325964 584560342 /nfs/dbraw/zinc/56/03/42/584560342.db2.gz ASOLVZDWAUSDJF-SECBINFHSA-N 0 1 229.274 2.180 20 0 BEADMN CC(C)C(N)=NOCC1(Br)CC1 ZINC000902326579 584560843 /nfs/dbraw/zinc/56/08/43/584560843.db2.gz GXRCNXYSFPORMM-UHFFFAOYSA-N 0 1 235.125 2.068 20 0 BEADMN COC[C@@H](CON=C(N)C(C)C)C(C)C ZINC000902329085 584561612 /nfs/dbraw/zinc/56/16/12/584561612.db2.gz WDPGRGPMDNFHAP-JTQLQIEISA-N 0 1 216.325 2.059 20 0 BEADMN CC[C@@H](CSCc1[nH]ncc1C)OC ZINC000902408536 584575331 /nfs/dbraw/zinc/57/53/31/584575331.db2.gz FPZXDJVBUJLMOA-VIFPVBQESA-N 0 1 214.334 2.376 20 0 BEADMN CCc1oc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000902432649 584595277 /nfs/dbraw/zinc/59/52/77/584595277.db2.gz QCKYQAZDUGGIGQ-UWVGGRQHSA-N 0 1 249.310 2.382 20 0 BEADMN CCCOC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000859086968 588999378 /nfs/dbraw/zinc/99/93/78/588999378.db2.gz RVRHRRCTSPPVHL-MRVPVSSYSA-N 0 1 240.307 2.125 20 0 BEADMN CC(C)CCOC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000859091829 589000087 /nfs/dbraw/zinc/00/00/87/589000087.db2.gz ZWVGMTPRUJUNKV-VXGBXAGGSA-N 0 1 242.363 2.194 20 0 BEADMN CNc1ccccc1CNCc1cc(C)nn1C ZINC000902536011 584628291 /nfs/dbraw/zinc/62/82/91/584628291.db2.gz DAAYEUYRPCQSMO-UHFFFAOYSA-N 0 1 244.342 2.060 20 0 BEADMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)C1CCC1 ZINC000902517113 584630170 /nfs/dbraw/zinc/63/01/70/584630170.db2.gz AEGUHUIGYQGHDG-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])C1CC1 ZINC000902518793 584630638 /nfs/dbraw/zinc/63/06/38/584630638.db2.gz JZKREBZLECQGDR-UHFFFAOYSA-N 0 1 213.321 2.360 20 0 BEADMN CCn1cnc(CNCCSC(C)C)c1 ZINC000902561926 584634510 /nfs/dbraw/zinc/63/45/10/584634510.db2.gz DLFZYFFUIWJNBO-UHFFFAOYSA-N 0 1 227.377 2.134 20 0 BEADMN CCC(CC)[N@@H+](CC)Cc1cc(C(=O)[O-])no1 ZINC000902547619 584635254 /nfs/dbraw/zinc/63/52/54/584635254.db2.gz RLWNHHQGTUQUPF-UHFFFAOYSA-N 0 1 240.303 2.383 20 0 BEADMN C[C@H](NC1C[C@@H]2CCC[C@H]2C1)c1ncn(C)n1 ZINC000902965296 584702010 /nfs/dbraw/zinc/70/20/10/584702010.db2.gz RUJTZNUXJBHSIO-DCAQKATOSA-N 0 1 234.347 2.044 20 0 BEADMN FC(F)C1(N[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902981210 584708367 /nfs/dbraw/zinc/70/83/67/584708367.db2.gz JCVWFOSBQFDYBC-FBDQPXRJSA-N 0 1 243.297 2.187 20 0 BEADMN F[C@H]1CCCN(CCc2ccccn2)C1 ZINC000902991923 584710163 /nfs/dbraw/zinc/71/01/63/584710163.db2.gz FKSPNSGEBGFQPS-NSHDSACASA-N 0 1 208.280 2.058 20 0 BEADMN F[C@@H]1CCCN(CCc2ccccn2)C1 ZINC000902991922 584710375 /nfs/dbraw/zinc/71/03/75/584710375.db2.gz FKSPNSGEBGFQPS-LLVKDONJSA-N 0 1 208.280 2.058 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000902991852 584710433 /nfs/dbraw/zinc/71/04/33/584710433.db2.gz CUDSXBROGXRESB-NEPJUHHUSA-N 0 1 227.323 2.380 20 0 BEADMN CC1(C)CC[C@H](CN2CCC[C@H](F)C2)O1 ZINC000902994735 584712351 /nfs/dbraw/zinc/71/23/51/584712351.db2.gz HXWWFZZDEZVYMG-WDEREUQCSA-N 0 1 215.312 2.378 20 0 BEADMN CC(C)CC[C@H](O)CN1CCC[C@@H](F)C1 ZINC000902995871 584713779 /nfs/dbraw/zinc/71/37/79/584713779.db2.gz OTBLHBREYZZSEN-NEPJUHHUSA-N 0 1 217.328 2.217 20 0 BEADMN CC(C)CC1(N[C@H](C)c2cn(C)nn2)CC1 ZINC000903056284 584722361 /nfs/dbraw/zinc/72/23/61/584722361.db2.gz KVKSABUOVBMPTN-SNVBAGLBSA-N 0 1 222.336 2.044 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1cc(C(C)C)no1 ZINC000903098898 584726800 /nfs/dbraw/zinc/72/68/00/584726800.db2.gz VDWLYYXMULAYMQ-DGCLKSJQSA-N 0 1 238.331 2.455 20 0 BEADMN C[C@H](N[C@H]1CCCc2cn[nH]c21)C(F)F ZINC000903094972 584729207 /nfs/dbraw/zinc/72/92/07/584729207.db2.gz QVVFQZZKQDAPIH-XPUUQOCRSA-N 0 1 215.247 2.030 20 0 BEADMN c1cn2c(n1)[C@H](N[C@@H]1CCOC13CCCC3)CC2 ZINC000903178635 584733342 /nfs/dbraw/zinc/73/33/42/584733342.db2.gz XVMCFSURFYBKIS-VXGBXAGGSA-N 0 1 247.342 2.019 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C2CC2)n1 ZINC000903267866 584741515 /nfs/dbraw/zinc/74/15/15/584741515.db2.gz GONSZWBZQUTQIX-GXFFZTMASA-N 0 1 231.343 2.321 20 0 BEADMN C[C@H](N[C@H](c1ncccn1)C1CC1)[C@@H]1CCCO1 ZINC000903324307 584747486 /nfs/dbraw/zinc/74/74/86/584747486.db2.gz DHIHWZWIGPGCNH-DRZSPHRISA-N 0 1 247.342 2.085 20 0 BEADMN COC[C@@H](N[C@@H](c1ncccn1)C1CC1)C(C)C ZINC000903326371 584753309 /nfs/dbraw/zinc/75/33/09/584753309.db2.gz LCIFWXZQMQNDOR-CHWSQXEVSA-N 0 1 249.358 2.188 20 0 BEADMN c1cnc([C@@H](N[C@H]2CCCSC2)C2CC2)nc1 ZINC000903327381 584753604 /nfs/dbraw/zinc/75/36/04/584753604.db2.gz SJAQXKDSOFEJFD-RYUDHWBXSA-N 0 1 249.383 2.413 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)[O-])[C@H]1c1ccccc1 ZINC000903411111 584759436 /nfs/dbraw/zinc/75/94/36/584759436.db2.gz KETLMQZHUMULIQ-GXFFZTMASA-N 0 1 219.284 2.154 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903417094 584760279 /nfs/dbraw/zinc/76/02/79/584760279.db2.gz VOLKYPBNJFTUBE-GZBFAFLISA-N 0 1 245.322 2.123 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)CCC(=O)[O-])c1F ZINC000903401600 584760692 /nfs/dbraw/zinc/76/06/92/584760692.db2.gz UPOGLALJSPPQMP-UHFFFAOYSA-N 0 1 243.253 2.180 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](C)CCC(=O)[O-])c1F ZINC000903401600 584760693 /nfs/dbraw/zinc/76/06/93/584760693.db2.gz UPOGLALJSPPQMP-UHFFFAOYSA-N 0 1 243.253 2.180 20 0 BEADMN COC[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859140695 589008316 /nfs/dbraw/zinc/00/83/16/589008316.db2.gz SWFSZTAJOWGYNJ-GFCCVEGCSA-N 0 1 238.306 2.079 20 0 BEADMN CCN(Cc1cc(Cl)n(C)n1)C1CCC1 ZINC000859146286 589009362 /nfs/dbraw/zinc/00/93/62/589009362.db2.gz UMSWDEVPYSGCOQ-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000903594642 584785377 /nfs/dbraw/zinc/78/53/77/584785377.db2.gz FBHAPLGBKHPYEI-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000903596229 584785949 /nfs/dbraw/zinc/78/59/49/584785949.db2.gz SCTSUMFWVSJLPA-ONGXEEELSA-N 0 1 225.288 2.211 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903596764 584786173 /nfs/dbraw/zinc/78/61/73/584786173.db2.gz SFRMPRRJZRPHBM-ILWJIGKKSA-N 0 1 247.285 2.074 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000903596422 584786321 /nfs/dbraw/zinc/78/63/21/584786321.db2.gz UDRIWICBHSVJJD-VHSXEESVSA-N 0 1 201.310 2.074 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CC1CCCCCC1 ZINC000903616569 584786949 /nfs/dbraw/zinc/78/69/49/584786949.db2.gz IFEYZGYBPPCWRV-RYUDHWBXSA-N 0 1 243.322 2.454 20 0 BEADMN CSCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620990 584787351 /nfs/dbraw/zinc/78/73/51/584787351.db2.gz LEWBEMSFBOTDIQ-UHFFFAOYSA-N 0 1 247.404 2.418 20 0 BEADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC[C@@H](CF)C1 ZINC000903611420 584787626 /nfs/dbraw/zinc/78/76/26/584787626.db2.gz MOOHEMFODUCISC-WCBMZHEXSA-N 0 1 243.303 2.165 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000903693718 584789666 /nfs/dbraw/zinc/78/96/66/584789666.db2.gz MTQGGODRBNRFKW-MOENNCHZSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1O ZINC000903697527 584790139 /nfs/dbraw/zinc/79/01/39/584790139.db2.gz JSMLMFYEMDPTCT-AWEZNQCLSA-N 0 1 249.310 2.140 20 0 BEADMN C[C@H]1CCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695878 584790152 /nfs/dbraw/zinc/79/01/52/584790152.db2.gz LNKCTVBKVOIDHB-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000903702090 584790472 /nfs/dbraw/zinc/79/04/72/584790472.db2.gz PNEJUBSDFIYHQT-ADPBJBESSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000903703160 584790490 /nfs/dbraw/zinc/79/04/90/584790490.db2.gz TZNMFPINRFHATQ-RSJDFQLWSA-N 0 1 225.332 2.075 20 0 BEADMN CO[C@H](C)C[N@@H+](Cc1ccnc(F)c1)C(C)C ZINC000859148430 589009626 /nfs/dbraw/zinc/00/96/26/589009626.db2.gz QSMVCLPVHWUYMO-LLVKDONJSA-N 0 1 240.322 2.466 20 0 BEADMN C[C@]12C[N@H+]([C@@H](C(=O)[O-])C3CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903707673 584791194 /nfs/dbraw/zinc/79/11/94/584791194.db2.gz QXTXDRYSJQRJID-GGAZOKNXSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000903889509 584813887 /nfs/dbraw/zinc/81/38/87/584813887.db2.gz MQVAZWJJRMFXBN-KWCYVHTRSA-N 0 1 247.338 2.443 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885188 584818758 /nfs/dbraw/zinc/81/87/58/584818758.db2.gz IVPWCSHVFMNQSI-KGYLQXTDSA-N 0 1 233.311 2.400 20 0 BEADMN CC[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893354 584819048 /nfs/dbraw/zinc/81/90/48/584819048.db2.gz CHCOXPVBVQBIRV-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903894291 584819979 /nfs/dbraw/zinc/81/99/79/584819979.db2.gz SHXFKQRPRHYPCC-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN COC/C(C)=C\C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000903900652 584820589 /nfs/dbraw/zinc/82/05/89/584820589.db2.gz OJMMRXIORUGIKW-XGICHPGQSA-N 0 1 243.347 2.012 20 0 BEADMN CC[N@H+](CC(=O)[O-])CC1CCC2(CC2)CC1 ZINC000903901079 584820774 /nfs/dbraw/zinc/82/07/74/584820774.db2.gz ZYAQRXBLZBZVIT-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000903908738 584822084 /nfs/dbraw/zinc/82/20/84/584822084.db2.gz AQSKEHYFPMSATD-RWMBFGLXSA-N 0 1 237.343 2.219 20 0 BEADMN C/C=C/C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903911676 584822458 /nfs/dbraw/zinc/82/24/58/584822458.db2.gz LRNTVOQVMCBXSI-NLMCREIYSA-N 0 1 237.343 2.385 20 0 BEADMN CC1CC(C[N@H+]2CC[C@]3(C(=O)[O-])CCC[C@H]23)C1 ZINC000903913768 584822543 /nfs/dbraw/zinc/82/25/43/584822543.db2.gz ULEBDSXHFSRYKG-CXHDDBMJSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@H](C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920163 584823218 /nfs/dbraw/zinc/82/32/18/584823218.db2.gz DDZATFUBOQOILI-JTQLQIEISA-N 0 1 249.310 2.378 20 0 BEADMN CCN1CCN(C(=O)OCCC(C)C)[C@@H](C)C1 ZINC000859157269 589011493 /nfs/dbraw/zinc/01/14/93/589011493.db2.gz ZWCFRAVOMSXFLG-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN CC(C)C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903948114 584829864 /nfs/dbraw/zinc/82/98/64/584829864.db2.gz CDZPUTNUTSDMCN-IRCOFANPSA-N 0 1 227.348 2.462 20 0 BEADMN CC(C)C[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903948117 584830113 /nfs/dbraw/zinc/83/01/13/584830113.db2.gz CDZPUTNUTSDMCN-WHOHXGKFSA-N 0 1 227.348 2.462 20 0 BEADMN CSCC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903950898 584831050 /nfs/dbraw/zinc/83/10/50/584831050.db2.gz RTCFAPJYWZIQCY-ZDCRXTMVSA-N 0 1 245.388 2.169 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CC2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952519 584831374 /nfs/dbraw/zinc/83/13/74/584831374.db2.gz ZPXRXHVIOKPCCC-FYLLDIAZSA-N 0 1 225.332 2.216 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000873646301 584866852 /nfs/dbraw/zinc/86/68/52/584866852.db2.gz CMTXSDAUSYBKAH-YVECIDJPSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000828594346 584904092 /nfs/dbraw/zinc/90/40/92/584904092.db2.gz AAURJAUYIQDSKX-CHWSQXEVSA-N 0 1 233.311 2.167 20 0 BEADMN C/C=C\COC(=O)[C@H](CC)N(CC)CC ZINC000741032448 584904289 /nfs/dbraw/zinc/90/42/89/584904289.db2.gz KBMHBUVKZRAHOH-GWZUUTHWSA-N 0 1 213.321 2.226 20 0 BEADMN c1nc(CNC[C@H]2COc3ccccc3C2)co1 ZINC000758300894 584905187 /nfs/dbraw/zinc/90/51/87/584905187.db2.gz HEBJKLDOXVEPGS-NSHDSACASA-N 0 1 244.294 2.016 20 0 BEADMN CC[C@@H](C)CN(C)CN1CCSC1=O ZINC000732181869 584934406 /nfs/dbraw/zinc/93/44/06/584934406.db2.gz BHERUMQTPPFLHJ-SECBINFHSA-N 0 1 216.350 2.091 20 0 BEADMN CN(CCn1cccn1)C[C@@H]1CC1(Cl)Cl ZINC000732412656 584936855 /nfs/dbraw/zinc/93/68/55/584936855.db2.gz JGQFWBCXFVOAMP-VIFPVBQESA-N 0 1 248.157 2.009 20 0 BEADMN CCC[C@@H](C)C(=O)NCc1cc(CC)[nH]n1 ZINC000733153950 584943763 /nfs/dbraw/zinc/94/37/63/584943763.db2.gz JTVOQINRHZGDJZ-SECBINFHSA-N 0 1 223.320 2.025 20 0 BEADMN Cc1cc(CNC(=O)C=C(C2CC2)C2CC2)n[nH]1 ZINC000733286019 584945694 /nfs/dbraw/zinc/94/56/94/584945694.db2.gz ONTWMOOACVXMKG-UHFFFAOYSA-N 0 1 245.326 2.081 20 0 BEADMN CC(C)C1CN(Cc2cnc(N(C)C)s2)C1 ZINC000684409070 584945726 /nfs/dbraw/zinc/94/57/26/584945726.db2.gz YMAJJUDITBDRFE-UHFFFAOYSA-N 0 1 239.388 2.297 20 0 BEADMN CC(C)[C@H]1CC(=O)N(C[N@@H+](C)C2CCCC2)C1 ZINC000733290859 584945832 /nfs/dbraw/zinc/94/58/32/584945832.db2.gz CPRARZVRBXYSGB-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1nonc1C[N@H+](C)C1CCCCC1 ZINC000733896787 584954809 /nfs/dbraw/zinc/95/48/09/584954809.db2.gz XDROVMPFBXLOGI-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN Cc1nonc1CN(C)C1CCCCC1 ZINC000733896787 584954810 /nfs/dbraw/zinc/95/48/10/584954810.db2.gz XDROVMPFBXLOGI-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN C[C@](O)(CNCc1nccs1)c1ccccc1 ZINC000734004740 584955998 /nfs/dbraw/zinc/95/59/98/584955998.db2.gz FSKIZTMSDVBISJ-ZDUSSCGKSA-N 0 1 248.351 2.140 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C)CC1 ZINC000734146136 584957420 /nfs/dbraw/zinc/95/74/20/584957420.db2.gz DDHYCPIMPVIOBI-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN CC(C)(NC(=O)C=C1CCCCC1)c1c[nH]nn1 ZINC000734402463 584961412 /nfs/dbraw/zinc/96/14/12/584961412.db2.gz DVMHNYLJXKNWRQ-UHFFFAOYSA-N 0 1 248.330 2.047 20 0 BEADMN C[C@@H](CNC(=O)[C@H]1CCCCN1C)C(C)(C)C ZINC000734548832 584964926 /nfs/dbraw/zinc/96/49/26/584964926.db2.gz GYPLKSIFSMXWAJ-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CCN(Cc2coc(C3CC3)n2)C(C)(C)C1 ZINC000769447035 584965762 /nfs/dbraw/zinc/96/57/62/584965762.db2.gz QGVSNOAPEBMECH-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@@H]1C(F)F ZINC000820869642 585014832 /nfs/dbraw/zinc/01/48/32/585014832.db2.gz WWJIZMILKQQOJH-MRVPVSSYSA-N 0 1 245.200 2.011 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[O-] ZINC000736812680 585016583 /nfs/dbraw/zinc/01/65/83/585016583.db2.gz CJJTYZIJNYQLGQ-LBPRGKRZSA-N 0 1 248.326 2.261 20 0 BEADMN CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)[O-])o1 ZINC000737259576 585028090 /nfs/dbraw/zinc/02/80/90/585028090.db2.gz SVEHKTVRSVZYQL-LLVKDONJSA-N 0 1 237.299 2.454 20 0 BEADMN CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)[O-])o1 ZINC000737259576 585028091 /nfs/dbraw/zinc/02/80/91/585028091.db2.gz SVEHKTVRSVZYQL-LLVKDONJSA-N 0 1 237.299 2.454 20 0 BEADMN CCCNC(=O)CN(C)Cc1c(C)cccc1C ZINC000738300061 585042353 /nfs/dbraw/zinc/04/23/53/585042353.db2.gz UGAQBEUBKKINCA-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCn1ncc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000838818695 585071811 /nfs/dbraw/zinc/07/18/11/585071811.db2.gz ZOMZNYALXJNOSK-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCCC(C)(C)CC2)n1 ZINC000838850575 585074875 /nfs/dbraw/zinc/07/48/75/585074875.db2.gz NSKBZNZMWRBGPW-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@H](C)CN(CC)Cc1cnn(CC)n1 ZINC000838854308 585074962 /nfs/dbraw/zinc/07/49/62/585074962.db2.gz MXRMJOROVBZXQK-NSHDSACASA-N 0 1 224.352 2.166 20 0 BEADMN C[C@@H](CC(=O)OCc1c[nH]nn1)CC(C)(C)C ZINC000838903534 585077261 /nfs/dbraw/zinc/07/72/61/585077261.db2.gz YDCNYJVDIOVCEF-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN CCCCC[C@@H](C)NCc1cnn(CC)n1 ZINC000838894839 585078756 /nfs/dbraw/zinc/07/87/56/585078756.db2.gz KKOZTIQDBPLWRU-LLVKDONJSA-N 0 1 224.352 2.356 20 0 BEADMN Cc1csc(C(C)(C)NC[C@H](O)C2CC2)n1 ZINC000838896076 585079341 /nfs/dbraw/zinc/07/93/41/585079341.db2.gz XGNDUJKXFIXAKH-JTQLQIEISA-N 0 1 240.372 2.047 20 0 BEADMN CC1(CC(=O)OCc2c[nH]nn2)CCCCC1 ZINC000838897298 585079346 /nfs/dbraw/zinc/07/93/46/585079346.db2.gz DIFLCUHEZALLKU-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CC[C@@H](C)CCCCC(=O)OCc1c[nH]nn1 ZINC000838898800 585079520 /nfs/dbraw/zinc/07/95/20/585079520.db2.gz XIVSRRPGYPMETF-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)OCc2c[nH]nn2)CC1 ZINC000838898887 585079679 /nfs/dbraw/zinc/07/96/79/585079679.db2.gz YTATVLSSDGWOMD-MGCOHNPYSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)CCCCCC(=O)OCc1c[nH]nn1 ZINC000838902400 585080353 /nfs/dbraw/zinc/08/03/53/585080353.db2.gz YIAUYXTWEWQPDS-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN CCc1nc([C@H](C)NC[C@H](O)C2CC2)cs1 ZINC000838930857 585081455 /nfs/dbraw/zinc/08/14/55/585081455.db2.gz NBQIKGOGZQHKQY-KWQFWETISA-N 0 1 240.372 2.127 20 0 BEADMN CCn1ncc(CNCC(C)(C)CC(C)C)n1 ZINC000838976051 585083632 /nfs/dbraw/zinc/08/36/32/585083632.db2.gz ZMMLYZCFGTYEDD-UHFFFAOYSA-N 0 1 238.379 2.460 20 0 BEADMN CCn1ncc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC000839008200 585086787 /nfs/dbraw/zinc/08/67/87/585086787.db2.gz LEKRVECQIDBYRH-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN Cc1ccc(CN[C@@H]2CCO[C@@H]2C)c(Cl)n1 ZINC000839022997 585087535 /nfs/dbraw/zinc/08/75/35/585087535.db2.gz BXBGFONYQPBCJL-MWLCHTKSSA-N 0 1 240.734 2.310 20 0 BEADMN CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000003747826 585091371 /nfs/dbraw/zinc/09/13/71/585091371.db2.gz QAVTYBFZFNGBKY-ZDUSSCGKSA-N 0 1 249.310 2.134 20 0 BEADMN CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000003747828 585091373 /nfs/dbraw/zinc/09/13/73/585091373.db2.gz YBCFXTUGEHIMBC-ZDUSSCGKSA-N 0 1 249.310 2.134 20 0 BEADMN CC1(CO)CN(Cc2cncc3ccccc32)C1 ZINC000839145450 585092074 /nfs/dbraw/zinc/09/20/74/585092074.db2.gz KSAPHBQJSFQQHX-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN CCOC(=O)CC(C)(C)CN1CC[C@@H](F)C1 ZINC000839122578 585092946 /nfs/dbraw/zinc/09/29/46/585092946.db2.gz NRPOLVCAZJTQCV-SNVBAGLBSA-N 0 1 231.311 2.010 20 0 BEADMN C[C@@]1(CNCc2cnccn2)CC1(Cl)Cl ZINC000839127894 585093874 /nfs/dbraw/zinc/09/38/74/585093874.db2.gz ZVIOYZFFJIKYES-VIFPVBQESA-N 0 1 246.141 2.150 20 0 BEADMN CC(C)C1(O)CN([C@H](C)Cc2ccsc2)C1 ZINC000839133898 585094032 /nfs/dbraw/zinc/09/40/32/585094032.db2.gz XPGTZCJFVKRXIY-LLVKDONJSA-N 0 1 239.384 2.382 20 0 BEADMN Cc1ccsc1CN1CC(O)(C(C)C)C1 ZINC000839133450 585094163 /nfs/dbraw/zinc/09/41/63/585094163.db2.gz UFJKDKDZHWMAHZ-UHFFFAOYSA-N 0 1 225.357 2.259 20 0 BEADMN C[C@H](NC[C@H]1CC1(Cl)Cl)c1ccn(C)n1 ZINC000839195837 585098647 /nfs/dbraw/zinc/09/86/47/585098647.db2.gz IDTHDYOLLPSKER-JGVFFNPUSA-N 0 1 248.157 2.265 20 0 BEADMN CC[C@@H]1OCC[C@H]1NC/C(Cl)=C\Cl ZINC000839198682 585099239 /nfs/dbraw/zinc/09/92/39/585099239.db2.gz TZKVTIUQWDZIGL-FQDVODHFSA-N 0 1 224.131 2.463 20 0 BEADMN CC[C@@H]1OCC[C@H]1NC/C(Cl)=C/Cl ZINC000839198816 585099399 /nfs/dbraw/zinc/09/93/99/585099399.db2.gz TZKVTIUQWDZIGL-ZONUIFDKSA-N 0 1 224.131 2.463 20 0 BEADMN CC[C@H](C)OC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741014902 585108990 /nfs/dbraw/zinc/10/89/90/585108990.db2.gz RPEIFQJHPHRCAU-NWDGAFQWSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)COC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741010016 585109188 /nfs/dbraw/zinc/10/91/88/585109188.db2.gz ANCWIIPEHUDJQY-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](C)OC(=O)[C@H](CC)N(CC)CC ZINC000741031964 585109437 /nfs/dbraw/zinc/10/94/37/585109437.db2.gz BZKAFEHJHUJYPG-MNOVXSKESA-N 0 1 215.337 2.449 20 0 BEADMN CCCCOC(=O)[C@H](CC)N(CC)CC ZINC000741032562 585109449 /nfs/dbraw/zinc/10/94/49/585109449.db2.gz HCTCOOJAJQKUAI-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)CCC ZINC000741781740 585118582 /nfs/dbraw/zinc/11/85/82/585118582.db2.gz OXZIPAHREFOEBU-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000741782736 585118680 /nfs/dbraw/zinc/11/86/80/585118680.db2.gz YQHIGURKVHFTNH-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@H]1C ZINC000741795624 585119714 /nfs/dbraw/zinc/11/97/14/585119714.db2.gz POWPDZNRLNLJBP-AXFHLTTASA-N 0 1 213.321 2.058 20 0 BEADMN CCC(N)=NOCCOc1cccc(F)c1 ZINC000742354077 585124917 /nfs/dbraw/zinc/12/49/17/585124917.db2.gz KDXIOMOSOLVXLS-UHFFFAOYSA-N 0 1 226.251 2.113 20 0 BEADMN CCC(N)=NOCCOc1ccccc1F ZINC000742580724 585128209 /nfs/dbraw/zinc/12/82/09/585128209.db2.gz XADZNNGBHLSKHZ-UHFFFAOYSA-N 0 1 226.251 2.113 20 0 BEADMN S=c1[nH]ccn1CN1CCCCCCC1 ZINC000743347033 585135758 /nfs/dbraw/zinc/13/57/58/585135758.db2.gz FCLQOSAKIAAQPG-UHFFFAOYSA-N 0 1 225.361 2.395 20 0 BEADMN CCN(CCc1ccccn1)Cc1cc(C)no1 ZINC000744194819 585145793 /nfs/dbraw/zinc/14/57/93/585145793.db2.gz UZWQWMRVAWIUKO-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN CCSCCOC(=O)[C@H](CC)N(CC)CC ZINC000745094208 585156652 /nfs/dbraw/zinc/15/66/52/585156652.db2.gz XADPCSUDPGSPHQ-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN Cc1nc(NC(=O)CN)sc1-c1ccccc1 ZINC000746327648 585167556 /nfs/dbraw/zinc/16/75/56/585167556.db2.gz JQQBRRRFQYOBIJ-UHFFFAOYSA-N 0 1 247.323 2.016 20 0 BEADMN Cc1ccccc1[C@H](CO)NCc1ccoc1 ZINC000747100744 585175135 /nfs/dbraw/zinc/17/51/35/585175135.db2.gz QVXVMYQEFMHZEP-AWEZNQCLSA-N 0 1 231.295 2.411 20 0 BEADMN Cc1cc(N2Cc3ccccc3[C@H]2C)nc(N)n1 ZINC000747227221 585177106 /nfs/dbraw/zinc/17/71/06/585177106.db2.gz SVGDJKGGNGBYAJ-SNVBAGLBSA-N 0 1 240.310 2.448 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H](C)C(C)(C)C)c1C ZINC000747518149 585180306 /nfs/dbraw/zinc/18/03/06/585180306.db2.gz KRLZMQSYXWKHPP-QMMMGPOBSA-N 0 1 237.347 2.439 20 0 BEADMN C[C@H]1C[C@H](C)N(CC(=O)Nc2ccc(O)cc2)C1 ZINC000747531518 585180386 /nfs/dbraw/zinc/18/03/86/585180386.db2.gz XZQMGCAQYRMPTC-QWRGUYRKSA-N 0 1 248.326 2.061 20 0 BEADMN CCCCC[C@H](C)CC(=O)NCc1c[nH]nn1 ZINC000748415751 585192718 /nfs/dbraw/zinc/19/27/18/585192718.db2.gz BIGSJAINVVSUKM-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN COC(=O)/C(C)=C/CN1CC[C@H](c2ccco2)C1 ZINC000748818284 585196574 /nfs/dbraw/zinc/19/65/74/585196574.db2.gz TWWKZEFHJHHNOE-JVOXIWMLSA-N 0 1 249.310 2.188 20 0 BEADMN CN(CCS(C)(=O)=O)C1CCCCCCC1 ZINC000748803205 585196605 /nfs/dbraw/zinc/19/66/05/585196605.db2.gz SSPZJTVMLCOFGA-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CC[C@H](O)CN(CCF)Cc1ccccc1 ZINC000749462991 585202781 /nfs/dbraw/zinc/20/27/81/585202781.db2.gz IDDJKZNLGQTJFD-ZDUSSCGKSA-N 0 1 225.307 2.229 20 0 BEADMN CO[C@H](C)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000749565419 585203925 /nfs/dbraw/zinc/20/39/25/585203925.db2.gz PCSOKXJMRGRSMU-MRVPVSSYSA-N 0 1 247.298 2.235 20 0 BEADMN CC(C)CN(C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749945926 585208845 /nfs/dbraw/zinc/20/88/45/585208845.db2.gz OECNTDQEVKYEFA-CHWSQXEVSA-N 0 1 238.375 2.323 20 0 BEADMN CCCN(C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749947915 585208959 /nfs/dbraw/zinc/20/89/59/585208959.db2.gz IWLWOWOLKRZCKX-RYUDHWBXSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@@H](C(=O)NC1CCCCCCC1)N(C)C ZINC000750015821 585209539 /nfs/dbraw/zinc/20/95/39/585209539.db2.gz PZXUMAJDPUWJFC-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC=C(C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000751120317 585224296 /nfs/dbraw/zinc/22/42/96/585224296.db2.gz OPADDGXWRGNUSE-YCRREMRBSA-N 0 1 242.282 2.376 20 0 BEADMN CSC=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000751460046 585230632 /nfs/dbraw/zinc/23/06/32/585230632.db2.gz MZAYOSZMYAHEED-SREVYHEPSA-N 0 1 233.296 2.378 20 0 BEADMN CS/C=C\C(=O)NCc1nc2ccccc2[nH]1 ZINC000751466385 585231126 /nfs/dbraw/zinc/23/11/26/585231126.db2.gz OQQSOVWQPOJUIF-SREVYHEPSA-N 0 1 247.323 2.056 20 0 BEADMN CCCCCC(C)(C)C(=O)NCCN1CCC1 ZINC000752297071 585244620 /nfs/dbraw/zinc/24/46/20/585244620.db2.gz IPTDQJKVJSEZRA-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CCC[C@@H](C)CCCN1CCOC[C@H]1CCO ZINC000859217602 589020370 /nfs/dbraw/zinc/02/03/70/589020370.db2.gz RPYQAOQSHURETH-ZIAGYGMSSA-N 0 1 243.391 2.286 20 0 BEADMN CC/C=C(/C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000753017894 585252387 /nfs/dbraw/zinc/25/23/87/585252387.db2.gz OGXGFDITXHNSQJ-POHAHGRESA-N 0 1 233.315 2.442 20 0 BEADMN CCCC(CCC)C(=O)OCc1n[nH]c(C)n1 ZINC000753560124 585261686 /nfs/dbraw/zinc/26/16/86/585261686.db2.gz VZCOGIXCKCBSBG-UHFFFAOYSA-N 0 1 239.319 2.373 20 0 BEADMN CCC(=O)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000753750728 585268326 /nfs/dbraw/zinc/26/83/26/585268326.db2.gz WEZHNIVPASVBKK-ONGXEEELSA-N 0 1 201.285 2.036 20 0 BEADMN CC1=CCN(Cc2ccnc(N(C)C)c2)CC1 ZINC000754075580 585277655 /nfs/dbraw/zinc/27/76/55/585277655.db2.gz PCBRYSCHTYMEPW-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN CC(C)CON=C(N)CN1CCCCCC1 ZINC000754294129 585282155 /nfs/dbraw/zinc/28/21/55/585282155.db2.gz ZLWBMCFWJWTMLQ-UHFFFAOYSA-N 0 1 227.352 2.017 20 0 BEADMN CCN1CCN(C/C(Cl)=C/Cl)C[C@H]1C ZINC000754375068 585283469 /nfs/dbraw/zinc/28/34/69/585283469.db2.gz ZUYIEOLPOLWMOF-WPVMNKCKSA-N 0 1 237.174 2.331 20 0 BEADMN CC1(C)CCN1C[C@@H](O)c1ccccc1F ZINC000754658263 585288932 /nfs/dbraw/zinc/28/89/32/585288932.db2.gz KIUDYHITSGQSQB-GFCCVEGCSA-N 0 1 223.291 2.343 20 0 BEADMN CCC(=CC(=O)OCc1n[nH]c(CC)n1)CC ZINC000754843787 585291440 /nfs/dbraw/zinc/29/14/40/585291440.db2.gz RQWIUABDSUJDCL-UHFFFAOYSA-N 0 1 237.303 2.157 20 0 BEADMN Cc1nn(C)cc1CNCc1c(C)cccc1F ZINC000756031400 585313366 /nfs/dbraw/zinc/31/33/66/585313366.db2.gz ZWLDHFDDCCKIQI-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@@H]2C[C@@H]21 ZINC000839535441 585329537 /nfs/dbraw/zinc/32/95/37/585329537.db2.gz XVAGAIVEPVMGDZ-BZPMIXESSA-N 0 1 244.338 2.132 20 0 BEADMN CON(Cc1ccccc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000839546733 585330177 /nfs/dbraw/zinc/33/01/77/585330177.db2.gz NOWHPQJYHKILMN-JTQLQIEISA-N 0 1 246.314 2.238 20 0 BEADMN Cc1cc(CN(C)C2(CO)CC2)cc(Cl)n1 ZINC000839602663 585331621 /nfs/dbraw/zinc/33/16/21/585331621.db2.gz WWWUTSQKVWPUFG-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN FC1(F)CCN(CCc2cncs2)CC1 ZINC000839587699 585332021 /nfs/dbraw/zinc/33/20/21/585332021.db2.gz DUBSFEQVNJXOLN-UHFFFAOYSA-N 0 1 232.299 2.417 20 0 BEADMN Cc1nc(CN(C)c2ccc(C)cc2F)n[nH]1 ZINC000839648873 585333458 /nfs/dbraw/zinc/33/34/58/585333458.db2.gz RKRBYYBOKNRSQS-UHFFFAOYSA-N 0 1 234.278 2.197 20 0 BEADMN COC(=O)[C@]1(C)CCCN(C/C=C/Cl)C1 ZINC000839665008 585334489 /nfs/dbraw/zinc/33/44/89/585334489.db2.gz FSEHVBVSNDUTES-DUMNWFOQSA-N 0 1 231.723 2.014 20 0 BEADMN CC(C)COC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000839681958 585337028 /nfs/dbraw/zinc/33/70/28/585337028.db2.gz WWLFDKXJIUKALP-CYBMUJFWSA-N 0 1 239.359 2.308 20 0 BEADMN CC[C@H](C)COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758138359 585350711 /nfs/dbraw/zinc/35/07/11/585350711.db2.gz NQLTXVBZQHWDNP-VHSXEESVSA-N 0 1 236.315 2.419 20 0 BEADMN Cc1cnc(=S)n(CN2C[C@@H](C)[C@H](C)C2)c1 ZINC000758341381 585354147 /nfs/dbraw/zinc/35/41/47/585354147.db2.gz SBFDHLXBLSBZCG-GHMZBOCLSA-N 0 1 237.372 2.466 20 0 BEADMN Cc1noc(C)c1CCCNCc1cocn1 ZINC000758383591 585355400 /nfs/dbraw/zinc/35/54/00/585355400.db2.gz QWFNWWOIHWNNIF-UHFFFAOYSA-N 0 1 235.287 2.002 20 0 BEADMN C[C@H]1CC(=O)N(CN2CC[C@H](C)C(C)(C)C2)C1 ZINC000759000707 585363514 /nfs/dbraw/zinc/36/35/14/585363514.db2.gz REPKSQKDLZEOSC-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN CCc1cc(CNC(=O)CC(CC)CC)n[nH]1 ZINC000759209258 585365623 /nfs/dbraw/zinc/36/56/23/585365623.db2.gz DCIJQJADSZEWJO-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CN(CCF)[C@H](CCO)c1ccccc1 ZINC000759345648 585370234 /nfs/dbraw/zinc/37/02/34/585370234.db2.gz HMECNPZNTCUXCT-GFCCVEGCSA-N 0 1 211.280 2.011 20 0 BEADMN O[C@H](C[C@@H]1CCCN1CCF)c1ccco1 ZINC000759370101 585371682 /nfs/dbraw/zinc/37/16/82/585371682.db2.gz CPXVZBZROFADAR-WDEREUQCSA-N 0 1 227.279 2.137 20 0 BEADMN CN(Cc1cnc(Cl)s1)CC1(O)CCC1 ZINC000759876705 585382072 /nfs/dbraw/zinc/38/20/72/585382072.db2.gz NDVQBRZDTHOGNF-UHFFFAOYSA-N 0 1 246.763 2.143 20 0 BEADMN CCCC=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000760711105 585395788 /nfs/dbraw/zinc/39/57/88/585395788.db2.gz LBYBOIJOIBNKLJ-SNAWJCMRSA-N 0 1 230.271 2.253 20 0 BEADMN CC(C)CC1CCN(CC(=O)NC(C)C)CC1 ZINC000760932771 585401886 /nfs/dbraw/zinc/40/18/86/585401886.db2.gz KEHGMKJYHXBMQA-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)CC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000760942627 585402301 /nfs/dbraw/zinc/40/23/01/585402301.db2.gz WOFCIPVLABYTGM-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc[nH]1 ZINC000760961793 585402760 /nfs/dbraw/zinc/40/27/60/585402760.db2.gz RSRMEPDGFKRHCF-DGCLKSJQSA-N 0 1 249.358 2.066 20 0 BEADMN Cc1cc(C)cc(CN2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000761068153 585404809 /nfs/dbraw/zinc/40/48/09/585404809.db2.gz GQVJCYWDGHWIBN-AWEZNQCLSA-N 0 1 232.371 2.439 20 0 BEADMN Cc1cc(C)cc(CN2CC[N@H+](C)[C@H](C)C2)c1 ZINC000761068154 585405027 /nfs/dbraw/zinc/40/50/27/585405027.db2.gz GQVJCYWDGHWIBN-CQSZACIVSA-N 0 1 232.371 2.439 20 0 BEADMN C[C@H]1CN(Cc2cc(F)ccc2F)CCN1C ZINC000761081546 585407130 /nfs/dbraw/zinc/40/71/30/585407130.db2.gz XNOOQDCWEJLFPU-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]3C[C@H]32)s1 ZINC000761085823 585407505 /nfs/dbraw/zinc/40/75/05/585407505.db2.gz NKGDIVGZNVWHQL-WCBMZHEXSA-N 0 1 237.324 2.129 20 0 BEADMN Cc1cccc(NC(=O)[C@H](C)N2CC[C@H]3C[C@H]32)c1 ZINC000761094380 585408649 /nfs/dbraw/zinc/40/86/49/585408649.db2.gz PKWSTUZMYGIKTA-SGMGOOAPSA-N 0 1 244.338 2.416 20 0 BEADMN COCC1(N(C)C[C@@H]2CC2(Cl)Cl)CC1 ZINC000761102298 585409476 /nfs/dbraw/zinc/40/94/76/585409476.db2.gz QALDICPTSIDFQV-QMMMGPOBSA-N 0 1 238.158 2.291 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000761876961 585421861 /nfs/dbraw/zinc/42/18/61/585421861.db2.gz PYXNECAOKWIIDE-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000761876961 585421862 /nfs/dbraw/zinc/42/18/62/585421862.db2.gz PYXNECAOKWIIDE-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cc(=O)[nH]c(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000761876961 585421863 /nfs/dbraw/zinc/42/18/63/585421863.db2.gz PYXNECAOKWIIDE-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cc(OC[C@H]2CC3(CC3)C(=O)O2)cc(C)n1 ZINC000762208609 585429067 /nfs/dbraw/zinc/42/90/67/585429067.db2.gz JLDBPWWBZWDRNP-GFCCVEGCSA-N 0 1 247.294 2.173 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cccc(O)c1F ZINC000762319026 585430970 /nfs/dbraw/zinc/43/09/70/585430970.db2.gz DGMQAEOQRDFMCQ-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN OCC[C@H]1COCCN1CCCC1CCCC1 ZINC000762335812 585431158 /nfs/dbraw/zinc/43/11/58/585431158.db2.gz YVEJFXSBMLAOKK-AWEZNQCLSA-N 0 1 241.375 2.040 20 0 BEADMN CC(C)N(CN1C[C@@H](C2CC2)CC1=O)C1CC1 ZINC000762480747 585432708 /nfs/dbraw/zinc/43/27/08/585432708.db2.gz HUPKPJPVUZOGHQ-LBPRGKRZSA-N 0 1 236.359 2.075 20 0 BEADMN Cc1nc(COC(=O)c2cccc(C)c2C)n[nH]1 ZINC000762585815 585433997 /nfs/dbraw/zinc/43/39/97/585433997.db2.gz FMMOQPRYYPAKDF-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(O)cc1 ZINC000763424415 585448226 /nfs/dbraw/zinc/44/82/26/585448226.db2.gz SZRSNLSDLIFIIK-LLVKDONJSA-N 0 1 248.326 2.205 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CC3(CC3)C(=O)O2)o1 ZINC000763658128 585451543 /nfs/dbraw/zinc/45/15/43/585451543.db2.gz CIYWVHYMVQJDSM-GFCCVEGCSA-N 0 1 249.310 2.116 20 0 BEADMN CC=C(C=CC(=O)NCc1cc(C)[nH]n1)CC ZINC000765546642 585489378 /nfs/dbraw/zinc/48/93/78/585489378.db2.gz SQIOPBBDZJESHK-BJNIYONUSA-N 0 1 233.315 2.247 20 0 BEADMN C[C@@H]1CCCN1Cn1ccc(-c2nccs2)n1 ZINC000766093806 585497704 /nfs/dbraw/zinc/49/77/04/585497704.db2.gz JMFQRUXDCFCJSF-SNVBAGLBSA-N 0 1 248.355 2.448 20 0 BEADMN COc1ccc(CNC(=O)C(F)(F)F)c(C)c1 ZINC000766160313 585498530 /nfs/dbraw/zinc/49/85/30/585498530.db2.gz CPMUBZKFDWRACU-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN CC[C@H](C)OC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766173539 585498654 /nfs/dbraw/zinc/49/86/54/585498654.db2.gz MJBOKOZPGYUUSH-QMMMGPOBSA-N 0 1 246.266 2.331 20 0 BEADMN C[C@@H](NCCNc1ccccc1)c1cnccn1 ZINC000766516324 585503674 /nfs/dbraw/zinc/50/36/74/585503674.db2.gz VXJUYMGYAHFCJK-GFCCVEGCSA-N 0 1 242.326 2.239 20 0 BEADMN CC(C)=C(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766691900 585505719 /nfs/dbraw/zinc/50/57/19/585505719.db2.gz NMEBWWXWYJADBF-LLVKDONJSA-N 0 1 233.315 2.260 20 0 BEADMN CC[C@@H](C(=O)OCCCF)N(CC)CC ZINC000767349829 585516934 /nfs/dbraw/zinc/51/69/34/585516934.db2.gz PENQSPWWBHMQSF-JTQLQIEISA-N 0 1 219.300 2.010 20 0 BEADMN C[C@H](C(=O)OCCCF)N1CCCCCC1 ZINC000767348802 585517171 /nfs/dbraw/zinc/51/71/71/585517171.db2.gz IEFQFFRLFYQAFE-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN C[N@@H+](CCOC(C)(C)C)CCC(=O)C1CC1 ZINC000767417063 585519607 /nfs/dbraw/zinc/51/96/07/585519607.db2.gz GOYIMUYGSFZMEF-UHFFFAOYSA-N 0 1 227.348 2.103 20 0 BEADMN O=C(CCN1CCc2ccsc2C1)C1CC1 ZINC000767613610 585523296 /nfs/dbraw/zinc/52/32/96/585523296.db2.gz UNDYANLJGGQXLO-UHFFFAOYSA-N 0 1 235.352 2.475 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C=C2CCCC2)n[nH]1 ZINC000768376563 585537154 /nfs/dbraw/zinc/53/71/54/585537154.db2.gz JOPHKJPYZHAKJS-SNVBAGLBSA-N 0 1 247.342 2.266 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1ccc(O)c(F)c1 ZINC000768722576 585542531 /nfs/dbraw/zinc/54/25/31/585542531.db2.gz XQYMFEUWTGAZHU-MRVPVSSYSA-N 0 1 241.262 2.333 20 0 BEADMN CCC/C(C)=C/C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000768851156 585544520 /nfs/dbraw/zinc/54/45/20/585544520.db2.gz NWXXPOMJHZDIEI-UAIPSJAGSA-N 0 1 238.375 2.284 20 0 BEADMN CN(CCc1ccccc1F)Cc1cncnc1 ZINC000769030894 585547947 /nfs/dbraw/zinc/54/79/47/585547947.db2.gz WNZAKLBCNBXECP-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)NCc1cnc[nH]1 ZINC000859235988 589023239 /nfs/dbraw/zinc/02/32/39/589023239.db2.gz QPTQEUYZDKUOTL-SECBINFHSA-N 0 1 225.292 2.071 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](F)c1ccccc1 ZINC000769377982 585554962 /nfs/dbraw/zinc/55/49/62/585554962.db2.gz YOODMHGDRPEGGK-GFCCVEGCSA-N 0 1 247.273 2.045 20 0 BEADMN Cn1ccnc1[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000770025162 585569758 /nfs/dbraw/zinc/56/97/58/585569758.db2.gz FGBUONIYSRQSAQ-USEMIUTHSA-N 0 1 239.750 2.352 20 0 BEADMN C/C=C/C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770256204 585572140 /nfs/dbraw/zinc/57/21/40/585572140.db2.gz ADTVJUAJZQUJCU-ONEGZZNKSA-N 0 1 215.256 2.386 20 0 BEADMN Cc1ccncc1[C@H](C)NC(=O)C(F)(F)F ZINC000771400525 585593860 /nfs/dbraw/zinc/59/38/60/585593860.db2.gz YHKCRBXVAXNMBV-ZETCQYMHSA-N 0 1 232.205 2.130 20 0 BEADMN CCC(=CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C)CC ZINC000771402055 585593914 /nfs/dbraw/zinc/59/39/14/585593914.db2.gz FORWQCNGSVKYGV-RYUDHWBXSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H](N[C@H](CO)C1CC1)c1nc2ccccc2o1 ZINC000771818466 585601250 /nfs/dbraw/zinc/60/12/50/585601250.db2.gz JTGCTIVPRJKXSU-BXKDBHETSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000771948290 585605329 /nfs/dbraw/zinc/60/53/29/585605329.db2.gz KLCZHJAETNIQBQ-ZHACJKMWSA-N 0 1 238.375 2.189 20 0 BEADMN O=C(OCCN1CCCCC1)C1(F)CCCC1 ZINC000772792983 585624094 /nfs/dbraw/zinc/62/40/94/585624094.db2.gz CLVWJWOYBWXEIV-UHFFFAOYSA-N 0 1 243.322 2.298 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000772988247 585628921 /nfs/dbraw/zinc/62/89/21/585628921.db2.gz LRMISUZBLQBXII-VQHVLOKHSA-N 0 1 235.331 2.327 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000772988246 585629104 /nfs/dbraw/zinc/62/91/04/585629104.db2.gz LRMISUZBLQBXII-CLFYSBASSA-N 0 1 235.331 2.327 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000773240126 585634238 /nfs/dbraw/zinc/63/42/38/585634238.db2.gz INKOSEKDLARHOH-LUAWRHEFSA-N 0 1 238.375 2.189 20 0 BEADMN CSCCOC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000773521228 585638963 /nfs/dbraw/zinc/63/89/63/585638963.db2.gz FXSKGKHKRWCOCL-OUAUKWLOSA-N 0 1 245.388 2.154 20 0 BEADMN CCCN(C)CC(=O)N1CCc2cc(C)ccc21 ZINC000773737667 585643086 /nfs/dbraw/zinc/64/30/86/585643086.db2.gz FPUGBYLMQGRONS-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN CCc1cnccc1[C@H](C)NC(=O)C(F)(F)F ZINC000773772992 585643593 /nfs/dbraw/zinc/64/35/93/585643593.db2.gz ZIBPSKLJJFNCCS-ZETCQYMHSA-N 0 1 246.232 2.384 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CCC=CO2)C[C@@H]1F ZINC000775056414 585671233 /nfs/dbraw/zinc/67/12/33/585671233.db2.gz HWSOTHZQXVDZLI-UTUOFQBUSA-N 0 1 213.296 2.359 20 0 BEADMN CC(C)[C@@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000775058081 585671284 /nfs/dbraw/zinc/67/12/84/585671284.db2.gz SQXSKMZELWQSSD-OLZOCXBDSA-N 0 1 225.332 2.036 20 0 BEADMN O=C(NOC1CCCC1)[C@H]1CC1(Cl)Cl ZINC000775273690 585674593 /nfs/dbraw/zinc/67/45/93/585674593.db2.gz SDXMLUXADXNCKB-SSDOTTSWSA-N 0 1 238.114 2.171 20 0 BEADMN CCCCC[C@@H](CC)C(=O)N1CC(N(C)C)C1 ZINC000775804605 585685649 /nfs/dbraw/zinc/68/56/49/585685649.db2.gz WCWRLNZHDKHITQ-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN COc1ccc(CNCc2cnn(C)c2)c(C)c1 ZINC000776253035 585693976 /nfs/dbraw/zinc/69/39/76/585693976.db2.gz KXLRCSZKAQYBOF-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN c1cnn(-c2ccncc2NCc2ccoc2)c1 ZINC000776258608 585694327 /nfs/dbraw/zinc/69/43/27/585694327.db2.gz ZIGKDZSFHMZCOL-UHFFFAOYSA-N 0 1 240.266 2.472 20 0 BEADMN Cn1ccnc1[C@@H](NCCOC1CCC1)C1CC1 ZINC000776492040 585699480 /nfs/dbraw/zinc/69/94/80/585699480.db2.gz IIHJOXBAFXRDRG-ZDUSSCGKSA-N 0 1 249.358 2.030 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H]1C(C)C ZINC000776579211 585700895 /nfs/dbraw/zinc/70/08/95/585700895.db2.gz LQACPQNMPVXUDF-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)COC(=O)CN1CCCCCCC1 ZINC000776575578 585701012 /nfs/dbraw/zinc/70/10/12/585701012.db2.gz TVKINNJZAQFIMP-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CC(C)COC(=O)CN1CCCCC[C@H]1C ZINC000776583381 585701598 /nfs/dbraw/zinc/70/15/98/585701598.db2.gz FAUJCXYASGQLDZ-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H]1C[C@H](C)CN1CC(=O)OCC(C)C ZINC000776586965 585701764 /nfs/dbraw/zinc/70/17/64/585701764.db2.gz BXENDRMKFMYMPK-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN CCCN(Cc1ccc(F)cc1)Cn1cnnc1 ZINC000776756810 585703831 /nfs/dbraw/zinc/70/38/31/585703831.db2.gz BJZFEHMMKGLWLQ-UHFFFAOYSA-N 0 1 248.305 2.287 20 0 BEADMN CC(C)COC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777080541 585708236 /nfs/dbraw/zinc/70/82/36/585708236.db2.gz KNCORKKBVBTQJD-UHFFFAOYSA-N 0 1 236.315 2.030 20 0 BEADMN O=C(Cc1n[nH]c2c1CCCC2)OCCC1CC1 ZINC000777085358 585708345 /nfs/dbraw/zinc/70/83/45/585708345.db2.gz OUXVOFPLLWMKTI-UHFFFAOYSA-N 0 1 248.326 2.174 20 0 BEADMN CN(CC1OCCO1)[C@H]1CCCc2ccccc21 ZINC000777534984 585714306 /nfs/dbraw/zinc/71/43/06/585714306.db2.gz HTCVWJDXPOPHDX-AWEZNQCLSA-N 0 1 247.338 2.369 20 0 BEADMN CC[C@H]1c2ccccc2CCN1CC1OCCO1 ZINC000777584403 585716158 /nfs/dbraw/zinc/71/61/58/585716158.db2.gz PARJQCGVNYWKKH-AWEZNQCLSA-N 0 1 247.338 2.369 20 0 BEADMN CCC1CCC([N@@H+](C)CC2OCCO2)CC1 ZINC000777595388 585716267 /nfs/dbraw/zinc/71/62/67/585716267.db2.gz OVNOCLRILRNAOQ-UHFFFAOYSA-N 0 1 227.348 2.260 20 0 BEADMN CC(C)(C)C1=CCN(CC2OCCO2)CC1 ZINC000777714227 585718778 /nfs/dbraw/zinc/71/87/78/585718778.db2.gz RKBYKJNGYDHQHQ-UHFFFAOYSA-N 0 1 225.332 2.038 20 0 BEADMN CCc1nc(COC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000778403847 585733925 /nfs/dbraw/zinc/73/39/25/585733925.db2.gz ZGDYDGNZHWGUEA-SNVBAGLBSA-N 0 1 249.314 2.157 20 0 BEADMN CC[C@@H](C(=O)O[C@H](C)CCOC)N(CC)CC ZINC000778690946 585739386 /nfs/dbraw/zinc/73/93/86/585739386.db2.gz WJRZUOFCSZJCSZ-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H](C(=O)O[C@H]1C=CCC1)N(CC)CC ZINC000778712889 585739651 /nfs/dbraw/zinc/73/96/51/585739651.db2.gz LORUJAHGDCAKKI-NWDGAFQWSA-N 0 1 225.332 2.369 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C(C)C)CC1 ZINC000780883250 585785894 /nfs/dbraw/zinc/78/58/94/585785894.db2.gz RWNGKIDDPDHPJA-OUKQBFOZSA-N 0 1 238.375 2.285 20 0 BEADMN CCCN1CCN(C(=O)/C(C)=C(\C)CC)CC1 ZINC000780928944 585786433 /nfs/dbraw/zinc/78/64/33/585786433.db2.gz LCAWXQYQVICUKM-OUKQBFOZSA-N 0 1 238.375 2.287 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000780957148 585787080 /nfs/dbraw/zinc/78/70/80/585787080.db2.gz WJZBOYHRBXARKS-UMAGAQSHSA-N 0 1 238.375 2.191 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000780951253 585787165 /nfs/dbraw/zinc/78/71/65/585787165.db2.gz RDFAZMKFMBNJFT-ZGDCTCODSA-N 0 1 238.375 2.332 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000780986523 585787857 /nfs/dbraw/zinc/78/78/57/585787857.db2.gz NIZRIIMNMLMHIA-USKTWTLRSA-N 0 1 247.342 2.130 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000781012997 585788539 /nfs/dbraw/zinc/78/85/39/585788539.db2.gz ILEFPEFUXVMULR-HRFIDBLHSA-N 0 1 238.375 2.284 20 0 BEADMN CC(C)(C)CCCOC(=O)CCc1nc[nH]n1 ZINC000781193211 585792780 /nfs/dbraw/zinc/79/27/80/585792780.db2.gz YGPINELZEJZSJJ-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN Cc1nc(COC(=O)C2(C)CCCCC2)n[nH]1 ZINC000781514766 585798012 /nfs/dbraw/zinc/79/80/12/585798012.db2.gz UHWXHIGMKCUGLL-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000781609637 585800387 /nfs/dbraw/zinc/80/03/87/585800387.db2.gz ZCSFKUOJIQCENE-OUAUKWLOSA-N 0 1 247.342 2.134 20 0 BEADMN COC(=O)[C@]1(F)CCN(CCCC(C)(C)C)C1 ZINC000781897909 585804982 /nfs/dbraw/zinc/80/49/82/585804982.db2.gz FBZJIJSQXNNNOO-ZDUSSCGKSA-N 0 1 245.338 2.400 20 0 BEADMN CC[C@@H](NC[C@H]1CCC=CO1)c1ccn(C)n1 ZINC000783308467 585833612 /nfs/dbraw/zinc/83/36/12/585833612.db2.gz DYOBPUNGGRDKPL-VXGBXAGGSA-N 0 1 235.331 2.154 20 0 BEADMN COC(=O)[C@@]1(F)CCN(CCCC(C)C)C1 ZINC000783572068 585837150 /nfs/dbraw/zinc/83/71/50/585837150.db2.gz XYLKTPJHHNRIMO-GFCCVEGCSA-N 0 1 231.311 2.010 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)OCC(C)C)CC1 ZINC000783650490 585839282 /nfs/dbraw/zinc/83/92/82/585839282.db2.gz PQGMXCQYCZXMGQ-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN COC[C@@H](C)CNc1ccc(C)nc1N(C)C ZINC000783648942 585839354 /nfs/dbraw/zinc/83/93/54/585839354.db2.gz CDMHQPMWXBFTOM-JTQLQIEISA-N 0 1 237.347 2.150 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cn2ccsc2=O)C1 ZINC000784036133 585847700 /nfs/dbraw/zinc/84/77/00/585847700.db2.gz SEHRZGJPCVRWEV-JTQLQIEISA-N 0 1 240.372 2.235 20 0 BEADMN Cc1nonc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000784350822 585856827 /nfs/dbraw/zinc/85/68/27/585856827.db2.gz SAEZHMYMJPMIMZ-VIFPVBQESA-N 0 1 223.320 2.246 20 0 BEADMN CC(C)[C@@H](F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000784365700 585857327 /nfs/dbraw/zinc/85/73/27/585857327.db2.gz NCUPGDSEZVWVPA-LLVKDONJSA-N 0 1 235.262 2.496 20 0 BEADMN CC(C)[C@H](F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000784464107 585861123 /nfs/dbraw/zinc/86/11/23/585861123.db2.gz IMVBCROPVJAVJJ-NSHDSACASA-N 0 1 239.294 2.080 20 0 BEADMN CC(C)[C@H](F)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000784501888 585861582 /nfs/dbraw/zinc/86/15/82/585861582.db2.gz CCSHOVHAXFMGAI-QMMMGPOBSA-N 0 1 240.282 2.005 20 0 BEADMN CC(C)[C@H](F)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000784501888 585861583 /nfs/dbraw/zinc/86/15/83/585861583.db2.gz CCSHOVHAXFMGAI-QMMMGPOBSA-N 0 1 240.282 2.005 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OC/C=C\Cl ZINC000785736404 585879218 /nfs/dbraw/zinc/87/92/18/585879218.db2.gz QIYKGVONORRYTH-CEVFKFHSSA-N 0 1 231.723 2.155 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCC1CCC1 ZINC000785740756 585879508 /nfs/dbraw/zinc/87/95/08/585879508.db2.gz KJPHEELXQXIKTL-PHIMTYICSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](C(=O)OCC(C)(C)F)N(CC)CC ZINC000785922716 585883588 /nfs/dbraw/zinc/88/35/88/585883588.db2.gz BIJXRNOSDSUUKV-SNVBAGLBSA-N 0 1 233.327 2.398 20 0 BEADMN C[C@@H](OC(=O)c1[nH]nc2c1CCCC2)C(F)F ZINC000786520526 585894078 /nfs/dbraw/zinc/89/40/78/585894078.db2.gz SLBIIKZZGDGAMU-ZCFIWIBFSA-N 0 1 244.241 2.099 20 0 BEADMN Cc1cc(C(=O)Nc2c[nH]nn2)ccc1Cl ZINC000788165087 585918528 /nfs/dbraw/zinc/91/85/28/585918528.db2.gz ONQNRSPMCIXAFU-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000788703187 585929377 /nfs/dbraw/zinc/92/93/77/585929377.db2.gz DDZDPIZFZOZUPW-WLRTZDKTSA-N 0 1 238.375 2.143 20 0 BEADMN O=C(NOC1CCCCC1)c1cn[nH]c1C1CC1 ZINC000789851124 585951563 /nfs/dbraw/zinc/95/15/63/585951563.db2.gz KHLIBBFFSBYYPQ-UHFFFAOYSA-N 0 1 249.314 2.281 20 0 BEADMN CC=C(CC)C(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000789849697 585951609 /nfs/dbraw/zinc/95/16/09/585951609.db2.gz UPRBLIPZQBRZQE-LLGDCAAFSA-N 0 1 221.304 2.333 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cn[nH]c1C1CC1 ZINC000789904739 585952931 /nfs/dbraw/zinc/95/29/31/585952931.db2.gz MEUCUFQDLZOQEI-QMMMGPOBSA-N 0 1 237.303 2.089 20 0 BEADMN C[C@H](CC(=O)Nc1c[nH]nn1)c1ccccc1F ZINC000789926667 585953235 /nfs/dbraw/zinc/95/32/35/585953235.db2.gz UZIGOTXTIWWDSC-MRVPVSSYSA-N 0 1 248.261 2.076 20 0 BEADMN Cc1cc(C(=O)Nc2c[nH]nn2)c(C)n1C(C)C ZINC000789929270 585954262 /nfs/dbraw/zinc/95/42/62/585954262.db2.gz VRNIZBMTANJFOD-UHFFFAOYSA-N 0 1 247.302 2.056 20 0 BEADMN CC(C)CC1(C(=O)Nc2c[nH]nn2)CCCC1 ZINC000790063871 585957192 /nfs/dbraw/zinc/95/71/92/585957192.db2.gz QNFVSMGZLZVLBB-UHFFFAOYSA-N 0 1 236.319 2.350 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCC(=O)C2CC2)CCO1 ZINC000790430085 585964648 /nfs/dbraw/zinc/96/46/48/585964648.db2.gz APJAIUAQQXHMDP-ZDUSSCGKSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1ccc2oc(C(=O)Nc3c[nH]nn3)cc2c1 ZINC000791148445 585974491 /nfs/dbraw/zinc/97/44/91/585974491.db2.gz YZWZGLKWSAFPRJ-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COC/C=C/C(=O)Nc1cccc(Cl)c1O ZINC000791391451 585980201 /nfs/dbraw/zinc/98/02/01/585980201.db2.gz LRDUNFSTTIKHAI-ZZXKWVIFSA-N 0 1 241.674 2.187 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@@H]2C)nc1 ZINC000791565875 585984046 /nfs/dbraw/zinc/98/40/46/585984046.db2.gz KHXIVFAMOXOMNL-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc(F)cc1F ZINC000791575497 585984964 /nfs/dbraw/zinc/98/49/64/585984964.db2.gz WQPUWBIWYCEOTL-KKFJDGPESA-N 0 1 241.281 2.481 20 0 BEADMN FC1(CN2CCC(c3cn[nH]c3)CC2)CC1 ZINC000792794358 586005414 /nfs/dbraw/zinc/00/54/14/586005414.db2.gz ZTDHIHAMYGWZJC-UHFFFAOYSA-N 0 1 223.295 2.091 20 0 BEADMN FC1(CNCc2cccc3c2OCCO3)CC1 ZINC000792886986 586006413 /nfs/dbraw/zinc/00/64/13/586006413.db2.gz MZZXEIPXTIZJSG-UHFFFAOYSA-N 0 1 237.274 2.050 20 0 BEADMN CC[C@@H]1CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000793811747 586027021 /nfs/dbraw/zinc/02/70/21/586027021.db2.gz VJQWPQLKEXLXKY-SNVBAGLBSA-N 0 1 224.348 2.075 20 0 BEADMN CC[C@@H]1CCN1Cn1nccc1-c1cccnc1 ZINC000793820594 586027379 /nfs/dbraw/zinc/02/73/79/586027379.db2.gz MEEIWKFAQKGQPM-CYBMUJFWSA-N 0 1 242.326 2.387 20 0 BEADMN C/C=C/C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000794625435 586045983 /nfs/dbraw/zinc/04/59/83/586045983.db2.gz XIOSAVMTTAGKII-HWKANZROSA-N 0 1 233.267 2.500 20 0 BEADMN CCN(CC1CCC1)Cn1cc[nH]c1=S ZINC000794689162 586047227 /nfs/dbraw/zinc/04/72/27/586047227.db2.gz YSSPTWNQPOGCEW-UHFFFAOYSA-N 0 1 225.361 2.251 20 0 BEADMN Cc1cnc(CN2CCC(C3CC3)CC2)cn1 ZINC000794894180 586053881 /nfs/dbraw/zinc/05/38/81/586053881.db2.gz UYNBGOSYBFCLPK-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN CN(CC1CC(C)(C)C1)[C@H]1CC(C)(C)OC1=O ZINC000859314531 589029104 /nfs/dbraw/zinc/02/91/04/589029104.db2.gz VWZXDWDVWVHLDK-NSHDSACASA-N 0 1 239.359 2.449 20 0 BEADMN CCCCC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795232290 586073089 /nfs/dbraw/zinc/07/30/89/586073089.db2.gz HNEANVWSFQUTDJ-UHFFFAOYSA-N 0 1 225.292 2.162 20 0 BEADMN CCCCC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795232290 586073090 /nfs/dbraw/zinc/07/30/90/586073090.db2.gz HNEANVWSFQUTDJ-UHFFFAOYSA-N 0 1 225.292 2.162 20 0 BEADMN CC(C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795231530 586073334 /nfs/dbraw/zinc/07/33/34/586073334.db2.gz FFEKNZOCFNMXKF-UHFFFAOYSA-N 0 1 225.292 2.017 20 0 BEADMN CC(C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795231530 586073336 /nfs/dbraw/zinc/07/33/36/586073336.db2.gz FFEKNZOCFNMXKF-UHFFFAOYSA-N 0 1 225.292 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CC(C)(C)C)n1 ZINC000795249740 586073712 /nfs/dbraw/zinc/07/37/12/586073712.db2.gz JHHOXNYKFCDWFB-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CC(C)c1nc(COC(=O)CC(C)(C)C)n[nH]1 ZINC000795249740 586073715 /nfs/dbraw/zinc/07/37/15/586073715.db2.gz JHHOXNYKFCDWFB-UHFFFAOYSA-N 0 1 239.319 2.408 20 0 BEADMN CC/C=C(\C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795269015 586074304 /nfs/dbraw/zinc/07/43/04/586074304.db2.gz MPDZPMPWBZZPFP-RMKNXTFCSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C=C(\C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795269015 586074306 /nfs/dbraw/zinc/07/43/06/586074306.db2.gz MPDZPMPWBZZPFP-RMKNXTFCSA-N 0 1 237.303 2.328 20 0 BEADMN C/C(=C\C(=O)OCc1nc(C(C)C)n[nH]1)C1CC1 ZINC000795331173 586074938 /nfs/dbraw/zinc/07/49/38/586074938.db2.gz CFQBOHNMEGOBCO-RMKNXTFCSA-N 0 1 249.314 2.328 20 0 BEADMN C/C(=C\C(=O)OCc1n[nH]c(C(C)C)n1)C1CC1 ZINC000795331173 586074939 /nfs/dbraw/zinc/07/49/39/586074939.db2.gz CFQBOHNMEGOBCO-RMKNXTFCSA-N 0 1 249.314 2.328 20 0 BEADMN ClC(Cl)=CCN1CCc2nc[nH]c2C1 ZINC000859306499 589029437 /nfs/dbraw/zinc/02/94/37/589029437.db2.gz XOTANHPGLWJEHY-UHFFFAOYSA-N 0 1 232.114 2.087 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2CC23CCC3)n1 ZINC000795458598 586080118 /nfs/dbraw/zinc/08/01/18/586080118.db2.gz MFYDOJHBCODJMZ-SECBINFHSA-N 0 1 249.314 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC000795458598 586080120 /nfs/dbraw/zinc/08/01/20/586080120.db2.gz MFYDOJHBCODJMZ-SECBINFHSA-N 0 1 249.314 2.162 20 0 BEADMN CC=C(C=CC(=O)OCc1n[nH]c(C)n1)CC ZINC000795476402 586080967 /nfs/dbraw/zinc/08/09/67/586080967.db2.gz NZNIFRCBDVMFAF-PKOYOFPESA-N 0 1 235.287 2.069 20 0 BEADMN O=C1CC2(CCC2)N1CN1CCC2(CCC2)CC1 ZINC000795713761 586091354 /nfs/dbraw/zinc/09/13/54/586091354.db2.gz LPCZBSHOZCPEDQ-UHFFFAOYSA-N 0 1 248.370 2.365 20 0 BEADMN CCN1CCN(C/C(Cl)=C/Cl)[C@H](C)C1 ZINC000796316256 586100436 /nfs/dbraw/zinc/10/04/36/586100436.db2.gz NIEALUKDKWLAIV-WPVMNKCKSA-N 0 1 237.174 2.331 20 0 BEADMN c1ncc(CN2CC[C@@H]2c2ccccc2)[nH]1 ZINC000796442846 586103487 /nfs/dbraw/zinc/10/34/87/586103487.db2.gz PUPPBIDEZYMSEI-CYBMUJFWSA-N 0 1 213.284 2.357 20 0 BEADMN FC1(F)CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000796542140 586105827 /nfs/dbraw/zinc/10/58/27/586105827.db2.gz AZOIMRZUZNVBHW-LLVKDONJSA-N 0 1 249.301 2.261 20 0 BEADMN Cc1cc(C)n(CCN2CCC(F)(F)CC2)n1 ZINC000796540905 586106406 /nfs/dbraw/zinc/10/64/06/586106406.db2.gz ZMKSLNAYDVYKEB-UHFFFAOYSA-N 0 1 243.301 2.231 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N(C)CC[S@@](C)=O ZINC000798192547 586138892 /nfs/dbraw/zinc/13/88/92/586138892.db2.gz DEQGEBALRQZQOX-MGPLVRAMSA-N 0 1 243.347 2.197 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N(C)CC[S@](C)=O ZINC000798192550 586139122 /nfs/dbraw/zinc/13/91/22/586139122.db2.gz DEQGEBALRQZQOX-QFYYESIMSA-N 0 1 243.347 2.197 20 0 BEADMN CC/C=C/CCOC(=O)[C@H](C(C)C)N(C)C ZINC000798817760 586150500 /nfs/dbraw/zinc/15/05/00/586150500.db2.gz AEKGSHPFZLVKEM-GUOLPTJISA-N 0 1 227.348 2.472 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1CC[C@H](C)C1)N(C)C ZINC000798850254 586151433 /nfs/dbraw/zinc/15/14/33/586151433.db2.gz MESHUIVNRLZWIL-TUAOUCFPSA-N 0 1 227.348 2.304 20 0 BEADMN c1cc(CN2CC(C3CCOCC3)C2)co1 ZINC000800530999 586224489 /nfs/dbraw/zinc/22/44/89/586224489.db2.gz ZZURALGVDJCDOI-UHFFFAOYSA-N 0 1 221.300 2.138 20 0 BEADMN C[C@H]1COCCN1CCSC(C)(C)C ZINC000801916076 586276464 /nfs/dbraw/zinc/27/64/64/586276464.db2.gz ZJOITLJVGXOZJJ-JTQLQIEISA-N 0 1 217.378 2.239 20 0 BEADMN C[C@@H]1COCCN1CCSC(C)(C)C ZINC000801916078 586276868 /nfs/dbraw/zinc/27/68/68/586276868.db2.gz ZJOITLJVGXOZJJ-SNVBAGLBSA-N 0 1 217.378 2.239 20 0 BEADMN CC(C)CN(CN1C[C@H](C)[C@H](C)C1=O)C1CC1 ZINC000839958528 586296161 /nfs/dbraw/zinc/29/61/61/586296161.db2.gz KOIYHLCZOVVWHN-RYUDHWBXSA-N 0 1 238.375 2.179 20 0 BEADMN CC(C)N(CN1C[C@@H]2CCC[C@H]2C1=O)C1CC1 ZINC000839961622 586301923 /nfs/dbraw/zinc/30/19/23/586301923.db2.gz YAIKXOPCCCILMI-WCQYABFASA-N 0 1 236.359 2.075 20 0 BEADMN CCS(=O)(=O)CCN(C)C[C@@H](C)C(C)(C)C ZINC000802640252 586307139 /nfs/dbraw/zinc/30/71/39/586307139.db2.gz KLFZNZVOUKZXPW-LLVKDONJSA-N 0 1 249.420 2.035 20 0 BEADMN CCCN(C)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000839978436 586312928 /nfs/dbraw/zinc/31/29/28/586312928.db2.gz JWMBIVOGOXWWTK-UHFFFAOYSA-N 0 1 248.305 2.384 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2cc(C)oc2C)n[nH]1 ZINC000839990390 586332952 /nfs/dbraw/zinc/33/29/52/586332952.db2.gz GECJFQDQNXIKBJ-MRVPVSSYSA-N 0 1 249.270 2.241 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839994077 586336151 /nfs/dbraw/zinc/33/61/51/586336151.db2.gz SORDBEJVCXECPQ-RWMBFGLXSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839994078 586336485 /nfs/dbraw/zinc/33/64/85/586336485.db2.gz SORDBEJVCXECPQ-XQQFMLRXSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C=Cc2ccco2)n[nH]1 ZINC000840010875 586366364 /nfs/dbraw/zinc/36/63/64/586366364.db2.gz IEHNIVFDAAXPFE-SLGIHZDVSA-N 0 1 247.254 2.024 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C=Cc2ccco2)n[nH]1 ZINC000840010872 586366915 /nfs/dbraw/zinc/36/69/15/586366915.db2.gz IEHNIVFDAAXPFE-GJIOHYHPSA-N 0 1 247.254 2.024 20 0 BEADMN CC(C)C1CCN(CN2CC[C@H](C)C2=O)CC1 ZINC000840012010 586367239 /nfs/dbraw/zinc/36/72/39/586367239.db2.gz NQVWIFPZBDOLSP-LBPRGKRZSA-N 0 1 238.375 2.180 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(CC)C[C@@H]1C ZINC000804380265 586393548 /nfs/dbraw/zinc/39/35/48/586393548.db2.gz SVMAFAAGJVGNMV-UKVQZPPCSA-N 0 1 238.375 2.285 20 0 BEADMN CCC(=CC(=O)N1CCN(CC)C[C@@H]1C)CC ZINC000804380624 586393662 /nfs/dbraw/zinc/39/36/62/586393662.db2.gz WDQYGUZWXWDYCN-LBPRGKRZSA-N 0 1 238.375 2.285 20 0 BEADMN CC1(C)CCN(CN2CCCC3(CC3)C2)C1=O ZINC000840051862 586400276 /nfs/dbraw/zinc/40/02/76/586400276.db2.gz DFANUJHMBAWJEU-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN Cc1nc(C)c(CN(C2CC2)C2CC2)o1 ZINC000859627258 589050247 /nfs/dbraw/zinc/05/02/47/589050247.db2.gz KXTIOLCUVBHPIM-UHFFFAOYSA-N 0 1 206.289 2.418 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@@H]3CCC[C@@H]3C2=O)C1 ZINC000840068145 586415926 /nfs/dbraw/zinc/41/59/26/586415926.db2.gz XPUOWIOWUTVPHF-UBHSHLNASA-N 0 1 248.370 2.100 20 0 BEADMN CC/C=C(/C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840077334 586419151 /nfs/dbraw/zinc/41/91/51/586419151.db2.gz HKRLHBGIMPLNLY-NFXKFNAJSA-N 0 1 223.276 2.074 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000808134501 586464395 /nfs/dbraw/zinc/46/43/95/586464395.db2.gz WDCWXNJQERUZBI-OCCSQVGLSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@@H](N(C)CN1C(=O)CCC1(C)C)C1(C)CC1 ZINC000808169095 586466461 /nfs/dbraw/zinc/46/64/61/586466461.db2.gz VRYPDMIASOLBGP-LLVKDONJSA-N 0 1 238.375 2.465 20 0 BEADMN CC1=C(C)CN(CN2CC(C)(C)CC2=O)CC1 ZINC000808182985 586467337 /nfs/dbraw/zinc/46/73/37/586467337.db2.gz DMQZRWMXKZJXCI-UHFFFAOYSA-N 0 1 236.359 2.245 20 0 BEADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cn(C)cn1 ZINC000808389452 586470180 /nfs/dbraw/zinc/47/01/80/586470180.db2.gz RPTAXXBUAADLSE-ABAIWWIYSA-N 0 1 241.338 2.443 20 0 BEADMN CC(C)=CCOC(=O)C(C)(C)N1CCCC1 ZINC000808550628 586479471 /nfs/dbraw/zinc/47/94/71/586479471.db2.gz QBCRSRRGFMZDDT-UHFFFAOYSA-N 0 1 225.332 2.370 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCC(=O)C(C)C ZINC000808709184 586483301 /nfs/dbraw/zinc/48/33/01/586483301.db2.gz QJMVMDDFFPSYCA-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@H](O)C(C)(C)C ZINC000808708190 586483339 /nfs/dbraw/zinc/48/33/39/586483339.db2.gz CXALYXMQMPUFGM-LBPRGKRZSA-N 0 1 240.347 2.130 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)OC(C)(C)C1 ZINC000808713900 586483650 /nfs/dbraw/zinc/48/36/50/586483650.db2.gz SZWVEEPDQMFVII-LLVKDONJSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@@H]1C[N@@H+](CCC(=O)C(C)C)C[C@@H](C)O1 ZINC000808725919 586484351 /nfs/dbraw/zinc/48/43/51/586484351.db2.gz KLANVKUWUUXYPR-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)C[C@@H](C)O1 ZINC000808725919 586484353 /nfs/dbraw/zinc/48/43/53/586484353.db2.gz KLANVKUWUUXYPR-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000808734329 586485927 /nfs/dbraw/zinc/48/59/27/586485927.db2.gz RZJRRNSKRQNKJF-LLVKDONJSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1CCOC(C)(C)[C@H]1C ZINC000808734329 586485928 /nfs/dbraw/zinc/48/59/28/586485928.db2.gz RZJRRNSKRQNKJF-LLVKDONJSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CC[N@@H+](C)CCc1nccs1 ZINC000808739968 586485944 /nfs/dbraw/zinc/48/59/44/586485944.db2.gz HLYXDONPSVKINJ-UHFFFAOYSA-N 0 1 240.372 2.233 20 0 BEADMN CC(C)C(=O)CCN(C)CCc1nccs1 ZINC000808739968 586485945 /nfs/dbraw/zinc/48/59/45/586485945.db2.gz HLYXDONPSVKINJ-UHFFFAOYSA-N 0 1 240.372 2.233 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cn1cc[nH]c1=S ZINC000840181929 586508421 /nfs/dbraw/zinc/50/84/21/586508421.db2.gz BERYCEWSEPRCIL-VIFPVBQESA-N 0 1 225.361 2.250 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cnc([C@@H](C)O)s1 ZINC000809601963 586509108 /nfs/dbraw/zinc/50/91/08/586509108.db2.gz GRJXPNDWQTUJJW-MWLCHTKSSA-N 0 1 240.372 2.427 20 0 BEADMN Cc1nc(F)ccc1CN(C)[C@@H]1CCCOC1 ZINC000809693709 586513451 /nfs/dbraw/zinc/51/34/51/586513451.db2.gz YZJLZIBFRVKTMG-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1nc(F)ccc1CN(C)[C@H]1CCCOC1 ZINC000809693710 586513630 /nfs/dbraw/zinc/51/36/30/586513630.db2.gz YZJLZIBFRVKTMG-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1nonc1CNC[C@@H]1C[C@@H]1c1ccccc1 ZINC000809743715 586516044 /nfs/dbraw/zinc/51/60/44/586516044.db2.gz BBJHRNPTVBOUPY-QWHCGFSZSA-N 0 1 243.310 2.271 20 0 BEADMN Cc1nonc1CNC[C@H](C)c1ccc(F)cc1 ZINC000809745089 586516606 /nfs/dbraw/zinc/51/66/06/586516606.db2.gz MBSPAYWKSRHKMQ-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN Cc1nonc1CNC[C@H]1C(C)=CCC[C@@H]1C ZINC000809744719 586516825 /nfs/dbraw/zinc/51/68/25/586516825.db2.gz ZJRSCYXOLXEUNB-JQWIXIFHSA-N 0 1 235.331 2.460 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1cnn(C)n1 ZINC000809954859 586526295 /nfs/dbraw/zinc/52/62/95/586526295.db2.gz IIWNWGRHFPWRLJ-CYBMUJFWSA-N 0 1 236.363 2.216 20 0 BEADMN C/C=C\COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810545638 586539945 /nfs/dbraw/zinc/53/99/45/586539945.db2.gz JGSVCAIINVIPQB-SZZPACECSA-N 0 1 243.322 2.318 20 0 BEADMN CCC(CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840208850 586546368 /nfs/dbraw/zinc/54/63/68/586546368.db2.gz MHIXAKDKRHOYDQ-ZETCQYMHSA-N 0 1 225.292 2.154 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000840230844 586559126 /nfs/dbraw/zinc/55/91/26/586559126.db2.gz LTTQEYWNUKXTJL-SFYZADRCSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)C(=O)OC2 ZINC000811507958 586560272 /nfs/dbraw/zinc/56/02/72/586560272.db2.gz UBNAYXWFNRXBPW-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CC1(C)C(=O)N(CN2C3CCC2CC3)[C@@H]1C1CC1 ZINC000811728690 586566279 /nfs/dbraw/zinc/56/62/79/586566279.db2.gz GYABGBKNNVAFLX-WXRRBKDZSA-N 0 1 248.370 2.218 20 0 BEADMN CN(CN1C(=O)C(C)(C)[C@@H]1C1CC1)C1CCC1 ZINC000811750709 586566282 /nfs/dbraw/zinc/56/62/82/586566282.db2.gz CVTBDVVPCIYORN-LBPRGKRZSA-N 0 1 236.359 2.075 20 0 BEADMN CC1(C2CC2)CCN(CN2CCCC2=O)CC1 ZINC000811785072 586566686 /nfs/dbraw/zinc/56/66/86/586566686.db2.gz UNYRZDVLXOUABM-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CCC1=C(c2nc([C@H]3CCCN3)no2)CCCO1 ZINC000842637382 586570201 /nfs/dbraw/zinc/57/02/01/586570201.db2.gz MDUZYDZTFCDQCJ-SNVBAGLBSA-N 0 1 249.314 2.426 20 0 BEADMN CC(C)=C(C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840264208 586583268 /nfs/dbraw/zinc/58/32/68/586583268.db2.gz FNUVRWJAAKXBAC-QMMMGPOBSA-N 0 1 223.276 2.074 20 0 BEADMN O=C(NOC1CCC1)[C@H]1CCOc2ccccc21 ZINC000812791656 586585307 /nfs/dbraw/zinc/58/53/07/586585307.db2.gz ZFQYRLYEGPMBLO-LBPRGKRZSA-N 0 1 247.294 2.153 20 0 BEADMN C[C@H](NC[C@H]1CCCO1)c1cn2c(n1)CCCC2 ZINC000813322490 586600008 /nfs/dbraw/zinc/60/00/08/586600008.db2.gz CXAGTKIGNUGRSY-NWDGAFQWSA-N 0 1 249.358 2.049 20 0 BEADMN C[C@@H](NC[C@H]1CCCO1)c1cn2c(n1)CCCC2 ZINC000813322492 586600021 /nfs/dbraw/zinc/60/00/21/586600021.db2.gz CXAGTKIGNUGRSY-VXGBXAGGSA-N 0 1 249.358 2.049 20 0 BEADMN CCC(=CC(=O)O[C@H](C)c1n[nH]c(C)n1)CC ZINC000840290521 586602892 /nfs/dbraw/zinc/60/28/92/586602892.db2.gz FIQCPASYRGYLIL-MRVPVSSYSA-N 0 1 237.303 2.464 20 0 BEADMN CCC/C=C/COC(=O)[C@H](C(C)C)N(C)C ZINC000813907891 586609199 /nfs/dbraw/zinc/60/91/99/586609199.db2.gz UBTVGZWLDRPDKC-BCPZQOPPSA-N 0 1 227.348 2.472 20 0 BEADMN C[N@H+]1C[C@H]2CCN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC000814145598 586614640 /nfs/dbraw/zinc/61/46/40/586614640.db2.gz OGFJPQGDZWPYDQ-ZIAGYGMSSA-N 0 1 248.370 2.039 20 0 BEADMN C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C=C2CCCCC2)C1 ZINC000814145595 586614815 /nfs/dbraw/zinc/61/48/15/586614815.db2.gz OGFJPQGDZWPYDQ-KBPBESRZSA-N 0 1 248.370 2.039 20 0 BEADMN CCC[C@H](C)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000814179429 586615852 /nfs/dbraw/zinc/61/58/52/586615852.db2.gz SZNLGWIVYYQZKM-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)/C=C\C2CC2)[nH]1 ZINC000814457025 586622142 /nfs/dbraw/zinc/62/21/42/586622142.db2.gz SEIJHLQLXQHWDI-SREVYHEPSA-N 0 1 249.314 2.112 20 0 BEADMN CC(C)(C)c1nc(COC(=O)/C=C\C2CC2)n[nH]1 ZINC000814457025 586622143 /nfs/dbraw/zinc/62/21/43/586622143.db2.gz SEIJHLQLXQHWDI-SREVYHEPSA-N 0 1 249.314 2.112 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CCNCc1cnn(C)n1 ZINC000815126495 586667949 /nfs/dbraw/zinc/66/79/49/586667949.db2.gz MTRPKMVBPGMWJL-VXGBXAGGSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@@H](CCNCc1cnn(C)n1)CC(C)(C)C ZINC000815136762 586669282 /nfs/dbraw/zinc/66/92/82/586669282.db2.gz NDHXXROMPBKRLY-NSHDSACASA-N 0 1 238.379 2.367 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000815163390 586671389 /nfs/dbraw/zinc/67/13/89/586671389.db2.gz QHVVPBRBYNZBRF-KKFJDGPESA-N 0 1 241.281 2.338 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H]1C ZINC000815163590 586671533 /nfs/dbraw/zinc/67/15/33/586671533.db2.gz PVWQTABIASIXNN-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)n1nccc1CN1C[C@H](C)[C@@H]1C ZINC000815162043 586671861 /nfs/dbraw/zinc/67/18/61/586671861.db2.gz ATVQDTUYFQUKJU-QWRGUYRKSA-N 0 1 207.321 2.304 20 0 BEADMN CC(C)CONC(=O)[C@@H]1CCc2cccc(O)c21 ZINC000815859679 586694991 /nfs/dbraw/zinc/69/49/91/586694991.db2.gz JSVZYSCLLHORPD-LLVKDONJSA-N 0 1 249.310 2.126 20 0 BEADMN CO[C@@H]1CCCC[C@H]1C(=O)NOC1CCCC1 ZINC000815951267 586699556 /nfs/dbraw/zinc/69/95/56/586699556.db2.gz YZFUIIKEQUQCCX-VXGBXAGGSA-N 0 1 241.331 2.182 20 0 BEADMN CC1(C)CCC(CC(=O)Nc2c[nH]nn2)CC1 ZINC000816318839 586717748 /nfs/dbraw/zinc/71/77/48/586717748.db2.gz FHDQNUHJHYTOLF-UHFFFAOYSA-N 0 1 236.319 2.350 20 0 BEADMN Cn1ncc(CN2CCCC2(C)C)c1Cl ZINC000816499309 586736920 /nfs/dbraw/zinc/73/69/20/586736920.db2.gz LDBMVWSNYYQCKQ-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000859809756 589062394 /nfs/dbraw/zinc/06/23/94/589062394.db2.gz XXJCWQKIPIMAJT-LBPRGKRZSA-N 0 1 245.278 2.339 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cnn(C)c2Cl)C1 ZINC000816515190 586738013 /nfs/dbraw/zinc/73/80/13/586738013.db2.gz RRNZCLRSQYCTGN-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@H]1CN(Cc2cnn(C)c2Cl)C[C@@H]1C ZINC000816513669 586738280 /nfs/dbraw/zinc/73/82/80/586738280.db2.gz YGCMRIBRRHVFEO-IUCAKERBSA-N 0 1 227.739 2.161 20 0 BEADMN CC1=CC[C@@H](N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000816591868 586742887 /nfs/dbraw/zinc/74/28/87/586742887.db2.gz QIOKGRNJRUKOJH-GHMZBOCLSA-N 0 1 247.346 2.157 20 0 BEADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000859809701 589062720 /nfs/dbraw/zinc/06/27/20/589062720.db2.gz XJFFZXWTHBDPMB-CYZMBNFOSA-N 0 1 237.343 2.385 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@H]2C)cn1 ZINC000816646874 586748739 /nfs/dbraw/zinc/74/87/39/586748739.db2.gz KAMPYHTZORQYPZ-GHMZBOCLSA-N 0 1 207.321 2.304 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810756 589062990 /nfs/dbraw/zinc/06/29/90/589062990.db2.gz ATLAXRDFBKBQKF-WZRBSPASSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1CN(Cc2nn(C)c3ccccc23)[C@@H]1C ZINC000816647775 586749955 /nfs/dbraw/zinc/74/99/55/586749955.db2.gz YAVLQNTYUDLLJZ-GHMZBOCLSA-N 0 1 229.327 2.414 20 0 BEADMN C[C@@H]1CN(Cc2nn(C)c3ccccc23)[C@H]1C ZINC000816647776 586750073 /nfs/dbraw/zinc/75/00/73/586750073.db2.gz YAVLQNTYUDLLJZ-MNOVXSKESA-N 0 1 229.327 2.414 20 0 BEADMN C[C@H]1CN(Cc2nn(C)c3ccccc23)[C@H]1C ZINC000816647777 586750232 /nfs/dbraw/zinc/75/02/32/586750232.db2.gz YAVLQNTYUDLLJZ-QWRGUYRKSA-N 0 1 229.327 2.414 20 0 BEADMN Cc1ccc2ncc(CN3C[C@@H](C)[C@@H]3C)n2c1 ZINC000816648453 586751723 /nfs/dbraw/zinc/75/17/23/586751723.db2.gz KZFVPGCNZFABID-NEPJUHHUSA-N 0 1 229.327 2.483 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1CCOC(F)F ZINC000859842406 589065624 /nfs/dbraw/zinc/06/56/24/589065624.db2.gz LNCBXRYDVJTMGG-SSDOTTSWSA-N 0 1 229.217 2.345 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCF)C1 ZINC000817288627 586793356 /nfs/dbraw/zinc/79/33/56/586793356.db2.gz JUIRZORBLVEPGH-GHMZBOCLSA-N 0 1 245.338 2.256 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2=C(C)CCC2)n[nH]1 ZINC000840339804 586798555 /nfs/dbraw/zinc/79/85/55/586798555.db2.gz DFZCNWXOWSOGIE-QMMMGPOBSA-N 0 1 235.287 2.218 20 0 BEADMN O=C([O-])CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929838 589071774 /nfs/dbraw/zinc/07/17/74/589071774.db2.gz MFDXYNLAMSAHGC-MELADBBJSA-N 0 1 245.322 2.197 20 0 BEADMN Cc1cc(CNC[C@H](O)c2ccc(C)cc2)on1 ZINC000818978341 586918847 /nfs/dbraw/zinc/91/88/47/586918847.db2.gz HGUFQROLOXPEAP-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN CCCCCC[C@H](O)CNCc1cc(C)no1 ZINC000818978792 586919202 /nfs/dbraw/zinc/91/92/02/586919202.db2.gz QERAPBWBXCPECW-LBPRGKRZSA-N 0 1 240.347 2.404 20 0 BEADMN NC(CC1CC1)=[NH+]OCc1ccc(C(=O)[O-])cc1 ZINC000819124705 586931924 /nfs/dbraw/zinc/93/19/24/586931924.db2.gz GUGSOIMGIMZSKL-UHFFFAOYSA-N 0 1 248.282 2.183 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C(F)=C1CCC1 ZINC000819393517 586960820 /nfs/dbraw/zinc/96/08/20/586960820.db2.gz FNHBURUKXQTURI-SNVBAGLBSA-N 0 1 249.289 2.311 20 0 BEADMN CCN(c1ccc(NCCC(N)=O)cc1)C(C)C ZINC000819399029 586961524 /nfs/dbraw/zinc/96/15/24/586961524.db2.gz YXFPBPCFQXQURI-UHFFFAOYSA-N 0 1 249.358 2.209 20 0 BEADMN Cc1nc2cc(NC[C@H](O)C3CC3)ccc2n1C ZINC000819450981 586965586 /nfs/dbraw/zinc/96/55/86/586965586.db2.gz IUKBEVXUGDHXAE-AWEZNQCLSA-N 0 1 245.326 2.065 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCC2(CN(C)C2)C1)CC ZINC000819526045 586973810 /nfs/dbraw/zinc/97/38/10/586973810.db2.gz XYGKYWHRBJDOGY-UCPAGOOESA-N 0 1 248.370 2.063 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000819895197 587000889 /nfs/dbraw/zinc/00/08/89/587000889.db2.gz BUHFZNIRBQRXGI-SECBINFHSA-N 0 1 232.283 2.073 20 0 BEADMN CC=C(C=CC(=O)N1CCc2nc[nH]c2C1)CC ZINC000819967851 587008810 /nfs/dbraw/zinc/00/88/10/587008810.db2.gz NXNUZPOUICKYLH-BCTKWJPASA-N 0 1 245.326 2.207 20 0 BEADMN CC[C@@H]1CCCN(C(=O)CN2CCCC2)CC1 ZINC000820071482 587017329 /nfs/dbraw/zinc/01/73/29/587017329.db2.gz YBVMBTNXNGVSAC-CYBMUJFWSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)CN2CCCC2)C1 ZINC000820379484 587045300 /nfs/dbraw/zinc/04/53/00/587045300.db2.gz RMEIPSNKDWKVDM-AWEZNQCLSA-N 0 1 238.375 2.121 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)CN2CCCC2)C1 ZINC000820379485 587045344 /nfs/dbraw/zinc/04/53/44/587045344.db2.gz RMEIPSNKDWKVDM-CQSZACIVSA-N 0 1 238.375 2.121 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@H]1C[C@@H]1c1ccccc1 ZINC000820586163 587056515 /nfs/dbraw/zinc/05/65/15/587056515.db2.gz OEKXAPTYVMJZMQ-CHWSQXEVSA-N 0 1 233.311 2.197 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)[C@@H]1C ZINC000820651953 587062028 /nfs/dbraw/zinc/06/20/28/587062028.db2.gz VRXMWUJIOBDFGM-RNFRBKRXSA-N 0 1 241.237 2.151 20 0 BEADMN CC1(CNC(=O)CN2CCCC2)CCCCC1 ZINC000820825601 587074873 /nfs/dbraw/zinc/07/48/73/587074873.db2.gz ZDWSTTDQVHHIOB-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CCC1(CNC(=O)CN2CCCC2)CCCC1 ZINC000820890750 587080124 /nfs/dbraw/zinc/08/01/24/587080124.db2.gz AMIRUEQLOVFQBH-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CC(F)(F)CCNC(=O)c1cccc(F)c1O ZINC000820905787 587080966 /nfs/dbraw/zinc/08/09/66/587080966.db2.gz WUTKDIKULGUTDM-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C)o1 ZINC000820976555 587085726 /nfs/dbraw/zinc/08/57/26/587085726.db2.gz ISHDBSALEASROW-LBPRGKRZSA-N 0 1 237.299 2.336 20 0 BEADMN CCC[C@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821016411 587088739 /nfs/dbraw/zinc/08/87/39/587088739.db2.gz WGEQIUSKCKQYAB-VIFPVBQESA-N 0 1 249.318 2.128 20 0 BEADMN Cc1ccc([C@@H]2CC[N@@H+](CCC(=O)[O-])C2)cc1 ZINC000821075615 587093950 /nfs/dbraw/zinc/09/39/50/587093950.db2.gz CUXOUXVINAQCOR-CYBMUJFWSA-N 0 1 233.311 2.259 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840423959 587101344 /nfs/dbraw/zinc/10/13/44/587101344.db2.gz HMTRHFUUOSBBEK-XHNCKOQMSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C(F)=C2CCC2)n[nH]1 ZINC000821365136 587112090 /nfs/dbraw/zinc/11/20/90/587112090.db2.gz LBIRCVJYNXFCRB-LURJTMIESA-N 0 1 239.250 2.125 20 0 BEADMN CC1(CCC(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000821363786 587112234 /nfs/dbraw/zinc/11/22/34/587112234.db2.gz QJZPWSBNEQLSTM-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000821509632 587123517 /nfs/dbraw/zinc/12/35/17/587123517.db2.gz SEPIDWQRQLZYJB-GFCCVEGCSA-N 0 1 237.274 2.205 20 0 BEADMN O=C([O-])CCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000821517946 587124510 /nfs/dbraw/zinc/12/45/10/587124510.db2.gz GPQXOUNZEPGBAC-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000821518355 587124908 /nfs/dbraw/zinc/12/49/08/587124908.db2.gz XUSWYLHFSDAHAL-CYBMUJFWSA-N 0 1 248.326 2.473 20 0 BEADMN O=C([O-])CCCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000821517925 587124919 /nfs/dbraw/zinc/12/49/19/587124919.db2.gz CIHKCAUXNSKHPQ-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN O=C(OCC1CC1)c1cc2[nH]cnc2cc1F ZINC000821621594 587132863 /nfs/dbraw/zinc/13/28/63/587132863.db2.gz YNJVDWSVFWMTSS-UHFFFAOYSA-N 0 1 234.230 2.269 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC000860176037 589087025 /nfs/dbraw/zinc/08/70/25/589087025.db2.gz MIDBETWWGIYJJQ-PSASIEDQSA-N 0 1 249.314 2.298 20 0 BEADMN CCC(F)(F)C(=O)NCCN1CCCC[C@H]1C ZINC000822102351 587152625 /nfs/dbraw/zinc/15/26/25/587152625.db2.gz OEPMZDPKVAIRPF-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN C[C@@]1(COC(=O)c2ccc3cncn3c2)C[C@H]1F ZINC000822138532 587156297 /nfs/dbraw/zinc/15/62/97/587156297.db2.gz MGPARODNBMNTHF-YPMHNXCESA-N 0 1 248.257 2.239 20 0 BEADMN ClC1(Cl)C[C@@H]1CCN1CCCOCC1 ZINC000822593104 587176499 /nfs/dbraw/zinc/17/64/99/587176499.db2.gz RINFDIUJTUWIAP-VIFPVBQESA-N 0 1 238.158 2.293 20 0 BEADMN CN(CC[C@H]1CC1(Cl)Cl)Cc1cc[nH]n1 ZINC000822616972 587177989 /nfs/dbraw/zinc/17/79/89/587177989.db2.gz KXVXEEDERSKPRA-QMMMGPOBSA-N 0 1 248.157 2.425 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)C(C)(C)C1 ZINC000822671542 587180266 /nfs/dbraw/zinc/18/02/66/587180266.db2.gz MDXXTGFJOOGIHV-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cncc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000822705725 587182119 /nfs/dbraw/zinc/18/21/19/587182119.db2.gz FQRRZZURUSCCPR-NSHDSACASA-N 0 1 244.298 2.255 20 0 BEADMN C[C@@H](c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1)C1CC1 ZINC000822874588 587190636 /nfs/dbraw/zinc/19/06/36/587190636.db2.gz BCRAWYHWKBDTQG-QQRDMOCMSA-N 0 1 219.288 2.006 20 0 BEADMN C[C@H](c1noc(-c2coc(CN)c2)n1)C1CC1 ZINC000822875672 587190782 /nfs/dbraw/zinc/19/07/82/587190782.db2.gz PFDFJZKBRXUADV-ZETCQYMHSA-N 0 1 233.271 2.302 20 0 BEADMN Cc1ocnc1-c1noc([C@@H]2C[C@H](C)CCN2)n1 ZINC000823141159 587204980 /nfs/dbraw/zinc/20/49/80/587204980.db2.gz SKGGVCHQECMQMF-APPZFPTMSA-N 0 1 248.286 2.094 20 0 BEADMN CCCN(Cc1nn(CC)nc1C)CC1CC1 ZINC000823371902 587218141 /nfs/dbraw/zinc/21/81/41/587218141.db2.gz PHZPFONFXMSHIH-UHFFFAOYSA-N 0 1 236.363 2.228 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000823418098 587220711 /nfs/dbraw/zinc/22/07/11/587220711.db2.gz BVFOKIKHEDSRSY-JSGCOSHPSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000823428345 587221312 /nfs/dbraw/zinc/22/13/12/587221312.db2.gz FNASZTNXDAYJOS-ZYHUDNBSSA-N 0 1 236.363 2.227 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)CN1CCCC1 ZINC000823492863 587226960 /nfs/dbraw/zinc/22/69/60/587226960.db2.gz ATZIUCFEHZAHRP-GXTWGEPZSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000823573690 587231432 /nfs/dbraw/zinc/23/14/32/587231432.db2.gz OUNGCONEOUSGEA-GXFFZTMASA-N 0 1 233.311 2.469 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1CC=CCC1 ZINC000823633906 587233914 /nfs/dbraw/zinc/23/39/14/587233914.db2.gz DOTINLRMIMEAIC-GFCCVEGCSA-N 0 1 247.342 2.423 20 0 BEADMN CC[C@@H](NC(=O)CN1CCCC1)[C@H]1CC1(C)C ZINC000823683360 587236151 /nfs/dbraw/zinc/23/61/51/587236151.db2.gz UXNXJKAIQGGVON-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](NC(=O)CN1CCCC1)[C@@H]1CC1(C)C ZINC000823683359 587236163 /nfs/dbraw/zinc/23/61/63/587236163.db2.gz UXNXJKAIQGGVON-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCn1nc(C)c(CNCCC2=CCCC2)n1 ZINC000824037549 587250446 /nfs/dbraw/zinc/25/04/46/587250446.db2.gz SHEOONDKFXPMBV-UHFFFAOYSA-N 0 1 234.347 2.196 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824039307 587250791 /nfs/dbraw/zinc/25/07/91/587250791.db2.gz UMDQWGJRMXNKTA-NEPJUHHUSA-N 0 1 240.347 2.321 20 0 BEADMN CC(C)=C(C)C(=O)N(C)Cc1cn[nH]c1C ZINC000824050541 587251722 /nfs/dbraw/zinc/25/17/22/587251722.db2.gz FVEGUIAEBOUKQQ-UHFFFAOYSA-N 0 1 221.304 2.033 20 0 BEADMN CCOCCNCc1ccnc(Cl)c1F ZINC000824084371 587254315 /nfs/dbraw/zinc/25/43/15/587254315.db2.gz CSYSJFDPHVTYDH-UHFFFAOYSA-N 0 1 232.686 2.000 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nn(CC)nc1C ZINC000824195402 587259724 /nfs/dbraw/zinc/25/97/24/587259724.db2.gz DIVSULDKVZWPEK-MFKMUULPSA-N 0 1 236.363 2.227 20 0 BEADMN Fc1cc(CNC[C@H]2CCC=CO2)c(F)cn1 ZINC000824232466 587261724 /nfs/dbraw/zinc/26/17/24/587261724.db2.gz ZDQIQYFOWWUAEP-SNVBAGLBSA-N 0 1 240.253 2.142 20 0 BEADMN Fc1cc(CNC[C@@H]2CCC=CO2)c(F)cn1 ZINC000824232464 587261788 /nfs/dbraw/zinc/26/17/88/587261788.db2.gz ZDQIQYFOWWUAEP-JTQLQIEISA-N 0 1 240.253 2.142 20 0 BEADMN C/C=C(\CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840486106 587264623 /nfs/dbraw/zinc/26/46/23/587264623.db2.gz GVENWUTUJHDBFX-AJQDLKILSA-N 0 1 223.276 2.074 20 0 BEADMN C/C=C(\CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840486109 587265011 /nfs/dbraw/zinc/26/50/11/587265011.db2.gz GVENWUTUJHDBFX-JGESFRBXSA-N 0 1 223.276 2.074 20 0 BEADMN Cc1nonc1CN[C@@H]1CCCC12CCC2 ZINC000824389734 587269159 /nfs/dbraw/zinc/26/91/59/587269159.db2.gz RUZPEKUJZCZIMK-LLVKDONJSA-N 0 1 221.304 2.190 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)CN1CCCC1 ZINC000824408073 587269528 /nfs/dbraw/zinc/26/95/28/587269528.db2.gz JOXFVOGMRKBEIK-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CS[C@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000824683546 587282729 /nfs/dbraw/zinc/28/27/29/587282729.db2.gz ONDCZMXYLLFDSV-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN CC[C@](C)(CNCc1cc(F)ncc1F)OC ZINC000824743394 587285146 /nfs/dbraw/zinc/28/51/46/587285146.db2.gz AYMWXLQPAQQDPM-GFCCVEGCSA-N 0 1 244.285 2.265 20 0 BEADMN Cn1ccc(CNC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000824765086 587286650 /nfs/dbraw/zinc/28/66/50/587286650.db2.gz GSCYJCWOONMXSX-SECBINFHSA-N 0 1 248.157 2.094 20 0 BEADMN Cc1c[nH]nc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000824774053 587286931 /nfs/dbraw/zinc/28/69/31/587286931.db2.gz QFGMAMVLCSOLFB-SECBINFHSA-N 0 1 248.157 2.392 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1)C1(C)CC1 ZINC000825056534 587300323 /nfs/dbraw/zinc/30/03/23/587300323.db2.gz QIZFVTLEJYTJMO-QWRGUYRKSA-N 0 1 240.347 2.107 20 0 BEADMN CCC(C)(C)CCNC(=O)CN1CCCC1 ZINC000825226960 587309983 /nfs/dbraw/zinc/30/99/83/587309983.db2.gz UMUNGGTYENHSDN-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000825267122 587312275 /nfs/dbraw/zinc/31/22/75/587312275.db2.gz XLWDPQWOACZBMH-JQWIXIFHSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)CCNC(=O)[O-] ZINC000825646045 587329139 /nfs/dbraw/zinc/32/91/39/587329139.db2.gz XZANFAKUGVCACH-QMMMGPOBSA-N 0 1 228.317 2.009 20 0 BEADMN CC(C)CCCCCC(=O)N1CCNCC1 ZINC000825660355 587329535 /nfs/dbraw/zinc/32/95/35/587329535.db2.gz NINGJOXPWMLUOH-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C/C(=C\C[N@H+](C)C(C1CC1)C1CC1)C(=O)[O-] ZINC000825730014 587333893 /nfs/dbraw/zinc/33/38/93/587333893.db2.gz PSYYHHUPZRNYQI-VQHVLOKHSA-N 0 1 223.316 2.138 20 0 BEADMN C/C(=C\C[N@H+]([C@@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000825729837 587333901 /nfs/dbraw/zinc/33/39/01/587333901.db2.gz NELAQQFYMAEGTM-PCYYEKQGSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729696 587334401 /nfs/dbraw/zinc/33/44/01/587334401.db2.gz KUJREZMTZQPUTB-ZJRUKIMVSA-N 0 1 249.310 2.416 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@@H]1c1cccn1C)C(=O)[O-] ZINC000825741499 587335644 /nfs/dbraw/zinc/33/56/44/587335644.db2.gz OLHPOPVNZRRXQZ-LWMSPQMPSA-N 0 1 248.326 2.193 20 0 BEADMN C/C(=C/C[N@H+]1CCc2c(C)cccc2C1)C(=O)[O-] ZINC000825747211 587336496 /nfs/dbraw/zinc/33/64/96/587336496.db2.gz QTEHJXBBOKGVGU-SDQBBNPISA-N 0 1 245.322 2.384 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C(C)(C)C1 ZINC000826048444 587349478 /nfs/dbraw/zinc/34/94/78/587349478.db2.gz IERHHIFTCVSLCC-QWRGUYRKSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000826644715 587357691 /nfs/dbraw/zinc/35/76/91/587357691.db2.gz KXWRXADNMGNOJF-WCQYABFASA-N 0 1 240.347 2.108 20 0 BEADMN Cc1cc(CNCCc2cnccc2C)no1 ZINC000826921051 587365708 /nfs/dbraw/zinc/36/57/08/587365708.db2.gz NEALUCBOZUTRNP-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CCn1cc(CNC2CC(C(C)(C)C)C2)nn1 ZINC000827087992 587369919 /nfs/dbraw/zinc/36/99/19/587369919.db2.gz XYCYIHNIBKASAW-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN CCC[C@H](O)CN1CCC[C@H]1c1cc(C)on1 ZINC000827332291 587377086 /nfs/dbraw/zinc/37/70/86/587377086.db2.gz MHJLGHXXCOECHC-AAEUAGOBSA-N 0 1 238.331 2.281 20 0 BEADMN C[S@](=O)CCN1CCC[C@H]1c1ccsc1 ZINC000827406439 587380224 /nfs/dbraw/zinc/38/02/24/587380224.db2.gz LBZJSWACUBDANN-NHYWBVRUSA-N 0 1 243.397 2.264 20 0 BEADMN FC(F)(F)c1cc(CN2CC[C@H]3C[C@H]3C2)[nH]n1 ZINC000827507130 587384796 /nfs/dbraw/zinc/38/47/96/587384796.db2.gz VHSILAKFLFHONR-YUMQZZPRSA-N 0 1 245.248 2.270 20 0 BEADMN CCc1cc(CNc2nnc(C(C)C)o2)n[nH]1 ZINC000827619422 587392872 /nfs/dbraw/zinc/39/28/72/587392872.db2.gz XHBIPJLOGBPQIK-UHFFFAOYSA-N 0 1 235.291 2.091 20 0 BEADMN CC(C(=O)N1[C@H](C)CN(C)C[C@H]1C)=C1CCC1 ZINC000827720029 587399325 /nfs/dbraw/zinc/39/93/25/587399325.db2.gz IAPVHUSHTBIACZ-GHMZBOCLSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827951646 587412722 /nfs/dbraw/zinc/41/27/22/587412722.db2.gz ZGTFOCBVWSBXJA-ZWNOBZJWSA-N 0 1 237.274 2.246 20 0 BEADMN CCc1nc([C@H](C)NC(=O)C(C)=C2CCC2)n[nH]1 ZINC000828032432 587417213 /nfs/dbraw/zinc/41/72/13/587417213.db2.gz VEPQVALAXARRCJ-VIFPVBQESA-N 0 1 248.330 2.045 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCC[C@H]2CCOC2)n1 ZINC000828127215 587420394 /nfs/dbraw/zinc/42/03/94/587420394.db2.gz GWSBLQJMEPCTFH-STQMWFEESA-N 0 1 249.358 2.363 20 0 BEADMN C[N@@H+](CCC1CC1)CC(C)(C)CNC(=O)[O-] ZINC000828272472 587430269 /nfs/dbraw/zinc/43/02/69/587430269.db2.gz CLVVMLYATVJCSQ-UHFFFAOYSA-N 0 1 228.336 2.012 20 0 BEADMN C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828272677 587430304 /nfs/dbraw/zinc/43/03/04/587430304.db2.gz HTMSVHKOPMJMOR-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN CCn1nc(C)c(CN(C(C)C)C(C)C)n1 ZINC000828610409 587453565 /nfs/dbraw/zinc/45/35/65/587453565.db2.gz BKUWBXGUXNGDSY-UHFFFAOYSA-N 0 1 224.352 2.225 20 0 BEADMN CN(C(=O)c1nc[nH]c1C(F)(F)F)C1CCC1 ZINC000828825547 587464851 /nfs/dbraw/zinc/46/48/51/587464851.db2.gz SDPBDSHPCKQEHL-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN CC(C)C[C@H](C)N1CCO[C@H](C(F)F)C1 ZINC000829506842 587500830 /nfs/dbraw/zinc/50/08/30/587500830.db2.gz YTPKATVVDQXTBT-UWVGGRQHSA-N 0 1 221.291 2.387 20 0 BEADMN CCC(C)=CC(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000829542045 587502958 /nfs/dbraw/zinc/50/29/58/587502958.db2.gz FJKDGXAJDDHDNC-QROTZFDESA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)[C@](C)(CO)NCc1csc(Cl)n1 ZINC000829957328 587529979 /nfs/dbraw/zinc/52/99/79/587529979.db2.gz GJFYJFLVASILFA-JTQLQIEISA-N 0 1 248.779 2.293 20 0 BEADMN Cc1ccc(OCCN(C(C)C)C2COC2)cc1 ZINC000830217197 587541621 /nfs/dbraw/zinc/54/16/21/587541621.db2.gz FOMSGRLPCJLWNS-UHFFFAOYSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1cccc(C)c1CNC(=O)C1(N(C)C)CC1 ZINC000830417631 587551024 /nfs/dbraw/zinc/55/10/24/587551024.db2.gz NMMYRPWOXNDMMK-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000830560391 587558429 /nfs/dbraw/zinc/55/84/29/587558429.db2.gz WRORRXFBJRQORC-LBPRGKRZSA-N 0 1 248.326 2.052 20 0 BEADMN Cc1cc(CNC(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC000830578615 587559022 /nfs/dbraw/zinc/55/90/22/587559022.db2.gz DAZYHFVYTUTFKW-SNVBAGLBSA-N 0 1 239.319 2.379 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000830606880 587559931 /nfs/dbraw/zinc/55/99/31/587559931.db2.gz FUQFIWBHIQICKQ-WDEREUQCSA-N 0 1 249.314 2.015 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CCCCN(C(=O)[O-])C2)c1 ZINC000830611587 587560013 /nfs/dbraw/zinc/56/00/13/587560013.db2.gz MQRCWAWEUJFILS-NSHDSACASA-N 0 1 249.314 2.334 20 0 BEADMN CC(C)C(=O)CCN1C[C@H](C)OC2(CCC2)C1 ZINC000830738963 587565857 /nfs/dbraw/zinc/56/58/57/587565857.db2.gz ANEINTLFABEVRE-LBPRGKRZSA-N 0 1 239.359 2.245 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)OC1CCC1 ZINC000830888959 587575160 /nfs/dbraw/zinc/57/51/60/587575160.db2.gz LCKPSXOMYOFSPN-JTQLQIEISA-N 0 1 235.287 2.066 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)OC1CCC1 ZINC000830888962 587575358 /nfs/dbraw/zinc/57/53/58/587575358.db2.gz LCKPSXOMYOFSPN-SNVBAGLBSA-N 0 1 235.287 2.066 20 0 BEADMN CCN(CCSC)Cc1cnc(Cl)cn1 ZINC000830999790 587581500 /nfs/dbraw/zinc/58/15/00/587581500.db2.gz UFLQQFWINADMCU-UHFFFAOYSA-N 0 1 245.779 2.315 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCCC1CCC1 ZINC000831184901 587590343 /nfs/dbraw/zinc/59/03/43/587590343.db2.gz XWUREAHMRQLQRM-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN C[C@@H]1CC/C(=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000831605447 587622596 /nfs/dbraw/zinc/62/25/96/587622596.db2.gz CFOZOIUSCGMQHE-WXZMBYTFSA-N 0 1 248.370 2.086 20 0 BEADMN Nc1ccnc(CN2CCCCCCCC2)n1 ZINC000831937355 587637192 /nfs/dbraw/zinc/63/71/92/587637192.db2.gz QAKJJVXXBHCDIC-UHFFFAOYSA-N 0 1 234.347 2.215 20 0 BEADMN CCC(=O)CCN1CCc2cccc(OC)c2C1 ZINC000831949187 587637996 /nfs/dbraw/zinc/63/79/96/587637996.db2.gz UGNWNFFUYRLZJM-UHFFFAOYSA-N 0 1 247.338 2.423 20 0 BEADMN CCON(Cc1c[nH]nn1)CC1CCCCC1 ZINC000832791057 587689863 /nfs/dbraw/zinc/68/98/63/587689863.db2.gz CASRGMHLKSJDIJ-UHFFFAOYSA-N 0 1 238.335 2.139 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCC2CCCC2)C1 ZINC000833176060 587700910 /nfs/dbraw/zinc/70/09/10/587700910.db2.gz WEPMZOKRMRITDH-GFCCVEGCSA-N 0 1 229.295 2.065 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CC2CCCCC2)C1 ZINC000833176322 587701509 /nfs/dbraw/zinc/70/15/09/587701509.db2.gz XGZOVXQEKCZPIW-LBPRGKRZSA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833468265 587716137 /nfs/dbraw/zinc/71/61/37/587716137.db2.gz DGJDJNJYFKLLEL-VIFPVBQESA-N 0 1 224.304 2.189 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cncs1 ZINC000833486200 587717190 /nfs/dbraw/zinc/71/71/90/587717190.db2.gz BHNGCGUMHDYRMH-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833516458 587718329 /nfs/dbraw/zinc/71/83/29/587718329.db2.gz XDPFQJXOGNYCFO-VIFPVBQESA-N 0 1 248.326 2.476 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833561363 587720012 /nfs/dbraw/zinc/72/00/12/587720012.db2.gz ZHXCQXYBPUGKND-UHFFFAOYSA-N 0 1 222.288 2.087 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)[C@H](C)C(C)C)O1 ZINC000833576410 587721255 /nfs/dbraw/zinc/72/12/55/587721255.db2.gz JOYMGOTXIILASQ-KOLCDFICSA-N 0 1 241.331 2.110 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833602695 587723463 /nfs/dbraw/zinc/72/34/63/587723463.db2.gz KNAIHPQUAIQPQG-UWVGGRQHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)[C@@H]1C ZINC000833612611 587724091 /nfs/dbraw/zinc/72/40/91/587724091.db2.gz AUUPPOJZBWNRDS-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H]1C(=O)[O-] ZINC000833629806 587725182 /nfs/dbraw/zinc/72/51/82/587725182.db2.gz MOSFKDBATMTOPI-VXNVDRBHSA-N 0 1 243.690 2.086 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000833678844 587727339 /nfs/dbraw/zinc/72/73/39/587727339.db2.gz PXXZRGZSGFAYRP-SCZZXKLOSA-N 0 1 235.283 2.134 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH]1 ZINC000833779174 587731616 /nfs/dbraw/zinc/73/16/16/587731616.db2.gz KARFNWLNRIFMBU-AAEUAGOBSA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@H]1C=CCCC1 ZINC000833833502 587735298 /nfs/dbraw/zinc/73/52/98/587735298.db2.gz YRBJSOSPWDHZOC-WOPDTQHZSA-N 0 1 238.331 2.073 20 0 BEADMN CCCCC[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833853629 587735767 /nfs/dbraw/zinc/73/57/67/587735767.db2.gz QYEZWLGOZZSSMA-GHMZBOCLSA-N 0 1 228.336 2.155 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@@H](C)C1CC1 ZINC000834469413 587755763 /nfs/dbraw/zinc/75/57/63/587755763.db2.gz AJONYOIEGSZXHU-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C=C1CCCC1 ZINC000834469671 587755834 /nfs/dbraw/zinc/75/58/34/587755834.db2.gz MCUIGNQNZKPQFA-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@H](C)C1CC1 ZINC000834469414 587755991 /nfs/dbraw/zinc/75/59/91/587755991.db2.gz AJONYOIEGSZXHU-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](NC1CCC2(CC1)OCCO2)C(F)F ZINC000834826660 587768041 /nfs/dbraw/zinc/76/80/41/587768041.db2.gz GVDPYIOCCNQBON-SNVBAGLBSA-N 0 1 249.301 2.305 20 0 BEADMN CCc1nc(CN[C@H](C)C(C)(C)OC)co1 ZINC000834898155 587769509 /nfs/dbraw/zinc/76/95/09/587769509.db2.gz JNRAINGWEBLAPN-SECBINFHSA-N 0 1 226.320 2.140 20 0 BEADMN C[C@H]1CC[C@H](CNCc2cc(F)ncc2F)O1 ZINC000835087241 587781765 /nfs/dbraw/zinc/78/17/65/587781765.db2.gz OKCMLZXOLPJNDC-WCBMZHEXSA-N 0 1 242.269 2.017 20 0 BEADMN CC[C@H](CC(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000835224100 587790261 /nfs/dbraw/zinc/79/02/61/587790261.db2.gz VIMJAVRLYOSGKD-SNVBAGLBSA-N 0 1 239.319 2.229 20 0 BEADMN CC[C@H](C(=O)OCC(C)(C)OC)N(CC)CC ZINC000835499169 587805585 /nfs/dbraw/zinc/80/55/85/587805585.db2.gz QXJFBFBHKWKYHB-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@@H](OC(=O)CCc1nc[nH]n1)[C@@H](C)CC ZINC000835588993 587808307 /nfs/dbraw/zinc/80/83/07/587808307.db2.gz MTDUCJCAUNISDA-VHSXEESVSA-N 0 1 239.319 2.105 20 0 BEADMN CS[C@H](C)CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000835665195 587810893 /nfs/dbraw/zinc/81/08/93/587810893.db2.gz DWTKUPABCVYANI-GHMZBOCLSA-N 0 1 247.404 2.257 20 0 BEADMN CCC(C)(C)c1noc(Cc2cc(C)n[nH]2)n1 ZINC000867173493 587831032 /nfs/dbraw/zinc/83/10/32/587831032.db2.gz DWPRZNQUXKHTMK-UHFFFAOYSA-N 0 1 234.303 2.380 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837006081 587847135 /nfs/dbraw/zinc/84/71/35/587847135.db2.gz ZMLJABRVIOUTPP-DTCSVVGVSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000840581497 587912678 /nfs/dbraw/zinc/91/26/78/587912678.db2.gz OCLDZYJZKAQQKQ-NOZJJQNGSA-N 0 1 249.314 2.464 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H](C)c1ccn(C)n1 ZINC000840714323 587917795 /nfs/dbraw/zinc/91/77/95/587917795.db2.gz ZBHFPBZXTZLWSH-GHMZBOCLSA-N 0 1 233.315 2.295 20 0 BEADMN CCn1nc(C)c(-c2nc3ccc(F)cc3[nH]2)n1 ZINC000840761921 587920522 /nfs/dbraw/zinc/92/05/22/587920522.db2.gz HFRXFTAIMSCUIY-UHFFFAOYSA-N 0 1 245.261 2.289 20 0 BEADMN c1cc(CN2CCC(c3ccncn3)CC2)co1 ZINC000840953211 587932034 /nfs/dbraw/zinc/93/20/34/587932034.db2.gz JIEPFJNSUCWOKL-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CS1 ZINC000840996498 587933871 /nfs/dbraw/zinc/93/38/71/587933871.db2.gz VKUWVJMMURZWAO-AXFHLTTASA-N 0 1 243.372 2.066 20 0 BEADMN NCC(F)(F)CNC1CCCCCCC1 ZINC000841060327 587941413 /nfs/dbraw/zinc/94/14/13/587941413.db2.gz VGUPUCSDNXHKES-UHFFFAOYSA-N 0 1 220.307 2.283 20 0 BEADMN C[C@H]1[C@@H](C)N(Cn2cc(Cl)cn2)C[C@H]1C ZINC000841687808 587972252 /nfs/dbraw/zinc/97/22/52/587972252.db2.gz AKURARHNPGLGRQ-OPRDCNLKSA-N 0 1 227.739 2.470 20 0 BEADMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccnc1Cl ZINC000841759314 587974556 /nfs/dbraw/zinc/97/45/56/587974556.db2.gz MYWOQXAJQJIXHT-HOTUBEGUSA-N 0 1 240.734 2.299 20 0 BEADMN CCC(N)=NOC[C@@H]1CCC(F)(F)C1 ZINC000842023378 587989685 /nfs/dbraw/zinc/98/96/85/587989685.db2.gz FTOLCOYQWOODJT-SSDOTTSWSA-N 0 1 206.236 2.330 20 0 BEADMN O=c1sccn1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000842617919 588045323 /nfs/dbraw/zinc/04/53/23/588045323.db2.gz KOXSUALRHZHJKX-QWRGUYRKSA-N 0 1 238.356 2.132 20 0 BEADMN CC(C)[C@@H](F)c1nc(C2(N)CCC2)no1 ZINC000842621052 588045966 /nfs/dbraw/zinc/04/59/66/588045966.db2.gz WXHKUQSYLHCHRB-SSDOTTSWSA-N 0 1 213.256 2.074 20 0 BEADMN C[C@@H]1CC(=O)N(CN(C)CCC(C)(C)C)C1 ZINC000842630401 588046560 /nfs/dbraw/zinc/04/65/60/588046560.db2.gz FBKVFWNASISNIE-LLVKDONJSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@H]1C(=O)N(CN(C)CCC(C)(C)C)C[C@H]1C ZINC000842630365 588046841 /nfs/dbraw/zinc/04/68/41/588046841.db2.gz CCWLPUZRGQRAJH-VXGBXAGGSA-N 0 1 240.391 2.426 20 0 BEADMN CN(CCC(C)(C)C)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000842631441 588047227 /nfs/dbraw/zinc/04/72/27/588047227.db2.gz NPELKIYKCDSZPH-NEPJUHHUSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@H]1C[C@H](NCc2cccnc2Cl)CO1 ZINC000842774373 588062376 /nfs/dbraw/zinc/06/23/76/588062376.db2.gz GVMKKZFKNWDVDL-WPRPVWTQSA-N 0 1 226.707 2.002 20 0 BEADMN C[C@@H]1C[C@H](NCc2cccnc2Cl)CO1 ZINC000842774371 588062440 /nfs/dbraw/zinc/06/24/40/588062440.db2.gz GVMKKZFKNWDVDL-SCZZXKLOSA-N 0 1 226.707 2.002 20 0 BEADMN C/C=C(\C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000842843233 588067643 /nfs/dbraw/zinc/06/76/43/588067643.db2.gz DPKDUHSNSBGBTH-PFEDMVJOSA-N 0 1 213.321 2.082 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H](C)OCC2CC2)n1 ZINC000843149721 588087208 /nfs/dbraw/zinc/08/72/08/588087208.db2.gz OWMCIDPESJPWDF-WCBMZHEXSA-N 0 1 239.319 2.213 20 0 BEADMN CC(C)[C@@H](N)c1noc(C[C@@H](C)C2CC2)n1 ZINC000843149044 588087340 /nfs/dbraw/zinc/08/73/40/588087340.db2.gz IIUDIWBQPXUDNS-LDYMZIIASA-N 0 1 223.320 2.314 20 0 BEADMN Cc1ccc(Cc2nc([C@@H](N)C(C)C)no2)o1 ZINC000843149877 588087393 /nfs/dbraw/zinc/08/73/93/588087393.db2.gz FSOZWUSDYUAPPX-NSHDSACASA-N 0 1 235.287 2.218 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2conc2C2CC2)n1 ZINC000843150618 588087411 /nfs/dbraw/zinc/08/74/11/588087411.db2.gz BNOAPMBXZIFJDJ-SECBINFHSA-N 0 1 248.286 2.258 20 0 BEADMN CC[C@@H](C)OCc1nc([C@H](N)C(C)C)no1 ZINC000843150147 588087502 /nfs/dbraw/zinc/08/75/02/588087502.db2.gz HHTKMVGUYOVOBW-PSASIEDQSA-N 0 1 227.308 2.041 20 0 BEADMN CCCOc1cccc(-c2noc(CNC)n2)c1 ZINC000843181835 588089801 /nfs/dbraw/zinc/08/98/01/588089801.db2.gz HMCQYNAMWIGEIG-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCNC[C@H]1CCC ZINC000843453928 588111984 /nfs/dbraw/zinc/11/19/84/588111984.db2.gz MSNSSNMRFBXUMY-KXXVWKPMSA-N 0 1 238.375 2.333 20 0 BEADMN CCC/C(C)=C\C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000843469838 588113150 /nfs/dbraw/zinc/11/31/50/588113150.db2.gz XIEATYAIRNRCOA-QEEXHBDFSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1nc2ccc(NC(=O)C3(F)CC3)cc2[nH]1 ZINC000843758825 588137710 /nfs/dbraw/zinc/13/77/10/588137710.db2.gz BJEWGNMOQXFCKM-UHFFFAOYSA-N 0 1 233.246 2.312 20 0 BEADMN Cc1cc(CNC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000843799316 588140533 /nfs/dbraw/zinc/14/05/33/588140533.db2.gz WBMMFUKFNFTHFT-SREVYHEPSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)OC(C)(C)C)n[nH]1 ZINC000867334950 588149859 /nfs/dbraw/zinc/14/98/59/588149859.db2.gz FKSDYQMNQHLHKI-QMMMGPOBSA-N 0 1 239.319 2.174 20 0 BEADMN CCON(C(=O)c1ccc2cncn2c1)C(C)C ZINC000844074787 588160080 /nfs/dbraw/zinc/16/00/80/588160080.db2.gz SJMGYSFIJXTVNO-UHFFFAOYSA-N 0 1 247.298 2.136 20 0 BEADMN c1c(CN2CCCC23CCC3)nn2c1CCC2 ZINC000844324699 588185281 /nfs/dbraw/zinc/18/52/81/588185281.db2.gz PFZZHGYQSBPPHK-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN FC1(F)C[C@]12CCCN(Cc1ncc[nH]1)C2 ZINC000844437009 588192959 /nfs/dbraw/zinc/19/29/59/588192959.db2.gz KLMHUZPRGJHGMK-JTQLQIEISA-N 0 1 227.258 2.031 20 0 BEADMN FC1(F)[C@H]2CN(C[C@@H]3CC3(Cl)Cl)C[C@H]21 ZINC000844446443 588194306 /nfs/dbraw/zinc/19/43/06/588194306.db2.gz DJHZGWUUKAWPQG-LYFYHCNISA-N 0 1 242.096 2.377 20 0 BEADMN Cc1ncccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460585 588197067 /nfs/dbraw/zinc/19/70/67/588197067.db2.gz FLAYUNHMUSKNBA-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN C/C=C(\CC)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844643214 588212254 /nfs/dbraw/zinc/21/22/54/588212254.db2.gz PKOZIAFUVLPPDE-IGRGADLESA-N 0 1 238.375 2.282 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000844839690 588218341 /nfs/dbraw/zinc/21/83/41/588218341.db2.gz RVWMDCWPHNAIHD-SECBINFHSA-N 0 1 242.706 2.030 20 0 BEADMN CCCC(C)(C)C(=O)OCc1n[nH]c(CC)n1 ZINC000845356107 588227671 /nfs/dbraw/zinc/22/76/71/588227671.db2.gz BGGRRCROSFKXRV-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN C/C=C(\C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845735601 588243086 /nfs/dbraw/zinc/24/30/86/588243086.db2.gz YJFKFFVOLXRYQC-RUYJGKKWSA-N 0 1 225.332 2.369 20 0 BEADMN COC(=O)CC1(NCc2cc(C)oc2C)CC1 ZINC000846026974 588253857 /nfs/dbraw/zinc/25/38/57/588253857.db2.gz KCVBKBCSIDYALE-UHFFFAOYSA-N 0 1 237.299 2.082 20 0 BEADMN Cc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000846110714 588256897 /nfs/dbraw/zinc/25/68/97/588256897.db2.gz KLQOMWGUFJTVEG-AOOOYVTPSA-N 0 1 213.227 2.285 20 0 BEADMN COc1ccccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110654 588257126 /nfs/dbraw/zinc/25/71/26/588257126.db2.gz JMZQYJYYVSZKFK-PHIMTYICSA-N 0 1 239.265 2.392 20 0 BEADMN Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)nn1 ZINC000846117025 588257779 /nfs/dbraw/zinc/25/77/79/588257779.db2.gz LYCBDVWBSQTLRD-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN C[C@@H](N[C@H](CO)CCF)c1cccnc1Cl ZINC000846209794 588260008 /nfs/dbraw/zinc/26/00/08/588260008.db2.gz VFYDQSYIDJTMCM-BDAKNGLRSA-N 0 1 246.713 2.106 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(CF)cc1 ZINC000846265743 588263573 /nfs/dbraw/zinc/26/35/73/588263573.db2.gz PVLOJSVZJPFIAI-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN CCCCCC[N@H+]1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000846282713 588264159 /nfs/dbraw/zinc/26/41/59/588264159.db2.gz AQOOUHCSPBBHFP-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H]1CSCCN1Cc1ccc2nonc2c1 ZINC000846805852 588289529 /nfs/dbraw/zinc/28/95/29/588289529.db2.gz GYGFFYLNRUGWTH-VIFPVBQESA-N 0 1 249.339 2.160 20 0 BEADMN Cc1nsc(C)c1CN1CCOC[C@@H](C)C1 ZINC000846834587 588291781 /nfs/dbraw/zinc/29/17/81/588291781.db2.gz PLHHICDTSPTWKX-VIFPVBQESA-N 0 1 240.372 2.228 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NCc1cnsn1 ZINC000846841165 588292537 /nfs/dbraw/zinc/29/25/37/588292537.db2.gz AIHXPRNANSBCRP-IUCAKERBSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1nsc(C)c1CN1CCOCC[C@@H]1C ZINC000846846915 588292931 /nfs/dbraw/zinc/29/29/31/588292931.db2.gz KASPNAAGOOUPTI-VIFPVBQESA-N 0 1 240.372 2.371 20 0 BEADMN CC(=O)C1CCN([C@H](C)c2ccccn2)CC1 ZINC000846945486 588298069 /nfs/dbraw/zinc/29/80/69/588298069.db2.gz BZVWLJPVCZLJFJ-LLVKDONJSA-N 0 1 232.327 2.444 20 0 BEADMN C[C@H](C(=O)OCc1cc(C2CC2)[nH]n1)C1CC1 ZINC000848012526 588347338 /nfs/dbraw/zinc/34/73/38/588347338.db2.gz BRPMIPYJOFTLQL-QMMMGPOBSA-N 0 1 234.299 2.376 20 0 BEADMN CC(C)[C@@H](F)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848012973 588347649 /nfs/dbraw/zinc/34/76/49/588347649.db2.gz ZSPFHTLIJGUASK-LLVKDONJSA-N 0 1 240.278 2.324 20 0 BEADMN CC(C)=CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848016377 588348123 /nfs/dbraw/zinc/34/81/23/588348123.db2.gz WPPHMKOELIBZKY-UHFFFAOYSA-N 0 1 220.272 2.297 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1cccnc1 ZINC000848016467 588348137 /nfs/dbraw/zinc/34/81/37/588348137.db2.gz ZPIHTFLOTIDWMO-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN COC(=O)/C=C\c1ccc(CN2CC=CCC2)o1 ZINC000848900906 588417653 /nfs/dbraw/zinc/41/76/53/588417653.db2.gz MLLZJDKCIUFGNA-FPLPWBNLSA-N 0 1 247.294 2.228 20 0 BEADMN CC(C)c1ccc2nc(-c3cnn(C)n3)[nH]c2c1 ZINC000849183784 588460465 /nfs/dbraw/zinc/46/04/65/588460465.db2.gz USSOHDDSXOGLRC-UHFFFAOYSA-N 0 1 241.298 2.482 20 0 BEADMN C[C@@H](NCCCC1CCC1)c1nnnn1C1CC1 ZINC000849323303 588472395 /nfs/dbraw/zinc/47/23/95/588472395.db2.gz KUMUSSGQIFRHEL-SNVBAGLBSA-N 0 1 249.362 2.239 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CC(C)(C)C)n[nH]1 ZINC000849631451 588482577 /nfs/dbraw/zinc/48/25/77/588482577.db2.gz CCSZUTFUWGZJGC-MRVPVSSYSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H](C)CC)n[nH]1 ZINC000849649856 588484148 /nfs/dbraw/zinc/48/41/48/588484148.db2.gz WGXYFJKJFZZWKD-SFYZADRCSA-N 0 1 225.292 2.017 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000849646831 588484159 /nfs/dbraw/zinc/48/41/59/588484159.db2.gz DILLCDSCZJXEGW-ZJUUUORDSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CCC(C)C)n[nH]1 ZINC000849651170 588484222 /nfs/dbraw/zinc/48/42/22/588484222.db2.gz ATVBKHUHXOKYIN-VIFPVBQESA-N 0 1 239.319 2.408 20 0 BEADMN CC/C=C(/C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849652185 588484398 /nfs/dbraw/zinc/48/43/98/588484398.db2.gz XMOYYHXGUOKOMT-FUOZMLNRSA-N 0 1 237.303 2.328 20 0 BEADMN CC(C)=CCCOC(=O)Cc1cc(C)[nH]n1 ZINC000849741536 588492382 /nfs/dbraw/zinc/49/23/82/588492382.db2.gz QLLOFTZKMUCYNU-UHFFFAOYSA-N 0 1 222.288 2.160 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2=CCCCC2)n[nH]1 ZINC000849760708 588494905 /nfs/dbraw/zinc/49/49/05/588494905.db2.gz JHXAOBWSZDXTQD-VIFPVBQESA-N 0 1 249.314 2.472 20 0 BEADMN CC(C)(C(=O)OCC1CC=CC1)N1CCCC1 ZINC000849776573 588497105 /nfs/dbraw/zinc/49/71/05/588497105.db2.gz MQCHDODUIRUJNW-UHFFFAOYSA-N 0 1 237.343 2.370 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2CC)n[nH]1 ZINC000849792722 588499686 /nfs/dbraw/zinc/49/96/86/588499686.db2.gz GXNNRQNHPXOKAM-DJLDLDEBSA-N 0 1 237.303 2.017 20 0 BEADMN Cc1ncc(CNCc2c(C)cccc2F)n1C ZINC000850161051 588522268 /nfs/dbraw/zinc/52/22/68/588522268.db2.gz WGEMIPBWGKCBKL-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2CC3(CC3)C2)n[nH]1 ZINC000850216459 588529805 /nfs/dbraw/zinc/52/98/05/588529805.db2.gz SMEXYMUDQQVWCX-MRVPVSSYSA-N 0 1 249.314 2.162 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC000850264633 588533538 /nfs/dbraw/zinc/53/35/38/588533538.db2.gz IUCHVUVZEZXEPA-AXTSPUMRSA-N 0 1 249.314 2.017 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cccnc2Cl)[C@@H](C)O1 ZINC000850351899 588538298 /nfs/dbraw/zinc/53/82/98/588538298.db2.gz JNIDRENXJPDFFR-FXPVBKGRSA-N 0 1 240.734 2.391 20 0 BEADMN CCc1ccc(C)nc1NCc1cn(C)cn1 ZINC000850355743 588538391 /nfs/dbraw/zinc/53/83/91/588538391.db2.gz LCIXTLNHJQXACY-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN CC[C@H](C)CCNCc1nn(CC)nc1C ZINC000850356097 588538455 /nfs/dbraw/zinc/53/84/55/588538455.db2.gz RJEYAEZSXBPNBQ-JTQLQIEISA-N 0 1 224.352 2.132 20 0 BEADMN Cc1ccc2nc(CN[C@@H]3C=CCC3)cn2c1 ZINC000850358677 588539347 /nfs/dbraw/zinc/53/93/47/588539347.db2.gz JRLGEZNGOXXLRT-GFCCVEGCSA-N 0 1 227.311 2.451 20 0 BEADMN O[C@@H]1C[C@@H](NCc2cncs2)c2ccccc21 ZINC000850371603 588540850 /nfs/dbraw/zinc/54/08/50/588540850.db2.gz LEKYNSBQOXEEKD-CHWSQXEVSA-N 0 1 246.335 2.411 20 0 BEADMN O[C@H]1C[C@H](NCc2cncs2)c2ccccc21 ZINC000850371606 588540923 /nfs/dbraw/zinc/54/09/23/588540923.db2.gz LEKYNSBQOXEEKD-STQMWFEESA-N 0 1 246.335 2.411 20 0 BEADMN FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccco1 ZINC000850377390 588542350 /nfs/dbraw/zinc/54/23/50/588542350.db2.gz FXZUBISVSRIWMN-MNOVXSKESA-N 0 1 243.253 2.184 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(C)oc1C ZINC000850410686 588544170 /nfs/dbraw/zinc/54/41/70/588544170.db2.gz SFYCHMJPYTWMKR-NEPJUHHUSA-N 0 1 209.289 2.163 20 0 BEADMN C[C@@H](O)[C@@H](NCc1ccoc1)c1ccccc1 ZINC000850419652 588544919 /nfs/dbraw/zinc/54/49/19/588544919.db2.gz GJKNNSMGIJKEFY-BXUZGUMPSA-N 0 1 231.295 2.491 20 0 BEADMN Fc1ncccc1CN[C@H]1COC2(CCC2)C1 ZINC000850465707 588548570 /nfs/dbraw/zinc/54/85/70/588548570.db2.gz DVHRUTWFQYATRF-LLVKDONJSA-N 0 1 236.290 2.022 20 0 BEADMN CCc1nc(CN[C@@H](C)C2(OC)CCC2)co1 ZINC000850472057 588548847 /nfs/dbraw/zinc/54/88/47/588548847.db2.gz DPXFXZWHQPHPCK-JTQLQIEISA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](N[C@H]1C=CCC1)c1cc2n(n1)CCC2 ZINC000850507565 588553290 /nfs/dbraw/zinc/55/32/90/588553290.db2.gz JXKNPKWHTBOGSW-MNOVXSKESA-N 0 1 217.316 2.199 20 0 BEADMN C1=C[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000850510877 588555186 /nfs/dbraw/zinc/55/51/86/588555186.db2.gz XBZREBHILUJUPI-QWHCGFSZSA-N 0 1 240.310 2.202 20 0 BEADMN CC[C@@H](N[C@H]1COC2(CCC2)C1)c1nccn1C ZINC000850526819 588557410 /nfs/dbraw/zinc/55/74/10/588557410.db2.gz XBBYSVJOOCBXKG-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ncc[nH]1 ZINC000850536523 588558918 /nfs/dbraw/zinc/55/89/18/588558918.db2.gz KUFCMBJFXDKHSM-VXNVDRBHSA-N 0 1 215.247 2.106 20 0 BEADMN O=C(OCc1c[nH]nn1)C1CC2(C1)CCCCC2 ZINC000851018040 588584486 /nfs/dbraw/zinc/58/44/86/588584486.db2.gz LBPMJSWORVDDQM-UHFFFAOYSA-N 0 1 249.314 2.208 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@]1(C)CC1(F)F)N(C)C ZINC000851258403 588598303 /nfs/dbraw/zinc/59/83/03/588598303.db2.gz LEQRNIISSQBJEN-MWLCHTKSSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C/C=C/Cl)C1CCC1 ZINC000851707563 588615524 /nfs/dbraw/zinc/61/55/24/588615524.db2.gz GICOSJGQAWMLRL-GWSCVKMXSA-N 0 1 217.696 2.067 20 0 BEADMN FC(F)OCCN1CCC[C@H](C(F)(F)F)C1 ZINC000851712759 588615968 /nfs/dbraw/zinc/61/59/68/588615968.db2.gz SRIQPLVTXPMQBW-ZETCQYMHSA-N 0 1 247.207 2.500 20 0 BEADMN CC(C)(C)CC(C)(C)NCc1cnon1 ZINC000851749170 588622602 /nfs/dbraw/zinc/62/26/02/588622602.db2.gz BRSQLHJPEGNLOQ-UHFFFAOYSA-N 0 1 211.309 2.374 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1Cc1cnon1 ZINC000851781384 588627542 /nfs/dbraw/zinc/62/75/42/588627542.db2.gz VXRCWJLSCVVUOH-CMPLNLGQSA-N 0 1 223.320 2.470 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnon1 ZINC000851848385 588634691 /nfs/dbraw/zinc/63/46/91/588634691.db2.gz JBNABTJXPNDTTF-CMPLNLGQSA-N 0 1 223.320 2.470 20 0 BEADMN FC(F)OCCN1CC[C@H](C(F)(F)F)C1 ZINC000851876656 588638007 /nfs/dbraw/zinc/63/80/07/588638007.db2.gz ZNAPVHUQJAVUDZ-LURJTMIESA-N 0 1 233.180 2.110 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@@H]3C[C@@H]32)cn1 ZINC000851877227 588638709 /nfs/dbraw/zinc/63/87/09/588638709.db2.gz FIFQEUYAHPWSCT-NEPJUHHUSA-N 0 1 219.332 2.232 20 0 BEADMN C[C@H](NCc1cnon1)C1CCCCC1 ZINC000851893434 588641274 /nfs/dbraw/zinc/64/12/74/588641274.db2.gz KMSZVEPBSLAGAY-VIFPVBQESA-N 0 1 209.293 2.128 20 0 BEADMN CCCCCN(CCCOC)Cc1cnon1 ZINC000851913572 588643353 /nfs/dbraw/zinc/64/33/53/588643353.db2.gz ZFBYNASCSHQFKH-UHFFFAOYSA-N 0 1 241.335 2.098 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cnon2)[C@H]2CCCC[C@H]12 ZINC000851919325 588643430 /nfs/dbraw/zinc/64/34/30/588643430.db2.gz IKDKQRDQUPQOQG-JLLWLGSASA-N 0 1 221.304 2.080 20 0 BEADMN OC[C@@H](NCc1nsc2ccccc21)C1CC1 ZINC000851933479 588645414 /nfs/dbraw/zinc/64/54/14/588645414.db2.gz RGLZUHVLEXZHAR-GFCCVEGCSA-N 0 1 248.351 2.157 20 0 BEADMN CN(Cc1cnon1)[C@H]1CCC(C)(C)C1 ZINC000852002469 588654324 /nfs/dbraw/zinc/65/43/24/588654324.db2.gz UZCWYYTUNRWZLE-JTQLQIEISA-N 0 1 209.293 2.080 20 0 BEADMN Cc1ccncc1CN(C)CCOC(F)F ZINC000852002074 588654464 /nfs/dbraw/zinc/65/44/64/588654464.db2.gz RZZFAGFSKMQLOI-UHFFFAOYSA-N 0 1 230.258 2.061 20 0 BEADMN CC1(C)CN(CCOC(F)F)[C@H]1[C@@H]1CCCO1 ZINC000852055738 588658174 /nfs/dbraw/zinc/65/81/74/588658174.db2.gz WKVAJKTXMQJVGS-UWVGGRQHSA-N 0 1 249.301 2.115 20 0 BEADMN CC1(C)CN(CCOC(F)F)[C@H]1[C@H]1CCCO1 ZINC000852055742 588658288 /nfs/dbraw/zinc/65/82/88/588658288.db2.gz WKVAJKTXMQJVGS-ZJUUUORDSA-N 0 1 249.301 2.115 20 0 BEADMN CN(CCC1CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000852078755 588660348 /nfs/dbraw/zinc/66/03/48/588660348.db2.gz HGCUFRZHZWPTJF-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN c1nonc1CN1CCC[C@H](c2ccccc2)C1 ZINC000852087050 588660790 /nfs/dbraw/zinc/66/07/90/588660790.db2.gz WCIRRHWCGBWLMG-ZDUSSCGKSA-N 0 1 243.310 2.449 20 0 BEADMN c1nonc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000852087049 588661058 /nfs/dbraw/zinc/66/10/58/588661058.db2.gz WCIRRHWCGBWLMG-CYBMUJFWSA-N 0 1 243.310 2.449 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@](C)(F)C2)n[nH]1 ZINC000852095860 588661694 /nfs/dbraw/zinc/66/16/94/588661694.db2.gz FPQRDTHWYRWTRX-SKDRFNHKSA-N 0 1 240.326 2.252 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@@](C)(F)C2)n[nH]1 ZINC000852095857 588661798 /nfs/dbraw/zinc/66/17/98/588661798.db2.gz FPQRDTHWYRWTRX-BXKDBHETSA-N 0 1 240.326 2.252 20 0 BEADMN COC[C@]1(C)CCN(Cc2cccc(F)n2)C1 ZINC000852111612 588664358 /nfs/dbraw/zinc/66/43/58/588664358.db2.gz IIAPPHDIGUVWHC-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN CS[C@H]1CCN(Cc2cccc(F)n2)C1 ZINC000852114329 588664709 /nfs/dbraw/zinc/66/47/09/588664709.db2.gz QVKZTYJLFDQUID-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN CO[C@@H]1CCN(Cc2cccc(F)n2)C[C@@H]1C ZINC000852136217 588665920 /nfs/dbraw/zinc/66/59/20/588665920.db2.gz VPQYPZGLGHTWAX-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN COC[C@H]1CCCCN1Cc1cccc(F)n1 ZINC000852148227 588667177 /nfs/dbraw/zinc/66/71/77/588667177.db2.gz RBTGIDVIRAINFK-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1cccc(-c2noc([C@H]3CCCCN3)n2)n1 ZINC000110473208 588671481 /nfs/dbraw/zinc/67/14/81/588671481.db2.gz LNSOXNGKBPJEIV-LLVKDONJSA-N 0 1 244.298 2.255 20 0 BEADMN CCN(Cc1cccc(F)n1)[C@H]1CCCOC1 ZINC000852211486 588672613 /nfs/dbraw/zinc/67/26/13/588672613.db2.gz LONDZERIFVITFK-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H]1CN(Cc2cnon2)CCc2ccccc21 ZINC000852213188 588672884 /nfs/dbraw/zinc/67/28/84/588672884.db2.gz HHLOJMKEUYQRPX-NSHDSACASA-N 0 1 243.310 2.231 20 0 BEADMN CN(CC[C@@H]1CC1(Cl)Cl)Cc1c[nH]cn1 ZINC000852288037 588675664 /nfs/dbraw/zinc/67/56/64/588675664.db2.gz JWUQMZCUXLHFLP-MRVPVSSYSA-N 0 1 248.157 2.425 20 0 BEADMN CN(CC[C@H]1CC1(Cl)Cl)Cc1c[nH]cn1 ZINC000852288038 588675826 /nfs/dbraw/zinc/67/58/26/588675826.db2.gz JWUQMZCUXLHFLP-QMMMGPOBSA-N 0 1 248.157 2.425 20 0 BEADMN CN(CC=C(Cl)Cl)Cc1cnc[nH]1 ZINC000852288516 588675836 /nfs/dbraw/zinc/67/58/36/588675836.db2.gz PEMKUZDFDIUZTB-UHFFFAOYSA-N 0 1 220.103 2.161 20 0 BEADMN CN(C/C=C/Cl)[C@@H](CO)Cc1ccccc1 ZINC000852289209 588676537 /nfs/dbraw/zinc/67/65/37/588676537.db2.gz LEYYDGKLYIAZIT-OQHXTRMZSA-N 0 1 239.746 2.274 20 0 BEADMN CC[C@H](C)N(CC)Cc1nccc(C)n1 ZINC000852291542 588676794 /nfs/dbraw/zinc/67/67/94/588676794.db2.gz XFAGLVSHKHDBEE-NSHDSACASA-N 0 1 207.321 2.405 20 0 BEADMN Cn1ncc(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC000852490650 588685408 /nfs/dbraw/zinc/68/54/08/588685408.db2.gz TWEZCNDZVPHNFF-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN O=C1OCC[C@H]1N1CC[C@@H](C2CCCCC2)C1 ZINC000852491303 588685586 /nfs/dbraw/zinc/68/55/86/588685586.db2.gz ZMRCNICQCQEIDJ-CHWSQXEVSA-N 0 1 237.343 2.204 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2cnon2)C1 ZINC000852592641 588692482 /nfs/dbraw/zinc/69/24/82/588692482.db2.gz UEJBXPMPBXWWKG-NXEZZACHSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@@H]1CCN(C/C=C/Cl)C[C@H](C)O1 ZINC000852588664 588692541 /nfs/dbraw/zinc/69/25/41/588692541.db2.gz JDUUUBGRXIBEKT-AEJJFCSLSA-N 0 1 203.713 2.238 20 0 BEADMN FCCN1CCC([C@H]2CCCCO2)CC1 ZINC000852594772 588692697 /nfs/dbraw/zinc/69/26/97/588692697.db2.gz NPHLLSPBGGWQLL-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN Cl/C=C(/Cl)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666765 588694447 /nfs/dbraw/zinc/69/44/47/588694447.db2.gz RUUYGQTYCZJTKC-WTZOPEKCSA-N 0 1 236.142 2.274 20 0 BEADMN Cl/C=C(\Cl)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852666763 588694648 /nfs/dbraw/zinc/69/46/48/588694648.db2.gz RUUYGQTYCZJTKC-CVETUIBESA-N 0 1 236.142 2.274 20 0 BEADMN CCn1ncc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000852672347 588695014 /nfs/dbraw/zinc/69/50/14/588695014.db2.gz CXYUXYLQWHFIEI-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN CCC(=O)CCN1CCC(c2ccon2)CC1 ZINC000852673129 588695199 /nfs/dbraw/zinc/69/51/99/588695199.db2.gz MBFOHAFYGCASFS-UHFFFAOYSA-N 0 1 236.315 2.223 20 0 BEADMN Cc1nnc(CN(C)C[Si](C)(C)C)s1 ZINC000852746128 588697297 /nfs/dbraw/zinc/69/72/97/588697297.db2.gz IVHUEVZLLODZNP-UHFFFAOYSA-N 0 1 229.425 2.156 20 0 BEADMN CN(C/C=C\Cl)CC1=CCSC1 ZINC000852747364 588698137 /nfs/dbraw/zinc/69/81/37/588698137.db2.gz FZVRFKKFOMAAGN-RQOWECAXSA-N 0 1 203.738 2.344 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)OCCN1CCC1 ZINC000861386956 589162525 /nfs/dbraw/zinc/16/25/25/589162525.db2.gz SDUHVAOOWGXSJP-STQMWFEESA-N 0 1 239.359 2.452 20 0 BEADMN C[C@@H]1CC(C(=O)OCCN2CCC2)C[C@@H](C)C1 ZINC000861389043 589162838 /nfs/dbraw/zinc/16/28/38/589162838.db2.gz WEQUGQBYFGTZQY-RYUDHWBXSA-N 0 1 239.359 2.308 20 0 BEADMN CC[C@H](CC(=O)OCCN1CCC1)C(C)C ZINC000861388604 589163014 /nfs/dbraw/zinc/16/30/14/589163014.db2.gz XMHHWKQMWMPAFN-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@@H](CC(=O)OCCN1CCC1)C(C)C ZINC000861388605 589163260 /nfs/dbraw/zinc/16/32/60/589163260.db2.gz XMHHWKQMWMPAFN-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1C[C@H]1C1CCCC1 ZINC000861389931 589163360 /nfs/dbraw/zinc/16/33/60/589163360.db2.gz CPRJVEVZEMGKOT-QWHCGFSZSA-N 0 1 237.343 2.062 20 0 BEADMN CCc1ccc(CC(=O)OCCN2CCC2)cc1 ZINC000861389752 589163781 /nfs/dbraw/zinc/16/37/81/589163781.db2.gz XFFSULYWUFXIGV-UHFFFAOYSA-N 0 1 247.338 2.040 20 0 BEADMN C[C@H]1CCC[C@@]1(C)C(=O)OCCN1CCC1 ZINC000861391059 589163997 /nfs/dbraw/zinc/16/39/97/589163997.db2.gz OZTKGZNXIPRSBB-WCQYABFASA-N 0 1 225.332 2.062 20 0 BEADMN CC1=C(C)C[C@H](C(=O)OCCN2CCC2)CC1 ZINC000861390921 589164238 /nfs/dbraw/zinc/16/42/38/589164238.db2.gz VUUUHIPEBQHNGD-CYBMUJFWSA-N 0 1 237.343 2.372 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000861390360 589164491 /nfs/dbraw/zinc/16/44/91/589164491.db2.gz DZKHEPSMDXOXCN-KGLIPLIRSA-N 0 1 245.322 2.039 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)OCCN1CCC1 ZINC000861391489 589164802 /nfs/dbraw/zinc/16/48/02/589164802.db2.gz DRZZHOAATUHWNU-CHWSQXEVSA-N 0 1 239.359 2.452 20 0 BEADMN CCN(CCc1ccccn1)Cc1cnc(C)o1 ZINC000862232106 589195805 /nfs/dbraw/zinc/19/58/05/589195805.db2.gz PGONOXDNUAHYTD-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN CC(C)C[C@@H](O)CNCc1cnc(C2CC2)o1 ZINC000862274900 589198906 /nfs/dbraw/zinc/19/89/06/589198906.db2.gz XAVPLCLMRJIDFC-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN Fc1cc(CN2CC[C@@H]2C2CC2)ccn1 ZINC000862384520 589206709 /nfs/dbraw/zinc/20/67/09/589206709.db2.gz BSXIWJRFCGXOCB-LLVKDONJSA-N 0 1 206.264 2.205 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@]3(CC3(F)F)C2)n1 ZINC000862403228 589209076 /nfs/dbraw/zinc/20/90/76/589209076.db2.gz NFWMAOCRPGWXLI-NSHDSACASA-N 0 1 241.285 2.339 20 0 BEADMN O[C@]1(c2ccccc2)CCC[N@@H+](CC2(F)CC2)C1 ZINC000862482472 589217111 /nfs/dbraw/zinc/21/71/11/589217111.db2.gz ISPZBMIOXNVFSZ-OAHLLOKOSA-N 0 1 249.329 2.472 20 0 BEADMN O[C@]1(c2ccccc2)CCCN(CC2(F)CC2)C1 ZINC000862482472 589217112 /nfs/dbraw/zinc/21/71/12/589217112.db2.gz ISPZBMIOXNVFSZ-OAHLLOKOSA-N 0 1 249.329 2.472 20 0 BEADMN CCOC(=O)C1=CC[C@H](NCc2ccc(C)o2)C1 ZINC000862487083 589217501 /nfs/dbraw/zinc/21/75/01/589217501.db2.gz LNEQUGONNKBSLZ-LBPRGKRZSA-N 0 1 249.310 2.330 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC[C@@H](CC)C2)C1 ZINC000119192710 589247959 /nfs/dbraw/zinc/24/79/59/589247959.db2.gz NKNYUVZIPNYVMM-CHWSQXEVSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC(CC)CC2)C1 ZINC000119217135 589250931 /nfs/dbraw/zinc/25/09/31/589250931.db2.gz PCOBCRHTHHOIQL-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)CCC(C)C)C1 ZINC000119239314 589252382 /nfs/dbraw/zinc/25/23/82/589252382.db2.gz QYIXMCQPTIMSBV-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1ccccc1NC(=O)C1(N(C)C)CCC1 ZINC000119288559 589263473 /nfs/dbraw/zinc/26/34/73/589263473.db2.gz CQPWZCYJIPXRRK-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN CC[C@H]1CCN(Cn2c3ccccc3oc2=O)C1 ZINC000119452229 589288216 /nfs/dbraw/zinc/28/82/16/589288216.db2.gz GECVPVMOQOBRCU-NSHDSACASA-N 0 1 246.310 2.284 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000863476026 589291713 /nfs/dbraw/zinc/29/17/13/589291713.db2.gz SRTKDCHBOZMUDL-CPCABMKFSA-N 0 1 243.734 2.314 20 0 BEADMN CCCCCCNC(=O)[C@H]1CCCCN1C ZINC000204075837 589302727 /nfs/dbraw/zinc/30/27/27/589302727.db2.gz SOFGXXKTZYCWFQ-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(O)c(C)c2)no1 ZINC000863670086 589309529 /nfs/dbraw/zinc/30/95/29/589309529.db2.gz IIWXSNYOELBWLJ-VIFPVBQESA-N 0 1 247.298 2.421 20 0 BEADMN CCN[C@H](C)c1nc(-c2cc(CC)ccn2)no1 ZINC000863673172 589309795 /nfs/dbraw/zinc/30/97/95/589309795.db2.gz PZEWVCYFPJEPTM-SECBINFHSA-N 0 1 246.314 2.365 20 0 BEADMN CCc1nnc(CN[C@H]2C[C@H](SC)C2)s1 ZINC000864052777 589335234 /nfs/dbraw/zinc/33/52/34/589335234.db2.gz AEDNFBCEKHMBAZ-ZKCHVHJHSA-N 0 1 243.401 2.084 20 0 BEADMN CC(C)=C(C)CC(=O)N1CC(N2CCCC2)C1 ZINC000864067255 589338329 /nfs/dbraw/zinc/33/83/29/589338329.db2.gz HJAAQOAGVDHQKW-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)Oc1ccc(Cn2ccnc2CN)cc1 ZINC000864619393 589383924 /nfs/dbraw/zinc/38/39/24/589383924.db2.gz DKXJUHVZOVMSBS-UHFFFAOYSA-N 0 1 245.326 2.177 20 0 BEADMN CC(C)N(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864777073 589393955 /nfs/dbraw/zinc/39/39/55/589393955.db2.gz FGDFNQNRXDUDRE-UHFFFAOYSA-N 0 1 241.722 2.421 20 0 BEADMN CCN1C(=O)N=NC1SCCCC1CC1 ZINC000865346153 589422987 /nfs/dbraw/zinc/42/29/87/589422987.db2.gz JPRXEKXQQXPHFF-UHFFFAOYSA-N 0 1 227.333 2.286 20 0 BEADMN Brc1ncccc1CNC1CC1 ZINC000865397510 589432071 /nfs/dbraw/zinc/43/20/71/589432071.db2.gz GQWSMRVGPANDOO-UHFFFAOYSA-N 0 1 227.105 2.096 20 0 BEADMN FC(F)(F)c1cnccc1N1CCCOCC1 ZINC000865480759 589439857 /nfs/dbraw/zinc/43/98/57/589439857.db2.gz QFIVAPXHRCQABV-UHFFFAOYSA-N 0 1 246.232 2.327 20 0 BEADMN FC1(F)CC[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865494092 589441258 /nfs/dbraw/zinc/44/12/58/589441258.db2.gz QQTRGGYHXAOYDG-SECBINFHSA-N 0 1 241.285 2.495 20 0 BEADMN CC[C@H](CO)NCc1c(Cl)cncc1Cl ZINC000865521167 589442891 /nfs/dbraw/zinc/44/28/91/589442891.db2.gz MZDVPJXPYJPMGD-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN CC[C@@H](CCO)Nc1ccncc1C(F)(F)F ZINC000865555179 589446293 /nfs/dbraw/zinc/44/62/93/589446293.db2.gz WBZWMICHCDHOAM-QMMMGPOBSA-N 0 1 248.248 2.095 20 0 BEADMN FC(F)(F)c1cnccc1N[C@@H]1CCSC1 ZINC000865565230 589446771 /nfs/dbraw/zinc/44/67/71/589446771.db2.gz KCDQNUBNJZWBJV-SSDOTTSWSA-N 0 1 248.273 2.440 20 0 BEADMN CC(F)(F)CCNCc1cn(C2CC2)cn1 ZINC000865583552 589449177 /nfs/dbraw/zinc/44/91/77/589449177.db2.gz WANAXIISWPNGOX-UHFFFAOYSA-N 0 1 229.274 2.353 20 0 BEADMN CC[C@](C)(CNCc1cn(C2CC2)cn1)OC ZINC000865588201 589449264 /nfs/dbraw/zinc/44/92/64/589449264.db2.gz YDZFPPUIEQGTLC-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN CCc1csc(N2CCN(C)[C@@H](C)[C@H]2C)n1 ZINC000865654582 589454626 /nfs/dbraw/zinc/45/46/26/589454626.db2.gz RCNVGOXWMRZFDO-VHSXEESVSA-N 0 1 239.388 2.234 20 0 BEADMN C[C@H](C[C@H](C)O)Nc1ccncc1C(F)(F)F ZINC000865669862 589455439 /nfs/dbraw/zinc/45/54/39/589455439.db2.gz LQIDWLASXWNDHX-SFYZADRCSA-N 0 1 248.248 2.094 20 0 BEADMN FC1CN(c2ccncc2C(F)(F)F)C1 ZINC000865671620 589455518 /nfs/dbraw/zinc/45/55/18/589455518.db2.gz HBDYOXPTRRNEFV-UHFFFAOYSA-N 0 1 220.169 2.259 20 0 BEADMN Nc1ncc(CN[C@@H]2CCCC[C@@H]2F)s1 ZINC000865699333 589457059 /nfs/dbraw/zinc/45/70/59/589457059.db2.gz PRURPFUIWXMYSO-DTWKUNHWSA-N 0 1 229.324 2.096 20 0 BEADMN CCn1nccc1CN[C@@H]1CCCC[C@@H]1F ZINC000865699336 589457241 /nfs/dbraw/zinc/45/72/41/589457241.db2.gz PVDRUPYPDJXOQN-NWDGAFQWSA-N 0 1 225.311 2.273 20 0 BEADMN Cc1nc(F)ccc1CN[C@@H](C)c1ccnn1C ZINC000865837835 589463999 /nfs/dbraw/zinc/46/39/99/589463999.db2.gz BZTMCBIFYSLTMG-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN Fc1cc(CN[C@@H]2CCCn3nccc32)ccn1 ZINC000865871712 589466209 /nfs/dbraw/zinc/46/62/09/589466209.db2.gz KSMJFIBWLLRYKG-LLVKDONJSA-N 0 1 246.289 2.042 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1C ZINC000866451891 589494203 /nfs/dbraw/zinc/49/42/03/589494203.db2.gz QMLCGGCLNDIOBE-OUAUKWLOSA-N 0 1 225.311 2.351 20 0 BEADMN Fc1cc(CN[C@H]2CCCc3n[nH]cc32)ccn1 ZINC000866474850 589494911 /nfs/dbraw/zinc/49/49/11/589494911.db2.gz OMDBXPZCAAEPPZ-NSHDSACASA-N 0 1 246.289 2.111 20 0 BEADMN Cc1cccc(C)c1CNC(=O)[C@@H]1CCCN1C ZINC000122155841 589557835 /nfs/dbraw/zinc/55/78/35/589557835.db2.gz OMWYSIGWYBRZGD-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CC(C)ONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000868658889 589570878 /nfs/dbraw/zinc/57/08/78/589570878.db2.gz MFTVTTYWHJKXFV-NSHDSACASA-N 0 1 239.702 2.436 20 0 BEADMN CC/C=C(\F)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000868752184 589575311 /nfs/dbraw/zinc/57/53/11/589575311.db2.gz MEGNOCBKUBVTIP-RMCZBGCRSA-N 0 1 242.338 2.193 20 0 BEADMN CC/C=C(\F)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000869072800 589585921 /nfs/dbraw/zinc/58/59/21/589585921.db2.gz RZCKPNGOUHBOIN-RMCZBGCRSA-N 0 1 242.338 2.193 20 0 BEADMN CC(C)[C@H](C(=O)OCCCC1CC1)N(C)C ZINC000869501656 589610323 /nfs/dbraw/zinc/61/03/23/589610323.db2.gz YLMIAJUUTPFWAK-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1[nH]ncc1CNc1cccc(Cl)n1 ZINC000122912391 589643541 /nfs/dbraw/zinc/64/35/41/589643541.db2.gz LNHBOVVSKNSAQR-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CS[C@H]1C[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000870579415 589677829 /nfs/dbraw/zinc/67/78/29/589677829.db2.gz IIECKDWQPYERNZ-AXFHLTTASA-N 0 1 245.388 2.010 20 0 BEADMN NCc1nccn1Cc1cc(C(F)(F)F)co1 ZINC000871674907 589788489 /nfs/dbraw/zinc/78/84/89/589788489.db2.gz LTQUIUFBPNAWBU-UHFFFAOYSA-N 0 1 245.204 2.002 20 0 BEADMN CCC1=NN(c2nc3ccccc3o2)C(=O)[C@H]1F ZINC000871941418 589835571 /nfs/dbraw/zinc/83/55/71/589835571.db2.gz RFPIDWFRZQKOPS-JTQLQIEISA-N 0 1 247.229 2.279 20 0 BEADMN COc1ccc(C2=NN(C3CCC3)C(=O)C2)cc1 ZINC000871943143 589837043 /nfs/dbraw/zinc/83/70/43/589837043.db2.gz ZUWBTJLYOFWPHQ-UHFFFAOYSA-N 0 1 244.294 2.184 20 0 BEADMN O=C1[C@H]2CCCCCCC2=NN1c1cnccn1 ZINC000871943715 589837666 /nfs/dbraw/zinc/83/76/66/589837666.db2.gz QPSWCHBJJSEGES-JTQLQIEISA-N 0 1 244.298 2.150 20 0 BEADMN CC1(C)CC[C@H]2C(=O)N(c3ccncn3)N=C2C1 ZINC000871948969 589839307 /nfs/dbraw/zinc/83/93/07/589839307.db2.gz JXTYZWOPAXAXNO-SECBINFHSA-N 0 1 244.298 2.006 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3cccnc3Cl)[nH]c21 ZINC000871952782 589841696 /nfs/dbraw/zinc/84/16/96/589841696.db2.gz OTAZSXGIBIDWGZ-SFYZADRCSA-N 0 1 249.701 2.484 20 0 BEADMN CC1(C)CC[C@@H]2C(=O)N(c3cccnn3)N=C2C1 ZINC000871953411 589841782 /nfs/dbraw/zinc/84/17/82/589841782.db2.gz ORSQVXNICIXVFC-VIFPVBQESA-N 0 1 244.298 2.006 20 0 BEADMN C[C@H]1CCC2=NN(c3cccc(F)n3)C(=O)[C@H]2C1 ZINC000871952968 589841822 /nfs/dbraw/zinc/84/18/22/589841822.db2.gz WOSISEOSWCYNMC-IUCAKERBSA-N 0 1 247.273 2.360 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccc(Cl)nc1 ZINC000871955141 589842169 /nfs/dbraw/zinc/84/21/69/589842169.db2.gz WMNJTDBLKYGSPC-MRVPVSSYSA-N 0 1 235.674 2.238 20 0 BEADMN O=c1c2c([nH]n1-c1ccc(Cl)nc1)CCC2 ZINC000871955141 589842173 /nfs/dbraw/zinc/84/21/73/589842173.db2.gz WMNJTDBLKYGSPC-MRVPVSSYSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccc(Cl)nc3)[nH]c21 ZINC000871955376 589842710 /nfs/dbraw/zinc/84/27/10/589842710.db2.gz YVDKNZZSXQNMRV-VXNVDRBHSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1cccnc1N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000871955294 589842810 /nfs/dbraw/zinc/84/28/10/589842810.db2.gz MLLNELWBNQAKSB-SCZZXKLOSA-N 0 1 229.283 2.139 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccc(Cl)nc3)[nH]c21 ZINC000871955372 589842845 /nfs/dbraw/zinc/84/28/45/589842845.db2.gz YVDKNZZSXQNMRV-APPZFPTMSA-N 0 1 249.701 2.484 20 0 BEADMN COCCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871959191 589844787 /nfs/dbraw/zinc/84/47/87/589844787.db2.gz KXDRXRORTXYVPX-SNVBAGLBSA-N 0 1 238.331 2.047 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1C12CC(C1)C2 ZINC000871960090 589845687 /nfs/dbraw/zinc/84/56/87/589845687.db2.gz TVWOXGMONXGNPF-UHFFFAOYSA-N 0 1 218.300 2.317 20 0 BEADMN C[C@@H](NC[C@@H]1CCCO1)c1cc(O)ccc1F ZINC000872016751 589855445 /nfs/dbraw/zinc/85/54/45/589855445.db2.gz ORUFSGPXRWFEJB-KOLCDFICSA-N 0 1 239.290 2.361 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1cccc(O)c1F ZINC000872016276 589856053 /nfs/dbraw/zinc/85/60/53/589856053.db2.gz HHPDZOYZSWANSW-BDAKNGLRSA-N 0 1 227.279 2.217 20 0 BEADMN COC[C@H](C)N[C@H](C)c1cccc(O)c1F ZINC000872016277 589856370 /nfs/dbraw/zinc/85/63/70/589856370.db2.gz HHPDZOYZSWANSW-DTWKUNHWSA-N 0 1 227.279 2.217 20 0 BEADMN CCOCCN[C@H](C)c1cccc(O)c1F ZINC000872025375 589857074 /nfs/dbraw/zinc/85/70/74/589857074.db2.gz LTXKKPRZMJBMFW-SECBINFHSA-N 0 1 227.279 2.218 20 0 BEADMN C[C@H](NCCn1cccn1)c1cccc(O)c1F ZINC000872045766 589860006 /nfs/dbraw/zinc/86/00/06/589860006.db2.gz BFFARCFTGVQIOU-JTQLQIEISA-N 0 1 249.289 2.079 20 0 BEADMN C[C@H](NCCn1cccn1)c1cc(O)ccc1F ZINC000872046472 589860323 /nfs/dbraw/zinc/86/03/23/589860323.db2.gz IMDRVXUGOQVJMY-JTQLQIEISA-N 0 1 249.289 2.079 20 0 BEADMN CCc1nc(CN[C@@H]2CCOC(C)(C)C2)co1 ZINC000872075214 589865010 /nfs/dbraw/zinc/86/50/10/589865010.db2.gz AIQHHQZMPDKURH-SNVBAGLBSA-N 0 1 238.331 2.284 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCCC1CC1 ZINC000872160224 589886106 /nfs/dbraw/zinc/88/61/06/589886106.db2.gz AXJRDQKFQLVFNY-CYBMUJFWSA-N 0 1 249.310 2.454 20 0 BEADMN O=C([O-])C[N@@H+](CCCC1CC1)C1CCC1 ZINC000872162398 589887062 /nfs/dbraw/zinc/88/70/62/589887062.db2.gz PUXHIXLEHQDSHR-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H](C)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872169195 589887414 /nfs/dbraw/zinc/88/74/14/589887414.db2.gz IXRWXAKJUIDQAB-JFGNBEQYSA-N 0 1 211.305 2.114 20 0 BEADMN CCCN(CN1CCC2(CCC2)C1=O)C1CC1 ZINC000872577053 589953831 /nfs/dbraw/zinc/95/38/31/589953831.db2.gz XFXWZCNDUZPEAG-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN O=C1N(CN2CCCC3(CC3)C2)CCC12CCC2 ZINC000872598907 589954864 /nfs/dbraw/zinc/95/48/64/589954864.db2.gz ZSDAIPFVIFZPHI-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN CC1(C)CCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872587856 589955172 /nfs/dbraw/zinc/95/51/72/589955172.db2.gz XHHKIOQBJUWOCT-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CC1=C(C)CN(CN2CCC3(CCC3)C2=O)CC1 ZINC000872602884 589956061 /nfs/dbraw/zinc/95/60/61/589956061.db2.gz IOJPMGIELPXXPS-UHFFFAOYSA-N 0 1 248.370 2.389 20 0 BEADMN Clc1cnn(CN2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000872712178 589964441 /nfs/dbraw/zinc/96/44/41/589964441.db2.gz JVVXSJITEIECEP-PHIMTYICSA-N 0 1 237.734 2.392 20 0 BEADMN Clc1ccc(CCNCc2ccon2)cn1 ZINC000873079662 589983738 /nfs/dbraw/zinc/98/37/38/589983738.db2.gz YALIADCTZJKQAE-UHFFFAOYSA-N 0 1 237.690 2.055 20 0 BEADMN FCC(CF)N[C@@H]1CCOC2(CCCC2)C1 ZINC000873128723 589984709 /nfs/dbraw/zinc/98/47/09/589984709.db2.gz BEHFRSQNAHYTBN-SNVBAGLBSA-N 0 1 233.302 2.375 20 0 BEADMN COc1nccnc1CNCCC[C@@H]1C=CCC1 ZINC000873154018 589987496 /nfs/dbraw/zinc/98/74/96/589987496.db2.gz OVMKTVAENOJXMO-GFCCVEGCSA-N 0 1 247.342 2.321 20 0 BEADMN c1nc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)cs1 ZINC000873157258 589988559 /nfs/dbraw/zinc/98/85/59/589988559.db2.gz VDVDLZNJUFBSFG-ZMLRMANQSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H](C)COC(C)C ZINC000873186779 589990604 /nfs/dbraw/zinc/99/06/04/589990604.db2.gz FREJDFGEFYSWSB-JQWIXIFHSA-N 0 1 237.347 2.249 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CCNC[C@H]1C ZINC000124489757 590031764 /nfs/dbraw/zinc/03/17/64/590031764.db2.gz NRRYEYWIIMSWLD-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(=O)[C@@H](C)OC(=O)c1c2cn[nH]c2ccc1C ZINC000873488200 590049263 /nfs/dbraw/zinc/04/92/63/590049263.db2.gz HAKMYSSWIXIZLW-SECBINFHSA-N 0 1 246.266 2.006 20 0 BEADMN CC/C=C(\F)C(=O)NCCCc1cn[nH]c1C ZINC000873993848 590083937 /nfs/dbraw/zinc/08/39/37/590083937.db2.gz WGJHWGADIIDFEH-WZUFQYTHSA-N 0 1 239.294 2.030 20 0 BEADMN C[C@@H]1CN(C(=O)CN2CCCC2)c2ccccc21 ZINC000874055083 590089178 /nfs/dbraw/zinc/08/91/78/590089178.db2.gz MCCLLOUHQIMSSN-GFCCVEGCSA-N 0 1 244.338 2.233 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)CN2CCCC2)c1 ZINC000874110890 590092509 /nfs/dbraw/zinc/09/25/09/590092509.db2.gz HKVKIRPRBLEBCR-UHFFFAOYSA-N 0 1 246.354 2.362 20 0 BEADMN CCC[C@@H](CC)C(=O)Nc1nc(SC)n[nH]1 ZINC000874254445 590099944 /nfs/dbraw/zinc/09/99/44/590099944.db2.gz TYFFFJCVUIKLLU-SSDOTTSWSA-N 0 1 242.348 2.291 20 0 BEADMN CC1CCC(C)(NC(=O)CN2CCCC2)CC1 ZINC000874265021 590101312 /nfs/dbraw/zinc/10/13/12/590101312.db2.gz NTFKPJIMCKKBOF-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN O=C(CN1CCCC1)Nc1cccc2[nH]ccc21 ZINC000874272198 590101379 /nfs/dbraw/zinc/10/13/79/590101379.db2.gz JZKISFNPZVAHRG-UHFFFAOYSA-N 0 1 243.310 2.202 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(CCC)CC1 ZINC000874340335 590104996 /nfs/dbraw/zinc/10/49/96/590104996.db2.gz RJKJSZLBQXRTJM-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000125828646 590191741 /nfs/dbraw/zinc/19/17/41/590191741.db2.gz DDVDOISKMFGMQI-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN COc1cnc(F)c(CN(C)CC(C)C)c1 ZINC000876564892 590216350 /nfs/dbraw/zinc/21/63/50/590216350.db2.gz WXNMRNXCTSCQLF-UHFFFAOYSA-N 0 1 226.295 2.317 20 0 BEADMN CCCn1cc(CN(CC(C)C)C2CC2)nn1 ZINC000876597123 590220023 /nfs/dbraw/zinc/22/00/23/590220023.db2.gz GNAJEQYJMOSQBT-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](C)[C@H]2C)nn1 ZINC000876656733 590226668 /nfs/dbraw/zinc/22/66/68/590226668.db2.gz GWUFSKBLSMHXPG-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN2C[C@H](C)C[C@@H]2CC)nn1 ZINC000876747868 590237163 /nfs/dbraw/zinc/23/71/63/590237163.db2.gz OSBQCFUQTRCENK-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000876751081 590238178 /nfs/dbraw/zinc/23/81/78/590238178.db2.gz UKAMAVSIZVTUJQ-SNVBAGLBSA-N 0 1 242.269 2.240 20 0 BEADMN Clc1csc(CNC2CCOCC2)n1 ZINC000876947780 590259890 /nfs/dbraw/zinc/25/98/90/590259890.db2.gz BIFDMQYKWOVXRP-UHFFFAOYSA-N 0 1 232.736 2.065 20 0 BEADMN C[C@H](O)c1ccc(CNCc2ccns2)cc1 ZINC000876968765 590262497 /nfs/dbraw/zinc/26/24/97/590262497.db2.gz TUFDAWKJWWNZGZ-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN CC(C)C[C@H](O)CNCc1nc2ccccc2o1 ZINC000876988121 590265890 /nfs/dbraw/zinc/26/58/90/590265890.db2.gz VKBJRZTVKZSZEU-NSHDSACASA-N 0 1 248.326 2.324 20 0 BEADMN CCOC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000877020194 590269674 /nfs/dbraw/zinc/26/96/74/590269674.db2.gz ZESPLARGQJFZLD-SECBINFHSA-N 0 1 224.304 2.067 20 0 BEADMN CC(C)[C@@](C)(O)CNCc1nc(Cl)cs1 ZINC000877043546 590273976 /nfs/dbraw/zinc/27/39/76/590273976.db2.gz LZKBNRSAOUGVFL-JTQLQIEISA-N 0 1 248.779 2.293 20 0 BEADMN COc1cnc(F)c(CN[C@@H](C)CSC)c1 ZINC000877051948 590274668 /nfs/dbraw/zinc/27/46/68/590274668.db2.gz OPMBAGRGMMOERL-QMMMGPOBSA-N 0 1 244.335 2.070 20 0 BEADMN FC1(F)CC[C@@H](NCc2ccc(Cl)nn2)C1 ZINC000877105588 590285044 /nfs/dbraw/zinc/28/50/44/590285044.db2.gz PQYBZMJTENINSZ-SSDOTTSWSA-N 0 1 247.676 2.407 20 0 BEADMN CC1=C(C)C[C@@H]([C@H](C)NCc2ncn(C)n2)CC1 ZINC000877120492 590288743 /nfs/dbraw/zinc/28/87/43/590288743.db2.gz SXJPELDCMUEFOK-STQMWFEESA-N 0 1 248.374 2.430 20 0 BEADMN C[C@H](NCc1ccns1)c1ccc[nH]1 ZINC000877124547 590289500 /nfs/dbraw/zinc/28/95/00/590289500.db2.gz NVPGKKYPVPOIMC-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN COc1cc(CN[C@H](C)c2ccc[nH]2)sn1 ZINC000877124633 590289515 /nfs/dbraw/zinc/28/95/15/590289515.db2.gz OZKOBHMJRXSIBF-MRVPVSSYSA-N 0 1 237.328 2.331 20 0 BEADMN C[C@H](O)C(C)(C)NCc1nc(Cl)cs1 ZINC000877126997 590290092 /nfs/dbraw/zinc/29/00/92/590290092.db2.gz YDKPIESYADRIMT-LURJTMIESA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H]1CCC[N@H+]1CCNCc1cc(C2CC2)no1 ZINC000877153975 590293281 /nfs/dbraw/zinc/29/32/81/590293281.db2.gz LKMIMCRBJHMCNR-NSHDSACASA-N 0 1 249.358 2.126 20 0 BEADMN C[C@@]1(NCc2nc(Cl)cs2)CCCOC1 ZINC000877163390 590294360 /nfs/dbraw/zinc/29/43/60/590294360.db2.gz QITUBEVSRQAIPP-SNVBAGLBSA-N 0 1 246.763 2.455 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1nc(Cl)cs1 ZINC000877307300 590308558 /nfs/dbraw/zinc/30/85/58/590308558.db2.gz FQVPSEORVKMLRE-XVKPBYJWSA-N 0 1 246.763 2.454 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C)[C@H]2CC)nn1 ZINC000877413014 590324512 /nfs/dbraw/zinc/32/45/12/590324512.db2.gz CJSCBQQIOVYFKU-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN2CC3(CCC3)C[C@H]2C)nn1 ZINC000877479583 590337409 /nfs/dbraw/zinc/33/74/09/590337409.db2.gz WIVGHCJFCDDGII-GFCCVEGCSA-N 0 1 248.374 2.453 20 0 BEADMN CC[C@H](CNCc1nc(Cl)cs1)OC ZINC000877540496 590350600 /nfs/dbraw/zinc/35/06/00/590350600.db2.gz AKKNHXICABKXJP-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc(Cl)cs1 ZINC000877542135 590351904 /nfs/dbraw/zinc/35/19/04/590351904.db2.gz WHAHRAWDZQVHRQ-RQJHMYQMSA-N 0 1 234.752 2.310 20 0 BEADMN FCC(CF)NCC1CCSCC1 ZINC000877556129 590355992 /nfs/dbraw/zinc/35/59/92/590355992.db2.gz MXCXBFNHIASLQD-UHFFFAOYSA-N 0 1 209.305 2.027 20 0 BEADMN FCC(CF)N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000877555902 590356583 /nfs/dbraw/zinc/35/65/83/590356583.db2.gz GMFZOVHTRCAAPZ-SRVKXCTJSA-N 0 1 245.313 2.231 20 0 BEADMN COc1cccc(C)c1CN1CC2(C1)CCOC2 ZINC000877554772 590356644 /nfs/dbraw/zinc/35/66/44/590356644.db2.gz OJRNGYSTRXLNGG-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CCC[C@H](CNCc1ccc(Cl)nn1)OC ZINC000877556305 590357693 /nfs/dbraw/zinc/35/76/93/590357693.db2.gz OVZAAXBDLZWUKB-SNVBAGLBSA-N 0 1 243.738 2.035 20 0 BEADMN Cc1noc(C2CN(CC3(C(C)C)CC3)C2)n1 ZINC000877580346 590364502 /nfs/dbraw/zinc/36/45/02/590364502.db2.gz RPNJPBMTPHLGGK-UHFFFAOYSA-N 0 1 235.331 2.213 20 0 BEADMN Cc1nc2ccccc2nc1CNC1CSC1 ZINC000877634311 590379927 /nfs/dbraw/zinc/37/99/27/590379927.db2.gz HWJGUUZBJSWSAI-UHFFFAOYSA-N 0 1 245.351 2.143 20 0 BEADMN c1nc(C2CC2)sc1CNC1CSC1 ZINC000877634292 590380144 /nfs/dbraw/zinc/38/01/44/590380144.db2.gz HLUSJTQYFOGBLX-UHFFFAOYSA-N 0 1 226.370 2.226 20 0 BEADMN C[C@@H](NC[C@@H]1CC1(Cl)Cl)c1nccn1C ZINC000877639542 590381912 /nfs/dbraw/zinc/38/19/12/590381912.db2.gz ASQXNNJXTMKTBE-SFYZADRCSA-N 0 1 248.157 2.265 20 0 BEADMN Cc1cc(CN2CCC(CCF)CC2)n(C)n1 ZINC000877674132 590386012 /nfs/dbraw/zinc/38/60/12/590386012.db2.gz NAYSTWWTHDNXLX-UHFFFAOYSA-N 0 1 239.338 2.300 20 0 BEADMN CC1(NCc2ccc3c(c2)CC(C)(C)O3)COC1 ZINC000877691740 590392377 /nfs/dbraw/zinc/39/23/77/590392377.db2.gz UXPPQGXGSDVTOR-UHFFFAOYSA-N 0 1 247.338 2.279 20 0 BEADMN CC1(NCc2cncc3ccccc32)COC1 ZINC000877690552 590393447 /nfs/dbraw/zinc/39/34/47/590393447.db2.gz AJTRNLMGEYLQSI-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN Cc1ncc(CNC(C)(C)[C@H]2CCCCO2)o1 ZINC000877702484 590396491 /nfs/dbraw/zinc/39/64/91/590396491.db2.gz UTXHYKDJRMJSKK-GFCCVEGCSA-N 0 1 238.331 2.420 20 0 BEADMN COC(=O)/C=C/c1ccc(CN2CC(C)(C)C2)o1 ZINC000877718063 590399316 /nfs/dbraw/zinc/39/93/16/590399316.db2.gz WGHCULBBEBVMDQ-VOTSOKGWSA-N 0 1 249.310 2.308 20 0 BEADMN Cc1ncc(CN2C[C@@H](O)CC(C)(C)C2)s1 ZINC000877753031 590416686 /nfs/dbraw/zinc/41/66/86/590416686.db2.gz LNCXQUHMLDDLKC-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN Cc1ncc(CNCC[C@H](O)C2CCCC2)o1 ZINC000877778220 590422533 /nfs/dbraw/zinc/42/25/33/590422533.db2.gz KJTMFVANZHGMAK-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN CC[C@@H](C[C@@H](C)O)NCc1nc2ccccc2o1 ZINC000877778162 590423089 /nfs/dbraw/zinc/42/30/89/590423089.db2.gz KVMBJDMWNGFBSZ-MNOVXSKESA-N 0 1 248.326 2.467 20 0 BEADMN Cn1cc(CN2CC[C@@](C)(C(F)(F)F)C2)cn1 ZINC000877814648 590427230 /nfs/dbraw/zinc/42/72/30/590427230.db2.gz WDYAKFUJTGTVPY-SNVBAGLBSA-N 0 1 247.264 2.194 20 0 BEADMN Cc1nnc(CCn2c(C)nc3c2CCCC3)o1 ZINC000877883698 590438212 /nfs/dbraw/zinc/43/82/12/590438212.db2.gz SNPMQYUJMBGBFC-UHFFFAOYSA-N 0 1 246.314 2.004 20 0 BEADMN CC1(C)CC[C@H](CN2CCOC(C)(C)C2)OC1 ZINC000877897379 590441478 /nfs/dbraw/zinc/44/14/78/590441478.db2.gz IWWJOEWCWPRMTG-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000877899272 590442311 /nfs/dbraw/zinc/44/23/11/590442311.db2.gz ZSFGFYGVEVMDIK-NEPJUHHUSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)C[C@H](C)O1 ZINC000877901884 590443412 /nfs/dbraw/zinc/44/34/12/590443412.db2.gz YPUZRIPQONZCOM-XQQFMLRXSA-N 0 1 241.375 2.443 20 0 BEADMN O=C(CN1CCCCCCC1)Nc1ccccn1 ZINC000877902820 590443870 /nfs/dbraw/zinc/44/38/70/590443870.db2.gz WEYLQRKNXFGQNH-UHFFFAOYSA-N 0 1 247.342 2.286 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCCCC1 ZINC000877908877 590444963 /nfs/dbraw/zinc/44/49/63/590444963.db2.gz ZHMIURDLOHBNGS-GXFFZTMASA-N 0 1 247.342 2.088 20 0 BEADMN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C)o2)C1 ZINC000877933827 590450788 /nfs/dbraw/zinc/45/07/88/590450788.db2.gz SDESUVJYTYMOKW-BJHJDKERSA-N 0 1 223.316 2.445 20 0 BEADMN CCN(CCCS(=O)(=O)C(C)(C)C)C1CC1 ZINC000877954656 590456567 /nfs/dbraw/zinc/45/65/67/590456567.db2.gz NBKPLCXMALLPGO-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCO1 ZINC000877956879 590457281 /nfs/dbraw/zinc/45/72/81/590457281.db2.gz BSVGRHPBFXDTIK-RFQIPJPRSA-N 0 1 239.359 2.055 20 0 BEADMN CCC(=O)N1CCC[N@@H+](CCCC2CC2)CC1 ZINC000877983559 590466040 /nfs/dbraw/zinc/46/60/40/590466040.db2.gz QLLZVJAFZAUDLS-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC1(C)COCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000877995516 590469159 /nfs/dbraw/zinc/46/91/59/590469159.db2.gz HZZHCCFHARHXKY-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN CC1(C)CCC[C@H](C[N@H+]2CCCOCC2)O1 ZINC000878015099 590472223 /nfs/dbraw/zinc/47/22/23/590472223.db2.gz WJKDTOOACNDOEE-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CCN(CC(=O)Nc1ncccc1C)CC1CC1 ZINC000878097936 590492904 /nfs/dbraw/zinc/49/29/04/590492904.db2.gz QGQZLTRWNVEMFE-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000878109451 590496510 /nfs/dbraw/zinc/49/65/10/590496510.db2.gz UQXQACRTWSXKNM-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1cccnc1NC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000878163729 590511127 /nfs/dbraw/zinc/51/11/27/590511127.db2.gz BOKWRENYVXOOBN-PWSUYJOCSA-N 0 1 247.342 2.059 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2CC3(CCC3)CO2)[C@H]1C ZINC000878198461 590522771 /nfs/dbraw/zinc/52/27/71/590522771.db2.gz WSUULVZGPFCYPI-RWMBFGLXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CCC(C)(C)CO1 ZINC000878198124 590522779 /nfs/dbraw/zinc/52/27/79/590522779.db2.gz SRYMSDKWMZKWIP-AGIUHOORSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CC2(CCC2)CO1 ZINC000878198458 590523473 /nfs/dbraw/zinc/52/34/73/590523473.db2.gz WSUULVZGPFCYPI-AGIUHOORSA-N 0 1 239.359 2.055 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@H]1CCC(C)(C)CO1 ZINC000878263502 590530352 /nfs/dbraw/zinc/53/03/52/590530352.db2.gz LXPBMEKPIQEBSO-GFCCVEGCSA-N 0 1 237.347 2.047 20 0 BEADMN COCC1(C)CCN(Cc2nocc2C)CC1 ZINC000878344039 590552878 /nfs/dbraw/zinc/55/28/78/590552878.db2.gz QGVBZVIFIKAADF-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000878347626 590553363 /nfs/dbraw/zinc/55/33/63/590553363.db2.gz OTHMWRJIGYCNSE-GWCFXTLKSA-N 0 1 249.358 2.333 20 0 BEADMN FC(F)(F)OCCCN1CC=CCC1 ZINC000878385517 590557742 /nfs/dbraw/zinc/55/77/42/590557742.db2.gz ZPWOBBJXEFSTDL-UHFFFAOYSA-N 0 1 209.211 2.175 20 0 BEADMN C(CC1CC1)CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000878606490 590594777 /nfs/dbraw/zinc/59/47/77/590594777.db2.gz PRZNTEOCAVILKZ-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN C=C/C=C\CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000878645350 590600264 /nfs/dbraw/zinc/60/02/64/590600264.db2.gz JVLFGJCSPOPFRG-ZADCQDASSA-N 0 1 223.316 2.145 20 0 BEADMN CCC(F)(F)CN1CCC2(CC1)OCCCO2 ZINC000878652645 590602601 /nfs/dbraw/zinc/60/26/01/590602601.db2.gz SIKBGJGGWSEFAN-UHFFFAOYSA-N 0 1 249.301 2.261 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878668176 590606931 /nfs/dbraw/zinc/60/69/31/590606931.db2.gz NTZSSPAXIZQTEP-VHDGCEQUSA-N 0 1 246.354 2.471 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2nocc2C)C1(C)C ZINC000878671263 590607243 /nfs/dbraw/zinc/60/72/43/590607243.db2.gz DSZQMIXISMVCKV-WCQYABFASA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1nocc1C)C1CC1 ZINC000878708985 590613642 /nfs/dbraw/zinc/61/36/42/590613642.db2.gz CMDFBRGVKVIWJN-GWCFXTLKSA-N 0 1 238.331 2.276 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(C/C=C/Cl)C[C@@H]1C ZINC000878836795 590629781 /nfs/dbraw/zinc/62/97/81/590629781.db2.gz KWMGBFDBJNJFNN-SKUMGHAQSA-N 0 1 216.756 2.153 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cnc[nH]1 ZINC000878907883 590645524 /nfs/dbraw/zinc/64/55/24/590645524.db2.gz RJIWCVUNGJAZFI-MFKMUULPSA-N 0 1 235.331 2.242 20 0 BEADMN Cc1nnc(NC(=O)CC(C)(C)CC(F)F)[nH]1 ZINC000878929465 590654244 /nfs/dbraw/zinc/65/42/44/590654244.db2.gz IDJOWMNRCVOOPA-UHFFFAOYSA-N 0 1 246.261 2.123 20 0 BEADMN Cc1nc(CN2CC3CC2(C)C3)[nH]c1C ZINC000879009185 590677360 /nfs/dbraw/zinc/67/73/60/590677360.db2.gz QUMPJCQNOSVRQL-UHFFFAOYSA-N 0 1 205.305 2.011 20 0 BEADMN C[C@H]1CCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879024767 590679491 /nfs/dbraw/zinc/67/94/91/590679491.db2.gz ONPRBISCAWOSHB-GBIKHYSHSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1coc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000879193142 590712277 /nfs/dbraw/zinc/71/22/77/590712277.db2.gz YTKVSEIGQIKTLK-JTQLQIEISA-N 0 1 245.282 2.119 20 0 BEADMN CCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879234894 590719924 /nfs/dbraw/zinc/71/99/24/590719924.db2.gz FOEJINJFRSZXCG-UHFFFAOYSA-N 0 1 218.300 2.023 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@@]12C[C@@H]1CCCC2 ZINC000879264811 590724978 /nfs/dbraw/zinc/72/49/78/590724978.db2.gz ARUIPPAJBLERPU-COPLHBTASA-N 0 1 246.358 2.117 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2ccnc(F)c2)C1 ZINC000879325209 590746133 /nfs/dbraw/zinc/74/61/33/590746133.db2.gz JDTNMVCOCDRRMG-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2ccncc2F)C1 ZINC000879327213 590748305 /nfs/dbraw/zinc/74/83/05/590748305.db2.gz VMXIQXLGDKPHQI-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@@H](C2CCC2)CC1 ZINC000879426658 590765919 /nfs/dbraw/zinc/76/59/19/590765919.db2.gz OGHJJCYTTRBLPE-OLZOCXBDSA-N 0 1 237.343 2.204 20 0 BEADMN O=C1OCC[C@H]1N1CCC[C@H](C2CCC2)CC1 ZINC000879426659 590766272 /nfs/dbraw/zinc/76/62/72/590766272.db2.gz OGHJJCYTTRBLPE-QWHCGFSZSA-N 0 1 237.343 2.204 20 0 BEADMN c1n[nH]nc1S[C@@H]1CCc2ccccc2C1 ZINC000127796684 590780047 /nfs/dbraw/zinc/78/00/47/590780047.db2.gz WVWZFEMCOSDAGR-LLVKDONJSA-N 0 1 231.324 2.454 20 0 BEADMN CCc1noc(CN2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000879528059 590789234 /nfs/dbraw/zinc/78/92/34/590789234.db2.gz KBSPJUBJYGPCDS-PHIMTYICSA-N 0 1 233.315 2.030 20 0 BEADMN CCC(O)(CC)C(C)(C)NCc1ncc(C)o1 ZINC000879698223 590850571 /nfs/dbraw/zinc/85/05/71/590850571.db2.gz MKUMUYNTRLCOTP-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN C[C@H]1CCN[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000127987969 590863697 /nfs/dbraw/zinc/86/36/97/590863697.db2.gz KBYVKHIBAHIRTR-WCBMZHEXSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879825320 590880703 /nfs/dbraw/zinc/88/07/03/590880703.db2.gz GTUXBHBTLHVMRY-KEPMVKOISA-N 0 1 247.342 2.085 20 0 BEADMN CCN(C#N)CCN1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004424 590905553 /nfs/dbraw/zinc/90/55/53/590905553.db2.gz UXDYUXSSVCTABO-SNVBAGLBSA-N 0 1 249.280 2.064 20 0 BEADMN Cc1csc([C@@H]2CCN(CCF)C2)n1 ZINC000880009853 590907731 /nfs/dbraw/zinc/90/77/31/590907731.db2.gz QKVOEESKWDAMDG-SECBINFHSA-N 0 1 214.309 2.210 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cnon1)C(C)(C)C ZINC000880076591 590919072 /nfs/dbraw/zinc/91/90/72/590919072.db2.gz QFTPWENTGGLFHO-VIFPVBQESA-N 0 1 211.309 2.184 20 0 BEADMN C[C@@H](CN(C)Cc1cnon1)C(C)(C)C ZINC000880076591 590919076 /nfs/dbraw/zinc/91/90/76/590919076.db2.gz QFTPWENTGGLFHO-VIFPVBQESA-N 0 1 211.309 2.184 20 0 BEADMN CCC1(CC)CCC[N@H+]1Cc1nnc(C)[nH]1 ZINC000880093704 590923411 /nfs/dbraw/zinc/92/34/11/590923411.db2.gz GXFGQBWBXZIKBU-UHFFFAOYSA-N 0 1 222.336 2.268 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@H](C(C)(C)O)C2)o1 ZINC000880147910 590945489 /nfs/dbraw/zinc/94/54/89/590945489.db2.gz LJAJVADLYNKPSZ-MNOVXSKESA-N 0 1 238.331 2.137 20 0 BEADMN COCC1(N(C)Cc2cnc(C)s2)CCC1 ZINC000880185785 590951118 /nfs/dbraw/zinc/95/11/18/590951118.db2.gz CODVTRGOCBBXSC-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN COCC1(N(C)Cc2oc(C)nc2C)CCC1 ZINC000880185303 590952457 /nfs/dbraw/zinc/95/24/57/590952457.db2.gz LQVVCGUKCCTJNP-UHFFFAOYSA-N 0 1 238.331 2.292 20 0 BEADMN FC[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000880238134 590970313 /nfs/dbraw/zinc/97/03/13/590970313.db2.gz PQFQQCVTJQIJMK-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN CC(C)(C)c1nc(CN2CCC(F)CC2)n[nH]1 ZINC000880239250 590972318 /nfs/dbraw/zinc/97/23/18/590972318.db2.gz COSCEISQUHBELE-UHFFFAOYSA-N 0 1 240.326 2.036 20 0 BEADMN Cc1noc(C)c1CN1CCC(F)CC1 ZINC000880239782 590972532 /nfs/dbraw/zinc/97/25/32/590972532.db2.gz QJMBAHQOYSUKHJ-UHFFFAOYSA-N 0 1 212.268 2.225 20 0 BEADMN CCc1nocc1CN1CCC(F)CC1 ZINC000880240018 590973979 /nfs/dbraw/zinc/97/39/79/590973979.db2.gz WOPYVZJDCBMOFY-UHFFFAOYSA-N 0 1 212.268 2.171 20 0 BEADMN FC[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000880299514 590995947 /nfs/dbraw/zinc/99/59/47/590995947.db2.gz HYLMIZBQNTYCPO-SECBINFHSA-N 0 1 224.279 2.343 20 0 BEADMN FC[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000880299515 590996167 /nfs/dbraw/zinc/99/61/67/590996167.db2.gz HYLMIZBQNTYCPO-VIFPVBQESA-N 0 1 224.279 2.343 20 0 BEADMN Cc1nocc1CN1CC[C@@H](c2nccs2)C1 ZINC000880321221 591005689 /nfs/dbraw/zinc/00/56/89/591005689.db2.gz PFHKZSDKXINXIN-SNVBAGLBSA-N 0 1 249.339 2.429 20 0 BEADMN C[C@H]1c2sccc2CCN1CC[S@](C)=O ZINC000880376303 591008051 /nfs/dbraw/zinc/00/80/51/591008051.db2.gz FUTNFMWDLFWOFY-VFZGTOFNSA-N 0 1 243.397 2.046 20 0 BEADMN COCCCCCNC1(c2ncccn2)CCC1 ZINC000880365884 591010238 /nfs/dbraw/zinc/01/02/38/591010238.db2.gz VAOASTVUWNJMIO-UHFFFAOYSA-N 0 1 249.358 2.262 20 0 BEADMN c1cnc(C2(NCC[C@H]3CCCO3)CCC2)nc1 ZINC000880366889 591012743 /nfs/dbraw/zinc/01/27/43/591012743.db2.gz YKNAJBMPTZCBCY-GFCCVEGCSA-N 0 1 247.342 2.015 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(F)c(F)c1 ZINC000880439329 591042456 /nfs/dbraw/zinc/04/24/56/591042456.db2.gz ULBXHKIPWVUAQW-MWLCHTKSSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(F)cc1F ZINC000880439833 591042860 /nfs/dbraw/zinc/04/28/60/591042860.db2.gz LGRIXNXREOHNPS-BXKDBHETSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cccc(F)c1F ZINC000880442395 591044769 /nfs/dbraw/zinc/04/47/69/591044769.db2.gz FBNINMOXZFWOTR-MWLCHTKSSA-N 0 1 241.281 2.310 20 0 BEADMN CSc1ccccc1CN1CC=C[C@@H]1CO ZINC000880489280 591066935 /nfs/dbraw/zinc/06/69/35/591066935.db2.gz RKTUXMXCGHNCOC-GFCCVEGCSA-N 0 1 235.352 2.141 20 0 BEADMN Cc1nc(C(C)C)ccc1CN1CC=C[C@H]1CO ZINC000880492393 591067434 /nfs/dbraw/zinc/06/74/34/591067434.db2.gz RCQKWYTZTGTIGO-AWEZNQCLSA-N 0 1 246.354 2.246 20 0 BEADMN Cc1nc(C(C)C)ccc1CN1CC=C[C@@H]1CO ZINC000880492394 591068485 /nfs/dbraw/zinc/06/84/85/591068485.db2.gz RCQKWYTZTGTIGO-CQSZACIVSA-N 0 1 246.354 2.246 20 0 BEADMN Cc1cc(CN[C@@H]2CCC[C@]23CCCO3)no1 ZINC000880498414 591075843 /nfs/dbraw/zinc/07/58/43/591075843.db2.gz MFUZOVXJRNTKGA-OLZOCXBDSA-N 0 1 236.315 2.174 20 0 BEADMN FCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568586 591097661 /nfs/dbraw/zinc/09/76/61/591097661.db2.gz AWKMSNVNGYSSOA-ZDUSSCGKSA-N 0 1 233.290 2.184 20 0 BEADMN Cc1ccccc1CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880589001 591101474 /nfs/dbraw/zinc/10/14/74/591101474.db2.gz ZQVQSJNLXGWSSP-AWEZNQCLSA-N 0 1 248.370 2.327 20 0 BEADMN COc1ccc(C[C@@H](C)NCc2ccon2)cc1 ZINC000129026160 591207707 /nfs/dbraw/zinc/20/77/07/591207707.db2.gz FZYWVAXNYFBHTE-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H]1C ZINC000881481560 591211362 /nfs/dbraw/zinc/21/13/62/591211362.db2.gz HGCSITLMAMNFKA-QMMMGPOBSA-N 0 1 221.304 2.076 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)c1cccc2nc[nH]c21 ZINC000881494919 591217722 /nfs/dbraw/zinc/21/77/22/591217722.db2.gz DNEJVZFKYWESJX-SNVBAGLBSA-N 0 1 241.294 2.259 20 0 BEADMN CCC[C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC000881530162 591230656 /nfs/dbraw/zinc/23/06/56/591230656.db2.gz WJLJJPYWNGVION-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC000881532828 591231986 /nfs/dbraw/zinc/23/19/86/591231986.db2.gz WMPAQWRCFCHOPN-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC1(C)C[C@@]1(C)CNC(=O)c1[nH]nc2c1CCC2 ZINC000881540495 591234216 /nfs/dbraw/zinc/23/42/16/591234216.db2.gz JIWSWLOURLPASS-AWEZNQCLSA-N 0 1 247.342 2.064 20 0 BEADMN C=C/C=C\CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000881564938 591240153 /nfs/dbraw/zinc/24/01/53/591240153.db2.gz FRQALHGIMLWJOI-BYCRGOAPSA-N 0 1 245.326 2.078 20 0 BEADMN O=C(NCC[C@H]1CCCC1(F)F)C(F)(F)F ZINC000881581088 591248345 /nfs/dbraw/zinc/24/83/45/591248345.db2.gz BJTPBPHWXBDDLZ-ZCFIWIBFSA-N 0 1 245.191 2.490 20 0 BEADMN C[C@H](NCC[S@@](C)=O)c1ccccc1Cl ZINC000129410309 591293260 /nfs/dbraw/zinc/29/32/60/591293260.db2.gz ZBIPOWSRPMGHOB-VFZGTOFNSA-N 0 1 245.775 2.369 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2nc(C)cnc2C)[nH]n1 ZINC000882110130 591299312 /nfs/dbraw/zinc/29/93/12/591299312.db2.gz PAOSUDAHNOETED-MRVPVSSYSA-N 0 1 245.330 2.168 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000882479659 591357049 /nfs/dbraw/zinc/35/70/49/591357049.db2.gz BOCYGOFUWQYZBN-AWEZNQCLSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC000882489128 591366963 /nfs/dbraw/zinc/36/69/63/591366963.db2.gz MHXSPGIDFRUZPX-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CCC[C@H](C(=O)NC[C@@H]1CCN1CC)C(C)C ZINC000882490558 591368870 /nfs/dbraw/zinc/36/88/70/591368870.db2.gz RFHIDELSIUMNEI-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC000882490892 591369246 /nfs/dbraw/zinc/36/92/46/591369246.db2.gz YWCMMODSABZIAA-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C=Cc1ccc(C(=O)NC[C@H]2CCN2CC)cc1 ZINC000882490666 591370364 /nfs/dbraw/zinc/37/03/64/591370364.db2.gz TWXRTEXLMSIHAH-CQSZACIVSA-N 0 1 244.338 2.154 20 0 BEADMN CCCC[C@H](C)C(=O)NC[C@@H]1CCN1CC ZINC000882491319 591370544 /nfs/dbraw/zinc/37/05/44/591370544.db2.gz DRMJTKYDHVLEPI-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC000882492833 591372484 /nfs/dbraw/zinc/37/24/84/591372484.db2.gz TWQVNKQOQDSHIO-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NC[C@H]1CCN1CC ZINC000882495357 591373970 /nfs/dbraw/zinc/37/39/70/591373970.db2.gz XTFNBCNSGTVRBL-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC(C)(C)C(=O)NC[C@H]1CCN1CC ZINC000882494255 591376857 /nfs/dbraw/zinc/37/68/57/591376857.db2.gz IBRQOQFESNMFMI-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)c1cc(=O)n(-c2cccnc2Cl)[nH]1 ZINC000129807214 591410065 /nfs/dbraw/zinc/41/00/65/591410065.db2.gz CJCOQMKALGUFQD-UHFFFAOYSA-N 0 1 237.690 2.484 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)OC1CCCCC1 ZINC000882763450 591431620 /nfs/dbraw/zinc/43/16/20/591431620.db2.gz OPPXPSZOPMHJFS-LLVKDONJSA-N 0 1 240.347 2.140 20 0 BEADMN Cc1ccnc(NC[C@@H](CO)Cc2ccoc2)c1 ZINC000882866311 591457951 /nfs/dbraw/zinc/45/79/51/591457951.db2.gz JTXVOLHXQMYMQM-ZDUSSCGKSA-N 0 1 246.310 2.246 20 0 BEADMN CCN1CC[C@H]1CNc1nnc(C(C)C)s1 ZINC000882960308 591484784 /nfs/dbraw/zinc/48/47/84/591484784.db2.gz GIEARVOAFQNQGW-VIFPVBQESA-N 0 1 240.376 2.168 20 0 BEADMN CCN1CC[C@@H]1CNc1nnc(C(C)C)s1 ZINC000882960307 591486161 /nfs/dbraw/zinc/48/61/61/591486161.db2.gz GIEARVOAFQNQGW-SECBINFHSA-N 0 1 240.376 2.168 20 0 BEADMN COCC(C)(C)NCc1nc(C(C)C)c[nH]1 ZINC000882967942 591487754 /nfs/dbraw/zinc/48/77/54/591487754.db2.gz XSJPOGXLBDEJOI-UHFFFAOYSA-N 0 1 225.336 2.048 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@](C)(O)C(C)C)n1 ZINC000882993738 591498877 /nfs/dbraw/zinc/49/88/77/591498877.db2.gz GTQLPDYWWGOXCP-ZDUSSCGKSA-N 0 1 239.363 2.030 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882994148 591499372 /nfs/dbraw/zinc/49/93/72/591499372.db2.gz UIWAPMMAYSEXEZ-ZYHUDNBSSA-N 0 1 239.363 2.030 20 0 BEADMN CSC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883014016 591513705 /nfs/dbraw/zinc/51/37/05/591513705.db2.gz GIYNIANPCRNLCW-VIFPVBQESA-N 0 1 227.377 2.374 20 0 BEADMN CO[C@@H](CNCc1nc(C(C)C)c[nH]1)C(C)C ZINC000883026421 591517483 /nfs/dbraw/zinc/51/74/83/591517483.db2.gz SOQKGGHBUCTEMD-LBPRGKRZSA-N 0 1 239.363 2.294 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@]2(C)CCO[C@H]2C)n1 ZINC000883087240 591537658 /nfs/dbraw/zinc/53/76/58/591537658.db2.gz RGPRSGRLUMGBGN-GWCFXTLKSA-N 0 1 237.347 2.190 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883100428 591539435 /nfs/dbraw/zinc/53/94/35/591539435.db2.gz XMXHXAYUMHWVIT-VHSXEESVSA-N 0 1 225.336 2.046 20 0 BEADMN Cc1nonc1CNC[C@H](C)c1ccccc1 ZINC000131184312 591566153 /nfs/dbraw/zinc/56/61/53/591566153.db2.gz DDCJLZHFWSHXQZ-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN c1nc(CNCC2(CC3CC3)CC2)co1 ZINC000883248767 591589682 /nfs/dbraw/zinc/58/96/82/591589682.db2.gz FPUVUTLECJAFOW-UHFFFAOYSA-N 0 1 206.289 2.345 20 0 BEADMN CCC[C@@H](C)CCNCc1ncnn1CC ZINC000883250476 591591015 /nfs/dbraw/zinc/59/10/15/591591015.db2.gz AOJKUDREGCIIIN-LLVKDONJSA-N 0 1 224.352 2.214 20 0 BEADMN c1cnc(C2(NC[C@H]3CCSC3)CCC2)nc1 ZINC000883306624 591611122 /nfs/dbraw/zinc/61/11/22/591611122.db2.gz ZJCXRONLQSRCMV-LLVKDONJSA-N 0 1 249.383 2.199 20 0 BEADMN COC[C@@H](NC1(c2ncccn2)CCC1)C(C)C ZINC000883312498 591612061 /nfs/dbraw/zinc/61/20/61/591612061.db2.gz GEWGDMWKSVOGKO-GFCCVEGCSA-N 0 1 249.358 2.116 20 0 BEADMN COc1nccnc1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319423 591613860 /nfs/dbraw/zinc/61/38/60/591613860.db2.gz BFBIDXYNXGCKAD-SDDRHHMPSA-N 0 1 247.342 2.154 20 0 BEADMN C[N@H+](CCC(=O)[O-])CC[C@@H]1CCCC1(F)F ZINC000883405033 591649560 /nfs/dbraw/zinc/64/95/60/591649560.db2.gz YEMHKROCGLEHMU-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccccc1C)C(=O)[O-] ZINC000214654523 591702354 /nfs/dbraw/zinc/70/23/54/591702354.db2.gz MQOWWUXWCQGIDT-XYOKQWHBSA-N 0 1 233.311 2.458 20 0 BEADMN C/C(=C\Cn1cc[nH+]c1C(C)C)C(=O)[O-] ZINC000214738250 591781234 /nfs/dbraw/zinc/78/12/34/591781234.db2.gz KZRNOEBJRLMDNU-RUDMXATFSA-N 0 1 208.261 2.037 20 0 BEADMN CCn1cc(CN([C@H](C)C2CC2)C2CC2)nn1 ZINC000883997821 591790522 /nfs/dbraw/zinc/79/05/22/591790522.db2.gz CHEORNUZQHXCQM-SNVBAGLBSA-N 0 1 234.347 2.061 20 0 BEADMN CC[C@H]1CCCN(Cc2cn(CC)nn2)CC1 ZINC000884002304 591792405 /nfs/dbraw/zinc/79/24/05/591792405.db2.gz ZPUZTLHOIDFDQO-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CC(N(C)C)C1 ZINC000135005552 591972740 /nfs/dbraw/zinc/97/27/40/591972740.db2.gz YLNRNVYVIPGHFG-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135261677 592000714 /nfs/dbraw/zinc/00/07/14/592000714.db2.gz YMWOBTMJDNJPBA-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885260669 592061409 /nfs/dbraw/zinc/06/14/09/592061409.db2.gz GFJZDELFZRIANW-CABZTGNLSA-N 0 1 236.315 2.419 20 0 BEADMN CN(Cc1cccc(F)c1)C[C@](C)(O)C(F)F ZINC000885941935 592111992 /nfs/dbraw/zinc/11/19/92/592111992.db2.gz HVTROJGNPBRGOG-LBPRGKRZSA-N 0 1 247.260 2.274 20 0 BEADMN CN(Cc1cccs1)C[C@@](C)(O)C(F)F ZINC000885941529 592112149 /nfs/dbraw/zinc/11/21/49/592112149.db2.gz BNFNHEYQHWMYAD-SNVBAGLBSA-N 0 1 235.299 2.196 20 0 BEADMN Cc1[nH]nc(CNCc2cc(C(C)C)no2)c1C ZINC000885985221 592121698 /nfs/dbraw/zinc/12/16/98/592121698.db2.gz BPMRTMPFHPZVIP-UHFFFAOYSA-N 0 1 248.330 2.428 20 0 BEADMN O=C(NC[C@]12C[C@H]1CCC2)c1cccc(F)c1O ZINC000886011430 592129994 /nfs/dbraw/zinc/12/99/94/592129994.db2.gz AOKZYVSKPGVKGB-OTYXRUKQSA-N 0 1 249.285 2.451 20 0 BEADMN Cc1coc(CNCc2ccn(C)c2)c1 ZINC000886008672 592130402 /nfs/dbraw/zinc/13/04/02/592130402.db2.gz RYOLGFXGRKXHGD-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN COc1ccc(C)nc1NCc1n[nH]c(C)c1C ZINC000886026590 592135649 /nfs/dbraw/zinc/13/56/49/592135649.db2.gz ZGNDNUFPYGXJTM-UHFFFAOYSA-N 0 1 246.314 2.351 20 0 BEADMN C[N@H+](Cc1nccs1)C[C@H]1C[C@]12CCOC2 ZINC000886030980 592137262 /nfs/dbraw/zinc/13/72/62/592137262.db2.gz YVXGRKNOYZZYCB-PWSUYJOCSA-N 0 1 238.356 2.002 20 0 BEADMN CN(Cc1nccs1)C[C@H]1C[C@]12CCOC2 ZINC000886030980 592137265 /nfs/dbraw/zinc/13/72/65/592137265.db2.gz YVXGRKNOYZZYCB-PWSUYJOCSA-N 0 1 238.356 2.002 20 0 BEADMN Cc1[nH]nc(CNc2cnccc2C)c1C ZINC000886041988 592139272 /nfs/dbraw/zinc/13/92/72/592139272.db2.gz UHHRZXVHVAGAQZ-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN CCC(F)(F)CNCc1n[nH]c(C)c1C ZINC000886169708 592168697 /nfs/dbraw/zinc/16/86/97/592168697.db2.gz GMCMNJUPKXFJFN-UHFFFAOYSA-N 0 1 217.263 2.161 20 0 BEADMN CC[C@H](NCc1cc(C)co1)[C@@H](O)C(F)F ZINC000886132342 592159649 /nfs/dbraw/zinc/15/96/49/592159649.db2.gz VXUYQOVNOVZYNN-VHSXEESVSA-N 0 1 233.258 2.082 20 0 BEADMN Cc1noc([C@@H](C)NCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886130037 592159813 /nfs/dbraw/zinc/15/98/13/592159813.db2.gz UDMHKCKMCWXZNS-FXAINCCUSA-N 0 1 235.331 2.465 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(Cl)cn1 ZINC000886170348 592168674 /nfs/dbraw/zinc/16/86/74/592168674.db2.gz XCPPAXZXNFLXQW-NEPJUHHUSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1n[nH]c(CN[C@@H]2CCCC[C@@H]2F)c1C ZINC000886174838 592169750 /nfs/dbraw/zinc/16/97/50/592169750.db2.gz KNSQXNGFYNSSBV-WDEREUQCSA-N 0 1 225.311 2.397 20 0 BEADMN CC(C)N(C[C@H]1CC[C@@H](C2CC2)O1)C1COC1 ZINC000886220348 592179832 /nfs/dbraw/zinc/17/98/32/592179832.db2.gz GTAUJXLUJGYLKZ-KGLIPLIRSA-N 0 1 239.359 2.053 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886226498 592180693 /nfs/dbraw/zinc/18/06/93/592180693.db2.gz NHAWWXHPHRUSEE-GJZGRUSLSA-N 0 1 246.354 2.471 20 0 BEADMN Cc1[nH]nc(CNCc2cc(C3CC3)no2)c1C ZINC000886269173 592191601 /nfs/dbraw/zinc/19/16/01/592191601.db2.gz NVJATTHKEIGMTL-UHFFFAOYSA-N 0 1 246.314 2.182 20 0 BEADMN CC[C@H]1C[C@H](NCc2cc(C3CC3)no2)CO1 ZINC000886269291 592191671 /nfs/dbraw/zinc/19/16/71/592191671.db2.gz QZLKXIZZPHLEOV-QWRGUYRKSA-N 0 1 236.315 2.209 20 0 BEADMN CC[C@H]1C[C@@H](NCc2cc(C3CC3)no2)CO1 ZINC000886269290 592191811 /nfs/dbraw/zinc/19/18/11/592191811.db2.gz QZLKXIZZPHLEOV-MNOVXSKESA-N 0 1 236.315 2.209 20 0 BEADMN C[C@@H](NC[C@@H]1CCO[C@H](C)C1)c1ncco1 ZINC000886274644 592194747 /nfs/dbraw/zinc/19/47/47/592194747.db2.gz YAPLPVATHYCDGO-GMTAPVOTSA-N 0 1 224.304 2.140 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1C[C@]13CCOC3)C2 ZINC000886297579 592202796 /nfs/dbraw/zinc/20/27/96/592202796.db2.gz VAWRPPWWSGEJDT-HIFRSBDPSA-N 0 1 245.322 2.134 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@H](c2nccs2)C1 ZINC000886316470 592206768 /nfs/dbraw/zinc/20/67/68/592206768.db2.gz CJZITTCXEOYMHB-SNVBAGLBSA-N 0 1 248.355 2.164 20 0 BEADMN C[C@H](C(=O)Nc1cccc(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886329568 592210076 /nfs/dbraw/zinc/21/00/76/592210076.db2.gz GHLNERJTVYSRET-MXWKQRLJSA-N 0 1 248.301 2.104 20 0 BEADMN Cc1cccc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)c1C ZINC000886329773 592210113 /nfs/dbraw/zinc/21/01/13/592210113.db2.gz JCOZDAFNBZDGOA-BETUJISGSA-N 0 1 244.338 2.194 20 0 BEADMN Cc1ccc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)c(C)c1 ZINC000886330150 592210522 /nfs/dbraw/zinc/21/05/22/592210522.db2.gz OLEVCDSONWPCGT-BETUJISGSA-N 0 1 244.338 2.194 20 0 BEADMN Cc1cc(C)cc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886337949 592212450 /nfs/dbraw/zinc/21/24/50/592212450.db2.gz FIBYGJOOBAKPPN-BETUJISGSA-N 0 1 244.338 2.194 20 0 BEADMN CCn1cc(Cl)c(NCc2cn[nH]c2C)n1 ZINC000886368446 592220841 /nfs/dbraw/zinc/22/08/41/592220841.db2.gz TUGGIMJPLOXACG-UHFFFAOYSA-N 0 1 239.710 2.200 20 0 BEADMN C[C@@H](c1ccccc1)N1CCCn2nncc2C1 ZINC000886453060 592226920 /nfs/dbraw/zinc/22/69/20/592226920.db2.gz ZGKJOLXWNUDMNC-LBPRGKRZSA-N 0 1 242.326 2.245 20 0 BEADMN CCSCCCN[C@@H](C)c1ncco1 ZINC000886532161 592248685 /nfs/dbraw/zinc/24/86/85/592248685.db2.gz FAIISCJSUUCNCJ-VIFPVBQESA-N 0 1 214.334 2.468 20 0 BEADMN CSCCCN[C@@H](C)c1ncco1 ZINC000886532618 592248700 /nfs/dbraw/zinc/24/87/00/592248700.db2.gz MDQGVJPYULOWOV-QMMMGPOBSA-N 0 1 200.307 2.078 20 0 BEADMN CSCCCN[C@H](C)c1ncco1 ZINC000886532617 592248913 /nfs/dbraw/zinc/24/89/13/592248913.db2.gz MDQGVJPYULOWOV-MRVPVSSYSA-N 0 1 200.307 2.078 20 0 BEADMN COC(=O)CN1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886542806 592255288 /nfs/dbraw/zinc/25/52/88/592255288.db2.gz GMRFWRGFYVXVAJ-FZMZJTMJSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000886568836 592262812 /nfs/dbraw/zinc/26/28/12/592262812.db2.gz XHSYEUFDVKJMSZ-GARJFASQSA-N 0 1 238.356 2.339 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886595194 592270927 /nfs/dbraw/zinc/27/09/27/592270927.db2.gz CQANCXFBVLFEIZ-UWUHSAQLSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1nccn1C ZINC000886702097 592306531 /nfs/dbraw/zinc/30/65/31/592306531.db2.gz ZZRVIPHYRIVLLN-VXGBXAGGSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1ncc[nH]1 ZINC000886702039 592307212 /nfs/dbraw/zinc/30/72/12/592307212.db2.gz ZLVVJRGPKNGONT-MNOVXSKESA-N 0 1 235.331 2.020 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ncc[nH]1 ZINC000886730849 592313996 /nfs/dbraw/zinc/31/39/96/592313996.db2.gz NIFUGKOCIBWHDI-RYUDHWBXSA-N 0 1 249.358 2.410 20 0 BEADMN CC(C)N(C(=O)[C@H](C)N(C)CCCF)C(C)C ZINC000887137299 592450951 /nfs/dbraw/zinc/45/09/51/592450951.db2.gz BXHPYOMSEUIEBJ-LBPRGKRZSA-N 0 1 246.370 2.312 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CCCF ZINC000887135935 592451060 /nfs/dbraw/zinc/45/10/60/592451060.db2.gz CEMDEAWEKRRBSU-TXEJJXNPSA-N 0 1 244.354 2.067 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN(C)CCCF ZINC000887136131 592452007 /nfs/dbraw/zinc/45/20/07/592452007.db2.gz KOLWQZCNZOYAIM-LBPRGKRZSA-N 0 1 246.370 2.363 20 0 BEADMN Cc1nc(C)c(CN(C)CCCF)o1 ZINC000887141319 592456828 /nfs/dbraw/zinc/45/68/28/592456828.db2.gz NYTPGFNGMJXBQE-UHFFFAOYSA-N 0 1 200.257 2.083 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+]C2(C3CC3)CCC2)n1 ZINC000887147459 592461100 /nfs/dbraw/zinc/46/11/00/592461100.db2.gz NZCPFHAHHAWYMX-UHFFFAOYSA-N 0 1 247.342 2.167 20 0 BEADMN CC(C)c1cc(=O)n(C2CCSCC2)[nH]1 ZINC000887292981 592477366 /nfs/dbraw/zinc/47/73/66/592477366.db2.gz NRXQULISEPDOIL-UHFFFAOYSA-N 0 1 226.345 2.126 20 0 BEADMN CCCc1cc(=O)n(C2CCSCC2)[nH]1 ZINC000887293238 592478339 /nfs/dbraw/zinc/47/83/39/592478339.db2.gz XWGUVEZANQNCIC-UHFFFAOYSA-N 0 1 226.345 2.270 20 0 BEADMN Cc1cn[nH]c1C[S@](=O)Cc1ccc(C)cc1 ZINC000887374100 592496409 /nfs/dbraw/zinc/49/64/09/592496409.db2.gz DRTRHBFGFOCYHB-QGZVFWFLSA-N 0 1 248.351 2.475 20 0 BEADMN Cc1cn[nH]c1C[S@@](=O)Cc1ccccc1 ZINC000887374947 592496421 /nfs/dbraw/zinc/49/64/21/592496421.db2.gz YUBRERAJLZRDGG-INIZCTEOSA-N 0 1 234.324 2.167 20 0 BEADMN Cc1cccc(C)c1CN(C)C(=O)[C@H](C)N(C)C ZINC000887956194 592563276 /nfs/dbraw/zinc/56/32/76/592563276.db2.gz DRHGZLPRQKPGQJ-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cccc(F)c1O ZINC000889579301 592621057 /nfs/dbraw/zinc/62/10/57/592621057.db2.gz WTWHIXZVCPUBTD-VDDIYKPWSA-N 0 1 249.285 2.450 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CCC=CCCC1)N(C)C ZINC000890047535 592672258 /nfs/dbraw/zinc/67/22/58/592672258.db2.gz SMTTZFYGYRQCOA-CHWSQXEVSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H](c1ccccc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774462 601500842 /nfs/dbraw/zinc/50/08/42/601500842.db2.gz QQEAWPQKLMDMAO-MDZLAQPJSA-N 0 1 233.311 2.400 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000706965683 602207202 /nfs/dbraw/zinc/20/72/02/602207202.db2.gz NVAKNLQYKRDUML-XQQFMLRXSA-N 0 1 231.295 2.297 20 0 BEADMN CC[N@@H+](CCCCC(=O)[O-])Cc1ccccn1 ZINC000094919662 597787885 /nfs/dbraw/zinc/78/78/85/597787885.db2.gz PTPXJFLPBZFPFF-UHFFFAOYSA-N 0 1 236.315 2.158 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1Cl ZINC000167114028 598161786 /nfs/dbraw/zinc/16/17/86/598161786.db2.gz BHSYPJUXJURSRR-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN C/C(=C\C[N@H+]1CCCc2ccccc2C1)C(=O)[O-] ZINC000088630705 601165258 /nfs/dbraw/zinc/16/52/58/601165258.db2.gz NYUDFTBDFNIILY-XYOKQWHBSA-N 0 1 245.322 2.466 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000037914325 599772142 /nfs/dbraw/zinc/77/21/42/599772142.db2.gz AQNWIWGWZKKGGH-SECBINFHSA-N 0 1 223.272 2.352 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000381158236 600231930 /nfs/dbraw/zinc/23/19/30/600231930.db2.gz QTNMZMLFRLGZJU-SNVBAGLBSA-N 0 1 223.272 2.281 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])Cc2ccccc21 ZINC000736811676 600316634 /nfs/dbraw/zinc/31/66/34/600316634.db2.gz SBTVCSYBHUTTGO-LLVKDONJSA-N 0 1 233.311 2.471 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000689101490 600375534 /nfs/dbraw/zinc/37/55/34/600375534.db2.gz JFDNZLCYSQUPFZ-IJLUTSLNSA-N 0 1 243.347 2.129 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000689101489 600375713 /nfs/dbraw/zinc/37/57/13/600375713.db2.gz JFDNZLCYSQUPFZ-GRYCIOLGSA-N 0 1 243.347 2.129 20 0 BEADMN Cc1ccc(NCc2ccc(C(=O)[O-])o2)[nH+]c1 ZINC000094554942 600814941 /nfs/dbraw/zinc/81/49/41/600814941.db2.gz JOQZNPNDELAFCJ-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)[O-])o1 ZINC000818885379 600857752 /nfs/dbraw/zinc/85/77/52/600857752.db2.gz SBKKEYLYUFYBMS-ONGXEEELSA-N 0 1 237.299 2.446 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccncc1 ZINC000036776552 600977418 /nfs/dbraw/zinc/97/74/18/600977418.db2.gz BRHQTAPGBNQDLV-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccncc1 ZINC000036776552 600977421 /nfs/dbraw/zinc/97/74/21/600977421.db2.gz BRHQTAPGBNQDLV-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000088630454 601049373 /nfs/dbraw/zinc/04/93/73/601049373.db2.gz GNNCVDVJMPPFKV-YFHOEESVSA-N 0 1 237.274 2.288 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@@H]1C ZINC000308858129 601116801 /nfs/dbraw/zinc/11/68/01/601116801.db2.gz QPGHFDKXDSYSKT-DTWKUNHWSA-N 0 1 205.257 2.036 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@H]1C(C)C)C(=O)[O-] ZINC000084126541 601157949 /nfs/dbraw/zinc/15/79/49/601157949.db2.gz IXFCIXKWHOROLB-YAEJEKNGSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1cccc(C)c1)C(=O)[O-] ZINC000214654364 601158682 /nfs/dbraw/zinc/15/86/82/601158682.db2.gz ONNUBJAZRHYTIN-KPKJPENVSA-N 0 1 233.311 2.458 20 0 BEADMN C/C(=C/C[N@@H+]1CCCCC[C@@H]1C)C(=O)[O-] ZINC000084003165 601167655 /nfs/dbraw/zinc/16/76/55/601167655.db2.gz LHIKVUCKUQGWAM-BRNRAETOSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000227999291 601178299 /nfs/dbraw/zinc/17/82/99/601178299.db2.gz FIXIZOZSTQZXIZ-JMQBSKDBSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000084049319 601178485 /nfs/dbraw/zinc/17/84/85/601178485.db2.gz FIXIZOZSTQZXIZ-FBHVHMQKSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C/C[N@H+]1C[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000084049327 601178415 /nfs/dbraw/zinc/17/84/15/601178415.db2.gz FIXIZOZSTQZXIZ-ALTINICFSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1cc(C[N@H+](C)C(C)C)oc1C(=O)[O-] ZINC000036812764 601339335 /nfs/dbraw/zinc/33/93/35/601339335.db2.gz VICQMYKAGROQJY-UHFFFAOYSA-N 0 1 211.261 2.126 20 0 BEADMN C/C(=C\C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000309731957 601425751 /nfs/dbraw/zinc/42/57/51/601425751.db2.gz SHOCPKPBIIGHFX-AGYGCQASSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000082557778 601500909 /nfs/dbraw/zinc/50/09/09/601500909.db2.gz RFYDUIVUFJZDRS-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2)C[C@H]1C ZINC000092085990 601538051 /nfs/dbraw/zinc/53/80/51/601538051.db2.gz JAQVLOYIIXPGDP-LOWVWBTDSA-N 0 1 233.311 2.400 20 0 BEADMN Cc1[nH+]cn(Cc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000235942753 601629507 /nfs/dbraw/zinc/62/95/07/601629507.db2.gz ACQFLBOYYUMLBD-UHFFFAOYSA-N 0 1 248.257 2.386 20 0 BEADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000739585266 601982136 /nfs/dbraw/zinc/98/21/36/601982136.db2.gz OMDYYQPGCYSNFP-ZDUSSCGKSA-N 0 1 248.326 2.261 20 0 BEADMN O=C([O-])NC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000740622173 602046530 /nfs/dbraw/zinc/04/65/30/602046530.db2.gz HRELLOUDAHRFTJ-GFCCVEGCSA-N 0 1 240.347 2.299 20 0 BEADMN O=C([O-])NC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000740622174 602046553 /nfs/dbraw/zinc/04/65/53/602046553.db2.gz HRELLOUDAHRFTJ-LBPRGKRZSA-N 0 1 240.347 2.299 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000738764276 602254439 /nfs/dbraw/zinc/25/44/39/602254439.db2.gz DSJFGVPQTZVUOF-NSHDSACASA-N 0 1 242.363 2.353 20 0 BEADMN CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739298163 602257717 /nfs/dbraw/zinc/25/77/17/602257717.db2.gz COMDNVKFJBBNGZ-NSHDSACASA-N 0 1 242.363 2.497 20 0 BEADMN C[C@H](CNC(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000738940337 602557057 /nfs/dbraw/zinc/55/70/57/602557057.db2.gz RCDULFIXRWRPIL-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN CCC[N@@H+](C/C=C\Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358940 602578584 /nfs/dbraw/zinc/57/85/84/602578584.db2.gz SKCCSDIGFHSOEM-ATPLWMGHSA-N 0 1 246.738 2.203 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[O-])C1 ZINC000739079069 602667146 /nfs/dbraw/zinc/66/71/46/602667146.db2.gz JKSQUHREYBFAHG-PHIMTYICSA-N 0 1 228.336 2.012 20 0 BEADMN Cc1ccc(C[N@@H+]2CCN(C(=O)[O-])C[C@@H]2C)cc1 ZINC000740125343 602740254 /nfs/dbraw/zinc/74/02/54/602740254.db2.gz CXNQWMSSJWCXKO-LBPRGKRZSA-N 0 1 248.326 2.179 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739327765 602766886 /nfs/dbraw/zinc/76/68/86/602766886.db2.gz AEZQJBHYHOACAR-GHMZBOCLSA-N 0 1 228.336 2.155 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739182213 602769363 /nfs/dbraw/zinc/76/93/63/602769363.db2.gz VUGIUAQMSPRSPX-JQWIXIFHSA-N 0 1 240.347 2.155 20 0 BEADMN C[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CCCCC1 ZINC000739656280 602975450 /nfs/dbraw/zinc/97/54/50/602975450.db2.gz FPDOUOFDGCTOJC-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)[O-] ZINC000739060229 603081845 /nfs/dbraw/zinc/08/18/45/603081845.db2.gz WMVSQRNSEOMMGF-SECBINFHSA-N 0 1 240.278 2.086 20 0 BEADMN C[N@H+](C/C=C/c1ccccc1)CCCNC(=O)[O-] ZINC000739663515 603252565 /nfs/dbraw/zinc/25/25/65/603252565.db2.gz HSJYGSRURVLDES-WEVVVXLNSA-N 0 1 248.326 2.289 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000738800184 603328010 /nfs/dbraw/zinc/32/80/10/603328010.db2.gz GHEOGRJEZKECMK-NEPJUHHUSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H]1CCCCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739099042 603346436 /nfs/dbraw/zinc/34/64/36/603346436.db2.gz BWPZVTPWISFNHJ-NWDGAFQWSA-N 0 1 240.347 2.251 20 0 BEADMN C[N@@H+](C1CCN(C(=O)[O-])CC1)[C@H]1C=CCCC1 ZINC000828081558 603979409 /nfs/dbraw/zinc/97/94/09/603979409.db2.gz VJIVSWLQTMBUGH-NSHDSACASA-N 0 1 238.331 2.169 20 0 BEADMN CC1(C)CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000825718446 604087508 /nfs/dbraw/zinc/08/75/08/604087508.db2.gz FAMURSYRJKBING-LLVKDONJSA-N 0 1 240.347 2.108 20 0 BEADMN O=C([O-])N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000740596457 604372979 /nfs/dbraw/zinc/37/29/79/604372979.db2.gz YBPXIXKGRDIGPP-LLPBQKLSSA-N 0 1 246.310 2.042 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000738915352 604381191 /nfs/dbraw/zinc/38/11/91/604381191.db2.gz VJCFVWLNQXFKRM-WCQYABFASA-N 0 1 248.326 2.132 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+](C)Cc1nc2ccccc2o1 ZINC000044620020 604438974 /nfs/dbraw/zinc/43/89/74/604438974.db2.gz SNBYVFASETUMBP-SNVBAGLBSA-N 0 1 248.282 2.123 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000044620020 604438975 /nfs/dbraw/zinc/43/89/75/604438975.db2.gz SNBYVFASETUMBP-SNVBAGLBSA-N 0 1 248.282 2.123 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)s1 ZINC000062134424 604542743 /nfs/dbraw/zinc/54/27/43/604542743.db2.gz KVDJAGFYYAABFC-VIFPVBQESA-N 0 1 239.340 2.217 20 0 BEADMN CCCc1[nH+]ccn1Cc1ccc(C(=O)[O-])o1 ZINC000070423660 604630251 /nfs/dbraw/zinc/63/02/51/604630251.db2.gz HOJIBQOUIHKDPP-UHFFFAOYSA-N 0 1 234.255 2.175 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccoc1 ZINC000227228695 604682160 /nfs/dbraw/zinc/68/21/60/604682160.db2.gz XYASOOMEHOHRHG-AVGNSLFASA-N 0 1 249.310 2.497 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000383675180 604718856 /nfs/dbraw/zinc/71/88/56/604718856.db2.gz XFLBXOAOEKXMSF-RUYJGKKWSA-N 0 1 234.299 2.105 20 0 BEADMN CCC(CC)C[N@@H+](CC(=O)[O-])C(C)C ZINC000083405553 604966840 /nfs/dbraw/zinc/96/68/40/604966840.db2.gz SJGXDLNTSBLBCU-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000707006244 605054575 /nfs/dbraw/zinc/05/45/75/605054575.db2.gz WDORIHXOVWWKMH-HLTSFMKQSA-N 0 1 221.256 2.133 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cn1 ZINC000703867556 605357762 /nfs/dbraw/zinc/35/77/62/605357762.db2.gz HPPLXNILTQWCRB-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000739540885 605913317 /nfs/dbraw/zinc/91/33/17/605913317.db2.gz CQNWMWKCRONXNR-ZDUSSCGKSA-N 0 1 248.326 2.091 20 0 BEADMN CC(C)=CCCOC(=O)[C@@H](C(C)C)N(C)C ZINC001118398521 988278403 /nfs/dbraw/zinc/27/84/03/988278403.db2.gz BTRSDJJMGMYHCF-GFCCVEGCSA-N 0 1 227.348 2.472 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@@H](C)CC(C)(C)SC ZINC001258341784 991250524 /nfs/dbraw/zinc/25/05/24/991250524.db2.gz NWBSCQNYXZQCPY-VHSXEESVSA-N 0 1 247.404 2.400 20 0 BEADMN Cc1noc([C@H](C)NC[C@H]2CCC(F)(F)C2)n1 ZINC000429785531 634437234 /nfs/dbraw/zinc/43/72/34/634437234.db2.gz LIRALGISBHAAHX-CBAPKCEASA-N 0 1 245.273 2.464 20 0 BEADMN CC1(C)CCC[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC000909398717 634613251 /nfs/dbraw/zinc/61/32/51/634613251.db2.gz MYQLFWOUWSMMOX-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN CCONC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000159470511 635461580 /nfs/dbraw/zinc/46/15/80/635461580.db2.gz DUMWBJORJBVISW-AWEZNQCLSA-N 0 1 233.311 2.348 20 0 BEADMN C[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CCCC1 ZINC000234304831 635551947 /nfs/dbraw/zinc/55/19/47/635551947.db2.gz NJADURKGTWNONZ-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN COCCCN1CCS[C@@H](C(F)(F)F)C1 ZINC000932078166 635554671 /nfs/dbraw/zinc/55/46/71/635554671.db2.gz GQBZDCAPKDEDRK-MRVPVSSYSA-N 0 1 243.294 2.003 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925865320 635563933 /nfs/dbraw/zinc/56/39/33/635563933.db2.gz NZCIQFYMUROHJB-GYSYKLTISA-N 0 1 232.327 2.118 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C[C@@H]1C ZINC000235334837 635572086 /nfs/dbraw/zinc/57/20/86/635572086.db2.gz GCKGHHMHFSSWIJ-MNOVXSKESA-N 0 1 248.326 2.258 20 0 BEADMN Cc1ccccc1[C@@H]1CN(CCCO)[C@H](C)CO1 ZINC000075785163 631275592 /nfs/dbraw/zinc/27/55/92/631275592.db2.gz DCKYUQLEGICKAX-HIFRSBDPSA-N 0 1 249.354 2.139 20 0 BEADMN COC1CCN(Cc2cnc(F)c(C)c2)CC1 ZINC000891536912 631388891 /nfs/dbraw/zinc/38/88/91/631388891.db2.gz OKVHZBRJKHPQEJ-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)S(=O)(=O)CCN1CCCCCCC1 ZINC000178203482 631417917 /nfs/dbraw/zinc/41/79/17/631417917.db2.gz AJPFEYFJMBEZQA-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN OC[C@@H](NC/C(Cl)=C/Cl)C1CCCC1 ZINC000308545484 631424093 /nfs/dbraw/zinc/42/40/93/631424093.db2.gz ODGANSUVCGDGME-HYHWUIIZSA-N 0 1 238.158 2.446 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662466 631428612 /nfs/dbraw/zinc/42/86/12/631428612.db2.gz CLDFKUQDBLCEET-SKDRFNHKSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662466 631428618 /nfs/dbraw/zinc/42/86/18/631428618.db2.gz CLDFKUQDBLCEET-SKDRFNHKSA-N 0 1 249.310 2.452 20 0 BEADMN CCSCC[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000129871153 631469672 /nfs/dbraw/zinc/46/96/72/631469672.db2.gz PFBOVDFYXZZZPR-LBPRGKRZSA-N 0 1 245.388 2.316 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986721 631485606 /nfs/dbraw/zinc/48/56/06/631485606.db2.gz ILULTFBDFLHXPE-VXGBXAGGSA-N 0 1 243.310 2.413 20 0 BEADMN COc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)o1 ZINC000893900757 635636841 /nfs/dbraw/zinc/63/68/41/635636841.db2.gz PVBAQSQADNBHCE-JQWIXIFHSA-N 0 1 239.315 2.145 20 0 BEADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@H]1CO ZINC000934012059 631586516 /nfs/dbraw/zinc/58/65/16/631586516.db2.gz OXIFABXGOMZPJX-CABZTGNLSA-N 0 1 225.719 2.468 20 0 BEADMN OC[C@H]1CCN1[C@H]1CCc2cc(Cl)ccc21 ZINC000934014017 631594286 /nfs/dbraw/zinc/59/42/86/631594286.db2.gz JLOOOKFUFMVYQR-YPMHNXCESA-N 0 1 237.730 2.394 20 0 BEADMN C[C@H](c1ccccc1Cl)N1CC[C@@H]1CO ZINC000934025210 631601741 /nfs/dbraw/zinc/60/17/41/631601741.db2.gz CEFLWFIGYLTPEX-NXEZZACHSA-N 0 1 225.719 2.468 20 0 BEADMN OC[C@@H]1CCN1C/C=C/c1ccc(Cl)cc1 ZINC000934015305 631608286 /nfs/dbraw/zinc/60/82/86/631608286.db2.gz WGCRFASAAPSDJK-AORQRIRUSA-N 0 1 237.730 2.420 20 0 BEADMN C[C@H](c1cccc(Cl)c1)N1CC[C@H]1CO ZINC000934027128 631608799 /nfs/dbraw/zinc/60/87/99/631608799.db2.gz PIXJOMNTUBVLCW-SKDRFNHKSA-N 0 1 225.719 2.468 20 0 BEADMN Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]2CO)c1 ZINC000934028978 631629633 /nfs/dbraw/zinc/62/96/33/631629633.db2.gz QPLNSTLWHYAYKD-CQSZACIVSA-N 0 1 249.354 2.139 20 0 BEADMN CC=C(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176308594 631661093 /nfs/dbraw/zinc/66/10/93/631661093.db2.gz NOZNJGSQSQLMSD-FPYGCLRLSA-N 0 1 247.273 2.284 20 0 BEADMN CCc1onc(C)c1C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934105921 631672511 /nfs/dbraw/zinc/67/25/11/631672511.db2.gz QQVRWVXPSUDWMK-AAEUAGOBSA-N 0 1 238.331 2.155 20 0 BEADMN CCc1onc(C)c1CN(C)[C@H]1CC[C@@H]1OC ZINC000934105921 631672516 /nfs/dbraw/zinc/67/25/16/631672516.db2.gz QQVRWVXPSUDWMK-AAEUAGOBSA-N 0 1 238.331 2.155 20 0 BEADMN CC1(C[N@@H+](CCC(=O)[O-])C2CC2)CCC1 ZINC000308917861 631721857 /nfs/dbraw/zinc/72/18/57/631721857.db2.gz OEKAZVGODROVPH-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CCCCC1(NCc2nnc(CC)[nH]2)CC1 ZINC000934204687 631733059 /nfs/dbraw/zinc/73/30/59/631733059.db2.gz GAAPZSQRPXCLBL-UHFFFAOYSA-N 0 1 222.336 2.180 20 0 BEADMN CCCCOC(=O)CN(C)[C@@H](C)CC ZINC000043447842 631792136 /nfs/dbraw/zinc/79/21/36/631792136.db2.gz WFWFGXVOZYMHFO-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ncccn1 ZINC000934381834 631814398 /nfs/dbraw/zinc/81/43/98/631814398.db2.gz AENPNCYQMZBPAZ-VXGBXAGGSA-N 0 1 247.342 2.229 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(Cl)nc1 ZINC000309069514 631832883 /nfs/dbraw/zinc/83/28/83/631832883.db2.gz CAJSNHBMSPIHTQ-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN Clc1nc2[nH]cnc2c(NC2CCCC2)n1 ZINC000039170885 631834299 /nfs/dbraw/zinc/83/42/99/631834299.db2.gz FOJLQUHXPULJHJ-UHFFFAOYSA-N 0 1 237.694 2.361 20 0 BEADMN C[C@]1(C2CC2)COCCN1CCc1ccccn1 ZINC000934475914 631872014 /nfs/dbraw/zinc/87/20/14/631872014.db2.gz QMHHUOYLHFXADG-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CSC[C@@H]2C)on1 ZINC000926406762 631891648 /nfs/dbraw/zinc/89/16/48/631891648.db2.gz LMPDPQUNEQNFTB-XHNCKOQMSA-N 0 1 242.344 2.085 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000235081533 631919046 /nfs/dbraw/zinc/91/90/46/631919046.db2.gz QRJMLDCZEAQPRE-VIFPVBQESA-N 0 1 234.299 2.010 20 0 BEADMN CCCCCCN(CC)CC(=O)OCC ZINC000050051215 631940096 /nfs/dbraw/zinc/94/00/96/631940096.db2.gz FXKIOTQZDUHOKP-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN O[C@@H]1CCN([C@@H]2CCc3ccccc32)C[C@@H]1F ZINC000934574457 631946569 /nfs/dbraw/zinc/94/65/69/631946569.db2.gz SRTKEAMAKXPWIX-BFHYXJOUSA-N 0 1 235.302 2.079 20 0 BEADMN O[C@@H]1CCN([C@H]2CCCc3ccccc32)C[C@@H]1F ZINC000934576945 631948607 /nfs/dbraw/zinc/94/86/07/631948607.db2.gz SWQFEWBCSAFWRU-SOUVJXGZSA-N 0 1 249.329 2.469 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cccc(Cl)n1 ZINC000309265532 631980687 /nfs/dbraw/zinc/98/06/87/631980687.db2.gz CAVNWBNSXNPMEV-JTQLQIEISA-N 0 1 240.734 2.080 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(C)CCC2)n1 ZINC000309319061 631990827 /nfs/dbraw/zinc/99/08/27/631990827.db2.gz ZUZYPIOVEXBSRV-QMMMGPOBSA-N 0 1 209.293 2.167 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000926453901 632074653 /nfs/dbraw/zinc/07/46/53/632074653.db2.gz VVWTVAVBVIYIRZ-YWVKMMECSA-N 0 1 238.331 2.373 20 0 BEADMN CCOc1ccc(OC)cc1NCc1cnc[nH]1 ZINC000894126664 635695462 /nfs/dbraw/zinc/69/54/62/635695462.db2.gz RHWMHIUCZIRXDE-UHFFFAOYSA-N 0 1 247.298 2.429 20 0 BEADMN Cc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000250907767 635701811 /nfs/dbraw/zinc/70/18/11/635701811.db2.gz UJCHHMAEDFENQX-AXFHLTTASA-N 0 1 221.304 2.361 20 0 BEADMN C[C@@H]1COC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC000926467438 632095119 /nfs/dbraw/zinc/09/51/19/632095119.db2.gz RNLOKEWRUIDNMR-MFKMUULPSA-N 0 1 232.327 2.407 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc[nH]1)c1cnn(C)c1 ZINC000309451554 632100119 /nfs/dbraw/zinc/10/01/19/632100119.db2.gz MRGUHDOQCDNEKP-UWVGGRQHSA-N 0 1 218.304 2.160 20 0 BEADMN CC(F)(F)CN[C@H]1CCCN2CCCC[C@@H]12 ZINC000926486318 632125976 /nfs/dbraw/zinc/12/59/76/632125976.db2.gz MXTOWSQUKDCYGF-QWRGUYRKSA-N 0 1 232.318 2.248 20 0 BEADMN CC(C)C1CN(C(=O)c2cccc(F)c2O)C1 ZINC000935064988 632433253 /nfs/dbraw/zinc/43/32/53/632433253.db2.gz VOBOSYJSASEZPY-UHFFFAOYSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@@]1(C(=O)NOC2CCCC2)C=CCC1 ZINC000935240626 632562960 /nfs/dbraw/zinc/56/29/60/632562960.db2.gz VKLAQEILNFMAGW-GFCCVEGCSA-N 0 1 209.289 2.333 20 0 BEADMN S=c1[nH]ccn1CN1CCC2(CCC2)C1 ZINC000176916168 632608828 /nfs/dbraw/zinc/60/88/28/632608828.db2.gz GXSBZEHSVJMVOC-UHFFFAOYSA-N 0 1 223.345 2.005 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](CC)CC1=O ZINC000176941505 632650173 /nfs/dbraw/zinc/65/01/73/632650173.db2.gz XGMJQFRIYSOOQM-RYUDHWBXSA-N 0 1 226.364 2.180 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000255618504 632654861 /nfs/dbraw/zinc/65/48/61/632654861.db2.gz YPPWWRSOEWIVRH-BWODNOAJSA-N 0 1 238.375 2.141 20 0 BEADMN CCOCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000924526094 632680627 /nfs/dbraw/zinc/68/06/27/632680627.db2.gz RPNMICVIESMZID-LLVKDONJSA-N 0 1 238.331 2.377 20 0 BEADMN C[C@H]1CCC[C@@H](CCNCc2cnn(C)n2)C1 ZINC000310240999 632711947 /nfs/dbraw/zinc/71/19/47/632711947.db2.gz IUNLNQZOJINLPD-RYUDHWBXSA-N 0 1 236.363 2.121 20 0 BEADMN COCCN[C@H]1COCc2cccc(Cl)c21 ZINC000924536776 632768959 /nfs/dbraw/zinc/76/89/59/632768959.db2.gz BFBDTEJWLMAJKM-NSHDSACASA-N 0 1 241.718 2.147 20 0 BEADMN O=C(CCC1CCCCCC1)Nc1c[nH]nn1 ZINC000935595440 632847164 /nfs/dbraw/zinc/84/71/64/632847164.db2.gz GVUPJKRXMYVCOU-UHFFFAOYSA-N 0 1 236.319 2.494 20 0 BEADMN O=C(Nc1c[nH]nn1)C(F)=CC1CCCCC1 ZINC000935596196 632849278 /nfs/dbraw/zinc/84/92/78/632849278.db2.gz AGDPYMCTQIGUEY-RMKNXTFCSA-N 0 1 238.266 2.177 20 0 BEADMN CC(C)[C@H](N)c1noc(C2CC=CC2)n1 ZINC000309259661 632852851 /nfs/dbraw/zinc/85/28/51/632852851.db2.gz HMKYNWGAUXWTTD-VIFPVBQESA-N 0 1 207.277 2.159 20 0 BEADMN C[C@@H](CCc1ccco1)N[C@@H](C)c1cnn(C)n1 ZINC000924563755 632876282 /nfs/dbraw/zinc/87/62/82/632876282.db2.gz NUPWKHQDBXTOEP-QWRGUYRKSA-N 0 1 248.330 2.080 20 0 BEADMN C[C@@H](NC[C@@H]1CCOC1(C)C)c1ncco1 ZINC000926726079 632885217 /nfs/dbraw/zinc/88/52/17/632885217.db2.gz GZHMFKABIOTTQX-ZJUUUORDSA-N 0 1 224.304 2.140 20 0 BEADMN CCN1CCN(Cc2cc(C)oc2C)CC1 ZINC000157429160 632910315 /nfs/dbraw/zinc/91/03/15/632910315.db2.gz MRZMBFPXYKXRNG-UHFFFAOYSA-N 0 1 222.332 2.034 20 0 BEADMN CCCSCc1nc([C@@H](N)C(C)C)no1 ZINC000309395542 633009491 /nfs/dbraw/zinc/00/94/91/633009491.db2.gz GNOROYXXBYJRPD-VIFPVBQESA-N 0 1 229.349 2.369 20 0 BEADMN CCc1cc(CN[C@@H](C)C2(Cl)CC2)[nH]n1 ZINC000925061676 635880223 /nfs/dbraw/zinc/88/02/23/635880223.db2.gz KJCMFOZGIMJNSS-QMMMGPOBSA-N 0 1 227.739 2.222 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC000840576042 633045248 /nfs/dbraw/zinc/04/52/48/633045248.db2.gz DLERTSJCPVACHU-RITPCOANSA-N 0 1 247.245 2.009 20 0 BEADMN CCc1cnc(CN[C@H]2CCC[C@@H]2OC)s1 ZINC000309488329 633171849 /nfs/dbraw/zinc/17/18/49/633171849.db2.gz WFOXPBVPGORABO-QWRGUYRKSA-N 0 1 240.372 2.363 20 0 BEADMN CCc1cnc(CN[C@@H]2CCC[C@@H]2OC)s1 ZINC000309488327 633172012 /nfs/dbraw/zinc/17/20/12/633172012.db2.gz WFOXPBVPGORABO-MNOVXSKESA-N 0 1 240.372 2.363 20 0 BEADMN C[C@@H](CCCCO)N[C@H]1CCCC1(F)F ZINC000394424209 633192142 /nfs/dbraw/zinc/19/21/42/633192142.db2.gz TWACIOWBEQNPFY-UWVGGRQHSA-N 0 1 221.291 2.315 20 0 BEADMN CCc1nnc(CNC[C@@H]2C[C@H]2C(C)C)s1 ZINC000894741632 635918732 /nfs/dbraw/zinc/91/87/32/635918732.db2.gz HZKYHAWHAUKGPH-UWVGGRQHSA-N 0 1 239.388 2.482 20 0 BEADMN C[C@H](NC[C@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926839891 633203189 /nfs/dbraw/zinc/20/31/89/633203189.db2.gz BGCXAUBXZSHLEE-ZANVPECISA-N 0 1 238.331 2.254 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928432346 635920310 /nfs/dbraw/zinc/92/03/10/635920310.db2.gz JGWXBUHZGFRXHX-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN CO[C@H](CNCc1ccccc1)C(F)(F)F ZINC000306214706 635959192 /nfs/dbraw/zinc/95/91/92/635959192.db2.gz NRVXYCJHBGNVLR-SNVBAGLBSA-N 0 1 233.233 2.354 20 0 BEADMN BrC1=CCCN(C[C@@H]2CCOC2)C1 ZINC000306226510 635959649 /nfs/dbraw/zinc/95/96/49/635959649.db2.gz VSUYGHIXODHSNP-VIFPVBQESA-N 0 1 246.148 2.007 20 0 BEADMN CC1(C)COC[C@H]1NC/C(Cl)=C/Cl ZINC000306323408 635962965 /nfs/dbraw/zinc/96/29/65/635962965.db2.gz MGZWZGBYLNPQGT-LSFDQVSLSA-N 0 1 224.131 2.320 20 0 BEADMN CC[C@](C)(O)CN1CCC=C(Br)C1 ZINC000306552708 635970234 /nfs/dbraw/zinc/97/02/34/635970234.db2.gz DQFGYZIRIOKJLB-JTQLQIEISA-N 0 1 248.164 2.132 20 0 BEADMN Cc1nc([C@@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000306771693 635975565 /nfs/dbraw/zinc/97/55/65/635975565.db2.gz RQFKXZLMMAPWMR-SCSAIBSYSA-N 0 1 243.723 2.396 20 0 BEADMN CCCC(=CC(=O)NC[C@@H]1CCN1C)CCC ZINC000928553368 636088414 /nfs/dbraw/zinc/08/84/14/636088414.db2.gz DOYLSYJVTPJCLV-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN CC(C)c1ccccc1C(=O)NC[C@@H]1CCN1C ZINC000928553180 636089074 /nfs/dbraw/zinc/08/90/74/636089074.db2.gz YIPXLACBQLUIIE-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN CC[C@H](CCO)N[C@@H]1CCCc2oc(C)nc21 ZINC000925118750 636099483 /nfs/dbraw/zinc/09/94/83/636099483.db2.gz BGOYSLIQRDKYJI-GHMZBOCLSA-N 0 1 238.331 2.111 20 0 BEADMN CC[C@H](C)CCCCC(=O)NC[C@H]1CCN1C ZINC000928560228 636106131 /nfs/dbraw/zinc/10/61/31/636106131.db2.gz QZCOEPQSGKWGRR-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)NC[C@H]1CCN1C ZINC000928560825 636106378 /nfs/dbraw/zinc/10/63/78/636106378.db2.gz WHQMZGKREWKWJX-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)CCCCCC(=O)NC[C@@H]1CCN1C ZINC000928562770 636110380 /nfs/dbraw/zinc/11/03/80/636110380.db2.gz HWSWSFYBYKDIDX-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CCCc1ccc(C(=O)NC[C@H]2CCN2C)cc1 ZINC000928562253 636110504 /nfs/dbraw/zinc/11/05/04/636110504.db2.gz CHIAVNBNKJUUPE-CQSZACIVSA-N 0 1 246.354 2.073 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@@H]1CCN1C ZINC000928569997 636115798 /nfs/dbraw/zinc/11/57/98/636115798.db2.gz PLXAHNSZIHSCHJ-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC1CCCCC1 ZINC000895439281 636142784 /nfs/dbraw/zinc/14/27/84/636142784.db2.gz AJTPSPMBUMYDBJ-GFCCVEGCSA-N 0 1 238.375 2.308 20 0 BEADMN CS[C@@H]1CCN([C@H](C)c2snnc2C)C1 ZINC000930609869 633933448 /nfs/dbraw/zinc/93/34/48/633933448.db2.gz NFZGEGMOBGZLTP-RKDXNWHRSA-N 0 1 243.401 2.345 20 0 BEADMN CCc1cc(CNc2cc(C)ccn2)n[nH]1 ZINC000309954826 633975646 /nfs/dbraw/zinc/97/56/46/633975646.db2.gz HUYWYXKUIACEIW-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CCc1cc(CNc2ccc(F)cn2)n[nH]1 ZINC000309953344 633976401 /nfs/dbraw/zinc/97/64/01/633976401.db2.gz HAYVZMNIISWHMO-UHFFFAOYSA-N 0 1 220.251 2.118 20 0 BEADMN CCc1onc(C)c1NCc1cn[nH]c1C ZINC000309663647 633984143 /nfs/dbraw/zinc/98/41/43/633984143.db2.gz SJFMSGSPJUCUQU-UHFFFAOYSA-N 0 1 220.276 2.189 20 0 BEADMN CCc1cc(CNCc2occc2C)[nH]n1 ZINC000309964346 633993022 /nfs/dbraw/zinc/99/30/22/633993022.db2.gz MUMKLUHYHFJEES-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN Cc1cc(CN[C@@H](CO)CC(F)F)c(C)o1 ZINC000309848518 634029471 /nfs/dbraw/zinc/02/94/71/634029471.db2.gz HYMTXJZZWFKVHG-SNVBAGLBSA-N 0 1 233.258 2.002 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H]2CCC=CO2)no1 ZINC000309871229 634033015 /nfs/dbraw/zinc/03/30/15/634033015.db2.gz QTKXQHRSYOSKTL-MNOVXSKESA-N 0 1 222.288 2.326 20 0 BEADMN FC[C@H]1CCN(Cc2ccnn2CC2CC2)C1 ZINC000895568289 636159330 /nfs/dbraw/zinc/15/93/30/636159330.db2.gz NXAOCDVEYVDRJA-GFCCVEGCSA-N 0 1 237.322 2.085 20 0 BEADMN CC1(NC/C=C\c2cccc(F)c2)COC1 ZINC000895445223 636144863 /nfs/dbraw/zinc/14/48/63/636144863.db2.gz YEZLMABLIFIXAV-HYXAFXHYSA-N 0 1 221.275 2.217 20 0 BEADMN C[C@H](NCC1(C2CC2)CC1)c1cc(CO)on1 ZINC000925612625 634152406 /nfs/dbraw/zinc/15/24/06/634152406.db2.gz MUCKNTXASYMUHC-VIFPVBQESA-N 0 1 236.315 2.008 20 0 BEADMN CC[C@](C)(C[N@H+]1CCCCC[C@H]1C(=O)[O-])OC ZINC000319418761 634269354 /nfs/dbraw/zinc/26/93/54/634269354.db2.gz IAXQWGVGUIFDFI-WCQYABFASA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC000193800745 634292124 /nfs/dbraw/zinc/29/21/24/634292124.db2.gz LNTDAFMCCCXJLS-XQQFMLRXSA-N 0 1 225.332 2.178 20 0 BEADMN Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@H](C)C(C)(C)C)C2 ZINC000931311524 634327650 /nfs/dbraw/zinc/32/76/50/634327650.db2.gz IZTUTXBUUPHFLF-VIFPVBQESA-N 0 1 249.358 2.488 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)C(F)F ZINC000194811406 634335225 /nfs/dbraw/zinc/33/52/25/634335225.db2.gz FAUMUAKNCAHDLU-UHFFFAOYSA-N 0 1 221.590 2.249 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000258949382 635228072 /nfs/dbraw/zinc/22/80/72/635228072.db2.gz URSOYBYNODUPKS-QWHCGFSZSA-N 0 1 233.311 2.148 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000076015420 635382528 /nfs/dbraw/zinc/38/25/28/635382528.db2.gz WPTVLMMODWJBFK-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)[C@H]1C[C@@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925862617 635561260 /nfs/dbraw/zinc/56/12/60/635561260.db2.gz WAQHHRICFYRDIK-KCPJHIHWSA-N 0 1 246.354 2.364 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925865321 635562820 /nfs/dbraw/zinc/56/28/20/635562820.db2.gz NZCIQFYMUROHJB-JTNHKYCSSA-N 0 1 232.327 2.118 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC000895874478 636179384 /nfs/dbraw/zinc/17/93/84/636179384.db2.gz HIDFKIGWPWTAOC-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)[C@@H]1CCCN1C ZINC000909566015 636254599 /nfs/dbraw/zinc/25/45/99/636254599.db2.gz GKSDOMLNPQJOSK-OBJOEFQTSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C[C@H](C)CO)N[C@@H](C)c1ncco1 ZINC000925186607 636363512 /nfs/dbraw/zinc/36/35/12/636363512.db2.gz FINTURKMPNPUDI-GARJFASQSA-N 0 1 226.320 2.122 20 0 BEADMN COC(OC)[C@H](C)NCc1ccc(F)c(F)c1 ZINC000079585214 636444124 /nfs/dbraw/zinc/44/41/24/636444124.db2.gz QKTZJTXNQJWASK-QMMMGPOBSA-N 0 1 245.269 2.062 20 0 BEADMN CC[C@@H]1CC[C@@H]1NCc1noc2c1COCC2 ZINC000897366704 636496193 /nfs/dbraw/zinc/49/61/93/636496193.db2.gz ORVVFPZBFXDDHK-KOLCDFICSA-N 0 1 236.315 2.026 20 0 BEADMN CCc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000049962193 636533705 /nfs/dbraw/zinc/53/37/05/636533705.db2.gz BLDCGIBKWRCSKL-LLVKDONJSA-N 0 1 235.327 2.402 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC(C)(C)/C=C/Cl ZINC000928934704 636544001 /nfs/dbraw/zinc/54/40/01/636544001.db2.gz WHGCNMDAYVTMSN-JARNTUPDSA-N 0 1 244.766 2.118 20 0 BEADMN CC[C@H](C(=O)OCC(C)(F)F)N(CC)CC ZINC000861223005 636592515 /nfs/dbraw/zinc/59/25/15/636592515.db2.gz IULBIBTUKYZRHN-SECBINFHSA-N 0 1 237.290 2.305 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000321580093 636654547 /nfs/dbraw/zinc/65/45/47/636654547.db2.gz OHKJJXYZUMHLLE-YNEHKIRRSA-N 0 1 249.310 2.273 20 0 BEADMN CC[C@@H](O)CCN[C@H]1CCCc2oc(C)nc21 ZINC000925282425 636710646 /nfs/dbraw/zinc/71/06/46/636710646.db2.gz OMRMFLVLRHPNNQ-MNOVXSKESA-N 0 1 238.331 2.111 20 0 BEADMN Nc1nc2c(c(NC/C=C/Cl)n1)CCCC2 ZINC000897504770 636729017 /nfs/dbraw/zinc/72/90/17/636729017.db2.gz ZJVZZLLFHPWECK-ZZXKWVIFSA-N 0 1 238.722 2.102 20 0 BEADMN CSC[C@@H](C)Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000127726440 636771266 /nfs/dbraw/zinc/77/12/66/636771266.db2.gz ILVWRAYYDXCQDE-SSDOTTSWSA-N 0 1 240.328 2.252 20 0 BEADMN CCC[C@H](O)CCCSCCc1c[nH]nn1 ZINC000865379322 636813891 /nfs/dbraw/zinc/81/38/91/636813891.db2.gz PPJAWUDOXBEUCA-NSHDSACASA-N 0 1 243.376 2.022 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCCC1(C)CC1 ZINC000897614971 636826105 /nfs/dbraw/zinc/82/61/05/636826105.db2.gz NJQLXPQVOWHPMQ-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CN(CCCc2cccnc2)[C@@H](C)CO1 ZINC000929183043 636919754 /nfs/dbraw/zinc/91/97/54/636919754.db2.gz RNYOURXKSSYYOM-STQMWFEESA-N 0 1 234.343 2.123 20 0 BEADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cn1 ZINC000041123330 636968726 /nfs/dbraw/zinc/96/87/26/636968726.db2.gz CVDDDSARNALCRG-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@H]1CCCN1C(C)C ZINC000923890935 637004334 /nfs/dbraw/zinc/00/43/34/637004334.db2.gz IIHFUCBCPHARLG-VXGBXAGGSA-N 0 1 227.348 2.447 20 0 BEADMN CSCCCOC(=O)[C@@H]1CCCN1C(C)C ZINC000923890824 637004861 /nfs/dbraw/zinc/00/48/61/637004861.db2.gz UWLRRSLZAFBAEU-NSHDSACASA-N 0 1 245.388 2.156 20 0 BEADMN COc1ccccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000042162699 637077421 /nfs/dbraw/zinc/07/74/21/637077421.db2.gz QEIWRFLSAZAKNG-LBPRGKRZSA-N 0 1 249.310 2.134 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1cn(CC)nn1 ZINC000899885480 637147432 /nfs/dbraw/zinc/14/74/32/637147432.db2.gz BLOWSXJYNXMXRD-WCQYABFASA-N 0 1 236.363 2.451 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000900822696 637193014 /nfs/dbraw/zinc/19/30/14/637193014.db2.gz GGUVMROEXUOXBP-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN CC1(C)CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000901025984 637226816 /nfs/dbraw/zinc/22/68/16/637226816.db2.gz MAKRRZWTGUGISR-LLVKDONJSA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000901029260 637229915 /nfs/dbraw/zinc/22/99/15/637229915.db2.gz MKOBYWKLXNZHIG-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)c1ccc(F)cc1 ZINC000901427308 637251742 /nfs/dbraw/zinc/25/17/42/637251742.db2.gz YMFFCKIZUPWWAY-SNVBAGLBSA-N 0 1 239.290 2.336 20 0 BEADMN CC[N@@H+](C/C=C\c1ccccc1OC)CC(=O)[O-] ZINC000901427285 637251911 /nfs/dbraw/zinc/25/19/11/637251911.db2.gz XOLFOUOUJNOODS-VURMDHGXSA-N 0 1 249.310 2.115 20 0 BEADMN COCC(C)(C)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000901591471 637264174 /nfs/dbraw/zinc/26/41/74/637264174.db2.gz ABJCKPAFLZKYQZ-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000042493558 637274012 /nfs/dbraw/zinc/27/40/12/637274012.db2.gz ALWBVYGSONCQFT-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CNc1ccccc1CN[C@@H](C)c1cnn(C)c1 ZINC000902267103 637288638 /nfs/dbraw/zinc/28/86/38/637288638.db2.gz CHEYNCPOMKBUDY-NSHDSACASA-N 0 1 244.342 2.313 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000903598683 637375381 /nfs/dbraw/zinc/37/53/81/637375381.db2.gz XDUXCZINFCLPOM-FIQHERPVSA-N 0 1 227.348 2.464 20 0 BEADMN CCn1cnc(CNC[C@@H]2C(C)(C)C2(F)F)c1 ZINC000904442563 637411202 /nfs/dbraw/zinc/41/12/02/637411202.db2.gz VAVKFUSITYHELH-SNVBAGLBSA-N 0 1 243.301 2.284 20 0 BEADMN C[C@H](c1noc(C23CCC(CC2)N3)n1)C1CC1 ZINC000904633580 637447396 /nfs/dbraw/zinc/44/73/96/637447396.db2.gz KMGLPTKVJURYDA-LUHBLDKBSA-N 0 1 233.315 2.324 20 0 BEADMN c1cc(-c2cnc([C@H]3CCCCN3)nc2)c[nH]1 ZINC000904843610 637502113 /nfs/dbraw/zinc/50/21/13/637502113.db2.gz MVVYBEKMSLXEHZ-GFCCVEGCSA-N 0 1 228.299 2.286 20 0 BEADMN Cc1csc2ncnc(NC[C@H]3CCN3C)c12 ZINC000905015387 637547037 /nfs/dbraw/zinc/54/70/37/637547037.db2.gz UMVJKBATFJGEKU-SECBINFHSA-N 0 1 248.355 2.116 20 0 BEADMN CCN(CC)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000905038146 637555790 /nfs/dbraw/zinc/55/57/90/637555790.db2.gz LBERYDOLWVHAIV-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN O[C@H](CNC/C=C/Cl)c1c(F)cccc1F ZINC000905709034 637891983 /nfs/dbraw/zinc/89/19/83/637891983.db2.gz VHIUSTPTYMSCAY-JYBNPQIESA-N 0 1 247.672 2.340 20 0 BEADMN CC[C@H](C)CCNCc1cc(COC)on1 ZINC000668487885 637931017 /nfs/dbraw/zinc/93/10/17/637931017.db2.gz XHJWGJORRFJEIB-JTQLQIEISA-N 0 1 226.320 2.347 20 0 BEADMN CC(C)=CCn1cc(CN(C)C(C)(C)C)nn1 ZINC000905788479 637938515 /nfs/dbraw/zinc/93/85/15/637938515.db2.gz TYPPXEKDXBCFMC-UHFFFAOYSA-N 0 1 236.363 2.475 20 0 BEADMN CNC(C)(C)c1cn(CCCC(C)(F)F)nn1 ZINC000905826565 637946285 /nfs/dbraw/zinc/94/62/85/637946285.db2.gz SDMNDWISQBPKSJ-UHFFFAOYSA-N 0 1 246.305 2.168 20 0 BEADMN CNCc1ncc(-c2ccc(C)c(C)c2)cn1 ZINC000906171537 638085308 /nfs/dbraw/zinc/08/53/08/638085308.db2.gz IHNZBJAEBMSEDP-UHFFFAOYSA-N 0 1 227.311 2.480 20 0 BEADMN CCc1ccc(-c2cnc(CNC)nc2)cc1 ZINC000906162258 638100549 /nfs/dbraw/zinc/10/05/49/638100549.db2.gz YUMLXKYEERMKLW-UHFFFAOYSA-N 0 1 227.311 2.425 20 0 BEADMN CCn1cc(-c2ccc3n[nH]c(C)c3c2)nn1 ZINC000906204455 638106327 /nfs/dbraw/zinc/10/63/27/638106327.db2.gz AHQIRILRLOUCCG-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cn(C3CC3)nn2)C1 ZINC000906253522 638119897 /nfs/dbraw/zinc/11/98/97/638119897.db2.gz AAQRUYARNUPOKW-GHMZBOCLSA-N 0 1 234.347 2.091 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906272512 638125052 /nfs/dbraw/zinc/12/50/52/638125052.db2.gz MRRRZGAPNFFVIJ-MNOVXSKESA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H](N(C)Cc1cn(C2CC2)nn1)C1(C)CC1 ZINC000906274893 638126175 /nfs/dbraw/zinc/12/61/75/638126175.db2.gz ZJPAXTKKJKYYKG-JTQLQIEISA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H](N(C)Cc1cn(C2CC2)nn1)C(C)(C)C ZINC000906259801 638129401 /nfs/dbraw/zinc/12/94/01/638129401.db2.gz GZSYWWSNMKCZNM-SNVBAGLBSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906266980 638131004 /nfs/dbraw/zinc/13/10/04/638131004.db2.gz WROYTOLHMFOLQK-NSHDSACASA-N 0 1 234.347 2.378 20 0 BEADMN C[C@H]1CCCCCN1Cc1cn(C2CC2)nn1 ZINC000906266980 638131008 /nfs/dbraw/zinc/13/10/08/638131008.db2.gz WROYTOLHMFOLQK-NSHDSACASA-N 0 1 234.347 2.378 20 0 BEADMN c1c(CN2CCC[C@@H]3CCC[C@H]32)nnn1C1CC1 ZINC000906269070 638132785 /nfs/dbraw/zinc/13/27/85/638132785.db2.gz DNYJBTXWVMVQIX-SMDDNHRTSA-N 0 1 246.358 2.378 20 0 BEADMN c1c(CN(CC2CC2)C2CCC2)nnn1C1CC1 ZINC000906299395 638136751 /nfs/dbraw/zinc/13/67/51/638136751.db2.gz GTEBXSVGBKULEG-UHFFFAOYSA-N 0 1 246.358 2.378 20 0 BEADMN C[C@@H]1CCC(C)(C)N1Cc1cn(C2CC2)nn1 ZINC000906309432 638139420 /nfs/dbraw/zinc/13/94/20/638139420.db2.gz KHAPMJXMAWOONA-SNVBAGLBSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906320737 638142722 /nfs/dbraw/zinc/14/27/22/638142722.db2.gz MXGILQKWRRXSNP-OUAUKWLOSA-N 0 1 234.347 2.089 20 0 BEADMN CCCCNc1cnn(-c2ccncc2)c1 ZINC000906528034 638192740 /nfs/dbraw/zinc/19/27/40/638192740.db2.gz SHJWFAYBRODGAD-UHFFFAOYSA-N 0 1 216.288 2.479 20 0 BEADMN CCCC[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000906532034 638199395 /nfs/dbraw/zinc/19/93/95/638199395.db2.gz WXTZZDDVXIUASA-CHWSQXEVSA-N 0 1 209.333 2.430 20 0 BEADMN CC[C@H](NC(=O)C=C(C)Cl)c1ncc[nH]1 ZINC000907436716 638382095 /nfs/dbraw/zinc/38/20/95/638382095.db2.gz WRKCVFQYMZBGPT-CZEYKFRCSA-N 0 1 227.695 2.120 20 0 BEADMN CC[C@H](NC(=O)C=C(C)Cl)c1ncc[nH]1 ZINC000907436719 638382293 /nfs/dbraw/zinc/38/22/93/638382293.db2.gz WRKCVFQYMZBGPT-UAPHAKCISA-N 0 1 227.695 2.120 20 0 BEADMN CC(C)C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000907526762 638395927 /nfs/dbraw/zinc/39/59/27/638395927.db2.gz SROKFSHNAQHKON-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC000907629600 638424282 /nfs/dbraw/zinc/42/42/82/638424282.db2.gz FYUCKLLJHQOHHQ-WDEREUQCSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@H]1C ZINC000907924209 638513725 /nfs/dbraw/zinc/51/37/25/638513725.db2.gz IFQZJLKBUGDAFS-WOPDTQHZSA-N 0 1 249.358 2.141 20 0 BEADMN Cc1ccc2nc(NC(=O)CCF)[nH]c2c1 ZINC000908362682 638668568 /nfs/dbraw/zinc/66/85/68/638668568.db2.gz ZJWPNQBKSTULKI-UHFFFAOYSA-N 0 1 221.235 2.169 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC000908558081 639013939 /nfs/dbraw/zinc/01/39/39/639013939.db2.gz MVZUIXYQRMEVIN-RKDXNWHRSA-N 0 1 239.294 2.105 20 0 BEADMN CCCC=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908698390 639048103 /nfs/dbraw/zinc/04/81/03/639048103.db2.gz XXWBSNYEJZIZBV-XBXARRHUSA-N 0 1 230.271 2.253 20 0 BEADMN CC(C(=O)Nc1cccc2[nH]nnc21)=C1CCC1 ZINC000908699100 639048293 /nfs/dbraw/zinc/04/82/93/639048293.db2.gz FRFKAPGARRXYJG-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN Nc1cccc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000149764400 639118930 /nfs/dbraw/zinc/11/89/30/639118930.db2.gz RNMQFZAIROCESM-NSHDSACASA-N 0 1 244.298 2.133 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)/C=C(/C)Cl)CC1 ZINC000909262452 639188009 /nfs/dbraw/zinc/18/80/09/639188009.db2.gz SXQWCIXPGCJIPN-JUDLJHIGSA-N 0 1 244.766 2.072 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccsc1 ZINC000037474685 711467310 /nfs/dbraw/zinc/46/73/10/711467310.db2.gz CTROUDYTHJFPDK-SECBINFHSA-N 0 1 227.329 2.433 20 0 BEADMN CCN(C)[C@H](C(=O)N1CC=CC1)c1ccccc1 ZINC000910007974 639321139 /nfs/dbraw/zinc/32/11/39/639321139.db2.gz VBUSCZBEHVUWHV-AWEZNQCLSA-N 0 1 244.338 2.078 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cn1c2ccccc2oc1=O ZINC000174951501 639460316 /nfs/dbraw/zinc/46/03/16/639460316.db2.gz FDOVGTBAJORIDF-WDEREUQCSA-N 0 1 246.310 2.282 20 0 BEADMN Cc1cc(C)nc(CN2CCOCC[C@H]2C)c1 ZINC000930234429 639643881 /nfs/dbraw/zinc/64/38/81/639643881.db2.gz AETDHAUVLBZUQI-CYBMUJFWSA-N 0 1 234.343 2.309 20 0 BEADMN CC[C@@H](CO)N1CCc2cc(Cl)ccc2C1 ZINC000930256137 639666010 /nfs/dbraw/zinc/66/60/10/639666010.db2.gz JTHIABKVHMWUKD-ZDUSSCGKSA-N 0 1 239.746 2.469 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)C(C)(C)C)C1 ZINC000911592730 639680246 /nfs/dbraw/zinc/68/02/46/639680246.db2.gz VBAIMHXWBMNKCL-KOLCDFICSA-N 0 1 249.358 2.333 20 0 BEADMN CC1=CCCN(Cc2cnn(CCF)c2)C1 ZINC000930307441 639693573 /nfs/dbraw/zinc/69/35/73/639693573.db2.gz SLPMATGNHCKUGF-UHFFFAOYSA-N 0 1 223.295 2.005 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cc(C)nnc2C)[C@@H](C)C1 ZINC000930322926 639704380 /nfs/dbraw/zinc/70/43/80/639704380.db2.gz LPBDJULUZQUUMA-SMDDNHRTSA-N 0 1 249.358 2.093 20 0 BEADMN FC1(F)[C@@H]2C[C@@H](CN3CCOCC34CC4)C[C@@H]21 ZINC000930359869 639729735 /nfs/dbraw/zinc/72/97/35/639729735.db2.gz GDMRVXDQWXCPFQ-RTCCRHLQSA-N 0 1 243.297 2.143 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccccc1O ZINC000930373107 639734529 /nfs/dbraw/zinc/73/45/29/639734529.db2.gz HJCGTYRRXZOFQX-GFCCVEGCSA-N 0 1 248.326 2.204 20 0 BEADMN CCOC[C@@H](N[C@H](C)c1ncccn1)C(C)C ZINC000930436086 639751699 /nfs/dbraw/zinc/75/16/99/639751699.db2.gz XIYLODUCWQCYPK-VXGBXAGGSA-N 0 1 237.347 2.188 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1c(F)cncc1F ZINC000930455214 639758481 /nfs/dbraw/zinc/75/84/81/639758481.db2.gz IKQZEFJTSLMJHC-HQJQHLMTSA-N 0 1 244.310 2.201 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC(F)(F)[C@@H](C)C1 ZINC000930512024 639791603 /nfs/dbraw/zinc/79/16/03/639791603.db2.gz AXIDYVLUKSRMDH-ZKXNXJMVSA-N 0 1 247.285 2.083 20 0 BEADMN Cc1cccc([C@@H](O)CN(C(C)C)C2COC2)c1 ZINC000930594648 639815937 /nfs/dbraw/zinc/81/59/37/639815937.db2.gz KDXLXWVXIXNGSJ-HNNXBMFYSA-N 0 1 249.354 2.138 20 0 BEADMN CC1(C)CC[C@H]1NCc1noc2c1COCC2 ZINC000930630358 639831634 /nfs/dbraw/zinc/83/16/34/639831634.db2.gz AYCGZULYDYTPEM-GFCCVEGCSA-N 0 1 236.315 2.026 20 0 BEADMN CC[C@@H](CO)N1CCc2cccc(Cl)c2C1 ZINC000930698971 639866571 /nfs/dbraw/zinc/86/65/71/639866571.db2.gz CNEYGEASRMESEA-NSHDSACASA-N 0 1 239.746 2.469 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@H](C)c2ncccn2)C12CCC2 ZINC000930699790 639866846 /nfs/dbraw/zinc/86/68/46/639866846.db2.gz MAXLLDVZUPUSSQ-IJLUTSLNSA-N 0 1 247.342 2.085 20 0 BEADMN CCC(C)(C)NC(=O)c1ccc2n1CCN[C@H]2C ZINC000911956522 639903285 /nfs/dbraw/zinc/90/32/85/639903285.db2.gz MDWZYYANPUXMOD-JTQLQIEISA-N 0 1 249.358 2.071 20 0 BEADMN COC/C(C)=C\CN1C[C@@H](C)OC2(CCC2)C1 ZINC000930828469 639929782 /nfs/dbraw/zinc/92/97/82/639929782.db2.gz YOBGQVFKLJAMBF-QWGHSUKYSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccc(O)c2)[C@H](C(=O)[O-])C1 ZINC000129401316 639994440 /nfs/dbraw/zinc/99/44/40/639994440.db2.gz YQBFQECGURHJNB-GWCFXTLKSA-N 0 1 249.310 2.077 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)c(C)nn1 ZINC000931021492 640026504 /nfs/dbraw/zinc/02/65/04/640026504.db2.gz KTLHFZKIDHXSDB-NEPJUHHUSA-N 0 1 249.358 2.093 20 0 BEADMN CCc1nc(CSCc2cnc(C)o2)n[nH]1 ZINC000912430667 640058651 /nfs/dbraw/zinc/05/86/51/640058651.db2.gz SJTAMMKRGBBLNY-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN Cc1nc([C@@H](C)SCc2cnc(C)o2)n[nH]1 ZINC000912433505 640059257 /nfs/dbraw/zinc/05/92/57/640059257.db2.gz NHAPXHUNDFLVOZ-ZCFIWIBFSA-N 0 1 238.316 2.404 20 0 BEADMN Cc1cc(C(=O)N2CC=CC23CCCCC3)n[nH]1 ZINC000912477051 640091563 /nfs/dbraw/zinc/09/15/63/640091563.db2.gz ABMJDPSFBYLTIQ-UHFFFAOYSA-N 0 1 245.326 2.433 20 0 BEADMN CC[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC000912514646 640102956 /nfs/dbraw/zinc/10/29/56/640102956.db2.gz OSSGLKKWIYZJHP-AWEZNQCLSA-N 0 1 238.375 2.166 20 0 BEADMN COC/C(C)=C/CN1CCc2c(O)cccc2C1 ZINC000931262215 640121844 /nfs/dbraw/zinc/12/18/44/640121844.db2.gz OJIKHEONUOKHMT-WUXMJOGZSA-N 0 1 247.338 2.343 20 0 BEADMN CCCCN1CCN(Cc2cncs2)CC1 ZINC000931361363 640170281 /nfs/dbraw/zinc/17/02/81/640170281.db2.gz GTFSJDDFGUVYLK-UHFFFAOYSA-N 0 1 239.388 2.061 20 0 BEADMN O=C(NCCC1CCC1)c1[nH]nc2c1CCCC2 ZINC000150897781 640177149 /nfs/dbraw/zinc/17/71/49/640177149.db2.gz OXBYCAPOHCOEGE-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H]1CN(C/C=C/Cl)Cc2c[nH]nc21 ZINC000931456546 640212582 /nfs/dbraw/zinc/21/25/82/640212582.db2.gz WAKYPVBVCBAXQF-UFUPEUMYSA-N 0 1 211.696 2.081 20 0 BEADMN Cc1cc(CN2Cc3c[nH]nc3[C@H](C)C2)ccn1 ZINC000931465166 640222584 /nfs/dbraw/zinc/22/25/84/640222584.db2.gz FRYRNULOTTWHCW-SNVBAGLBSA-N 0 1 242.326 2.232 20 0 BEADMN CC(C)COCCN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931463877 640224881 /nfs/dbraw/zinc/22/48/81/640224881.db2.gz WWPAWYKBMDBPBD-NSHDSACASA-N 0 1 237.347 2.001 20 0 BEADMN CCc1ncc(CN2C[C@@H](OC)CC[C@H]2C)o1 ZINC000931475381 640230840 /nfs/dbraw/zinc/23/08/40/640230840.db2.gz SMTGKINOEUYEHY-MNOVXSKESA-N 0 1 238.331 2.236 20 0 BEADMN CCC(C)(CC)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912908588 640234639 /nfs/dbraw/zinc/23/46/39/640234639.db2.gz BBPYTGCYVLJHNW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912911709 640235952 /nfs/dbraw/zinc/23/59/52/640235952.db2.gz NKKRVNLPGZUPJK-HHQWOOOKSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]2CSC[C@H]2C1 ZINC000931547727 640265396 /nfs/dbraw/zinc/26/53/96/640265396.db2.gz FVGIHTKYHWLIHL-IJLUTSLNSA-N 0 1 249.383 2.223 20 0 BEADMN CC(C)(C)/C=C/C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912966057 640267096 /nfs/dbraw/zinc/26/70/96/640267096.db2.gz PBZPWQYNGLJAEZ-FGEFZZPRSA-N 0 1 248.330 2.071 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1ccnn1C ZINC000931559454 640273248 /nfs/dbraw/zinc/27/32/48/640273248.db2.gz FZGLRRXQWLIJBM-VHSXEESVSA-N 0 1 248.305 2.366 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc(F)nc1 ZINC000931559457 640273817 /nfs/dbraw/zinc/27/38/17/640273817.db2.gz FZGLRRXQWLIJBM-ZJUUUORDSA-N 0 1 248.305 2.366 20 0 BEADMN CCC(NC(=O)Cc1cnc[nH]1)(C1CC1)C1CC1 ZINC000912996435 640277728 /nfs/dbraw/zinc/27/77/28/640277728.db2.gz PARONJRCSGWMMW-UHFFFAOYSA-N 0 1 247.342 2.037 20 0 BEADMN FCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931678275 640310525 /nfs/dbraw/zinc/31/05/25/640310525.db2.gz WBJHSHXNOVGPQY-UHFFFAOYSA-N 0 1 223.295 2.007 20 0 BEADMN C[C@H](c1ncccn1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931753960 640349106 /nfs/dbraw/zinc/34/91/06/640349106.db2.gz WZQIYXSLWJYWNQ-JHJVBQTASA-N 0 1 247.342 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931753960 640349110 /nfs/dbraw/zinc/34/91/10/640349110.db2.gz WZQIYXSLWJYWNQ-JHJVBQTASA-N 0 1 247.342 2.039 20 0 BEADMN CCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931797880 640371455 /nfs/dbraw/zinc/37/14/55/640371455.db2.gz HOEKJIVZMGZDEM-CQSZACIVSA-N 0 1 227.311 2.377 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)n[nH]1 ZINC000931927146 640392314 /nfs/dbraw/zinc/39/23/14/640392314.db2.gz QHBJNVHKEVUGDC-DZGCQCFKSA-N 0 1 239.322 2.183 20 0 BEADMN CCCCC1(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000932071746 640418895 /nfs/dbraw/zinc/41/88/95/640418895.db2.gz RFZXYVSPOHELGO-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN FC(F)(F)[C@H]1CN(CC2CC2)CCS1 ZINC000932081524 640422412 /nfs/dbraw/zinc/42/24/12/640422412.db2.gz WKJQUZLQCXBNFL-MRVPVSSYSA-N 0 1 225.279 2.376 20 0 BEADMN Cn1ccc([C@H]2CCCN(C/C=C/Cl)C2)n1 ZINC000932138787 640438804 /nfs/dbraw/zinc/43/88/04/640438804.db2.gz YJOXIJKAKXTHJB-GQOHGMTASA-N 0 1 239.750 2.352 20 0 BEADMN COC/C(C)=C/CN1CCC[C@@H]1c1ccnn1C ZINC000932259887 640459149 /nfs/dbraw/zinc/45/91/49/640459149.db2.gz BFWYNMBAKFTPJJ-WEKMIXOTSA-N 0 1 249.358 2.150 20 0 BEADMN C[C@H]1CCN(CCC(F)(F)F)CCO1 ZINC000932339192 640480889 /nfs/dbraw/zinc/48/08/89/640480889.db2.gz PGFDBFLJQGGODB-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1ccc(CN2CCO[C@@H](C)CC2)c(C)n1 ZINC000932339692 640484222 /nfs/dbraw/zinc/48/42/22/640484222.db2.gz ZMVOBEIFIGBDPN-LBPRGKRZSA-N 0 1 234.343 2.309 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)cc2)CCO1 ZINC000932346428 640487409 /nfs/dbraw/zinc/48/74/09/640487409.db2.gz HZFRRTDRJBKTOE-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN CCc1noc(C)c1CN1CCO[C@@H](C)CC1 ZINC000932346977 640491441 /nfs/dbraw/zinc/49/14/41/640491441.db2.gz SXXUYSZIOGYMMK-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000932355436 640496697 /nfs/dbraw/zinc/49/66/97/640496697.db2.gz FGQKGSSDLHBSHN-YNEHKIRRSA-N 0 1 247.342 2.085 20 0 BEADMN CSCCCN[C@H](c1ncccn1)C1CC1 ZINC000932359999 640499128 /nfs/dbraw/zinc/49/91/28/640499128.db2.gz KRGFTFRKNMRSQQ-NSHDSACASA-N 0 1 237.372 2.270 20 0 BEADMN CC(C)(C)CCN1CC(NC(=O)CC2CC2)C1 ZINC001030044693 640540714 /nfs/dbraw/zinc/54/07/14/640540714.db2.gz DPTGASYVNBVSEC-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(F)c(CN[C@@H]2COC[C@H]2C)c1F ZINC000932486495 640552822 /nfs/dbraw/zinc/55/28/22/640552822.db2.gz ACWOMXPMXQASGU-BXKDBHETSA-N 0 1 241.281 2.398 20 0 BEADMN CC(C)CN1CC(NC(=O)C2CCCCC2)C1 ZINC001030064363 640566298 /nfs/dbraw/zinc/56/62/98/640566298.db2.gz CYCACHYRRPYLCP-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)CCC[N@@H+](CCC(=O)[O-])C1CC1 ZINC000165503869 640582732 /nfs/dbraw/zinc/58/27/32/640582732.db2.gz KERXINUQLUEYIO-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nccnc1CN1CCC(F)(C2CC2)CC1 ZINC000932629130 640589741 /nfs/dbraw/zinc/58/97/41/640589741.db2.gz OTPHOKMJCZGTEG-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN COc1cc(CNCc2ccsc2)ccn1 ZINC000057395243 640606085 /nfs/dbraw/zinc/60/60/85/640606085.db2.gz DUONFDYODXQNNS-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN CCc1ccc(-c2cc(CN)on2)cc1 ZINC000057491155 640612350 /nfs/dbraw/zinc/61/23/50/640612350.db2.gz DYVRLMNQJIODRU-UHFFFAOYSA-N 0 1 202.257 2.363 20 0 BEADMN CC[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000166764592 640671125 /nfs/dbraw/zinc/67/11/25/640671125.db2.gz WLOPYMSJYWRAGR-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCC(C)(C)C ZINC000933158973 640671440 /nfs/dbraw/zinc/67/14/40/640671440.db2.gz DJVCHBLFFMLRPC-RISCZKNCSA-N 0 1 239.359 2.450 20 0 BEADMN CCN([C@H]1C=CCCC1)C(C)(C)C(=O)OC ZINC000933190953 640676279 /nfs/dbraw/zinc/67/62/79/640676279.db2.gz QPAFYPUCBQUISB-NSHDSACASA-N 0 1 225.332 2.369 20 0 BEADMN CC(C)C(=O)CCN1CCOC[C@H]1CC1CC1 ZINC000933212287 640679310 /nfs/dbraw/zinc/67/93/10/640679310.db2.gz GENFKODNZVAEMV-CYBMUJFWSA-N 0 1 239.359 2.103 20 0 BEADMN CCn1cnc2c1CCN([C@H](C)C1CC1)C2 ZINC000933253775 640689355 /nfs/dbraw/zinc/68/93/55/640689355.db2.gz SFXJLKUEUNYLCW-SNVBAGLBSA-N 0 1 219.332 2.060 20 0 BEADMN CCCc1ccccc1C(=O)NCc1cnc[nH]1 ZINC000933265922 640694749 /nfs/dbraw/zinc/69/47/49/640694749.db2.gz KRHIGYZIZNNSJF-UHFFFAOYSA-N 0 1 243.310 2.292 20 0 BEADMN C[C@]1(NCCF)CCOc2ccccc21 ZINC000933369193 640708907 /nfs/dbraw/zinc/70/89/07/640708907.db2.gz DHXTXPNPIAMPIS-LBPRGKRZSA-N 0 1 209.264 2.243 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)nn2)C[C@H]1C ZINC000167410628 640718153 /nfs/dbraw/zinc/71/81/53/640718153.db2.gz BQQXDSBOAXWTJQ-RKDXNWHRSA-N 0 1 225.723 2.218 20 0 BEADMN Clc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000167412312 640720788 /nfs/dbraw/zinc/72/07/88/640720788.db2.gz HUPYUKCKZIPQPU-AOOOYVTPSA-N 0 1 237.734 2.362 20 0 BEADMN Cc1ncccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000933924775 640790987 /nfs/dbraw/zinc/79/09/87/640790987.db2.gz YSNDXHIERGIPNI-ZDUSSCGKSA-N 0 1 247.342 2.201 20 0 BEADMN CCCOC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000158223261 640825005 /nfs/dbraw/zinc/82/50/05/640825005.db2.gz PDRBHGZPDDDPDT-GRYCIOLGSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@](CO)(NC/C=C/Cl)c1ccccc1 ZINC000227530839 640837911 /nfs/dbraw/zinc/83/79/11/640837911.db2.gz DPRWCVKAKUBZMV-FZKGZDJFSA-N 0 1 225.719 2.236 20 0 BEADMN COCC(C)(C)NC/C(Cl)=C\Cl ZINC000228195088 640865751 /nfs/dbraw/zinc/86/57/51/640865751.db2.gz HTOTVVBERXDDKU-QPJJXVBHSA-N 0 1 212.120 2.320 20 0 BEADMN CCOC(CN[C@@H](C)c1cncs1)OCC ZINC000229131070 640926045 /nfs/dbraw/zinc/92/60/45/640926045.db2.gz ODRPESRUOTXSNH-VIFPVBQESA-N 0 1 244.360 2.193 20 0 BEADMN CC[C@@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000170986136 640947165 /nfs/dbraw/zinc/94/71/65/640947165.db2.gz OSBSJRZTDCUMEQ-GFCCVEGCSA-N 0 1 235.327 2.460 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)OCc1ccccc1 ZINC000170986136 640947168 /nfs/dbraw/zinc/94/71/68/640947168.db2.gz OSBSJRZTDCUMEQ-GFCCVEGCSA-N 0 1 235.327 2.460 20 0 BEADMN Cc1ccoc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000229552640 640966620 /nfs/dbraw/zinc/96/66/20/640966620.db2.gz JSWKUXDPCMHOMO-LLVKDONJSA-N 0 1 237.299 2.417 20 0 BEADMN CONC(=O)Cc1csc(-c2ccccc2)n1 ZINC000062125332 641023705 /nfs/dbraw/zinc/02/37/05/641023705.db2.gz GQMPDXOHINAYRO-UHFFFAOYSA-N 0 1 248.307 2.030 20 0 BEADMN CC(C)n1cc([C@H](C)NC2CCC2)nn1 ZINC000925376032 641032344 /nfs/dbraw/zinc/03/23/44/641032344.db2.gz IDGSLDPKQGNDHP-VIFPVBQESA-N 0 1 208.309 2.062 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cncc(Cl)c1 ZINC000934107691 641071697 /nfs/dbraw/zinc/07/16/97/641071697.db2.gz XTOBVOFTDGTYHS-NWDGAFQWSA-N 0 1 240.734 2.344 20 0 BEADMN CC1(C)OCC(NCc2ccccc2F)CO1 ZINC000230695435 641082296 /nfs/dbraw/zinc/08/22/96/641082296.db2.gz MUFVSDKQHFFVCA-UHFFFAOYSA-N 0 1 239.290 2.067 20 0 BEADMN CC1(C)OCC(NCc2cccc(F)c2)CO1 ZINC000230695462 641083158 /nfs/dbraw/zinc/08/31/58/641083158.db2.gz VQMABKATTYQQRG-UHFFFAOYSA-N 0 1 239.290 2.067 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccco2)no1 ZINC000062772053 641089232 /nfs/dbraw/zinc/08/92/32/641089232.db2.gz CHLCVYABRCOASH-VIFPVBQESA-N 0 1 220.272 2.297 20 0 BEADMN CCCCC1(NCc2nnc3n2CCCC3)CC1 ZINC000934202732 641100606 /nfs/dbraw/zinc/10/06/06/641100606.db2.gz LBCVBALLRJAKKF-UHFFFAOYSA-N 0 1 248.374 2.427 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2cccnc2)no1 ZINC000934226545 641106998 /nfs/dbraw/zinc/10/69/98/641106998.db2.gz JICZCAIADUBYAY-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C[C@@H](C)CC ZINC000172800966 641115757 /nfs/dbraw/zinc/11/57/57/641115757.db2.gz CGWATDADXUCPOY-QWRGUYRKSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cn(C)nc1CN1CCCSC[C@@H]1C ZINC000934293624 641118658 /nfs/dbraw/zinc/11/86/58/641118658.db2.gz AVCKODNCXWTBAT-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN COc1cc(CN2CCCSC[C@@H]2C)on1 ZINC000934298065 641119535 /nfs/dbraw/zinc/11/95/35/641119535.db2.gz TWQDBGKQHUPMPD-VIFPVBQESA-N 0 1 242.344 2.011 20 0 BEADMN OCCC[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000607168702 641127667 /nfs/dbraw/zinc/12/76/67/641127667.db2.gz SPLCXXNWUSPQLY-CQSZACIVSA-N 0 1 245.326 2.013 20 0 BEADMN CCCCN(C)Cc1cnc(Cl)cn1 ZINC000231275502 641152506 /nfs/dbraw/zinc/15/25/06/641152506.db2.gz IMPBMYPYUAYGLT-UHFFFAOYSA-N 0 1 213.712 2.362 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cnc(Cl)cn2)C1 ZINC000231284760 641153552 /nfs/dbraw/zinc/15/35/52/641153552.db2.gz OXZVDTNLUJYLFS-IUCAKERBSA-N 0 1 225.723 2.360 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cnc(Cl)cn2)C1 ZINC000231284751 641154194 /nfs/dbraw/zinc/15/41/94/641154194.db2.gz OXZVDTNLUJYLFS-BDAKNGLRSA-N 0 1 225.723 2.360 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cnc(Cl)cn1 ZINC000231284740 641154627 /nfs/dbraw/zinc/15/46/27/641154627.db2.gz OXZVDTNLUJYLFS-DTWKUNHWSA-N 0 1 225.723 2.360 20 0 BEADMN CCN(Cc1ccccc1)Cc1cnc(N)cn1 ZINC000231294796 641157453 /nfs/dbraw/zinc/15/74/53/641157453.db2.gz CZSSETPFKITWQI-UHFFFAOYSA-N 0 1 242.326 2.081 20 0 BEADMN C[C@@H]1CCCN(Cn2cc[nH]c2=S)C1 ZINC000173289134 641163688 /nfs/dbraw/zinc/16/36/88/641163688.db2.gz SHFFTOBKDFLOMP-SECBINFHSA-N 0 1 211.334 2.235 20 0 BEADMN Cc1ncccc1CN1CCOC[C@]1(C)C1CC1 ZINC000934476114 641168129 /nfs/dbraw/zinc/16/81/29/641168129.db2.gz UBVOCGSNFIAFDR-OAHLLOKOSA-N 0 1 246.354 2.391 20 0 BEADMN CCCCOCCN1CCOC[C@@]1(C)C1CC1 ZINC000934480694 641169884 /nfs/dbraw/zinc/16/98/84/641169884.db2.gz JXRQOJOWOZQVIH-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(C)C2CCC2)C1 ZINC000173365998 641171303 /nfs/dbraw/zinc/17/13/03/641171303.db2.gz ITDPQVRWEZOTIM-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000173523942 641183633 /nfs/dbraw/zinc/18/36/33/641183633.db2.gz ZNTZLPBUMBNZRP-RYUDHWBXSA-N 0 1 224.348 2.077 20 0 BEADMN Cc1ccccc1[C@H](C)N1CC[C@H](O)[C@H](F)C1 ZINC000934573451 641203564 /nfs/dbraw/zinc/20/35/64/641203564.db2.gz BWZMLIOGKPNROU-YUTCNCBUSA-N 0 1 237.318 2.461 20 0 BEADMN O[C@H]1CCN(CCCC2CCCC2)C[C@H]1F ZINC000934575115 641204280 /nfs/dbraw/zinc/20/42/80/641204280.db2.gz IJIQDDYCVJGJRO-OLZOCXBDSA-N 0 1 229.339 2.362 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934573472 641205055 /nfs/dbraw/zinc/20/50/55/641205055.db2.gz GLZUXDDAAKLXLN-UBHSHLNASA-N 0 1 237.318 2.461 20 0 BEADMN O[C@@H]1CCN(CCCC2CCCC2)C[C@@H]1F ZINC000934575116 641208613 /nfs/dbraw/zinc/20/86/13/641208613.db2.gz IJIQDDYCVJGJRO-QWHCGFSZSA-N 0 1 229.339 2.362 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)CC[C@@H]1C ZINC000174008846 641232038 /nfs/dbraw/zinc/23/20/38/641232038.db2.gz NIMDMEWTGBDPDR-WOPDTQHZSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN(C)CC2CC2)C1 ZINC000174073266 641243033 /nfs/dbraw/zinc/24/30/33/641243033.db2.gz SYVPLBXKANUJJI-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN Cn1cncc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934691802 641247085 /nfs/dbraw/zinc/24/70/85/641247085.db2.gz IIDSLIXMMHICHW-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN CC(C)N1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934799646 641274600 /nfs/dbraw/zinc/27/46/00/641274600.db2.gz ZAKCJAOBLUXCBI-AOOOYVTPSA-N 0 1 238.297 2.352 20 0 BEADMN CC(C)(C)c1csc(CNCCCCO)n1 ZINC000232518973 641293906 /nfs/dbraw/zinc/29/39/06/641293906.db2.gz GBKYXJXIEANOPU-UHFFFAOYSA-N 0 1 242.388 2.303 20 0 BEADMN CC1(CCC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000934898387 641296642 /nfs/dbraw/zinc/29/66/42/641296642.db2.gz WXPNJRARKSYWBC-LLVKDONJSA-N 0 1 247.342 2.484 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cccc(F)c1O ZINC000934911560 641298695 /nfs/dbraw/zinc/29/86/95/641298695.db2.gz PTCXRYONMBPLLZ-MRVPVSSYSA-N 0 1 241.262 2.333 20 0 BEADMN CCN1CCN(C(=O)CCC2(C)CC2)C[C@@H]1C ZINC000935070827 641331245 /nfs/dbraw/zinc/33/12/45/641331245.db2.gz KXKIMEGQXIXYHU-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](NC(=O)c1cccc(F)c1O)C1CCC1 ZINC000935088391 641335316 /nfs/dbraw/zinc/33/53/16/641335316.db2.gz POERZQKIBKEGHE-QMMMGPOBSA-N 0 1 237.274 2.450 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000232702941 641365810 /nfs/dbraw/zinc/36/58/10/641365810.db2.gz YIECZWISYVRAJE-SNVBAGLBSA-N 0 1 236.315 2.256 20 0 BEADMN Cc1nc(C)c(CN2CCS[C@@H](C)[C@@H]2C)[nH]1 ZINC000929674322 641392478 /nfs/dbraw/zinc/39/24/78/641392478.db2.gz GQYKSQUQCCWUOE-UWVGGRQHSA-N 0 1 239.388 2.352 20 0 BEADMN CC1=CCN(CCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC000935398762 641402352 /nfs/dbraw/zinc/40/23/52/641402352.db2.gz XUHSWFLKQYVCKR-OAHLLOKOSA-N 0 1 248.370 2.111 20 0 BEADMN CC[C@H](CC(=O)Nc1c[nH]nn1)C(C)(C)C ZINC000935594376 641435538 /nfs/dbraw/zinc/43/55/38/641435538.db2.gz GBDSMQRGLWAYNZ-MRVPVSSYSA-N 0 1 224.308 2.206 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000935595997 641439177 /nfs/dbraw/zinc/43/91/77/641439177.db2.gz ZUPMBKOABKVIQX-XYPYZODXSA-N 0 1 248.330 2.350 20 0 BEADMN O=C(CC(C1CCC1)C1CCC1)Nc1c[nH]nn1 ZINC000935595999 641439722 /nfs/dbraw/zinc/43/97/22/641439722.db2.gz ZWVUFMCRQJVDBY-UHFFFAOYSA-N 0 1 248.330 2.350 20 0 BEADMN CCCCc1ccc(C(=O)Nc2c[nH]nn2)cc1 ZINC000935598455 641442621 /nfs/dbraw/zinc/44/26/21/641442621.db2.gz PGPHAOKWMSCJEV-UHFFFAOYSA-N 0 1 244.298 2.400 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H](F)CC1CCCCC1 ZINC000935597403 641442995 /nfs/dbraw/zinc/44/29/95/641442995.db2.gz KMMMQVHBCHYSOR-VIFPVBQESA-N 0 1 240.282 2.052 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc(F)c1O ZINC000935783031 641482300 /nfs/dbraw/zinc/48/23/00/641482300.db2.gz FCQVCABPUXUECJ-GXSJLCMTSA-N 0 1 235.258 2.060 20 0 BEADMN CCC(=CC(=O)N1[C@H](C)CN(C)C[C@@H]1C)CC ZINC000155766542 641581042 /nfs/dbraw/zinc/58/10/42/641581042.db2.gz WWUTUPBQYJMKPY-TXEJJXNPSA-N 0 1 238.375 2.284 20 0 BEADMN CCCCN(C)[C@H](C)C(=O)OCCC ZINC000158231553 641629437 /nfs/dbraw/zinc/62/94/37/641629437.db2.gz XXNVTWPZAGLXDS-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000047240113 641637327 /nfs/dbraw/zinc/63/73/27/641637327.db2.gz DGMJREXQRAYRSV-VXGBXAGGSA-N 0 1 248.282 2.414 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@H](C)[C@H](C)C2)C1 ZINC000159905913 641705133 /nfs/dbraw/zinc/70/51/33/641705133.db2.gz LYJLQERAEPHRMS-YNEHKIRRSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1CN(CN2CCSC2=O)CC[C@@H]1C ZINC000159952619 641706631 /nfs/dbraw/zinc/70/66/31/641706631.db2.gz FEEUBXKIUJVIBH-UWVGGRQHSA-N 0 1 228.361 2.091 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(CC)C(C)C ZINC000159981212 641709147 /nfs/dbraw/zinc/70/91/47/641709147.db2.gz XUUHLAOSUQXCKM-LLVKDONJSA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@H](NC(=O)c1coc(CN)c1)C1CCCC1 ZINC000187751073 641722436 /nfs/dbraw/zinc/72/24/36/641722436.db2.gz RKNZSOMJLMHLKC-SECBINFHSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H](N(C)CN1CCSC1=O)C(C)(C)C ZINC000914568461 641737332 /nfs/dbraw/zinc/73/73/32/641737332.db2.gz KFMDSMJQYICXOC-VIFPVBQESA-N 0 1 230.377 2.479 20 0 BEADMN COc1cc(OC)cc(-c2cc([C@@H](C)N)on2)c1 ZINC000075789055 641769114 /nfs/dbraw/zinc/76/91/14/641769114.db2.gz PNMRGARJKWSXFR-MRVPVSSYSA-N 0 1 248.282 2.379 20 0 BEADMN C[C@H](NCc1ccc(F)nc1)c1cccnc1 ZINC000188967544 641777774 /nfs/dbraw/zinc/77/77/74/641777774.db2.gz QJRKXAIIDYSLBV-JTQLQIEISA-N 0 1 231.274 2.467 20 0 BEADMN C/C(=C/C(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000153425857 641787485 /nfs/dbraw/zinc/78/74/85/641787485.db2.gz OXEMJLJZNHUATM-IMKDSULZSA-N 0 1 238.375 2.188 20 0 BEADMN CCCC[C@@H](C)N[C@@H](C)c1nnnn1C1CC1 ZINC000189121277 641790111 /nfs/dbraw/zinc/79/01/11/641790111.db2.gz PSTGCZRZNIIHPG-ZJUUUORDSA-N 0 1 237.351 2.237 20 0 BEADMN CCC[C@@H](C)[C@@H](C)OC(=O)CCc1nc[nH]n1 ZINC000189298673 641799658 /nfs/dbraw/zinc/79/96/58/641799658.db2.gz ITTZRBIFJCLIBC-NXEZZACHSA-N 0 1 239.319 2.105 20 0 BEADMN C[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189279820 641799787 /nfs/dbraw/zinc/79/97/87/641799787.db2.gz DNZBFUQORLOQBU-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN C#CCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000153480394 641802820 /nfs/dbraw/zinc/80/28/20/641802820.db2.gz FVPUEHPRSUUJNK-ZDUSSCGKSA-N 0 1 237.343 2.063 20 0 BEADMN CCCCN1CC(N(CC)C(=O)C2CCC2)C1 ZINC000949555486 641842261 /nfs/dbraw/zinc/84/22/61/641842261.db2.gz SQIVXNYNRHXIKM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(OC(=O)CCCCc2cn[nH]n2)CCC1 ZINC000190543968 641871529 /nfs/dbraw/zinc/87/15/29/641871529.db2.gz NTGSUTOOXATVBJ-UHFFFAOYSA-N 0 1 237.303 2.003 20 0 BEADMN CCCCCCNC(=O)NCc1cn[nH]c1C ZINC000915881263 641879006 /nfs/dbraw/zinc/87/90/06/641879006.db2.gz PDNSFUGANVBXIA-UHFFFAOYSA-N 0 1 238.335 2.098 20 0 BEADMN CC(=C(O)NC1=NCCS1)c1ccsc1 ZINC000078024701 641896026 /nfs/dbraw/zinc/89/60/26/641896026.db2.gz IDOVJGJBMJOBBD-ZETCQYMHSA-N 0 1 240.353 2.071 20 0 BEADMN CCc1cc(CNC(=O)c2cc(C)oc2C)n[nH]1 ZINC000078669449 641942908 /nfs/dbraw/zinc/94/29/08/641942908.db2.gz NLTYMVLBACHKAX-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN Cc1ncc(CSc2nc(C3CC3)n[nH]2)o1 ZINC000916538593 641943167 /nfs/dbraw/zinc/94/31/67/641943167.db2.gz KWWJCNSPCKETQO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1ncc(CSc2n[nH]c(C3CC3)n2)o1 ZINC000916538593 641943168 /nfs/dbraw/zinc/94/31/68/641943168.db2.gz KWWJCNSPCKETQO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1ncccn1 ZINC000916538706 641944251 /nfs/dbraw/zinc/94/42/51/641944251.db2.gz OVMGXHZSYTYRQQ-ZETCQYMHSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1ncccn1 ZINC000916538706 641944257 /nfs/dbraw/zinc/94/42/57/641944257.db2.gz OVMGXHZSYTYRQQ-ZETCQYMHSA-N 0 1 247.327 2.325 20 0 BEADMN CCCCC[C@H](C)NCc1nc(N(C)C)no1 ZINC000191896427 641948974 /nfs/dbraw/zinc/94/89/74/641948974.db2.gz OIDBRMKAWZPXFP-JTQLQIEISA-N 0 1 240.351 2.194 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@H](C)c1cccs1 ZINC000917082849 642004157 /nfs/dbraw/zinc/00/41/57/642004157.db2.gz WIXNWHNHQLELHY-APPZFPTMSA-N 0 1 240.353 2.417 20 0 BEADMN FC1(F)[C@@H]2C[C@@H](CSc3cn[nH]n3)C[C@@H]21 ZINC000917173163 642026046 /nfs/dbraw/zinc/02/60/46/642026046.db2.gz GKCQUOLDXMVUST-POBXSPIYSA-N 0 1 231.271 2.188 20 0 BEADMN CC(C)c1nsc(CSc2c[nH]nn2)n1 ZINC000917174009 642026081 /nfs/dbraw/zinc/02/60/81/642026081.db2.gz RVMQEAWIMHCZDL-UHFFFAOYSA-N 0 1 241.345 2.072 20 0 BEADMN CC(C)N1CCN(C(=O)CCC2(C)CC2)CC1 ZINC000929994857 642115442 /nfs/dbraw/zinc/11/54/42/642115442.db2.gz VFUYKYLQRQQGOR-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1nnc(SC[C@H]2CCCN2C)s1 ZINC000918050162 642160751 /nfs/dbraw/zinc/16/07/51/642160751.db2.gz XLPZDQUGQNIESQ-MRVPVSSYSA-N 0 1 243.401 2.287 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000918101640 642168410 /nfs/dbraw/zinc/16/84/10/642168410.db2.gz SJDIPZSZLGREDO-LMLFDSFASA-N 0 1 238.356 2.030 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@@H](C)c1ccccc1 ZINC000918448084 642197894 /nfs/dbraw/zinc/19/78/94/642197894.db2.gz LQDPIKLKBCFQCY-GXSJLCMTSA-N 0 1 234.324 2.355 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)OCCC(C)C ZINC000918693877 642254079 /nfs/dbraw/zinc/25/40/79/642254079.db2.gz OYSFYUHEXUESBD-UHFFFAOYSA-N 0 1 239.319 2.333 20 0 BEADMN CCc1nc(CSc2cc(C)ccn2)n[nH]1 ZINC000918809560 642271009 /nfs/dbraw/zinc/27/10/09/642271009.db2.gz ROAYCHXJEYCLAZ-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCCOc1ccc(-n2cncc2N)c(F)c1 ZINC001215489040 970763911 /nfs/dbraw/zinc/76/39/11/970763911.db2.gz PLFQWXVZADWLIM-UHFFFAOYSA-N 0 1 235.262 2.382 20 0 BEADMN CCN(Cc1ccncc1)Cc1ccc(N)nc1 ZINC000050815593 642336836 /nfs/dbraw/zinc/33/68/36/642336836.db2.gz PRRJYKPOBYWYBB-UHFFFAOYSA-N 0 1 242.326 2.081 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cnn(C)n1 ZINC000925466275 642346269 /nfs/dbraw/zinc/34/62/69/642346269.db2.gz MDQILKXCXHLKEN-UHTWSYAYSA-N 0 1 248.374 2.435 20 0 BEADMN Cc1ncc(CNC/C=C\Cl)s1 ZINC000307935169 642350867 /nfs/dbraw/zinc/35/08/67/642350867.db2.gz DKDNQXJPIQJQKL-IHWYPQMZSA-N 0 1 202.710 2.294 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccco1 ZINC000050925065 642370445 /nfs/dbraw/zinc/37/04/45/642370445.db2.gz KKIPHIDWSDZSKO-NSHDSACASA-N 0 1 237.299 2.499 20 0 BEADMN c1ccc(CCN2CCOC[C@@H]2CC2CC2)nc1 ZINC000933216070 642393770 /nfs/dbraw/zinc/39/37/70/642393770.db2.gz VTAVTYQOMYZTAW-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN c1cncc(CCN2CCOC[C@@H]2CC2CC2)c1 ZINC000933216484 642395162 /nfs/dbraw/zinc/39/51/62/642395162.db2.gz XNKIRBCPFWOZJF-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1nc(C)c(Cn2ccnc2C(F)(F)F)[nH]1 ZINC000919896584 642402130 /nfs/dbraw/zinc/40/21/30/642402130.db2.gz ZKNYSSRJFHWLOH-UHFFFAOYSA-N 0 1 244.220 2.290 20 0 BEADMN CCn1cnc2c1CCN(CCC(F)(F)F)C2 ZINC000933254553 642423903 /nfs/dbraw/zinc/42/39/03/642423903.db2.gz QTWMQDOTBLWOPJ-UHFFFAOYSA-N 0 1 247.264 2.214 20 0 BEADMN CCN(C/C=C\Cl)C[C@H]1CCCO1 ZINC000255049845 642445535 /nfs/dbraw/zinc/44/55/35/642445535.db2.gz YILIJIVEJFHSQI-AYYIZTPMSA-N 0 1 203.713 2.240 20 0 BEADMN c1cc(CNCc2cccnc2)n(C2CCC2)n1 ZINC000921472285 642630257 /nfs/dbraw/zinc/63/02/57/642630257.db2.gz AZQYAURDEDABMK-UHFFFAOYSA-N 0 1 242.326 2.293 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cn1cc[nH]c1=S ZINC000174957958 642643790 /nfs/dbraw/zinc/64/37/90/642643790.db2.gz GUBIHNZNKYTRGR-DTWKUNHWSA-N 0 1 211.334 2.233 20 0 BEADMN C[C@]1(O)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180634415 642804359 /nfs/dbraw/zinc/80/43/59/642804359.db2.gz ZJIHSYTZUSBAQT-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN CCCCN(CC)CC(=O)OCC(C)C ZINC000181422326 642871053 /nfs/dbraw/zinc/87/10/53/642871053.db2.gz ABRHDUHAODUGIS-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1nonc1CNC1CCC(C)CC1 ZINC000069794579 642906770 /nfs/dbraw/zinc/90/67/70/642906770.db2.gz JBJXMNNFBJOELT-UHFFFAOYSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nonc1CN[C@H]1CCC[C@H](C)C1 ZINC000069794765 642908640 /nfs/dbraw/zinc/90/86/40/642908640.db2.gz IVYHLTYTIOLEIG-WPRPVWTQSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H]1C[C@@H](NCc2cc(C)on2)CCO1 ZINC000069890500 642928074 /nfs/dbraw/zinc/92/80/74/642928074.db2.gz CQHLIJYELGZUQR-JQWIXIFHSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H](C)C1 ZINC000114076561 642942182 /nfs/dbraw/zinc/94/21/82/642942182.db2.gz WKCKTEDXVMDITG-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)NOC)c1ccccc1 ZINC000070275331 643011513 /nfs/dbraw/zinc/01/15/13/643011513.db2.gz HTJICSTUXYQPMV-PWSUYJOCSA-N 0 1 221.300 2.494 20 0 BEADMN CCc1ncc(CN(CCO)C2CCC2)s1 ZINC000276001609 643015462 /nfs/dbraw/zinc/01/54/62/643015462.db2.gz NSJZQTPEKSCFQI-UHFFFAOYSA-N 0 1 240.372 2.052 20 0 BEADMN C[C@H](NC(=O)[C@@H](N)c1ccccc1)C1CCCC1 ZINC000070307603 643015996 /nfs/dbraw/zinc/01/59/96/643015996.db2.gz GWJIKLXLMSGLGI-FZMZJTMJSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H](NC(=O)[C@@H](N)c1ccccc1)C1CCCC1 ZINC000070307604 643016308 /nfs/dbraw/zinc/01/63/08/643016308.db2.gz GWJIKLXLMSGLGI-RISCZKNCSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H](C)c1nccn1C ZINC000070444217 643027615 /nfs/dbraw/zinc/02/76/15/643027615.db2.gz ZNARNNVHGGFMKK-GHMZBOCLSA-N 0 1 233.315 2.295 20 0 BEADMN CCCN(Cc1ccccc1)Cn1cnnc1 ZINC000182568921 643033769 /nfs/dbraw/zinc/03/37/69/643033769.db2.gz ZHYJUWNZKBWSOO-UHFFFAOYSA-N 0 1 230.315 2.148 20 0 BEADMN C[C@H](NC[C@H]1CCC=CO1)c1nccs1 ZINC000070633981 643053061 /nfs/dbraw/zinc/05/30/61/643053061.db2.gz VPQJZYFNLUWQKJ-VHSXEESVSA-N 0 1 224.329 2.486 20 0 BEADMN CCCN(C)CC(=O)Nc1cccnc1Cl ZINC000049480542 643075384 /nfs/dbraw/zinc/07/53/84/643075384.db2.gz DVZRYNVJLVZHPX-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN CCCCOC(=O)CN(C(C)C)C(C)C ZINC000183031162 643082569 /nfs/dbraw/zinc/08/25/69/643082569.db2.gz WRPPMVFHFMIGJA-UHFFFAOYSA-N 0 1 215.337 2.449 20 0 BEADMN C[C@H](NCCSC(F)(F)F)c1ncc[nH]1 ZINC000286363386 643132892 /nfs/dbraw/zinc/13/28/92/643132892.db2.gz ZIEUHBAYDFBTKD-LURJTMIESA-N 0 1 239.266 2.313 20 0 BEADMN O=C([O-])C[N@@H+](Cc1coc2ccccc12)C1CC1 ZINC000131055799 643197366 /nfs/dbraw/zinc/19/73/66/643197366.db2.gz NOOHNXNDSLNSOZ-UHFFFAOYSA-N 0 1 245.278 2.482 20 0 BEADMN CCCCN(CC)Cn1ccc(C)c(C#N)c1=O ZINC000184682161 643228498 /nfs/dbraw/zinc/22/84/98/643228498.db2.gz SZDLPKMVPAXDEI-UHFFFAOYSA-N 0 1 247.342 2.108 20 0 BEADMN CC1(C)CCC[C@@H]1NCc1cnsn1 ZINC000306860922 643265380 /nfs/dbraw/zinc/26/53/80/643265380.db2.gz GOZRLFSWYNDTET-VIFPVBQESA-N 0 1 211.334 2.206 20 0 BEADMN Cc1ccc(CNCc2c[nH]cn2)cc1F ZINC000082394040 643308786 /nfs/dbraw/zinc/30/87/86/643308786.db2.gz HWSUEKGBCMLAJX-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN CCC/C=C\C(=O)N1CCN(C2CCC2)CC1 ZINC000733274756 643315207 /nfs/dbraw/zinc/31/52/07/643315207.db2.gz RRXOIAMXZKEWFM-YWEYNIOJSA-N 0 1 236.359 2.039 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H]1CSC ZINC000247008428 643324201 /nfs/dbraw/zinc/32/42/01/643324201.db2.gz PWTSOQIRLHKVOK-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C/C=C/C(=O)NC[C@H](c1cccs1)N(C)C ZINC000082551531 643341629 /nfs/dbraw/zinc/34/16/29/643341629.db2.gz MYJBUQUVERMZGN-DFVUYQKZSA-N 0 1 238.356 2.043 20 0 BEADMN c1nc(CNCCNc2ccccc2)cs1 ZINC000082626869 643356184 /nfs/dbraw/zinc/35/61/84/643356184.db2.gz ALFYCJVQOCDKDR-UHFFFAOYSA-N 0 1 233.340 2.345 20 0 BEADMN CCCCCC[N@@H+](C)CC(=O)[N-]OC1CCC1 ZINC000812788058 643377448 /nfs/dbraw/zinc/37/74/48/643377448.db2.gz FXVFAZXYZSHSBB-UHFFFAOYSA-N 0 1 242.363 2.099 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N(OCC)C(C)C ZINC000844078753 643381989 /nfs/dbraw/zinc/38/19/89/643381989.db2.gz ZXSCFBNKELFTJL-GFCCVEGCSA-N 0 1 242.363 2.049 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])Cc2ccccc21 ZINC000082791625 643383121 /nfs/dbraw/zinc/38/31/21/643383121.db2.gz CQVVMFABFMQCSX-SNVBAGLBSA-N 0 1 219.284 2.080 20 0 BEADMN CC[C@H]1CCC[C@@H](NCc2nonc2C)C1 ZINC000082847600 643386683 /nfs/dbraw/zinc/38/66/83/643386683.db2.gz ACMDYICAHXIUIN-WDEREUQCSA-N 0 1 223.320 2.436 20 0 BEADMN O=C(C1CCN(CCCF)CC1)C(F)(F)F ZINC000186069904 643436231 /nfs/dbraw/zinc/43/62/31/643436231.db2.gz LGLATRHPHKRZKM-UHFFFAOYSA-N 0 1 241.228 2.189 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccoc2)no1 ZINC000069947381 643451721 /nfs/dbraw/zinc/45/17/21/643451721.db2.gz JXWJYMRZMGUIIM-SSDOTTSWSA-N 0 1 207.233 2.000 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)nn1 ZINC000307502169 643487870 /nfs/dbraw/zinc/48/78/70/643487870.db2.gz IWGIYOSXXXERSC-DTWKUNHWSA-N 0 1 225.723 2.360 20 0 BEADMN CCc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000049962195 643570193 /nfs/dbraw/zinc/57/01/93/643570193.db2.gz BLDCGIBKWRCSKL-NSHDSACASA-N 0 1 235.327 2.402 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccoc1 ZINC000083638540 643601242 /nfs/dbraw/zinc/60/12/42/643601242.db2.gz XSGTWTALMSEAEV-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN CCC[N@@H+](CCC(C)(C)C(=O)[O-])C1CC1 ZINC000083638405 643601287 /nfs/dbraw/zinc/60/12/87/643601287.db2.gz XATPYGNCNLKYDB-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662469 643604474 /nfs/dbraw/zinc/60/44/74/643604474.db2.gz CLDFKUQDBLCEET-JOYOIKCWSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)o1 ZINC000083662469 643604477 /nfs/dbraw/zinc/60/44/77/643604477.db2.gz CLDFKUQDBLCEET-JOYOIKCWSA-N 0 1 249.310 2.452 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085611914 643622761 /nfs/dbraw/zinc/62/27/61/643622761.db2.gz FLPGLAMJPZUQGY-QWRGUYRKSA-N 0 1 245.388 2.315 20 0 BEADMN CCN(CC)C(=O)c1cccc(F)c1O ZINC000168207233 643631828 /nfs/dbraw/zinc/63/18/28/643631828.db2.gz VXTDYHBFLZRQAL-UHFFFAOYSA-N 0 1 211.236 2.013 20 0 BEADMN Cc1ccccc1CN1CC(O)(C(C)C)C1 ZINC000084376853 643659411 /nfs/dbraw/zinc/65/94/11/643659411.db2.gz MKYPFKQCURJLHK-UHFFFAOYSA-N 0 1 219.328 2.198 20 0 BEADMN CCN(Cc1cccs1)c1cc(C)nc(N)n1 ZINC000085121529 643685852 /nfs/dbraw/zinc/68/58/52/643685852.db2.gz YWWUJVZDNKQQLM-UHFFFAOYSA-N 0 1 248.355 2.455 20 0 BEADMN CCCCCCn1cc(CNC(C)C)nn1 ZINC000085273209 643716596 /nfs/dbraw/zinc/71/65/96/643716596.db2.gz NHQIKAJCCQSHNJ-UHFFFAOYSA-N 0 1 224.352 2.356 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cnc(C)c(C)c2)[nH]1 ZINC000921871895 643811994 /nfs/dbraw/zinc/81/19/94/643811994.db2.gz KEEJDRATGXFDLP-UHFFFAOYSA-N 0 1 244.298 2.291 20 0 BEADMN CCC[C@@H](C(=O)Nc1cnc(C)c(C)c1)N(C)C ZINC000921873067 643813476 /nfs/dbraw/zinc/81/34/76/643813476.db2.gz BOBVIOMUNZBILO-ZDUSSCGKSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1cc(NC(=O)CN(C)C2CCC2)cnc1C ZINC000921873233 643814038 /nfs/dbraw/zinc/81/40/38/643814038.db2.gz URXCMSKKENQXIC-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN COC[C@H](CN(C)Cc1cc(C)on1)C(C)C ZINC000929257778 643831121 /nfs/dbraw/zinc/83/11/21/643831121.db2.gz QGCOTVWNQWSDHL-LBPRGKRZSA-N 0 1 240.347 2.333 20 0 BEADMN CCc1onc(C)c1NCc1[nH]ncc1C ZINC000922131678 643868501 /nfs/dbraw/zinc/86/85/01/643868501.db2.gz PCDOMPIGICHLFE-UHFFFAOYSA-N 0 1 220.276 2.189 20 0 BEADMN CCc1onc(C)c1NCc1n[nH]c(C)c1C ZINC000922132882 643870511 /nfs/dbraw/zinc/87/05/11/643870511.db2.gz VQMYQVVSDCEYML-UHFFFAOYSA-N 0 1 234.303 2.497 20 0 BEADMN C/C=C(/C=C\C(=O)NC[C@@H]1CCN1CC)CC ZINC000922158156 643879635 /nfs/dbraw/zinc/87/96/35/643879635.db2.gz FEJRQBXJZJFDNG-PSUTVQSZSA-N 0 1 236.359 2.109 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C/C=C(/C)COC ZINC000929271823 643884815 /nfs/dbraw/zinc/88/48/15/643884815.db2.gz URBLFTGALXCTQB-BLJGWETHSA-N 0 1 227.348 2.078 20 0 BEADMN Cc1cc(F)c(CN[C@@H](C)[C@@H](C)O)c(F)c1 ZINC000425390188 643896084 /nfs/dbraw/zinc/89/60/84/643896084.db2.gz YFGBXNCDFRPIOT-DTWKUNHWSA-N 0 1 229.270 2.132 20 0 BEADMN FCCn1cc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000922186012 643896185 /nfs/dbraw/zinc/89/61/85/643896185.db2.gz RTMIRZJXMLVEMG-VXGBXAGGSA-N 0 1 243.301 2.223 20 0 BEADMN Cc1cc(F)c(CN[C@H](C)[C@H](C)O)c(F)c1 ZINC000425390186 643896507 /nfs/dbraw/zinc/89/65/07/643896507.db2.gz YFGBXNCDFRPIOT-BDAKNGLRSA-N 0 1 229.270 2.132 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@@H]1CC12CC2 ZINC000922198858 643899895 /nfs/dbraw/zinc/89/98/95/643899895.db2.gz VQKSTMXCJPYQNT-SECBINFHSA-N 0 1 225.723 2.268 20 0 BEADMN Cc1nnsc1[C@@H](C)N(C)CC1CC1 ZINC000929290517 643953320 /nfs/dbraw/zinc/95/33/20/643953320.db2.gz VOVZPZIGVREZCU-MRVPVSSYSA-N 0 1 211.334 2.249 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(CC)cn1 ZINC000922470812 643996214 /nfs/dbraw/zinc/99/62/14/643996214.db2.gz SQTIIXNIOAUQGX-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cscn1 ZINC000922512401 644009633 /nfs/dbraw/zinc/00/96/33/644009633.db2.gz UBBQGQDSBNZUKV-CZULRBLNSA-N 0 1 208.330 2.277 20 0 BEADMN CC(C)c1cnc(CNC[C@@H]2CCN2C)s1 ZINC000922576436 644030251 /nfs/dbraw/zinc/03/02/51/644030251.db2.gz SNHSZRDTXFUOTC-JTQLQIEISA-N 0 1 239.388 2.060 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2COC[C@H]2C)c1 ZINC000922638657 644045507 /nfs/dbraw/zinc/04/55/07/644045507.db2.gz JZBOQVUMQBBTBM-KOLCDFICSA-N 0 1 240.734 2.168 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2COC[C@H]2C)c1 ZINC000922638658 644046064 /nfs/dbraw/zinc/04/60/64/644046064.db2.gz JZBOQVUMQBBTBM-MWLCHTKSSA-N 0 1 240.734 2.168 20 0 BEADMN Cn1nccc1CNC(C)(C)/C=C\Cl ZINC000922649856 644058374 /nfs/dbraw/zinc/05/83/74/644058374.db2.gz ZTDSGNIDRSRLFF-WAYWQWQTSA-N 0 1 213.712 2.041 20 0 BEADMN C[C@H]1Cc2cc(CNCc3cn[nH]c3)ccc2O1 ZINC000922702166 644073204 /nfs/dbraw/zinc/07/32/04/644073204.db2.gz WORSHXPEFWXTPQ-JTQLQIEISA-N 0 1 243.310 2.023 20 0 BEADMN C[C@@H]1Cc2cc(CNCc3cn[nH]c3)ccc2O1 ZINC000922702167 644073643 /nfs/dbraw/zinc/07/36/43/644073643.db2.gz WORSHXPEFWXTPQ-SNVBAGLBSA-N 0 1 243.310 2.023 20 0 BEADMN Cc1[nH]nc(CNCc2ncc(C)cc2C)c1C ZINC000922737923 644079237 /nfs/dbraw/zinc/07/92/37/644079237.db2.gz PUEXUFPURPNJCU-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN CCC[C@@H](O)CCNCc1ncc(C)s1 ZINC000922823667 644100618 /nfs/dbraw/zinc/10/06/18/644100618.db2.gz YYYFLASJPWVGOE-SNVBAGLBSA-N 0 1 228.361 2.092 20 0 BEADMN CCC[C@H](O)CCNCc1ncc(C)s1 ZINC000922823666 644101444 /nfs/dbraw/zinc/10/14/44/644101444.db2.gz YYYFLASJPWVGOE-JTQLQIEISA-N 0 1 228.361 2.092 20 0 BEADMN Cc1cc(CNC[C@]2(C)CCCCO2)no1 ZINC000922817288 644107267 /nfs/dbraw/zinc/10/72/67/644107267.db2.gz SROUWQQWKZKYGY-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN CCC[C@H](O)CCNCc1cnc(C2CC2)o1 ZINC000922818993 644108380 /nfs/dbraw/zinc/10/83/80/644108380.db2.gz VZICUPJTHJLBMK-NSHDSACASA-N 0 1 238.331 2.193 20 0 BEADMN CCC[C@H](O)CCNCc1ncc(Cl)s1 ZINC000922820188 644110460 /nfs/dbraw/zinc/11/04/60/644110460.db2.gz JRENKLBAPLQBSS-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1cc(CN[C@H]2CCS[C@H](C)C2)no1 ZINC000922837210 644114520 /nfs/dbraw/zinc/11/45/20/644114520.db2.gz GAIQYRUEPRCANL-ZJUUUORDSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@@H](O)CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000192718003 644178776 /nfs/dbraw/zinc/17/87/76/644178776.db2.gz QLXSHLKCRXFFFR-CXTNEJHOSA-N 0 1 249.354 2.218 20 0 BEADMN Cc1ccc(NCCNCc2nccs2)nc1 ZINC000922925037 644190129 /nfs/dbraw/zinc/19/01/29/644190129.db2.gz IGNOYJHQJDPGLJ-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN CCc1onc(C)c1CN[C@H](C)COC(C)C ZINC000922983669 644210864 /nfs/dbraw/zinc/21/08/64/644210864.db2.gz NPKXFJRFHNXDLJ-SNVBAGLBSA-N 0 1 240.347 2.449 20 0 BEADMN CN(CN1CCSC1=S)C1CCCC1 ZINC000193134290 644215711 /nfs/dbraw/zinc/21/57/11/644215711.db2.gz MUIYEMVDUZSBSH-UHFFFAOYSA-N 0 1 230.402 2.152 20 0 BEADMN C[C@@]1(NCc2cn[nH]c2)CCOc2ccccc21 ZINC000923027136 644238335 /nfs/dbraw/zinc/23/83/35/644238335.db2.gz ZPNCTNOUSUGVRL-CQSZACIVSA-N 0 1 243.310 2.197 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc(F)c1 ZINC000923255307 644305014 /nfs/dbraw/zinc/30/50/14/644305014.db2.gz COWQYWOTOKFZGX-LBPRGKRZSA-N 0 1 239.290 2.163 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)CCO1 ZINC000195313014 644373718 /nfs/dbraw/zinc/37/37/18/644373718.db2.gz GTYAJEPXDNXGFP-SNVBAGLBSA-N 0 1 211.330 2.011 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1cc(Cl)cs1 ZINC000086334824 644461615 /nfs/dbraw/zinc/46/16/15/644461615.db2.gz YJQKQKRMVFKBKF-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cs1 ZINC000086334824 644461623 /nfs/dbraw/zinc/46/16/23/644461623.db2.gz YJQKQKRMVFKBKF-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccnc2ccccc12 ZINC000086775009 644471727 /nfs/dbraw/zinc/47/17/27/644471727.db2.gz JJIDGNFECLZJPY-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN O=C([O-])C[N@H+](Cc1cccc(O)c1)C1CCCC1 ZINC000086749009 644472305 /nfs/dbraw/zinc/47/23/05/644472305.db2.gz JFTBEIAUULQECR-UHFFFAOYSA-N 0 1 249.310 2.221 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000086782890 644472397 /nfs/dbraw/zinc/47/23/97/644472397.db2.gz HEYJCBWHDHDYBM-AWEZNQCLSA-N 0 1 249.310 2.079 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000245457729 644526617 /nfs/dbraw/zinc/52/66/17/644526617.db2.gz ULJHMNJCBCIOAG-OLZOCXBDSA-N 0 1 238.375 2.323 20 0 BEADMN CCC(=O)N[C@@H]1CCN(C/C=C\Cl)[C@H](C)C1 ZINC000946932392 644526989 /nfs/dbraw/zinc/52/69/89/644526989.db2.gz JVCAMVHPDCQGHB-DPIUTZRQSA-N 0 1 244.766 2.118 20 0 BEADMN CC(C)C1(O)CN(CCCc2ccccc2)C1 ZINC000089667392 644559332 /nfs/dbraw/zinc/55/93/32/644559332.db2.gz OIRXAJGULNSIEO-UHFFFAOYSA-N 0 1 233.355 2.322 20 0 BEADMN C[C@@H]1CCN(Cn2cc[nH]c2=S)[C@H]1C ZINC000246732865 644603192 /nfs/dbraw/zinc/60/31/92/644603192.db2.gz GUBIHNZNKYTRGR-BDAKNGLRSA-N 0 1 211.334 2.233 20 0 BEADMN C/C(=C/c1ccccc1)CN(C)Cn1cnnc1 ZINC000754859765 644613981 /nfs/dbraw/zinc/61/39/81/644613981.db2.gz YJJQHPMDKOAQNH-JYRVWZFOSA-N 0 1 242.326 2.271 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000247406409 644637452 /nfs/dbraw/zinc/63/74/52/644637452.db2.gz YEHULXGDEHCKKX-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)C[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000093338505 644688568 /nfs/dbraw/zinc/68/85/68/644688568.db2.gz OSNVIBYMAXWNAT-LLVKDONJSA-N 0 1 207.321 2.278 20 0 BEADMN c1cc(CN2CC[C@@H](Oc3ccncc3)C2)co1 ZINC000093866181 644702248 /nfs/dbraw/zinc/70/22/48/644702248.db2.gz IWBAJFAFEKBCEB-CQSZACIVSA-N 0 1 244.294 2.328 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000249704114 644733094 /nfs/dbraw/zinc/73/30/94/644733094.db2.gz GKSYQUDLZVXLQK-MWLCHTKSSA-N 0 1 237.299 2.310 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000249704114 644733098 /nfs/dbraw/zinc/73/30/98/644733098.db2.gz GKSYQUDLZVXLQK-MWLCHTKSSA-N 0 1 237.299 2.310 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001017360202 644741102 /nfs/dbraw/zinc/74/11/02/644741102.db2.gz GKGFODFPCWDYRD-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCCOC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000249793996 644741205 /nfs/dbraw/zinc/74/12/05/644741205.db2.gz PGCGXVNLVCTJHP-MXWKQRLJSA-N 0 1 213.321 2.201 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000303742203 644842452 /nfs/dbraw/zinc/84/24/52/644842452.db2.gz OSLXSZCHHXYARJ-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000303741623 644842518 /nfs/dbraw/zinc/84/25/18/644842518.db2.gz IVDMBWRBCSWUEE-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN Cc1noc(C)c1-c1noc([C@H]2CCCCN2)n1 ZINC000096896366 644848143 /nfs/dbraw/zinc/84/81/43/644848143.db2.gz BEXDLOQGFACVQI-SECBINFHSA-N 0 1 248.286 2.156 20 0 BEADMN Cc1c[nH]nc1CNCc1cc2ccccc2[nH]1 ZINC000810137948 644896288 /nfs/dbraw/zinc/89/62/88/644896288.db2.gz LCUJLJDVDAJSIC-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN CCC(=O)CCN1C[C@@H](CC)O[C@@H](CC)C1 ZINC000817280996 644969282 /nfs/dbraw/zinc/96/92/82/644969282.db2.gz PDDXLTTUCLCSOP-BETUJISGSA-N 0 1 227.348 2.245 20 0 BEADMN O=C(NOCCC1CC1)[C@@H]1Cc2ccc(F)cc21 ZINC000817399649 644976763 /nfs/dbraw/zinc/97/67/63/644976763.db2.gz VEJOKWGZFBSBCR-CYBMUJFWSA-N 0 1 249.285 2.313 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCCCC1CC1 ZINC000825669922 645062843 /nfs/dbraw/zinc/06/28/43/645062843.db2.gz KLRMFBJQOBCGLD-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCSCCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000826889515 645068846 /nfs/dbraw/zinc/06/88/46/645068846.db2.gz VZSMZKXHRNWTSF-VHSXEESVSA-N 0 1 240.376 2.017 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000827864107 645087288 /nfs/dbraw/zinc/08/72/88/645087288.db2.gz SMRWBOWGIMBPCD-LBPRGKRZSA-N 0 1 227.348 2.103 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837009088 645186047 /nfs/dbraw/zinc/18/60/47/645186047.db2.gz VXNYEQSHNSINAI-FFXRNRBCSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)C(N)=NOCCOCC1CCCC1 ZINC000842040764 645237114 /nfs/dbraw/zinc/23/71/14/645237114.db2.gz ZVCHNUVOLWZSRC-UHFFFAOYSA-N 0 1 228.336 2.348 20 0 BEADMN CCc1ncc(CN[C@@H](C)C2(Cl)CC2)o1 ZINC000926537845 645264280 /nfs/dbraw/zinc/26/42/80/645264280.db2.gz QDANVEWHCDEXTR-QMMMGPOBSA-N 0 1 228.723 2.487 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000843155654 645269542 /nfs/dbraw/zinc/26/95/42/645269542.db2.gz WPFWYPQNTWIWJZ-QCLAVDOMSA-N 0 1 239.319 2.211 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ncoc2C)no1 ZINC000843224638 645272052 /nfs/dbraw/zinc/27/20/52/645272052.db2.gz QDQNFVUIYWEQDF-SSDOTTSWSA-N 0 1 236.275 2.094 20 0 BEADMN CCNCc1nc(-c2cc(C)oc2C)no1 ZINC000843224761 645272836 /nfs/dbraw/zinc/27/28/36/645272836.db2.gz SVNKLTFHYNDLHR-UHFFFAOYSA-N 0 1 221.260 2.056 20 0 BEADMN CC[C@H]1COC[C@H]1NCc1noc2ccccc21 ZINC000926671409 645347436 /nfs/dbraw/zinc/34/74/36/645347436.db2.gz BEKXXFULMQPWQL-GXFFZTMASA-N 0 1 246.310 2.342 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H](C)c1ccccn1 ZINC000926674401 645350493 /nfs/dbraw/zinc/35/04/93/645350493.db2.gz DJJDNZLHHFASBQ-NXEZZACHSA-N 0 1 246.314 2.227 20 0 BEADMN Cc1cc(C)cc(CN[C@H](C)c2cnnn2C)c1 ZINC000926695981 645363997 /nfs/dbraw/zinc/36/39/97/645363997.db2.gz IMUWNRLKPLVMLB-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@@H]1C[C@@H](NCCCC2CCC2)c2ncnn21 ZINC000926704843 645369976 /nfs/dbraw/zinc/36/99/76/645369976.db2.gz LHVKKWGAYUEICG-ZYHUDNBSSA-N 0 1 234.347 2.454 20 0 BEADMN C[C@@H](NCCCC1CCC1)c1cnn(C)n1 ZINC000926707016 645372516 /nfs/dbraw/zinc/37/25/16/645372516.db2.gz ZGCAKMDNNJDBPQ-SNVBAGLBSA-N 0 1 222.336 2.046 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC000105980653 645375222 /nfs/dbraw/zinc/37/52/22/645375222.db2.gz WXLMZTSIVTYDDH-MWLCHTKSSA-N 0 1 237.299 2.310 20 0 BEADMN CC(C)CC1(N[C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926725227 645386934 /nfs/dbraw/zinc/38/69/34/645386934.db2.gz RFWUOIWHXOTWLM-QWRGUYRKSA-N 0 1 234.347 2.452 20 0 BEADMN CC(C)CC1(N[C@H](C)c2cc(CO)on2)CC1 ZINC000926723738 645387097 /nfs/dbraw/zinc/38/70/97/645387097.db2.gz FLGLRPDSIGYDDF-SNVBAGLBSA-N 0 1 238.331 2.396 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccnn1C1CCC1 ZINC000926728719 645388886 /nfs/dbraw/zinc/38/88/86/645388886.db2.gz WQEXKQTXLSTFLY-HONMWMINSA-N 0 1 249.358 2.436 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccns1 ZINC000926759165 645407452 /nfs/dbraw/zinc/40/74/52/645407452.db2.gz RXYTXVLIGDVVLW-IEBDPFPHSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1ncccc1CN[C@@H](C)c1ccnnc1 ZINC000926760989 645408771 /nfs/dbraw/zinc/40/87/71/645408771.db2.gz PSFPSKRZHDOFHJ-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN CC[C@@H](C)[C@H](C)NCc1nnc(OC)s1 ZINC000930225403 645456340 /nfs/dbraw/zinc/45/63/40/645456340.db2.gz BHTWSXGVUPJPIQ-SFYZADRCSA-N 0 1 229.349 2.071 20 0 BEADMN C[C@@H](N[C@@H]1CCCC12CC2)c1cc(CO)on1 ZINC000926778917 645424394 /nfs/dbraw/zinc/42/43/94/645424394.db2.gz SYDRAMAVFPLUPS-BXKDBHETSA-N 0 1 236.315 2.150 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCCC12CC2 ZINC000926778906 645426228 /nfs/dbraw/zinc/42/62/28/645426228.db2.gz SWZSQVOYQSNCHC-WCBMZHEXSA-N 0 1 221.304 2.361 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@@H]1CCSC1 ZINC000926779467 645427322 /nfs/dbraw/zinc/42/73/22/645427322.db2.gz ROLWKRBPGSPZPH-PSASIEDQSA-N 0 1 241.360 2.172 20 0 BEADMN COC1(OC)CC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000926785141 645431159 /nfs/dbraw/zinc/43/11/59/645431159.db2.gz IUBBBRJMGGSXFH-AXFHLTTASA-N 0 1 231.311 2.008 20 0 BEADMN FC(F)[C@H]1CN([C@H]2C[C@H]3C=C[C@@H]2CC3)CCO1 ZINC000926822176 645442827 /nfs/dbraw/zinc/44/28/27/645442827.db2.gz JFEGNFASEQNAJA-WHOHXGKFSA-N 0 1 243.297 2.307 20 0 BEADMN C[C@@H](NC[C@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926839889 645448954 /nfs/dbraw/zinc/44/89/54/645448954.db2.gz BGCXAUBXZSHLEE-RNCFNFMXSA-N 0 1 238.331 2.254 20 0 BEADMN C[C@@H](NC[C@@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926839888 645450007 /nfs/dbraw/zinc/45/00/07/645450007.db2.gz BGCXAUBXZSHLEE-NOZJJQNGSA-N 0 1 238.331 2.254 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1(C)CC(F)(F)C1 ZINC000926841253 645451861 /nfs/dbraw/zinc/45/18/61/645451861.db2.gz HRQBCRQIVXSZSS-SSDOTTSWSA-N 0 1 245.273 2.464 20 0 BEADMN C=C/C=C\CCN[C@@H](C)c1nn(CC)nc1C ZINC000926843734 645454271 /nfs/dbraw/zinc/45/42/71/645454271.db2.gz JCABERWVLXYQFD-TVRMLOFPSA-N 0 1 234.347 2.389 20 0 BEADMN C=C/C=C\CCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000926844398 645455204 /nfs/dbraw/zinc/45/52/04/645455204.db2.gz KUJOIRWKCMSEGD-NRFYAWERSA-N 0 1 218.304 2.006 20 0 BEADMN CCN1CC[C@@H]1CN[C@@H]1CCCc2oc(C)nc21 ZINC000926858151 645460806 /nfs/dbraw/zinc/46/08/06/645460806.db2.gz KXYQETDIWAPBAG-VXGBXAGGSA-N 0 1 249.358 2.044 20 0 BEADMN C[C@@H]1OC[C@@H](NCc2cc(C3CC3)no2)[C@@H]1C ZINC000926867318 645463685 /nfs/dbraw/zinc/46/36/85/645463685.db2.gz BYWKRICKNMSWRA-VYUIOLGVSA-N 0 1 236.315 2.065 20 0 BEADMN C[C@H](NC[C@@]12C[C@@H]1CCCC2)c1cnn(C)n1 ZINC000926878094 645472259 /nfs/dbraw/zinc/47/22/59/645472259.db2.gz JVEVCUTYCUUOPF-GMXVVIOVSA-N 0 1 234.347 2.046 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000926880950 645473931 /nfs/dbraw/zinc/47/39/31/645473931.db2.gz VVMZGMPGCRHAAS-VGDYDELISA-N 0 1 235.331 2.465 20 0 BEADMN C[C@H](NC[C@]12CCC[C@H]1OCC2)c1ncco1 ZINC000926914809 645485683 /nfs/dbraw/zinc/48/56/83/645485683.db2.gz BWBWUCQXBRSCKF-DMDPSCGWSA-N 0 1 236.315 2.284 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926951695 645497989 /nfs/dbraw/zinc/49/79/89/645497989.db2.gz VFKWTWGUGKNFEX-MHSYXAOVSA-N 0 1 249.236 2.227 20 0 BEADMN CCC[C@H](O)CCN[C@@H](C)c1nccn1CC ZINC000927018765 645516467 /nfs/dbraw/zinc/51/64/67/645516467.db2.gz BLJDQJCESKMQFA-RYUDHWBXSA-N 0 1 239.363 2.105 20 0 BEADMN CCC[C@H](O)CCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000927020412 645519653 /nfs/dbraw/zinc/51/96/53/645519653.db2.gz JOYATYDBKXXLBP-GRYCIOLGSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H](NC[C@]1(C)CCCCO1)c1ccn(C)n1 ZINC000927021853 645521487 /nfs/dbraw/zinc/52/14/87/645521487.db2.gz PPTVQYACTLBZLP-YPMHNXCESA-N 0 1 237.347 2.030 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NC[C@H]1CCN1C ZINC000928557485 645816332 /nfs/dbraw/zinc/81/63/32/645816332.db2.gz SYOKDTQKYTVHKS-DGCLKSJQSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@](C)(CC)C(=O)NC[C@H]1CCN1C ZINC000928557487 645816929 /nfs/dbraw/zinc/81/69/29/645816929.db2.gz SYOKDTQKYTVHKS-YPMHNXCESA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCC[C@@H](C)C(=O)NC[C@@H]1CCN1C ZINC000928563500 645824342 /nfs/dbraw/zinc/82/43/42/645824342.db2.gz MPSGWOKRYOSMGP-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](C(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928568324 645830789 /nfs/dbraw/zinc/83/07/89/645830789.db2.gz SWPRZXCMMSJQQP-ZIAGYGMSSA-N 0 1 246.354 2.001 20 0 BEADMN CC(C)c1ccc(C(=O)NC[C@@H]2CCN2C)cc1 ZINC000928573492 645834615 /nfs/dbraw/zinc/83/46/15/645834615.db2.gz PRYAXZAMSKVBBS-AWEZNQCLSA-N 0 1 246.354 2.244 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(C(C)C)nc1 ZINC000928616715 645846417 /nfs/dbraw/zinc/84/64/17/645846417.db2.gz MKTMJLIIMZFHLH-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC(C)c1ccc(NC(=O)[C@H](C)N(C)C)cn1 ZINC000928617256 645847060 /nfs/dbraw/zinc/84/70/60/645847060.db2.gz UGDYYCHSXHHGFR-JTQLQIEISA-N 0 1 235.331 2.094 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCN[C@@H](C)C1 ZINC000884268400 645871828 /nfs/dbraw/zinc/87/18/28/645871828.db2.gz FUDWKRDRQZAHAV-SGMGOOAPSA-N 0 1 238.375 2.023 20 0 BEADMN FC(F)c1noc(CNC2(C3CC3)CCC2)n1 ZINC000887148801 645894560 /nfs/dbraw/zinc/89/45/60/645894560.db2.gz WXJHYZNMVOOUHJ-UHFFFAOYSA-N 0 1 243.257 2.430 20 0 BEADMN CN(CCOC1CC1)Cc1ccccc1F ZINC000929122746 645955780 /nfs/dbraw/zinc/95/57/80/645955780.db2.gz VIANOGWTGNBWRS-UHFFFAOYSA-N 0 1 223.291 2.437 20 0 BEADMN COC/C(C)=C/CN(C)Cc1ccco1 ZINC000929137600 645965679 /nfs/dbraw/zinc/96/56/79/645965679.db2.gz FKHHYOJOZRMMES-IZZDOVSWSA-N 0 1 209.289 2.304 20 0 BEADMN CCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000929163051 645981636 /nfs/dbraw/zinc/98/16/36/645981636.db2.gz ZMRMBLDKSWARIC-UHFFFAOYSA-N 0 1 239.225 2.250 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@@H](C)C1 ZINC000929212135 646010467 /nfs/dbraw/zinc/01/04/67/646010467.db2.gz QILLECXUNFDRCR-MNOVXSKESA-N 0 1 205.305 2.270 20 0 BEADMN COC(=O)c1cncc(CN2CCCC[C@H]2C)c1 ZINC000929218064 646017924 /nfs/dbraw/zinc/01/79/24/646017924.db2.gz NSVFFYVHZULMGV-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000924413055 646032115 /nfs/dbraw/zinc/03/21/15/646032115.db2.gz PWVMPBZDLUZRBA-RNCFNFMXSA-N 0 1 249.314 2.328 20 0 BEADMN CCC[C@@H](C)N[C@@H](C)c1cc(CO)on1 ZINC000924528247 646049202 /nfs/dbraw/zinc/04/92/02/646049202.db2.gz LVURPEFOPRUDHC-BDAKNGLRSA-N 0 1 212.293 2.006 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CCCO1 ZINC000924542241 646062246 /nfs/dbraw/zinc/06/22/46/646062246.db2.gz HZEGVQIAINMDIX-MNOVXSKESA-N 0 1 236.315 2.129 20 0 BEADMN Cc1cc(C)n(CCCN[C@H](C)c2ncco2)n1 ZINC000924557802 646068261 /nfs/dbraw/zinc/06/82/61/646068261.db2.gz RWOWIBLAOYSATO-GFCCVEGCSA-N 0 1 248.330 2.229 20 0 BEADMN Cc1cccc([C@H](NCCO)c2ccccn2)c1 ZINC000924571069 646070695 /nfs/dbraw/zinc/07/06/95/646070695.db2.gz SCFFZZWPYSJANH-HNNXBMFYSA-N 0 1 242.322 2.061 20 0 BEADMN C[C@H]1C[C@@H](NCCc2ccsc2)c2ncnn21 ZINC000924604062 646074303 /nfs/dbraw/zinc/07/43/03/646074303.db2.gz YPOSRFXPBWVWMU-GXSJLCMTSA-N 0 1 248.355 2.178 20 0 BEADMN c1ccc2c(c1)CN(CCOC1CC1)CCO2 ZINC000929315050 646077142 /nfs/dbraw/zinc/07/71/42/646077142.db2.gz WJXSJEOKIHNKPF-UHFFFAOYSA-N 0 1 233.311 2.060 20 0 BEADMN COC/C(C)=C/CN1C[C@@H](C)OC(C)(C)C1 ZINC000929347216 646089840 /nfs/dbraw/zinc/08/98/40/646089840.db2.gz DQPMVIXXMXBMMF-IGEMTJHASA-N 0 1 227.348 2.078 20 0 BEADMN C[C@H](NCc1ccccc1CO)c1ccns1 ZINC000924761146 646102950 /nfs/dbraw/zinc/10/29/50/646102950.db2.gz PFZWFWQDGUBFFD-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCCO[C@H](C)C1 ZINC000929487421 646142288 /nfs/dbraw/zinc/14/22/88/646142288.db2.gz HDSDFHMMJCKQLF-GHMZBOCLSA-N 0 1 238.306 2.393 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000929491866 646145595 /nfs/dbraw/zinc/14/55/95/646145595.db2.gz YXNAUIFPNSCKCF-ZDUSSCGKSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1cc(C)nc(CN2CCCO[C@@H](C)C2)c1 ZINC000929491866 646145598 /nfs/dbraw/zinc/14/55/98/646145598.db2.gz YXNAUIFPNSCKCF-ZDUSSCGKSA-N 0 1 234.343 2.309 20 0 BEADMN CCc1onc(C)c1C[N@H+]1CCC[C@H](OC)C1 ZINC000929508009 646160353 /nfs/dbraw/zinc/16/03/53/646160353.db2.gz UXSRGTPBLXUMCQ-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CCc1onc(C)c1CN1CCC[C@H](OC)C1 ZINC000929508009 646160354 /nfs/dbraw/zinc/16/03/54/646160354.db2.gz UXSRGTPBLXUMCQ-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CSC[C@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925094860 646181374 /nfs/dbraw/zinc/18/13/74/646181374.db2.gz HYAKIQRHRPOZKC-UWVGGRQHSA-N 0 1 242.392 2.261 20 0 BEADMN Cc1cc(CN[C@H](C)c2cc(O)cc(F)c2)[nH]n1 ZINC000925104780 646186692 /nfs/dbraw/zinc/18/66/92/646186692.db2.gz WZXHCXDVPMADDR-SECBINFHSA-N 0 1 249.289 2.414 20 0 BEADMN COc1cc([C@H](C)NC[C@@H](OC)C(C)C)on1 ZINC000925191642 646197929 /nfs/dbraw/zinc/19/79/29/646197929.db2.gz OLBMCBLSXCVXOC-GXSJLCMTSA-N 0 1 242.319 2.005 20 0 BEADMN COc1cc([C@H](C)NC[C@H](OC)C(C)C)on1 ZINC000925191647 646200209 /nfs/dbraw/zinc/20/02/09/646200209.db2.gz OLBMCBLSXCVXOC-ONGXEEELSA-N 0 1 242.319 2.005 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cn(C)cn1)C(C)(C)C ZINC000925187071 646201716 /nfs/dbraw/zinc/20/17/16/646201716.db2.gz BGAQPBNQHNFNTM-PWSUYJOCSA-N 0 1 239.363 2.132 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cc[nH]n1 ZINC000929623418 646207413 /nfs/dbraw/zinc/20/74/13/646207413.db2.gz BUAIYMYYMUQLKR-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN C[C@H](NCCNc1ccccc1)c1cn(C)cn1 ZINC000925233448 646216710 /nfs/dbraw/zinc/21/67/10/646216710.db2.gz VNLYGWBZSSOKAK-LBPRGKRZSA-N 0 1 244.342 2.183 20 0 BEADMN Cc1cn(C)nc1CN(C)CCc1cccs1 ZINC000929731719 646276759 /nfs/dbraw/zinc/27/67/59/646276759.db2.gz SEARSZVMCVLFGQ-UHFFFAOYSA-N 0 1 249.383 2.465 20 0 BEADMN FC1(F)[C@@H]2C[C@@H](CN3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC000929759008 646291512 /nfs/dbraw/zinc/29/15/12/646291512.db2.gz HKHLPZJTPLOJFC-YZCVJGAOSA-N 0 1 243.297 2.141 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nncs1 ZINC000929764607 646296316 /nfs/dbraw/zinc/29/63/16/646296316.db2.gz XMNCWCRUFHJVNQ-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1c2ccccc2CN1CCO[C@@H]1CCOC1 ZINC000929766554 646297633 /nfs/dbraw/zinc/29/76/33/646297633.db2.gz OECNNSSMQXLTBC-TZMCWYRMSA-N 0 1 247.338 2.369 20 0 BEADMN CC(C)C1(CN[C@H](C)c2cc(CO)on2)CC1 ZINC000925510223 646308890 /nfs/dbraw/zinc/30/88/90/646308890.db2.gz URMNOOQEXGLXEK-SNVBAGLBSA-N 0 1 238.331 2.254 20 0 BEADMN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ncco1 ZINC000925552202 646328466 /nfs/dbraw/zinc/32/84/66/646328466.db2.gz WDIQZEJFKVILNU-WCBMZHEXSA-N 0 1 232.287 2.126 20 0 BEADMN CCN(C/C(C)=C\C(=O)OC)Cc1ccccn1 ZINC000929826941 646341376 /nfs/dbraw/zinc/34/13/76/646341376.db2.gz ZUSCWTGQSDSUKN-XFXZXTDPSA-N 0 1 248.326 2.023 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC[S@@](=O)C(F)(F)F ZINC000929827266 646342387 /nfs/dbraw/zinc/34/23/87/646342387.db2.gz BFRIDACCNVOWLY-KDZIRCDLSA-N 0 1 243.294 2.128 20 0 BEADMN CCc1onc(C)c1CN(C)CC(C)(C)OC ZINC000929830270 646347970 /nfs/dbraw/zinc/34/79/70/646347970.db2.gz CVYCQORCEZHNQF-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN C[C@H](NCc1cccc(F)n1)C1(Cl)CC1 ZINC000925593238 646348169 /nfs/dbraw/zinc/34/81/69/646348169.db2.gz MBNLBRLPYIICIK-QMMMGPOBSA-N 0 1 228.698 2.470 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC(C)(O)CC1 ZINC000929838313 646352442 /nfs/dbraw/zinc/35/24/42/646352442.db2.gz VDWJVVILHHOCGE-SNVBAGLBSA-N 0 1 238.306 2.129 20 0 BEADMN CCn1nc(C)c([C@H](C)NC[C@H](C)SC)n1 ZINC000925602814 646355458 /nfs/dbraw/zinc/35/54/58/646355458.db2.gz WREWMMBSJLTEDA-IUCAKERBSA-N 0 1 242.392 2.009 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC(C(F)F)CC1 ZINC000929844165 646356597 /nfs/dbraw/zinc/35/65/97/646356597.db2.gz CXNZMLGNSPGUBG-VQHVLOKHSA-N 0 1 247.285 2.083 20 0 BEADMN COC/C(C)=C/CN1CCOC2(CCCC2)C1 ZINC000929846214 646358980 /nfs/dbraw/zinc/35/89/80/646358980.db2.gz IJDHGNVGDUICFE-WLRTZDKTSA-N 0 1 239.359 2.224 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000929887368 646368793 /nfs/dbraw/zinc/36/87/93/646368793.db2.gz UTKABPAOEMEJDH-PRWOLLLXSA-N 0 1 248.326 2.271 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC000929917364 646373360 /nfs/dbraw/zinc/37/33/60/646373360.db2.gz XCWRUBULQPYTIJ-UHFFFAOYSA-N 0 1 249.358 2.407 20 0 BEADMN COC/C(C)=C\CN(C)Cc1cccc(C)n1 ZINC000929994220 646387418 /nfs/dbraw/zinc/38/74/18/646387418.db2.gz UAJWQNGTSYMSCV-WQLSENKSSA-N 0 1 234.343 2.415 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ncco2)n[nH]1 ZINC000925658256 646393457 /nfs/dbraw/zinc/39/34/57/646393457.db2.gz HUDKCEOWAOXBDB-DTWKUNHWSA-N 0 1 249.318 2.328 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2ncco2)n[nH]1 ZINC000925658258 646393954 /nfs/dbraw/zinc/39/39/54/646393954.db2.gz HUDKCEOWAOXBDB-RKDXNWHRSA-N 0 1 249.318 2.328 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)C2(Cl)CC2)n[nH]1 ZINC000925658030 646394228 /nfs/dbraw/zinc/39/42/28/646394228.db2.gz QLTOBLFLRWZCOL-YUMQZZPRSA-N 0 1 242.754 2.178 20 0 BEADMN Cn1cnc(CN[C@@H](C2CCC2)C2CCCC2)n1 ZINC000925671510 646401069 /nfs/dbraw/zinc/40/10/69/646401069.db2.gz CUSWELKPTJJRQC-CQSZACIVSA-N 0 1 248.374 2.264 20 0 BEADMN Fc1cccc2c1CCN(CCOC1CC1)C2 ZINC000930100083 646436639 /nfs/dbraw/zinc/43/66/39/646436639.db2.gz QZOLFUNBLMODAX-UHFFFAOYSA-N 0 1 235.302 2.363 20 0 BEADMN COCC1(N(C)Cc2cc(C)cc(C)n2)CC1 ZINC000930121526 646442576 /nfs/dbraw/zinc/44/25/76/646442576.db2.gz UTPGRDFXVVPCMZ-UHFFFAOYSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)F)C2)c(C)nn1 ZINC000930125378 646446081 /nfs/dbraw/zinc/44/60/81/646446081.db2.gz CMKPYJVPTZPNHK-SNVBAGLBSA-N 0 1 241.285 2.180 20 0 BEADMN CC[C@]1(C)COCCN1C/C=C(\C)COC ZINC000930124387 646448231 /nfs/dbraw/zinc/44/82/31/646448231.db2.gz SQESMPJPMTWVFJ-XEVNVYFWSA-N 0 1 227.348 2.080 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)F)C2)c(C)nn1 ZINC000930125370 646448329 /nfs/dbraw/zinc/44/83/29/646448329.db2.gz CMKPYJVPTZPNHK-JTQLQIEISA-N 0 1 241.285 2.180 20 0 BEADMN O=C(NCC1CCC1)c1cc(F)cc(F)c1O ZINC000930152420 646460558 /nfs/dbraw/zinc/46/05/58/646460558.db2.gz FWDDAOUBHUGDIJ-UHFFFAOYSA-N 0 1 241.237 2.200 20 0 BEADMN CCOCCN(C)[C@@H](C)c1ccc(F)nc1 ZINC000930175366 646476638 /nfs/dbraw/zinc/47/66/38/646476638.db2.gz KADWAHNGZSWMOH-JTQLQIEISA-N 0 1 226.295 2.250 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)C[C@H](C)O ZINC000926130533 646581373 /nfs/dbraw/zinc/58/13/73/646581373.db2.gz LTWCZOPYPXCASA-YWVKMMECSA-N 0 1 238.331 2.109 20 0 BEADMN CC(C)(C)[C@@H](NCC(F)(F)CO)C1CC1 ZINC000926194605 646592602 /nfs/dbraw/zinc/59/26/02/646592602.db2.gz WLRGRRVMIMYOSV-VIFPVBQESA-N 0 1 221.291 2.028 20 0 BEADMN CCOC(C)(C)CN[C@H](C)c1cc(OC)no1 ZINC000926232739 646601689 /nfs/dbraw/zinc/60/16/89/646601689.db2.gz PVKXACWNEXCDRJ-SECBINFHSA-N 0 1 242.319 2.149 20 0 BEADMN CC(C)=CCCN[C@@H](C)c1nonc1C ZINC000926264233 646608982 /nfs/dbraw/zinc/60/89/82/646608982.db2.gz FBWBQHZOUACSPT-VIFPVBQESA-N 0 1 209.293 2.385 20 0 BEADMN C[C@H](N[C@H]1CC12CCCC2)c1cc(CO)on1 ZINC000926281158 646610664 /nfs/dbraw/zinc/61/06/64/646610664.db2.gz NDCPYIGNWXTYJV-CABZTGNLSA-N 0 1 236.315 2.150 20 0 BEADMN CC(C)SCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000926419493 646632493 /nfs/dbraw/zinc/63/24/93/646632493.db2.gz APQBKNXEGFNORF-UWVGGRQHSA-N 0 1 240.376 2.015 20 0 BEADMN C[C@H](N[C@H]1CCC1(C)C)c1cc(CO)on1 ZINC000926423225 646635247 /nfs/dbraw/zinc/63/52/47/646635247.db2.gz JIKZDOQQIYNUFM-KWQFWETISA-N 0 1 224.304 2.006 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000926424472 646635449 /nfs/dbraw/zinc/63/54/49/646635449.db2.gz QGLGXHIYWYWBNS-VXNVDRBHSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H](N[C@@H]1CCC1(C)C)c1cc(CO)on1 ZINC000926423229 646635697 /nfs/dbraw/zinc/63/56/97/646635697.db2.gz JIKZDOQQIYNUFM-LDYMZIIASA-N 0 1 224.304 2.006 20 0 BEADMN Cc1nonc1[C@H](C)NCC1CC(F)(F)C1 ZINC000926463878 646649220 /nfs/dbraw/zinc/64/92/20/646649220.db2.gz FJBRIIGVDIGBKF-LURJTMIESA-N 0 1 231.246 2.074 20 0 BEADMN CC(C)n1cc([C@H](C)NCC[C@@H](C)F)nn1 ZINC000926484829 646656008 /nfs/dbraw/zinc/65/60/08/646656008.db2.gz FMRNYCDZHLKGJF-ZJUUUORDSA-N 0 1 228.315 2.258 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000926490795 646661108 /nfs/dbraw/zinc/66/11/08/646661108.db2.gz YTDNILGDVMRFPC-KRTXAFLBSA-N 0 1 245.244 2.228 20 0 BEADMN CCN(Cc1[nH]c(C)nc1C)C[C@@H]1CCCO1 ZINC000724782533 711614066 /nfs/dbraw/zinc/61/40/66/711614066.db2.gz GLHDDJGYIVEYCO-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2cnsn2)[C@@H]1C ZINC000399772946 711760246 /nfs/dbraw/zinc/76/02/46/711760246.db2.gz GJKWPPJXWWXICA-FXPVBKGRSA-N 0 1 225.361 2.452 20 0 BEADMN CC(F)(F)CCC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721269062 711863606 /nfs/dbraw/zinc/86/36/06/711863606.db2.gz XETSHTFGPQULKF-AEJSXWLSSA-N 0 1 247.285 2.074 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032791607 711940256 /nfs/dbraw/zinc/94/02/56/711940256.db2.gz AXWZMDGCEKOTDS-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1occc1CN[C@@]1(C)CC1(C)C ZINC000701969521 712033758 /nfs/dbraw/zinc/03/37/58/712033758.db2.gz RLARDUWEBRQDQK-ZDUSSCGKSA-N 0 1 237.299 2.344 20 0 BEADMN C[C@@H](CF)NCc1cccc2c1OCC2 ZINC000702605790 712056551 /nfs/dbraw/zinc/05/65/51/712056551.db2.gz GQWLTNYRRJLRKI-VIFPVBQESA-N 0 1 209.264 2.069 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000704749046 712114783 /nfs/dbraw/zinc/11/47/83/712114783.db2.gz UJTNMBNOKLVIIQ-LPEHRKFASA-N 0 1 247.285 2.217 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000704738517 712115088 /nfs/dbraw/zinc/11/50/88/712115088.db2.gz KLWZLOKZDPBHTN-SNVBAGLBSA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000704738517 712115090 /nfs/dbraw/zinc/11/50/90/712115090.db2.gz KLWZLOKZDPBHTN-SNVBAGLBSA-N 0 1 235.274 2.218 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCSC2)o1 ZINC000704812655 712118566 /nfs/dbraw/zinc/11/85/66/712118566.db2.gz OTBKAIHRZVKTES-SNVBAGLBSA-N 0 1 226.345 2.216 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1ccc(Cl)o1 ZINC000710909383 712262576 /nfs/dbraw/zinc/26/25/76/712262576.db2.gz YKUDUCJMFBSLHZ-VXNVDRBHSA-N 0 1 215.680 2.058 20 0 BEADMN C[C@H]1COC[C@H]1NCc1ccc(Cl)o1 ZINC000710909382 712262800 /nfs/dbraw/zinc/26/28/00/712262800.db2.gz YKUDUCJMFBSLHZ-IONNQARKSA-N 0 1 215.680 2.058 20 0 BEADMN O=C([O-])CCCCC[N@H+]1CCC[C@H](CF)C1 ZINC000711449246 712302537 /nfs/dbraw/zinc/30/25/37/712302537.db2.gz DHCJVFFEQVDZIV-LLVKDONJSA-N 0 1 231.311 2.313 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](CF)C2)s1 ZINC000711488743 712306683 /nfs/dbraw/zinc/30/66/83/712306683.db2.gz FUZWVGQOQYCJHB-QMMMGPOBSA-N 0 1 243.303 2.238 20 0 BEADMN O[C@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000378715716 712357572 /nfs/dbraw/zinc/35/75/72/712357572.db2.gz YXUGRCRPSDORFU-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN CC(C)(C)[C@H](CO)NC/C(Cl)=C\Cl ZINC000379395310 712381242 /nfs/dbraw/zinc/38/12/42/712381242.db2.gz ZCTLEDRJXCHENI-IPWDFOCMSA-N 0 1 226.147 2.302 20 0 BEADMN CC(C)CN(C)Cn1cc(Br)cn1 ZINC000379410500 712383354 /nfs/dbraw/zinc/38/33/54/712383354.db2.gz GEGWSFFBMTWAHG-UHFFFAOYSA-N 0 1 246.152 2.191 20 0 BEADMN CC[C@@](C)(NCCN1CCCC1)C(F)(F)F ZINC000379465700 712385586 /nfs/dbraw/zinc/38/55/86/712385586.db2.gz XHZCZGWLKCEPBF-SNVBAGLBSA-N 0 1 238.297 2.403 20 0 BEADMN CC[C@]1(NCc2scnc2Cl)CCOC1 ZINC000713461420 712460916 /nfs/dbraw/zinc/46/09/16/712460916.db2.gz KFCGNSOXYWZRAR-JTQLQIEISA-N 0 1 246.763 2.455 20 0 BEADMN C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000713725272 712470092 /nfs/dbraw/zinc/47/00/92/712470092.db2.gz GXUKOKASWYSFBZ-KBIXYVOKSA-N 0 1 223.316 2.161 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714339318 712482775 /nfs/dbraw/zinc/48/27/75/712482775.db2.gz NRZRVHPLAUNORM-WDEREUQCSA-N 0 1 243.347 2.129 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714339313 712483040 /nfs/dbraw/zinc/48/30/40/712483040.db2.gz NRZRVHPLAUNORM-MNOVXSKESA-N 0 1 243.347 2.129 20 0 BEADMN O=C([O-])C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CC1 ZINC000715440451 712518747 /nfs/dbraw/zinc/51/87/47/712518747.db2.gz MGPXZLVBVOPJDT-OLZOCXBDSA-N 0 1 237.343 2.219 20 0 BEADMN Cc1nc(CN[C@H]2CC23CC3)sc1C ZINC000715343326 712521152 /nfs/dbraw/zinc/52/11/52/712521152.db2.gz KFSDYHIYNXNENK-VIFPVBQESA-N 0 1 208.330 2.402 20 0 BEADMN CC[C@H](C[C@H](C)O)NCc1ncc(Cl)s1 ZINC000716956093 712599910 /nfs/dbraw/zinc/59/99/10/712599910.db2.gz SAQAMQDIMNHQRG-JGVFFNPUSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@@H](C[C@H](C)O)NCc1csc(C)n1 ZINC000716953357 712599523 /nfs/dbraw/zinc/59/95/23/712599523.db2.gz HJUFFZQVHKCVCK-WPRPVWTQSA-N 0 1 228.361 2.091 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CC(C)(C)CO2)o1 ZINC000717359148 712650762 /nfs/dbraw/zinc/65/07/62/712650762.db2.gz OQQLRMLYBKRNPL-LLVKDONJSA-N 0 1 238.331 2.278 20 0 BEADMN CCc1noc(CNC2(C3CC3)CCC2)n1 ZINC000717836457 712686304 /nfs/dbraw/zinc/68/63/04/712686304.db2.gz RPAWPLFBCPFSKV-UHFFFAOYSA-N 0 1 221.304 2.054 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC1(C)CCCC1 ZINC000389692501 712689946 /nfs/dbraw/zinc/68/99/46/712689946.db2.gz HZBIUWBTSOXGSL-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN COCC1(NCc2cc(C)oc2C)CC1 ZINC000389976589 712693258 /nfs/dbraw/zinc/69/32/58/712693258.db2.gz GABVEJZVECOPFH-UHFFFAOYSA-N 0 1 209.289 2.165 20 0 BEADMN CC(C)(O)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000719707129 712823295 /nfs/dbraw/zinc/82/32/95/712823295.db2.gz OZOASUAIKVQNMP-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1cc([C@@H](C)NCC[N+](=O)[O-])c(C)s1 ZINC000380296182 712863766 /nfs/dbraw/zinc/86/37/66/712863766.db2.gz CSUJRKUGZOQNBG-MRVPVSSYSA-N 0 1 228.317 2.292 20 0 BEADMN Cc1cccc(C)c1NCc1nnc[nH]1 ZINC000238510241 1166894170 /nfs/dbraw/zinc/89/41/70/1166894170.db2.gz GMHBABVNPUZCRL-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN CS/C=C\c1nc([C@H](N)C(C)C)no1 ZINC000393606258 710633205 /nfs/dbraw/zinc/63/32/05/710633205.db2.gz MLRZVFYJLVKWGA-PULIVWKDSA-N 0 1 213.306 2.059 20 0 BEADMN CCc1cc(CNc2cccc(C)n2)n[nH]1 ZINC000381476799 710644008 /nfs/dbraw/zinc/64/40/08/710644008.db2.gz RBDVKFTUUWNLCB-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CS/C=C\c1nc([C@@H](N)CC(C)C)no1 ZINC000381488152 710645455 /nfs/dbraw/zinc/64/54/55/710645455.db2.gz WEBDWYLQHBYSAN-LGYSABEFSA-N 0 1 227.333 2.449 20 0 BEADMN C[C@H](N[C@H]1CCC(F)(F)C1)c1ncc[nH]1 ZINC000393661929 710651731 /nfs/dbraw/zinc/65/17/31/710651731.db2.gz YZIHTXPDCSOWKO-YUMQZZPRSA-N 0 1 215.247 2.248 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1cn(C)cn1 ZINC000381645993 710666243 /nfs/dbraw/zinc/66/62/43/710666243.db2.gz BRKMNNZCOCIWIU-MRVPVSSYSA-N 0 1 235.253 2.241 20 0 BEADMN CCO[C@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000721237716 712899921 /nfs/dbraw/zinc/89/99/21/712899921.db2.gz SWWCSXGJSCSQRF-YPMHNXCESA-N 0 1 238.331 2.420 20 0 BEADMN CCOC(=O)/C=C\CN(C)Cc1cccs1 ZINC000380400423 712900588 /nfs/dbraw/zinc/90/05/88/712900588.db2.gz COODDWWMJXXAPH-DAXSKMNVSA-N 0 1 239.340 2.299 20 0 BEADMN COC(=O)c1ccc([C@@H](C)N2C[C@@H]3C[C@@H]3C2)o1 ZINC000380408661 712900711 /nfs/dbraw/zinc/90/07/11/712900711.db2.gz XLBLWISFKLFCBU-BBBLOLIVSA-N 0 1 235.283 2.079 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cccc(Cl)n1 ZINC000724119593 710738657 /nfs/dbraw/zinc/73/86/57/710738657.db2.gz IEVFWBQMSIGVKK-WDEREUQCSA-N 0 1 240.734 2.344 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723784915 710731671 /nfs/dbraw/zinc/73/16/71/710731671.db2.gz COFIKTKFLKOQKN-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000723824068 710733213 /nfs/dbraw/zinc/73/32/13/710733213.db2.gz OFNCSFUHWREGPE-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])C[C@@]1(C)CCCS1 ZINC000382046463 710767829 /nfs/dbraw/zinc/76/78/29/710767829.db2.gz ZOHYUQYZBDDPHX-GFCCVEGCSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H]1CN(CCSC(C)(C)C)CCO1 ZINC000801909939 710873385 /nfs/dbraw/zinc/87/33/85/710873385.db2.gz IQQMNQIKMRCUKD-SNVBAGLBSA-N 0 1 217.378 2.239 20 0 BEADMN CCOC(=O)/C=C\CN1CCC(C)=C(C)C1 ZINC000382524420 710946300 /nfs/dbraw/zinc/94/63/00/710946300.db2.gz DCXXAVNUTDFIFR-WAYWQWQTSA-N 0 1 223.316 2.148 20 0 BEADMN Cc1nonc1CN[C@H](C)CC(C)(C)C ZINC000384470454 710994933 /nfs/dbraw/zinc/99/49/33/710994933.db2.gz RHVGFBIJZYZTQF-MRVPVSSYSA-N 0 1 211.309 2.292 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC000380623105 712902055 /nfs/dbraw/zinc/90/20/55/712902055.db2.gz GVYFELSFKUPSDN-NXEZZACHSA-N 0 1 234.299 2.010 20 0 BEADMN CCC[C@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])OC ZINC000386113077 711022410 /nfs/dbraw/zinc/02/24/10/711022410.db2.gz LUBDAQLKNVURRV-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CC1(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CCCC1 ZINC000380775617 712903023 /nfs/dbraw/zinc/90/30/23/712903023.db2.gz AMALIENQNAFRNH-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN CN(C/C=C/Cl)CCOC(C)(C)C ZINC000388602521 711064033 /nfs/dbraw/zinc/06/40/33/711064033.db2.gz SMHBUWSTUWPRIT-AATRIKPKSA-N 0 1 205.729 2.486 20 0 BEADMN CCC(C)(C)CNCc1nnc(C)s1 ZINC000389229031 711073566 /nfs/dbraw/zinc/07/35/66/711073566.db2.gz SCWSSTKIOOSRCM-UHFFFAOYSA-N 0 1 213.350 2.372 20 0 BEADMN C=CCN1CCCN(C(=O)C(CC)CC)CC1 ZINC000072252748 711126863 /nfs/dbraw/zinc/12/68/63/711126863.db2.gz MHNXGIWIXRPJLY-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN CC(C)CCC[C@H](C)NCc1cnn(C)n1 ZINC000390642473 711130566 /nfs/dbraw/zinc/13/05/66/711130566.db2.gz LIIFCYRTQGLXSU-NSHDSACASA-N 0 1 224.352 2.120 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCC1CC1 ZINC000394480722 711192771 /nfs/dbraw/zinc/19/27/71/711192771.db2.gz KZWGWQSWMPWMRZ-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@@H](C)[N@@H+](CCCC1CC1)CC(=O)[O-] ZINC000394658337 711197039 /nfs/dbraw/zinc/19/70/39/711197039.db2.gz NGDJTYFCBZOLKK-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)(CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)C(=O)[O-] ZINC000396034285 711220002 /nfs/dbraw/zinc/22/00/02/711220002.db2.gz ODRKKSQOHHWAPX-TXEJJXNPSA-N 0 1 237.343 2.385 20 0 BEADMN CCOC(=O)CN(CCC1CCC1)C(C)C ZINC000398786155 711415763 /nfs/dbraw/zinc/41/57/63/711415763.db2.gz DVRPEGDNXWEMDM-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000399518605 711431025 /nfs/dbraw/zinc/43/10/25/711431025.db2.gz JDXWEMDIQBCQTE-PWSUYJOCSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1CC[C@@H](O)CN1CCSC(F)(F)F ZINC000399218732 711424804 /nfs/dbraw/zinc/42/48/04/711424804.db2.gz VDMJANORWQDFOP-HTQZYQBOSA-N 0 1 243.294 2.085 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000399301735 711426908 /nfs/dbraw/zinc/42/69/08/711426908.db2.gz NIKPXSMNZZHVMY-AWEZNQCLSA-N 0 1 248.326 2.402 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000380891691 710594517 /nfs/dbraw/zinc/59/45/17/710594517.db2.gz OPPCPSNYFLWPAC-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CCO)C2CC2)cs1 ZINC000381341190 710625494 /nfs/dbraw/zinc/62/54/94/710625494.db2.gz XQYJCRIFUVKEPM-LDYMZIIASA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nonc1CNCC1CCCCCC1 ZINC000381482124 710643648 /nfs/dbraw/zinc/64/36/48/710643648.db2.gz FETNAUCMVMYWFK-UHFFFAOYSA-N 0 1 223.320 2.438 20 0 BEADMN CC(C)(C)c1coc(CNCCCCCO)n1 ZINC000724414411 710740897 /nfs/dbraw/zinc/74/08/97/710740897.db2.gz UKCUEOZRCAOVHQ-UHFFFAOYSA-N 0 1 240.347 2.224 20 0 BEADMN CCNCc1nc(-c2ccc(C)s2)no1 ZINC000384207539 710833007 /nfs/dbraw/zinc/83/30/07/710833007.db2.gz BBWACTPSQBVGHB-UHFFFAOYSA-N 0 1 223.301 2.216 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC000384974742 711000890 /nfs/dbraw/zinc/00/08/90/711000890.db2.gz HVONOMBPYHNAFK-FZMZJTMJSA-N 0 1 242.326 2.155 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000392459708 711147986 /nfs/dbraw/zinc/14/79/86/711147986.db2.gz MDKJYHOZKOEQSU-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN C[C@H]1C[C@H](NCc2ncc(Cl)n2C)CS1 ZINC000393297114 711156208 /nfs/dbraw/zinc/15/62/08/711156208.db2.gz FJPHDGZFOULIOC-YUMQZZPRSA-N 0 1 245.779 2.057 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000393296658 711156100 /nfs/dbraw/zinc/15/61/00/711156100.db2.gz PPQODSDIGQVHID-NNYUYHANSA-N 0 1 235.331 2.046 20 0 BEADMN CC(C)(C)[C@@H](Cn1ccnc1)NCc1cocn1 ZINC000395197601 711204736 /nfs/dbraw/zinc/20/47/36/711204736.db2.gz TZHKCNUNYXDZLJ-GFCCVEGCSA-N 0 1 248.330 2.076 20 0 BEADMN C[C@H](NCCCC1CC1)c1csnn1 ZINC000398315358 711407815 /nfs/dbraw/zinc/40/78/15/711407815.db2.gz SOLMYMIWJJTERG-QMMMGPOBSA-N 0 1 211.334 2.379 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722608236 711455439 /nfs/dbraw/zinc/45/54/39/711455439.db2.gz DLDRXVLYAKXTMP-IJLUTSLNSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1[nH+]c(NCC2(C)CC2)ccc1C(=O)[O-] ZINC000235944969 711486471 /nfs/dbraw/zinc/48/64/71/711486471.db2.gz RXMZPZGLQNXIIW-UHFFFAOYSA-N 0 1 220.272 2.300 20 0 BEADMN Fc1ccc2c(c1)CC[C@H]2NCc1c[nH]cn1 ZINC000134287494 711498693 /nfs/dbraw/zinc/49/86/93/711498693.db2.gz LSTJNIJXRZMOGR-CYBMUJFWSA-N 0 1 231.274 2.326 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000723126428 711506565 /nfs/dbraw/zinc/50/65/65/711506565.db2.gz OCYGLNRBQOBSOX-WYUUTHIRSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NC/C(Cl)=C\Cl ZINC000393550526 711517228 /nfs/dbraw/zinc/51/72/28/711517228.db2.gz CYARENWZAZOVRX-YUHKZXITSA-N 0 1 224.131 2.463 20 0 BEADMN CC(C)NCc1cn(CC2CC(C)(C)C2)nn1 ZINC000723567638 711518177 /nfs/dbraw/zinc/51/81/77/711518177.db2.gz KZCDSJMZSAHAIX-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN O=C([O-])CCCC[N@@H+](Cc1ccoc1)C1CC1 ZINC000723733564 711535328 /nfs/dbraw/zinc/53/53/28/711535328.db2.gz YPWIGZSIZSZHAH-UHFFFAOYSA-N 0 1 237.299 2.499 20 0 BEADMN CC(F)(F)CN[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723962102 711548090 /nfs/dbraw/zinc/54/80/90/711548090.db2.gz BHSTXBGLDPEPPQ-MNOVXSKESA-N 0 1 233.302 2.436 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NCc2ncccn2)CCO1 ZINC000721509929 711580418 /nfs/dbraw/zinc/58/04/18/711580418.db2.gz ZWAPHWYZJCUKIG-VXGBXAGGSA-N 0 1 249.358 2.160 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000724776086 711612808 /nfs/dbraw/zinc/61/28/08/711612808.db2.gz VVKYWTVUILDCIY-ZJUUUORDSA-N 0 1 237.347 2.026 20 0 BEADMN CCN(Cc1[nH]c(C)nc1C)[C@@H]1CCCOC1 ZINC000724792440 711614919 /nfs/dbraw/zinc/61/49/19/711614919.db2.gz YCEDYGUWWVYBGJ-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1cncc(C(=O)[O-])c1 ZINC000721538871 711620031 /nfs/dbraw/zinc/62/00/31/711620031.db2.gz FQMZPZHWLRJSJD-SNVBAGLBSA-N 0 1 236.315 2.400 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721537781 711620195 /nfs/dbraw/zinc/62/01/95/711620195.db2.gz COSWIORDIXLMHW-SNVBAGLBSA-N 0 1 234.299 2.154 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721544089 711621112 /nfs/dbraw/zinc/62/11/12/711621112.db2.gz AVPHJCGJTQAEMD-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC23CC(O)C3)o1 ZINC000724931348 711630675 /nfs/dbraw/zinc/63/06/75/711630675.db2.gz MPZXLBYQSHQELO-XEMZESFUSA-N 0 1 247.338 2.406 20 0 BEADMN OC1CC2(C[C@@H]2NCc2ccsc2Cl)C1 ZINC000725000022 711642763 /nfs/dbraw/zinc/64/27/63/711642763.db2.gz ISMDLXXYVAIZJG-YUCVTWSNSA-N 0 1 243.759 2.405 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000136276799 711647377 /nfs/dbraw/zinc/64/73/77/711647377.db2.gz ZGZYGPAIRCMMOF-IUCAKERBSA-N 0 1 238.287 2.136 20 0 BEADMN O[C@H](CN1CCC1)c1cccc(C(F)(F)F)c1 ZINC000383103108 711667973 /nfs/dbraw/zinc/66/79/73/711667973.db2.gz CHXLSLPLTADZMX-LLVKDONJSA-N 0 1 245.244 2.445 20 0 BEADMN CCc1cnccc1-c1noc([C@H](CC)NC)n1 ZINC000167497802 711683953 /nfs/dbraw/zinc/68/39/53/711683953.db2.gz YIEXBRDUCBEQPG-NSHDSACASA-N 0 1 246.314 2.365 20 0 BEADMN C[C@@H](NCc1ccc(F)nc1)c1ccc[nH]1 ZINC000309749786 711689450 /nfs/dbraw/zinc/68/94/50/711689450.db2.gz GKTSYCVLTSHEAK-SECBINFHSA-N 0 1 219.263 2.400 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000136276883 711694997 /nfs/dbraw/zinc/69/49/97/711694997.db2.gz ZGZYGPAIRCMMOF-BDAKNGLRSA-N 0 1 238.287 2.136 20 0 BEADMN CCCN(CC(=O)OCC(C)C)CC1CC1 ZINC000181422358 711697608 /nfs/dbraw/zinc/69/76/08/711697608.db2.gz ZRJIFXGBQMSYTI-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CC1CCSCC1 ZINC000257664729 711724555 /nfs/dbraw/zinc/72/45/55/711724555.db2.gz KAEOVJMBZRUCKP-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H](C[N@@H+](C)CCc1cccc(F)c1)C(=O)[O-] ZINC000258958100 711745421 /nfs/dbraw/zinc/74/54/21/711745421.db2.gz VLRJASLVSZMBHS-SNVBAGLBSA-N 0 1 239.290 2.021 20 0 BEADMN c1ncc(CNc2cnn(C3CCCC3)c2)[nH]1 ZINC000722362910 711749374 /nfs/dbraw/zinc/74/93/74/711749374.db2.gz DFDVSYAUESJLAR-UHFFFAOYSA-N 0 1 231.303 2.333 20 0 BEADMN CN(C/C=C\Cl)CCOC(C)(C)C ZINC000388602523 711765052 /nfs/dbraw/zinc/76/50/52/711765052.db2.gz SMHBUWSTUWPRIT-WAYWQWQTSA-N 0 1 205.729 2.486 20 0 BEADMN CCCCN1CC(N(C)C(=O)CC2CCC2)C1 ZINC001042574475 711785772 /nfs/dbraw/zinc/78/57/72/711785772.db2.gz RFGGXFLDXYWLTQ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382809691 711793804 /nfs/dbraw/zinc/79/38/04/711793804.db2.gz OWWWASOABWOIOQ-GRYCIOLGSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H]1C[C@H]1CON=C(N)CN1CCCCCC1 ZINC000863456916 711794832 /nfs/dbraw/zinc/79/48/32/711794832.db2.gz OBKDTXNROBSLGO-NEPJUHHUSA-N 0 1 239.363 2.017 20 0 BEADMN CC(=O)N(C)C1CN(CCC2=CCCCC2)C1 ZINC001042393202 711818544 /nfs/dbraw/zinc/81/85/44/711818544.db2.gz LJNCWJSJSSVKKC-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCCCCCN1CCN(c2cnccn2)CC1 ZINC000157549460 711828683 /nfs/dbraw/zinc/82/86/83/711828683.db2.gz WEQMXYVRJVBERE-UHFFFAOYSA-N 0 1 248.374 2.179 20 0 BEADMN NCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000075411509 711829362 /nfs/dbraw/zinc/82/93/62/711829362.db2.gz DZAMJGVTHJRUBK-UHFFFAOYSA-N 0 1 241.294 2.327 20 0 BEADMN CC(C)(C)c1ccc(C(=O)Nc2c[nH]nn2)cc1 ZINC000170204480 711836156 /nfs/dbraw/zinc/83/61/56/711836156.db2.gz XWVQRZOMJPIARB-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421237 711918230 /nfs/dbraw/zinc/91/82/30/711918230.db2.gz OXJIIPONVKLTMR-KCQAQPDRSA-N 0 1 248.370 2.038 20 0 BEADMN CS[C@H]1CC[C@H](NCc2ncc(C)o2)C1 ZINC000700369261 711990313 /nfs/dbraw/zinc/99/03/13/711990313.db2.gz YWEYOTPLLMNTCK-UWVGGRQHSA-N 0 1 226.345 2.357 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC1=CCCC1)C2 ZINC000701505655 712024858 /nfs/dbraw/zinc/02/48/58/712024858.db2.gz ISASDTWIZOMVBI-JSGCOSHPSA-N 0 1 235.327 2.283 20 0 BEADMN O[C@H](CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000701767037 712028709 /nfs/dbraw/zinc/02/87/09/712028709.db2.gz JSXHSEDAUVKOMC-CHWSQXEVSA-N 0 1 223.291 2.154 20 0 BEADMN C[C@H](Cc1cccc(F)c1)NCc1ncccn1 ZINC000702333541 712047775 /nfs/dbraw/zinc/04/77/75/712047775.db2.gz ORDYOVCVKAVRSV-LLVKDONJSA-N 0 1 245.301 2.337 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)NCc1ncccn1 ZINC000702333544 712048061 /nfs/dbraw/zinc/04/80/61/712048061.db2.gz ORDYOVCVKAVRSV-NSHDSACASA-N 0 1 245.301 2.337 20 0 BEADMN CCCCOC(=O)CN1CCCC[C@H](C)C1 ZINC000703661525 712082812 /nfs/dbraw/zinc/08/28/12/712082812.db2.gz LQIQULOMJRKTAM-LBPRGKRZSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@H](c1cccs1)N(C)Cc1ccc(N)nn1 ZINC000703920965 712094183 /nfs/dbraw/zinc/09/41/83/712094183.db2.gz UOIOCFLUWSVJOA-SECBINFHSA-N 0 1 248.355 2.313 20 0 BEADMN Nc1ccc(CN2CCC(C3CCC3)CC2)nn1 ZINC000703973464 712097425 /nfs/dbraw/zinc/09/74/25/712097425.db2.gz YKWUCJSIGRNLTG-UHFFFAOYSA-N 0 1 246.358 2.071 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cccc(F)c1N ZINC000706874295 712157807 /nfs/dbraw/zinc/15/78/07/712157807.db2.gz ZTUOLSQRNSJKKS-DTWKUNHWSA-N 0 1 208.280 2.248 20 0 BEADMN CC[N@@H+](Cc1ccc(Cl)cn1)[C@H](C)C(=O)[O-] ZINC000707924231 712173195 /nfs/dbraw/zinc/17/31/95/712173195.db2.gz CQDPNBSIBYKNCG-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CCCCCC[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000707956247 712174183 /nfs/dbraw/zinc/17/41/83/712174183.db2.gz DDEDVYGFZCAXCH-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN Cc1nc(CNC[C@H]2CC(C)(C)CO2)cs1 ZINC000708340759 712188816 /nfs/dbraw/zinc/18/88/16/712188816.db2.gz GBIQLXASSXUILF-LLVKDONJSA-N 0 1 240.372 2.356 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)CC(C)(C)C ZINC000709098223 712208711 /nfs/dbraw/zinc/20/87/11/712208711.db2.gz PILFFXPQBRQNRM-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1nonc1CNC1CC(c2ccccc2)C1 ZINC000709224498 712218093 /nfs/dbraw/zinc/21/80/93/712218093.db2.gz KCDWJRSSMICUGL-UHFFFAOYSA-N 0 1 243.310 2.414 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1cn(C)cn1 ZINC000710006086 712239388 /nfs/dbraw/zinc/23/93/88/712239388.db2.gz UHVZBVZAQMSAPR-LBPRGKRZSA-N 0 1 245.326 2.150 20 0 BEADMN CC(C)CSCCN[C@H](C)c1cn(C)cn1 ZINC000710011426 712240367 /nfs/dbraw/zinc/24/03/67/712240367.db2.gz HYZIGAVQWWHCSC-LLVKDONJSA-N 0 1 241.404 2.460 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1cn(C)cn1 ZINC000710023703 712241487 /nfs/dbraw/zinc/24/14/87/712241487.db2.gz MGXRHIIXYVQTQE-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](NCCC(F)(F)F)c1cn(C)cn1 ZINC000710032092 712243077 /nfs/dbraw/zinc/24/30/77/712243077.db2.gz QAMBYXJZUXWFIQ-ZETCQYMHSA-N 0 1 221.226 2.023 20 0 BEADMN CCNCc1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000710832590 712257926 /nfs/dbraw/zinc/25/79/26/712257926.db2.gz XHDZTXSDPYHHFD-SNVBAGLBSA-N 0 1 224.352 2.070 20 0 BEADMN OCCCC1CCN(Cc2ccns2)CC1 ZINC000710645672 712264622 /nfs/dbraw/zinc/26/46/22/712264622.db2.gz GTDKEKIVXTWCSP-UHFFFAOYSA-N 0 1 240.372 2.128 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ncn(C)n1 ZINC000711037479 712275569 /nfs/dbraw/zinc/27/55/69/712275569.db2.gz ZCWVHQACISNVGP-NNYUYHANSA-N 0 1 234.347 2.044 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2noc3c2COCC3)C1 ZINC000923016884 712291899 /nfs/dbraw/zinc/29/18/99/712291899.db2.gz YNNLPCBQTBFTQI-NXEZZACHSA-N 0 1 236.315 2.026 20 0 BEADMN COC(=O)c1csc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000711442317 712300578 /nfs/dbraw/zinc/30/05/78/712300578.db2.gz XAZYKRCSXREVNE-KCJUWKMLSA-N 0 1 237.324 2.129 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000711450405 712301625 /nfs/dbraw/zinc/30/16/25/712301625.db2.gz BSSKHAHRGUNJJI-SECBINFHSA-N 0 1 241.262 2.159 20 0 BEADMN CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](CF)C1 ZINC000711453851 712303769 /nfs/dbraw/zinc/30/37/69/712303769.db2.gz KTCJURMHGWXKNY-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CCC[C@@H](CF)C1 ZINC000711453851 712303770 /nfs/dbraw/zinc/30/37/70/712303770.db2.gz KTCJURMHGWXKNY-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CC[C@H](CF)C1 ZINC000711478759 712305484 /nfs/dbraw/zinc/30/54/84/712305484.db2.gz CDYBIUJPNNVPRX-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@H+]([C@H]1C=CCCC1)CC2 ZINC000711677506 712315921 /nfs/dbraw/zinc/31/59/21/712315921.db2.gz WZOHQWIULJFKGB-SCRDCRAPSA-N 0 1 235.327 2.424 20 0 BEADMN CCSCC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711678308 712315988 /nfs/dbraw/zinc/31/59/88/712315988.db2.gz ZFGUSPURQRRYDS-CMPLNLGQSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H]1SCC[C@H]1NCc1nccn1C1CC1 ZINC000711745966 712322912 /nfs/dbraw/zinc/32/29/12/712322912.db2.gz KZPKIUGCIXZFQU-GXSJLCMTSA-N 0 1 237.372 2.202 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)c1n[nH]c2ccccc21 ZINC000711744289 712326046 /nfs/dbraw/zinc/32/60/46/712326046.db2.gz QQPSCLVTCMTBTB-SNVBAGLBSA-N 0 1 241.294 2.259 20 0 BEADMN Cc1csc([C@H](C)NCCOC2CC2)n1 ZINC000711759690 712326753 /nfs/dbraw/zinc/32/67/53/712326753.db2.gz PTMAKVSSFUVNOU-VIFPVBQESA-N 0 1 226.345 2.281 20 0 BEADMN CC[C@@](C)(CNCc1nccn1C1CC1)OC ZINC000711784152 712329894 /nfs/dbraw/zinc/32/98/94/712329894.db2.gz CJIGVHSADYTHPU-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN c1cn(C2CC2)c(CNCCc2cscn2)n1 ZINC000711815242 712331010 /nfs/dbraw/zinc/33/10/10/712331010.db2.gz CGCHWERRFRHFIU-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN NC1(c2noc(C[C@@H]3C[C@H]3C3CC3)n2)CCCC1 ZINC000712080956 712340479 /nfs/dbraw/zinc/34/04/79/712340479.db2.gz KTFMYONFJFPUCQ-QWRGUYRKSA-N 0 1 247.342 2.386 20 0 BEADMN C[C@@H](Cc1ccco1)N[C@H]1CCn2ccnc21 ZINC000379034205 712368142 /nfs/dbraw/zinc/36/81/42/712368142.db2.gz YOWAFFKQKLRGSE-JQWIXIFHSA-N 0 1 231.299 2.142 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CC[C@@](C)(CC)C2)C1 ZINC000758397983 712408592 /nfs/dbraw/zinc/40/85/92/712408592.db2.gz RXZAEBCLGKJGBK-GXTWGEPZSA-N 0 1 238.375 2.324 20 0 BEADMN CC[N@H+]1CC[C@H]1CNc1nc2ccccc2[nH]1 ZINC000712581130 712433744 /nfs/dbraw/zinc/43/37/44/712433744.db2.gz UBNWIVBNGXFFFZ-JTQLQIEISA-N 0 1 230.315 2.069 20 0 BEADMN CN1CC[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000712614435 712437891 /nfs/dbraw/zinc/43/78/91/712437891.db2.gz LYZZIMYJNJZRBJ-VIFPVBQESA-N 0 1 245.248 2.216 20 0 BEADMN CN1CC[C@H]1CNc1cccc(C(F)(F)F)n1 ZINC000712615033 712437926 /nfs/dbraw/zinc/43/79/26/712437926.db2.gz MXDQKMMNAKPIDI-QMMMGPOBSA-N 0 1 245.248 2.216 20 0 BEADMN OCC1(NCc2cocn2)CCCCCCC1 ZINC000713473916 712461635 /nfs/dbraw/zinc/46/16/35/712461635.db2.gz YCJWMUSMCZDDIX-UHFFFAOYSA-N 0 1 238.331 2.240 20 0 BEADMN C=C/C=C\CCN[C@@H](C)c1csnn1 ZINC000713688254 712469234 /nfs/dbraw/zinc/46/92/34/712469234.db2.gz VPBKBXJKMNQKTG-WBSSQXGSSA-N 0 1 209.318 2.321 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000713711110 712470162 /nfs/dbraw/zinc/47/01/62/712470162.db2.gz LKOZFRZDJVCQKR-VSQXVHSFSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C/CC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000713717531 712470205 /nfs/dbraw/zinc/47/02/05/712470205.db2.gz PLWUQHIFWXPZPA-RVAOTSRCSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000713711507 712470222 /nfs/dbraw/zinc/47/02/22/712470222.db2.gz VAHKLIZQGPXCAL-BYCRGOAPSA-N 0 1 241.356 2.011 20 0 BEADMN C=C/C=C/CC[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000713711559 712470239 /nfs/dbraw/zinc/47/02/39/712470239.db2.gz WHJAGPBVVICRDV-ORAHPGNNSA-N 0 1 209.289 2.056 20 0 BEADMN Cc1cc(CNC[C@H]2CC[C@H](C3CC3)O2)on1 ZINC000715405042 712517355 /nfs/dbraw/zinc/51/73/55/712517355.db2.gz UEBZQAUDVMDUKB-DGCLKSJQSA-N 0 1 236.315 2.030 20 0 BEADMN CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H](C)C(=O)[O-] ZINC000715440528 712519161 /nfs/dbraw/zinc/51/91/61/712519161.db2.gz NJTNIDXBCHFZRB-JLLWLGSASA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715448403 712519231 /nfs/dbraw/zinc/51/92/31/712519231.db2.gz XBXGUUMWHFJUPA-SQNXGDPESA-N 0 1 237.343 2.218 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715448404 712519360 /nfs/dbraw/zinc/51/93/60/712519360.db2.gz XBXGUUMWHFJUPA-XEZLXBQYSA-N 0 1 237.343 2.218 20 0 BEADMN Cc1ncc(CNC[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715391792 712522199 /nfs/dbraw/zinc/52/21/99/712522199.db2.gz WSXXJLFGBPHUBM-AAEUAGOBSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cn(C)nn1 ZINC000715833201 712534218 /nfs/dbraw/zinc/53/42/18/712534218.db2.gz BKHBIAPSIXEYGO-DTWKUNHWSA-N 0 1 244.289 2.044 20 0 BEADMN COc1cccc(NCc2n[nH]c(C)c2C)n1 ZINC000716450374 712561995 /nfs/dbraw/zinc/56/19/95/712561995.db2.gz HGAKMLJQDYKVOF-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000716450246 712562033 /nfs/dbraw/zinc/56/20/33/712562033.db2.gz KMZIXIDEIFHPNF-NMUGVGKYSA-N 0 1 233.315 2.254 20 0 BEADMN Cc1ncsc1CNCc1[nH]nc(C)c1C ZINC000716451449 712562056 /nfs/dbraw/zinc/56/20/56/712562056.db2.gz ODOBGYZYXNSMIG-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1ccc(CNCc2n[nH]c(C)c2C)o1 ZINC000716490270 712565761 /nfs/dbraw/zinc/56/57/61/712565761.db2.gz CXXXQUSZLJVLNC-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)s1 ZINC000716637327 712568445 /nfs/dbraw/zinc/56/84/45/712568445.db2.gz LIJQPGGXNBFEMT-DQDDRIPDSA-N 0 1 237.372 2.228 20 0 BEADMN c1nc(CNCC[C@@H]2CCC3(CCC3)O2)co1 ZINC000717099363 712631037 /nfs/dbraw/zinc/63/10/37/712631037.db2.gz TVJJAAMAFAVAPW-LBPRGKRZSA-N 0 1 236.315 2.256 20 0 BEADMN Cc1cc(CNCC[C@H]2CC(C)(C)CO2)no1 ZINC000717315399 712646917 /nfs/dbraw/zinc/64/69/17/712646917.db2.gz XXLJKUIAXWRMOT-LBPRGKRZSA-N 0 1 238.331 2.278 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC000037474762 712647958 /nfs/dbraw/zinc/64/79/58/712647958.db2.gz GZJJCYBAWQLMIV-VIFPVBQESA-N 0 1 225.288 2.273 20 0 BEADMN Cc1cnc(CNC[C@@H]2CC(C)(C)CO2)s1 ZINC000717602767 712661977 /nfs/dbraw/zinc/66/19/77/712661977.db2.gz XMMDFXMQIFJMJY-JTQLQIEISA-N 0 1 240.372 2.356 20 0 BEADMN COc1cccc(C[N@@H+](CCC(=O)[O-])C2CC2)c1 ZINC000037593546 712666881 /nfs/dbraw/zinc/66/68/81/712666881.db2.gz KDLKASMPVPQSPF-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN C[C@](CO)(NCc1ncc(Cl)s1)C1CC1 ZINC000380074144 712684809 /nfs/dbraw/zinc/68/48/09/712684809.db2.gz DXIAKJRQCLSEQH-SNVBAGLBSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@](CO)(NCc1ncc(Cl)s1)C1CC1 ZINC000380074136 712684859 /nfs/dbraw/zinc/68/48/59/712684859.db2.gz DXIAKJRQCLSEQH-JTQLQIEISA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](O)CC1 ZINC000930590626 712712913 /nfs/dbraw/zinc/71/29/13/712712913.db2.gz SBWQMGZFPXHXHM-CMPLNLGQSA-N 0 1 238.306 2.129 20 0 BEADMN Cn1cccc1CNCc1cnc(Cl)s1 ZINC000718174749 712751096 /nfs/dbraw/zinc/75/10/96/712751096.db2.gz CWAUHFAYZRFJHA-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC(C)(F)F ZINC000718611953 712773081 /nfs/dbraw/zinc/77/30/81/712773081.db2.gz CMIZTTQFIQGEBR-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC(C)(F)F ZINC000718611950 712773253 /nfs/dbraw/zinc/77/32/53/712773253.db2.gz CMIZTTQFIQGEBR-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC000718629891 712773802 /nfs/dbraw/zinc/77/38/02/712773802.db2.gz LZZPBVLJWLLLKV-ZJUUUORDSA-N 0 1 249.301 2.464 20 0 BEADMN CCSCCNCc1nc2c(s1)CCC2 ZINC000719535980 712809242 /nfs/dbraw/zinc/80/92/42/712809242.db2.gz DDMJPWHKDSKPQN-UHFFFAOYSA-N 0 1 242.413 2.475 20 0 BEADMN CC(C)(O)[C@H]1CCCN(Cc2ccns2)C1 ZINC000719651200 712821051 /nfs/dbraw/zinc/82/10/51/712821051.db2.gz FOQGAASXSDPMIV-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H]1CCN(Cc2cccc(F)c2N)CCO1 ZINC000719752924 712822488 /nfs/dbraw/zinc/82/24/88/712822488.db2.gz BBXGWBLBKOIDAB-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN CSC(C)(C)CNCc1cc(C)on1 ZINC000720391608 712837953 /nfs/dbraw/zinc/83/79/53/712837953.db2.gz RTWUQBAMKKUYCP-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN Cc1ncc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC000720797448 712866549 /nfs/dbraw/zinc/86/65/49/712866549.db2.gz CGMQSMNHIXDSHL-GVXVVHGQSA-N 0 1 236.315 2.030 20 0 BEADMN CO[C@H]1C[C@@H](Cn2c(C)nc3c2CCCC3)C1 ZINC000721114639 712891358 /nfs/dbraw/zinc/89/13/58/712891358.db2.gz XAQXJMWLQBUDFV-TXEJJXNPSA-N 0 1 234.343 2.495 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CCC3CCCC3)C[C@@H]21 ZINC000721160268 712893108 /nfs/dbraw/zinc/89/31/08/712893108.db2.gz HFWUCLWVNXQQPJ-FRRDWIJNSA-N 0 1 237.343 2.219 20 0 BEADMN CCO[C@H]1CCC[C@H](NCc2ccon2)C1 ZINC000721167672 712894064 /nfs/dbraw/zinc/89/40/64/712894064.db2.gz MJUMTOUJDZPHCS-JQWIXIFHSA-N 0 1 224.304 2.112 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721186551 712895140 /nfs/dbraw/zinc/89/51/40/712895140.db2.gz YRZKNTPZDXBPGF-TUAOUCFPSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)c1ccc(N2C[C@H](C)N(C)C[C@@H]2C)nn1 ZINC001164638043 719185613 /nfs/dbraw/zinc/18/56/13/719185613.db2.gz QFHJGAVPMSDDNZ-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1ccc(N2C[C@@H](C)N(C)C[C@@H]2C)nn1 ZINC001164638038 719186162 /nfs/dbraw/zinc/18/61/62/719186162.db2.gz QFHJGAVPMSDDNZ-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1c(F)ccnc1N1C[C@H](C)N(C)C[C@H]1C ZINC001164639687 719211791 /nfs/dbraw/zinc/21/17/91/719211791.db2.gz QWOXQSTVNOVKPS-VHSXEESVSA-N 0 1 237.322 2.058 20 0 BEADMN CCCN(CC[C@@H](C)SC)CC(=O)OCC ZINC001208152048 957033702 /nfs/dbraw/zinc/03/37/02/957033702.db2.gz FAIDMVFMYFVEKG-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN Cc1cnc(N2C[C@@H](C)N(C)C[C@H]2C)c(F)c1 ZINC001164632145 719152320 /nfs/dbraw/zinc/15/23/20/719152320.db2.gz PPJOVYRKJBDSAP-GHMZBOCLSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1cncnc1N1C[C@@H](C)N(C)C[C@@H]1C ZINC001164635937 719197789 /nfs/dbraw/zinc/19/77/89/719197789.db2.gz MCQFUMOWZTWIIW-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN C[C@]1(F)CCCN(Cc2ccon2)CC1 ZINC001209561220 957506101 /nfs/dbraw/zinc/50/61/01/957506101.db2.gz PNYCFNBIQDDWJE-NSHDSACASA-N 0 1 212.268 2.389 20 0 BEADMN C[C@H]1CCC[C@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000070835389 957699198 /nfs/dbraw/zinc/69/91/98/957699198.db2.gz GIIGRCCGQMFLOO-WCBMZHEXSA-N 0 1 220.272 2.380 20 0 BEADMN CCCc1[nH+]ccn1CC1(CC(=O)[O-])CC1 ZINC000083854885 957836084 /nfs/dbraw/zinc/83/60/84/957836084.db2.gz BMVBOHGPSSSQNR-UHFFFAOYSA-N 0 1 222.288 2.091 20 0 BEADMN Cc1ccc(N)c(Nc2cncn2C)c1C ZINC001211249688 958111102 /nfs/dbraw/zinc/11/11/02/958111102.db2.gz AMQGFHJMLAGIBD-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000723141952 958167663 /nfs/dbraw/zinc/16/76/63/958167663.db2.gz GIZIAXMJDJDHME-WYUUTHIRSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1c(CN2CC[C@H](C(F)(F)F)C2)cnn1C ZINC001204572614 958445913 /nfs/dbraw/zinc/44/59/13/958445913.db2.gz RBCZOMWUJOFUSW-JTQLQIEISA-N 0 1 247.264 2.113 20 0 BEADMN CCCc1nnc([C@H]2NCCC[C@H]2C)o1 ZINC001217702485 959559378 /nfs/dbraw/zinc/55/93/78/959559378.db2.gz KTPWEDQSYRMOGL-SCZZXKLOSA-N 0 1 209.293 2.083 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1C ZINC001140857858 960632353 /nfs/dbraw/zinc/63/23/53/960632353.db2.gz BIUVWIFNTDZFJR-SRVKXCTJSA-N 0 1 222.307 2.421 20 0 BEADMN CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001268992579 962412787 /nfs/dbraw/zinc/41/27/87/962412787.db2.gz XIPXCZRFSRRSAH-BETUJISGSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@H](C)Nc1ccc2c(n1)NCCO2 ZINC001168003414 963240573 /nfs/dbraw/zinc/24/05/73/963240573.db2.gz MKAKLVVXCYGCJJ-QMMMGPOBSA-N 0 1 207.277 2.096 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000308850862 963311837 /nfs/dbraw/zinc/31/18/37/963311837.db2.gz OGPCQWMSQACEPT-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN CS[C@@H]1CC[C@@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000308840506 963309690 /nfs/dbraw/zinc/30/96/90/963309690.db2.gz JXCXPRCMWLXWQK-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN CSC[C@H]1CCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000309344270 963342528 /nfs/dbraw/zinc/34/25/28/963342528.db2.gz LTMJIMAWXCZPOC-VQNWOSHQSA-N 0 1 243.372 2.092 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCC(=O)[O-] ZINC000309684707 963364493 /nfs/dbraw/zinc/36/44/93/963364493.db2.gz NWPNZCHOMBORRB-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CC(C)Oc1ccnc(NCC2CC(=O)C2)c1 ZINC001157609103 963676601 /nfs/dbraw/zinc/67/66/01/963676601.db2.gz KSPRVCMNCFCMIV-UHFFFAOYSA-N 0 1 234.299 2.260 20 0 BEADMN COc1nccc(Nc2nccn2C)c1Cl ZINC001211939830 964096278 /nfs/dbraw/zinc/09/62/78/964096278.db2.gz AYSHVSZOYGZNDH-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cc1cc(N(C)C)ncc1NC1CC(F)C1 ZINC001162212803 964873967 /nfs/dbraw/zinc/87/39/67/964873967.db2.gz ZTNOBQHKYKPSSM-UHFFFAOYSA-N 0 1 223.295 2.368 20 0 BEADMN Clc1cnccc1Nc1ccncc1 ZINC001212144259 965070323 /nfs/dbraw/zinc/07/03/23/965070323.db2.gz MAIZMOTYRBUHAI-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN COc1ncc(F)cc1CN(C)CC1CC1 ZINC001231740862 965282255 /nfs/dbraw/zinc/28/22/55/965282255.db2.gz OKVXARDUIUDUCH-UHFFFAOYSA-N 0 1 224.279 2.071 20 0 BEADMN CC(=O)NC1CN(CC[C@@H](C)CC(C)(C)C)C1 ZINC001208664382 1165764092 /nfs/dbraw/zinc/76/40/92/1165764092.db2.gz MFAHTEXAOHSYHM-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1cc(CN2CC[C@@H](OC(C)C)C2)on1 ZINC001203226239 966569031 /nfs/dbraw/zinc/56/90/31/966569031.db2.gz JGTUIHZWJJVZKH-GFCCVEGCSA-N 0 1 238.331 2.236 20 0 BEADMN CC[C@H](F)CN(C)[C@@H](C)CNC(=O)C=C(C)C ZINC001485270731 966574952 /nfs/dbraw/zinc/57/49/52/966574952.db2.gz PTTOYDUEDQSYHJ-RYUDHWBXSA-N 0 1 244.354 2.137 20 0 BEADMN Cc1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC000041045252 1165777006 /nfs/dbraw/zinc/77/70/06/1165777006.db2.gz KOUOFZGCRWZEDH-VIFPVBQESA-N 0 1 202.257 2.375 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC[C@H]2C)[nH]1 ZINC000075414271 1165783948 /nfs/dbraw/zinc/78/39/48/1165783948.db2.gz ONAUWFTXNPRFJZ-SECBINFHSA-N 0 1 221.304 2.158 20 0 BEADMN COc1cccc(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001203817502 966786664 /nfs/dbraw/zinc/78/66/64/966786664.db2.gz FHXFUXXVECZEOW-MFKMUULPSA-N 0 1 223.291 2.485 20 0 BEADMN CC(C)N1CC(OCCc2ccccc2)C1 ZINC001204993978 967279237 /nfs/dbraw/zinc/27/92/37/967279237.db2.gz LFIYFMYPNXBYMB-UHFFFAOYSA-N 0 1 219.328 2.338 20 0 BEADMN COc1c(Cl)ccc(F)c1-n1cncc1N ZINC001250101400 967371932 /nfs/dbraw/zinc/37/19/32/967371932.db2.gz BNNXCVZPPZYNDB-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN COCCN(C)Cc1ccc(C(F)(F)F)nc1 ZINC001205359376 967591429 /nfs/dbraw/zinc/59/14/29/967591429.db2.gz VQMVHHBAQXJIRT-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN Cc1cccnc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000071345255 1165884856 /nfs/dbraw/zinc/88/48/56/1165884856.db2.gz AOFFUKOUYNLBFK-TXEJJXNPSA-N 0 1 230.311 2.086 20 0 BEADMN CO[C@H](CN1CC(C)(OC)C1)C1CCCCC1 ZINC001205706237 967800409 /nfs/dbraw/zinc/80/04/09/967800409.db2.gz BOQGJFMQHZBMKS-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000083701351 1165933343 /nfs/dbraw/zinc/93/33/43/1165933343.db2.gz HJHRIXUONNHQIY-RYUDHWBXSA-N 0 1 225.332 2.203 20 0 BEADMN CSc1cncc(Nc2ccnc(CO)c2)c1 ZINC001211066994 1165981003 /nfs/dbraw/zinc/98/10/03/1165981003.db2.gz KZRZDCQHQAFUGA-UHFFFAOYSA-N 0 1 247.323 2.434 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001670675834 1165987602 /nfs/dbraw/zinc/98/76/02/1165987602.db2.gz AVQZNNSQEVSUGZ-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN c1nc2ccc(NC3CSC3)cc2[nH]1 ZINC000076639742 1166011278 /nfs/dbraw/zinc/01/12/78/1166011278.db2.gz KEVXWXXAYGZBEI-UHFFFAOYSA-N 0 1 205.286 2.090 20 0 BEADMN C[C@H]1CN(Cc2c(N)cccc2F)CCCO1 ZINC000109427863 1166014136 /nfs/dbraw/zinc/01/41/36/1166014136.db2.gz HXYYIBDWUXRUJD-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN Cc1nn(C)c(CNC2(C)CC2)c1Cl ZINC000228844413 1166025826 /nfs/dbraw/zinc/02/58/26/1166025826.db2.gz SCKSCOKXKSYWDJ-UHFFFAOYSA-N 0 1 213.712 2.024 20 0 BEADMN Cc1csc(CNCCC(F)F)n1 ZINC000308355354 1166083456 /nfs/dbraw/zinc/08/34/56/1166083456.db2.gz ASCSPTZRLGSGLZ-UHFFFAOYSA-N 0 1 206.261 2.196 20 0 BEADMN CC(C)OC(=O)CN1CCCC(C)(C)CC1 ZINC000083680688 1166115372 /nfs/dbraw/zinc/11/53/72/1166115372.db2.gz TYGBQSKWRLVJLL-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001085542015 968789432 /nfs/dbraw/zinc/78/94/32/968789432.db2.gz NURVSSVPNMOBBG-ZDUSSCGKSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H](CCCC(C)(C)O)CCN1CC(C)(O)C1 ZINC001207634672 968851895 /nfs/dbraw/zinc/85/18/95/968851895.db2.gz FDUKQIWDVGVCCS-LBPRGKRZSA-N 0 1 243.391 2.020 20 0 BEADMN CCCCOC1CN(CC2(C)CCOCC2)C1 ZINC001207970064 968969713 /nfs/dbraw/zinc/96/97/13/968969713.db2.gz XUTRYNIFOJZNBB-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CCC[C@H](O)CN[C@@H]1COc2ccc(F)cc21 ZINC001252804268 968992487 /nfs/dbraw/zinc/99/24/87/968992487.db2.gz JDCSNESINAEZKL-CMPLNLGQSA-N 0 1 239.290 2.010 20 0 BEADMN O=S(=O)(Cc1ccccc1)Nc1ccco1 ZINC001252821076 969016742 /nfs/dbraw/zinc/01/67/42/969016742.db2.gz RRDOGSWITRZDMH-UHFFFAOYSA-N 0 1 237.280 2.222 20 0 BEADMN CCN(CC(=O)OC)[C@H]1CCC[C@@H](C)C1 ZINC000224247220 1166220331 /nfs/dbraw/zinc/22/03/31/1166220331.db2.gz WOLJHPONQOJJHP-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000222096725 1166234939 /nfs/dbraw/zinc/23/49/39/1166234939.db2.gz SWYQVEGBFXDJAZ-ZDUSSCGKSA-N 0 1 248.326 2.473 20 0 BEADMN CCN1C[C@@H](C)N(CCC2CCCC2)CC1=O ZINC001208696072 969197838 /nfs/dbraw/zinc/19/78/38/969197838.db2.gz LBCLLZLQKMQIST-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCC[C@@H](O)CNCc1nc(C)oc1C ZINC001253520113 969198031 /nfs/dbraw/zinc/19/80/31/969198031.db2.gz UAHHNBPFZDLFJR-GFCCVEGCSA-N 0 1 240.347 2.322 20 0 BEADMN Oc1cc(Cl)cnc1N=C1CCCOC1 ZINC001216505361 1166295361 /nfs/dbraw/zinc/29/53/61/1166295361.db2.gz SJHIVWBYQJXGRQ-UHFFFAOYSA-N 0 1 226.663 2.157 20 0 BEADMN F[C@H]1CSC2(CN(C[C@H]3CCC=CO3)C2)C1 ZINC001208882107 969271034 /nfs/dbraw/zinc/27/10/34/969271034.db2.gz IDEORFFAVMOAPX-GHMZBOCLSA-N 0 1 243.347 2.209 20 0 BEADMN COC[C@@H](NCC1(OC)CCC1)c1ccco1 ZINC000450723502 1166299703 /nfs/dbraw/zinc/29/97/03/1166299703.db2.gz DBYSRTWXQOMRLE-LLVKDONJSA-N 0 1 239.315 2.126 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000224707587 1166302497 /nfs/dbraw/zinc/30/24/97/1166302497.db2.gz HBGLRPWBUIIMAP-MNOVXSKESA-N 0 1 213.321 2.058 20 0 BEADMN CCCCC[C@H](C)N(C)CC(=O)OC ZINC000199307624 1166319058 /nfs/dbraw/zinc/31/90/58/1166319058.db2.gz SHHUDYPBDGGKKU-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ccc(F)c(CNC[C@H](O)C(C)(C)C)n1 ZINC001253743238 969360720 /nfs/dbraw/zinc/36/07/20/969360720.db2.gz PNLJMYUETHCMMA-LBPRGKRZSA-N 0 1 240.322 2.026 20 0 BEADMN Cc1ccc(F)cc1-c1ncc2c(n1)CNC2 ZINC000131715493 1166400178 /nfs/dbraw/zinc/40/01/78/1166400178.db2.gz YUVCYCWGRGWMJG-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@@H]1C[C@@H]1C)C2 ZINC001209422639 969488830 /nfs/dbraw/zinc/48/88/30/969488830.db2.gz XFPWKMDZNXOMGE-ONGXEEELSA-N 0 1 202.301 2.362 20 0 BEADMN Cc1ccnc(N[C@H]2CCC[C@@H](O)C2)c1C ZINC001169247647 969532796 /nfs/dbraw/zinc/53/27/96/969532796.db2.gz XVRNSKUEGSLEDL-NWDGAFQWSA-N 0 1 220.316 2.414 20 0 BEADMN O=C1SCC[C@@H]1NC1CCC(F)(F)CC1 ZINC001254208505 969539341 /nfs/dbraw/zinc/53/93/41/969539341.db2.gz PXFGHPXDPQLSGA-QMMMGPOBSA-N 0 1 235.299 2.186 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250835947 1166435708 /nfs/dbraw/zinc/43/57/08/1166435708.db2.gz KUIXXGLFDWWZLQ-WXHSDQCUSA-N 0 1 237.343 2.362 20 0 BEADMN COC(=O)[C@H]1CCCN1C1CCC(F)(F)CC1 ZINC001254218771 969544646 /nfs/dbraw/zinc/54/46/46/969544646.db2.gz TWIYVCUJBWCVAH-SNVBAGLBSA-N 0 1 247.285 2.202 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCCO2)[nH]1 ZINC001209573507 969558444 /nfs/dbraw/zinc/55/84/44/969558444.db2.gz UUHSUYOMNUCTLF-ZDUSSCGKSA-N 0 1 222.332 2.324 20 0 BEADMN CCn1ccnc1CN[C@H]1C=CCCC1 ZINC000309049498 1166472125 /nfs/dbraw/zinc/47/21/25/1166472125.db2.gz QCJWOAZNXPQONO-NSHDSACASA-N 0 1 205.305 2.101 20 0 BEADMN O=C(NCC=CC1CC1)c1n[nH]c2ccccc21 ZINC000393649213 1166494681 /nfs/dbraw/zinc/49/46/81/1166494681.db2.gz MNAXSOYTGILYFV-ONEGZZNKSA-N 0 1 241.294 2.259 20 0 BEADMN Cc1ncn(-c2cccc(C)c2F)c1N ZINC001210036506 969771070 /nfs/dbraw/zinc/77/10/70/969771070.db2.gz GUVVVBHAINNSBF-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN COc1ccnc(NC[C@@H]2CCCCO2)c1 ZINC001156369002 969829493 /nfs/dbraw/zinc/82/94/93/969829493.db2.gz BHSXMEFLSVUWGL-NSHDSACASA-N 0 1 222.288 2.071 20 0 BEADMN CCc1coc(CNC2CCSCC2)n1 ZINC001255076282 969870838 /nfs/dbraw/zinc/87/08/38/969870838.db2.gz QZAYUYXVTRLDQN-UHFFFAOYSA-N 0 1 226.345 2.222 20 0 BEADMN Cc1nccnc1[C@@H](C)NC/C=C/C1CC1 ZINC000378850815 1166563716 /nfs/dbraw/zinc/56/37/16/1166563716.db2.gz FFIPVQGYYZROEU-HMDXOVGESA-N 0 1 217.316 2.402 20 0 BEADMN CN(c1nc(Cl)nc2[nH]cnc21)C(C)(C)C ZINC000394323874 1166571426 /nfs/dbraw/zinc/57/14/26/1166571426.db2.gz KCKMKAZQQAWNKL-UHFFFAOYSA-N 0 1 239.710 2.241 20 0 BEADMN Cc1cc(C)c(CN2CC(C)(O)C2)c(C)c1 ZINC000084356756 1166575613 /nfs/dbraw/zinc/57/56/13/1166575613.db2.gz VVZYCJYRGJPYIZ-UHFFFAOYSA-N 0 1 219.328 2.178 20 0 BEADMN Cc1nnc(SCC(=O)c2cccs2)[nH]1 ZINC000011657740 1166591251 /nfs/dbraw/zinc/59/12/51/1166591251.db2.gz NKEBCIHJHOWMSZ-UHFFFAOYSA-N 0 1 239.325 2.150 20 0 BEADMN Cc1n[nH]c(SCC(=O)c2cccs2)n1 ZINC000011657740 1166591259 /nfs/dbraw/zinc/59/12/59/1166591259.db2.gz NKEBCIHJHOWMSZ-UHFFFAOYSA-N 0 1 239.325 2.150 20 0 BEADMN Cc1cnc(NCc2ccc(=O)[nH]c2)c(C)c1 ZINC000394850457 1166637196 /nfs/dbraw/zinc/63/71/96/1166637196.db2.gz FIYYBLQPIUGECE-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN Cc1cnc(NC[C@@H](O)C(C)C)c(C)c1 ZINC000394874764 1166647361 /nfs/dbraw/zinc/64/73/61/1166647361.db2.gz VVUKDZWWLWHWHN-LLVKDONJSA-N 0 1 208.305 2.127 20 0 BEADMN CCCOC1CN(C2CCC(OC)CC2)C1 ZINC001255461773 970191634 /nfs/dbraw/zinc/19/16/34/970191634.db2.gz OQTFNXKKFDXEDB-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cc(C)c(Nc2cncn2C)cn1 ZINC001211246435 970195220 /nfs/dbraw/zinc/19/52/20/970195220.db2.gz AICGLQAMCQKXAS-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN CC(C)CCC[C@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001170088505 970223555 /nfs/dbraw/zinc/22/35/55/970223555.db2.gz UHXHPXMSIDTLAT-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN COC(=O)c1cc(CNC/C=C/C2CC2)oc1C ZINC000379181583 1166670761 /nfs/dbraw/zinc/67/07/61/1166670761.db2.gz PKKDWCZSYWPJSX-ONEGZZNKSA-N 0 1 249.310 2.430 20 0 BEADMN COC[C@@H](C)NCc1ccc(F)c(OC)c1F ZINC001255558734 970336986 /nfs/dbraw/zinc/33/69/86/970336986.db2.gz UHNYLCNDUWUXNZ-MRVPVSSYSA-N 0 1 245.269 2.098 20 0 BEADMN COC[C@@H](C)N1CCC[C@@H]1c1cc(C)on1 ZINC001255567747 970356298 /nfs/dbraw/zinc/35/62/98/970356298.db2.gz JQLQOCSCNJDIEN-BXKDBHETSA-N 0 1 224.304 2.155 20 0 BEADMN COC1CCC(N[C@@H](C)c2csnn2)CC1 ZINC000398271145 1166707604 /nfs/dbraw/zinc/70/76/04/1166707604.db2.gz BCYFJMWQDSFTHA-IDKOKCKLSA-N 0 1 241.360 2.146 20 0 BEADMN COC[C@H]1CCN1[C@H](C)CC(F)(F)F ZINC001255662084 970444104 /nfs/dbraw/zinc/44/41/04/970444104.db2.gz HJGDFWYTNDTXGD-HTQZYQBOSA-N 0 1 211.227 2.048 20 0 BEADMN Cc1ccc(CNCc2nnc[nH]2)cc1Cl ZINC000235896367 1166796943 /nfs/dbraw/zinc/79/69/43/1166796943.db2.gz UQRKBWMGYVIPMW-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN CC[C@@H]1C[C@@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001170205466 970574296 /nfs/dbraw/zinc/57/42/96/970574296.db2.gz ACNSANKUFXTRDP-FIQHERPVSA-N 0 1 233.302 2.326 20 0 BEADMN CC[C@@H]1C[C@H](N2CC3(C2)CCCCO3)CCO1 ZINC001170208114 970580675 /nfs/dbraw/zinc/58/06/75/970580675.db2.gz OSQWGBISARBPGN-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@@H]1C[C@@H](N(C)Cc2ccon2)C[C@H](C)O1 ZINC000292952082 1166893426 /nfs/dbraw/zinc/89/34/26/1166893426.db2.gz CBWQZCAQBNJOLS-PEGIJTEDSA-N 0 1 224.304 2.062 20 0 BEADMN C[C@H](Cc1ccccc1Cl)N1CC(CO)C1 ZINC001170286002 970700360 /nfs/dbraw/zinc/70/03/60/970700360.db2.gz VMIZDAPGNSAXHZ-SNVBAGLBSA-N 0 1 239.746 2.195 20 0 BEADMN CCC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1 ZINC000304420100 1166918263 /nfs/dbraw/zinc/91/82/63/1166918263.db2.gz DOOBMONFPDQZRO-ZDUSSCGKSA-N 0 1 233.311 2.362 20 0 BEADMN F[C@@H]1CCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173130200 975037843 /nfs/dbraw/zinc/03/78/43/975037843.db2.gz TVZHYATZFGZXTI-RKDXNWHRSA-N 0 1 226.320 2.044 20 0 BEADMN C[C@H]1C[C@H](N2CCC(F)(F)[C@@H](F)C2)CCO1 ZINC001173170950 975067089 /nfs/dbraw/zinc/06/70/89/975067089.db2.gz AXKWEWLTKANGNX-AEJSXWLSSA-N 0 1 237.265 2.233 20 0 BEADMN CCCCOC(=O)CN(CC)C(C)(C)C ZINC000382288175 1167096038 /nfs/dbraw/zinc/09/60/38/1167096038.db2.gz PMGMYDKZZGLMOW-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CC(C)[C@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271414 975346117 /nfs/dbraw/zinc/34/61/17/975346117.db2.gz VRMHUUXMOQCVMA-ZETCQYMHSA-N 0 1 221.260 2.087 20 0 BEADMN CC(C)c1ocnc1CN1[C@@H](C)CC[C@H]1CO ZINC001333085429 975401604 /nfs/dbraw/zinc/40/16/04/975401604.db2.gz RAXIEIIBQXHHJB-QWRGUYRKSA-N 0 1 238.331 2.143 20 0 BEADMN CCOC(=O)C[C@H]1CC[C@@H](NCC(C)(F)F)C1 ZINC001173621090 975487784 /nfs/dbraw/zinc/48/77/84/975487784.db2.gz TYXDJRAQNRKZJX-VHSXEESVSA-N 0 1 249.301 2.353 20 0 BEADMN CCOC(=O)CN1C[C@H](CC)CC[C@H]1C ZINC000308886983 1167213242 /nfs/dbraw/zinc/21/32/42/1167213242.db2.gz XBPSITYTRYXBKB-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN Cn1cncc1Nc1cc(F)cc(F)c1 ZINC001173913274 975894197 /nfs/dbraw/zinc/89/41/97/975894197.db2.gz HBLDHBBOOLGOPQ-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN Cc1cc(CNc2cccnc2C)n[nH]1 ZINC000309211756 1167268140 /nfs/dbraw/zinc/26/81/40/1167268140.db2.gz SXSPOKLIEYVJTA-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN C[C@H]1CC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480461 976242587 /nfs/dbraw/zinc/24/25/87/976242587.db2.gz KTAITOHGBNGQCF-NKWVEPMBSA-N 0 1 228.679 2.403 20 0 BEADMN CCN1CC[C@H](Oc2ccnc(Cl)c2F)C1 ZINC001228578110 976342601 /nfs/dbraw/zinc/34/26/01/976342601.db2.gz WYARSGWUYLPRAF-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN FC(F)[C@H](NCc1nnc[nH]1)C1CCCCC1 ZINC001334646975 976576310 /nfs/dbraw/zinc/57/63/10/976576310.db2.gz NCGPYAQLIZYKJF-SNVBAGLBSA-N 0 1 244.289 2.108 20 0 BEADMN COc1cc(=O)[nH]c(OC2CCC(C)CC2)n1 ZINC001228917588 976580836 /nfs/dbraw/zinc/58/08/36/976580836.db2.gz GVCZVGQVPLSBCK-UHFFFAOYSA-N 0 1 238.287 2.148 20 0 BEADMN COc1nnc(CN[C@H]2CCCC[C@@H]2C)s1 ZINC001334770406 976637152 /nfs/dbraw/zinc/63/71/52/976637152.db2.gz DNEPVKVKVKVMDM-IUCAKERBSA-N 0 1 241.360 2.215 20 0 BEADMN CCC[C@H](CC)Oc1nc(C(=O)OC)c[nH]1 ZINC001230280089 977160177 /nfs/dbraw/zinc/16/01/77/977160177.db2.gz LVZAMBPUJUBMNI-QMMMGPOBSA-N 0 1 226.276 2.154 20 0 BEADMN CC(C)(C)ONC(=O)[C@@H]1Cc2ccccc21 ZINC000149067262 1167441739 /nfs/dbraw/zinc/44/17/39/1167441739.db2.gz YXEDIMYDTJAENN-LLVKDONJSA-N 0 1 219.284 2.173 20 0 BEADMN CC(C)=CCN1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230799157 977338085 /nfs/dbraw/zinc/33/80/85/977338085.db2.gz YWEQMVJZICIRQW-ZDUSSCGKSA-N 0 1 238.375 2.141 20 0 BEADMN Nc1cccc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC000168393200 1167454929 /nfs/dbraw/zinc/45/49/29/1167454929.db2.gz LTGUCYFHIDIIBB-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1cccc(NC2=CCCN(C)C2)n1 ZINC001175572279 977565376 /nfs/dbraw/zinc/56/53/76/977565376.db2.gz DNIXQORCOCGXGN-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN COc1ccccc1NC1=CCCN(C)C1 ZINC001175577825 977586950 /nfs/dbraw/zinc/58/69/50/977586950.db2.gz WLXRPISQAMKEJX-UHFFFAOYSA-N 0 1 218.300 2.327 20 0 BEADMN Cc1cccc(O)c1NC1=CCCN(C)C1 ZINC001175578841 977597434 /nfs/dbraw/zinc/59/74/34/977597434.db2.gz KMDCTFRUJCCCFI-UHFFFAOYSA-N 0 1 218.300 2.332 20 0 BEADMN OC[C@@H]1CCCN1Cc1ccc(Cl)c(O)c1 ZINC001231732384 977714972 /nfs/dbraw/zinc/71/49/72/977714972.db2.gz ZDDJHLYUKVKOEQ-JTQLQIEISA-N 0 1 241.718 2.002 20 0 BEADMN CC[C@@H](C)C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001277554523 977717813 /nfs/dbraw/zinc/71/78/13/977717813.db2.gz AJTSOBFMJPYXOW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN COc1ncc(F)cc1CN(C)CCC1CC1 ZINC001231746387 977725128 /nfs/dbraw/zinc/72/51/28/977725128.db2.gz DUYRGWWMTRRZNB-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@H](CO)C2)c(C)s1 ZINC000927151183 1167561054 /nfs/dbraw/zinc/56/10/54/1167561054.db2.gz VUBYGKUKCLCYKB-SWPVVBRQSA-N 0 1 240.372 2.181 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(F)c(C)c2)C1 ZINC001231926232 977800619 /nfs/dbraw/zinc/80/06/19/977800619.db2.gz NTOCTLAXUXETFX-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(Br)cnc1CN(C)C ZINC001232044302 977869160 /nfs/dbraw/zinc/86/91/60/977869160.db2.gz GJQBKGHEJRZKAB-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN Cc1nc(Cl)cc(NC2=CCOCC2)n1 ZINC001176139330 977912600 /nfs/dbraw/zinc/91/26/00/977912600.db2.gz ACUMVEZDSRSPRQ-UHFFFAOYSA-N 0 1 225.679 2.155 20 0 BEADMN Cc1ccnc(F)c1N=C1CCOCC1 ZINC001176140143 977919404 /nfs/dbraw/zinc/91/94/04/977919404.db2.gz DWHLMFVXYGTKDP-UHFFFAOYSA-N 0 1 208.236 2.245 20 0 BEADMN Fc1ccc(N=C2CCOCC2)c(F)n1 ZINC001176142045 977925129 /nfs/dbraw/zinc/92/51/29/977925129.db2.gz RLRISWHEJUOHSO-UHFFFAOYSA-N 0 1 212.199 2.076 20 0 BEADMN Cc1scnc1CN1CC[C@@H](C)[C@@H](O)CC1 ZINC001232204717 977929187 /nfs/dbraw/zinc/92/91/87/977929187.db2.gz WBQKDEMWGPJWAS-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCCC[C@@](C)(O)C1 ZINC001232200893 977925482 /nfs/dbraw/zinc/92/54/82/977925482.db2.gz BBDZBYRDQRSLPP-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN COC1(C)CCN(Cc2cnsc2)CC1 ZINC001232225233 977952560 /nfs/dbraw/zinc/95/25/60/977952560.db2.gz YCNXKDBXNVWZML-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN c1nscc1CN1CCC[C@@]2(CCOC2)C1 ZINC001232226121 977954416 /nfs/dbraw/zinc/95/44/16/977954416.db2.gz NIRPLUIUWNIXFG-GFCCVEGCSA-N 0 1 238.356 2.146 20 0 BEADMN Cc1nnc(CN[C@H]2CC=CCC2)s1 ZINC000698256453 1167642665 /nfs/dbraw/zinc/64/26/65/1167642665.db2.gz UPISKVOXHUUENG-VIFPVBQESA-N 0 1 209.318 2.045 20 0 BEADMN CSc1ccc(CN(C)[C@H]2CCOC2)cn1 ZINC001232329530 978002310 /nfs/dbraw/zinc/00/23/10/978002310.db2.gz ZRZKDIGPODXLSZ-NSHDSACASA-N 0 1 238.356 2.024 20 0 BEADMN CCOC1CN([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168425121 1167697149 /nfs/dbraw/zinc/69/71/49/1167697149.db2.gz CGIFVOAFBBBFQY-AWEZNQCLSA-N 0 1 249.329 2.404 20 0 BEADMN C[C@H]1CCCCN1Cc1ccc2c(n1)OCCO2 ZINC001233838549 1167721448 /nfs/dbraw/zinc/72/14/48/1167721448.db2.gz IAVNYPOBNGYPRV-NSHDSACASA-N 0 1 248.326 2.227 20 0 BEADMN COCCOC1CN(C2CCC(C)(C)CC2)C1 ZINC000459453935 1167801286 /nfs/dbraw/zinc/80/12/86/1167801286.db2.gz DHOZIJYPSMXHGY-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)CC1(C)COC1 ZINC001233261094 978517698 /nfs/dbraw/zinc/51/76/98/978517698.db2.gz BCFAFLKSJWNMFD-UHFFFAOYSA-N 0 1 237.368 2.444 20 0 BEADMN Cc1cc(CN2CC[C@@](C)(O)[C@@H](C)C2)sn1 ZINC001233309806 978536205 /nfs/dbraw/zinc/53/62/05/978536205.db2.gz CBUFOUIBSHESRL-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2ccc(Cl)o2)C1 ZINC001233314122 978539671 /nfs/dbraw/zinc/53/96/71/978539671.db2.gz IAEJWBFDXJGNAU-IUCAKERBSA-N 0 1 229.707 2.136 20 0 BEADMN Cc1cnsc1CN1CC[C@@]2(CCCO2)C1 ZINC001233318390 978550816 /nfs/dbraw/zinc/55/08/16/978550816.db2.gz BGNWUXSTTHJZTJ-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN CCn1ccc(CNCC(CC)(CC)OC)n1 ZINC001178831159 978631381 /nfs/dbraw/zinc/63/13/81/978631381.db2.gz JMXMGPIPSCIGPZ-UHFFFAOYSA-N 0 1 239.363 2.198 20 0 BEADMN Cc1ccoc1C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC001600608350 978707330 /nfs/dbraw/zinc/70/73/30/978707330.db2.gz WKLQWUNBKZXDDD-SNVBAGLBSA-N 0 1 237.299 2.416 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN1CCNC(=O)[C@@H]1C ZINC001179993330 978803099 /nfs/dbraw/zinc/80/30/99/978803099.db2.gz JMJUPCPJWLFNHW-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ncn(C)c1CN1CC2(C1)CCCC2 ZINC001235537909 979078322 /nfs/dbraw/zinc/07/83/22/979078322.db2.gz JHWUVVPWUFZIJH-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN C[C@H]1CCN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235683911 979120203 /nfs/dbraw/zinc/12/02/03/979120203.db2.gz QMBYWEYJWKWZSX-QMMMGPOBSA-N 0 1 219.263 2.296 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)c(F)c2C)C1 ZINC001237155507 1168246341 /nfs/dbraw/zinc/24/63/41/1168246341.db2.gz RYECCAWZVPVQSK-LLVKDONJSA-N 0 1 241.281 2.494 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001603503262 979465459 /nfs/dbraw/zinc/46/54/59/979465459.db2.gz BGWHZQITGRTUCH-JQWIXIFHSA-N 0 1 243.372 2.069 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001603503264 979464180 /nfs/dbraw/zinc/46/41/80/979464180.db2.gz BGWHZQITGRTUCH-ZYHUDNBSSA-N 0 1 243.372 2.069 20 0 BEADMN Cc1nnc([C@@H](C)NC2CCSCC2)s1 ZINC000135010784 1168259129 /nfs/dbraw/zinc/25/91/29/1168259129.db2.gz SFKRMDFTJFXELF-SSDOTTSWSA-N 0 1 243.401 2.393 20 0 BEADMN Cc1cnc([C@@H](C)Sc2nnc(C)[nH]2)o1 ZINC001341617568 979491544 /nfs/dbraw/zinc/49/15/44/979491544.db2.gz JWWQNPNNXLPCDW-ZCFIWIBFSA-N 0 1 224.289 2.263 20 0 BEADMN Cc1n[nH]c(S[C@H](C)c2ncc(C)o2)n1 ZINC001341617568 979491546 /nfs/dbraw/zinc/49/15/46/979491546.db2.gz JWWQNPNNXLPCDW-ZCFIWIBFSA-N 0 1 224.289 2.263 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001603766788 979515831 /nfs/dbraw/zinc/51/58/31/979515831.db2.gz JVLXTHCWXAYDPX-UWVGGRQHSA-N 0 1 249.301 2.463 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032471654 1168278524 /nfs/dbraw/zinc/27/85/24/1168278524.db2.gz CSNGBLHLVGWNLU-RDBSUJKOSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CC[C@@H](C)C2)n1 ZINC001341832215 979573265 /nfs/dbraw/zinc/57/32/65/979573265.db2.gz PLLSRPURCZXRAW-BDAKNGLRSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC001341832215 979573271 /nfs/dbraw/zinc/57/32/71/979573271.db2.gz PLLSRPURCZXRAW-BDAKNGLRSA-N 0 1 236.319 2.303 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC3(CCCC3)C2)CC1 ZINC000691626037 979604508 /nfs/dbraw/zinc/60/45/08/979604508.db2.gz BTKMWXDGIRWQEY-UHFFFAOYSA-N 0 1 223.316 2.117 20 0 BEADMN CC1(C)CN(CC2OC=CC2=S)CCO1 ZINC001237183099 979833809 /nfs/dbraw/zinc/83/38/09/979833809.db2.gz OPVFCJCSQYFDLS-UHFFFAOYSA-N 0 1 227.329 2.179 20 0 BEADMN C[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1(C)CCCC1 ZINC001606096740 979952290 /nfs/dbraw/zinc/95/22/90/979952290.db2.gz NGYRWUMTNPVNHU-BDAKNGLRSA-N 0 1 247.285 2.217 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CO[C@@H](C)C1 ZINC001343077136 980000217 /nfs/dbraw/zinc/00/02/17/980000217.db2.gz KGSCJVQSPGQEES-VHSXEESVSA-N 0 1 239.290 2.101 20 0 BEADMN COC[C@@H](C)NCc1c(F)cc(C)cc1F ZINC001343099562 980007225 /nfs/dbraw/zinc/00/72/25/980007225.db2.gz ZFBXBDPYLWNDBV-SECBINFHSA-N 0 1 229.270 2.398 20 0 BEADMN CCc1ncc(CN2CC([C@H](C)OC)C2)s1 ZINC001237830938 980071498 /nfs/dbraw/zinc/07/14/98/980071498.db2.gz RVLMPHADOCHKGO-VIFPVBQESA-N 0 1 240.372 2.172 20 0 BEADMN CC(C)CCn1[nH]c(CC2CC2)cc1=O ZINC001343348865 980073884 /nfs/dbraw/zinc/07/38/84/980073884.db2.gz STJQERLXYAWONC-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN c1csc(CNCc2ccns2)c1 ZINC000404414401 1168457697 /nfs/dbraw/zinc/45/76/97/1168457697.db2.gz MBFLBDTWSZOEAD-UHFFFAOYSA-N 0 1 210.327 2.494 20 0 BEADMN CCO[C@H]1CCCN(C/C=C\Cl)C1 ZINC000379410104 1168460888 /nfs/dbraw/zinc/46/08/88/1168460888.db2.gz FLXFXKVULHOPFR-OAQKJQOQSA-N 0 1 203.713 2.240 20 0 BEADMN COCCN(C)Cc1cc(C)c(C)cc1OC ZINC001238757090 980319095 /nfs/dbraw/zinc/31/90/95/980319095.db2.gz AYKGUTGMFXRGME-UHFFFAOYSA-N 0 1 237.343 2.390 20 0 BEADMN CCC(CC)COC(=O)N1CCNC[C@@H]1CC ZINC001239333941 980540476 /nfs/dbraw/zinc/54/04/76/980540476.db2.gz KDJPIFDJBQFHQN-LBPRGKRZSA-N 0 1 242.363 2.243 20 0 BEADMN Cc1ccc(CO)cc1-c1cc2[nH]cnc2cn1 ZINC001242665562 1168509531 /nfs/dbraw/zinc/50/95/31/1168509531.db2.gz TUNPGPKEGZFZGT-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCC[C@@H](OC)c1noc(CNCC(C)C)n1 ZINC000227316159 1168555566 /nfs/dbraw/zinc/55/55/66/1168555566.db2.gz HHXSEBKVIWESLR-SNVBAGLBSA-N 0 1 241.335 2.303 20 0 BEADMN CN(CCC(F)(F)F)C[C@@H]1COC(C)(C)O1 ZINC001347099222 980969568 /nfs/dbraw/zinc/96/95/68/980969568.db2.gz UNZWQVAIWMDLID-MRVPVSSYSA-N 0 1 241.253 2.022 20 0 BEADMN Cc1ccnc(-c2cc(F)c(O)c(F)c2)n1 ZINC001250456138 981134146 /nfs/dbraw/zinc/13/41/46/981134146.db2.gz SQGWMUAXKUUHDL-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Fc1ccc2n[nH]c(CN3C[C@@H]4C[C@@H]4C3)c2c1 ZINC001144192583 1168647325 /nfs/dbraw/zinc/64/73/25/1168647325.db2.gz FGPWNLTXKXOYHQ-DTORHVGOSA-N 0 1 231.274 2.154 20 0 BEADMN Fc1ccc2[nH]nc(CN3C[C@@H]4C[C@@H]4C3)c2c1 ZINC001144192583 1168647328 /nfs/dbraw/zinc/64/73/28/1168647328.db2.gz FGPWNLTXKXOYHQ-DTORHVGOSA-N 0 1 231.274 2.154 20 0 BEADMN CCCCCNC(=O)Nc1ncc(F)cc1O ZINC001193295630 981285792 /nfs/dbraw/zinc/28/57/92/981285792.db2.gz OXYZYZMIVJCIRY-UHFFFAOYSA-N 0 1 241.266 2.238 20 0 BEADMN C/C(=C/Cl)CSc1nccnc1CN ZINC001348137384 981294710 /nfs/dbraw/zinc/29/47/10/981294710.db2.gz JYHAANBSWQISFX-DAXSKMNVSA-N 0 1 229.736 2.170 20 0 BEADMN Cc1cc(Cl)nc(Nc2nccnc2CN)c1 ZINC001171440357 1168671075 /nfs/dbraw/zinc/67/10/75/1168671075.db2.gz CEGWECQBGKFXBG-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN NCc1nccnc1Nc1cccc2c1CC=C2 ZINC001171447517 1168673088 /nfs/dbraw/zinc/67/30/88/1168673088.db2.gz GFBGUSZVRXTJAW-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CC(C)COC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001193803075 981454225 /nfs/dbraw/zinc/45/42/25/981454225.db2.gz HSGMTIBVWFVYDW-UHFFFAOYSA-N 0 1 245.666 2.040 20 0 BEADMN CCCCCOC(=O)N1CC(N2CCCC2)C1 ZINC001193761517 981445366 /nfs/dbraw/zinc/44/53/66/981445366.db2.gz CZBBJDCTFMIWSB-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN CCCOC(=O)NC1=NCC(=O)C=C1Cl ZINC001194093630 981568588 /nfs/dbraw/zinc/56/85/88/981568588.db2.gz AARPAIUXDNRMQZ-UHFFFAOYSA-N 0 1 230.651 2.399 20 0 BEADMN Cc1cc(Nc2ccc3nn[nH]c3c2)nc(C)n1 ZINC001175996009 1168699685 /nfs/dbraw/zinc/69/96/85/1168699685.db2.gz LFMWLWJHTWIODU-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1cc(Nc2ccc3n[nH]nc3c2)nc(C)n1 ZINC001175996009 1168699688 /nfs/dbraw/zinc/69/96/88/1168699688.db2.gz LFMWLWJHTWIODU-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN CC[C@@H](C)OC(=O)N1CCN(CC(C)C)CC1 ZINC001195087918 982074033 /nfs/dbraw/zinc/07/40/33/982074033.db2.gz KQWWMCMAUHMHRD-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN COC/C(C)=C/CN1CC(C)(C)OC[C@@H]1C ZINC001351398244 982309182 /nfs/dbraw/zinc/30/91/82/982309182.db2.gz DJESWGPRNGNUHN-BCMYLCSRSA-N 0 1 227.348 2.078 20 0 BEADMN Cc1nnc(C2=CCN(C)CC2)c(C)c1C ZINC001241317718 982472275 /nfs/dbraw/zinc/47/22/75/982472275.db2.gz UBTKQXSFSVKPNW-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN Cc1nccc(C2=CCN(C)CC2)c1F ZINC001241330772 982484357 /nfs/dbraw/zinc/48/43/57/982484357.db2.gz YNRPDIDETXHKJN-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCc1nccnc1NC1=CCSCC1 ZINC001201333253 983189959 /nfs/dbraw/zinc/18/99/59/983189959.db2.gz UWHISONWYKIRAI-UHFFFAOYSA-N 0 1 221.329 2.472 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1(C)CC1 ZINC001592950590 983223287 /nfs/dbraw/zinc/22/32/87/983223287.db2.gz IWISFEIZEBDQMD-XHNCKOQMSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@H](CO)NCc1ncc(-c2ccccc2)s1 ZINC000092374220 1169003310 /nfs/dbraw/zinc/00/33/10/1169003310.db2.gz NPNRBVKKNGPQBN-SNVBAGLBSA-N 0 1 248.351 2.281 20 0 BEADMN c1nocc1CCNc1ccc2c(n1)CCC2 ZINC000719310304 1169054343 /nfs/dbraw/zinc/05/43/43/1169054343.db2.gz ZBBPGAKJHUYAEB-UHFFFAOYSA-N 0 1 229.283 2.213 20 0 BEADMN CCC[C@H](CC)[NH2+]CCCC[P@](=O)([O-])O ZINC001257246916 1169072034 /nfs/dbraw/zinc/07/20/34/1169072034.db2.gz GTEQCMNCDJEWKT-JTQLQIEISA-N 0 1 237.280 2.113 20 0 BEADMN CCCCCCN1CCn2nccc2C1 ZINC001201756964 983462223 /nfs/dbraw/zinc/46/22/23/983462223.db2.gz PSJRZLWCCAJGOD-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN CCCC[C@@H](CC)Nc1nccnc1CN ZINC001257413459 1169085077 /nfs/dbraw/zinc/08/50/77/1169085077.db2.gz WLRCDFKQLCHSDA-SNVBAGLBSA-N 0 1 222.336 2.316 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)OC(C)C ZINC000043447008 1169088329 /nfs/dbraw/zinc/08/83/29/1169088329.db2.gz NIWZWPFNULYUJT-SNVBAGLBSA-N 0 1 201.310 2.058 20 0 BEADMN CCC[C@H](O)CN1CCC[C@H]1c1nccs1 ZINC001252789567 983885893 /nfs/dbraw/zinc/88/58/93/983885893.db2.gz VLNQXEVDDRWTSU-QWRGUYRKSA-N 0 1 240.372 2.441 20 0 BEADMN CCC[C@@H](O)CNc1cccc2[nH]ncc21 ZINC001252791178 983888528 /nfs/dbraw/zinc/88/85/28/983888528.db2.gz OUPKTZPOUBWRNF-SECBINFHSA-N 0 1 219.288 2.136 20 0 BEADMN CC[C@@H]1C[C@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC000351080347 1169206131 /nfs/dbraw/zinc/20/61/31/1169206131.db2.gz HZONTPNOQAVKIL-JLLWLGSASA-N 0 1 247.342 2.392 20 0 BEADMN Cc1c(CN2CCCC2)nc2ccccn12 ZINC001137267083 1169236844 /nfs/dbraw/zinc/23/68/44/1169236844.db2.gz MFKFQYMQVGDTNN-UHFFFAOYSA-N 0 1 215.300 2.239 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)ccn1 ZINC001137408809 1169242390 /nfs/dbraw/zinc/24/23/90/1169242390.db2.gz QVEFCGXJNHNGCT-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN Cc1cc(CN2CC[C@@H]3CCO[C@H]3C2)ccn1 ZINC001137408716 1169243550 /nfs/dbraw/zinc/24/35/50/1169243550.db2.gz OTYMKNHILNBNKS-KGLIPLIRSA-N 0 1 232.327 2.001 20 0 BEADMN Cc1cc(C[N@@H+](C)CCCC(=O)[O-])cs1 ZINC000309052596 950661996 /nfs/dbraw/zinc/66/19/96/950661996.db2.gz QQCWCNDEEMQNQJ-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CCCCF ZINC000309211106 950671359 /nfs/dbraw/zinc/67/13/59/950671359.db2.gz NWWUSOOTIJOWGF-NSHDSACASA-N 0 1 231.311 2.455 20 0 BEADMN CCOCC[C@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001172418961 974690619 /nfs/dbraw/zinc/69/06/19/974690619.db2.gz HWYNWFZNNCVKLW-VHSXEESVSA-N 0 1 241.310 2.081 20 0 BEADMN C[C@@H](Oc1[nH]c(=O)ncc1F)c1ccco1 ZINC001225885837 974718848 /nfs/dbraw/zinc/71/88/48/974718848.db2.gz OZXSTGWQHWJNRM-ZCFIWIBFSA-N 0 1 224.191 2.054 20 0 BEADMN CC1(C)CCC(=O)N1CN1CCC[C@@H](CF)C1 ZINC001331479409 974736112 /nfs/dbraw/zinc/73/61/12/974736112.db2.gz ZATWNSBBRDVCCF-NSHDSACASA-N 0 1 242.338 2.026 20 0 BEADMN Cc1nonc1CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000782105811 1169291976 /nfs/dbraw/zinc/29/19/76/1169291976.db2.gz DWDRYYHPMTXPSJ-GWCFXTLKSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)COCC[C@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172473386 974771104 /nfs/dbraw/zinc/77/11/04/974771104.db2.gz LYFLYGNPVOCCRM-OLZOCXBDSA-N 0 1 241.375 2.349 20 0 BEADMN CO[C@H]1CN([C@H](C)CCOCC(C)C)C[C@@H]1F ZINC001172472438 974771486 /nfs/dbraw/zinc/77/14/86/974771486.db2.gz IZZKSKJJFFQZFS-AGIUHOORSA-N 0 1 247.354 2.106 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001172442269 974800963 /nfs/dbraw/zinc/80/09/63/974800963.db2.gz HWRHASXXAWSIDK-RYUDHWBXSA-N 0 1 245.338 2.193 20 0 BEADMN COc1cc(CN(C)Cc2cnc[nH]2)ccc1F ZINC001118648285 1169311491 /nfs/dbraw/zinc/31/14/91/1169311491.db2.gz QOOQEPDTRCYHMF-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN CC(C)COCC[C@@H](C)NCc1ccon1 ZINC001172457995 974821638 /nfs/dbraw/zinc/82/16/38/974821638.db2.gz UVFIPXXXRGTJSK-LLVKDONJSA-N 0 1 226.320 2.215 20 0 BEADMN Cc1c(C)c(Nc2ccncc2)ccc1CO ZINC001215233603 1169325955 /nfs/dbraw/zinc/32/59/55/1169325955.db2.gz IATOUHIOMLTDED-UHFFFAOYSA-N 0 1 228.295 2.356 20 0 BEADMN COC(=O)C[C@@H](C)Nc1ccc(C)c(C)n1 ZINC001160528133 972682138 /nfs/dbraw/zinc/68/21/38/972682138.db2.gz GKQZUXXYULSVCS-SECBINFHSA-N 0 1 222.288 2.062 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140272558 1169368909 /nfs/dbraw/zinc/36/89/09/1169368909.db2.gz APAUMGFJAYMZQS-VXGBXAGGSA-N 0 1 232.327 2.409 20 0 BEADMN CC1(C)CC(=O)N1CN1CCC[C@@H](CCF)C1 ZINC001328024154 972851354 /nfs/dbraw/zinc/85/13/54/972851354.db2.gz NDJWHVOAXPVGPT-NSHDSACASA-N 0 1 242.338 2.026 20 0 BEADMN CC1(C)CC(=O)N1CN1CCC[C@H](CCF)C1 ZINC001328024153 972851918 /nfs/dbraw/zinc/85/19/18/972851918.db2.gz NDJWHVOAXPVGPT-LLVKDONJSA-N 0 1 242.338 2.026 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664393 972927230 /nfs/dbraw/zinc/92/72/30/972927230.db2.gz GLGGDELJXFVSOH-ZETCQYMHSA-N 0 1 211.286 2.041 20 0 BEADMN O=c1[nH]c2ccc(Nc3ccncc3)cc2o1 ZINC000146402345 1169411160 /nfs/dbraw/zinc/41/11/60/1169411160.db2.gz DKWJKRSWRFOTAO-UHFFFAOYSA-N 0 1 227.223 2.260 20 0 BEADMN CCN(CC)C(=O)c1nc2cccc(C)c2[nH]1 ZINC001151983172 1169412981 /nfs/dbraw/zinc/41/29/81/1169412981.db2.gz XTZAKBGWJGIBMI-UHFFFAOYSA-N 0 1 231.299 2.353 20 0 BEADMN CS[C@@H]1CC[C@@H](N(C)Cc2nc(C)c[nH]2)C1 ZINC001329061104 973457774 /nfs/dbraw/zinc/45/77/74/973457774.db2.gz JGMGGTJEHYLDOH-GHMZBOCLSA-N 0 1 239.388 2.434 20 0 BEADMN O=C([O-])CC[N@@H+](C[C@@H]1CC=CCC1)C1CC1 ZINC000402238939 970777385 /nfs/dbraw/zinc/77/73/85/970777385.db2.gz ZLWWOLVRAITJKU-LLVKDONJSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)CC[C@H](C)N1CC(=O)N2CCC[C@H]2C1 ZINC001256370825 970782631 /nfs/dbraw/zinc/78/26/31/970782631.db2.gz KSHQPJCWBAIWNZ-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(Nc2cc3n[nH]cc3c(F)c2)nn1C ZINC001215551892 970782950 /nfs/dbraw/zinc/78/29/50/970782950.db2.gz BPBKSJDFKAVVCO-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN Fc1cc(Nc2ccncn2)cc2[nH]ncc21 ZINC001215553051 970786007 /nfs/dbraw/zinc/78/60/07/970786007.db2.gz MOBVEZTZDLXWMO-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CCN(CC(=O)OC)[C@H](C)CCC(C)C ZINC001256375248 970788605 /nfs/dbraw/zinc/78/86/05/970788605.db2.gz VDFLXEPWZAGMME-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1nn(C)cc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552469 970789258 /nfs/dbraw/zinc/78/92/58/970789258.db2.gz ODSXIIHYPFABCM-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN Cn1nccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215552710 970789648 /nfs/dbraw/zinc/78/96/48/970789648.db2.gz ADJOABPGRGCUEQ-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN Nc1cncc(Nc2cc3[nH]ncc3c(F)c2)c1 ZINC001215553658 970790058 /nfs/dbraw/zinc/79/00/58/970790058.db2.gz ALQNUWCAXNCQEB-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN Cc1nc(CN[C@@H]2CO[C@H](C)C2)sc1C ZINC000402369271 970793167 /nfs/dbraw/zinc/79/31/67/970793167.db2.gz XRQIRLSCPOUPBM-XCBNKYQSSA-N 0 1 226.345 2.027 20 0 BEADMN COC(C)(CNc1nc(C)cc2cc[nH]c21)OC ZINC001170434469 970807190 /nfs/dbraw/zinc/80/71/90/970807190.db2.gz YMKDILZSRQVXFP-UHFFFAOYSA-N 0 1 249.314 2.292 20 0 BEADMN COC(C)(CNc1nc(C)ccc1C)OC ZINC001170434091 970807519 /nfs/dbraw/zinc/80/75/19/970807519.db2.gz OUPFANZCZJZWMT-UHFFFAOYSA-N 0 1 224.304 2.119 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001256408783 970815593 /nfs/dbraw/zinc/81/55/93/970815593.db2.gz DDAJULFQGJMLAI-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)Cc1nnc(-c2nccc3nc[nH]c32)o1 ZINC001256421200 970825973 /nfs/dbraw/zinc/82/59/73/970825973.db2.gz PNBPXHGHTNFGQN-UHFFFAOYSA-N 0 1 243.270 2.206 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@H](C)O[C@@H](C)C1 ZINC001256420653 970826277 /nfs/dbraw/zinc/82/62/77/970826277.db2.gz DDAJULFQGJMLAI-AVGNSLFASA-N 0 1 234.343 2.122 20 0 BEADMN Cc1ccc(Nc2cnccn2)c2cn[nH]c21 ZINC001215753600 970826427 /nfs/dbraw/zinc/82/64/27/970826427.db2.gz AHIQCNHQMNOVNA-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(Nc2ncccn2)c2cn[nH]c21 ZINC001215753967 970828034 /nfs/dbraw/zinc/82/80/34/970828034.db2.gz IMPZANHUIVLVOG-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccccn1 ZINC001256423917 970829616 /nfs/dbraw/zinc/82/96/16/970829616.db2.gz MFBOZRKKSAHBQR-FZMZJTMJSA-N 0 1 232.327 2.066 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCOCC12CCC2 ZINC001256423149 970831364 /nfs/dbraw/zinc/83/13/64/970831364.db2.gz ZKJHIAXELWNVGB-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)Oc1cc(Nc2ccncc2)ccn1 ZINC001215764352 970835726 /nfs/dbraw/zinc/83/57/26/970835726.db2.gz FNGCCEAMBVLCLO-UHFFFAOYSA-N 0 1 229.283 2.429 20 0 BEADMN CCOCc1cncc(Nc2nnc(C)o2)c1 ZINC001215786037 970840846 /nfs/dbraw/zinc/84/08/46/970840846.db2.gz XHMZSMYUIUXLLB-UHFFFAOYSA-N 0 1 234.259 2.053 20 0 BEADMN CSc1cc(-n2cncc2N)ccc1F ZINC001215793773 970846045 /nfs/dbraw/zinc/84/60/45/970846045.db2.gz CGSZALUPFNAKEN-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN COc1cccc(-n2cnc(C)c2N)c1C ZINC001215799335 970848609 /nfs/dbraw/zinc/84/86/09/970848609.db2.gz UVYAGMBGPRDWHW-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CSc1ccc(F)c(-n2cncc2N)c1F ZINC001215839944 970859688 /nfs/dbraw/zinc/85/96/88/970859688.db2.gz YUOFCVBZIYTYDG-UHFFFAOYSA-N 0 1 241.266 2.455 20 0 BEADMN CSc1cc(C)ccc1Nc1nonc1N ZINC001215871211 970866036 /nfs/dbraw/zinc/86/60/36/970866036.db2.gz XHAIYUOJEBWYTK-UHFFFAOYSA-N 0 1 236.300 2.426 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1ncc2c(n1)CNC2 ZINC001157879691 970866530 /nfs/dbraw/zinc/86/65/30/970866530.db2.gz GYECZFPXUAZQJR-NXEZZACHSA-N 0 1 234.347 2.316 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1ncnc2c1CCNC2 ZINC001157879396 970868998 /nfs/dbraw/zinc/86/89/98/970868998.db2.gz GKMWVDIHWCZAOJ-QWRGUYRKSA-N 0 1 248.374 2.359 20 0 BEADMN Nc1cncn1-c1cc(F)cc(F)c1Cl ZINC001215950017 970876187 /nfs/dbraw/zinc/87/61/87/970876187.db2.gz LMAZUAGUBOSAHP-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN Cc1nnc(Nc2c(O)cccc2Cl)o1 ZINC001215983811 970887634 /nfs/dbraw/zinc/88/76/34/970887634.db2.gz UGOSHISIBPXOAO-UHFFFAOYSA-N 0 1 225.635 2.481 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403250203 970896522 /nfs/dbraw/zinc/89/65/22/970896522.db2.gz UKEMXZAIQTZHFS-XQHKEYJVSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2nccc3nc[nH]c32)o1 ZINC001256634976 970897650 /nfs/dbraw/zinc/89/76/50/970897650.db2.gz PSWVHQBVYXGYCZ-NKWVEPMBSA-N 0 1 241.254 2.131 20 0 BEADMN Nc1c(F)c(F)c(F)cc1Nc1ccncc1 ZINC001216006882 970900166 /nfs/dbraw/zinc/90/01/66/970900166.db2.gz RIBVAOWMWUNTOC-UHFFFAOYSA-N 0 1 239.200 2.247 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(C23CCCN2CCC3)o1 ZINC001256688981 970922011 /nfs/dbraw/zinc/92/20/11/970922011.db2.gz BSHAQLNCCDMJRU-VHSXEESVSA-N 0 1 233.315 2.278 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(C23CCCN2CCC3)o1 ZINC001256688982 970922858 /nfs/dbraw/zinc/92/28/58/970922858.db2.gz BSHAQLNCCDMJRU-ZJUUUORDSA-N 0 1 233.315 2.278 20 0 BEADMN Cc1cc(Nc2ccnc(CO)c2)cc(O)c1F ZINC001216078794 970928279 /nfs/dbraw/zinc/92/82/79/970928279.db2.gz KTPGMXYRPBIVBX-UHFFFAOYSA-N 0 1 248.257 2.471 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001256717557 970932917 /nfs/dbraw/zinc/93/29/17/970932917.db2.gz HRNUYSAEFRQZLG-UHNVWZDZSA-N 0 1 224.651 2.237 20 0 BEADMN Nc1cncn1-c1ccc(N)cc1C(F)(F)F ZINC001216129888 970947973 /nfs/dbraw/zinc/94/79/73/970947973.db2.gz PZOXYVXGMCJZNV-UHFFFAOYSA-N 0 1 242.204 2.056 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2cnccc2N(C)C)o1 ZINC001256736950 970966602 /nfs/dbraw/zinc/96/66/02/970966602.db2.gz OADIBCWSQJZZCO-DTWKUNHWSA-N 0 1 244.298 2.321 20 0 BEADMN C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000087393002 1169493646 /nfs/dbraw/zinc/49/36/46/1169493646.db2.gz IOJPDLYTLFCXLB-SSDOTTSWSA-N 0 1 242.344 2.003 20 0 BEADMN c1ccc([C@@H]2C[C@H](N3CCOCC3)CCO2)cc1 ZINC001256808209 970991354 /nfs/dbraw/zinc/99/13/54/970991354.db2.gz UOINPYPGLRIGBT-CABCVRRESA-N 0 1 247.338 2.239 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256809369 970992274 /nfs/dbraw/zinc/99/22/74/970992274.db2.gz ZDKJPIWPBJXBQX-CABCVRRESA-N 0 1 247.338 2.428 20 0 BEADMN CN(C)Cc1cccc(Nc2cccnn2)c1F ZINC001216226972 970994585 /nfs/dbraw/zinc/99/45/85/970994585.db2.gz JQSQXNKOARMVJG-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN CN(C)Cc1cccc(Nc2cnn(C)c2)c1F ZINC001216227136 970995334 /nfs/dbraw/zinc/99/53/34/970995334.db2.gz RRJPMDOZTSMAHM-UHFFFAOYSA-N 0 1 248.305 2.364 20 0 BEADMN CCC[C@H]([NH2+]Cc1nc(C)c(C)s1)C(=O)[O-] ZINC000087393035 1169496562 /nfs/dbraw/zinc/49/65/62/1169496562.db2.gz OZJMLQCLLNOEOF-VIFPVBQESA-N 0 1 242.344 2.103 20 0 BEADMN Cc1cccc(S(=O)(=O)Nc2ccoc2)c1 ZINC001256872582 971006132 /nfs/dbraw/zinc/00/61/32/971006132.db2.gz GQPBJLNMOVOPMF-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN C[C@H]1CCN(CC=C(Cl)Cl)[C@H]1CO ZINC000403664906 971010220 /nfs/dbraw/zinc/01/02/20/971010220.db2.gz UBBPTTRYLYRATF-YUMQZZPRSA-N 0 1 224.131 2.008 20 0 BEADMN Cc1c(F)ccc(F)c1-n1cncc1N ZINC001216341644 971055058 /nfs/dbraw/zinc/05/50/58/971055058.db2.gz BADKMTBYMCYKMF-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000403778236 971060589 /nfs/dbraw/zinc/06/05/89/971060589.db2.gz UNMUZANBFNJNBL-NWDGAFQWSA-N 0 1 241.375 2.491 20 0 BEADMN CCOc1cc(C)cc(F)c1-n1cncc1N ZINC001216367547 971067295 /nfs/dbraw/zinc/06/72/95/971067295.db2.gz LQHDMUNOURNEQK-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CC(=O)c1ccc(NC2=CCN(C)CC2)cc1O ZINC001208858973 1169509643 /nfs/dbraw/zinc/50/96/43/1169509643.db2.gz TWWOGMYLKHIJLF-UHFFFAOYSA-N 0 1 246.310 2.226 20 0 BEADMN Cc1ncn(-c2cc(Cl)ccc2O)c1N ZINC001216398896 971070792 /nfs/dbraw/zinc/07/07/92/971070792.db2.gz LVECBZFSHOKWBJ-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN Cc1nc(CNC2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC001257069920 971083935 /nfs/dbraw/zinc/08/39/35/971083935.db2.gz JDKRJJXWDHSZAO-RKDXNWHRSA-N 0 1 238.331 2.337 20 0 BEADMN C[C@@H]1CC(NC2(c3ncccn3)CC2)C[C@@H](C)O1 ZINC001257083098 971096823 /nfs/dbraw/zinc/09/68/23/971096823.db2.gz FFMYMQBFIPHDQE-GHMZBOCLSA-N 0 1 247.342 2.011 20 0 BEADMN Cc1cccc2c1nc(N)n2C1=CCCOC1 ZINC001216504704 971101216 /nfs/dbraw/zinc/10/12/16/971101216.db2.gz MXQTZMLUYHVQKA-UHFFFAOYSA-N 0 1 229.283 2.188 20 0 BEADMN COc1ccc(C)nc1NC1=CCCOC1 ZINC001216505761 971105827 /nfs/dbraw/zinc/10/58/27/971105827.db2.gz NQVIPXWBHPZWOO-UHFFFAOYSA-N 0 1 220.272 2.115 20 0 BEADMN CCc1ncsc1N=C1CCCOC1 ZINC001216506475 971107271 /nfs/dbraw/zinc/10/72/71/971107271.db2.gz ODGURVJBQQGQTE-UHFFFAOYSA-N 0 1 210.302 2.422 20 0 BEADMN COCCc1ncc(CNC(C)(C)CF)s1 ZINC001329723313 973898340 /nfs/dbraw/zinc/89/83/40/973898340.db2.gz MGJPGSWAFJOZHY-UHFFFAOYSA-N 0 1 246.351 2.170 20 0 BEADMN CCCCOC1CN(C2C[C@H](C)O[C@@H](C)C2)C1 ZINC001257096792 971108834 /nfs/dbraw/zinc/10/88/34/971108834.db2.gz JDNVZVRHGIKYRR-RYUDHWBXSA-N 0 1 241.375 2.443 20 0 BEADMN CCCOC1CN(C2C[C@@H](C)O[C@H](C)C2)C1 ZINC001257098472 971110843 /nfs/dbraw/zinc/11/08/43/971110843.db2.gz ZQWFGJKXOQVWEK-GHMZBOCLSA-N 0 1 227.348 2.053 20 0 BEADMN CCOc1cc(Nc2ccnc(CO)c2)ccn1 ZINC001216623816 971141239 /nfs/dbraw/zinc/14/12/39/971141239.db2.gz WGSWISQTFXBTSK-UHFFFAOYSA-N 0 1 245.282 2.111 20 0 BEADMN Cn1cncc1Nc1ccc2[nH]c(=O)oc2c1 ZINC001211250679 1169533036 /nfs/dbraw/zinc/53/30/36/1169533036.db2.gz QVBBMNSLPIEAFK-UHFFFAOYSA-N 0 1 230.227 2.011 20 0 BEADMN COC(=O)c1cc(F)cc(Nc2cncn2C)c1 ZINC001211250795 1169532383 /nfs/dbraw/zinc/53/23/83/1169532383.db2.gz QUCLZPYGUACRRO-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN CC(C)(C)OC(=O)CCN1CCC(F)(F)CC1 ZINC000405056925 971188870 /nfs/dbraw/zinc/18/88/70/971188870.db2.gz LGRQOQRNCUBKMY-UHFFFAOYSA-N 0 1 249.301 2.449 20 0 BEADMN CCC[C@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001257309565 971201244 /nfs/dbraw/zinc/20/12/44/971201244.db2.gz NKRYRQWYSGHKRK-DTWKUNHWSA-N 0 1 211.284 2.455 20 0 BEADMN Cn1cncc1CNCc1ccc2cc[nH]c2c1 ZINC000388359689 1169538957 /nfs/dbraw/zinc/53/89/57/1169538957.db2.gz WEQXFGBTLGPXMG-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CCC[C@@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257325531 971228614 /nfs/dbraw/zinc/22/86/14/971228614.db2.gz KIXDMXAEUHHEPD-SNVBAGLBSA-N 0 1 232.318 2.200 20 0 BEADMN CCCC(CCC)N1CCn2nncc2C1 ZINC001257340493 971251583 /nfs/dbraw/zinc/25/15/83/971251583.db2.gz HRLUNVLAHZIXHG-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCCCCC[C@@H](C)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001257359984 971274608 /nfs/dbraw/zinc/27/46/08/971274608.db2.gz GOQBRVYZIOMPAI-SCZZXKLOSA-N 0 1 244.360 2.244 20 0 BEADMN CCSC[C@@H](C)NCc1cc(C)no1 ZINC000308645243 971280059 /nfs/dbraw/zinc/28/00/59/971280059.db2.gz GXGZHWXDNLFKGQ-SECBINFHSA-N 0 1 214.334 2.214 20 0 BEADMN CCCCOC(=O)CC[C@@H](C)N(C)CCF ZINC001257404078 971299445 /nfs/dbraw/zinc/29/94/45/971299445.db2.gz OQKBHHADEXADAB-LLVKDONJSA-N 0 1 233.327 2.400 20 0 BEADMN C[C@H]1CCCN[C@@H]1c1nnc(C2CCC2)o1 ZINC001217702944 971345798 /nfs/dbraw/zinc/34/57/98/971345798.db2.gz QHLAKVPGPQGAAS-WPRPVWTQSA-N 0 1 221.304 2.398 20 0 BEADMN Clc1cccc(Cc2nnc([C@H]3CCN3)o2)c1 ZINC001217717726 971359358 /nfs/dbraw/zinc/35/93/58/971359358.db2.gz DMBFZYMECDVGBR-SNVBAGLBSA-N 0 1 249.701 2.348 20 0 BEADMN CN[C@H](c1nnc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC001217737467 971375368 /nfs/dbraw/zinc/37/53/68/971375368.db2.gz ZETYRVZWGQEZHM-HRDYMLBCSA-N 0 1 223.320 2.500 20 0 BEADMN CCCCC[C@H](NC)c1nnc(CC)o1 ZINC001217755472 971386496 /nfs/dbraw/zinc/38/64/96/971386496.db2.gz DAKFWACEFSCGJF-VIFPVBQESA-N 0 1 211.309 2.473 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1CCCC[C@@H]1F)N(C)C ZINC000811055008 971388449 /nfs/dbraw/zinc/38/84/49/971388449.db2.gz YKISCCLMJMBCKG-SDDRHHMPSA-N 0 1 245.338 2.397 20 0 BEADMN CCC[C@@H](C)CC[C@H](C)N1CC(=O)NC[C@H]1C ZINC001257480449 971405188 /nfs/dbraw/zinc/40/51/88/971405188.db2.gz DZUXABZEIPYBDR-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@H](C)n1c(C)nnc1CN ZINC001257509990 971409290 /nfs/dbraw/zinc/40/92/90/971409290.db2.gz YCUXYVMFYOBVOF-VIFPVBQESA-N 0 1 210.325 2.187 20 0 BEADMN CCCCC[C@@H](C)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001257516940 971442736 /nfs/dbraw/zinc/44/27/36/971442736.db2.gz ORISQGFUFDYKQP-VXGBXAGGSA-N 0 1 247.404 2.074 20 0 BEADMN COC(=O)CCCCOc1cc(C)nc(C)c1 ZINC001330168962 974137855 /nfs/dbraw/zinc/13/78/55/974137855.db2.gz ROASHEKHRWEQSU-UHFFFAOYSA-N 0 1 237.299 2.421 20 0 BEADMN C1CCC(c2nnc(C34CCN(CC3)CC4)o2)C1 ZINC001257538307 971449912 /nfs/dbraw/zinc/44/99/12/971449912.db2.gz OZKMAYVTLHRUNV-UHFFFAOYSA-N 0 1 247.342 2.465 20 0 BEADMN Clc1nccnc1CN[C@H]1CCCSC1 ZINC001257657419 971459801 /nfs/dbraw/zinc/45/98/01/971459801.db2.gz AFZIKIJLWYYINL-QMMMGPOBSA-N 0 1 243.763 2.115 20 0 BEADMN c1ccc(C2(N[C@H]3CCCSC3)COC2)cc1 ZINC001257659871 971461091 /nfs/dbraw/zinc/46/10/91/971461091.db2.gz QHWAHZUCFQLDEY-ZDUSSCGKSA-N 0 1 249.379 2.397 20 0 BEADMN C1N([C@H]2CCCSC2)CC12CCCCO2 ZINC001257673204 971477183 /nfs/dbraw/zinc/47/71/83/971477183.db2.gz XQHZAPPMQCOIKA-NSHDSACASA-N 0 1 227.373 2.137 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCCSC2)n(C)n1 ZINC001257677733 971482962 /nfs/dbraw/zinc/48/29/62/971482962.db2.gz ILKVDJHGZAQVJE-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2cccc([S-])c2)C1 ZINC001226015157 1169599261 /nfs/dbraw/zinc/59/92/61/1169599261.db2.gz GRJCIAUCGLKRNW-LLVKDONJSA-N 0 1 223.341 2.448 20 0 BEADMN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000058845997 948939660 /nfs/dbraw/zinc/93/96/60/948939660.db2.gz ZGXJWYYFLPZNHI-UHFFFAOYSA-N 0 1 221.300 2.372 20 0 BEADMN CC(F)(F)CNC1CCC2(COC2)CC1 ZINC001257896450 971531786 /nfs/dbraw/zinc/53/17/86/971531786.db2.gz UXPZYZWFABSLCK-UHFFFAOYSA-N 0 1 219.275 2.190 20 0 BEADMN CCCOC1CN(C2CCC3(COC3)CC2)C1 ZINC001257908622 971537689 /nfs/dbraw/zinc/53/76/89/971537689.db2.gz PUQQBEXUEPQVKO-UHFFFAOYSA-N 0 1 239.359 2.056 20 0 BEADMN CN1CC2(C1)CN(c1nccc3ccsc31)C2 ZINC001158863505 971537881 /nfs/dbraw/zinc/53/78/81/971537881.db2.gz BNOIXWFQGNUWND-UHFFFAOYSA-N 0 1 245.351 2.048 20 0 BEADMN CCCO[C@H]1CCN(Cc2cccnc2)C1 ZINC001204075108 974209631 /nfs/dbraw/zinc/20/96/31/974209631.db2.gz AUHJYRUBCZDVHX-ZDUSSCGKSA-N 0 1 220.316 2.083 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCC(F)(F)F)C1 ZINC000123728698 949251995 /nfs/dbraw/zinc/25/19/95/949251995.db2.gz FNCUVLLJEGTAOW-VIFPVBQESA-N 0 1 239.237 2.126 20 0 BEADMN CCC[C@@H](CC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226974917 1169617149 /nfs/dbraw/zinc/61/71/49/1169617149.db2.gz STXSBZPFURKXTC-SECBINFHSA-N 0 1 247.298 2.276 20 0 BEADMN Cc1cc([S-])ccc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218237388 971645956 /nfs/dbraw/zinc/64/59/56/971645956.db2.gz VABZVFDBCIAJMK-SNVBAGLBSA-N 0 1 245.294 2.270 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3cocn3)C[C@@H]21 ZINC001170721786 971648197 /nfs/dbraw/zinc/64/81/97/971648197.db2.gz ZCJNFOBOTHTYIW-GUDFOSOFSA-N 0 1 206.289 2.199 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N[C@H]3CCSC3=O)C[C@@H]21 ZINC001170721733 971648618 /nfs/dbraw/zinc/64/86/18/971648618.db2.gz YSUFDEGMNXKBIF-JXUBOQSCSA-N 0 1 225.357 2.043 20 0 BEADMN CSC1(C[N@@H+](C)CCCC(=O)[O-])CCC1 ZINC000380004602 951177594 /nfs/dbraw/zinc/17/75/94/951177594.db2.gz KVYFAUOMWBJAGV-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN CCC1CCC(Oc2n[nH]c3c2CNCC3)CC1 ZINC001218354166 971724088 /nfs/dbraw/zinc/72/40/88/971724088.db2.gz QUCRXEBEYLYIGO-UHFFFAOYSA-N 0 1 249.358 2.403 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000390390975 951377775 /nfs/dbraw/zinc/37/77/75/951377775.db2.gz JIJLETQLUBMKGI-NSHDSACASA-N 0 1 245.388 2.315 20 0 BEADMN CCCC=Nc1nc(Cl)nc2c1COC2=O ZINC001170763445 971746964 /nfs/dbraw/zinc/74/69/64/971746964.db2.gz FTKUAKZAPQLCTA-ONEGZZNKSA-N 0 1 239.662 2.136 20 0 BEADMN Cc1ccncc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397499131 951565286 /nfs/dbraw/zinc/56/52/86/951565286.db2.gz QBQPAGRLLMDQDS-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+]([C@@H]2C=CCCC2)C1 ZINC000398856199 951615123 /nfs/dbraw/zinc/61/51/23/951615123.db2.gz OSBMBESYTLTHRU-GRYCIOLGSA-N 0 1 223.316 2.138 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC3CCC2CC3)CC1 ZINC000381646197 971768103 /nfs/dbraw/zinc/76/81/03/971768103.db2.gz QMJNMGVQMRDJQF-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN CCC=CNc1nc(C(=O)OC)ccc1F ZINC001170767556 971768870 /nfs/dbraw/zinc/76/88/70/971768870.db2.gz SCIYLLCVVKOXBE-QPJJXVBHSA-N 0 1 224.235 2.343 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC001229438761 1169660351 /nfs/dbraw/zinc/66/03/51/1169660351.db2.gz VIQVJEGCDMHUJH-IVZWLZJFSA-N 0 1 244.298 2.229 20 0 BEADMN CC1(C)C[C@@H](NCc2cccc(Cl)n2)CO1 ZINC001172271673 974487271 /nfs/dbraw/zinc/48/72/71/974487271.db2.gz OTIOKHDBIRRQAK-SNVBAGLBSA-N 0 1 240.734 2.392 20 0 BEADMN Nc1ncc(-c2ccc3cncn3c2)cc1F ZINC001245521506 971843421 /nfs/dbraw/zinc/84/34/21/971843421.db2.gz ZEVANHXYHVTCNE-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN CN1CCC12CN(Cc1cc3ccccc3[nH]1)C2 ZINC001276789924 971873792 /nfs/dbraw/zinc/87/37/92/971873792.db2.gz NCPMABMKCRJSBH-UHFFFAOYSA-N 0 1 241.338 2.058 20 0 BEADMN Cc1cc2nccn2cc1N[C@H]1CCOC[C@H]1C ZINC001170821913 971910968 /nfs/dbraw/zinc/91/09/68/971910968.db2.gz YZOJHQJOQVVFTO-NEPJUHHUSA-N 0 1 245.326 2.480 20 0 BEADMN CCCCOC1CN([C@@H]2CCCOCC2)C1 ZINC001170828273 971936111 /nfs/dbraw/zinc/93/61/11/971936111.db2.gz XWDYBUQUQPGAIJ-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1CC2(C1)CCCO2 ZINC001172329516 974593218 /nfs/dbraw/zinc/59/32/18/974593218.db2.gz HPZRBGGTEVLKIL-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1COCC[C@@H]1Nc1ccnc2c1ccn2C ZINC001170833133 971947399 /nfs/dbraw/zinc/94/73/99/971947399.db2.gz VPLAELZHZWPJJZ-PWSUYJOCSA-N 0 1 245.326 2.410 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)n1c(C)cnc1CN ZINC001172331914 974596367 /nfs/dbraw/zinc/59/63/67/974596367.db2.gz ZQMGFBHGTPDHLL-CMPLNLGQSA-N 0 1 239.363 2.416 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1C[C@H](F)[C@@H](OC)C1 ZINC001172339559 974605150 /nfs/dbraw/zinc/60/51/50/974605150.db2.gz OYDNUMJWVVUMGW-VOAKCMCISA-N 0 1 247.354 2.249 20 0 BEADMN CC[C@@](N)(CO)Nc1ncc(C)c2ccccc21 ZINC001170860733 971986919 /nfs/dbraw/zinc/98/69/19/971986919.db2.gz WSHHJCCQPJVLDF-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@](N)(CO)Nc1cc2ccc(C)cc2cn1 ZINC001170860912 971988372 /nfs/dbraw/zinc/98/83/72/971988372.db2.gz XKLZEQQHTBRZAS-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@](N)(CO)Nc1cc2ccc(C)cc2cn1 ZINC001170860911 971989137 /nfs/dbraw/zinc/98/91/37/971989137.db2.gz XKLZEQQHTBRZAS-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CCCCc1cccc(N[C@](N)(CC)CO)c1 ZINC001170866252 971996463 /nfs/dbraw/zinc/99/64/63/971996463.db2.gz QPMUTQMUKGYHMN-CQSZACIVSA-N 0 1 236.359 2.498 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1CCOC[C@H]1C ZINC001172340853 974609450 /nfs/dbraw/zinc/60/94/50/974609450.db2.gz RKWFAGAESSLDPQ-YNEHKIRRSA-N 0 1 229.364 2.301 20 0 BEADMN COc1cnc(F)cc1-c1nccc2[nH]cnc21 ZINC001239010247 1169705295 /nfs/dbraw/zinc/70/52/95/1169705295.db2.gz XMWCMWAMXAXXKF-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CC[C@@](N)(CO)Nc1cccc(C2CCC2)c1 ZINC001170865935 972005817 /nfs/dbraw/zinc/00/58/17/972005817.db2.gz LAYZJAJAMZUSKH-AWEZNQCLSA-N 0 1 234.343 2.423 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000711490584 955038261 /nfs/dbraw/zinc/03/82/61/955038261.db2.gz OBFJIAQPDMNTBO-LLVKDONJSA-N 0 1 237.274 2.176 20 0 BEADMN CC[C@@](N)(CO)Nc1nc2ccccc2cc1C ZINC001159743442 972093860 /nfs/dbraw/zinc/09/38/60/972093860.db2.gz FWJAHPMUWOMFID-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN OCc1cccc(-c2cc3[nH]cnc3cn2)c1 ZINC001241506454 1169724685 /nfs/dbraw/zinc/72/46/85/1169724685.db2.gz YWTKIXGOQOEVQX-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Fc1cccc2c1C[C@H](NCc1cocn1)CC2 ZINC001170955655 972153210 /nfs/dbraw/zinc/15/32/10/972153210.db2.gz NVLHQERAGSGKQB-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN CC(C)(C)/C=C/c1ncc2c(n1)CNCC2 ZINC001241561534 1169728637 /nfs/dbraw/zinc/72/86/37/1169728637.db2.gz QTRDKHQQGNMPNG-GQCTYLIASA-N 0 1 217.316 2.182 20 0 BEADMN Cc1cnnc(-c2cc(F)c(O)cc2F)c1 ZINC001206755567 956884886 /nfs/dbraw/zinc/88/48/86/956884886.db2.gz MUDXCPMBJBKFAK-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN C[C@@]1(F)CCN(CCCn2cccn2)C[C@@H]1F ZINC001208080170 956936312 /nfs/dbraw/zinc/93/63/12/956936312.db2.gz AWYWZDUGDZSBII-NWDGAFQWSA-N 0 1 243.301 2.045 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208162100 957045629 /nfs/dbraw/zinc/04/56/29/957045629.db2.gz PCOPPULYLZLEOM-STQMWFEESA-N 0 1 239.359 2.474 20 0 BEADMN c1ccc2c(c1)CCCN(Cc1cccnn1)C2 ZINC001139970842 957176338 /nfs/dbraw/zinc/17/63/38/957176338.db2.gz JRXZNOKRYCWYCP-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN Cc1nc(CN2CC[C@@H](O)[C@@H](C)CC2)cs1 ZINC001206799153 957180110 /nfs/dbraw/zinc/18/01/10/957180110.db2.gz OXRRQTNIVITMBT-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1occc1C(=O)[O-] ZINC000035432793 957212455 /nfs/dbraw/zinc/21/24/55/957212455.db2.gz UTMKYAOEJDEWHA-UHFFFAOYSA-N 0 1 234.255 2.346 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1(C)CCCCC1 ZINC001208897838 957222627 /nfs/dbraw/zinc/22/26/27/957222627.db2.gz GOBJOYVCDXMZQI-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(C)c(C)n2)no1 ZINC000315966403 972254514 /nfs/dbraw/zinc/25/45/14/972254514.db2.gz XURHLLALZFKBMV-SNVBAGLBSA-N 0 1 246.314 2.419 20 0 BEADMN COCCCN1CCc2ccc(C(C)=O)cc2C1 ZINC001209053897 957299619 /nfs/dbraw/zinc/29/96/19/957299619.db2.gz SAGMDIGTKJDOLJ-UHFFFAOYSA-N 0 1 247.338 2.284 20 0 BEADMN CCOC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035174348 957310557 /nfs/dbraw/zinc/31/05/57/957310557.db2.gz MVPBXSJJKIEXGS-NWDGAFQWSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000043459128 957432478 /nfs/dbraw/zinc/43/24/78/957432478.db2.gz QXTVYDBLNBOOST-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCc2cnc(C3CC3)nc2C1 ZINC001209427140 957449222 /nfs/dbraw/zinc/44/92/22/957449222.db2.gz OREIIXQURQZFNJ-ZWNOBZJWSA-N 0 1 243.354 2.368 20 0 BEADMN CSc1ncc2c(n1)CN(C[C@H]1C[C@@H]1C)CC2 ZINC001209433543 957467783 /nfs/dbraw/zinc/46/77/83/957467783.db2.gz UXNOPEBQZUXMCH-GXSJLCMTSA-N 0 1 249.383 2.213 20 0 BEADMN CN(Cc1cc(Cl)ccn1)CC1(C)COC1 ZINC000705779008 957477657 /nfs/dbraw/zinc/47/76/57/957477657.db2.gz GFTVWEHLVUIKQY-UHFFFAOYSA-N 0 1 240.734 2.203 20 0 BEADMN Cc1ncncc1Nc1ccc2nc[nH]c2c1 ZINC001209843314 957541734 /nfs/dbraw/zinc/54/17/34/957541734.db2.gz WFMYATHAEYVABL-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Nc1cc(F)cnc1Nc1ccc2nc[nH]c2c1 ZINC001209844841 957542090 /nfs/dbraw/zinc/54/20/90/957542090.db2.gz QMKOCVDETDTTBI-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN CC(C)NC(=O)c1ccc(CN2CCCC2)o1 ZINC000141099823 957546200 /nfs/dbraw/zinc/54/62/00/957546200.db2.gz VFEYBXICCSNBOT-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000060218849 957571355 /nfs/dbraw/zinc/57/13/55/957571355.db2.gz WOBNZQGNULTVNX-GFCCVEGCSA-N 0 1 219.284 2.298 20 0 BEADMN CSc1nccc(Nc2cnc(N)cc2C)n1 ZINC001209961140 957580784 /nfs/dbraw/zinc/58/07/84/957580784.db2.gz DBPLYJSNALVVES-UHFFFAOYSA-N 0 1 247.327 2.228 20 0 BEADMN CC1CC[NH+](Cc2ncc(C(=O)[O-])s2)CC1 ZINC000062201714 957600419 /nfs/dbraw/zinc/60/04/19/957600419.db2.gz NIVGSFLGRWEIMW-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN COCCN(C)Cc1cc(Cl)ccc1N ZINC000086549361 957634765 /nfs/dbraw/zinc/63/47/65/957634765.db2.gz NHKVGZXJKBDHMN-UHFFFAOYSA-N 0 1 228.723 2.000 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136866363 972280770 /nfs/dbraw/zinc/28/07/70/972280770.db2.gz SSCIWAKOSBXTDK-SECBINFHSA-N 0 1 229.274 2.277 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136866363 972280777 /nfs/dbraw/zinc/28/07/77/972280777.db2.gz SSCIWAKOSBXTDK-SECBINFHSA-N 0 1 229.274 2.277 20 0 BEADMN C[C@@H]1CCN(Cc2c[nH]cn2)CCC1(F)F ZINC001136866363 972280783 /nfs/dbraw/zinc/28/07/83/972280783.db2.gz SSCIWAKOSBXTDK-SECBINFHSA-N 0 1 229.274 2.277 20 0 BEADMN CCCCOC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000175802065 957641601 /nfs/dbraw/zinc/64/16/01/957641601.db2.gz VRBUZLVCBWITIK-STQMWFEESA-N 0 1 239.359 2.452 20 0 BEADMN c1ncc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)[nH]1 ZINC001136866500 972282156 /nfs/dbraw/zinc/28/21/56/972282156.db2.gz XOKIPPYIBRAIDR-QWRGUYRKSA-N 0 1 205.305 2.032 20 0 BEADMN CCCc1[nH+]ccn1Cc1cc(C(=O)[O-])oc1C ZINC000070423674 957671245 /nfs/dbraw/zinc/67/12/45/957671245.db2.gz WXWPPSWLRPSNQN-UHFFFAOYSA-N 0 1 248.282 2.484 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCCCCF ZINC000390446736 972285470 /nfs/dbraw/zinc/28/54/70/972285470.db2.gz SJJPTJXFXVWRQT-LLVKDONJSA-N 0 1 231.311 2.455 20 0 BEADMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1cccnc1 ZINC000071380418 957721831 /nfs/dbraw/zinc/72/18/31/957721831.db2.gz QDPKPFNFWQZMSY-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN C[N@H+](Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000077055642 957750122 /nfs/dbraw/zinc/75/01/22/957750122.db2.gz IRBIJTYCZAVNRK-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000077055642 957750127 /nfs/dbraw/zinc/75/01/27/957750127.db2.gz IRBIJTYCZAVNRK-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN Fc1cc2[nH]cnc2cc1NCc1cccnn1 ZINC001167330519 957778514 /nfs/dbraw/zinc/77/85/14/957778514.db2.gz NMBXLWVOOSVSAG-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC000083935165 957842762 /nfs/dbraw/zinc/84/27/62/957842762.db2.gz IRNXJCZNEGUXHA-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CN1CCC12CN(Cc1ccc(C3CC3)cc1)C2 ZINC001276819440 972296873 /nfs/dbraw/zinc/29/68/73/972296873.db2.gz RTPZQUCEEDBWRK-UHFFFAOYSA-N 0 1 242.366 2.454 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000084049578 957850326 /nfs/dbraw/zinc/85/03/26/957850326.db2.gz IFINDUMMVMIJLG-SZAMVBNTSA-N 0 1 211.305 2.138 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)nc2)C[C@@H]1C ZINC000824815146 972301136 /nfs/dbraw/zinc/30/11/36/972301136.db2.gz IVJHWKWTDRUPGJ-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@@H](C)C2(C)CC2)cc1 ZINC000706517779 957937674 /nfs/dbraw/zinc/93/76/74/957937674.db2.gz GBQXAPQGQSDHOW-WCQYABFASA-N 0 1 246.354 2.300 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)oc1C ZINC001204534876 957963688 /nfs/dbraw/zinc/96/36/88/957963688.db2.gz NBNMDHNOTVPFNT-LLVKDONJSA-N 0 1 209.289 2.117 20 0 BEADMN C=C(Nc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001210983543 957963971 /nfs/dbraw/zinc/96/39/71/957963971.db2.gz YODBLUZLHSAMOC-UHFFFAOYSA-N 0 1 239.278 2.263 20 0 BEADMN CCN1CC[C@@H](N[C@H]2CCCCC2(F)F)C1 ZINC000398008411 957967115 /nfs/dbraw/zinc/96/71/15/957967115.db2.gz BVCAKXPXYXIFQZ-MNOVXSKESA-N 0 1 232.318 2.248 20 0 BEADMN Clc1nccnc1Nc1nccs1 ZINC001210987292 957970628 /nfs/dbraw/zinc/97/06/28/957970628.db2.gz LOZLUCXQIPMYQH-UHFFFAOYSA-N 0 1 212.665 2.330 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000086807986 957993894 /nfs/dbraw/zinc/99/38/94/957993894.db2.gz VXZXZTCXPRWVEV-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN COCC1CN(Cc2c[nH]c3cccc(F)c23)C1 ZINC001136977297 972309393 /nfs/dbraw/zinc/30/93/93/972309393.db2.gz XAQXYUIEYPHYAX-UHFFFAOYSA-N 0 1 248.301 2.385 20 0 BEADMN C[C@H]1CCCN1C(=O)c1c2[nH]cnc2ccc1F ZINC001136972289 972309776 /nfs/dbraw/zinc/30/97/76/972309776.db2.gz HFVDGHGQEYISIX-QMMMGPOBSA-N 0 1 247.273 2.327 20 0 BEADMN Cn1cncc1Nc1cc(C(F)(F)F)no1 ZINC001211245449 958102743 /nfs/dbraw/zinc/10/27/43/958102743.db2.gz NOMRDVUETGHCDV-UHFFFAOYSA-N 0 1 232.165 2.171 20 0 BEADMN Cn1cncc1Nc1cc(C2CCC2)no1 ZINC001211245403 958104105 /nfs/dbraw/zinc/10/41/05/958104105.db2.gz NBXHMEASEHSNKI-UHFFFAOYSA-N 0 1 218.260 2.419 20 0 BEADMN Cc1cc(Nc2cncn2C)n(C(C)(C)C)n1 ZINC001211245738 958104234 /nfs/dbraw/zinc/10/42/34/958104234.db2.gz SARKNPCREWNUGD-UHFFFAOYSA-N 0 1 233.319 2.424 20 0 BEADMN CC(C)Cn1cnc(Nc2cncn2C)c1 ZINC001211247800 958109504 /nfs/dbraw/zinc/10/95/04/958109504.db2.gz FAIHSJXNVIYJTC-UHFFFAOYSA-N 0 1 219.292 2.016 20 0 BEADMN Cn1cncc1Nc1cnccc1OC(F)F ZINC001211248376 958114873 /nfs/dbraw/zinc/11/48/73/958114873.db2.gz LIJBAJPDVCOHNJ-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)ncn2C ZINC001211250194 958115797 /nfs/dbraw/zinc/11/57/97/958115797.db2.gz HSIMLGNIHDFPSA-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cn1cncc1Nc1ccccc1C(C)(C)O ZINC001211250187 958116206 /nfs/dbraw/zinc/11/62/06/958116206.db2.gz HKTOQWXMGGDAOS-UHFFFAOYSA-N 0 1 231.299 2.391 20 0 BEADMN COc1ncc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1C ZINC001137006322 972320805 /nfs/dbraw/zinc/32/08/05/972320805.db2.gz NECONBVDPHAXBR-BETUJISGSA-N 0 1 246.354 2.486 20 0 BEADMN Cn1cncc1-n1ccc2cc(N)c(F)cc21 ZINC001211254381 958120134 /nfs/dbraw/zinc/12/01/34/958120134.db2.gz VCOCDUMKXIJXRM-UHFFFAOYSA-N 0 1 230.246 2.085 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)N(C)CC2 ZINC001211254400 958120462 /nfs/dbraw/zinc/12/04/62/958120462.db2.gz VXIYIDLXXMRFIF-UHFFFAOYSA-N 0 1 228.299 2.156 20 0 BEADMN COc1cnccc1Nc1cccc(Cl)n1 ZINC001211258034 958127022 /nfs/dbraw/zinc/12/70/22/958127022.db2.gz UZLXFQUPUATELX-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN FC(F)(F)c1cnc(CN2CCCCC2)[nH]1 ZINC001137010622 972325876 /nfs/dbraw/zinc/32/58/76/972325876.db2.gz YDPAPTRVEDJICA-UHFFFAOYSA-N 0 1 233.237 2.414 20 0 BEADMN Fc1cc(Nc2nonc2C2CC2)cc(F)n1 ZINC001213079939 958211051 /nfs/dbraw/zinc/21/10/51/958211051.db2.gz FPNJFUQDJBKLSG-UHFFFAOYSA-N 0 1 238.197 2.364 20 0 BEADMN Cc1ncccc1CN1CCc2cnccc2C1 ZINC001207147277 958211654 /nfs/dbraw/zinc/21/16/54/958211654.db2.gz AIIZNMVMBJCLDO-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN C[C@H]1C[C@H](NCCOC2CCC2)c2nccn21 ZINC000690706115 958211705 /nfs/dbraw/zinc/21/17/05/958211705.db2.gz UROXKDTWVMKHNN-JQWIXIFHSA-N 0 1 235.331 2.048 20 0 BEADMN Cc1nccc(CN2CC(c3ccccc3)C2)n1 ZINC001207166339 958280017 /nfs/dbraw/zinc/28/00/17/958280017.db2.gz IWVPFAURBDBSTR-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137041047 972341313 /nfs/dbraw/zinc/34/13/13/972341313.db2.gz GWPVOCSAVSZARW-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137041047 972341317 /nfs/dbraw/zinc/34/13/17/972341317.db2.gz GWPVOCSAVSZARW-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2[nH]cnc2c1 ZINC001137041047 972341321 /nfs/dbraw/zinc/34/13/21/972341321.db2.gz GWPVOCSAVSZARW-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2nc[nH]c2c1 ZINC001137041047 972341326 /nfs/dbraw/zinc/34/13/26/972341326.db2.gz GWPVOCSAVSZARW-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000693429134 958407111 /nfs/dbraw/zinc/40/71/11/958407111.db2.gz QLJJLJWNZLJYIN-XVKPBYJWSA-N 0 1 245.244 2.228 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403322090 958472889 /nfs/dbraw/zinc/47/28/89/958472889.db2.gz LZAJJORNJIVQDH-ZETCQYMHSA-N 0 1 238.114 2.102 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3ccncc3)c(=O)c2C1 ZINC001330066534 972350813 /nfs/dbraw/zinc/35/08/13/972350813.db2.gz DBZDPVSNMSCOPG-CMPLNLGQSA-N 0 1 243.310 2.216 20 0 BEADMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1CCC1 ZINC000123647675 958507446 /nfs/dbraw/zinc/50/74/46/958507446.db2.gz MCBCJADTUAERSD-QMMMGPOBSA-N 0 1 220.272 2.380 20 0 BEADMN Cc1c(F)cc(F)cc1CN1C[C@@H](O)C[C@H]1C ZINC001143757995 972361100 /nfs/dbraw/zinc/36/11/00/972361100.db2.gz UEAXWAVFNXDUEC-PELKAZGASA-N 0 1 241.281 2.228 20 0 BEADMN Cc1c(F)cc(F)cc1CN1C[C@H](C)[C@H](O)C1 ZINC001143757809 972363373 /nfs/dbraw/zinc/36/33/73/972363373.db2.gz NWCXIYMSVFCGHU-ISVAXAHUSA-N 0 1 241.281 2.086 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000707919355 958815993 /nfs/dbraw/zinc/81/59/93/958815993.db2.gz VHXBQQMSVPNSDH-LLVKDONJSA-N 0 1 219.332 2.453 20 0 BEADMN CC[N@@H+](C)Cc1ccc(OC)c(F)c1F ZINC001143902991 972390516 /nfs/dbraw/zinc/39/05/16/972390516.db2.gz QKKRYUCZBCIVRR-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN CCN(C)Cc1ccc(OC)c(F)c1F ZINC001143902991 972390529 /nfs/dbraw/zinc/39/05/29/972390529.db2.gz QKKRYUCZBCIVRR-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN COC1CCN(Cc2ccc(O)cc2F)CC1 ZINC000404028377 959025158 /nfs/dbraw/zinc/02/51/58/959025158.db2.gz WBZXVLDOODTYSP-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN COCOc1ccccc1Nc1c(C)ncn1C ZINC001211559164 959114438 /nfs/dbraw/zinc/11/44/38/959114438.db2.gz WTHWKHIGMFAMLE-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN Cc1cccnc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000161049523 959164235 /nfs/dbraw/zinc/16/42/35/959164235.db2.gz GGJAGZPKOJJLAP-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CC(C)(F)F)n[nH]1 ZINC001327110379 972414650 /nfs/dbraw/zinc/41/46/50/972414650.db2.gz RJXYRRDXEQELFE-ZCFIWIBFSA-N 0 1 247.245 2.017 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC001327116317 972416149 /nfs/dbraw/zinc/41/61/49/972416149.db2.gz QJDRZCSIRZCHFC-DTWKUNHWSA-N 0 1 239.319 2.263 20 0 BEADMN CC[N@@H+]([C@H]1C=CCCC1)C(C)(C)C(=O)[O-] ZINC000167801493 959362325 /nfs/dbraw/zinc/36/23/25/959362325.db2.gz PJGDEABROAIKKD-JTQLQIEISA-N 0 1 211.305 2.280 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cncc2ccccc21 ZINC000168346362 959376390 /nfs/dbraw/zinc/37/63/90/959376390.db2.gz LQXQRGSBTOYCHO-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CCCO[C@H]1CCN(Cc2[nH]c(C)nc2C)C1 ZINC000724777828 959447153 /nfs/dbraw/zinc/44/71/53/959447153.db2.gz IZBZYRYJZXHIDD-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC12CCCC2 ZINC000693891759 959483027 /nfs/dbraw/zinc/48/30/27/959483027.db2.gz YDHGIUGVODLXNG-LLVKDONJSA-N 0 1 221.304 2.190 20 0 BEADMN CC(C)CCCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000205513876 959657754 /nfs/dbraw/zinc/65/77/54/959657754.db2.gz YQBAKZCUUJZYNA-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@H]1C(C)C ZINC000216652504 959766849 /nfs/dbraw/zinc/76/68/49/959766849.db2.gz DWSJMCAFPCQNNG-BRNRAETOSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086278 959799946 /nfs/dbraw/zinc/79/99/46/959799946.db2.gz ZELZOPHDVBIPTM-ZYHUDNBSSA-N 0 1 243.310 2.216 20 0 BEADMN C[C@H](C1CC1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455105 959876656 /nfs/dbraw/zinc/87/66/56/959876656.db2.gz OPFYWZFTJUHFJH-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN FC1(C2CC2)CN(Cc2c[nH]c3ccncc23)C1 ZINC001140801928 959887944 /nfs/dbraw/zinc/88/79/44/959887944.db2.gz KZIXPZALTIBDIU-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccn1 ZINC000228156314 959996048 /nfs/dbraw/zinc/99/60/48/959996048.db2.gz PRAXQBREFDSWIP-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN C[C@@]1(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CCCS1 ZINC000327905004 960077603 /nfs/dbraw/zinc/07/76/03/960077603.db2.gz PUAARQMXLBIIDY-RYUDHWBXSA-N 0 1 243.372 2.069 20 0 BEADMN Cc1ccnn1C1CCN(Cc2cnco2)CC1 ZINC001140933171 960105944 /nfs/dbraw/zinc/10/59/44/960105944.db2.gz NUVWTKTXBFMYEZ-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)CCN1CC(NC(=O)CC(C)(C)C)C1 ZINC001267636363 960150968 /nfs/dbraw/zinc/15/09/68/960150968.db2.gz BWCRSNVYYUOERJ-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)N(Cc1ncco1)C1CCOCC1 ZINC001141012493 960199359 /nfs/dbraw/zinc/19/93/59/960199359.db2.gz NPHGSMZUSAEOKE-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC(F)CC1 ZINC000689865193 960295250 /nfs/dbraw/zinc/29/52/50/960295250.db2.gz VBQBVOWHWOVLFE-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1cc(CN[C@@H](C)C2(Cl)CC2)on1 ZINC000695676348 960347350 /nfs/dbraw/zinc/34/73/50/960347350.db2.gz WRSQZRKMTPCZCX-QMMMGPOBSA-N 0 1 214.696 2.233 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)N[C@H](C)C(F)F ZINC000689790544 960371397 /nfs/dbraw/zinc/37/13/97/960371397.db2.gz DVEGGGUOYUYPSG-HLTSFMKQSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CN2CCCC23COC3)cc(C)c1O ZINC001140658790 960479927 /nfs/dbraw/zinc/47/99/27/960479927.db2.gz WNVNIJRJFILLIM-UHFFFAOYSA-N 0 1 247.338 2.374 20 0 BEADMN O=C1CCN(Cc2cc[nH]c2)[C@H]2CCCC[C@@H]12 ZINC001140704954 960509914 /nfs/dbraw/zinc/50/99/14/960509914.db2.gz QXBUJGGDMCPCIK-OLZOCXBDSA-N 0 1 232.327 2.348 20 0 BEADMN COc1cc(O)cc(OC)c1CN1CCCC1 ZINC001140769440 960560515 /nfs/dbraw/zinc/56/05/15/960560515.db2.gz HTNZDEZSJPFOMQ-UHFFFAOYSA-N 0 1 237.299 2.005 20 0 BEADMN COC(=O)c1ccsc1N=CCC(C)(C)O ZINC001203210141 960575907 /nfs/dbraw/zinc/57/59/07/960575907.db2.gz XWJGQEFGLSHGHH-AATRIKPKSA-N 0 1 241.312 2.231 20 0 BEADMN FC1(F)CN(Cc2c[nH]c3ccncc23)C1 ZINC001140799444 960582245 /nfs/dbraw/zinc/58/22/45/960582245.db2.gz DHHVENGWFHWRLB-UHFFFAOYSA-N 0 1 223.226 2.014 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CC(C)(C)C)n1 ZINC000120965167 960670206 /nfs/dbraw/zinc/67/02/06/960670206.db2.gz WOPVVYDNJDKZPU-UHFFFAOYSA-N 0 1 224.308 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)CC(C)(C)C)n[nH]1 ZINC000120965167 960670215 /nfs/dbraw/zinc/67/02/15/960670215.db2.gz WOPVVYDNJDKZPU-UHFFFAOYSA-N 0 1 224.308 2.303 20 0 BEADMN Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)n[nH]1 ZINC001203076215 960677508 /nfs/dbraw/zinc/67/75/08/960677508.db2.gz YQBRPBXGNAYDKZ-VIFPVBQESA-N 0 1 247.264 2.492 20 0 BEADMN COc1cccc(CC[N@@H+](C)Cc2cnco2)c1 ZINC001140932583 960711836 /nfs/dbraw/zinc/71/18/36/960711836.db2.gz TWOWHGFTNGMDST-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1cccc(CCN(C)Cc2cnco2)c1 ZINC001140932583 960711841 /nfs/dbraw/zinc/71/18/41/960711841.db2.gz TWOWHGFTNGMDST-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN Cc1nccnc1CN1CC2(C1)CCCC2 ZINC001140934775 960719039 /nfs/dbraw/zinc/71/90/39/960719039.db2.gz XNBQVDMUGJLYDL-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN CCCC(=O)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001144039731 972530650 /nfs/dbraw/zinc/53/06/50/972530650.db2.gz CVSSPOJPDVOCNC-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN Cc1cc(CN2CCc3c(F)cccc3C2)n[nH]1 ZINC001203082677 960770878 /nfs/dbraw/zinc/77/08/78/960770878.db2.gz WTVRRQPJRNTZSM-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN c1coc(CN2CC[C@H]3CCC[C@@H]3C2)n1 ZINC001141004744 960805741 /nfs/dbraw/zinc/80/57/41/960805741.db2.gz LOQIJHCHJFBVIO-GHMZBOCLSA-N 0 1 206.289 2.297 20 0 BEADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@H]2C[C@H]21 ZINC001141018121 960815567 /nfs/dbraw/zinc/81/55/67/960815567.db2.gz IXUZFEPREYUKAE-IONNQARKSA-N 0 1 245.248 2.413 20 0 BEADMN Cc1ncoc1CN1CC2(C1)CCCC2 ZINC001141051546 960839844 /nfs/dbraw/zinc/83/98/44/960839844.db2.gz FNUDBHPEDYSZPW-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCCCc1ncc(CN2CCOCC23CC3)[nH]1 ZINC001141071286 960859833 /nfs/dbraw/zinc/85/98/33/960859833.db2.gz IOZYBWZSOBRINB-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1ncc(CN2CCCCO2)[nH]1 ZINC001141067571 960863452 /nfs/dbraw/zinc/86/34/52/960863452.db2.gz HULZKLPSCIOAIA-UHFFFAOYSA-N 0 1 223.320 2.280 20 0 BEADMN CCCN(Cc1cocn1)C1CCOCC1 ZINC001141132292 960885690 /nfs/dbraw/zinc/88/56/90/960885690.db2.gz ILVIIZPLTAKHLG-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN Cc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)c(F)c1 ZINC001141196873 960942441 /nfs/dbraw/zinc/94/24/41/960942441.db2.gz WMHDBDGPGLYKSB-GXTWGEPZSA-N 0 1 235.302 2.355 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cn1 ZINC001203107020 961016443 /nfs/dbraw/zinc/01/64/43/961016443.db2.gz ZXCHJMNHSKDZBM-KGLIPLIRSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cn1 ZINC001203107021 961019499 /nfs/dbraw/zinc/01/94/99/961019499.db2.gz ZXCHJMNHSKDZBM-UONOGXRCSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cn1 ZINC001203107019 961019803 /nfs/dbraw/zinc/01/98/03/961019803.db2.gz ZXCHJMNHSKDZBM-KBPBESRZSA-N 0 1 231.343 2.407 20 0 BEADMN CN(C)c1cccc(CN2CCCC23COC3)c1 ZINC001141266380 961036712 /nfs/dbraw/zinc/03/67/12/961036712.db2.gz OALICBYKGAIHBE-UHFFFAOYSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@H]1CCN(c2cc(C(=O)[O-])cc[nH+]2)C[C@H]1C ZINC000253076675 961298127 /nfs/dbraw/zinc/29/81/27/961298127.db2.gz RLQJFUCJKMNZMQ-VHSXEESVSA-N 0 1 234.299 2.262 20 0 BEADMN C[N@@H+](CC1CCCC1)C(C)(C)CC(=O)[O-] ZINC000260275196 961378622 /nfs/dbraw/zinc/37/86/22/961378622.db2.gz XPSPNHPMUGLASM-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCOCCNc1cn2ccnc2cc1C ZINC001167873284 961388695 /nfs/dbraw/zinc/38/86/95/961388695.db2.gz KRSUTOLZWGGZDB-UHFFFAOYSA-N 0 1 233.315 2.481 20 0 BEADMN CCOC(=O)CN(C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC1 ZINC001207632906 961425976 /nfs/dbraw/zinc/42/59/76/961425976.db2.gz VKBZMWMKJQMXMO-XQQFMLRXSA-N 0 1 249.354 2.226 20 0 BEADMN COC/C(C)=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC001142428269 961441729 /nfs/dbraw/zinc/44/17/29/961441729.db2.gz ITVOVSWOVISPBL-UITAMQMPSA-N 0 1 245.282 2.094 20 0 BEADMN Cn1cc2c(cccc2CN2CC[C@@H](F)C2)n1 ZINC001142445323 961442400 /nfs/dbraw/zinc/44/24/00/961442400.db2.gz VAPVEVSRNBJEJT-LLVKDONJSA-N 0 1 233.290 2.117 20 0 BEADMN CCN(CC)Cc1cnc(Cl)nc1NC ZINC001142473881 961444970 /nfs/dbraw/zinc/44/49/70/961444970.db2.gz YCKHYBKXQVWAJU-UHFFFAOYSA-N 0 1 228.727 2.014 20 0 BEADMN Clc1nccnc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167895458 961515558 /nfs/dbraw/zinc/51/55/58/961515558.db2.gz UCRBMOJCBXLGQT-AYMMMOKOSA-N 0 1 223.707 2.018 20 0 BEADMN CC(C)/C=C/C(=O)N(C(=N)N)c1ccccc1F ZINC001142664148 961567557 /nfs/dbraw/zinc/56/75/57/961567557.db2.gz DLDBBOGCWAPXEQ-BQYQJAHWSA-N 0 1 249.289 2.264 20 0 BEADMN FC1(F)CCN(Cc2cccc3nc[nH]c32)C1 ZINC001142673073 961581402 /nfs/dbraw/zinc/58/14/02/961581402.db2.gz XYXHHLZTHRVSIU-UHFFFAOYSA-N 0 1 237.253 2.404 20 0 BEADMN CC(=O)CCC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001142744204 961695580 /nfs/dbraw/zinc/69/55/80/961695580.db2.gz GTJCKPLIQXMDEA-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1ccnc(N)n1 ZINC000087836944 961758634 /nfs/dbraw/zinc/75/86/34/961758634.db2.gz PMIBHKYHKCJEMI-DTWKUNHWSA-N 0 1 208.309 2.295 20 0 BEADMN c1cn2cccc(CN3CC4(CCC4)C3)c2n1 ZINC001142948781 961851101 /nfs/dbraw/zinc/85/11/01/961851101.db2.gz UFIKHJMYSGMUQP-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN C[C@@H]1CCN(Cc2cccc3nonc32)C[C@H]1F ZINC001203128873 961863964 /nfs/dbraw/zinc/86/39/64/961863964.db2.gz WXRYZTCEQDHQEO-MWLCHTKSSA-N 0 1 249.289 2.403 20 0 BEADMN Cc1nc[nH]c1C(=O)N(C)c1ccc(C)cc1 ZINC001143106802 961880177 /nfs/dbraw/zinc/88/01/77/961880177.db2.gz QWQSAXNEUHTQCJ-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN CC(C)Oc1cccc(F)c1-n1cncc1N ZINC001211775562 961888727 /nfs/dbraw/zinc/88/87/27/961888727.db2.gz QZLCGIPYIAYYLK-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN COc1cc(C)cc(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC001143149241 961892327 /nfs/dbraw/zinc/89/23/27/961892327.db2.gz CAEQMGHEINBYEJ-ZDUSSCGKSA-N 0 1 249.354 2.472 20 0 BEADMN COc1ccc(F)cc1NCc1cn[nH]c1C ZINC000092846345 961894981 /nfs/dbraw/zinc/89/49/81/961894981.db2.gz LVFJHXJLHFVEJO-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CCN(Cc1cc(C)cc(OC)c1)C1CN(C)C1 ZINC001143160252 961896856 /nfs/dbraw/zinc/89/68/56/961896856.db2.gz MQFSRWCNQLVARB-UHFFFAOYSA-N 0 1 248.370 2.140 20 0 BEADMN COc1cc(C)cc(CN2CC[C@@]23CCOC3)c1 ZINC001143164149 961897771 /nfs/dbraw/zinc/89/77/71/961897771.db2.gz WBHJUKJHLJSTFP-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN CN(CC(=O)OC(C)(C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167927054 962016276 /nfs/dbraw/zinc/01/62/76/962016276.db2.gz KYDVYLLBNZZDRL-URLYPYJESA-N 0 1 225.332 2.058 20 0 BEADMN Cc1csc(CN2CCCC[C@](C)(O)C2)n1 ZINC001204374968 962098004 /nfs/dbraw/zinc/09/80/04/962098004.db2.gz WPWFMPAPBNTXSD-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN O=C(c1cnc[nH]1)N1Cc2ccc(Cl)cc2C1 ZINC001299170935 962289296 /nfs/dbraw/zinc/28/92/96/962289296.db2.gz CXSGIGSKRNRERJ-UHFFFAOYSA-N 0 1 247.685 2.219 20 0 BEADMN O=C(Nc1ccc[nH]1)c1cc2cccnc2[nH]1 ZINC001151539993 962308454 /nfs/dbraw/zinc/30/84/54/962308454.db2.gz ZGDSLWUKHZNFSY-UHFFFAOYSA-N 0 1 226.239 2.143 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccc(F)cn1 ZINC000131858424 962325292 /nfs/dbraw/zinc/32/52/92/962325292.db2.gz SOLFOCGNSVQREK-UHFFFAOYSA-N 0 1 248.261 2.149 20 0 BEADMN CCON(CC)C(=O)c1ccc(Cl)c(O)c1 ZINC001152141267 962390170 /nfs/dbraw/zinc/39/01/70/962390170.db2.gz ALVXZXYKNOGGOV-UHFFFAOYSA-N 0 1 243.690 2.459 20 0 BEADMN CC1CC(N(C)C(=O)c2ccc3cncn3c2)C1 ZINC001152196403 962399733 /nfs/dbraw/zinc/39/97/33/962399733.db2.gz IAKGQEAYURUPJO-UHFFFAOYSA-N 0 1 243.310 2.205 20 0 BEADMN C[N@H+](Cc1ccc(O)cn1)CC1CCCC1 ZINC000132733920 962476529 /nfs/dbraw/zinc/47/65/29/962476529.db2.gz GESKQWYMGXWKQR-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000132776529 962485188 /nfs/dbraw/zinc/48/51/88/962485188.db2.gz FFHOMWVQHBHOOA-PHIMTYICSA-N 0 1 218.300 2.019 20 0 BEADMN CCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001269196859 962518288 /nfs/dbraw/zinc/51/82/88/962518288.db2.gz ZBAOEBQYONCIMR-LBPRGKRZSA-N 0 1 249.358 2.009 20 0 BEADMN C[C@H]1N(C[C@H](O)c2ccccc2)CCOC1(C)C ZINC000687962023 962581624 /nfs/dbraw/zinc/58/16/24/962581624.db2.gz LSRAPHGEJHPBGW-OCCSQVGLSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1nc2cccc(C(=O)Nc3ccc[nH]3)c2[nH]1 ZINC001153604400 962608817 /nfs/dbraw/zinc/60/88/17/962608817.db2.gz OHTSCRNVQNZHEW-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CN(Cc1nccs1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950967 962656590 /nfs/dbraw/zinc/65/65/90/962656590.db2.gz FNWLBRJSRZWDLH-MYJAWHEDSA-N 0 1 208.330 2.373 20 0 BEADMN CCC(=O)N(C)C1CN(C[C@@H](C)CC(C)C)C1 ZINC001269744971 962778656 /nfs/dbraw/zinc/77/86/56/962778656.db2.gz JKPAWDMQZRHBNT-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1ccc(NC[C@H](O)c2ccco2)nc1C ZINC001154875160 962879750 /nfs/dbraw/zinc/87/97/50/962879750.db2.gz JBJILCBNJVSZCQ-NSHDSACASA-N 0 1 232.283 2.437 20 0 BEADMN COc1ccnc(N[C@H]2CC[C@](C)(O)CC2)c1 ZINC001154950783 962917800 /nfs/dbraw/zinc/91/78/00/962917800.db2.gz QSWDXCROPJWCAW-MJHDQNEOSA-N 0 1 236.315 2.196 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1ncc2c(n1)CNC2 ZINC001155071694 962962859 /nfs/dbraw/zinc/96/28/59/962962859.db2.gz CIAOHXWKYORVKC-GHMZBOCLSA-N 0 1 246.358 2.318 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300139205 962985905 /nfs/dbraw/zinc/98/59/05/962985905.db2.gz LFNNAPAJTXYLMI-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN C[N@H+]1CC[C@@H](Oc2cccc([S-])c2)C1 ZINC001226017190 962985788 /nfs/dbraw/zinc/98/57/88/962985788.db2.gz XKFSYAXNYFIZNO-SNVBAGLBSA-N 0 1 209.314 2.058 20 0 BEADMN CC(C)(C)C(=N)Nc1cc2c(cn1)NC(=O)C2 ZINC001155175713 963002335 /nfs/dbraw/zinc/00/23/35/963002335.db2.gz IAXFMLKXKBEKSL-UHFFFAOYSA-N 0 1 232.287 2.011 20 0 BEADMN Oc1ccc(F)c(O[C@H]2CN3CCC2CC3)c1 ZINC001226125818 963057320 /nfs/dbraw/zinc/05/73/20/963057320.db2.gz FDMSGQZFVZNWPX-ZDUSSCGKSA-N 0 1 237.274 2.004 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)C2CCCC2)n1 ZINC001226157677 963076806 /nfs/dbraw/zinc/07/68/06/963076806.db2.gz CWFCYQOOHGEZDD-VIFPVBQESA-N 0 1 222.288 2.448 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928452515 963134038 /nfs/dbraw/zinc/13/40/38/963134038.db2.gz IDHXUYLUKVUKGX-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN O=c1ccnc(O[C@H]2CCc3ccccc3C2)[nH]1 ZINC001226326992 963153344 /nfs/dbraw/zinc/15/33/44/963153344.db2.gz PFRJBLXSKFOXLQ-LBPRGKRZSA-N 0 1 242.278 2.119 20 0 BEADMN Cc1cccnc1[C@H](NCC1=NOCC1)C(C)C ZINC001167995968 963188108 /nfs/dbraw/zinc/18/81/08/963188108.db2.gz AQEDRPACRSRQIQ-CYBMUJFWSA-N 0 1 247.342 2.453 20 0 BEADMN CC[C@@H](Nc1nccnc1CN)c1ccccc1 ZINC001354217637 963346717 /nfs/dbraw/zinc/34/67/17/963346717.db2.gz WSPCZAQHUQZNNF-GFCCVEGCSA-N 0 1 242.326 2.499 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCC(=O)[O-] ZINC000309684692 963364147 /nfs/dbraw/zinc/36/41/47/963364147.db2.gz NWPNZCHOMBORRB-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1ncccc1F ZINC001156509032 963376102 /nfs/dbraw/zinc/37/61/02/963376102.db2.gz GULVXGVGTOKHQY-CLFYSBASSA-N 0 1 238.262 2.488 20 0 BEADMN CCc1ccc(C)nc1N[C@@H](C)CCO ZINC000895330003 963411558 /nfs/dbraw/zinc/41/15/58/963411558.db2.gz NSRNWWNCELDWBH-JTQLQIEISA-N 0 1 208.305 2.135 20 0 BEADMN Cc1ccc(N[C@@](C)(C(N)=O)C(C)C)nc1C ZINC001156647797 963424815 /nfs/dbraw/zinc/42/48/15/963424815.db2.gz KFGCMBIJGPPFFV-CYBMUJFWSA-N 0 1 235.331 2.010 20 0 BEADMN C[C@H]1CN(Cc2cscn2)CCC[C@]1(C)O ZINC001137591345 963434210 /nfs/dbraw/zinc/43/42/10/963434210.db2.gz LWVIMFVOCVHRRK-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CCN(Cc2cscn2)CC[C@]1(C)O ZINC001137591378 963436495 /nfs/dbraw/zinc/43/64/95/963436495.db2.gz OHXFZXOBJHKNEA-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN Clc1cc2nc[nH]c2nc1N1CC2CC(C2)C1 ZINC001156892700 963484350 /nfs/dbraw/zinc/48/43/50/963484350.db2.gz QZKRMJKZPQZQKP-UHFFFAOYSA-N 0 1 248.717 2.458 20 0 BEADMN CCN1CC[C@H](Oc2cc(Cl)sn2)C1 ZINC001227377495 963510281 /nfs/dbraw/zinc/51/02/81/963510281.db2.gz GXUPEKNEHBGDSM-ZETCQYMHSA-N 0 1 232.736 2.270 20 0 BEADMN Cc1ccc(NC2(CO)CCCC2)nc1C ZINC001157004355 963514887 /nfs/dbraw/zinc/51/48/87/963514887.db2.gz ULIGTHXKLQNKHU-UHFFFAOYSA-N 0 1 220.316 2.415 20 0 BEADMN Cc1ccc(N(C)Cc2ccno2)nc1C ZINC001157349294 963579229 /nfs/dbraw/zinc/57/92/29/963579229.db2.gz ZMDFIWRARPNOJD-UHFFFAOYSA-N 0 1 217.272 2.323 20 0 BEADMN COc1ccnc(NCCOC(F)(F)F)c1 ZINC001157385187 963588728 /nfs/dbraw/zinc/58/87/28/963588728.db2.gz CUXUUEWSFLAUGL-UHFFFAOYSA-N 0 1 236.193 2.039 20 0 BEADMN O=C(CCCF)Nc1ccc2cncn2c1 ZINC001157396568 963595106 /nfs/dbraw/zinc/59/51/06/963595106.db2.gz PJRDZSALDPZECD-UHFFFAOYSA-N 0 1 221.235 2.023 20 0 BEADMN CC(C)Oc1ccnc(N[C@H]2C[C@@H](CO)C2)c1 ZINC001157460798 963620285 /nfs/dbraw/zinc/62/02/85/963620285.db2.gz TYIFKBUKBXDKRD-PHIMTYICSA-N 0 1 236.315 2.052 20 0 BEADMN C[C@@H]1C[C@@H](NC2(c3ccccc3)COC2)CCO1 ZINC001168080381 963623145 /nfs/dbraw/zinc/62/31/45/963623145.db2.gz UXXYMHZARVHUML-OCCSQVGLSA-N 0 1 247.338 2.069 20 0 BEADMN CC(C)N1CC(Nc2ccc3ncccc3n2)C1 ZINC001157530416 963642477 /nfs/dbraw/zinc/64/24/77/963642477.db2.gz CIIVWSAELNJWOR-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN Cc1ccc(NC[C@H]2C[C@@](C)(O)C2)nc1C ZINC001157553649 963659050 /nfs/dbraw/zinc/65/90/50/963659050.db2.gz DCJIILZYGMUKBH-BJHJDKERSA-N 0 1 220.316 2.271 20 0 BEADMN Cc1cnc(NCc2ccn(C)c(=O)c2)cc1C ZINC001157617167 963679876 /nfs/dbraw/zinc/67/98/76/963679876.db2.gz OCLSFOGXNRUPSR-UHFFFAOYSA-N 0 1 243.310 2.009 20 0 BEADMN CC(C)=CCC[C@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228389120 963771594 /nfs/dbraw/zinc/77/15/94/963771594.db2.gz RKQLSZMIAANKFA-VIFPVBQESA-N 0 1 238.287 2.402 20 0 BEADMN Cc1cccc([C@H](C)Oc2nc(O)cc(=O)[nH]2)c1 ZINC001228387943 963771962 /nfs/dbraw/zinc/77/19/62/963771962.db2.gz DHZQPFNYLGFOPI-VIFPVBQESA-N 0 1 246.266 2.336 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2cnc3nc[nH]c3c2)o1 ZINC001256636838 1169829991 /nfs/dbraw/zinc/82/99/91/1169829991.db2.gz ZJWALEVHCBEEMC-SVRRBLITSA-N 0 1 241.254 2.131 20 0 BEADMN CC1(C)OCC(Nc2ccc3c(n2)CCC3)CO1 ZINC001158063021 963800814 /nfs/dbraw/zinc/80/08/14/963800814.db2.gz LBHSGNJNOOJFKH-UHFFFAOYSA-N 0 1 248.326 2.134 20 0 BEADMN CCCCOC1CN([C@@H]2CCO[C@H](C)C2)C1 ZINC001168128413 963807648 /nfs/dbraw/zinc/80/76/48/963807648.db2.gz PXTPQTLIUWJJBV-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN CCCNc1ncc(C(=O)OC)c2c1ccn2C ZINC001168130386 963811521 /nfs/dbraw/zinc/81/15/21/963811521.db2.gz BBESCKJBYAGJHF-UHFFFAOYSA-N 0 1 247.298 2.182 20 0 BEADMN CCN1CCC[C@@H](Oc2ccc(F)nc2F)C1 ZINC001228533999 963847755 /nfs/dbraw/zinc/84/77/55/963847755.db2.gz FDMMYHVLLLUSNZ-SECBINFHSA-N 0 1 242.269 2.223 20 0 BEADMN COc1cc(CCNc2cc(C)ccn2)ccn1 ZINC001158337868 963849053 /nfs/dbraw/zinc/84/90/53/963849053.db2.gz DLFCLSAVTGFPBV-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN COc1cncc(CCNc2cc(C)ccn2)c1 ZINC001158377700 963858013 /nfs/dbraw/zinc/85/80/13/963858013.db2.gz RVYSKQZBYPOVOD-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN CC(=O)[C@@H]1CCCN1c1nc(C)cc2[nH]ccc21 ZINC001158839018 963941090 /nfs/dbraw/zinc/94/10/90/963941090.db2.gz JFYISLLHGVGQFN-ZDUSSCGKSA-N 0 1 243.310 2.429 20 0 BEADMN Cc1cnc(N(C)CC(F)F)cc1C ZINC001158933473 963959932 /nfs/dbraw/zinc/95/99/32/963959932.db2.gz AMBNITNEIKDWHZ-UHFFFAOYSA-N 0 1 200.232 2.400 20 0 BEADMN Cc1cnc(CN)n1C1CCC(C)CC1 ZINC001168199856 963963015 /nfs/dbraw/zinc/96/30/15/963963015.db2.gz XJSCZJKVQAJTBM-UHFFFAOYSA-N 0 1 207.321 2.401 20 0 BEADMN CC1CCC(N[C@H]2CCSC2=O)CC1 ZINC001168201381 963969657 /nfs/dbraw/zinc/96/96/57/963969657.db2.gz SKCQOOFBTBEVST-RTBKNWGFSA-N 0 1 213.346 2.187 20 0 BEADMN Cc1cnc(Cl)c(N=CCC(C)(C)O)n1 ZINC001203213686 963971877 /nfs/dbraw/zinc/97/18/77/963971877.db2.gz BIGZCLRUFDELSP-SNAWJCMRSA-N 0 1 227.695 2.135 20 0 BEADMN CCN(C)c1cc(C)nc(N2C3CCC2CC3)n1 ZINC001159079437 963992299 /nfs/dbraw/zinc/99/22/99/963992299.db2.gz KLNZHSJROHKOOW-UHFFFAOYSA-N 0 1 246.358 2.372 20 0 BEADMN CC1CCC(N2Cc3cnn(C)c3C2)CC1 ZINC001168220144 963997682 /nfs/dbraw/zinc/99/76/82/963997682.db2.gz RYDGCAHWPJPSCA-UHFFFAOYSA-N 0 1 219.332 2.314 20 0 BEADMN CC1CCC(N2CCc3cnn(C)c3C2)CC1 ZINC001168221622 963998882 /nfs/dbraw/zinc/99/88/82/963998882.db2.gz IBGZLWZDKOFMQU-UHFFFAOYSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1nccc(NC[C@H]2C[C@H](F)C2)c1F ZINC001168238536 964030566 /nfs/dbraw/zinc/03/05/66/964030566.db2.gz ILUMIOFGEIITSQ-KYZUINATSA-N 0 1 212.243 2.111 20 0 BEADMN Cc1cc2cc[nH]c2c(N[C@H]2C[C@@H](CO)C2)n1 ZINC001168239742 964041394 /nfs/dbraw/zinc/04/13/94/964041394.db2.gz NTTSQDKLMFZKPK-JGZJWPJOSA-N 0 1 231.299 2.054 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)cc1N ZINC001214182269 964145576 /nfs/dbraw/zinc/14/55/76/964145576.db2.gz JQLBCZIDRXFNDH-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCOC[C@@H]1C1CC1 ZINC001256751515 1169837849 /nfs/dbraw/zinc/83/78/49/1169837849.db2.gz YDMVLESUQIJJMU-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN Cc1ccc(NCC[C@@H](C)CO)nc1C ZINC001160602077 964344632 /nfs/dbraw/zinc/34/46/32/964344632.db2.gz CSUNNCIEPZWQNH-SECBINFHSA-N 0 1 208.305 2.129 20 0 BEADMN Cc1cnc(NCC[C@@H](C)CO)c(C)c1 ZINC001160602999 964349807 /nfs/dbraw/zinc/34/98/07/964349807.db2.gz AGDSTOTXULLNKL-SECBINFHSA-N 0 1 208.305 2.129 20 0 BEADMN FC1(F)[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 ZINC001168308373 964405170 /nfs/dbraw/zinc/40/51/70/964405170.db2.gz GYYHTZRSLYSTHK-MNOVXSKESA-N 0 1 224.254 2.169 20 0 BEADMN Cc1cc2cc(NC3CN(C(C)C)C3)ncc2[nH]1 ZINC001168312593 964413847 /nfs/dbraw/zinc/41/38/47/964413847.db2.gz BMQCUQQJNVASIW-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CC(C)N1CC(Nc2ccc3ncsc3n2)C1 ZINC001168312557 964416234 /nfs/dbraw/zinc/41/62/34/964416234.db2.gz AJMGPPKWGPBWOL-UHFFFAOYSA-N 0 1 248.355 2.196 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1NCc2ccccc21 ZINC001160858482 964422895 /nfs/dbraw/zinc/42/28/95/964422895.db2.gz FRMHDVFIGZOMMS-CQSZACIVSA-N 0 1 246.354 2.480 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H](N)c2ccccc2)C2(CC2)C1 ZINC001160964122 964459309 /nfs/dbraw/zinc/45/93/09/964459309.db2.gz ONHCGEFGUPPGBI-YPMHNXCESA-N 0 1 244.338 2.087 20 0 BEADMN CC(C)=CCCn1cc(CNC(C)C)nn1 ZINC000697772106 964518310 /nfs/dbraw/zinc/51/83/10/964518310.db2.gz QDHPEOALZIPCHU-UHFFFAOYSA-N 0 1 222.336 2.132 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697813199 964538217 /nfs/dbraw/zinc/53/82/17/964538217.db2.gz YSUGCUBXWVVXPD-RNJOBUHISA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)c1ccc(CCC(=O)N2CCNC2)cc1 ZINC001161417022 964595495 /nfs/dbraw/zinc/59/54/95/964595495.db2.gz PIXVVLXTUOHNAE-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1ccnc(NCCCn2ccnc2)c1C ZINC001161682175 964683713 /nfs/dbraw/zinc/68/37/13/964683713.db2.gz IWYIFOZBIFFKEY-UHFFFAOYSA-N 0 1 230.315 2.397 20 0 BEADMN COC(=O)c1ccc(CN2CCC3(CC3)C2)o1 ZINC001142611611 964684220 /nfs/dbraw/zinc/68/42/20/964684220.db2.gz HTCKPTDXOCEEID-UHFFFAOYSA-N 0 1 235.283 2.052 20 0 BEADMN Cc1ccc(NCCc2cnoc2)nc1C ZINC001161699651 964693438 /nfs/dbraw/zinc/69/34/38/964693438.db2.gz YPRVCTXUNRRHCG-UHFFFAOYSA-N 0 1 217.272 2.341 20 0 BEADMN CC(C)[C@H](CO)Nc1ccnc2c1ccn2C ZINC001161744705 964730296 /nfs/dbraw/zinc/73/02/96/964730296.db2.gz LHNRWHVHJOLXCR-LBPRGKRZSA-N 0 1 233.315 2.002 20 0 BEADMN Cc1ccc(CNc2cccc3[nH]nnc32)o1 ZINC001161769740 964746442 /nfs/dbraw/zinc/74/64/42/964746442.db2.gz YXVZJZDQXXZVHP-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1ccc(C)c(NCc2nccn2C)n1 ZINC001161910019 964814247 /nfs/dbraw/zinc/81/42/47/964814247.db2.gz ISMXELXJCFVUFQ-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN CC1(C)CC[C@H](CNc2ccnc(N)n2)C1 ZINC001162122586 964848128 /nfs/dbraw/zinc/84/81/28/964848128.db2.gz DVJRIBHLGAUKBG-VIFPVBQESA-N 0 1 220.320 2.297 20 0 BEADMN Cc1ncc(CNc2ccc3nc[nH]c3n2)s1 ZINC001162154610 964858399 /nfs/dbraw/zinc/85/83/99/964858399.db2.gz INLDZYSPTATMAS-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN COc1cc(C)cnc1NC1CN(C(C)(C)C)C1 ZINC001162225188 964878475 /nfs/dbraw/zinc/87/84/75/964878475.db2.gz DPDQWRUWRBMIKH-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN CC(C)c1cncnc1NC1CN(C(C)(C)C)C1 ZINC001162221050 964879159 /nfs/dbraw/zinc/87/91/59/964879159.db2.gz GAUSCBSANOLMCL-UHFFFAOYSA-N 0 1 248.374 2.495 20 0 BEADMN CC(C)(C)N1CC(Nc2ccc(Cl)nn2)C1 ZINC001162220369 964881174 /nfs/dbraw/zinc/88/11/74/964881174.db2.gz QMVJTOFDIUMXBJ-UHFFFAOYSA-N 0 1 240.738 2.025 20 0 BEADMN CCOc1ccc(NC2CN(C(C)(C)C)C2)nc1 ZINC001162221864 964881236 /nfs/dbraw/zinc/88/12/36/964881236.db2.gz VKVJZZQIDITXMU-UHFFFAOYSA-N 0 1 249.358 2.375 20 0 BEADMN Cc1cc(NC2CC2)nc(NCC(C)(F)F)n1 ZINC001162226682 964882706 /nfs/dbraw/zinc/88/27/06/964882706.db2.gz XVMRYTVGNOQAFT-UHFFFAOYSA-N 0 1 242.273 2.426 20 0 BEADMN CCCc1ccnc(NC2CN(C(C)(C)C)C2)n1 ZINC001162226488 964882783 /nfs/dbraw/zinc/88/27/83/964882783.db2.gz TYLHDEZUODQTDB-UHFFFAOYSA-N 0 1 248.374 2.324 20 0 BEADMN CC(F)(F)CNc1cccn2cncc12 ZINC001162233086 964886771 /nfs/dbraw/zinc/88/67/71/964886771.db2.gz OFHGEFLQMFSKBM-UHFFFAOYSA-N 0 1 211.215 2.401 20 0 BEADMN Cc1cnc(CCNc2nc(C)ccc2C)nc1 ZINC001162238498 964888963 /nfs/dbraw/zinc/88/89/63/964888963.db2.gz BEDMCMFRPSQJBZ-UHFFFAOYSA-N 0 1 242.326 2.451 20 0 BEADMN CC(C)(C)Oc1ccnc(NCc2ncon2)c1 ZINC001162287569 964912771 /nfs/dbraw/zinc/91/27/71/964912771.db2.gz ZPDCUZYKWNLDAH-UHFFFAOYSA-N 0 1 248.286 2.254 20 0 BEADMN Cc1ccc(N[C@@H]2CCOC[C@@H]2F)nc1C ZINC001162344472 964939037 /nfs/dbraw/zinc/93/90/37/964939037.db2.gz PSJYVJDHBNAVNZ-WDEREUQCSA-N 0 1 224.279 2.237 20 0 BEADMN Cc1nc2cncc(N[C@@H](CO)CC(C)C)c2[nH]1 ZINC001162372604 964946914 /nfs/dbraw/zinc/94/69/14/964946914.db2.gz NBZVOJGPVXWIMY-SNVBAGLBSA-N 0 1 248.330 2.085 20 0 BEADMN Cc1ccc(C)c(CN(C)CC[S@](C)=O)c1 ZINC000829227090 965040170 /nfs/dbraw/zinc/04/01/70/965040170.db2.gz FYUSEHPSCCQXNE-INIZCTEOSA-N 0 1 239.384 2.114 20 0 BEADMN Cc1nsc(N=c2cc[nH]cc2Cl)n1 ZINC001212144262 965071192 /nfs/dbraw/zinc/07/11/92/965071192.db2.gz MEFKYZNFXHIQLF-UHFFFAOYSA-N 0 1 226.692 2.060 20 0 BEADMN Cc1cnccc1CNc1ccc2nc[nH]c2n1 ZINC001162716649 965139412 /nfs/dbraw/zinc/13/94/12/965139412.db2.gz TUQLQBLPYYKXCE-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1[nH+]c(N[C@@H]2C=CCC2)ccc1C(=O)[O-] ZINC000698263847 965152742 /nfs/dbraw/zinc/15/27/42/965152742.db2.gz CYSGHXIRPXSWDX-SECBINFHSA-N 0 1 218.256 2.219 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@@H]2C=CCC2)n1 ZINC000698285169 965178450 /nfs/dbraw/zinc/17/84/50/965178450.db2.gz SXOLXRHZFPLEJA-ZCFIWIBFSA-N 0 1 235.678 2.137 20 0 BEADMN CCSCC[C@H](C)NCc1nnc(C)s1 ZINC000698297126 965188522 /nfs/dbraw/zinc/18/85/22/965188522.db2.gz HVNXYIVEPZYUKC-QMMMGPOBSA-N 0 1 245.417 2.468 20 0 BEADMN Cc1ccc(O)c(CN2C[C@H](F)C[C@H]2C)n1 ZINC001231669046 965279775 /nfs/dbraw/zinc/27/97/75/965279775.db2.gz ATCQXZSNTKBKDU-NXEZZACHSA-N 0 1 224.279 2.028 20 0 BEADMN COc1ccnc(CN2CCC[C@H](F)CC2)c1 ZINC001231966448 965292302 /nfs/dbraw/zinc/29/23/02/965292302.db2.gz GBFQAMDDVGMYHM-NSHDSACASA-N 0 1 238.306 2.414 20 0 BEADMN c1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)sn1 ZINC001232189176 965311449 /nfs/dbraw/zinc/31/14/49/965311449.db2.gz DMAMRYDBTHBCET-PWSUYJOCSA-N 0 1 238.356 2.144 20 0 BEADMN Cc1ccnc(N[C@@H]2CNCc3ccsc32)n1 ZINC001163229674 965312714 /nfs/dbraw/zinc/31/27/14/965312714.db2.gz QPSDOYPWTAUSKO-SNVBAGLBSA-N 0 1 246.339 2.103 20 0 BEADMN Cc1ncc(CN2CCCC(F)(F)[C@H](F)C2)[nH]1 ZINC001232461183 965356849 /nfs/dbraw/zinc/35/68/49/965356849.db2.gz YICQBIVUSLSTKI-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN COC1(C)CCN(Cc2cc(F)ccn2)CC1 ZINC001232491412 965370676 /nfs/dbraw/zinc/37/06/76/965370676.db2.gz ZTHNRXVGPYBIPG-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001483653268 965381027 /nfs/dbraw/zinc/38/10/27/965381027.db2.gz NVCOHCHRZXFCGJ-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NC(=O)CN1CCC(C)CC1)C1(C)CC1 ZINC001120727158 965402160 /nfs/dbraw/zinc/40/21/60/965402160.db2.gz IJLATVACKDHUPN-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCOc1ccnc(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC001163478532 965415547 /nfs/dbraw/zinc/41/55/47/965415547.db2.gz GVCFKHJHJAORFA-JQWIXIFHSA-N 0 1 236.315 2.460 20 0 BEADMN COc1cc2cnc(N3CCC3)cc2cc1OC ZINC001163539369 965438009 /nfs/dbraw/zinc/43/80/09/965438009.db2.gz VTFORLSSVLSWPQ-UHFFFAOYSA-N 0 1 244.294 2.462 20 0 BEADMN COC1(C)CN([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168429359 965474427 /nfs/dbraw/zinc/47/44/27/965474427.db2.gz VLNHAKXHBCQELR-AWEZNQCLSA-N 0 1 249.329 2.404 20 0 BEADMN O=C1NC(=O)[C@@H](Nc2ccc3ccoc3c2)S1 ZINC001163671987 965497456 /nfs/dbraw/zinc/49/74/56/965497456.db2.gz JFAXHHKMAAHVHN-JTQLQIEISA-N 0 1 248.263 2.154 20 0 BEADMN c1cnc(N2CCCCO2)c(CN2CCCC2)c1 ZINC001163932862 965644987 /nfs/dbraw/zinc/64/49/87/965644987.db2.gz VPUVZBNNJYRPBJ-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CC1(Nc2ccc3c(n2)NCCO3)CCC1 ZINC001164031600 965705339 /nfs/dbraw/zinc/70/53/39/965705339.db2.gz HVFKAKFBSSLQHP-UHFFFAOYSA-N 0 1 219.288 2.240 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000699064916 965775568 /nfs/dbraw/zinc/77/55/68/965775568.db2.gz SOFJPCKFJNYAEC-AEJSXWLSSA-N 0 1 221.304 2.239 20 0 BEADMN Cc1cnc(N2CCC[C@H](O)[C@@H](C)C2)cc1C ZINC001164227943 965804955 /nfs/dbraw/zinc/80/49/55/965804955.db2.gz HRTJBHYIQPPHEH-STQMWFEESA-N 0 1 234.343 2.296 20 0 BEADMN CCOc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000032104349 965857000 /nfs/dbraw/zinc/85/70/00/965857000.db2.gz QRCISVQNWUUMSX-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC1(F)CN(c2cc(Cl)nc3[nH]cnc32)C1 ZINC001164586161 965929017 /nfs/dbraw/zinc/92/90/17/965929017.db2.gz XDSRTYUGAFQYEW-UHFFFAOYSA-N 0 1 240.669 2.160 20 0 BEADMN COc1cccnc1N1CCN(C(C)C)[C@H](C)C1 ZINC001165199266 965981585 /nfs/dbraw/zinc/98/15/85/965981585.db2.gz MWBRTIOGLIMYQY-GFCCVEGCSA-N 0 1 249.358 2.009 20 0 BEADMN Cc1cc(C)nc(N(C)[C@H]2CC[C@H](O)CC2)c1 ZINC001165225942 965991106 /nfs/dbraw/zinc/99/11/06/965991106.db2.gz GYXUBMMAUWUVMB-JOCQHMNTSA-N 0 1 234.343 2.438 20 0 BEADMN Cc1cnc(N2CC[C@]3(CCOC3)C2)cc1C ZINC001165254404 966013075 /nfs/dbraw/zinc/01/30/75/966013075.db2.gz IQIUXQOWFJBGDH-AWEZNQCLSA-N 0 1 232.327 2.315 20 0 BEADMN COc1ccnc(N2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001165335805 966062544 /nfs/dbraw/zinc/06/25/44/966062544.db2.gz VUVWGXKPKBIAJX-YPMHNXCESA-N 0 1 248.326 2.096 20 0 BEADMN ClC1(Cl)C[C@@H]1CSCc1c[nH]nn1 ZINC001165555812 966129106 /nfs/dbraw/zinc/12/91/06/966129106.db2.gz WITOHLWKEXFRLP-RXMQYKEDSA-N 0 1 238.143 2.232 20 0 BEADMN Oc1cc(Cl)cc(-c2ncnc3c2CNC3)c1 ZINC001235899036 966145133 /nfs/dbraw/zinc/14/51/33/966145133.db2.gz ASXZZZSXICVZJP-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN O=C([O-])c1ccoc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382979664 966293439 /nfs/dbraw/zinc/29/34/39/966293439.db2.gz SWIIXJKKJNSSIU-PHIMTYICSA-N 0 1 247.294 2.376 20 0 BEADMN Cc1cccc2nc(NC(=O)C(F)(F)F)[nH]c21 ZINC001142764065 966298261 /nfs/dbraw/zinc/29/82/61/966298261.db2.gz GVZRDOOTMVMXHM-UHFFFAOYSA-N 0 1 243.188 2.372 20 0 BEADMN Cc1nc2ccc(Nc3ccncn3)cc2[nH]1 ZINC001213070147 966446500 /nfs/dbraw/zinc/44/65/00/966446500.db2.gz AETQXYYJPIMFNQ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CC(C)Oc1ccc(F)c(-n2cncc2N)c1 ZINC001212308186 966480480 /nfs/dbraw/zinc/48/04/80/966480480.db2.gz MBFFAFQEMITDJY-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(F)c(N)c1 ZINC001212328327 966488097 /nfs/dbraw/zinc/48/80/97/966488097.db2.gz XEZZZJZSZZTCHM-UHFFFAOYSA-N 0 1 242.257 2.329 20 0 BEADMN Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001166969726 966494811 /nfs/dbraw/zinc/49/48/11/966494811.db2.gz RXNCBXHQTRWQSM-RYUDHWBXSA-N 0 1 220.316 2.312 20 0 BEADMN CCC(=O)N1CCC[C@H]1CN(C)C[C@H](F)CC ZINC001485045113 966533954 /nfs/dbraw/zinc/53/39/54/966533954.db2.gz MCNCVZQSOLZYFM-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN CCC(=O)NC[C@H]1c2ccccc2CCN1CC ZINC001485004806 966534503 /nfs/dbraw/zinc/53/45/03/966534503.db2.gz MRAXWBBKMBYSKY-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN CCC(=O)N1CCC[C@H]1CN(C)C/C=C\Cl ZINC001485046534 966536903 /nfs/dbraw/zinc/53/69/03/966536903.db2.gz KBHCOODKDYRFMF-XOIDGJRKSA-N 0 1 244.766 2.072 20 0 BEADMN COc1ccccc1[C@@H](C)N(C)Cc1c[nH]nn1 ZINC001203206503 966552616 /nfs/dbraw/zinc/55/26/16/966552616.db2.gz BHHQXXLBAPTRKA-SNVBAGLBSA-N 0 1 246.314 2.006 20 0 BEADMN c1[nH]nnc1CN(Cc1ccccc1)C1CCC1 ZINC001203212967 966558379 /nfs/dbraw/zinc/55/83/79/966558379.db2.gz ZZLUNEIWCCHDQK-UHFFFAOYSA-N 0 1 242.326 2.359 20 0 BEADMN CCc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)on1 ZINC001203226239 966569015 /nfs/dbraw/zinc/56/90/15/966569015.db2.gz JGTUIHZWJJVZKH-GFCCVEGCSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1cc(CN2CC[C@@H](OC)C[C@H]2C)on1 ZINC001203232147 966569660 /nfs/dbraw/zinc/56/96/60/966569660.db2.gz PULAMJPPDXMRKM-ZYHUDNBSSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1nc(C)c(CN2CCC(CF)CC2)[nH]1 ZINC001203244107 966578389 /nfs/dbraw/zinc/57/83/89/966578389.db2.gz RCKJVWMOQRGTGA-UHFFFAOYSA-N 0 1 239.338 2.462 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@]3(CCO3)C2)[nH]1 ZINC001203246164 966578721 /nfs/dbraw/zinc/57/87/21/966578721.db2.gz DOACDGFNIZGDBE-AWEZNQCLSA-N 0 1 249.358 2.035 20 0 BEADMN C/C=C(\C)C(=O)NC[C@H](C)N(C)C[C@H](F)CC ZINC001485290070 966582514 /nfs/dbraw/zinc/58/25/14/966582514.db2.gz RLGIUVQAACNOKB-RBWIOGKGSA-N 0 1 244.354 2.137 20 0 BEADMN CNc1ccc(Nc2c(C)ncn2C)c(F)n1 ZINC001203355921 966606986 /nfs/dbraw/zinc/60/69/86/966606986.db2.gz SRXVPSWPEOEMLN-UHFFFAOYSA-N 0 1 235.266 2.048 20 0 BEADMN COc1ccccc1C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001203438819 966650370 /nfs/dbraw/zinc/65/03/70/966650370.db2.gz RCTJKXOQURXPIL-LBPRGKRZSA-N 0 1 233.311 2.106 20 0 BEADMN Cc1ccccc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001203700405 966737197 /nfs/dbraw/zinc/73/71/97/966737197.db2.gz WUPVIWXMARYFNH-TZMCWYRMSA-N 0 1 237.318 2.147 20 0 BEADMN Cc1ccccc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001203700403 966740428 /nfs/dbraw/zinc/74/04/28/966740428.db2.gz WUPVIWXMARYFNH-OCCSQVGLSA-N 0 1 237.318 2.147 20 0 BEADMN COC(=O)C1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001203743377 966766125 /nfs/dbraw/zinc/76/61/25/966766125.db2.gz PYVSUMJZHRSEKC-UHFFFAOYSA-N 0 1 247.338 2.217 20 0 BEADMN Fc1cccc(CN2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001203790315 966779411 /nfs/dbraw/zinc/77/94/11/966779411.db2.gz SGYJMWZHOYGDKY-WCQYABFASA-N 0 1 221.275 2.046 20 0 BEADMN Fc1cccc(CN2CCc3nccn3CC2)c1 ZINC001203790335 966781464 /nfs/dbraw/zinc/78/14/64/966781464.db2.gz VBEYGRUAHLCLES-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CCN(Cc1cccc(Cl)c1)C1CN(C)C1 ZINC001203802163 966786453 /nfs/dbraw/zinc/78/64/53/966786453.db2.gz HMUVYDHXWZHPPJ-UHFFFAOYSA-N 0 1 238.762 2.476 20 0 BEADMN Oc1cccc(CN2CC(c3cccnc3)C2)c1 ZINC001203863808 966801362 /nfs/dbraw/zinc/80/13/62/966801362.db2.gz MNEVOWLGTAAPBP-UHFFFAOYSA-N 0 1 240.306 2.387 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccnc2[nH]ccc21 ZINC001142878982 966824841 /nfs/dbraw/zinc/82/48/41/966824841.db2.gz CLHJYMMXDUQSDJ-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN FC1(F)CC2(C1)CCN(Cc1ncc[nH]1)CC2 ZINC001203977929 966835444 /nfs/dbraw/zinc/83/54/44/966835444.db2.gz RFVYPRFKEDCXSV-UHFFFAOYSA-N 0 1 241.285 2.421 20 0 BEADMN FC1CC2(C1)CCN(Cc1ncc[nH]1)CC2 ZINC001203977483 966835660 /nfs/dbraw/zinc/83/56/60/966835660.db2.gz MCUKEFJBMWMEMJ-UHFFFAOYSA-N 0 1 223.295 2.124 20 0 BEADMN Cc1ccsc1CN1CCc2c(cnn2C)C1 ZINC001204023135 966858917 /nfs/dbraw/zinc/85/89/17/966858917.db2.gz CPZZRTUJCLETCE-UHFFFAOYSA-N 0 1 247.367 2.348 20 0 BEADMN O=c1[nH]ccc2c1CCN(Cc1ccsc1)C2 ZINC001204042632 966863565 /nfs/dbraw/zinc/86/35/65/966863565.db2.gz JDBJAGIGHBSFAS-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN C[C@H]1CN(Cc2ccc3c(c2)OCO3)CCCO1 ZINC001204051700 966871369 /nfs/dbraw/zinc/87/13/69/966871369.db2.gz URQFEJMHENWAAX-NSHDSACASA-N 0 1 249.310 2.026 20 0 BEADMN Cc1cccc(CN2CC(c3cccnc3)C2)n1 ZINC001204068025 966874600 /nfs/dbraw/zinc/87/46/00/966874600.db2.gz PZMAEIVRNYEWLG-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN CC(C)(C)[C@H](CO)Nc1cccn2cncc12 ZINC001168562463 966881095 /nfs/dbraw/zinc/88/10/95/966881095.db2.gz OSONUMHFXMVTEG-LBPRGKRZSA-N 0 1 233.315 2.153 20 0 BEADMN c1cncc(CN2CCc3ncccc3C2)c1 ZINC001204075548 966882409 /nfs/dbraw/zinc/88/24/09/966882409.db2.gz YYTHJMFCCQQTMH-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN Oc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC001204100998 966893504 /nfs/dbraw/zinc/89/35/04/966893504.db2.gz SNZGUAFLOKSSOG-LLVKDONJSA-N 0 1 209.264 2.326 20 0 BEADMN COc1ccc(-c2nc(F)nc3nc[nH]c32)cc1 ZINC001239482158 966901391 /nfs/dbraw/zinc/90/13/91/966901391.db2.gz MTHVUXRLNUOXET-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCOc1cc(CN2CC=CC2)ccc1OC ZINC001204184474 966916607 /nfs/dbraw/zinc/91/66/07/966916607.db2.gz IVBKQNAOHYBAGC-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN CC(=O)[C@H](C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC001205234031 966923864 /nfs/dbraw/zinc/92/38/64/966923864.db2.gz UYCQVEBCADAKND-ZFWWWQNUSA-N 0 1 247.338 2.255 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2cc(F)cc(F)c2)C1 ZINC001204227566 966930861 /nfs/dbraw/zinc/93/08/61/966930861.db2.gz LLNOLIFEEKTJPQ-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN COc1ncc(-c2cc3[nH]cnc3cn2)cc1F ZINC001239499693 966936156 /nfs/dbraw/zinc/93/61/56/966936156.db2.gz HKRAVPSVHUMLHF-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COC(=O)C[C@@H]1CCCN(Cc2ccoc2)C1 ZINC001204243672 966941307 /nfs/dbraw/zinc/94/13/07/966941307.db2.gz FEHFZRDAZCBGMI-NSHDSACASA-N 0 1 237.299 2.055 20 0 BEADMN COc1ncc(-c2cncc3nc[nH]c32)cc1F ZINC001239513197 966958793 /nfs/dbraw/zinc/95/87/93/966958793.db2.gz WOTCPCMYAJCLHF-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CN(Cc1cn(C)c2ccccc12)C1(C)COC1 ZINC001204325164 966970066 /nfs/dbraw/zinc/97/00/66/966970066.db2.gz OSZUOHZLKIOFLA-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN COC(=O)CC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001204354067 966971898 /nfs/dbraw/zinc/97/18/98/966971898.db2.gz AEHUFZBFBFLRKA-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN CCc1ccc(CN2CC[C@H](C(C)=O)C2)o1 ZINC001204395069 966992758 /nfs/dbraw/zinc/99/27/58/966992758.db2.gz YWLPNENSBDAHHK-NSHDSACASA-N 0 1 221.300 2.253 20 0 BEADMN COC[C@@H]1CCN1Cc1cccc(F)c1C ZINC001204511983 967018502 /nfs/dbraw/zinc/01/85/02/967018502.db2.gz AXYZFTBFFWABAM-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN COC(=O)CC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001204525520 967023477 /nfs/dbraw/zinc/02/34/77/967023477.db2.gz FHBBAOGDUJWRRV-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@](C)(CO)C2)oc1C ZINC001204535908 967033048 /nfs/dbraw/zinc/03/30/48/967033048.db2.gz AMMIAWMEXYCPRX-CYBMUJFWSA-N 0 1 223.316 2.101 20 0 BEADMN Cc1cc(C[N@@H+](C)CCc2noc(C)n2)oc1C ZINC001204535913 967036564 /nfs/dbraw/zinc/03/65/64/967036564.db2.gz AOADLPQGBZXQOS-UHFFFAOYSA-N 0 1 249.314 2.262 20 0 BEADMN Cc1cc(CN(C)CCc2noc(C)n2)oc1C ZINC001204535913 967036575 /nfs/dbraw/zinc/03/65/75/967036575.db2.gz AOADLPQGBZXQOS-UHFFFAOYSA-N 0 1 249.314 2.262 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cc(C)c(C)o2)C1 ZINC001204539957 967044100 /nfs/dbraw/zinc/04/41/00/967044100.db2.gz UQWOVHKTTDWFFI-NSHDSACASA-N 0 1 223.316 2.363 20 0 BEADMN Cc1nc[nH]c1CN1CCC[C@H]1c1ccncc1 ZINC001204589018 967081023 /nfs/dbraw/zinc/08/10/23/967081023.db2.gz QCCLWMJCGSGXBQ-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1nc[nH]c1CN1CC2(C1)CCCCC2 ZINC001204593335 967087561 /nfs/dbraw/zinc/08/75/61/967087561.db2.gz WGSPHDBLICVJMC-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN COC(C)(C)CN(C)Cc1cn(C2CC2)cn1 ZINC001204633968 967108745 /nfs/dbraw/zinc/10/87/45/967108745.db2.gz ZMIHXTRTDLAWKV-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1oncc1CC(=O)c1ccccc1 ZINC001249885209 967127923 /nfs/dbraw/zinc/12/79/23/967127923.db2.gz QTTCGVSFWOBXKD-UHFFFAOYSA-N 0 1 201.225 2.408 20 0 BEADMN Nc1nonc1Nc1ccc(-c2ncco2)cc1 ZINC001249924198 967168148 /nfs/dbraw/zinc/16/81/48/967168148.db2.gz ACDVQJQBOIZAGM-UHFFFAOYSA-N 0 1 243.226 2.050 20 0 BEADMN Cc1ncn(-c2ccc(-c3ncco3)cc2)c1N ZINC001249928758 967172948 /nfs/dbraw/zinc/17/29/48/967172948.db2.gz JENWFLSUICHIIU-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN CCOCCc1ccc(N2CCN(C)CC2)cc1 ZINC001249940147 967180512 /nfs/dbraw/zinc/18/05/12/967180512.db2.gz SARGNXVCWAFGDF-UHFFFAOYSA-N 0 1 248.370 2.017 20 0 BEADMN Cc1cc2cc(Nc3ccncc3)cnc2[nH]1 ZINC001204892202 967218948 /nfs/dbraw/zinc/21/89/48/967218948.db2.gz ZDAQXNMGHXTEKW-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN Cc1ccc(-c2cnc(CN)nc2)cc1F ZINC001239824363 967220032 /nfs/dbraw/zinc/22/00/32/967220032.db2.gz YVEUBGWNLDNWTJ-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN Cc1cc2cc(Nc3cncn3C)cnc2[nH]1 ZINC001204903481 967223724 /nfs/dbraw/zinc/22/37/24/967223724.db2.gz CSTKGKUCIJIARE-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN c1nc2cnc(-c3ccc4nonc4c3)cc2[nH]1 ZINC001204918158 967233779 /nfs/dbraw/zinc/23/37/79/967233779.db2.gz KLHSNZVEUDJGGF-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1cn2ccc(Nc3nonc3C3CC3)cc2n1 ZINC001204966162 967266129 /nfs/dbraw/zinc/26/61/29/967266129.db2.gz OVSKLVAEKKRCAF-UHFFFAOYSA-N 0 1 241.254 2.338 20 0 BEADMN COCCOCc1ccc(Cl)c(O)c1F ZINC001250005734 967268381 /nfs/dbraw/zinc/26/83/81/967268381.db2.gz SVEWUTBVORZACW-UHFFFAOYSA-N 0 1 234.654 2.348 20 0 BEADMN Cc1noc(C)c1CC1=CCCN(C)C1 ZINC001250067712 967334429 /nfs/dbraw/zinc/33/44/29/967334429.db2.gz UMPMMXOFZKJYAE-UHFFFAOYSA-N 0 1 206.289 2.096 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1cnc(CN)nc1 ZINC001168688028 967354429 /nfs/dbraw/zinc/35/44/29/967354429.db2.gz AANJWLMXZRYXNK-NXEZZACHSA-N 0 1 222.336 2.172 20 0 BEADMN Nc1cncn1-c1c(F)ccc(Cl)c1F ZINC001250090098 967355956 /nfs/dbraw/zinc/35/59/56/967355956.db2.gz FWXFZXTXBNUWEO-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN Fc1cc(C[C@@H]2CCCO2)cc2[nH]ncc21 ZINC001250103364 967376097 /nfs/dbraw/zinc/37/60/97/967376097.db2.gz CYCYVFHVNSWENB-VIFPVBQESA-N 0 1 220.247 2.424 20 0 BEADMN Cc1cc(CN2CC[C@H](F)[C@@H](O)C2)ccc1F ZINC001205161560 967404985 /nfs/dbraw/zinc/40/49/85/967404985.db2.gz GDVOUVQUJWYECC-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN COc1ncc(Cl)cc1CCN1CCCC1 ZINC001250166932 967467031 /nfs/dbraw/zinc/46/70/31/967467031.db2.gz VSIQAZPQAXJCRZ-UHFFFAOYSA-N 0 1 240.734 2.382 20 0 BEADMN c1cc2c(cccc2CN2C[C@@H]3C[C@H]2CO3)[nH]1 ZINC001205289672 967483967 /nfs/dbraw/zinc/48/39/67/967483967.db2.gz CJWUPKKSGICDMZ-RYUDHWBXSA-N 0 1 228.295 2.141 20 0 BEADMN CC1(C)OC[C@@H](Cc2ccc3nc[nH]c3c2)O1 ZINC001250187063 967501451 /nfs/dbraw/zinc/50/14/51/967501451.db2.gz ULBDMOOVPHTGOC-SNVBAGLBSA-N 0 1 232.283 2.257 20 0 BEADMN CC(C)C[C@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000042585514 967521289 /nfs/dbraw/zinc/52/12/89/967521289.db2.gz CQHGNMRXJXSCAL-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Cc1ncccc1-n1c(N)nc2ccccc21 ZINC001205338780 967555307 /nfs/dbraw/zinc/55/53/07/967555307.db2.gz RINKHSRITBBLQD-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCc1ccc([C@@H]2CC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000077366200 967560879 /nfs/dbraw/zinc/56/08/79/967560879.db2.gz NLLRNXKLHRZLIG-CYBMUJFWSA-N 0 1 233.311 2.123 20 0 BEADMN Cc1ncccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001205351304 967567798 /nfs/dbraw/zinc/56/77/98/967567798.db2.gz DHQPQASZJJHFSD-UHFFFAOYSA-N 0 1 236.662 2.283 20 0 BEADMN Cc1ccncc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000163206907 967610035 /nfs/dbraw/zinc/61/00/35/967610035.db2.gz MGHCATYYJROJGN-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN FC1(F)CC=C(CCN2CCOCC2)CC1 ZINC001250278092 967610862 /nfs/dbraw/zinc/61/08/62/967610862.db2.gz UFRVYUSGHNYURO-UHFFFAOYSA-N 0 1 231.286 2.454 20 0 BEADMN Cc1cc2[nH]ncc2cc1CC(=O)N1CCCC1 ZINC001250292213 967627896 /nfs/dbraw/zinc/62/78/96/967627896.db2.gz CDBWWUHQIMLMCH-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN COCCCc1ccc2c(c1)n[nH]c2C ZINC001250299824 967639651 /nfs/dbraw/zinc/63/96/51/967639651.db2.gz DKGXUUWPZQFGPT-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN CC(=O)N1CC=C(CC(=O)c2cccs2)CC1 ZINC001250305423 967648697 /nfs/dbraw/zinc/64/86/97/967648697.db2.gz VFURMOIQWGERMK-UHFFFAOYSA-N 0 1 249.335 2.500 20 0 BEADMN CCn1cc(CN2CCC[C@@H](C(F)F)C2)cn1 ZINC001205538237 967680623 /nfs/dbraw/zinc/68/06/23/967680623.db2.gz GQWBHYJPBMAIPG-LLVKDONJSA-N 0 1 243.301 2.380 20 0 BEADMN COc1ccc(Nc2ccc3cncn3c2)cn1 ZINC001250322517 967702816 /nfs/dbraw/zinc/70/28/16/967702816.db2.gz BTWOEQIZXIVMAX-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN Fc1cncc(F)c1Nc1ccc2cncn2c1 ZINC001250322563 967703610 /nfs/dbraw/zinc/70/36/10/967703610.db2.gz DTADRKRLRVJQTI-UHFFFAOYSA-N 0 1 246.220 2.173 20 0 BEADMN COc1ncccc1Nc1ccc2cncn2c1 ZINC001250323432 967703639 /nfs/dbraw/zinc/70/36/39/967703639.db2.gz YEWFTFJDXOHHGC-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN Nc1cn(-c2ccc3cncn3c2)c2cccnc12 ZINC001250327322 967710937 /nfs/dbraw/zinc/71/09/37/967710937.db2.gz QDFIYJAXFZTVAQ-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Cc1nnc(Cc2cc(F)c(O)c(Cl)c2)o1 ZINC001250337735 967727576 /nfs/dbraw/zinc/72/75/76/967727576.db2.gz KBYYEPSWDMMJEI-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN Cc1noc(Cc2ccc3c(c2)n[nH]c3C)n1 ZINC001250355864 967754990 /nfs/dbraw/zinc/75/49/90/967754990.db2.gz IMSYQHSOZHXFDB-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1nc2ccc(NCC(C)(F)F)nc2[nH]1 ZINC001162234382 967767409 /nfs/dbraw/zinc/76/74/09/967767409.db2.gz SSMWFBPGFZKYGD-UHFFFAOYSA-N 0 1 226.230 2.333 20 0 BEADMN c1nocc1CN1CC[C@@H](c2ccccn2)C1 ZINC001205697538 967786027 /nfs/dbraw/zinc/78/60/27/967786027.db2.gz YDFQQAFBEUWIEC-GFCCVEGCSA-N 0 1 229.283 2.059 20 0 BEADMN Cc1ncn(C)c1Nc1cnc2c(ccn2C)c1 ZINC001205705739 967795355 /nfs/dbraw/zinc/79/53/55/967795355.db2.gz LUQWOTFSBZGCRL-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN Cc1cccnc1CN1CC2(C1)CCCOC2 ZINC001205769725 967817456 /nfs/dbraw/zinc/81/74/56/967817456.db2.gz GLMWZAVXGSDLDV-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CCOc1ccc2nc(CCC(=O)OC)[nH]c2c1 ZINC001250429036 967846674 /nfs/dbraw/zinc/84/66/74/967846674.db2.gz ZZZICXJFUZMCKT-UHFFFAOYSA-N 0 1 248.282 2.067 20 0 BEADMN CCOc1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC001250431305 967848167 /nfs/dbraw/zinc/84/81/67/967848167.db2.gz ATIHIIMXERCZPQ-VIFPVBQESA-N 0 1 232.283 2.466 20 0 BEADMN Cc1cc2nc([C@H]3CCC(=O)N3)[nH]c2cc1Cl ZINC001250431611 967850869 /nfs/dbraw/zinc/85/08/69/967850869.db2.gz OQCTZPFQNWSQTA-MRVPVSSYSA-N 0 1 249.701 2.476 20 0 BEADMN Cc1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001205847016 967851979 /nfs/dbraw/zinc/85/19/79/967851979.db2.gz IEZROIAYZKFKOA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CSc1ccc2nc([C@@H]3CCC(=O)N3)[nH]c2c1 ZINC001250435359 967854946 /nfs/dbraw/zinc/85/49/46/967854946.db2.gz VJTQIDJPOHJFDL-VIFPVBQESA-N 0 1 247.323 2.236 20 0 BEADMN Cc1[nH]nc2ccc(Cc3ccnn3C)cc12 ZINC001250437147 967858229 /nfs/dbraw/zinc/85/82/29/967858229.db2.gz DPRWITYABVLZBG-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN Cc1cc2nc(-c3cn[nH]n3)[nH]c2cc1Cl ZINC001250440830 967862365 /nfs/dbraw/zinc/86/23/65/967862365.db2.gz CATXEQRGWIUQGM-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN Cc1cc2[nH]c(-c3c[nH]nn3)nc2cc1Cl ZINC001250440830 967862371 /nfs/dbraw/zinc/86/23/71/967862371.db2.gz CATXEQRGWIUQGM-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN OCc1cc(Nc2cccc(O)c2F)ccn1 ZINC001212547340 967863909 /nfs/dbraw/zinc/86/39/09/967863909.db2.gz KSBIPPIRYXXRQM-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN CC(C)(C)C(=[NH2+])Nc1ccccc1-c1nnn[n-]1 ZINC001162664791 967884292 /nfs/dbraw/zinc/88/42/92/967884292.db2.gz OTKLEMJKSBLQIO-UHFFFAOYSA-N 0 1 244.302 2.302 20 0 BEADMN CCCn1cncc1CN(CC)C[C@H](C)OC ZINC001205923488 967886240 /nfs/dbraw/zinc/88/62/40/967886240.db2.gz BGFFJWXNPJWHJA-LBPRGKRZSA-N 0 1 239.363 2.150 20 0 BEADMN CN1CC=C(c2nccc(C(F)(F)F)n2)CC1 ZINC001250467118 967891942 /nfs/dbraw/zinc/89/19/42/967891942.db2.gz UXYPBRSSDYMECQ-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN Cc1cccnc1-c1ccc2[nH]nnc2c1 ZINC001250470750 967894841 /nfs/dbraw/zinc/89/48/41/967894841.db2.gz TZWRZBWNHLLQGZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cccnc1-c1ccc2nn[nH]c2c1 ZINC001250470750 967894842 /nfs/dbraw/zinc/89/48/42/967894842.db2.gz TZWRZBWNHLLQGZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Oc1c(F)cc(-c2ccncn2)cc1F ZINC001250491537 967957029 /nfs/dbraw/zinc/95/70/29/967957029.db2.gz HJJACAYFOAZCAK-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1nc[nH]c1-c1nc2ccc(F)cc2n1C ZINC001250498143 967984784 /nfs/dbraw/zinc/98/47/84/967984784.db2.gz KKIYXMXOVSADPH-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2nc(-c3nccn3C)[nH]c2cc1F ZINC001250501517 967989896 /nfs/dbraw/zinc/98/98/96/967989896.db2.gz UYXKEXIBPQZWIJ-UHFFFAOYSA-N 0 1 246.245 2.111 20 0 BEADMN C[C@H]1Cc2cc(NCc3cnc[nH]3)ccc2O1 ZINC000922903829 967992970 /nfs/dbraw/zinc/99/29/70/967992970.db2.gz FCSGBLYEHVDUBY-VIFPVBQESA-N 0 1 229.283 2.345 20 0 BEADMN CCn1cc(-c2nc3ccc(OC)cc3[nH]2)cn1 ZINC001250506361 968001370 /nfs/dbraw/zinc/00/13/70/968001370.db2.gz RARBQAVYAAQVHZ-UHFFFAOYSA-N 0 1 242.282 2.455 20 0 BEADMN COc1ccc2nc(-c3cnoc3)[nH]c2c1 ZINC001250509232 968007166 /nfs/dbraw/zinc/00/71/66/968007166.db2.gz YFYSYSOCVYJAAM-UHFFFAOYSA-N 0 1 215.212 2.227 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cn(C)cn3)nc21 ZINC001250511051 968010125 /nfs/dbraw/zinc/01/01/25/968010125.db2.gz CMNJMLMLXBUVJA-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1occc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000321332434 968013870 /nfs/dbraw/zinc/01/38/70/968013870.db2.gz ZJMHIMSARVGUJJ-JOYOIKCWSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1ccc(-c2ccc(O)c(F)c2F)nn1 ZINC001250520146 968023997 /nfs/dbraw/zinc/02/39/97/968023997.db2.gz RBELNXRJKAZEOM-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CCOC(=O)c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001250550376 968055613 /nfs/dbraw/zinc/05/56/13/968055613.db2.gz VRQLPRLBQZINBA-UHFFFAOYSA-N 0 1 244.172 2.157 20 0 BEADMN Cc1ccc2nc(C3(C)COC3)[nH]c2c1C ZINC001250558919 968067266 /nfs/dbraw/zinc/06/72/66/968067266.db2.gz KKGKJIMOEJPQLZ-UHFFFAOYSA-N 0 1 216.284 2.468 20 0 BEADMN c1c2c(cc3[nH]c([C@H]4CCCO4)nc13)OCC2 ZINC001250562272 968070511 /nfs/dbraw/zinc/07/05/11/968070511.db2.gz LIWIFIIPKLJXDB-LLVKDONJSA-N 0 1 230.267 2.349 20 0 BEADMN CN(C)c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001250562596 968076726 /nfs/dbraw/zinc/07/67/26/968076726.db2.gz MENCEDBAVJWIPX-GFCCVEGCSA-N 0 1 231.299 2.480 20 0 BEADMN c1c2c(cc3[nH]c(CC4CC4)nc13)OCC2 ZINC001250573219 968092237 /nfs/dbraw/zinc/09/22/37/968092237.db2.gz XEIBKRCCJSERHI-UHFFFAOYSA-N 0 1 214.268 2.450 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)[nH]1 ZINC001118305893 968115386 /nfs/dbraw/zinc/11/53/86/968115386.db2.gz FRVHGFLRGYGKFH-ZJUUUORDSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2C[C@@H]2C2CCCC2)n1 ZINC001118305893 968115390 /nfs/dbraw/zinc/11/53/90/968115390.db2.gz FRVHGFLRGYGKFH-ZJUUUORDSA-N 0 1 248.330 2.132 20 0 BEADMN COCCc1nc2ccc(SC)cc2[nH]1 ZINC001250595666 968128388 /nfs/dbraw/zinc/12/83/88/968128388.db2.gz PDQNIWKDAUNFCK-UHFFFAOYSA-N 0 1 222.313 2.474 20 0 BEADMN O=c1cc(Nc2ccccc2O)nc(Cl)[nH]1 ZINC001206201798 968132539 /nfs/dbraw/zinc/13/25/39/968132539.db2.gz LFOIUEWLAPMJIA-UHFFFAOYSA-N 0 1 237.646 2.285 20 0 BEADMN Cc1ccc2nc(CCC3OCCO3)[nH]c2c1 ZINC001250608584 968155347 /nfs/dbraw/zinc/15/53/47/968155347.db2.gz YQTVRVRYELUYEA-UHFFFAOYSA-N 0 1 232.283 2.177 20 0 BEADMN Cc1ccc(CCN(C)Cc2cn(C)cn2)cc1 ZINC001206237650 968160611 /nfs/dbraw/zinc/16/06/11/968160611.db2.gz UERKQSGGMZSAFZ-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN COc1ccc(C2=CCCN(C)C2)c(OC)c1 ZINC001250617425 968162837 /nfs/dbraw/zinc/16/28/37/968162837.db2.gz XLUVQKNPIVHRKV-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN Cc1nc2cc(NCc3nonc3C)ccc2[nH]1 ZINC001164059142 968165983 /nfs/dbraw/zinc/16/59/83/968165983.db2.gz JRGFRNQGSQQDPQ-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cn1cnc(CN2CCCC3(CCC3)C2)c1 ZINC001206249141 968169778 /nfs/dbraw/zinc/16/97/78/968169778.db2.gz MQVABUHVXCXSFL-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN CCOc1ccc2nc(-c3cnccn3)[nH]c2c1 ZINC001250629365 968172203 /nfs/dbraw/zinc/17/22/03/968172203.db2.gz AWTXESOHHWSSLV-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1cc(C)nc(N2CCCC(=O)[C@@H](F)C2)c1 ZINC001164130593 968175373 /nfs/dbraw/zinc/17/53/73/968175373.db2.gz LQNOSEDTMFMRES-NSHDSACASA-N 0 1 236.290 2.206 20 0 BEADMN Cc1ccc(Nc2cncn2C)c(O)c1 ZINC001206262418 968179428 /nfs/dbraw/zinc/17/94/28/968179428.db2.gz ZBTCNMWAQUTWAF-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CN(C)c1ccc2nc(-c3cncnc3)[nH]c2c1 ZINC001250663839 968192727 /nfs/dbraw/zinc/19/27/27/968192727.db2.gz FAVKTOVQUFFFAH-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1c[nH]c(-c2nc3ccc(F)cc3[nH]2)n1 ZINC001250735025 968198807 /nfs/dbraw/zinc/19/88/07/968198807.db2.gz DRNZMKKETAVRKX-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN CCc1ccc(C)nc1NC[C@@H](O)C(F)(F)F ZINC001250955236 968220103 /nfs/dbraw/zinc/22/01/03/968220103.db2.gz ABTLMIBDNKDVMJ-SECBINFHSA-N 0 1 248.248 2.288 20 0 BEADMN Cn1nccc1CN1CCC(F)(F)C(C)(C)C1 ZINC001206322875 968229640 /nfs/dbraw/zinc/22/96/40/968229640.db2.gz UETZVROJLGZSLJ-UHFFFAOYSA-N 0 1 243.301 2.287 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nc(CO)cs2)[C@H]1C ZINC001206343656 968248985 /nfs/dbraw/zinc/24/89/85/968248985.db2.gz RYFALRLJKONKKV-BBBLOLIVSA-N 0 1 240.372 2.112 20 0 BEADMN COc1cnc(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC001251054441 968253406 /nfs/dbraw/zinc/25/34/06/968253406.db2.gz OOFLPYUWAKOUMD-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CC(C)SCC[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000398737183 968276981 /nfs/dbraw/zinc/27/69/81/968276981.db2.gz XPUCZQPEAXFAFK-WDEREUQCSA-N 0 1 245.388 2.171 20 0 BEADMN CCC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001142714988 968277237 /nfs/dbraw/zinc/27/72/37/968277237.db2.gz LUUIZKQNRAZWAO-UHFFFAOYSA-N 0 1 203.245 2.220 20 0 BEADMN COc1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cn1 ZINC001206409783 968286676 /nfs/dbraw/zinc/28/66/76/968286676.db2.gz MKSHCRCZOITCBN-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1cccc2nc(-c3ncc(F)cn3)[nH]c21 ZINC001251381884 968288486 /nfs/dbraw/zinc/28/84/86/968288486.db2.gz WTJACJFHMGSNFQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccc(Cl)c2nc(-c3nnc[nH]3)[nH]c21 ZINC001251632291 968296591 /nfs/dbraw/zinc/29/65/91/968296591.db2.gz MXWUBQJZNZQRIK-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN Cc1cnc(-c2nc3ccc(F)cc3[nH]2)nc1 ZINC001251659077 968300963 /nfs/dbraw/zinc/30/09/63/968300963.db2.gz TWJCVLGUVBLWFE-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cnccc1CN1CC[C@@](C)(CF)C1 ZINC001206438042 968303994 /nfs/dbraw/zinc/30/39/94/968303994.db2.gz KPFJEKUBDXYRFC-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN CSc1ccc2nc(-c3cnnn3C)[nH]c2c1 ZINC001251717601 968307055 /nfs/dbraw/zinc/30/70/55/968307055.db2.gz WPUWDRNTEBIQRH-UHFFFAOYSA-N 0 1 245.311 2.080 20 0 BEADMN COc1cnccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001206480441 968336279 /nfs/dbraw/zinc/33/62/79/968336279.db2.gz XGIIRPQUMSKQCJ-SRVKXCTJSA-N 0 1 236.290 2.023 20 0 BEADMN Cc1nnc(CNC2(C3(C)CC3)CC2)s1 ZINC000698334468 968337934 /nfs/dbraw/zinc/33/79/34/968337934.db2.gz PGNXGXBVYCWHHJ-UHFFFAOYSA-N 0 1 223.345 2.269 20 0 BEADMN COc1ncccc1CN1CCC[C@@H](F)CC1 ZINC001206553657 968375092 /nfs/dbraw/zinc/37/50/92/968375092.db2.gz FECAEXIKVFCYBA-GFCCVEGCSA-N 0 1 238.306 2.414 20 0 BEADMN COc1ncccc1CN1CCCC12CC2 ZINC001206554057 968381015 /nfs/dbraw/zinc/38/10/15/968381015.db2.gz QADJUSSUAMKLFO-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN COc1ncccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001206576938 968394780 /nfs/dbraw/zinc/39/47/80/968394780.db2.gz QURCRNXVSMIULM-SDDRHHMPSA-N 0 1 236.290 2.023 20 0 BEADMN C[C@H](O)CNCc1c(F)cc(Cl)cc1F ZINC001251970135 968410768 /nfs/dbraw/zinc/41/07/68/968410768.db2.gz GUNZGQIJKJGLEG-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN COc1cccnc1CN1CCC[C@H](F)CC1 ZINC001206610331 968419089 /nfs/dbraw/zinc/41/90/89/968419089.db2.gz DUTJVCFTHKRCEK-NSHDSACASA-N 0 1 238.306 2.414 20 0 BEADMN Cc1ccccc1CN1CCC(F)(F)[C@@H](N)C1 ZINC001206655171 968427696 /nfs/dbraw/zinc/42/76/96/968427696.db2.gz FXNZZJQLAIPUEW-LBPRGKRZSA-N 0 1 240.297 2.163 20 0 BEADMN O[C@@H](CNCc1ncccc1F)c1ccccc1 ZINC001252002084 968430472 /nfs/dbraw/zinc/43/04/72/968430472.db2.gz IXKCHQGORCSDRU-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN CCCCC(=O)[C@H](C)NC[C@H](O)c1ccccc1 ZINC001252007397 968434437 /nfs/dbraw/zinc/43/44/37/968434437.db2.gz UDSUMJCKCASWNM-WFASDCNBSA-N 0 1 249.354 2.457 20 0 BEADMN OCCCCCN1CCCC(F)(F)[C@@H](F)C1 ZINC001206745089 968452225 /nfs/dbraw/zinc/45/22/25/968452225.db2.gz PGESVDVRHJOKBG-JTQLQIEISA-N 0 1 239.281 2.218 20 0 BEADMN Cc1cncc(-c2cc(F)c(O)cc2F)n1 ZINC001206756261 968459167 /nfs/dbraw/zinc/45/91/67/968459167.db2.gz YODPIRXWHVJUGJ-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1ncc(CN2CCC[C@H](C(F)F)C2)n1C ZINC001206794376 968477785 /nfs/dbraw/zinc/47/77/85/968477785.db2.gz PQIFUIHNFDUUKN-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN Cc1nc(CN2CCC[C@H](O)[C@H](C)C2)cs1 ZINC001206798081 968480785 /nfs/dbraw/zinc/48/07/85/968480785.db2.gz AKAZVGXEVHJKBG-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN CCCC[C@@H](O)C[N@@H+](CC)Cc1ccncc1 ZINC001252075864 968490222 /nfs/dbraw/zinc/49/02/22/968490222.db2.gz DAFYTUIYPXKOSD-CQSZACIVSA-N 0 1 236.359 2.455 20 0 BEADMN Cc1ccnc(CN2CC3(CCC3)C2)c1 ZINC001206847399 968495040 /nfs/dbraw/zinc/49/50/40/968495040.db2.gz XHSXZNZVYQJRCF-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN CCCC[C@@H](O)CNc1ccc2nccn2c1 ZINC001252079257 968496117 /nfs/dbraw/zinc/49/61/17/968496117.db2.gz MCAUTTLVCPHJLA-GFCCVEGCSA-N 0 1 233.315 2.297 20 0 BEADMN CC[C@@H](O)CCCNCc1csc(C)n1 ZINC000164699299 968525178 /nfs/dbraw/zinc/52/51/78/968525178.db2.gz RYKKPUKCOBOSDC-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN COc1cncc(CN2CC[C@@](C)(CF)C2)c1 ZINC001206993981 968532475 /nfs/dbraw/zinc/53/24/75/968532475.db2.gz SELLMXFWDSXTTH-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN O=c1[nH]cccc1CN1CCc2sccc2C1 ZINC001207001341 968536104 /nfs/dbraw/zinc/53/61/04/968536104.db2.gz DABAXIBERQWWKP-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN CCCN(Cc1ncccn1)[C@@H](C)CC ZINC001207010983 968536305 /nfs/dbraw/zinc/53/63/05/968536305.db2.gz CLIXFAOXUPXBNV-NSHDSACASA-N 0 1 207.321 2.487 20 0 BEADMN Fc1cncc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001207018192 968554134 /nfs/dbraw/zinc/55/41/34/968554134.db2.gz KVGNMBWUUKVWOJ-DLOVCJGASA-N 0 1 224.254 2.011 20 0 BEADMN C[C@]1(CF)CCN(Cc2ccc(F)cn2)C1 ZINC001207037898 968569719 /nfs/dbraw/zinc/56/97/19/968569719.db2.gz BOPFXOCXGDITLU-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccc(F)cn3)C[C@H]12 ZINC001207045386 968572295 /nfs/dbraw/zinc/57/22/95/968572295.db2.gz QTJBNWPSVRRXIR-MFKMUULPSA-N 0 1 248.301 2.022 20 0 BEADMN CCCC[C@@H](O)CN1CCn2cccc2[C@@H]1C ZINC001252093250 968573757 /nfs/dbraw/zinc/57/37/57/968573757.db2.gz GRKOLUWROKQJCC-QWHCGFSZSA-N 0 1 236.359 2.416 20 0 BEADMN CCCC[C@H](O)CN1CCn2cccc2[C@H]1C ZINC001252093249 968574309 /nfs/dbraw/zinc/57/43/09/968574309.db2.gz GRKOLUWROKQJCC-OLZOCXBDSA-N 0 1 236.359 2.416 20 0 BEADMN CCCC[C@@H](O)CN1CCC[C@@H]1c1ncccn1 ZINC001252100010 968582406 /nfs/dbraw/zinc/58/24/06/968582406.db2.gz PRYPZZFUWOOEGU-CHWSQXEVSA-N 0 1 249.358 2.165 20 0 BEADMN Cc1ncc(CN2CC[C@]3(CCCO3)C2)s1 ZINC001207059087 968586040 /nfs/dbraw/zinc/58/60/40/968586040.db2.gz UFAAJIVTBCJGAJ-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3ncc4ccccn43)C[C@@H]21 ZINC001207053359 968587793 /nfs/dbraw/zinc/58/77/93/968587793.db2.gz PPVXFCLHFJQXDV-BETUJISGSA-N 0 1 241.338 2.422 20 0 BEADMN C[C@H]1CN(Cc2cccc(=O)[nH]2)CCC1(F)F ZINC001207064985 968597444 /nfs/dbraw/zinc/59/74/44/968597444.db2.gz HKNSPPWTFOEEPK-VIFPVBQESA-N 0 1 242.269 2.264 20 0 BEADMN CCCC[C@@H](O)CNCc1ncc(Cl)s1 ZINC001252119254 968602600 /nfs/dbraw/zinc/60/26/00/968602600.db2.gz VYTAGKVVAIBUQF-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN CCCC[C@H](O)CNCc1ncc(Cl)s1 ZINC001252119255 968603424 /nfs/dbraw/zinc/60/34/24/968603424.db2.gz VYTAGKVVAIBUQF-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](F)CC2)cn1 ZINC001207072685 968605138 /nfs/dbraw/zinc/60/51/38/968605138.db2.gz LOEKUGDEKYJJST-LLVKDONJSA-N 0 1 223.295 2.109 20 0 BEADMN CC(C)(O)CNc1cc2n[nH]cc2cc1Cl ZINC001252363807 968642573 /nfs/dbraw/zinc/64/25/73/968642573.db2.gz QNWZFYFVIDLHAM-UHFFFAOYSA-N 0 1 239.706 2.399 20 0 BEADMN CC(C)(O)CNC(C)(C)C(=O)c1ccccc1 ZINC001252363700 968642869 /nfs/dbraw/zinc/64/28/69/968642869.db2.gz OAJAWCMNFUBODA-UHFFFAOYSA-N 0 1 235.327 2.008 20 0 BEADMN Cc1ncccc1-c1nccc2c1CCN2 ZINC001240720106 968663709 /nfs/dbraw/zinc/66/37/09/968663709.db2.gz ZNKRZGOHJDMLPG-UHFFFAOYSA-N 0 1 211.268 2.420 20 0 BEADMN Cc1cncc(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001207160762 968669341 /nfs/dbraw/zinc/66/93/41/968669341.db2.gz JFPUOKYCZCWDEH-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN CCOCC1CCN(Cc2ccnc(C)n2)CC1 ZINC001207169088 968676163 /nfs/dbraw/zinc/67/61/63/968676163.db2.gz SZYXBTAJHGFGAG-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CC(C)c1nccn1Cc1nnc(C2CC2)[nH]1 ZINC000182832818 968677406 /nfs/dbraw/zinc/67/74/06/968677406.db2.gz DIQSNAQFNLVRPM-UHFFFAOYSA-N 0 1 231.303 2.050 20 0 BEADMN COC[C@H]1CCCN1Cc1ccnn1C(C)C ZINC001207171064 968678944 /nfs/dbraw/zinc/67/89/44/968678944.db2.gz PIFBYBMCKZUSLU-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CC(=O)N(C)C[C@H]1CCN1Cc1cccc(C)c1 ZINC001085444861 968707811 /nfs/dbraw/zinc/70/78/11/968707811.db2.gz RAEUGBVISLAKDF-OAHLLOKOSA-N 0 1 246.354 2.048 20 0 BEADMN COc1cccc(CCN2CC(C(F)F)C2)c1 ZINC001207434300 968770233 /nfs/dbraw/zinc/77/02/33/968770233.db2.gz IMJCJVXTHHLZQA-UHFFFAOYSA-N 0 1 241.281 2.435 20 0 BEADMN COc1ccccc1CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001207460058 968785031 /nfs/dbraw/zinc/78/50/31/968785031.db2.gz GJTCSTVAZGVZRO-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1CCN1C[C@@H](C)OC[C@@H]1C ZINC001207460058 968785040 /nfs/dbraw/zinc/78/50/40/968785040.db2.gz GJTCSTVAZGVZRO-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN C[C@H]1CN(CCc2ccc(F)cc2)C[C@H](C)O1 ZINC001207509808 968811178 /nfs/dbraw/zinc/81/11/78/968811178.db2.gz AFKVRXDNJVHNSO-RYUDHWBXSA-N 0 1 237.318 2.477 20 0 BEADMN CCC(CC)C(=O)N1CCN(C(C)(C)C)CC1 ZINC000244414864 968868862 /nfs/dbraw/zinc/86/88/62/968868862.db2.gz YQDVJZCZEIBNTM-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1CC1(c2ccccc2)CC1 ZINC001207829923 968893619 /nfs/dbraw/zinc/89/36/19/968893619.db2.gz AUICWUTYFJRDPT-KBPBESRZSA-N 0 1 249.329 2.123 20 0 BEADMN C[C@H]1CN(CC2(c3ccccc3)CC2)CCO1 ZINC001207832877 968894248 /nfs/dbraw/zinc/89/42/48/968894248.db2.gz FLBZNAGXJFZHSZ-ZDUSSCGKSA-N 0 1 231.339 2.439 20 0 BEADMN Cc1ccc(NCCC(=O)N(C)C2CC2)nc1C ZINC001155150231 968900479 /nfs/dbraw/zinc/90/04/79/968900479.db2.gz FVOKUPLQAHGNKH-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CCC[C@H](O)CNc1ccc2nc(C)cn2c1 ZINC001252775734 968944956 /nfs/dbraw/zinc/94/49/56/968944956.db2.gz PBGLHINIEVBXNT-LBPRGKRZSA-N 0 1 233.315 2.216 20 0 BEADMN Cc1ccc(CCCN(C)Cc2cncnc2)o1 ZINC001207949125 968945338 /nfs/dbraw/zinc/94/53/38/968945338.db2.gz JKHRRKIUMFEVRU-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN Cc1ccc(CCC[N@H+](C)Cc2cnccn2)o1 ZINC001207952021 968947583 /nfs/dbraw/zinc/94/75/83/968947583.db2.gz GJAWHZSXHGWBNV-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN Cc1ccc(CCCN(C)Cc2cnccn2)o1 ZINC001207952021 968947589 /nfs/dbraw/zinc/94/75/89/968947589.db2.gz GJAWHZSXHGWBNV-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN FC1CN(C2CN(CCCC3CCCC3)C2)C1 ZINC001208087813 968992976 /nfs/dbraw/zinc/99/29/76/968992976.db2.gz UDPLWCXBIDLTRJ-UHFFFAOYSA-N 0 1 240.366 2.295 20 0 BEADMN Cc1nc2c[nH]cc(-c3cccc(CO)c3)c-2n1 ZINC001241511387 969019826 /nfs/dbraw/zinc/01/98/26/969019826.db2.gz XZBKMMDOLSVLKO-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1nc2c(cncc2-c2cccc(CO)c2)[nH]1 ZINC001241511387 969019838 /nfs/dbraw/zinc/01/98/38/969019838.db2.gz XZBKMMDOLSVLKO-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1ncccc1F ZINC001241541261 969027474 /nfs/dbraw/zinc/02/74/74/969027474.db2.gz OFYOYEXSPXPSNE-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ccc(-c2nnc(C3CN(C)C3)o2)cc1 ZINC001252941910 969042619 /nfs/dbraw/zinc/04/26/19/969042619.db2.gz ZRWBTCATBWXGQR-UHFFFAOYSA-N 0 1 243.310 2.328 20 0 BEADMN CC/C=C\CCCN1CCO[C@H](COC)C1 ZINC001208139272 969055178 /nfs/dbraw/zinc/05/51/78/969055178.db2.gz WYQVEKFREDBWTD-ZFDPJTLLSA-N 0 1 227.348 2.080 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CC[C@@H](C)SC ZINC001208140038 969056648 /nfs/dbraw/zinc/05/66/48/969056648.db2.gz XBBCUBOKQUGMDN-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN CCOc1cncc(C2=CCCN(C)C2)c1 ZINC001241570761 969069314 /nfs/dbraw/zinc/06/93/14/969069314.db2.gz LDUYMLHXWVYULY-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN Cc1[nH]nc2cc(-c3ncncc3F)ccc12 ZINC001241636903 969076345 /nfs/dbraw/zinc/07/63/45/969076345.db2.gz OVYOYKNFFGCHDK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CS[C@H](C)CCN(C)Cc1cnc(C)nc1 ZINC001208153794 969076574 /nfs/dbraw/zinc/07/65/74/969076574.db2.gz IXLJYDZMOARSTM-SNVBAGLBSA-N 0 1 239.388 2.358 20 0 BEADMN Cc1ncn(C)c1NC[C@](C)(O)c1ccccc1 ZINC001253096182 969082620 /nfs/dbraw/zinc/08/26/20/969082620.db2.gz ZQINSVCTEBLDFN-AWEZNQCLSA-N 0 1 245.326 2.048 20 0 BEADMN C[C@H]1CN(C[C@@](C)(O)c2ccccc2)C[C@H](C)O1 ZINC001253101333 969085907 /nfs/dbraw/zinc/08/59/07/969085907.db2.gz IWTSOLYAGPYJSJ-KCQAQPDRSA-N 0 1 249.354 2.003 20 0 BEADMN Cc1cscc1-c1ncnc2c1CNC2 ZINC001241726676 969104012 /nfs/dbraw/zinc/10/40/12/969104012.db2.gz UILJFZRZBUPOSI-UHFFFAOYSA-N 0 1 217.297 2.117 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208171851 969104090 /nfs/dbraw/zinc/10/40/90/969104090.db2.gz YACLPQWQBASZCV-OLZOCXBDSA-N 0 1 239.359 2.474 20 0 BEADMN CC1=C[C@@H](C)[C@@H](CN2CC3(CCO3)C2)CC1 ZINC001208183104 969114143 /nfs/dbraw/zinc/11/41/43/969114143.db2.gz XDUBEQNQSMEINE-CHWSQXEVSA-N 0 1 221.344 2.454 20 0 BEADMN Cc1ccsc1C=CC(=O)NCc1cnc[nH]1 ZINC000088753288 969132713 /nfs/dbraw/zinc/13/27/13/969132713.db2.gz SMKVATDHOFVSNX-NSCUHMNNSA-N 0 1 247.323 2.109 20 0 BEADMN Cc1nnc(-c2cc(-c3cccc(O)c3)n[nH]2)o1 ZINC001253375601 969142851 /nfs/dbraw/zinc/14/28/51/969142851.db2.gz OGFJFYHSMZSNDT-UHFFFAOYSA-N 0 1 242.238 2.141 20 0 BEADMN Cc1nnc(-c2c(F)cc(O)cc2F)o1 ZINC001253375585 969143186 /nfs/dbraw/zinc/14/31/86/969143186.db2.gz NDUXCNFUYFXJAL-UHFFFAOYSA-N 0 1 212.155 2.029 20 0 BEADMN COc1ccnc(NCc2ccc(C)cn2)c1 ZINC000089805526 969147941 /nfs/dbraw/zinc/14/79/41/969147941.db2.gz SUTGSPCBWZDSQT-UHFFFAOYSA-N 0 1 229.283 2.406 20 0 BEADMN c1c[nH]c(CNc2ccc3c(n2)CCCC3)n1 ZINC000712334598 969191062 /nfs/dbraw/zinc/19/10/62/969191062.db2.gz ODAMSASWLRFRGA-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CCOCc1ncn2c1CN(CCC1CC1)CC2 ZINC001208682512 969194023 /nfs/dbraw/zinc/19/40/23/969194023.db2.gz LPNYMPAALCREPI-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN c1ncn2c1cccc2C1=CCOCC1 ZINC001242076977 969199783 /nfs/dbraw/zinc/19/97/83/969199783.db2.gz IPBZUOXLFLZYHF-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN CC/C=C\CCN1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001208725032 969207147 /nfs/dbraw/zinc/20/71/47/969207147.db2.gz GRUAKUNRGNVIPU-IDOVFVQQSA-N 0 1 237.343 2.370 20 0 BEADMN CCCCC[C@H](O)CN1C[C@@H](C)OC[C@@H]1C ZINC001253540270 969213489 /nfs/dbraw/zinc/21/34/89/969213489.db2.gz DYTDMEDNPHBSKS-XQQFMLRXSA-N 0 1 229.364 2.037 20 0 BEADMN C[C@@H](NCc1ccnc(F)c1)c1cccnc1 ZINC001168785238 969214137 /nfs/dbraw/zinc/21/41/37/969214137.db2.gz JGVPCUXQFNFFDQ-SNVBAGLBSA-N 0 1 231.274 2.467 20 0 BEADMN CC/C=C\CCN1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001208733075 969216829 /nfs/dbraw/zinc/21/68/29/969216829.db2.gz BXVCPBCCFMWRDH-ZQDIZJQTSA-N 0 1 237.343 2.369 20 0 BEADMN CC/C=C\CCN1CC(=O)NC2(CCCC2)C1 ZINC001208733104 969220156 /nfs/dbraw/zinc/22/01/56/969220156.db2.gz DILGIRIMUUZHFI-ARJAWSKDSA-N 0 1 236.359 2.087 20 0 BEADMN CCCCC[C@@H](O)CN[C@H](C)c1cnccn1 ZINC001253553473 969227654 /nfs/dbraw/zinc/22/76/54/969227654.db2.gz GDQFXTKDZJEOOF-VXGBXAGGSA-N 0 1 237.347 2.068 20 0 BEADMN CCCCC[C@H](O)CN[C@H](C)c1cnccn1 ZINC001253553470 969228404 /nfs/dbraw/zinc/22/84/04/969228404.db2.gz GDQFXTKDZJEOOF-NEPJUHHUSA-N 0 1 237.347 2.068 20 0 BEADMN C[C@H]1CN(CCCc2ccc(F)cc2)CCO1 ZINC001208766787 969230853 /nfs/dbraw/zinc/23/08/53/969230853.db2.gz HNCYLAHWOQKYPL-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN COc1cncc(NC2=CC[N@@H+](C)CC2)c1C ZINC001208742309 969231687 /nfs/dbraw/zinc/23/16/87/969231687.db2.gz VDHXCFONNXSVDK-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN COc1cc(C)c(NC2=CC[N@@H+](C)CC2)cn1 ZINC001208741674 969233668 /nfs/dbraw/zinc/23/36/68/969233668.db2.gz MQMMHOMTQMZAGL-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN CN1CC=C(NC2=CC(Cl)=NCC2=O)CC1 ZINC001208793157 969236241 /nfs/dbraw/zinc/23/62/41/969236241.db2.gz DVFOPXGYHHCVOK-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN c1csc(CN2CC3(CSC3)C2)c1 ZINC001204017165 969236774 /nfs/dbraw/zinc/23/67/74/969236774.db2.gz PDPXUOPYVZYJQX-UHFFFAOYSA-N 0 1 211.355 2.297 20 0 BEADMN c1c[nH]c(CNCc2cccc3ncccc23)n1 ZINC000720474631 969258282 /nfs/dbraw/zinc/25/82/82/969258282.db2.gz ZRMKEXVPECZBBQ-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN Nc1cc(NCCC2CCC2)ncc1F ZINC001168886503 969259500 /nfs/dbraw/zinc/25/95/00/969259500.db2.gz DIGIJBSTMCVTSO-UHFFFAOYSA-N 0 1 209.268 2.405 20 0 BEADMN COCc1cc(-c2ccc(F)cc2O)ncn1 ZINC001242215890 969279092 /nfs/dbraw/zinc/27/90/92/969279092.db2.gz KOIXYDHTFUXKPI-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Cc1ncc2n1CCN(C[C@@H](C)C(F)(F)F)C2 ZINC001208895911 969279880 /nfs/dbraw/zinc/27/98/80/969279880.db2.gz OUQOORCIQPKRLN-MRVPVSSYSA-N 0 1 247.264 2.206 20 0 BEADMN Cc1nc(-c2ccc(F)cc2O)cc(N(C)C)n1 ZINC001242215899 969280908 /nfs/dbraw/zinc/28/09/08/969280908.db2.gz KTMVHTLIRJIOKP-UHFFFAOYSA-N 0 1 247.273 2.363 20 0 BEADMN COCCOC1CN(CC2(C)CCCCC2)C1 ZINC001208907063 969295677 /nfs/dbraw/zinc/29/56/77/969295677.db2.gz DKNNHXDOMOJIHV-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CCC(=O)C(C)(C)CN1CCC(=O)C(C)(C)C1 ZINC001208921022 969306353 /nfs/dbraw/zinc/30/63/53/969306353.db2.gz SIIWNQCRMRNBJH-UHFFFAOYSA-N 0 1 239.359 2.293 20 0 BEADMN CCC(=O)C(C)(C)CN1CC(C(F)F)C1 ZINC001208922594 969308496 /nfs/dbraw/zinc/30/84/96/969308496.db2.gz MTKPDFQJKANGNW-UHFFFAOYSA-N 0 1 219.275 2.189 20 0 BEADMN Oc1cc(F)ccc1-c1cc2c(nn1)CCC2 ZINC001242217678 969321575 /nfs/dbraw/zinc/32/15/75/969321575.db2.gz SJYKYXZUGWCAKH-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN CC(C)(C)C(=O)NCc1[nH]nc2ccccc21 ZINC000169923908 969324572 /nfs/dbraw/zinc/32/45/72/969324572.db2.gz HXWYSDYZZAPYSG-UHFFFAOYSA-N 0 1 231.299 2.225 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(CF)cc1 ZINC001169029820 969347584 /nfs/dbraw/zinc/34/75/84/969347584.db2.gz YVGCVQCJCHMGBN-UHFFFAOYSA-N 0 1 219.263 2.109 20 0 BEADMN Cc1cnc(CN)n1-c1c(C)cccc1C ZINC001169029034 969348424 /nfs/dbraw/zinc/34/84/24/969348424.db2.gz RSXDLKMVHWTDOG-UHFFFAOYSA-N 0 1 215.300 2.256 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(C)c2[nH]ccc21 ZINC001169028825 969350100 /nfs/dbraw/zinc/35/01/00/969350100.db2.gz GRUPGXLNIRESBT-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN Cc1cnc(CN)n1-c1cc(C(C)(C)C)ccn1 ZINC001169030501 969352469 /nfs/dbraw/zinc/35/24/69/969352469.db2.gz DNZHTQZNRQBCTC-UHFFFAOYSA-N 0 1 244.342 2.332 20 0 BEADMN Cc1cnc(CN)n1-c1cc(C)ccc1N(C)C ZINC001169030687 969353211 /nfs/dbraw/zinc/35/32/11/969353211.db2.gz IDSZGNGGZVUZCI-UHFFFAOYSA-N 0 1 244.342 2.014 20 0 BEADMN COc1cccc(F)c1CN1CCCC1 ZINC000144794336 969371220 /nfs/dbraw/zinc/37/12/20/969371220.db2.gz BMFJVOCKKLVVJZ-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN CCCc1nnc(C23CCCN2CCC3)o1 ZINC001253983186 969438715 /nfs/dbraw/zinc/43/87/15/969438715.db2.gz RBCQBRWDMUBPDD-UHFFFAOYSA-N 0 1 221.304 2.107 20 0 BEADMN CCCc1nnc(Cc2ccc3nc[nH]c3c2)o1 ZINC001253983135 969440886 /nfs/dbraw/zinc/44/08/86/969440886.db2.gz PILPRGDAVOTFOK-UHFFFAOYSA-N 0 1 242.282 2.489 20 0 BEADMN CCCc1nnc(-c2cc(C(F)(F)F)n[nH]2)o1 ZINC001254000893 969442102 /nfs/dbraw/zinc/44/21/02/969442102.db2.gz YVUYMJHXKPYBGR-UHFFFAOYSA-N 0 1 246.192 2.431 20 0 BEADMN CCCc1nnc(-c2[nH]ncc2Cl)o1 ZINC001253994645 969442682 /nfs/dbraw/zinc/44/26/82/969442682.db2.gz RHGVIMCDAJAVFF-UHFFFAOYSA-N 0 1 212.640 2.066 20 0 BEADMN c1nc2ccc(Cc3nnc(C4CC4)o3)cc2[nH]1 ZINC001254087654 969487031 /nfs/dbraw/zinc/48/70/31/969487031.db2.gz PCXQBZNTHRUAHF-UHFFFAOYSA-N 0 1 240.266 2.414 20 0 BEADMN Oc1cc(F)ccc1-c1nnc(C2CC2)o1 ZINC001254114990 969506855 /nfs/dbraw/zinc/50/68/55/969506855.db2.gz RZCXIJNPVUBGJA-UHFFFAOYSA-N 0 1 220.203 2.459 20 0 BEADMN c1nc(CN2CCCCC2)cc2c1OCCC2 ZINC001209500860 969528575 /nfs/dbraw/zinc/52/85/75/969528575.db2.gz XQGAXPXNDGHOHK-UHFFFAOYSA-N 0 1 232.327 2.393 20 0 BEADMN CCN(Cc1ccc2cc[nH]c2c1)C1COC1 ZINC001209514297 969532459 /nfs/dbraw/zinc/53/24/59/969532459.db2.gz JFWRZZNYKKSFTQ-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN CC1CN(Cc2c3ccccc3nn2C)C1 ZINC001209534982 969533716 /nfs/dbraw/zinc/53/37/16/969533716.db2.gz PJGYPQHUGXKQJB-UHFFFAOYSA-N 0 1 215.300 2.025 20 0 BEADMN Cn1nc2ccccc2c1CN1CCSCC1 ZINC001209532865 969534040 /nfs/dbraw/zinc/53/40/40/969534040.db2.gz PAQLHXPOWGLYFJ-UHFFFAOYSA-N 0 1 247.367 2.122 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC(F)(F)CC1 ZINC001254212585 969538292 /nfs/dbraw/zinc/53/82/92/969538292.db2.gz AJBXMUPAZBDDPP-UHFFFAOYSA-N 0 1 219.299 2.049 20 0 BEADMN CC(C)(C)N1CCN(Cc2cncs2)CC1 ZINC001209549607 969540010 /nfs/dbraw/zinc/54/00/10/969540010.db2.gz AITCCWDVVONQHT-UHFFFAOYSA-N 0 1 239.388 2.059 20 0 BEADMN Cn1ccc2c1nccc2N[C@H]1CCC[C@@H](O)C1 ZINC001169253423 969542973 /nfs/dbraw/zinc/54/29/73/969542973.db2.gz YWPTTYDLLYODOS-WDEREUQCSA-N 0 1 245.326 2.289 20 0 BEADMN CCN(Cc1cc[nH]c1)Cc1ccncc1 ZINC000289870758 969543945 /nfs/dbraw/zinc/54/39/45/969543945.db2.gz RHMIDGDWVJXSRB-UHFFFAOYSA-N 0 1 215.300 2.432 20 0 BEADMN O[C@@H]1CCC[C@H](Nc2cc3nc[nH]c3cc2F)C1 ZINC001169252569 969544572 /nfs/dbraw/zinc/54/45/72/969544572.db2.gz BJXVHMVAMCNXEE-DTWKUNHWSA-N 0 1 249.289 2.417 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)[nH]1 ZINC001209568091 969550252 /nfs/dbraw/zinc/55/02/52/969550252.db2.gz CNXYOYKYXSHYRD-OCCSQVGLSA-N 0 1 234.343 2.324 20 0 BEADMN Cc1ccnc(CCNc2ccnc(C)c2F)c1 ZINC001169319902 969565785 /nfs/dbraw/zinc/56/57/85/969565785.db2.gz KBDLYOREUNUDPI-UHFFFAOYSA-N 0 1 245.301 2.309 20 0 BEADMN Cc1[nH]c2ncccc2c1CN(C)C1(C)COC1 ZINC001209589691 969566114 /nfs/dbraw/zinc/56/61/14/969566114.db2.gz GWRRTZMLFJGBBS-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CCO[C@H](C)C1 ZINC001209586259 969566609 /nfs/dbraw/zinc/56/66/09/969566609.db2.gz VQHNLHKVOUCSQO-SNVBAGLBSA-N 0 1 245.326 2.092 20 0 BEADMN Nc1ccncc1CN1Cc2cccc(F)c2C1 ZINC001209730021 969584105 /nfs/dbraw/zinc/58/41/05/969584105.db2.gz DFEFNVZXFAODDM-UHFFFAOYSA-N 0 1 243.285 2.149 20 0 BEADMN Cc1cc(CN2CCN(C)c3ccccc32)n[nH]1 ZINC001254373411 969587236 /nfs/dbraw/zinc/58/72/36/969587236.db2.gz FKTNQJVJMYEMRW-UHFFFAOYSA-N 0 1 242.326 2.175 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@H]1CCCOC1 ZINC001254386294 969603057 /nfs/dbraw/zinc/60/30/57/969603057.db2.gz NXRNBOMPJLYSOS-NEPJUHHUSA-N 0 1 220.316 2.044 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@@H]1CCCOC1 ZINC001254386295 969603961 /nfs/dbraw/zinc/60/39/61/969603961.db2.gz NXRNBOMPJLYSOS-NWDGAFQWSA-N 0 1 220.316 2.044 20 0 BEADMN NCc1nccnc1NC1CCC2(CC2)CC1 ZINC001254436733 969626164 /nfs/dbraw/zinc/62/61/64/969626164.db2.gz MKFALVRJRJRHNS-UHFFFAOYSA-N 0 1 232.331 2.070 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)NCCO2 ZINC001209795390 969627465 /nfs/dbraw/zinc/62/74/65/969627465.db2.gz QUNQSFPEHARYHV-UHFFFAOYSA-N 0 1 244.298 2.276 20 0 BEADMN Cc1cc(Nc2ccc3nc[nH]c3c2)nn1C ZINC001209841618 969653182 /nfs/dbraw/zinc/65/31/82/969653182.db2.gz XWIDGCVKRKFOIK-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Oc1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209842279 969653251 /nfs/dbraw/zinc/65/32/51/969653251.db2.gz GUFXYUDQBKBWLM-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN FCCn1cnc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209849333 969663338 /nfs/dbraw/zinc/66/33/38/969663338.db2.gz XFWHOSHYKKCREX-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN OCc1ncccc1Nc1ccc2nc[nH]c2c1 ZINC001209847269 969663492 /nfs/dbraw/zinc/66/34/92/969663492.db2.gz DTHOLNWQPZORSK-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1ncc(Nc2cnc(N)cc2C)c(C)n1 ZINC001209965214 969723573 /nfs/dbraw/zinc/72/35/73/969723573.db2.gz OZSBUWOEHJWAQV-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN COc1cc(Nc2cnc(N)cc2C)cc(C)n1 ZINC001209966145 969731784 /nfs/dbraw/zinc/73/17/84/969731784.db2.gz AVHXAWGAACCGMX-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001331923706 969731973 /nfs/dbraw/zinc/73/19/73/969731973.db2.gz BWWMWXACUYHHAI-LBPRGKRZSA-N 0 1 245.278 2.339 20 0 BEADMN COc1nccc(C)c1Nc1cnc(N)cc1C ZINC001209967197 969735073 /nfs/dbraw/zinc/73/50/73/969735073.db2.gz IYZRRXKZMOLKHM-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN COc1cc(O)ccc1Nc1cnc(N)cc1C ZINC001209970926 969739012 /nfs/dbraw/zinc/73/90/12/969739012.db2.gz KFGZJBDGHLACJW-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)c(C)c1 ZINC001209975575 969743873 /nfs/dbraw/zinc/74/38/73/969743873.db2.gz QHIHOMSQQPVGEL-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(F)cc1O ZINC001210014934 969755103 /nfs/dbraw/zinc/75/51/03/969755103.db2.gz QYEMVWIQLLWENN-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN c1nnc(Nc2ccc3cnccc3c2)o1 ZINC001210043427 969774705 /nfs/dbraw/zinc/77/47/05/969774705.db2.gz DNFDORYDCRUAPR-UHFFFAOYSA-N 0 1 212.212 2.361 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ccncn1 ZINC001210100083 969796767 /nfs/dbraw/zinc/79/67/67/969796767.db2.gz CAGHCMYPPAHXDF-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCc1coc(CNC2C[C@@H]3CC(=O)C[C@H]3C2)n1 ZINC001254916530 969820019 /nfs/dbraw/zinc/82/00/19/969820019.db2.gz ZSEGFYGGQBDEIM-NXEZZACHSA-N 0 1 248.326 2.084 20 0 BEADMN CC1(C)CN(C2C[C@@H]3CC(=O)C[C@H]3C2)CCC1=O ZINC001254956817 969839202 /nfs/dbraw/zinc/83/92/02/969839202.db2.gz OSKPLNHWNJCFTL-GHMZBOCLSA-N 0 1 249.354 2.045 20 0 BEADMN Cc1ncn(-c2cccnc2C(F)(F)F)c1N ZINC001210233452 969840188 /nfs/dbraw/zinc/84/01/88/969840188.db2.gz ASLOYVXGPDIEBQ-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN CCN([C@@H](C)C(=O)OC)C1Cc2ccccc2C1 ZINC001255029296 969853634 /nfs/dbraw/zinc/85/36/34/969853634.db2.gz LSXWGCBXQKURRD-NSHDSACASA-N 0 1 247.338 2.037 20 0 BEADMN Fc1ccc(F)c(CNC2CCOCC2)c1F ZINC001255030893 969855628 /nfs/dbraw/zinc/85/56/28/969855628.db2.gz WSFRFZWLNOBQOO-UHFFFAOYSA-N 0 1 245.244 2.373 20 0 BEADMN C[C@@H](NC1CCSCC1)c1ncc(F)cn1 ZINC001255081955 969874692 /nfs/dbraw/zinc/87/46/92/969874692.db2.gz HCTNBQFIULAUJA-MRVPVSSYSA-N 0 1 241.335 2.162 20 0 BEADMN Cc1ccc(C)c(NC[C@@H]2COC(C)(C)O2)n1 ZINC001169904388 969880522 /nfs/dbraw/zinc/88/05/22/969880522.db2.gz IBKMKJYTJUPVKP-LLVKDONJSA-N 0 1 236.315 2.262 20 0 BEADMN COc1ncc(Cl)cc1Nc1nonc1C ZINC001210451249 969893167 /nfs/dbraw/zinc/89/31/67/969893167.db2.gz DEHGQYYTXYJAEQ-UHFFFAOYSA-N 0 1 240.650 2.179 20 0 BEADMN Cn1cncc1Nc1ccc2ncncc2c1 ZINC001210456541 969893349 /nfs/dbraw/zinc/89/33/49/969893349.db2.gz UJYNMDINKSDZPG-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN CCc1nnc(CN2CC[C@H]3CCCC[C@@H]3C2)[nH]1 ZINC001255095592 969931094 /nfs/dbraw/zinc/93/10/94/969931094.db2.gz KNYHBPPKSCZXAX-VXGBXAGGSA-N 0 1 248.374 2.379 20 0 BEADMN OCc1cc(Nc2cccc3c2OCO3)ccn1 ZINC001210558180 969941726 /nfs/dbraw/zinc/94/17/26/969941726.db2.gz KKNGFWYTQRWUAT-UHFFFAOYSA-N 0 1 244.250 2.046 20 0 BEADMN Nc1cncc(-c2cncc3cc[nH]c32)c1 ZINC001242500467 969976722 /nfs/dbraw/zinc/97/67/22/969976722.db2.gz OPRQYOWTLNQIRW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cn1cncc1Nc1cccnc1OC(F)F ZINC001210621588 969984021 /nfs/dbraw/zinc/98/40/21/969984021.db2.gz BRXOIFBOIVLWMG-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cc1ncn(C)c1Nc1ccnc(OC2CC2)c1 ZINC001210746436 970015255 /nfs/dbraw/zinc/01/52/55/970015255.db2.gz AFGITJFPNGUMEW-UHFFFAOYSA-N 0 1 244.298 2.408 20 0 BEADMN CCCN(C)c1nc[nH]c2nc(=S)sc1-2 ZINC001156878429 970019117 /nfs/dbraw/zinc/01/91/17/970019117.db2.gz VJQPYDNHHHWBJG-UHFFFAOYSA-N 0 1 240.357 2.221 20 0 BEADMN CC(C)n1cnc(CN[C@H]2CCSC2)c1 ZINC001255275443 970027379 /nfs/dbraw/zinc/02/73/79/970027379.db2.gz KOADPJYAQSSMEV-JTQLQIEISA-N 0 1 225.361 2.059 20 0 BEADMN O=C1c2ccccc2CC[C@@H]1N[C@@H]1CCSC1 ZINC001255278965 970030345 /nfs/dbraw/zinc/03/03/45/970030345.db2.gz KXOLGJYXLQJZMA-YPMHNXCESA-N 0 1 247.363 2.279 20 0 BEADMN CCC(C)=Nc1ncccc1N1CCOCC1 ZINC001210793495 970031137 /nfs/dbraw/zinc/03/11/37/970031137.db2.gz OHSNTLNCNJMWOO-QDEBKDIKSA-N 0 1 233.315 2.254 20 0 BEADMN C[C@]1(F)CCN([C@H]2CCSC2)C[C@H]1F ZINC001255281878 970036328 /nfs/dbraw/zinc/03/63/28/970036328.db2.gz GSJSETCUKPXGEZ-AEJSXWLSSA-N 0 1 221.316 2.264 20 0 BEADMN Cc1ncn(-c2ccccc2OC2CC2)c1N ZINC001210838244 970052354 /nfs/dbraw/zinc/05/23/54/970052354.db2.gz DCYMBFLKRAPYPQ-UHFFFAOYSA-N 0 1 229.283 2.304 20 0 BEADMN Cc1cc(NC[C@H]2COCCN2)cc(C)c1C ZINC001170043594 970064750 /nfs/dbraw/zinc/06/47/50/970064750.db2.gz JBWSPHGFIMULQK-AWEZNQCLSA-N 0 1 234.343 2.012 20 0 BEADMN N=CNc1cc(Cl)nc2ncccc12 ZINC001157079261 970080877 /nfs/dbraw/zinc/08/08/77/970080877.db2.gz VQCCFTYHVJGSCW-UHFFFAOYSA-N 0 1 206.636 2.302 20 0 BEADMN CCN(C)c1cc(C)nc(N2CCC[C@H]3C[C@H]32)n1 ZINC001157132292 970096906 /nfs/dbraw/zinc/09/69/06/970096906.db2.gz LZEVVLJXMQKIFY-NWDGAFQWSA-N 0 1 246.358 2.230 20 0 BEADMN CCCC[C@@H](C)N(CC)CC(=O)OCC ZINC001255331697 970112181 /nfs/dbraw/zinc/11/21/81/970112181.db2.gz CKWPIPSISIRUNM-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN Cc1ccc(-n2[nH]c(=O)c3ccc(N)cc32)nc1 ZINC001211013049 970115364 /nfs/dbraw/zinc/11/53/64/970115364.db2.gz YAIHXYKLYUGWDS-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN COC(=O)c1sccc1Nc1cncn1C ZINC001211245135 970188694 /nfs/dbraw/zinc/18/86/94/970188694.db2.gz KHCFNFXUWFTHFV-UHFFFAOYSA-N 0 1 237.284 2.012 20 0 BEADMN COc1cc(Cl)nc(Nc2cncn2C)c1 ZINC001211247035 970192777 /nfs/dbraw/zinc/19/27/77/970192777.db2.gz FRQXXGJBENZTRQ-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN COc1cc(Nc2cncn2C)cnc1Cl ZINC001211247016 970194828 /nfs/dbraw/zinc/19/48/28/970194828.db2.gz DWARTNURCJPAHB-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cc1ccnc(C)c1Nc1cncn1C ZINC001211246774 970195773 /nfs/dbraw/zinc/19/57/73/970195773.db2.gz QLKXDXWFUOAGGU-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN Fc1nc2nc[nH]c2c(-c2cnccc2Cl)n1 ZINC001243043439 970199766 /nfs/dbraw/zinc/19/97/66/970199766.db2.gz CGPOKXIGTTVYFQ-UHFFFAOYSA-N 0 1 249.636 2.159 20 0 BEADMN Cc1cc2c(ccc(N)c2F)n1-c1cncn1C ZINC001211252072 970199806 /nfs/dbraw/zinc/19/98/06/970199806.db2.gz YCZGJFRIGXZGQO-UHFFFAOYSA-N 0 1 244.273 2.394 20 0 BEADMN Cn1cncc1Nc1cccc2nnsc21 ZINC001211252726 970200553 /nfs/dbraw/zinc/20/05/53/970200553.db2.gz WXZGAJOAXZBMCS-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN COc1cc(Nc2ccncc2OC)ccc1F ZINC001211260110 970202450 /nfs/dbraw/zinc/20/24/50/970202450.db2.gz IJKUEAPAVFTYMV-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN Clc1ccc(CN2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000167412426 970206053 /nfs/dbraw/zinc/20/60/53/970206053.db2.gz HUPYUKCKZIPQPU-NXEZZACHSA-N 0 1 237.734 2.362 20 0 BEADMN COc1cnccc1Nc1ccc(F)c(O)c1 ZINC001211260617 970210582 /nfs/dbraw/zinc/21/05/82/970210582.db2.gz NXONESNFMIVQSY-UHFFFAOYSA-N 0 1 234.230 2.100 20 0 BEADMN COc1cnccc1Nc1ccc2oncc2c1 ZINC001211263692 970210652 /nfs/dbraw/zinc/21/06/52/970210652.db2.gz ZIJFIFPDEHNJRN-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN COc1cnccc1Nc1c(C)ccnc1C ZINC001211260989 970211425 /nfs/dbraw/zinc/21/14/25/970211425.db2.gz YVEJPZZLPMIVCW-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN CC(C)CCC[C@H](C)N1CC(=O)NC[C@H]1C ZINC001170087356 970212353 /nfs/dbraw/zinc/21/23/53/970212353.db2.gz DDLVXGNFNDXKAO-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN COc1cnccc1Nc1ccc(C(C)=O)cc1 ZINC001211262598 970213401 /nfs/dbraw/zinc/21/34/01/970213401.db2.gz HOYWVMLQPUOIEK-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN COc1cnccc1N(C)c1cccc(N)c1 ZINC001211265103 970218715 /nfs/dbraw/zinc/21/87/15/970218715.db2.gz NBESNQOUANFDHR-UHFFFAOYSA-N 0 1 229.283 2.440 20 0 BEADMN OCC1CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091478431 970235962 /nfs/dbraw/zinc/23/59/62/970235962.db2.gz RGAULOAUJUFSQH-UHFFFAOYSA-N 0 1 245.244 2.130 20 0 BEADMN Oc1cc(F)c(-c2ccc3nccn3n2)cc1F ZINC001211350500 970244459 /nfs/dbraw/zinc/24/44/59/970244459.db2.gz PZSWUANKVSAWBG-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Cc1nc(-c2cncn2C)cc2[nH]ccc21 ZINC001243065075 970248539 /nfs/dbraw/zinc/24/85/39/970248539.db2.gz LTSRZKOQDBZRHJ-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1nc2ccc(-c3cncn3C)cc2[nH]1 ZINC001243069591 970264680 /nfs/dbraw/zinc/26/46/80/970264680.db2.gz USFQCJWGCSIYOU-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000300343853 970282986 /nfs/dbraw/zinc/28/29/86/970282986.db2.gz JNBOLIHWRRENLC-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN CC1(C)C[C@@H](N2C[C@@H](F)C[C@H]2CF)CCO1 ZINC001255536955 970307545 /nfs/dbraw/zinc/30/75/45/970307545.db2.gz RTFIVBOOAVWVHG-DCAQKATOSA-N 0 1 233.302 2.326 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2nccc(Cl)n2)C1 ZINC001170109402 970312658 /nfs/dbraw/zinc/31/26/58/970312658.db2.gz PGAKZBODARIJSY-RKDXNWHRSA-N 0 1 225.723 2.408 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@H](C)C1)c1ncc(F)cn1 ZINC001170108605 970315851 /nfs/dbraw/zinc/31/58/51/970315851.db2.gz DKKIPMIREGKAKV-IQJOONFLSA-N 0 1 223.295 2.455 20 0 BEADMN CN(Cc1ccon1)[C@H]1CCOC(C)(C)C1 ZINC001255545956 970316095 /nfs/dbraw/zinc/31/60/95/970316095.db2.gz LMMAJOVCKHUGBI-NSHDSACASA-N 0 1 224.304 2.064 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2NC(=O)c3ccccc32)C1 ZINC001170110691 970318085 /nfs/dbraw/zinc/31/80/85/970318085.db2.gz ZVVOBTSZPAIGOM-NRUUGDAUSA-N 0 1 230.311 2.207 20 0 BEADMN Nc1cncn1-c1ccc(C2CC2)cc1F ZINC001213457128 970318675 /nfs/dbraw/zinc/31/86/75/970318675.db2.gz MATSADDDXGQERE-UHFFFAOYSA-N 0 1 217.247 2.471 20 0 BEADMN COC[C@H](C)NCc1ccc(F)c(OC)c1F ZINC001255558735 970340024 /nfs/dbraw/zinc/34/00/24/970340024.db2.gz UHNYLCNDUWUXNZ-QMMMGPOBSA-N 0 1 245.269 2.098 20 0 BEADMN C[C@@H]1CC[C@@H](n2c(CN)nc3cnccc32)C1 ZINC001170119463 970343794 /nfs/dbraw/zinc/34/37/94/970343794.db2.gz BGECOPVQBGETOZ-NXEZZACHSA-N 0 1 230.315 2.251 20 0 BEADMN COC[C@@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001255579479 970381284 /nfs/dbraw/zinc/38/12/84/970381284.db2.gz UVNREJLDNIWALM-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN CCCCCN1CCN(C(=O)[C@H](F)CC)CC1 ZINC001113199788 970381486 /nfs/dbraw/zinc/38/14/86/970381486.db2.gz KGHACUJTOZMDDN-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN C[C@@H](CC(F)(F)F)NC1(c2cnn(C)c2)CC1 ZINC001255634917 970410215 /nfs/dbraw/zinc/41/02/15/970410215.db2.gz LWMIIZOHRNULMF-QMMMGPOBSA-N 0 1 247.264 2.340 20 0 BEADMN CC(C)N1CC(Nc2nccc3cnccc32)C1 ZINC001157532137 970412792 /nfs/dbraw/zinc/41/27/92/970412792.db2.gz UGWHHOJTONUWRD-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CCCOc1cc(F)ccc1-n1cncc1N ZINC001214079511 970429506 /nfs/dbraw/zinc/42/95/06/970429506.db2.gz DERPEURHDYQJBO-UHFFFAOYSA-N 0 1 235.262 2.382 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609642060 970432124 /nfs/dbraw/zinc/43/21/24/970432124.db2.gz BYGUSDSPZQDZCB-KOLCDFICSA-N 0 1 235.283 2.280 20 0 BEADMN Cc1cc(N)ccc1Nc1ccnc(CO)c1 ZINC001214110360 970433574 /nfs/dbraw/zinc/43/35/74/970433574.db2.gz TXRWMHBRGULDSJ-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN C[C@H](CSc1ccc(F)cc1)NC1COC1 ZINC001255722936 970468214 /nfs/dbraw/zinc/46/82/14/970468214.db2.gz CXGIVJPRDOCCHA-SECBINFHSA-N 0 1 241.331 2.295 20 0 BEADMN Cc1ccc(C[C@@H](C)n2ccnc2CN)cc1 ZINC001255774011 970480820 /nfs/dbraw/zinc/48/08/20/970480820.db2.gz TTWHSRWMYDMGQI-GFCCVEGCSA-N 0 1 229.327 2.454 20 0 BEADMN COc1cnnc(-c2ccc(O)c(F)c2F)c1 ZINC001243337828 970482082 /nfs/dbraw/zinc/48/20/82/970482082.db2.gz DJQUUSSFPPQYHV-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccc(C)cc1 ZINC001255781826 970487384 /nfs/dbraw/zinc/48/73/84/970487384.db2.gz RUHHXPFIYBDWIL-CQSZACIVSA-N 0 1 233.379 2.411 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H](C)Cc1ccc(C)cc1 ZINC001255781826 970487388 /nfs/dbraw/zinc/48/73/88/970487388.db2.gz RUHHXPFIYBDWIL-CQSZACIVSA-N 0 1 233.379 2.411 20 0 BEADMN Cc1ccc(C[C@H](C)N2CCO[C@H]3C[C@H]32)cc1 ZINC001255798167 970496199 /nfs/dbraw/zinc/49/61/99/970496199.db2.gz YEVSMMVFGANZIT-CFVMTHIKSA-N 0 1 231.339 2.399 20 0 BEADMN CCc1coc(CN[C@@H]2CCO[C@@H](CC)C2)n1 ZINC001170161300 970503769 /nfs/dbraw/zinc/50/37/69/970503769.db2.gz NLNVDXLVOQTNSF-NEPJUHHUSA-N 0 1 238.331 2.284 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)c(CO)c1 ZINC001214453197 970505859 /nfs/dbraw/zinc/50/58/59/970505859.db2.gz WTPDJAMSOMAKNO-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN Cc1nnc(SCc2ncccc2C)[nH]1 ZINC000179720393 970516788 /nfs/dbraw/zinc/51/67/88/970516788.db2.gz NOZXEGVGJRQESB-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1n[nH]c(SCc2ncccc2C)n1 ZINC000179720393 970516795 /nfs/dbraw/zinc/51/67/95/970516795.db2.gz NOZXEGVGJRQESB-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1nc(-c2ccncc2Cl)nc2nc[nH]c21 ZINC001243384232 970518185 /nfs/dbraw/zinc/51/81/85/970518185.db2.gz GMLSISUMGBONCH-UHFFFAOYSA-N 0 1 245.673 2.328 20 0 BEADMN Cc1cc(CO)ccc1Nc1ccnc(CO)c1 ZINC001214660962 970526016 /nfs/dbraw/zinc/52/60/16/970526016.db2.gz CTJXAWGAJKQWNH-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1ccc(F)cc1 ZINC001255865783 970527622 /nfs/dbraw/zinc/52/76/22/970527622.db2.gz XULZGAXCBVQVPS-LBPRGKRZSA-N 0 1 237.342 2.242 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccc(F)cc1 ZINC001255865783 970527627 /nfs/dbraw/zinc/52/76/27/970527627.db2.gz XULZGAXCBVQVPS-LBPRGKRZSA-N 0 1 237.342 2.242 20 0 BEADMN Cc1cc(-c2cccc3[nH]nnc32)cnc1F ZINC001243399105 970538017 /nfs/dbraw/zinc/53/80/17/970538017.db2.gz RLPYIDJCYVBXLA-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COCOc1c(C)cccc1Nc1cncn1C ZINC001214846891 970543351 /nfs/dbraw/zinc/54/33/51/970543351.db2.gz QOEKTSQWMDMKPD-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN CC[C@H]1C[C@@H](N(C)Cc2ccon2)CCO1 ZINC001170233984 970611181 /nfs/dbraw/zinc/61/11/81/970611181.db2.gz HQNICSWIIGYUCS-RYUDHWBXSA-N 0 1 224.304 2.064 20 0 BEADMN CC[C@@H]1C[C@@H](N2CC(OC(C)C)C2)CCO1 ZINC001170240456 970617689 /nfs/dbraw/zinc/61/76/89/970617689.db2.gz QKORDSCSCSUMNZ-NWDGAFQWSA-N 0 1 227.348 2.053 20 0 BEADMN COc1cccc(C[C@@H](C)N2CCO[C@H](C)C2)c1 ZINC001256159138 970678479 /nfs/dbraw/zinc/67/84/79/970678479.db2.gz FVICSPYNFNAMOQ-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1c(N)cccc1F)[C@H]1CCCOC1 ZINC000401379689 970686219 /nfs/dbraw/zinc/68/62/19/970686219.db2.gz IISUTABHXVMRJV-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN CC[C@H]1CCCC[C@H]1C[N@@H+](C)CC(=O)[O-] ZINC000401441324 970692196 /nfs/dbraw/zinc/69/21/96/970692196.db2.gz LTQXJXASYCNMQY-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cccc(CN[C@H]2CCCc3n[nH]cc32)n1 ZINC000401766431 970726584 /nfs/dbraw/zinc/72/65/84/970726584.db2.gz YSNUQIDFENCOCN-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1c(O)cccc1CN1CC[C@@]12CCOC2 ZINC001144122033 972595572 /nfs/dbraw/zinc/59/55/72/972595572.db2.gz SOGOQSWVDLOUOW-AWEZNQCLSA-N 0 1 233.311 2.065 20 0 BEADMN Oc1ccc(CN2CC[C@@]3(CC3(F)F)C2)nc1 ZINC001144259184 972706534 /nfs/dbraw/zinc/70/65/34/972706534.db2.gz LVOJZQQWMKVPRR-LLVKDONJSA-N 0 1 240.253 2.018 20 0 BEADMN CCC1(C)CN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001327721868 972709701 /nfs/dbraw/zinc/70/97/01/972709701.db2.gz JXPGHPXOZXMXPE-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN FCCCCCSCc1nnc[nH]1 ZINC001327713709 972710284 /nfs/dbraw/zinc/71/02/84/972710284.db2.gz GRCYPHQOIBMNIV-UHFFFAOYSA-N 0 1 203.286 2.178 20 0 BEADMN CCC[C@@H]([NH2+]Cc1ncc(CC)s1)C(=O)[O-] ZINC000394706993 972744001 /nfs/dbraw/zinc/74/40/01/972744001.db2.gz NTDKRTQBYCAHSG-SECBINFHSA-N 0 1 242.344 2.048 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CCC[C@H]1C ZINC001144328685 972765615 /nfs/dbraw/zinc/76/56/15/972765615.db2.gz CTDTYJSOQSMJIY-SNVBAGLBSA-N 0 1 236.315 2.176 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CC2CC(C2)C1 ZINC001144336280 972773247 /nfs/dbraw/zinc/77/32/47/972773247.db2.gz HQFVESJAGPWNLT-UHFFFAOYSA-N 0 1 248.326 2.033 20 0 BEADMN Clc1ccc([C@H]2CCN2Cc2nnc[nH]2)cc1 ZINC001327870859 972776952 /nfs/dbraw/zinc/77/69/52/972776952.db2.gz PORQWFBALSSEHV-LLVKDONJSA-N 0 1 248.717 2.405 20 0 BEADMN CCCC(=O)[C@H](CCC)OCc1cnc[nH]1 ZINC001223000463 972792673 /nfs/dbraw/zinc/79/26/73/972792673.db2.gz NNEKPBXHRVIQLS-LBPRGKRZSA-N 0 1 224.304 2.464 20 0 BEADMN CC(C)Oc1cncc(COCc2cnc[nH]2)c1 ZINC001223007407 972798878 /nfs/dbraw/zinc/79/88/78/972798878.db2.gz KHLIJSVHEZHUGO-UHFFFAOYSA-N 0 1 247.298 2.309 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1cccnc1 ZINC001223001859 972799104 /nfs/dbraw/zinc/79/91/04/972799104.db2.gz MSDYLHQRHYKLFV-SECBINFHSA-N 0 1 203.245 2.083 20 0 BEADMN c1ncc(CO[C@@H](c2cccnc2)C2CC2)[nH]1 ZINC001223007383 972799761 /nfs/dbraw/zinc/79/97/61/972799761.db2.gz JPRJTRDWSIRHJG-CYBMUJFWSA-N 0 1 229.283 2.473 20 0 BEADMN c1ncc(CO[C@@H]2CCc3ccccc3C2)[nH]1 ZINC001223006530 972800382 /nfs/dbraw/zinc/80/03/82/972800382.db2.gz AFJQOTYOEUFNCD-CQSZACIVSA-N 0 1 228.295 2.484 20 0 BEADMN Cc1cc(CN2CCC[C@@H](CCF)C2)[nH]n1 ZINC001327908954 972803485 /nfs/dbraw/zinc/80/34/85/972803485.db2.gz VSQMSRCUDOZDMB-NSHDSACASA-N 0 1 225.311 2.290 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1OCc1nn[nH]n1 ZINC001223026948 972806769 /nfs/dbraw/zinc/80/67/69/972806769.db2.gz KJSOIUKQEGQHTA-NXEZZACHSA-N 0 1 224.308 2.075 20 0 BEADMN COc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)nc1 ZINC001144430312 972812460 /nfs/dbraw/zinc/81/24/60/972812460.db2.gz CQJHMTOUGUGHEZ-GAFUQQFSSA-N 0 1 236.290 2.023 20 0 BEADMN Cc1ccc([C@H](C)C(=O)NCc2cnc[nH]2)cc1 ZINC001144443376 972823084 /nfs/dbraw/zinc/82/30/84/972823084.db2.gz ZLOGCVVOJCZZND-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN CO[C@H](CSc1nnc(C)[nH]1)C1CCC1 ZINC001328023176 972851437 /nfs/dbraw/zinc/85/14/37/972851437.db2.gz UZAXDDCLCCXOBG-SECBINFHSA-N 0 1 227.333 2.020 20 0 BEADMN c1nc(CN2CCCCC2)c2ccccn12 ZINC001144611381 972885245 /nfs/dbraw/zinc/88/52/45/972885245.db2.gz MOGOTRLTFCJFSQ-UHFFFAOYSA-N 0 1 215.300 2.320 20 0 BEADMN c1nc(CN2CCC[C@H]3C[C@H]32)c2ccccn12 ZINC001144625974 972889069 /nfs/dbraw/zinc/88/90/69/972889069.db2.gz XCPPPEGZDAUPPW-SMDDNHRTSA-N 0 1 227.311 2.319 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCCC3(CC3)C2)[nH]1 ZINC001328184193 972894198 /nfs/dbraw/zinc/89/41/98/972894198.db2.gz SQMROQBNGJHOSV-SECBINFHSA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCCC3(CC3)C2)n1 ZINC001328184193 972894204 /nfs/dbraw/zinc/89/42/04/972894204.db2.gz SQMROQBNGJHOSV-SECBINFHSA-N 0 1 248.330 2.276 20 0 BEADMN COCCN(Cc1ncn2ccccc12)C(C)C ZINC001144622622 972895963 /nfs/dbraw/zinc/89/59/63/972895963.db2.gz LDBHQVHEBLHWKC-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN CCC[N@@H+](C)Cc1sccc1C(=O)[O-] ZINC001144664595 972927094 /nfs/dbraw/zinc/92/70/94/972927094.db2.gz KQPSTJBUAOSWJY-UHFFFAOYSA-N 0 1 213.302 2.288 20 0 BEADMN F[C@@H]1CCC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC001328387148 973009403 /nfs/dbraw/zinc/00/94/03/973009403.db2.gz JKNBOBNGEVKNEV-IVZWLZJFSA-N 0 1 239.294 2.490 20 0 BEADMN Fc1ccc(C2(NCc3nnc[nH]3)CCC2)cc1 ZINC001328393722 973016288 /nfs/dbraw/zinc/01/62/88/973016288.db2.gz JAHNDERXAMRBDI-UHFFFAOYSA-N 0 1 246.289 2.113 20 0 BEADMN C[C@H]1C[C@H](Nc2cc(C(=O)[O-])cc[nH+]2)CS1 ZINC000397822121 973023955 /nfs/dbraw/zinc/02/39/55/973023955.db2.gz FCWLLMQZXSIGMD-CBAPKCEASA-N 0 1 238.312 2.086 20 0 BEADMN Cc1cc2[nH]ccc2c(N2C=C(N)C=CC2)n1 ZINC001160881415 973098059 /nfs/dbraw/zinc/09/80/59/973098059.db2.gz DTQOJDOABKCWJI-UHFFFAOYSA-N 0 1 226.283 2.048 20 0 BEADMN CCC1(CNc2ccnc(N)n2)CCC1 ZINC000232974623 973121475 /nfs/dbraw/zinc/12/14/75/973121475.db2.gz LVOACXIEKWLXMM-UHFFFAOYSA-N 0 1 206.293 2.051 20 0 BEADMN CCCN(CCC)C(=O)c1[nH]nc2ccncc21 ZINC000170246375 973178446 /nfs/dbraw/zinc/17/84/46/973178446.db2.gz KAAIECIQFMSQGP-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc([S-])cc1 ZINC001276905379 973198585 /nfs/dbraw/zinc/19/85/85/973198585.db2.gz PRIRHPMGPSQDJP-KBPBESRZSA-N 0 1 248.395 2.254 20 0 BEADMN C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc([S-])cc1 ZINC001276905379 973198599 /nfs/dbraw/zinc/19/85/99/973198599.db2.gz PRIRHPMGPSQDJP-KBPBESRZSA-N 0 1 248.395 2.254 20 0 BEADMN C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc([S-])cc1 ZINC001276905379 973198609 /nfs/dbraw/zinc/19/86/09/973198609.db2.gz PRIRHPMGPSQDJP-KBPBESRZSA-N 0 1 248.395 2.254 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C/C(C)=C\C(=O)[O-] ZINC000399522616 973223472 /nfs/dbraw/zinc/22/34/72/973223472.db2.gz KLODEEKGTQYXOS-ALTINICFSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000399579761 973227839 /nfs/dbraw/zinc/22/78/39/973227839.db2.gz RHPVVFDMRRNQJS-KXUCPTDWSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1occc1C(=O)[O-] ZINC000399604580 973229925 /nfs/dbraw/zinc/22/99/25/973229925.db2.gz ZVNJIEPHAVONFV-KXUCPTDWSA-N 0 1 237.299 2.454 20 0 BEADMN CC1(C)CN(Cc2cnc3n2CCC3)C1(C)C ZINC001328748837 973326650 /nfs/dbraw/zinc/32/66/50/973326650.db2.gz YDZFSNNLUPWEDC-UHFFFAOYSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H](O[C@@H]1CN2CCC1CC2)c1nccs1 ZINC001224003951 973392056 /nfs/dbraw/zinc/39/20/56/973392056.db2.gz PIJSDIAGRKNICM-GXSJLCMTSA-N 0 1 238.356 2.315 20 0 BEADMN CC(=O)c1ccc(CN(C[C@@H](C)O)C2CC2)cc1 ZINC001329019303 973433888 /nfs/dbraw/zinc/43/38/88/973433888.db2.gz UNWAITUJCAIMRO-LLVKDONJSA-N 0 1 247.338 2.234 20 0 BEADMN CC1(C)CC[C@H](Nc2ncnc3c2CCNC3)C1 ZINC001161032655 973474829 /nfs/dbraw/zinc/47/48/29/973474829.db2.gz SHRAPBMZXIOZLN-JTQLQIEISA-N 0 1 246.358 2.113 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403256479 973669423 /nfs/dbraw/zinc/66/94/23/973669423.db2.gz WGPJTQPKHXBCNR-NMKXLXIOSA-N 0 1 237.343 2.219 20 0 BEADMN Cc1cc(CCC(=O)N(C(C)C)C2CCC2)n[nH]1 ZINC001147584960 973670271 /nfs/dbraw/zinc/67/02/71/973670271.db2.gz HDEIFQFHVCXIMA-UHFFFAOYSA-N 0 1 249.358 2.440 20 0 BEADMN CCCn1cc(CN[C@H]2CCC[C@@H](F)C2)nn1 ZINC001329349323 973692149 /nfs/dbraw/zinc/69/21/49/973692149.db2.gz MJDVCKGMTGSPNN-MNOVXSKESA-N 0 1 240.326 2.058 20 0 BEADMN COc1ccc(NCc2cc(C)[nH]n2)c(F)c1 ZINC001329348369 973695366 /nfs/dbraw/zinc/69/53/66/973695366.db2.gz DYFGBGYQNZXEEX-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CCC(CC)(CC)C(=O)OCc1nnc[nH]1 ZINC001329423572 973760389 /nfs/dbraw/zinc/76/03/89/973760389.db2.gz PXCKSBRNGDHYRF-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(O)c(F)c2)C1 ZINC000234817954 973764600 /nfs/dbraw/zinc/76/46/00/973764600.db2.gz YFLDAYZMBCPNFK-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC001147860855 973779278 /nfs/dbraw/zinc/77/92/78/973779278.db2.gz KSWINPRQWDKBKO-JQWIXIFHSA-N 0 1 249.358 2.298 20 0 BEADMN CN1C[C@H]2C[C@@H](C1)N2c1cnc2ccccc2c1 ZINC001276984669 973797312 /nfs/dbraw/zinc/79/73/12/973797312.db2.gz FIKMGSVURRRNEQ-OKILXGFUSA-N 0 1 239.322 2.128 20 0 BEADMN CC(C)c1cccc(C(=O)OCc2nnc[nH]2)c1 ZINC001329549009 973822069 /nfs/dbraw/zinc/82/20/69/973822069.db2.gz SASAKDCKZICYPP-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN COC(=O)CN(CC(C)C)CC1(SC)CC1 ZINC001329757172 973914060 /nfs/dbraw/zinc/91/40/60/973914060.db2.gz RSUNZAYKMBXCPE-UHFFFAOYSA-N 0 1 245.388 2.013 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(F)c2C)no1 ZINC001247489646 973961253 /nfs/dbraw/zinc/96/12/53/973961253.db2.gz GKPWVTOACVGXAU-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CC(C)OC(=O)CN(CCC1CC1)CC1CC1 ZINC001329924922 974026555 /nfs/dbraw/zinc/02/65/55/974026555.db2.gz FKUMBSUIZAAEMT-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H]1CN([C@@H]2CCc3c(F)cccc3C2)CCO1 ZINC001171421918 974033677 /nfs/dbraw/zinc/03/36/77/974033677.db2.gz MVLNTCTZIQDHEA-DGCLKSJQSA-N 0 1 249.329 2.404 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCN3)n2)c(C)c1 ZINC001248284667 974066529 /nfs/dbraw/zinc/06/65/29/974066529.db2.gz AGTRNLHQXXBWCE-LLVKDONJSA-N 0 1 229.283 2.388 20 0 BEADMN NCc1nccnc1Nc1ccc(CF)cc1 ZINC001171450549 974073702 /nfs/dbraw/zinc/07/37/02/974073702.db2.gz TZEOINSFHHPRIM-UHFFFAOYSA-N 0 1 232.262 2.148 20 0 BEADMN Cc1cccc2c1CC[C@@H](n1ccnc1CN)C2 ZINC001171549861 974093054 /nfs/dbraw/zinc/09/30/54/974093054.db2.gz PRCCBHQMTIPLSR-CYBMUJFWSA-N 0 1 241.338 2.380 20 0 BEADMN CC(C)(C)OCCCSCc1nnc[nH]1 ZINC001330074282 974096085 /nfs/dbraw/zinc/09/60/85/974096085.db2.gz QDTHOTNYOCBLQF-UHFFFAOYSA-N 0 1 229.349 2.243 20 0 BEADMN Cc1cc(CN[C@H]2Cc3cccc(F)c3C2)no1 ZINC001171768617 974152740 /nfs/dbraw/zinc/15/27/40/974152740.db2.gz IPYRDJILJYEAIP-NSHDSACASA-N 0 1 246.285 2.379 20 0 BEADMN Cc1cc(CN[C@@H]2Cc3cccc(F)c3C2)no1 ZINC001171768616 974154053 /nfs/dbraw/zinc/15/40/53/974154053.db2.gz IPYRDJILJYEAIP-LLVKDONJSA-N 0 1 246.285 2.379 20 0 BEADMN CO[C@@H](CSc1nnc(C)[nH]1)C1CCCC1 ZINC001330256769 974189425 /nfs/dbraw/zinc/18/94/25/974189425.db2.gz IRVQNRLEQPUEEE-JTQLQIEISA-N 0 1 241.360 2.410 20 0 BEADMN Fc1cccc2c1C[C@H](N1CCCC13COC3)C2 ZINC001171805969 974192501 /nfs/dbraw/zinc/19/25/01/974192501.db2.gz VOEWGXCNDOCCGF-GFCCVEGCSA-N 0 1 247.313 2.158 20 0 BEADMN COc1cc(CN2CC3CCC2CC3)on1 ZINC001330559171 974311628 /nfs/dbraw/zinc/31/16/28/974311628.db2.gz LZEHGQQYAWQIMV-UHFFFAOYSA-N 0 1 222.288 2.058 20 0 BEADMN CC(C)(C)N1CCN(C(=O)OC2CCC2)CC1 ZINC001330597936 974344727 /nfs/dbraw/zinc/34/47/27/974344727.db2.gz GXNVUCKMJZXTDC-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN Cc1nonc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001248859402 974397885 /nfs/dbraw/zinc/39/78/85/974397885.db2.gz TZYCRWFXWLEGGH-NEPJUHHUSA-N 0 1 235.331 2.390 20 0 BEADMN c1cc(CN[C@@H]2CSc3ccccc3C2)on1 ZINC001172190367 974399758 /nfs/dbraw/zinc/39/97/58/974399758.db2.gz KXABLKYEGWGAMY-NSHDSACASA-N 0 1 246.335 2.481 20 0 BEADMN C[C@@H]1c2ccc(F)cc2CCN1Cc1nnc[nH]1 ZINC001330670660 974401254 /nfs/dbraw/zinc/40/12/54/974401254.db2.gz GUCJANFLJZRLPH-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN COc1ccc(O[C@H]2CCN(C)C2)c(Cl)c1 ZINC001225345455 974424512 /nfs/dbraw/zinc/42/45/12/974424512.db2.gz WXKNBSWILCVNJI-JTQLQIEISA-N 0 1 241.718 2.432 20 0 BEADMN CCc1coc(CNC2C[C@H]3CC[C@@H](C2)O3)n1 ZINC001172215954 974441934 /nfs/dbraw/zinc/44/19/34/974441934.db2.gz ASTDOWCHUDMXIR-YOGCLGLASA-N 0 1 236.315 2.037 20 0 BEADMN CN1CCC[C@@H](Oc2ccc3c(c2)C(=O)CC3)C1 ZINC001225361008 974445748 /nfs/dbraw/zinc/44/57/48/974445748.db2.gz LQHYDKIMBYZRAZ-CYBMUJFWSA-N 0 1 245.322 2.289 20 0 BEADMN CN1CCC[C@@H](Oc2ccc3c(c2)CCC3=O)C1 ZINC001225364234 974446729 /nfs/dbraw/zinc/44/67/29/974446729.db2.gz QZPRVBXWLJHSQZ-CYBMUJFWSA-N 0 1 245.322 2.289 20 0 BEADMN FC[C@@H]1C[C@H](F)CN1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221129 974453665 /nfs/dbraw/zinc/45/36/65/974453665.db2.gz HWTSCDQRLQIAJG-KGKQHWHQSA-N 0 1 231.286 2.078 20 0 BEADMN CC1(C)C[C@H](NC2(c3ccccn3)CC2)CO1 ZINC001172275649 974493084 /nfs/dbraw/zinc/49/30/84/974493084.db2.gz YANFLOWMACEEBN-NSHDSACASA-N 0 1 232.327 2.228 20 0 BEADMN CC1(C)C[C@H](NCOc2ccccc2)CO1 ZINC001172278838 974536618 /nfs/dbraw/zinc/53/66/18/974536618.db2.gz YCIVIWWGEJCRJO-NSHDSACASA-N 0 1 221.300 2.180 20 0 BEADMN CC1(C)C[C@@H](NCc2cn(C3CCC3)cn2)CO1 ZINC001172281238 974538865 /nfs/dbraw/zinc/53/88/65/974538865.db2.gz QFFNUVQYLBKIBI-LLVKDONJSA-N 0 1 249.358 2.265 20 0 BEADMN CC1(C)C[C@@H](N2CCc3occc3C2)CO1 ZINC001172288368 974556123 /nfs/dbraw/zinc/55/61/23/974556123.db2.gz HMZPZCMIWVHNIB-LLVKDONJSA-N 0 1 221.300 2.205 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC001331030005 974564810 /nfs/dbraw/zinc/56/48/10/974564810.db2.gz HXPDOWQVVBBPSC-SUHUHFCYSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cn(C)nc1Cl ZINC001331067821 974586536 /nfs/dbraw/zinc/58/65/36/974586536.db2.gz PFWIKTAKGGYNIQ-MRVPVSSYSA-N 0 1 227.739 2.304 20 0 BEADMN CCN1CC[C@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618363 974597068 /nfs/dbraw/zinc/59/70/68/974597068.db2.gz MKHSWUJDODFKNJ-NSHDSACASA-N 0 1 245.322 2.289 20 0 BEADMN CC[C@@H](CC(C)C)n1c(C)nnc1CN ZINC001172402617 974655580 /nfs/dbraw/zinc/65/55/80/974655580.db2.gz SYWBDZHRODEHJK-JTQLQIEISA-N 0 1 210.325 2.042 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172367700 974649260 /nfs/dbraw/zinc/64/92/60/974649260.db2.gz MOMAIVJMIQOXBK-JHJVBQTASA-N 0 1 211.373 2.296 20 0 BEADMN CC[C@H](CC(C)C)n1c(C)nnc1CN ZINC001172402620 974653670 /nfs/dbraw/zinc/65/36/70/974653670.db2.gz SYWBDZHRODEHJK-SNVBAGLBSA-N 0 1 210.325 2.042 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H]2C(C)C)[nH]1 ZINC001331332395 974687036 /nfs/dbraw/zinc/68/70/36/974687036.db2.gz BAWRGFWOLUNDGK-NSHDSACASA-N 0 1 235.331 2.404 20 0 BEADMN Cc1ccnc(CN[C@H](C)CCOC(C)C)n1 ZINC001172430431 974713698 /nfs/dbraw/zinc/71/36/98/974713698.db2.gz GUYJEHAEILZSFR-LLVKDONJSA-N 0 1 237.347 2.078 20 0 BEADMN CN1CCC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001225901932 974723617 /nfs/dbraw/zinc/72/36/17/974723617.db2.gz YRBBEMXCIWJEJD-SNVBAGLBSA-N 0 1 227.254 2.438 20 0 BEADMN COC1CCC(Oc2cccc3[nH]nnc32)CC1 ZINC001225990716 974751562 /nfs/dbraw/zinc/75/15/62/974751562.db2.gz HZZIAYCBXCTZPQ-UHFFFAOYSA-N 0 1 247.298 2.294 20 0 BEADMN CCCOC[C@H](C)Oc1cccc2[nH]nnc21 ZINC001225991212 974754127 /nfs/dbraw/zinc/75/41/27/974754127.db2.gz WSJZKLFVPICQBX-VIFPVBQESA-N 0 1 235.287 2.152 20 0 BEADMN C1=C[C@@H](Oc2cccc3[nH]nnc32)CC1 ZINC001225991206 974754572 /nfs/dbraw/zinc/75/45/72/974754572.db2.gz WRVMYFXZYYVAID-MRVPVSSYSA-N 0 1 201.229 2.055 20 0 BEADMN C[C@H]1CN(Cc2cnc[nH]2)c2cccc(F)c2O1 ZINC001331550963 974759192 /nfs/dbraw/zinc/75/91/92/974759192.db2.gz XVRNRZIPJQFZIL-VIFPVBQESA-N 0 1 247.273 2.336 20 0 BEADMN CCN1CC[C@@H](Oc2cc(C(C)=O)ccc2O)C1 ZINC001225999361 974760059 /nfs/dbraw/zinc/76/00/59/974760059.db2.gz WLMOQQKNJCMQKG-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1ccc(O)c(OC2CCN(C)CC2)c1 ZINC001225999544 974760263 /nfs/dbraw/zinc/76/02/63/974760263.db2.gz XNCQRDYHPNSYQM-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN Cc1cc(=O)[nH]c(OC2CCC(C)CC2)n1 ZINC001226155047 974811251 /nfs/dbraw/zinc/81/12/51/974811251.db2.gz CGOCEOFTCPPRPB-UHFFFAOYSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCC[C@H](C)C2)n1 ZINC001226156237 974811429 /nfs/dbraw/zinc/81/14/29/974811429.db2.gz KYYVJZMVYDIKFC-WPRPVWTQSA-N 0 1 222.288 2.448 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCc2ncncc2C1 ZINC001172448489 974811400 /nfs/dbraw/zinc/81/14/00/974811400.db2.gz MQJJFEMMHIYLHI-GFCCVEGCSA-N 0 1 249.358 2.038 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2cccnc2)n1 ZINC001226155662 974812267 /nfs/dbraw/zinc/81/22/67/974812267.db2.gz GMVGAEOXYDMIPX-SECBINFHSA-N 0 1 231.255 2.026 20 0 BEADMN Cc1cc(=O)[nH]c(OC2CCC(F)(F)CC2)n1 ZINC001226156903 974812427 /nfs/dbraw/zinc/81/24/27/974812427.db2.gz SUOWQXQBVOMJRH-UHFFFAOYSA-N 0 1 244.241 2.447 20 0 BEADMN Cc1cc(CN[C@H]2C[C@@]2(F)c2ccccc2)n[nH]1 ZINC001331838201 974832116 /nfs/dbraw/zinc/83/21/16/974832116.db2.gz PBWVBMPXDZLCNQ-UONOGXRCSA-N 0 1 245.301 2.445 20 0 BEADMN CC1(C)C[C@H](Oc2n[nH]c3ncccc23)CCO1 ZINC001226301631 974849156 /nfs/dbraw/zinc/84/91/56/974849156.db2.gz CSNFULUQBYTNRP-SECBINFHSA-N 0 1 247.298 2.294 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@H]2Oc1n[nH]c2ncccc12 ZINC001226301449 974849716 /nfs/dbraw/zinc/84/97/16/974849716.db2.gz ADOMLQBNZPHLPW-IQJOONFLSA-N 0 1 227.267 2.301 20 0 BEADMN c1cnc2[nH]nc(O[C@@H]3C=CCCC3)c2c1 ZINC001226301831 974850206 /nfs/dbraw/zinc/85/02/06/974850206.db2.gz GIIXFALEWVXLMU-SECBINFHSA-N 0 1 215.256 2.445 20 0 BEADMN O=c1ccnc(O[C@@H]2CCCc3cccnc32)[nH]1 ZINC001226325168 974857063 /nfs/dbraw/zinc/85/70/63/974857063.db2.gz XUHORRNKJBXPFK-SNVBAGLBSA-N 0 1 243.266 2.034 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2ccccc2)no1 ZINC001212668499 974867385 /nfs/dbraw/zinc/86/73/85/974867385.db2.gz BAKCTLBYKUWVBM-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN Cc1cn[nH]c1CSCc1cn(C)nc1C ZINC001331952467 974884917 /nfs/dbraw/zinc/88/49/17/974884917.db2.gz OTAUXLRRZIAAMP-UHFFFAOYSA-N 0 1 236.344 2.193 20 0 BEADMN Nc1cc(OC[C@@H]2CCCO2)c2ccccc2n1 ZINC001226418184 974891452 /nfs/dbraw/zinc/89/14/52/974891452.db2.gz IYHRJSWRAZLTOM-JTQLQIEISA-N 0 1 244.294 2.375 20 0 BEADMN Nc1cc(OC[C@H]2CCCO2)c2ccccc2n1 ZINC001226418185 974892390 /nfs/dbraw/zinc/89/23/90/974892390.db2.gz IYHRJSWRAZLTOM-SNVBAGLBSA-N 0 1 244.294 2.375 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2cccnc2C)no1 ZINC001212678461 974906534 /nfs/dbraw/zinc/90/65/34/974906534.db2.gz AKYHZBTWCLHRAE-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN Cc1c(C(=O)N(C)CCCF)ccc2cncn21 ZINC001332010185 974918115 /nfs/dbraw/zinc/91/81/15/974918115.db2.gz IZGWBJAURUKQEK-UHFFFAOYSA-N 0 1 249.289 2.074 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1ccc(CN)o1 ZINC001332013134 974920130 /nfs/dbraw/zinc/92/01/30/974920130.db2.gz NETSKZQFEAKYDJ-SNVBAGLBSA-N 0 1 238.331 2.294 20 0 BEADMN CC(=O)CN(C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172712590 974924618 /nfs/dbraw/zinc/92/46/18/974924618.db2.gz AQTWJGRBFXVIEG-CYBMUJFWSA-N 0 1 237.730 2.328 20 0 BEADMN Fc1ccc2nc(O[C@@H]3CCCOC3)[nH]c2c1 ZINC001226700953 975034219 /nfs/dbraw/zinc/03/42/19/975034219.db2.gz HMRMOACFKPHDSQ-SECBINFHSA-N 0 1 236.246 2.260 20 0 BEADMN CN1CC[C@@H](Oc2cccc(O)c2Cl)C1 ZINC001226710472 975035756 /nfs/dbraw/zinc/03/57/56/975035756.db2.gz AGJOHBBXBGWFQD-MRVPVSSYSA-N 0 1 227.691 2.129 20 0 BEADMN Cn1ccc(-c2nc(CNC3(C)CC3)cs2)n1 ZINC001332334928 975060410 /nfs/dbraw/zinc/06/04/10/975060410.db2.gz HYWLSUBOMYZJPA-UHFFFAOYSA-N 0 1 248.355 2.186 20 0 BEADMN CC(C)[C@@H](C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226783370 975081150 /nfs/dbraw/zinc/08/11/50/975081150.db2.gz XANYUWZPEUTXOJ-ZCFIWIBFSA-N 0 1 238.316 2.065 20 0 BEADMN CC[C@H]1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC001173272617 975146080 /nfs/dbraw/zinc/14/60/80/975146080.db2.gz KATREEBDMSGBCI-NWDGAFQWSA-N 0 1 219.332 2.487 20 0 BEADMN C=CC(=O)OC[C@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226927750 975154812 /nfs/dbraw/zinc/15/48/12/975154812.db2.gz APPOXBDPEVBSND-VIFPVBQESA-N 0 1 246.266 2.059 20 0 BEADMN c1nc2ccc(OC3CC4(COC4)C3)cc2[nH]1 ZINC001226927746 975155687 /nfs/dbraw/zinc/15/56/87/975155687.db2.gz APLDKKYRQZJJJG-UHFFFAOYSA-N 0 1 230.267 2.121 20 0 BEADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1ncccn1 ZINC001226925211 975156863 /nfs/dbraw/zinc/15/68/63/975156863.db2.gz SEFVYSYWLKXKLI-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C[C@H]1OCC[C@H]1COc1ccc2nc[nH]c2c1 ZINC001226925329 975157421 /nfs/dbraw/zinc/15/74/21/975157421.db2.gz UWDVHWHJTVBQHP-ZJUUUORDSA-N 0 1 232.283 2.367 20 0 BEADMN CC[C@H]1CC[C@H](N2CC(=O)N(CC)C[C@H]2C)C1 ZINC001173293011 975167677 /nfs/dbraw/zinc/16/76/77/975167677.db2.gz JGJGZXBIRVUZKV-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CC[C@@H](N2CC(=O)N(CC)C[C@H]2C)C1 ZINC001173293012 975168695 /nfs/dbraw/zinc/16/86/95/975168695.db2.gz JGJGZXBIRVUZKV-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2cn(C3CC3)nn2)C1 ZINC001332526440 975195524 /nfs/dbraw/zinc/19/55/24/975195524.db2.gz UJVJZQMEEKZBRR-GFCCVEGCSA-N 0 1 248.374 2.481 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977060 975200271 /nfs/dbraw/zinc/20/02/71/975200271.db2.gz UYIMEQYSQAISQT-RKDXNWHRSA-N 0 1 247.298 2.132 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000823 975215676 /nfs/dbraw/zinc/21/56/76/975215676.db2.gz SPORGAXBWQWTSH-HTQZYQBOSA-N 0 1 226.276 2.004 20 0 BEADMN CCSC[C@H](C)N1CCC(=O)C(C)(C)C1 ZINC001173311407 975219213 /nfs/dbraw/zinc/21/92/13/975219213.db2.gz LYZDIKZTGIAOOF-JTQLQIEISA-N 0 1 229.389 2.429 20 0 BEADMN CCSC[C@@H](C)N1CCC(=O)C(C)(C)C1 ZINC001173311408 975222098 /nfs/dbraw/zinc/22/20/98/975222098.db2.gz LYZDIKZTGIAOOF-SNVBAGLBSA-N 0 1 229.389 2.429 20 0 BEADMN CCn1cc(CN2CCC[C@@H](C(C)C)C2)nn1 ZINC001332799156 975286472 /nfs/dbraw/zinc/28/64/72/975286472.db2.gz MZVDUTFOCAFDJR-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncccn1)[C@@H]1CCCO1 ZINC001332865474 975299569 /nfs/dbraw/zinc/29/95/69/975299569.db2.gz GELDGQIXVGTZCI-SRVKXCTJSA-N 0 1 235.331 2.085 20 0 BEADMN CC[C@H](CO)NC(C)(C)c1ncc(C)s1 ZINC001332883921 975306485 /nfs/dbraw/zinc/30/64/85/975306485.db2.gz JLDIALWWAWLVNH-SECBINFHSA-N 0 1 228.361 2.047 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C1(C)C ZINC001332893779 975309136 /nfs/dbraw/zinc/30/91/36/975309136.db2.gz PKCDPHGVIWFASD-JTQLQIEISA-N 0 1 249.358 2.235 20 0 BEADMN CC[C@@H](Oc1nc2cccc(C)c2[nH]1)C(=O)OC ZINC001227267280 975341821 /nfs/dbraw/zinc/34/18/21/975341821.db2.gz AOYFTHOHGBJQSC-SNVBAGLBSA-N 0 1 248.282 2.202 20 0 BEADMN CCOC(=O)[C@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227269228 975345352 /nfs/dbraw/zinc/34/53/52/975345352.db2.gz AJWFUQXUFOGDSX-VIFPVBQESA-N 0 1 248.282 2.202 20 0 BEADMN Cc1cccc2nc(O[C@H]3CCCOC3)[nH]c21 ZINC001227270688 975347775 /nfs/dbraw/zinc/34/77/75/975347775.db2.gz CMINPQTZXLJYRM-JTQLQIEISA-N 0 1 232.283 2.429 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@]1(C)O ZINC001203346392 975386499 /nfs/dbraw/zinc/38/64/99/975386499.db2.gz LNWXZVOSPPEYFU-RISCZKNCSA-N 0 1 237.318 2.419 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001333117496 975439776 /nfs/dbraw/zinc/43/97/76/975439776.db2.gz AEZDDLLVLIDMBK-JHJVBQTASA-N 0 1 247.342 2.039 20 0 BEADMN CC1CCC(Oc2ncnc3nc[nH]c32)CC1 ZINC001227531018 975512104 /nfs/dbraw/zinc/51/21/04/975512104.db2.gz DNLBQMLDDWDDGJ-UHFFFAOYSA-N 0 1 232.287 2.310 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1ncnc2nc[nH]c21 ZINC001227536036 975516623 /nfs/dbraw/zinc/51/66/23/975516623.db2.gz WPZOHKLNWSODPS-YUMQZZPRSA-N 0 1 220.276 2.166 20 0 BEADMN CC[C@@H](C(=O)OCc1nnc[nH]1)c1ccccc1 ZINC001333182722 975534693 /nfs/dbraw/zinc/53/46/93/975534693.db2.gz UAPKHTXMMLJCDN-LLVKDONJSA-N 0 1 245.282 2.042 20 0 BEADMN CC[C@H](C(=O)OCc1nnc[nH]1)c1ccccc1 ZINC001333182723 975537022 /nfs/dbraw/zinc/53/70/22/975537022.db2.gz UAPKHTXMMLJCDN-NSHDSACASA-N 0 1 245.282 2.042 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCCC[C@@H]1F ZINC001227602313 975577825 /nfs/dbraw/zinc/57/78/25/975577825.db2.gz SGOMIOVLXBPEGK-JGVFFNPUSA-N 0 1 243.307 2.128 20 0 BEADMN CC(C)[C@@H](C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227714138 975641943 /nfs/dbraw/zinc/64/19/43/975641943.db2.gz RKTHCDKKSPGPKC-SFYZADRCSA-N 0 1 238.287 2.197 20 0 BEADMN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1cnn(C)c1 ZINC001333325922 975662902 /nfs/dbraw/zinc/66/29/02/975662902.db2.gz CPNAEYJUVIRFHI-NXEZZACHSA-N 0 1 248.305 2.366 20 0 BEADMN Cc1cc(CC(=O)OCC[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001333352353 975699402 /nfs/dbraw/zinc/69/94/02/975699402.db2.gz SBHIYDTURPASIZ-YPMHNXCESA-N 0 1 248.326 2.240 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806398 975700103 /nfs/dbraw/zinc/70/01/03/975700103.db2.gz IMRDONZQPNOKRU-CBAPKCEASA-N 0 1 233.271 2.231 20 0 BEADMN CC[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)C(C)C ZINC001227808682 975708227 /nfs/dbraw/zinc/70/82/27/975708227.db2.gz KWZLLSOIACCUCD-VIFPVBQESA-N 0 1 235.287 2.477 20 0 BEADMN Cc1ccc2nc(N)n(-c3cccnc3)c2c1 ZINC001173853666 975765982 /nfs/dbraw/zinc/76/59/82/975765982.db2.gz HFVPROWFUUXNPJ-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1nnc(SCCSC(F)(F)F)[nH]1 ZINC001333485045 975812169 /nfs/dbraw/zinc/81/21/69/975812169.db2.gz UWCMKHVGSAFITL-UHFFFAOYSA-N 0 1 243.279 2.458 20 0 BEADMN NC(=O)c1ncsc1N=CCc1ccccc1 ZINC001173871550 975822933 /nfs/dbraw/zinc/82/29/33/975822933.db2.gz MLJIPFLYOLWKCW-VOTSOKGWSA-N 0 1 245.307 2.325 20 0 BEADMN CCN1CCC[C@@H](Oc2cccnc2C(C)=O)C1 ZINC001227983693 975829057 /nfs/dbraw/zinc/82/90/57/975829057.db2.gz PWMVRTZSWLNVSH-GFCCVEGCSA-N 0 1 248.326 2.147 20 0 BEADMN CCN1CCC[C@H](Oc2cccnc2C(C)=O)C1 ZINC001227983694 975829256 /nfs/dbraw/zinc/82/92/56/975829256.db2.gz PWMVRTZSWLNVSH-LBPRGKRZSA-N 0 1 248.326 2.147 20 0 BEADMN Cc1ncn(-c2cc(C)cc(C)c2)c1N ZINC001173828064 975847406 /nfs/dbraw/zinc/84/74/06/975847406.db2.gz COUPQLRWLBCLDE-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN CCN1CC[C@H](Oc2cc(O)cc(C(C)=O)c2)C1 ZINC001228048769 975877061 /nfs/dbraw/zinc/87/70/61/975877061.db2.gz SNEZJCKOMBVZNT-ZDUSSCGKSA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1cccc(Nc2cncn2C)c1 ZINC001173901554 975890042 /nfs/dbraw/zinc/89/00/42/975890042.db2.gz ZYJWEONRNIIVEC-UHFFFAOYSA-N 0 1 215.256 2.366 20 0 BEADMN Clc1cc(Nc2ccncc2)ccn1 ZINC001173879015 975909930 /nfs/dbraw/zinc/90/99/30/975909930.db2.gz AMRZHBZXUSHOBZ-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN c1cnc2c(c1)nccc2Nc1ccncc1 ZINC001173881176 975915320 /nfs/dbraw/zinc/91/53/20/975915320.db2.gz FCQFHMZEOWZLDZ-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN c1cc(Nc2cncc(N3CCCC3)c2)ccn1 ZINC001173881842 975919888 /nfs/dbraw/zinc/91/98/88/975919888.db2.gz CWWXVXNCVQWNLP-UHFFFAOYSA-N 0 1 240.310 2.242 20 0 BEADMN Fc1cc(Nc2ccncc2)cnc1Cl ZINC001173881277 975920856 /nfs/dbraw/zinc/92/08/56/975920856.db2.gz KMIYQLIOQUELPO-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN Clc1cnc(Cl)c(Nc2ccncc2)n1 ZINC001173881479 975925015 /nfs/dbraw/zinc/92/50/15/975925015.db2.gz VBUNDKFYNBWMPN-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN Fc1cnc(Nc2ccncc2)c(Cl)c1 ZINC001173881396 975925477 /nfs/dbraw/zinc/92/54/77/975925477.db2.gz QBBMOEAUICTNSB-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN Cc1cnn(C2CCC2)c1Nc1ccncc1 ZINC001173881745 975926873 /nfs/dbraw/zinc/92/68/73/975926873.db2.gz AHQVJBWKCXUMAK-UHFFFAOYSA-N 0 1 228.299 2.477 20 0 BEADMN Cc1c2cn(-c3ccncc3)nc2ccc1N ZINC001173882348 975928849 /nfs/dbraw/zinc/92/88/49/975928849.db2.gz GFDTZWMYZADKCT-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ccc(CO)cc1Nc1ccncc1 ZINC001173882822 975939710 /nfs/dbraw/zinc/93/97/10/975939710.db2.gz VVCTTYHMNGUKNB-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN c1nc(Nc2ccncc2)cn1CC1CCC1 ZINC001173882925 975939911 /nfs/dbraw/zinc/93/99/11/975939911.db2.gz WPCSFQGZJIYLFI-UHFFFAOYSA-N 0 1 228.299 2.244 20 0 BEADMN COC(=O)c1ccc(Nc2ccncc2)c(C)c1 ZINC001173882762 975940416 /nfs/dbraw/zinc/94/04/16/975940416.db2.gz SCUCSBDWHYVNEV-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN COC(=O)c1cc(F)cc(Nc2ccncc2)c1 ZINC001173883183 975943131 /nfs/dbraw/zinc/94/31/31/975943131.db2.gz JSLXOMAIEIKQKX-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN COC(=O)c1ccc(Nc2ccncc2)c(F)c1 ZINC001173883206 975950536 /nfs/dbraw/zinc/95/05/36/975950536.db2.gz BUAPCRNSRRQANE-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN c1cnn(-c2cccc(Nc3ccncc3)c2)c1 ZINC001173883369 975956905 /nfs/dbraw/zinc/95/69/05/975956905.db2.gz HFFHMOYVDMYQTO-UHFFFAOYSA-N 0 1 236.278 2.433 20 0 BEADMN Cc1c(CO)cccc1Nc1ccncc1 ZINC001173883327 975960316 /nfs/dbraw/zinc/96/03/16/975960316.db2.gz MYFHCUYDKAKXGV-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN c1nnc(-c2cccc(Nc3ccncc3)c2)o1 ZINC001173883276 975961358 /nfs/dbraw/zinc/96/13/58/975961358.db2.gz FEYKJTUEVDVUBA-UHFFFAOYSA-N 0 1 238.250 2.297 20 0 BEADMN COCCN(c1ccncc1)c1ccccc1N ZINC001173884527 975965212 /nfs/dbraw/zinc/96/52/12/975965212.db2.gz SIHDITHYBKVLRS-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN OCc1c(F)cc(F)cc1Nc1ccncc1 ZINC001173884528 975974773 /nfs/dbraw/zinc/97/47/73/975974773.db2.gz SJNZNRLOZAWRIW-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN O=C1CCc2c(Nc3ccncc3)cccc2N1 ZINC001173884558 975975571 /nfs/dbraw/zinc/97/55/71/975975571.db2.gz UNYUNKOTWVUBIJ-UHFFFAOYSA-N 0 1 239.278 2.132 20 0 BEADMN COc1cccc(C(C)=O)c1Nc1ccncc1 ZINC001173884923 975975991 /nfs/dbraw/zinc/97/59/91/975975991.db2.gz XZFLDUIVRUPJHX-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1cc(N)ccn1 ZINC001333748756 976053019 /nfs/dbraw/zinc/05/30/19/976053019.db2.gz FPQHHPREFYLISB-JXMROGBWSA-N 0 1 233.315 2.026 20 0 BEADMN CCCC(C)(C)C(=O)NCc1cc(N)ccn1 ZINC001333751093 976058901 /nfs/dbraw/zinc/05/89/01/976058901.db2.gz PNBFSNWMCHWPHP-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@H](C)[N@H+](CCO)Cc1ccc([O-])c(F)c1 ZINC001333777816 976076233 /nfs/dbraw/zinc/07/62/33/976076233.db2.gz XHEZCAUAMLKPPG-JTQLQIEISA-N 0 1 241.306 2.124 20 0 BEADMN CC[C@H](C)[N@@H+](CCO)Cc1ccc([O-])c(F)c1 ZINC001333777816 976076254 /nfs/dbraw/zinc/07/62/54/976076254.db2.gz XHEZCAUAMLKPPG-JTQLQIEISA-N 0 1 241.306 2.124 20 0 BEADMN Cc1coc(CN2CCOC[C@@H](C)C2)c1 ZINC001333782022 976077701 /nfs/dbraw/zinc/07/77/01/976077701.db2.gz SKZOWQUJBIXCRP-NSHDSACASA-N 0 1 209.289 2.056 20 0 BEADMN Cc1nc2ccc(OC[C@@H]3CCO3)cc2[nH]1 ZINC001228327977 976119616 /nfs/dbraw/zinc/11/96/16/976119616.db2.gz YORMCJCQGHSTBJ-JTQLQIEISA-N 0 1 218.256 2.039 20 0 BEADMN COc1ccc(C)cc1Nc1cncn1C ZINC001173985063 976128277 /nfs/dbraw/zinc/12/82/77/976128277.db2.gz LNYXXDGJWWPENP-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN CCOC(=O)c1cnn(C)c1N=C1CCCC1 ZINC001173997471 976137479 /nfs/dbraw/zinc/13/74/79/976137479.db2.gz ZPBLIPHZUNYFLY-UHFFFAOYSA-N 0 1 235.287 2.077 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CCO[C@H]1C ZINC001333877256 976140653 /nfs/dbraw/zinc/14/06/53/976140653.db2.gz WGLKWGKWEQOUTD-JOYOIKCWSA-N 0 1 239.290 2.101 20 0 BEADMN C[C@H]1CCC[C@H](C)C1Oc1nc(O)cc(=O)[nH]1 ZINC001228389274 976185537 /nfs/dbraw/zinc/18/55/37/976185537.db2.gz UJXJEFOQLSKKGE-YUMQZZPRSA-N 0 1 238.287 2.091 20 0 BEADMN CC(C)c1nnc(Nc2ccccc2C(N)=O)o1 ZINC001173979301 976193819 /nfs/dbraw/zinc/19/38/19/976193819.db2.gz PEAHIPSFMLRTBS-UHFFFAOYSA-N 0 1 246.270 2.036 20 0 BEADMN Cc1ncn(-c2ccc(C)c(F)c2)c1N ZINC001174020206 976223178 /nfs/dbraw/zinc/22/31/78/976223178.db2.gz ZUJOHHBKKVNMAW-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN C[C@H](C[N@H+](C)[C@H](C)Cc1ccsc1)C(=O)[O-] ZINC000689945634 976268206 /nfs/dbraw/zinc/26/82/06/976268206.db2.gz IZFVIBWBHXZMBY-NXEZZACHSA-N 0 1 241.356 2.332 20 0 BEADMN COc1cccc(O[C@@H]2CCCN(C)C2)c1F ZINC001228570056 976330217 /nfs/dbraw/zinc/33/02/17/976330217.db2.gz WVNAIMFEQDMMMA-SNVBAGLBSA-N 0 1 239.290 2.307 20 0 BEADMN Cc1n[nH]c(C)c1Nc1ccc2nccn2c1 ZINC001174215093 976401205 /nfs/dbraw/zinc/40/12/05/976401205.db2.gz CGEJUXOEHYCYAU-UHFFFAOYSA-N 0 1 227.271 2.418 20 0 BEADMN COC1=CC[C@@H](Oc2ccc3[nH]nnc3c2)CC1 ZINC001228662425 976416313 /nfs/dbraw/zinc/41/63/13/976416313.db2.gz HEWWGHMJMSGVIX-SNVBAGLBSA-N 0 1 245.282 2.420 20 0 BEADMN Nc1cccc(Nc2ccc3nccn3c2)c1O ZINC001174280395 976433297 /nfs/dbraw/zinc/43/32/97/976433297.db2.gz UTOQGVRSLZJLQP-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN Cc1ccc(-n2c(N)nc3ccccc32)cn1 ZINC001174280689 976433625 /nfs/dbraw/zinc/43/36/25/976433625.db2.gz OUUASIWPAHSFGI-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ncn(C)c1Nc1cncc(F)c1 ZINC001174290955 976457254 /nfs/dbraw/zinc/45/72/54/976457254.db2.gz VTHNSJUHDYFGJD-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2cnc3c(c2)CCCC3)C1 ZINC001228778863 976491467 /nfs/dbraw/zinc/49/14/67/976491467.db2.gz OZJSDLCWTFZTOR-ZDUSSCGKSA-N 0 1 246.354 2.433 20 0 BEADMN CCN1CC[C@H](Oc2ncc(Cl)cc2F)C1 ZINC001228831788 976507716 /nfs/dbraw/zinc/50/77/16/976507716.db2.gz IYLFTRXTQBARHG-VIFPVBQESA-N 0 1 244.697 2.347 20 0 BEADMN Nc1cn(-c2ccc3nccn3c2)c2ncccc12 ZINC001174277140 976509580 /nfs/dbraw/zinc/50/95/80/976509580.db2.gz KIHPFKKKDWKMBS-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN CCOc1ncccc1NCc1cc(C)[nH]n1 ZINC001334420156 976510046 /nfs/dbraw/zinc/51/00/46/976510046.db2.gz OQDZSLIDJLTEAS-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN c1n[nH]c2cccc(Nc3ncccn3)c12 ZINC001174343002 976562687 /nfs/dbraw/zinc/56/26/87/976562687.db2.gz ZFHBPOCNOLUGQE-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Cc1nsc(Nc2cccc3[nH]ncc32)n1 ZINC001174342599 976563336 /nfs/dbraw/zinc/56/33/36/976563336.db2.gz RGWGFEUVKPRWPI-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN c1n[nH]c2cccc(Nc3ccnnc3)c12 ZINC001174342100 976567476 /nfs/dbraw/zinc/56/74/76/976567476.db2.gz FPHJINBWPRMZMW-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Nc1cc(F)cnc1Nc1cccc2[nH]ncc21 ZINC001174343415 976569330 /nfs/dbraw/zinc/56/93/30/976569330.db2.gz OMDYJWAJBQYTLY-UHFFFAOYSA-N 0 1 243.245 2.423 20 0 BEADMN Cc1ccnnc1Nc1cccc2[nH]ncc21 ZINC001174343492 976570623 /nfs/dbraw/zinc/57/06/23/976570623.db2.gz SWVDDWZBTZKTGZ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN FC(F)[C@@H](NCc1nnc[nH]1)C1CCCCC1 ZINC001334646974 976572690 /nfs/dbraw/zinc/57/26/90/976572690.db2.gz NCGPYAQLIZYKJF-JTQLQIEISA-N 0 1 244.289 2.108 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H]2CCC[C@H](C)C2)n1 ZINC001228918344 976579974 /nfs/dbraw/zinc/57/99/74/976579974.db2.gz OJZPJQHYKTXTCI-DTWKUNHWSA-N 0 1 238.287 2.148 20 0 BEADMN FC1(F)CC(Oc2nnc3c[nH]ccc2-3)C1 ZINC001228990973 976618085 /nfs/dbraw/zinc/61/80/85/976618085.db2.gz VWWGXYXPGDLBHP-UHFFFAOYSA-N 0 1 225.198 2.134 20 0 BEADMN CC1(C)C[C@H](Oc2nnc3c[nH]ccc2-3)CCO1 ZINC001228989796 976618769 /nfs/dbraw/zinc/61/87/69/976618769.db2.gz KKNSUPBKDRJGKN-SECBINFHSA-N 0 1 247.298 2.294 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)C(F)(F)F ZINC001228995370 976621684 /nfs/dbraw/zinc/62/16/84/976621684.db2.gz QPKSLJDCUJSULT-YFKPBYRVSA-N 0 1 231.177 2.288 20 0 BEADMN CCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cccnc2)C1 ZINC000259681983 976670655 /nfs/dbraw/zinc/67/06/55/976670655.db2.gz JTQKPNICMAAJCN-WCQYABFASA-N 0 1 248.326 2.028 20 0 BEADMN O=c1[nH]cccc1Nc1ccc2c[nH]nc2c1 ZINC001174498097 976715418 /nfs/dbraw/zinc/71/54/18/976715418.db2.gz UMBPKPCSONHSDQ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN COc1cc(Nc2ccc3cn[nH]c3c2)ncn1 ZINC001174498437 976717707 /nfs/dbraw/zinc/71/77/07/976717707.db2.gz DTZQYJUKYBZJFZ-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN c1n[nH]c2cc(Nc3cccnn3)ccc12 ZINC001174499442 976730986 /nfs/dbraw/zinc/73/09/86/976730986.db2.gz QMOFTBXTGXZHPL-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Cn1cncc1Nc1ccc2c[nH]nc2c1 ZINC001174499047 976731633 /nfs/dbraw/zinc/73/16/33/976731633.db2.gz XOBVCTZPGVCQJL-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cn1cncc1Nc1ccc2cn[nH]c2c1 ZINC001174499047 976731651 /nfs/dbraw/zinc/73/16/51/976731651.db2.gz XOBVCTZPGVCQJL-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN COc1nc(Nc2ccsc2C)cc(=O)[nH]1 ZINC001174458570 976743206 /nfs/dbraw/zinc/74/32/06/976743206.db2.gz ALDPWNYXCHXWRV-UHFFFAOYSA-N 0 1 237.284 2.304 20 0 BEADMN CCCCC[C@@H](C)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229119029 976752970 /nfs/dbraw/zinc/75/29/70/976752970.db2.gz FNWGFZNMQUIZJC-SSDOTTSWSA-N 0 1 244.266 2.375 20 0 BEADMN CCCC[C@H](CC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229120399 976756474 /nfs/dbraw/zinc/75/64/74/976756474.db2.gz RUOKHFOYASRHHQ-ZETCQYMHSA-N 0 1 244.266 2.375 20 0 BEADMN CCCC(CCC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229124012 976764996 /nfs/dbraw/zinc/76/49/96/976764996.db2.gz JJDHJQANLUPLJZ-UHFFFAOYSA-N 0 1 244.266 2.375 20 0 BEADMN c1nn(CC2CC2)cc1Nc1nonc1C1CC1 ZINC001174468078 976770720 /nfs/dbraw/zinc/77/07/20/976770720.db2.gz VGWLCIGEGWHINH-UHFFFAOYSA-N 0 1 245.286 2.297 20 0 BEADMN Cn1ccc2ccc(Nc3nnco3)cc21 ZINC001174513142 976839344 /nfs/dbraw/zinc/83/93/44/976839344.db2.gz AXMCOFNPXNVOOH-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN Cc1nc(CNc2nc3cccc(C)c3o2)n[nH]1 ZINC001335116709 976857428 /nfs/dbraw/zinc/85/74/28/976857428.db2.gz JOXOWLSWDAMEBM-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1cc(CSc2cn[nH]n2)cs1 ZINC001335137308 976862297 /nfs/dbraw/zinc/86/22/97/976862297.db2.gz JIVDSPQTQKMTSM-UHFFFAOYSA-N 0 1 211.315 2.467 20 0 BEADMN COC[C@H](C)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229405691 976863238 /nfs/dbraw/zinc/86/32/38/976863238.db2.gz XZVVSJDRWYBUIS-VIFPVBQESA-N 0 1 248.282 2.058 20 0 BEADMN CCN1CC[C@H](Oc2c(O)cccc2C(C)=O)C1 ZINC001229646057 976926492 /nfs/dbraw/zinc/92/64/92/976926492.db2.gz IVYIPRBUNLFATA-NSHDSACASA-N 0 1 249.310 2.068 20 0 BEADMN COc1nc(Nc2cccc(F)c2C)cc(=O)[nH]1 ZINC001174665016 976955014 /nfs/dbraw/zinc/95/50/14/976955014.db2.gz LESZSKQFFUBYDU-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN COc1ccc2nc(O[C@H]3CCCOC3)[nH]c2c1 ZINC001229730497 976970234 /nfs/dbraw/zinc/97/02/34/976970234.db2.gz QUFGFANYEAJILR-JTQLQIEISA-N 0 1 248.282 2.129 20 0 BEADMN COc1ccc2nc(OC[C@@H]3CCCO3)[nH]c2c1 ZINC001229729537 976971144 /nfs/dbraw/zinc/97/11/44/976971144.db2.gz LEFCAIWTSXKAHH-JTQLQIEISA-N 0 1 248.282 2.129 20 0 BEADMN O[C@@H](CNCCF)c1ccc(Cl)c(F)c1 ZINC001335350727 976987563 /nfs/dbraw/zinc/98/75/63/976987563.db2.gz ITEFUYVLXFMSPG-JTQLQIEISA-N 0 1 235.661 2.072 20 0 BEADMN O[C@@H]1C[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)CC12CC2 ZINC001335358442 976992873 /nfs/dbraw/zinc/99/28/73/976992873.db2.gz VHEVJDVBEFTABS-HZSPNIEDSA-N 0 1 247.313 2.138 20 0 BEADMN Cc1cn(C)nc1C[N@H+]1CCS[C@@H](C)CC1 ZINC001354708965 1170012989 /nfs/dbraw/zinc/01/29/89/1170012989.db2.gz LCXPPYOYYICOOT-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN Cc1cn(C)nc1CN1CCS[C@@H](C)CC1 ZINC001354708965 1170012997 /nfs/dbraw/zinc/01/29/97/1170012997.db2.gz LCXPPYOYYICOOT-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN C=CNc1ccc(CCN2CCOCC2)cc1 ZINC001174787953 977026464 /nfs/dbraw/zinc/02/64/64/977026464.db2.gz RXHSNFXVUFHGOB-UHFFFAOYSA-N 0 1 232.327 2.117 20 0 BEADMN Cc1nnc(CN[C@H]2CCC[C@H](F)C2)s1 ZINC001335540557 977127915 /nfs/dbraw/zinc/12/79/15/977127915.db2.gz PLCZSMCGAWBXTE-IUCAKERBSA-N 0 1 229.324 2.217 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@@H]1CCO1 ZINC001230223089 977131712 /nfs/dbraw/zinc/13/17/12/977131712.db2.gz LZJFRALRYUSTQZ-JTQLQIEISA-N 0 1 218.256 2.039 20 0 BEADMN Cc1cc2[nH]ncc2cc1OCC(=O)OC(C)C ZINC001230223837 977134673 /nfs/dbraw/zinc/13/46/73/977134673.db2.gz VNDODOCBOJJSMR-UHFFFAOYSA-N 0 1 248.282 2.202 20 0 BEADMN Cc1ccc(-n2c(N)nc3ccccc32)cc1N ZINC001174931248 977154741 /nfs/dbraw/zinc/15/47/41/977154741.db2.gz YCTIKYQYLKBKMF-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN COc1cc(F)c(-n2cnc(C)c2N)cc1F ZINC001174925821 977170545 /nfs/dbraw/zinc/17/05/45/977170545.db2.gz LKVZPLCOOJUDAO-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN Cc1ncn(-c2cc(F)c(F)c(F)c2)c1N ZINC001174957944 977187826 /nfs/dbraw/zinc/18/78/26/977187826.db2.gz FJSQRKYWEJXSFP-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN FC(F)(F)[C@H]1CC[C@H](CN2CC=CCC2)O1 ZINC001335629592 977192588 /nfs/dbraw/zinc/19/25/88/977192588.db2.gz XVCCEFRYFFQGAN-NXEZZACHSA-N 0 1 235.249 2.358 20 0 BEADMN COc1ccc(Nc2nnc(C)o2)c(F)c1F ZINC001175021318 977215834 /nfs/dbraw/zinc/21/58/34/977215834.db2.gz GSOSUEIFQGDJTN-UHFFFAOYSA-N 0 1 241.197 2.408 20 0 BEADMN COc1cc(C)c(-n2cnc(C)c2N)cc1C ZINC001175110229 977255333 /nfs/dbraw/zinc/25/53/33/977255333.db2.gz PDZXTIGUVZPWNA-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN CO[C@@H]1CCCN([C@H](C)c2ncccn2)CC1 ZINC001335745123 977256767 /nfs/dbraw/zinc/25/67/67/977256767.db2.gz JZTYRQYALYHLFI-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN Nc1nc2ccccc2n1-c1ccncc1F ZINC001175197517 977298912 /nfs/dbraw/zinc/29/89/12/977298912.db2.gz ZJHMHSHJHRWVMO-UHFFFAOYSA-N 0 1 228.230 2.142 20 0 BEADMN Cc1ccc2c(c1)nc(=O)[nH]c2OC(C)C ZINC001230887105 977358396 /nfs/dbraw/zinc/35/83/96/977358396.db2.gz VMYQDYUIESVIBP-UHFFFAOYSA-N 0 1 218.256 2.431 20 0 BEADMN CC(=O)[C@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931881 977387297 /nfs/dbraw/zinc/38/72/97/977387297.db2.gz RIPXAKAGIUCBMV-ZETCQYMHSA-N 0 1 222.219 2.058 20 0 BEADMN COc1ncc(C)cc1Nc1c(C)ncn1C ZINC001175338062 977389346 /nfs/dbraw/zinc/38/93/46/977389346.db2.gz ZJYFGORWINZXEI-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN Cn1cncc1Nc1cnc2cccnc2c1 ZINC001175354993 977390876 /nfs/dbraw/zinc/39/08/76/977390876.db2.gz HNAWEQHDXMDDID-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN Nc1cncn1-c1c(F)c(F)c(F)c(F)c1F ZINC001175383089 977402935 /nfs/dbraw/zinc/40/29/35/977402935.db2.gz LPTDDJHSXQXFJM-UHFFFAOYSA-N 0 1 249.142 2.150 20 0 BEADMN Cn1cncc1Nc1cccc2cnn(C)c21 ZINC001175440020 977429142 /nfs/dbraw/zinc/42/91/42/977429142.db2.gz BGAVWPPMOHIPGE-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN CN(CC1CCC1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001336041051 977450943 /nfs/dbraw/zinc/45/09/43/977450943.db2.gz KGKWNVNXLCATFT-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])C1 ZINC001336105509 977509518 /nfs/dbraw/zinc/50/95/18/977509518.db2.gz ZNDLBXQOIXCVSX-RISCZKNCSA-N 0 1 237.343 2.362 20 0 BEADMN CCc1cccc(-n2cnc(C)c2N)c1 ZINC001175553868 977534670 /nfs/dbraw/zinc/53/46/70/977534670.db2.gz BESHBEVTLMKXPI-UHFFFAOYSA-N 0 1 201.273 2.325 20 0 BEADMN CCC=C(F)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001336202060 977561810 /nfs/dbraw/zinc/56/18/10/977561810.db2.gz PBWJRLQWHRJRSX-YWEYNIOJSA-N 0 1 248.261 2.468 20 0 BEADMN CN1CCCC(=Nc2ncc(Cl)cc2O)C1 ZINC001175575114 977571445 /nfs/dbraw/zinc/57/14/45/977571445.db2.gz LIWZDXJEZNFWME-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN CC(C)c1nccnc1NC1=CCCN(C)C1 ZINC001175575824 977576183 /nfs/dbraw/zinc/57/61/83/977576183.db2.gz AGTXVYALCZMMBH-UHFFFAOYSA-N 0 1 232.331 2.231 20 0 BEADMN COc1ccc(C)nc1NC1=CCCN(C)C1 ZINC001175576555 977576216 /nfs/dbraw/zinc/57/62/16/977576216.db2.gz IZTGOZOHLGAKJU-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN COc1cc(NC2=CCCN(C)C2)ccc1F ZINC001175576617 977579651 /nfs/dbraw/zinc/57/96/51/977579651.db2.gz MYXHEDCAHMPJPY-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN CN1CCC=C(Nc2cccc3c2COC3)C1 ZINC001175577576 977586493 /nfs/dbraw/zinc/58/64/93/977586493.db2.gz CYOQVBVLTHEPOK-UHFFFAOYSA-N 0 1 230.311 2.348 20 0 BEADMN CN1CCC=C(Nc2cc(F)ccc2O)C1 ZINC001175576757 977586826 /nfs/dbraw/zinc/58/68/26/977586826.db2.gz SKHPVDOYNBNGFK-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1c[nH]c2cccnc12 ZINC001231494209 977613437 /nfs/dbraw/zinc/61/34/37/977613437.db2.gz MZDARPAGLRHDEW-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN CCc1ccc(CN2CC3(COC3)C2)s1 ZINC001231500574 977618942 /nfs/dbraw/zinc/61/89/42/977618942.db2.gz YJOGOWXNVGQSEC-UHFFFAOYSA-N 0 1 223.341 2.143 20 0 BEADMN FC(F)C1CN(Cc2c[nH]c3cnccc23)C1 ZINC001231520090 977623535 /nfs/dbraw/zinc/62/35/35/977623535.db2.gz NKKLYVJFPWXSCF-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ccn(C)n3)cc12 ZINC001175693003 977624832 /nfs/dbraw/zinc/62/48/32/977624832.db2.gz UYKWXFFKZBNVMK-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC[C@H]1COCCN1Cc1c[nH]c2cnccc12 ZINC001231522234 977628833 /nfs/dbraw/zinc/62/88/33/977628833.db2.gz VJJKEESDMUHHKX-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN CSc1ccc(Nc2ccnc(CO)c2)cn1 ZINC001175654478 977633965 /nfs/dbraw/zinc/63/39/65/977633965.db2.gz WUFDMJUICUJBSA-UHFFFAOYSA-N 0 1 247.323 2.434 20 0 BEADMN Cc1[nH]nc2cc(Nc3ccncn3)ccc21 ZINC001175659216 977634288 /nfs/dbraw/zinc/63/42/88/977634288.db2.gz GYBMHZVRJWGKBK-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cc(F)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001231600177 977647641 /nfs/dbraw/zinc/64/76/41/977647641.db2.gz JOBODKMHGJFDRS-PHIMTYICSA-N 0 1 221.275 2.286 20 0 BEADMN NC(=O)c1ncccc1NC1=CCCCC1 ZINC001175751950 977688506 /nfs/dbraw/zinc/68/85/06/977688506.db2.gz HADSHKUFEMTOPD-UHFFFAOYSA-N 0 1 217.272 2.050 20 0 BEADMN c1nnc(C[NH2+]C2(C3CCCCC3)CC2)[n-]1 ZINC001336476860 977708031 /nfs/dbraw/zinc/70/80/31/977708031.db2.gz LIAOSGBYOQCHEA-UHFFFAOYSA-N 0 1 220.320 2.007 20 0 BEADMN CCCCN(C)Cc1cc(F)cnc1OC ZINC001231741079 977723175 /nfs/dbraw/zinc/72/31/75/977723175.db2.gz QMNFGGDMVCWJQX-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN CCCOc1ncccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001231859115 977772050 /nfs/dbraw/zinc/77/20/50/977772050.db2.gz VJXJYRJQACGHJH-BETUJISGSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cscn1 ZINC001175938338 977794941 /nfs/dbraw/zinc/79/49/41/977794941.db2.gz VNUKTBNETMAOKL-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN c1nc(Nc2noc3cccnc32)cs1 ZINC001175937533 977796927 /nfs/dbraw/zinc/79/69/27/977796927.db2.gz KTPMXRNCIZONOB-UHFFFAOYSA-N 0 1 218.241 2.423 20 0 BEADMN COc1cnc(CN2CC[C@H](C)C[C@@H]2C)cn1 ZINC001231935747 977802298 /nfs/dbraw/zinc/80/22/98/977802298.db2.gz IYBWDHPWCBHIFJ-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CCOC(=O)c1cc(Nc2cscn2)on1 ZINC001175941442 977802958 /nfs/dbraw/zinc/80/29/58/977802958.db2.gz QZSCFGIIAMJVEQ-UHFFFAOYSA-N 0 1 239.256 2.051 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCCOC2)cnc1F ZINC001231929696 977804654 /nfs/dbraw/zinc/80/46/54/977804654.db2.gz ILBLXJZDOJRUGW-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CCCC[N@@H+](CCC)Cc1cnc(OC)cn1 ZINC001231937663 977807667 /nfs/dbraw/zinc/80/76/67/977807667.db2.gz GSUFFDWWXCECHN-UHFFFAOYSA-N 0 1 237.347 2.497 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cn1 ZINC001231938200 977808287 /nfs/dbraw/zinc/80/82/87/977808287.db2.gz AODATGYJSIFKPM-VXGBXAGGSA-N 0 1 249.358 2.353 20 0 BEADMN F[C@H]1CN(Cc2cccc3c[nH]nc32)C[C@@H]2C[C@@H]21 ZINC001231973454 977816984 /nfs/dbraw/zinc/81/69/84/977816984.db2.gz UJSOUNDCCUYQOY-AVGNSLFASA-N 0 1 245.301 2.353 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccc2c[nH]nc21 ZINC001231974832 977817502 /nfs/dbraw/zinc/81/75/02/977817502.db2.gz QWQSUENHZDQRMF-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN F[C@@H]1CN(Cc2cccc3c[nH]nc32)C[C@@H]2C[C@@H]21 ZINC001231973455 977819138 /nfs/dbraw/zinc/81/91/38/977819138.db2.gz UJSOUNDCCUYQOY-RWMBFGLXSA-N 0 1 245.301 2.353 20 0 BEADMN FC(F)C1CN(Cc2cccc3c[nH]nc32)C1 ZINC001231974473 977819532 /nfs/dbraw/zinc/81/95/32/977819532.db2.gz FKGVOBKSXJOYMN-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001231984378 977824238 /nfs/dbraw/zinc/82/42/38/977824238.db2.gz ZIDMXJFDXCAYST-DLOVCJGASA-N 0 1 238.281 2.461 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOCC3)cc(C)n1 ZINC001231999565 977831627 /nfs/dbraw/zinc/83/16/27/977831627.db2.gz QWHULXLAAQXJNB-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN Cc1cccc(CN(C)Cc2ccc(=O)[nH]n2)c1 ZINC001232021420 977849229 /nfs/dbraw/zinc/84/92/29/977849229.db2.gz OMLALBLXRAVZAV-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN COc1ncccc1Nc1ccc2nn[nH]c2c1 ZINC001175995310 977850519 /nfs/dbraw/zinc/85/05/19/977850519.db2.gz BBCDFWJCJQEMSR-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1ncccc1Nc1ccc2n[nH]nc2c1 ZINC001175995310 977850522 /nfs/dbraw/zinc/85/05/22/977850522.db2.gz BBCDFWJCJQEMSR-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cccc(Nc2ccc3nn[nH]c3c2)n1 ZINC001175995345 977851323 /nfs/dbraw/zinc/85/13/23/977851323.db2.gz BKCCYKQLTWJNHO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cccc(Nc2ccc3n[nH]nc3c2)n1 ZINC001175995345 977851324 /nfs/dbraw/zinc/85/13/24/977851324.db2.gz BKCCYKQLTWJNHO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cncc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175998982 977854727 /nfs/dbraw/zinc/85/47/27/977854727.db2.gz PSVXDERUGOMYPJ-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1cncc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175998982 977854733 /nfs/dbraw/zinc/85/47/33/977854733.db2.gz PSVXDERUGOMYPJ-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Fc1cc(Nc2ccc3nn[nH]c3c2)c(F)cn1 ZINC001176001491 977855339 /nfs/dbraw/zinc/85/53/39/977855339.db2.gz DEMHYDVAAQVNSJ-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1cc(Nc2ccc3n[nH]nc3c2)c(F)cn1 ZINC001176001491 977855340 /nfs/dbraw/zinc/85/53/40/977855340.db2.gz DEMHYDVAAQVNSJ-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1ncccc1Nc1ccc2nn[nH]c2c1 ZINC001175999082 977855980 /nfs/dbraw/zinc/85/59/80/977855980.db2.gz KOZJTSXDXDIISY-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1ncccc1Nc1ccc2n[nH]nc2c1 ZINC001175999082 977855985 /nfs/dbraw/zinc/85/59/85/977855985.db2.gz KOZJTSXDXDIISY-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Clc1nnccc1Nc1ccc2nn[nH]c2c1 ZINC001175998989 977856674 /nfs/dbraw/zinc/85/66/74/977856674.db2.gz QGGXOIVJGRDGII-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1nnccc1Nc1ccc2n[nH]nc2c1 ZINC001175998989 977856677 /nfs/dbraw/zinc/85/66/77/977856677.db2.gz QGGXOIVJGRDGII-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Fc1ccc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175998795 977856895 /nfs/dbraw/zinc/85/68/95/977856895.db2.gz HEDSFBCXVNIUNC-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1ccc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175998795 977856900 /nfs/dbraw/zinc/85/69/00/977856900.db2.gz HEDSFBCXVNIUNC-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CC(C)(CNc1nccnc1CN)CC(F)F ZINC001336701338 977859230 /nfs/dbraw/zinc/85/92/30/977859230.db2.gz MUBSDVXTYGJELE-UHFFFAOYSA-N 0 1 244.289 2.029 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001594875996 977868060 /nfs/dbraw/zinc/86/80/60/977868060.db2.gz ZGMPIJIWRXHBRT-UMNHJUIQSA-N 0 1 231.311 2.310 20 0 BEADMN Brc1ccncc1Nc1ncc[nH]1 ZINC001176078881 977870446 /nfs/dbraw/zinc/87/04/46/977870446.db2.gz BRKKEOOGFUKBQY-UHFFFAOYSA-N 0 1 239.076 2.311 20 0 BEADMN Fc1cnc(Cl)c(Nc2ncc[nH]2)c1 ZINC001176081896 977875292 /nfs/dbraw/zinc/87/52/92/977875292.db2.gz IZWXMXMVCPRJQK-UHFFFAOYSA-N 0 1 212.615 2.341 20 0 BEADMN Oc1cncc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC001232046726 977875401 /nfs/dbraw/zinc/87/54/01/977875401.db2.gz NJAMEXGGMLHNOK-UHFFFAOYSA-N 0 1 218.300 2.162 20 0 BEADMN FC(F)Oc1ncccc1Nc1ncc[nH]1 ZINC001176081746 977876193 /nfs/dbraw/zinc/87/61/93/977876193.db2.gz BNHJJBDTXMHWKL-UHFFFAOYSA-N 0 1 226.186 2.150 20 0 BEADMN O=c1[nH]cc(Nc2ncc[nH]2)cc1C(F)(F)F ZINC001176081949 977876557 /nfs/dbraw/zinc/87/65/57/977876557.db2.gz LUISNFBODPTHQP-UHFFFAOYSA-N 0 1 244.176 2.273 20 0 BEADMN O=c1cc(Nc2ncc[nH]2)[nH]n1-c1ccccc1 ZINC001176081860 977877297 /nfs/dbraw/zinc/87/72/97/977877297.db2.gz HOGFTYHHDSEFIP-UHFFFAOYSA-N 0 1 241.254 2.045 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232063139 977879343 /nfs/dbraw/zinc/87/93/43/977879343.db2.gz JEMRYHOGXVRAGZ-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN COC(=O)c1ccc(CN2CC3CCC2CC3)[nH]1 ZINC001232077613 977882655 /nfs/dbraw/zinc/88/26/55/977882655.db2.gz UDMBWMYOJPVQGH-UHFFFAOYSA-N 0 1 248.326 2.176 20 0 BEADMN COC(=O)c1ccc(F)c(Nc2ncc[nH]2)c1 ZINC001176084771 977885360 /nfs/dbraw/zinc/88/53/60/977885360.db2.gz VLVOZGNWEYXYCK-UHFFFAOYSA-N 0 1 235.218 2.079 20 0 BEADMN Cc1cc(F)c(Nc2ncc[nH]2)cc1O ZINC001176085554 977886575 /nfs/dbraw/zinc/88/65/75/977886575.db2.gz RYCUWUXKRMUJJV-UHFFFAOYSA-N 0 1 207.208 2.306 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C)n1 ZINC001232080349 977886993 /nfs/dbraw/zinc/88/69/93/977886993.db2.gz BIYPCVFBZLUUNM-IHRRRGAJSA-N 0 1 234.318 2.488 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)nc2C(F)(F)F)C1 ZINC001232085693 977887758 /nfs/dbraw/zinc/88/77/58/977887758.db2.gz FROGKJQPZIGNFY-QMMMGPOBSA-N 0 1 247.264 2.281 20 0 BEADMN C[C@@H]1CN(Cc2cc3ccncc3[nH]2)CCCO1 ZINC001232090525 977887981 /nfs/dbraw/zinc/88/79/81/977887981.db2.gz IEPFOMNHUZKRHO-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN CCCN(CCOC)Cc1ccns1 ZINC001232190010 977907686 /nfs/dbraw/zinc/90/76/86/977907686.db2.gz PYZYZKUYGJTJBY-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN CC(C)N1CCN(Cc2ccns2)C[C@@H]1C ZINC001232195289 977915142 /nfs/dbraw/zinc/91/51/42/977915142.db2.gz OFGUTZVLXRRTLL-NSHDSACASA-N 0 1 239.388 2.058 20 0 BEADMN c1nc2ccccn2c1NC1=CCOCC1 ZINC001176140067 977916508 /nfs/dbraw/zinc/91/65/08/977916508.db2.gz BDYSYYUBGUPBIK-UHFFFAOYSA-N 0 1 215.256 2.050 20 0 BEADMN c1cc2c(ccnc2N=C2CCOCC2)cn1 ZINC001176140116 977917897 /nfs/dbraw/zinc/91/78/97/977917897.db2.gz CNWSCPJFEQDZGX-UHFFFAOYSA-N 0 1 227.267 2.346 20 0 BEADMN c1nc(N=C2CCOCC2)cn1CC1CC1 ZINC001176141775 977920425 /nfs/dbraw/zinc/92/04/25/977920425.db2.gz IMVDPPQYDFEZKR-UHFFFAOYSA-N 0 1 219.288 2.009 20 0 BEADMN COc1cc(Cl)nc(NC2=CCOCC2)c1 ZINC001176141659 977920807 /nfs/dbraw/zinc/92/08/07/977920807.db2.gz DJWAWEIGWQPWBR-UHFFFAOYSA-N 0 1 240.690 2.460 20 0 BEADMN Fc1cc(NC2=CCOCC2)c(F)c(F)n1 ZINC001176141705 977921610 /nfs/dbraw/zinc/92/16/10/977921610.db2.gz FYWKTRYQBBWQDZ-UHFFFAOYSA-N 0 1 230.189 2.215 20 0 BEADMN c1sc2nccnc2c1N=C1CCOCC1 ZINC001176140500 977923432 /nfs/dbraw/zinc/92/34/32/977923432.db2.gz HYAPWKXDDXIZCT-UHFFFAOYSA-N 0 1 233.296 2.407 20 0 BEADMN Cc1scnc1CN1CCC[C@H](CCO)C1 ZINC001232206856 977928135 /nfs/dbraw/zinc/92/81/35/977928135.db2.gz PRMHRHQOVYNCGD-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN COC[C@H]1CCCN1Cc1ncsc1C ZINC001232204711 977932297 /nfs/dbraw/zinc/93/22/97/977932297.db2.gz VXIQOQYRIWOTFY-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CO[C@@H]1CCN(Cc2ncsc2C)[C@H](C)C1 ZINC001232206424 977933408 /nfs/dbraw/zinc/93/34/08/977933408.db2.gz GTWOJAPYEHKUPM-MWLCHTKSSA-N 0 1 240.372 2.451 20 0 BEADMN CC(C)(C)c1cc(CN2CCC[C@@H](O)C2)ccn1 ZINC001232211684 977936904 /nfs/dbraw/zinc/93/69/04/977936904.db2.gz BIUPKCAJNNCMEQ-CYBMUJFWSA-N 0 1 248.370 2.336 20 0 BEADMN Cc1scnc1CN1CC[C@H]2OCC[C@H]2C1 ZINC001232212398 977938140 /nfs/dbraw/zinc/93/81/40/977938140.db2.gz PWIXUZKUPIJCBE-CMPLNLGQSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1scnc1CN1CC[C@@]2(CCOC2)C1 ZINC001232210466 977939285 /nfs/dbraw/zinc/93/92/85/977939285.db2.gz OTPCVJRIUNVWHD-GFCCVEGCSA-N 0 1 238.356 2.064 20 0 BEADMN COc1ccncc1-n1c(N)nc2ccccc21 ZINC001176117127 977947446 /nfs/dbraw/zinc/94/74/46/977947446.db2.gz SJWUZHQINVKTLP-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN FC[C@H]1CCCN(Cc2cnsc2)C1 ZINC001232227857 977960423 /nfs/dbraw/zinc/96/04/23/977960423.db2.gz UNLAURKPFJVVOH-SECBINFHSA-N 0 1 214.309 2.325 20 0 BEADMN COc1cc(Nc2ccc(=O)[nH]c2)ncc1C ZINC001176129032 977968774 /nfs/dbraw/zinc/96/87/74/977968774.db2.gz NTBBYFPPTBLRDP-UHFFFAOYSA-N 0 1 231.255 2.243 20 0 BEADMN Nc1cnncc1NC=CCc1ccccc1 ZINC001176216943 977996205 /nfs/dbraw/zinc/99/62/05/977996205.db2.gz WUHKSOYCXLYCNF-XBXARRHUSA-N 0 1 226.283 2.227 20 0 BEADMN COCc1ccc(CN2CC3(CSC3)C2)cc1 ZINC001232304181 977997173 /nfs/dbraw/zinc/99/71/73/977997173.db2.gz WAKHEIFXHLGAOM-UHFFFAOYSA-N 0 1 249.379 2.382 20 0 BEADMN Cc1ncn(-c2cccc(Cl)c2)c1N ZINC001176221190 978000060 /nfs/dbraw/zinc/00/00/60/978000060.db2.gz BNSNBDXYYOLYOG-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN CC(C)(CCNC(=O)c1[nH]ncc1F)C1CC1 ZINC001450197496 1170028177 /nfs/dbraw/zinc/02/81/77/1170028177.db2.gz ZBESGOJPWIHLQH-UHFFFAOYSA-N 0 1 239.294 2.105 20 0 BEADMN Nc1cncn1-c1c(F)cc(F)c(F)c1F ZINC001176347147 978033430 /nfs/dbraw/zinc/03/34/30/978033430.db2.gz NNROBFYSJOWESV-UHFFFAOYSA-N 0 1 231.152 2.011 20 0 BEADMN CC(C)c1nnc(Nc2csc(CO)c2)o1 ZINC001176365823 978048443 /nfs/dbraw/zinc/04/84/43/978048443.db2.gz HGKPBOUZAHKPQP-UHFFFAOYSA-N 0 1 239.300 2.490 20 0 BEADMN COc1ccc(O)cc1Nc1c(C)ncn1C ZINC001176575542 978132728 /nfs/dbraw/zinc/13/27/28/978132728.db2.gz BCCCIRIHIQIFJX-UHFFFAOYSA-N 0 1 233.271 2.186 20 0 BEADMN Cc1cccc(F)c1CN1CCC(O)CC1 ZINC001232482716 978136572 /nfs/dbraw/zinc/13/65/72/978136572.db2.gz WEEVCCOUYJXHNC-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@H](NCC1=NOCC1)c1ccc2c(c1)CCO2 ZINC001176629192 978140048 /nfs/dbraw/zinc/14/00/48/978140048.db2.gz GWWICBSIKJVCCZ-SNVBAGLBSA-N 0 1 246.310 2.048 20 0 BEADMN CCOc1cc(Nc2ccncc2)c(F)cn1 ZINC001176600868 978144937 /nfs/dbraw/zinc/14/49/37/978144937.db2.gz MYNZMQXERGSPMS-UHFFFAOYSA-N 0 1 233.246 2.180 20 0 BEADMN CCCN(CC)Cc1c(OC)cncc1OC ZINC001232499660 978152264 /nfs/dbraw/zinc/15/22/64/978152264.db2.gz CPLWLEUNNRRCAJ-UHFFFAOYSA-N 0 1 238.331 2.331 20 0 BEADMN CO[C@H]1CCN(Cc2cc(F)ccn2)[C@@H](C)C1 ZINC001232498154 978152869 /nfs/dbraw/zinc/15/28/69/978152869.db2.gz RPLZAZZDFOMACE-GWCFXTLKSA-N 0 1 238.306 2.220 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1c1nccnc1CN ZINC001337074009 978153655 /nfs/dbraw/zinc/15/36/55/978153655.db2.gz SMQDYXDPLVFVRX-YPMHNXCESA-N 0 1 248.374 2.340 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1c1nccnc1CN ZINC001337074006 978155383 /nfs/dbraw/zinc/15/53/83/978155383.db2.gz SMQDYXDPLVFVRX-DGCLKSJQSA-N 0 1 248.374 2.340 20 0 BEADMN CC(C)Oc1ncccc1Nc1nccn1C ZINC001176730669 978166844 /nfs/dbraw/zinc/16/68/44/978166844.db2.gz UMSKUDKBALVTKY-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN CN(Cc1cc(Cl)n(C)n1)CC1CCC1 ZINC001176771181 978182942 /nfs/dbraw/zinc/18/29/42/978182942.db2.gz HEQZLHRJQREOGU-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc3ccoc3cn2)C1 ZINC001232557328 978182941 /nfs/dbraw/zinc/18/29/41/978182941.db2.gz RONVAOVVSAYUKC-CYBMUJFWSA-N 0 1 246.310 2.439 20 0 BEADMN CCOc1ccnc(C[N@H+]2CCC[C@H]2C)c1 ZINC001232580131 978186892 /nfs/dbraw/zinc/18/68/92/978186892.db2.gz UHQVXANPIDSHQT-LLVKDONJSA-N 0 1 220.316 2.465 20 0 BEADMN CCc1nnc(NC(=O)C23CCC(CC2)CC3)[nH]1 ZINC001337186367 978201526 /nfs/dbraw/zinc/20/15/26/978201526.db2.gz QKYCYDZEZNIKTP-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C23CCC(CC2)CC3)n1 ZINC001337186367 978201533 /nfs/dbraw/zinc/20/15/33/978201533.db2.gz QKYCYDZEZNIKTP-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN COC(=O)c1cc(C[N@@H+](C)C2CC(C)C2)ccn1 ZINC001232767456 978267131 /nfs/dbraw/zinc/26/71/31/978267131.db2.gz JIRIUWLCLBRDQB-UHFFFAOYSA-N 0 1 248.326 2.099 20 0 BEADMN OCCc1ccc(CN2CCC[C@@H](F)C2)cc1 ZINC001232778534 978272814 /nfs/dbraw/zinc/27/28/14/978272814.db2.gz UDFNEIGILSGLKU-CQSZACIVSA-N 0 1 237.318 2.155 20 0 BEADMN CCN(Cc1c[nH]c2ccc(O)cc12)C1COC1 ZINC001232870309 978315386 /nfs/dbraw/zinc/31/53/86/978315386.db2.gz HAXWTYLPBVUNKO-UHFFFAOYSA-N 0 1 246.310 2.094 20 0 BEADMN C1=CCN(Cc2ccc3ncoc3c2)C1 ZINC001232937523 978345653 /nfs/dbraw/zinc/34/56/53/978345653.db2.gz CFTVJIHTOFIHJO-UHFFFAOYSA-N 0 1 200.241 2.200 20 0 BEADMN CO[C@H](C)C1CN(Cc2ccc3ncoc3c2)C1 ZINC001232943337 978354676 /nfs/dbraw/zinc/35/46/76/978354676.db2.gz BDRFDBGSSYUYNA-SNVBAGLBSA-N 0 1 246.310 2.295 20 0 BEADMN CCCCC(=O)Nc1c2nn[nH]c2ccc1C ZINC001337521258 978384398 /nfs/dbraw/zinc/38/43/98/978384398.db2.gz FNKRLIJCPYGWSW-UHFFFAOYSA-N 0 1 232.287 2.395 20 0 BEADMN COC1CCN(Cc2cc(F)cnc2C)CC1 ZINC001232987367 978385806 /nfs/dbraw/zinc/38/58/06/978385806.db2.gz UNKFYDMBLUUWSK-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)C1CCC1 ZINC001337522636 978389359 /nfs/dbraw/zinc/38/93/59/978389359.db2.gz RPUXQTSNHMLQFG-UHFFFAOYSA-N 0 1 230.271 2.005 20 0 BEADMN Cc1ncc(F)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001232987467 978390098 /nfs/dbraw/zinc/39/00/98/978390098.db2.gz LBPDYCDTWZZIGO-WCFLWFBJSA-N 0 1 238.281 2.319 20 0 BEADMN Cc1cc(C)c(CN2CC3(C2)CCCOC3)cn1 ZINC001233005068 978393667 /nfs/dbraw/zinc/39/36/67/978393667.db2.gz IVUDCFWWKOECFQ-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN Cc1cc(C)c(CN2CC[C@@H]3CCO[C@H]3C2)cn1 ZINC001233005160 978395169 /nfs/dbraw/zinc/39/51/69/978395169.db2.gz KIGASWMGWMQFLQ-HIFRSBDPSA-N 0 1 246.354 2.309 20 0 BEADMN CC(=O)C1CCN(Cc2cnc(C)cc2C)CC1 ZINC001233008077 978402684 /nfs/dbraw/zinc/40/26/84/978402684.db2.gz ZNNFXGGPQMLCEO-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN Cc1cc(C)c(C[N@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001233009571 978408738 /nfs/dbraw/zinc/40/87/38/978408738.db2.gz DQQAYEUTGPGLDK-UHFFFAOYSA-N 0 1 247.386 2.224 20 0 BEADMN CCC(F)(F)C(=O)Nc1ccc2cncn2c1 ZINC001598081742 978411611 /nfs/dbraw/zinc/41/16/11/978411611.db2.gz XAXNEPDUIQFVQH-UHFFFAOYSA-N 0 1 239.225 2.318 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ncc2[O-])C1 ZINC001233032382 978412195 /nfs/dbraw/zinc/41/21/95/978412195.db2.gz JGMUCVFYQLOLJN-MRVPVSSYSA-N 0 1 226.707 2.282 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ncc2[O-])C1 ZINC001233032382 978412206 /nfs/dbraw/zinc/41/22/06/978412206.db2.gz JGMUCVFYQLOLJN-MRVPVSSYSA-N 0 1 226.707 2.282 20 0 BEADMN Fc1cccc(CCNCc2cc[nH]n2)c1F ZINC001177839893 978455472 /nfs/dbraw/zinc/45/54/72/978455472.db2.gz GKWIBAAVZYPBPA-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN C[C@@H]1CCN1Cc1[nH]nc2cc(F)ccc21 ZINC001233118766 978469388 /nfs/dbraw/zinc/46/93/88/978469388.db2.gz BMEMANYOMDUSOB-MRVPVSSYSA-N 0 1 219.263 2.296 20 0 BEADMN Cc1cc(CN2CC[C@H]3OCC[C@H]32)cnc1C ZINC001233155990 978477638 /nfs/dbraw/zinc/47/76/38/978477638.db2.gz DWLZMJARVOFUAY-ZIAGYGMSSA-N 0 1 232.327 2.062 20 0 BEADMN Cc1cc(CN2CCCO[C@H](C)C2)cnc1C ZINC001233157022 978478987 /nfs/dbraw/zinc/47/89/87/978478987.db2.gz YQWOUVDPIURUAO-GFCCVEGCSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1occc1CNc1ccc2nn[nH]c2c1 ZINC001178046060 978494330 /nfs/dbraw/zinc/49/43/30/978494330.db2.gz GZZPZROYRWMTRU-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1occc1CNc1ccc2n[nH]nc2c1 ZINC001178046060 978494337 /nfs/dbraw/zinc/49/43/37/978494337.db2.gz GZZPZROYRWMTRU-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CO[C@@H]1C[N@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259642 978515637 /nfs/dbraw/zinc/51/56/37/978515637.db2.gz ZKLAVRQUWKYDBO-NWDGAFQWSA-N 0 1 241.331 2.144 20 0 BEADMN CO[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259642 978515644 /nfs/dbraw/zinc/51/56/44/978515644.db2.gz ZKLAVRQUWKYDBO-NWDGAFQWSA-N 0 1 241.331 2.144 20 0 BEADMN CC[N@@H+](Cc1ccc([S-])cc1)C1CN(C)C1 ZINC001233262692 978520034 /nfs/dbraw/zinc/52/00/34/978520034.db2.gz QMKSKZIPFQWBGZ-UHFFFAOYSA-N 0 1 236.384 2.111 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCO3)C[C@@H]1F ZINC001233274107 978525486 /nfs/dbraw/zinc/52/54/86/978525486.db2.gz DUJLOLIWJBMFBE-MFKMUULPSA-N 0 1 235.302 2.411 20 0 BEADMN Cc1ccc(CC[C@H](C)Nc2ccnc(N)n2)o1 ZINC001337875682 978544311 /nfs/dbraw/zinc/54/43/11/978544311.db2.gz RDJFTEGEPWFFLK-VIFPVBQESA-N 0 1 246.314 2.393 20 0 BEADMN CC[C@H]1CCC[C@H]1CNc1nccnc1CN ZINC001337896156 978553859 /nfs/dbraw/zinc/55/38/59/978553859.db2.gz UVJWUVFRMXBZFZ-QWRGUYRKSA-N 0 1 234.347 2.174 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNc1nccnc1CN ZINC001337896155 978554879 /nfs/dbraw/zinc/55/48/79/978554879.db2.gz UVJWUVFRMXBZFZ-MNOVXSKESA-N 0 1 234.347 2.174 20 0 BEADMN Cc1cnsc1CN1CC[C@@H](OC(C)C)C1 ZINC001233322041 978563449 /nfs/dbraw/zinc/56/34/49/978563449.db2.gz PCRXJMLGCPFXRH-LLVKDONJSA-N 0 1 240.372 2.451 20 0 BEADMN C[C@H](c1nc([C@@H]2CN3CCC2CC3)no1)C1CC1 ZINC001337928303 978569545 /nfs/dbraw/zinc/56/95/45/978569545.db2.gz HKTDXCCTSZJPID-JOYOIKCWSA-N 0 1 247.342 2.392 20 0 BEADMN FC1(F)CC(NCc2cnc(C3CC3)nc2)C1 ZINC001178492388 978573668 /nfs/dbraw/zinc/57/36/68/978573668.db2.gz KLVGXDYKKOVWHT-UHFFFAOYSA-N 0 1 239.269 2.241 20 0 BEADMN Cc1ncc(CN(C)CCc2cccnc2)o1 ZINC001233367057 978579158 /nfs/dbraw/zinc/57/91/58/978579158.db2.gz IBNFIASWCOXJFC-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CN(Cc1cc(F)c(F)cc1N)C1CC1 ZINC001233378493 978594380 /nfs/dbraw/zinc/59/43/80/978594380.db2.gz VBVTUAHUUMXHQJ-UHFFFAOYSA-N 0 1 212.243 2.141 20 0 BEADMN Cc1cc(CN[C@H](CO)CCC(C)(C)C)on1 ZINC001178571389 978598542 /nfs/dbraw/zinc/59/85/42/978598542.db2.gz QFVRLWVSFJYJLI-NSHDSACASA-N 0 1 240.347 2.260 20 0 BEADMN NCc1nccnc1NCC[C@@H]1CC=CCC1 ZINC001338054529 978598798 /nfs/dbraw/zinc/59/87/98/978598798.db2.gz GQHAJRQXNJFYIH-LLVKDONJSA-N 0 1 232.331 2.094 20 0 BEADMN CCCCN(C)Cc1cncc(Cl)n1 ZINC001233446182 978603282 /nfs/dbraw/zinc/60/32/82/978603282.db2.gz LAQABCMMUZQJGK-UHFFFAOYSA-N 0 1 213.712 2.362 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001203357279 978607681 /nfs/dbraw/zinc/60/76/81/978607681.db2.gz HRJOWWGZKMQDRU-GFCCVEGCSA-N 0 1 223.291 2.437 20 0 BEADMN CC(C)=CC(=O)NCCCN(C)C/C=C\Cl ZINC001233544965 978622695 /nfs/dbraw/zinc/62/26/95/978622695.db2.gz PXVYYYYZZVXSFZ-XQRVVYSFSA-N 0 1 244.766 2.143 20 0 BEADMN O=c1cc(Cl)c(O[C@H]2C=CCCC2)n[nH]1 ZINC001233586945 978630079 /nfs/dbraw/zinc/63/00/79/978630079.db2.gz KHIBMXJNASNVGC-ZETCQYMHSA-N 0 1 226.663 2.323 20 0 BEADMN O=c1cc(Cl)c(O[C@H]2C[C@H]3C=C[C@@H]2C3)n[nH]1 ZINC001233585158 978634360 /nfs/dbraw/zinc/63/43/60/978634360.db2.gz AIGAHFLKLVOUNH-OOZYFLPDSA-N 0 1 238.674 2.179 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233587675 978634639 /nfs/dbraw/zinc/63/46/39/978634639.db2.gz WTFKTPXTQBNZBU-RNFRBKRXSA-N 0 1 228.679 2.403 20 0 BEADMN CCCOC[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587223 978635038 /nfs/dbraw/zinc/63/50/38/978635038.db2.gz OBKMUEYJIAMVGD-ZETCQYMHSA-N 0 1 246.694 2.030 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@H+]2CC[C@@H]2C2CC2)n1C ZINC001599986273 978660197 /nfs/dbraw/zinc/66/01/97/978660197.db2.gz ZNGDSJSUTIGMQT-CYBMUJFWSA-N 0 1 248.326 2.016 20 0 BEADMN Cc1cc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)ccn1 ZINC001600190320 978672860 /nfs/dbraw/zinc/67/28/60/978672860.db2.gz IHTIJEBYETYSEQ-JTQLQIEISA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(C[N@@H+]2CCCC[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600196150 978678919 /nfs/dbraw/zinc/67/89/19/978678919.db2.gz TUNZCDDLQJRSKR-JTQLQIEISA-N 0 1 236.315 2.396 20 0 BEADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)[O-])C2)cc1 ZINC001600395260 978690459 /nfs/dbraw/zinc/69/04/59/978690459.db2.gz CAWJFWSVSMNLLW-AAEUAGOBSA-N 0 1 233.311 2.257 20 0 BEADMN CC1CCN(Cc2ccc3c(n2)OCCO3)CC1 ZINC001233839645 978708983 /nfs/dbraw/zinc/70/89/83/978708983.db2.gz VDSTVRHXXFEBLT-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Cc1oc(C[NH2+]C(C)(C)CF)cc1C(=O)[O-] ZINC001600851962 978740148 /nfs/dbraw/zinc/74/01/48/978740148.db2.gz LKEAPFNUIDWVPA-UHFFFAOYSA-N 0 1 229.251 2.124 20 0 BEADMN CCCn1cncc1CNC/C=C/Cl ZINC001179747927 978749391 /nfs/dbraw/zinc/74/93/91/978749391.db2.gz RLUXNPHTJHEDIU-ONEGZZNKSA-N 0 1 213.712 2.135 20 0 BEADMN c1cc2c(c(CNCc3cnccn3)c1)CCC2 ZINC001179788521 978755857 /nfs/dbraw/zinc/75/58/57/978755857.db2.gz BBIFAOFTFMJDBL-UHFFFAOYSA-N 0 1 239.322 2.255 20 0 BEADMN CCCC[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC ZINC001234039418 978761690 /nfs/dbraw/zinc/76/16/90/978761690.db2.gz LTMUMZBGULNGDE-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC ZINC001234039420 978761824 /nfs/dbraw/zinc/76/18/24/978761824.db2.gz LTMUMZBGULNGDE-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CO[C@H]1CCC[C@@H]1C(=O)NOC1CCCCC1 ZINC001338961740 978763257 /nfs/dbraw/zinc/76/32/57/978763257.db2.gz XERQOCKINKTTEG-RYUDHWBXSA-N 0 1 241.331 2.182 20 0 BEADMN CC[C@@H](C)C(=O)NCCCN(C)C/C=C/Cl ZINC001234136905 978781629 /nfs/dbraw/zinc/78/16/29/978781629.db2.gz MDKCDXPDOIYZFR-OKPNEXGHSA-N 0 1 246.782 2.223 20 0 BEADMN CCOc1ccc(F)c(O[C@H]2CC[N@@H+](C)C2)c1 ZINC001234199233 978790943 /nfs/dbraw/zinc/79/09/43/978790943.db2.gz VJNQYESZECFCRN-NSHDSACASA-N 0 1 239.290 2.307 20 0 BEADMN CCOc1ccc(F)c(O[C@H]2CCN(C)C2)c1 ZINC001234199233 978790947 /nfs/dbraw/zinc/79/09/47/978790947.db2.gz VJNQYESZECFCRN-NSHDSACASA-N 0 1 239.290 2.307 20 0 BEADMN COC(=O)CCc1ccc(Cl)c(O)c1F ZINC001249959229 978835022 /nfs/dbraw/zinc/83/50/22/978835022.db2.gz CTHRKTYGUHVTNM-UHFFFAOYSA-N 0 1 232.638 2.290 20 0 BEADMN C1CCc2c(onc2O[C@H]2CN3CCC2CC3)C1 ZINC001234452218 978841350 /nfs/dbraw/zinc/84/13/50/978841350.db2.gz LXCYRPUHYUIRNM-ZDUSSCGKSA-N 0 1 248.326 2.026 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCF ZINC001339428996 978851462 /nfs/dbraw/zinc/85/14/62/978851462.db2.gz PIJRSKRUAORFTR-UHFFFAOYSA-N 0 1 241.310 2.025 20 0 BEADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CC[C@H]2C2CC2)o1 ZINC001601880375 978860362 /nfs/dbraw/zinc/86/03/62/978860362.db2.gz XAAVDYQTXZTYRU-SZZPACECSA-N 0 1 247.294 2.362 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234561954 978861475 /nfs/dbraw/zinc/86/14/75/978861475.db2.gz CPXYJLGTVSOPKR-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC001601915249 978866180 /nfs/dbraw/zinc/86/61/80/978866180.db2.gz IKKIWRMRHTVPGW-LBPRGKRZSA-N 0 1 237.343 2.363 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc(C(C)C)n1 ZINC001180385600 978870825 /nfs/dbraw/zinc/87/08/25/978870825.db2.gz RRLRZGPLHDXXDD-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN C[C@@H](Nc1nccnc1CN)C1CCCCC1 ZINC001339587590 978876459 /nfs/dbraw/zinc/87/64/59/978876459.db2.gz CXNISRZXESKYHB-SNVBAGLBSA-N 0 1 234.347 2.316 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCCc2occc2C1 ZINC001601987823 978877981 /nfs/dbraw/zinc/87/79/81/978877981.db2.gz JFHHLKUOZSKLIK-UHFFFAOYSA-N 0 1 237.299 2.283 20 0 BEADMN C[C@@H](Oc1nc(F)nc2nc[nH]c21)c1ccco1 ZINC001234691042 978897104 /nfs/dbraw/zinc/89/71/04/978897104.db2.gz DJHWTQSJWJGOMP-ZCFIWIBFSA-N 0 1 248.217 2.225 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234689487 978897620 /nfs/dbraw/zinc/89/76/20/978897620.db2.gz HERUWVAOSRTYSO-RNFRBKRXSA-N 0 1 236.250 2.059 20 0 BEADMN CCC[C@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234686287 978897832 /nfs/dbraw/zinc/89/78/32/978897832.db2.gz CQDTXXNTEUNXBL-ZETCQYMHSA-N 0 1 238.266 2.450 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234690288 978898220 /nfs/dbraw/zinc/89/82/20/978898220.db2.gz NMSHZRAMEYJLTQ-BQBZGAKWSA-N 0 1 238.266 2.305 20 0 BEADMN CC(C)N(Cc1ncc(F)cn1)C(C)C ZINC001235000028 978947477 /nfs/dbraw/zinc/94/74/77/978947477.db2.gz OJAAFUWOXYPTNU-UHFFFAOYSA-N 0 1 211.284 2.235 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2c(c1)N=NC2)N(C)C ZINC001180863272 978956206 /nfs/dbraw/zinc/95/62/06/978956206.db2.gz YJZHMDGNOOTVBD-QMMMGPOBSA-N 0 1 232.287 2.173 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(C2CCC2)nc1)N(C)C ZINC001180861097 978957294 /nfs/dbraw/zinc/95/72/94/978957294.db2.gz QXASFYMZELIBIY-JTQLQIEISA-N 0 1 247.342 2.238 20 0 BEADMN COC(=O)c1ccnc(CN2CCC[C@@H](C)C2)c1 ZINC001235199507 978996667 /nfs/dbraw/zinc/99/66/67/978996667.db2.gz QAZIZNHKFBSRNN-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN CCc1cccc(CN2CC[C@H]3OCC[C@H]32)n1 ZINC001235252605 979006401 /nfs/dbraw/zinc/00/64/01/979006401.db2.gz FMXONPJZGGCCHW-ZIAGYGMSSA-N 0 1 232.327 2.007 20 0 BEADMN COc1cc(CN2CCC[C@@H](C)C2)c(F)cn1 ZINC001235321241 979023078 /nfs/dbraw/zinc/02/30/78/979023078.db2.gz UBLWJBDITBRCFN-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN O=C([O-])[C@H]1[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]21 ZINC001602205364 979083618 /nfs/dbraw/zinc/08/36/18/979083618.db2.gz XXLFLTLXXVIYJR-ITGUQSILSA-N 0 1 237.343 2.219 20 0 BEADMN CCN(C)Cc1cnc(OC)c(Cl)c1 ZINC001235694601 979123738 /nfs/dbraw/zinc/12/37/38/979123738.db2.gz ORUKCLZXAOCECW-UHFFFAOYSA-N 0 1 214.696 2.195 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CCC2)[nH]1 ZINC001602335219 979103837 /nfs/dbraw/zinc/10/38/37/979103837.db2.gz UASHRAFWTLGDSF-UHFFFAOYSA-N 0 1 248.326 2.477 20 0 BEADMN O=C([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)o1 ZINC001602350469 979112765 /nfs/dbraw/zinc/11/27/65/979112765.db2.gz KMJGJFDRLKFFJI-RNFRBKRXSA-N 0 1 249.188 2.018 20 0 BEADMN C[C@H](NCC1CCC2(CC2)CC1)c1ncn(C)n1 ZINC001341265167 979304106 /nfs/dbraw/zinc/30/41/06/979304106.db2.gz IBYKPJHYKRDCPZ-NSHDSACASA-N 0 1 248.374 2.436 20 0 BEADMN CCSCCc1ccc2[nH]nnc2c1 ZINC001250021329 979305945 /nfs/dbraw/zinc/30/59/45/979305945.db2.gz XVBHKSLCBMZRIT-UHFFFAOYSA-N 0 1 207.302 2.254 20 0 BEADMN CCSCCc1ccc2nn[nH]c2c1 ZINC001250021329 979305959 /nfs/dbraw/zinc/30/59/59/979305959.db2.gz XVBHKSLCBMZRIT-UHFFFAOYSA-N 0 1 207.302 2.254 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCc2ccc(F)cc2C1 ZINC001602957668 979341669 /nfs/dbraw/zinc/34/16/69/979341669.db2.gz JOSNADHTCRGVFS-POHAHGRESA-N 0 1 249.285 2.215 20 0 BEADMN CCC1(CC)C[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC001181883131 979351044 /nfs/dbraw/zinc/35/10/44/979351044.db2.gz VWECBEVBXYNKPV-SNVBAGLBSA-N 0 1 247.342 2.121 20 0 BEADMN CCOc1ccc(CN2CC[C@H]2NC)cc1CC ZINC001236164721 979420731 /nfs/dbraw/zinc/42/07/31/979420731.db2.gz BSSDULWQXGNQKP-HNNXBMFYSA-N 0 1 248.370 2.399 20 0 BEADMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC(=O)[O-] ZINC001603314541 979434413 /nfs/dbraw/zinc/43/44/13/979434413.db2.gz COCGTYAIDYTMOT-GFCCVEGCSA-N 0 1 233.311 2.339 20 0 BEADMN CC(C)SCCN1CC(C(F)F)C1 ZINC001182215528 979477297 /nfs/dbraw/zinc/47/72/97/979477297.db2.gz FWHSYVKKYLDYHP-UHFFFAOYSA-N 0 1 209.305 2.325 20 0 BEADMN CN(CCO)Cc1cncc(-c2ccccc2)c1 ZINC001236256587 979477946 /nfs/dbraw/zinc/47/79/46/979477946.db2.gz PKKHXEKGCJAQLA-UHFFFAOYSA-N 0 1 242.322 2.173 20 0 BEADMN COc1nonc1Nc1ccc(F)c(C)c1F ZINC001250046135 979497694 /nfs/dbraw/zinc/49/76/94/979497694.db2.gz RBUYVDIJMACGKP-UHFFFAOYSA-N 0 1 241.197 2.408 20 0 BEADMN C[NH2+]Cc1cc(-c2c(F)ccc(C)c2[O-])ncn1 ZINC001236389400 979574418 /nfs/dbraw/zinc/57/44/18/979574418.db2.gz DIWSBMNHVKLJTQ-UHFFFAOYSA-N 0 1 247.273 2.016 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccn1 ZINC001604150819 979586769 /nfs/dbraw/zinc/58/67/69/979586769.db2.gz LNYSCJMVKOMFJR-UHFFFAOYSA-N 0 1 248.326 2.158 20 0 BEADMN Cc1ccc(CN2CC3(CC(O)C3)C2)cc1C ZINC001204353756 979612559 /nfs/dbraw/zinc/61/25/59/979612559.db2.gz PNHIDHCMEPSSQQ-UHFFFAOYSA-N 0 1 231.339 2.260 20 0 BEADMN Oc1cncc(-c2ccc3nc[nH]c3c2)c1 ZINC001236582076 979661833 /nfs/dbraw/zinc/66/18/33/979661833.db2.gz UILXKGHKVBUJMG-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@H]1c1ccncc1 ZINC001604545278 979673551 /nfs/dbraw/zinc/67/35/51/979673551.db2.gz XJGJERUSNWTSTB-ZDUSSCGKSA-N 0 1 248.326 2.329 20 0 BEADMN CC1(C)C[N@@H+]([C@H](C(=O)[O-])c2cccnc2)C1(C)C ZINC001604545276 979674243 /nfs/dbraw/zinc/67/42/43/979674243.db2.gz XIMUHBDSPAMUBU-NSHDSACASA-N 0 1 248.326 2.328 20 0 BEADMN Cc1cc(CNCc2ccc(F)cc2C)[nH]n1 ZINC000716446051 979677866 /nfs/dbraw/zinc/67/78/66/979677866.db2.gz ICMHOEXEZYPCOU-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCOc1ncc(CN2CC[C@H](C)C2)cc1F ZINC001236694200 979693663 /nfs/dbraw/zinc/69/36/63/979693663.db2.gz YTWCBIKSNNXNSF-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN Oc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1F ZINC001236710643 979700890 /nfs/dbraw/zinc/70/08/90/979700890.db2.gz NUESDACLDIKZAF-NHCYSSNCSA-N 0 1 239.265 2.464 20 0 BEADMN [O-]c1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1F ZINC001236710643 979700900 /nfs/dbraw/zinc/70/09/00/979700900.db2.gz NUESDACLDIKZAF-NHCYSSNCSA-N 0 1 239.265 2.464 20 0 BEADMN [O-]c1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1F ZINC001236710643 979700905 /nfs/dbraw/zinc/70/09/05/979700905.db2.gz NUESDACLDIKZAF-NHCYSSNCSA-N 0 1 239.265 2.464 20 0 BEADMN CN(C)Cc1ccc(OC(F)F)cc1F ZINC001236716294 979713734 /nfs/dbraw/zinc/71/37/34/979713734.db2.gz PPBYVTNXSNRNFR-UHFFFAOYSA-N 0 1 219.206 2.489 20 0 BEADMN C[C@@H]1CC[N@@H+](C[Si](C)(C)C)[C@@H](C(=O)[O-])C1 ZINC001604753632 979714140 /nfs/dbraw/zinc/71/41/40/979714140.db2.gz GGARYYHNZUZOHA-NXEZZACHSA-N 0 1 229.396 2.049 20 0 BEADMN CN(Cc1cccc2ccoc21)C1COC1 ZINC001236737433 979717852 /nfs/dbraw/zinc/71/78/52/979717852.db2.gz KPVXKVCWJMCVPH-UHFFFAOYSA-N 0 1 217.268 2.263 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1Cl ZINC001236850982 979759154 /nfs/dbraw/zinc/75/91/54/979759154.db2.gz BESZJPZKUSJZBI-LLVKDONJSA-N 0 1 239.746 2.463 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC001604922662 979767871 /nfs/dbraw/zinc/76/78/71/979767871.db2.gz FGDNCRZIYNYYSG-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC001604925680 979771659 /nfs/dbraw/zinc/77/16/59/979771659.db2.gz WOFKVHOTJNFQKD-MMWGEVLESA-N 0 1 213.321 2.074 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001604963680 979787209 /nfs/dbraw/zinc/78/72/09/979787209.db2.gz VFQDDCVGBCQKED-MWLCHTKSSA-N 0 1 241.331 2.254 20 0 BEADMN OCCCN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001237057538 979812927 /nfs/dbraw/zinc/81/29/27/979812927.db2.gz KZNCTSBTSPAXCH-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN CCC1C[NH+]([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001605172594 979830536 /nfs/dbraw/zinc/83/05/36/979830536.db2.gz FWKWBSOTIYNXRQ-SSDOTTSWSA-N 0 1 240.328 2.244 20 0 BEADMN CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001605303970 979852360 /nfs/dbraw/zinc/85/23/60/979852360.db2.gz AKGXAOUHZGDLEU-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(F)cc(C)c1CN1CCN(C)CC1 ZINC001237315174 979863335 /nfs/dbraw/zinc/86/33/35/979863335.db2.gz FOXCOPGUYGKPBN-UHFFFAOYSA-N 0 1 236.334 2.190 20 0 BEADMN CCc1cccc(C)c1CN1CCOCC1 ZINC001237336184 979873683 /nfs/dbraw/zinc/87/36/83/979873683.db2.gz UHUCJUGYZHSMQP-UHFFFAOYSA-N 0 1 219.328 2.390 20 0 BEADMN CC1CC(NCc2nc(CN(C)C)cs2)C1 ZINC000722408819 979875083 /nfs/dbraw/zinc/87/50/83/979875083.db2.gz LAYSQLVJRZTPCN-UHFFFAOYSA-N 0 1 239.388 2.093 20 0 BEADMN CCc1ccc[nH+]c1N[C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001605835758 979921033 /nfs/dbraw/zinc/92/10/33/979921033.db2.gz ARYHIGURWRFDMT-MIMYLULJSA-N 0 1 234.299 2.165 20 0 BEADMN COC[C@H]1CCN1Cc1cccc(C)c1OC ZINC001237506387 979925534 /nfs/dbraw/zinc/92/55/34/979925534.db2.gz YICNEFJMKSLSSC-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN COc1c(C)cccc1CN(C)[C@@H]1CCOC1 ZINC001237515121 979925904 /nfs/dbraw/zinc/92/59/04/979925904.db2.gz WDZDTHHASSYVAO-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN COc1cc(CN2CCC[C@H]2C)cc(OC)n1 ZINC001237553554 979940428 /nfs/dbraw/zinc/94/04/28/979940428.db2.gz ROVIYEQZSNEZAI-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN c1csc([C@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237601712 979963252 /nfs/dbraw/zinc/96/32/52/979963252.db2.gz DIGXXDFLTBTGEV-SECBINFHSA-N 0 1 234.328 2.203 20 0 BEADMN Cc1coc(CN2C[C@@H](C)CC23CC3)n1 ZINC001237644090 979993966 /nfs/dbraw/zinc/99/39/66/979993966.db2.gz ZCQHSEZXDUNRJO-VIFPVBQESA-N 0 1 206.289 2.357 20 0 BEADMN COc1cccc(F)c1CNCc1cc(C)[nH]n1 ZINC001343079093 980000973 /nfs/dbraw/zinc/00/09/73/980000973.db2.gz ZRAXSLUIOIIOFP-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN CCc1n[nH]cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001237650966 980004342 /nfs/dbraw/zinc/00/43/42/980004342.db2.gz LXSNDPHOHXPEIH-SECBINFHSA-N 0 1 247.264 2.356 20 0 BEADMN COC[C@H](C)NCc1c(F)cc(C)cc1F ZINC001343099564 980008626 /nfs/dbraw/zinc/00/86/26/980008626.db2.gz ZFBXBDPYLWNDBV-VIFPVBQESA-N 0 1 229.270 2.398 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1F ZINC001237814918 980063392 /nfs/dbraw/zinc/06/33/92/980063392.db2.gz FAIHNMFYBKAUTP-XHVZSJERSA-N 0 1 238.281 2.461 20 0 BEADMN Cc1nccc(NCC[C@H](O)C2CC2)c1Cl ZINC001343306974 980064892 /nfs/dbraw/zinc/06/48/92/980064892.db2.gz STRPDHCSNMGPBX-NSHDSACASA-N 0 1 240.734 2.038 20 0 BEADMN CCc1ncc(C[N@H+]2[C@@H](C)CC[C@H]2CO)s1 ZINC001237821210 980071214 /nfs/dbraw/zinc/07/12/14/980071214.db2.gz LBXLBEMYPYREQT-UWVGGRQHSA-N 0 1 240.372 2.051 20 0 BEADMN CC/C=C(\C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343329864 980071487 /nfs/dbraw/zinc/07/14/87/980071487.db2.gz GFUJVKCSFGFGRJ-RUDMXATFSA-N 0 1 245.282 2.357 20 0 BEADMN CC/C=C(\C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343329864 980071496 /nfs/dbraw/zinc/07/14/96/980071496.db2.gz GFUJVKCSFGFGRJ-RUDMXATFSA-N 0 1 245.282 2.357 20 0 BEADMN C[N@@H+](Cc1cccs1)Cc1c[nH]ccc1=O ZINC001237839206 980091583 /nfs/dbraw/zinc/09/15/83/980091583.db2.gz KSFUCTDEMVZXKC-UHFFFAOYSA-N 0 1 234.324 2.068 20 0 BEADMN CN(Cc1cccs1)Cc1c[nH]ccc1=O ZINC001237839206 980091590 /nfs/dbraw/zinc/09/15/90/980091590.db2.gz KSFUCTDEMVZXKC-UHFFFAOYSA-N 0 1 234.324 2.068 20 0 BEADMN COc1ccoc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC001237869300 980106702 /nfs/dbraw/zinc/10/67/02/980106702.db2.gz PEBSZXQFFJNFHU-XYPYZODXSA-N 0 1 239.315 2.024 20 0 BEADMN COc1ccoc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001237873651 980107533 /nfs/dbraw/zinc/10/75/33/980107533.db2.gz HTWHETXXJKUFQS-AOOOYVTPSA-N 0 1 221.300 2.376 20 0 BEADMN CCOC(=O)c1ccccc1CN1CCCC1 ZINC001237877776 980109278 /nfs/dbraw/zinc/10/92/78/980109278.db2.gz CAFBONRMLBXMCZ-UHFFFAOYSA-N 0 1 233.311 2.459 20 0 BEADMN CCOC(=O)c1ccccc1CN(C)CC ZINC001237879558 980110841 /nfs/dbraw/zinc/11/08/41/980110841.db2.gz NJSVGYSZFVEDDJ-UHFFFAOYSA-N 0 1 221.300 2.315 20 0 BEADMN Cc1[nH]c(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC001607493304 980114217 /nfs/dbraw/zinc/11/42/17/980114217.db2.gz BWCHEXANPHQBDM-DTORHVGOSA-N 0 1 236.315 2.109 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@H]2C)[nH]c1C(=O)[O-] ZINC001607639085 980119039 /nfs/dbraw/zinc/11/90/39/980119039.db2.gz IIDJZPAWDBWHLD-SECBINFHSA-N 0 1 222.288 2.006 20 0 BEADMN COC(CN(C)Cc1ccsc1C)OC ZINC001237968196 980120615 /nfs/dbraw/zinc/12/06/15/980120615.db2.gz JXCOFPAUAMURPD-UHFFFAOYSA-N 0 1 229.345 2.107 20 0 BEADMN CC(=O)CN(C)Cc1cc(Cl)c(O)cc1F ZINC001238144875 980174048 /nfs/dbraw/zinc/17/40/48/980174048.db2.gz YOTYLAZXJJGVNO-UHFFFAOYSA-N 0 1 245.681 2.206 20 0 BEADMN C[C@@H]1CCN(Cc2c(N)ccnc2F)[C@@H](C)C1 ZINC001238155014 980181895 /nfs/dbraw/zinc/18/18/95/980181895.db2.gz ATOJNDQECWPCCA-ZJUUUORDSA-N 0 1 237.322 2.423 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2c(N)ccnc2F)C1 ZINC001238159162 980188302 /nfs/dbraw/zinc/18/83/02/980188302.db2.gz GVUXNRGSBVOGMX-AOOOYVTPSA-N 0 1 237.322 2.281 20 0 BEADMN Cc1ncncc1CN1CC(c2ccccc2)C1 ZINC001238174904 980209385 /nfs/dbraw/zinc/20/93/85/980209385.db2.gz DRMBWLPRVXTWNU-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN COc1ccc(CN(C)C(C)C)c(F)c1O ZINC001238365825 980244336 /nfs/dbraw/zinc/24/43/36/980244336.db2.gz KKIYSMQSTWBMQZ-UHFFFAOYSA-N 0 1 227.279 2.380 20 0 BEADMN Cc1cc(CN(C)C)cnc1OC(C)C ZINC001238376072 980245287 /nfs/dbraw/zinc/24/52/87/980245287.db2.gz VZJQIYMNFCDSQX-UHFFFAOYSA-N 0 1 208.305 2.239 20 0 BEADMN CC[C@@H](C)CCC(=O)Nc1cc(N(C)C)[nH]n1 ZINC001185564285 980248888 /nfs/dbraw/zinc/24/88/88/980248888.db2.gz UYZPKKPBWVWCIX-SECBINFHSA-N 0 1 238.335 2.241 20 0 BEADMN CC[C@@H](C)CCC(=O)NC1CN(C(C)(C)C)C1 ZINC001185583291 980257089 /nfs/dbraw/zinc/25/70/89/980257089.db2.gz QUNPQOFZTUDSDY-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN COc1cc(CN2CCC[C@H]2C)cnc1F ZINC001238448279 980266723 /nfs/dbraw/zinc/26/67/23/980266723.db2.gz PWZYQNJNTAULIR-SECBINFHSA-N 0 1 224.279 2.214 20 0 BEADMN COc1cc(CN2C[C@H]3CC[C@@H]2C3)cnc1F ZINC001238452180 980269485 /nfs/dbraw/zinc/26/94/85/980269485.db2.gz ZCHJPTAYCIUJCX-GXSJLCMTSA-N 0 1 236.290 2.214 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001608748822 980276994 /nfs/dbraw/zinc/27/69/94/980276994.db2.gz UXPJDHHHSPEPJD-CYBMUJFWSA-N 0 1 237.274 2.032 20 0 BEADMN COCC1CN(Cc2cnc(C3CC3)c(C)c2)C1 ZINC001238615239 980297829 /nfs/dbraw/zinc/29/78/29/980297829.db2.gz APJYGKYHTWEFBT-UHFFFAOYSA-N 0 1 246.354 2.346 20 0 BEADMN Cc1cc(CN2CCCOCC2)cnc1C1CC1 ZINC001238615265 980301912 /nfs/dbraw/zinc/30/19/12/980301912.db2.gz BKCQEXAOOXQHQB-UHFFFAOYSA-N 0 1 246.354 2.490 20 0 BEADMN COCCN(C)Cc1cnc(C2CC2)c(C)c1 ZINC001238616054 980302140 /nfs/dbraw/zinc/30/21/40/980302140.db2.gz JYQJZUMZJMQBGY-UHFFFAOYSA-N 0 1 234.343 2.346 20 0 BEADMN Cc1c(C(=O)N2C[C@H](C)[C@H]2C)ccc2cncn21 ZINC001344015832 980313161 /nfs/dbraw/zinc/31/31/61/980313161.db2.gz GHMAHQCNIKEBKZ-VHSXEESVSA-N 0 1 243.310 2.123 20 0 BEADMN c1cc(C2CC2)ncc1-c1ncnc2c1CNC2 ZINC001238847094 980338426 /nfs/dbraw/zinc/33/84/26/980338426.db2.gz HGDLGZPGIZJSIE-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN FC(F)(F)c1cc(Nc2cnoc2)on1 ZINC001203232726 980352877 /nfs/dbraw/zinc/35/28/77/980352877.db2.gz YOFWXEKPRHZRKO-UHFFFAOYSA-N 0 1 219.122 2.425 20 0 BEADMN FC(F)n1cc(-c2cncc3nc[nH]c32)cn1 ZINC001238866541 980353605 /nfs/dbraw/zinc/35/36/05/980353605.db2.gz JUCVWIRIERNKGZ-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN FC(F)n1cc(-c2cncc3[nH]cnc32)cn1 ZINC001238866541 980353610 /nfs/dbraw/zinc/35/36/10/980353610.db2.gz JUCVWIRIERNKGZ-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CC2CCC1CC2 ZINC000691660603 980379845 /nfs/dbraw/zinc/37/98/45/980379845.db2.gz JKMRLEYJVJZKSU-MCIGGMRASA-N 0 1 225.332 2.219 20 0 BEADMN CSc1cc(-c2cnc(CN)nc2)ccc1F ZINC001238963304 980397096 /nfs/dbraw/zinc/39/70/96/980397096.db2.gz BZOFIDKVUFFUKZ-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN O=C(NCC1CC1)Nc1ccc(F)c(F)c1O ZINC001186622899 980414943 /nfs/dbraw/zinc/41/49/43/980414943.db2.gz OYUACTMIKSXXQK-UHFFFAOYSA-N 0 1 242.225 2.202 20 0 BEADMN COc1cnc(F)cc1-c1cccc2[nH]nnc21 ZINC001239036704 980419422 /nfs/dbraw/zinc/41/94/22/980419422.db2.gz SRXYRWFELPGOGH-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1cnc(NCc2ccc3cncn3c2)nc1 ZINC001186662559 980428031 /nfs/dbraw/zinc/42/80/31/980428031.db2.gz XKABEVSXLFRDPT-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1cnoc1 ZINC001239188873 980492471 /nfs/dbraw/zinc/49/24/71/980492471.db2.gz NHJCDRYCKWIZGQ-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN CCCCc1ccc(NC(=O)N2CCNC2)cc1 ZINC001239307082 980524199 /nfs/dbraw/zinc/52/41/99/980524199.db2.gz HDYWFRIGRMEWTH-UHFFFAOYSA-N 0 1 247.342 2.424 20 0 BEADMN CCCCCOC(=O)N1CCNC[C@H]1C(C)C ZINC001239332275 980539830 /nfs/dbraw/zinc/53/98/30/980539830.db2.gz SIIRRSVJMZSTIR-LBPRGKRZSA-N 0 1 242.363 2.243 20 0 BEADMN CCC(CC)COC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001239336483 980542944 /nfs/dbraw/zinc/54/29/44/980542944.db2.gz MZVXDIRGFZHVCA-QWRGUYRKSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1ccc(OC(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001239339495 980545988 /nfs/dbraw/zinc/54/59/88/980545988.db2.gz ZWSUAWKXTOSEMB-TXEJJXNPSA-N 0 1 248.326 2.176 20 0 BEADMN CNc1ccc(-c2nccc(N)c2C)c(F)n1 ZINC001239399943 980561045 /nfs/dbraw/zinc/56/10/45/980561045.db2.gz CVSYQYJJMZJJMQ-UHFFFAOYSA-N 0 1 232.262 2.215 20 0 BEADMN C[C@@H]1CCCCN(C(=O)c2[nH]ncc2Cl)C1 ZINC001187832015 980562659 /nfs/dbraw/zinc/56/26/59/980562659.db2.gz MYFZXBUZTTWJIM-MRVPVSSYSA-N 0 1 241.722 2.325 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1[nH]ncc1Cl ZINC001187830815 980563108 /nfs/dbraw/zinc/56/31/08/980563108.db2.gz SQGAXKUZBIAQQR-OCAPTIKFSA-N 0 1 241.722 2.466 20 0 BEADMN C/C=C(/C)COC(=O)[C@H]1CCCN1C(C)C ZINC001345195337 980581088 /nfs/dbraw/zinc/58/10/88/980581088.db2.gz ZFUGQHKQPIUJRF-DKRCXCIFSA-N 0 1 225.332 2.369 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc2oncc2c1 ZINC001188059043 980582348 /nfs/dbraw/zinc/58/23/48/980582348.db2.gz VHVUGKZRBXRZEP-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1c(C)cc(O)cc1C ZINC001188057743 980582897 /nfs/dbraw/zinc/58/28/97/980582897.db2.gz DRIUTBITLAQOIN-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN COc1nc(-c2ccccc2)nc2[nH]cnc21 ZINC001239466119 980591911 /nfs/dbraw/zinc/59/19/11/980591911.db2.gz YTYANXXZTXUCKH-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1nc(-c2ccc(C)cc2)nc2[nH]cnc21 ZINC001239478357 980619001 /nfs/dbraw/zinc/61/90/01/980619001.db2.gz OCPMFYSPYQHSIU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1cc2[nH]cnc2cc1C1=CCOC1 ZINC001239488218 980641326 /nfs/dbraw/zinc/64/13/26/980641326.db2.gz BSYPJBLBQQOJAM-UHFFFAOYSA-N 0 1 204.204 2.116 20 0 BEADMN CCCC(=O)N1CC[C@@H](N(C)C[C@H](F)CC)C1 ZINC001188633735 980684512 /nfs/dbraw/zinc/68/45/12/980684512.db2.gz ILYNMPLPQAPSCP-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1cc(C)cc(-c2ncc3c(n2)CNC3)c1 ZINC001239522678 980695845 /nfs/dbraw/zinc/69/58/45/980695845.db2.gz ORXMVJKBCDGJNX-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1nnc(SCCC[C@H]2CCOC2)[nH]1 ZINC001345929625 980711834 /nfs/dbraw/zinc/71/18/34/980711834.db2.gz BBIQBJHCESSBOF-VIFPVBQESA-N 0 1 227.333 2.022 20 0 BEADMN COc1ccccc1-c1nc(F)nc2nc[nH]c21 ZINC001239536382 980712792 /nfs/dbraw/zinc/71/27/92/980712792.db2.gz AUGLQALFELDCSN-UHFFFAOYSA-N 0 1 244.229 2.119 20 0 BEADMN CCC1(C(=O)OCc2ccc3[nH]nnc3c2)CC1 ZINC001346039224 980738177 /nfs/dbraw/zinc/73/81/77/980738177.db2.gz IRYXMMONMCKDKU-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CCC1(C(=O)OCc2ccc3nn[nH]c3c2)CC1 ZINC001346039224 980738183 /nfs/dbraw/zinc/73/81/83/980738183.db2.gz IRYXMMONMCKDKU-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN S=c1nc2[nH]cnc(-c3cccnc3)c-2s1 ZINC001239567867 980752209 /nfs/dbraw/zinc/75/22/09/980752209.db2.gz CQFCVHVXSJMHGK-UHFFFAOYSA-N 0 1 246.320 2.437 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC[C@H]1CC1(F)F ZINC001346169692 980772813 /nfs/dbraw/zinc/77/28/13/980772813.db2.gz VRWOBTDHEYMEOY-NXEZZACHSA-N 0 1 247.285 2.058 20 0 BEADMN Cc1cccc(C)c1-c1ncnc2c1CNC2 ZINC001239594988 980791782 /nfs/dbraw/zinc/79/17/82/980791782.db2.gz BKOAQSUQVWIODV-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1cccc(C)c1-c1cc2c(nn1)CNC2 ZINC001239596241 980793295 /nfs/dbraw/zinc/79/32/95/980793295.db2.gz QTHKYOZIEWFUOY-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN FC1(F)CO[C@]2(CCN(Cc3ccco3)C2)C1 ZINC001203284111 980799294 /nfs/dbraw/zinc/79/92/94/980799294.db2.gz RQBJNRBVNRWXCU-LLVKDONJSA-N 0 1 243.253 2.280 20 0 BEADMN Cc1nc(CSc2ccc3n[nH]cc3c2)n[nH]1 ZINC001189531298 980804164 /nfs/dbraw/zinc/80/41/64/980804164.db2.gz WEMITOAMTLWFBR-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN COc1ncc(-c2cncc3cc[nH]c32)cc1N ZINC001239638948 980826943 /nfs/dbraw/zinc/82/69/43/980826943.db2.gz ZDEJVCGXLRMJPU-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001595370648 980843454 /nfs/dbraw/zinc/84/34/54/980843454.db2.gz AGXJXUDKCLNRNR-FXPVBKGRSA-N 0 1 247.285 2.074 20 0 BEADMN CC/C=C/COC(=O)[C@H]1CCCN1C(C)C ZINC001346487971 980851066 /nfs/dbraw/zinc/85/10/66/980851066.db2.gz LGLDYKRUKUTXBU-BTDICHCPSA-N 0 1 225.332 2.369 20 0 BEADMN NCc1ncc(-c2ccc3[nH]ccc3c2)cn1 ZINC001239695911 980855654 /nfs/dbraw/zinc/85/56/54/980855654.db2.gz QYCIKWUZYOYBHH-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN Cc1noc(Cc2ccc3nc(C)[nH]c3c2)n1 ZINC001250357764 980856572 /nfs/dbraw/zinc/85/65/72/980856572.db2.gz NBNKANKLUZUJIF-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1cccc(-c2cc3c(nn2)CNC3)c1C ZINC001239714481 980867833 /nfs/dbraw/zinc/86/78/33/980867833.db2.gz ISSWVELBQJNTHH-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000085036588 980872063 /nfs/dbraw/zinc/87/20/63/980872063.db2.gz CYAXODQYUFZOAS-QJPTWQEYSA-N 0 1 227.348 2.306 20 0 BEADMN COc1ccc(-c2cccc3cncn32)cn1 ZINC001239727090 980880919 /nfs/dbraw/zinc/88/09/19/980880919.db2.gz YOOQMEVHXGYWGU-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cc1cc(F)ccc1-c1ncnc2c1CNC2 ZINC001239738563 980884401 /nfs/dbraw/zinc/88/44/01/980884401.db2.gz KFMXHRWMUUYZPG-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cc1cc(F)ccc1-c1cc2c(nn1)CNC2 ZINC001239738332 980884840 /nfs/dbraw/zinc/88/48/40/980884840.db2.gz XBZZJMGJCWMPAB-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCc1ccccc1-c1cnc(CN)nc1 ZINC001239744112 980891306 /nfs/dbraw/zinc/89/13/06/980891306.db2.gz XVAZHCKXQFVFFS-UHFFFAOYSA-N 0 1 213.284 2.165 20 0 BEADMN CCc1ccccc1-c1cc2c(nn1)CNC2 ZINC001239745745 980894130 /nfs/dbraw/zinc/89/41/30/980894130.db2.gz WSXJFPOUHALQDR-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN O=C(CCCC1CCCC1)OCc1nnc[nH]1 ZINC001346738131 980896595 /nfs/dbraw/zinc/89/65/95/980896595.db2.gz CAFQENYWXXPVOA-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN Fc1nc2nc[nH]c2c(C2=CCCC2)n1 ZINC001239784321 980913366 /nfs/dbraw/zinc/91/33/66/980913366.db2.gz XHMVRJBOFGVXNQ-UHFFFAOYSA-N 0 1 204.208 2.011 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)c(C)c1 ZINC001239809184 980948329 /nfs/dbraw/zinc/94/83/29/980948329.db2.gz ILNIQHLMEMZARZ-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1ccn2cncc2c1 ZINC001151909574 980954547 /nfs/dbraw/zinc/95/45/47/980954547.db2.gz TZCAEZCDSCQZOM-LBPRGKRZSA-N 0 1 241.294 2.007 20 0 BEADMN Fc1cccc(CN(Cc2nnc[nH]2)C2CC2)c1 ZINC001347089570 980967614 /nfs/dbraw/zinc/96/76/14/980967614.db2.gz COMQFZHJXLHHSR-UHFFFAOYSA-N 0 1 246.289 2.108 20 0 BEADMN Cc1nnc(SCCC2SCCS2)[nH]1 ZINC001347177507 981003028 /nfs/dbraw/zinc/00/30/28/981003028.db2.gz GOWPBZAHBCWCAK-UHFFFAOYSA-N 0 1 247.414 2.401 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C12CCC(CC1)CC2 ZINC001347178057 981003899 /nfs/dbraw/zinc/00/38/99/981003899.db2.gz DZPVTJJJHBWGMW-UHFFFAOYSA-N 0 1 247.342 2.339 20 0 BEADMN NC(=O)c1cccc(-c2nccc3[nH]ccc32)c1 ZINC001239880622 981015212 /nfs/dbraw/zinc/01/52/12/981015212.db2.gz FJGMSGJYKBXQIG-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN NC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001239881159 981015624 /nfs/dbraw/zinc/01/56/24/981015624.db2.gz LUKXEXMOPYBIDW-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595415280 981027008 /nfs/dbraw/zinc/02/70/08/981027008.db2.gz BWRYVTXPILYYCB-MWLCHTKSSA-N 0 1 236.315 2.476 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H](C)c2ccco2)c1C ZINC001347275095 981028257 /nfs/dbraw/zinc/02/82/57/981028257.db2.gz HGYORQNGIBPRGH-SECBINFHSA-N 0 1 247.298 2.039 20 0 BEADMN CC(=O)CCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC001347447474 981080105 /nfs/dbraw/zinc/08/01/05/981080105.db2.gz LOVMBDBOSOMIOQ-UHFFFAOYSA-N 0 1 245.322 2.219 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@H](C)C1CC1 ZINC001347493166 981099932 /nfs/dbraw/zinc/09/99/32/981099932.db2.gz YTKXTUMKJZJWAK-MRVPVSSYSA-N 0 1 244.298 2.251 20 0 BEADMN Oc1c(F)cc(F)c(-c2cnccn2)c1F ZINC001250443003 981113561 /nfs/dbraw/zinc/11/35/61/981113561.db2.gz QZYJWMQHBJAAQZ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CC=CC1 ZINC001192196393 981132864 /nfs/dbraw/zinc/13/28/64/981132864.db2.gz CZTIRLYZKQNGSE-UHFFFAOYSA-N 0 1 239.278 2.089 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC001595467880 981156309 /nfs/dbraw/zinc/15/63/09/981156309.db2.gz IHLZMNZNADVSDB-GFCCVEGCSA-N 0 1 249.310 2.134 20 0 BEADMN CN(C)c1ccnc(-c2ccc3nccn3c2)c1 ZINC001240213980 981162465 /nfs/dbraw/zinc/16/24/65/981162465.db2.gz IYTODYAPNOQELF-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN C[C@@H]1[C@@H](C)[N@H+](Cc2cccn2C2CC2)CCN1C ZINC001347782921 981171533 /nfs/dbraw/zinc/17/15/33/981171533.db2.gz VYNUYYUMIBTLFN-CHWSQXEVSA-N 0 1 247.386 2.347 20 0 BEADMN Cc1ccc(-c2cc3[nH]nnc3cc2F)cn1 ZINC001240223622 981179942 /nfs/dbraw/zinc/17/99/42/981179942.db2.gz ADJMHGPPJRVOBC-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cncc(CN2CC[C@]3(CC3(F)F)C2)n1 ZINC001203173310 981184896 /nfs/dbraw/zinc/18/48/96/981184896.db2.gz GIPZDXBLNGQAGE-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1nc2c(cncc2-c2cncc(F)c2)[nH]1 ZINC001240237240 981202514 /nfs/dbraw/zinc/20/25/14/981202514.db2.gz VGTPRQARSHHECH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc2c[nH]cc(-c3cncc(F)c3)c-2n1 ZINC001240237240 981202521 /nfs/dbraw/zinc/20/25/21/981202521.db2.gz VGTPRQARSHHECH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Nc1nccc(N[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC001348008725 981243537 /nfs/dbraw/zinc/24/35/37/981243537.db2.gz FJGIUZQCKSHWOK-NEPJUHHUSA-N 0 1 240.310 2.102 20 0 BEADMN CC(F)(F)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC001348010985 981245530 /nfs/dbraw/zinc/24/55/30/981245530.db2.gz MBSJUOBHISIUFW-UHFFFAOYSA-N 0 1 243.135 2.022 20 0 BEADMN Cc1nn(C)cc1-c1cncc2cc[nH]c21 ZINC001240302255 981267290 /nfs/dbraw/zinc/26/72/90/981267290.db2.gz CMTSVBKYRUUHFW-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1nn(C)cc1-c1cccn2cncc12 ZINC001240303239 981269105 /nfs/dbraw/zinc/26/91/05/981269105.db2.gz ZGNVAXOKQSUKBG-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN CC(C)C1(C)CCN(c2nccnc2CN)CC1 ZINC001348106340 981282848 /nfs/dbraw/zinc/28/28/48/981282848.db2.gz CZRQDOOUDWSOLF-UHFFFAOYSA-N 0 1 248.374 2.198 20 0 BEADMN c1nc2ccc(-c3cccn4cncc34)cn2n1 ZINC001240358937 981315263 /nfs/dbraw/zinc/31/52/63/981315263.db2.gz ZUZIRQTUBASVOZ-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCOc1ccc2nc(-c3ccnn3C)[nH]c2c1 ZINC001250515541 981319379 /nfs/dbraw/zinc/31/93/79/981319379.db2.gz RPVDTEHQKALYAR-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN C/C=C/C[C@@H]1CCCN(c2nccnc2CN)C1 ZINC001348271446 981323173 /nfs/dbraw/zinc/32/31/73/981323173.db2.gz RSWYTMBLSZLKSR-QAVQXKDTSA-N 0 1 246.358 2.118 20 0 BEADMN C/C=C/C[C@H]1CCCN(c2nccnc2CN)C1 ZINC001348271443 981324122 /nfs/dbraw/zinc/32/41/22/981324122.db2.gz RSWYTMBLSZLKSR-JDGPPOGSSA-N 0 1 246.358 2.118 20 0 BEADMN Cc1c2[nH]c(-c3ccnn3C)nc2ccc1F ZINC001250515041 981329214 /nfs/dbraw/zinc/32/92/14/981329214.db2.gz JADCRSZBSGZXDN-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CCCC1CCN(CN2CC[C@H](C)C2=O)CC1 ZINC001348469451 981368366 /nfs/dbraw/zinc/36/83/66/981368366.db2.gz GGLLALDOAFCXFZ-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](CC)[C@H]2C)n1 ZINC001193608329 981382211 /nfs/dbraw/zinc/38/22/11/981382211.db2.gz XKGTYOLKPVNFHB-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](CC)[C@H]2C)n1 ZINC001193608329 981382215 /nfs/dbraw/zinc/38/22/15/981382215.db2.gz XKGTYOLKPVNFHB-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN c1nc(CN[C@H]2C=CCCC2)cn1C1CC1 ZINC001348538734 981385516 /nfs/dbraw/zinc/38/55/16/981385516.db2.gz ZIVAZJCEQQABHF-NSHDSACASA-N 0 1 217.316 2.416 20 0 BEADMN c1cc2ncc(-c3cccc4cncn43)cn2n1 ZINC001240436352 981387082 /nfs/dbraw/zinc/38/70/82/981387082.db2.gz MDGIAECIEQESNB-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CC[C@H]1CCN(Cc2nnc(C)s2)[C@@H]1C ZINC001193607017 981398156 /nfs/dbraw/zinc/39/81/56/981398156.db2.gz RVVVTMNZKAIMDR-SCZZXKLOSA-N 0 1 225.361 2.467 20 0 BEADMN CCOc1ncccc1-c1nccc2[nH]cnc21 ZINC001240492078 981411983 /nfs/dbraw/zinc/41/19/83/981411983.db2.gz ZDFIOVYIZRTOFN-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ncccc1-c1cc2nc[nH]c2cn1 ZINC001240493724 981413053 /nfs/dbraw/zinc/41/30/53/981413053.db2.gz DOBLDQBAVTWEKX-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1sccc1-c1ncnc2c1CNC2 ZINC001240498668 981420593 /nfs/dbraw/zinc/42/05/93/981420593.db2.gz CXNPEBFNEXODLZ-UHFFFAOYSA-N 0 1 217.297 2.117 20 0 BEADMN Cc1cnc(-c2cnn(CC3CC3)c2)cc1N ZINC001240512833 981439949 /nfs/dbraw/zinc/43/99/49/981439949.db2.gz OHKYZYAERVPURV-UHFFFAOYSA-N 0 1 228.299 2.246 20 0 BEADMN CCCCCOC(=O)N1CCN(C)C(C)(C)C1 ZINC001193759724 981444647 /nfs/dbraw/zinc/44/46/47/981444647.db2.gz JMRSOCAIHNBFRR-UHFFFAOYSA-N 0 1 242.363 2.339 20 0 BEADMN CCC[C@](C)([NH2+]Cc1nc(C)oc1C)C(=O)[O-] ZINC001595560200 981446852 /nfs/dbraw/zinc/44/68/52/981446852.db2.gz YMMUDVPDPNONPO-LBPRGKRZSA-N 0 1 240.303 2.024 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H](C2CCCC2)C1 ZINC001348842638 981456289 /nfs/dbraw/zinc/45/62/89/981456289.db2.gz OACZLYZXNDXHPI-LBPRGKRZSA-N 0 1 247.342 2.452 20 0 BEADMN Cc1[nH]ncc1-c1cnc(OCC(C)C)nc1 ZINC001240523386 981458360 /nfs/dbraw/zinc/45/83/60/981458360.db2.gz XWQVULFKCWULTD-UHFFFAOYSA-N 0 1 232.287 2.210 20 0 BEADMN Cc1cnc(-c2ccc(N)cc2F)cc1N ZINC001240525225 981461717 /nfs/dbraw/zinc/46/17/17/981461717.db2.gz QEVFDTOEQPYJBX-UHFFFAOYSA-N 0 1 217.247 2.361 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001595579797 981510586 /nfs/dbraw/zinc/51/05/86/981510586.db2.gz XDICMGZMEIXFOU-SECBINFHSA-N 0 1 224.304 2.333 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2CCC[C@H]2C)c1C ZINC001349149205 981512354 /nfs/dbraw/zinc/51/23/54/981512354.db2.gz VSSDMQXPLZMWST-BXKDBHETSA-N 0 1 249.358 2.469 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001349148237 981512527 /nfs/dbraw/zinc/51/25/27/981512527.db2.gz PSMUMCVHCREFCF-NEPJUHHUSA-N 0 1 249.358 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CCC[C@H]2C)c1C ZINC001349149208 981512853 /nfs/dbraw/zinc/51/28/53/981512853.db2.gz VSSDMQXPLZMWST-SKDRFNHKSA-N 0 1 249.358 2.469 20 0 BEADMN CCn1cc(-c2cncc3cc[nH]c32)cn1 ZINC001240649916 981555547 /nfs/dbraw/zinc/55/55/47/981555547.db2.gz MZLBSNDNHIUAGY-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN CCCCCCOC(=O)N1CCN2CC[C@H]2C1 ZINC001194181330 981589278 /nfs/dbraw/zinc/58/92/78/981589278.db2.gz PTLXCXGISDXJDA-LBPRGKRZSA-N 0 1 240.347 2.093 20 0 BEADMN CCCCCCOC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001194195577 981596043 /nfs/dbraw/zinc/59/60/43/981596043.db2.gz PWBDUBGYBMZIDK-LBPRGKRZSA-N 0 1 242.363 2.387 20 0 BEADMN CCCCCCOC(=O)N[C@H]1CCCN(C)C1 ZINC001194195577 981596052 /nfs/dbraw/zinc/59/60/52/981596052.db2.gz PWBDUBGYBMZIDK-LBPRGKRZSA-N 0 1 242.363 2.387 20 0 BEADMN Cc1cnc(-c2cc(F)ccc2[O-])c(C[NH3+])c1 ZINC001240694217 981602467 /nfs/dbraw/zinc/60/24/67/981602467.db2.gz QWTFQVZAPYVLPF-UHFFFAOYSA-N 0 1 232.258 2.360 20 0 BEADMN CC[C@H](NCC(C)=O)c1ccc(F)cc1 ZINC001349647243 981608445 /nfs/dbraw/zinc/60/84/45/981608445.db2.gz SYUVHXMHDZISBZ-LBPRGKRZSA-N 0 1 209.264 2.455 20 0 BEADMN C[C@H](C(=O)Nc1ccc2cc[nH]c2c1)N(C)C ZINC001349661265 981618741 /nfs/dbraw/zinc/61/87/41/981618741.db2.gz GMDAUSYHTLGLRF-SECBINFHSA-N 0 1 231.299 2.057 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001594770254 981737671 /nfs/dbraw/zinc/73/76/71/981737671.db2.gz MULNJVGNYBQTDA-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCO[C@](C)(CC)C1 ZINC001595628018 981779715 /nfs/dbraw/zinc/77/97/15/981779715.db2.gz GKGIVSQADOPWQL-DGCLKSJQSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@H](C)C(=O)NCc1cc(N)ccn1 ZINC001349909307 981809072 /nfs/dbraw/zinc/80/90/72/981809072.db2.gz XHZYXJRWCXNHNS-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN Cc1ccc(OC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC001194473395 981812324 /nfs/dbraw/zinc/81/23/24/981812324.db2.gz UBGPLSJJYKLXFU-GFCCVEGCSA-N 0 1 248.326 2.178 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1Cc2ccncc2C1 ZINC001595630243 981816976 /nfs/dbraw/zinc/81/69/76/981816976.db2.gz ZJNBRZWQKZIWBX-LBPRGKRZSA-N 0 1 234.299 2.041 20 0 BEADMN Cc1ccc(OC(=O)N(C)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001194445165 981821077 /nfs/dbraw/zinc/82/10/77/981821077.db2.gz JCNXHTFPZHVGLB-LBPRGKRZSA-N 0 1 248.326 2.130 20 0 BEADMN COC(=O)[C@H](C)c1nc2cc(C)cc(C)c2[nH]1 ZINC001250577732 981826247 /nfs/dbraw/zinc/82/62/47/981826247.db2.gz WPSKLZJBCZBZAX-SECBINFHSA-N 0 1 232.283 2.456 20 0 BEADMN O=C(NC1CC=CC1)c1ccc(Cl)c(O)c1 ZINC001583686696 981831268 /nfs/dbraw/zinc/83/12/68/981831268.db2.gz PRZMEAHEYFVQFC-UHFFFAOYSA-N 0 1 237.686 2.494 20 0 BEADMN c1cc2ccc(-c3cc4c(nn3)CNC4)cc2[nH]1 ZINC001240797003 981841385 /nfs/dbraw/zinc/84/13/85/981841385.db2.gz QVFMJRMBDIQFSA-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H]2CC23CCC3)n[nH]1 ZINC001350051056 981854286 /nfs/dbraw/zinc/85/42/86/981854286.db2.gz BQQHYDXHKGRTAU-BDAKNGLRSA-N 0 1 249.314 2.162 20 0 BEADMN O=C(OCc1nnc[nH]1)C1CC2(C1)CCCCC2 ZINC001350130232 981880216 /nfs/dbraw/zinc/88/02/16/981880216.db2.gz LPROJFYQDZTFIN-UHFFFAOYSA-N 0 1 249.314 2.208 20 0 BEADMN FC1(F)C[C@H]2CN(Cc3cnoc3)C[C@H]2C1 ZINC001205677969 981938667 /nfs/dbraw/zinc/93/86/67/981938667.db2.gz RMVGWEUKDIKQAO-AOOOYVTPSA-N 0 1 228.242 2.152 20 0 BEADMN NCc1ncc(-c2cccc3cccnc32)cn1 ZINC001240894365 981945496 /nfs/dbraw/zinc/94/54/96/981945496.db2.gz GGBBCLCUBDEZOT-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN Cc1[nH]nc(CNC(=O)CCCC2CC2)c1C ZINC001350377448 981955477 /nfs/dbraw/zinc/95/54/77/981955477.db2.gz VJWKCKGUABTGMH-UHFFFAOYSA-N 0 1 235.331 2.223 20 0 BEADMN COCc1cccc(CSCc2nnc[nH]2)c1 ZINC001350502664 981990638 /nfs/dbraw/zinc/99/06/38/981990638.db2.gz YKJGKTCGHRMZNM-UHFFFAOYSA-N 0 1 249.339 2.385 20 0 BEADMN c1cnc2cccc(-c3ncnc4c3CNC4)c2c1 ZINC001240934700 982007735 /nfs/dbraw/zinc/00/77/35/982007735.db2.gz PLQOUWDSAMDBGX-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCC[C@H](SC[C@@H]1CCC[N@H+]1C)C(=O)[O-] ZINC001595654976 982042739 /nfs/dbraw/zinc/04/27/39/982042739.db2.gz GUHVEXSPXZALSV-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCC[C@H](F)C1 ZINC001350975760 982145244 /nfs/dbraw/zinc/14/52/44/982145244.db2.gz MZVIBKBIBNCSCE-HGNGGELXSA-N 0 1 227.283 2.309 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001594873056 982191640 /nfs/dbraw/zinc/19/16/40/982191640.db2.gz IXACKKBTFBBFMX-KKOKHZNYSA-N 0 1 225.332 2.360 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCCSC ZINC001594874347 982200526 /nfs/dbraw/zinc/20/05/26/982200526.db2.gz BRMFHELNYRDUAI-NXEZZACHSA-N 0 1 233.377 2.171 20 0 BEADMN NCc1ncc(-c2cc(F)cc(F)c2F)cn1 ZINC001241093226 982205197 /nfs/dbraw/zinc/20/51/97/982205197.db2.gz CRZUQEQDYMNVPA-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H]1C ZINC001594876133 982211998 /nfs/dbraw/zinc/21/19/98/982211998.db2.gz KFPCBVMUIBWFSN-UKKRHICBSA-N 0 1 213.321 2.216 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001594876829 982215788 /nfs/dbraw/zinc/21/57/88/982215788.db2.gz NJYSPFYKKYBWJH-HHHUOAJASA-N 0 1 227.348 2.462 20 0 BEADMN CCOc1cccc(-c2ncnc3c2CNC3)c1 ZINC001241113310 982223495 /nfs/dbraw/zinc/22/34/95/982223495.db2.gz LGXITBCXSLIKET-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN CCOc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001241115000 982230723 /nfs/dbraw/zinc/23/07/23/982230723.db2.gz NQSCYCYJLRFSRH-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN CNc1ccnc(-c2c(F)cc(O)cc2F)n1 ZINC001241118030 982233857 /nfs/dbraw/zinc/23/38/57/982233857.db2.gz CYTJTTWFIDVZMU-UHFFFAOYSA-N 0 1 237.209 2.169 20 0 BEADMN Nc1cc(-c2nccc3[nH]ccc32)ccn1 ZINC001241151012 982284905 /nfs/dbraw/zinc/28/49/05/982284905.db2.gz FJUWIZJUDJXOGN-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CCCCCC[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001595709309 982292535 /nfs/dbraw/zinc/29/25/35/982292535.db2.gz ZEFJBNATPDDZRV-LBPRGKRZSA-N 0 1 245.363 2.377 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CCSCC1)C1CC1 ZINC001588592541 982333460 /nfs/dbraw/zinc/33/34/60/982333460.db2.gz ABZONCGLSSNEHS-SECBINFHSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CCSCC1)C1CC1 ZINC001588592542 982334709 /nfs/dbraw/zinc/33/47/09/982334709.db2.gz ABZONCGLSSNEHS-VIFPVBQESA-N 0 1 243.372 2.067 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC001588596817 982337334 /nfs/dbraw/zinc/33/73/34/982337334.db2.gz GCSFMXYOIYCJHJ-MFKMUULPSA-N 0 1 237.274 2.030 20 0 BEADMN CO[C@H](C)C1CN(Cc2ccc(C)o2)C1 ZINC001203302215 982344338 /nfs/dbraw/zinc/34/43/38/982344338.db2.gz WUWGWQMTYQIFBA-SNVBAGLBSA-N 0 1 209.289 2.055 20 0 BEADMN COc1ccc(CNCC=C(C)C)nc1 ZINC001352022298 982436889 /nfs/dbraw/zinc/43/68/89/982436889.db2.gz NWANXDBIABLCFJ-UHFFFAOYSA-N 0 1 206.289 2.146 20 0 BEADMN CN1CC=C(c2nccc(C(C)(C)C)n2)CC1 ZINC001241307679 982441289 /nfs/dbraw/zinc/44/12/89/982441289.db2.gz DQVVPGWSDXWSAI-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CSc1cc(C2=CCN(C)CC2)nc(C)n1 ZINC001241309290 982450791 /nfs/dbraw/zinc/45/07/91/982450791.db2.gz PUPOTDHVFDUVQC-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN Cc1ccc(F)c(C2=CCN(C)CC2)n1 ZINC001241308097 982453135 /nfs/dbraw/zinc/45/31/35/982453135.db2.gz HKFCFEYCJPVSBB-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CC[C@H](C)Oc1nccnc1C1=CCN(C)CC1 ZINC001241318150 982472631 /nfs/dbraw/zinc/47/26/31/982472631.db2.gz ZWEZEROIGDVTSW-NSHDSACASA-N 0 1 247.342 2.373 20 0 BEADMN CN1CC=C(c2ccc3[nH]cnc3c2F)CC1 ZINC001241331839 982497005 /nfs/dbraw/zinc/49/70/05/982497005.db2.gz AHFBUUPUYIWLQG-UHFFFAOYSA-N 0 1 231.274 2.421 20 0 BEADMN CC(C)COc1ncc(C2=CCN(C)CC2)cn1 ZINC001241332181 982497243 /nfs/dbraw/zinc/49/72/43/982497243.db2.gz FGOHXJFIZGBFHE-UHFFFAOYSA-N 0 1 247.342 2.230 20 0 BEADMN CN(C)c1ccc(-c2cccc3cncn32)cn1 ZINC001241370480 982532841 /nfs/dbraw/zinc/53/28/41/982532841.db2.gz FGNGVBOBKPEBKR-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN c1cnc2ccc(-c3ncnc4c3CNC4)cc2c1 ZINC001241396187 982550919 /nfs/dbraw/zinc/55/09/19/982550919.db2.gz SQUOPCRZBVPRMN-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CC(C)c1cccc2c1CC[N@@H+](CC(=O)[O-])C2 ZINC001588969414 982553484 /nfs/dbraw/zinc/55/34/84/982553484.db2.gz FFKKRXADIOPORF-UHFFFAOYSA-N 0 1 233.311 2.253 20 0 BEADMN COCCCN1CCCC[C@H]1c1ncccn1 ZINC001197450207 982564547 /nfs/dbraw/zinc/56/45/47/982564547.db2.gz PPYZSXDRKOHAMW-LBPRGKRZSA-N 0 1 235.331 2.040 20 0 BEADMN CC1(CN2CCCC[C@H]2c2ncccn2)COC1 ZINC001197451381 982570384 /nfs/dbraw/zinc/57/03/84/982570384.db2.gz VOJMJCHQIDEENE-LBPRGKRZSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001589033850 982586168 /nfs/dbraw/zinc/58/61/68/982586168.db2.gz GISYLDKIVKNMSE-DGCLKSJQSA-N 0 1 247.338 2.369 20 0 BEADMN CCc1nc(C)c(CN(CCOC)C(C)C)[nH]1 ZINC001203242551 982587563 /nfs/dbraw/zinc/58/75/63/982587563.db2.gz BUOPRVSTJLXUJP-UHFFFAOYSA-N 0 1 239.363 2.137 20 0 BEADMN COCC1(C2CC2)CN(Cc2ncccc2C)C1 ZINC001352875501 982613454 /nfs/dbraw/zinc/61/34/54/982613454.db2.gz GBCYMRJUFGHNRZ-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CCC[C@@H](C)NC(=O)c1ccc2n1CCN[C@H]2C ZINC001353102701 982695621 /nfs/dbraw/zinc/69/56/21/982695621.db2.gz PGNOJEMNVHUPBJ-MNOVXSKESA-N 0 1 249.358 2.071 20 0 BEADMN CCC[C@H](C)NC(=O)c1ccc2n1CCN[C@H]2C ZINC001353102702 982696976 /nfs/dbraw/zinc/69/69/76/982696976.db2.gz PGNOJEMNVHUPBJ-QWRGUYRKSA-N 0 1 249.358 2.071 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[Si](C)(C)C ZINC001589308578 982714808 /nfs/dbraw/zinc/71/48/08/982714808.db2.gz VPDMMHUQRFBGPP-ZJUUUORDSA-N 0 1 229.396 2.049 20 0 BEADMN C[C@@H]1CCc2c1n[nH]c2C(=O)N[C@@H]1CC=CCC1 ZINC001198461198 982731573 /nfs/dbraw/zinc/73/15/73/982731573.db2.gz BGRNVBKMCAZOLI-NXEZZACHSA-N 0 1 245.326 2.298 20 0 BEADMN CCC=CNC(=O)c1[nH]nc2c1CC[C@H]2C ZINC001198461171 982732064 /nfs/dbraw/zinc/73/20/64/982732064.db2.gz AXESOYBVCDTAGU-RXLGXGPVSA-N 0 1 219.288 2.113 20 0 BEADMN C[C@H]1CCc2c1n[nH]c2C(=O)N[C@@H]1CC=CCC1 ZINC001198461200 982733756 /nfs/dbraw/zinc/73/37/56/982733756.db2.gz BGRNVBKMCAZOLI-VHSXEESVSA-N 0 1 245.326 2.298 20 0 BEADMN CCOc1ncc(-c2cccc3cncn32)cn1 ZINC001241553464 982770588 /nfs/dbraw/zinc/77/05/88/982770588.db2.gz QUKSLUFGXSSMKJ-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN Cc1ccc(C2=CCCN(C)C2)nc1F ZINC001241564772 982802067 /nfs/dbraw/zinc/80/20/67/982802067.db2.gz BHWAMRVBHMBZBC-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CC(C)c1cc(C2=CCCN(C)C2)ncn1 ZINC001241564843 982803146 /nfs/dbraw/zinc/80/31/46/982803146.db2.gz BREVBHSUEYGWEJ-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CCC=C(c2nccc(C(C)(C)C)n2)C1 ZINC001241565673 982806379 /nfs/dbraw/zinc/80/63/79/982806379.db2.gz NQHXBTSATMCSOF-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN Cc1cc(F)cnc1C1=CCCN(C)C1 ZINC001241566539 982809224 /nfs/dbraw/zinc/80/92/24/982809224.db2.gz YFQMNVKRWOBERY-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN COc1cccc(C2=CCCN(C)C2)c1OC ZINC001241568089 982811408 /nfs/dbraw/zinc/81/14/08/982811408.db2.gz AHYBOVGXJVLZST-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN CN1CCC=C(c2cc(C3CCC3)ncn2)C1 ZINC001241568058 982811562 /nfs/dbraw/zinc/81/15/62/982811562.db2.gz NFRAJARGTNGJGI-UHFFFAOYSA-N 0 1 229.327 2.463 20 0 BEADMN CC(=O)Nc1c(C)ccnc1C1=CCCN(C)C1 ZINC001241567055 982813151 /nfs/dbraw/zinc/81/31/51/982813151.db2.gz IGWJVLNFGLKUQH-UHFFFAOYSA-N 0 1 245.326 2.067 20 0 BEADMN Cc1cnc(F)c(C2=CCCN(C)C2)c1 ZINC001241568161 982813319 /nfs/dbraw/zinc/81/33/19/982813319.db2.gz CEVHNAYMYRWWQL-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2ncc3c(n2)CCCC3)C1 ZINC001241568866 982816644 /nfs/dbraw/zinc/81/66/44/982816644.db2.gz LAERLHNIDZXOMA-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CCc1cc(CC)nc(C2=CCCN(C)C2)n1 ZINC001241569030 982818122 /nfs/dbraw/zinc/81/81/22/982818122.db2.gz PDYFVEKKLNUBHS-UHFFFAOYSA-N 0 1 231.343 2.320 20 0 BEADMN COc1nc(C)ccc1C1=CCCN(C)C1 ZINC001241570022 982821259 /nfs/dbraw/zinc/82/12/59/982821259.db2.gz ARCVBISPNUCMTC-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CCC=C(c2cnc3[nH]ccc3c2F)C1 ZINC001241570953 982821972 /nfs/dbraw/zinc/82/19/72/982821972.db2.gz RITWJPRWMLYIQD-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN CN1CCC=C(c2ccnc(OC(F)F)c2)C1 ZINC001241571147 982823019 /nfs/dbraw/zinc/82/30/19/982823019.db2.gz UPQSONWOOCQSAY-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN Nc1ccnc(-c2cccc3c[nH]nc32)c1 ZINC001241619485 982851722 /nfs/dbraw/zinc/85/17/22/982851722.db2.gz VSTQYBMSWGDSCA-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CSc1ncc(-c2nccc3c2CCN3)cn1 ZINC001241624346 982862372 /nfs/dbraw/zinc/86/23/72/982862372.db2.gz AHPGXODAPCMEAN-UHFFFAOYSA-N 0 1 244.323 2.229 20 0 BEADMN CSc1ncc(-c2cncc3nc[nH]c32)cn1 ZINC001241627480 982863385 /nfs/dbraw/zinc/86/33/85/982863385.db2.gz MDFCLSCSHFFSAQ-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN Cc1[nH]nc2cc(-c3cn(C)cn3)ccc12 ZINC001241639789 982878275 /nfs/dbraw/zinc/87/82/75/982878275.db2.gz QJXZXWZQETZLIF-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1[nH]nc2cc(-c3cccc(=O)n3C)ccc12 ZINC001241639490 982878715 /nfs/dbraw/zinc/87/87/15/982878715.db2.gz BIHYBHBZXUBDBY-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1cc2[nH]ccc2c(-c2cnc(N)nc2C)n1 ZINC001241642950 982879770 /nfs/dbraw/zinc/87/97/70/982879770.db2.gz GXVXNFUZCFTVCT-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)c(F)cn1 ZINC001241664573 982896829 /nfs/dbraw/zinc/89/68/29/982896829.db2.gz LGILKTNAQXGGAY-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnnc(-c2ccc3n[nH]c(C)c3c2)c1 ZINC001241665595 982901280 /nfs/dbraw/zinc/90/12/80/982901280.db2.gz GGJXNBUOKVOUSB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccnc(F)n3)cc12 ZINC001241667326 982901774 /nfs/dbraw/zinc/90/17/74/982901774.db2.gz BVJWHNWOPNFGMH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cc(-c2ccc3[nH]cnc3c2)ncn1 ZINC001241679914 982928860 /nfs/dbraw/zinc/92/88/60/982928860.db2.gz CMSVZINHUQLAMZ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cc(C)nc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685103 982931457 /nfs/dbraw/zinc/93/14/57/982931457.db2.gz DOKKFTCJCRPLQB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Nc1cccnc1-c1ccc2nc[nH]c2c1 ZINC001241685750 982933233 /nfs/dbraw/zinc/93/32/33/982933233.db2.gz PPNBYGWUEJBFLG-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COCc1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685507 982934747 /nfs/dbraw/zinc/93/47/47/982934747.db2.gz NOXVSUCSWQFXMW-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN Nc1ncccc1-c1ccc2nc[nH]c2c1 ZINC001241691697 982944418 /nfs/dbraw/zinc/94/44/18/982944418.db2.gz RRZFSKRZAVSJPN-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1nccc(F)c1-c1ccc2[nH]cnc2c1 ZINC001241690972 982945469 /nfs/dbraw/zinc/94/54/69/982945469.db2.gz GLMQBFLZIZLOQM-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN c1nc2cc(-c3ccn4cnnc4c3)ccc2[nH]1 ZINC001241691348 982947079 /nfs/dbraw/zinc/94/70/79/982947079.db2.gz MWDFOKRRHFJMOS-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC001118251768 982948779 /nfs/dbraw/zinc/94/87/79/982948779.db2.gz UTAJCEQERQTMAT-SNVBAGLBSA-N 0 1 249.310 2.042 20 0 BEADMN O=C1NCc2cc(-c3ccc4nc[nH]c4c3)ccc21 ZINC001241691715 982949079 /nfs/dbraw/zinc/94/90/79/982949079.db2.gz SFZNMPXISJRRQI-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN CC(C)CC(=O)NCc1[nH]nc2ccccc21 ZINC000082277289 982957796 /nfs/dbraw/zinc/95/77/96/982957796.db2.gz JULRCGZSDGVZFG-UHFFFAOYSA-N 0 1 231.299 2.225 20 0 BEADMN CCn1cc(-c2ccc3nc[nH]c3c2)ccc1=O ZINC001241697884 982959541 /nfs/dbraw/zinc/95/95/41/982959541.db2.gz OHFGVAAPOWUCPL-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN Cc1nc2c(cncc2-c2ccc(F)cn2)[nH]1 ZINC001241809221 983066546 /nfs/dbraw/zinc/06/65/46/983066546.db2.gz FQIDRJURLUETLS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc2c[nH]cc(-c3ccc(F)cn3)c-2n1 ZINC001241809221 983066553 /nfs/dbraw/zinc/06/65/53/983066553.db2.gz FQIDRJURLUETLS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC(C)[C@H]1COCCN1C[C@@H](O)c1ccccc1 ZINC001251991224 983067529 /nfs/dbraw/zinc/06/75/29/983067529.db2.gz LBWXFQJEUKJNHS-HUUCEWRRSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1cc(OCc2cnsn2)cc(C)n1 ZINC001353921984 983079407 /nfs/dbraw/zinc/07/94/07/983079407.db2.gz KUCRKJDSHATPSX-UHFFFAOYSA-N 0 1 221.285 2.129 20 0 BEADMN CC(C)Cc1ccccc1COCc1nn[nH]n1 ZINC001353925076 983085196 /nfs/dbraw/zinc/08/51/96/983085196.db2.gz DDLKJBNKTKCTPO-UHFFFAOYSA-N 0 1 246.314 2.115 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]1C(C)(C)C ZINC001353979580 983107113 /nfs/dbraw/zinc/10/71/13/983107113.db2.gz VPEATUXGFXNESD-ZYHUDNBSSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)ncc1F ZINC001241937926 983150554 /nfs/dbraw/zinc/15/05/54/983150554.db2.gz DCMAGHZXDSTKMH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)ncc1F ZINC001241937926 983150562 /nfs/dbraw/zinc/15/05/62/983150562.db2.gz DCMAGHZXDSTKMH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)nnc1C ZINC001241940503 983153515 /nfs/dbraw/zinc/15/35/15/983153515.db2.gz LSBVOIQOIUJUQY-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)cnc1F ZINC001241941033 983154136 /nfs/dbraw/zinc/15/41/36/983154136.db2.gz BDONPJSQGWVKET-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)cnc1F ZINC001241941033 983154139 /nfs/dbraw/zinc/15/41/39/983154139.db2.gz BDONPJSQGWVKET-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Fc1cc(-c2ccc3[nH]nnc3c2)cc(F)n1 ZINC001241940243 983155456 /nfs/dbraw/zinc/15/54/56/983155456.db2.gz AEERLUUIAKKUES-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Fc1cc(-c2ccc3nn[nH]c3c2)cc(F)n1 ZINC001241940243 983155464 /nfs/dbraw/zinc/15/54/64/983155464.db2.gz AEERLUUIAKKUES-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Cc1c(F)nccc1-c1ccc2[nH]nnc2c1 ZINC001241940904 983156075 /nfs/dbraw/zinc/15/60/75/983156075.db2.gz SMDFQKKWAHGWSY-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c(F)nccc1-c1ccc2nn[nH]c2c1 ZINC001241940904 983156082 /nfs/dbraw/zinc/15/60/82/983156082.db2.gz SMDFQKKWAHGWSY-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1nc(C)cc(-c2ccc3nn[nH]c3c2)n1 ZINC001241939645 983157500 /nfs/dbraw/zinc/15/75/00/983157500.db2.gz CRHWRAUHAYYAEU-UHFFFAOYSA-N 0 1 239.282 2.286 20 0 BEADMN CN(C)c1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001241942028 983160967 /nfs/dbraw/zinc/16/09/67/983160967.db2.gz IJMWQAMUHYXWSO-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001241942028 983160973 /nfs/dbraw/zinc/16/09/73/983160973.db2.gz IJMWQAMUHYXWSO-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)nc1C ZINC001241943180 983162764 /nfs/dbraw/zinc/16/27/64/983162764.db2.gz ACSDXZIAYXFWFE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)nc1C ZINC001241943180 983162766 /nfs/dbraw/zinc/16/27/66/983162766.db2.gz ACSDXZIAYXFWFE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(N)c(N=C2CCSCC2)n1 ZINC001201332228 983180481 /nfs/dbraw/zinc/18/04/81/983180481.db2.gz MMZUHOCXZDSLCC-UHFFFAOYSA-N 0 1 237.328 2.105 20 0 BEADMN Cc1ncc2n1CCN(C[C@H]1CC=CCC1)C2 ZINC001201408671 983207566 /nfs/dbraw/zinc/20/75/66/983207566.db2.gz IFVCLRYYNUDEHI-ZDUSSCGKSA-N 0 1 231.343 2.363 20 0 BEADMN Cc1cc(C)cc(CNc2nccnc2CN)c1 ZINC001354234431 983215125 /nfs/dbraw/zinc/21/51/25/983215125.db2.gz FRIZPSBFVVMWSH-UHFFFAOYSA-N 0 1 242.326 2.164 20 0 BEADMN FC1(F)COC2(CN(C[C@@H]3CC=CCC3)C2)C1 ZINC001201422023 983219575 /nfs/dbraw/zinc/21/95/75/983219575.db2.gz FWBPKKHRLRQINN-LLVKDONJSA-N 0 1 243.297 2.453 20 0 BEADMN Cc1noc(C)c1-c1cc2[nH]nnc2cc1F ZINC001242106084 983349794 /nfs/dbraw/zinc/34/97/94/983349794.db2.gz CQLLSHMIGQSYJA-UHFFFAOYSA-N 0 1 232.218 2.369 20 0 BEADMN CC(C)CCN1CC(N2CCC(F)(F)C2)C1 ZINC001201624259 983380766 /nfs/dbraw/zinc/38/07/66/983380766.db2.gz QLFBDKPWGKIWON-UHFFFAOYSA-N 0 1 232.318 2.058 20 0 BEADMN CCCN1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001201643541 983399874 /nfs/dbraw/zinc/39/98/74/983399874.db2.gz QVFYHSPMOWKBPN-UHFFFAOYSA-N 0 1 230.355 2.357 20 0 BEADMN COc1ncnc(-c2ccc(F)cc2O)c1C ZINC001242216157 983411705 /nfs/dbraw/zinc/41/17/05/983411705.db2.gz OPCKTVCXBMYXOD-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN O=C1Cc2ccnc(-c3ccc(F)cc3O)c2N1 ZINC001242216695 983413214 /nfs/dbraw/zinc/41/32/14/983413214.db2.gz XJCPOTJKGYCANQ-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN Cc1cc(-c2ccc(F)cc2O)ncn1 ZINC001242217361 983414415 /nfs/dbraw/zinc/41/44/15/983414415.db2.gz YPLMCVGFJQTBEU-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1cnc(-c2ccc(F)cc2O)c(N)c1 ZINC001242216860 983416157 /nfs/dbraw/zinc/41/61/57/983416157.db2.gz ZZXYMFRZPSWIAU-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Oc1cc(F)ccc1-c1ccnc(F)n1 ZINC001242217399 983416931 /nfs/dbraw/zinc/41/69/31/983416931.db2.gz HAGWDRGWHBFLNH-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1ccc(C(N)=O)c(-c2ccc(F)cc2O)n1 ZINC001242218326 983418647 /nfs/dbraw/zinc/41/86/47/983418647.db2.gz SFLJZGDHXBGOTR-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Cn1ccc2nc(-c3ccc(F)cc3O)cnc21 ZINC001242221120 983424859 /nfs/dbraw/zinc/42/48/59/983424859.db2.gz PSFRZUHTPMHBPF-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN CC(C)Oc1ccccc1-c1cnc(CN)nc1 ZINC001242223266 983428108 /nfs/dbraw/zinc/42/81/08/983428108.db2.gz ZCEVGJUAPUEYAQ-UHFFFAOYSA-N 0 1 243.310 2.390 20 0 BEADMN CCCCCN1CCC(=O)[C@H](F)CC1 ZINC001201725208 983430825 /nfs/dbraw/zinc/43/08/25/983430825.db2.gz LFFFLPRKDQSJCZ-SNVBAGLBSA-N 0 1 201.285 2.180 20 0 BEADMN c1cc2cc(-c3ncnc4c3CNC4)ccc2cn1 ZINC001242243997 983454091 /nfs/dbraw/zinc/45/40/91/983454091.db2.gz ZOHFNLIDXYDLRL-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN c1cnc2cc(-c3cc4c(nn3)CNC4)ccc2c1 ZINC001242249339 983461537 /nfs/dbraw/zinc/46/15/37/983461537.db2.gz RDNGNRJDAHFTPO-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCC=Cc1nc2nc[nH]c2c(C)n1 ZINC001242252019 983469475 /nfs/dbraw/zinc/46/94/75/983469475.db2.gz YWKXRNRVXBBJNB-AATRIKPKSA-N 0 1 202.261 2.426 20 0 BEADMN c1ccc(COC2CN(CC3CC3)C2)cc1 ZINC001201932658 983501929 /nfs/dbraw/zinc/50/19/29/983501929.db2.gz CJCQVMFEOFWFKW-UHFFFAOYSA-N 0 1 217.312 2.297 20 0 BEADMN Cc1c(F)c(F)ccc1-c1ncnc2c1CNC2 ZINC001242305328 983528461 /nfs/dbraw/zinc/52/84/61/983528461.db2.gz SYAOWYJSCAYJAN-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN Cc1cc2n[nH]cc2cc1NCc1cnc[nH]1 ZINC001201989954 983536144 /nfs/dbraw/zinc/53/61/44/983536144.db2.gz TXXSGIYGQDRPMX-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN FC1(F)CCN(C2CN(CC3CCCC3)C2)C1 ZINC001202166906 983579784 /nfs/dbraw/zinc/57/97/84/983579784.db2.gz JEPMRVUPSWWXCK-UHFFFAOYSA-N 0 1 244.329 2.202 20 0 BEADMN Oc1c(F)cccc1-c1ncnc2c1CCC2 ZINC001242348167 983608261 /nfs/dbraw/zinc/60/82/61/983608261.db2.gz OZICTQYAUDRIHZ-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN Cc1ccc(-c2cccc(F)c2O)nc1N ZINC001242349051 983611644 /nfs/dbraw/zinc/61/16/44/983611644.db2.gz GIJWBXRMPPQHNE-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN COCc1cc(-c2cccc(F)c2O)nc(C)n1 ZINC001242349334 983612037 /nfs/dbraw/zinc/61/20/37/983612037.db2.gz GNKXSWDBDVTHBE-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN COC(=O)c1cccc(-c2cccc(F)c2O)n1 ZINC001242348710 983612138 /nfs/dbraw/zinc/61/21/38/983612138.db2.gz ZLVNNFIAORPYJK-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN O=C1Cc2ccnc(-c3cccc(F)c3O)c2N1 ZINC001242349841 983614663 /nfs/dbraw/zinc/61/46/63/983614663.db2.gz VMFWPFWBFRKGQH-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN Oc1c(F)cccc1-c1cccc2[nH]nnc21 ZINC001242350825 983618525 /nfs/dbraw/zinc/61/85/25/983618525.db2.gz MONYHDXZGSADIF-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1c(F)cccc1-c1ncnn2cccc12 ZINC001242352362 983628985 /nfs/dbraw/zinc/62/89/85/983628985.db2.gz UIKPERTZQOWFST-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN Cc1ncc2n1CCN(CCCC(F)(F)F)C2 ZINC001202394813 983655659 /nfs/dbraw/zinc/65/56/59/983655659.db2.gz JXARJHIRKCDOFN-UHFFFAOYSA-N 0 1 247.264 2.350 20 0 BEADMN Cn1ccc(-c2cccc(Cl)c2O)n1 ZINC001242365454 983656015 /nfs/dbraw/zinc/65/60/15/983656015.db2.gz OKGMENNRZZPFTI-UHFFFAOYSA-N 0 1 208.648 2.446 20 0 BEADMN CCn1cc([C@H](C)NCc2ccc(F)nc2)cn1 ZINC001202396370 983656551 /nfs/dbraw/zinc/65/65/51/983656551.db2.gz AVPCVMJZALFEDS-JTQLQIEISA-N 0 1 248.305 2.288 20 0 BEADMN CCn1ccc(CNc2ccc3c(n2)CCC3)n1 ZINC001202444504 983663786 /nfs/dbraw/zinc/66/37/86/983663786.db2.gz GQFLLZOCFVGYRR-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN Cc1coc(CNc2cccc3[nH]nnc32)c1 ZINC001202466053 983675287 /nfs/dbraw/zinc/67/52/87/983675287.db2.gz IVEWFDXALACPNF-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CC(=O)c1ccc(-c2cncc3nc[nH]c32)cn1 ZINC001242400335 983683630 /nfs/dbraw/zinc/68/36/30/983683630.db2.gz IGEXESSHZWYOBB-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CCCC[C@@H](O)CNCC(=O)c1ccc(C)cc1 ZINC001252113500 983700671 /nfs/dbraw/zinc/70/06/71/983700671.db2.gz DXZKZRCUAGXNEP-CQSZACIVSA-N 0 1 249.354 2.318 20 0 BEADMN COc1cc(-c2nccc(N)c2C)c(OC)cn1 ZINC001242425723 983726079 /nfs/dbraw/zinc/72/60/79/983726079.db2.gz YDRZKLQBMXHFBI-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN COc1ncc(-c2cc3[nH]cnc3cn2)cc1C ZINC001242430575 983729987 /nfs/dbraw/zinc/72/99/87/983729987.db2.gz WLWZVECGXILOJW-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2cncc3nc[nH]c32)cc1C ZINC001242434426 983735091 /nfs/dbraw/zinc/73/50/91/983735091.db2.gz VVXYNOKEFBWMEJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)n1ccc(-c2ccc3nn[nH]c3c2)n1 ZINC001242455248 983756247 /nfs/dbraw/zinc/75/62/47/983756247.db2.gz ZHFAAGCRYCJYQJ-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC[N@@H+](CCCSC(C)(C)C)CC(=O)[O-] ZINC001596329580 983768055 /nfs/dbraw/zinc/76/80/55/983768055.db2.gz YZOOFNNYUCAHDD-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN Nc1ccnc(-c2cnn(C(F)(F)F)c2)c1 ZINC001242461363 983783700 /nfs/dbraw/zinc/78/37/00/983783700.db2.gz HAEKTWHYOIVROE-UHFFFAOYSA-N 0 1 228.177 2.004 20 0 BEADMN Cn1ccc(-c2cc(F)c3c(c2)CN(C)CC3)n1 ZINC001242461276 983785333 /nfs/dbraw/zinc/78/53/33/983785333.db2.gz BNSLWSAWVQIFHS-UHFFFAOYSA-N 0 1 245.301 2.214 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccnc(Cl)c1 ZINC000379835454 983799306 /nfs/dbraw/zinc/79/93/06/983799306.db2.gz ZQDWUBHIRPDSKF-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN CCc1ncc(CNCc2cnccc2C)cn1 ZINC001202513303 983840958 /nfs/dbraw/zinc/84/09/58/983840958.db2.gz LVGZAEJIOYIOCR-UHFFFAOYSA-N 0 1 242.326 2.032 20 0 BEADMN OCc1ccc(-c2cccc3[nH]nnc32)cc1F ZINC001242532762 983855059 /nfs/dbraw/zinc/85/50/59/983855059.db2.gz AZPQZTYIUWJKST-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC(C)NC(=O)Nc1ccc(F)c(F)c1O ZINC001202526935 983867846 /nfs/dbraw/zinc/86/78/46/983867846.db2.gz ARPORSHZQIJWDC-UHFFFAOYSA-N 0 1 230.214 2.200 20 0 BEADMN CC[N@@H+](Cc1occc1C)CC1(C(=O)[O-])CC1 ZINC001596380460 983901373 /nfs/dbraw/zinc/90/13/73/983901373.db2.gz IJOTZZDVEAWTRM-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC001137080415 983919459 /nfs/dbraw/zinc/91/94/59/983919459.db2.gz HAPPDDAQJGCYDO-CQSZACIVSA-N 0 1 249.358 2.265 20 0 BEADMN c1nc2ncnc(OC3CCCCC3)c2[nH]1 ZINC000150022695 983964954 /nfs/dbraw/zinc/96/49/54/983964954.db2.gz UAPKUSSHIIMXGE-UHFFFAOYSA-N 0 1 218.260 2.064 20 0 BEADMN CC(=O)c1cc(-c2cncc3nc[nH]c32)ccn1 ZINC001242610467 983972283 /nfs/dbraw/zinc/97/22/83/983972283.db2.gz OPHCDKSGQJKPAG-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC(=O)c1cc(-c2cccc3[nH]nnc32)ccn1 ZINC001242611622 983980910 /nfs/dbraw/zinc/98/09/10/983980910.db2.gz YTIWSNGWXWSEEZ-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN COC[C@@H]1CCN1Cc1[nH]nc2c1cccc2C ZINC001137152160 983980851 /nfs/dbraw/zinc/98/08/51/983980851.db2.gz JLEMMIKFOSBWFQ-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CN(C)Cc1ccc(-c2c[nH]c(=O)c(F)c2)nc1 ZINC001242614458 983988574 /nfs/dbraw/zinc/98/85/74/983988574.db2.gz WJZXEPBCNMXPPY-UHFFFAOYSA-N 0 1 247.273 2.050 20 0 BEADMN COC(CN(C)Cc1cc(C)cs1)OC ZINC001137158515 984005417 /nfs/dbraw/zinc/00/54/17/984005417.db2.gz WDFNESJKXIFAON-UHFFFAOYSA-N 0 1 229.345 2.107 20 0 BEADMN Cc1ccc(CO)cc1-c1cccc2[nH]nnc21 ZINC001242668122 984036482 /nfs/dbraw/zinc/03/64/82/984036482.db2.gz YJBBLMPLGNBZQI-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCC[N@@H+](CC)CC1(C)CCN(C(=O)[O-])CC1 ZINC001573752151 984041959 /nfs/dbraw/zinc/04/19/59/984041959.db2.gz DCUICFOZERNJBJ-UHFFFAOYSA-N 0 1 242.363 2.498 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001573889638 984052198 /nfs/dbraw/zinc/05/21/98/984052198.db2.gz PPZGJPZVUCXRKP-NSHDSACASA-N 0 1 236.315 2.191 20 0 BEADMN COc1cc(-c2cc3[nH]cnc3cn2)cc(C)n1 ZINC001242744348 984098718 /nfs/dbraw/zinc/09/87/18/984098718.db2.gz LNLVIRFQQGHMLD-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C/C=C(\C)c1cccc(N2CCN(C)CC2)n1 ZINC001242757075 984113431 /nfs/dbraw/zinc/11/34/31/984113431.db2.gz VOIIYIRPVLRZDJ-UUILKARUSA-N 0 1 231.343 2.257 20 0 BEADMN C/C=C(\C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001242760836 984126409 /nfs/dbraw/zinc/12/64/09/984126409.db2.gz YCOBDKGGCVRTKD-XVNBXDOJSA-N 0 1 218.235 2.429 20 0 BEADMN Cc1cnc(-c2cc(O)ccc2F)cc1N ZINC001242761874 984130183 /nfs/dbraw/zinc/13/01/83/984130183.db2.gz XVCPPQKEARABBT-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN CCCn1nccc1-c1cc(N)c(C)cn1 ZINC001242842994 984191089 /nfs/dbraw/zinc/19/10/89/984191089.db2.gz LLTFBYIIERYCCA-UHFFFAOYSA-N 0 1 216.288 2.246 20 0 BEADMN CCCn1nccc1-c1cc2[nH]nnc2cc1F ZINC001242843974 984192841 /nfs/dbraw/zinc/19/28/41/984192841.db2.gz NISJZFIQTLFOOG-UHFFFAOYSA-N 0 1 245.261 2.371 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1ccccc1C(=O)[O-] ZINC001242881230 984220045 /nfs/dbraw/zinc/22/00/45/984220045.db2.gz UESYVSYCSJDDOO-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN c1csc(-c2nccc3nc[nH]c32)n1 ZINC001242894043 984238919 /nfs/dbraw/zinc/23/89/19/984238919.db2.gz KSIORPWTAWOFLT-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1ccc(-c2cc3nc[nH]c3cn2)nc1 ZINC001242903106 984263440 /nfs/dbraw/zinc/26/34/40/984263440.db2.gz BCKIGUPSIUMNAI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(-c2cccc3[nH]nnc32)nc1 ZINC001242906374 984275384 /nfs/dbraw/zinc/27/53/84/984275384.db2.gz NJIGXVKEGHNALX-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cc(-c2ccncn2)cc2nc[nH]c21 ZINC001242917167 984288016 /nfs/dbraw/zinc/28/80/16/984288016.db2.gz HIDIHNCZFCGYCI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Nc1ccnc2cc(-c3ccncn3)ccc12 ZINC001242917883 984289216 /nfs/dbraw/zinc/28/92/16/984289216.db2.gz RZTDYMIGKXWODO-UHFFFAOYSA-N 0 1 222.251 2.274 20 0 BEADMN COCc1cncc(-c2cccc3[nH]nnc32)c1 ZINC001242953899 984315362 /nfs/dbraw/zinc/31/53/62/984315362.db2.gz FVGRDGDMUDEPTA-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COc1nccc(-c2cc(N)c(C)cn2)c1OC ZINC001242958161 984322523 /nfs/dbraw/zinc/32/25/23/984322523.db2.gz UCITZWVNYOTTIP-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN c1nn2ccccc2c1-c1ccc2nn[nH]c2c1 ZINC001242961371 984323236 /nfs/dbraw/zinc/32/32/36/984323236.db2.gz HNGPJPDQIVNOHT-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nn2ccccc2c1-c1ccc2[nH]nnc2c1 ZINC001242961371 984323241 /nfs/dbraw/zinc/32/32/41/984323241.db2.gz HNGPJPDQIVNOHT-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1c(CO)cccc1-c1[nH]ccc2ncnc1-2 ZINC001243012716 984368909 /nfs/dbraw/zinc/36/89/09/984368909.db2.gz NCEBXMKWGAAIOW-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1c(CO)cccc1-c1nccc2[nH]cnc21 ZINC001243012716 984368916 /nfs/dbraw/zinc/36/89/16/984368916.db2.gz NCEBXMKWGAAIOW-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN COc1cnccc1-c1cccc2[nH]nnc21 ZINC001243073973 984507410 /nfs/dbraw/zinc/50/74/10/984507410.db2.gz VPWUJSBNIARYGE-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ccc(CN2CC3(CCN3C)C2)c(C)c1 ZINC001275283703 984531288 /nfs/dbraw/zinc/53/12/88/984531288.db2.gz UPNMQWOUGTXUHO-UHFFFAOYSA-N 0 1 230.355 2.193 20 0 BEADMN COc1cccc(-c2ccc(CN(C)C)cn2)n1 ZINC001243097712 984531396 /nfs/dbraw/zinc/53/13/96/984531396.db2.gz ZHZZYUITNJTSLQ-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN c1c2ccccc2[nH]c1-c1ncnc2c1CNC2 ZINC001243102365 984538521 /nfs/dbraw/zinc/53/85/21/984538521.db2.gz SIHCBZFFGLUASG-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CC(C)(C)CCCCNC(=O)CN1CCCC1 ZINC001443722468 984541409 /nfs/dbraw/zinc/54/14/09/984541409.db2.gz FKBXNFIVBZEZPC-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1nnc(CNc2ncc(C)cc2C)o1 ZINC000718898911 984556764 /nfs/dbraw/zinc/55/67/64/984556764.db2.gz GLTJOQJUYAZGQT-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN CC[C@@H](F)CN(C)C[C@@H](C)NC(=O)C=C(C)C ZINC001275495687 984582947 /nfs/dbraw/zinc/58/29/47/984582947.db2.gz BQBHLUOGUCXPQR-VXGBXAGGSA-N 0 1 244.354 2.137 20 0 BEADMN C[C@H]1CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001445373678 984590870 /nfs/dbraw/zinc/59/08/70/984590870.db2.gz SCJBRNGQMKCCAR-QMMMGPOBSA-N 0 1 247.273 2.184 20 0 BEADMN CCCOc1ccccc1-c1cnc(CN)nc1 ZINC001243125912 984590908 /nfs/dbraw/zinc/59/09/08/984590908.db2.gz ZUKGBISNUKWJED-UHFFFAOYSA-N 0 1 243.310 2.391 20 0 BEADMN C[C@@H](Oc1nc(Cl)nc2nc[nH]c21)C1CC1 ZINC000719033501 984593287 /nfs/dbraw/zinc/59/32/87/984593287.db2.gz MXRIOTBYKGAXOP-RXMQYKEDSA-N 0 1 238.678 2.184 20 0 BEADMN C[C@H](Oc1nc(Cl)nc2nc[nH]c21)C1CC1 ZINC000719033503 984595699 /nfs/dbraw/zinc/59/56/99/984595699.db2.gz MXRIOTBYKGAXOP-YFKPBYRVSA-N 0 1 238.678 2.184 20 0 BEADMN OCc1cccc(-c2ccc3[nH]nnc3c2)c1F ZINC001243141696 984601532 /nfs/dbraw/zinc/60/15/32/984601532.db2.gz DJDZSFRZBRNTCG-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cccc(-c2ccc3nn[nH]c3c2)c1F ZINC001243141696 984601542 /nfs/dbraw/zinc/60/15/42/984601542.db2.gz DJDZSFRZBRNTCG-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001588948576 984665767 /nfs/dbraw/zinc/66/57/67/984665767.db2.gz IZDMDXAUJVRXGM-PRWOLLLXSA-N 0 1 231.295 2.464 20 0 BEADMN Cc1cc(CN2CC3(CCN3C)C2)cc(C)c1F ZINC001275829935 984683550 /nfs/dbraw/zinc/68/35/50/984683550.db2.gz IGQHBVMKSZRLME-UHFFFAOYSA-N 0 1 248.345 2.332 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1c1cccnc1)C(=O)[O-] ZINC001588959943 984728944 /nfs/dbraw/zinc/72/89/44/984728944.db2.gz VHQGFSXXCHBICF-GXJZLWQJSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C\C[N@H+]1CCc2cc(C)ccc2C1)C(=O)[O-] ZINC001588961269 984737381 /nfs/dbraw/zinc/73/73/81/984737381.db2.gz NRACUWDPHIPZLR-LFYBBSHMSA-N 0 1 245.322 2.384 20 0 BEADMN COCC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC001447681465 984772100 /nfs/dbraw/zinc/77/21/00/984772100.db2.gz FDHOIMQGHOCEMP-ARJAWSKDSA-N 0 1 245.282 2.012 20 0 BEADMN Cc1cc(-c2ncnc3c2CNC3)cc(C)c1O ZINC001243303677 984819874 /nfs/dbraw/zinc/81/98/74/984819874.db2.gz FFWGCDDMXPJZOP-UHFFFAOYSA-N 0 1 241.294 2.069 20 0 BEADMN COc1nccc(-c2ccc(O)c(F)c2F)n1 ZINC001243337809 984828202 /nfs/dbraw/zinc/82/82/02/984828202.db2.gz CZXMIDKUDYKJOB-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN [NH3+]Cc1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243340108 984829235 /nfs/dbraw/zinc/82/92/35/984829235.db2.gz XWWMUJWIZHDUIS-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN [NH3+]Cc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243342554 984835155 /nfs/dbraw/zinc/83/51/55/984835155.db2.gz IIYADUYDGXCEJP-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN CCC[C@H](C)NCc1ncc(Cl)cn1 ZINC001257308437 984881572 /nfs/dbraw/zinc/88/15/72/984881572.db2.gz SXBPEAWKPIPYQO-QMMMGPOBSA-N 0 1 213.712 2.408 20 0 BEADMN O=c1cc(-c2cc3nc[nH]c3cc2F)cc[nH]1 ZINC001243426778 984904442 /nfs/dbraw/zinc/90/44/42/984904442.db2.gz IDCGSFOZPVKJDS-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@H](C(F)F)C1 ZINC000930127808 984948461 /nfs/dbraw/zinc/94/84/61/984948461.db2.gz RPWNDELTTHVUCL-YUMQZZPRSA-N 0 1 247.314 2.495 20 0 BEADMN CC(C)(C)OC1CN(CC2(O)CCCCC2)C1 ZINC000685996032 985031324 /nfs/dbraw/zinc/03/13/24/985031324.db2.gz JPBLGADKJIGIOQ-UHFFFAOYSA-N 0 1 241.375 2.181 20 0 BEADMN Cc1nonc1CN1[C@H](C)CCC[C@@H]1C ZINC000686006123 985039182 /nfs/dbraw/zinc/03/91/82/985039182.db2.gz URNPORQBMOVXOO-DTORHVGOSA-N 0 1 209.293 2.141 20 0 BEADMN CN(CC(=O)Nc1ccsn1)CC(C)(C)C ZINC001455120812 985058539 /nfs/dbraw/zinc/05/85/39/985058539.db2.gz KKUQICCEQNQBMR-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN C[C@@H]1CN(CC2CC3(CCC3)C2)CCC1=O ZINC000691967018 985079623 /nfs/dbraw/zinc/07/96/23/985079623.db2.gz JGTYDMHQKJIWKT-LLVKDONJSA-N 0 1 221.344 2.478 20 0 BEADMN Cc1ccnc(F)c1-c1cccc2[nH]nnc21 ZINC001243553423 985111886 /nfs/dbraw/zinc/11/18/86/985111886.db2.gz IKTNPSXVGPTWMI-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ncc(CNC(=O)/C=C\C(C)(C)C)[nH]1 ZINC001456144266 985114125 /nfs/dbraw/zinc/11/41/25/985114125.db2.gz VUAWFWWIMMWHDC-SREVYHEPSA-N 0 1 235.331 2.191 20 0 BEADMN CCc1ncc(CNC(=O)/C=C2/CC[C@H](C)C2)[nH]1 ZINC001456144743 985116362 /nfs/dbraw/zinc/11/63/62/985116362.db2.gz XPAVEMQICFXJHN-QBQSQJOESA-N 0 1 247.342 2.335 20 0 BEADMN CCc1ncc(CNC(=O)/C=C/C(C)(C)C)[nH]1 ZINC001456144270 985119425 /nfs/dbraw/zinc/11/94/25/985119425.db2.gz VUAWFWWIMMWHDC-VOTSOKGWSA-N 0 1 235.331 2.191 20 0 BEADMN CCCCC[C@H](C)N1CC(N2CC(F)C2)C1 ZINC001257508373 985136916 /nfs/dbraw/zinc/13/69/16/985136916.db2.gz GMJZYJSNXKHZOK-NSHDSACASA-N 0 1 228.355 2.293 20 0 BEADMN CCCCC[C@H](C)N1CC(=O)N2CCC[C@@H]2C1 ZINC001257514096 985144811 /nfs/dbraw/zinc/14/48/11/985144811.db2.gz AZALONOOFDBNRF-QWHCGFSZSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1ccc2cncn2c1 ZINC001456442421 985145134 /nfs/dbraw/zinc/14/51/34/985145134.db2.gz MIOJRLWKGYPMNT-BXKDBHETSA-N 0 1 229.283 2.319 20 0 BEADMN COC(CCN(C)Cc1ccccc1F)OC ZINC000686616350 985169877 /nfs/dbraw/zinc/16/98/77/985169877.db2.gz VWAXPIIFVKBLQV-UHFFFAOYSA-N 0 1 241.306 2.267 20 0 BEADMN OCc1cc(F)cc(-c2cc3[nH]cnc3cn2)c1 ZINC001243692835 985217859 /nfs/dbraw/zinc/21/78/59/985217859.db2.gz VDITZVVZNHMKKW-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cc(F)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001243695437 985224621 /nfs/dbraw/zinc/22/46/21/985224621.db2.gz CQYPZEXYGCFMFO-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cc(F)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001243695437 985224639 /nfs/dbraw/zinc/22/46/39/985224639.db2.gz CQYPZEXYGCFMFO-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN O=c1cccc(-c2cccn3cncc23)[nH]1 ZINC001243735678 985266384 /nfs/dbraw/zinc/26/63/84/985266384.db2.gz HYXJNDXQXASQPN-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CC[C@H]1C(=O)[O-] ZINC001599929159 985273065 /nfs/dbraw/zinc/27/30/65/985273065.db2.gz WSEZJLIJGNNNDS-RWMBFGLXSA-N 0 1 237.343 2.385 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001138390965 985302008 /nfs/dbraw/zinc/30/20/08/985302008.db2.gz LZLNBYGAAYYHIO-RYUDHWBXSA-N 0 1 232.327 2.409 20 0 BEADMN CC(C)C1(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000687533761 985308404 /nfs/dbraw/zinc/30/84/04/985308404.db2.gz HBJNORPKSMLPEB-LLVKDONJSA-N 0 1 225.332 2.219 20 0 BEADMN Fc1ccc2nc(NCCc3ccn[nH]3)oc2c1 ZINC001458563168 985333623 /nfs/dbraw/zinc/33/36/23/985333623.db2.gz JVCAHXCIIKOWLI-UHFFFAOYSA-N 0 1 246.245 2.345 20 0 BEADMN Cc1nnc(SCc2ncccc2Cl)[nH]1 ZINC001458903598 985358387 /nfs/dbraw/zinc/35/83/87/985358387.db2.gz VQQZWEIRCYLYOF-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2ncccc2Cl)n1 ZINC001458903598 985358398 /nfs/dbraw/zinc/35/83/98/985358398.db2.gz VQQZWEIRCYLYOF-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN C[Si](C)(C)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC001599939130 985433237 /nfs/dbraw/zinc/43/32/37/985433237.db2.gz BSIFLRCPZKHYDB-UHFFFAOYSA-N 0 1 229.396 2.193 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccco2)nn1C ZINC000688058378 985542650 /nfs/dbraw/zinc/54/26/50/985542650.db2.gz OWOPVITUPZAHFP-SNVBAGLBSA-N 0 1 233.315 2.042 20 0 BEADMN Nc1ncc(-c2cccc(C3=NCCC3)c2)cn1 ZINC001243878644 985558018 /nfs/dbraw/zinc/55/80/18/985558018.db2.gz XQHKOVAEXXQUSV-UHFFFAOYSA-N 0 1 238.294 2.309 20 0 BEADMN C[C@@H](Cc1ccco1)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001258185401 985583653 /nfs/dbraw/zinc/58/36/53/985583653.db2.gz FOMHEVTVYMUBQJ-WCFLWFBJSA-N 0 1 241.306 2.005 20 0 BEADMN CN(C)c1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243927080 985594417 /nfs/dbraw/zinc/59/44/17/985594417.db2.gz GEYMHPBLQMLKCP-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1cc(-c2cccc3nc[nH]c32)nc(C)n1 ZINC001243928901 985599312 /nfs/dbraw/zinc/59/93/12/985599312.db2.gz JSHMEQREOPFTDN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(-c2cccc3nc[nH]c32)n1 ZINC001243928851 985601019 /nfs/dbraw/zinc/60/10/19/985601019.db2.gz ILDCPBWSHLNHGE-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1COC2(CCC2)C1 ZINC000688295903 985607697 /nfs/dbraw/zinc/60/76/97/985607697.db2.gz GIWPUJIIBMYROU-GFCCVEGCSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1COC2(CCC2)C1 ZINC000688295904 985608284 /nfs/dbraw/zinc/60/82/84/985608284.db2.gz GIWPUJIIBMYROU-LBPRGKRZSA-N 0 1 249.358 2.265 20 0 BEADMN COc1cc(OC)c(C2=CNCCC2)c(OC)c1 ZINC001243949364 985636537 /nfs/dbraw/zinc/63/65/37/985636537.db2.gz CNLJETWMFBIMJP-UHFFFAOYSA-N 0 1 249.310 2.437 20 0 BEADMN Cc1nc2ncc(C3=CNCCC3)cc2o1 ZINC001243950087 985645802 /nfs/dbraw/zinc/64/58/02/985645802.db2.gz MVZVRMYIHBESRG-UHFFFAOYSA-N 0 1 215.256 2.256 20 0 BEADMN COc1ncccc1CN1CCC[C@H]2C[C@H]21 ZINC001206596030 985650817 /nfs/dbraw/zinc/65/08/17/985650817.db2.gz POZIHAMWOXXWPN-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN CCOc1cc(C2=CNCCC2)cnc1F ZINC001243951240 985654652 /nfs/dbraw/zinc/65/46/52/985654652.db2.gz DXKQGBVVWCIOBQ-UHFFFAOYSA-N 0 1 222.263 2.344 20 0 BEADMN c1nc(OCC2CCC2)ncc1C1=CNCCC1 ZINC001243952844 985663319 /nfs/dbraw/zinc/66/33/19/985663319.db2.gz VUTXILNCFNIWHP-UHFFFAOYSA-N 0 1 245.326 2.380 20 0 BEADMN O=C(NOCC1CCC1)c1n[nH]c2ccccc21 ZINC000688523775 985665258 /nfs/dbraw/zinc/66/52/58/985665258.db2.gz JEAZXDMEYGMZGC-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN CC1(c2ccc(C3=CNCCC3)cn2)OCCO1 ZINC001243954116 985665245 /nfs/dbraw/zinc/66/52/45/985665245.db2.gz QSQCTVGEBLSFHX-UHFFFAOYSA-N 0 1 246.310 2.025 20 0 BEADMN Cc1nc2ccc(-c3cnc(CN)nc3)cc2o1 ZINC001243958901 985673942 /nfs/dbraw/zinc/67/39/42/985673942.db2.gz AKPUQEVRXPMTJL-UHFFFAOYSA-N 0 1 240.266 2.052 20 0 BEADMN C[C@@H]1CCCN(CC=C(Cl)Cl)[C@@H]1CO ZINC000688686642 985706843 /nfs/dbraw/zinc/70/68/43/985706843.db2.gz WLFFVXMEAMMAMX-RKDXNWHRSA-N 0 1 238.158 2.398 20 0 BEADMN Cc1nnc(CNC[C@H](C)CC(F)F)s1 ZINC000688746387 985720359 /nfs/dbraw/zinc/72/03/59/985720359.db2.gz BFHGUFSAPRMZMH-ZCFIWIBFSA-N 0 1 235.303 2.227 20 0 BEADMN Oc1cccc(Cl)c1-c1ncnc2[nH]cnc21 ZINC001244027460 985767440 /nfs/dbraw/zinc/76/74/40/985767440.db2.gz VKSVBASEUGOYIY-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN Oc1c(F)cc(-c2ccc(F)nn2)cc1F ZINC001244093769 985807149 /nfs/dbraw/zinc/80/71/49/985807149.db2.gz KBBGJHNQRLFMHI-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Oc1c(F)cc(-c2cncc3nccn32)cc1F ZINC001244094039 985808033 /nfs/dbraw/zinc/80/80/33/985808033.db2.gz NKJLTWVVWZBUMM-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Oc1c(F)cc(-c2cnc(F)cn2)cc1F ZINC001244096788 985808726 /nfs/dbraw/zinc/80/87/26/985808726.db2.gz JUEOFDKOQTTWOL-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Oc1c(F)cc(-c2ccn3ncnc3c2)cc1F ZINC001244094967 985810437 /nfs/dbraw/zinc/81/04/37/985810437.db2.gz YCONVNHSNLNRSN-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN COC1CCC(=Nc2cc(C)n(C)n2)CC1 ZINC001212872254 985819298 /nfs/dbraw/zinc/81/92/98/985819298.db2.gz QYPSWXNOEALPCV-LLVKDONJSA-N 0 1 221.304 2.223 20 0 BEADMN CO[C@@H]1CC=C(Nc2ncccc2O)CC1 ZINC001212873524 985824286 /nfs/dbraw/zinc/82/42/86/985824286.db2.gz NNLQKUQVTXUKJK-SNVBAGLBSA-N 0 1 220.272 2.282 20 0 BEADMN COC1CCC(=Nc2ncccc2CO)CC1 ZINC001212875155 985834384 /nfs/dbraw/zinc/83/43/84/985834384.db2.gz JAWBNQZSGRAEMO-GFCCVEGCSA-N 0 1 234.299 2.069 20 0 BEADMN COC(=O)CC[C@@H](C)N[C@H](C)c1nccs1 ZINC001258356283 985837965 /nfs/dbraw/zinc/83/79/65/985837965.db2.gz UAZZCLHMUAMPJE-RKDXNWHRSA-N 0 1 242.344 2.135 20 0 BEADMN COC(=O)CC[C@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC001258365841 985847179 /nfs/dbraw/zinc/84/71/79/985847179.db2.gz FOGPWRMSKGMORY-OUAUKWLOSA-N 0 1 231.311 2.008 20 0 BEADMN C[C@@H](CC1CC1)N(C)Cc1nnc2ccccn21 ZINC001258466364 985920931 /nfs/dbraw/zinc/92/09/31/985920931.db2.gz WNOUWFXAZXKFIX-NSHDSACASA-N 0 1 244.342 2.350 20 0 BEADMN CCC[C@H]1CCCN1CCS(=O)(=O)CCC ZINC001460902304 985936116 /nfs/dbraw/zinc/93/61/16/985936116.db2.gz RFRXFHPQTCIGEV-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CCC[C@@H]1CCCN1Cc1nn(CC)nc1C ZINC001460906095 985937773 /nfs/dbraw/zinc/93/77/73/985937773.db2.gz YPWGAWCFMVJSOJ-GFCCVEGCSA-N 0 1 236.363 2.371 20 0 BEADMN CCC[C@H]1CCCN1Cc1nn(CC)nc1C ZINC001460906098 985938870 /nfs/dbraw/zinc/93/88/70/985938870.db2.gz YPWGAWCFMVJSOJ-LBPRGKRZSA-N 0 1 236.363 2.371 20 0 BEADMN CC(C)c1cc(-c2cnc(CN)nc2)ccc1N ZINC001244331220 985956764 /nfs/dbraw/zinc/95/67/64/985956764.db2.gz DEFHKENWNMYDMQ-UHFFFAOYSA-N 0 1 242.326 2.308 20 0 BEADMN CCc1ccc2c(c1)CCN(CC(OC)OC)C2 ZINC001460978479 985971644 /nfs/dbraw/zinc/97/16/44/985971644.db2.gz SYXJFTUZTAQRBR-UHFFFAOYSA-N 0 1 249.354 2.226 20 0 BEADMN Cn1ncc2c1CN([C@H]1CCC(C)(C)C1)CC2 ZINC001258606719 985977541 /nfs/dbraw/zinc/97/75/41/985977541.db2.gz BAANPXBJNRTWFM-LBPRGKRZSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@]12CCCOC2 ZINC001460975833 985979800 /nfs/dbraw/zinc/97/98/00/985979800.db2.gz KOSRKUUQAOJHMN-CQSZACIVSA-N 0 1 249.358 2.253 20 0 BEADMN Nc1ccc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001244400597 986061431 /nfs/dbraw/zinc/06/14/31/986061431.db2.gz YFNCXMLWACJVTN-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001244400597 986061446 /nfs/dbraw/zinc/06/14/46/986061446.db2.gz YFNCXMLWACJVTN-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCC(=O)[O-])CCC1(F)F ZINC001594527623 986083100 /nfs/dbraw/zinc/08/31/00/986083100.db2.gz HBWZDOKCLJNOIQ-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC001461809436 986171772 /nfs/dbraw/zinc/17/17/72/986171772.db2.gz CNAAAGCBPZEFRJ-IQJOONFLSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1ccc(-c2cccc3[nH]nnc32)c(CO)c1 ZINC001244491109 986194521 /nfs/dbraw/zinc/19/45/21/986194521.db2.gz WDNKHAKLFFBRJY-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC[C@H]1CCCN1Cc1nc(CO)cs1 ZINC001461846010 986210758 /nfs/dbraw/zinc/21/07/58/986210758.db2.gz YJNRYFMGARUSOZ-JTQLQIEISA-N 0 1 226.345 2.010 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1ncccc1F ZINC001461996837 986253772 /nfs/dbraw/zinc/25/37/72/986253772.db2.gz MYVIAKJZNGBYLA-LBPRGKRZSA-N 0 1 208.280 2.451 20 0 BEADMN CC(C)[C@H]1CCN1Cc1ncccc1F ZINC001461996836 986256005 /nfs/dbraw/zinc/25/60/05/986256005.db2.gz MYVIAKJZNGBYLA-GFCCVEGCSA-N 0 1 208.280 2.451 20 0 BEADMN Nc1ncc(-c2ccc(Cl)c(O)c2F)cn1 ZINC001244632958 986293704 /nfs/dbraw/zinc/29/37/04/986293704.db2.gz VIUDBMSYWXPFGW-UHFFFAOYSA-N 0 1 239.637 2.224 20 0 BEADMN Oc1c(Cl)ccc(-c2cnnnc2)c1F ZINC001244633127 986295576 /nfs/dbraw/zinc/29/55/76/986295576.db2.gz ZOZNATHZZQOMJU-UHFFFAOYSA-N 0 1 225.610 2.037 20 0 BEADMN CO[C@@H]1CCN(Cc2ncccc2F)C[C@@H]1C ZINC001462253629 986321516 /nfs/dbraw/zinc/32/15/16/986321516.db2.gz CZYAKOCIQAKKFN-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1cscc1Cl ZINC001462252315 986324780 /nfs/dbraw/zinc/32/47/80/986324780.db2.gz UUZVLWHBZCJPNC-XVKPBYJWSA-N 0 1 231.748 2.357 20 0 BEADMN OCc1cc(-c2cc3[nH]ccc3cn2)ccc1O ZINC001244772688 986334723 /nfs/dbraw/zinc/33/47/23/986334723.db2.gz GIRULFDJWSLNEE-UHFFFAOYSA-N 0 1 240.262 2.428 20 0 BEADMN CCC(C)(C)OC1CN(CC2CC(OC)C2)C1 ZINC001462446728 986392273 /nfs/dbraw/zinc/39/22/73/986392273.db2.gz UDGGFMVODNZPAY-UHFFFAOYSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1n[nH]c2ccc(NC[C@H](O)C(C)C)cc12 ZINC001253771052 986394024 /nfs/dbraw/zinc/39/40/24/986394024.db2.gz DNWIHBZRHLIVMD-ZDUSSCGKSA-N 0 1 233.315 2.300 20 0 BEADMN CC(C)[C@H](O)CNC(C)(C)C(=O)c1ccccc1 ZINC001253777848 986410600 /nfs/dbraw/zinc/41/06/00/986410600.db2.gz UTYAEVHRJNYSIK-CYBMUJFWSA-N 0 1 249.354 2.254 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)cc1N ZINC001244897863 986430105 /nfs/dbraw/zinc/43/01/05/986430105.db2.gz QUBPYCSOPZVYLN-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)cc1N ZINC001244897863 986430129 /nfs/dbraw/zinc/43/01/29/986430129.db2.gz QUBPYCSOPZVYLN-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN OCc1ccc(-c2cccc3[nH]nnc32)c(F)c1 ZINC001244911278 986447124 /nfs/dbraw/zinc/44/71/24/986447124.db2.gz RHQZMUXAXHNIOD-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Fc1cccnc1CN[C@]12C[C@H]1CCC2 ZINC001462602955 986447927 /nfs/dbraw/zinc/44/79/27/986447927.db2.gz IFSTZTCWAFNFRQ-BXKDBHETSA-N 0 1 206.264 2.253 20 0 BEADMN OCc1ccc(-c2nccc3c2CCN3)c(F)c1 ZINC001244910765 986450873 /nfs/dbraw/zinc/45/08/73/986450873.db2.gz RBTUKRJMXCQARA-UHFFFAOYSA-N 0 1 244.269 2.348 20 0 BEADMN Cc1cc(Cl)ncc1-c1ncnc2c1CNC2 ZINC001244913374 986456724 /nfs/dbraw/zinc/45/67/24/986456724.db2.gz KKVXLOQBAWBFCN-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN c1nc2cc(-c3nnc(C4CC4)o3)ccc2[nH]1 ZINC001254048967 986464419 /nfs/dbraw/zinc/46/44/19/986464419.db2.gz RMHFOHMWVAKOEE-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN Cn1ccc2c1cccc2CN1C[C@@H]2C[C@H]1CO2 ZINC001139160459 986516686 /nfs/dbraw/zinc/51/66/86/986516686.db2.gz ZZGHEIDYGPVBSS-STQMWFEESA-N 0 1 242.322 2.151 20 0 BEADMN Cc1ccc(NC(=O)c2cnncc2O)cc1C ZINC001463620983 986564395 /nfs/dbraw/zinc/56/43/95/986564395.db2.gz NOPJEGUZDZUXHT-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cccc(OC)c1 ZINC001463676783 986574028 /nfs/dbraw/zinc/57/40/28/986574028.db2.gz RGCIRRWANBMIRR-UHFFFAOYSA-N 0 1 245.282 2.233 20 0 BEADMN COc1c(O)cccc1-c1nccc2c1CCN2 ZINC001244986613 986581237 /nfs/dbraw/zinc/58/12/37/986581237.db2.gz RQHVDCZOZDFXEY-UHFFFAOYSA-N 0 1 242.278 2.431 20 0 BEADMN NC(=O)c1cccnc1-c1cc(Cl)ccc1O ZINC001245051692 986611375 /nfs/dbraw/zinc/61/13/75/986611375.db2.gz OQJPALYZESWEAF-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN CCCOC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001464472802 986638542 /nfs/dbraw/zinc/63/85/42/986638542.db2.gz VAMYAQOGDPQBGE-LLVKDONJSA-N 0 1 242.363 2.195 20 0 BEADMN c1ccc2c(c1)CCC(N1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001254461478 986644134 /nfs/dbraw/zinc/64/41/34/986644134.db2.gz GUQNNIZBMMEXTH-IYBDPMFKSA-N 0 1 243.350 2.407 20 0 BEADMN CC(C)c1cc(NC(=O)CCc2cnc[nH]2)no1 ZINC001465490908 986724053 /nfs/dbraw/zinc/72/40/53/986724053.db2.gz BYSOEGDSAMMNHV-UHFFFAOYSA-N 0 1 248.286 2.092 20 0 BEADMN Cc1ccc2ncc(CN3CC[C@H]3C)n2c1 ZINC001137304893 986738802 /nfs/dbraw/zinc/73/88/02/986738802.db2.gz OYOJLHFAUJIDRD-LLVKDONJSA-N 0 1 215.300 2.237 20 0 BEADMN COCn1cc(-c2cccc3nc[nH]c32)cn1 ZINC001245219455 986740948 /nfs/dbraw/zinc/74/09/48/986740948.db2.gz RQOGRVRSHCRQHU-UHFFFAOYSA-N 0 1 228.255 2.030 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC001466088572 986773579 /nfs/dbraw/zinc/77/35/79/986773579.db2.gz GTOOPUCEGOMQAU-MNOVXSKESA-N 0 1 249.358 2.155 20 0 BEADMN Cc1noc2ccc(-c3cnc(CN)nc3)cc12 ZINC001245282952 986784023 /nfs/dbraw/zinc/78/40/23/986784023.db2.gz INPQLRIVJDFOJU-UHFFFAOYSA-N 0 1 240.266 2.052 20 0 BEADMN CC(=O)[C@@H](NC1CCOCC1)c1ccccc1 ZINC001255032054 986788742 /nfs/dbraw/zinc/78/87/42/986788742.db2.gz CVULVODKVGHFFC-CQSZACIVSA-N 0 1 233.311 2.085 20 0 BEADMN C/C=C(\C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC001466524664 986807263 /nfs/dbraw/zinc/80/72/63/986807263.db2.gz ZHQODLXOXQLSBJ-XBXARRHUSA-N 0 1 233.267 2.500 20 0 BEADMN COCc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001245396764 986834620 /nfs/dbraw/zinc/83/46/20/986834620.db2.gz GBPIOOMJVZKICV-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COc1cc(C)nc(-c2cc3ccc[nH]c-3n2)n1 ZINC001245397005 986836788 /nfs/dbraw/zinc/83/67/88/986836788.db2.gz JATPRDUHBFJYCS-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccnc(-c2cc3ccc[nH]c-3n2)n1 ZINC001245399849 986840091 /nfs/dbraw/zinc/84/00/91/986840091.db2.gz NQXLAZMALHOTAR-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN O=c1occcc1-c1cc2cccnc2[nH]1 ZINC001245403694 986842577 /nfs/dbraw/zinc/84/25/77/986842577.db2.gz DPWRBPHJEDADCX-UHFFFAOYSA-N 0 1 212.208 2.183 20 0 BEADMN Cc1cc(CCC(=O)N2CC3(C2)CCCC3)n[nH]1 ZINC001467325359 986846523 /nfs/dbraw/zinc/84/65/23/986846523.db2.gz XDTQQILTTLMCQN-UHFFFAOYSA-N 0 1 247.342 2.053 20 0 BEADMN Cc1cc(-c2cc3cccnc3[nH]2)cn(C)c1=O ZINC001245405337 986847747 /nfs/dbraw/zinc/84/77/47/986847747.db2.gz PTVKUKZCYWIJSF-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CC1CN(Cc2ccc(N)cc2Cl)C1 ZINC000606282388 986850123 /nfs/dbraw/zinc/85/01/23/986850123.db2.gz DWLVQDLIPBDDKI-UHFFFAOYSA-N 0 1 210.708 2.374 20 0 BEADMN Cn1ncc2cc(-c3cccc4cncn43)cnc21 ZINC001245474678 986862518 /nfs/dbraw/zinc/86/25/18/986862518.db2.gz PLVNTCIFORITDL-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN F[C@H]1CN(Cc2c[nH]c3ncccc23)C[C@@H]2C[C@@H]21 ZINC001137397534 986874711 /nfs/dbraw/zinc/87/47/11/986874711.db2.gz LWTODJWRINHFER-XDTLVQLUSA-N 0 1 245.301 2.353 20 0 BEADMN CC(=O)[C@@H](N[C@@H]1CCSC1)c1ccccc1 ZINC001255269720 986878835 /nfs/dbraw/zinc/87/88/35/986878835.db2.gz OHOPLCOSJJSHRF-CHWSQXEVSA-N 0 1 235.352 2.412 20 0 BEADMN F[C@@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC001137401939 986879168 /nfs/dbraw/zinc/87/91/68/986879168.db2.gz MEPSHORMPUUCLV-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1cccc2c1[C@@H](N[C@@H]1CCSC1)C(=O)N2 ZINC001255269106 986880665 /nfs/dbraw/zinc/88/06/65/986880665.db2.gz YWPHEQDIMSTAEY-BXKDBHETSA-N 0 1 248.351 2.083 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@H]1CCSC1 ZINC001255290528 986891148 /nfs/dbraw/zinc/89/11/48/986891148.db2.gz GWIZEEMWCXRRQW-MNOVXSKESA-N 0 1 222.357 2.370 20 0 BEADMN c1cnc([C@H]2CCCN2[C@H]2CCSC2)nc1 ZINC001255296612 986898429 /nfs/dbraw/zinc/89/84/29/986898429.db2.gz USUOJMRWMXKMHL-WDEREUQCSA-N 0 1 235.356 2.119 20 0 BEADMN CCOc1ccc(C)cc1CN(C)CCOC ZINC001139602387 986900834 /nfs/dbraw/zinc/90/08/34/986900834.db2.gz LSCBGIWUYHBJTL-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN Cc1cc(F)c(-c2ncnc3c2CNC3)cc1F ZINC001245542091 986929226 /nfs/dbraw/zinc/92/92/26/986929226.db2.gz IUGGEQDNHLRBKZ-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN Cc1cc(F)c(-c2ncc3c(n2)CNC3)cc1F ZINC001245542361 986931109 /nfs/dbraw/zinc/93/11/09/986931109.db2.gz NELBLBRPOOUPGN-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN Nc1ncc(-c2cccc3[nH]nnc32)cc1Cl ZINC001245565309 986960611 /nfs/dbraw/zinc/96/06/11/986960611.db2.gz CTNNANDIVGVVGY-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN Nc1cc[nH+]c(-c2cc([O-])c(F)c(F)c2F)c1 ZINC001245633487 987009088 /nfs/dbraw/zinc/00/90/88/987009088.db2.gz FJKAKTJJJHBENJ-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN COC[C@H](C)NCc1ccc(C)c(F)c1F ZINC001255558597 987011452 /nfs/dbraw/zinc/01/14/52/987011452.db2.gz OQGMOKVDHIQDLU-VIFPVBQESA-N 0 1 229.270 2.398 20 0 BEADMN Cc1cc(F)cc(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC001470052501 987014893 /nfs/dbraw/zinc/01/48/93/987014893.db2.gz JNRDNZGROYMHGX-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1ccnnc1-c1c(O)cccc1F ZINC001245652192 987021471 /nfs/dbraw/zinc/02/14/71/987021471.db2.gz TZGRNNMFZRDYIZ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN COc1cnc(C)nc1-c1c(O)cccc1F ZINC001245652928 987023576 /nfs/dbraw/zinc/02/35/76/987023576.db2.gz IXHGPZRLRJFPCD-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cc1noc2ncnc(-c3c(O)cccc3F)c12 ZINC001245656208 987041284 /nfs/dbraw/zinc/04/12/84/987041284.db2.gz YABVSMGFTUQCGD-UHFFFAOYSA-N 0 1 245.213 2.438 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CC2(C1)CCOC2 ZINC001255646253 987042031 /nfs/dbraw/zinc/04/20/31/987042031.db2.gz MTMMUGDACXEYQC-QMMMGPOBSA-N 0 1 223.238 2.050 20 0 BEADMN c1cc2c(ccnc2-c2ccc3nncn3c2)[nH]1 ZINC001245657741 987045294 /nfs/dbraw/zinc/04/52/94/987045294.db2.gz SIIQRSQJHZXARR-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCOc1cnc(-c2ccc3cncn3c2)cn1 ZINC001245897459 987107543 /nfs/dbraw/zinc/10/75/43/987107543.db2.gz SZEBJQWWXXKZBT-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN c1ncn2cc(-c3nncc4cnccc43)ccc12 ZINC001245895458 987112781 /nfs/dbraw/zinc/11/27/81/987112781.db2.gz WOTBIJQQZADCBU-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN Cc1nc2cc(-c3ccc4cncn4c3)ccn2n1 ZINC001245896020 987113316 /nfs/dbraw/zinc/11/33/16/987113316.db2.gz JKWJAAITYDMINH-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN COc1nc(C)cc(-c2ccc3cncn3c2)n1 ZINC001245897004 987120711 /nfs/dbraw/zinc/12/07/11/987120711.db2.gz YBVBSUPIMUDBLN-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN c1ncn2cc(-c3cncc4nccnc43)ccc12 ZINC001245896751 987121683 /nfs/dbraw/zinc/12/16/83/987121683.db2.gz PMEQFTCABCWFJL-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1ncn2cc(-c3cc4c(nn3)CCC4)ccc12 ZINC001245897655 987124189 /nfs/dbraw/zinc/12/41/89/987124189.db2.gz FOCSGZLUKBFACG-UHFFFAOYSA-N 0 1 236.278 2.280 20 0 BEADMN CCc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC001245916492 987146206 /nfs/dbraw/zinc/14/62/06/987146206.db2.gz JNEJKOVMFXMNES-UHFFFAOYSA-N 0 1 216.284 2.394 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1Cc1cccnc1 ZINC001245926356 987177775 /nfs/dbraw/zinc/17/77/75/987177775.db2.gz VLMLBHFMVDKGHA-UHFFFAOYSA-N 0 1 229.283 2.300 20 0 BEADMN Cc1cc[nH]c1C(=O)Nc1ccc2cncn2c1 ZINC001472134085 987187798 /nfs/dbraw/zinc/18/77/98/987187798.db2.gz SUNBMHXRZMXWTJ-UHFFFAOYSA-N 0 1 240.266 2.223 20 0 BEADMN Cc1cc(=O)n(-c2ccc(F)c(F)c2F)[nH]1 ZINC001245927724 987188204 /nfs/dbraw/zinc/18/82/04/987188204.db2.gz FDCKVGXPQZLSQV-UHFFFAOYSA-N 0 1 228.173 2.304 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1C1CCOCC1 ZINC001245936905 987206182 /nfs/dbraw/zinc/20/61/82/987206182.db2.gz LWHBEAQVHPUWRP-UHFFFAOYSA-N 0 1 236.315 2.283 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1-c1cccnc1F ZINC001245938002 987207541 /nfs/dbraw/zinc/20/75/41/987207541.db2.gz XNNBBPVYUQFXNB-UHFFFAOYSA-N 0 1 247.273 2.455 20 0 BEADMN O=c1cc(CCC2CCCCC2)[nH]n1CCO ZINC001245942247 987217949 /nfs/dbraw/zinc/21/79/49/987217949.db2.gz KAMVXWWVCWSQJX-UHFFFAOYSA-N 0 1 238.331 2.094 20 0 BEADMN CC[C@H]1COCCN1[C@@H](C)Cc1ccccn1 ZINC001256422770 987224780 /nfs/dbraw/zinc/22/47/80/987224780.db2.gz WIBKFYHWUWJLJB-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)[C@@H]1COCCN1[C@@H](C)Cc1ccccn1 ZINC001256423173 987226138 /nfs/dbraw/zinc/22/61/38/987226138.db2.gz ZQTYICRVHQZHNX-ZFWWWQNUSA-N 0 1 248.370 2.369 20 0 BEADMN Cc1cc(NCc2ccc3cncn3c2)ncn1 ZINC001472802421 987285388 /nfs/dbraw/zinc/28/53/88/987285388.db2.gz RDTKHDWGZYGSDA-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN CCC(F)(F)CNC[C@@H]1CCCOC1 ZINC000697558314 987356358 /nfs/dbraw/zinc/35/63/58/987356358.db2.gz FUEUICHYRVNLQS-VIFPVBQESA-N 0 1 207.264 2.048 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC001597300026 987407781 /nfs/dbraw/zinc/40/77/81/987407781.db2.gz ZQKOZDMGMWMLBI-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CCC(C)(C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001115957386 987421283 /nfs/dbraw/zinc/42/12/83/987421283.db2.gz IQQJLDBEGKLPGI-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)c(C)[nH]1 ZINC001115986518 987423974 /nfs/dbraw/zinc/42/39/74/987423974.db2.gz MDJQAMHUGQSLLZ-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN Cc1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c(C)[nH]1 ZINC001115986518 987423981 /nfs/dbraw/zinc/42/39/81/987423981.db2.gz MDJQAMHUGQSLLZ-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN CCCC1CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC001116187153 987468360 /nfs/dbraw/zinc/46/83/60/987468360.db2.gz FUXZRUBKLDEKCS-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N1CC(C)(C)C1(C)C ZINC001116211577 987479891 /nfs/dbraw/zinc/47/98/91/987479891.db2.gz KNRKTMUGPPHWJI-SNVBAGLBSA-N 0 1 240.391 2.410 20 0 BEADMN CCCC1(C(=O)Nc2nc(C(C)C)n[nH]2)CC1 ZINC001116269520 987503107 /nfs/dbraw/zinc/50/31/07/987503107.db2.gz RTRGKDVFHGZOMT-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCCC1(C(=O)Nc2n[nH]c(C(C)C)n2)CC1 ZINC001116269520 987503115 /nfs/dbraw/zinc/50/31/15/987503115.db2.gz RTRGKDVFHGZOMT-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN Cc1cc(CN2C[C@H]3CCCC[C@H]32)nn1C ZINC001473614984 987508043 /nfs/dbraw/zinc/50/80/43/987508043.db2.gz QTEVXTNCZFMKFR-DGCLKSJQSA-N 0 1 219.332 2.103 20 0 BEADMN Cc1nnc(SCc2ccc(C)cn2)[nH]1 ZINC001116322328 987518774 /nfs/dbraw/zinc/51/87/74/987518774.db2.gz DIBUOZLQBVTAES-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1n[nH]c(SCc2ccc(C)cn2)n1 ZINC001116322328 987518782 /nfs/dbraw/zinc/51/87/82/987518782.db2.gz DIBUOZLQBVTAES-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC1(C)CN([C@H](C(N)=O)c2ccccc2)C1(C)C ZINC001116338816 987526548 /nfs/dbraw/zinc/52/65/48/987526548.db2.gz ILGGAFOQZBRULA-LBPRGKRZSA-N 0 1 246.354 2.333 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@H](C2CCC2)CC1 ZINC001473742324 987541806 /nfs/dbraw/zinc/54/18/06/987541806.db2.gz OOLGRXTYXVIWSI-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN COCc1noc([C@@H](C)N[C@H](C)C2(C)CC2)n1 ZINC001473855431 987581733 /nfs/dbraw/zinc/58/17/33/987581733.db2.gz UICDJWPYXPSLEJ-RKDXNWHRSA-N 0 1 239.319 2.055 20 0 BEADMN CCc1[nH]c(C[N@H+]2C[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001597385272 987594789 /nfs/dbraw/zinc/59/47/89/987594789.db2.gz RNFDQWKIJRYTDK-IUCAKERBSA-N 0 1 236.315 2.116 20 0 BEADMN CC[C@H](C)NC(=O)c1ccc2cncn2c1C ZINC001116486091 987600581 /nfs/dbraw/zinc/60/05/81/987600581.db2.gz BKPQBJHISVVLCH-VIFPVBQESA-N 0 1 231.299 2.171 20 0 BEADMN CCc1nc(NC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC001116494281 987604705 /nfs/dbraw/zinc/60/47/05/987604705.db2.gz DBVDWOSJKSVPOO-INTFFVIUSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CC[C@H](C)C2)n1 ZINC001116494281 987604707 /nfs/dbraw/zinc/60/47/07/987604707.db2.gz DBVDWOSJKSVPOO-INTFFVIUSA-N 0 1 234.303 2.052 20 0 BEADMN CC[C@H](CC(C)C)N[C@H]1CCNCC1(F)F ZINC001246211933 987607044 /nfs/dbraw/zinc/60/70/44/987607044.db2.gz OITXLRJMPNALQW-MNOVXSKESA-N 0 1 234.334 2.398 20 0 BEADMN CC[C@@H]1COCCN1CCc1ccc(F)cc1 ZINC001116501801 987607842 /nfs/dbraw/zinc/60/78/42/987607842.db2.gz KETYRCLOZYEIHW-CQSZACIVSA-N 0 1 237.318 2.479 20 0 BEADMN OC[C@@H](CNCc1cscn1)c1ccccc1 ZINC001474026998 987631824 /nfs/dbraw/zinc/63/18/24/987631824.db2.gz AHOIGBDSZUECEY-GFCCVEGCSA-N 0 1 248.351 2.009 20 0 BEADMN OC[C@H](CNCc1cscn1)c1ccccc1 ZINC001474027001 987632785 /nfs/dbraw/zinc/63/27/85/987632785.db2.gz AHOIGBDSZUECEY-LBPRGKRZSA-N 0 1 248.351 2.009 20 0 BEADMN Cn1ccnc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC001474030068 987633184 /nfs/dbraw/zinc/63/31/84/987633184.db2.gz SGQSHWKDEPRZMR-STQMWFEESA-N 0 1 233.359 2.479 20 0 BEADMN CC1(C)C[C@@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116590957 987636510 /nfs/dbraw/zinc/63/65/10/987636510.db2.gz LSAYETADXQUHAG-WDEREUQCSA-N 0 1 247.342 2.392 20 0 BEADMN C/C=C/COC(=O)c1ccc2cncn2c1C ZINC001116598754 987639151 /nfs/dbraw/zinc/63/91/51/987639151.db2.gz BAFFTNQFVBQKJQ-ONEGZZNKSA-N 0 1 230.267 2.376 20 0 BEADMN CCc1ccccc1CNc1n[nH]c(N(C)C)n1 ZINC001474140655 987647022 /nfs/dbraw/zinc/64/70/22/987647022.db2.gz KIZPBUODKGKLTB-UHFFFAOYSA-N 0 1 245.330 2.045 20 0 BEADMN CC1(C)CC[C@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246251552 987648828 /nfs/dbraw/zinc/64/88/28/987648828.db2.gz DQXPOTXGMMTNKL-QMMMGPOBSA-N 0 1 236.281 2.059 20 0 BEADMN CC1(O)CCN(Cc2cccn2C(F)F)CC1 ZINC001474327787 987692239 /nfs/dbraw/zinc/69/22/39/987692239.db2.gz IOPLBSKJGXIWCQ-UHFFFAOYSA-N 0 1 244.285 2.230 20 0 BEADMN CCn1ccc(CN2CC[C@@H]2C(C)C)n1 ZINC001474392665 987707303 /nfs/dbraw/zinc/70/73/03/987707303.db2.gz AQGXQXNDBURDJR-GFCCVEGCSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1cc(CN2CCOC3(CCCCC3)C2)n[nH]1 ZINC001116861955 987738150 /nfs/dbraw/zinc/73/81/50/987738150.db2.gz DTDHNUXSUQUEQD-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN CSc1ccc(CN2CC[C@H](C)[C@@H](O)C2)o1 ZINC001474500585 987740641 /nfs/dbraw/zinc/74/06/41/987740641.db2.gz FRZGSGZNYIBKAW-ONGXEEELSA-N 0 1 241.356 2.204 20 0 BEADMN OC[C@@H](NC1CCC2(CCC2)CC1)c1ncc[nH]1 ZINC001474724065 987810391 /nfs/dbraw/zinc/81/03/91/987810391.db2.gz NSHQWLIEZUDUTJ-GFCCVEGCSA-N 0 1 249.358 2.146 20 0 BEADMN CC1CC(N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001474750574 987819642 /nfs/dbraw/zinc/81/96/42/987819642.db2.gz ROHJNXUOBMFEBB-QDPIBXHXSA-N 0 1 241.281 2.386 20 0 BEADMN N[C@H]1C[N@@H+](C2CCC3(CCCC3)CC2)C[C@H]1F ZINC001246524530 987874658 /nfs/dbraw/zinc/87/46/58/987874658.db2.gz GLZRQUNZMSAUKU-OLZOCXBDSA-N 0 1 240.366 2.470 20 0 BEADMN Cc1c(C(=O)N[C@@H](C)C2CC2)ccc2cncn21 ZINC001117813801 987935994 /nfs/dbraw/zinc/93/59/94/987935994.db2.gz FXQQSSYQXWHKNC-VIFPVBQESA-N 0 1 243.310 2.171 20 0 BEADMN CCn1ncc(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001117814132 987940251 /nfs/dbraw/zinc/94/02/51/987940251.db2.gz VIXLSSLLFOPQNA-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)=CCN1CC(CNC(=O)C(C)(C)C)C1 ZINC001494617164 988168262 /nfs/dbraw/zinc/16/82/62/988168262.db2.gz PYTFKDGYHAWOLA-UHFFFAOYSA-N 0 1 238.375 2.047 20 0 BEADMN CCC[C@@H](C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001494648139 988169823 /nfs/dbraw/zinc/16/98/23/988169823.db2.gz MNPDHYHGXFYAIK-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cccnc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC001118291191 988193155 /nfs/dbraw/zinc/19/31/55/988193155.db2.gz MRCGTEJICUBRTC-AOOOYVTPSA-N 0 1 224.254 2.087 20 0 BEADMN O=C(CC1CCCCCC1)OCc1nnc[nH]1 ZINC001118391686 988306232 /nfs/dbraw/zinc/30/62/32/988306232.db2.gz SYDIZRQMUGNXBK-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN O=C(OCc1nnc[nH]1)c1ccc(C2CC2)cc1 ZINC001118422813 988337197 /nfs/dbraw/zinc/33/71/97/988337197.db2.gz YMLUKYMIHSQPNQ-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN c1nnc(CN(CC2CCCCC2)C2CC2)[nH]1 ZINC001118493562 988383119 /nfs/dbraw/zinc/38/31/19/988383119.db2.gz YWKMISZKJOJCBW-UHFFFAOYSA-N 0 1 234.347 2.349 20 0 BEADMN CC(C)C[C@H]1CCCN(Cc2nnc[nH]2)C1 ZINC001118496577 988391740 /nfs/dbraw/zinc/39/17/40/988391740.db2.gz ZDXGRWDOWDMOLC-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN CS[C@@H]1CC[C@@H](N(C)Cc2cn(C)cn2)C1 ZINC001118496151 988393756 /nfs/dbraw/zinc/39/37/56/988393756.db2.gz PBLVJSBRHVWHAR-VXGBXAGGSA-N 0 1 239.388 2.136 20 0 BEADMN COc1cc(C)c(C)cc1NCc1nnc[nH]1 ZINC001118517347 988412503 /nfs/dbraw/zinc/41/25/03/988412503.db2.gz ZEEAKSNOTVLPNK-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN c1nnc(C[N@@H+]2CCC[C@H]2C2CCCCC2)[n-]1 ZINC001118557058 988430775 /nfs/dbraw/zinc/43/07/75/988430775.db2.gz BEEXQDRLLQTRFW-LBPRGKRZSA-N 0 1 234.347 2.349 20 0 BEADMN c1nnc(C[N@H+]2CCC[C@H]2C2CCCCC2)[n-]1 ZINC001118557058 988430786 /nfs/dbraw/zinc/43/07/86/988430786.db2.gz BEEXQDRLLQTRFW-LBPRGKRZSA-N 0 1 234.347 2.349 20 0 BEADMN Cc1nnc(SCC(F)(F)C(F)F)[nH]1 ZINC001323042082 988436890 /nfs/dbraw/zinc/43/68/90/988436890.db2.gz YKHZHYBTBAZJFR-UHFFFAOYSA-N 0 1 229.202 2.106 20 0 BEADMN Cc1n[nH]c(SCC(F)(F)C(F)F)n1 ZINC001323042082 988436899 /nfs/dbraw/zinc/43/68/99/988436899.db2.gz YKHZHYBTBAZJFR-UHFFFAOYSA-N 0 1 229.202 2.106 20 0 BEADMN CCN(CC1CC1)C(=O)c1cnc(C(C)C)[nH]1 ZINC001323136901 988459832 /nfs/dbraw/zinc/45/98/32/988459832.db2.gz SHOWDUUFJKTFED-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H](N)[C@@H](F)C1 ZINC001246822271 988508193 /nfs/dbraw/zinc/50/81/93/988508193.db2.gz XACRRTQRKMJJFL-ZDEQEGDKSA-N 0 1 230.371 2.428 20 0 BEADMN CC(C)CC[C@@H](C)N1CC[C@@H](N)C(F)(F)C1 ZINC001246839527 988541334 /nfs/dbraw/zinc/54/13/34/988541334.db2.gz XTMMVAOAEMQAAW-GHMZBOCLSA-N 0 1 234.334 2.479 20 0 BEADMN COC[C@H](NCc1ncoc1C(C)C)C1CC1 ZINC001323791956 988616142 /nfs/dbraw/zinc/61/61/42/988616142.db2.gz GPJZVYAHTTXIAR-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cc(C)n[nH]1 ZINC001323817730 988623572 /nfs/dbraw/zinc/62/35/72/988623572.db2.gz WEBHBGMOVBYKMG-NSHDSACASA-N 0 1 227.377 2.292 20 0 BEADMN CC(C)Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001323914196 988650624 /nfs/dbraw/zinc/65/06/24/988650624.db2.gz FFEOSNLJQGLODT-LLVKDONJSA-N 0 1 235.331 2.077 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)n[nH]1 ZINC001323936941 988653952 /nfs/dbraw/zinc/65/39/52/988653952.db2.gz QFBAWVPFKMDXCM-STQMWFEESA-N 0 1 249.358 2.108 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC001323936937 988654986 /nfs/dbraw/zinc/65/49/86/988654986.db2.gz QFBAWVPFKMDXCM-OLZOCXBDSA-N 0 1 249.358 2.108 20 0 BEADMN CS[C@H]1CC[C@@H](N(C)Cc2n[nH]cc2C)C1 ZINC001323936020 988655633 /nfs/dbraw/zinc/65/56/33/988655633.db2.gz OAIIRXVMPCKLBT-MNOVXSKESA-N 0 1 239.388 2.434 20 0 BEADMN CC(C)(C)c1c[nH]c(SCc2nnc[nH]2)n1 ZINC001118986290 988773270 /nfs/dbraw/zinc/77/32/70/988773270.db2.gz IFAKUPQYPNMVPW-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN Cc1[nH]ncc1CN(C)c1ncc(Cl)s1 ZINC001118989552 988773759 /nfs/dbraw/zinc/77/37/59/988773759.db2.gz RARZAGYTFYBNRC-UHFFFAOYSA-N 0 1 242.735 2.464 20 0 BEADMN CC(C)n1cc(C[N@H+]2CC3CCC2CC3)nn1 ZINC001324369588 988814858 /nfs/dbraw/zinc/81/48/58/988814858.db2.gz JSOMFFVQTDQOCO-UHFFFAOYSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)n1cc(CN2CC3CCC2CC3)nn1 ZINC001324369588 988814865 /nfs/dbraw/zinc/81/48/65/988814865.db2.gz JSOMFFVQTDQOCO-UHFFFAOYSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)c1nc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n[nH]1 ZINC001324400812 988830252 /nfs/dbraw/zinc/83/02/52/988830252.db2.gz WQECCWVLUIVEFO-LPEHRKFASA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001324400812 988830259 /nfs/dbraw/zinc/83/02/59/988830259.db2.gz WQECCWVLUIVEFO-LPEHRKFASA-N 0 1 248.330 2.303 20 0 BEADMN Cc1cc2nc(CCO)[nH]c2cc1C(F)(F)F ZINC001247013527 988841556 /nfs/dbraw/zinc/84/15/56/988841556.db2.gz GCNUYSISUWZFRX-UHFFFAOYSA-N 0 1 244.216 2.425 20 0 BEADMN CCCn1c(CN)nc2ccc(F)c(F)c21 ZINC001247042200 988846856 /nfs/dbraw/zinc/84/68/56/988846856.db2.gz UUQSXNXWSJWAMJ-UHFFFAOYSA-N 0 1 225.242 2.183 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001324496265 988859180 /nfs/dbraw/zinc/85/91/80/988859180.db2.gz RATUAOGDMRISSK-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(CN2CC[C@@](C)(C(F)(F)F)C2)n[nH]1 ZINC001119248245 988862787 /nfs/dbraw/zinc/86/27/87/988862787.db2.gz HCYHSCCJYIQFCX-SNVBAGLBSA-N 0 1 247.264 2.492 20 0 BEADMN Cc1ccc(F)c(-c2noc(C3CN(C)C3)n2)c1 ZINC001247372607 988862902 /nfs/dbraw/zinc/86/29/02/988862902.db2.gz LRYTVSIIRYSDOL-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN Cc1ccc(-c2noc(C3CN(C)C3)n2)cc1C ZINC001247372541 988863134 /nfs/dbraw/zinc/86/31/34/988863134.db2.gz KCXPYKBRGDTFHK-UHFFFAOYSA-N 0 1 243.310 2.382 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001599961907 988868584 /nfs/dbraw/zinc/86/85/84/988868584.db2.gz CYXRNVUTUXXPHN-ZDUSSCGKSA-N 0 1 248.326 2.396 20 0 BEADMN CNCc1nc(-c2ccc3cnccc3c2)no1 ZINC001247431229 988885610 /nfs/dbraw/zinc/88/56/10/988885610.db2.gz DLGJVVIUOJADML-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CCc1cccc(-c2noc(CNC)n2)c1 ZINC001247431682 988887630 /nfs/dbraw/zinc/88/76/30/988887630.db2.gz MEAFORFPFYWAFG-UHFFFAOYSA-N 0 1 217.272 2.018 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC001601914601 988888089 /nfs/dbraw/zinc/88/80/89/988888089.db2.gz MWFPUBQXZVZEQJ-GFCCVEGCSA-N 0 1 237.343 2.363 20 0 BEADMN COCC(C)(C)NCc1nc2ccccc2[nH]1 ZINC001119292701 988891893 /nfs/dbraw/zinc/89/18/93/988891893.db2.gz JJXDHRMVWBDEMC-UHFFFAOYSA-N 0 1 233.315 2.078 20 0 BEADMN CN[C@H](C)c1nc(-c2ncccc2C2CC2)no1 ZINC001247490723 988897217 /nfs/dbraw/zinc/89/72/17/988897217.db2.gz IVCHNXQPQJEVKL-MRVPVSSYSA-N 0 1 244.298 2.289 20 0 BEADMN Cc1cc(CN2CCOCc3ccccc32)n[nH]1 ZINC001324633503 988899334 /nfs/dbraw/zinc/89/93/34/988899334.db2.gz ILUXAYKPAZUTPH-UHFFFAOYSA-N 0 1 243.310 2.255 20 0 BEADMN c1snnc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC001119303591 988899464 /nfs/dbraw/zinc/89/94/64/988899464.db2.gz DJFPXIMJRKJZEQ-GHMZBOCLSA-N 0 1 223.345 2.206 20 0 BEADMN C[C@@H](NCc1cccn1C1CC1)c1ccnn1C ZINC001119303814 988916770 /nfs/dbraw/zinc/91/67/70/988916770.db2.gz JMICVLYDDKGVJF-LLVKDONJSA-N 0 1 244.342 2.407 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)[nH]n1 ZINC001119303895 988919411 /nfs/dbraw/zinc/91/94/11/988919411.db2.gz LKHZIBFLAAZCTF-UHFFFAOYSA-N 0 1 211.284 2.042 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)n[nH]1 ZINC001119303895 988919423 /nfs/dbraw/zinc/91/94/23/988919423.db2.gz LKHZIBFLAAZCTF-UHFFFAOYSA-N 0 1 211.284 2.042 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC001514711149 988926021 /nfs/dbraw/zinc/92/60/21/988926021.db2.gz QBJZEQJBOWAXRD-SNVBAGLBSA-N 0 1 221.304 2.123 20 0 BEADMN C[C@@H]1CCCC[C@H]1C(=O)NCc1cc(N)ccn1 ZINC001119322026 988939700 /nfs/dbraw/zinc/93/97/00/988939700.db2.gz LMLCEUKZCOOJNX-ZWNOBZJWSA-N 0 1 247.342 2.106 20 0 BEADMN C[C@H]1CCCC[C@H]1C(=O)NCc1cc(N)ccn1 ZINC001119322021 988940275 /nfs/dbraw/zinc/94/02/75/988940275.db2.gz LMLCEUKZCOOJNX-GXFFZTMASA-N 0 1 247.342 2.106 20 0 BEADMN CCC[C@H](NC)c1nc(-c2cccnc2)no1 ZINC001247626488 988953519 /nfs/dbraw/zinc/95/35/19/988953519.db2.gz FSYQFOWIVXZWIQ-JTQLQIEISA-N 0 1 232.287 2.192 20 0 BEADMN COc1cc(-c2noc([C@@H]3CCN3)n2)ccc1C ZINC001247676967 988977243 /nfs/dbraw/zinc/97/72/43/988977243.db2.gz PNNYIPKKPDMJTI-JTQLQIEISA-N 0 1 245.282 2.088 20 0 BEADMN Fc1ccc(F)c(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247677266 988980398 /nfs/dbraw/zinc/98/03/98/988980398.db2.gz SYDPRBCSNLYQQR-VIFPVBQESA-N 0 1 237.209 2.049 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCN3)n2)cc1C ZINC001247676385 988980154 /nfs/dbraw/zinc/98/01/54/988980154.db2.gz FHYCZGHJUQKZNA-NSHDSACASA-N 0 1 229.283 2.388 20 0 BEADMN Cc1cc(CNCc2c(C)cccc2F)[nH]n1 ZINC001324923801 989019477 /nfs/dbraw/zinc/01/94/77/989019477.db2.gz DQEXLHVSGKPMBD-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCCCNC(=O)c1ccc2cncn2c1C ZINC001324978792 989038905 /nfs/dbraw/zinc/03/89/05/989038905.db2.gz ZEWUTUHRLPDBTB-UHFFFAOYSA-N 0 1 231.299 2.173 20 0 BEADMN c1nc2c(ncnc2N2CCC[C@H]2C2CCC2)[nH]1 ZINC001515445679 989047239 /nfs/dbraw/zinc/04/72/39/989047239.db2.gz VWLQVWDXUSQIGK-JTQLQIEISA-N 0 1 243.314 2.122 20 0 BEADMN Cc1coc(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC001119443272 989077637 /nfs/dbraw/zinc/07/76/37/989077637.db2.gz LGMCSWWVKRFTLJ-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN Cc1coc(CN2CCCOC[C@@H]2C)c1 ZINC001119443272 989077643 /nfs/dbraw/zinc/07/76/43/989077643.db2.gz LGMCSWWVKRFTLJ-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN CN[C@@H](c1nc(-c2cccnc2C)no1)C(C)C ZINC001248206312 989080473 /nfs/dbraw/zinc/08/04/73/989080473.db2.gz SJDQXNKKKVHUJY-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3C=CCN3)n2)cc1F ZINC001248230099 989085070 /nfs/dbraw/zinc/08/50/70/989085070.db2.gz USQBYMXJHPRCPY-JTQLQIEISA-N 0 1 249.220 2.215 20 0 BEADMN Fc1ccc(-c2noc([C@H]3CCN3)n2)c(F)c1 ZINC001248284754 989088270 /nfs/dbraw/zinc/08/82/70/989088270.db2.gz DLLSGJJICZSYKN-SECBINFHSA-N 0 1 237.209 2.049 20 0 BEADMN Cc1cc(F)cc(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248228297 989088645 /nfs/dbraw/zinc/08/86/45/989088645.db2.gz LYTRVLWFFCLJMY-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3C=CCN3)n2)cc1 ZINC001248227563 989089806 /nfs/dbraw/zinc/08/98/06/989089806.db2.gz DCDKODZVSPPGEA-JTQLQIEISA-N 0 1 231.230 2.076 20 0 BEADMN CCn1nnc(C)c1C[N@@H+](CC)C(C)(C)C ZINC001325129054 989090884 /nfs/dbraw/zinc/09/08/84/989090884.db2.gz RGKGWOCWMCMVIT-UHFFFAOYSA-N 0 1 224.352 2.227 20 0 BEADMN Nc1nccc(NCC[C@H]2CC2(Cl)Cl)n1 ZINC001515909479 989126769 /nfs/dbraw/zinc/12/67/69/989126769.db2.gz VEERXQVMNPKBTR-LURJTMIESA-N 0 1 247.129 2.055 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)C1CCCC1 ZINC001515969125 989133029 /nfs/dbraw/zinc/13/30/29/989133029.db2.gz CKYOQBGUPQOFRM-VIFPVBQESA-N 0 1 222.288 2.454 20 0 BEADMN CC1CN(CCc2ccc(F)cc2F)C1 ZINC001325279443 989141458 /nfs/dbraw/zinc/14/14/58/989141458.db2.gz PBENWHUWZJTEOU-UHFFFAOYSA-N 0 1 211.255 2.459 20 0 BEADMN C(CC1CCCCCC1)OCc1nn[nH]n1 ZINC001119539270 989141696 /nfs/dbraw/zinc/14/16/96/989141696.db2.gz CBQNQJZPGDFTCC-UHFFFAOYSA-N 0 1 224.308 2.077 20 0 BEADMN NCc1nccnc1NC[C@H]1C[C@@H]1C1CCCC1 ZINC001516394643 989149022 /nfs/dbraw/zinc/14/90/22/989149022.db2.gz HJTWDFNQHLYRRR-VXGBXAGGSA-N 0 1 246.358 2.174 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248820904 989179843 /nfs/dbraw/zinc/17/98/43/989179843.db2.gz HJCPKEZBYRQNFL-MFKMUULPSA-N 0 1 222.307 2.224 20 0 BEADMN C[C@@H]1CN(Cc2ccc3n2CCC3)C[C@@H]1F ZINC001248820904 989179847 /nfs/dbraw/zinc/17/98/47/989179847.db2.gz HJCPKEZBYRQNFL-MFKMUULPSA-N 0 1 222.307 2.224 20 0 BEADMN Cc1nonc1CN1CCC12CCCCC2 ZINC001248857196 989197372 /nfs/dbraw/zinc/19/73/72/989197372.db2.gz QIXYMEDQJMJQTA-UHFFFAOYSA-N 0 1 221.304 2.287 20 0 BEADMN Cc1nonc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001248860296 989201979 /nfs/dbraw/zinc/20/19/79/989201979.db2.gz TZYCRWFXWLEGGH-VXGBXAGGSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1cc(C)nc(CN2CCCC2(C)C)n1 ZINC001248933328 989220386 /nfs/dbraw/zinc/22/03/86/989220386.db2.gz YTBHJFTYVRQSSQ-UHFFFAOYSA-N 0 1 219.332 2.468 20 0 BEADMN CCCCNCc1nc(-c2cncc(C)c2)no1 ZINC001249026046 989238480 /nfs/dbraw/zinc/23/84/80/989238480.db2.gz VIWBQWHTJXKBMB-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CCCCNCc1nc(-c2ccccn2)no1 ZINC001249025599 989241733 /nfs/dbraw/zinc/24/17/33/989241733.db2.gz KJOQCLCHUISQBN-UHFFFAOYSA-N 0 1 232.287 2.021 20 0 BEADMN CCNCc1nc(-c2cccc(F)c2C)no1 ZINC001249132847 989256084 /nfs/dbraw/zinc/25/60/84/989256084.db2.gz MEMMGIJGVOUOHN-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CC[C@](C)(N)c1nc(-c2cccnc2C)no1 ZINC001249281893 989267382 /nfs/dbraw/zinc/26/73/82/989267382.db2.gz DNSBAHYFEWQMHO-LBPRGKRZSA-N 0 1 232.287 2.024 20 0 BEADMN Cc1cc(-c2noc([C@@](C)(N)C(C)C)n2)ccn1 ZINC001249279672 989270092 /nfs/dbraw/zinc/27/00/92/989270092.db2.gz DBXPVWWIOSXWIO-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1cnccc1-c1noc([C@@](C)(N)C(C)C)n1 ZINC001249279627 989271260 /nfs/dbraw/zinc/27/12/60/989271260.db2.gz BUGXXXYJFRMZKC-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1ncccc1-c1noc([C@@](C)(N)C(C)C)n1 ZINC001249280115 989271473 /nfs/dbraw/zinc/27/14/73/989271473.db2.gz NVCBPGATWODTLZ-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN COc1ccc2nc(CN3CC[C@H]3C)[nH]c2c1 ZINC001249411933 989273230 /nfs/dbraw/zinc/27/32/30/989273230.db2.gz OJRDCNAADVZMBB-SECBINFHSA-N 0 1 231.299 2.166 20 0 BEADMN CCN1CCN(Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249476466 989286749 /nfs/dbraw/zinc/28/67/49/989286749.db2.gz SYJBKOHPGAUMID-UHFFFAOYSA-N 0 1 249.402 2.450 20 0 BEADMN CC(C)(C)n1cc(CN2CC3CCC2CC3)nn1 ZINC001249483305 989294274 /nfs/dbraw/zinc/29/42/74/989294274.db2.gz IYERIZDVLGPQNB-UHFFFAOYSA-N 0 1 248.374 2.408 20 0 BEADMN Cc1cc(C[N@@H+](C)CC2CCOCC2)ns1 ZINC001249571612 989309581 /nfs/dbraw/zinc/30/95/81/989309581.db2.gz SPRCEDLTMHZWGK-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1cc(CN(C)CC2CCOCC2)ns1 ZINC001249571612 989309593 /nfs/dbraw/zinc/30/95/93/989309593.db2.gz SPRCEDLTMHZWGK-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN CCN(Cc1cc(C)sn1)C1CCOCC1 ZINC001249582396 989318176 /nfs/dbraw/zinc/31/81/76/989318176.db2.gz URUCWSKOCCGZHU-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncn(C)c1Nc1cn(C)c2cnccc12 ZINC001249692633 989340896 /nfs/dbraw/zinc/34/08/96/989340896.db2.gz HEJMRWVMRKVLAY-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN CC(C)n1cc([C@@H](C)NC2(C)CC2)nn1 ZINC001119701935 989347302 /nfs/dbraw/zinc/34/73/02/989347302.db2.gz UVQPEYWJMYBZHB-SECBINFHSA-N 0 1 208.309 2.062 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1nnc[nH]1 ZINC001519313932 989394251 /nfs/dbraw/zinc/39/42/51/989394251.db2.gz HRISMGIGQWZDCD-IWSPIJDZSA-N 0 1 237.303 2.091 20 0 BEADMN Cc1ccc(F)c(CN[C@@H](CO)C2CC2)c1F ZINC001119812815 989414362 /nfs/dbraw/zinc/41/43/62/989414362.db2.gz BRTGPZVCPUHAHC-LBPRGKRZSA-N 0 1 241.281 2.134 20 0 BEADMN COC/C(C)=C/CN1CCC[C@@H](OC(F)F)C1 ZINC001119803767 989415073 /nfs/dbraw/zinc/41/50/73/989415073.db2.gz AYHMQLXKVRHNHN-IGLBNKAOSA-N 0 1 249.301 2.283 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2cccc(C)c2C1 ZINC001603503754 989421551 /nfs/dbraw/zinc/42/15/51/989421551.db2.gz YHLGLVTVCMROSL-ZDUSSCGKSA-N 0 1 233.311 2.216 20 0 BEADMN Cc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)n[nH]1 ZINC001326301801 989476311 /nfs/dbraw/zinc/47/63/11/989476311.db2.gz BIPYWJQUPJIVOT-GFCCVEGCSA-N 0 1 249.358 2.109 20 0 BEADMN Fc1ccc(CCN(C2CC2)C2COC2)cc1 ZINC001119971416 989521251 /nfs/dbraw/zinc/52/12/51/989521251.db2.gz KRHBXXGFTFLEGT-UHFFFAOYSA-N 0 1 235.302 2.231 20 0 BEADMN CCc1nc(OC)ccc1NCc1cc(C)[nH]n1 ZINC001119983208 989540586 /nfs/dbraw/zinc/54/05/86/989540586.db2.gz QROZGRGPCKBGSS-UHFFFAOYSA-N 0 1 246.314 2.296 20 0 BEADMN COc1ccc(CNC/C=C/C2CC2)o1 ZINC001120058595 989567151 /nfs/dbraw/zinc/56/71/51/989567151.db2.gz WZZANZFDCGLYDL-NSCUHMNNSA-N 0 1 207.273 2.344 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1n[nH]c(C)c1C ZINC001520554321 989577452 /nfs/dbraw/zinc/57/74/52/989577452.db2.gz QDJUOPSMWDVWHO-NSHDSACASA-N 0 1 237.347 2.469 20 0 BEADMN Cc1cccc2nc(NCCN3CC=CC3)oc21 ZINC001326492952 989585071 /nfs/dbraw/zinc/58/50/71/989585071.db2.gz UEGIWYOBJNOWNS-UHFFFAOYSA-N 0 1 243.310 2.420 20 0 BEADMN Cc1nnc(SC[C@H]2CCO[C@@H](C)C2)[nH]1 ZINC001326594080 989620077 /nfs/dbraw/zinc/62/00/77/989620077.db2.gz VUDHRAJTGNOAMG-CBAPKCEASA-N 0 1 227.333 2.020 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001603768189 989712596 /nfs/dbraw/zinc/71/25/96/989712596.db2.gz IPRJHHROCZCFJS-QWRGUYRKSA-N 0 1 245.388 2.171 20 0 BEADMN CC[C@H](F)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC001120709625 989840385 /nfs/dbraw/zinc/84/03/85/989840385.db2.gz VIKJHQCAYHTGKM-BYPYZUCNSA-N 0 1 239.172 2.115 20 0 BEADMN CCC[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001120712129 989844056 /nfs/dbraw/zinc/84/40/56/989844056.db2.gz YIURLJYHYDPPPD-STQMWFEESA-N 0 1 238.375 2.262 20 0 BEADMN Cc1ccccc1C[C@H](C)Nc1ccnc(N)n1 ZINC001120803960 989890171 /nfs/dbraw/zinc/89/01/71/989890171.db2.gz KHMFSZYADVAVOR-NSHDSACASA-N 0 1 242.326 2.410 20 0 BEADMN COc1cccnc1N[C@H](C)Cc1cc(C)n[nH]1 ZINC001120827268 989906191 /nfs/dbraw/zinc/90/61/91/989906191.db2.gz IIUUELOTNLCQKF-SECBINFHSA-N 0 1 246.314 2.165 20 0 BEADMN CC(C)(CNc1ccnc(N)n1)C(F)(F)F ZINC001120844870 989918071 /nfs/dbraw/zinc/91/80/71/989918071.db2.gz JZKZJOPOIVLYIS-UHFFFAOYSA-N 0 1 234.225 2.059 20 0 BEADMN CC(=O)c1ccnc(NC[C@@H]2CCCCN2C)c1 ZINC001120883557 989947436 /nfs/dbraw/zinc/94/74/36/989947436.db2.gz GRFUKZNIGOYOKY-ZDUSSCGKSA-N 0 1 247.342 2.180 20 0 BEADMN Cc1cc(F)cc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001120914456 989965551 /nfs/dbraw/zinc/96/55/51/989965551.db2.gz QAKRQVITKJCHPL-QWRGUYRKSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)(C)SCC[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC001590429507 989982761 /nfs/dbraw/zinc/98/27/61/989982761.db2.gz ACELLNLLFSAWNG-LLVKDONJSA-N 0 1 249.351 2.017 20 0 BEADMN Nc1nccc(NCC2(CC3CC3)CC2)n1 ZINC001120957978 989988096 /nfs/dbraw/zinc/98/80/96/989988096.db2.gz CNFQLXPTGKBCEU-UHFFFAOYSA-N 0 1 218.304 2.051 20 0 BEADMN CC1(CNC(=O)c2cccc(F)c2O)CCC1 ZINC001524393983 989996890 /nfs/dbraw/zinc/99/68/90/989996890.db2.gz UQAPBILDZLKOCT-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1CCCC1 ZINC001524401285 989997218 /nfs/dbraw/zinc/99/72/18/989997218.db2.gz ABQAWMVGRIGLHM-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H](N)c1ccccc1 ZINC001122319000 990339207 /nfs/dbraw/zinc/33/92/07/990339207.db2.gz BIVLRNCWVDJYNL-BNOWGMLFSA-N 0 1 244.338 2.157 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001604924024 990367635 /nfs/dbraw/zinc/36/76/35/990367635.db2.gz LVKITZLTTOZUGV-QXEWZRGKSA-N 0 1 247.285 2.217 20 0 BEADMN O=C(Oc1ccc(F)cc1)C12CCCN1CCC2 ZINC001530404273 990372829 /nfs/dbraw/zinc/37/28/29/990372829.db2.gz GKHMYGCHKMHNBP-UHFFFAOYSA-N 0 1 249.285 2.360 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@@](F)(C(=O)[O-])C1)C1CC1 ZINC001590671191 990381358 /nfs/dbraw/zinc/38/13/58/990381358.db2.gz WNGGKCVHXVDVTH-ZDUSSCGKSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1nocc1NC(=O)c1sccc1F ZINC001530857306 990382263 /nfs/dbraw/zinc/38/22/63/990382263.db2.gz NRPXTNSITLDKAA-UHFFFAOYSA-N 0 1 226.232 2.436 20 0 BEADMN C[C@@H]1CC[C@H](OC(=O)C23CCCN2CCC3)C1 ZINC001537623483 990508581 /nfs/dbraw/zinc/50/85/81/990508581.db2.gz DBBUQSKSMXGCDN-NEPJUHHUSA-N 0 1 237.343 2.347 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC001538551764 990534379 /nfs/dbraw/zinc/53/43/79/990534379.db2.gz JLFZYTMSCYKSQS-GXFFZTMASA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC001540321013 990606409 /nfs/dbraw/zinc/60/64/09/990606409.db2.gz WUQYBOPWTXYRHU-QWRGUYRKSA-N 0 1 249.358 2.155 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc2[nH]ccc2c1 ZINC001540714876 990643333 /nfs/dbraw/zinc/64/33/33/990643333.db2.gz XMBGFDLFRYXYRH-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cc1conc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC001542373669 990661848 /nfs/dbraw/zinc/66/18/48/990661848.db2.gz CZAKRAMSLGYLEI-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1cc(CCC(=O)N(C)CC2CCCC2)n[nH]1 ZINC001542386288 990664957 /nfs/dbraw/zinc/66/49/57/990664957.db2.gz ATURDELENXAXSW-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@H]1C[C@@H]1F ZINC001123774735 990665874 /nfs/dbraw/zinc/66/58/74/990665874.db2.gz LLUALFQSFBVNAW-FSPLSTOPSA-N 0 1 229.638 2.342 20 0 BEADMN CONC(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001543180966 990682444 /nfs/dbraw/zinc/68/24/44/990682444.db2.gz KTPHZSAHFUIFPI-CYBMUJFWSA-N 0 1 248.326 2.423 20 0 BEADMN CONC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001543180968 990682820 /nfs/dbraw/zinc/68/28/20/990682820.db2.gz KTPHZSAHFUIFPI-ZDUSSCGKSA-N 0 1 248.326 2.423 20 0 BEADMN COCc1cccc(NC(=O)c2[nH]cnc2C)c1 ZINC001543181352 990684586 /nfs/dbraw/zinc/68/45/86/990684586.db2.gz VBJSKKKMQCTVLZ-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001544011868 990708669 /nfs/dbraw/zinc/70/86/69/990708669.db2.gz FJRLXENFJMJSMI-CBAPKCEASA-N 0 1 239.702 2.431 20 0 BEADMN Cc1nocc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC001544107403 990713887 /nfs/dbraw/zinc/71/38/87/990713887.db2.gz YKSLANBKLJWEJP-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1nc[nH]c1C(=O)N(C)c1ccc(F)cc1 ZINC001544741299 990735820 /nfs/dbraw/zinc/73/58/20/990735820.db2.gz UZGFZZMFEFVFTI-UHFFFAOYSA-N 0 1 233.246 2.134 20 0 BEADMN O=C(NCCCF)c1ccc(Cl)c(O)c1 ZINC001545649564 990759092 /nfs/dbraw/zinc/75/90/92/990759092.db2.gz LWBJDCKXAYTVFS-UHFFFAOYSA-N 0 1 231.654 2.135 20 0 BEADMN Cc1cscc1NC(=O)c1[nH]cnc1C ZINC001137650330 990833844 /nfs/dbraw/zinc/83/38/44/990833844.db2.gz GIBYAGRPZHJPFB-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CO2 ZINC001137851620 990861040 /nfs/dbraw/zinc/86/10/40/990861040.db2.gz KJGQZTQHWJEGIH-STQMWFEESA-N 0 1 217.312 2.277 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1ncc[nH]1 ZINC001137933005 990869497 /nfs/dbraw/zinc/86/94/97/990869497.db2.gz QWYXOPFHFUHTNQ-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN CN(Cc1ccc2ncccc2c1)C1(C)COC1 ZINC001138111880 990883310 /nfs/dbraw/zinc/88/33/10/990883310.db2.gz UTBQLKCXMBCLCG-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CC1(C)CC(NC(=O)c2cccc(F)c2O)C1 ZINC001557602259 990899693 /nfs/dbraw/zinc/89/96/93/990899693.db2.gz SUVVEFADWHUHCW-UHFFFAOYSA-N 0 1 237.274 2.450 20 0 BEADMN F[C@H]1CCN(Cc2cccc3nccnc23)C1 ZINC001138299285 990910915 /nfs/dbraw/zinc/91/09/15/990910915.db2.gz VSTHMGLIQUTXAV-NSHDSACASA-N 0 1 231.274 2.174 20 0 BEADMN Oc1cc(O)cc(CN2CCC[C@@H](CF)C2)c1 ZINC001138329772 990917163 /nfs/dbraw/zinc/91/71/63/990917163.db2.gz HMTWOJWAOCUYBY-JTQLQIEISA-N 0 1 239.290 2.279 20 0 BEADMN O=C(Nc1c[nH]nn1)c1cccc2ccsc21 ZINC001138326267 990918319 /nfs/dbraw/zinc/91/83/19/990918319.db2.gz ZNWCJZFIFXJFMO-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN Oc1cc(O)cc(CN2CCC[C@H](CF)C2)c1 ZINC001138329773 990919319 /nfs/dbraw/zinc/91/93/19/990919319.db2.gz HMTWOJWAOCUYBY-SNVBAGLBSA-N 0 1 239.290 2.279 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])C[C@@H]1CC1(C)C ZINC001138393958 990927920 /nfs/dbraw/zinc/92/79/20/990927920.db2.gz AOBAIJFTAVLOPC-JTQLQIEISA-N 0 1 220.316 2.265 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])C[C@@H]1CC1(C)C ZINC001138393958 990927930 /nfs/dbraw/zinc/92/79/30/990927930.db2.gz AOBAIJFTAVLOPC-JTQLQIEISA-N 0 1 220.316 2.265 20 0 BEADMN CCN(Cc1cccnc1)Cc1ncccc1O ZINC001138393934 990931416 /nfs/dbraw/zinc/93/14/16/990931416.db2.gz AUKOFXWDVMMNQQ-UHFFFAOYSA-N 0 1 243.310 2.204 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CCC12CCCC2 ZINC001138391276 990932130 /nfs/dbraw/zinc/93/21/30/990932130.db2.gz QXRQJKLZPZBTDF-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCC12CCCC2 ZINC001138391276 990932138 /nfs/dbraw/zinc/93/21/38/990932138.db2.gz QXRQJKLZPZBTDF-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ncccc2[O-])[C@@H](C)C1 ZINC001138395068 990934864 /nfs/dbraw/zinc/93/48/64/990934864.db2.gz RVYZLCNFJARAHE-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncccc2[O-])[C@@H](C)C1 ZINC001138395068 990934874 /nfs/dbraw/zinc/93/48/74/990934874.db2.gz RVYZLCNFJARAHE-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]1C ZINC001138451237 990947990 /nfs/dbraw/zinc/94/79/90/990947990.db2.gz AWYDFACGXJGTJL-DDHJBXDOSA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC001138451239 990949405 /nfs/dbraw/zinc/94/94/05/990949405.db2.gz AWYDFACGXJGTJL-NNYUYHANSA-N 0 1 247.342 2.160 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CCO[C@@H](CO)C1 ZINC001258062683 990954605 /nfs/dbraw/zinc/95/46/05/990954605.db2.gz LFLTUSBUQNSEAH-MELADBBJSA-N 0 1 243.391 2.140 20 0 BEADMN CC[C@@H](COC)NCc1c(Cl)ncn1CC ZINC001308284654 990961488 /nfs/dbraw/zinc/96/14/88/990961488.db2.gz LNFHHQAPHRJECW-VIFPVBQESA-N 0 1 245.754 2.071 20 0 BEADMN CN(C)c1ccc(CN2CCSCC2)s1 ZINC001138488461 990961544 /nfs/dbraw/zinc/96/15/44/990961544.db2.gz ROPIQZKKMSXUAR-UHFFFAOYSA-N 0 1 242.413 2.363 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H]2CC2(C)C)[nH]1 ZINC001558561444 990969144 /nfs/dbraw/zinc/96/91/44/990969144.db2.gz RWAFXDKJXLESHS-JTQLQIEISA-N 0 1 235.331 2.195 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581111 990973698 /nfs/dbraw/zinc/97/36/98/990973698.db2.gz WECUNOYSPWGUEK-NSHDSACASA-N 0 1 249.358 2.118 20 0 BEADMN CC(C)C[C@@H](C)C[C@@H](C)N1CC(=O)NC[C@H]1C ZINC001258075299 990975037 /nfs/dbraw/zinc/97/50/37/990975037.db2.gz UZKAZEPGCRMOET-JHJVBQTASA-N 0 1 240.391 2.268 20 0 BEADMN CCC1CCC(Nc2n[nH]c(N(C)C)n2)CC1 ZINC001308399150 990981694 /nfs/dbraw/zinc/98/16/94/990981694.db2.gz YAKRCCILVBGJCF-UHFFFAOYSA-N 0 1 237.351 2.251 20 0 BEADMN COC(=O)CN(C)[C@H](C)CCC=C(C)C ZINC001258095728 991007454 /nfs/dbraw/zinc/00/74/54/991007454.db2.gz JPTXYGPHVOGJCZ-LLVKDONJSA-N 0 1 213.321 2.226 20 0 BEADMN CSc1ncc(CN2CCC(C)CC2)cn1 ZINC001138700495 991010996 /nfs/dbraw/zinc/01/09/96/991010996.db2.gz JJVJJTRVNSUHLC-UHFFFAOYSA-N 0 1 237.372 2.430 20 0 BEADMN CSc1ncc(CN2CCC[C@@H](C)C2)cn1 ZINC001138700387 991011628 /nfs/dbraw/zinc/01/16/28/991011628.db2.gz HZQKEYOIJDXSTJ-SNVBAGLBSA-N 0 1 237.372 2.430 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1cnc2[nH]ccc2c1 ZINC001138736760 991024728 /nfs/dbraw/zinc/02/47/28/991024728.db2.gz CRQYUUZCSNGFSU-SKDRFNHKSA-N 0 1 233.290 2.495 20 0 BEADMN Cl/C=C/CNCc1cnnn1-c1ccccc1 ZINC001308543860 991024961 /nfs/dbraw/zinc/02/49/61/991024961.db2.gz NRWQNURNSLSQBL-QPJJXVBHSA-N 0 1 248.717 2.109 20 0 BEADMN c1cc2cc(CN3CC4(CSC4)C3)cnc2[nH]1 ZINC001138740479 991027851 /nfs/dbraw/zinc/02/78/51/991027851.db2.gz YLLZARKBPLRWOD-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN C[C@@H]1CC(N[C@H]2CCSC2=O)C[C@@H](C)C1 ZINC001258151277 991033033 /nfs/dbraw/zinc/03/30/33/991033033.db2.gz IDUWCVCOUBGYHZ-QXEWZRGKSA-N 0 1 227.373 2.433 20 0 BEADMN CCN(C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138773918 991038597 /nfs/dbraw/zinc/03/85/97/991038597.db2.gz SIPQFSWEKGZSMH-LBPRGKRZSA-N 0 1 223.320 2.034 20 0 BEADMN C[C@@H]1CC(Nc2nccnc2CN)C[C@@H](C)C1 ZINC001258157656 991043253 /nfs/dbraw/zinc/04/32/53/991043253.db2.gz GJGUTGDSVGDYHA-UWVGGRQHSA-N 0 1 234.347 2.172 20 0 BEADMN CCN(CC)c1ncc(CN(C)C)s1 ZINC001138797178 991056555 /nfs/dbraw/zinc/05/65/55/991056555.db2.gz HRQGDBRGACBFIQ-UHFFFAOYSA-N 0 1 213.350 2.051 20 0 BEADMN CC1(C)CCCN1Cc1nc(CO)cs1 ZINC001308604495 991061097 /nfs/dbraw/zinc/06/10/97/991061097.db2.gz ZGNWXXMTRJLLHQ-UHFFFAOYSA-N 0 1 226.345 2.010 20 0 BEADMN ClC=CCNc1nc(Cl)nc2[nH]cnc21 ZINC001559296740 991066062 /nfs/dbraw/zinc/06/60/62/991066062.db2.gz DFYKWSMLSBSSNC-UPHRSURJSA-N 0 1 244.085 2.122 20 0 BEADMN C[C@H](Cc1ccco1)Nc1cccnc1CN ZINC001258182089 991082474 /nfs/dbraw/zinc/08/24/74/991082474.db2.gz VDIHSTRPZNALKH-SNVBAGLBSA-N 0 1 231.299 2.176 20 0 BEADMN C[C@H](Cc1ccco1)NC1(c2cnccn2)CC1 ZINC001258181389 991083002 /nfs/dbraw/zinc/08/30/02/991083002.db2.gz BQSAAHRDJGIAOV-LLVKDONJSA-N 0 1 243.310 2.280 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001258184457 991083366 /nfs/dbraw/zinc/08/33/66/991083366.db2.gz BXFGXUSMFICJID-SDDRHHMPSA-N 0 1 223.316 2.320 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCOCC1(C)C ZINC001258191315 991093193 /nfs/dbraw/zinc/09/31/93/991093193.db2.gz AQAQFIRGQAPLMH-NSHDSACASA-N 0 1 223.316 2.321 20 0 BEADMN C[C@H](Cc1ccco1)N1CCCC12COC2 ZINC001258191391 991098756 /nfs/dbraw/zinc/09/87/56/991098756.db2.gz BELITUGYCKOEDW-LLVKDONJSA-N 0 1 221.300 2.075 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC001138936455 991104017 /nfs/dbraw/zinc/10/40/17/991104017.db2.gz JIVSNIKIXCVOEJ-NWDGAFQWSA-N 0 1 219.332 2.340 20 0 BEADMN C[C@H](Cc1ccco1)N(C1CC1)C1COC1 ZINC001258194448 991104009 /nfs/dbraw/zinc/10/40/09/991104009.db2.gz GYCBHQDKTOVCGU-SNVBAGLBSA-N 0 1 221.300 2.074 20 0 BEADMN Cc1c[nH]c(C[N@H+]2CCC[C@](C)(F)CC2)n1 ZINC001138935144 991104052 /nfs/dbraw/zinc/10/40/52/991104052.db2.gz FUSAZCAPDZEXNS-LBPRGKRZSA-N 0 1 225.311 2.432 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@](C)(F)CC2)n1 ZINC001138935144 991104057 /nfs/dbraw/zinc/10/40/57/991104057.db2.gz FUSAZCAPDZEXNS-LBPRGKRZSA-N 0 1 225.311 2.432 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC001138940204 991109858 /nfs/dbraw/zinc/10/98/58/991109858.db2.gz ANOVIIJKWBXUTK-KOLCDFICSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@@H](C)OC[C@@H]1C ZINC001258199838 991115482 /nfs/dbraw/zinc/11/54/82/991115482.db2.gz QTKACQDGVAEITF-SDDRHHMPSA-N 0 1 223.316 2.320 20 0 BEADMN CSCC[C@H](C)NCc1nc(C)co1 ZINC001258198908 991116001 /nfs/dbraw/zinc/11/60/01/991116001.db2.gz QYOVVPDZJQJJLW-QMMMGPOBSA-N 0 1 214.334 2.214 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CC(=O)N[C@@H](C)C2)C1 ZINC001308778315 991130881 /nfs/dbraw/zinc/13/08/81/991130881.db2.gz ILCKAKDNLFFSJB-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CSCC[C@H](C)N1CC2(C1)CCCCO2 ZINC001258216091 991140656 /nfs/dbraw/zinc/14/06/56/991140656.db2.gz UIPNVIFRYFOSCT-NSHDSACASA-N 0 1 229.389 2.383 20 0 BEADMN CSCC[C@H](C)N1CC(OC(C)C)C1 ZINC001258224683 991160805 /nfs/dbraw/zinc/16/08/05/991160805.db2.gz PUGUQLJGOKCPFP-JTQLQIEISA-N 0 1 217.378 2.237 20 0 BEADMN COCCCCN(C)Cc1cn(C2CC2)cn1 ZINC001308825985 991162052 /nfs/dbraw/zinc/16/20/52/991162052.db2.gz RUHJXFGWVACVHO-UHFFFAOYSA-N 0 1 237.347 2.076 20 0 BEADMN Cn1ccc2cc(CN3CC4(COC4)C3)ccc21 ZINC001139188436 991189771 /nfs/dbraw/zinc/18/97/71/991189771.db2.gz GWAXUWZHVHXDGK-UHFFFAOYSA-N 0 1 242.322 2.011 20 0 BEADMN CC1(C)CCC[C@H](n2ccnc2CN)C1 ZINC001258275103 991196683 /nfs/dbraw/zinc/19/66/83/991196683.db2.gz CJHVXNWONAGVPP-JTQLQIEISA-N 0 1 207.321 2.483 20 0 BEADMN O=C(C1=CCCC1)N1CCN(CCC2CC2)CC1 ZINC001258285355 991221959 /nfs/dbraw/zinc/22/19/59/991221959.db2.gz PTDWEXLXOYMPEU-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN c1cc(N2CCCCC2)ncc1CN1CCC1 ZINC001139339603 991222756 /nfs/dbraw/zinc/22/27/56/991222756.db2.gz DUBHUPOTEZUBRP-UHFFFAOYSA-N 0 1 231.343 2.278 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ncccc1F ZINC001308945694 991229787 /nfs/dbraw/zinc/22/97/87/991229787.db2.gz PQKGEBKKCNEWCR-MWGHHZFTSA-N 0 1 220.291 2.355 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CCC[C@H](C(C)C)C2)n1 ZINC001559760371 991243499 /nfs/dbraw/zinc/24/34/99/991243499.db2.gz QSSJOAMIGUSFQQ-LBPRGKRZSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H](C(C)C)C2)n1 ZINC001559760371 991243511 /nfs/dbraw/zinc/24/35/11/991243511.db2.gz QSSJOAMIGUSFQQ-LBPRGKRZSA-N 0 1 249.358 2.359 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](CC)[C@H]1C ZINC001559767883 991251159 /nfs/dbraw/zinc/25/11/59/991251159.db2.gz AUPBXXJPYQHXOB-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)c1ocnc1CN[C@](C)(CO)C(C)C ZINC001559813340 991269658 /nfs/dbraw/zinc/26/96/58/991269658.db2.gz CQKOGODGYRNNOS-CYBMUJFWSA-N 0 1 240.347 2.295 20 0 BEADMN CCC[N@@H+](C)Cc1cn2c(cccc2F)n1 ZINC001139565673 991273527 /nfs/dbraw/zinc/27/35/27/991273527.db2.gz GDHHTUYAGYQZBJ-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN CCCN(C)Cc1cn2c(cccc2F)n1 ZINC001139565673 991273545 /nfs/dbraw/zinc/27/35/45/991273545.db2.gz GDHHTUYAGYQZBJ-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN CC(C)N(C)Cc1cn2c(cccc2F)n1 ZINC001139565732 991275333 /nfs/dbraw/zinc/27/53/33/991275333.db2.gz IZEKQOQQXBIHPD-UHFFFAOYSA-N 0 1 221.279 2.314 20 0 BEADMN COC(=O)CC[C@H](C)NC1(c2ccccn2)CC1 ZINC001258355699 991288611 /nfs/dbraw/zinc/28/86/11/991288611.db2.gz ICBGQIFESBJIGF-NSHDSACASA-N 0 1 248.326 2.002 20 0 BEADMN COc1ccncc1CN1CCC[C@@H](F)CC1 ZINC001139606643 991289555 /nfs/dbraw/zinc/28/95/55/991289555.db2.gz KLACUJHOQUOXEL-GFCCVEGCSA-N 0 1 238.306 2.414 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)Nc1ccccc1F ZINC001309979030 991293986 /nfs/dbraw/zinc/29/39/86/991293986.db2.gz XASOWLFDZJVHGY-UHFFFAOYSA-N 0 1 248.261 2.213 20 0 BEADMN O=C(Nc1c[nH]nn1)Nc1ccccc1Cl ZINC001310096254 991294894 /nfs/dbraw/zinc/29/48/94/991294894.db2.gz YPOWHMHCDZVMLF-UHFFFAOYSA-N 0 1 237.650 2.102 20 0 BEADMN CCOc1ccncc1CN(C)CC1CC1 ZINC001139627560 991301984 /nfs/dbraw/zinc/30/19/84/991301984.db2.gz ULYXMYZEEAIXFJ-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cn2ccncc2n1 ZINC001139693225 991317963 /nfs/dbraw/zinc/31/79/63/991317963.db2.gz UVIOLRRBEFQNKL-TXEJJXNPSA-N 0 1 244.342 2.492 20 0 BEADMN F[C@@H]1CCCN(Cc2cn3ccncc3n2)CC1 ZINC001139694474 991322602 /nfs/dbraw/zinc/32/26/02/991322602.db2.gz PCUDMZODDGSCDF-LLVKDONJSA-N 0 1 248.305 2.053 20 0 BEADMN CC[C@@H]1CCCN(Cc2cn3ccncc3n2)C1 ZINC001139699256 991323915 /nfs/dbraw/zinc/32/39/15/991323915.db2.gz QWCLNWZJPHQQNQ-GFCCVEGCSA-N 0 1 244.342 2.351 20 0 BEADMN Cc1cc(O)cc(C)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001139711835 991338234 /nfs/dbraw/zinc/33/82/34/991338234.db2.gz LPYONCFZKWASTO-OKILXGFUSA-N 0 1 247.338 2.372 20 0 BEADMN Cc1cc(O)cc(C)c1CN1CCOC2(CC2)C1 ZINC001139717180 991342844 /nfs/dbraw/zinc/34/28/44/991342844.db2.gz QXEBXZIOOMEATM-UHFFFAOYSA-N 0 1 247.338 2.374 20 0 BEADMN CCCCC[C@H](CC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258427760 991354505 /nfs/dbraw/zinc/35/45/05/991354505.db2.gz GWMVYWSHSTVOSB-WCBMZHEXSA-N 0 1 244.360 2.244 20 0 BEADMN OCC1CN(Cc2ccccc2C(F)F)C1 ZINC001139799495 991373471 /nfs/dbraw/zinc/37/34/71/991373471.db2.gz QKHFACQSMAEORN-UHFFFAOYSA-N 0 1 227.254 2.048 20 0 BEADMN Cc1cnc(CN2CCC3(CC3)C2)s1 ZINC001139810153 991378603 /nfs/dbraw/zinc/37/86/03/991378603.db2.gz HOVGTDFJZHDRGM-UHFFFAOYSA-N 0 1 208.330 2.437 20 0 BEADMN CCCCC[C@H](CC)N1CC(=O)NC[C@H]1C ZINC001258443446 991384513 /nfs/dbraw/zinc/38/45/13/991384513.db2.gz MSRFZUCBXDOTCU-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN Fc1cc(CN2CCc3ccncc3C2)ccn1 ZINC001139833404 991391988 /nfs/dbraw/zinc/39/19/88/991391988.db2.gz AZXJAGANERRLGN-UHFFFAOYSA-N 0 1 243.285 2.174 20 0 BEADMN Fc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)ccn1 ZINC001139836350 991396270 /nfs/dbraw/zinc/39/62/70/991396270.db2.gz IUGUCSJHSCNSCY-GARJFASQSA-N 0 1 224.254 2.011 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)nc1 ZINC001139839711 991398504 /nfs/dbraw/zinc/39/85/04/991398504.db2.gz PPWCEOVHWRCXSY-DZGCQCFKSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@@H](CC1CC1)n1c(CN)nc2cnccc21 ZINC001258457260 991410664 /nfs/dbraw/zinc/41/06/64/991410664.db2.gz VGCKSJVNYKPBJL-VIFPVBQESA-N 0 1 230.315 2.251 20 0 BEADMN C[C@H](CC1CC1)N(C)Cc1ncccn1 ZINC001258458125 991412992 /nfs/dbraw/zinc/41/29/92/991412992.db2.gz PSQCAAQEIJFDDT-SNVBAGLBSA-N 0 1 205.305 2.097 20 0 BEADMN CC(=O)N1CCCC[C@H]1CN(C)C/C=C\Cl ZINC001316800705 991416646 /nfs/dbraw/zinc/41/66/46/991416646.db2.gz HQFXACOEATZBDZ-HWPRWLFBSA-N 0 1 244.766 2.072 20 0 BEADMN CCN(CCn1cccn1)Cc1ccc(C)nc1 ZINC001139933250 991422876 /nfs/dbraw/zinc/42/28/76/991422876.db2.gz SNXMHFSMKDMRLL-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN Cn1ncc2cc(CN3CCSCC3)ccc21 ZINC001139949380 991427033 /nfs/dbraw/zinc/42/70/33/991427033.db2.gz JKYMXEQKEXDRFY-UHFFFAOYSA-N 0 1 247.367 2.122 20 0 BEADMN C[C@@H]1CCN1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139934660 991427580 /nfs/dbraw/zinc/42/75/80/991427580.db2.gz HRVDVMIXQNABJZ-SSDOTTSWSA-N 0 1 236.706 2.157 20 0 BEADMN COc1ncnc2c1CCN([C@H](C)CC1CC1)C2 ZINC001258467801 991429723 /nfs/dbraw/zinc/42/97/23/991429723.db2.gz NJDSUCHIPLCRQV-SNVBAGLBSA-N 0 1 247.342 2.032 20 0 BEADMN c1cc(CN2CCC(OC3CCC3)CC2)cnn1 ZINC001139981453 991452358 /nfs/dbraw/zinc/45/23/58/991452358.db2.gz JIVTYRPCNYSTIY-UHFFFAOYSA-N 0 1 247.342 2.010 20 0 BEADMN CN(C)c1cccc(CNCc2cnsc2)c1 ZINC001560317844 991453859 /nfs/dbraw/zinc/45/38/59/991453859.db2.gz JIDUMQWPABDHHQ-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN Cc1ccc(CN(C)Cc2ccnnc2)cc1 ZINC001139983019 991455968 /nfs/dbraw/zinc/45/59/68/991455968.db2.gz KPZYIXWUAOKBKJ-UHFFFAOYSA-N 0 1 227.311 2.417 20 0 BEADMN COc1nsc(CNC2(C)CC2)c1Cl ZINC001560336744 991458058 /nfs/dbraw/zinc/45/80/58/991458058.db2.gz ZOEIMWXOIQCLDK-UHFFFAOYSA-N 0 1 232.736 2.447 20 0 BEADMN c1ccc2cc(CN3CCCOCC3)ncc2c1 ZINC001139993886 991474349 /nfs/dbraw/zinc/47/43/49/991474349.db2.gz DFYNUNFJYBVNOA-UHFFFAOYSA-N 0 1 242.322 2.457 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@@H]1Nc1n[nH]c(N(C)C)n1 ZINC001560466868 991480788 /nfs/dbraw/zinc/48/07/88/991480788.db2.gz FKRQJJKTZHXFFW-BDAKNGLRSA-N 0 1 237.351 2.107 20 0 BEADMN C[N@H+](Cc1ccc(O)cc1F)CC1CC1 ZINC001140125068 991527649 /nfs/dbraw/zinc/52/76/49/991527649.db2.gz NUJSFOIGTCCOGS-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN Oc1ccc(CN2CC3CC(C3)C2)c(F)c1 ZINC001140130201 991532121 /nfs/dbraw/zinc/53/21/21/991532121.db2.gz VJPHITHDIYUNHC-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN Fc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)n1 ZINC001140133478 991532832 /nfs/dbraw/zinc/53/28/32/991532832.db2.gz IZLMTOICFPKSMQ-INTQDDNPSA-N 0 1 224.254 2.153 20 0 BEADMN Fc1cccc(CN2C[C@H]3CC[C@@H]2C3)n1 ZINC001140134295 991536715 /nfs/dbraw/zinc/53/67/15/991536715.db2.gz PQPGTDVFKPROHZ-GXSJLCMTSA-N 0 1 206.264 2.205 20 0 BEADMN C[C@H](Cc1cccnc1)N1CC[C@@H](F)C1 ZINC001258622302 991550910 /nfs/dbraw/zinc/55/09/10/991550910.db2.gz JZGVQBIHSHWKCZ-ZYHUDNBSSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCCC(=O)[C@H](C)C1 ZINC001258622104 991551430 /nfs/dbraw/zinc/55/14/30/991551430.db2.gz HDNRFPIMRUHMER-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCn2cccc2C1 ZINC001258628583 991563646 /nfs/dbraw/zinc/56/36/46/991563646.db2.gz REUMINVALLBVTD-CYBMUJFWSA-N 0 1 241.338 2.330 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001560697152 991563849 /nfs/dbraw/zinc/56/38/49/991563849.db2.gz OLIRRLYNVCHCHE-SNVBAGLBSA-N 0 1 205.305 2.060 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCC[C@H](F)C1 ZINC001258627112 991566191 /nfs/dbraw/zinc/56/61/91/991566191.db2.gz HZJAEWYHWBNXPX-AAEUAGOBSA-N 0 1 222.307 2.447 20 0 BEADMN CCCCN(CC(=O)N(C)C)Cc1ccccc1 ZINC001203012356 991566899 /nfs/dbraw/zinc/56/68/99/991566899.db2.gz HYZNAHQWTIQHJB-UHFFFAOYSA-N 0 1 248.370 2.377 20 0 BEADMN CC[C@@H]1COCCN1[C@H](C)Cc1cccnc1 ZINC001258630762 991570460 /nfs/dbraw/zinc/57/04/60/991570460.db2.gz YFSOWONOCIPOOF-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@H]1COCCN1[C@@H](C)Cc1cccnc1 ZINC001258630758 991571012 /nfs/dbraw/zinc/57/10/12/991571012.db2.gz YFSOWONOCIPOOF-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)[C@@H]1CN([C@@H](C)Cc2cccnc2)CCO1 ZINC001258635133 991574235 /nfs/dbraw/zinc/57/42/35/991574235.db2.gz XELJNFGZDRJPJG-ZFWWWQNUSA-N 0 1 248.370 2.369 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccncc2[O-])[C@H](C)C1 ZINC001140276864 991586727 /nfs/dbraw/zinc/58/67/27/991586727.db2.gz NBOAUWVEIRQMHX-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccncc2[O-])C1 ZINC001140277367 991587832 /nfs/dbraw/zinc/58/78/32/991587832.db2.gz WWAUXMKHDDPZBY-PHIMTYICSA-N 0 1 220.316 2.265 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140277381 991591358 /nfs/dbraw/zinc/59/13/58/991591358.db2.gz XFXURAKWVDSLSC-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN CCC[C@H](Cc1ccccc1)N1CC(O)C1 ZINC001258657860 991592527 /nfs/dbraw/zinc/59/25/27/991592527.db2.gz VCNBWBZEYYNPMS-CYBMUJFWSA-N 0 1 219.328 2.074 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccncc2[O-])[C@@H]1C ZINC001140277812 991600852 /nfs/dbraw/zinc/60/08/52/991600852.db2.gz MXJGASDWGIIUHW-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCCO3)c2c1 ZINC001140328602 991604356 /nfs/dbraw/zinc/60/43/56/991604356.db2.gz HWHSAACEDJZBIP-UHFFFAOYSA-N 0 1 217.272 2.009 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)CC(C)(C)C)C1 ZINC001318000227 991608375 /nfs/dbraw/zinc/60/83/75/991608375.db2.gz YDFQAOGHKAHAPO-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)CC(C)(C)C)C1 ZINC001318000228 991608865 /nfs/dbraw/zinc/60/88/65/991608865.db2.gz YDFQAOGHKAHAPO-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc2scnc2c1 ZINC001560834065 991615618 /nfs/dbraw/zinc/61/56/18/991615618.db2.gz CHULZWUGDVBTTD-CABZTGNLSA-N 0 1 248.351 2.251 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001591088131 991619213 /nfs/dbraw/zinc/61/92/13/991619213.db2.gz ZVRVIBSZTSUHBB-GFCCVEGCSA-N 0 1 236.315 2.333 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258695008 991632515 /nfs/dbraw/zinc/63/25/15/991632515.db2.gz YCAVXXJFDPRFNB-GXSJLCMTSA-N 0 1 236.363 2.433 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2n[nH]cc2c1 ZINC001140389742 991634243 /nfs/dbraw/zinc/63/42/43/991634243.db2.gz FQPNANRRWMMWIR-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001318219201 991636801 /nfs/dbraw/zinc/63/68/01/991636801.db2.gz BLXZGXJVIQZKSM-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC[C@H]3C[C@H]32)c(C)c1C(=O)[O-] ZINC001140496595 991654262 /nfs/dbraw/zinc/65/42/62/991654262.db2.gz JYIQYTQEIDERLC-CMPLNLGQSA-N 0 1 248.326 2.314 20 0 BEADMN CCC[N@@H+](C)Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001140493913 991654578 /nfs/dbraw/zinc/65/45/78/991654578.db2.gz OVJDERNLBLNSGT-UHFFFAOYSA-N 0 1 224.304 2.172 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001140493916 991654918 /nfs/dbraw/zinc/65/49/18/991654918.db2.gz OXLRRIJPHPBGCG-QMMMGPOBSA-N 0 1 236.315 2.172 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1O ZINC001140573523 991673099 /nfs/dbraw/zinc/67/30/99/991673099.db2.gz NNZJYWSVLDGPQH-AVGNSLFASA-N 0 1 235.302 2.490 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001318520880 991674051 /nfs/dbraw/zinc/67/40/51/991674051.db2.gz CVZRCQRHOWPTDA-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Fc1cccnc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC001561005579 991684741 /nfs/dbraw/zinc/68/47/41/991684741.db2.gz DNHZKCWLVYADIQ-AOOOYVTPSA-N 0 1 238.331 2.016 20 0 BEADMN CC[C@H]1C(=O)NCCC[N@@H+]1CCCCC(C)C ZINC001561042733 991697069 /nfs/dbraw/zinc/69/70/69/991697069.db2.gz ICKKJRGFWXSJPS-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN Cl/C=C/CNCc1ccc2nonc2c1 ZINC001561038918 991697330 /nfs/dbraw/zinc/69/73/30/991697330.db2.gz DSRUXWURSXFBMY-DAFODLJHSA-N 0 1 223.663 2.065 20 0 BEADMN CC1(C)CN(CC(=O)N2CCCCC2)C1(C)C ZINC001318955619 991748653 /nfs/dbraw/zinc/74/86/53/991748653.db2.gz DGZXOLYJFCNRQZ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001318952598 991750827 /nfs/dbraw/zinc/75/08/27/991750827.db2.gz CLFVCCDOVDJUIN-HNNXBMFYSA-N 0 1 248.345 2.451 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)NCCN1CC=CC1 ZINC001318973307 991752284 /nfs/dbraw/zinc/75/22/84/991752284.db2.gz HRHNVMDKBGTRST-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)N1CC[C@H]1C(=O)OC ZINC001258792696 991772342 /nfs/dbraw/zinc/77/23/42/991772342.db2.gz XPMJEBJYGYWUKE-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1CC[C@H]1C(=O)OC ZINC001258792694 991777623 /nfs/dbraw/zinc/77/76/23/991777623.db2.gz XPMJEBJYGYWUKE-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258796149 991784388 /nfs/dbraw/zinc/78/43/88/991784388.db2.gz XTOBXQSZLWNPTK-KXNHARMFSA-N 0 1 244.354 2.099 20 0 BEADMN CC(=CC(=O)NCc1cc(C)[nH]n1)c1ccco1 ZINC001565726794 991801674 /nfs/dbraw/zinc/80/16/74/991801674.db2.gz BCKRUYOJTFAVEW-TWGQIWQCSA-N 0 1 245.282 2.031 20 0 BEADMN C[C@H]1CCC[C@H](N2CCc3cnn(C)c3C2)C1 ZINC001258826212 991850980 /nfs/dbraw/zinc/85/09/80/991850980.db2.gz BWORIZSWAIFWRO-AAEUAGOBSA-N 0 1 233.359 2.357 20 0 BEADMN C[C@H]1CCC[C@@H](N2CCc3c(ncn3C)C2)C1 ZINC001258825901 991851337 /nfs/dbraw/zinc/85/13/37/991851337.db2.gz GHKVSQUFKFRVAC-NWDGAFQWSA-N 0 1 233.359 2.357 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(O)cc1F ZINC001566760825 991875381 /nfs/dbraw/zinc/87/53/81/991875381.db2.gz YWCZDVOMMPXOBO-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1CCC12COC2 ZINC001258849346 991880192 /nfs/dbraw/zinc/88/01/92/991880192.db2.gz OTPYTIIAEAZLOP-AWEZNQCLSA-N 0 1 231.339 2.482 20 0 BEADMN Cc1cc(CNc2cnn(CC(C)C)c2)n[nH]1 ZINC001319558914 991894876 /nfs/dbraw/zinc/89/48/76/991894876.db2.gz PSYUZMVKHQBVDS-UHFFFAOYSA-N 0 1 233.319 2.183 20 0 BEADMN C=C/C=C/CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC001567068284 991937137 /nfs/dbraw/zinc/93/71/37/991937137.db2.gz FBMDXHGFXISZQL-FVWNJDPFSA-N 0 1 236.359 2.060 20 0 BEADMN Cc1c(C(=O)N(C)C(C)C)ccc2cncn21 ZINC001319877331 992015947 /nfs/dbraw/zinc/01/59/47/992015947.db2.gz NZCJTUZERHVEQR-UHFFFAOYSA-N 0 1 231.299 2.123 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@H]1C ZINC001567392773 992027914 /nfs/dbraw/zinc/02/79/14/992027914.db2.gz MFUADPCXHSWTAB-HLTSFMKQSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)[nH]n2)CCS1 ZINC001319948152 992041585 /nfs/dbraw/zinc/04/15/85/992041585.db2.gz ISYLXCXBMXJVFY-LLVKDONJSA-N 0 1 225.361 2.046 20 0 BEADMN CCCN(C(C)=O)[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001567677787 992071575 /nfs/dbraw/zinc/07/15/75/992071575.db2.gz KWVAGHLEILHEDT-QWHCGFSZSA-N 0 1 244.354 2.067 20 0 BEADMN CCCCN1CC(NC(=O)/C=C\C(C)(C)C)C1 ZINC001567786820 992091162 /nfs/dbraw/zinc/09/11/62/992091162.db2.gz POUODGRATSADEL-FPLPWBNLSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)C[C@@H](C)CC)C1 ZINC001567790357 992094629 /nfs/dbraw/zinc/09/46/29/992094629.db2.gz MOMRULRYYWQUQC-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)[nH]n1 ZINC001320422155 992199621 /nfs/dbraw/zinc/19/96/21/992199621.db2.gz BPOYBAQSDXWJIS-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN Cc1cc(CN2CCOCC3(CCCC3)C2)[nH]n1 ZINC001320422155 992199628 /nfs/dbraw/zinc/19/96/28/992199628.db2.gz BPOYBAQSDXWJIS-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccccn1 ZINC001320491005 992220341 /nfs/dbraw/zinc/22/03/41/992220341.db2.gz LTJGHEPGDVNEMY-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN COC[C@H]1CCN(Cc2ncoc2C(C)C)C1 ZINC001320547795 992241681 /nfs/dbraw/zinc/24/16/81/992241681.db2.gz KKWHQXNRWFNIKB-NSHDSACASA-N 0 1 238.331 2.266 20 0 BEADMN CCCCN1CCN(C(=O)C2=CCCC2)CC1 ZINC001261280738 992246003 /nfs/dbraw/zinc/24/60/03/992246003.db2.gz UIADKYHOTDSHPI-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CC[C@H](CSC)N(C)CN1C(=O)CC1(C)C ZINC001320584919 992260730 /nfs/dbraw/zinc/26/07/30/992260730.db2.gz FISDSFHTDMVPOP-SNVBAGLBSA-N 0 1 244.404 2.028 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@@H](C)[C@@H]1CO ZINC001320604546 992267631 /nfs/dbraw/zinc/26/76/31/992267631.db2.gz ZXLCOSORLIBLQR-PWSUYJOCSA-N 0 1 238.331 2.001 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@@H](C)[C@H]1CO ZINC001320604548 992269007 /nfs/dbraw/zinc/26/90/07/992269007.db2.gz ZXLCOSORLIBLQR-ZYHUDNBSSA-N 0 1 238.331 2.001 20 0 BEADMN CC(C)=CCN1CC[C@@H]1CNC(=O)C=C(C)C ZINC001569344406 992363263 /nfs/dbraw/zinc/36/32/63/992363263.db2.gz DYUZWSCRDLMHKL-CYBMUJFWSA-N 0 1 236.359 2.109 20 0 BEADMN CCCCN1CC(C(=O)OC(C)(C)C)C1 ZINC001474751513 992372487 /nfs/dbraw/zinc/37/24/87/992372487.db2.gz OIMCNVHASUEAPA-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)=CCN1CC[C@H]1CNC(=O)C(C)(C)C ZINC001569381224 992376823 /nfs/dbraw/zinc/37/68/23/992376823.db2.gz KNCSDFIQOBRIHU-LBPRGKRZSA-N 0 1 238.375 2.189 20 0 BEADMN O=C(OCc1nnc[nH]1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001261589274 992412595 /nfs/dbraw/zinc/41/25/95/992412595.db2.gz ABRIJARVSUDBBD-MNOVXSKESA-N 0 1 249.314 2.064 20 0 BEADMN CCn1ncnc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321327358 992518033 /nfs/dbraw/zinc/51/80/33/992518033.db2.gz VRMJZSUCTRDUFS-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1ncnc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001321327355 992518151 /nfs/dbraw/zinc/51/81/51/992518151.db2.gz VRMJZSUCTRDUFS-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)C(C)C ZINC001591429151 992521164 /nfs/dbraw/zinc/52/11/64/992521164.db2.gz WZCMGNMIFBQSSA-NSHDSACASA-N 0 1 243.347 2.033 20 0 BEADMN CC(C)(C)c1ccc(NC(=O)CN)cc1F ZINC001262045674 992628770 /nfs/dbraw/zinc/62/87/70/992628770.db2.gz XPSYAZVBLLINIE-UHFFFAOYSA-N 0 1 224.279 2.020 20 0 BEADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573589711 992646670 /nfs/dbraw/zinc/64/66/70/992646670.db2.gz IROYHZJCECIXKQ-XHVZSJERSA-N 0 1 249.310 2.106 20 0 BEADMN C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC001573608653 992648579 /nfs/dbraw/zinc/64/85/79/992648579.db2.gz VGINZCGLIMQMOI-JTQLQIEISA-N 0 1 239.340 2.184 20 0 BEADMN C[C@H]([NH2+]Cc1ccc(C(C)(C)C)o1)C(=O)[O-] ZINC001573630455 992657147 /nfs/dbraw/zinc/65/71/47/992657147.db2.gz IROKHFGYVUPORK-QMMMGPOBSA-N 0 1 225.288 2.140 20 0 BEADMN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2)[C@H]1C ZINC001573643120 992667812 /nfs/dbraw/zinc/66/78/12/992667812.db2.gz WTBGMZCYODRMSX-NOOOWODRSA-N 0 1 225.332 2.106 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC001262161967 992722669 /nfs/dbraw/zinc/72/26/69/992722669.db2.gz ZMHJLRBIIBAYTB-HTQZYQBOSA-N 0 1 241.253 2.370 20 0 BEADMN CSc1cncc(NCc2cc(C)[nH]n2)c1 ZINC001262167223 992739102 /nfs/dbraw/zinc/73/91/02/992739102.db2.gz FAMAPBOXSKURLZ-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN C[N@@H+](Cc1ccccc1CF)C(C)(C)C(=O)[O-] ZINC001598529682 992764211 /nfs/dbraw/zinc/76/42/11/992764211.db2.gz UBCDBRWSPOODMS-UHFFFAOYSA-N 0 1 239.290 2.451 20 0 BEADMN CCOC(=O)/C=C/CNC1(c2ccccc2)CC1 ZINC001262238040 992817584 /nfs/dbraw/zinc/81/75/84/992817584.db2.gz PPTKCBQPIOVYRN-RMKNXTFCSA-N 0 1 245.322 2.385 20 0 BEADMN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1cn[nH]c1 ZINC001262258713 992822602 /nfs/dbraw/zinc/82/26/02/992822602.db2.gz QVBCDUVLBHNAQG-RKDXNWHRSA-N 0 1 234.278 2.356 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCO[C@H](COC(C)C)C1 ZINC001262260974 992824451 /nfs/dbraw/zinc/82/44/51/992824451.db2.gz AIFPUYYOLRVUIA-RDBSUJKOSA-N 0 1 241.375 2.158 20 0 BEADMN CSC(C)(C)CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574254083 992827791 /nfs/dbraw/zinc/82/77/91/992827791.db2.gz NOFTUQRKHSUAGX-NXEZZACHSA-N 0 1 245.388 2.456 20 0 BEADMN O=C([O-])CCC[N@H+]1CCCc2ccccc2CC1 ZINC001574362299 992851763 /nfs/dbraw/zinc/85/17/63/992851763.db2.gz QEUPITSQUNEBMI-UHFFFAOYSA-N 0 1 247.338 2.342 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574479504 992867686 /nfs/dbraw/zinc/86/76/86/992867686.db2.gz MXPDROGXHPVUOK-CABZTGNLSA-N 0 1 236.315 2.333 20 0 BEADMN C[S@@](=O)c1ccc(CNC/C=C\Cl)cc1 ZINC001262378897 992870456 /nfs/dbraw/zinc/87/04/56/992870456.db2.gz NVXIGHXMBQGHGU-SJXOGVDTSA-N 0 1 243.759 2.266 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC001262486551 992890163 /nfs/dbraw/zinc/89/01/63/992890163.db2.gz WEHRCAIQTWZMOQ-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cccnc1[C@@H](C)NC[C@@](C)(O)C(F)F ZINC001262560916 992913716 /nfs/dbraw/zinc/91/37/16/992913716.db2.gz GQMZEOKITKEQDG-BXKDBHETSA-N 0 1 244.285 2.057 20 0 BEADMN CCc1csc([C@H](C)N[C@H](C)[C@@H](C)O)n1 ZINC001262574822 992930546 /nfs/dbraw/zinc/93/05/46/992930546.db2.gz ATQIAFXYTVDLQP-HRDYMLBCSA-N 0 1 228.361 2.125 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@H]1CC1(C)C ZINC001262652802 993004716 /nfs/dbraw/zinc/00/47/16/993004716.db2.gz QDYQBBVRRDLTMS-MRVPVSSYSA-N 0 1 244.298 2.251 20 0 BEADMN NCc1nccnc1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001262694372 993036805 /nfs/dbraw/zinc/03/68/05/993036805.db2.gz RQPNLRCJOQJDQV-NWDGAFQWSA-N 0 1 246.358 2.316 20 0 BEADMN C[C@@H](NCc1ccc2[nH]ccc2c1)c1c[nH]nn1 ZINC001575695660 993096644 /nfs/dbraw/zinc/09/66/44/993096644.db2.gz GKPPTVBYPKDYRZ-SECBINFHSA-N 0 1 241.298 2.137 20 0 BEADMN CC(C)c1cc(NC(=O)c2ccc(CN)o2)no1 ZINC001575850504 993115745 /nfs/dbraw/zinc/11/57/45/993115745.db2.gz OUMWTPJQFZIXFW-UHFFFAOYSA-N 0 1 249.270 2.102 20 0 BEADMN C[C@H](N)c1nnn(CCC2CCCCCC2)n1 ZINC001576174950 993202751 /nfs/dbraw/zinc/20/27/51/993202751.db2.gz ABGHTCLJEGWRJS-JTQLQIEISA-N 0 1 237.351 2.053 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CC=CC[C@H]1C ZINC001263361655 993243461 /nfs/dbraw/zinc/24/34/61/993243461.db2.gz NGNSIZMFDNNZEB-MWLCHTKSSA-N 0 1 234.299 2.477 20 0 BEADMN CCC[C@@H](CC)OC(=O)c1[nH]cnc1C ZINC001263412238 993288444 /nfs/dbraw/zinc/28/84/44/993288444.db2.gz VQKXSTWSQNGYOF-SECBINFHSA-N 0 1 210.277 2.454 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CC[C@H](C)C1 ZINC001263440227 993313969 /nfs/dbraw/zinc/31/39/69/993313969.db2.gz NDJSBRXATQJEMQ-IONNQARKSA-N 0 1 208.261 2.064 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC12CCC(CC1)C2 ZINC001263487513 993340492 /nfs/dbraw/zinc/34/04/92/993340492.db2.gz KYOZDOWRSNGIIO-UHFFFAOYSA-N 0 1 234.299 2.455 20 0 BEADMN Cc1cc(CN[C@H](C)c2ncc(C)s2)n[nH]1 ZINC000381219016 993379188 /nfs/dbraw/zinc/37/91/88/993379188.db2.gz ILTZQPGMJGMVQV-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1ccncc1 ZINC001263610169 993417456 /nfs/dbraw/zinc/41/74/56/993417456.db2.gz HAAQMDBJWUMOEC-SECBINFHSA-N 0 1 231.255 2.031 20 0 BEADMN COc1cc2[nH]c([C@@H]3CCOC3)nc2cc1C ZINC000586912833 993417904 /nfs/dbraw/zinc/41/79/04/993417904.db2.gz WUDFSJTUFNGQOR-SECBINFHSA-N 0 1 232.283 2.384 20 0 BEADMN C[C@H](NC/C=C/C1CC1)c1cnccn1 ZINC000382178232 993441104 /nfs/dbraw/zinc/44/11/04/993441104.db2.gz YPBGPHWQNLRIQG-PBKGFPTLSA-N 0 1 203.289 2.093 20 0 BEADMN Cn1ncc(Cl)c1CNC/C=C/C1CC1 ZINC000382299093 993448269 /nfs/dbraw/zinc/44/82/69/993448269.db2.gz MWCQIAOQOVIPDA-NSCUHMNNSA-N 0 1 225.723 2.129 20 0 BEADMN CC(C)N1CC(Nc2ncnc3sccc32)C1 ZINC000383141109 993482244 /nfs/dbraw/zinc/48/22/44/993482244.db2.gz XKXNUBLZZOMQRV-UHFFFAOYSA-N 0 1 248.355 2.196 20 0 BEADMN CCCC(=CC(=O)N1CCN[C@H](C)C1)CCC ZINC001577317610 993587713 /nfs/dbraw/zinc/58/77/13/993587713.db2.gz PDMWQHAJIAKKKT-GFCCVEGCSA-N 0 1 238.375 2.333 20 0 BEADMN C[C@@H](NCc1cc[nH]c(=O)c1)c1ccccn1 ZINC000392789779 993883425 /nfs/dbraw/zinc/88/34/25/993883425.db2.gz KSKKUQBPJSAYHC-SNVBAGLBSA-N 0 1 229.283 2.033 20 0 BEADMN Fc1ccc2nc(-c3cccnn3)[nH]c2c1 ZINC000701785030 993910137 /nfs/dbraw/zinc/91/01/37/993910137.db2.gz PGJMEMGWZPYAHZ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2ncccn2)C1 ZINC000702397218 994000720 /nfs/dbraw/zinc/00/07/20/994000720.db2.gz KONUTWFYNSHGPG-MNOVXSKESA-N 0 1 205.305 2.145 20 0 BEADMN Cc1ncc(CN2CCC(C(F)(F)F)CC2)[nH]1 ZINC000724780950 994074918 /nfs/dbraw/zinc/07/49/18/994074918.db2.gz VGJLWYMDPBWIJK-UHFFFAOYSA-N 0 1 247.264 2.492 20 0 BEADMN C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])co1)c1cn[nH]c1 ZINC001593197633 994163624 /nfs/dbraw/zinc/16/36/24/994163624.db2.gz KJGDSSGRRAQDTJ-HTQZYQBOSA-N 0 1 249.270 2.113 20 0 BEADMN C(=C/C1CC1)\CN[C@H]1CCCn2ccnc21 ZINC001332946425 994407876 /nfs/dbraw/zinc/40/78/76/994407876.db2.gz MGCZGALGBAFWKS-JWPFQLSCSA-N 0 1 217.316 2.274 20 0 BEADMN O=C(Nc1ccc(Cl)cc1)c1cnncc1O ZINC001290166276 994529731 /nfs/dbraw/zinc/52/97/31/994529731.db2.gz VXQFOQKOMWYJBF-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN O=C(Nc1cnoc1)c1c(F)nccc1Cl ZINC001292677219 994622489 /nfs/dbraw/zinc/62/24/89/994622489.db2.gz MVTOQJLGVAJEMB-UHFFFAOYSA-N 0 1 241.609 2.114 20 0 BEADMN CCN1CC[C@H]1C(=O)N1CCC[C@H]1CC(C)C ZINC001292677593 994624808 /nfs/dbraw/zinc/62/48/08/994624808.db2.gz SWVGVKVEQUCBEA-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN COCn1ncc(C)c1CN1CC[C@@H]1C(C)C ZINC001334933936 994655636 /nfs/dbraw/zinc/65/56/36/994655636.db2.gz AUNNKBARTXWCNJ-GFCCVEGCSA-N 0 1 237.347 2.026 20 0 BEADMN Nc1ccnc(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001335133566 994688161 /nfs/dbraw/zinc/68/81/61/994688161.db2.gz LKKBTKMIEFBJIT-VXGBXAGGSA-N 0 1 246.358 2.071 20 0 BEADMN CC1(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001294337090 994691676 /nfs/dbraw/zinc/69/16/76/994691676.db2.gz MMWSCQJSMSPFMY-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN C[C@H]([C@H](C)C(=O)N1CC(N(C)C)C1)C(C)(C)C ZINC001295881949 994786764 /nfs/dbraw/zinc/78/67/64/994786764.db2.gz NRFWMEKMMJAONH-WDEREUQCSA-N 0 1 240.391 2.077 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1C ZINC001296701594 994827380 /nfs/dbraw/zinc/82/73/80/994827380.db2.gz OXOYEBAINIUQIW-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)[C@@H]1C ZINC001296701594 994827385 /nfs/dbraw/zinc/82/73/85/994827385.db2.gz OXOYEBAINIUQIW-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1nc(C(C)C)co1 ZINC001298163651 994904877 /nfs/dbraw/zinc/90/48/77/994904877.db2.gz JVHXCQJDZLXVCV-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)c1[nH]ncc1F ZINC001299072426 994968706 /nfs/dbraw/zinc/96/87/06/994968706.db2.gz GXPOGAFFGQVLGB-ZETCQYMHSA-N 0 1 227.283 2.103 20 0 BEADMN C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593365631 995041792 /nfs/dbraw/zinc/04/17/92/995041792.db2.gz CXEPLUZVHLWUCU-LSJOCFKGSA-N 0 1 246.310 2.480 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@@H]1CCSC1 ZINC001304165212 995194965 /nfs/dbraw/zinc/19/49/65/995194965.db2.gz FKWGZLVZMVREKH-SECBINFHSA-N 0 1 247.323 2.026 20 0 BEADMN CN(Cc1cnc[nH]1)c1nc2cccc(F)c2o1 ZINC001307164980 995299840 /nfs/dbraw/zinc/29/98/40/995299840.db2.gz WBXFLUSAMYXSFS-UHFFFAOYSA-N 0 1 246.245 2.326 20 0 BEADMN CCOC(=O)CN(CC)CC12CCC(CC1)C2 ZINC001307431702 995357017 /nfs/dbraw/zinc/35/70/17/995357017.db2.gz AIXISZHZZPWYPO-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@@H](NCc1cccnc1N)c1cccc(O)c1 ZINC001307677624 995431330 /nfs/dbraw/zinc/43/13/30/995431330.db2.gz XABGFFVYKWSZKG-SNVBAGLBSA-N 0 1 243.310 2.220 20 0 BEADMN Cc1cc(CN2[C@@H](C)CC(O)C[C@@H]2C)sn1 ZINC001307687348 995431412 /nfs/dbraw/zinc/43/14/12/995431412.db2.gz ZDZVLKFOISTGNC-UWVGGRQHSA-N 0 1 240.372 2.185 20 0 BEADMN C[C@H](O)[C@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC001307720573 995445638 /nfs/dbraw/zinc/44/56/38/995445638.db2.gz GLKGBBSAZMSIBT-SGMGOOAPSA-N 0 1 237.318 2.326 20 0 BEADMN Cc1ncsc1CCCN1CC[C@H](F)C1 ZINC001307783726 995462695 /nfs/dbraw/zinc/46/26/95/995462695.db2.gz RXWWZBZIEIFQFP-JTQLQIEISA-N 0 1 228.336 2.428 20 0 BEADMN Cc1cc(CN2C[C@H]3CCCC[C@H]32)on1 ZINC001307901983 995492098 /nfs/dbraw/zinc/49/20/98/995492098.db2.gz ZVBCVSKOERVVAJ-ZYHUDNBSSA-N 0 1 206.289 2.357 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C)Cc1nnc(C)o1 ZINC001307916505 995495684 /nfs/dbraw/zinc/49/56/84/995495684.db2.gz FCWKUMMIFAQIQF-BDAKNGLRSA-N 0 1 211.309 2.244 20 0 BEADMN CC(C)[C@@H](O)CN1CCCC[C@@H]1c1ncccn1 ZINC001308046822 995533567 /nfs/dbraw/zinc/53/35/67/995533567.db2.gz BUWURHBCPOGMIX-OLZOCXBDSA-N 0 1 249.358 2.021 20 0 BEADMN CCC[C@H]1CCCN1Cc1ncccn1 ZINC001308134059 995560185 /nfs/dbraw/zinc/56/01/85/995560185.db2.gz NIYDZHNPUUYHFA-NSHDSACASA-N 0 1 205.305 2.241 20 0 BEADMN C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001593717571 996236424 /nfs/dbraw/zinc/23/64/24/996236424.db2.gz MYIKMMAZKWCMRW-MVVXRAEJSA-N 0 1 249.285 2.149 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593723688 996259489 /nfs/dbraw/zinc/25/94/89/996259489.db2.gz CHVJVLHIWWHRCZ-DMDPSCGWSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[NH+]1C2CCC1CC2 ZINC001593725285 996276379 /nfs/dbraw/zinc/27/63/79/996276379.db2.gz OSXZJERXVQEAMW-AFPNSQJFSA-N 0 1 236.271 2.061 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594113688 998229037 /nfs/dbraw/zinc/22/90/37/998229037.db2.gz RPOSUIHWJIAENY-MEBFFEOJSA-N 0 1 249.354 2.241 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@@H](C)C1 ZINC001594413107 999544045 /nfs/dbraw/zinc/54/40/45/999544045.db2.gz XVTHSTVMOBCLLR-HTQZYQBOSA-N 0 1 240.328 2.244 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)CCS1 ZINC001594416109 999554539 /nfs/dbraw/zinc/55/45/39/999554539.db2.gz AOPMDZAKWWGBMT-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H](F)c1ccccc1 ZINC001453295773 1170030035 /nfs/dbraw/zinc/03/00/35/1170030035.db2.gz YQNJJQJEYQIBHX-LBPRGKRZSA-N 0 1 247.273 2.079 20 0 BEADMN CCC[C@@H](NCc1cnn(C)c1)c1ccccn1 ZINC001620773157 1170115183 /nfs/dbraw/zinc/11/51/83/1170115183.db2.gz OSUXFLGTNBQBCH-CYBMUJFWSA-N 0 1 244.342 2.446 20 0 BEADMN Cn1ccnc1CN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001620802821 1170153284 /nfs/dbraw/zinc/15/32/84/1170153284.db2.gz YNNPIAFZNSNXDL-UONOGXRCSA-N 0 1 241.338 2.141 20 0 BEADMN Cn1ccnc1CN[C@H]1C[C@@H]1Cc1ccccc1 ZINC001620802819 1170152822 /nfs/dbraw/zinc/15/28/22/1170152822.db2.gz YNNPIAFZNSNXDL-KBPBESRZSA-N 0 1 241.338 2.141 20 0 BEADMN CCc1nc([C@H](C)NCc2ccc(F)cc2)n[nH]1 ZINC001620887872 1170165022 /nfs/dbraw/zinc/16/50/22/1170165022.db2.gz XGDLTQLHLOEOML-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CC(C)CC(N)=[NH+]OCc1ccc(C(=O)[O-])o1 ZINC001609693379 1170277377 /nfs/dbraw/zinc/27/73/77/1170277377.db2.gz MFQNJZPZGUZESD-UHFFFAOYSA-N 0 1 240.259 2.022 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001609829187 1170298486 /nfs/dbraw/zinc/29/84/86/1170298486.db2.gz ZCNQMPZQBZZJLC-JTQLQIEISA-N 0 1 246.310 2.178 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001609852416 1170299552 /nfs/dbraw/zinc/29/95/52/1170299552.db2.gz LESOAQLJTZZKMP-JTQLQIEISA-N 0 1 236.315 2.098 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)C(C)(C)C ZINC001610003411 1170337247 /nfs/dbraw/zinc/33/72/47/1170337247.db2.gz XBOYZSRGKZBASB-UHFFFAOYSA-N 0 1 238.331 2.344 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccn1C1CC1 ZINC001609999866 1170339323 /nfs/dbraw/zinc/33/93/23/1170339323.db2.gz OSIUAJKTLZYTMQ-UHFFFAOYSA-N 0 1 236.315 2.120 20 0 BEADMN CCc1ccccc1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610067590 1170344114 /nfs/dbraw/zinc/34/41/14/1170344114.db2.gz NCGJKBLYVSLGLD-WDNDVIMCSA-N 0 1 245.322 2.011 20 0 BEADMN CCc1oc(C[N@H+]2C[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001610078180 1170346642 /nfs/dbraw/zinc/34/66/42/1170346642.db2.gz KFCCNVBUABDGEK-DTWKUNHWSA-N 0 1 237.299 2.380 20 0 BEADMN CCc1oc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001610078190 1170347668 /nfs/dbraw/zinc/34/76/68/1170347668.db2.gz KFCCNVBUABDGEK-RKDXNWHRSA-N 0 1 237.299 2.380 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](F)C1 ZINC001610529916 1170381672 /nfs/dbraw/zinc/38/16/72/1170381672.db2.gz VHVYBSBGXXLWSY-JQWIXIFHSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@H](F)C1 ZINC001610529916 1170381678 /nfs/dbraw/zinc/38/16/78/1170381678.db2.gz VHVYBSBGXXLWSY-JQWIXIFHSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1occc1C[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001610588275 1170385413 /nfs/dbraw/zinc/38/54/13/1170385413.db2.gz ZEZUQCTXZUDQBU-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN C=C/C=C\CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC001610944681 1170424600 /nfs/dbraw/zinc/42/46/00/1170424600.db2.gz WJUGHQFJTXJRGA-GFVADAIESA-N 0 1 248.330 2.238 20 0 BEADMN Cc1nocc1NC(=O)c1scnc1Cl ZINC001611492392 1170439637 /nfs/dbraw/zinc/43/96/37/1170439637.db2.gz LULKLGFDKWHKKJ-UHFFFAOYSA-N 0 1 243.675 2.345 20 0 BEADMN Cc1ccc2sc(NCc3nnc[nH]3)nc2c1 ZINC001611869722 1170447269 /nfs/dbraw/zinc/44/72/69/1170447269.db2.gz IOFPIZVLTOTHAO-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1nnc(SCc2csc(C)n2)[nH]1 ZINC000014115732 1170495793 /nfs/dbraw/zinc/49/57/93/1170495793.db2.gz GHCWHUGHZDCWHZ-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1n[nH]c(SCc2csc(C)n2)n1 ZINC000014115732 1170495798 /nfs/dbraw/zinc/49/57/98/1170495798.db2.gz GHCWHUGHZDCWHZ-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN CC(C)(C)n1c2ccccc2nc1CN ZINC000034962098 1170604452 /nfs/dbraw/zinc/60/44/52/1170604452.db2.gz AMJIHCXJNCJNSB-UHFFFAOYSA-N 0 1 203.289 2.250 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H](CCCO)C2)o1 ZINC001618509944 1170640047 /nfs/dbraw/zinc/64/00/47/1170640047.db2.gz DUNKGJUCWNJHIM-RYUDHWBXSA-N 0 1 238.331 2.138 20 0 BEADMN CCCN(CC1CC1)C(=O)CCc1cc(C)[nH]n1 ZINC001618579311 1170641365 /nfs/dbraw/zinc/64/13/65/1170641365.db2.gz UJQOMBDKKSRQLD-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN CCOC[C@@H](NCc1ncccc1F)C(C)C ZINC001621303417 1170765301 /nfs/dbraw/zinc/76/53/01/1170765301.db2.gz XUHFXFHFYWKHGM-CYBMUJFWSA-N 0 1 240.322 2.371 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000035415367 1170904449 /nfs/dbraw/zinc/90/44/49/1170904449.db2.gz JTQDKYDAEXTHND-UHFFFAOYSA-N 0 1 207.273 2.225 20 0 BEADMN CC=CC=CC(=O)Nc1cccc2[nH]nnc21 ZINC001624596053 1171046595 /nfs/dbraw/zinc/04/65/95/1171046595.db2.gz VHKDUVLQPNMYGT-CRBCFSCISA-N 0 1 228.255 2.029 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(C)c(F)c1 ZINC001628371772 1171228738 /nfs/dbraw/zinc/22/87/38/1171228738.db2.gz GQDSYCHQIKABQU-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CC[C@@H](C)CCNC(=O)CCc1cc(C)[nH]n1 ZINC001628839766 1171270319 /nfs/dbraw/zinc/27/03/19/1171270319.db2.gz ZYIGHBNDFYDMQY-SNVBAGLBSA-N 0 1 237.347 2.203 20 0 BEADMN CCN(C(=O)[C@@H]1CCN1CC)C1CC(C)(C)C1 ZINC001629802731 1171342908 /nfs/dbraw/zinc/34/29/08/1171342908.db2.gz KNYCMAUUBAQFPY-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C(C)C)C2CC2)n[nH]1 ZINC001630016644 1171363489 /nfs/dbraw/zinc/36/34/89/1171363489.db2.gz LDBMXMLIZCZOOH-CQSZACIVSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(CCC(=O)N2[C@H](C)CC[C@H]2C)n[nH]1 ZINC001630191392 1171371184 /nfs/dbraw/zinc/37/11/84/1171371184.db2.gz VVGVUWSTFDOVKC-GHMZBOCLSA-N 0 1 235.331 2.050 20 0 BEADMN CCCN(C(=O)CCc1cc(C)[nH]n1)C1CC1 ZINC001631545481 1171462311 /nfs/dbraw/zinc/46/23/11/1171462311.db2.gz NZDJEGVVUUNOOM-UHFFFAOYSA-N 0 1 235.331 2.052 20 0 BEADMN CC[C@](C)(NC(=O)CCc1cc(C)[nH]n1)C1CC1 ZINC001633172716 1171562112 /nfs/dbraw/zinc/56/21/12/1171562112.db2.gz QSPKLUBQHSONTE-AWEZNQCLSA-N 0 1 249.358 2.346 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)OC(C)C ZINC000047868222 1171573557 /nfs/dbraw/zinc/57/35/57/1171573557.db2.gz PVAPSOGTUMGMEJ-JTQLQIEISA-N 0 1 201.310 2.058 20 0 BEADMN O=C(NCc1cnc[nH]1)c1ccsc1Cl ZINC001634074466 1171621066 /nfs/dbraw/zinc/62/10/66/1171621066.db2.gz SIWFTBJPFVWETH-UHFFFAOYSA-N 0 1 241.703 2.055 20 0 BEADMN Cc1cccc2c(C(=O)Nc3c[nH]nn3)coc21 ZINC001634387375 1171648276 /nfs/dbraw/zinc/64/82/76/1171648276.db2.gz JCMKVLKIFDZNOY-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN O=C(Nc1ccns1)c1cccc2nc[nH]c21 ZINC001634648635 1171670186 /nfs/dbraw/zinc/67/01/86/1171670186.db2.gz XCSUUGWMSMDPEE-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC1(C)CN(Cc2ccc3c(c2)OCO3)C1 ZINC000049111290 1171675945 /nfs/dbraw/zinc/67/59/45/1171675945.db2.gz QIKITLBMFKEEFG-UHFFFAOYSA-N 0 1 219.284 2.257 20 0 BEADMN C[C@@H](NC(=O)c1[nH]ncc1F)c1ccsc1 ZINC001635117993 1171698155 /nfs/dbraw/zinc/69/81/55/1171698155.db2.gz XKGHWGYORMXPBY-ZCFIWIBFSA-N 0 1 239.275 2.101 20 0 BEADMN Cc1cocc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC001635119949 1171698482 /nfs/dbraw/zinc/69/84/82/1171698482.db2.gz DKODWGLHIZZELE-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CN[C@H](C)c1nnc(-c2ccc(OC)cc2)o1 ZINC000049538292 1171700277 /nfs/dbraw/zinc/70/02/77/1171700277.db2.gz ISRGJHQDOGIKDJ-MRVPVSSYSA-N 0 1 233.271 2.026 20 0 BEADMN C[C@@H](NCc1cccn1C)c1ccco1 ZINC000049537842 1171700575 /nfs/dbraw/zinc/70/05/75/1171700575.db2.gz BGSSTIUVMUYGJH-SNVBAGLBSA-N 0 1 204.273 2.469 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2CCC[C@H]2C)[nH]1 ZINC001635610461 1171742545 /nfs/dbraw/zinc/74/25/45/1171742545.db2.gz MQTFXOQLTXGBAH-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)[nH]1 ZINC001635610670 1171744030 /nfs/dbraw/zinc/74/40/30/1171744030.db2.gz QWFYNUYCHBWREU-JBLDHEPKSA-N 0 1 247.342 2.025 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)[nH]1 ZINC001635610673 1171743277 /nfs/dbraw/zinc/74/32/77/1171743277.db2.gz QWFYNUYCHBWREU-SCVCMEIPSA-N 0 1 247.342 2.025 20 0 BEADMN COCCN(C)Cc1ccc(N)cc1Cl ZINC000049963188 1171755268 /nfs/dbraw/zinc/75/52/68/1171755268.db2.gz OLHPSDLJKYJPJB-UHFFFAOYSA-N 0 1 228.723 2.000 20 0 BEADMN O=C(Nc1ccc2cncn2c1)C1(CCF)CC1 ZINC001636207968 1171811868 /nfs/dbraw/zinc/81/18/68/1171811868.db2.gz PWUGSOXDTIKRSU-UHFFFAOYSA-N 0 1 247.273 2.413 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000050565565 1171818727 /nfs/dbraw/zinc/81/87/27/1171818727.db2.gz HBGLRPWBUIIMAP-GHMZBOCLSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1CN(C(=O)c2c3[nH]cnc3ccc2F)[C@H]1C ZINC001636687771 1171863069 /nfs/dbraw/zinc/86/30/69/1171863069.db2.gz DMZZGHGUQUTIIF-SFYZADRCSA-N 0 1 247.273 2.182 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000628314034 349433621 /nfs/dbraw/zinc/43/36/21/349433621.db2.gz KTVXALGLYUZXNI-GFCCVEGCSA-N 0 1 219.332 2.340 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340523747 398136835 /nfs/dbraw/zinc/13/68/35/398136835.db2.gz PPRZSBWLVNLCNE-GRYCIOLGSA-N 0 1 237.322 2.278 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340523749 398136921 /nfs/dbraw/zinc/13/69/21/398136921.db2.gz PPRZSBWLVNLCNE-SRVKXCTJSA-N 0 1 237.322 2.278 20 0 BEADMN CCC(CC)(CC)NC(=O)c1coc(CN)c1 ZINC000187893056 168317892 /nfs/dbraw/zinc/31/78/92/168317892.db2.gz JFFUHVKPPNPCQQ-UHFFFAOYSA-N 0 1 238.331 2.437 20 0 BEADMN CCC(CC)(CCO)NCc1ncc(C)o1 ZINC000282524718 168320932 /nfs/dbraw/zinc/32/09/32/168320932.db2.gz UHILWMQAQRQROR-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN Cn1ccnc1CN1CCCCCCC1 ZINC000070946243 398142549 /nfs/dbraw/zinc/14/25/49/398142549.db2.gz KWAWJLZDQZTOSF-UHFFFAOYSA-N 0 1 207.321 2.186 20 0 BEADMN COC(=O)c1ccc(CN2C3CCC2CC3)o1 ZINC000602151240 349462269 /nfs/dbraw/zinc/46/22/69/349462269.db2.gz SLUROIWSSABRMR-UHFFFAOYSA-N 0 1 235.283 2.193 20 0 BEADMN Cc1ccc(CCC[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000257676419 349471014 /nfs/dbraw/zinc/47/10/14/349471014.db2.gz NWAWJFMLQYUKHF-AWEZNQCLSA-N 0 1 247.338 2.334 20 0 BEADMN CCC[C@](C)(CO)NCc1nc2ccccc2o1 ZINC000605421573 343978387 /nfs/dbraw/zinc/97/83/87/343978387.db2.gz MGVTUBYWABFFCB-CQSZACIVSA-N 0 1 248.326 2.469 20 0 BEADMN CCC1CN(Cc2cnc3ccccc3n2)C1 ZINC000628304908 349488292 /nfs/dbraw/zinc/48/82/92/349488292.db2.gz AGXCYSBOOYXKGZ-UHFFFAOYSA-N 0 1 227.311 2.472 20 0 BEADMN CC(C)=CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876470 349494345 /nfs/dbraw/zinc/49/43/45/349494345.db2.gz IDUMOVDOWXDTHI-GFCCVEGCSA-N 0 1 211.305 2.139 20 0 BEADMN CCC(CC)(CO)CN[C@H](C)c1cc(C)on1 ZINC000340518287 168328233 /nfs/dbraw/zinc/32/82/33/168328233.db2.gz HQCBAKQSAGPCMP-LLVKDONJSA-N 0 1 240.347 2.432 20 0 BEADMN CC(C)n1cc([C@H](C)NCc2cn[nH]c2)cn1 ZINC000602287142 349493809 /nfs/dbraw/zinc/49/38/09/349493809.db2.gz ZFXVQUDXSXOFKA-JTQLQIEISA-N 0 1 233.319 2.038 20 0 BEADMN CC(C)COCCN1CCOC(C)(C)[C@H]1C ZINC000336670831 187321884 /nfs/dbraw/zinc/32/18/84/187321884.db2.gz XKQVPJPMPWMLOK-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CCC1(CC)CN(Cc2ccnn2C)C1 ZINC000297357967 398144353 /nfs/dbraw/zinc/14/43/53/398144353.db2.gz GNIIQYLYENZPNF-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN Cn1cccc1C(=O)CN1CCCC1(C)C ZINC000063063664 187324016 /nfs/dbraw/zinc/32/40/16/187324016.db2.gz CJPBWHVNUDGTOK-UHFFFAOYSA-N 0 1 220.316 2.082 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCC[C@H]3C2)no1 ZINC000152644867 178004882 /nfs/dbraw/zinc/00/48/82/178004882.db2.gz YWSULRURAAIEMN-QWRGUYRKSA-N 0 1 206.289 2.215 20 0 BEADMN CCCc1nc(C)c(CN(C)[C@H](C)CCO)o1 ZINC000649870543 398158025 /nfs/dbraw/zinc/15/80/25/398158025.db2.gz CHVMVNFRDXXRAB-SNVBAGLBSA-N 0 1 240.347 2.138 20 0 BEADMN Cc1cc(CNCc2ccc(C)s2)n(C)n1 ZINC000084244365 178027822 /nfs/dbraw/zinc/02/78/22/178027822.db2.gz QBEPYXIECVKZLN-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)ncn1 ZINC000291673107 178053328 /nfs/dbraw/zinc/05/33/28/178053328.db2.gz MLFJOILOQCSHFQ-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)ncn1 ZINC000291673107 178053331 /nfs/dbraw/zinc/05/33/31/178053331.db2.gz MLFJOILOQCSHFQ-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN FC1(F)C[C@@]12CC[N@@H+](CCc1cncs1)C2 ZINC000649909592 398182015 /nfs/dbraw/zinc/18/20/15/398182015.db2.gz PUJPEOLOHVUTII-SNVBAGLBSA-N 0 1 244.310 2.417 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C(C)(C)C2CC2)n[nH]1 ZINC000287812353 178056906 /nfs/dbraw/zinc/05/69/06/178056906.db2.gz BBVURKCGMKSRBJ-VIFPVBQESA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(Cc2nc(-c3cccs3)no2)[nH]n1 ZINC000128932861 178059929 /nfs/dbraw/zinc/05/99/29/178059929.db2.gz LQBFEEZUQBFNEQ-UHFFFAOYSA-N 0 1 246.295 2.420 20 0 BEADMN Cc1cc(Cc2nc(CCC(C)C)no2)[nH]n1 ZINC000268059561 178059938 /nfs/dbraw/zinc/05/99/38/178059938.db2.gz TUUQHAIWIOKZKN-UHFFFAOYSA-N 0 1 234.303 2.281 20 0 BEADMN CCC(CC)C(=O)NCCN1CC=C(C)CC1 ZINC000355296614 168337634 /nfs/dbraw/zinc/33/76/34/168337634.db2.gz HXDOPUGQBJTQES-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000380545966 398199503 /nfs/dbraw/zinc/19/95/03/398199503.db2.gz IKUOMMXKXHDTGS-NSHDSACASA-N 0 1 239.340 2.353 20 0 BEADMN CCN(Cc1cnn(C)c1)Cc1ccccc1 ZINC000072948736 398190677 /nfs/dbraw/zinc/19/06/77/398190677.db2.gz BEJBQNWRXBCLAR-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN Cc1cc(F)ccc1NC(=O)c1ncccc1O ZINC000037760592 178089293 /nfs/dbraw/zinc/08/92/93/178089293.db2.gz XKBJLIYCWNOPCV-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN C[C@@H](c1ccccc1)[C@@H](O)CN1CC[C@H](F)C1 ZINC000649940630 398191570 /nfs/dbraw/zinc/19/15/70/398191570.db2.gz RENSMGTYDJVZMF-UBHSHLNASA-N 0 1 237.318 2.195 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])nc1 ZINC000385965199 398193389 /nfs/dbraw/zinc/19/33/89/398193389.db2.gz LIMOMMXFRMNYGV-CQSZACIVSA-N 0 1 248.326 2.083 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H](C3CC3)C2)n[nH]1 ZINC000334260313 398194683 /nfs/dbraw/zinc/19/46/83/398194683.db2.gz WCLYWHZFMZVCKN-LLVKDONJSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](C)C1 ZINC000334260306 398194717 /nfs/dbraw/zinc/19/47/17/398194717.db2.gz RMSNEUCBHOUGCT-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@@H]2C(C)(C)C)o1 ZINC000334260286 398194831 /nfs/dbraw/zinc/19/48/31/398194831.db2.gz WAMKFIXFOLSZOU-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C(C)(C)C)o1 ZINC000334260286 398194832 /nfs/dbraw/zinc/19/48/32/398194832.db2.gz WAMKFIXFOLSZOU-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN CC/C=C/CCN[C@@H](C)c1nc(C)no1 ZINC000336748039 398196537 /nfs/dbraw/zinc/19/65/37/398196537.db2.gz CGYCOYBGZYUIFT-CYNONHLPSA-N 0 1 209.293 2.385 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1nccn1C ZINC000336748023 398196798 /nfs/dbraw/zinc/19/67/98/398196798.db2.gz XRZWBROMQWPDBL-MRVPVSSYSA-N 0 1 235.253 2.241 20 0 BEADMN C[C@H]1CC(CCNCc2cocn2)C[C@H](C)O1 ZINC000338473048 187327069 /nfs/dbraw/zinc/32/70/69/187327069.db2.gz HZHRJJBWPVUQMN-QWRGUYRKSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)CSCCCN1CC[C@](F)(CO)C1 ZINC000338628078 187327074 /nfs/dbraw/zinc/32/70/74/187327074.db2.gz UXAOSHTUKLAQKE-GFCCVEGCSA-N 0 1 249.395 2.172 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C[C@H]1F ZINC000649416289 398215930 /nfs/dbraw/zinc/21/59/30/398215930.db2.gz DLLYDNNILFMUNG-ZWNOBZJWSA-N 0 1 227.323 2.426 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000119200166 136220736 /nfs/dbraw/zinc/22/07/36/136220736.db2.gz WCKSXENHXGQFAJ-ATZCPNFKSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1cc(NC(=O)c2c[nH]nc2C2CC2)sn1 ZINC000188153710 178149452 /nfs/dbraw/zinc/14/94/52/178149452.db2.gz XIODKMFKWGFPCB-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CN(Cc1scnc1C1CC1)[C@@H]1CCOC1 ZINC000494981399 538927361 /nfs/dbraw/zinc/92/73/61/538927361.db2.gz SRWBOMMZOOMNIF-SNVBAGLBSA-N 0 1 238.356 2.241 20 0 BEADMN COC[C@H](C)N(C)Cc1scnc1C1CC1 ZINC000495159537 538927702 /nfs/dbraw/zinc/92/77/02/538927702.db2.gz URXBQRHSJDULLT-VIFPVBQESA-N 0 1 240.372 2.487 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CC2CCC2)n1 ZINC000339388973 187329708 /nfs/dbraw/zinc/32/97/08/187329708.db2.gz CEFJWAIVDXGTMU-SNVBAGLBSA-N 0 1 223.320 2.458 20 0 BEADMN CCNC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000273805912 538928290 /nfs/dbraw/zinc/92/82/90/538928290.db2.gz BWLWTWSHMRZRNI-AWEZNQCLSA-N 0 1 246.354 2.350 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cccnc1C ZINC000073349786 343986595 /nfs/dbraw/zinc/98/65/95/343986595.db2.gz QCJIAFNQSFNYGW-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN CC[C@H](CO)N[C@@H](C)c1nc(C)sc1C ZINC000020196170 538931151 /nfs/dbraw/zinc/93/11/51/538931151.db2.gz IQAQLTYHOCFMFS-OIBJUYFYSA-N 0 1 228.361 2.181 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]ncc2C)C[C@H](CC)O1 ZINC000421385471 192325238 /nfs/dbraw/zinc/32/52/38/192325238.db2.gz GMIGZEUGQAQZMN-TXEJJXNPSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1cnc(CNCCCC2(O)CCC2)s1 ZINC000421381795 192325307 /nfs/dbraw/zinc/32/53/07/192325307.db2.gz KKIOABFRIKLOSF-UHFFFAOYSA-N 0 1 240.372 2.236 20 0 BEADMN CCn1cc(CNCc2cc(C)nc(C)c2)cn1 ZINC000421392972 192327680 /nfs/dbraw/zinc/32/76/80/192327680.db2.gz YDIHWUPQHNXHBM-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000177912206 178204149 /nfs/dbraw/zinc/20/41/49/178204149.db2.gz VRPXKROZAPNDBK-GXSJLCMTSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000177912206 178204153 /nfs/dbraw/zinc/20/41/53/178204153.db2.gz VRPXKROZAPNDBK-GXSJLCMTSA-N 0 1 235.331 2.284 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000629876639 361751482 /nfs/dbraw/zinc/75/14/82/361751482.db2.gz KKMPZPMRKFREPN-JQSFKPKSSA-N 0 1 238.375 2.141 20 0 BEADMN CCC(CC)CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000340584862 168352789 /nfs/dbraw/zinc/35/27/89/168352789.db2.gz XVZKHQXSWZFEAP-CYBMUJFWSA-N 0 1 239.359 2.103 20 0 BEADMN COc1cc(CN2CC[C@@]23CCOC3)ccc1C ZINC000421404017 192330559 /nfs/dbraw/zinc/33/05/59/192330559.db2.gz OVJYTGROXCHWCE-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN Cc1sccc1CN1CC[C@@]12CCOC2 ZINC000421403187 192330676 /nfs/dbraw/zinc/33/06/76/192330676.db2.gz NNHNZVPAZHISNW-LBPRGKRZSA-N 0 1 223.341 2.421 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)cs1 ZINC000421406670 192332728 /nfs/dbraw/zinc/33/27/28/192332728.db2.gz UIAWPBDIVGCTLT-LBPRGKRZSA-N 0 1 223.341 2.421 20 0 BEADMN Cc1cc([C@@H](C)NCC[C@@H](C)F)no1 ZINC000308655327 178224063 /nfs/dbraw/zinc/22/40/63/178224063.db2.gz NUFBBFRFGAQBOU-VXNVDRBHSA-N 0 1 200.257 2.382 20 0 BEADMN Cc1cc([C@@H](C)NCCC(C)(F)F)nn1C ZINC000297459636 178225446 /nfs/dbraw/zinc/22/54/46/178225446.db2.gz XRLKVODENLAPIH-SECBINFHSA-N 0 1 231.290 2.424 20 0 BEADMN Cc1cc([C@@H](C)NCc2ccnn2C)c(C)o1 ZINC000044729741 178228921 /nfs/dbraw/zinc/22/89/21/178228921.db2.gz QZCQUQKYXZIUID-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@@H](C)NCc2cnnn2C)ccc1F ZINC000267754540 178229258 /nfs/dbraw/zinc/22/92/58/178229258.db2.gz MUKOICOFGZLMBL-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN CCC(CC)CNC(=O)[C@H](N)c1ccccc1 ZINC000083361158 168356970 /nfs/dbraw/zinc/35/69/70/168356970.db2.gz BZBCEXOABRROFG-CYBMUJFWSA-N 0 1 234.343 2.239 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)oc1C ZINC000282081033 178253468 /nfs/dbraw/zinc/25/34/68/178253468.db2.gz HPYYKTKCOKXVPI-WCFLWFBJSA-N 0 1 235.327 2.484 20 0 BEADMN Cc1cscc1NC(=O)CCc1cnc[nH]1 ZINC000280115353 538936758 /nfs/dbraw/zinc/93/67/58/538936758.db2.gz BATMURFBYWXYSP-UHFFFAOYSA-N 0 1 235.312 2.351 20 0 BEADMN Cc1cc([C@@H]2CCCN2Cc2[nH]ncc2C)no1 ZINC000365621228 178241552 /nfs/dbraw/zinc/24/15/52/178241552.db2.gz UDPRYTHQVVAEPX-ZDUSSCGKSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1cc([C@H](C)NCC2(C)OCCO2)oc1C ZINC000282429711 178246988 /nfs/dbraw/zinc/24/69/88/178246988.db2.gz YYEIXHIWAYVOHA-JTQLQIEISA-N 0 1 239.315 2.310 20 0 BEADMN Cc1cc([C@H](C)NCCC[C@H](C)CO)no1 ZINC000285272859 178247207 /nfs/dbraw/zinc/24/72/07/178247207.db2.gz QWRHFPJLMYENIS-ONGXEEELSA-N 0 1 226.320 2.042 20 0 BEADMN Cc1cc([C@H](C)NCC[C@@H](C)F)no1 ZINC000336655450 178248301 /nfs/dbraw/zinc/24/83/01/178248301.db2.gz NUFBBFRFGAQBOU-APPZFPTMSA-N 0 1 200.257 2.382 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccncc2)no1 ZINC000289462652 178248313 /nfs/dbraw/zinc/24/83/13/178248313.db2.gz WCVZHIHFECFQGN-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCOC2(C)C)no1 ZINC000296304363 178254623 /nfs/dbraw/zinc/25/46/23/178254623.db2.gz GAKAOIXDULCNGA-GXSJLCMTSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)no1 ZINC000368084991 178255402 /nfs/dbraw/zinc/25/54/02/178255402.db2.gz SFVLVLCSGKRIFA-UFGOTCBOSA-N 0 1 236.315 2.201 20 0 BEADMN C[C@@H]1CN(Cc2ccnn2C)C[C@@H](C)C1(F)F ZINC000625655278 398237079 /nfs/dbraw/zinc/23/70/79/398237079.db2.gz SVDYJANMKBBGIY-NXEZZACHSA-N 0 1 243.301 2.143 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[C@@H]2CCO)no1 ZINC000330493022 178257986 /nfs/dbraw/zinc/25/79/86/178257986.db2.gz LNFQGFOSPSIFQE-TUAOUCFPSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CSC[C@@H]2C)no1 ZINC000336770178 178260178 /nfs/dbraw/zinc/26/01/78/178260178.db2.gz WIWJRVIWGKXQNZ-ARENWVFISA-N 0 1 226.345 2.385 20 0 BEADMN Cc1c(CN2CCS[C@@H](C)[C@@H]2C)cnn1C ZINC000269015733 187334123 /nfs/dbraw/zinc/33/41/23/187334123.db2.gz OAPMBEMHBMRBHH-ONGXEEELSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1cc([C@H]2CCCN2CCCF)no1 ZINC000370615983 178266225 /nfs/dbraw/zinc/26/62/25/178266225.db2.gz MBVCNYKKMSCMKR-LLVKDONJSA-N 0 1 212.268 2.480 20 0 BEADMN CCc1nnc(NC(=O)C2(CC(C)C)CC2)[nH]1 ZINC000442640450 398240001 /nfs/dbraw/zinc/24/00/01/398240001.db2.gz WUGBJLUFMZGMIU-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C2(CC(C)C)CC2)n1 ZINC000442640450 398240004 /nfs/dbraw/zinc/24/00/04/398240004.db2.gz WUGBJLUFMZGMIU-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ncccn1 ZINC000302692988 178277117 /nfs/dbraw/zinc/27/71/17/178277117.db2.gz FOHAQECFUVCDBM-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000576524437 365618043 /nfs/dbraw/zinc/61/80/43/365618043.db2.gz YYFIUNIDVKZIIY-QMMMGPOBSA-N 0 1 239.237 2.268 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CCCCCC1 ZINC000180406145 259307559 /nfs/dbraw/zinc/30/75/59/259307559.db2.gz CWQRJKINAMFROI-UHFFFAOYSA-N 0 1 220.320 2.058 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000629970391 361818850 /nfs/dbraw/zinc/81/88/50/361818850.db2.gz KVTDJMFLSRSPHK-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](NCCN(C)c1ccccc1)c1ncc[nH]1 ZINC000285638106 538941894 /nfs/dbraw/zinc/94/18/94/538941894.db2.gz LQCFKPQQGRNKKZ-LBPRGKRZSA-N 0 1 244.342 2.197 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc[nH]c1 ZINC000360462448 178300939 /nfs/dbraw/zinc/30/09/39/178300939.db2.gz ZEWSDBLREUFJBV-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cc1n[nH]c(C)c1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444281 398246669 /nfs/dbraw/zinc/24/66/69/398246669.db2.gz LIVLIUSCQFVJPI-UHFFFAOYSA-N 0 1 230.193 2.435 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@H]1CCCN1C ZINC000457243289 398253197 /nfs/dbraw/zinc/25/31/97/398253197.db2.gz GKSDOMLNPQJOSK-YRGRVCCFSA-N 0 1 238.375 2.166 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)C[C@H]1CC ZINC000576697044 365659193 /nfs/dbraw/zinc/65/91/93/365659193.db2.gz BUJPSASMWXDUEY-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@H](C)[C@H](CNCc1nccn1CC)OC ZINC000381442246 398257640 /nfs/dbraw/zinc/25/76/40/398257640.db2.gz YRISSIUZHNOBAA-RYUDHWBXSA-N 0 1 239.363 2.054 20 0 BEADMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C)n2)o1 ZINC000181875812 178340467 /nfs/dbraw/zinc/34/04/67/178340467.db2.gz CHXVPNJSIHFZEY-UHFFFAOYSA-N 0 1 248.286 2.358 20 0 BEADMN Cc1ccc(-c2n[nH]cc2CN[C@H](C)CF)o1 ZINC000342206141 178331241 /nfs/dbraw/zinc/33/12/41/178331241.db2.gz RGPNWGKWALGVNU-MRVPVSSYSA-N 0 1 237.278 2.426 20 0 BEADMN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1ncn(C)n1 ZINC000391847857 398262005 /nfs/dbraw/zinc/26/20/05/398262005.db2.gz PMUWQOLBRJJMQW-DRZSPHRISA-N 0 1 248.374 2.435 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000173370425 538948445 /nfs/dbraw/zinc/94/84/45/538948445.db2.gz IXAQWIQDLAFOMS-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@H]1CN(Cc2cncn2CC)CCS1 ZINC000417766166 398264776 /nfs/dbraw/zinc/26/47/76/398264776.db2.gz AABCTDLPLGDXLQ-LBPRGKRZSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCC[C@H](C)C2)[nH]1 ZINC000334559655 136231304 /nfs/dbraw/zinc/23/13/04/136231304.db2.gz BCMNHNPGZZMLIY-VHSXEESVSA-N 0 1 222.336 2.296 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C)[C@H]2C)n[nH]1 ZINC000177065132 538951206 /nfs/dbraw/zinc/95/12/06/538951206.db2.gz AYPBTFWNWBVQDL-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)C1CCC1 ZINC000335084490 136232708 /nfs/dbraw/zinc/23/27/08/136232708.db2.gz CBIFNAQUJYOHLY-UHFFFAOYSA-N 0 1 235.331 2.466 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccn[nH]1 ZINC000334745023 136232479 /nfs/dbraw/zinc/23/24/79/136232479.db2.gz VCIUNZZRGFRDRZ-ZYHUDNBSSA-N 0 1 235.331 2.162 20 0 BEADMN CO[C@@]1(C)C[C@@H](N(C)Cc2cncnc2)C1(C)C ZINC000180251325 538957135 /nfs/dbraw/zinc/95/71/35/538957135.db2.gz ULVPPWPGVWSTSS-OCCSQVGLSA-N 0 1 249.358 2.112 20 0 BEADMN NC(=O)c1csc(=N[C@H]2CCC[C@H](F)C2)[nH]1 ZINC000335381567 136234718 /nfs/dbraw/zinc/23/47/18/136234718.db2.gz WJFIHTDWNGXTJZ-BQBZGAKWSA-N 0 1 243.307 2.141 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1Cc1nccc(N)n1 ZINC000269730086 187335025 /nfs/dbraw/zinc/33/50/25/187335025.db2.gz XQKVSKDSFQIBFQ-JTQLQIEISA-N 0 1 234.347 2.069 20 0 BEADMN CC(C)OCCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650505807 398274209 /nfs/dbraw/zinc/27/42/09/398274209.db2.gz QRCOLTXCRVTAEY-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN Fc1cnccc1CNCCOC1CCCC1 ZINC000449103850 398274226 /nfs/dbraw/zinc/27/42/26/398274226.db2.gz SCDACDSLQOZUFN-UHFFFAOYSA-N 0 1 238.306 2.270 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(CC2CC2)c1 ZINC000181145373 538959872 /nfs/dbraw/zinc/95/98/72/538959872.db2.gz PYLQFCAEIZPJND-SECBINFHSA-N 0 1 245.330 2.498 20 0 BEADMN Cc1[nH]ncc1[C@H](C)Nc1cnn(CC2CC2)c1 ZINC000181145399 538960013 /nfs/dbraw/zinc/96/00/13/538960013.db2.gz PYLQFCAEIZPJND-VIFPVBQESA-N 0 1 245.330 2.498 20 0 BEADMN COc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC000650500981 398274880 /nfs/dbraw/zinc/27/48/80/398274880.db2.gz IAGMYKSMWCGFHD-GWCFXTLKSA-N 0 1 249.310 2.133 20 0 BEADMN C[C@@H](CC(F)(F)F)NCc1ccc(CO)o1 ZINC000231750403 342693635 /nfs/dbraw/zinc/69/36/35/342693635.db2.gz DUFFNKFWAXEVAF-ZETCQYMHSA-N 0 1 237.221 2.202 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000649481289 398278880 /nfs/dbraw/zinc/27/88/80/398278880.db2.gz BXPGGOCUWKXLMY-LLVKDONJSA-N 0 1 219.332 2.061 20 0 BEADMN C/C=C/CNCc1cc(C(=O)OC)oc1C ZINC000600203971 342701372 /nfs/dbraw/zinc/70/13/72/342701372.db2.gz HASFKMNENANDSJ-SNAWJCMRSA-N 0 1 223.272 2.040 20 0 BEADMN CCN(CC)Cc1cc2n(n1)CCCC2 ZINC000649479599 398277528 /nfs/dbraw/zinc/27/75/28/398277528.db2.gz BFTUQJNTFMDNKY-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN Cc1ccsc1CNCc1ccno1 ZINC000231884136 342741302 /nfs/dbraw/zinc/74/13/02/342741302.db2.gz FPURWMMOYGOGMR-UHFFFAOYSA-N 0 1 208.286 2.334 20 0 BEADMN CC1CCN(Cc2cc3n(n2)CCCC3)CC1 ZINC000649481752 398279631 /nfs/dbraw/zinc/27/96/31/398279631.db2.gz RIHUDFMXBOZLOX-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cc3n(n2)CCC3)C1 ZINC000649481652 398279835 /nfs/dbraw/zinc/27/98/35/398279835.db2.gz OSIRIBAZZPNMBY-RYUDHWBXSA-N 0 1 233.359 2.307 20 0 BEADMN CCC(CC)NC(=O)c1ccc(CN(C)C)nc1 ZINC000339232097 168385549 /nfs/dbraw/zinc/38/55/49/168385549.db2.gz OFDVCTADJRFENM-UHFFFAOYSA-N 0 1 249.358 2.062 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C2CCC2)cc1O ZINC000629989079 361873277 /nfs/dbraw/zinc/87/32/77/361873277.db2.gz MOFTXJBPJXETAV-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN COC(C)(C)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000231032324 488179927 /nfs/dbraw/zinc/17/99/27/488179927.db2.gz GVLKAQQKCSZRHJ-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CCc1cccc(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000346358173 398282934 /nfs/dbraw/zinc/28/29/34/398282934.db2.gz JVRHLCOMHLXDTB-KGLIPLIRSA-N 0 1 237.318 2.154 20 0 BEADMN CCOC1CCN([C@H](C)c2cnccn2)CC1 ZINC000184468357 538968597 /nfs/dbraw/zinc/96/85/97/538968597.db2.gz QATZJIKOPOAPPS-LLVKDONJSA-N 0 1 235.331 2.039 20 0 BEADMN CN(Cc1cc2n(n1)CCCC2)CC1CC1 ZINC000649489784 398286705 /nfs/dbraw/zinc/28/67/05/398286705.db2.gz HFXXJQZWURVBPO-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN COC(=O)c1oc(CN2[C@H](C)C[C@H]2C)cc1C ZINC000619285214 398286878 /nfs/dbraw/zinc/28/68/78/398286878.db2.gz CZRKVIMUKNGSDA-NXEZZACHSA-N 0 1 237.299 2.357 20 0 BEADMN COC(=O)c1oc(CN2[C@H](C)C[C@@H]2C)cc1C ZINC000619285212 398287016 /nfs/dbraw/zinc/28/70/16/398287016.db2.gz CZRKVIMUKNGSDA-AOOOYVTPSA-N 0 1 237.299 2.357 20 0 BEADMN CCCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185829802 538971469 /nfs/dbraw/zinc/97/14/69/538971469.db2.gz PSNUZMVXJAGUFR-UHFFFAOYSA-N 0 1 248.374 2.132 20 0 BEADMN C[C@@]1(CN2CC(C)(O)C2)C[C@H]1c1ccccc1 ZINC000639254161 398285632 /nfs/dbraw/zinc/28/56/32/398285632.db2.gz ZVNAUDBZWSZFLC-KBPBESRZSA-N 0 1 231.339 2.247 20 0 BEADMN Cc1cc(O)cc(NC(=O)CN(C)C2CCC2)c1 ZINC000630028028 361905072 /nfs/dbraw/zinc/90/50/72/361905072.db2.gz MEKKERVXZLKLMK-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000032013862 342797126 /nfs/dbraw/zinc/79/71/26/342797126.db2.gz GFVXIYLPEMLCKP-JTQLQIEISA-N 0 1 221.300 2.154 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000032015458 342797139 /nfs/dbraw/zinc/79/71/39/342797139.db2.gz JVLWYHYTBGBQJO-MRVPVSSYSA-N 0 1 227.691 2.245 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC000188385494 538978494 /nfs/dbraw/zinc/97/84/94/538978494.db2.gz IJUQKBXFSJQKSM-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H](C)[C@@H]1C ZINC000335464534 398289519 /nfs/dbraw/zinc/28/95/19/398289519.db2.gz VFWTYPGISNJNEN-QWHCGFSZSA-N 0 1 234.343 2.042 20 0 BEADMN Cc1cnc(CCN2CCO[C@@H](C)[C@H]2C)c(C)c1 ZINC000335464622 398289569 /nfs/dbraw/zinc/28/95/69/398289569.db2.gz XMUDOUSIXMARNC-KGLIPLIRSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccoc2)[nH]n1 ZINC000380150475 538986423 /nfs/dbraw/zinc/98/64/23/538986423.db2.gz AMHQOZHMXHKZSE-SECBINFHSA-N 0 1 205.261 2.162 20 0 BEADMN Cc1nnc([C@H](C)NCCC2CCC2)o1 ZINC000380333961 538988891 /nfs/dbraw/zinc/98/88/91/538988891.db2.gz PHHLLYVSVDRPDU-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN CCOC(=O)c1nc2c(cccc2Cl)[nH]1 ZINC000071009277 361928353 /nfs/dbraw/zinc/92/83/53/361928353.db2.gz KMYZPNYSALMXOR-UHFFFAOYSA-N 0 1 224.647 2.393 20 0 BEADMN Cc1occc1C[N@@H+](C)CCc1cncc(C)n1 ZINC000649495581 398293403 /nfs/dbraw/zinc/29/34/03/398293403.db2.gz XKAOJCSPRNSSJE-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000189439331 538983108 /nfs/dbraw/zinc/98/31/08/538983108.db2.gz HSAQIBPBUMGZAY-AAEUAGOBSA-N 0 1 247.342 2.133 20 0 BEADMN CCc1noc(CN[C@H]2CCC[C@H]2CC)n1 ZINC000381606304 539004828 /nfs/dbraw/zinc/00/48/28/539004828.db2.gz QGOGTWVBAZVTON-ZJUUUORDSA-N 0 1 223.320 2.300 20 0 BEADMN C[C@H]1CC2(CCC2)CN1C(=O)c1coc(CN)c1 ZINC000335629205 136241133 /nfs/dbraw/zinc/24/11/33/136241133.db2.gz YJWHJZPQZRANIU-JTQLQIEISA-N 0 1 248.326 2.143 20 0 BEADMN CCc1noc(CN[C@H]2CCCC2(C)C)n1 ZINC000381742885 539006303 /nfs/dbraw/zinc/00/63/03/539006303.db2.gz PKMFOWAHKDJGAC-VIFPVBQESA-N 0 1 223.320 2.300 20 0 BEADMN CCc1noc(CN[C@@H]2CCCC2(C)C)n1 ZINC000381742884 539006680 /nfs/dbraw/zinc/00/66/80/539006680.db2.gz PKMFOWAHKDJGAC-SECBINFHSA-N 0 1 223.320 2.300 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC000193809902 539007771 /nfs/dbraw/zinc/00/77/71/539007771.db2.gz SKAXGMBKNFXYEQ-WOPDTQHZSA-N 0 1 249.358 2.283 20 0 BEADMN CCCN(CC)Cc1cc2n(n1)CCCC2 ZINC000649499372 398295254 /nfs/dbraw/zinc/29/52/54/398295254.db2.gz WMGMZSMZBVADAF-UHFFFAOYSA-N 0 1 221.348 2.451 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnc(C)s2)[nH]n1 ZINC000381034110 538994309 /nfs/dbraw/zinc/99/43/09/538994309.db2.gz AYDUOHGYGISQFD-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN CC[C@@]1(NCc2nc(C)c(C)s2)CCOC1 ZINC000381292256 538997802 /nfs/dbraw/zinc/99/78/02/538997802.db2.gz DQFXMIJMMFBJFL-GFCCVEGCSA-N 0 1 240.372 2.419 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCCO2)cs1 ZINC000381399464 538999849 /nfs/dbraw/zinc/99/98/49/538999849.db2.gz PSKYKACXADQHRI-BXKDBHETSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2cncnc2OC)C1 ZINC000648008953 398299535 /nfs/dbraw/zinc/29/95/35/398299535.db2.gz HDVGQEWPKIAQMU-AWEZNQCLSA-N 0 1 249.358 2.497 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000390269538 539021022 /nfs/dbraw/zinc/02/10/22/539021022.db2.gz RFDQMQZHSKSMFD-LDYMZIIASA-N 0 1 223.247 2.046 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000390269538 539021023 /nfs/dbraw/zinc/02/10/23/539021023.db2.gz RFDQMQZHSKSMFD-LDYMZIIASA-N 0 1 223.247 2.046 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2c[nH]nc2C)s1 ZINC000390422160 539021682 /nfs/dbraw/zinc/02/16/82/539021682.db2.gz KKKZBSGGFCZMCM-ZETCQYMHSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000036885916 398296455 /nfs/dbraw/zinc/29/64/55/398296455.db2.gz BQAHPMHUKBBQHE-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)CC1CCCCC1 ZINC000036885997 398296535 /nfs/dbraw/zinc/29/65/35/398296535.db2.gz XVKZCLUWTKDWHP-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CS[C@@H](C)C2)s1 ZINC000391838003 398296581 /nfs/dbraw/zinc/29/65/81/398296581.db2.gz UETAIDXGPXBIBA-ZKWXMUAHSA-N 0 1 243.401 2.391 20 0 BEADMN COC1(C[C@@H](C)NCc2cocn2)CCC1 ZINC000390523953 539026041 /nfs/dbraw/zinc/02/60/41/539026041.db2.gz GDRSEVCGHKQSEF-SNVBAGLBSA-N 0 1 224.304 2.112 20 0 BEADMN CCc1nnc(CN[C@H]2CS[C@@H](C)C2)s1 ZINC000391851850 398297073 /nfs/dbraw/zinc/29/70/73/398297073.db2.gz QXFMCVHHTFMGKC-JGVFFNPUSA-N 0 1 243.401 2.084 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)c2cccc(C)c2)n[nH]1 ZINC000335633698 136241537 /nfs/dbraw/zinc/24/15/37/136241537.db2.gz YLDFQSBXKITDIQ-XYZCENFISA-N 0 1 249.339 2.290 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@]2(C)CCCO2)s1 ZINC000309737541 342839834 /nfs/dbraw/zinc/83/98/34/342839834.db2.gz CQJCRKPBZRINKK-PWSUYJOCSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ncn(C)n1 ZINC000391945222 398298313 /nfs/dbraw/zinc/29/83/13/398298313.db2.gz VSYSNXYYAUFNFA-GRYCIOLGSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1ncn(C)n1 ZINC000391945223 398298413 /nfs/dbraw/zinc/29/84/13/398298413.db2.gz VSYSNXYYAUFNFA-IJLUTSLNSA-N 0 1 236.363 2.435 20 0 BEADMN Cc1nc([C@@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000389743148 539017350 /nfs/dbraw/zinc/01/73/50/539017350.db2.gz WLGSBHHQJHXMLI-SCSAIBSYSA-N 0 1 243.723 2.396 20 0 BEADMN CC[C@]1(C)CCCN(Cc2cncnc2OC)C1 ZINC000648008954 398299782 /nfs/dbraw/zinc/29/97/82/398299782.db2.gz HDVGQEWPKIAQMU-CQSZACIVSA-N 0 1 249.358 2.497 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCc1ccccc1 ZINC000092940228 398307732 /nfs/dbraw/zinc/30/77/32/398307732.db2.gz MYMNNABFFJZYLD-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092940463 398308101 /nfs/dbraw/zinc/30/81/01/398308101.db2.gz JKWUIBGCSCDXHC-AAEUAGOBSA-N 0 1 233.311 2.290 20 0 BEADMN Cc1csc(CNCCc2cscn2)n1 ZINC000132929107 398308792 /nfs/dbraw/zinc/30/87/92/398308792.db2.gz YUFXMFDMWBVCTL-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN c1[nH]nnc1CSCc1ccccc1 ZINC000352152968 398315810 /nfs/dbraw/zinc/31/58/10/398315810.db2.gz KFPPYXBCXNVXFF-UHFFFAOYSA-N 0 1 205.286 2.238 20 0 BEADMN FC1(F)CC[C@H](CSc2cn[nH]n2)C1 ZINC000336255242 398317595 /nfs/dbraw/zinc/31/75/95/398317595.db2.gz FCDZJAZROZWFTB-LURJTMIESA-N 0 1 219.260 2.332 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC2CCC2)C1 ZINC000232741860 342879363 /nfs/dbraw/zinc/87/93/63/342879363.db2.gz KVUNRSMFTJCDRT-ZDUSSCGKSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccncc2)C1 ZINC000232785385 342879759 /nfs/dbraw/zinc/87/97/59/342879759.db2.gz QKVRYEDUKMFAEB-CQSZACIVSA-N 0 1 248.326 2.014 20 0 BEADMN Cc1cnc(C[N@H+]2CCCC23CCC3)nc1 ZINC000336475566 398319331 /nfs/dbraw/zinc/31/93/31/398319331.db2.gz CPJRTZYUVFPPDM-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN Cc1cnc(CN2CCCC23CCC3)nc1 ZINC000336475566 398319332 /nfs/dbraw/zinc/31/93/32/398319332.db2.gz CPJRTZYUVFPPDM-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000336481431 398320136 /nfs/dbraw/zinc/32/01/36/398320136.db2.gz CKRAZZJGVJPLAN-LBPRGKRZSA-N 0 1 241.237 2.105 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035296916 342886728 /nfs/dbraw/zinc/88/67/28/342886728.db2.gz DAKBWOYSRUNMSN-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](C)CCNC(=O)CN(CC)C1CC1 ZINC000617638435 398313946 /nfs/dbraw/zinc/31/39/46/398313946.db2.gz NLCHVOGWOUGOQA-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])Cc1cccs1 ZINC000035717861 342892013 /nfs/dbraw/zinc/89/20/13/342892013.db2.gz NZNHWWARYKVPTI-UHFFFAOYSA-N 0 1 227.329 2.435 20 0 BEADMN Cc1ccc2c(c1)CN(Cc1cnc[nH]1)C2 ZINC000336085346 398314984 /nfs/dbraw/zinc/31/49/84/398314984.db2.gz WGWKYOCJJQNZFA-UHFFFAOYSA-N 0 1 213.284 2.234 20 0 BEADMN COC[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000036914407 342913748 /nfs/dbraw/zinc/91/37/48/342913748.db2.gz AJPYPTMYTHHTLS-JGVFFNPUSA-N 0 1 214.334 2.137 20 0 BEADMN CCn1[nH]c2c(c1=O)C[C@H](C(C)C)CC2 ZINC000634584770 342901167 /nfs/dbraw/zinc/90/11/67/342901167.db2.gz MRGSDJWHFRNJHM-NXEZZACHSA-N 0 1 208.305 2.277 20 0 BEADMN O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000521881019 259328372 /nfs/dbraw/zinc/32/83/72/259328372.db2.gz NTKFVTYULNYKBK-KWCYVHTRSA-N 0 1 249.358 2.098 20 0 BEADMN COc1cncc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000625211652 342914453 /nfs/dbraw/zinc/91/44/53/342914453.db2.gz ZRJZBQAUURDUIN-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COC(=O)[C@H](C)N1CC(C)(C)CC(C)(C)C1 ZINC000342341825 536628845 /nfs/dbraw/zinc/62/88/45/536628845.db2.gz UQCFUEFAMOHSFF-JTQLQIEISA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H](c1ccccc1F)N1CCc2n[nH]nc2C1 ZINC000351610429 136248257 /nfs/dbraw/zinc/24/82/57/136248257.db2.gz VWTJNXJGAZZGLM-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH]n1 ZINC000133812745 398327858 /nfs/dbraw/zinc/32/78/58/398327858.db2.gz MRSMGRWYDADUOA-SUZMYJTESA-N 0 1 249.358 2.202 20 0 BEADMN CC1(C)CCN(CC(=O)Nc2ccccc2)C1 ZINC000174257291 346879964 /nfs/dbraw/zinc/87/99/64/346879964.db2.gz OHZDHKSLLYWHQB-UHFFFAOYSA-N 0 1 232.327 2.357 20 0 BEADMN CCc1ccccc1-n1[nH]c(CCOC)cc1=O ZINC000634588949 342934922 /nfs/dbraw/zinc/93/49/22/342934922.db2.gz JYFFPCUVEVGEAK-UHFFFAOYSA-N 0 1 246.310 2.378 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@@H]2C)[nH]c1C ZINC000602648843 349658435 /nfs/dbraw/zinc/65/84/35/349658435.db2.gz OCGJMHBFDWEICE-DTORHVGOSA-N 0 1 236.315 2.092 20 0 BEADMN CCC[C@@H](CN(CC(=O)OC)[C@@H](C)CC)OC ZINC000602647475 349658566 /nfs/dbraw/zinc/65/85/66/349658566.db2.gz KOSZYDYTVWWPRW-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1ccsc1CNCc1cncnc1 ZINC000082394600 398337387 /nfs/dbraw/zinc/33/73/87/398337387.db2.gz ZYLKWAQVTZPDTB-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN C[C@H](CCN1CCOCC1)OCc1ccccc1 ZINC000354852327 398330778 /nfs/dbraw/zinc/33/07/78/398330778.db2.gz GNNMQJMZXONJEE-CQSZACIVSA-N 0 1 249.354 2.314 20 0 BEADMN Cc1nc([C@H]2CCCCN2CC[C@@H](C)F)n[nH]1 ZINC000351729262 136250296 /nfs/dbraw/zinc/25/02/96/136250296.db2.gz FBUWGSQLVBYYKQ-MWLCHTKSSA-N 0 1 240.326 2.388 20 0 BEADMN CS[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC000602678980 349671643 /nfs/dbraw/zinc/67/16/43/349671643.db2.gz HLJGQMHPMKQMAM-VIFPVBQESA-N 0 1 228.386 2.389 20 0 BEADMN CC(C)[C@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000144276595 398344071 /nfs/dbraw/zinc/34/40/71/398344071.db2.gz RRNZJRPFUHAGMM-JTQLQIEISA-N 0 1 245.326 2.266 20 0 BEADMN CC(C)C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635660757 398344348 /nfs/dbraw/zinc/34/43/48/398344348.db2.gz CMJYMNUPINEYDJ-GHMZBOCLSA-N 0 1 247.342 2.066 20 0 BEADMN CCCN1N=C(c2ccc(OCC)cc2)CC1=O ZINC000634592282 342946059 /nfs/dbraw/zinc/94/60/59/342946059.db2.gz DWCFRLQDSBCRIQ-UHFFFAOYSA-N 0 1 246.310 2.432 20 0 BEADMN C[C@@H](F)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351760626 136252734 /nfs/dbraw/zinc/25/27/34/136252734.db2.gz VIWICWLQVCUJRO-NXEZZACHSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@@H](F)CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000351760626 136252735 /nfs/dbraw/zinc/25/27/35/136252735.db2.gz VIWICWLQVCUJRO-NXEZZACHSA-N 0 1 211.284 2.295 20 0 BEADMN COc1cccc(C2=NN(C(C)C)C(=O)[C@H]2C)c1 ZINC000634594633 342956246 /nfs/dbraw/zinc/95/62/46/342956246.db2.gz BQRQMGOUPIDCCU-JTQLQIEISA-N 0 1 246.310 2.286 20 0 BEADMN Cc1noc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000075769198 344017041 /nfs/dbraw/zinc/01/70/41/344017041.db2.gz OZNCCZGSTJHKGK-MNOVXSKESA-N 0 1 221.304 2.143 20 0 BEADMN CC(=O)Nc1cccc(NCc2[nH]ncc2C)c1 ZINC000352830954 187206441 /nfs/dbraw/zinc/20/64/41/187206441.db2.gz BIWRMDNQZKOUEJ-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCCCF ZINC000304392204 259335052 /nfs/dbraw/zinc/33/50/52/259335052.db2.gz MSWJMRMPDVHRNM-UTUOFQBUSA-N 0 1 243.322 2.311 20 0 BEADMN C/C=C\CNCc1ccc(C#N)cc1F ZINC000394993311 344019432 /nfs/dbraw/zinc/01/94/32/344019432.db2.gz CSKWRXBHOCOBAK-IHWYPQMZSA-N 0 1 204.248 2.363 20 0 BEADMN CCOC(=O)c1coc(CN[C@@H]2CC2(C)C)c1 ZINC000354157321 187210203 /nfs/dbraw/zinc/21/02/03/187210203.db2.gz HFFNCNJHGMSFMW-LLVKDONJSA-N 0 1 237.299 2.344 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@H](C)C2CC2)[nH]1 ZINC000634597384 342973624 /nfs/dbraw/zinc/97/36/24/342973624.db2.gz IPFRGFQTKTUESQ-DTWKUNHWSA-N 0 1 208.305 2.419 20 0 BEADMN Fc1cccc(F)c1CNC[C@@H]1CCCO1 ZINC000019963405 342965155 /nfs/dbraw/zinc/96/51/55/342965155.db2.gz HLBXXEITEKXPOV-VIFPVBQESA-N 0 1 227.254 2.233 20 0 BEADMN CCc1cc(=O)n(Cc2cc(F)ccc2F)[nH]1 ZINC000634596818 342966598 /nfs/dbraw/zinc/96/65/98/342966598.db2.gz SCHOGRQPPSPLMZ-UHFFFAOYSA-N 0 1 238.237 2.463 20 0 BEADMN Cc1ncc(C[N@@H+](C)CCC2CCOCC2)cn1 ZINC000351868922 136258722 /nfs/dbraw/zinc/25/87/22/136258722.db2.gz GUFHPWKJXVAXPV-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CCN(CC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602765668 349721836 /nfs/dbraw/zinc/72/18/36/349721836.db2.gz FHMGJQVFQXFHIN-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN COC(=O)c1coc([C@H](C)N(C)CC(C)C)n1 ZINC000602769217 349723918 /nfs/dbraw/zinc/72/39/18/349723918.db2.gz OHGJPJRNYHHISX-VIFPVBQESA-N 0 1 240.303 2.110 20 0 BEADMN c1csc(-c2noc(CNCC3CC3)n2)c1 ZINC000036884495 342993215 /nfs/dbraw/zinc/99/32/15/342993215.db2.gz RODFQFCSMOZXNZ-UHFFFAOYSA-N 0 1 235.312 2.298 20 0 BEADMN Cc1ccnc(N2N=C3[C@H](C)CC[C@H]3C2=O)c1 ZINC000634600477 342993343 /nfs/dbraw/zinc/99/33/43/342993343.db2.gz IYDVBZWYOSZZRJ-NXEZZACHSA-N 0 1 229.283 2.139 20 0 BEADMN CCCCC1=NN(C[C@@H]2CCCO2)C(=O)[C@H]1C ZINC000634598008 342979979 /nfs/dbraw/zinc/97/99/79/342979979.db2.gz BHZJFQSCPVZDCH-QWRGUYRKSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C[C@@H]2CCCO2)c(=O)c1C ZINC000634598008 342979982 /nfs/dbraw/zinc/97/99/82/342979982.db2.gz BHZJFQSCPVZDCH-QWRGUYRKSA-N 0 1 238.331 2.190 20 0 BEADMN CC[C@@H](C)CNC(=O)c1ccc(F)cc1O ZINC000233859096 259337152 /nfs/dbraw/zinc/33/71/52/259337152.db2.gz BISKIYRPOMPGAP-MRVPVSSYSA-N 0 1 225.263 2.307 20 0 BEADMN CCn1nccc1CN1CCC(SC)CC1 ZINC000602725666 349714995 /nfs/dbraw/zinc/71/49/95/349714995.db2.gz LMFUGFTYLVVXEK-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN CSC1CCN(Cc2nccnc2C)CC1 ZINC000602725584 349715065 /nfs/dbraw/zinc/71/50/65/349715065.db2.gz HOVYBKFJZKGWLG-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CCCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000335902222 136259514 /nfs/dbraw/zinc/25/95/14/136259514.db2.gz VROSUXAFCIQRFA-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCOC(=O)c1ccc(CNCC(C)(C)F)[nH]1 ZINC000602727572 349716696 /nfs/dbraw/zinc/71/66/96/349716696.db2.gz UAPPNGGPSCYRNI-UHFFFAOYSA-N 0 1 242.294 2.029 20 0 BEADMN COCCc1cc(=O)n([C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000634599165 342987196 /nfs/dbraw/zinc/98/71/96/342987196.db2.gz BXUZMVOBAHXLSF-ZYHUDNBSSA-N 0 1 238.331 2.190 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)CO)c(Cl)c1 ZINC000235136879 342988128 /nfs/dbraw/zinc/98/81/28/342988128.db2.gz RJJYOXDCYOHDJA-JTQLQIEISA-N 0 1 227.735 2.461 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1CCc1ccncc1 ZINC000634599753 342989060 /nfs/dbraw/zinc/98/90/60/342989060.db2.gz PHDJNEJGSKJNOX-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN Cc1cccc(N2N=C3CCCC[C@@H]3C2=O)n1 ZINC000634613264 343010300 /nfs/dbraw/zinc/01/03/00/343010300.db2.gz UEJJQXXSJHXPHK-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN CCc1c(C)[nH]n(-c2ccncc2C)c1=O ZINC000634605956 343001044 /nfs/dbraw/zinc/00/10/44/343001044.db2.gz CHALJFJLVUNTEJ-JTQLQIEISA-N 0 1 217.272 2.139 20 0 BEADMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1C ZINC000634608858 343003420 /nfs/dbraw/zinc/00/34/20/343003420.db2.gz ONJKCOYPRNYUIZ-ZCFIWIBFSA-N 0 1 223.663 2.094 20 0 BEADMN O=c1c2c([nH]n1Cc1ccccc1F)CCC2 ZINC000634607692 343003694 /nfs/dbraw/zinc/00/36/94/343003694.db2.gz FPVHNGJZEJAEBY-JTQLQIEISA-N 0 1 232.258 2.324 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c21 ZINC000634608793 343004604 /nfs/dbraw/zinc/00/46/04/343004604.db2.gz MOBUBLBYKVKXOV-HQJQHLMTSA-N 0 1 249.701 2.484 20 0 BEADMN CCc1[nH]n(-c2ccncc2Cl)c(=O)c1C ZINC000634608656 343004689 /nfs/dbraw/zinc/00/46/89/343004689.db2.gz IXTUDFLZNJOOOA-ZETCQYMHSA-N 0 1 237.690 2.484 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c21 ZINC000634608792 343004708 /nfs/dbraw/zinc/00/47/08/343004708.db2.gz MOBUBLBYKVKXOV-CPCISQLKSA-N 0 1 249.701 2.484 20 0 BEADMN CCN(C#N)CCN1CCCc2ccccc2C1 ZINC000602776477 349729301 /nfs/dbraw/zinc/72/93/01/349729301.db2.gz SFBBSBYENOJAPG-UHFFFAOYSA-N 0 1 243.354 2.238 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)Cc1ccccc1C ZINC000272844718 187336735 /nfs/dbraw/zinc/33/67/35/187336735.db2.gz ULQWYYFTOVDXKN-LBPRGKRZSA-N 0 1 207.317 2.462 20 0 BEADMN CCN(C#N)CCN(C)[C@H](C)c1ccccc1 ZINC000602764401 349734513 /nfs/dbraw/zinc/73/45/13/349734513.db2.gz BJNSIDJOHFKFLY-CYBMUJFWSA-N 0 1 231.343 2.482 20 0 BEADMN CCN(C#N)CCNC1(c2ccc(F)cc2)CC1 ZINC000602793606 349735526 /nfs/dbraw/zinc/73/55/26/349735526.db2.gz YRLMHZXPFLHPII-UHFFFAOYSA-N 0 1 247.317 2.207 20 0 BEADMN C[C@@H]1CN(Cc2cncn2C)C[C@@H](C)C1(F)F ZINC000625651373 344023844 /nfs/dbraw/zinc/02/38/44/344023844.db2.gz SDRYUWLGNBZAIU-NXEZZACHSA-N 0 1 243.301 2.143 20 0 BEADMN CCN(C#N)CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000602821510 349761705 /nfs/dbraw/zinc/76/17/05/349761705.db2.gz NYRYEGIIXIEQOZ-ZJUUUORDSA-N 0 1 249.280 2.062 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC(=O)[O-])CC1(C)C ZINC000308852756 259340418 /nfs/dbraw/zinc/34/04/18/259340418.db2.gz OYTGWLUUNWZJOY-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CC[C@H]3C)ccn1 ZINC000634618714 343017568 /nfs/dbraw/zinc/01/75/68/343017568.db2.gz BERWUWGENDWAMB-LDYMZIIASA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CC[C@@H]3C)ccn1 ZINC000634618713 343017598 /nfs/dbraw/zinc/01/75/98/343017598.db2.gz BERWUWGENDWAMB-KWQFWETISA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(-n2[nH]c(C3CCC3)cc2=O)ccn1 ZINC000634619351 343018532 /nfs/dbraw/zinc/01/85/32/343018532.db2.gz WMCGYMYZEPYDSS-UHFFFAOYSA-N 0 1 229.283 2.283 20 0 BEADMN CC(C)OCCn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634620275 343018781 /nfs/dbraw/zinc/01/87/81/343018781.db2.gz YMUQARGKJMKLAP-QWRGUYRKSA-N 0 1 238.331 2.046 20 0 BEADMN CCCC[N@@H+](CC(=O)N(C)C(C)C)C1CC1 ZINC000046092954 343021331 /nfs/dbraw/zinc/02/13/31/343021331.db2.gz QCLMQHHXAMNEDQ-UHFFFAOYSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](C)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634624050 343024722 /nfs/dbraw/zinc/02/47/22/343024722.db2.gz WPSXOUCQYKBUQH-UTLUCORTSA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634624050 343024724 /nfs/dbraw/zinc/02/47/24/343024724.db2.gz WPSXOUCQYKBUQH-UTLUCORTSA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)c1cc(=O)n(C23CC(C2)C3)[nH]1 ZINC000634625053 343025274 /nfs/dbraw/zinc/02/52/74/343025274.db2.gz XDYRCLDOSMLEQE-QTZUAFFRSA-N 0 1 206.289 2.173 20 0 BEADMN CC[C@H](C)N1N=C2c3ccccc3C[C@H]2C1=O ZINC000634623308 343027069 /nfs/dbraw/zinc/02/70/69/343027069.db2.gz CFKRBTQFUICECQ-JOYOIKCWSA-N 0 1 228.295 2.204 20 0 BEADMN CCC1=NN([C@H](C)c2ccncc2)C(=O)[C@@H]1C ZINC000634626291 343027824 /nfs/dbraw/zinc/02/78/24/343027824.db2.gz AYSNQBHTHQGMBR-NXEZZACHSA-N 0 1 231.299 2.387 20 0 BEADMN CCc1[nH]n([C@H](C)c2ccncc2)c(=O)c1C ZINC000634626291 343027827 /nfs/dbraw/zinc/02/78/27/343027827.db2.gz AYSNQBHTHQGMBR-NXEZZACHSA-N 0 1 231.299 2.387 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCO[C@@H](C(C)C)C1 ZINC000361312271 187218506 /nfs/dbraw/zinc/21/85/06/187218506.db2.gz RHKHUQSUTBITGM-ZIAGYGMSSA-N 0 1 243.391 2.140 20 0 BEADMN C[C@@H]1CN(Cc2cncn2C)C[C@H](C)C1(F)F ZINC000625651370 344023769 /nfs/dbraw/zinc/02/37/69/344023769.db2.gz SDRYUWLGNBZAIU-AOOOYVTPSA-N 0 1 243.301 2.143 20 0 BEADMN CCC1=NN([C@H](C)C(F)(F)F)C(=O)[C@H]1C ZINC000634631236 343041615 /nfs/dbraw/zinc/04/16/15/343041615.db2.gz OKKKMVKNOMPKMI-NTSWFWBYSA-N 0 1 222.210 2.182 20 0 BEADMN CCc1[nH]n([C@H](C)C(F)(F)F)c(=O)c1C ZINC000634631236 343041616 /nfs/dbraw/zinc/04/16/16/343041616.db2.gz OKKKMVKNOMPKMI-NTSWFWBYSA-N 0 1 222.210 2.182 20 0 BEADMN C[C@H]1CN(Cc2ccno2)C[C@H](C)C1(F)F ZINC000625644127 344024350 /nfs/dbraw/zinc/02/43/50/344024350.db2.gz AIOYQLOPWCQDLN-IUCAKERBSA-N 0 1 230.258 2.398 20 0 BEADMN CCCCN(C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000021999758 343032677 /nfs/dbraw/zinc/03/26/77/343032677.db2.gz VHYZGSVXOZRLAQ-GFCCVEGCSA-N 0 1 238.306 2.084 20 0 BEADMN CC1=NN([C@H](C)COc2ccccc2)C(=O)[C@@H]1C ZINC000634629651 343032739 /nfs/dbraw/zinc/03/27/39/343032739.db2.gz YXMRPYOLRJQQHO-GHMZBOCLSA-N 0 1 246.310 2.308 20 0 BEADMN Cc1[nH]n([C@H](C)COc2ccccc2)c(=O)c1C ZINC000634629651 343032741 /nfs/dbraw/zinc/03/27/41/343032741.db2.gz YXMRPYOLRJQQHO-GHMZBOCLSA-N 0 1 246.310 2.308 20 0 BEADMN CC(C)(O)CN1CCC[C@H]1c1nccs1 ZINC000371571058 187222350 /nfs/dbraw/zinc/22/23/50/187222350.db2.gz KCRFGXIFNIYGNH-VIFPVBQESA-N 0 1 226.345 2.051 20 0 BEADMN C[C@@H]1CCCN(Cc2nnc3n2CCCC3)CC1 ZINC000335909889 136262153 /nfs/dbraw/zinc/26/21/53/136262153.db2.gz UBVFVSOUNZXCSQ-GFCCVEGCSA-N 0 1 248.374 2.236 20 0 BEADMN CC1(c2cc(=O)n(C[C@H]3CCSC3)[nH]2)CC1 ZINC000634629581 343035872 /nfs/dbraw/zinc/03/58/72/343035872.db2.gz XMBNXUUULWFIPV-SECBINFHSA-N 0 1 238.356 2.128 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1C[C@@H]1CCSC1 ZINC000634629275 343036431 /nfs/dbraw/zinc/03/64/31/343036431.db2.gz QIHFRSFXGAFCIK-VIFPVBQESA-N 0 1 238.356 2.128 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H](C)C1(F)F ZINC000625647693 344024975 /nfs/dbraw/zinc/02/49/75/344024975.db2.gz GQTMNXUZJURLCE-AOOOYVTPSA-N 0 1 243.301 2.143 20 0 BEADMN Cc1ncc(CN(C)[C@@H]2CCSC2)s1 ZINC000162659505 349787976 /nfs/dbraw/zinc/78/79/76/349787976.db2.gz MVLCPWWCANEIAU-SECBINFHSA-N 0 1 228.386 2.389 20 0 BEADMN CCc1ccc(CN2CCN(CC)CC2)s1 ZINC000505315483 529641013 /nfs/dbraw/zinc/64/10/13/529641013.db2.gz ZNHBUWWSNIJKCL-UHFFFAOYSA-N 0 1 238.400 2.448 20 0 BEADMN CC(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000176252993 365697763 /nfs/dbraw/zinc/69/77/63/365697763.db2.gz DSOZSLDVKIJTKR-PHIMTYICSA-N 0 1 235.331 2.425 20 0 BEADMN CC(C)c1noc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000176252993 365697769 /nfs/dbraw/zinc/69/77/69/365697769.db2.gz DSOZSLDVKIJTKR-PHIMTYICSA-N 0 1 235.331 2.425 20 0 BEADMN CC(C)Cc1nsc(NCC[C@H](C)F)n1 ZINC000338752170 187232096 /nfs/dbraw/zinc/23/20/96/187232096.db2.gz FITZQROBYFLIML-QMMMGPOBSA-N 0 1 231.340 2.319 20 0 BEADMN CN[C@H](C)c1cn(C/C=C\c2ccccc2)nn1 ZINC000640833416 362061440 /nfs/dbraw/zinc/06/14/40/362061440.db2.gz OMLZSJHMGNYBNM-OJIASSBASA-N 0 1 242.326 2.272 20 0 BEADMN CCNCc1cn(C/C=C/c2ccccc2)nn1 ZINC000640832164 362061498 /nfs/dbraw/zinc/06/14/98/362061498.db2.gz DGOHFYWEQUHEGG-RMKNXTFCSA-N 0 1 242.326 2.101 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2ccc(F)cc2)nn1 ZINC000640846600 362063932 /nfs/dbraw/zinc/06/39/32/362063932.db2.gz BYODKBQGUHONJB-NXEZZACHSA-N 0 1 248.305 2.307 20 0 BEADMN COC(=O)c1coc(CN2C3CCC2CC3)c1 ZINC000608832232 343095499 /nfs/dbraw/zinc/09/54/99/343095499.db2.gz FDZAFKNHGNNPGR-UHFFFAOYSA-N 0 1 235.283 2.193 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2cccc(F)c2)nn1 ZINC000640992562 362104084 /nfs/dbraw/zinc/10/40/84/362104084.db2.gz WRSYFQIARXKHNP-UWVGGRQHSA-N 0 1 248.305 2.307 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000049827670 343121566 /nfs/dbraw/zinc/12/15/66/343121566.db2.gz FXVHBXUANCSWJI-LBPRGKRZSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](C)n1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000640939363 362077385 /nfs/dbraw/zinc/07/73/85/362077385.db2.gz SJFLGNDRGMBQCI-ZANVPECISA-N 0 1 248.305 2.436 20 0 BEADMN CCC(CC)Cn1cc(C(C)(C)NC)nn1 ZINC000640937696 362080734 /nfs/dbraw/zinc/08/07/34/362080734.db2.gz KGHFYELNOHXBCB-UHFFFAOYSA-N 0 1 224.352 2.169 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NCc2ccon2)CCO1 ZINC000634680184 343147062 /nfs/dbraw/zinc/14/70/62/343147062.db2.gz NGAIBLGGFAEETM-CMPLNLGQSA-N 0 1 238.331 2.358 20 0 BEADMN COCc1cc([C@@H](C)NCCF)ccc1OC ZINC000281069651 187240675 /nfs/dbraw/zinc/24/06/75/187240675.db2.gz OCTKNZGKWPLMOC-SNVBAGLBSA-N 0 1 241.306 2.462 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccc(F)c1 ZINC000092926447 343148220 /nfs/dbraw/zinc/14/82/20/343148220.db2.gz PEVDLYNVZVPQJB-CABZTGNLSA-N 0 1 237.274 2.121 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1ccccc1 ZINC000092925062 343148458 /nfs/dbraw/zinc/14/84/58/343148458.db2.gz ZODSUTCTJWBRBN-DGCLKSJQSA-N 0 1 233.311 2.024 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)N1CC(C)C1 ZINC000576884774 365714273 /nfs/dbraw/zinc/71/42/73/365714273.db2.gz FYLIGPVWGYKXHL-FRRDWIJNSA-N 0 1 238.375 2.116 20 0 BEADMN CC1(C)C[N@@H+](Cc2cccs2)CC[C@@H]1O ZINC000258877968 343128858 /nfs/dbraw/zinc/12/88/58/343128858.db2.gz SIXWBMZHISYCNC-NSHDSACASA-N 0 1 225.357 2.341 20 0 BEADMN CCCN(CCC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000576886003 365715208 /nfs/dbraw/zinc/71/52/08/365715208.db2.gz TUCLDCPLCMRHAM-NSHDSACASA-N 0 1 237.347 2.237 20 0 BEADMN CCc1ccc(C[N@@H+](CCO)C2CC2)s1 ZINC000050103996 343134120 /nfs/dbraw/zinc/13/41/20/343134120.db2.gz UFPUDGHSTMCEIJ-UHFFFAOYSA-N 0 1 225.357 2.267 20 0 BEADMN CC(C)(C)c1ccccc1C(=O)N1CCNCC1 ZINC000131077987 343182651 /nfs/dbraw/zinc/18/26/51/343182651.db2.gz IVPUCSRIGAOLOV-UHFFFAOYSA-N 0 1 246.354 2.030 20 0 BEADMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccccn1 ZINC000094074522 343152551 /nfs/dbraw/zinc/15/25/51/343152551.db2.gz ULJDSEUSUGHCHY-HNNXBMFYSA-N 0 1 239.322 2.441 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762221 343157038 /nfs/dbraw/zinc/15/70/38/343157038.db2.gz ASQOZRYTPUGJEX-SNVBAGLBSA-N 0 1 236.315 2.400 20 0 BEADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000094762155 343157064 /nfs/dbraw/zinc/15/70/64/343157064.db2.gz XMKRLFPIJBCFON-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762908 343157285 /nfs/dbraw/zinc/15/72/85/343157285.db2.gz AKLKYUMWXVWFGY-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CC[N@@H+](CCCCc1ccccc1)CC(=O)[O-] ZINC000122125968 343158032 /nfs/dbraw/zinc/15/80/32/343158032.db2.gz FJHWMOOOIPZOPD-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN c1cn2c(n1)[C@H](NCC1=CCCCC1)CC2 ZINC000296230808 187242270 /nfs/dbraw/zinc/24/22/70/187242270.db2.gz AIGWRUXPNXTHJY-GFCCVEGCSA-N 0 1 217.316 2.418 20 0 BEADMN C[C@@H]1Cc2[nH+]cn(CCCC(=O)[O-])c2C[C@H]1C ZINC000379925215 365736898 /nfs/dbraw/zinc/73/68/98/365736898.db2.gz SBHDFRKVRCRKLJ-NXEZZACHSA-N 0 1 236.315 2.119 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000146488630 343197924 /nfs/dbraw/zinc/19/79/24/343197924.db2.gz BDLPHTIOEIDWIS-CMPLNLGQSA-N 0 1 219.284 2.297 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000158008083 343200400 /nfs/dbraw/zinc/20/04/00/343200400.db2.gz FDQQJJQAPUDDQD-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1nc2c(n1CCOC(C)C)CCCC2 ZINC000160732111 343203462 /nfs/dbraw/zinc/20/34/62/343203462.db2.gz YMTNDTVCHIOTDN-UHFFFAOYSA-N 0 1 222.332 2.495 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000167797965 343209530 /nfs/dbraw/zinc/20/95/30/343209530.db2.gz XVYDKWKTPRSTKM-WDEREUQCSA-N 0 1 209.289 2.034 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])[C@@H]1C=CCCC1 ZINC000167803003 343209634 /nfs/dbraw/zinc/20/96/34/343209634.db2.gz TXKNZGZZWOQKAR-LLVKDONJSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000165521792 343211690 /nfs/dbraw/zinc/21/16/90/343211690.db2.gz GHNZSTCZVWOQHN-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CCO[C@H](CN1CCC=C(F)C1)C1CC1 ZINC000625289881 343222781 /nfs/dbraw/zinc/22/27/81/343222781.db2.gz SZILMNNPHXVTDV-GFCCVEGCSA-N 0 1 213.296 2.361 20 0 BEADMN CC1(C)CC[C@@H](CN2CCO[C@@H](C3CC3)C2)O1 ZINC000334148194 343216957 /nfs/dbraw/zinc/21/69/57/343216957.db2.gz XZEVZGUAHUSXKB-QWHCGFSZSA-N 0 1 239.359 2.055 20 0 BEADMN CCNCc1cn([C@H](CC)c2ccccc2)nn1 ZINC000641014472 362130322 /nfs/dbraw/zinc/13/03/22/362130322.db2.gz ZBNMQRDKCBOZQT-CQSZACIVSA-N 0 1 244.342 2.387 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])CC1CCCC1 ZINC000082492520 136276866 /nfs/dbraw/zinc/27/68/66/136276866.db2.gz IXXWEXAPRNOLDI-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)C[C@@H]1C ZINC000132173459 343187362 /nfs/dbraw/zinc/18/73/62/343187362.db2.gz RBKULNCKJUVYES-MNOVXSKESA-N 0 1 225.332 2.219 20 0 BEADMN COc1cncc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)n1 ZINC000625311553 343232009 /nfs/dbraw/zinc/23/20/09/343232009.db2.gz CGHBZQKQRWMOQO-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN COc1cncc(C[N@H+]2CC[C@H](C(C)(C)C)C2)n1 ZINC000625311555 343232201 /nfs/dbraw/zinc/23/22/01/343232201.db2.gz CGHBZQKQRWMOQO-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN C[C@@H]1CC[C@H](NCc2csnn2)[C@H](C)C1 ZINC000069674893 343288522 /nfs/dbraw/zinc/28/85/22/343288522.db2.gz SJKWILAAJBAQQQ-KKZNHRDASA-N 0 1 225.361 2.452 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000051361374 343256289 /nfs/dbraw/zinc/25/62/89/343256289.db2.gz KFZUEUDEKVHTHI-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330345 343256351 /nfs/dbraw/zinc/25/63/51/343256351.db2.gz AVVUOFZKVWGDJH-QMMMGPOBSA-N 0 1 211.261 2.208 20 0 BEADMN CCNCc1cn(CCC(C)(C)CC)nn1 ZINC000641049596 362156765 /nfs/dbraw/zinc/15/67/65/362156765.db2.gz LNPBBWNOPZNVMZ-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN CCC[C@H](C)CCCN1C[C@@H](C)O[C@H](CO)C1 ZINC000625362940 343259967 /nfs/dbraw/zinc/25/99/67/343259967.db2.gz HFPWTWHBUQGFGU-MJBXVCDLSA-N 0 1 243.391 2.284 20 0 BEADMN CCC[C@H](C)CCCN1C[C@H](CO)O[C@@H](C)C1 ZINC000625362939 343260017 /nfs/dbraw/zinc/26/00/17/343260017.db2.gz HFPWTWHBUQGFGU-MELADBBJSA-N 0 1 243.391 2.284 20 0 BEADMN CCC(C)(C)CCn1cc(CNC2CC2)nn1 ZINC000641049256 362160323 /nfs/dbraw/zinc/16/03/23/362160323.db2.gz HJMPOQYVKLKQFD-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN C[C@H]1COc2ccccc2C[N@H+]1C[C@@H]1CCCO1 ZINC000273049618 187337227 /nfs/dbraw/zinc/33/72/27/187337227.db2.gz YHELYCDLOXZNSI-JSGCOSHPSA-N 0 1 247.338 2.449 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccc(C)c(F)c2)nn1 ZINC000641036683 362149061 /nfs/dbraw/zinc/14/90/61/362149061.db2.gz XBTGCIFOBYSTDI-SNVBAGLBSA-N 0 1 248.305 2.054 20 0 BEADMN CC(C)c1nc(CN[C@@H](C)[C@H](C)CO)cs1 ZINC000164322899 136292308 /nfs/dbraw/zinc/29/23/08/136292308.db2.gz SFJCGKGYQRINAK-ZJUUUORDSA-N 0 1 242.388 2.373 20 0 BEADMN CNC(C)(C)c1cn(CCC(C)(C)C)nn1 ZINC000641042270 362151495 /nfs/dbraw/zinc/15/14/95/362151495.db2.gz CENDMHSCBQACGV-UHFFFAOYSA-N 0 1 224.352 2.169 20 0 BEADMN CCOc1ncccc1NCc1cn[nH]c1C ZINC000037026517 343331348 /nfs/dbraw/zinc/33/13/48/343331348.db2.gz DTHMAPXYUHUUKS-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN CCOC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000069793500 343291077 /nfs/dbraw/zinc/29/10/77/343291077.db2.gz MYMIXHKIBFEUFP-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](NCc1csnn1)C1CCCC1 ZINC000069803931 343292006 /nfs/dbraw/zinc/29/20/06/343292006.db2.gz URKFNKLGHXDENO-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H](C3CC3)C2)nn1 ZINC000347861898 136293203 /nfs/dbraw/zinc/29/32/03/136293203.db2.gz VOCMJBSWOUWSIB-GFCCVEGCSA-N 0 1 234.347 2.091 20 0 BEADMN CCOc1ccc2nc(SCCO)[nH]c2c1 ZINC000035650348 343301141 /nfs/dbraw/zinc/30/11/41/343301141.db2.gz ORKULHQFWYKQRN-UHFFFAOYSA-N 0 1 238.312 2.046 20 0 BEADMN Cc1sccc1NC(=O)CN(C)C1CCC1 ZINC000641054234 362164328 /nfs/dbraw/zinc/16/43/28/362164328.db2.gz VEKZRNDDFDMSNY-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN CC/C=C/CCn1cc(C(C)(C)NC)nn1 ZINC000641065563 362172193 /nfs/dbraw/zinc/17/21/93/362172193.db2.gz GZKGCOBJHPQRGZ-VOTSOKGWSA-N 0 1 222.336 2.089 20 0 BEADMN C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(CN)o1 ZINC000335627476 136299692 /nfs/dbraw/zinc/29/96/92/136299692.db2.gz FEIDOKNQJKMDTR-JTQLQIEISA-N 0 1 248.326 2.143 20 0 BEADMN C[C@@H](NC(=O)CN1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000625380666 343365461 /nfs/dbraw/zinc/36/54/61/343365461.db2.gz KOSMONAAMNZRAI-JHJVBQTASA-N 0 1 246.354 2.347 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc2c(C)cccn12 ZINC000348838173 136302076 /nfs/dbraw/zinc/30/20/76/136302076.db2.gz NGFPWLZDKKHKKX-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN CO[C@H](C)CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000348832649 136303314 /nfs/dbraw/zinc/30/33/14/136303314.db2.gz KBVLMLWIPWFIHE-SNVBAGLBSA-N 0 1 239.363 2.174 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000348832950 136303420 /nfs/dbraw/zinc/30/34/20/136303420.db2.gz KSMSIFRRNYPMDJ-MRVPVSSYSA-N 0 1 217.696 2.400 20 0 BEADMN COc1cncc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000335673264 136317451 /nfs/dbraw/zinc/31/74/51/136317451.db2.gz ZTVUKXGKNOHMTQ-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN CC[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC000335674729 136317938 /nfs/dbraw/zinc/31/79/38/136317938.db2.gz MFRBBAWDJUEKOL-NSHDSACASA-N 0 1 205.305 2.017 20 0 BEADMN Cc1ccc(CN2CC[C@H](n3cccn3)C2)nc1 ZINC000335667128 136311251 /nfs/dbraw/zinc/31/12/51/136311251.db2.gz RZOYUYKGIKUHBD-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN CCNCc1cn([C@@H]2C=CCCCCC2)nn1 ZINC000641075577 362183456 /nfs/dbraw/zinc/18/34/56/362183456.db2.gz LHWLQZANUZWVCY-CYBMUJFWSA-N 0 1 234.347 2.449 20 0 BEADMN Cn1cc(CN[C@H]2CCOc3ccccc32)cn1 ZINC000034996503 187257738 /nfs/dbraw/zinc/25/77/38/187257738.db2.gz RFRVIQVDTYMRJM-ZDUSSCGKSA-N 0 1 243.310 2.034 20 0 BEADMN c1cncc(CN2CCOCC3(CCC3)C2)c1 ZINC000335660969 136314909 /nfs/dbraw/zinc/31/49/09/136314909.db2.gz LNKKEMVDAVIQTA-UHFFFAOYSA-N 0 1 232.327 2.084 20 0 BEADMN CNCc1cn([C@@H]2C=CCCCCC2)nn1 ZINC000641076039 362185234 /nfs/dbraw/zinc/18/52/34/362185234.db2.gz QSGLZNGCZRNCAT-GFCCVEGCSA-N 0 1 220.320 2.059 20 0 BEADMN CSc1ccc([C@@H](C)NCc2nnc[nH]2)cc1 ZINC000037919384 187261222 /nfs/dbraw/zinc/26/12/22/187261222.db2.gz YLKTXBWIHGFNQT-SECBINFHSA-N 0 1 248.355 2.377 20 0 BEADMN CCC[C@H](C)CCCN1C[C@@H]2COC[C@H](C1)O2 ZINC000625399194 343407749 /nfs/dbraw/zinc/40/77/49/343407749.db2.gz ILXURBKNXCFASX-MELADBBJSA-N 0 1 241.375 2.302 20 0 BEADMN CCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349155887 136327609 /nfs/dbraw/zinc/32/76/09/136327609.db2.gz CGBYVRZIXZPXIQ-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN Cn1cc(CNCc2cccc(Cl)c2)cn1 ZINC000041041829 343413671 /nfs/dbraw/zinc/41/36/71/343413671.db2.gz SGLKLCUFDROHMI-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN COc1c(O)cccc1CN[C@@H]1C[C@H]1C(F)F ZINC000349034317 136320539 /nfs/dbraw/zinc/32/05/39/136320539.db2.gz OBLZDNWGLJSMCY-RKDXNWHRSA-N 0 1 243.253 2.144 20 0 BEADMN COC(=O)c1ccc(CN2CC(C)(C)C2)cc1 ZINC000310335921 343439734 /nfs/dbraw/zinc/43/97/34/343439734.db2.gz MTNLDSANIOHESP-UHFFFAOYSA-N 0 1 233.311 2.315 20 0 BEADMN Cc1noc([C@H]2CCCN2CC(C)C)n1 ZINC000335729215 136348317 /nfs/dbraw/zinc/34/83/17/136348317.db2.gz BCCWTGMVDGIGDR-SNVBAGLBSA-N 0 1 209.293 2.171 20 0 BEADMN CN[C@@H](C)c1cn(CC23CCC(CC2)C3)nn1 ZINC000641085787 362208443 /nfs/dbraw/zinc/20/84/43/362208443.db2.gz CMLPJZJFWUXQGZ-ZBOXLXRLSA-N 0 1 234.347 2.139 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(Cc3ccn(C)n3)C2)C1 ZINC000335737108 136350718 /nfs/dbraw/zinc/35/07/18/136350718.db2.gz SZZIGVNYCJRJPW-TZMCWYRMSA-N 0 1 233.359 2.432 20 0 BEADMN CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000335737732 136351205 /nfs/dbraw/zinc/35/12/05/136351205.db2.gz TUKSFNBGNRSJFW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(C)(C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000335737732 136351206 /nfs/dbraw/zinc/35/12/06/136351206.db2.gz TUKSFNBGNRSJFW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cnn(C)c1C[N@@H+]1CCC[C@H](C)CC1 ZINC000335739051 136351381 /nfs/dbraw/zinc/35/13/81/136351381.db2.gz FZAYEMFUHKPFGP-NSHDSACASA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000335739050 136351592 /nfs/dbraw/zinc/35/15/92/136351592.db2.gz FZAYEMFUHKPFGP-LLVKDONJSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2ncnn2C(C)(C)C)C1 ZINC000335702590 136334298 /nfs/dbraw/zinc/33/42/98/136334298.db2.gz BQXGQCHTXWCWRX-MNOVXSKESA-N 0 1 236.363 2.263 20 0 BEADMN Cc1cnc(CN2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000335719021 136340194 /nfs/dbraw/zinc/34/01/94/136340194.db2.gz PGUBMDKTHXJBDJ-VXGBXAGGSA-N 0 1 217.316 2.017 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335842937 136354721 /nfs/dbraw/zinc/35/47/21/136354721.db2.gz FRSVHNFYJGOAIT-ZYHUDNBSSA-N 0 1 247.342 2.162 20 0 BEADMN c1cc2ccc(CNCc3ccncc3)nc2[nH]1 ZINC000353247667 136363172 /nfs/dbraw/zinc/36/31/72/136363172.db2.gz KAVLPQQVBABPRQ-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN C[C@H]1CC(NCc2csnn2)C[C@H](C)C1 ZINC000082834887 343468238 /nfs/dbraw/zinc/46/82/38/343468238.db2.gz DVNUILHZZVOMGC-RKDXNWHRSA-N 0 1 225.361 2.452 20 0 BEADMN CCC1(C)CCN(C(=O)c2cnccc2N)CC1 ZINC000127693979 168446119 /nfs/dbraw/zinc/44/61/19/168446119.db2.gz KLFKRJUQEBXNHE-UHFFFAOYSA-N 0 1 247.342 2.316 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](CCCCC(=O)[O-])C1 ZINC000084049474 343515850 /nfs/dbraw/zinc/51/58/50/343515850.db2.gz UANWPSQMLHAWDQ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1CCCCC(=O)[O-] ZINC000084049479 343515875 /nfs/dbraw/zinc/51/58/75/343515875.db2.gz UANWPSQMLHAWDQ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1COCCN1CCCc1ccccc1 ZINC000046775524 343550383 /nfs/dbraw/zinc/55/03/83/343550383.db2.gz WKIBBTYTJRHVOV-CYBMUJFWSA-N 0 1 219.328 2.340 20 0 BEADMN CCc1nnc(NC(=O)[C@H](C)CC(C)(C)C)[nH]1 ZINC000357376311 343543061 /nfs/dbraw/zinc/54/30/61/343543061.db2.gz LXDWJPNHVGBWHW-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](C)CC(C)(C)C)n1 ZINC000357376311 343543063 /nfs/dbraw/zinc/54/30/63/343543063.db2.gz LXDWJPNHVGBWHW-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N(C)CC1CN(C)C1 ZINC000618190339 343547850 /nfs/dbraw/zinc/54/78/50/343547850.db2.gz OIPLNMGUQUXCPM-CQSZACIVSA-N 0 1 240.391 2.223 20 0 BEADMN C[C@@H](N[C@H](C)c1ccncc1)c1cnn(C)c1 ZINC000044494930 343503738 /nfs/dbraw/zinc/50/37/38/343503738.db2.gz UKCPTYQKRIVUPH-GHMZBOCLSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccncc1 ZINC000044494928 343503858 /nfs/dbraw/zinc/50/38/58/343503858.db2.gz UKCPTYQKRIVUPH-MNOVXSKESA-N 0 1 230.315 2.227 20 0 BEADMN CSC1(CNCc2ccon2)CCC1 ZINC000379503368 343568499 /nfs/dbraw/zinc/56/84/99/343568499.db2.gz MDOPBTRWRZDTQO-UHFFFAOYSA-N 0 1 212.318 2.050 20 0 BEADMN CCc1nnc(NC(=O)C[C@H](C)C(C)(C)C)[nH]1 ZINC000479133859 529743302 /nfs/dbraw/zinc/74/33/02/529743302.db2.gz RQNMOZNAJOGUAN-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H](C)C(C)(C)C)n1 ZINC000479133859 529743303 /nfs/dbraw/zinc/74/33/03/529743303.db2.gz RQNMOZNAJOGUAN-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000192627485 365773083 /nfs/dbraw/zinc/77/30/83/365773083.db2.gz YUTJVLIQRHFXCQ-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1csc(CN[C@@H](C)[C@H]2CCCO2)n1 ZINC000082725386 187266975 /nfs/dbraw/zinc/26/69/75/187266975.db2.gz QMZQMTUAGXFJDV-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@H]2CCCO2)cs1 ZINC000049591270 343603774 /nfs/dbraw/zinc/60/37/74/343603774.db2.gz SFCTUSAVBWWDIP-GXSJLCMTSA-N 0 1 240.372 2.363 20 0 BEADMN CC[C@H](CC(=O)N(C)CC1CN(C)C1)C(C)C ZINC000618194141 343604755 /nfs/dbraw/zinc/60/47/55/343604755.db2.gz RLUAOYFMJJZJLX-CYBMUJFWSA-N 0 1 240.391 2.079 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693881 343608556 /nfs/dbraw/zinc/60/85/56/343608556.db2.gz MLHZHRRTSXQUAL-JTNHKYCSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](O)C1 ZINC000052440628 343635005 /nfs/dbraw/zinc/63/50/05/343635005.db2.gz VLRPQHWUUODRIN-KOLCDFICSA-N 0 1 241.281 2.483 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2[C@H]1C=CCCC1 ZINC000634697030 343635513 /nfs/dbraw/zinc/63/55/13/343635513.db2.gz XPAUGOMTQLEULM-ZBOXLXRLSA-N 0 1 221.300 2.177 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2[C@@H]1C=CCCC1 ZINC000634697029 343635639 /nfs/dbraw/zinc/63/56/39/343635639.db2.gz XPAUGOMTQLEULM-XSRFYTQQSA-N 0 1 221.300 2.177 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)c1ccc2cncn2c1 ZINC000620076553 343636793 /nfs/dbraw/zinc/63/67/93/343636793.db2.gz SSQQJHSEVLKEGT-AWEZNQCLSA-N 0 1 243.310 2.253 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000620081515 343645088 /nfs/dbraw/zinc/64/50/88/343645088.db2.gz FQGOTRICYOPTOW-CQSZACIVSA-N 0 1 247.342 2.207 20 0 BEADMN CCC[N@H+]1CC[C@H](Nc2nccc(C)c2C#N)C1 ZINC000389228182 343624760 /nfs/dbraw/zinc/62/47/60/343624760.db2.gz HYQGLXMDIJNEKT-LBPRGKRZSA-N 0 1 244.342 2.158 20 0 BEADMN CCN1CCN(Cc2ccc(C)o2)C[C@@H]1C ZINC000678261733 488229040 /nfs/dbraw/zinc/22/90/40/488229040.db2.gz QCQBQHHWIILAKH-NSHDSACASA-N 0 1 222.332 2.114 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccc(CC)o1 ZINC000379949511 343659592 /nfs/dbraw/zinc/65/95/92/343659592.db2.gz SJHUOAVGAJNWSF-RYUDHWBXSA-N 0 1 209.289 2.109 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000088046989 343697505 /nfs/dbraw/zinc/69/75/05/343697505.db2.gz DMIAKMZXEQJNIH-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CC(C)(C)c1cnc(SCc2c[nH]nn2)o1 ZINC000287499942 187346505 /nfs/dbraw/zinc/34/65/05/187346505.db2.gz KKMBJKWQMSAFFW-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN Cc1ccc(CN2CCC[C@](F)(CO)C2)cc1 ZINC000286988640 178570195 /nfs/dbraw/zinc/57/01/95/178570195.db2.gz QGJKSDAKDYICNY-CQSZACIVSA-N 0 1 237.318 2.291 20 0 BEADMN CCCCOCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000049263947 187270570 /nfs/dbraw/zinc/27/05/70/187270570.db2.gz JRTKTLZONNTQAD-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261538367 349849785 /nfs/dbraw/zinc/84/97/85/349849785.db2.gz XWCJGPITLZYMID-PWSUYJOCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CO[C@H](C)C2)cs1 ZINC000402121478 349850512 /nfs/dbraw/zinc/85/05/12/349850512.db2.gz GVRMQKDRPGJLNA-WEDXCCLWSA-N 0 1 226.345 2.280 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](O)C1 ZINC000062640427 343743205 /nfs/dbraw/zinc/74/32/05/343743205.db2.gz VLRPQHWUUODRIN-MWLCHTKSSA-N 0 1 241.281 2.483 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@@H](C(C)C)C2)o1 ZINC000232757683 537806932 /nfs/dbraw/zinc/80/69/32/537806932.db2.gz HESJFGQRQSVAHD-NWDGAFQWSA-N 0 1 238.331 2.276 20 0 BEADMN C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccoc1 ZINC000624342532 343723550 /nfs/dbraw/zinc/72/35/50/343723550.db2.gz GHCFVKGUXQTARX-MFKMUULPSA-N 0 1 248.326 2.084 20 0 BEADMN CCOC1(C)CCN(Cc2cnc(C)o2)CC1 ZINC000628290514 346961512 /nfs/dbraw/zinc/96/15/12/346961512.db2.gz HGXTXEXLSINORA-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc2ccc(C)cn12 ZINC000289720328 187347588 /nfs/dbraw/zinc/34/75/88/187347588.db2.gz HFOBMITUNJNPEM-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC(C)(F)CC1 ZINC000602993100 349848076 /nfs/dbraw/zinc/84/80/76/349848076.db2.gz PSRCBUQFLPAMGM-NSHDSACASA-N 0 1 245.338 2.398 20 0 BEADMN c1cc([C@@H]2CCCCN2CC2=CCCOC2)n[nH]1 ZINC000289573584 187347650 /nfs/dbraw/zinc/34/76/50/187347650.db2.gz STGKXCKXPSFWBR-AWEZNQCLSA-N 0 1 247.342 2.283 20 0 BEADMN CC(C)[C@H](O)CN[C@H](C)c1c(F)cncc1F ZINC000293183187 187349065 /nfs/dbraw/zinc/34/90/65/187349065.db2.gz DSUFQNNPVKVOSY-LDYMZIIASA-N 0 1 244.285 2.027 20 0 BEADMN COC(=O)CN1CC[C@]1(C)C1CCCCC1 ZINC000603029126 349859487 /nfs/dbraw/zinc/85/94/87/349859487.db2.gz JVSAJRVEPZRCRL-CYBMUJFWSA-N 0 1 225.332 2.204 20 0 BEADMN C[C@@H](NCCOCc1ccccc1)c1ncc[nH]1 ZINC000286139013 537808979 /nfs/dbraw/zinc/80/89/79/537808979.db2.gz OWJBOFLMRWLIMV-GFCCVEGCSA-N 0 1 245.326 2.277 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCN1C)C1CCCCC1 ZINC000128057669 343757091 /nfs/dbraw/zinc/75/70/91/343757091.db2.gz JVXZYXMLEAVDHT-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1c[nH]c(NC(=O)c2c(C)n[nH]c2C(C)C)n1 ZINC000154737159 343759082 /nfs/dbraw/zinc/75/90/82/343759082.db2.gz MBYOUZBFVOTXDX-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN CC[C@H](F)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000584118931 343760977 /nfs/dbraw/zinc/76/09/77/343760977.db2.gz QSIREVRWWOUWPL-JTQLQIEISA-N 0 1 219.300 2.167 20 0 BEADMN CC[C@@H](F)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000584118932 343761014 /nfs/dbraw/zinc/76/10/14/343761014.db2.gz QSIREVRWWOUWPL-SNVBAGLBSA-N 0 1 219.300 2.167 20 0 BEADMN OC[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000051886909 343789330 /nfs/dbraw/zinc/78/93/30/343789330.db2.gz LBVHMOIVMRJLSH-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN COCC1=CCN(C/C=C(\C)Cl)CC1 ZINC000528456029 262949662 /nfs/dbraw/zinc/94/96/62/262949662.db2.gz CTBGZCWIUYZOAK-XCVCLJGOSA-N 0 1 215.724 2.408 20 0 BEADMN C[C@H]1CN(C(=O)c2ccc(F)cc2O)[C@H]1C ZINC000294363045 187350189 /nfs/dbraw/zinc/35/01/89/187350189.db2.gz XEMFHCZYEXWPLE-YUMQZZPRSA-N 0 1 223.247 2.012 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000363411255 187274471 /nfs/dbraw/zinc/27/44/71/187274471.db2.gz MSOAQJUSEBGDBC-KCJUWKMLSA-N 0 1 242.282 2.066 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000381036881 343830538 /nfs/dbraw/zinc/83/05/38/343830538.db2.gz CVNJJFAFGVMULY-ZDUSSCGKSA-N 0 1 223.316 2.283 20 0 BEADMN CC(C)C[N@@H+](CC(=O)NCC1CCC1)C(C)C ZINC000066492856 349876762 /nfs/dbraw/zinc/87/67/62/349876762.db2.gz PKONZMJGSZIEPE-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN Cn1cnnc1CN(C1CC1)C1CCCCC1 ZINC000624481278 343902909 /nfs/dbraw/zinc/90/29/09/343902909.db2.gz BZBXEPBWVJTWTC-UHFFFAOYSA-N 0 1 234.347 2.112 20 0 BEADMN CC(C)(C)CCCNC(=O)c1[nH]nc2c1CCC2 ZINC000126404969 343904961 /nfs/dbraw/zinc/90/49/61/343904961.db2.gz OXMIABDVOATTGZ-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN CCOC1CC(N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345355858 343908677 /nfs/dbraw/zinc/90/86/77/343908677.db2.gz NTDHNMFACOQGOH-YYJSSNLHSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1cc(NC(=O)CN(C)C2CCC2)cs1 ZINC000641174750 362252415 /nfs/dbraw/zinc/25/24/15/362252415.db2.gz DCDZRYRMHHTTAH-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000628119018 343970123 /nfs/dbraw/zinc/97/01/23/343970123.db2.gz WMHLBSAQXBHEQS-UWVGGRQHSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H]2C)c1 ZINC000641243268 362292197 /nfs/dbraw/zinc/29/21/97/362292197.db2.gz PLJKNANFQXULIQ-SECBINFHSA-N 0 1 229.283 2.106 20 0 BEADMN CCCN1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628118953 343969781 /nfs/dbraw/zinc/96/97/81/343969781.db2.gz SPQQHTCUXWYWFH-UHFFFAOYSA-N 0 1 249.358 2.080 20 0 BEADMN CC[C@H](CN1Cc2ccc(O)cc2C1)OC ZINC000625728311 344059943 /nfs/dbraw/zinc/05/99/43/344059943.db2.gz HQSPVXKVCCYOMU-CYBMUJFWSA-N 0 1 221.300 2.133 20 0 BEADMN Cn1nccc1CN1CCCC(F)(F)CC1 ZINC000625770696 344066432 /nfs/dbraw/zinc/06/64/32/344066432.db2.gz OWOZCAILPZERCO-UHFFFAOYSA-N 0 1 229.274 2.041 20 0 BEADMN FC(F)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773817 344070627 /nfs/dbraw/zinc/07/06/27/344070627.db2.gz NETDPFMRDDAVLD-SFYZADRCSA-N 0 1 207.289 2.221 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000087778471 187286192 /nfs/dbraw/zinc/28/61/92/187286192.db2.gz ZSBIDFPEJNPIOH-OLZOCXBDSA-N 0 1 246.354 2.472 20 0 BEADMN Cn1ccnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000247357266 344105104 /nfs/dbraw/zinc/10/51/04/344105104.db2.gz HBKXIGIEVNQWSM-VXGBXAGGSA-N 0 1 219.332 2.185 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000570688698 323067307 /nfs/dbraw/zinc/06/73/07/323067307.db2.gz IKERUXBUEKKSND-GXSJLCMTSA-N 0 1 239.340 2.228 20 0 BEADMN CC(C)(C)c1n[nH]c(SCc2cn[nH]c2)n1 ZINC000331179850 187358486 /nfs/dbraw/zinc/35/84/86/187358486.db2.gz MKMSWDIPLDUTEW-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN CC(C)(C)c1nc(SCc2cn[nH]c2)n[nH]1 ZINC000331179850 187358488 /nfs/dbraw/zinc/35/84/88/187358488.db2.gz MKMSWDIPLDUTEW-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN CC1(C)CCC[C@@](CO)(NCc2ccon2)C1 ZINC000625836083 344089407 /nfs/dbraw/zinc/08/94/07/344089407.db2.gz STBDKNOTJSDIHF-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN CC(C)c1nc(CN(C2CC2)C2CC2)n[nH]1 ZINC000625840881 344092269 /nfs/dbraw/zinc/09/22/69/344092269.db2.gz FKLULSFPSRDOPO-UHFFFAOYSA-N 0 1 220.320 2.055 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299895473 344119058 /nfs/dbraw/zinc/11/90/58/344119058.db2.gz HQJUHXMQIXKWGY-YFKTTZPYSA-N 0 1 225.332 2.218 20 0 BEADMN Clc1ccc(CN2C[C@@H]3COC[C@@H]3C2)o1 ZINC000634746675 344177427 /nfs/dbraw/zinc/17/74/27/344177427.db2.gz GKWNROHYKOXWOC-DTORHVGOSA-N 0 1 227.691 2.011 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000157030351 344153072 /nfs/dbraw/zinc/15/30/72/344153072.db2.gz QPJFJEMSQISEJY-CYBMUJFWSA-N 0 1 248.326 2.038 20 0 BEADMN CCc1nc(CNCC2(O)CCCC2)cs1 ZINC000082687313 344161801 /nfs/dbraw/zinc/16/18/01/344161801.db2.gz POVPSPFZDRAZBK-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000195526116 344216173 /nfs/dbraw/zinc/21/61/73/344216173.db2.gz PCQXFRYCKNQIIH-SECBINFHSA-N 0 1 231.299 2.433 20 0 BEADMN CCSCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000129858254 344216757 /nfs/dbraw/zinc/21/67/57/344216757.db2.gz CPBSPPDEXNHWTE-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN CC[C@@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758405 344226078 /nfs/dbraw/zinc/22/60/78/344226078.db2.gz OBEIJZMFJLZLPH-BDAKNGLRSA-N 0 1 207.264 2.141 20 0 BEADMN CC[C@@H](C)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758408 344226266 /nfs/dbraw/zinc/22/62/66/344226266.db2.gz OBEIJZMFJLZLPH-RKDXNWHRSA-N 0 1 207.264 2.141 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccn[nH]1 ZINC000247427883 344277161 /nfs/dbraw/zinc/27/71/61/344277161.db2.gz LPRUITVPOSRMJV-NQBHXWOUSA-N 0 1 247.342 2.132 20 0 BEADMN COc1ccsc1C[N@@H+]1CCC[C@H](OC)C1 ZINC000091772374 344284620 /nfs/dbraw/zinc/28/46/20/344284620.db2.gz KVEGHWXVXJWWQP-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000582133905 347045386 /nfs/dbraw/zinc/04/53/86/347045386.db2.gz SRQJHSNQKZBIDA-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN CCC1(CNCc2csnn2)CCC1 ZINC000133373339 344318859 /nfs/dbraw/zinc/31/88/59/344318859.db2.gz KKWJIQVTUMAQNU-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN CCSCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000600676220 344355331 /nfs/dbraw/zinc/35/53/31/344355331.db2.gz UJDQUQDYYZSOAH-JGPRNRPPSA-N 0 1 245.388 2.313 20 0 BEADMN CCCn1ncnc1CN1CC[C@H]2CCC[C@H]21 ZINC000447879305 201745417 /nfs/dbraw/zinc/74/54/17/201745417.db2.gz PPPXYDMWPBOKCU-VXGBXAGGSA-N 0 1 234.347 2.063 20 0 BEADMN Cc1nc2ccc(CSCCO)cc2[nH]1 ZINC000603309391 349910356 /nfs/dbraw/zinc/91/03/56/349910356.db2.gz AHWBEXKBJHJDTG-UHFFFAOYSA-N 0 1 222.313 2.097 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC000600944533 344399991 /nfs/dbraw/zinc/39/99/91/344399991.db2.gz SSHYLQCGYBMCDU-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@H]2C2CC2)s1 ZINC000336776959 537846564 /nfs/dbraw/zinc/84/65/64/537846564.db2.gz GZUQVTLBNHHLHQ-UWVGGRQHSA-N 0 1 237.372 2.379 20 0 BEADMN Cc1cccc(C)c1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000215453294 344443144 /nfs/dbraw/zinc/44/31/44/344443144.db2.gz CPEQNSVVDJTIGE-UHFFFAOYSA-N 0 1 233.311 2.352 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1ccc(F)cc1O ZINC000228310352 259376020 /nfs/dbraw/zinc/37/60/20/259376020.db2.gz QKAZCJXBBUMUQR-MRVPVSSYSA-N 0 1 237.274 2.307 20 0 BEADMN CC1CC(CNC(=O)c2cccc3nc[nH]c32)C1 ZINC000622239006 344465440 /nfs/dbraw/zinc/46/54/40/344465440.db2.gz MBDNKPXSAIUJGM-UHFFFAOYSA-N 0 1 243.310 2.339 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CC[C@@H]1C(=O)[O-] ZINC000402228517 344470286 /nfs/dbraw/zinc/47/02/86/344470286.db2.gz WSEZJLIJGNNNDS-UPJWGTAASA-N 0 1 237.343 2.385 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1cscn1 ZINC000381197050 344483798 /nfs/dbraw/zinc/48/37/98/344483798.db2.gz BGYXJFDFXQEKNN-BTQIBKBOSA-N 0 1 238.356 2.361 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCc1ccsc1 ZINC000068271583 349912315 /nfs/dbraw/zinc/91/23/15/349912315.db2.gz KCHHQPKPASJPMK-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN C[C@@H]1CC[C@]2(CC[N@@H+](CCCC(=O)[O-])C2)C1 ZINC000309421761 347058861 /nfs/dbraw/zinc/05/88/61/347058861.db2.gz ZSUVOUKCDNMGSK-YPMHNXCESA-N 0 1 225.332 2.363 20 0 BEADMN CCc1cnc(CN[C@@]2(C)CCO[C@H]2C)s1 ZINC000309402113 347055761 /nfs/dbraw/zinc/05/57/61/347055761.db2.gz AGPXNLUUNKJIRP-CABZTGNLSA-N 0 1 240.372 2.363 20 0 BEADMN COc1cc(CSc2cn[nH]n2)ccc1C ZINC000641464261 362434238 /nfs/dbraw/zinc/43/42/38/362434238.db2.gz ODDHRPYAXXCBLS-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN CC(C)(C)c1ccnc(NCCc2nc[nH]n2)c1 ZINC000641433181 362416612 /nfs/dbraw/zinc/41/66/12/362416612.db2.gz AUMDKNFSUPAXOV-UHFFFAOYSA-N 0 1 245.330 2.152 20 0 BEADMN FCC[C@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000626002243 344663294 /nfs/dbraw/zinc/66/32/94/344663294.db2.gz JQKCGXOTJXACMK-NEPJUHHUSA-N 0 1 213.296 2.156 20 0 BEADMN CCOCCCN1Cc2cccc(OC)c2C1 ZINC000626021703 344677349 /nfs/dbraw/zinc/67/73/49/344677349.db2.gz MFBZYNPFEVMDGN-UHFFFAOYSA-N 0 1 235.327 2.437 20 0 BEADMN COc1cccc2c1CN(C[C@@H](O)C(C)C)C2 ZINC000626022951 344678482 /nfs/dbraw/zinc/67/84/82/344678482.db2.gz PYCRHBUVTRRJRB-CYBMUJFWSA-N 0 1 235.327 2.028 20 0 BEADMN CCc1cnc(CN[C@@H]2CCCC[C@H]2O)s1 ZINC000348151702 344640749 /nfs/dbraw/zinc/64/07/49/344640749.db2.gz OBNBBNDPEGWUNE-GHMZBOCLSA-N 0 1 240.372 2.099 20 0 BEADMN CCc1nc(CN2C[C@@H]3CCCC[C@@]32C)n[nH]1 ZINC000626103546 344740892 /nfs/dbraw/zinc/74/08/92/344740892.db2.gz FEEQSVHGXNBSTP-GWCFXTLKSA-N 0 1 234.347 2.132 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000117154060 344740966 /nfs/dbraw/zinc/74/09/66/344740966.db2.gz LFGHHAJNELONDB-SNVBAGLBSA-N 0 1 221.304 2.062 20 0 BEADMN COc1nccc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103551 344741096 /nfs/dbraw/zinc/74/10/96/344741096.db2.gz FIHWPJWKCYWMSX-FZMZJTMJSA-N 0 1 247.342 2.250 20 0 BEADMN Cn1ccc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103483 344741183 /nfs/dbraw/zinc/74/11/83/344741183.db2.gz BQXPWEWKIBIPAS-AAEUAGOBSA-N 0 1 219.332 2.185 20 0 BEADMN FCCC[NH+]1CCN([C@@H]2C=CCCC2)CC1 ZINC000626072067 344716225 /nfs/dbraw/zinc/71/62/25/344716225.db2.gz GARZXDYJYRSUDI-CYBMUJFWSA-N 0 1 226.339 2.072 20 0 BEADMN CCc1nc(CN(C)[C@@H](C)c2ccco2)n[nH]1 ZINC000181663666 347067741 /nfs/dbraw/zinc/06/77/41/347067741.db2.gz IRZUVIQGTGNFIP-VIFPVBQESA-N 0 1 234.303 2.153 20 0 BEADMN CCCCCN(CCC)CC(=O)OCC ZINC000050051808 344717518 /nfs/dbraw/zinc/71/75/18/344717518.db2.gz LDLCWDVQCGLHBL-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000082321806 344750311 /nfs/dbraw/zinc/75/03/11/344750311.db2.gz PCBHVAKHMGLOJR-CQSZACIVSA-N 0 1 244.338 2.060 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000153115963 344753396 /nfs/dbraw/zinc/75/33/96/344753396.db2.gz LHPXSRFTYLZXDR-JMJZKYOTSA-N 0 1 221.304 2.171 20 0 BEADMN CN(C)c1ccccc1C[N@H+]1CCCC[C@H]1CO ZINC000075636776 344781899 /nfs/dbraw/zinc/78/18/99/344781899.db2.gz ZAQPNBYOCPDHMQ-AWEZNQCLSA-N 0 1 248.370 2.099 20 0 BEADMN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ncc[nH]1 ZINC000138898843 537859717 /nfs/dbraw/zinc/85/97/17/537859717.db2.gz JEBAWANTLKLRIR-ZJUUUORDSA-N 0 1 237.347 2.406 20 0 BEADMN C[C@@H]1CN(Cc2cccnc2)C[C@H](C)S1 ZINC000075891182 344786730 /nfs/dbraw/zinc/78/67/30/344786730.db2.gz CGXAONFUGWVOMN-PHIMTYICSA-N 0 1 222.357 2.407 20 0 BEADMN C[C@H]1CN(Cc2cccnc2)C[C@H](C)S1 ZINC000075891184 344786986 /nfs/dbraw/zinc/78/69/86/344786986.db2.gz CGXAONFUGWVOMN-QWRGUYRKSA-N 0 1 222.357 2.407 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)on1 ZINC000075894661 344787274 /nfs/dbraw/zinc/78/72/74/344787274.db2.gz SVKCAVDROOEVSS-NXEZZACHSA-N 0 1 226.345 2.309 20 0 BEADMN CC[N@@H+](CC1CC1)[C@H](C)c1nc(COC)no1 ZINC000181872920 347075736 /nfs/dbraw/zinc/07/57/36/347075736.db2.gz YPQKMZKCBPFIFH-SECBINFHSA-N 0 1 239.319 2.009 20 0 BEADMN CCN(CC1CC1)[C@H](C)c1nc(COC)no1 ZINC000181872920 347075739 /nfs/dbraw/zinc/07/57/39/347075739.db2.gz YPQKMZKCBPFIFH-SECBINFHSA-N 0 1 239.319 2.009 20 0 BEADMN CC1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000075841393 344792832 /nfs/dbraw/zinc/79/28/32/344792832.db2.gz JNDDRDXQYKAPBK-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@@H](C)C2)o1 ZINC000076110949 344794850 /nfs/dbraw/zinc/79/48/50/344794850.db2.gz ZVIIECGSOHKSOY-UWVGGRQHSA-N 0 1 223.320 2.281 20 0 BEADMN C[C@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@@H]1C ZINC000076110937 344795040 /nfs/dbraw/zinc/79/50/40/344795040.db2.gz YRRFQHTYCGBYCA-UWVGGRQHSA-N 0 1 247.298 2.417 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@@H](C)C2)oc1C ZINC000076111391 344795847 /nfs/dbraw/zinc/79/58/47/344795847.db2.gz MQQOSJKIWWEESP-IUCAKERBSA-N 0 1 208.305 2.379 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)[C@H](C)C2)o1 ZINC000076112169 344796361 /nfs/dbraw/zinc/79/63/61/344796361.db2.gz LLUAORQTCXITPO-YIZRAAEISA-N 0 1 209.293 2.027 20 0 BEADMN C[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@@H]1C ZINC000076114183 344797024 /nfs/dbraw/zinc/79/70/24/344797024.db2.gz LGNHNAQIAMHCCG-UWVGGRQHSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@@H]1CN(C2CC2)CCN1C(=O)C[C@@H]1C=CCC1 ZINC001638815953 1172047650 /nfs/dbraw/zinc/04/76/50/1172047650.db2.gz JDMJZHRDEGTGEW-CHWSQXEVSA-N 0 1 248.370 2.038 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628143187 344812664 /nfs/dbraw/zinc/81/26/64/344812664.db2.gz DUPOZRWELMWBOL-LLVKDONJSA-N 0 1 236.315 2.163 20 0 BEADMN COCc1noc(CN(CC(C)C)C(C)C)n1 ZINC000182044639 347082436 /nfs/dbraw/zinc/08/24/36/347082436.db2.gz BUWDXEDFNKNIIA-UHFFFAOYSA-N 0 1 241.335 2.082 20 0 BEADMN C[C@@](CO)(NCc1ccon1)C1CCCCC1 ZINC000077656143 344825201 /nfs/dbraw/zinc/82/52/01/344825201.db2.gz USMFPJNINMNVEN-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN C[C@H](F)CCN1CCC(=O)CC12CCC2 ZINC000574412009 344844090 /nfs/dbraw/zinc/84/40/90/344844090.db2.gz YNRHDZSWXOVBSE-JTQLQIEISA-N 0 1 213.296 2.322 20 0 BEADMN COC(C)(C)C[C@@H](C)NCc1ncc(C)o1 ZINC000234566855 537869084 /nfs/dbraw/zinc/86/90/84/537869084.db2.gz RJDDDDJYSUXWGT-SECBINFHSA-N 0 1 226.320 2.276 20 0 BEADMN CCC[C@H](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153560801 344905762 /nfs/dbraw/zinc/90/57/62/344905762.db2.gz VFIWHPUUCIJYAX-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN C[N@H+]1CCN(Cc2cnc(C3CC3)o2)C(C)(C)C1 ZINC000628177351 344905929 /nfs/dbraw/zinc/90/59/29/344905929.db2.gz VINMSGWCNFUTFN-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CN1CCN(Cc2cnc(C3CC3)o2)C(C)(C)C1 ZINC000628177351 344905931 /nfs/dbraw/zinc/90/59/31/344905931.db2.gz VINMSGWCNFUTFN-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CC(=O)N1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000119714605 187294373 /nfs/dbraw/zinc/29/43/73/187294373.db2.gz UCULFVFPSUFOKJ-ZDUSSCGKSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1nccc(N(C)CCCCO)c1Cl ZINC000355650543 192081800 /nfs/dbraw/zinc/08/18/00/192081800.db2.gz IXEQWFWGKIIZJB-UHFFFAOYSA-N 0 1 228.723 2.252 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000628179102 344913808 /nfs/dbraw/zinc/91/38/08/344913808.db2.gz NZQNJNLAZPBEIF-MWLCHTKSSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000628179658 344915777 /nfs/dbraw/zinc/91/57/77/344915777.db2.gz JPZRSERYJYDDEP-NWDGAFQWSA-N 0 1 236.363 2.453 20 0 BEADMN Cc1c[nH]c(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000628189612 344942204 /nfs/dbraw/zinc/94/22/04/344942204.db2.gz HGOPNIMKVJGYKE-JTQLQIEISA-N 0 1 207.321 2.339 20 0 BEADMN Cc1nc(CN2CCC[C@H]3COCC[C@@H]32)[nH]c1C ZINC000628189995 344942279 /nfs/dbraw/zinc/94/22/79/344942279.db2.gz SISYUFCSOOVPTI-STQMWFEESA-N 0 1 249.358 2.027 20 0 BEADMN Cc1ncc(CN2CC[C@H](OCC(C)C)C2)o1 ZINC000628190689 344944112 /nfs/dbraw/zinc/94/41/12/344944112.db2.gz NBBNAQXRXXNYKA-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1nc(CN2[C@@H](C)CC[C@@H]2C)[nH]c1C ZINC000628191068 344944982 /nfs/dbraw/zinc/94/49/82/344944982.db2.gz YFIKZTQXKFBSAZ-IUCAKERBSA-N 0 1 207.321 2.399 20 0 BEADMN CCC1CC(N[C@H]2CCCn3nc(C)nc32)C1 ZINC000336386184 168513719 /nfs/dbraw/zinc/51/37/19/168513719.db2.gz PRYKONLKCRCXCK-MCIGGMRASA-N 0 1 234.347 2.200 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000154671351 345046698 /nfs/dbraw/zinc/04/66/98/345046698.db2.gz SYHGBFTVBRPRIR-GJZGRUSLSA-N 0 1 248.370 2.373 20 0 BEADMN CCc1cc(C(=O)N(C(C)C)C2CCC2)n[nH]1 ZINC000154220246 345021340 /nfs/dbraw/zinc/02/13/40/345021340.db2.gz PRMIDCAQVVVJQA-UHFFFAOYSA-N 0 1 235.331 2.375 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000079996019 345074021 /nfs/dbraw/zinc/07/40/21/345074021.db2.gz LHARPJXPTRJVFI-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000154893637 345055704 /nfs/dbraw/zinc/05/57/04/345055704.db2.gz CXERPHCDOXXRRM-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN O=C(c1cc(C2CCCCC2)n[nH]1)N1CCCO1 ZINC000155726247 345098234 /nfs/dbraw/zinc/09/82/34/345098234.db2.gz CFHZDLABVFCFFT-UHFFFAOYSA-N 0 1 249.314 2.235 20 0 BEADMN FC1(F)CC(CCNCc2ccon2)C1 ZINC000634983736 345166984 /nfs/dbraw/zinc/16/69/84/345166984.db2.gz XOHABLUDFJFWJP-UHFFFAOYSA-N 0 1 216.231 2.200 20 0 BEADMN c1cc(CNCC2(c3ccccc3)CC2)no1 ZINC000634952312 345128237 /nfs/dbraw/zinc/12/82/37/345128237.db2.gz VMZNNWSBWQPUOQ-UHFFFAOYSA-N 0 1 228.295 2.496 20 0 BEADMN C[C@H](CNCc1ccon1)N(C)c1ccccc1 ZINC000634952831 345128557 /nfs/dbraw/zinc/12/85/57/345128557.db2.gz KHIDOUZXUMFVMB-GFCCVEGCSA-N 0 1 245.326 2.289 20 0 BEADMN C[C@@H](Cc1cccc(O)c1)NCc1ccon1 ZINC000634959370 345133049 /nfs/dbraw/zinc/13/30/49/345133049.db2.gz ORUCUYKQENKVIF-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN COc1cc(CCNCc2ccon2)ccc1C ZINC000634963557 345137711 /nfs/dbraw/zinc/13/77/11/345137711.db2.gz WTARVOPONQCJPA-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN c1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)no1 ZINC000634964145 345137848 /nfs/dbraw/zinc/13/78/48/345137848.db2.gz PBTICDHLQNFUNN-TZMCWYRMSA-N 0 1 228.295 2.395 20 0 BEADMN c1cc(CN[C@H]2C[C@H]2Cc2ccccc2)no1 ZINC000634964144 345137965 /nfs/dbraw/zinc/13/79/65/345137965.db2.gz PBTICDHLQNFUNN-OCCSQVGLSA-N 0 1 228.295 2.395 20 0 BEADMN CCO[C@H](CCNCc1ccon1)C(C)C ZINC000634966595 345139434 /nfs/dbraw/zinc/13/94/34/345139434.db2.gz SACVFSNNAUPPAR-GFCCVEGCSA-N 0 1 226.320 2.215 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCCO2)nc1 ZINC000156304198 345146470 /nfs/dbraw/zinc/14/64/70/345146470.db2.gz RBIBPOWIRAOMJI-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)C(C)(C)C ZINC000582129244 345147194 /nfs/dbraw/zinc/14/71/94/345147194.db2.gz OZSRLPRWWCDHIL-NXEZZACHSA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156383056 345151517 /nfs/dbraw/zinc/15/15/17/345151517.db2.gz GPNDFLYAYSGDTI-VIFPVBQESA-N 0 1 244.298 2.000 20 0 BEADMN C[C@H](CNCc1ccon1)c1nccs1 ZINC000634975920 345152294 /nfs/dbraw/zinc/15/22/94/345152294.db2.gz JXCXOJOLVHZBQL-MRVPVSSYSA-N 0 1 223.301 2.024 20 0 BEADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000635059160 345232832 /nfs/dbraw/zinc/23/28/32/345232832.db2.gz QAHYIQIRRWJJIW-VXGBXAGGSA-N 0 1 241.294 2.176 20 0 BEADMN Cc1cccc(NC(=O)[C@@H](C)N(C)C)c1C ZINC000635061791 345233332 /nfs/dbraw/zinc/23/33/32/345233332.db2.gz KXDUZEZVAFJIIZ-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1Cl)N(C)C ZINC000635061107 345233522 /nfs/dbraw/zinc/23/35/22/345233522.db2.gz OMUJWMDRUPEVPC-MRVPVSSYSA-N 0 1 226.707 2.229 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000635061081 345233603 /nfs/dbraw/zinc/23/36/03/345233603.db2.gz NYOASWIGIKHLNC-VXGBXAGGSA-N 0 1 241.294 2.460 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCC[C@H]2C)o1 ZINC000380272137 345252370 /nfs/dbraw/zinc/25/23/70/345252370.db2.gz WQMWJZHEJZRDRD-KHQFGBGNSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cnccc2N)o1 ZINC000635006475 345210524 /nfs/dbraw/zinc/21/05/24/345210524.db2.gz BNAMEDXYQAJEOW-SNVBAGLBSA-N 0 1 231.299 2.246 20 0 BEADMN C[C@H](C(=O)N[C@H](c1ccccc1)C1CC1)N(C)C ZINC000635170052 345263321 /nfs/dbraw/zinc/26/33/21/345263321.db2.gz HBTWVBJTXHITFX-BXUZGUMPSA-N 0 1 246.354 2.204 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635188653 345267795 /nfs/dbraw/zinc/26/77/95/345267795.db2.gz KTPKGQXEUOZZML-YPMHNXCESA-N 0 1 238.375 2.308 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635229352 345279061 /nfs/dbraw/zinc/27/90/61/345279061.db2.gz NKQOYEMXJWFAMT-NNYUYHANSA-N 0 1 247.342 2.208 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635229350 345279221 /nfs/dbraw/zinc/27/92/21/345279221.db2.gz NKQOYEMXJWFAMT-DDHJBXDOSA-N 0 1 247.342 2.208 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC000635229952 345279356 /nfs/dbraw/zinc/27/93/56/345279356.db2.gz SSHYLQCGYBMCDU-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CCc1cnc(CN[C@H](COC)C(C)C)s1 ZINC000130600672 345280597 /nfs/dbraw/zinc/28/05/97/345280597.db2.gz BCVKKXUQFHPESY-LLVKDONJSA-N 0 1 242.388 2.466 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635236642 345281197 /nfs/dbraw/zinc/28/11/97/345281197.db2.gz WVGQWBOGLYAVDK-HBNTYKKESA-N 0 1 235.331 2.016 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C(C)C)CC1 ZINC000635242078 345282436 /nfs/dbraw/zinc/28/24/36/345282436.db2.gz XYGLMILZOTVHJM-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635267857 345291177 /nfs/dbraw/zinc/29/11/77/345291177.db2.gz TZIQGSLMAXFTRB-IJLUTSLNSA-N 0 1 247.342 2.162 20 0 BEADMN CCc1cccc(C)c1NC(=O)[C@@H](C)N(C)C ZINC000635396422 345343290 /nfs/dbraw/zinc/34/32/90/345343290.db2.gz JYOPMJNLTGRKSS-LLVKDONJSA-N 0 1 234.343 2.446 20 0 BEADMN C[N@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000158537100 345346319 /nfs/dbraw/zinc/34/63/19/345346319.db2.gz ALKVVGKJFVLZBZ-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CC(C)[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC000635425088 345362789 /nfs/dbraw/zinc/36/27/89/345362789.db2.gz LMROQLOMIAVMCV-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN CCC(CC)N(C(=O)[C@@H](C)N(C)C)C1CC1 ZINC000635474352 345386631 /nfs/dbraw/zinc/38/66/31/345386631.db2.gz YZIIINIKFUEHAK-SNVBAGLBSA-N 0 1 226.364 2.116 20 0 BEADMN CCCC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635487228 345395490 /nfs/dbraw/zinc/39/54/90/345395490.db2.gz LGZXQAZDTYWHDH-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)[C@H]1CCCC[C@@H]1C ZINC000635492952 345396024 /nfs/dbraw/zinc/39/60/24/345396024.db2.gz JZRKZTXCYUQTAY-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC(C)C ZINC000159045105 345402863 /nfs/dbraw/zinc/40/28/63/345402863.db2.gz IXCABNIJEMXLNF-UHFFFAOYSA-N 0 1 223.320 2.227 20 0 BEADMN CC(C)c1cc(C(=O)N(C)C(C)C)n[nH]1 ZINC000081639941 345488730 /nfs/dbraw/zinc/48/87/30/345488730.db2.gz KODPLULSTRZKRE-UHFFFAOYSA-N 0 1 209.293 2.014 20 0 BEADMN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](C)N(C)C)c1 ZINC000635536126 345489526 /nfs/dbraw/zinc/48/95/26/345489526.db2.gz SQOMIZQVUMFLMD-CHWSQXEVSA-N 0 1 248.370 2.431 20 0 BEADMN COCCCN(C)Cc1nc2c(s1)CCC2 ZINC000678820725 488287423 /nfs/dbraw/zinc/28/74/23/488287423.db2.gz RODSUOKAERTOGL-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2CC[C@@H](C)C2)[nH]1 ZINC000182285085 323090190 /nfs/dbraw/zinc/09/01/90/323090190.db2.gz YPNICEFWGANNSR-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2CC[C@@H](C)C2)n1 ZINC000182285085 323090191 /nfs/dbraw/zinc/09/01/91/323090191.db2.gz YPNICEFWGANNSR-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN C=Cn1cc(CNCc2ccc(F)cc2)cn1 ZINC000194340716 192089155 /nfs/dbraw/zinc/08/91/55/192089155.db2.gz UJVYHZIFVGRMLS-UHFFFAOYSA-N 0 1 231.274 2.413 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2ccn(C)n2)CS1 ZINC000336693211 187307347 /nfs/dbraw/zinc/30/73/47/187307347.db2.gz XRPDFBRRRCCXGO-RYUDHWBXSA-N 0 1 239.388 2.040 20 0 BEADMN C[C@H](c1ccco1)N(CCn1cncn1)C1CC1 ZINC000086234162 345536583 /nfs/dbraw/zinc/53/65/83/345536583.db2.gz ZHCLOXDMPJGSFM-LLVKDONJSA-N 0 1 246.314 2.097 20 0 BEADMN C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCO)C1 ZINC000177821479 187307136 /nfs/dbraw/zinc/30/71/36/187307136.db2.gz LQDAUKOSIDKBDF-MFKMUULPSA-N 0 1 223.291 2.201 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C(C)C)ccc12 ZINC000091827027 345611075 /nfs/dbraw/zinc/61/10/75/345611075.db2.gz XBAGWELGXWFYHT-UHFFFAOYSA-N 0 1 217.272 2.466 20 0 BEADMN Cc1csc(CN[C@@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000336728573 187308201 /nfs/dbraw/zinc/30/82/01/187308201.db2.gz CPRCTNZRYJLYDK-GHMZBOCLSA-N 0 1 239.388 2.024 20 0 BEADMN COC[C@H](C)NCc1ccc(SC)o1 ZINC000641701517 362614485 /nfs/dbraw/zinc/61/44/85/362614485.db2.gz SSBYZRNTNAADKU-QMMMGPOBSA-N 0 1 215.318 2.126 20 0 BEADMN CCOCCNCc1ccc(SC)o1 ZINC000641708531 362617012 /nfs/dbraw/zinc/61/70/12/362617012.db2.gz TWPVGQOCJNQWSQ-UHFFFAOYSA-N 0 1 215.318 2.128 20 0 BEADMN CN(CC(=O)N(C)c1cccnc1)CC(C)(C)C ZINC000635554833 345695720 /nfs/dbraw/zinc/69/57/20/345695720.db2.gz USUJZGDBJZSUFZ-UHFFFAOYSA-N 0 1 249.358 2.022 20 0 BEADMN OC[C@@H]1c2ccccc2CCN1Cc1ccco1 ZINC000093455192 345671748 /nfs/dbraw/zinc/67/17/48/345671748.db2.gz KXNYDIDGXLAJRI-OAHLLOKOSA-N 0 1 243.306 2.371 20 0 BEADMN OC[C@H]1c2ccccc2CCN1Cc1ccco1 ZINC000093455193 345672102 /nfs/dbraw/zinc/67/21/02/345672102.db2.gz KXNYDIDGXLAJRI-HNNXBMFYSA-N 0 1 243.306 2.371 20 0 BEADMN Cc1ccc(C)c(SCc2nn[nH]n2)c1 ZINC000095322551 345685742 /nfs/dbraw/zinc/68/57/42/345685742.db2.gz ZGQYVKNCRIITAL-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN C[N@@H+](CC1(C(=O)[O-])CC1)C1CCCCC1 ZINC000215583265 345742908 /nfs/dbraw/zinc/74/29/08/345742908.db2.gz HNOMJBQHQCAXNO-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CC)C1 ZINC000216637934 345743609 /nfs/dbraw/zinc/74/36/09/345743609.db2.gz FKSVZXVOVDTFGO-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635556621 345707863 /nfs/dbraw/zinc/70/78/63/345707863.db2.gz JORLDFHUUPBSMO-GHMZBOCLSA-N 0 1 247.342 2.162 20 0 BEADMN C(=C\c1ccccc1)\CCN1CCOCC1 ZINC000144695868 345709813 /nfs/dbraw/zinc/70/98/13/345709813.db2.gz NXPQDGNOOXXYND-YWEYNIOJSA-N 0 1 217.312 2.422 20 0 BEADMN COc1ccncc1CN1CCCCC1 ZINC000149319589 345715980 /nfs/dbraw/zinc/71/59/80/345715980.db2.gz NQGLZURNOWZPPU-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN CCCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000197359715 345725489 /nfs/dbraw/zinc/72/54/89/345725489.db2.gz BOAMAQRDBJOEOQ-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccnc1 ZINC000204500436 345732135 /nfs/dbraw/zinc/73/21/35/345732135.db2.gz SGWMUNSBOHDMKG-LBPRGKRZSA-N 0 1 236.315 2.013 20 0 BEADMN CCC1CCN(Cc2cnc(C)nc2)CC1 ZINC000205996638 345733271 /nfs/dbraw/zinc/73/32/71/345733271.db2.gz GUZMQFWVYKRHBG-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN CCCCOCCNCc1cnc(C2CC2)o1 ZINC000628210041 345810475 /nfs/dbraw/zinc/81/04/75/345810475.db2.gz DXFBRWJNOOTNKJ-UHFFFAOYSA-N 0 1 238.331 2.458 20 0 BEADMN C[C@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)N(C)C ZINC000635567855 345823842 /nfs/dbraw/zinc/82/38/42/345823842.db2.gz DOXFEJGMAKVOGS-YNEHKIRRSA-N 0 1 240.391 2.269 20 0 BEADMN COCCCN1CCOc2cc(F)ccc2C1 ZINC000626152368 345781744 /nfs/dbraw/zinc/78/17/44/345781744.db2.gz ORGCMPIFEQDWDA-UHFFFAOYSA-N 0 1 239.290 2.057 20 0 BEADMN CC[C@H](F)CN[C@@H](CO)c1ccccc1C ZINC000381399313 345802596 /nfs/dbraw/zinc/80/25/96/345802596.db2.gz QLVPZDWFIOJQLD-AAEUAGOBSA-N 0 1 225.307 2.366 20 0 BEADMN Cc1cccc([C@@H](C)NC(=O)[C@@H](C)N(C)C)c1C ZINC000635572805 345826284 /nfs/dbraw/zinc/82/62/84/345826284.db2.gz PLTFEEQZGQJLKD-CHWSQXEVSA-N 0 1 248.370 2.431 20 0 BEADMN CCC(CC)(CC)NC(=O)[C@@H](C)N(C)C ZINC000635607085 345890507 /nfs/dbraw/zinc/89/05/07/345890507.db2.gz NMIDUXITFJXMNH-SNVBAGLBSA-N 0 1 214.353 2.022 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635583933 345879690 /nfs/dbraw/zinc/87/96/90/345879690.db2.gz BTAKJLKARQGOSM-JHJVBQTASA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)N(C(=O)[C@@H]1CCCCN1C)C1CCC1 ZINC000635595795 345881759 /nfs/dbraw/zinc/88/17/59/345881759.db2.gz KXBNNKLDDZDLQT-ZDUSSCGKSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]1c1ccccc1)N(C)C ZINC000635625677 345899217 /nfs/dbraw/zinc/89/92/17/345899217.db2.gz VXECUHNNQDMIGJ-BZPMIXESSA-N 0 1 246.354 2.156 20 0 BEADMN CC(C)Cc1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000094904606 187360798 /nfs/dbraw/zinc/36/07/98/187360798.db2.gz DTEHOMLKHKQEME-UHFFFAOYSA-N 0 1 235.327 2.402 20 0 BEADMN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635632864 345910704 /nfs/dbraw/zinc/91/07/04/345910704.db2.gz VEZKOZDZOZMUMA-WRWGMCAJSA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000635635850 345910875 /nfs/dbraw/zinc/91/08/75/345910875.db2.gz UDVMCYPUAFPQLF-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)N(C)C ZINC000635641749 345914343 /nfs/dbraw/zinc/91/43/43/345914343.db2.gz WRXMFZQLTGEYRO-FRRDWIJNSA-N 0 1 248.370 2.245 20 0 BEADMN CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000143949342 345914538 /nfs/dbraw/zinc/91/45/38/345914538.db2.gz UIYMOHHIYZAWAE-JTQLQIEISA-N 0 1 235.331 2.451 20 0 BEADMN COC[C@H](C)CNCc1nnc(C(C)C)s1 ZINC000381457799 345939882 /nfs/dbraw/zinc/93/98/82/345939882.db2.gz JYWJQVLENZMRGY-SECBINFHSA-N 0 1 243.376 2.034 20 0 BEADMN CCC1(CNC(=O)[C@@H]2CCCCN2C)CCC1 ZINC000635661722 345942892 /nfs/dbraw/zinc/94/28/92/345942892.db2.gz QCGDGRVZTWVRRJ-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCC1 ZINC000635676522 345973154 /nfs/dbraw/zinc/97/31/54/345973154.db2.gz XYQFLCZXEMOYGK-DGCLKSJQSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635677812 345974845 /nfs/dbraw/zinc/97/48/45/345974845.db2.gz WAOVXGBIGQRDOX-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635677813 345974908 /nfs/dbraw/zinc/97/49/08/345974908.db2.gz WAOVXGBIGQRDOX-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300225692 345994690 /nfs/dbraw/zinc/99/46/90/345994690.db2.gz UJBUMIAKGDHEGY-ZYHUDNBSSA-N 0 1 213.321 2.218 20 0 BEADMN COCC1(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000381468476 345987863 /nfs/dbraw/zinc/98/78/63/345987863.db2.gz NIIZQIZEVWNEOF-SECBINFHSA-N 0 1 224.279 2.050 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635705445 345991472 /nfs/dbraw/zinc/99/14/72/345991472.db2.gz WXZYIYNCMXONCG-JHJVBQTASA-N 0 1 240.391 2.364 20 0 BEADMN CC1(C)CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635758465 346051878 /nfs/dbraw/zinc/05/18/78/346051878.db2.gz RATVUHYYZBBFPG-GMTAPVOTSA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000635722124 346030669 /nfs/dbraw/zinc/03/06/69/346030669.db2.gz CSRWUKFTRNLVES-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1CCCCN1C ZINC000635815676 346071629 /nfs/dbraw/zinc/07/16/29/346071629.db2.gz FXZPKNGOTPVOQI-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635810464 346073874 /nfs/dbraw/zinc/07/38/74/346073874.db2.gz XFUNLUQMIIWRKA-MVWJERBFSA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)=C(C)CC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000635841302 346083547 /nfs/dbraw/zinc/08/35/47/346083547.db2.gz RFVZRJDOHHIVEO-UHFFFAOYSA-N 0 1 248.330 2.047 20 0 BEADMN CCc1ncc(CNC(=O)[C@@]2(C)CCC[C@H]2C)[nH]1 ZINC001639097830 1172073739 /nfs/dbraw/zinc/07/37/39/1172073739.db2.gz QNMMKAWHBPZTKY-YGRLFVJLSA-N 0 1 249.358 2.415 20 0 BEADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1(C)CCCC1 ZINC000635869841 346092295 /nfs/dbraw/zinc/09/22/95/346092295.db2.gz SOINECJOXSJEIF-GHMZBOCLSA-N 0 1 247.342 2.304 20 0 BEADMN CC[C@@H]1CN(C2CCCC2)C[C@@H](C)[S@@]1=O ZINC000586779057 346099796 /nfs/dbraw/zinc/09/97/96/346099796.db2.gz VEXUBPHBWYANSZ-HCKVZZMMSA-N 0 1 229.389 2.160 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)CC1CCCCC1)N(C)C ZINC000635880128 346100086 /nfs/dbraw/zinc/10/00/86/346100086.db2.gz HEIQLCIYHSNGBT-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CC1=C(C)CN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000635886193 346102335 /nfs/dbraw/zinc/10/23/35/346102335.db2.gz OJPSDLTZFIILDC-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635892859 346104147 /nfs/dbraw/zinc/10/41/47/346104147.db2.gz DMEAZWMIQCALAB-WRWGMCAJSA-N 0 1 247.342 2.066 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000635892977 346104211 /nfs/dbraw/zinc/10/42/11/346104211.db2.gz HEICFCZYKSZFEL-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C2CCC=CCC2)n[nH]1 ZINC000635927077 346117214 /nfs/dbraw/zinc/11/72/14/346117214.db2.gz WDGLLIOUSZTJJF-VIFPVBQESA-N 0 1 248.330 2.037 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H](C)C(C)C ZINC000635940859 346124528 /nfs/dbraw/zinc/12/45/28/346124528.db2.gz AAISOWVPCCGWED-IJLUTSLNSA-N 0 1 249.358 2.406 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](C)N(C)C ZINC000635978936 346129238 /nfs/dbraw/zinc/12/92/38/346129238.db2.gz XMRINLKFWVPFGL-JHJVBQTASA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635980180 346145512 /nfs/dbraw/zinc/14/55/12/346145512.db2.gz PGRAXCKBNKGYQU-TZMCWYRMSA-N 0 1 240.391 2.364 20 0 BEADMN CCC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCC1 ZINC000635981510 346146365 /nfs/dbraw/zinc/14/63/65/346146365.db2.gz SVOYFMSRNCOQDM-GHMZBOCLSA-N 0 1 247.342 2.352 20 0 BEADMN CC[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000636002269 346151279 /nfs/dbraw/zinc/15/12/79/346151279.db2.gz XWBLTZKHXFCQQE-ZYHUDNBSSA-N 0 1 226.364 2.022 20 0 BEADMN CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC(C)(C)C1 ZINC000636019898 346158465 /nfs/dbraw/zinc/15/84/65/346158465.db2.gz NDWRLMNLCPDSDS-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN CN(C(=O)[C@@H]1CCCCN1C)C1CC(C)(C)C1 ZINC000636019898 346158466 /nfs/dbraw/zinc/15/84/66/346158466.db2.gz NDWRLMNLCPDSDS-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1ccc(CCOCCc2c[nH]nn2)cc1 ZINC000419056497 192098682 /nfs/dbraw/zinc/09/86/82/192098682.db2.gz RCLKDBSUWKUKEC-UHFFFAOYSA-N 0 1 245.326 2.169 20 0 BEADMN CCN(Cc1ccccc1)[C@@H](C)C(=O)NC1CC1 ZINC000151030635 346212612 /nfs/dbraw/zinc/21/26/12/346212612.db2.gz HUPRONBZCPKZAJ-LBPRGKRZSA-N 0 1 246.354 2.176 20 0 BEADMN c1nc(C2CC2)oc1CN1CCCSCC1 ZINC000628234707 346187586 /nfs/dbraw/zinc/18/75/86/346187586.db2.gz KPGBHYVWJOLSQG-UHFFFAOYSA-N 0 1 238.356 2.491 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1cnc(C2CC2)o1 ZINC000628237164 346193454 /nfs/dbraw/zinc/19/34/54/346193454.db2.gz DFNIPOYJDZAIKV-ZANVPECISA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ncc(CN[C@@]2(C)CCO[C@@H]2C2CC2)o1 ZINC000628237488 346193464 /nfs/dbraw/zinc/19/34/64/346193464.db2.gz OWGPMIAFEPIHGN-OLZOCXBDSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1oc(C[N@H+](C)CC[C@H](C)F)cc1C(=O)[O-] ZINC000563282809 323108136 /nfs/dbraw/zinc/10/81/36/323108136.db2.gz TUWYDYPXWBEVNM-QMMMGPOBSA-N 0 1 243.278 2.466 20 0 BEADMN Cc1c[nH]c(CN(C)C2(C)CCCC2)n1 ZINC000628254210 346235132 /nfs/dbraw/zinc/23/51/32/346235132.db2.gz RXQCMASZSVJKQB-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN Cc1nc(C)c(CNC2CC(F)(F)C2)o1 ZINC000628252156 346224210 /nfs/dbraw/zinc/22/42/10/346224210.db2.gz JNAURELDGOPVAS-UHFFFAOYSA-N 0 1 216.231 2.179 20 0 BEADMN Cc1cccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000336369452 179012261 /nfs/dbraw/zinc/01/22/61/179012261.db2.gz PXPOQHGQHWFJJS-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN CC1(C)C[N@@H+](CC[C@H]2CCCCO2)CCO1 ZINC000334317932 187317078 /nfs/dbraw/zinc/31/70/78/187317078.db2.gz VQEKEMWTPMAJEA-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN COCc1cc(CNCCCCSC)no1 ZINC000603419843 349946378 /nfs/dbraw/zinc/94/63/78/349946378.db2.gz BCCGTHKAUSQCNL-UHFFFAOYSA-N 0 1 244.360 2.054 20 0 BEADMN Cc1cnc(CNCCc2ccncc2C)o1 ZINC000397540493 346252302 /nfs/dbraw/zinc/25/23/02/346252302.db2.gz VOHWNIHHFUGTHK-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CO[C@]1(C)CCCN(Cc2nc(C)c[nH]2)CC1 ZINC000628256157 346253677 /nfs/dbraw/zinc/25/36/77/346253677.db2.gz LHWNWZWFUUJZMJ-CYBMUJFWSA-N 0 1 237.347 2.109 20 0 BEADMN COc1ccc(CNCCF)cc1OC1CC1 ZINC000628258806 346258782 /nfs/dbraw/zinc/25/87/82/346258782.db2.gz UFMZZYIWGDHSHO-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN Cc1cccc(C(=O)N2CCNC(C)(C)C2)c1C ZINC000148071384 179010179 /nfs/dbraw/zinc/01/01/79/179010179.db2.gz PNHIMOAXJWAZAK-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN Cc1nc(C)c(CN[C@@H]2CSC2(C)C)o1 ZINC000628265091 346266171 /nfs/dbraw/zinc/26/61/71/346266171.db2.gz PJWORADLQSNUER-SNVBAGLBSA-N 0 1 226.345 2.275 20 0 BEADMN OC[C@@]1(F)CCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628264836 346266307 /nfs/dbraw/zinc/26/63/07/346266307.db2.gz DPMFOYOMXPBKGR-CQSZACIVSA-N 0 1 248.301 2.074 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cnc(C3CC3)o2)C1 ZINC000628271927 346282205 /nfs/dbraw/zinc/28/22/05/346282205.db2.gz WLMUCLNYNWKEAE-PHIMTYICSA-N 0 1 236.315 2.161 20 0 BEADMN CCN1CCN(Cc2cnc(C3CC3)o2)[C@@H](C)C1 ZINC000628272009 346282420 /nfs/dbraw/zinc/28/24/20/346282420.db2.gz ACQAPBOLMNZNSH-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000191442032 259388487 /nfs/dbraw/zinc/38/84/87/259388487.db2.gz UWHFNNIRYMAOFL-PHIMTYICSA-N 0 1 236.363 2.406 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cn(C(C)(C)C)nn1 ZINC000191442032 259388489 /nfs/dbraw/zinc/38/84/89/259388489.db2.gz UWHFNNIRYMAOFL-PHIMTYICSA-N 0 1 236.363 2.406 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)c1ccco1 ZINC000636067033 346306154 /nfs/dbraw/zinc/30/61/54/346306154.db2.gz KXIIWLYRWZXSIS-SECBINFHSA-N 0 1 247.298 2.073 20 0 BEADMN Cc1ccc(CNCc2ccc(=O)[nH]c2)nc1C ZINC000631157078 346291261 /nfs/dbraw/zinc/29/12/61/346291261.db2.gz HJNNNAAWGOMUEE-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN FC(F)CN1CCC[C@H]1C1CCOCC1 ZINC000679158256 488314158 /nfs/dbraw/zinc/31/41/58/488314158.db2.gz RHOCOMHKZKWMBM-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cn[nH]c2C)c(C)o1 ZINC000636064933 346307710 /nfs/dbraw/zinc/30/77/10/346307710.db2.gz KFEOSJJWBQSFHU-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN CN(CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636063716 346308017 /nfs/dbraw/zinc/30/80/17/346308017.db2.gz UWXBGJGDXPNDLA-GHMZBOCLSA-N 0 1 249.358 2.408 20 0 BEADMN Cc1cc(C)c(C(=O)N(C)Cc2cn[nH]c2C)o1 ZINC000636067779 346308670 /nfs/dbraw/zinc/30/86/70/346308670.db2.gz XJCCQLPQWWXYKG-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC000636067810 346308769 /nfs/dbraw/zinc/30/87/69/346308769.db2.gz XWFROTQLJACEBE-SECBINFHSA-N 0 1 237.347 2.359 20 0 BEADMN CCC(C)(C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636076709 346312762 /nfs/dbraw/zinc/31/27/62/346312762.db2.gz GVZWJODIBSBPHI-UHFFFAOYSA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CC1CCCC1 ZINC000636076520 346313269 /nfs/dbraw/zinc/31/32/69/346313269.db2.gz UMUOILDBUZKWDB-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN CCc1nc(CNc2nc3ccccc3o2)n[nH]1 ZINC000294891750 346316526 /nfs/dbraw/zinc/31/65/26/346316526.db2.gz HDXDCZBDQPUIFB-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN Nc1cnccc1CNc1cc2c(cn1)CCC2 ZINC000641757007 362683177 /nfs/dbraw/zinc/68/31/77/362683177.db2.gz NNJLVBOCGZJHCC-UHFFFAOYSA-N 0 1 240.310 2.160 20 0 BEADMN C[C@H](C(=O)N1CCCC[C@@H]1C1CCC1)N(C)C ZINC000636110065 346322648 /nfs/dbraw/zinc/32/26/48/346322648.db2.gz CALBCUJAJHMJBC-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nc(CNc2ccncc2Cl)n[nH]1 ZINC000295063577 346354943 /nfs/dbraw/zinc/35/49/43/346354943.db2.gz ZHPYAVJSSOTGET-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N(C)C ZINC000636229647 346361835 /nfs/dbraw/zinc/36/18/35/346361835.db2.gz RTBUJZMPQODGMV-QJPTWQEYSA-N 0 1 226.364 2.116 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636237032 346364547 /nfs/dbraw/zinc/36/45/47/346364547.db2.gz CZFOACVSJYIKQW-HBNTYKKESA-N 0 1 247.342 2.018 20 0 BEADMN CSc1ccc(CN[C@H]2CO[C@@H](C)C2)o1 ZINC000641767491 362702871 /nfs/dbraw/zinc/70/28/71/362702871.db2.gz KOBYVSKXELYLAT-DTWKUNHWSA-N 0 1 227.329 2.269 20 0 BEADMN CC(C)CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000563372151 323121663 /nfs/dbraw/zinc/12/16/63/323121663.db2.gz WSRQQTOIBSEVIL-LLVKDONJSA-N 0 1 237.347 2.141 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@H](C)c1cccnc1 ZINC000020127939 259389242 /nfs/dbraw/zinc/38/92/42/259389242.db2.gz OPAAWIHVNMOWQK-SNVBAGLBSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nc(CN(C)Cc2cccc(C)c2)n[nH]1 ZINC000268245837 179068425 /nfs/dbraw/zinc/06/84/25/179068425.db2.gz BAJWZMXYIFACSB-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CCc1nc(CN[C@H](C)c2ccsc2)n[nH]1 ZINC000282449331 346404581 /nfs/dbraw/zinc/40/45/81/346404581.db2.gz IQXQUKUKYOFQBN-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN C[C@H](CC1CCOCC1)N[C@@H](C)C(F)F ZINC000641792204 362725864 /nfs/dbraw/zinc/72/58/64/362725864.db2.gz SBAMBRRHOSUSEO-BDAKNGLRSA-N 0 1 221.291 2.435 20 0 BEADMN COCC[C@@H]1CCC[C@H]1N[C@H](C)C(F)F ZINC000641792601 362727969 /nfs/dbraw/zinc/72/79/69/362727969.db2.gz XPFLMEGHMDPIGQ-KXUCPTDWSA-N 0 1 221.291 2.435 20 0 BEADMN C(CN1CCO[C@H]2CCC[C@@H]21)OCC1CCC1 ZINC000419198605 192102949 /nfs/dbraw/zinc/10/29/49/192102949.db2.gz CVRPEYMFXHKGCB-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN COC[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000641787674 362724111 /nfs/dbraw/zinc/72/41/11/362724111.db2.gz DKADRTOWESRTLR-WDEREUQCSA-N 0 1 233.315 2.020 20 0 BEADMN COC[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000641787461 362724248 /nfs/dbraw/zinc/72/42/48/362724248.db2.gz BFOMFIJCLSAFMO-DTWKUNHWSA-N 0 1 228.723 2.421 20 0 BEADMN O=C(CCC(F)F)Nc1nc(C2CCC2)n[nH]1 ZINC000684477147 488319530 /nfs/dbraw/zinc/31/95/30/488319530.db2.gz REBSKZJSGLEDEE-UHFFFAOYSA-N 0 1 244.245 2.056 20 0 BEADMN O=C(CCC(F)F)Nc1n[nH]c(C2CCC2)n1 ZINC000684477147 488319532 /nfs/dbraw/zinc/31/95/32/488319532.db2.gz REBSKZJSGLEDEE-UHFFFAOYSA-N 0 1 244.245 2.056 20 0 BEADMN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111255032 179082613 /nfs/dbraw/zinc/08/26/13/179082613.db2.gz AYVJNSFYUJBVSV-DGCLKSJQSA-N 0 1 233.311 2.148 20 0 BEADMN Cc1cccc(CNC[C@H](O)C(F)(F)F)c1 ZINC000070169048 179094656 /nfs/dbraw/zinc/09/46/56/179094656.db2.gz ZNCPAIOLGUYVCC-JTQLQIEISA-N 0 1 233.233 2.008 20 0 BEADMN Cc1cccc(CNCc2cnn(C)c2)c1 ZINC000020134388 179094974 /nfs/dbraw/zinc/09/49/74/179094974.db2.gz FSEYYVYSOOUGPC-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CCCc1cc(C(=O)N2OC3CCC2CC3)[nH]n1 ZINC000636408855 346486770 /nfs/dbraw/zinc/48/67/70/346486770.db2.gz QQLYDVCVQHXYBZ-UHFFFAOYSA-N 0 1 249.314 2.061 20 0 BEADMN Cc1cccc(Cl)c1CN(C)C[C@H](C)O ZINC000295246978 179108531 /nfs/dbraw/zinc/10/85/31/179108531.db2.gz VXKDBRZOVLQGCY-JTQLQIEISA-N 0 1 227.735 2.461 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CCCCO2)C[C@H]1F ZINC000679224899 488320969 /nfs/dbraw/zinc/32/09/69/488320969.db2.gz VCEFGRJALDOPDU-IJLUTSLNSA-N 0 1 215.312 2.235 20 0 BEADMN CSCCC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000563455508 323127308 /nfs/dbraw/zinc/12/73/08/323127308.db2.gz OIZIZVLBRKFMCE-HBNTYKKESA-N 0 1 245.388 2.313 20 0 BEADMN Cc1nsc(C)c1CN(C)C[C@@H]1CCCO1 ZINC000580325573 347096554 /nfs/dbraw/zinc/09/65/54/347096554.db2.gz RURQAWFSDCLARA-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCC1CC1 ZINC000580097445 346523160 /nfs/dbraw/zinc/52/31/60/346523160.db2.gz NDIPSRBJUXDCRO-SCVCMEIPSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)N(C)Cc1cn2c(n1)CCCC2 ZINC000336514433 187369671 /nfs/dbraw/zinc/36/96/71/187369671.db2.gz ZOAXVOVZKZHHTR-UHFFFAOYSA-N 0 1 207.321 2.060 20 0 BEADMN CCCCN(CCO)Cc1c(C)onc1CC ZINC000162816930 346539353 /nfs/dbraw/zinc/53/93/53/346539353.db2.gz JSURAZXAGWDZMC-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN C[C@H]1CCN(CCOC(C)(C)C)C[C@H]1F ZINC000679226351 488322211 /nfs/dbraw/zinc/32/22/11/488322211.db2.gz UFLLEXVPGZBTDF-WDEREUQCSA-N 0 1 217.328 2.481 20 0 BEADMN CCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589071620 346663271 /nfs/dbraw/zinc/66/32/71/346663271.db2.gz JUXKLRPNZSEMCB-UHFFFAOYSA-N 0 1 230.271 2.006 20 0 BEADMN COc1cccc(CN2CCCCC2)n1 ZINC000205026851 346671227 /nfs/dbraw/zinc/67/12/27/346671227.db2.gz ZQGHMGPSABYVTB-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN CC1CC(NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000580184332 346632416 /nfs/dbraw/zinc/63/24/16/346632416.db2.gz TYSFNZJCMYGPLY-UHFFFAOYSA-N 0 1 247.273 2.230 20 0 BEADMN Cc1nnc([C@@H](C)NCCCC(C)C)o1 ZINC000380064817 365837065 /nfs/dbraw/zinc/83/70/65/365837065.db2.gz BTQQTHIISBACJT-SECBINFHSA-N 0 1 211.309 2.465 20 0 BEADMN c1coc(CC[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000589634850 346720169 /nfs/dbraw/zinc/72/01/69/346720169.db2.gz HZGWZDZGWROBNS-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN Cc1cc(CNCc2[nH]nc3ccccc32)no1 ZINC000589644115 346724927 /nfs/dbraw/zinc/72/49/27/346724927.db2.gz CIVVRGKQTSLKEG-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN c1coc(CNc2cnn(-c3ccncc3)c2)c1 ZINC000589260231 346681299 /nfs/dbraw/zinc/68/12/99/346681299.db2.gz HAGDNNCMVUXUKD-UHFFFAOYSA-N 0 1 240.266 2.472 20 0 BEADMN Cc1cccc(NCCc2ccncc2)n1 ZINC000048262655 179147271 /nfs/dbraw/zinc/14/72/71/179147271.db2.gz WXKVUMVCKFNOEH-UHFFFAOYSA-N 0 1 213.284 2.440 20 0 BEADMN CCCc1cc(C(=O)N2CCC[C@@H]2CC)n[nH]1 ZINC000589950158 346756649 /nfs/dbraw/zinc/75/66/49/346756649.db2.gz ZAVMBXGUEONCJM-NSHDSACASA-N 0 1 235.331 2.377 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(C2CC2)CC1 ZINC000590006887 346762657 /nfs/dbraw/zinc/76/26/57/346762657.db2.gz XPIANGUYZUVXGY-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)C1(C)C ZINC000345366077 365865509 /nfs/dbraw/zinc/86/55/09/365865509.db2.gz YTOUHMZPTDWPBM-FIQHERPVSA-N 0 1 249.358 2.292 20 0 BEADMN CC1(C)CC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000378680255 346805440 /nfs/dbraw/zinc/80/54/40/346805440.db2.gz RVKPXQTXJIRACN-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN CC1(C)CC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000378680255 346805442 /nfs/dbraw/zinc/80/54/42/346805442.db2.gz RVKPXQTXJIRACN-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN Cc1cccc([C@@H](C)C(=O)NCc2cnc[nH]2)c1 ZINC000359131923 179179115 /nfs/dbraw/zinc/17/91/15/179179115.db2.gz MUDJSEBSPRWLDN-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCCF)C1 ZINC000184450513 347163208 /nfs/dbraw/zinc/16/32/08/347163208.db2.gz LCMXXDKOVSBFCV-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN CCn1ncnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000193359873 259394187 /nfs/dbraw/zinc/39/41/87/259394187.db2.gz UNKHEEPRKRVMGC-NEPJUHHUSA-N 0 1 234.347 2.063 20 0 BEADMN CCc1cnc(CNC[C@@]2(C)CCCO2)s1 ZINC000309641815 347128475 /nfs/dbraw/zinc/12/84/75/347128475.db2.gz KYKOQLUKZWMDAX-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN Cc1cccc([C@@H](C)NCc2cnnn2C)c1C ZINC000267519493 179182798 /nfs/dbraw/zinc/18/27/98/179182798.db2.gz NCWPMJIIXGITFN-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN C[N@H+](CCc1ccccc1)Cc1ncccc1[O-] ZINC000582089619 347201503 /nfs/dbraw/zinc/20/15/03/347201503.db2.gz OFRFRXGLMGQKNN-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN C[N@@H+](CCc1ccccc1)Cc1ncccc1[O-] ZINC000582089619 347201504 /nfs/dbraw/zinc/20/15/04/347201504.db2.gz OFRFRXGLMGQKNN-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN CC1(CC(=O)N2CCc3nc[nH]c3C2)CCCC1 ZINC000627372375 347218747 /nfs/dbraw/zinc/21/87/47/347218747.db2.gz KUBNSJXMEQIINK-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000382204714 347231958 /nfs/dbraw/zinc/23/19/58/347231958.db2.gz ZWJAMDUHEXVOFT-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)c2cccc(C)c2)[nH]1 ZINC000121212143 179193004 /nfs/dbraw/zinc/19/30/04/179193004.db2.gz NNLDOVQYPHOXCY-VIFPVBQESA-N 0 1 244.298 2.164 20 0 BEADMN CSCCNCc1ncc(CSC)s1 ZINC000382101442 347299815 /nfs/dbraw/zinc/29/98/15/347299815.db2.gz GUFRKDJSIXEDPB-UHFFFAOYSA-N 0 1 248.442 2.459 20 0 BEADMN Cc1ccccc1N(C)C(=O)CCc1cnc[nH]1 ZINC000623047573 347303801 /nfs/dbraw/zinc/30/38/01/347303801.db2.gz HKBRDAAWYQJFDX-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN CC[C@H](C(=O)N(C)c1ccccc1C)N(C)C ZINC000623047794 347304370 /nfs/dbraw/zinc/30/43/70/347304370.db2.gz VLTGVEXFTDRXCL-GFCCVEGCSA-N 0 1 234.343 2.298 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000628299232 347417090 /nfs/dbraw/zinc/41/70/90/347417090.db2.gz ICAWBVBXHZGOAX-VXGBXAGGSA-N 0 1 236.315 2.209 20 0 BEADMN CCc1nc(S[C@@H]2CCCCCC2=O)n[nH]1 ZINC000641995829 362821139 /nfs/dbraw/zinc/82/11/39/362821139.db2.gz VYZZMWDSGKLLNI-SECBINFHSA-N 0 1 239.344 2.361 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCCCCC2=O)n1 ZINC000641995829 362821143 /nfs/dbraw/zinc/82/11/43/362821143.db2.gz VYZZMWDSGKLLNI-SECBINFHSA-N 0 1 239.344 2.361 20 0 BEADMN CC1(C)CN(Cc2ccc(F)cn2)CCCO1 ZINC000364302351 347365629 /nfs/dbraw/zinc/36/56/29/347365629.db2.gz ILTUHZPLHADNBL-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(CCC1CC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581262418 347372101 /nfs/dbraw/zinc/37/21/01/347372101.db2.gz ONMHNBFOOOTBDI-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN COCC(COC)NCc1sccc1Cl ZINC000388400871 347385580 /nfs/dbraw/zinc/38/55/80/347385580.db2.gz NQHUPRJWNYPMOD-UHFFFAOYSA-N 0 1 249.763 2.153 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)C[C@H]2C)nc1 ZINC000334508612 133663440 /nfs/dbraw/zinc/66/34/40/133663440.db2.gz URUFFBHVKFMKOR-GXSJLCMTSA-N 0 1 205.305 2.015 20 0 BEADMN CCN(Cc1ncnn1CC)[C@@H](C)C(C)C ZINC000193319314 347395927 /nfs/dbraw/zinc/39/59/27/347395927.db2.gz IJOATSNXXTVFSZ-NSHDSACASA-N 0 1 224.352 2.164 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000616921243 347450266 /nfs/dbraw/zinc/45/02/66/347450266.db2.gz KOLRHURPQTVOOH-CHWSQXEVSA-N 0 1 247.342 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)C1CCC1 ZINC000616921716 347451552 /nfs/dbraw/zinc/45/15/52/347451552.db2.gz AKZHUNKAQAGLJS-UHFFFAOYSA-N 0 1 235.331 2.194 20 0 BEADMN C[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616921607 347451675 /nfs/dbraw/zinc/45/16/75/347451675.db2.gz XGMBTBSSKKSOTQ-JQWIXIFHSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1cc(C)cc(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC000616922219 347452114 /nfs/dbraw/zinc/45/21/14/347452114.db2.gz UMKYDPRAZLBNSZ-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CC[C@H](CC(F)F)C(=O)N(C)Cc1cnc[nH]1 ZINC000616922201 347452526 /nfs/dbraw/zinc/45/25/26/347452526.db2.gz SZLIYSPOOHUERV-MRVPVSSYSA-N 0 1 245.273 2.050 20 0 BEADMN Cc1ccsc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616922257 347452647 /nfs/dbraw/zinc/45/26/47/347452647.db2.gz VTHKTSIVWJOBDW-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN C[C@@H]1CC(C(=O)N(C)Cc2cnc[nH]2)C[C@@H](C)C1 ZINC000616927524 347454836 /nfs/dbraw/zinc/45/48/36/347454836.db2.gz KNIFCWFZKJPJRA-QWRGUYRKSA-N 0 1 249.358 2.440 20 0 BEADMN CCCc1nc(C)c(CSc2c[nH]nn2)o1 ZINC000571512043 323146370 /nfs/dbraw/zinc/14/63/70/323146370.db2.gz PIBWOTHGJODBNZ-UHFFFAOYSA-N 0 1 238.316 2.346 20 0 BEADMN CCC[C@@H](C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616924704 347456320 /nfs/dbraw/zinc/45/63/20/347456320.db2.gz SWDDNTGUMVCAKE-SNVBAGLBSA-N 0 1 223.320 2.194 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCO2)cs1 ZINC000020253446 347437613 /nfs/dbraw/zinc/43/76/13/347437613.db2.gz JDIIYBYJQOHYNH-KCJUWKMLSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)C1CCCC1 ZINC000616925704 347457228 /nfs/dbraw/zinc/45/72/28/347457228.db2.gz NOESUYUBKHDXIB-SNVBAGLBSA-N 0 1 235.331 2.194 20 0 BEADMN C[C@H](C(=O)N(C)Cc1cnc[nH]1)c1cccs1 ZINC000616925756 347457274 /nfs/dbraw/zinc/45/72/74/347457274.db2.gz PGCCPXBTWGPGIK-VIFPVBQESA-N 0 1 249.339 2.233 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)N(C)Cc2cnc[nH]2)C[C@@H]1C ZINC000616928732 347494708 /nfs/dbraw/zinc/49/47/08/347494708.db2.gz KCAPNHPHXPHOOH-WOPDTQHZSA-N 0 1 249.358 2.440 20 0 BEADMN C[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928692 347494783 /nfs/dbraw/zinc/49/47/83/347494783.db2.gz JEQXZEAIIFMCNJ-GWCFXTLKSA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CC2CCC1CC2 ZINC000616929328 347497565 /nfs/dbraw/zinc/49/75/65/347497565.db2.gz YJJAOWUWTWDQHA-GCZXYKMCSA-N 0 1 247.342 2.194 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616926949 347459257 /nfs/dbraw/zinc/45/92/57/347459257.db2.gz WGSSIXZXEIEKEQ-SNVBAGLBSA-N 0 1 237.347 2.440 20 0 BEADMN CCC[C@@H](C(=O)N(C)Cc1cnc[nH]1)C(C)C ZINC000616927021 347459903 /nfs/dbraw/zinc/45/99/03/347459903.db2.gz YPGMMBKSWRLROZ-GFCCVEGCSA-N 0 1 237.347 2.440 20 0 BEADMN Cc1ccccc1C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155216593 179248735 /nfs/dbraw/zinc/24/87/35/179248735.db2.gz JAIYCKYMXGRQSW-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccccc1CN(C)C[C@@H](O)C(F)(F)F ZINC000068876183 179270008 /nfs/dbraw/zinc/27/00/08/179270008.db2.gz BZGUUVHRBMCEFA-LLVKDONJSA-N 0 1 247.260 2.350 20 0 BEADMN CSC1(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000592356897 347772732 /nfs/dbraw/zinc/77/27/32/347772732.db2.gz LTDRWPHMWOQAHR-MRVPVSSYSA-N 0 1 239.344 2.236 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NCc1cn[nH]c1)CC2 ZINC000592463478 347779105 /nfs/dbraw/zinc/77/91/05/347779105.db2.gz WRIVSZFEOQODSC-ZDUSSCGKSA-N 0 1 231.274 2.326 20 0 BEADMN Cc1cc(C(=O)N(C)CC2CCCCC2)n[nH]1 ZINC000048696072 323155197 /nfs/dbraw/zinc/15/51/97/323155197.db2.gz ZIZGQHLJDUTKSL-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1ccccc1CNc1ncnc2[nH]cnc21 ZINC000034050299 179286266 /nfs/dbraw/zinc/28/62/66/179286266.db2.gz UGNHBTDGSONRKB-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCN(CCSC)[C@@H](C)c1cnccn1 ZINC000592200664 347752175 /nfs/dbraw/zinc/75/21/75/347752175.db2.gz CMAAWYXVXSBFPO-JTQLQIEISA-N 0 1 225.361 2.223 20 0 BEADMN COC(=O)c1ccoc1CN(C)C(C)(C)C ZINC000592179429 347759134 /nfs/dbraw/zinc/75/91/34/347759134.db2.gz RDOREIATXKMIIW-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN COC(=O)c1occc1CN(C)CC1CCC1 ZINC000111297554 323158481 /nfs/dbraw/zinc/15/84/81/323158481.db2.gz MGKXJCSKILSENF-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CCc1cnc(CN2C[C@H](C)C[C@H]2C)o1 ZINC000525787659 259397643 /nfs/dbraw/zinc/39/76/43/259397643.db2.gz LDHOBXWWIIDMGU-NXEZZACHSA-N 0 1 208.305 2.467 20 0 BEADMN CC[C@@H](NCc1csc(C2CC2)n1)[C@@H](C)O ZINC000449533076 201955195 /nfs/dbraw/zinc/95/51/95/201955195.db2.gz BAOIBKFFYZCGSN-LDYMZIIASA-N 0 1 240.372 2.270 20 0 BEADMN CCc1cc(CN[C@@H](COC)CC(C)C)on1 ZINC000531976963 323162003 /nfs/dbraw/zinc/16/20/03/323162003.db2.gz ZCGYECRDAMRUOI-GFCCVEGCSA-N 0 1 240.347 2.388 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000593099159 347856151 /nfs/dbraw/zinc/85/61/51/347856151.db2.gz HVBAFWMBKWTKAE-ZQIUZPCESA-N 0 1 249.379 2.009 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875644 347877002 /nfs/dbraw/zinc/87/70/02/347877002.db2.gz UIWOODAFCPUUIG-ZYHUDNBSSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1C(=O)NCCN1C[C@@H]1CCCC(C)(C)C1 ZINC000535083701 323165829 /nfs/dbraw/zinc/16/58/29/323165829.db2.gz WTHTVBRRDSWNPQ-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC000628300235 347885290 /nfs/dbraw/zinc/88/52/90/347885290.db2.gz WHXYVTZGVNPOKC-GXTWGEPZSA-N 0 1 231.343 2.339 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCc2sccc2C1 ZINC000593422774 347895121 /nfs/dbraw/zinc/89/51/21/347895121.db2.gz SMUQBRWXYPYNMK-UHFFFAOYSA-N 0 1 247.323 2.060 20 0 BEADMN FC(F)c1noc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000577386155 365941599 /nfs/dbraw/zinc/94/15/99/365941599.db2.gz QVLQVOPYQWDDJG-GJMOJQLCSA-N 0 1 243.257 2.285 20 0 BEADMN Cc1ccccc1[C@@H](C)NCN1CCC(=O)CC1 ZINC000273067797 179320925 /nfs/dbraw/zinc/32/09/25/179320925.db2.gz KERGYURMJNRUKW-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)SCC[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000593743987 347934974 /nfs/dbraw/zinc/93/49/74/347934974.db2.gz LJUYJILBWCXWJL-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN CCOC(=O)CN(CC1CC(F)(F)C1)C(C)C ZINC000383190337 347909847 /nfs/dbraw/zinc/90/98/47/347909847.db2.gz WQQXNOPAEPRQIC-UHFFFAOYSA-N 0 1 249.301 2.305 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000299471063 179320195 /nfs/dbraw/zinc/32/01/95/179320195.db2.gz CXSZJDDPOKIAOU-OCCSQVGLSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000299471063 179320199 /nfs/dbraw/zinc/32/01/99/179320199.db2.gz CXSZJDDPOKIAOU-OCCSQVGLSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCCC(C)C ZINC000083361209 179324668 /nfs/dbraw/zinc/32/46/68/179324668.db2.gz STHHRCHNXQZHMY-CYBMUJFWSA-N 0 1 234.343 2.157 20 0 BEADMN Cc1ccccc1[C@@H]1CCCN1C(=O)CN(C)C ZINC000171387721 179327503 /nfs/dbraw/zinc/32/75/03/179327503.db2.gz WFJGVMYMKQIVOS-AWEZNQCLSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1ccccc1[C@H]1CN(C[C@H](C)O)[C@@H](C)CO1 ZINC000297906482 179348664 /nfs/dbraw/zinc/34/86/64/179348664.db2.gz RXBJPDNUROMTED-KCQAQPDRSA-N 0 1 249.354 2.138 20 0 BEADMN CC(C)SCCN[C@@H]1CCCn2ccnc21 ZINC000594525273 348069941 /nfs/dbraw/zinc/06/99/41/348069941.db2.gz UNCKMMZUYGLSGW-LLVKDONJSA-N 0 1 239.388 2.449 20 0 BEADMN Cc1ccccc1[C@H]1CN(C[C@@H](C)O)[C@H](C)CO1 ZINC000192728562 179349554 /nfs/dbraw/zinc/34/95/54/179349554.db2.gz RXBJPDNUROMTED-UMVBOHGHSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1cc(CNC(=O)CCC2CCCC2)n[nH]1 ZINC000603488427 349980383 /nfs/dbraw/zinc/98/03/83/349980383.db2.gz VVAGIIZLWNUARN-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC1CCCCC1 ZINC000294693780 179341461 /nfs/dbraw/zinc/34/14/61/179341461.db2.gz GEHFFBMAEJLNCU-AWEZNQCLSA-N 0 1 246.354 2.444 20 0 BEADMN CCc1nc([C@H](C)SC[C@@H]2CCCO2)n[nH]1 ZINC000594895093 348127950 /nfs/dbraw/zinc/12/79/50/348127950.db2.gz QIAKGXWMHZYKOH-IUCAKERBSA-N 0 1 241.360 2.340 20 0 BEADMN Cc1cccnc1-c1nc(C2(N)CCCC2)no1 ZINC000051813760 179357274 /nfs/dbraw/zinc/35/72/74/179357274.db2.gz UKLQLCSBNHBJET-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CCc1nc([C@H](C)S[C@H](C)C(C)=O)n[nH]1 ZINC000594891976 348125765 /nfs/dbraw/zinc/12/57/65/348125765.db2.gz ZJGOFQCBPZHPGR-SFYZADRCSA-N 0 1 227.333 2.139 20 0 BEADMN CC/C=C/CNCc1cc(C(=O)OC)oc1C ZINC000594609624 348081618 /nfs/dbraw/zinc/08/16/18/348081618.db2.gz LXGJDQIWVXNRCK-AATRIKPKSA-N 0 1 237.299 2.430 20 0 BEADMN COC(=O)c1cc(CNCC=C(C)C)c(C)o1 ZINC000594615470 348084123 /nfs/dbraw/zinc/08/41/23/348084123.db2.gz UKUYPRYHEXJRFP-UHFFFAOYSA-N 0 1 237.299 2.430 20 0 BEADMN Cc1cnc(CNCCOC(C)(C)C)s1 ZINC000308699450 348084797 /nfs/dbraw/zinc/08/47/97/348084797.db2.gz WGPBFDVHKOTUBQ-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CCc1nc([C@@H](C)[S@@](=O)C2CCCC2)n[nH]1 ZINC000594663329 348093861 /nfs/dbraw/zinc/09/38/61/348093861.db2.gz CCSMYCPAQBWCBP-VPTHRUTESA-N 0 1 241.360 2.119 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)CCC(C)C)n[nH]1 ZINC000594664200 348094575 /nfs/dbraw/zinc/09/45/75/348094575.db2.gz LCSKBOLJOBBCDR-XXFAHNHDSA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)CCC(C)C)n[nH]1 ZINC000594664198 348094765 /nfs/dbraw/zinc/09/47/65/348094765.db2.gz LCSKBOLJOBBCDR-FVMDXXJSSA-N 0 1 243.376 2.223 20 0 BEADMN CSC[C@@H](C)NCc1nccn1C(C)C ZINC000594928059 348139006 /nfs/dbraw/zinc/13/90/06/348139006.db2.gz ZETWYSJCMGNXRV-SNVBAGLBSA-N 0 1 227.377 2.305 20 0 BEADMN CSCC1(CC[NH2+]Cc2ccn[nH]2)CC1 ZINC000594964029 348156862 /nfs/dbraw/zinc/15/68/62/348156862.db2.gz UEAFOKCKJOAPJO-UHFFFAOYSA-N 0 1 225.361 2.033 20 0 BEADMN CCSC1(CNCc2nccn2CC)CC1 ZINC000594986790 348166295 /nfs/dbraw/zinc/16/62/95/348166295.db2.gz KFPKEDXHBHKOAO-UHFFFAOYSA-N 0 1 239.388 2.278 20 0 BEADMN CC[C@H](CC(F)F)CN1CCC[C@@H]1C(=O)OC ZINC000595303947 348221683 /nfs/dbraw/zinc/22/16/83/348221683.db2.gz ROHUTSWYQOIHAY-NXEZZACHSA-N 0 1 249.301 2.305 20 0 BEADMN CN(CC(=O)OC(C)(C)C)CC1CC=CC1 ZINC000595307599 348223153 /nfs/dbraw/zinc/22/31/53/348223153.db2.gz WLSDXHZMWPYWGQ-UHFFFAOYSA-N 0 1 225.332 2.226 20 0 BEADMN C[C@@H](CSCCF)N[C@@H](C)c1nccn1C ZINC000595106138 348196470 /nfs/dbraw/zinc/19/64/70/348196470.db2.gz JICXWJDOGWUULR-UWVGGRQHSA-N 0 1 245.367 2.162 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@@H](C)[C@H](C)O1 ZINC000446069233 348200927 /nfs/dbraw/zinc/20/09/27/348200927.db2.gz DZXXIGDBJWZOHY-VOAKCMCISA-N 0 1 241.375 2.442 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCCC12CCCCC2 ZINC000617104986 348202977 /nfs/dbraw/zinc/20/29/77/348202977.db2.gz BAVHUYWPUGQBDP-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cccnc1CN(C)CCOCC1CC1 ZINC000093189014 179370385 /nfs/dbraw/zinc/37/03/85/179370385.db2.gz CNAQEIPHLPOZGQ-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1cccnc1CN(C)C[C@@H]1CCCO1 ZINC000093159460 179370586 /nfs/dbraw/zinc/37/05/86/179370586.db2.gz OEWKRQPXQOPVTN-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CO[C@@H](CC(C)C)CN(C(C)C)C1COC1 ZINC000419279323 192113447 /nfs/dbraw/zinc/11/34/47/192113447.db2.gz HYSLTJFJGUKMRK-ZDUSSCGKSA-N 0 1 229.364 2.157 20 0 BEADMN C[C@H]1CCN(CCC2CCC2)CC[S@@]1=O ZINC000595458668 348255900 /nfs/dbraw/zinc/25/59/00/348255900.db2.gz JSDQSXSIPJDLNW-NHYWBVRUSA-N 0 1 229.389 2.020 20 0 BEADMN CC(C)=CCCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000595459627 348256192 /nfs/dbraw/zinc/25/61/92/348256192.db2.gz QQWHNMUNMKITLQ-DOMZBBRYSA-N 0 1 229.389 2.186 20 0 BEADMN C[C@@H]1CN(CCCC2CCC2)CC[S@@](=O)C1 ZINC000595459623 348256327 /nfs/dbraw/zinc/25/63/27/348256327.db2.gz QNUNRBDSYDTYIM-MLGOLLRUSA-N 0 1 243.416 2.267 20 0 BEADMN CC(C)=CCCN1CC[C@H](C)[S@](=O)CC1 ZINC000595459629 348257117 /nfs/dbraw/zinc/25/71/17/348257117.db2.gz QQWHNMUNMKITLQ-SWLSCSKDSA-N 0 1 229.389 2.186 20 0 BEADMN CSC[C@H]1CCCN1Cc1coc(C)n1 ZINC000595353550 348228900 /nfs/dbraw/zinc/22/89/00/348228900.db2.gz RPDGAXOIKHEQLW-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN CSC[C@@H]1CCCN1Cc1coc(C)n1 ZINC000595353551 348229273 /nfs/dbraw/zinc/22/92/73/348229273.db2.gz RPDGAXOIKHEQLW-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN Cc1c([C@@H](C)NCc2ncccc2C)cnn1C ZINC000352719413 179385036 /nfs/dbraw/zinc/38/50/36/179385036.db2.gz JYZMNKULVZWKIJ-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CS[C@H]1CCN(Cc2nc(C)oc2C)C1 ZINC000595523834 348270755 /nfs/dbraw/zinc/27/07/55/348270755.db2.gz LQDTZBAXDGBOOS-JTQLQIEISA-N 0 1 226.345 2.229 20 0 BEADMN COC(=O)C1(N(CCCCF)C2CC2)CCC1 ZINC000595542583 348276713 /nfs/dbraw/zinc/27/67/13/348276713.db2.gz RKOQASZHNARMDU-UHFFFAOYSA-N 0 1 243.322 2.296 20 0 BEADMN CCOC(=O)[C@H](CC)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568924 348283790 /nfs/dbraw/zinc/28/37/90/348283790.db2.gz YLBCZSXVMQFGSR-SRVKXCTJSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595569600 348284338 /nfs/dbraw/zinc/28/43/38/348284338.db2.gz ZWYKMLZTULRGCL-AVGNSLFASA-N 0 1 239.359 2.449 20 0 BEADMN CC[C@H](NCc1nnc(C)o1)[C@@H]1CC1(C)C ZINC000419319559 192120795 /nfs/dbraw/zinc/12/07/95/192120795.db2.gz WBSWTRJJQCBIEQ-UWVGGRQHSA-N 0 1 223.320 2.292 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCC[C@@H](CCF)C1 ZINC000595754998 348329705 /nfs/dbraw/zinc/32/97/05/348329705.db2.gz DSVXJZMQTMZCGC-JQWIXIFHSA-N 0 1 243.322 2.010 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000595756842 348331208 /nfs/dbraw/zinc/33/12/08/348331208.db2.gz XVZXYXYMYTWFQN-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000391958466 323183626 /nfs/dbraw/zinc/18/36/26/323183626.db2.gz XNDLOHOMEIHQNI-WOPDTQHZSA-N 0 1 236.363 2.292 20 0 BEADMN CCC1(CC)CCCN([C@@H](C)C(=O)OC)C1 ZINC000595750975 348341179 /nfs/dbraw/zinc/34/11/79/348341179.db2.gz BETUPENQILLORF-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN C/C=C/C[C@H](CO)NCc1ccncc1Cl ZINC000623495051 362918668 /nfs/dbraw/zinc/91/86/68/362918668.db2.gz OIAINRMVYFTYHJ-KXMPLOMGSA-N 0 1 240.734 2.152 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)C1 ZINC000595832976 348366212 /nfs/dbraw/zinc/36/62/12/348366212.db2.gz LBSFNYVZRCQBBB-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419358016 192126772 /nfs/dbraw/zinc/12/67/72/192126772.db2.gz PSMJYNXWURVYKK-CHWFTXMASA-N 0 1 249.362 2.045 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419358019 192127099 /nfs/dbraw/zinc/12/70/99/192127099.db2.gz PSMJYNXWURVYKK-VPOLOUISSA-N 0 1 249.362 2.045 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nncn1C ZINC000535567831 323185853 /nfs/dbraw/zinc/18/58/53/323185853.db2.gz WFKBSXGUWGDXAJ-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN COC(=O)c1cc(CN2CC3CC2(C)C3)c(C)o1 ZINC000595914610 348399521 /nfs/dbraw/zinc/39/95/21/348399521.db2.gz DYXYOCVKCFBYJK-UHFFFAOYSA-N 0 1 249.310 2.359 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC2CC1(C)C2 ZINC000595914464 348399647 /nfs/dbraw/zinc/39/96/47/348399647.db2.gz APUDLAJYPOWLQH-TTXORMCVSA-N 0 1 225.332 2.201 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@H](C)[C@H]2C)n1C1CC1 ZINC000419374999 192129129 /nfs/dbraw/zinc/12/91/29/192129129.db2.gz QVTSKSHYDUVROP-GARJFASQSA-N 0 1 248.374 2.398 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000419391695 192129826 /nfs/dbraw/zinc/12/98/26/192129826.db2.gz KBWXHZWTGRSLHB-DCAQKATOSA-N 0 1 237.347 2.498 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000419364636 192127509 /nfs/dbraw/zinc/12/75/09/192127509.db2.gz WZNQVAJFZRVVNQ-UTUOFQBUSA-N 0 1 248.374 2.164 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nnc3n2CCCC3)[C@H]1C ZINC000419364601 192128342 /nfs/dbraw/zinc/12/83/42/192128342.db2.gz WTNAKRXIDJDHCY-UTUOFQBUSA-N 0 1 248.374 2.091 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC000419364635 192128399 /nfs/dbraw/zinc/12/83/99/192128399.db2.gz WZNQVAJFZRVVNQ-IJLUTSLNSA-N 0 1 248.374 2.164 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1C1CC1 ZINC000419374997 192128555 /nfs/dbraw/zinc/12/85/55/192128555.db2.gz QVTSKSHYDUVROP-AXFHLTTASA-N 0 1 248.374 2.398 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000419375989 192128640 /nfs/dbraw/zinc/12/86/40/192128640.db2.gz SJMPVJYCBJYQSG-HBNTYKKESA-N 0 1 249.358 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000419375989 192128641 /nfs/dbraw/zinc/12/86/41/192128641.db2.gz SJMPVJYCBJYQSG-HBNTYKKESA-N 0 1 249.358 2.221 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccccc2C)n[nH]1 ZINC000603557979 349992609 /nfs/dbraw/zinc/99/26/09/349992609.db2.gz CBVKLDLJKWMAHY-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN COC(=O)CN(C)C[C@H]1CCCC(C)(C)C1 ZINC000535784357 323191245 /nfs/dbraw/zinc/19/12/45/323191245.db2.gz FAODOVBSQMXJHB-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN COC(=O)c1oc(CNCC=C(C)C)cc1C ZINC000597114367 348662580 /nfs/dbraw/zinc/66/25/80/348662580.db2.gz WWTQSCNIEWUOLV-UHFFFAOYSA-N 0 1 237.299 2.430 20 0 BEADMN COC(=O)c1oc(CN[C@H]2CC23CC3)cc1C ZINC000597157887 348665970 /nfs/dbraw/zinc/66/59/70/348665970.db2.gz UZEAFKPOWOVQMU-JTQLQIEISA-N 0 1 235.283 2.017 20 0 BEADMN Cc1cnc(CNC[C@H](CCO)CC(C)C)o1 ZINC000638700954 352540377 /nfs/dbraw/zinc/54/03/77/352540377.db2.gz WQWLMTLJBBGKIA-GFCCVEGCSA-N 0 1 240.347 2.117 20 0 BEADMN Cc1cnc(CNC[C@@H](CCO)CC(C)C)o1 ZINC000638700955 352540077 /nfs/dbraw/zinc/54/00/77/352540077.db2.gz WQWLMTLJBBGKIA-LBPRGKRZSA-N 0 1 240.347 2.117 20 0 BEADMN CCN(CC(=O)NC(C)C)Cc1ccc(C)cc1 ZINC000042976894 348981062 /nfs/dbraw/zinc/98/10/62/348981062.db2.gz NBUGTYLSEPMGQR-UHFFFAOYSA-N 0 1 248.370 2.342 20 0 BEADMN CCc1ncc(CN(C)Cc2cnc[nH]2)s1 ZINC000093324359 538020852 /nfs/dbraw/zinc/02/08/52/538020852.db2.gz DAZJTTZUGWJUNH-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN COC(=O)c1cc(CN2CC(CC3CC3)C2)c[nH]1 ZINC000598678455 349021383 /nfs/dbraw/zinc/02/13/83/349021383.db2.gz PBNHVPMVWHWYQI-UHFFFAOYSA-N 0 1 248.326 2.033 20 0 BEADMN CS[C@H]1CCCC[N@@H+](CCCC(=O)[O-])C1 ZINC000308897275 349056388 /nfs/dbraw/zinc/05/63/88/349056388.db2.gz ZXXGXUNSZSGRLF-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN c1cnc(CN[C@H]2CCc3ccccc3C2)nc1 ZINC000054459752 349033675 /nfs/dbraw/zinc/03/36/75/349033675.db2.gz GNXFTZFPLMGSAT-AWEZNQCLSA-N 0 1 239.322 2.124 20 0 BEADMN NCc1nccnc1Sc1ccccc1F ZINC000054378798 1172111938 /nfs/dbraw/zinc/11/19/38/1172111938.db2.gz ZNSVJVAKHAOTFE-UHFFFAOYSA-N 0 1 235.287 2.226 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)n1 ZINC000248718781 349147521 /nfs/dbraw/zinc/14/75/21/349147521.db2.gz FWKAMTLQWUXJHG-MIMYLULJSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@@H](C)[C@@H]2C)n1 ZINC000248718781 349147524 /nfs/dbraw/zinc/14/75/24/349147524.db2.gz FWKAMTLQWUXJHG-MIMYLULJSA-N 0 1 235.331 2.282 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccs2)C1 ZINC000062936343 349124938 /nfs/dbraw/zinc/12/49/38/349124938.db2.gz QDFMQNJUSVJPLQ-LLVKDONJSA-N 0 1 225.313 2.045 20 0 BEADMN CCOC(=O)CN(CC)CC1CC(C)(C)C1 ZINC000599282876 349140109 /nfs/dbraw/zinc/14/01/09/349140109.db2.gz OBZYIBKGVXAANB-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H](c1ccccc1)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000251089836 349182485 /nfs/dbraw/zinc/18/24/85/349182485.db2.gz JYHRAGGCUGNDFG-WDEREUQCSA-N 0 1 221.300 2.400 20 0 BEADMN C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000251089835 349182552 /nfs/dbraw/zinc/18/25/52/349182552.db2.gz JYHRAGGCUGNDFG-GHMZBOCLSA-N 0 1 221.300 2.400 20 0 BEADMN CC(C)C[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251368961 349187005 /nfs/dbraw/zinc/18/70/05/349187005.db2.gz FRKUYHHUBNVARW-VHSXEESVSA-N 0 1 201.310 2.074 20 0 BEADMN COC(=O)C12CC(C1)CN2CC1CC(C)(C)C1 ZINC000599465800 349190828 /nfs/dbraw/zinc/19/08/28/349190828.db2.gz RSUIISKUEOJWQF-UHFFFAOYSA-N 0 1 237.343 2.060 20 0 BEADMN C[C@H](NCCCC1(O)CCC1)c1nccs1 ZINC000421854521 192389259 /nfs/dbraw/zinc/38/92/59/192389259.db2.gz KTAKOMHJZNSKPA-JTQLQIEISA-N 0 1 240.372 2.489 20 0 BEADMN CSCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252913691 349215448 /nfs/dbraw/zinc/21/54/48/349215448.db2.gz OQCIRRHDQVCDIT-MXWKQRLJSA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@H](COC)NCc1c(F)cccc1F ZINC000070657924 323215572 /nfs/dbraw/zinc/21/55/72/323215572.db2.gz ZOQWTNLCWRSHQJ-SECBINFHSA-N 0 1 229.270 2.479 20 0 BEADMN CCN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496550 349199630 /nfs/dbraw/zinc/19/96/30/349199630.db2.gz YMHZOMSADNMHRV-GFCCVEGCSA-N 0 1 213.321 2.203 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cscn1 ZINC000252788381 349205996 /nfs/dbraw/zinc/20/59/96/349205996.db2.gz LTZGBLJPKMEQJC-FXPVBKGRSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC1CCCC1 ZINC000300731386 349293462 /nfs/dbraw/zinc/29/34/62/349293462.db2.gz FSJWHCPMFJAMJZ-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc(CN2CCCCc3ccccc32)n[nH]1 ZINC000293255684 179834058 /nfs/dbraw/zinc/83/40/58/179834058.db2.gz RQZONEDMVGIBQO-UHFFFAOYSA-N 0 1 242.326 2.456 20 0 BEADMN CC(C)(C)CCC[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000300839216 349357508 /nfs/dbraw/zinc/35/75/08/349357508.db2.gz JMHJNFIERWOZCX-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN OCC[C@@H]1CCCCCN1Cc1nccs1 ZINC000342058384 538041607 /nfs/dbraw/zinc/04/16/07/538041607.db2.gz JIHMMMMNFGPQPM-NSHDSACASA-N 0 1 240.372 2.270 20 0 BEADMN CS[C@@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000602005404 349411656 /nfs/dbraw/zinc/41/16/56/349411656.db2.gz IIHUOPDBBJFECY-MWLCHTKSSA-N 0 1 226.345 2.438 20 0 BEADMN CSCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000335118215 133782803 /nfs/dbraw/zinc/78/28/03/133782803.db2.gz UCGZIKOCTDDTEP-UHFFFAOYSA-N 0 1 249.694 2.486 20 0 BEADMN CC[C@@H](NCc1cn[nH]c1)c1ccncc1 ZINC000390799845 350099511 /nfs/dbraw/zinc/09/95/11/350099511.db2.gz XDHICPRUJFYKNV-GFCCVEGCSA-N 0 1 216.288 2.046 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccco2)n[nH]1 ZINC000309163014 350113578 /nfs/dbraw/zinc/11/35/78/350113578.db2.gz ZVJCMUPDKZLZAC-SECBINFHSA-N 0 1 205.261 2.162 20 0 BEADMN Cc1nnc(NC(=O)CCC2CCCCC2)[nH]1 ZINC000103253147 180006433 /nfs/dbraw/zinc/00/64/33/180006433.db2.gz SAZVXWJGMHZXIS-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN Cc1nnc(NC(=O)c2csc(C)c2C)[nH]1 ZINC000180041095 180014027 /nfs/dbraw/zinc/01/40/27/180014027.db2.gz GLAXTQIQIAJEGW-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1n[nH]c(NC(=O)c2csc(C)c2C)n1 ZINC000180041095 180014029 /nfs/dbraw/zinc/01/40/29/180014029.db2.gz GLAXTQIQIAJEGW-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1nnc(NC(=O)c2ccoc2C(C)C)[nH]1 ZINC000280714583 180014300 /nfs/dbraw/zinc/01/43/00/180014300.db2.gz LOULLEYJKBIDEP-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccoc2C(C)C)n1 ZINC000280714583 180014302 /nfs/dbraw/zinc/01/43/02/180014302.db2.gz LOULLEYJKBIDEP-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1nnc(NC(=O)c2cc(C(C)C)oc2C)[nH]1 ZINC000285763391 180014340 /nfs/dbraw/zinc/01/43/40/180014340.db2.gz XKSVKPUEVUYWHY-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc(C(C)C)oc2C)n1 ZINC000285763391 180014343 /nfs/dbraw/zinc/01/43/43/180014343.db2.gz XKSVKPUEVUYWHY-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CC(C)n1cncc1CN[C@@H](C)c1cn[nH]c1 ZINC000229636996 535104925 /nfs/dbraw/zinc/10/49/25/535104925.db2.gz LFVZPGHPFBJLFW-JTQLQIEISA-N 0 1 233.319 2.038 20 0 BEADMN Cc1nc([C@@H](C)N2CCCC(C)(C)C2)n[nH]1 ZINC000336278028 180034595 /nfs/dbraw/zinc/03/45/95/180034595.db2.gz ZYQBUTSHNPFBBK-SECBINFHSA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)C[N@@H+](CCCOC(C)C)CCC(=O)[O-] ZINC000071739105 350128678 /nfs/dbraw/zinc/12/86/78/350128678.db2.gz BKXKNZZCDLKCRY-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H](CO)C2CC2)cs1 ZINC000309606115 180037522 /nfs/dbraw/zinc/03/75/22/180037522.db2.gz YRDJTRYAZJPEJU-KCJUWKMLSA-N 0 1 240.372 2.121 20 0 BEADMN Cc1nnc([C@@H]2CCCCN2CCC2CC2)[nH]1 ZINC000336708276 180043714 /nfs/dbraw/zinc/04/37/14/180043714.db2.gz RQJFRBBQCRTQKR-LBPRGKRZSA-N 0 1 234.347 2.440 20 0 BEADMN Cc1nc([C@H](C)N2CCC(C(F)F)CC2)n[nH]1 ZINC000336283903 180047177 /nfs/dbraw/zinc/04/71/77/180047177.db2.gz ALJHAWNKOXFYFT-ZETCQYMHSA-N 0 1 244.289 2.151 20 0 BEADMN Cc1nnc([C@H](C)N2CCCCCC2)[nH]1 ZINC000336279629 180047994 /nfs/dbraw/zinc/04/79/94/180047994.db2.gz AUMJMNFOOLDYIK-VIFPVBQESA-N 0 1 208.309 2.050 20 0 BEADMN Cc1nc([C@H](C)NC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000334666180 180048742 /nfs/dbraw/zinc/04/87/42/180048742.db2.gz POFLEYFKXQNORR-TVQRCGJNSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H](C)C3CC3)c2[nH]1 ZINC000283715216 180062762 /nfs/dbraw/zinc/06/27/62/180062762.db2.gz ZKOSDSCZNXVAPN-QMMMGPOBSA-N 0 1 243.310 2.400 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000304178617 350147457 /nfs/dbraw/zinc/14/74/57/350147457.db2.gz LBOANXXQZBVOAA-SNVBAGLBSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1nc2ccccn2c1CN[C@H](C)CF ZINC000309744461 180107635 /nfs/dbraw/zinc/10/76/35/180107635.db2.gz ISNPYRVTJWFEPP-SECBINFHSA-N 0 1 221.279 2.090 20 0 BEADMN Cn1ncnc1CN1CCC[C@H]1CC(C)(C)C ZINC000426989467 191050028 /nfs/dbraw/zinc/05/00/28/191050028.db2.gz BYDMTDUOXYINQR-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN Cn1ncnc1CN1CCC[C@@H]1CC(C)(C)C ZINC000426989466 191050075 /nfs/dbraw/zinc/05/00/75/191050075.db2.gz BYDMTDUOXYINQR-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ncc(CN(C)CCCF)s1 ZINC000178307855 180136996 /nfs/dbraw/zinc/13/69/96/180136996.db2.gz XGGGNUBRDJWLHS-UHFFFAOYSA-N 0 1 202.298 2.243 20 0 BEADMN Cc1ncc(CN2CCCO[C@H](C(C)C)C2)cn1 ZINC000339826209 180142482 /nfs/dbraw/zinc/14/24/82/180142482.db2.gz MCVGJLGEZOERIS-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN CC(C)C[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000236642306 191060015 /nfs/dbraw/zinc/06/00/15/191060015.db2.gz ZYKXBHOVFDMEOW-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000236665049 191060325 /nfs/dbraw/zinc/06/03/25/191060325.db2.gz ZYKXBHOVFDMEOW-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cccnc2)cn1 ZINC000339287361 180153466 /nfs/dbraw/zinc/15/34/66/180153466.db2.gz XKNKYRZMSUNPJO-JTQLQIEISA-N 0 1 228.299 2.031 20 0 BEADMN Cc1ncc(CNCc2ccccc2)cn1 ZINC000307302881 180153838 /nfs/dbraw/zinc/15/38/38/180153838.db2.gz ZORYTOREKBMIIY-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cccnc2)cn1 ZINC000339287618 180158781 /nfs/dbraw/zinc/15/87/81/180158781.db2.gz XKNKYRZMSUNPJO-SNVBAGLBSA-N 0 1 228.299 2.031 20 0 BEADMN Cc1ncc(CN2CC[C@@H](n3cccn3)C2)s1 ZINC000291155920 180145193 /nfs/dbraw/zinc/14/51/93/180145193.db2.gz BWKGPYJDSQSOTP-LLVKDONJSA-N 0 1 248.355 2.095 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000604773724 350186395 /nfs/dbraw/zinc/18/63/95/350186395.db2.gz AIWVDJHENZNESU-WCQYABFASA-N 0 1 249.310 2.003 20 0 BEADMN CC[N@@H+](Cc1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000604773064 350186420 /nfs/dbraw/zinc/18/64/20/350186420.db2.gz IPXXSYRPHDLWFR-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1ncc(CNCc2cc[nH]c2)s1 ZINC000085579502 180152517 /nfs/dbraw/zinc/15/25/17/180152517.db2.gz YIWLGDNBSKVPRB-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN Cc1ncccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339356145 180209052 /nfs/dbraw/zinc/20/90/52/180209052.db2.gz AZPBKPDZWREGSR-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN Cc1nccc(N[C@@H]2CCC[C@H]2O)c1Cl ZINC000309163789 180203865 /nfs/dbraw/zinc/20/38/65/180203865.db2.gz HZVVISVSORBHLV-PSASIEDQSA-N 0 1 226.707 2.369 20 0 BEADMN CCCCOCC[N@H+]1CCCOC(C)(C)C1 ZINC000605026164 350242262 /nfs/dbraw/zinc/24/22/62/350242262.db2.gz DJADTKDLUANLFJ-UHFFFAOYSA-N 0 1 229.364 2.304 20 0 BEADMN Cc1ncccc1CN[C@@H]1CCC[C@@H]1F ZINC000334391498 180223097 /nfs/dbraw/zinc/22/30/97/180223097.db2.gz VMFSPHSKPHPIMA-NWDGAFQWSA-N 0 1 208.280 2.370 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000068335003 350230471 /nfs/dbraw/zinc/23/04/71/350230471.db2.gz NIZUHQFFKYLNRY-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN c1ccc2oc(CNC[C@H]3CCCO3)nc2c1 ZINC000606012599 350268265 /nfs/dbraw/zinc/26/82/65/350268265.db2.gz SLEKNSCRTNDVLJ-SNVBAGLBSA-N 0 1 232.283 2.096 20 0 BEADMN CCc1nnc(NC(=O)CC[C@H](C)CC)[nH]1 ZINC000354062976 350279803 /nfs/dbraw/zinc/27/98/03/350279803.db2.gz FPPNTVPZJKKDMS-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC[C@H](C)CC)n1 ZINC000354062976 350279806 /nfs/dbraw/zinc/27/98/06/350279806.db2.gz FPPNTVPZJKKDMS-MRVPVSSYSA-N 0 1 224.308 2.132 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000606357112 350318384 /nfs/dbraw/zinc/31/83/84/350318384.db2.gz MEZPJLVYJBNLNA-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN C[N@H+]1CCC[C@@H](NC(=O)CCC(C)(C)C)C1 ZINC000606366604 350319979 /nfs/dbraw/zinc/31/99/79/350319979.db2.gz DEGBNMCKLZSWRU-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1[nH+]cn(Cc2cc(C(=O)[O-])ccc2F)c1C ZINC000062757915 180287002 /nfs/dbraw/zinc/28/70/02/180287002.db2.gz FRQXYEBYHVFYNH-UHFFFAOYSA-N 0 1 248.257 2.386 20 0 BEADMN CC1(C[N@H+]2CCCC[C@@H]2C(=O)[O-])CCC1 ZINC000307628808 323329998 /nfs/dbraw/zinc/32/99/98/323329998.db2.gz UWGDIXYNEWHHEU-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CCC[C@@H](O)CNCc1ncc(Cl)s1 ZINC000225345077 350359543 /nfs/dbraw/zinc/35/95/43/350359543.db2.gz YNXBLAYDUWDNTE-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN Cc1ncsc1CNCc1cncc(F)c1 ZINC000309845912 180321656 /nfs/dbraw/zinc/32/16/56/180321656.db2.gz GOESPKNOJWEMRF-UHFFFAOYSA-N 0 1 237.303 2.275 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1cnn(C)c1 ZINC000070837002 180322209 /nfs/dbraw/zinc/32/22/09/180322209.db2.gz NRCJAWOQMQTNPE-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1cnn(C)c1 ZINC000070836998 180322583 /nfs/dbraw/zinc/32/25/83/180322583.db2.gz NRCJAWOQMQTNPE-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1ncsc1CN[C@@H]1CCC[C@@H]1F ZINC000306478788 180322769 /nfs/dbraw/zinc/32/27/69/180322769.db2.gz ZUSNLYHKTXTAIY-DTWKUNHWSA-N 0 1 214.309 2.432 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000162770095 350424154 /nfs/dbraw/zinc/42/41/54/350424154.db2.gz MQRZAUNCBREPOP-QWRGUYRKSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@]1(O)CCN(Cc2cncc(Cl)c2)C1 ZINC000621282263 350452002 /nfs/dbraw/zinc/45/20/02/350452002.db2.gz YYINCRZNCYNOOX-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CCN(Cc1cnns1)[C@H](C)C(C)C ZINC000336699640 350453906 /nfs/dbraw/zinc/45/39/06/350453906.db2.gz WTIVRMXJZCAFRZ-SECBINFHSA-N 0 1 213.350 2.405 20 0 BEADMN CCN(Cc1cnc(C)s1)[C@H]1CCOC1 ZINC000336708873 350461384 /nfs/dbraw/zinc/46/13/84/350461384.db2.gz SIGUINZQSJLDSM-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1nn(C)cc1CN1CCC(F)(F)[C@H](C)C1 ZINC000291574481 180372002 /nfs/dbraw/zinc/37/20/02/180372002.db2.gz OFQBKKBSKIIVMT-SECBINFHSA-N 0 1 243.301 2.206 20 0 BEADMN CCc1noc(C)c1CN(C)C[C@H]1CCCO1 ZINC000163411339 350520681 /nfs/dbraw/zinc/52/06/81/350520681.db2.gz QMYCHPWVIPKRER-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN Cc1ccc(C(=O)CCN(C)[C@@H]2CCOC2)cc1 ZINC000134274648 191108744 /nfs/dbraw/zinc/10/87/44/191108744.db2.gz YWMVGYQXLLFYPX-CQSZACIVSA-N 0 1 247.338 2.289 20 0 BEADMN CCOC(=O)CN1CCC[C@H](CC)CC1 ZINC000070609780 350547730 /nfs/dbraw/zinc/54/77/30/350547730.db2.gz XCOFTRPUCBIPRU-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN CCSCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000577510520 365974911 /nfs/dbraw/zinc/97/49/11/365974911.db2.gz YLZDWJNLLLPVSJ-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@H](N[C@H]1CCSC1)c1nccs1 ZINC000070634009 350557102 /nfs/dbraw/zinc/55/71/02/350557102.db2.gz JXASJEIUWODUSI-YUMQZZPRSA-N 0 1 214.359 2.299 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N(C)[C@@H](C)C1 ZINC000337436667 350585085 /nfs/dbraw/zinc/58/50/85/350585085.db2.gz CTCXCOPVTWJXJX-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCCCOCCN[C@H](C)c1cc(C)n(C)n1 ZINC000337526032 350592716 /nfs/dbraw/zinc/59/27/16/350592716.db2.gz RQSBSMNXZYQUFN-GFCCVEGCSA-N 0 1 239.363 2.196 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000354163040 350634195 /nfs/dbraw/zinc/63/41/95/350634195.db2.gz LAAZHQCCICYPMG-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN Clc1ccc(CSCc2nn[nH]n2)cc1 ZINC000095234310 350656411 /nfs/dbraw/zinc/65/64/11/350656411.db2.gz MMBJIWCIDXSHQZ-UHFFFAOYSA-N 0 1 240.719 2.287 20 0 BEADMN CC(C)Cc1nc([C@@H](N)CC(C)C)no1 ZINC000096892505 350684649 /nfs/dbraw/zinc/68/46/49/350684649.db2.gz IMBLYTYPXCINTO-VIFPVBQESA-N 0 1 211.309 2.314 20 0 BEADMN CCCC[C@H](C(=O)OC)N1C[C@@H](C)[C@@H]1C ZINC000339572569 350765057 /nfs/dbraw/zinc/76/50/57/350765057.db2.gz FQSNYWAWFFKDFR-OUAUKWLOSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000251899903 362980973 /nfs/dbraw/zinc/98/09/73/362980973.db2.gz WHSFFWOFTHUWPA-DGCLKSJQSA-N 0 1 233.311 2.229 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2C[C@@H](C)[C@@H]2C)n1 ZINC000309019715 180499676 /nfs/dbraw/zinc/49/96/76/180499676.db2.gz WICFQAJYLZKMCP-CHIQAWFVSA-N 0 1 209.293 2.073 20 0 BEADMN CCc1nnc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000177575375 366009882 /nfs/dbraw/zinc/00/98/82/366009882.db2.gz KMGPXPVHDLITON-GHMZBOCLSA-N 0 1 235.331 2.254 20 0 BEADMN Clc1cccc(SCc2nn[nH]n2)c1 ZINC000005785097 350783364 /nfs/dbraw/zinc/78/33/64/350783364.db2.gz QXHAUJZTOFQRPP-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN C/C=C\CNCc1cn2ccccc2n1 ZINC000309045175 350788417 /nfs/dbraw/zinc/78/84/17/350788417.db2.gz OAEBJTLTDXULBL-IHWYPQMZSA-N 0 1 201.273 2.000 20 0 BEADMN Cc1nocc1CNCCOCc1ccccc1 ZINC000292943058 180507668 /nfs/dbraw/zinc/50/76/68/180507668.db2.gz AJGLLMJHNBELSD-UHFFFAOYSA-N 0 1 246.310 2.289 20 0 BEADMN CC1(CNCc2nnc(C3CC3)s2)CC1 ZINC000577600681 366013615 /nfs/dbraw/zinc/01/36/15/366013615.db2.gz POXPFNLBFXEHHM-UHFFFAOYSA-N 0 1 223.345 2.305 20 0 BEADMN CC[C@@H](N[C@@H]1CSC1(C)C)c1nccn1C ZINC000283426924 350917960 /nfs/dbraw/zinc/91/79/60/350917960.db2.gz SAQNWIRQGJTOMD-NXEZZACHSA-N 0 1 239.388 2.355 20 0 BEADMN COCCN(C)[C@H](C)c1ccccc1F ZINC000052073708 350928924 /nfs/dbraw/zinc/92/89/24/350928924.db2.gz KDJNOHWJDVSAIJ-SNVBAGLBSA-N 0 1 211.280 2.465 20 0 BEADMN C[C@H](C[N@H+]1CCCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000571291795 350886632 /nfs/dbraw/zinc/88/66/32/350886632.db2.gz VAOWCPMZCLAVMY-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN FCCN[C@H]1CCc2nc(Cl)ccc21 ZINC000306725737 350896683 /nfs/dbraw/zinc/89/66/83/350896683.db2.gz LAUYTDQXSDWSPU-QMMMGPOBSA-N 0 1 214.671 2.281 20 0 BEADMN CCCCCNC(=O)CN1CCC(CC)CC1 ZINC000052279565 350942800 /nfs/dbraw/zinc/94/28/00/350942800.db2.gz VEQDQEZARYADAM-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CCC1CCN(CC(=O)NC2CCCC2)CC1 ZINC000052279756 350942836 /nfs/dbraw/zinc/94/28/36/350942836.db2.gz TYEXIBNJJQLEMB-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1noc(CN(C)[C@H](C)C(C)C)n1 ZINC000642253170 362996166 /nfs/dbraw/zinc/99/61/66/362996166.db2.gz KWLBMSWTIMWUPR-SECBINFHSA-N 0 1 211.309 2.108 20 0 BEADMN C/C=C/CNCc1cc2c(cc1OC)OCO2 ZINC000623740106 351050522 /nfs/dbraw/zinc/05/05/22/351050522.db2.gz MXFYMNBPADLOST-ONEGZZNKSA-N 0 1 235.283 2.090 20 0 BEADMN CCCN(Cc1nnc(C)o1)CC1CC1 ZINC000052891231 351076875 /nfs/dbraw/zinc/07/68/75/351076875.db2.gz SYKSNNVFSIJDIO-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN Cc1cc(CNCc2c[nH]nn2)ccc1Cl ZINC000623578595 363011111 /nfs/dbraw/zinc/01/11/11/363011111.db2.gz OVIKLABQLGZDPX-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN CC[C@H]1CCC[C@@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000398388078 351128147 /nfs/dbraw/zinc/12/81/47/351128147.db2.gz JMAXQJFXERURNL-WDEREUQCSA-N 0 1 222.336 2.111 20 0 BEADMN Cc1cc(CNC[C@H]2CCC[C@@H](C)O2)on1 ZINC000631174512 351228836 /nfs/dbraw/zinc/22/88/36/351228836.db2.gz NJBIQOCPAHNFHI-GHMZBOCLSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ncc(CN2CC[C@]3(CC3(F)F)C2)o1 ZINC000628325777 351256283 /nfs/dbraw/zinc/25/62/83/351256283.db2.gz DWSGMKLYVFVZMC-JTQLQIEISA-N 0 1 228.242 2.214 20 0 BEADMN CO[C@@H](CNCc1cnc(C)o1)c1ccccc1 ZINC000398128010 363016301 /nfs/dbraw/zinc/01/63/01/363016301.db2.gz ZOYQXTXHAFHQCW-AWEZNQCLSA-N 0 1 246.310 2.460 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1nnc(C)o1 ZINC000379929455 351290034 /nfs/dbraw/zinc/29/00/34/351290034.db2.gz NNRMNIBGBNRJEH-UWVGGRQHSA-N 0 1 209.293 2.046 20 0 BEADMN CCc1nc(CSc2c[nH]nn2)cs1 ZINC000268146132 351328215 /nfs/dbraw/zinc/32/82/15/351328215.db2.gz LOSQWPJVDYCLMO-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CC(C)CN(C(=O)c1cnc[nH]1)C1CCCC1 ZINC000265581314 351271325 /nfs/dbraw/zinc/27/13/25/351271325.db2.gz GESFDLHPJWVCTM-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CC1(C)C[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000269878973 351368669 /nfs/dbraw/zinc/36/86/69/351368669.db2.gz XULQSKNEDABTTD-RXMQYKEDSA-N 0 1 247.220 2.413 20 0 BEADMN COc1ccc(CNCc2cccnc2C)cn1 ZINC000237249833 351381194 /nfs/dbraw/zinc/38/11/94/351381194.db2.gz NTRGQHQBBNPFMI-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCC[C@@H](CNCc1nccs1)OCC ZINC000623598701 363035240 /nfs/dbraw/zinc/03/52/40/363035240.db2.gz LHOUPCBQEKBLOY-JTQLQIEISA-N 0 1 228.361 2.438 20 0 BEADMN COc1cccc(CNCc2ccns2)c1 ZINC000404466824 351466786 /nfs/dbraw/zinc/46/67/86/351466786.db2.gz TYDZCDQNRYOKSY-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN c1cc(CNCc2ccc3c(c2)COC3)sn1 ZINC000623597484 363032562 /nfs/dbraw/zinc/03/25/62/363032562.db2.gz NUWDEMOLXPWIHE-UHFFFAOYSA-N 0 1 246.335 2.463 20 0 BEADMN Cn1ccnc1CN[C@H]1CC12CCCCC2 ZINC000386905114 363060154 /nfs/dbraw/zinc/06/01/54/363060154.db2.gz MMLRCOBAKWDPLX-NSHDSACASA-N 0 1 219.332 2.233 20 0 BEADMN C[C@H]1CCN(Cc2cnc(Cl)cn2)[C@H]1C ZINC000307205208 351608559 /nfs/dbraw/zinc/60/85/59/351608559.db2.gz GKZHWXUWTAXPDP-IUCAKERBSA-N 0 1 225.723 2.360 20 0 BEADMN CC[C@H](CC(=O)N1CCNC[C@H]1C)C(C)(C)C ZINC000637815401 351654686 /nfs/dbraw/zinc/65/46/86/351654686.db2.gz AIZPJTHRTJLSJP-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000577738106 366048006 /nfs/dbraw/zinc/04/80/06/366048006.db2.gz OYGVIMLPYTZPHH-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000577738103 366048175 /nfs/dbraw/zinc/04/81/75/366048175.db2.gz OYGVIMLPYTZPHH-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CN(Cc2cn3ccsc3n2)C[C@H]1C ZINC000072872001 351683758 /nfs/dbraw/zinc/68/37/58/351683758.db2.gz WGQQNMGDYNKMAZ-AOOOYVTPSA-N 0 1 235.356 2.484 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1C[C@H](C)[C@@H](C)C1 ZINC000072873053 351689177 /nfs/dbraw/zinc/68/91/77/351689177.db2.gz ZKCOGNXLXPGXIK-OBJOEFQTSA-N 0 1 247.338 2.489 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@H](C(C)(C)C)C2)O1 ZINC000577703622 366039396 /nfs/dbraw/zinc/03/93/96/366039396.db2.gz FPRGHVQNYUASSM-AGIUHOORSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000637842241 351699178 /nfs/dbraw/zinc/69/91/78/351699178.db2.gz SBAFYHNJSQQLFD-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccn(C)n1 ZINC000631702694 363082327 /nfs/dbraw/zinc/08/23/27/363082327.db2.gz KYBOCJJHQVRCMF-MRBYEJRBSA-N 0 1 237.347 2.027 20 0 BEADMN NC1(c2noc(/C=C\c3ccc[nH]3)n2)CCCC1 ZINC000577729706 366045888 /nfs/dbraw/zinc/04/58/88/366045888.db2.gz XRWTUGSOJDHRGK-WAYWQWQTSA-N 0 1 244.298 2.296 20 0 BEADMN CCN([C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000637905732 351778795 /nfs/dbraw/zinc/77/87/95/351778795.db2.gz SQHMWCJPEXDMAD-GFCCVEGCSA-N 0 1 219.332 2.356 20 0 BEADMN Cc1cc(CN)oc1C(=O)NCCCC(C)C ZINC000637916013 351790903 /nfs/dbraw/zinc/79/09/03/351790903.db2.gz BFNQUWVSEMRKHR-UHFFFAOYSA-N 0 1 238.331 2.213 20 0 BEADMN O=c1ccc(CN2CCc3sccc3C2)c[nH]1 ZINC000637886710 351756853 /nfs/dbraw/zinc/75/68/53/351756853.db2.gz MYZLKJBLNAAEAN-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN CCN(C)Cc1ccnn1CC1CCC1 ZINC000637891113 351763172 /nfs/dbraw/zinc/76/31/72/351763172.db2.gz ZVVVKWATZZKAIL-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CN(Cc1ccns1)[C@@H]1CCSC1 ZINC000637901425 351771154 /nfs/dbraw/zinc/77/11/54/351771154.db2.gz LOPHWHMDXCCCGX-MRVPVSSYSA-N 0 1 214.359 2.080 20 0 BEADMN CC[C@@H](NC(=O)CCc1cnc[nH]1)[C@@H]1CC1(C)C ZINC000577840447 366078691 /nfs/dbraw/zinc/07/86/91/366078691.db2.gz XMFMCXLBUBWTTD-NWDGAFQWSA-N 0 1 249.358 2.283 20 0 BEADMN CCc1oc(C(=O)NCc2cn[nH]c2C)cc1C ZINC000178007236 366075928 /nfs/dbraw/zinc/07/59/28/366075928.db2.gz YZLIXVMXKDITBH-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN Cn1cc(CN[C@@H](c2cccnc2)C2CC2)cn1 ZINC000340104057 180651219 /nfs/dbraw/zinc/65/12/19/180651219.db2.gz IMYJEQCHHFGWDJ-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN CCN(Cc1cc(C)ns1)C[C@@H]1CCCO1 ZINC000637966825 351840979 /nfs/dbraw/zinc/84/09/79/351840979.db2.gz XEMBAKAHJBAZFV-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1oc(CN)cc1C ZINC000637985359 351861109 /nfs/dbraw/zinc/86/11/09/351861109.db2.gz DZFQNXWCMVGFHM-VIFPVBQESA-N 0 1 238.331 2.165 20 0 BEADMN COC[C@@H]1CCCN(Cc2ccns2)C1 ZINC000638068737 351940611 /nfs/dbraw/zinc/94/06/11/351940611.db2.gz XSNOPHURRYPRGZ-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN CCN(Cc1cccc(C)c1C)[C@H]1CCNC1=O ZINC000281872424 351913156 /nfs/dbraw/zinc/91/31/56/351913156.db2.gz WLVIYNULIMEWRW-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CCOC[C@H]1CCCN(Cc2ccns2)C1 ZINC000638085182 351961486 /nfs/dbraw/zinc/96/14/86/351961486.db2.gz OSLXZLXMONCWON-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN CN([C@H](c1nccn1C)C1CC1)C1CCC1 ZINC000638089958 351966891 /nfs/dbraw/zinc/96/68/91/351966891.db2.gz STKSACMRNCAYQZ-LBPRGKRZSA-N 0 1 219.332 2.356 20 0 BEADMN Cc1ccc(CN(C)CC[C@H](C)O)c(F)c1 ZINC000638092361 351970935 /nfs/dbraw/zinc/97/09/35/351970935.db2.gz HPCKVUZHXIJNON-NSHDSACASA-N 0 1 225.307 2.337 20 0 BEADMN Cc1ccc(CN(C)CC[C@@H](C)O)c(F)c1 ZINC000638092360 351970973 /nfs/dbraw/zinc/97/09/73/351970973.db2.gz HPCKVUZHXIJNON-LLVKDONJSA-N 0 1 225.307 2.337 20 0 BEADMN CCC[C@H](CN1CCO[C@H](CCC)C1)OC ZINC000638096869 351976746 /nfs/dbraw/zinc/97/67/46/351976746.db2.gz SHIJRNCEMSCYFD-CHWSQXEVSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ncc([C@H](C)N2CCCOC[C@H]2C)c(C)n1 ZINC000638100620 351980892 /nfs/dbraw/zinc/98/08/92/351980892.db2.gz KLYWMWVWAXKGAH-PWSUYJOCSA-N 0 1 249.358 2.265 20 0 BEADMN COc1ncc(C[N@H+]2C[C@H](C)C[C@@H]2C)s1 ZINC000638109055 351986886 /nfs/dbraw/zinc/98/68/86/351986886.db2.gz BXEWJRLLTUHXNP-BDAKNGLRSA-N 0 1 226.345 2.382 20 0 BEADMN Cn1c(C[N@H+]2CC[C@](C)(O)C2)cc2ccccc21 ZINC000638155352 352017227 /nfs/dbraw/zinc/01/72/27/352017227.db2.gz XKFKJJPRZAYVMN-HNNXBMFYSA-N 0 1 244.338 2.135 20 0 BEADMN CCC1CCC(N(C)C(=O)Cc2ccn[nH]2)CC1 ZINC000266115385 352021426 /nfs/dbraw/zinc/02/14/26/352021426.db2.gz GXWBWGSRLIRJSN-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CC(C)=C(C)C ZINC000638158943 352022928 /nfs/dbraw/zinc/02/29/28/352022928.db2.gz NEVZJLROYVWRAP-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN COC(C)(C)CN(C)Cc1cc(C)ns1 ZINC000638173771 352037044 /nfs/dbraw/zinc/03/70/44/352037044.db2.gz JSTDCAIOCGFGOD-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN c1coc(CCNCc2cc(C3CC3)no2)c1 ZINC000638298765 352130724 /nfs/dbraw/zinc/13/07/24/352130724.db2.gz SDEYUNOCOTVKBR-UHFFFAOYSA-N 0 1 232.283 2.477 20 0 BEADMN CCc1cc(CNC[C@@H](OC)[C@H](C)CC)on1 ZINC000638274874 352110207 /nfs/dbraw/zinc/11/02/07/352110207.db2.gz PVXQGFYTFYBHIA-ZWNOBZJWSA-N 0 1 240.347 2.388 20 0 BEADMN CC[C@@](C)(O)CNCc1nc2ccccc2o1 ZINC000638328328 352146262 /nfs/dbraw/zinc/14/62/62/352146262.db2.gz HIEHNDFIGWOAAC-CYBMUJFWSA-N 0 1 234.299 2.078 20 0 BEADMN CCN1CCN(C(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000288411502 352148230 /nfs/dbraw/zinc/14/82/30/352148230.db2.gz LSVXQPUYRSPXOT-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN c1ccc2oc(CNC[C@H]3CCCCO3)nc2c1 ZINC000638426859 352235065 /nfs/dbraw/zinc/23/50/65/352235065.db2.gz LMNYEGNPOVDQPE-LLVKDONJSA-N 0 1 246.310 2.487 20 0 BEADMN CC1(C)C[C@H]1NCc1cc(C2CC2)no1 ZINC000638407763 352212834 /nfs/dbraw/zinc/21/28/34/352212834.db2.gz WSXYXHWUAHTCBJ-LLVKDONJSA-N 0 1 206.289 2.440 20 0 BEADMN CC(C)C[C@H](CO)NCc1nc2ccccc2o1 ZINC000638412911 352223837 /nfs/dbraw/zinc/22/38/37/352223837.db2.gz ULPIOEHPIKIXSQ-LLVKDONJSA-N 0 1 248.326 2.324 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@@H]2CC2(F)F)no1 ZINC000638420890 352228977 /nfs/dbraw/zinc/22/89/77/352228977.db2.gz QEMPORRXEAGPSV-CBAPKCEASA-N 0 1 216.231 2.116 20 0 BEADMN C[C@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000411131628 191161767 /nfs/dbraw/zinc/16/17/67/191161767.db2.gz XLBJBAAFDLQZMP-IACUBPJLSA-N 0 1 217.312 2.263 20 0 BEADMN C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000411131628 191161770 /nfs/dbraw/zinc/16/17/70/191161770.db2.gz XLBJBAAFDLQZMP-IACUBPJLSA-N 0 1 217.312 2.263 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2cccs2)n[nH]1 ZINC000411149901 191164113 /nfs/dbraw/zinc/16/41/13/191164113.db2.gz UBGRDSRWMIRECG-MRVPVSSYSA-N 0 1 236.344 2.368 20 0 BEADMN CCN(Cc1cn2ccccc2n1)C[C@H](C)OC ZINC000291062914 352258141 /nfs/dbraw/zinc/25/81/41/352258141.db2.gz KFGDGBBMZGIOFO-LBPRGKRZSA-N 0 1 247.342 2.191 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)CC1CCCC1 ZINC000638484202 352294262 /nfs/dbraw/zinc/29/42/62/352294262.db2.gz PCHNRLQYTAGMDN-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638487969 352298102 /nfs/dbraw/zinc/29/81/02/352298102.db2.gz SDNWYXWOHHVUPT-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638487963 352298214 /nfs/dbraw/zinc/29/82/14/352298214.db2.gz SDNWYXWOHHVUPT-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nc([C@H](C)N(C)CCC(F)(F)F)n[nH]1 ZINC000411214306 191168967 /nfs/dbraw/zinc/16/89/67/191168967.db2.gz OMRQTUULXDJWQN-LURJTMIESA-N 0 1 236.241 2.058 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H](C)C2)cs1 ZINC000411209123 191169824 /nfs/dbraw/zinc/16/98/24/191169824.db2.gz BGLMRGCJTAFOPE-VIFPVBQESA-N 0 1 239.340 2.377 20 0 BEADMN CCCN(CC(C)C)[C@@H](C)c1nncn1C ZINC000411204931 191170313 /nfs/dbraw/zinc/17/03/13/191170313.db2.gz YUWNSXYTFCUOAX-NSHDSACASA-N 0 1 224.352 2.244 20 0 BEADMN CCN(Cc1cc(F)ccc1F)[C@@H](C)CO ZINC000293518409 352353424 /nfs/dbraw/zinc/35/34/24/352353424.db2.gz VTFOGIMMRLIRLP-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H]1CN(CCc2cncs2)C[C@H](C)O1 ZINC000411266192 191173918 /nfs/dbraw/zinc/17/39/18/191173918.db2.gz XKKMOMVJJAOOQR-QWRGUYRKSA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@H]1CN(CCc2cncs2)C[C@@H](C)O1 ZINC000411266188 191174357 /nfs/dbraw/zinc/17/43/57/191174357.db2.gz XKKMOMVJJAOOQR-MNOVXSKESA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@@H](NCc1occc1C)[C@@H](O)C(F)F ZINC000295008359 352392652 /nfs/dbraw/zinc/39/26/52/352392652.db2.gz JDOCBRZQUBDWHH-PSASIEDQSA-N 0 1 233.258 2.082 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1cc(C2CC2)no1 ZINC000638581190 352412234 /nfs/dbraw/zinc/41/22/34/352412234.db2.gz LYEMFXQPSXJMNH-NOZJJQNGSA-N 0 1 238.331 2.049 20 0 BEADMN CCN(CC1CCC1)[C@H](C)c1nnc(C)[nH]1 ZINC000411674666 191204287 /nfs/dbraw/zinc/20/42/87/191204287.db2.gz YTTDJWMBFAGQQV-SECBINFHSA-N 0 1 222.336 2.296 20 0 BEADMN CO[C@@H](CNCc1cc(C(C)C)no1)C1CC1 ZINC000638597546 352429207 /nfs/dbraw/zinc/42/92/07/352429207.db2.gz ZLDNQRFLYFWZIX-ZDUSSCGKSA-N 0 1 238.331 2.313 20 0 BEADMN CCCN(CC[C@H](C)F)[C@H](C)C(=O)OCC ZINC000411650485 191205033 /nfs/dbraw/zinc/20/50/33/191205033.db2.gz RKFUPEZTOCLQOO-WDEREUQCSA-N 0 1 233.327 2.398 20 0 BEADMN C[C@@H](O)CCNC1(C(F)F)CCCCC1 ZINC000411714895 191205918 /nfs/dbraw/zinc/20/59/18/191205918.db2.gz ADWZQCBDKQUTRM-SECBINFHSA-N 0 1 221.291 2.315 20 0 BEADMN C[C@@H](CNCc1cc(C2CC2)no1)[N@@H+](C)C1CC1 ZINC000638574374 352404439 /nfs/dbraw/zinc/40/44/39/352404439.db2.gz DCKFOEDINWAQHP-JTQLQIEISA-N 0 1 249.358 2.124 20 0 BEADMN CC[C@@H](COC)NCc1cc(C2CC2)no1 ZINC000638669621 352511559 /nfs/dbraw/zinc/51/15/59/352511559.db2.gz FGWWIVNYAPUYLK-JTQLQIEISA-N 0 1 224.304 2.067 20 0 BEADMN C/C=C/CNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000638690012 352525987 /nfs/dbraw/zinc/52/59/87/352525987.db2.gz NSSYFVLQPHFPDN-KXMPLOMGSA-N 0 1 238.718 2.032 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)C1CCC1 ZINC000411818325 191213515 /nfs/dbraw/zinc/21/35/15/191213515.db2.gz IUIVXJQFRKWOBR-SNVBAGLBSA-N 0 1 249.358 2.203 20 0 BEADMN CC(C)=CCN1CCO[C@@H](C2CCC2)C1 ZINC000411878122 191225339 /nfs/dbraw/zinc/22/53/39/191225339.db2.gz RYRYPNRZKASNPZ-CYBMUJFWSA-N 0 1 209.333 2.454 20 0 BEADMN CCSCCN1CCO[C@H](C2CCC2)C1 ZINC000411875732 191226376 /nfs/dbraw/zinc/22/63/76/191226376.db2.gz PFZRRGWPCVLHBM-LBPRGKRZSA-N 0 1 229.389 2.240 20 0 BEADMN FC[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000411854823 191220970 /nfs/dbraw/zinc/22/09/70/191220970.db2.gz YNGYGQPGAKBCGX-KKUMJFAQSA-N 0 1 249.329 2.460 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1ncc(C)cn1)C1CC1 ZINC000411969575 191235651 /nfs/dbraw/zinc/23/56/51/191235651.db2.gz LWBOVJTXYJKRAV-RISCZKNCSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1ncc(C)cn1)C1CC1 ZINC000411969571 191235677 /nfs/dbraw/zinc/23/56/77/191235677.db2.gz LWBOVJTXYJKRAV-BXUZGUMPSA-N 0 1 249.358 2.078 20 0 BEADMN CC[C@H](O)CCNCc1nc2ccccc2o1 ZINC000638765002 352704175 /nfs/dbraw/zinc/70/41/75/352704175.db2.gz ZJHROXJEIXYJNI-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN CCN(Cc1cnc[nH]1)Cc1occc1C ZINC000412027153 191239371 /nfs/dbraw/zinc/23/93/71/191239371.db2.gz OLLHPWWXLYAWNW-UHFFFAOYSA-N 0 1 219.288 2.333 20 0 BEADMN CCN(Cc1ncccn1)C1CC(C)(C)C1 ZINC000412029438 191240815 /nfs/dbraw/zinc/24/08/15/191240815.db2.gz CSWQRAUOBZXMAK-UHFFFAOYSA-N 0 1 219.332 2.487 20 0 BEADMN CCN(CCOCCOC)Cc1occc1C ZINC000412031441 191241049 /nfs/dbraw/zinc/24/10/49/191241049.db2.gz XZTPYMPTXQJFJB-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN COC1([C@@H](C)NCc2nccs2)CCC1 ZINC000412030053 191241793 /nfs/dbraw/zinc/24/17/93/191241793.db2.gz ZALHZBVBJWHMHX-SECBINFHSA-N 0 1 226.345 2.190 20 0 BEADMN CCN1CCN(C(=O)CCC2CCC2)[C@@H](C)C1 ZINC000341769701 352722962 /nfs/dbraw/zinc/72/29/62/352722962.db2.gz AEHXQHQNZHLGJY-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CCN(C(=O)CC(C)(C)CC)[C@H](C)C1 ZINC000341781587 352726517 /nfs/dbraw/zinc/72/65/17/352726517.db2.gz WMEHWOUFALJRJD-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)c2ncnc3[nH]cnc32)C1 ZINC000073772059 352728562 /nfs/dbraw/zinc/72/85/62/352728562.db2.gz FBXJJBYWIFYEPI-NXEZZACHSA-N 0 1 245.330 2.368 20 0 BEADMN Cc1cc(CNC(C)(C)COC(C)C)nn1C ZINC000412035709 191247075 /nfs/dbraw/zinc/24/70/75/191247075.db2.gz LMGICEPOTOBAKC-UHFFFAOYSA-N 0 1 239.363 2.022 20 0 BEADMN C[C@@]1(F)CCN(CCc2cccnc2)C1 ZINC000334177587 352763705 /nfs/dbraw/zinc/76/37/05/352763705.db2.gz CKWXQYCNRKRQTP-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H]2CCCN2C)c2ccccc21 ZINC000334216921 352816751 /nfs/dbraw/zinc/81/67/51/352816751.db2.gz RVLNQWHTPHGZPW-FZMZJTMJSA-N 0 1 244.338 2.231 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCOC3(CCCC3)C2)O1 ZINC000334189102 352778529 /nfs/dbraw/zinc/77/85/29/352778529.db2.gz KQGRHTZBNCFFCG-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@H]1COCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000334191352 352781767 /nfs/dbraw/zinc/78/17/67/352781767.db2.gz IJAXAKUZHVSJEP-LLVKDONJSA-N 0 1 223.291 2.294 20 0 BEADMN C[C@H]1COCCN(Cc2ccc(F)cc2)C1 ZINC000334191352 352781769 /nfs/dbraw/zinc/78/17/69/352781769.db2.gz IJAXAKUZHVSJEP-LLVKDONJSA-N 0 1 223.291 2.294 20 0 BEADMN NCc1cc(C(=O)NC[C@@H]2CCCC23CC3)co1 ZINC000638794201 352829591 /nfs/dbraw/zinc/82/95/91/352829591.db2.gz BJHRORXJANEVHI-NSHDSACASA-N 0 1 248.326 2.048 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc2c[nH]nc21 ZINC000334237336 352855243 /nfs/dbraw/zinc/85/52/43/352855243.db2.gz RWUCWHPYUDWSPH-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1cnc(CN2CCSCC[C@@H]2C)n1C ZINC000342848796 352874591 /nfs/dbraw/zinc/87/45/91/352874591.db2.gz FNTZWXMVWFWACA-JTQLQIEISA-N 0 1 239.388 2.056 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(C)CCCC1 ZINC000334243958 352833099 /nfs/dbraw/zinc/83/30/99/352833099.db2.gz YXEYJSJPXDQXNU-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1 ZINC000334253414 352890411 /nfs/dbraw/zinc/89/04/11/352890411.db2.gz XCGOSYAESQNNTI-GHMZBOCLSA-N 0 1 248.374 2.378 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)nc1 ZINC000334261391 352894210 /nfs/dbraw/zinc/89/42/10/352894210.db2.gz XSXPZWPFUWLJGX-STQMWFEESA-N 0 1 247.386 2.168 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cc(F)ccc1F ZINC000334265972 352901511 /nfs/dbraw/zinc/90/15/11/352901511.db2.gz MCFADNZZFBXDPB-ZANVPECISA-N 0 1 240.297 2.005 20 0 BEADMN Cc1[nH+]ccc(N2CC[N@@H+](C)C[C@@H]2C)c1Cl ZINC000334336182 352971457 /nfs/dbraw/zinc/97/14/57/352971457.db2.gz RWEHMOKWKWBSEF-VIFPVBQESA-N 0 1 239.750 2.184 20 0 BEADMN Cc1ncc(CN(C)[C@@H]2CCCOC2)s1 ZINC000334336768 352972315 /nfs/dbraw/zinc/97/23/15/352972315.db2.gz TZBLSZMNLLWLOT-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2CCCC2)C[C@H]1C ZINC000334352573 352989600 /nfs/dbraw/zinc/98/96/00/352989600.db2.gz HRNKZVYDOGCADC-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000334300386 352937785 /nfs/dbraw/zinc/93/77/85/352937785.db2.gz UJCLPDNKNMUUJZ-SCZZXKLOSA-N 0 1 235.331 2.322 20 0 BEADMN Cn1ccnc1CN1CCC(C)(C)CC1 ZINC000334313890 352944763 /nfs/dbraw/zinc/94/47/63/352944763.db2.gz ZMUPWFQHBSQAGK-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN C[C@@]1(F)CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334313918 352944783 /nfs/dbraw/zinc/94/47/83/352944783.db2.gz ZWCDFHIHUOBGFE-CYBMUJFWSA-N 0 1 233.290 2.497 20 0 BEADMN CCOCCNCc1nc2ccccc2nc1C ZINC000638853683 353025318 /nfs/dbraw/zinc/02/53/18/353025318.db2.gz OVHXLZVRHPVPHO-UHFFFAOYSA-N 0 1 245.326 2.064 20 0 BEADMN CC1=C(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CCC1 ZINC000334375718 353032199 /nfs/dbraw/zinc/03/21/99/353032199.db2.gz DLSXDKHDJPVNTL-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CCCC[C@H](COC)NCc1cc(C)n(C)n1 ZINC000414397663 259432135 /nfs/dbraw/zinc/43/21/35/259432135.db2.gz UVPYNRFKNOAXGU-GFCCVEGCSA-N 0 1 239.363 2.023 20 0 BEADMN N[C@@H](C(=O)N[C@H]1CCCC12CC2)c1ccccc1 ZINC000638830071 353008993 /nfs/dbraw/zinc/00/89/93/353008993.db2.gz BAPDDNLVSGHFMU-QWHCGFSZSA-N 0 1 244.338 2.135 20 0 BEADMN CC(C)=CCCNCc1cn(C(C)C)nn1 ZINC000309731851 187999500 /nfs/dbraw/zinc/99/95/00/187999500.db2.gz FLRIYEUGRLNVFM-UHFFFAOYSA-N 0 1 222.336 2.305 20 0 BEADMN CC(C)N(C(=O)c1ccn[nH]1)C1CCCC1 ZINC000103371333 187977628 /nfs/dbraw/zinc/97/76/28/187977628.db2.gz AAXZCEFISARPIM-UHFFFAOYSA-N 0 1 221.304 2.203 20 0 BEADMN Cc1ccc([C@@H](C)NCC2(C)OCCCO2)o1 ZINC000190673619 188003229 /nfs/dbraw/zinc/00/32/29/188003229.db2.gz ZZBHZTHMXHUJLN-LLVKDONJSA-N 0 1 239.315 2.392 20 0 BEADMN C=Cn1cc(CN2CCS[C@@H](CC)C2)cn1 ZINC000193977995 188005698 /nfs/dbraw/zinc/00/56/98/188005698.db2.gz PMLMZGRVIJCOMO-LBPRGKRZSA-N 0 1 237.372 2.311 20 0 BEADMN C(=C/c1ccncc1)\CN1CC2(C1)CCCOC2 ZINC000334637840 188008047 /nfs/dbraw/zinc/00/80/47/188008047.db2.gz QAAVTXZAWDOXKW-HNQUOIGGSA-N 0 1 244.338 2.207 20 0 BEADMN CC(C)Cc1noc(CN2C[C@@H](C)C[C@H]2C)n1 ZINC000336699022 188011794 /nfs/dbraw/zinc/01/17/94/188011794.db2.gz KTJSMLLSDWSPON-WDEREUQCSA-N 0 1 237.347 2.498 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000337455343 188014596 /nfs/dbraw/zinc/01/45/96/188014596.db2.gz JOXDDOIOMLTFCS-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nccc(N(C)Cc2ncc[nH]2)c1Cl ZINC000336342138 188018880 /nfs/dbraw/zinc/01/88/80/188018880.db2.gz CSVHTELLDHVSJS-UHFFFAOYSA-N 0 1 236.706 2.403 20 0 BEADMN CC(=O)CCN(Cc1ccco1)C(C)C ZINC000269550327 188023872 /nfs/dbraw/zinc/02/38/72/188023872.db2.gz YELPKDHJSWHPFZ-UHFFFAOYSA-N 0 1 209.289 2.469 20 0 BEADMN COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)nn1 ZINC000283009867 188033395 /nfs/dbraw/zinc/03/33/95/188033395.db2.gz GGFNUJGIVBXXCL-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)(C)c1n[nH]c(SCc2cc[nH]n2)n1 ZINC000287571372 188035172 /nfs/dbraw/zinc/03/51/72/188035172.db2.gz PVDJTGAVHWOTOR-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN Cc1nc(CSc2ccc(C)cn2)n[nH]1 ZINC000291555565 188036879 /nfs/dbraw/zinc/03/68/79/188036879.db2.gz BOMUBWCXDFXDOM-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC(C)(O)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000291944156 188036986 /nfs/dbraw/zinc/03/69/86/188036986.db2.gz PWHXQIKGTHLVCT-GFCCVEGCSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)(O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000291944156 188036988 /nfs/dbraw/zinc/03/69/88/188036988.db2.gz PWHXQIKGTHLVCT-GFCCVEGCSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)[C@H](O)CN[C@@H](C)c1c(F)cncc1F ZINC000293183175 188037415 /nfs/dbraw/zinc/03/74/15/188037415.db2.gz DSUFQNNPVKVOSY-GZMMTYOYSA-N 0 1 244.285 2.027 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)CC(C)(C)C ZINC000295191600 188039106 /nfs/dbraw/zinc/03/91/06/188039106.db2.gz OCOGRBQREZJOQK-CYBMUJFWSA-N 0 1 248.370 2.499 20 0 BEADMN CC(C)N(Cc1ccc(F)cc1)C1COC1 ZINC000295973829 188039678 /nfs/dbraw/zinc/03/96/78/188039678.db2.gz IXHKIBWRXHGNLI-UHFFFAOYSA-N 0 1 223.291 2.435 20 0 BEADMN c1[nH]nnc1CN1CCC=C(c2ccccc2)C1 ZINC000295482379 188039882 /nfs/dbraw/zinc/03/98/82/188039882.db2.gz YTJFOUNLHWMDQS-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN CC[C@@H](C(=O)N1CCc2cccc(C)c21)N(C)C ZINC000298519315 188041982 /nfs/dbraw/zinc/04/19/82/188041982.db2.gz IEDITVBREDQDET-ZDUSSCGKSA-N 0 1 246.354 2.224 20 0 BEADMN CC(=O)CCC(=O)Nc1cccc(Cl)c1O ZINC000192981170 188004530 /nfs/dbraw/zinc/00/45/30/188004530.db2.gz FGNAUYZGSBEELQ-UHFFFAOYSA-N 0 1 241.674 2.353 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)c2ccco2)c1 ZINC000336597488 188058612 /nfs/dbraw/zinc/05/86/12/188058612.db2.gz JEXZXAZMKGQXKL-UHFFFAOYSA-N 0 1 245.234 2.440 20 0 BEADMN CCN(Cc1cnn(C)c1)Cc1cccc(N)c1 ZINC000050540164 353172259 /nfs/dbraw/zinc/17/22/59/353172259.db2.gz BNPFKCZJSJKRHS-UHFFFAOYSA-N 0 1 244.342 2.024 20 0 BEADMN CCCC[C@H](CC)CC(=O)N1CCNC[C@@H]1C ZINC000125586027 353179470 /nfs/dbraw/zinc/17/94/70/353179470.db2.gz IWPFYOQWNOXLHN-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN FC(F)C1(CNCc2cscn2)CC1 ZINC000336668260 180899905 /nfs/dbraw/zinc/89/99/05/180899905.db2.gz WQSVISJFMSCTFX-UHFFFAOYSA-N 0 1 218.272 2.278 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)[C@H](N)c1ccccc1 ZINC000638998879 353245304 /nfs/dbraw/zinc/24/53/04/353245304.db2.gz WTJNOWMAHIXONP-SMDDNHRTSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1ccc(NC(=O)c2ncccc2O)c(F)c1 ZINC000037760627 358477487 /nfs/dbraw/zinc/47/74/87/358477487.db2.gz UBPLKKKQPBKBCD-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358739277 188240419 /nfs/dbraw/zinc/24/04/19/188240419.db2.gz PKWYWHKRGAJUKQ-UPJWGTAASA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)(C)n1ncnc1CN1CCC[C@H]1C1CC1 ZINC000374869889 188250792 /nfs/dbraw/zinc/25/07/92/188250792.db2.gz VJRIWWUETSEJQW-LBPRGKRZSA-N 0 1 248.374 2.408 20 0 BEADMN C(NCC1CC1)c1noc2c1CCCC2 ZINC000288494793 188267683 /nfs/dbraw/zinc/26/76/83/188267683.db2.gz RGBRKIRNUXMUCF-UHFFFAOYSA-N 0 1 206.289 2.053 20 0 BEADMN CC(C)[C@H](O)C[N@@H+](C)Cc1cccs1 ZINC000292623883 188268130 /nfs/dbraw/zinc/26/81/30/188268130.db2.gz NAOYIPIMDZJGLJ-LLVKDONJSA-N 0 1 213.346 2.197 20 0 BEADMN CC(C)CNc1cc2c(cn1)CCCC2 ZINC000336770212 353300096 /nfs/dbraw/zinc/30/00/96/353300096.db2.gz WKZRVYWUWGFZJX-UHFFFAOYSA-N 0 1 204.317 2.450 20 0 BEADMN CC(C)=CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449252 188302738 /nfs/dbraw/zinc/30/27/38/188302738.db2.gz CGVUSBDDUDFVMU-CQSZACIVSA-N 0 1 245.322 2.464 20 0 BEADMN FCCNCc1cnc(-c2ccncc2)s1 ZINC000309480523 180933970 /nfs/dbraw/zinc/93/39/70/180933970.db2.gz DJSFZCDDDIWARU-UHFFFAOYSA-N 0 1 237.303 2.264 20 0 BEADMN Cc1cnc(CNC[C@@H](C)c2nccs2)o1 ZINC000639047038 353338589 /nfs/dbraw/zinc/33/85/89/353338589.db2.gz ZPWBHGHJJXOJIO-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CN(Cc1ccc(F)cc1F)C[C@H](O)C1CC1 ZINC000084963910 538115171 /nfs/dbraw/zinc/11/51/71/538115171.db2.gz JOIQMIZSMUZFHJ-ZDUSSCGKSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1cnc(CNC[C@H](C)c2nccs2)o1 ZINC000639047039 353338361 /nfs/dbraw/zinc/33/83/61/353338361.db2.gz ZPWBHGHJJXOJIO-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1nn(C)cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000093499625 188319121 /nfs/dbraw/zinc/31/91/21/188319121.db2.gz LQINHSOGMVEEOI-QWRGUYRKSA-N 0 1 239.388 2.054 20 0 BEADMN CC(C)(O)CCNCc1csc(C2CC2)n1 ZINC000336648333 188340050 /nfs/dbraw/zinc/34/00/50/188340050.db2.gz CLBNPSJIZGVHGC-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN CC(C)(O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000042516569 188324444 /nfs/dbraw/zinc/32/44/44/188324444.db2.gz WAFKLEBITYFJLW-UHFFFAOYSA-N 0 1 225.357 2.483 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1nc2ccccc2o1 ZINC000639056499 353361580 /nfs/dbraw/zinc/36/15/80/353361580.db2.gz NOTMIQUUONKYNI-VUDBWIFFSA-N 0 1 246.310 2.245 20 0 BEADMN Cc1nnc([C@H](C)NCCC[C@@H]2CCO2)s1 ZINC000639058677 353364818 /nfs/dbraw/zinc/36/48/18/353364818.db2.gz DJZUNGCACOGWMJ-WCBMZHEXSA-N 0 1 241.360 2.066 20 0 BEADMN CC(C)(C)c1nc(CNC(C)(C)CO)cs1 ZINC000122377032 188328979 /nfs/dbraw/zinc/32/89/79/188328979.db2.gz DCJWFISXGIGQDY-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1nnc([C@@H](C)NCCC[C@H]2CCO2)s1 ZINC000639058675 353364887 /nfs/dbraw/zinc/36/48/87/353364887.db2.gz DJZUNGCACOGWMJ-SCZZXKLOSA-N 0 1 241.360 2.066 20 0 BEADMN Cc1cnc(CNCCC[C@H]2CCCCO2)o1 ZINC000639047718 353339132 /nfs/dbraw/zinc/33/91/32/353339132.db2.gz PWBGIZBHZODKBH-GFCCVEGCSA-N 0 1 238.331 2.422 20 0 BEADMN CC(C)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000103466649 188336817 /nfs/dbraw/zinc/33/68/17/188336817.db2.gz LQVRCADACTVASP-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)CN(CC)C1CC1 ZINC000343292634 353368837 /nfs/dbraw/zinc/36/88/37/353368837.db2.gz FSSSJCDCAGJERH-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)C[C@@H](C)CN[C@H](C)c1ncn(C)n1 ZINC000309353267 188344597 /nfs/dbraw/zinc/34/45/97/188344597.db2.gz NIIMPYNMZJTLHZ-GHMZBOCLSA-N 0 1 224.352 2.148 20 0 BEADMN Cc1ccc(CN(C)C2CC(O)C2)c(F)c1 ZINC000639059900 353373270 /nfs/dbraw/zinc/37/32/70/353373270.db2.gz JVMRVOGEJPXFLM-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN CC(C)CO[C@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000184617222 188346288 /nfs/dbraw/zinc/34/62/88/188346288.db2.gz NOYNILXWFVJNCY-STQMWFEESA-N 0 1 249.358 2.285 20 0 BEADMN CCCc1csc(CNC[C@@H](O)CCC)n1 ZINC000336747167 188346930 /nfs/dbraw/zinc/34/69/30/188346930.db2.gz XARPGPHOGITIHO-NSHDSACASA-N 0 1 242.388 2.346 20 0 BEADMN CC(C)Cc1nsc(NCCCCF)n1 ZINC000336764638 188352442 /nfs/dbraw/zinc/35/24/42/188352442.db2.gz QJDMKMSJQBXSHA-UHFFFAOYSA-N 0 1 231.340 2.320 20 0 BEADMN CC(C)[N@@H+](C/C=C/c1ccccc1)CC(=O)[O-] ZINC000037995320 188355071 /nfs/dbraw/zinc/35/50/71/188355071.db2.gz HBDIMFVROWTRLL-RMKNXTFCSA-N 0 1 233.311 2.495 20 0 BEADMN C/C(=C\C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000268965339 188373962 /nfs/dbraw/zinc/37/39/62/188373962.db2.gz KODOEQFDLQNBCU-YPUOHESYSA-N 0 1 245.326 2.260 20 0 BEADMN CC(C)COCCN1CC[C@](C)(F)C1 ZINC000337323956 188361798 /nfs/dbraw/zinc/36/17/98/188361798.db2.gz SVJKXTUSYGIWBO-NSHDSACASA-N 0 1 203.301 2.093 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000337455336 188363255 /nfs/dbraw/zinc/36/32/55/188363255.db2.gz JOXDDOIOMLTFCS-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CSCCCN1CC[C@@](F)(CO)C1 ZINC000338628079 188366268 /nfs/dbraw/zinc/36/62/68/188366268.db2.gz UXAOSHTUKLAQKE-LBPRGKRZSA-N 0 1 249.395 2.172 20 0 BEADMN C(C1CCC1)[C@H]1COCCN1C[C@H]1CCCO1 ZINC000339770296 188369812 /nfs/dbraw/zinc/36/98/12/188369812.db2.gz AXCNEBHSGFUPBP-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)C[C@@H]1NCc1nccn1CC(F)(F)F ZINC000264232519 188370939 /nfs/dbraw/zinc/37/09/39/188370939.db2.gz CCIDHMMGKXEEEX-QMMMGPOBSA-N 0 1 247.264 2.334 20 0 BEADMN CCc1ncc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)s1 ZINC000289564051 188389738 /nfs/dbraw/zinc/38/97/38/188389738.db2.gz SAJTXLYYHJQVEG-AOOOYVTPSA-N 0 1 240.372 2.315 20 0 BEADMN CCc1ncc(CN(C)[C@H]2C[C@@H](OC)C2)s1 ZINC000289564051 188389740 /nfs/dbraw/zinc/38/97/40/188389740.db2.gz SAJTXLYYHJQVEG-AOOOYVTPSA-N 0 1 240.372 2.315 20 0 BEADMN COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)nc1 ZINC000272029694 188377704 /nfs/dbraw/zinc/37/77/04/188377704.db2.gz WHUHYHAGAVLGRK-PHIMTYICSA-N 0 1 220.316 2.178 20 0 BEADMN CC(C)N1CCCC[C@H]1C(=O)NCC(C)(F)F ZINC000563742543 353453740 /nfs/dbraw/zinc/45/37/40/353453740.db2.gz NOXKPTAPNKNUCL-JTQLQIEISA-N 0 1 248.317 2.021 20 0 BEADMN C[C@H]1COc2ccccc2CN1Cc1cnc[nH]1 ZINC000280170767 188383617 /nfs/dbraw/zinc/38/36/17/188383617.db2.gz FZOBNYKNWBWFKT-NSHDSACASA-N 0 1 243.310 2.193 20 0 BEADMN C[C@@]1(O)C[C@H](Nc2cc[nH+]c3c([O-])cccc23)C1 ZINC000642296146 363227068 /nfs/dbraw/zinc/22/70/68/363227068.db2.gz HIIHYSRVJNVTRL-DEZZCRIOSA-N 0 1 244.294 2.266 20 0 BEADMN CC(C)C[C@@H](C)N(C)Cc1nccn1C ZINC000299622563 188397206 /nfs/dbraw/zinc/39/72/06/188397206.db2.gz QUAFWAXLKBQATC-LLVKDONJSA-N 0 1 209.337 2.287 20 0 BEADMN CC1(C)C[C@@H]1N[C@H](c1cccs1)c1nnc[nH]1 ZINC000294697082 188392575 /nfs/dbraw/zinc/39/25/75/188392575.db2.gz IVIQRBJKLDKJPQ-VHSXEESVSA-N 0 1 248.355 2.344 20 0 BEADMN CCOC1CC(CCNCc2ncc(C)o2)C1 ZINC000639094013 353476869 /nfs/dbraw/zinc/47/68/69/353476869.db2.gz NJRAYTLKYSZJDI-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN c1ccc(CCCN(C2CC2)C2COC2)cc1 ZINC000295425768 188393688 /nfs/dbraw/zinc/39/36/88/188393688.db2.gz NRWLTSGTNBFHNQ-UHFFFAOYSA-N 0 1 231.339 2.482 20 0 BEADMN CC(C)(C)c1cnc(CN[C@H]2C[C@@H](O)C2)s1 ZINC000294794490 188393891 /nfs/dbraw/zinc/39/38/91/188393891.db2.gz HVZDJHUMIZSLID-DTORHVGOSA-N 0 1 240.372 2.054 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC(C2CCCC2)CC1 ZINC000608171602 353508961 /nfs/dbraw/zinc/50/89/61/353508961.db2.gz FKNNPFMQDJCUOW-UHFFFAOYSA-N 0 1 247.342 2.452 20 0 BEADMN CC(=O)c1cc(CN2C[C@H](C)[C@H](C)[C@H]2C)on1 ZINC000577861945 366089184 /nfs/dbraw/zinc/08/91/84/366089184.db2.gz RPAIOEKGNPFNNP-LPEHRKFASA-N 0 1 236.315 2.354 20 0 BEADMN C[C@H](C[NH2+]Cc1cnn[n-]1)C1CCCCC1 ZINC000398416585 363235987 /nfs/dbraw/zinc/23/59/87/363235987.db2.gz SQWCIUJQALYCJP-SNVBAGLBSA-N 0 1 222.336 2.111 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H](O)CC1CCCC1 ZINC000190721341 353634486 /nfs/dbraw/zinc/63/44/86/353634486.db2.gz GKBLMMYSJVWJOU-MBNYWOFBSA-N 0 1 241.375 2.037 20 0 BEADMN CC(=O)c1cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)on1 ZINC000577861942 366089958 /nfs/dbraw/zinc/08/99/58/366089958.db2.gz RPAIOEKGNPFNNP-AEJSXWLSSA-N 0 1 236.315 2.354 20 0 BEADMN Cc1ccc2oc(N3CCN(C)C[C@H]3C)nc2c1 ZINC000334515806 353611553 /nfs/dbraw/zinc/61/15/53/353611553.db2.gz HLHDMNRJHFNHSV-LLVKDONJSA-N 0 1 245.326 2.277 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1cn2ccccc2n1 ZINC000577874705 366094323 /nfs/dbraw/zinc/09/43/23/366094323.db2.gz UEKVKSVPPXLKLB-GHMZBOCLSA-N 0 1 233.315 2.020 20 0 BEADMN C[C@@H]1CCN(Cc2ccns2)CCS1 ZINC000639106350 353619952 /nfs/dbraw/zinc/61/99/52/353619952.db2.gz VCAHZYSNYICACH-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN CCC(CC)CN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000353804532 353661533 /nfs/dbraw/zinc/66/15/33/353661533.db2.gz MYIWFHSGRNJZAP-PGUXBMHVSA-N 0 1 231.405 2.264 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2CC3(CC3)C2)c1 ZINC000613441024 363244672 /nfs/dbraw/zinc/24/46/72/363244672.db2.gz PGUACQJZFWFXCC-UHFFFAOYSA-N 0 1 245.326 2.276 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@H]1CC2CCC1CC2 ZINC000398472242 363250629 /nfs/dbraw/zinc/25/06/29/363250629.db2.gz XOOMLSMTHYOKMK-HHISKICNSA-N 0 1 234.347 2.109 20 0 BEADMN Fc1cccc2c1CCN(C[C@H]1CCCO1)C2 ZINC000152870077 181005143 /nfs/dbraw/zinc/00/51/43/181005143.db2.gz GCWVDOHIFFVLAS-GFCCVEGCSA-N 0 1 235.302 2.363 20 0 BEADMN Fc1cccc2c1CN(C[C@H]1CCCO1)CC2 ZINC000157993021 181007047 /nfs/dbraw/zinc/00/70/47/181007047.db2.gz OZZSHGBXYSABFD-GFCCVEGCSA-N 0 1 235.302 2.363 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)CN(CC)C1CC1 ZINC000343326965 353721518 /nfs/dbraw/zinc/72/15/18/353721518.db2.gz ZLCXEDYZAQAAAL-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN COCCc1ncc(CN2[C@@H](C)C[C@@H]2C)s1 ZINC000639119835 353757654 /nfs/dbraw/zinc/75/76/54/353757654.db2.gz DGYFRPGYXVAXGC-UWVGGRQHSA-N 0 1 240.372 2.315 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639120143 353767067 /nfs/dbraw/zinc/76/70/67/353767067.db2.gz FWNCSPUGXKAHQP-AOOOYVTPSA-N 0 1 246.310 2.114 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC000178306047 366113471 /nfs/dbraw/zinc/11/34/71/366113471.db2.gz HDEDEBLKSYCSJD-QWRGUYRKSA-N 0 1 247.342 2.234 20 0 BEADMN CCc1nc(CNCc2[nH]ncc2C)cs1 ZINC000336783267 353745742 /nfs/dbraw/zinc/74/57/42/353745742.db2.gz ZYCQZBBGMGBEPR-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CCCC[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC000083854660 353795434 /nfs/dbraw/zinc/79/54/34/353795434.db2.gz JNFCHEPOODNUOG-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN FCCNCc1ccc(C(F)F)nc1 ZINC000639133393 353843842 /nfs/dbraw/zinc/84/38/42/353843842.db2.gz OMUQTCDVDMRYIQ-UHFFFAOYSA-N 0 1 204.195 2.078 20 0 BEADMN CC(C)n1nccc1CN1CCCO[C@@H](C)C1 ZINC000334525967 353898783 /nfs/dbraw/zinc/89/87/83/353898783.db2.gz HFLREUTZPDDGMG-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC[C@@H]1C1CC1 ZINC000334526635 353899789 /nfs/dbraw/zinc/89/97/89/353899789.db2.gz NPZYOZPMBQGEEB-GFCCVEGCSA-N 0 1 241.294 2.187 20 0 BEADMN CSCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178519731 366133548 /nfs/dbraw/zinc/13/35/48/366133548.db2.gz OLONKPBNZLPQBZ-JTQLQIEISA-N 0 1 245.388 2.013 20 0 BEADMN Cc1nc([C@H](C)N2CCc3ccsc3C2)n[nH]1 ZINC000334553679 353997060 /nfs/dbraw/zinc/99/70/60/353997060.db2.gz JFUUJDSWNNLWKZ-QMMMGPOBSA-N 0 1 248.355 2.294 20 0 BEADMN CCN(C(=O)c1cnc(C2CC2)[nH]1)C1CCC1 ZINC000343761101 353976213 /nfs/dbraw/zinc/97/62/13/353976213.db2.gz TUZCGURMRUTHEK-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCCC[C@H]1C ZINC000248453265 353985152 /nfs/dbraw/zinc/98/51/52/353985152.db2.gz GVYKMFFKGBNLNK-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN Clc1cnn(CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000334547628 353985521 /nfs/dbraw/zinc/98/55/21/353985521.db2.gz HEWHINOWVCCJCD-PHIMTYICSA-N 0 1 239.750 2.268 20 0 BEADMN CC(=O)N1CCC[C@@H](CNc2cc(C)ccn2)C1 ZINC000334548839 353987760 /nfs/dbraw/zinc/98/77/60/353987760.db2.gz LWSXZAWGAZQDQR-ZDUSSCGKSA-N 0 1 247.342 2.060 20 0 BEADMN CC(C)OC1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000334553330 353995880 /nfs/dbraw/zinc/99/58/80/353995880.db2.gz LIWOYWACEUJFCH-MPEURRAXSA-N 0 1 227.348 2.052 20 0 BEADMN CC(C)CN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343646212 353952833 /nfs/dbraw/zinc/95/28/33/353952833.db2.gz KLNAJFOGUUXZPZ-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN OC[C@H]1CSCC[N@H+]1C/C=C\c1ccccc1 ZINC000343727193 353960094 /nfs/dbraw/zinc/96/00/94/353960094.db2.gz HZACQPZDAPPTME-ZBKLQPJUSA-N 0 1 249.379 2.110 20 0 BEADMN OC[C@H]1CSCCN1C/C=C\c1ccccc1 ZINC000343727193 353960095 /nfs/dbraw/zinc/96/00/95/353960095.db2.gz HZACQPZDAPPTME-ZBKLQPJUSA-N 0 1 249.379 2.110 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C)CC2)[nH]1 ZINC000334556051 354001888 /nfs/dbraw/zinc/00/18/88/354001888.db2.gz KGBACSRVRRCWHB-NXEZZACHSA-N 0 1 222.336 2.296 20 0 BEADMN CCN(CC(=O)N1CC[C@](C)(CC)C1)C1CC1 ZINC000343825951 354016002 /nfs/dbraw/zinc/01/60/02/354016002.db2.gz IMGNDURVJBOHPA-AWEZNQCLSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344023341 354084967 /nfs/dbraw/zinc/08/49/67/354084967.db2.gz TTZVKOLXIVUVEM-CMPLNLGQSA-N 0 1 238.375 2.022 20 0 BEADMN CCn1nncc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000334565840 354086687 /nfs/dbraw/zinc/08/66/87/354086687.db2.gz YOAYLVKLUPLBRZ-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@H]1CC=CCC1 ZINC000344066482 354130523 /nfs/dbraw/zinc/13/05/23/354130523.db2.gz PFWXAYCGNIODJE-NSHDSACASA-N 0 1 205.305 2.198 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CCC[C@@H](C2CC2)C1 ZINC000344100532 354132296 /nfs/dbraw/zinc/13/22/96/354132296.db2.gz NHBJBWURSSKWMT-GFCCVEGCSA-N 0 1 246.358 2.304 20 0 BEADMN C=Cn1cc(CN2C[C@@H](C)S[C@@H](C)C2)cn1 ZINC000334570228 354097605 /nfs/dbraw/zinc/09/76/05/354097605.db2.gz IOPVWBSDYRDVJX-PHIMTYICSA-N 0 1 237.372 2.309 20 0 BEADMN CCC(CC)N(CC)Cc1nnc(C)n1C ZINC000344034413 354099507 /nfs/dbraw/zinc/09/95/07/354099507.db2.gz RHOAEPMYTJNSFZ-UHFFFAOYSA-N 0 1 224.352 2.134 20 0 BEADMN Clc1cnn(CCN2CCC23CCC3)c1 ZINC000334560370 354112328 /nfs/dbraw/zinc/11/23/28/354112328.db2.gz MQGKJQFRDYHDPR-UHFFFAOYSA-N 0 1 225.723 2.165 20 0 BEADMN C[C@@H]1Cc2ccccc2[C@H]1NCc1cnccn1 ZINC000334560772 354113374 /nfs/dbraw/zinc/11/33/74/354113374.db2.gz FYMRUYPZKILSEQ-ABAIWWIYSA-N 0 1 239.322 2.500 20 0 BEADMN C[C@H]1Cc2ccccc2[C@@H]1NCc1cnccn1 ZINC000334560794 354113629 /nfs/dbraw/zinc/11/36/29/354113629.db2.gz FYMRUYPZKILSEQ-XHDPSFHLSA-N 0 1 239.322 2.500 20 0 BEADMN C[C@H]1CCC[C@@H]1CNCc1csnn1 ZINC000230658165 363317832 /nfs/dbraw/zinc/31/78/32/363317832.db2.gz ZURWCJIWDQSWRL-DTWKUNHWSA-N 0 1 211.334 2.064 20 0 BEADMN CC(C)(C)c1nc(CN2CCC3(CCC3)C2)n[nH]1 ZINC000334578471 354123352 /nfs/dbraw/zinc/12/33/52/354123352.db2.gz JOILBBWRMQBJMX-UHFFFAOYSA-N 0 1 248.374 2.478 20 0 BEADMN Cc1nc([C@H](C)Sc2ccncc2)n[nH]1 ZINC000334579296 354126772 /nfs/dbraw/zinc/12/67/72/354126772.db2.gz OXHQMSYHZOQWSQ-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN O=C(Nc1nccs1)c1cnc2ccc[nH]c1-2 ZINC000344169479 354170553 /nfs/dbraw/zinc/17/05/53/354170553.db2.gz GPLKBFDKMRNYGX-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC[C@@H](COC)NCc1cnc(C2CC2)o1 ZINC000449709254 202007853 /nfs/dbraw/zinc/00/78/53/202007853.db2.gz YMXSBUDEPWHJHW-JTQLQIEISA-N 0 1 224.304 2.067 20 0 BEADMN CC[C@@H](COC)N[C@@H]1COc2ccc(F)cc21 ZINC000344099184 354140713 /nfs/dbraw/zinc/14/07/13/354140713.db2.gz KLCTUTCECPHRTO-CMPLNLGQSA-N 0 1 239.290 2.274 20 0 BEADMN CC[C@H](COC)N[C@H]1COc2ccc(F)cc21 ZINC000344099187 354140827 /nfs/dbraw/zinc/14/08/27/354140827.db2.gz KLCTUTCECPHRTO-PWSUYJOCSA-N 0 1 239.290 2.274 20 0 BEADMN Fc1cncc(CNCCC(F)(F)F)c1 ZINC000230941344 363330746 /nfs/dbraw/zinc/33/07/46/363330746.db2.gz UCBUGSQQEIEJDK-UHFFFAOYSA-N 0 1 222.185 2.263 20 0 BEADMN CC(C)OC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449703430 202005632 /nfs/dbraw/zinc/00/56/32/202005632.db2.gz GCMOLBJLJMSPBD-JTQLQIEISA-N 0 1 238.331 2.455 20 0 BEADMN CCSCCNCc1cnc(C2CC2)o1 ZINC000449707049 202006726 /nfs/dbraw/zinc/00/67/26/202006726.db2.gz PNTKOMAFLXFXAT-UHFFFAOYSA-N 0 1 226.345 2.395 20 0 BEADMN NC1(c2noc([C@]34C[C@H]3CCC4)n2)CCCC1 ZINC000334587852 354213568 /nfs/dbraw/zinc/21/35/68/354213568.db2.gz QJVAKYIICZYVFG-BXKDBHETSA-N 0 1 233.315 2.239 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623181181 354264055 /nfs/dbraw/zinc/26/40/55/354264055.db2.gz QFWUZFFIPFIPBR-ZYHUDNBSSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)n(C)n1 ZINC000334598510 354233765 /nfs/dbraw/zinc/23/37/65/354233765.db2.gz LXNGIHGDYJVKDG-PHIMTYICSA-N 0 1 239.388 2.054 20 0 BEADMN CC(C)c1ncc(CNc2ncc(F)cn2)[nH]1 ZINC001640458684 1172172514 /nfs/dbraw/zinc/17/25/14/1172172514.db2.gz GLRDXZXEULAMKO-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN Cc1ccc2nc(NC(=O)COC(C)C)[nH]c2c1 ZINC000344537632 354285300 /nfs/dbraw/zinc/28/53/00/354285300.db2.gz WFTDBFCGMAPWBB-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN CCn1cncc1CN1CCS[C@H](C)[C@@H]1C ZINC000334611863 354294926 /nfs/dbraw/zinc/29/49/26/354294926.db2.gz UMIBRJZLGFQNAN-WDEREUQCSA-N 0 1 239.388 2.229 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000334613040 354297163 /nfs/dbraw/zinc/29/71/63/354297163.db2.gz AKJCKYPMQWEBHF-LBPRGKRZSA-N 0 1 207.321 2.340 20 0 BEADMN CCOCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344472776 354268363 /nfs/dbraw/zinc/26/83/63/354268363.db2.gz FPBLAWMKRGBLDF-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN COc1ncc(CN2CCCC3(CC3)C2)c(C)n1 ZINC000366865942 354268867 /nfs/dbraw/zinc/26/88/67/354268867.db2.gz PSBKPMYUGWCGIJ-UHFFFAOYSA-N 0 1 247.342 2.170 20 0 BEADMN c1csc(CN2CC3(C2)CCCOC3)c1 ZINC000334600772 354278494 /nfs/dbraw/zinc/27/84/94/354278494.db2.gz WRUSMGIHOZEQJK-UHFFFAOYSA-N 0 1 223.341 2.361 20 0 BEADMN CC[C@@H](NCc1c[nH]nc1C)c1ccncc1 ZINC000344548394 354314952 /nfs/dbraw/zinc/31/49/52/354314952.db2.gz IPVDQOGCVOCHSQ-CYBMUJFWSA-N 0 1 230.315 2.354 20 0 BEADMN Cc1ccc(CN2CCC(C)=C(C)C2)nn1 ZINC000334610090 354317641 /nfs/dbraw/zinc/31/76/41/354317641.db2.gz RGDSSOKWRBLRQF-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344591745 354321229 /nfs/dbraw/zinc/32/12/29/354321229.db2.gz YILWWAAIYNLYLV-XQQFMLRXSA-N 0 1 240.391 2.362 20 0 BEADMN CN(C)CC(=O)NCC1(C)CCC(C)(C)CC1 ZINC000412616181 191300771 /nfs/dbraw/zinc/30/07/71/191300771.db2.gz RYUDPYALPSXLEZ-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCOc1cccc(CNCc2ccn(C)c2)n1 ZINC000344614205 354326636 /nfs/dbraw/zinc/32/66/36/354326636.db2.gz QOVLPMOXEVVPOW-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CCOC1CC(N(C)Cc2ccns2)C1 ZINC000639181841 354331309 /nfs/dbraw/zinc/33/13/09/354331309.db2.gz BWSHRNXHSSHCJW-UHFFFAOYSA-N 0 1 226.345 2.142 20 0 BEADMN COc1cccc(C)c1CN[C@H](C)CF ZINC000639182899 354340078 /nfs/dbraw/zinc/34/00/78/354340078.db2.gz MBGVBRCLBBNQCI-SNVBAGLBSA-N 0 1 211.280 2.451 20 0 BEADMN CO[C@H]1CCC[C@@H]1Sc1nc(C2CC2)n[nH]1 ZINC000344728068 354345647 /nfs/dbraw/zinc/34/56/47/354345647.db2.gz HUCSFQKKNKVSAV-IUCAKERBSA-N 0 1 239.344 2.342 20 0 BEADMN CO[C@H]1CCC[C@@H]1Sc1n[nH]c(C2CC2)n1 ZINC000344728068 354345650 /nfs/dbraw/zinc/34/56/50/354345650.db2.gz HUCSFQKKNKVSAV-IUCAKERBSA-N 0 1 239.344 2.342 20 0 BEADMN Cn1cc([C@@H](NCc2c[nH]cn2)C(C)(C)C)cn1 ZINC000344802781 354378098 /nfs/dbraw/zinc/37/80/98/354378098.db2.gz DZTWEJXMQGEUGF-GFCCVEGCSA-N 0 1 247.346 2.020 20 0 BEADMN CCOCC(C)(C)CNCc1ncc(C)o1 ZINC000639185998 354380105 /nfs/dbraw/zinc/38/01/05/354380105.db2.gz HKDRIDOBQODPLG-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CC(C)n1ncnc1CN1CCCC[C@H](C)C1 ZINC000334640279 354395340 /nfs/dbraw/zinc/39/53/40/354395340.db2.gz FOKBWIRFEWLMCF-LBPRGKRZSA-N 0 1 236.363 2.481 20 0 BEADMN C[N@H+](CC(=O)[O-])C[C@H]1CCCC(C)(C)C1 ZINC000578045814 366202313 /nfs/dbraw/zinc/20/23/13/366202313.db2.gz UQDQGBYYXHFJSJ-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H](C)[C@@H]1C ZINC000334668495 354408756 /nfs/dbraw/zinc/40/87/56/354408756.db2.gz AHFFSLHAMFLZOV-QWRGUYRKSA-N 0 1 222.336 2.089 20 0 BEADMN C[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC000334669442 354409828 /nfs/dbraw/zinc/40/98/28/354409828.db2.gz VAHCJEGDVDPBNZ-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN CC1=CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334673301 354416234 /nfs/dbraw/zinc/41/62/34/354416234.db2.gz RJSSBZMMHRHLTA-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN CC(C)C1(CN2CCn3cncc3C2)CC1 ZINC000639190505 354429081 /nfs/dbraw/zinc/42/90/81/354429081.db2.gz AWPGSTRZSXFSBG-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN Cc1noc(CN2CCC[C@@H](C(C)C)C2)n1 ZINC000334683686 354429445 /nfs/dbraw/zinc/42/94/45/354429445.db2.gz FFPXKOKLMUSIEM-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nccc(N2CCO[C@@H](CF)C2)c1Cl ZINC000334658592 354454247 /nfs/dbraw/zinc/45/42/47/354454247.db2.gz IYHQSINCQRZHHZ-VIFPVBQESA-N 0 1 244.697 2.218 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)CC(C)(C)C)CCN1C ZINC000334658370 354454297 /nfs/dbraw/zinc/45/42/97/354454297.db2.gz CKVKQCCRNKYITG-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334659320 354455988 /nfs/dbraw/zinc/45/59/88/354455988.db2.gz ITTQXKSVXKWUQS-DTORHVGOSA-N 0 1 222.336 2.085 20 0 BEADMN Cc1ccc(CN2CC[C@@H](n3cccn3)C2)cn1 ZINC000334748260 354473046 /nfs/dbraw/zinc/47/30/46/354473046.db2.gz OICZZOHWOOPVGM-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)n1 ZINC000334690690 354479239 /nfs/dbraw/zinc/47/92/39/354479239.db2.gz RFTGPTTZMDQIRD-DABQJJPHSA-N 0 1 234.343 2.124 20 0 BEADMN CCc1nnc(CN2[C@@H](C)CCC2(C)C)[nH]1 ZINC000334691896 354481630 /nfs/dbraw/zinc/48/16/30/354481630.db2.gz HSUTYOKLJGYWNW-VIFPVBQESA-N 0 1 222.336 2.130 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)n[nH]1 ZINC000334742819 354546145 /nfs/dbraw/zinc/54/61/45/354546145.db2.gz IAPKYJGJSNFGAH-WCQYABFASA-N 0 1 249.358 2.471 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2occc2C)C[C@H]1C ZINC000334738451 354540668 /nfs/dbraw/zinc/54/06/68/354540668.db2.gz LWVAAWSDNRLFHX-NEPJUHHUSA-N 0 1 223.316 2.445 20 0 BEADMN C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334700089 354493018 /nfs/dbraw/zinc/49/30/18/354493018.db2.gz URLPNFDWZXXGIN-PWSUYJOCSA-N 0 1 221.300 2.187 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)cs2)C[C@@H]1C ZINC000334741012 354544493 /nfs/dbraw/zinc/54/44/93/354544493.db2.gz XYYNHLGVDIRIMP-GXSJLCMTSA-N 0 1 240.372 2.308 20 0 BEADMN CC(C)OC1CC(N2CCOC(C)(C)C2)C1 ZINC000334715280 354513496 /nfs/dbraw/zinc/51/34/96/354513496.db2.gz LBQVTLSRVSWUCJ-UHFFFAOYSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@H]1CCCCCN1Cc1nnc2n1CCCC2 ZINC000334815787 354573586 /nfs/dbraw/zinc/57/35/86/354573586.db2.gz GVCOHOGONCEMER-LBPRGKRZSA-N 0 1 248.374 2.379 20 0 BEADMN COc1cncc(CN2CC(C3CC3)C2)c1C ZINC000639197843 354599283 /nfs/dbraw/zinc/59/92/83/354599283.db2.gz XZZHMCRIXKBBGF-UHFFFAOYSA-N 0 1 232.327 2.240 20 0 BEADMN Cc1cc(CN2CC[C@H](n3cccn3)C2)sn1 ZINC000639198404 354599852 /nfs/dbraw/zinc/59/98/52/354599852.db2.gz PSBVMBAMIHTBRE-NSHDSACASA-N 0 1 248.355 2.095 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC(C2CC2)C1 ZINC000639197436 354601178 /nfs/dbraw/zinc/60/11/78/354601178.db2.gz UVZKEVJBHIELGA-ZDUSSCGKSA-N 0 1 231.343 2.213 20 0 BEADMN CCn1nncc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000334795024 354548455 /nfs/dbraw/zinc/54/84/55/354548455.db2.gz LHLYMAQYXCUGSI-OCCSQVGLSA-N 0 1 248.374 2.453 20 0 BEADMN Cc1ccoc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000335098551 354638909 /nfs/dbraw/zinc/63/89/09/354638909.db2.gz HECURVXLBMHOOH-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@H]1CCN1Cc1cnc(CCOC)s1 ZINC000639202624 354607578 /nfs/dbraw/zinc/60/75/78/354607578.db2.gz HFRITTGEHNBLBF-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335083138 354616808 /nfs/dbraw/zinc/61/68/08/354616808.db2.gz UVCJKVQOWCPZMC-MRVPVSSYSA-N 0 1 247.273 2.327 20 0 BEADMN Cc1nccc(N2CCOC[C@@H]2C)c1Cl ZINC000335104958 354688812 /nfs/dbraw/zinc/68/88/12/354688812.db2.gz OICXNBRKOFCGCH-QMMMGPOBSA-N 0 1 226.707 2.269 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335108291 354693922 /nfs/dbraw/zinc/69/39/22/354693922.db2.gz FSVGGGUASJBLEQ-JGVFFNPUSA-N 0 1 247.273 2.182 20 0 BEADMN COC1(C)CN(c2ccnc(C)c2Cl)C1 ZINC000335110443 354697076 /nfs/dbraw/zinc/69/70/76/354697076.db2.gz PHRUOILGBLZHRO-UHFFFAOYSA-N 0 1 226.707 2.269 20 0 BEADMN CCN(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000335115076 354704159 /nfs/dbraw/zinc/70/41/59/354704159.db2.gz BCPODKLMWIMBQY-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN CCCN(CC1CC1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000345632948 354719388 /nfs/dbraw/zinc/71/93/88/354719388.db2.gz CJNHGFMKCUEGTA-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN CC[C@@H](NCc1nc2ccccc2o1)C(C)(C)O ZINC000639209711 354740923 /nfs/dbraw/zinc/74/09/23/354740923.db2.gz ZXNCVUDOAWFNEF-GFCCVEGCSA-N 0 1 248.326 2.467 20 0 BEADMN CCN(CCO)Cc1ccc(C)cc1Cl ZINC000233465908 363402147 /nfs/dbraw/zinc/40/21/47/363402147.db2.gz DVKOOXFFKIQLDJ-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN CCC1(CC)CN(C[C@H](O)C(F)(F)F)C1 ZINC000232885899 363387276 /nfs/dbraw/zinc/38/72/76/363387276.db2.gz ICMOYLSWJUHVEW-QMMMGPOBSA-N 0 1 225.254 2.032 20 0 BEADMN CCc1cnc(CN2CC[C@H](COC)C2)s1 ZINC000346189889 354875991 /nfs/dbraw/zinc/87/59/91/354875991.db2.gz AFWOFQIEHROAHU-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H](N[C@H]1C=CCCC1)c1ccn(C)n1 ZINC000335142024 354847100 /nfs/dbraw/zinc/84/71/00/354847100.db2.gz OFBHWXOGFZIVKI-MNOVXSKESA-N 0 1 205.305 2.179 20 0 BEADMN CC(C)c1nnc(CN[C@@H](C)[C@@H]2CC2(F)F)[nH]1 ZINC000639220845 354885076 /nfs/dbraw/zinc/88/50/76/354885076.db2.gz ZARPWLFPNWFNNM-YUMQZZPRSA-N 0 1 244.289 2.061 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC[C@H]1C1CC1 ZINC000639221558 354893286 /nfs/dbraw/zinc/89/32/86/354893286.db2.gz CNXNEHLHZWYBPW-STQMWFEESA-N 0 1 231.343 2.356 20 0 BEADMN Cc1cnc(CNC[C@H]2CC[C@H](C)O2)s1 ZINC000235622604 363448570 /nfs/dbraw/zinc/44/85/70/363448570.db2.gz WFVYTSGNBLIJON-WCBMZHEXSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H]1CCN(Cc2ncc[nH]2)CC12CCC2 ZINC000335946472 134020733 /nfs/dbraw/zinc/02/07/33/134020733.db2.gz RRDSKYVFBBIGHP-NSHDSACASA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cccc3n[nH]cc32)C1 ZINC000335167846 354928448 /nfs/dbraw/zinc/92/84/48/354928448.db2.gz JHGBFKBETCWSNC-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CC(C)(C)CN1CC(=O)c1cccn1C ZINC000335170757 354934867 /nfs/dbraw/zinc/93/48/67/354934867.db2.gz CJSCNQOARZATEY-NSHDSACASA-N 0 1 234.343 2.328 20 0 BEADMN Cc1c(Cl)c(CN[C@@H]2CC[C@H]2C)nn1C ZINC000335172785 354938097 /nfs/dbraw/zinc/93/80/97/354938097.db2.gz BFESEKPRQIAPSB-VXNVDRBHSA-N 0 1 227.739 2.270 20 0 BEADMN Cc1c(Cl)c(CN[C@H]2CC[C@@H]2C)nn1C ZINC000335172783 354938494 /nfs/dbraw/zinc/93/84/94/354938494.db2.gz BFESEKPRQIAPSB-CBAPKCEASA-N 0 1 227.739 2.270 20 0 BEADMN CN1CCC[C@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000346522448 354975038 /nfs/dbraw/zinc/97/50/38/354975038.db2.gz HGLUQNAKUHCHKD-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000346526463 354976769 /nfs/dbraw/zinc/97/67/69/354976769.db2.gz MKRGNJYDWQIWPC-QWHCGFSZSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2F)c1C ZINC000335201845 355036251 /nfs/dbraw/zinc/03/62/51/355036251.db2.gz KYAAIRGGTAMCOI-NXEZZACHSA-N 0 1 239.294 2.037 20 0 BEADMN Cc1ncc(CN2CCSCC[C@H]2C)cn1 ZINC000335966705 134028639 /nfs/dbraw/zinc/02/86/39/134028639.db2.gz ZZERKXCABAAARA-SNVBAGLBSA-N 0 1 237.372 2.112 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1n[nH]c(C2CC2)n1 ZINC000335188728 355019332 /nfs/dbraw/zinc/01/93/32/355019332.db2.gz IPVHHKJWHPZWED-VIFPVBQESA-N 0 1 234.347 2.303 20 0 BEADMN CC[C@]1(O)CCN(Cc2nc(C)c(C)s2)C1 ZINC000335192009 355025368 /nfs/dbraw/zinc/02/53/68/355025368.db2.gz BEJXNBGDFPCSBE-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN c1cnc(CN2CCC[C@@]3(CCSC3)C2)cn1 ZINC000335229043 355071760 /nfs/dbraw/zinc/07/17/60/355071760.db2.gz XNPKMXWGPSEMMY-CYBMUJFWSA-N 0 1 249.383 2.196 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CCSCC[C@@H]1C ZINC000335181649 355078929 /nfs/dbraw/zinc/07/89/29/355078929.db2.gz DBFGVDPDHPOIJX-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN Cc1c[nH]nc1CN1CCSCC[C@@H]1C ZINC000335181649 355078937 /nfs/dbraw/zinc/07/89/37/355078937.db2.gz DBFGVDPDHPOIJX-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000335225985 355067277 /nfs/dbraw/zinc/06/72/77/355067277.db2.gz KXXNBPAJHOTGDD-NSHDSACASA-N 0 1 219.332 2.185 20 0 BEADMN CN(CCOC1CCC1)Cc1ccoc1 ZINC000346813623 355121889 /nfs/dbraw/zinc/12/18/89/355121889.db2.gz ALXCYLPYCJVMGQ-UHFFFAOYSA-N 0 1 209.289 2.281 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335237188 355098235 /nfs/dbraw/zinc/09/82/35/355098235.db2.gz FFMLQRPFYRLFLG-VXGBXAGGSA-N 0 1 215.312 2.237 20 0 BEADMN NC1(c2noc(Cc3ccoc3)n2)CCCCC1 ZINC000335250007 355169649 /nfs/dbraw/zinc/16/96/49/355169649.db2.gz PUOXUCCOUWKLDR-UHFFFAOYSA-N 0 1 247.298 2.372 20 0 BEADMN CN(CCOC1CCC1)CCC(F)(F)F ZINC000346893830 355146581 /nfs/dbraw/zinc/14/65/81/355146581.db2.gz CWQYARBIIOZYOX-UHFFFAOYSA-N 0 1 225.254 2.440 20 0 BEADMN CCO[C@H]1CCN(Cc2ccns2)C[C@H]1C ZINC000639230263 355151052 /nfs/dbraw/zinc/15/10/52/355151052.db2.gz KRDBBAWATXNUQL-PWSUYJOCSA-N 0 1 240.372 2.390 20 0 BEADMN Cc1cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)n(C)n1 ZINC000335240557 355156420 /nfs/dbraw/zinc/15/64/20/355156420.db2.gz RRZKHVRETZRJGP-LBPRGKRZSA-N 0 1 233.359 2.493 20 0 BEADMN CCC[C@@H](NC[C@H](O)C(F)F)c1ccccn1 ZINC000346986982 355186569 /nfs/dbraw/zinc/18/65/69/355186569.db2.gz QMYFFXODSNOYBE-KOLCDFICSA-N 0 1 244.285 2.138 20 0 BEADMN CCc1nnc(SC2CC(OC(C)C)C2)[nH]1 ZINC000412992004 191331412 /nfs/dbraw/zinc/33/14/12/191331412.db2.gz SEFCBEYLFBZLQQ-UHFFFAOYSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1n[nH]c(SC2CC(OC(C)C)C2)n1 ZINC000412992004 191331415 /nfs/dbraw/zinc/33/14/15/191331415.db2.gz SEFCBEYLFBZLQQ-UHFFFAOYSA-N 0 1 241.360 2.415 20 0 BEADMN Cc1nnsc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000639232375 355215739 /nfs/dbraw/zinc/21/57/39/355215739.db2.gz HEBIHKKTKFCYBC-WCQYABFASA-N 0 1 249.383 2.467 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213756 355221480 /nfs/dbraw/zinc/22/14/80/355221480.db2.gz CLGVOLMIYDPPAF-SVDPJWKOSA-N 0 1 247.342 2.085 20 0 BEADMN O[C@@H](CNCc1nc2ccccc2o1)C1CCC1 ZINC000639240551 355224627 /nfs/dbraw/zinc/22/46/27/355224627.db2.gz UDNLPWQEJQOMGZ-LBPRGKRZSA-N 0 1 246.310 2.078 20 0 BEADMN CC[C@H](C(=O)Nc1ccccc1N(C)C)N(C)C ZINC000413134205 191358563 /nfs/dbraw/zinc/35/85/63/191358563.db2.gz IIJFSLKOENLCHE-GFCCVEGCSA-N 0 1 249.358 2.031 20 0 BEADMN CC[C@H](C(=O)N(CC)c1ccccc1)N(C)C ZINC000413137475 191358717 /nfs/dbraw/zinc/35/87/17/191358717.db2.gz GHWNLDMNZCMKNE-CYBMUJFWSA-N 0 1 234.343 2.380 20 0 BEADMN COC(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000113517901 355236812 /nfs/dbraw/zinc/23/68/12/355236812.db2.gz GAVVQOTWOUCJPX-AWEZNQCLSA-N 0 1 247.338 2.175 20 0 BEADMN CC[C@@H](CN(C)Cc1cnc(C)s1)OC ZINC000412975010 191346125 /nfs/dbraw/zinc/34/61/25/191346125.db2.gz DHEQZELYQMTVKN-JTQLQIEISA-N 0 1 228.361 2.308 20 0 BEADMN C[C@@H]1C[C@@H](CN=c2[nH]c3ccccc3[nH]2)[C@@H](C)O1 ZINC000413532703 191392682 /nfs/dbraw/zinc/39/26/82/191392682.db2.gz NDQSIZDVFRERSU-MXWKQRLJSA-N 0 1 245.326 2.210 20 0 BEADMN COC(=O)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347593123 355250143 /nfs/dbraw/zinc/25/01/43/355250143.db2.gz GIKZNSRXYJOXTF-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000335287636 355256893 /nfs/dbraw/zinc/25/68/93/355256893.db2.gz AFHXLWGGSQZJPR-GXSJLCMTSA-N 0 1 243.310 2.020 20 0 BEADMN C[C@@H](CCN1CC(C)(O)C1)c1ccccc1 ZINC000639253841 355292972 /nfs/dbraw/zinc/29/29/72/355292972.db2.gz RYOSAFSLOPMZEP-LBPRGKRZSA-N 0 1 219.328 2.247 20 0 BEADMN Cc1scc(CN2CC(C)(CO)C2)c1C ZINC000639254944 355294921 /nfs/dbraw/zinc/29/49/21/355294921.db2.gz IAJBVKXBTOWZRS-UHFFFAOYSA-N 0 1 225.357 2.179 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@H](C)c2ccn(C)n2)C12CCC2 ZINC000414200659 191460185 /nfs/dbraw/zinc/46/01/85/191460185.db2.gz XOAHVULGBZVCRF-RAIGVLPGSA-N 0 1 249.358 2.028 20 0 BEADMN CCn1ccc(CN[C@@H](C)[C@@H]2CC2(F)F)n1 ZINC000639261389 355313434 /nfs/dbraw/zinc/31/34/34/355313434.db2.gz KFRODKZVEFVOCF-WPRPVWTQSA-N 0 1 229.274 2.036 20 0 BEADMN C[C@H]1CN(CCOCC(F)F)CCC1(F)F ZINC000352016885 134036775 /nfs/dbraw/zinc/03/67/75/134036775.db2.gz APGOVRVPIWOOGY-QMMMGPOBSA-N 0 1 243.244 2.245 20 0 BEADMN FC(F)OC1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639265739 355326076 /nfs/dbraw/zinc/32/60/76/355326076.db2.gz JXBZUNXEQZQQNH-KXUCPTDWSA-N 0 1 231.286 2.346 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cc2n(n1)CCC2 ZINC000414202903 191460628 /nfs/dbraw/zinc/46/06/28/191460628.db2.gz GHZUOSNUFDTZGV-QKCSRTOESA-N 0 1 249.358 2.047 20 0 BEADMN CCC1CN(Cc2cnc(CCOC)s2)C1 ZINC000639249546 355278835 /nfs/dbraw/zinc/27/88/35/355278835.db2.gz WHBSKSMJDRGYPA-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN CCC1CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639248520 355279283 /nfs/dbraw/zinc/27/92/83/355279283.db2.gz IECSLRNQXJHRCA-JTQLQIEISA-N 0 1 219.332 2.496 20 0 BEADMN CO[C@H](C)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000349236476 355372780 /nfs/dbraw/zinc/37/27/80/355372780.db2.gz HKROXUXDZXIUSF-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cn1 ZINC000335781380 355429141 /nfs/dbraw/zinc/42/91/41/355429141.db2.gz TVWIUUMEAPVQQX-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)cn1 ZINC000335781381 355429209 /nfs/dbraw/zinc/42/92/09/355429209.db2.gz TVWIUUMEAPVQQX-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccn(C)n1 ZINC000349771835 355453124 /nfs/dbraw/zinc/45/31/24/355453124.db2.gz AVJAQWDSCYYXBK-IACUBPJLSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H](CCn1cccn1)N[C@@H](C)c1ccon1 ZINC000349832418 355488888 /nfs/dbraw/zinc/48/88/88/355488888.db2.gz JIRIBFLXQIBMHI-QWRGUYRKSA-N 0 1 234.303 2.001 20 0 BEADMN C[C@H](CCn1cccn1)N[C@@H](C)c1ccon1 ZINC000349832417 355489106 /nfs/dbraw/zinc/48/91/06/355489106.db2.gz JIRIBFLXQIBMHI-MNOVXSKESA-N 0 1 234.303 2.001 20 0 BEADMN O=C(NC1CC(F)(F)C1)c1ccc(F)cc1O ZINC000335825089 355548949 /nfs/dbraw/zinc/54/89/49/355548949.db2.gz IFGUIUJDBRZKMP-UHFFFAOYSA-N 0 1 245.200 2.059 20 0 BEADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C1=CCCC1 ZINC000335831862 355558501 /nfs/dbraw/zinc/55/85/01/355558501.db2.gz VUCKTEWKTLRCKA-JSGCOSHPSA-N 0 1 248.370 2.182 20 0 BEADMN CCN(CCOC)Cc1sccc1OC ZINC000349860053 355507236 /nfs/dbraw/zinc/50/72/36/355507236.db2.gz COBJSGXCOKUCSY-UHFFFAOYSA-N 0 1 229.345 2.225 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnc2ccccn12 ZINC000335841644 355585490 /nfs/dbraw/zinc/58/54/90/355585490.db2.gz QYHHNJVWECPKSK-GHMZBOCLSA-N 0 1 215.300 2.317 20 0 BEADMN COC[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000350092046 355585993 /nfs/dbraw/zinc/58/59/93/355585993.db2.gz OOIZQALOGYJQOZ-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN NC(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000336463776 181202048 /nfs/dbraw/zinc/20/20/48/181202048.db2.gz VYKSZOZGHATZEK-GFCCVEGCSA-N 0 1 218.300 2.401 20 0 BEADMN CCCN(CCO)Cc1cccc(O)c1Cl ZINC000350239667 355655053 /nfs/dbraw/zinc/65/50/53/355655053.db2.gz ITCBQNQKDQGIFD-UHFFFAOYSA-N 0 1 243.734 2.250 20 0 BEADMN COCCC1CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639306778 355661653 /nfs/dbraw/zinc/66/16/53/355661653.db2.gz VBRHACMJDUUMHY-NSHDSACASA-N 0 1 249.358 2.123 20 0 BEADMN Cc1nc(CN2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000335864432 355628438 /nfs/dbraw/zinc/62/84/38/355628438.db2.gz OCSIBSMSKMRZBX-SECBINFHSA-N 0 1 228.299 2.237 20 0 BEADMN NC(=O)[C@@H]1CSCCN1CC1CCCC1 ZINC000336363886 181204213 /nfs/dbraw/zinc/20/42/13/181204213.db2.gz GLZSUBGAQOAURB-JTQLQIEISA-N 0 1 228.361 2.129 20 0 BEADMN Cc1ccc(CN(C)Cc2cnc[nH]2)c(F)c1 ZINC000639301386 355638731 /nfs/dbraw/zinc/63/87/31/355638731.db2.gz PAWYAQYSHKMUKU-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC(C)(C)C2)o1 ZINC000336006801 134049505 /nfs/dbraw/zinc/04/95/05/134049505.db2.gz MVZYTXVJZPEHNF-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN Cc1ccc(CN2CCCNC(=O)[C@@H]2C)cc1C ZINC000335882545 355672841 /nfs/dbraw/zinc/67/28/41/355672841.db2.gz SGSPROSSTGYPIC-ZDUSSCGKSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000335890282 355682522 /nfs/dbraw/zinc/68/25/22/355682522.db2.gz WFWSLLNYPDNXBG-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN FC1(F)C[C@]12CCN(Cc1ccns1)C2 ZINC000639313279 355685544 /nfs/dbraw/zinc/68/55/44/355685544.db2.gz PDDBVHZZSHQDHU-VIFPVBQESA-N 0 1 230.283 2.374 20 0 BEADMN CCCCN(CC)C(=O)CN1C[C@@H]2CCC[C@H]21 ZINC000350725219 355750718 /nfs/dbraw/zinc/75/07/18/355750718.db2.gz UMALYXYZXLCTBM-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ncc([C@@H](C)[N@@H+](C)C2(CO)CCC2)c(C)n1 ZINC000639333217 355762240 /nfs/dbraw/zinc/76/22/40/355762240.db2.gz VANWHLFDJKFQCL-LLVKDONJSA-N 0 1 249.358 2.001 20 0 BEADMN COc1cc(CNC2CC(C(C)C)C2)on1 ZINC000639325064 355726814 /nfs/dbraw/zinc/72/68/14/355726814.db2.gz RUHAIIYZOWHFQF-UHFFFAOYSA-N 0 1 224.304 2.207 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cnccn1)CC(C)C ZINC000417358788 191791257 /nfs/dbraw/zinc/79/12/57/191791257.db2.gz IDOXOAPPUHKPIV-RYUDHWBXSA-N 0 1 237.347 2.188 20 0 BEADMN COCCC1CCN(Cc2ccns2)CC1 ZINC000639345351 355791722 /nfs/dbraw/zinc/79/17/22/355791722.db2.gz HYVIYANQWLRNGQ-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN CCC(F)(F)CN[C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639350757 355798742 /nfs/dbraw/zinc/79/87/42/355798742.db2.gz OTKRIHNLAIPXCS-NXEZZACHSA-N 0 1 248.317 2.069 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])CC1 ZINC000071203092 191838224 /nfs/dbraw/zinc/83/82/24/191838224.db2.gz YROAJHNTKKZQID-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)CCC2CC2)c1 ZINC000608494807 355820970 /nfs/dbraw/zinc/82/09/70/355820970.db2.gz YIJYRWHLZBRMCJ-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN CO[C@H](c1ccccc1)[C@H](C)NCc1ncc[nH]1 ZINC000639366003 355841156 /nfs/dbraw/zinc/84/11/56/355841156.db2.gz IDKCKVWGLQNGJV-FZMZJTMJSA-N 0 1 245.326 2.276 20 0 BEADMN COc1cc(CN2CCC23CCC3)ccn1 ZINC000336039856 134060892 /nfs/dbraw/zinc/06/08/92/134060892.db2.gz YADCXJUCRZSGLZ-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NCc2ncc[nH]2)CS1 ZINC000639369593 355856155 /nfs/dbraw/zinc/85/61/55/355856155.db2.gz ADUHIBMGMRDRPO-NXEZZACHSA-N 0 1 239.388 2.420 20 0 BEADMN CO[C@@H](CN1CCCC[C@H]1c1cc[nH]n1)C1CC1 ZINC000425463811 191865365 /nfs/dbraw/zinc/86/53/65/191865365.db2.gz YNWFPAZHILBJDL-KBPBESRZSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1ccnc(CN2CCC[C@H](C)CC2)n1 ZINC000336032443 134058680 /nfs/dbraw/zinc/05/86/80/134058680.db2.gz ZPTSECCUWCOEQV-NSHDSACASA-N 0 1 219.332 2.407 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC000608501015 355829674 /nfs/dbraw/zinc/82/96/74/355829674.db2.gz GSMLYFGEFVSLON-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(NCc2ccc(C3CC3)cc2)COC1 ZINC000639380661 355919094 /nfs/dbraw/zinc/91/90/94/355919094.db2.gz IIKJMQSMUUUUTD-UHFFFAOYSA-N 0 1 217.312 2.443 20 0 BEADMN CC1(NC/C=C\c2ccccc2)COC1 ZINC000639381417 355921834 /nfs/dbraw/zinc/92/18/34/355921834.db2.gz CQJINULOKSCUSJ-YVMONPNESA-N 0 1 203.285 2.078 20 0 BEADMN Cc1cc(CNC2(C)COC2)ccc1F ZINC000639382781 355932310 /nfs/dbraw/zinc/93/23/10/355932310.db2.gz XBOSLSLMSLZICK-UHFFFAOYSA-N 0 1 209.264 2.013 20 0 BEADMN Cc1c[nH]nc1CN1CCC(CCF)CC1 ZINC000639376347 355900265 /nfs/dbraw/zinc/90/02/65/355900265.db2.gz DVTRQKDHNAYCCY-UHFFFAOYSA-N 0 1 225.311 2.290 20 0 BEADMN C=Cn1cc(CN2CCC(C)(F)CC2)cn1 ZINC000639388572 356007930 /nfs/dbraw/zinc/00/79/30/356007930.db2.gz HPRPAFHUTMKPLK-UHFFFAOYSA-N 0 1 223.295 2.308 20 0 BEADMN CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000036090509 355998668 /nfs/dbraw/zinc/99/86/68/355998668.db2.gz NUQLUOMYXLNYLF-GFCCVEGCSA-N 0 1 240.734 2.079 20 0 BEADMN CCc1noc(CN2C[C@@H](C)C[C@@H]2CC)n1 ZINC000608752488 355966190 /nfs/dbraw/zinc/96/61/90/355966190.db2.gz SNDLWZMFEGKDPF-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN COCCN(Cc1ccon1)[C@H]1CC[C@H](C)C1 ZINC000351645759 356043618 /nfs/dbraw/zinc/04/36/18/356043618.db2.gz DZOQJURQNQAZAB-AAEUAGOBSA-N 0 1 238.331 2.312 20 0 BEADMN COc1ccc(CN2CCC(C)(F)CC2)cn1 ZINC000639389470 356016121 /nfs/dbraw/zinc/01/61/21/356016121.db2.gz XSPVNLNLUPKVCU-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC1(C)CN(Cc2cccn(C(F)F)c2=O)C1 ZINC000639392976 356062697 /nfs/dbraw/zinc/06/26/97/356062697.db2.gz DGNCVIPJTMZMQO-UHFFFAOYSA-N 0 1 242.269 2.085 20 0 BEADMN COCc1cc(CN[C@@]23C[C@@H]2CCCC3)no1 ZINC000639395934 356107272 /nfs/dbraw/zinc/10/72/72/356107272.db2.gz RFCXIFIWAQDKRM-GWCFXTLKSA-N 0 1 236.315 2.243 20 0 BEADMN Cc1ncc([C@@H](C)N2CC(C)(C)C2)c(C)n1 ZINC000639393942 356077248 /nfs/dbraw/zinc/07/72/48/356077248.db2.gz YOHQTPKUPSISLE-SNVBAGLBSA-N 0 1 219.332 2.496 20 0 BEADMN CC[C@@H](C)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623261938 356160892 /nfs/dbraw/zinc/16/08/92/356160892.db2.gz HYKFEYKKWQGWRG-LLVKDONJSA-N 0 1 232.327 2.264 20 0 BEADMN OC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336096160 134080028 /nfs/dbraw/zinc/08/00/28/134080028.db2.gz MUVYYHRTRYDIIB-UHFFFAOYSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@H]1CN(CC2CCCC2)C[C@H](C)S1=O ZINC000336088535 134077505 /nfs/dbraw/zinc/07/75/05/134077505.db2.gz JSMYKVPEVIXEJM-QWRGUYRKSA-N 0 1 229.389 2.018 20 0 BEADMN CCN(CC(C)=O)Cc1ccccc1C ZINC000639439447 356216232 /nfs/dbraw/zinc/21/62/32/356216232.db2.gz FBRPFXUIOWKWAU-UHFFFAOYSA-N 0 1 205.301 2.406 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000617634107 356217244 /nfs/dbraw/zinc/21/72/44/356217244.db2.gz PDOVZLBADPAKRO-SNVBAGLBSA-N 0 1 249.358 2.455 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nc(CC2CC2)no1 ZINC000639440941 356218720 /nfs/dbraw/zinc/21/87/20/356218720.db2.gz RVJQCNWNADEHIX-SNVBAGLBSA-N 0 1 237.347 2.498 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639442773 356219475 /nfs/dbraw/zinc/21/94/75/356219475.db2.gz QXLMPHMETOYVED-SSDOTTSWSA-N 0 1 243.257 2.219 20 0 BEADMN CCCCN(CC(=O)Nc1ccccn1)C1CC1 ZINC000639451255 356230069 /nfs/dbraw/zinc/23/00/69/356230069.db2.gz MWJCLRLFCPMBGB-UHFFFAOYSA-N 0 1 247.342 2.285 20 0 BEADMN COc1cccc(C2CCN(CC(C)=O)CC2)c1 ZINC000639467443 356253257 /nfs/dbraw/zinc/25/32/57/356253257.db2.gz YTCJBBUTFDLQAK-UHFFFAOYSA-N 0 1 247.338 2.464 20 0 BEADMN COc1ccc([C@H]2CCN(CC(C)=O)C2)cc1 ZINC000639473092 356264435 /nfs/dbraw/zinc/26/44/35/356264435.db2.gz PDKZFKANDWVBMI-ZDUSSCGKSA-N 0 1 233.311 2.074 20 0 BEADMN CC[C@H](C)CCNC(=O)CN1CCC(C)CC1 ZINC000617638118 356240770 /nfs/dbraw/zinc/24/07/70/356240770.db2.gz HDYTVZZHBSRNTL-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H](C)O1 ZINC000639487397 356303766 /nfs/dbraw/zinc/30/37/66/356303766.db2.gz ZQQDQRAJEPIQGS-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)C[C@@H](C)O1 ZINC000639487397 356303768 /nfs/dbraw/zinc/30/37/68/356303768.db2.gz ZQQDQRAJEPIQGS-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN c1nc(CN2CC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000336137129 134096047 /nfs/dbraw/zinc/09/60/47/134096047.db2.gz IDHZWHXJTKZDBO-MNOVXSKESA-N 0 1 238.356 2.002 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)CC(=O)NCC1CC1 ZINC000352410599 356342027 /nfs/dbraw/zinc/34/20/27/356342027.db2.gz RRODNOCUOBAVQI-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CCN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639511530 356346155 /nfs/dbraw/zinc/34/61/55/356346155.db2.gz FDOCTHXDZVZKRB-UHFFFAOYSA-N 0 1 245.273 2.465 20 0 BEADMN C[C@H]1CCN(CC2(C)CCC2)CC[S@@]1=O ZINC000336137899 134096956 /nfs/dbraw/zinc/09/69/56/134096956.db2.gz UBQWYDUDMWTOBC-NHYWBVRUSA-N 0 1 229.389 2.020 20 0 BEADMN C(c1noc(CN2C[C@H]3CCC[C@@H]3C2)n1)C1CC1 ZINC000639516042 356352816 /nfs/dbraw/zinc/35/28/16/356352816.db2.gz OOFVGLKWXJIFBR-VXGBXAGGSA-N 0 1 247.342 2.254 20 0 BEADMN CC[C@]1(C)CCCN([C@H](C)c2nncn2C)C1 ZINC000336147765 134103210 /nfs/dbraw/zinc/10/32/10/134103210.db2.gz XDBQJVCQERPJFK-DGCLKSJQSA-N 0 1 236.363 2.388 20 0 BEADMN CCN(Cc1ccc(F)cc1F)C[C@@H](C)O ZINC000352203735 134103349 /nfs/dbraw/zinc/10/33/49/134103349.db2.gz UXDVXZDYAIWPGF-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CC(C)n1ncnc1CN1CCCC1(C)C ZINC000336150037 134103792 /nfs/dbraw/zinc/10/37/92/134103792.db2.gz XDTFFADIXHFXID-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1c(O)cccc1F ZINC000336157900 134106739 /nfs/dbraw/zinc/10/67/39/134106739.db2.gz IEGYWYVFRSLMAA-YUMQZZPRSA-N 0 1 223.247 2.154 20 0 BEADMN CCN1C[C@@H](C)N(CC(F)(F)CC)C[C@@H]1C ZINC000639556581 356459383 /nfs/dbraw/zinc/45/93/83/356459383.db2.gz OWDFVKCIQFGNAS-WDEREUQCSA-N 0 1 234.334 2.446 20 0 BEADMN O=c1cc(CN2CC3(C2)CC(F)(F)C3)cc[nH]1 ZINC000639556730 356461221 /nfs/dbraw/zinc/46/12/21/356461221.db2.gz YJIUAPADVBQFAW-UHFFFAOYSA-N 0 1 240.253 2.018 20 0 BEADMN CCC(F)(F)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000639557817 356462426 /nfs/dbraw/zinc/46/24/26/356462426.db2.gz QMCHKSPVFPQYGI-NXEZZACHSA-N 0 1 220.307 2.056 20 0 BEADMN C[C@H](F)CCN1CCN(c2nccs2)CC1 ZINC000580354950 356432838 /nfs/dbraw/zinc/43/28/38/356432838.db2.gz AGCJRLPUOHZHST-JTQLQIEISA-N 0 1 243.351 2.013 20 0 BEADMN CC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000639567911 356490249 /nfs/dbraw/zinc/49/02/49/356490249.db2.gz FNHJODZAZFLCQK-ZDUSSCGKSA-N 0 1 203.285 2.316 20 0 BEADMN CCOCCN(C)Cc1c(C)cc(C)nc1C ZINC000639559257 356465850 /nfs/dbraw/zinc/46/58/50/356465850.db2.gz NFSZKIXONPMCAT-UHFFFAOYSA-N 0 1 236.359 2.475 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2c(Cl)cnn2C)C1 ZINC000336164507 134112644 /nfs/dbraw/zinc/11/26/44/134112644.db2.gz LTGLBBCWVMMNJI-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN CCCN1C[C@@H](CNc2cc(C)ccn2)CC1=O ZINC000420653265 192255129 /nfs/dbraw/zinc/25/51/29/192255129.db2.gz OAPRIVJBWMMMSF-GFCCVEGCSA-N 0 1 247.342 2.060 20 0 BEADMN OCC[C@H](NCc1ccns1)c1ccccc1 ZINC000639560344 356473551 /nfs/dbraw/zinc/47/35/51/356473551.db2.gz ABJIAOYZIJERML-ZDUSSCGKSA-N 0 1 248.351 2.356 20 0 BEADMN c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)on1 ZINC000336174349 134116558 /nfs/dbraw/zinc/11/65/58/134116558.db2.gz JTIHMSOFNDRFBC-PWSUYJOCSA-N 0 1 206.289 2.439 20 0 BEADMN CC(C)c1cc(NC[C@H]2C[C@H]2C)nc(N(C)C)n1 ZINC000578105242 366251351 /nfs/dbraw/zinc/25/13/51/366251351.db2.gz QXOVXNQKNXOLCP-GHMZBOCLSA-N 0 1 248.374 2.156 20 0 BEADMN Cc1cnc([C@@H](C)NCc2cc[nH]c(=O)c2)s1 ZINC000639585261 356508815 /nfs/dbraw/zinc/50/88/15/356508815.db2.gz ZXBOYTCNPFTIRQ-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN CC[C@H]1CN(CCOC(C)C)C[C@H](CC)O1 ZINC000420946048 192276517 /nfs/dbraw/zinc/27/65/17/192276517.db2.gz LMPZJCUPJUPOQI-STQMWFEESA-N 0 1 229.364 2.301 20 0 BEADMN CC1(C)CO[C@H](CN2CCC[C@H]2c2cc[nH]n2)C1 ZINC000639615993 356533766 /nfs/dbraw/zinc/53/37/66/356533766.db2.gz AFRJAEWBBHWPPR-AAEUAGOBSA-N 0 1 249.358 2.362 20 0 BEADMN CCOC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420959159 192281806 /nfs/dbraw/zinc/28/18/06/192281806.db2.gz DISCDGHCKWHFGH-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)C[C@H](CC)O1 ZINC000420949674 192275625 /nfs/dbraw/zinc/27/56/25/192275625.db2.gz FQTRLXIJAWBBMJ-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC(=O)CN(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000639647217 356553590 /nfs/dbraw/zinc/55/35/90/356553590.db2.gz HZEGYMIJUKMNEY-OLZOCXBDSA-N 0 1 249.354 2.062 20 0 BEADMN CCC(F)(F)CN[C@H]1CCC[C@H]1CCO ZINC000639633493 356548014 /nfs/dbraw/zinc/54/80/14/356548014.db2.gz LMNMQFBUHQQGNA-UWVGGRQHSA-N 0 1 221.291 2.172 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCC[C@@H]1CCO ZINC000639633492 356548084 /nfs/dbraw/zinc/54/80/84/356548084.db2.gz LMNMQFBUHQQGNA-NXEZZACHSA-N 0 1 221.291 2.172 20 0 BEADMN CC[C@@H](NCc1sccc1Cl)C(=O)NC ZINC000449782501 202034448 /nfs/dbraw/zinc/03/44/48/202034448.db2.gz YPTFCMKDRVDPAG-MRVPVSSYSA-N 0 1 246.763 2.016 20 0 BEADMN COc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421011386 192300786 /nfs/dbraw/zinc/30/07/86/192300786.db2.gz DMADXLSXQRKVHI-AWEZNQCLSA-N 0 1 233.311 2.060 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(C)n1 ZINC000421013669 192301123 /nfs/dbraw/zinc/30/11/23/192301123.db2.gz GIFLTAMIJJJUGV-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN Cc1ccc(CN2CC[C@@]23CCOC3)c(C)n1 ZINC000421013669 192301126 /nfs/dbraw/zinc/30/11/26/192301126.db2.gz GIFLTAMIJJJUGV-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@]23CCOC3)s1 ZINC000421012038 192301453 /nfs/dbraw/zinc/30/14/53/192301453.db2.gz DXQTUUIQNRABJG-LBPRGKRZSA-N 0 1 238.356 2.125 20 0 BEADMN CC[N@H+]1C[C@@H](C)N(CC2CC(F)(F)C2)C[C@@H]1C ZINC000336197569 134126676 /nfs/dbraw/zinc/12/66/76/134126676.db2.gz WICGLJGLQQYSAP-WDEREUQCSA-N 0 1 246.345 2.446 20 0 BEADMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1N(C)C ZINC000421013308 192302225 /nfs/dbraw/zinc/30/22/25/192302225.db2.gz JXIKONVWZJYDNB-TZMCWYRMSA-N 0 1 248.370 2.098 20 0 BEADMN Cc1cnc(CN2CC[C@H](CCCO)C2)s1 ZINC000449790162 202039257 /nfs/dbraw/zinc/03/92/57/202039257.db2.gz JWZYAZFJKZLCHS-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421019302 192304128 /nfs/dbraw/zinc/30/41/28/192304128.db2.gz POXUPENQOITLKJ-CQSZACIVSA-N 0 1 248.370 2.375 20 0 BEADMN C(CN1CC[C@@]12CCOC2)OCC1CCCC1 ZINC000421020817 192305668 /nfs/dbraw/zinc/30/56/68/192305668.db2.gz NUGQAJDEJIISCH-AWEZNQCLSA-N 0 1 239.359 2.058 20 0 BEADMN Cc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000350587353 366303374 /nfs/dbraw/zinc/30/33/74/366303374.db2.gz AYNXEPWPIIDLKB-HLTSFMKQSA-N 0 1 209.293 2.312 20 0 BEADMN O[C@@]1(C(F)F)CCN(Cc2ccc(F)cc2)C1 ZINC000336207406 134132526 /nfs/dbraw/zinc/13/25/26/134132526.db2.gz QFJVXRXLJBKVHX-LBPRGKRZSA-N 0 1 245.244 2.028 20 0 BEADMN CC1(C)CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639677424 356593435 /nfs/dbraw/zinc/59/34/35/356593435.db2.gz ORXBNSNSQNPEFM-UHFFFAOYSA-N 0 1 243.257 2.362 20 0 BEADMN Cn1cc(CNCc2cc3ccccc3o2)cn1 ZINC000041158986 358506584 /nfs/dbraw/zinc/50/65/84/358506584.db2.gz JXBANPZALRQWIM-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC[C@@H]2CC)[nH]1 ZINC000450134286 202083870 /nfs/dbraw/zinc/08/38/70/202083870.db2.gz IQCXUOVUHKHFAE-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC[C@@H]2CC)n1 ZINC000450134286 202083871 /nfs/dbraw/zinc/08/38/71/202083871.db2.gz IQCXUOVUHKHFAE-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCC[C@@H](C)CN1CCN(C(=O)C(C)C)CC1 ZINC000342674281 535325367 /nfs/dbraw/zinc/32/53/67/535325367.db2.gz KZSKXFYZQIADKY-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)NCCN1CCC1 ZINC000450201019 202094839 /nfs/dbraw/zinc/09/48/39/202094839.db2.gz KTYVHTIZDASJKN-CYBMUJFWSA-N 0 1 240.391 2.271 20 0 BEADMN CC[N@@H+](C[C@H]1CC(C)(C)CO1)[C@H]1CCCOC1 ZINC000639729419 356623569 /nfs/dbraw/zinc/62/35/69/356623569.db2.gz JIRKLVWENCUHBU-QWHCGFSZSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450240393 202103708 /nfs/dbraw/zinc/10/37/08/202103708.db2.gz GIJXACXTMJJRRF-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN COCc1nc(CN[C@@H]2CC[C@@H]2C)cs1 ZINC000380328942 538466181 /nfs/dbraw/zinc/46/61/81/538466181.db2.gz NHOREFADILELMU-WCBMZHEXSA-N 0 1 226.345 2.178 20 0 BEADMN Cc1nc([C@@H](C)N(C)c2ccsc2)n[nH]1 ZINC000639736379 356629662 /nfs/dbraw/zinc/62/96/62/356629662.db2.gz PWBWJUQGCQPPDF-SSDOTTSWSA-N 0 1 222.317 2.372 20 0 BEADMN CC(=O)c1cccc(CN2CCC(CO)CC2)c1 ZINC000450258494 202111557 /nfs/dbraw/zinc/11/15/57/202111557.db2.gz AJGGWNFHZXGFAI-UHFFFAOYSA-N 0 1 247.338 2.094 20 0 BEADMN CC1CCC(CN2CC[S@](=O)[C@@H](C)C2)CC1 ZINC000336413344 134146598 /nfs/dbraw/zinc/14/65/98/134146598.db2.gz QIMCZMRVGPECRW-UWTNAYQSSA-N 0 1 243.416 2.266 20 0 BEADMN CC[C@@H]1CCCN1Cc1cn(CC2CC2)nn1 ZINC000450347818 202137312 /nfs/dbraw/zinc/13/73/12/202137312.db2.gz QFQXQOHUTUNSOX-CYBMUJFWSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@@H](N[C@@H](C)[C@@H]1CCOC1)C(C)(F)F ZINC000389496198 356692514 /nfs/dbraw/zinc/69/25/14/356692514.db2.gz YQVGUCQCHAZPTP-DJLDLDEBSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@H](C)CN(C)Cc1cn(CC2CC2)nn1 ZINC000450385122 202149266 /nfs/dbraw/zinc/14/92/66/202149266.db2.gz CALAXWJGVWKGBK-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)O[C@H](CC)C1 ZINC000450384884 202149647 /nfs/dbraw/zinc/14/96/47/202149647.db2.gz BYVABGUWRPXHQI-DGCLKSJQSA-N 0 1 227.348 2.245 20 0 BEADMN C[C@@H](O)CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000450391301 202150958 /nfs/dbraw/zinc/15/09/58/202150958.db2.gz NGEAGRJMWVQQRR-VXGBXAGGSA-N 0 1 237.318 2.386 20 0 BEADMN Cc1cc(Cc2nc(-c3ccc(C)o3)no2)[nH]n1 ZINC000350801837 366338421 /nfs/dbraw/zinc/33/84/21/366338421.db2.gz XGBBUZGGVUYLSK-UHFFFAOYSA-N 0 1 244.254 2.260 20 0 BEADMN CCO[C@H](C[N@H+]1CCC[C@H]1c1cn[nH]c1)C1CC1 ZINC000639776944 356719207 /nfs/dbraw/zinc/71/92/07/356719207.db2.gz RERZLVXZRPSEHX-UONOGXRCSA-N 0 1 249.358 2.362 20 0 BEADMN c1n[nH]cc1[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000639776869 356719429 /nfs/dbraw/zinc/71/94/29/356719429.db2.gz PTCWRRLZCOUVKL-AWEZNQCLSA-N 0 1 242.326 2.184 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000450457046 202169820 /nfs/dbraw/zinc/16/98/20/202169820.db2.gz ZMGHRAMPUARIRZ-SMDDNHRTSA-N 0 1 248.374 2.309 20 0 BEADMN CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1C ZINC000354155573 356731449 /nfs/dbraw/zinc/73/14/49/356731449.db2.gz ODXRVKIZNFHMDY-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000356158964 356790064 /nfs/dbraw/zinc/79/00/64/356790064.db2.gz WTRGXOVZIQTCJK-ZYHUDNBSSA-N 0 1 235.331 2.242 20 0 BEADMN CCN(Cc1cocn1)[C@H]1CCOC(C)(C)C1 ZINC000356255817 356791550 /nfs/dbraw/zinc/79/15/50/356791550.db2.gz JFUGARWCMSQOBK-LBPRGKRZSA-N 0 1 238.331 2.454 20 0 BEADMN CCC(=O)CCCN1CCOC(C)(C)[C@@H]1C ZINC000450496474 202184298 /nfs/dbraw/zinc/18/42/98/202184298.db2.gz YNOKYDZVNJTVMT-NSHDSACASA-N 0 1 227.348 2.245 20 0 BEADMN CC(C)[C@H]1CCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450481631 202178815 /nfs/dbraw/zinc/17/88/15/202178815.db2.gz FEIFELZGRLMAMM-ZDUSSCGKSA-N 0 1 248.374 2.166 20 0 BEADMN CO[C@H]1CN([C@@H](C)CCc2ccccc2)CCO1 ZINC000639833130 356819581 /nfs/dbraw/zinc/81/95/81/356819581.db2.gz MQCQRGDPEDQMQR-DZGCQCFKSA-N 0 1 249.354 2.312 20 0 BEADMN CO[C@@H]1CN([C@@H](C)CCc2ccccc2)CCO1 ZINC000639833138 356819614 /nfs/dbraw/zinc/81/96/14/356819614.db2.gz MQCQRGDPEDQMQR-ZFWWWQNUSA-N 0 1 249.354 2.312 20 0 BEADMN O=C1CN(CC2=CCCCC2)[C@H]2CCCC[C@H]2N1 ZINC000450488556 202181900 /nfs/dbraw/zinc/18/19/00/202181900.db2.gz XVONHUWILYJWHW-KGLIPLIRSA-N 0 1 248.370 2.230 20 0 BEADMN CC(C)CC[C@@H](O)CN(C)Cc1ccns1 ZINC000639809406 356783578 /nfs/dbraw/zinc/78/35/78/356783578.db2.gz SQAQJOZNBNDQKA-LLVKDONJSA-N 0 1 242.388 2.372 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356048359 356786928 /nfs/dbraw/zinc/78/69/28/356786928.db2.gz CRZDESYYMOISTD-WCQYABFASA-N 0 1 239.359 2.474 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ncc[nH]1 ZINC000309553408 491104063 /nfs/dbraw/zinc/10/40/63/491104063.db2.gz IYQVGDPWZOADCO-ZJUUUORDSA-N 0 1 223.320 2.018 20 0 BEADMN COCCCCCN1CCC[C@@H]1c1ncccn1 ZINC000639842719 356837270 /nfs/dbraw/zinc/83/72/70/356837270.db2.gz IMXPXJYLHXNLMV-CYBMUJFWSA-N 0 1 249.358 2.430 20 0 BEADMN O=C(CCc1cnc[nH]1)NC1CCC2(CC2)CC1 ZINC000281852045 538708932 /nfs/dbraw/zinc/70/89/32/538708932.db2.gz NAWHAAVUQPXINX-UHFFFAOYSA-N 0 1 247.342 2.181 20 0 BEADMN c1cnc([C@@H]2CCCN2CC2CC2)nc1 ZINC000639845230 356841679 /nfs/dbraw/zinc/84/16/79/356841679.db2.gz IXHXCNVUVFIFDQ-NSHDSACASA-N 0 1 203.289 2.024 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000155639712 538725735 /nfs/dbraw/zinc/72/57/35/538725735.db2.gz UNQOOTDIMRAHQB-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN CCN(Cc1ccc(C)cn1)[C@H]1CCOC1 ZINC000361235511 356920831 /nfs/dbraw/zinc/92/08/31/356920831.db2.gz BZNGLZJEGVUZLC-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(Cc1ccccc1F)[C@H]1CCOC1 ZINC000361237613 356920840 /nfs/dbraw/zinc/92/08/40/356920840.db2.gz LJZRIVWJOHYKFR-LBPRGKRZSA-N 0 1 223.291 2.437 20 0 BEADMN CCN(Cc1ccc(C)o1)[C@@H]1CCOC1 ZINC000361238464 356920858 /nfs/dbraw/zinc/92/08/58/356920858.db2.gz PIUCBTYVVZDUNI-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CC[N@@H+](Cc1ccccc1N(C)C)[C@H]1CCOC1 ZINC000361251568 356922619 /nfs/dbraw/zinc/92/26/19/356922619.db2.gz OFFZNAMKVQFOCS-AWEZNQCLSA-N 0 1 248.370 2.363 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ncc[nH]2)C1(C)C ZINC000353521575 538748582 /nfs/dbraw/zinc/74/85/82/538748582.db2.gz QFHAELMEUNIEHU-OPQQBVKSSA-N 0 1 237.347 2.264 20 0 BEADMN CC[C@@H]1C(=O)NCCN1CCC1CCCCC1 ZINC000361550953 356932780 /nfs/dbraw/zinc/93/27/80/356932780.db2.gz HJNLKYPUHXWEDT-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H](NCc1cccnc1)c1cccnc1 ZINC000020140812 356998792 /nfs/dbraw/zinc/99/87/92/356998792.db2.gz WIJJNPVMIUGOES-LLVKDONJSA-N 0 1 213.284 2.327 20 0 BEADMN CC1(C)CC[C@@H](CN2CCO[C@H]3CCC[C@H]32)O1 ZINC000368463038 356972552 /nfs/dbraw/zinc/97/25/52/356972552.db2.gz RXRSODBGXMJDDN-XQQFMLRXSA-N 0 1 239.359 2.197 20 0 BEADMN C[N@@H+](Cc1cnn(CC(F)(F)F)c1)C1CCC1 ZINC000353683970 538760643 /nfs/dbraw/zinc/76/06/43/538760643.db2.gz RGBMUIKQOLYHTO-UHFFFAOYSA-N 0 1 247.264 2.430 20 0 BEADMN CCOC(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000399564732 356979632 /nfs/dbraw/zinc/97/96/32/356979632.db2.gz HWWKJFFIKSNMQY-SNVBAGLBSA-N 0 1 215.337 2.164 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC000054461657 363571925 /nfs/dbraw/zinc/57/19/25/363571925.db2.gz DAQYJNMNPNWUEV-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@@H](CN1CCC[C@@H]1c1ncccn1)OC ZINC000639871655 357027817 /nfs/dbraw/zinc/02/78/17/357027817.db2.gz PQMZLMNCXHNRHU-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H](NCCOC(C)(C)C)c1ccn(C)n1 ZINC000543635007 325099383 /nfs/dbraw/zinc/09/93/83/325099383.db2.gz DQLHJZLWFPCAEI-NSHDSACASA-N 0 1 239.363 2.276 20 0 BEADMN COCC(C)(C)CN[C@@H](C)c1cscn1 ZINC000389604058 357002967 /nfs/dbraw/zinc/00/29/67/357002967.db2.gz WWVWMZCIVJDWIJ-VIFPVBQESA-N 0 1 228.361 2.466 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2ncc[nH]2)o1 ZINC000390571213 357105947 /nfs/dbraw/zinc/10/59/47/357105947.db2.gz VALSIBFGOQMPOA-SNVBAGLBSA-N 0 1 219.288 2.204 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccc(F)c(F)c1 ZINC000390624158 357108262 /nfs/dbraw/zinc/10/82/62/357108262.db2.gz JIHGGAKOILYVRV-RYUDHWBXSA-N 0 1 227.254 2.232 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nnc(C2CC2)o1 ZINC000390668621 357109634 /nfs/dbraw/zinc/10/96/34/357109634.db2.gz UXKQFYZJNZHGJY-DTWKUNHWSA-N 0 1 223.320 2.471 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000390241724 357086670 /nfs/dbraw/zinc/08/66/70/357086670.db2.gz HWVYJAMVOBZZMY-AAEUAGOBSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)CCN(C(=O)CCc1cnc[nH]1)C1CC1 ZINC000354949586 538786750 /nfs/dbraw/zinc/78/67/50/538786750.db2.gz KLSLJWVYPNIEID-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(C)ccc1F ZINC000390524015 357100416 /nfs/dbraw/zinc/10/04/16/357100416.db2.gz GEQFUCUIOKLSMY-CHWSQXEVSA-N 0 1 223.291 2.401 20 0 BEADMN CC(C)(C)CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000085611430 357100650 /nfs/dbraw/zinc/10/06/50/357100650.db2.gz FBPSUZPLXSEAQL-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CCCCCC(=O)N1CCN(CCC)CC1 ZINC000054485160 363573347 /nfs/dbraw/zinc/57/33/47/363573347.db2.gz YFUMQUYRQZPSGY-UHFFFAOYSA-N 0 1 226.364 2.121 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCSC1)C2 ZINC000628419238 357239914 /nfs/dbraw/zinc/23/99/14/357239914.db2.gz RKEWGGOSNXRLRD-SNVBAGLBSA-N 0 1 235.352 2.461 20 0 BEADMN CCc1nnc(NC(=O)CC2=CCCCC2)[nH]1 ZINC000122994672 357199594 /nfs/dbraw/zinc/19/95/94/357199594.db2.gz KTZKOKWYNROVFT-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN CCc1n[nH]c(NC(=O)CC2=CCCCC2)n1 ZINC000122994672 357199598 /nfs/dbraw/zinc/19/95/98/357199598.db2.gz KTZKOKWYNROVFT-UHFFFAOYSA-N 0 1 234.303 2.196 20 0 BEADMN Cn1c2ccccc2nc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628409376 357209796 /nfs/dbraw/zinc/20/97/96/357209796.db2.gz QVIDUHAIYJPEDQ-PHIMTYICSA-N 0 1 227.311 2.025 20 0 BEADMN [O-]c1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000628410153 357216017 /nfs/dbraw/zinc/21/60/17/357216017.db2.gz GYTIYEVOKYLNFG-AOOOYVTPSA-N 0 1 223.703 2.497 20 0 BEADMN C(c1nc2c(s1)CCC2)N1C[C@@H]2C[C@@H]2C1 ZINC000628410375 357216545 /nfs/dbraw/zinc/21/65/45/357216545.db2.gz KISDTIPZNLHTNZ-DTORHVGOSA-N 0 1 220.341 2.084 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)CCc1cnc[nH]1 ZINC000356249489 538809804 /nfs/dbraw/zinc/80/98/04/538809804.db2.gz FSIOHHAPOHCNPE-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN CC1(CNCc2nccc(C(F)F)n2)CC1 ZINC000393767200 357297727 /nfs/dbraw/zinc/29/77/27/357297727.db2.gz BHYUCGSBQQMHJS-UHFFFAOYSA-N 0 1 227.258 2.304 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccncc1F ZINC000393906440 357305857 /nfs/dbraw/zinc/30/58/57/357305857.db2.gz NFCLYCNOWQDGGT-XXILOJSOSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccon1 ZINC000393949346 357320979 /nfs/dbraw/zinc/32/09/79/357320979.db2.gz QJEJDRPJMIOMQC-YTWAJWBKSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639902991 357327872 /nfs/dbraw/zinc/32/78/72/357327872.db2.gz MFLMHTSRNMTJBV-NKWVEPMBSA-N 0 1 243.257 2.218 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccs1 ZINC000216578148 357328774 /nfs/dbraw/zinc/32/87/74/357328774.db2.gz LHHVEZBMSAQMDB-LLVKDONJSA-N 0 1 241.356 2.476 20 0 BEADMN Cc1onc(C[N@H+]2CCCC2(C)C)c1C(=O)[O-] ZINC000582552021 357333625 /nfs/dbraw/zinc/33/36/25/357333625.db2.gz UVNBYCZCOWBVHT-UHFFFAOYSA-N 0 1 238.287 2.056 20 0 BEADMN COCCCCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000582552212 357333945 /nfs/dbraw/zinc/33/39/45/357333945.db2.gz ZJXGNHIJHOXMBC-GFCCVEGCSA-N 0 1 245.363 2.234 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000582676082 357361166 /nfs/dbraw/zinc/36/11/66/357361166.db2.gz VZLHSGMQGOSSQL-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000394644590 357366497 /nfs/dbraw/zinc/36/64/97/357366497.db2.gz IJBVAQKQQILUSM-UWVGGRQHSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000394644593 357366711 /nfs/dbraw/zinc/36/67/11/357366711.db2.gz IJBVAQKQQILUSM-ZJUUUORDSA-N 0 1 247.285 2.361 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000582812015 357401621 /nfs/dbraw/zinc/40/16/21/357401621.db2.gz LCOMDRUAIFATRQ-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000582812016 357401957 /nfs/dbraw/zinc/40/19/57/357401957.db2.gz LCOMDRUAIFATRQ-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCC1=CCCCC1 ZINC000395354272 357427081 /nfs/dbraw/zinc/42/70/81/357427081.db2.gz GQQDYZPWOXZPNL-SNVBAGLBSA-N 0 1 211.305 2.282 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(F)(F)F ZINC000397111227 357506459 /nfs/dbraw/zinc/50/64/59/357506459.db2.gz RRDVSLXVCWIXDE-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](CC(C)C)OC ZINC000582970751 357448085 /nfs/dbraw/zinc/44/80/85/357448085.db2.gz QZDFAGWOIMJMRR-VXGBXAGGSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](CC(C)C)OC ZINC000582970744 357448330 /nfs/dbraw/zinc/44/83/30/357448330.db2.gz QZDFAGWOIMJMRR-NEPJUHHUSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CC(=O)[O-] ZINC000583036289 357466747 /nfs/dbraw/zinc/46/67/47/357466747.db2.gz IIBNGIUZLUTBPV-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000396976401 357487432 /nfs/dbraw/zinc/48/74/32/357487432.db2.gz KKOANCVENLKUIR-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)COCCN1C[C@H](O)CC1CCCC1 ZINC000188638757 357569886 /nfs/dbraw/zinc/56/98/86/357569886.db2.gz OJRLTVSVEQTFBT-CYBMUJFWSA-N 0 1 241.375 2.038 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@](C)(O)CC2)n1 ZINC000230377540 357530861 /nfs/dbraw/zinc/53/08/61/357530861.db2.gz QHCHYVJMQJADNQ-AWEZNQCLSA-N 0 1 234.343 2.127 20 0 BEADMN Cc1ncsc1CN(C)C[C@@H]1CC[C@H](C)O1 ZINC000188548631 357560948 /nfs/dbraw/zinc/56/09/48/357560948.db2.gz XVBRSOSLOAVVMS-ONGXEEELSA-N 0 1 240.372 2.451 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000230800213 357564677 /nfs/dbraw/zinc/56/46/77/357564677.db2.gz NMLLNVRFQHLIGJ-ZWNOBZJWSA-N 0 1 234.343 2.157 20 0 BEADMN CCc1nc(CN2CCc3ccc(C)cc32)n[nH]1 ZINC000159073023 538873120 /nfs/dbraw/zinc/87/31/20/538873120.db2.gz AGKWKNMAJYRVGH-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cnccn1 ZINC000231791458 357629612 /nfs/dbraw/zinc/62/96/12/357629612.db2.gz YQMNGNQQPTVYHT-YUMQZZPRSA-N 0 1 233.237 2.468 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H](O)C(C)C)c(C)s1 ZINC000159060123 538873684 /nfs/dbraw/zinc/87/36/84/538873684.db2.gz WCSSTLFTMNJOGN-KCJUWKMLSA-N 0 1 242.388 2.427 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccccn1 ZINC000159097295 538874137 /nfs/dbraw/zinc/87/41/37/538874137.db2.gz UIJRVBFHGGBIFV-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cn1nccc1CNCc1scnc1C1CC1 ZINC000486948442 538884504 /nfs/dbraw/zinc/88/45/04/538884504.db2.gz FTOUCWDTAZDNHW-UHFFFAOYSA-N 0 1 248.355 2.044 20 0 BEADMN COc1ccc(CNCc2cncc(C)c2)cn1 ZINC000232163797 357652864 /nfs/dbraw/zinc/65/28/64/357652864.db2.gz RWMNMZDUQBBXFF-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN O=C1OCC[C@@]12CCC[N@H+]2C[C@H]1CC=CCC1 ZINC000190040082 357687781 /nfs/dbraw/zinc/68/77/81/357687781.db2.gz OZUQEKZXXOEARF-JSGCOSHPSA-N 0 1 235.327 2.124 20 0 BEADMN C[C@H](NCc1cocn1)[C@H]1COc2ccccc21 ZINC000191110615 357750269 /nfs/dbraw/zinc/75/02/69/357750269.db2.gz WLPCPAPAVSEMEH-GXFFZTMASA-N 0 1 244.294 2.329 20 0 BEADMN CCS[C@H]1CCC[C@H]1NCc1ncccn1 ZINC000233850426 357756428 /nfs/dbraw/zinc/75/64/28/357756428.db2.gz DDSBTKBWDPTUHJ-MNOVXSKESA-N 0 1 237.372 2.240 20 0 BEADMN CC(C)CN(Cc1ncccn1)C1CC1 ZINC000191934511 357804927 /nfs/dbraw/zinc/80/49/27/357804927.db2.gz RCHMEGQLSGWQIG-UHFFFAOYSA-N 0 1 205.305 2.097 20 0 BEADMN Cc1ocnc1CNC[C@H](O)CC1CCCC1 ZINC000397977911 357819799 /nfs/dbraw/zinc/81/97/99/357819799.db2.gz GHPOFXZMOHSDTR-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1cscn1 ZINC000398171796 357857823 /nfs/dbraw/zinc/85/78/23/357857823.db2.gz PCCYCHHDLILQGX-UTLUCORTSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](NCc1nc2ccccc2o1)[C@@H]1CCCO1 ZINC000193124120 357860677 /nfs/dbraw/zinc/86/06/77/357860677.db2.gz SOPFGOMDQQYCSH-JQWIXIFHSA-N 0 1 246.310 2.485 20 0 BEADMN CC(C)(O)CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000086234359 357873198 /nfs/dbraw/zinc/87/31/98/357873198.db2.gz VCFRIAQJGKSAJP-SECBINFHSA-N 0 1 239.281 2.422 20 0 BEADMN CN(Cc1ccc(CO)o1)[C@H]1CC1(C)C ZINC000583299067 357884338 /nfs/dbraw/zinc/88/43/38/357884338.db2.gz MWMTWCSEIRNAJX-NSHDSACASA-N 0 1 209.289 2.002 20 0 BEADMN C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639930663 357910952 /nfs/dbraw/zinc/91/09/52/357910952.db2.gz YZWAAGCQFWFACB-MWLCHTKSSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@@H](O)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639930663 357910956 /nfs/dbraw/zinc/91/09/56/357910956.db2.gz YZWAAGCQFWFACB-MWLCHTKSSA-N 0 1 209.289 2.043 20 0 BEADMN C[C@H]1CC[C@H](C)N1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639935253 357934089 /nfs/dbraw/zinc/93/40/89/357934089.db2.gz IENKHQOGNIXBLN-BQBZGAKWSA-N 0 1 243.257 2.360 20 0 BEADMN O=C(C1CC=CC1)N1CCN(C2CCCC2)CC1 ZINC000151077491 357965866 /nfs/dbraw/zinc/96/58/66/357965866.db2.gz MWFPMKMTMXRQTE-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN C[N@@H+](C/C=C/c1ccc(Cl)cc1)CC(=O)[O-] ZINC000584457207 357973836 /nfs/dbraw/zinc/97/38/36/357973836.db2.gz BTDKGDFXFFRRDU-NSCUHMNNSA-N 0 1 239.702 2.370 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000035759474 357998597 /nfs/dbraw/zinc/99/85/97/357998597.db2.gz BRGAMODFNIGPSF-LLVKDONJSA-N 0 1 221.300 2.148 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2occc2C(=O)[O-])C1 ZINC000035432897 357992127 /nfs/dbraw/zinc/99/21/27/357992127.db2.gz RIFBVQQMNWTQKS-AOOOYVTPSA-N 0 1 237.299 2.456 20 0 BEADMN CCCC[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035432950 357992362 /nfs/dbraw/zinc/99/23/62/357992362.db2.gz FKRXCZVXNLFBHI-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CSc1nc(=O)n(C[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000584480967 357996610 /nfs/dbraw/zinc/99/66/10/357996610.db2.gz UTBNYUJZLPDBSF-DTWKUNHWSA-N 0 1 241.360 2.120 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000584517162 358028648 /nfs/dbraw/zinc/02/86/48/358028648.db2.gz LTMAQFDFAAIHPA-UMBAGQNISA-N 0 1 237.274 2.244 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000036787685 358052249 /nfs/dbraw/zinc/05/22/49/358052249.db2.gz RRZOXUAFMDFUIT-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN COC(=O)CN(CCCOC(C)(C)C)C(C)C ZINC000610681258 358062368 /nfs/dbraw/zinc/06/23/68/358062368.db2.gz BWGKVARHPGHXCM-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[N@@H+](Cc1ccoc1C(=O)[O-])C1CC1 ZINC000037097529 358064698 /nfs/dbraw/zinc/06/46/98/358064698.db2.gz NMIKRTXBKRWDHB-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000037108848 358065265 /nfs/dbraw/zinc/06/52/65/358065265.db2.gz PZXHRNPJYFHQKU-UHFFFAOYSA-N 0 1 211.261 2.066 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)C(C)C ZINC000037082509 358065340 /nfs/dbraw/zinc/06/53/40/358065340.db2.gz RKWKUJUPMKRWCH-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CCc1nocc1CN1CC[C@@H](OC(C)C)C1 ZINC000584599287 358104195 /nfs/dbraw/zinc/10/41/95/358104195.db2.gz VBRPSFUSGJRPCD-GFCCVEGCSA-N 0 1 238.331 2.236 20 0 BEADMN CN(C)CC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000170761031 134253420 /nfs/dbraw/zinc/25/34/20/134253420.db2.gz AMZSVLYXJWINFW-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@@H](CC)C1 ZINC000222162092 358150538 /nfs/dbraw/zinc/15/05/38/358150538.db2.gz UJNPONJUHAFQHW-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN CCOc1nc2cc(-c3nc(C)no3)ccc2[nH]1 ZINC000351057189 358153204 /nfs/dbraw/zinc/15/32/04/358153204.db2.gz ZPRLUVOKHJVAPZ-UHFFFAOYSA-N 0 1 244.254 2.320 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1c1ccccc1 ZINC000584725314 358166246 /nfs/dbraw/zinc/16/62/46/358166246.db2.gz MWTYEBGFGCQLAB-ZIAGYGMSSA-N 0 1 245.322 2.197 20 0 BEADMN CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000584724642 358166641 /nfs/dbraw/zinc/16/66/41/358166641.db2.gz GTKSFJOLGHEFAS-FOGDFJRCSA-N 0 1 213.321 2.075 20 0 BEADMN FC(F)C1CCC(NCc2ncccn2)CC1 ZINC000584730623 358167829 /nfs/dbraw/zinc/16/78/29/358167829.db2.gz AXQFQIQDUUGVOR-UHFFFAOYSA-N 0 1 241.285 2.390 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)C1CC1 ZINC000076940889 325360268 /nfs/dbraw/zinc/36/02/68/325360268.db2.gz DYDYACUCECRLLV-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN NCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000040418736 358235915 /nfs/dbraw/zinc/23/59/15/358235915.db2.gz BEGKBLDIKPGTPD-UHFFFAOYSA-N 0 1 240.262 2.483 20 0 BEADMN CCc1ccc(CNCc2cnccn2)s1 ZINC000225164723 358246523 /nfs/dbraw/zinc/24/65/23/358246523.db2.gz BCHOBXTZYVZPTP-UHFFFAOYSA-N 0 1 233.340 2.390 20 0 BEADMN COc1ccnc(CN[C@@H](C)C2CCCC2)n1 ZINC000450729353 202248079 /nfs/dbraw/zinc/24/80/79/202248079.db2.gz PCFOYXPJRFAHBI-JTQLQIEISA-N 0 1 235.331 2.154 20 0 BEADMN CCN(Cc1cn(C)nn1)[C@@H](C)CC(C)C ZINC000450721275 202243948 /nfs/dbraw/zinc/24/39/48/202243948.db2.gz WODDSYHQZPBHMZ-NSHDSACASA-N 0 1 224.352 2.072 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NCc1nnc(C)o1 ZINC000163196701 202253496 /nfs/dbraw/zinc/25/34/96/202253496.db2.gz LZHJANPMPBOHLQ-GHMZBOCLSA-N 0 1 223.320 2.436 20 0 BEADMN CCC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000134704929 325372429 /nfs/dbraw/zinc/37/24/29/325372429.db2.gz DDQHSSWVYMKXPB-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN C=C(CC)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229221375 358368222 /nfs/dbraw/zinc/36/82/22/358368222.db2.gz WLIYMZRVEAMZCN-SDDRHHMPSA-N 0 1 223.316 2.138 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@@H]1C=CCCC1 ZINC000230361039 358398015 /nfs/dbraw/zinc/39/80/15/358398015.db2.gz HSHBNKFPDLIYHM-GHMZBOCLSA-N 0 1 211.305 2.280 20 0 BEADMN CCN(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000042040941 358517621 /nfs/dbraw/zinc/51/76/21/358517621.db2.gz SFQWBJJAIKEABO-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN Cc1noc([C@H](C)N2C[C@@H](C)[C@H](C)C2)n1 ZINC000076111435 491132723 /nfs/dbraw/zinc/13/27/23/491132723.db2.gz JJOOCLOYDDYGDD-HLTSFMKQSA-N 0 1 209.293 2.027 20 0 BEADMN CC(C)[C@@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640154212 358438202 /nfs/dbraw/zinc/43/82/02/358438202.db2.gz CYCKQRSSSZBEGA-STQMWFEESA-N 0 1 243.297 2.443 20 0 BEADMN CC(C)[C@@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000640154210 358438474 /nfs/dbraw/zinc/43/84/74/358438474.db2.gz CYCKQRSSSZBEGA-OLZOCXBDSA-N 0 1 243.297 2.443 20 0 BEADMN C[C@@H](NC[C@@H](O)C(C)(C)C)c1cscn1 ZINC000127854995 491132813 /nfs/dbraw/zinc/13/28/13/491132813.db2.gz LEQMGCPUTFJMBE-PSASIEDQSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccoc1 ZINC000135093206 325392941 /nfs/dbraw/zinc/39/29/41/325392941.db2.gz JQCRZGDAVJJHJT-ZJUUUORDSA-N 0 1 238.331 2.233 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000086270194 358560447 /nfs/dbraw/zinc/56/04/47/358560447.db2.gz SCAITQKBBQKADA-DCAQKATOSA-N 0 1 213.321 2.216 20 0 BEADMN C[C@@H](O)CCCN(C)Cc1ccccc1F ZINC000045620323 358564201 /nfs/dbraw/zinc/56/42/01/358564201.db2.gz GPWWTMFSBUHZFB-LLVKDONJSA-N 0 1 225.307 2.419 20 0 BEADMN CC(C)(C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000045770722 358565212 /nfs/dbraw/zinc/56/52/12/358565212.db2.gz QZYYPASZCVAWPB-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](C(=O)N(C)c1ccccc1)N1CCCC1 ZINC000043304351 358536443 /nfs/dbraw/zinc/53/64/43/358536443.db2.gz YMQFDPMWSBGEGT-GFCCVEGCSA-N 0 1 232.327 2.134 20 0 BEADMN CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)[O-] ZINC000130151850 358610856 /nfs/dbraw/zinc/61/08/56/358610856.db2.gz QDZOWBPYERPDOP-NSHDSACASA-N 0 1 243.253 2.432 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccnc(CN)c1 ZINC000130358730 358620640 /nfs/dbraw/zinc/62/06/40/358620640.db2.gz XLFRCESVMIYVDA-GHMZBOCLSA-N 0 1 249.358 2.095 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1ccnc(CN)c1 ZINC000130398990 358623386 /nfs/dbraw/zinc/62/33/86/358623386.db2.gz RFDUAKDEOMJQTP-NSHDSACASA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049447124 358689298 /nfs/dbraw/zinc/68/92/98/358689298.db2.gz LFCHJKQPGHFUAE-GFCCVEGCSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccoc1 ZINC000309453422 358708828 /nfs/dbraw/zinc/70/88/28/358708828.db2.gz NAYGAYFPFLLNFN-VXNVDRBHSA-N 0 1 237.221 2.244 20 0 BEADMN COc1cccc(Cl)c1CNCC[C@@H](C)O ZINC000132928364 358739276 /nfs/dbraw/zinc/73/92/76/358739276.db2.gz HIJVYVGXYHNUFT-SECBINFHSA-N 0 1 243.734 2.209 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2[nH]nc3ccccc32)C1 ZINC000134956989 358813014 /nfs/dbraw/zinc/81/30/14/358813014.db2.gz VJJHLPJRBZOOPR-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN COCCNCc1nc2c(s1)C[C@H](C)CC2 ZINC000053296190 358821319 /nfs/dbraw/zinc/82/13/19/358821319.db2.gz GPIPETWVIQNDQK-SECBINFHSA-N 0 1 240.372 2.004 20 0 BEADMN COCCNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000053296193 358821518 /nfs/dbraw/zinc/82/15/18/358821518.db2.gz GPIPETWVIQNDQK-VIFPVBQESA-N 0 1 240.372 2.004 20 0 BEADMN c1cc(NC[C@H]2CCCOC2)nc2c1CCC2 ZINC000134289011 358785890 /nfs/dbraw/zinc/78/58/90/358785890.db2.gz OJEKJBAQJLJDIB-LLVKDONJSA-N 0 1 232.327 2.409 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881489 358798592 /nfs/dbraw/zinc/79/85/92/358798592.db2.gz PRBZLMXDKKOWSR-DOMZBBRYSA-N 0 1 248.370 2.411 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1nc2c(s1)CCC2 ZINC000134649552 358800515 /nfs/dbraw/zinc/80/05/15/358800515.db2.gz YPRKXJWEZLJXLE-BDAKNGLRSA-N 0 1 238.356 2.071 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(CN)o1 ZINC000136143792 358865394 /nfs/dbraw/zinc/86/53/94/358865394.db2.gz KRPRJZVRBAVZKA-UWVGGRQHSA-N 0 1 236.315 2.141 20 0 BEADMN NCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000135260810 358827639 /nfs/dbraw/zinc/82/76/39/358827639.db2.gz BLKDZNAOYGVSPJ-JQWIXIFHSA-N 0 1 248.326 2.143 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1Cc1ncnn1C ZINC000135340140 358832519 /nfs/dbraw/zinc/83/25/19/358832519.db2.gz CJIZMAPLEPIXJK-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ccncc1CNCc1ccncc1 ZINC000135434903 358838266 /nfs/dbraw/zinc/83/82/66/358838266.db2.gz PCBFSHFJWKZBMJ-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CCCn1ncnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000578307518 366477866 /nfs/dbraw/zinc/47/78/66/366477866.db2.gz KJFRWEBNQFFFQS-OLZOCXBDSA-N 0 1 248.374 2.453 20 0 BEADMN C(N[C@H]1CCSC1)c1nc2c(s1)CCC2 ZINC000308818450 491138394 /nfs/dbraw/zinc/13/83/94/491138394.db2.gz BEPRBKDAKQPAIK-QMMMGPOBSA-N 0 1 240.397 2.227 20 0 BEADMN CC(C)[C@@H](C)NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000061164220 358931954 /nfs/dbraw/zinc/93/19/54/358931954.db2.gz HPKVWPCPGQQZFK-LLVKDONJSA-N 0 1 226.364 2.020 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cccc(O)c2)n1C ZINC000578338691 366528343 /nfs/dbraw/zinc/52/83/43/366528343.db2.gz SBVAKLYJSKAMPH-SNVBAGLBSA-N 0 1 245.326 2.285 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1CCCCC1 ZINC000070921189 359066404 /nfs/dbraw/zinc/06/64/04/359066404.db2.gz BFEMLHOBKFLGPY-CYBMUJFWSA-N 0 1 238.375 2.263 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C)[C@H]2C)n1 ZINC000246432288 359084445 /nfs/dbraw/zinc/08/44/45/359084445.db2.gz DFCYIMYARSCEME-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)n1 ZINC000246432288 359084446 /nfs/dbraw/zinc/08/44/46/359084446.db2.gz DFCYIMYARSCEME-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H](C)[C@H]2C)n1 ZINC000246432288 359084447 /nfs/dbraw/zinc/08/44/47/359084447.db2.gz DFCYIMYARSCEME-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1nccn1C ZINC000070445381 359055276 /nfs/dbraw/zinc/05/52/76/359055276.db2.gz ZKLDAJGETJZWHE-GFCCVEGCSA-N 0 1 239.363 2.133 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1nccn1C ZINC000070445334 359055449 /nfs/dbraw/zinc/05/54/49/359055449.db2.gz TVPWRBXRMDVFAC-LBPRGKRZSA-N 0 1 245.326 2.150 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1cnccn1 ZINC000070479716 359057173 /nfs/dbraw/zinc/05/71/73/359057173.db2.gz DWPPTQYVDFYZFA-NSHDSACASA-N 0 1 235.331 2.086 20 0 BEADMN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1nccs1 ZINC000070732164 359063293 /nfs/dbraw/zinc/06/32/93/359063293.db2.gz QYHUWJZMUYBQAU-NXEZZACHSA-N 0 1 237.372 2.030 20 0 BEADMN c1csc(CN2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000246994475 359181605 /nfs/dbraw/zinc/18/16/05/359181605.db2.gz WPYHSIWLJKVIEE-WDEREUQCSA-N 0 1 238.356 2.144 20 0 BEADMN CCN(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC000074673857 359124063 /nfs/dbraw/zinc/12/40/63/359124063.db2.gz BXKVOYAEAOGWMF-UHFFFAOYSA-N 0 1 229.283 2.072 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@H]2C)o1 ZINC000246549580 359146718 /nfs/dbraw/zinc/14/67/18/359146718.db2.gz CYDZJRHZARHUFY-VHSXEESVSA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@@H]1CCCN([C@H](C)C(=O)OC)CC1 ZINC000246754768 359161285 /nfs/dbraw/zinc/16/12/85/359161285.db2.gz SLOZFFACWIBHRG-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN c1c(CN2CC[C@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450778759 202263288 /nfs/dbraw/zinc/26/32/88/202263288.db2.gz MHCJHOAFDADUKO-OCCSQVGLSA-N 0 1 246.358 2.063 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCCCO2)C[C@H](C)O1 ZINC000247582745 359236630 /nfs/dbraw/zinc/23/66/30/359236630.db2.gz LRYZRZOIXJOKPF-YNEHKIRRSA-N 0 1 227.348 2.055 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@](C)(CC)C1 ZINC000247700558 359241870 /nfs/dbraw/zinc/24/18/70/359241870.db2.gz XSXKKLNVWHNVCA-DGCLKSJQSA-N 0 1 227.348 2.450 20 0 BEADMN COC[C@@H]1CN([C@@H](C)c2cccc(C)c2)CCO1 ZINC000075767368 359210230 /nfs/dbraw/zinc/21/02/30/359210230.db2.gz CPJLUKPKOHMTTE-ZFWWWQNUSA-N 0 1 249.354 2.403 20 0 BEADMN Cc1ccncc1-c1nc([C@H](N)CC(C)C)no1 ZINC000075814811 359221068 /nfs/dbraw/zinc/22/10/68/359221068.db2.gz YOELIBJCLPWYRA-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC(C)(C)C1 ZINC000076013771 359268821 /nfs/dbraw/zinc/26/88/21/359268821.db2.gz NCLITXZZMKHLCT-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@@H](C)[C@H]2C)n1 ZINC000248356857 359268838 /nfs/dbraw/zinc/26/88/38/359268838.db2.gz OVQLYZBTTLCNMY-BBBLOLIVSA-N 0 1 223.320 2.423 20 0 BEADMN CN(C)C1(C(=O)N[C@H]2CCCC(C)(C)C2)CC1 ZINC000613829748 363656192 /nfs/dbraw/zinc/65/61/92/363656192.db2.gz IDEUAHWJEIPTPB-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CC1=CC[C@@](C)(C(=O)N[C@H](C)c2nnc[nH]2)CC1 ZINC000611706380 359425619 /nfs/dbraw/zinc/42/56/19/359425619.db2.gz OHFPRHWPYRWODP-ZWNOBZJWSA-N 0 1 248.330 2.118 20 0 BEADMN CCOC(=O)CCCN1CC[C@H](C)[C@H](F)C1 ZINC000611501656 359383946 /nfs/dbraw/zinc/38/39/46/359383946.db2.gz GKFGKRSIJQVGNQ-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C12CC(C1)C2 ZINC000626687465 359386555 /nfs/dbraw/zinc/38/65/55/359386555.db2.gz UTOJWVWOBXXXEX-UHFFFAOYSA-N 0 1 245.257 2.441 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)c1coc(CN)c1 ZINC000423888952 192844119 /nfs/dbraw/zinc/84/41/19/192844119.db2.gz ZJNGLHMBAZUGEU-SECBINFHSA-N 0 1 236.315 2.047 20 0 BEADMN CCc1nnc(CNC2(C3CC3)CC2)s1 ZINC000309039318 491143142 /nfs/dbraw/zinc/14/31/42/491143142.db2.gz KEVXWUPLNROMHK-UHFFFAOYSA-N 0 1 223.345 2.133 20 0 BEADMN C[C@@H]1CCSCCN1Cc1ccnc(C#N)c1 ZINC000385814560 359755078 /nfs/dbraw/zinc/75/50/78/359755078.db2.gz VRTVRTLOXJUSCW-LLVKDONJSA-N 0 1 247.367 2.281 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2cn(CC3CC3)nn2)C1 ZINC000450861495 202291929 /nfs/dbraw/zinc/29/19/29/202291929.db2.gz YOJAWDLMJMCJBP-SMDDNHRTSA-N 0 1 248.374 2.309 20 0 BEADMN CC(C)c1cc(C(=O)N2C3CCC2CC3)n[nH]1 ZINC000612175127 359723119 /nfs/dbraw/zinc/72/31/19/359723119.db2.gz BEKNBHPSUZORAP-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2cn(CC3CC3)nn2)C1 ZINC000450861492 202292543 /nfs/dbraw/zinc/29/25/43/202292543.db2.gz YOJAWDLMJMCJBP-BXUZGUMPSA-N 0 1 248.374 2.309 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000450884390 202297690 /nfs/dbraw/zinc/29/76/90/202297690.db2.gz RVGHMIWSQNGRIM-RISCZKNCSA-N 0 1 239.359 2.245 20 0 BEADMN CCC(=O)CCCN1CCO[C@H](C(C)(C)C)C1 ZINC000450885537 202298937 /nfs/dbraw/zinc/29/89/37/202298937.db2.gz UYWHZKBHEACQFD-ZDUSSCGKSA-N 0 1 241.375 2.493 20 0 BEADMN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1ccc[nH]1 ZINC000082277615 359768807 /nfs/dbraw/zinc/76/88/07/359768807.db2.gz UMUOQUFTKAGURN-UHFFFAOYSA-N 0 1 244.176 2.009 20 0 BEADMN C[C@H](NCc1nccs1)[C@H]1CCCCO1 ZINC000309095727 491144717 /nfs/dbraw/zinc/14/47/17/491144717.db2.gz CSTLFKUIPTWEIB-VHSXEESVSA-N 0 1 226.345 2.190 20 0 BEADMN CN(C)CC(=O)NCC1(C)CCCCCC1 ZINC000180915959 366559542 /nfs/dbraw/zinc/55/95/42/366559542.db2.gz RKMBYVPOYOMFGY-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CC(C)CC1(C)CCN(Cc2c[nH]nn2)CC1 ZINC000451042955 202336233 /nfs/dbraw/zinc/33/62/33/202336233.db2.gz RJTYLCIRLFTNAH-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN COCC[C@H]1COCCN1CC1=CCCCC1 ZINC000451051721 202337927 /nfs/dbraw/zinc/33/79/27/202337927.db2.gz TWTBNARUKLUGRB-AWEZNQCLSA-N 0 1 239.359 2.224 20 0 BEADMN CC(C)OC(=O)CCN1CCC[C@](C)(F)C1 ZINC000451116847 202353233 /nfs/dbraw/zinc/35/32/33/202353233.db2.gz SPZAOEPIOJLAEL-LBPRGKRZSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)CCOCCN(C(C)C)C1COC1 ZINC000451121382 202357613 /nfs/dbraw/zinc/35/76/13/202357613.db2.gz QUKJLDCNJVFKJC-UHFFFAOYSA-N 0 1 229.364 2.158 20 0 BEADMN COC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451179310 202369690 /nfs/dbraw/zinc/36/96/90/202369690.db2.gz DCGPMOMCEFWDHF-MBNYWOFBSA-N 0 1 247.338 2.426 20 0 BEADMN CN(C[C@H]1CCCCC1(F)F)C(C)(C)C(N)=O ZINC000451136863 202362115 /nfs/dbraw/zinc/36/21/15/202362115.db2.gz QXOIQQNBEDKCKH-SECBINFHSA-N 0 1 248.317 2.008 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](CC)C2)n[nH]1 ZINC000132999612 491145237 /nfs/dbraw/zinc/14/52/37/491145237.db2.gz PTUNFHVWKBWDMQ-SNVBAGLBSA-N 0 1 235.331 2.234 20 0 BEADMN CCc1nc(CNC[C@@]2(C)CCCO2)cs1 ZINC000087253082 359903990 /nfs/dbraw/zinc/90/39/90/359903990.db2.gz SCIUCBVCBYCLIN-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN CN(CCN1CC[C@@H](F)C1)c1ccccc1 ZINC000451194624 202375807 /nfs/dbraw/zinc/37/58/07/202375807.db2.gz WGLDCEHCGITVGS-GFCCVEGCSA-N 0 1 222.307 2.167 20 0 BEADMN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H](F)C1 ZINC000451199581 202378815 /nfs/dbraw/zinc/37/88/15/202378815.db2.gz RENSMGTYDJVZMF-MRVWCRGKSA-N 0 1 237.318 2.195 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000578650015 366618966 /nfs/dbraw/zinc/61/89/66/366618966.db2.gz ZYTYKLIMMCZGBT-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000578874763 366664220 /nfs/dbraw/zinc/66/42/20/366664220.db2.gz DNEXETVTHAWWQU-LXVYMNJGSA-N 0 1 237.343 2.363 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000578905800 366672425 /nfs/dbraw/zinc/67/24/25/366672425.db2.gz JNGCDLKDAVEXAB-RISCZKNCSA-N 0 1 249.358 2.237 20 0 BEADMN CSc1ccccc1C(=O)NCc1cnc[nH]1 ZINC000088753093 359975544 /nfs/dbraw/zinc/97/55/44/359975544.db2.gz OKLOQSMZMOVSKT-UHFFFAOYSA-N 0 1 247.323 2.062 20 0 BEADMN CC[C@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000088752961 359975847 /nfs/dbraw/zinc/97/58/47/359975847.db2.gz CNSJNWCHFROKHZ-ZDUSSCGKSA-N 0 1 243.310 2.220 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@H]1NCc1ncn(C)n1 ZINC000090969278 360095053 /nfs/dbraw/zinc/09/50/53/360095053.db2.gz NKVXAAOMQCAINR-GHMZBOCLSA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)n1cncc1CNCc1cccnc1 ZINC000090207677 360064700 /nfs/dbraw/zinc/06/47/00/360064700.db2.gz SEJUKMONQDMHHI-UHFFFAOYSA-N 0 1 230.315 2.149 20 0 BEADMN CN(C)c1ncc(CNCC(C)(C)F)s1 ZINC000631188539 360124989 /nfs/dbraw/zinc/12/49/89/360124989.db2.gz CGAGZVVUQPOKHF-UHFFFAOYSA-N 0 1 231.340 2.047 20 0 BEADMN Cc1cc(CNC[C@H]2COc3ccccc32)no1 ZINC000092300470 360162205 /nfs/dbraw/zinc/16/22/05/360162205.db2.gz UZVCFUYGFMMOHP-NSHDSACASA-N 0 1 244.294 2.249 20 0 BEADMN CCCO[C@H]1CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC000093317142 360229399 /nfs/dbraw/zinc/22/93/99/360229399.db2.gz ZVYWGOMWVOJNAN-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN CCCO[C@H]1CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC000093317142 360229401 /nfs/dbraw/zinc/22/94/01/360229401.db2.gz ZVYWGOMWVOJNAN-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN CCCO[C@H]1CCCN(Cc2c[nH]cn2)CC1 ZINC000093317142 360229404 /nfs/dbraw/zinc/22/94/04/360229404.db2.gz ZVYWGOMWVOJNAN-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN CC(C)C[C@@H]1COCCN1CC1=CCCOC1 ZINC000093340287 360234051 /nfs/dbraw/zinc/23/40/51/360234051.db2.gz ZMWVDUTWSJUTOG-CQSZACIVSA-N 0 1 239.359 2.080 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)o1 ZINC000094572755 360313142 /nfs/dbraw/zinc/31/31/42/360313142.db2.gz LMXMMVBZTIPFEX-ZYHUDNBSSA-N 0 1 248.326 2.143 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC12CC2 ZINC000633780764 360496059 /nfs/dbraw/zinc/49/60/59/360496059.db2.gz VAYPRJCSUNPBOI-PWSUYJOCSA-N 0 1 247.342 2.037 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N(C1CC1)C1CC1 ZINC000628819466 360674601 /nfs/dbraw/zinc/67/46/01/360674601.db2.gz YDFNTZLSBICODV-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN CC[C@@H](NC[C@@H]1CCSC1)C(F)F ZINC000449366204 200668166 /nfs/dbraw/zinc/66/81/66/200668166.db2.gz XZMTZMHBWDTODH-JGVFFNPUSA-N 0 1 209.305 2.373 20 0 BEADMN Fc1ccc2c(c1)[C@H](NC1CSC1)CCO2 ZINC000309568485 491151712 /nfs/dbraw/zinc/15/17/12/491151712.db2.gz LXNBTDZZAFKRAY-LLVKDONJSA-N 0 1 239.315 2.354 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000629360276 361004825 /nfs/dbraw/zinc/00/48/25/361004825.db2.gz NHDPHLBIIBNNHX-DDTOSNHZSA-N 0 1 245.322 2.154 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629361686 361010855 /nfs/dbraw/zinc/01/08/55/361010855.db2.gz KTEXVENMLVLGTQ-ZYHUDNBSSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629361683 361011087 /nfs/dbraw/zinc/01/10/87/361011087.db2.gz KTEXVENMLVLGTQ-CMPLNLGQSA-N 0 1 245.322 2.399 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000629364832 361018999 /nfs/dbraw/zinc/01/89/99/361018999.db2.gz QLZGJFFOKALFOE-NQBHXWOUSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364718 361019222 /nfs/dbraw/zinc/01/92/22/361019222.db2.gz QSTNCEJWMABCHZ-CMPLNLGQSA-N 0 1 245.322 2.399 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1Cc2cccc(OC)c2C1 ZINC000629372795 361022258 /nfs/dbraw/zinc/02/22/58/361022258.db2.gz HTBQIHAPKHCPRX-LBPRGKRZSA-N 0 1 249.310 2.264 20 0 BEADMN C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000629375577 361025802 /nfs/dbraw/zinc/02/58/02/361025802.db2.gz JJZGWUUDQGQKDH-CBZSPVTBSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000065962472 361084493 /nfs/dbraw/zinc/08/44/93/361084493.db2.gz ZLRFWFZZRMJKRM-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](CN(C)C[C@H](C)S(C)(=O)=O)C(C)(C)C ZINC000640348028 361068049 /nfs/dbraw/zinc/06/80/49/361068049.db2.gz MRZBZBVOJUFBOT-QWRGUYRKSA-N 0 1 249.420 2.034 20 0 BEADMN C[C@H](c1nncn1C)N(C)C[C@@H](C)C(C)(C)C ZINC000640347908 361068074 /nfs/dbraw/zinc/06/80/74/361068074.db2.gz LSGXNODBOAJWQA-GHMZBOCLSA-N 0 1 238.379 2.490 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@@H](C)C2)n1 ZINC000424172501 200875509 /nfs/dbraw/zinc/87/55/09/200875509.db2.gz OEWDZMRKCBNTGB-MNOVXSKESA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(C)C)C1 ZINC000629484404 361090218 /nfs/dbraw/zinc/09/02/18/361090218.db2.gz KFFCQDHUULXEIY-NWDGAFQWSA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H]1C ZINC000629485700 361092770 /nfs/dbraw/zinc/09/27/70/361092770.db2.gz WSUACQZZCKDOCW-HBNTYKKESA-N 0 1 213.321 2.216 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000629489432 361094838 /nfs/dbraw/zinc/09/48/38/361094838.db2.gz HLAMTMNYXCFWOW-MWLCHTKSSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1ccc(CN[C@H](CO)CC(F)F)c(F)c1 ZINC000631122472 361110191 /nfs/dbraw/zinc/11/01/91/361110191.db2.gz PZLHNCLCFIWGAX-JTQLQIEISA-N 0 1 247.260 2.240 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000424306503 200903603 /nfs/dbraw/zinc/90/36/03/200903603.db2.gz IDBTUPCKGRQZQS-QWRGUYRKSA-N 0 1 249.358 2.400 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640380612 361189325 /nfs/dbraw/zinc/18/93/25/361189325.db2.gz UZJBEJGIORDIEX-IUCAKERBSA-N 0 1 244.298 2.189 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1=CCCCC1 ZINC000640380143 361189365 /nfs/dbraw/zinc/18/93/65/361189365.db2.gz OHGLMEGSPXDELB-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1(CCF)CC1 ZINC000640380374 361189586 /nfs/dbraw/zinc/18/95/86/361189586.db2.gz ZALRAANQPXFZAJ-UHFFFAOYSA-N 0 1 248.261 2.036 20 0 BEADMN CC[C@H](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000640380432 361190000 /nfs/dbraw/zinc/19/00/00/361190000.db2.gz RSBSTDARHHNYSS-QMMMGPOBSA-N 0 1 232.287 2.333 20 0 BEADMN CC[C@@H](O)CCN[C@H](C)c1csc(C)n1 ZINC000158868552 361213985 /nfs/dbraw/zinc/21/39/85/361213985.db2.gz HJNXZYVNJJPOEP-PSASIEDQSA-N 0 1 228.361 2.263 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1cccc(C(F)F)c1)C2 ZINC000640487483 361279457 /nfs/dbraw/zinc/27/94/57/361279457.db2.gz RAPIIKDPBHPSNY-AAEUAGOBSA-N 0 1 239.265 2.191 20 0 BEADMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1n[nH]c2ccccc21 ZINC000579070033 366703837 /nfs/dbraw/zinc/70/38/37/366703837.db2.gz QZWPQXDMDFEGDD-GDGBQDQQSA-N 0 1 241.294 2.091 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000575033568 361302371 /nfs/dbraw/zinc/30/23/71/361302371.db2.gz UMQGZQWTYLASOZ-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1SCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@@H]1C ZINC000579016024 366697050 /nfs/dbraw/zinc/69/70/50/366697050.db2.gz LJEJPLVPWLXQMX-NXEZZACHSA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000579025919 366699320 /nfs/dbraw/zinc/69/93/20/366699320.db2.gz MZGDSKNYMWMLQY-DKKFBCOVSA-N 0 1 237.343 2.218 20 0 BEADMN COC1(C)CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428350825 201011374 /nfs/dbraw/zinc/01/13/74/201011374.db2.gz WJPRSYGZDOTTRB-LBPRGKRZSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1nnc(CN(C(C)C)C2CCCC2)[nH]1 ZINC000428375050 201011485 /nfs/dbraw/zinc/01/14/85/201011485.db2.gz CCNSYQQGGXRKEB-UHFFFAOYSA-N 0 1 222.336 2.266 20 0 BEADMN CC[C@@H](C)N(C)Cc1n[nH]c(C(C)C)n1 ZINC000428388429 201013376 /nfs/dbraw/zinc/01/33/76/201013376.db2.gz MTFMGRUXKLJGQR-SECBINFHSA-N 0 1 210.325 2.158 20 0 BEADMN CCn1nncc1CN(C)[C@H](C)C(C)(C)C ZINC000579203830 366733141 /nfs/dbraw/zinc/73/31/41/366733141.db2.gz IJLJGAHNFUFOGR-SNVBAGLBSA-N 0 1 224.352 2.164 20 0 BEADMN CC[C@@]1(O)CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000428425587 201015257 /nfs/dbraw/zinc/01/52/57/201015257.db2.gz MATCPWNJWKUNKA-CQSZACIVSA-N 0 1 237.318 2.481 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)C1CC(O)C1 ZINC000428434231 201016472 /nfs/dbraw/zinc/01/64/72/201016472.db2.gz JYVUCAPBYGSACC-UHFFFAOYSA-N 0 1 238.331 2.062 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)OC2(CCC2)C1 ZINC000579234326 366740998 /nfs/dbraw/zinc/74/09/98/366740998.db2.gz ZNQNNYKHDLUPCN-GFCCVEGCSA-N 0 1 239.359 2.389 20 0 BEADMN CCOc1cccc(CNC2CC(F)(F)C2)n1 ZINC000428651121 201030312 /nfs/dbraw/zinc/03/03/12/201030312.db2.gz KPNGRSLVGGBAEK-UHFFFAOYSA-N 0 1 242.269 2.368 20 0 BEADMN Cc1cccc2nc(CNCc3cocn3)[nH]c21 ZINC000428872227 201047231 /nfs/dbraw/zinc/04/72/31/201047231.db2.gz OTMGYXSWPLLHCS-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CO[C@@]1(C)CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428940626 201048927 /nfs/dbraw/zinc/04/89/27/201048927.db2.gz QWQWJZJTQNPUKI-OCCSQVGLSA-N 0 1 249.358 2.347 20 0 BEADMN CCc1cc(=O)n(-c2nc3ccccc3n2C)[nH]1 ZINC000614186284 363748887 /nfs/dbraw/zinc/74/88/87/363748887.db2.gz XYCGJCRWEWJNHN-UHFFFAOYSA-N 0 1 242.282 2.076 20 0 BEADMN CC[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640616776 361332513 /nfs/dbraw/zinc/33/25/13/361332513.db2.gz QXEIAKXNDDQWHF-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640618492 361334081 /nfs/dbraw/zinc/33/40/81/361334081.db2.gz APUULYXGBWSWKZ-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Fc1ccccc1NCCCNCc1cocn1 ZINC000428854565 201045661 /nfs/dbraw/zinc/04/56/61/201045661.db2.gz FTDVYCGXSASRKU-UHFFFAOYSA-N 0 1 249.289 2.406 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NCc2cocn2)CCO1 ZINC000428867074 201046129 /nfs/dbraw/zinc/04/61/29/201046129.db2.gz ZYVAFNVNCGYLIY-PWSUYJOCSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@H](CC1CCC1)N[C@@H](C)c1ncn(C)n1 ZINC000309811325 491157120 /nfs/dbraw/zinc/15/71/20/491157120.db2.gz ZCLRUEHKHBVIRF-ZJUUUORDSA-N 0 1 222.336 2.044 20 0 BEADMN CC(C)c1nc(CN2CCC[C@@H]2C(F)F)n[nH]1 ZINC000428982471 201053940 /nfs/dbraw/zinc/05/39/40/201053940.db2.gz BKNHCDSBBSXKOH-MRVPVSSYSA-N 0 1 244.289 2.158 20 0 BEADMN CN(Cc1nc2ccccc2o1)C1(CO)CCC1 ZINC000429235024 201080109 /nfs/dbraw/zinc/08/01/09/201080109.db2.gz IGAFHRKMEIHJMK-UHFFFAOYSA-N 0 1 246.310 2.175 20 0 BEADMN CN(C)C1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000614288999 363781548 /nfs/dbraw/zinc/78/15/48/363781548.db2.gz WCCGXWYMWBOOCB-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)C1=C(C)CCC1 ZINC000579273768 366753155 /nfs/dbraw/zinc/75/31/55/366753155.db2.gz ZUCVVXVYRBHOSV-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)C1=C(C)CCC1 ZINC000579273767 366753637 /nfs/dbraw/zinc/75/36/37/366753637.db2.gz ZUCVVXVYRBHOSV-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN Cn1ccnc1[C@H](NC1CC(F)(F)C1)C1CC1 ZINC000429460418 201109734 /nfs/dbraw/zinc/10/97/34/201109734.db2.gz BYQALWYMKSQASF-SNVBAGLBSA-N 0 1 241.285 2.259 20 0 BEADMN Cc1nsc(C)c1C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000579369753 366769260 /nfs/dbraw/zinc/76/92/60/366769260.db2.gz LZHULPYSFRWLOQ-JTQLQIEISA-N 0 1 242.388 2.351 20 0 BEADMN Cc1nc(C(C)C)oc1CN[C@@H]1CCO[C@@H]1C ZINC000429364678 201103007 /nfs/dbraw/zinc/10/30/07/201103007.db2.gz MZARGMFYWZMDFH-GHMZBOCLSA-N 0 1 238.331 2.373 20 0 BEADMN C[C@H]1CC[C@@H](N(C)CC(=O)c2cccn2C)C1 ZINC000429560869 201115726 /nfs/dbraw/zinc/11/57/26/201115726.db2.gz OQMYARFVSGDCSI-NWDGAFQWSA-N 0 1 234.343 2.328 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H]2CC[C@H](C)C2)n1 ZINC000429578527 201117788 /nfs/dbraw/zinc/11/77/88/201117788.db2.gz TVDUTFRVPIOONZ-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H]2CC[C@H](C)C2)n1 ZINC000429578527 201117790 /nfs/dbraw/zinc/11/77/90/201117790.db2.gz TVDUTFRVPIOONZ-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CC/C=C/CCN1CC[C@H](C)[S@](=O)CC1 ZINC000429568134 201119165 /nfs/dbraw/zinc/11/91/65/201119165.db2.gz NWTPYFRRGLJROH-HDOBRADBSA-N 0 1 229.389 2.186 20 0 BEADMN CN(Cc1cnccn1)[C@H]1C[C@H]1c1ccccc1 ZINC000429702331 201126474 /nfs/dbraw/zinc/12/64/74/201126474.db2.gz YUAYVXIEAYJZAK-GJZGRUSLSA-N 0 1 239.322 2.465 20 0 BEADMN CCc1nc(CN[C@@]2(CC)CCOC2)cs1 ZINC000309959708 491158332 /nfs/dbraw/zinc/15/83/32/491158332.db2.gz KIJKIXXJKZTDFM-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)C[C@@H]1C[C@H]1C ZINC000430190563 201152943 /nfs/dbraw/zinc/15/29/43/201152943.db2.gz HQVYCOIOSVUDHB-WOPDTQHZSA-N 0 1 227.348 2.162 20 0 BEADMN Cc1nc(CN(C)[C@H](C)C(C)(C)O)c(C)s1 ZINC000448546813 201202224 /nfs/dbraw/zinc/20/22/24/201202224.db2.gz NHYZQMYILYFZOW-SECBINFHSA-N 0 1 242.388 2.351 20 0 BEADMN C[C@H](Cc1nc([C@@H]2CCCN2)no1)c1ccco1 ZINC000629675428 361598462 /nfs/dbraw/zinc/59/84/62/361598462.db2.gz SIQNKFDLLSIWOV-ZJUUUORDSA-N 0 1 247.298 2.433 20 0 BEADMN CC(C)[C@H]1CCN(Cc2ncnn2C(C)C)C1 ZINC000434485063 201222755 /nfs/dbraw/zinc/22/27/55/201222755.db2.gz SQNYFUJILQHFSE-LBPRGKRZSA-N 0 1 236.363 2.337 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC[C@H](O)C2)o1 ZINC000435058693 201249213 /nfs/dbraw/zinc/24/92/13/201249213.db2.gz NKUIVHGSZFXYFH-GVXVVHGQSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@H](C1CCC1)N(C)Cc1cnns1 ZINC000448552477 201236892 /nfs/dbraw/zinc/23/68/92/201236892.db2.gz AHHLOMBDYMLWNQ-MRVPVSSYSA-N 0 1 211.334 2.159 20 0 BEADMN O[C@H]1CCCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000435055228 201251153 /nfs/dbraw/zinc/25/11/53/201251153.db2.gz HYVFDUHDFUBWHQ-NSHDSACASA-N 0 1 248.301 2.264 20 0 BEADMN Cc1nnc(SCC[C@@H]2CCC[N@@H+]2C)s1 ZINC000153920995 201253629 /nfs/dbraw/zinc/25/36/29/201253629.db2.gz CTLOKYWOBASMHQ-VIFPVBQESA-N 0 1 243.401 2.423 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153957151 201255429 /nfs/dbraw/zinc/25/54/29/201255429.db2.gz GOQIHQZXOJCTEI-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN Cc1cc(CN(C)C2CC(C)(C)C2)nn1C ZINC000448555550 201260447 /nfs/dbraw/zinc/26/04/47/201260447.db2.gz MHNZZRKWWWZZEV-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@@H](CNCc1nc2c(s1)CCC2)OC ZINC000309991565 491159634 /nfs/dbraw/zinc/15/96/34/491159634.db2.gz BGCSZGUGJHREKU-VIFPVBQESA-N 0 1 240.372 2.146 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](C)CCCC(=O)[O-] ZINC000082250029 361694748 /nfs/dbraw/zinc/69/47/48/361694748.db2.gz LLOFWQDUVZSSTQ-VIFPVBQESA-N 0 1 211.261 2.137 20 0 BEADMN C[C@H]1Cc2ccccc2CN1CC1=NOCC1 ZINC001641921925 1172309630 /nfs/dbraw/zinc/30/96/30/1172309630.db2.gz YIEGHJSVTRQJRL-NSHDSACASA-N 0 1 230.311 2.210 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccc(F)cn1 ZINC000452040466 202515477 /nfs/dbraw/zinc/51/54/77/202515477.db2.gz QIKIFKYJPUCVEE-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CCOCc1csc([C@@H]2CCCCN2)n1 ZINC000630381411 364095720 /nfs/dbraw/zinc/09/57/20/364095720.db2.gz OCRJOHQCKUENMI-JTQLQIEISA-N 0 1 226.345 2.494 20 0 BEADMN NCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000041634648 181355876 /nfs/dbraw/zinc/35/58/76/181355876.db2.gz IYFLSJKMHFRSLQ-UHFFFAOYSA-N 0 1 242.278 2.376 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccsc1 ZINC000080111149 370727458 /nfs/dbraw/zinc/72/74/58/370727458.db2.gz GBYXUKXTZPKWKH-UHFFFAOYSA-N 0 1 207.258 2.032 20 0 BEADMN CCC[C@H](CCO)N[C@H](C)c1cc(C)on1 ZINC000631670422 364198759 /nfs/dbraw/zinc/19/87/59/364198759.db2.gz VDKJWUCFZBSZEM-GHMZBOCLSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1ccccc1OCCCn1ccnc1CN ZINC000630583280 364285096 /nfs/dbraw/zinc/28/50/96/364285096.db2.gz CSAISQCCWUUYFE-UHFFFAOYSA-N 0 1 245.326 2.119 20 0 BEADMN CNC(C)(C)c1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000630617018 364354619 /nfs/dbraw/zinc/35/46/19/364354619.db2.gz TUMWFGWOQDLDIS-UTUOFQBUSA-N 0 1 248.374 2.169 20 0 BEADMN CCC1(CC)[C@H](NCc2ccon2)C[C@@H]1OC ZINC000181853256 366852034 /nfs/dbraw/zinc/85/20/34/366852034.db2.gz HQALDKLXLPTVDR-NEPJUHHUSA-N 0 1 238.331 2.358 20 0 BEADMN CCC(=O)CCCN1CC2(CCC2)OC[C@H]1C ZINC000661463347 541362851 /nfs/dbraw/zinc/36/28/51/541362851.db2.gz PMVYXFZMNMSPDQ-GFCCVEGCSA-N 0 1 239.359 2.389 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2cocn2)C12CCC2 ZINC000182075954 366864530 /nfs/dbraw/zinc/86/45/30/366864530.db2.gz LJYHFFOEDSHKSP-VXGBXAGGSA-N 0 1 236.315 2.112 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCOC1(C)C ZINC000453297347 202730013 /nfs/dbraw/zinc/73/00/13/202730013.db2.gz RHGWAHMUGIJBQP-WDEREUQCSA-N 0 1 237.347 2.121 20 0 BEADMN CC1(CC(=O)Nc2n[nH]c3cc(O)ccc32)CC1 ZINC000615134099 364513875 /nfs/dbraw/zinc/51/38/75/364513875.db2.gz SWMIQHDKQNYYCD-UHFFFAOYSA-N 0 1 245.282 2.397 20 0 BEADMN Cc1cc(OCCc2cnn(C)c2)cc(C)n1 ZINC000551980132 364609127 /nfs/dbraw/zinc/60/91/27/364609127.db2.gz ASTBGBCWNSZJSF-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCF ZINC000250847798 364659668 /nfs/dbraw/zinc/65/96/68/364659668.db2.gz NLBOIHVSMYDICU-AXFHLTTASA-N 0 1 229.295 2.064 20 0 BEADMN CCc1nc(CNC[C@@H](OC)C2CC2)cs1 ZINC000292996619 364774139 /nfs/dbraw/zinc/77/41/39/364774139.db2.gz MQRCPWHMCQEIBQ-LLVKDONJSA-N 0 1 240.372 2.220 20 0 BEADMN CC(=O)[C@@H](Sc1nc(C2CC2)n[nH]1)C(C)C ZINC000573368614 364811778 /nfs/dbraw/zinc/81/17/78/364811778.db2.gz PDFAJSAJWLMBNB-VIFPVBQESA-N 0 1 239.344 2.388 20 0 BEADMN CC(=O)[C@@H](Sc1n[nH]c(C2CC2)n1)C(C)C ZINC000573368614 364811781 /nfs/dbraw/zinc/81/17/81/364811781.db2.gz PDFAJSAJWLMBNB-VIFPVBQESA-N 0 1 239.344 2.388 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1cscn1 ZINC000573376023 364815127 /nfs/dbraw/zinc/81/51/27/364815127.db2.gz FMBSITQBPDZWRM-GXSJLCMTSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@]1(F)CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000573375989 364815357 /nfs/dbraw/zinc/81/53/57/364815357.db2.gz DPWIXQGUHJJGJP-UPJWGTAASA-N 0 1 229.339 2.362 20 0 BEADMN C[N@H+](Cc1nc(C(=O)[O-])cs1)CC1CCC1 ZINC000328374608 364841362 /nfs/dbraw/zinc/84/13/62/364841362.db2.gz FNXKPLVPSOLLRK-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000573626820 364880597 /nfs/dbraw/zinc/88/05/97/364880597.db2.gz YGELUYDOMMLASO-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCN(Cc1ccc(OC)cc1F)[C@H](C)CO ZINC000573570935 364864627 /nfs/dbraw/zinc/86/46/27/364864627.db2.gz URTXSLAFSLQZCM-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1nnsc1CN(C)[C@H](C)C(C)C ZINC000573763596 364910838 /nfs/dbraw/zinc/91/08/38/364910838.db2.gz YIBDEMJBUDDKER-SECBINFHSA-N 0 1 213.350 2.323 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@H]1CCCC1(F)F ZINC000573864765 364935665 /nfs/dbraw/zinc/93/56/65/364935665.db2.gz ZHXPWDVCASTCHQ-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H](O)CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000574010558 364964824 /nfs/dbraw/zinc/96/48/24/364964824.db2.gz AIQSCPIQWDUSKH-UKRRQHHQSA-N 0 1 249.354 2.005 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000574216939 365013239 /nfs/dbraw/zinc/01/32/39/365013239.db2.gz NCKGVVNIYLXSTJ-QWRGUYRKSA-N 0 1 237.347 2.139 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000574216937 365013414 /nfs/dbraw/zinc/01/34/14/365013414.db2.gz NCKGVVNIYLXSTJ-GHMZBOCLSA-N 0 1 237.347 2.139 20 0 BEADMN Cc1cnccc1CCN1CCOC[C@H]1C1CC1 ZINC000574315975 365034959 /nfs/dbraw/zinc/03/49/59/365034959.db2.gz AZFHMEIOGIAWPV-HNNXBMFYSA-N 0 1 246.354 2.043 20 0 BEADMN CC[C@@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000574697007 365124765 /nfs/dbraw/zinc/12/47/65/365124765.db2.gz GIVRIUPJNZKJTQ-JSGCOSHPSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1nccs1 ZINC000443307599 193016338 /nfs/dbraw/zinc/01/63/38/193016338.db2.gz IFBIVGOJWRPPRP-VWYCJHECSA-N 0 1 240.372 2.124 20 0 BEADMN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000171176854 365174447 /nfs/dbraw/zinc/17/44/47/365174447.db2.gz DAQVOGBWOOYJJL-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](c1nccc(N)n1)N1C[C@H](C)CC(C)(C)C1 ZINC000574766312 365139934 /nfs/dbraw/zinc/13/99/34/365139934.db2.gz GKHSEGBWQFBMCE-GHMZBOCLSA-N 0 1 248.374 2.318 20 0 BEADMN CCc1cc(CNC[C@H](O)CCC(C)C)on1 ZINC000574804166 365147341 /nfs/dbraw/zinc/14/73/41/365147341.db2.gz RIJHVIICCSSPAQ-GFCCVEGCSA-N 0 1 240.347 2.124 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC(CC2CC2)C1 ZINC000622248867 370800027 /nfs/dbraw/zinc/80/00/27/370800027.db2.gz HCBTXGAKODIAAQ-UHFFFAOYSA-N 0 1 249.285 2.403 20 0 BEADMN Cc1nnc(CNCCc2cccc(C)c2)s1 ZINC000575083409 365192275 /nfs/dbraw/zinc/19/22/75/365192275.db2.gz JMIGLLQPUSZQDQ-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000622273616 370814020 /nfs/dbraw/zinc/81/40/20/370814020.db2.gz WKHXOCXAAUDESN-SECBINFHSA-N 0 1 247.273 2.366 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000622273617 370814168 /nfs/dbraw/zinc/81/41/68/370814168.db2.gz WKHXOCXAAUDESN-VIFPVBQESA-N 0 1 247.273 2.366 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000444464381 193046849 /nfs/dbraw/zinc/04/68/49/193046849.db2.gz IURHGLFOYKJUNJ-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2ncccn2)C1 ZINC000192050688 365272019 /nfs/dbraw/zinc/27/20/19/365272019.db2.gz DEXZOGZJGWWEEW-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000580531450 365331052 /nfs/dbraw/zinc/33/10/52/365331052.db2.gz MWZBBEGSAUXLIX-SECBINFHSA-N 0 1 247.342 2.290 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nc(C2CC2)nn1C ZINC000575919428 365413526 /nfs/dbraw/zinc/41/35/26/365413526.db2.gz FTFQQPJTSZPZAK-JQWIXIFHSA-N 0 1 248.374 2.455 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000082501685 541460600 /nfs/dbraw/zinc/46/06/00/541460600.db2.gz STKRXBDDNUZZOM-QMMMGPOBSA-N 0 1 225.313 2.288 20 0 BEADMN C[N@H+](Cc1ccsc1C(=O)[O-])CC1CC1 ZINC000082501681 541460696 /nfs/dbraw/zinc/46/06/96/541460696.db2.gz ZYXOFCFNKLTSSP-UHFFFAOYSA-N 0 1 225.313 2.288 20 0 BEADMN Cc1nc(C)c(C[N@H+](C)[C@H](C)CC(=O)[O-])s1 ZINC000576054226 365467225 /nfs/dbraw/zinc/46/72/25/365467225.db2.gz UWFTTZZSTCZGIC-SSDOTTSWSA-N 0 1 242.344 2.055 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000576066262 365473016 /nfs/dbraw/zinc/47/30/16/365473016.db2.gz JOCZTROWDFCPLB-WDEREUQCSA-N 0 1 245.244 2.371 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000579602624 366900600 /nfs/dbraw/zinc/90/06/00/366900600.db2.gz LGRBRKIFRBZEMG-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN CCCCOCCN[C@H](CC)c1nccn1C ZINC000182677279 366930764 /nfs/dbraw/zinc/93/07/64/366930764.db2.gz QNJODEGVBXYPAD-GFCCVEGCSA-N 0 1 239.363 2.278 20 0 BEADMN C[C@@H](C(=O)N1CCC(C(C)(C)C)CC1)N(C)C ZINC000200984861 541481282 /nfs/dbraw/zinc/48/12/82/541481282.db2.gz MFXQTJOTUUNLDD-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000156094986 541485516 /nfs/dbraw/zinc/48/55/16/541485516.db2.gz OXCKFESEYBZYLF-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN COC[C@H](C)N(C)Cc1cnn(CC(C)C)c1 ZINC000183135166 366979837 /nfs/dbraw/zinc/97/98/37/366979837.db2.gz BJJOWKMEMSOEDQ-LBPRGKRZSA-N 0 1 239.363 2.006 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@]1(C)C(=O)[O-] ZINC000579719811 366991856 /nfs/dbraw/zinc/99/18/56/366991856.db2.gz IOFXTAPHFGWIFF-ZWNOBZJWSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1nc2c(n1C[C@H]1CCCOC1)CCCC2 ZINC000579733279 366998640 /nfs/dbraw/zinc/99/86/40/366998640.db2.gz LJKRXYKZRFEOAW-GFCCVEGCSA-N 0 1 234.343 2.497 20 0 BEADMN C[C@H]1SCC[N@@H+](Cc2ncccc2O)[C@@H]1C ZINC000579764341 367002132 /nfs/dbraw/zinc/00/21/32/367002132.db2.gz UWBISNDXGDUXBW-NXEZZACHSA-N 0 1 238.356 2.113 20 0 BEADMN CSCC[N@@H+](C)Cc1cnn(CC(C)C)c1 ZINC000183329155 367015652 /nfs/dbraw/zinc/01/56/52/367015652.db2.gz JKNGBGQJFSZBBQ-UHFFFAOYSA-N 0 1 241.404 2.334 20 0 BEADMN CSCCN(C)Cc1cnn(CC(C)C)c1 ZINC000183329155 367015657 /nfs/dbraw/zinc/01/56/57/367015657.db2.gz JKNGBGQJFSZBBQ-UHFFFAOYSA-N 0 1 241.404 2.334 20 0 BEADMN CN(C(=O)c1c[nH]nc1C1CC1)c1nccs1 ZINC000184392342 367074931 /nfs/dbraw/zinc/07/49/31/367074931.db2.gz ORDJYSXNLHESFV-UHFFFAOYSA-N 0 1 248.311 2.020 20 0 BEADMN Cc1ccccc1CN(C)[C@@H](C)C[S@](C)=O ZINC000185132340 367120580 /nfs/dbraw/zinc/12/05/80/367120580.db2.gz KANSXELVGZBOBT-LRDDRELGSA-N 0 1 239.384 2.194 20 0 BEADMN c1[nH]nnc1CCSC1CCCCC1 ZINC000580843218 367185903 /nfs/dbraw/zinc/18/59/03/367185903.db2.gz ANDFPACBQMWNHZ-UHFFFAOYSA-N 0 1 211.334 2.413 20 0 BEADMN C[C@@H](NCCCOC(F)F)c1cscn1 ZINC000380272725 367168092 /nfs/dbraw/zinc/16/80/92/367168092.db2.gz WWJKNTGBERCOSN-SSDOTTSWSA-N 0 1 236.287 2.423 20 0 BEADMN C[C@H](NCCCOC(F)F)c1cscn1 ZINC000380272727 367169150 /nfs/dbraw/zinc/16/91/50/367169150.db2.gz WWJKNTGBERCOSN-ZETCQYMHSA-N 0 1 236.287 2.423 20 0 BEADMN CN(C)CC(=O)NCc1ccc2ccccc2c1 ZINC000193550946 367191431 /nfs/dbraw/zinc/19/14/31/367191431.db2.gz LOHMTPGMUQVDGC-UHFFFAOYSA-N 0 1 242.322 2.018 20 0 BEADMN C[C@@H]1CCCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000580898155 367201414 /nfs/dbraw/zinc/20/14/14/367201414.db2.gz VYRYZISGSBRFDP-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](CC[C@H](C)F)C1CCC1 ZINC000580904139 367204194 /nfs/dbraw/zinc/20/41/94/367204194.db2.gz DCMMFPXBGIRNMS-DTWKUNHWSA-N 0 1 217.284 2.062 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](CCCCCC(=O)[O-])C[C@@H]21 ZINC000380420243 367206759 /nfs/dbraw/zinc/20/67/59/367206759.db2.gz NLYNYUWEWZGJIE-PHIMTYICSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1cnc([C@H](C)N2[C@H](C)C[C@H]2C)cn1 ZINC000581048425 367244380 /nfs/dbraw/zinc/24/43/80/367244380.db2.gz HIFGPGSNNBFJAX-MXWKQRLJSA-N 0 1 205.305 2.329 20 0 BEADMN COC[C@@H](C)N(C)Cc1ccc(F)cc1F ZINC000195006339 367332518 /nfs/dbraw/zinc/33/25/18/367332518.db2.gz VTUIYLGDVADCIP-SECBINFHSA-N 0 1 229.270 2.432 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000581196834 367290577 /nfs/dbraw/zinc/29/05/77/367290577.db2.gz QUCBKGKKLWYKBA-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CSc1nn(CC2CCC(C)CC2)c(=O)[nH]1 ZINC000194582489 367306210 /nfs/dbraw/zinc/30/62/10/367306210.db2.gz ZCVFTEDIORKEQM-UHFFFAOYSA-N 0 1 241.360 2.120 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1cc(C(=O)[O-])co1 ZINC000381382508 367391099 /nfs/dbraw/zinc/39/10/99/367391099.db2.gz LABFXVDADVVFKZ-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000581391478 367424207 /nfs/dbraw/zinc/42/42/07/367424207.db2.gz HSHXSCHAVNYQDS-SNVBAGLBSA-N 0 1 249.285 2.388 20 0 BEADMN Cc1cncc(C[N@H+](C)C2(C(=O)[O-])CCCC2)c1 ZINC000381246990 367370350 /nfs/dbraw/zinc/37/03/50/367370350.db2.gz LJGIAZUWCLTTQH-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCNC(=O)[C@H](C)N[C@H](CC)c1ccsc1 ZINC000382140327 367489494 /nfs/dbraw/zinc/48/94/94/367489494.db2.gz QMTKDYHGIKUTKO-GXSJLCMTSA-N 0 1 240.372 2.313 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000381618069 367438783 /nfs/dbraw/zinc/43/87/83/367438783.db2.gz QSYKNJWFQOINGX-KXUCPTDWSA-N 0 1 247.285 2.217 20 0 BEADMN CC1(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])CCC1 ZINC000381669235 367445786 /nfs/dbraw/zinc/44/57/86/367445786.db2.gz WGMZAVXRHJHFKW-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cccc(F)c1F ZINC000381772974 367457092 /nfs/dbraw/zinc/45/70/92/367457092.db2.gz WLGZGZCGXWZQMC-GHMZBOCLSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](N(C)Cc1nc2ccccc2[nH]1)C(C)(C)O ZINC000382852813 367563671 /nfs/dbraw/zinc/56/36/71/367563671.db2.gz KEDCZTOLVRCUIM-JTQLQIEISA-N 0 1 247.342 2.154 20 0 BEADMN CC(C)OCCC[N@@H+](C)CCCCCC(=O)[O-] ZINC000383458560 367624388 /nfs/dbraw/zinc/62/43/88/367624388.db2.gz OEFROHNWJSZSSE-UHFFFAOYSA-N 0 1 245.363 2.378 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000581634622 367642336 /nfs/dbraw/zinc/64/23/36/367642336.db2.gz WPFLTYROXYGPEI-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000581634622 367642340 /nfs/dbraw/zinc/64/23/40/367642340.db2.gz WPFLTYROXYGPEI-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CC/C=C\CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000384732523 367723847 /nfs/dbraw/zinc/72/38/47/367723847.db2.gz JZVURHUUMFDPJL-NRFYAWERSA-N 0 1 205.305 2.445 20 0 BEADMN CC/C=C\CNCc1cc(C(=O)OC)c(C)o1 ZINC000384887177 367750833 /nfs/dbraw/zinc/75/08/33/367750833.db2.gz JYMCFHWJTDYMFW-WAYWQWQTSA-N 0 1 237.299 2.430 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000384892855 367752184 /nfs/dbraw/zinc/75/21/84/367752184.db2.gz YTMXYQIZJLLVFH-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@H](C)O[C@@H]2C)s1 ZINC000385112913 367793651 /nfs/dbraw/zinc/79/36/51/367793651.db2.gz JGWQAFPAYMJWOL-FXBDTBDDSA-N 0 1 226.345 2.107 20 0 BEADMN CCn1ccnc1CNC[C@H]1CCCC1(F)F ZINC000385166001 367803855 /nfs/dbraw/zinc/80/38/55/367803855.db2.gz FQKYYIIDHDTGFJ-SNVBAGLBSA-N 0 1 243.301 2.428 20 0 BEADMN Cc1cnc(CNC[C@H](O)CCC(C)C)s1 ZINC000581880099 367865509 /nfs/dbraw/zinc/86/55/09/367865509.db2.gz RCHGUJNSCNSBGD-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN CC[C@H]1CCN1Cc1cnc(N2CCCC2)nc1 ZINC000581762816 367818100 /nfs/dbraw/zinc/81/81/00/367818100.db2.gz HXJHUAQQCISPRF-ZDUSSCGKSA-N 0 1 246.358 2.061 20 0 BEADMN Cc1cc(C)c(Cn2ccnc2)c(C)n1 ZINC000631013126 370892279 /nfs/dbraw/zinc/89/22/79/370892279.db2.gz SDPLVPVRZJSSDK-UHFFFAOYSA-N 0 1 201.273 2.252 20 0 BEADMN CC[C@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)OC ZINC000386614155 368001233 /nfs/dbraw/zinc/00/12/33/368001233.db2.gz XEPFVHBNUNYMHC-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CCN(C)CC(=O)Nc1ccccc1SC ZINC000031042651 368248733 /nfs/dbraw/zinc/24/87/33/368248733.db2.gz HCJUZEGVUZTBEZ-UHFFFAOYSA-N 0 1 238.356 2.299 20 0 BEADMN C=C[C@H](C(=O)[O-])[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399583141 368276691 /nfs/dbraw/zinc/27/66/91/368276691.db2.gz NZUXWGOGYGENTM-VHSXEESVSA-N 0 1 213.321 2.240 20 0 BEADMN CCc1ccc(CN(C)C(=O)c2ccn[nH]2)cc1 ZINC000042230726 368302360 /nfs/dbraw/zinc/30/23/60/368302360.db2.gz QZFLQYVHGABCMO-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN CC/C=C\CCN1CCNC(=O)[C@@]1(C)CCC ZINC000445894930 201657271 /nfs/dbraw/zinc/65/72/71/201657271.db2.gz RORRPCWFKBPDNK-LMVHVUTASA-N 0 1 238.375 2.333 20 0 BEADMN CC(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000043084643 368392057 /nfs/dbraw/zinc/39/20/57/368392057.db2.gz ISUSDFDOPOBVPV-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN COCCN(CCOC(C)C)Cc1ccco1 ZINC000046601276 368445705 /nfs/dbraw/zinc/44/57/05/368445705.db2.gz WCEGSEAJSGXHFK-UHFFFAOYSA-N 0 1 241.331 2.153 20 0 BEADMN CCN(CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000060992118 368558005 /nfs/dbraw/zinc/55/80/05/368558005.db2.gz SDDPSHCJVRRKNN-CQSZACIVSA-N 0 1 246.354 2.348 20 0 BEADMN CCn1ccnc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000060339996 368539212 /nfs/dbraw/zinc/53/92/12/368539212.db2.gz GZNSQAVSRSNUKZ-VXGBXAGGSA-N 0 1 221.348 2.381 20 0 BEADMN CCN(CC(=O)N(CC)CC)Cc1ccccc1 ZINC000061758223 368567822 /nfs/dbraw/zinc/56/78/22/368567822.db2.gz LVNNWOOTFYDHPK-UHFFFAOYSA-N 0 1 248.370 2.377 20 0 BEADMN OCCN(Cc1cccc(F)c1F)CC1CC1 ZINC000064516644 368608168 /nfs/dbraw/zinc/60/81/68/368608168.db2.gz XVQDZZSPURWKJT-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN C[C@H](CN(C)C(=O)c1ccn[nH]1)c1ccccc1 ZINC000066458740 368650058 /nfs/dbraw/zinc/65/00/58/368650058.db2.gz BLYBUDIFWKOECW-LLVKDONJSA-N 0 1 243.310 2.285 20 0 BEADMN C[C@@H]1CN(C)CCN1c1nc2ccccc2s1 ZINC000067448426 368690184 /nfs/dbraw/zinc/69/01/84/368690184.db2.gz NSHKAMZTGDVYHV-SNVBAGLBSA-N 0 1 247.367 2.437 20 0 BEADMN COc1ccc(Cl)cc1CN(C)CCCO ZINC000067766929 368698788 /nfs/dbraw/zinc/69/87/88/368698788.db2.gz YJLHQRONAHCORG-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN Cc1ncccc1NC(=O)c1cn[nH]c1C(C)C ZINC000622405130 370901709 /nfs/dbraw/zinc/90/17/09/370901709.db2.gz HHOADIVKQFIKER-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1occc1CNCc1cccnc1 ZINC000067218019 368681211 /nfs/dbraw/zinc/68/12/11/368681211.db2.gz LXFISGPRJJBKIW-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN Cc1cc(C)n(CCN(C)CCC(F)(F)F)n1 ZINC000068813889 368737580 /nfs/dbraw/zinc/73/75/80/368737580.db2.gz REIAQUQILFXCTH-UHFFFAOYSA-N 0 1 249.280 2.384 20 0 BEADMN CCCOCC(=O)Nc1ccc(F)c(F)c1O ZINC000457296016 203034675 /nfs/dbraw/zinc/03/46/75/203034675.db2.gz PHQMNFLQCFRILE-UHFFFAOYSA-N 0 1 245.225 2.036 20 0 BEADMN CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000070974303 368769019 /nfs/dbraw/zinc/76/90/19/368769019.db2.gz XXFVYGGFXYXUIK-AWEZNQCLSA-N 0 1 246.354 2.177 20 0 BEADMN CC(C)CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071027591 368769752 /nfs/dbraw/zinc/76/97/52/368769752.db2.gz BEGJLUUESYEVCW-UHFFFAOYSA-N 0 1 244.298 2.252 20 0 BEADMN CCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071027531 368769849 /nfs/dbraw/zinc/76/98/49/368769849.db2.gz KSOAMWIXBAEXND-UHFFFAOYSA-N 0 1 244.298 2.396 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000088796344 368928796 /nfs/dbraw/zinc/92/87/96/368928796.db2.gz ZAINIKRTYHIYAP-KGLIPLIRSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1ncc(C(=O)N2[C@H](C)CCC2(C)C)[nH]1 ZINC000616178268 369010724 /nfs/dbraw/zinc/01/07/24/369010724.db2.gz XJHFTUGVBXSLKD-MRVPVSSYSA-N 0 1 221.304 2.121 20 0 BEADMN CC(C)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000116112322 369021804 /nfs/dbraw/zinc/02/18/04/369021804.db2.gz GVRXBVOPWVPILL-UHFFFAOYSA-N 0 1 233.311 2.399 20 0 BEADMN Cc1ccc(N2CC[C@@H](N3CCCC3)C2=O)cc1 ZINC000006070917 369031219 /nfs/dbraw/zinc/03/12/19/369031219.db2.gz VKERRRJLZIDHSP-CQSZACIVSA-N 0 1 244.338 2.196 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H](C2CCCCC2)C1 ZINC000618184213 369080875 /nfs/dbraw/zinc/08/08/75/369080875.db2.gz UMUHJSYSDVOVHU-LBPRGKRZSA-N 0 1 247.342 2.452 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC000457665754 203087695 /nfs/dbraw/zinc/08/76/95/203087695.db2.gz KMUMVSAVKPOXTB-ONGXEEELSA-N 0 1 249.358 2.202 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H](C)C2)CCN1 ZINC000155147223 326186717 /nfs/dbraw/zinc/18/67/17/326186717.db2.gz RJEQVFQBZHBRBH-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000458136446 203138765 /nfs/dbraw/zinc/13/87/65/203138765.db2.gz XRFSIGDTMIOKIF-CMPLNLGQSA-N 0 1 243.310 2.337 20 0 BEADMN CCC[C@@H](NC(=O)[C@H]1CCCN1C)C1CCC1 ZINC000458348739 203164981 /nfs/dbraw/zinc/16/49/81/203164981.db2.gz YZMRYVYMQXYYRK-CHWSQXEVSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000618871171 369231621 /nfs/dbraw/zinc/23/16/21/369231621.db2.gz ORRIVUCELZMYQG-JQWIXIFHSA-N 0 1 247.342 2.134 20 0 BEADMN COCc1cc(CN2C[C@H](C)C[C@@H](C)C2)no1 ZINC000459295802 203250656 /nfs/dbraw/zinc/25/06/56/203250656.db2.gz LUDISRVOWZTTOQ-GHMZBOCLSA-N 0 1 238.331 2.299 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccsc1C ZINC001642624763 1172384465 /nfs/dbraw/zinc/38/44/65/1172384465.db2.gz ARQPDVQYEJPDIM-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cc(COC)on1 ZINC000459348843 203263165 /nfs/dbraw/zinc/26/31/65/203263165.db2.gz RDEVWLRLMVGUMD-JQWIXIFHSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN2CC[C@@H](C(C)C)C2)no1 ZINC000459353845 203263868 /nfs/dbraw/zinc/26/38/68/203263868.db2.gz LVDHOVSBMZHCFB-LLVKDONJSA-N 0 1 238.331 2.299 20 0 BEADMN COCc1cc(CN2C[C@H]3CCC[C@@H]3C2)no1 ZINC000459357787 203267402 /nfs/dbraw/zinc/26/74/02/203267402.db2.gz WMVLRVZMTFSXRN-GHMZBOCLSA-N 0 1 236.315 2.053 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H]1C ZINC000459358659 203268397 /nfs/dbraw/zinc/26/83/97/203268397.db2.gz NAVMVYHAHXKYPT-ZJUUUORDSA-N 0 1 247.342 2.290 20 0 BEADMN CCOCCOC1CN(C[C@H](C)CC(C)C)C1 ZINC000459472684 203287138 /nfs/dbraw/zinc/28/71/38/203287138.db2.gz XWUCVVHHXHXMBO-CYBMUJFWSA-N 0 1 243.391 2.406 20 0 BEADMN CCOC[C@H]1CCC[C@H]1NCC(F)F ZINC000459546616 203292956 /nfs/dbraw/zinc/29/29/56/203292956.db2.gz MWVVGVKWGIHQAX-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1cc(CNC[C@H](CCO)CC(C)C)no1 ZINC000459428752 203279727 /nfs/dbraw/zinc/27/97/27/203279727.db2.gz VXXCBKTUFCYEAY-GFCCVEGCSA-N 0 1 240.347 2.117 20 0 BEADMN COc1ccccc1/C=C\CN1CC(CCO)C1 ZINC000459592676 203310458 /nfs/dbraw/zinc/31/04/58/203310458.db2.gz NENWWTPZJAYCIF-XQRVVYSFSA-N 0 1 247.338 2.023 20 0 BEADMN COC(=O)c1coc(CN2CC(C(C)C)C2)c1 ZINC000619431100 369349291 /nfs/dbraw/zinc/34/92/91/369349291.db2.gz BPRBIUZIJRJRRW-UHFFFAOYSA-N 0 1 237.299 2.154 20 0 BEADMN COCc1cc(CNCCC2(F)CCC2)no1 ZINC000459554697 203302181 /nfs/dbraw/zinc/30/21/81/203302181.db2.gz AEKRUXXDBCKVMM-UHFFFAOYSA-N 0 1 242.294 2.193 20 0 BEADMN COCc1cc(CNC[C@@H]2C[C@H]2C(C)C)no1 ZINC000459570897 203302678 /nfs/dbraw/zinc/30/26/78/203302678.db2.gz NEGULJAKYJUDNS-GWCFXTLKSA-N 0 1 238.331 2.203 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCO[C@@H](C)C1 ZINC000623679232 369378672 /nfs/dbraw/zinc/37/86/72/369378672.db2.gz NLCYDJGVPBNQTP-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)no1 ZINC000459661026 203327940 /nfs/dbraw/zinc/32/79/40/203327940.db2.gz MHFVAYMNRUQAFO-KLPPZKSPSA-N 0 1 224.304 2.029 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2csc(CC)n2)C1 ZINC000459639762 203328155 /nfs/dbraw/zinc/32/81/55/203328155.db2.gz DOSNBMDTUUSLBD-JGZJWPJOSA-N 0 1 240.372 2.363 20 0 BEADMN COC[C@@H](CC(C)C)NCc1cnc(C)o1 ZINC000459683174 203336328 /nfs/dbraw/zinc/33/63/28/203336328.db2.gz ZTNPUYYMKHYEAS-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN CCNC(=O)CN(C)[C@H](C)c1cccc(C)c1 ZINC000072578706 369477873 /nfs/dbraw/zinc/47/78/73/369477873.db2.gz LINDDAKBJKXIOT-GFCCVEGCSA-N 0 1 234.343 2.124 20 0 BEADMN CCc1ncc(CN[C@H](C)[C@H]2CCCCO2)o1 ZINC000623996129 370956738 /nfs/dbraw/zinc/95/67/38/370956738.db2.gz URVUFVNVMUTBEM-ZYHUDNBSSA-N 0 1 238.331 2.284 20 0 BEADMN CCCC[C@H](COC)N[C@H](C)c1ccn(C)n1 ZINC000459758888 203357571 /nfs/dbraw/zinc/35/75/71/203357571.db2.gz QUQJWLSMMXBPIA-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN COc1ccccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000459778693 203365467 /nfs/dbraw/zinc/36/54/67/203365467.db2.gz ZERJYXHNUVVXPN-RYUDHWBXSA-N 0 1 235.352 2.385 20 0 BEADMN COC[C@@H](CC(C)C)N[C@@H](C)c1ccn(C)n1 ZINC000459741169 203350308 /nfs/dbraw/zinc/35/03/08/203350308.db2.gz FELHUQZUEPXBET-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN CC(C)(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000082277475 370979027 /nfs/dbraw/zinc/97/90/27/370979027.db2.gz BTGGOPBWNCKZOX-UHFFFAOYSA-N 0 1 244.298 2.252 20 0 BEADMN CC[C@@]1(C)CCN(Cc2snnc2C)C1 ZINC000567990031 326292428 /nfs/dbraw/zinc/29/24/28/326292428.db2.gz YBJAVWUDWXGDDI-NSHDSACASA-N 0 1 225.361 2.469 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nnc(C2CC2)o1 ZINC000619887720 369625251 /nfs/dbraw/zinc/62/52/51/369625251.db2.gz PWRMOTDRYYRMRU-SECBINFHSA-N 0 1 223.320 2.423 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C(C)C)C2CC2)c1C ZINC000620042395 369684909 /nfs/dbraw/zinc/68/49/09/369684909.db2.gz QDPZPEAREIUECB-LLVKDONJSA-N 0 1 235.331 2.191 20 0 BEADMN CC(C)[C@H](NC(=O)C(C)(C)c1cnc[nH]1)C1CC1 ZINC000620044497 369687573 /nfs/dbraw/zinc/68/75/73/369687573.db2.gz IRULZDUXNQQBLC-LBPRGKRZSA-N 0 1 249.358 2.238 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC1 ZINC000568060564 326301997 /nfs/dbraw/zinc/30/19/97/326301997.db2.gz GVCNYHOUQZGJTE-LLVKDONJSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000568067499 326303360 /nfs/dbraw/zinc/30/33/60/326303360.db2.gz WXRCPLHNCQBSIG-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H](C2CCC2)C1 ZINC000620215429 369775463 /nfs/dbraw/zinc/77/54/63/369775463.db2.gz SUFHZDXVHVEBGV-LLVKDONJSA-N 0 1 233.315 2.062 20 0 BEADMN CCCNC(=O)CNCc1ccc(CCC)cc1 ZINC000620436310 369876728 /nfs/dbraw/zinc/87/67/28/369876728.db2.gz JIKHMHKOZHUIEI-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccn[nH]1 ZINC000620575611 369933748 /nfs/dbraw/zinc/93/37/48/369933748.db2.gz CNGPKNQRIQQIOA-VHSXEESVSA-N 0 1 221.304 2.203 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)Cc1ccn[nH]1 ZINC000620577160 369935723 /nfs/dbraw/zinc/93/57/23/369935723.db2.gz QFSJFJPJOYEZMO-CMPLNLGQSA-N 0 1 235.331 2.132 20 0 BEADMN CCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620767190 369995467 /nfs/dbraw/zinc/99/54/67/369995467.db2.gz XNIHDDRXWVLEGR-CQSZACIVSA-N 0 1 246.354 2.177 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000075841930 370173422 /nfs/dbraw/zinc/17/34/22/370173422.db2.gz NBUIYLHJGKRYEV-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000075841930 370173425 /nfs/dbraw/zinc/17/34/25/370173425.db2.gz NBUIYLHJGKRYEV-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000075841928 370174193 /nfs/dbraw/zinc/17/41/93/370174193.db2.gz NBUIYLHJGKRYEV-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000075841928 370174196 /nfs/dbraw/zinc/17/41/96/370174196.db2.gz NBUIYLHJGKRYEV-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CN(C)c1cccc(CN2CCOCC2(C)C)c1 ZINC000075648464 370155363 /nfs/dbraw/zinc/15/53/63/370155363.db2.gz XVYSDGIBKPNNMC-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN C[C@H](O)CN(Cc1cncc(Cl)c1)C1CC1 ZINC000621313425 370238721 /nfs/dbraw/zinc/23/87/21/370238721.db2.gz HKXVDVKFDXEYMN-VIFPVBQESA-N 0 1 240.734 2.080 20 0 BEADMN Cc1cc(CN(C)CCOCC2CC2)ccn1 ZINC000621262726 370194751 /nfs/dbraw/zinc/19/47/51/370194751.db2.gz MKNITMSXFZNPIL-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CCCCOCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000310130236 370305288 /nfs/dbraw/zinc/30/52/88/370305288.db2.gz XYOKGNJKDKOKPT-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000158570370 326328647 /nfs/dbraw/zinc/32/86/47/326328647.db2.gz UQGFUBPHJPPTAJ-BLLLJJGKSA-N 0 1 239.384 2.194 20 0 BEADMN CC1(C)CC[C@@H](CO)N(Cc2cncs2)C1 ZINC000621382254 370325876 /nfs/dbraw/zinc/32/58/76/370325876.db2.gz OMRBOJWLXYIPPF-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H](CO)CN[C@H](C(F)F)C1CCCCC1 ZINC000621402321 370340606 /nfs/dbraw/zinc/34/06/06/370340606.db2.gz ZOAADLNDLZZXHB-KOLCDFICSA-N 0 1 235.318 2.418 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC2CC(C)C2)cc1 ZINC000621676448 370428234 /nfs/dbraw/zinc/42/82/34/370428234.db2.gz NHFTWHNQFPIJEV-ORHYLEIMSA-N 0 1 246.354 2.157 20 0 BEADMN CC[C@@H]1CN(Cc2nccnc2C)CCS1 ZINC000621717040 370465943 /nfs/dbraw/zinc/46/59/43/370465943.db2.gz VDLIKKDOOIUUIF-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1nccnc1CN1CCS[C@@H](C)[C@H]1C ZINC000621717087 370466705 /nfs/dbraw/zinc/46/67/05/370466705.db2.gz WKSROGOTXUVROC-MNOVXSKESA-N 0 1 237.372 2.111 20 0 BEADMN CCOc1cncc(CN2CC[C@H]2CC)c1 ZINC000621729108 370482196 /nfs/dbraw/zinc/48/21/96/370482196.db2.gz JEKGSPQOZIRKOR-GFCCVEGCSA-N 0 1 220.316 2.465 20 0 BEADMN C=Cn1cc(CN2CC(CC3CC3)C2)cn1 ZINC000621740544 370499279 /nfs/dbraw/zinc/49/92/79/370499279.db2.gz VXRDGSZOCUJNRP-UHFFFAOYSA-N 0 1 217.316 2.216 20 0 BEADMN C[C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC000621938467 370610287 /nfs/dbraw/zinc/61/02/87/370610287.db2.gz BQQLIFMIDCMNSQ-WDEREUQCSA-N 0 1 249.358 2.192 20 0 BEADMN Cc1ccc(CCNCc2ncnn2C(C)C)o1 ZINC000631041817 371005800 /nfs/dbraw/zinc/00/58/00/371005800.db2.gz SZAFPPHHQQFOQT-UHFFFAOYSA-N 0 1 248.330 2.093 20 0 BEADMN CCOCCN[C@H]1CCCc2scnc21 ZINC000623866063 371132229 /nfs/dbraw/zinc/13/22/29/371132229.db2.gz JVBVNYZXZOXVTD-VIFPVBQESA-N 0 1 226.345 2.147 20 0 BEADMN CCC[C@H](O)CN[C@@H]1CCCc2scnc21 ZINC000623893008 371143254 /nfs/dbraw/zinc/14/32/54/371143254.db2.gz CCOOBXSSNCUYJX-VHSXEESVSA-N 0 1 240.372 2.271 20 0 BEADMN CC(C)(CO)CN[C@@H]1CCCc2scnc21 ZINC000623922229 371156814 /nfs/dbraw/zinc/15/68/14/371156814.db2.gz UKNICGAPTCXKPY-SECBINFHSA-N 0 1 240.372 2.129 20 0 BEADMN Cc1csc([C@@H](C)N[C@H](CO)CC2CC2)n1 ZINC000623924605 371157313 /nfs/dbraw/zinc/15/73/13/371157313.db2.gz HSMMYNRMUWYLHQ-KOLCDFICSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@H]1CCCCO1 ZINC000623923769 371157996 /nfs/dbraw/zinc/15/79/96/371157996.db2.gz KTOVFMZUYXTDPR-ZWNOBZJWSA-N 0 1 238.306 2.268 20 0 BEADMN C[C@H](N[C@H]1CCCc2scnc21)C(C)(C)O ZINC000623933754 371163246 /nfs/dbraw/zinc/16/32/46/371163246.db2.gz QCYPLNNOCBGXIS-IUCAKERBSA-N 0 1 240.372 2.270 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC(C)C ZINC000623952678 371176527 /nfs/dbraw/zinc/17/65/27/371176527.db2.gz GPVGFPIWRHEMGJ-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN C/C=C\C[C@H](CO)N[C@@H](C)c1nc(C)cs1 ZINC000623962891 371200188 /nfs/dbraw/zinc/20/01/88/371200188.db2.gz RPBQWKNWMBEOKV-NRFYAWERSA-N 0 1 240.372 2.429 20 0 BEADMN CO[C@@H](C)CN[C@H]1CCCc2scnc21 ZINC000623967417 371203921 /nfs/dbraw/zinc/20/39/21/371203921.db2.gz YZZQHYDNHAWGRC-IUCAKERBSA-N 0 1 226.345 2.145 20 0 BEADMN Cc1csc([C@@H](C)NC[C@@H](O)C2CCC2)n1 ZINC000623997229 371228977 /nfs/dbraw/zinc/22/89/77/371228977.db2.gz FZPLOZAHZUBADQ-MWLCHTKSSA-N 0 1 240.372 2.263 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1ccn(C)n1)OCC ZINC000624050658 371276484 /nfs/dbraw/zinc/27/64/84/371276484.db2.gz FGPUDLALZALRRU-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CCC(F)(F)CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000624147622 371341887 /nfs/dbraw/zinc/34/18/87/371341887.db2.gz GMSLGFYXPVDDDF-GXSJLCMTSA-N 0 1 232.318 2.104 20 0 BEADMN CCC(F)(F)CN[C@@H](C)C1CCOCC1 ZINC000624147551 371341918 /nfs/dbraw/zinc/34/19/18/371341918.db2.gz DKXDUVVPINAHIN-VIFPVBQESA-N 0 1 221.291 2.436 20 0 BEADMN CCC(F)(F)CN[C@H](C)CCCCO ZINC000624148706 371345731 /nfs/dbraw/zinc/34/57/31/371345731.db2.gz LRWXSYSGYAAVBR-SECBINFHSA-N 0 1 209.280 2.172 20 0 BEADMN C/C=C/CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000624199335 371390026 /nfs/dbraw/zinc/39/00/26/371390026.db2.gz MHGJGPRWVPCERD-UFFNRZRYSA-N 0 1 219.332 2.446 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000624222838 371410866 /nfs/dbraw/zinc/41/08/66/371410866.db2.gz HHCFWKABNGQDLM-DRZSPHRISA-N 0 1 247.342 2.003 20 0 BEADMN CO[C@H]1C[C@H](N[C@H](C)c2csc(C)n2)C1 ZINC000624299234 371465889 /nfs/dbraw/zinc/46/58/89/371465889.db2.gz HHDFEENXYQCECY-SZEHBUNVSA-N 0 1 226.345 2.280 20 0 BEADMN CO[C@H]1C[C@H](N[C@H](C)c2cc3n(n2)CCCC3)C1 ZINC000624300403 371466884 /nfs/dbraw/zinc/46/68/84/371466884.db2.gz FXPOZVKFQSYRLQ-NQBHXWOUSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H]1CCC[C@@H]1CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369734 371588702 /nfs/dbraw/zinc/58/87/02/371588702.db2.gz BKGHDRCUANAILV-GHMZBOCLSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@]1(C(=O)N2CCc3nc[nH]c3C2)CC=CCC1 ZINC000627373316 371590900 /nfs/dbraw/zinc/59/09/00/371590900.db2.gz NVJKNFXTCKUTOX-CQSZACIVSA-N 0 1 245.326 2.041 20 0 BEADMN CCCC(C)(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627374580 371592091 /nfs/dbraw/zinc/59/20/91/371592091.db2.gz XKZAEGXACFZSCZ-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN Cc1ccoc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000304359588 371783153 /nfs/dbraw/zinc/78/31/53/371783153.db2.gz HVIAGZIGJPHYFA-GHMZBOCLSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1ncccc1CNCc1cccnc1 ZINC000163847072 372067259 /nfs/dbraw/zinc/06/72/59/372067259.db2.gz SJDCGTZIJPMOSB-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN COc1cncc(CNCc2ccn(C)c2)c1C ZINC000631084276 372079276 /nfs/dbraw/zinc/07/92/76/372079276.db2.gz VWRPWCMAMAJHEY-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN C[C@H]1CC(N2CCCC(=O)C2)C[C@H](C)C1 ZINC000134210842 372180966 /nfs/dbraw/zinc/18/09/66/372180966.db2.gz SOUNGPLCLPETIZ-GHMZBOCLSA-N 0 1 209.333 2.476 20 0 BEADMN CCc1nn(C)c(CC)c1CNCC(C)(C)F ZINC000631189707 372224354 /nfs/dbraw/zinc/22/43/54/372224354.db2.gz RKYDOAFFNMJTIY-UHFFFAOYSA-N 0 1 241.354 2.383 20 0 BEADMN CC(C)(F)CNCc1cc(-c2cccnc2)n[nH]1 ZINC000631189734 372224940 /nfs/dbraw/zinc/22/49/40/372224940.db2.gz SMMMTKJHQXBOGY-UHFFFAOYSA-N 0 1 248.305 2.309 20 0 BEADMN CC(C)(F)CNCc1cccc2c1OCO2 ZINC000631189378 372224967 /nfs/dbraw/zinc/22/49/67/372224967.db2.gz BBWKVJPFQBRFKU-UHFFFAOYSA-N 0 1 225.263 2.253 20 0 BEADMN CC(C)(F)CNCc1cnn(C(C)(C)C)c1 ZINC000631190139 372224987 /nfs/dbraw/zinc/22/49/87/372224987.db2.gz YATDKGDRXQBPBV-UHFFFAOYSA-N 0 1 227.327 2.476 20 0 BEADMN Cc1cn[nH]c1CNCc1cccc(F)c1F ZINC000631207058 372237149 /nfs/dbraw/zinc/23/71/49/372237149.db2.gz RVAPPPPIFJIVDK-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN CCc1cc(C)nc(N(C)Cc2cn[nH]c2C)n1 ZINC000631322653 372294316 /nfs/dbraw/zinc/29/43/16/372294316.db2.gz HEKNYCOAEWSKPK-UHFFFAOYSA-N 0 1 245.330 2.015 20 0 BEADMN CC(C)n1ncnc1CN[C@]12C[C@H]1CCCC2 ZINC000631226957 372249127 /nfs/dbraw/zinc/24/91/27/372249127.db2.gz ORRJOBCLODMBGT-DGCLKSJQSA-N 0 1 234.347 2.281 20 0 BEADMN Cc1ccc(CNCc2cnccc2N(C)C)o1 ZINC000631244164 372257494 /nfs/dbraw/zinc/25/74/94/372257494.db2.gz YTEPLHWSSQYPOR-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN C=Cn1cc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000631261637 372267515 /nfs/dbraw/zinc/26/75/15/372267515.db2.gz ZZFRWOUYWDMSMM-RKDXNWHRSA-N 0 1 231.221 2.024 20 0 BEADMN CCCn1nccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262803 372268601 /nfs/dbraw/zinc/26/86/01/372268601.db2.gz UYZAOCXEHJDZMS-NXEZZACHSA-N 0 1 247.264 2.334 20 0 BEADMN CCC[C@H](NC/C=C\CO)c1cc(C)ccn1 ZINC000631645863 372479306 /nfs/dbraw/zinc/47/93/06/372479306.db2.gz BOVSMQUPVUUJJB-ZFDPJTLLSA-N 0 1 234.343 2.369 20 0 BEADMN c1cc(CN[C@H](C2CCC2)[C@H]2CCCO2)no1 ZINC000631586030 372443178 /nfs/dbraw/zinc/44/31/78/372443178.db2.gz WVWDZVXKPFXFBJ-CHWSQXEVSA-N 0 1 236.315 2.112 20 0 BEADMN CCC[C@H](CCO)N[C@@H](C)c1cscn1 ZINC000631670116 372495982 /nfs/dbraw/zinc/49/59/82/372495982.db2.gz TYPDYXSNXGQJHK-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000631754829 372558770 /nfs/dbraw/zinc/55/87/70/372558770.db2.gz RMRJSRINWNYGCR-KXUCPTDWSA-N 0 1 247.264 2.412 20 0 BEADMN CC[C@@H](CC(=O)NCCN1CCC1)C(C)(C)C ZINC000632061248 372742409 /nfs/dbraw/zinc/74/24/09/372742409.db2.gz LFKKIBHAQJVBDE-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCC2(C1)CCCCC2 ZINC000174238410 182052258 /nfs/dbraw/zinc/05/22/58/182052258.db2.gz WPFXQAMGSDWWKG-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN Cc1ccccc1[C@H](C)N1C[C@H](C)O[C@H](CO)C1 ZINC000190103738 259562550 /nfs/dbraw/zinc/56/25/50/259562550.db2.gz JFQHEJJOCICYBI-IHRRRGAJSA-N 0 1 249.354 2.138 20 0 BEADMN c1nc(CNCCCOCC2CC2)cs1 ZINC000040421221 373260255 /nfs/dbraw/zinc/26/02/55/373260255.db2.gz KRMHZCJJVONTQZ-UHFFFAOYSA-N 0 1 226.345 2.049 20 0 BEADMN O=C(NC1CCCC1)c1[nH]nc2c1CCCCC2 ZINC000189881427 182111882 /nfs/dbraw/zinc/11/18/82/182111882.db2.gz ZBUQJNLQOAAARF-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN O=C(NCC1CCCC1)c1n[nH]c2ccccc21 ZINC000043845462 182146926 /nfs/dbraw/zinc/14/69/26/182146926.db2.gz RYXBNJYIMVYEEB-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN O=C(NCCC1CC1)c1cc(F)cc2nc[nH]c21 ZINC000081020549 182154411 /nfs/dbraw/zinc/15/44/11/182154411.db2.gz INBXBZSCWKNJMV-UHFFFAOYSA-N 0 1 247.273 2.232 20 0 BEADMN CCN(CC)CC(=O)Nc1ccsc1C ZINC000634213706 374030700 /nfs/dbraw/zinc/03/07/00/374030700.db2.gz OEJPVDZFVPHERN-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN Cc1ccc(NC(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000070076566 374119270 /nfs/dbraw/zinc/11/92/70/374119270.db2.gz UBJUGQMNGLUCDU-TXEJJXNPSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)[C@H]1CCCCN1C ZINC000634368105 374213329 /nfs/dbraw/zinc/21/33/29/374213329.db2.gz XQVFQEHOIDYMTP-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)[C@H]1CCCCN1C ZINC000634368104 374213521 /nfs/dbraw/zinc/21/35/21/374213521.db2.gz XQVFQEHOIDYMTP-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(OCCc2ccnn2C)cc(C)n1 ZINC000634545872 374300397 /nfs/dbraw/zinc/30/03/97/374300397.db2.gz KNWBAMZGASUHGH-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN NC1(c2noc([C@H]3CCCC34CC4)n2)CCC1 ZINC000634555968 374313167 /nfs/dbraw/zinc/31/31/67/374313167.db2.gz AMROEODZECLJRA-SECBINFHSA-N 0 1 233.315 2.455 20 0 BEADMN CC(C)=CCCNCc1cn(C(C)(C)C)nn1 ZINC000276662877 206027528 /nfs/dbraw/zinc/02/75/28/206027528.db2.gz WSHSSRGCJYJPJV-UHFFFAOYSA-N 0 1 236.363 2.479 20 0 BEADMN O=C(NOC1CCCC1)c1n[nH]c2ccccc21 ZINC000135132694 182281663 /nfs/dbraw/zinc/28/16/63/182281663.db2.gz HQEFRYPWCNOWGV-UHFFFAOYSA-N 0 1 245.282 2.167 20 0 BEADMN CC1(C)CCC(CN2CCc3nn[nH]c3C2)CC1 ZINC000429299361 206060615 /nfs/dbraw/zinc/06/06/15/206060615.db2.gz YDQFLSLWCNKRBS-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN CCO[C@H](CNCc1cc[nH]n1)c1ccccc1 ZINC000194463917 206091424 /nfs/dbraw/zinc/09/14/24/206091424.db2.gz URMRBBJQQAGYBO-CQSZACIVSA-N 0 1 245.326 2.277 20 0 BEADMN CC[C@@H](F)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000440484204 206077097 /nfs/dbraw/zinc/07/70/97/206077097.db2.gz FSZCTKLJVJHZEF-VXGBXAGGSA-N 0 1 248.305 2.232 20 0 BEADMN CC(C)n1nccc1CN1CC[C@@H]1C1CC1 ZINC000449425879 206097127 /nfs/dbraw/zinc/09/71/27/206097127.db2.gz JEISJOOOACWTCB-CYBMUJFWSA-N 0 1 219.332 2.448 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@@H]1CCCc2[nH]cnc21 ZINC000370491142 182326906 /nfs/dbraw/zinc/32/69/06/182326906.db2.gz KNIZKYXNVQJEGU-WDEREUQCSA-N 0 1 245.326 2.055 20 0 BEADMN CCCCC[S@@](=O)Cc1n[nH]c(C2CC2)n1 ZINC000194624566 206100360 /nfs/dbraw/zinc/10/03/60/206100360.db2.gz GUEGYYJRPVOVLN-MRXNPFEDSA-N 0 1 241.360 2.121 20 0 BEADMN O=C(Nc1ccsn1)c1cccc2[nH]ncc21 ZINC001643372731 1172458930 /nfs/dbraw/zinc/45/89/30/1172458930.db2.gz YUEKGZUNNZAGOR-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC1(C[N@H+]2CCC=C(c3cccnc3)C2)COC1 ZINC000451026278 206106140 /nfs/dbraw/zinc/10/61/40/206106140.db2.gz SPSDYBSJFXUZKJ-UHFFFAOYSA-N 0 1 244.338 2.207 20 0 BEADMN CO[C@H](C)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451025342 206106925 /nfs/dbraw/zinc/10/69/25/206106925.db2.gz KDZKCRKKGOTEID-GFCCVEGCSA-N 0 1 232.327 2.206 20 0 BEADMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)C1=CCCCCC1 ZINC000336558734 182334238 /nfs/dbraw/zinc/33/42/38/182334238.db2.gz OOIOCIVCHHKNKE-ZDUSSCGKSA-N 0 1 248.370 2.230 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cccs1 ZINC000268907443 182334877 /nfs/dbraw/zinc/33/48/77/182334877.db2.gz AMADSUURPPOJNZ-VIFPVBQESA-N 0 1 247.323 2.279 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc2cc[nH]c2c1)N(C)C ZINC000194847584 206111671 /nfs/dbraw/zinc/11/16/71/206111671.db2.gz QGIZBNNFEZOCAG-ZDUSSCGKSA-N 0 1 245.326 2.447 20 0 BEADMN c1[nH]nnc1CSc1ncnc2ccccc21 ZINC001643434081 1172465318 /nfs/dbraw/zinc/46/53/18/1172465318.db2.gz NCMUVAFMNXAARB-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599771 182439579 /nfs/dbraw/zinc/43/95/79/182439579.db2.gz SOEUAIKLBRDROQ-CYBMUJFWSA-N 0 1 233.311 2.341 20 0 BEADMN Fc1cccc(SCc2c[nH]nn2)c1 ZINC001643749113 1172492758 /nfs/dbraw/zinc/49/27/58/1172492758.db2.gz AXCJXIQLPOBVKZ-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN OC1(CCN2CCCC[C@H]2c2cc[nH]n2)CCC1 ZINC000333115525 183015230 /nfs/dbraw/zinc/01/52/30/183015230.db2.gz HFGLVPKGQDKQNO-ZDUSSCGKSA-N 0 1 249.358 2.242 20 0 BEADMN OCCCCCN1CCO[C@H](c2ccccc2)C1 ZINC000263750894 183045646 /nfs/dbraw/zinc/04/56/46/183045646.db2.gz JXUISKFEMXJAEE-HNNXBMFYSA-N 0 1 249.354 2.223 20 0 BEADMN OCCN(Cc1cccc(F)c1F)C1CCC1 ZINC000221177827 183070529 /nfs/dbraw/zinc/07/05/29/183070529.db2.gz GXXOMQQVHZLBIR-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN OCC[C@H](NCc1ccon1)C1CCCCC1 ZINC000183720687 183096445 /nfs/dbraw/zinc/09/64/45/183096445.db2.gz YGSCWZRGRIUHNA-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN OCCN(Cc1ccccc1)Cc1ccccn1 ZINC000027827955 183069275 /nfs/dbraw/zinc/06/92/75/183069275.db2.gz VESUWRNZYYFPKA-UHFFFAOYSA-N 0 1 242.322 2.076 20 0 BEADMN CCCC[C@H](COC)NCc1cc(C)no1 ZINC000125619732 169004728 /nfs/dbraw/zinc/00/47/28/169004728.db2.gz WDSPSMHTJSEYSI-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN OC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000127942479 183117474 /nfs/dbraw/zinc/11/74/74/183117474.db2.gz DQRULOXCALNZFY-SNVBAGLBSA-N 0 1 241.281 2.169 20 0 BEADMN OC[C@@H]1CCCN1Cc1ccc(F)c(Cl)c1 ZINC000092455706 183119937 /nfs/dbraw/zinc/11/99/37/183119937.db2.gz DFNVBIKFNFGCND-JTQLQIEISA-N 0 1 243.709 2.436 20 0 BEADMN OC[C@@H](CC1CCCC1)NCc1cscn1 ZINC000309517544 183104374 /nfs/dbraw/zinc/10/43/74/183104374.db2.gz AJNPZXOXSJVRFC-LLVKDONJSA-N 0 1 240.372 2.174 20 0 BEADMN OC[C@@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000051887311 183124165 /nfs/dbraw/zinc/12/41/65/183124165.db2.gz BONYEXIKWOIJQR-SNVBAGLBSA-N 0 1 248.351 2.111 20 0 BEADMN OC[C@H]1CCCN1Cc1cccc(O)c1Cl ZINC000294915973 183150680 /nfs/dbraw/zinc/15/06/80/183150680.db2.gz NSBHVXVZMNWCEU-SNVBAGLBSA-N 0 1 241.718 2.002 20 0 BEADMN OC[C@]1(F)CCCN(CCc2ccccc2)C1 ZINC000287173974 183157272 /nfs/dbraw/zinc/15/72/72/183157272.db2.gz ZSLZBLCBEPUGAC-AWEZNQCLSA-N 0 1 237.318 2.026 20 0 BEADMN OCc1ccc(CNc2ccc3c(n2)CCC3)o1 ZINC000294850774 183165516 /nfs/dbraw/zinc/16/55/16/183165516.db2.gz NLSCUCIZPOXFNO-UHFFFAOYSA-N 0 1 244.294 2.268 20 0 BEADMN CCCN(C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000359313508 169068797 /nfs/dbraw/zinc/06/87/97/169068797.db2.gz BGVIICPPCISDQM-LBPRGKRZSA-N 0 1 246.354 2.479 20 0 BEADMN O[C@@H]1CCN(Cc2nccs2)C12CCCC2 ZINC000292902341 183200020 /nfs/dbraw/zinc/20/00/20/183200020.db2.gz ZQWVXVFBFDIGKI-SNVBAGLBSA-N 0 1 238.356 2.023 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(Cl)ccn1 ZINC000355595998 169075216 /nfs/dbraw/zinc/07/52/16/169075216.db2.gz JOQOZBBBNHPYRF-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc2[nH]ccc21 ZINC000359261060 169075356 /nfs/dbraw/zinc/07/53/56/169075356.db2.gz JMUBFEDDXPUESA-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCCN(C)CC(=O)Nc1ccsc1 ZINC000355584417 169075907 /nfs/dbraw/zinc/07/59/07/169075907.db2.gz KEMCJEYLQDGBHI-UHFFFAOYSA-N 0 1 212.318 2.028 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000032011677 169081903 /nfs/dbraw/zinc/08/19/03/169081903.db2.gz ZBRNVZRTJVYWBB-UHFFFAOYSA-N 0 1 207.273 2.227 20 0 BEADMN O[C@H](CN[C@@H]1CCCc2occc21)C(F)(F)F ZINC000219258218 183225619 /nfs/dbraw/zinc/22/56/19/183225619.db2.gz FYLHNZVDWYIRQO-PSASIEDQSA-N 0 1 249.232 2.170 20 0 BEADMN CCCN(C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271211444 169086308 /nfs/dbraw/zinc/08/63/08/169086308.db2.gz HRNYSKPKZUCLBC-JTQLQIEISA-N 0 1 245.326 2.476 20 0 BEADMN CCCN(CC(=O)NC)Cc1sccc1C ZINC000092381815 169096544 /nfs/dbraw/zinc/09/65/44/169096544.db2.gz LPTSPKSRFHFNHU-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000083662991 169098362 /nfs/dbraw/zinc/09/83/62/169098362.db2.gz GVDGAMJTSQBBID-ZDUSSCGKSA-N 0 1 233.311 2.471 20 0 BEADMN CCCN(CC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268123785 169116192 /nfs/dbraw/zinc/11/61/92/169116192.db2.gz CEZRDVRSODTEBU-JTQLQIEISA-N 0 1 235.331 2.088 20 0 BEADMN CCCN(CC(C)C)C(=O)c1cc(C)[nH]n1 ZINC000298798604 169105412 /nfs/dbraw/zinc/10/54/12/169105412.db2.gz VFNRVHAIVRMSHY-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN CCCN(CCC)Cc1cc(COC)on1 ZINC000297646826 169148840 /nfs/dbraw/zinc/14/88/40/169148840.db2.gz IRBOZLBEEHYCBD-UHFFFAOYSA-N 0 1 226.320 2.443 20 0 BEADMN CCCN(CC)Cc1cn(C(C)(C)C)nn1 ZINC000361509632 169128636 /nfs/dbraw/zinc/12/86/36/169128636.db2.gz CWUVSSFOGFDSCI-UHFFFAOYSA-N 0 1 224.352 2.265 20 0 BEADMN Oc1ccc(F)c(CN[C@@H]2CCSC2)c1F ZINC000293634653 183272802 /nfs/dbraw/zinc/27/28/02/183272802.db2.gz NJUDXSPPYCIEIE-SSDOTTSWSA-N 0 1 245.294 2.266 20 0 BEADMN CCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181556080 169205363 /nfs/dbraw/zinc/20/53/63/169205363.db2.gz DNQWVEBVQTXRNI-AWEZNQCLSA-N 0 1 219.328 2.340 20 0 BEADMN CCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181556080 169205366 /nfs/dbraw/zinc/20/53/66/169205366.db2.gz DNQWVEBVQTXRNI-AWEZNQCLSA-N 0 1 219.328 2.340 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cc(C)ccn1 ZINC000124300692 169200730 /nfs/dbraw/zinc/20/07/30/169200730.db2.gz QTNKNCSYFCNMLM-LBPRGKRZSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000359945841 169201852 /nfs/dbraw/zinc/20/18/52/169201852.db2.gz HGXPOLNETREXKG-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN CCCNC(=O)CNCc1ccc(C(C)C)cc1 ZINC000035134129 169227027 /nfs/dbraw/zinc/22/70/27/169227027.db2.gz ARGBWRYBSGYDPO-UHFFFAOYSA-N 0 1 248.370 2.426 20 0 BEADMN c1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000377834376 183342399 /nfs/dbraw/zinc/34/23/99/183342399.db2.gz LCGOYSWKEITMFY-STQMWFEESA-N 0 1 249.358 2.048 20 0 BEADMN c1cc(CN2CCS[C@H]3CCCC[C@@H]32)n[nH]1 ZINC000093690428 183346543 /nfs/dbraw/zinc/34/65/43/183346543.db2.gz IOIBYNYRZHZSHD-RYUDHWBXSA-N 0 1 237.372 2.270 20 0 BEADMN CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000370223390 169245381 /nfs/dbraw/zinc/24/53/81/169245381.db2.gz CHNDJCLUYUIMBR-SNVBAGLBSA-N 0 1 249.358 2.164 20 0 BEADMN CCCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339229249 169248187 /nfs/dbraw/zinc/24/81/87/169248187.db2.gz GJVHZYZNNGOSPO-AWEZNQCLSA-N 0 1 248.370 2.423 20 0 BEADMN c1cc(CN2CCC[C@@H](c3ccncc3)C2)n[nH]1 ZINC000296001390 183361130 /nfs/dbraw/zinc/36/11/30/183361130.db2.gz PVBNUDDCJNMYII-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154235637 183398714 /nfs/dbraw/zinc/39/87/14/183398714.db2.gz FSKNEKLFWPNVIN-UHFFFAOYSA-N 0 1 217.312 2.442 20 0 BEADMN c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000154235637 183398716 /nfs/dbraw/zinc/39/87/16/183398716.db2.gz FSKNEKLFWPNVIN-UHFFFAOYSA-N 0 1 217.312 2.442 20 0 BEADMN c1ncc(CNCc2ccccc2)s1 ZINC000097150289 183404866 /nfs/dbraw/zinc/40/48/66/183404866.db2.gz CLKFVCVNPULACL-UHFFFAOYSA-N 0 1 204.298 2.433 20 0 BEADMN c1nc(CNCCCCNc2ccccn2)co1 ZINC000192305686 183415813 /nfs/dbraw/zinc/41/58/13/183415813.db2.gz CPDHKNKMDMXTNM-UHFFFAOYSA-N 0 1 246.314 2.052 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC2CCC1CC2 ZINC000371394147 169298766 /nfs/dbraw/zinc/29/87/66/169298766.db2.gz XHLWTHXUGTXWQY-VOMCLLRMSA-N 0 1 225.332 2.203 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000378327417 169299009 /nfs/dbraw/zinc/29/90/09/169299009.db2.gz RPMCVMKJKWXTGL-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCCOCc1nc([C@H](N)CC(C)C)no1 ZINC000339388805 169311150 /nfs/dbraw/zinc/31/11/50/169311150.db2.gz AWNGQVMOEQAHMO-SECBINFHSA-N 0 1 227.308 2.042 20 0 BEADMN CCC[C@@H](C)CC(=O)NCCN1CC=CCC1 ZINC000355369762 169356055 /nfs/dbraw/zinc/35/60/55/169356055.db2.gz XSCUFJHSHPDGRQ-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN CCC[C@@H](C)c1nc(C2(N)CCC2)no1 ZINC000336733771 169374097 /nfs/dbraw/zinc/37/40/97/169374097.db2.gz GUYLQORYSVETHD-MRVPVSSYSA-N 0 1 209.293 2.311 20 0 BEADMN CCC[C@@H](CCO)CNCc1cscn1 ZINC000164958965 169383267 /nfs/dbraw/zinc/38/32/67/169383267.db2.gz ORVXEVJDWLZBNP-JTQLQIEISA-N 0 1 228.361 2.031 20 0 BEADMN CC1CCC(CN(C)Cc2nnc[nH]2)CC1 ZINC000179798942 134323706 /nfs/dbraw/zinc/32/37/06/134323706.db2.gz IBGVWIVSTUJUAV-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1ccc(Cl)c(O)c1 ZINC001644664451 1172584373 /nfs/dbraw/zinc/58/43/73/1172584373.db2.gz RQUQXZZRGQFYGN-SECBINFHSA-N 0 1 237.686 2.494 20 0 BEADMN CC(=O)CN(C)[C@H](C)Cc1ccsc1 ZINC001644749140 1172602568 /nfs/dbraw/zinc/60/25/68/1172602568.db2.gz LBBIEUJSLZXJKJ-SECBINFHSA-N 0 1 211.330 2.200 20 0 BEADMN C[C@@H]1CC[C@H](NCc2csnn2)[C@@H](C)C1 ZINC000226158368 134359621 /nfs/dbraw/zinc/35/96/21/134359621.db2.gz SJKWILAAJBAQQQ-YWVKMMECSA-N 0 1 225.361 2.452 20 0 BEADMN O=C(Nc1cnoc1)c1cc(Cl)ccc1O ZINC000060393523 1172613070 /nfs/dbraw/zinc/61/30/70/1172613070.db2.gz DEYGEPXXFDUSAC-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN CCC[C@H](C)CCCN1C[C@@H](CO)OC[C@H]1C ZINC001644897531 1172618256 /nfs/dbraw/zinc/61/82/56/1172618256.db2.gz QJALMPVMAYDJDU-MJBXVCDLSA-N 0 1 243.391 2.284 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nccs2)C12CCC2 ZINC000308340558 532964919 /nfs/dbraw/zinc/96/49/19/532964919.db2.gz IEDGIRMUVDXLMC-VHSXEESVSA-N 0 1 238.356 2.190 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOCC23CCC3)O1 ZINC000184663706 134367792 /nfs/dbraw/zinc/36/77/92/134367792.db2.gz VUAPDUIGSYTESV-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NCC1CCC1 ZINC000185589762 134381936 /nfs/dbraw/zinc/38/19/36/134381936.db2.gz KGPIPKSQWVDUAX-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN CN(CC1CCCCC1)c1ncnc2[nH]cnc21 ZINC000047510715 383826751 /nfs/dbraw/zinc/82/67/51/383826751.db2.gz USHXSPJVTYQCLK-UHFFFAOYSA-N 0 1 245.330 2.369 20 0 BEADMN CCc1nc(-c2nc([C@H]3CCCN3)no2)c(C)o1 ZINC000647144872 383836721 /nfs/dbraw/zinc/83/67/21/383836721.db2.gz HVSHKDUGMHSLJX-MRVPVSSYSA-N 0 1 248.286 2.020 20 0 BEADMN Fc1cccc(Cl)c1CN[C@@H]1CCOC1 ZINC000087416042 383838352 /nfs/dbraw/zinc/83/83/52/383838352.db2.gz YEFPFWXKXJRKGX-MRVPVSSYSA-N 0 1 229.682 2.358 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647144917 383839505 /nfs/dbraw/zinc/83/95/05/383839505.db2.gz JBGSXEZJNILPRB-QYNIQEEDSA-N 0 1 247.220 2.160 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647144916 383839854 /nfs/dbraw/zinc/83/98/54/383839854.db2.gz JBGSXEZJNILPRB-FSDSQADBSA-N 0 1 247.220 2.160 20 0 BEADMN C(=C/c1nc([C@@H]2CCCN2)no1)\c1cncs1 ZINC000647145222 383843065 /nfs/dbraw/zinc/84/30/65/383843065.db2.gz QMNCOAGLROQRAN-NWALNABHSA-N 0 1 248.311 2.121 20 0 BEADMN CC(C)[C@@H](O)CN(C)Cc1ccccc1F ZINC000087538372 383849997 /nfs/dbraw/zinc/84/99/97/383849997.db2.gz SZJGDZRYADKVSX-ZDUSSCGKSA-N 0 1 225.307 2.274 20 0 BEADMN CC(C)[C@H](O)CN(C)Cc1ccccc1F ZINC000087538371 383850213 /nfs/dbraw/zinc/85/02/13/383850213.db2.gz SZJGDZRYADKVSX-CYBMUJFWSA-N 0 1 225.307 2.274 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647146159 383854433 /nfs/dbraw/zinc/85/44/33/383854433.db2.gz ODVYSTGYNRJKLE-GUBZILKMSA-N 0 1 221.304 2.254 20 0 BEADMN C1=C[C@H](Cc2nc([C@H]3CCCN3)no2)CCC1 ZINC000647146317 383854562 /nfs/dbraw/zinc/85/45/62/383854562.db2.gz RWZKRQHDRRZDCM-WDEREUQCSA-N 0 1 233.315 2.393 20 0 BEADMN CCC(CC)[C@H](O)CNCc1csc(C)n1 ZINC000111404772 383861884 /nfs/dbraw/zinc/86/18/84/383861884.db2.gz OCBMNEGWIMMUNW-GFCCVEGCSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000517738546 383871198 /nfs/dbraw/zinc/87/11/98/383871198.db2.gz OHJHAQSBKWVHOK-WPRPVWTQSA-N 0 1 236.319 2.268 20 0 BEADMN COCCC[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647146992 383873163 /nfs/dbraw/zinc/87/31/63/383873163.db2.gz HGDHLBOLWDCPMB-UWVGGRQHSA-N 0 1 239.319 2.024 20 0 BEADMN COCCC[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647146993 383874274 /nfs/dbraw/zinc/87/42/74/383874274.db2.gz HGDHLBOLWDCPMB-VHSXEESVSA-N 0 1 239.319 2.024 20 0 BEADMN Cc1nnc([C@@H](C)NCC2CCC2)s1 ZINC000308644264 383876956 /nfs/dbraw/zinc/87/69/56/383876956.db2.gz GRDAGRYCYDCPEM-SSDOTTSWSA-N 0 1 211.334 2.297 20 0 BEADMN CC[C@H](C)CCc1nc([C@H]2CCCN2)no1 ZINC000647144632 383832021 /nfs/dbraw/zinc/83/20/21/383832021.db2.gz CBYJXDUGCDQYIT-VHSXEESVSA-N 0 1 223.320 2.473 20 0 BEADMN CCc1ccnc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000647144346 383832505 /nfs/dbraw/zinc/83/25/05/383832505.db2.gz UWUYQVUMMOJEGS-SNVBAGLBSA-N 0 1 244.298 2.119 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCO2)sc1C ZINC000087375560 383834182 /nfs/dbraw/zinc/83/41/82/383834182.db2.gz WLPGMGGWKXEQPT-ONGXEEELSA-N 0 1 240.372 2.417 20 0 BEADMN CCc1nc(C)c(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000647144713 383835301 /nfs/dbraw/zinc/83/53/01/383835301.db2.gz DUGWQKMHJPMSKM-QMMMGPOBSA-N 0 1 248.286 2.020 20 0 BEADMN COC[C@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000088599651 383915958 /nfs/dbraw/zinc/91/59/58/383915958.db2.gz GZSHEFKUNGMGFM-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN Cn1nccc1CN[C@@H]1CCCc2occc21 ZINC000036901303 383917078 /nfs/dbraw/zinc/91/70/78/383917078.db2.gz FNMMLOJQBRSZTA-GFCCVEGCSA-N 0 1 231.299 2.180 20 0 BEADMN CCC(C)(C)Cc1nc([C@@H]2CCCN2)no1 ZINC000647150006 383919029 /nfs/dbraw/zinc/91/90/29/383919029.db2.gz XSCBLZVJHHFLQP-VIFPVBQESA-N 0 1 223.320 2.473 20 0 BEADMN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1nccn1C ZINC000348156516 383920473 /nfs/dbraw/zinc/92/04/73/383920473.db2.gz DDWIODWGZAECQT-CIUDSAMLSA-N 0 1 229.274 2.114 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)c1cccnc1 ZINC000647150504 383924376 /nfs/dbraw/zinc/92/43/76/383924376.db2.gz HNOKWXSVEFHQKH-ONGXEEELSA-N 0 1 244.298 2.041 20 0 BEADMN CCCCO[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647151702 383928095 /nfs/dbraw/zinc/92/80/95/383928095.db2.gz NBORXNGNZXWDCQ-VHSXEESVSA-N 0 1 239.319 2.372 20 0 BEADMN CCCCO[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647151700 383928877 /nfs/dbraw/zinc/92/88/77/383928877.db2.gz NBORXNGNZXWDCQ-NXEZZACHSA-N 0 1 239.319 2.372 20 0 BEADMN [O-]c1ccc(F)cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647147686 383883508 /nfs/dbraw/zinc/88/35/08/383883508.db2.gz XTDGNZSELQIVEJ-VIFPVBQESA-N 0 1 249.245 2.006 20 0 BEADMN C1[C@@H](c2nc([C@@H]3CCCN3)no2)C12CCC2 ZINC000647147964 383890283 /nfs/dbraw/zinc/89/02/83/383890283.db2.gz CCVHOIGYTDUZIR-IUCAKERBSA-N 0 1 219.288 2.152 20 0 BEADMN C[C@@H](c1ccco1)c1nc([C@H]2CCCN2)no1 ZINC000647148623 383896792 /nfs/dbraw/zinc/89/67/92/383896792.db2.gz SFQAJODTFAYJMN-DTWKUNHWSA-N 0 1 233.271 2.239 20 0 BEADMN Clc1ccccc1SCc1nn[nH]n1 ZINC000078265909 383904905 /nfs/dbraw/zinc/90/49/05/383904905.db2.gz VYYVGCKOIPWHRD-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN C[C@H](NCc1cccs1)C(=O)NC(C)(C)C ZINC000037467109 383978197 /nfs/dbraw/zinc/97/81/97/383978197.db2.gz RMZBERVGFLHEEX-VIFPVBQESA-N 0 1 240.372 2.141 20 0 BEADMN CC(C)c1cnc(N2CCN(C)C[C@H]2C)s1 ZINC000336483923 383992065 /nfs/dbraw/zinc/99/20/65/383992065.db2.gz LAODJYOHVVBUFH-SNVBAGLBSA-N 0 1 239.388 2.407 20 0 BEADMN CC[C@@H](CO)N(C)Cc1ccc(F)cc1F ZINC000293879764 383998984 /nfs/dbraw/zinc/99/89/84/383998984.db2.gz LVYGKKMFHNLFSR-NSHDSACASA-N 0 1 229.270 2.168 20 0 BEADMN CCc1cc(C(=O)N2CCCC(C)(C)C2)n[nH]1 ZINC000112686311 383942924 /nfs/dbraw/zinc/94/29/24/383942924.db2.gz RCKZNPWXQPABFP-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@H](NCC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000037207606 383957830 /nfs/dbraw/zinc/95/78/30/383957830.db2.gz BSULDOYCLOKGNB-VIFPVBQESA-N 0 1 240.734 2.079 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000363411257 383965854 /nfs/dbraw/zinc/96/58/54/383965854.db2.gz MSOAQJUSEBGDBC-LDYMZIIASA-N 0 1 242.282 2.066 20 0 BEADMN CCCCN(CC)CC(=O)OC(C)(C)C ZINC000070946394 383972740 /nfs/dbraw/zinc/97/27/40/383972740.db2.gz YYRBBWQEKVHLGC-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000037395217 383973004 /nfs/dbraw/zinc/97/30/04/383973004.db2.gz MTGFTFDVQHVOLR-UHFFFAOYSA-N 0 1 237.274 2.265 20 0 BEADMN CCSCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000345366117 383973373 /nfs/dbraw/zinc/97/33/73/383973373.db2.gz YXSQYDWMWPVUNJ-ZJUUUORDSA-N 0 1 225.361 2.232 20 0 BEADMN CC(C)c1cc(-c2nc([C@@H]3CCCN3)no2)n[nH]1 ZINC000647152633 383974661 /nfs/dbraw/zinc/97/46/61/383974661.db2.gz JYRJEHUESVUJQE-QMMMGPOBSA-N 0 1 247.302 2.008 20 0 BEADMN CC(C)C[C@H]1COCCN1CCc1ccncc1 ZINC000113942634 384016999 /nfs/dbraw/zinc/01/69/99/384016999.db2.gz YAVWUQZLPXZQBC-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN c1cc(CCc2nc([C@H]3CCCN3)no2)cs1 ZINC000647155258 384018938 /nfs/dbraw/zinc/01/89/38/384018938.db2.gz VITSSMXYDHRDRL-SNVBAGLBSA-N 0 1 249.339 2.341 20 0 BEADMN c1ccc(OCCN2CCOC[C@H]2C2CC2)cc1 ZINC000090007830 384020952 /nfs/dbraw/zinc/02/09/52/384020952.db2.gz DISLTBOTAILQRV-HNNXBMFYSA-N 0 1 247.338 2.176 20 0 BEADMN c1ccc(OCCN2CCOC[C@@H]2C2CC2)cc1 ZINC000090007829 384022109 /nfs/dbraw/zinc/02/21/09/384022109.db2.gz DISLTBOTAILQRV-OAHLLOKOSA-N 0 1 247.338 2.176 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000560274199 384030952 /nfs/dbraw/zinc/03/09/52/384030952.db2.gz FMWFJKOSVNSDPR-NEPJUHHUSA-N 0 1 249.358 2.041 20 0 BEADMN C(=C/c1cccnc1)\c1nc([C@@H]2CCCN2)no1 ZINC000647156644 384040894 /nfs/dbraw/zinc/04/08/94/384040894.db2.gz JZHKMGBSTOXDGR-QRGHLMKCSA-N 0 1 242.282 2.060 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2C[C@@]2(F)c2ccccc2)CO1 ZINC000647219203 384090072 /nfs/dbraw/zinc/09/00/72/384090072.db2.gz LJILREVZBCVUQV-VZZFWQQMSA-N 0 1 235.302 2.391 20 0 BEADMN Cc1ccc(CCNCc2cn(C(C)C)nn2)o1 ZINC000518606307 384067909 /nfs/dbraw/zinc/06/79/09/384067909.db2.gz JSIIOJLWZSOXLZ-UHFFFAOYSA-N 0 1 248.330 2.093 20 0 BEADMN O=C([O-])C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000077385307 384067992 /nfs/dbraw/zinc/06/79/92/384067992.db2.gz JIHUFRFPDRWYPK-JTQLQIEISA-N 0 1 239.702 2.214 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@H](C)C1 ZINC000077901351 384073705 /nfs/dbraw/zinc/07/37/05/384073705.db2.gz XVCYKPHNDAKWMJ-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](C[N@@H+](CC1CCCC1)C1CC1)C(=O)[O-] ZINC000569492892 384117835 /nfs/dbraw/zinc/11/78/35/384117835.db2.gz JYWFFAMPBKJKPX-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN CCN(CC(=O)OC)C[C@@H](C)CC(C)C ZINC000308743206 384108371 /nfs/dbraw/zinc/10/83/71/384108371.db2.gz MLRKCAIBFIUUPW-NSHDSACASA-N 0 1 215.337 2.164 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1cnccn1 ZINC000070479519 384113068 /nfs/dbraw/zinc/11/30/68/384113068.db2.gz LHMAFRUSMVCEFH-GFCCVEGCSA-N 0 1 243.310 2.206 20 0 BEADMN C[C@H](NCCOC1CCCCC1)c1cnccn1 ZINC000070479718 384113294 /nfs/dbraw/zinc/11/32/94/384113294.db2.gz DDXAZKGBAGGMAW-LBPRGKRZSA-N 0 1 249.358 2.477 20 0 BEADMN CC1(C)C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000070287293 384095245 /nfs/dbraw/zinc/09/52/45/384095245.db2.gz LRTKZLPBSCXXRU-SNVBAGLBSA-N 0 1 229.283 2.091 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccc(C)c(C)c1 ZINC000091950441 384156634 /nfs/dbraw/zinc/15/66/34/384156634.db2.gz OQXXFYNCSMHOFM-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN Cc1ccncc1CCCN1CC[C@@H](F)C1 ZINC000449392089 384157254 /nfs/dbraw/zinc/15/72/54/384157254.db2.gz IVBXBNMRMROMTF-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN CCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCC1 ZINC000336573890 384163588 /nfs/dbraw/zinc/16/35/88/384163588.db2.gz ORZAGZIOFVLVFW-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)C[C@H](C)O1 ZINC000092487100 384182031 /nfs/dbraw/zinc/18/20/31/384182031.db2.gz QHCCZLYKDSGDBH-WCQYABFASA-N 0 1 222.332 2.024 20 0 BEADMN C[C@H]1SCCN(Cc2ccccn2)[C@@H]1C ZINC000118533537 384201340 /nfs/dbraw/zinc/20/13/40/384201340.db2.gz JWVCMPUDKJJLIF-GHMZBOCLSA-N 0 1 222.357 2.407 20 0 BEADMN COC(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285725279 384206772 /nfs/dbraw/zinc/20/67/72/384206772.db2.gz PPUKIKLDGWPDKB-AAEUAGOBSA-N 0 1 233.311 2.243 20 0 BEADMN CCC[C@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000041298030 384187434 /nfs/dbraw/zinc/18/74/34/384187434.db2.gz KYFGPROZCVMRHG-AWEZNQCLSA-N 0 1 246.354 2.002 20 0 BEADMN CC[C@H](CC(=O)N1CCNCC1)c1ccccc1 ZINC000041298024 384187809 /nfs/dbraw/zinc/18/78/09/384187809.db2.gz YBDUINUWYLRQMM-CYBMUJFWSA-N 0 1 246.354 2.002 20 0 BEADMN CN(C)CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000117986653 384187961 /nfs/dbraw/zinc/18/79/61/384187961.db2.gz AOTBJIGDBNZYIP-OAHLLOKOSA-N 0 1 246.354 2.206 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2cscn2)C1(C)C ZINC000072926396 384237548 /nfs/dbraw/zinc/23/75/48/384237548.db2.gz YKQDSVOPGFRRFW-PWSUYJOCSA-N 0 1 240.372 2.436 20 0 BEADMN CC(C)c1ccc(C(=O)N2CC(N(C)C)C2)cc1 ZINC000158301793 384219770 /nfs/dbraw/zinc/21/97/70/384219770.db2.gz APNLZWCHGFIAEG-UHFFFAOYSA-N 0 1 246.354 2.196 20 0 BEADMN COC(C)(C)CNCc1c(F)cccc1F ZINC000133011380 384220179 /nfs/dbraw/zinc/22/01/79/384220179.db2.gz YMONTZSIQWUTQT-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN Cc1ccc(CN(C)CCOCC2CC2)o1 ZINC000158356268 384220811 /nfs/dbraw/zinc/22/08/11/384220811.db2.gz GEHWUWFZLZRXSR-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000336422354 384224421 /nfs/dbraw/zinc/22/44/21/384224421.db2.gz XPDFJSSFDIASPW-CHWSQXEVSA-N 0 1 249.358 2.250 20 0 BEADMN C[C@H]1SCCN(Cc2ccc(CO)o2)[C@@H]1C ZINC000093500995 384243720 /nfs/dbraw/zinc/24/37/20/384243720.db2.gz JVUFQMDIWWDCHL-NXEZZACHSA-N 0 1 241.356 2.098 20 0 BEADMN CC[C@H]1CN(Cc2c[nH]nc2C)CCS1 ZINC000093502437 384244859 /nfs/dbraw/zinc/24/48/59/384244859.db2.gz DCBWGRSPDPYPOX-NSHDSACASA-N 0 1 225.361 2.046 20 0 BEADMN Cc1nc(CCN2CCSCC2)cs1 ZINC000119185043 384244944 /nfs/dbraw/zinc/24/49/44/384244944.db2.gz CYZYJKXNEXVTGS-UHFFFAOYSA-N 0 1 228.386 2.043 20 0 BEADMN CC1(CNCc2csnn2)CCCC1 ZINC000082619113 384251214 /nfs/dbraw/zinc/25/12/14/384251214.db2.gz IQFAKYRCOTVECD-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN Cc1c(CN[C@@H]2CCCc3occc32)cnn1C ZINC000093649376 384258393 /nfs/dbraw/zinc/25/83/93/384258393.db2.gz BJNQBGXBFMXRMU-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1cnc(CN2CCC[C@@](C)(O)CC2)s1 ZINC000336625476 384263866 /nfs/dbraw/zinc/26/38/66/384263866.db2.gz JSXFYVPENPKCOE-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN CCN(C(=O)c1c(O)cccc1F)C1CC1 ZINC000119404176 384268249 /nfs/dbraw/zinc/26/82/49/384268249.db2.gz CULMHBCKQGPOPP-UHFFFAOYSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000289527839 384270598 /nfs/dbraw/zinc/27/05/98/384270598.db2.gz VVLMKTJRCLFXOX-SSDOTTSWSA-N 0 1 219.737 2.214 20 0 BEADMN CCOCCN(CC)[C@H](C)c1cnc(C)cn1 ZINC000428242759 384304911 /nfs/dbraw/zinc/30/49/11/384304911.db2.gz WNAXXTSJYIBEFG-GFCCVEGCSA-N 0 1 237.347 2.204 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426889148 384305342 /nfs/dbraw/zinc/30/53/42/384305342.db2.gz CXCSFJBXVHTBHY-YPMHNXCESA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)[nH]n1 ZINC000133812556 384313285 /nfs/dbraw/zinc/31/32/85/384313285.db2.gz MRSMGRWYDADUOA-GAFUQQFSSA-N 0 1 249.358 2.202 20 0 BEADMN C[C@@H](NCCc1nccs1)c1nccs1 ZINC000083143377 384283217 /nfs/dbraw/zinc/28/32/17/384283217.db2.gz PIISSHVCCQFACW-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN CC(C)c1nnc(CNC2CC(C(C)C)C2)[nH]1 ZINC000449406318 384286362 /nfs/dbraw/zinc/28/63/62/384286362.db2.gz WXJBOZCBZRBNMN-UHFFFAOYSA-N 0 1 236.363 2.452 20 0 BEADMN CC[C@H](COC)N[C@@H](C)c1cc(C)on1 ZINC000282489993 384294243 /nfs/dbraw/zinc/29/42/43/384294243.db2.gz HQRIEAVZZWEGMH-VHSXEESVSA-N 0 1 212.293 2.059 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000119705207 384296464 /nfs/dbraw/zinc/29/64/64/384296464.db2.gz SODFCSGQMHPLEK-WCQYABFASA-N 0 1 249.358 2.346 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1F ZINC000083406881 384297504 /nfs/dbraw/zinc/29/75/04/384297504.db2.gz WNXXPSPEDZKVJC-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ccccn1)[N@@H+](C)C1CC1 ZINC000159023249 384297756 /nfs/dbraw/zinc/29/77/56/384297756.db2.gz DVKMZPWOSJNCRG-RYUDHWBXSA-N 0 1 233.359 2.215 20 0 BEADMN C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)[O-] ZINC000083410268 384300990 /nfs/dbraw/zinc/30/09/90/384300990.db2.gz WIBCIGITURCLAL-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412405 384301438 /nfs/dbraw/zinc/30/14/38/384301438.db2.gz MZVJREQEINDEBS-GFCCVEGCSA-N 0 1 213.321 2.219 20 0 BEADMN CN(Cc1cc(Cl)cn1C)C[C@@H]1CCCO1 ZINC000120258897 384339859 /nfs/dbraw/zinc/33/98/59/384339859.db2.gz LXNGTEKTGCGYFE-LBPRGKRZSA-N 0 1 242.750 2.289 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000120276806 384345082 /nfs/dbraw/zinc/34/50/82/384345082.db2.gz HXYBRBSJAOPZGJ-NWDGAFQWSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H](C)c2ccco2)n[nH]1 ZINC000625605552 384347488 /nfs/dbraw/zinc/34/74/88/384347488.db2.gz IGOAOMCVRHKFNG-SECBINFHSA-N 0 1 247.298 2.121 20 0 BEADMN CS[C@@H]1CCCCN(Cc2ccon2)C1 ZINC000134543957 384365477 /nfs/dbraw/zinc/36/54/77/384365477.db2.gz PKUVIOKBHDSSPB-LLVKDONJSA-N 0 1 226.345 2.392 20 0 BEADMN COC(=O)c1coc(CN2CC[C@H]2C2CC2)c1 ZINC000449424511 384324270 /nfs/dbraw/zinc/32/42/70/384324270.db2.gz FAOYNENBXWPCAU-LBPRGKRZSA-N 0 1 235.283 2.051 20 0 BEADMN Cc1nccc(NC[C@H]2CC[C@@H](O)C2)c1Cl ZINC000335557895 384326831 /nfs/dbraw/zinc/32/68/31/384326831.db2.gz LQWPOHOBLPIHFD-VHSXEESVSA-N 0 1 240.734 2.038 20 0 BEADMN COCCNCc1c(Cl)cccc1OC ZINC000083774650 384327662 /nfs/dbraw/zinc/32/76/62/384327662.db2.gz HVYVMDBTALBQSG-UHFFFAOYSA-N 0 1 229.707 2.085 20 0 BEADMN FC1(F)CCC[C@H](CN2CCOCC2)C1 ZINC000309055514 384399165 /nfs/dbraw/zinc/39/91/65/384399165.db2.gz SPCBRYVPZIDMOF-JTQLQIEISA-N 0 1 219.275 2.144 20 0 BEADMN CCc1ccc(C(C)(C)NC(=O)CN(C)C)cc1 ZINC000135167198 384418540 /nfs/dbraw/zinc/41/85/40/384418540.db2.gz NGZSWSYWTRYQMV-UHFFFAOYSA-N 0 1 248.370 2.162 20 0 BEADMN Cc1ccc(CNCc2ccc(CO)o2)cc1 ZINC000077897718 384421100 /nfs/dbraw/zinc/42/11/00/384421100.db2.gz UNXMMLBIQKAFHU-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN CC(C)n1nccc1CN1CC(C2CC2)C1 ZINC000643345707 384423932 /nfs/dbraw/zinc/42/39/32/384423932.db2.gz HQSIAQAKRTWEDX-UHFFFAOYSA-N 0 1 219.332 2.306 20 0 BEADMN C[C@@H](NC[C@@H](C)c1ccccc1)c1ncn(C)n1 ZINC000275440758 384375129 /nfs/dbraw/zinc/37/51/29/384375129.db2.gz ADGLJHLRWWDVAV-VXGBXAGGSA-N 0 1 244.342 2.269 20 0 BEADMN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ncn(C)n1 ZINC000335608588 384383524 /nfs/dbraw/zinc/38/35/24/384383524.db2.gz VNHHCMYZHDCQBL-NXEZZACHSA-N 0 1 222.336 2.044 20 0 BEADMN O=C([O-])CC[N@H+]1CCCC2(CCCC2)C1 ZINC000335608428 384384490 /nfs/dbraw/zinc/38/44/90/384384490.db2.gz NDRNVSHPDYTFAJ-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN CN(Cc1nccc(N)n1)C1CCCCCC1 ZINC000121978063 384447954 /nfs/dbraw/zinc/44/79/54/384447954.db2.gz DNVFPLALRYRMDQ-UHFFFAOYSA-N 0 1 234.347 2.213 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000135477370 384448914 /nfs/dbraw/zinc/44/89/14/384448914.db2.gz GZIDYTWTPOIMOE-LBPRGKRZSA-N 0 1 222.357 2.409 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000159606645 384453621 /nfs/dbraw/zinc/45/36/21/384453621.db2.gz GYMLOCFROUBQTC-WFASDCNBSA-N 0 1 246.354 2.119 20 0 BEADMN Cc1cc(OCCOCC(F)F)cc(C)n1 ZINC000527287476 384431381 /nfs/dbraw/zinc/43/13/81/384431381.db2.gz AFBODAUTIYKKGR-UHFFFAOYSA-N 0 1 231.242 2.359 20 0 BEADMN Fc1ccc(CNCCOCC2CC2)c(F)c1 ZINC000224524755 384439649 /nfs/dbraw/zinc/43/96/49/384439649.db2.gz GWOKXKIMASTVRS-UHFFFAOYSA-N 0 1 241.281 2.481 20 0 BEADMN c1cnn([C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000102409625 384460694 /nfs/dbraw/zinc/46/06/94/384460694.db2.gz MRQZZOCPHDNTHA-CQSZACIVSA-N 0 1 242.326 2.115 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)c1ccn[nH]1 ZINC000078871071 384469405 /nfs/dbraw/zinc/46/94/05/384469405.db2.gz PREWYVOWTAIRIY-UHFFFAOYSA-N 0 1 223.320 2.164 20 0 BEADMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000122334245 384475491 /nfs/dbraw/zinc/47/54/91/384475491.db2.gz ZHJHXYFLZPCJHQ-CYBMUJFWSA-N 0 1 223.291 2.173 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cccc(O)c2Cl)CO1 ZINC000335664620 384478395 /nfs/dbraw/zinc/47/83/95/384478395.db2.gz UVQJHHDZKSLWML-PSASIEDQSA-N 0 1 241.718 2.313 20 0 BEADMN C[N@@H+](CCc1c(F)cccc1F)CC(C)(C)O ZINC000402105006 384483552 /nfs/dbraw/zinc/48/35/52/384483552.db2.gz USOUAAFJYZBPGA-UHFFFAOYSA-N 0 1 243.297 2.210 20 0 BEADMN C[C@H](O)[C@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001645145195 1172638469 /nfs/dbraw/zinc/63/84/69/1172638469.db2.gz MEBQPYSKWFGLKK-UWVGGRQHSA-N 0 1 239.746 2.467 20 0 BEADMN C[C@@H](NCCC[C@H]1CCOC1)c1csnn1 ZINC000400582519 384503044 /nfs/dbraw/zinc/50/30/44/384503044.db2.gz UKAYMDQYIVMGMP-ZJUUUORDSA-N 0 1 241.360 2.005 20 0 BEADMN C[C@@H](O)[C@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001645145196 1172639022 /nfs/dbraw/zinc/63/90/22/1172639022.db2.gz MEBQPYSKWFGLKK-VHSXEESVSA-N 0 1 239.746 2.467 20 0 BEADMN CCc1nocc1CNCc1ccc(CO)cc1 ZINC000647228900 384494219 /nfs/dbraw/zinc/49/42/19/384494219.db2.gz BDECOWOLQNGZIQ-UHFFFAOYSA-N 0 1 246.310 2.019 20 0 BEADMN COC(CN1CCc2sccc2[C@H]1C)OC ZINC000085351291 384516989 /nfs/dbraw/zinc/51/69/89/384516989.db2.gz YIZZZYLIFIIYFQ-SECBINFHSA-N 0 1 241.356 2.286 20 0 BEADMN Cn1cc(CNC2(c3ccc(F)cc3)CC2)cn1 ZINC000356886149 384531727 /nfs/dbraw/zinc/53/17/27/384531727.db2.gz YKYAUQRMUAUYKG-UHFFFAOYSA-N 0 1 245.301 2.338 20 0 BEADMN CCN(CCOC)Cc1cccc(Cl)n1 ZINC000085696836 384542657 /nfs/dbraw/zinc/54/26/57/384542657.db2.gz SNTSLTRMZBNEFG-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CC1(C)CCC(CC(=O)N2CCNCC2)CC1 ZINC000236629599 384544062 /nfs/dbraw/zinc/54/40/62/384544062.db2.gz ZDGKFPPHHDKYKT-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1nc(CN[C@H](CO)C(C)(C)C)c(C)s1 ZINC000309700422 384544665 /nfs/dbraw/zinc/54/46/65/384544665.db2.gz MKYXOQHYTYVHEG-LLVKDONJSA-N 0 1 242.388 2.257 20 0 BEADMN CC(C)CC1(C(=O)N2CCN[C@@H](C)C2)CCC1 ZINC000236663720 384551325 /nfs/dbraw/zinc/55/13/25/384551325.db2.gz FNPGOOCBJPBEFB-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@@H](c1ccccc1)N1C[C@H](C)[C@H](C)C1 ZINC000362436200 384552003 /nfs/dbraw/zinc/55/20/03/384552003.db2.gz ZKCOGNXLXPGXIK-MBNYWOFBSA-N 0 1 247.338 2.489 20 0 BEADMN Cc1csc(CN2CCC[C@H](CO)CC2)n1 ZINC000292989749 384553435 /nfs/dbraw/zinc/55/34/35/384553435.db2.gz BZQLMCSKMDCCBS-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)[C@H]1C ZINC000248816221 384554445 /nfs/dbraw/zinc/55/44/45/384554445.db2.gz CZRNERWZZRERPQ-MDZLAQPJSA-N 0 1 249.358 2.283 20 0 BEADMN COC[C@H](C)NCc1nc2cc(C)ccc2n1C ZINC000184050759 384555901 /nfs/dbraw/zinc/55/59/01/384555901.db2.gz CMVNCKVNWVGKSZ-NSHDSACASA-N 0 1 247.342 2.006 20 0 BEADMN CC(C)[C@@H](NCC(N)=O)c1ccccc1Cl ZINC000183692090 384561708 /nfs/dbraw/zinc/56/17/08/384561708.db2.gz TUYGLHYJFMJBAN-GFCCVEGCSA-N 0 1 240.734 2.112 20 0 BEADMN CC(C)[C@H](NCC(N)=O)c1ccccc1Cl ZINC000183692075 384561782 /nfs/dbraw/zinc/56/17/82/384561782.db2.gz TUYGLHYJFMJBAN-LBPRGKRZSA-N 0 1 240.734 2.112 20 0 BEADMN CC[C@H](C)C[C@H](CO)N[C@H](C)c1cc(C)on1 ZINC000647336581 384576939 /nfs/dbraw/zinc/57/69/39/384576939.db2.gz CPVWDKUZJUSOBB-MVWJERBFSA-N 0 1 240.347 2.431 20 0 BEADMN COC[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000102681019 384577814 /nfs/dbraw/zinc/57/78/14/384577814.db2.gz HMZGRXBGSBQEGM-NSHDSACASA-N 0 1 246.310 2.466 20 0 BEADMN CN(Cc1ccco1)CC1=CCCOC1 ZINC000162176057 384582395 /nfs/dbraw/zinc/58/23/95/384582395.db2.gz NWYVMEALKWXSLF-UHFFFAOYSA-N 0 1 207.273 2.058 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC(C)(C)C2)nn1 ZINC000334842820 384583797 /nfs/dbraw/zinc/58/37/97/384583797.db2.gz WNVZZZQJIYEZSV-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000521055836 384564621 /nfs/dbraw/zinc/56/46/21/384564621.db2.gz FTIUGKWWABIPRB-CYBMUJFWSA-N 0 1 245.322 2.397 20 0 BEADMN CSCCCNC(=O)c1ccc(F)cc1O ZINC000123860565 384590309 /nfs/dbraw/zinc/59/03/09/384590309.db2.gz UNGCSCULYJCBKJ-UHFFFAOYSA-N 0 1 243.303 2.014 20 0 BEADMN COC[C@H](NCCOC(C)C)c1ccc(C)o1 ZINC000184662528 384632486 /nfs/dbraw/zinc/63/24/86/384632486.db2.gz WFBMMTLMWAMWTM-LBPRGKRZSA-N 0 1 241.331 2.290 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)NCCN1CCC1 ZINC000533566799 384603464 /nfs/dbraw/zinc/60/34/64/384603464.db2.gz WUCXPSDGCLVUAV-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccn[nH]1 ZINC000081178264 384608284 /nfs/dbraw/zinc/60/82/84/384608284.db2.gz BMDGYCUFUVIVEU-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1noc(C)c1CN1CCSC[C@H]1C ZINC000172589449 384609314 /nfs/dbraw/zinc/60/93/14/384609314.db2.gz QPIYFXZSOZSHNN-MRVPVSSYSA-N 0 1 226.345 2.229 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769443 384614244 /nfs/dbraw/zinc/61/42/44/384614244.db2.gz VKTZMHGVYFCYHB-UTUOFQBUSA-N 0 1 248.326 2.185 20 0 BEADMN COC[C@@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000172879158 384632970 /nfs/dbraw/zinc/63/29/70/384632970.db2.gz WVRKZHNDGVKGLY-JSGCOSHPSA-N 0 1 235.327 2.095 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC[C@H]2C)n1 ZINC000162454315 384622181 /nfs/dbraw/zinc/62/21/81/384622181.db2.gz KQGCRBSBJUUPEX-ZYHUDNBSSA-N 0 1 249.358 2.413 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC[C@@H]2C)n1 ZINC000162454064 384622577 /nfs/dbraw/zinc/62/25/77/384622577.db2.gz KQGCRBSBJUUPEX-CMPLNLGQSA-N 0 1 249.358 2.413 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@@H]2CCCO2)s1 ZINC000172774425 384625194 /nfs/dbraw/zinc/62/51/94/384625194.db2.gz PUQSKZDTWZKLIW-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN Cc1csc(CNCCc2nccs2)n1 ZINC000117384328 384626920 /nfs/dbraw/zinc/62/69/20/384626920.db2.gz NFWBCDHRZYAMAJ-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN c1cc2c(s1)CCN(CC1=CCCOC1)C2 ZINC000124294134 384630079 /nfs/dbraw/zinc/63/00/79/384630079.db2.gz WKLFHLSWMBZGBI-UHFFFAOYSA-N 0 1 235.352 2.453 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC1(C)C ZINC000517962044 384596001 /nfs/dbraw/zinc/59/60/01/384596001.db2.gz YJPDIKPOIRDSLA-GHMZBOCLSA-N 0 1 249.358 2.235 20 0 BEADMN CCCn1cc(CNC(C)(C)CF)cn1 ZINC000336746232 384599050 /nfs/dbraw/zinc/59/90/50/384599050.db2.gz BBOIEGKHMWEICB-UHFFFAOYSA-N 0 1 213.300 2.131 20 0 BEADMN CC(C)(CCn1ccnc1CN)C1CC1 ZINC000405953818 384602391 /nfs/dbraw/zinc/60/23/91/384602391.db2.gz ISAJNYOGXVZBEP-UHFFFAOYSA-N 0 1 207.321 2.168 20 0 BEADMN CN1CCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000082322409 384667200 /nfs/dbraw/zinc/66/72/00/384667200.db2.gz PXEKSQKAHRMIIH-AWEZNQCLSA-N 0 1 244.338 2.060 20 0 BEADMN CC(=O)CN(C)CCc1ccccc1C ZINC000258820943 384669870 /nfs/dbraw/zinc/66/98/70/384669870.db2.gz AAEPOUFPYPDMHC-UHFFFAOYSA-N 0 1 205.301 2.058 20 0 BEADMN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1C ZINC000082337189 384670260 /nfs/dbraw/zinc/67/02/60/384670260.db2.gz TVMPRBASPQRGEU-BXUZGUMPSA-N 0 1 244.338 2.058 20 0 BEADMN c1cn(CCN2CCc3sccc3C2)cn1 ZINC000162726876 384674924 /nfs/dbraw/zinc/67/49/24/384674924.db2.gz GFQJKWDIBSQMKL-UHFFFAOYSA-N 0 1 233.340 2.003 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cs1 ZINC000086334800 384640824 /nfs/dbraw/zinc/64/08/24/384640824.db2.gz IRQDAQUIDACUSO-LURJTMIESA-N 0 1 233.720 2.306 20 0 BEADMN COC[C@H](N[C@H]1CO[C@@H](C)C1)c1ccc(C)o1 ZINC000647188913 384647198 /nfs/dbraw/zinc/64/71/98/384647198.db2.gz RBTATHUMXPGPNK-TUAOUCFPSA-N 0 1 239.315 2.043 20 0 BEADMN COC[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccc(C)o1 ZINC000647188912 384648578 /nfs/dbraw/zinc/64/85/78/384648578.db2.gz RBTATHUMXPGPNK-SRVKXCTJSA-N 0 1 239.315 2.043 20 0 BEADMN Cc1ccc([C@@H]2CCCCN2CC(N)=O)cc1 ZINC000124515495 384649911 /nfs/dbraw/zinc/64/99/11/384649911.db2.gz DNHBYHOTNKIFSE-ZDUSSCGKSA-N 0 1 232.327 2.007 20 0 BEADMN COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000082250076 384654216 /nfs/dbraw/zinc/65/42/16/384654216.db2.gz YBEXTMZKGVCOAW-SNVBAGLBSA-N 0 1 237.299 2.163 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(C)(C)C(C)(C)C ZINC000336656033 384654910 /nfs/dbraw/zinc/65/49/10/384654910.db2.gz LBIVMESBZXPWMT-UHFFFAOYSA-N 0 1 237.347 2.407 20 0 BEADMN C[C@]1(NCc2ccc(Cl)o2)CCOC1 ZINC000160198376 384657978 /nfs/dbraw/zinc/65/79/78/384657978.db2.gz ZFIVQQAISMRWLX-JTQLQIEISA-N 0 1 215.680 2.202 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC[C@H]2C)n1 ZINC000335913808 384677752 /nfs/dbraw/zinc/67/77/52/384677752.db2.gz QFRNKLGEFGADDE-KOLCDFICSA-N 0 1 205.305 2.063 20 0 BEADMN Cn1cc(CN2CCC[C@H]2c2ccncc2)cn1 ZINC000162756257 384680142 /nfs/dbraw/zinc/68/01/42/384680142.db2.gz NCXQPAQPODOREZ-AWEZNQCLSA-N 0 1 242.326 2.152 20 0 BEADMN C(=C/c1ccccc1)\CN1CCO[C@@H]2C[C@@H]21 ZINC000368333068 384687270 /nfs/dbraw/zinc/68/72/70/384687270.db2.gz SAQAADSETXHKEZ-QFVHEQCKSA-N 0 1 215.296 2.173 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000444200687 384690042 /nfs/dbraw/zinc/69/00/42/384690042.db2.gz TYJJXUHQUPHKMN-BXKDBHETSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)[nH]1 ZINC000269832477 384692269 /nfs/dbraw/zinc/69/22/69/384692269.db2.gz JNPYFKLYHQLXTJ-NXEZZACHSA-N 0 1 235.331 2.226 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)[nH]1 ZINC000269832481 384692790 /nfs/dbraw/zinc/69/27/90/384692790.db2.gz JNPYFKLYHQLXTJ-VHSXEESVSA-N 0 1 235.331 2.226 20 0 BEADMN COC(=O)CCN(C)[C@@H](C)c1ccccc1F ZINC000052074011 384713789 /nfs/dbraw/zinc/71/37/89/384713789.db2.gz YMAXFCNEARRZJU-JTQLQIEISA-N 0 1 239.290 2.382 20 0 BEADMN COC[C@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009870 384714865 /nfs/dbraw/zinc/71/48/65/384714865.db2.gz SBRFWEATKIXKBC-RYUDHWBXSA-N 0 1 238.331 2.402 20 0 BEADMN COC[C@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009868 384717105 /nfs/dbraw/zinc/71/71/05/384717105.db2.gz SBRFWEATKIXKBC-NEPJUHHUSA-N 0 1 238.331 2.402 20 0 BEADMN C[S@@](=O)c1ccc(CNC(C)(C)CF)cc1 ZINC000309924435 384718241 /nfs/dbraw/zinc/71/82/41/384718241.db2.gz UPXYZZXXECZVSE-MRXNPFEDSA-N 0 1 243.347 2.262 20 0 BEADMN Cc1c[nH]nc1C[NH2+]CCc1ccccc1 ZINC000309916072 384719299 /nfs/dbraw/zinc/71/92/99/384719299.db2.gz PMKKAXAMIFWNSL-UHFFFAOYSA-N 0 1 215.300 2.050 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000083839785 384773118 /nfs/dbraw/zinc/77/31/18/384773118.db2.gz KRHLFTDMUDYVNL-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)Cc2cnccn2)C1(C)C ZINC000557048276 384776980 /nfs/dbraw/zinc/77/69/80/384776980.db2.gz JWLRZPBIJPHCSK-QWHCGFSZSA-N 0 1 249.358 2.112 20 0 BEADMN CCCc1ncc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000449614022 384729310 /nfs/dbraw/zinc/72/93/10/384729310.db2.gz UGAVDSADTBHZEK-CKYFFXLPSA-N 0 1 238.331 2.283 20 0 BEADMN C[C@H]1C[C@@H](NCc2cc(F)c(F)cc2F)CO1 ZINC000335440853 384730929 /nfs/dbraw/zinc/73/09/29/384730929.db2.gz XZORZPYMXXVMSA-IONNQARKSA-N 0 1 245.244 2.371 20 0 BEADMN Cc1ccnc(NC[C@@H]2CC[C@@H](C)O2)c1 ZINC000334813261 384733057 /nfs/dbraw/zinc/73/30/57/384733057.db2.gz OSOSYJJBEODZCP-MNOVXSKESA-N 0 1 206.289 2.369 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)c(F)cc2F)CO1 ZINC000335440854 384733190 /nfs/dbraw/zinc/73/31/90/384733190.db2.gz XZORZPYMXXVMSA-VXNVDRBHSA-N 0 1 245.244 2.371 20 0 BEADMN Cc1nccc(N[C@H]2CO[C@H](C)C2)c1Cl ZINC000335442787 384735995 /nfs/dbraw/zinc/73/59/95/384735995.db2.gz XXCHJSLPJAODGF-VXNVDRBHSA-N 0 1 226.707 2.055 20 0 BEADMN Cc1ccnc(NC[C@H]2CCCC[C@@H]2O)c1 ZINC000082997327 384736870 /nfs/dbraw/zinc/73/68/70/384736870.db2.gz LJCHGQJSLZRCNB-NEPJUHHUSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCCC[C@H]2O)c1 ZINC000082997330 384737053 /nfs/dbraw/zinc/73/70/53/384737053.db2.gz LJCHGQJSLZRCNB-NWDGAFQWSA-N 0 1 220.316 2.353 20 0 BEADMN CN(Cc1cn2ccccc2n1)C1CCC1 ZINC000173916892 384737208 /nfs/dbraw/zinc/73/72/08/384737208.db2.gz RAFIAOAOPRHWDY-UHFFFAOYSA-N 0 1 215.300 2.319 20 0 BEADMN C[C@H](NC1Cc2ccccc2C1)c1csnn1 ZINC000334830224 384740112 /nfs/dbraw/zinc/74/01/12/384740112.db2.gz SBLCNNWYSSYLEQ-VIFPVBQESA-N 0 1 245.351 2.356 20 0 BEADMN C[C@H]1C[C@@H](O)CN(Cc2nc3ccccc3o2)C1 ZINC000334827497 384742292 /nfs/dbraw/zinc/74/22/92/384742292.db2.gz QRNYNJFDCZWSGO-WDEREUQCSA-N 0 1 246.310 2.031 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(F)c(C)c1 ZINC000103099598 384748189 /nfs/dbraw/zinc/74/81/89/384748189.db2.gz SXVMCZKALTYUDW-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@H]1C[C@H](NCc2nc(C3CC3)cs2)CO1 ZINC000647192904 384748185 /nfs/dbraw/zinc/74/81/85/384748185.db2.gz BWGNAEQJOPGKAF-WPRPVWTQSA-N 0 1 238.356 2.288 20 0 BEADMN CCN(CC(C)C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881457 384752315 /nfs/dbraw/zinc/75/23/15/384752315.db2.gz UAPIZXFLIKZIOG-OAHLLOKOSA-N 0 1 248.370 2.365 20 0 BEADMN CCCc1csc(CN[C@@]2(C)CCOC2)n1 ZINC000309972822 384752880 /nfs/dbraw/zinc/75/28/80/384752880.db2.gz QJUSMQUULFJOSD-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])co1)CC1CCC1 ZINC000061479562 384756569 /nfs/dbraw/zinc/75/65/69/384756569.db2.gz CXKXVGBNSSJHOS-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN CCCc1ccc(C(=O)Nc2nnc(C)[nH]2)cc1 ZINC000103257676 384756656 /nfs/dbraw/zinc/75/66/56/384756656.db2.gz UKIZKNRVHGYENU-UHFFFAOYSA-N 0 1 244.298 2.318 20 0 BEADMN CCCc1ccc(C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000103257676 384756661 /nfs/dbraw/zinc/75/66/61/384756661.db2.gz UKIZKNRVHGYENU-UHFFFAOYSA-N 0 1 244.298 2.318 20 0 BEADMN CC(C)N(C)CC[NH2+][C@@H](C)c1ccoc1 ZINC000087290174 384759531 /nfs/dbraw/zinc/75/95/31/384759531.db2.gz OPELHHAEAXXHCG-NSHDSACASA-N 0 1 210.321 2.270 20 0 BEADMN Cc1ccc(O[C@@H](C)CNCc2ncc[nH]2)cc1 ZINC000083374229 384766439 /nfs/dbraw/zinc/76/64/39/384766439.db2.gz QBNXXAZFAKKCJD-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2ccc(C)cc2)n[nH]1 ZINC000054126479 384822826 /nfs/dbraw/zinc/82/28/26/384822826.db2.gz JALFBSSCWRETIR-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN C[C@@H](CO)CNCc1ncc(C(C)(C)C)s1 ZINC000279106976 384828386 /nfs/dbraw/zinc/82/83/86/384828386.db2.gz JUXAXAPNMKPSBV-SECBINFHSA-N 0 1 242.388 2.159 20 0 BEADMN CC(C)c1ccc(C(=O)N2CCNC[C@@H]2C)cc1 ZINC000054369945 384835087 /nfs/dbraw/zinc/83/50/87/384835087.db2.gz FGXTZAMLGXBUFN-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN CCNC(=O)C(C)(C)NCc1csc(C)c1 ZINC000312863585 384785343 /nfs/dbraw/zinc/78/53/43/384785343.db2.gz XADFEZYFHVFNCP-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1csnn1 ZINC000306591418 384788246 /nfs/dbraw/zinc/78/82/46/384788246.db2.gz VPDGIPUPEOUNNY-LURQLKTLSA-N 0 1 211.334 2.233 20 0 BEADMN CC(C)c1ccc(C(=O)N2CCNC[C@H]2C)cc1 ZINC000054369943 384836289 /nfs/dbraw/zinc/83/62/89/384836289.db2.gz FGXTZAMLGXBUFN-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN C[N@H+](Cc1ccco1)C[C@H]1CCCC[C@@H]1O ZINC000053883215 384811267 /nfs/dbraw/zinc/81/12/67/384811267.db2.gz NRBDAOOWXAFHMN-YPMHNXCESA-N 0 1 223.316 2.263 20 0 BEADMN C[C@H](NCCc1ccccc1)c1csnn1 ZINC000398268661 384872159 /nfs/dbraw/zinc/87/21/59/384872159.db2.gz FZAWNZHIMIAIQX-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN CCC(CC)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177129798 384875314 /nfs/dbraw/zinc/87/53/14/384875314.db2.gz HYVBHZOABDHDDG-JQWIXIFHSA-N 0 1 238.375 2.164 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H]2CCC[C@H](C)C2)nn1 ZINC000310181075 384881552 /nfs/dbraw/zinc/88/15/52/384881552.db2.gz WIHQKNKMLCPQKG-QJPTWQEYSA-N 0 1 236.363 2.385 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1c(F)cccc1F ZINC000336096657 384884058 /nfs/dbraw/zinc/88/40/58/384884058.db2.gz LMNIWWORDLZGIU-ZJUUUORDSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@H](c1ccccc1)N(C)Cc1nnc[nH]1 ZINC000174812181 384842643 /nfs/dbraw/zinc/84/26/43/384842643.db2.gz JRBDPTSENUASIL-GFCCVEGCSA-N 0 1 230.315 2.388 20 0 BEADMN c1ncc(CNCc2ccc3c(c2)OCO3)s1 ZINC000054770161 384854811 /nfs/dbraw/zinc/85/48/11/384854811.db2.gz GTAVLBWQMNIQNP-UHFFFAOYSA-N 0 1 248.307 2.162 20 0 BEADMN COC(=O)[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000300014472 384856521 /nfs/dbraw/zinc/85/65/21/384856521.db2.gz KYTSNAPKGYMZSW-XKAARJIMSA-N 0 1 239.359 2.352 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(C)C[C@H]1CC ZINC000561616786 384857841 /nfs/dbraw/zinc/85/78/41/384857841.db2.gz SOZAARIZPIWILH-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCOC(=O)CN(CCCCOC)C(C)(C)C ZINC000152106563 384955059 /nfs/dbraw/zinc/95/50/59/384955059.db2.gz JBWAYRMQSJRWTB-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN C[C@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000301559732 384894266 /nfs/dbraw/zinc/89/42/66/384894266.db2.gz TZDLGEBTJMDUOJ-MRVPVSSYSA-N 0 1 220.247 2.167 20 0 BEADMN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccco1 ZINC000127475625 384899485 /nfs/dbraw/zinc/89/94/85/384899485.db2.gz ZXRUFNLIEAYNCP-QFYYESIMSA-N 0 1 243.372 2.477 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000127476217 384900843 /nfs/dbraw/zinc/90/08/43/384900843.db2.gz HITBASWHJVNWJV-CYBMUJFWSA-N 0 1 230.315 2.383 20 0 BEADMN Cc1ccnc(NC[C@H](C)C[C@H](C)O)c1 ZINC000301633508 384904241 /nfs/dbraw/zinc/90/42/41/384904241.db2.gz JYQMHDGBMWLPPF-MNOVXSKESA-N 0 1 208.305 2.209 20 0 BEADMN C[C@H](N(C)CC(=O)Nc1ccncc1)C1(C)CC1 ZINC000177217041 384913430 /nfs/dbraw/zinc/91/34/30/384913430.db2.gz XRJYOQLVIMTRAH-NSHDSACASA-N 0 1 247.342 2.141 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@@H](C)c1cscn1 ZINC000127853560 384915783 /nfs/dbraw/zinc/91/57/83/384915783.db2.gz DALAYPKAABHTLK-ATZCPNFKSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H](O)CN(C)Cc1ccc(F)cc1Cl ZINC000051821651 384919055 /nfs/dbraw/zinc/91/90/55/384919055.db2.gz QKKGNPZGNJUCGB-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN Clc1cccc2c1OC[C@@H]2N[C@@H]1CCOC1 ZINC000369438491 384959406 /nfs/dbraw/zinc/95/94/06/384959406.db2.gz FJUDYCGSDBQTSK-KCJUWKMLSA-N 0 1 239.702 2.152 20 0 BEADMN Cc1nc(CNC[C@H](O)CC(C)(C)C)cs1 ZINC000164144712 384925263 /nfs/dbraw/zinc/92/52/63/384925263.db2.gz BTRHYOKQOMACOK-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H](O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000127677889 384931356 /nfs/dbraw/zinc/93/13/56/384931356.db2.gz YAUADQOCHARHNS-MRVPVSSYSA-N 0 1 247.260 2.307 20 0 BEADMN Cn1cccc1CNCc1ccc(Cl)nc1 ZINC000164197171 384940660 /nfs/dbraw/zinc/94/06/60/384940660.db2.gz NGYDOTJOISCADE-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCOC[C@@H]2C)o1 ZINC000300829227 384965694 /nfs/dbraw/zinc/96/56/94/384965694.db2.gz HIFHWFAVJWLZRY-INTQDDNPSA-N 0 1 224.304 2.059 20 0 BEADMN CC1(C)CCC(NC(=O)c2cnccc2N)CC1 ZINC000127949707 384967184 /nfs/dbraw/zinc/96/71/84/384967184.db2.gz INNPCEUKGAYQJS-UHFFFAOYSA-N 0 1 247.342 2.362 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000062133315 384969448 /nfs/dbraw/zinc/96/94/48/384969448.db2.gz BMHNJHIHAVOQKA-LBPRGKRZSA-N 0 1 233.311 2.210 20 0 BEADMN CC[C@@H](C)[C@@H](C)Nc1ccncc1C(N)=O ZINC000302221358 384972455 /nfs/dbraw/zinc/97/24/55/384972455.db2.gz MMHTZLNSFITHOI-RKDXNWHRSA-N 0 1 221.304 2.027 20 0 BEADMN COC1(CCN[C@H](C)c2ccon2)CCC1 ZINC000339089502 384973402 /nfs/dbraw/zinc/97/34/02/384973402.db2.gz RGZQZEZCCYCINX-SNVBAGLBSA-N 0 1 224.304 2.284 20 0 BEADMN Cc1cc(CNCc2cccc(O)c2)sn1 ZINC000404414879 384982272 /nfs/dbraw/zinc/98/22/72/384982272.db2.gz MOOGRCYBUUQKAY-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CCC[C@@](C)(O)CN[C@@H](C)c1nccs1 ZINC000129205379 384985595 /nfs/dbraw/zinc/98/55/95/384985595.db2.gz NOBUTLBPALKNGL-GXSJLCMTSA-N 0 1 228.361 2.345 20 0 BEADMN CC(C)n1cc(CNC2C(C)(C)C2(C)C)nn1 ZINC000310332177 384987859 /nfs/dbraw/zinc/98/78/59/384987859.db2.gz YXWMPLWJFSHSPE-UHFFFAOYSA-N 0 1 236.363 2.383 20 0 BEADMN C[N@@H+](CCO)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361587474 384989529 /nfs/dbraw/zinc/98/95/29/384989529.db2.gz JUHYJJIKYPQATQ-BDAKNGLRSA-N 0 1 225.254 2.032 20 0 BEADMN Cc1nocc1CNCC1(C(F)(F)F)CC1 ZINC000339394370 384989818 /nfs/dbraw/zinc/98/98/18/384989818.db2.gz QTXWRAZXQZMISM-UHFFFAOYSA-N 0 1 234.221 2.415 20 0 BEADMN Cn1ccc(CNC[C@@H]2CCCCC2(F)F)n1 ZINC000294141046 384992463 /nfs/dbraw/zinc/99/24/63/384992463.db2.gz GIWLUNQGBWECMG-JTQLQIEISA-N 0 1 243.301 2.335 20 0 BEADMN Cc1cscc1C(=O)NCc1cn[nH]c1C ZINC000086788151 385049114 /nfs/dbraw/zinc/04/91/14/385049114.db2.gz AXJSRFIMUATLIB-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1nnc(NC[C@@H]2CCCC2(F)F)s1 ZINC000336232778 385051586 /nfs/dbraw/zinc/05/15/86/385051586.db2.gz UYIAHZLGLWJPJE-ZETCQYMHSA-N 0 1 233.287 2.116 20 0 BEADMN CCN(CC(=O)OC)C[C@H](C)CC(C)C ZINC000308743204 385054739 /nfs/dbraw/zinc/05/47/39/385054739.db2.gz MLRKCAIBFIUUPW-LLVKDONJSA-N 0 1 215.337 2.164 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1ncc(C)s1 ZINC000647244504 385057242 /nfs/dbraw/zinc/05/72/42/385057242.db2.gz AHIIGGIFRXJSSC-ONGXEEELSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1ccc(CN(Cc2n[nH]c(C)n2)C2CC2)o1 ZINC000644657311 385058888 /nfs/dbraw/zinc/05/88/88/385058888.db2.gz WKJMSDANNDVPIL-UHFFFAOYSA-N 0 1 246.314 2.179 20 0 BEADMN CN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000648274208 385065065 /nfs/dbraw/zinc/06/50/65/385065065.db2.gz QSEOQEIWJBBFQP-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2nccs2)n1 ZINC000647134095 385066070 /nfs/dbraw/zinc/06/60/70/385066070.db2.gz AVLNHUFFKQLEAM-SSDOTTSWSA-N 0 1 238.316 2.239 20 0 BEADMN FC(F)COCC[N@H+]1CCc2ccccc2C1 ZINC000188572468 385066702 /nfs/dbraw/zinc/06/67/02/385066702.db2.gz CQCADIHBCVIFGI-UHFFFAOYSA-N 0 1 241.281 2.326 20 0 BEADMN FC(F)COCCN1CCc2ccccc2C1 ZINC000188572468 385066714 /nfs/dbraw/zinc/06/67/14/385066714.db2.gz CQCADIHBCVIFGI-UHFFFAOYSA-N 0 1 241.281 2.326 20 0 BEADMN CC[C@H](N[C@H](C)c1cc(C)on1)C(C)(C)O ZINC000340500401 385081403 /nfs/dbraw/zinc/08/14/03/385081403.db2.gz GNKKRLGFPNFDGC-KOLCDFICSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1ncc(CNC[C@@H](O)C2CCCCC2)o1 ZINC000644668019 385082323 /nfs/dbraw/zinc/08/23/23/385082323.db2.gz VSBCXMWCNYCRCX-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1nccs1 ZINC000647243010 385029911 /nfs/dbraw/zinc/02/99/11/385029911.db2.gz CAVGPWNLMKFKCH-UWVGGRQHSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@@H](O)CC[N@@H+](C)C/C=C/c1ccccc1 ZINC000128441342 385037438 /nfs/dbraw/zinc/03/74/38/385037438.db2.gz QEXURXFVSULAND-YSKGHYERSA-N 0 1 219.328 2.403 20 0 BEADMN C[C@H](NCc1nccs1)[C@@]1(C)CCCO1 ZINC000340190835 385040491 /nfs/dbraw/zinc/04/04/91/385040491.db2.gz MKKJUYZBUOSWFO-GXSJLCMTSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cccc(N2CCC(C)(C(=O)[O-])CC2)[nH+]1 ZINC000647458191 385040902 /nfs/dbraw/zinc/04/09/02/385040902.db2.gz XEXYTHJUZOCXMH-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757519 385043036 /nfs/dbraw/zinc/04/30/36/385043036.db2.gz ZDNSELALHORWSZ-NWDGAFQWSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1nocc1CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000336319867 385043692 /nfs/dbraw/zinc/04/36/92/385043692.db2.gz QZZSEMDGHVOJMQ-RISCZKNCSA-N 0 1 249.358 2.042 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1c(F)cccc1F ZINC000086748035 385044446 /nfs/dbraw/zinc/04/44/46/385044446.db2.gz JSTPEDUNWWDMPY-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1csc(C)n1 ZINC000647244065 385045162 /nfs/dbraw/zinc/04/51/62/385045162.db2.gz TXVZNKPWFIILJQ-ONGXEEELSA-N 0 1 242.388 2.338 20 0 BEADMN CC[C@@H](O)CNc1ccc2c(c1)nc(C)n2C ZINC000644692600 385109839 /nfs/dbraw/zinc/10/98/39/385109839.db2.gz LAOLYFWQHBUQOP-LLVKDONJSA-N 0 1 233.315 2.065 20 0 BEADMN COc1nccc(CNCc2ccc(C)cc2)n1 ZINC000294682590 385112648 /nfs/dbraw/zinc/11/26/48/385112648.db2.gz FFSOHKSLNIUZIB-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCC[C@H](C)CN1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361656341 385115840 /nfs/dbraw/zinc/11/58/40/385115840.db2.gz SOPSLLJTVBIFIC-QJPTWQEYSA-N 0 1 231.405 2.264 20 0 BEADMN CCN(CC1CC1)C(=O)[C@H](N)c1ccccc1C ZINC000449126386 385118079 /nfs/dbraw/zinc/11/80/79/385118079.db2.gz UYMOHGWPXMTKPR-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN COc1nccc(CNCc2cccc(C)c2)n1 ZINC000294691043 385121657 /nfs/dbraw/zinc/12/16/57/385121657.db2.gz FXOARRWLSAGIKW-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc2ccccc2n1C ZINC000189121384 385127506 /nfs/dbraw/zinc/12/75/06/385127506.db2.gz HXPFYRKONYTPFU-WDEREUQCSA-N 0 1 247.342 2.086 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C(=O)NC2CC2)cc1 ZINC000061779246 385137562 /nfs/dbraw/zinc/13/75/62/385137562.db2.gz SOUOAPBZIMRHDT-LBPRGKRZSA-N 0 1 246.354 2.094 20 0 BEADMN Cn1ncnc1CNCC(C)(C)C1=CCCC1 ZINC000308765271 385085569 /nfs/dbraw/zinc/08/55/69/385085569.db2.gz HILUKFJKULSURB-UHFFFAOYSA-N 0 1 234.347 2.041 20 0 BEADMN C[C@@H](NCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000087263345 385090642 /nfs/dbraw/zinc/09/06/42/385090642.db2.gz OKMVUVUBNRHUOZ-SECBINFHSA-N 0 1 228.286 2.177 20 0 BEADMN Fc1cccn2cc(CN[C@H]3CC34CC4)nc12 ZINC000643800371 385104775 /nfs/dbraw/zinc/10/47/75/385104775.db2.gz XAMIIBBSANQTFX-NSHDSACASA-N 0 1 231.274 2.116 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1ccncc1 ZINC000188915246 385105148 /nfs/dbraw/zinc/10/51/48/385105148.db2.gz OXBWFXOBUKRGQX-UHFFFAOYSA-N 0 1 230.271 2.180 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C(C)(C)C)n1C ZINC000334154946 385105464 /nfs/dbraw/zinc/10/54/64/385105464.db2.gz SYJBTFHSSTVGLF-LLVKDONJSA-N 0 1 236.363 2.134 20 0 BEADMN CCc1nc(C)c(CN[C@@]2(CC)CCOC2)o1 ZINC000644688387 385107307 /nfs/dbraw/zinc/10/73/07/385107307.db2.gz XVZQDRKCQBESSG-ZDUSSCGKSA-N 0 1 238.331 2.204 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccco1 ZINC000227219446 385107475 /nfs/dbraw/zinc/10/74/75/385107475.db2.gz XPUASFFGYIQARY-DRZSPHRISA-N 0 1 249.310 2.497 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C)n[nH]1 ZINC000152507425 385188248 /nfs/dbraw/zinc/18/82/48/385188248.db2.gz KKQGXGDUQYYDPO-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1cncc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000190008643 385201877 /nfs/dbraw/zinc/20/18/77/385201877.db2.gz LQNZLFGEQXVXQC-CABCVRRESA-N 0 1 248.370 2.373 20 0 BEADMN Cc1cc(C)cc(CN(C)Cc2nnc[nH]2)c1 ZINC000177138475 385189104 /nfs/dbraw/zinc/18/91/04/385189104.db2.gz FXILGGYPOJXWML-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cncc(CN2CCSC[C@H]2C)c1 ZINC000189897247 385194235 /nfs/dbraw/zinc/19/42/35/385194235.db2.gz FTWGCOBDUJZTSK-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000129939153 385202096 /nfs/dbraw/zinc/20/20/96/385202096.db2.gz VITUTWVEIQHWFL-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](CNCc1ccccn1)C(F)(F)F ZINC000308826512 385195699 /nfs/dbraw/zinc/19/56/99/385195699.db2.gz DUSFVNMRRCMMLK-MRVPVSSYSA-N 0 1 218.222 2.370 20 0 BEADMN CCCC1(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000152114642 385155785 /nfs/dbraw/zinc/15/57/85/385155785.db2.gz UEKIDFUATNVVGF-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CC[C@@H](N[C@H]1CC12CC2)c1ccn(C)n1 ZINC000424315785 385156925 /nfs/dbraw/zinc/15/69/25/385156925.db2.gz DTWQRDNKUMEKLI-KOLCDFICSA-N 0 1 205.305 2.013 20 0 BEADMN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCCOC1 ZINC000424319526 385160608 /nfs/dbraw/zinc/16/06/08/385160608.db2.gz IKFCQVLZIBEPFX-RDBSUJKOSA-N 0 1 235.302 2.392 20 0 BEADMN CO[C@](C)(CNCc1cscn1)C1CC1 ZINC000291041204 385161818 /nfs/dbraw/zinc/16/18/18/385161818.db2.gz KYUYDLUDWRQWJM-LLVKDONJSA-N 0 1 226.345 2.048 20 0 BEADMN Cc1n[nH]cc1CNCc1cc2ccccc2[nH]1 ZINC000119725950 385164195 /nfs/dbraw/zinc/16/41/95/385164195.db2.gz YYJLFDORJUKBSN-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN Cc1noc(C)c1CNCc1ccc(O)cc1 ZINC000109460519 385165903 /nfs/dbraw/zinc/16/59/03/385165903.db2.gz XCTSWIZOHSBDJC-UHFFFAOYSA-N 0 1 232.283 2.287 20 0 BEADMN CC[C@H](N[C@H]1CC12CC2)c1nccn1C ZINC000424324314 385165984 /nfs/dbraw/zinc/16/59/84/385165984.db2.gz MSWXKEDENZMCMF-UWVGGRQHSA-N 0 1 205.305 2.013 20 0 BEADMN CCn1ccnc1NCc1ccnn1CC(C)C ZINC000647644431 385168726 /nfs/dbraw/zinc/16/87/26/385168726.db2.gz SJPXNBQJKJTOPJ-UHFFFAOYSA-N 0 1 247.346 2.368 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020087730 385172262 /nfs/dbraw/zinc/17/22/62/385172262.db2.gz DKZBOLHUXLKOHF-YUMQZZPRSA-N 0 1 228.361 2.445 20 0 BEADMN Cn1cncc1CN1CCCc2ccccc2C1 ZINC000177062807 385174305 /nfs/dbraw/zinc/17/43/05/385174305.db2.gz ZMLRSULMPUHJHG-UHFFFAOYSA-N 0 1 241.338 2.369 20 0 BEADMN C[C@@H](C(=O)NCC(C)(C)C(C)(C)C)N(C)C ZINC000647069545 385215255 /nfs/dbraw/zinc/21/52/55/385215255.db2.gz LOOWCWBYOQEBFV-JTQLQIEISA-N 0 1 228.380 2.125 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n[nH]1 ZINC000648329715 385215540 /nfs/dbraw/zinc/21/55/40/385215540.db2.gz HLHSNFAKJUFVQD-ZYHUDNBSSA-N 0 1 235.331 2.017 20 0 BEADMN Cn1cc([C@H](NCCF)C(C)(C)C)cn1 ZINC000308859542 385221904 /nfs/dbraw/zinc/22/19/04/385221904.db2.gz YHTJQQPYENISHY-JTQLQIEISA-N 0 1 213.300 2.066 20 0 BEADMN Cc1cnc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000153008213 385229592 /nfs/dbraw/zinc/22/95/92/385229592.db2.gz ZKJPTHGWBAIOHJ-GHMZBOCLSA-N 0 1 206.289 2.215 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000290578149 385250228 /nfs/dbraw/zinc/25/02/28/385250228.db2.gz ZFTOXINITQCGOP-MWLCHTKSSA-N 0 1 207.321 2.339 20 0 BEADMN C[N@@H+](Cc1ccc(F)cc1)CC1(CO)CC1 ZINC000190009672 385203803 /nfs/dbraw/zinc/20/38/03/385203803.db2.gz ZBOGBMOYJPHXBL-UHFFFAOYSA-N 0 1 223.291 2.030 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000157519526 385204884 /nfs/dbraw/zinc/20/48/84/385204884.db2.gz JAUAYAINOCPZMS-NXEZZACHSA-N 0 1 243.310 2.481 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)s1 ZINC000131043405 385302941 /nfs/dbraw/zinc/30/29/41/385302941.db2.gz QMMHWTSFKYNLKX-RFAUZJTJSA-N 0 1 245.413 2.255 20 0 BEADMN COc1cc(CNCc2ccncc2C)ccn1 ZINC000294930148 385318083 /nfs/dbraw/zinc/31/80/83/385318083.db2.gz DECIGGAAFFYUHH-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCn1nnc(C)c1CN(C)CCC(C)C ZINC000648357358 385321727 /nfs/dbraw/zinc/32/17/27/385321727.db2.gz HZOSFBGPTGTQQH-UHFFFAOYSA-N 0 1 224.352 2.084 20 0 BEADMN Cc1cnc(CNCC2(O)CCCCC2)s1 ZINC000294938356 385322964 /nfs/dbraw/zinc/32/29/64/385322964.db2.gz DPONNXZZYRMOOI-UHFFFAOYSA-N 0 1 240.372 2.236 20 0 BEADMN C[C@H](CCN(C)CC(=O)N(C)C)c1ccccc1 ZINC000191061754 385281601 /nfs/dbraw/zinc/28/16/01/385281601.db2.gz RBETWRXRHCBNJJ-CYBMUJFWSA-N 0 1 248.370 2.200 20 0 BEADMN COC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccco1 ZINC000191088686 385284321 /nfs/dbraw/zinc/28/43/21/385284321.db2.gz FQUCQISCFDIOIC-TUAOUCFPSA-N 0 1 239.315 2.124 20 0 BEADMN Cc1cc(CN2CCc3cn[nH]c3C2)cs1 ZINC000648376297 385284696 /nfs/dbraw/zinc/28/46/96/385284696.db2.gz BNCAHMFPBSTYNC-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CSC[C@H]2C)s1 ZINC000308926112 385287730 /nfs/dbraw/zinc/28/77/30/385287730.db2.gz DGGXPMRONCUMMK-BKPPORCPSA-N 0 1 243.401 2.249 20 0 BEADMN CC[C@H](NCC(=O)NC(C)C)c1ccsc1 ZINC000294165505 385323278 /nfs/dbraw/zinc/32/32/78/385323278.db2.gz BOIJIXOWQKBPEC-NSHDSACASA-N 0 1 240.372 2.313 20 0 BEADMN C[C@@H](CF)NCc1ccccc1N(C)C ZINC000308917648 385289452 /nfs/dbraw/zinc/28/94/52/385289452.db2.gz HXZJCDUAGRANLN-JTQLQIEISA-N 0 1 210.296 2.200 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCC3)no2)cs1 ZINC000647141704 385289699 /nfs/dbraw/zinc/28/96/99/385289699.db2.gz PBHPCVAFVASTBF-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN COC[C@H](NCc1c(F)cccc1F)C1CC1 ZINC000178499070 385290786 /nfs/dbraw/zinc/29/07/86/385290786.db2.gz SHIIDXSHQFXPMX-ZDUSSCGKSA-N 0 1 241.281 2.479 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000130853287 385291773 /nfs/dbraw/zinc/29/17/73/385291773.db2.gz SEHHZOJCAMYVEL-MLGOLLRUSA-N 0 1 239.384 2.194 20 0 BEADMN CC(C)(C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000191370193 385299552 /nfs/dbraw/zinc/29/95/52/385299552.db2.gz LMRKAGOJRYWVIU-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN CO[C@H](C)CNCc1csc(C2CC2)n1 ZINC000308944944 385300712 /nfs/dbraw/zinc/30/07/12/385300712.db2.gz NKNWBNSAYCFMCS-MRVPVSSYSA-N 0 1 226.345 2.145 20 0 BEADMN CC(C)[C@H](O)CCNCc1ncc(Cl)s1 ZINC000308999510 385331412 /nfs/dbraw/zinc/33/14/12/385331412.db2.gz NPNOGLSYLAPXOA-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@](O)(CNCc1ncc(Cl)s1)C1CC1 ZINC000308988611 385334948 /nfs/dbraw/zinc/33/49/48/385334948.db2.gz MXNVRVPWBKOZOO-JTQLQIEISA-N 0 1 246.763 2.047 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@@H](C)C(C)C)cc1 ZINC000228088849 385335243 /nfs/dbraw/zinc/33/52/43/385335243.db2.gz LHQZQMCVOCMWIB-OCCSQVGLSA-N 0 1 248.370 2.403 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N(C)CC ZINC000191982233 385339929 /nfs/dbraw/zinc/33/99/29/385339929.db2.gz SITZKOWNWPVPAB-SECBINFHSA-N 0 1 201.310 2.058 20 0 BEADMN CC[C@@H](NCC[NH+](C)C)c1ccccc1F ZINC000168114393 385350186 /nfs/dbraw/zinc/35/01/86/385350186.db2.gz VIGLMMHJKYTSHP-CYBMUJFWSA-N 0 1 224.323 2.428 20 0 BEADMN FCCNCc1cnc(-c2ccccc2)[nH]1 ZINC000280675422 385350821 /nfs/dbraw/zinc/35/08/21/385350821.db2.gz MPHLESZPSCUNMA-UHFFFAOYSA-N 0 1 219.263 2.136 20 0 BEADMN CSC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000294169850 385352065 /nfs/dbraw/zinc/35/20/65/385352065.db2.gz RHWJIFXFMPTKHX-LPEHRKFASA-N 0 1 225.361 2.230 20 0 BEADMN C[C@@H](C[C@@H](O)c1ccccc1)NCc1cocn1 ZINC000192338921 385353191 /nfs/dbraw/zinc/35/31/91/385353191.db2.gz WELJJAOLOWULTA-SMDDNHRTSA-N 0 1 246.310 2.276 20 0 BEADMN CCN(Cc1nc(N(C)C)no1)[C@H](C)C(C)C ZINC000192702594 385368528 /nfs/dbraw/zinc/36/85/28/385368528.db2.gz WRUKSPZCIJZNJJ-SNVBAGLBSA-N 0 1 240.351 2.002 20 0 BEADMN CCN[C@H](c1nc(C2CC2)no1)C(C)C ZINC000179818408 385380734 /nfs/dbraw/zinc/38/07/34/385380734.db2.gz CIEVKNHVZCHNPS-VIFPVBQESA-N 0 1 209.293 2.254 20 0 BEADMN C[C@H](N[C@H](CO)CC1CCC1)c1nccs1 ZINC000280863053 385382054 /nfs/dbraw/zinc/38/20/54/385382054.db2.gz CHXBPKBFGWHQNC-ONGXEEELSA-N 0 1 240.372 2.345 20 0 BEADMN CC[C@@H](NCC(=O)NC(C)C)c1ccsc1 ZINC000294165503 385324948 /nfs/dbraw/zinc/32/49/48/385324948.db2.gz BOIJIXOWQKBPEC-LLVKDONJSA-N 0 1 240.372 2.313 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2[nH]1 ZINC000647661117 385399699 /nfs/dbraw/zinc/39/96/99/385399699.db2.gz RZVPMFZJIKFQEW-GMSGAONNSA-N 0 1 229.283 2.466 20 0 BEADMN Cc1ccc(CNCc2n[nH]cc2C)s1 ZINC000289413284 385401040 /nfs/dbraw/zinc/40/10/40/385401040.db2.gz AMUDEBCPNHRLRP-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN Cc1cn[nH]c1CNc1cncc(C)c1 ZINC000289421751 385403212 /nfs/dbraw/zinc/40/32/12/385403212.db2.gz CRZAKZJACGRFKU-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cn[nH]c1CNc1ccccc1F ZINC000309072520 385403682 /nfs/dbraw/zinc/40/36/82/385403682.db2.gz FZTWROBSQCLCPK-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN CC[C@@H](NCc1cc(C)on1)[C@@H]1CCCO1 ZINC000182307336 385438266 /nfs/dbraw/zinc/43/82/66/385438266.db2.gz ACDWGBUXHULOMR-NEPJUHHUSA-N 0 1 224.304 2.030 20 0 BEADMN COc1nccnc1CN1CCCCC[C@H]1C ZINC000449036276 385443761 /nfs/dbraw/zinc/44/37/61/385443761.db2.gz SOGCSNHULJCXFI-LLVKDONJSA-N 0 1 235.331 2.250 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1Cc1ccccc1 ZINC000156112843 385436374 /nfs/dbraw/zinc/43/63/74/385436374.db2.gz BLWKKFHAEBJAEQ-NEPJUHHUSA-N 0 1 205.301 2.296 20 0 BEADMN Cc1ccnc(NC[C@]2(C)CCOC2)c1 ZINC000309193251 385457539 /nfs/dbraw/zinc/45/75/39/385457539.db2.gz QATTYVVOODFIHM-LBPRGKRZSA-N 0 1 206.289 2.229 20 0 BEADMN CO[C@@H](C)CNC(C)(C)c1nccs1 ZINC000182338506 385437577 /nfs/dbraw/zinc/43/75/77/385437577.db2.gz MYAPPUCFWHRBIV-QMMMGPOBSA-N 0 1 214.334 2.003 20 0 BEADMN CCC[C@H](C(=O)NCc1cn[nH]c1C)C(C)C ZINC000179622126 385478479 /nfs/dbraw/zinc/47/84/79/385478479.db2.gz DJZUFYGFQVBXFW-LBPRGKRZSA-N 0 1 237.347 2.407 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000257680989 385487252 /nfs/dbraw/zinc/48/72/52/385487252.db2.gz PTGHTGDDRXHNCQ-ZETCQYMHSA-N 0 1 245.731 2.308 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc2ccc(C)cn12 ZINC000179374089 385463098 /nfs/dbraw/zinc/46/30/98/385463098.db2.gz UNEBCHWDHOKYOJ-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(N)=O)cc1 ZINC000157699563 385517019 /nfs/dbraw/zinc/51/70/19/385517019.db2.gz PIXAVDICQZYFKR-WFASDCNBSA-N 0 1 246.354 2.253 20 0 BEADMN CCCCC[S@](=O)C=C(O)c1ccc[nH]1 ZINC000180536256 385529414 /nfs/dbraw/zinc/52/94/14/385529414.db2.gz RIDVKSRJBOQNQT-HNNXBMFYSA-N 0 1 227.329 2.136 20 0 BEADMN C[C@H](CSc1cn[nH]n1)C(F)(F)F ZINC000308230496 385539380 /nfs/dbraw/zinc/53/93/80/385539380.db2.gz GKECCSCIDVPFHV-SCSAIBSYSA-N 0 1 211.212 2.095 20 0 BEADMN CCOCCN1CCc2cccc(F)c2C1 ZINC000157953434 385540351 /nfs/dbraw/zinc/54/03/51/385540351.db2.gz COBWBQRVROSXNQ-UHFFFAOYSA-N 0 1 223.291 2.220 20 0 BEADMN CC(C)n1ccc(CN(C)CC2CC2)n1 ZINC000172012344 385540859 /nfs/dbraw/zinc/54/08/59/385540859.db2.gz BPMGACVNPMAIOY-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000157988281 385541483 /nfs/dbraw/zinc/54/14/83/385541483.db2.gz PSZXJHRMHWSNAV-MNOVXSKESA-N 0 1 249.358 2.480 20 0 BEADMN C[C@@H](CCNCc1cnn(C)n1)c1ccccc1 ZINC000289847358 385547747 /nfs/dbraw/zinc/54/77/47/385547747.db2.gz PUXSDIUEZLODQN-LBPRGKRZSA-N 0 1 244.342 2.099 20 0 BEADMN Cc1nccc(N2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000334232217 385523433 /nfs/dbraw/zinc/52/34/33/385523433.db2.gz MPDUBVGNYXDODS-AOOOYVTPSA-N 0 1 238.718 2.411 20 0 BEADMN CC(=O)c1ccc(NCCN2CCCCC2)nc1 ZINC000180978896 385558177 /nfs/dbraw/zinc/55/81/77/385558177.db2.gz WZKAKIXAEXUYDY-UHFFFAOYSA-N 0 1 247.342 2.182 20 0 BEADMN Cc1c([C@@H](C)NCc2cncc(C)c2)cnn1C ZINC000181029718 385559898 /nfs/dbraw/zinc/55/98/98/385559898.db2.gz LSQNFLOGTHOYDI-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN COc1nccnc1CN1C2CCCC1CCC2 ZINC000648377578 385599206 /nfs/dbraw/zinc/59/92/06/385599206.db2.gz RVMGFEWCYIRCJM-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN COc1cccc(CN[C@@H]2CCCC[C@H]2F)n1 ZINC000414509032 385599379 /nfs/dbraw/zinc/59/93/79/385599379.db2.gz DRNPWKHXYZOKSX-VXGBXAGGSA-N 0 1 238.306 2.461 20 0 BEADMN Cc1nccc(N[C@@H](C)C[C@H](C)O)c1Cl ZINC000336676329 385602425 /nfs/dbraw/zinc/60/24/25/385602425.db2.gz HPFJDSIDPAXDFP-YUMQZZPRSA-N 0 1 228.723 2.037 20 0 BEADMN FCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000181545191 385582536 /nfs/dbraw/zinc/58/25/36/385582536.db2.gz BOIMNDWRFXRGOX-CQSZACIVSA-N 0 1 237.318 2.290 20 0 BEADMN COC(=O)c1ccc(CN2CCC(C)=C(C)C2)[nH]1 ZINC000280977076 385622001 /nfs/dbraw/zinc/62/20/01/385622001.db2.gz VWNPDAIWEBYSTM-UHFFFAOYSA-N 0 1 248.326 2.343 20 0 BEADMN Cc1nccc(NCC[C@H](O)C(C)C)c1Cl ZINC000336651547 385627275 /nfs/dbraw/zinc/62/72/75/385627275.db2.gz FHEYJUVNVICPIQ-NSHDSACASA-N 0 1 242.750 2.284 20 0 BEADMN Cc1cc2cn[nH]c2c(C(=O)NOCC(C)C)c1 ZINC000269731046 385632606 /nfs/dbraw/zinc/63/26/06/385632606.db2.gz WHTUZKNNNJMEDM-UHFFFAOYSA-N 0 1 247.298 2.189 20 0 BEADMN COC(=O)CN(CCCCCF)C(C)C ZINC000336680742 385632770 /nfs/dbraw/zinc/63/27/70/385632770.db2.gz IXHCZKBDECEEMO-UHFFFAOYSA-N 0 1 219.300 2.010 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCC[C@H](C)C1 ZINC000309481116 385608723 /nfs/dbraw/zinc/60/87/23/385608723.db2.gz WSVODAOKLDFTNJ-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)CCC(C)C)CC1 ZINC000337344273 385612360 /nfs/dbraw/zinc/61/23/60/385612360.db2.gz YUMFPHKTJVUTQI-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN c1ccc(OCCN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281137611 385637871 /nfs/dbraw/zinc/63/78/71/385637871.db2.gz ONTDTTWWWIONAJ-CABCVRRESA-N 0 1 247.338 2.319 20 0 BEADMN CCCc1occc1C(=O)NCc1cn[nH]c1C ZINC000281216440 385644223 /nfs/dbraw/zinc/64/42/23/385644223.db2.gz LGOFGEVCRVRUFO-UHFFFAOYSA-N 0 1 247.298 2.194 20 0 BEADMN CO[C@H](C)CN1CCc2cc(F)ccc2C1 ZINC000182396791 385665382 /nfs/dbraw/zinc/66/53/82/385665382.db2.gz LMRJQQVEUFZNGM-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CC(C)COCCN1CC(C)(C)OC[C@@H]1C ZINC000337418615 385652930 /nfs/dbraw/zinc/65/29/30/385652930.db2.gz OTPBRIYBADVNRW-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)CCC[S@@](=O)C=C(O)c1ccc[nH]1 ZINC000182296457 385655309 /nfs/dbraw/zinc/65/53/09/385655309.db2.gz IYKFLLVIMJJTAV-MRXNPFEDSA-N 0 1 241.356 2.382 20 0 BEADMN C[C@@H](NCCCO)c1nc(C(C)(C)C)cs1 ZINC000184475600 385663710 /nfs/dbraw/zinc/66/37/10/385663710.db2.gz IYOIDDONPNANML-SECBINFHSA-N 0 1 242.388 2.474 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000182265801 385675572 /nfs/dbraw/zinc/67/55/72/385675572.db2.gz STBDNCLVTHRVLP-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC[C@@H](C)C2)n1 ZINC000182265801 385675579 /nfs/dbraw/zinc/67/55/79/385675579.db2.gz STBDNCLVTHRVLP-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN Cc1ncc(C(=O)N([C@@H](C)C2CC2)C2CC2)[nH]1 ZINC000270145180 385675968 /nfs/dbraw/zinc/67/59/68/385675968.db2.gz VSZUCVORUJEICU-QMMMGPOBSA-N 0 1 233.315 2.121 20 0 BEADMN CCOc1ccc(CN2C[C@@H](C)[C@H]2C)nc1 ZINC000645216027 385676644 /nfs/dbraw/zinc/67/66/44/385676644.db2.gz AVECFEAESZDWDZ-GHMZBOCLSA-N 0 1 220.316 2.321 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CSC[C@H]2C)n1 ZINC000309535851 385677109 /nfs/dbraw/zinc/67/71/09/385677109.db2.gz DYNPVRYXVDLUKJ-ZYHUDNBSSA-N 0 1 239.388 2.305 20 0 BEADMN Cc1[nH]ncc1CN[C@@H](C(C)C)C(F)(F)F ZINC000336734739 385680783 /nfs/dbraw/zinc/68/07/83/385680783.db2.gz HMGGMHVOCUSMEM-VIFPVBQESA-N 0 1 235.253 2.395 20 0 BEADMN CC[C@H](NC(=O)c1cnccc1N(C)C)C1CC1 ZINC000618869263 385682317 /nfs/dbraw/zinc/68/23/17/385682317.db2.gz TVIZLTLAEUPMMP-LBPRGKRZSA-N 0 1 247.342 2.066 20 0 BEADMN Cc1ccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)o1 ZINC000182576227 385683607 /nfs/dbraw/zinc/68/36/07/385683607.db2.gz GRKIQIBVDFDWJJ-SECBINFHSA-N 0 1 246.314 2.434 20 0 BEADMN C[C@@H](N[C@@H]1CC12CCCC2)c1nccn1C ZINC000309551563 385683758 /nfs/dbraw/zinc/68/37/58/385683758.db2.gz IJHBZRJYXHDVFP-GHMZBOCLSA-N 0 1 219.332 2.403 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc(C)c1F ZINC000182574102 385684236 /nfs/dbraw/zinc/68/42/36/385684236.db2.gz XOTDNCYHTOHFOM-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cn1cncc1CN[C@@H](c1cccnc1)C1CC1 ZINC000340102277 385685870 /nfs/dbraw/zinc/68/58/70/385685870.db2.gz DXCVUHCOLOWHRG-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN C[C@@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000645219887 385686473 /nfs/dbraw/zinc/68/64/73/385686473.db2.gz LUZDOJKBDFCZFC-RISCZKNCSA-N 0 1 217.312 2.395 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CCC(C)(C)O2)o1 ZINC000311773798 385686676 /nfs/dbraw/zinc/68/66/76/385686676.db2.gz HSFYJLMXIGAFTM-LLVKDONJSA-N 0 1 238.331 2.339 20 0 BEADMN C[C@@H](N[C@H]1C=CCCC1)c1nnc2ccccn21 ZINC000182677877 385695563 /nfs/dbraw/zinc/69/55/63/385695563.db2.gz KTBHFAOUHOJFAP-NEPJUHHUSA-N 0 1 242.326 2.489 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)cn2)[C@H](C)C1 ZINC000281729737 385697140 /nfs/dbraw/zinc/69/71/40/385697140.db2.gz PSNJWNJRBBOECC-MFKMUULPSA-N 0 1 238.306 2.220 20 0 BEADMN C[C@@H](NCC[C@H]1CCCCO1)c1ccon1 ZINC000336735592 385701226 /nfs/dbraw/zinc/70/12/26/385701226.db2.gz ICMMEYDYNFDNGM-GHMZBOCLSA-N 0 1 224.304 2.284 20 0 BEADMN C[C@H](NCC1(C(F)F)CC1)c1nccn1C ZINC000309571097 385701561 /nfs/dbraw/zinc/70/15/61/385701561.db2.gz NQZMGISSOODWCP-QMMMGPOBSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NCC(F)(F)CO ZINC000184713655 385705600 /nfs/dbraw/zinc/70/56/00/385705600.db2.gz UCEGBWFGARVBQS-IUCAKERBSA-N 0 1 221.291 2.028 20 0 BEADMN CC[C@@H](NCc1cc(C)ncn1)c1ccncc1 ZINC000647911917 385668135 /nfs/dbraw/zinc/66/81/35/385668135.db2.gz OQRFXEZYLZOKFG-CQSZACIVSA-N 0 1 242.326 2.421 20 0 BEADMN COCc1cnc(CN[C@@H]2CC[C@@H](F)C2)s1 ZINC000336691102 385727595 /nfs/dbraw/zinc/72/75/95/385727595.db2.gz KMOHWINQBFOLES-RKDXNWHRSA-N 0 1 244.335 2.270 20 0 BEADMN COCc1cnc(CN[C@H]2CC[C@@H](F)C2)s1 ZINC000336691076 385727631 /nfs/dbraw/zinc/72/76/31/385727631.db2.gz KMOHWINQBFOLES-BDAKNGLRSA-N 0 1 244.335 2.270 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000270713965 385733384 /nfs/dbraw/zinc/73/33/84/385733384.db2.gz MGGODVJHYJYKHH-SECBINFHSA-N 0 1 233.319 2.107 20 0 BEADMN COCC[C@H](NCc1csnn1)C(C)(C)C ZINC000309672796 385786203 /nfs/dbraw/zinc/78/62/03/385786203.db2.gz WQWQTSGCXCDDEI-JTQLQIEISA-N 0 1 243.376 2.079 20 0 BEADMN CN(Cc1ncc(Cl)n1C)C[Si](C)(C)C ZINC000183258102 385747029 /nfs/dbraw/zinc/74/70/29/385747029.db2.gz BPLWVPCRFHJBCB-UHFFFAOYSA-N 0 1 245.830 2.383 20 0 BEADMN Cc1ccoc1CNCc1cccc(CO)c1 ZINC000230656823 385747542 /nfs/dbraw/zinc/74/75/42/385747542.db2.gz CLVQOIDFWRJSCX-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN COc1ccc([C@@H](C)CN2CCOCC2)cc1 ZINC000183370079 385755459 /nfs/dbraw/zinc/75/54/59/385755459.db2.gz MJVIZETUFXMCBS-LBPRGKRZSA-N 0 1 235.327 2.131 20 0 BEADMN CO[C@H]1CCN(Cc2cncs2)[C@@H](C)C1 ZINC000282409574 385757509 /nfs/dbraw/zinc/75/75/09/385757509.db2.gz SCJZQJREQKBBBA-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1ccc([C@H](O)CN[C@@H](C)c2ccccn2)o1 ZINC000270921991 385760457 /nfs/dbraw/zinc/76/04/57/385760457.db2.gz OCFGXSWAPCEJLK-WCQYABFASA-N 0 1 246.310 2.367 20 0 BEADMN O=C(CCCC1CCCC1)NCc1cnc[nH]1 ZINC000331588736 385771750 /nfs/dbraw/zinc/77/17/50/385771750.db2.gz AVZZYIDSEACAJJ-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN CCc1ccc([C@@H](C)NC[C@@H](O)C(F)F)o1 ZINC000309657134 385775783 /nfs/dbraw/zinc/77/57/83/385775783.db2.gz QFXZAQLJGLYKPV-VXNVDRBHSA-N 0 1 233.258 2.119 20 0 BEADMN CCc1ccc([C@H](C)NC[C@H](O)C(F)F)o1 ZINC000309657126 385777283 /nfs/dbraw/zinc/77/72/83/385777283.db2.gz QFXZAQLJGLYKPV-CBAPKCEASA-N 0 1 233.258 2.119 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC(C)(C)CO ZINC000258838095 385779717 /nfs/dbraw/zinc/77/97/17/385779717.db2.gz MUOUDYKOVDRTKW-UHFFFAOYSA-N 0 1 243.297 2.415 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cccc2[nH]cnc21 ZINC000293978255 385779764 /nfs/dbraw/zinc/77/97/64/385779764.db2.gz KVLNNESMNZPLGQ-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN Cc1nc(CN[C@H](CCO)C(C)(C)C)cs1 ZINC000183654011 385781038 /nfs/dbraw/zinc/78/10/38/385781038.db2.gz GFWMLBCENNWRFZ-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN CCN(CC)CC(=O)Nc1c(C)cccc1F ZINC000282726680 385783323 /nfs/dbraw/zinc/78/33/23/385783323.db2.gz LYUXWMOUIYRKMH-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC(C)CCOCCN1C[C@H](C)OC[C@H]1C ZINC000056283590 385725483 /nfs/dbraw/zinc/72/54/83/385725483.db2.gz CVMDTRDLMKNNGN-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN c1coc(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC000271183653 385799509 /nfs/dbraw/zinc/79/95/09/385799509.db2.gz LKQSPHXXKWYCFH-ZDUSSCGKSA-N 0 1 244.294 2.328 20 0 BEADMN COC[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000271182248 385800221 /nfs/dbraw/zinc/80/02/21/385800221.db2.gz MIBVHXSJQRXKRM-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN CC(C)C1(CN2C[C@H](C)S(=O)[C@@H](C)C2)CC1 ZINC000602634991 385811534 /nfs/dbraw/zinc/81/15/34/385811534.db2.gz RENBUOOXEFMPIZ-RYUDHWBXSA-N 0 1 243.416 2.264 20 0 BEADMN CCN1CCN(C(=O)CCCC2CC2)C[C@@H]1C ZINC000643235707 385857166 /nfs/dbraw/zinc/85/71/66/385857166.db2.gz FIELTUHPPQQIPQ-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](NCCNc1ccccn1)c1nccs1 ZINC000271363028 385820877 /nfs/dbraw/zinc/82/08/77/385820877.db2.gz FOQRQQIKJOAMGH-SNVBAGLBSA-N 0 1 248.355 2.301 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@H]1CF ZINC000294209661 385822061 /nfs/dbraw/zinc/82/20/61/385822061.db2.gz VNFCFWUZOWXQCM-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN Cc1cncc(CNCc2cncs2)c1 ZINC000122895618 385824020 /nfs/dbraw/zinc/82/40/20/385824020.db2.gz PJRCYIPVBRFUPC-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CCN(CCSC(C)C)Cc1cnn(C)c1 ZINC000283664769 385827008 /nfs/dbraw/zinc/82/70/08/385827008.db2.gz UWCZAHXKBCBGJY-UHFFFAOYSA-N 0 1 241.404 2.384 20 0 BEADMN CO[C@H](CN1C[C@H](C)OC[C@H]1C)c1ccccc1 ZINC000283642702 385827486 /nfs/dbraw/zinc/82/74/86/385827486.db2.gz CIACASOWRGRXRV-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000283793185 385833811 /nfs/dbraw/zinc/83/38/11/385833811.db2.gz AJXUXXYGVUKCQP-NWDGAFQWSA-N 0 1 247.342 2.156 20 0 BEADMN FC1(F)CCC(CNCc2csnn2)CC1 ZINC000336718631 385843152 /nfs/dbraw/zinc/84/31/52/385843152.db2.gz XTFDDXLCWMCLFW-UHFFFAOYSA-N 0 1 247.314 2.453 20 0 BEADMN CC[C@H](NCCF)c1ccc2c(c1)OCCO2 ZINC000271657127 385844261 /nfs/dbraw/zinc/84/42/61/385844261.db2.gz JMEXBQOKJLGODR-NSHDSACASA-N 0 1 239.290 2.468 20 0 BEADMN CO[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000283994327 385844891 /nfs/dbraw/zinc/84/48/91/385844891.db2.gz NDSUHFXRGFUGGN-GUTXKFCHSA-N 0 1 249.354 2.483 20 0 BEADMN CCCCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000284035974 385847643 /nfs/dbraw/zinc/84/76/43/385847643.db2.gz JNJSWYUZTLXTKS-GFCCVEGCSA-N 0 1 245.330 2.069 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](CC)CCc1cccs1 ZINC000262460848 385849588 /nfs/dbraw/zinc/84/95/88/385849588.db2.gz VUBZWDJTZBZOMQ-NSHDSACASA-N 0 1 241.356 2.476 20 0 BEADMN CC1(C)CCCN1C(=O)c1ccc2cncn2c1 ZINC000284069137 385849778 /nfs/dbraw/zinc/84/97/78/385849778.db2.gz RRLGDONKUNGLTM-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN CCC[C@H](C)NCc1nnc(CC)s1 ZINC000336656717 385789551 /nfs/dbraw/zinc/78/95/51/385789551.db2.gz OSPLGDLRMSRVAS-QMMMGPOBSA-N 0 1 213.350 2.379 20 0 BEADMN CCC1CCN(Cc2ccn(C)n2)CC1 ZINC000271120336 385789734 /nfs/dbraw/zinc/78/97/34/385789734.db2.gz JMEAMPJDMJPFRW-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CCC1CCN(Cc2cnc(N(C)C)nc2)CC1 ZINC000271143552 385792016 /nfs/dbraw/zinc/79/20/16/385792016.db2.gz YTBVNRQLEMTRGC-UHFFFAOYSA-N 0 1 248.374 2.165 20 0 BEADMN Cc1nc(CNC(C)(C)C(C)(C)O)c(C)s1 ZINC000309689379 385792430 /nfs/dbraw/zinc/79/24/30/385792430.db2.gz IPJCVJNFHUIEBK-UHFFFAOYSA-N 0 1 242.388 2.399 20 0 BEADMN Cc1nccc(NCCC[C@H](C)O)c1Cl ZINC000336707835 385795196 /nfs/dbraw/zinc/79/51/96/385795196.db2.gz RZXCVWYNQOTEKF-QMMMGPOBSA-N 0 1 228.723 2.038 20 0 BEADMN Cc1nc(CN[C@@H](CO)CC2CCC2)cs1 ZINC000309697639 385796909 /nfs/dbraw/zinc/79/69/09/385796909.db2.gz LLPMWWABKVUNDZ-LLVKDONJSA-N 0 1 240.372 2.092 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)[C@@H]2CC2(C)C)n1 ZINC000336740196 385797531 /nfs/dbraw/zinc/79/75/31/385797531.db2.gz MDEYMQLZBSNNBY-NRPADANISA-N 0 1 223.320 2.463 20 0 BEADMN C[C@@H](NC(=O)C[C@@H]1C=CCC1)C1=CC[N@@H+](C)CC1 ZINC000272733016 385928529 /nfs/dbraw/zinc/92/85/29/385928529.db2.gz LUIVTZJSXWJCOW-CHWSQXEVSA-N 0 1 248.370 2.109 20 0 BEADMN CCCN(C)C(=O)[C@H](N)c1cccc(Cl)c1 ZINC000647921461 385891754 /nfs/dbraw/zinc/89/17/54/385891754.db2.gz SXQIHSZKWWQXFQ-LLVKDONJSA-N 0 1 240.734 2.208 20 0 BEADMN C[N@@H+](Cc1cc(F)cc(F)c1)CC(C)(C)CO ZINC000294764339 385893193 /nfs/dbraw/zinc/89/31/93/385893193.db2.gz JKRNCLKTXZMSMU-UHFFFAOYSA-N 0 1 243.297 2.415 20 0 BEADMN COc1nccc(C[N@H+]2C[C@H](C)CC2(C)C)n1 ZINC000294763976 385893477 /nfs/dbraw/zinc/89/34/77/385893477.db2.gz IYZBBTFJMGFNMC-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CN(Cc1cccn1C)Cc1ccc(O)cc1 ZINC000272407685 385900066 /nfs/dbraw/zinc/90/00/66/385900066.db2.gz KNSFZWKLHIDBLD-UHFFFAOYSA-N 0 1 230.311 2.363 20 0 BEADMN Fc1cccc(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294821276 385900598 /nfs/dbraw/zinc/90/05/98/385900598.db2.gz OWECCAIFTYCRBB-UHFFFAOYSA-N 0 1 246.289 2.111 20 0 BEADMN CC(C)c1nc(CNCc2ccccc2)n[nH]1 ZINC000294853238 385903274 /nfs/dbraw/zinc/90/32/74/385903274.db2.gz SFQVKJRRSCCJDA-UHFFFAOYSA-N 0 1 230.315 2.218 20 0 BEADMN COC1(CNCc2ncc(C)s2)CCC1 ZINC000394722567 385904935 /nfs/dbraw/zinc/90/49/35/385904935.db2.gz LDOXPXZXRXHHOF-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@@H](O)C2)o1 ZINC000294876352 385907108 /nfs/dbraw/zinc/90/71/08/385907108.db2.gz PSILAZRLLIHIMV-SVDPJWKOSA-N 0 1 221.300 2.016 20 0 BEADMN Cc1sccc1CN1CCN(C2CC2)CC1 ZINC000294872969 385907270 /nfs/dbraw/zinc/90/72/70/385907270.db2.gz KGZALWQHSAOEJX-UHFFFAOYSA-N 0 1 236.384 2.337 20 0 BEADMN COc1nccnc1CN([C@@H](C)C1CC1)C1CC1 ZINC000294889557 385909663 /nfs/dbraw/zinc/90/96/63/385909663.db2.gz RJFMREGTKULRGN-JTQLQIEISA-N 0 1 247.342 2.248 20 0 BEADMN COCC[C@H](NCc1cc[nH]c1)c1ccco1 ZINC000272544860 385909963 /nfs/dbraw/zinc/90/99/63/385909963.db2.gz LPFRKNHJVSCVRS-LBPRGKRZSA-N 0 1 234.299 2.475 20 0 BEADMN CCCCN(C)C(=O)[C@H](N)c1ccccc1C ZINC000294901736 385911873 /nfs/dbraw/zinc/91/18/73/385911873.db2.gz ZHJUDVGUAGVERP-CYBMUJFWSA-N 0 1 234.343 2.253 20 0 BEADMN CCCCN(C)C(=O)[C@@H](N)c1ccccc1C ZINC000294901737 385911982 /nfs/dbraw/zinc/91/19/82/385911982.db2.gz ZHJUDVGUAGVERP-ZDUSSCGKSA-N 0 1 234.343 2.253 20 0 BEADMN C[C@@H]1CCC[C@H](Cn2ccnc2CN)C1 ZINC000308938260 385912231 /nfs/dbraw/zinc/91/22/31/385912231.db2.gz UDSYLEVPORWVFI-MNOVXSKESA-N 0 1 207.321 2.168 20 0 BEADMN c1nc(CN[C@@H]2CCC23CCCC3)co1 ZINC000336768002 385921190 /nfs/dbraw/zinc/92/11/90/385921190.db2.gz UBZSJAAJQRXXPP-LLVKDONJSA-N 0 1 206.289 2.487 20 0 BEADMN CCC1CCN(Cc2ccc(OC)nn2)CC1 ZINC000338231963 385922230 /nfs/dbraw/zinc/92/22/30/385922230.db2.gz DVPWCNRNPMIWTO-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CCC1 ZINC000335034078 385922898 /nfs/dbraw/zinc/92/28/98/385922898.db2.gz NNKOMBRHSQGXPW-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC/C=C/CNCc1cc(F)ncc1F ZINC000294946135 385924362 /nfs/dbraw/zinc/92/43/62/385924362.db2.gz HGHBDGYILRHERQ-ONEGZZNKSA-N 0 1 212.243 2.416 20 0 BEADMN c1[nH]nc2c1CCN([C@H]1C[C@H]1c1ccccc1)C2 ZINC000643375260 385924696 /nfs/dbraw/zinc/92/46/96/385924696.db2.gz UEQGGPJLALPSKM-ZFWWWQNUSA-N 0 1 239.322 2.324 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCC2CC2)n1 ZINC000342029612 385925074 /nfs/dbraw/zinc/92/50/74/385925074.db2.gz SRTSBDBEQWNDEU-JTQLQIEISA-N 0 1 223.320 2.458 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)[nH]1 ZINC000272739264 385927337 /nfs/dbraw/zinc/92/73/37/385927337.db2.gz KMRFKIXEFXCVSW-VHSXEESVSA-N 0 1 236.315 2.032 20 0 BEADMN CN(Cc1cc[nH]n1)C1Cc2ccccc2C1 ZINC000284275940 385860160 /nfs/dbraw/zinc/86/01/60/385860160.db2.gz NCTVSJFIGWPELM-UHFFFAOYSA-N 0 1 227.311 2.009 20 0 BEADMN C[C@H](NC(=O)C[C@H]1C=CCC1)C1=CC[N@@H+](C)CC1 ZINC000272733051 385927713 /nfs/dbraw/zinc/92/77/13/385927713.db2.gz LUIVTZJSXWJCOW-STQMWFEESA-N 0 1 248.370 2.109 20 0 BEADMN CC(C)=CC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272059159 385871901 /nfs/dbraw/zinc/87/19/01/385871901.db2.gz AFDUQGSONYHCJT-UHFFFAOYSA-N 0 1 247.342 2.390 20 0 BEADMN CCCCN(C)C(=O)c1ccc2cncn2c1 ZINC000284486667 385873084 /nfs/dbraw/zinc/87/30/84/385873084.db2.gz LBRXPGHEWUPOEO-UHFFFAOYSA-N 0 1 231.299 2.206 20 0 BEADMN FC(F)(F)CCCCN1CCn2cncc2C1 ZINC000647940511 385878201 /nfs/dbraw/zinc/87/82/01/385878201.db2.gz BVMIPDGDDYEZHL-UHFFFAOYSA-N 0 1 247.264 2.431 20 0 BEADMN C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1F ZINC000338014960 385879325 /nfs/dbraw/zinc/87/93/25/385879325.db2.gz INELLASUAAKVOU-MNOVXSKESA-N 0 1 249.333 2.108 20 0 BEADMN Cc1cc(C2CCN(C(=O)CC(C)C)CC2)n[nH]1 ZINC000272163233 385880000 /nfs/dbraw/zinc/88/00/00/385880000.db2.gz XNZQPRIYMDEWQW-UHFFFAOYSA-N 0 1 249.358 2.470 20 0 BEADMN CCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000294664626 385880884 /nfs/dbraw/zinc/88/08/84/385880884.db2.gz ACNPUFNNTLXKBW-WCQYABFASA-N 0 1 249.358 2.166 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)[nH]1 ZINC000272739257 385928512 /nfs/dbraw/zinc/92/85/12/385928512.db2.gz KMRFKIXEFXCVSW-NXEZZACHSA-N 0 1 236.315 2.032 20 0 BEADMN CN(Cc1ccc(Cl)cn1)[C@H]1CCCOC1 ZINC000335017221 385976242 /nfs/dbraw/zinc/97/62/42/385976242.db2.gz PTOVEULOMGUDOZ-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1cnccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414621253 385977227 /nfs/dbraw/zinc/97/72/27/385977227.db2.gz LRVMIFZYAALAKC-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN COC(=O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000338353138 385977315 /nfs/dbraw/zinc/97/73/15/385977315.db2.gz HJIQWPPAQRWGCP-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000338353138 385977319 /nfs/dbraw/zinc/97/73/19/385977319.db2.gz HJIQWPPAQRWGCP-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cnccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414621255 385977802 /nfs/dbraw/zinc/97/78/02/385977802.db2.gz LRVMIFZYAALAKC-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN CC(C)CCCc1nc(C2(N)CCC2)no1 ZINC000414621683 385980070 /nfs/dbraw/zinc/98/00/70/385980070.db2.gz AYOUPADEYMLSRX-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000414132618 385981566 /nfs/dbraw/zinc/98/15/66/385981566.db2.gz AUVDTARVJWWVPE-WUHRBBMRSA-N 0 1 249.358 2.435 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000414132615 385981613 /nfs/dbraw/zinc/98/16/13/385981613.db2.gz AUVDTARVJWWVPE-FVCCEPFGSA-N 0 1 249.358 2.435 20 0 BEADMN NC1(c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)CCCC1 ZINC000414623384 385982611 /nfs/dbraw/zinc/98/26/11/385982611.db2.gz DPCQADWZMCRSAQ-VWYCJHECSA-N 0 1 247.342 2.386 20 0 BEADMN CCC[C@H](N[C@@H](C)C(=O)NCC)c1cccnc1 ZINC000273383777 385995054 /nfs/dbraw/zinc/99/50/54/385995054.db2.gz IUFYZRAGUPIFAK-AAEUAGOBSA-N 0 1 249.358 2.037 20 0 BEADMN CCCCCNC(=O)C[N@@H+](C)CC1CCC1 ZINC000111696591 385985522 /nfs/dbraw/zinc/98/55/22/385985522.db2.gz SMQGUKTUZJBTDO-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000309141761 385986965 /nfs/dbraw/zinc/98/69/65/385986965.db2.gz ZIUWIWWFNFJPIC-QJPTWQEYSA-N 0 1 227.348 2.465 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@H]2CC)n1 ZINC000286050525 385990945 /nfs/dbraw/zinc/99/09/45/385990945.db2.gz ISIXOCQDLLVMPY-ZYHUDNBSSA-N 0 1 249.358 2.413 20 0 BEADMN CC[C@@H](CNCc1nc2ccccc2n1C)OC ZINC000289883324 385932695 /nfs/dbraw/zinc/93/26/95/385932695.db2.gz SAQVSIAPHZFUCT-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)[C@@H](N[C@@H]1C=CCCC1)c1nncn1C ZINC000285527328 385935883 /nfs/dbraw/zinc/93/58/83/385935883.db2.gz ZQBAUHIOXJJROY-VXGBXAGGSA-N 0 1 234.347 2.211 20 0 BEADMN CC/C=C\CCN1CCN(CC(F)F)CC1 ZINC000342180422 385939319 /nfs/dbraw/zinc/93/93/19/385939319.db2.gz AXGABKXLRAODDM-ARJAWSKDSA-N 0 1 232.318 2.225 20 0 BEADMN CO[C@@H](C)CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000272840983 385942014 /nfs/dbraw/zinc/94/20/14/385942014.db2.gz OQJGCDDUWCDZMO-VIFPVBQESA-N 0 1 247.298 2.317 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccsn2)n1 ZINC000414613039 385942799 /nfs/dbraw/zinc/94/27/99/385942799.db2.gz DLIPETTWRJLIQQ-SSDOTTSWSA-N 0 1 238.316 2.239 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccsn2)n1 ZINC000414613040 385942952 /nfs/dbraw/zinc/94/29/52/385942952.db2.gz DLIPETTWRJLIQQ-ZETCQYMHSA-N 0 1 238.316 2.239 20 0 BEADMN CSC[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414067363 385944721 /nfs/dbraw/zinc/94/47/21/385944721.db2.gz ANOVEAWBRITHSE-VHSXEESVSA-N 0 1 239.388 2.231 20 0 BEADMN CCC[C@H](O)CN[C@@H](COC)c1ccc(C)o1 ZINC000295014916 385944958 /nfs/dbraw/zinc/94/49/58/385944958.db2.gz PSNRMHADUPUPHQ-RYUDHWBXSA-N 0 1 241.331 2.026 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1ccn(C)n1 ZINC000414076327 385947337 /nfs/dbraw/zinc/94/73/37/385947337.db2.gz OORSRXFYCMBONL-LLVKDONJSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@H](CF)NCc1cnn(Cc2ccccc2)c1 ZINC000342201939 385955362 /nfs/dbraw/zinc/95/53/62/385955362.db2.gz MQHQYUVKSFLEOL-GFCCVEGCSA-N 0 1 247.317 2.379 20 0 BEADMN FC(F)[C@H]1C[C@H]1NCc1cn2ccccc2n1 ZINC000342201798 385956682 /nfs/dbraw/zinc/95/66/82/385956682.db2.gz GIPXAAFMKCGVOY-VHSXEESVSA-N 0 1 237.253 2.078 20 0 BEADMN COCC(C)(C)c1nc([C@H](N)CC(C)C)no1 ZINC000414617770 385961623 /nfs/dbraw/zinc/96/16/23/385961623.db2.gz LWDMEABIMYTHBO-SECBINFHSA-N 0 1 241.335 2.040 20 0 BEADMN CCCCN[C@H](CO)c1c(F)cccc1F ZINC000336746841 385962452 /nfs/dbraw/zinc/96/24/52/385962452.db2.gz WXFJAZYTWFFFJK-LLVKDONJSA-N 0 1 229.270 2.388 20 0 BEADMN Cc1ccc([C@H](C)N[C@H]2C=C[C@@H](CO)C2)o1 ZINC000345053578 385963530 /nfs/dbraw/zinc/96/35/30/385963530.db2.gz UWIGKYSDKXZJMJ-TUAOUCFPSA-N 0 1 221.300 2.176 20 0 BEADMN C[C@@H](CN(C)Cc1ccno1)c1nccs1 ZINC000273081777 385966243 /nfs/dbraw/zinc/96/62/43/385966243.db2.gz QTJBDBDQTRUEHJ-VIFPVBQESA-N 0 1 237.328 2.367 20 0 BEADMN CC(C)CCN(C(=O)CN(C)C)C1CCCC1 ZINC000338337841 385969782 /nfs/dbraw/zinc/96/97/82/385969782.db2.gz DHFDXYYJGUSHFJ-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C3CCCC3)C2)n[nH]1 ZINC000335014786 385970879 /nfs/dbraw/zinc/97/08/79/385970879.db2.gz RWIHLSHQWCIIPL-GFCCVEGCSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@H](CO)N(C)Cc1cc(F)c(F)cc1F ZINC000295126582 385973567 /nfs/dbraw/zinc/97/35/67/385973567.db2.gz OAFUYNKPXJSKBC-SECBINFHSA-N 0 1 247.260 2.307 20 0 BEADMN CC[C@H](SC)c1nc(C2(N)CCC2)no1 ZINC000414628182 385997662 /nfs/dbraw/zinc/99/76/62/385997662.db2.gz NQDNEEPIYNEHTI-ZETCQYMHSA-N 0 1 227.333 2.222 20 0 BEADMN CO[C@H](C)CN(C)Cc1cccc(C(C)=O)c1 ZINC000295268553 386002445 /nfs/dbraw/zinc/00/24/45/386002445.db2.gz JHRSVJHUHLCRQT-LLVKDONJSA-N 0 1 235.327 2.356 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)c1ccccc1C ZINC000295263969 386003024 /nfs/dbraw/zinc/00/30/24/386003024.db2.gz VEFZYVYUHYZOLS-BNOWGMLFSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@H](F)CN[C@H](CO)c1sccc1C ZINC000336770238 386010605 /nfs/dbraw/zinc/01/06/05/386010605.db2.gz VLFJBNQAQIHHNS-VHSXEESVSA-N 0 1 231.336 2.428 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)C1CCCC1 ZINC000273535872 386012175 /nfs/dbraw/zinc/01/21/75/386012175.db2.gz FAPQYZFIQUWOAH-UHFFFAOYSA-N 0 1 247.342 2.162 20 0 BEADMN CC[C@@H](F)CN[C@H](CO)c1sccc1C ZINC000336770236 386012243 /nfs/dbraw/zinc/01/22/43/386012243.db2.gz VLFJBNQAQIHHNS-NXEZZACHSA-N 0 1 231.336 2.428 20 0 BEADMN CO[C@@H](CNCc1csc(C)n1)C(C)C ZINC000336752302 386014940 /nfs/dbraw/zinc/01/49/40/386014940.db2.gz GDBSBNAODOHJDY-NSHDSACASA-N 0 1 228.361 2.212 20 0 BEADMN C[C@@H]1C[C@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000335070935 386018678 /nfs/dbraw/zinc/01/86/78/386018678.db2.gz JPTBLWJJRWYETQ-ZJUUUORDSA-N 0 1 235.331 2.386 20 0 BEADMN NC1(c2noc([C@@H]3CC3(F)F)n2)CCCCC1 ZINC000335070542 386018847 /nfs/dbraw/zinc/01/88/47/386018847.db2.gz CCHRVUNGLWELLN-ZETCQYMHSA-N 0 1 243.257 2.310 20 0 BEADMN CSCCc1nc([C@H](N)CC(C)C)no1 ZINC000336752971 386020134 /nfs/dbraw/zinc/02/01/34/386020134.db2.gz WDDKRLCOJUGSRO-MRVPVSSYSA-N 0 1 229.349 2.021 20 0 BEADMN CCN(CCCO)Cc1cccc(O)c1Cl ZINC000295365454 386020478 /nfs/dbraw/zinc/02/04/78/386020478.db2.gz OCCDLXVTXOYSSJ-UHFFFAOYSA-N 0 1 243.734 2.250 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)CCC1CC1 ZINC000273662046 386021527 /nfs/dbraw/zinc/02/15/27/386021527.db2.gz IAPRGEJTQNGFKU-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN COc1cnccc1[C@@H](C)NCc1ccncc1 ZINC000189564161 386025256 /nfs/dbraw/zinc/02/52/56/386025256.db2.gz PDKGLXQQNJNFPM-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN CCc1cc(C(=O)N2CC3(C2)CCCCC3)n[nH]1 ZINC000273752043 386030652 /nfs/dbraw/zinc/03/06/52/386030652.db2.gz NOHYKLGINLKTRM-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C=C2CCCCC2)n[nH]1 ZINC000286374323 386031250 /nfs/dbraw/zinc/03/12/50/386031250.db2.gz MUZFJCZRSGWSSY-SECBINFHSA-N 0 1 248.330 2.181 20 0 BEADMN CC[C@H]1COCCN1C[C@@H](OC)c1ccccc1 ZINC000338544528 386035073 /nfs/dbraw/zinc/03/50/73/386035073.db2.gz OSTPICRHFLDVRC-LSDHHAIUSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@@H](N[C@@H]1CCSC1)c1cscn1 ZINC000222148288 386036392 /nfs/dbraw/zinc/03/63/92/386036392.db2.gz OOLSLJDGWXEFDJ-HTQZYQBOSA-N 0 1 214.359 2.299 20 0 BEADMN C[C@H](O)C[C@H](C)NCc1c(F)cccc1F ZINC000164564169 386037093 /nfs/dbraw/zinc/03/70/93/386037093.db2.gz QKLOHOPJNKELQQ-IUCAKERBSA-N 0 1 229.270 2.214 20 0 BEADMN COc1nccc(CN2CC[C@H](C)C(C)(C)C2)n1 ZINC000295465238 386037912 /nfs/dbraw/zinc/03/79/12/386037912.db2.gz RCNGEIIAHZNJRY-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000286465575 386040542 /nfs/dbraw/zinc/04/05/42/386040542.db2.gz SZEVJSRBKNQGGS-GXSJLCMTSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)CCC(C)(C)C)n[nH]1 ZINC000286462081 386042228 /nfs/dbraw/zinc/04/22/28/386042228.db2.gz SUSMLNHTOOOQNP-MRVPVSSYSA-N 0 1 238.335 2.117 20 0 BEADMN CCC1CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000335075081 386042409 /nfs/dbraw/zinc/04/24/09/386042409.db2.gz FSJVHPXJWDNTKX-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)c1cn[nH]c1 ZINC000222476666 386046453 /nfs/dbraw/zinc/04/64/53/386046453.db2.gz DODYSNJDWWJRBO-VHSXEESVSA-N 0 1 216.288 2.217 20 0 BEADMN C[C@@H](N[C@H](C)c1ccncc1)c1cn[nH]c1 ZINC000222476773 386047839 /nfs/dbraw/zinc/04/78/39/386047839.db2.gz DODYSNJDWWJRBO-NXEZZACHSA-N 0 1 216.288 2.217 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@](C)(F)C1 ZINC000338565023 386054352 /nfs/dbraw/zinc/05/43/52/386054352.db2.gz KQORJPJOVKTKCN-LBPRGKRZSA-N 0 1 231.311 2.010 20 0 BEADMN CCCCC[S@@](=O)[C@@H](C)c1n[nH]c(C)n1 ZINC000414246862 386057793 /nfs/dbraw/zinc/05/77/93/386057793.db2.gz NRUHVTOOYLUBRG-VXJOIVPMSA-N 0 1 229.349 2.113 20 0 BEADMN C[C@H](NCCCO)c1ncc(-c2ccccc2)o1 ZINC000273382605 385995433 /nfs/dbraw/zinc/99/54/33/385995433.db2.gz NFINQQREHIXFRN-NSHDSACASA-N 0 1 246.310 2.375 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2CCCOC2)o1 ZINC000426339775 386102754 /nfs/dbraw/zinc/10/27/54/386102754.db2.gz XIWIVYXEMVBNQD-LLVKDONJSA-N 0 1 238.331 2.204 20 0 BEADMN Cc1noc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000336006015 386119201 /nfs/dbraw/zinc/11/92/01/386119201.db2.gz HRIQUCPLJOCVHK-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@@H](C)NCc1nnc(C2CC2)s1 ZINC000414324257 386121485 /nfs/dbraw/zinc/12/14/85/386121485.db2.gz KLKXLIHCZQSCIN-SSDOTTSWSA-N 0 1 211.334 2.304 20 0 BEADMN CC(C)CC[C@@H](C)NCc1nc2ncccn2n1 ZINC000414252760 386060234 /nfs/dbraw/zinc/06/02/34/386060234.db2.gz BBKDCEGGQFWYTL-LLVKDONJSA-N 0 1 247.346 2.039 20 0 BEADMN Cc1cncc(CN(C)[C@@H]2CCCOC2)c1 ZINC000334442487 386060690 /nfs/dbraw/zinc/06/06/90/386060690.db2.gz LRLGPOHSISTWEI-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cn1cc(CNC2CC3(C2)CCCCC3)nn1 ZINC000643292229 386074821 /nfs/dbraw/zinc/07/48/21/386074821.db2.gz ROWPPYXDIGIVEB-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1ncc(C2CC2)o1 ZINC000334447586 386075549 /nfs/dbraw/zinc/07/55/49/386075549.db2.gz QIIFTLRCZCCMSM-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1cc(CN(C)C(C)(C)C(N)=O)c(C)s1 ZINC000295745393 386078865 /nfs/dbraw/zinc/07/88/65/386078865.db2.gz QEHPKGANGCOOGK-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN CC(C)n1ncnc1CN1CC2CCC1CC2 ZINC000366101427 386083248 /nfs/dbraw/zinc/08/32/48/386083248.db2.gz AVQAYIGDLCKCAK-UHFFFAOYSA-N 0 1 234.347 2.233 20 0 BEADMN CSC[C@@H](C)NCc1cc(F)ncc1F ZINC000295774217 386084815 /nfs/dbraw/zinc/08/48/15/386084815.db2.gz QZEHKEJAGRRYJN-SSDOTTSWSA-N 0 1 232.299 2.201 20 0 BEADMN COc1nccnc1CNCC1(CC(C)C)CC1 ZINC000295808220 386087495 /nfs/dbraw/zinc/08/74/95/386087495.db2.gz TWUCFUDFAQUITD-UHFFFAOYSA-N 0 1 249.358 2.401 20 0 BEADMN COC1(C)CCN([C@H](C)c2cnccn2)CC1 ZINC000274345537 386092133 /nfs/dbraw/zinc/09/21/33/386092133.db2.gz QKOAFKYDZGAVQB-LLVKDONJSA-N 0 1 235.331 2.039 20 0 BEADMN CCC[C@@H](O)CN[C@H](C)c1ncc(C)s1 ZINC000295824817 386092668 /nfs/dbraw/zinc/09/26/68/386092668.db2.gz VOUMWHKCZDBOJW-NXEZZACHSA-N 0 1 228.361 2.263 20 0 BEADMN Cn1nccc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000335131557 386092738 /nfs/dbraw/zinc/09/27/38/386092738.db2.gz WZVIKHKBLJHJDE-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN CN(CCc1ccccn1)Cc1cncc(F)c1 ZINC000274372696 386093598 /nfs/dbraw/zinc/09/35/98/386093598.db2.gz QNJKDEXVDRYEGN-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN Cc1ccc(CN2CC[N@H+](C)CC[C@@H]2C)o1 ZINC000334453255 386094883 /nfs/dbraw/zinc/09/48/83/386094883.db2.gz DEZNSXITUNTUHQ-NSHDSACASA-N 0 1 222.332 2.114 20 0 BEADMN C[C@H]1CCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425452446 386100398 /nfs/dbraw/zinc/10/03/98/386100398.db2.gz XFYNTTBMJXCILX-NKWVEPMBSA-N 0 1 231.246 2.285 20 0 BEADMN CC(=O)c1cccc(C[N@@H+](C)CCCCO)c1 ZINC000296168998 386144452 /nfs/dbraw/zinc/14/44/52/386144452.db2.gz ZGYZDXWEXFBJHX-UHFFFAOYSA-N 0 1 235.327 2.094 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CS3)nc1 ZINC000335158458 386153348 /nfs/dbraw/zinc/15/33/48/386153348.db2.gz YGQQTEHTOHVZTD-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN CC[C@@H](N[C@@H](C)C(=O)NC(C)C)c1ccncc1 ZINC000414351723 386154353 /nfs/dbraw/zinc/15/43/53/386154353.db2.gz WARBIEBDQKZCMG-WCQYABFASA-N 0 1 249.358 2.035 20 0 BEADMN Cc1nc(C)c(CN2C[C@@H]3C[C@H]2CS3)s1 ZINC000335158986 386154865 /nfs/dbraw/zinc/15/48/65/386154865.db2.gz RWQYVRGISYZDAW-UWVGGRQHSA-N 0 1 240.397 2.450 20 0 BEADMN C[C@H](CC1CCCCC1)C(=O)N1CCNCC1 ZINC000077384069 386159553 /nfs/dbraw/zinc/15/95/53/386159553.db2.gz DQIYEWQGCVMKFH-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCCC[C@@H]1C ZINC000346137771 386165934 /nfs/dbraw/zinc/16/59/34/386165934.db2.gz JAFTZUCDQIHCMV-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN CS[C@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000296374282 386168143 /nfs/dbraw/zinc/16/81/43/386168143.db2.gz RRMMQICYRPXKTB-NSHDSACASA-N 0 1 242.413 2.431 20 0 BEADMN CN(Cc1cncs1)[C@@H]1CCSC1 ZINC000130506502 386169453 /nfs/dbraw/zinc/16/94/53/386169453.db2.gz ZTGQAYLFUAORNX-MRVPVSSYSA-N 0 1 214.359 2.080 20 0 BEADMN CC[C@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000164657165 386176812 /nfs/dbraw/zinc/17/68/12/386176812.db2.gz SSSCOZXAPINMIK-VIFPVBQESA-N 0 1 223.320 2.386 20 0 BEADMN CCCN(CC(C)C)C(=O)c1ccc(CN)o1 ZINC000310401452 386178723 /nfs/dbraw/zinc/17/87/23/386178723.db2.gz GVGZZRJLFLVOQI-UHFFFAOYSA-N 0 1 238.331 2.247 20 0 BEADMN CCCCN(CCOC)Cc1cncc(F)c1 ZINC000275132628 386183554 /nfs/dbraw/zinc/18/35/54/386183554.db2.gz MESNSNFVDAUNRW-UHFFFAOYSA-N 0 1 240.322 2.469 20 0 BEADMN CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000263871916 386186301 /nfs/dbraw/zinc/18/63/01/386186301.db2.gz FYKAKYCQXUPDHS-CYBMUJFWSA-N 0 1 248.370 2.200 20 0 BEADMN CCN(C)C(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000263871916 386186305 /nfs/dbraw/zinc/18/63/05/386186305.db2.gz FYKAKYCQXUPDHS-CYBMUJFWSA-N 0 1 248.370 2.200 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(C)ncn2)CC1(C)C ZINC000296032695 386125979 /nfs/dbraw/zinc/12/59/79/386125979.db2.gz NQVNLFYQSWUICQ-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN COC[C@H](N[C@H](C)c1cc(C)on1)C1CC1 ZINC000282795690 386205584 /nfs/dbraw/zinc/20/55/84/386205584.db2.gz QLMAHJNUVYTDJJ-SKDRFNHKSA-N 0 1 224.304 2.059 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CCCCO1 ZINC000264268172 386223727 /nfs/dbraw/zinc/22/37/27/386223727.db2.gz LFIDZEOGCDLWJI-ZDUSSCGKSA-N 0 1 220.316 2.083 20 0 BEADMN COC1(CC[N@H+]2CCOC[C@H]2C2CC2)CCC1 ZINC000339058449 386226427 /nfs/dbraw/zinc/22/64/27/386226427.db2.gz MQAABRRBINYYQG-ZDUSSCGKSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H](CN(C)Cc1nnc[nH]1)c1ccc(F)cc1 ZINC000275745927 386235428 /nfs/dbraw/zinc/23/54/28/386235428.db2.gz RSUNCEUKUUVJTK-SNVBAGLBSA-N 0 1 248.305 2.179 20 0 BEADMN Cc1cc(CN[C@H]2CCCC(F)(F)C2)nn1C ZINC000414383173 386237740 /nfs/dbraw/zinc/23/77/40/386237740.db2.gz SUGWBAAFRJUMCY-JTQLQIEISA-N 0 1 243.301 2.396 20 0 BEADMN CC[C@H](O)CN1CCO[C@H](C2CCCCC2)C1 ZINC000339090913 386240315 /nfs/dbraw/zinc/24/03/15/386240315.db2.gz YUPQJCGNKUFSES-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H](O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000264452154 386240384 /nfs/dbraw/zinc/24/03/84/386240384.db2.gz OGWROYRUAKPSNJ-NSHDSACASA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H](O)CN(C)Cc1ccc(F)cc1F ZINC000264452154 386240389 /nfs/dbraw/zinc/24/03/89/386240389.db2.gz OGWROYRUAKPSNJ-NSHDSACASA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H](O)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000264483776 386241934 /nfs/dbraw/zinc/24/19/34/386241934.db2.gz VCNQKKCYZJEPDB-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN CCOc1ccccc1CN1CC(C(C)(C)O)C1 ZINC000297293199 386242120 /nfs/dbraw/zinc/24/21/20/386242120.db2.gz BBYRPPGCDZYXOL-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN CCOc1cccc(CN2CC(C(C)(C)O)C2)c1 ZINC000297326132 386243949 /nfs/dbraw/zinc/24/39/49/386243949.db2.gz DMCMTYVZLSLLSF-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN CCCCN(CC)Cc1nccc(C)n1 ZINC000336648577 386260940 /nfs/dbraw/zinc/26/09/40/386260940.db2.gz PDNCBXXBSABQKZ-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN Cc1cnc(CN(C)CC2CCC2)nc1 ZINC000336643101 386248840 /nfs/dbraw/zinc/24/88/40/386248840.db2.gz BNDSHJOMSOLEMT-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN CC[C@H](NC(=O)Cc1cc(C)n[nH]1)[C@@H]1CC1(C)C ZINC000416274314 386251914 /nfs/dbraw/zinc/25/19/14/386251914.db2.gz IQFMBIZQKSJEPJ-RYUDHWBXSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCN1C)[C@H]1CC1(C)C ZINC000416278007 386253833 /nfs/dbraw/zinc/25/38/33/386253833.db2.gz QFCBGSAKOFCHHR-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ncc(C(=O)N([C@H](C)C(C)C)C2CC2)[nH]1 ZINC000264626466 386254943 /nfs/dbraw/zinc/25/49/43/386254943.db2.gz MSENSISUIGBJLI-SECBINFHSA-N 0 1 235.331 2.367 20 0 BEADMN CO[C@H]1CN(Cc2cncc(F)c2)CC[C@H]1C ZINC000275963422 386255340 /nfs/dbraw/zinc/25/53/40/386255340.db2.gz KINCDZVGOWKWEK-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN CNCc1cn(C[C@H](C)C2CCCCC2)nn1 ZINC000310516777 386196022 /nfs/dbraw/zinc/19/60/22/386196022.db2.gz VNQDQIFTLJNBFW-NSHDSACASA-N 0 1 236.363 2.214 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC1(C)C ZINC000428101602 386196879 /nfs/dbraw/zinc/19/68/79/386196879.db2.gz KIDVMNWXYRDIEO-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCC2)c1 ZINC000263978045 386197742 /nfs/dbraw/zinc/19/77/42/386197742.db2.gz JQUYLQUXHQTSLJ-UHFFFAOYSA-N 0 1 229.283 2.107 20 0 BEADMN COc1ncncc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000648001293 386199210 /nfs/dbraw/zinc/19/92/10/386199210.db2.gz GEGWQPYSGBYGDN-DGCLKSJQSA-N 0 1 249.358 2.496 20 0 BEADMN C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCC1 ZINC000264988020 386292504 /nfs/dbraw/zinc/29/25/04/386292504.db2.gz BHMPWTAYMMAIHN-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN CCCCNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000298051155 386295370 /nfs/dbraw/zinc/29/53/70/386295370.db2.gz ZERHJWWVLBTAGG-ZDUSSCGKSA-N 0 1 248.370 2.423 20 0 BEADMN CC(C)Cc1ncc(CN(C)[C@H](C)CO)s1 ZINC000289389554 386295879 /nfs/dbraw/zinc/29/58/79/386295879.db2.gz DPLDNIAPJQAHEZ-SNVBAGLBSA-N 0 1 242.388 2.154 20 0 BEADMN c1c[nH]c(CN[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000164780749 386296419 /nfs/dbraw/zinc/29/64/19/386296419.db2.gz WAUPVDXODAMDJA-VXGBXAGGSA-N 0 1 219.332 2.468 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)o1 ZINC000336661185 386299298 /nfs/dbraw/zinc/29/92/98/386299298.db2.gz FKQIVASILUJYIQ-UTLUCORTSA-N 0 1 223.320 2.244 20 0 BEADMN Cc1noc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000336661057 386300989 /nfs/dbraw/zinc/30/09/89/386300989.db2.gz BPRXIBMODIBVRA-BBBLOLIVSA-N 0 1 223.320 2.244 20 0 BEADMN Cc1noc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000336661059 386301134 /nfs/dbraw/zinc/30/11/34/386301134.db2.gz BPRXIBMODIBVRA-KXUCPTDWSA-N 0 1 223.320 2.244 20 0 BEADMN COCCOC[C@@H](C)NCc1ccc(Cl)o1 ZINC000164807087 386324829 /nfs/dbraw/zinc/32/48/29/386324829.db2.gz FFOFQFHVDBUHPW-SECBINFHSA-N 0 1 247.722 2.074 20 0 BEADMN Cc1ccc(C[N@H+]2CCS[C@H](C)CC2)nn1 ZINC000335266218 386303765 /nfs/dbraw/zinc/30/37/65/386303765.db2.gz VWVPPGLPYLMCLV-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1ccc(CN2CCS[C@H](C)CC2)nn1 ZINC000335266218 386303771 /nfs/dbraw/zinc/30/37/71/386303771.db2.gz VWVPPGLPYLMCLV-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1ccc(CN2CCSCC[C@H]2C)nn1 ZINC000335266909 386305051 /nfs/dbraw/zinc/30/50/51/386305051.db2.gz ZSXLOLRXYDJRET-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN CC(C)(C)c1n[nH]c(SCc2ccno2)n1 ZINC000298190970 386306344 /nfs/dbraw/zinc/30/63/44/386306344.db2.gz CNJKOGBFZLFXAO-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN CCc1cccc(F)c1CN(C)CCOC ZINC000353363824 386307230 /nfs/dbraw/zinc/30/72/30/386307230.db2.gz MWCPCJQEJWODCB-UHFFFAOYSA-N 0 1 225.307 2.466 20 0 BEADMN CC(C)N(C)C(=O)[C@H](N)c1cccc(Cl)c1 ZINC000647886737 386307398 /nfs/dbraw/zinc/30/73/98/386307398.db2.gz OYKOLOANYCGIEP-LLVKDONJSA-N 0 1 240.734 2.207 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2ccsc2)c1C ZINC000265163423 386314113 /nfs/dbraw/zinc/31/41/13/386314113.db2.gz BMWWFBQIERUZLS-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1ccc(CN2CCC(C)CC2)nn1 ZINC000335260269 386315117 /nfs/dbraw/zinc/31/51/17/386315117.db2.gz FWKZHZIAUYVDGQ-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2cccs2)c1C ZINC000265213526 386319620 /nfs/dbraw/zinc/31/96/20/386319620.db2.gz FDWFZERUXFMGTO-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN C[N@@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CCOC1 ZINC000265260128 386321485 /nfs/dbraw/zinc/32/14/85/386321485.db2.gz YCZRSMXHXGUHKL-UKRRQHHQSA-N 0 1 247.338 2.021 20 0 BEADMN CN(C[C@H]1OCCc2ccccc21)[C@@H]1CCOC1 ZINC000265260128 386321489 /nfs/dbraw/zinc/32/14/89/386321489.db2.gz YCZRSMXHXGUHKL-UKRRQHHQSA-N 0 1 247.338 2.021 20 0 BEADMN C[N@@H+](C[C@H]1OCCc2ccccc21)[C@H]1CCOC1 ZINC000265260124 386321699 /nfs/dbraw/zinc/32/16/99/386321699.db2.gz YCZRSMXHXGUHKL-DZGCQCFKSA-N 0 1 247.338 2.021 20 0 BEADMN CN(C[C@H]1OCCc2ccccc21)[C@H]1CCOC1 ZINC000265260124 386321703 /nfs/dbraw/zinc/32/17/03/386321703.db2.gz YCZRSMXHXGUHKL-DZGCQCFKSA-N 0 1 247.338 2.021 20 0 BEADMN CC[C@@H](C(=O)N(C)CC)N(C)Cc1ccccc1 ZINC000339246740 386323329 /nfs/dbraw/zinc/32/33/29/386323329.db2.gz QRDMJAZAUPHZMW-AWEZNQCLSA-N 0 1 248.370 2.375 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccncc1 ZINC000289142004 386265914 /nfs/dbraw/zinc/26/59/14/386265914.db2.gz AKABPOALYDZJAQ-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H](CO)N(C)Cc1cnc(C(C)(C)C)s1 ZINC000289181481 386268267 /nfs/dbraw/zinc/26/82/67/386268267.db2.gz AMVZTMCJDATUMT-VIFPVBQESA-N 0 1 242.388 2.253 20 0 BEADMN CN(CCOCC1CC1)CCC(F)(F)F ZINC000336652989 386268919 /nfs/dbraw/zinc/26/89/19/386268919.db2.gz XLAVFZJKBNRDKA-UHFFFAOYSA-N 0 1 225.254 2.297 20 0 BEADMN Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)co1 ZINC000276060401 386269076 /nfs/dbraw/zinc/26/90/76/386269076.db2.gz ZWXJTAVFFRFVIB-NSHDSACASA-N 0 1 245.282 2.119 20 0 BEADMN CO[C@@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000336653395 386269274 /nfs/dbraw/zinc/26/92/74/386269274.db2.gz YJRFKKPIEJDNDU-QMMMGPOBSA-N 0 1 223.238 2.216 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)[C@@H](C)[C@@H](C)O1 ZINC000347182262 386272181 /nfs/dbraw/zinc/27/21/81/386272181.db2.gz KNAQFSSCFMOFTA-GRYCIOLGSA-N 0 1 227.348 2.053 20 0 BEADMN CCN(CC)Cc1cnc(C2OCCO2)s1 ZINC000289204905 386273052 /nfs/dbraw/zinc/27/30/52/386273052.db2.gz VVJCZSYENPRKRA-UHFFFAOYSA-N 0 1 242.344 2.030 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H](C)[C@H]1C ZINC000416320191 386277280 /nfs/dbraw/zinc/27/72/80/386277280.db2.gz OTONBCMVDFVQGT-UTLUCORTSA-N 0 1 247.342 2.404 20 0 BEADMN COCCN(CC[C@@H](C)F)Cc1ccccn1 ZINC000347248705 386279103 /nfs/dbraw/zinc/27/91/03/386279103.db2.gz BFOAZDWOBWEPDS-GFCCVEGCSA-N 0 1 240.322 2.278 20 0 BEADMN Cc1ccc(CCN2CCOC[C@H]2C)cc1 ZINC000265468250 386342253 /nfs/dbraw/zinc/34/22/53/386342253.db2.gz CAADTJHFWAWKGQ-CYBMUJFWSA-N 0 1 219.328 2.258 20 0 BEADMN CC(C)(CCO)NCc1csc(C2CC2)n1 ZINC000164846653 386343520 /nfs/dbraw/zinc/34/35/20/386343520.db2.gz CPONCFJHUMGHPM-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN Cc1ccnc(NC[C@H](c2ccco2)N(C)C)n1 ZINC000265512643 386343491 /nfs/dbraw/zinc/34/34/91/386343491.db2.gz KOCHQWGRVHEGCU-LLVKDONJSA-N 0 1 246.314 2.093 20 0 BEADMN CCN(CCO)[C@H](C)c1ccc(F)cc1F ZINC000265502456 386345394 /nfs/dbraw/zinc/34/53/94/386345394.db2.gz POCRSHWKZDMULJ-SECBINFHSA-N 0 1 229.270 2.340 20 0 BEADMN Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)on1 ZINC000265537417 386346432 /nfs/dbraw/zinc/34/64/32/386346432.db2.gz QRTMVEOHVIJGCV-ZJUUUORDSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)on1 ZINC000265537417 386346436 /nfs/dbraw/zinc/34/64/36/386346436.db2.gz QRTMVEOHVIJGCV-ZJUUUORDSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)on1 ZINC000265537407 386347878 /nfs/dbraw/zinc/34/78/78/386347878.db2.gz QRTMVEOHVIJGCV-NXEZZACHSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@H]2C)on1 ZINC000265537407 386347883 /nfs/dbraw/zinc/34/78/83/386347883.db2.gz QRTMVEOHVIJGCV-NXEZZACHSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)n[nH]1 ZINC000334493003 386349384 /nfs/dbraw/zinc/34/93/84/386349384.db2.gz UOFIANYNTIEHSB-JTQLQIEISA-N 0 1 233.315 2.123 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000265621005 386352368 /nfs/dbraw/zinc/35/23/68/386352368.db2.gz NJYAWIIKXZNBBS-ZJUUUORDSA-N 0 1 235.331 2.449 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CC1(C)CCCC1 ZINC000289790722 386356702 /nfs/dbraw/zinc/35/67/02/386356702.db2.gz QQYILAHXXLTQQS-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CCCC(C)(C)NCc1cc(COC)on1 ZINC000298539816 386357883 /nfs/dbraw/zinc/35/78/83/386357883.db2.gz SVIIORTUWFWKLK-UHFFFAOYSA-N 0 1 226.320 2.489 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCC(C)(C)C ZINC000265652755 386357992 /nfs/dbraw/zinc/35/79/92/386357992.db2.gz OYSFKRYJQBZXNX-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CCO[C@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339365519 386386786 /nfs/dbraw/zinc/38/67/86/386386786.db2.gz WJTVMFGRSJIZOW-BDAKNGLRSA-N 0 1 227.308 2.213 20 0 BEADMN Cc1c[nH]nc1CNCCOc1ccc(F)cc1 ZINC000289867721 386364837 /nfs/dbraw/zinc/36/48/37/386364837.db2.gz LOSLKFASLJSFEE-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN C[C@H](CO)N(C)Cc1ccccc1Cl ZINC000157084946 386370848 /nfs/dbraw/zinc/37/08/48/386370848.db2.gz FBPUXXBZQSUAMF-SECBINFHSA-N 0 1 213.708 2.153 20 0 BEADMN COC[C@@H](C)N(C)Cc1cc(F)ccc1OC ZINC000298749225 386378868 /nfs/dbraw/zinc/37/88/68/386378868.db2.gz GCSZYIWOICRTBL-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN Cc1cc(CN(C)CCCOC(C)C)on1 ZINC000265877634 386381499 /nfs/dbraw/zinc/38/14/99/386381499.db2.gz NROBTDJZFZRRNA-UHFFFAOYSA-N 0 1 226.320 2.230 20 0 BEADMN O[C@@H](CNCc1ncc(Cl)s1)C1CCC1 ZINC000315747768 259686731 /nfs/dbraw/zinc/68/67/31/259686731.db2.gz MQFRJBCGFNYQAS-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN CC[C@@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000276845776 386383485 /nfs/dbraw/zinc/38/34/85/386383485.db2.gz WZZKDGCYCHXMQC-MWLCHTKSSA-N 0 1 235.331 2.340 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@](C)(F)C2)n[nH]1 ZINC000334483639 386327233 /nfs/dbraw/zinc/32/72/33/386327233.db2.gz YORJEQSERVNJFH-GFCCVEGCSA-N 0 1 239.294 2.107 20 0 BEADMN CCO[C@@H](C)c1nc([C@@H](N)CC(C)C)no1 ZINC000339365522 386385762 /nfs/dbraw/zinc/38/57/62/386385762.db2.gz WJTVMFGRSJIZOW-IUCAKERBSA-N 0 1 227.308 2.213 20 0 BEADMN C[C@H](O)CCCN1CCn2cccc2[C@H]1C ZINC000336678021 386330993 /nfs/dbraw/zinc/33/09/93/386330993.db2.gz WNRHHFTZZCPABP-NWDGAFQWSA-N 0 1 222.332 2.026 20 0 BEADMN CCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000230054983 386336802 /nfs/dbraw/zinc/33/68/02/386336802.db2.gz UZDHXANCFBAERG-DCAQKATOSA-N 0 1 211.305 2.114 20 0 BEADMN c1ccc2c(c1)CCCN(Cc1cnccn1)C2 ZINC000335276538 386339049 /nfs/dbraw/zinc/33/90/49/386339049.db2.gz NSNXZZOXSJCPME-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC(=O)N(C)C)c(C)c1 ZINC000298843407 386391252 /nfs/dbraw/zinc/39/12/52/386391252.db2.gz IAJFCCUJQHCEPV-CYBMUJFWSA-N 0 1 248.370 2.384 20 0 BEADMN Fc1ccc(CCNCc2cocn2)cc1F ZINC000276985859 386397107 /nfs/dbraw/zinc/39/71/07/386397107.db2.gz HLCVJZDSXFPGIC-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCCO2)n1 ZINC000339388931 386397572 /nfs/dbraw/zinc/39/75/72/386397572.db2.gz LOWIUDPMFNXPLK-UWVGGRQHSA-N 0 1 239.319 2.357 20 0 BEADMN C[C@H](O)CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000336706024 386397483 /nfs/dbraw/zinc/39/74/83/386397483.db2.gz VDKFPVSDXQWQJD-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1ocnc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339390475 386401423 /nfs/dbraw/zinc/40/14/23/386401423.db2.gz AAKOSOSNYQATTD-QMMMGPOBSA-N 0 1 236.275 2.079 20 0 BEADMN CC[C@H](OC)c1nc([C@@H](N)CC(C)C)no1 ZINC000339396264 386403113 /nfs/dbraw/zinc/40/31/13/386403113.db2.gz NCEFCNNQXISPFF-IUCAKERBSA-N 0 1 227.308 2.213 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@@H](C)[C@H]1C ZINC000290188114 386403556 /nfs/dbraw/zinc/40/35/56/386403556.db2.gz ZUAUTFSJRMXLRS-KGLIPLIRSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1cc(CN2CCCO[C@H](C(C)C)C2)on1 ZINC000336612853 386404218 /nfs/dbraw/zinc/40/42/18/386404218.db2.gz XKDCRUOVGXDWAQ-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)NCc2cocn2)n[nH]1 ZINC000277114199 386407765 /nfs/dbraw/zinc/40/77/65/386407765.db2.gz XZUAFLLMEKOWJE-IUCAKERBSA-N 0 1 249.318 2.157 20 0 BEADMN Cc1cc(CNC[C@H](C)C(F)(F)F)nn1C ZINC000414428304 386408917 /nfs/dbraw/zinc/40/89/17/386408917.db2.gz GOWWXFQYCMQLIZ-ZETCQYMHSA-N 0 1 235.253 2.017 20 0 BEADMN C[N@@H+](CCc1ccc(F)cc1)Cc1ccno1 ZINC000299091857 386412376 /nfs/dbraw/zinc/41/23/76/386412376.db2.gz MKWHBLGMUSACBN-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1ccno1 ZINC000299091857 386412380 /nfs/dbraw/zinc/41/23/80/386412380.db2.gz MKWHBLGMUSACBN-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN Cc1cc(CNC[C@@H](C)C(F)(F)F)nn1C ZINC000414428301 386414174 /nfs/dbraw/zinc/41/41/74/386414174.db2.gz GOWWXFQYCMQLIZ-SSDOTTSWSA-N 0 1 235.253 2.017 20 0 BEADMN C[C@H](O)CCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000336707487 386415150 /nfs/dbraw/zinc/41/51/50/386415150.db2.gz ZWHSAARTACCKOR-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN CCN(CC(=O)N[C@@H](C)CCC1CC1)C1CC1 ZINC000347495271 386421212 /nfs/dbraw/zinc/42/12/12/386421212.db2.gz MKLFLOUSKPUHGO-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)[C@H](C)N1CCCc2ccccc2CC1 ZINC000451711450 386423406 /nfs/dbraw/zinc/42/34/06/386423406.db2.gz ORDXKCZBJHPCPT-LBPRGKRZSA-N 0 1 247.338 2.039 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1ccsc1 ZINC001645309125 1172651017 /nfs/dbraw/zinc/65/10/17/1172651017.db2.gz NNKRVIOATYGREN-NSCUHMNNSA-N 0 1 247.323 2.143 20 0 BEADMN CC(C)Cn1nccc1CN1CC(C2CC2)C1 ZINC000648036943 386433547 /nfs/dbraw/zinc/43/35/47/386433547.db2.gz AVIMSAIHSROPJM-UHFFFAOYSA-N 0 1 233.359 2.381 20 0 BEADMN COC(=O)CN(C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000191050089 386467134 /nfs/dbraw/zinc/46/71/34/386467134.db2.gz RTXOFUUVKXAGNX-RYUDHWBXSA-N 0 1 225.332 2.084 20 0 BEADMN CCOc1cccc(CN2C[C@H](C)[C@H]2C)n1 ZINC000339570655 386469894 /nfs/dbraw/zinc/46/98/94/386469894.db2.gz XVROISKPNIFJIV-WDEREUQCSA-N 0 1 220.316 2.321 20 0 BEADMN C[C@@H]1CN(CC[S@](=O)c2ccccc2)[C@H]1C ZINC000339572168 386470114 /nfs/dbraw/zinc/47/01/14/386470114.db2.gz BUXQIIYVSPCODO-WQGACYEGSA-N 0 1 237.368 2.134 20 0 BEADMN COc1ncncc1CN(C)[C@@H](C)C(C)(C)C ZINC000648002280 386471348 /nfs/dbraw/zinc/47/13/48/386471348.db2.gz KSCSDZKSTVOAGP-JTQLQIEISA-N 0 1 237.347 2.352 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccccc1 ZINC000519525816 386474624 /nfs/dbraw/zinc/47/46/24/386474624.db2.gz YQLICSBTXACJIC-ZDUSSCGKSA-N 0 1 247.342 2.245 20 0 BEADMN O=C(c1cnc[nH]1)N(Cc1ccccc1)C1CC1 ZINC000299655778 386477820 /nfs/dbraw/zinc/47/78/20/386477820.db2.gz PFOYTRCNPTZQAV-UHFFFAOYSA-N 0 1 241.294 2.215 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C ZINC000339562725 386478078 /nfs/dbraw/zinc/47/80/78/386478078.db2.gz ILJVINGUNICQJT-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nn(C)c(C)c1CN1CC2(C1)CCCC2 ZINC000335428103 386481341 /nfs/dbraw/zinc/48/13/41/386481341.db2.gz YJCIUHMZUWVNRJ-UHFFFAOYSA-N 0 1 233.359 2.413 20 0 BEADMN COC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000266941545 386482131 /nfs/dbraw/zinc/48/21/31/386482131.db2.gz QAPRYMDWCIVSFV-GXTWGEPZSA-N 0 1 247.338 2.113 20 0 BEADMN CCSCCN[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000336778984 386483712 /nfs/dbraw/zinc/48/37/12/386483712.db2.gz MXBFPXCDCRRVQI-SECBINFHSA-N 0 1 242.392 2.332 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@@H]1C ZINC000339582073 386484503 /nfs/dbraw/zinc/48/45/03/386484503.db2.gz OUZCXYXEGVFAPX-GRYCIOLGSA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC[C@@H]2F)cn1 ZINC000339581904 386485791 /nfs/dbraw/zinc/48/57/91/386485791.db2.gz FAQUJPBJZWXCED-RYUDHWBXSA-N 0 1 225.311 2.444 20 0 BEADMN COc1ccc(CNCc2ccnc(C)c2)cn1 ZINC000391229005 386488401 /nfs/dbraw/zinc/48/84/01/386488401.db2.gz OJNJVKRBIMKGNP-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCc1ncc(CN(C)[C@H]2CC2(C)C)cn1 ZINC000414445051 386489188 /nfs/dbraw/zinc/48/91/88/386489188.db2.gz MKDUYOKCIXTWAH-NSHDSACASA-N 0 1 219.332 2.269 20 0 BEADMN CN[C@H](C)c1cn(Cc2cc(F)ccc2C)nn1 ZINC000310833958 386489555 /nfs/dbraw/zinc/48/95/55/386489555.db2.gz KTUGPKPDMXECCP-SNVBAGLBSA-N 0 1 248.305 2.054 20 0 BEADMN CCc1cc(C(=O)N(CC)CC(C)(C)C)n[nH]1 ZINC000291256554 386529429 /nfs/dbraw/zinc/52/94/29/386529429.db2.gz RWJDTUZSEDDRRB-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CCC1(C)CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000291002019 386496626 /nfs/dbraw/zinc/49/66/26/386496626.db2.gz BSAVFCWEWQBRKE-SNVBAGLBSA-N 0 1 247.342 2.088 20 0 BEADMN CCCc1nc(C)c(CN(CC)[C@H](C)CO)o1 ZINC000339631444 386498087 /nfs/dbraw/zinc/49/80/87/386498087.db2.gz BZILLPVLLKXGDR-SNVBAGLBSA-N 0 1 240.347 2.138 20 0 BEADMN C[C@@H](NCc1ccnn1C)c1ccsc1 ZINC000061361390 386507318 /nfs/dbraw/zinc/50/73/18/386507318.db2.gz TULUOWYOJONWBA-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)CC2CCC2)n1 ZINC000336783507 386508086 /nfs/dbraw/zinc/50/80/86/386508086.db2.gz XUAPSYBVIBSUJU-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)CC2CCC2)n1 ZINC000336783507 386508092 /nfs/dbraw/zinc/50/80/92/386508092.db2.gz XUAPSYBVIBSUJU-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CN(Cc1nccs1)C[C@H]1CCSC1 ZINC000278378441 386516520 /nfs/dbraw/zinc/51/65/20/386516520.db2.gz CLZSAPXQFKIEJF-SECBINFHSA-N 0 1 228.386 2.328 20 0 BEADMN CC(C)N(Cc1cncc(F)c1)[C@H]1CCOC1 ZINC000291154470 386518191 /nfs/dbraw/zinc/51/81/91/386518191.db2.gz BRGRJXLDFRHZEJ-ZDUSSCGKSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)CCC(C)C ZINC000645411899 386518354 /nfs/dbraw/zinc/51/83/54/386518354.db2.gz ASDMISUABRTHIE-CQSZACIVSA-N 0 1 248.370 2.499 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339683778 386518972 /nfs/dbraw/zinc/51/89/72/386518972.db2.gz OZJPHEJLGCGEGJ-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)CC2(CCC2)O1 ZINC000335449514 386519111 /nfs/dbraw/zinc/51/91/11/386519111.db2.gz NRSWLYBBLYIEGT-GFCCVEGCSA-N 0 1 234.343 2.169 20 0 BEADMN CCC[C@]1(C)C(=O)NCCN1Cc1ccccc1 ZINC000187348921 386522776 /nfs/dbraw/zinc/52/27/76/386522776.db2.gz MISIHVFUFJSGTF-OAHLLOKOSA-N 0 1 246.354 2.177 20 0 BEADMN CCN(CC(=O)NC[C@@H]1CCC[C@@H]1C)C1CC1 ZINC000339508676 386457216 /nfs/dbraw/zinc/45/72/16/386457216.db2.gz PXEKWTXHLJHKBY-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C)cc1 ZINC000299482659 386459232 /nfs/dbraw/zinc/45/92/32/386459232.db2.gz DBDRBKJTXQCHKQ-OCCSQVGLSA-N 0 1 246.354 2.266 20 0 BEADMN CC[C@]1(C)COCCN1C[C@H]1CCC(C)(C)O1 ZINC000336726107 386460992 /nfs/dbraw/zinc/46/09/92/386460992.db2.gz WDKYJJQDPXVTIE-TZMCWYRMSA-N 0 1 241.375 2.445 20 0 BEADMN CCN(Cc1cc(C)ccn1)[C@H]1CCOC1 ZINC000643399601 386464347 /nfs/dbraw/zinc/46/43/47/386464347.db2.gz RHDURUCRGFVBIT-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H](CNC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000299530265 386464990 /nfs/dbraw/zinc/46/49/90/386464990.db2.gz NBDSGXLFOOFWEU-TZMCWYRMSA-N 0 1 246.354 2.001 20 0 BEADMN CC(C)c1nc(CSc2ncco2)n[nH]1 ZINC000291744206 386577350 /nfs/dbraw/zinc/57/73/50/386577350.db2.gz YZJQUZWZHMQRRH-UHFFFAOYSA-N 0 1 224.289 2.208 20 0 BEADMN Cc1ccc(CN2CCCO[C@H](C(C)C)C2)nn1 ZINC000414459251 386586504 /nfs/dbraw/zinc/58/65/04/386586504.db2.gz ORGFEKLSAAMRFT-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000335418017 386586575 /nfs/dbraw/zinc/58/65/75/386586575.db2.gz NBPDNVYKBZGBAM-LSDHHAIUSA-N 0 1 246.354 2.186 20 0 BEADMN COC[C@H](C)C[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000525870002 386592635 /nfs/dbraw/zinc/59/26/35/386592635.db2.gz MHFRMMPNOZEKHX-LLVKDONJSA-N 0 1 247.342 2.243 20 0 BEADMN COC[C@@H](C)C[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000525870003 386593149 /nfs/dbraw/zinc/59/31/49/386593149.db2.gz MHFRMMPNOZEKHX-NSHDSACASA-N 0 1 247.342 2.243 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(C2CC2)ccn1 ZINC000291868301 386593289 /nfs/dbraw/zinc/59/32/89/386593289.db2.gz GBSLWWJWDQXCRH-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CO[C@@H](CNc1cc(C)ccn1)C(C)C ZINC000268290802 386594919 /nfs/dbraw/zinc/59/49/19/386594919.db2.gz DJLKWWWTGCDZTD-NSHDSACASA-N 0 1 208.305 2.473 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C(=O)[O-] ZINC000335422699 386595720 /nfs/dbraw/zinc/59/57/20/386595720.db2.gz IBHNXJOTPYWRMU-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(C)nn2)CC1(C)C ZINC000414460697 386595721 /nfs/dbraw/zinc/59/57/21/386595721.db2.gz DAWURHAHDUHWBJ-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN NC1(c2noc([C@H]3C[C@@H]3C(F)F)n2)CCCC1 ZINC000335454696 386531926 /nfs/dbraw/zinc/53/19/26/386531926.db2.gz GPVDLKRVQQIAKC-BQBZGAKWSA-N 0 1 243.257 2.166 20 0 BEADMN COCC[C@H]1COCCN1Cc1ccccc1C ZINC000291294895 386532069 /nfs/dbraw/zinc/53/20/69/386532069.db2.gz PXZJUZQXIISBKI-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN COC(C)(C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000278498002 386536551 /nfs/dbraw/zinc/53/65/51/386536551.db2.gz VAIOKKJBKXBMEK-UHFFFAOYSA-N 0 1 247.298 2.317 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCCC[C@H]2C)cc1 ZINC000228075691 386538196 /nfs/dbraw/zinc/53/81/96/386538196.db2.gz NJXPROADJLVUSA-OCCSQVGLSA-N 0 1 246.354 2.396 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)CC2(CCC2)O1 ZINC000335460641 386539908 /nfs/dbraw/zinc/53/99/08/386539908.db2.gz ALEJAZUWNDCTQM-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CCN(CC1CC1)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228086824 386540444 /nfs/dbraw/zinc/54/04/44/386540444.db2.gz ZNFKVSFQBQXKSZ-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H]2CCC[C@@H]2C)cc1 ZINC000228085508 386541479 /nfs/dbraw/zinc/54/14/79/386541479.db2.gz NQAUURNTFAWSLP-UBHSHLNASA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC2(C)CCC2)cc1 ZINC000228089249 386541528 /nfs/dbraw/zinc/54/15/28/386541528.db2.gz CIRYQSVEVNKXDJ-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)cc1 ZINC000187396020 386542851 /nfs/dbraw/zinc/54/28/51/386542851.db2.gz ZVYITHLQKYGNDK-TZMCWYRMSA-N 0 1 246.354 2.081 20 0 BEADMN Cl/C=C/CN1CCC(c2ncc[nH]2)CC1 ZINC000267501915 386548191 /nfs/dbraw/zinc/54/81/91/386548191.db2.gz UKMMQYOFBBLRNA-DAFODLJHSA-N 0 1 225.723 2.342 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1OC1CC1 ZINC000519766652 386551442 /nfs/dbraw/zinc/55/14/42/386551442.db2.gz ZOLJBCSSXMKBRT-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000453389081 386555434 /nfs/dbraw/zinc/55/54/34/386555434.db2.gz CLGLFWKJIHTKII-JHJVBQTASA-N 0 1 249.358 2.265 20 0 BEADMN CCCc1nc(CN[C@H](C)[C@@H](C)CO)cs1 ZINC000336780573 386555547 /nfs/dbraw/zinc/55/55/47/386555547.db2.gz RREFNMUSWHQUAY-VHSXEESVSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@@H](NCCF)[C@H]1OCCc2sccc21 ZINC000336756222 386555774 /nfs/dbraw/zinc/55/57/74/386555774.db2.gz JFSFUHMOJVGDHD-LDYMZIIASA-N 0 1 229.320 2.310 20 0 BEADMN C[C@H](NCCF)[C@@H]1OCCc2sccc21 ZINC000336756221 386556351 /nfs/dbraw/zinc/55/63/51/386556351.db2.gz JFSFUHMOJVGDHD-KWQFWETISA-N 0 1 229.320 2.310 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCS[C@H](C)CC1 ZINC000291532444 386556514 /nfs/dbraw/zinc/55/65/14/386556514.db2.gz KJSSUKCRKATROF-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCS[C@H](C)CC1 ZINC000291532444 386556517 /nfs/dbraw/zinc/55/65/17/386556517.db2.gz KJSSUKCRKATROF-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN Cc1c[nH]nc1CN1CCS[C@H](C)CC1 ZINC000291532444 386556521 /nfs/dbraw/zinc/55/65/21/386556521.db2.gz KJSSUKCRKATROF-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN Cn1cncc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278640757 386557698 /nfs/dbraw/zinc/55/76/98/386557698.db2.gz GXTVNKISFGUSAA-SECBINFHSA-N 0 1 247.264 2.194 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@H](C)[C@H]1C ZINC000267631642 386564802 /nfs/dbraw/zinc/56/48/02/386564802.db2.gz GZVQHPNPKNXVSB-VHSXEESVSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1cnc(CCN2C[C@@H](C)OC[C@H]2C)c(C)c1 ZINC000335407955 386568827 /nfs/dbraw/zinc/56/88/27/386568827.db2.gz KGJKAVUJTPPYFI-ZIAGYGMSSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1cnc(CCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000335409280 386572016 /nfs/dbraw/zinc/57/20/16/386572016.db2.gz SKEOIJZZTXDHAW-OKILXGFUSA-N 0 1 248.370 2.350 20 0 BEADMN C1=C[C@@H](N2CCO[C@]3(CCSC3)C2)CCC1 ZINC000335411008 386573831 /nfs/dbraw/zinc/57/38/31/386573831.db2.gz VXHDUEDPKKEAIR-CHWSQXEVSA-N 0 1 239.384 2.303 20 0 BEADMN CCCCN(CCO)Cc1ccnn1C(C)C ZINC000337137338 386622864 /nfs/dbraw/zinc/62/28/64/386622864.db2.gz ODDKSPXBCRZIJH-UHFFFAOYSA-N 0 1 239.363 2.058 20 0 BEADMN CCN(CC(=O)N1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000179176098 386625013 /nfs/dbraw/zinc/62/50/13/386625013.db2.gz ZOIWNZOKZSFRLY-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(=O)N1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000179176081 386625647 /nfs/dbraw/zinc/62/56/47/386625647.db2.gz ZOIWNZOKZSFRLY-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCOc1ccccc1CSc1cn[nH]n1 ZINC000268167194 386626270 /nfs/dbraw/zinc/62/62/70/386626270.db2.gz PXFSZPYBKFTZFS-UHFFFAOYSA-N 0 1 235.312 2.496 20 0 BEADMN COC(=O)CN(C[C@H](C)CC(C)C)C1CC1 ZINC000337169156 386629550 /nfs/dbraw/zinc/62/95/50/386629550.db2.gz DKESQUPNOCNZMM-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@H](C)C[C@H]2C)n1 ZINC000268175514 386630088 /nfs/dbraw/zinc/63/00/88/386630088.db2.gz BHFFTAJGOYJLOZ-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CC[C@H](N[C@@H]1CN(CC)C[C@H]1C)C(F)(F)F ZINC000336782182 386631570 /nfs/dbraw/zinc/63/15/70/386631570.db2.gz WWYBJRJFSSVZTJ-BBBLOLIVSA-N 0 1 238.297 2.257 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000425921941 386636137 /nfs/dbraw/zinc/63/61/37/386636137.db2.gz QKWZQKVVLXJMPK-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1noc([C@@H](C)NCC2CCCC2)n1 ZINC000336758536 386639130 /nfs/dbraw/zinc/63/91/30/386639130.db2.gz KVOZWCATVWIAJT-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1ccnc(NCCCNC(=O)C2CCC2)c1 ZINC000268369893 386645734 /nfs/dbraw/zinc/64/57/34/386645734.db2.gz YODBLVZPRRDICU-UHFFFAOYSA-N 0 1 247.342 2.108 20 0 BEADMN Cc1ccoc1CN(C)CCC(=O)OC(C)C ZINC000292341382 386652988 /nfs/dbraw/zinc/65/29/88/386652988.db2.gz PGFGVPFYXMLTPF-UHFFFAOYSA-N 0 1 239.315 2.362 20 0 BEADMN CCC[N@H+](Cc1ccc(C)cn1)[C@@H]1CCN(C)C1 ZINC000648056297 386653485 /nfs/dbraw/zinc/65/34/85/386653485.db2.gz BSVXMPLGUVWYMP-OAHLLOKOSA-N 0 1 247.386 2.306 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2sc(Cl)cc2C1 ZINC000335424167 386599424 /nfs/dbraw/zinc/59/94/24/386599424.db2.gz NGXPOHWDWFPPSY-ZCFIWIBFSA-N 0 1 245.731 2.233 20 0 BEADMN C[C@@H](O)CN(C)[C@H](C)c1cc(F)ccc1F ZINC000245746614 386605975 /nfs/dbraw/zinc/60/59/75/386605975.db2.gz GAGGATKOUBUHCV-RKDXNWHRSA-N 0 1 229.270 2.338 20 0 BEADMN Cc1nc(CN(C)c2cccc(C)c2C)n[nH]1 ZINC000291997539 386608373 /nfs/dbraw/zinc/60/83/73/386608373.db2.gz BGICGGQGTTWHCD-UHFFFAOYSA-N 0 1 230.315 2.366 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000414923988 386614119 /nfs/dbraw/zinc/61/41/19/386614119.db2.gz FYPLNXIEQBIOIR-GHMZBOCLSA-N 0 1 232.318 2.139 20 0 BEADMN COC[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(C)o1 ZINC000245978469 386615777 /nfs/dbraw/zinc/61/57/77/386615777.db2.gz XSFIAIQHIPWQLK-TUAOUCFPSA-N 0 1 239.315 2.043 20 0 BEADMN CCc1ncc(C[N@H+]2CCCC[C@H]2COC)cn1 ZINC000414463906 386615978 /nfs/dbraw/zinc/61/59/78/386615978.db2.gz SLBNKYLXDWBDAM-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1ncc(CN2CCCC[C@H]2COC)cn1 ZINC000414463906 386615983 /nfs/dbraw/zinc/61/59/83/386615983.db2.gz SLBNKYLXDWBDAM-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1noc(C[N@H+]2CC[C@H](C(C)(C)C)C2)n1 ZINC000335520978 386659755 /nfs/dbraw/zinc/65/97/55/386659755.db2.gz SFNFJMIGULBPDK-JTQLQIEISA-N 0 1 223.320 2.246 20 0 BEADMN Cc1noc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC000335520978 386659758 /nfs/dbraw/zinc/65/97/58/386659758.db2.gz SFNFJMIGULBPDK-JTQLQIEISA-N 0 1 223.320 2.246 20 0 BEADMN CCC1(CC)CCN([C@H](C)C(=O)OC)CC1 ZINC000062954719 386660185 /nfs/dbraw/zinc/66/01/85/386660185.db2.gz QAQXPWPXSQQOEK-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN COC(=O)[C@H](C)N(C)CCCC(C)(C)C ZINC000337224279 386663365 /nfs/dbraw/zinc/66/33/65/386663365.db2.gz DPDMJAJRSYDALI-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cn(CC2CC2)nn1 ZINC000450762483 386682329 /nfs/dbraw/zinc/68/23/29/386682329.db2.gz HAKNEECARKMNGK-RISCZKNCSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000520426551 386672277 /nfs/dbraw/zinc/67/22/77/386672277.db2.gz LRXYUYZMSNQBDT-IJLUTSLNSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H]2C=CCCC2)cc1 ZINC000335528461 386676083 /nfs/dbraw/zinc/67/60/83/386676083.db2.gz GKESNPDOTMHTMD-KBPBESRZSA-N 0 1 244.338 2.220 20 0 BEADMN CC1(CC(F)F)CN(CC2=CCCOC2)C1 ZINC000648058454 386678567 /nfs/dbraw/zinc/67/85/67/386678567.db2.gz LHZOEMYWFMCREH-UHFFFAOYSA-N 0 1 231.286 2.310 20 0 BEADMN C[C@@H](NCc1ncc(C2CC2)o1)[C@@H]1CCOC1 ZINC000337229238 386679560 /nfs/dbraw/zinc/67/95/60/386679560.db2.gz UUYKJLVOTXEAOP-MWLCHTKSSA-N 0 1 236.315 2.067 20 0 BEADMN C[C@@](N)(C(=O)N[C@H]1C=CCCC1)c1ccccc1 ZINC000335530672 386680697 /nfs/dbraw/zinc/68/06/97/386680697.db2.gz JTKWSZSRWPWBCA-ZFWWWQNUSA-N 0 1 244.338 2.085 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000335519152 386657400 /nfs/dbraw/zinc/65/74/00/386657400.db2.gz WZLYNRXYHKIOPF-JQWIXIFHSA-N 0 1 233.315 2.123 20 0 BEADMN CC[C@H](C[C@@H](C)CC)NCC(F)(F)CN ZINC000414926413 386658655 /nfs/dbraw/zinc/65/86/55/386658655.db2.gz JINZYUXZIUMVHP-VHSXEESVSA-N 0 1 222.323 2.385 20 0 BEADMN CSC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000292691966 386708979 /nfs/dbraw/zinc/70/89/79/386708979.db2.gz BOWDNMOMTZHKJP-LLVKDONJSA-N 0 1 239.388 2.293 20 0 BEADMN CC=C(C=CC(=O)NCc1cn[nH]c1C)CC ZINC000268868344 386711362 /nfs/dbraw/zinc/71/13/62/386711362.db2.gz OLQQTKPTHITQFN-IFQIRGPMSA-N 0 1 233.315 2.247 20 0 BEADMN CC1CN(Cc2ccc(C(F)F)nc2)C1 ZINC000639123113 386685615 /nfs/dbraw/zinc/68/56/15/386685615.db2.gz JEMMTIZAJHZFHJ-UHFFFAOYSA-N 0 1 212.243 2.471 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(F)ccc1C)N(C)C ZINC000268723213 386688028 /nfs/dbraw/zinc/68/80/28/386688028.db2.gz IRGZLRSVBDLALB-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN Cc1ccc(F)cc1COCCc1c[nH]nn1 ZINC000357018044 386688500 /nfs/dbraw/zinc/68/85/00/386688500.db2.gz KCXCVSHRDKVSCS-UHFFFAOYSA-N 0 1 235.262 2.012 20 0 BEADMN CO[C@@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000279472938 386688554 /nfs/dbraw/zinc/68/85/54/386688554.db2.gz GJGONQUKLWQJNJ-QMMMGPOBSA-N 0 1 244.254 2.092 20 0 BEADMN CC[C@@H](C)CNc1ccc2nn[nH]c2c1 ZINC000093108193 386712403 /nfs/dbraw/zinc/71/24/03/386712403.db2.gz JKXGGTKGTKBYON-MRVPVSSYSA-N 0 1 204.277 2.416 20 0 BEADMN CC[C@@H](C)N(CCC(C)(C)OC)CC(=O)OC ZINC000337266121 386693998 /nfs/dbraw/zinc/69/39/98/386693998.db2.gz ZBMSMWSERSIRLJ-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1cc(CN2CCCC[C@H]2CC(N)=O)no1 ZINC000330435852 386694417 /nfs/dbraw/zinc/69/44/17/386694417.db2.gz AVRMWNVSNVXNJZ-NSHDSACASA-N 0 1 237.303 2.263 20 0 BEADMN CC[C@@H](C)CNc1ccc2n[nH]nc2c1 ZINC000093108193 386712408 /nfs/dbraw/zinc/71/24/08/386712408.db2.gz JKXGGTKGTKBYON-MRVPVSSYSA-N 0 1 204.277 2.416 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCOc1ccccc1 ZINC000357032522 386695008 /nfs/dbraw/zinc/69/50/08/386695008.db2.gz GPMYHUSUOPMKNG-UONOGXRCSA-N 0 1 248.370 2.090 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)ncn1 ZINC000292610519 386696009 /nfs/dbraw/zinc/69/60/09/386696009.db2.gz XAJJXOPHIYYXQI-QWRGUYRKSA-N 0 1 237.372 2.111 20 0 BEADMN C[C@H](N[C@@H](C)C1CCCCC1)c1ncn(C)n1 ZINC000391914000 386696503 /nfs/dbraw/zinc/69/65/03/386696503.db2.gz BWQFHPKGKCJRCM-QWRGUYRKSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@@H](N[C@H](C)C1CCCCC1)c1ncn(C)n1 ZINC000391913998 386696726 /nfs/dbraw/zinc/69/67/26/386696726.db2.gz BWQFHPKGKCJRCM-GHMZBOCLSA-N 0 1 236.363 2.435 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)ncn1 ZINC000292610517 386696716 /nfs/dbraw/zinc/69/67/16/386696716.db2.gz XAJJXOPHIYYXQI-MNOVXSKESA-N 0 1 237.372 2.111 20 0 BEADMN Clc1ccc(COCCc2c[nH]nn2)cc1 ZINC000357029549 386697673 /nfs/dbraw/zinc/69/76/73/386697673.db2.gz ROABQVHBHAFOCL-UHFFFAOYSA-N 0 1 237.690 2.217 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@@H](C)C2CCC2)n1 ZINC000357038187 386698010 /nfs/dbraw/zinc/69/80/10/386698010.db2.gz MUOIXCPYWSXRNS-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H](C)C2CCC2)n1 ZINC000357038187 386698017 /nfs/dbraw/zinc/69/80/17/386698017.db2.gz MUOIXCPYWSXRNS-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN C[C@@H]1COCCN1CCCN(C)c1ccccc1 ZINC000520574061 386702788 /nfs/dbraw/zinc/70/27/88/386702788.db2.gz MFBRUOTXWSTVNL-CQSZACIVSA-N 0 1 248.370 2.234 20 0 BEADMN c1c(CNC2CC2)nnn1CCC1CCCC1 ZINC000302244765 386706215 /nfs/dbraw/zinc/70/62/15/386706215.db2.gz HMSLVZRFTGMYPF-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN CCCCN(CCOC)Cc1cncn1CC ZINC000417794760 386733343 /nfs/dbraw/zinc/73/33/43/386733343.db2.gz NIWPRMJEFQWBEB-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN CCC[C@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268997904 386735221 /nfs/dbraw/zinc/73/52/21/386735221.db2.gz QDKJYYORYSYIFY-ONGXEEELSA-N 0 1 235.331 2.340 20 0 BEADMN c1cncc(CCN2CCOC3(CCCC3)C2)c1 ZINC000268886111 386712564 /nfs/dbraw/zinc/71/25/64/386712564.db2.gz FRPRXDLUEYMVBW-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN CCc1ccc(CN2CCCOC[C@H]2C)nc1 ZINC000645099242 386717914 /nfs/dbraw/zinc/71/79/14/386717914.db2.gz VQVXHRPAHHOYRP-GFCCVEGCSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000645094131 386719008 /nfs/dbraw/zinc/71/90/08/386719008.db2.gz GWRFCAJWAAETTB-SNVBAGLBSA-N 0 1 246.358 2.004 20 0 BEADMN O=C(C=C1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268920187 386721756 /nfs/dbraw/zinc/72/17/56/386721756.db2.gz COUHACDZUKXYQD-NSHDSACASA-N 0 1 231.299 2.014 20 0 BEADMN CC[C@H]1CCN1Cc1cccc2c1OCO2 ZINC000292897569 386745754 /nfs/dbraw/zinc/74/57/54/386745754.db2.gz ZOJKUSDEVPPVSV-NSHDSACASA-N 0 1 219.284 2.400 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000248581795 386746352 /nfs/dbraw/zinc/74/63/52/386746352.db2.gz WCKSXENHXGQFAJ-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000248581791 386749844 /nfs/dbraw/zinc/74/98/44/386749844.db2.gz WCKSXENHXGQFAJ-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN CC[C@H](C)[C@](C)(O)CN[C@H](C)c1cc(C)on1 ZINC000330497282 386751309 /nfs/dbraw/zinc/75/13/09/386751309.db2.gz XJSUWJXXBBSPLC-UFGOTCBOSA-N 0 1 240.347 2.431 20 0 BEADMN Cn1ccc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000334152455 386753150 /nfs/dbraw/zinc/75/31/50/386753150.db2.gz WFZLOZBTCUNSFS-YPMHNXCESA-N 0 1 219.332 2.185 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc[nH]c1 ZINC000344837993 386756524 /nfs/dbraw/zinc/75/65/24/386756524.db2.gz MDQMJPXMSTZREU-UHFFFAOYSA-N 0 1 226.239 2.143 20 0 BEADMN CO[C@H](CN[C@H](C)c1ccn(C)n1)CC(C)C ZINC000417385954 386756956 /nfs/dbraw/zinc/75/69/56/386756956.db2.gz YGSDDYDOUNMALT-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ccn(C)n1)CC(C)C ZINC000417385960 386757911 /nfs/dbraw/zinc/75/79/11/386757911.db2.gz YGSDDYDOUNMALT-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1cnc(CN(C[C@@H](C)O)C(C)C)s1 ZINC000357328798 386761121 /nfs/dbraw/zinc/76/11/21/386761121.db2.gz CIUHRTWVEYGQQP-SECBINFHSA-N 0 1 228.361 2.043 20 0 BEADMN Fc1ccc(F)c(CCNCc2cocn2)c1 ZINC000192321943 386764994 /nfs/dbraw/zinc/76/49/94/386764994.db2.gz ZSPQBKNLZJDSBO-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN Cc1csc([C@@H](C)CNCc2cocn2)n1 ZINC000192343353 386768708 /nfs/dbraw/zinc/76/87/08/386768708.db2.gz PDKAMTPSRNUFLQ-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN NCC(F)(F)CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000414929876 386741810 /nfs/dbraw/zinc/74/18/10/386741810.db2.gz OHSJSGWKDKXUOI-MNOVXSKESA-N 0 1 232.318 2.139 20 0 BEADMN CC[C@@H](NC1(C(F)F)CC1)[C@@H]1CCOC1 ZINC000336760605 386743234 /nfs/dbraw/zinc/74/32/34/386743234.db2.gz LWTWKZLWUPXVBI-RKDXNWHRSA-N 0 1 219.275 2.189 20 0 BEADMN Cc1nccc(NCCCCCO)c1Cl ZINC000336665386 386769260 /nfs/dbraw/zinc/76/92/60/386769260.db2.gz DHPKDRAXIYRAOO-UHFFFAOYSA-N 0 1 228.723 2.040 20 0 BEADMN CCC[C@H](C)N1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352869833 386794785 /nfs/dbraw/zinc/79/47/85/386794785.db2.gz PSUWWUSEAMELPG-UUIJZJDISA-N 0 1 231.405 2.406 20 0 BEADMN CCN(CCC(C)C)[C@H](C)CS(=O)(=O)CC ZINC000113000430 386774079 /nfs/dbraw/zinc/77/40/79/386774079.db2.gz HLCPPCQXZCLJRH-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1ccncc1CN1CC2(C1)CCCOC2 ZINC000334637897 386775493 /nfs/dbraw/zinc/77/54/93/386775493.db2.gz SQISGPAPEZIWFQ-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CO[C@H](C)CCNCc1ncc(Cl)s1 ZINC000336667303 386782956 /nfs/dbraw/zinc/78/29/56/386782956.db2.gz WFHJRAOCBZFWDM-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN CCCC[C@@H](CC)NCC(F)(F)CN ZINC000414933349 386784271 /nfs/dbraw/zinc/78/42/71/386784271.db2.gz TTYLHLBHYMMAMT-SECBINFHSA-N 0 1 208.296 2.139 20 0 BEADMN CCOc1ccccc1N(C)Cc1n[nH]c(C)n1 ZINC000293181587 386785757 /nfs/dbraw/zinc/78/57/57/386785757.db2.gz NXOJQQRQXVSTJE-UHFFFAOYSA-N 0 1 246.314 2.148 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@H]1C[C@@H]1C ZINC000398380719 386819038 /nfs/dbraw/zinc/81/90/38/386819038.db2.gz NAXFLJFYLAMNTH-KZVJFYERSA-N 0 1 211.334 2.233 20 0 BEADMN Cc1[nH]ncc1CNc1ccn(C(C)C)n1 ZINC000280287410 386801113 /nfs/dbraw/zinc/80/11/13/386801113.db2.gz MHQNCDGTHKCQFX-UHFFFAOYSA-N 0 1 219.292 2.108 20 0 BEADMN CO[C@H]1CCC[C@@H]1CN=c1[nH]c2ccccc2[nH]1 ZINC000340951371 386804054 /nfs/dbraw/zinc/80/40/54/386804054.db2.gz OCOGSLOVBIBBOT-MFKMUULPSA-N 0 1 245.326 2.212 20 0 BEADMN CO[C@@H]1CCC[C@@H]1CN=c1[nH]c2ccccc2[nH]1 ZINC000340951372 386804410 /nfs/dbraw/zinc/80/44/10/386804410.db2.gz OCOGSLOVBIBBOT-ZWNOBZJWSA-N 0 1 245.326 2.212 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2C[C@@H](C)[C@H]2C)o1 ZINC000293344261 386806479 /nfs/dbraw/zinc/80/64/79/386806479.db2.gz HILWJMXIEQPAHZ-BBBLOLIVSA-N 0 1 237.299 2.467 20 0 BEADMN COC[C@@H]1CCN1Cc1cnc2ccccc2c1 ZINC000293520894 386829153 /nfs/dbraw/zinc/82/91/53/386829153.db2.gz IORQFHWTHOTQLI-AWEZNQCLSA-N 0 1 242.322 2.456 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H](N)c1ccccc1C ZINC000645168247 386829306 /nfs/dbraw/zinc/82/93/06/386829306.db2.gz JENIFUABTHSLNN-YPMHNXCESA-N 0 1 234.343 2.300 20 0 BEADMN CC(C)(CNCc1csnn1)C1CCC1 ZINC000395404365 386829491 /nfs/dbraw/zinc/82/94/91/386829491.db2.gz UUVLVYLPVAYLLJ-UHFFFAOYSA-N 0 1 225.361 2.454 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(F)cc1C ZINC000293533308 386832612 /nfs/dbraw/zinc/83/26/12/386832612.db2.gz JMHPVKBBKOJIGC-ZDUSSCGKSA-N 0 1 223.291 2.355 20 0 BEADMN CCc1noc(C)c1CN1C[C@@H]2C[C@H]1CS2 ZINC000334785479 386844706 /nfs/dbraw/zinc/84/47/06/386844706.db2.gz JJLKULQLKQBWTI-UWVGGRQHSA-N 0 1 238.356 2.235 20 0 BEADMN Cc1sccc1CN(C)[C@H](C)C[S@](C)=O ZINC000293606881 386845973 /nfs/dbraw/zinc/84/59/73/386845973.db2.gz LMVHOQSEHYRTSH-PSLIRLAXSA-N 0 1 245.413 2.255 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1c1nc(N)nc2c1CCCC2 ZINC000645192442 386854613 /nfs/dbraw/zinc/85/46/13/386854613.db2.gz MKINGYAHDIXFGI-NXEZZACHSA-N 0 1 246.358 2.145 20 0 BEADMN CN(CCF)Cc1cnc(-c2ccccc2)[nH]1 ZINC000293665906 386856257 /nfs/dbraw/zinc/85/62/57/386856257.db2.gz OIAGFGXYTCQHND-UHFFFAOYSA-N 0 1 233.290 2.478 20 0 BEADMN Cn1ncnc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000334790651 386856978 /nfs/dbraw/zinc/85/69/78/386856978.db2.gz JSPGUZIXXDPLEJ-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccon1 ZINC000352881953 386858826 /nfs/dbraw/zinc/85/88/26/386858826.db2.gz GDMAOWAXTNJSIC-YPMHNXCESA-N 0 1 238.331 2.190 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2cnns2)C1 ZINC000334793647 386860204 /nfs/dbraw/zinc/86/02/04/386860204.db2.gz DCGGUAQMNJLMTB-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CN(CC2CCCCC2)C[C@H](C)[S@@]1=O ZINC000335743287 386860271 /nfs/dbraw/zinc/86/02/71/386860271.db2.gz CXQRKCHZDZQTIO-DRXBFXEBSA-N 0 1 243.416 2.408 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC000334829241 386866518 /nfs/dbraw/zinc/86/65/18/386866518.db2.gz FVVPBMZTACVQCL-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC000334829240 386866594 /nfs/dbraw/zinc/86/65/94/386866594.db2.gz FVVPBMZTACVQCL-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(C)c(F)c1 ZINC000293722300 386867750 /nfs/dbraw/zinc/86/77/50/386867750.db2.gz UBEYGDQJHIOEKY-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cc(CN(C)CCF)cc(C)c1O ZINC000293729686 386869288 /nfs/dbraw/zinc/86/92/88/386869288.db2.gz USSRLLXAWBOFRU-UHFFFAOYSA-N 0 1 211.280 2.410 20 0 BEADMN Cn1nccc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000335749000 386873270 /nfs/dbraw/zinc/87/32/70/386873270.db2.gz YYFSGJGSTZFPCE-QWHCGFSZSA-N 0 1 233.359 2.431 20 0 BEADMN CC[C@H]1CCN(Cc2cnns2)[C@H]1C ZINC001645350800 1172656939 /nfs/dbraw/zinc/65/69/39/1172656939.db2.gz AJEQSUQLBVEHTK-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN CCc1ncc(CN2CCCCC2)cn1 ZINC000334834958 386874188 /nfs/dbraw/zinc/87/41/88/386874188.db2.gz ALXTZANSIQITMH-UHFFFAOYSA-N 0 1 205.305 2.025 20 0 BEADMN CC(C)(C)n1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)nn1 ZINC000335750681 386877641 /nfs/dbraw/zinc/87/76/41/386877641.db2.gz UEUSHRYZZSFPDQ-YPMHNXCESA-N 0 1 248.374 2.408 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@H]3CCC[C@@H]32)nn1 ZINC000335750681 386877647 /nfs/dbraw/zinc/87/76/47/386877647.db2.gz UEUSHRYZZSFPDQ-YPMHNXCESA-N 0 1 248.374 2.408 20 0 BEADMN CC1=CCCN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000335754069 386881261 /nfs/dbraw/zinc/88/12/61/386881261.db2.gz LUZWDFYXTGOYPN-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)(O)C(C)(C)NCc1nc2ccccc2o1 ZINC000330764224 386881854 /nfs/dbraw/zinc/88/18/54/386881854.db2.gz RHZRYPZOIYGROO-UHFFFAOYSA-N 0 1 248.326 2.467 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)n[nH]1 ZINC000293810870 386882701 /nfs/dbraw/zinc/88/27/01/386882701.db2.gz GWBXXHHQQQOHMI-GFCCVEGCSA-N 0 1 249.358 2.479 20 0 BEADMN Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)nn1 ZINC000334841118 386886197 /nfs/dbraw/zinc/88/61/97/386886197.db2.gz MTGKIFOTNSYSMP-WDEREUQCSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](F)C1 ZINC000334845701 386895070 /nfs/dbraw/zinc/89/50/70/386895070.db2.gz VHPOAXCJIPQAFJ-SECBINFHSA-N 0 1 239.294 2.026 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2ccncc2C(N)=O)[C@H]1C ZINC000302218491 386915220 /nfs/dbraw/zinc/91/52/20/386915220.db2.gz KXOGTTOPNXPZHO-SCVCMEIPSA-N 0 1 247.342 2.417 20 0 BEADMN CC(F)(F)C(C)(C)c1nc(C2(N)CCC2)no1 ZINC000334864324 386919162 /nfs/dbraw/zinc/91/91/62/386919162.db2.gz BUBKPQCCSXZVHB-UHFFFAOYSA-N 0 1 245.273 2.340 20 0 BEADMN Cc1n[nH]cc1CNC(C)(C)c1ccc(C)nc1 ZINC000330812601 386895883 /nfs/dbraw/zinc/89/58/83/386895883.db2.gz KONXZINBQSNSKZ-UHFFFAOYSA-N 0 1 244.342 2.446 20 0 BEADMN CNC(C)(C)c1nc(-c2ccc(C)cc2)no1 ZINC000061151309 1172658551 /nfs/dbraw/zinc/65/85/51/1172658551.db2.gz UXJHVSJTZFPSJC-UHFFFAOYSA-N 0 1 231.299 2.500 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000334851712 386900067 /nfs/dbraw/zinc/90/00/67/386900067.db2.gz BDQOENHPBFRILG-LLVKDONJSA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000334851712 386900071 /nfs/dbraw/zinc/90/00/71/386900071.db2.gz BDQOENHPBFRILG-LLVKDONJSA-N 0 1 207.321 2.278 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000293917854 386902837 /nfs/dbraw/zinc/90/28/37/386902837.db2.gz CUOOTVDZERNYIW-ZJUUUORDSA-N 0 1 243.310 2.352 20 0 BEADMN CNC(C)(C)c1nc(-c2ccc(F)cc2)no1 ZINC000061151369 1172658027 /nfs/dbraw/zinc/65/80/27/1172658027.db2.gz TWFCXTICTWBCOB-UHFFFAOYSA-N 0 1 235.262 2.330 20 0 BEADMN Cc1sccc1-c1nc(C2(N)CCC2)no1 ZINC000334867096 386923717 /nfs/dbraw/zinc/92/37/17/386923717.db2.gz SOWOZOMDUNCGDN-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN COc1ncncc1CN1C[C@@H](C)CC[C@H]1C ZINC000648009469 386926573 /nfs/dbraw/zinc/92/65/73/386926573.db2.gz JHKYZOBAEBNMKE-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC(C)(C)C ZINC000334869170 386928244 /nfs/dbraw/zinc/92/82/44/386928244.db2.gz ZXYCFTFSSZTECM-SNVBAGLBSA-N 0 1 226.364 2.164 20 0 BEADMN CC(C)[C@](C)(CO)NCc1nc2ccccc2o1 ZINC000352895735 386938204 /nfs/dbraw/zinc/93/82/04/386938204.db2.gz WHVJEUWXMFTHAQ-AWEZNQCLSA-N 0 1 248.326 2.324 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1C ZINC000341697677 386952312 /nfs/dbraw/zinc/95/23/12/386952312.db2.gz OLDCRUBBDWOQQR-IJLUTSLNSA-N 0 1 237.347 2.028 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000341697678 386952347 /nfs/dbraw/zinc/95/23/47/386952347.db2.gz OLDCRUBBDWOQQR-QJPTWQEYSA-N 0 1 237.347 2.028 20 0 BEADMN c1ccc(CCCN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000368326617 386958599 /nfs/dbraw/zinc/95/85/99/386958599.db2.gz DAWQEPRSKDVVDG-UONOGXRCSA-N 0 1 217.312 2.092 20 0 BEADMN C[C@](N)(C(=O)NC1CCCCC1)c1ccccc1 ZINC000052880932 386960382 /nfs/dbraw/zinc/96/03/82/386960382.db2.gz QYDYOBQMUJAGNP-OAHLLOKOSA-N 0 1 246.354 2.309 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC[C@H]1C1CC1 ZINC000334891295 386964099 /nfs/dbraw/zinc/96/40/99/386964099.db2.gz ZFGHZHPBAYKHDX-LBPRGKRZSA-N 0 1 241.294 2.187 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000341831524 386968946 /nfs/dbraw/zinc/96/89/46/386968946.db2.gz UKQACZHXLRONMW-DTWKUNHWSA-N 0 1 238.335 2.054 20 0 BEADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@@H]1CC1(C)C ZINC000334903115 386976073 /nfs/dbraw/zinc/97/60/73/386976073.db2.gz IKXFGBPYWBKEFD-SNVBAGLBSA-N 0 1 233.315 2.158 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(CC)C[C@@H]1C ZINC000341838480 386977344 /nfs/dbraw/zinc/97/73/44/386977344.db2.gz GYXNHMSKGYCTCR-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](COC(F)F)C1 ZINC000353025146 386977932 /nfs/dbraw/zinc/97/79/32/386977932.db2.gz QNHLFRVPCQMBJB-RKDXNWHRSA-N 0 1 225.254 2.296 20 0 BEADMN Cc1ccnc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000334915006 386989980 /nfs/dbraw/zinc/98/99/80/386989980.db2.gz DCDNZOAIAZVYQB-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN CO[C@H](C(=O)Nc1ccc2nc[nH]c2c1)C(C)C ZINC000353012693 386990720 /nfs/dbraw/zinc/99/07/20/386990720.db2.gz ASLBSAGLPGRQLO-LBPRGKRZSA-N 0 1 247.298 2.172 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@H]1CCCOC1 ZINC000332595640 386993770 /nfs/dbraw/zinc/99/37/70/386993770.db2.gz BRBPJDVJZQPWRI-ZJUUUORDSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@H]1CCCOC1 ZINC000332595640 386993774 /nfs/dbraw/zinc/99/37/74/386993774.db2.gz BRBPJDVJZQPWRI-ZJUUUORDSA-N 0 1 246.314 2.185 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](F)C2)[nH]1 ZINC000334919125 386995697 /nfs/dbraw/zinc/99/56/97/386995697.db2.gz SHAYYADDJDVCBG-VIFPVBQESA-N 0 1 247.273 2.055 20 0 BEADMN CCC[C@H](CC)N[C@H](C)c1ncn(C)n1 ZINC000336745417 386996424 /nfs/dbraw/zinc/99/64/24/386996424.db2.gz AGQDIJLQLLARIX-ZJUUUORDSA-N 0 1 210.325 2.044 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C)nn1C ZINC000334928313 387003470 /nfs/dbraw/zinc/00/34/70/387003470.db2.gz IGMMEIGPAFZTGK-RYUDHWBXSA-N 0 1 221.348 2.491 20 0 BEADMN CC(C)CCN1CCO[C@H](COC(C)C)C1 ZINC000366743343 386950607 /nfs/dbraw/zinc/95/06/07/386950607.db2.gz XBECMSLHAHMZFA-ZDUSSCGKSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000126546224 387038180 /nfs/dbraw/zinc/03/81/80/387038180.db2.gz BFPIVNPXEGSUKY-SNVBAGLBSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1ccc(C)c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 ZINC000070076053 387042845 /nfs/dbraw/zinc/04/28/45/387042845.db2.gz XSMAOUYMKCZVGI-STQMWFEESA-N 0 1 246.354 2.126 20 0 BEADMN CCc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 ZINC000070076496 387043581 /nfs/dbraw/zinc/04/35/81/387043581.db2.gz GYPBFCGCYJGRGV-RYUDHWBXSA-N 0 1 246.354 2.071 20 0 BEADMN Cc1nccc(N(C)C2CC(O)C2)c1Cl ZINC000334964436 387044380 /nfs/dbraw/zinc/04/43/80/387044380.db2.gz DPKJMBIBFYNDLM-UHFFFAOYSA-N 0 1 226.707 2.003 20 0 BEADMN COc1ncncc1CN1CC2(CCC2)C[C@H]1C ZINC000648028933 387044383 /nfs/dbraw/zinc/04/43/83/387044383.db2.gz MUKHFUSVGFAKFB-LLVKDONJSA-N 0 1 247.342 2.250 20 0 BEADMN CCN1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1C ZINC000334966771 387048157 /nfs/dbraw/zinc/04/81/57/387048157.db2.gz FOIWQLYRJNYIKP-QWHCGFSZSA-N 0 1 247.386 2.183 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC2CCCCC2)cc1 ZINC000228073174 387065518 /nfs/dbraw/zinc/06/55/18/387065518.db2.gz CDOXPFNOYCYAKQ-AWEZNQCLSA-N 0 1 246.354 2.444 20 0 BEADMN CCCC(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000368771806 387010304 /nfs/dbraw/zinc/01/03/04/387010304.db2.gz DFRDMHWJJLXHJC-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CC(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000639469726 387013664 /nfs/dbraw/zinc/01/36/64/387013664.db2.gz XJVREGSYULBBEV-ZDUSSCGKSA-N 0 1 217.312 2.373 20 0 BEADMN Cn1cccc1CN[C@@H]1COCc2ccccc21 ZINC000334937562 387013983 /nfs/dbraw/zinc/01/39/83/387013983.db2.gz NTWVTOQYQXNMSQ-OAHLLOKOSA-N 0 1 242.322 2.386 20 0 BEADMN CC[C@H]1CCCN(Cc2nnc(C)o2)CC1 ZINC000117343705 387017812 /nfs/dbraw/zinc/01/78/12/387017812.db2.gz SRHWJSBZLPAWLP-NSHDSACASA-N 0 1 223.320 2.390 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC000519167247 387024639 /nfs/dbraw/zinc/02/46/39/387024639.db2.gz MEIZZJUNTDLWNG-LBPRGKRZSA-N 0 1 221.300 2.463 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cn1 ZINC000336224971 387066266 /nfs/dbraw/zinc/06/62/66/387066266.db2.gz RYNFDRRJWWEWJL-OAHLLOKOSA-N 0 1 246.354 2.393 20 0 BEADMN Cc1noc(C[N@@H+]2CCCC[C@@H](C)C2)n1 ZINC000334979912 387066245 /nfs/dbraw/zinc/06/62/45/387066245.db2.gz XDJGEBQWCDMSRW-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN Cc1noc(CN2CCCC[C@@H](C)C2)n1 ZINC000334979912 387066248 /nfs/dbraw/zinc/06/62/48/387066248.db2.gz XDJGEBQWCDMSRW-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN OCCC1CN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459584881 387070574 /nfs/dbraw/zinc/07/05/74/387070574.db2.gz AQAPXFRCLLCVQM-UHFFFAOYSA-N 0 1 248.301 2.121 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@@H](C)C(C)C ZINC000359230657 387071638 /nfs/dbraw/zinc/07/16/38/387071638.db2.gz YAIAWSRIVYTTBH-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CC(CC)CC ZINC000359237168 387071999 /nfs/dbraw/zinc/07/19/99/387071999.db2.gz VRUMKCKADCCXPH-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCCC(=O)N1CCNC[C@@H]1CCC ZINC000359238699 387073295 /nfs/dbraw/zinc/07/32/95/387073295.db2.gz NJYDPHKZVLRNPN-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@H](C)O)cs1 ZINC000228143817 387078777 /nfs/dbraw/zinc/07/87/77/387078777.db2.gz SYLOAXMCBFCHTC-CABZTGNLSA-N 0 1 240.372 2.187 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1ccc(F)cc1F ZINC000070965932 387084388 /nfs/dbraw/zinc/08/43/88/387084388.db2.gz WEQFGKUAYPIQHX-SCZZXKLOSA-N 0 1 227.254 2.404 20 0 BEADMN c1cnc(CN[C@@H]2CCC23CCCC3)nc1 ZINC000336257205 387088218 /nfs/dbraw/zinc/08/82/18/387088218.db2.gz BHIBMRSKWYPUHE-LLVKDONJSA-N 0 1 217.316 2.289 20 0 BEADMN Cc1c([C@H](C)NC2CC2)nnn1-c1ccccc1 ZINC000359359074 387091632 /nfs/dbraw/zinc/09/16/32/387091632.db2.gz BFWCUFWKCOGEOT-JTQLQIEISA-N 0 1 242.326 2.389 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C ZINC000334999380 387092399 /nfs/dbraw/zinc/09/23/99/387092399.db2.gz JOIZKAYTQYLNBY-NXEZZACHSA-N 0 1 243.310 2.291 20 0 BEADMN CCCCCN1CC[S@](=O)CC[C@H]1C ZINC000370204085 387096599 /nfs/dbraw/zinc/09/65/99/387096599.db2.gz MRAGSKNGDWURHV-BXUZGUMPSA-N 0 1 217.378 2.020 20 0 BEADMN CC(C)=CCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000370213861 387097026 /nfs/dbraw/zinc/09/70/26/387097026.db2.gz YKDJJKCKRHPVAC-NSHDSACASA-N 0 1 247.342 2.302 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(C(=O)c2cnccc2N)C1 ZINC000335010263 387105462 /nfs/dbraw/zinc/10/54/62/387105462.db2.gz NGCHNYQXMMRVDO-GHMZBOCLSA-N 0 1 247.342 2.002 20 0 BEADMN COC(=O)c1ccc(CN2CCC3(CC3)CC2)o1 ZINC000370317703 387106107 /nfs/dbraw/zinc/10/61/07/387106107.db2.gz QTIXSEOSWMIWCG-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN CCc1nnc(CN2CCC[C@@H](C)CC2)o1 ZINC000068830036 387106339 /nfs/dbraw/zinc/10/63/39/387106339.db2.gz YMJGFULSEVMCIR-SNVBAGLBSA-N 0 1 223.320 2.254 20 0 BEADMN Cc1nnc(CN(CC2CC2)CC2CCC2)o1 ZINC000352364708 387113082 /nfs/dbraw/zinc/11/30/82/387113082.db2.gz HRBBWFYGFGWDNB-UHFFFAOYSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCCC1(C)C ZINC000228837692 387131915 /nfs/dbraw/zinc/13/19/15/387131915.db2.gz ZCIMKQMSRIXUDI-LLVKDONJSA-N 0 1 235.331 2.161 20 0 BEADMN CCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000069092645 387113409 /nfs/dbraw/zinc/11/34/09/387113409.db2.gz SVJHZILBVASGLF-SNVBAGLBSA-N 0 1 245.326 2.326 20 0 BEADMN C[C@@H]1CCCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000335026042 387118860 /nfs/dbraw/zinc/11/88/60/387118860.db2.gz YIPXDDKTPYGOBC-OCCSQVGLSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1noc(C)c1CNCCOC1CCCC1 ZINC000070167969 387120904 /nfs/dbraw/zinc/12/09/04/387120904.db2.gz UNWZRFQPGLVPCZ-UHFFFAOYSA-N 0 1 238.331 2.340 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnccc2N)CC1(C)C ZINC000335027175 387121181 /nfs/dbraw/zinc/12/11/81/387121181.db2.gz CUCBLKNVJBFDKM-SNVBAGLBSA-N 0 1 247.342 2.002 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN)c1 ZINC000335029104 387122850 /nfs/dbraw/zinc/12/28/50/387122850.db2.gz MWWBRPAQROFCBW-MWLCHTKSSA-N 0 1 236.315 2.141 20 0 BEADMN C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1cscn1 ZINC000336316315 387141895 /nfs/dbraw/zinc/14/18/95/387141895.db2.gz SOELHCXWCCPQKN-WCBMZHEXSA-N 0 1 248.355 2.074 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@H]1C1CC1 ZINC000370756338 387144404 /nfs/dbraw/zinc/14/44/04/387144404.db2.gz DMYHXHLGRBONAH-CYBMUJFWSA-N 0 1 245.326 2.302 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571699831 387149693 /nfs/dbraw/zinc/14/96/93/387149693.db2.gz LEHJFKGPAAKXAC-NQBHXWOUSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336325303 387152521 /nfs/dbraw/zinc/15/25/21/387152521.db2.gz QSHARSLQHHFAFI-DZGCQCFKSA-N 0 1 246.354 2.391 20 0 BEADMN CC(C)c1nc2c([nH]1)CC[C@H](C(N)=O)C2 ZINC000336328165 387157374 /nfs/dbraw/zinc/15/73/74/387157374.db2.gz GOKOIQQENHWWLR-ZETCQYMHSA-N 0 1 207.277 2.173 20 0 BEADMN C[C@@H](NCC1(C)COC1)c1c(F)cncc1F ZINC000353215366 387159600 /nfs/dbraw/zinc/15/96/00/387159600.db2.gz BSVLKSLEZGUOIJ-MRVPVSSYSA-N 0 1 242.269 2.047 20 0 BEADMN c1n[nH]cc1CCNCc1csc(C2CC2)n1 ZINC000353226183 387162038 /nfs/dbraw/zinc/16/20/38/387162038.db2.gz NBTRTAQXNVTYHB-UHFFFAOYSA-N 0 1 248.355 2.076 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOC[C@@H]2C2CC2)O1 ZINC000187374212 387193135 /nfs/dbraw/zinc/19/31/35/387193135.db2.gz XYOWNPAXFULRQV-QWHCGFSZSA-N 0 1 239.359 2.055 20 0 BEADMN COC(=O)[C@@H](C)N(CCCCF)C1CCC1 ZINC000352412992 387167284 /nfs/dbraw/zinc/16/72/84/387167284.db2.gz KSHRKCJUFSEKDT-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN CC[C@H](F)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000571888846 387193305 /nfs/dbraw/zinc/19/33/05/387193305.db2.gz UJWFODKHDBTRES-YFKTTZPYSA-N 0 1 243.322 2.452 20 0 BEADMN COC(=O)[C@@H](C)N(CC[C@@H](C)F)C1CCC1 ZINC000352412176 387169191 /nfs/dbraw/zinc/16/91/91/387169191.db2.gz CQPZYCYDTRMKCV-NXEZZACHSA-N 0 1 231.311 2.151 20 0 BEADMN CC(C)CCN1CCOC[C@@H]1CC(F)F ZINC000353284361 387172011 /nfs/dbraw/zinc/17/20/11/387172011.db2.gz DGYYKPBBUTZOLR-JTQLQIEISA-N 0 1 221.291 2.389 20 0 BEADMN CCc1nnc(CN(CC2CCC2)C(C)C)[nH]1 ZINC000193208088 387178029 /nfs/dbraw/zinc/17/80/29/387178029.db2.gz ONQSWNDIDZHBCB-UHFFFAOYSA-N 0 1 236.363 2.378 20 0 BEADMN Cc1nnc(C[N@H+](CC2CCC2)C(C)C)n1C ZINC000193204642 387178716 /nfs/dbraw/zinc/17/87/16/387178716.db2.gz FUONRYFWJWSWFW-UHFFFAOYSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1nnc(CN(CC2CCC2)C(C)C)n1C ZINC000193204642 387178720 /nfs/dbraw/zinc/17/87/20/387178720.db2.gz FUONRYFWJWSWFW-UHFFFAOYSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000062935670 387185559 /nfs/dbraw/zinc/18/55/59/387185559.db2.gz XHJYEGBXZRTONV-ZDUSSCGKSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@H](F)CCN1CCC[C@H]1c1cc[nH]n1 ZINC000352422444 387187039 /nfs/dbraw/zinc/18/70/39/387187039.db2.gz ROMLXBCULVUBIX-ONGXEEELSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@@H](F)CCN1CCC[C@H]1c1cc[nH]n1 ZINC000352422442 387187823 /nfs/dbraw/zinc/18/78/23/387187823.db2.gz ROMLXBCULVUBIX-KOLCDFICSA-N 0 1 211.284 2.295 20 0 BEADMN O=C(NCC1(C2CC2)CC1)c1ccc(F)cc1O ZINC000120580488 387191277 /nfs/dbraw/zinc/19/12/77/387191277.db2.gz AYSYLJAFDCQSDZ-UHFFFAOYSA-N 0 1 249.285 2.451 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000187371344 387191651 /nfs/dbraw/zinc/19/16/51/387191651.db2.gz IHQDLHSFOHZNOH-ZJUUUORDSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000187371344 387191655 /nfs/dbraw/zinc/19/16/55/387191655.db2.gz IHQDLHSFOHZNOH-ZJUUUORDSA-N 0 1 248.330 2.303 20 0 BEADMN O=C(NCCCC1CC1)c1n[nH]c2ccccc21 ZINC000119488676 387138361 /nfs/dbraw/zinc/13/83/61/387138361.db2.gz QENULHWGODQPAV-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN Cn1ccc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000371404591 387204493 /nfs/dbraw/zinc/20/44/93/387204493.db2.gz QYPUGSWBQHZTRG-DOOHLRMFSA-N 0 1 245.370 2.431 20 0 BEADMN CC[C@H](O)CNCc1c(Cl)cccc1OC ZINC000229963089 387207779 /nfs/dbraw/zinc/20/77/79/387207779.db2.gz VIQGBJBKAODOHF-VIFPVBQESA-N 0 1 243.734 2.209 20 0 BEADMN CCCCN(C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000353475009 387210742 /nfs/dbraw/zinc/21/07/42/387210742.db2.gz IYKOXQGWBFTHLI-UHFFFAOYSA-N 0 1 248.330 2.198 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC1(O)CCC1 ZINC000353498892 387216526 /nfs/dbraw/zinc/21/65/26/387216526.db2.gz VLWZVEPQSSXUQE-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cnn(C)c2)c(C)n1 ZINC000360259568 387252923 /nfs/dbraw/zinc/25/29/23/387252923.db2.gz XKSKZBRZPZDNMS-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CCc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)o1 ZINC000093144354 387218165 /nfs/dbraw/zinc/21/81/65/387218165.db2.gz YHDWJJWSGOIHEZ-NSHDSACASA-N 0 1 225.332 2.433 20 0 BEADMN Cc1nccc(N(C)[C@H]2CCOC2)c1Cl ZINC000336389580 387218761 /nfs/dbraw/zinc/21/87/61/387218761.db2.gz XMFKCKNLHPZSJK-VIFPVBQESA-N 0 1 226.707 2.269 20 0 BEADMN Cc1noc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000336390549 387219552 /nfs/dbraw/zinc/21/95/52/387219552.db2.gz NPJUCMVCGYYDPM-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN c1ccc([C@@H]2CN(C[C@H]3CCOC3)CCO2)cc1 ZINC000336399477 387226505 /nfs/dbraw/zinc/22/65/05/387226505.db2.gz AZRJAYKURJMAPI-HIFRSBDPSA-N 0 1 247.338 2.096 20 0 BEADMN Cc1noc([C@H]2CCC[N@@H+]2CC[C@@H](C)F)n1 ZINC000353576224 387232789 /nfs/dbraw/zinc/23/27/89/387232789.db2.gz PGLLEASOBAYHEE-PSASIEDQSA-N 0 1 227.283 2.263 20 0 BEADMN Cc1noc([C@H]2CCCN2CC[C@@H](C)F)n1 ZINC000353576224 387232791 /nfs/dbraw/zinc/23/27/91/387232791.db2.gz PGLLEASOBAYHEE-PSASIEDQSA-N 0 1 227.283 2.263 20 0 BEADMN O=C1NCCCC[C@H]1N1CCC[C@H]1c1ccco1 ZINC000120319730 387232700 /nfs/dbraw/zinc/23/27/00/387232700.db2.gz IBIPPXBXKZGGEJ-NWDGAFQWSA-N 0 1 248.326 2.085 20 0 BEADMN CC(C)CC[C@H](O)CNCc1ncccc1F ZINC000572112277 387236103 /nfs/dbraw/zinc/23/61/03/387236103.db2.gz AUEPUQQEFUUORT-NSHDSACASA-N 0 1 240.322 2.107 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1c(F)cccc1F ZINC000353588174 387236734 /nfs/dbraw/zinc/23/67/34/387236734.db2.gz CIOYCIIUVNYBHF-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CN(Cc1ncccn1)[C@H]1CCC(C)(C)C1 ZINC000336412284 387240211 /nfs/dbraw/zinc/24/02/11/387240211.db2.gz OSDGQUOBIXIRPR-NSHDSACASA-N 0 1 219.332 2.487 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(C)s1 ZINC000336413717 387241882 /nfs/dbraw/zinc/24/18/82/387241882.db2.gz OSOTWTVZZZEPDC-WPRPVWTQSA-N 0 1 225.361 2.467 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cs1 ZINC000336418576 387244872 /nfs/dbraw/zinc/24/48/72/387244872.db2.gz QWFBKJYHMAGEOE-APPZFPTMSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1[C@@H]1C[C@@H]1c1ccccc1 ZINC000572136632 387249341 /nfs/dbraw/zinc/24/93/41/387249341.db2.gz JAINVQPKXJGHPQ-YXCITZCRSA-N 0 1 245.322 2.338 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NCC(F)(F)CN ZINC000423345207 387195520 /nfs/dbraw/zinc/19/55/20/387195520.db2.gz NTGMIEAJVBGOPX-ZJUUUORDSA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NCC(F)(F)CN)C1 ZINC000423345049 387195925 /nfs/dbraw/zinc/19/59/25/387195925.db2.gz NNASVTGDCXIYOK-MNOVXSKESA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)CN(CC)C1CC1 ZINC000187466621 387196709 /nfs/dbraw/zinc/19/67/09/387196709.db2.gz YYJPPAXWZDLPPY-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](NCC(F)(F)CN)[C@@H]1CCCC[C@H]1C ZINC000423347787 387198551 /nfs/dbraw/zinc/19/85/51/387198551.db2.gz RCQBTSIIPPRAHH-OUAUKWLOSA-N 0 1 234.334 2.385 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCCC12CCCC2 ZINC000423349837 387200307 /nfs/dbraw/zinc/20/03/07/387200307.db2.gz XTISCZKRHNZZST-SNVBAGLBSA-N 0 1 232.318 2.283 20 0 BEADMN COCc1ccc(CN2CCCO[C@@H](C)C2)o1 ZINC000353436573 387201376 /nfs/dbraw/zinc/20/13/76/387201376.db2.gz PHSQAEJFCXLGFY-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN COCc1ccc(CN2CCCO[C@H](C)C2)o1 ZINC000353436571 387201928 /nfs/dbraw/zinc/20/19/28/387201928.db2.gz PHSQAEJFCXLGFY-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN Fc1cnccc1CN1C2CCC1CC2 ZINC000514910754 387309856 /nfs/dbraw/zinc/30/98/56/387309856.db2.gz XLJUQGVSQNVJHN-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000514949055 387312008 /nfs/dbraw/zinc/31/20/08/387312008.db2.gz FUZILWVMIASIRQ-NTZNESFSSA-N 0 1 249.358 2.235 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000162091042 387313542 /nfs/dbraw/zinc/31/35/42/387313542.db2.gz AEHRFRHVBVQWDJ-OUAUKWLOSA-N 0 1 245.388 2.456 20 0 BEADMN CC[C@@H](C(=O)OC)N1CC[C@H](C)C(C)(C)C1 ZINC000354031941 387314015 /nfs/dbraw/zinc/31/40/15/387314015.db2.gz RLOXOGOWCOHPAR-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN C=C/C=C/CCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC001645380004 1172660926 /nfs/dbraw/zinc/66/09/26/1172660926.db2.gz LDFMLGYHXTVINY-JQSFKPKSSA-N 0 1 237.343 2.392 20 0 BEADMN CC(C)CSCCC[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000572168805 387255418 /nfs/dbraw/zinc/25/54/18/387255418.db2.gz MBKPVXZBTJPXNS-SNVBAGLBSA-N 0 1 233.377 2.171 20 0 BEADMN CC(C)=CCN[C@H](c1nncn1C)C(C)C ZINC000285302366 387257604 /nfs/dbraw/zinc/25/76/04/387257604.db2.gz HIMZPUHLFWHOJC-NSHDSACASA-N 0 1 222.336 2.068 20 0 BEADMN CC[C@H](CN[C@@H](C)c1nccs1)OC ZINC000290062315 387260306 /nfs/dbraw/zinc/26/03/06/387260306.db2.gz FRJSKJYABQNMKW-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@H](NCCCF)c1c(F)cncc1F ZINC000285703971 387281212 /nfs/dbraw/zinc/28/12/12/387281212.db2.gz OKWWAOMUSCEMAG-ZETCQYMHSA-N 0 1 218.222 2.370 20 0 BEADMN C[C@@H](NCc1cccnc1)c1cncc(F)c1 ZINC000151097407 387291237 /nfs/dbraw/zinc/29/12/37/387291237.db2.gz HWXYIPIWMIYZTO-SNVBAGLBSA-N 0 1 231.274 2.467 20 0 BEADMN c1cncc(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000372353311 387295243 /nfs/dbraw/zinc/29/52/43/387295243.db2.gz DVMFRYHUZFPMMR-HNNXBMFYSA-N 0 1 246.354 2.473 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@@H]2C[C@@H]2C)s1 ZINC000321743618 387296530 /nfs/dbraw/zinc/29/65/30/387296530.db2.gz ZPMDGMZEUGQGKJ-DJLDLDEBSA-N 0 1 225.361 2.235 20 0 BEADMN Cc1nc(CN2CCc3sccc3[C@@H]2C)n[nH]1 ZINC000336471805 387301295 /nfs/dbraw/zinc/30/12/95/387301295.db2.gz JVGKVUWEZJYIQC-QMMMGPOBSA-N 0 1 248.355 2.294 20 0 BEADMN CCCCN1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360541569 387307343 /nfs/dbraw/zinc/30/73/43/387307343.db2.gz GVTBDYUDZVVUPV-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN FC(F)(F)c1cccc(CNC2CSC2)n1 ZINC000648657586 387356062 /nfs/dbraw/zinc/35/60/62/387356062.db2.gz KWWSXRYQENNAJW-UHFFFAOYSA-N 0 1 248.273 2.305 20 0 BEADMN CC[C@@H](C)CCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000354313449 387359858 /nfs/dbraw/zinc/35/98/58/387359858.db2.gz YOHZQMVNXUBKPK-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN COc1nccc(CN2CCC(C3CC3)CC2)n1 ZINC000648592517 387363903 /nfs/dbraw/zinc/36/39/03/387363903.db2.gz JCNBYIDSFYHCSX-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1cnc(CN2CCCC[C@H](C)C2)nc1 ZINC000336544579 387366425 /nfs/dbraw/zinc/36/64/25/387366425.db2.gz PRCVMXAXTRPFFM-NSHDSACASA-N 0 1 219.332 2.407 20 0 BEADMN CC[C@@H]1C[C@@H](NCC(C)(F)F)CCO1 ZINC000648594442 387366800 /nfs/dbraw/zinc/36/68/00/387366800.db2.gz PWWSJXFLWPLUJO-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1ccnc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000336554893 387378955 /nfs/dbraw/zinc/37/89/55/387378955.db2.gz VSUJOAFFDCOCMY-TXEJJXNPSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1ccnc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000336554893 387378956 /nfs/dbraw/zinc/37/89/56/387378956.db2.gz VSUJOAFFDCOCMY-TXEJJXNPSA-N 0 1 217.316 2.017 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2ncccc2O)C1 ZINC000648606326 387381132 /nfs/dbraw/zinc/38/11/32/387381132.db2.gz URLIBHUPJUTLLO-LBPRGKRZSA-N 0 1 224.279 2.111 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1ncccc1F ZINC000648483969 387381401 /nfs/dbraw/zinc/38/14/01/387381401.db2.gz XLJYPFSPGMOGLY-KCJUWKMLSA-N 0 1 226.320 2.062 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423588730 387382443 /nfs/dbraw/zinc/38/24/43/387382443.db2.gz GZLZFZUXXRGTHP-XQHKEYJVSA-N 0 1 238.375 2.022 20 0 BEADMN CCS[C@@H]1CCC[C@H]1NCc1ccon1 ZINC000286271019 387322314 /nfs/dbraw/zinc/32/23/14/387322314.db2.gz UCAGPTGLFUIPFN-GHMZBOCLSA-N 0 1 226.345 2.438 20 0 BEADMN Cc1ccnc(NC[C@H]2CCOC[C@@H]2C)c1 ZINC000286225528 387323424 /nfs/dbraw/zinc/32/34/24/387323424.db2.gz CJHQUNLPMDOPAS-NWDGAFQWSA-N 0 1 220.316 2.475 20 0 BEADMN CC[C@H]1C[C@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000648482508 387382735 /nfs/dbraw/zinc/38/27/35/387382735.db2.gz XAZRYIOPDCIKFN-MNOVXSKESA-N 0 1 246.314 2.327 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(Cl)cn2)C1 ZINC000336504107 387328676 /nfs/dbraw/zinc/32/86/76/387328676.db2.gz YQOKISICRHGYAO-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H]1OCC[N@@H+](CC[C@@H](O)c2ccccc2)[C@H]1C ZINC000286411684 387328852 /nfs/dbraw/zinc/32/88/52/387328852.db2.gz LVYAUAARIZQSQA-GZBFAFLISA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1OCCN(CC[C@@H](O)c2ccccc2)[C@H]1C ZINC000286411684 387328857 /nfs/dbraw/zinc/32/88/57/387328857.db2.gz LVYAUAARIZQSQA-GZBFAFLISA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H]1C[C@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000648482508 387382739 /nfs/dbraw/zinc/38/27/39/387382739.db2.gz XAZRYIOPDCIKFN-MNOVXSKESA-N 0 1 246.314 2.327 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@H](C2CC2)C1 ZINC000372861297 387332160 /nfs/dbraw/zinc/33/21/60/387332160.db2.gz WEECIOFPZBMJAW-ZDUSSCGKSA-N 0 1 248.374 2.228 20 0 BEADMN O=C([O-])C[C@H]1CSCC[N@H+]1CC1CCCC1 ZINC000085611310 387333714 /nfs/dbraw/zinc/33/37/14/387333714.db2.gz LBVIJZZYSITOAN-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN COC(=O)C(C)(C)CCNc1cccc(C)n1 ZINC000354179627 387341369 /nfs/dbraw/zinc/34/13/69/387341369.db2.gz DHWKSRVMXUINRM-UHFFFAOYSA-N 0 1 236.315 2.391 20 0 BEADMN CCC[C@@]1(COC)CCC[N@H+]1CCCC(=O)[O-] ZINC000515203554 387345734 /nfs/dbraw/zinc/34/57/34/387345734.db2.gz LBUXCGCMXRFOCV-ZDUSSCGKSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCO[C@@H](C)C2)no1 ZINC000352691583 387438313 /nfs/dbraw/zinc/43/83/13/387438313.db2.gz BADBEOVDFCCHNQ-CMPLNLGQSA-N 0 1 238.331 2.230 20 0 BEADMN CCN(CCCCOC(C)(C)C)CC(=O)OC ZINC000354871217 387440797 /nfs/dbraw/zinc/44/07/97/387440797.db2.gz MHHLUQTUMQIZCF-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN C[C@@](N)(C(=O)NCCC1(C)CC1)c1ccccc1 ZINC000423922783 387450580 /nfs/dbraw/zinc/45/05/80/387450580.db2.gz ASGDZMCAXULKAK-HNNXBMFYSA-N 0 1 246.354 2.167 20 0 BEADMN Cc1noc(C)c1CN(CCCCO)C1CC1 ZINC000304233238 387451239 /nfs/dbraw/zinc/45/12/39/387451239.db2.gz JHERHAHBWSGVSA-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC[C@H](F)C2)nn1 ZINC000516062556 387453571 /nfs/dbraw/zinc/45/35/71/387453571.db2.gz CGSUHYAYAJYVSM-WDEREUQCSA-N 0 1 240.326 2.229 20 0 BEADMN Cc1ccncc1CN(C)C[C@H]1CC[C@H](C)O1 ZINC000361413468 387458087 /nfs/dbraw/zinc/45/80/87/387458087.db2.gz QFBCAFOLZNDCQL-GXTWGEPZSA-N 0 1 234.343 2.389 20 0 BEADMN COC[C@@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000122005072 387458731 /nfs/dbraw/zinc/45/87/31/387458731.db2.gz QEGWUCPJQAEJFA-UKRRQHHQSA-N 0 1 249.354 2.269 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000336562408 387389296 /nfs/dbraw/zinc/38/92/96/387389296.db2.gz ZHMPFRQHLWOLMK-STQMWFEESA-N 0 1 249.358 2.108 20 0 BEADMN CCSCCNc1cc2c(cn1)CCC2 ZINC000354544019 387392019 /nfs/dbraw/zinc/39/20/19/387392019.db2.gz QMDUGGJZLXTZNW-UHFFFAOYSA-N 0 1 222.357 2.157 20 0 BEADMN COC(=O)CCN1Cc2ccccc2[C@H]1C ZINC000361071467 387396215 /nfs/dbraw/zinc/39/62/15/387396215.db2.gz AKWISIQQMZWBML-SNVBAGLBSA-N 0 1 219.284 2.126 20 0 BEADMN Cc1ccc(CCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000354578008 387397691 /nfs/dbraw/zinc/39/76/91/387397691.db2.gz SGSQFXPFDZVOKH-OKILXGFUSA-N 0 1 248.370 2.432 20 0 BEADMN C[N@@H+](CCCc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000572413792 387411403 /nfs/dbraw/zinc/41/14/03/387411403.db2.gz UTZJIQMCFKVNLP-AWEZNQCLSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@@H](C)[C@H](O)CNc1cc(C)ccn1 ZINC000268295550 387415186 /nfs/dbraw/zinc/41/51/86/387415186.db2.gz FRTUVDMAZQZMJC-GHMZBOCLSA-N 0 1 208.305 2.209 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000336588927 387415080 /nfs/dbraw/zinc/41/50/80/387415080.db2.gz STHLYCSUFDMCMN-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CCSCCN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354709073 387419861 /nfs/dbraw/zinc/41/98/61/387419861.db2.gz PTSOBIURDVZKTF-STQMWFEESA-N 0 1 241.400 2.383 20 0 BEADMN CCC1(NC(=O)CN2CCC(C)CC2)CCC1 ZINC000354709957 387420060 /nfs/dbraw/zinc/42/00/60/387420060.db2.gz MNSQGRYKWQPJSO-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H](O)CCCN1CCc2cccc(F)c2C1 ZINC000354721904 387420939 /nfs/dbraw/zinc/42/09/39/387420939.db2.gz BQACEAWRTXQFLW-NSHDSACASA-N 0 1 237.318 2.345 20 0 BEADMN Cn1cccc1C(=O)CN(CC1CC1)C1CCC1 ZINC000361570136 387496442 /nfs/dbraw/zinc/49/64/42/387496442.db2.gz AKWCDOUVHASXPG-UHFFFAOYSA-N 0 1 246.354 2.472 20 0 BEADMN c1cn(C2CN(CCC3CCCCC3)C2)nn1 ZINC000361585675 387501037 /nfs/dbraw/zinc/50/10/37/387501037.db2.gz QVONSVSJRAQITC-UHFFFAOYSA-N 0 1 234.347 2.105 20 0 BEADMN C[C@@H](NCCOC1CCCCC1)c1ccncn1 ZINC000395896105 387501674 /nfs/dbraw/zinc/50/16/74/387501674.db2.gz OGYFHUALHAJOLI-GFCCVEGCSA-N 0 1 249.358 2.477 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1ccncn1 ZINC000395884074 387502042 /nfs/dbraw/zinc/50/20/42/387502042.db2.gz DAADXMBUKLEFKF-GFCCVEGCSA-N 0 1 237.347 2.190 20 0 BEADMN CC[C@@H]1CN(CCN(C)c2ccccc2)CCO1 ZINC000085785040 387502396 /nfs/dbraw/zinc/50/23/96/387502396.db2.gz IFFMXDSBQVKABS-OAHLLOKOSA-N 0 1 248.370 2.234 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CC[C@H](C)O2)CCO1 ZINC000355280384 387512553 /nfs/dbraw/zinc/51/25/53/387512553.db2.gz NFGGQDYEIYDWDW-RWMBFGLXSA-N 0 1 227.348 2.055 20 0 BEADMN COC(=O)[C@H](C)N(C)CCCCOC(C)(C)C ZINC000361645345 387516750 /nfs/dbraw/zinc/51/67/50/387516750.db2.gz RJXIVSLVHLJMHT-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)CCCN1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361651384 387518624 /nfs/dbraw/zinc/51/86/24/387518624.db2.gz CSVFKWGYGYQWKI-VXGBXAGGSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cc(F)ccc1COCCc1c[nH]nn1 ZINC000516555621 387522602 /nfs/dbraw/zinc/52/26/02/387522602.db2.gz RVMLLHHCQOBRFZ-UHFFFAOYSA-N 0 1 235.262 2.012 20 0 BEADMN CCCCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000361749098 387529075 /nfs/dbraw/zinc/52/90/75/387529075.db2.gz JCKQVJFFSSJXNN-LLVKDONJSA-N 0 1 228.380 2.412 20 0 BEADMN Cc1cccnc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000396997661 387531421 /nfs/dbraw/zinc/53/14/21/387531421.db2.gz DNWJFZVLWQGXOM-NWDGAFQWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cccnc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000396997658 387531816 /nfs/dbraw/zinc/53/18/16/387531816.db2.gz DNWJFZVLWQGXOM-NEPJUHHUSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H](O)CN1CCc2ccc(Cl)cc2C1 ZINC000192772688 387531934 /nfs/dbraw/zinc/53/19/34/387531934.db2.gz LSSGIGLASNLIEH-SECBINFHSA-N 0 1 225.719 2.079 20 0 BEADMN COC1(CNCc2ncc[nH]2)CCC(C)CC1 ZINC000355422671 387536004 /nfs/dbraw/zinc/53/60/04/387536004.db2.gz RDICCMKFMIXWMT-UHFFFAOYSA-N 0 1 237.347 2.095 20 0 BEADMN CC(C)[C@H]1CCN([C@H](C)c2nnnn2C2CC2)C1 ZINC000361834814 387540932 /nfs/dbraw/zinc/54/09/32/387540932.db2.gz WZHBGDUVSYGOPZ-MNOVXSKESA-N 0 1 249.362 2.047 20 0 BEADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](O)C1 ZINC000304336118 387465568 /nfs/dbraw/zinc/46/55/68/387465568.db2.gz WDLDKIOERQPSRL-GXFFZTMASA-N 0 1 241.281 2.483 20 0 BEADMN CC(C)(O)CNCc1coc(-c2ccccc2)n1 ZINC000304346627 387469020 /nfs/dbraw/zinc/46/90/20/387469020.db2.gz DNDANIGXRJLHSW-UHFFFAOYSA-N 0 1 246.310 2.202 20 0 BEADMN Cc1cnc(CN(C(C)C)C(C)C)nc1 ZINC000352767891 387469442 /nfs/dbraw/zinc/46/94/42/387469442.db2.gz DDFYQLRQYWNTRF-UHFFFAOYSA-N 0 1 207.321 2.404 20 0 BEADMN CC[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000304421055 387478010 /nfs/dbraw/zinc/47/80/10/387478010.db2.gz JSEWSYJFMFXPMQ-WHOHXGKFSA-N 0 1 227.348 2.352 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C)C[C@H](C)N1 ZINC000424074433 387479003 /nfs/dbraw/zinc/47/90/03/387479003.db2.gz HFBPCYKPDBMTTO-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H](C)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000421912867 387487036 /nfs/dbraw/zinc/48/70/36/387487036.db2.gz KLJQYASLKXIQTO-JTQLQIEISA-N 0 1 245.326 2.268 20 0 BEADMN CCc1ccc(CN[C@@H](C)c2cnn(C)c2)cn1 ZINC000352800431 387489782 /nfs/dbraw/zinc/48/97/82/387489782.db2.gz ZTISYXKPQYEILC-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN Cc1nnc(CN[C@H](C)Cc2ccoc2)s1 ZINC000648509836 387490842 /nfs/dbraw/zinc/49/08/42/387490842.db2.gz GASXHDLVQIFMCC-MRVPVSSYSA-N 0 1 237.328 2.160 20 0 BEADMN CCOc1ncccc1NCc1[nH]ncc1C ZINC000352802574 387492651 /nfs/dbraw/zinc/49/26/51/387492651.db2.gz UKOWSIOMEBWEFJ-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN Cc1cnc([C@H](C)NCCC2(O)CCC2)s1 ZINC000396797273 387492866 /nfs/dbraw/zinc/49/28/66/387492866.db2.gz SNIUAIIQTUROLS-JTQLQIEISA-N 0 1 240.372 2.407 20 0 BEADMN CC(C)n1cncc1CN[C@@H](C)c1cnn(C)c1 ZINC000336785061 387581971 /nfs/dbraw/zinc/58/19/71/387581971.db2.gz BANCSSZEJXTWIM-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN CC[C@H]1CCCCN1Cc1cn2cccnc2n1 ZINC000123847322 387595226 /nfs/dbraw/zinc/59/52/26/387595226.db2.gz BHDFYTSOSFYSLE-ZDUSSCGKSA-N 0 1 244.342 2.494 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1c(O)cccc1F ZINC000122764543 387595554 /nfs/dbraw/zinc/59/55/54/387595554.db2.gz IKCBWYXWTZMMFK-MRVPVSSYSA-N 0 1 225.263 2.402 20 0 BEADMN CCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375967725 387598221 /nfs/dbraw/zinc/59/82/21/387598221.db2.gz FHUDMTYCGCZCKQ-UHFFFAOYSA-N 0 1 235.331 2.224 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CC(C)=C[C@H](C)C2)n1 ZINC000430272851 387605334 /nfs/dbraw/zinc/60/53/34/387605334.db2.gz CDFHJTKZLRIMFL-CABZTGNLSA-N 0 1 247.342 2.450 20 0 BEADMN COC(=O)c1ccc(CN2CC(C)=C[C@H](C)C2)o1 ZINC000430272235 387605549 /nfs/dbraw/zinc/60/55/49/387605549.db2.gz ZXYHHOKVQVSLNW-JTQLQIEISA-N 0 1 249.310 2.464 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCCO2)ccn1 ZINC000527539507 387608712 /nfs/dbraw/zinc/60/87/12/387608712.db2.gz QZXLYYZFWCCBBA-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1csc(CN2CCC[C@@H](C)[C@H]2CO)n1 ZINC000305695648 387629347 /nfs/dbraw/zinc/62/93/47/387629347.db2.gz UJDCFKUQCPHWBT-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356071078 387613797 /nfs/dbraw/zinc/61/37/97/387613797.db2.gz ZFUDTGKAFQCFPL-JQWIXIFHSA-N 0 1 225.332 2.084 20 0 BEADMN C[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426236438 387551065 /nfs/dbraw/zinc/55/10/65/387551065.db2.gz HKKIPBDNDNWHAN-MRVWCRGKSA-N 0 1 234.343 2.378 20 0 BEADMN CC[C@H](O)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000305091585 387551308 /nfs/dbraw/zinc/55/13/08/387551308.db2.gz PYDXMKNMHNDSHZ-GJZGRUSLSA-N 0 1 249.354 2.005 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1nccs1 ZINC000226234950 387552784 /nfs/dbraw/zinc/55/27/84/387552784.db2.gz JBIMOBORNKPCHW-IVZWLZJFSA-N 0 1 226.345 2.361 20 0 BEADMN CCCc1nc(C)c(CN[C@@H](C)[C@H](C)OC)o1 ZINC000426344961 387556211 /nfs/dbraw/zinc/55/62/11/387556211.db2.gz VOIKVGUCPLGCBE-ONGXEEELSA-N 0 1 240.347 2.449 20 0 BEADMN CCCc1nc(C)c(CN[C@H](C)COCC)o1 ZINC000426345841 387556958 /nfs/dbraw/zinc/55/69/58/387556958.db2.gz FJBPUKFKNHDKED-SNVBAGLBSA-N 0 1 240.347 2.450 20 0 BEADMN CCc1cccc(Cl)c1CN(C)CCO ZINC000355607605 387556953 /nfs/dbraw/zinc/55/69/53/387556953.db2.gz NJNYXOCMRWRLDZ-UHFFFAOYSA-N 0 1 227.735 2.327 20 0 BEADMN C[C@H](O)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000375612012 387557603 /nfs/dbraw/zinc/55/76/03/387557603.db2.gz LQNLBMGCTFFYAD-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN Cc1nccc(N(C)CC2(CO)CC2)c1Cl ZINC000355676672 387566559 /nfs/dbraw/zinc/56/65/59/387566559.db2.gz BLPVMXVQOJIBGW-UHFFFAOYSA-N 0 1 240.734 2.252 20 0 BEADMN CCCCCN1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000362072439 387567217 /nfs/dbraw/zinc/56/72/17/387567217.db2.gz NDSPPHZHMSOLBF-GHMZBOCLSA-N 0 1 217.378 2.018 20 0 BEADMN Cc1n[nH]cc1CN[C@H]1CCc2c1cccc2O ZINC000038011361 387570372 /nfs/dbraw/zinc/57/03/72/387570372.db2.gz BBPKRRKMNRHDGH-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN c1c(CNCc2ccccc2)nc2ncccn12 ZINC000355724497 387572060 /nfs/dbraw/zinc/57/20/60/387572060.db2.gz GJLDYXLWTJUXBS-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN COC(=O)c1occc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426463932 387572299 /nfs/dbraw/zinc/57/22/99/387572299.db2.gz ZLSPOYGVKYLERN-ZYHUDNBSSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1occc1CN1CC[C@H]2CCC[C@H]21 ZINC000426463932 387572301 /nfs/dbraw/zinc/57/23/01/387572301.db2.gz ZLSPOYGVKYLERN-ZYHUDNBSSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426482288 387574319 /nfs/dbraw/zinc/57/43/19/387574319.db2.gz KIANGKMYVFVQBK-PWSUYJOCSA-N 0 1 249.310 2.441 20 0 BEADMN C(CN1CCOCC12CCCC2)OC1CCC1 ZINC000376512676 387645992 /nfs/dbraw/zinc/64/59/92/387645992.db2.gz BXTQRZRQQLDCSC-UHFFFAOYSA-N 0 1 239.359 2.201 20 0 BEADMN CCC[C@H](CC)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000362699014 387650818 /nfs/dbraw/zinc/65/08/18/387650818.db2.gz MDZNULPWYMRCKC-JTQLQIEISA-N 0 1 237.347 2.382 20 0 BEADMN CCOc1ncccc1CNCc1ccn(C)c1 ZINC000123152148 387659850 /nfs/dbraw/zinc/65/98/50/387659850.db2.gz YUCNZRAVVBCFLU-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CC(C)CC1(C)CCN(C(=O)CN(C)C)CC1 ZINC000356461046 387661369 /nfs/dbraw/zinc/66/13/69/387661369.db2.gz WEIZTBUXJFWQDF-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C[C@@H](SCc1n[nH]c(C(C)(C)C)n1)[C@H](C)O ZINC000430966045 387665179 /nfs/dbraw/zinc/66/51/79/387665179.db2.gz NPWVLQYXHMCBAL-JGVFFNPUSA-N 0 1 243.376 2.105 20 0 BEADMN CC(C)COCC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000376737645 387666900 /nfs/dbraw/zinc/66/69/00/387666900.db2.gz BDVCTRSGMUXHCH-OCCSQVGLSA-N 0 1 241.375 2.158 20 0 BEADMN CC(C)COCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000376737645 387666903 /nfs/dbraw/zinc/66/69/03/387666903.db2.gz BDVCTRSGMUXHCH-OCCSQVGLSA-N 0 1 241.375 2.158 20 0 BEADMN C[C@H](NCc1ncccn1)[C@@H]1C[C@H]1C1CC1 ZINC000527724835 387677034 /nfs/dbraw/zinc/67/70/34/387677034.db2.gz CJQPFOYHMWRFFP-DLOVCJGASA-N 0 1 217.316 2.001 20 0 BEADMN CCn1nncc1CNCc1ccc(F)cc1C ZINC000527726711 387677458 /nfs/dbraw/zinc/67/74/58/387677458.db2.gz KEJZBSHXAIGDTL-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CCCCC[C@@H]1CCCN1Cc1ncnn1C ZINC000362951264 387678056 /nfs/dbraw/zinc/67/80/56/387678056.db2.gz LQWZEMWXEMSAHG-GFCCVEGCSA-N 0 1 236.363 2.360 20 0 BEADMN CCOC(=O)C1CCN(C[C@@H](F)CC)CC1 ZINC000440715656 387682255 /nfs/dbraw/zinc/68/22/55/387682255.db2.gz XBAANNPJNHWEET-NSHDSACASA-N 0 1 231.311 2.010 20 0 BEADMN CC[C@@H](F)CN(C)CCc1nccs1 ZINC000440759935 387687614 /nfs/dbraw/zinc/68/76/14/387687614.db2.gz DAGMKWBNQGIOJV-SECBINFHSA-N 0 1 216.325 2.366 20 0 BEADMN C[C@H](O)CN(C)Cc1ccc(Cl)cc1F ZINC000163515922 387691790 /nfs/dbraw/zinc/69/17/90/387691790.db2.gz YQSTYFULVGJPPZ-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ncccc1F ZINC000527827510 387745622 /nfs/dbraw/zinc/74/56/22/387745622.db2.gz DPNPECNXUMFYTH-FYLLDIAZSA-N 0 1 238.306 2.437 20 0 BEADMN C[C@@H](C(=O)NCCCC(C)(C)C)N1CC(C)C1 ZINC000521459555 387751005 /nfs/dbraw/zinc/75/10/05/387751005.db2.gz ZFGDFPCHBGYNGB-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN COc1ccc(CCN2CCOC(C)(C)C2)cc1 ZINC000127143376 387705408 /nfs/dbraw/zinc/70/54/08/387705408.db2.gz CGLCPLKTURVMJL-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN CCCCNC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000127076993 387706512 /nfs/dbraw/zinc/70/65/12/387706512.db2.gz OFUWNEJIMIEEAB-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1nnc(CN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)o1 ZINC000452042240 387710169 /nfs/dbraw/zinc/71/01/69/387710169.db2.gz LPXNZDHSNHYKBW-OWTLIXCDSA-N 0 1 247.342 2.246 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000422816663 387713901 /nfs/dbraw/zinc/71/39/01/387713901.db2.gz FQNDHXUUFWIHGG-SRVKXCTJSA-N 0 1 240.391 2.268 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000377395810 387714395 /nfs/dbraw/zinc/71/43/95/387714395.db2.gz ARUYEKIIZRZPPE-NSHDSACASA-N 0 1 241.237 2.186 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000422816664 387714660 /nfs/dbraw/zinc/71/46/60/387714660.db2.gz FQNDHXUUFWIHGG-TUAOUCFPSA-N 0 1 240.391 2.268 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC1(C)COC1 ZINC000431603868 387721528 /nfs/dbraw/zinc/72/15/28/387721528.db2.gz LBOWFCFQJXNMSS-UHFFFAOYSA-N 0 1 246.310 2.296 20 0 BEADMN Cc1nocc1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527803107 387725269 /nfs/dbraw/zinc/72/52/69/387725269.db2.gz VAXDFBWSEATJGP-NEPJUHHUSA-N 0 1 224.304 2.029 20 0 BEADMN CC[C@H]1COCCN1Cc1ccccc1 ZINC000115577816 387725915 /nfs/dbraw/zinc/72/59/15/387725915.db2.gz YCORPOVSMZYFCG-ZDUSSCGKSA-N 0 1 205.301 2.297 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CCC(C)(C)C)CCN1C ZINC000356849639 387726673 /nfs/dbraw/zinc/72/66/73/387726673.db2.gz LLPUSBDIBHPTBL-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN O=C(OC1CCCCC1)C12CCCN1CCC2 ZINC000377555781 387727665 /nfs/dbraw/zinc/72/76/65/387727665.db2.gz DINFNCDREAQJSB-UHFFFAOYSA-N 0 1 237.343 2.491 20 0 BEADMN COC[C@@H]1CCCN(Cc2ncc(C)o2)CC1 ZINC000452077119 387729750 /nfs/dbraw/zinc/72/97/50/387729750.db2.gz FPNKMJYAIBXWRR-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CC(C)CCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367598629 387730603 /nfs/dbraw/zinc/73/06/03/387730603.db2.gz FULSIQZYACAUEP-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)C(C)(C)C ZINC000356855537 387734048 /nfs/dbraw/zinc/73/40/48/387734048.db2.gz QDBAUSVUIUOEFP-QJPTWQEYSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356868804 387735848 /nfs/dbraw/zinc/73/58/48/387735848.db2.gz ZEOUAMBSSPGKQI-UPJWGTAASA-N 0 1 240.391 2.220 20 0 BEADMN CCCn1ncnc1CN1CCC2(CCC2)CC1 ZINC000367622433 387736379 /nfs/dbraw/zinc/73/63/79/387736379.db2.gz HLOLGSNKXGICNZ-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCC[C@H]2O)o1 ZINC000356993860 387762969 /nfs/dbraw/zinc/76/29/69/387762969.db2.gz XZCNUEZGBQHHME-SDDRHHMPSA-N 0 1 238.331 2.137 20 0 BEADMN Cc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000212299364 387772632 /nfs/dbraw/zinc/77/26/32/387772632.db2.gz NENZGMFNDBUBDZ-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCCC(C)(F)F ZINC000452212257 387772726 /nfs/dbraw/zinc/77/27/26/387772726.db2.gz HVNDBFGMJFBACA-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCC[C@@H]1C1CCC1 ZINC000648704311 387774985 /nfs/dbraw/zinc/77/49/85/387774985.db2.gz HDKHNCPLKBSULJ-GFCCVEGCSA-N 0 1 233.315 2.205 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2cn(CC3CC3)nn2)C1 ZINC000450454546 387776115 /nfs/dbraw/zinc/77/61/15/387776115.db2.gz LVMGASSPPDLRAS-VXGBXAGGSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1(CC(C)C)CC1 ZINC000441823220 387779880 /nfs/dbraw/zinc/77/98/80/387779880.db2.gz LSCREDNBAVXRCB-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](CC)c1nccn1C ZINC000527975336 387812986 /nfs/dbraw/zinc/81/29/86/387812986.db2.gz VGGJDAPLVBOXFE-LOWVWBTDSA-N 0 1 237.347 2.028 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000050924602 387796220 /nfs/dbraw/zinc/79/62/20/387796220.db2.gz IDTBSOZOJFCEHZ-ZDUSSCGKSA-N 0 1 248.326 2.301 20 0 BEADMN O=C(NC(CF)CF)c1ccc(O)c(Cl)c1 ZINC000452323454 387803589 /nfs/dbraw/zinc/80/35/89/387803589.db2.gz CKGBREPPNKOTDD-UHFFFAOYSA-N 0 1 249.644 2.083 20 0 BEADMN CC[C@@H](NCc1cccnc1C)c1cnn(C)c1 ZINC000527988864 387803749 /nfs/dbraw/zinc/80/37/49/387803749.db2.gz VXKDGKODSIVYMC-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN CC[C@H](NCc1cccnc1C)c1cnn(C)c1 ZINC000527988863 387804010 /nfs/dbraw/zinc/80/40/10/387804010.db2.gz VXKDGKODSIVYMC-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000055422377 387831860 /nfs/dbraw/zinc/83/18/60/387831860.db2.gz FRLAWILIGZEQKW-ZDUSSCGKSA-N 0 1 244.269 2.464 20 0 BEADMN N[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000055368249 387831983 /nfs/dbraw/zinc/83/19/83/387831983.db2.gz BDMYDRWKTKPPHW-ZDUSSCGKSA-N 0 1 244.269 2.464 20 0 BEADMN c1nc(C[N@H+]2CCC[C@H]2C2CCOCC2)co1 ZINC000432923810 387840255 /nfs/dbraw/zinc/84/02/55/387840255.db2.gz VDOCATKCZKEARU-ZDUSSCGKSA-N 0 1 236.315 2.066 20 0 BEADMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cocn1 ZINC000432926866 387841244 /nfs/dbraw/zinc/84/12/44/387841244.db2.gz DKODGLURTIYQKO-ZDUSSCGKSA-N 0 1 238.331 2.048 20 0 BEADMN CC(C)C[C@]1(CO)CCCN1Cc1cocn1 ZINC000432926866 387841245 /nfs/dbraw/zinc/84/12/45/387841245.db2.gz DKODGLURTIYQKO-ZDUSSCGKSA-N 0 1 238.331 2.048 20 0 BEADMN CC(C)N(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442801833 387843435 /nfs/dbraw/zinc/84/34/35/387843435.db2.gz PYNNJHWQXLGGMV-UHFFFAOYSA-N 0 1 221.226 2.269 20 0 BEADMN Cc1cc(F)c(CN[C@H]2CCOC2)c(F)c1 ZINC000424163568 387846149 /nfs/dbraw/zinc/84/61/49/387846149.db2.gz VLPQGUGNFAYICI-VIFPVBQESA-N 0 1 227.254 2.152 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@H]2O)o1 ZINC000393181152 387859292 /nfs/dbraw/zinc/85/92/92/387859292.db2.gz BULWAFREOGFNQZ-OHBODLIOSA-N 0 1 221.300 2.016 20 0 BEADMN COc1ccnc(CNC2CCCCCC2)n1 ZINC000424170275 387861213 /nfs/dbraw/zinc/86/12/13/387861213.db2.gz JUQRATYZHVCUIB-UHFFFAOYSA-N 0 1 235.331 2.298 20 0 BEADMN Cc1nc(CNC[C@@]2(O)CCC[C@@H]2C)cs1 ZINC000328081214 387863895 /nfs/dbraw/zinc/86/38/95/387863895.db2.gz GSEXNQZSLQTLQH-CABZTGNLSA-N 0 1 240.372 2.092 20 0 BEADMN CCn1nccc1CN[C@@H]1CCCC[C@H]1F ZINC000393221765 387874553 /nfs/dbraw/zinc/87/45/53/387874553.db2.gz PVDRUPYPDJXOQN-VXGBXAGGSA-N 0 1 225.311 2.273 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@@H](C)C2)n1 ZINC000424172500 387869832 /nfs/dbraw/zinc/86/98/32/387869832.db2.gz OEWDZMRKCBNTGB-GHMZBOCLSA-N 0 1 235.331 2.154 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ncccc1F ZINC000528035073 387818127 /nfs/dbraw/zinc/81/81/27/387818127.db2.gz DPDMMPQCZQLIMC-NHCYSSNCSA-N 0 1 238.306 2.439 20 0 BEADMN OCC[C@H](NCC1=CCCC1)c1ccco1 ZINC000645860184 387879780 /nfs/dbraw/zinc/87/97/80/387879780.db2.gz JIKUIJSXVAVKQS-LBPRGKRZSA-N 0 1 221.300 2.403 20 0 BEADMN O=C([C@H]1CC=CCC1)N1CCN2CCCC[C@H]2C1 ZINC000195080179 387905389 /nfs/dbraw/zinc/90/53/89/387905389.db2.gz QWWKOBYROVRFBT-KBPBESRZSA-N 0 1 248.370 2.039 20 0 BEADMN CC[C@@H]1CCCN(CC(=O)Nc2ccncc2)C1 ZINC000195133708 387908171 /nfs/dbraw/zinc/90/81/71/387908171.db2.gz WGDICWPFTBVLKR-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN Cc1cn[nH]c1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424189458 387910556 /nfs/dbraw/zinc/91/05/56/387910556.db2.gz DQFXZSQAQMZLIN-UONOGXRCSA-N 0 1 245.301 2.445 20 0 BEADMN CCCN1CCC[C@H]1C(=O)N[C@@H](C)C(C)(F)F ZINC000452858124 387931435 /nfs/dbraw/zinc/93/14/35/387931435.db2.gz HGOJIPJMCVLGHO-UWVGGRQHSA-N 0 1 248.317 2.021 20 0 BEADMN CCOCCOC1CN(CC(CC)CC)C1 ZINC000459456993 387945443 /nfs/dbraw/zinc/94/54/43/387945443.db2.gz HWKVNBHVMFRNOD-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN COC(=O)c1coc([C@@H](C)N[C@@H]2CC23CC3)c1 ZINC000424315212 387966194 /nfs/dbraw/zinc/96/61/94/387966194.db2.gz DGDCHZKREQHCSL-LDYMZIIASA-N 0 1 235.283 2.269 20 0 BEADMN COC(=O)c1coc([C@H](C)N[C@@H]2CC23CC3)c1 ZINC000424315209 387966584 /nfs/dbraw/zinc/96/65/84/387966584.db2.gz DGDCHZKREQHCSL-GZMMTYOYSA-N 0 1 235.283 2.269 20 0 BEADMN C[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C(F)(F)F ZINC000424321995 387971158 /nfs/dbraw/zinc/97/11/58/387971158.db2.gz KXBCOXNWVNKHAD-NRPADANISA-N 0 1 236.281 2.010 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000453075158 387979756 /nfs/dbraw/zinc/97/97/56/387979756.db2.gz IHUMOAQQFRKDHV-WOPDTQHZSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@H](C)N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453056856 387974302 /nfs/dbraw/zinc/97/43/02/387974302.db2.gz LVRXTHCLZXFWMW-ZANVPECISA-N 0 1 248.305 2.421 20 0 BEADMN CC/C=C/CCN1CCNC(=O)[C@@]1(C)CCC ZINC000445894931 387976474 /nfs/dbraw/zinc/97/64/74/387976474.db2.gz RORRPCWFKBPDNK-PSKZRQQASA-N 0 1 238.375 2.333 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](COC)C(C)C ZINC000453114024 387988213 /nfs/dbraw/zinc/98/82/13/387988213.db2.gz FZRXEJODBHQPQW-NWDGAFQWSA-N 0 1 239.363 2.225 20 0 BEADMN CCC[C@](C)(O)CN[C@H](C)c1nccn1CC ZINC000453120750 387989023 /nfs/dbraw/zinc/98/90/23/387989023.db2.gz NBOLXEYBTDRRPI-YPMHNXCESA-N 0 1 239.363 2.105 20 0 BEADMN CC(C)CN(C(=O)CN1[C@H](C)C[C@H]1C)C(C)C ZINC000548096960 387990560 /nfs/dbraw/zinc/99/05/60/387990560.db2.gz ACQSERSMTBJRGW-CHWSQXEVSA-N 0 1 240.391 2.362 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000245917633 387992909 /nfs/dbraw/zinc/99/29/09/387992909.db2.gz NJSPWABUEBAHAY-NEPJUHHUSA-N 0 1 221.348 2.381 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446074109 387995446 /nfs/dbraw/zinc/99/54/46/387995446.db2.gz QQFXRUUNDQGKJK-YNEHKIRRSA-N 0 1 229.364 2.301 20 0 BEADMN Cc1nc(C(F)F)n(CCN2CCCCC2)n1 ZINC000439191325 387982782 /nfs/dbraw/zinc/98/27/82/387982782.db2.gz MSLASJBOKDXVJF-UHFFFAOYSA-N 0 1 244.289 2.010 20 0 BEADMN Cc1n[nH]cc1CN1CCS[C@H](C)[C@H]1C ZINC000245768310 387983266 /nfs/dbraw/zinc/98/32/66/387983266.db2.gz RFPVCHKRLZJQPS-NXEZZACHSA-N 0 1 225.361 2.044 20 0 BEADMN CCn1cc(CN2CCS[C@H](C)[C@H]2C)cn1 ZINC000245807109 387984720 /nfs/dbraw/zinc/98/47/20/387984720.db2.gz YUDJVQZSFKAEED-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN CC/C=C\CCN1CCNC(=O)[C@@H]1CC(C)C ZINC000446003745 387984866 /nfs/dbraw/zinc/98/48/66/387984866.db2.gz LCVVFVSFYRUDEN-SZZPACECSA-N 0 1 238.375 2.189 20 0 BEADMN CCO[C@@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424347822 387985988 /nfs/dbraw/zinc/98/59/88/387985988.db2.gz SLUZPUYNDOFFDV-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)[C@@H](C)[C@@H](C)O1 ZINC000446083337 387997428 /nfs/dbraw/zinc/99/74/28/387997428.db2.gz QXYIRIRRKJSRJL-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)cc2)[C@@H](C)[C@H](C)O1 ZINC000446080657 387998338 /nfs/dbraw/zinc/99/83/38/387998338.db2.gz SSMVMHZEUXULJN-AGIUHOORSA-N 0 1 249.354 2.177 20 0 BEADMN COc1ncccc1CN(C)CCCSC ZINC000439472875 388001000 /nfs/dbraw/zinc/00/10/00/388001000.db2.gz TUCXTOWHOKTYRN-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN COc1cc2[nH]c(-c3csnn3)nc2cc1C ZINC000446148759 388004784 /nfs/dbraw/zinc/00/47/84/388004784.db2.gz WZQKVZSCZBZTIP-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN CCC[C@H](NCC(F)(F)CO)C(C)(C)C ZINC000453189166 388004924 /nfs/dbraw/zinc/00/49/24/388004924.db2.gz ARKAZULLJPCWSB-VIFPVBQESA-N 0 1 223.307 2.418 20 0 BEADMN CCC[C@@H](NCC(F)(F)CO)C(C)(C)C ZINC000453189164 388005079 /nfs/dbraw/zinc/00/50/79/388005079.db2.gz ARKAZULLJPCWSB-SECBINFHSA-N 0 1 223.307 2.418 20 0 BEADMN CCOC(C)(C)CN[C@@H](C)c1nccn1CC ZINC000453201555 388007902 /nfs/dbraw/zinc/00/79/02/388007902.db2.gz TYOUWDQDEHWLAX-NSHDSACASA-N 0 1 239.363 2.369 20 0 BEADMN CCc1nnc(CN(CC)CC(C)C)o1 ZINC000046064648 388007964 /nfs/dbraw/zinc/00/79/64/388007964.db2.gz NNANGRIPXYSSNJ-UHFFFAOYSA-N 0 1 211.309 2.110 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453204380 388009608 /nfs/dbraw/zinc/00/96/08/388009608.db2.gz BPVMUBYGKKDJSJ-VOAKCMCISA-N 0 1 249.358 2.436 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453204376 388010209 /nfs/dbraw/zinc/01/02/09/388010209.db2.gz BPVMUBYGKKDJSJ-CYDGBPFRSA-N 0 1 249.358 2.436 20 0 BEADMN CN(C(=O)CN1CCCCC1)C1CCCCC1 ZINC000066212448 388026115 /nfs/dbraw/zinc/02/61/15/388026115.db2.gz BRSCTELLYYNMKY-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1nccn1CC)OC ZINC000453244896 388023126 /nfs/dbraw/zinc/02/31/26/388023126.db2.gz HQBVPRXYOZTYTJ-NEPJUHHUSA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@H](N[C@H]1CCOC[C@@H]1C)C(F)F ZINC000453246098 388023348 /nfs/dbraw/zinc/02/33/48/388023348.db2.gz LZIBAHHLCFNWKJ-CIUDSAMLSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc2nc(N3CC(N(C)C)C3)oc2c(C)c1 ZINC000450413752 388042840 /nfs/dbraw/zinc/04/28/40/388042840.db2.gz UWYHDYZSFOQQPX-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN CC/C=C\CN[C@@H](C)c1cc(C)n(C)n1 ZINC000453314275 388043219 /nfs/dbraw/zinc/04/32/19/388043219.db2.gz IIYHCLOPLQBHEE-ZADCQDASSA-N 0 1 207.321 2.345 20 0 BEADMN C[C@H](NCc1cnc(C2CC2)o1)[C@H]1CCCO1 ZINC000453343215 388051779 /nfs/dbraw/zinc/05/17/79/388051779.db2.gz GLAHKRVQPSLISN-JOYOIKCWSA-N 0 1 236.315 2.209 20 0 BEADMN CN(Cc1cc[nH]n1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447065060 388051766 /nfs/dbraw/zinc/05/17/66/388051766.db2.gz DUHPHHUMMMCJPO-UHFFFAOYSA-N 0 1 247.346 2.062 20 0 BEADMN CCC(CC)[C@@H](O)CNCc1cscn1 ZINC000163962671 388114212 /nfs/dbraw/zinc/11/42/12/388114212.db2.gz FCMLLNNAZTXDHO-NSHDSACASA-N 0 1 228.361 2.030 20 0 BEADMN CCc1nc(C[S@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000447243913 388057941 /nfs/dbraw/zinc/05/79/41/388057941.db2.gz BVMROSDAPHJROY-INIZCTEOSA-N 0 1 243.376 2.050 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cnc(C2CC2)o1 ZINC000453358823 388058608 /nfs/dbraw/zinc/05/86/08/388058608.db2.gz OTQHLGMWTYBZAK-DTWKUNHWSA-N 0 1 224.304 2.065 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCCC(C)(C)CC1 ZINC000083680714 388059136 /nfs/dbraw/zinc/05/91/36/388059136.db2.gz XJSIASPDKZIOFW-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1nccn1C ZINC000453392753 388068907 /nfs/dbraw/zinc/06/89/07/388068907.db2.gz FDIDMFRMLCBUCB-IJLUTSLNSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](F)CN(C)[C@@H](CO)c1ccccc1 ZINC000440698582 388068942 /nfs/dbraw/zinc/06/89/42/388068942.db2.gz ZLWWVGDDOCMNTJ-STQMWFEESA-N 0 1 225.307 2.400 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453397984 388070303 /nfs/dbraw/zinc/07/03/03/388070303.db2.gz ISPOSAFGFYSNBP-FDYHWXHSSA-N 0 1 249.358 2.436 20 0 BEADMN CC[C@@H](F)CN1CCC(c2cc[nH]n2)CC1 ZINC000440701673 388071582 /nfs/dbraw/zinc/07/15/82/388071582.db2.gz JJIWCOBYEPJOBR-LLVKDONJSA-N 0 1 225.311 2.337 20 0 BEADMN CCc1ccc([C@@H](C)N[C@@H](CC)C(=O)NC)o1 ZINC000453422827 388080606 /nfs/dbraw/zinc/08/06/06/388080606.db2.gz XJQQLFMDQSENNU-KOLCDFICSA-N 0 1 238.331 2.017 20 0 BEADMN CC(C)n1ccc(CN[C@@H](C)[C@@H]2CCCO2)n1 ZINC000085161055 388084296 /nfs/dbraw/zinc/08/42/96/388084296.db2.gz BJKNRLAPBIXCIR-AAEUAGOBSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NCc1cc[nH]n1 ZINC000453605570 388091441 /nfs/dbraw/zinc/09/14/41/388091441.db2.gz CXWQIAOQADIFEU-VXGBXAGGSA-N 0 1 207.321 2.324 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cc[nH]n2)C12CCCC2 ZINC000085680482 388094569 /nfs/dbraw/zinc/09/45/69/388094569.db2.gz KKCKLJCBISAYFG-OLZOCXBDSA-N 0 1 249.358 2.237 20 0 BEADMN CCCn1ncnc1CN1CCCC[C@H](C)C1 ZINC000447881769 388099926 /nfs/dbraw/zinc/09/99/26/388099926.db2.gz MMUBSXFHHIKZNJ-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](C)[C@H]1CC ZINC000447882644 388100239 /nfs/dbraw/zinc/10/02/39/388100239.db2.gz PXIMSNHDIDBQAV-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1ncnc1CN1[C@H](C)CC[C@@H]1CC ZINC000447888080 388100590 /nfs/dbraw/zinc/10/05/90/388100590.db2.gz BPBFYTGYDBNWFK-NEPJUHHUSA-N 0 1 236.363 2.451 20 0 BEADMN Cc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)n[nH]1 ZINC000056935820 388101385 /nfs/dbraw/zinc/10/13/85/388101385.db2.gz RAAXEOCSFRBFJS-SECBINFHSA-N 0 1 233.315 2.121 20 0 BEADMN CC[C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC000086472651 388103157 /nfs/dbraw/zinc/10/31/57/388103157.db2.gz JNDNFPDPAKIWET-VIFPVBQESA-N 0 1 231.299 2.339 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000086726922 388107517 /nfs/dbraw/zinc/10/75/17/388107517.db2.gz UVIYMALDECDEDS-NSHDSACASA-N 0 1 241.237 2.014 20 0 BEADMN FC(F)n1ccc(CN[C@H]2CCCSC2)n1 ZINC000336661517 388107564 /nfs/dbraw/zinc/10/75/64/388107564.db2.gz BXQFCDXFLUNMQJ-VIFPVBQESA-N 0 1 247.314 2.263 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1C ZINC000086776006 388108817 /nfs/dbraw/zinc/10/88/17/388108817.db2.gz CAQRGDKFVHZTHG-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CC1(C)CCC[C@H]1NCc1csnn1 ZINC000086873307 388109322 /nfs/dbraw/zinc/10/93/22/388109322.db2.gz LUAZLJSMVHWDHT-SECBINFHSA-N 0 1 211.334 2.206 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H]1OC ZINC000453317804 388045583 /nfs/dbraw/zinc/04/55/83/388045583.db2.gz AUDRBSWGACOYJF-QJPTWQEYSA-N 0 1 237.347 2.121 20 0 BEADMN Fc1cc(F)c(CNC[C@H]2CCCO2)cc1F ZINC000083373482 388049081 /nfs/dbraw/zinc/04/90/81/388049081.db2.gz OZDHFWHQOXAILB-SECBINFHSA-N 0 1 245.244 2.373 20 0 BEADMN CC[C@H](F)CN1CCC(c2cnn(C)c2)CC1 ZINC000440517092 388049147 /nfs/dbraw/zinc/04/91/47/388049147.db2.gz UVFROCBMHZEQTI-ZDUSSCGKSA-N 0 1 239.338 2.348 20 0 BEADMN CCc1nnc([C@@H](C)N[C@@H](C)Cc2ccoc2)[nH]1 ZINC000449205005 388157110 /nfs/dbraw/zinc/15/71/10/388157110.db2.gz NKSMUCZIWZUFNZ-VHSXEESVSA-N 0 1 248.330 2.242 20 0 BEADMN F[C@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000648720666 388158050 /nfs/dbraw/zinc/15/80/50/388158050.db2.gz LQBYQDWQBXTHKT-VIFPVBQESA-N 0 1 219.263 2.107 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000449240894 388160916 /nfs/dbraw/zinc/16/09/16/388160916.db2.gz PRTCAOQCYVIFFG-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN COc1nccnc1CN1C[C@H](C)CC(C)(C)C1 ZINC000449240894 388160917 /nfs/dbraw/zinc/16/09/17/388160917.db2.gz PRTCAOQCYVIFFG-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN COc1nccnc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000449241629 388161260 /nfs/dbraw/zinc/16/12/60/388161260.db2.gz UBZLNHSBFIKVAW-GFCCVEGCSA-N 0 1 247.342 2.273 20 0 BEADMN COc1nccnc1CN(C)C[C@@H]1CC=CCC1 ZINC000449241629 388161263 /nfs/dbraw/zinc/16/12/63/388161263.db2.gz UBZLNHSBFIKVAW-GFCCVEGCSA-N 0 1 247.342 2.273 20 0 BEADMN COc1nccnc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000449281265 388166957 /nfs/dbraw/zinc/16/69/57/388166957.db2.gz CVTFFDGPUBLUHQ-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000646260688 388172050 /nfs/dbraw/zinc/17/20/50/388172050.db2.gz ZRTHBNPCXUZQTL-MNOVXSKESA-N 0 1 247.342 2.121 20 0 BEADMN C[C@H](CF)NCc1cc2cccnc2o1 ZINC000449334486 388175382 /nfs/dbraw/zinc/17/53/82/388175382.db2.gz XONJHXSOGWYWLW-MRVPVSSYSA-N 0 1 208.236 2.275 20 0 BEADMN CC[C@H]1C[C@@H](C[N@@H+](C(C)C)C2COC2)CCO1 ZINC000449349412 388178484 /nfs/dbraw/zinc/17/84/84/388178484.db2.gz GOOCEWGJTCZSLP-JSGCOSHPSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[C@H](C[N@@H+](C(C)C)C2COC2)CCO1 ZINC000449349414 388179017 /nfs/dbraw/zinc/17/90/17/388179017.db2.gz GOOCEWGJTCZSLP-TZMCWYRMSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1C[C@H]1CNc1cnccc1-n1cccn1 ZINC000488451032 388180511 /nfs/dbraw/zinc/18/05/11/388180511.db2.gz RMIBDGDAPAIKHT-MNOVXSKESA-N 0 1 228.299 2.335 20 0 BEADMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)COC)[nH]1 ZINC000488470996 388181191 /nfs/dbraw/zinc/18/11/91/388181191.db2.gz CEDFJDHKKNQUDW-AEJSXWLSSA-N 0 1 240.351 2.004 20 0 BEADMN COc1ccccc1C1(NCc2cnc[nH]2)CC1 ZINC000646001505 388122819 /nfs/dbraw/zinc/12/28/19/388122819.db2.gz OUEOXUQWEPFFGW-UHFFFAOYSA-N 0 1 243.310 2.197 20 0 BEADMN COc1nccnc1C[N@H+]1CCCC[C@H]1C(C)C ZINC000449037273 388134085 /nfs/dbraw/zinc/13/40/85/388134085.db2.gz YFOSQXXBBZFRTR-ZDUSSCGKSA-N 0 1 249.358 2.496 20 0 BEADMN CCn1nnc(C)c1CNCc1ccc(C)cc1 ZINC000449063219 388137403 /nfs/dbraw/zinc/13/74/03/388137403.db2.gz LZDXABYZIMFBMH-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN C[C@H]1CN(CCOCC2CC2)CC2(CCC2)O1 ZINC000646116211 388145172 /nfs/dbraw/zinc/14/51/72/388145172.db2.gz QIBLFOZHRWWFKX-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN O[C@@H]([C@@H]1CCN(Cc2ccco2)C1)C(F)(F)F ZINC000449668972 388250920 /nfs/dbraw/zinc/25/09/20/388250920.db2.gz HKWQMEWRZYELAZ-SCZZXKLOSA-N 0 1 249.232 2.025 20 0 BEADMN O[C@@H]([C@H]1CCN(Cc2ccco2)C1)C(F)(F)F ZINC000449668974 388251359 /nfs/dbraw/zinc/25/13/59/388251359.db2.gz HKWQMEWRZYELAZ-WPRPVWTQSA-N 0 1 249.232 2.025 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000456369687 388196727 /nfs/dbraw/zinc/19/67/27/388196727.db2.gz FUJJDGSJBNPWCG-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Fc1ccccc1CNCc1n[nH]c(C2CC2)n1 ZINC000449405224 388196743 /nfs/dbraw/zinc/19/67/43/388196743.db2.gz JPWYSBZMPGTTHF-UHFFFAOYSA-N 0 1 246.289 2.111 20 0 BEADMN CCN(Cc1cc(C)c(O)c(C)c1)C1COC1 ZINC000449430381 388203954 /nfs/dbraw/zinc/20/39/54/388203954.db2.gz ZGGKOGZHHGXYRH-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C2CC2)cn1 ZINC000449430059 388204248 /nfs/dbraw/zinc/20/42/48/388204248.db2.gz VWKDYLUSFIDAQT-GFCCVEGCSA-N 0 1 218.300 2.075 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN([C@H](C)CC)CC1 ZINC000456528536 388206865 /nfs/dbraw/zinc/20/68/65/388206865.db2.gz KZXMGRJLKUFBEZ-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489362939 388209077 /nfs/dbraw/zinc/20/90/77/388209077.db2.gz ZCIBPNYRZUFASC-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489389350 388210394 /nfs/dbraw/zinc/21/03/94/388210394.db2.gz JQPJHFJGABJCFG-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CC1CC(NCc2ncc(C(F)(F)F)cn2)C1 ZINC000449469856 388213099 /nfs/dbraw/zinc/21/30/99/388213099.db2.gz IULCQOWNPGCVFY-UHFFFAOYSA-N 0 1 245.248 2.384 20 0 BEADMN CO[C@](C)(CNCc1cc[nH]n1)c1ccccc1 ZINC000449485163 388216323 /nfs/dbraw/zinc/21/63/23/388216323.db2.gz PIKCUGRHRSNJFP-CQSZACIVSA-N 0 1 245.326 2.061 20 0 BEADMN COCCN(CCCF)Cc1scnc1C ZINC000489473788 388216914 /nfs/dbraw/zinc/21/69/14/388216914.db2.gz JONDDDKBDLZWST-UHFFFAOYSA-N 0 1 246.351 2.260 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)cn2)C[C@@H]1C ZINC000449494454 388219128 /nfs/dbraw/zinc/21/91/28/388219128.db2.gz NCCLOKYKNGAHLF-FZMZJTMJSA-N 0 1 249.358 2.032 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)nc2)C[C@H]1C ZINC000449501342 388220247 /nfs/dbraw/zinc/22/02/47/388220247.db2.gz VTYMQIGNVOSTMM-BXUZGUMPSA-N 0 1 249.358 2.032 20 0 BEADMN CCO[C@H]1CCN(Cc2ccnc(C)n2)C[C@@H]1C ZINC000449510601 388221244 /nfs/dbraw/zinc/22/12/44/388221244.db2.gz XKZBNQSAKQETBV-FZMZJTMJSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@@H](NCc1csc(C2CC2)n1)[C@H](C)O ZINC000449533073 388226425 /nfs/dbraw/zinc/22/64/25/388226425.db2.gz BAOIBKFFYZCGSN-GZMMTYOYSA-N 0 1 240.372 2.270 20 0 BEADMN CCCc1csc(CN[C@@H](CC)[C@@H](C)O)n1 ZINC000449543268 388228182 /nfs/dbraw/zinc/22/81/82/388228182.db2.gz ODFJQTPWPHHKSM-KOLCDFICSA-N 0 1 242.388 2.345 20 0 BEADMN c1nc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)co1 ZINC000449543449 388228301 /nfs/dbraw/zinc/22/83/01/388228301.db2.gz SUMAIIIWBWIYCM-QWHCGFSZSA-N 0 1 218.300 2.295 20 0 BEADMN CCCc1csc(CN[C@H](CC)[C@H](C)O)n1 ZINC000449543267 388228336 /nfs/dbraw/zinc/22/83/36/388228336.db2.gz ODFJQTPWPHHKSM-GXSJLCMTSA-N 0 1 242.388 2.345 20 0 BEADMN CCOC1CC(N[C@@H](C)c2nccn2CC)C1 ZINC000449561028 388232554 /nfs/dbraw/zinc/23/25/54/388232554.db2.gz AIXSUELMAMERAT-UNXYVOJBSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)OC[C@@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449569664 388236429 /nfs/dbraw/zinc/23/64/29/388236429.db2.gz HYUOSVGOCBCCKU-UTUOFQBUSA-N 0 1 237.347 2.292 20 0 BEADMN CSCCN[C@H](C)c1ncc(C)s1 ZINC000164575103 388240786 /nfs/dbraw/zinc/24/07/86/388240786.db2.gz XJMIXMHNGNXEBK-MRVPVSSYSA-N 0 1 216.375 2.465 20 0 BEADMN CSCCN[C@@H](C)c1ncc(C)s1 ZINC000164575235 388240839 /nfs/dbraw/zinc/24/08/39/388240839.db2.gz XJMIXMHNGNXEBK-QMMMGPOBSA-N 0 1 216.375 2.465 20 0 BEADMN CCc1ncc(CN[C@@H](C)COC(C)C)o1 ZINC000449610567 388242433 /nfs/dbraw/zinc/24/24/33/388242433.db2.gz RIOZAHDBMRQROY-JTQLQIEISA-N 0 1 226.320 2.140 20 0 BEADMN Cc1cc(CNCC2(CCO)CCCC2)no1 ZINC000459424164 388243334 /nfs/dbraw/zinc/24/33/34/388243334.db2.gz LBVLBDCRKAJYNC-UHFFFAOYSA-N 0 1 238.331 2.015 20 0 BEADMN Cc1cc(CNCC2(C3CC3)CC2)no1 ZINC000459448128 388244280 /nfs/dbraw/zinc/24/42/80/388244280.db2.gz LBBPMQLQDQIEMR-UHFFFAOYSA-N 0 1 206.289 2.263 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N[C@@H](C)C1 ZINC000451637481 388286702 /nfs/dbraw/zinc/28/67/02/388286702.db2.gz BKAYCWSGXCTLLA-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000451664606 388288674 /nfs/dbraw/zinc/28/86/74/388288674.db2.gz ZNKPBCTZUGBWLG-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN OCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451833472 388299467 /nfs/dbraw/zinc/29/94/67/388299467.db2.gz HXMGCDFEKMZNBO-GFCCVEGCSA-N 0 1 221.300 2.189 20 0 BEADMN COCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451835688 388299966 /nfs/dbraw/zinc/29/99/66/388299966.db2.gz KFKZVRBPIBPZPC-LBPRGKRZSA-N 0 1 221.300 2.453 20 0 BEADMN CC=CC=CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000492060287 388333305 /nfs/dbraw/zinc/33/33/05/388333305.db2.gz WCBOHTOTCNIJKB-IAROGAJJSA-N 0 1 245.326 2.248 20 0 BEADMN CCc1ccc(CNC2(CC(=O)OC)CC2)o1 ZINC000518781501 256608793 /nfs/dbraw/zinc/60/87/93/256608793.db2.gz KBTGZVFJMMATIZ-UHFFFAOYSA-N 0 1 237.299 2.027 20 0 BEADMN C/C=C(/C=C\C(=O)NCCN1CC=CCC1)CC ZINC000491968929 388330020 /nfs/dbraw/zinc/33/00/20/388330020.db2.gz YYPDAMDKSBAZKI-COGSIAPQSA-N 0 1 248.370 2.277 20 0 BEADMN CCCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000462121112 388264110 /nfs/dbraw/zinc/26/41/10/388264110.db2.gz NKVBWHBPEDIKGC-UHFFFAOYSA-N 0 1 236.363 2.300 20 0 BEADMN C[C@@H]1CC[C@@H](CN(C)Cc2ccccn2)O1 ZINC000451364233 388264682 /nfs/dbraw/zinc/26/46/82/388264682.db2.gz CVAYJXXQUUQBPE-YPMHNXCESA-N 0 1 220.316 2.081 20 0 BEADMN CCCCOCCN(C)Cc1ccccn1 ZINC000451369670 388265594 /nfs/dbraw/zinc/26/55/94/388265594.db2.gz BNVIICNAKGZHLA-UHFFFAOYSA-N 0 1 222.332 2.330 20 0 BEADMN C[C@@]12CN(Cc3ncccn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366234 388265935 /nfs/dbraw/zinc/26/59/35/388265935.db2.gz IFOKJRLCZPHKGZ-COMQUAJESA-N 0 1 241.338 2.121 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CCC(CF)CC1 ZINC000451389499 388268235 /nfs/dbraw/zinc/26/82/35/388268235.db2.gz ULECFDWJWYZPQO-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCC(CF)CC1 ZINC000451387761 388268471 /nfs/dbraw/zinc/26/84/71/388268471.db2.gz FXWPUFADIKPBNX-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H](F)C(C)C)[nH]1 ZINC001645476865 1172672660 /nfs/dbraw/zinc/67/26/60/1172672660.db2.gz XNSYQKOPRQTMPD-SNVBAGLBSA-N 0 1 241.310 2.143 20 0 BEADMN CC(C)CNc1cc(C(C)C)nc(N(C)C)n1 ZINC000462754754 388270850 /nfs/dbraw/zinc/27/08/50/388270850.db2.gz RFRLXEFGNFWRPI-UHFFFAOYSA-N 0 1 236.363 2.156 20 0 BEADMN CCc1nnc(CN[C@H]2CCC23CCCC3)n1C ZINC000451453456 388274683 /nfs/dbraw/zinc/27/46/83/388274683.db2.gz GNBCAFHYNLXAEB-NSHDSACASA-N 0 1 248.374 2.190 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C)ncn2)C[C@H]1C ZINC000451526245 388279423 /nfs/dbraw/zinc/27/94/23/388279423.db2.gz GKXGZLLVQQXXDR-RISCZKNCSA-N 0 1 249.358 2.032 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)[C@H](C)CN1C ZINC000492318810 388341439 /nfs/dbraw/zinc/34/14/39/388341439.db2.gz JQTKLSIEEXBAPI-IDDPWSFUSA-N 0 1 238.375 2.140 20 0 BEADMN C[C@H](CN[C@@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275440741 388345165 /nfs/dbraw/zinc/34/51/65/388345165.db2.gz ADGLJHLRWWDVAV-NEPJUHHUSA-N 0 1 244.342 2.269 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cscn1 ZINC000276156899 388347652 /nfs/dbraw/zinc/34/76/52/388347652.db2.gz QBACFZSHFHMWFA-CIUDSAMLSA-N 0 1 214.334 2.217 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nc(C3CC3)nn2C)C[C@H]1C ZINC000516567500 388349354 /nfs/dbraw/zinc/34/93/54/388349354.db2.gz IVFAJVAPBFKQNT-GMTAPVOTSA-N 0 1 248.374 2.169 20 0 BEADMN CC(C)n1cc(CNC2CC(F)(F)C2)cn1 ZINC000277649906 388354330 /nfs/dbraw/zinc/35/43/30/388354330.db2.gz MUIFHUYXCHVYBN-UHFFFAOYSA-N 0 1 229.274 2.351 20 0 BEADMN Cc1noc(CN[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000226984189 388356256 /nfs/dbraw/zinc/35/62/56/388356256.db2.gz HSFATVZQFUSURV-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN CC[C@H](O)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000293699141 388359569 /nfs/dbraw/zinc/35/95/69/388359569.db2.gz WZONQOJKXZSUMI-JTQLQIEISA-N 0 1 243.734 2.296 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000648791597 388359600 /nfs/dbraw/zinc/35/96/00/388359600.db2.gz FNSLPOVWGNGOPR-QWHCGFSZSA-N 0 1 247.342 2.242 20 0 BEADMN COC[C@@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000234893008 388362143 /nfs/dbraw/zinc/36/21/43/388362143.db2.gz BPWUEDABRBNFND-IONNQARKSA-N 0 1 249.763 2.059 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)cc2)CC(C)(C)O1 ZINC000163423760 388362484 /nfs/dbraw/zinc/36/24/84/388362484.db2.gz QLGFYJABEAXIDI-GFCCVEGCSA-N 0 1 249.354 2.178 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@H]1C=CCCCCC1 ZINC000308776610 388363966 /nfs/dbraw/zinc/36/39/66/388363966.db2.gz GKKZDERCSKHIPO-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN COCCCN(C)Cc1ccc(OC)cc1F ZINC000573007578 388405360 /nfs/dbraw/zinc/40/53/60/388405360.db2.gz DLODAYKPJBPDJP-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN COc1ccc(F)c(CN[C@H]2CO[C@@H](C)C2)c1 ZINC000572720948 388369650 /nfs/dbraw/zinc/36/96/50/388369650.db2.gz HWFFXVJOEDNWEZ-GXSJLCMTSA-N 0 1 239.290 2.101 20 0 BEADMN COc1ccc(F)c(CN[C@H]2CO[C@H](C)C2)c1 ZINC000572720950 388369890 /nfs/dbraw/zinc/36/98/90/388369890.db2.gz HWFFXVJOEDNWEZ-MWLCHTKSSA-N 0 1 239.290 2.101 20 0 BEADMN Cc1ccoc1C[N@@H+](C)CCC(C)(C)O ZINC000292396705 388380169 /nfs/dbraw/zinc/38/01/69/388380169.db2.gz STEKSARAQPHUCW-UHFFFAOYSA-N 0 1 211.305 2.181 20 0 BEADMN C[C@H]1Cc2ccccc2N1C(=O)CN1CCCC1 ZINC000010495334 388380777 /nfs/dbraw/zinc/38/07/77/388380777.db2.gz URFQCLYNCBYQAK-LBPRGKRZSA-N 0 1 244.338 2.060 20 0 BEADMN C[N@@H+](Cc1cc(C(N)=O)cs1)C(C)(C)C ZINC000572843101 388381022 /nfs/dbraw/zinc/38/10/22/388381022.db2.gz MLFHZGGZFLSJHX-UHFFFAOYSA-N 0 1 226.345 2.077 20 0 BEADMN CCC[C@H](C(=O)OCC)N(CC)CC ZINC000097992718 256663525 /nfs/dbraw/zinc/66/35/25/256663525.db2.gz XATGCCGXOJBROJ-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CC[C@](C)(O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293438719 388389782 /nfs/dbraw/zinc/38/97/82/388389782.db2.gz BSOPKTLFYXGLDR-LBPRGKRZSA-N 0 1 243.734 2.296 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cscn1)C1CC1 ZINC000293715134 388390324 /nfs/dbraw/zinc/39/03/24/388390324.db2.gz NAVUARQYLWQCNR-KWQFWETISA-N 0 1 226.345 2.219 20 0 BEADMN COCc1cccc(CNCc2conc2C)c1 ZINC000294328896 388399340 /nfs/dbraw/zinc/39/93/40/388399340.db2.gz YLQLREABDBTXER-UHFFFAOYSA-N 0 1 246.310 2.419 20 0 BEADMN Cc1nnsc1CN(C)[C@@H](C)C1CC1 ZINC000572964321 388400283 /nfs/dbraw/zinc/40/02/83/388400283.db2.gz GLOKFHAFWNYZKV-QMMMGPOBSA-N 0 1 211.334 2.077 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCN(C)C[C@H]1C)CC ZINC000492133855 388335968 /nfs/dbraw/zinc/33/59/68/388335968.db2.gz JCWLYYBQLKUHMU-FXKWLGQGSA-N 0 1 236.359 2.061 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cnn(C)c1 ZINC000393928984 388446910 /nfs/dbraw/zinc/44/69/10/388446910.db2.gz HWSAPCNKMDPYAN-MVWJERBFSA-N 0 1 225.311 2.351 20 0 BEADMN COC[C@H](C)NCc1ncc(C(C)C)s1 ZINC000134839333 388480663 /nfs/dbraw/zinc/48/06/63/388480663.db2.gz ULFHWHGISVCJGC-VIFPVBQESA-N 0 1 228.361 2.391 20 0 BEADMN CN(Cc1cc(O)cc(F)c1)[C@H]1CCCOC1 ZINC000335329409 388449540 /nfs/dbraw/zinc/44/95/40/388449540.db2.gz SFKYTVJLCAFJRQ-LBPRGKRZSA-N 0 1 239.290 2.142 20 0 BEADMN C[C@@H](C(=O)N1CCCC[C@H]1C1CCC1)N(C)C ZINC000649197037 388455510 /nfs/dbraw/zinc/45/55/10/388455510.db2.gz CALBCUJAJHMJBC-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1cc(F)cc(F)c1 ZINC000336093553 388456617 /nfs/dbraw/zinc/45/66/17/388456617.db2.gz JSYDBAXAWNFRSC-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN CCC1(CC)CN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000336654629 388458849 /nfs/dbraw/zinc/45/88/49/388458849.db2.gz DDVQLDCSRWSYQJ-SECBINFHSA-N 0 1 239.281 2.422 20 0 BEADMN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1ncn(C)n1 ZINC000336626446 388458997 /nfs/dbraw/zinc/45/89/97/388458997.db2.gz AYLTVFOXQYBPJB-MNOVXSKESA-N 0 1 236.363 2.435 20 0 BEADMN CCN(CC)CC(=O)Nc1c(F)cccc1F ZINC000060476616 388460071 /nfs/dbraw/zinc/46/00/71/388460071.db2.gz DRBHHOOIFKPQOZ-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN COC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000193891128 388469381 /nfs/dbraw/zinc/46/93/81/388469381.db2.gz OJWKZXDRZNZQIV-SECBINFHSA-N 0 1 229.270 2.432 20 0 BEADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1nccn1C ZINC000336726940 388469677 /nfs/dbraw/zinc/46/96/77/388469677.db2.gz BVWIEDMDLWXGJO-JGVFFNPUSA-N 0 1 235.253 2.269 20 0 BEADMN CN(CC(=O)Nc1ccccc1F)CC1CC1 ZINC000193942839 388471978 /nfs/dbraw/zinc/47/19/78/388471978.db2.gz AGUBZLVXEVNQMK-UHFFFAOYSA-N 0 1 236.290 2.106 20 0 BEADMN Cc1ccc2nc(CSc3c[nH]nn3)cn2c1 ZINC000177369097 388481988 /nfs/dbraw/zinc/48/19/88/388481988.db2.gz JELJKRFKZMRPNF-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cn1 ZINC000405554999 388478437 /nfs/dbraw/zinc/47/84/37/388478437.db2.gz PWJXFBHLRSPWSR-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H](O)C2CCC2)cs1 ZINC000316271440 388407710 /nfs/dbraw/zinc/40/77/10/388407710.db2.gz GTSSZVVWNIHURL-QPUJVOFHSA-N 0 1 240.372 2.263 20 0 BEADMN FC1(F)CCCC[C@H]1CNCc1cc[nH]n1 ZINC000295120672 388408624 /nfs/dbraw/zinc/40/86/24/388408624.db2.gz NDEJWNMMRZTQEO-VIFPVBQESA-N 0 1 229.274 2.325 20 0 BEADMN CO[C@](C)(CNCc1ncc(C)s1)C1CC1 ZINC000295985215 388416152 /nfs/dbraw/zinc/41/61/52/388416152.db2.gz JTPXVEFQEIFEMJ-GFCCVEGCSA-N 0 1 240.372 2.356 20 0 BEADMN COc1cc(CN[C@@H](C)CF)cc(OC)c1 ZINC000288406771 388419353 /nfs/dbraw/zinc/41/93/53/388419353.db2.gz INMCDBRLNXEGEF-VIFPVBQESA-N 0 1 227.279 2.151 20 0 BEADMN COCc1ccc(CN[C@@H](C)CF)cc1 ZINC000288411080 388419421 /nfs/dbraw/zinc/41/94/21/388419421.db2.gz IWJQCKJGRNGERM-JTQLQIEISA-N 0 1 211.280 2.281 20 0 BEADMN Cc1cc(CNCCCc2cnccc2C)no1 ZINC000573139990 388424007 /nfs/dbraw/zinc/42/40/07/388424007.db2.gz VOPTYEWJVLKYES-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN Cc1cc(CN2CC[C@H](C)[C@@H](C)C2)no1 ZINC000245854080 388433876 /nfs/dbraw/zinc/43/38/76/388433876.db2.gz DHILOEYSXLSMJE-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000245949951 388434788 /nfs/dbraw/zinc/43/47/88/388434788.db2.gz SJMDYILTVXCMTN-ZJUUUORDSA-N 0 1 208.305 2.461 20 0 BEADMN CC(C)CSCCC[N@@H+](C)CCC(=O)[O-] ZINC000573267772 388436814 /nfs/dbraw/zinc/43/68/14/388436814.db2.gz RQGVLKYDCQKKDI-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CO[C@H]1C[C@H](NCc2cc(C)on2)C12CCC2 ZINC000308400380 388437739 /nfs/dbraw/zinc/43/77/39/388437739.db2.gz WBYKJMFLVPFKSL-RYUDHWBXSA-N 0 1 236.315 2.030 20 0 BEADMN CCCCOCCNCc1oc(C)nc1C ZINC000381835628 388438080 /nfs/dbraw/zinc/43/80/80/388438080.db2.gz AJEVTPUUVLLAKW-UHFFFAOYSA-N 0 1 226.320 2.198 20 0 BEADMN C/C(Cl)=C/C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000528523920 388542762 /nfs/dbraw/zinc/54/27/62/388542762.db2.gz JPGNABQIWVDZHV-VKVBJWDFSA-N 0 1 229.751 2.222 20 0 BEADMN CCC[C@@H](NCc1ncn(C)n1)[C@H]1CC1(C)C ZINC000397603121 388483348 /nfs/dbraw/zinc/48/33/48/388483348.db2.gz GOAJFGMCPSUJJE-GHMZBOCLSA-N 0 1 236.363 2.120 20 0 BEADMN COC[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000339553399 388485552 /nfs/dbraw/zinc/48/55/52/388485552.db2.gz JCCFUZLTATZSIH-SECBINFHSA-N 0 1 206.289 2.017 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CCC1CC1 ZINC000135277997 388489532 /nfs/dbraw/zinc/48/95/32/388489532.db2.gz KFLCTVAPXYNMHA-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1nncn1C ZINC000135339826 388492869 /nfs/dbraw/zinc/49/28/69/388492869.db2.gz VYMFCIXSISILOE-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN Cn1nncc1CN[C@H](c1cccs1)C1CC1 ZINC000343072626 388498817 /nfs/dbraw/zinc/49/88/17/388498817.db2.gz QLEPSPFQJMQGKD-LBPRGKRZSA-N 0 1 248.355 2.118 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](C2CC2)C1 ZINC000344035728 388504478 /nfs/dbraw/zinc/50/44/78/388504478.db2.gz OIAFAHLACODTHR-ZYHUDNBSSA-N 0 1 239.359 2.449 20 0 BEADMN CC1=C[C@@H](C)C[C@@H](CN2CCn3nncc3C2)C1 ZINC000517390699 388549187 /nfs/dbraw/zinc/54/91/87/388549187.db2.gz JKKFBHIZEKJWOE-DGCLKSJQSA-N 0 1 246.358 2.086 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2CC(C)(C)C2)c1C ZINC000548056483 388507396 /nfs/dbraw/zinc/50/73/96/388507396.db2.gz ZDYXBRFZIHQUIE-UHFFFAOYSA-N 0 1 235.331 2.193 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCO[C@H]2C2CC2)c2nccn21 ZINC000345352491 388512147 /nfs/dbraw/zinc/51/21/47/388512147.db2.gz JNSNVKNAUVUZOW-XEZLXBQYSA-N 0 1 247.342 2.046 20 0 BEADMN CO[C@](C)(CN[C@@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000345362975 388513799 /nfs/dbraw/zinc/51/37/99/388513799.db2.gz VXLBXGORSPXALR-MPKXVKKWSA-N 0 1 249.358 2.294 20 0 BEADMN CC[C@@H](CO)N(C)c1ccnc(C)c1Cl ZINC000345836830 388516591 /nfs/dbraw/zinc/51/65/91/388516591.db2.gz OJQBNUFWJJIEFZ-VIFPVBQESA-N 0 1 228.723 2.251 20 0 BEADMN Cc1cc(OC[C@@H]2CCOC2)cc(C)n1 ZINC000548142134 388517235 /nfs/dbraw/zinc/51/72/35/388517235.db2.gz NXZZXYCAJORSGS-LLVKDONJSA-N 0 1 207.273 2.114 20 0 BEADMN CN(Cc1cc[nH]n1)CC1CC(C)(C)C1 ZINC000528383504 388517619 /nfs/dbraw/zinc/51/76/19/388517619.db2.gz XJGAYCFKWQRDKW-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC1CC(C)(C)C1 ZINC000528388561 388519597 /nfs/dbraw/zinc/51/95/97/388519597.db2.gz NZGQHCIGVACNKM-UVWXRNBGSA-N 0 1 243.416 2.264 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CC1CC(C)(C)C1 ZINC000528388555 388519945 /nfs/dbraw/zinc/51/99/45/388519945.db2.gz NZGQHCIGVACNKM-OHUAYANFSA-N 0 1 243.416 2.264 20 0 BEADMN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)nc1 ZINC000348192757 388526977 /nfs/dbraw/zinc/52/69/77/388526977.db2.gz YMKQTALOLQPYLH-UWVGGRQHSA-N 0 1 212.243 2.133 20 0 BEADMN CC1(C)CC(CN2CC[S@](=O)CC2(C)C)C1 ZINC000528465463 388529921 /nfs/dbraw/zinc/52/99/21/388529921.db2.gz KQBBVZIASHQBQD-INIZCTEOSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CN(CC2CC(C)(C)C2)C[C@@H](C)S1=O ZINC000528473835 388530918 /nfs/dbraw/zinc/53/09/18/388530918.db2.gz INBONIJYPVVIRW-GHMZBOCLSA-N 0 1 243.416 2.264 20 0 BEADMN OCC[C@H]1CCCN1Cc1ncccc1Cl ZINC000528467148 388531033 /nfs/dbraw/zinc/53/10/33/388531033.db2.gz XCHFDHFRLMZGEX-SNVBAGLBSA-N 0 1 240.734 2.082 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1ncccc1Cl ZINC000528479221 388532888 /nfs/dbraw/zinc/53/28/88/388532888.db2.gz WDEPXJBXENLPLN-NSHDSACASA-N 0 1 242.750 2.232 20 0 BEADMN COC(=O)c1ccccc1CN1[C@H](C)C[C@H]1C ZINC000548426280 388537037 /nfs/dbraw/zinc/53/70/37/388537037.db2.gz JVYDBLGYCOUVNT-GHMZBOCLSA-N 0 1 233.311 2.456 20 0 BEADMN CC/C=C/CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000185428430 388587391 /nfs/dbraw/zinc/58/73/91/388587391.db2.gz VDQOMTFWKHRFEG-GULGNGMXSA-N 0 1 217.378 2.042 20 0 BEADMN O=C(Nc1ccccc1O)c1cn[nH]c1C1CC1 ZINC000184299202 256844674 /nfs/dbraw/zinc/84/46/74/256844674.db2.gz JQQDWHQAXWJGJT-UHFFFAOYSA-N 0 1 243.266 2.245 20 0 BEADMN CC/C=C/CCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000184553497 256846792 /nfs/dbraw/zinc/84/67/92/256846792.db2.gz CBYKVHNHOKVZQH-IDDPWSFUSA-N 0 1 247.404 2.096 20 0 BEADMN C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)C(=O)[O-] ZINC000530162253 388617923 /nfs/dbraw/zinc/61/79/23/388617923.db2.gz VENKFXDVHSTSJT-SECBINFHSA-N 0 1 213.321 2.075 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000530162422 388618264 /nfs/dbraw/zinc/61/82/64/388618264.db2.gz GSNPOEQQSMMBDL-NSHDSACASA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)C(=O)[O-] ZINC000530162255 388618278 /nfs/dbraw/zinc/61/82/78/388618278.db2.gz VENKFXDVHSTSJT-VIFPVBQESA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)NC1CCCCCC1 ZINC000548752711 388556503 /nfs/dbraw/zinc/55/65/03/388556503.db2.gz BTFOVJNRUWFLRT-RYUDHWBXSA-N 0 1 238.375 2.308 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1[C@H](C)C[C@H]1C ZINC000548754362 388557005 /nfs/dbraw/zinc/55/70/05/388557005.db2.gz ZWNOHQKKWXFCNN-UTUOFQBUSA-N 0 1 226.364 2.164 20 0 BEADMN CC/C=C\CCN1CCO[C@@H](COCC)C1 ZINC000528723426 388561638 /nfs/dbraw/zinc/56/16/38/388561638.db2.gz JYSXUKHMSALKDH-CFHLNLSMSA-N 0 1 227.348 2.080 20 0 BEADMN CC[C@](C)(O)CN[C@@H](C)c1ncccc1F ZINC000528827557 388576467 /nfs/dbraw/zinc/57/64/67/388576467.db2.gz WKTDVYAXOVCPRY-CABZTGNLSA-N 0 1 226.295 2.032 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ncccc1F)C1CC1 ZINC000528824525 388577041 /nfs/dbraw/zinc/57/70/41/388577041.db2.gz OWKWUUXNPPSRTI-JOYOIKCWSA-N 0 1 238.306 2.296 20 0 BEADMN CCOC[C@H]1CCN(Cc2nc(C)c(C)o2)C1 ZINC000081521726 388580718 /nfs/dbraw/zinc/58/07/18/388580718.db2.gz YZKQMHWDOPNECQ-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN CC/C=C/CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000184616146 388580781 /nfs/dbraw/zinc/58/07/81/388580781.db2.gz NCRQLPJBWHDWIZ-HNFMAKEJSA-N 0 1 236.359 2.086 20 0 BEADMN CC/C=C/CCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000184616146 388580784 /nfs/dbraw/zinc/58/07/84/388580784.db2.gz NCRQLPJBWHDWIZ-HNFMAKEJSA-N 0 1 236.359 2.086 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1C/C=C\Cl ZINC000530166202 388618403 /nfs/dbraw/zinc/61/84/03/388618403.db2.gz LZHXYGFNGPOULT-GAGJOLBNSA-N 0 1 241.674 2.016 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1C/C=C\Cl ZINC000530166202 388618405 /nfs/dbraw/zinc/61/84/05/388618405.db2.gz LZHXYGFNGPOULT-GAGJOLBNSA-N 0 1 241.674 2.016 20 0 BEADMN CCCC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185238755 388585951 /nfs/dbraw/zinc/58/59/51/388585951.db2.gz ZLKHAZXPHQJGPQ-OAHLLOKOSA-N 0 1 231.405 2.410 20 0 BEADMN CCCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185238755 388585953 /nfs/dbraw/zinc/58/59/53/388585953.db2.gz ZLKHAZXPHQJGPQ-OAHLLOKOSA-N 0 1 231.405 2.410 20 0 BEADMN C[C@@H]1CSCCN1CCC(=O)OC(C)(C)C ZINC000125296697 388670612 /nfs/dbraw/zinc/67/06/12/388670612.db2.gz BLWLVBYHYDVCKJ-SNVBAGLBSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000125567224 388673241 /nfs/dbraw/zinc/67/32/41/388673241.db2.gz RWIIKHYDWIPMRU-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN c1cnc(CN[C@H]2CCCC23CCC3)nc1 ZINC000522013773 388674931 /nfs/dbraw/zinc/67/49/31/388674931.db2.gz IHHQBKHVVBATJK-NSHDSACASA-N 0 1 217.316 2.289 20 0 BEADMN C[C@@H](NC(=O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000192648958 388681787 /nfs/dbraw/zinc/68/17/87/388681787.db2.gz XNDGAGDVEPFTRG-SECBINFHSA-N 0 1 238.356 2.020 20 0 BEADMN C[C@@H](NC(=O)CN(C)C1CC1)c1cccs1 ZINC000192648958 388681788 /nfs/dbraw/zinc/68/17/88/388681788.db2.gz XNDGAGDVEPFTRG-SECBINFHSA-N 0 1 238.356 2.020 20 0 BEADMN Cc1ccccc1CN(C)[C@H](C)C[S@@](C)=O ZINC000248484334 388682090 /nfs/dbraw/zinc/68/20/90/388682090.db2.gz KANSXELVGZBOBT-MLGOLLRUSA-N 0 1 239.384 2.194 20 0 BEADMN CC[C@H](C)C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530167551 388619617 /nfs/dbraw/zinc/61/96/17/388619617.db2.gz CJASOAUUPNFUJY-CABZTGNLSA-N 0 1 237.299 2.310 20 0 BEADMN CCCC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530171166 388620645 /nfs/dbraw/zinc/62/06/45/388620645.db2.gz WLBIIGHZEVYAIB-LLVKDONJSA-N 0 1 223.272 2.064 20 0 BEADMN COC[C@@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000551089882 388621001 /nfs/dbraw/zinc/62/10/01/388621001.db2.gz VWWUDCGMOAFKNY-KGLIPLIRSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@@H]1CC(C(=O)[O-])C[C@H](C)[N@@H+]1C/C=C/Cl ZINC000530177033 388621211 /nfs/dbraw/zinc/62/12/11/388621211.db2.gz WDJHCGOFXATWTO-ZRVCFGMJSA-N 0 1 231.723 2.313 20 0 BEADMN COC[C@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000551089885 388621815 /nfs/dbraw/zinc/62/18/15/388621815.db2.gz VWWUDCGMOAFKNY-ZIAGYGMSSA-N 0 1 239.359 2.223 20 0 BEADMN CC[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1O ZINC000270868313 388624554 /nfs/dbraw/zinc/62/45/54/388624554.db2.gz IVHMKPAOSHAXRJ-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H](CF)NCc1cc(F)cc(F)c1 ZINC000288475100 388627178 /nfs/dbraw/zinc/62/71/78/388627178.db2.gz PISYNGNMVGQZFI-ZETCQYMHSA-N 0 1 203.207 2.412 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530211228 388627361 /nfs/dbraw/zinc/62/73/61/388627361.db2.gz NQDVIOUWMLBSDW-ZYHUDNBSSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC000530211742 388627733 /nfs/dbraw/zinc/62/77/33/388627733.db2.gz KCLZFKQHWPTZRJ-CMPLNLGQSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530211222 388628041 /nfs/dbraw/zinc/62/80/41/388628041.db2.gz NQDVIOUWMLBSDW-CMPLNLGQSA-N 0 1 239.359 2.465 20 0 BEADMN O=C(Nc1ccsc1)c1ncccc1O ZINC000083142170 388631755 /nfs/dbraw/zinc/63/17/55/388631755.db2.gz FVAVCJNCIIXGTQ-UHFFFAOYSA-N 0 1 220.253 2.101 20 0 BEADMN CC[C@@H]1CN(CCOCC(F)F)CCS1 ZINC000189480529 388634621 /nfs/dbraw/zinc/63/46/21/388634621.db2.gz VRXBIFCZMQZHTG-SECBINFHSA-N 0 1 239.331 2.096 20 0 BEADMN C[C@H](N[C@@H](C)c1cncs1)c1cn[nH]c1 ZINC000222519131 388639894 /nfs/dbraw/zinc/63/98/94/388639894.db2.gz DXZRMRYBTYYFBT-YUMQZZPRSA-N 0 1 222.317 2.278 20 0 BEADMN CC1(C)COCCN1Cc1ccc2nc[nH]c2c1 ZINC000530279014 388646745 /nfs/dbraw/zinc/64/67/45/388646745.db2.gz MKHXOOYVGGZGRC-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1CN(CCCC2CCCC2)C[C@H](CO)O1 ZINC000190154351 388647865 /nfs/dbraw/zinc/64/78/65/388647865.db2.gz GEMNHMJYWNUYEM-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[N@H+](C/C=C/c1ccccc1)CCC(=O)[O-] ZINC000037932800 388650068 /nfs/dbraw/zinc/65/00/68/388650068.db2.gz MSLAPWAGWMHJII-VMPITWQZSA-N 0 1 219.284 2.106 20 0 BEADMN CC(C)OC(=O)[C@@H]1CCCN1CC[C@@H](C)F ZINC000551970617 388650288 /nfs/dbraw/zinc/65/02/88/388650288.db2.gz ZPGQNDTVFUTMJZ-MNOVXSKESA-N 0 1 231.311 2.151 20 0 BEADMN CC(C)C[C@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000307805036 388652408 /nfs/dbraw/zinc/65/24/08/388652408.db2.gz FMFPPTUNFHOBJG-PWSUYJOCSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1nn(C)cc1CNCc1ccc(F)c(C)c1 ZINC000123604044 388654822 /nfs/dbraw/zinc/65/48/22/388654822.db2.gz AGRCNNRVSFGOOE-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000252713991 388658803 /nfs/dbraw/zinc/65/88/03/388658803.db2.gz QSVBSWVBAMFQRB-UBHSHLNASA-N 0 1 246.354 2.381 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C)c(F)c1 ZINC000063468864 388662461 /nfs/dbraw/zinc/66/24/61/388662461.db2.gz AZZLHLJKTBBNKH-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CCNC(=O)CN(CC)Cc1ccc(C)cc1C ZINC000128248938 388742050 /nfs/dbraw/zinc/74/20/50/388742050.db2.gz FKIYEHQERPNTII-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2ccoc2)n[nH]1 ZINC000539063364 388746399 /nfs/dbraw/zinc/74/63/99/388746399.db2.gz BPZMXGVDYRDHQB-IUCAKERBSA-N 0 1 234.303 2.372 20 0 BEADMN CC(C)CC[C@](C)(O)CNCc1nccs1 ZINC000390321050 388748971 /nfs/dbraw/zinc/74/89/71/388748971.db2.gz IJUKHXPLFKBMGE-LBPRGKRZSA-N 0 1 242.388 2.420 20 0 BEADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)NCC ZINC000126589670 388698418 /nfs/dbraw/zinc/69/84/18/388698418.db2.gz NAHITZPTNCVJGF-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CCN(Cc2ncccn2)C[C@@H](C)C1 ZINC000248911074 388698968 /nfs/dbraw/zinc/69/89/68/388698968.db2.gz YBVQZHHHMWAQRX-RYUDHWBXSA-N 0 1 219.332 2.345 20 0 BEADMN Cc1ccoc1CN1CCN(C(C)C)CC1 ZINC000127030369 388712233 /nfs/dbraw/zinc/71/22/33/388712233.db2.gz OLXYCIWWFXBFLZ-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN Cc1ccccc1[C@H](C)N1C[C@@H](C)O[C@H](CO)C1 ZINC000249271529 388714110 /nfs/dbraw/zinc/71/41/10/388714110.db2.gz JFQHEJJOCICYBI-RDBSUJKOSA-N 0 1 249.354 2.138 20 0 BEADMN CCc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)n[nH]1 ZINC000127095434 388715326 /nfs/dbraw/zinc/71/53/26/388715326.db2.gz WULCQDUFKRFLRY-VIFPVBQESA-N 0 1 247.342 2.375 20 0 BEADMN Cc1cccc([C@H](C)N2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000249371352 388718034 /nfs/dbraw/zinc/71/80/34/388718034.db2.gz PBAHRAAMFWJGMD-VNHYZAJKSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1cccc([C@H](C)N2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000249371348 388718312 /nfs/dbraw/zinc/71/83/12/388718312.db2.gz PBAHRAAMFWJGMD-IPYPFGDCSA-N 0 1 249.354 2.138 20 0 BEADMN C[C@H]1c2cccn2CCN1CC[C@H]1CCCO1 ZINC000249437480 388721999 /nfs/dbraw/zinc/72/19/99/388721999.db2.gz SMGNMZOALYWRBL-QWHCGFSZSA-N 0 1 234.343 2.434 20 0 BEADMN CC[N@@H+](CC(=O)NCc1ccc(C)cc1)C(C)C ZINC000194093975 388722586 /nfs/dbraw/zinc/72/25/86/388722586.db2.gz IFWIGOJFOSRGEU-UHFFFAOYSA-N 0 1 248.370 2.342 20 0 BEADMN CC[N@@H+](CC(=O)Nc1ccccc1)C(C)C ZINC000194095344 388723325 /nfs/dbraw/zinc/72/33/25/388723325.db2.gz KKBKODDIXIWQHO-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN CC[C@H](c1ccccc1)N1C[C@H](CO)O[C@@H](C)C1 ZINC000249498650 388724554 /nfs/dbraw/zinc/72/45/54/388724554.db2.gz WRGFSPBAEHUWPT-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1cccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c1 ZINC000249555805 388727151 /nfs/dbraw/zinc/72/71/51/388727151.db2.gz JQYQFFLJDUQOFN-JSGCOSHPSA-N 0 1 246.354 2.081 20 0 BEADMN COC(=O)[C@]1(C)CCCN1[C@@H]1C=CCCC1 ZINC000249591181 388729814 /nfs/dbraw/zinc/72/98/14/388729814.db2.gz VLBMYUZKGITICV-YPMHNXCESA-N 0 1 223.316 2.123 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCCCC1 ZINC000067226887 388731057 /nfs/dbraw/zinc/73/10/57/388731057.db2.gz TZUYKGIBCHCQIM-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263360643 135348929 /nfs/dbraw/zinc/34/89/29/135348929.db2.gz RWIOMELHWYEIDS-HBNTYKKESA-N 0 1 213.321 2.075 20 0 BEADMN COC[C@@H]1CN([C@@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000251997945 388758102 /nfs/dbraw/zinc/75/81/02/388758102.db2.gz WJGSVUHJPUFHHE-IPYPFGDCSA-N 0 1 249.354 2.483 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCC(C(C)C)CC1 ZINC000227840222 388760439 /nfs/dbraw/zinc/76/04/39/388760439.db2.gz SGOOJWGSEHNIBD-CYBMUJFWSA-N 0 1 239.359 2.306 20 0 BEADMN Cc1nc([C@H](C)NCCC[C@@H](C)O)cs1 ZINC000228039205 388765254 /nfs/dbraw/zinc/76/52/54/388765254.db2.gz YYDBEECIQSKTTN-BDAKNGLRSA-N 0 1 228.361 2.263 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C/C=C/Cl ZINC000252520456 388768804 /nfs/dbraw/zinc/76/88/04/388768804.db2.gz PZBOHUYMSJEYRA-SHJRHDGBSA-N 0 1 243.734 2.457 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C[C@@H]1C ZINC000648742450 388776048 /nfs/dbraw/zinc/77/60/48/388776048.db2.gz XZIXYPOJKZBLMF-FZMZJTMJSA-N 0 1 235.327 2.249 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@H](C)c1cscn1 ZINC000252787631 388782784 /nfs/dbraw/zinc/78/27/84/388782784.db2.gz DALAYPKAABHTLK-IQJOONFLSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1oncc1CN1CCS[C@@H](C)[C@@H]1C ZINC000128671409 388783639 /nfs/dbraw/zinc/78/36/39/388783639.db2.gz FBWAMWBDQCKTAD-WPRPVWTQSA-N 0 1 226.345 2.309 20 0 BEADMN CCN(CCCO)Cc1cnc(C2CC2)s1 ZINC000539835861 388783928 /nfs/dbraw/zinc/78/39/28/388783928.db2.gz QYKMIEWYMQRUAP-UHFFFAOYSA-N 0 1 240.372 2.225 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1cscn1 ZINC000252789044 388785232 /nfs/dbraw/zinc/78/52/32/388785232.db2.gz WQWOEWQMCUONAP-ATZCPNFKSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](CF)NCc1ccc(F)c(F)c1 ZINC000288545963 388791437 /nfs/dbraw/zinc/79/14/37/388791437.db2.gz XFOYKQZURCGKIQ-SSDOTTSWSA-N 0 1 203.207 2.412 20 0 BEADMN C[C@@H](CF)NCc1ccc(F)c(F)c1 ZINC000288545967 388791454 /nfs/dbraw/zinc/79/14/54/388791454.db2.gz XFOYKQZURCGKIQ-ZETCQYMHSA-N 0 1 203.207 2.412 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CC3CCC2CC3)c1C ZINC000554510412 388817088 /nfs/dbraw/zinc/81/70/88/388817088.db2.gz WSOYLXRGLXFBDV-MCIGGMRASA-N 0 1 247.342 2.335 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@@H]2C)cs1 ZINC000230154583 388817180 /nfs/dbraw/zinc/81/71/80/388817180.db2.gz MFDAWKOHIQJUEJ-LDYMZIIASA-N 0 1 226.345 2.109 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@H]2C)cs1 ZINC000230154589 388818223 /nfs/dbraw/zinc/81/82/23/388818223.db2.gz MFDAWKOHIQJUEJ-KWQFWETISA-N 0 1 226.345 2.109 20 0 BEADMN CCOC(=O)[C@@H](C)N(CC)CC1CCC1 ZINC000230322379 388823621 /nfs/dbraw/zinc/82/36/21/388823621.db2.gz ATMKRRFLUMTHKD-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CN1CCC[C@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000540907686 388823909 /nfs/dbraw/zinc/82/39/09/388823909.db2.gz IDMOZMJIMIWAEM-KBPBESRZSA-N 0 1 244.338 2.054 20 0 BEADMN CCN1C[C@@H](C)[N@@H+](CC=C(C)C)C[C@@H]1C ZINC000334411571 135395841 /nfs/dbraw/zinc/39/58/41/135395841.db2.gz NGDWZYQRKCMODP-QWHCGFSZSA-N 0 1 210.365 2.367 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)Cc1nncn1C ZINC000554837253 388832642 /nfs/dbraw/zinc/83/26/42/388832642.db2.gz LDWBNZHIZZNCSM-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN C[C@H](C1CCCCC1)N(C)Cc1nncn1C ZINC000554837241 388832861 /nfs/dbraw/zinc/83/28/61/388832861.db2.gz LDWBNZHIZZNCSM-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NCC(F)(F)CO ZINC000231792454 388842323 /nfs/dbraw/zinc/84/23/23/388842323.db2.gz RDDUDENDRPEZTK-WDEREUQCSA-N 0 1 235.318 2.418 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000129858763 388873961 /nfs/dbraw/zinc/87/39/61/388873961.db2.gz PIPBERAUWZEIPB-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCCF)C[C@H]1C(=O)[O-] ZINC000564964918 388902819 /nfs/dbraw/zinc/90/28/19/388902819.db2.gz FPFAPWWEOBSIAT-GHMZBOCLSA-N 0 1 231.311 2.169 20 0 BEADMN CC[C@@H]1CCCN(Cc2snnc2C)C1 ZINC000564701929 388885366 /nfs/dbraw/zinc/88/53/66/388885366.db2.gz MXESCMSTYNWKQV-SNVBAGLBSA-N 0 1 225.361 2.469 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000565102146 388915082 /nfs/dbraw/zinc/91/50/82/388915082.db2.gz DNSDUSFRKIPRST-SECBINFHSA-N 0 1 237.299 2.382 20 0 BEADMN CC(C)=CC[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000565112171 388915866 /nfs/dbraw/zinc/91/58/66/388915866.db2.gz ZCBBZSVSSMJWHD-SNVBAGLBSA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000565256007 388932892 /nfs/dbraw/zinc/93/28/92/388932892.db2.gz WGIWVQYOMJZEBR-NWDGAFQWSA-N 0 1 225.332 2.362 20 0 BEADMN CCCC[N@@H+](CCO)Cc1ccc(Cl)cn1 ZINC000305828039 388959537 /nfs/dbraw/zinc/95/95/37/388959537.db2.gz TZQRAWCSVPENOQ-UHFFFAOYSA-N 0 1 242.750 2.329 20 0 BEADMN CC(C)c1nnc(CN2C[C@H]3CCC[C@@H]3C2)n1C ZINC000153372088 388967154 /nfs/dbraw/zinc/96/71/54/388967154.db2.gz HSVWRYRKKVFOLM-VXGBXAGGSA-N 0 1 248.374 2.170 20 0 BEADMN COC[C@H](Cc1ccccc1)NCc1ccno1 ZINC000565539840 388953035 /nfs/dbraw/zinc/95/30/35/388953035.db2.gz FAYYLZRGLARSNC-ZDUSSCGKSA-N 0 1 246.310 2.022 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000565599854 388956890 /nfs/dbraw/zinc/95/68/90/388956890.db2.gz DYRWUXKDEIWYAQ-NNOMMRTBSA-N 0 1 211.305 2.138 20 0 BEADMN CCN(CC(=O)NCC1(CC)CCC1)C1CC1 ZINC000153485468 388979502 /nfs/dbraw/zinc/97/95/02/388979502.db2.gz RLUNQDOBANJDMB-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)(C)OC(=O)C1CN(CC2(C)CC2)C1 ZINC000565937491 388979618 /nfs/dbraw/zinc/97/96/18/388979618.db2.gz KBWDCGDZGAQORG-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CO[C@H](C)C2)n1 ZINC000566009297 388983357 /nfs/dbraw/zinc/98/33/57/388983357.db2.gz MNXVCQGWGRIZOC-BBBLOLIVSA-N 0 1 239.319 2.008 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CO[C@H](C)C2)n1 ZINC000566009299 388983560 /nfs/dbraw/zinc/98/35/60/388983560.db2.gz MNXVCQGWGRIZOC-UTLUCORTSA-N 0 1 239.319 2.008 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNc1cc(C)ccn1 ZINC000268295552 389002635 /nfs/dbraw/zinc/00/26/35/389002635.db2.gz FRTUVDMAZQZMJC-MNOVXSKESA-N 0 1 208.305 2.209 20 0 BEADMN CC[C@H](N[C@H](C)C(N)=O)c1ccc(Cl)s1 ZINC000268724385 389003531 /nfs/dbraw/zinc/00/35/31/389003531.db2.gz JUWGKJQTFRXFTA-RQJHMYQMSA-N 0 1 246.763 2.316 20 0 BEADMN CN(CCCO)Cc1ccc(Cl)cc1F ZINC000264465201 388991815 /nfs/dbraw/zinc/99/18/15/388991815.db2.gz PRUAOWZWWWKRSF-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCCC1(C)C)C1CC1 ZINC000153407934 388970546 /nfs/dbraw/zinc/97/05/46/388970546.db2.gz AOLNSKUYCFJBKT-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1[nH]ncc1CNc1cc(C(C)C)on1 ZINC000271939432 389027861 /nfs/dbraw/zinc/02/78/61/389027861.db2.gz OGOBRLOIWJDVND-UHFFFAOYSA-N 0 1 220.276 2.442 20 0 BEADMN CC[C@H]1CN(Cc2ccc(F)cc2F)C[C@H]1O ZINC000270868311 389015613 /nfs/dbraw/zinc/01/56/13/389015613.db2.gz IVHMKPAOSHAXRJ-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1O ZINC000270846041 389015668 /nfs/dbraw/zinc/01/56/68/389015668.db2.gz FZEFQFIXBRDJBF-GXFFZTMASA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cccnc1 ZINC000271543375 389019405 /nfs/dbraw/zinc/01/94/05/389019405.db2.gz RBWXJANKSFXFHJ-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccncc1 ZINC000271497612 389021703 /nfs/dbraw/zinc/02/17/03/389021703.db2.gz LQXFJXOMIPOZGN-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccnc1 ZINC000271543369 389022150 /nfs/dbraw/zinc/02/21/50/389022150.db2.gz RBWXJANKSFXFHJ-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)CCO2 ZINC000271762706 389024511 /nfs/dbraw/zinc/02/45/11/389024511.db2.gz DAOOROVHPJLGNS-SECBINFHSA-N 0 1 209.264 2.242 20 0 BEADMN CCN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000124287528 169690576 /nfs/dbraw/zinc/69/05/76/169690576.db2.gz OBGXWPZXVAQHQF-UHFFFAOYSA-N 0 1 243.310 2.477 20 0 BEADMN CO[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1OC ZINC000488020222 533470255 /nfs/dbraw/zinc/47/02/55/533470255.db2.gz BMBMOBCKIPVWTO-AJNJCKRNSA-N 0 1 247.338 2.045 20 0 BEADMN CC[C@H]1CCCCN1c1ncnc2[nH]cnc21 ZINC000298452623 132222337 /nfs/dbraw/zinc/22/23/37/132222337.db2.gz VEPKMLOUVTTZMK-VIFPVBQESA-N 0 1 231.303 2.122 20 0 BEADMN Clc1cc(N2CCN(C3CC3)CC2)ccn1 ZINC000223598500 132291602 /nfs/dbraw/zinc/29/16/02/132291602.db2.gz MEDRPQFQKBJCOO-UHFFFAOYSA-N 0 1 237.734 2.019 20 0 BEADMN CC(C)c1cc(N2C[C@@H](C)N(C)[C@H](C)C2)ncn1 ZINC000338793177 132457260 /nfs/dbraw/zinc/45/72/60/132457260.db2.gz JGVXUBAXVBLYIT-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)NCc1ncc(Br)s1 ZINC000083883416 133562355 /nfs/dbraw/zinc/56/23/55/133562355.db2.gz DJRAQXFAIJZUEH-UHFFFAOYSA-N 0 1 235.150 2.404 20 0 BEADMN C[C@@H]1CN(Cc2cncs2)C[C@H](C)S1 ZINC000092540430 133567618 /nfs/dbraw/zinc/56/76/18/133567618.db2.gz DZQYNFIPVQFFDG-DTORHVGOSA-N 0 1 228.386 2.469 20 0 BEADMN COC(=O)[C@H](C)[C@H](NCCF)c1ccccc1 ZINC000345764317 133789894 /nfs/dbraw/zinc/78/98/94/133789894.db2.gz FEUHXYUPWPFMMQ-PWSUYJOCSA-N 0 1 239.290 2.096 20 0 BEADMN Cc1ccc(NC(=O)N2CCNC[C@H]2C)c(C)c1 ZINC000335270018 133824898 /nfs/dbraw/zinc/82/48/98/133824898.db2.gz ABHIQSBYXCZUAK-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@H]1CC[C@H](C)N1C(=O)c1cnc(C2CC2)[nH]1 ZINC000335430310 133843998 /nfs/dbraw/zinc/84/39/98/133843998.db2.gz DHXLRGNYJNNZLX-DTORHVGOSA-N 0 1 233.315 2.300 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@H](C2CCCC2)C1 ZINC000335502831 133868817 /nfs/dbraw/zinc/86/88/17/133868817.db2.gz KJQIYBPCGLRJMR-AAEUAGOBSA-N 0 1 248.374 2.388 20 0 BEADMN CC(C)n1ncnc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000335779077 133901286 /nfs/dbraw/zinc/90/12/86/133901286.db2.gz KWFVQORJMMZBMF-CHWSQXEVSA-N 0 1 248.374 2.481 20 0 BEADMN COC1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000349763571 133907433 /nfs/dbraw/zinc/90/74/33/133907433.db2.gz KDZQKPHKFTVUGY-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN OC[C@]1(F)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000335929427 134009988 /nfs/dbraw/zinc/00/99/88/134009988.db2.gz XCLSHOQNNZXEEQ-AWEZNQCLSA-N 0 1 248.301 2.074 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351956962 134016779 /nfs/dbraw/zinc/01/67/79/134016779.db2.gz DOEMALRJFDUFHX-VYUIOLGVSA-N 0 1 241.281 2.338 20 0 BEADMN Cc1noc([C@H]2CCCCN2CC2CC2)n1 ZINC000335943040 134018171 /nfs/dbraw/zinc/01/81/71/134018171.db2.gz JXAXFGZDVZYASY-LLVKDONJSA-N 0 1 221.304 2.315 20 0 BEADMN c1csc(CN2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000335944677 134019629 /nfs/dbraw/zinc/01/96/29/134019629.db2.gz ANJXXDZZBRLFPT-GHMZBOCLSA-N 0 1 238.356 2.002 20 0 BEADMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCCCC1 ZINC000335948854 134021013 /nfs/dbraw/zinc/02/10/13/134021013.db2.gz KHBAGRJBZJIWRB-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)C2CCCCC2)CCN1C ZINC000335948854 134021014 /nfs/dbraw/zinc/02/10/14/134021014.db2.gz KHBAGRJBZJIWRB-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc[nH]1 ZINC000335949264 134021429 /nfs/dbraw/zinc/02/14/29/134021429.db2.gz NIFPBUNNVJPRSQ-UHFFFAOYSA-N 0 1 240.213 2.236 20 0 BEADMN CCC1(CC)CN(CCCCF)CC[S@@]1=O ZINC000351993579 134032782 /nfs/dbraw/zinc/03/27/82/134032782.db2.gz JOAWWHMCRGYKAJ-INIZCTEOSA-N 0 1 249.395 2.359 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCCC2(CC2)C1 ZINC000351994392 134033004 /nfs/dbraw/zinc/03/30/04/134033004.db2.gz MRCGXFODFDPHHE-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000336052419 134065061 /nfs/dbraw/zinc/06/50/61/134065061.db2.gz LVUQSZWLVGCPJZ-IUODEOHRSA-N 0 1 233.355 2.452 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000336052420 134065160 /nfs/dbraw/zinc/06/51/60/134065160.db2.gz LVUQSZWLVGCPJZ-SWLSCSKDSA-N 0 1 233.355 2.452 20 0 BEADMN CCc1cc(C(=O)N2CCCC23CCC3)n[nH]1 ZINC000336057721 134067289 /nfs/dbraw/zinc/06/72/89/134067289.db2.gz GZUPPZIHVDNPCR-UHFFFAOYSA-N 0 1 233.315 2.131 20 0 BEADMN C[C@H]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC000336076265 134073536 /nfs/dbraw/zinc/07/35/36/134073536.db2.gz HKZCGFYDXWNYEU-VHSXEESVSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H]1C[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352124391 134074902 /nfs/dbraw/zinc/07/49/02/134074902.db2.gz XZLGTZZWZLCBRV-SFYZADRCSA-N 0 1 227.254 2.416 20 0 BEADMN CCCC(C)(C)NC(=O)CN1CCC(C)CC1 ZINC000352124370 134075087 /nfs/dbraw/zinc/07/50/87/134075087.db2.gz XSGUQKIHDLZXTM-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN O[C@@H]1CN(Cc2ccccc2Cl)CC12CC2 ZINC000336108094 134085534 /nfs/dbraw/zinc/08/55/34/134085534.db2.gz BYYZZLYKWDLKPE-GFCCVEGCSA-N 0 1 237.730 2.297 20 0 BEADMN NC(=O)CN1CCSC2(CCCCC2)C1 ZINC000336112786 134087172 /nfs/dbraw/zinc/08/71/72/134087172.db2.gz VUHJATKKOKSPML-UHFFFAOYSA-N 0 1 228.361 2.273 20 0 BEADMN Cc1noc([C@@H]2CCCN2C2CCCC2)n1 ZINC000336114436 134087589 /nfs/dbraw/zinc/08/75/89/134087589.db2.gz WZQHCCLUZHHNOC-NSHDSACASA-N 0 1 221.304 2.458 20 0 BEADMN CC1(C)CC[C@H]1NCc1nnc2n1CCCCC2 ZINC000336113963 134087859 /nfs/dbraw/zinc/08/78/59/134087859.db2.gz JOYIWJFPMTUYGS-LLVKDONJSA-N 0 1 248.374 2.283 20 0 BEADMN CC1(C)C[N@@H+](CC2(O)CCC2)[C@@H]1c1ccncc1 ZINC000336127150 134093450 /nfs/dbraw/zinc/09/34/50/134093450.db2.gz OASYKTVPEXVWCY-CYBMUJFWSA-N 0 1 246.354 2.380 20 0 BEADMN C[C@H](C(=O)N1CCC(c2cnc[nH]2)CC1)C1CC1 ZINC000336142621 134100869 /nfs/dbraw/zinc/10/08/69/134100869.db2.gz PXGMNJTYRMPNER-JTQLQIEISA-N 0 1 247.342 2.162 20 0 BEADMN C[C@@H](C(=O)N1CCC(c2cnc[nH]2)CC1)C1CC1 ZINC000336142622 134100937 /nfs/dbraw/zinc/10/09/37/134100937.db2.gz PXGMNJTYRMPNER-SNVBAGLBSA-N 0 1 247.342 2.162 20 0 BEADMN O=C1CC[C@H](NCCF)c2cc(F)ccc2N1 ZINC000336145116 134101967 /nfs/dbraw/zinc/10/19/67/134101967.db2.gz PGTKXRTUOANMGO-JTQLQIEISA-N 0 1 240.253 2.158 20 0 BEADMN Cc1ccc([C@@]2(C)CCN(CC(N)=O)C2)cc1 ZINC000336156268 134106284 /nfs/dbraw/zinc/10/62/84/134106284.db2.gz UEROJJQXJBRMMO-AWEZNQCLSA-N 0 1 232.327 2.494 20 0 BEADMN CN(C(=O)c1c(O)cccc1F)[C@H]1CC1(C)C ZINC000336157935 134106541 /nfs/dbraw/zinc/10/65/41/134106541.db2.gz MWHJYNCHFPCKBM-JTQLQIEISA-N 0 1 237.274 2.402 20 0 BEADMN c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)on1 ZINC000336174347 134116433 /nfs/dbraw/zinc/11/64/33/134116433.db2.gz JTIHMSOFNDRFBC-CMPLNLGQSA-N 0 1 206.289 2.439 20 0 BEADMN NC(=O)[C@H]1CCCCN1CC1CC(F)(F)C1 ZINC000336196463 134126011 /nfs/dbraw/zinc/12/60/11/134126011.db2.gz MMPKALYTTDMEPD-SECBINFHSA-N 0 1 232.274 2.421 20 0 BEADMN O[C@@]1(C(F)F)CCN(Cc2cccc(F)c2)C1 ZINC000336207376 134132855 /nfs/dbraw/zinc/13/28/55/134132855.db2.gz OLBZLXUYBZJFGO-LBPRGKRZSA-N 0 1 245.244 2.028 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000171834064 134260844 /nfs/dbraw/zinc/26/08/44/134260844.db2.gz VKQJUJHQJSSHBB-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCc1noc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000172970181 134271346 /nfs/dbraw/zinc/27/13/46/134271346.db2.gz DBJQZFSMYUDQKN-BBBLOLIVSA-N 0 1 235.331 2.281 20 0 BEADMN Cn1cccc1C(=O)CN1CCC2(CCCC2)C1 ZINC000173828327 134277977 /nfs/dbraw/zinc/27/79/77/134277977.db2.gz RTJYQUGAAWURRB-UHFFFAOYSA-N 0 1 246.354 2.474 20 0 BEADMN Cc1cnc([C@H](NCc2cnc[nH]2)C2CC2)s1 ZINC000174545742 134282295 /nfs/dbraw/zinc/28/22/95/134282295.db2.gz YRQKLDIEHMWWJI-LLVKDONJSA-N 0 1 248.355 2.416 20 0 BEADMN COc1ccc(C)cc1CNC[C@@H]1CCC[N@@H+]1C ZINC000221148521 134317137 /nfs/dbraw/zinc/31/71/37/134317137.db2.gz DDRSFKVNRRHGKQ-AWEZNQCLSA-N 0 1 248.370 2.187 20 0 BEADMN CCc1nc(CN[C@@]2(C)CCCOC2)cs1 ZINC000221338904 134320237 /nfs/dbraw/zinc/32/02/37/134320237.db2.gz HCNGCDHABHWASM-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN CN(Cc1nnc[nH]1)CC1CCC(C)(C)CC1 ZINC000179794292 134323987 /nfs/dbraw/zinc/32/39/87/134323987.db2.gz PCYJCBGQBXTGBY-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCCN(Cc1nnc(C2CC2)[nH]1)CC1CC1 ZINC000180401187 134326976 /nfs/dbraw/zinc/32/69/76/134326976.db2.gz CUXYQZOXMMIHRF-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)ccc1Cl ZINC000180410605 134327147 /nfs/dbraw/zinc/32/71/47/134327147.db2.gz JPVWGKBLJHTOKV-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN CO[C@@H](C)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000182232391 134343534 /nfs/dbraw/zinc/34/35/34/134343534.db2.gz AALQKZMGSOSYPH-DZGCQCFKSA-N 0 1 249.354 2.269 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000183034438 134350741 /nfs/dbraw/zinc/35/07/41/134350741.db2.gz SWOHCCDIGKYRRJ-JTQLQIEISA-N 0 1 221.304 2.205 20 0 BEADMN C[C@H](O)C[C@H](C)NCc1ncc(Cl)s1 ZINC000225381493 134354637 /nfs/dbraw/zinc/35/46/37/134354637.db2.gz XPQVTYBIZWGJLG-BQBZGAKWSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H](NCc1cncc(F)c1)c1cccnc1 ZINC000226095759 134358844 /nfs/dbraw/zinc/35/88/44/134358844.db2.gz UGIJBGNKEVCGDS-JTQLQIEISA-N 0 1 231.274 2.467 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227196814 134374906 /nfs/dbraw/zinc/37/49/06/134374906.db2.gz RDGMWGDKKJHNMC-OCCSQVGLSA-N 0 1 249.354 2.206 20 0 BEADMN OC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000227196933 134375043 /nfs/dbraw/zinc/37/50/43/134375043.db2.gz YECDWWDYJBRBDH-HJHHMULASA-N 0 1 217.312 2.014 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H]1C ZINC000227519441 134382381 /nfs/dbraw/zinc/38/23/81/134382381.db2.gz LTEUNMJZOSGMNA-VHSXEESVSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@]1(C(N)=O)CCCC[N@H+]1CCC1CCCC1 ZINC000185935992 134397052 /nfs/dbraw/zinc/39/70/52/134397052.db2.gz JLAKSQQISORXQP-CQSZACIVSA-N 0 1 238.375 2.297 20 0 BEADMN Cc1ncsc1CNCc1cncs1 ZINC000070836851 135014029 /nfs/dbraw/zinc/01/40/29/135014029.db2.gz KBISQAIPTJIZNZ-UHFFFAOYSA-N 0 1 225.342 2.198 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000076150265 135014324 /nfs/dbraw/zinc/01/43/24/135014324.db2.gz CKTCMPDAVLQYQX-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)CO[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000248622552 135016925 /nfs/dbraw/zinc/01/69/25/135016925.db2.gz NOYNILXWFVJNCY-OLZOCXBDSA-N 0 1 249.358 2.285 20 0 BEADMN CCCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000070947160 135017191 /nfs/dbraw/zinc/01/71/91/135017191.db2.gz IPTIUMWRPPGOHA-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H]1CN([C@H](C)c2cnccn2)CCS1 ZINC000248625168 135017555 /nfs/dbraw/zinc/01/75/55/135017555.db2.gz OYUYVBFDRCVUSJ-GHMZBOCLSA-N 0 1 237.372 2.365 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000248747020 135020142 /nfs/dbraw/zinc/02/01/42/135020142.db2.gz DXKXTJVEEGMWHJ-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN CCN(Cc1ccccn1)C[C@H]1CC[C@@H](C)O1 ZINC000248885475 135024734 /nfs/dbraw/zinc/02/47/34/135024734.db2.gz HEUDUNCIGSUHLJ-TZMCWYRMSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)C[C@@H](C)O1 ZINC000248894544 135024832 /nfs/dbraw/zinc/02/48/32/135024832.db2.gz JGOGWBDQCDOMJU-LPWJVIDDSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)C[C@H](C)O1 ZINC000248894548 135025134 /nfs/dbraw/zinc/02/51/34/135025134.db2.gz JGOGWBDQCDOMJU-XQHKEYJVSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)CC2CCCC2)[C@H](C)CO1 ZINC000248990208 135029256 /nfs/dbraw/zinc/02/92/56/135029256.db2.gz YAZZKUXLDKIILB-BZPMIXESSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@H](O)CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000249600858 135041679 /nfs/dbraw/zinc/04/16/79/135041679.db2.gz QLXSHLKCRXFFFR-OSFYFWSMSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCC1 ZINC000249310675 135042939 /nfs/dbraw/zinc/04/29/39/135042939.db2.gz LUQOKKWIPNCUBN-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN O=C([C@@H]1CC=CCC1)N1CCN2CCCC[C@H]2C1 ZINC000250206000 135050212 /nfs/dbraw/zinc/05/02/12/135050212.db2.gz QWWKOBYROVRFBT-KGLIPLIRSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)n[nH]1 ZINC000077492576 135069175 /nfs/dbraw/zinc/06/91/75/135069175.db2.gz UJYCUECDXWODQX-ONGXEEELSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2ccc(CN)o2)CC1 ZINC000252709841 135099102 /nfs/dbraw/zinc/09/91/02/135099102.db2.gz DZEKUADUEZGWSF-MGCOHNPYSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1nc(CN[C@@H]2CS[C@H](C)C2)cs1 ZINC000086935505 135104087 /nfs/dbraw/zinc/10/40/87/135104087.db2.gz QQYNADNONKIZII-APPZFPTMSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1csc(CN[C@@H]2CS[C@H](C)C2)n1 ZINC000086935427 135104321 /nfs/dbraw/zinc/10/43/21/135104321.db2.gz CIMRHCJZEMJRID-BDAKNGLRSA-N 0 1 228.386 2.435 20 0 BEADMN CC[C@H]1CCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000252743559 135106376 /nfs/dbraw/zinc/10/63/76/135106376.db2.gz MGGNGPNQXXJKFZ-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCO[C@@H]1C[C@H](N[C@H](C)c2ncc[nH]2)C12CCC2 ZINC000252978102 135118850 /nfs/dbraw/zinc/11/88/50/135118850.db2.gz AIMUMLSQDLLNAU-GRYCIOLGSA-N 0 1 249.358 2.408 20 0 BEADMN Cc1nc(CN[C@@H]2CCCOC2)sc1C ZINC000087375992 135127219 /nfs/dbraw/zinc/12/72/19/135127219.db2.gz BGKQLGKBOZYHRX-SNVBAGLBSA-N 0 1 226.345 2.029 20 0 BEADMN CCc1ccc(CC[N@@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000258956375 135136039 /nfs/dbraw/zinc/13/60/39/135136039.db2.gz VJRYDGUWIYAZMV-LBPRGKRZSA-N 0 1 249.354 2.444 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2c(c1)CCCC2 ZINC000258942143 135136102 /nfs/dbraw/zinc/13/61/02/135136102.db2.gz TUFGPFMUPIOBRU-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN CC(C)(C)CCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000261527284 135151276 /nfs/dbraw/zinc/15/12/76/135151276.db2.gz LRFNELGUPCXYNF-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000261530597 135158184 /nfs/dbraw/zinc/15/81/84/135158184.db2.gz KKDPJWOCKMCBEW-DGCLKSJQSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000261530501 135158411 /nfs/dbraw/zinc/15/84/11/135158411.db2.gz FRMPTCFLUIQWCA-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc(CNCCOC(F)(F)F)o1 ZINC000084177977 135189950 /nfs/dbraw/zinc/18/99/50/135189950.db2.gz CRIWAQORFWRCBE-UHFFFAOYSA-N 0 1 223.194 2.214 20 0 BEADMN c1sc(C2CC2)nc1CN[C@H]1CCCOC1 ZINC000164043007 135212216 /nfs/dbraw/zinc/21/22/16/135212216.db2.gz KMCWORZMCMNTFH-JTQLQIEISA-N 0 1 238.356 2.289 20 0 BEADMN C[C@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@@H]1C ZINC000164128437 135213470 /nfs/dbraw/zinc/21/34/70/135213470.db2.gz UJYWLTJCSJJDKO-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN O=C([O-])[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000261590056 135231149 /nfs/dbraw/zinc/23/11/49/135231149.db2.gz UIPRCXUPSCGGNA-QMMMGPOBSA-N 0 1 240.690 2.036 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000261598385 135236822 /nfs/dbraw/zinc/23/68/22/135236822.db2.gz ZLOOMUUZJNEMDI-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000078793985 135242688 /nfs/dbraw/zinc/24/26/88/135242688.db2.gz YWQHHYMZGMIURT-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN Cc1ccc(Cc2nc(C3(N)CCC3)no2)cc1 ZINC000261792194 135253247 /nfs/dbraw/zinc/25/32/47/135253247.db2.gz GFOISNWRYFQLIA-UHFFFAOYSA-N 0 1 243.310 2.307 20 0 BEADMN NC1(c2noc([C@@H]3CC34CCCC4)n2)CCC1 ZINC000261807565 135254309 /nfs/dbraw/zinc/25/43/09/135254309.db2.gz HKZKXPRGWUUPGB-VIFPVBQESA-N 0 1 233.315 2.455 20 0 BEADMN Cc1cc(-c2noc([C@H]3CCN3)n2)ccc1F ZINC000261808252 135254334 /nfs/dbraw/zinc/25/43/34/135254334.db2.gz POPLHBRZZJKACJ-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN NC1(c2noc([C@H]3CC34CCCC4)n2)CCC1 ZINC000261807562 135254432 /nfs/dbraw/zinc/25/44/32/135254432.db2.gz HKZKXPRGWUUPGB-SECBINFHSA-N 0 1 233.315 2.455 20 0 BEADMN C[C@@H]1CC[C@@H](Cc2nc(C3(N)CCC3)no2)C1 ZINC000261906194 135261699 /nfs/dbraw/zinc/26/16/99/135261699.db2.gz ZBSAOGYRXPEXHP-NXEZZACHSA-N 0 1 235.331 2.386 20 0 BEADMN NC1(c2noc(/C=C/C3CC3)n2)CCCC1 ZINC000261958753 135265885 /nfs/dbraw/zinc/26/58/85/135265885.db2.gz PANATTJSIRWWLO-AATRIKPKSA-N 0 1 219.288 2.221 20 0 BEADMN Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000262155942 135282166 /nfs/dbraw/zinc/28/21/66/135282166.db2.gz AKZQCFCLRSDNTE-CYBMUJFWSA-N 0 1 233.311 2.087 20 0 BEADMN CCc1csc(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000342561259 135288833 /nfs/dbraw/zinc/28/88/33/135288833.db2.gz VOMCWMDYKAZJLP-NXEZZACHSA-N 0 1 239.388 2.234 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000262280871 135289996 /nfs/dbraw/zinc/28/99/96/135289996.db2.gz VRJNDDMBQLFBLU-SECBINFHSA-N 0 1 237.274 2.263 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000262301964 135291385 /nfs/dbraw/zinc/29/13/85/135291385.db2.gz ZYFVEMZWEAPONT-VIFPVBQESA-N 0 1 237.274 2.263 20 0 BEADMN C[C@@H]1C[N@@H+](CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000262318008 135292832 /nfs/dbraw/zinc/29/28/32/135292832.db2.gz RDDAZBKGGFVBEH-DGCLKSJQSA-N 0 1 233.311 2.197 20 0 BEADMN COC[C@H]1CCCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000342598096 135300937 /nfs/dbraw/zinc/30/09/37/135300937.db2.gz YCLIVFOKEGHKCA-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN COC[C@H]1CCCCN(Cc2ncc(C)cn2)C1 ZINC000342598096 135300939 /nfs/dbraw/zinc/30/09/39/135300939.db2.gz YCLIVFOKEGHKCA-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN CCC1CCN(Cc2ncc(C)n2C)CC1 ZINC000342782305 135317883 /nfs/dbraw/zinc/31/78/83/135317883.db2.gz OSZKQZWJXHDXMY-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN2CCC3(CCC3)C2)n1C ZINC000342779369 135317915 /nfs/dbraw/zinc/31/79/15/135317915.db2.gz LGDZGCJOPCTEKA-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN CCN(Cc1ncc(C)n1C)C1CCCC1 ZINC000342773283 135326981 /nfs/dbraw/zinc/32/69/81/135326981.db2.gz BXHRGKIYVQAJDA-UHFFFAOYSA-N 0 1 221.348 2.493 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000342776111 135327693 /nfs/dbraw/zinc/32/76/93/135327693.db2.gz GCKPZVUARVGEJL-STQMWFEESA-N 0 1 233.359 2.493 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(C)(C)C)C1 ZINC000263061140 135329632 /nfs/dbraw/zinc/32/96/32/135329632.db2.gz MVWJBFHQIXTTCL-ZJUUUORDSA-N 0 1 213.321 2.075 20 0 BEADMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccn1C ZINC000334226669 135330459 /nfs/dbraw/zinc/33/04/59/135330459.db2.gz FSXOQHLRCBCWSK-RYUDHWBXSA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1Cc1cccn1C ZINC000334226669 135330460 /nfs/dbraw/zinc/33/04/60/135330460.db2.gz FSXOQHLRCBCWSK-RYUDHWBXSA-N 0 1 222.332 2.024 20 0 BEADMN CCC[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263081647 135331273 /nfs/dbraw/zinc/33/12/73/135331273.db2.gz RPEDCTVUXMXIAF-TUAOUCFPSA-N 0 1 227.348 2.465 20 0 BEADMN CCC(CC)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263106439 135333566 /nfs/dbraw/zinc/33/35/66/135333566.db2.gz XSGSWNLFQGQOLC-JQWIXIFHSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC1CCCC1 ZINC000342936334 135336391 /nfs/dbraw/zinc/33/63/91/135336391.db2.gz UNTJPYASPGVRFV-HFAKWTLXSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1ccncc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000334301982 135346691 /nfs/dbraw/zinc/34/66/91/135346691.db2.gz ZDNCKXIDEZXELT-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccncc1CN(C)[C@@H]1CCCOC1 ZINC000334301982 135346692 /nfs/dbraw/zinc/34/66/92/135346692.db2.gz ZDNCKXIDEZXELT-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CCCC1)C1CC1 ZINC000263331660 135347568 /nfs/dbraw/zinc/34/75/68/135347568.db2.gz MEOKFTSLVMIZNS-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN CCc1cccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000263340995 135348147 /nfs/dbraw/zinc/34/81/47/135348147.db2.gz NLUUZGFSJYONKQ-NSHDSACASA-N 0 1 235.327 2.402 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263352124 135348814 /nfs/dbraw/zinc/34/88/14/135348814.db2.gz QAUKIWCPYZQPPE-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN C[N@@H+](CCC1CCCCCC1)CC(=O)[O-] ZINC000263362694 135350080 /nfs/dbraw/zinc/35/00/80/135350080.db2.gz UXIKSNJNIPYTHK-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc2occc2c1 ZINC000263395984 135350988 /nfs/dbraw/zinc/35/09/88/135350988.db2.gz GOIBBWAEINLKAK-GFCCVEGCSA-N 0 1 245.278 2.482 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263432264 135353567 /nfs/dbraw/zinc/35/35/67/135353567.db2.gz SOCOQNDKTZOEBK-GFCCVEGCSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000263485512 135357187 /nfs/dbraw/zinc/35/71/87/135357187.db2.gz HGGNHYQKTVPJDH-AAEUAGOBSA-N 0 1 233.311 2.372 20 0 BEADMN CCC[C@H](Nc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000263549047 135359418 /nfs/dbraw/zinc/35/94/18/135359418.db2.gz JJAXSOPTAXYVQE-VIFPVBQESA-N 0 1 228.679 2.400 20 0 BEADMN CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263565643 135360005 /nfs/dbraw/zinc/36/00/05/135360005.db2.gz FQVSFHFWNGIMOK-SECBINFHSA-N 0 1 239.340 2.313 20 0 BEADMN Cn1nccc1CNCc1coc2ccccc12 ZINC000080202621 135367650 /nfs/dbraw/zinc/36/76/50/135367650.db2.gz POWYDHUUUKSLJB-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CC(C)n1nccc1CN1[C@@H](C)C[C@@H]1C ZINC000334348329 135368195 /nfs/dbraw/zinc/36/81/95/135368195.db2.gz YOOYNXKOPFLADK-QWRGUYRKSA-N 0 1 207.321 2.447 20 0 BEADMN CC(C)=CCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000334367890 135374430 /nfs/dbraw/zinc/37/44/30/135374430.db2.gz RRFGCEGNJFHESR-SNVBAGLBSA-N 0 1 237.265 2.342 20 0 BEADMN Cn1ccc(CNCc2ccccc2F)c1 ZINC000080794378 135385216 /nfs/dbraw/zinc/38/52/16/135385216.db2.gz ZMTZPUSCWYWLFJ-UHFFFAOYSA-N 0 1 218.275 2.454 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CC(C)C ZINC000071815596 135389663 /nfs/dbraw/zinc/38/96/63/135389663.db2.gz GKNOJXMAIOTGKA-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN O=C(N[C@H]1CCC[C@H]1F)c1cccc2nc[nH]c21 ZINC000334401543 135389942 /nfs/dbraw/zinc/38/99/42/135389942.db2.gz FQKZJOJCSQCUFC-ZJUUUORDSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000334403405 135392002 /nfs/dbraw/zinc/39/20/02/135392002.db2.gz DUMQFVIXEOQDIC-KOLCDFICSA-N 0 1 222.336 2.124 20 0 BEADMN c1cnc(CN2CCC[C@@H](C3CC3)C2)nc1 ZINC000334412151 135396120 /nfs/dbraw/zinc/39/61/20/135396120.db2.gz LQMVMZNGZUXZPV-GFCCVEGCSA-N 0 1 217.316 2.099 20 0 BEADMN C[C@H]1C[C@@H](NCc2c(Cl)cnn2C)CS1 ZINC000334851943 135405916 /nfs/dbraw/zinc/40/59/16/135405916.db2.gz DHSQLDVOCBMKIS-JGVFFNPUSA-N 0 1 245.779 2.057 20 0 BEADMN c1ccc(CNCCOCC2CCCC2)nc1 ZINC000090812172 135554282 /nfs/dbraw/zinc/55/42/82/135554282.db2.gz ZCLPOWFWHLYZQH-UHFFFAOYSA-N 0 1 234.343 2.378 20 0 BEADMN CS[C@@H]1CC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000230917843 135565757 /nfs/dbraw/zinc/56/57/57/135565757.db2.gz YUXMZGXTUYLAOG-HTQZYQBOSA-N 0 1 249.343 2.049 20 0 BEADMN CN(Cc1ccn(C(F)F)n1)CC1CC1 ZINC000347655258 136002035 /nfs/dbraw/zinc/00/20/35/136002035.db2.gz ADBGPIIXDQSLDP-UHFFFAOYSA-N 0 1 215.247 2.120 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@](C)(O)CC2)o1 ZINC000335297529 136007113 /nfs/dbraw/zinc/00/71/13/136007113.db2.gz CIQGYKOIZYYYJX-WCQYABFASA-N 0 1 238.331 2.281 20 0 BEADMN CN(Cc1ccn(C(F)F)n1)C1CCC1 ZINC000347702389 136007175 /nfs/dbraw/zinc/00/71/75/136007175.db2.gz MBLXGRJEVXJDPK-UHFFFAOYSA-N 0 1 215.247 2.263 20 0 BEADMN Fc1ccccc1CN1CCOCC2(CC2)C1 ZINC000335315119 136024517 /nfs/dbraw/zinc/02/45/17/136024517.db2.gz CWAZZUCHNLPZFK-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000335316575 136025044 /nfs/dbraw/zinc/02/50/44/136025044.db2.gz ROYJZQVBGFHZJS-SNVBAGLBSA-N 0 1 246.310 2.116 20 0 BEADMN C[C@H]1COCCN(Cc2ccccc2F)C1 ZINC000335312725 136030550 /nfs/dbraw/zinc/03/05/50/136030550.db2.gz GVJGCPGAEVKFBC-LLVKDONJSA-N 0 1 223.291 2.294 20 0 BEADMN C[C@H]1CCN(Cc2cc[nH]n2)CC12CCC2 ZINC000335312549 136030818 /nfs/dbraw/zinc/03/08/18/136030818.db2.gz DTMSSYNDOAPMHZ-NSHDSACASA-N 0 1 219.332 2.422 20 0 BEADMN CCSCCN1CCC[C@H]1c1cc[nH]n1 ZINC000348180920 136043419 /nfs/dbraw/zinc/04/34/19/136043419.db2.gz IYWIAKQYQLYILH-NSHDSACASA-N 0 1 225.361 2.300 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@H]2C(F)F)nc1 ZINC000348192756 136049475 /nfs/dbraw/zinc/04/94/75/136049475.db2.gz YMKQTALOLQPYLH-NXEZZACHSA-N 0 1 212.243 2.133 20 0 BEADMN CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]1CC ZINC000348192976 136049527 /nfs/dbraw/zinc/04/95/27/136049527.db2.gz NDUVONGIXWXZAE-UTUOFQBUSA-N 0 1 225.332 2.203 20 0 BEADMN Cn1ccnc1[C@H](N[C@@H]1C[C@@H]1C(F)F)C1CC1 ZINC000348286176 136058525 /nfs/dbraw/zinc/05/85/25/136058525.db2.gz YBGVMCWNHNMMLR-IVZWLZJFSA-N 0 1 241.285 2.114 20 0 BEADMN Cn1ccnc1[C@H](N[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC000348286178 136058729 /nfs/dbraw/zinc/05/87/29/136058729.db2.gz YBGVMCWNHNMMLR-LPEHRKFASA-N 0 1 241.285 2.114 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000335350861 136068649 /nfs/dbraw/zinc/06/86/49/136068649.db2.gz JKQHBZRLJSVLED-SECBINFHSA-N 0 1 229.283 2.045 20 0 BEADMN CN1CCC[C@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000348471786 136079793 /nfs/dbraw/zinc/07/97/93/136079793.db2.gz ZFZIHQFBTKSZFS-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN Cc1csc(CNC2CC(C)(F)C2)n1 ZINC000335376126 136085474 /nfs/dbraw/zinc/08/54/74/136085474.db2.gz RNWMOHLYOVUGCY-UHFFFAOYSA-N 0 1 214.309 2.432 20 0 BEADMN CC1(F)CC(NCc2cscn2)C1 ZINC000335376005 136085531 /nfs/dbraw/zinc/08/55/31/136085531.db2.gz PRNLRRGGTZGQPH-UHFFFAOYSA-N 0 1 200.282 2.123 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC1(C)C ZINC000335380266 136087456 /nfs/dbraw/zinc/08/74/56/136087456.db2.gz YUYQJKZXQWGFNL-VIFPVBQESA-N 0 1 235.331 2.370 20 0 BEADMN CCn1nncc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335390530 136090563 /nfs/dbraw/zinc/09/05/63/136090563.db2.gz WPWHNIYOAXMJKL-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CC[C@@H]1CN(CC2(C)CCC2)C[C@H](C)[S@]1=O ZINC000348542080 136095534 /nfs/dbraw/zinc/09/55/34/136095534.db2.gz APWVSOGREZSXBU-HWWQOWPSSA-N 0 1 243.416 2.408 20 0 BEADMN CN(C(=O)[C@](C)(N)c1ccccc1)[C@@H]1CC1(C)C ZINC000335563300 136106606 /nfs/dbraw/zinc/10/66/06/136106606.db2.gz NURQVWBFUIIVTL-IUODEOHRSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cnns2)C1 ZINC000335570594 136109510 /nfs/dbraw/zinc/10/95/10/136109510.db2.gz NHTYETDFGXXBCI-IUCAKERBSA-N 0 1 211.334 2.016 20 0 BEADMN c1nnsc1CN1CCC[C@H]1C1CCC1 ZINC000335570599 136109624 /nfs/dbraw/zinc/10/96/24/136109624.db2.gz PPSPSJVZVAAXDR-NSHDSACASA-N 0 1 223.345 2.303 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000335571595 136109684 /nfs/dbraw/zinc/10/96/84/136109684.db2.gz NHQBLZPPAUNKGT-VIFPVBQESA-N 0 1 211.334 2.160 20 0 BEADMN CC[C@H]1CCCN(Cc2cnns2)C1 ZINC000335571595 136109685 /nfs/dbraw/zinc/10/96/85/136109685.db2.gz NHQBLZPPAUNKGT-VIFPVBQESA-N 0 1 211.334 2.160 20 0 BEADMN Cc1nn(C)cc1CN1CC2(C1)CCCCC2 ZINC000335573111 136110316 /nfs/dbraw/zinc/11/03/16/136110316.db2.gz YNLHTOSNOFJZHP-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CC(C)n1cc(CN(C)[C@@H]2CCCOC2)cn1 ZINC000348702003 136116566 /nfs/dbraw/zinc/11/65/66/136116566.db2.gz DKAXHFVAVZOMNZ-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CC(C)c1ncc(CNC(=O)CCC2CC2)[nH]1 ZINC001647824486 1172766037 /nfs/dbraw/zinc/76/60/37/1172766037.db2.gz HFGJSTBWKDFFMH-UHFFFAOYSA-N 0 1 235.331 2.340 20 0 BEADMN CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110352520 397811483 /nfs/dbraw/zinc/81/14/83/397811483.db2.gz ANUUNKRILNVNFQ-CYBMUJFWSA-N 0 1 248.370 2.423 20 0 BEADMN Cc1cc(CC(=O)N[C@@H](C)CCC(C)C)[nH]n1 ZINC000153092391 397739175 /nfs/dbraw/zinc/73/91/75/397739175.db2.gz IQNRHUOTMJHLAZ-JTQLQIEISA-N 0 1 237.347 2.202 20 0 BEADMN Cc1cc(CC(=O)N[C@H](C)CCC(C)C)[nH]n1 ZINC000153092493 397739790 /nfs/dbraw/zinc/73/97/90/397739790.db2.gz IQNRHUOTMJHLAZ-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN CO[C@H](C)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000182204967 397860798 /nfs/dbraw/zinc/86/07/98/397860798.db2.gz FSLMIGYUBKADSQ-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN CCC1(CNC(=O)c2cnccc2N(C)C)CC1 ZINC000183857927 397868240 /nfs/dbraw/zinc/86/82/40/397868240.db2.gz SUPRIJRAXWVKMP-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN CC(C)(C)C1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000265332819 397932141 /nfs/dbraw/zinc/93/21/41/397932141.db2.gz WLYWNMPHKYTSOR-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN COc1ccccc1[C@H](CO)NCC1=CCCC1 ZINC000645851288 397934858 /nfs/dbraw/zinc/93/48/58/397934858.db2.gz IXUTZRYITMZUQW-AWEZNQCLSA-N 0 1 247.338 2.429 20 0 BEADMN COc1ccccc1[C@@H](CO)NCC1=CCCC1 ZINC000645851289 397934875 /nfs/dbraw/zinc/93/48/75/397934875.db2.gz IXUTZRYITMZUQW-CQSZACIVSA-N 0 1 247.338 2.429 20 0 BEADMN C[C@H]1CN(Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC000649545885 397936364 /nfs/dbraw/zinc/93/63/64/397936364.db2.gz WVNIMBPEQWVNGM-TXEJJXNPSA-N 0 1 233.359 2.307 20 0 BEADMN Cc1ncc(C(=O)N2CCC(C(C)C)CC2)[nH]1 ZINC000266559738 397936652 /nfs/dbraw/zinc/93/66/52/397936652.db2.gz PCAJMGHWIVBVMF-UHFFFAOYSA-N 0 1 235.331 2.226 20 0 BEADMN CC[C@@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649550202 397941679 /nfs/dbraw/zinc/94/16/79/397941679.db2.gz FWKLZCFJGAAQOQ-LLVKDONJSA-N 0 1 219.332 2.061 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000650145922 397942987 /nfs/dbraw/zinc/94/29/87/397942987.db2.gz TYKRATJPPQFXQF-RNJOBUHISA-N 0 1 240.391 2.362 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650145922 397942991 /nfs/dbraw/zinc/94/29/91/397942991.db2.gz TYKRATJPPQFXQF-RNJOBUHISA-N 0 1 240.391 2.362 20 0 BEADMN CCOC1CC(N(C)Cc2cnc(CC)nc2)C1 ZINC000414447836 397943726 /nfs/dbraw/zinc/94/37/26/397943726.db2.gz YDHIQMMLPMXZFW-UHFFFAOYSA-N 0 1 249.358 2.038 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)C1=CCCC1 ZINC000650153625 397944478 /nfs/dbraw/zinc/94/44/78/397944478.db2.gz YFKHBVVHANXQNF-UTUOFQBUSA-N 0 1 236.359 2.036 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000650154261 397945925 /nfs/dbraw/zinc/94/59/25/397945925.db2.gz HORUPHAJKBNMIB-LOWDOPEQSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650154261 397945928 /nfs/dbraw/zinc/94/59/28/397945928.db2.gz HORUPHAJKBNMIB-LOWDOPEQSA-N 0 1 240.391 2.362 20 0 BEADMN CSCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000592386141 397948598 /nfs/dbraw/zinc/94/85/98/397948598.db2.gz WLGVITGVTCJOJW-JTQLQIEISA-N 0 1 239.388 2.233 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)CC2(C)C)n1 ZINC000268218221 397950143 /nfs/dbraw/zinc/95/01/43/397950143.db2.gz LQEAWUMWQRCULU-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)CC2(C)C)n1 ZINC000268218221 397950145 /nfs/dbraw/zinc/95/01/45/397950145.db2.gz LQEAWUMWQRCULU-JTQLQIEISA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H](C)C(C)C)n1 ZINC000268225974 397950477 /nfs/dbraw/zinc/95/04/77/397950477.db2.gz NNMOIBFUAXBTFC-SNVBAGLBSA-N 0 1 237.347 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H](C)C(C)C)n1 ZINC000268225974 397950479 /nfs/dbraw/zinc/95/04/79/397950479.db2.gz NNMOIBFUAXBTFC-SNVBAGLBSA-N 0 1 237.347 2.221 20 0 BEADMN CC1CCC(Cn2ccnc2CN)CC1 ZINC000380086570 397955580 /nfs/dbraw/zinc/95/55/80/397955580.db2.gz LSEUQXQEPVACNJ-UHFFFAOYSA-N 0 1 207.321 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCC3)C[C@@H]1C ZINC000649572152 397960101 /nfs/dbraw/zinc/96/01/01/397960101.db2.gz LRVKETDBGQZEBV-NEPJUHHUSA-N 0 1 233.359 2.307 20 0 BEADMN c1c(CN2CC[C@@H](C3CC3)C2)nn2c1CCCC2 ZINC000649571222 397962320 /nfs/dbraw/zinc/96/23/20/397962320.db2.gz CQYDDLWMIAJOCZ-CYBMUJFWSA-N 0 1 245.370 2.451 20 0 BEADMN CO[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000364914502 397919512 /nfs/dbraw/zinc/91/95/12/397919512.db2.gz JJDKLARUFGJFNJ-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000364914502 397919515 /nfs/dbraw/zinc/91/95/15/397919515.db2.gz JJDKLARUFGJFNJ-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(Cc1cc2n(n1)CCC2)CC1CC1 ZINC000649529170 397920735 /nfs/dbraw/zinc/92/07/35/397920735.db2.gz HETPEMLLNSLWCE-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN CCN(Cc1cc2n(n1)CCCC2)CC1CC1 ZINC000649529332 397922971 /nfs/dbraw/zinc/92/29/71/397922971.db2.gz MPMLEOKBOMCXOR-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)ccn1 ZINC000414617235 397990227 /nfs/dbraw/zinc/99/02/27/397990227.db2.gz KXCVTPZGDQSTDG-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN CC[C@@H](NCN1CCC(=O)CC1)c1ccccc1 ZINC000273093457 397991061 /nfs/dbraw/zinc/99/10/61/397991061.db2.gz OFUJEFYIPKYIDV-OAHLLOKOSA-N 0 1 246.354 2.350 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000388702279 397992346 /nfs/dbraw/zinc/99/23/46/397992346.db2.gz OSALQIKCZRQSLJ-GXSJLCMTSA-N 0 1 236.315 2.047 20 0 BEADMN CO[C@H](C)CCc1nc([C@H](N)CC(C)C)no1 ZINC000414620670 397993718 /nfs/dbraw/zinc/99/37/18/397993718.db2.gz QIGKKZUFRFGNGF-NXEZZACHSA-N 0 1 241.335 2.083 20 0 BEADMN C1[C@H](C2CCC2)[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000650227921 397997896 /nfs/dbraw/zinc/99/78/96/397997896.db2.gz OPWWVPMDVGBNOA-OUAUKWLOSA-N 0 1 233.315 2.398 20 0 BEADMN C1[C@H](C2CCC2)[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000650227922 397997992 /nfs/dbraw/zinc/99/79/92/397997992.db2.gz OPWWVPMDVGBNOA-VWYCJHECSA-N 0 1 233.315 2.398 20 0 BEADMN CCC[C@H]1CCCN(Cc2nccn2C)C1 ZINC000121014287 398002068 /nfs/dbraw/zinc/00/20/68/398002068.db2.gz KDZUPCIFFFJSNL-LBPRGKRZSA-N 0 1 221.348 2.432 20 0 BEADMN C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)C(C)(C)C ZINC000372901422 398006963 /nfs/dbraw/zinc/00/69/63/398006963.db2.gz FNRRYXIWMAYQGU-SDDRHHMPSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000054070202 398021518 /nfs/dbraw/zinc/02/15/18/398021518.db2.gz UGUHCLWROJFYSC-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN CC(C)n1ncnc1CN1CCCC[C@@H](C)C1 ZINC000334640278 398022373 /nfs/dbraw/zinc/02/23/73/398022373.db2.gz FOKBWIRFEWLMCF-GFCCVEGCSA-N 0 1 236.363 2.481 20 0 BEADMN CCC(C)(C)NC(=O)CN1CCC12CCCC2 ZINC000649655969 398024417 /nfs/dbraw/zinc/02/44/17/398024417.db2.gz XCRFDMRQGUBSOZ-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN O=C(CN1CCC12CCCC2)NC1CCCC1 ZINC000649655966 398024552 /nfs/dbraw/zinc/02/45/52/398024552.db2.gz WZUMMECAZZIKLD-UHFFFAOYSA-N 0 1 236.359 2.064 20 0 BEADMN c1nc(CN[C@@H]2C[C@@H]2Cc2ccccc2)co1 ZINC000277002879 398025005 /nfs/dbraw/zinc/02/50/05/398025005.db2.gz KDQOSWYQCTZPOU-GXTWGEPZSA-N 0 1 228.295 2.395 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OC(C)C)C2)on1 ZINC000649699444 398048161 /nfs/dbraw/zinc/04/81/61/398048161.db2.gz NDYOVMOSZJSVJS-GFCCVEGCSA-N 0 1 238.331 2.372 20 0 BEADMN CC1=C(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000647148306 398092925 /nfs/dbraw/zinc/09/29/25/398092925.db2.gz LOIBQLNPRMJAHZ-JTQLQIEISA-N 0 1 219.288 2.452 20 0 BEADMN CCN(Cc1ccc(C)c(C)c1)[C@@H]1CCNC1=O ZINC000282255656 398066678 /nfs/dbraw/zinc/06/66/78/398066678.db2.gz GUWKFZDNHNCBDB-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2)[C@H](C)CO1 ZINC000649730470 398068924 /nfs/dbraw/zinc/06/89/24/398068924.db2.gz RVSJZAMAXJQWJU-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(CCOC(C)(C)C)[C@H](C)CO1 ZINC000649731763 398071157 /nfs/dbraw/zinc/07/11/57/398071157.db2.gz MLNUMUDPWNXRAB-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)[C@@H](C)CO1 ZINC000649736098 398077967 /nfs/dbraw/zinc/07/79/67/398077967.db2.gz WKWDKQWKWIGGGA-LOWDOPEQSA-N 0 1 227.348 2.053 20 0 BEADMN CSC1(CNCc2nnc(C)s2)CCC1 ZINC000309073231 398086193 /nfs/dbraw/zinc/08/61/93/398086193.db2.gz HHJXQNNVUHMGMF-UHFFFAOYSA-N 0 1 243.401 2.222 20 0 BEADMN Cc1ncc(CN2CCC[C@H](OC(C)C)C2)cn1 ZINC000649702905 398051344 /nfs/dbraw/zinc/05/13/44/398051344.db2.gz QAUKFPNTKHKKIJ-AWEZNQCLSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000607650560 398052120 /nfs/dbraw/zinc/05/21/20/398052120.db2.gz RWZAFVWMPLYYAB-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCC[C@H](C)C2)n[nH]1 ZINC000607650561 398052361 /nfs/dbraw/zinc/05/23/61/398052361.db2.gz RWZAFVWMPLYYAB-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN CCCCNC(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000035206475 398091997 /nfs/dbraw/zinc/09/19/97/398091997.db2.gz KTWWIRKJGCQJFZ-NEPJUHHUSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1cc(CNCc2cncn2C)c(C)s1 ZINC000309618910 398103951 /nfs/dbraw/zinc/10/39/51/398103951.db2.gz CRZYACRBFJHOPM-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1nccs1 ZINC000148735261 398097914 /nfs/dbraw/zinc/09/79/14/398097914.db2.gz GWYRNIBCJOQLEK-UTLUCORTSA-N 0 1 226.345 2.361 20 0 BEADMN Cn1cc(Cl)c(CNC2(C3CCC3)CC2)n1 ZINC000649811054 398118146 /nfs/dbraw/zinc/11/81/46/398118146.db2.gz DCFDHLYXXKLIDH-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN c1snnc1CNc1cc2c(cn1)CCCC2 ZINC000567007413 398124302 /nfs/dbraw/zinc/12/43/02/398124302.db2.gz DYNDKCRCIHLFFB-UHFFFAOYSA-N 0 1 246.339 2.424 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C2(CCC2)CO1 ZINC000649823825 398125896 /nfs/dbraw/zinc/12/58/96/398125896.db2.gz OPFWSRMLNURTLC-OLZOCXBDSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCSC[C@@H]1C ZINC000294656723 398129663 /nfs/dbraw/zinc/12/96/63/398129663.db2.gz BUWPWODTKZXZAK-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN Cc1cnccc1CN1CCSC[C@@H]1C ZINC000294656723 398129668 /nfs/dbraw/zinc/12/96/68/398129668.db2.gz BUWPWODTKZXZAK-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000294656963 398130117 /nfs/dbraw/zinc/13/01/17/398130117.db2.gz ABAUTNNLGNAAHK-CYBMUJFWSA-N 0 1 248.305 2.282 20 0 BEADMN C[C@@]1(F)CCCN(Cc2c[nH]c3nccnc23)C1 ZINC000294656963 398130119 /nfs/dbraw/zinc/13/01/19/398130119.db2.gz ABAUTNNLGNAAHK-CYBMUJFWSA-N 0 1 248.305 2.282 20 0 BEADMN Cc1nc([C@H](C)NCC2=CCOCC2)cs1 ZINC000397853129 398123520 /nfs/dbraw/zinc/12/35/20/398123520.db2.gz BDCLNDCEAZPPMX-VIFPVBQESA-N 0 1 238.356 2.449 20 0 BEADMN CC(C)N(CC[C@@H](O)c1ccccc1)C1COC1 ZINC000295520043 398134640 /nfs/dbraw/zinc/13/46/40/398134640.db2.gz UPUTVWQGACHYTN-OAHLLOKOSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H](NCCc1ccccc1)c1csnn1 ZINC000398268664 322868475 /nfs/dbraw/zinc/86/84/75/322868475.db2.gz FZAWNZHIMIAIQX-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@@H]1C[C@@H]1C ZINC000085494758 1172824442 /nfs/dbraw/zinc/82/44/42/1172824442.db2.gz SWCILJVUAZOETN-DCAQKATOSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)NCc1nc(-c2ccsc2)no1 ZINC000037394777 167120939 /nfs/dbraw/zinc/12/09/39/167120939.db2.gz PNXHXWAMLLBDTO-UHFFFAOYSA-N 0 1 223.301 2.296 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000300947940 487558549 /nfs/dbraw/zinc/55/85/49/487558549.db2.gz PKHWWQLGKMWETI-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN CN1CC[C@H](NCC(F)F)[C@@H]1c1ccccc1 ZINC000685582117 487558243 /nfs/dbraw/zinc/55/82/43/487558243.db2.gz TVFQODIUXXAQNC-AAEUAGOBSA-N 0 1 240.297 2.287 20 0 BEADMN CCOC1CC(N(C)Cc2oc(C)nc2C)C1 ZINC000685585330 487559360 /nfs/dbraw/zinc/55/93/60/487559360.db2.gz RFYNICSLOGFOKL-UHFFFAOYSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1nc[nH]c1C(=O)N1c2ccccc2C[C@H]1C ZINC000074673064 487564024 /nfs/dbraw/zinc/56/40/24/487564024.db2.gz VAYLWBVXGGXEMY-SECBINFHSA-N 0 1 241.294 2.310 20 0 BEADMN Cc1[nH]ncc1CN(C)c1cccc(O)c1 ZINC000668802847 487566186 /nfs/dbraw/zinc/56/61/86/487566186.db2.gz ALWSCLYCWAPGRN-UHFFFAOYSA-N 0 1 217.272 2.060 20 0 BEADMN Cn1cncc1CN1CCCc2sccc2C1 ZINC000674369803 487566959 /nfs/dbraw/zinc/56/69/59/487566959.db2.gz JDXTUAVHYXZCAW-UHFFFAOYSA-N 0 1 247.367 2.430 20 0 BEADMN COC[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccco1 ZINC000680341899 487569398 /nfs/dbraw/zinc/56/93/98/487569398.db2.gz GWDHMXKAHGKHQC-SDDRHHMPSA-N 0 1 239.315 2.124 20 0 BEADMN Clc1ccc(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000225423654 487572801 /nfs/dbraw/zinc/57/28/01/487572801.db2.gz CFOOMHVPCGZXIF-LURJTMIESA-N 0 1 239.662 2.408 20 0 BEADMN Cc1ccsc1[C@@H](CO)NCc1ccccn1 ZINC000674418026 487573109 /nfs/dbraw/zinc/57/31/09/487573109.db2.gz DXRXHAYTDNTIOG-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN CC(C)OCCCN(C)Cc1ccc(F)cn1 ZINC000276348125 167208270 /nfs/dbraw/zinc/20/82/70/167208270.db2.gz JYRHZCPTMQISFE-UHFFFAOYSA-N 0 1 240.322 2.468 20 0 BEADMN CC(C)OCCCN(C)[C@H](C)c1cnccn1 ZINC000274330827 167214249 /nfs/dbraw/zinc/21/42/49/167214249.db2.gz LGDWKONVYOGDOC-GFCCVEGCSA-N 0 1 237.347 2.285 20 0 BEADMN CCn1ccc(CNCCC(C)(F)F)n1 ZINC001651139190 1172927122 /nfs/dbraw/zinc/92/71/22/1172927122.db2.gz UFNUUPJPEYUSIZ-UHFFFAOYSA-N 0 1 217.263 2.038 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000228075345 487582823 /nfs/dbraw/zinc/58/28/23/487582823.db2.gz ADWRKTSXQWBLNP-WCQYABFASA-N 0 1 234.343 2.300 20 0 BEADMN CC(C)OCCN[C@H](C)c1ccc(F)cn1 ZINC000134092592 167244361 /nfs/dbraw/zinc/24/43/61/167244361.db2.gz AJMRKMFFSUPMOE-SNVBAGLBSA-N 0 1 226.295 2.296 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CCC(C)(C)C1CC1 ZINC000406075563 487586040 /nfs/dbraw/zinc/58/60/40/487586040.db2.gz UPWYKQWXJJHQKA-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])[C@@H](c1ccccc1)[N@@H+]1CC=CCC1 ZINC000238668377 487591530 /nfs/dbraw/zinc/59/15/30/487591530.db2.gz UMMHZAKLEVJDBL-GFCCVEGCSA-N 0 1 217.268 2.074 20 0 BEADMN CC(C)O[C@H]1C[C@H](NCc2ncc[nH]2)C1(C)C ZINC000361901227 167282594 /nfs/dbraw/zinc/28/25/94/167282594.db2.gz QVZDIBZVRIUFNT-QWRGUYRKSA-N 0 1 237.347 2.091 20 0 BEADMN Fc1ccc(CNC/C=C/Cl)cn1 ZINC001651651541 1172969051 /nfs/dbraw/zinc/96/90/51/1172969051.db2.gz QRAALLOWAJUWER-DAFODLJHSA-N 0 1 200.644 2.063 20 0 BEADMN CCCCN(CC)C(=O)c1ccc(CN)o1 ZINC000087045506 487599950 /nfs/dbraw/zinc/59/99/50/487599950.db2.gz UIDOOIHMTGTTMH-UHFFFAOYSA-N 0 1 224.304 2.001 20 0 BEADMN c1cc(CNCCCc2ccsc2)no1 ZINC001651698360 1172976223 /nfs/dbraw/zinc/97/62/23/1172976223.db2.gz WLYKUYKPXXCFRI-UHFFFAOYSA-N 0 1 222.313 2.459 20 0 BEADMN CC(C)S(=O)(=O)CCCN1[C@H](C)CC[C@@H]1C ZINC000122223416 167318153 /nfs/dbraw/zinc/31/81/53/167318153.db2.gz GULSFVMFGQWVNR-TXEJJXNPSA-N 0 1 247.404 2.073 20 0 BEADMN CC(C)SCCN1CCOC2(CCC2)C1 ZINC000374906584 167326974 /nfs/dbraw/zinc/32/69/74/167326974.db2.gz AZZKLLLUFPDFQJ-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN Cc1cccnc1CN(C)CC1=CCSC1 ZINC000662263323 409555958 /nfs/dbraw/zinc/55/59/58/409555958.db2.gz JOVHWWNQGMHESA-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)C[C@@H]1CC1(C)C ZINC000662343493 409657833 /nfs/dbraw/zinc/65/78/33/409657833.db2.gz KCYSMPORXPEVRP-UWVGGRQHSA-N 0 1 234.347 2.098 20 0 BEADMN CN(CCCCO)Cc1cc(F)ccc1F ZINC000259101069 409733070 /nfs/dbraw/zinc/73/30/70/409733070.db2.gz UNNMFAYQEZNFFU-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000655288333 409803819 /nfs/dbraw/zinc/80/38/19/409803819.db2.gz PEMPRBZYMYRLOC-CMPLNLGQSA-N 0 1 247.342 2.063 20 0 BEADMN CC(C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000128069846 409905259 /nfs/dbraw/zinc/90/52/59/409905259.db2.gz JGOYBZURCOFFGD-UHFFFAOYSA-N 0 1 234.259 2.049 20 0 BEADMN CN(C)CC(=O)N1CCC[C@H]1CC1CCCC1 ZINC000655365139 409957292 /nfs/dbraw/zinc/95/72/92/409957292.db2.gz ZRWBKUNYUGPGRB-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000308947360 409967391 /nfs/dbraw/zinc/96/73/91/409967391.db2.gz VHFIBISLNZXCOD-QWRGUYRKSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1ccc(Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000071396645 409971127 /nfs/dbraw/zinc/97/11/27/409971127.db2.gz XCSBTWOKENPEHP-GFCCVEGCSA-N 0 1 243.310 2.393 20 0 BEADMN Nc1ccc(CN2CCc3ccccc3C2)cn1 ZINC000050792718 409932819 /nfs/dbraw/zinc/93/28/19/409932819.db2.gz NFJKUTAEMYVUGK-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN c1cn2c(n1)[C@H](NCCOCC1CCCC1)CC2 ZINC000313310784 410035965 /nfs/dbraw/zinc/03/59/65/410035965.db2.gz WTBWWDZVHBHHRE-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CNCCOCCF)o1 ZINC000663340582 410147945 /nfs/dbraw/zinc/14/79/45/410147945.db2.gz QLCVQVHJVNNBPG-CMPLNLGQSA-N 0 1 241.306 2.479 20 0 BEADMN CC(C)CN1N=C(c2ccccc2)CC1=O ZINC000101836928 410137676 /nfs/dbraw/zinc/13/76/76/410137676.db2.gz BRQBTCGABPMDPJ-UHFFFAOYSA-N 0 1 216.284 2.279 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cnccc1N ZINC000653201526 410161830 /nfs/dbraw/zinc/16/18/30/410161830.db2.gz NPPNKTPBOZXSTB-JOYOIKCWSA-N 0 1 247.342 2.049 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCCCCF ZINC000309139799 410260191 /nfs/dbraw/zinc/26/01/91/410260191.db2.gz VGUUJKNVISKGCI-NSHDSACASA-N 0 1 231.311 2.455 20 0 BEADMN CC[C@H](C)N(CC)Cc1snnc1C ZINC000661104276 410230907 /nfs/dbraw/zinc/23/09/07/410230907.db2.gz KJIOYSCBEXTIBP-QMMMGPOBSA-N 0 1 213.350 2.467 20 0 BEADMN CC[C@@H](C)N(CC)Cc1snnc1C ZINC000661104271 410231076 /nfs/dbraw/zinc/23/10/76/410231076.db2.gz KJIOYSCBEXTIBP-MRVPVSSYSA-N 0 1 213.350 2.467 20 0 BEADMN Cc1ccc(N[C@H](C)c2n[nH]c(C(C)C)n2)nn1 ZINC000663753985 410323504 /nfs/dbraw/zinc/32/35/04/410323504.db2.gz KMUKPFGJLZRDLS-SECBINFHSA-N 0 1 246.318 2.200 20 0 BEADMN C[C@@]1(C2CC2)CN(CCc2cccnc2)CCO1 ZINC000661166471 410314072 /nfs/dbraw/zinc/31/40/72/410314072.db2.gz AZLRVMSSUXLAHC-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C[C@@H]1C ZINC000130290692 410397425 /nfs/dbraw/zinc/39/74/25/410397425.db2.gz NZCBHDVYUPAZEW-ZJUUUORDSA-N 0 1 237.299 2.456 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2cccnc2o1 ZINC000650805500 410511051 /nfs/dbraw/zinc/51/10/51/410511051.db2.gz BUHOTSWZYSAKBX-NSHDSACASA-N 0 1 248.282 2.123 20 0 BEADMN CC(C)CCN(C)C(=O)c1cnccc1N(C)C ZINC000680574911 487616513 /nfs/dbraw/zinc/61/65/13/487616513.db2.gz GFWOPDATYIUXOU-UHFFFAOYSA-N 0 1 249.358 2.266 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1CCC2 ZINC000650806125 410515033 /nfs/dbraw/zinc/51/50/33/410515033.db2.gz RCBLTKKZGJRJQS-AWEZNQCLSA-N 0 1 247.338 2.470 20 0 BEADMN Fc1cnc(NCc2ccc3nc[nH]c3c2)nc1 ZINC001652042156 1173027789 /nfs/dbraw/zinc/02/77/89/1173027789.db2.gz YABQTYZJQJICOH-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN CCN(CC)CC(=O)N(C)c1cccc(C)c1 ZINC000263894071 169763034 /nfs/dbraw/zinc/76/30/34/169763034.db2.gz VVQKGKVIKKYRKA-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](CCCCF)C1 ZINC000309243329 410634053 /nfs/dbraw/zinc/63/40/53/410634053.db2.gz XLNHFOUVRKDOSM-LLVKDONJSA-N 0 1 231.311 2.313 20 0 BEADMN C[C@@H]1CN(CCCCCF)C[C@@H](C)C1=O ZINC000661537357 410736960 /nfs/dbraw/zinc/73/69/60/410736960.db2.gz AAZPHPWWOGDCPM-GHMZBOCLSA-N 0 1 215.312 2.283 20 0 BEADMN CN[C@@H](C)c1cn(CC2CCC(C)CC2)nn1 ZINC000393838695 410761276 /nfs/dbraw/zinc/76/12/76/410761276.db2.gz SPTNOJHKJFDATD-CXQJBGSLSA-N 0 1 236.363 2.385 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000665288559 410774173 /nfs/dbraw/zinc/77/41/73/410774173.db2.gz QKPSXHHQSRERNG-LLVKDONJSA-N 0 1 237.372 2.469 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651072209 410780805 /nfs/dbraw/zinc/78/08/05/410780805.db2.gz JQKCCZGLNLOTCJ-STQMWFEESA-N 0 1 247.342 2.161 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651072207 410781005 /nfs/dbraw/zinc/78/10/05/410781005.db2.gz JQKCCZGLNLOTCJ-OLZOCXBDSA-N 0 1 247.342 2.161 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](C)N(C)C ZINC000651005416 410750504 /nfs/dbraw/zinc/75/05/04/410750504.db2.gz XMRINLKFWVPFGL-YNEHKIRRSA-N 0 1 240.391 2.269 20 0 BEADMN CC1=NN(Cc2ccc(C)cc2)C(=O)[C@H]1C ZINC000103294694 410887896 /nfs/dbraw/zinc/88/78/96/410887896.db2.gz BQHMLSYBRSUTBD-JTQLQIEISA-N 0 1 216.284 2.349 20 0 BEADMN Cc1[nH]n(Cc2ccc(C)cc2)c(=O)c1C ZINC000103294694 410887901 /nfs/dbraw/zinc/88/79/01/410887901.db2.gz BQHMLSYBRSUTBD-JTQLQIEISA-N 0 1 216.284 2.349 20 0 BEADMN CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C ZINC000103294591 410888527 /nfs/dbraw/zinc/88/85/27/410888527.db2.gz PUDBHVVROOMYIV-SECBINFHSA-N 0 1 202.257 2.041 20 0 BEADMN Cc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000103294591 410888532 /nfs/dbraw/zinc/88/85/32/410888532.db2.gz PUDBHVVROOMYIV-SECBINFHSA-N 0 1 202.257 2.041 20 0 BEADMN CC(C)NC(=O)CN1CCc2ccccc2[C@@H]1C ZINC000170954631 167054126 /nfs/dbraw/zinc/05/41/26/167054126.db2.gz VVGGIFNXYBJGSA-LBPRGKRZSA-N 0 1 246.354 2.130 20 0 BEADMN CC(C)N[C@H](C)c1ncc(Br)cn1 ZINC000306517645 167138462 /nfs/dbraw/zinc/13/84/62/167138462.db2.gz HRHDASPIKUKMRL-SSDOTTSWSA-N 0 1 244.136 2.298 20 0 BEADMN CC(C)OCCCN(C)Cc1cncs1 ZINC000271191729 167209687 /nfs/dbraw/zinc/20/96/87/167209687.db2.gz MASOMJBWCZAMLW-UHFFFAOYSA-N 0 1 228.361 2.390 20 0 BEADMN CC(C)OCCN1CCOC[C@@H]1CC1CCC1 ZINC000339776196 167234131 /nfs/dbraw/zinc/23/41/31/167234131.db2.gz LJPUWSLJNYSOCI-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)OCCNCc1c(F)cccc1F ZINC000134125056 167240848 /nfs/dbraw/zinc/24/08/48/167240848.db2.gz BOBXBAJGRZVTNL-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN CC(C)OC[C@@H](C)NCc1ccc(F)cn1 ZINC000309550206 167257408 /nfs/dbraw/zinc/25/74/08/167257408.db2.gz HYTFCBXRVCRMNP-SNVBAGLBSA-N 0 1 226.295 2.124 20 0 BEADMN CC(C)OC[C@@H](C)Nc1ccc2nn[nH]c2c1 ZINC000337307578 167259933 /nfs/dbraw/zinc/25/99/33/167259933.db2.gz SNZNJDVWWXUICK-SECBINFHSA-N 0 1 234.303 2.183 20 0 BEADMN CC(C)OC[C@@H](C)Nc1ccc2n[nH]nc2c1 ZINC000337307578 167259937 /nfs/dbraw/zinc/25/99/37/167259937.db2.gz SNZNJDVWWXUICK-SECBINFHSA-N 0 1 234.303 2.183 20 0 BEADMN CC(C)Oc1ccccc1CN1CCC(O)CC1 ZINC000055898746 167309483 /nfs/dbraw/zinc/30/94/83/167309483.db2.gz BCQHCTXRBBEOCC-UHFFFAOYSA-N 0 1 249.354 2.431 20 0 BEADMN CC(C)SCCNCc1cscn1 ZINC000290144990 167332823 /nfs/dbraw/zinc/33/28/23/167332823.db2.gz OKGANVMJSUEDDS-UHFFFAOYSA-N 0 1 216.375 2.374 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268173125 167366084 /nfs/dbraw/zinc/36/60/84/167366084.db2.gz TXNHOYNPBWGBSD-GHMZBOCLSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)c1ccc(CN)o1 ZINC000398090849 410942662 /nfs/dbraw/zinc/94/26/62/410942662.db2.gz OCMOZVDUUJMZAO-SECBINFHSA-N 0 1 236.315 2.047 20 0 BEADMN CC(C)c1cc(NCC2(C)CC2)nc(N(C)C)n1 ZINC000359025755 167555853 /nfs/dbraw/zinc/55/58/53/167555853.db2.gz DBOLNRQHXGTYTF-UHFFFAOYSA-N 0 1 248.374 2.300 20 0 BEADMN CC(C)C[C@H](C)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000300876724 411127836 /nfs/dbraw/zinc/12/78/36/411127836.db2.gz QTYLKSLATQHZBE-NSHDSACASA-N 0 1 227.348 2.465 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC12CCC2 ZINC000334481600 411128159 /nfs/dbraw/zinc/12/81/59/411128159.db2.gz WRRPNVRSSDODIG-UHFFFAOYSA-N 0 1 235.258 2.300 20 0 BEADMN COc1cc(OC)c(CN(C)C2CC2)cc1F ZINC000651614757 411130741 /nfs/dbraw/zinc/13/07/41/411130741.db2.gz USKKCVONBQWQEM-UHFFFAOYSA-N 0 1 239.290 2.437 20 0 BEADMN Fc1ccc(CN[C@@H]2COC3(CCC3)C2)nc1 ZINC000657911256 411164848 /nfs/dbraw/zinc/16/48/48/411164848.db2.gz XINCBNYYFVROBS-LBPRGKRZSA-N 0 1 236.290 2.022 20 0 BEADMN CC/C=C\CNCc1cnnn1-c1ccccc1 ZINC000651821717 411145896 /nfs/dbraw/zinc/14/58/96/411145896.db2.gz WEBKIAGBRZBDFX-CLTKARDFSA-N 0 1 242.326 2.323 20 0 BEADMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc2cnccc2o1 ZINC000651833754 411147149 /nfs/dbraw/zinc/14/71/49/411147149.db2.gz NVVQBIOVZFPKQG-PWSUYJOCSA-N 0 1 246.310 2.173 20 0 BEADMN Cc1nocc1CN1CCC[C@H](OC(C)C)C1 ZINC000651897708 411149549 /nfs/dbraw/zinc/14/95/49/411149549.db2.gz IKKKIINZEUODHG-ZDUSSCGKSA-N 0 1 238.331 2.372 20 0 BEADMN CC[C@@H]1CN(Cc2cccn2C)[C@H](CC)CO1 ZINC000651912245 411150306 /nfs/dbraw/zinc/15/03/06/411150306.db2.gz QGFKVNFPEHQQEI-TZMCWYRMSA-N 0 1 236.359 2.415 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H](C)[C@H](C)C2)[nH]1 ZINC000659972447 411151416 /nfs/dbraw/zinc/15/14/16/411151416.db2.gz VFHGNXWNVYCPLZ-BBBLOLIVSA-N 0 1 222.336 2.016 20 0 BEADMN CCN(Cc1ccccn1)[C@@H]1COC(C)(C)C1 ZINC000660000114 411164918 /nfs/dbraw/zinc/16/49/18/411164918.db2.gz NILAVKGUJLOHQF-ZDUSSCGKSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000300743422 411126074 /nfs/dbraw/zinc/12/60/74/411126074.db2.gz IZDBHTDPDAOSNW-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000401010554 411171171 /nfs/dbraw/zinc/17/11/71/411171171.db2.gz AHFXUOJVWLYVTB-GFCCVEGCSA-N 0 1 223.316 2.426 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC1=CCCC1 ZINC000401141134 411178327 /nfs/dbraw/zinc/17/83/27/411178327.db2.gz YPFXZTOIOBBNMW-XQQFMLRXSA-N 0 1 235.327 2.282 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC1=CCCC1 ZINC000401141133 411178563 /nfs/dbraw/zinc/17/85/63/411178563.db2.gz YPFXZTOIOBBNMW-UPJWGTAASA-N 0 1 235.327 2.282 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC(C2CC2)CC1 ZINC000653694540 411186039 /nfs/dbraw/zinc/18/60/39/411186039.db2.gz ILOUGXKITJOUCZ-SNVBAGLBSA-N 0 1 246.358 2.242 20 0 BEADMN O[C@@H](CC1CCCC1)CN1CC2(CC2(F)F)C1 ZINC000656154590 411188522 /nfs/dbraw/zinc/18/85/22/411188522.db2.gz OAUGSKHWIPUYPH-NSHDSACASA-N 0 1 245.313 2.269 20 0 BEADMN CCNCc1cn(CCC2CCCCC2)nn1 ZINC000393931700 411244473 /nfs/dbraw/zinc/24/44/73/411244473.db2.gz KFODGAWHLGXLMY-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN COC[C@@H]1CCN1CCc1noc2ccccc21 ZINC000653702668 411194525 /nfs/dbraw/zinc/19/45/25/411194525.db2.gz ISWTYEVPKUHXMI-NSHDSACASA-N 0 1 246.310 2.091 20 0 BEADMN C[C@H](NCCF)c1cc2cnccc2o1 ZINC000658003345 411195009 /nfs/dbraw/zinc/19/50/09/411195009.db2.gz MHSYSPUFKIMZSG-QMMMGPOBSA-N 0 1 208.236 2.448 20 0 BEADMN C[C@@H](N[C@@H](CO)CCF)c1cc(F)ccc1F ZINC000652306543 411196321 /nfs/dbraw/zinc/19/63/21/411196321.db2.gz XRISXIAPSKXCMS-PSASIEDQSA-N 0 1 247.260 2.336 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC=CCC1 ZINC000402133667 411197593 /nfs/dbraw/zinc/19/75/93/411197593.db2.gz FMPGUDGMDDWCCX-QWRGUYRKSA-N 0 1 211.305 2.138 20 0 BEADMN CNC(C)(C)c1cn(C2CCCCC2)nn1 ZINC000656437657 411248371 /nfs/dbraw/zinc/24/83/71/411248371.db2.gz CIIZGTAOTHHQAH-UHFFFAOYSA-N 0 1 222.336 2.238 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@H]1C[C@@H](C)n2ncnc21 ZINC000658101248 411246268 /nfs/dbraw/zinc/24/62/68/411246268.db2.gz JRZLZHJCEIOKLU-ZNSHCXBVSA-N 0 1 220.320 2.062 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000652366717 411218332 /nfs/dbraw/zinc/21/83/32/411218332.db2.gz LDWCZPAFZBMZBA-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@@H](C)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903090 411218716 /nfs/dbraw/zinc/21/87/16/411218716.db2.gz DLYYAPXRDCFETR-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)CCC[C@H](CN2CCn3nncc3C2)C1 ZINC000656267314 411221898 /nfs/dbraw/zinc/22/18/98/411221898.db2.gz FRPKBRSLOANWHP-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN COCc1cc(CNC2(C)CC=CC2)no1 ZINC000656267860 411222667 /nfs/dbraw/zinc/22/26/67/411222667.db2.gz LRINUWCHPNYMQT-UHFFFAOYSA-N 0 1 222.288 2.019 20 0 BEADMN COC[C@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000656274383 411224056 /nfs/dbraw/zinc/22/40/56/411224056.db2.gz AGOMRLREJXMEHU-LLVKDONJSA-N 0 1 235.327 2.293 20 0 BEADMN CNC(C)(C)c1cn(Cc2ccccc2C)nn1 ZINC000656435361 411247091 /nfs/dbraw/zinc/24/70/91/411247091.db2.gz PNFOWWNHFFKFQY-UHFFFAOYSA-N 0 1 244.342 2.089 20 0 BEADMN CCc1ncc(CN(C[C@@H](C)O)C2CC2)s1 ZINC000656277544 411227505 /nfs/dbraw/zinc/22/75/05/411227505.db2.gz CEQUFEXIJGVGBH-SECBINFHSA-N 0 1 240.372 2.051 20 0 BEADMN CC[C@H](C)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000050426986 411261346 /nfs/dbraw/zinc/26/13/46/411261346.db2.gz JKNHYRZQEVHGAA-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000659787939 411274763 /nfs/dbraw/zinc/27/47/63/411274763.db2.gz HPPGEDIXXAXHSN-VHSXEESVSA-N 0 1 249.301 2.464 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H](C)c2cc3n(n2)CCC3)C1 ZINC000658162291 411274956 /nfs/dbraw/zinc/27/49/56/411274956.db2.gz RYQINSHBJPFNCH-GVXVVHGQSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccco1 ZINC000658164741 411276936 /nfs/dbraw/zinc/27/69/36/411276936.db2.gz GXGGSFHKSXTLRJ-SCZZXKLOSA-N 0 1 231.242 2.354 20 0 BEADMN CCN(CC(=O)N1CCC12CCCC2)C1CC1 ZINC000652572325 411277776 /nfs/dbraw/zinc/27/77/76/411277776.db2.gz GAZPVIRYEFSSFR-UHFFFAOYSA-N 0 1 236.359 2.016 20 0 BEADMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1nccs1 ZINC000658167593 411278316 /nfs/dbraw/zinc/27/83/16/411278316.db2.gz FCWHEKJLPGDSBE-HTQZYQBOSA-N 0 1 248.298 2.218 20 0 BEADMN CCn1cc(CN[C@H]2CCC23CCCC3)nn1 ZINC000658176059 411282770 /nfs/dbraw/zinc/28/27/70/411282770.db2.gz KOEFMQWHYMEYEU-LBPRGKRZSA-N 0 1 234.347 2.110 20 0 BEADMN CO[C@H](C)Cc1nc(=O)c2sc(C)cc2[nH]1 ZINC000656491593 411285474 /nfs/dbraw/zinc/28/54/74/411285474.db2.gz PSAGMTCCYZRNAP-ZCFIWIBFSA-N 0 1 238.312 2.283 20 0 BEADMN Cn1ccc(CN2CC(CC(F)(F)F)C2)c1 ZINC000656688861 411328784 /nfs/dbraw/zinc/32/87/84/411328784.db2.gz YAJBMPLKMUYKCO-UHFFFAOYSA-N 0 1 232.249 2.409 20 0 BEADMN CNCc1cn(CC2CCC(C)(C)CC2)nn1 ZINC000383563783 411292309 /nfs/dbraw/zinc/29/23/09/411292309.db2.gz FJINUFMUFDIIFX-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN CCNCc1cn(C[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000383729889 411293090 /nfs/dbraw/zinc/29/30/90/411293090.db2.gz WQVKKUKKKGTDAE-VXGBXAGGSA-N 0 1 236.363 2.214 20 0 BEADMN C[N@@H+](CCc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802416 411293889 /nfs/dbraw/zinc/29/38/89/411293889.db2.gz UHNQBLDPKZCWFJ-BETUJISGSA-N 0 1 233.311 2.024 20 0 BEADMN COc1ccnc(CN[C@@H]2C[C@H](C)[C@H]2C)c1F ZINC000658220962 411300552 /nfs/dbraw/zinc/30/05/52/411300552.db2.gz BZYXDUQHUZMADJ-IVZWLZJFSA-N 0 1 238.306 2.363 20 0 BEADMN C[C@H](Cc1ccco1)c1nc([C@@H]2CCCN2)no1 ZINC000656561432 411301179 /nfs/dbraw/zinc/30/11/79/411301179.db2.gz VGMQRYJREURJPK-KOLCDFICSA-N 0 1 247.298 2.433 20 0 BEADMN Cc1ccoc1Cc1nc(C2(N)CCCC2)no1 ZINC000656561162 411301310 /nfs/dbraw/zinc/30/13/10/411301310.db2.gz RMKGKHSHURAMLQ-UHFFFAOYSA-N 0 1 247.298 2.290 20 0 BEADMN CCC/C=C/c1nc([C@H]2CCCN2)no1 ZINC000656560540 411304625 /nfs/dbraw/zinc/30/46/25/411304625.db2.gz APKZFUMNRIMAIB-ILFKPUCNSA-N 0 1 207.277 2.307 20 0 BEADMN COC1(C)CN(C[C@@H]2CCOc3ccccc32)C1 ZINC000656622481 411310984 /nfs/dbraw/zinc/31/09/84/411310984.db2.gz FZQBVGMXZPXOLQ-LBPRGKRZSA-N 0 1 247.338 2.273 20 0 BEADMN c1cc(CN2CC(C3CC3)C2)nc2c1CCC2 ZINC000656630278 411311563 /nfs/dbraw/zinc/31/15/63/411311563.db2.gz MPPDXJWWHOYETB-UHFFFAOYSA-N 0 1 228.339 2.412 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000115739720 411312205 /nfs/dbraw/zinc/31/22/05/411312205.db2.gz WHSFFWOFTHUWPA-YPMHNXCESA-N 0 1 233.311 2.229 20 0 BEADMN Cc1ccccc1CC1CN(Cc2cn[nH]c2)C1 ZINC000656648921 411315364 /nfs/dbraw/zinc/31/53/64/411315364.db2.gz UCUGDTZULCBRGJ-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN C[C@H](NC[C@@H](CO)CC1CC1)c1cscn1 ZINC000658253012 411315564 /nfs/dbraw/zinc/31/55/64/411315564.db2.gz MRRUQKIOTHTNDC-ONGXEEELSA-N 0 1 240.372 2.202 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](CO)CC2CC2)no1 ZINC000658254212 411316033 /nfs/dbraw/zinc/31/60/33/411316033.db2.gz QEVQZCKIHSKCKY-JQWIXIFHSA-N 0 1 238.331 2.042 20 0 BEADMN Cc1n[nH]cc1CN1CC(Cc2ccccc2)C1 ZINC000656651713 411316586 /nfs/dbraw/zinc/31/65/86/411316586.db2.gz DAERFLSHRLFJGW-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN c1n[nH]cc1CN1CC2(C1)CCCCC2 ZINC000656658969 411318600 /nfs/dbraw/zinc/31/86/00/411318600.db2.gz HPSNJLDKGOWRQG-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000661852884 411319275 /nfs/dbraw/zinc/31/92/75/411319275.db2.gz KTQDDZCBLSKIDU-ZJUUUORDSA-N 0 1 238.331 2.291 20 0 BEADMN CCC[C@@H](CN[C@@H]1CCCn2ccnc21)OC ZINC000655772567 411254526 /nfs/dbraw/zinc/25/45/26/411254526.db2.gz YVSSXFKRYMOQOG-NWDGAFQWSA-N 0 1 237.347 2.123 20 0 BEADMN CCOc1ccccc1[C@@H](C)NC/C=C\CO ZINC000658132572 411255857 /nfs/dbraw/zinc/25/58/57/411255857.db2.gz IRWNDHXABSAJRG-ZHRWSRJISA-N 0 1 235.327 2.284 20 0 BEADMN CC[C@@H](C)[N@@H+](CCCOC(C)(C)C)CC(=O)[O-] ZINC000652491855 411258003 /nfs/dbraw/zinc/25/80/03/411258003.db2.gz NCIHCNRKLHPUFA-LLVKDONJSA-N 0 1 245.363 2.377 20 0 BEADMN CC(C)[C@@H](NC/C=C/CO)c1ccc(F)cn1 ZINC000658133858 411258165 /nfs/dbraw/zinc/25/81/65/411258165.db2.gz GTAVNCVIAMVTCT-ITDFMYJTSA-N 0 1 238.306 2.056 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@H]1CCC(F)(F)C1 ZINC000660142996 411258396 /nfs/dbraw/zinc/25/83/96/411258396.db2.gz OBENLJGVSPCWOR-VIFPVBQESA-N 0 1 229.274 2.277 20 0 BEADMN C[C@@H](NCc1cc(C2CC2)no1)[C@@H]1CCCO1 ZINC000660265497 411352028 /nfs/dbraw/zinc/35/20/28/411352028.db2.gz ZBSJAWKLRQZNFC-RNCFNFMXSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](CCCC(=O)[O-])CC2 ZINC000656758957 411352743 /nfs/dbraw/zinc/35/27/43/411352743.db2.gz QZFRRXWEBGEEPE-UHFFFAOYSA-N 0 1 233.311 2.218 20 0 BEADMN CC[N@@H+](CCCC1CCC1)CCC(=O)[O-] ZINC000656758085 411352767 /nfs/dbraw/zinc/35/27/67/411352767.db2.gz YXTZZQZSDSMZJD-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C)cc2C1 ZINC000656758897 411353665 /nfs/dbraw/zinc/35/36/65/411353665.db2.gz PEDYYTJLNBOLOZ-ZDUSSCGKSA-N 0 1 233.311 2.216 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1 ZINC000656760052 411355470 /nfs/dbraw/zinc/35/54/70/411355470.db2.gz OZSAAYMYVGUPJL-UHFFFAOYSA-N 0 1 245.322 2.352 20 0 BEADMN FC(F)(F)CCCNCc1ccon1 ZINC000123644823 411355654 /nfs/dbraw/zinc/35/56/54/411355654.db2.gz MYKLCPHRUPEXJF-UHFFFAOYSA-N 0 1 208.183 2.107 20 0 BEADMN CC(=O)c1cccc(CN2CCC3(COC3)C2)c1 ZINC000662074057 411356687 /nfs/dbraw/zinc/35/66/87/411356687.db2.gz PCWPHAAXBYPIDJ-UHFFFAOYSA-N 0 1 245.322 2.112 20 0 BEADMN CCn1ccnc1NCc1c(C2CC2)cnn1C ZINC000656776742 411357287 /nfs/dbraw/zinc/35/72/87/411357287.db2.gz XAZFPSOIVHMRSL-UHFFFAOYSA-N 0 1 245.330 2.126 20 0 BEADMN CCc1nnc(SCCc2ccncc2)[nH]1 ZINC000658792315 411361105 /nfs/dbraw/zinc/36/11/05/411361105.db2.gz WKNDVRSCYILDHG-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN CCc1n[nH]c(SCCc2ccncc2)n1 ZINC000658792315 411361107 /nfs/dbraw/zinc/36/11/07/411361107.db2.gz WKNDVRSCYILDHG-UHFFFAOYSA-N 0 1 234.328 2.097 20 0 BEADMN c1cc(CN2CCC[C@@H](c3ccccn3)C2)on1 ZINC000660628674 411361193 /nfs/dbraw/zinc/36/11/93/411361193.db2.gz VOORJZHIFRACJX-GFCCVEGCSA-N 0 1 243.310 2.449 20 0 BEADMN CC[C@H]1CN(Cc2ccc(CO)cc2)[C@@H](C)CO1 ZINC000403849998 411362234 /nfs/dbraw/zinc/36/22/34/411362234.db2.gz SKESRXIUCUMXTF-WFASDCNBSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@H]1CN(Cc2ccc(CO)cc2)[C@H](C)CO1 ZINC000403849995 411362361 /nfs/dbraw/zinc/36/23/61/411362361.db2.gz SKESRXIUCUMXTF-DOMZBBRYSA-N 0 1 249.354 2.178 20 0 BEADMN CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656768410 411362498 /nfs/dbraw/zinc/36/24/98/411362498.db2.gz XYRFULUWPWUKKM-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN C1CN[C@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000070004591 411365043 /nfs/dbraw/zinc/36/50/43/411365043.db2.gz DRDWAUOPSRGOOB-YUMQZZPRSA-N 0 1 225.317 2.062 20 0 BEADMN CC[C@H]1C[N@@H+](CCCCC(=O)[O-])[C@@H](CC)CO1 ZINC000403901214 411365286 /nfs/dbraw/zinc/36/52/86/411365286.db2.gz VMBVCVXDJDCHSO-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCCC(=O)[O-] ZINC000403901209 411365610 /nfs/dbraw/zinc/36/56/10/411365610.db2.gz VMBVCVXDJDCHSO-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCC(C)(C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000125378211 411368287 /nfs/dbraw/zinc/36/82/87/411368287.db2.gz KDCXSCPMRYKMBY-UHFFFAOYSA-N 0 1 235.331 2.207 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1cc(C2CC2)no1 ZINC000660645036 411368908 /nfs/dbraw/zinc/36/89/08/411368908.db2.gz QUFRZCRFVRYIMP-LBPRGKRZSA-N 0 1 249.358 2.078 20 0 BEADMN CCC(C)(C)c1nc([C@@H]2CCCN2)no1 ZINC000070947000 411370012 /nfs/dbraw/zinc/37/00/12/411370012.db2.gz FSIGGFWRXVMIFU-QMMMGPOBSA-N 0 1 209.293 2.182 20 0 BEADMN CCCCCc1nc([C@@H]2CCCN2)no1 ZINC000070947088 411370678 /nfs/dbraw/zinc/37/06/78/411370678.db2.gz LEQIJQBZSLCMTC-VIFPVBQESA-N 0 1 209.293 2.227 20 0 BEADMN C(c1nc([C@H]2CCCN2)no1)C1CCCC1 ZINC000070947145 411370929 /nfs/dbraw/zinc/37/09/29/411370929.db2.gz ARUWPGBUHQILNS-SNVBAGLBSA-N 0 1 221.304 2.227 20 0 BEADMN CC[C@H](O)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656709507 411336285 /nfs/dbraw/zinc/33/62/85/411336285.db2.gz XAQDMLMLIMYGDY-STQMWFEESA-N 0 1 223.291 2.343 20 0 BEADMN FC1(F)CC[C@@H](CN2CCn3cncc3C2)C1 ZINC000660585486 411339560 /nfs/dbraw/zinc/33/95/60/411339560.db2.gz ZZSCFILPVWOHLF-SNVBAGLBSA-N 0 1 241.285 2.134 20 0 BEADMN c1n[nH]cc1CN1CC(C2CCCC2)C1 ZINC000656722061 411340933 /nfs/dbraw/zinc/34/09/33/411340933.db2.gz CLVPZCNHEIQTEU-UHFFFAOYSA-N 0 1 205.305 2.032 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cc(F)ccc1F ZINC000310355847 167998599 /nfs/dbraw/zinc/99/85/99/167998599.db2.gz RVLFEOCNJCKPQW-LBPRGKRZSA-N 0 1 241.281 2.310 20 0 BEADMN CCc1nc([C@H](C)N(C)Cc2ccoc2C)n[nH]1 ZINC000659852386 411343556 /nfs/dbraw/zinc/34/35/56/411343556.db2.gz LLDAFIQXQWQDOJ-VIFPVBQESA-N 0 1 248.330 2.462 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1cccc(F)c1F ZINC000128333398 168000238 /nfs/dbraw/zinc/00/02/38/168000238.db2.gz DADXPMPZUWNCJT-QWRGUYRKSA-N 0 1 241.281 2.214 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccncc1Cl ZINC000335624537 168000869 /nfs/dbraw/zinc/00/08/69/168000869.db2.gz GPNYHFOPNKTJKU-NSHDSACASA-N 0 1 240.734 2.080 20 0 BEADMN CC1(CC(=O)NCCN2CCC2)CCCCC1 ZINC000337976129 168017183 /nfs/dbraw/zinc/01/71/83/168017183.db2.gz KIVHAZOFSGOCTC-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CC1(CN(CC(N)=O)Cc2ccccc2)CCC1 ZINC000278202575 168022648 /nfs/dbraw/zinc/02/26/48/168022648.db2.gz JCKULXRZRSLKHZ-UHFFFAOYSA-N 0 1 246.354 2.164 20 0 BEADMN CCc1ccccc1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656761475 411346580 /nfs/dbraw/zinc/34/65/80/411346580.db2.gz UJEYFFJHXWRUQT-UHFFFAOYSA-N 0 1 245.322 2.298 20 0 BEADMN CC1(CN2CCOC[C@@H]2c2ccccc2)COC1 ZINC000336709663 168026518 /nfs/dbraw/zinc/02/65/18/168026518.db2.gz MHIPUFLGMQNIPH-CQSZACIVSA-N 0 1 247.338 2.096 20 0 BEADMN CC1(Cc2nc(C3(N)CCCC3)no2)CC1 ZINC000334861186 168052683 /nfs/dbraw/zinc/05/26/83/168052683.db2.gz CBAAIYDGNGZTJP-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000656766808 411348757 /nfs/dbraw/zinc/34/87/57/411348757.db2.gz CANPCFAZXWSKQC-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CCC1(CC)CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000656764222 411349099 /nfs/dbraw/zinc/34/90/99/411349099.db2.gz WLFZHDFUCDUSQD-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC1=C(C(=O)N2[C@H](C)CN(C)C[C@H]2C)CCC1 ZINC000336250590 168076689 /nfs/dbraw/zinc/07/66/89/168076689.db2.gz NQGKBQQXKJWKDU-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1c[nH]nc1CN1CCC(C)=C(C)C1 ZINC000291694061 168084316 /nfs/dbraw/zinc/08/43/16/168084316.db2.gz YJKFSBOOLLAJIQ-UHFFFAOYSA-N 0 1 205.305 2.260 20 0 BEADMN CC1=C(C)CN(Cc2ccc(CO)o2)CC1 ZINC000280914957 168084758 /nfs/dbraw/zinc/08/47/58/168084758.db2.gz QQWCKLTZKGWMAY-UHFFFAOYSA-N 0 1 221.300 2.314 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2[C@@H](C)O)c(C)o1 ZINC000659905476 411379121 /nfs/dbraw/zinc/37/91/21/411379121.db2.gz ARZAXVAGLYYYQH-RNCFNFMXSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2[C@H](C)O)c(C)o1 ZINC000659905517 411379399 /nfs/dbraw/zinc/37/93/99/411379399.db2.gz ARZAXVAGLYYYQH-ZANVPECISA-N 0 1 238.331 2.027 20 0 BEADMN CC1=CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000281780335 168100194 /nfs/dbraw/zinc/10/01/94/168100194.db2.gz KLYCCCJTAGCUJJ-UHFFFAOYSA-N 0 1 237.372 2.361 20 0 BEADMN CC1=CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000270081877 168108748 /nfs/dbraw/zinc/10/87/48/168108748.db2.gz JSPXPEKJALDTDV-UHFFFAOYSA-N 0 1 233.315 2.325 20 0 BEADMN CC1=CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000270115039 168108949 /nfs/dbraw/zinc/10/89/49/168108949.db2.gz NNZRRAKCZCZQQN-UHFFFAOYSA-N 0 1 231.299 2.079 20 0 BEADMN Cc1noc(C)c1CN1CC=C(C)CC1 ZINC000270386056 168114645 /nfs/dbraw/zinc/11/46/45/168114645.db2.gz XFIHFLTTZQVKTQ-UHFFFAOYSA-N 0 1 206.289 2.443 20 0 BEADMN CC1=CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000295438442 168115790 /nfs/dbraw/zinc/11/57/90/168115790.db2.gz UJMCKBYGJGIPQL-UHFFFAOYSA-N 0 1 241.285 2.300 20 0 BEADMN CC1=CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000339661419 168117687 /nfs/dbraw/zinc/11/76/87/168117687.db2.gz VIIDFTMSPVALIK-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1CC1 ZINC000100486726 168135608 /nfs/dbraw/zinc/13/56/08/168135608.db2.gz QAXYGBZHVMFTQR-GFCCVEGCSA-N 0 1 214.268 2.435 20 0 BEADMN CC1CC(NCc2nccc(C(F)F)n2)C1 ZINC000309807659 168146594 /nfs/dbraw/zinc/14/65/94/168146594.db2.gz SPUJCUVXCBCUGK-UHFFFAOYSA-N 0 1 227.258 2.302 20 0 BEADMN CC1CC([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000309133662 168148088 /nfs/dbraw/zinc/14/80/88/168148088.db2.gz ROZXJCVJMXTJEL-RFBVYIQQSA-N 0 1 205.305 2.175 20 0 BEADMN CC1CCC(C)(NC(=O)CCc2cnc[nH]2)CC1 ZINC000188836961 168150117 /nfs/dbraw/zinc/15/01/17/168150117.db2.gz IKEUFTCNEFPFMQ-UHFFFAOYSA-N 0 1 249.358 2.427 20 0 BEADMN CC1CCC([N@@H+](C)CCCC(=O)[O-])CC1 ZINC000042487879 168158464 /nfs/dbraw/zinc/15/84/64/168158464.db2.gz VDRFPOXLQJZPPJ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC(C)CC2)n[nH]1 ZINC000044835716 168176182 /nfs/dbraw/zinc/17/61/82/168176182.db2.gz AMCVMCFZUQAFRW-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CC1CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000334290865 168191502 /nfs/dbraw/zinc/19/15/02/168191502.db2.gz MFXSLEMNSYAPLT-UHFFFAOYSA-N 0 1 227.311 2.324 20 0 BEADMN CC1CN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000336381691 168191767 /nfs/dbraw/zinc/19/17/67/168191767.db2.gz KFPDCUYJKWRGPW-UHFFFAOYSA-N 0 1 248.351 2.052 20 0 BEADMN CCC(=CC(=O)N[C@@H]1CCc2nc[nH]c2C1)CC ZINC000371307274 168196017 /nfs/dbraw/zinc/19/60/17/168196017.db2.gz CKKXSIJYPQCAOL-LLVKDONJSA-N 0 1 247.342 2.130 20 0 BEADMN C[C@@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)N(C)C ZINC000654408411 411390501 /nfs/dbraw/zinc/39/05/01/411390501.db2.gz QCDJNIFIGBUUEX-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H](O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000247807491 411390595 /nfs/dbraw/zinc/39/05/95/411390595.db2.gz TVIVOPPWNYTMBF-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN CCC(C)(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268968639 168268060 /nfs/dbraw/zinc/26/80/60/168268060.db2.gz LEUOQPZIQSSMHG-JTQLQIEISA-N 0 1 235.331 2.340 20 0 BEADMN CCC(C)(C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175824332 168269141 /nfs/dbraw/zinc/26/91/41/168269141.db2.gz VCZJWJQZEAHAQI-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C(C)C)CC1 ZINC000362540013 168272135 /nfs/dbraw/zinc/27/21/35/168272135.db2.gz BFTPHMYAPLZAPM-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1C[C@H](NCc2nc(C)cs2)CO1 ZINC000657301637 411455144 /nfs/dbraw/zinc/45/51/44/411455144.db2.gz KIZRHHCFNBGJPA-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](F)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000659791613 411455362 /nfs/dbraw/zinc/45/53/62/411455362.db2.gz NUIKSNVEFSUJLU-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1OC1CC1 ZINC000659791675 411455795 /nfs/dbraw/zinc/45/57/95/411455795.db2.gz LWWPSUNFWGNWIB-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000659799316 411457174 /nfs/dbraw/zinc/45/71/74/411457174.db2.gz AFEJZUGAOZYPPL-STQMWFEESA-N 0 1 231.295 2.227 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802034 411457812 /nfs/dbraw/zinc/45/78/12/411457812.db2.gz OTJYLHGPLXYELR-BETUJISGSA-N 0 1 233.311 2.290 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659801127 411458365 /nfs/dbraw/zinc/45/83/65/411458365.db2.gz DSDBZEIQGLXFRH-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000659803471 411458710 /nfs/dbraw/zinc/45/87/10/411458710.db2.gz IGDAPLHQBWQMCH-ZYHUDNBSSA-N 0 1 233.311 2.121 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000659803470 411458804 /nfs/dbraw/zinc/45/88/04/411458804.db2.gz IGDAPLHQBWQMCH-PWSUYJOCSA-N 0 1 233.311 2.121 20 0 BEADMN Cc1noc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000657325678 411464535 /nfs/dbraw/zinc/46/45/35/411464535.db2.gz BPLVOZODKDPKHV-SNXWAXQRSA-N 0 1 221.304 2.217 20 0 BEADMN CCN1C(=O)N=NC1SCCC=C(C)C ZINC000657235016 411423680 /nfs/dbraw/zinc/42/36/80/411423680.db2.gz YHZQVHPGIUIGBO-UHFFFAOYSA-N 0 1 227.333 2.452 20 0 BEADMN CC(=O)[C@@H](C)CCSc1nc(C2CC2)n[nH]1 ZINC000657242401 411424950 /nfs/dbraw/zinc/42/49/50/411424950.db2.gz FETKNGVJZHEZHI-ZETCQYMHSA-N 0 1 239.344 2.389 20 0 BEADMN CC(=O)[C@@H](C)CCSc1n[nH]c(C2CC2)n1 ZINC000657242401 411424953 /nfs/dbraw/zinc/42/49/53/411424953.db2.gz FETKNGVJZHEZHI-ZETCQYMHSA-N 0 1 239.344 2.389 20 0 BEADMN Cc1nsc(C)c1CN1CCc2cn[nH]c2C1 ZINC000653588414 411429270 /nfs/dbraw/zinc/42/92/70/411429270.db2.gz VAWMBKPYIPEKEX-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN c1[nH]nnc1CCSc1ccc2c(c1)CCO2 ZINC000657263584 411436357 /nfs/dbraw/zinc/43/63/57/411436357.db2.gz HTHZFKHTWOVKTF-UHFFFAOYSA-N 0 1 247.323 2.074 20 0 BEADMN CC(C)(C)OCCN[C@H]1CCCn2ccnc21 ZINC000655741484 411445485 /nfs/dbraw/zinc/44/54/85/411445485.db2.gz IXMVFVYZTMSCCF-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN Cc1cccc(CN2CCC[C@@H]3COC[C@@H]32)n1 ZINC000657293795 411450244 /nfs/dbraw/zinc/45/02/44/411450244.db2.gz PTPMMJDDYGCZGC-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H]3CCC[C@@H]32)on1 ZINC000653625646 411450401 /nfs/dbraw/zinc/45/04/01/411450401.db2.gz LIEVNZNOCOAGBR-MFKMUULPSA-N 0 1 234.299 2.252 20 0 BEADMN CCc1[nH]n(-c2cccc(OC)c2)c(=O)c1C ZINC000123513599 411451944 /nfs/dbraw/zinc/45/19/44/411451944.db2.gz HKBXDARUFDXKSZ-SECBINFHSA-N 0 1 232.283 2.444 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2N)CCS1 ZINC000123517415 411452391 /nfs/dbraw/zinc/45/23/91/411452391.db2.gz ZWBQVSTXQBGTKG-SECBINFHSA-N 0 1 240.347 2.345 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000659786513 411453747 /nfs/dbraw/zinc/45/37/47/411453747.db2.gz QAWUVZVFSRQIMI-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC(=O)[O-])C(C)C ZINC000659788099 411454292 /nfs/dbraw/zinc/45/42/92/411454292.db2.gz IDUXVKVHBXWCJH-VIFPVBQESA-N 0 1 237.290 2.463 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CC=CC1 ZINC000659788489 411454611 /nfs/dbraw/zinc/45/46/11/411454611.db2.gz JCONKONWRHZPAQ-SNVBAGLBSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC)CC(=O)[O-] ZINC000659788410 411454667 /nfs/dbraw/zinc/45/46/67/411454667.db2.gz NEYKKLFMAQDAIY-MRVPVSSYSA-N 0 1 223.263 2.074 20 0 BEADMN CC[C@H](C)N(C)Cc1cc(OC)ns1 ZINC000660064219 411532665 /nfs/dbraw/zinc/53/26/65/411532665.db2.gz SJXARFMPYBBCNT-QMMMGPOBSA-N 0 1 214.334 2.382 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cc(OC)no1 ZINC000659837005 411469130 /nfs/dbraw/zinc/46/91/30/411469130.db2.gz WMJBCHRLAQNNSI-SECBINFHSA-N 0 1 212.293 2.304 20 0 BEADMN CCN(Cc1cc(C)nc(C)n1)C1CC1 ZINC000659836385 411470047 /nfs/dbraw/zinc/47/00/47/411470047.db2.gz OVZQHPHDJZDXAB-UHFFFAOYSA-N 0 1 205.305 2.078 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000655003741 411474471 /nfs/dbraw/zinc/47/44/71/411474471.db2.gz UHYPGICMXAQHMB-WDEREUQCSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)CCC1CC1)N1CC(C)C1 ZINC000655003606 411475152 /nfs/dbraw/zinc/47/51/52/411475152.db2.gz ITUMNMCYFRTIKE-NWDGAFQWSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H](O)CNCc1ccc(F)c(F)c1F ZINC000657359295 411477325 /nfs/dbraw/zinc/47/73/25/411477325.db2.gz LIIFCCWXZHGCQB-SECBINFHSA-N 0 1 247.260 2.355 20 0 BEADMN COCCCN(C)Cc1cc(C2CC2)no1 ZINC000659856013 411478429 /nfs/dbraw/zinc/47/84/29/411478429.db2.gz QGRZBHKLMJVPSA-UHFFFAOYSA-N 0 1 224.304 2.020 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2nc(C)c[nH]2)C12CCC2 ZINC000657375288 411482822 /nfs/dbraw/zinc/48/28/22/411482822.db2.gz FXJQOSQYSIDBCS-VXGBXAGGSA-N 0 1 249.358 2.155 20 0 BEADMN CCCN(CC(F)F)[C@@H](C)c1n[nH]c(CC)n1 ZINC000659868026 411483257 /nfs/dbraw/zinc/48/32/57/411483257.db2.gz LYGWXSGIHQPOJY-QMMMGPOBSA-N 0 1 246.305 2.405 20 0 BEADMN COc1cc(CN(C)CC(C)(C)C)on1 ZINC000659870818 411484274 /nfs/dbraw/zinc/48/42/74/411484274.db2.gz IENMBYXVLMTXFY-UHFFFAOYSA-N 0 1 212.293 2.161 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(C)C(C)(C)C1 ZINC000655052130 411485811 /nfs/dbraw/zinc/48/58/11/411485811.db2.gz OCDFYRUURREZDX-GHXNOFRVSA-N 0 1 236.359 2.061 20 0 BEADMN CC[C@H]1C[C@@H](NCc2nc(C)c(C)s2)CO1 ZINC000657383818 411489434 /nfs/dbraw/zinc/48/94/34/411489434.db2.gz LCMBEBXJIMKGRG-MNOVXSKESA-N 0 1 240.372 2.417 20 0 BEADMN FC1(F)CC[C@H](NCc2cc3n(n2)CCC3)C1 ZINC000657397640 411494983 /nfs/dbraw/zinc/49/49/83/411494983.db2.gz CQAAKNPLINUSNF-VIFPVBQESA-N 0 1 241.285 2.107 20 0 BEADMN CN(CCCC1CCC1)Cc1cc[nH]n1 ZINC000659920215 411498919 /nfs/dbraw/zinc/49/89/19/411498919.db2.gz OEKFPXDZLCPHEQ-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CC(C)=CCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000659925269 411500287 /nfs/dbraw/zinc/50/02/87/411500287.db2.gz BNTUABQKDIEHNS-NEPJUHHUSA-N 0 1 247.404 2.096 20 0 BEADMN CC(C)=CCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000659925274 411500489 /nfs/dbraw/zinc/50/04/89/411500489.db2.gz BNTUABQKDIEHNS-VXGBXAGGSA-N 0 1 247.404 2.096 20 0 BEADMN CC(C)=CCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000659925270 411501067 /nfs/dbraw/zinc/50/10/67/411501067.db2.gz BNTUABQKDIEHNS-NWDGAFQWSA-N 0 1 247.404 2.096 20 0 BEADMN CCCn1nccc1CNCc1cncc(C)c1 ZINC000657418626 411501843 /nfs/dbraw/zinc/50/18/43/411501843.db2.gz QGABCHZHVLOBCB-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000655141043 411503899 /nfs/dbraw/zinc/50/38/99/411503899.db2.gz KYAJODZXYFCLKS-VXGBXAGGSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000655141042 411503946 /nfs/dbraw/zinc/50/39/46/411503946.db2.gz KYAJODZXYFCLKS-RYUDHWBXSA-N 0 1 240.391 2.268 20 0 BEADMN CCN(Cc1cc(OC)no1)C1CCC1 ZINC000659939908 411504186 /nfs/dbraw/zinc/50/41/86/411504186.db2.gz KSTXIBGLCQEHJR-UHFFFAOYSA-N 0 1 210.277 2.058 20 0 BEADMN CC(C)n1ccnc1CN[C@]1(C)CCCOC1 ZINC000657425540 411504709 /nfs/dbraw/zinc/50/47/09/411504709.db2.gz KZUXZZQKEIWEDF-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN CCO[C@H]1CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000659942607 411505363 /nfs/dbraw/zinc/50/53/63/411505363.db2.gz MSJIIZDAUXMHJN-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CC1(C)C[C@@H]([N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CO1 ZINC000660077861 411534837 /nfs/dbraw/zinc/53/48/37/411534837.db2.gz QOWOZFALETTWOD-VXGBXAGGSA-N 0 1 249.358 2.157 20 0 BEADMN c1c(CN[C@@H]2C[C@H]2C2CCC2)nn2c1CCCC2 ZINC000655796571 411515955 /nfs/dbraw/zinc/51/59/55/411515955.db2.gz GBRMJZVIHIRSLN-LSDHHAIUSA-N 0 1 245.370 2.498 20 0 BEADMN C[C@@H]1C[C@H](N(C)Cc2nccs2)CCO1 ZINC000659977264 411516764 /nfs/dbraw/zinc/51/67/64/411516764.db2.gz MABDXRWCWHFENA-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1cscc1CNCc1cnn2c1CCC2 ZINC000657451345 411517883 /nfs/dbraw/zinc/51/78/83/411517883.db2.gz QCUCPPNJEXGWFF-UHFFFAOYSA-N 0 1 247.367 2.489 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C)[C@H]2C)[nH]1 ZINC000659984512 411519092 /nfs/dbraw/zinc/51/90/92/411519092.db2.gz MQZHKRSPFLPHCB-AEJSXWLSSA-N 0 1 222.336 2.158 20 0 BEADMN CCN1CC[C@@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000659985653 411520071 /nfs/dbraw/zinc/52/00/71/411520071.db2.gz PJZLVOODEOWRQO-UONOGXRCSA-N 0 1 244.338 2.054 20 0 BEADMN CC[C@]1(C)CCN(Cc2cc(OC)no2)C1 ZINC000660000426 411525524 /nfs/dbraw/zinc/52/55/24/411525524.db2.gz WWHXBGYDOLXXFS-GFCCVEGCSA-N 0 1 224.304 2.305 20 0 BEADMN COCC1(CN[C@@H](C)c2cscn2)CC1 ZINC000655816873 411528081 /nfs/dbraw/zinc/52/80/81/411528081.db2.gz FROVSEIZJBSVMB-VIFPVBQESA-N 0 1 226.345 2.220 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@H](CC)C2)o1 ZINC000657486257 411529742 /nfs/dbraw/zinc/52/97/42/411529742.db2.gz VEPRXJKNEJUIBS-WDEREUQCSA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)CO1 ZINC000657485109 411529773 /nfs/dbraw/zinc/52/97/73/411529773.db2.gz WXSUPJBRPMSXCP-YFKTTZPYSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1cnc(CCNCc2nccs2)c(C)c1 ZINC000655829389 411530386 /nfs/dbraw/zinc/53/03/86/411530386.db2.gz MLEYXMIKMSJXSB-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN CCC[C@H](CC)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660499023 411531668 /nfs/dbraw/zinc/53/16/68/411531668.db2.gz HHCRNRDXDMDTNA-JTQLQIEISA-N 0 1 238.335 2.130 20 0 BEADMN CCC[C@@H](CC)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660499025 411531677 /nfs/dbraw/zinc/53/16/77/411531677.db2.gz HHCRNRDXDMDTNA-SNVBAGLBSA-N 0 1 238.335 2.130 20 0 BEADMN CO[C@H](CNCc1nc(C)c[nH]1)c1ccccc1 ZINC000657327835 411465988 /nfs/dbraw/zinc/46/59/88/411465988.db2.gz ZKYNJBRYLZUCTB-CYBMUJFWSA-N 0 1 245.326 2.195 20 0 BEADMN CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148501 170034922 /nfs/dbraw/zinc/03/49/22/170034922.db2.gz WBVYDADXZODBKF-WCQYABFASA-N 0 1 205.301 2.468 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@H](C)O)c(C)o1 ZINC000660123252 411540322 /nfs/dbraw/zinc/54/03/22/411540322.db2.gz JCUHUHYXZJTRJG-JOYOIKCWSA-N 0 1 238.331 2.027 20 0 BEADMN CCNC(=O)C1(CNc2cc(C)ccn2)CCC1 ZINC000277146205 170043879 /nfs/dbraw/zinc/04/38/79/170043879.db2.gz FGXCOMLNKBWASF-UHFFFAOYSA-N 0 1 247.342 2.108 20 0 BEADMN Cc1cc(CN2CC=C(C)CC2)nc(C)n1 ZINC000660127882 411541892 /nfs/dbraw/zinc/54/18/92/411541892.db2.gz QUHUVKQJRSWRQW-UHFFFAOYSA-N 0 1 217.316 2.245 20 0 BEADMN CCNC(=O)CN(C)[C@@H](C)c1ccccc1C ZINC000340638251 170055525 /nfs/dbraw/zinc/05/55/25/170055525.db2.gz NKMXZTWGDZCCEW-LBPRGKRZSA-N 0 1 234.343 2.124 20 0 BEADMN CCNC(=O)CNCc1ccc(C(C)(C)C)cc1 ZINC000035134224 170064367 /nfs/dbraw/zinc/06/43/67/170064367.db2.gz XHBICVWCNMTXCW-UHFFFAOYSA-N 0 1 248.370 2.210 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000035138857 170087675 /nfs/dbraw/zinc/08/76/75/170087675.db2.gz WLLLEPLXSBEGED-VHSXEESVSA-N 0 1 238.306 2.001 20 0 BEADMN CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000120688115 170099178 /nfs/dbraw/zinc/09/91/78/170099178.db2.gz MGYANOWYGZNPEB-CQSZACIVSA-N 0 1 246.354 2.177 20 0 BEADMN CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000120688115 170099179 /nfs/dbraw/zinc/09/91/79/170099179.db2.gz MGYANOWYGZNPEB-CQSZACIVSA-N 0 1 246.354 2.177 20 0 BEADMN OC[C@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000657559500 411550999 /nfs/dbraw/zinc/55/09/99/411550999.db2.gz ZMUPTLRDGCTLNI-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN CCNCc1nc(-c2cc(F)ccc2C)no1 ZINC000052138265 170129990 /nfs/dbraw/zinc/12/99/90/170129990.db2.gz GWQCWZJRPGDJLQ-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000087342005 170148666 /nfs/dbraw/zinc/14/86/66/170148666.db2.gz CDGAMEVFESILCN-NSHDSACASA-N 0 1 201.273 2.109 20 0 BEADMN Cc1nocc1CN1CC[C@H](C(F)F)C1 ZINC000660146580 411544611 /nfs/dbraw/zinc/54/46/11/411544611.db2.gz HXCCDLWGHQYGSE-QMMMGPOBSA-N 0 1 216.231 2.070 20 0 BEADMN CCOC(=O)CN1CCCC[C@H]1C(C)C ZINC000117432127 170218996 /nfs/dbraw/zinc/21/89/96/170218996.db2.gz SJIJPHUSANIDTG-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)[C@@H](C)N(CCCCF)C1CC1 ZINC000352412820 170246844 /nfs/dbraw/zinc/24/68/44/170246844.db2.gz JGDDHOZRUBJWJG-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C)c1cscn1 ZINC000657600323 411558496 /nfs/dbraw/zinc/55/84/96/411558496.db2.gz OHWAYVJMBHZOAU-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNC/C=C\CO)o1 ZINC000657593218 411559243 /nfs/dbraw/zinc/55/92/43/411559243.db2.gz QFZJZTJZFVUKRO-UVWWULRDSA-N 0 1 221.300 2.041 20 0 BEADMN OC/C=C/CNCc1cnc(C2CCC2)s1 ZINC000657593797 411560052 /nfs/dbraw/zinc/56/00/52/411560052.db2.gz WFAVNQYAMOALFI-OWOJBTEDSA-N 0 1 238.356 2.049 20 0 BEADMN C[C@H](NC/C=C\CO)c1ccccc1F ZINC000657595159 411560512 /nfs/dbraw/zinc/56/05/12/411560512.db2.gz YBQHBZPSQPRACB-LWTINBJPSA-N 0 1 209.264 2.025 20 0 BEADMN CCOC(=O)[C@H](C)N(CCC(C)C)C1CC1 ZINC000109547188 170266136 /nfs/dbraw/zinc/26/61/36/170266136.db2.gz LUZSNLNWWIBGKY-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CCOC(=O)[C@H](C)N(CCCCF)C1CC1 ZINC000352412819 170266830 /nfs/dbraw/zinc/26/68/30/170266830.db2.gz JGDDHOZRUBJWJG-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN Cc1noc([C@@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660263319 411561385 /nfs/dbraw/zinc/56/13/85/411561385.db2.gz ODYNXFKIROEYFF-CZULRBLNSA-N 0 1 221.304 2.075 20 0 BEADMN C[C@H](NCc1ncc(Cl)s1)C1(CO)CC1 ZINC000657606875 411561389 /nfs/dbraw/zinc/56/13/89/411561389.db2.gz CGFNPRREXQAYGL-ZETCQYMHSA-N 0 1 246.763 2.047 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1C[C@H](C)[C@@H]1C ZINC000339571820 170270312 /nfs/dbraw/zinc/27/03/12/170270312.db2.gz NZEAHWWFPDKERI-SRVKXCTJSA-N 0 1 227.348 2.304 20 0 BEADMN CC[C@@H](NCc1nc(C)oc1C)[C@H]1CCCO1 ZINC000660260933 411561566 /nfs/dbraw/zinc/56/15/66/411561566.db2.gz XDOYCPAAWBWKCJ-DGCLKSJQSA-N 0 1 238.331 2.339 20 0 BEADMN CCOC(=O)[C@H](CC)N1C[C@H]2CCCC[C@H]21 ZINC000377774742 170271232 /nfs/dbraw/zinc/27/12/32/170271232.db2.gz YLBCZSXVMQFGSR-GRYCIOLGSA-N 0 1 225.332 2.203 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CC1CCC1 ZINC000082761098 170271953 /nfs/dbraw/zinc/27/19/53/170271953.db2.gz QNUFHRIYMFMOQY-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000657616130 411563990 /nfs/dbraw/zinc/56/39/90/411563990.db2.gz MOYULQXNQAZIPD-IINYFYTJSA-N 0 1 227.311 2.228 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CCO[C@H](C)C2)s1 ZINC000660281129 411564878 /nfs/dbraw/zinc/56/48/78/411564878.db2.gz VKKXOHRXTJVSRX-NQMVMOMDSA-N 0 1 241.360 2.065 20 0 BEADMN CCOC(=O)c1coc(CN2CCC[C@H]2C)c1 ZINC000353662868 170304147 /nfs/dbraw/zinc/30/41/47/170304147.db2.gz ZOIGMNJGQQZZED-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN CCOC(=O)c1coc(CN2CCC[C@@H]2C)c1 ZINC000353662867 170304711 /nfs/dbraw/zinc/30/47/11/170304711.db2.gz ZOIGMNJGQQZZED-JTQLQIEISA-N 0 1 237.299 2.441 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCC[C@H](C)O2)s1 ZINC000657670625 411574670 /nfs/dbraw/zinc/57/46/70/411574670.db2.gz VUOBMQJZBOCCGQ-ONGXEEELSA-N 0 1 240.372 2.499 20 0 BEADMN CCOCC(C)(C)NCc1cn2ccccc2n1 ZINC000293346984 170355007 /nfs/dbraw/zinc/35/50/07/170355007.db2.gz SSMQPKPVNWFODZ-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CCOCC(C)(C)NCc1ccn(C(C)C)n1 ZINC000339373287 170355132 /nfs/dbraw/zinc/35/51/32/170355132.db2.gz MGPYJKXZYXLZEA-UHFFFAOYSA-N 0 1 239.363 2.369 20 0 BEADMN CCOCCCN(C)Cc1conc1CC ZINC000339605918 170371231 /nfs/dbraw/zinc/37/12/31/170371231.db2.gz CBPJPFYVTPMUFZ-UHFFFAOYSA-N 0 1 226.320 2.095 20 0 BEADMN CC(C)(F)CCNCc1cn(C(C)(C)C)nn1 ZINC000657645265 411569110 /nfs/dbraw/zinc/56/91/10/411569110.db2.gz PWOOSADSAYJOAZ-UHFFFAOYSA-N 0 1 242.342 2.261 20 0 BEADMN CC(C)(F)CCNCc1cn(C2CCC2)nn1 ZINC000657646063 411569301 /nfs/dbraw/zinc/56/93/01/411569301.db2.gz SYKKTMGCMALIEL-UHFFFAOYSA-N 0 1 240.326 2.231 20 0 BEADMN CCOCCCN[C@@H](C)c1cscn1 ZINC000022862697 170382044 /nfs/dbraw/zinc/38/20/44/170382044.db2.gz PCBCXUNDNIXXRV-VIFPVBQESA-N 0 1 214.334 2.220 20 0 BEADMN CCOCCCSc1nc(C2CC2)n[nH]1 ZINC000126351067 170384603 /nfs/dbraw/zinc/38/46/03/170384603.db2.gz FKBDYNTZACTUAM-UHFFFAOYSA-N 0 1 227.333 2.201 20 0 BEADMN CCOCCCSc1n[nH]c(C2CC2)n1 ZINC000126351067 170384606 /nfs/dbraw/zinc/38/46/06/170384606.db2.gz FKBDYNTZACTUAM-UHFFFAOYSA-N 0 1 227.333 2.201 20 0 BEADMN CCOCCN(C)Cc1ccc(CC)cn1 ZINC000339062830 170389607 /nfs/dbraw/zinc/38/96/07/170389607.db2.gz METFZNNZXGGMRV-UHFFFAOYSA-N 0 1 222.332 2.112 20 0 BEADMN CCOCCN(C)Cc1ccnc(Cl)c1 ZINC000087977620 170390350 /nfs/dbraw/zinc/39/03/50/170390350.db2.gz ADSADZCEHRPWFC-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CCOCCN(C)[C@H](C)c1ccccn1 ZINC000119779893 170391028 /nfs/dbraw/zinc/39/10/28/170391028.db2.gz GCDBEAGVMQRYBB-LLVKDONJSA-N 0 1 208.305 2.111 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C(=O)[O-])C1 ZINC000663318910 411624347 /nfs/dbraw/zinc/62/43/47/411624347.db2.gz ZDDNIGYGEFJFMT-LBELIVKGSA-N 0 1 237.343 2.218 20 0 BEADMN COCC1(NCc2cocn2)CCCCC1 ZINC000663337395 411627464 /nfs/dbraw/zinc/62/74/64/411627464.db2.gz WIHVHGVVDIZDJS-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN COc1cc(CN(C)C2CC(C)(C)C2)on1 ZINC000660779381 411627483 /nfs/dbraw/zinc/62/74/83/411627483.db2.gz SFRJQOGQCDRYCT-UHFFFAOYSA-N 0 1 224.304 2.304 20 0 BEADMN CCN(Cc1cn(C)cn1)C1CC(C)(C)C1 ZINC000660809332 411642194 /nfs/dbraw/zinc/64/21/94/411642194.db2.gz UZDHEQSUVUKVLT-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccc(Cl)o2)C12CCC2 ZINC000657703036 411583241 /nfs/dbraw/zinc/58/32/41/411583241.db2.gz KOOWLHUWPRNRRK-ZJUUUORDSA-N 0 1 241.718 2.326 20 0 BEADMN CC1(C)[C@@H](CNCc2cocn2)C1(F)F ZINC000657739279 411588724 /nfs/dbraw/zinc/58/87/24/411588724.db2.gz QZZOONDTIWLUGH-MRVPVSSYSA-N 0 1 216.231 2.056 20 0 BEADMN CC(=O)c1nc(CCN2CCC=C(C)C2)[nH]c1C ZINC000660461213 411589349 /nfs/dbraw/zinc/58/93/49/411589349.db2.gz AOVWDQAJIQRITE-UHFFFAOYSA-N 0 1 247.342 2.115 20 0 BEADMN CC(C)(C)n1cc(CN[C@@]2(C)CC2(C)C)nn1 ZINC000657761288 411590700 /nfs/dbraw/zinc/59/07/00/411590700.db2.gz INIOBFPDUMBZJQ-ZDUSSCGKSA-N 0 1 236.363 2.311 20 0 BEADMN Cc1nc(CN[C@@]2(C)CC2(C)C)[nH]c1C ZINC000657761270 411591058 /nfs/dbraw/zinc/59/10/58/411591058.db2.gz IAUFMTQMWIJZJA-LBPRGKRZSA-N 0 1 207.321 2.305 20 0 BEADMN CCn1ccnc1CN[C@]1(C)CC1(C)C ZINC000657761754 411591575 /nfs/dbraw/zinc/59/15/75/411591575.db2.gz RTYMIMRDVUUMDF-GFCCVEGCSA-N 0 1 207.321 2.181 20 0 BEADMN CCn1ccnc1CN[C@@]1(C)CC1(C)C ZINC000657761755 411591775 /nfs/dbraw/zinc/59/17/75/411591775.db2.gz RTYMIMRDVUUMDF-LBPRGKRZSA-N 0 1 207.321 2.181 20 0 BEADMN c1c(CNCC2=CCCC2)nn2c1CCCC2 ZINC000657749892 411592045 /nfs/dbraw/zinc/59/20/45/411592045.db2.gz SFBFGZPZDLOXSQ-UHFFFAOYSA-N 0 1 231.343 2.419 20 0 BEADMN COCc1cnc(CNCC2=CCCC2)s1 ZINC000657749983 411592725 /nfs/dbraw/zinc/59/27/25/411592725.db2.gz WCYDLWLTCMOXGE-UHFFFAOYSA-N 0 1 238.356 2.489 20 0 BEADMN CO[C@H](CNCc1ncc[nH]1)C1CCCCC1 ZINC000657783572 411594903 /nfs/dbraw/zinc/59/49/03/411594903.db2.gz ZYUUVFQZJPFADB-GFCCVEGCSA-N 0 1 237.347 2.095 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cccc(F)c1F ZINC000657788473 411596069 /nfs/dbraw/zinc/59/60/69/411596069.db2.gz QRIIHIXMNOGCLB-PWSUYJOCSA-N 0 1 227.254 2.232 20 0 BEADMN CC(C)=CCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000660537981 411597172 /nfs/dbraw/zinc/59/71/72/411597172.db2.gz HNBAFLXCJPFNBV-ZIAGYGMSSA-N 0 1 239.359 2.223 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000657790784 411597588 /nfs/dbraw/zinc/59/75/88/411597588.db2.gz VMWUNODHZCQBTB-RISCZKNCSA-N 0 1 249.358 2.041 20 0 BEADMN CO[C@@H](CNCc1cc[nH]n1)C1CCCCC1 ZINC000657782174 411598190 /nfs/dbraw/zinc/59/81/90/411598190.db2.gz KXGMHEVFHLYKLA-ZDUSSCGKSA-N 0 1 237.347 2.095 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc2ccccc2n1 ZINC000660550578 411599330 /nfs/dbraw/zinc/59/93/30/411599330.db2.gz GDCURLNYQOFEOP-LLVKDONJSA-N 0 1 245.326 2.097 20 0 BEADMN C[C@H](O)[C@H](NCc1ccncc1)c1ccccc1 ZINC000657820793 411607312 /nfs/dbraw/zinc/60/73/12/411607312.db2.gz XEEYDWZYDGKQHQ-WFASDCNBSA-N 0 1 242.322 2.293 20 0 BEADMN CCCNC(=O)CNCc1cccc(C(C)C)c1 ZINC000663313474 411622419 /nfs/dbraw/zinc/62/24/19/411622419.db2.gz DDDBAOZZZCLFHB-UHFFFAOYSA-N 0 1 248.370 2.426 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC2CC1(C)C2 ZINC000663315301 411622489 /nfs/dbraw/zinc/62/24/89/411622489.db2.gz GFBZPCWWLNWPJO-SQLBVSGCSA-N 0 1 211.305 2.114 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@@H](C(=O)[O-])c1ccccc1F ZINC000663315972 411622896 /nfs/dbraw/zinc/62/28/96/411622896.db2.gz QQXSGNGQHOKUNH-VTGPFMDVSA-N 0 1 249.285 2.436 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@H](C(=O)[O-])c1ccccc1F ZINC000663315970 411622935 /nfs/dbraw/zinc/62/29/35/411622935.db2.gz QQXSGNGQHOKUNH-PEUVISTOSA-N 0 1 249.285 2.436 20 0 BEADMN CC[C@H](C)[N@@H+](CC)CC(=O)Nc1nccs1 ZINC000661106288 411710555 /nfs/dbraw/zinc/71/05/55/411710555.db2.gz GZPCZLMJIVBTFJ-VIFPVBQESA-N 0 1 241.360 2.202 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)Nc1nccs1 ZINC000661106288 411710560 /nfs/dbraw/zinc/71/05/60/411710560.db2.gz GZPCZLMJIVBTFJ-VIFPVBQESA-N 0 1 241.360 2.202 20 0 BEADMN CC[C@H](C)N(CC)Cc1ncc(C)cn1 ZINC000661109283 411712417 /nfs/dbraw/zinc/71/24/17/411712417.db2.gz YSVUAGBMHLCXDE-NSHDSACASA-N 0 1 207.321 2.405 20 0 BEADMN Cc1nc([C@H](C)N2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660933948 411683411 /nfs/dbraw/zinc/68/34/11/411683411.db2.gz HUVUFVFZEHJAEA-LSJOCFKGSA-N 0 1 220.320 2.049 20 0 BEADMN CCc1nc([C@H](C)N2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660933600 411684924 /nfs/dbraw/zinc/68/49/24/411684924.db2.gz DAVJFKJGUBAUNP-DCAQKATOSA-N 0 1 234.347 2.303 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ncc(Cl)s1 ZINC000661088206 411698951 /nfs/dbraw/zinc/69/89/51/411698951.db2.gz GUARSVBXZVMUPM-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CCc1cc(CCCN(C)Cc2c[nH]cn2)on1 ZINC000661090895 411701469 /nfs/dbraw/zinc/70/14/69/411701469.db2.gz UXUXGIDNDDJTEU-UHFFFAOYSA-N 0 1 248.330 2.025 20 0 BEADMN CCCCOCCN1CCO[C@](C)(C2CC2)C1 ZINC000661171803 411729296 /nfs/dbraw/zinc/72/92/96/411729296.db2.gz XZVFKCMFFAIMEI-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nc(N(C)C)no1 ZINC000661230418 411735478 /nfs/dbraw/zinc/73/54/78/411735478.db2.gz APTTYMAKKCRZMG-VIFPVBQESA-N 0 1 240.351 2.050 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nc(N(C)C)no1 ZINC000661230417 411735701 /nfs/dbraw/zinc/73/57/01/411735701.db2.gz APTTYMAKKCRZMG-SECBINFHSA-N 0 1 240.351 2.050 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1csnn1 ZINC000661231510 411738275 /nfs/dbraw/zinc/73/82/75/411738275.db2.gz NFCBERATBRDCAU-QMMMGPOBSA-N 0 1 213.350 2.452 20 0 BEADMN COC1CCC(CNCC(C)(F)F)CC1 ZINC000894624807 583496369 /nfs/dbraw/zinc/49/63/69/583496369.db2.gz NVHWFGOBFUUCCK-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN OCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446501 411779944 /nfs/dbraw/zinc/77/99/44/411779944.db2.gz PEJMOJRICMTWRE-GFCCVEGCSA-N 0 1 221.300 2.189 20 0 BEADMN COCCCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661468349 411782425 /nfs/dbraw/zinc/78/24/25/411782425.db2.gz VMCLIAMCMCCNPX-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN CC(C)OCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470357 411784005 /nfs/dbraw/zinc/78/40/05/411784005.db2.gz SBOGVYHHCOVYTA-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)OCCN1CC2(CCC2)OC[C@@H]1C ZINC000661470357 411784008 /nfs/dbraw/zinc/78/40/08/411784008.db2.gz SBOGVYHHCOVYTA-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)(C)OCCN1CCO[C@@](C)(C2CC2)C1 ZINC000661171495 411727702 /nfs/dbraw/zinc/72/77/02/411727702.db2.gz WODUBYSVSXOCPI-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@]1(C2CC2)CN(CCOC2CCC2)CCO1 ZINC000661173524 411728261 /nfs/dbraw/zinc/72/82/61/411728261.db2.gz YYXMTRUCQYYSGZ-CQSZACIVSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)C[C@@H](C)C1=O ZINC000661544366 411799698 /nfs/dbraw/zinc/79/96/98/411799698.db2.gz BRLJAHHKYKMWFP-CHWSQXEVSA-N 0 1 246.354 2.171 20 0 BEADMN Cn1cc(CN2CC[C@H](C3CCCCC3)C2)nn1 ZINC000661577784 411807581 /nfs/dbraw/zinc/80/75/81/411807581.db2.gz FRBUDUBNKOWJJK-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1ccnc(CN(C)CC2=CCCOC2)c1 ZINC000661656154 411831055 /nfs/dbraw/zinc/83/10/55/411831055.db2.gz VUNOZTWEULEBQL-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1nc(C)c(CN(C)CC2=CCCOC2)o1 ZINC000661656614 411831268 /nfs/dbraw/zinc/83/12/68/411831268.db2.gz ZORJLNHJOJUAFD-UHFFFAOYSA-N 0 1 236.315 2.070 20 0 BEADMN Cc1nnsc1CN1CCC[C@H](CCF)C1 ZINC000661690458 411840855 /nfs/dbraw/zinc/84/08/55/411840855.db2.gz QPGMJZAJCIILQH-SNVBAGLBSA-N 0 1 243.351 2.418 20 0 BEADMN Cc1nnsc1CN1CCC[C@@H](CCF)C1 ZINC000661690457 411841880 /nfs/dbraw/zinc/84/18/80/411841880.db2.gz QPGMJZAJCIILQH-JTQLQIEISA-N 0 1 243.351 2.418 20 0 BEADMN Cc1cnc([C@H](C)[N@H+]2C[C@H]3COC[C@@]3(C)C2)o1 ZINC000661697324 411843118 /nfs/dbraw/zinc/84/31/18/411843118.db2.gz ASDGZRJRVLFZSF-GMXVVIOVSA-N 0 1 236.315 2.012 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@H]3COC[C@@]3(C)C2)o1 ZINC000661697324 411843119 /nfs/dbraw/zinc/84/31/19/411843119.db2.gz ASDGZRJRVLFZSF-GMXVVIOVSA-N 0 1 236.315 2.012 20 0 BEADMN Cc1cnc([C@H](C)[N@H+]2C[C@@H]3COC[C@@]3(C)C2)o1 ZINC000661697323 411844306 /nfs/dbraw/zinc/84/43/06/411844306.db2.gz ASDGZRJRVLFZSF-DMDPSCGWSA-N 0 1 236.315 2.012 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H]3COC[C@@]3(C)C2)o1 ZINC000661697323 411844310 /nfs/dbraw/zinc/84/43/10/411844310.db2.gz ASDGZRJRVLFZSF-DMDPSCGWSA-N 0 1 236.315 2.012 20 0 BEADMN C[C@H]1CC(C)(C)CN1C(=O)[C@H]1CCCCN1C ZINC000665662933 411846925 /nfs/dbraw/zinc/84/69/25/411846925.db2.gz WURYXBNSTTVPDC-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](C/C=C\c1ccccc1)CC2 ZINC000661713187 411853932 /nfs/dbraw/zinc/85/39/32/411853932.db2.gz FHPRBOGHNCQKMF-FEGLDZKKSA-N 0 1 229.323 2.157 20 0 BEADMN C[C@H]1CCCC[C@@H]1CN(C)Cc1cn(C)nn1 ZINC000661743112 411861862 /nfs/dbraw/zinc/86/18/62/411861862.db2.gz DDFISIRPUKQWSB-NWDGAFQWSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@@H](C)CCNc1ncnc2[nH]cnc21 ZINC000664230770 411890756 /nfs/dbraw/zinc/89/07/56/411890756.db2.gz RLAMDSUWSDNDRQ-MRVPVSSYSA-N 0 1 219.292 2.153 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177316879 170789636 /nfs/dbraw/zinc/78/96/36/170789636.db2.gz UGVRGIRAZKJKQK-OUAUKWLOSA-N 0 1 249.358 2.380 20 0 BEADMN C[C@@H](c1cnccn1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661855889 411904842 /nfs/dbraw/zinc/90/48/42/411904842.db2.gz FESCXXHZHVTRCX-WOPDTQHZSA-N 0 1 235.331 2.037 20 0 BEADMN c1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)n[nH]1 ZINC000661875576 411912943 /nfs/dbraw/zinc/91/29/43/411912943.db2.gz PADAHMUDPPROQU-TZMCWYRMSA-N 0 1 249.358 2.191 20 0 BEADMN Cc1nc(CN2CC[C@@H]3C[C@@H]3C2)c(C)o1 ZINC000661966542 411923892 /nfs/dbraw/zinc/92/38/92/411923892.db2.gz JNDALRUHUOUBPE-GHMZBOCLSA-N 0 1 206.289 2.133 20 0 BEADMN c1c(CN2CC[C@@H]3C[C@@H]3C2)onc1C1CC1 ZINC000661968641 411925005 /nfs/dbraw/zinc/92/50/05/411925005.db2.gz ZLZXRQCXBBYLFC-GHMZBOCLSA-N 0 1 218.300 2.394 20 0 BEADMN Cc1cccc(NC(=O)CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661974894 411930624 /nfs/dbraw/zinc/93/06/24/411930624.db2.gz QDHYUDFNAIRFRB-STQMWFEESA-N 0 1 244.338 2.275 20 0 BEADMN FCCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996607 411937217 /nfs/dbraw/zinc/93/72/17/411937217.db2.gz FCLXWBAIQRLWBD-UHFFFAOYSA-N 0 1 227.323 2.237 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccncc1Cl ZINC000661764407 411873571 /nfs/dbraw/zinc/87/35/71/411873571.db2.gz DHXCQNJWINWCFH-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000661764718 411876197 /nfs/dbraw/zinc/87/61/97/411876197.db2.gz JTCFSIUDWYUVCT-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C)O)s1 ZINC000661772256 411883354 /nfs/dbraw/zinc/88/33/54/411883354.db2.gz QEXIIGSVVWXDKP-GXSJLCMTSA-N 0 1 240.372 2.105 20 0 BEADMN CC(C)CC1(N[C@H](C)c2nncn2C)CC1 ZINC000662065731 411967795 /nfs/dbraw/zinc/96/77/95/411967795.db2.gz AIDGCZRRPIKRHE-SNVBAGLBSA-N 0 1 222.336 2.044 20 0 BEADMN Cc1nccc(N2CCC3(COC3)C2)c1Cl ZINC000664570476 411989116 /nfs/dbraw/zinc/98/91/16/411989116.db2.gz SNGKUCVDDJZGOT-UHFFFAOYSA-N 0 1 238.718 2.270 20 0 BEADMN CC/C=C\CCN1CCc2nccnc2C1 ZINC000662120584 411991797 /nfs/dbraw/zinc/99/17/97/411991797.db2.gz GEURBAKCWSDDCW-ARJAWSKDSA-N 0 1 217.316 2.191 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cnns1 ZINC000662129200 411996142 /nfs/dbraw/zinc/99/61/42/411996142.db2.gz YULOLZKACBKFLL-PBINXNQUSA-N 0 1 223.345 2.301 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)c1cccn1C ZINC000662131328 411996579 /nfs/dbraw/zinc/99/65/79/411996579.db2.gz MNJYFULJEZHHFV-YHWZYXNKSA-N 0 1 246.354 2.471 20 0 BEADMN Cn1cc(CN2CCCC[C@H]2CC2CCC2)nn1 ZINC000662155581 412011544 /nfs/dbraw/zinc/01/15/44/412011544.db2.gz GJDTVTRLUXFNCS-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN CCC(CC)CCC[N@@H+](C)Cc1n[nH]c(=O)[n-]1 ZINC000662037022 411951895 /nfs/dbraw/zinc/95/18/95/411951895.db2.gz JZPYEHJMCGKVOR-UHFFFAOYSA-N 0 1 240.351 2.159 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C3CCC3)C2)n1C ZINC000662045500 411963505 /nfs/dbraw/zinc/96/35/05/411963505.db2.gz UMLONNPSTOYLCW-CYBMUJFWSA-N 0 1 248.374 2.136 20 0 BEADMN CC(C)[C@@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664817302 412025597 /nfs/dbraw/zinc/02/55/97/412025597.db2.gz BYZIGWSGCFJSAL-UONOGXRCSA-N 0 1 248.370 2.481 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1C(=O)[O-] ZINC000662211975 412025880 /nfs/dbraw/zinc/02/58/80/412025880.db2.gz LDGRHJWZRGSOBK-ZYHUDNBSSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662213333 412027429 /nfs/dbraw/zinc/02/74/29/412027429.db2.gz ZVAYPPRZCMYKOB-AAEUAGOBSA-N 0 1 233.311 2.339 20 0 BEADMN CC[N@@H+](CCc1ccc(C)cc1)[C@H](C)C(=O)[O-] ZINC000662217885 412029814 /nfs/dbraw/zinc/02/98/14/412029814.db2.gz VTILHQFMNLOBSJ-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN COCCCCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662223553 412031283 /nfs/dbraw/zinc/03/12/83/412031283.db2.gz PAVNBBFTZKZSPA-UHFFFAOYSA-N 0 1 245.363 2.236 20 0 BEADMN O=C([O-])CCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662232550 412031983 /nfs/dbraw/zinc/03/19/83/412031983.db2.gz YWQAOJZHCDAOGI-UHFFFAOYSA-N 0 1 245.322 2.472 20 0 BEADMN FCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000664863361 412035120 /nfs/dbraw/zinc/03/51/20/412035120.db2.gz VAVVBVJDMHFCHR-UHFFFAOYSA-N 0 1 246.245 2.286 20 0 BEADMN C[C@@H]1CN(CC2CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662241349 412036551 /nfs/dbraw/zinc/03/65/51/412036551.db2.gz JUWQAZNHHXUSGX-PSASIEDQSA-N 0 1 237.265 2.438 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000124084176 171008510 /nfs/dbraw/zinc/00/85/10/171008510.db2.gz ILWAVMOGVZKWHT-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN CC[C@@H]1CCN(Cc2c(Cl)cnn2C)C1 ZINC000187460091 171010754 /nfs/dbraw/zinc/01/07/54/171010754.db2.gz XGYUVLKBAIMQAU-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192618531 171014408 /nfs/dbraw/zinc/01/44/08/171014408.db2.gz QHOMXFSGHQVYCT-WDEREUQCSA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192618531 171014409 /nfs/dbraw/zinc/01/44/09/171014409.db2.gz QHOMXFSGHQVYCT-WDEREUQCSA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc(OC)cn1 ZINC000292359863 171024460 /nfs/dbraw/zinc/02/44/60/171024460.db2.gz IBEZINAGSZHJRN-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN CCn1ncnc1CN(CCC1CC1)CC1CC1 ZINC000662178549 412022030 /nfs/dbraw/zinc/02/20/30/412022030.db2.gz XPSCMJIRCLLYDQ-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CN(CC1=CCSC1)Cc1cccnc1 ZINC000662269161 412061384 /nfs/dbraw/zinc/06/13/84/412061384.db2.gz ZWVTXZHYVINXKP-UHFFFAOYSA-N 0 1 220.341 2.187 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)CCC(C)C)C[C@H](C)O1 ZINC000361244415 171086125 /nfs/dbraw/zinc/08/61/25/171086125.db2.gz LVBFCDWOERCZHX-BFHYXJOUSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H](C)O1 ZINC000272303205 171087567 /nfs/dbraw/zinc/08/75/67/171087567.db2.gz JEFNQAOUZJFRTI-SWLSCSKDSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@H]1CN(Cc2conc2C)CCS1 ZINC000295262424 171091385 /nfs/dbraw/zinc/09/13/85/171091385.db2.gz HAGSGZRAUNRRMC-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN CC[C@@H]1CN(Cc2cnn(C)c2C)CCS1 ZINC000269040833 171092558 /nfs/dbraw/zinc/09/25/58/171092558.db2.gz VGYVSBXJQHNIFL-GFCCVEGCSA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1cccnc1 ZINC000265128967 171112209 /nfs/dbraw/zinc/11/22/09/171112209.db2.gz MMGCCAKPBFQLMX-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1ncn(C)n1 ZINC000245604088 171126086 /nfs/dbraw/zinc/12/60/86/171126086.db2.gz QEMNTCWJRSMAGQ-IJLUTSLNSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@](C)(O)CN[C@@H](C)c1c(F)cncc1F ZINC000285636446 171184580 /nfs/dbraw/zinc/18/45/80/171184580.db2.gz LAAUEQQLADVPBN-QPUJVOFHSA-N 0 1 244.285 2.171 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H](O)c2ccccc2)CCO1 ZINC000248874775 171203446 /nfs/dbraw/zinc/20/34/46/171203446.db2.gz CGDSACOKRDZNGL-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@]1(C)COCCN1CCOC(C)(C)C ZINC000336687973 171204266 /nfs/dbraw/zinc/20/42/66/171204266.db2.gz YAVVMCMLMOPLIM-ZDUSSCGKSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@H](C(=O)N1C[C@H](C)c2ccccc21)N(C)C ZINC000124820857 171226293 /nfs/dbraw/zinc/22/62/93/171226293.db2.gz QTCHVIXOAYZYSN-WCQYABFASA-N 0 1 246.354 2.477 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(C)c(F)c1)N(C)C ZINC000124462654 171234073 /nfs/dbraw/zinc/23/40/73/171234073.db2.gz YLYKZMDRRUJIIB-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C ZINC000359217287 171234440 /nfs/dbraw/zinc/23/44/40/171234440.db2.gz KDNRSWBBOYPOPX-LLVKDONJSA-N 0 1 242.269 2.244 20 0 BEADMN CC[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270800426 171253346 /nfs/dbraw/zinc/25/33/46/171253346.db2.gz WJJPQHJTMLNGJJ-IUCAKERBSA-N 0 1 238.335 2.151 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000354470109 171265063 /nfs/dbraw/zinc/26/50/63/171265063.db2.gz OEFYLQRCYLENIS-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000354380864 171266103 /nfs/dbraw/zinc/26/61/03/171266103.db2.gz IVNBIHOZWMUJGR-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)NCc1cn[nH]c1C ZINC000285331026 171267478 /nfs/dbraw/zinc/26/74/78/171267478.db2.gz GDSZMQWWVCQPDW-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228085884 171271128 /nfs/dbraw/zinc/27/11/28/171271128.db2.gz AGKURVYBMAQLFZ-FZMZJTMJSA-N 0 1 248.370 2.499 20 0 BEADMN CC[C@H](C)CN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352892755 171282289 /nfs/dbraw/zinc/28/22/89/171282289.db2.gz KTBANGLXFQUNQU-ASHKBJFXSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@H](C)N(CCCCCF)CC(=O)OC ZINC000342152043 171313582 /nfs/dbraw/zinc/31/35/82/171313582.db2.gz BIDNXSSNNOHXGT-NSHDSACASA-N 0 1 233.327 2.400 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000356808152 171360144 /nfs/dbraw/zinc/36/01/44/171360144.db2.gz XJRFWGREDJTPFR-HBNTYKKESA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000299159811 171363657 /nfs/dbraw/zinc/36/36/57/171363657.db2.gz QMQSYUKYRFVOKE-DTWKUNHWSA-N 0 1 235.331 2.063 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nccc(C)n1 ZINC000336750177 171365489 /nfs/dbraw/zinc/36/54/89/171365489.db2.gz DRHOQTBADSQERU-GXSJLCMTSA-N 0 1 207.321 2.309 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@H](C)c1nnc(C)o1 ZINC000248596073 171366894 /nfs/dbraw/zinc/36/68/94/171366894.db2.gz SVDDKJPPAVFELF-DJLDLDEBSA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](C)[C@@H](C)Nc1ccncc1C(N)=O ZINC000302221355 171367288 /nfs/dbraw/zinc/36/72/88/171367288.db2.gz MMHTZLNSFITHOI-DTWKUNHWSA-N 0 1 221.304 2.027 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1nccs1 ZINC000091724054 171378573 /nfs/dbraw/zinc/37/85/73/171378573.db2.gz BJNUBESFDWHYDB-GUBZILKMSA-N 0 1 228.361 2.201 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358745519 171384174 /nfs/dbraw/zinc/38/41/74/171384174.db2.gz XVPFTZVIKQAOQD-RVMXOQNASA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)N(CC(=O)OC)C1CC1 ZINC000104966088 171386021 /nfs/dbraw/zinc/38/60/21/171386021.db2.gz CLPUWXUOWMFOGQ-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@H](C)[C@H](CN[C@H](C)c1cnccn1)OC ZINC000294081508 171393442 /nfs/dbraw/zinc/39/34/42/171393442.db2.gz AGBMRPBJJFAHKM-LOWVWBTDSA-N 0 1 237.347 2.188 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000229305023 487622288 /nfs/dbraw/zinc/62/22/88/487622288.db2.gz JJWVYSDGDJARCW-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1noc([C@@H](C)N(C)C[C@@H]2CC2(C)C)n1 ZINC000662348884 412117806 /nfs/dbraw/zinc/11/78/06/412117806.db2.gz XOZUUCJSRHKBDH-SCZZXKLOSA-N 0 1 223.320 2.417 20 0 BEADMN CCCn1nc(C)c(-c2nnc(C)[nH]2)c1C ZINC000665194149 412129095 /nfs/dbraw/zinc/12/90/95/412129095.db2.gz YAJADCJCTAARGT-UHFFFAOYSA-N 0 1 219.292 2.003 20 0 BEADMN Cc1nc(CN2CC3CC2(C)C3)oc1C ZINC000662382555 412133613 /nfs/dbraw/zinc/13/36/13/412133613.db2.gz YXCQGRRMURMYKA-UHFFFAOYSA-N 0 1 206.289 2.276 20 0 BEADMN CC12CC(C1)CN2Cc1cn2ccccc2n1 ZINC000662381295 412134623 /nfs/dbraw/zinc/13/46/23/412134623.db2.gz OTYYBRLQDMBERA-UHFFFAOYSA-N 0 1 227.311 2.319 20 0 BEADMN CC(C)c1cccc(C(=O)N2CCNC[C@H]2C)c1 ZINC000662405350 412152064 /nfs/dbraw/zinc/15/20/64/412152064.db2.gz XXRQEYPYGKFKOU-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN Cc1nccnc1[C@@H](C)NCc1cccc(N)c1 ZINC000665232853 412172681 /nfs/dbraw/zinc/17/26/81/412172681.db2.gz WIZUNNAJGNLSGD-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN NCc1cc(C(=O)NCCCC2CCC2)co1 ZINC000662665487 412265137 /nfs/dbraw/zinc/26/51/37/412265137.db2.gz JSFBXNSEPILSMN-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN Cn1ccnc1CN1CC[C@H](C2CCC2)C1 ZINC000665286832 412233269 /nfs/dbraw/zinc/23/32/69/412233269.db2.gz VKIQJGRGQDBRDC-LBPRGKRZSA-N 0 1 219.332 2.042 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000294191404 171635567 /nfs/dbraw/zinc/63/55/67/171635567.db2.gz XGOBHVVDJYERPQ-VIFPVBQESA-N 0 1 221.304 2.158 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000662853894 412324752 /nfs/dbraw/zinc/32/47/52/412324752.db2.gz JYIXVWDXZWWIAK-DOMZBBRYSA-N 0 1 248.370 2.413 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC000175119164 171751376 /nfs/dbraw/zinc/75/13/76/171751376.db2.gz HPLRLNDXKFXYLY-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1ccc(CNCc2ccc(CO)cc2)o1 ZINC000133072653 412396117 /nfs/dbraw/zinc/39/61/17/412396117.db2.gz KACXSZZTSVSUOS-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN C1[C@@H]2C[C@H](c3nc([C@H]4CCCN4)no3)C[C@H]12 ZINC000663251304 412401451 /nfs/dbraw/zinc/40/14/51/412401451.db2.gz LBLXQAQYULCOCA-XFWSIPNHSA-N 0 1 219.288 2.008 20 0 BEADMN CC[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000663289830 412411342 /nfs/dbraw/zinc/41/13/42/412411342.db2.gz XFVRIBVNNKQZAP-KGLIPLIRSA-N 0 1 246.354 2.380 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C(C)C)C2)n[nH]1 ZINC000674810793 487623493 /nfs/dbraw/zinc/62/34/93/487623493.db2.gz OAPOUDSHOVIDTC-LLVKDONJSA-N 0 1 249.358 2.480 20 0 BEADMN CCc1nc(CNC(C)(C)c2ccccc2)n[nH]1 ZINC000274660618 171985297 /nfs/dbraw/zinc/98/52/97/171985297.db2.gz PLSPEXDJDOFZCR-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN CCc1nc([C@H](C)NC[C@@H](C)OC)cs1 ZINC000184712712 172005338 /nfs/dbraw/zinc/00/53/38/172005338.db2.gz QVLVJHDJFKKINF-BDAKNGLRSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nn(C)c(Cl)c1CN1CCCC1 ZINC000116333409 172037147 /nfs/dbraw/zinc/03/71/47/172037147.db2.gz ILPWXKGYYUJLJM-UHFFFAOYSA-N 0 1 227.739 2.232 20 0 BEADMN CCc1nnc(CN(CC2CC2)CC2CC2)o1 ZINC000115563766 172048487 /nfs/dbraw/zinc/04/84/87/172048487.db2.gz BCQLLLOJDJYSMF-UHFFFAOYSA-N 0 1 235.331 2.254 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C2CC2)o1 ZINC000377533020 172050155 /nfs/dbraw/zinc/05/01/55/172050155.db2.gz DRZKIHUXNQGHTA-JTQLQIEISA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CN[C@@H](C)C2CCCC2)o1 ZINC000184612126 172051983 /nfs/dbraw/zinc/05/19/83/172051983.db2.gz IVVLPYOYHUMMCL-VIFPVBQESA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nnc(CN[C@@H](C)C(C)(C)OC)s1 ZINC000340386121 172052481 /nfs/dbraw/zinc/05/24/81/172052481.db2.gz AFDWCXWOKGXYOD-QMMMGPOBSA-N 0 1 243.376 2.004 20 0 BEADMN CCc1nnc(CN[C@@H](C)C2(C)CC2)s1 ZINC000336762940 172052636 /nfs/dbraw/zinc/05/26/36/172052636.db2.gz OKECHOVWAAAKKH-QMMMGPOBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H](C)[C@@H]2C)s1 ZINC000336755782 172054214 /nfs/dbraw/zinc/05/42/14/172054214.db2.gz IHRKENTULNJBBZ-XHNCKOQMSA-N 0 1 225.361 2.235 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC[C@@H]2CC)o1 ZINC000309994916 172054252 /nfs/dbraw/zinc/05/42/52/172054252.db2.gz BXSOUBNXXJHSIU-VHSXEESVSA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nocc1CN(C)CCCSC ZINC000293538946 172093633 /nfs/dbraw/zinc/09/36/33/172093633.db2.gz XUZZWPHJXHZHEK-UHFFFAOYSA-N 0 1 228.361 2.422 20 0 BEADMN CCc1nc(S[C@H](C)c2cnccn2)n[nH]1 ZINC000185629935 172064818 /nfs/dbraw/zinc/06/48/18/172064818.db2.gz BVLSUSHTGZZOLB-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1n[nH]c(S[C@H](C)c2cnccn2)n1 ZINC000185629935 172064821 /nfs/dbraw/zinc/06/48/21/172064821.db2.gz BVLSUSHTGZZOLB-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C)[C@H]2C)o1 ZINC000361340520 172066171 /nfs/dbraw/zinc/06/61/71/172066171.db2.gz FPRAUSSLRVQKKY-BBBLOLIVSA-N 0 1 223.320 2.423 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C)[C@@H]2C)o1 ZINC000361340522 172066223 /nfs/dbraw/zinc/06/62/23/172066223.db2.gz FPRAUSSLRVQKKY-UTLUCORTSA-N 0 1 223.320 2.423 20 0 BEADMN CCc1noc(C)c1CN[C@@H](C)COC(C)C ZINC000339439754 172079910 /nfs/dbraw/zinc/07/99/10/172079910.db2.gz TVZIBCNUMMKFMP-JTQLQIEISA-N 0 1 240.347 2.449 20 0 BEADMN CCc1noc([C@H](C)N2C[C@H](C)[C@@H](C)C2)n1 ZINC000362428760 172091293 /nfs/dbraw/zinc/09/12/93/172091293.db2.gz CNYHOVJHGAVRJQ-GUBZILKMSA-N 0 1 223.320 2.281 20 0 BEADMN CCc1nocc1CN(C)CCSC ZINC000293359969 172093143 /nfs/dbraw/zinc/09/31/43/172093143.db2.gz IIPWEVGSYPLYHM-UHFFFAOYSA-N 0 1 214.334 2.032 20 0 BEADMN CCc1nocc1CN1CCCO[C@H](CC)C1 ZINC000353333760 172097349 /nfs/dbraw/zinc/09/73/49/172097349.db2.gz STYBXNCXSQJHJP-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1nocc1CNCCOCCC(C)C ZINC000339211207 172100007 /nfs/dbraw/zinc/10/00/07/172100007.db2.gz FZTUFXYUQYJJMJ-UHFFFAOYSA-N 0 1 240.347 2.389 20 0 BEADMN CCn1cc(CN2CCC23CCC3)cn1 ZINC000336527709 172163018 /nfs/dbraw/zinc/16/30/18/172163018.db2.gz PWHRYFZTSZHYTP-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN CCn1cc(CN[C@@H](C)c2ccncc2)cn1 ZINC000050539512 172174759 /nfs/dbraw/zinc/17/47/59/172174759.db2.gz XUUPEOFXGQEORE-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccn(C)c2)cn1 ZINC000158530884 172194947 /nfs/dbraw/zinc/19/49/47/172194947.db2.gz LFWFLTLJINAIBI-LLVKDONJSA-N 0 1 232.331 2.092 20 0 BEADMN CCn1ccnc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000367459666 172220096 /nfs/dbraw/zinc/22/00/96/172220096.db2.gz VIDYGCBLLRRPLG-CHWSQXEVSA-N 0 1 249.358 2.046 20 0 BEADMN CCn1nccc1CN(C)CC[C@H](C)F ZINC000352342820 172265054 /nfs/dbraw/zinc/26/50/54/172265054.db2.gz YZBUBAOUKBOPNS-JTQLQIEISA-N 0 1 213.300 2.083 20 0 BEADMN CN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000177283679 172327929 /nfs/dbraw/zinc/32/79/29/172327929.db2.gz HUOBUZBEAYCRBN-LLVKDONJSA-N 0 1 247.342 2.231 20 0 BEADMN CN(C(=O)c1cnccc1N)C1CCCCC1 ZINC000126965677 172346743 /nfs/dbraw/zinc/34/67/43/172346743.db2.gz MGNSILHJFCJTHJ-UHFFFAOYSA-N 0 1 233.315 2.069 20 0 BEADMN CN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000046456427 172387673 /nfs/dbraw/zinc/38/76/73/172387673.db2.gz JSUHOJQKVBDFSG-UHFFFAOYSA-N 0 1 249.701 2.432 20 0 BEADMN CN(C)C(=O)c1ccc(O)c(C(F)(F)F)c1 ZINC000095711542 172389437 /nfs/dbraw/zinc/38/94/37/172389437.db2.gz NJLXBVPULIBFEZ-UHFFFAOYSA-N 0 1 233.189 2.113 20 0 BEADMN CCCn1nccc1CNCCC(F)(F)F ZINC000164843386 487624777 /nfs/dbraw/zinc/62/47/77/487624777.db2.gz MDIBXKLQLKFPIY-UHFFFAOYSA-N 0 1 235.253 2.335 20 0 BEADMN CC(C)OCCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662224330 487626285 /nfs/dbraw/zinc/62/62/85/487626285.db2.gz WSGXZOPEMJAHMD-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CN1CCC[C@H]1C(=O)NCCC1CCCCC1 ZINC000354155453 173050171 /nfs/dbraw/zinc/05/01/71/173050171.db2.gz MSUBMIOIHHPKKM-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@H]1C(=O)NC[C@H]1CCCC1(C)C ZINC000360853931 173050802 /nfs/dbraw/zinc/05/08/02/173050802.db2.gz SNSWSBYYNQGWOW-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000038276782 173092286 /nfs/dbraw/zinc/09/22/86/173092286.db2.gz YTQAXFTYORYZLY-OAHLLOKOSA-N 0 1 248.345 2.451 20 0 BEADMN CNC(=O)CNCc1ccc(C2CCCC2)cc1 ZINC000291221780 173277342 /nfs/dbraw/zinc/27/73/42/173277342.db2.gz OYWIGPGNLLEFKF-UHFFFAOYSA-N 0 1 246.354 2.180 20 0 BEADMN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000058181881 173303212 /nfs/dbraw/zinc/30/32/12/173303212.db2.gz AHWBIEZSYRQPOH-IUCAKERBSA-N 0 1 240.734 2.125 20 0 BEADMN CNC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000058181868 173303363 /nfs/dbraw/zinc/30/33/63/173303363.db2.gz YDUNECVVVTZWCS-BDAKNGLRSA-N 0 1 240.734 2.125 20 0 BEADMN CNCc1nc(-c2cccc(Cl)c2)no1 ZINC000034938194 173394748 /nfs/dbraw/zinc/39/47/48/173394748.db2.gz CXKVXFIBEHNILV-UHFFFAOYSA-N 0 1 223.663 2.109 20 0 BEADMN CNCc1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000045894472 173395424 /nfs/dbraw/zinc/39/54/24/173395424.db2.gz BKCUJNMCGANJQQ-UHFFFAOYSA-N 0 1 247.298 2.243 20 0 BEADMN COC(=O)c1occc1CN1C[C@H](C)[C@@H](C)C1 ZINC000267653422 173920993 /nfs/dbraw/zinc/92/09/93/173920993.db2.gz LMVQUBAHDBTPMB-UWVGGRQHSA-N 0 1 237.299 2.154 20 0 BEADMN COCC(C)(C)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355230720 174070242 /nfs/dbraw/zinc/07/02/42/174070242.db2.gz YRGPXUCARSNKFI-YPMHNXCESA-N 0 1 241.375 2.158 20 0 BEADMN COCC(C)(C)N(C)Cc1ccc(F)cn1 ZINC000292409715 174078210 /nfs/dbraw/zinc/07/82/10/174078210.db2.gz UNBGGVWBDFRUSG-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN COCC1(NCc2nc(C)cs2)CCC1 ZINC000283818049 174111204 /nfs/dbraw/zinc/11/12/04/174111204.db2.gz CKTVZWFGMVRHNH-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN COCC1=CCN(Cc2cnc(C)s2)CC1 ZINC000187694279 174116287 /nfs/dbraw/zinc/11/62/87/174116287.db2.gz KFCCNFYBCFNJGH-UHFFFAOYSA-N 0 1 238.356 2.230 20 0 BEADMN COCC1=CCN(Cc2ccc(C)cn2)CC1 ZINC000360764661 174117657 /nfs/dbraw/zinc/11/76/57/174117657.db2.gz NQGUEUGHPBCVLJ-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCC1=CCN(Cc2ncccc2C)CC1 ZINC000185862660 174118056 /nfs/dbraw/zinc/11/80/56/174118056.db2.gz QOENIGRNUOZRQK-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCC1CCN(Cc2ccc(F)cn2)CC1 ZINC000276377408 174119788 /nfs/dbraw/zinc/11/97/88/174119788.db2.gz PPIQWWKLATTWBN-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN COCCC1(C)CN(Cc2occc2C)C1 ZINC000297461417 174152352 /nfs/dbraw/zinc/15/23/52/174152352.db2.gz RNWDPEFGKCHVHN-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN COCCCN1CCO[C@H](c2ccccc2)C1 ZINC000298699380 174231294 /nfs/dbraw/zinc/23/12/94/174231294.db2.gz GVJQTBODUXZSLZ-AWEZNQCLSA-N 0 1 235.327 2.096 20 0 BEADMN COCCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000125499482 174249172 /nfs/dbraw/zinc/24/91/72/174249172.db2.gz DZQSVDZPLNDOOX-ZDUSSCGKSA-N 0 1 245.326 2.125 20 0 BEADMN COCCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125499671 174251599 /nfs/dbraw/zinc/25/15/99/174251599.db2.gz DZQSVDZPLNDOOX-CYBMUJFWSA-N 0 1 245.326 2.125 20 0 BEADMN COCCC[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000368425922 174261262 /nfs/dbraw/zinc/26/12/62/174261262.db2.gz SQVAVZUBSYHVBJ-ZYHUDNBSSA-N 0 1 237.347 2.192 20 0 BEADMN COCCN(C)Cc1ccc(Cl)cc1OC ZINC000280500392 174281107 /nfs/dbraw/zinc/28/11/07/174281107.db2.gz PPHSQOPTUBEQHI-UHFFFAOYSA-N 0 1 243.734 2.427 20 0 BEADMN COCCN(Cc1cnc[nH]1)Cc1ccccc1 ZINC000179590900 174299300 /nfs/dbraw/zinc/29/93/00/174299300.db2.gz PRNNQMVZWASAEQ-UHFFFAOYSA-N 0 1 245.326 2.058 20 0 BEADMN COCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000125922217 174338732 /nfs/dbraw/zinc/33/87/32/174338732.db2.gz MBOIERJTUAJFSB-LLVKDONJSA-N 0 1 227.254 2.188 20 0 BEADMN COCC[C@@H](C)NCc1noc2c1CCCC2 ZINC000376610084 174384428 /nfs/dbraw/zinc/38/44/28/174384428.db2.gz LQZCUSVMYNWJKR-SNVBAGLBSA-N 0 1 238.331 2.068 20 0 BEADMN COC[C@H]1CCN1Cc1cccc(C)c1F ZINC000295927872 174610490 /nfs/dbraw/zinc/61/04/90/174610490.db2.gz FKHLJZCBBYPVPQ-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cccc(OC[C@H](C)NCc2cc[nH]n2)c1 ZINC000066989187 1173064535 /nfs/dbraw/zinc/06/45/35/1173064535.db2.gz OPIFXSAPODRXQP-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000337499865 174868823 /nfs/dbraw/zinc/86/88/23/174868823.db2.gz ZYWYRHGJSKTINL-WCQYABFASA-N 0 1 239.363 2.050 20 0 BEADMN COc1cc([C@@H](C)NCCF)ccc1F ZINC000308824263 175014705 /nfs/dbraw/zinc/01/47/05/175014705.db2.gz QVCDKCQRDBIUIJ-MRVPVSSYSA-N 0 1 215.243 2.454 20 0 BEADMN COc1ccc(CN[C@@H]2CCC[C@H]2F)cc1O ZINC000339586328 175109991 /nfs/dbraw/zinc/10/99/91/175109991.db2.gz IKXQZFGBTUQKHR-GHMZBOCLSA-N 0 1 239.290 2.381 20 0 BEADMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1F ZINC000229883518 175111412 /nfs/dbraw/zinc/11/14/12/175111412.db2.gz DIIPEMYMOWCTLR-SECBINFHSA-N 0 1 249.289 2.408 20 0 BEADMN COc1ccc(F)c(CN(C)CC(C)(C)O)c1 ZINC000295482108 175123972 /nfs/dbraw/zinc/12/39/72/175123972.db2.gz XFKQEPOXBQFANM-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(NC(=O)CN2CCC[C@@H]2C)cc1 ZINC000154455085 175142719 /nfs/dbraw/zinc/14/27/19/175142719.db2.gz BZNOGCNLHTUHNC-NSHDSACASA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccc(NCc2cn[nH]c2C)cc1F ZINC000036901744 175151495 /nfs/dbraw/zinc/15/14/95/175151495.db2.gz LNNYRGFDDHVIRL-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc([C@@H](C)NCCF)cc1O ZINC000290026779 175177168 /nfs/dbraw/zinc/17/71/68/175177168.db2.gz ATUFNRIEEPRYRB-MRVPVSSYSA-N 0 1 213.252 2.021 20 0 BEADMN COc1cccc(CSCc2c[nH]nn2)c1 ZINC000287664323 175271017 /nfs/dbraw/zinc/27/10/17/175271017.db2.gz XQMFRSHDQZJDJQ-UHFFFAOYSA-N 0 1 235.312 2.247 20 0 BEADMN COc1cccc(NC(=O)CN2CCC[C@@H]2C)c1 ZINC000154446311 175276085 /nfs/dbraw/zinc/27/60/85/175276085.db2.gz PJPUVJGLPVKRKI-NSHDSACASA-N 0 1 248.326 2.118 20 0 BEADMN COc1cccc(NCc2cnc[nH]2)c1 ZINC000054763376 175279345 /nfs/dbraw/zinc/27/93/45/175279345.db2.gz FSZKIXMXGMEUDY-UHFFFAOYSA-N 0 1 203.245 2.030 20 0 BEADMN COc1cccc([C@H](C)NC(=O)C(F)(F)F)c1 ZINC000112020901 175292742 /nfs/dbraw/zinc/29/27/42/175292742.db2.gz HOOPVPAGYXYAPP-ZETCQYMHSA-N 0 1 247.216 2.435 20 0 BEADMN COc1ccccc1-c1cc([C@@H](C)N)on1 ZINC000082368584 175309157 /nfs/dbraw/zinc/30/91/57/175309157.db2.gz OJQKKHBYXHULJL-MRVPVSSYSA-N 0 1 218.256 2.370 20 0 BEADMN COc1ccccc1CNCc1c(C)cnn1C ZINC000285568358 175329792 /nfs/dbraw/zinc/32/97/92/175329792.db2.gz WBIVDCIFBMUNFJ-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN COc1ccccc1[C@H](C)NC(=O)C(F)(F)F ZINC000070266781 175350756 /nfs/dbraw/zinc/35/07/56/175350756.db2.gz QVYAEANAOYKSCB-ZETCQYMHSA-N 0 1 247.216 2.435 20 0 BEADMN COc1ccnc(CN2CCC(C)CC2)c1 ZINC000106859356 175358852 /nfs/dbraw/zinc/35/88/52/175358852.db2.gz UXVIRKCVVXXSTM-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN COc1ccnc(CN2[C@H](C)C[C@H]2C)c1 ZINC000336567587 175360600 /nfs/dbraw/zinc/36/06/00/175360600.db2.gz MVDVTQPKEDDWKP-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN COc1ccnc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC000368069234 175360747 /nfs/dbraw/zinc/36/07/47/175360747.db2.gz FIXKKIBWAUWHNR-BXUZGUMPSA-N 0 1 232.327 2.465 20 0 BEADMN COc1ccsc1CN[C@@H](C)CF ZINC000288457222 175378383 /nfs/dbraw/zinc/37/83/83/175378383.db2.gz NPOGCNNNDGNXDW-ZETCQYMHSA-N 0 1 203.282 2.204 20 0 BEADMN COc1cncc(CN[C@@H](C)c2cccnc2)c1 ZINC000290097207 175385009 /nfs/dbraw/zinc/38/50/09/175385009.db2.gz XKIQXQPORUCUAW-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COc1ncc(CN2CCC(C)=C(C)C2)c(C)n1 ZINC000337218276 175399099 /nfs/dbraw/zinc/39/90/99/175399099.db2.gz AWADAGIDAISNBY-UHFFFAOYSA-N 0 1 247.342 2.336 20 0 BEADMN COc1nccnc1CN1CC[C@@H](C)C[C@H]1C ZINC000294972585 175411921 /nfs/dbraw/zinc/41/19/21/175411921.db2.gz WYHJEZIFAXUART-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CSC[C@@H](C)NCc1ncc(C)s1 ZINC000295806084 175512994 /nfs/dbraw/zinc/51/29/94/175512994.db2.gz SZECADYKRHXLTH-SSDOTTSWSA-N 0 1 216.375 2.293 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC[C@H]2C)s1 ZINC000289023729 176000752 /nfs/dbraw/zinc/00/07/52/176000752.db2.gz AVXOFUWCRYSTJG-RKDXNWHRSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@@H](O)c1ncc(CN(C)CCC2CC2)s1 ZINC000289058543 176000995 /nfs/dbraw/zinc/00/09/95/176000995.db2.gz BTWZGDDFCPIKNW-SECBINFHSA-N 0 1 240.372 2.428 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N(C)C1CC(O)C1 ZINC000336550759 176013073 /nfs/dbraw/zinc/01/30/73/176013073.db2.gz VTUGTFYMSHYQBN-PUSIOWJLSA-N 0 1 241.281 2.481 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)CCn1cncn1 ZINC000264159453 176025239 /nfs/dbraw/zinc/02/52/39/176025239.db2.gz XYAOQYGNDQAHMB-NSHDSACASA-N 0 1 248.305 2.110 20 0 BEADMN C[C@@H](c1cccs1)N(C)C(=O)c1cnc[nH]1 ZINC000299635672 176032830 /nfs/dbraw/zinc/03/28/30/176032830.db2.gz LXIBUXOVXOKOAH-QMMMGPOBSA-N 0 1 235.312 2.304 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCc1cn[nH]c1 ZINC000290077732 176034465 /nfs/dbraw/zinc/03/44/65/176034465.db2.gz QJTPUQRTYQWYHO-NSHDSACASA-N 0 1 230.315 2.040 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000283944717 176034531 /nfs/dbraw/zinc/03/45/31/176034531.db2.gz LADQWLZYNKHTIC-WCQYABFASA-N 0 1 236.359 2.481 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000091987353 176034643 /nfs/dbraw/zinc/03/46/43/176034643.db2.gz JXNGFIBNQMTURO-WCQYABFASA-N 0 1 248.326 2.028 20 0 BEADMN C[C@@H]1CCCC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000031945144 176074412 /nfs/dbraw/zinc/07/44/12/176074412.db2.gz FBWHVTQWCBZZRH-MRVPVSSYSA-N 0 1 240.328 2.216 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000031945144 176074414 /nfs/dbraw/zinc/07/44/14/176074414.db2.gz FBWHVTQWCBZZRH-MRVPVSSYSA-N 0 1 240.328 2.216 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN1CC[S@](=O)[C@H](C)C1 ZINC000346181986 176076872 /nfs/dbraw/zinc/07/68/72/176076872.db2.gz VWVSJQDWABJBFX-JXFSHQFZSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NCc1csnn1 ZINC000036901934 176081524 /nfs/dbraw/zinc/08/15/24/176081524.db2.gz DKPPSBRFSYTRAA-SCZZXKLOSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC(=O)[O-] ZINC000042608461 176086103 /nfs/dbraw/zinc/08/61/03/176086103.db2.gz NAWPTNGHEDTYOC-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)c1ccccc1 ZINC000034651142 176087341 /nfs/dbraw/zinc/08/73/41/176087341.db2.gz WSBQEESNWKTLSS-MRVWCRGKSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000298596419 176087398 /nfs/dbraw/zinc/08/73/98/176087398.db2.gz XFNGJVXKFKWUQR-MWLCHTKSSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCC1 ZINC000043304401 176087551 /nfs/dbraw/zinc/08/75/51/176087551.db2.gz LUQOKKWIPNCUBN-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000163497896 176094972 /nfs/dbraw/zinc/09/49/72/176094972.db2.gz LGLPWMUANHUNHJ-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2coc(CN)c2)CC1 ZINC000187546200 176096708 /nfs/dbraw/zinc/09/67/08/176096708.db2.gz FJQNYZRGUXGBSQ-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2CCCC2)[C@H]1C(=O)[O-] ZINC000300275862 176097020 /nfs/dbraw/zinc/09/70/20/176097020.db2.gz YGMRWGRTMRUBAP-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccsc2)[C@H]1C(=O)[O-] ZINC000300229366 176102479 /nfs/dbraw/zinc/10/24/79/176102479.db2.gz XHLVBHBDGFXKMG-MWLCHTKSSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1CCCN1Cc1ccc([S@](C)=O)cc1 ZINC000124390698 176109849 /nfs/dbraw/zinc/10/98/49/176109849.db2.gz PYOGYIGPHXYUMB-BDJLRTHQSA-N 0 1 237.368 2.408 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(Cc2nnnn2C2CC2)C1 ZINC000125432322 176114224 /nfs/dbraw/zinc/11/42/24/176114224.db2.gz WNESGXZHJQBDRB-GHMZBOCLSA-N 0 1 249.362 2.019 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H]2CCCN2C)C1 ZINC000357434823 176114351 /nfs/dbraw/zinc/11/43/51/176114351.db2.gz GLKJGBLLAUEDEW-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H]2CCCN2C)C1 ZINC000357434825 176114857 /nfs/dbraw/zinc/11/48/57/176114857.db2.gz GLKJGBLLAUEDEW-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@](F)(CO)C2)C1 ZINC000338597895 176117843 /nfs/dbraw/zinc/11/78/43/176117843.db2.gz YXZIZFMKJIXFSS-JHJVBQTASA-N 0 1 229.339 2.219 20 0 BEADMN C[C@@H]1CCC[C@H](COCCc2c[nH]nn2)C1 ZINC000331239317 176139250 /nfs/dbraw/zinc/13/92/50/176139250.db2.gz JZYLFPZUWFEECA-MNOVXSKESA-N 0 1 223.320 2.190 20 0 BEADMN C[C@@H](O)c1ncc(CN2CC[C@@H](C)C2)s1 ZINC000289171514 176177578 /nfs/dbraw/zinc/17/75/78/176177578.db2.gz RWDQZTSMTHBJQP-RKDXNWHRSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)[C@H]1C ZINC000361344652 176179997 /nfs/dbraw/zinc/17/99/97/176179997.db2.gz FQTYMKQFTYEQMJ-GMTAPVOTSA-N 0 1 227.348 2.447 20 0 BEADMN C[C@@H]1CCN[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000127911221 176187489 /nfs/dbraw/zinc/18/74/89/176187489.db2.gz MHNGTJOSSKEZJI-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CCOCCN1Cc1ccccc1F ZINC000374982681 176189414 /nfs/dbraw/zinc/18/94/14/176189414.db2.gz UIMJNYCNZYXBMO-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1CC[C@@H](CN(C)Cc2cccnc2)O1 ZINC000190957487 176202584 /nfs/dbraw/zinc/20/25/84/176202584.db2.gz XTQSOFATEULDSI-YPMHNXCESA-N 0 1 220.316 2.081 20 0 BEADMN C[C@@H]1CC[C@@H](N(CCO)Cc2nccs2)C1 ZINC000356360961 176207418 /nfs/dbraw/zinc/20/74/18/176207418.db2.gz JHYUFGFMBLMRHB-GHMZBOCLSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CC[C@H](CN(C)Cc2ccco2)O1 ZINC000188536062 176224307 /nfs/dbraw/zinc/22/43/07/176224307.db2.gz AOXUODWTCMTLJV-ZYHUDNBSSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@H]1c1ccccc1 ZINC000173991737 176260728 /nfs/dbraw/zinc/26/07/28/176260728.db2.gz SUUFXBQUXRECLT-ZWNOBZJWSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1CN(CC(C)(C)O)C[C@@H](c2ccccc2)O1 ZINC000264414602 176284624 /nfs/dbraw/zinc/28/46/24/176284624.db2.gz HCGZMGHQSPWYIG-OCCSQVGLSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(CCCCOC(C)(C)C)CCO1 ZINC000339587062 176288520 /nfs/dbraw/zinc/28/85/20/176288520.db2.gz DZXGVNWWCOXTID-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)C[C@@H](C2CC2)O1 ZINC000279404075 176294281 /nfs/dbraw/zinc/29/42/81/176294281.db2.gz VJXJUYTXJXZWRC-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(Cc2cnc[nH]2)Cc2ccccc2O1 ZINC000292302059 176302381 /nfs/dbraw/zinc/30/23/81/176302381.db2.gz DFSMYNBYDLUGLU-LLVKDONJSA-N 0 1 243.310 2.193 20 0 BEADMN C[C@@H]1CN(Cc2cnns2)CC(C)(C)C1 ZINC000334675123 176310976 /nfs/dbraw/zinc/31/09/76/176310976.db2.gz GLXVAJIJFVWBAE-VIFPVBQESA-N 0 1 225.361 2.406 20 0 BEADMN C[C@@H]1COCCN1C[C@H]1CCOc2ccccc21 ZINC000364843405 176337853 /nfs/dbraw/zinc/33/78/53/176337853.db2.gz KZHDGYNWYGYLAC-CHWSQXEVSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1nccn1C(F)F ZINC000285864344 176353238 /nfs/dbraw/zinc/35/32/38/176353238.db2.gz IRMUKJYONYTRJH-SFYZADRCSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(CC(=O)c2cccn2C)C1 ZINC000035018622 176360725 /nfs/dbraw/zinc/36/07/25/176360725.db2.gz BCNYBJKPCPUDLZ-VXGBXAGGSA-N 0 1 234.343 2.186 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(C(=O)N(C)C)c1 ZINC000336622779 176363688 /nfs/dbraw/zinc/36/36/88/176363688.db2.gz OLFRHQFPOWUKJH-VXGBXAGGSA-N 0 1 246.354 2.371 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1ccc2c(c1)NC(=O)CO2 ZINC000336593483 176364132 /nfs/dbraw/zinc/36/41/32/176364132.db2.gz XEWYHDSXZJMQNR-NXEZZACHSA-N 0 1 246.310 2.000 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CC2(C)C)c2nccn21 ZINC000293835760 176379483 /nfs/dbraw/zinc/37/94/83/176379483.db2.gz BNYWLCGZVLQILW-OPRDCNLKSA-N 0 1 205.305 2.277 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)s1 ZINC000307287268 176382321 /nfs/dbraw/zinc/38/23/21/176382321.db2.gz UGUSMLOWYOQYDA-HTQZYQBOSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H](C[N@@H+](C)C/C=C/c1ccccc1)C(=O)[O-] ZINC000042704835 176652758 /nfs/dbraw/zinc/65/27/58/176652758.db2.gz GMOGINHDPBWFIB-UVMWJGKXSA-N 0 1 233.311 2.352 20 0 BEADMN OCc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000668299391 487634946 /nfs/dbraw/zinc/63/49/46/487634946.db2.gz CQWHKMNIXBHYBP-GWCFXTLKSA-N 0 1 221.300 2.146 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000129938502 177009499 /nfs/dbraw/zinc/00/94/99/177009499.db2.gz VITUTWVEIQHWFL-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@@H](C)C2)s1 ZINC000289171508 177019345 /nfs/dbraw/zinc/01/93/45/177019345.db2.gz RWDQZTSMTHBJQP-BDAKNGLRSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1CC[C@@](C)(O)C1 ZINC000178014612 177031389 /nfs/dbraw/zinc/03/13/89/177031389.db2.gz KOXHNZQVJXSORW-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N(C)C1CC(O)C1 ZINC000336550758 177031899 /nfs/dbraw/zinc/03/18/99/177031899.db2.gz VTUGTFYMSHYQBN-MFAVDMRSSA-N 0 1 241.281 2.481 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)[O-] ZINC000082413881 177032947 /nfs/dbraw/zinc/03/29/47/177032947.db2.gz GMGHGMDPRKEWAC-SSDOTTSWSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@](C)(O)C1 ZINC000267311254 177034344 /nfs/dbraw/zinc/03/43/44/177034344.db2.gz DJAODHJVCHROBB-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](c1ccccn1)N1CCSCC1 ZINC000177258249 177043409 /nfs/dbraw/zinc/04/34/09/177043409.db2.gz HIMXUPPNHKDBOT-SNVBAGLBSA-N 0 1 208.330 2.191 20 0 BEADMN C[C@H](c1cn(-c2ccccc2)nn1)N1CCCC1 ZINC000120839291 177051395 /nfs/dbraw/zinc/05/13/95/177051395.db2.gz FZMVLGBCYJLJEY-GFCCVEGCSA-N 0 1 242.326 2.424 20 0 BEADMN C[C@H](c1nc(-c2cccnc2)no1)N1CCCC1 ZINC000112975441 177052536 /nfs/dbraw/zinc/05/25/36/177052536.db2.gz PRNZVEHJXZRENW-SNVBAGLBSA-N 0 1 244.298 2.288 20 0 BEADMN C[C@H](c1nc(C2(N)CCC2)no1)C(C)(F)F ZINC000335478822 177053544 /nfs/dbraw/zinc/05/35/44/177053544.db2.gz NTFXCHHSFUCVRM-ZCFIWIBFSA-N 0 1 231.246 2.166 20 0 BEADMN C[C@@H](CN1CCNC(=O)[C@@H]1C)C1CCCCC1 ZINC000338956874 177059434 /nfs/dbraw/zinc/05/94/34/177059434.db2.gz WDCIXXSJCJVINS-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCCCCN1C(=O)c1coc(CN)c1 ZINC000336596997 177070462 /nfs/dbraw/zinc/07/04/62/177070462.db2.gz JWGQFPXQXHELDF-JTQLQIEISA-N 0 1 236.315 2.143 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@@H](N)c1ccccc1 ZINC000019437789 177073297 /nfs/dbraw/zinc/07/32/97/177073297.db2.gz NHEIHCUBZIFBJT-AAEUAGOBSA-N 0 1 232.327 2.087 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)c1cnccc1N ZINC000127346973 177086171 /nfs/dbraw/zinc/08/61/71/177086171.db2.gz WJHHNWCMTGIAQY-QWRGUYRKSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000094563928 177088351 /nfs/dbraw/zinc/08/83/51/177088351.db2.gz ZROOFGGVFYIPDP-GXSJLCMTSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000104359560 177094265 /nfs/dbraw/zinc/09/42/65/177094265.db2.gz IQGQXLZDQQPXSJ-GXTWGEPZSA-N 0 1 246.354 2.335 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000051330211 177100316 /nfs/dbraw/zinc/10/03/16/177100316.db2.gz RGASWJLSBDKPIR-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000127278564 177107859 /nfs/dbraw/zinc/10/78/59/177107859.db2.gz ASEXKLPORJCWGI-QMMMGPOBSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@H]1CCCN1C[C@H](O)c1cc(F)ccc1F ZINC000174421759 177108877 /nfs/dbraw/zinc/10/88/77/177108877.db2.gz HSSBERHPYCZFPU-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H]1CCCN1C[C@@H](O)c1c(F)cccc1F ZINC000247567950 177109266 /nfs/dbraw/zinc/10/92/66/177109266.db2.gz RLUCMSDUFHADED-JOYOIKCWSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+](CCCC(=O)[O-])C1 ZINC000131019252 177115188 /nfs/dbraw/zinc/11/51/88/177115188.db2.gz QPRHMTDQIARZSK-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1CCCC(=O)[O-] ZINC000131019862 177115447 /nfs/dbraw/zinc/11/54/47/177115447.db2.gz QPRHMTDQIARZSK-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)c2cnccc2N)CC1 ZINC000235694941 177121954 /nfs/dbraw/zinc/12/19/54/177121954.db2.gz ALSKJOULKMDWMU-WDEREUQCSA-N 0 1 247.342 2.362 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000119876708 177122605 /nfs/dbraw/zinc/12/26/05/177122605.db2.gz WDKXEUFLWWDSOM-VHSXEESVSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cc(=O)c(O)co1 ZINC000124513158 177132100 /nfs/dbraw/zinc/13/21/00/177132100.db2.gz IMUQIKXEYGEAFN-UWVGGRQHSA-N 0 1 237.299 2.108 20 0 BEADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc[nH]n2)C1 ZINC000180045599 177134421 /nfs/dbraw/zinc/13/44/21/177134421.db2.gz LILQDUZRWAMVAV-JQWIXIFHSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@H]1CCC[C@H](NCc2csnn2)C1 ZINC000037507486 177136853 /nfs/dbraw/zinc/13/68/53/177136853.db2.gz IDUWNJPRSOGHDT-IUCAKERBSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C ZINC000177009107 177152636 /nfs/dbraw/zinc/15/26/36/177152636.db2.gz KSRGGPGJLDPGAO-IUCAKERBSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000177051148 177155970 /nfs/dbraw/zinc/15/59/70/177155970.db2.gz GUFUQWHSNUXNQW-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)n2)CC1(C)C ZINC000336396228 177165448 /nfs/dbraw/zinc/16/54/48/177165448.db2.gz BXFMPYXLGVOVFT-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN C[C@H]1CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000299659516 177166244 /nfs/dbraw/zinc/16/62/44/177166244.db2.gz QEKLUCSFCXBOSA-VIFPVBQESA-N 0 1 233.271 2.171 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1cn2cccnc2n1 ZINC000119160363 177166994 /nfs/dbraw/zinc/16/69/94/177166994.db2.gz XMIWUZRSMMBQSY-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@H](C)C2)s1 ZINC000289171512 177167317 /nfs/dbraw/zinc/16/73/17/177167317.db2.gz RWDQZTSMTHBJQP-IUCAKERBSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)c1cccn1C ZINC000123242665 177185622 /nfs/dbraw/zinc/18/56/22/177185622.db2.gz WCJZKAXMFRRSML-PHIMTYICSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@H]1CC[C@@H](CN(C)Cc2ccoc2)O1 ZINC000336689680 177189098 /nfs/dbraw/zinc/18/90/98/177189098.db2.gz DEOXZVYBHRKVTN-JQWIXIFHSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@H]1CC[C@@H](CN2CCc3ccc(O)cc3C2)O1 ZINC000334151272 177189596 /nfs/dbraw/zinc/18/95/96/177189596.db2.gz QGSKSRBEIXMOTE-NHYWBVRUSA-N 0 1 247.338 2.318 20 0 BEADMN C[C@H]1CC[C@@H](CN(C)CCC(F)(F)F)O1 ZINC000336690766 177189772 /nfs/dbraw/zinc/18/97/72/177189772.db2.gz KCPVTDCMUKQNEG-IUCAKERBSA-N 0 1 225.254 2.438 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(Cc3cc[nH]n3)C2)C1 ZINC000336428032 177196289 /nfs/dbraw/zinc/19/62/89/177196289.db2.gz GDRZDKBIBDJJJA-WCQYABFASA-N 0 1 219.332 2.422 20 0 BEADMN C[C@H]1CC[C@H](C)N(CC(=O)c2cccn2C)C1 ZINC000088706284 177198281 /nfs/dbraw/zinc/19/82/81/177198281.db2.gz ZXOSQNNIUPQGMZ-RYUDHWBXSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2nccn2C)C1 ZINC000076149102 177199267 /nfs/dbraw/zinc/19/92/67/177199267.db2.gz HBWUGZVGBCZPPW-QWRGUYRKSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OC(C)(C)C ZINC000123184459 177199402 /nfs/dbraw/zinc/19/94/02/177199402.db2.gz SLLDRSLXDLYTCU-UWVGGRQHSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@H]1CN(C(=O)CCC2CCCCC2)CCN1 ZINC000062618899 177214785 /nfs/dbraw/zinc/21/47/85/177214785.db2.gz QHFBQBLMKZFZTF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H](C)N1 ZINC000070076413 177215104 /nfs/dbraw/zinc/21/51/04/177215104.db2.gz MUHNWWQCPZNTJY-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CN(C(=O)c2ccc3cncn3c2)C[C@@H]1C ZINC000283303410 177227333 /nfs/dbraw/zinc/22/73/33/177227333.db2.gz AAMKJCPZCXZORA-QWRGUYRKSA-N 0 1 243.310 2.062 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)[C@@H](C)CN1C ZINC000361155765 177238937 /nfs/dbraw/zinc/23/89/37/177238937.db2.gz PZPIYYCJJCRIGF-ZJUUUORDSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1CN(CC2OCCO2)[C@H]1c1ccccc1 ZINC000272281651 177246863 /nfs/dbraw/zinc/24/68/63/177246863.db2.gz OHPDXGGVPBTIMA-SMDDNHRTSA-N 0 1 233.311 2.052 20 0 BEADMN C[C@H]1CN(CCCCC2CCOCC2)CCO1 ZINC000337143848 177248132 /nfs/dbraw/zinc/24/81/32/177248132.db2.gz ZBRPRFBHNMNUKZ-ZDUSSCGKSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)C[C@H](C)O1 ZINC000051953683 177259561 /nfs/dbraw/zinc/25/95/61/177259561.db2.gz IWTSOLYAGPYJSJ-GUTXKFCHSA-N 0 1 249.354 2.003 20 0 BEADMN C[C@H]1CN(Cc2ccc(CO)o2)CCC1(F)F ZINC000291581863 177262693 /nfs/dbraw/zinc/26/26/93/177262693.db2.gz OXBVMEUGDDCQTN-VIFPVBQESA-N 0 1 245.269 2.249 20 0 BEADMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280196451 177266684 /nfs/dbraw/zinc/26/66/84/177266684.db2.gz HQLFWQSNZFSDEE-DZGCQCFKSA-N 0 1 247.338 2.066 20 0 BEADMN C[C@H]1CN([C@H]2CCOC2)Cc2ccccc2O1 ZINC000292554534 177275898 /nfs/dbraw/zinc/27/58/98/177275898.db2.gz YWDAYXYGRJBLHL-AAEUAGOBSA-N 0 1 233.311 2.058 20 0 BEADMN C[C@H]1COCCN1CCCOCc1ccccc1 ZINC000273238577 177291204 /nfs/dbraw/zinc/29/12/04/177291204.db2.gz SYKYHGBEFCLQAP-AWEZNQCLSA-N 0 1 249.354 2.314 20 0 BEADMN C[C@H]1CSCCN1CCc1cscn1 ZINC000294860295 177305331 /nfs/dbraw/zinc/30/53/31/177305331.db2.gz CYIDXWKDSDBLFY-VIFPVBQESA-N 0 1 228.386 2.123 20 0 BEADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cnns2)C1 ZINC000336685272 177315331 /nfs/dbraw/zinc/31/53/31/177315331.db2.gz KQNVYTUOGVCEMK-KXUCPTDWSA-N 0 1 225.361 2.405 20 0 BEADMN C[C@@H]1C[C@H](C)CN1CC(=O)OC(C)(C)C ZINC000312973963 177319075 /nfs/dbraw/zinc/31/90/75/177319075.db2.gz CQNQBXLRJGFLNK-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1ccc2c(c1)NC(=O)CO2 ZINC000336593482 177319783 /nfs/dbraw/zinc/31/97/83/177319783.db2.gz XEWYHDSXZJMQNR-AOOOYVTPSA-N 0 1 246.310 2.000 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1 ZINC000336435953 177337486 /nfs/dbraw/zinc/33/74/86/177337486.db2.gz CGBZWMITRPDYRO-JOYOIKCWSA-N 0 1 225.719 2.295 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cs1 ZINC000336418578 177337868 /nfs/dbraw/zinc/33/78/68/177337868.db2.gz QWFBKJYHMAGEOE-IONNQARKSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC000105980651 177352110 /nfs/dbraw/zinc/35/21/10/177352110.db2.gz WXLMZTSIVTYDDH-ONGXEEELSA-N 0 1 237.299 2.310 20 0 BEADMN C[C@H]1C[C@H](NCCc2cscn2)c2nccn21 ZINC000345347705 177370059 /nfs/dbraw/zinc/37/00/59/177370059.db2.gz FCLJQPFLLHYYQQ-ONGXEEELSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378258096 177376709 /nfs/dbraw/zinc/37/67/09/177376709.db2.gz CNMRPVIFWBZZST-WCBMZHEXSA-N 0 1 242.282 2.066 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000363411253 177376855 /nfs/dbraw/zinc/37/68/55/177376855.db2.gz MSOAQJUSEBGDBC-GZMMTYOYSA-N 0 1 242.282 2.066 20 0 BEADMN C[C@H]1N(CCOC(C)(C)C)CCOC1(C)C ZINC000336687735 177392644 /nfs/dbraw/zinc/39/26/44/177392644.db2.gz XQHWIGRCTXKNSG-LLVKDONJSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@]1(NCc2cc(F)c(F)cc2F)CCOC1 ZINC000120222883 177469437 /nfs/dbraw/zinc/46/94/37/177469437.db2.gz ZXCHFCNHWPCRQY-LBPRGKRZSA-N 0 1 245.244 2.373 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2nc(C)no2)C1 ZINC000674868212 487638910 /nfs/dbraw/zinc/63/89/10/487638910.db2.gz OPJSOWGOSQAOPP-PSASIEDQSA-N 0 1 209.293 2.171 20 0 BEADMN CCc1noc(CN2CC[C@@H](C(C)C)C2)n1 ZINC000674867679 487639374 /nfs/dbraw/zinc/63/93/74/487639374.db2.gz FRICXICBIULOGP-SNVBAGLBSA-N 0 1 223.320 2.110 20 0 BEADMN CN1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000681996746 487639918 /nfs/dbraw/zinc/63/99/18/487639918.db2.gz NBPWULHYUCUDOY-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CC[C@@H](C)C2)[nH]1 ZINC001652464170 1173087324 /nfs/dbraw/zinc/08/73/24/1173087324.db2.gz WRLFYKXNDJBIQS-NXEZZACHSA-N 0 1 235.331 2.025 20 0 BEADMN CCn1ncnc1CN1CCC[C@H]1CC(C)C ZINC000487865632 225328895 /nfs/dbraw/zinc/32/88/95/225328895.db2.gz FCFQRZAFKIVFFS-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN COCCN(Cc1ncccn1)[C@H]1CCC[C@H]1C ZINC000488088752 225345768 /nfs/dbraw/zinc/34/57/68/225345768.db2.gz ILNLCNMJCMZXQB-OLZOCXBDSA-N 0 1 249.358 2.114 20 0 BEADMN O=C(/C=C/C1CCCC1)NCCN1CC=CCC1 ZINC000493828877 226256293 /nfs/dbraw/zinc/25/62/93/226256293.db2.gz VZPDVXXFFDAMED-CMDGGOBGSA-N 0 1 248.370 2.111 20 0 BEADMN FCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493952714 226259141 /nfs/dbraw/zinc/25/91/41/226259141.db2.gz NEAWSHHBYQBMAD-VXGBXAGGSA-N 0 1 245.244 2.354 20 0 BEADMN FCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493952711 226259266 /nfs/dbraw/zinc/25/92/66/226259266.db2.gz NEAWSHHBYQBMAD-NEPJUHHUSA-N 0 1 245.244 2.354 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1CN1CC(C)(C)OC1=O ZINC000496500883 226306727 /nfs/dbraw/zinc/30/67/27/226306727.db2.gz OKPIKSIGCKHFQI-SNVBAGLBSA-N 0 1 240.347 2.295 20 0 BEADMN C[C@@H]1CC(C)(C)CN1CN1CC(C)(C)OC1=O ZINC000496500883 226306728 /nfs/dbraw/zinc/30/67/28/226306728.db2.gz OKPIKSIGCKHFQI-SNVBAGLBSA-N 0 1 240.347 2.295 20 0 BEADMN C[C@H](NCC[C@@H]1CCOC1)C(C)(F)F ZINC000400681860 226349176 /nfs/dbraw/zinc/34/91/76/226349176.db2.gz JURKJRVUVOALPP-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN COCCN(Cc1sccc1OC)C1CC1 ZINC000507188145 226366898 /nfs/dbraw/zinc/36/68/98/226366898.db2.gz NOJBYKRQPKCLHF-UHFFFAOYSA-N 0 1 241.356 2.368 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1F ZINC000079488757 487650623 /nfs/dbraw/zinc/65/06/23/487650623.db2.gz CKYGIJDGJHCGMK-CYBMUJFWSA-N 0 1 237.274 2.265 20 0 BEADMN COc1cccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000079489010 487650666 /nfs/dbraw/zinc/65/06/66/487650666.db2.gz JHFSRPKPAWRAJZ-CQSZACIVSA-N 0 1 249.310 2.134 20 0 BEADMN CCn1cc(CCN2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000671626547 487652533 /nfs/dbraw/zinc/65/25/33/487652533.db2.gz VTYBSDXOMQHBKL-YPMHNXCESA-N 0 1 239.338 2.125 20 0 BEADMN Cc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000674911808 487653452 /nfs/dbraw/zinc/65/34/52/487653452.db2.gz NILKWKQLFTZKMB-IEBDPFPHSA-N 0 1 221.304 2.171 20 0 BEADMN Cc1noc([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000674911808 487653456 /nfs/dbraw/zinc/65/34/56/487653456.db2.gz NILKWKQLFTZKMB-IEBDPFPHSA-N 0 1 221.304 2.171 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2OCC[C@@H]2C)n1 ZINC000414615637 487652975 /nfs/dbraw/zinc/65/29/75/487652975.db2.gz GZINOQUDHQROGD-LPEHRKFASA-N 0 1 239.319 2.213 20 0 BEADMN CC(C)n1ncnc1CNCC1(C(C)C)CC1 ZINC000232785896 487653651 /nfs/dbraw/zinc/65/36/51/487653651.db2.gz WOQZLXQNXUOAHJ-UHFFFAOYSA-N 0 1 236.363 2.385 20 0 BEADMN C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ncc(Cl)s1 ZINC000680899928 487663122 /nfs/dbraw/zinc/66/31/22/487663122.db2.gz YHFPBKYNYZMFDK-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@H]1[C@H](C)N(c2ncc(Cl)s2)CCN1C ZINC000680899928 487663123 /nfs/dbraw/zinc/66/31/23/487663123.db2.gz YHFPBKYNYZMFDK-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@H](CC(C)(C)C)N[C@H](C)c1ncn(C)n1 ZINC000391875609 262756564 /nfs/dbraw/zinc/75/65/64/262756564.db2.gz MZOIBAOQLNCJDF-NXEZZACHSA-N 0 1 224.352 2.290 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000675131690 487672016 /nfs/dbraw/zinc/67/20/16/487672016.db2.gz PGLKPCFKZZPWBM-ZJUUUORDSA-N 0 1 235.331 2.134 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000675131687 487672663 /nfs/dbraw/zinc/67/26/63/487672663.db2.gz PGLKPCFKZZPWBM-NXEZZACHSA-N 0 1 235.331 2.134 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000675178841 487678280 /nfs/dbraw/zinc/67/82/80/487678280.db2.gz CJZUMVASTHVJPI-TZMCWYRMSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC1(C(=O)N[C@H]2CCCN(C)C2)CCC1 ZINC000675225813 487682086 /nfs/dbraw/zinc/68/20/86/487682086.db2.gz BIKREZHLYNVNMC-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2CCOC2)c(C)s1 ZINC000087783971 487684842 /nfs/dbraw/zinc/68/48/42/487684842.db2.gz JHKMDASFGSRAOJ-GMSGAONNSA-N 0 1 226.345 2.199 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660142342 487685335 /nfs/dbraw/zinc/68/53/35/487685335.db2.gz UZGHFGSKPZIRAJ-UTUOFQBUSA-N 0 1 219.332 2.278 20 0 BEADMN COc1ccc(CNCCOC(C)C)c(F)c1 ZINC000228600972 487688619 /nfs/dbraw/zinc/68/86/19/487688619.db2.gz MZYGKAQCPRLEAZ-UHFFFAOYSA-N 0 1 241.306 2.349 20 0 BEADMN CC1(C)C[C@@H](N2CC3(C2)CC(F)(F)C3)CO1 ZINC000660147691 487693340 /nfs/dbraw/zinc/69/33/40/487693340.db2.gz PICSXFBVWYYGDF-SECBINFHSA-N 0 1 231.286 2.285 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)[C@H](C)N(C)C)[C@@H]1C(C)C ZINC000653956626 487693439 /nfs/dbraw/zinc/69/34/39/487693439.db2.gz WBOYBKBAHQJNCJ-RWMBFGLXSA-N 0 1 240.391 2.076 20 0 BEADMN Fc1cccc([C@@H]2C[C@H]2N2CCCOCC2)c1 ZINC000336279365 487694461 /nfs/dbraw/zinc/69/44/61/487694461.db2.gz VUDMLAWJQRBSFI-UONOGXRCSA-N 0 1 235.302 2.404 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccsc1 ZINC000145533377 487695292 /nfs/dbraw/zinc/69/52/92/487695292.db2.gz KVXNVGLDHIFFKQ-WPRPVWTQSA-N 0 1 225.313 2.358 20 0 BEADMN CC1=CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667649954 487695357 /nfs/dbraw/zinc/69/53/57/487695357.db2.gz HNGHULDYUMRJTK-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1ccncn1 ZINC000396112532 262796792 /nfs/dbraw/zinc/79/67/92/262796792.db2.gz WEITUYNJFFSBAF-LBPRGKRZSA-N 0 1 243.310 2.206 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)CS1 ZINC000397790652 262933922 /nfs/dbraw/zinc/93/39/22/262933922.db2.gz HVTVWNDCZCGOBH-ZNSHCXBVSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ncccc1F ZINC000528823668 262976643 /nfs/dbraw/zinc/97/66/43/262976643.db2.gz MRLQRBIEYXHOHH-OUAUKWLOSA-N 0 1 238.306 2.439 20 0 BEADMN CC/C=C\CCN1CC[N@H+](CC)[C@@H](C)C1 ZINC000681023947 487700544 /nfs/dbraw/zinc/70/05/44/487700544.db2.gz BLRPJBKHOZTWLR-FWWRYZNZSA-N 0 1 210.365 2.369 20 0 BEADMN CCCC[C@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000669704932 487702037 /nfs/dbraw/zinc/70/20/37/487702037.db2.gz XPEKKXZSIUPCQN-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN CC(C)n1ncnc1CNCCC1=CCCC1 ZINC000228672468 487707392 /nfs/dbraw/zinc/70/73/92/487707392.db2.gz BBWBVCAFNBIVLI-UHFFFAOYSA-N 0 1 234.347 2.449 20 0 BEADMN Cc1ccc2c(c1)CN([C@H]1CCCOC1)CCO2 ZINC000671723398 487708632 /nfs/dbraw/zinc/70/86/32/487708632.db2.gz RZGLWXCFDPELDZ-AWEZNQCLSA-N 0 1 247.338 2.368 20 0 BEADMN COc1ccccc1C[C@@H](C)N(C)CC(C)=O ZINC000088198443 487709380 /nfs/dbraw/zinc/70/93/80/487709380.db2.gz WEWPFEBOZOOYNR-LLVKDONJSA-N 0 1 235.327 2.147 20 0 BEADMN Fc1ccc(F)c(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152972621 487711019 /nfs/dbraw/zinc/71/10/19/487711019.db2.gz OHOKZNHKCYPRDR-RTXFEEFZSA-N 0 1 239.265 2.374 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccno1 ZINC000548165248 487716313 /nfs/dbraw/zinc/71/63/13/487716313.db2.gz YEIMBQGBUITUBS-STQMWFEESA-N 0 1 238.331 2.358 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C3CCC3)C2)n[nH]1 ZINC000665678193 487723384 /nfs/dbraw/zinc/72/33/84/487723384.db2.gz NGLYGIBBWKFQLN-LLVKDONJSA-N 0 1 247.342 2.234 20 0 BEADMN COC1(CN(C)Cc2c[nH]cn2)CCCCC1 ZINC000668421902 487725435 /nfs/dbraw/zinc/72/54/35/487725435.db2.gz KGXJBZAGNHLJNG-UHFFFAOYSA-N 0 1 237.347 2.191 20 0 BEADMN Cc1ccc(CCC[N@@H+](C)Cc2c[nH]cn2)cn1 ZINC000668422181 487727689 /nfs/dbraw/zinc/72/76/89/487727689.db2.gz SIBROVKRMKKSHO-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN Cc1ccc(CCC[N@H+](C)Cc2c[nH]cn2)cn1 ZINC000668422181 487727694 /nfs/dbraw/zinc/72/76/94/487727694.db2.gz SIBROVKRMKKSHO-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000681120434 487732790 /nfs/dbraw/zinc/73/27/90/487732790.db2.gz GOQRSKPUZHRGOG-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@H]1CCCCN1C ZINC000681123654 487735175 /nfs/dbraw/zinc/73/51/75/487735175.db2.gz IEAZWOFLTSUYNF-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000054070338 487762084 /nfs/dbraw/zinc/76/20/84/487762084.db2.gz OYMRWHZQNLXRRJ-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN CCOc1cccc(CN2CC3(C2)CCOC3)c1 ZINC000293942385 487771037 /nfs/dbraw/zinc/77/10/37/487771037.db2.gz IEBFYSVLSZGNNT-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)CCF)C1(C)C ZINC000759341801 585368963 /nfs/dbraw/zinc/36/89/63/585368963.db2.gz FMPVTULMUKHDCZ-NXEZZACHSA-N 0 1 203.301 2.091 20 0 BEADMN COc1cc(CN2C[C@@H](C)C[C@H](C)C2)on1 ZINC000659828944 487777230 /nfs/dbraw/zinc/77/72/30/487777230.db2.gz KRDIIYUVKMFDKK-UWVGGRQHSA-N 0 1 224.304 2.161 20 0 BEADMN C[C@@H](C(=O)N(C)[C@@H](C)c1cccs1)N(C)C ZINC000674286340 487777257 /nfs/dbraw/zinc/77/72/57/487777257.db2.gz UQKXZJBFCYQVNU-UWVGGRQHSA-N 0 1 240.372 2.218 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@H](C)C2)n[nH]1 ZINC000659828939 487777483 /nfs/dbraw/zinc/77/74/83/487777483.db2.gz KQNUGOMNBJPGRH-UWVGGRQHSA-N 0 1 222.336 2.160 20 0 BEADMN CC(C)CN(C(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000674288336 487779912 /nfs/dbraw/zinc/77/99/12/487779912.db2.gz XGVVTVZGULZLAV-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)c1cccc(CNC(=O)[C@H](C)N(C)C)c1 ZINC000681371078 487787233 /nfs/dbraw/zinc/78/72/33/487787233.db2.gz FBBSYNAYABJBMR-LBPRGKRZSA-N 0 1 248.370 2.376 20 0 BEADMN CCc1nc(NC(=O)c2ccoc2C(C)C)n[nH]1 ZINC000359852950 487790259 /nfs/dbraw/zinc/79/02/59/487790259.db2.gz ZEOMXDXKQKJMDV-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccoc2C(C)C)n1 ZINC000359852950 487790266 /nfs/dbraw/zinc/79/02/66/487790266.db2.gz ZEOMXDXKQKJMDV-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN CCC(C)(CC)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000681001949 487796939 /nfs/dbraw/zinc/79/69/39/487796939.db2.gz WPUVPEVWFDNJPM-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN COCCC1CN(Cc2n[nH]c3ccccc32)C1 ZINC000668472158 487797673 /nfs/dbraw/zinc/79/76/73/487797673.db2.gz DWGMECLTUGTNTQ-UHFFFAOYSA-N 0 1 245.326 2.031 20 0 BEADMN COCCC1CN(Cc2[nH]nc3ccccc32)C1 ZINC000668472158 487797681 /nfs/dbraw/zinc/79/76/81/487797681.db2.gz DWGMECLTUGTNTQ-UHFFFAOYSA-N 0 1 245.326 2.031 20 0 BEADMN COCCC1CN(Cc2occc2C)C1 ZINC000668472699 487797855 /nfs/dbraw/zinc/79/78/55/487797855.db2.gz FKZBYOQHVGLSQS-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN CCc1nnc([C@H](C)N(CC)CC(C)C)[nH]1 ZINC000659839052 487799676 /nfs/dbraw/zinc/79/96/76/487799676.db2.gz UFCUJPDXWYCUBT-JTQLQIEISA-N 0 1 224.352 2.406 20 0 BEADMN CCc1occc1-c1nc([C@H]2CCCN2)no1 ZINC000234309172 487800643 /nfs/dbraw/zinc/80/06/43/487800643.db2.gz JBKCABQTQROOIX-SECBINFHSA-N 0 1 233.271 2.317 20 0 BEADMN CCc1ccc(CN2CCCOC[C@H]2C)o1 ZINC000678272254 487800842 /nfs/dbraw/zinc/80/08/42/487800842.db2.gz CLAZFIZKRIBGHA-LLVKDONJSA-N 0 1 223.316 2.453 20 0 BEADMN COC1([C@H](C)N[C@@H](C)c2ncc[nH]2)CCC1 ZINC000414300199 487803312 /nfs/dbraw/zinc/80/33/12/487803312.db2.gz ILMCWUZKUHKHIX-UWVGGRQHSA-N 0 1 223.320 2.018 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000651632715 487804694 /nfs/dbraw/zinc/80/46/94/487804694.db2.gz VAEALWLEJJIIQW-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CN(Cc1ccsc1)Cc1cnc[nH]1 ZINC000681507862 487807224 /nfs/dbraw/zinc/80/72/24/487807224.db2.gz BAOAKGBVWKWZJT-UHFFFAOYSA-N 0 1 207.302 2.103 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000651646334 487810993 /nfs/dbraw/zinc/81/09/93/487810993.db2.gz ZVEKXJFTCPVYKX-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC(C)(C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000651646334 487810997 /nfs/dbraw/zinc/81/09/97/487810997.db2.gz ZVEKXJFTCPVYKX-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](NCc1nccs1)[C@H](O)C(C)C ZINC000666446714 487811378 /nfs/dbraw/zinc/81/13/78/487811378.db2.gz HSHGBALAOKJVEL-MWLCHTKSSA-N 0 1 228.361 2.028 20 0 BEADMN C[C@H](N[C@@H]1CCCCC[C@H]1C)c1ncn(C)n1 ZINC000651779156 487826654 /nfs/dbraw/zinc/82/66/54/487826654.db2.gz XPHUWYBDDZAZHX-GRYCIOLGSA-N 0 1 236.363 2.435 20 0 BEADMN COC[C@H](C)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000075648086 487828808 /nfs/dbraw/zinc/82/88/08/487828808.db2.gz SKYKTYJFZCUHIO-GZBFAFLISA-N 0 1 249.354 2.483 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccs1)C1CCC1 ZINC000211622621 487831352 /nfs/dbraw/zinc/83/13/52/487831352.db2.gz SQQUHSQDMKGLDY-UHFFFAOYSA-N 0 1 225.313 2.187 20 0 BEADMN CC[C@H]1CN(C)CCN1C/C(Cl)=C\Cl ZINC000823195445 587208048 /nfs/dbraw/zinc/20/80/48/587208048.db2.gz YDTOWTMGQMTNMB-ZKXNXJMVSA-N 0 1 237.174 2.331 20 0 BEADMN Cc1ncc([C@@H](C)N(C)C[C@@H]2CCCO2)c(C)n1 ZINC000681659148 487833097 /nfs/dbraw/zinc/83/30/97/487833097.db2.gz VGPQPDHBMDTQAD-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000666578585 487834382 /nfs/dbraw/zinc/83/43/82/487834382.db2.gz HRTWTGNGSKLQCB-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000666580975 487835182 /nfs/dbraw/zinc/83/51/82/487835182.db2.gz VUDXPYYMTWILLN-NSHDSACASA-N 0 1 235.327 2.369 20 0 BEADMN CCN(C/C=C\Cl)[C@@H]1CCCOC1 ZINC000844403550 588189942 /nfs/dbraw/zinc/18/99/42/588189942.db2.gz GLNQPUGLZJRCSP-AYYIZTPMSA-N 0 1 203.713 2.240 20 0 BEADMN FC(F)OCCN1CCC(C(F)F)CC1 ZINC000851815842 588632906 /nfs/dbraw/zinc/63/29/06/588632906.db2.gz UWQMYBYOFQBJBE-UHFFFAOYSA-N 0 1 229.217 2.203 20 0 BEADMN COCCN(CCF)CC1=CCCC1 ZINC000852479349 588683126 /nfs/dbraw/zinc/68/31/26/588683126.db2.gz CXEGIRRCWIAEIP-UHFFFAOYSA-N 0 1 201.285 2.015 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(F)cc2C)n[nH]1 ZINC000676380009 487843875 /nfs/dbraw/zinc/84/38/75/487843875.db2.gz YPBQFFVFWYNVPX-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668113846 487843492 /nfs/dbraw/zinc/84/34/92/487843492.db2.gz BIRGHKHGVABGFK-JTQLQIEISA-N 0 1 249.358 2.065 20 0 BEADMN COc1cncc(CN2CC[C@H](C(F)F)C2)c1 ZINC000676391211 487844608 /nfs/dbraw/zinc/84/46/08/487844608.db2.gz UCWIXDQWYUDBBD-JTQLQIEISA-N 0 1 242.269 2.177 20 0 BEADMN O=C(NCc1cnc[nH]1)C1[C@H]2CCCCCC[C@H]12 ZINC000668996333 487844692 /nfs/dbraw/zinc/84/46/92/487844692.db2.gz YUVUHDOLKNCKQA-RYUDHWBXSA-N 0 1 247.342 2.242 20 0 BEADMN CSC(C)(C)CCN1CCO[C@H](CF)C1 ZINC000877587687 590368607 /nfs/dbraw/zinc/36/86/07/590368607.db2.gz PWNRJDFCXLYREK-SNVBAGLBSA-N 0 1 235.368 2.188 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC2CC(C)(C)C2)cc1 ZINC000395286308 487849315 /nfs/dbraw/zinc/84/93/15/487849315.db2.gz GWIDKNKNPRASEF-CYBMUJFWSA-N 0 1 246.354 2.300 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000681748478 487852573 /nfs/dbraw/zinc/85/25/73/487852573.db2.gz SRIYPMPUGBHXTM-GXFFZTMASA-N 0 1 247.342 2.377 20 0 BEADMN CC(C)C1(C)CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000681755461 487856079 /nfs/dbraw/zinc/85/60/79/487856079.db2.gz AGAAENMEVXZAJW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCOC(=O)CN1CCCC12CCC2 ZINC000373095292 487858293 /nfs/dbraw/zinc/85/82/93/487858293.db2.gz PNQFYKSIAJPJNJ-UHFFFAOYSA-N 0 1 225.332 2.348 20 0 BEADMN CC1(C)CN(Cc2cnc3n2CCC3)[C@@H]1C1CC1 ZINC000668178095 487864930 /nfs/dbraw/zinc/86/49/30/487864930.db2.gz NGAPFXHVAPGDSY-CQSZACIVSA-N 0 1 245.370 2.450 20 0 BEADMN C[C@@H](CN(C)[C@@H](C)CS(C)(=O)=O)C(C)(C)C ZINC000670264587 487865717 /nfs/dbraw/zinc/86/57/17/487865717.db2.gz ZFXHXLSLWSRHOE-QWRGUYRKSA-N 0 1 249.420 2.034 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)[C@H](C)CO1 ZINC000651931168 487869381 /nfs/dbraw/zinc/86/93/81/487869381.db2.gz MNIHDSNXMDHMNJ-DGCLKSJQSA-N 0 1 222.332 2.024 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CC[C@@](F)(CO)C1 ZINC000670273382 487896874 /nfs/dbraw/zinc/89/68/74/487896874.db2.gz NASCXWJJOULXPJ-JQWIXIFHSA-N 0 1 243.347 2.085 20 0 BEADMN C[C@H]1COCCCN1Cc1cccc(F)c1 ZINC000676710853 487898554 /nfs/dbraw/zinc/89/85/54/487898554.db2.gz LRAVACHYRRDTEB-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN Cn1ccnc1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000229289009 487901590 /nfs/dbraw/zinc/90/15/90/487901590.db2.gz WXCKKUGEVSGTJA-LBPRGKRZSA-N 0 1 249.358 2.002 20 0 BEADMN Cc1nccnc1[C@@H](C)NCCOCC1CCC1 ZINC000682142199 487912952 /nfs/dbraw/zinc/91/29/52/487912952.db2.gz ZKKOWWOTXALRBH-GFCCVEGCSA-N 0 1 249.358 2.252 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@H]1F ZINC000682163575 487919952 /nfs/dbraw/zinc/91/99/52/487919952.db2.gz AVHJCECWZCJEQV-GRYCIOLGSA-N 0 1 215.312 2.093 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)C2(N(C)C)CC2)C1 ZINC000667078943 487921983 /nfs/dbraw/zinc/92/19/83/487921983.db2.gz JRUHSLOMKCUFRS-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCNCc1cn(Cc2ccc(C)c(C)c2)nn1 ZINC000090296028 487927516 /nfs/dbraw/zinc/92/75/16/487927516.db2.gz NXISJSTZXWBXBA-UHFFFAOYSA-N 0 1 244.342 2.053 20 0 BEADMN CCNCc1cn(Cc2cc(C)ccc2C)nn1 ZINC000090295985 487927467 /nfs/dbraw/zinc/92/74/67/487927467.db2.gz OLHRFNHTPSIJMY-UHFFFAOYSA-N 0 1 244.342 2.053 20 0 BEADMN CC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000682220725 487928634 /nfs/dbraw/zinc/92/86/34/487928634.db2.gz FZAUYFRHWYWNRZ-QAVQXKDTSA-N 0 1 228.299 2.060 20 0 BEADMN O=C(NCC1CCC1)c1cc(F)cc2nc[nH]c21 ZINC000048734252 487930286 /nfs/dbraw/zinc/93/02/86/487930286.db2.gz VSCFGUBMBPAJQB-UHFFFAOYSA-N 0 1 247.273 2.232 20 0 BEADMN Fc1ccc(CN2CCc3cn[nH]c3C2)cc1F ZINC000676792842 487930492 /nfs/dbraw/zinc/93/04/92/487930492.db2.gz SVADSTBQONPLKR-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN Fc1cccc(CN2CCc3cn[nH]c3C2)c1F ZINC000676793787 487930508 /nfs/dbraw/zinc/93/05/08/487930508.db2.gz PJXAPKOTNTWSHD-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN Cc1nc(C)c(CN2CCc3cn[nH]c3C2)s1 ZINC000676794309 487931004 /nfs/dbraw/zinc/93/10/04/487931004.db2.gz UHBKLGGAWHTMPU-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CC(C)(O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000682239989 487933524 /nfs/dbraw/zinc/93/35/24/487933524.db2.gz QJUGDYFPSIENBZ-UHFFFAOYSA-N 0 1 232.283 2.123 20 0 BEADMN C[C@@H](O)CCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000682244121 487934243 /nfs/dbraw/zinc/93/42/43/487934243.db2.gz OUSNWWHLHNZGSG-SNVBAGLBSA-N 0 1 246.310 2.148 20 0 BEADMN CN(CC(C)(C)O)c1cc[nH+]c2c([O-])cccc12 ZINC000682242225 487934862 /nfs/dbraw/zinc/93/48/62/487934862.db2.gz SQQKCZUOTJLIGM-UHFFFAOYSA-N 0 1 246.310 2.148 20 0 BEADMN C[C@@H](CO)CN1CCc2c(Cl)cccc2C1 ZINC000121027800 490073717 /nfs/dbraw/zinc/07/37/17/490073717.db2.gz NQPLJKKIYUVKPZ-SNVBAGLBSA-N 0 1 239.746 2.327 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)C1 ZINC000669079194 487941071 /nfs/dbraw/zinc/94/10/71/487941071.db2.gz LADHVORVOVABGO-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668565965 487941964 /nfs/dbraw/zinc/94/19/64/487941964.db2.gz PASRIDOODYGYSC-WDEREUQCSA-N 0 1 249.358 2.019 20 0 BEADMN CC[C@H](C)[N@@H+](CC)CC1(CC(=O)[O-])CC1 ZINC000083854676 487947708 /nfs/dbraw/zinc/94/77/08/487947708.db2.gz ZSWPMUPCOYWOJR-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](CC(=O)NCCN1CCC1)CC(C)(C)C ZINC000676948317 487948491 /nfs/dbraw/zinc/94/84/91/487948491.db2.gz GEVDQOWCKZCHFI-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN CN(Cc1ccc[nH]1)Cc1ccc(O)cc1 ZINC000682405687 487949007 /nfs/dbraw/zinc/94/90/07/487949007.db2.gz YCQURAGLKUDNEM-UHFFFAOYSA-N 0 1 216.284 2.352 20 0 BEADMN CC[C@]1(C)COCCN1Cc1ccc(O)cc1 ZINC000682405747 487949018 /nfs/dbraw/zinc/94/90/18/487949018.db2.gz AIRTVSZSXOLZGO-CQSZACIVSA-N 0 1 235.327 2.393 20 0 BEADMN Cc1cnc(CN[C@H](C)COCC2CC2)s1 ZINC000651983881 487949756 /nfs/dbraw/zinc/94/97/56/487949756.db2.gz MWTDUVQRIBOFPN-SECBINFHSA-N 0 1 240.372 2.356 20 0 BEADMN O=C([O-])c1cccnc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000302305452 487955753 /nfs/dbraw/zinc/95/57/53/487955753.db2.gz HTRQSAIJDAZHNH-PHIMTYICSA-N 0 1 246.310 2.012 20 0 BEADMN CC(C)OC[C@H](C)NCc1ccn(C(C)C)n1 ZINC000569625043 323000303 /nfs/dbraw/zinc/00/03/03/323000303.db2.gz JOPMMCBTHNQWRB-LBPRGKRZSA-N 0 1 239.363 2.367 20 0 BEADMN CC(C)OC[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000569625040 323000309 /nfs/dbraw/zinc/00/03/09/323000309.db2.gz JOPMMCBTHNQWRB-GFCCVEGCSA-N 0 1 239.363 2.367 20 0 BEADMN Cc1nc(CN[C@@H]2CC23CCCC3)[nH]c1C ZINC000566497118 323003068 /nfs/dbraw/zinc/00/30/68/323003068.db2.gz SIALUZNLQHDBFP-LLVKDONJSA-N 0 1 219.332 2.449 20 0 BEADMN CCN(Cc1ccncc1)CC1(F)CC1 ZINC000561973923 323009692 /nfs/dbraw/zinc/00/96/92/323009692.db2.gz JKGUFVIFLORZDJ-UHFFFAOYSA-N 0 1 208.280 2.406 20 0 BEADMN COC[C@H](N[C@@H](C)c1ccoc1)[C@H]1CCCO1 ZINC000562425526 323019500 /nfs/dbraw/zinc/01/95/00/323019500.db2.gz FGVLXNGDYHNHGI-WCFLWFBJSA-N 0 1 239.315 2.124 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000562657564 323026754 /nfs/dbraw/zinc/02/67/54/323026754.db2.gz GHYUTOFXLWGZPR-IINYFYTJSA-N 0 1 249.358 2.238 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1cnccn1)C1CC1 ZINC000562679287 323027325 /nfs/dbraw/zinc/02/73/25/323027325.db2.gz PJYJVGGFZATFHW-JTQLQIEISA-N 0 1 217.316 2.240 20 0 BEADMN C[C@@H](NCc1ccccc1CO)c1cncs1 ZINC000151786365 323027449 /nfs/dbraw/zinc/02/74/49/323027449.db2.gz PUVOYVURYPCRID-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN CCC[C@H](CC)NC(=O)CN(CC)C1CC1 ZINC000151805058 323028913 /nfs/dbraw/zinc/02/89/13/323028913.db2.gz VIYALVSOHQJCNS-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000562742287 323029691 /nfs/dbraw/zinc/02/96/91/323029691.db2.gz QRJKKRGZUAJOCW-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cccc(O)c2)n1C ZINC000565238791 323035937 /nfs/dbraw/zinc/03/59/37/323035937.db2.gz SBVAKLYJSKAMPH-JTQLQIEISA-N 0 1 245.326 2.285 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000562962525 323036468 /nfs/dbraw/zinc/03/64/68/323036468.db2.gz UNOCZVPKVGMABD-OCCSQVGLSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCCCF ZINC000569700888 323037604 /nfs/dbraw/zinc/03/76/04/323037604.db2.gz LKYIKGGGHRFTHH-JTQLQIEISA-N 0 1 219.300 2.167 20 0 BEADMN CCCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C(C)C ZINC000569864639 323042994 /nfs/dbraw/zinc/04/29/94/323042994.db2.gz CKHTYUFQVIRKSU-LLVKDONJSA-N 0 1 249.358 2.477 20 0 BEADMN CCN(CC(C)(C)C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000569939483 323045225 /nfs/dbraw/zinc/04/52/25/323045225.db2.gz BPHUKMOUIIWYNG-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN O[C@H]1CCCC[C@@H]1CN1CCC=C(F)C1 ZINC000570170435 323051798 /nfs/dbraw/zinc/05/17/98/323051798.db2.gz KPXCJYGYSRUVCG-PWSUYJOCSA-N 0 1 213.296 2.097 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000570338137 323056895 /nfs/dbraw/zinc/05/68/95/323056895.db2.gz MTDANDVZZHZWJA-MRVPVSSYSA-N 0 1 225.313 2.431 20 0 BEADMN OC[C@]1(c2ccccc2)CCN(CC2(F)CC2)C1 ZINC000570769072 323069772 /nfs/dbraw/zinc/06/97/72/323069772.db2.gz DFAUPVJZMUCVRW-AWEZNQCLSA-N 0 1 249.329 2.125 20 0 BEADMN CCn1nncc1CN(C1CC1)C1CCCC1 ZINC000570801061 323070773 /nfs/dbraw/zinc/07/07/73/323070773.db2.gz XSXRTDOJDZDUDF-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccnc1 ZINC000570808095 323071373 /nfs/dbraw/zinc/07/13/73/323071373.db2.gz BPFIADGTJGWDIC-JQWIXIFHSA-N 0 1 236.315 2.185 20 0 BEADMN COCC1(NCc2ccc(F)cc2F)CC1 ZINC000309657240 323082620 /nfs/dbraw/zinc/08/26/20/323082620.db2.gz QHDDFFMMEMSKLY-UHFFFAOYSA-N 0 1 227.254 2.233 20 0 BEADMN CCc1cnc(CN2CC[C@H](C)[C@H]2C)o1 ZINC000531449520 323090011 /nfs/dbraw/zinc/09/00/11/323090011.db2.gz QGYZVZTZKYFOAA-VHSXEESVSA-N 0 1 208.305 2.467 20 0 BEADMN Clc1ccc(CNCC2=CCOCC2)o1 ZINC000397785171 323096160 /nfs/dbraw/zinc/09/61/60/323096160.db2.gz YBOZEZXQLOGYMW-UHFFFAOYSA-N 0 1 227.691 2.369 20 0 BEADMN Cc1nnsc1CN1CCC(C)(C)C1 ZINC000563214988 323102909 /nfs/dbraw/zinc/10/29/09/323102909.db2.gz GPCKAKXKLLXFBP-UHFFFAOYSA-N 0 1 211.334 2.078 20 0 BEADMN C[C@H]([N@@H+](C)CC1(C(=O)[O-])CC1)C(C)(C)C ZINC000563277621 323107634 /nfs/dbraw/zinc/10/76/34/323107634.db2.gz JFLVLSAQGWKUQJ-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CC[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000563289926 323108925 /nfs/dbraw/zinc/10/89/25/323108925.db2.gz SENPIZPOKYFHKT-GXTWGEPZSA-N 0 1 247.338 2.333 20 0 BEADMN CC(C)CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000563372152 323121816 /nfs/dbraw/zinc/12/18/16/323121816.db2.gz WSRQQTOIBSEVIL-NSHDSACASA-N 0 1 237.347 2.141 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cncnc2C)cn1 ZINC000563419640 323123972 /nfs/dbraw/zinc/12/39/72/323123972.db2.gz YTBSUXLXQVXBAX-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cncnc2C)cn1 ZINC000563419639 323124009 /nfs/dbraw/zinc/12/40/09/323124009.db2.gz YTBSUXLXQVXBAX-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN CC[C@H](NCc1nc(C)c(C)[nH]1)[C@@H]1CCCO1 ZINC000563441347 323126702 /nfs/dbraw/zinc/12/67/02/323126702.db2.gz WHQIFRPDGJNLHX-RYUDHWBXSA-N 0 1 237.347 2.074 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000563454287 323127168 /nfs/dbraw/zinc/12/71/68/323127168.db2.gz DLFLJPIXGNBSJJ-CMPLNLGQSA-N 0 1 249.310 2.133 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccsc2)C1 ZINC000563543386 323129607 /nfs/dbraw/zinc/12/96/07/323129607.db2.gz USAMEFCIDVJQSF-WPRPVWTQSA-N 0 1 225.313 2.216 20 0 BEADMN Cc1cnccc1CNCc1cccnc1C ZINC000310394054 323130978 /nfs/dbraw/zinc/13/09/78/323130978.db2.gz FDAMJUSCCNBNLJ-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2ccno2)CS1 ZINC000571165437 323137288 /nfs/dbraw/zinc/13/72/88/323137288.db2.gz AKVIMIRNJOAYHH-MWLCHTKSSA-N 0 1 226.345 2.294 20 0 BEADMN C[N@H+](Cc1nc(=O)c2sccc2[n-]1)CC1CC1 ZINC000048580008 323154401 /nfs/dbraw/zinc/15/44/01/323154401.db2.gz JLYCEAVUTUUGAM-UHFFFAOYSA-N 0 1 249.339 2.239 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(Cc1nncn1C)C1CC1 ZINC000111226699 323158108 /nfs/dbraw/zinc/15/81/08/323158108.db2.gz BPUZLBQTJPSGKR-GHMZBOCLSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@H](c1cccc2ccccc21)N(C)CC(N)=O ZINC000049236932 323159328 /nfs/dbraw/zinc/15/93/28/323159328.db2.gz BUMNCUXZMBQCRM-LLVKDONJSA-N 0 1 242.322 2.318 20 0 BEADMN Cc1cc(F)ccc1NC(=O)CN(C)C(C)C ZINC000049398849 323160181 /nfs/dbraw/zinc/16/01/81/323160181.db2.gz KQRUBDLQDSJVIN-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC000532038725 323168875 /nfs/dbraw/zinc/16/88/75/323168875.db2.gz JAVQWLIBHZSTBF-LLVKDONJSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1cnc(CN2CC[C@H](CC)C2)o1 ZINC000532038799 323168968 /nfs/dbraw/zinc/16/89/68/323168968.db2.gz FLKDPMQETMEHGX-JTQLQIEISA-N 0 1 208.305 2.469 20 0 BEADMN CO[C@H]1C[C@H]2C[C@H](NC(CF)CF)C[C@H]2C1 ZINC000425370518 323173945 /nfs/dbraw/zinc/17/39/45/323173945.db2.gz OKLLOLCEPXHOER-OAQJZLMUSA-N 0 1 233.302 2.087 20 0 BEADMN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1ncn(C)n1 ZINC000391947989 323183614 /nfs/dbraw/zinc/18/36/14/323183614.db2.gz XOYLIEUSJGHSJO-RHYQMDGZSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000094122519 323187945 /nfs/dbraw/zinc/18/79/45/323187945.db2.gz FCBHDRVDKNLTEA-KWQFWETISA-N 0 1 237.274 2.450 20 0 BEADMN CCc1cnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000535727180 323189295 /nfs/dbraw/zinc/18/92/95/323189295.db2.gz UONOTRAFAZXEAC-LLVKDONJSA-N 0 1 220.316 2.469 20 0 BEADMN Cc1n[nH]cc1CN1CCC(OC(C)C)CC1 ZINC000535796677 323191688 /nfs/dbraw/zinc/19/16/88/323191688.db2.gz RILDQZFMORRODX-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN COc1ccccc1OCC[N@@H+](C)C1CC1 ZINC000051902571 323191885 /nfs/dbraw/zinc/19/18/85/323191885.db2.gz WPUCHXLCEORXLP-UHFFFAOYSA-N 0 1 221.300 2.168 20 0 BEADMN CC(C)Oc1cccc(CN2CCN(C)CC2)c1 ZINC000076409672 323192616 /nfs/dbraw/zinc/19/26/16/323192616.db2.gz YOPANHCZWAYXOF-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN Cc1[nH]ncc1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000063828097 323196443 /nfs/dbraw/zinc/19/64/43/323196443.db2.gz DBOWVUNYANWMAX-SECBINFHSA-N 0 1 241.294 2.482 20 0 BEADMN C[C@@H]1CCN(Cc2cnnn2C)[C@H]2CCCC[C@@H]12 ZINC000536639897 323199224 /nfs/dbraw/zinc/19/92/24/323199224.db2.gz XZKXIWYBNLXAKW-XBFCOCLRSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@H]1CCC[C@H](Sc2nc(N)cc(N)n2)C1 ZINC000070565323 323200901 /nfs/dbraw/zinc/20/09/01/323200901.db2.gz KHRPRYGVHVETHX-YUMQZZPRSA-N 0 1 238.360 2.312 20 0 BEADMN CCn1c(CNC[C@H](C)OC)nc2ccccc21 ZINC000223985745 323201102 /nfs/dbraw/zinc/20/11/02/323201102.db2.gz HGSIJTXUTMKVLH-NSHDSACASA-N 0 1 247.342 2.181 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1nnc2n1CCCC2 ZINC000336349277 323233251 /nfs/dbraw/zinc/23/32/51/323233251.db2.gz PBMPSMKCNSNBIB-LBPRGKRZSA-N 0 1 248.374 2.235 20 0 BEADMN CC[N@@H+](Cc1cn2cccnc2n1)C1CCC1 ZINC000532414721 323260656 /nfs/dbraw/zinc/26/06/56/323260656.db2.gz APXBSPUXCKXYTJ-UHFFFAOYSA-N 0 1 230.315 2.104 20 0 BEADMN CCC[C@H](N[C@@H](C(=O)OC)C1CC1)C1CCC1 ZINC000324710264 323268629 /nfs/dbraw/zinc/26/86/29/323268629.db2.gz BBGPFAXPPNANCE-QWHCGFSZSA-N 0 1 239.359 2.496 20 0 BEADMN CCCN(Cc1ccno1)C[C@@H]1CCCCO1 ZINC000532714441 323291593 /nfs/dbraw/zinc/29/15/93/323291593.db2.gz NZWSPXLACFTMDW-LBPRGKRZSA-N 0 1 238.331 2.456 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCCCCF)C1 ZINC000309140374 323320021 /nfs/dbraw/zinc/32/00/21/323320021.db2.gz WQHFJWLKLSXKKJ-GFCCVEGCSA-N 0 1 231.311 2.313 20 0 BEADMN COc1ccccc1CSCc1c[nH]nn1 ZINC000563935907 323327350 /nfs/dbraw/zinc/32/73/50/323327350.db2.gz MRTYPCSKJOCDBR-UHFFFAOYSA-N 0 1 235.312 2.247 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(CC)o1 ZINC000527783264 323690148 /nfs/dbraw/zinc/69/01/48/323690148.db2.gz RQKOCQMLGUWTHX-OLZOCXBDSA-N 0 1 223.316 2.499 20 0 BEADMN CCn1nc(C)c(CNCC[C@H]2CC=CCC2)n1 ZINC000527787169 323694238 /nfs/dbraw/zinc/69/42/38/323694238.db2.gz HZMNAJYNNXAXSG-ZDUSSCGKSA-N 0 1 248.374 2.442 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CC12CC2)c1csnn1 ZINC000527908986 323718854 /nfs/dbraw/zinc/71/88/54/323718854.db2.gz OGOUILBQSIBOMX-CIUDSAMLSA-N 0 1 223.345 2.377 20 0 BEADMN CCn1ncc(CN[C@H]2CC[C@H]2C(C)(C)C)n1 ZINC000527924051 323730468 /nfs/dbraw/zinc/73/04/68/323730468.db2.gz NWHOZGCDFMCPJU-NEPJUHHUSA-N 0 1 236.363 2.212 20 0 BEADMN CC1(C)CCN1Cc1cnn(CC(F)(F)F)c1 ZINC000537633889 324091930 /nfs/dbraw/zinc/09/19/30/324091930.db2.gz PXNGSKFHTHJMIV-UHFFFAOYSA-N 0 1 247.264 2.430 20 0 BEADMN O=C(NCc1ccccc1)c1ccc(F)cc1O ZINC000123178429 324093548 /nfs/dbraw/zinc/09/35/48/324093548.db2.gz NRTOMWKLTKDQGJ-UHFFFAOYSA-N 0 1 245.253 2.461 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)C[C@H]1C ZINC000572490204 324129626 /nfs/dbraw/zinc/12/96/26/324129626.db2.gz WVZRVDXPKGKSKK-NXEZZACHSA-N 0 1 213.321 2.360 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000572522970 324189214 /nfs/dbraw/zinc/18/92/14/324189214.db2.gz QUIYTDBSEYIQNV-CMPLNLGQSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N1CC(C)C1)c1ccccc1 ZINC000565182767 324213780 /nfs/dbraw/zinc/21/37/80/324213780.db2.gz UQWBOYCRRLSARE-OLZOCXBDSA-N 0 1 246.354 2.204 20 0 BEADMN CCC1(O)CCN(C/C=C(/C)Cl)CC1 ZINC000528388903 324217748 /nfs/dbraw/zinc/21/77/48/324217748.db2.gz JKCJEDHICZMBPE-WMZJFQQLSA-N 0 1 217.740 2.366 20 0 BEADMN CCCONC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000529511200 324319658 /nfs/dbraw/zinc/31/96/58/324319658.db2.gz YVCXQLPGQTYBRT-VIFPVBQESA-N 0 1 229.320 2.038 20 0 BEADMN CCCONC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000529511198 324319766 /nfs/dbraw/zinc/31/97/66/324319766.db2.gz YVCXQLPGQTYBRT-SECBINFHSA-N 0 1 229.320 2.038 20 0 BEADMN C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC(O)C1 ZINC000529544668 324334161 /nfs/dbraw/zinc/33/41/61/324334161.db2.gz UUZFWSGEQWFLOX-UHFFFAOYSA-N 0 1 230.311 2.123 20 0 BEADMN c1snnc1CNCC[C@@H]1CC=CCC1 ZINC000529667052 324373391 /nfs/dbraw/zinc/37/33/91/324373391.db2.gz TVCVGDQLPVKOBM-SNVBAGLBSA-N 0 1 223.345 2.374 20 0 BEADMN Cc1cc(C)nc(N2CCc3cnccc32)n1 ZINC000128054131 324803753 /nfs/dbraw/zinc/80/37/53/324803753.db2.gz LKFDMWJYUIAPNM-UHFFFAOYSA-N 0 1 226.283 2.183 20 0 BEADMN C[C@@H]1C[C@H](NCc2nccn2C(F)F)CS1 ZINC000397721408 487966074 /nfs/dbraw/zinc/96/60/74/487966074.db2.gz KJHCKQORWSDFSN-SFYZADRCSA-N 0 1 247.314 2.262 20 0 BEADMN CC[C@]1(C)CN([C@@H]2COC(C)(C)C2)CCO1 ZINC000660381020 487966675 /nfs/dbraw/zinc/96/66/75/487966675.db2.gz QWVHOZCNQVYNMA-WCQYABFASA-N 0 1 227.348 2.055 20 0 BEADMN COC[C@H](NCc1nccn1C(C)C)C(C)C ZINC000541593212 324967741 /nfs/dbraw/zinc/96/77/41/324967741.db2.gz WHVLRWWKDAUKBN-LBPRGKRZSA-N 0 1 239.363 2.225 20 0 BEADMN c1coc(-c2nnc(CNC3(C4CC4)CC3)o2)c1 ZINC000542520900 325033209 /nfs/dbraw/zinc/03/32/09/325033209.db2.gz GQUDUOZGBUCXOR-UHFFFAOYSA-N 0 1 245.282 2.362 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(F)cc1C(=O)[O-] ZINC000070849756 325037332 /nfs/dbraw/zinc/03/73/32/325037332.db2.gz YNVJHESWSRNEIE-UHFFFAOYSA-N 0 1 225.263 2.366 20 0 BEADMN CC[C@H](NC[C@H](OC)C(C)C)c1ccn(C)n1 ZINC000542678013 325041357 /nfs/dbraw/zinc/04/13/57/325041357.db2.gz ORXVBLKMIUZVPA-AAEUAGOBSA-N 0 1 239.363 2.132 20 0 BEADMN CCOC(=O)[C@H](C)N1CCc2ccccc2CC1 ZINC000071202972 325061589 /nfs/dbraw/zinc/06/15/89/325061589.db2.gz HNBBYTWWYLJAEC-LBPRGKRZSA-N 0 1 247.338 2.039 20 0 BEADMN c1cc(-c2noc(CNC3(C4CC4)CC3)n2)co1 ZINC000543452327 325089473 /nfs/dbraw/zinc/08/94/73/325089473.db2.gz SRTZUXVLQSUMKG-UHFFFAOYSA-N 0 1 245.282 2.362 20 0 BEADMN COC(=O)c1ccoc1CNC1(C2CC2)CC1 ZINC000543454637 325089625 /nfs/dbraw/zinc/08/96/25/325089625.db2.gz MYXFAZRMOZDYHV-UHFFFAOYSA-N 0 1 235.283 2.098 20 0 BEADMN Cc1ncccc1CN1CCS[C@H](C)C1 ZINC000131412249 325146682 /nfs/dbraw/zinc/14/66/82/325146682.db2.gz NJFYTQBGEXKLSN-SNVBAGLBSA-N 0 1 222.357 2.327 20 0 BEADMN CC(C)CSCCCN1CCOC[C@@H]1C ZINC000131952708 325192825 /nfs/dbraw/zinc/19/28/25/325192825.db2.gz QIXQYNCKYWZFGL-LBPRGKRZSA-N 0 1 231.405 2.486 20 0 BEADMN C[C@H](c1cnccn1)N1C[C@@H](C)S[C@H](C)C1 ZINC000545230454 325197741 /nfs/dbraw/zinc/19/77/41/325197741.db2.gz CLMKMWZEULOZBN-GMTAPVOTSA-N 0 1 237.372 2.363 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC1 ZINC000132188770 325203844 /nfs/dbraw/zinc/20/38/44/325203844.db2.gz UJRPNXXPZVIKHM-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)N1CCCCC1 ZINC000073598149 325204882 /nfs/dbraw/zinc/20/48/82/325204882.db2.gz CLADDCKQHDMLRI-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H]1CCN(c2ccncc2C(N)=O)CC1(C)C ZINC000546580536 325288512 /nfs/dbraw/zinc/28/85/12/325288512.db2.gz VCXRQAJAULKYLK-JTQLQIEISA-N 0 1 247.342 2.053 20 0 BEADMN Cc1nc(CN2CCC[C@@]2(C)CO)c(C)s1 ZINC000546809445 325312784 /nfs/dbraw/zinc/31/27/84/325312784.db2.gz PFLNFYGQDOJVJP-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN CN(C)C(=O)[C@H](c1ccccc1)N(C)CC1CC1 ZINC000077194454 325369081 /nfs/dbraw/zinc/36/90/81/325369081.db2.gz JMAPRFWABDCTIX-AWEZNQCLSA-N 0 1 246.354 2.158 20 0 BEADMN CC(C)c1cnc(CNCC(C)(C)O)s1 ZINC000134848333 325378818 /nfs/dbraw/zinc/37/88/18/325378818.db2.gz VZJVHDULWHSOML-UHFFFAOYSA-N 0 1 228.361 2.127 20 0 BEADMN CC(C)c1cnc(CNC2(CO)CCC2)s1 ZINC000134860661 325379658 /nfs/dbraw/zinc/37/96/58/325379658.db2.gz MHGLZNBBNNYNSC-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN CN(CCOCC(F)(F)F)Cc1ccco1 ZINC000077676055 325388080 /nfs/dbraw/zinc/38/80/80/325388080.db2.gz CAYMYZQTCARQBE-UHFFFAOYSA-N 0 1 237.221 2.290 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1[C@H](C)C[C@H]1C ZINC000547770526 325395640 /nfs/dbraw/zinc/39/56/40/325395640.db2.gz MQJHVPSWLWWKJD-MXWKQRLJSA-N 0 1 226.364 2.162 20 0 BEADMN CC[C@]1(C)CN([C@H]2COC(C)(C)C2)CCO1 ZINC000660381019 487967525 /nfs/dbraw/zinc/96/75/25/487967525.db2.gz QWVHOZCNQVYNMA-DGCLKSJQSA-N 0 1 227.348 2.055 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@H]2C)oc1C ZINC000548752736 325478275 /nfs/dbraw/zinc/47/82/75/325478275.db2.gz FDIMODUDHUGPQI-RKDXNWHRSA-N 0 1 237.299 2.357 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N1[C@H](C)C[C@H]1C ZINC000548754150 325478663 /nfs/dbraw/zinc/47/86/63/325478663.db2.gz DIQKAXGEAQWYCI-UPJWGTAASA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H](Cc1cnccn1)N[C@@H](C)c1cscn1 ZINC000551999933 325582301 /nfs/dbraw/zinc/58/23/01/325582301.db2.gz OUOZSHSUJOQJLH-UWVGGRQHSA-N 0 1 248.355 2.215 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)C1 ZINC000247306897 325589609 /nfs/dbraw/zinc/58/96/09/325589609.db2.gz QBIIGRQGLWMKAC-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN CCn1ncnc1CN[C@H](C)CCc1ccco1 ZINC000088590793 325659789 /nfs/dbraw/zinc/65/97/89/325659789.db2.gz KQVNLFKFTJLSJZ-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000552918659 325669458 /nfs/dbraw/zinc/66/94/58/325669458.db2.gz DOZMIZUZOFBMDN-CHWSQXEVSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000552918662 325669530 /nfs/dbraw/zinc/66/95/30/325669530.db2.gz DOZMIZUZOFBMDN-STQMWFEESA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C(=O)NCC(C)(C)C1CCCC1)N(C)C ZINC000677110969 487969586 /nfs/dbraw/zinc/96/95/86/487969586.db2.gz CTYWPQMARHKNDE-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)[C@H](N)c2ccccc2)CC1 ZINC000252713990 325692229 /nfs/dbraw/zinc/69/22/29/325692229.db2.gz QSVBSWVBAMFQRB-MRVWCRGKSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H](N[C@H]1CC[C@H](O)CC1)c1cscn1 ZINC000252729275 325693330 /nfs/dbraw/zinc/69/33/30/325693330.db2.gz FZJQJIFPNXGLQO-GUBZILKMSA-N 0 1 226.345 2.097 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1nccs1 ZINC000565048314 325851638 /nfs/dbraw/zinc/85/16/38/325851638.db2.gz LICSBAHSAPKSTH-ZJUUUORDSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@@H](C(=O)N(C)C1(C)CCCC1)N1CC(C)C1 ZINC000565193933 325872039 /nfs/dbraw/zinc/87/20/39/325872039.db2.gz BVIONPMYJUWYOZ-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN CO[C@@H](CNCc1nc(C)c(C)[nH]1)C(C)(C)C ZINC000565242316 325885603 /nfs/dbraw/zinc/88/56/03/325885603.db2.gz NCDDQNHXZDQDPC-NSHDSACASA-N 0 1 239.363 2.177 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1occc1C(=O)[O-] ZINC000566363141 326037419 /nfs/dbraw/zinc/03/74/19/326037419.db2.gz XBRCDMMPPWQXMN-DTORHVGOSA-N 0 1 223.272 2.351 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(F)F ZINC000566361911 326037647 /nfs/dbraw/zinc/03/76/47/326037647.db2.gz OJGBUHAKRXOCIJ-VIFPVBQESA-N 0 1 237.290 2.463 20 0 BEADMN CCCC1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000566443730 326048252 /nfs/dbraw/zinc/04/82/52/326048252.db2.gz ZIXVNQAZCSALLH-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000566587852 326066412 /nfs/dbraw/zinc/06/64/12/326066412.db2.gz KWJPWDOKGHQQBU-WDEREUQCSA-N 0 1 220.316 2.265 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000566587852 326066413 /nfs/dbraw/zinc/06/64/13/326066413.db2.gz KWJPWDOKGHQQBU-WDEREUQCSA-N 0 1 220.316 2.265 20 0 BEADMN CC(C)(C)OCCN1CCOC[C@H]1C1CCC1 ZINC000566618564 326068590 /nfs/dbraw/zinc/06/85/90/326068590.db2.gz RUWWPGCKRXUKKF-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C1 ZINC000566979314 326099834 /nfs/dbraw/zinc/09/98/34/326099834.db2.gz SNIIJQMWDFBBQG-GXFFZTMASA-N 0 1 233.311 2.463 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)CN(CC)C1CC1 ZINC000153616325 326103607 /nfs/dbraw/zinc/10/36/07/326103607.db2.gz ACLAQAWXLXBGBR-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000567059672 326108863 /nfs/dbraw/zinc/10/88/63/326108863.db2.gz DKQGJBYKBVECKR-AAEUAGOBSA-N 0 1 249.358 2.235 20 0 BEADMN CCN(CC(C)C)[C@H](C)c1nnc(C)o1 ZINC000153775963 326112663 /nfs/dbraw/zinc/11/26/63/326112663.db2.gz MXEZSZDPLZMCNR-SECBINFHSA-N 0 1 211.309 2.417 20 0 BEADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153983778 326123418 /nfs/dbraw/zinc/12/34/18/326123418.db2.gz GUAAVOGGWLEAID-ZANVPECISA-N 0 1 244.298 2.333 20 0 BEADMN COc1nccnc1CN(C)[C@@H](C)C(C)(C)C ZINC000567188656 326132270 /nfs/dbraw/zinc/13/22/70/326132270.db2.gz WZMZZSHUWFZBRK-JTQLQIEISA-N 0 1 237.347 2.352 20 0 BEADMN CCSCCNCc1cc(CC)no1 ZINC000308579381 326134784 /nfs/dbraw/zinc/13/47/84/326134784.db2.gz FWTUAPGGJBPUMG-UHFFFAOYSA-N 0 1 214.334 2.080 20 0 BEADMN C[C@@H]1CCCN1CC(=O)Nc1ccc(F)cc1 ZINC000154448637 326144737 /nfs/dbraw/zinc/14/47/37/326144737.db2.gz BWQXPHHEODKDTE-SNVBAGLBSA-N 0 1 236.290 2.249 20 0 BEADMN CC1(C)CCC[C@H](Sc2c[nH]nn2)C1=O ZINC000567239479 326149040 /nfs/dbraw/zinc/14/90/40/326149040.db2.gz OGPUVDKNWCQFGE-ZETCQYMHSA-N 0 1 225.317 2.045 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1CC[C@H](F)C1 ZINC000567255272 326151101 /nfs/dbraw/zinc/15/11/01/326151101.db2.gz RNCBLKUGPMJOSV-VHSXEESVSA-N 0 1 241.262 2.046 20 0 BEADMN COC(=O)c1occc1CN[C@H]1CC[C@@H](F)C1 ZINC000567255273 326151190 /nfs/dbraw/zinc/15/11/90/326151190.db2.gz RNCBLKUGPMJOSV-ZJUUUORDSA-N 0 1 241.262 2.046 20 0 BEADMN C[C@@H](C(=O)N1CCCCC[C@@H]1C)N1CC(C)C1 ZINC000567288607 326154173 /nfs/dbraw/zinc/15/41/73/326154173.db2.gz UGMMMXDTYLYEMK-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000567288462 326156493 /nfs/dbraw/zinc/15/64/93/326156493.db2.gz PWBUDCGVFKXSKT-RYUDHWBXSA-N 0 1 249.358 2.093 20 0 BEADMN CCCCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155464940 326197159 /nfs/dbraw/zinc/19/71/59/326197159.db2.gz BPRGZAWRYHQYBL-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC12CC2 ZINC000567464939 326198078 /nfs/dbraw/zinc/19/80/78/326198078.db2.gz CBGKLGPPNIENRW-VIFPVBQESA-N 0 1 233.315 2.124 20 0 BEADMN C[C@H](C[N@@H+](CC1CC(F)(F)C1)C1CC1)C(=O)[O-] ZINC000567509413 326206942 /nfs/dbraw/zinc/20/69/42/326206942.db2.gz DVMXICLHQUIJDK-MRVPVSSYSA-N 0 1 247.285 2.217 20 0 BEADMN CC/C=C\CC[N@H+](CC(=O)[O-])CC(C)C ZINC000567596116 326225209 /nfs/dbraw/zinc/22/52/09/326225209.db2.gz XYUGYKHIYFFEIY-WAYWQWQTSA-N 0 1 213.321 2.385 20 0 BEADMN CCOC[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156484658 326233836 /nfs/dbraw/zinc/23/38/36/326233836.db2.gz ONHYJDZWHXQJAW-JQWIXIFHSA-N 0 1 241.331 2.290 20 0 BEADMN CC[C@H]1COCCN1CCc1ncc(C)cc1C ZINC000567761973 326256255 /nfs/dbraw/zinc/25/62/55/326256255.db2.gz UNCFJPQVOYHZKQ-AWEZNQCLSA-N 0 1 248.370 2.352 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867131 326273203 /nfs/dbraw/zinc/27/32/03/326273203.db2.gz HJNMAFVKAYKADT-RYUDHWBXSA-N 0 1 227.348 2.465 20 0 BEADMN CCN(Cc1ccc(OC)cc1F)[C@@H](C)CO ZINC000567904239 326280403 /nfs/dbraw/zinc/28/04/03/326280403.db2.gz URTXSLAFSLQZCM-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1[C@@H](C)C[C@@H]1C ZINC000567930390 326285055 /nfs/dbraw/zinc/28/50/55/326285055.db2.gz FJSXZYGXQCJYTI-DCAQKATOSA-N 0 1 213.321 2.057 20 0 BEADMN CCc1nnc([C@@H](C)N(CC)CC2CC2)o1 ZINC000157816089 326296562 /nfs/dbraw/zinc/29/65/62/326296562.db2.gz CGUBNQPZYPIYQV-SECBINFHSA-N 0 1 223.320 2.425 20 0 BEADMN CCc1noc([C@H](C)N(CC)CC2CC2)n1 ZINC000157832332 326297544 /nfs/dbraw/zinc/29/75/44/326297544.db2.gz SXRPCFQMAFKNRH-VIFPVBQESA-N 0 1 223.320 2.425 20 0 BEADMN C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000568061928 326302361 /nfs/dbraw/zinc/30/23/61/326302361.db2.gz XKOYSADCXUQOHP-CYBMUJFWSA-N 0 1 233.311 2.339 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@]1(C)C(=O)[O-] ZINC000568075721 326304718 /nfs/dbraw/zinc/30/47/18/326304718.db2.gz ZHXMPBVTEDWIEC-WZRBSPASSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H](C[N@@H+](CCc1ccccc1)C1CC1)C(=O)[O-] ZINC000568074804 326304900 /nfs/dbraw/zinc/30/49/00/326304900.db2.gz PUXUBSBDKMEZPF-LBPRGKRZSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC[C@@H](C)C(C)(C)C1 ZINC000568168195 326318971 /nfs/dbraw/zinc/31/89/71/326318971.db2.gz ZTHGGIUHFJNYSC-MNOVXSKESA-N 0 1 248.374 2.318 20 0 BEADMN CCC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CCCC1 ZINC000568228442 326329704 /nfs/dbraw/zinc/32/97/04/326329704.db2.gz ZXHPXSQJQZEBBX-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN OCc1ccc(CNc2cc3c(cn2)CCC3)o1 ZINC000568420886 326356890 /nfs/dbraw/zinc/35/68/90/326356890.db2.gz XFTDWGMCQDPHPN-UHFFFAOYSA-N 0 1 244.294 2.268 20 0 BEADMN CCN(CC(=O)N(CC)[C@@H](C)C(C)C)C1CC1 ZINC000568446530 326357129 /nfs/dbraw/zinc/35/71/29/326357129.db2.gz NXUDLQQIMJYKRJ-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(=O)CCCN1CCOC[C@H]1C1CCC1 ZINC000568863906 326378811 /nfs/dbraw/zinc/37/88/11/326378811.db2.gz YYSPFMALEXDXQU-AWEZNQCLSA-N 0 1 239.359 2.247 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@H]2CS3)nc2c1CCC2 ZINC000568959160 326383654 /nfs/dbraw/zinc/38/36/54/326383654.db2.gz CHKHYBJJSWZGES-STQMWFEESA-N 0 1 246.379 2.260 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCCOCC(F)F ZINC000682532826 487978847 /nfs/dbraw/zinc/97/88/47/487978847.db2.gz GDCMJUXISZYTDE-ZETCQYMHSA-N 0 1 248.273 2.224 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)N(C)C ZINC000666028364 487987645 /nfs/dbraw/zinc/98/76/45/487987645.db2.gz UYMOYGRNJHWANH-SDDRHHMPSA-N 0 1 240.391 2.268 20 0 BEADMN CCN1CCN(C(=O)C2=C(C)CCC2)C[C@H]1C ZINC000677177606 487992067 /nfs/dbraw/zinc/99/20/67/487992067.db2.gz QXDBQEOJMCETHS-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN COCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674012840 487993269 /nfs/dbraw/zinc/99/32/69/487993269.db2.gz FRKYNQARPSCMED-GFCCVEGCSA-N 0 1 209.264 2.219 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccncc1Cl ZINC000084085756 487998749 /nfs/dbraw/zinc/99/87/49/487998749.db2.gz IKNKBHPTIPQIJV-JTQLQIEISA-N 0 1 242.706 2.030 20 0 BEADMN CC[N@@H+](CCCC(C)C)CCC(=O)[O-] ZINC000165506148 488007886 /nfs/dbraw/zinc/00/78/86/488007886.db2.gz JZJQYVHNAMJMSL-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CN(Cc1cnn2c1CCC2)Cc1ccccc1 ZINC000667461591 488012696 /nfs/dbraw/zinc/01/26/96/488012696.db2.gz HAPBOAFTWDVPTJ-UHFFFAOYSA-N 0 1 241.338 2.461 20 0 BEADMN C[C@@H](Cc1ccccn1)NCc1cscn1 ZINC000655842972 488012801 /nfs/dbraw/zinc/01/28/01/488012801.db2.gz GNYODJGRPMBJMK-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN CCN(CC)Cc1c(C2CC2)cnn1C ZINC000667470098 488016083 /nfs/dbraw/zinc/01/60/83/488016083.db2.gz OHFDMZFILJMOPV-UHFFFAOYSA-N 0 1 207.321 2.139 20 0 BEADMN CCN(CC)Cc1ccnn1CC1CC1 ZINC000667469812 488016282 /nfs/dbraw/zinc/01/62/82/488016282.db2.gz FOEBNZCNDOEOKQ-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CC(=O)c1sc([C@H]2CCCCN2)nc1C ZINC000084149835 488026505 /nfs/dbraw/zinc/02/65/05/488026505.db2.gz NJVKOVLBMHAZNY-SECBINFHSA-N 0 1 224.329 2.469 20 0 BEADMN C[C@H]1CC[C@@H](CN2CCOc3ccccc3C2)O1 ZINC000682754552 488028161 /nfs/dbraw/zinc/02/81/61/488028161.db2.gz CTABRGODGNVQDS-JSGCOSHPSA-N 0 1 247.338 2.449 20 0 BEADMN C[C@H]1CC[C@@H](CN2CC3(C2)CC(F)(F)C3)O1 ZINC000682767549 488034350 /nfs/dbraw/zinc/03/43/50/488034350.db2.gz ADCIVMBSQXCHGR-UWVGGRQHSA-N 0 1 231.286 2.285 20 0 BEADMN CC[C@H](C)CN(C)Cc1cn(C2CCC2)nn1 ZINC000667530388 488038592 /nfs/dbraw/zinc/03/85/92/488038592.db2.gz XUMIOAQEEJYCSZ-NSHDSACASA-N 0 1 236.363 2.481 20 0 BEADMN CC[C@@H]1CCCN1Cc1cn(C2CCC2)nn1 ZINC000667544253 488041800 /nfs/dbraw/zinc/04/18/00/488041800.db2.gz AXDYDTYIQLTCJD-GFCCVEGCSA-N 0 1 234.347 2.378 20 0 BEADMN CCN(C(=O)c1cnc(C)[nH]1)[C@@H](C)C(C)C ZINC000647743767 488053913 /nfs/dbraw/zinc/05/39/13/488053913.db2.gz VSPQEZBFKKYGLI-VIFPVBQESA-N 0 1 223.320 2.225 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000682852972 488054059 /nfs/dbraw/zinc/05/40/59/488054059.db2.gz KQUCLTBCBPFMLQ-NEPJUHHUSA-N 0 1 237.274 2.436 20 0 BEADMN c1nc(CN2CCC([C@@H]3CCCCO3)CC2)c[nH]1 ZINC000661865836 488066563 /nfs/dbraw/zinc/06/65/63/488066563.db2.gz GHFLAIGONFCVPC-AWEZNQCLSA-N 0 1 249.358 2.191 20 0 BEADMN C[C@@H](CCn1cccn1)N[C@H]1CCCC1(F)F ZINC000672621604 488066572 /nfs/dbraw/zinc/06/65/72/488066572.db2.gz BEPLZZSGULYCNS-QWRGUYRKSA-N 0 1 243.301 2.439 20 0 BEADMN C[C@H](CCn1cccn1)N[C@H]1CCCC1(F)F ZINC000672621603 488066946 /nfs/dbraw/zinc/06/69/46/488066946.db2.gz BEPLZZSGULYCNS-MNOVXSKESA-N 0 1 243.301 2.439 20 0 BEADMN CCCNc1ccccc1NC(=O)[C@H](C)N(C)C ZINC000682931808 488067120 /nfs/dbraw/zinc/06/71/20/488067120.db2.gz PADHCTQPYQREGG-NSHDSACASA-N 0 1 249.358 2.397 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cn(C3CCC3)nn2)C1 ZINC000667664814 488079806 /nfs/dbraw/zinc/07/98/06/488079806.db2.gz TXFSSKUWBDIILM-GHMZBOCLSA-N 0 1 234.347 2.233 20 0 BEADMN CCN(Cc1cc(C)ccn1)C[C@@H]1CCCO1 ZINC000683005865 488086578 /nfs/dbraw/zinc/08/65/78/488086578.db2.gz GLRCDQMNKQPVOM-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361058 488091612 /nfs/dbraw/zinc/09/16/12/488091612.db2.gz JYFMQIGASNQXOX-NEPJUHHUSA-N 0 1 223.316 2.424 20 0 BEADMN CC[C@@H]1CCN(Cc2cn(C3CCC3)nn2)C1 ZINC000667697411 488092357 /nfs/dbraw/zinc/09/23/57/488092357.db2.gz ZYDVLKSZONJCFJ-LLVKDONJSA-N 0 1 234.347 2.235 20 0 BEADMN O=C1NCCCC[C@H]1N1CC[C@H]1c1ccccc1 ZINC000677687081 488092440 /nfs/dbraw/zinc/09/24/40/488092440.db2.gz CXCPGEBUUTYQDS-UONOGXRCSA-N 0 1 244.338 2.102 20 0 BEADMN Cc1cccc(C[N@@H+](CC(=O)[O-])C2CCCC2)n1 ZINC000092430880 488095154 /nfs/dbraw/zinc/09/51/54/488095154.db2.gz JPMPCQHGMFIIQX-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCCn1nccc1CNCc1ccc(C)nc1 ZINC000160142305 488108535 /nfs/dbraw/zinc/10/85/35/488108535.db2.gz CVEYZYSELXKMHK-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN C1CN[C@H](c2noc(C3CCSCC3)n2)C1 ZINC000258430077 488117068 /nfs/dbraw/zinc/11/70/68/488117068.db2.gz GZAWTOSZOBXVGA-VIFPVBQESA-N 0 1 239.344 2.105 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403203067 488117788 /nfs/dbraw/zinc/11/77/88/488117788.db2.gz GEOWGPZXRXHGQW-UTUOFQBUSA-N 0 1 225.332 2.218 20 0 BEADMN CC(NCc1csnn1)(C1CC1)C1CC1 ZINC000668695472 488125114 /nfs/dbraw/zinc/12/51/14/488125114.db2.gz GRTHAYZQKFOITD-UHFFFAOYSA-N 0 1 223.345 2.206 20 0 BEADMN CCc1noc(CN2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000674252335 487538162 /nfs/dbraw/zinc/53/81/62/487538162.db2.gz PAGHZJYXWCIHPC-QWRGUYRKSA-N 0 1 235.331 2.254 20 0 BEADMN COC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000296250886 487539996 /nfs/dbraw/zinc/53/99/96/487539996.db2.gz BHIVTQNQOHWTHN-JTQLQIEISA-N 0 1 223.320 2.020 20 0 BEADMN C[C@@H](C(=O)Nc1ccccc1Cl)N(C)C ZINC000674266302 487542256 /nfs/dbraw/zinc/54/22/56/487542256.db2.gz OMUJWMDRUPEVPC-QMMMGPOBSA-N 0 1 226.707 2.229 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674266334 487542639 /nfs/dbraw/zinc/54/26/39/487542639.db2.gz PSKCGMCDEPLBCK-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674266336 487542449 /nfs/dbraw/zinc/54/24/49/487542449.db2.gz PSKCGMCDEPLBCK-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668790511 487543102 /nfs/dbraw/zinc/54/31/02/487543102.db2.gz AHHDDTYCRRCTCD-NEPJUHHUSA-N 0 1 248.374 2.379 20 0 BEADMN Cc1cc(C[N@@H+]2CC=C(C)CC2)oc1C(=O)[O-] ZINC000382531179 487545051 /nfs/dbraw/zinc/54/50/51/487545051.db2.gz HUCYKHZZBKZHRJ-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791738 487545625 /nfs/dbraw/zinc/54/56/25/487545625.db2.gz XRWMIYJGQQSKBZ-CMPLNLGQSA-N 0 1 246.358 2.155 20 0 BEADMN CC1(C)CCC[C@@H](C[N@H+]2CCc3n[nH]nc3C2)C1 ZINC000668791363 487545817 /nfs/dbraw/zinc/54/58/17/487545817.db2.gz JCRHVUSZCBHALL-LLVKDONJSA-N 0 1 248.374 2.379 20 0 BEADMN CC1(C)CCC[C@@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791363 487545823 /nfs/dbraw/zinc/54/58/23/487545823.db2.gz JCRHVUSZCBHALL-LLVKDONJSA-N 0 1 248.374 2.379 20 0 BEADMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](C)N(C)C ZINC000674286982 487546900 /nfs/dbraw/zinc/54/69/00/487546900.db2.gz LDGBMGBCPXUKIL-FZMZJTMJSA-N 0 1 246.354 2.049 20 0 BEADMN CCC1CCC(N(C)C(=O)[C@H](C)N(C)C)CC1 ZINC000674286789 487547501 /nfs/dbraw/zinc/54/75/01/487547501.db2.gz YEBZUBQBEKMREN-HIFPTAJRSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2ncsc2c1)N(C)C ZINC000674286732 487547593 /nfs/dbraw/zinc/54/75/93/487547593.db2.gz VOZXSXBURSVOEH-QMMMGPOBSA-N 0 1 249.339 2.185 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000674288330 487548839 /nfs/dbraw/zinc/54/88/39/487548839.db2.gz BTAKJLKARQGOSM-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCN(C(=O)[C@H](C)N(C)C)[C@@H](C)CC ZINC000674287884 487549029 /nfs/dbraw/zinc/54/90/29/487549029.db2.gz PJIRXTXGIMINEI-RYUDHWBXSA-N 0 1 228.380 2.364 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000674288331 487548939 /nfs/dbraw/zinc/54/89/39/487548939.db2.gz BTAKJLKARQGOSM-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccc([C@H](C)CNC(=O)[C@H](C)N(C)C)cc1 ZINC000674288418 487549564 /nfs/dbraw/zinc/54/95/64/487549564.db2.gz FLGNFUVZTLCZRK-OLZOCXBDSA-N 0 1 248.370 2.165 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)N(C)C ZINC000674289116 487549761 /nfs/dbraw/zinc/54/97/61/487549761.db2.gz VTNHSVXCUWFXDM-QNWHQSFQSA-N 0 1 238.375 2.022 20 0 BEADMN CN1CC[C@@H](NCC(F)F)[C@@H]1c1ccccc1 ZINC000685582120 487550405 /nfs/dbraw/zinc/55/04/05/487550405.db2.gz TVFQODIUXXAQNC-YPMHNXCESA-N 0 1 240.297 2.287 20 0 BEADMN FC1(F)CC2(CN(CCc3ccncc3)C2)C1 ZINC000685570111 487551115 /nfs/dbraw/zinc/55/11/15/487551115.db2.gz ORVBGTJVKUVDFL-UHFFFAOYSA-N 0 1 238.281 2.355 20 0 BEADMN C[C@H](C(=O)Nc1cc(N(C)C)ccn1)C1CC1 ZINC000680254657 487553568 /nfs/dbraw/zinc/55/35/68/487553568.db2.gz AYOBRAMCYNKSDL-VIFPVBQESA-N 0 1 233.315 2.132 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000086790439 487556137 /nfs/dbraw/zinc/55/61/37/487556137.db2.gz RUSKJHLHQHOCIH-WCQYABFASA-N 0 1 231.295 2.080 20 0 BEADMN COc1ccnc(CN2CC[C@H](C(F)F)C2)c1 ZINC000680071128 487532360 /nfs/dbraw/zinc/53/23/60/487532360.db2.gz UEHSPSXFLJQZEX-VIFPVBQESA-N 0 1 242.269 2.177 20 0 BEADMN Cc1cc(C)cc(NC(=O)[C@H](C)N(C)C)c1 ZINC000674244155 487532533 /nfs/dbraw/zinc/53/25/33/487532533.db2.gz FUOFADWELJOFGY-NSHDSACASA-N 0 1 220.316 2.192 20 0 BEADMN CC(C)[C@H](NC(=O)[C@H](N)c1ccccc1)C1CC1 ZINC000324115842 487532795 /nfs/dbraw/zinc/53/27/95/487532795.db2.gz RQDZNISNVGKVBO-KGLIPLIRSA-N 0 1 246.354 2.237 20 0 BEADMN Cc1cccnc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000161043307 487473586 /nfs/dbraw/zinc/47/35/86/487473586.db2.gz MKPHWZKTRJUHQB-GFCCVEGCSA-N 0 1 248.326 2.219 20 0 BEADMN O=C([O-])[C@H]1C[N@@H+](CCCF)Cc2ccccc21 ZINC000161056172 487474072 /nfs/dbraw/zinc/47/40/72/487474072.db2.gz ISDMYVDMQRKOOO-LBPRGKRZSA-N 0 1 237.274 2.030 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)c2nccn21 ZINC000668223787 487478719 /nfs/dbraw/zinc/47/87/19/487478719.db2.gz TVPQAVQAKWGLIV-LPTSXCQYSA-N 0 1 247.342 2.046 20 0 BEADMN COCC1(C[N@@H+](C)Cc2ccccn2)CCC1 ZINC000295047616 487480624 /nfs/dbraw/zinc/48/06/24/487480624.db2.gz AXAGNPIDDQCSOM-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000399588800 487489903 /nfs/dbraw/zinc/48/99/03/487489903.db2.gz UPSACJIFXRAXJW-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+]([C@@H]1C=CCCC1)C1(C(=O)[O-])CCCC1 ZINC000381063585 487494399 /nfs/dbraw/zinc/49/43/99/487494399.db2.gz LYPADLUJWGZMJN-LLVKDONJSA-N 0 1 223.316 2.424 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@@H]1C(=O)[O-])C1CC1 ZINC000406055630 487498170 /nfs/dbraw/zinc/49/81/70/487498170.db2.gz KDPMNBYKPPLPKW-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000406083576 487500124 /nfs/dbraw/zinc/50/01/24/487500124.db2.gz YPVBJYPSZRUMFV-JTQLQIEISA-N 0 1 225.332 2.219 20 0 BEADMN CN[C@H](C)c1cn(CCCc2ccccc2)nn1 ZINC000381313155 487504247 /nfs/dbraw/zinc/50/42/47/487504247.db2.gz QAWHGUYIEHVHQH-GFCCVEGCSA-N 0 1 244.342 2.191 20 0 BEADMN CC[C@@H](O)CN(C)Cc1cc(C)ccc1F ZINC000339128452 488143257 /nfs/dbraw/zinc/14/32/57/488143257.db2.gz GYJGOOIIWOQTPU-GFCCVEGCSA-N 0 1 225.307 2.337 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(C)cc2F)n[nH]1 ZINC000674094726 487519156 /nfs/dbraw/zinc/51/91/56/487519156.db2.gz XCASNDLWZNUKKW-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2coc(C)n2)C1(C)C ZINC000660701628 487523260 /nfs/dbraw/zinc/52/32/60/487523260.db2.gz UBKZBJOKMRHEOP-DGCLKSJQSA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1csc(C)c1 ZINC000379786301 488152432 /nfs/dbraw/zinc/15/24/32/488152432.db2.gz HYAMQAZSMCOPRR-SNVBAGLBSA-N 0 1 227.329 2.352 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000379831473 488152080 /nfs/dbraw/zinc/15/20/80/488152080.db2.gz CUAQSIYTDFAOLA-SNVBAGLBSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)[N@@H+](CCCCCF)CCC(=O)[O-] ZINC000379786220 488152120 /nfs/dbraw/zinc/15/21/20/488152120.db2.gz BBTWKUPFKUPIFG-UHFFFAOYSA-N 0 1 219.300 2.311 20 0 BEADMN c1c(CNC2CC2)nnn1C1CCCCC1 ZINC000085273394 488155050 /nfs/dbraw/zinc/15/50/50/488155050.db2.gz JAWJAWYOJJGDLJ-UHFFFAOYSA-N 0 1 220.320 2.035 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000674245039 487534116 /nfs/dbraw/zinc/53/41/16/487534116.db2.gz ZEYWCBOQYQYHFD-RYUDHWBXSA-N 0 1 228.380 2.268 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C ZINC000674244287 487534261 /nfs/dbraw/zinc/53/42/61/487534261.db2.gz AOLYHKSAJPFCMV-VIFPVBQESA-N 0 1 231.299 2.057 20 0 BEADMN C[C@@H]1CCN(c2ncnc3[nH]cnc32)CC1(C)C ZINC000680530498 487612410 /nfs/dbraw/zinc/61/24/10/487612410.db2.gz MZALXYNHBHFKFD-SECBINFHSA-N 0 1 245.330 2.225 20 0 BEADMN COc1cc(C)c(CN2CC3(CC3)C2)c(C)n1 ZINC000335383247 487622742 /nfs/dbraw/zinc/62/27/42/487622742.db2.gz SEMINCRJGWFOFW-UHFFFAOYSA-N 0 1 232.327 2.303 20 0 BEADMN CCC1(C(=O)N[C@@H]2CCCN(C)C2)CCCC1 ZINC000674922772 487655252 /nfs/dbraw/zinc/65/52/52/487655252.db2.gz IKQFVDWUWUWBSW-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC[N@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000680997144 487690097 /nfs/dbraw/zinc/69/00/97/487690097.db2.gz UXNMVWFMFSUKFN-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCc1ccc(CN2CCCOC[C@@H]2C)o1 ZINC000678272255 487800866 /nfs/dbraw/zinc/80/08/66/487800866.db2.gz CLAZFIZKRIBGHA-NSHDSACASA-N 0 1 223.316 2.453 20 0 BEADMN CC(C)CNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000083368847 487908019 /nfs/dbraw/zinc/90/80/19/487908019.db2.gz OGEOSWBWFMPUDW-NSHDSACASA-N 0 1 240.734 2.112 20 0 BEADMN CC[N@H+]1CCN(C(=O)C2=CCCCC2)C[C@H]1C ZINC000682163359 487920080 /nfs/dbraw/zinc/92/00/80/487920080.db2.gz JYFQXSMWAGCOMJ-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)C2=CCCCC2)C[C@H]1C ZINC000682163359 487920085 /nfs/dbraw/zinc/92/00/85/487920085.db2.gz JYFQXSMWAGCOMJ-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1N(Cc2ccc(O)cc2)CCOC1(C)C ZINC000682404021 487947809 /nfs/dbraw/zinc/94/78/09/487947809.db2.gz ABIKHWUANDNVQY-NSHDSACASA-N 0 1 235.327 2.392 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000668598829 487987431 /nfs/dbraw/zinc/98/74/31/487987431.db2.gz OGSJJQNFKABYEI-TZQJONAQSA-N 0 1 247.338 2.360 20 0 BEADMN CC(C)=CCCSc1nc(N)cc(N)n1 ZINC000657232376 488108014 /nfs/dbraw/zinc/10/80/14/488108014.db2.gz XTWGFGTYEKEGLB-UHFFFAOYSA-N 0 1 224.333 2.089 20 0 BEADMN C[C@H](O)C1(NCc2ccc(Cl)cc2F)CC1 ZINC000668700964 488135215 /nfs/dbraw/zinc/13/52/15/488135215.db2.gz GIJIXWBATPTETB-QMMMGPOBSA-N 0 1 243.709 2.482 20 0 BEADMN CN[C@@H](C)c1cn(-c2cccc(Cl)c2)nn1 ZINC000258818364 488137333 /nfs/dbraw/zinc/13/73/33/488137333.db2.gz RGWHQFFHEYPIHV-QMMMGPOBSA-N 0 1 236.706 2.201 20 0 BEADMN CC1(C)CCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000294305728 488147652 /nfs/dbraw/zinc/14/76/52/488147652.db2.gz XGFLMRNPTYLNSQ-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN Cc1cc(CNC(=O)c2cccn2C(C)C)n[nH]1 ZINC000677890370 488149723 /nfs/dbraw/zinc/14/97/23/488149723.db2.gz OJHJVERDADJRQQ-UHFFFAOYSA-N 0 1 246.314 2.031 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCCCF ZINC000379776746 488151942 /nfs/dbraw/zinc/15/19/42/488151942.db2.gz DPVVHSSWCRQWNL-NSHDSACASA-N 0 1 217.284 2.065 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C3CC3)C2)n1 ZINC000677905235 488152333 /nfs/dbraw/zinc/15/23/33/488152333.db2.gz DGZYGJISYUERJQ-GZMMTYOYSA-N 0 1 221.304 2.171 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000379826176 488153158 /nfs/dbraw/zinc/15/31/58/488153158.db2.gz WMPSAXZIRFQKGF-NXEZZACHSA-N 0 1 215.337 2.321 20 0 BEADMN CN(Cc1cc(C2CC2)no1)CC(C)(C)CO ZINC000660669732 488156149 /nfs/dbraw/zinc/15/61/49/488156149.db2.gz AXIQMXWVHZLUHK-UHFFFAOYSA-N 0 1 238.331 2.002 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000379913733 488156492 /nfs/dbraw/zinc/15/64/92/488156492.db2.gz OLJOFJPCKAZNJV-NXEZZACHSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000390447941 488157491 /nfs/dbraw/zinc/15/74/91/488157491.db2.gz UGOQTFGKHTYYAM-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000230797862 488158058 /nfs/dbraw/zinc/15/80/58/488158058.db2.gz HPPWXBPOFQBKGX-SMDDNHRTSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@@H](CC(=O)N1CC(N(C)C)C1)CC(C)(C)C ZINC000677944158 488158246 /nfs/dbraw/zinc/15/82/46/488158246.db2.gz VHCBMKGKUJQTHX-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1C ZINC000380104443 488173707 /nfs/dbraw/zinc/17/37/07/488173707.db2.gz QKPBPPWXQCIZLV-JTQLQIEISA-N 0 1 227.329 2.352 20 0 BEADMN C[C@H]([C@H](C)O)N1CC(C)(CC(F)(F)F)C1 ZINC000453039824 488181122 /nfs/dbraw/zinc/18/11/22/488181122.db2.gz PIYAIPZVEGECGO-SFYZADRCSA-N 0 1 225.254 2.030 20 0 BEADMN C[C@H](NC[C@H]1CCCC1(F)F)c1ncc[nH]1 ZINC000453313837 488188566 /nfs/dbraw/zinc/18/85/66/488188566.db2.gz DKDPWESICLTHIN-DTWKUNHWSA-N 0 1 229.274 2.496 20 0 BEADMN Cc1noc([C@@H](C)N[C@H]2CCCC23CC3)n1 ZINC000668050625 488195092 /nfs/dbraw/zinc/19/50/92/488195092.db2.gz WODAYJNLPJPLEP-SCZZXKLOSA-N 0 1 221.304 2.361 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccsc1Cl ZINC000308354608 488201488 /nfs/dbraw/zinc/20/14/88/488201488.db2.gz KFZOUJJSAITIOK-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CC1=CCCN(Cc2c(C3CC3)cnn2C)C1 ZINC000668100106 488202805 /nfs/dbraw/zinc/20/28/05/488202805.db2.gz BYORHTVWGYWMLC-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN C[C@@H](CC1CCCCC1)NC(=O)[C@H](C)N(C)C ZINC000683666768 488206165 /nfs/dbraw/zinc/20/61/65/488206165.db2.gz HEIQLCIYHSNGBT-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN COc1cc(CN(C)Cc2cn[nH]c2)ccc1C ZINC000683700011 488209991 /nfs/dbraw/zinc/20/99/91/488209991.db2.gz XZGJIGWWGSOVNA-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CC1CC1 ZINC000085828079 488210649 /nfs/dbraw/zinc/21/06/49/488210649.db2.gz CMCUDVJZYYHJKW-QMMMGPOBSA-N 0 1 223.272 2.381 20 0 BEADMN c1ccc2c(c1)CN(CC1=CCCOC1)CCO2 ZINC000678196424 488216778 /nfs/dbraw/zinc/21/67/78/488216778.db2.gz QZCYHYXQADOXFY-UHFFFAOYSA-N 0 1 245.322 2.228 20 0 BEADMN CC(C)(C)OC1CCN(Cc2cn[nH]c2)CC1 ZINC000678211223 488216815 /nfs/dbraw/zinc/21/68/15/488216815.db2.gz PJGMFTWBHWATIA-UHFFFAOYSA-N 0 1 237.347 2.189 20 0 BEADMN CC[C@H]1CCN1Cc1ccnn1CC1CC1 ZINC000668189545 488218538 /nfs/dbraw/zinc/21/85/38/488218538.db2.gz HNAUJBWPMOWFJL-LBPRGKRZSA-N 0 1 219.332 2.277 20 0 BEADMN CCOCC[N@H+](CC)Cc1n[nH]c2ccccc21 ZINC000678215689 488218540 /nfs/dbraw/zinc/21/85/40/488218540.db2.gz DVIYUQIVSUDDQC-UHFFFAOYSA-N 0 1 247.342 2.421 20 0 BEADMN CCOCC[N@@H+](CC)Cc1n[nH]c2ccccc21 ZINC000678215689 488218545 /nfs/dbraw/zinc/21/85/45/488218545.db2.gz DVIYUQIVSUDDQC-UHFFFAOYSA-N 0 1 247.342 2.421 20 0 BEADMN CC[C@H]1C[C@@H](NCc2ncc(C)o2)CCO1 ZINC000231640971 488218665 /nfs/dbraw/zinc/21/86/65/488218665.db2.gz CPZARDGEHAPYAF-QWRGUYRKSA-N 0 1 224.304 2.030 20 0 BEADMN COCc1csc(CN2CC[C@@H]2COC)c1 ZINC000668192631 488219707 /nfs/dbraw/zinc/21/97/07/488219707.db2.gz IULOGAUBBHTFMG-LLVKDONJSA-N 0 1 241.356 2.115 20 0 BEADMN OC[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000678225973 488220131 /nfs/dbraw/zinc/22/01/31/488220131.db2.gz WPRQRAMVOGHTTJ-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN Cc1cnc(CNCCc2scnc2C)o1 ZINC000231652453 488220299 /nfs/dbraw/zinc/22/02/99/488220299.db2.gz KIXOTYKYXOXTSK-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN c1[nH]nc2c1CN([C@H]1CCc3ccccc31)CC2 ZINC000683784205 488221015 /nfs/dbraw/zinc/22/10/15/488221015.db2.gz OPGZDZZKKCLFDI-HNNXBMFYSA-N 0 1 239.322 2.455 20 0 BEADMN CO[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@@H]1OC ZINC000683787641 488222535 /nfs/dbraw/zinc/22/25/35/488222535.db2.gz QBOWPZKXIJBJKZ-SOUVJXGZSA-N 0 1 247.338 2.020 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1ccccc1C1CC1 ZINC000678271272 488232832 /nfs/dbraw/zinc/23/28/32/488232832.db2.gz MOHXTMSGHXNRIJ-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN CN(Cc1cscc1Cl)Cc1nnc[nH]1 ZINC000678271418 488232932 /nfs/dbraw/zinc/23/29/32/488232932.db2.gz QAKGKCZOHJNFHN-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CN(Cc1ccon1)Cc1[nH]nc2ccccc21 ZINC000678274072 488234611 /nfs/dbraw/zinc/23/46/11/488234611.db2.gz CQKMYNHALAYTAE-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN c1cc(CN2C3CCCC2CCC3)n[nH]1 ZINC000678278812 488236419 /nfs/dbraw/zinc/23/64/19/488236419.db2.gz HJOURPZWDZQIGG-UHFFFAOYSA-N 0 1 205.305 2.317 20 0 BEADMN Cc1cccc(NC(=O)C(C)(C)c2cnc[nH]2)n1 ZINC000683917928 488244405 /nfs/dbraw/zinc/24/44/05/488244405.db2.gz QOYHYEBGKUOBFP-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN Cc1nn(C)cc1CN[C@@H](C)c1cnccc1C ZINC000678361772 488246629 /nfs/dbraw/zinc/24/66/29/488246629.db2.gz JXIHLSRVGOEAAN-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCN(C[C@@H]1CCOC1)[C@@H](C)c1ncc(C)o1 ZINC000678460396 488256999 /nfs/dbraw/zinc/25/69/99/488256999.db2.gz IOCYAYSSMULBEA-RYUDHWBXSA-N 0 1 238.331 2.402 20 0 BEADMN CCCn1nccc1CN(C)CCCCOC ZINC000668242507 490046839 /nfs/dbraw/zinc/04/68/39/490046839.db2.gz CAHUNGAVOVKUGZ-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN COCC1(N(C)Cc2ncccc2C)CC1 ZINC000678532055 488264301 /nfs/dbraw/zinc/26/43/01/488264301.db2.gz YPAHMOKZCCIXMX-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CN(CC1(F)CC1)[C@@H]1CCCc2c1cnn2C ZINC000684363917 488301047 /nfs/dbraw/zinc/30/10/47/488301047.db2.gz YRRMLAIXZIFTMF-LLVKDONJSA-N 0 1 237.322 2.231 20 0 BEADMN CO[C@@H]1CCC[C@@H](Nc2ccc3nn[nH]c3c2)C1 ZINC000684386518 488303593 /nfs/dbraw/zinc/30/35/93/488303593.db2.gz ULFMYGQBXUQBGD-MWLCHTKSSA-N 0 1 246.314 2.327 20 0 BEADMN CO[C@@H]1CCC[C@@H](Nc2ccc3n[nH]nc3c2)C1 ZINC000684386518 488303595 /nfs/dbraw/zinc/30/35/95/488303595.db2.gz ULFMYGQBXUQBGD-MWLCHTKSSA-N 0 1 246.314 2.327 20 0 BEADMN CCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673731302 488306082 /nfs/dbraw/zinc/30/60/82/488306082.db2.gz UPJDREJOEIYERF-UHFFFAOYSA-N 0 1 249.236 2.267 20 0 BEADMN c1nc2ccccn2c1CN1CC=CCC1 ZINC000679323663 488336994 /nfs/dbraw/zinc/33/69/94/488336994.db2.gz SDYLUNNXVHWWED-UHFFFAOYSA-N 0 1 213.284 2.096 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cn[nH]c1 ZINC000684412732 488308879 /nfs/dbraw/zinc/30/88/79/488308879.db2.gz ZVNHKSHWJDWIDM-IONNQARKSA-N 0 1 233.237 2.182 20 0 BEADMN C[C@H]1CN(Cc2ccc(O)cc2)C[C@@H](C2CC2)O1 ZINC000684412234 488308923 /nfs/dbraw/zinc/30/89/23/488308923.db2.gz TWRRJALEWIPXSS-NHYWBVRUSA-N 0 1 247.338 2.392 20 0 BEADMN CCCc1cc(C(=O)N2CCC=C(F)C2)n[nH]1 ZINC000679167895 488314026 /nfs/dbraw/zinc/31/40/26/488314026.db2.gz MNNWTCUUFPAFOO-UHFFFAOYSA-N 0 1 237.278 2.062 20 0 BEADMN C[C@H]1CCN(CCCc2cnn(C)c2)C[C@@H]1F ZINC000679224170 488321361 /nfs/dbraw/zinc/32/13/61/488321361.db2.gz NVAYMKJYQDGVIH-AAEUAGOBSA-N 0 1 239.338 2.033 20 0 BEADMN C[C@@H]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C)C1 ZINC000684516441 488324600 /nfs/dbraw/zinc/32/46/00/488324600.db2.gz ZYGXCFVMOQHCAB-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CCO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684573902 488328387 /nfs/dbraw/zinc/32/83/87/488328387.db2.gz HXJDEBRHTDWZMW-SECBINFHSA-N 0 1 232.283 2.123 20 0 BEADMN COc1ccc(C)cc1CN(C)Cc1cnc[nH]1 ZINC000684616832 488332570 /nfs/dbraw/zinc/33/25/70/488332570.db2.gz KZIXUDUHMDVYQB-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN C[C@H]1c2ccccc2OCCN1Cc1cnc[nH]1 ZINC000684619188 488333240 /nfs/dbraw/zinc/33/32/40/488333240.db2.gz GXJHLHWONILZGE-NSHDSACASA-N 0 1 243.310 2.365 20 0 BEADMN CN(Cc1c[nH]cn1)[C@H]1C[C@@H]1c1ccccc1 ZINC000684619254 488333780 /nfs/dbraw/zinc/33/37/80/488333780.db2.gz LMOJZHWAHMVZPH-KGLIPLIRSA-N 0 1 227.311 2.398 20 0 BEADMN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(F)cn1 ZINC000679339944 488341767 /nfs/dbraw/zinc/34/17/67/488341767.db2.gz GPFJCIKNDIMUSD-GFCCVEGCSA-N 0 1 248.305 2.493 20 0 BEADMN COc1cccc(-c2n[nH]cc2CNCCF)c1 ZINC000684799574 488343087 /nfs/dbraw/zinc/34/30/87/488343087.db2.gz NWLZTONFEPPNGH-UHFFFAOYSA-N 0 1 249.289 2.144 20 0 BEADMN c1cn2c(cccc2CN2CC=CCC2)n1 ZINC000679357466 488344558 /nfs/dbraw/zinc/34/45/58/488344558.db2.gz RZZZLNUVKOIOPY-UHFFFAOYSA-N 0 1 213.284 2.096 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@H](C)[C@H](F)C2)n1 ZINC000679359881 488345819 /nfs/dbraw/zinc/34/58/19/488345819.db2.gz ROTXTOOWUGRRNX-GXSJLCMTSA-N 0 1 238.306 2.276 20 0 BEADMN CCc1nn(C)cc1N[C@H](C)c1cn[nH]c1C ZINC000679363726 488347127 /nfs/dbraw/zinc/34/71/27/488347127.db2.gz XRPPOOOCHHTWDX-MRVPVSSYSA-N 0 1 233.319 2.187 20 0 BEADMN CC[C@H]1CN(Cc2ccc(O)cc2)C[C@@H](C)O1 ZINC000679395976 488350851 /nfs/dbraw/zinc/35/08/51/488350851.db2.gz KVZHOPNYZMMELI-RISCZKNCSA-N 0 1 235.327 2.392 20 0 BEADMN C[C@@H]1SCC[C@@H]1NCc1nccs1 ZINC000220609192 490054419 /nfs/dbraw/zinc/05/44/19/490054419.db2.gz FEQZBMUVXUWHBZ-YUMQZZPRSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CC1)c1ccccc1 ZINC000086751843 490090054 /nfs/dbraw/zinc/09/00/54/490090054.db2.gz QYWLOFSMFIWPHS-LLVKDONJSA-N 0 1 233.311 2.339 20 0 BEADMN COCCCOc1ccnc2c1CCCC2 ZINC000655702231 490089959 /nfs/dbraw/zinc/08/99/59/490089959.db2.gz PWCPYLUQKWEXJO-UHFFFAOYSA-N 0 1 221.300 2.376 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000122152204 490126752 /nfs/dbraw/zinc/12/67/52/490126752.db2.gz RQCWEOFODSQPIG-APPZFPTMSA-N 0 1 228.361 2.273 20 0 BEADMN CN(Cc1ccccc1F)C[C@H](O)C1CC1 ZINC000068908881 490135661 /nfs/dbraw/zinc/13/56/61/490135661.db2.gz SXVMKKWZBGUNAU-ZDUSSCGKSA-N 0 1 223.291 2.028 20 0 BEADMN CCCN(Cc1cc(C(C)=O)no1)CC1CC1 ZINC000555879563 490197334 /nfs/dbraw/zinc/19/73/34/490197334.db2.gz CBVPGRPKGYFIJJ-UHFFFAOYSA-N 0 1 236.315 2.499 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@H](C)N(C)C)cc1 ZINC000078665711 490213813 /nfs/dbraw/zinc/21/38/13/490213813.db2.gz SKBLLXAZLOANNZ-RYUDHWBXSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@H](CCNC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078704624 490217686 /nfs/dbraw/zinc/21/76/86/490217686.db2.gz DHIXTHKBIJLSBT-OLZOCXBDSA-N 0 1 248.370 2.247 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000078713164 490220115 /nfs/dbraw/zinc/22/01/15/490220115.db2.gz RBJSQTSSCKVHFN-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)[C@@H]1CCCC[C@@H]1C ZINC000078710509 490220338 /nfs/dbraw/zinc/22/03/38/490220338.db2.gz JZRKZTXCYUQTAY-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)N(C)C ZINC000078733963 490222606 /nfs/dbraw/zinc/22/26/06/490222606.db2.gz OLORWUPUTVCYJH-FZMZJTMJSA-N 0 1 246.354 2.049 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000078743464 490224160 /nfs/dbraw/zinc/22/41/60/490224160.db2.gz HDHTVPNEJARIDZ-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](C(=O)N1C[C@H](C)[C@@H]1c1ccccc1)N(C)C ZINC000078755284 490228558 /nfs/dbraw/zinc/22/85/58/490228558.db2.gz VXECUHNNQDMIGJ-SGMGOOAPSA-N 0 1 246.354 2.156 20 0 BEADMN Cc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)nc1 ZINC000156658548 490269936 /nfs/dbraw/zinc/26/99/36/490269936.db2.gz WQGNCNWXWRWBIE-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1CCC1 ZINC000130880278 490457213 /nfs/dbraw/zinc/45/72/13/490457213.db2.gz GKGHOKJWTXXOTN-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cnn(CCN[C@H](C)c2c(C)noc2C)c1 ZINC000305568072 490464603 /nfs/dbraw/zinc/46/46/03/490464603.db2.gz UUKABBAXLJVFHX-SNVBAGLBSA-N 0 1 248.330 2.147 20 0 BEADMN O=C(CCc1cnc[nH]1)Nc1cccc(F)c1 ZINC000074727260 490502262 /nfs/dbraw/zinc/50/22/62/490502262.db2.gz VRPNCSIDISAMSL-UHFFFAOYSA-N 0 1 233.246 2.120 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000305817607 490621538 /nfs/dbraw/zinc/62/15/38/490621538.db2.gz KGQBZXHIBOYTCB-KOLCDFICSA-N 0 1 239.363 2.166 20 0 BEADMN Cc1[nH]ncc1CNc1ncc(Cl)s1 ZINC000306493917 490639852 /nfs/dbraw/zinc/63/98/52/490639852.db2.gz OPXXSUCGOMSCBO-UHFFFAOYSA-N 0 1 228.708 2.440 20 0 BEADMN C[C@H]1CN(c2ncnc3[nH]cnc32)CC(C)(C)C1 ZINC000680066395 491121811 /nfs/dbraw/zinc/12/18/11/491121811.db2.gz LZEQFAGUBKFWRV-SECBINFHSA-N 0 1 245.330 2.225 20 0 BEADMN CC1(C)CCCC[C@@H]1NCc1nccc(N)n1 ZINC000120004871 491129453 /nfs/dbraw/zinc/12/94/53/491129453.db2.gz KHSCNZFJYCRNKY-JTQLQIEISA-N 0 1 234.347 2.117 20 0 BEADMN Cc1nnc(CNCC2(C)CCC2)s1 ZINC000308738716 491137957 /nfs/dbraw/zinc/13/79/57/491137957.db2.gz NDCUZPJGQICNKF-UHFFFAOYSA-N 0 1 211.334 2.126 20 0 BEADMN Cc1cccc2[nH]c(CNC3CSC3)nc21 ZINC000309615402 491152525 /nfs/dbraw/zinc/15/25/25/491152525.db2.gz BOGBJWGGCLRVOJ-UHFFFAOYSA-N 0 1 233.340 2.076 20 0 BEADMN Cc1cccc2nc(CNC3CSC3)[nH]c21 ZINC000309615402 491152527 /nfs/dbraw/zinc/15/25/27/491152527.db2.gz BOGBJWGGCLRVOJ-UHFFFAOYSA-N 0 1 233.340 2.076 20 0 BEADMN COC(=O)[C@H]1CCC[C@H](NCC(C)(F)F)CC1 ZINC001172767369 974936279 /nfs/dbraw/zinc/93/62/79/974936279.db2.gz ZMBTXCWLFNZWJR-UWVGGRQHSA-N 0 1 249.301 2.353 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000488324486 533722671 /nfs/dbraw/zinc/72/26/71/533722671.db2.gz ATYDWWNCDYFBGF-KYOSRNDESA-N 0 1 247.338 2.422 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N(C)Cc1nnc[nH]1 ZINC000174808801 534058667 /nfs/dbraw/zinc/05/86/67/534058667.db2.gz WBFIBUKKXAGKBV-VIFPVBQESA-N 0 1 234.278 2.137 20 0 BEADMN CCc1nnc(CN2CC[C@H](C)[C@H]2CC)o1 ZINC000249395475 535846530 /nfs/dbraw/zinc/84/65/30/535846530.db2.gz AXIOURAQQMIXHD-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1CC[C@H](C)C1 ZINC000891797466 582722761 /nfs/dbraw/zinc/72/27/61/582722761.db2.gz KGRNZVZSIDMZFU-QMMMGPOBSA-N 0 1 227.739 2.467 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000334397494 536111706 /nfs/dbraw/zinc/11/17/06/536111706.db2.gz CKQGFZOJFJZSIT-SNVBAGLBSA-N 0 1 249.358 2.480 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000414244360 518192819 /nfs/dbraw/zinc/19/28/19/518192819.db2.gz QABVKDXWQDZBKK-BCTVWOGZSA-N 0 1 243.376 2.357 20 0 BEADMN c1nc(CNCCC[C@@H]2CCOC2)cs1 ZINC000401946871 534529837 /nfs/dbraw/zinc/52/98/37/534529837.db2.gz WUEPXLXVYQLYTL-SNVBAGLBSA-N 0 1 226.345 2.049 20 0 BEADMN CC(C)(C)C(C)(C)NC(=O)c1[nH]nc2c1CCC2 ZINC000335315392 534537346 /nfs/dbraw/zinc/53/73/46/534537346.db2.gz RWPINBHJEPYYNX-UHFFFAOYSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000493287342 534537755 /nfs/dbraw/zinc/53/77/55/534537755.db2.gz MCQBAIUNCPVUKM-UFGYOYAJSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@H](C)NC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000493287340 534592722 /nfs/dbraw/zinc/59/27/22/534592722.db2.gz MCQBAIUNCPVUKM-FLOXNTQESA-N 0 1 248.330 2.037 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1 ZINC000336198264 534844166 /nfs/dbraw/zinc/84/41/66/534844166.db2.gz CLVBGHCTIHLORW-IAQYHMDHSA-N 0 1 247.338 2.092 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C\C1CCCC1 ZINC000493051955 534855043 /nfs/dbraw/zinc/85/50/43/534855043.db2.gz PISFTLIQWZDICY-SREVYHEPSA-N 0 1 233.315 2.081 20 0 BEADMN CC(C)=CCN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496260377 527429987 /nfs/dbraw/zinc/42/99/87/527429987.db2.gz CMYXZGHOZAXXAM-LBPRGKRZSA-N 0 1 240.347 2.115 20 0 BEADMN CC(C)C(CNC(=O)[C@H]1CCCN1C)C(C)C ZINC000469833769 527584338 /nfs/dbraw/zinc/58/43/38/527584338.db2.gz HLMNCFOUBCHUQS-CYBMUJFWSA-N 0 1 240.391 2.125 20 0 BEADMN CCCN(CC(=O)OCC)C[C@@H]1CCSC1 ZINC000495165549 527910601 /nfs/dbraw/zinc/91/06/01/527910601.db2.gz RRGOAXNNECWEHP-NSHDSACASA-N 0 1 245.388 2.015 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC2CCC2)C[C@H]1C ZINC000496345701 527926817 /nfs/dbraw/zinc/92/68/17/527926817.db2.gz NCARIWHSSHAAJU-GHMZBOCLSA-N 0 1 240.347 2.090 20 0 BEADMN CCCCN(CC)CN1CC(C)(C)OC1=O ZINC000494155127 528393015 /nfs/dbraw/zinc/39/30/15/528393015.db2.gz QMOPQPNZLXVTPZ-UHFFFAOYSA-N 0 1 228.336 2.297 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)/C=C\C(C)(C)C ZINC000493362854 528405083 /nfs/dbraw/zinc/40/50/83/528405083.db2.gz BSFYBOVCCDIIMB-KRZKBDHCSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)[C@@H](C)N(C)CN1CC(C)(C)OC1=O ZINC000494003377 528406853 /nfs/dbraw/zinc/40/68/53/528406853.db2.gz ZFSWZCVJERIRGD-SNVBAGLBSA-N 0 1 228.336 2.151 20 0 BEADMN CCN(CCO)Cc1ccc(OC)cc1Cl ZINC000505872103 528553784 /nfs/dbraw/zinc/55/37/84/528553784.db2.gz KHBRZYSYPJPWPX-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1ccncn1 ZINC000308760263 528592475 /nfs/dbraw/zinc/59/24/75/528592475.db2.gz XTDAJTLEIFZMCJ-LLVKDONJSA-N 0 1 237.347 2.332 20 0 BEADMN CCC1(CC)CN(CN2CC[C@@H](C)C2)C(=O)O1 ZINC000494554278 529081791 /nfs/dbraw/zinc/08/17/91/529081791.db2.gz JVADAWOSIYEKDT-LLVKDONJSA-N 0 1 240.347 2.297 20 0 BEADMN CCc1cccc(N(C)Cc2n[nH]c(C)n2)c1 ZINC000459591350 529175869 /nfs/dbraw/zinc/17/58/69/529175869.db2.gz LHTJZNVRECKXTF-UHFFFAOYSA-N 0 1 230.315 2.312 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000495112682 529241524 /nfs/dbraw/zinc/24/15/24/529241524.db2.gz SFMWAUCLGBRYPY-GMXVVIOVSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC000479443882 529254299 /nfs/dbraw/zinc/25/42/99/529254299.db2.gz RNGFRJDNWCIOCD-HAQNSBGRSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174452820 529302897 /nfs/dbraw/zinc/30/28/97/529302897.db2.gz JLGQAMJXYIYVQT-MRVPVSSYSA-N 0 1 249.289 2.364 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)OC2CCC2)CC1 ZINC000496085307 529353950 /nfs/dbraw/zinc/35/39/50/529353950.db2.gz KGXMYIWMPYKAFF-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN CCCC[C@@H](Nc1cccc(C)[nH+]1)C(=O)[O-] ZINC000261829234 534939692 /nfs/dbraw/zinc/93/96/92/534939692.db2.gz SWWKZAYVSNNONC-SNVBAGLBSA-N 0 1 222.288 2.445 20 0 BEADMN CC1=C(C)CN(CC(=O)NC2CCCC2)CC1 ZINC000335734645 535235015 /nfs/dbraw/zinc/23/50/15/535235015.db2.gz KGGLDKYFDFXQAW-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CC(C)(NC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000227524756 535238029 /nfs/dbraw/zinc/23/80/29/535238029.db2.gz GDPFEQCZAKKLEU-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN CC(C)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000132496779 535306448 /nfs/dbraw/zinc/30/64/48/535306448.db2.gz GRJZTHOJFZGTGP-GFCCVEGCSA-N 0 1 227.348 2.449 20 0 BEADMN CC1(C)CC[C@H](CN2CCOCC23CCC3)O1 ZINC000184663685 535325816 /nfs/dbraw/zinc/32/58/16/535325816.db2.gz VUAPDUIGSYTESV-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN CCC[C@H](C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176716445 535599480 /nfs/dbraw/zinc/59/94/80/535599480.db2.gz CHHGGMFOFGAWQH-QMMMGPOBSA-N 0 1 232.287 2.333 20 0 BEADMN CCN(C(=O)c1ccc2cncn2c1)C1CCC1 ZINC000334297363 535698705 /nfs/dbraw/zinc/69/87/05/535698705.db2.gz AJRRNSOBQQXZHP-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN CC[C@](C)(CO)NCc1ncc(Cl)s1 ZINC000225337222 535833199 /nfs/dbraw/zinc/83/31/99/535833199.db2.gz JASUIQYNOYNTQL-SECBINFHSA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@H](C)[C@H](Nc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000262165088 535984905 /nfs/dbraw/zinc/98/49/05/535984905.db2.gz UFSYQZQPVBLOQT-KWQFWETISA-N 0 1 247.298 2.474 20 0 BEADMN CC[C@@]1(C)CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000174195858 536037569 /nfs/dbraw/zinc/03/75/69/536037569.db2.gz LUUOLHLMHGFWDN-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000261595692 536048550 /nfs/dbraw/zinc/04/85/50/536048550.db2.gz YGNFIYWWXWNNHW-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN CN(C(=O)[C@@](C)(N)c1ccccc1)[C@H]1CC1(C)C ZINC000335563304 536061578 /nfs/dbraw/zinc/06/15/78/536061578.db2.gz NURQVWBFUIIVTL-WFASDCNBSA-N 0 1 246.354 2.117 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)n[nH]1 ZINC000334397493 536113546 /nfs/dbraw/zinc/11/35/46/536113546.db2.gz CKQGFZOJFJZSIT-JTQLQIEISA-N 0 1 249.358 2.480 20 0 BEADMN CCc1nc(C)cc(N2CCc3cnccc32)n1 ZINC000342783225 536125216 /nfs/dbraw/zinc/12/52/16/536125216.db2.gz IFOUPPSIOBEUSX-UHFFFAOYSA-N 0 1 240.310 2.437 20 0 BEADMN COC1(CNCc2ncc(Cl)s2)CCC1 ZINC000225380684 536681830 /nfs/dbraw/zinc/68/18/30/536681830.db2.gz DQXPSLDRNUGDLR-UHFFFAOYSA-N 0 1 246.763 2.455 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)n[nH]1 ZINC000154277611 537933047 /nfs/dbraw/zinc/93/30/47/537933047.db2.gz FBVAZSUHMRCJOY-GHMZBOCLSA-N 0 1 247.342 2.234 20 0 BEADMN Cc1ccoc1CN1CCCc2n[nH]cc2C1 ZINC000668840697 566330740 /nfs/dbraw/zinc/33/07/40/566330740.db2.gz ICZIWDVZEYOAMK-UHFFFAOYSA-N 0 1 231.299 2.260 20 0 BEADMN COCC[C@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000339582701 566373446 /nfs/dbraw/zinc/37/34/46/566373446.db2.gz CSLHIYAUBLLFEH-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN COCC[C@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000339582704 566373494 /nfs/dbraw/zinc/37/34/94/566373494.db2.gz CSLHIYAUBLLFEH-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)CC(F)(F)F)c1C ZINC000362057749 566417960 /nfs/dbraw/zinc/41/79/60/566417960.db2.gz ORXTXFFIEIMNRN-RXMQYKEDSA-N 0 1 249.236 2.097 20 0 BEADMN CCCCOCCNCc1ccc(OC)o1 ZINC000892733754 582971682 /nfs/dbraw/zinc/97/16/82/582971682.db2.gz SELPRIBWXLWSKV-UHFFFAOYSA-N 0 1 227.304 2.195 20 0 BEADMN Cc1n[nH]c(CN2CC=C(C)CC2)c1C ZINC000894033510 583277561 /nfs/dbraw/zinc/27/75/61/583277561.db2.gz GXTZBWJASDDMJC-UHFFFAOYSA-N 0 1 205.305 2.179 20 0 BEADMN CC[C@H]1CN(Cc2ocnc2C)CCS1 ZINC000894033177 583277054 /nfs/dbraw/zinc/27/70/54/583277054.db2.gz BKMUGFNWXIXVAU-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]nc(C)c2C)CCS1 ZINC000894035285 583279710 /nfs/dbraw/zinc/27/97/10/583279710.db2.gz XTMHEBQLCYTHCS-LLVKDONJSA-N 0 1 239.388 2.354 20 0 BEADMN CCCn1nccc1CNc1nccn1C1CC1 ZINC000853029377 588716898 /nfs/dbraw/zinc/71/68/98/588716898.db2.gz SKNMFYUJHQXTFJ-UHFFFAOYSA-N 0 1 245.330 2.437 20 0 BEADMN Cc1oc(C)c(C(=O)O[C@H](C)c2nnc[nH]2)c1C ZINC000853216871 588725316 /nfs/dbraw/zinc/72/53/16/588725316.db2.gz QAWVUTZTBBNLKK-SECBINFHSA-N 0 1 249.270 2.241 20 0 BEADMN Cc1ccsc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853214615 588725574 /nfs/dbraw/zinc/72/55/74/588725574.db2.gz OCLPHTIKOKYBPU-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN CCc1oc(C(=O)O[C@H](C)c2nnc[nH]2)cc1C ZINC000853221163 588726281 /nfs/dbraw/zinc/72/62/81/588726281.db2.gz QYWRYTYBSBUKTK-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCC(C)(C)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853221592 588726316 /nfs/dbraw/zinc/72/63/16/588726316.db2.gz WLNKUUUZBBPTJI-MRVPVSSYSA-N 0 1 225.292 2.235 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222645 588726592 /nfs/dbraw/zinc/72/65/92/588726592.db2.gz PVQSPKWZUXPLLR-YIZRAAEISA-N 0 1 225.292 2.091 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224353 588726887 /nfs/dbraw/zinc/72/68/87/588726887.db2.gz FQZCUHXPBGGLAE-SBMIAAHKSA-N 0 1 237.303 2.091 20 0 BEADMN C[C@H](OC(=O)[C@@]1(C)CC=CCC1)c1nnc[nH]1 ZINC000853224291 588726942 /nfs/dbraw/zinc/72/69/42/588726942.db2.gz FBWJYESCJVWLSD-CABZTGNLSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)CCCC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224984 588727021 /nfs/dbraw/zinc/72/70/21/588727021.db2.gz JJGJXLOAKQJJEL-VIFPVBQESA-N 0 1 225.292 2.235 20 0 BEADMN CCCC[C@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224770 588727070 /nfs/dbraw/zinc/72/70/70/588727070.db2.gz YSCKZRNTVIFDTL-DTWKUNHWSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCCC[C@@H]1C)c1nnc[nH]1 ZINC000853225947 588727135 /nfs/dbraw/zinc/72/71/35/588727135.db2.gz TUJZIKRCYMCHSS-GUBZILKMSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](OC(=O)C[C@H]1C=CCCC1)c1nnc[nH]1 ZINC000853226157 588727207 /nfs/dbraw/zinc/72/72/07/588727207.db2.gz UONBEOHHDZRWTN-ZJUUUORDSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@@H](OC(=O)C[C@@H]1C=CCCC1)c1nnc[nH]1 ZINC000853226154 588727304 /nfs/dbraw/zinc/72/73/04/588727304.db2.gz UONBEOHHDZRWTN-NXEZZACHSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@H](OC(=O)C[C@H]1C=CCCC1)c1nnc[nH]1 ZINC000853226155 588727330 /nfs/dbraw/zinc/72/73/30/588727330.db2.gz UONBEOHHDZRWTN-UWVGGRQHSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)C(C)(C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225087 588727348 /nfs/dbraw/zinc/72/73/48/588727348.db2.gz KSJREJHNMVALOH-MRVPVSSYSA-N 0 1 225.292 2.091 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225296 588727375 /nfs/dbraw/zinc/72/73/75/588727375.db2.gz NBQFWVVXEHMFKX-JGAIRUGNSA-N 0 1 237.303 2.401 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCCC2(CC2)C1)c1nnc[nH]1 ZINC000853227087 588727520 /nfs/dbraw/zinc/72/75/20/588727520.db2.gz LGYCKGVRBMNEDL-UWVGGRQHSA-N 0 1 249.314 2.379 20 0 BEADMN C[C@@H](OC(=O)C(C)(C)C(C)(C)C)c1nnc[nH]1 ZINC000853226543 588727581 /nfs/dbraw/zinc/72/75/81/588727581.db2.gz YOLSBDWMAUOTEK-MRVPVSSYSA-N 0 1 239.319 2.481 20 0 BEADMN CCCN(CN1CC[C@H](C(C)C)C1=O)C1CC1 ZINC000853494619 588745960 /nfs/dbraw/zinc/74/59/60/588745960.db2.gz JVEZAKSCCVWKLK-CYBMUJFWSA-N 0 1 238.375 2.323 20 0 BEADMN O=C1[C@@H]2CCCCC[C@@H]2N1CN1CC[C@@H]2C[C@@H]2C1 ZINC000853578276 588749532 /nfs/dbraw/zinc/74/95/32/588749532.db2.gz WNFHRURHCVHWTR-SYQHCUMBSA-N 0 1 248.370 2.077 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1CC(C)(C)OC1=O ZINC000853628019 588750712 /nfs/dbraw/zinc/75/07/12/588750712.db2.gz LNFSEKGGXYOUCH-SNVBAGLBSA-N 0 1 240.347 2.153 20 0 BEADMN C[C@H]1C(=O)N(CN(C)C[C@@H]2CC2(C)C)C[C@H]1C ZINC000853628708 588751206 /nfs/dbraw/zinc/75/12/06/588751206.db2.gz WPHGSRVHVGDTEE-UTUOFQBUSA-N 0 1 238.375 2.036 20 0 BEADMN CCc1cc(CCCON=C(N)C(C)C)on1 ZINC000853685445 588755860 /nfs/dbraw/zinc/75/58/60/588755860.db2.gz WFZOWFMUVKUDMT-UHFFFAOYSA-N 0 1 239.319 2.324 20 0 BEADMN Nc1nc2c(c(N[C@H]3C=CCC3)n1)CCCC2 ZINC000853798643 588763897 /nfs/dbraw/zinc/76/38/97/588763897.db2.gz RCGYFEYGKFSOOL-VIFPVBQESA-N 0 1 230.315 2.068 20 0 BEADMN Cc1ccoc1Cc1nc([C@@H](N)C(C)C)no1 ZINC000854133111 588776038 /nfs/dbraw/zinc/77/60/38/588776038.db2.gz SPNBVZPLFWSPSC-NSHDSACASA-N 0 1 235.287 2.218 20 0 BEADMN Cc1ccncc1Cc1nc([C@@H](N)C(C)C)no1 ZINC000854132911 588776174 /nfs/dbraw/zinc/77/61/74/588776174.db2.gz MSDGKMYTFSIXGP-LBPRGKRZSA-N 0 1 246.314 2.020 20 0 BEADMN CCc1ccnc(-c2noc([C@H](CC)NC)n2)c1 ZINC000854154591 588777074 /nfs/dbraw/zinc/77/70/74/588777074.db2.gz BCJPXNCJJUQXCB-JTQLQIEISA-N 0 1 246.314 2.365 20 0 BEADMN CCc1ccnc(-c2noc([C@@H](CC)NC)n2)c1 ZINC000854154592 588777136 /nfs/dbraw/zinc/77/71/36/588777136.db2.gz BCJPXNCJJUQXCB-SNVBAGLBSA-N 0 1 246.314 2.365 20 0 BEADMN CCC(F)(F)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000854485177 588789187 /nfs/dbraw/zinc/78/91/87/588789187.db2.gz ROGLKDAPITVILA-ZCFIWIBFSA-N 0 1 245.191 2.489 20 0 BEADMN O=C(NOCC1CC1)[C@@H]1CCc2cc(F)ccc21 ZINC000854640114 588799024 /nfs/dbraw/zinc/79/90/24/588799024.db2.gz LKGQCWFNDJTXKA-CYBMUJFWSA-N 0 1 249.285 2.313 20 0 BEADMN CCC(=CC(=O)N(C)Cc1cnc[nH]1)CC ZINC000855134166 588822680 /nfs/dbraw/zinc/82/26/80/588822680.db2.gz HLRCMQKKSCJBGA-UHFFFAOYSA-N 0 1 221.304 2.115 20 0 BEADMN CC(C(=O)N(C)Cc1cnc[nH]1)=C1CCCC1 ZINC000855134485 588822910 /nfs/dbraw/zinc/82/29/10/588822910.db2.gz PNQAHOKTTLYHJX-UHFFFAOYSA-N 0 1 233.315 2.259 20 0 BEADMN CC(C)CCN(CN1C[C@@H](C)CC1=O)C1CC1 ZINC000113239732 588827715 /nfs/dbraw/zinc/82/77/15/588827715.db2.gz FMMJFDWKERYETK-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000003750176 582461712 /nfs/dbraw/zinc/46/17/12/582461712.db2.gz XKHPFVZRNHMIQI-SNVBAGLBSA-N 0 1 239.340 2.353 20 0 BEADMN CC[C@@H]1c2ccccc2CN1C(=O)[C@H](C)N(C)C ZINC000890612907 582487891 /nfs/dbraw/zinc/48/78/91/582487891.db2.gz SUEVVNOVVYESKW-SMDDNHRTSA-N 0 1 246.354 2.430 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)c1c(F)cc(O)cc1F ZINC000859562741 582489610 /nfs/dbraw/zinc/48/96/10/582489610.db2.gz PHEMKPGTIYKCTD-RQJHMYQMSA-N 0 1 242.221 2.483 20 0 BEADMN CSC[C@@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000300783779 582580536 /nfs/dbraw/zinc/58/05/36/582580536.db2.gz VJYJPGRRUXQSKE-SFYZADRCSA-N 0 1 229.349 2.192 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)[C@@H](C)CO1 ZINC000844391202 582580591 /nfs/dbraw/zinc/58/05/91/582580591.db2.gz NWIKZEOZTJCVOL-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN CSCCC[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000300788560 582581649 /nfs/dbraw/zinc/58/16/49/582581649.db2.gz CMFREQFCLCRLCC-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN O=C(N[C@H](c1ccncc1)C1CC1)C(F)(F)F ZINC000890915891 582590774 /nfs/dbraw/zinc/59/07/74/582590774.db2.gz GUUDYPNSXALYQY-VIFPVBQESA-N 0 1 244.216 2.211 20 0 BEADMN CC1(C)C(C)(C)C1(C)NC(=O)CCc1cnc[nH]1 ZINC000891162719 582617646 /nfs/dbraw/zinc/61/76/46/582617646.db2.gz MRZYWHISYPRRDL-UHFFFAOYSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846105776 582647126 /nfs/dbraw/zinc/64/71/26/582647126.db2.gz YAWHUEAOGFWSGI-LLVKDONJSA-N 0 1 241.285 2.339 20 0 BEADMN CC[C@H]1CCCCN1c1nc(C)cc(N)n1 ZINC000891393217 582677031 /nfs/dbraw/zinc/67/70/31/582677031.db2.gz DATQUEOTHSYPEL-JTQLQIEISA-N 0 1 220.320 2.136 20 0 BEADMN COc1nccc(CN(C)CC(C)C)c1F ZINC000891579452 582699303 /nfs/dbraw/zinc/69/93/03/582699303.db2.gz ZAJRKPGWKGTWEZ-UHFFFAOYSA-N 0 1 226.295 2.317 20 0 BEADMN Cc1ccc(C[N@H+](C)CC2(C(=O)[O-])CC2)s1 ZINC000564464131 582706710 /nfs/dbraw/zinc/70/67/10/582706710.db2.gz VKBMBQYCMXLFEC-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN CCN(Cc1nccn1C1CC1)C[C@@H]1CCOC1 ZINC000891659182 582706886 /nfs/dbraw/zinc/70/68/86/582706886.db2.gz FTTXVDUYWJYUMM-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN CCc1[nH]nc(Cl)c1CN(C)CC1CC1 ZINC000891736113 582715366 /nfs/dbraw/zinc/71/53/66/582715366.db2.gz GNWMEEVHNVDFJK-UHFFFAOYSA-N 0 1 227.739 2.467 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CCCO1 ZINC000891916786 582738105 /nfs/dbraw/zinc/73/81/05/582738105.db2.gz OWYCZLINUODEBJ-LBPRGKRZSA-N 0 1 247.338 2.232 20 0 BEADMN COc1nccc(CN2CCC[C@H]2C)c1F ZINC000892018383 582761747 /nfs/dbraw/zinc/76/17/47/582761747.db2.gz BCEFUVMTSJYFFV-SECBINFHSA-N 0 1 224.279 2.214 20 0 BEADMN C[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000892020406 582763561 /nfs/dbraw/zinc/76/35/61/582763561.db2.gz WOGBEQLKWLHODU-JTQLQIEISA-N 0 1 205.305 2.202 20 0 BEADMN CCN(Cc1ccnc(OC)c1F)CC1CC1 ZINC000892035986 582768221 /nfs/dbraw/zinc/76/82/21/582768221.db2.gz OPDAXVCAAMAKPW-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CC1=CCN(Cc2cnn(C)c2C2CC2)CC1 ZINC000892069394 582784796 /nfs/dbraw/zinc/78/47/96/582784796.db2.gz JNNBRINMPSJKAM-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN CC(C)CCCCN(C)Cc1nnc[nH]1 ZINC000892073338 582786337 /nfs/dbraw/zinc/78/63/37/582786337.db2.gz MFTMZWZCYUGFOT-UHFFFAOYSA-N 0 1 210.325 2.063 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892103156 582792047 /nfs/dbraw/zinc/79/20/47/582792047.db2.gz IYPQJQDELZSSGX-MNOVXSKESA-N 0 1 219.332 2.448 20 0 BEADMN c1cn(C2CC2)c(CN2CC[C@H](C3CC3)C2)n1 ZINC000892146933 582801250 /nfs/dbraw/zinc/80/12/50/582801250.db2.gz ZZDAFPPTNSOBFI-LBPRGKRZSA-N 0 1 231.343 2.450 20 0 BEADMN CC[C@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000892223883 582810296 /nfs/dbraw/zinc/81/02/96/582810296.db2.gz NENWEIFILUNCQW-NSHDSACASA-N 0 1 219.332 2.450 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CCCC2CC2)n[nH]1 ZINC000840574315 582922657 /nfs/dbraw/zinc/92/26/57/582922657.db2.gz IVLIUOPNQOFQBK-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C(C)(C)C2CC2)n[nH]1 ZINC000840574461 582924485 /nfs/dbraw/zinc/92/44/85/582924485.db2.gz VRBVNDIPGGOVRS-ZETCQYMHSA-N 0 1 237.303 2.154 20 0 BEADMN CC(C)C(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851464996 582960040 /nfs/dbraw/zinc/96/00/40/582960040.db2.gz BLYDWHYCAQPSJD-CQSZACIVSA-N 0 1 247.338 2.460 20 0 BEADMN C[C@H]1CCC[C@H](C)N(Cc2cnon2)C1 ZINC000851786551 582967019 /nfs/dbraw/zinc/96/70/19/582967019.db2.gz YEQIJUGXJAYJNV-UWVGGRQHSA-N 0 1 209.293 2.080 20 0 BEADMN Cc1cnc([C@@H](C)Nc2nc(C)cc(N)n2)s1 ZINC000892842009 582993739 /nfs/dbraw/zinc/99/37/39/582993739.db2.gz JBHIFIMKFASRAT-MRVPVSSYSA-N 0 1 249.343 2.305 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000852559565 583014281 /nfs/dbraw/zinc/01/42/81/583014281.db2.gz JUIVLSDCGFXTKH-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](OC(=O)CC1CC(C)(C)C1)c1nnc[nH]1 ZINC000853224444 583031810 /nfs/dbraw/zinc/03/18/10/583031810.db2.gz GINYABPSRCPZOB-QMMMGPOBSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)[C@H]1CCN(CN2C3CCC2CC3)C1=O ZINC000853489882 583057673 /nfs/dbraw/zinc/05/76/73/583057673.db2.gz KHSBPKMOXNVXOV-WXRRBKDZSA-N 0 1 236.359 2.075 20 0 BEADMN Cc1cc(CNCc2c[nH]nc2C)c(C)o1 ZINC000114504675 588874971 /nfs/dbraw/zinc/87/49/71/588874971.db2.gz BVPAHADRPLNEHG-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN CC[C@@H](NCc1nccn1C1CC1)[C@H]1CCCO1 ZINC000893256994 583078932 /nfs/dbraw/zinc/07/89/32/583078932.db2.gz XDHMEQOQCJFGGC-CHWSQXEVSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCCC2(F)F)CN1C1CC1 ZINC000398082550 583119521 /nfs/dbraw/zinc/11/95/21/583119521.db2.gz HFRLNQXUDBUBLZ-SCVCMEIPSA-N 0 1 244.329 2.389 20 0 BEADMN C[C@@H]1CCCN1Cc1cn(C)nc1Cl ZINC000857020568 588882640 /nfs/dbraw/zinc/88/26/40/588882640.db2.gz AQJXTEGIZHREQK-MRVPVSSYSA-N 0 1 213.712 2.058 20 0 BEADMN CN1CCN(C/C=C\c2cccc(F)c2)CC1 ZINC000893863509 583235027 /nfs/dbraw/zinc/23/50/27/583235027.db2.gz FJUNZPUAQBNTRH-HYXAFXHYSA-N 0 1 234.318 2.086 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@]1(C)CCC[C@H]1C ZINC000893871564 583237345 /nfs/dbraw/zinc/23/73/45/583237345.db2.gz GAQUIVJWCZAGER-BZPMIXESSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CCOC)Cc1ccc(SC)o1 ZINC000893927504 583250705 /nfs/dbraw/zinc/25/07/05/583250705.db2.gz MZBUIQLXXKTBMY-UHFFFAOYSA-N 0 1 229.345 2.470 20 0 BEADMN Cc1ncoc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000893978944 583266669 /nfs/dbraw/zinc/26/66/69/583266669.db2.gz ZCXVKMAINZLKAM-DTORHVGOSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1ncoc1CN1CCSC(C)(C)C1 ZINC000894034517 583278716 /nfs/dbraw/zinc/27/87/16/583278716.db2.gz POXAYOMRUQSMJL-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1ncoc1CN1CCS[C@@H](C)[C@@H]1C ZINC000894034288 583278930 /nfs/dbraw/zinc/27/89/30/583278930.db2.gz OWBKAOIPUPJKPT-UWVGGRQHSA-N 0 1 226.345 2.309 20 0 BEADMN COCCOc1ccc(CN2[C@@H](C)C[C@@H]2C)o1 ZINC000894140494 583315855 /nfs/dbraw/zinc/31/58/55/583315855.db2.gz REMVNNSELUUCKP-QWRGUYRKSA-N 0 1 239.315 2.288 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cn2ccnc2s1 ZINC000894140543 583316833 /nfs/dbraw/zinc/31/68/33/583316833.db2.gz RZGLZGFROGXQQT-RKDXNWHRSA-N 0 1 221.329 2.379 20 0 BEADMN Cc1ncoc1CNCCN(C)c1ccccc1 ZINC000894165536 583322454 /nfs/dbraw/zinc/32/24/54/583322454.db2.gz MQKPIYKCEHFTKM-UHFFFAOYSA-N 0 1 245.326 2.209 20 0 BEADMN Cc1conc1CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000878406779 583372769 /nfs/dbraw/zinc/37/27/69/583372769.db2.gz CUUXCHBOMDOZGS-STQMWFEESA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)c1cc(CN[C@@H]2COCC2(C)C)on1 ZINC000894255520 583394482 /nfs/dbraw/zinc/39/44/82/583394482.db2.gz FCGYCEYAJZRBPQ-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000879327544 583426022 /nfs/dbraw/zinc/42/60/22/583426022.db2.gz WKHNDLPMSFOKJT-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)CN(Cc1ccccc1)CN1CCC1=O ZINC000857232027 588898003 /nfs/dbraw/zinc/89/80/03/588898003.db2.gz JENBGCZQSVVSIG-UHFFFAOYSA-N 0 1 246.354 2.334 20 0 BEADMN COc1cccc2c1CC[C@@H]2NCc1c[nH]cn1 ZINC000894341842 583428870 /nfs/dbraw/zinc/42/88/70/583428870.db2.gz FMYSCYCKGPAYLG-ZDUSSCGKSA-N 0 1 243.310 2.195 20 0 BEADMN c1cn(C2CCCC2)nc1CNCc1cnc[nH]1 ZINC000894344865 583430396 /nfs/dbraw/zinc/43/03/96/583430396.db2.gz BEAZEIMWDHIMQU-UHFFFAOYSA-N 0 1 245.330 2.011 20 0 BEADMN CCC[C@@]1(C)CCCN(CN2CCC2=O)C1 ZINC000857234358 588899339 /nfs/dbraw/zinc/89/93/39/588899339.db2.gz JFJIUYWEKNXKJO-ZDUSSCGKSA-N 0 1 224.348 2.078 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cnn(C3CCC3)c2)C1 ZINC000894398179 583448855 /nfs/dbraw/zinc/44/88/55/583448855.db2.gz QXYVDTDWGGYUQH-OKILXGFUSA-N 0 1 249.358 2.217 20 0 BEADMN COC1(C)CCN(Cc2[nH]nc(C)c2C)CC1 ZINC000894424028 583455328 /nfs/dbraw/zinc/45/53/28/583455328.db2.gz ACEXFIVWLAYKMC-UHFFFAOYSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1[nH]nc(CN2CCOc3ccccc32)c1C ZINC000894429625 583456432 /nfs/dbraw/zinc/45/64/32/583456432.db2.gz WFFFBLPRYVBROI-UHFFFAOYSA-N 0 1 243.310 2.426 20 0 BEADMN c1ncc(CN2CC3(CC3)c3ccccc32)[nH]1 ZINC000894429868 583456467 /nfs/dbraw/zinc/45/64/67/583456467.db2.gz RJACBITXGQHPLD-UHFFFAOYSA-N 0 1 225.295 2.462 20 0 BEADMN CCCSC[C@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000894468271 583468617 /nfs/dbraw/zinc/46/86/17/583468617.db2.gz UQVWDMIHNMNZMD-IUCAKERBSA-N 0 1 242.392 2.295 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCC(C)(C)O1 ZINC000894503875 583473542 /nfs/dbraw/zinc/47/35/42/583473542.db2.gz MTXGVMWEXHVJSJ-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN CCOC1CC(N(C)Cc2ccc(OC)o2)C1 ZINC000894512104 583475266 /nfs/dbraw/zinc/47/52/66/583475266.db2.gz XAILSDYETOZFTQ-UHFFFAOYSA-N 0 1 239.315 2.288 20 0 BEADMN CC[C@]1(C)CN(Cc2n[nH]c(C)c2C)CCO1 ZINC000894535330 583479827 /nfs/dbraw/zinc/47/98/27/583479827.db2.gz ZEBDHXXMZUWNGS-CYBMUJFWSA-N 0 1 237.347 2.027 20 0 BEADMN c1cn2cc(CN3CC(C4CC4)C3)sc2n1 ZINC000894564447 583484486 /nfs/dbraw/zinc/48/44/86/583484486.db2.gz AVAFYHSBWAFJFX-UHFFFAOYSA-N 0 1 233.340 2.238 20 0 BEADMN CC[C@@H]1C[C@@H](CN(C)Cc2ncc[nH]2)CCO1 ZINC000894586297 583489794 /nfs/dbraw/zinc/48/97/94/583489794.db2.gz MVBMMFNPHPPRNP-NWDGAFQWSA-N 0 1 237.347 2.047 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1ccc2oc(=O)oc2c1 ZINC000894601458 583491123 /nfs/dbraw/zinc/49/11/23/583491123.db2.gz SBHUPMAAUVXCNZ-DTORHVGOSA-N 0 1 233.267 2.369 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894597044 583492910 /nfs/dbraw/zinc/49/29/10/583492910.db2.gz IMGDHQSMGWFIRE-ZDUSSCGKSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1[nH]nc(CN2CCC(F)(F)CC2)c1C ZINC000894631766 583498262 /nfs/dbraw/zinc/49/82/62/583498262.db2.gz WISHDUITRZQRRZ-UHFFFAOYSA-N 0 1 229.274 2.258 20 0 BEADMN CSCCCN(C)Cc1[nH]nc(C)c1C ZINC000894652045 583500088 /nfs/dbraw/zinc/50/00/88/583500088.db2.gz JNOQVJDBNJHRQG-UHFFFAOYSA-N 0 1 227.377 2.211 20 0 BEADMN COC(=O)c1ccc(CN2CC3(CC3)C2)cc1C ZINC000894663390 583501790 /nfs/dbraw/zinc/50/17/90/583501790.db2.gz JTWMBLLQYWLAPG-UHFFFAOYSA-N 0 1 245.322 2.377 20 0 BEADMN CS[C@@H]1CCN(Cc2cnc(F)cc2C)C1 ZINC000894691888 583508218 /nfs/dbraw/zinc/50/82/18/583508218.db2.gz JGUPHJZKAMAVTN-LLVKDONJSA-N 0 1 240.347 2.466 20 0 BEADMN C[C@@]1(Br)C[C@H]1CN1CC[C@@H](F)C1 ZINC000894705226 583512199 /nfs/dbraw/zinc/51/21/99/583512199.db2.gz ALOBUJNSEKEGHQ-DJLDLDEBSA-N 0 1 236.128 2.204 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2ccc(O)cc2)c1C ZINC000894777895 583519318 /nfs/dbraw/zinc/51/93/18/583519318.db2.gz VLLRPQYQOKXAFR-UHFFFAOYSA-N 0 1 245.326 2.364 20 0 BEADMN Cc1ncoc1CN[C@@H](C)[C@H](O)c1ccccc1 ZINC000894785962 583521512 /nfs/dbraw/zinc/52/15/12/583521512.db2.gz BAISKRLREOQQRQ-FZMZJTMJSA-N 0 1 246.310 2.195 20 0 BEADMN COC1CN(C[C@@H]2CCc3ccccc32)C1 ZINC000894820310 583525085 /nfs/dbraw/zinc/52/50/85/583525085.db2.gz VPBMCAPMRBKYBL-LBPRGKRZSA-N 0 1 217.312 2.047 20 0 BEADMN FC[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000880299667 583526184 /nfs/dbraw/zinc/52/61/84/583526184.db2.gz XAQCFTYWUDIKEZ-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN COc1cc(NCc2cnc[nH]2)cc(OC)c1C ZINC000894855183 583532528 /nfs/dbraw/zinc/53/25/28/583532528.db2.gz OAJMRHZQNYBEPL-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN CCOc1cncc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000894861208 583534711 /nfs/dbraw/zinc/53/47/11/583534711.db2.gz BJSGXRFQWPCBQN-GHMZBOCLSA-N 0 1 220.316 2.321 20 0 BEADMN COC(=O)/C=C\c1ccc(CN2C[C@H](C)[C@@H]2C)o1 ZINC000894862236 583535134 /nfs/dbraw/zinc/53/51/34/583535134.db2.gz VEWGTEQCYGWXOB-TWHAFNCTSA-N 0 1 249.310 2.306 20 0 BEADMN C[C@H]1CN(Cc2c(C3CC3)cnn2C)[C@H]1C ZINC000894861507 583535950 /nfs/dbraw/zinc/53/59/50/583535950.db2.gz JNRPHTYILARTNA-UWVGGRQHSA-N 0 1 219.332 2.138 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1c(C2CC2)cnn1C ZINC000894861508 583536092 /nfs/dbraw/zinc/53/60/92/583536092.db2.gz JNRPHTYILARTNA-VHSXEESVSA-N 0 1 219.332 2.138 20 0 BEADMN C[C@@H]1CN(Cc2c(C3CC3)cnn2C)[C@@H]1C ZINC000894861506 583536238 /nfs/dbraw/zinc/53/62/38/583536238.db2.gz JNRPHTYILARTNA-NXEZZACHSA-N 0 1 219.332 2.138 20 0 BEADMN CSc1ccc(CN2CCC[C@H](O)CC2)o1 ZINC000894866306 583537630 /nfs/dbraw/zinc/53/76/30/583537630.db2.gz PEXNOBCWQNCFJG-JTQLQIEISA-N 0 1 241.356 2.348 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1CCCCC(=O)[O-] ZINC000737772125 583547879 /nfs/dbraw/zinc/54/78/79/583547879.db2.gz IHZASWIHODAKHL-LLVKDONJSA-N 0 1 236.315 2.120 20 0 BEADMN CO[C@](C)(CN1CC(C(F)(F)F)C1)C1CC1 ZINC000894892135 583548780 /nfs/dbraw/zinc/54/87/80/583548780.db2.gz YHFVHAFBZISHSF-SNVBAGLBSA-N 0 1 237.265 2.296 20 0 BEADMN C[C@H](C(=O)N(C)C)N1Cc2ccccc2[C@@H](C)C1 ZINC000726955927 583550958 /nfs/dbraw/zinc/55/09/58/583550958.db2.gz XBWONEKSQFXQKN-NWDGAFQWSA-N 0 1 246.354 2.082 20 0 BEADMN Cc1coc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000894985567 583564437 /nfs/dbraw/zinc/56/44/37/583564437.db2.gz ROSGKQXPISTLKF-ONGXEEELSA-N 0 1 209.314 2.278 20 0 BEADMN Cc1[nH]nc(CN2CCO[C@@H](C3CCC3)C2)c1C ZINC000894987425 583565428 /nfs/dbraw/zinc/56/54/28/583565428.db2.gz PYHAHNAMYIWOEP-CQSZACIVSA-N 0 1 249.358 2.027 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000895009573 583567248 /nfs/dbraw/zinc/56/72/48/583567248.db2.gz CBBREIHSNIQHAY-VHSXEESVSA-N 0 1 237.372 2.379 20 0 BEADMN CCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000857851938 588912701 /nfs/dbraw/zinc/91/27/01/588912701.db2.gz SRFFSSFEXGBSHT-JQWIXIFHSA-N 0 1 249.358 2.333 20 0 BEADMN CCCCOCCN[C@H]1CCCc2c[nH]nc21 ZINC000857851732 588912714 /nfs/dbraw/zinc/91/27/14/588912714.db2.gz QDWNRZGDTMDXQQ-LBPRGKRZSA-N 0 1 237.347 2.193 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)c(F)c1 ZINC000639075150 583580312 /nfs/dbraw/zinc/58/03/12/583580312.db2.gz XYPPAWJCVVBZLJ-SMDDNHRTSA-N 0 1 237.318 2.337 20 0 BEADMN CC1(CC(F)F)CN(C[C@H]2COC(C)(C)O2)C1 ZINC000895105959 583590167 /nfs/dbraw/zinc/59/01/67/583590167.db2.gz WCDKCXCVEXRGHV-VIFPVBQESA-N 0 1 249.301 2.115 20 0 BEADMN FCCn1cc(N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000857871342 588917835 /nfs/dbraw/zinc/91/78/35/588917835.db2.gz ODOLFOIPYKAPAY-LLVKDONJSA-N 0 1 249.293 2.065 20 0 BEADMN CCc1nn(C)cc1N[C@H]1CCCc2cn[nH]c21 ZINC000857863018 588915375 /nfs/dbraw/zinc/91/53/75/588915375.db2.gz OTVCWEAWBBGAGO-NSHDSACASA-N 0 1 245.330 2.195 20 0 BEADMN COc1cc(C)ccc1CNC[C@@H]1CC(C)=NO1 ZINC000895300458 583642114 /nfs/dbraw/zinc/64/21/14/583642114.db2.gz MFJNMVWNVVTDAR-ZDUSSCGKSA-N 0 1 248.326 2.258 20 0 BEADMN COc1cccc(C)c1CNC[C@H]1CC(C)=NO1 ZINC000895300618 583642264 /nfs/dbraw/zinc/64/22/64/583642264.db2.gz OROYDBRELOVQFZ-GFCCVEGCSA-N 0 1 248.326 2.258 20 0 BEADMN CC1=NO[C@H](CNCc2cc3cccnc3o2)C1 ZINC000895303286 583644975 /nfs/dbraw/zinc/64/49/75/583644975.db2.gz AIBHTCIGNCLMBO-LBPRGKRZSA-N 0 1 245.282 2.082 20 0 BEADMN Cc1cc(CNC[C@@H]2CC(C)=NO2)c(C)o1 ZINC000895310346 583646968 /nfs/dbraw/zinc/64/69/68/583646968.db2.gz ZSDVHJCNLQOSSC-LBPRGKRZSA-N 0 1 222.288 2.151 20 0 BEADMN CC1=NO[C@H](CNCc2cccc(F)c2)C1 ZINC000895310552 583647349 /nfs/dbraw/zinc/64/73/49/583647349.db2.gz ITQPALZUOHRLQL-LBPRGKRZSA-N 0 1 222.263 2.080 20 0 BEADMN Cc1ncoc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000895359337 583659450 /nfs/dbraw/zinc/65/94/50/583659450.db2.gz RNAWGMQISQLYIB-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN Cc1n[nH]c(CN2CC(CC3CC3)C2)c1C ZINC000895380002 583662347 /nfs/dbraw/zinc/66/23/47/583662347.db2.gz WXOFZWZNJYIQSE-UHFFFAOYSA-N 0 1 219.332 2.258 20 0 BEADMN COC(=O)c1cc(CNCC(C)(C)F)cs1 ZINC000895414343 583667231 /nfs/dbraw/zinc/66/72/31/583667231.db2.gz BZICBMZWBYPZSM-UHFFFAOYSA-N 0 1 245.319 2.372 20 0 BEADMN FC(F)[C@@H]1CCN1Cc1[nH]nc2ccccc21 ZINC000895437571 583674676 /nfs/dbraw/zinc/67/46/76/583674676.db2.gz ULFFZNHFNOGBQW-NSHDSACASA-N 0 1 237.253 2.402 20 0 BEADMN CC[C@](C)(CN(C)Cc1ccns1)OC ZINC000895451966 583676353 /nfs/dbraw/zinc/67/63/53/583676353.db2.gz HMNULJDNRNVOFO-LLVKDONJSA-N 0 1 228.361 2.390 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)NC(C)(C)C)c2C1 ZINC000895452767 583677148 /nfs/dbraw/zinc/67/71/48/583677148.db2.gz VKWKTXVAOLMTKR-QMMMGPOBSA-N 0 1 235.331 2.063 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000895462753 583678254 /nfs/dbraw/zinc/67/82/54/583678254.db2.gz WGTRIFPWLMBYCW-NWDGAFQWSA-N 0 1 238.375 2.260 20 0 BEADMN Cc1ncoc1CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000895475617 583679681 /nfs/dbraw/zinc/67/96/81/583679681.db2.gz YRMWMMWMNAGSRH-SRVKXCTJSA-N 0 1 236.315 2.030 20 0 BEADMN CCn1nccc1CNCc1cnc(F)cc1C ZINC000895480562 583680133 /nfs/dbraw/zinc/68/01/33/583680133.db2.gz IOCZRBMKZVMPJB-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CCCn1nccc1CN1CCC[C@H](CF)C1 ZINC000895543939 583689257 /nfs/dbraw/zinc/68/92/57/583689257.db2.gz HBKBNCIFFRDXJE-GFCCVEGCSA-N 0 1 239.338 2.475 20 0 BEADMN CCOc1cncc(CN2CCC(F)CC2)c1 ZINC000895546651 583690058 /nfs/dbraw/zinc/69/00/58/583690058.db2.gz RXBNJYQSGVDZNV-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895606068 583696939 /nfs/dbraw/zinc/69/69/39/583696939.db2.gz WFYDBPRZHOBXRH-JQWIXIFHSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCC1CCCC1 ZINC000895678895 583704706 /nfs/dbraw/zinc/70/47/06/583704706.db2.gz XYAMOXBOAJCWTL-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(C)C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895666450 583705904 /nfs/dbraw/zinc/70/59/04/583705904.db2.gz YAIIIQUWIWBZGJ-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C ZINC000895708176 583711954 /nfs/dbraw/zinc/71/19/54/583711954.db2.gz ZRASOMMDHGMBJI-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1[C@@H](Nc2nc3c(cccc3F)o2)CC[N@H+]1C ZINC000895737118 583718411 /nfs/dbraw/zinc/71/84/11/583718411.db2.gz RDLIPJXVWZUWFB-WPRPVWTQSA-N 0 1 249.289 2.471 20 0 BEADMN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ncco1 ZINC000895766765 583719468 /nfs/dbraw/zinc/71/94/68/583719468.db2.gz UVDSVXVJGBNYIE-YFKTTZPYSA-N 0 1 248.326 2.283 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ncco1 ZINC000895764882 583723079 /nfs/dbraw/zinc/72/30/79/583723079.db2.gz KHLILRVMUGCZMK-DCAQKATOSA-N 0 1 224.304 2.140 20 0 BEADMN CN1CC[C@H]1CNc1nc2ccc(F)cc2o1 ZINC000895767417 583723210 /nfs/dbraw/zinc/72/32/10/583723210.db2.gz MHTUGAXMYDNWND-VIFPVBQESA-N 0 1 235.262 2.083 20 0 BEADMN C[C@H](N[C@@H](C)C1CCOCC1)c1ncco1 ZINC000895767117 583723558 /nfs/dbraw/zinc/72/35/58/583723558.db2.gz VUWRFCANXVDLSX-UWVGGRQHSA-N 0 1 224.304 2.140 20 0 BEADMN Cc1nc(NC[C@H]2CCN2C)nc2ccccc12 ZINC000895768843 583724121 /nfs/dbraw/zinc/72/41/21/583724121.db2.gz IYFWJPRXICNTLZ-LLVKDONJSA-N 0 1 242.326 2.054 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CC2(CCC2)CO1 ZINC000895789640 583727909 /nfs/dbraw/zinc/72/79/09/583727909.db2.gz OJZJWDPZJMIQMT-NSHDSACASA-N 0 1 236.315 2.032 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC000895855929 583737399 /nfs/dbraw/zinc/73/73/99/583737399.db2.gz VCHZXOZJDITHEQ-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](COc1ccccc1)NC(=O)C(F)(F)F ZINC000147765030 583738900 /nfs/dbraw/zinc/73/89/00/583738900.db2.gz KJFTXLUWPLYNIG-QMMMGPOBSA-N 0 1 247.216 2.132 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2cc(C)ns2)C1 ZINC000895926697 583748609 /nfs/dbraw/zinc/74/86/09/583748609.db2.gz JPFWHKYGDNUXGA-GHMZBOCLSA-N 0 1 240.372 2.451 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2[nH]nc(C)c2C)C1 ZINC000895927649 583748808 /nfs/dbraw/zinc/74/88/08/583748808.db2.gz OJCVYCJGTHCDLX-BXKDBHETSA-N 0 1 237.347 2.026 20 0 BEADMN COc1ccc(CNC2(C)CC(F)(F)C2)nc1 ZINC000895947373 583749374 /nfs/dbraw/zinc/74/93/74/583749374.db2.gz GCTHYQGFLXKEEP-UHFFFAOYSA-N 0 1 242.269 2.368 20 0 BEADMN COCC1CN(CCc2ccc(F)c(F)c2)C1 ZINC000895976890 583753143 /nfs/dbraw/zinc/75/31/43/583753143.db2.gz VUPXTZIYILGLIC-UHFFFAOYSA-N 0 1 241.281 2.086 20 0 BEADMN COCC1CN(C/C=C/c2ccccc2OC)C1 ZINC000895971205 583755886 /nfs/dbraw/zinc/75/58/86/583755886.db2.gz ODWQZODKDFOMKA-FNORWQNLSA-N 0 1 247.338 2.287 20 0 BEADMN Cn1ncc(CN2CCC(F)CC2)c1C1CC1 ZINC000896000649 583760251 /nfs/dbraw/zinc/76/02/51/583760251.db2.gz WLKJKITWTOPFSO-UHFFFAOYSA-N 0 1 237.322 2.231 20 0 BEADMN CC[C@@H]1CCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896132231 583774625 /nfs/dbraw/zinc/77/46/25/583774625.db2.gz LTTBSSTXKSTEON-NEPJUHHUSA-N 0 1 238.375 2.260 20 0 BEADMN CCN(C(=O)[C@@H]1CCN1C(C)(C)C)C1CCC1 ZINC000896508375 583808403 /nfs/dbraw/zinc/80/84/03/583808403.db2.gz RNAOQRFRCIYAEU-LBPRGKRZSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H]1CCN(Cc2n[nH]c3ccccc32)CCO1 ZINC000896584619 583815776 /nfs/dbraw/zinc/81/57/76/583815776.db2.gz PDELPLNUZKKDOH-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1CCN(Cc2[nH]nc3ccccc32)CCO1 ZINC000896584619 583815779 /nfs/dbraw/zinc/81/57/79/583815779.db2.gz PDELPLNUZKKDOH-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN CS[C@@H]1CC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000896598191 583816638 /nfs/dbraw/zinc/81/66/38/583816638.db2.gz FFWSATXSHAEHSE-IJLUTSLNSA-N 0 1 249.383 2.411 20 0 BEADMN CC[C@@](C)(CN[C@@H](c1ncccn1)C1CC1)OC ZINC000896598238 583816828 /nfs/dbraw/zinc/81/68/28/583816828.db2.gz GBFKASCFKCEUHH-OCCSQVGLSA-N 0 1 249.358 2.332 20 0 BEADMN C[C@@H]1CSC[C@H]1N[C@H](c1ncccn1)C1CC1 ZINC000896600406 583817416 /nfs/dbraw/zinc/81/74/16/583817416.db2.gz XFSAWNZQWIRZQD-JLLWLGSASA-N 0 1 249.383 2.269 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC(C)(C)C1 ZINC000896738384 583829107 /nfs/dbraw/zinc/82/91/07/583829107.db2.gz NCRWKLPUGHXIQZ-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN COC1(CN2CCn3cccc3C2)CCCC1 ZINC000896761649 583831457 /nfs/dbraw/zinc/83/14/57/583831457.db2.gz SIULBGFKYDDLQW-UHFFFAOYSA-N 0 1 234.343 2.263 20 0 BEADMN C[C@@H](NC(CF)CF)[C@@H]1C[C@H]1C1CC1 ZINC000858169671 588936874 /nfs/dbraw/zinc/93/68/74/588936874.db2.gz CCTPFURNHLGKST-GGVZMXCHSA-N 0 1 203.276 2.318 20 0 BEADMN OC1(C2CCC2)CCN(Cc2ccoc2)CC1 ZINC000897034893 583872370 /nfs/dbraw/zinc/87/23/70/583872370.db2.gz PIXBDCJOLXTCBY-UHFFFAOYSA-N 0 1 235.327 2.407 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000897067821 583877097 /nfs/dbraw/zinc/87/70/97/583877097.db2.gz NYHWSSUJLAEQPH-AWEZNQCLSA-N 0 1 246.354 2.181 20 0 BEADMN Cc1nc(CNc2nc3cc(C)ccc3o2)n[nH]1 ZINC000897208790 583894694 /nfs/dbraw/zinc/89/46/94/583894694.db2.gz FBSVFUANXCWDET-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN CC=CCNCc1cc(C(F)(F)F)n[nH]1 ZINC000858289765 588942467 /nfs/dbraw/zinc/94/24/67/588942467.db2.gz AOHKNVCARHJSEW-IHWYPQMZSA-N 0 1 219.210 2.094 20 0 BEADMN CCN(CC[S@](C)=O)Cc1ccccc1C ZINC000798194266 583940656 /nfs/dbraw/zinc/94/06/56/583940656.db2.gz YPXOPBBCGLYLFE-INIZCTEOSA-N 0 1 239.384 2.195 20 0 BEADMN CC1(C)CC(NCc2noc3c2COCC3)C1 ZINC000897365651 583942755 /nfs/dbraw/zinc/94/27/55/583942755.db2.gz GDWJRDCQSFROFY-UHFFFAOYSA-N 0 1 236.315 2.026 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccns2)[nH]n1 ZINC000858317095 588944379 /nfs/dbraw/zinc/94/43/79/588944379.db2.gz HTVZQADHWDUDFL-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000897512243 583999128 /nfs/dbraw/zinc/99/91/28/583999128.db2.gz RUGLKGONGZGFJO-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN Cl/C=C/C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932029 584030111 /nfs/dbraw/zinc/03/01/11/584030111.db2.gz SXKNIFONDUNLMI-FWEMWIAWSA-N 0 1 225.723 2.273 20 0 BEADMN CC1=CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000897640534 584034541 /nfs/dbraw/zinc/03/45/41/584034541.db2.gz PJJLXIPDAGXELU-GFCCVEGCSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@@H]1O ZINC000897678973 584036864 /nfs/dbraw/zinc/03/68/64/584036864.db2.gz GJMPBRMAEPOPKF-XCBNKYQSSA-N 0 1 231.748 2.214 20 0 BEADMN COc1ccccc1/C=C/C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684145 584040198 /nfs/dbraw/zinc/04/01/98/584040198.db2.gz KAFQEAIBALINKE-LFHSMUGYSA-N 0 1 247.338 2.021 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CCC1(C)C ZINC000897759298 584044317 /nfs/dbraw/zinc/04/43/17/584044317.db2.gz XROLFKSFTBORBR-WDEREUQCSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@@H]3CCC[C@H]23)no1 ZINC000897958137 584066155 /nfs/dbraw/zinc/06/61/55/584066155.db2.gz HNLJQQLYGZXBTA-ZMLRMANQSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)no1 ZINC000897958134 584066458 /nfs/dbraw/zinc/06/64/58/584066458.db2.gz HNLJQQLYGZXBTA-MVWJERBFSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]3CCC[C@H]32)no1 ZINC000897958135 584066626 /nfs/dbraw/zinc/06/66/26/584066626.db2.gz HNLJQQLYGZXBTA-YUSALJHKSA-N 0 1 206.289 2.261 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H]3CCC[C@H]32)s1 ZINC000897959434 584067316 /nfs/dbraw/zinc/06/73/16/584067316.db2.gz IBYPQOHSDYGFOP-OPRDCNLKSA-N 0 1 237.372 2.379 20 0 BEADMN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1cnccn1 ZINC000898047051 584073840 /nfs/dbraw/zinc/07/38/40/584073840.db2.gz QDOJKOQCKRKJMS-RYUDHWBXSA-N 0 1 249.358 2.475 20 0 BEADMN COc1nn(C)cc1CN[C@H](C)c1ccccc1 ZINC000898029024 584076908 /nfs/dbraw/zinc/07/69/08/584076908.db2.gz CSOUDQHKMCPVAV-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN CCn1ncc(CN[C@H](C)C(C)(C)C(F)F)n1 ZINC000858445073 588955405 /nfs/dbraw/zinc/95/54/05/588955405.db2.gz ZTDOOEULYBRDLU-MRVPVSSYSA-N 0 1 246.305 2.067 20 0 BEADMN O[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1F ZINC000898189876 584094615 /nfs/dbraw/zinc/09/46/15/584094615.db2.gz XCCKARRQJOIHBO-XQLPTFJDSA-N 0 1 249.329 2.195 20 0 BEADMN CC(C)CCCCN1CC[C@H](O)[C@H](F)C1 ZINC000898189244 584094943 /nfs/dbraw/zinc/09/49/43/584094943.db2.gz RRTORARZQUMUPQ-NEPJUHHUSA-N 0 1 217.328 2.217 20 0 BEADMN O[C@H]1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC000898192432 584095692 /nfs/dbraw/zinc/09/56/92/584095692.db2.gz IUUZIFHJGPDZHN-JSGCOSHPSA-N 0 1 248.301 2.073 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898272991 584104871 /nfs/dbraw/zinc/10/48/71/584104871.db2.gz NTJZHBPOZWRIGK-NSHDSACASA-N 0 1 240.391 2.410 20 0 BEADMN C[C@@H](NC(=O)c1cncc2nc[nH]c21)C(C)(C)C ZINC000898294573 584107933 /nfs/dbraw/zinc/10/79/33/584107933.db2.gz MINMAQVOCIQQHX-MRVPVSSYSA-N 0 1 246.314 2.122 20 0 BEADMN CSCC(C)(C)NCc1nccn1C1CC1 ZINC000898305316 584108872 /nfs/dbraw/zinc/10/88/72/584108872.db2.gz XZOZGBIOMJHLIC-UHFFFAOYSA-N 0 1 239.388 2.449 20 0 BEADMN CC[C@H](C(=O)Nc1cncc(C(C)C)c1)N(C)C ZINC000888235654 584118870 /nfs/dbraw/zinc/11/88/70/584118870.db2.gz UIKQKDCDJBGQRF-CYBMUJFWSA-N 0 1 249.358 2.484 20 0 BEADMN CCn1ncc(CNC2(C)C(C)(C)C2(C)C)n1 ZINC000898414105 584131636 /nfs/dbraw/zinc/13/16/36/584131636.db2.gz IBOKVMPSVGHACQ-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN CCn1cc(CNC2(C)C(C)(C)C2(C)C)nn1 ZINC000898412927 584131681 /nfs/dbraw/zinc/13/16/81/584131681.db2.gz FQSHFTVFETXUMN-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN Cl/C=C/CNCc1ccc2c(n1)CCC2 ZINC000898428914 584132905 /nfs/dbraw/zinc/13/29/05/584132905.db2.gz KQWMABRFHSSZSY-FARCUNLSSA-N 0 1 222.719 2.412 20 0 BEADMN Cn1cc(CNC/C=C\Cl)c(C2CC2)n1 ZINC000898429684 584133876 /nfs/dbraw/zinc/13/38/76/584133876.db2.gz XDFYQYGUQXEAKS-DJWKRKHSSA-N 0 1 225.723 2.140 20 0 BEADMN COC(=O)c1csc(CNC/C=C\Cl)c1 ZINC000898430124 584134288 /nfs/dbraw/zinc/13/42/88/584134288.db2.gz UYOAGSNGZPQOHL-IHWYPQMZSA-N 0 1 245.731 2.377 20 0 BEADMN CCOc1cncc(CNC/C=C\Cl)c1 ZINC000898430158 584134582 /nfs/dbraw/zinc/13/45/82/584134582.db2.gz VWOAERAYPSNOKD-ARJAWSKDSA-N 0 1 226.707 2.322 20 0 BEADMN Cc1cccc2ncc(CNC/C=C\Cl)n21 ZINC000898435332 584135974 /nfs/dbraw/zinc/13/59/74/584135974.db2.gz HIETUUBYHCTERY-UTCJRWHESA-N 0 1 235.718 2.485 20 0 BEADMN O[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)o1)C2 ZINC000898555381 584142060 /nfs/dbraw/zinc/14/20/60/584142060.db2.gz LMBRIFHJGKIHMR-UTLUCORTSA-N 0 1 241.718 2.278 20 0 BEADMN O=C(NOc1ccc(F)cc1)C1(CCF)CC1 ZINC000898575864 584143508 /nfs/dbraw/zinc/14/35/08/584143508.db2.gz YZWJYUPNVHRZNL-UHFFFAOYSA-N 0 1 241.237 2.376 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CC(N2CCCC2)C1 ZINC000898612447 584146107 /nfs/dbraw/zinc/14/61/07/584146107.db2.gz FUIZRSAHGCZBQD-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000898788490 584159496 /nfs/dbraw/zinc/15/94/96/584159496.db2.gz QNKIEWNLLSBXDK-NEPJUHHUSA-N 0 1 238.375 2.164 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)[C@H]1CCN1C1CCCC1 ZINC000899198973 584180251 /nfs/dbraw/zinc/18/02/51/584180251.db2.gz CREUPCAXKOPIGO-TZMCWYRMSA-N 0 1 248.370 2.086 20 0 BEADMN CCCCCn1[nH]c(C2CCOCC2)cc1=O ZINC000899353757 584201208 /nfs/dbraw/zinc/20/12/08/584201208.db2.gz YMYVHOBLTPMHOX-UHFFFAOYSA-N 0 1 238.331 2.192 20 0 BEADMN Cc1[nH]n(-c2cc(F)ccc2F)c(=O)c1C ZINC000899361717 584206624 /nfs/dbraw/zinc/20/66/24/584206624.db2.gz BQCPATJFQRSZMB-LURJTMIESA-N 0 1 224.210 2.323 20 0 BEADMN CCC1=NN(C2C[C@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000899360002 584207065 /nfs/dbraw/zinc/20/70/65/584207065.db2.gz IITPFODNPFWPMO-GUBZILKMSA-N 0 1 238.331 2.187 20 0 BEADMN CCc1[nH]n(C2C[C@H](C)O[C@@H](C)C2)c(=O)c1C ZINC000899360002 584207068 /nfs/dbraw/zinc/20/70/68/584207068.db2.gz IITPFODNPFWPMO-GUBZILKMSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1cn[nH]c1C[S@](=O)Cc1ccsc1 ZINC000899434103 584215454 /nfs/dbraw/zinc/21/54/54/584215454.db2.gz RFSPMCNAQZRDQT-OAHLLOKOSA-N 0 1 240.353 2.229 20 0 BEADMN CNCc1cn([C@@H](C)c2ccc(F)cc2C)nn1 ZINC000899734849 584231761 /nfs/dbraw/zinc/23/17/61/584231761.db2.gz AHEYQIGGZGHXHB-JTQLQIEISA-N 0 1 248.305 2.054 20 0 BEADMN O=C(NC1CCC=CCC1)c1[nH]nc2c1CCC2 ZINC000899806572 584238209 /nfs/dbraw/zinc/23/82/09/584238209.db2.gz OGPOWBZRXAQJFO-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC1CCC=CCC1 ZINC000899803838 584239325 /nfs/dbraw/zinc/23/93/25/584239325.db2.gz BZGIRMNALPBBET-ZDUSSCGKSA-N 0 1 236.359 2.086 20 0 BEADMN CCN(Cc1cn(CC)nn1)C1CC(C)(C)C1 ZINC000899870343 584244508 /nfs/dbraw/zinc/24/45/08/584244508.db2.gz SNHLESRQBZDXGB-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)C[C@@H](C)C(C)(C)C)nn1 ZINC000899889510 584247645 /nfs/dbraw/zinc/24/76/45/584247645.db2.gz FGZVXUNDDQYLEJ-LLVKDONJSA-N 0 1 238.379 2.412 20 0 BEADMN C[C@@H]1CC[N@H+]1C[C@@H](O)CCOCc1ccccc1 ZINC000899894400 584248162 /nfs/dbraw/zinc/24/81/62/584248162.db2.gz ZHYSLHCCCZQJJM-HIFRSBDPSA-N 0 1 249.354 2.048 20 0 BEADMN CCCCCC[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900081525 584272412 /nfs/dbraw/zinc/27/24/12/584272412.db2.gz JAPCMKPQYREMDL-NSHDSACASA-N 0 1 237.347 2.427 20 0 BEADMN CCCCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC000900110480 584276773 /nfs/dbraw/zinc/27/67/73/584276773.db2.gz FUIOGWUHTOOPNI-QMMMGPOBSA-N 0 1 227.283 2.247 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)Cc2cnc[nH]2)s1 ZINC000900334888 584294171 /nfs/dbraw/zinc/29/41/71/584294171.db2.gz CIYHEXIKIGLHHK-VIFPVBQESA-N 0 1 249.339 2.200 20 0 BEADMN CC(C)N(Cc1cn(CCCF)nn1)C(C)C ZINC000900526289 584318971 /nfs/dbraw/zinc/31/89/71/584318971.db2.gz LLSCERSUJHDYIY-UHFFFAOYSA-N 0 1 242.342 2.257 20 0 BEADMN CC(C)(C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900733496 584347278 /nfs/dbraw/zinc/34/72/78/584347278.db2.gz GSSHRNXJDALEPA-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1nc(C)c(C(=O)N(C)c2cccc(C)n2)[nH]1 ZINC000900736130 584347799 /nfs/dbraw/zinc/34/77/99/584347799.db2.gz JPEZBXGRWBINBD-UHFFFAOYSA-N 0 1 244.298 2.007 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000900870521 584363784 /nfs/dbraw/zinc/36/37/84/584363784.db2.gz UEONNFVSYXSHFM-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])[C@@H](C)C(C)C ZINC000116379656 588978735 /nfs/dbraw/zinc/97/87/35/588978735.db2.gz WOVICRGPFXKBEW-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901060553 584380329 /nfs/dbraw/zinc/38/03/29/584380329.db2.gz PVKAHGRSNNIBKB-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN CC(Cl)=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000901106095 584388888 /nfs/dbraw/zinc/38/88/88/584388888.db2.gz KVASUPZMCFKLPP-IWGCBNPKSA-N 0 1 239.706 2.046 20 0 BEADMN CC(C)(C)[C@H](N)c1cc(-c2csnn2)no1 ZINC000901405004 584439642 /nfs/dbraw/zinc/43/96/42/584439642.db2.gz OAPSXAJHWFTJHQ-SECBINFHSA-N 0 1 238.316 2.239 20 0 BEADMN CC[N@@H+](CC(=O)[O-])C/C(C)=C\c1ccccc1 ZINC000901426276 584442416 /nfs/dbraw/zinc/44/24/16/584442416.db2.gz GHHDIJWBSJQGNU-XFXZXTDPSA-N 0 1 233.311 2.496 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2cnccc21 ZINC000901426453 584442760 /nfs/dbraw/zinc/44/27/60/584442760.db2.gz IJRWDIGERUZZRH-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN Cc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000901453070 584443828 /nfs/dbraw/zinc/44/38/28/584443828.db2.gz LJQHZWQYDRTJRL-TZMCWYRMSA-N 0 1 247.338 2.475 20 0 BEADMN CCc1nnc(SC/C=C(/C)COC)[nH]1 ZINC000901443500 584446338 /nfs/dbraw/zinc/44/63/38/584446338.db2.gz QJVINNCSNYTOTE-YVMONPNESA-N 0 1 227.333 2.052 20 0 BEADMN CCc1n[nH]c(SC/C=C(/C)COC)n1 ZINC000901443500 584446339 /nfs/dbraw/zinc/44/63/39/584446339.db2.gz QJVINNCSNYTOTE-YVMONPNESA-N 0 1 227.333 2.052 20 0 BEADMN Cc1cn(C)nc1CSc1nc(C2CC2)n[nH]1 ZINC000901446705 584447245 /nfs/dbraw/zinc/44/72/45/584447245.db2.gz JOAYJTSEHXJFSZ-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN Cc1cn(C)nc1CSc1n[nH]c(C2CC2)n1 ZINC000901446705 584447246 /nfs/dbraw/zinc/44/72/46/584447246.db2.gz JOAYJTSEHXJFSZ-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN CC(C)C(C[N@H+]1CC[C@](F)(C(=O)[O-])C1)C(C)C ZINC000901515581 584461563 /nfs/dbraw/zinc/46/15/63/584461563.db2.gz CDYRQJYFIGKMBO-CYBMUJFWSA-N 0 1 245.338 2.413 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c(C)o1 ZINC000901597456 584468488 /nfs/dbraw/zinc/46/84/88/584468488.db2.gz HZNITJCLXDMDLL-MRVPVSSYSA-N 0 1 225.288 2.049 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)o1 ZINC000901605346 584468768 /nfs/dbraw/zinc/46/87/68/584468768.db2.gz SATYKLKOSSXCSB-UHFFFAOYSA-N 0 1 231.679 2.230 20 0 BEADMN CCc1ccc(C[NH2+][C@@H](CC(F)F)C(=O)[O-])o1 ZINC000901810713 584498583 /nfs/dbraw/zinc/49/85/83/584498583.db2.gz BHWBMZNZSQBYIN-VIFPVBQESA-N 0 1 247.241 2.040 20 0 BEADMN CC(C)(C)CC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901892323 584501853 /nfs/dbraw/zinc/50/18/53/584501853.db2.gz SGWXGSPRLFLPFI-SNVBAGLBSA-N 0 1 245.388 2.172 20 0 BEADMN Oc1c(F)cccc1-c1nc(C2CC2)no1 ZINC000901916369 584503787 /nfs/dbraw/zinc/50/37/87/584503787.db2.gz JSPOGWCSYASBCB-UHFFFAOYSA-N 0 1 220.203 2.459 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](CC3(F)CC3)C[C@H]1CCCC2 ZINC000901910112 584505198 /nfs/dbraw/zinc/50/51/98/584505198.db2.gz CQVPRRJIVMOUGP-ZWNOBZJWSA-N 0 1 241.306 2.065 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@H]1C ZINC000902021572 584514365 /nfs/dbraw/zinc/51/43/65/584514365.db2.gz DIOSKTOIUXLJKV-MXWKQRLJSA-N 0 1 213.321 2.074 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2n1C ZINC000901980112 584511555 /nfs/dbraw/zinc/51/15/55/584511555.db2.gz PJFWBPULISNEAH-SNVBAGLBSA-N 0 1 246.310 2.083 20 0 BEADMN Cc1scc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1C ZINC000901981040 584512110 /nfs/dbraw/zinc/51/21/10/584512110.db2.gz VLDZPBVXGSNWTH-QMMMGPOBSA-N 0 1 227.329 2.270 20 0 BEADMN CC[C@@](C)(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])OC ZINC000902020184 584514463 /nfs/dbraw/zinc/51/44/63/584514463.db2.gz LJNGBMOCAMUZTI-AAEUAGOBSA-N 0 1 245.363 2.233 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCC=CO1)C1CCCC1 ZINC000902040094 584515718 /nfs/dbraw/zinc/51/57/18/584515718.db2.gz YAUYSMIQKVPDFN-LBPRGKRZSA-N 0 1 239.315 2.008 20 0 BEADMN CCN(CN1Cc2ccccc2C1=O)C1CCC1 ZINC000902139123 584526287 /nfs/dbraw/zinc/52/62/87/584526287.db2.gz OWVDZHGSTPKCQJ-UHFFFAOYSA-N 0 1 244.338 2.474 20 0 BEADMN CC(C)n1ncnc1CNc1nccn1C1CC1 ZINC000902113676 584526972 /nfs/dbraw/zinc/52/69/72/584526972.db2.gz IMFKKQFJKKJYOH-UHFFFAOYSA-N 0 1 246.318 2.003 20 0 BEADMN CCn1ccnc1NCc1cnc(F)cc1C ZINC000902114183 584527229 /nfs/dbraw/zinc/52/72/29/584527229.db2.gz NGFLCFFCFJEJCJ-UHFFFAOYSA-N 0 1 234.278 2.358 20 0 BEADMN CCn1cc(CNc2nccn2CC)c(C)n1 ZINC000902115245 584527275 /nfs/dbraw/zinc/52/72/75/584527275.db2.gz ZFYDSMYEVIYVBJ-UHFFFAOYSA-N 0 1 233.319 2.040 20 0 BEADMN CCc1oc(C[NH2+]Cc2ccoc2)cc1C(=O)[O-] ZINC000902122439 584528624 /nfs/dbraw/zinc/52/86/24/584528624.db2.gz DCSGHQCQJIHVAC-UHFFFAOYSA-N 0 1 249.266 2.423 20 0 BEADMN CC(C)[C@H]1CCCN(CN2CCOC2=O)CC1 ZINC000902149679 584530354 /nfs/dbraw/zinc/53/03/54/584530354.db2.gz JTMCZIFSSZEENK-LBPRGKRZSA-N 0 1 240.347 2.154 20 0 BEADMN C[C@@H]1CC[N@@H+](CN2Cc3ccccc3C2=O)[C@@H]1C ZINC000902168256 584534532 /nfs/dbraw/zinc/53/45/32/584534532.db2.gz CUIIGSRTNKAHAF-VXGBXAGGSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@@H]1CCN(CN2Cc3ccccc3C2=O)[C@@H]1C ZINC000902168256 584534534 /nfs/dbraw/zinc/53/45/34/584534534.db2.gz CUIIGSRTNKAHAF-VXGBXAGGSA-N 0 1 244.338 2.330 20 0 BEADMN CCc1oc(C[N@H+]2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000902240686 584540465 /nfs/dbraw/zinc/54/04/65/584540465.db2.gz PDIZJYOEVHYSJE-SECBINFHSA-N 0 1 237.299 2.382 20 0 BEADMN O=C1OCCN1CN1CCCC2(CCCC2)C1 ZINC000902234826 584542511 /nfs/dbraw/zinc/54/25/11/584542511.db2.gz MSAUFTPJJDBYFN-UHFFFAOYSA-N 0 1 238.331 2.052 20 0 BEADMN Cc1[nH]ncc1CNc1cnc(CC2CC2)nc1 ZINC000902261810 584545132 /nfs/dbraw/zinc/54/51/32/584545132.db2.gz SSYQIGCIELWZSM-UHFFFAOYSA-N 0 1 243.314 2.073 20 0 BEADMN Cc1nsc(C)c1CON=C(N)C(C)C ZINC000902328307 584561151 /nfs/dbraw/zinc/56/11/51/584561151.db2.gz RGYISCNNJRINRV-UHFFFAOYSA-N 0 1 227.333 2.414 20 0 BEADMN CC(C)C(N)=NOCCSC(F)(F)F ZINC000902329581 584561748 /nfs/dbraw/zinc/56/17/48/584561748.db2.gz YTBGICLLODAJFX-UHFFFAOYSA-N 0 1 230.255 2.394 20 0 BEADMN COCCCCSCc1[nH]ncc1C ZINC000902388438 584579874 /nfs/dbraw/zinc/57/98/74/584579874.db2.gz WIAFUNBPPKAMLF-UHFFFAOYSA-N 0 1 214.334 2.378 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cc(Cl)n(C)n1 ZINC000859061721 588996104 /nfs/dbraw/zinc/99/61/04/588996104.db2.gz QYOLZWREVFGBAO-QMMMGPOBSA-N 0 1 227.739 2.304 20 0 BEADMN CC1CCN(Cc2ccnc(F)c2)CC1 ZINC000859064234 588996425 /nfs/dbraw/zinc/99/64/25/588996425.db2.gz XGSCQVUKSPFXOU-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1cn[nH]c1CSCc1cc2n(n1)CCC2 ZINC000902413736 584599491 /nfs/dbraw/zinc/59/94/91/584599491.db2.gz MFPRLAPMPNLGBM-UHFFFAOYSA-N 0 1 248.355 2.294 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1CC1(C)C ZINC000902451123 584606809 /nfs/dbraw/zinc/60/68/09/584606809.db2.gz CAYKRSHCPPCBPP-SNVBAGLBSA-N 0 1 227.348 2.465 20 0 BEADMN CCCC[C@@H](COC)NCc1csc(N)n1 ZINC000902492298 584618734 /nfs/dbraw/zinc/61/87/34/584618734.db2.gz XNZFQMVHANMOEE-VIFPVBQESA-N 0 1 243.376 2.020 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902507584 584622308 /nfs/dbraw/zinc/62/23/08/584622308.db2.gz OBSJCCCVIYRJFJ-VOTSOKGWSA-N 0 1 223.272 2.218 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)CC1(C)C ZINC000859090249 589000338 /nfs/dbraw/zinc/00/03/38/589000338.db2.gz PQSPGLODUFWASE-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])no1)C1CCC1 ZINC000902523351 584632344 /nfs/dbraw/zinc/63/23/44/584632344.db2.gz HRNYYPDEQFFNEN-UHFFFAOYSA-N 0 1 238.287 2.136 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000902532091 584633442 /nfs/dbraw/zinc/63/34/42/584633442.db2.gz WDYOOYGWOPDREF-NSHDSACASA-N 0 1 249.310 2.134 20 0 BEADMN CCn1cnc(CNC(C)(C)COC(C)C)c1 ZINC000902599638 584640797 /nfs/dbraw/zinc/64/07/97/584640797.db2.gz IMRCKTPHACYBBH-UHFFFAOYSA-N 0 1 239.363 2.196 20 0 BEADMN CCn1nccc1CNCc1ccccc1NC ZINC000902621647 584644981 /nfs/dbraw/zinc/64/49/81/584644981.db2.gz NCXRSWZEULBZPP-UHFFFAOYSA-N 0 1 244.342 2.235 20 0 BEADMN CC(C)C(N)=NOC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902727114 584661575 /nfs/dbraw/zinc/66/15/75/584661575.db2.gz SGTABNBZTQKGJU-URLYPYJESA-N 0 1 228.336 2.344 20 0 BEADMN CCCn1cc([C@H](C)NC2(C3CC3)CC2)nn1 ZINC000902916431 584691476 /nfs/dbraw/zinc/69/14/76/584691476.db2.gz QYRYFKJLUAVUSC-JTQLQIEISA-N 0 1 234.347 2.281 20 0 BEADMN CC(C)[C@@H](C(=O)OC1CCSCC1)N(C)C ZINC000873556372 584700307 /nfs/dbraw/zinc/70/03/07/584700307.db2.gz FXNCPGYUVGETNV-NSHDSACASA-N 0 1 245.388 2.011 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1ncn(C)n1 ZINC000902965299 584701890 /nfs/dbraw/zinc/70/18/90/584701890.db2.gz RUJTZNUXJBHSIO-YFKTTZPYSA-N 0 1 234.347 2.044 20 0 BEADMN CC(C)(C)c1nc(CN2CCC[C@@H](F)C2)n[nH]1 ZINC000902992208 584710735 /nfs/dbraw/zinc/71/07/35/584710735.db2.gz HZNNEOBVWCHXNH-SECBINFHSA-N 0 1 240.326 2.036 20 0 BEADMN CC1(C)CC[C@@H](CN2CCC[C@@H](F)C2)O1 ZINC000902994733 584712289 /nfs/dbraw/zinc/71/22/89/584712289.db2.gz HXWWFZZDEZVYMG-MNOVXSKESA-N 0 1 215.312 2.378 20 0 BEADMN F[C@@H]1CCCN(CCc2ccncc2)C1 ZINC000902996168 584713643 /nfs/dbraw/zinc/71/36/43/584713643.db2.gz QQHHAFGCTBQFJF-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN CCn1ncc(N[C@@H]2CCCc3cn[nH]c32)c1C ZINC000903086270 584725216 /nfs/dbraw/zinc/72/52/16/584725216.db2.gz FPTXGSQPXMYIMH-LLVKDONJSA-N 0 1 245.330 2.424 20 0 BEADMN CCCSC[C@H](C)NCc1nccn1C ZINC000903089017 584725382 /nfs/dbraw/zinc/72/53/82/584725382.db2.gz OBWFASNYRSUQJB-JTQLQIEISA-N 0 1 227.377 2.041 20 0 BEADMN c1cc(CC[NH2+][C@H]2CCCc3c[nH]nc32)sn1 ZINC000903088753 584725514 /nfs/dbraw/zinc/72/55/14/584725514.db2.gz SLDUSRHOGFPGIS-NSHDSACASA-N 0 1 248.355 2.076 20 0 BEADMN C[C@H]1C[C@H](N[C@@H]2CCO[C@H]2C2CC2)c2nccn21 ZINC000903259977 584740209 /nfs/dbraw/zinc/74/02/09/584740209.db2.gz JNSNVKNAUVUZOW-RYDUCSDGSA-N 0 1 247.342 2.046 20 0 BEADMN C[C@@H]1CC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903324248 584747214 /nfs/dbraw/zinc/74/72/14/584747214.db2.gz CXGPOTIYFLYYGY-YUSALJHKSA-N 0 1 217.316 2.316 20 0 BEADMN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1ncc[nH]1 ZINC000903351005 584755330 /nfs/dbraw/zinc/75/53/30/584755330.db2.gz HEGIRCGQESVKOU-WDEREUQCSA-N 0 1 237.347 2.408 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@H]1CCCc2scnc21 ZINC000903393801 584756695 /nfs/dbraw/zinc/75/66/95/584756695.db2.gz TWFPKQGIGQKXLG-UTLUCORTSA-N 0 1 238.356 2.145 20 0 BEADMN Cc1nc([C@@H](C)NCC[C@@H](O)C2CC2)cs1 ZINC000903404924 584758439 /nfs/dbraw/zinc/75/84/39/584758439.db2.gz ARHNZCOHKSRLOI-PRHODGIISA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ncccc1CCN[C@H](C)c1ncco1 ZINC000903417239 584760166 /nfs/dbraw/zinc/76/01/66/584760166.db2.gz CAWWFQFDWFTIRL-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1F ZINC000903401343 584760459 /nfs/dbraw/zinc/76/04/59/584760459.db2.gz JUEDIDKHZQFRSU-MRVPVSSYSA-N 0 1 243.253 2.178 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C(=O)[O-])c1F ZINC000903401344 584760627 /nfs/dbraw/zinc/76/06/27/584760627.db2.gz JUEDIDKHZQFRSU-QMMMGPOBSA-N 0 1 243.253 2.178 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1cscn1 ZINC000903439184 584762738 /nfs/dbraw/zinc/76/27/38/584762738.db2.gz ZKLIZBDQCIGQGU-JMJZKYOTSA-N 0 1 238.356 2.219 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C1CC1)c1cscn1 ZINC000903439183 584762824 /nfs/dbraw/zinc/76/28/24/584762824.db2.gz ZKLIZBDQCIGQGU-INTQDDNPSA-N 0 1 238.356 2.219 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C\Cl)n(C)n1 ZINC000903444641 584769204 /nfs/dbraw/zinc/76/92/04/584769204.db2.gz QACGGYALMMUHEN-XRVBUDJMSA-N 0 1 213.712 2.132 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2NC/C=C/Cl ZINC000903444633 584769453 /nfs/dbraw/zinc/76/94/53/584769453.db2.gz PQNFVVYQTKAYBR-YVGDHZEHSA-N 0 1 225.723 2.140 20 0 BEADMN Cc1ncncc1[C@H](C)NC/C=C/Cl ZINC000903446581 584770033 /nfs/dbraw/zinc/77/00/33/584770033.db2.gz ZBDYUIXFQSJQMC-RTMURIBGSA-N 0 1 211.696 2.188 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000903607836 584784257 /nfs/dbraw/zinc/78/42/57/584784257.db2.gz MUVHHNGLOYJSBM-CFGSLIKFSA-N 0 1 223.316 2.114 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000903607136 584784573 /nfs/dbraw/zinc/78/45/73/584784573.db2.gz HOEUUXNBXALVBW-GARJFASQSA-N 0 1 231.311 2.167 20 0 BEADMN C=C/C=C\CC[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000903608208 584785218 /nfs/dbraw/zinc/78/52/18/584785218.db2.gz HLXUVCGOSQYQLK-DOGVGXBMSA-N 0 1 223.316 2.446 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000903596463 584785991 /nfs/dbraw/zinc/78/59/91/584785991.db2.gz UXFPXUZHEOMTLA-ONGXEEELSA-N 0 1 225.288 2.211 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000903596421 584786115 /nfs/dbraw/zinc/78/61/15/584786115.db2.gz UDRIWICBHSVJJD-UWVGGRQHSA-N 0 1 201.310 2.074 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000903597055 584786134 /nfs/dbraw/zinc/78/61/34/584786134.db2.gz WRSROQFEZRRYCC-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CC34CCC(CC3)C4)C[C@@H]21 ZINC000903627803 584787533 /nfs/dbraw/zinc/78/75/33/584787533.db2.gz QCFAYOXXTBZZDM-DPWYMPPLSA-N 0 1 249.354 2.219 20 0 BEADMN CCOCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903623181 584787649 /nfs/dbraw/zinc/78/76/49/584787649.db2.gz USNWPFHSGIIBBQ-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695681 584789725 /nfs/dbraw/zinc/78/97/25/584789725.db2.gz GFUJXSNYCYIOGM-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1CF ZINC000903700652 584789987 /nfs/dbraw/zinc/78/99/87/584789987.db2.gz FYUNYIIZTYCGCX-UHFFFAOYSA-N 0 1 239.290 2.451 20 0 BEADMN CC[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695985 584790263 /nfs/dbraw/zinc/79/02/63/584790263.db2.gz OXPICAKOEZQRAW-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000903703259 584790464 /nfs/dbraw/zinc/79/04/64/584790464.db2.gz WVDYPYBPMVCWMU-DGCLKSJQSA-N 0 1 248.326 2.136 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903707167 584791371 /nfs/dbraw/zinc/79/13/71/584791371.db2.gz MZGDSKNYMWMLQY-MOWSAHLDSA-N 0 1 237.343 2.218 20 0 BEADMN C[C@]12C[N@H+]([C@H](C(=O)[O-])C3CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903707674 584791551 /nfs/dbraw/zinc/79/15/51/584791551.db2.gz QXTXDRYSJQRJID-WHRXGGIHSA-N 0 1 249.354 2.218 20 0 BEADMN CC[C@@]1(C)CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903891207 584813765 /nfs/dbraw/zinc/81/37/65/584813765.db2.gz LNOOEESUKSAGAR-LOWVWBTDSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893844 584819301 /nfs/dbraw/zinc/81/93/01/584819301.db2.gz IZTUJGJZFQNSAZ-HBNTYKKESA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903894464 584819676 /nfs/dbraw/zinc/81/96/76/584819676.db2.gz XEAUWLHDTGLOHR-LEWSCRJBSA-N 0 1 245.322 2.154 20 0 BEADMN C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC000903896232 584820092 /nfs/dbraw/zinc/82/00/92/584820092.db2.gz QKHQLTUMVPTNLX-CZXHOFHRSA-N 0 1 237.343 2.219 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])C1 ZINC000903902344 584820593 /nfs/dbraw/zinc/82/05/93/584820593.db2.gz YPWZLCCHGORRLD-HWIRSSMVSA-N 0 1 237.343 2.218 20 0 BEADMN CC1CC(C[N@@H+](CCC(=O)[O-])CC2CC2)C1 ZINC000903900963 584820732 /nfs/dbraw/zinc/82/07/32/584820732.db2.gz WOZFRUNHJIRBLU-UHFFFAOYSA-N 0 1 225.332 2.219 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])C1 ZINC000903903129 584821316 /nfs/dbraw/zinc/82/13/16/584821316.db2.gz AIXSJJSPELRYND-HBIQZDMRSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H](C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920164 584823401 /nfs/dbraw/zinc/82/34/01/584823401.db2.gz DDZATFUBOQOILI-SNVBAGLBSA-N 0 1 249.310 2.378 20 0 BEADMN CC/C=C\CC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936287 584825692 /nfs/dbraw/zinc/82/56/92/584825692.db2.gz HDSIVCYGYUCEBU-ZMQQHQCJSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@]12C[N@@H+](CC3(C(=O)[O-])CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903943533 584829327 /nfs/dbraw/zinc/82/93/27/584829327.db2.gz BVRJHGYXAOMPHM-KZVDOYCCSA-N 0 1 249.354 2.219 20 0 BEADMN CSCC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903950896 584830624 /nfs/dbraw/zinc/83/06/24/584830624.db2.gz RTCFAPJYWZIQCY-LNFKQOIKSA-N 0 1 245.388 2.169 20 0 BEADMN CSCC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903950897 584830934 /nfs/dbraw/zinc/83/09/34/584830934.db2.gz RTCFAPJYWZIQCY-VLEAKVRGSA-N 0 1 245.388 2.169 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCCF)[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952431 584831232 /nfs/dbraw/zinc/83/12/32/584831232.db2.gz XSEKNRIWJMKAFW-VPOLOUISSA-N 0 1 231.311 2.166 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(C(C)C)no1 ZINC000904080046 584840129 /nfs/dbraw/zinc/84/01/29/584840129.db2.gz WUDHAWPSXZFAJZ-VIFPVBQESA-N 0 1 211.309 2.500 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000873646299 584860232 /nfs/dbraw/zinc/86/02/32/584860232.db2.gz CMTXSDAUSYBKAH-FVCCEPFGSA-N 0 1 237.343 2.362 20 0 BEADMN CCc1noc(-c2cc3cccnc3[nH]2)n1 ZINC000904342746 584867561 /nfs/dbraw/zinc/86/75/61/584867561.db2.gz ARFIIURLOREHOO-UHFFFAOYSA-N 0 1 214.228 2.175 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@]1(C)CC1(Cl)Cl ZINC000828357192 584903579 /nfs/dbraw/zinc/90/35/79/584903579.db2.gz ACTZZTNRULGOQF-SECBINFHSA-N 0 1 248.157 2.425 20 0 BEADMN CCc1cc(CNC(=O)c2sccc2C)n[nH]1 ZINC000732793316 584941094 /nfs/dbraw/zinc/94/10/94/584941094.db2.gz PAJPFBQVPDMLNS-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(C[N@@H+](C)C2CCCC2)C1 ZINC000733290857 584945902 /nfs/dbraw/zinc/94/59/02/584945902.db2.gz CPRARZVRBXYSGB-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN CCC1(C)CCN(CN2CCCC2=O)CC1 ZINC000733299197 584946441 /nfs/dbraw/zinc/94/64/41/584946441.db2.gz YHPXEYNXCDUFGM-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CCC1(C)CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC000733297113 584946446 /nfs/dbraw/zinc/94/64/46/584946446.db2.gz KYIOWSWFRIXZEI-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN Cc1nc2ccc(NC(=O)C3=COCC3)cc2[nH]1 ZINC000734122166 584957920 /nfs/dbraw/zinc/95/79/20/584957920.db2.gz XVSRVGFJYXYOQJ-UHFFFAOYSA-N 0 1 243.266 2.114 20 0 BEADMN C[C@@H](CNC(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC000734548833 584964729 /nfs/dbraw/zinc/96/47/29/584964729.db2.gz GYPLKSIFSMXWAJ-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1cc(CNC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000735054659 584972222 /nfs/dbraw/zinc/97/22/22/584972222.db2.gz DWNDCICSAIBZIC-SREVYHEPSA-N 0 1 235.331 2.191 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)/C=C/C(C)(C)C ZINC000735125423 584973307 /nfs/dbraw/zinc/97/33/07/584973307.db2.gz KISSEUWAZJDATG-BQYQJAHWSA-N 0 1 249.358 2.369 20 0 BEADMN CC[C@H]1CCCN(Cc2nonc2C)CC1 ZINC000735310744 584975236 /nfs/dbraw/zinc/97/52/36/584975236.db2.gz DLEMUALEGVQMBE-NSHDSACASA-N 0 1 223.320 2.390 20 0 BEADMN C[C@@H](SCc1nn[nH]n1)c1cccs1 ZINC000736189948 584991160 /nfs/dbraw/zinc/99/11/60/584991160.db2.gz DGPNVEMXPIPDSN-ZCFIWIBFSA-N 0 1 226.330 2.256 20 0 BEADMN CC[C@@H](C)CO[N-]C(=O)C[N@@H+](C)CC(C)(C)C ZINC000823100803 585027876 /nfs/dbraw/zinc/02/78/76/585027876.db2.gz JIKFXLCHBJZAFB-LLVKDONJSA-N 0 1 244.379 2.058 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@H]2CCCOC2)co1 ZINC000825062026 585029102 /nfs/dbraw/zinc/02/91/02/585029102.db2.gz NJCMHJLNNVUYJH-QWRGUYRKSA-N 0 1 238.331 2.142 20 0 BEADMN C/C=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC000737819149 585038238 /nfs/dbraw/zinc/03/82/38/585038238.db2.gz OTOSHZCVKDPPOS-IHWYPQMZSA-N 0 1 201.229 2.078 20 0 BEADMN CC[C@@H](C)OC(=O)Cc1[nH]nc2ccccc21 ZINC000738628722 585049236 /nfs/dbraw/zinc/04/92/36/585049236.db2.gz HPYCEFRCEFRNHK-SECBINFHSA-N 0 1 232.283 2.447 20 0 BEADMN CCn1ncc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000838792913 585068485 /nfs/dbraw/zinc/06/84/85/585068485.db2.gz AFXPSVDKSVECKH-JTQLQIEISA-N 0 1 234.347 2.061 20 0 BEADMN Cc1cc([C@H]2CCCN2CCc2cn[nH]c2)no1 ZINC000838785178 585070122 /nfs/dbraw/zinc/07/01/22/585070122.db2.gz DCGLIVUDOCIAKS-CYBMUJFWSA-N 0 1 246.314 2.086 20 0 BEADMN CCn1ncc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000838842098 585074006 /nfs/dbraw/zinc/07/40/06/585074006.db2.gz RMJCWVYYTXVXIM-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CCCC(C)(C)CC(=O)OCc1c[nH]nn1 ZINC000838898856 585079516 /nfs/dbraw/zinc/07/95/16/585079516.db2.gz DPIPDKTUHNBWKP-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CCCCC[C@@H](C)CC(=O)OCc1c[nH]nn1 ZINC000838899641 585080173 /nfs/dbraw/zinc/08/01/73/585080173.db2.gz JKRVATKALIFFRT-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2c[nH]nn2)C1(C)C ZINC000838899856 585080181 /nfs/dbraw/zinc/08/01/81/585080181.db2.gz AWGLFCOKUYWVIK-MNOVXSKESA-N 0 1 249.314 2.086 20 0 BEADMN O=C(CCCC1CCCC1)OCc1c[nH]nn1 ZINC000838899838 585080187 /nfs/dbraw/zinc/08/01/87/585080187.db2.gz LFYXBIQNZFUVJD-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CCn1ncc(CNCCC2CCCCC2)n1 ZINC000838901991 585080331 /nfs/dbraw/zinc/08/03/31/585080331.db2.gz WTKPQQFPZCJACI-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838901256 585080538 /nfs/dbraw/zinc/08/05/38/585080538.db2.gz WBATZUUWYKPQGG-ONGXEEELSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1cc(CNCCc2cnc(C)s2)no1 ZINC000838979728 585084070 /nfs/dbraw/zinc/08/40/70/585084070.db2.gz NDQWJMXYMZNNRZ-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1cnn(CC)n1 ZINC000839099897 585090754 /nfs/dbraw/zinc/09/07/54/585090754.db2.gz LMCXUSIRLMPJRK-JQWIXIFHSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1cnn(CC)n1 ZINC000839099896 585090766 /nfs/dbraw/zinc/09/07/66/585090766.db2.gz LMCXUSIRLMPJRK-CMPLNLGQSA-N 0 1 222.336 2.061 20 0 BEADMN CCOC(=O)CC(C)(C)CN1CC[C@H](F)C1 ZINC000839122575 585092951 /nfs/dbraw/zinc/09/29/51/585092951.db2.gz NRPOLVCAZJTQCV-JTQLQIEISA-N 0 1 231.311 2.010 20 0 BEADMN CCCOC(=O)[C@@H](CC)N(CC)CC ZINC000741033640 585109527 /nfs/dbraw/zinc/10/95/27/585109527.db2.gz WZTJKJYLWYEDAJ-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CC(C)(CC(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000788159030 585116324 /nfs/dbraw/zinc/11/63/24/585116324.db2.gz TZUGFGQROQONGX-UHFFFAOYSA-N 0 1 244.298 2.111 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CC(C)C ZINC000741781969 585118493 /nfs/dbraw/zinc/11/84/93/585118493.db2.gz RYDUYQUQGITSNH-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000741782735 585118610 /nfs/dbraw/zinc/11/86/10/585118610.db2.gz YQHIGURKVHFTNH-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccc([C@@H](C)C(=O)NCc2cn[nH]c2C)o1 ZINC000742584298 585128516 /nfs/dbraw/zinc/12/85/16/585128516.db2.gz VKWRRCFMZJMICM-SECBINFHSA-N 0 1 247.298 2.039 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)c2ccc(C)o2)n[nH]1 ZINC000742675628 585129964 /nfs/dbraw/zinc/12/99/64/585129964.db2.gz NMYRISRFCRQRMU-JTQLQIEISA-N 0 1 247.298 2.039 20 0 BEADMN CC(C)CN(CN1C(=O)CC12CCC2)C1CC1 ZINC000743350205 585135604 /nfs/dbraw/zinc/13/56/04/585135604.db2.gz XKDVTTFSKYCNEZ-UHFFFAOYSA-N 0 1 236.359 2.219 20 0 BEADMN CC(C)[C@@H](C)N(C)Cn1cc[nH]c1=S ZINC000743354154 585135765 /nfs/dbraw/zinc/13/57/65/585135765.db2.gz MYRHBDKIZIJRTM-SECBINFHSA-N 0 1 213.350 2.106 20 0 BEADMN Cc1cc([C@H]2CCCN2CC2(C)COC2)no1 ZINC000743839634 585140268 /nfs/dbraw/zinc/14/02/68/585140268.db2.gz PGVBKUOIELWRBJ-GFCCVEGCSA-N 0 1 236.315 2.156 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN(C)C2CCC2)C1 ZINC000744436772 585150320 /nfs/dbraw/zinc/15/03/20/585150320.db2.gz UJASCQFPXDKXOD-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN C/C=C/C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000744746600 585152870 /nfs/dbraw/zinc/15/28/70/585152870.db2.gz UNMNGXDKEFUUNS-ONEGZZNKSA-N 0 1 229.283 2.064 20 0 BEADMN CC[C@H](C(=O)OCCCSC)N(CC)CC ZINC000745095613 585156639 /nfs/dbraw/zinc/15/66/39/585156639.db2.gz QVSLTGHAXSOVLO-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN CC(C)[C@H](C(=O)OCCC1CC1)N1CCCC1 ZINC000745090943 585156658 /nfs/dbraw/zinc/15/66/58/585156658.db2.gz XBWYRHJCROYMBS-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN CCN(CC(=O)NC)[C@@H](C)c1ccccc1C ZINC000746659346 585171956 /nfs/dbraw/zinc/17/19/56/585171956.db2.gz NWGBKSFNAMCKCX-LBPRGKRZSA-N 0 1 234.343 2.124 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CC23CCCC3)n[nH]1 ZINC000747391131 585178433 /nfs/dbraw/zinc/17/84/33/585178433.db2.gz YNYLEQFZPLIPJU-GFCCVEGCSA-N 0 1 247.342 2.169 20 0 BEADMN C[C@@H]1CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000747453156 585179013 /nfs/dbraw/zinc/17/90/13/585179013.db2.gz JFESSMJAKVLREO-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN CC(C)CN(C)CN1CC2(CCCC2)CC1=O ZINC000747454202 585179029 /nfs/dbraw/zinc/17/90/29/585179029.db2.gz KNGDMWNRVCTJBP-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC(C)N(CC(=O)Nc1ccc(O)cc1)C1CC1 ZINC000747524748 585180412 /nfs/dbraw/zinc/18/04/12/585180412.db2.gz PYGYBKWUJBKSIH-UHFFFAOYSA-N 0 1 248.326 2.204 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC[C@@H]1c1ccc[nH]1 ZINC000748814305 585196561 /nfs/dbraw/zinc/19/65/61/585196561.db2.gz YYRKBCRHSNDYST-LWMSPQMPSA-N 0 1 248.326 2.271 20 0 BEADMN CC(C)CN(C)CN1C(=O)C(C)(C)C1(C)C ZINC000749166747 585200250 /nfs/dbraw/zinc/20/02/50/585200250.db2.gz WTNGAJFRCCKYJX-UHFFFAOYSA-N 0 1 226.364 2.179 20 0 BEADMN CCCCC[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000750016437 585209671 /nfs/dbraw/zinc/20/96/71/585209671.db2.gz XSCLRPATSFYEQS-QWRGUYRKSA-N 0 1 214.353 2.022 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(C)C)s1 ZINC000750610073 585217864 /nfs/dbraw/zinc/21/78/64/585217864.db2.gz GCXXXVTUECDXJH-ZJUUUORDSA-N 0 1 240.372 2.184 20 0 BEADMN CCN(CC(=O)NC[C@@H](C)C(C)(C)C)C1CC1 ZINC000750879375 585220992 /nfs/dbraw/zinc/22/09/92/585220992.db2.gz DKSQZCWIJJMEDT-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN C/C=C(\C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000751376156 585228336 /nfs/dbraw/zinc/22/83/36/585228336.db2.gz HWUJUVDZIANMKO-XCVCLJGOSA-N 0 1 242.282 2.172 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000751927459 585239167 /nfs/dbraw/zinc/23/91/67/585239167.db2.gz YXJZPNCFXOXOPH-AGIUHOORSA-N 0 1 236.359 2.219 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000752074165 585241136 /nfs/dbraw/zinc/24/11/36/585241136.db2.gz CQWVCCPLXKENOO-TUAOUCFPSA-N 0 1 227.348 2.306 20 0 BEADMN CCC[C@H](C)CCCN1CCOC[C@H]1CCO ZINC000859217598 589020327 /nfs/dbraw/zinc/02/03/27/589020327.db2.gz RPYQAOQSHURETH-UONOGXRCSA-N 0 1 243.391 2.286 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NC1C(C)(C)C1(C)C ZINC000752729746 585249116 /nfs/dbraw/zinc/24/91/16/585249116.db2.gz UPIDSCGQALAENY-SNVBAGLBSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CNC(=O)/C=C2/CC[C@H](C)C2)n[nH]1 ZINC000753616211 585264157 /nfs/dbraw/zinc/26/41/57/585264157.db2.gz FSBYEGNQALMQNA-MKVDPYIPSA-N 0 1 233.315 2.081 20 0 BEADMN CCC(=O)CCN1CCc2ccc(O)cc2C1 ZINC000753749763 585268183 /nfs/dbraw/zinc/26/81/83/585268183.db2.gz WQFTZISIHOVYNH-UHFFFAOYSA-N 0 1 233.311 2.120 20 0 BEADMN C[C@@H]1CN(CCC(=O)C(C)(C)C)[C@H](C)[C@H](C)O1 ZINC000753770905 585268674 /nfs/dbraw/zinc/26/86/74/585268674.db2.gz SPLRELNHYRJIOH-UTUOFQBUSA-N 0 1 241.375 2.489 20 0 BEADMN C[C@@H]1CN(CCC(=O)C(C)(C)C)[C@H](C)[C@@H](C)O1 ZINC000753770902 585268769 /nfs/dbraw/zinc/26/87/69/585268769.db2.gz SPLRELNHYRJIOH-IJLUTSLNSA-N 0 1 241.375 2.489 20 0 BEADMN CC(C)C1CC(N[C@H](C)c2nnnn2C2CC2)C1 ZINC000754100077 585278363 /nfs/dbraw/zinc/27/83/63/585278363.db2.gz HCLGIXPIUSETFW-KPPDAEKUSA-N 0 1 249.362 2.093 20 0 BEADMN CCN1CCN(C(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC000754197562 585280252 /nfs/dbraw/zinc/28/02/52/585280252.db2.gz NVVDYTRXIGBYRS-KRZKBDHCSA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)(C)[C@@H]1CCN(C/C=C/Cl)C[C@H]1O ZINC000754237532 585280652 /nfs/dbraw/zinc/28/06/52/585280652.db2.gz ZNLFCIZSISNGDS-JYBZGJHDSA-N 0 1 231.767 2.468 20 0 BEADMN CC(C)(C)[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O ZINC000754237537 585280709 /nfs/dbraw/zinc/28/07/09/585280709.db2.gz ZNLFCIZSISNGDS-MRUFAENASA-N 0 1 231.767 2.468 20 0 BEADMN Cc1cc(CC(=O)OCCCC(C)C)n[nH]1 ZINC000756239278 585316165 /nfs/dbraw/zinc/31/61/65/585316165.db2.gz JYIJVPXLJXFFTF-UHFFFAOYSA-N 0 1 224.304 2.240 20 0 BEADMN CON(Cc1ccccc1)[C@H](C)c1n[nH]c(C)n1 ZINC000839546880 585330382 /nfs/dbraw/zinc/33/03/82/585330382.db2.gz NOWHPQJYHKILMN-SNVBAGLBSA-N 0 1 246.314 2.238 20 0 BEADMN CON(CC(C)(C)C)[C@H](C)c1n[nH]c(C)n1 ZINC000839602288 585331734 /nfs/dbraw/zinc/33/17/34/585331734.db2.gz ZMWUNGAEXXAZLH-MRVPVSSYSA-N 0 1 226.324 2.084 20 0 BEADMN FC[C@@H]1CN(C[C@@H]2CCc3ccccc32)CCO1 ZINC000839621320 585332435 /nfs/dbraw/zinc/33/24/35/585332435.db2.gz IRRBFMRUPWGQDX-UONOGXRCSA-N 0 1 249.329 2.387 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC(C)(C)C[C@@H]1C ZINC000839661717 585334048 /nfs/dbraw/zinc/33/40/48/585334048.db2.gz YZLVWLRRANAFJM-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)COC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000839681959 585337274 /nfs/dbraw/zinc/33/72/74/585337274.db2.gz WWLFDKXJIUKALP-ZDUSSCGKSA-N 0 1 239.359 2.308 20 0 BEADMN Clc1ncccc1CSc1cn[nH]n1 ZINC000757745458 585345042 /nfs/dbraw/zinc/34/50/42/585345042.db2.gz DRWIGULTLXGFOC-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CC[C@@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757880436 585346257 /nfs/dbraw/zinc/34/62/57/585346257.db2.gz JLMCUBIPMZMPDL-BDAKNGLRSA-N 0 1 222.288 2.171 20 0 BEADMN CC[C@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757880441 585346539 /nfs/dbraw/zinc/34/65/39/585346539.db2.gz JLMCUBIPMZMPDL-IUCAKERBSA-N 0 1 222.288 2.171 20 0 BEADMN CC[C@@H](C)COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758138357 585350685 /nfs/dbraw/zinc/35/06/85/585350685.db2.gz NQLTXVBZQHWDNP-NXEZZACHSA-N 0 1 236.315 2.419 20 0 BEADMN CC[C@@]1(C)CCN(CN2CCSC2=O)C1 ZINC000758396296 585355632 /nfs/dbraw/zinc/35/56/32/585355632.db2.gz OFAIBIZEDIDGOL-NSHDSACASA-N 0 1 228.361 2.235 20 0 BEADMN C[C@H]1CCN(CN2CCSC2=O)CC1(C)C ZINC000759001615 585363405 /nfs/dbraw/zinc/36/34/05/585363405.db2.gz XRZIUXRPTSFZPE-JTQLQIEISA-N 0 1 242.388 2.481 20 0 BEADMN C[C@@H]1CC(=O)N(CN2CC[C@@H](C)C(C)(C)C2)C1 ZINC000759000708 585363487 /nfs/dbraw/zinc/36/34/87/585363487.db2.gz REPKSQKDLZEOSC-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2)CCN1CCF ZINC000759341114 585368971 /nfs/dbraw/zinc/36/89/71/585368971.db2.gz FEVSFDBIWUIJIF-CYBMUJFWSA-N 0 1 236.334 2.162 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)CCF)C1(C)C ZINC000759341805 585369293 /nfs/dbraw/zinc/36/92/93/585369293.db2.gz FMPVTULMUKHDCZ-VHSXEESVSA-N 0 1 203.301 2.091 20 0 BEADMN CCCN(CCF)C[C@H]1CCCCO1 ZINC000759348972 585370584 /nfs/dbraw/zinc/37/05/84/585370584.db2.gz WQSBWBGDCGWFLC-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN C[C@@H](C(=O)NOCC(F)F)c1cccs1 ZINC000759350273 585371003 /nfs/dbraw/zinc/37/10/03/585371003.db2.gz ZZLUMGVGQUYSAZ-ZCFIWIBFSA-N 0 1 235.255 2.165 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@H](C)[C@H]1C ZINC000759383618 585371981 /nfs/dbraw/zinc/37/19/81/585371981.db2.gz MQBMXOXYZGGHRF-MCIONIFRSA-N 0 1 243.391 2.427 20 0 BEADMN CCO[C@@H](CN1CCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000859222886 589021569 /nfs/dbraw/zinc/02/15/69/589021569.db2.gz OHJAHRGEESMEBG-STQMWFEESA-N 0 1 249.358 2.362 20 0 BEADMN Cc1cc2c(ncnc2NCCN2CCC2)s1 ZINC000761233895 585412811 /nfs/dbraw/zinc/41/28/11/585412811.db2.gz GGWZRMWQCFWVLR-UHFFFAOYSA-N 0 1 248.355 2.117 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](CC(C)C)C2)n1 ZINC000761885557 585422505 /nfs/dbraw/zinc/42/25/05/585422505.db2.gz DMPQPWCSBZVUAV-LBPRGKRZSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](CC(C)C)C2)n1 ZINC000761885557 585422506 /nfs/dbraw/zinc/42/25/06/585422506.db2.gz DMPQPWCSBZVUAV-LBPRGKRZSA-N 0 1 249.358 2.359 20 0 BEADMN OCC[C@@H]1COCCN1CCCC1CCCC1 ZINC000762335815 585431193 /nfs/dbraw/zinc/43/11/93/585431193.db2.gz YVEJFXSBMLAOKK-CQSZACIVSA-N 0 1 241.375 2.040 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2ccoc2)n[nH]1 ZINC000762627503 585434562 /nfs/dbraw/zinc/43/45/62/585434562.db2.gz JYKRTZXDXFDWGP-SECBINFHSA-N 0 1 234.303 2.372 20 0 BEADMN CN(C)C1(C(=O)N2CCc3ccccc32)CCC1 ZINC000762971273 585440305 /nfs/dbraw/zinc/44/03/05/585440305.db2.gz HAJDXZJNZUHZES-UHFFFAOYSA-N 0 1 244.338 2.060 20 0 BEADMN Cc1cccc(C(=O)Nc2c[nH]nn2)c1Cl ZINC000763191384 585444317 /nfs/dbraw/zinc/44/43/17/585444317.db2.gz AWAKIFWPDTWOIQ-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CC(C)N1CCN(C/C(Cl)=C/Cl)CC1 ZINC000763491323 585448801 /nfs/dbraw/zinc/44/88/01/585448801.db2.gz XKMYHUCWPNBDNM-YFHOEESVSA-N 0 1 237.174 2.331 20 0 BEADMN Cl/C=C(/Cl)CN1CCN(CC2CC2)CC1 ZINC000763496989 585449086 /nfs/dbraw/zinc/44/90/86/585449086.db2.gz XXMXQNGNSKFBGK-YRNVUSSQSA-N 0 1 249.185 2.333 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)CCF)C12CCC2 ZINC000763701929 585452964 /nfs/dbraw/zinc/45/29/64/585452964.db2.gz PDYQNDGKCGFWAE-GHMZBOCLSA-N 0 1 215.312 2.235 20 0 BEADMN CCO[C@H]1C[C@H](N(C)CCF)C12CCC2 ZINC000763701936 585453062 /nfs/dbraw/zinc/45/30/62/585453062.db2.gz PDYQNDGKCGFWAE-QWRGUYRKSA-N 0 1 215.312 2.235 20 0 BEADMN C[C@@H](C(=O)OCC1CC1)N1[C@H](C)CC[C@@H]1C ZINC000763983507 585458166 /nfs/dbraw/zinc/45/81/66/585458166.db2.gz WWRQBASUSUJYPH-AXFHLTTASA-N 0 1 225.332 2.201 20 0 BEADMN CCN(CC(=O)NC)[C@@H](C)c1cccc(C)c1 ZINC000764205446 585461644 /nfs/dbraw/zinc/46/16/44/585461644.db2.gz UQLPYPLNVDBIOB-LBPRGKRZSA-N 0 1 234.343 2.124 20 0 BEADMN COc1ccc(CNCc2ccnn2C)c(C)c1 ZINC000765259536 585483226 /nfs/dbraw/zinc/48/32/26/585483226.db2.gz GHMOVOGRSQDMIX-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCc1nc(COC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC000765542935 585489305 /nfs/dbraw/zinc/48/93/05/585489305.db2.gz LMINNGOZLRXVRV-SECBINFHSA-N 0 1 239.319 2.093 20 0 BEADMN CC/C=C(/C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000765939849 585493833 /nfs/dbraw/zinc/49/38/33/585493833.db2.gz JXUCHPQFLGBHCA-ZBNJQPBLSA-N 0 1 238.375 2.284 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C(C)=C(C)C)C[C@@H]1C ZINC000765929113 585494074 /nfs/dbraw/zinc/49/40/74/585494074.db2.gz KCNZDQOXDFKMPY-RYUDHWBXSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@H](C(=O)OC1CCC1)N(CC)CC ZINC000765966730 585494786 /nfs/dbraw/zinc/49/47/86/585494786.db2.gz YBHWPOISCRFDHL-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CC[C@H](C(=O)OCCCF)N(CC)CC ZINC000767349830 585517068 /nfs/dbraw/zinc/51/70/68/585517068.db2.gz PENQSPWWBHMQSF-SNVBAGLBSA-N 0 1 219.300 2.010 20 0 BEADMN Cc1occc1C[N@@H+](C)CCC(=O)C1CC1 ZINC000767364864 585517709 /nfs/dbraw/zinc/51/77/09/585517709.db2.gz VIXVDFITISKNKS-UHFFFAOYSA-N 0 1 221.300 2.389 20 0 BEADMN Cc1occc1CN(C)CCC(=O)C1CC1 ZINC000767364864 585517710 /nfs/dbraw/zinc/51/77/10/585517710.db2.gz VIXVDFITISKNKS-UHFFFAOYSA-N 0 1 221.300 2.389 20 0 BEADMN CCOC(C[N@@H+]1CC=C(C)CC1)OCC ZINC000767810539 585526455 /nfs/dbraw/zinc/52/64/55/585526455.db2.gz FVCJVMSJQDHAFZ-UHFFFAOYSA-N 0 1 213.321 2.038 20 0 BEADMN C[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000300751143 585526966 /nfs/dbraw/zinc/52/69/66/585526966.db2.gz LDWKBIYPTZRSRK-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cc(CNC(=O)C(C)(CC)CC)n[nH]1 ZINC000768107675 585531959 /nfs/dbraw/zinc/53/19/59/585531959.db2.gz DBVSYYRZYHWWLD-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C/Cl)[C@@H](C)CN1C ZINC000768773490 585542670 /nfs/dbraw/zinc/54/26/70/585542670.db2.gz VLYBWVGMEMHUJT-RYUFRBRESA-N 0 1 237.174 2.330 20 0 BEADMN CCC(=CC(=O)N1C[C@H](C)N(C)C[C@@H]1C)CC ZINC000768845930 585544578 /nfs/dbraw/zinc/54/45/78/585544578.db2.gz KBGUEWSKIOHDIE-RYUDHWBXSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C=C1CCCC1 ZINC000768845988 585544626 /nfs/dbraw/zinc/54/46/26/585544626.db2.gz AOVHDTAZRJMIIH-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CCC(=CC(=O)N1C[C@H](C)N(C)C[C@H]1C)CC ZINC000768845929 585544739 /nfs/dbraw/zinc/54/47/39/585544739.db2.gz KBGUEWSKIOHDIE-NWDGAFQWSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1CN(C(=O)C=C2CCCC2)[C@H](C)CN1C ZINC000768845990 585544749 /nfs/dbraw/zinc/54/47/49/585544749.db2.gz AOVHDTAZRJMIIH-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN CCN1CCN(Cc2coc(C3CC3)n2)C[C@@H]1C ZINC000769380521 585554997 /nfs/dbraw/zinc/55/49/97/585554997.db2.gz JLSBHLZAHAWDTD-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN CN(Cc1cn[nH]c1)Cc1ccc2c(c1)COC2 ZINC000769426747 585556146 /nfs/dbraw/zinc/55/61/46/585556146.db2.gz WFLYJLGLNOJBHV-UHFFFAOYSA-N 0 1 243.310 2.072 20 0 BEADMN Cc1cc(CNC(=O)[C@H](F)c2ccccc2)n[nH]1 ZINC000769578879 585559768 /nfs/dbraw/zinc/55/97/68/585559768.db2.gz OWGVCINJIVKOHT-GFCCVEGCSA-N 0 1 247.273 2.045 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000769578949 585560155 /nfs/dbraw/zinc/56/01/55/585560155.db2.gz PSXHDKBYMNKHQF-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN Cn1ccnc1[C@H]1CCCN(C/C=C\Cl)C1 ZINC000770025083 585569878 /nfs/dbraw/zinc/56/98/78/585569878.db2.gz FGBUONIYSRQSAQ-MZBZXASESA-N 0 1 239.750 2.352 20 0 BEADMN CCc1nsc(Nc2cnn(C)c2C2CC2)n1 ZINC000770127980 585571024 /nfs/dbraw/zinc/57/10/24/585571024.db2.gz WAIACNPQDHCOKQ-UHFFFAOYSA-N 0 1 249.343 2.455 20 0 BEADMN CCc1ccccc1C(=O)OCc1n[nH]c(C)n1 ZINC000770640724 585578765 /nfs/dbraw/zinc/57/87/65/585578765.db2.gz TZVSXTQGPPQKKE-UHFFFAOYSA-N 0 1 245.282 2.033 20 0 BEADMN CCc1cc(CNc2nc(C3CC3)ns2)n[nH]1 ZINC000771204487 585591538 /nfs/dbraw/zinc/59/15/38/585591538.db2.gz NJUGOXTZXBBROI-UHFFFAOYSA-N 0 1 249.343 2.313 20 0 BEADMN CCc1cc(CN[C@H](C)c2cccnc2)n[nH]1 ZINC000771387283 585593533 /nfs/dbraw/zinc/59/35/33/585593533.db2.gz CGMDGSHGMUKTEK-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN CCc1cc(CN[C@H](C)c2cccnc2)[nH]n1 ZINC000771387283 585593534 /nfs/dbraw/zinc/59/35/34/585593534.db2.gz CGMDGSHGMUKTEK-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN CCC(=CC(=O)N1CCN(C)[C@@H](C)[C@H]1C)CC ZINC000771402054 585593743 /nfs/dbraw/zinc/59/37/43/585593743.db2.gz FORWQCNGSVKYGV-NWDGAFQWSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C=C1CCCC1 ZINC000771396645 585593873 /nfs/dbraw/zinc/59/38/73/585593873.db2.gz ODFDWQLPJWARIK-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CCc1ccccc1CN1CC(O)(C(C)C)C1 ZINC000773889805 585645765 /nfs/dbraw/zinc/64/57/65/585645765.db2.gz AVHZLESGEYPMRP-UHFFFAOYSA-N 0 1 233.355 2.452 20 0 BEADMN CC(C)CSCCCN1CC(O)(C(C)C)C1 ZINC000773893612 585645994 /nfs/dbraw/zinc/64/59/94/585645994.db2.gz ADJSRAADCVNJAS-UHFFFAOYSA-N 0 1 245.432 2.468 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000774193907 585653291 /nfs/dbraw/zinc/65/32/91/585653291.db2.gz RAWCVRUODORLDT-VURMDHGXSA-N 0 1 237.303 2.149 20 0 BEADMN CC(C)C(N)=NOCCCOC(C)(C)C ZINC000774779588 585665806 /nfs/dbraw/zinc/66/58/06/585665806.db2.gz VSILATSJHJHIFD-UHFFFAOYSA-N 0 1 216.325 2.346 20 0 BEADMN CN(Cc1ccc[nH]1)C[C@H]1CCC=CO1 ZINC000774907472 585669086 /nfs/dbraw/zinc/66/90/86/585669086.db2.gz BWNGVMMJFYDIBD-GFCCVEGCSA-N 0 1 206.289 2.139 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CCC=CO2)C[C@H]1F ZINC000775056411 585671157 /nfs/dbraw/zinc/67/11/57/585671157.db2.gz HWSOTHZQXVDZLI-IJLUTSLNSA-N 0 1 213.296 2.359 20 0 BEADMN c1ccc(C2(NCC[NH+]3CCCC3)CC2)cc1 ZINC000775332055 585676008 /nfs/dbraw/zinc/67/60/08/585676008.db2.gz BCBUAXUAFNJBBT-UHFFFAOYSA-N 0 1 230.355 2.361 20 0 BEADMN CC(C)COC(=O)CN1CCCC[C@H](C)C1 ZINC000775732200 585683639 /nfs/dbraw/zinc/68/36/39/585683639.db2.gz PZBCLAOVZRASFU-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)OCC(C)C ZINC000776580378 585700839 /nfs/dbraw/zinc/70/08/39/585700839.db2.gz YCOYFBXOQKGZPN-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1CC(=O)OCC(C)C ZINC000776596880 585702196 /nfs/dbraw/zinc/70/21/96/585702196.db2.gz ABCQMWBUSLGINA-NWDGAFQWSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](NCCOC1CCC1)c1nccn1C ZINC000777121656 585708661 /nfs/dbraw/zinc/70/86/61/585708661.db2.gz OXTYWBLFRRPQMS-LBPRGKRZSA-N 0 1 237.347 2.030 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596560 585716436 /nfs/dbraw/zinc/71/64/36/585716436.db2.gz SHJLOHZKNDWKSL-CYBMUJFWSA-N 0 1 223.291 2.377 20 0 BEADMN CCC(N)=NOCc1ccc2c(c1)COC2 ZINC000778027444 585725123 /nfs/dbraw/zinc/72/51/23/585725123.db2.gz QXEUGWOZXSMINK-UHFFFAOYSA-N 0 1 220.272 2.125 20 0 BEADMN C[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1F ZINC000778238602 585728711 /nfs/dbraw/zinc/72/87/11/585728711.db2.gz UDDHRRQHEZFDAX-KWCYVHTRSA-N 0 1 237.318 2.400 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cccc(Cl)n2)C1 ZINC000778398242 585733520 /nfs/dbraw/zinc/73/35/20/585733520.db2.gz DOUBXMLZONGNPV-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H]1CC[C@@](CO)(N(C)Cc2cscn2)C1 ZINC000778426800 585734706 /nfs/dbraw/zinc/73/47/06/585734706.db2.gz BUHYZDIJMLYXNA-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN CC[C@@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000805611139 585738048 /nfs/dbraw/zinc/73/80/48/585738048.db2.gz NLKGXKQSLMIZNK-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN c1nn2ccccc2c1CN1CC=CCC1 ZINC000779162016 585746476 /nfs/dbraw/zinc/74/64/76/585746476.db2.gz ISNPZIZEOWPIKW-UHFFFAOYSA-N 0 1 213.284 2.096 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1ccc(F)nc1 ZINC000779169314 585746671 /nfs/dbraw/zinc/74/66/71/585746671.db2.gz ZXDNAZQXBNGOSO-NSHDSACASA-N 0 1 208.280 2.451 20 0 BEADMN COC(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC000781885741 585804598 /nfs/dbraw/zinc/80/45/98/585804598.db2.gz VBKBROWZOBLWOV-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CC(C)N1C(=O)C[N@H+]([C@H](C)C2CC2)CC1(C)C ZINC000782182260 585809696 /nfs/dbraw/zinc/80/96/96/585809696.db2.gz XRTBSMMMESOHSR-LLVKDONJSA-N 0 1 238.375 2.116 20 0 BEADMN O=C(CCCCc1cn[nH]n1)O[C@H]1C=CCCC1 ZINC000782314255 585814868 /nfs/dbraw/zinc/81/48/68/585814868.db2.gz KCHCQCBVJBGLGX-LBPRGKRZSA-N 0 1 249.314 2.169 20 0 BEADMN C[C@@H]1CN(CCCc2ccsc2)CC[N@@H+]1C ZINC000782958327 585826526 /nfs/dbraw/zinc/82/65/26/585826526.db2.gz DWDAWWKIJRPJTB-GFCCVEGCSA-N 0 1 238.400 2.317 20 0 BEADMN CCCC(N)=NOCCCSCCOC ZINC000783025953 585826997 /nfs/dbraw/zinc/82/69/97/585826997.db2.gz CLRGPEVLRQNWJA-UHFFFAOYSA-N 0 1 234.365 2.055 20 0 BEADMN CCCC(N)=NOC[C@H]1CCO[C@@H](C)C1 ZINC000783025950 585827133 /nfs/dbraw/zinc/82/71/33/585827133.db2.gz CLGZBTSTUWWGQR-UWVGGRQHSA-N 0 1 214.309 2.100 20 0 BEADMN Cc1ccc(-c2cc(C(=O)OC3CC3)[nH]n2)o1 ZINC000783198349 585830184 /nfs/dbraw/zinc/83/01/84/585830184.db2.gz KZFIKOUKSQOWHC-UHFFFAOYSA-N 0 1 232.239 2.297 20 0 BEADMN C[C@H]1C[C@@H](c2cccnc2)N(CCF)C1 ZINC000805750355 585840308 /nfs/dbraw/zinc/84/03/08/585840308.db2.gz JDYXXHPJGNDRJG-JQWIXIFHSA-N 0 1 208.280 2.434 20 0 BEADMN Cc1nonc1CN1CC[C@H](C(C)(C)C)C1 ZINC000784520005 585862084 /nfs/dbraw/zinc/86/20/84/585862084.db2.gz ZZHAQLAUMXCZHQ-JTQLQIEISA-N 0 1 223.320 2.246 20 0 BEADMN CCCC=CC(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000785421860 585873236 /nfs/dbraw/zinc/87/32/36/585873236.db2.gz VQZPZDVVMQBOBV-FGEFZZPRSA-N 0 1 221.304 2.333 20 0 BEADMN CCc1cc(CNCc2ccc(F)nc2C)[nH]n1 ZINC000785468990 585874267 /nfs/dbraw/zinc/87/42/67/585874267.db2.gz PGHIFJAHMRMQCI-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN CCC(=O)[C@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000785589619 585876259 /nfs/dbraw/zinc/87/62/59/585876259.db2.gz IPKYROMUKCRWOO-QMMMGPOBSA-N 0 1 246.266 2.087 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OC/C=C/Cl ZINC000785736717 585879208 /nfs/dbraw/zinc/87/92/08/585879208.db2.gz QIYKGVONORRYTH-QESSNTJESA-N 0 1 231.723 2.155 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC1CCC1 ZINC000785740754 585879337 /nfs/dbraw/zinc/87/93/37/585879337.db2.gz KJPHEELXQXIKTL-GHMZBOCLSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)COC(=O)CN(C)C1(C)CCCC1 ZINC000786219120 585888631 /nfs/dbraw/zinc/88/86/31/585888631.db2.gz RFTCMHBQGMGIPT-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OCC1CC1 ZINC000786340053 585889927 /nfs/dbraw/zinc/88/99/27/585889927.db2.gz MXJVOEPQOYHQIM-UHFFFAOYSA-N 0 1 222.288 2.408 20 0 BEADMN FC(F)COCCN1CC[C@H](C(F)(F)F)C1 ZINC000787271979 585904173 /nfs/dbraw/zinc/90/41/73/585904173.db2.gz PFHGQJUBIHGCTJ-ZETCQYMHSA-N 0 1 247.207 2.152 20 0 BEADMN CN(C)Cc1ccc(NC(=O)C(F)F)cc1F ZINC000787411562 585908979 /nfs/dbraw/zinc/90/89/79/585908979.db2.gz ACZKQVWHDWCZHN-UHFFFAOYSA-N 0 1 246.232 2.091 20 0 BEADMN CC[C@@H](C)[C@H](NC(=O)C(F)F)C(F)(F)F ZINC000787582752 585912413 /nfs/dbraw/zinc/91/24/13/585912413.db2.gz VJAPKLGJKVUQAF-UHNVWZDZSA-N 0 1 233.180 2.345 20 0 BEADMN CC[C@@H](C(=O)OCC1(F)CC1)N(CC)CC ZINC000789586280 585944815 /nfs/dbraw/zinc/94/48/15/585944815.db2.gz WFTAETYBMOIGKV-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cn[nH]c1C1CC1 ZINC000789904738 585952726 /nfs/dbraw/zinc/95/27/26/585952726.db2.gz MEUCUFQDLZOQEI-MRVPVSSYSA-N 0 1 237.303 2.089 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000789927065 585953763 /nfs/dbraw/zinc/95/37/63/585953763.db2.gz OWXCNFVJRJMFHG-HBNTYKKESA-N 0 1 248.330 2.350 20 0 BEADMN CC(C)(C)C1CCN(NC2=CC(=O)CN2)CC1 ZINC000790178533 585959553 /nfs/dbraw/zinc/95/95/53/585959553.db2.gz AJJKYOGZOQEEGL-UHFFFAOYSA-N 0 1 237.347 2.103 20 0 BEADMN Cc1ccnc(CON=C(N)C(C)C)c1 ZINC000790506694 585965802 /nfs/dbraw/zinc/96/58/02/585965802.db2.gz JFAYXICQJRRJRD-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN CC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791057589 585973689 /nfs/dbraw/zinc/97/36/89/585973689.db2.gz YQWFYTWKMKAQSD-ONEGZZNKSA-N 0 1 215.256 2.386 20 0 BEADMN C[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1F ZINC000791493586 585982105 /nfs/dbraw/zinc/98/21/05/585982105.db2.gz UDDHRRQHEZFDAX-IACUBPJLSA-N 0 1 237.318 2.400 20 0 BEADMN C/C=C\COC(=O)c1ccc2cncn2c1 ZINC000792548463 586002372 /nfs/dbraw/zinc/00/23/72/586002372.db2.gz BUIFIGPDSVVMDR-IHWYPQMZSA-N 0 1 216.240 2.067 20 0 BEADMN CO[C@H](CNCc1cnccc1C)C(F)(F)F ZINC000792975196 586007816 /nfs/dbraw/zinc/00/78/16/586007816.db2.gz UBQLKHHXGUPCFP-SNVBAGLBSA-N 0 1 248.248 2.057 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)c1ccc2cncn2c1 ZINC000793126722 586011290 /nfs/dbraw/zinc/01/12/90/586011290.db2.gz OUOUCFWVXSRCSJ-KOLCDFICSA-N 0 1 230.267 2.147 20 0 BEADMN CCC/C(C)=C/C(=O)NCCN1CC=CCC1 ZINC000794120295 586032682 /nfs/dbraw/zinc/03/26/82/586032682.db2.gz ZVBBJXWFGBFRHQ-OUKQBFOZSA-N 0 1 236.359 2.111 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000859294449 589028272 /nfs/dbraw/zinc/02/82/72/589028272.db2.gz TZCJTEWPVSMUMC-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(F)c2)[C@H](C)C1 ZINC000859294452 589028424 /nfs/dbraw/zinc/02/84/24/589028424.db2.gz TZCJTEWPVSMUMC-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H](C)C(C)C)n1 ZINC000795411462 586078198 /nfs/dbraw/zinc/07/81/98/586078198.db2.gz DXCHTDZUGHKZOF-SECBINFHSA-N 0 1 239.319 2.263 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H](C)C(C)C)n[nH]1 ZINC000795411462 586078199 /nfs/dbraw/zinc/07/81/99/586078199.db2.gz DXCHTDZUGHKZOF-SECBINFHSA-N 0 1 239.319 2.263 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CC2CCC2)n1 ZINC000795440617 586079163 /nfs/dbraw/zinc/07/91/63/586079163.db2.gz XUUMZOABSKODKJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)CC2CCC2)n[nH]1 ZINC000795440617 586079165 /nfs/dbraw/zinc/07/91/65/586079165.db2.gz XUUMZOABSKODKJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)=C(C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795459284 586079741 /nfs/dbraw/zinc/07/97/41/586079741.db2.gz UKIZUJWSVOVHTA-UHFFFAOYSA-N 0 1 237.303 2.328 20 0 BEADMN CC(C)=C(C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795459284 586079743 /nfs/dbraw/zinc/07/97/43/586079743.db2.gz UKIZUJWSVOVHTA-UHFFFAOYSA-N 0 1 237.303 2.328 20 0 BEADMN c1csc(CCN2CCc3nc[nH]c3C2)c1 ZINC000859307824 589029506 /nfs/dbraw/zinc/02/95/06/589029506.db2.gz AEFWCCCABOPPLG-UHFFFAOYSA-N 0 1 233.340 2.072 20 0 BEADMN CC(C)N(Cc1ccnc(F)c1)[C@@H]1CCOC1 ZINC000859311198 589029640 /nfs/dbraw/zinc/02/96/40/589029640.db2.gz TZGTXZPYMRQZJA-GFCCVEGCSA-N 0 1 238.306 2.220 20 0 BEADMN CN(CCCCCF)[C@H]1CC(C)(C)OC1=O ZINC000795652859 586090234 /nfs/dbraw/zinc/09/02/34/586090234.db2.gz ONOVOXJJTVMOOY-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN CCCCCN(C)[C@H]1CC(C)(C)OC1=O ZINC000795661390 586090436 /nfs/dbraw/zinc/09/04/36/586090436.db2.gz QMEQVBZPTUXCBH-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)CCCN(C)[C@H]1CC(C)(C)OC1=O ZINC000795682570 586091176 /nfs/dbraw/zinc/09/11/76/586091176.db2.gz BONJVNPQRMNHOQ-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CCN1CCN(C/C(Cl)=C\Cl)[C@H](C)C1 ZINC000796316257 586100256 /nfs/dbraw/zinc/10/02/56/586100256.db2.gz NIEALUKDKWLAIV-ZFZMKPAXSA-N 0 1 237.174 2.331 20 0 BEADMN CCC(=O)CCN1CCC(F)(F)CC1 ZINC000796539144 586106442 /nfs/dbraw/zinc/10/64/42/586106442.db2.gz UMHSCZXZHNHNMB-UHFFFAOYSA-N 0 1 205.248 2.087 20 0 BEADMN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1nnnn1C1CC1 ZINC000796967689 586118177 /nfs/dbraw/zinc/11/81/77/586118177.db2.gz YEPSQLDMNZCGNU-WCQGTBRESA-N 0 1 249.362 2.093 20 0 BEADMN CCC/C(C)=C\C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000797757186 586130898 /nfs/dbraw/zinc/13/08/98/586130898.db2.gz HMMFNORJSHKXDM-NTMALXAHSA-N 0 1 248.330 2.047 20 0 BEADMN CCCCCC(C)(C)C(=O)Nc1c[nH]nn1 ZINC000798128196 586137660 /nfs/dbraw/zinc/13/76/60/586137660.db2.gz RYIJLOVSRNIAFW-UHFFFAOYSA-N 0 1 224.308 2.350 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC[S@@](C)=O ZINC000798193259 586139361 /nfs/dbraw/zinc/13/93/61/586139361.db2.gz IZCCGFKAXIGNSR-XHDPSFHLSA-N 0 1 225.357 2.058 20 0 BEADMN C[C@@H]1CN(CC[S@](C)=O)[C@@H]1c1ccccc1 ZINC000798198063 586140492 /nfs/dbraw/zinc/14/04/92/586140492.db2.gz VTCOQTNLBGDMPG-FFSVYQOJSA-N 0 1 237.368 2.058 20 0 BEADMN CC/C=C\CCOC(=O)[C@H](C(C)C)N(C)C ZINC000798817761 586150331 /nfs/dbraw/zinc/15/03/31/586150331.db2.gz AEKGSHPFZLVKEM-KRZKBDHCSA-N 0 1 227.348 2.472 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1CC=CCC1)N(C)C ZINC000798824313 586150726 /nfs/dbraw/zinc/15/07/26/586150726.db2.gz GLIJHPDDESYQLD-QWHCGFSZSA-N 0 1 239.359 2.472 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CC=CC1)N(C)C ZINC000798841318 586150960 /nfs/dbraw/zinc/15/09/60/586150960.db2.gz LUGGWICOEPJTCM-GFCCVEGCSA-N 0 1 225.332 2.082 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H](C)C1CC1)N(C)C ZINC000798863549 586151887 /nfs/dbraw/zinc/15/18/87/586151887.db2.gz GXYODEHWUXVVFI-CMPLNLGQSA-N 0 1 227.348 2.162 20 0 BEADMN CC(C)[C@H](C(=O)OCC1=CCCC1)N(C)C ZINC000798864745 586152033 /nfs/dbraw/zinc/15/20/33/586152033.db2.gz WFYVMSQYLDMRBI-GFCCVEGCSA-N 0 1 225.332 2.226 20 0 BEADMN CCS(=O)(=O)CCN(C)C[C@H](C)CC(C)C ZINC000799145618 586161843 /nfs/dbraw/zinc/16/18/43/586161843.db2.gz FGMWWMVUSGVXNB-GFCCVEGCSA-N 0 1 249.420 2.035 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC000859339601 589032762 /nfs/dbraw/zinc/03/27/62/589032762.db2.gz GYSFKFKYVFCYFC-GFCCVEGCSA-N 0 1 247.342 2.169 20 0 BEADMN C[C@@H]1CCN(Cc2ccnc(F)c2)C[C@H](C)O1 ZINC000859352198 589032903 /nfs/dbraw/zinc/03/29/03/589032903.db2.gz QODWETVJLRHRGY-MNOVXSKESA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)nc2)[C@H](C)C1 ZINC000799736236 586195264 /nfs/dbraw/zinc/19/52/64/586195264.db2.gz JCVTWUZMHKHHCT-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)COCCN1CCC(F)(F)CC1 ZINC000800384057 586214529 /nfs/dbraw/zinc/21/45/29/586214529.db2.gz NUJPRIZYMKUICG-UHFFFAOYSA-N 0 1 221.291 2.390 20 0 BEADMN CCN1C(=O)N=NC1SCCSC(C)C ZINC000800830880 586233329 /nfs/dbraw/zinc/23/33/29/586233329.db2.gz FRSLRYTVQHTOPR-UHFFFAOYSA-N 0 1 247.389 2.237 20 0 BEADMN Cn1ncc(CN2CC(C)(C)CCC2(C)C)n1 ZINC000859473939 589039998 /nfs/dbraw/zinc/03/99/98/589039998.db2.gz KTSHKNRTRNYDSG-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN CCCCN(CN1C[C@H](C)[C@@H](C)C1=O)C1CC1 ZINC000839957451 586294845 /nfs/dbraw/zinc/29/48/45/586294845.db2.gz CGSACSSDFGRTIK-NWDGAFQWSA-N 0 1 238.375 2.323 20 0 BEADMN CCCCN(CC)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839958439 586296328 /nfs/dbraw/zinc/29/63/28/586296328.db2.gz JSSZHQLGLOLTBY-VXGBXAGGSA-N 0 1 226.364 2.180 20 0 BEADMN CCCCN(CN1C(=O)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000839959300 586300928 /nfs/dbraw/zinc/30/09/28/586300928.db2.gz KQKACJCSNWIJFY-OLZOCXBDSA-N 0 1 236.359 2.219 20 0 BEADMN CC[C@@]1(C)CN(CCC(=O)C(C)C)CCO1 ZINC000808749580 586305021 /nfs/dbraw/zinc/30/50/21/586305021.db2.gz BCLNXTGAFGLFFX-ZDUSSCGKSA-N 0 1 227.348 2.103 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)Cc1[nH]nc2ccccc21 ZINC000859520259 589042429 /nfs/dbraw/zinc/04/24/29/589042429.db2.gz HOPCMJNFWYICEM-ZJUUUORDSA-N 0 1 244.294 2.305 20 0 BEADMN C[C@@H]1CN(CN2CCC(C)(C)CC2)C(=O)[C@H]1C ZINC000839987897 586331795 /nfs/dbraw/zinc/33/17/95/586331795.db2.gz SKBFQFGQWMXCDU-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN CCN(CN1C[C@@H]2CCC[C@@H]2C1=O)C1CCC1 ZINC000840000594 586352909 /nfs/dbraw/zinc/35/29/09/586352909.db2.gz PWYJDLSZBNORFA-AAEUAGOBSA-N 0 1 236.359 2.077 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccc(C)cc2)n[nH]1 ZINC000840005202 586364737 /nfs/dbraw/zinc/36/47/37/586364737.db2.gz RDDWFXPLFCQSAU-VIFPVBQESA-N 0 1 245.282 2.340 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccc(C)cc2)n[nH]1 ZINC000840005200 586365047 /nfs/dbraw/zinc/36/50/47/586365047.db2.gz RDDWFXPLFCQSAU-SECBINFHSA-N 0 1 245.282 2.340 20 0 BEADMN CN(CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1)C1CCC1 ZINC000840009239 586366453 /nfs/dbraw/zinc/36/64/53/586366453.db2.gz AFPALLUAHIRYKI-UONOGXRCSA-N 0 1 248.370 2.075 20 0 BEADMN CCN(CCC1CC1)CN1C[C@H](C)[C@H](C)C1=O ZINC000840046717 586397049 /nfs/dbraw/zinc/39/70/49/586397049.db2.gz CKCQUASXVOFJCN-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000859663027 589052999 /nfs/dbraw/zinc/05/29/99/589052999.db2.gz IEYGRNZSMUALGQ-WISYIIOYSA-N 0 1 225.332 2.058 20 0 BEADMN C[C@@H]1CCN(CN2CCC3(CCC3)CC2)C1=O ZINC000840070969 586417127 /nfs/dbraw/zinc/41/71/27/586417127.db2.gz JTPJTBPOPMSOHD-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1[C@@H]2CCC[C@@H]2N1CN1CCC2(CCC2)CC1 ZINC000840070830 586417290 /nfs/dbraw/zinc/41/72/90/586417290.db2.gz HDBZXNAUBMUQBV-OLZOCXBDSA-N 0 1 248.370 2.221 20 0 BEADMN CC/C=C(/C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840077335 586419038 /nfs/dbraw/zinc/41/90/38/586419038.db2.gz HKRLHBGIMPLNLY-UAPHAKCISA-N 0 1 223.276 2.074 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC(C)CC2)C1 ZINC000808133113 586464261 /nfs/dbraw/zinc/46/42/61/586464261.db2.gz AMAVSEGXVYYGAZ-CQSZACIVSA-N 0 1 238.375 2.324 20 0 BEADMN O=C1SCCN1CN1CCC[C@@H](C2CC2)C1 ZINC000808228902 586467976 /nfs/dbraw/zinc/46/79/76/586467976.db2.gz XUHXEIAUBACWQG-LLVKDONJSA-N 0 1 240.372 2.235 20 0 BEADMN CCC(N)=NOCC[C@H](O)c1ccccc1 ZINC000808252402 586468901 /nfs/dbraw/zinc/46/89/01/586468901.db2.gz JBZKVJXLGVGWFE-NSHDSACASA-N 0 1 222.288 2.019 20 0 BEADMN CC(C)=CCON=C(N)CN1CCCC[C@@H]1C ZINC000808257637 586469055 /nfs/dbraw/zinc/46/90/55/586469055.db2.gz STFSUZNDTUGVHT-LBPRGKRZSA-N 0 1 239.363 2.325 20 0 BEADMN Cc1ccc(CNCc2cn(C)cn2)c(C)c1 ZINC000808382336 586470321 /nfs/dbraw/zinc/47/03/21/586470321.db2.gz XDSMPUICFJTWNP-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN CC(C)C(=O)CCN1CC[C@H](C)[C@H](F)C1 ZINC000808744910 586486872 /nfs/dbraw/zinc/48/68/72/586486872.db2.gz FGAGFMBOPMCVTG-WDEREUQCSA-N 0 1 215.312 2.282 20 0 BEADMN Cc1nonc1CNC[C@H]1C[C@@H]1c1ccccc1 ZINC000809743713 586516115 /nfs/dbraw/zinc/51/61/15/586516115.db2.gz BBJHRNPTVBOUPY-CHWSQXEVSA-N 0 1 243.310 2.271 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1ccccc1F ZINC000809744342 586516569 /nfs/dbraw/zinc/51/65/69/586516569.db2.gz GZZDZQVIUAGAEX-VIFPVBQESA-N 0 1 249.289 2.238 20 0 BEADMN O[C@@H](CCNCc1nccs1)c1ccccc1 ZINC000809747048 586517394 /nfs/dbraw/zinc/51/73/94/586517394.db2.gz HGEHKUFVZMYSSC-LBPRGKRZSA-N 0 1 248.351 2.356 20 0 BEADMN CCCCC[C@@H]1CCCN1Cc1cnn(C)n1 ZINC000809955270 586526158 /nfs/dbraw/zinc/52/61/58/586526158.db2.gz UDPUOHBMLOQKQX-CYBMUJFWSA-N 0 1 236.363 2.360 20 0 BEADMN S=c1[nH]ccn1CN1CC[C@H](C2CCC2)C1 ZINC000840189191 586527123 /nfs/dbraw/zinc/52/71/23/586527123.db2.gz OQWQWYHYACPXQP-NSHDSACASA-N 0 1 237.372 2.251 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](C(F)F)C2)o1 ZINC000809968324 586527623 /nfs/dbraw/zinc/52/76/23/586527623.db2.gz AWYKNOROLRJGSX-SECBINFHSA-N 0 1 230.258 2.378 20 0 BEADMN Cc1cc([NH+]=C([O-])NOC/C=C/Cl)sn1 ZINC000810193349 586536686 /nfs/dbraw/zinc/53/66/86/586536686.db2.gz UIWFOJLEPBXXJQ-NSCUHMNNSA-N 0 1 247.707 2.257 20 0 BEADMN CC(C)(C)N1CC[C@@](F)(C(=O)OCCCF)C1 ZINC000810594754 586541933 /nfs/dbraw/zinc/54/19/33/586541933.db2.gz OKHDSPABQGTSNW-LBPRGKRZSA-N 0 1 249.301 2.102 20 0 BEADMN CCC/C=C\C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840208108 586545791 /nfs/dbraw/zinc/54/57/91/586545791.db2.gz JFZIUGFQZQRACM-UAPHAKCISA-N 0 1 223.276 2.074 20 0 BEADMN CCC(CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840208849 586546157 /nfs/dbraw/zinc/54/61/57/586546157.db2.gz MHIXAKDKRHOYDQ-SSDOTTSWSA-N 0 1 225.292 2.154 20 0 BEADMN C/C(=C\C(=O)O[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC000840213260 586548774 /nfs/dbraw/zinc/54/87/74/586548774.db2.gz BXEDHKBLPMIGEV-HYDMIIDASA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000840228322 586557135 /nfs/dbraw/zinc/55/71/35/586557135.db2.gz DDNWHGCLTWBSMH-UAPHAKCISA-N 0 1 237.303 2.320 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000840228319 586557167 /nfs/dbraw/zinc/55/71/67/586557167.db2.gz DDNWHGCLTWBSMH-CZEYKFRCSA-N 0 1 237.303 2.320 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC000840230841 586559449 /nfs/dbraw/zinc/55/94/49/586559449.db2.gz LTTQEYWNUKXTJL-JGVFFNPUSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)C(C)C)n[nH]1 ZINC000840232110 586560974 /nfs/dbraw/zinc/56/09/74/586560974.db2.gz QTNRDHZUXSLEEV-HTQZYQBOSA-N 0 1 225.292 2.009 20 0 BEADMN CCCCN(C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811729294 586566552 /nfs/dbraw/zinc/56/65/52/586566552.db2.gz NBCGGIGFPRVNKW-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN O[C@H](CN1CC(C2CC2)C1)c1cccc(F)c1 ZINC000812313458 586573132 /nfs/dbraw/zinc/57/31/32/586573132.db2.gz WEOXXVYTONYZLQ-CQSZACIVSA-N 0 1 235.302 2.201 20 0 BEADMN O=C(NOC/C=C\Cl)[C@H]1Cc2ccccc21 ZINC000812403372 586575850 /nfs/dbraw/zinc/57/58/50/586575850.db2.gz NEGZNZKGEIWSAJ-UUSYTGMJSA-N 0 1 237.686 2.127 20 0 BEADMN Cc1ccc(CN2CC(C3CC3)C2)cn1 ZINC000812776448 586583904 /nfs/dbraw/zinc/58/39/04/586583904.db2.gz VFICRRPSAWTXIS-UHFFFAOYSA-N 0 1 202.301 2.232 20 0 BEADMN O=C(NOC1CCC1)[C@@H]1CCOc2ccccc21 ZINC000812791655 586585211 /nfs/dbraw/zinc/58/52/11/586585211.db2.gz ZFQYRLYEGPMBLO-GFCCVEGCSA-N 0 1 247.294 2.153 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1CC1(C)C)N(C)C ZINC000813126445 586595422 /nfs/dbraw/zinc/59/54/22/586595422.db2.gz JSSQSYIZIFNJDP-GHMZBOCLSA-N 0 1 227.348 2.162 20 0 BEADMN CC(C)CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814359057 586621354 /nfs/dbraw/zinc/62/13/54/586621354.db2.gz QEJUIVTXVBYVDV-UHFFFAOYSA-N 0 1 239.319 2.192 20 0 BEADMN CC(C)CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814359057 586621355 /nfs/dbraw/zinc/62/13/55/586621355.db2.gz QEJUIVTXVBYVDV-UHFFFAOYSA-N 0 1 239.319 2.192 20 0 BEADMN CC[C@@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814435332 586621647 /nfs/dbraw/zinc/62/16/47/586621647.db2.gz BXGXWPCQFYJELC-MRVPVSSYSA-N 0 1 239.319 2.192 20 0 BEADMN CC[C@@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814435332 586621648 /nfs/dbraw/zinc/62/16/48/586621648.db2.gz BXGXWPCQFYJELC-MRVPVSSYSA-N 0 1 239.319 2.192 20 0 BEADMN CC[C@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814435333 586621715 /nfs/dbraw/zinc/62/17/15/586621715.db2.gz BXGXWPCQFYJELC-QMMMGPOBSA-N 0 1 239.319 2.192 20 0 BEADMN CC[C@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814435333 586621716 /nfs/dbraw/zinc/62/17/16/586621716.db2.gz BXGXWPCQFYJELC-QMMMGPOBSA-N 0 1 239.319 2.192 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)c2ccoc2)[nH]1 ZINC000814437992 586622040 /nfs/dbraw/zinc/62/20/40/586622040.db2.gz ZGPWITBNZZZPQQ-UHFFFAOYSA-N 0 1 249.270 2.052 20 0 BEADMN CC(C)(C)c1nc(COC(=O)c2ccoc2)n[nH]1 ZINC000814437992 586622041 /nfs/dbraw/zinc/62/20/41/586622041.db2.gz ZGPWITBNZZZPQQ-UHFFFAOYSA-N 0 1 249.270 2.052 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)C2CC=CC2)[nH]1 ZINC000814457473 586622072 /nfs/dbraw/zinc/62/20/72/586622072.db2.gz UTOMIWVYEZJKSJ-UHFFFAOYSA-N 0 1 249.314 2.112 20 0 BEADMN CC(C)(C)c1nc(COC(=O)C2CC=CC2)n[nH]1 ZINC000814457473 586622073 /nfs/dbraw/zinc/62/20/73/586622073.db2.gz UTOMIWVYEZJKSJ-UHFFFAOYSA-N 0 1 249.314 2.112 20 0 BEADMN CN(CC1(C)CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000814637741 586626990 /nfs/dbraw/zinc/62/69/90/586626990.db2.gz CKZYOJGCEBRGHI-SNVBAGLBSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)n1nccc1CN1C[C@H](C)[C@H]1C ZINC000815162045 586671206 /nfs/dbraw/zinc/67/12/06/586671206.db2.gz ATVQDTUYFQUKJU-WDEREUQCSA-N 0 1 207.321 2.304 20 0 BEADMN Cc1cc(F)ccc1[C@H](C)NCc1cnnn1C ZINC000815626563 586689361 /nfs/dbraw/zinc/68/93/61/586689361.db2.gz HEFUOXGDXNMAOY-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN CC[C@@H](C)N(C)Cc1cnn(C)c1Cl ZINC000816487080 586735596 /nfs/dbraw/zinc/73/55/96/586735596.db2.gz CLZZXUXZTCZENP-MRVPVSSYSA-N 0 1 215.728 2.304 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cnn(C)c1Cl ZINC000816488227 586735763 /nfs/dbraw/zinc/73/57/63/586735763.db2.gz MLCLLIGJHIWAPV-MRVPVSSYSA-N 0 1 227.739 2.304 20 0 BEADMN Cn1ncc(CN2CCCCCC2)c1Cl ZINC000816480798 586735916 /nfs/dbraw/zinc/73/59/16/586735916.db2.gz XLZYJVPOYNLEMD-UHFFFAOYSA-N 0 1 227.739 2.450 20 0 BEADMN Cc1nocc1CN1CCC(n2cccn2)CC1 ZINC000816498139 586736641 /nfs/dbraw/zinc/73/66/41/586736641.db2.gz ICKLVIPFUOHCJE-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN Cn1ncc(CN2CCC(C)(C)C2)c1Cl ZINC000816509504 586737457 /nfs/dbraw/zinc/73/74/57/586737457.db2.gz SJEUGOCYHWIKBI-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@H](C(=O)[O-])C2)C1 ZINC000859809705 589062427 /nfs/dbraw/zinc/06/24/27/589062427.db2.gz XJFFZXWTHBDPMB-UHTWSYAYSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@@H]1CCN(Cc2cnn(C)c2Cl)C1 ZINC000816520158 586738395 /nfs/dbraw/zinc/73/83/95/586738395.db2.gz HQPONXVAUKSGJW-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN CC[C@H]1CCN(Cc2cnn(C)c2Cl)C1 ZINC000816520159 586738604 /nfs/dbraw/zinc/73/86/04/586738604.db2.gz HQPONXVAUKSGJW-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN CC1=CC[C@H](N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000816591869 586743105 /nfs/dbraw/zinc/74/31/05/586743105.db2.gz QIOKGRNJRUKOJH-MNOVXSKESA-N 0 1 247.346 2.157 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(C)o1 ZINC000859810164 589063026 /nfs/dbraw/zinc/06/30/26/589063026.db2.gz HOMQIQHXUVXSQF-CYBMUJFWSA-N 0 1 237.299 2.193 20 0 BEADMN CC[C@H](C)CONC(=O)c1ccc2cncn2c1 ZINC000816978602 586777502 /nfs/dbraw/zinc/77/75/02/586777502.db2.gz XMFQZMWICXHBNI-JTQLQIEISA-N 0 1 247.298 2.042 20 0 BEADMN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCF)C1 ZINC000817288630 586792754 /nfs/dbraw/zinc/79/27/54/586792754.db2.gz JUIRZORBLVEPGH-WDEREUQCSA-N 0 1 245.338 2.256 20 0 BEADMN CCC1(CC)CCN(CN2CC[C@H](C)C2)C1=O ZINC000817360893 586799084 /nfs/dbraw/zinc/79/90/84/586799084.db2.gz VDJDBCUEZYCBKP-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000817533370 586809824 /nfs/dbraw/zinc/80/98/24/586809824.db2.gz KBKUFOFHPVAZOS-GMTAPVOTSA-N 0 1 247.342 2.025 20 0 BEADMN CCC(=O)CCN1CCc2c(O)cccc2C1 ZINC000859947109 589073354 /nfs/dbraw/zinc/07/33/54/589073354.db2.gz VYHUQUMFGAIZEC-UHFFFAOYSA-N 0 1 233.311 2.120 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817792030 586828314 /nfs/dbraw/zinc/82/83/14/586828314.db2.gz YNIFITISJMBXOG-KOLCDFICSA-N 0 1 237.274 2.088 20 0 BEADMN CCc1nn(C)c(Cl)c1CN[C@@H]1CC12CC2 ZINC000818229909 586880744 /nfs/dbraw/zinc/88/07/44/586880744.db2.gz HMSGCGDNLWMMMA-SNVBAGLBSA-N 0 1 239.750 2.278 20 0 BEADMN C/C(=C\C(=O)N1C[C@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000818554234 586900477 /nfs/dbraw/zinc/90/04/77/586900477.db2.gz OXEMJLJZNHUATM-SKWDFFSCSA-N 0 1 238.375 2.188 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)C[C@H]1CC ZINC000818969865 586918237 /nfs/dbraw/zinc/91/82/37/586918237.db2.gz AKXZDTPZMBBWBD-KXXVWKPMSA-N 0 1 238.375 2.285 20 0 BEADMN CCCCCC[C@H](O)CNCc1ncoc1C ZINC000819194156 586937550 /nfs/dbraw/zinc/93/75/50/586937550.db2.gz PDSKQTIYCWTGRY-LBPRGKRZSA-N 0 1 240.347 2.404 20 0 BEADMN CC(C)CC[C@H](O)CNCc1cccnc1F ZINC000819276286 586946563 /nfs/dbraw/zinc/94/65/63/586946563.db2.gz HHBWNDSUDRAEME-LBPRGKRZSA-N 0 1 240.322 2.107 20 0 BEADMN CC(C)CC[C@@H](O)CNCc1cccnc1F ZINC000819276285 586946799 /nfs/dbraw/zinc/94/67/99/586946799.db2.gz HHBWNDSUDRAEME-GFCCVEGCSA-N 0 1 240.322 2.107 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C(F)=C1CCC1 ZINC000819393515 586960738 /nfs/dbraw/zinc/96/07/38/586960738.db2.gz FNHBURUKXQTURI-JTQLQIEISA-N 0 1 249.289 2.311 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc2[nH]ccc21 ZINC000820014872 587012870 /nfs/dbraw/zinc/01/28/70/587012870.db2.gz HBAKWUXFQNLRGX-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000820252884 587038371 /nfs/dbraw/zinc/03/83/71/587038371.db2.gz JUUAGWDDJYBBQI-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)CONC(=O)c1cccc(F)c1O ZINC000820278947 587040396 /nfs/dbraw/zinc/04/03/96/587040396.db2.gz GPLABXWZRVSWPZ-QMMMGPOBSA-N 0 1 241.262 2.239 20 0 BEADMN C[N@H+](C/C=C/c1ccc(F)cc1)CCC(=O)[O-] ZINC000820580045 587056037 /nfs/dbraw/zinc/05/60/37/587056037.db2.gz QUFUKKVEZHDLDM-NSCUHMNNSA-N 0 1 237.274 2.245 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2cnccc21 ZINC000820586194 587056170 /nfs/dbraw/zinc/05/61/70/587056170.db2.gz PYLKAOCFCMSFNY-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(F)cc(F)c2O)[C@H]1C ZINC000820651950 587061984 /nfs/dbraw/zinc/06/19/84/587061984.db2.gz VRXMWUJIOBDFGM-BQBZGAKWSA-N 0 1 241.237 2.151 20 0 BEADMN CC1(C)CCCC[C@@H]1NC(=O)CN1CCCC1 ZINC000820825213 587074907 /nfs/dbraw/zinc/07/49/07/587074907.db2.gz PBWXQYKMNGGACL-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821056178 587091542 /nfs/dbraw/zinc/09/15/42/587091542.db2.gz NYOOUBCBYLNAQC-UHFFFAOYSA-N 0 1 249.318 2.130 20 0 BEADMN Cc1cccc([C@H]2CC[N@@H+](CCC(=O)[O-])C2)c1 ZINC000821112370 587096478 /nfs/dbraw/zinc/09/64/78/587096478.db2.gz WEMFPIWZLSWDMB-ZDUSSCGKSA-N 0 1 233.311 2.259 20 0 BEADMN C[C@@H](NC(=O)c1cccc(F)c1O)C1CC1 ZINC000821180017 587100399 /nfs/dbraw/zinc/10/03/99/587100399.db2.gz YRXHXTZVGPBIFV-SSDOTTSWSA-N 0 1 223.247 2.060 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840423958 587101289 /nfs/dbraw/zinc/10/12/89/587101289.db2.gz HMTRHFUUOSBBEK-DJLDLDEBSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)CC(C)C)n[nH]1 ZINC000840446723 587103565 /nfs/dbraw/zinc/10/35/65/587103565.db2.gz TVORGLOLSXEKTO-DTWKUNHWSA-N 0 1 239.319 2.400 20 0 BEADMN CC/C=C/CNC(=O)c1cccc(F)c1O ZINC000821310324 587106757 /nfs/dbraw/zinc/10/67/57/587106757.db2.gz ZMNMOVCNZABYIL-ONEGZZNKSA-N 0 1 223.247 2.227 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000821508637 587123477 /nfs/dbraw/zinc/12/34/77/587123477.db2.gz CHZVOTWIRIMZKA-LBPRGKRZSA-N 0 1 244.294 2.217 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000821508970 587123562 /nfs/dbraw/zinc/12/35/62/587123562.db2.gz JHASFDPFPRMBDF-ZDUSSCGKSA-N 0 1 244.294 2.217 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000821509250 587123655 /nfs/dbraw/zinc/12/36/55/587123655.db2.gz LZQVKQKEZVNSSM-MTMQSLQUSA-N 0 1 249.285 2.388 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000821511591 587124235 /nfs/dbraw/zinc/12/42/35/587124235.db2.gz KKLCEKHFMYQDEB-MGPQQGTHSA-N 0 1 245.322 2.197 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000821512022 587124446 /nfs/dbraw/zinc/12/44/46/587124446.db2.gz YZTBCYDHBMKBIJ-OLZOCXBDSA-N 0 1 245.322 2.123 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000821524198 587125142 /nfs/dbraw/zinc/12/51/42/587125142.db2.gz OZXZZRCTFOLESF-GFCCVEGCSA-N 0 1 234.299 2.083 20 0 BEADMN C[C@H](C(=O)Nc1ccc(C2CC2)cc1)N(C)C ZINC000821541361 587127273 /nfs/dbraw/zinc/12/72/73/587127273.db2.gz ZTKPONOJCKQUDE-SNVBAGLBSA-N 0 1 232.327 2.453 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1CCC12CCC2)N(C)C ZINC000821793865 587138477 /nfs/dbraw/zinc/13/84/77/587138477.db2.gz HDUQWJCMGFGMDB-VXGBXAGGSA-N 0 1 239.359 2.449 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1CCC1(C)C)N(C)C ZINC000821834609 587141995 /nfs/dbraw/zinc/14/19/95/587141995.db2.gz XVHVMTMIZCXZTJ-MNOVXSKESA-N 0 1 227.348 2.304 20 0 BEADMN COC(=O)C1C[C@@H](C)N(C/C=C\Cl)[C@@H](C)C1 ZINC000860184085 589087506 /nfs/dbraw/zinc/08/75/06/589087506.db2.gz BFTLXQGCZSULIT-CKHIRNHWSA-N 0 1 245.750 2.401 20 0 BEADMN COC1CC(N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000822497926 587171997 /nfs/dbraw/zinc/17/19/97/587171997.db2.gz OLUBXGOPHLTTPU-PQAZSJQKSA-N 0 1 235.302 2.391 20 0 BEADMN C[C@H](c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1)C1CC1 ZINC000822874589 587190752 /nfs/dbraw/zinc/19/07/52/587190752.db2.gz BCRAWYHWKBDTQG-ZQNVIIHSSA-N 0 1 219.288 2.006 20 0 BEADMN Cc1ocnc1-c1noc([C@@H]2C[C@@H](C)CCN2)n1 ZINC000823141160 587204839 /nfs/dbraw/zinc/20/48/39/587204839.db2.gz SKGGVCHQECMQMF-CBAPKCEASA-N 0 1 248.286 2.094 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)CN2CCCC2)CC1 ZINC000823139072 587205005 /nfs/dbraw/zinc/20/50/05/587205005.db2.gz IHCBWDHMWKOOEH-JOCQHMNTSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1cc(CNC(=O)c2ccsc2C)n[nH]1 ZINC000823286449 587214058 /nfs/dbraw/zinc/21/40/58/587214058.db2.gz OBMPOCDARKBHTO-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CCn1nc(C)c(CN(C)[C@@H](C)C(C)C)n1 ZINC000823399701 587219377 /nfs/dbraw/zinc/21/93/77/587219377.db2.gz PBJUFSXRCPDSRH-NSHDSACASA-N 0 1 224.352 2.083 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H]2C2CCC2)n1 ZINC000823429026 587221239 /nfs/dbraw/zinc/22/12/39/587221239.db2.gz UQDJKCTXZFELTA-AWEZNQCLSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN(C)C(C)(C)CC)n1 ZINC000823445311 587222335 /nfs/dbraw/zinc/22/23/35/587222335.db2.gz XYXVHTGBRDYMPG-UHFFFAOYSA-N 0 1 224.352 2.227 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000823453788 587223625 /nfs/dbraw/zinc/22/36/25/587223625.db2.gz ZRMSWTIETMAZOC-BETUJISGSA-N 0 1 248.374 2.228 20 0 BEADMN Fc1c(CNC[C@@H]2CCCO2)ccnc1Cl ZINC000823584724 587231974 /nfs/dbraw/zinc/23/19/74/587231974.db2.gz LKYUANOFZGHUFU-VIFPVBQESA-N 0 1 244.697 2.143 20 0 BEADMN CC(C)(C)OCCNCc1cc(F)ncc1F ZINC000823736724 587238650 /nfs/dbraw/zinc/23/86/50/587238650.db2.gz LUOYWBBRMDOJTH-UHFFFAOYSA-N 0 1 244.285 2.265 20 0 BEADMN CO[C@@H](CNCc1ccncc1C)C(F)(F)F ZINC000823836697 587242228 /nfs/dbraw/zinc/24/22/28/587242228.db2.gz LFULPRTZYVOPFX-JTQLQIEISA-N 0 1 248.248 2.057 20 0 BEADMN C[C@]1(NCc2ccnc(Cl)c2F)CCOC1 ZINC000824043758 587251145 /nfs/dbraw/zinc/25/11/45/587251145.db2.gz DIKYFPBCOONJOC-NSHDSACASA-N 0 1 244.697 2.143 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C1/CC[C@@H](C)C1 ZINC000824050905 587251940 /nfs/dbraw/zinc/25/19/40/587251940.db2.gz LPYMCKSNNACCFN-VPMLRQHESA-N 0 1 247.342 2.423 20 0 BEADMN CCC(=CC(=O)N(C)Cc1cn[nH]c1C)CC ZINC000824050743 587251960 /nfs/dbraw/zinc/25/19/60/587251960.db2.gz JOMQLUIKZBTZAU-UHFFFAOYSA-N 0 1 235.331 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H](C)C1CC1 ZINC000824051508 587252144 /nfs/dbraw/zinc/25/21/44/587252144.db2.gz XGQXALIORFDHLU-VIFPVBQESA-N 0 1 235.331 2.113 20 0 BEADMN C/C=C(\CC)C(=O)N(C)Cc1cn[nH]c1C ZINC000824056897 587252937 /nfs/dbraw/zinc/25/29/37/587252937.db2.gz MQZDILOKFQYGTH-BJMVGYQFSA-N 0 1 221.304 2.033 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC000824064139 587253276 /nfs/dbraw/zinc/25/32/76/587253276.db2.gz VLDQXIMVPUFZMH-TZMCWYRMSA-N 0 1 247.342 2.257 20 0 BEADMN C[C@@]1(NCc2cc(F)ncc2F)CCCOC1 ZINC000824108370 587255980 /nfs/dbraw/zinc/25/59/80/587255980.db2.gz OWKFAPFHAQXGKM-GFCCVEGCSA-N 0 1 242.269 2.019 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1cc(F)ncc1F ZINC000824147877 587258447 /nfs/dbraw/zinc/25/84/47/587258447.db2.gz QZHNIRUMSPAYJX-PELKAZGASA-N 0 1 242.269 2.017 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CN1CCCC1 ZINC000824181256 587260024 /nfs/dbraw/zinc/26/00/24/587260024.db2.gz HJOQIEFJCGFSIE-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[N@@H+](C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000824251599 587263325 /nfs/dbraw/zinc/26/33/25/587263325.db2.gz LIRUTCZIAJEFPT-LLVKDONJSA-N 0 1 230.352 2.257 20 0 BEADMN CCn1nc(C)c(CN2CC3(CCC3)C[C@@H]2C)n1 ZINC000824291909 587264973 /nfs/dbraw/zinc/26/49/73/587264973.db2.gz JIIDDRYBXJYTJO-NSHDSACASA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN2CCCC23CCC3)n1 ZINC000824296914 587265344 /nfs/dbraw/zinc/26/53/44/587265344.db2.gz LGLHBYUHHRUTEL-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN CCn1nc(C)c(CNCCCC(C)(F)F)n1 ZINC000824477469 587271389 /nfs/dbraw/zinc/27/13/89/587271389.db2.gz SMQYXLZADYQDPW-UHFFFAOYSA-N 0 1 246.305 2.131 20 0 BEADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000824629276 587280272 /nfs/dbraw/zinc/28/02/72/587280272.db2.gz RMLOMYPFOFBNKU-UZWSLXQKSA-N 0 1 247.342 2.050 20 0 BEADMN CC[C@@](C)(CNCc1cc(F)ncc1F)OC ZINC000824743395 587285360 /nfs/dbraw/zinc/28/53/60/587285360.db2.gz AYMWXLQPAQQDPM-LBPRGKRZSA-N 0 1 244.285 2.265 20 0 BEADMN Cc1ccccc1N(C)C(=O)CN1CCCC1 ZINC000824816758 587288572 /nfs/dbraw/zinc/28/85/72/587288572.db2.gz FAMCEFTUSYIWDX-UHFFFAOYSA-N 0 1 232.327 2.054 20 0 BEADMN C[C@@H]([N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1)C1(C)CC1 ZINC000825056532 587300270 /nfs/dbraw/zinc/30/02/70/587300270.db2.gz QIZFVTLEJYTJMO-GHMZBOCLSA-N 0 1 240.347 2.107 20 0 BEADMN CCc1nc(CN[C@@H](C)C[C@H]2CCOC2)co1 ZINC000825055840 587300273 /nfs/dbraw/zinc/30/02/73/587300273.db2.gz BJKPOSACMBOFHT-WDEREUQCSA-N 0 1 238.331 2.142 20 0 BEADMN CCc1nc(CNC2Cc3ccccc3C2)co1 ZINC000825058410 587300973 /nfs/dbraw/zinc/30/09/73/587300973.db2.gz XTJHNIFWMMGUJG-UHFFFAOYSA-N 0 1 242.322 2.494 20 0 BEADMN CCc1nc(CN[C@H]2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000825061475 587301777 /nfs/dbraw/zinc/30/17/77/587301777.db2.gz HCJGTNJQFPWIKH-URLYPYJESA-N 0 1 238.331 2.283 20 0 BEADMN CCCc1ncc(CNC[C@H]2CCC=CO2)o1 ZINC000825086639 587303406 /nfs/dbraw/zinc/30/34/06/587303406.db2.gz USGPFEVXYYOCMX-LLVKDONJSA-N 0 1 236.315 2.409 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)cs1 ZINC000825104136 587304321 /nfs/dbraw/zinc/30/43/21/587304321.db2.gz OSRZUDYHBIWJNK-GMSGAONNSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCC1CC1 ZINC000825194279 587309320 /nfs/dbraw/zinc/30/93/20/587309320.db2.gz NOTMSNDMBXBYBP-CMPLNLGQSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@]12C[C@H]1CCCC2)N(C)C ZINC000825251472 587311384 /nfs/dbraw/zinc/31/13/84/587311384.db2.gz ZHKCTGQTIILKDI-CZXHOFHRSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000825267120 587311674 /nfs/dbraw/zinc/31/16/74/587311674.db2.gz XLWDPQWOACZBMH-CMPLNLGQSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000825266745 587311901 /nfs/dbraw/zinc/31/19/01/587311901.db2.gz WNYGBINYSJFLQD-NFXDQBBPSA-N 0 1 246.738 2.107 20 0 BEADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000825266748 587311923 /nfs/dbraw/zinc/31/19/23/587311923.db2.gz WNYGBINYSJFLQD-XMWDXMLXSA-N 0 1 246.738 2.107 20 0 BEADMN C[C@@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)[O-] ZINC000825629357 587327945 /nfs/dbraw/zinc/32/79/45/587327945.db2.gz CAAVUJVAKXJWRE-VIFPVBQESA-N 0 1 240.278 2.086 20 0 BEADMN Cc1n[nH]c(C(=O)NCCCCC2CC2)c1C ZINC000825680442 587331878 /nfs/dbraw/zinc/33/18/78/587331878.db2.gz JWUCTEGWBKPHCB-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCNC(=O)[O-] ZINC000825778424 587338854 /nfs/dbraw/zinc/33/88/54/587338854.db2.gz MYDVSMWBTOUQLO-YPMHNXCESA-N 0 1 248.326 2.132 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCNC(=O)[O-] ZINC000825853178 587341538 /nfs/dbraw/zinc/34/15/38/587341538.db2.gz VBWBFXIAUCBORZ-WCQYABFASA-N 0 1 248.326 2.132 20 0 BEADMN C[C@H]1CCN(C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825945113 587347015 /nfs/dbraw/zinc/34/70/15/587347015.db2.gz SMTHESWRXUACOM-LBPRGKRZSA-N 0 1 248.326 2.261 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C(C)(C)C1 ZINC000826048440 587349254 /nfs/dbraw/zinc/34/92/54/587349254.db2.gz IERHHIFTCVSLCC-GHMZBOCLSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)[O-] ZINC000826639220 587357396 /nfs/dbraw/zinc/35/73/96/587357396.db2.gz LSWKXBUEYMOPFP-LBPRGKRZSA-N 0 1 236.315 2.337 20 0 BEADMN CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826837317 587364055 /nfs/dbraw/zinc/36/40/55/587364055.db2.gz XBGKFIZQYJKPGZ-WDEREUQCSA-N 0 1 228.336 2.155 20 0 BEADMN CCC[N@@H+](CC1CCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826907335 587365038 /nfs/dbraw/zinc/36/50/38/587365038.db2.gz NAFHZXBLGFXGBE-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN COC(=O)c1oc(CN[C@H]2C=CCC2)cc1C ZINC000826940332 587366420 /nfs/dbraw/zinc/36/64/20/587366420.db2.gz DAXOVAGWGXOZAG-JTQLQIEISA-N 0 1 235.283 2.183 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827490864 587383010 /nfs/dbraw/zinc/38/30/10/587383010.db2.gz HMAFAACXMPMSBU-MVXISAMASA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)no1 ZINC000827511525 587385129 /nfs/dbraw/zinc/38/51/29/587385129.db2.gz VYOSWJCTJNFNKL-SECBINFHSA-N 0 1 230.258 2.364 20 0 BEADMN CN(Cc1ccoc1)CC1=CCSC1 ZINC000827805094 587403056 /nfs/dbraw/zinc/40/30/56/587403056.db2.gz GZQLPOPQQQSDQU-UHFFFAOYSA-N 0 1 209.314 2.385 20 0 BEADMN CC(C)CC(=O)CCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000828389082 587439631 /nfs/dbraw/zinc/43/96/31/587439631.db2.gz DPYXDBLGZUFQPU-RWMBFGLXSA-N 0 1 241.375 2.489 20 0 BEADMN OC1(CN2CC(C(F)(F)F)C2)CCCCC1 ZINC000828404663 587440232 /nfs/dbraw/zinc/44/02/32/587440232.db2.gz CGGNOVPKGCEFAQ-UHFFFAOYSA-N 0 1 237.265 2.176 20 0 BEADMN CCN1CCN(CCC(=O)CC(C)C)[C@H](C)C1 ZINC000828525079 587446452 /nfs/dbraw/zinc/44/64/52/587446452.db2.gz JJSGNOHJEDHNBR-CYBMUJFWSA-N 0 1 240.391 2.018 20 0 BEADMN OCC[C@H](NCc1csc(Cl)n1)C1CC1 ZINC000828823162 587464533 /nfs/dbraw/zinc/46/45/33/587464533.db2.gz XBKNSZBNLIEQDT-VIFPVBQESA-N 0 1 246.763 2.047 20 0 BEADMN CCOc1ccc(SCc2c[nH]nn2)cc1 ZINC000828910886 587471406 /nfs/dbraw/zinc/47/14/06/587471406.db2.gz BOMVSJVCNMQJMV-UHFFFAOYSA-N 0 1 235.312 2.496 20 0 BEADMN CC1=C(Br)CN(CC[C@@H](C)O)CC1 ZINC000829397660 587495691 /nfs/dbraw/zinc/49/56/91/587495691.db2.gz OIUSEPVLAHBGPK-SECBINFHSA-N 0 1 248.164 2.132 20 0 BEADMN CCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)o1 ZINC000829475896 587499690 /nfs/dbraw/zinc/49/96/90/587499690.db2.gz VSCDWOMNVKUQQH-UHFFFAOYSA-N 0 1 231.679 2.230 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)o1 ZINC000829475896 587499691 /nfs/dbraw/zinc/49/96/91/587499691.db2.gz VSCDWOMNVKUQQH-UHFFFAOYSA-N 0 1 231.679 2.230 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc2cc[nH]c21 ZINC000829475830 587499836 /nfs/dbraw/zinc/49/98/36/587499836.db2.gz LQMZJBCUDQGECP-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN C/C(=C/Cl)CSCc1c[nH]nn1 ZINC000829542030 587502920 /nfs/dbraw/zinc/50/29/20/587502920.db2.gz FFFIKCGVHFJYLS-KXFIGUGUSA-N 0 1 203.698 2.181 20 0 BEADMN Cc1cc(=O)[nH]c(CN(C)CCC(C)(C)C)n1 ZINC000829938378 587529173 /nfs/dbraw/zinc/52/91/73/587529173.db2.gz VMSCUGONGKFHOL-UHFFFAOYSA-N 0 1 237.347 2.359 20 0 BEADMN CC(C)C(=O)CCN1CCOC[C@H]1C1CCC1 ZINC000830213287 587540731 /nfs/dbraw/zinc/54/07/31/587540731.db2.gz ACHMJSDMKCJMPG-ZDUSSCGKSA-N 0 1 239.359 2.103 20 0 BEADMN C[C@@]1(F)CCCN(CCC(=O)C2CC2)C1 ZINC000830211775 587541111 /nfs/dbraw/zinc/54/11/11/587541111.db2.gz CASWEXKKZILBOM-GFCCVEGCSA-N 0 1 213.296 2.180 20 0 BEADMN CCOC(CN1CCC[C@@](C)(F)C1)OCC ZINC000830211765 587541285 /nfs/dbraw/zinc/54/12/85/587541285.db2.gz BVPUQNYVVAVJJI-GFCCVEGCSA-N 0 1 233.327 2.210 20 0 BEADMN Cc1ccccc1C[N@@H+](CCNC(=O)[O-])C1CC1 ZINC000830573274 587559172 /nfs/dbraw/zinc/55/91/72/587559172.db2.gz GSNQRDPZEVPDCI-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN C[N@@H+](C[Si](C)(C)C)C1(C(=O)[O-])CCCC1 ZINC000830800463 587570960 /nfs/dbraw/zinc/57/09/60/587570960.db2.gz AMCAWTOVEAILIQ-UHFFFAOYSA-N 0 1 229.396 2.193 20 0 BEADMN CCC(=O)CCN1C[C@@H](C)OC2(CCCC2)C1 ZINC000830860716 587574390 /nfs/dbraw/zinc/57/43/90/587574390.db2.gz NJBPJNOLJBEPSY-GFCCVEGCSA-N 0 1 239.359 2.389 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C(C)(C)O)s1 ZINC000831014808 587582880 /nfs/dbraw/zinc/58/28/80/587582880.db2.gz DWFCZKVKUSJVFZ-VIFPVBQESA-N 0 1 228.361 2.043 20 0 BEADMN CC(C)CCCCCC(=O)N1CCN[C@@H](C)C1 ZINC000831611390 587621067 /nfs/dbraw/zinc/62/10/67/587621067.db2.gz VHDGGKJDQMFDDU-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H]1CC/C(=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000831605446 587622939 /nfs/dbraw/zinc/62/29/39/587622939.db2.gz CFOZOIUSCGMQHE-NRGHUDMYSA-N 0 1 248.370 2.086 20 0 BEADMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NOC1CCCC1 ZINC000831706827 587628611 /nfs/dbraw/zinc/62/86/11/587628611.db2.gz MYIDTKVQJAMTAY-GHMZBOCLSA-N 0 1 241.331 2.180 20 0 BEADMN CCn1ncnc1CN1CCCCCCCC1 ZINC000831937840 587637770 /nfs/dbraw/zinc/63/77/70/587637770.db2.gz ZGIQRHGFXJZVOR-UHFFFAOYSA-N 0 1 236.363 2.454 20 0 BEADMN COc1cccc2c1CN(CCF)CC2 ZINC000831948769 587637880 /nfs/dbraw/zinc/63/78/80/587637880.db2.gz CWAHHFJKEIRPDS-UHFFFAOYSA-N 0 1 209.264 2.023 20 0 BEADMN CCn1cc([C@@H](C)NC/C=C\Cl)cn1 ZINC000832310543 587653667 /nfs/dbraw/zinc/65/36/67/587653667.db2.gz UCXOIXDEWCMOOM-XRVBUDJMSA-N 0 1 213.712 2.306 20 0 BEADMN O=C(NOC1CCC1)[C@@H]1CCc2cccc(O)c21 ZINC000832332255 587654825 /nfs/dbraw/zinc/65/48/25/587654825.db2.gz HJXFSNPUDPYZCH-LLVKDONJSA-N 0 1 247.294 2.022 20 0 BEADMN O=C(Cc1cscn1)NOC1CCCCC1 ZINC000832552958 587665879 /nfs/dbraw/zinc/66/58/79/587665879.db2.gz IWHAWPKEZOTXPX-UHFFFAOYSA-N 0 1 240.328 2.066 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCF ZINC000833180074 587701583 /nfs/dbraw/zinc/70/15/83/587701583.db2.gz TZXSMNAGXFWEKE-RYUDHWBXSA-N 0 1 243.322 2.311 20 0 BEADMN C/C(=C\C[N@H+]1CCc2cccc(F)c2C1)C(=O)[O-] ZINC000833382712 587712111 /nfs/dbraw/zinc/71/21/11/587712111.db2.gz LDZPUZWKBXZRQC-BJMVGYQFSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C\C[N@@H+](Cc1cccnc1)C1CC1)C(=O)[O-] ZINC000833383596 587712307 /nfs/dbraw/zinc/71/23/07/587712307.db2.gz ONRFWQCNWKXQIG-IZZDOVSWSA-N 0 1 246.310 2.077 20 0 BEADMN C/C(=C\C[N@@H+]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833383814 587712358 /nfs/dbraw/zinc/71/23/58/587712358.db2.gz QEEHPIPVDJZBAH-QZULDAKNSA-N 0 1 225.332 2.385 20 0 BEADMN C/C(=C/C[N@@H+]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833383812 587712654 /nfs/dbraw/zinc/71/26/54/587712654.db2.gz QEEHPIPVDJZBAH-KMFOOYFMSA-N 0 1 225.332 2.385 20 0 BEADMN C/C(=C\c1ccccc1)C[N@@H+](C)CCC(=O)[O-] ZINC000833385027 587712757 /nfs/dbraw/zinc/71/27/57/587712757.db2.gz FEYWJAAQCFTQHZ-ZRDIBKRKSA-N 0 1 233.311 2.496 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833469016 587716184 /nfs/dbraw/zinc/71/61/84/587716184.db2.gz PDTRLLUXEQOMIB-SECBINFHSA-N 0 1 224.304 2.189 20 0 BEADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833486819 587716914 /nfs/dbraw/zinc/71/69/14/587716914.db2.gz RTXQMTFSHBHHMB-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccoc1 ZINC000833486967 587717004 /nfs/dbraw/zinc/71/70/04/587717004.db2.gz XKJJMHIVPHEKSQ-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550774 587719616 /nfs/dbraw/zinc/71/96/16/587719616.db2.gz XIMBNKHUUWCZFG-VIFPVBQESA-N 0 1 248.282 2.499 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CCC(C)C)O1 ZINC000833579133 587721090 /nfs/dbraw/zinc/72/10/90/587721090.db2.gz XUBYNLOQFGIDSZ-LLVKDONJSA-N 0 1 241.331 2.112 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833592303 587722165 /nfs/dbraw/zinc/72/21/65/587722165.db2.gz PPDZQKDQYAKVKB-AOOOYVTPSA-N 0 1 236.315 2.191 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833610660 587724148 /nfs/dbraw/zinc/72/41/48/587724148.db2.gz GBAQYPGEIJBMSB-SNVBAGLBSA-N 0 1 236.315 2.477 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@H]1F ZINC000833615676 587724311 /nfs/dbraw/zinc/72/43/11/587724311.db2.gz ICAGHFBPYDUXBN-PSASIEDQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@H]1F ZINC000833615676 587724313 /nfs/dbraw/zinc/72/43/13/587724313.db2.gz ICAGHFBPYDUXBN-PSASIEDQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)[C@H]1C ZINC000833612617 587724515 /nfs/dbraw/zinc/72/45/15/587724515.db2.gz AUUPPOJZBWNRDS-ZJUUUORDSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1C(=O)[O-] ZINC000833629743 587724718 /nfs/dbraw/zinc/72/47/18/587724718.db2.gz MOSFKDBATMTOPI-APPZFPTMSA-N 0 1 243.690 2.086 20 0 BEADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])C2CC2)CC(C)(C)C1 ZINC000833625896 587724762 /nfs/dbraw/zinc/72/47/62/587724762.db2.gz VIHVQNMLQIRHID-ONGXEEELSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)[O-] ZINC000833631154 587725488 /nfs/dbraw/zinc/72/54/88/587725488.db2.gz ACCYGTDDBYYDDU-DTWKUNHWSA-N 0 1 237.274 2.218 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2C2CC2)c[nH]1 ZINC000833778885 587731368 /nfs/dbraw/zinc/73/13/68/587731368.db2.gz GPGTVIGTHJSNDE-LBPRGKRZSA-N 0 1 234.299 2.087 20 0 BEADMN C[C@@H](CCNc1[nH]c2ccccc2[nH+]1)NC(=O)[O-] ZINC000833805915 587733373 /nfs/dbraw/zinc/73/33/73/587733373.db2.gz UHTGHKKCVABLQZ-QMMMGPOBSA-N 0 1 248.286 2.021 20 0 BEADMN CCCCC[N@H+]1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833853730 587735990 /nfs/dbraw/zinc/73/59/90/587735990.db2.gz SLHJORSFHZANTN-QWRGUYRKSA-N 0 1 228.336 2.297 20 0 BEADMN CCCCC[N@H+]1CC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833852283 587736037 /nfs/dbraw/zinc/73/60/37/587736037.db2.gz BFNGYABIVPNSBV-GHMZBOCLSA-N 0 1 228.336 2.155 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833853728 587736088 /nfs/dbraw/zinc/73/60/88/587736088.db2.gz SLHJORSFHZANTN-GHMZBOCLSA-N 0 1 228.336 2.297 20 0 BEADMN CC[N@@H+](CCC1CCN(C(=O)[O-])CC1)C(C)C ZINC000833857191 587736361 /nfs/dbraw/zinc/73/63/61/587736361.db2.gz GGDVRDXQXWHWNW-UHFFFAOYSA-N 0 1 242.363 2.497 20 0 BEADMN C[N@H+](Cc1ccc(NC(=O)[O-])nc1)CC1CC1 ZINC000833874232 587738127 /nfs/dbraw/zinc/73/81/27/587738127.db2.gz DWPGOXYUXOARDR-UHFFFAOYSA-N 0 1 235.287 2.013 20 0 BEADMN O=C([O-])N1CCC(CC[N@@H+]2CC=CCC2)CC1 ZINC000834078203 587744423 /nfs/dbraw/zinc/74/44/23/587744423.db2.gz JPNLXOFGWKAARF-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN O=C([O-])N1CC[C@@H]([N@@H+](CC2CCC2)C2CC2)C1 ZINC000834081132 587744827 /nfs/dbraw/zinc/74/48/27/587744827.db2.gz DKULZDYOJWPHKI-GFCCVEGCSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC000834096226 587745089 /nfs/dbraw/zinc/74/50/89/587745089.db2.gz UCALUWJBHJMWDO-NEPJUHHUSA-N 0 1 238.331 2.003 20 0 BEADMN CCc1nc(CN[C@@H](C)CCCOC)co1 ZINC000834900134 587769953 /nfs/dbraw/zinc/76/99/53/587769953.db2.gz MILOSDMIFPIZLD-JTQLQIEISA-N 0 1 226.320 2.142 20 0 BEADMN C[C@H]1CC[C@H](CNCc2cccnc2Cl)O1 ZINC000835086876 587781796 /nfs/dbraw/zinc/78/17/96/587781796.db2.gz KWFONMRDKCCZEO-GXSJLCMTSA-N 0 1 240.734 2.392 20 0 BEADMN CSC[C@@H](C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000835676026 587811838 /nfs/dbraw/zinc/81/18/38/587811838.db2.gz GUPATTUCYUSZHD-WDEREUQCSA-N 0 1 247.404 2.115 20 0 BEADMN CSC[C@@H](C)COC(=O)[C@H](C(C)C)N(C)C ZINC000835676024 587811878 /nfs/dbraw/zinc/81/18/78/587811878.db2.gz GUPATTUCYUSZHD-QWRGUYRKSA-N 0 1 247.404 2.115 20 0 BEADMN CSC[C@H](C)COC(=O)[C@H](C(C)C)N(C)C ZINC000835676022 587811978 /nfs/dbraw/zinc/81/19/78/587811978.db2.gz GUPATTUCYUSZHD-MNOVXSKESA-N 0 1 247.404 2.115 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C=C2CCC2)CC1 ZINC000837004881 587847341 /nfs/dbraw/zinc/84/73/41/587847341.db2.gz BZUHGWGMSHKPHC-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC000837413247 587870906 /nfs/dbraw/zinc/87/09/06/587870906.db2.gz RNGNGXHAKOSXPD-SECBINFHSA-N 0 1 235.331 2.025 20 0 BEADMN C=COc1ccc(NC(=O)CN(C)C(C)C)cc1 ZINC000837761989 587894399 /nfs/dbraw/zinc/89/43/99/587894399.db2.gz VYXXGBNDCNMXBC-UHFFFAOYSA-N 0 1 248.326 2.488 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n[nH]1 ZINC000840576589 587912162 /nfs/dbraw/zinc/91/21/62/587912162.db2.gz GPWMQGJEFRDCSI-OIORRXCASA-N 0 1 249.314 2.154 20 0 BEADMN CC/C(C)=C/C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840581950 587912756 /nfs/dbraw/zinc/91/27/56/587912756.db2.gz XQICGYGRDXNCIM-HYDMIIDASA-N 0 1 223.276 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000840581504 587912964 /nfs/dbraw/zinc/91/29/64/587912964.db2.gz OCLDZYJZKAQQKQ-ZANVPECISA-N 0 1 249.314 2.464 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC000840581196 587913009 /nfs/dbraw/zinc/91/30/09/587913009.db2.gz BOAKPZCSGPTWPH-HTQZYQBOSA-N 0 1 237.303 2.154 20 0 BEADMN CC(C)n1cc(CNc2nccn2C2CC2)nn1 ZINC000840887253 587928225 /nfs/dbraw/zinc/92/82/25/587928225.db2.gz UMVJNEFSXMIUNS-UHFFFAOYSA-N 0 1 246.318 2.003 20 0 BEADMN C1=CO[C@H](C[N@H+]2CCO[C@@H](C3CCC3)C2)CC1 ZINC000840953933 587931923 /nfs/dbraw/zinc/93/19/23/587931923.db2.gz DBEVGHCERJEXJF-UONOGXRCSA-N 0 1 237.343 2.180 20 0 BEADMN C1=CO[C@H](CN2CCO[C@@H](C3CCC3)C2)CC1 ZINC000840953933 587931924 /nfs/dbraw/zinc/93/19/24/587931924.db2.gz DBEVGHCERJEXJF-UONOGXRCSA-N 0 1 237.343 2.180 20 0 BEADMN C(C1CCCCC1)[N@H+]1CCC2(C1)OCCO2 ZINC000104081622 587932808 /nfs/dbraw/zinc/93/28/08/587932808.db2.gz IUQXCNQGXSUSHX-UHFFFAOYSA-N 0 1 225.332 2.016 20 0 BEADMN O=c1cc(Cc2ccccc2)[nH]n1C1CCC1 ZINC000841487646 587956330 /nfs/dbraw/zinc/95/63/30/587956330.db2.gz RKYOHCDXTIYOMJ-UHFFFAOYSA-N 0 1 228.295 2.370 20 0 BEADMN CCC(N)=NOCc1ccc(COC)cc1 ZINC000842023776 587989919 /nfs/dbraw/zinc/98/99/19/587989919.db2.gz KADNDHLRUJZZML-UHFFFAOYSA-N 0 1 222.288 2.241 20 0 BEADMN CCC(N)=NOC[C@@H](Cc1ccccc1)OC ZINC000842025312 587989980 /nfs/dbraw/zinc/98/99/80/587989980.db2.gz WLODUXXIVRUJPC-GFCCVEGCSA-N 0 1 236.315 2.153 20 0 BEADMN CC(C)C(N)=NOC1CC(OC(C)(C)C)C1 ZINC000842038699 587991912 /nfs/dbraw/zinc/99/19/12/587991912.db2.gz GUSUTJOIZFEGGS-UHFFFAOYSA-N 0 1 228.336 2.487 20 0 BEADMN Cc1noc([C@H](C)NCCCC(C)(F)F)n1 ZINC000842147873 588003508 /nfs/dbraw/zinc/00/35/08/588003508.db2.gz MZAFKECWDYSRKD-ZETCQYMHSA-N 0 1 233.262 2.464 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000842165894 588003965 /nfs/dbraw/zinc/00/39/65/588003965.db2.gz GXJIUDWCYBIJNA-SRVKXCTJSA-N 0 1 227.348 2.162 20 0 BEADMN Cc1ncccc1OC[C@@H]1CCCN1CCF ZINC000842173955 588005939 /nfs/dbraw/zinc/00/59/39/588005939.db2.gz ZPIMFOGKWKJVRI-LBPRGKRZSA-N 0 1 238.306 2.203 20 0 BEADMN CC(Cl)(Cl)c1nc(C2(N)CCC2)no1 ZINC000842617768 588046055 /nfs/dbraw/zinc/04/60/55/588046055.db2.gz ONLYSCOOVRJWKI-UHFFFAOYSA-N 0 1 236.102 2.058 20 0 BEADMN CC(C)[C@@H](F)c1nc([C@H]2CCCN2)no1 ZINC000842636813 588047362 /nfs/dbraw/zinc/04/73/62/588047362.db2.gz GCCDFPIHOTXWMW-HTQZYQBOSA-N 0 1 213.256 2.161 20 0 BEADMN CC(C)[C@H](F)c1nc([C@@H]2CCCN2)no1 ZINC000842636816 588047508 /nfs/dbraw/zinc/04/75/08/588047508.db2.gz GCCDFPIHOTXWMW-YUMQZZPRSA-N 0 1 213.256 2.161 20 0 BEADMN Cc1ccc(N)cc1-c1nc([C@H]2CCCN2)no1 ZINC000842642697 588048116 /nfs/dbraw/zinc/04/81/16/588048116.db2.gz KJOCQTRDZLKZPA-LLVKDONJSA-N 0 1 244.298 2.052 20 0 BEADMN C[C@H](Cc1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000842642556 588048367 /nfs/dbraw/zinc/04/83/67/588048367.db2.gz UGFTWFIDEWBXJK-SCZZXKLOSA-N 0 1 221.304 2.083 20 0 BEADMN CC(C)c1cc(CN[C@H]2CO[C@@H](C)C2)on1 ZINC000842679975 588051978 /nfs/dbraw/zinc/05/19/78/588051978.db2.gz USIJOMJWQPTAON-VHSXEESVSA-N 0 1 224.304 2.065 20 0 BEADMN Cc1cc(Cl)nc(CN[C@@H]2CO[C@H](C)C2)c1 ZINC000842702722 588054246 /nfs/dbraw/zinc/05/42/46/588054246.db2.gz KSEFQTCIADRIOP-KOLCDFICSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@H]1C[C@@H](NCc2cc(F)cnc2Cl)CO1 ZINC000842708759 588054805 /nfs/dbraw/zinc/05/48/05/588054805.db2.gz FKBLOXWDWBZUPT-OIBJUYFYSA-N 0 1 244.697 2.141 20 0 BEADMN CC(C)[C@H](N)c1noc(/C=C\c2ccco2)n1 ZINC000843146740 588086599 /nfs/dbraw/zinc/08/65/99/588086599.db2.gz OUBJMAYQWDMNDV-GZTOBOFZSA-N 0 1 233.271 2.489 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2ccccc2O)n1 ZINC000843147074 588086692 /nfs/dbraw/zinc/08/66/92/588086692.db2.gz ZRPZKUHMXJONKP-SNVBAGLBSA-N 0 1 233.271 2.098 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2ccccc2O)n1 ZINC000843147073 588087157 /nfs/dbraw/zinc/08/71/57/588087157.db2.gz ZRPZKUHMXJONKP-JTQLQIEISA-N 0 1 233.271 2.098 20 0 BEADMN CSCCCCc1nc([C@@H](N)C(C)C)no1 ZINC000843149455 588087217 /nfs/dbraw/zinc/08/72/17/588087217.db2.gz NQQQGDVYTCSFQZ-JTQLQIEISA-N 0 1 243.376 2.411 20 0 BEADMN CC(C)OCCCc1nc([C@H](N)C(C)C)no1 ZINC000843151445 588087232 /nfs/dbraw/zinc/08/72/32/588087232.db2.gz ZQBKRAOMNASOTL-LLVKDONJSA-N 0 1 241.335 2.083 20 0 BEADMN CS[C@H](C)CCc1nc([C@@H](N)C(C)C)no1 ZINC000843151716 588087362 /nfs/dbraw/zinc/08/73/62/588087362.db2.gz OZZRFISDOALXEV-SCZZXKLOSA-N 0 1 243.376 2.410 20 0 BEADMN COCCC[C@@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843150850 588087862 /nfs/dbraw/zinc/08/78/62/588087862.db2.gz LICUKMBPMIDCCY-NXEZZACHSA-N 0 1 241.335 2.256 20 0 BEADMN CCC[C@H](C)c1noc(CNCC2CC2)n1 ZINC000843183204 588090671 /nfs/dbraw/zinc/09/06/71/588090671.db2.gz RNLFENGFVSSEKD-VIFPVBQESA-N 0 1 223.320 2.473 20 0 BEADMN CCC[C@@H](C)c1noc(CNCC2CC2)n1 ZINC000843183202 588090710 /nfs/dbraw/zinc/09/07/10/588090710.db2.gz RNLFENGFVSSEKD-SECBINFHSA-N 0 1 223.320 2.473 20 0 BEADMN Cc1cc(CNC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000843799319 588140691 /nfs/dbraw/zinc/14/06/91/588140691.db2.gz WBMMFUKFNFTHFT-VOTSOKGWSA-N 0 1 233.315 2.081 20 0 BEADMN CCCONC(=O)[C@H](c1cccnc1)C(C)C ZINC000844087083 588164945 /nfs/dbraw/zinc/16/49/45/588164945.db2.gz HIVWVBJSPVVZIZ-LBPRGKRZSA-N 0 1 236.315 2.279 20 0 BEADMN CC(C)Oc1ccnc(CN2CC[C@H]3C[C@H]32)c1 ZINC000844312143 588183908 /nfs/dbraw/zinc/18/39/08/588183908.db2.gz DEQKQYSNRXRFIN-SMDDNHRTSA-N 0 1 232.327 2.463 20 0 BEADMN COc1ccc(C2CCN(CCF)CC2)nc1 ZINC000844351402 588187011 /nfs/dbraw/zinc/18/70/11/588187011.db2.gz NYJFDDXUILHURX-UHFFFAOYSA-N 0 1 238.306 2.239 20 0 BEADMN Cc1cnc(CN2CCC23CCCC3)cn1 ZINC000844359136 588187467 /nfs/dbraw/zinc/18/74/67/588187467.db2.gz MUJYZQLFXWLJSP-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN Cc1cnc(CN2CCC[C@H](OC(C)C)C2)cn1 ZINC000844377276 588188185 /nfs/dbraw/zinc/18/81/85/588188185.db2.gz DVCOUKGFFQHHLR-AWEZNQCLSA-N 0 1 249.358 2.174 20 0 BEADMN C[C@H](c1ccncc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450296 588194963 /nfs/dbraw/zinc/19/49/63/588194963.db2.gz KMAVEUUPWDJTHA-IEBDPFPHSA-N 0 1 224.254 2.340 20 0 BEADMN FC1(F)[C@H]2CN(CCOc3ccccc3)C[C@H]21 ZINC000844449392 588195119 /nfs/dbraw/zinc/19/51/19/588195119.db2.gz DDKKPBBUXIKCSK-TXEJJXNPSA-N 0 1 239.265 2.262 20 0 BEADMN C[C@@H](c1ccccn1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451861 588195331 /nfs/dbraw/zinc/19/53/31/588195331.db2.gz AGXMYKNLSBCFRB-LPEHRKFASA-N 0 1 224.254 2.340 20 0 BEADMN Cc1ccncc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455939 588196336 /nfs/dbraw/zinc/19/63/36/588196336.db2.gz DJCUAGPJUWWZDC-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN Cc1ncsc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844462790 588197114 /nfs/dbraw/zinc/19/71/14/588197114.db2.gz OOYCFVCUJKGENU-OCAPTIKFSA-N 0 1 230.283 2.148 20 0 BEADMN Cc1oncc1CN1CC[C@]2(CC2(F)F)C1 ZINC000844471855 588198291 /nfs/dbraw/zinc/19/82/91/588198291.db2.gz SOVFTPYKMJUMJG-JTQLQIEISA-N 0 1 228.242 2.214 20 0 BEADMN CC(C)=C(C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000844642423 588212220 /nfs/dbraw/zinc/21/22/20/588212220.db2.gz IYLGIDCMYGFUIG-KGYLQXTDSA-N 0 1 238.375 2.282 20 0 BEADMN CN(CCC1CC1)CN1C(=O)CC12CCCC2 ZINC000844696062 588214113 /nfs/dbraw/zinc/21/41/13/588214113.db2.gz AALRPGOAKWWICS-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)n1 ZINC000844839779 588218299 /nfs/dbraw/zinc/21/82/99/588218299.db2.gz VWHBWFOTORLZCE-SECBINFHSA-N 0 1 242.706 2.030 20 0 BEADMN CCC[C@H](C)c1noc(CC(F)(F)CN)n1 ZINC000844910171 588219375 /nfs/dbraw/zinc/21/93/75/588219375.db2.gz SPRJVQFGFIEFBV-ZETCQYMHSA-N 0 1 233.262 2.110 20 0 BEADMN CC(C)c1csc(SCc2nn[nH]n2)n1 ZINC000845330764 588226740 /nfs/dbraw/zinc/22/67/40/588226740.db2.gz SRDYUQACRFOUGW-UHFFFAOYSA-N 0 1 241.345 2.072 20 0 BEADMN Cc1cc(CC(=O)OC[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000845768740 588244483 /nfs/dbraw/zinc/24/44/83/588244483.db2.gz YJRLSBFHVLQTRC-UTUOFQBUSA-N 0 1 248.326 2.240 20 0 BEADMN Cc1ccc(CN2CCC[C@H](OC(C)C)C2)nn1 ZINC000846013160 588253441 /nfs/dbraw/zinc/25/34/41/588253441.db2.gz FEGPXVPMGDHLJY-AWEZNQCLSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1ccc(CN2CCC[C@@H](OC(C)C)C2)nn1 ZINC000846013164 588253534 /nfs/dbraw/zinc/25/35/34/588253534.db2.gz FEGPXVPMGDHLJY-CQSZACIVSA-N 0 1 249.358 2.174 20 0 BEADMN CCn1ncc(CN[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000846026706 588253928 /nfs/dbraw/zinc/25/39/28/588253928.db2.gz UPEOMZMGOJWNHF-CMPLNLGQSA-N 0 1 236.363 2.212 20 0 BEADMN FC1(F)[C@H]2CN(Cc3[nH]nc4ccccc43)C[C@H]21 ZINC000846109174 588257140 /nfs/dbraw/zinc/25/71/40/588257140.db2.gz CIOCJWFQNGRDQR-AOOOYVTPSA-N 0 1 249.264 2.260 20 0 BEADMN CC(C)c1ncc(CN(C)[C@@H](C)CCO)s1 ZINC000846111456 588257270 /nfs/dbraw/zinc/25/72/70/588257270.db2.gz PIBGBJHXXWLXAQ-JTQLQIEISA-N 0 1 242.388 2.469 20 0 BEADMN Cc1cnccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846114248 588257659 /nfs/dbraw/zinc/25/76/59/588257659.db2.gz TXPLZTISUSJSIX-PHIMTYICSA-N 0 1 224.254 2.087 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[O-] ZINC000846225339 588261818 /nfs/dbraw/zinc/26/18/18/588261818.db2.gz MLFOKNHLCPQPTH-SNVBAGLBSA-N 0 1 239.290 2.309 20 0 BEADMN COCC[N@@H+](CCC(=O)[O-])C[C@@H](C)CC(C)C ZINC000846271474 588263514 /nfs/dbraw/zinc/26/35/14/588263514.db2.gz GXVKHUBIZMISKG-LBPRGKRZSA-N 0 1 245.363 2.092 20 0 BEADMN CC(C)N(CCO)Cc1cnc(Cl)c(F)c1 ZINC000846781556 588288021 /nfs/dbraw/zinc/28/80/21/588288021.db2.gz OQOXQFHGSMVSED-UHFFFAOYSA-N 0 1 246.713 2.077 20 0 BEADMN CC[C@@H](NCc1cnsn1)[C@@H]1CC1(C)C ZINC000846999195 588301156 /nfs/dbraw/zinc/30/11/56/588301156.db2.gz GQPNRKKQVSQEGV-VHSXEESVSA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015327 588347810 /nfs/dbraw/zinc/34/78/10/588347810.db2.gz YQFUTXUIPDWXQK-MRVPVSSYSA-N 0 1 222.288 2.376 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccco1 ZINC000848015813 588348057 /nfs/dbraw/zinc/34/80/57/588348057.db2.gz HKHWZENHRSJHGU-UHFFFAOYSA-N 0 1 232.239 2.237 20 0 BEADMN CN1CCN(C(=O)C=C2CCCC2)CC1(C)C ZINC000848032699 588349200 /nfs/dbraw/zinc/34/92/00/588349200.db2.gz CDXBEGXEOCGUAN-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1coc(NC(=O)c2c[nH]nc2C2CC2)n1 ZINC000848377946 588375123 /nfs/dbraw/zinc/37/51/23/588375123.db2.gz JEFDHTRXGJPPOG-UHFFFAOYSA-N 0 1 246.270 2.090 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@@H]1CCC=CO1)CCC2 ZINC000848547968 588396037 /nfs/dbraw/zinc/39/60/37/588396037.db2.gz SSTSLWCZQMAXPM-NWDGAFQWSA-N 0 1 233.315 2.000 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(C)ccc2F)no1 ZINC000848628519 588402871 /nfs/dbraw/zinc/40/28/71/588402871.db2.gz WDDMZJLLUYKQPO-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)cc2F)no1 ZINC000848627253 588402928 /nfs/dbraw/zinc/40/29/28/588402928.db2.gz WOOSWNIFQBFZAR-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN COC(=O)/C=C/c1ccc(CN(C)C2CC2)o1 ZINC000848881528 588416366 /nfs/dbraw/zinc/41/63/66/588416366.db2.gz PPIJCBSTANUKIG-BQYQJAHWSA-N 0 1 235.283 2.060 20 0 BEADMN C[C@H]1CN(Cc2cnc(Cl)n2C)C[C@@H]1C ZINC000848885830 588416738 /nfs/dbraw/zinc/41/67/38/588416738.db2.gz ADHLHBJRJIARRC-IUCAKERBSA-N 0 1 227.739 2.161 20 0 BEADMN CCC1CN(Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC000848914360 588419963 /nfs/dbraw/zinc/41/99/63/588419963.db2.gz ICCVENUIBSFDJN-SREVYHEPSA-N 0 1 249.310 2.308 20 0 BEADMN CCN(CCSC)Cc1cnc(Cl)n1C ZINC000848920059 588421083 /nfs/dbraw/zinc/42/10/83/588421083.db2.gz WRXGITLAEZIOMM-UHFFFAOYSA-N 0 1 247.795 2.258 20 0 BEADMN CC(C)c1nnc(NCC(F)(F)F)o1 ZINC000849162135 588458106 /nfs/dbraw/zinc/45/81/06/588458106.db2.gz VQFYNUYYEBRRMJ-UHFFFAOYSA-N 0 1 209.171 2.167 20 0 BEADMN Cc1ccc(C(=O)OCCN2CCCCC2)o1 ZINC000849185522 588460587 /nfs/dbraw/zinc/46/05/87/588460587.db2.gz ZPSGEGKSKDRZFX-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN C[C@H](C1CC1)N(C)CC(=O)OCc1ccccc1 ZINC000108360954 588461533 /nfs/dbraw/zinc/46/15/33/588461533.db2.gz SQTUKGAJORAVSV-GFCCVEGCSA-N 0 1 247.338 2.460 20 0 BEADMN CC(C)(C)SCC[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000849345140 588473709 /nfs/dbraw/zinc/47/37/09/588473709.db2.gz TVVXVHBQJBRGBF-UHFFFAOYSA-N 0 1 243.372 2.067 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2CCCC2)n[nH]1 ZINC000849627401 588481455 /nfs/dbraw/zinc/48/14/55/588481455.db2.gz FJBFYQGREHGNNK-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2ccccc2)n[nH]1 ZINC000849634921 588482987 /nfs/dbraw/zinc/48/29/87/588482987.db2.gz XPWKDFTWHUMFAU-SECBINFHSA-N 0 1 245.282 2.285 20 0 BEADMN CCC[C@@H](C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849694877 588487056 /nfs/dbraw/zinc/48/70/56/588487056.db2.gz OBAJOJAJIGJFSK-BDAKNGLRSA-N 0 1 239.319 2.408 20 0 BEADMN Cc1nc(CNCCNc2ccccc2)[nH]c1C ZINC000850179016 588524507 /nfs/dbraw/zinc/52/45/07/588524507.db2.gz RGJPRBXAQUJLPU-UHFFFAOYSA-N 0 1 244.342 2.228 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2CC3(CC3)C2)n[nH]1 ZINC000850216460 588529743 /nfs/dbraw/zinc/52/97/43/588529743.db2.gz SMEXYMUDQQVWCX-QMMMGPOBSA-N 0 1 249.314 2.162 20 0 BEADMN CC[C@H]1C[C@H](NCc2noc3ccccc32)CO1 ZINC000850339205 588537182 /nfs/dbraw/zinc/53/71/82/588537182.db2.gz MCWYJEJXEKODBN-QWRGUYRKSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cccnc2Cl)[C@H](C)O1 ZINC000850351902 588537880 /nfs/dbraw/zinc/53/78/80/588537880.db2.gz JNIDRENXJPDFFR-WCABBAIRSA-N 0 1 240.734 2.391 20 0 BEADMN C[C@@H]1C[C@H](NCc2cccnc2Cl)[C@H](C)O1 ZINC000850351904 588537927 /nfs/dbraw/zinc/53/79/27/588537927.db2.gz JNIDRENXJPDFFR-YWVKMMECSA-N 0 1 240.734 2.391 20 0 BEADMN C[C@H](NCc1ccon1)C(C)(C)C(F)F ZINC000850439695 588546784 /nfs/dbraw/zinc/54/67/84/588546784.db2.gz QZRBHIWNDZRUKX-ZETCQYMHSA-N 0 1 218.247 2.444 20 0 BEADMN O[C@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000850370515 588540852 /nfs/dbraw/zinc/54/08/52/588540852.db2.gz QHVNCTOARIVWLQ-GJZGRUSLSA-N 0 1 240.306 2.350 20 0 BEADMN O[C@@H]1C[C@@H](NCc2ccncc2)c2ccccc21 ZINC000850369399 588540857 /nfs/dbraw/zinc/54/08/57/588540857.db2.gz JHMMCTOTUULFGH-HUUCEWRRSA-N 0 1 240.306 2.350 20 0 BEADMN O[C@@H]1C[C@H](NCc2cncs2)c2ccccc21 ZINC000850371605 588540864 /nfs/dbraw/zinc/54/08/64/588540864.db2.gz LEKYNSBQOXEEKD-QWHCGFSZSA-N 0 1 246.335 2.411 20 0 BEADMN O[C@@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000850370516 588541086 /nfs/dbraw/zinc/54/10/86/588541086.db2.gz QHVNCTOARIVWLQ-HUUCEWRRSA-N 0 1 240.306 2.350 20 0 BEADMN CCn1nc(C)c(CNCCCC2CCC2)n1 ZINC000850378976 588542228 /nfs/dbraw/zinc/54/22/28/588542228.db2.gz CRFQOJULYDHLIT-UHFFFAOYSA-N 0 1 236.363 2.276 20 0 BEADMN CCn1nc(C)c(CNC2(CC(C)C)CC2)n1 ZINC000850404648 588544174 /nfs/dbraw/zinc/54/41/74/588544174.db2.gz QOOVGHCUVDVSGB-UHFFFAOYSA-N 0 1 236.363 2.275 20 0 BEADMN CC[C@H](COCC1CC1)N[C@@H](C)c1ncc[nH]1 ZINC000850494387 588552280 /nfs/dbraw/zinc/55/22/80/588552280.db2.gz OMFJSCMRYZGKCS-CMPLNLGQSA-N 0 1 237.347 2.266 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1C=CCC1 ZINC000850506191 588552839 /nfs/dbraw/zinc/55/28/39/588552839.db2.gz CHWIDRABYBCXFL-QWRGUYRKSA-N 0 1 205.305 2.272 20 0 BEADMN C[C@H](N[C@H]1C=CCC1)c1cc2n(n1)CCC2 ZINC000850507566 588553494 /nfs/dbraw/zinc/55/34/94/588553494.db2.gz JXKNPKWHTBOGSW-QWRGUYRKSA-N 0 1 217.316 2.199 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2COC3(CCC3)C2)nn1C ZINC000850524386 588556832 /nfs/dbraw/zinc/55/68/32/588556832.db2.gz XKPMIJMCLLCXMS-NWDGAFQWSA-N 0 1 249.358 2.091 20 0 BEADMN CO[C@H](CN[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000850560751 588560582 /nfs/dbraw/zinc/56/05/82/588560582.db2.gz GHFXMEJHWRXXFQ-ZYHUDNBSSA-N 0 1 237.347 2.266 20 0 BEADMN CCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851469769 588606601 /nfs/dbraw/zinc/60/66/01/588606601.db2.gz WSMOKGDUKOEJCV-CYBMUJFWSA-N 0 1 233.311 2.214 20 0 BEADMN CC[C@@H](c1ccccc1)[N@H+](CCF)CC(=O)[O-] ZINC000851706933 588614812 /nfs/dbraw/zinc/61/48/12/588614812.db2.gz MUFZJSJIHAUVTE-LBPRGKRZSA-N 0 1 239.290 2.494 20 0 BEADMN CC[C@@H](c1ccccc1)[N@@H+](CCF)CC(=O)[O-] ZINC000851706933 588614813 /nfs/dbraw/zinc/61/48/13/588614813.db2.gz MUFZJSJIHAUVTE-LBPRGKRZSA-N 0 1 239.290 2.494 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C/C=C/Cl)C1CCC1 ZINC000851707564 588615232 /nfs/dbraw/zinc/61/52/32/588615232.db2.gz GICOSJGQAWMLRL-HFSLJOEWSA-N 0 1 217.696 2.067 20 0 BEADMN C/C(=C\C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000851708834 588615436 /nfs/dbraw/zinc/61/54/36/588615436.db2.gz MSWHRRGUNILPJR-ZFAGKHEFSA-N 0 1 247.338 2.161 20 0 BEADMN CN(CCOC(F)F)Cc1ccsc1 ZINC000851716985 588616462 /nfs/dbraw/zinc/61/64/62/588616462.db2.gz SQVWUYUQTWRRPB-UHFFFAOYSA-N 0 1 221.272 2.419 20 0 BEADMN Cc1ccc(CN(C[C@H]2CCC(=O)O2)C2CC2)o1 ZINC000851729126 588619117 /nfs/dbraw/zinc/61/91/17/588619117.db2.gz ZIKWTTFLXDBJQC-CYBMUJFWSA-N 0 1 249.310 2.258 20 0 BEADMN c1nonc1CN1CC[C@H](c2ccccc2)C1 ZINC000851739298 588620984 /nfs/dbraw/zinc/62/09/84/588620984.db2.gz IFHDOGMXTGVMOM-LBPRGKRZSA-N 0 1 229.283 2.059 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1Cc1cnon1 ZINC000851752128 588623850 /nfs/dbraw/zinc/62/38/50/588623850.db2.gz AGERHVVYHWPADJ-JTQLQIEISA-N 0 1 209.293 2.080 20 0 BEADMN CC1(C)OC[C@H](CN2Cc3ccccc3C2)O1 ZINC000851760298 588624384 /nfs/dbraw/zinc/62/43/84/588624384.db2.gz FGUAVPSXRSUNQZ-ZDUSSCGKSA-N 0 1 233.311 2.154 20 0 BEADMN c1nonc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000851785021 588628294 /nfs/dbraw/zinc/62/82/94/588628294.db2.gz KAAYMLOESSFLNU-CYBMUJFWSA-N 0 1 243.310 2.134 20 0 BEADMN c1nonc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000851785022 588628488 /nfs/dbraw/zinc/62/84/88/588628488.db2.gz KAAYMLOESSFLNU-ZDUSSCGKSA-N 0 1 243.310 2.134 20 0 BEADMN CCOC[C@H]1CCN(Cc2cccc(F)n2)C1 ZINC000851798190 588629612 /nfs/dbraw/zinc/62/96/12/588629612.db2.gz PAPADXDWQIXVAA-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN C[C@H]1[C@H](c2ccccc2)CCN1Cc1cnon1 ZINC000851805213 588631056 /nfs/dbraw/zinc/63/10/56/588631056.db2.gz ONFISZAZZABDAV-SMDDNHRTSA-N 0 1 243.310 2.448 20 0 BEADMN CCC1(CC)CCN(Cc2cnon2)C1 ZINC000851809012 588632022 /nfs/dbraw/zinc/63/20/22/588632022.db2.gz TWQVGLXBOYGOSK-UHFFFAOYSA-N 0 1 209.293 2.082 20 0 BEADMN FC(F)OCCN1CCC[C@@H]1c1ccncc1 ZINC000851872146 588637604 /nfs/dbraw/zinc/63/76/04/588637604.db2.gz ZVPBUSRSPXQYSV-LLVKDONJSA-N 0 1 242.269 2.458 20 0 BEADMN CC(C)=CCCN(C)CC(C)(C)S(C)(=O)=O ZINC000851879487 588639073 /nfs/dbraw/zinc/63/90/73/588639073.db2.gz KKNSYWKQVQWNDH-UHFFFAOYSA-N 0 1 247.404 2.098 20 0 BEADMN c1nonc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000851907569 588642496 /nfs/dbraw/zinc/64/24/96/588642496.db2.gz FPVGMFDOZRCCOR-CQSZACIVSA-N 0 1 243.310 2.181 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cnon2)[C@@H]2CCCC[C@H]21 ZINC000851919323 588643678 /nfs/dbraw/zinc/64/36/78/588643678.db2.gz IKDKQRDQUPQOQG-ADEWGFFLSA-N 0 1 221.304 2.080 20 0 BEADMN O=C1OCC[C@]12CCCN2CCCC1CCC1 ZINC000851956808 588647827 /nfs/dbraw/zinc/64/78/27/588647827.db2.gz ILBVKBXKIJGBJA-CQSZACIVSA-N 0 1 237.343 2.348 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CCN1CCOC(F)F ZINC000851998108 588653296 /nfs/dbraw/zinc/65/32/96/588653296.db2.gz PVJSBUNXROVOBK-NKWVEPMBSA-N 0 1 247.207 2.498 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOC(F)F ZINC000851998112 588653424 /nfs/dbraw/zinc/65/34/24/588653424.db2.gz PVJSBUNXROVOBK-RQJHMYQMSA-N 0 1 247.207 2.498 20 0 BEADMN FC(F)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000852017110 588655871 /nfs/dbraw/zinc/65/58/71/588655871.db2.gz UBSVZZDQFOHVMN-KXNHARMFSA-N 0 1 245.313 2.389 20 0 BEADMN CCN(Cc1cccc(F)n1)C[C@@H](C)OC ZINC000852073714 588659788 /nfs/dbraw/zinc/65/97/88/588659788.db2.gz XMUAVYIPGKVFBI-SNVBAGLBSA-N 0 1 226.295 2.078 20 0 BEADMN CC(C)=CCCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000852080027 588660670 /nfs/dbraw/zinc/66/06/70/588660670.db2.gz TVXTUGBDGPLUCK-LLVKDONJSA-N 0 1 225.332 2.369 20 0 BEADMN c1nonc1CN1CCCCCCCC1 ZINC000852139920 588666473 /nfs/dbraw/zinc/66/64/73/588666473.db2.gz GMADYNHMIWUGSU-UHFFFAOYSA-N 0 1 209.293 2.226 20 0 BEADMN CCn1ncc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000852148478 588667274 /nfs/dbraw/zinc/66/72/74/588667274.db2.gz YCKTYYUMHVHFAR-JTQLQIEISA-N 0 1 222.336 2.061 20 0 BEADMN OCCC[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000852149806 588667602 /nfs/dbraw/zinc/66/76/02/588667602.db2.gz VSAJQOBFICQDML-VIFPVBQESA-N 0 1 238.158 2.400 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@]1(C)CC1(Cl)Cl ZINC000852288212 588676041 /nfs/dbraw/zinc/67/60/41/588676041.db2.gz LNOTUKCCIZHPQF-SECBINFHSA-N 0 1 248.157 2.425 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)[C@H](C)CC ZINC000852292725 588676761 /nfs/dbraw/zinc/67/67/61/588676761.db2.gz HVMCKNQOBBALLH-GHMZBOCLSA-N 0 1 215.337 2.449 20 0 BEADMN CCC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852318597 588677845 /nfs/dbraw/zinc/67/78/45/588677845.db2.gz SWQFRDOBIYONNQ-ZDUSSCGKSA-N 0 1 243.322 2.154 20 0 BEADMN CCCN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852318597 588677846 /nfs/dbraw/zinc/67/78/46/588677846.db2.gz SWQFRDOBIYONNQ-ZDUSSCGKSA-N 0 1 243.322 2.154 20 0 BEADMN CCC[N@H+]1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852318596 588677934 /nfs/dbraw/zinc/67/79/34/588677934.db2.gz SWQFRDOBIYONNQ-CYBMUJFWSA-N 0 1 243.322 2.154 20 0 BEADMN CCCN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852318596 588677935 /nfs/dbraw/zinc/67/79/35/588677935.db2.gz SWQFRDOBIYONNQ-CYBMUJFWSA-N 0 1 243.322 2.154 20 0 BEADMN C[C@@H]1CN(CCCCCCCO)C[C@@H](C)C1=O ZINC000852474970 588683145 /nfs/dbraw/zinc/68/31/45/588683145.db2.gz YCVCESPJLYJRGT-CHWSQXEVSA-N 0 1 241.375 2.086 20 0 BEADMN C[C@@]12COC[C@@H]1CN(CC=C(Cl)Cl)C2 ZINC000852534437 588688914 /nfs/dbraw/zinc/68/89/14/588688914.db2.gz AHZSATZSIPXFDR-WCBMZHEXSA-N 0 1 236.142 2.274 20 0 BEADMN C[C@]12COC[C@@H]1CN(CC=C(Cl)Cl)C2 ZINC000852534438 588688923 /nfs/dbraw/zinc/68/89/23/588688923.db2.gz AHZSATZSIPXFDR-WPRPVWTQSA-N 0 1 236.142 2.274 20 0 BEADMN COC(=O)N(C)CC[N@@H+](C)CCCC1CCC1 ZINC000852565857 588690719 /nfs/dbraw/zinc/69/07/19/588690719.db2.gz AOOHTWXMTWQCKA-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN O[C@@H]1C[C@H](NC/C(Cl)=C/Cl)C12CCC2 ZINC000852583808 588691855 /nfs/dbraw/zinc/69/18/55/588691855.db2.gz DCFWYAMVIFPCLC-QRJDUPJOSA-N 0 1 236.142 2.199 20 0 BEADMN O[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)C12CCC2 ZINC000852583807 588692080 /nfs/dbraw/zinc/69/20/80/588692080.db2.gz DCFWYAMVIFPCLC-LKJMDQPVSA-N 0 1 236.142 2.199 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2cnn(CC)n2)C1 ZINC000852592013 588692324 /nfs/dbraw/zinc/69/23/24/588692324.db2.gz FSAXLHJJYMNMSW-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN FCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000852594773 588692570 /nfs/dbraw/zinc/69/25/70/588692570.db2.gz NPHLLSPBGGWQLL-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN CCn1ncc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000852672346 588695020 /nfs/dbraw/zinc/69/50/20/588695020.db2.gz CXYUXYLQWHFIEI-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)OCCN2CCC2)C1 ZINC000861388452 589162237 /nfs/dbraw/zinc/16/22/37/589162237.db2.gz VBRSSJOFQFMYPD-VXGBXAGGSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H](Cc1ccccc1)C(=O)OCCN1CCC1 ZINC000861387034 589162754 /nfs/dbraw/zinc/16/27/54/589162754.db2.gz BFXLYZQMQWCSBS-CYBMUJFWSA-N 0 1 247.338 2.114 20 0 BEADMN CCC[C@H](C(=O)OCCN1CCC1)C(C)C ZINC000861387901 589162946 /nfs/dbraw/zinc/16/29/46/589162946.db2.gz DGBYYILDPYQPDO-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN O=C(/C=C/C1CCCCC1)OCCN1CCC1 ZINC000861387802 589163036 /nfs/dbraw/zinc/16/30/36/589163036.db2.gz OGUZANOOKVTVMU-BQYQJAHWSA-N 0 1 237.343 2.372 20 0 BEADMN O=C(OCCN1CCC1)c1ccc(C2CC2)cc1 ZINC000861390568 589164475 /nfs/dbraw/zinc/16/44/75/589164475.db2.gz QYRVSZCOOXPKBW-UHFFFAOYSA-N 0 1 245.322 2.427 20 0 BEADMN CCCC[C@@H](C)C(=O)OCCN1CCC1 ZINC000861391407 589164934 /nfs/dbraw/zinc/16/49/34/589164934.db2.gz CLWXPOAOHLJJSU-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN CCCCCN(CCS(=O)(=O)CC)C(C)C ZINC000118392802 589169707 /nfs/dbraw/zinc/16/97/07/589169707.db2.gz PLTXNQHRPNUOAS-UHFFFAOYSA-N 0 1 249.420 2.322 20 0 BEADMN CCCCN(CCCC)CCS(=O)(=O)CC ZINC000118392441 589169754 /nfs/dbraw/zinc/16/97/54/589169754.db2.gz JSWFIRIYVWZRJY-UHFFFAOYSA-N 0 1 249.420 2.323 20 0 BEADMN CCCCCCC(=O)N1CCc2nc[nH]c2C1 ZINC000861759121 589176433 /nfs/dbraw/zinc/17/64/33/589176433.db2.gz GNXIAFMSZXZWJP-UHFFFAOYSA-N 0 1 235.331 2.265 20 0 BEADMN Cc1c(CN(C)C[C@H]2CCCO2)ccnc1F ZINC000862217127 589194965 /nfs/dbraw/zinc/19/49/65/589194965.db2.gz XOSIMRXBJSYIMX-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CCOCCN(CC)Cc1ccnc(F)c1C ZINC000862234502 589196188 /nfs/dbraw/zinc/19/61/88/589196188.db2.gz QCZYNIQGPMKORD-UHFFFAOYSA-N 0 1 240.322 2.388 20 0 BEADMN CC(C)[C@H]1CCN1Cc1ccnc(F)c1 ZINC000862262245 589197514 /nfs/dbraw/zinc/19/75/14/589197514.db2.gz VRFHCKPPSNCGGS-LLVKDONJSA-N 0 1 208.280 2.451 20 0 BEADMN CCN(Cc1ccnc(F)c1C)[C@@H]1CCOC1 ZINC000862373503 589205522 /nfs/dbraw/zinc/20/55/22/589205522.db2.gz FPSZKCHRZJKFAL-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN COC1CN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000862388653 589207200 /nfs/dbraw/zinc/20/72/00/589207200.db2.gz GLHZBTHBLWYYLJ-GFCCVEGCSA-N 0 1 219.328 2.429 20 0 BEADMN CC[C@@H]1C[C@@H](CN2CC3(C2)CCCO3)CCO1 ZINC000862484667 589217232 /nfs/dbraw/zinc/21/72/32/589217232.db2.gz YPDBBMVVZVAIIT-QWHCGFSZSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)c(C)n1 ZINC000119353214 589272536 /nfs/dbraw/zinc/27/25/36/589272536.db2.gz GGUDSENSKYHZDP-CYBMUJFWSA-N 0 1 249.358 2.223 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CCN1c1cc[nH+]cc1Cl ZINC000863479810 589292696 /nfs/dbraw/zinc/29/26/96/589292696.db2.gz ZSHKMECKRHRCRL-HTQZYQBOSA-N 0 1 240.690 2.034 20 0 BEADMN CCO[C@H](c1nc([C@H](N)C(C)C)no1)C1CC1 ZINC000863655795 589307953 /nfs/dbraw/zinc/30/79/53/589307953.db2.gz GHIJGILIISMBTG-ZJUUUORDSA-N 0 1 239.319 2.213 20 0 BEADMN CCO[C@@H](c1nc([C@@H](N)C(C)C)no1)C1CC1 ZINC000863655793 589308148 /nfs/dbraw/zinc/30/81/48/589308148.db2.gz GHIJGILIISMBTG-VHSXEESVSA-N 0 1 239.319 2.213 20 0 BEADMN CCO[C@@H](c1nc([C@H](N)C(C)C)no1)C1CC1 ZINC000863655789 589308287 /nfs/dbraw/zinc/30/82/87/589308287.db2.gz GHIJGILIISMBTG-NXEZZACHSA-N 0 1 239.319 2.213 20 0 BEADMN CC/C=C(/F)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000864068894 589338743 /nfs/dbraw/zinc/33/87/43/589338743.db2.gz WOQFJLHMDDQRJY-OTXQMUPVSA-N 0 1 242.338 2.239 20 0 BEADMN Cc1ccc(CCNCc2cn(C3CC3)cn2)o1 ZINC000865412570 589434331 /nfs/dbraw/zinc/43/43/31/589434331.db2.gz PYYPXMKRCJESJF-UHFFFAOYSA-N 0 1 245.326 2.452 20 0 BEADMN CC[C@@](C)(O)CNc1ccncc1C(F)(F)F ZINC000865496647 589440886 /nfs/dbraw/zinc/44/08/86/589440886.db2.gz CRHVULJTOPOQSC-SNVBAGLBSA-N 0 1 248.248 2.095 20 0 BEADMN C1=C[C@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865623200 589452260 /nfs/dbraw/zinc/45/22/60/589452260.db2.gz LYEDDIZQWJNWHQ-JTQLQIEISA-N 0 1 203.289 2.026 20 0 BEADMN Cc1c(Cl)cccc1CNCc1c[nH]nn1 ZINC000865638220 589453518 /nfs/dbraw/zinc/45/35/18/589453518.db2.gz ZAMJIAPDBJVFML-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN C[C@@H](O)C[C@@H](C)Nc1ccncc1C(F)(F)F ZINC000865669860 589455421 /nfs/dbraw/zinc/45/54/21/589455421.db2.gz LQIDWLASXWNDHX-HTQZYQBOSA-N 0 1 248.248 2.094 20 0 BEADMN CN(c1ccncc1C(F)(F)F)C1CC(O)C1 ZINC000865677544 589455979 /nfs/dbraw/zinc/45/59/79/589455979.db2.gz BOHFRUQXOGPPAS-UHFFFAOYSA-N 0 1 246.232 2.060 20 0 BEADMN COc1cccc(CN[C@@H]2CCCC[C@@H]2F)n1 ZINC000865698613 589457288 /nfs/dbraw/zinc/45/72/88/589457288.db2.gz DRNPWKHXYZOKSX-NWDGAFQWSA-N 0 1 238.306 2.461 20 0 BEADMN CCCn1cc(CNCc2ccnc(F)c2)cn1 ZINC000865722812 589458617 /nfs/dbraw/zinc/45/86/17/589458617.db2.gz QJXMIRPONCOYQD-UHFFFAOYSA-N 0 1 248.305 2.117 20 0 BEADMN C[C@H](O)CCCNc1ccncc1C(F)(F)F ZINC000865736675 589459311 /nfs/dbraw/zinc/45/93/11/589459311.db2.gz MSQMDLDYCXHSLQ-QMMMGPOBSA-N 0 1 248.248 2.095 20 0 BEADMN CCc1cc(CNC(=O)[C@@]23C[C@@H]2CCCC3)n[nH]1 ZINC000865753140 589460855 /nfs/dbraw/zinc/46/08/55/589460855.db2.gz JYVTVAQAMMDKGV-HZMBPMFUSA-N 0 1 247.342 2.169 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000865753643 589461133 /nfs/dbraw/zinc/46/11/33/589461133.db2.gz KZHSPBLTVYOVLS-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cc[nH]n1 ZINC000865832363 589463859 /nfs/dbraw/zinc/46/38/59/589463859.db2.gz NHJRLXWCQZXOGR-NXEZZACHSA-N 0 1 245.248 2.396 20 0 BEADMN Cc1nc(CN[C@]23CCC[C@H]2OCC3)cs1 ZINC000865859790 589465570 /nfs/dbraw/zinc/46/55/70/589465570.db2.gz QLAIDOVYTJGMBG-NEPJUHHUSA-N 0 1 238.356 2.253 20 0 BEADMN O[C@H](CCNCc1cscn1)C1CCCC1 ZINC000865874451 589466736 /nfs/dbraw/zinc/46/67/36/589466736.db2.gz DAYGVKRONVCFKB-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN O[C@H](CCNCc1nccs1)C1CCCC1 ZINC000865874510 589466817 /nfs/dbraw/zinc/46/68/17/589466817.db2.gz FNLOSRCYWHSSSL-LLVKDONJSA-N 0 1 240.372 2.174 20 0 BEADMN CCCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866212789 589480835 /nfs/dbraw/zinc/48/08/35/589480835.db2.gz WDFIPYWUZRDJLT-CMPLNLGQSA-N 0 1 209.264 2.458 20 0 BEADMN C[C@@H](CCc1cccnc1)NCc1ccon1 ZINC000866278678 589484173 /nfs/dbraw/zinc/48/41/73/589484173.db2.gz WKHDIRGIHWGRQC-NSHDSACASA-N 0 1 231.299 2.181 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(=O)[nH]n1 ZINC000866452002 589494360 /nfs/dbraw/zinc/49/43/60/589494360.db2.gz SKVHLGCIDXAQJQ-WCABBAIRSA-N 0 1 239.294 2.114 20 0 BEADMN CC[C@H](C[C@H](C)O)N[C@H](C)c1cc(C)on1 ZINC000866634278 589506023 /nfs/dbraw/zinc/50/60/23/589506023.db2.gz PMOXPWXFYVWCST-JMJZKYOTSA-N 0 1 226.320 2.183 20 0 BEADMN CC(C)(C(=O)NOC1CCC1)[C@H]1CCCCO1 ZINC000868659259 589571095 /nfs/dbraw/zinc/57/10/95/589571095.db2.gz UZACSCZUCBLJOP-LLVKDONJSA-N 0 1 241.331 2.182 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n[nH]1 ZINC000869885572 589635249 /nfs/dbraw/zinc/63/52/49/589635249.db2.gz DUKWRUJYJZSNHP-XKLWRSMXSA-N 0 1 249.314 2.009 20 0 BEADMN CC[S@](=O)CCNCc1ccccc1Cl ZINC000123697160 589771228 /nfs/dbraw/zinc/77/12/28/589771228.db2.gz WYFONJOSHZBVAM-OAHLLOKOSA-N 0 1 245.775 2.198 20 0 BEADMN CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871597037 589771771 /nfs/dbraw/zinc/77/17/71/589771771.db2.gz JXYXKYRLLYOXLN-NSHDSACASA-N 0 1 235.331 2.259 20 0 BEADMN CC(C)C(N)=NOCc1scnc1Cl ZINC000871741381 589802396 /nfs/dbraw/zinc/80/23/96/589802396.db2.gz RGGAGYJRKAOCQR-UHFFFAOYSA-N 0 1 233.724 2.451 20 0 BEADMN CN(CCC(C)(C)C)CC(C)(C)S(C)(=O)=O ZINC000123805727 589822942 /nfs/dbraw/zinc/82/29/42/589822942.db2.gz UDWCDTHYYQSADI-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1[nH]n(CC2CCCCC2)c(=O)c1C ZINC000871944946 589834055 /nfs/dbraw/zinc/83/40/55/589834055.db2.gz UOYHTPSJMDZVQB-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN CCCCC1=NN(CC2CC2)C(=O)[C@@H]1C ZINC000871942676 589837148 /nfs/dbraw/zinc/83/71/48/589837148.db2.gz MQOYDPAWGINGGR-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN CCCCc1[nH]n(CC2CC2)c(=O)c1C ZINC000871942676 589837150 /nfs/dbraw/zinc/83/71/50/589837150.db2.gz MQOYDPAWGINGGR-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN COCCc1cc(=O)n(Cc2ccccc2C)[nH]1 ZINC000871944436 589837479 /nfs/dbraw/zinc/83/74/79/589837479.db2.gz MMFSWEYKJUNRLS-UHFFFAOYSA-N 0 1 246.310 2.120 20 0 BEADMN CCCC1=NN(c2cnccn2)C(=O)[C@@H]1CC ZINC000871944102 589837642 /nfs/dbraw/zinc/83/76/42/589837642.db2.gz XYUGIDLGPXCEFD-SECBINFHSA-N 0 1 232.287 2.006 20 0 BEADMN O=C1[C@H]2CCCCC2=NN1c1ccnc(F)c1 ZINC000871953498 589841056 /nfs/dbraw/zinc/84/10/56/589841056.db2.gz RWBVPBQJBRVHJO-VIFPVBQESA-N 0 1 233.246 2.114 20 0 BEADMN O=c1c2c([nH]n1-c1ccnc(F)c1)CCCC2 ZINC000871953498 589841058 /nfs/dbraw/zinc/84/10/58/589841058.db2.gz RWBVPBQJBRVHJO-VIFPVBQESA-N 0 1 233.246 2.114 20 0 BEADMN O=C1[C@@H]2CCCCC2=NN1c1cccc(F)n1 ZINC000871952632 589841334 /nfs/dbraw/zinc/84/13/34/589841334.db2.gz IVGMHFICHRKERH-MRVPVSSYSA-N 0 1 233.246 2.114 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953709 589842424 /nfs/dbraw/zinc/84/24/24/589842424.db2.gz ASLRGOKAERDAEI-HQJQHLMTSA-N 0 1 249.701 2.484 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc(Cl)nc2)c1=O ZINC000871954041 589842806 /nfs/dbraw/zinc/84/28/06/589842806.db2.gz JKEVBFGCJKOXGN-SECBINFHSA-N 0 1 237.690 2.484 20 0 BEADMN CC1(C)CCc2c([nH]n(CC(F)F)c2=O)C1 ZINC000871958218 589844258 /nfs/dbraw/zinc/84/42/58/589844258.db2.gz ALUGWBAUIDYDRV-ZETCQYMHSA-N 0 1 230.258 2.276 20 0 BEADMN CC1(C)CC[C@H]2C(=O)N(c3cncnc3)N=C2C1 ZINC000871960179 589844916 /nfs/dbraw/zinc/84/49/16/589844916.db2.gz VQXFREBKXPJLJP-SNVBAGLBSA-N 0 1 244.298 2.006 20 0 BEADMN CC1(C)CCc2c([nH]n(-c3cncnc3)c2=O)C1 ZINC000871960179 589844918 /nfs/dbraw/zinc/84/49/18/589844918.db2.gz VQXFREBKXPJLJP-SNVBAGLBSA-N 0 1 244.298 2.006 20 0 BEADMN CC(C)CCc1cc(=O)n(CC(C)(C)CO)[nH]1 ZINC000871959556 589845010 /nfs/dbraw/zinc/84/50/10/589845010.db2.gz NUHZFHXLWGUMHH-UHFFFAOYSA-N 0 1 240.347 2.029 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872017206 589856006 /nfs/dbraw/zinc/85/60/06/589856006.db2.gz WFVRHPGZRMMINM-RKDXNWHRSA-N 0 1 227.279 2.217 20 0 BEADMN CCc1nc(CN[C@H]2CCOC(C)(C)C2)co1 ZINC000872075213 589865141 /nfs/dbraw/zinc/86/51/41/589865141.db2.gz AIQHHQZMPDKURH-JTQLQIEISA-N 0 1 238.331 2.284 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc(O)c1F ZINC000872088784 589867523 /nfs/dbraw/zinc/86/75/23/589867523.db2.gz QSCWRUNWGHXUSH-DYLAAIIWSA-N 0 1 239.290 2.359 20 0 BEADMN CC1(C)CO[C@H](CN[C@@H]2CCCn3ccnc32)C1 ZINC000872105542 589872408 /nfs/dbraw/zinc/87/24/08/589872408.db2.gz KQDWIMLNCAGZKU-NWDGAFQWSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ncc[nH]1 ZINC000872107766 589873546 /nfs/dbraw/zinc/87/35/46/589873546.db2.gz OFAVROGEODDIMJ-FIQHERPVSA-N 0 1 235.331 2.018 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000872136355 589879423 /nfs/dbraw/zinc/87/94/23/589879423.db2.gz NCJBVHYGNFGXGT-NXEZZACHSA-N 0 1 223.320 2.292 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CC1CC(F)(F)C1 ZINC000872162035 589886971 /nfs/dbraw/zinc/88/69/71/589886971.db2.gz ARISWIOYXXWELA-UHFFFAOYSA-N 0 1 245.269 2.113 20 0 BEADMN C[C@@H](C[N@H+]1CC2CC1(C(=O)[O-])C2)C(C)(C)C ZINC000872162457 589887006 /nfs/dbraw/zinc/88/70/06/589887006.db2.gz RGIGOCBKUHDEDG-JBLZRFIASA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1C[N@@H+](CC2(C(=O)[O-])CC2)Cc2ccccc21 ZINC000872166870 589887010 /nfs/dbraw/zinc/88/70/10/589887010.db2.gz VBKGIHFXOZIXII-NSHDSACASA-N 0 1 245.322 2.471 20 0 BEADMN Cc1cc(CN)oc1-c1nc(C2(C)CC2)no1 ZINC000872183878 589889533 /nfs/dbraw/zinc/88/95/33/589889533.db2.gz OJWQLAJHYGFDHC-UHFFFAOYSA-N 0 1 233.271 2.148 20 0 BEADMN c1c(CN[C@]23CCC[C@H]2OCC3)onc1C1CC1 ZINC000872264241 589902057 /nfs/dbraw/zinc/90/20/57/589902057.db2.gz QPYZIHKDVRFHTM-KGLIPLIRSA-N 0 1 248.326 2.353 20 0 BEADMN c1cc(CN2CCC[C@H](OC3CCC3)CC2)n[nH]1 ZINC000872261259 589902095 /nfs/dbraw/zinc/90/20/95/589902095.db2.gz BJKPEGPCUWEXBE-AWEZNQCLSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@@]1(CCNCc2ccon2)C[C@@]1(F)Cl ZINC000873133121 589985479 /nfs/dbraw/zinc/98/54/79/589985479.db2.gz DMQLCXBIHBENIZ-ZJUUUORDSA-N 0 1 232.686 2.469 20 0 BEADMN c1c[nH]c(CNC2CC(Nc3ccccc3)C2)n1 ZINC000873190340 589991176 /nfs/dbraw/zinc/99/11/76/589991176.db2.gz BWMFMZDPCGEGJR-UHFFFAOYSA-N 0 1 242.326 2.142 20 0 BEADMN CC[C@@H](NCc1ccon1)[C@@H](O)c1ccccc1 ZINC000873194666 589991547 /nfs/dbraw/zinc/99/15/47/589991547.db2.gz ISNHCKZEEVMBKG-KGLIPLIRSA-N 0 1 246.310 2.276 20 0 BEADMN CCc1ncc(CNC2(C)CC(F)(F)C2)cn1 ZINC000873197810 589992216 /nfs/dbraw/zinc/99/22/16/589992216.db2.gz UKKOCUICCASJNC-UHFFFAOYSA-N 0 1 241.285 2.316 20 0 BEADMN Cc1ccccc1[C@@H](C)NCc1cnc(N)cn1 ZINC000873211480 589996503 /nfs/dbraw/zinc/99/65/03/589996503.db2.gz OQENSJVGGXGODZ-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873288491 590022597 /nfs/dbraw/zinc/02/25/97/590022597.db2.gz HBFZZTQBZONAMN-QMMMGPOBSA-N 0 1 248.305 2.290 20 0 BEADMN CC[C@H](OC(=O)c1cccc2[nH]ncc21)C(C)=O ZINC000873383068 590034969 /nfs/dbraw/zinc/03/49/69/590034969.db2.gz DUPJFIAOYCPNIG-LBPRGKRZSA-N 0 1 246.266 2.087 20 0 BEADMN CCCOC(=O)c1c2cn[nH]c2ccc1C ZINC000873489158 590049646 /nfs/dbraw/zinc/04/96/46/590049646.db2.gz ZIQBBXKNTCJCOX-UHFFFAOYSA-N 0 1 218.256 2.438 20 0 BEADMN Cc1ccc2[nH]ncc2c1C(=O)OCCCF ZINC000873488941 590049887 /nfs/dbraw/zinc/04/98/87/590049887.db2.gz YCVZSZFSLLANNN-UHFFFAOYSA-N 0 1 236.246 2.388 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H](C)c1ncc[nH]1 ZINC000124677808 590071885 /nfs/dbraw/zinc/07/18/85/590071885.db2.gz GBGUFQDDGCAVTA-ZJUUUORDSA-N 0 1 219.288 2.285 20 0 BEADMN O=C(CN1CCCC1)N1CC[C@@H]1c1ccccc1 ZINC000874035446 590086311 /nfs/dbraw/zinc/08/63/11/590086311.db2.gz VVAILDXXMYHJGJ-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000874049785 590088085 /nfs/dbraw/zinc/08/80/85/590088085.db2.gz GXVGNQPMOBGJQV-LLVKDONJSA-N 0 1 237.299 2.193 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)CN1CCCC1 ZINC000874189194 590096478 /nfs/dbraw/zinc/09/64/78/590096478.db2.gz UVJXJIGTFWRNBB-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1cccc(N(C)C(=O)CN2CCCC2)c1 ZINC000874298745 590102310 /nfs/dbraw/zinc/10/23/10/590102310.db2.gz XRCKSXIATJFMOO-UHFFFAOYSA-N 0 1 232.327 2.054 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(CCC)CC1 ZINC000874340334 590104537 /nfs/dbraw/zinc/10/45/37/590104537.db2.gz RJKJSZLBQXRTJM-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CSCC[C@H](C)NCc1cscn1 ZINC000125036549 590114564 /nfs/dbraw/zinc/11/45/64/590114564.db2.gz CFWSLXJRIUHVOU-QMMMGPOBSA-N 0 1 216.375 2.374 20 0 BEADMN C[C@@H](CN(C)C(=O)CN1CCCC1)C(C)(C)C ZINC000874592235 590117798 /nfs/dbraw/zinc/11/77/98/590117798.db2.gz NTMUWRNSJDNDCK-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)[C@@H]1CCN1C1CCCC1 ZINC000874772861 590127663 /nfs/dbraw/zinc/12/76/63/590127663.db2.gz PXBPSTBRUAKBFF-QWHCGFSZSA-N 0 1 248.370 2.062 20 0 BEADMN O=C(N[C@H]1CC12CCC2)[C@@H]1CCN1C1CCCC1 ZINC000874772862 590128076 /nfs/dbraw/zinc/12/80/76/590128076.db2.gz PXBPSTBRUAKBFF-STQMWFEESA-N 0 1 248.370 2.062 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1cccc2nc[nH]c21 ZINC000874782242 590133354 /nfs/dbraw/zinc/13/33/54/590133354.db2.gz KINHMSTWXOTMFP-LLVKDONJSA-N 0 1 241.294 2.235 20 0 BEADMN CC1(C(=O)NOc2ccccc2F)CCC1 ZINC000874911978 590155135 /nfs/dbraw/zinc/15/51/35/590155135.db2.gz PCRNMXHEDSJDPK-UHFFFAOYSA-N 0 1 223.247 2.426 20 0 BEADMN O=C(NOc1ccccc1F)[C@H]1CC12CCC2 ZINC000874912480 590155228 /nfs/dbraw/zinc/15/52/28/590155228.db2.gz YBWIPMHOEDRRMC-SECBINFHSA-N 0 1 235.258 2.426 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000125480711 590166157 /nfs/dbraw/zinc/16/61/57/590166157.db2.gz FEXAMNUAEYVGCR-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CCNC[C@@H]1C ZINC000125607099 590173284 /nfs/dbraw/zinc/17/32/84/590173284.db2.gz NRRYEYWIIMSWLD-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CCNC[C@@H]1C ZINC000125996615 590203620 /nfs/dbraw/zinc/20/36/20/590203620.db2.gz AFOQKXWIRMJUCC-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCCN(CC)Cc1cn(CCC)nn1 ZINC000876527915 590208998 /nfs/dbraw/zinc/20/89/98/590208998.db2.gz HIIXBGSTHYGXNZ-UHFFFAOYSA-N 0 1 224.352 2.310 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000876530046 590209594 /nfs/dbraw/zinc/20/95/94/590209594.db2.gz JJXJPWRKLUWFBM-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc(OC)cnc1F ZINC000876582705 590218621 /nfs/dbraw/zinc/21/86/21/590218621.db2.gz XHWKDGGOTCDWBF-SECBINFHSA-N 0 1 226.295 2.460 20 0 BEADMN CCCn1cc(CN([C@@H](C)C2CC2)C2CC2)nn1 ZINC000876598903 590220463 /nfs/dbraw/zinc/22/04/63/590220463.db2.gz REFOOKWBYRRFET-NSHDSACASA-N 0 1 248.374 2.451 20 0 BEADMN COc1cnc(F)c(CN2C[C@@H](C)[C@H](C)C2)c1 ZINC000876747411 590236914 /nfs/dbraw/zinc/23/69/14/590236914.db2.gz CHGBDSUPBZKDJX-NXEZZACHSA-N 0 1 238.306 2.317 20 0 BEADMN CCCn1cc(CN2C[C@H](C)CC[C@H]2C)nn1 ZINC000876750221 590238345 /nfs/dbraw/zinc/23/83/45/590238345.db2.gz OSNMDGIOOWXQJC-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN COc1cnc(F)c(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000876758471 590239180 /nfs/dbraw/zinc/23/91/80/590239180.db2.gz JKXNKFJUCMHNNY-UWVGGRQHSA-N 0 1 238.306 2.460 20 0 BEADMN Clc1csc(CNCC[C@H]2CCCO2)n1 ZINC000876923424 590257643 /nfs/dbraw/zinc/25/76/43/590257643.db2.gz GGWNKAFYTHBLEL-MRVPVSSYSA-N 0 1 246.763 2.455 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000876974270 590263396 /nfs/dbraw/zinc/26/33/96/590263396.db2.gz BOKUVDQTCZCOLD-WCQYABFASA-N 0 1 236.315 2.209 20 0 BEADMN C[C@H](NCc1nc(Cl)cs1)C(C)(C)O ZINC000876996514 590267097 /nfs/dbraw/zinc/26/70/97/590267097.db2.gz XPWUPAXPRYPBQU-LURJTMIESA-N 0 1 234.752 2.046 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)/C=C\C(C)(C)C ZINC000876999020 590267348 /nfs/dbraw/zinc/26/73/48/590267348.db2.gz QGWNJARAIYDJQG-ZHRWSRJISA-N 0 1 238.375 2.045 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCNC[C@H]1C(C)C ZINC000876998604 590267741 /nfs/dbraw/zinc/26/77/41/590267741.db2.gz KETGHQQCNTUVGU-SRXBQZRASA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1nc(Cl)cs1 ZINC000877024732 590270916 /nfs/dbraw/zinc/27/09/16/590270916.db2.gz MTWCXIAGBVWEPP-JGVFFNPUSA-N 0 1 248.779 2.293 20 0 BEADMN CC[C@H](CCO)NCc1nc(Cl)cs1 ZINC000877054499 590275132 /nfs/dbraw/zinc/27/51/32/590275132.db2.gz HYZWUNDSAJPPEH-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@@](C)(CCO)NCc1nc(Cl)cs1 ZINC000877089282 590281144 /nfs/dbraw/zinc/28/11/44/590281144.db2.gz MAWPSFXAAMZOFO-JTQLQIEISA-N 0 1 248.779 2.437 20 0 BEADMN CC[C@H](O)CCNCc1nc(Cl)cs1 ZINC000877111689 590287419 /nfs/dbraw/zinc/28/74/19/590287419.db2.gz MOGRCDAKFKUTDT-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN NCc1cc(C(=O)NCCC[C@@H]2C=CCC2)co1 ZINC000877309194 590311795 /nfs/dbraw/zinc/31/17/95/590311795.db2.gz IXAKKLJMMROOSW-LLVKDONJSA-N 0 1 248.326 2.215 20 0 BEADMN CCC[C@H](CN1CCC[C@@H]1c1ncc[nH]1)OC ZINC000877344728 590319071 /nfs/dbraw/zinc/31/90/71/590319071.db2.gz MYAHPWYABSYRBU-VXGBXAGGSA-N 0 1 237.347 2.362 20 0 BEADMN CCCn1cc(CN2CC[C@H](C)[C@@H]2CC)nn1 ZINC000877413013 590324525 /nfs/dbraw/zinc/32/45/25/590324525.db2.gz CJSCBQQIOVYFKU-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN O[C@H]1CC[C@@H](CNCc2nc(Cl)cs2)C1 ZINC000877469669 590330407 /nfs/dbraw/zinc/33/04/07/590330407.db2.gz XRLNTKXKINTVHL-SFYZADRCSA-N 0 1 246.763 2.047 20 0 BEADMN CC[C@]1(NCc2nc(Cl)cs2)CCOC1 ZINC000877473694 590335712 /nfs/dbraw/zinc/33/57/12/590335712.db2.gz PYXLUXWCBPOVSW-JTQLQIEISA-N 0 1 246.763 2.455 20 0 BEADMN C[C@H]1CN(CC2(C)CCCC2)C[C@H](C)S1=O ZINC000877474071 590336172 /nfs/dbraw/zinc/33/61/72/590336172.db2.gz VTCFKEQSZDVLBP-RYUDHWBXSA-N 0 1 243.416 2.408 20 0 BEADMN CC(C)SCCNCc1ccc(Cl)nn1 ZINC000877521896 590346586 /nfs/dbraw/zinc/34/65/86/590346586.db2.gz KLMWYJILEBLINU-UHFFFAOYSA-N 0 1 245.779 2.361 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](C3CC3)C2)nn1 ZINC000877535567 590350121 /nfs/dbraw/zinc/35/01/21/590350121.db2.gz QOQXOZBFUPWSKT-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN CC[C@@H](CNCc1nc(Cl)cs1)OC ZINC000877540497 590351192 /nfs/dbraw/zinc/35/11/92/590351192.db2.gz AKKNHXICABKXJP-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN CSC(C)(C)CCN(C1CC1)C1COC1 ZINC000877558068 590358998 /nfs/dbraw/zinc/35/89/98/590358998.db2.gz VOGSMZOQPCGWGB-UHFFFAOYSA-N 0 1 229.389 2.381 20 0 BEADMN CC1(C)OCC[C@H]1NCc1nc(Cl)cs1 ZINC000877562430 590360029 /nfs/dbraw/zinc/36/00/29/590360029.db2.gz ZWCMDOLVWKEOHN-SSDOTTSWSA-N 0 1 246.763 2.454 20 0 BEADMN CCc1nc(CNCC2(COC)CCC2)co1 ZINC000877571012 590361452 /nfs/dbraw/zinc/36/14/52/590361452.db2.gz QCBWMGLYHWQZNR-UHFFFAOYSA-N 0 1 238.331 2.143 20 0 BEADMN CC[C@H](NCc1nc(Cl)cs1)[C@@H](C)O ZINC000877569024 590362191 /nfs/dbraw/zinc/36/21/91/590362191.db2.gz XYJZNVWVUDZWKO-RQJHMYQMSA-N 0 1 234.752 2.046 20 0 BEADMN CCc1nc(CN[C@@H]2CS[C@H](C)C2)co1 ZINC000877569974 590362252 /nfs/dbraw/zinc/36/22/52/590362252.db2.gz BZNYPFOBAMHYCN-BDAKNGLRSA-N 0 1 226.345 2.221 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)nn1 ZINC000877593955 590369857 /nfs/dbraw/zinc/36/98/57/590369857.db2.gz KLWSGLFAAWYFCF-QJPTWQEYSA-N 0 1 236.363 2.164 20 0 BEADMN COc1cnc(F)c(CNCC2=CCCC2)c1 ZINC000877636321 590381061 /nfs/dbraw/zinc/38/10/61/590381061.db2.gz SZEUWWXPPLNZDO-UHFFFAOYSA-N 0 1 236.290 2.429 20 0 BEADMN CSC1CCN(Cc2cc(C)nn2C)CC1 ZINC000877663152 590387742 /nfs/dbraw/zinc/38/77/42/590387742.db2.gz IPJXKTVGSLXITN-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN Cc1ccc(CN2CCC(CCF)CC2)nn1 ZINC000877675453 590390651 /nfs/dbraw/zinc/39/06/51/590390651.db2.gz ZUMZSZLGDCQKJP-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN CO[C@](C)(CN1CC(OC(C)(C)C)C1)C1CC1 ZINC000877770318 590420930 /nfs/dbraw/zinc/42/09/30/590420930.db2.gz SDDZUBAMDDAUDN-CQSZACIVSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1cc(CNCC2(OC(C)C)CCC2)no1 ZINC000877808167 590426643 /nfs/dbraw/zinc/42/66/43/590426643.db2.gz XAQHMNYZCODFSN-UHFFFAOYSA-N 0 1 238.331 2.420 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)Nc1cccc(C)c1 ZINC000877897402 590441647 /nfs/dbraw/zinc/44/16/47/590441647.db2.gz JMVJGTWPARACPA-CYBMUJFWSA-N 0 1 247.342 2.211 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)Nc1ccccc1C ZINC000877897158 590442064 /nfs/dbraw/zinc/44/20/64/590442064.db2.gz FCGSGZDPOJCXTL-GFCCVEGCSA-N 0 1 247.342 2.211 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)[C@H](C)CO1 ZINC000877920270 590447135 /nfs/dbraw/zinc/44/71/35/590447135.db2.gz IKDMBNFVVSPIJN-JHJVBQTASA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H](C)CO1 ZINC000877920852 590447763 /nfs/dbraw/zinc/44/77/63/590447763.db2.gz YTOBZSDISNNXHF-DGTMBMJNSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1ccc(C[N@H+](C)CC[C@H](O)C(C)C)o1 ZINC000877934028 590450702 /nfs/dbraw/zinc/45/07/02/590450702.db2.gz ZDDDSSPVFNKUFE-ZDUSSCGKSA-N 0 1 225.332 2.427 20 0 BEADMN CC[C@H]1CN(C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000877957243 590457869 /nfs/dbraw/zinc/45/78/69/590457869.db2.gz HSWSYRCQBVNHHG-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN C=C/C=C\CCN1CCN(CC(F)F)CC1 ZINC000878016640 590472585 /nfs/dbraw/zinc/47/25/85/590472585.db2.gz PYGFPRPYOVASGM-ARJAWSKDSA-N 0 1 230.302 2.001 20 0 BEADMN Cc1cccnc1NC(=O)CN1CCCC1(C)C ZINC000878047370 590481123 /nfs/dbraw/zinc/48/11/23/590481123.db2.gz FCGGBWFFEYDWGO-UHFFFAOYSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1conc1CN(CCCO)CC(C)(C)C ZINC000878082720 590488549 /nfs/dbraw/zinc/48/85/49/590488549.db2.gz XSJXHYVNAULEEO-UHFFFAOYSA-N 0 1 240.347 2.214 20 0 BEADMN C[C@@H]1CN(CC(=O)Nc2ccccn2)C(C)(C)C1 ZINC000878158472 590509574 /nfs/dbraw/zinc/50/95/74/590509574.db2.gz HRHZYUCIUWIRMS-NSHDSACASA-N 0 1 247.342 2.141 20 0 BEADMN Cc1conc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000878252346 590529395 /nfs/dbraw/zinc/52/93/95/590529395.db2.gz JKHXGGSSYQEONT-NSHDSACASA-N 0 1 246.314 2.086 20 0 BEADMN CCN(C(=O)c1cc(C(F)F)[nH]n1)C(C)C ZINC000878347539 590553089 /nfs/dbraw/zinc/55/30/89/590553089.db2.gz NBICWKRTRGUOMI-UHFFFAOYSA-N 0 1 231.246 2.218 20 0 BEADMN C=C/C=C\CCN(CC(=O)OC)[C@@H](C)CC ZINC000878549109 590590818 /nfs/dbraw/zinc/59/08/18/590590818.db2.gz AOJPGNLKASRTBM-KRZKBDHCSA-N 0 1 225.332 2.392 20 0 BEADMN C(C1CC2(CCC2)C1)N1CCOCC12CC2 ZINC000878567442 590592789 /nfs/dbraw/zinc/59/27/89/590592789.db2.gz OIVPNQIFYBJVAV-UHFFFAOYSA-N 0 1 221.344 2.432 20 0 BEADMN C=C/C=C/CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000878645348 590600596 /nfs/dbraw/zinc/60/05/96/590600596.db2.gz JVLFGJCSPOPFRG-MLRMMBSGSA-N 0 1 223.316 2.145 20 0 BEADMN CC(C)N(C[C@@H]1CCC2(CCC2)O1)C1COC1 ZINC000878659040 590603892 /nfs/dbraw/zinc/60/38/92/590603892.db2.gz YQGVRIWVTRABGB-ZDUSSCGKSA-N 0 1 239.359 2.197 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878668175 590607067 /nfs/dbraw/zinc/60/70/67/590607067.db2.gz NTZSSPAXIZQTEP-SNPRPXQTSA-N 0 1 246.354 2.471 20 0 BEADMN C=C/C=C\CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000878683495 590609341 /nfs/dbraw/zinc/60/93/41/590609341.db2.gz ZNWARRLJERZLCI-OGZRUICASA-N 0 1 241.400 2.352 20 0 BEADMN COC1([C@@H](C)NCc2nocc2C)CCC1 ZINC000878711446 590613472 /nfs/dbraw/zinc/61/34/72/590613472.db2.gz OTDHZNWBYAWGEV-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1nocc1C)C1CC1 ZINC000878708988 590614032 /nfs/dbraw/zinc/61/40/32/590614032.db2.gz CMDFBRGVKVIWJN-ZWNOBZJWSA-N 0 1 238.331 2.276 20 0 BEADMN CC1(C)OC[C@@H](CCN2CCC=C(Cl)C2)O1 ZINC000878790678 590621036 /nfs/dbraw/zinc/62/10/36/590621036.db2.gz RJYNJHMWNQWPGH-LLVKDONJSA-N 0 1 245.750 2.356 20 0 BEADMN ClC1=CCCN(CC[C@@H]2CCCO2)C1 ZINC000878792156 590623299 /nfs/dbraw/zinc/62/32/99/590623299.db2.gz XHDLMLUSOKLUSQ-NSHDSACASA-N 0 1 215.724 2.384 20 0 BEADMN CN(CC[C@H]1CCOC1)Cc1ccns1 ZINC000878898869 590643357 /nfs/dbraw/zinc/64/33/57/590643357.db2.gz AWQXTFDFLJHNBW-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)C1CCC1 ZINC000878983191 590668397 /nfs/dbraw/zinc/66/83/97/590668397.db2.gz IKBJDNXYWNFDOP-ZANVPECISA-N 0 1 247.342 2.087 20 0 BEADMN C=C/C=C\CCN1CCO[C@](C)(C(F)F)C1 ZINC000879009393 590676837 /nfs/dbraw/zinc/67/68/37/590676837.db2.gz XADNKZFJSOVOHM-RXNFCKPNSA-N 0 1 231.286 2.475 20 0 BEADMN COc1cccc2c1CN(C[C@H]1C[C@@H](OC)C1)C2 ZINC000879053404 590688856 /nfs/dbraw/zinc/68/88/56/590688856.db2.gz CJOCOJBXBMKOJD-BJHJDKERSA-N 0 1 247.338 2.436 20 0 BEADMN CCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879218829 590716466 /nfs/dbraw/zinc/71/64/66/590716466.db2.gz RSUXVLDSPUAZNT-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)NCCN1CCC1 ZINC000879270557 590726226 /nfs/dbraw/zinc/72/62/26/590726226.db2.gz RSGBCNQYHUYKBN-GXTWGEPZSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2ccncc2F)C1 ZINC000879327212 590748137 /nfs/dbraw/zinc/74/81/37/590748137.db2.gz VMXIQXLGDKPHQI-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN COC(=O)C12CCC(CC1)N2CCCC1CC1 ZINC000879329471 590750013 /nfs/dbraw/zinc/75/00/13/590750013.db2.gz VSJGHKWLNUTNJI-UHFFFAOYSA-N 0 1 237.343 2.347 20 0 BEADMN CC(C)(NCc1ccno1)[C@H]1CCCCO1 ZINC000879407295 590763068 /nfs/dbraw/zinc/76/30/68/590763068.db2.gz NUFHOVSEMNYHPH-LLVKDONJSA-N 0 1 224.304 2.112 20 0 BEADMN O=C1OCC[C@H]1N1CCC[C@@H](C2CCC2)CC1 ZINC000879426657 590766939 /nfs/dbraw/zinc/76/69/39/590766939.db2.gz OGHJJCYTTRBLPE-CHWSQXEVSA-N 0 1 237.343 2.204 20 0 BEADMN COc1cccc([C@@H]2C[N@@H+](CC(C)C)CCN2)c1 ZINC000879526014 590790002 /nfs/dbraw/zinc/79/00/02/590790002.db2.gz HNUFSWVIEPTCSV-HNNXBMFYSA-N 0 1 248.370 2.298 20 0 BEADMN CC(C)C[C@@H](O)CN[C@@H](C)c1cscn1 ZINC000127837343 590796974 /nfs/dbraw/zinc/79/69/74/590796974.db2.gz DBMOTVSABWUTEA-VHSXEESVSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1csc([C@H]2CCN(CCF)C2)n1 ZINC000880009854 590908079 /nfs/dbraw/zinc/90/80/79/590908079.db2.gz QKVOEESKWDAMDG-VIFPVBQESA-N 0 1 214.309 2.210 20 0 BEADMN Cc1csc([C@H]2CCN(Cc3c[nH]cn3)C2)n1 ZINC000880009011 590908665 /nfs/dbraw/zinc/90/86/65/590908665.db2.gz IFRKOSFZHSZXPF-JTQLQIEISA-N 0 1 248.355 2.164 20 0 BEADMN CCC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000880176359 590950376 /nfs/dbraw/zinc/95/03/76/590950376.db2.gz PXMHYDPNUVKQIK-SKDRFNHKSA-N 0 1 247.342 2.134 20 0 BEADMN C[C@@H](CC(=O)Nc1cccc2[nH]nnc21)C1CC1 ZINC000880195753 590956385 /nfs/dbraw/zinc/95/63/85/590956385.db2.gz VHKLSGUORBPFFS-QMMMGPOBSA-N 0 1 244.298 2.333 20 0 BEADMN CC(=CC(=O)Nc1cccc2[nH]nnc21)C1CC1 ZINC000880194656 590956794 /nfs/dbraw/zinc/95/67/94/590956794.db2.gz ASIRMCKEDBOXOU-FPLPWBNLSA-N 0 1 242.282 2.253 20 0 BEADMN Cc1cc(CN2CCC[C@H](CF)C2)on1 ZINC000880236202 590966931 /nfs/dbraw/zinc/96/69/31/590966931.db2.gz XHMJEMABFKXHHX-SNVBAGLBSA-N 0 1 212.268 2.165 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@@H](CF)C2)n[nH]1 ZINC000880237998 590969766 /nfs/dbraw/zinc/96/97/66/590969766.db2.gz MLJDAPZEFNXIIR-UWVGGRQHSA-N 0 1 240.326 2.110 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@@H](CF)C2)n[nH]1 ZINC000880238000 590970243 /nfs/dbraw/zinc/97/02/43/590970243.db2.gz MLJDAPZEFNXIIR-ZJUUUORDSA-N 0 1 240.326 2.110 20 0 BEADMN CCOc1ccc(CN2CCC(F)CC2)nc1 ZINC000880242358 590974908 /nfs/dbraw/zinc/97/49/08/590974908.db2.gz WBHGPSDNFWZANR-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880242642 590975736 /nfs/dbraw/zinc/97/57/36/590975736.db2.gz GKBORTGDQXKMJD-SNVBAGLBSA-N 0 1 244.354 2.114 20 0 BEADMN CCCCCNC(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880243417 590976753 /nfs/dbraw/zinc/97/67/53/590976753.db2.gz ZGCMBAIIUYFOKB-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN FC[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000880298861 590992662 /nfs/dbraw/zinc/99/26/62/590992662.db2.gz LNBYECPXFGTGQQ-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN CC(C)Oc1cccc(CN2CC=C[C@H]2CO)c1 ZINC000880485068 591057917 /nfs/dbraw/zinc/05/79/17/591057917.db2.gz DMZSIZIRFSPISX-AWEZNQCLSA-N 0 1 247.338 2.207 20 0 BEADMN CC(C)Oc1ccc(CN2CC=C[C@H]2CO)cc1 ZINC000880485133 591059675 /nfs/dbraw/zinc/05/96/75/591059675.db2.gz BEWJTRLOBOBASO-AWEZNQCLSA-N 0 1 247.338 2.207 20 0 BEADMN CSc1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880485912 591060194 /nfs/dbraw/zinc/06/01/94/591060194.db2.gz LWEOKLATZBOKJI-GFCCVEGCSA-N 0 1 235.352 2.141 20 0 BEADMN Cc1cc(Cl)ccc1CN1CC=C[C@@H]1CO ZINC000880489761 591065684 /nfs/dbraw/zinc/06/56/84/591065684.db2.gz YCNPVUKSEVYZDN-CYBMUJFWSA-N 0 1 237.730 2.381 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)C/C=C(\C)C(=O)[O-] ZINC000211256731 591150362 /nfs/dbraw/zinc/15/03/62/591150362.db2.gz IFJHBWSGFQGDKM-VUBLIPMDSA-N 0 1 213.321 2.385 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211324739 591159906 /nfs/dbraw/zinc/15/99/06/591159906.db2.gz ZMUFSBJVUVOUFM-IYNCYZAOSA-N 0 1 238.114 2.102 20 0 BEADMN C[C@@H](NCC[S@@](C)=O)c1ccccc1Cl ZINC000129410502 591292926 /nfs/dbraw/zinc/29/29/26/591292926.db2.gz ZBIPOWSRPMGHOB-PSLIRLAXSA-N 0 1 245.775 2.369 20 0 BEADMN Cc1cc(NC(=O)[C@@H]2CCCN2C)cc(O)c1C ZINC000882119828 591301142 /nfs/dbraw/zinc/30/11/42/591301142.db2.gz NLJQXVVALBHOCD-LBPRGKRZSA-N 0 1 248.326 2.042 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC000882478768 591355968 /nfs/dbraw/zinc/35/59/68/591355968.db2.gz DNPNGSKJQVZTSW-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC000882478767 591356608 /nfs/dbraw/zinc/35/66/08/591356608.db2.gz DNPNGSKJQVZTSW-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C(CC)(CC)CC ZINC000882489143 591365642 /nfs/dbraw/zinc/36/56/42/591365642.db2.gz MSKGHACMXZLGHE-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@H]1CCC[C@@H]1C ZINC000882489565 591366205 /nfs/dbraw/zinc/36/62/05/591366205.db2.gz DLYYHRMDPZNFAD-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1ccccc1C(=O)NC[C@@H]1CCN1CC ZINC000882489157 591366220 /nfs/dbraw/zinc/36/62/20/591366220.db2.gz NFLJJCYKGFMVTQ-ZDUSSCGKSA-N 0 1 246.354 2.073 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC000882490893 591370190 /nfs/dbraw/zinc/37/01/90/591370190.db2.gz YWCMMODSABZIAA-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000882492183 591372956 /nfs/dbraw/zinc/37/29/56/591372956.db2.gz PZGUZPPAXKPLFN-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@](C)(CC)C(=O)NC[C@H]1CCN1CC ZINC000882492798 591373516 /nfs/dbraw/zinc/37/35/16/591373516.db2.gz SEAYHVBUVVQPGF-OCCSQVGLSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NC[C@@H]1CCN1CC ZINC000882495356 591373834 /nfs/dbraw/zinc/37/38/34/591373834.db2.gz XTFNBCNSGTVRBL-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CCCCC(C)C ZINC000882494042 591376298 /nfs/dbraw/zinc/37/62/98/591376298.db2.gz NKTJBTDCFXTJHA-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CCc1ccc(NC(=O)[C@H](C(C)C)N(C)C)nc1 ZINC000882719088 591420650 /nfs/dbraw/zinc/42/06/50/591420650.db2.gz ZUNMYPPYGCHNFN-ZDUSSCGKSA-N 0 1 249.358 2.169 20 0 BEADMN CCc1cc(CNCc2nc(C(C)C)c[nH]2)n[nH]1 ZINC000882997373 591499859 /nfs/dbraw/zinc/49/98/59/591499859.db2.gz LNTZRCCRMQVABC-UHFFFAOYSA-N 0 1 247.346 2.108 20 0 BEADMN CC[C@@H](O)CCCNCc1nc(C(C)C)c[nH]1 ZINC000883017634 591516210 /nfs/dbraw/zinc/51/62/10/591516210.db2.gz UEHKSJOUUQRAQJ-LLVKDONJSA-N 0 1 239.363 2.174 20 0 BEADMN COC[C@@H](NCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883074451 591535512 /nfs/dbraw/zinc/53/55/12/591535512.db2.gz YFBYAVUTOGZPQX-GFCCVEGCSA-N 0 1 237.347 2.048 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@H](C)O2)n1 ZINC000883140546 591550499 /nfs/dbraw/zinc/55/04/99/591550499.db2.gz WVJGUSLATXGUNG-QWRGUYRKSA-N 0 1 237.347 2.190 20 0 BEADMN C[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1ncc[nH]1 ZINC000883249540 591590952 /nfs/dbraw/zinc/59/09/52/591590952.db2.gz JLRQKAPSFNDSIJ-MNOVXSKESA-N 0 1 237.347 2.266 20 0 BEADMN CCC[C@@H](C)CCNCc1cnn(CC)n1 ZINC000883250729 591591268 /nfs/dbraw/zinc/59/12/68/591591268.db2.gz LCWVGJKABNVTBY-LLVKDONJSA-N 0 1 224.352 2.214 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000214549667 591609021 /nfs/dbraw/zinc/60/90/21/591609021.db2.gz FLMRPQKXUGCTIY-VUUNSECVSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCOC2)c(Cl)n1 ZINC000883301560 591609989 /nfs/dbraw/zinc/60/99/89/591609989.db2.gz CSELXQAMNQDGLJ-LLVKDONJSA-N 0 1 240.734 2.312 20 0 BEADMN COCCC[C@H](C)NC1(c2ncccn2)CCC1 ZINC000883313202 591611879 /nfs/dbraw/zinc/61/18/79/591611879.db2.gz YORFMEYFJRWGOL-LBPRGKRZSA-N 0 1 249.358 2.261 20 0 BEADMN C[C@@H]1OCC[C@H]1NCc1cc(O)ccc1Cl ZINC000883325129 591615993 /nfs/dbraw/zinc/61/59/93/591615993.db2.gz PFLQWUWGBBPQRH-QPUJVOFHSA-N 0 1 241.718 2.313 20 0 BEADMN Oc1ccc(Cl)c(CN[C@H]2CCCOC2)c1 ZINC000883326123 591616574 /nfs/dbraw/zinc/61/65/74/591616574.db2.gz SWCJVCXCWBSOMW-JTQLQIEISA-N 0 1 241.718 2.314 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CC1)N1CCCCC1 ZINC000131568681 591622980 /nfs/dbraw/zinc/62/29/80/591622980.db2.gz RADFWRXDJQIWSM-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H](C(=O)OCC1CC1)N1CCCCCC1 ZINC000131579848 591623946 /nfs/dbraw/zinc/62/39/46/591623946.db2.gz ZELSTLIMZVOZOD-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ncc[nH]1 ZINC000883357338 591627531 /nfs/dbraw/zinc/62/75/31/591627531.db2.gz JKBOXFBEKNWDIJ-GHMZBOCLSA-N 0 1 235.331 2.162 20 0 BEADMN CCN1CC[C@@H]1CNCc1nc2ccccc2o1 ZINC000883358648 591628896 /nfs/dbraw/zinc/62/88/96/591628896.db2.gz OUHWDKMGKJDDIQ-LLVKDONJSA-N 0 1 245.326 2.012 20 0 BEADMN C/C(=C\C[N@@H+]1CCCCC[C@@H]1C)C(=O)[O-] ZINC000214563974 591634581 /nfs/dbraw/zinc/63/45/81/591634581.db2.gz LHIKVUCKUQGWAM-HUYFXPKMSA-N 0 1 211.305 2.282 20 0 BEADMN F[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCOC1 ZINC000883376415 591636826 /nfs/dbraw/zinc/63/68/26/591636826.db2.gz KEXXROXJMBZRNE-BNOWGMLFSA-N 0 1 235.302 2.391 20 0 BEADMN C[C@@H](C[N@@H+](C)CC[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000883408505 591651841 /nfs/dbraw/zinc/65/18/41/591651841.db2.gz YPUIRLUYAWMOSY-VHSXEESVSA-N 0 1 249.301 2.464 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1cccnc1Cl ZINC000131900816 591675686 /nfs/dbraw/zinc/67/56/86/591675686.db2.gz FMHQXOKXVREPFZ-RKDXNWHRSA-N 0 1 228.723 2.421 20 0 BEADMN CCNCc1nc(-c2ccc(F)cc2C)no1 ZINC000132473575 591711283 /nfs/dbraw/zinc/71/12/83/591711283.db2.gz VELFHHSDVIBAEA-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN C/C(=C/C[N@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000214715248 591738251 /nfs/dbraw/zinc/73/82/51/591738251.db2.gz JORVMACJZCTMEK-MBXJOHMKSA-N 0 1 237.324 2.137 20 0 BEADMN CCn1cc(CN2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000884002750 591791974 /nfs/dbraw/zinc/79/19/74/591791974.db2.gz YIUCWIUTXKTILE-YPMHNXCESA-N 0 1 234.347 2.063 20 0 BEADMN CC[S@@](=O)CCN[C@@H](C)c1ccccc1F ZINC000133453501 591797938 /nfs/dbraw/zinc/79/79/38/591797938.db2.gz CEYAJCWFPCAFDW-QFYYESIMSA-N 0 1 243.347 2.245 20 0 BEADMN Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000215481221 591949186 /nfs/dbraw/zinc/94/91/86/591949186.db2.gz XJEBFNNXJFHMCM-GXTWGEPZSA-N 0 1 247.338 2.456 20 0 BEADMN CCCCN(CC)CN1C[C@@H](C2CC2)CC1=O ZINC000134744995 591949211 /nfs/dbraw/zinc/94/92/11/591949211.db2.gz IPKYOCMXGZNTTP-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1coc2ccccc12 ZINC000135174017 591994531 /nfs/dbraw/zinc/99/45/31/591994531.db2.gz LZYZUBJCJXYCFM-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN CC(C)CONC(=O)[C@@H]1Cc2ccccc21 ZINC000135342571 592008624 /nfs/dbraw/zinc/00/86/24/592008624.db2.gz XRCOEGXGPVQTLS-GFCCVEGCSA-N 0 1 219.284 2.030 20 0 BEADMN CC(C)OC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885260063 592061236 /nfs/dbraw/zinc/06/12/36/592061236.db2.gz CGJIBVLGXSSVCF-GZMMTYOYSA-N 0 1 222.288 2.027 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@H]1C(C)C)C(=O)[O-] ZINC000216646372 592063389 /nfs/dbraw/zinc/06/33/89/592063389.db2.gz IXFCIXKWHOROLB-RUYJGKKWSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)OC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000885878827 592105054 /nfs/dbraw/zinc/10/50/54/592105054.db2.gz SBUFGJWNSGJTGE-MRVPVSSYSA-N 0 1 222.288 2.100 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)OCC3CC3)c2C1 ZINC000885884729 592105936 /nfs/dbraw/zinc/10/59/36/592105936.db2.gz LLQXHJRTTCDPKD-QMMMGPOBSA-N 0 1 234.299 2.101 20 0 BEADMN CC1(C)CN(C[C@@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000885931373 592109823 /nfs/dbraw/zinc/10/98/23/592109823.db2.gz SNGIXPLASRRMTA-STQMWFEESA-N 0 1 239.359 2.055 20 0 BEADMN Cc1ccc(CN(C)C[C@@](C)(O)C(F)F)o1 ZINC000885944020 592111388 /nfs/dbraw/zinc/11/13/88/592111388.db2.gz JGCADTCPKYFDNC-LLVKDONJSA-N 0 1 233.258 2.036 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@H]1C[C@@]12CCOC2 ZINC000885941046 592111564 /nfs/dbraw/zinc/11/15/64/592111564.db2.gz YQUQGIQGBNHZMA-UMVBOHGHSA-N 0 1 246.354 2.291 20 0 BEADMN C[C@H]1CN(CCSC(F)(F)F)CCCO1 ZINC000885982279 592120684 /nfs/dbraw/zinc/12/06/84/592120684.db2.gz ZAVRBLOJNBPDKN-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1coc(CNC[C@@H](O)c2ccc(C)o2)c1 ZINC000885997122 592125389 /nfs/dbraw/zinc/12/53/89/592125389.db2.gz PTPYZSQSJPRJCH-GFCCVEGCSA-N 0 1 235.283 2.313 20 0 BEADMN Cc1coc(CNC[C@H](O)c2ccc(C)o2)c1 ZINC000885997123 592125565 /nfs/dbraw/zinc/12/55/65/592125565.db2.gz PTPYZSQSJPRJCH-LBPRGKRZSA-N 0 1 235.283 2.313 20 0 BEADMN CCCn1cc(NCc2n[nH]c(C)c2C)cn1 ZINC000886025754 592134996 /nfs/dbraw/zinc/13/49/96/592134996.db2.gz JFOQTRMCXPYEBR-UHFFFAOYSA-N 0 1 233.319 2.245 20 0 BEADMN C[N@H+](Cc1nccs1)C[C@H]1C[C@@]12CCOC2 ZINC000886030981 592136359 /nfs/dbraw/zinc/13/63/59/592136359.db2.gz YVXGRKNOYZZYCB-ZYHUDNBSSA-N 0 1 238.356 2.002 20 0 BEADMN CN(Cc1nccs1)C[C@H]1C[C@@]12CCOC2 ZINC000886030981 592136360 /nfs/dbraw/zinc/13/63/60/592136360.db2.gz YVXGRKNOYZZYCB-ZYHUDNBSSA-N 0 1 238.356 2.002 20 0 BEADMN Cc1n[nH]c(CN[C@@H](C)c2ccc[nH]2)c1C ZINC000886049075 592139779 /nfs/dbraw/zinc/13/97/79/592139779.db2.gz FRJRFLZFNCRIQG-JTQLQIEISA-N 0 1 218.304 2.205 20 0 BEADMN Cc1cn[nH]c1CN(C)OCc1ccccc1 ZINC000886084318 592145515 /nfs/dbraw/zinc/14/55/15/592145515.db2.gz VPKWGWHUUKLQRI-UHFFFAOYSA-N 0 1 231.299 2.282 20 0 BEADMN Cc1[nH]nc(CNc2cncc(F)c2)c1C ZINC000886104938 592155843 /nfs/dbraw/zinc/15/58/43/592155843.db2.gz OPABZEVXGAHIEL-UHFFFAOYSA-N 0 1 220.251 2.173 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000218456921 592156665 /nfs/dbraw/zinc/15/66/65/592156665.db2.gz LLPLVLYYCVYBPR-LGIFSFGNSA-N 0 1 231.723 2.316 20 0 BEADMN CO[C@@H]1CCC[C@@H](NC(CF)CF)CC1 ZINC000886129623 592160071 /nfs/dbraw/zinc/16/00/71/592160071.db2.gz JVNCLEQANXKXJH-MWLCHTKSSA-N 0 1 221.291 2.231 20 0 BEADMN O=C1OCC[C@@]12CCCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000886147068 592163303 /nfs/dbraw/zinc/16/33/03/592163303.db2.gz IOUSZGKQXQVULW-IPYPFGDCSA-N 0 1 249.354 2.204 20 0 BEADMN Cc1[nH]nc(CNc2nn(C)cc2Cl)c1C ZINC000886188332 592172672 /nfs/dbraw/zinc/17/26/72/592172672.db2.gz PPFGDUBUXWNOHH-UHFFFAOYSA-N 0 1 239.710 2.026 20 0 BEADMN CC(C)N(CCSC(F)(F)F)C1COC1 ZINC000886220824 592179956 /nfs/dbraw/zinc/17/99/56/592179956.db2.gz NJDFUUGQVCEKMM-UHFFFAOYSA-N 0 1 243.294 2.349 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ccn(C)n1 ZINC000886243010 592183479 /nfs/dbraw/zinc/18/34/79/592183479.db2.gz LUBOEGKJWXSNBK-VHRBIJSZSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H](NC[C@H]1CCSC1)c1ncco1 ZINC000886272237 592192580 /nfs/dbraw/zinc/19/25/80/592192580.db2.gz KSCOZCNFUJQGDE-RKDXNWHRSA-N 0 1 212.318 2.078 20 0 BEADMN C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ncco1 ZINC000886272692 592192808 /nfs/dbraw/zinc/19/28/08/592192808.db2.gz ZBVZVMOZCIKTFP-NXEZZACHSA-N 0 1 224.304 2.283 20 0 BEADMN C[C@H](N[C@H]1CCOC(C)(C)C1)c1ncco1 ZINC000886272693 592192886 /nfs/dbraw/zinc/19/28/86/592192886.db2.gz ZBVZVMOZCIKTFP-UWVGGRQHSA-N 0 1 224.304 2.283 20 0 BEADMN CCc1cc(CN[C@@H]2CCc3cccnc32)[nH]n1 ZINC000886526652 592245583 /nfs/dbraw/zinc/24/55/83/592245583.db2.gz PJCUADQYVBUPRQ-CYBMUJFWSA-N 0 1 242.326 2.144 20 0 BEADMN Cc1cccc(CCN[C@H](C)c2ncco2)n1 ZINC000886538461 592252897 /nfs/dbraw/zinc/25/28/97/592252897.db2.gz ILJCFHHXDRAPQZ-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN CCCCC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886591381 592270345 /nfs/dbraw/zinc/27/03/45/592270345.db2.gz SQUXKWPRUBYUMX-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886589596 592271374 /nfs/dbraw/zinc/27/13/74/592271374.db2.gz ZVDXWMROMWBPBZ-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000220270424 592296336 /nfs/dbraw/zinc/29/63/36/592296336.db2.gz GIMHJFRGOXXEOU-NXSJDDFASA-N 0 1 231.723 2.458 20 0 BEADMN COC(C)(C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000886684901 592301922 /nfs/dbraw/zinc/30/19/22/592301922.db2.gz VNIXDPQUIRZFII-VIFPVBQESA-N 0 1 238.331 2.455 20 0 BEADMN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ncc[nH]1 ZINC000139049464 592354880 /nfs/dbraw/zinc/35/48/80/592354880.db2.gz SUJQWFHDHWAXPB-ZANVPECISA-N 0 1 242.326 2.330 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N(C)CCCF ZINC000887137485 592450874 /nfs/dbraw/zinc/45/08/74/592450874.db2.gz JNURMVFSHVNSPJ-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN CN(CCCF)Cc1ccnc(F)c1 ZINC000887142640 592456461 /nfs/dbraw/zinc/45/64/61/592456461.db2.gz UFWDGKGPNHRRIA-UHFFFAOYSA-N 0 1 200.232 2.012 20 0 BEADMN CN(CCCF)Cc1cnn(C(C)(C)C)c1 ZINC000887142697 592459204 /nfs/dbraw/zinc/45/92/04/592459204.db2.gz WVPKQGJXZGLANS-UHFFFAOYSA-N 0 1 227.327 2.430 20 0 BEADMN CCC1=NN(C2CCSCC2)C(=O)[C@H]1C ZINC000887292984 592477168 /nfs/dbraw/zinc/47/71/68/592477168.db2.gz NXHWUVLZDVZOIM-QMMMGPOBSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n(C2CCSCC2)c(=O)c1C ZINC000887292984 592477171 /nfs/dbraw/zinc/47/71/71/592477171.db2.gz NXHWUVLZDVZOIM-QMMMGPOBSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1cc(=O)n([C@@H]2CC(C)(C)OC2(C)C)[nH]1 ZINC000887296423 592477894 /nfs/dbraw/zinc/47/78/94/592477894.db2.gz BKVDBLBTFBCQOH-SNVBAGLBSA-N 0 1 238.331 2.331 20 0 BEADMN CC1=NN([C@@H]2CC(C)(C)OC2(C)C)C(=O)[C@@H]1C ZINC000887296477 592478391 /nfs/dbraw/zinc/47/83/91/592478391.db2.gz CWZBLRPAXPJPIB-PSASIEDQSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1[nH]n([C@@H]2CC(C)(C)OC2(C)C)c(=O)c1C ZINC000887296477 592478393 /nfs/dbraw/zinc/47/83/93/592478393.db2.gz CWZBLRPAXPJPIB-PSASIEDQSA-N 0 1 238.331 2.187 20 0 BEADMN CCC1=NN([C@H]2CCCSC2)C(=O)[C@H]1C ZINC000887298983 592478489 /nfs/dbraw/zinc/47/84/89/592478489.db2.gz MLJMFFHOHJKQPY-IUCAKERBSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n([C@H]2CCCSC2)c(=O)c1C ZINC000887298983 592478490 /nfs/dbraw/zinc/47/84/90/592478490.db2.gz MLJMFFHOHJKQPY-IUCAKERBSA-N 0 1 226.345 2.126 20 0 BEADMN Cn1cnc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000300415856 592511546 /nfs/dbraw/zinc/51/15/46/592511546.db2.gz ZVCMUURRHFCHMJ-RWMBFGLXSA-N 0 1 248.374 2.264 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738889493 602451702 /nfs/dbraw/zinc/45/17/02/602451702.db2.gz IZLXORUZVMNTCD-GHMZBOCLSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@H](CNC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000739257381 602665386 /nfs/dbraw/zinc/66/53/86/602665386.db2.gz FMQLRHKRNFOMLA-CYBMUJFWSA-N 0 1 248.326 2.091 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[O-])C1 ZINC000739089391 602668598 /nfs/dbraw/zinc/66/85/98/602668598.db2.gz KRCGFIKINQIRIY-AXFHLTTASA-N 0 1 226.320 2.002 20 0 BEADMN C[C@@H](c1ccccc1F)[N@@H+](C)CCNC(=O)[O-] ZINC000739061721 603083230 /nfs/dbraw/zinc/08/32/30/603083230.db2.gz YHARRSYHPUHWQS-VIFPVBQESA-N 0 1 240.278 2.086 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000251848179 597057052 /nfs/dbraw/zinc/05/70/52/597057052.db2.gz RDMRBGFOUGFXBP-VHSXEESVSA-N 0 1 219.284 2.079 20 0 BEADMN CC[N@@H+](CCc1ccccc1F)[C@H](C)C(=O)[O-] ZINC000739439729 597074163 /nfs/dbraw/zinc/07/41/63/597074163.db2.gz QLPDYHCLQRDXSU-SNVBAGLBSA-N 0 1 239.290 2.163 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000228757824 597074544 /nfs/dbraw/zinc/07/45/44/597074544.db2.gz DIIHZSZDTFVLPC-RYUDHWBXSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000740481438 597120514 /nfs/dbraw/zinc/12/05/14/597120514.db2.gz ONWSTBCNWUJLFQ-UHFFFAOYSA-N 0 1 237.299 2.499 20 0 BEADMN CCC[C@@]1(C)CCC[N@@H+](CCC(=O)[O-])C1 ZINC000236988692 597239918 /nfs/dbraw/zinc/23/99/18/597239918.db2.gz RLKKFBQTNACWGW-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000709692193 597731453 /nfs/dbraw/zinc/73/14/53/597731453.db2.gz ANBKLDHJMOMEOF-GXSJLCMTSA-N 0 1 239.340 2.086 20 0 BEADMN C[C@H](c1ccccn1)[N@@H+](C)CCCCC(=O)[O-] ZINC000719391632 597801450 /nfs/dbraw/zinc/80/14/50/597801450.db2.gz AOUQQEVHAMTWMJ-LLVKDONJSA-N 0 1 236.315 2.329 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1C ZINC000086789406 598128943 /nfs/dbraw/zinc/12/89/43/598128943.db2.gz PBJMBPVPXSHOGI-ZDUSSCGKSA-N 0 1 233.311 2.210 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000086756374 598131548 /nfs/dbraw/zinc/13/15/48/598131548.db2.gz UPLOEHKJWIGFMA-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCc2ccsc2)c1 ZINC000063147112 598218973 /nfs/dbraw/zinc/21/89/73/598218973.db2.gz RHGITIQDVIBIMI-UHFFFAOYSA-N 0 1 234.280 2.453 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000038027651 599755101 /nfs/dbraw/zinc/75/51/01/599755101.db2.gz XNTIDOYWAGMTTK-HYYFJVDXSA-N 0 1 217.696 2.068 20 0 BEADMN Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)[O-])s1 ZINC000082250111 600111346 /nfs/dbraw/zinc/11/13/46/600111346.db2.gz QNNAKUUDWSZKFQ-MRVPVSSYSA-N 0 1 242.344 2.227 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1F)C(C)(C)C(=O)[O-] ZINC000061171887 600134024 /nfs/dbraw/zinc/13/40/24/600134024.db2.gz DRSLRKPDRMQINP-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1[nH+]ccn1CCCS[C@H](C)CC(=O)[O-] ZINC000699503257 600584421 /nfs/dbraw/zinc/58/44/21/600584421.db2.gz IMUTWURODGIBIA-SECBINFHSA-N 0 1 242.344 2.178 20 0 BEADMN Cc1[nH+]cn(Cc2cc(C(=O)[O-])c(C)o2)c1C ZINC000051926169 600612322 /nfs/dbraw/zinc/61/23/22/600612322.db2.gz PGXQBDKNAJVNOE-UHFFFAOYSA-N 0 1 234.255 2.148 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000070499505 600627189 /nfs/dbraw/zinc/62/71/89/600627189.db2.gz IUYQTBRCNRSWFE-LLVKDONJSA-N 0 1 247.338 2.328 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)[O-])[C@H](c2ccco2)C1 ZINC000309751817 600862095 /nfs/dbraw/zinc/86/20/95/600862095.db2.gz KRVXPBAFNKBUGT-UWVGGRQHSA-N 0 1 223.272 2.137 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@H]1C ZINC000308858123 601116839 /nfs/dbraw/zinc/11/68/39/601116839.db2.gz QPGHFDKXDSYSKT-BDAKNGLRSA-N 0 1 205.257 2.036 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])C1CCCC1 ZINC000084002384 601156180 /nfs/dbraw/zinc/15/61/80/601156180.db2.gz ORVPEEDQBHAZBS-NTMALXAHSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)c1ccco1)C(=O)[O-] ZINC000706341828 601159498 /nfs/dbraw/zinc/15/94/98/601159498.db2.gz MFODKOVVYCHVIG-OLKPEBQYSA-N 0 1 223.272 2.303 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000228040641 601176043 /nfs/dbraw/zinc/17/60/43/601176043.db2.gz HNGCZKMBSLFCMZ-XHXQXFLYSA-N 0 1 223.316 2.282 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]2CCC[C@H]21)C(=O)[O-] ZINC000228325211 601176060 /nfs/dbraw/zinc/17/60/60/601176060.db2.gz HNGCZKMBSLFCMZ-GJKHTVIGSA-N 0 1 223.316 2.282 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000214858423 601178134 /nfs/dbraw/zinc/17/81/34/601178134.db2.gz FIXIZOZSTQZXIZ-SZAMVBNTSA-N 0 1 211.305 2.138 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000309670784 601226991 /nfs/dbraw/zinc/22/69/91/601226991.db2.gz JRQYMNHTHVQJAN-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN C[C@@H](C[N@@H+](Cc1cccs1)C1CC1)C(=O)[O-] ZINC000042516208 601287631 /nfs/dbraw/zinc/28/76/31/601287631.db2.gz IDFKPUAXLTYTKJ-VIFPVBQESA-N 0 1 239.340 2.433 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000706765720 601339266 /nfs/dbraw/zinc/33/92/66/601339266.db2.gz ZYWQHFZEODSNMS-STQMWFEESA-N 0 1 231.295 2.369 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000706765717 601339286 /nfs/dbraw/zinc/33/92/86/601339286.db2.gz ZYWQHFZEODSNMS-CHWSQXEVSA-N 0 1 231.295 2.369 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000706735158 601339359 /nfs/dbraw/zinc/33/93/59/601339359.db2.gz LEUCSKBLERTZMW-QWHCGFSZSA-N 0 1 231.295 2.369 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000390375389 601388128 /nfs/dbraw/zinc/38/81/28/601388128.db2.gz XLBVFLPEZASZAJ-LBPRGKRZSA-N 0 1 219.284 2.298 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000043459114 601463241 /nfs/dbraw/zinc/46/32/41/601463241.db2.gz JPOBLJIOMSGFLV-UHFFFAOYSA-N 0 1 241.237 2.014 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816069 601500697 /nfs/dbraw/zinc/50/06/97/601500697.db2.gz QQEAWPQKLMDMAO-NQBHXWOUSA-N 0 1 233.311 2.400 20 0 BEADMN Cc1cc(C[N@H+]2CCC2(C)C)oc1C(=O)[O-] ZINC000706929697 601595406 /nfs/dbraw/zinc/59/54/06/601595406.db2.gz RQDMTTUMVVLVOF-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN Cc1[nH+]cn(Cc2ccsc2C(=O)[O-])c1C ZINC000082501573 601822583 /nfs/dbraw/zinc/82/25/83/601822583.db2.gz SMPHFQKDIGKZFZ-UHFFFAOYSA-N 0 1 236.296 2.308 20 0 BEADMN CC(C)[C@H]([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000035391478 601823998 /nfs/dbraw/zinc/82/39/98/601823998.db2.gz NSHMAUWGHTXADQ-LBPRGKRZSA-N 0 1 248.282 2.027 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCc2cccs2)C1 ZINC000082602664 601913211 /nfs/dbraw/zinc/91/32/11/601913211.db2.gz UPXVTTJUZXXHEZ-LBPRGKRZSA-N 0 1 239.340 2.087 20 0 BEADMN Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000740183107 601947939 /nfs/dbraw/zinc/94/79/39/601947939.db2.gz IZEZTOIQYQNCAP-LBPRGKRZSA-N 0 1 248.326 2.085 20 0 BEADMN CC[N@H+](CCC(=O)[O-])C/C(Cl)=C/Cl ZINC000086000659 602036419 /nfs/dbraw/zinc/03/64/19/602036419.db2.gz OBTLVDVHLHAXJD-ALCCZGGFSA-N 0 1 226.103 2.102 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C/C(Cl)=C/Cl ZINC000086000659 602036423 /nfs/dbraw/zinc/03/64/23/602036423.db2.gz OBTLVDVHLHAXJD-ALCCZGGFSA-N 0 1 226.103 2.102 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccnc1 ZINC000036771457 602072102 /nfs/dbraw/zinc/07/21/02/602072102.db2.gz YKJKWLNHZQYANE-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccnc1 ZINC000036771457 602072104 /nfs/dbraw/zinc/07/21/04/602072104.db2.gz YKJKWLNHZQYANE-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000738821182 602260376 /nfs/dbraw/zinc/26/03/76/602260376.db2.gz OZZRDTVPVRRQFO-MNOVXSKESA-N 0 1 228.336 2.153 20 0 BEADMN O=C([O-])NC[C@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000740622599 602263651 /nfs/dbraw/zinc/26/36/51/602263651.db2.gz IGLWROFOALPYSE-VXGBXAGGSA-N 0 1 238.331 2.217 20 0 BEADMN O=C([O-])NC[C@@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000740622597 602263795 /nfs/dbraw/zinc/26/37/95/602263795.db2.gz IGLWROFOALPYSE-RYUDHWBXSA-N 0 1 238.331 2.217 20 0 BEADMN CC(C)=CC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000738759967 602264250 /nfs/dbraw/zinc/26/42/50/602264250.db2.gz NMUJMMCHKLUPMZ-NWDGAFQWSA-N 0 1 240.347 2.463 20 0 BEADMN CCCC[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000739331398 602275672 /nfs/dbraw/zinc/27/56/72/602275672.db2.gz AQMQYFCXDZERQZ-MNOVXSKESA-N 0 1 228.336 2.297 20 0 BEADMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000736785584 602450629 /nfs/dbraw/zinc/45/06/29/602450629.db2.gz SNCCIOOQPOIUMT-VXGBXAGGSA-N 0 1 240.347 2.251 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[O-])c1 ZINC000740171330 602557954 /nfs/dbraw/zinc/55/79/54/602557954.db2.gz QRBJODKKEFFYMC-NSHDSACASA-N 0 1 236.315 2.083 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738835522 602702078 /nfs/dbraw/zinc/70/20/78/602702078.db2.gz AVCCPCADKFZBHD-LLVKDONJSA-N 0 1 240.347 2.249 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C(C)C ZINC000739414747 602704457 /nfs/dbraw/zinc/70/44/57/602704457.db2.gz OJITTZRDVZROOE-NSHDSACASA-N 0 1 228.336 2.107 20 0 BEADMN CC1(C)CCC[N@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739065648 602705462 /nfs/dbraw/zinc/70/54/62/602705462.db2.gz PQWAHGVQIJUYMM-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN C[C@H]1CN(C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000739159341 602737099 /nfs/dbraw/zinc/73/70/99/602737099.db2.gz HFLITGNXNGHOMK-JTQLQIEISA-N 0 1 228.336 2.107 20 0 BEADMN Cc1cccc(C[N@@H+]2CCN(C(=O)[O-])C[C@@H]2C)c1 ZINC000740172255 602738404 /nfs/dbraw/zinc/73/84/04/602738404.db2.gz YJKZEMPTXVQVGX-LBPRGKRZSA-N 0 1 248.326 2.179 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739275043 602975272 /nfs/dbraw/zinc/97/52/72/602975272.db2.gz ZDVKFCMPEVCPBV-RYUDHWBXSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739275033 602975298 /nfs/dbraw/zinc/97/52/98/602975298.db2.gz ZDVKFCMPEVCPBV-NEPJUHHUSA-N 0 1 240.347 2.251 20 0 BEADMN C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739708828 602976156 /nfs/dbraw/zinc/97/61/56/602976156.db2.gz AJHFPNLQGYPEJF-CYBMUJFWSA-N 0 1 248.326 2.118 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000740659785 603082014 /nfs/dbraw/zinc/08/20/14/603082014.db2.gz VYEALGMIYXEUNQ-SECBINFHSA-N 0 1 240.328 2.153 20 0 BEADMN C[C@@H](c1ccccc1F)[N@H+](C)CCNC(=O)[O-] ZINC000739061721 603083227 /nfs/dbraw/zinc/08/32/27/603083227.db2.gz YHARRSYHPUHWQS-VIFPVBQESA-N 0 1 240.278 2.086 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000738800189 603328295 /nfs/dbraw/zinc/32/82/95/603328295.db2.gz GHEOGRJEZKECMK-VXGBXAGGSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)[C@H]1C ZINC000739112109 603349272 /nfs/dbraw/zinc/34/92/72/603349272.db2.gz RRLRGLMIRRDNJG-WOPDTQHZSA-N 0 1 240.347 2.107 20 0 BEADMN Cc1cn(Cc2cc(C)c(C(=O)[O-])o2)c(C)[nH+]1 ZINC000714428505 604353147 /nfs/dbraw/zinc/35/31/47/604353147.db2.gz MYRBUWHVZDUOIF-UHFFFAOYSA-N 0 1 234.255 2.148 20 0 BEADMN CCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])o1 ZINC000086729508 604521948 /nfs/dbraw/zinc/52/19/48/604521948.db2.gz LQHYLYXOSJYCLN-LBPRGKRZSA-N 0 1 237.299 2.281 20 0 BEADMN CCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])o1 ZINC000086729508 604521951 /nfs/dbraw/zinc/52/19/51/604521951.db2.gz LQHYLYXOSJYCLN-LBPRGKRZSA-N 0 1 237.299 2.281 20 0 BEADMN CCC(CC)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000083408973 604626424 /nfs/dbraw/zinc/62/64/24/604626424.db2.gz LVQJHCTYKVOZSF-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402195261 604674081 /nfs/dbraw/zinc/67/40/81/604674081.db2.gz HQPPPERHQAGNBR-DGCLKSJQSA-N 0 1 223.316 2.139 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000251871428 604841934 /nfs/dbraw/zinc/84/19/34/604841934.db2.gz QONJZRGEHDYVNZ-NDBYEHHHSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000227542682 604841942 /nfs/dbraw/zinc/84/19/42/604841942.db2.gz MMZGLZQCUZERTD-GRYCIOLGSA-N 0 1 227.348 2.465 20 0 BEADMN C/C(=C\C[N@H+]1CCc2ccsc2C1)C(=O)[O-] ZINC000712302083 604937781 /nfs/dbraw/zinc/93/77/81/604937781.db2.gz KKUYVYLNNZGFAE-XNWCZRBMSA-N 0 1 237.324 2.137 20 0 BEADMN O=C([O-])[C@@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000037966628 604985684 /nfs/dbraw/zinc/98/56/84/604985684.db2.gz ITXIAFTVBUCGHL-NSHDSACASA-N 0 1 248.307 2.059 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000740162173 605912984 /nfs/dbraw/zinc/91/29/84/605912984.db2.gz HXCCKGRSNYKJNQ-LBPRGKRZSA-N 0 1 248.326 2.145 20 0 BEADMN Cc1nnc(SCCCCCCCO)[nH]1 ZINC001318723715 991706028 /nfs/dbraw/zinc/70/60/28/991706028.db2.gz QHVHFMRJWXTZGY-UHFFFAOYSA-N 0 1 229.349 2.148 20 0 BEADMN Cc1[nH+]c(N2CCC[C@H](C)C2)ccc1C(=O)[O-] ZINC000124129714 634396292 /nfs/dbraw/zinc/39/62/92/634396292.db2.gz XBOZTKYXULHZHP-VIFPVBQESA-N 0 1 234.299 2.325 20 0 BEADMN Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]3C2)ccc1C(=O)[O-] ZINC000124336918 634411781 /nfs/dbraw/zinc/41/17/81/634411781.db2.gz SUWMOQFVIKYRAF-PHIMTYICSA-N 0 1 246.310 2.325 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2CCC(F)(F)C2)n1 ZINC000429785532 634436878 /nfs/dbraw/zinc/43/68/78/634436878.db2.gz LIRALGISBHAAHX-IONNQARKSA-N 0 1 245.273 2.464 20 0 BEADMN Cc1noc([C@@H](C)NC[C@@H]2CCC(F)(F)C2)n1 ZINC000429785534 634437482 /nfs/dbraw/zinc/43/74/82/634437482.db2.gz LIRALGISBHAAHX-VXNVDRBHSA-N 0 1 245.273 2.464 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cn1 ZINC000334391249 634458824 /nfs/dbraw/zinc/45/88/24/634458824.db2.gz VBRUYHYKCOMSSH-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN COc1ccc(CN(C)CCc2ccccn2)o1 ZINC000893540626 634599508 /nfs/dbraw/zinc/59/95/08/634599508.db2.gz SBFNDHQYQQOPIG-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CCNCC1 ZINC000236854118 635506367 /nfs/dbraw/zinc/50/63/67/635506367.db2.gz GJAZBJRRRBVBOS-LBPRGKRZSA-N 0 1 226.364 2.025 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000232763828 635516790 /nfs/dbraw/zinc/51/67/90/635516790.db2.gz GVRONPVAKUIFCW-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1ccc(Cl)c(F)c1 ZINC000925866013 635568217 /nfs/dbraw/zinc/56/82/17/635568217.db2.gz IRVUQSFFLSGFLR-VXNVDRBHSA-N 0 1 244.697 2.033 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1ccc(F)c(Cl)c1 ZINC000925869384 635579180 /nfs/dbraw/zinc/57/91/80/635579180.db2.gz DAKGZHVXCUNDLS-CBAPKCEASA-N 0 1 244.697 2.033 20 0 BEADMN c1nc(CN[C@@H]2CCOC23CCCCC3)co1 ZINC000925869377 635579632 /nfs/dbraw/zinc/57/96/32/635579632.db2.gz KLGPQVUSUZCINC-GFCCVEGCSA-N 0 1 236.315 2.256 20 0 BEADMN CC[C@H](C[C@](C)(O)CC)NCc1cocn1 ZINC000925869394 635579994 /nfs/dbraw/zinc/57/99/94/635579994.db2.gz KSDXRUQZLNTGAH-ZYHUDNBSSA-N 0 1 226.320 2.094 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235547444 635580044 /nfs/dbraw/zinc/58/00/44/635580044.db2.gz GCGKQHUJUPOAEZ-JTQLQIEISA-N 0 1 234.299 2.154 20 0 BEADMN CCc1noc(CN(C)C2CCCCC2)n1 ZINC000073600354 631216260 /nfs/dbraw/zinc/21/62/60/631216260.db2.gz NTIXAIZENDSGOG-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN COC[C@@H]1COCCN1CCCC1CCCC1 ZINC000933336414 631278137 /nfs/dbraw/zinc/27/81/37/631278137.db2.gz QAYIVZAOMLHKEI-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN OC[C@H](NC/C(Cl)=C\Cl)C1CCCC1 ZINC000308545480 631336486 /nfs/dbraw/zinc/33/64/86/631336486.db2.gz ODGANSUVCGDGME-CYNRKNSPSA-N 0 1 238.158 2.446 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NC/C=C/Cl ZINC000308652440 631349941 /nfs/dbraw/zinc/34/99/41/631349941.db2.gz LOBNDDIIQZKOSK-WTSVBCDHSA-N 0 1 213.712 2.132 20 0 BEADMN CC(C)(NC(=O)c1cccc(F)c1O)C1CC1 ZINC000933469472 631384179 /nfs/dbraw/zinc/38/41/79/631384179.db2.gz QICLEPGZOQFFGV-UHFFFAOYSA-N 0 1 237.274 2.450 20 0 BEADMN CO[C@H]1CCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891692654 631448726 /nfs/dbraw/zinc/44/87/26/631448726.db2.gz QHTVHQPIYMGEKI-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnc(F)c(C)c2)C1 ZINC000891693249 631450037 /nfs/dbraw/zinc/45/00/37/631450037.db2.gz XOEHMBWKZOIGFJ-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)(NC[C@@H]1CCCOC1)C(F)F ZINC000308651466 631465189 /nfs/dbraw/zinc/46/51/89/631465189.db2.gz KSJDSIUQFZZLNG-QMMMGPOBSA-N 0 1 207.264 2.046 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2Cc3ccccc32)n1 ZINC000090986723 631485688 /nfs/dbraw/zinc/48/56/88/631485688.db2.gz ILULTFBDFLHXPE-NWDGAFQWSA-N 0 1 243.310 2.413 20 0 BEADMN Cc1cccc(C)c1CN(C)[C@H](C)C(=O)N(C)C ZINC000933769174 631506551 /nfs/dbraw/zinc/50/65/51/631506551.db2.gz WFOURMHXMZTVTQ-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CC(C)NCc1cn([C@H](C)c2ccccc2)nn1 ZINC000090297096 631526177 /nfs/dbraw/zinc/52/61/77/631526177.db2.gz FVVAREHKSHRNKI-GFCCVEGCSA-N 0 1 244.342 2.385 20 0 BEADMN CCOc1ccc(CN(CCO)C2CCC2)o1 ZINC000893899604 635634041 /nfs/dbraw/zinc/63/40/41/635634041.db2.gz FFOSNQMKJMBMRH-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN CC(C)(C)Oc1cccc(CN2CC[C@H]2CO)c1 ZINC000934012642 631592824 /nfs/dbraw/zinc/59/28/24/631592824.db2.gz CHSCIIXERBHHHU-ZDUSSCGKSA-N 0 1 249.354 2.431 20 0 BEADMN CC[C@@H](OCC[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934014182 631596437 /nfs/dbraw/zinc/59/64/37/631596437.db2.gz ZLNCTPDYEATWMD-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@H](OCCN1CC[C@@H]1CO)c1ccccc1 ZINC000934014182 631596442 /nfs/dbraw/zinc/59/64/42/631596442.db2.gz ZLNCTPDYEATWMD-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN CCN(Cn1nccc1-c1ccncc1)C1CC1 ZINC000067094180 635646925 /nfs/dbraw/zinc/64/69/25/635646925.db2.gz RUCWKFISPUQXHQ-UHFFFAOYSA-N 0 1 242.326 2.387 20 0 BEADMN C[C@H](c1ccccc1Cl)N1CC[C@H]1CO ZINC000934025214 631601030 /nfs/dbraw/zinc/60/10/30/631601030.db2.gz CEFLWFIGYLTPEX-ZJUUUORDSA-N 0 1 225.719 2.468 20 0 BEADMN Cc1cccc(Cl)c1C[N@H+]1CC[C@H]1CO ZINC000934020281 631619739 /nfs/dbraw/zinc/61/97/39/631619739.db2.gz ZUXRCWPDPALYNT-JTQLQIEISA-N 0 1 225.719 2.215 20 0 BEADMN Cc1cccc(Cl)c1CN1CC[C@H]1CO ZINC000934020281 631619744 /nfs/dbraw/zinc/61/97/44/631619744.db2.gz ZUXRCWPDPALYNT-JTQLQIEISA-N 0 1 225.719 2.215 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000934103927 631671861 /nfs/dbraw/zinc/67/18/61/631671861.db2.gz GTCKMNLKAHNVJG-VXGBXAGGSA-N 0 1 236.315 2.161 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncs2)c(C)nn1 ZINC000934194770 631725575 /nfs/dbraw/zinc/72/55/75/631725575.db2.gz BAEGRPRITVASLI-JTQLQIEISA-N 0 1 248.355 2.401 20 0 BEADMN OC1CCC(NCc2nc(Cl)cs2)CC1 ZINC000308932391 631745761 /nfs/dbraw/zinc/74/57/61/631745761.db2.gz MVMNKWNCVCJPHY-UHFFFAOYSA-N 0 1 246.763 2.190 20 0 BEADMN CN(CCC1CC1)Cc1cnc(Cl)cn1 ZINC000308985072 631780784 /nfs/dbraw/zinc/78/07/84/631780784.db2.gz JJYAOQKJSAZWGC-UHFFFAOYSA-N 0 1 225.723 2.362 20 0 BEADMN C[C@@H](NCc1c(F)cccc1Cl)[C@H](C)O ZINC000309047897 631822831 /nfs/dbraw/zinc/82/28/31/631822831.db2.gz PKLASCNRXANFFD-SFYZADRCSA-N 0 1 231.698 2.338 20 0 BEADMN CCCCC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000889525264 631842328 /nfs/dbraw/zinc/84/23/28/631842328.db2.gz NDHQWUXSJJOLNO-GHMZBOCLSA-N 0 1 247.342 2.352 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cccc(F)c2O)C1 ZINC000934459230 631847229 /nfs/dbraw/zinc/84/72/29/631847229.db2.gz DLCXLJRILAVFNT-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN CS[C@@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000308826412 631870906 /nfs/dbraw/zinc/87/09/06/631870906.db2.gz DTUXGAQWDPARHJ-BQBZGAKWSA-N 0 1 215.322 2.149 20 0 BEADMN CCCCOC(=O)CN(CCC)CCC ZINC000049750784 631912167 /nfs/dbraw/zinc/91/21/67/631912167.db2.gz SJGNYGCBVZARSQ-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN CC[C@H](CC(F)F)CN1CC[C@@H](O)[C@H](F)C1 ZINC000934567659 631934370 /nfs/dbraw/zinc/93/43/70/631934370.db2.gz RASDSNTYFZLCRL-OPRDCNLKSA-N 0 1 239.281 2.073 20 0 BEADMN O[C@@H]1CCN([C@H]2CCc3ccccc32)C[C@H]1F ZINC000934574460 631948229 /nfs/dbraw/zinc/94/82/29/631948229.db2.gz SRTKEAMAKXPWIX-HZSPNIEDSA-N 0 1 235.302 2.079 20 0 BEADMN c1cc(CN[C@@H]2CC[C@@H]2C2CCC2)no1 ZINC000308857167 631962322 /nfs/dbraw/zinc/96/23/22/631962322.db2.gz QGVNCCJVNHOTJC-VXGBXAGGSA-N 0 1 206.289 2.343 20 0 BEADMN CN(CCCc1ccccc1)CN1CCCC1=O ZINC000172065211 631975457 /nfs/dbraw/zinc/97/54/57/631975457.db2.gz ILNBOOHQOGIZIH-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN CCCSCc1nc([C@H](N)C(C)C)no1 ZINC000309395540 632022392 /nfs/dbraw/zinc/02/23/92/632022392.db2.gz GNOROYXXBYJRPD-SECBINFHSA-N 0 1 229.349 2.369 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC000924437880 632015571 /nfs/dbraw/zinc/01/55/71/632015571.db2.gz NCKWSDJAMCVOPD-JRKPZEMJSA-N 0 1 249.314 2.162 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CSC[C@]3(C)C2)o1 ZINC000934767457 632063193 /nfs/dbraw/zinc/06/31/93/632063193.db2.gz UNYLEFVEUOXISP-PWSUYJOCSA-N 0 1 238.356 2.168 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000926453899 632073938 /nfs/dbraw/zinc/07/39/38/632073938.db2.gz VVWTVAVBVIYIRZ-KKZNHRDASA-N 0 1 238.331 2.373 20 0 BEADMN Cc1[nH+]c(N2CCC(C)CC2)ccc1C(=O)[O-] ZINC000124127743 632089028 /nfs/dbraw/zinc/08/90/28/632089028.db2.gz OFGYRBJIVUTWDC-UHFFFAOYSA-N 0 1 234.299 2.325 20 0 BEADMN CCCN(c1ccc(C(=O)[O-])c(C)[nH+]1)C1CC1 ZINC000124162910 632089643 /nfs/dbraw/zinc/08/96/43/632089643.db2.gz BECJPYGSVIFHIZ-UHFFFAOYSA-N 0 1 234.299 2.467 20 0 BEADMN Cc1[nH+]c(N2C[C@@H](C)[C@H](C)C2)ccc1C(=O)[O-] ZINC000124316997 632092692 /nfs/dbraw/zinc/09/26/92/632092692.db2.gz ODRNGFFIISGRSV-RKDXNWHRSA-N 0 1 234.299 2.180 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000248334585 632118864 /nfs/dbraw/zinc/11/88/64/632118864.db2.gz GEYOYMPZHLMUIH-MXWKQRLJSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)C=CCC1 ZINC000934896840 632130925 /nfs/dbraw/zinc/13/09/25/632130925.db2.gz CSNNKPLXHUHVCW-BXUZGUMPSA-N 0 1 245.326 2.260 20 0 BEADMN Cc1ncc(CCN[C@H](C)c2ncc[nH]2)s1 ZINC000309517436 632435561 /nfs/dbraw/zinc/43/55/61/632435561.db2.gz ZBLLCVXFISILMX-MRVPVSSYSA-N 0 1 236.344 2.068 20 0 BEADMN CO[C@H](CNCc1ccsc1)C(F)(F)F ZINC000308931434 632501202 /nfs/dbraw/zinc/50/12/02/632501202.db2.gz JPULJFLTWUMYFG-MRVPVSSYSA-N 0 1 239.262 2.415 20 0 BEADMN O[C@@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000308940331 632547088 /nfs/dbraw/zinc/54/70/88/632547088.db2.gz PWZMZLGBDHDBNM-JGVFFNPUSA-N 0 1 246.763 2.190 20 0 BEADMN C[C@@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ncco1 ZINC000926584332 632591734 /nfs/dbraw/zinc/59/17/34/632591734.db2.gz LFMOFRJEEDEFAY-GWOFURMSSA-N 0 1 224.304 2.139 20 0 BEADMN Cc1nonc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000309632610 632593029 /nfs/dbraw/zinc/59/30/29/632593029.db2.gz LAPFHTYQYANNLK-MNOVXSKESA-N 0 1 221.304 2.046 20 0 BEADMN CCc1nnc(CN[C@@H]2CCS[C@@H]2C)s1 ZINC000309033683 632619406 /nfs/dbraw/zinc/61/94/06/632619406.db2.gz GSOJIHMFIDACRQ-HTQZYQBOSA-N 0 1 243.401 2.084 20 0 BEADMN CC[C@H]1CCN(Cn2cccnc2=S)C1 ZINC000176947965 632666365 /nfs/dbraw/zinc/66/63/65/632666365.db2.gz ZXRNZHQISDDNFO-JTQLQIEISA-N 0 1 223.345 2.302 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235325269 632667287 /nfs/dbraw/zinc/66/72/87/632667287.db2.gz YHVBLUMCWDVSQE-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235407033 632707504 /nfs/dbraw/zinc/70/75/04/632707504.db2.gz VHMGHVXEUZAWOO-ZJUUUORDSA-N 0 1 234.299 2.010 20 0 BEADMN CCCCCCN[C@H](C)c1cnn(C)n1 ZINC000924538952 632779206 /nfs/dbraw/zinc/77/92/06/632779206.db2.gz OABZOFRWUMDELG-SNVBAGLBSA-N 0 1 210.325 2.046 20 0 BEADMN C[C@H]1CN(Cc2ccc(O)c(F)c2)CCCO1 ZINC000235660040 632809433 /nfs/dbraw/zinc/80/94/33/632809433.db2.gz OIZWVXUFTJPRNY-JTQLQIEISA-N 0 1 239.290 2.142 20 0 BEADMN COc1ccnc([C@@H](C)N[C@H]2C=CCC2)c1 ZINC000926692001 632827674 /nfs/dbraw/zinc/82/76/74/632827674.db2.gz UWCSAWCJARNARK-MNOVXSKESA-N 0 1 218.300 2.459 20 0 BEADMN C[C@@H](NCc1cccs1)c1ccnnc1 ZINC000924556031 632833507 /nfs/dbraw/zinc/83/35/07/632833507.db2.gz BSRSAFKRFSWAQM-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN Cc1noc(C)c1CNc1nccn1C1CC1 ZINC000235821923 632834174 /nfs/dbraw/zinc/83/41/74/632834174.db2.gz QGXSCHNMHQBJPB-UHFFFAOYSA-N 0 1 232.287 2.435 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@@]1(C)CC1(F)F ZINC000926704483 632844476 /nfs/dbraw/zinc/84/44/76/632844476.db2.gz SNGWKMRWTVBGCQ-XCBNKYQSSA-N 0 1 245.273 2.464 20 0 BEADMN CCCC[C@H](C(=O)Nc1c[nH]nn1)C(C)C ZINC000935595506 632846865 /nfs/dbraw/zinc/84/68/65/632846865.db2.gz IVSMUHMVELRXGU-VIFPVBQESA-N 0 1 224.308 2.206 20 0 BEADMN O=C(C=CC1CCCCCC1)Nc1c[nH]nn1 ZINC000935595489 632847911 /nfs/dbraw/zinc/84/79/11/632847911.db2.gz IHOGIBUNMHDCQA-FPLPWBNLSA-N 0 1 234.303 2.270 20 0 BEADMN O=C(Nc1c[nH]nn1)C(F)=CC1CCCCC1 ZINC000935596198 632849855 /nfs/dbraw/zinc/84/98/55/632849855.db2.gz AGDPYMCTQIGUEY-TWGQIWQCSA-N 0 1 238.266 2.177 20 0 BEADMN C[C@@H](N[C@@H](C)CCc1ccco1)c1cnn(C)n1 ZINC000924563756 632876587 /nfs/dbraw/zinc/87/65/87/632876587.db2.gz NUPWKHQDBXTOEP-WDEREUQCSA-N 0 1 248.330 2.080 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000177886635 632898389 /nfs/dbraw/zinc/89/83/89/632898389.db2.gz WSAAGWCQEUFQEE-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN CN(C)c1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000393776920 632995620 /nfs/dbraw/zinc/99/56/20/632995620.db2.gz YOWNXVNESOUBCE-JTQLQIEISA-N 0 1 239.388 2.487 20 0 BEADMN Oc1ccc(CNCc2ccoc2)cc1F ZINC000164247097 633074888 /nfs/dbraw/zinc/07/48/88/633074888.db2.gz ZFQPTOMEHPOZHN-UHFFFAOYSA-N 0 1 221.231 2.414 20 0 BEADMN CC[C@@H](C)CN(CC)CCS(=O)(=O)C(C)C ZINC000178237493 633107298 /nfs/dbraw/zinc/10/72/98/633107298.db2.gz QCQPRSUFYISWNL-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN CC[C@@]1(NCc2cccnc2Cl)CCOC1 ZINC000309473856 633130436 /nfs/dbraw/zinc/13/04/36/633130436.db2.gz RHJOFQKLQLXHTB-GFCCVEGCSA-N 0 1 240.734 2.394 20 0 BEADMN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccoc1 ZINC000167838166 633134448 /nfs/dbraw/zinc/13/44/48/633134448.db2.gz TWEKGPUVEMIYJX-QFYYESIMSA-N 0 1 243.372 2.477 20 0 BEADMN CC(C)=CCN[C@H]1CCCc2c[nH]nc21 ZINC000277112281 633163924 /nfs/dbraw/zinc/16/39/24/633163924.db2.gz XRVPAUFGKJNTCI-NSHDSACASA-N 0 1 205.305 2.343 20 0 BEADMN C[C@H](NCC1(CC2CC2)CC1)c1cnn(C)n1 ZINC000926841974 633214377 /nfs/dbraw/zinc/21/43/77/633214377.db2.gz PEOGMGKOISPNJN-JTQLQIEISA-N 0 1 234.347 2.046 20 0 BEADMN CCc1nc(N[C@@H](C)CCC(=O)[O-])cc(C)[nH+]1 ZINC000304377201 635941153 /nfs/dbraw/zinc/94/11/53/635941153.db2.gz VTLBOEYYEZMYHE-QMMMGPOBSA-N 0 1 237.303 2.013 20 0 BEADMN CCc1nc(N[C@H](C)CCC(=O)[O-])cc(C)[nH+]1 ZINC000304377200 635941837 /nfs/dbraw/zinc/94/18/37/635941837.db2.gz VTLBOEYYEZMYHE-MRVPVSSYSA-N 0 1 237.303 2.013 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000909412332 635955947 /nfs/dbraw/zinc/95/59/47/635955947.db2.gz AZNGDBSQLCJHJI-SRVKXCTJSA-N 0 1 249.358 2.283 20 0 BEADMN BrC1=CCCN(C[C@H]2CCOC2)C1 ZINC000306226508 635958679 /nfs/dbraw/zinc/95/86/79/635958679.db2.gz VSUYGHIXODHSNP-SECBINFHSA-N 0 1 246.148 2.007 20 0 BEADMN CCC1(C)CN(Cc2n[nH]c(C)c2C)C1 ZINC000894980437 636011574 /nfs/dbraw/zinc/01/15/74/636011574.db2.gz PKOXQNNUABAMIK-UHFFFAOYSA-N 0 1 207.321 2.258 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NCc1cnsn1 ZINC000307086326 635981758 /nfs/dbraw/zinc/98/17/58/635981758.db2.gz KERXYFLWOXCFDU-SCZZXKLOSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnc[nH]2)c2ccccc2O1 ZINC000894880684 635994387 /nfs/dbraw/zinc/99/43/87/635994387.db2.gz IGVGMPJKYXBUEC-ZWNOBZJWSA-N 0 1 243.310 2.412 20 0 BEADMN CSCC[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000925094686 636001348 /nfs/dbraw/zinc/00/13/48/636001348.db2.gz GGQSPKHBEISQQN-LPEHRKFASA-N 0 1 240.376 2.015 20 0 BEADMN CCCCN(C)Cn1cc(Cl)cn1 ZINC000126921025 636093241 /nfs/dbraw/zinc/09/32/41/636093241.db2.gz FPHPPBBILITQRZ-UHFFFAOYSA-N 0 1 201.701 2.226 20 0 BEADMN CC[C@@H](C)CCCCC(=O)NC[C@@H]1CCN1C ZINC000928560227 636104830 /nfs/dbraw/zinc/10/48/30/636104830.db2.gz QZCOEPQSGKWGRR-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCN1C ZINC000928563285 636111910 /nfs/dbraw/zinc/11/19/10/636111910.db2.gz PCNBGISPKMLMCV-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928572971 636119296 /nfs/dbraw/zinc/11/92/96/636119296.db2.gz MEZCHZMOUMZUIG-TZMCWYRMSA-N 0 1 246.354 2.001 20 0 BEADMN CCOc1ccc(CN(C[C@H](C)O)C2CC2)o1 ZINC000895228644 636123536 /nfs/dbraw/zinc/12/35/36/636123536.db2.gz CODIVRYQEPNXHP-JTQLQIEISA-N 0 1 239.315 2.024 20 0 BEADMN C[C@@H](C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000328406578 633762723 /nfs/dbraw/zinc/76/27/23/633762723.db2.gz NRDGAONAFAKETR-OUAUKWLOSA-N 0 1 227.348 2.321 20 0 BEADMN CC1CC(CN2CCOC[C@@H]2CC(F)F)C1 ZINC000930468745 633840527 /nfs/dbraw/zinc/84/05/27/633840527.db2.gz GMWHJOPNOJEZQQ-ILDUYXDCSA-N 0 1 233.302 2.389 20 0 BEADMN C[C@H](C[N@H+]1CC[C@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000309132928 633849799 /nfs/dbraw/zinc/84/97/99/633849799.db2.gz HVIJQSGVAFKAMP-MFKMUULPSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ncsc1CNCc1ccc(F)nc1 ZINC000309876365 633890491 /nfs/dbraw/zinc/89/04/91/633890491.db2.gz SUHCIDODROSZOW-UHFFFAOYSA-N 0 1 237.303 2.275 20 0 BEADMN CC(C)COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000181475745 633917591 /nfs/dbraw/zinc/91/75/91/633917591.db2.gz IVVISNCTINOESD-PHIMTYICSA-N 0 1 213.321 2.058 20 0 BEADMN CS[C@H]1CCN([C@@H](C)c2snnc2C)C1 ZINC000930609868 633934034 /nfs/dbraw/zinc/93/40/34/633934034.db2.gz NFZGEGMOBGZLTP-IUCAKERBSA-N 0 1 243.401 2.345 20 0 BEADMN CCOC(=O)[C@@H](NC[Si](C)(C)C)C(C)(C)C ZINC000309922865 633943987 /nfs/dbraw/zinc/94/39/87/633943987.db2.gz TVXAQFQUHACASA-SNVBAGLBSA-N 0 1 245.439 2.431 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ncccn2)C1(C)C ZINC000930633655 633960603 /nfs/dbraw/zinc/96/06/03/633960603.db2.gz RHFMGMOHZPXUCP-NOOOWODRSA-N 0 1 249.358 2.187 20 0 BEADMN Cn1c(Cl)cnc1CNCCC1(F)CCC1 ZINC000309607966 633969726 /nfs/dbraw/zinc/96/97/26/633969726.db2.gz YNIQHCXYYHRGIS-UHFFFAOYSA-N 0 1 245.729 2.445 20 0 BEADMN COC1(C[C@H](C)NCc2ccon2)CCC1 ZINC000309953374 633975336 /nfs/dbraw/zinc/97/53/36/633975336.db2.gz HCVRBHWJOREVGI-JTQLQIEISA-N 0 1 224.304 2.112 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H]1C ZINC000895518462 636156727 /nfs/dbraw/zinc/15/67/27/636156727.db2.gz PJCXNJMKYWTOLD-FDYHWXHSSA-N 0 1 238.375 2.022 20 0 BEADMN FC[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000895567780 636158041 /nfs/dbraw/zinc/15/80/41/636158041.db2.gz KPOQCIQGTOMRMN-VIFPVBQESA-N 0 1 224.279 2.343 20 0 BEADMN FC[C@@H]1CCN(Cc2cnc(C3CC3)nc2)C1 ZINC000895568674 636160077 /nfs/dbraw/zinc/16/00/77/636160077.db2.gz PFTSKYNJNVWLDU-JTQLQIEISA-N 0 1 235.306 2.145 20 0 BEADMN Cc1c(C[N@H+]2CC[C@H](CF)C2)ccnc1F ZINC000895569395 636160136 /nfs/dbraw/zinc/16/01/36/636160136.db2.gz VTLJHHBUXTVMMW-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN N#Cc1ccc(O)c(NC(=O)Cc2ccoc2)c1 ZINC000185628432 634054927 /nfs/dbraw/zinc/05/49/27/634054927.db2.gz GJBPKSGWNNQZCS-UHFFFAOYSA-N 0 1 242.234 2.038 20 0 BEADMN FC1(CN2CC[C@H](c3nccs3)C2)CC1 ZINC000895581878 636164221 /nfs/dbraw/zinc/16/42/21/636164221.db2.gz POMYEIXUPREBOU-VIFPVBQESA-N 0 1 226.320 2.435 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@H]1CC[C@H](C)O1 ZINC000188570979 634148631 /nfs/dbraw/zinc/14/86/31/634148631.db2.gz RFCQSHHVQKDAMM-JOYOIKCWSA-N 0 1 238.331 2.291 20 0 BEADMN CC1(C)CCN(Cc2ccc(F)nc2)C1 ZINC000189350332 634179860 /nfs/dbraw/zinc/17/98/60/634179860.db2.gz MSYTXZGOVVRCJM-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CC[C@@H](CO)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000931084609 634214403 /nfs/dbraw/zinc/21/44/03/634214403.db2.gz QQYCXMKBARRHQJ-QWHCGFSZSA-N 0 1 234.343 2.235 20 0 BEADMN Cc1[nH+]c(NC2CC(C)C2)ccc1C(=O)[O-] ZINC000123526083 634242228 /nfs/dbraw/zinc/24/22/28/634242228.db2.gz JHZVAYWBZRMYKR-UHFFFAOYSA-N 0 1 220.272 2.299 20 0 BEADMN CCCCN(CCCC)C(=O)c1[nH]nnc1C ZINC000193810033 634292444 /nfs/dbraw/zinc/29/24/44/634292444.db2.gz QGQWALHMCQWMOH-UHFFFAOYSA-N 0 1 238.335 2.156 20 0 BEADMN CC[C@@H](CSC)N[C@@H](C)c1nonc1C ZINC000925696212 634352338 /nfs/dbraw/zinc/35/23/38/634352338.db2.gz YDEJABDPAWIKFL-CBAPKCEASA-N 0 1 229.349 2.170 20 0 BEADMN C#C[C@H](C)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000162780333 634356865 /nfs/dbraw/zinc/35/68/65/634356865.db2.gz WUUIXROGVKSNEC-QWHCGFSZSA-N 0 1 237.343 2.062 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1(OC)CCCCC1 ZINC000319619540 634361629 /nfs/dbraw/zinc/36/16/29/634361629.db2.gz LHJYNNXHMKULMO-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC1(C)CN(CC[C@H](O)c2ccccc2)CCO1 ZINC000053932713 635193134 /nfs/dbraw/zinc/19/31/34/635193134.db2.gz GAQQOEQVDQFXNC-AWEZNQCLSA-N 0 1 249.354 2.221 20 0 BEADMN CCc1ccc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000258963233 635232061 /nfs/dbraw/zinc/23/20/61/635232061.db2.gz WDFGGIAIIUUECC-UONOGXRCSA-N 0 1 247.338 2.402 20 0 BEADMN Cc1ccc(C[NH2+]Cc2ccoc2C(=O)[O-])o1 ZINC000235893576 635589042 /nfs/dbraw/zinc/58/90/42/635589042.db2.gz DTOPLPZOWIEINI-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN CC[C@@](C)(C[N@@H+](CC(=O)[O-])C1CCCC1)OC ZINC000319406967 635621183 /nfs/dbraw/zinc/62/11/83/635621183.db2.gz GKPYMWFTPUZFLV-ZDUSSCGKSA-N 0 1 243.347 2.131 20 0 BEADMN CSCC[C@@H](C)N[C@H](C)c1ncco1 ZINC000925096748 636003894 /nfs/dbraw/zinc/00/38/94/636003894.db2.gz PFPCRVJOYQIXNC-RKDXNWHRSA-N 0 1 214.334 2.467 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1cnc[nH]1 ZINC000909566636 636255372 /nfs/dbraw/zinc/25/53/72/636255372.db2.gz IZHIHPRAZHOSLQ-ZWNOBZJWSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)c1[nH]ncc1F ZINC000909566665 636255555 /nfs/dbraw/zinc/25/55/55/636255555.db2.gz JOKOEEYQMQXKGO-PELKAZGASA-N 0 1 239.294 2.247 20 0 BEADMN C[C@@H]1C[C@@H](NCCCC(F)(F)F)c2ncnn21 ZINC000925191783 636369215 /nfs/dbraw/zinc/36/92/15/636369215.db2.gz RYISTLKQEJYXKS-HTQZYQBOSA-N 0 1 248.252 2.216 20 0 BEADMN C(N[C@@H]1CCC12CCC2)c1noc2c1COCC2 ZINC000897366625 636491890 /nfs/dbraw/zinc/49/18/90/636491890.db2.gz MNZLAXTVBWPOOE-CYBMUJFWSA-N 0 1 248.326 2.170 20 0 BEADMN CN(CC(=O)NC(C)(C)/C=C\Cl)C1CCC1 ZINC000928932857 636533951 /nfs/dbraw/zinc/53/39/51/636533951.db2.gz XPMWVGNFLQBHGI-FPLPWBNLSA-N 0 1 244.766 2.118 20 0 BEADMN CCN(CC(=O)NC(C)(C)/C=C\Cl)C1CC1 ZINC000928933637 636539421 /nfs/dbraw/zinc/53/94/21/636539421.db2.gz NAHNPYZGWWMAOA-FPLPWBNLSA-N 0 1 244.766 2.118 20 0 BEADMN CCC[C@@H](C[N@@H+](C)Cc1cccc(=O)[nH]1)OC ZINC000897392133 636574378 /nfs/dbraw/zinc/57/43/78/636574378.db2.gz OBIUNKOJZFHGFI-LBPRGKRZSA-N 0 1 238.331 2.034 20 0 BEADMN Cc1occc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000321338056 636635555 /nfs/dbraw/zinc/63/55/55/636635555.db2.gz BAUKNOYQRSZYEY-NSHDSACASA-N 0 1 223.272 2.027 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000897495942 636724014 /nfs/dbraw/zinc/72/40/14/636724014.db2.gz HCGDQKMVWQTDLN-WOPDTQHZSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897503854 636729335 /nfs/dbraw/zinc/72/93/35/636729335.db2.gz RYMIIZDXLVSWHV-RYUDHWBXSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(NC(=O)c2cccc3[nH]ncc32)no1 ZINC000080007726 636761141 /nfs/dbraw/zinc/76/11/41/636761141.db2.gz RBUZUAQAHIZTJV-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC(C)=CCCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897547462 636807875 /nfs/dbraw/zinc/80/78/75/636807875.db2.gz VXGVNKAQPHZTJJ-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000929137536 636829342 /nfs/dbraw/zinc/82/93/42/636829342.db2.gz HXIFSEYJNJQOIW-ZDUSSCGKSA-N 0 1 248.326 2.204 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC000897887407 636843127 /nfs/dbraw/zinc/84/31/27/636843127.db2.gz JHHFZLLSIGJBFZ-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1noc(C2(NC[C@@H]3CC=CCC3)CC2)n1 ZINC000897897962 636844780 /nfs/dbraw/zinc/84/47/80/636844780.db2.gz RSAZMNWHSADGKF-LLVKDONJSA-N 0 1 233.315 2.313 20 0 BEADMN Cc1ccc(O)c(CN[C@@H](C)c2cncs2)n1 ZINC000897934074 636847320 /nfs/dbraw/zinc/84/73/20/636847320.db2.gz DESSUBOTUXOTLJ-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN COc1ccccc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000079486920 636860159 /nfs/dbraw/zinc/86/01/59/636860159.db2.gz ABEPCLBPGMRUOP-CQSZACIVSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)[C@H](N)c1noc(C2CCCC2)n1 ZINC000041052629 636960621 /nfs/dbraw/zinc/96/06/21/636960621.db2.gz CBLPUMDRTWXNRQ-VIFPVBQESA-N 0 1 209.293 2.383 20 0 BEADMN C[C@@H]1C[C@H](NC[C@]2(C)CCCCO2)c2nccn21 ZINC000927023148 636994420 /nfs/dbraw/zinc/99/44/20/636994420.db2.gz UMAHIAIZDJKXMP-DYEKYZERSA-N 0 1 249.358 2.438 20 0 BEADMN CC(C)[C@H](C)OC(=O)[C@@H]1CCCN1C(C)C ZINC000923890934 637005717 /nfs/dbraw/zinc/00/57/17/637005717.db2.gz IIHFUCBCPHARLG-RYUDHWBXSA-N 0 1 227.348 2.447 20 0 BEADMN Cc1cc(C(C#N)C(=O)CC(C)C)nc(C)n1 ZINC000041574299 637010869 /nfs/dbraw/zinc/01/08/69/637010869.db2.gz NYUSPVMAVDMMBL-LLVKDONJSA-N 0 1 231.299 2.316 20 0 BEADMN Cc1cn2c(nc(C)c2-c2cc(CN)on2)s1 ZINC000901399602 637246191 /nfs/dbraw/zinc/24/61/91/637246191.db2.gz GRDYTOMHEJWPGG-UHFFFAOYSA-N 0 1 248.311 2.126 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])CC(C)C)c(C)o1 ZINC000901589627 637264623 /nfs/dbraw/zinc/26/46/23/637264623.db2.gz BSKMAMBFYAAGLU-UHFFFAOYSA-N 0 1 239.315 2.439 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C1CC1)c1nccs1 ZINC000903437888 637362144 /nfs/dbraw/zinc/36/21/44/637362144.db2.gz RBCGSWFMAJUUMW-GDPRMGEGSA-N 0 1 238.356 2.219 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000903601123 637374345 /nfs/dbraw/zinc/37/43/45/637374345.db2.gz GBQDNHCAFCWRFH-LPTSXCQYSA-N 0 1 237.343 2.075 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903602585 637376120 /nfs/dbraw/zinc/37/61/20/637376120.db2.gz KAQXHSPKTVIVST-MXWKQRLJSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1 ZINC000903788309 637382790 /nfs/dbraw/zinc/38/27/90/637382790.db2.gz IFYFGJKWZJVCHT-XYJRBWASSA-N 0 1 237.343 2.075 20 0 BEADMN CC(C)[C@@H](N)c1noc(CCC2(C)CC2)n1 ZINC000904499530 637432246 /nfs/dbraw/zinc/43/22/46/637432246.db2.gz GBYLLMTXAFIORJ-SNVBAGLBSA-N 0 1 223.320 2.458 20 0 BEADMN c1cc(-c2ccc([C@@H]3COCCN3)cc2)c[nH]1 ZINC000904844067 637502985 /nfs/dbraw/zinc/50/29/85/637502985.db2.gz PWWVHGNCIWOKFG-AWEZNQCLSA-N 0 1 228.295 2.343 20 0 BEADMN Cc1cccc([C@@H](C)[S@@](=O)Cc2c[nH]nn2)c1 ZINC000905190241 637669995 /nfs/dbraw/zinc/66/99/95/637669995.db2.gz PXETVANHLPBXFQ-QGHHPUGFSA-N 0 1 249.339 2.123 20 0 BEADMN O[C@H](CN[C@H]1c2ccccc2CC[C@@H]1F)C1CC1 ZINC000905451040 637809826 /nfs/dbraw/zinc/80/98/26/637809826.db2.gz CNRISBYPSFZDEI-ZNMIVQPWSA-N 0 1 249.329 2.373 20 0 BEADMN CC/C=C/CCn1cc(CNC(C)C)nn1 ZINC000905802645 637933082 /nfs/dbraw/zinc/93/30/82/637933082.db2.gz ZSMUIRYKQUQIRW-AATRIKPKSA-N 0 1 222.336 2.132 20 0 BEADMN Cc1oc(C[NH2+]C/C=C\Cl)cc1C(=O)[O-] ZINC000905810227 637936022 /nfs/dbraw/zinc/93/60/22/637936022.db2.gz IZKJQUNYQRACEZ-IHWYPQMZSA-N 0 1 229.663 2.128 20 0 BEADMN C[C@H]1CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000905975833 637994113 /nfs/dbraw/zinc/99/41/13/637994113.db2.gz VSDPGOLCKLBQQH-QPUJVOFHSA-N 0 1 227.254 2.092 20 0 BEADMN CC[C@@](O)(CN1CC(C)(CC)C1)C(F)(F)F ZINC000905955194 638002904 /nfs/dbraw/zinc/00/29/04/638002904.db2.gz GGAKKYULXRAWIL-SNVBAGLBSA-N 0 1 239.281 2.422 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cn(C2CC2)nn1 ZINC000906253851 638118594 /nfs/dbraw/zinc/11/85/94/638118594.db2.gz FTRFSNQHGWRGOZ-GFCCVEGCSA-N 0 1 234.347 2.378 20 0 BEADMN C[C@H]1CN(Cc2cn(C3CC3)nn2)C(C)(C)C1 ZINC000906271881 638124041 /nfs/dbraw/zinc/12/40/41/638124041.db2.gz SYFTTXOVWBKUAG-SNVBAGLBSA-N 0 1 234.347 2.233 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906272540 638124400 /nfs/dbraw/zinc/12/44/00/638124400.db2.gz GGCURBJDYKOXQY-CMPLNLGQSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)CC1(NCc2cn(C3CC3)nn2)CC1 ZINC000906317335 638132133 /nfs/dbraw/zinc/13/21/33/638132133.db2.gz NBGLGZLFXDEAPZ-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN CCN(Cc1cn(C2CC2)nn1)CC1CCC1 ZINC000906298981 638136939 /nfs/dbraw/zinc/13/69/39/638136939.db2.gz GGTAWHRGEIFOPL-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN c1c(CN2CC[C@@H]3CCCC[C@@H]32)nnn1C1CC1 ZINC000906311474 638141233 /nfs/dbraw/zinc/14/12/33/638141233.db2.gz LFVDFLFRSRICJY-FZMZJTMJSA-N 0 1 246.358 2.378 20 0 BEADMN C[C@H](C1CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC000908046204 638560647 /nfs/dbraw/zinc/56/06/47/638560647.db2.gz GFRDJHRYGCYKJT-LLVKDONJSA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@H](C)CONC(=O)c1c(C)n[nH]c1Cl ZINC000908350745 638662990 /nfs/dbraw/zinc/66/29/90/638662990.db2.gz AKPRFFULXQEFCA-LURJTMIESA-N 0 1 245.710 2.079 20 0 BEADMN CC(C)(C)C(C)(C)CNC(=O)Cc1cnc[nH]1 ZINC000908376189 638674126 /nfs/dbraw/zinc/67/41/26/638674126.db2.gz RBGBKTWYFACMSW-UHFFFAOYSA-N 0 1 237.347 2.141 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC000908380581 638676439 /nfs/dbraw/zinc/67/64/39/638676439.db2.gz NOPNUYKEWPHBFT-XYPYZODXSA-N 0 1 235.331 2.037 20 0 BEADMN CC(F)(F)CNC(=O)C(C)(C)N1CCCCC1 ZINC000908423285 638704856 /nfs/dbraw/zinc/70/48/56/638704856.db2.gz FQPHSDYDETVREK-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN CCC[C@@H](NC(=O)c1[nH]ncc1F)C(C)(C)C ZINC000908689558 639044639 /nfs/dbraw/zinc/04/46/39/639044639.db2.gz SQWRUWDNXWZXAD-SECBINFHSA-N 0 1 241.310 2.493 20 0 BEADMN O=C(C=C1CCC1)Nc1cccc2[nH]nnc21 ZINC000908700968 639052873 /nfs/dbraw/zinc/05/28/73/639052873.db2.gz SGIPKEFSNHBAJY-UHFFFAOYSA-N 0 1 228.255 2.007 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1Cn1ccsc1=O ZINC000746613208 639237608 /nfs/dbraw/zinc/23/76/08/639237608.db2.gz CXSRTVOUWKVMGO-WDEREUQCSA-N 0 1 240.372 2.378 20 0 BEADMN Cc1nc2c(n1C[C@H](O)C(C)C)CCCC2 ZINC000133784138 711468358 /nfs/dbraw/zinc/46/83/58/711468358.db2.gz HVLHIYAOJINFFR-ZDUSSCGKSA-N 0 1 222.332 2.087 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000910443904 639452178 /nfs/dbraw/zinc/45/21/78/639452178.db2.gz SOIFRCSBDIEHMN-MFKMUULPSA-N 0 1 234.299 2.445 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000930252572 639661655 /nfs/dbraw/zinc/66/16/55/639661655.db2.gz ZCRGFAYQHCLVMS-RGKGNCMFSA-N 0 1 227.348 2.077 20 0 BEADMN C[C@@H](c1ncccn1)N1CC[C@@]2(C1)CCCOC2 ZINC000930377356 639739541 /nfs/dbraw/zinc/73/95/41/639739541.db2.gz SGWQHHLVSHGZQR-GXTWGEPZSA-N 0 1 247.342 2.040 20 0 BEADMN CCCCC1(C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1 ZINC000911795358 639808815 /nfs/dbraw/zinc/80/88/15/639808815.db2.gz JMKKQTOWQRJLIT-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ncc(CN2CC[C@H](SC)C2)o1 ZINC000930610143 639820551 /nfs/dbraw/zinc/82/05/51/639820551.db2.gz PHPNDFQNAPRASF-JTQLQIEISA-N 0 1 226.345 2.174 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@H](C)c2ncccn2)C1(C)C ZINC000930629658 639829902 /nfs/dbraw/zinc/82/99/02/639829902.db2.gz WKFLCDPPZMTQLC-JTNHKYCSSA-N 0 1 249.358 2.331 20 0 BEADMN c1nnc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000930636945 639835183 /nfs/dbraw/zinc/83/51/83/639835183.db2.gz UBSYGLZAQNHYSW-AOOOYVTPSA-N 0 1 223.345 2.160 20 0 BEADMN C[C@@H](c1ncccn1)N1CC[C@H](O)CC(C)(C)C1 ZINC000930650118 639844862 /nfs/dbraw/zinc/84/48/62/639844862.db2.gz HHDJIFNCJHALGH-RYUDHWBXSA-N 0 1 249.358 2.021 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2CC(C)C2)n1 ZINC000930656808 639848961 /nfs/dbraw/zinc/84/89/61/639848961.db2.gz CULJIEYBHHDUNH-UHFFFAOYSA-N 0 1 249.358 2.361 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cnc(CC)o1 ZINC000930665938 639851889 /nfs/dbraw/zinc/85/18/89/639851889.db2.gz JIDQMPVUCWRPLU-VXGBXAGGSA-N 0 1 238.331 2.284 20 0 BEADMN Cc1ccc([C@H](O)CN2CCOC(C)(C)C2)cc1 ZINC000044159783 639894969 /nfs/dbraw/zinc/89/49/69/639894969.db2.gz SSJWOUAKRYIVMY-CQSZACIVSA-N 0 1 249.354 2.139 20 0 BEADMN CCC(CC)NC(=O)c1ccc2n1CCN[C@H]2C ZINC000911937746 639897579 /nfs/dbraw/zinc/89/75/79/639897579.db2.gz WBZKEZKDUHVFKJ-JTQLQIEISA-N 0 1 249.358 2.071 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@H](CCO)CC1 ZINC000930753878 639898411 /nfs/dbraw/zinc/89/84/11/639898411.db2.gz JTWXMLGFFGIPOU-STQMWFEESA-N 0 1 249.358 2.022 20 0 BEADMN Cc1ccc(OCCSc2cn[nH]n2)cc1 ZINC000156006627 639950579 /nfs/dbraw/zinc/95/05/79/639950579.db2.gz WQDMXQOTPSEIOX-UHFFFAOYSA-N 0 1 235.312 2.284 20 0 BEADMN C[C@@H](NCc1noc2c1COCC2)C(C)(C)C ZINC000930862917 639957810 /nfs/dbraw/zinc/95/78/10/639957810.db2.gz MEXZRTRSCUYULV-SECBINFHSA-N 0 1 238.331 2.272 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)[C@H](C(=O)[O-])C1 ZINC000129401088 639994252 /nfs/dbraw/zinc/99/42/52/639994252.db2.gz YQBFQECGURHJNB-MFKMUULPSA-N 0 1 249.310 2.077 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CC(N2CCCC2)C1 ZINC000912324908 640029411 /nfs/dbraw/zinc/02/94/11/640029411.db2.gz KOMUHTKYNFZMNG-QXMHVHEDSA-N 0 1 236.359 2.039 20 0 BEADMN CC1CC(CN2CCO[C@](C)(C(F)F)C2)C1 ZINC000931080073 640062585 /nfs/dbraw/zinc/06/25/85/640062585.db2.gz PLHIRLQPVQPUNH-CBINBANVSA-N 0 1 233.302 2.389 20 0 BEADMN c1cc(CN2CCC[C@H]2c2nnc[nH]2)cs1 ZINC000931140604 640076480 /nfs/dbraw/zinc/07/64/80/640076480.db2.gz QGGFDNBJEPFWMM-JTQLQIEISA-N 0 1 234.328 2.203 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CC=CC12CCCCC2 ZINC000912475835 640091982 /nfs/dbraw/zinc/09/19/82/640091982.db2.gz ZGRTUFCTYAALMG-UHFFFAOYSA-N 0 1 245.326 2.054 20 0 BEADMN CC(C)CC1(NC(=O)CN(C)C2CCC2)CC1 ZINC000912706154 640171026 /nfs/dbraw/zinc/17/10/26/640171026.db2.gz SKCRCKBSSAWCKE-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000912768258 640201808 /nfs/dbraw/zinc/20/18/08/640201808.db2.gz PBQXCJSBWGHCNK-AAEUAGOBSA-N 0 1 247.342 2.133 20 0 BEADMN O=C(C1=CCCCCC1)N1CC[C@H](N2CCC2)C1 ZINC000912910231 640238216 /nfs/dbraw/zinc/23/82/16/640238216.db2.gz MQOLFNQNLLYALT-AWEZNQCLSA-N 0 1 248.370 2.184 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965685 640257230 /nfs/dbraw/zinc/25/72/30/640257230.db2.gz AZCVEAUOPGMJPX-JUDLJHIGSA-N 0 1 248.330 2.215 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]2CSC[C@@H]2C1 ZINC000931547728 640268186 /nfs/dbraw/zinc/26/81/86/640268186.db2.gz FVGIHTKYHWLIHL-UTUOFQBUSA-N 0 1 249.383 2.223 20 0 BEADMN CC1(C)CCC[C@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000912971053 640268734 /nfs/dbraw/zinc/26/87/34/640268734.db2.gz CSSOCWCSYCHLAE-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN COC/C(C)=C\CN[C@@H](C)c1nccnc1C ZINC000931618780 640290702 /nfs/dbraw/zinc/29/07/02/640290702.db2.gz RENZUJWFASPNOT-VQNWOSHQSA-N 0 1 235.331 2.028 20 0 BEADMN CC1CC(CNC2(c3ncccn3)CCC2)C1 ZINC000931693142 640317954 /nfs/dbraw/zinc/31/79/54/640317954.db2.gz VNMQUPYAKJTBMM-UHFFFAOYSA-N 0 1 231.343 2.492 20 0 BEADMN CCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931797876 640372149 /nfs/dbraw/zinc/37/21/49/640372149.db2.gz HOEKJIVZMGZDEM-AWEZNQCLSA-N 0 1 227.311 2.377 20 0 BEADMN CCN(CC)c1ccc(NCc2cnc[nH]2)cn1 ZINC000054764549 640405031 /nfs/dbraw/zinc/40/50/31/640405031.db2.gz WXULNAGPTCBETG-UHFFFAOYSA-N 0 1 245.330 2.263 20 0 BEADMN FC(F)(F)[C@@H]1CN(CC2CC2)CCS1 ZINC000932081525 640421163 /nfs/dbraw/zinc/42/11/63/640421163.db2.gz WKJQUZLQCXBNFL-QMMMGPOBSA-N 0 1 225.279 2.376 20 0 BEADMN COCC(C)(C)NCc1cccnc1Cl ZINC000163866394 640425031 /nfs/dbraw/zinc/42/50/31/640425031.db2.gz WNGHKFVFYKCCMG-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN CC1(C)CCCN(CN2CCSC2=S)C1 ZINC000044548049 640438003 /nfs/dbraw/zinc/43/80/03/640438003.db2.gz NKVJKBJDJWMSOH-UHFFFAOYSA-N 0 1 244.429 2.400 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H](C)C2CC2)n1 ZINC000164055776 640438952 /nfs/dbraw/zinc/43/89/52/640438952.db2.gz BWFMOZKHPIWINJ-APPZFPTMSA-N 0 1 209.293 2.239 20 0 BEADMN C[C@@H]1CCN(CCCOC(F)(F)F)CCO1 ZINC000932335483 640476241 /nfs/dbraw/zinc/47/62/41/640476241.db2.gz HKCSYJOWJLMRIH-SECBINFHSA-N 0 1 241.253 2.024 20 0 BEADMN Cc1ccc(CN2CCO[C@H](C)CC2)cn1 ZINC000932336466 640477843 /nfs/dbraw/zinc/47/78/43/640477843.db2.gz PYAJQPKNCVADLA-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)CN(Cc1cn[nH]c1)Cc1ccccn1 ZINC000932449188 640528901 /nfs/dbraw/zinc/52/89/01/640528901.db2.gz MXDVFZJBGQMIMF-UHFFFAOYSA-N 0 1 244.342 2.463 20 0 BEADMN Cc1ccc(F)c(CN[C@@H]2COC[C@@H]2C)c1F ZINC000932486497 640551397 /nfs/dbraw/zinc/55/13/97/640551397.db2.gz ACWOMXPMXQASGU-JOYOIKCWSA-N 0 1 241.281 2.398 20 0 BEADMN C[C@H]1COC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000932500009 640559492 /nfs/dbraw/zinc/55/94/92/640559492.db2.gz WNSLADDXYWUBAU-GXSJLCMTSA-N 0 1 248.282 2.059 20 0 BEADMN CCO[C@@H](CN1CCn2cccc2C1)C1CC1 ZINC000932527143 640566912 /nfs/dbraw/zinc/56/69/12/640566912.db2.gz XTSLIOGQOXVICF-AWEZNQCLSA-N 0 1 234.343 2.119 20 0 BEADMN Cc1noc(C)c1CCN1CCn2cccc2C1 ZINC000932529039 640568782 /nfs/dbraw/zinc/56/87/82/640568782.db2.gz WRKJHWJSHUQADH-UHFFFAOYSA-N 0 1 245.326 2.151 20 0 BEADMN Cc1nc(CN[C@H](C)c2ccc(F)cc2C)n[nH]1 ZINC000932559191 640576200 /nfs/dbraw/zinc/57/62/00/640576200.db2.gz APTFQDZARINUNK-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN CCCCN1CCn2nc(C3CC3)cc2C1 ZINC000932606379 640584155 /nfs/dbraw/zinc/58/41/55/640584155.db2.gz KSZVRGLJFXZWPE-UHFFFAOYSA-N 0 1 219.332 2.376 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000932630089 640590099 /nfs/dbraw/zinc/59/00/99/640590099.db2.gz CKCQRQCWXXRPEP-NSHDSACASA-N 0 1 247.342 2.335 20 0 BEADMN CC(C)C(=O)NC1CN(CCC2CCCC2)C1 ZINC001030114154 640603113 /nfs/dbraw/zinc/60/31/13/640603113.db2.gz HFDBXNBPCBIZNL-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCO[C@H]1CCN(Cc2c(C)noc2CC)C1 ZINC000932969062 640652296 /nfs/dbraw/zinc/65/22/96/640652296.db2.gz STKWTXRZZJRSAL-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c[nH]1 ZINC000933081731 640667361 /nfs/dbraw/zinc/66/73/61/640667361.db2.gz PGQXDBWREBWOFP-CYBMUJFWSA-N 0 1 249.358 2.048 20 0 BEADMN CC[C@@H](C)CN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933159550 640672368 /nfs/dbraw/zinc/67/23/68/640672368.db2.gz YFXDKYJCHIANPK-WZRBSPASSA-N 0 1 225.332 2.060 20 0 BEADMN c1nc2cc(-c3nc(C4CC4)no3)ccc2[nH]1 ZINC000045895020 640673562 /nfs/dbraw/zinc/67/35/62/640673562.db2.gz AAVSYUUEDRICQH-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CC1CC(C)C1 ZINC000933168097 640673717 /nfs/dbraw/zinc/67/37/17/640673717.db2.gz WAYHJOGZZAVYBM-YZVRNYIASA-N 0 1 237.343 2.060 20 0 BEADMN C=C/C=C\CCN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933168135 640674418 /nfs/dbraw/zinc/67/44/18/640674418.db2.gz WSOPSLVZAIQILG-QDSCNLCFSA-N 0 1 235.327 2.146 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCOC[C@@H]2CC2CC2)O1 ZINC000933206984 640678291 /nfs/dbraw/zinc/67/82/91/640678291.db2.gz AXOACMYNXACPIL-KWCYVHTRSA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)=CCN1CCOC[C@@H]1CC1CC1 ZINC000933215521 640682029 /nfs/dbraw/zinc/68/20/29/640682029.db2.gz RTBDCZYGOUVBBC-ZDUSSCGKSA-N 0 1 209.333 2.454 20 0 BEADMN O=C(C=C1CCC1)NC1CN(CC2CCCC2)C1 ZINC001030206684 640682954 /nfs/dbraw/zinc/68/29/54/640682954.db2.gz GKXAEASTROJOJH-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN CC[C@@H](C)N1CCc2c(ncn2CC)C1 ZINC000933253621 640690538 /nfs/dbraw/zinc/69/05/38/640690538.db2.gz HXOSMAYZRFNKSB-SNVBAGLBSA-N 0 1 207.321 2.060 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2CC2(C)C)n1 ZINC000225434629 640693165 /nfs/dbraw/zinc/69/31/65/640693165.db2.gz ARGMCCBKBNGJNJ-YUMQZZPRSA-N 0 1 209.293 2.239 20 0 BEADMN COc1ccc([C@@H](C)NCC(C)=O)cc1C ZINC000933484542 640720973 /nfs/dbraw/zinc/72/09/73/640720973.db2.gz LDXHDOGVRWOYPZ-LLVKDONJSA-N 0 1 221.300 2.243 20 0 BEADMN CC(C)=CCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933672005 640741789 /nfs/dbraw/zinc/74/17/89/640741789.db2.gz OEQNMTLEGAZVRI-UONOGXRCSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1nnc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)o1 ZINC000933705480 640747179 /nfs/dbraw/zinc/74/71/79/640747179.db2.gz LPXNZDHSNHYKBW-CZXHOFHRSA-N 0 1 247.342 2.246 20 0 BEADMN Cc1nnc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)o1 ZINC000933705480 640747184 /nfs/dbraw/zinc/74/71/84/640747184.db2.gz LPXNZDHSNHYKBW-CZXHOFHRSA-N 0 1 247.342 2.246 20 0 BEADMN CONC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000058835220 640747405 /nfs/dbraw/zinc/74/74/05/640747405.db2.gz LQDGLWAMHXTROY-UHFFFAOYSA-N 0 1 227.691 2.295 20 0 BEADMN CC(C)Oc1ccccc1CN1CC[C@H]1CO ZINC000934022894 640808993 /nfs/dbraw/zinc/80/89/93/640808993.db2.gz AUBSGFBOWRSMLB-ZDUSSCGKSA-N 0 1 235.327 2.040 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cnc(C)s1 ZINC000934103766 640812421 /nfs/dbraw/zinc/81/24/21/640812421.db2.gz FSRCRMDRRGPXPL-QWRGUYRKSA-N 0 1 226.345 2.061 20 0 BEADMN CC(C)(O)C(C)(C)NC/C(Cl)=C/Cl ZINC000227347740 640829280 /nfs/dbraw/zinc/82/92/80/640829280.db2.gz HOPYGXKDLIOSFH-ALCCZGGFSA-N 0 1 226.147 2.445 20 0 BEADMN C[C@H](NCC1CCSCC1)C(F)F ZINC000228521616 640878541 /nfs/dbraw/zinc/87/85/41/640878541.db2.gz XKXGTCORDWCGGQ-ZETCQYMHSA-N 0 1 209.305 2.373 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cccnc1Cl ZINC000723032267 711496388 /nfs/dbraw/zinc/49/63/88/711496388.db2.gz JZRYCJNNXZWBDC-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000229307475 640946837 /nfs/dbraw/zinc/94/68/37/640946837.db2.gz WMMJAPCYSNLRDG-MWLCHTKSSA-N 0 1 239.340 2.433 20 0 BEADMN CCCCCCNC(=O)CN1CCC(C)CC1 ZINC000061758100 640993182 /nfs/dbraw/zinc/99/31/82/640993182.db2.gz XVCCLLMVKJASRG-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1cccc2c1CC[N@@H+](CCn1cccn1)C2 ZINC000171609234 640995016 /nfs/dbraw/zinc/99/50/16/640995016.db2.gz KLHPGNHOJHTBLT-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN CC1(C)OC[C@H](CNc2ccc3c(n2)CCC3)O1 ZINC000230239465 641040107 /nfs/dbraw/zinc/04/01/07/641040107.db2.gz FBOZBUGVCXURLA-NSHDSACASA-N 0 1 248.326 2.134 20 0 BEADMN CCCN[C@H](C)c1nc([C@@H]2CCCOC2)no1 ZINC000087815806 641053989 /nfs/dbraw/zinc/05/39/89/641053989.db2.gz JPSHNCZEJTVBSQ-NXEZZACHSA-N 0 1 239.319 2.024 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)CCC(F)(F)F ZINC000934111280 641074108 /nfs/dbraw/zinc/07/41/08/641074108.db2.gz HNMHIALUPISWDA-SFYZADRCSA-N 0 1 211.227 2.048 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)CCC(F)(F)F ZINC000934111282 641074242 /nfs/dbraw/zinc/07/42/42/641074242.db2.gz HNMHIALUPISWDA-YUMQZZPRSA-N 0 1 211.227 2.048 20 0 BEADMN CCCCC1(NCc2nonc2C)CC1 ZINC000934203050 641100883 /nfs/dbraw/zinc/10/08/83/641100883.db2.gz NPGSSKLMUMDLPY-UHFFFAOYSA-N 0 1 209.293 2.190 20 0 BEADMN CC[C@@H](C)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000062877495 641104195 /nfs/dbraw/zinc/10/41/95/641104195.db2.gz XFHRJKWXNKPSJH-ZYHUDNBSSA-N 0 1 213.321 2.362 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](C)CC ZINC000172775292 641111702 /nfs/dbraw/zinc/11/17/02/641111702.db2.gz PECLTHHNFWWSNA-VHSXEESVSA-N 0 1 201.310 2.058 20 0 BEADMN CN(Cn1cnc(-c2ccccc2)n1)C1CCC1 ZINC000172963139 641137704 /nfs/dbraw/zinc/13/77/04/641137704.db2.gz NSZKVKHFWDHIDI-UHFFFAOYSA-N 0 1 242.326 2.387 20 0 BEADMN CCO[C@H]1CCN(CCSC(F)(F)F)C1 ZINC000932970445 641167379 /nfs/dbraw/zinc/16/73/79/641167379.db2.gz CGURXAQLGQDJMQ-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000173303799 641168615 /nfs/dbraw/zinc/16/86/15/641168615.db2.gz PWZODFIIUNAUFL-LBPRGKRZSA-N 0 1 238.375 2.465 20 0 BEADMN O[C@@H]1CCN(CCC2CCCCC2)C[C@@H]1F ZINC000934565214 641196230 /nfs/dbraw/zinc/19/62/30/641196230.db2.gz GOQSCDPEIUEUHV-QWHCGFSZSA-N 0 1 229.339 2.362 20 0 BEADMN O[C@H]1CCN(CCC2=CCCCC2)C[C@H]1F ZINC000934565008 641197080 /nfs/dbraw/zinc/19/70/80/641197080.db2.gz KNRSZRYYJUQKQL-OLZOCXBDSA-N 0 1 227.323 2.282 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NCc1nc(C(F)F)no1 ZINC000934619281 641215375 /nfs/dbraw/zinc/21/53/75/641215375.db2.gz KGCNGLKKWJHNNV-HTQZYQBOSA-N 0 1 243.257 2.452 20 0 BEADMN CSCC(C)(C)NCc1cc(Cl)n(C)n1 ZINC000934664719 641236742 /nfs/dbraw/zinc/23/67/42/641236742.db2.gz SNAPIQROQRNEOI-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN CCN(CN1C[C@H](CC(C)C)CC1=O)C1CC1 ZINC000174071333 641242418 /nfs/dbraw/zinc/24/24/18/641242418.db2.gz SRYIWLQBLTWLQU-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN c1nc(CN[C@H](c2ccncc2)C2CC2)c[nH]1 ZINC000934695645 641247674 /nfs/dbraw/zinc/24/76/74/641247674.db2.gz CJDSPIZTWAJKDO-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN Cn1nccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934700110 641251282 /nfs/dbraw/zinc/25/12/82/641251282.db2.gz ZSADHOLLFSFHDB-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN CCCN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934791314 641271036 /nfs/dbraw/zinc/27/10/36/641271036.db2.gz BUMUWTAMULVCLI-AOOOYVTPSA-N 0 1 238.297 2.353 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)CCC2(C)CC2)n[nH]1 ZINC000934924549 641302367 /nfs/dbraw/zinc/30/23/67/641302367.db2.gz IGPVBFYODXKPKV-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@@H](c1nc(N(C)C)no1)N1[C@H](C)CC[C@H]1C ZINC000350602914 641373424 /nfs/dbraw/zinc/37/34/24/641373424.db2.gz UTMZDGSNNCNGRM-BBBLOLIVSA-N 0 1 238.335 2.069 20 0 BEADMN CCOC(=O)/C=C\CN1CC[C@H](c2ccco2)C1 ZINC000929619720 641377659 /nfs/dbraw/zinc/37/76/59/641377659.db2.gz OFXUULCDWHVIBU-RYBZSIHZSA-N 0 1 249.310 2.188 20 0 BEADMN C[C@@H](c1ncccn1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000929715948 641415859 /nfs/dbraw/zinc/41/58/59/641415859.db2.gz ZMDGKXIIIHOIOA-GARJFASQSA-N 0 1 217.316 2.125 20 0 BEADMN CC(C)CC(C)(C)C(=O)NC12CCN(CC1)C2 ZINC000913631009 641434115 /nfs/dbraw/zinc/43/41/15/641434115.db2.gz MYLYMJRBVXSWIS-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](CC(=O)Nc1c[nH]nn1)C(C)(C)C ZINC000935594377 641434798 /nfs/dbraw/zinc/43/47/98/641434798.db2.gz GBDSMQRGLWAYNZ-QMMMGPOBSA-N 0 1 224.308 2.206 20 0 BEADMN CC1=C(C)C[C@H](C(=O)NC23CCN(CC2)C3)CC1 ZINC000913635845 641436656 /nfs/dbraw/zinc/43/66/56/641436656.db2.gz PQPSMVZPJKBGOD-CYBMUJFWSA-N 0 1 248.370 2.087 20 0 BEADMN O=C(NC1CC(F)(F)C1)c1cccc(F)c1O ZINC000935648286 641453636 /nfs/dbraw/zinc/45/36/36/641453636.db2.gz HGWFZSDBWXMPAU-UHFFFAOYSA-N 0 1 245.200 2.059 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc(F)c1O ZINC000935737278 641472807 /nfs/dbraw/zinc/47/28/07/641472807.db2.gz JJKSSRRWGSKTRU-HTQZYQBOSA-N 0 1 223.247 2.154 20 0 BEADMN C/C=C\C(=O)NC[C@H](c1cccs1)N(C)C ZINC000211364290 641478170 /nfs/dbraw/zinc/47/81/70/641478170.db2.gz MYJBUQUVERMZGN-AYYIZTPMSA-N 0 1 238.356 2.043 20 0 BEADMN CC(C)[C@H](N)c1noc(Cc2ccc(F)cc2)n1 ZINC000041123834 641543135 /nfs/dbraw/zinc/54/31/35/641543135.db2.gz FRTWBMVXNNSMII-LBPRGKRZSA-N 0 1 249.289 2.455 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000157013829 641612695 /nfs/dbraw/zinc/61/26/95/641612695.db2.gz KGPHDAZMXYSQLC-LLVKDONJSA-N 0 1 233.311 2.298 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(CC)CC ZINC000158558837 641638886 /nfs/dbraw/zinc/63/88/86/641638886.db2.gz YFMCBVRJDBCQRR-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)cc1 ZINC000158553656 641640466 /nfs/dbraw/zinc/64/04/66/641640466.db2.gz IVRLYSANYDWPFF-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN CCC[C@H](C)CCNC(=O)CN1CCCC1 ZINC000914364146 641646521 /nfs/dbraw/zinc/64/65/21/641646521.db2.gz PZQWJZYPPSWKMZ-LBPRGKRZSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C)C[C@@H]1C ZINC000159791902 641702373 /nfs/dbraw/zinc/70/23/73/641702373.db2.gz ZGQSXZISIJTGJM-XQHKEYJVSA-N 0 1 238.375 2.022 20 0 BEADMN CN(CCC(=O)[O-])c1cc(C(C)(C)C)cc[nH+]1 ZINC000212973481 641706054 /nfs/dbraw/zinc/70/60/54/641706054.db2.gz OCKRILBMXVTYNJ-UHFFFAOYSA-N 0 1 236.315 2.290 20 0 BEADMN CC(C)SCC(=O)OCCN1CCCCC1 ZINC000914459068 641714930 /nfs/dbraw/zinc/71/49/30/641714930.db2.gz AFBCRBBQBBCWAQ-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CC=CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000228123988 641745402 /nfs/dbraw/zinc/74/54/02/641745402.db2.gz QTWVTSAVRFHTDO-ARJAWSKDSA-N 0 1 215.256 2.386 20 0 BEADMN CCC(CC)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188295447 641751201 /nfs/dbraw/zinc/75/12/01/641751201.db2.gz OJQYVCNJAIEXAO-UHFFFAOYSA-N 0 1 249.358 2.136 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CCN[C@H](C)C1 ZINC000188429384 641757116 /nfs/dbraw/zinc/75/71/16/641757116.db2.gz OSDAHASKTXYJTP-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCN1CCN(C(=O)CC2(C)CC2)CC1 ZINC000949342139 641836521 /nfs/dbraw/zinc/83/65/21/641836521.db2.gz FNCOOUIYHUVVDI-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCC(CC)CN1CC(NC(=O)C(C)(C)C)C1 ZINC001031293389 641874126 /nfs/dbraw/zinc/87/41/26/641874126.db2.gz YNQFSCUYDDMGNB-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000153780488 641887232 /nfs/dbraw/zinc/88/72/32/641887232.db2.gz YPPWWRSOEWIVRH-OTAKNEKHSA-N 0 1 238.375 2.141 20 0 BEADMN COC[C@H]1CCN(Cc2cccnc2Cl)C1 ZINC000077897116 641887309 /nfs/dbraw/zinc/88/73/09/641887309.db2.gz LWBLNUQAUWJFPR-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN CC(C)NC(=O)CN1Cc2ccccc2[C@@H](C)C1 ZINC000916152202 641912505 /nfs/dbraw/zinc/91/25/05/641912505.db2.gz PLSJPCZHLYZWMS-LBPRGKRZSA-N 0 1 246.354 2.130 20 0 BEADMN CCOCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000916589394 641952062 /nfs/dbraw/zinc/95/20/62/641952062.db2.gz FSPFDGQEGKEXKG-UHFFFAOYSA-N 0 1 244.674 2.239 20 0 BEADMN CCOC(=O)C[C@H](C)SCc1[nH]ncc1C ZINC000917060914 641997894 /nfs/dbraw/zinc/99/78/94/641997894.db2.gz ANUXCZMDESNDBZ-VIFPVBQESA-N 0 1 242.344 2.293 20 0 BEADMN CC(F)(F)CCCSc1cn[nH]n1 ZINC000917174306 642027131 /nfs/dbraw/zinc/02/71/31/642027131.db2.gz VVRKFQFYUIGUGU-UHFFFAOYSA-N 0 1 207.249 2.332 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1CC=CCC1 ZINC000925438068 642055177 /nfs/dbraw/zinc/05/51/77/642055177.db2.gz UOQBTWNRVGCZHM-PSASIEDQSA-N 0 1 207.277 2.137 20 0 BEADMN Cc1ccc(Sc2c(C)[nH][nH]c2=O)s1 ZINC000917828623 642131492 /nfs/dbraw/zinc/13/14/92/642131492.db2.gz GIQXSCWNPWHHHB-MRVPVSSYSA-N 0 1 226.326 2.023 20 0 BEADMN COC(=O)C(C)(C)CSCc1[nH]ncc1C ZINC000918462095 642199983 /nfs/dbraw/zinc/19/99/83/642199983.db2.gz ACBNTAJKLGCLJO-UHFFFAOYSA-N 0 1 242.344 2.151 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cnn(C)n1 ZINC000925466273 642345263 /nfs/dbraw/zinc/34/52/63/642345263.db2.gz MDQILKXCXHLKEN-CYZMBNFOSA-N 0 1 248.374 2.435 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cnn(C)n1 ZINC000925466276 642345835 /nfs/dbraw/zinc/34/58/35/642345835.db2.gz MDQILKXCXHLKEN-WCFLWFBJSA-N 0 1 248.374 2.435 20 0 BEADMN CCc1onc(C)c1CN1CCOC[C@H](C)C1 ZINC000930087130 642366579 /nfs/dbraw/zinc/36/65/79/642366579.db2.gz SFDRFKIFHPJORZ-SNVBAGLBSA-N 0 1 238.331 2.014 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC000050924907 642368274 /nfs/dbraw/zinc/36/82/74/642368274.db2.gz GIMHJFRGOXXEOU-KFEJWOFMSA-N 0 1 231.723 2.458 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933255771 642423562 /nfs/dbraw/zinc/42/35/62/642423562.db2.gz DWKKNFMRBXGYBQ-WAYWQWQTSA-N 0 1 231.343 2.393 20 0 BEADMN C=C/C=C\CCN1CCc2c(ncn2CC)C1 ZINC000933255771 642423567 /nfs/dbraw/zinc/42/35/67/642423567.db2.gz DWKKNFMRBXGYBQ-WAYWQWQTSA-N 0 1 231.343 2.393 20 0 BEADMN CCCCCC(C)(C)C(=O)N1CCN[C@H](C)C1 ZINC000155186460 642437697 /nfs/dbraw/zinc/43/76/97/642437697.db2.gz VEHOWICXVMKVAV-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN OC[C@@H](NC/C=C\Cl)c1ccsc1 ZINC000308188097 642481882 /nfs/dbraw/zinc/48/18/82/642481882.db2.gz KXQRDLIRGFCUDT-MAYCQVCUSA-N 0 1 217.721 2.124 20 0 BEADMN CCNc1ccnc(C)c1Br ZINC000891416363 642497795 /nfs/dbraw/zinc/49/77/95/642497795.db2.gz BRMSPIFHTRBDEZ-UHFFFAOYSA-N 0 1 215.094 2.006 20 0 BEADMN CCC/C=C/C(=O)Nc1c(C)n[nH]c1C ZINC000920478893 642513408 /nfs/dbraw/zinc/51/34/08/642513408.db2.gz URPSRDZIEIPHER-VOTSOKGWSA-N 0 1 207.277 2.321 20 0 BEADMN C[C@H](NCc1cnn(CCF)c1)c1ccncc1 ZINC000921475371 642633940 /nfs/dbraw/zinc/63/39/40/642633940.db2.gz WRCNIANMPJDQHZ-NSHDSACASA-N 0 1 248.305 2.098 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000233934050 642709799 /nfs/dbraw/zinc/70/97/99/642709799.db2.gz YLJMFYRDAGGBHA-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@@H]1C[C@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000233914202 642710323 /nfs/dbraw/zinc/71/03/23/642710323.db2.gz VEAONKCDGOHDHT-PSASIEDQSA-N 0 1 220.272 2.299 20 0 BEADMN CC(C)COC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000181472547 642875851 /nfs/dbraw/zinc/87/58/51/642875851.db2.gz HTWCDEZYJGSGHA-STQMWFEESA-N 0 1 239.359 2.308 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1ccsc1 ZINC000069795008 642905668 /nfs/dbraw/zinc/90/56/68/642905668.db2.gz XJWZXWYJINDFKO-MRVPVSSYSA-N 0 1 237.328 2.160 20 0 BEADMN CC[C@@H]1C[C@H](NCc2cc(C)on2)CCO1 ZINC000069890497 642927949 /nfs/dbraw/zinc/92/79/49/642927949.db2.gz CQHLIJYELGZUQR-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001017387267 642973154 /nfs/dbraw/zinc/97/31/54/642973154.db2.gz LUGWIFPPOMEYKG-WCKULRIQSA-N 0 1 248.370 2.038 20 0 BEADMN CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001017353269 642973544 /nfs/dbraw/zinc/97/35/44/642973544.db2.gz CAKVEZCQGJBOCY-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CO[C@@H](C)CNC1(c2ccccc2F)CC1 ZINC000182437618 643019964 /nfs/dbraw/zinc/01/99/64/643019964.db2.gz VIZWTVZHFTWKLD-JTQLQIEISA-N 0 1 223.291 2.439 20 0 BEADMN COC(OC)[C@@H](C)NCc1ccccc1Cl ZINC000070653021 643055307 /nfs/dbraw/zinc/05/53/07/643055307.db2.gz KIGGPOYVWIVWOW-SECBINFHSA-N 0 1 243.734 2.437 20 0 BEADMN CCn1cc(CNCc2ccc(O)cc2)c(C)n1 ZINC000020352454 643060168 /nfs/dbraw/zinc/06/01/68/643060168.db2.gz LMILYIQBZNHDPB-UHFFFAOYSA-N 0 1 245.326 2.207 20 0 BEADMN CCCN[C@H](C)c1nc(CC(C)C)no1 ZINC000071000195 643093200 /nfs/dbraw/zinc/09/32/00/643093200.db2.gz JAFAWQABEVQGDN-SECBINFHSA-N 0 1 211.309 2.329 20 0 BEADMN CCCN[C@@H](C)c1nc(CC(C)C)no1 ZINC000071000192 643093452 /nfs/dbraw/zinc/09/34/52/643093452.db2.gz JAFAWQABEVQGDN-VIFPVBQESA-N 0 1 211.309 2.329 20 0 BEADMN CCN(CC(C)C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183293540 643104442 /nfs/dbraw/zinc/10/44/42/643104442.db2.gz YNVMIFARODALKZ-UHFFFAOYSA-N 0 1 240.307 2.035 20 0 BEADMN CCCOc1ccc(CNCc2c[nH]cn2)cc1 ZINC000112341397 643333179 /nfs/dbraw/zinc/33/31/79/643333179.db2.gz DQOUGCCMBCFTLI-UHFFFAOYSA-N 0 1 245.326 2.488 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)C[C@H]1C[C@@H]1C ZINC000082648550 643363617 /nfs/dbraw/zinc/36/36/17/643363617.db2.gz UMQFHJUCKPJQMO-WCBMZHEXSA-N 0 1 241.766 2.470 20 0 BEADMN CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001032249154 643399689 /nfs/dbraw/zinc/39/96/89/643399689.db2.gz ATPUCDGWDPKNNP-STQMWFEESA-N 0 1 236.359 2.038 20 0 BEADMN c1ncc(-c2noc([C@H]3CCCCN3)n2)s1 ZINC000083126686 643417037 /nfs/dbraw/zinc/41/70/37/643417037.db2.gz UCHIJJGJGMHNNI-SSDOTTSWSA-N 0 1 236.300 2.008 20 0 BEADMN Cc1ccc(C[N@@H+](CCC(=O)[O-])C2CC2)s1 ZINC000083405255 643447960 /nfs/dbraw/zinc/44/79/60/643447960.db2.gz OAFJAJKJOLKJAO-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2CCCS2)n1 ZINC000070004740 643453380 /nfs/dbraw/zinc/45/33/80/643453380.db2.gz BTDYZEHMZIOGPP-HTQZYQBOSA-N 0 1 227.333 2.294 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000932788165 643479398 /nfs/dbraw/zinc/47/93/98/643479398.db2.gz YNSWMXFDRKKVFM-NSHDSACASA-N 0 1 233.315 2.081 20 0 BEADMN C[C@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000735483788 643544866 /nfs/dbraw/zinc/54/48/66/643544866.db2.gz BDAJZYZLKFNMRG-LBPRGKRZSA-N 0 1 242.326 2.244 20 0 BEADMN CC(C)CN(C)Cn1cnc(-c2ccccc2)n1 ZINC000735483841 643545550 /nfs/dbraw/zinc/54/55/50/643545550.db2.gz DZWQOMGQLPOFSL-UHFFFAOYSA-N 0 1 244.342 2.490 20 0 BEADMN C=C(Cl)CN1CCN(C2CCCC2)CC1 ZINC000045823065 643559345 /nfs/dbraw/zinc/55/93/45/643559345.db2.gz IJOONABWCZQLMS-UHFFFAOYSA-N 0 1 228.767 2.299 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000083638310 643601158 /nfs/dbraw/zinc/60/11/58/643601158.db2.gz KBVNRZDXOQLRHT-PHIMTYICSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@H]1CN(C/C=C/Cl)CCCO1 ZINC000307757422 643625116 /nfs/dbraw/zinc/62/51/16/643625116.db2.gz LDTVBKHGEVKETN-GFAPAMAISA-N 0 1 203.713 2.240 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC=CO2)cs1 ZINC000050269511 643672901 /nfs/dbraw/zinc/67/29/01/643672901.db2.gz CAAQCIUSZWZDKE-NSHDSACASA-N 0 1 224.329 2.234 20 0 BEADMN CC(C)c1cc(CNCc2cc[nH]c(=O)c2)on1 ZINC000921740019 643768460 /nfs/dbraw/zinc/76/84/60/643768460.db2.gz CDMUQCSYTMHNLD-UHFFFAOYSA-N 0 1 247.298 2.188 20 0 BEADMN COC[C@@H](CN(C)Cc1cc(C)on1)C(C)C ZINC000929257774 643830459 /nfs/dbraw/zinc/83/04/59/643830459.db2.gz QGCOTVWNQWSDHL-GFCCVEGCSA-N 0 1 240.347 2.333 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2CCO[C@@H]2C)c1 ZINC000921951296 643832100 /nfs/dbraw/zinc/83/21/00/643832100.db2.gz VFWOPLTYLZGLSY-KOLCDFICSA-N 0 1 240.734 2.310 20 0 BEADMN Cc1cc(CN(C)CC2CC(C)C2)no1 ZINC000929258942 643835009 /nfs/dbraw/zinc/83/50/09/643835009.db2.gz KFTQZUDUSUYUAS-UHFFFAOYSA-N 0 1 208.305 2.461 20 0 BEADMN CO[C@H](C)CNCc1cc(C)cnc1Cl ZINC000922039473 643852138 /nfs/dbraw/zinc/85/21/38/643852138.db2.gz PFVTYPLZVNSOIR-SECBINFHSA-N 0 1 228.723 2.168 20 0 BEADMN CCCCN(Cc1[nH]nc2c1COCC2)C1CC1 ZINC000929266198 643871718 /nfs/dbraw/zinc/87/17/18/643871718.db2.gz HPQWOYKAXIGJFK-UHFFFAOYSA-N 0 1 249.358 2.247 20 0 BEADMN CCCc1ncc(CNCc2cc[nH]c(=O)c2)o1 ZINC000922162836 643887088 /nfs/dbraw/zinc/88/70/88/643887088.db2.gz WECHXWGJVYZFFK-UHFFFAOYSA-N 0 1 247.298 2.018 20 0 BEADMN Cc1cc(NCc2cnc[nH]2)nn1C(C)C ZINC000922195059 643899686 /nfs/dbraw/zinc/89/96/86/643899686.db2.gz QOWLUZANJNXRIW-UHFFFAOYSA-N 0 1 219.292 2.108 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1nccc2c1CCCC2 ZINC000922264292 643934927 /nfs/dbraw/zinc/93/49/27/643934927.db2.gz QUONJDLJVYPQNQ-CABCVRRESA-N 0 1 246.354 2.227 20 0 BEADMN CCc1ccc(NC(=O)C2(N(C)C)CCC2)nc1 ZINC000922471711 643998955 /nfs/dbraw/zinc/99/89/55/643998955.db2.gz DRJRHYTVZJGGSB-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN CCn1ccnc1CN[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000922511488 644010178 /nfs/dbraw/zinc/01/01/78/644010178.db2.gz MXVJOBHOCKVTCJ-WISYIIOYSA-N 0 1 219.332 2.037 20 0 BEADMN CC[C@@H]1C[C@H]1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000922522443 644012714 /nfs/dbraw/zinc/01/27/14/644012714.db2.gz DQAFEGDYKUBTMV-VWYCJHECSA-N 0 1 248.326 2.419 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2COC[C@@H]2C)c1 ZINC000922638656 644046092 /nfs/dbraw/zinc/04/60/92/644046092.db2.gz JZBOQVUMQBBTBM-GXSJLCMTSA-N 0 1 240.734 2.168 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cnn2c1CCC2 ZINC000922644614 644048672 /nfs/dbraw/zinc/04/86/72/644048672.db2.gz JTAHJAHYEYIHBF-AATRIKPKSA-N 0 1 239.750 2.450 20 0 BEADMN CC(C)(/C=C/Cl)NCc1ccncc1N ZINC000922645826 644050615 /nfs/dbraw/zinc/05/06/15/644050615.db2.gz WLAVBKGSWYIVQS-SNAWJCMRSA-N 0 1 225.723 2.285 20 0 BEADMN C[C@@]1(CNCc2nccs2)CCCCO1 ZINC000922815314 644105251 /nfs/dbraw/zinc/10/52/51/644105251.db2.gz AJQUIMVIIYFXEQ-NSHDSACASA-N 0 1 226.345 2.192 20 0 BEADMN CCC[C@H](O)CCNCc1nccn1C(C)C ZINC000922816555 644107221 /nfs/dbraw/zinc/10/72/21/644107221.db2.gz ITZJZFRILRAAOO-LBPRGKRZSA-N 0 1 239.363 2.105 20 0 BEADMN CCC(=O)N(C)C1CCN(C/C=C/Cl)CC1 ZINC001005016419 644161299 /nfs/dbraw/zinc/16/12/99/644161299.db2.gz OKMLYHYAHXAVRH-QPJJXVBHSA-N 0 1 244.766 2.072 20 0 BEADMN C[C@@H]1CN(Cc2cn[nH]c2)C[C@H](C)C1(F)F ZINC000625654467 644167245 /nfs/dbraw/zinc/16/72/45/644167245.db2.gz OFVVBQKEAUIBHZ-DTORHVGOSA-N 0 1 229.274 2.133 20 0 BEADMN CC(C)(C)[C@@H](CO)NC/C(Cl)=C/Cl ZINC000193109762 644214797 /nfs/dbraw/zinc/21/47/97/644214797.db2.gz ZCTLEDRJXCHENI-RBMBQVQZSA-N 0 1 226.147 2.302 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccoc1 ZINC000086755223 644174494 /nfs/dbraw/zinc/17/44/94/644174494.db2.gz ZMJHBUDFDJLMAM-LBPRGKRZSA-N 0 1 237.299 2.499 20 0 BEADMN CCOCCOCCNCc1ccc(Cl)o1 ZINC000922941770 644196213 /nfs/dbraw/zinc/19/62/13/644196213.db2.gz OGWPQSXLWKQOIR-UHFFFAOYSA-N 0 1 247.722 2.076 20 0 BEADMN CCCCN1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000951139970 644196349 /nfs/dbraw/zinc/19/63/49/644196349.db2.gz VHGJMVFFEHXKLL-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1ccsc1CNCc1cncc(O)c1 ZINC000922976637 644212051 /nfs/dbraw/zinc/21/20/51/644212051.db2.gz DLWYJSDWRGRKKZ-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CCc1onc(C)c1CN[C@@H]1CO[C@H](CC)C1 ZINC000922982188 644215015 /nfs/dbraw/zinc/21/50/15/644215015.db2.gz OWRDJLQZTWCINL-WDEREUQCSA-N 0 1 238.331 2.203 20 0 BEADMN OC[C@H]1C[C@H](NCc2c(F)cccc2Cl)C1 ZINC000923007608 644225560 /nfs/dbraw/zinc/22/55/60/644225560.db2.gz KLZXVJWSUOQCPJ-KYZUINATSA-N 0 1 243.709 2.340 20 0 BEADMN CC1(CNCc2noc3c2COCC3)CCC1 ZINC000923015283 644234229 /nfs/dbraw/zinc/23/42/29/644234229.db2.gz PXPXFYMWOYHDQE-UHFFFAOYSA-N 0 1 236.315 2.027 20 0 BEADMN CC(C)C[C@H](C)NCc1noc2c1COCC2 ZINC000923015310 644234250 /nfs/dbraw/zinc/23/42/50/644234250.db2.gz JAZZQLXTTQQRBX-JTQLQIEISA-N 0 1 238.331 2.272 20 0 BEADMN Cc1nc(CNC2([C@H]3CCCCO3)CC2)[nH]c1C ZINC000923027350 644237443 /nfs/dbraw/zinc/23/74/43/644237443.db2.gz ABJZPEWCTBZNIY-GFCCVEGCSA-N 0 1 249.358 2.218 20 0 BEADMN c1coc(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000923028178 644238343 /nfs/dbraw/zinc/23/83/43/644238343.db2.gz UXNXSKXMQACALB-LBPRGKRZSA-N 0 1 221.300 2.471 20 0 BEADMN c1ccc(CNC2([C@H]3CCCCO3)CC2)nc1 ZINC000923027539 644238492 /nfs/dbraw/zinc/23/84/92/644238492.db2.gz MWFQSUSVYGQCQX-CYBMUJFWSA-N 0 1 232.327 2.273 20 0 BEADMN Cc1nc(C)c(CN[C@]23C[C@H]2COC32CCC2)o1 ZINC000923032412 644239277 /nfs/dbraw/zinc/23/92/77/644239277.db2.gz ZCSXUMFINABZNS-SMDDNHRTSA-N 0 1 248.326 2.093 20 0 BEADMN c1coc(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000923037220 644241204 /nfs/dbraw/zinc/24/12/04/644241204.db2.gz OKZABOWZUYRDQZ-GXFFZTMASA-N 0 1 219.284 2.081 20 0 BEADMN Cl/C=C/CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866852 644284403 /nfs/dbraw/zinc/28/44/03/644284403.db2.gz QYFWIZBSDKOTDU-FWYAXHSGSA-N 0 1 225.723 2.342 20 0 BEADMN CC(C)CCCCCC(=O)NCc1nnc[nH]1 ZINC000081412656 644320708 /nfs/dbraw/zinc/32/07/08/644320708.db2.gz VYBTZSQRRGQPHT-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CC(C)Cn1ccnc1CNC[C@H]1CCC=CO1 ZINC000194562498 644329073 /nfs/dbraw/zinc/32/90/73/644329073.db2.gz JVJNEJWXCGWXMA-CYBMUJFWSA-N 0 1 249.358 2.321 20 0 BEADMN C[C@@H](NC(=O)C(F)(F)F)c1ccsc1 ZINC000081562425 644331603 /nfs/dbraw/zinc/33/16/03/644331603.db2.gz SJUQCGJRFYQMPM-RXMQYKEDSA-N 0 1 223.219 2.488 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H]2CCC=CO2)CCO1 ZINC000194831148 644347212 /nfs/dbraw/zinc/34/72/12/644347212.db2.gz XEEVQQRIQLTIDN-STQMWFEESA-N 0 1 225.332 2.180 20 0 BEADMN CC[C@@H]1CN(CCc2cccs2)CCO1 ZINC000195313224 644375231 /nfs/dbraw/zinc/37/52/31/644375231.db2.gz ZYOWQVMXXZWGAD-LLVKDONJSA-N 0 1 225.357 2.401 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000083414164 644403486 /nfs/dbraw/zinc/40/34/86/644403486.db2.gz QRVWUMRMQQEITD-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccoc1)C1CCCC1 ZINC000083405872 644404185 /nfs/dbraw/zinc/40/41/85/644404185.db2.gz JGXKRIIDTDPAEQ-UHFFFAOYSA-N 0 1 223.272 2.109 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086334834 644460745 /nfs/dbraw/zinc/46/07/45/644460745.db2.gz VYPXIMBCUSYSAA-SSDOTTSWSA-N 0 1 245.731 2.308 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000086782893 644471861 /nfs/dbraw/zinc/47/18/61/644471861.db2.gz HEYJCBWHDHDYBM-CQSZACIVSA-N 0 1 249.310 2.079 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1cccc(O)c1 ZINC000086814371 644472142 /nfs/dbraw/zinc/47/21/42/644472142.db2.gz WGVVBKPTCQFMTG-CYBMUJFWSA-N 0 1 249.310 2.221 20 0 BEADMN C[C@H](NCCF)c1ccnc(Cl)c1 ZINC000308320976 711521940 /nfs/dbraw/zinc/52/19/40/711521940.db2.gz BCHCHGIZTSMIEM-ZETCQYMHSA-N 0 1 202.660 2.355 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000245641453 644533588 /nfs/dbraw/zinc/53/35/88/644533588.db2.gz ZAMIZZOKHOSNIY-QWHCGFSZSA-N 0 1 239.359 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245866399 644548959 /nfs/dbraw/zinc/54/89/59/644548959.db2.gz GEPZHWLHSVNNKB-WOPDTQHZSA-N 0 1 227.348 2.306 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@@H](CC)C1 ZINC000246267497 644577267 /nfs/dbraw/zinc/57/72/67/644577267.db2.gz RPUIIZDZRMAEHL-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000246627923 644598529 /nfs/dbraw/zinc/59/85/29/644598529.db2.gz HQEYMHXEBFOCSE-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H]1CSC ZINC000247008385 644617784 /nfs/dbraw/zinc/61/77/84/644617784.db2.gz PWTSOQIRLHKVOK-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN Cc1noc([C@@H]2CCCN(Cc3ccoc3)C2)n1 ZINC000091833182 644640733 /nfs/dbraw/zinc/64/07/33/644640733.db2.gz XOJRAIBKECYHCC-GFCCVEGCSA-N 0 1 247.298 2.351 20 0 BEADMN Cc1ccnc(NCCOc2cccnc2)c1 ZINC000759687578 644643427 /nfs/dbraw/zinc/64/34/27/644643427.db2.gz BDHVJTZAUYHBAU-UHFFFAOYSA-N 0 1 229.283 2.276 20 0 BEADMN O=C(OCCCF)c1c(F)cc(O)cc1F ZINC000767344053 644674812 /nfs/dbraw/zinc/67/48/12/644674812.db2.gz DFJLNQJDHJPRIG-UHFFFAOYSA-N 0 1 234.173 2.187 20 0 BEADMN CCC/C=C/C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000769324757 644680496 /nfs/dbraw/zinc/68/04/96/644680496.db2.gz FMANKWZAKWJQOY-VQCYPWCPSA-N 0 1 235.331 2.122 20 0 BEADMN Cc1ncccc1-c1nc([C@H](N)C(C)C)no1 ZINC000094649530 644723376 /nfs/dbraw/zinc/72/33/76/644723376.db2.gz OVZIRWPSYVAXFR-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN CCCCCC(C)(C)CNC(=O)c1ncn[nH]1 ZINC000095042549 644741447 /nfs/dbraw/zinc/74/14/47/644741447.db2.gz QEIGJTMAVLYUAL-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN CCCCCC(C)(C)CNC(=O)c1nc[nH]n1 ZINC000095042549 644741453 /nfs/dbraw/zinc/74/14/53/644741453.db2.gz QEIGJTMAVLYUAL-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000251369608 644803150 /nfs/dbraw/zinc/80/31/50/644803150.db2.gz UIFXGPSVGUMQBT-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1C[C@@H]1C(C)C)N(C)C ZINC000798855091 644825937 /nfs/dbraw/zinc/82/59/37/644825937.db2.gz MLOCUDRRCXSCNC-YNEHKIRRSA-N 0 1 241.375 2.408 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000808139022 644873978 /nfs/dbraw/zinc/87/39/78/644873978.db2.gz OQFJLXWRGKGCRQ-AWEZNQCLSA-N 0 1 238.375 2.465 20 0 BEADMN C1=CO[C@H](CN2C[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000816666359 644964549 /nfs/dbraw/zinc/96/45/49/644964549.db2.gz LGVFAUSNKXHVDL-ZNMIVQPWSA-N 0 1 249.354 2.323 20 0 BEADMN CC(C(=O)N[C@H]1CCCc2cn[nH]c21)=C1CCC1 ZINC000827238684 645075006 /nfs/dbraw/zinc/07/50/06/645075006.db2.gz VTGSEDQUIAVTLW-LBPRGKRZSA-N 0 1 245.326 2.404 20 0 BEADMN C[C@@H](C(=O)N1CCCCCCCC1)N(C)C ZINC000836924011 645181280 /nfs/dbraw/zinc/18/12/80/645181280.db2.gz WMYKXRSHAXMWEA-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CCC/C=C\C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837009555 645185709 /nfs/dbraw/zinc/18/57/09/645185709.db2.gz XYNSTQXIVGRJAP-MEJMFZKBSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837009086 645185718 /nfs/dbraw/zinc/18/57/18/645185718.db2.gz VXNYEQSHNSINAI-BWODNOAJSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)C(N)=NOCc1nnc(C2CC2)s1 ZINC000842039673 645237649 /nfs/dbraw/zinc/23/76/49/645237649.db2.gz NHEDKQKGTVAIIS-UHFFFAOYSA-N 0 1 240.332 2.070 20 0 BEADMN CC[C@](C)(CN[C@H](C)c1cc(OC)no1)OC ZINC000926517607 645248613 /nfs/dbraw/zinc/24/86/13/645248613.db2.gz CPNYNJYVJSGOJH-BXKDBHETSA-N 0 1 242.319 2.149 20 0 BEADMN C/C=C(/C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000842843234 645249829 /nfs/dbraw/zinc/24/98/29/645249829.db2.gz DPKDUHSNSBGBTH-ZJRUKIMVSA-N 0 1 213.321 2.082 20 0 BEADMN COCCC(C)(C)c1nc([C@@H](N)C(C)C)no1 ZINC000843153314 645270101 /nfs/dbraw/zinc/27/01/01/645270101.db2.gz TULUUBKTDVTBGK-VIFPVBQESA-N 0 1 241.335 2.040 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000843155194 645270336 /nfs/dbraw/zinc/27/03/36/645270336.db2.gz SOFJPCKFJNYAEC-IVZWLZJFSA-N 0 1 221.304 2.239 20 0 BEADMN COc1cc([C@@H](C)N[C@H]2CC2(C)C)on1 ZINC000926580280 645299124 /nfs/dbraw/zinc/29/91/24/645299124.db2.gz NWVFJRMBFWBUQL-APPZFPTMSA-N 0 1 210.277 2.132 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CS[C@H](C)C2)on1 ZINC000926581539 645299189 /nfs/dbraw/zinc/29/91/89/645299189.db2.gz DUOBWNZZRAWMSL-HRDYMLBCSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@@H](N[C@H]1CC12CC2)c1cn2c(n1)CCCC2 ZINC000926613255 645313195 /nfs/dbraw/zinc/31/31/95/645313195.db2.gz CHFNMIROUFAYDE-PWSUYJOCSA-N 0 1 231.343 2.423 20 0 BEADMN C[C@H]1C[C@@H](N[C@@H]2C[C@H]2C2CCC2)c2ncnn21 ZINC000926615041 645316696 /nfs/dbraw/zinc/31/66/96/645316696.db2.gz MOQDWJCZAPRILP-OHBODLIOSA-N 0 1 232.331 2.062 20 0 BEADMN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ncco1 ZINC000926645140 645332701 /nfs/dbraw/zinc/33/27/01/645332701.db2.gz SAXSNQCRBYZATQ-DCAQKATOSA-N 0 1 226.320 2.122 20 0 BEADMN FC1(F)C[C@@]12CCCN(Cc1c[nH]cn1)C2 ZINC000844442177 645333366 /nfs/dbraw/zinc/33/33/66/645333366.db2.gz WLERDDXMELXCGV-SNVBAGLBSA-N 0 1 227.258 2.031 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H](C)Cc1ccccn1 ZINC000926670141 645347548 /nfs/dbraw/zinc/34/75/48/645347548.db2.gz WERGNTSLKBKAQA-VHSXEESVSA-N 0 1 246.314 2.055 20 0 BEADMN CC[C@H]1COC[C@@H]1NCc1noc2ccccc21 ZINC000926671408 645348247 /nfs/dbraw/zinc/34/82/47/645348247.db2.gz BEKXXFULMQPWQL-GWCFXTLKSA-N 0 1 246.310 2.342 20 0 BEADMN CC[C@@H](C)CCN[C@H](C)c1nonc1C ZINC000926686395 645355796 /nfs/dbraw/zinc/35/57/96/645355796.db2.gz VXIAUCCEQGTHDV-RKDXNWHRSA-N 0 1 211.309 2.465 20 0 BEADMN Cc1nonc1[C@H](C)NCCC(C)(C)F ZINC000926700485 645368062 /nfs/dbraw/zinc/36/80/62/645368062.db2.gz DOGRMZLPUPDZEJ-ZETCQYMHSA-N 0 1 215.272 2.167 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCc2ccoc2)n1 ZINC000926703895 645369404 /nfs/dbraw/zinc/36/94/04/645369404.db2.gz WBAKYODMEWVZHN-SNVBAGLBSA-N 0 1 248.330 2.093 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@]2(C)CC2(C)C)n1 ZINC000926722105 645384796 /nfs/dbraw/zinc/38/47/96/645384796.db2.gz RQXWTCYMWYBPLE-ZANVPECISA-N 0 1 236.363 2.446 20 0 BEADMN CC(C)CC1(N[C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926725228 645386219 /nfs/dbraw/zinc/38/62/19/645386219.db2.gz RFWUOIWHXOTWLM-WDEREUQCSA-N 0 1 234.347 2.452 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCc1ccco1 ZINC000926725599 645387150 /nfs/dbraw/zinc/38/71/50/645387150.db2.gz AKEBRPJQRAUUPW-SECBINFHSA-N 0 1 235.287 2.254 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1CCSC1 ZINC000926779469 645427762 /nfs/dbraw/zinc/42/77/62/645427762.db2.gz ROLWKRBPGSPZPH-WCBMZHEXSA-N 0 1 241.360 2.172 20 0 BEADMN C[C@H]1C[C@H](NCCCCC2CC2)c2ncnn21 ZINC000926795785 645437245 /nfs/dbraw/zinc/43/72/45/645437245.db2.gz MAUJKBDUPAJXLS-JQWIXIFHSA-N 0 1 234.347 2.454 20 0 BEADMN COCC(C)(C)CCN[C@@H](C)c1nonc1C ZINC000926822156 645444351 /nfs/dbraw/zinc/44/43/51/645444351.db2.gz LGARNZXAQAXFMJ-VIFPVBQESA-N 0 1 241.335 2.091 20 0 BEADMN COCC(C)(C)CCN[C@@H](C)c1ncco1 ZINC000926821270 645444896 /nfs/dbraw/zinc/44/48/96/645444896.db2.gz HZCXZEHDZDPVDD-JTQLQIEISA-N 0 1 226.320 2.388 20 0 BEADMN Cc1nonc1CNC1CC2(C1)CCCC2 ZINC000926839935 645448392 /nfs/dbraw/zinc/44/83/92/645448392.db2.gz NZBZVWSQCLOZKL-UHFFFAOYSA-N 0 1 221.304 2.190 20 0 BEADMN C[C@@H]1C[C@H](NCC2(CC3CC3)CC2)c2ncnn21 ZINC000926841077 645452723 /nfs/dbraw/zinc/45/27/23/645452723.db2.gz JKWCBELIFHRSLT-PWSUYJOCSA-N 0 1 246.358 2.454 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nnc(OC)s1 ZINC000930225402 645456303 /nfs/dbraw/zinc/45/63/03/645456303.db2.gz BHTWSXGVUPJPIQ-JGVFFNPUSA-N 0 1 229.349 2.071 20 0 BEADMN C[C@H](NC1CCC2(COC2)CC1)c1ncco1 ZINC000926861659 645461341 /nfs/dbraw/zinc/46/13/41/645461341.db2.gz OUEBHUZSTRCAFK-JTQLQIEISA-N 0 1 236.315 2.284 20 0 BEADMN C[C@H]1[C@H](C)OC[C@H]1NCc1cc(C2CC2)no1 ZINC000926867315 645463414 /nfs/dbraw/zinc/46/34/14/645463414.db2.gz BYWKRICKNMSWRA-MWODSPESSA-N 0 1 236.315 2.065 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000926868645 645465773 /nfs/dbraw/zinc/46/57/73/645465773.db2.gz LEWCRIGMFANRRN-GATYQTQLSA-N 0 1 235.331 2.321 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@@H]1C[C@H]1C1CC1 ZINC000926878892 645470596 /nfs/dbraw/zinc/47/05/96/645470596.db2.gz MCWZQUQZCAVYJG-FXAINCCUSA-N 0 1 235.331 2.465 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000926891607 645477062 /nfs/dbraw/zinc/47/70/62/645477062.db2.gz CPPHMEFZEIVNPW-JLLWLGSASA-N 0 1 249.358 2.043 20 0 BEADMN COc1cc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)on1 ZINC000926889493 645477539 /nfs/dbraw/zinc/47/75/39/645477539.db2.gz XPHQVBPUUJOFAF-MVCUBJFGSA-N 0 1 236.315 2.378 20 0 BEADMN C[C@@H](NC[C@@]1(C)CCCCO1)c1ccn(C)n1 ZINC000927021851 645519724 /nfs/dbraw/zinc/51/97/24/645519724.db2.gz PPTVQYACTLBZLP-DGCLKSJQSA-N 0 1 237.347 2.030 20 0 BEADMN CCc1onc(C)c1CN[C@@H]1COC(C)(C)C1 ZINC000927135364 645563983 /nfs/dbraw/zinc/56/39/83/645563983.db2.gz RQFJJFGCIUUGHB-JTQLQIEISA-N 0 1 238.331 2.203 20 0 BEADMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1cn(C)cn1 ZINC000927158820 645578133 /nfs/dbraw/zinc/57/81/33/645578133.db2.gz KHAMWXXEKJZRBY-AAEUAGOBSA-N 0 1 249.358 2.172 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1[C@@H](C)C[C@@H]1C ZINC000930273497 645718666 /nfs/dbraw/zinc/71/86/66/645718666.db2.gz PRSIBXCRNQJYFG-XWLWVQCSSA-N 0 1 213.321 2.057 20 0 BEADMN C[C@H](O)c1ncc(CNCC(C)(C)F)s1 ZINC000865652483 645720409 /nfs/dbraw/zinc/72/04/09/645720409.db2.gz DCQGXLOEVJIBSB-ZETCQYMHSA-N 0 1 232.324 2.034 20 0 BEADMN CC(C)c1cccc(C(=O)NC[C@H]2CCN2C)c1 ZINC000928550315 645802577 /nfs/dbraw/zinc/80/25/77/645802577.db2.gz DVJCYECMWBXZRK-CQSZACIVSA-N 0 1 246.354 2.244 20 0 BEADMN COCCN(CCF)CCC(C)(C)SC ZINC000877627536 645802922 /nfs/dbraw/zinc/80/29/22/645802922.db2.gz VAAMBNKQMHCYED-UHFFFAOYSA-N 0 1 237.384 2.436 20 0 BEADMN CN1CC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC000928560373 645818674 /nfs/dbraw/zinc/81/86/74/645818674.db2.gz UOKSJUZJKUDLGT-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1ccn(C)n1 ZINC000878705041 645823924 /nfs/dbraw/zinc/82/39/24/645823924.db2.gz NJRUTKFPWWPXNG-VXGBXAGGSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCN1C ZINC000928566857 645826984 /nfs/dbraw/zinc/82/69/84/645826984.db2.gz RWAHVOJATKFPRO-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CN(C)C(=O)CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537965 645836989 /nfs/dbraw/zinc/83/69/89/645836989.db2.gz IMHYNNDBVIOVPR-FZMZJTMJSA-N 0 1 244.338 2.009 20 0 BEADMN Cc1nc2c(n1CC[C@H](O)C(C)C)CCCC2 ZINC000882173335 645840240 /nfs/dbraw/zinc/84/02/40/645840240.db2.gz FUMREYNMZPJLSL-AWEZNQCLSA-N 0 1 236.359 2.477 20 0 BEADMN CCOC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883093320 645848989 /nfs/dbraw/zinc/84/89/89/645848989.db2.gz QYQIUTOOUGSSNE-JTQLQIEISA-N 0 1 225.336 2.048 20 0 BEADMN C/C(=C/C[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000214732272 645863373 /nfs/dbraw/zinc/86/33/73/645863373.db2.gz BSUBVRFHEFEDOU-WDZFZDKYSA-N 0 1 231.295 2.076 20 0 BEADMN C[C@@H](NCC[C@H]1CCCCO1)c1ncco1 ZINC000886538082 645887934 /nfs/dbraw/zinc/88/79/34/645887934.db2.gz BGJOIDAQJDCLHI-GHMZBOCLSA-N 0 1 224.304 2.284 20 0 BEADMN CCn1cc(CN2C[C@H](C)CC(C)(C)C2)nn1 ZINC000887547327 645898417 /nfs/dbraw/zinc/89/84/17/645898417.db2.gz DMGZRKYQOPUDTN-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1cn(CC)nn1 ZINC000887547522 645898588 /nfs/dbraw/zinc/89/85/88/645898588.db2.gz MPLBLTRERYHUDJ-PWSUYJOCSA-N 0 1 222.336 2.061 20 0 BEADMN COC(=O)[C@H]1CCCCN1CC1CC(C)C1 ZINC000929097501 645938273 /nfs/dbraw/zinc/93/82/73/645938273.db2.gz MGNRPJVPGLHSIL-HTAVTVPLSA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N(C)CCCSC ZINC000930317437 645951690 /nfs/dbraw/zinc/95/16/90/645951690.db2.gz AFFFKACVHBWUFC-GHMZBOCLSA-N 0 1 247.404 2.259 20 0 BEADMN CC(C)N1CCC[C@@H]1c1nc(-c2c[nH]cn2)no1 ZINC000924092852 645977339 /nfs/dbraw/zinc/97/73/39/645977339.db2.gz QZROORZWZASPIC-SNVBAGLBSA-N 0 1 247.302 2.005 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2nn(C)cc2C)C1 ZINC000929200386 646001751 /nfs/dbraw/zinc/00/17/51/646001751.db2.gz HFAWAHJJCHPUOD-LBPRGKRZSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2(C)CC=CC2)n[nH]1 ZINC000924202419 646005590 /nfs/dbraw/zinc/00/55/90/646005590.db2.gz RNDMVEXIODEBOU-MRVPVSSYSA-N 0 1 235.287 2.074 20 0 BEADMN COC(=O)c1cncc(CN2CCC[C@@H](C)C2)c1 ZINC000929211805 646005557 /nfs/dbraw/zinc/00/55/57/646005557.db2.gz LURYYLFZBYSKMN-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN CC[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000929258127 646041426 /nfs/dbraw/zinc/04/14/26/646041426.db2.gz UUZKCHILYIZGJF-WISYIIOYSA-N 0 1 245.313 2.389 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1ccc(F)cc1 ZINC000924525262 646046247 /nfs/dbraw/zinc/04/62/47/646046247.db2.gz MFHRDSBYNWLBFL-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN C[C@H](NCCCc1ccccc1)c1cnn(C)n1 ZINC000924536187 646054630 /nfs/dbraw/zinc/05/46/30/646054630.db2.gz REROITIEGWVPNE-LBPRGKRZSA-N 0 1 244.342 2.099 20 0 BEADMN CCCCCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000924538725 646057323 /nfs/dbraw/zinc/05/73/23/646057323.db2.gz MDOHDOZNOKBIMR-MNOVXSKESA-N 0 1 222.336 2.454 20 0 BEADMN CCCCCCN[C@H](C)c1cc(CO)on1 ZINC000924540464 646059739 /nfs/dbraw/zinc/05/97/39/646059739.db2.gz WGCJJFFDFQAMMT-SNVBAGLBSA-N 0 1 226.320 2.398 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1cccs1 ZINC000924548762 646063059 /nfs/dbraw/zinc/06/30/59/646063059.db2.gz MDGIHGJEIHWJKO-DTWKUNHWSA-N 0 1 236.344 2.288 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1cccs1 ZINC000924555232 646065847 /nfs/dbraw/zinc/06/58/47/646065847.db2.gz ZCBXQXVONRSOLW-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@H](NCCCOCC1CC1)c1ncco1 ZINC000924582184 646074886 /nfs/dbraw/zinc/07/48/86/646074886.db2.gz JBGXHTGEGLEUTM-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN COCCN(C)Cc1cnc(-c2ccccc2)o1 ZINC000929318997 646076997 /nfs/dbraw/zinc/07/69/97/646076997.db2.gz IFAQQSJTGDDMKY-UHFFFAOYSA-N 0 1 246.310 2.420 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2nonc2C)o1 ZINC000924656082 646086658 /nfs/dbraw/zinc/08/66/58/646086658.db2.gz YORUUCJCOBLBNK-VIFPVBQESA-N 0 1 235.287 2.173 20 0 BEADMN CC[C@H](CO)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000929344175 646087079 /nfs/dbraw/zinc/08/70/79/646087079.db2.gz IWRQTSKOYIXCHP-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H](NCc1ccccc1CO)c1ccns1 ZINC000924761147 646102012 /nfs/dbraw/zinc/10/20/12/646102012.db2.gz PFZWFWQDGUBFFD-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN CCc1ncc(CN(CC)C[C@@H]2CCCO2)o1 ZINC000929416767 646112962 /nfs/dbraw/zinc/11/29/62/646112962.db2.gz BPDSUYIJSADCAE-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN CNC(=O)[C@H]1CCCCN1CCCC(C)(F)F ZINC000929472664 646131474 /nfs/dbraw/zinc/13/14/74/646131474.db2.gz QCGUYQJQRRMNPZ-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN C[C@@H](NC1CC2(C1)CCCC2)c1nncn1C ZINC000924946006 646137675 /nfs/dbraw/zinc/13/76/75/646137675.db2.gz NUBQGUFCFRMSHD-SNVBAGLBSA-N 0 1 234.347 2.189 20 0 BEADMN Cc1cn(C)nc1CN(C)CC(C)(C)C ZINC000929482865 646138585 /nfs/dbraw/zinc/13/85/85/646138585.db2.gz VAHAISCSCVHHOW-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN CCc1nc([C@H](C)N[C@H]2COC[C@@H]2C)cs1 ZINC000925033613 646161630 /nfs/dbraw/zinc/16/16/30/646161630.db2.gz MSDDJIIWNKIWDR-GUBZILKMSA-N 0 1 240.372 2.391 20 0 BEADMN c1ccc2c(c1)CN(CCOC1CC1)C2 ZINC000929584094 646186062 /nfs/dbraw/zinc/18/60/62/646186062.db2.gz RABVAGWAWUHRBV-UHFFFAOYSA-N 0 1 203.285 2.181 20 0 BEADMN CCOCCN(CC)Cc1cnc(CC)o1 ZINC000929601875 646194176 /nfs/dbraw/zinc/19/41/76/646194176.db2.gz UUAHHMCSHWEEHD-UHFFFAOYSA-N 0 1 226.320 2.095 20 0 BEADMN CSC(C)(C)CN[C@H](C)c1nonc1C ZINC000925190502 646203908 /nfs/dbraw/zinc/20/39/08/646203908.db2.gz JVRMAJHRSQSAEZ-SSDOTTSWSA-N 0 1 229.349 2.170 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H](C)Cc1ccncc1 ZINC000925228318 646213609 /nfs/dbraw/zinc/21/36/09/646213609.db2.gz WHQFEGDTQHVJKE-UWVGGRQHSA-N 0 1 246.314 2.055 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@H]1CC(C)C ZINC000929643608 646216494 /nfs/dbraw/zinc/21/64/94/646216494.db2.gz BEVXGYHHHUSRNG-MECSIWFOSA-N 0 1 241.375 2.326 20 0 BEADMN CCOC[C@H]1CCCN([C@H](C)c2ncccn2)C1 ZINC000929643686 646216899 /nfs/dbraw/zinc/21/68/99/646216899.db2.gz IMLLVXGUCOKZLF-OLZOCXBDSA-N 0 1 249.358 2.286 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@]1(C)CCCS1 ZINC000925267400 646225879 /nfs/dbraw/zinc/22/58/79/646225879.db2.gz HQQFZSSYRHBVFS-LDYMZIIASA-N 0 1 241.360 2.314 20 0 BEADMN CC[C@H]1COCCN1CCCc1cccnc1 ZINC000929658632 646227447 /nfs/dbraw/zinc/22/74/47/646227447.db2.gz BYGQOLBWXSVMEJ-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN Cc1ccc(C)c(NC(=O)NC[C@H]2CCN2C)c1 ZINC000925396268 646258435 /nfs/dbraw/zinc/25/84/35/646258435.db2.gz LDSWODZCTXYEPQ-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN CCC[C@@H](C)NC(=O)c1cccc(F)c1O ZINC000929717628 646269746 /nfs/dbraw/zinc/26/97/46/646269746.db2.gz JMOMISRHBATLJD-MRVPVSSYSA-N 0 1 225.263 2.450 20 0 BEADMN Cc1nc(C)c(CN2C[C@@H](C)S[C@H](C)C2)[nH]1 ZINC000929725909 646274392 /nfs/dbraw/zinc/27/43/92/646274392.db2.gz NEMZAKICJHRPBZ-RKDXNWHRSA-N 0 1 239.388 2.352 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCSC1 ZINC000925479810 646291795 /nfs/dbraw/zinc/29/17/95/646291795.db2.gz KDEAIOWXZPQYDB-UWVGGRQHSA-N 0 1 238.356 2.456 20 0 BEADMN CCn1cc(CN2CC[C@@H](CC(C)C)C2)nn1 ZINC000929762899 646294619 /nfs/dbraw/zinc/29/46/19/646294619.db2.gz RQRKMASVGJTHAP-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cc(CO)on1 ZINC000925487451 646297366 /nfs/dbraw/zinc/29/73/66/646297366.db2.gz YOZFONCTQIJGLY-YGOYTEALSA-N 0 1 224.304 2.006 20 0 BEADMN COC[C@H](CN(C)Cc1nccs1)C(C)C ZINC000929769593 646299646 /nfs/dbraw/zinc/29/96/46/646299646.db2.gz UCSDMXWSIFHNPJ-NSHDSACASA-N 0 1 242.388 2.494 20 0 BEADMN CCn1nc(C)c([C@H](C)NC2CC(C)C2)n1 ZINC000925489533 646299911 /nfs/dbraw/zinc/29/99/11/646299911.db2.gz KOTNWRRQLAWMET-YUCVTWSNSA-N 0 1 222.336 2.056 20 0 BEADMN CC(C)(C)NC(=O)c1cc(F)cc(F)c1O ZINC000929776487 646304896 /nfs/dbraw/zinc/30/48/96/646304896.db2.gz NTKFPXYRYLWFLJ-UHFFFAOYSA-N 0 1 229.226 2.199 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)Cc1nnc2ccccn21 ZINC000929803515 646327191 /nfs/dbraw/zinc/32/71/91/646327191.db2.gz JYFPAXKHCBPVRW-NEPJUHHUSA-N 0 1 244.342 2.207 20 0 BEADMN CC1CC(CN(C)Cc2nnc3ccccn32)C1 ZINC000929803811 646327492 /nfs/dbraw/zinc/32/74/92/646327492.db2.gz NYVXJIGIIADMBS-UHFFFAOYSA-N 0 1 244.342 2.207 20 0 BEADMN COCCC1(CN[C@@H](C)c2ncco2)CC1 ZINC000925565495 646338516 /nfs/dbraw/zinc/33/85/16/646338516.db2.gz SLSVHLQJHMOWBN-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN CS[C@@H](C)CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925599612 646346219 /nfs/dbraw/zinc/34/62/19/646346219.db2.gz ASQXQYKEMYVZNF-UWVGGRQHSA-N 0 1 242.392 2.261 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H](C)CC(C)C ZINC000925601109 646353480 /nfs/dbraw/zinc/35/34/80/646353480.db2.gz KIRNOUPTGNGNIK-IUCAKERBSA-N 0 1 211.309 2.463 20 0 BEADMN CSC[C@H]1CCCN1Cc1nn(C)cc1C ZINC000929853132 646361901 /nfs/dbraw/zinc/36/19/01/646361901.db2.gz GSTCZABEQKMEHY-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000929917025 646373422 /nfs/dbraw/zinc/37/34/22/646373422.db2.gz WILMQWIDWRAZPW-ZSBIGDGJSA-N 0 1 247.342 2.161 20 0 BEADMN CC(C)N(C)C(=O)c1cc(F)cc(F)c1O ZINC000929921809 646375334 /nfs/dbraw/zinc/37/53/34/646375334.db2.gz CKFQWWSRNCLVQN-UHFFFAOYSA-N 0 1 229.226 2.151 20 0 BEADMN CC(C)N(C)C(=O)c1cccc(F)c1O ZINC000929922075 646375586 /nfs/dbraw/zinc/37/55/86/646375586.db2.gz JARKDHXDBLVPIG-UHFFFAOYSA-N 0 1 211.236 2.012 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCCC(C)(F)F ZINC000929972484 646382971 /nfs/dbraw/zinc/38/29/71/646382971.db2.gz FDYHQNLIEWQFKQ-VIFPVBQESA-N 0 1 237.290 2.305 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1ccc[nH]1 ZINC000925646608 646386347 /nfs/dbraw/zinc/38/63/47/646386347.db2.gz VINIEQMUWWLTEF-VHSXEESVSA-N 0 1 216.288 2.217 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)C2(Cl)CC2)n[nH]1 ZINC000925658025 646393488 /nfs/dbraw/zinc/39/34/88/646393488.db2.gz QLTOBLFLRWZCOL-JGVFFNPUSA-N 0 1 242.754 2.178 20 0 BEADMN CCCN(CC)C(=O)c1cccc(F)c1O ZINC000930026166 646398650 /nfs/dbraw/zinc/39/86/50/646398650.db2.gz CLEDJXGFFJHCPW-UHFFFAOYSA-N 0 1 225.263 2.403 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCO[C@H]1C ZINC000925662330 646399081 /nfs/dbraw/zinc/39/90/81/646399081.db2.gz GUDPLCDEAVLLBR-LSJOCFKGSA-N 0 1 236.315 2.127 20 0 BEADMN Cn1cnc(CN[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000925675782 646404183 /nfs/dbraw/zinc/40/41/83/646404183.db2.gz WTCTWXIRSPAKEP-QWRGUYRKSA-N 0 1 236.363 2.120 20 0 BEADMN Cn1cnc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000925675783 646405351 /nfs/dbraw/zinc/40/53/51/646405351.db2.gz WTCTWXIRSPAKEP-WDEREUQCSA-N 0 1 236.363 2.120 20 0 BEADMN Cn1cnc(CN[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000925675780 646405769 /nfs/dbraw/zinc/40/57/69/646405769.db2.gz WTCTWXIRSPAKEP-GHMZBOCLSA-N 0 1 236.363 2.120 20 0 BEADMN C[C@@H](NCCc1ccc(CO)cc1)c1ncco1 ZINC000925701091 646425582 /nfs/dbraw/zinc/42/55/82/646425582.db2.gz VRPGJPIJOLGUJR-LLVKDONJSA-N 0 1 246.310 2.060 20 0 BEADMN CC[C@]1(C)COCCN1C/C=C(/C)COC ZINC000930124384 646447609 /nfs/dbraw/zinc/44/76/09/646447609.db2.gz SQESMPJPMTWVFJ-MVXISAMASA-N 0 1 227.348 2.080 20 0 BEADMN COC/C(C)=C/CN1CC2(C1)CC(F)(F)C2 ZINC000930129577 646451246 /nfs/dbraw/zinc/45/12/46/646451246.db2.gz XRNNRIYHLBBHFU-XCVCLJGOSA-N 0 1 231.286 2.310 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)C1(C)CC1 ZINC000925776711 646475993 /nfs/dbraw/zinc/47/59/93/646475993.db2.gz HYSAHBNBHHIFSW-VXNVDRBHSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H](NC1(c2ccccc2)CC1)c1cnnn1C ZINC000925826171 646497744 /nfs/dbraw/zinc/49/77/44/646497744.db2.gz KYOIYFGDECWBGH-LLVKDONJSA-N 0 1 242.326 2.155 20 0 BEADMN CCC[C@@H](N[C@@H]1CNOC1)c1ccsc1 ZINC000925861530 646514382 /nfs/dbraw/zinc/51/43/82/646514382.db2.gz DTFBNJGQXLVSLH-GHMZBOCLSA-N 0 1 226.345 2.082 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCC(F)(F)C2)c2ncnn21 ZINC000925929841 646544641 /nfs/dbraw/zinc/54/46/41/646544641.db2.gz SDDRKEDKGIRNSY-HLTSFMKQSA-N 0 1 242.273 2.061 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1CCCCS1 ZINC000926130746 646577179 /nfs/dbraw/zinc/57/71/79/646577179.db2.gz RXWUEGPPXVAJQU-SCZZXKLOSA-N 0 1 241.360 2.314 20 0 BEADMN COc1cc([C@@H](C)NCC=C(C)C)on1 ZINC000926264122 646608088 /nfs/dbraw/zinc/60/80/88/646608088.db2.gz CCKBZKDCHLEDTG-SECBINFHSA-N 0 1 210.277 2.300 20 0 BEADMN COCCC(C)(C)CN[C@@H](C)c1nonc1C ZINC000926167783 646587760 /nfs/dbraw/zinc/58/77/60/646587760.db2.gz PEXXNNBRGKTWLR-VIFPVBQESA-N 0 1 241.335 2.091 20 0 BEADMN C[C@H](N[C@@H](CCO)c1ccco1)C1(Cl)CC1 ZINC000926195861 646591978 /nfs/dbraw/zinc/59/19/78/646591978.db2.gz GJKWHWSNDXICOB-UWVGGRQHSA-N 0 1 243.734 2.453 20 0 BEADMN CCOC(C)(C)CN[C@@H](C)c1cc(OC)no1 ZINC000926232740 646601126 /nfs/dbraw/zinc/60/11/26/646601126.db2.gz PVKXACWNEXCDRJ-VIFPVBQESA-N 0 1 242.319 2.149 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@H](C)C1 ZINC000926233930 646603445 /nfs/dbraw/zinc/60/34/45/646603445.db2.gz YZGBVGLAINEHDM-OYNCUSHFSA-N 0 1 209.293 2.217 20 0 BEADMN CCOC[C@@H](N[C@@H](C)c1nonc1C)C(C)C ZINC000926260470 646606885 /nfs/dbraw/zinc/60/68/85/646606885.db2.gz SUSNKVJJSOYBRG-GXSJLCMTSA-N 0 1 241.335 2.090 20 0 BEADMN CC(C)[C@H](N[C@H](C)c1ncco1)C(C)(C)O ZINC000926266241 646608610 /nfs/dbraw/zinc/60/86/10/646608610.db2.gz OMGMGWWIEZPPOB-ZJUUUORDSA-N 0 1 226.320 2.121 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000926285485 646612002 /nfs/dbraw/zinc/61/20/02/646612002.db2.gz RZASNJCXGOIWDE-SCZZXKLOSA-N 0 1 221.304 2.361 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@H]1C[C@@H](C)n2ncnc21 ZINC000926345066 646621840 /nfs/dbraw/zinc/62/18/40/646621840.db2.gz BQGOETPTMDQCQZ-DBIOUOCHSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccsc1)c1cnnn1C ZINC000926369712 646628202 /nfs/dbraw/zinc/62/82/02/646628202.db2.gz NNQXNWWOYDFEMD-DTWKUNHWSA-N 0 1 236.344 2.288 20 0 BEADMN CC(C)SCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000926419496 646632683 /nfs/dbraw/zinc/63/26/83/646632683.db2.gz APQBKNXEGFNORF-VHSXEESVSA-N 0 1 240.376 2.015 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000926420738 646634669 /nfs/dbraw/zinc/63/46/69/646634669.db2.gz JTRLZOYQYNMBLF-MWLCHTKSSA-N 0 1 236.363 2.446 20 0 BEADMN CC[C@@H](CN[C@@H]1CCCc2oc(C)nc21)OC ZINC000926458704 646646561 /nfs/dbraw/zinc/64/65/61/646646561.db2.gz YTXANSPUNLASKI-WDEREUQCSA-N 0 1 238.331 2.375 20 0 BEADMN Cc1nonc1[C@H](C)NC1(C(C)C)CC1 ZINC000926488946 646657725 /nfs/dbraw/zinc/65/77/25/646657725.db2.gz CZBCQCGBWNHGRQ-QMMMGPOBSA-N 0 1 209.293 2.217 20 0 BEADMN CCn1nc(C)c([C@H](C)NC2(CC)CC2)n1 ZINC000926509519 646667548 /nfs/dbraw/zinc/66/75/48/646667548.db2.gz OFRFJKREDJDYHB-VIFPVBQESA-N 0 1 222.336 2.200 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1cc(O)ccc1Cl ZINC000926854097 711689123 /nfs/dbraw/zinc/68/91/23/711689123.db2.gz CYMOKZNWOKOFAZ-UFBFGSQYSA-N 0 1 241.718 2.170 20 0 BEADMN COC[C@H](CN[C@@H](C)c1csnn1)C(C)C ZINC000721779906 711769612 /nfs/dbraw/zinc/76/96/12/711769612.db2.gz ILNDEIOISDLBLN-UWVGGRQHSA-N 0 1 243.376 2.107 20 0 BEADMN Cc1cscc1NC(=O)C1(N(C)C)CCC1 ZINC000151338735 711822149 /nfs/dbraw/zinc/82/21/49/711822149.db2.gz LTAALVGTQVNBLG-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN Clc1csc(N2CC(N3CCCC3)C2)n1 ZINC000700173865 711987446 /nfs/dbraw/zinc/98/74/46/711987446.db2.gz LQNYQOKHPSPBRF-UHFFFAOYSA-N 0 1 243.763 2.081 20 0 BEADMN Cn1c(Cl)cnc1CN[C@@]1(C)CC1(C)C ZINC000702022854 712036600 /nfs/dbraw/zinc/03/66/00/712036600.db2.gz MEGTUJRKRDUTRI-NSHDSACASA-N 0 1 227.739 2.352 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000703869829 712091490 /nfs/dbraw/zinc/09/14/90/712091490.db2.gz VQCKMCXBCZNQMX-JTQLQIEISA-N 0 1 242.706 2.030 20 0 BEADMN C[C@@](O)(CNCc1ccccc1Cl)C(F)F ZINC000705093722 712122660 /nfs/dbraw/zinc/12/26/60/712122660.db2.gz IYCZVCBZBZNTTC-LLVKDONJSA-N 0 1 249.688 2.446 20 0 BEADMN CC1(C)C[C@H](CNCc2cocn2)C(C)(C)O1 ZINC000709662103 712214945 /nfs/dbraw/zinc/21/49/45/712214945.db2.gz HPTLLNSBEKHNFX-SNVBAGLBSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1cn(C)cn1 ZINC000709910558 712231722 /nfs/dbraw/zinc/23/17/22/712231722.db2.gz HWWDDEFTQSGIGB-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cnc(CNCCc2ccns2)s1 ZINC000709916166 712232601 /nfs/dbraw/zinc/23/26/01/712232601.db2.gz PQXSIGULOQMYBN-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CC(C)NCc1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000710826771 712257379 /nfs/dbraw/zinc/25/73/79/712257379.db2.gz JCHFVRQDAOAANY-NSHDSACASA-N 0 1 238.379 2.458 20 0 BEADMN COC1(OC)CC[C@H]1NCc1cccc(F)c1 ZINC000711041866 712275947 /nfs/dbraw/zinc/27/59/47/712275947.db2.gz OONZQGXBPVWFJZ-GFCCVEGCSA-N 0 1 239.290 2.067 20 0 BEADMN C[C@@H](C[C@H]1CCOC1)NCC(C)(F)F ZINC000378873545 712365629 /nfs/dbraw/zinc/36/56/29/712365629.db2.gz UOOFCPMJDJYGET-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnn(C)c2Cl)CS1 ZINC000712477571 712430820 /nfs/dbraw/zinc/43/08/20/712430820.db2.gz FYDIHOCMQWSCTD-VXNVDRBHSA-N 0 1 245.779 2.057 20 0 BEADMN CCN1CC[C@@H]1CNc1nc(Cl)cs1 ZINC000712563828 712446235 /nfs/dbraw/zinc/44/62/35/712446235.db2.gz SUALJURTTBBRBP-SSDOTTSWSA-N 0 1 231.752 2.303 20 0 BEADMN CC[C@@]1(NCc2scnc2Cl)CCOC1 ZINC000713461421 712460695 /nfs/dbraw/zinc/46/06/95/712460695.db2.gz KFCGNSOXYWZRAR-SNVBAGLBSA-N 0 1 246.763 2.455 20 0 BEADMN COC(=O)c1cc(CN(C)CCCF)cs1 ZINC000714927146 712500289 /nfs/dbraw/zinc/50/02/89/712500289.db2.gz XYUZCIMQZJGPCJ-UHFFFAOYSA-N 0 1 245.319 2.326 20 0 BEADMN Cc1nnc(CNCC[C@H]2CCCS2)s1 ZINC000715792641 712532242 /nfs/dbraw/zinc/53/22/42/712532242.db2.gz SEILCKZDDIJGLI-SECBINFHSA-N 0 1 243.401 2.222 20 0 BEADMN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cn(C)nn1 ZINC000715833203 712534155 /nfs/dbraw/zinc/53/41/55/712534155.db2.gz BKHBIAPSIXEYGO-RKDXNWHRSA-N 0 1 244.289 2.044 20 0 BEADMN C[C@@H](NCc1ccncc1)c1ccns1 ZINC000715955688 712545844 /nfs/dbraw/zinc/54/58/44/712545844.db2.gz RYIFRCPYPUWFGF-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN Cc1ccc(C[N@@H+](CCC(=O)[O-])C2CC2)o1 ZINC000037474157 712647017 /nfs/dbraw/zinc/64/70/17/712647017.db2.gz JSCULIPUADFCJK-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN Clc1nccc(CN[C@H]2CCOC2)c1Cl ZINC000380182762 712706129 /nfs/dbraw/zinc/70/61/29/712706129.db2.gz MKXSXEFNPAUWMT-QMMMGPOBSA-N 0 1 247.125 2.267 20 0 BEADMN C[C@H](NCc1nc(C#N)cs1)C1(C)CC1 ZINC000380178043 712706313 /nfs/dbraw/zinc/70/63/13/712706313.db2.gz FQCADBRUMYXXAC-QMMMGPOBSA-N 0 1 221.329 2.293 20 0 BEADMN COC[C@H](CN1CCn2cccc2C1)C(C)C ZINC000932524019 712717605 /nfs/dbraw/zinc/71/76/05/712717605.db2.gz CFWLFBUCFAAWFU-ZDUSSCGKSA-N 0 1 236.359 2.222 20 0 BEADMN Cc1coc(CNCCOC(F)(F)F)c1 ZINC000718147775 712748684 /nfs/dbraw/zinc/74/86/84/712748684.db2.gz ZGSVREHXZLMBFK-UHFFFAOYSA-N 0 1 223.194 2.214 20 0 BEADMN C[C@H]1C[C@@H](NCc2cnc(Cl)s2)CO1 ZINC000718214233 712754354 /nfs/dbraw/zinc/75/43/54/712754354.db2.gz VAUFOWBXGNCXTI-NKWVEPMBSA-N 0 1 232.736 2.064 20 0 BEADMN CC[N@@H+](CCCC(C)(F)F)[C@@H](C)C(=O)[O-] ZINC000718645511 712776867 /nfs/dbraw/zinc/77/68/67/712776867.db2.gz KIBVMYWUVGBYHN-QMMMGPOBSA-N 0 1 223.263 2.217 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C[C@@H]1C(=O)[O-] ZINC000718647987 712776642 /nfs/dbraw/zinc/77/66/42/712776642.db2.gz RVTGRGBPTHPDLY-ZJUUUORDSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1conc1CN[C@@H](CO)C1CCCCC1 ZINC000720378595 712837395 /nfs/dbraw/zinc/83/73/95/712837395.db2.gz IXENCYWRYRKFPK-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1sccc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000381200962 710607667 /nfs/dbraw/zinc/60/76/67/710607667.db2.gz BRURUPSTOWFKDS-LBPRGKRZSA-N 0 1 239.340 2.353 20 0 BEADMN Cc1cc(CNCc2ccc(Cl)cn2)n[nH]1 ZINC000381365349 710628518 /nfs/dbraw/zinc/62/85/18/710628518.db2.gz GRELWTLJYGTYMV-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN Cc1[nH+]c(N2CCC3(CCC3)C2)ccc1C(=O)[O-] ZINC000380440946 712901088 /nfs/dbraw/zinc/90/10/88/712901088.db2.gz FTUPVBUDFVDAED-UHFFFAOYSA-N 0 1 246.310 2.469 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000723124683 710726578 /nfs/dbraw/zinc/72/65/78/710726578.db2.gz BUPLQPYPXNKRQP-WYUUTHIRSA-N 0 1 225.332 2.075 20 0 BEADMN Cc1cc(N(Cc2ccoc2)C2CC2)nc(N)n1 ZINC000723773557 710732002 /nfs/dbraw/zinc/73/20/02/710732002.db2.gz RAKOIUXKBDYOEW-UHFFFAOYSA-N 0 1 244.298 2.129 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cccc(Cl)n1 ZINC000724119592 710737516 /nfs/dbraw/zinc/73/75/16/710737516.db2.gz IEVFWBQMSIGVKK-QWRGUYRKSA-N 0 1 240.734 2.344 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]c(C)nc2C)CCCO1 ZINC000724783107 710745314 /nfs/dbraw/zinc/74/53/14/710745314.db2.gz VIYWIAUDCXZHOC-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@]1(C)CCCS1 ZINC000382051779 710769398 /nfs/dbraw/zinc/76/93/98/710769398.db2.gz MWIYBROOYPGDLA-NSHDSACASA-N 0 1 231.361 2.069 20 0 BEADMN CNc1ccc(C)cc1CNCc1cnn(C)c1 ZINC000902092532 710877856 /nfs/dbraw/zinc/87/78/56/710877856.db2.gz FMUYLHZEDFTSMQ-UHFFFAOYSA-N 0 1 244.342 2.060 20 0 BEADMN O=C([O-])/C=C\c1ccc(C[N@@H+]2CC=CCC2)o1 ZINC000902132056 710878909 /nfs/dbraw/zinc/87/89/09/710878909.db2.gz RICDXRPWQFMUEA-SREVYHEPSA-N 0 1 233.267 2.139 20 0 BEADMN Cc1[nH+]c(N2CC[C@@H](C)[C@@H]2C)ccc1C(=O)[O-] ZINC000380598119 712901830 /nfs/dbraw/zinc/90/18/30/712901830.db2.gz UCHYNKSVWSWBDL-SCZZXKLOSA-N 0 1 234.299 2.323 20 0 BEADMN Cc1cnccc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000384883357 710999512 /nfs/dbraw/zinc/99/95/12/710999512.db2.gz VLUYJIAZYXHEFA-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CC[C@@H]1[C@H](CO)CCN1C/C(Cl)=C/Cl ZINC000385911118 711019238 /nfs/dbraw/zinc/01/92/38/711019238.db2.gz RAGREJYIJZNYLZ-FBACALJWSA-N 0 1 238.158 2.398 20 0 BEADMN CCC[C@H](C[N@H+]1CCCCC[C@@H]1C(=O)[O-])OC ZINC000386113083 711022092 /nfs/dbraw/zinc/02/20/92/711022092.db2.gz LUBDAQLKNVURRV-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H](Cc1ccco1)NCc1nc(C#N)cs1 ZINC000386095013 711022152 /nfs/dbraw/zinc/02/21/52/711022152.db2.gz GPXBMOLTYTXCBH-SECBINFHSA-N 0 1 247.323 2.329 20 0 BEADMN CCC[C@@H](C[N@H+]1CCCCC[C@H]1C(=O)[O-])OC ZINC000386113081 711022556 /nfs/dbraw/zinc/02/25/56/711022556.db2.gz LUBDAQLKNVURRV-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN OCC1(NCc2ccnc(Cl)c2Cl)CC1 ZINC000390002844 711103549 /nfs/dbraw/zinc/10/35/49/711103549.db2.gz UUSGWZGMPVYWJC-UHFFFAOYSA-N 0 1 247.125 2.003 20 0 BEADMN CCc1nnc(CNC(C)(C)C2CC2)s1 ZINC000389898232 711095881 /nfs/dbraw/zinc/09/58/81/711095881.db2.gz BMMRDSVZAZPDNW-UHFFFAOYSA-N 0 1 225.361 2.379 20 0 BEADMN Cc1cc(CNC2CC(C(F)F)C2)no1 ZINC000390008188 711103621 /nfs/dbraw/zinc/10/36/21/711103621.db2.gz XVANCGOKTFLKQO-UHFFFAOYSA-N 0 1 216.231 2.116 20 0 BEADMN Cc1ccoc1CNCCOC1CCC1 ZINC000389943838 711100284 /nfs/dbraw/zinc/10/02/84/711100284.db2.gz PTOIRWAAXNITAM-UHFFFAOYSA-N 0 1 209.289 2.247 20 0 BEADMN CC(C)[C@H](N)c1noc(C2=CCCC2)n1 ZINC000390359676 711113853 /nfs/dbraw/zinc/11/38/53/711113853.db2.gz RKOHPSQHDOUSMD-VIFPVBQESA-N 0 1 207.277 2.293 20 0 BEADMN CCc1cc(CNc2ncc(Cl)cn2)n[nH]1 ZINC000390476075 711119900 /nfs/dbraw/zinc/11/99/00/711119900.db2.gz KTKDTLDSAUUNMG-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN C[C@@H](N[C@H](C)c1ccnn1C)c1ccc[nH]1 ZINC000390487568 711120631 /nfs/dbraw/zinc/12/06/31/711120631.db2.gz PFJSXXZATSGQBM-NXEZZACHSA-N 0 1 218.304 2.160 20 0 BEADMN C[C@H](N[C@@H]1CC2CCC1CC2)c1ncn(C)n1 ZINC000391870101 711141236 /nfs/dbraw/zinc/14/12/36/711141236.db2.gz FLJHIWPYVZRYGW-WNYYMSAVSA-N 0 1 234.347 2.044 20 0 BEADMN CCc1nnc(CNCC2CC(F)(F)C2)s1 ZINC000391936897 711141877 /nfs/dbraw/zinc/14/18/77/711141877.db2.gz XYPMBSCZNUYZIL-UHFFFAOYSA-N 0 1 247.314 2.235 20 0 BEADMN C[C@H](NCc1ccc(=O)[nH]c1)c1cncs1 ZINC000392939123 711155402 /nfs/dbraw/zinc/15/54/02/711155402.db2.gz HNVFZDCKKPQCGY-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000393491376 711160065 /nfs/dbraw/zinc/16/00/65/711160065.db2.gz SVGVEPWUPKVKEV-CABZTGNLSA-N 0 1 235.283 2.352 20 0 BEADMN CC[C@@H](C)CCNCc1nnc(C)s1 ZINC000394449784 711192761 /nfs/dbraw/zinc/19/27/61/711192761.db2.gz FGJDENVBTCCJQS-MRVPVSSYSA-N 0 1 213.350 2.372 20 0 BEADMN CC[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CCS1 ZINC000395580680 711212716 /nfs/dbraw/zinc/21/27/16/711212716.db2.gz VZUCUPVWBODCMR-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CC(C)(CC[N@H+]1CCSC(C)(C)C1)C(=O)[O-] ZINC000395646336 711214152 /nfs/dbraw/zinc/21/41/52/711214152.db2.gz ZSOGAVZREPUXSI-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398352368 711407964 /nfs/dbraw/zinc/40/79/64/711407964.db2.gz GDJDYFURTRJVMM-YUMQZZPRSA-N 0 1 248.252 2.015 20 0 BEADMN c1nn[n-]c1C[NH2+]C1CCCCCCC1 ZINC000398343366 711408424 /nfs/dbraw/zinc/40/84/24/711408424.db2.gz WDIQSELGMCVKRY-UHFFFAOYSA-N 0 1 208.309 2.007 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2cnsn2)[C@H]1C ZINC000399772964 711433744 /nfs/dbraw/zinc/43/37/44/711433744.db2.gz GJKWPPJXWWXICA-YWVKMMECSA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000399518604 711431010 /nfs/dbraw/zinc/43/10/10/711431010.db2.gz JDXWEMDIQBCQTE-JQWIXIFHSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000399995776 711437761 /nfs/dbraw/zinc/43/77/61/711437761.db2.gz KORJVXXYGGFAQI-YWPUVAFDSA-N 0 1 239.359 2.465 20 0 BEADMN CCc1cc(CNC[C@@H]2CCC=CO2)on1 ZINC000381295552 710617452 /nfs/dbraw/zinc/61/74/52/710617452.db2.gz GFAWQEBWXBTZJH-NSHDSACASA-N 0 1 222.288 2.019 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C)[C@H]1CC ZINC000383828757 710948362 /nfs/dbraw/zinc/94/83/62/710948362.db2.gz IVUKHRALTRWHHQ-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccccc2F)n[nH]1 ZINC000392471100 711148034 /nfs/dbraw/zinc/14/80/34/711148034.db2.gz UDOLSNUBLXYYNI-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN Cc1nc([C@H](C)NCc2ccsc2)n[nH]1 ZINC000392476272 711149005 /nfs/dbraw/zinc/14/90/05/711149005.db2.gz SOUOHXBBENVTAA-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN C[C@@H]1C[C@H](NCc2ncc(Cl)n2C)CS1 ZINC000393297113 711156122 /nfs/dbraw/zinc/15/61/22/711156122.db2.gz FJPHDGZFOULIOC-SFYZADRCSA-N 0 1 245.779 2.057 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@H](C)O2)sc1C ZINC000398129602 711401843 /nfs/dbraw/zinc/40/18/43/711401843.db2.gz DQVLZVZCVPJFKB-KWQFWETISA-N 0 1 240.372 2.417 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1cnsn1 ZINC000399746004 711435150 /nfs/dbraw/zinc/43/51/50/711435150.db2.gz DMMOABGOLRKENH-PSASIEDQSA-N 0 1 211.334 2.206 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722628994 711456132 /nfs/dbraw/zinc/45/61/32/711456132.db2.gz KJWQMIYTCUCXLM-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722664396 711463520 /nfs/dbraw/zinc/46/35/20/711463520.db2.gz KECLEDUBURYVPE-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722665680 711463531 /nfs/dbraw/zinc/46/35/31/711463531.db2.gz QXOQLOBVOCUXAO-GRYCIOLGSA-N 0 1 248.326 2.185 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000385889353 711466374 /nfs/dbraw/zinc/46/63/74/711466374.db2.gz YWAMIYDNQPWLBR-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1[nH+]c(N2CCC[C@@H]2C)ccc1C(=O)[O-] ZINC000133893157 711475067 /nfs/dbraw/zinc/47/50/67/711475067.db2.gz PPAAVYKWXPVZSS-QMMMGPOBSA-N 0 1 220.272 2.077 20 0 BEADMN C[C@]1(CO)CCCN1CC=C(Cl)Cl ZINC000723039123 711497021 /nfs/dbraw/zinc/49/70/21/711497021.db2.gz HZRVTRAGLNJOIL-SECBINFHSA-N 0 1 224.131 2.152 20 0 BEADMN C[C@@H](N[C@H]1CCCC2(CC2)C1)c1ncn(C)n1 ZINC000723598529 711522972 /nfs/dbraw/zinc/52/29/72/711522972.db2.gz BAYONNUZADNHDD-MNOVXSKESA-N 0 1 234.347 2.189 20 0 BEADMN COc1nccc(CN2CCC[C@@H](C)C2)c1F ZINC000891445629 711524832 /nfs/dbraw/zinc/52/48/32/711524832.db2.gz DJOUSMRVKDIWLK-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@H]1CCN1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113709 711561498 /nfs/dbraw/zinc/56/14/98/711561498.db2.gz GQSSQSWJUNWZQX-NKWVEPMBSA-N 0 1 247.207 2.029 20 0 BEADMN Cc1cc(CNCCC2CC=CC2)no1 ZINC000724203680 711569948 /nfs/dbraw/zinc/56/99/48/711569948.db2.gz WVIJYUUNWPKTNE-UHFFFAOYSA-N 0 1 206.289 2.429 20 0 BEADMN CCCCC1(N[C@H](C)c2nnc(C)[nH]2)CC1 ZINC000934201006 711574687 /nfs/dbraw/zinc/57/46/87/711574687.db2.gz RHQWSSMLRKFSKM-SECBINFHSA-N 0 1 222.336 2.487 20 0 BEADMN CC(C)(C)c1coc(CNC[C@H]2CCOC2)n1 ZINC000724388694 711577841 /nfs/dbraw/zinc/57/78/41/711577841.db2.gz RLKUEYKRDUKZRR-SNVBAGLBSA-N 0 1 238.331 2.098 20 0 BEADMN CC[C@H](CCO)NCc1nc(C(C)(C)C)co1 ZINC000724406881 711578344 /nfs/dbraw/zinc/57/83/44/711578344.db2.gz AHNUTBJJTXIZLV-SNVBAGLBSA-N 0 1 240.347 2.223 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542950 711620213 /nfs/dbraw/zinc/62/02/13/711620213.db2.gz VFZAVACCMYGSNB-SNVBAGLBSA-N 0 1 236.315 2.258 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721547367 711622465 /nfs/dbraw/zinc/62/24/65/711622465.db2.gz KVBCPISTMBKTJD-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721547824 711622587 /nfs/dbraw/zinc/62/25/87/711622587.db2.gz MHBPRXDXAWTARD-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN C(NCC1CC1)c1nc(CC2CCCC2)no1 ZINC000383375552 711645987 /nfs/dbraw/zinc/64/59/87/711645987.db2.gz ZVTBVTLJKWRTRR-UHFFFAOYSA-N 0 1 235.331 2.302 20 0 BEADMN Cc1ncc(CNCc2ccc(F)nc2)s1 ZINC000309621474 711655082 /nfs/dbraw/zinc/65/50/82/711655082.db2.gz DMQVHSSICPARQM-UHFFFAOYSA-N 0 1 237.303 2.275 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1coc2ccccc12 ZINC000158300310 711674596 /nfs/dbraw/zinc/67/45/96/711674596.db2.gz ASTBKJZCULHLLZ-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN CCc1cnccc1-c1noc(CNC(C)C)n1 ZINC000167500724 711683946 /nfs/dbraw/zinc/68/39/46/711683946.db2.gz BWQAGFOOWVSWQV-UHFFFAOYSA-N 0 1 246.314 2.192 20 0 BEADMN C[C@H]1COC[C@H]1NCc1cc(O)ccc1Cl ZINC000926854096 711688829 /nfs/dbraw/zinc/68/88/29/711688829.db2.gz CYMOKZNWOKOFAZ-QPUJVOFHSA-N 0 1 241.718 2.170 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCCC1CC1 ZINC000394670281 711689698 /nfs/dbraw/zinc/68/96/98/711689698.db2.gz RZMSVNHXYFCREG-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)COC(=O)CN(C)C1CCCCC1 ZINC000181427063 711697656 /nfs/dbraw/zinc/69/76/56/711697656.db2.gz JYXXQSLNLFSBEF-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CCN[C@@H](C)C1 ZINC000236710161 711713806 /nfs/dbraw/zinc/71/38/06/711713806.db2.gz OSDAHASKTXYJTP-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@H](C(=O)N1CCNCC1)C(C)C ZINC000236795465 711742469 /nfs/dbraw/zinc/74/24/69/711742469.db2.gz WDZWBNWTKIYWDF-ZDUSSCGKSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccon2)CCS1 ZINC000725652297 711758993 /nfs/dbraw/zinc/75/89/93/711758993.db2.gz FKGMEONUDYYQGO-IUCAKERBSA-N 0 1 212.318 2.048 20 0 BEADMN c1nc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c[nH]1 ZINC000894795670 711772190 /nfs/dbraw/zinc/77/21/90/711772190.db2.gz SADFTOVEFBNNJR-LBPRGKRZSA-N 0 1 217.316 2.174 20 0 BEADMN c1nc(CN2CC3(CCC3)[C@@H]2C2CC2)c[nH]1 ZINC000894795670 711772191 /nfs/dbraw/zinc/77/21/91/711772191.db2.gz SADFTOVEFBNNJR-LBPRGKRZSA-N 0 1 217.316 2.174 20 0 BEADMN COCCCCN1CCC=C(Br)C1 ZINC000379391896 711801140 /nfs/dbraw/zinc/80/11/40/711801140.db2.gz QQTCQIXVNJTVIT-UHFFFAOYSA-N 0 1 248.164 2.398 20 0 BEADMN CC(C)COC(=O)Cc1[nH]nc2ccccc21 ZINC000058317962 711829120 /nfs/dbraw/zinc/82/91/20/711829120.db2.gz MLRQOPAWRNTFEE-UHFFFAOYSA-N 0 1 232.283 2.305 20 0 BEADMN C[C@@H]1C[C@@H](Nc2nccs2)C[N@H+]1C1CC1 ZINC000229935280 711839819 /nfs/dbraw/zinc/83/98/19/711839819.db2.gz WGNFDWKTMQSXMS-RKDXNWHRSA-N 0 1 223.345 2.180 20 0 BEADMN CCC[N@@H+](Cn1cc(Cl)cn1)C1CC1 ZINC000171602707 711839955 /nfs/dbraw/zinc/83/99/55/711839955.db2.gz QGQKRDOLGGSUQN-UHFFFAOYSA-N 0 1 213.712 2.368 20 0 BEADMN CCCN(Cn1cc(Cl)cn1)C1CC1 ZINC000171602707 711839956 /nfs/dbraw/zinc/83/99/56/711839956.db2.gz QGQKRDOLGGSUQN-UHFFFAOYSA-N 0 1 213.712 2.368 20 0 BEADMN CC(C)[N@H+](Cc1cccc(C(=O)[O-])n1)CC1CC1 ZINC000232640338 711841079 /nfs/dbraw/zinc/84/10/79/711841079.db2.gz JBEKZAIJGJLTAE-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccccc1C)C(=O)[O-] ZINC000088630450 711844378 /nfs/dbraw/zinc/84/43/78/711844378.db2.gz MQOWWUXWCQGIDT-WQLSENKSSA-N 0 1 233.311 2.458 20 0 BEADMN CCCCCC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721270607 711876712 /nfs/dbraw/zinc/87/67/12/711876712.db2.gz CHKCHHKLJJBXQP-TUAOUCFPSA-N 0 1 225.332 2.219 20 0 BEADMN c1ncc(CNc2ccc3c(c2)CCCO3)[nH]1 ZINC000383661171 711944716 /nfs/dbraw/zinc/94/47/16/711944716.db2.gz SLNYPTPTYTWTQT-UHFFFAOYSA-N 0 1 229.283 2.347 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@H]2CC23CCC3)n1 ZINC000721283170 711959331 /nfs/dbraw/zinc/95/93/31/711959331.db2.gz FCOKHMLTICYUHF-LURJTMIESA-N 0 1 249.705 2.361 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2CO[C@@H](C)C2)c1 ZINC000922216534 711960247 /nfs/dbraw/zinc/96/02/47/711960247.db2.gz XZFPQTBPDBQNCQ-GXSJLCMTSA-N 0 1 240.734 2.310 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2CO[C@H](C)C2)c1 ZINC000922216537 711960408 /nfs/dbraw/zinc/96/04/08/711960408.db2.gz XZFPQTBPDBQNCQ-MWLCHTKSSA-N 0 1 240.734 2.310 20 0 BEADMN COc1cncc(CNCc2cccs2)c1 ZINC000700038358 711983743 /nfs/dbraw/zinc/98/37/43/711983743.db2.gz CKVJOBCCVOEZGV-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000701450665 712023430 /nfs/dbraw/zinc/02/34/30/712023430.db2.gz BZYIKLAFJMKMQU-JSGCOSHPSA-N 0 1 237.343 2.363 20 0 BEADMN CC1(C[N@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)CCC1 ZINC000701452771 712023666 /nfs/dbraw/zinc/02/36/66/712023666.db2.gz LILHZVOPWWCFKZ-RISCZKNCSA-N 0 1 237.343 2.363 20 0 BEADMN C[C@@](O)(CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000701771448 712028817 /nfs/dbraw/zinc/02/88/17/712028817.db2.gz RJLWCTKXYFQPJD-ZIAGYGMSSA-N 0 1 237.318 2.328 20 0 BEADMN COC(=O)c1cc(CN(C)C(C)C)cs1 ZINC000701848683 712031359 /nfs/dbraw/zinc/03/13/59/712031359.db2.gz JAKVHNQQPDFOOS-UHFFFAOYSA-N 0 1 227.329 2.375 20 0 BEADMN CCn1nc(CNC2CSC2)c2ccccc21 ZINC000702025224 712036615 /nfs/dbraw/zinc/03/66/15/712036615.db2.gz JAHOMUHUPITELA-UHFFFAOYSA-N 0 1 247.367 2.261 20 0 BEADMN COc1ccncc1CN[C@H](C)C1(Cl)CC1 ZINC000702337751 712048036 /nfs/dbraw/zinc/04/80/36/712048036.db2.gz RFJWHATXYQOESO-SECBINFHSA-N 0 1 240.734 2.340 20 0 BEADMN C/C(=C/C[N@H+]1CCCC2(CC2)CC1)C(=O)[O-] ZINC000702536015 712055122 /nfs/dbraw/zinc/05/51/22/712055122.db2.gz UCPRZRGUQZFYOL-JYOAFUTRSA-N 0 1 223.316 2.283 20 0 BEADMN COC[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000702736480 712060520 /nfs/dbraw/zinc/06/05/20/712060520.db2.gz QEKRJKNMDZFBPJ-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN COC(=O)/C(C)=C\CN(C)[C@@H](C)c1ccncc1 ZINC000383610731 712062280 /nfs/dbraw/zinc/06/22/80/712062280.db2.gz FGXHYESFNYKJCB-RDQDRAATSA-N 0 1 248.326 2.194 20 0 BEADMN CC[C@@H](N[C@H]1CNOC1)c1ccc(Cl)cc1 ZINC000703333948 712070448 /nfs/dbraw/zinc/07/04/48/712070448.db2.gz KCZAVRXPJHYRGK-NWDGAFQWSA-N 0 1 240.734 2.284 20 0 BEADMN CC[C@@H](N[C@@H]1CNOC1)c1cccc(Cl)c1 ZINC000703331655 712070599 /nfs/dbraw/zinc/07/05/99/712070599.db2.gz AIQJVWWGBCQWET-VXGBXAGGSA-N 0 1 240.734 2.284 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1ccc2c(c1)CCCC2 ZINC000703372219 712073838 /nfs/dbraw/zinc/07/38/38/712073838.db2.gz HLGGDNNQFKCADG-NHYWBVRUSA-N 0 1 246.354 2.119 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1F ZINC000086807491 712080734 /nfs/dbraw/zinc/08/07/34/712080734.db2.gz NKELRCAHFSGAOE-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN Cc1cnccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000705301575 712127529 /nfs/dbraw/zinc/12/75/29/712127529.db2.gz BHLBBPUMZXQIRH-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN c1cnc2c(c1)CCC[C@@H]2NC1CSC1 ZINC000706495846 712147351 /nfs/dbraw/zinc/14/73/51/712147351.db2.gz QZAQQRGYZXHFHZ-NSHDSACASA-N 0 1 220.341 2.164 20 0 BEADMN CC[N@@H+](Cc1ccc(Cl)cn1)[C@@H](C)C(=O)[O-] ZINC000707924233 712173213 /nfs/dbraw/zinc/17/32/13/712173213.db2.gz CQDPNBSIBYKNCG-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN C[C@H](O)[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000708398742 712192628 /nfs/dbraw/zinc/19/26/28/712192628.db2.gz ZWKHZWBZGKOKCH-DTWKUNHWSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1cn(C)cn1 ZINC000709910554 712231903 /nfs/dbraw/zinc/23/19/03/712231903.db2.gz HWWDDEFTQSGIGB-IJLUTSLNSA-N 0 1 237.347 2.028 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CC1CCC2(CC2)CC1 ZINC000709952991 712234552 /nfs/dbraw/zinc/23/45/52/712234552.db2.gz RJEVTJBPYQKTFX-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710163908 712246817 /nfs/dbraw/zinc/24/68/17/712246817.db2.gz DNQJQYHEOXWTSW-PSASIEDQSA-N 0 1 235.274 2.074 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1ccc(Cl)o1 ZINC000710909379 712262837 /nfs/dbraw/zinc/26/28/37/712262837.db2.gz YKUDUCJMFBSLHZ-APPZFPTMSA-N 0 1 215.680 2.058 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ncn(C)n1 ZINC000711037480 712275591 /nfs/dbraw/zinc/27/55/91/712275591.db2.gz ZCWVHQACISNVGP-WISYIIOYSA-N 0 1 234.347 2.044 20 0 BEADMN c1cnc(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)nc1 ZINC000711066638 712278145 /nfs/dbraw/zinc/27/81/45/712278145.db2.gz FHZBVJILWPGHKJ-ZSBIGDGJSA-N 0 1 217.316 2.145 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000711422966 712299478 /nfs/dbraw/zinc/29/94/78/712299478.db2.gz QWYWHXFTELWRJW-RKDXNWHRSA-N 0 1 237.324 2.288 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000711450408 712301445 /nfs/dbraw/zinc/30/14/45/712301445.db2.gz BSSKHAHRGUNJJI-VIFPVBQESA-N 0 1 241.262 2.159 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@@H](CF)C1 ZINC000711449612 712302525 /nfs/dbraw/zinc/30/25/25/712302525.db2.gz GXZSGAATEPCUQK-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@H](CF)C1 ZINC000711449611 712302608 /nfs/dbraw/zinc/30/26/08/712302608.db2.gz GXZSGAATEPCUQK-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@@H](CF)C1 ZINC000711478761 712305553 /nfs/dbraw/zinc/30/55/53/712305553.db2.gz CDYBIUJPNNVPRX-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CF)C1 ZINC000711488496 712306191 /nfs/dbraw/zinc/30/61/91/712306191.db2.gz CJDKJNZBZSRVKM-CMPLNLGQSA-N 0 1 237.274 2.104 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711488805 712306495 /nfs/dbraw/zinc/30/64/95/712306495.db2.gz GIRKYLNWRHRDLE-JTQLQIEISA-N 0 1 237.274 2.176 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711488806 712306637 /nfs/dbraw/zinc/30/66/37/712306637.db2.gz GIRKYLNWRHRDLE-SNVBAGLBSA-N 0 1 237.274 2.176 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@@H]1CCC3(CCC3)O1)CC2 ZINC000711514628 712308062 /nfs/dbraw/zinc/30/80/62/712308062.db2.gz DCRMPKRMIMQQGS-NWDGAFQWSA-N 0 1 247.342 2.019 20 0 BEADMN c1cn(C2CC2)c(CN[C@@H]2C=CCC2)n1 ZINC000711736517 712320698 /nfs/dbraw/zinc/32/06/98/712320698.db2.gz DYLSBXDTMKJSRC-SNVBAGLBSA-N 0 1 203.289 2.026 20 0 BEADMN CC1(C)CC[C@H](CNCc2nccn2C2CC2)O1 ZINC000711740090 712321553 /nfs/dbraw/zinc/32/15/53/712321553.db2.gz SQLKRISOZAMMTJ-GFCCVEGCSA-N 0 1 249.358 2.265 20 0 BEADMN c1cn(C2CC2)c(CNC[C@H]2CCCS2)n1 ZINC000711745478 712323078 /nfs/dbraw/zinc/32/30/78/712323078.db2.gz ICOWKRDGROYJIH-LLVKDONJSA-N 0 1 237.372 2.203 20 0 BEADMN CC(F)(F)CCNCc1nccn1C1CC1 ZINC000711753855 712324870 /nfs/dbraw/zinc/32/48/70/712324870.db2.gz ZXTAXRFDCFVWMR-UHFFFAOYSA-N 0 1 229.274 2.353 20 0 BEADMN C[C@H]1CCC[C@@H](CNCc2nccn2C2CC2)O1 ZINC000711758114 712325934 /nfs/dbraw/zinc/32/59/34/712325934.db2.gz VHNFDQSRQFCALT-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN c1cn(C2CC2)c(CN[C@H]2COC3(CCC3)C2)n1 ZINC000711762876 712326444 /nfs/dbraw/zinc/32/64/44/712326444.db2.gz GYSCHAFJNMGTLL-LLVKDONJSA-N 0 1 247.342 2.019 20 0 BEADMN c1cn(C2CC2)c(CN[C@@H]2COC3(CCC3)C2)n1 ZINC000711762878 712326689 /nfs/dbraw/zinc/32/66/89/712326689.db2.gz GYSCHAFJNMGTLL-NSHDSACASA-N 0 1 247.342 2.019 20 0 BEADMN CO[C@H]([C@@H](C)NCc1nccn1C1CC1)C1CC1 ZINC000711765610 712327297 /nfs/dbraw/zinc/32/72/97/712327297.db2.gz RMNPUYUHMSKFCV-QMTHXVAHSA-N 0 1 249.358 2.121 20 0 BEADMN c1cn(C2CC2)c(CNCC2=CCCC2)n1 ZINC000711770223 712327333 /nfs/dbraw/zinc/32/73/33/712327333.db2.gz DSSJWEWUHHLWDK-UHFFFAOYSA-N 0 1 217.316 2.418 20 0 BEADMN C[C@H]1C[C@H](NCc2nccn2C2CC2)CS1 ZINC000711816060 712329448 /nfs/dbraw/zinc/32/94/48/712329448.db2.gz GOWMNSPWDREYND-UWVGGRQHSA-N 0 1 237.372 2.202 20 0 BEADMN CC[C@](C)(CNCc1nccn1C1CC1)OC ZINC000711784151 712330510 /nfs/dbraw/zinc/33/05/10/712330510.db2.gz CJIGVHSADYTHPU-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN CC(F)(F)CN[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711922539 712339320 /nfs/dbraw/zinc/33/93/20/712339320.db2.gz BBKKVRRQJPZCNY-MNOVXSKESA-N 0 1 233.302 2.436 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000378743261 712359792 /nfs/dbraw/zinc/35/97/92/712359792.db2.gz QEYZOKYVRBPOTM-QWRGUYRKSA-N 0 1 223.316 2.116 20 0 BEADMN c1cc(CNc2cc3c(cn2)CCC3)co1 ZINC000378870724 712365519 /nfs/dbraw/zinc/36/55/19/712365519.db2.gz MYJKWALFEQNVIP-UHFFFAOYSA-N 0 1 214.268 2.197 20 0 BEADMN CC(C)(C)[C@H](CO)NC/C(Cl)=C/Cl ZINC000379395311 712381567 /nfs/dbraw/zinc/38/15/67/712381567.db2.gz ZCTLEDRJXCHENI-NZGHECTNSA-N 0 1 226.147 2.302 20 0 BEADMN Cl/C=C\CNCc1cccc2c1OCO2 ZINC000379602037 712389935 /nfs/dbraw/zinc/38/99/35/712389935.db2.gz AKRDIUYUHWMFKQ-DJWKRKHSSA-N 0 1 225.675 2.257 20 0 BEADMN CCC=C(C)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000390293501 712393182 /nfs/dbraw/zinc/39/31/82/712393182.db2.gz BHSOAMWBZNCVQW-OLKPEBQYSA-N 0 1 221.304 2.333 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@@](C)(CC)C2)C1 ZINC000758397988 712408570 /nfs/dbraw/zinc/40/85/70/712408570.db2.gz RXZAEBCLGKJGBK-TZMCWYRMSA-N 0 1 238.375 2.324 20 0 BEADMN CC[N@H+]1CC[C@@H]1CNc1nc2ccccc2[nH]1 ZINC000712581133 712433618 /nfs/dbraw/zinc/43/36/18/712433618.db2.gz UBNWIVBNGXFFFZ-SNVBAGLBSA-N 0 1 230.315 2.069 20 0 BEADMN CCN1CC[C@@H]1CNc1ncnc2ccsc21 ZINC000712594417 712435996 /nfs/dbraw/zinc/43/59/96/712435996.db2.gz IKXHCUJCTOIIDA-SECBINFHSA-N 0 1 248.355 2.197 20 0 BEADMN CCN1CC[C@H]1CNc1nccc(C(C)(C)C)n1 ZINC000712609499 712437356 /nfs/dbraw/zinc/43/73/56/712437356.db2.gz VKWYHERKEDXFCZ-NSHDSACASA-N 0 1 248.374 2.280 20 0 BEADMN CCN1CC[C@@H]1CNc1nc(C)cc(C(C)C)n1 ZINC000712610325 712437557 /nfs/dbraw/zinc/43/75/57/712437557.db2.gz YRHOZQPNZJYDKY-GFCCVEGCSA-N 0 1 248.374 2.415 20 0 BEADMN c1snnc1CNCC[C@@H]1C[C@H]1C1CC1 ZINC000712680381 712440709 /nfs/dbraw/zinc/44/07/09/712440709.db2.gz KERIJPCTMPTCGP-KOLCDFICSA-N 0 1 223.345 2.064 20 0 BEADMN CCc1csc(NC[C@@H]2CCN2CC)n1 ZINC000712561642 712445946 /nfs/dbraw/zinc/44/59/46/712445946.db2.gz CCNWSGSPSYDJPF-JTQLQIEISA-N 0 1 225.361 2.212 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000713704686 712469480 /nfs/dbraw/zinc/46/94/80/712469480.db2.gz VZUVVTQCWQEAQE-QMAVJUDZSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CCN[C@H](C)c1csnn1 ZINC000713688256 712469601 /nfs/dbraw/zinc/46/96/01/712469601.db2.gz VPBKBXJKMNQKTG-XRVBUDJMSA-N 0 1 209.318 2.321 20 0 BEADMN C=C/C=C\CC[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000713711558 712469910 /nfs/dbraw/zinc/46/99/10/712469910.db2.gz WHJAGPBVVICRDV-LWTINBJPSA-N 0 1 209.289 2.056 20 0 BEADMN C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000713725275 712470052 /nfs/dbraw/zinc/47/00/52/712470052.db2.gz GXUKOKASWYSFBZ-XMXMHJJKSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000713711108 712470066 /nfs/dbraw/zinc/47/00/66/712470066.db2.gz LKOZFRZDJVCQKR-MVZIDQBPSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C\CCN(CCC)CC(=O)OC ZINC000713748395 712471284 /nfs/dbraw/zinc/47/12/84/712471284.db2.gz QZHGYGQFWFFMJE-SREVYHEPSA-N 0 1 211.305 2.004 20 0 BEADMN COC[C@H]1C[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000714442450 712489456 /nfs/dbraw/zinc/48/94/56/712489456.db2.gz GBMJECLKBMVZEH-LPEHRKFASA-N 0 1 226.345 2.219 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(C(=O)[O-])s1 ZINC000714952385 712503508 /nfs/dbraw/zinc/50/35/08/712503508.db2.gz FDAASADFMMOOKG-UHFFFAOYSA-N 0 1 231.292 2.238 20 0 BEADMN C[N@@H+](CCCF)Cc1cccc(C(=O)[O-])c1 ZINC000714953829 712503675 /nfs/dbraw/zinc/50/36/75/712503675.db2.gz LHTAEPUKXPKUBA-UHFFFAOYSA-N 0 1 225.263 2.176 20 0 BEADMN CCC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(=O)[O-] ZINC000715440489 712518950 /nfs/dbraw/zinc/51/89/50/712518950.db2.gz MWDMMZRULGGPID-NEPJUHHUSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715446424 712519331 /nfs/dbraw/zinc/51/93/31/712519331.db2.gz LWKYBKHMBYWOCK-FRRDWIJNSA-N 0 1 237.343 2.362 20 0 BEADMN CCCCCCC(=O)NCc1cc(C)[nH]n1 ZINC000716133857 712550447 /nfs/dbraw/zinc/55/04/47/712550447.db2.gz JHSWJNSPQUXLQB-UHFFFAOYSA-N 0 1 223.320 2.305 20 0 BEADMN COc1ccccc1CNCc1[nH]nc(C)c1C ZINC000716441527 712561183 /nfs/dbraw/zinc/56/11/83/712561183.db2.gz TVCKRIBXSLAYOP-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN COc1ccccc1CNCc1n[nH]c(C)c1C ZINC000716441527 712561185 /nfs/dbraw/zinc/56/11/85/712561185.db2.gz TVCKRIBXSLAYOP-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CCn1cc([C@@H](C)NCc2[nH]nc(C)c2C)cn1 ZINC000716449511 712561611 /nfs/dbraw/zinc/56/16/11/712561611.db2.gz BMDQAXOMCRKNFG-LLVKDONJSA-N 0 1 247.346 2.094 20 0 BEADMN CCn1cc([C@@H](C)NCc2n[nH]c(C)c2C)cn1 ZINC000716449511 712561612 /nfs/dbraw/zinc/56/16/12/712561612.db2.gz BMDQAXOMCRKNFG-LLVKDONJSA-N 0 1 247.346 2.094 20 0 BEADMN Cc1n[nH]c(CNCc2ccc(O)cc2)c1C ZINC000716454351 712561938 /nfs/dbraw/zinc/56/19/38/712561938.db2.gz CJOYELTXZSZWIO-UHFFFAOYSA-N 0 1 231.299 2.022 20 0 BEADMN Cc1[nH]nc(CN[C@H]2C[C@@H](C)n3ccnc32)c1C ZINC000716465306 712563012 /nfs/dbraw/zinc/56/30/12/712563012.db2.gz LDNKAABLYZGDQV-KCJUWKMLSA-N 0 1 245.330 2.019 20 0 BEADMN CC(C)n1ncnc1CNC[C@@H]1C[C@H]1[C@H]1C[C@H]1C ZINC000716634178 712567917 /nfs/dbraw/zinc/56/79/17/712567917.db2.gz FRYMIVKXILBUDB-MROQNXINSA-N 0 1 248.374 2.241 20 0 BEADMN CC[C@@H](C[C@@H](C)O)Nc1ccnc(C)c1Cl ZINC000716879997 712580155 /nfs/dbraw/zinc/58/01/55/712580155.db2.gz MEFUMBBKFJJPEY-SCZZXKLOSA-N 0 1 242.750 2.427 20 0 BEADMN Cn1cnnc1[C@H]1CCCN1CCCC1CC1 ZINC000813335840 712587734 /nfs/dbraw/zinc/58/77/34/712587734.db2.gz IYZUJWUKWSRSPV-GFCCVEGCSA-N 0 1 234.347 2.142 20 0 BEADMN CCOC(=O)c1ccc(CN[C@H]2C=CCC2)o1 ZINC000826943223 712592926 /nfs/dbraw/zinc/59/29/26/712592926.db2.gz WDFBAOMTDFRKGF-JTQLQIEISA-N 0 1 235.283 2.265 20 0 BEADMN CCOC(=O)c1ccc(CN[C@@H]2C=CCC2)o1 ZINC000826943224 712592936 /nfs/dbraw/zinc/59/29/36/712592936.db2.gz WDFBAOMTDFRKGF-SNVBAGLBSA-N 0 1 235.283 2.265 20 0 BEADMN CC(C)c1ccccc1C[N@H+]1CCCNC(=O)C1 ZINC000848883045 712610064 /nfs/dbraw/zinc/61/00/64/712610064.db2.gz HSACUXHZRQUSMA-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CC(C)c1ccccc1CN1CCCNC(=O)C1 ZINC000848883045 712610066 /nfs/dbraw/zinc/61/00/66/712610066.db2.gz HSACUXHZRQUSMA-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN c1nc2c(ncnc2NCC[C@@H]2CC[C@H]3C[C@H]32)[nH]1 ZINC000717127409 712634172 /nfs/dbraw/zinc/63/41/72/712634172.db2.gz ZJMGTCBRANBKMS-GUBZILKMSA-N 0 1 243.314 2.153 20 0 BEADMN CC(C)n1ncnc1CNCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717138533 712634780 /nfs/dbraw/zinc/63/47/80/712634780.db2.gz QTTIMXZPTWSZHH-YNEHKIRRSA-N 0 1 248.374 2.385 20 0 BEADMN CCS[C@@H]1CCC[C@H]1NCc1nncs1 ZINC000930443329 712712432 /nfs/dbraw/zinc/71/24/32/712712432.db2.gz RMXRIUBSUFMKAD-RKDXNWHRSA-N 0 1 243.401 2.302 20 0 BEADMN Cc1coc(CNCCOC2CCC2)c1 ZINC000718059522 712739874 /nfs/dbraw/zinc/73/98/74/712739874.db2.gz URCKBXBYFJKWTB-UHFFFAOYSA-N 0 1 209.289 2.247 20 0 BEADMN Cc1coc(CNCCOCC(F)(F)F)c1 ZINC000718060340 712739910 /nfs/dbraw/zinc/73/99/10/712739910.db2.gz ZEMVFYJEMRSSOX-UHFFFAOYSA-N 0 1 237.221 2.257 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@@]1(C)C(=O)[O-] ZINC000718636614 712776181 /nfs/dbraw/zinc/77/61/81/712776181.db2.gz KYJOPDFBLPCYMH-MWLCHTKSSA-N 0 1 249.301 2.464 20 0 BEADMN O[C@H](CNCc1ccco1)c1cccc(F)c1 ZINC000037882836 712779815 /nfs/dbraw/zinc/77/98/15/712779815.db2.gz IPRYNCHMDIWYAY-CYBMUJFWSA-N 0 1 235.258 2.242 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCC=CCCC2)[nH]1 ZINC000719021263 712793700 /nfs/dbraw/zinc/79/37/00/712793700.db2.gz SQCBWCMPSROZEL-SNVBAGLBSA-N 0 1 234.303 2.188 20 0 BEADMN CC(C)c1nsc(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC000719572539 712811112 /nfs/dbraw/zinc/81/11/12/712811112.db2.gz VMHXZIZKCCJQQU-RKDXNWHRSA-N 0 1 240.376 2.166 20 0 BEADMN CC(C)(O)[C@@H]1CCCN(Cc2ccns2)C1 ZINC000719651201 712820890 /nfs/dbraw/zinc/82/08/90/712820890.db2.gz FOQGAASXSDPMIV-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN c1cc(CNC[C@@]23C[C@@H]2CCCC3)no1 ZINC000720399068 712838475 /nfs/dbraw/zinc/83/84/75/712838475.db2.gz WOHDWYXZNJHVIZ-CMPLNLGQSA-N 0 1 206.289 2.345 20 0 BEADMN COCC(C)(C)CCNCc1cc(C)on1 ZINC000720410671 712840677 /nfs/dbraw/zinc/84/06/77/712840677.db2.gz BIQRAVKSWRCXCK-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN C[C@@H]1Cc2cc(CNCCF)ccc2O1 ZINC000720779665 712865516 /nfs/dbraw/zinc/86/55/16/712865516.db2.gz MVACKYDVOHQPDI-SECBINFHSA-N 0 1 209.264 2.069 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cn(C)cn1 ZINC000720889905 712874393 /nfs/dbraw/zinc/87/43/93/712874393.db2.gz AYVJJEHTMMBENG-KZVDOYCCSA-N 0 1 249.358 2.028 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1ccc(F)cc1O ZINC000721152503 712892755 /nfs/dbraw/zinc/89/27/55/712892755.db2.gz WUFSJUHULIZIAD-LLVKDONJSA-N 0 1 235.258 2.204 20 0 BEADMN CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ccc1C ZINC001037986249 712896805 /nfs/dbraw/zinc/89/68/05/712896805.db2.gz LJKYXFHKHRKLTN-OAHLLOKOSA-N 0 1 246.354 2.014 20 0 BEADMN CC(=O)NC[C@H]1CCN1Cc1cc(C)ccc1C ZINC001037986249 712896806 /nfs/dbraw/zinc/89/68/06/712896806.db2.gz LJKYXFHKHRKLTN-OAHLLOKOSA-N 0 1 246.354 2.014 20 0 BEADMN CC(=O)NC[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001037986370 712896816 /nfs/dbraw/zinc/89/68/16/712896816.db2.gz LZYXIVJJYALHHY-CQSZACIVSA-N 0 1 238.375 2.167 20 0 BEADMN CC/C=C\CCCN1C[C@@H](OC)[C@@H](F)C1 ZINC001208134421 956989360 /nfs/dbraw/zinc/98/93/60/956989360.db2.gz KKGGHUSSEKLUPQ-KBIXYVOKSA-N 0 1 215.312 2.402 20 0 BEADMN CN1CCC(=Nc2c(F)cnc(F)c2F)CC1 ZINC001208718856 957136378 /nfs/dbraw/zinc/13/63/78/957136378.db2.gz NARKBJPXILKLMJ-UHFFFAOYSA-N 0 1 243.232 2.130 20 0 BEADMN CC(C)c1ccc(N2C[C@@H](C)N(C)C[C@H]2C)nn1 ZINC001164638045 719186209 /nfs/dbraw/zinc/18/62/09/719186209.db2.gz QFHJGAVPMSDDNZ-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1cc(N2C[C@H](C)N(C)C[C@@H]2C)ncn1 ZINC000351505245 719186549 /nfs/dbraw/zinc/18/65/49/719186549.db2.gz MIXVEPZBQBGZJD-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1ccnc(N2C[C@@H](C)N(C)C[C@@H]2C)c1F ZINC001164642480 719201903 /nfs/dbraw/zinc/20/19/03/719201903.db2.gz VYAJMKWOMAJGFP-MNOVXSKESA-N 0 1 237.322 2.058 20 0 BEADMN Cc1ccnc(N2C[C@@H](C)N(C)C[C@H]2C)c1F ZINC001164642479 719202236 /nfs/dbraw/zinc/20/22/36/719202236.db2.gz VYAJMKWOMAJGFP-GHMZBOCLSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1ccnc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001164638782 719220555 /nfs/dbraw/zinc/22/05/55/719220555.db2.gz PEAUMQDVZRSYEW-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN CCOc1cccnc1N1C[C@@H](C)N(C)C[C@H]1C ZINC001164633226 719248414 /nfs/dbraw/zinc/24/84/14/719248414.db2.gz KHTVBXPKUBPDOA-VXGBXAGGSA-N 0 1 249.358 2.009 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001209553858 957506080 /nfs/dbraw/zinc/50/60/80/957506080.db2.gz CVRIVMPCQZELJO-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000082604364 957797306 /nfs/dbraw/zinc/79/73/06/957797306.db2.gz UTGONAMBALVCDA-GVDBZTIHSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H](CSCC[C@@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000083051099 957818785 /nfs/dbraw/zinc/81/87/85/957818785.db2.gz AOFZNIPTNQPBQT-QWRGUYRKSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])s1 ZINC000083408841 957825546 /nfs/dbraw/zinc/82/55/46/957825546.db2.gz WKHTVFSLSGNRPD-UHFFFAOYSA-N 0 1 227.329 2.352 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC000083839878 957834052 /nfs/dbraw/zinc/83/40/52/957834052.db2.gz ZTKIQRMZYDEDEC-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1nn(C)cc1CN1CCCC[C@](C)(F)C1 ZINC001204576302 958536133 /nfs/dbraw/zinc/53/61/33/958536133.db2.gz IUQBJSCAKCLGQL-ZDUSSCGKSA-N 0 1 239.338 2.443 20 0 BEADMN C#CCN(Cc1cc(C#N)cs1)CC1CC1 ZINC000092099600 958857927 /nfs/dbraw/zinc/85/79/27/958857927.db2.gz RIYVTFOPTSWHLW-UHFFFAOYSA-N 0 1 230.336 2.465 20 0 BEADMN Cc1nc[nH]c1CN1CC[C@H](F)C(F)(F)CC1 ZINC001204588877 958921895 /nfs/dbraw/zinc/92/18/95/958921895.db2.gz MXUBJAQGMFCHFH-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN O=C([O-])c1ccc(C[NH+]2CCC(F)(F)CC2)o1 ZINC000405070033 959370511 /nfs/dbraw/zinc/37/05/11/959370511.db2.gz VTQLLZNNACSKQI-UHFFFAOYSA-N 0 1 245.225 2.209 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000382298566 959594102 /nfs/dbraw/zinc/59/41/02/959594102.db2.gz MSYRMEGPQUXRAW-QWRGUYRKSA-N 0 1 211.305 2.116 20 0 BEADMN CCC1CCN(Cc2cc(C)n[nH]2)CC1 ZINC001203069764 960610820 /nfs/dbraw/zinc/61/08/20/960610820.db2.gz CQPMTFHSPJEYKF-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN Nc1cccc(F)c1CN1CCC[C@H]2C[C@H]21 ZINC001140876984 960659045 /nfs/dbraw/zinc/65/90/45/960659045.db2.gz SQAJSYHUBVSWDU-TVQRCGJNSA-N 0 1 220.291 2.392 20 0 BEADMN CCCN(CCOC)Cc1c(N)cccc1F ZINC001140872111 960661604 /nfs/dbraw/zinc/66/16/04/960661604.db2.gz OSXMBDDZWVVPOF-UHFFFAOYSA-N 0 1 240.322 2.266 20 0 BEADMN CC1(C)COCCN1CCc1ccc(F)cc1 ZINC001207515172 960686117 /nfs/dbraw/zinc/68/61/17/960686117.db2.gz LLRZCSWYZLXNJJ-UHFFFAOYSA-N 0 1 237.318 2.479 20 0 BEADMN FC1(F)CC[C@@H]2CN(Cc3cnco3)C[C@@H]21 ZINC001140928007 960692434 /nfs/dbraw/zinc/69/24/34/960692434.db2.gz FFVSASINACCSQB-SCZZXKLOSA-N 0 1 228.242 2.152 20 0 BEADMN c1coc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001141007518 960809347 /nfs/dbraw/zinc/80/93/47/960809347.db2.gz PSVWWFZGMDHYTQ-QWRGUYRKSA-N 0 1 206.289 2.439 20 0 BEADMN CN(Cc1c[nH]nc1C(F)(F)F)C1CC1 ZINC001141011483 960816323 /nfs/dbraw/zinc/81/63/23/960816323.db2.gz FKEUBFGXCGMBGS-UHFFFAOYSA-N 0 1 219.210 2.023 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1ccnc(N)n1 ZINC000087836947 961757800 /nfs/dbraw/zinc/75/78/00/961757800.db2.gz PMIBHKYHKCJEMI-IUCAKERBSA-N 0 1 208.309 2.295 20 0 BEADMN CCCN1C(=O)N=NC1SC[Si](C)(C)C ZINC000729241074 962121104 /nfs/dbraw/zinc/12/11/04/962121104.db2.gz HPDLPOZLRGMGOQ-UHFFFAOYSA-N 0 1 245.424 2.363 20 0 BEADMN CCCCCC(=O)NC[C@@H](C)N(CC)CCF ZINC001151887237 962351531 /nfs/dbraw/zinc/35/15/31/962351531.db2.gz WJUVGXKIAYXFRE-GFCCVEGCSA-N 0 1 246.370 2.363 20 0 BEADMN Cc1ccc(N2C[C@@H](C)OC[C@H]2C)nc1C ZINC001155417629 963070108 /nfs/dbraw/zinc/07/01/08/963070108.db2.gz KNTAZZDMJPUHAV-GHMZBOCLSA-N 0 1 220.316 2.312 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1(C)CCCC1)C(=O)[O-] ZINC000308975378 963319412 /nfs/dbraw/zinc/31/94/12/963319412.db2.gz BSIACPFJCHTBJY-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000309128472 963327205 /nfs/dbraw/zinc/32/72/05/963327205.db2.gz BTDINUOPDMUZCQ-SDDRHHMPSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1cc(C)nc(N(C)Cc2ccno2)c1 ZINC001157351302 963578553 /nfs/dbraw/zinc/57/85/53/963578553.db2.gz VAUJGSBDWIWMSN-UHFFFAOYSA-N 0 1 217.272 2.323 20 0 BEADMN CCC1(Nc2ccc(C)c(C)n2)COC1 ZINC001157535941 963646926 /nfs/dbraw/zinc/64/69/26/963646926.db2.gz FXSAEAMEYCLCHT-UHFFFAOYSA-N 0 1 206.289 2.289 20 0 BEADMN Cc1ccc(CN(C)CC2COC2)c(Cl)n1 ZINC001142140087 963697889 /nfs/dbraw/zinc/69/78/89/963697889.db2.gz KCTLNTAHKNSDMH-UHFFFAOYSA-N 0 1 240.734 2.122 20 0 BEADMN O=c1nc(OC(C2CC2)C2CC2)c(Cl)c[nH]1 ZINC001228480871 963824772 /nfs/dbraw/zinc/82/47/72/963824772.db2.gz QYNWNZISGZOCFE-UHFFFAOYSA-N 0 1 240.690 2.403 20 0 BEADMN COC(=O)C[C@@H](C)Nc1cc(C)c(C)cn1 ZINC001160531967 964331164 /nfs/dbraw/zinc/33/11/64/964331164.db2.gz IZHZNAYTCNAEHQ-SNVBAGLBSA-N 0 1 222.288 2.062 20 0 BEADMN CCC(=O)Nc1cc(NCC(C)(F)F)ccn1 ZINC001162239880 964888803 /nfs/dbraw/zinc/88/88/03/964888803.db2.gz RNHLUNZWZBLACS-UHFFFAOYSA-N 0 1 243.257 2.497 20 0 BEADMN CC(C)c1nnc(N=c2cc[nH]cc2Cl)o1 ZINC001212144010 965069372 /nfs/dbraw/zinc/06/93/72/965069372.db2.gz ADYCZMPRKSTUFZ-UHFFFAOYSA-N 0 1 238.678 2.407 20 0 BEADMN Cc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)sn1 ZINC001233312671 965489146 /nfs/dbraw/zinc/48/91/46/965489146.db2.gz DXRIIOBGDGTRKK-RTCCRHLQSA-N 0 1 226.320 2.099 20 0 BEADMN CC[C@@H](F)CN(C)[C@@H](C)CNC(=O)C=C(C)C ZINC001485270728 966575231 /nfs/dbraw/zinc/57/52/31/966575231.db2.gz PTTOYDUEDQSYHJ-NWDGAFQWSA-N 0 1 244.354 2.137 20 0 BEADMN C/C=C(\C)C(=O)NC[C@H](C)N(C)C[C@@H](F)CC ZINC001485290114 966583033 /nfs/dbraw/zinc/58/30/33/966583033.db2.gz RLGIUVQAACNOKB-RZZPXTMHSA-N 0 1 244.354 2.137 20 0 BEADMN Cc1cccc(CN2CC3(CCC3)C2)n1 ZINC001204067323 966874916 /nfs/dbraw/zinc/87/49/16/966874916.db2.gz UJYWLCVZWPMDQK-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN C[C@H]1CCN(Cc2nccs2)CC[C@@]1(C)O ZINC001204544540 967043160 /nfs/dbraw/zinc/04/31/60/967043160.db2.gz DJHHZPXNQCBHLF-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000043447063 1165815385 /nfs/dbraw/zinc/81/53/85/1165815385.db2.gz ZMGKRRBXVVFDHO-VXGBXAGGSA-N 0 1 227.348 2.449 20 0 BEADMN C1=C(C2CC2)CC[C@H](N2CCOCC2)C1 ZINC001250035950 967286581 /nfs/dbraw/zinc/28/65/81/967286581.db2.gz GOSBIUPFCSPARD-CYBMUJFWSA-N 0 1 207.317 2.208 20 0 BEADMN C[NH+](C)CCc1c(Cl)ccc([O-])c1F ZINC001250159729 967451500 /nfs/dbraw/zinc/45/15/00/967451500.db2.gz JQHACQADYVORIU-UHFFFAOYSA-N 0 1 217.671 2.289 20 0 BEADMN C[C@H](O)CCCNCc1c(Cl)ccnc1F ZINC001205550919 967688349 /nfs/dbraw/zinc/68/83/49/967688349.db2.gz FLEHXDZMCMQLGD-QMMMGPOBSA-N 0 1 246.713 2.125 20 0 BEADMN Cc1cc2cc[nH]c2c(NCc2cccnn2)n1 ZINC001167319074 1165885417 /nfs/dbraw/zinc/88/54/17/1165885417.db2.gz HPGRKPVVSOODBQ-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@]1(C(=O)OC2CCCCC2)CCCN1 ZINC000070618298 1165938981 /nfs/dbraw/zinc/93/89/81/1165938981.db2.gz HBJYOOWQOIMYKM-GFCCVEGCSA-N 0 1 211.305 2.004 20 0 BEADMN COc1cnccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001206486958 968332685 /nfs/dbraw/zinc/33/26/85/968332685.db2.gz BGLPQVUSDQOCKG-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN CCCC[C@H](O)CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001252083782 968506312 /nfs/dbraw/zinc/50/63/12/968506312.db2.gz SXOHEYHMXRXLIF-QJPTWQEYSA-N 0 1 235.318 2.310 20 0 BEADMN CCCC[C@H](O)CN1CCc2ncsc2C1 ZINC001252094880 968572467 /nfs/dbraw/zinc/57/24/67/968572467.db2.gz RKGCXLWAYUFXMA-JTQLQIEISA-N 0 1 240.372 2.052 20 0 BEADMN CCCCCCNC(=O)c1ccc(CN)o1 ZINC000087046250 968683119 /nfs/dbraw/zinc/68/31/19/968683119.db2.gz RPGSABXQTJUAIW-UHFFFAOYSA-N 0 1 224.304 2.048 20 0 BEADMN C=Cc1ccc2nc(C(=O)OCC)[nH]c2c1 ZINC001240833999 968741785 /nfs/dbraw/zinc/74/17/85/968741785.db2.gz ZAUWELRCPBKPJW-UHFFFAOYSA-N 0 1 216.240 2.383 20 0 BEADMN O=C([O-])C1(C[N@@H+](Cc2ccoc2)C2CC2)CC1 ZINC000723755557 1166117837 /nfs/dbraw/zinc/11/78/37/1166117837.db2.gz KRVFSACADANWFJ-UHFFFAOYSA-N 0 1 235.283 2.109 20 0 BEADMN CN(Cc1ncccn1)CC1CCSCC1 ZINC001207696571 968865036 /nfs/dbraw/zinc/86/50/36/968865036.db2.gz ILNDGTMMQBRICG-UHFFFAOYSA-N 0 1 237.372 2.052 20 0 BEADMN CC(C)c1cnc(C2=CCCN(C)C2)nc1 ZINC001241566487 969053176 /nfs/dbraw/zinc/05/31/76/969053176.db2.gz XFTYZHHNCGSATJ-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CCC=C(c2cc(N)ccc2F)C1 ZINC001241570443 969060273 /nfs/dbraw/zinc/06/02/73/969060273.db2.gz IZNFZPQKVYPCGP-UHFFFAOYSA-N 0 1 206.264 2.127 20 0 BEADMN Cc1ccc([C@@H](C)CCN2CC(C)(CO)C2)o1 ZINC001208152623 969081597 /nfs/dbraw/zinc/08/15/97/969081597.db2.gz UAFRFLFRRBWJMD-NSHDSACASA-N 0 1 237.343 2.396 20 0 BEADMN CC1=C[C@H](C)[C@H](CN2CC3(CCO3)C2)CC1 ZINC001208183118 969111541 /nfs/dbraw/zinc/11/15/41/969111541.db2.gz XDUBEQNQSMEINE-STQMWFEESA-N 0 1 221.344 2.454 20 0 BEADMN CN(CCc1cccc(F)c1)C1(C)COC1 ZINC001208199576 969127011 /nfs/dbraw/zinc/12/70/11/969127011.db2.gz UAMNPTZGYOHRNC-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN CCS(=O)(=O)Nc1cccc2ccoc21 ZINC001253367186 969141211 /nfs/dbraw/zinc/14/12/11/969141211.db2.gz SYZBOZDVEPXNBL-UHFFFAOYSA-N 0 1 225.269 2.194 20 0 BEADMN C[Si](C)(C)c1ccc(CN2CCC2)cc1 ZINC000306265815 1166263977 /nfs/dbraw/zinc/26/39/77/1166263977.db2.gz FKXJXIURNNKMSB-UHFFFAOYSA-N 0 1 219.404 2.438 20 0 BEADMN CCCCC[C@H](O)CN1C[C@@H](C)OC[C@H]1C ZINC001253536158 969210272 /nfs/dbraw/zinc/21/02/72/969210272.db2.gz DYTDMEDNPHBSKS-UPJWGTAASA-N 0 1 229.364 2.037 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(F)ccc2N)C1 ZINC000230228018 1166281800 /nfs/dbraw/zinc/28/18/00/1166281800.db2.gz NZZBQMMTWDELSF-GFCCVEGCSA-N 0 1 238.306 2.019 20 0 BEADMN CC(C)CCCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001208735112 969220686 /nfs/dbraw/zinc/22/06/86/969220686.db2.gz TWNJHMRTQHPASO-RYUDHWBXSA-N 0 1 235.318 2.167 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(F)cc2)[nH]1 ZINC000116605354 1166299797 /nfs/dbraw/zinc/29/97/97/1166299797.db2.gz BHVKZNJGKVZSGL-UHFFFAOYSA-N 0 1 220.247 2.339 20 0 BEADMN CC1(CN2CC3(C2)CS(=O)C3)CCCCC1 ZINC001208897292 969286741 /nfs/dbraw/zinc/28/67/41/969286741.db2.gz WOVPVNKFCXWTGM-UHFFFAOYSA-N 0 1 241.400 2.021 20 0 BEADMN CCC[C@@H](C)CC(=O)NCC1(NCCF)CC1 ZINC001670755646 1166331012 /nfs/dbraw/zinc/33/10/12/1166331012.db2.gz PCBZZFNAMGPKEX-LLVKDONJSA-N 0 1 244.354 2.021 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000708248695 1166348703 /nfs/dbraw/zinc/34/87/03/1166348703.db2.gz AYCUAZQSVHVFKT-TUAOUCFPSA-N 0 1 239.359 2.449 20 0 BEADMN COCCCCN1CCCC(F)(F)[C@@H](F)C1 ZINC001209217532 969405440 /nfs/dbraw/zinc/40/54/40/969405440.db2.gz HRHDCMCCJMXXNS-JTQLQIEISA-N 0 1 239.281 2.482 20 0 BEADMN Cc1ccncc1-c1noc([C@@H]2CCCCN2)n1 ZINC000167841828 1166417603 /nfs/dbraw/zinc/41/76/03/1166417603.db2.gz JOCNWYTXERSODX-NSHDSACASA-N 0 1 244.298 2.255 20 0 BEADMN Cc1cnc(CN)n1C1CCC(F)(F)CC1 ZINC001254211006 969539844 /nfs/dbraw/zinc/53/98/44/969539844.db2.gz HYKAYZCVOLDCDU-UHFFFAOYSA-N 0 1 229.274 2.401 20 0 BEADMN CCOC(=O)C1CN(C2CCC(F)(F)CC2)C1 ZINC001254223704 969546715 /nfs/dbraw/zinc/54/67/15/969546715.db2.gz NYRIDTLZNJYGGW-UHFFFAOYSA-N 0 1 247.285 2.059 20 0 BEADMN c1csc(CN[C@H]2COc3ccccc3C2)n1 ZINC000328110909 1166454448 /nfs/dbraw/zinc/45/44/48/1166454448.db2.gz JAOWRATXMCIFCC-LLVKDONJSA-N 0 1 246.335 2.236 20 0 BEADMN CC[C@H](C)N[C@@H]1c2cc(C)ccc2NC1=O ZINC000100772743 1166513707 /nfs/dbraw/zinc/51/37/07/1166513707.db2.gz QLQCYPINHQZFQA-JOYOIKCWSA-N 0 1 218.300 2.376 20 0 BEADMN C(=C\C1CC1)\CN=c1nc[nH]c2ccsc21 ZINC000378786799 1166558991 /nfs/dbraw/zinc/55/89/91/1166558991.db2.gz KKEGQHMBDLBPRD-UPHRSURJSA-N 0 1 231.324 2.491 20 0 BEADMN Cc1ccc2nc(CN)n(C(C)C)c2c1 ZINC000107289366 1166576603 /nfs/dbraw/zinc/57/66/03/1166576603.db2.gz UNHRMLDAFVNZNA-UHFFFAOYSA-N 0 1 203.289 2.384 20 0 BEADMN CC=C(C)Nc1c(F)cccc1C(N)=O ZINC001210798595 970040231 /nfs/dbraw/zinc/04/02/31/970040231.db2.gz XYNBMDFGVQYBIN-XVNBXDOJSA-N 0 1 208.236 2.260 20 0 BEADMN CCCC[C@H](C)N1CC(=O)N(CC)C[C@H]1C ZINC001255332243 970116116 /nfs/dbraw/zinc/11/61/16/970116116.db2.gz LKDYRYCVXSGLEJ-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN CCCC[C@@H](C)N1CCN(C(=O)C(C)C)CC1 ZINC001255334546 970120657 /nfs/dbraw/zinc/12/06/57/970120657.db2.gz SHORDVXPTZOSDZ-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN COC1CCC(N2C[C@@H](F)C[C@H]2CF)CC1 ZINC001255456525 970186942 /nfs/dbraw/zinc/18/69/42/970186942.db2.gz DEELZAMPQHRAKQ-VOBJUBJWSA-N 0 1 233.302 2.326 20 0 BEADMN CCc1cccc(O)c1Nc1cncn1C ZINC001211253284 970198742 /nfs/dbraw/zinc/19/87/42/970198742.db2.gz DTMLCURYLOQXRK-UHFFFAOYSA-N 0 1 217.272 2.432 20 0 BEADMN CCc1cnc(CNCCC(F)F)s1 ZINC000394915079 1166656826 /nfs/dbraw/zinc/65/68/26/1166656826.db2.gz LHBAAKOFFPMCSE-UHFFFAOYSA-N 0 1 220.288 2.450 20 0 BEADMN CC[C@@H](NCc1c[nH]nn1)c1ccc(F)cc1 ZINC000398272420 1166709171 /nfs/dbraw/zinc/70/91/71/1166709171.db2.gz AMMQXTLZCHQFSR-GFCCVEGCSA-N 0 1 234.278 2.185 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@H](NCc2csnn2)C1 ZINC000398238407 1166707950 /nfs/dbraw/zinc/70/79/50/1166707950.db2.gz AIDMTXCSYDXDDJ-FXPVBKGRSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H](CO)c1cccnc1 ZINC001255645022 970419818 /nfs/dbraw/zinc/41/98/18/970419818.db2.gz YSMPLAMOCQUBNW-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H](CO)c1cccnc1 ZINC001255645024 970422058 /nfs/dbraw/zinc/42/20/58/970422058.db2.gz YSMPLAMOCQUBNW-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN COc1ccc2nc(-c3cncc(O)c3)[nH]c2c1 ZINC000086576325 1166769753 /nfs/dbraw/zinc/76/97/53/1166769753.db2.gz XBZFTTXXBKVSTH-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN c1ncc(CO[C@@H]2CCCc3cccnc32)[nH]1 ZINC001222999440 1166770785 /nfs/dbraw/zinc/77/07/85/1166770785.db2.gz BOHFUGLSEPCVIE-GFCCVEGCSA-N 0 1 229.283 2.399 20 0 BEADMN CC[C@H]1C[C@H](N2CC(OC(C)C)C2)CCO1 ZINC001170240455 970618898 /nfs/dbraw/zinc/61/88/98/970618898.db2.gz QKORDSCSCSUMNZ-NEPJUHHUSA-N 0 1 227.348 2.053 20 0 BEADMN NCc1nc2ccccc2n1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167890558 1166891526 /nfs/dbraw/zinc/89/15/26/1166891526.db2.gz FKLWPKJWYFRFLI-JGPRNRPPSA-N 0 1 227.311 2.466 20 0 BEADMN Cc1cc(CN[C@@H](C(C)C)C(F)(F)F)n[nH]1 ZINC000381513334 1166940258 /nfs/dbraw/zinc/94/02/58/1166940258.db2.gz RRSBOSNJGNYPFY-VIFPVBQESA-N 0 1 235.253 2.395 20 0 BEADMN CCC[C@H](C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780436 975080342 /nfs/dbraw/zinc/08/03/42/975080342.db2.gz KDAJSNAQWMHYQU-LURJTMIESA-N 0 1 238.316 2.209 20 0 BEADMN CCSC[C@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001173299725 975191824 /nfs/dbraw/zinc/19/18/24/975191824.db2.gz IHENMOKVQVZHIE-UWVGGRQHSA-N 0 1 233.352 2.131 20 0 BEADMN CCSC[C@H](C)N1CCn2c(cnc2C)C1 ZINC001173302085 975198510 /nfs/dbraw/zinc/19/85/10/975198510.db2.gz OHDYNUYKJBHNPQ-JTQLQIEISA-N 0 1 239.388 2.149 20 0 BEADMN CC(C)C[C@H](C)CNCc1csnn1 ZINC000398245635 1167049059 /nfs/dbraw/zinc/04/90/59/1167049059.db2.gz RXJHJDCKYMBQLN-VIFPVBQESA-N 0 1 213.350 2.310 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1cnc(C)nc1 ZINC001173310704 975219105 /nfs/dbraw/zinc/21/91/05/975219105.db2.gz HGTQIYIKPKGQKW-SNVBAGLBSA-N 0 1 239.388 2.358 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@@H](C)CSCC ZINC001173310782 975221003 /nfs/dbraw/zinc/22/10/03/975221003.db2.gz IBWKEIGPXMFHCT-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN CC(C)c1nc(CNC[C@@H]2CCN2C)cs1 ZINC000712585295 1167052327 /nfs/dbraw/zinc/05/23/27/1167052327.db2.gz FGOFVCNXBSHYOJ-NSHDSACASA-N 0 1 239.388 2.060 20 0 BEADMN C[C@H]1CC(C)(C)C[C@@H]1NCc1csnn1 ZINC000398327406 1167053284 /nfs/dbraw/zinc/05/32/84/1167053284.db2.gz JLAISSVITJCQIQ-WPRPVWTQSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)c1ccncc1 ZINC001225990978 1167062026 /nfs/dbraw/zinc/06/20/26/1167062026.db2.gz PMKQBTPLGIFHPT-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN Clc1ccc2nc(OC[C@@H]3CCO3)[nH]c2c1 ZINC001227262650 975337799 /nfs/dbraw/zinc/33/77/99/975337799.db2.gz UNMFMFDFHHWCMV-QMMMGPOBSA-N 0 1 238.674 2.384 20 0 BEADMN CCCCC[C@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001333136695 975484220 /nfs/dbraw/zinc/48/42/20/975484220.db2.gz HYYVJQDFHVAPOQ-JTQLQIEISA-N 0 1 242.344 2.266 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCC[C@H](C)C1 ZINC001227598538 975570310 /nfs/dbraw/zinc/57/03/10/975570310.db2.gz JOGCDBMIOKFMHD-CBAPKCEASA-N 0 1 239.344 2.426 20 0 BEADMN OCCCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000308898511 1167214988 /nfs/dbraw/zinc/21/49/88/1167214988.db2.gz BVVIAVCZPZPTCQ-UHFFFAOYSA-N 0 1 228.654 2.280 20 0 BEADMN CN1CCC[C@H](Oc2nc(Cl)ccc2F)C1 ZINC001227878681 975759013 /nfs/dbraw/zinc/75/90/13/975759013.db2.gz DBNRPLHSYYQFEO-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN COc1ccc(Nc2cncn2C)cc1F ZINC001173862180 975804525 /nfs/dbraw/zinc/80/45/25/975804525.db2.gz XQOQBPJZDUNZNY-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN COC(=O)c1ccc(Nc2ccncc2)s1 ZINC001173879044 975909269 /nfs/dbraw/zinc/90/92/69/975909269.db2.gz BRLNOSVVOVFCMP-UHFFFAOYSA-N 0 1 234.280 2.095 20 0 BEADMN Clc1cnc(Nc2ccncc2)c(Cl)n1 ZINC001173879192 975909572 /nfs/dbraw/zinc/90/95/72/975909572.db2.gz KLZIDJXTRKNJOQ-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN Cc1cc(CNc2cccc(C)n2)n[nH]1 ZINC000309182464 1167262873 /nfs/dbraw/zinc/26/28/73/1167262873.db2.gz NZAJYSDLUTYLME-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cc(CNc2ccn(C(C)C)n2)n[nH]1 ZINC000309340286 1167292617 /nfs/dbraw/zinc/29/26/17/1167292617.db2.gz KBMGCNKZNNLUDN-UHFFFAOYSA-N 0 1 219.292 2.108 20 0 BEADMN Cc1noc([C@H](C)NCCCC(F)(F)F)n1 ZINC000309359031 1167296992 /nfs/dbraw/zinc/29/69/92/1167296992.db2.gz AEZJOOSDQSIMBB-LURJTMIESA-N 0 1 237.225 2.371 20 0 BEADMN C[C@@H](Oc1nc(=O)[nH]cc1Cl)C1CCC1 ZINC001228480820 976246299 /nfs/dbraw/zinc/24/62/99/976246299.db2.gz PSHCBOHTTATXJE-ZCFIWIBFSA-N 0 1 228.679 2.403 20 0 BEADMN Cc1cc(CN2CC[C@H](CF)C2)cnc1F ZINC001335088472 976846118 /nfs/dbraw/zinc/84/61/18/976846118.db2.gz DYKVNMSBKPXJPH-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN CCn1cc(CN(C(C)C)C2CCC2)nn1 ZINC001335454426 977069917 /nfs/dbraw/zinc/06/99/17/977069917.db2.gz BXLOFTQQNXOROX-UHFFFAOYSA-N 0 1 222.336 2.061 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CCC[C@H](C)C2)n1 ZINC001230279964 977155536 /nfs/dbraw/zinc/15/55/36/977155536.db2.gz KQDWJYRSHGMOQH-IUCAKERBSA-N 0 1 238.287 2.154 20 0 BEADMN COC(=O)c1c[nH]c(OC2CCCCCC2)n1 ZINC001230279091 977160211 /nfs/dbraw/zinc/16/02/11/977160211.db2.gz BZXZIGKMSZZEFC-UHFFFAOYSA-N 0 1 238.287 2.298 20 0 BEADMN CC1(NCc2ncc(Cl)s2)CC1 ZINC000225350896 1167440765 /nfs/dbraw/zinc/44/07/65/1167440765.db2.gz GIJYBJJPSHXPHL-UHFFFAOYSA-N 0 1 202.710 2.439 20 0 BEADMN Cc1ccnc(C)c1NC1=CCCN(C)C1 ZINC001175575245 977568372 /nfs/dbraw/zinc/56/83/72/977568372.db2.gz PWMLDDXLSNVBLY-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN CCCOc1ncccc1CN(C)CC ZINC001231859354 977771825 /nfs/dbraw/zinc/77/18/25/977771825.db2.gz BPNSUCMLKOVPCE-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN COCCN(C)Cc1ccnc(C(F)F)c1 ZINC001231887385 977782945 /nfs/dbraw/zinc/78/29/45/977782945.db2.gz QHBQEGBEKGXFLP-UHFFFAOYSA-N 0 1 230.258 2.097 20 0 BEADMN COC[C@@H]1CCCN1Cc1cnc(F)c(C)c1 ZINC001231923782 977799277 /nfs/dbraw/zinc/79/92/77/977799277.db2.gz WRPCHJFKBVLKQR-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Oc1cncc(CN2CCCCC23CC3)c1 ZINC001232044827 977870063 /nfs/dbraw/zinc/87/00/63/977870063.db2.gz OCBNFTTVMJBDMQ-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN CN(Cc1cn(C)nc1C(F)(F)F)C1CC1 ZINC001232085739 977889399 /nfs/dbraw/zinc/88/93/99/977889399.db2.gz HNZQUYBQKLNLJA-UHFFFAOYSA-N 0 1 233.237 2.033 20 0 BEADMN CO[C@H]1CCN(Cc2cnsc2)[C@@H](C)C1 ZINC001232232822 977967743 /nfs/dbraw/zinc/96/77/43/977967743.db2.gz XPSOYMMEHJFKEX-ONGXEEELSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@H]1CCCN(Cc2cnsc2)CC1 ZINC001232230656 977966271 /nfs/dbraw/zinc/96/62/71/977966271.db2.gz RKBCAZYFIDVNAI-NSHDSACASA-N 0 1 226.345 2.144 20 0 BEADMN CCOc1ccc(CN2CC[C@H]2C)c(C)n1 ZINC001232307672 978001742 /nfs/dbraw/zinc/00/17/42/978001742.db2.gz DPUQUKIYFUMFQL-SNVBAGLBSA-N 0 1 220.316 2.383 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cccnc23)C[C@@H]1F ZINC001231486208 1167660144 /nfs/dbraw/zinc/66/01/44/1167660144.db2.gz NVHJRQGOCSCBRR-KOLCDFICSA-N 0 1 233.290 2.353 20 0 BEADMN Cc1ncc(CN2CC[C@@H](C)C(F)(F)C2)[nH]1 ZINC001232460456 978096262 /nfs/dbraw/zinc/09/62/62/978096262.db2.gz QWSCURQQCCETGA-MRVPVSSYSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](F)C(F)(F)C2)[nH]1 ZINC001232460468 978101625 /nfs/dbraw/zinc/10/16/25/978101625.db2.gz RMBGJWJLBOBHLU-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN COCCN(C)Cc1ccnc(Cl)c1C ZINC001232748080 978261253 /nfs/dbraw/zinc/26/12/53/978261253.db2.gz GIXJDNCISOGTRC-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN CCCn1cnc(CN(CC)C2CC2)c1 ZINC001232796545 978282941 /nfs/dbraw/zinc/28/29/41/978282941.db2.gz ZMEBGBVCXJQZBH-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN Cc1cc(CN2C[C@H](O)C[C@H]2C)c(F)cc1F ZINC001232785326 978276116 /nfs/dbraw/zinc/27/61/16/978276116.db2.gz RNAYFLMWKPOLBR-MWLCHTKSSA-N 0 1 241.281 2.228 20 0 BEADMN c1cc(CNCc2ccsc2)sn1 ZINC000404405069 1167732641 /nfs/dbraw/zinc/73/26/41/1167732641.db2.gz CLAIRQXEBAHAJJ-UHFFFAOYSA-N 0 1 210.327 2.494 20 0 BEADMN COCCCNCc1occc1Br ZINC000227363172 1167762068 /nfs/dbraw/zinc/76/20/68/1167762068.db2.gz RACRUXFUGNGGEP-UHFFFAOYSA-N 0 1 248.120 2.168 20 0 BEADMN CN1CC[C@@H]([N@@H+](C)Cc2ccc([S-])cc2)C1 ZINC001233261217 978517118 /nfs/dbraw/zinc/51/71/18/978517118.db2.gz HJDCEDPGXARDHL-GFCCVEGCSA-N 0 1 236.384 2.111 20 0 BEADMN CN(Cc1ccc([S-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC001233261217 978517123 /nfs/dbraw/zinc/51/71/23/978517123.db2.gz HJDCEDPGXARDHL-GFCCVEGCSA-N 0 1 236.384 2.111 20 0 BEADMN CN(Cc1ccc([S-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001233261217 978517127 /nfs/dbraw/zinc/51/71/27/978517127.db2.gz HJDCEDPGXARDHL-GFCCVEGCSA-N 0 1 236.384 2.111 20 0 BEADMN CN(C)CCC[N@H+](C)Cc1ccc([S-])cc1 ZINC001233258833 978515787 /nfs/dbraw/zinc/51/57/87/978515787.db2.gz WQOMWNWDAMYHST-UHFFFAOYSA-N 0 1 238.400 2.359 20 0 BEADMN CN(C)CCC[N@@H+](C)Cc1ccc([S-])cc1 ZINC001233258833 978515799 /nfs/dbraw/zinc/51/57/99/978515799.db2.gz WQOMWNWDAMYHST-UHFFFAOYSA-N 0 1 238.400 2.359 20 0 BEADMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233261927 978521097 /nfs/dbraw/zinc/52/10/97/978521097.db2.gz JUKSPQRSDLMCCD-JQWIXIFHSA-N 0 1 237.368 2.321 20 0 BEADMN Cc1cc(CN2CCC[C@H]3C[C@H]32)sn1 ZINC001233313075 978541030 /nfs/dbraw/zinc/54/10/30/978541030.db2.gz CAHMPRRZIJUGFP-GXSJLCMTSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1cc(CN2CCC[C@@]23CCOC3)sn1 ZINC001233313002 978541042 /nfs/dbraw/zinc/54/10/42/978541042.db2.gz YRHRXGSAZSSWPS-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cnsc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001233318709 978551945 /nfs/dbraw/zinc/55/19/45/978551945.db2.gz NWRZDFDYLCOSIK-MNOVXSKESA-N 0 1 238.356 2.062 20 0 BEADMN Cc1cc(CN2CC[C@@](F)(CO)C2)sc1C ZINC001233654330 978661907 /nfs/dbraw/zinc/66/19/07/978661907.db2.gz BUCMLVNFWPELQU-LBPRGKRZSA-N 0 1 243.347 2.271 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC001601987851 978877564 /nfs/dbraw/zinc/87/75/64/978877564.db2.gz LGCZVKSSOYLKEY-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001602053133 978886566 /nfs/dbraw/zinc/88/65/66/978886566.db2.gz POZZNLULQRZRAB-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN CCN(CCC1CC1)Cc1nc(CO)cs1 ZINC001180612716 978911337 /nfs/dbraw/zinc/91/13/37/978911337.db2.gz LIRQBAOOBWHLOY-UHFFFAOYSA-N 0 1 240.372 2.257 20 0 BEADMN CCCN(CCC)Cc1ncc(F)cn1 ZINC001235000092 978948593 /nfs/dbraw/zinc/94/85/93/978948593.db2.gz PGEGAITWTDANBI-UHFFFAOYSA-N 0 1 211.284 2.238 20 0 BEADMN C[C@@H](NCCCC(F)F)c1ncco1 ZINC001340131129 978976128 /nfs/dbraw/zinc/97/61/28/978976128.db2.gz GNRNPDSSJXEHNB-SSDOTTSWSA-N 0 1 204.220 2.371 20 0 BEADMN OCCCN1CCC[C@@H]1c1cc(F)ccc1F ZINC001235715161 979128725 /nfs/dbraw/zinc/12/87/25/979128725.db2.gz QJZQPMOIWVPJJL-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN C[C@H](CC(=O)[O-])[NH2+]CC(F)(F)c1ccccc1 ZINC001603134629 979387719 /nfs/dbraw/zinc/38/77/19/979387719.db2.gz VPRPGMOKGPSHAU-SECBINFHSA-N 0 1 243.253 2.231 20 0 BEADMN Cc1cccc(-c2noc(C3(N)CCCC3)n2)n1 ZINC000110473329 1168259435 /nfs/dbraw/zinc/25/94/35/1168259435.db2.gz DMBZSJNTNAMYAS-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC(C)=CC[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001603698996 979502753 /nfs/dbraw/zinc/50/27/53/979502753.db2.gz PCTHZFXIFZTWPP-UHFFFAOYSA-N 0 1 234.299 2.178 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1cccn2ccnc12 ZINC001142944458 1168274471 /nfs/dbraw/zinc/27/44/71/1168274471.db2.gz LFVWPMQRKCADQN-ZYHUDNBSSA-N 0 1 233.290 2.267 20 0 BEADMN COc1ccccc1-n1[nH]c(C2CC2)cc1=O ZINC000116605143 1168308787 /nfs/dbraw/zinc/30/87/87/1168308787.db2.gz AVQQACXKZIVUOK-UHFFFAOYSA-N 0 1 230.267 2.464 20 0 BEADMN CC(C)CCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236982778 979801208 /nfs/dbraw/zinc/80/12/08/979801208.db2.gz RMNPZFMSIZYQDP-JTQLQIEISA-N 0 1 238.297 2.259 20 0 BEADMN S=C1C=COC1CN1CCCCC12COC2 ZINC001237190316 979841799 /nfs/dbraw/zinc/84/17/99/979841799.db2.gz HVZLDTDSYFMILQ-UHFFFAOYSA-N 0 1 239.340 2.323 20 0 BEADMN CCCn1cc(-c2nccc3c2CCN3)cn1 ZINC001240129776 1168356070 /nfs/dbraw/zinc/35/60/70/1168356070.db2.gz CNXJEKSLWAPQOH-UHFFFAOYSA-N 0 1 228.299 2.323 20 0 BEADMN CCC[N@@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)C1CC1 ZINC001605317460 979854447 /nfs/dbraw/zinc/85/44/47/979854447.db2.gz LOSDTXKPBPHYDZ-UHFFFAOYSA-N 0 1 236.315 2.396 20 0 BEADMN CC[N@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)CC(C)C ZINC001605455916 979876749 /nfs/dbraw/zinc/87/67/49/979876749.db2.gz LXJATBDYWQREBW-UHFFFAOYSA-N 0 1 238.331 2.499 20 0 BEADMN CCCCC1(NC(=O)c2ccc(CN)o2)CC1 ZINC001343036137 979985343 /nfs/dbraw/zinc/98/53/43/979985343.db2.gz AMJLKEHLTYAGFC-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN C[C@@H]1CN(CC=C(Cl)Cl)C[C@@H](C)C1O ZINC000697233223 1168401200 /nfs/dbraw/zinc/40/12/00/1168401200.db2.gz QKEFGSVDHIESBX-HTQZYQBOSA-N 0 1 238.158 2.254 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1C[C@H]1C(C)C ZINC001343307758 980065480 /nfs/dbraw/zinc/06/54/80/980065480.db2.gz HNSFXKWVPWYDCR-ZJUUUORDSA-N 0 1 222.288 2.167 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCCOC2)ccc1F ZINC001237822088 980073447 /nfs/dbraw/zinc/07/34/47/980073447.db2.gz HXBFYZVZCILYAQ-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN COC[C@H]1CCCCN1Cc1occc1OC ZINC001237870594 980106903 /nfs/dbraw/zinc/10/69/03/980106903.db2.gz YBOARYCDDULNBQ-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CCC1(C)CC1 ZINC001343466879 980118004 /nfs/dbraw/zinc/11/80/04/980118004.db2.gz JAOABMIJUABROB-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CCC2CC2)n[nH]1 ZINC001344221645 980357246 /nfs/dbraw/zinc/35/72/46/980357246.db2.gz IYDWOOQNRMYGNM-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN CCN(CC)c1cc(C2=CCN(C)CC2)ncn1 ZINC001241311102 1168466327 /nfs/dbraw/zinc/46/63/27/1168466327.db2.gz PRKUZZCAHGGMIL-UHFFFAOYSA-N 0 1 246.358 2.042 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)OCCC(C)C ZINC001239336281 980543693 /nfs/dbraw/zinc/54/36/93/980543693.db2.gz CGTOKBMDIZXQSQ-GFCCVEGCSA-N 0 1 242.363 2.243 20 0 BEADMN CN[C@H]1CCN1c1cc(Cl)nc2ncccc12 ZINC001156645715 1168505403 /nfs/dbraw/zinc/50/54/03/1168505403.db2.gz BGYKKOCUDCAKPC-LLVKDONJSA-N 0 1 248.717 2.039 20 0 BEADMN CS[C@@H]1CC[C@@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC001346231615 980792642 /nfs/dbraw/zinc/79/26/42/980792642.db2.gz DRDDFERCGPKSBA-NXEZZACHSA-N 0 1 243.372 2.067 20 0 BEADMN Cc1nc(C2=CCCC2)nc2nc[nH]c21 ZINC001239785011 980916227 /nfs/dbraw/zinc/91/62/27/980916227.db2.gz CPTPETIXMQLBNY-UHFFFAOYSA-N 0 1 200.245 2.180 20 0 BEADMN c1cc2c(s1)CCCN(CC1=NOCC1)C2 ZINC001190895779 980943934 /nfs/dbraw/zinc/94/39/34/980943934.db2.gz VVXRPQYTUVOFFJ-UHFFFAOYSA-N 0 1 236.340 2.273 20 0 BEADMN CC1(C)CCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC000816513225 1168604762 /nfs/dbraw/zinc/60/47/62/1168604762.db2.gz KGZAQBUHHWQKCV-UHFFFAOYSA-N 0 1 246.310 2.002 20 0 BEADMN Cc1ccsc1CCNc1ccnc(N)n1 ZINC001348073135 981271411 /nfs/dbraw/zinc/27/14/11/981271411.db2.gz IROGQBXSQAVDCG-UHFFFAOYSA-N 0 1 234.328 2.083 20 0 BEADMN CC(C)OC(=O)N1CCN(C)CC12CCCC2 ZINC001193485763 981347820 /nfs/dbraw/zinc/34/78/20/981347820.db2.gz IRSZZZNQZXKFFQ-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN CC(C)CN(CN1CC2(CC2)CC1=O)C1CC1 ZINC001348469932 981369217 /nfs/dbraw/zinc/36/92/17/981369217.db2.gz JFVGAZBHKILIJD-UHFFFAOYSA-N 0 1 236.359 2.077 20 0 BEADMN Fc1cnc(Cl)cc1Nc1ncc[nH]1 ZINC001176079973 1168702847 /nfs/dbraw/zinc/70/28/47/1168702847.db2.gz NWGCZGMGQKNFJT-UHFFFAOYSA-N 0 1 212.615 2.341 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)OCC(C)(C)C ZINC001194364327 981745296 /nfs/dbraw/zinc/74/52/96/981745296.db2.gz QQJNPKZVTHAAHV-WDEREUQCSA-N 0 1 242.363 2.194 20 0 BEADMN CN(c1ncc[nH]1)c1cc(Cl)ccc1N ZINC001176083826 1168703920 /nfs/dbraw/zinc/70/39/20/1168703920.db2.gz FPGWPMCRDHTXLP-UHFFFAOYSA-N 0 1 222.679 2.413 20 0 BEADMN Cn1ccc(CNCCCNc2ccccc2)n1 ZINC001177900048 1168716378 /nfs/dbraw/zinc/71/63/78/1168716378.db2.gz UMXQSQUHMWVECP-UHFFFAOYSA-N 0 1 244.342 2.012 20 0 BEADMN C=Cc1ccc2cc(C(=O)OCC)[nH]c2n1 ZINC001240827780 981867209 /nfs/dbraw/zinc/86/72/09/981867209.db2.gz DANDAHBQWFRGHI-UHFFFAOYSA-N 0 1 216.240 2.383 20 0 BEADMN CC(Cl)=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001350579898 982007031 /nfs/dbraw/zinc/00/70/31/982007031.db2.gz SOQWNWWNCBNDMH-GQCTYLIASA-N 0 1 228.683 2.009 20 0 BEADMN C/C(Cl)=C\C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001350579898 982007044 /nfs/dbraw/zinc/00/70/44/982007044.db2.gz SOQWNWWNCBNDMH-GQCTYLIASA-N 0 1 228.683 2.009 20 0 BEADMN Cc1nc2ccc(Cc3ncccn3)cc2[nH]1 ZINC001250344374 1168774095 /nfs/dbraw/zinc/77/40/95/1168774095.db2.gz HGWKGOOJDJVNGH-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594881079 982233935 /nfs/dbraw/zinc/23/39/35/982233935.db2.gz MGYMNVLOPCRLMT-WRWGMCAJSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCOC(C)(C)C)C1CC1 ZINC001588592905 982332826 /nfs/dbraw/zinc/33/28/26/982332826.db2.gz PGVCLBCWFNSWGG-JTQLQIEISA-N 0 1 243.347 2.129 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccn1C(F)F)C(=O)[O-] ZINC001589034015 982586833 /nfs/dbraw/zinc/58/68/33/982586833.db2.gz IMDHCJGBSBVWES-MRVPVSSYSA-N 0 1 246.257 2.036 20 0 BEADMN Fc1ccc2c(c1)CN(C[C@H]1CCOC1)C2 ZINC001202503485 1168879144 /nfs/dbraw/zinc/87/91/44/1168879144.db2.gz NLKMRRJGWQAPKZ-SNVBAGLBSA-N 0 1 221.275 2.178 20 0 BEADMN C[C@@H](CNC(=O)CN(C)C1CCC1)C(C)(C)C ZINC000863877033 1168890754 /nfs/dbraw/zinc/89/07/54/1168890754.db2.gz PYEJAZVTRGFBFQ-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1c(C)nsc1C ZINC001589440832 982785223 /nfs/dbraw/zinc/78/52/23/982785223.db2.gz BHHBKFJUOXUSCB-JTQLQIEISA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C)nsc1C ZINC001589440832 982785229 /nfs/dbraw/zinc/78/52/29/982785229.db2.gz BHHBKFJUOXUSCB-JTQLQIEISA-N 0 1 242.344 2.055 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccn1C1CC1 ZINC001589669719 982864352 /nfs/dbraw/zinc/86/43/52/982864352.db2.gz XHIQCLFPNZKGMM-UHFFFAOYSA-N 0 1 236.315 2.120 20 0 BEADMN COc1cccc(C#N)c1O[C@@H]1CCCN(C)C1 ZINC000258326088 1168954921 /nfs/dbraw/zinc/95/49/21/1168954921.db2.gz LOTDDNMQUDJZHK-GFCCVEGCSA-N 0 1 246.310 2.040 20 0 BEADMN CCN1C[C@@H](C)N(CC2CCCCC2)CC1=O ZINC001201401645 983204171 /nfs/dbraw/zinc/20/41/71/983204171.db2.gz OPGBBZKOLLMJMS-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1(C)CC1 ZINC001592950589 983223519 /nfs/dbraw/zinc/22/35/19/983223519.db2.gz IWISFEIZEBDQMD-DJLDLDEBSA-N 0 1 247.285 2.073 20 0 BEADMN c1nc2ccc(C3=CCOCC3)cc2[nH]1 ZINC001242074401 983316097 /nfs/dbraw/zinc/31/60/97/983316097.db2.gz BKRXNOXRQMBRLI-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN CCCCCCN1CC(=O)NC2(CCCC2)C1 ZINC001201757007 983460095 /nfs/dbraw/zinc/46/00/95/983460095.db2.gz RMQJKXFPEKQAPW-UHFFFAOYSA-N 0 1 238.375 2.311 20 0 BEADMN CCCn1cncc1CNC(C)(C)CF ZINC001202066295 983547211 /nfs/dbraw/zinc/54/72/11/983547211.db2.gz SUNPWNFDISQLPS-UHFFFAOYSA-N 0 1 213.300 2.131 20 0 BEADMN Cc1csc(CN2C[C@H](CO)C[C@H](F)C2)c1 ZINC001137153534 983988764 /nfs/dbraw/zinc/98/87/64/983988764.db2.gz YJULXJXKRVIVHI-MNOVXSKESA-N 0 1 243.347 2.209 20 0 BEADMN C[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]1C ZINC000752088117 1169272250 /nfs/dbraw/zinc/27/22/50/1169272250.db2.gz JPRPPHSFFIPVDQ-OLZOCXBDSA-N 0 1 247.338 2.460 20 0 BEADMN C[C@H]1CCN(CC(=O)OCc2ccccc2)[C@H]1C ZINC000752088124 1169272317 /nfs/dbraw/zinc/27/23/17/1169272317.db2.gz JPRPPHSFFIPVDQ-STQMWFEESA-N 0 1 247.338 2.460 20 0 BEADMN CO[C@@H](CSc1nnc(C)[nH]1)CC(C)C ZINC001331451699 974726307 /nfs/dbraw/zinc/72/63/07/974726307.db2.gz FEEISJFWOAFHNL-SECBINFHSA-N 0 1 229.349 2.266 20 0 BEADMN CC(=O)[C@@H]1CN([C@@H]2CC[C@H](C)[C@H](C)C2)CCO1 ZINC001172384143 974727582 /nfs/dbraw/zinc/72/75/82/974727582.db2.gz UJWCOHHUKZKXRG-UNJBNNCHSA-N 0 1 239.359 2.101 20 0 BEADMN CC(C(=O)Nc1nc(C(C)C)n[nH]1)=C1CCC1 ZINC001117748241 1169306727 /nfs/dbraw/zinc/30/67/27/1169306727.db2.gz SVDVLINBIYWSAB-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CC(C(=O)Nc1n[nH]c(C(C)C)n1)=C1CCC1 ZINC001117748241 1169306735 /nfs/dbraw/zinc/30/67/35/1169306735.db2.gz SVDVLINBIYWSAB-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CCN(Cc1cnc(OC)c(F)c1)C1CC1 ZINC001144451039 972828160 /nfs/dbraw/zinc/82/81/60/972828160.db2.gz NAPAGQOMQOXYAS-UHFFFAOYSA-N 0 1 224.279 2.214 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664392 972923725 /nfs/dbraw/zinc/92/37/25/972923725.db2.gz GLGGDELJXFVSOH-SSDOTTSWSA-N 0 1 211.286 2.041 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC2(CC2)C1 ZINC001144671211 972925425 /nfs/dbraw/zinc/92/54/25/972925425.db2.gz RBFIWSJUQBZZGM-UHFFFAOYSA-N 0 1 237.324 2.432 20 0 BEADMN Cc1cccc2nc(C(=O)Nc3ccc[nH]3)[nH]c21 ZINC001151984908 1169412147 /nfs/dbraw/zinc/41/21/47/1169412147.db2.gz OUPRAKFRKCFXLI-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cc1nnc(CN)n1[C@H](C)CCC(C)C ZINC001256367132 970774140 /nfs/dbraw/zinc/77/41/40/970774140.db2.gz YBNLGLCATDYJTQ-SECBINFHSA-N 0 1 210.325 2.042 20 0 BEADMN Fc1cc(Nc2ncccn2)cc2[nH]ncc21 ZINC001215552570 970790192 /nfs/dbraw/zinc/79/01/92/970790192.db2.gz SKUUYCNRWSSYFJ-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCC(=O)[C@@H](C)CC1 ZINC001256409111 970815871 /nfs/dbraw/zinc/81/58/71/970815871.db2.gz BAVFNQCWMZIZPV-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001256414364 970824129 /nfs/dbraw/zinc/82/41/29/970824129.db2.gz LRTADPUOPUASGY-UVLXDEKHSA-N 0 1 234.318 2.302 20 0 BEADMN Cc1ccc(Nc2cn(C)cn2)c2cn[nH]c21 ZINC001215753996 970826341 /nfs/dbraw/zinc/82/63/41/970826341.db2.gz JYKFYNKEIUKMDS-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC(C)Cc1nnc(-c2n[nH]c3cccnc32)o1 ZINC001256421807 970826327 /nfs/dbraw/zinc/82/63/27/970826327.db2.gz ZXKBKJDOSSWJBQ-UHFFFAOYSA-N 0 1 243.270 2.206 20 0 BEADMN Cc1ccc(Nc2cccnn2)c2cn[nH]c21 ZINC001215754636 970830463 /nfs/dbraw/zinc/83/04/63/970830463.db2.gz ZXOBSRKFVHUDFW-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCOC[C@@H]1C1CC1 ZINC001256427629 970834121 /nfs/dbraw/zinc/83/41/21/970834121.db2.gz XNZSSONYLOYWQJ-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN CCOCc1cncc(Nc2ccncc2)c1 ZINC001215786195 970841089 /nfs/dbraw/zinc/84/10/89/970841089.db2.gz ZZXDBEPNYXBPKH-UHFFFAOYSA-N 0 1 229.283 2.179 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1O ZINC001129542299 970854916 /nfs/dbraw/zinc/85/49/16/970854916.db2.gz SKLWQFWNVVKWIQ-GXSJLCMTSA-N 0 1 237.274 2.306 20 0 BEADMN CSc1c(F)cc(-n2cncc2N)cc1F ZINC001215922565 970876346 /nfs/dbraw/zinc/87/63/46/970876346.db2.gz LPGRCNZOAILNHM-UHFFFAOYSA-N 0 1 241.266 2.455 20 0 BEADMN COc1c(C)cc(C)cc1-n1cncc1N ZINC001215996031 970891257 /nfs/dbraw/zinc/89/12/57/970891257.db2.gz CQAKAOLLIZOSNK-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN Cc1ncn(-c2cc(C(C)C)ccc2N)c1N ZINC001216020551 970905322 /nfs/dbraw/zinc/90/53/22/970905322.db2.gz KAXRQACEJWXDFC-UHFFFAOYSA-N 0 1 230.315 2.469 20 0 BEADMN CCC[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC000403315288 970907169 /nfs/dbraw/zinc/90/71/69/970907169.db2.gz DCEYHDHGWBJFLN-UHFFFAOYSA-N 0 1 226.103 2.102 20 0 BEADMN CSc1ncc(-n2cncc2N)cc1Cl ZINC001216026884 970907422 /nfs/dbraw/zinc/90/74/22/970907422.db2.gz XCUJGDZUMPRNAR-UHFFFAOYSA-N 0 1 240.719 2.225 20 0 BEADMN CCc1n[nH]cc1-c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001256707874 970931564 /nfs/dbraw/zinc/93/15/64/970931564.db2.gz CIZNZOMSKMBQOQ-NKWVEPMBSA-N 0 1 218.260 2.146 20 0 BEADMN CCc1cc(Nc2ccncc2)ccc1CO ZINC001216101376 970937100 /nfs/dbraw/zinc/93/71/00/970937100.db2.gz KODFAYGHJJQHOK-UHFFFAOYSA-N 0 1 228.295 2.302 20 0 BEADMN CN(Cc1ccc2[nH]ccc2c1)C1(C)COC1 ZINC001205599150 1169485756 /nfs/dbraw/zinc/48/57/56/1169485756.db2.gz MMIFYETWXFYYNP-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCn2cccc2C1 ZINC001256741503 970974246 /nfs/dbraw/zinc/97/42/46/970974246.db2.gz IRGGTUODCVDMIF-CYBMUJFWSA-N 0 1 241.338 2.330 20 0 BEADMN CCOc1ccc(C)c(-n2cnc(C)c2N)c1 ZINC001216236359 970997554 /nfs/dbraw/zinc/99/75/54/970997554.db2.gz OQWNEMFGWAYHOW-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN CC(=O)CN(C)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256809372 970992726 /nfs/dbraw/zinc/99/27/26/970992726.db2.gz ZDKJPIWPBJXBQX-LSDHHAIUSA-N 0 1 247.338 2.428 20 0 BEADMN CCC1CCC(N2CC3(C2)CS(=O)C3)CC1 ZINC001256871241 971006050 /nfs/dbraw/zinc/00/60/50/971006050.db2.gz KSOXPLXCWZVWLM-UHFFFAOYSA-N 0 1 241.400 2.020 20 0 BEADMN C[C@@H]1CCN(CC=C(Cl)Cl)[C@@H]1CO ZINC000403664895 971009900 /nfs/dbraw/zinc/00/99/00/971009900.db2.gz UBBPTTRYLYRATF-HTQZYQBOSA-N 0 1 224.131 2.008 20 0 BEADMN OCC[C@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000403679422 971011761 /nfs/dbraw/zinc/01/17/61/971011761.db2.gz WFOOWVYHZWVEOK-SECBINFHSA-N 0 1 238.158 2.400 20 0 BEADMN CN(CC=C(Cl)Cl)CCCCCO ZINC000403688733 971014198 /nfs/dbraw/zinc/01/41/98/971014198.db2.gz XWILSUZTFVTZNG-UHFFFAOYSA-N 0 1 226.147 2.400 20 0 BEADMN Cc1nc2ccc(-c3cccc(=O)n3C)cc2[nH]1 ZINC001243966070 971059686 /nfs/dbraw/zinc/05/96/86/971059686.db2.gz CEFNBKBCQZLZLH-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN COc1cc(Nc2nccn2C)c(Cl)cn1 ZINC001216385692 971071583 /nfs/dbraw/zinc/07/15/83/971071583.db2.gz SFOFXNFFQXKKEV-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@H](F)C2)C1 ZINC001257059732 971082012 /nfs/dbraw/zinc/08/20/12/971082012.db2.gz MKXZFVRQBNTEEZ-WOPDTQHZSA-N 0 1 243.322 2.152 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cncs1 ZINC001209549327 1169513777 /nfs/dbraw/zinc/51/37/77/1169513777.db2.gz NXXWRBQKDGWJJV-OYNCUSHFSA-N 0 1 212.293 2.075 20 0 BEADMN CCc1coc(CNC2C[C@H](C)O[C@@H](C)C2)n1 ZINC001257071395 971086394 /nfs/dbraw/zinc/08/63/94/971086394.db2.gz YYDVKHVXCATSSX-UWVGGRQHSA-N 0 1 238.331 2.283 20 0 BEADMN CCCO[C@H]1CCN(Cc2cncs2)C1 ZINC001209549334 1169513873 /nfs/dbraw/zinc/51/38/73/1169513873.db2.gz ODXDQVKNKRPWOF-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN c1cnc(C2CC2)c(NC2=CCCOC2)n1 ZINC001216505058 971102895 /nfs/dbraw/zinc/10/28/95/971102895.db2.gz ZEEYXPHJEIWSGM-UHFFFAOYSA-N 0 1 217.272 2.070 20 0 BEADMN CCCCOC1CN(C2C[C@@H](C)O[C@H](C)C2)C1 ZINC001257096793 971111184 /nfs/dbraw/zinc/11/11/84/971111184.db2.gz JDNVZVRHGIKYRR-VXGBXAGGSA-N 0 1 241.375 2.443 20 0 BEADMN CCC[C@@H](CC)N[C@H]1CCSC1=O ZINC001257246178 971141273 /nfs/dbraw/zinc/14/12/73/971141273.db2.gz DEISDTSHODTGBM-BDAKNGLRSA-N 0 1 201.335 2.187 20 0 BEADMN C[N@@H+]1CCC12CN(CCCc1cccc(F)c1)C2 ZINC001276746493 971151174 /nfs/dbraw/zinc/15/11/74/971151174.db2.gz GKXAANLLTAOFDJ-UHFFFAOYSA-N 0 1 248.345 2.148 20 0 BEADMN CN1CCC12CN(CCCc1cccc(F)c1)C2 ZINC001276746493 971151189 /nfs/dbraw/zinc/15/11/89/971151189.db2.gz GKXAANLLTAOFDJ-UHFFFAOYSA-N 0 1 248.345 2.148 20 0 BEADMN CCC[C@H](CC)N(C)CC(=O)OCC ZINC001257258617 971157875 /nfs/dbraw/zinc/15/78/75/971157875.db2.gz DZQCRBSCNSLRKP-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCC[C@@H](CC)N1CCN(C(C)C)C(=O)C1 ZINC001257265227 971164291 /nfs/dbraw/zinc/16/42/91/971164291.db2.gz BSXARLRGFPCFKV-GFCCVEGCSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1cc(N)cc2c1ccn2-c1cncn1C ZINC001211251089 1169532600 /nfs/dbraw/zinc/53/26/00/1169532600.db2.gz RUALYMOUFRYKSE-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN COc1c(F)ccc(Nc2cncn2C)c1F ZINC001211250778 1169532763 /nfs/dbraw/zinc/53/27/63/1169532763.db2.gz PYVXWVZOUBNDQK-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000308039727 971185671 /nfs/dbraw/zinc/18/56/71/971185671.db2.gz NLTXDKXZQTXSAM-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN CCCCCC[C@H](CC)n1nnnc1CN ZINC001170579628 971250167 /nfs/dbraw/zinc/25/01/67/971250167.db2.gz VWHICEOYVUHUMQ-JTQLQIEISA-N 0 1 225.340 2.053 20 0 BEADMN CCCCCC[C@@H](C)N1CCO[C@H](CO)C1 ZINC001257362509 971278406 /nfs/dbraw/zinc/27/84/06/971278406.db2.gz CWSRERZWBBETAB-OLZOCXBDSA-N 0 1 229.364 2.038 20 0 BEADMN CCCCCC[C@@H](C)N1CC(=O)N[C@H](C)C1 ZINC001257362578 971280201 /nfs/dbraw/zinc/28/02/01/971280201.db2.gz DJFFMKPOGMTROT-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCCC[C@@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001257362575 971280529 /nfs/dbraw/zinc/28/05/29/971280529.db2.gz DJFFMKPOGMTROT-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@H](C)[C@@H]2C)o1 ZINC000405664363 971290221 /nfs/dbraw/zinc/29/02/21/971290221.db2.gz OOEHZDYJKGBNFK-JMJZKYOTSA-N 0 1 238.331 2.058 20 0 BEADMN CCCC[C@H](CC)N(C)CC(=O)OCC ZINC001257418755 971305131 /nfs/dbraw/zinc/30/51/31/971305131.db2.gz GLSJXJAAWNNMGR-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCC2CC2)[C@H]1C(=O)[O-] ZINC000405952752 971319542 /nfs/dbraw/zinc/31/95/42/971319542.db2.gz HKGSSVMXDZINEE-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN N[C@H](Cc1nnc(C2CCC2)o1)c1ccco1 ZINC001217693299 971327613 /nfs/dbraw/zinc/32/76/13/971327613.db2.gz TVNZJHCBZFAUKE-SECBINFHSA-N 0 1 233.271 2.173 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccc(N(C)C)cc2)o1 ZINC001217694798 971328558 /nfs/dbraw/zinc/32/85/58/971328558.db2.gz KSGQJEDVJQMJCH-VIFPVBQESA-N 0 1 246.314 2.083 20 0 BEADMN CC(C)Cc1nnc([C@@H]2CC[C@H](C)CN2)o1 ZINC001217702463 971344721 /nfs/dbraw/zinc/34/47/21/971344721.db2.gz KQLVKWAJXNADOZ-UWVGGRQHSA-N 0 1 223.320 2.329 20 0 BEADMN CCCc1nnc([C@H]2CC[C@H](C)CN2)o1 ZINC001217702451 971344916 /nfs/dbraw/zinc/34/49/16/971344916.db2.gz KQJMECVGBBDENU-DTWKUNHWSA-N 0 1 209.293 2.083 20 0 BEADMN CCCN(CCCC1CC1)CC(=O)OC ZINC000406049337 971348618 /nfs/dbraw/zinc/34/86/18/971348618.db2.gz GCATYKSKLJHKMG-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3CCN3)o2)cc1 ZINC001217719204 971359777 /nfs/dbraw/zinc/35/97/77/971359777.db2.gz XLJIRKRVNXRNSL-SDDRHHMPSA-N 0 1 241.294 2.375 20 0 BEADMN Cc1ncc2n1CCN(C1CCCCC1)C2 ZINC001257455575 971378381 /nfs/dbraw/zinc/37/83/81/971378381.db2.gz IVXRXKPOFVJNGH-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN FC1(F)CCN(C2CN(C3CCCCC3)C2)C1 ZINC001257459478 971384301 /nfs/dbraw/zinc/38/43/01/971384301.db2.gz VIHOAMLXIIQJHN-UHFFFAOYSA-N 0 1 244.329 2.344 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000328431617 971473585 /nfs/dbraw/zinc/47/35/85/971473585.db2.gz VSAJVHCUKCASOS-ZETCQYMHSA-N 0 1 240.328 2.072 20 0 BEADMN COC1CN(C2CCC(OC(C)C)CC2)C1 ZINC001257878620 971516417 /nfs/dbraw/zinc/51/64/17/971516417.db2.gz ZSTYRIZTAFVBMG-UHFFFAOYSA-N 0 1 227.348 2.053 20 0 BEADMN CC(C)OC1CCC(N2CCC23COC3)CC1 ZINC001257882254 971516582 /nfs/dbraw/zinc/51/65/82/971516582.db2.gz GACJPJDQMJYBIL-UHFFFAOYSA-N 0 1 239.359 2.197 20 0 BEADMN CC[C@@H]([NH2+][C@H](CC)c1nccs1)C(=O)[O-] ZINC000082759011 949027359 /nfs/dbraw/zinc/02/73/59/949027359.db2.gz UVDGOVFAQFVXFK-HTQZYQBOSA-N 0 1 228.317 2.047 20 0 BEADMN C[C@H](Cc1cccs1)[N@@H+](C)CCC(=O)[O-] ZINC000086441071 949061053 /nfs/dbraw/zinc/06/10/53/949061053.db2.gz UMSSAAPXXNYWLV-SECBINFHSA-N 0 1 227.329 2.086 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCc2cc(Cl)ccc21 ZINC000127940578 949274556 /nfs/dbraw/zinc/27/45/56/949274556.db2.gz AJDCJMYSWITRKT-NSHDSACASA-N 0 1 239.702 2.344 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C/C(Cl)=C\Cl ZINC000211343214 949531993 /nfs/dbraw/zinc/53/19/93/949531993.db2.gz ZPVOUTSEFYDNTC-PTYLAXBQSA-N 0 1 226.103 2.100 20 0 BEADMN CC(C)C[C@@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226973220 1169616109 /nfs/dbraw/zinc/61/61/09/1169616109.db2.gz FQXHYRSTXVWALP-SECBINFHSA-N 0 1 247.298 2.132 20 0 BEADMN Oc1ccc(Cl)cc1-c1cn2ncnc2cn1 ZINC001245049978 971608145 /nfs/dbraw/zinc/60/81/45/971608145.db2.gz ABNBIMZLCLIACU-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN [O-]c1cc(O[C@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC001218181421 971618293 /nfs/dbraw/zinc/61/82/93/971618293.db2.gz LPJVQPOOCCSKPI-LURJTMIESA-N 0 1 248.109 2.440 20 0 BEADMN C[C@H](Nc1cccc(=O)n1C)c1cccc(N)c1 ZINC001170733436 971673179 /nfs/dbraw/zinc/67/31/79/971673179.db2.gz NRIUMSHCEYQQRT-JTQLQIEISA-N 0 1 243.310 2.141 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N3Cc4cncnc4C3)C[C@@H]21 ZINC001170737908 971681944 /nfs/dbraw/zinc/68/19/44/971681944.db2.gz CZHZHRDGIXFUNR-ZSBIGDGJSA-N 0 1 229.327 2.227 20 0 BEADMN CCC(=O)c1ccc([O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218283732 971677136 /nfs/dbraw/zinc/67/71/36/971677136.db2.gz LWWPVQDDQNCFTC-NSHDSACASA-N 0 1 249.310 2.116 20 0 BEADMN C[C@H]1C[C@H](Oc2n[nH]c3c2CNCC3)C[C@@H](C)C1 ZINC001218286990 971682218 /nfs/dbraw/zinc/68/22/18/971682218.db2.gz PJFMPKGNILASPZ-URLYPYJESA-N 0 1 249.358 2.259 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000380452807 971699967 /nfs/dbraw/zinc/69/99/67/971699967.db2.gz MHXYAKPJFYJESC-BSKOKIOFSA-N 0 1 211.305 2.138 20 0 BEADMN COC1(C[N@@H+](C)CCCC(=O)[O-])CCCCC1 ZINC000319744760 950968331 /nfs/dbraw/zinc/96/83/31/950968331.db2.gz WOEYFALCERAVIB-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)SCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000380854284 971721696 /nfs/dbraw/zinc/72/16/96/971721696.db2.gz BSNPEXGJSWYURG-LLVKDONJSA-N 0 1 245.388 2.457 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000380093957 951181241 /nfs/dbraw/zinc/18/12/41/951181241.db2.gz JSGSIHDXPILNRN-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CCC=CNc1ncc(OC)c(NC2CC2)n1 ZINC001170764235 971751054 /nfs/dbraw/zinc/75/10/54/971751054.db2.gz SUXCPHYWEOIAIT-QPJJXVBHSA-N 0 1 234.303 2.395 20 0 BEADMN Cc1ccncc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397499130 951565845 /nfs/dbraw/zinc/56/58/45/951565845.db2.gz QBQPAGRLLMDQDS-RYUDHWBXSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCCCF)C1 ZINC000398652463 951595583 /nfs/dbraw/zinc/59/55/83/951595583.db2.gz BLULQNGHCRFHRH-QWRGUYRKSA-N 0 1 231.311 2.169 20 0 BEADMN CCC=CNc1cc(CN(C)CCOC)ccn1 ZINC001170768034 971760984 /nfs/dbraw/zinc/76/09/84/971760984.db2.gz VSEBQUNIHUCXRL-FNORWQNLSA-N 0 1 249.358 2.495 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000399101234 951634947 /nfs/dbraw/zinc/63/49/47/951634947.db2.gz UQKFRSOULHJTOL-BJDJZHNGSA-N 0 1 227.348 2.464 20 0 BEADMN CC1=CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000382471060 971815035 /nfs/dbraw/zinc/81/50/35/971815035.db2.gz BKUZVTRRASYFNL-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)NCc1cocn1 ZINC001172323821 974532778 /nfs/dbraw/zinc/53/27/78/974532778.db2.gz DVVXFBZZCGAERK-WDEREUQCSA-N 0 1 226.320 2.358 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccccc1F ZINC001135395972 971881678 /nfs/dbraw/zinc/88/16/78/971881678.db2.gz HNTZGBKNDHJMRB-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN Cc1ccc(CN(C)[C@H]2COC(C)(C)C2)cn1 ZINC001172294194 974560157 /nfs/dbraw/zinc/56/01/57/974560157.db2.gz WFILOXBFHPBEAU-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cc2nccn2cc1N[C@@H]1CCOC[C@@H]1C ZINC001170821915 971909640 /nfs/dbraw/zinc/90/96/40/971909640.db2.gz YZOJHQJOQVVFTO-NWDGAFQWSA-N 0 1 245.326 2.480 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403791531 953370129 /nfs/dbraw/zinc/37/01/29/953370129.db2.gz DYQLYDWQXWRBBA-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1nc2cncc(N[C@H]3CCOC[C@@H]3C)c2[nH]1 ZINC001170826773 971934409 /nfs/dbraw/zinc/93/44/09/971934409.db2.gz XTNDEAHTSAWHLR-WPRPVWTQSA-N 0 1 246.314 2.103 20 0 BEADMN CCCCOC1CN([C@H]2CCCOCC2)C1 ZINC001170828274 971935885 /nfs/dbraw/zinc/93/58/85/971935885.db2.gz XWDYBUQUQPGAIJ-LBPRGKRZSA-N 0 1 227.348 2.056 20 0 BEADMN c1ccc(OC2CN([C@@H]3CCCOCC3)C2)cc1 ZINC001170828115 971937252 /nfs/dbraw/zinc/93/72/52/971937252.db2.gz TYUXZQILQNEMCC-CYBMUJFWSA-N 0 1 247.338 2.319 20 0 BEADMN CSc1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC001135607841 971938695 /nfs/dbraw/zinc/93/86/95/971938695.db2.gz UFOHBUHPIBYEDK-UHFFFAOYSA-N 0 1 247.323 2.313 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(C)c1F ZINC000384607103 971939016 /nfs/dbraw/zinc/93/90/16/971939016.db2.gz GSFQQVQRCFWSTP-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN O=C1Cc2cc(-c3c(O)cccc3F)ncc2N1 ZINC001245652263 971939541 /nfs/dbraw/zinc/93/95/41/971939541.db2.gz XCFRORRYOWNLMQ-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN CC[C@H](C)OCC[C@H](C)n1c(C)cnc1CN ZINC001172331917 974595310 /nfs/dbraw/zinc/59/53/10/974595310.db2.gz ZQMGFBHGTPDHLL-JQWIXIFHSA-N 0 1 239.363 2.416 20 0 BEADMN CN(CC(=O)c1ccccc1)[C@H]1CCCOCC1 ZINC001170834504 971953545 /nfs/dbraw/zinc/95/35/45/971953545.db2.gz MWZSAECIYNMVCO-AWEZNQCLSA-N 0 1 247.338 2.370 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1C[C@H](F)[C@@H](OC)C1 ZINC001172339558 974603693 /nfs/dbraw/zinc/60/36/93/974603693.db2.gz OYDNUMJWVVUMGW-RNJOBUHISA-N 0 1 247.354 2.249 20 0 BEADMN COc1cc2ccnc(N(C)C)c2cc1OC ZINC000310424048 971973010 /nfs/dbraw/zinc/97/30/10/971973010.db2.gz ZPHGBLZAILLLEY-UHFFFAOYSA-N 0 1 232.283 2.318 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000385195938 971985656 /nfs/dbraw/zinc/98/56/56/971985656.db2.gz OQFXHWOFJHDCIE-RNKPRXRFSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@](N)(CO)Nc1cc(C)c2ncccc2c1 ZINC001170861787 971988560 /nfs/dbraw/zinc/98/85/60/971988560.db2.gz DMYGCJFDIQYGHI-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[N@H+](C/C=C(\C)C(=O)[O-])CCC1CC1 ZINC000385231828 971988593 /nfs/dbraw/zinc/98/85/93/971988593.db2.gz RBEQOCNOECHEIH-UXBLZVDNSA-N 0 1 211.305 2.139 20 0 BEADMN CCCc1ccc(N[C@](N)(CC)CO)cc1 ZINC001170863581 971991832 /nfs/dbraw/zinc/99/18/32/971991832.db2.gz OXQOPUPARXCDQE-CYBMUJFWSA-N 0 1 222.332 2.108 20 0 BEADMN CC[C@](N)(CO)Nc1cc(C)c(C)c(C)c1 ZINC001170864358 971992083 /nfs/dbraw/zinc/99/20/83/971992083.db2.gz HLWKFBQDBDSAGT-CYBMUJFWSA-N 0 1 222.332 2.081 20 0 BEADMN CC[C@@](N)(CO)Nc1cc(C)cc(Cl)c1 ZINC001170864728 971995237 /nfs/dbraw/zinc/99/52/37/971995237.db2.gz WCXBLKHASHAFOA-NSHDSACASA-N 0 1 228.723 2.118 20 0 BEADMN CC[C@](N)(CO)Nc1ccccc1C(C)C ZINC001170863874 971997407 /nfs/dbraw/zinc/99/74/07/971997407.db2.gz GKCINMHFXFSFRL-CYBMUJFWSA-N 0 1 222.332 2.279 20 0 BEADMN CC[C@](N)(CO)Nc1c(C)ccc(Cl)c1C ZINC001170866441 972003059 /nfs/dbraw/zinc/00/30/59/972003059.db2.gz SSVVVHFSFGPDNY-GFCCVEGCSA-N 0 1 242.750 2.426 20 0 BEADMN CCC=CNc1[nH+]cnc2[n-]cc(C(=O)OC)c21 ZINC001159668437 972013897 /nfs/dbraw/zinc/01/38/97/972013897.db2.gz TYQCZUXHOGSOJH-SNAWJCMRSA-N 0 1 246.270 2.032 20 0 BEADMN Cc1c(Cl)cccc1-n1[nH]c(CO)cc1=O ZINC001245924891 972100297 /nfs/dbraw/zinc/10/02/97/972100297.db2.gz GMLLJCODMFVKLT-UHFFFAOYSA-N 0 1 238.674 2.032 20 0 BEADMN C[C@H](O)Cn1[nH]c(CCC2CCCC2)cc1=O ZINC001245932493 972103808 /nfs/dbraw/zinc/10/38/08/972103808.db2.gz QFWPQEDWVMBLOW-JTQLQIEISA-N 0 1 238.331 2.092 20 0 BEADMN O=c1cc(C2CCCCC2)[nH]n1CCCO ZINC001245935531 972104173 /nfs/dbraw/zinc/10/41/73/972104173.db2.gz GKAGSPCMDLFJAR-UHFFFAOYSA-N 0 1 224.304 2.019 20 0 BEADMN COCCN1N=C(c2ccccc2C)CC1=O ZINC001245935532 972104695 /nfs/dbraw/zinc/10/46/95/972104695.db2.gz GKBUOWFWLPUSNS-UHFFFAOYSA-N 0 1 232.283 2.211 20 0 BEADMN CCc1cccc(C2=CCCN(C)C2)n1 ZINC001241571231 1169728610 /nfs/dbraw/zinc/72/86/10/1169728610.db2.gz VUMRDRUMUAGYQC-UHFFFAOYSA-N 0 1 202.301 2.363 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1nccs1 ZINC000388562220 972177976 /nfs/dbraw/zinc/17/79/76/972177976.db2.gz LPJSJABSDGRVSK-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN COc1cccc(OC)c1C1=CCCN(C)C1 ZINC001241571392 1169731800 /nfs/dbraw/zinc/73/18/00/1169731800.db2.gz XVJVFLXJDJSQCC-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN NC1=CN([C@H]2CCc3cccc(F)c3C2)CC=C1 ZINC001170971041 972189336 /nfs/dbraw/zinc/18/93/36/972189336.db2.gz MXDVPPADGYKAGQ-ZDUSSCGKSA-N 0 1 244.313 2.355 20 0 BEADMN CCCNC(=O)c1cc(Cl)c(F)cc1O ZINC001220237690 972193952 /nfs/dbraw/zinc/19/39/52/972193952.db2.gz BXMAXOJBYYJPMR-UHFFFAOYSA-N 0 1 231.654 2.325 20 0 BEADMN CCCCNc1nc(C)cc(N(C)C)n1 ZINC000068124746 957033064 /nfs/dbraw/zinc/03/30/64/957033064.db2.gz GSNHMFOUFDJXDU-UHFFFAOYSA-N 0 1 208.309 2.063 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208162098 957047819 /nfs/dbraw/zinc/04/78/19/957047819.db2.gz PCOPPULYLZLEOM-QWHCGFSZSA-N 0 1 239.359 2.474 20 0 BEADMN Cc1cnc(F)c(Nc2ccncc2)c1 ZINC001211493968 957048364 /nfs/dbraw/zinc/04/83/64/957048364.db2.gz QZGCUFQFAGFTKM-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN COC(=O)[C@@H]1CCN1C[C@H]1CCC(C)=C[C@@H]1C ZINC001208164265 957051879 /nfs/dbraw/zinc/05/18/79/957051879.db2.gz ZMUYHJMIDJZPOE-XQQFMLRXSA-N 0 1 237.343 2.226 20 0 BEADMN Cn1nc(C(F)(F)F)cc1-c1cc(N)ccn1 ZINC000705288665 957074202 /nfs/dbraw/zinc/07/42/02/957074202.db2.gz ABOPWCLGVYTPBX-UHFFFAOYSA-N 0 1 242.204 2.083 20 0 BEADMN Cc1nc(N=C2CCN(C)CC2)sc1C ZINC001208717436 957134921 /nfs/dbraw/zinc/13/49/21/957134921.db2.gz DOFCLABVBHJHQG-UHFFFAOYSA-N 0 1 223.345 2.391 20 0 BEADMN Cn1cccc1CNCc1cccc2c1OCC2 ZINC000692966545 957159941 /nfs/dbraw/zinc/15/99/41/957159941.db2.gz OGRQPZGEFXGRSQ-UHFFFAOYSA-N 0 1 242.322 2.250 20 0 BEADMN CCC1CCN(C(=O)CCc2cc(C)[nH]n2)CC1 ZINC001136791943 972259783 /nfs/dbraw/zinc/25/97/83/972259783.db2.gz IMGUPTFWBLPQKC-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN COc1ccc2nc(-c3ccncn3)[nH]c2c1 ZINC000397035712 957425329 /nfs/dbraw/zinc/42/53/29/957425329.db2.gz FACXJVYWDSDUBU-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001209553865 957502565 /nfs/dbraw/zinc/50/25/65/957502565.db2.gz CVRIVMPCQZELJO-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN C[N@@H+](CCc1cccs1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693025250 957507345 /nfs/dbraw/zinc/50/73/45/957507345.db2.gz HBCUOOUIUNMDLC-AOOOYVTPSA-N 0 1 239.340 2.086 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)[nH]1 ZINC001209570530 957508912 /nfs/dbraw/zinc/50/89/12/957508912.db2.gz PMQHPXGULCRWQF-DLOVCJGASA-N 0 1 208.280 2.113 20 0 BEADMN Cc1ccc(N2CC[C@H]3OCC[C@@H]3C2)nc1C ZINC001167217403 957551370 /nfs/dbraw/zinc/55/13/70/957551370.db2.gz YJQJQOKSUVUGMV-CHWSQXEVSA-N 0 1 232.327 2.314 20 0 BEADMN Fc1cc(F)c(F)c(N=C2CCOC2)c1 ZINC001203391540 957552330 /nfs/dbraw/zinc/55/23/30/957552330.db2.gz XUZCSUZFIIIISQ-UHFFFAOYSA-N 0 1 215.174 2.430 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000060218847 957571007 /nfs/dbraw/zinc/57/10/07/957571007.db2.gz WOBNZQGNULTVNX-LBPRGKRZSA-N 0 1 219.284 2.298 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cnc(N)cc2C)on1 ZINC001209962231 957586804 /nfs/dbraw/zinc/58/68/04/957586804.db2.gz SXAHGXRHTDVOJH-SECBINFHSA-N 0 1 246.314 2.312 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(Cl)cn1 ZINC001209967260 957587597 /nfs/dbraw/zinc/58/75/97/957587597.db2.gz JKRCWOBIULRAQN-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1cc(N)ncc1Nc1nc(Cl)ccc1N ZINC001209967493 957587806 /nfs/dbraw/zinc/58/78/06/957587806.db2.gz LDWYBZKXPDLDLH-UHFFFAOYSA-N 0 1 249.705 2.346 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(CO)c(F)c1 ZINC001209973021 957589839 /nfs/dbraw/zinc/58/98/39/957589839.db2.gz SUVZTXWPNNOFMW-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN Cc1cc(N)ncc1Nc1cncc(F)c1 ZINC001209967452 957591324 /nfs/dbraw/zinc/59/13/24/957591324.db2.gz KARHXBDJZHKOJW-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Fc1cc2[nH]cnc2cc1NCc1cncnc1 ZINC001167268520 957609625 /nfs/dbraw/zinc/60/96/25/957609625.db2.gz NHZXCXSEQOMEIO-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN Cc1cc(C)c(-c2noc(CNC(C)C)n2)cn1 ZINC000397408114 957623543 /nfs/dbraw/zinc/62/35/43/957623543.db2.gz POMRWAODUPKTRT-UHFFFAOYSA-N 0 1 246.314 2.246 20 0 BEADMN C[N@H+]1CC[C@H](Nc2ccc3oc(=S)[n-]c3c2)C1 ZINC001167278920 957626593 /nfs/dbraw/zinc/62/65/93/957626593.db2.gz YCBAVCSALHSOEF-VIFPVBQESA-N 0 1 249.339 2.233 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC001136866383 972280965 /nfs/dbraw/zinc/28/09/65/972280965.db2.gz UIYJSKUEVFOETK-LLVKDONJSA-N 0 1 211.284 2.124 20 0 BEADMN c1nc(C[N@@H+]2CCC23CCCCC3)c[nH]1 ZINC001136865858 972281838 /nfs/dbraw/zinc/28/18/38/972281838.db2.gz ARXQZGMLKMVMGY-UHFFFAOYSA-N 0 1 205.305 2.318 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1ccc(F)cc1 ZINC000071738254 957732498 /nfs/dbraw/zinc/73/24/98/957732498.db2.gz NSTXBMPEOKGTKA-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN Cc1ccnc(NCc2cccnn2)c1C ZINC001167321475 957749141 /nfs/dbraw/zinc/74/91/41/957749141.db2.gz PWKOTQPOBILLRV-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN COc1ncc(Cl)cc1Nc1nccn1C ZINC001210449575 957753346 /nfs/dbraw/zinc/75/33/46/957753346.db2.gz LBDWHBMEAHWJBW-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CC(C)n1nccc1Nc1ccncc1 ZINC001210510936 957774960 /nfs/dbraw/zinc/77/49/60/957774960.db2.gz BXMQEIGLUJCJMO-UHFFFAOYSA-N 0 1 202.261 2.025 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])CCC(F)(F)F ZINC000083889917 957840026 /nfs/dbraw/zinc/84/00/26/957840026.db2.gz VGLFRCACQOZQAE-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@H]1C(C)C ZINC000084126515 957857536 /nfs/dbraw/zinc/85/75/36/957857536.db2.gz DWSJMCAFPCQNNG-HUYFXPKMSA-N 0 1 211.305 2.138 20 0 BEADMN CC=C(C)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001210791704 957884671 /nfs/dbraw/zinc/88/46/71/957884671.db2.gz BRSGNATYUKHVTQ-UUILKARUSA-N 0 1 246.358 2.169 20 0 BEADMN CCC(C)=Nc1sc(C(=O)OC)cc1N ZINC001210792251 957887993 /nfs/dbraw/zinc/88/79/93/957887993.db2.gz JWOLXGKUGFLVGS-GQCTYLIASA-N 0 1 226.301 2.453 20 0 BEADMN C[C@@H](NC(=O)[C@](C)(N)c1ccccc1)C1(C)CC1 ZINC000706518365 957935768 /nfs/dbraw/zinc/93/57/68/957935768.db2.gz IQBXISGTWUQOPH-IAQYHMDHSA-N 0 1 246.354 2.165 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@H](C)C2(C)CC2)cc1 ZINC000706517774 957938247 /nfs/dbraw/zinc/93/82/47/957938247.db2.gz GBQXAPQGQSDHOW-DGCLKSJQSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000086658196 957974300 /nfs/dbraw/zinc/97/43/00/957974300.db2.gz QOOOTBCGQUITLF-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])cc1F ZINC000086762400 957984546 /nfs/dbraw/zinc/98/45/46/957984546.db2.gz JDSKYMZQQGTOOQ-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN Cc1ccc(C)c(N[C@@](C)(C(N)=O)C(C)C)n1 ZINC001167403956 958017786 /nfs/dbraw/zinc/01/77/86/958017786.db2.gz KQOIYHOEADXYMC-CYBMUJFWSA-N 0 1 235.331 2.010 20 0 BEADMN COc1ncc(CN2CCC(F)CC2)cc1C ZINC001137000004 972315852 /nfs/dbraw/zinc/31/58/52/972315852.db2.gz MBUITOFWYBMQSI-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN Cn1cncc1Nc1nc2c(s1)C(=O)CCC2 ZINC001211245015 958103637 /nfs/dbraw/zinc/10/36/37/958103637.db2.gz HXMHCQWFSJZNJT-UHFFFAOYSA-N 0 1 248.311 2.139 20 0 BEADMN Cc1cc(Nc2cncn2C)cnc1F ZINC001211245043 958104010 /nfs/dbraw/zinc/10/40/10/958104010.db2.gz IJMVPUAENDJELV-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN COc1ccc(Nc2cncn2C)c(Cl)n1 ZINC001211246968 958110789 /nfs/dbraw/zinc/11/07/89/958110789.db2.gz ZHCYFBLHAYAIBT-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1cc(=O)[nH]n1C1CCCC1 ZINC001211245862 958111390 /nfs/dbraw/zinc/11/13/90/958111390.db2.gz VMXCTKIFSRWDSN-UHFFFAOYSA-N 0 1 247.302 2.181 20 0 BEADMN Cn1cncc1Nc1cc(-c2ccncc2)no1 ZINC001211246833 958111434 /nfs/dbraw/zinc/11/14/34/958111434.db2.gz ULCUFZGRJXLFQD-UHFFFAOYSA-N 0 1 241.254 2.214 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)CCC(=O)N2 ZINC001211250037 958113095 /nfs/dbraw/zinc/11/30/95/958113095.db2.gz FJEDQSNHBFEOJI-UHFFFAOYSA-N 0 1 242.282 2.048 20 0 BEADMN Cn1cncc1Nc1cccc(C2CC2)n1 ZINC001211248069 958114330 /nfs/dbraw/zinc/11/43/30/958114330.db2.gz INSIURHUMFXSMT-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN COC(=O)c1ccc(F)cc1Nc1cncn1C ZINC001211250003 958114953 /nfs/dbraw/zinc/11/49/53/958114953.db2.gz CXCXIXREBLFXOI-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN Cn1cncc1Nc1ccc(Cl)c(CO)c1 ZINC001211251675 958119940 /nfs/dbraw/zinc/11/99/40/958119940.db2.gz LZRZWRVBPLHJJQ-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN COC(=O)c1cccc(Nc2cncn2C)c1F ZINC001211251923 958120995 /nfs/dbraw/zinc/12/09/95/958120995.db2.gz QKVVPDYLXAOKRJ-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN COc1cccc(C(C)=O)c1Nc1cncn1C ZINC001211251673 958121807 /nfs/dbraw/zinc/12/18/07/958121807.db2.gz LYCSZGQZWZGNMI-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN [NH3+]Cc1ccc(-c2cc(F)c([O-])cc2F)cn1 ZINC001211350926 958166724 /nfs/dbraw/zinc/16/67/24/958166724.db2.gz YXWHMFLRZLQXLM-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000723140664 958168979 /nfs/dbraw/zinc/16/89/79/958168979.db2.gz VCOJUHRYSWISMB-QNWJLWSRSA-N 0 1 237.343 2.218 20 0 BEADMN CC[C@H](NCc1c[nH]nn1)c1ccc(F)cc1 ZINC000398272421 958173934 /nfs/dbraw/zinc/17/39/34/958173934.db2.gz AMMQXTLZCHQFSR-LBPRGKRZSA-N 0 1 234.278 2.185 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000402224180 958192947 /nfs/dbraw/zinc/19/29/47/958192947.db2.gz URGAZGLCLFHGCU-VXGBXAGGSA-N 0 1 223.316 2.282 20 0 BEADMN F[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041235 972340037 /nfs/dbraw/zinc/34/00/37/972340037.db2.gz SHBVDBXBNXNFBP-AOOOYVTPSA-N 0 1 237.253 2.055 20 0 BEADMN c1nc2ccc(CN3CCCCO3)cc2[nH]1 ZINC001137041057 972340661 /nfs/dbraw/zinc/34/06/61/972340661.db2.gz HQCKZZYYJMRKPU-UHFFFAOYSA-N 0 1 217.272 2.090 20 0 BEADMN Cc1ncn(-c2ccc(Cl)c3n[nH]cc32)c1N ZINC001215941078 958387981 /nfs/dbraw/zinc/38/79/81/958387981.db2.gz HTSSNBSTBSUMDM-UHFFFAOYSA-N 0 1 247.689 2.293 20 0 BEADMN Cc1c(CN2CCCC[C@@](C)(F)C2)cnn1C ZINC001204569542 958425308 /nfs/dbraw/zinc/42/53/08/958425308.db2.gz JMYDDKODKUNIRH-CYBMUJFWSA-N 0 1 239.338 2.443 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCCC(F)(F)F ZINC000123723399 958506691 /nfs/dbraw/zinc/50/66/91/958506691.db2.gz QZMIBACZTWGVGM-MRVPVSSYSA-N 0 1 239.237 2.268 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC(F)(F)F ZINC000123733807 958507633 /nfs/dbraw/zinc/50/76/33/958507633.db2.gz NYUJBBIIQSXEPF-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1c(F)cc(F)cc1CN(C)[C@H]1CCOC1 ZINC001143764768 972358760 /nfs/dbraw/zinc/35/87/60/972358760.db2.gz ZJGXWKDPWAHZNC-LBPRGKRZSA-N 0 1 241.281 2.494 20 0 BEADMN Cc1ncn(C)c1Nc1cncc(F)c1C ZINC001216192375 958693267 /nfs/dbraw/zinc/69/32/67/958693267.db2.gz RTJGFTCVYLZQJH-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN CC[C@H](C)N(CC=C(Cl)Cl)CCO ZINC000403688897 958801886 /nfs/dbraw/zinc/80/18/86/958801886.db2.gz XZOGAPOKXFDUFC-QMMMGPOBSA-N 0 1 226.147 2.398 20 0 BEADMN c1nc2c(ncnc2NC[C@]23C[C@H]2CCCC3)[nH]1 ZINC000693586048 958888375 /nfs/dbraw/zinc/88/83/75/958888375.db2.gz MTCPHXIIKJIXHX-RNCFNFMXSA-N 0 1 243.314 2.297 20 0 BEADMN Cc1nc2ccc(F)cn2c1NC1=CCCOC1 ZINC001216507212 959008379 /nfs/dbraw/zinc/00/83/79/959008379.db2.gz GAPWHYPMQUXUKD-UHFFFAOYSA-N 0 1 247.273 2.498 20 0 BEADMN Cc1ccc(C)c(NCc2ccnc(N)c2)n1 ZINC001167614594 959067112 /nfs/dbraw/zinc/06/71/12/959067112.db2.gz TXPHAFIGAVLLQT-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN CCCOC1CN(C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207361238 959243904 /nfs/dbraw/zinc/24/39/04/959243904.db2.gz QMROAFYMINOLDZ-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2(C)CCC2)n[nH]1 ZINC001327129834 972429594 /nfs/dbraw/zinc/42/95/94/972429594.db2.gz PYMQMXZMAQQPPR-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN NC1(c2nnc(Cc3ccccc3)o2)CCCC1 ZINC001217695545 959556072 /nfs/dbraw/zinc/55/60/72/959556072.db2.gz UMOYSQYNVSKTLI-UHFFFAOYSA-N 0 1 243.310 2.388 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000211743632 959696265 /nfs/dbraw/zinc/69/62/65/959696265.db2.gz OCVRWAGDCHITBM-XTULLQBASA-N 0 1 217.696 2.068 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000211743729 959696666 /nfs/dbraw/zinc/69/66/66/959696666.db2.gz OCVRWAGDCHITBM-RNEXMXFGSA-N 0 1 217.696 2.068 20 0 BEADMN C[C@H]1CC[C@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000309172282 959699008 /nfs/dbraw/zinc/69/90/08/959699008.db2.gz AUOBOJWNAXAUND-NTSWFWBYSA-N 0 1 237.694 2.217 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@@H](C)CC1 ZINC000215681728 959758146 /nfs/dbraw/zinc/75/81/46/959758146.db2.gz LQTYLGRJFUQDPC-UBYNWHESSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@H](CSC)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000217367519 959776450 /nfs/dbraw/zinc/77/64/50/959776450.db2.gz NDUIDIVIHZRUNU-SECBINFHSA-N 0 1 240.328 2.333 20 0 BEADMN CCCN(CC(=O)OCC)CC(C)(C)C ZINC000092380567 959814580 /nfs/dbraw/zinc/81/45/80/959814580.db2.gz SQRMDPFPXINXGZ-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721607128 959824529 /nfs/dbraw/zinc/82/45/29/959824529.db2.gz YMLCGGFYDCGHEO-MFKMUULPSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721606495 959824595 /nfs/dbraw/zinc/82/45/95/959824595.db2.gz WRLYZMLBGOUOEB-AWEZNQCLSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000224991421 959858623 /nfs/dbraw/zinc/85/86/23/959858623.db2.gz RKLDUMPFRGJCBH-RAIGVLPGSA-N 0 1 233.311 2.400 20 0 BEADMN C/C=C/C=C/c1nc([C@H](N)C(C)C)no1 ZINC000393753040 959898969 /nfs/dbraw/zinc/89/89/69/959898969.db2.gz FSUAPPGTOOSNFX-ZVEBZHOTSA-N 0 1 207.277 2.315 20 0 BEADMN C[C@@H](C1CC1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227032416 959912674 /nfs/dbraw/zinc/91/26/74/959912674.db2.gz UVCXLBKDKWNGIO-HZMBPMFUSA-N 0 1 245.322 2.469 20 0 BEADMN CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227151800 959925013 /nfs/dbraw/zinc/92/50/13/959925013.db2.gz PJDVQGPROCTVPJ-HBNTYKKESA-N 0 1 213.321 2.075 20 0 BEADMN CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227151793 959925287 /nfs/dbraw/zinc/92/52/87/959925287.db2.gz PJDVQGPROCTVPJ-GMTAPVOTSA-N 0 1 213.321 2.075 20 0 BEADMN CCC[C@@](C)(CC)C(=O)OCc1nnc[nH]1 ZINC001327162075 972470825 /nfs/dbraw/zinc/47/08/25/972470825.db2.gz PAQKJQBJWFHOBB-LLVKDONJSA-N 0 1 225.292 2.064 20 0 BEADMN O=C1CCCc2cc(Nc3nnco3)ccc21 ZINC001213101383 960018395 /nfs/dbraw/zinc/01/83/95/960018395.db2.gz XCUZWISEBQWPKH-UHFFFAOYSA-N 0 1 229.239 2.332 20 0 BEADMN COc1cccc(CSCc2nnc[nH]2)c1 ZINC001327163592 972474703 /nfs/dbraw/zinc/47/47/03/972474703.db2.gz DQKFZCVNWPAJRB-UHFFFAOYSA-N 0 1 235.312 2.247 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1cnsn1 ZINC000695105089 960101279 /nfs/dbraw/zinc/10/12/79/960101279.db2.gz FUARWMXHBDZYCY-MRVPVSSYSA-N 0 1 213.350 2.452 20 0 BEADMN CC[N@@H+](CC1CCC1)CC1(CC(=O)[O-])CC1 ZINC000230337714 960144279 /nfs/dbraw/zinc/14/42/79/960144279.db2.gz MWJSLFDGCZYHNF-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cc(CC(=O)OCc2cccc(F)c2)n[nH]1 ZINC000756234174 960149704 /nfs/dbraw/zinc/14/97/04/960149704.db2.gz IBDHHSDVTYGOJC-UHFFFAOYSA-N 0 1 248.257 2.143 20 0 BEADMN CC(C)=CCN1CC(CNC(=O)C=C2CCC2)C1 ZINC001267678947 960200083 /nfs/dbraw/zinc/20/00/83/960200083.db2.gz URJFEPKQQIQYFL-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN Cc1ccncc1CN1CCc2cnccc2C1 ZINC001141031682 960219295 /nfs/dbraw/zinc/21/92/95/960219295.db2.gz WTWHTVXFADBZAS-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cc1nnsc1COc1cc(C)nc(C)c1 ZINC001327206226 972496324 /nfs/dbraw/zinc/49/63/24/972496324.db2.gz MEUFAWAKSGQRDT-UHFFFAOYSA-N 0 1 235.312 2.437 20 0 BEADMN CCCC(=O)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001144027616 972502119 /nfs/dbraw/zinc/50/21/19/972502119.db2.gz DGSCQNINKBLUJK-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccsc1 ZINC000235362731 960422340 /nfs/dbraw/zinc/42/23/40/960422340.db2.gz GVOXSWAQRPQZBC-MWLCHTKSSA-N 0 1 239.340 2.433 20 0 BEADMN c1cc(CN2CC(c3cccnc3)C2)c[nH]1 ZINC001140708849 960519836 /nfs/dbraw/zinc/51/98/36/960519836.db2.gz KULDNFWRUYUXLS-UHFFFAOYSA-N 0 1 213.284 2.009 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810291 960534565 /nfs/dbraw/zinc/53/45/65/960534565.db2.gz WHKXOFMZDUIABG-NWDGAFQWSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cc(F)ccc1CN1CC2(CC(O)C2)C1 ZINC001140777272 960563044 /nfs/dbraw/zinc/56/30/44/960563044.db2.gz JXFGYDBRZWZRHC-UHFFFAOYSA-N 0 1 235.302 2.091 20 0 BEADMN CCN(CC)Cc1c(OC)cc(O)cc1OC ZINC001140769513 960566224 /nfs/dbraw/zinc/56/62/24/960566224.db2.gz KGTOPNZCKMVTSQ-UHFFFAOYSA-N 0 1 239.315 2.251 20 0 BEADMN Cc1cc(CN(C)CCc2ccccc2)[nH]n1 ZINC001203068075 960602670 /nfs/dbraw/zinc/60/26/70/960602670.db2.gz YKQNYGCTYPCYGX-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN Cc1cc(CN2CCC(C(F)(F)F)CC2)n[nH]1 ZINC001203070269 960627004 /nfs/dbraw/zinc/62/70/04/960627004.db2.gz MZRCZZVCFMWFFC-UHFFFAOYSA-N 0 1 247.264 2.492 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](C)CC2)n[nH]1 ZINC001203070543 960627784 /nfs/dbraw/zinc/62/77/84/960627784.db2.gz YLXORTCFSJKQSA-JTQLQIEISA-N 0 1 207.321 2.340 20 0 BEADMN Cc1c[nH]c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1C ZINC001140858044 960632143 /nfs/dbraw/zinc/63/21/43/960632143.db2.gz FIFCZPWDADFVNL-OLZOCXBDSA-N 0 1 234.343 2.100 20 0 BEADMN Cc1cc(CN2CCc3ccsc3C2)n[nH]1 ZINC001203076588 960679306 /nfs/dbraw/zinc/67/93/06/960679306.db2.gz FRMAOZOMQXUSIU-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN COc1cccc(CN(C)Cc2cc(C)[nH]n2)c1 ZINC001203076017 960681585 /nfs/dbraw/zinc/68/15/85/960681585.db2.gz SPCWOAARJURJOW-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cc1nccnc1C[N@@H+](C)CCc1ccccc1 ZINC001140934914 960720260 /nfs/dbraw/zinc/72/02/60/960720260.db2.gz DFVIYALWKZXPMX-UHFFFAOYSA-N 0 1 241.338 2.460 20 0 BEADMN Cc1nccnc1CN1CCC[C@@H](C(F)F)C1 ZINC001140937896 960726669 /nfs/dbraw/zinc/72/66/69/960726669.db2.gz IRQPVYXDHNSNCQ-SNVBAGLBSA-N 0 1 241.285 2.262 20 0 BEADMN Cc1nccnc1CN1CCC[C@H](C(F)F)C1 ZINC001140937895 960729083 /nfs/dbraw/zinc/72/90/83/960729083.db2.gz IRQPVYXDHNSNCQ-JTQLQIEISA-N 0 1 241.285 2.262 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)C2(CC2)C1 ZINC001140947403 960742321 /nfs/dbraw/zinc/74/23/21/960742321.db2.gz LRFABJSLULYSHV-SECBINFHSA-N 0 1 235.283 2.352 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)C2(CC2)C1 ZINC001140947404 960745730 /nfs/dbraw/zinc/74/57/30/960745730.db2.gz LRFABJSLULYSHV-VIFPVBQESA-N 0 1 235.283 2.352 20 0 BEADMN Cc1cc(CN2CCn3cccc3[C@H]2C)n[nH]1 ZINC001203082435 960774306 /nfs/dbraw/zinc/77/43/06/960774306.db2.gz RBQYPLBHFJSVGP-LLVKDONJSA-N 0 1 230.315 2.096 20 0 BEADMN c1coc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC001141007517 960808448 /nfs/dbraw/zinc/80/84/48/960808448.db2.gz PSVWWFZGMDHYTQ-MNOVXSKESA-N 0 1 206.289 2.439 20 0 BEADMN c1coc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)n1 ZINC001141007517 960808446 /nfs/dbraw/zinc/80/84/46/960808446.db2.gz PSVWWFZGMDHYTQ-MNOVXSKESA-N 0 1 206.289 2.439 20 0 BEADMN c1coc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)n1 ZINC001141007518 960809339 /nfs/dbraw/zinc/80/93/39/960809339.db2.gz PSVWWFZGMDHYTQ-QWRGUYRKSA-N 0 1 206.289 2.439 20 0 BEADMN CC[N@@H+](Cc1c[nH]nc1C(F)(F)F)C1CC1 ZINC001141012337 960816594 /nfs/dbraw/zinc/81/65/94/960816594.db2.gz ZYLBVUPFYYDBIS-UHFFFAOYSA-N 0 1 233.237 2.413 20 0 BEADMN CCN(Cc1c[nH]nc1C(F)(F)F)C1CC1 ZINC001141012337 960816601 /nfs/dbraw/zinc/81/66/01/960816601.db2.gz ZYLBVUPFYYDBIS-UHFFFAOYSA-N 0 1 233.237 2.413 20 0 BEADMN CCC/C=C\C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341884568 960836601 /nfs/dbraw/zinc/83/66/01/960836601.db2.gz ABFCGWIVHWOVGC-PLNGDYQASA-N 0 1 245.282 2.357 20 0 BEADMN CCC/C=C\C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341884568 960836605 /nfs/dbraw/zinc/83/66/05/960836605.db2.gz ABFCGWIVHWOVGC-PLNGDYQASA-N 0 1 245.282 2.357 20 0 BEADMN CCCCc1ncc(CN(C)CC(F)F)[nH]1 ZINC001141074368 960858194 /nfs/dbraw/zinc/85/81/94/960858194.db2.gz GOHNIZXXIQLNSR-UHFFFAOYSA-N 0 1 231.290 2.449 20 0 BEADMN CCCCc1ncc(CN2CC3(C2)CCCO3)[nH]1 ZINC001141067881 960859412 /nfs/dbraw/zinc/85/94/12/960859412.db2.gz QNJHLOMDTJSDKG-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1ncc(CN(C)Cc2ccno2)[nH]1 ZINC001141074041 960861549 /nfs/dbraw/zinc/86/15/49/960861549.db2.gz UUNVTGIZRVGUPW-UHFFFAOYSA-N 0 1 248.330 2.372 20 0 BEADMN CCCCc1ncc(CN2CC[C@@]23CCOC3)[nH]1 ZINC001141073852 960862361 /nfs/dbraw/zinc/86/23/61/960862361.db2.gz MNQFPEZAOXSSPY-AWEZNQCLSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1ncc(CN2CCCC23COC3)[nH]1 ZINC001141072765 960862624 /nfs/dbraw/zinc/86/26/24/960862624.db2.gz YCIZSDMMSFRPGV-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1ncc(CN2CCC(=O)[C@@H](C)C2)[nH]1 ZINC001141068005 960863644 /nfs/dbraw/zinc/86/36/44/960863644.db2.gz VJWBXMIVJKNIRK-NSHDSACASA-N 0 1 249.358 2.163 20 0 BEADMN Cc1ccc([C@H]2CCCN2Cc2cn[nH]c2)cn1 ZINC001203096638 960872713 /nfs/dbraw/zinc/87/27/13/960872713.db2.gz FSPVQPTUURDLHC-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN COCC[C@H]1CCCCN1Cc1cocn1 ZINC001141129772 960875906 /nfs/dbraw/zinc/87/59/06/960875906.db2.gz KSQMZWZUCQLYIG-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN COc1cc(CN2CCCC2)cc(O)c1OC ZINC001141168386 960915214 /nfs/dbraw/zinc/91/52/14/960915214.db2.gz MKSVIVORRUDQDX-UHFFFAOYSA-N 0 1 237.299 2.005 20 0 BEADMN Cc1ccc(CN2CCN(C)[C@H](C)C2)c(F)c1 ZINC001141195723 960927823 /nfs/dbraw/zinc/92/78/23/960927823.db2.gz AKMFFGLVJJYPNW-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN CCCC[C@@H](CCC)OCc1nn[nH]n1 ZINC001223027037 960944753 /nfs/dbraw/zinc/94/47/53/960944753.db2.gz LRRKCMDNPDNZIW-SECBINFHSA-N 0 1 212.297 2.075 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)cc1O ZINC001211693105 961015572 /nfs/dbraw/zinc/01/55/72/961015572.db2.gz CLJVIBRSKBCUND-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN CN(C)c1cccc(CN2CC(C(F)F)C2)c1 ZINC001141272400 961032148 /nfs/dbraw/zinc/03/21/48/961032148.db2.gz LNSLZJWEAVWKOZ-UHFFFAOYSA-N 0 1 240.297 2.450 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3c(n2)COCC3)[C@@H]1C ZINC001141533548 961098301 /nfs/dbraw/zinc/09/83/01/961098301.db2.gz VHWGCGVKBDTQHN-VXGBXAGGSA-N 0 1 249.358 2.034 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000249846875 961205547 /nfs/dbraw/zinc/20/55/47/961205547.db2.gz WCDYDOQMPWEUJE-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN c1c(CN2CCCCC23CC3)nc2cnccn12 ZINC001139699037 961278999 /nfs/dbraw/zinc/27/89/99/961278999.db2.gz JKZFSHHFPYAADI-UHFFFAOYSA-N 0 1 242.326 2.248 20 0 BEADMN Cc1coc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000257696812 961343603 /nfs/dbraw/zinc/34/36/03/961343603.db2.gz WJAFAIDJMVPYKX-LBPRGKRZSA-N 0 1 237.299 2.417 20 0 BEADMN COC/C(C)=C/C(=O)Nc1ccc2nc[nH]c2c1 ZINC001142428270 961442066 /nfs/dbraw/zinc/44/20/66/961442066.db2.gz ITVOVSWOVISPBL-WEVVVXLNSA-N 0 1 245.282 2.094 20 0 BEADMN CCCN(CC)Cc1cnc(Cl)nc1NC ZINC001142473547 961451834 /nfs/dbraw/zinc/45/18/34/961451834.db2.gz OYVRGDSUMHVMBJ-UHFFFAOYSA-N 0 1 242.754 2.404 20 0 BEADMN c1nc2cccc(CN3CCCCO3)c2[nH]1 ZINC001142672647 961581938 /nfs/dbraw/zinc/58/19/38/961581938.db2.gz HOQLVIFVSZEDPU-UHFFFAOYSA-N 0 1 217.272 2.090 20 0 BEADMN F[C@H]1CN(Cc2cccc3[nH]cnc32)C[C@@H]2C[C@@H]21 ZINC001142676827 961608365 /nfs/dbraw/zinc/60/83/65/961608365.db2.gz ROMCAQCZHMNQPU-SRVKXCTJSA-N 0 1 245.301 2.353 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccc3[nH]cnc32)[C@@H](C)CO1 ZINC001142696857 961638712 /nfs/dbraw/zinc/63/87/12/961638712.db2.gz WBOQMOWNMZAXGP-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1C[N@H+](Cc2cccc3nc[nH]c32)[C@@H](C)CO1 ZINC001142696857 961638725 /nfs/dbraw/zinc/63/87/25/961638725.db2.gz WBOQMOWNMZAXGP-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]cnc32)[C@@H](C)CO1 ZINC001142696857 961638755 /nfs/dbraw/zinc/63/87/55/961638755.db2.gz WBOQMOWNMZAXGP-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN c1ccc(C2(N[C@H]3C[C@H]4C[C@H]4C3)COC2)cc1 ZINC001167902842 961666269 /nfs/dbraw/zinc/66/62/69/961666269.db2.gz QENFYGSXJXEBJC-IMRBUKKESA-N 0 1 229.323 2.300 20 0 BEADMN c1ccc(C2(N[C@@H]3C[C@H]4C[C@H]4C3)COC2)cc1 ZINC001167902838 961667390 /nfs/dbraw/zinc/66/73/90/961667390.db2.gz QENFYGSXJXEBJC-DABQJJPHSA-N 0 1 229.323 2.300 20 0 BEADMN CO[C@H]1CCCN(Cc2c(N)cccc2F)C1 ZINC000230227214 961773000 /nfs/dbraw/zinc/77/30/00/961773000.db2.gz DUZVJSNXQQPRED-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN C[C@H]1CN(Cc2ccnc3[nH]ccc32)C[C@H](C)O1 ZINC001142866813 961809155 /nfs/dbraw/zinc/80/91/55/961809155.db2.gz PAHPPYGKWIVIKO-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN F[C@H]1CN(Cc2cccn3ccnc23)C[C@@H]2C[C@@H]21 ZINC001142948793 961849847 /nfs/dbraw/zinc/84/98/47/961849847.db2.gz ULKDBNJLWIRXNZ-AVGNSLFASA-N 0 1 245.301 2.124 20 0 BEADMN O=C1CCCN(Cc2cccc3n[nH]cc32)CC1 ZINC001143089519 961876093 /nfs/dbraw/zinc/87/60/93/961876093.db2.gz VHFGBPLUDCLLCB-UHFFFAOYSA-N 0 1 243.310 2.118 20 0 BEADMN CC(C)=CCN1CC(CNC(=O)CC(C)C)C1 ZINC001268494822 961877057 /nfs/dbraw/zinc/87/70/57/961877057.db2.gz BFWHLPLOICJYOA-UHFFFAOYSA-N 0 1 238.375 2.047 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001137736167 961878155 /nfs/dbraw/zinc/87/81/55/961878155.db2.gz BPVWMNYTTORXRC-GARJFASQSA-N 0 1 224.254 2.011 20 0 BEADMN COc1cc(C)cc(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC001143149240 961889982 /nfs/dbraw/zinc/88/99/82/961889982.db2.gz CAEQMGHEINBYEJ-CYBMUJFWSA-N 0 1 249.354 2.472 20 0 BEADMN Nc1ccc(F)c(Nc2ccnc(CO)c2)c1 ZINC001211824470 962033000 /nfs/dbraw/zinc/03/30/00/962033000.db2.gz JORXFIXEAKDGBR-UHFFFAOYSA-N 0 1 233.246 2.039 20 0 BEADMN Cc1csc(CN2CCC3(CC3)C2)n1 ZINC001204375185 962106715 /nfs/dbraw/zinc/10/67/15/962106715.db2.gz YKMWLBJPNKKTPD-UHFFFAOYSA-N 0 1 208.330 2.437 20 0 BEADMN CN1CCN([C@H]2C[C@H]3C[C@H]3C2)Cc2cccnc21 ZINC001167938030 962127922 /nfs/dbraw/zinc/12/79/22/962127922.db2.gz DIRQYWGVLMDAEW-WDNDVIMCSA-N 0 1 243.354 2.132 20 0 BEADMN CCO[C@H]1CCN2Cc3ccccc3N=C12 ZINC001204951633 962153948 /nfs/dbraw/zinc/15/39/48/962153948.db2.gz QUAOHHPFGTUCLO-LBPRGKRZSA-N 0 1 216.284 2.341 20 0 BEADMN CCN(Cc1nc(C)cs1)C1CCOCC1 ZINC001204376550 962179657 /nfs/dbraw/zinc/17/96/57/962179657.db2.gz SNBBSAKOLFLQFF-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN C[C@H](CCc1ccco1)Nc1ccnc(N)n1 ZINC000131233346 962268107 /nfs/dbraw/zinc/26/81/07/962268107.db2.gz ITBZBFSJGLCAEI-SECBINFHSA-N 0 1 232.287 2.085 20 0 BEADMN CC(C)(NC(=O)c1ccn2cncc2c1)C1CC1 ZINC001151904462 962353608 /nfs/dbraw/zinc/35/36/08/962353608.db2.gz MBJSXRCCUHWKEP-UHFFFAOYSA-N 0 1 243.310 2.253 20 0 BEADMN O=C(Nc1ccsc1)c1cc2c[nH]cnc-2n1 ZINC001152984913 962506113 /nfs/dbraw/zinc/50/61/13/962506113.db2.gz AGTKUQXUPQBXRB-UHFFFAOYSA-N 0 1 244.279 2.223 20 0 BEADMN c1ccc([C@H]2CN([C@H]3C[C@H]4C[C@H]4C3)CCO2)nc1 ZINC001167953962 962747777 /nfs/dbraw/zinc/74/77/77/962747777.db2.gz YGHHJERYCFVQSF-UKTARXLSSA-N 0 1 244.338 2.253 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@@H]2C=CCC2)cc1 ZINC000711736727 962755970 /nfs/dbraw/zinc/75/59/70/962755970.db2.gz MFDXFHOADUXWFD-TZMCWYRMSA-N 0 1 244.338 2.077 20 0 BEADMN Cc1cnc([C@@H](C)NCCOC2CC2)s1 ZINC000711757246 962764947 /nfs/dbraw/zinc/76/49/47/962764947.db2.gz BUXDYZWIFGOIBV-SECBINFHSA-N 0 1 226.345 2.281 20 0 BEADMN CC[C@H](C)NC(=O)c1[nH]nc2c1CCC(C)(C)C2 ZINC001154509119 962785358 /nfs/dbraw/zinc/78/53/58/962785358.db2.gz QXVNVCYBJRYMQS-VIFPVBQESA-N 0 1 249.358 2.453 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccc2c(c1)CCC=C2 ZINC001154597684 962807867 /nfs/dbraw/zinc/80/78/67/962807867.db2.gz IDJULSHAZNRXFJ-UHFFFAOYSA-N 0 1 240.266 2.016 20 0 BEADMN CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)[C@@H]1C ZINC001154802038 962849878 /nfs/dbraw/zinc/84/98/78/962849878.db2.gz OCTGTJWUSVUGNG-GHMZBOCLSA-N 0 1 249.358 2.334 20 0 BEADMN CN(C)Cc1cccc(NCC(F)(F)F)n1 ZINC001161629595 962850302 /nfs/dbraw/zinc/85/03/02/962850302.db2.gz GPYXBFKFMCTBBB-UHFFFAOYSA-N 0 1 233.237 2.117 20 0 BEADMN CC[C@@H]1CCN(C(=O)CCc2cc(C)[nH]n2)[C@H]1C ZINC001154802678 962851039 /nfs/dbraw/zinc/85/10/39/962851039.db2.gz WYBIVFJURAXSBL-NWDGAFQWSA-N 0 1 249.358 2.298 20 0 BEADMN CCCCNc1nc(Cl)nc2[nH]c(C)nc21 ZINC001154827918 962861775 /nfs/dbraw/zinc/86/17/75/962861775.db2.gz VUFCBYHCNZPIHT-UHFFFAOYSA-N 0 1 239.710 2.478 20 0 BEADMN CC(C)(C)CNc1ccc2nc[nH]c2n1 ZINC001161636535 962907216 /nfs/dbraw/zinc/90/72/16/962907216.db2.gz FMFGKVXZUXTSMU-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN CC(=O)c1ccc(F)cc1O[C@@H]1CCN(C)C1 ZINC001225947142 962925426 /nfs/dbraw/zinc/92/54/26/962925426.db2.gz UQBLUCQWDRMPAW-LLVKDONJSA-N 0 1 237.274 2.111 20 0 BEADMN C[C@@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)C1CC1 ZINC001225979150 962941165 /nfs/dbraw/zinc/94/11/65/962941165.db2.gz CHJGUKJOUUGCJV-RXMQYKEDSA-N 0 1 248.204 2.378 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc2cc[nH]c21 ZINC001155034545 962945995 /nfs/dbraw/zinc/94/59/95/962945995.db2.gz NJGXLXJOMCDQCY-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cc1ccncc1C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300131358 962982378 /nfs/dbraw/zinc/98/23/78/962982378.db2.gz BHLMIWMJWKGESP-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)nc1 ZINC000300141723 962986012 /nfs/dbraw/zinc/98/60/12/962986012.db2.gz OXEWLUQEDPVDIS-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cnc(NCCC(=O)N(C)C2CC2)cc1C ZINC001155156253 962994933 /nfs/dbraw/zinc/99/49/33/962994933.db2.gz AZGWKIPDVPMNPP-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1cnc(NCCC(=O)N(C)C2CC2)c(C)c1 ZINC001155150433 962996558 /nfs/dbraw/zinc/99/65/58/962996558.db2.gz PTQINEZXYVSCIO-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1ccc(CN2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206654765 963037363 /nfs/dbraw/zinc/03/73/63/963037363.db2.gz DDKPDGAAWNKIGA-LBPRGKRZSA-N 0 1 240.297 2.163 20 0 BEADMN Cc1ncoc1CN[C@@H](C)CC(F)(F)F ZINC000894473870 963046792 /nfs/dbraw/zinc/04/67/92/963046792.db2.gz ITVMREALUKSVCZ-LURJTMIESA-N 0 1 222.210 2.414 20 0 BEADMN CCC(=O)N[C@H]1CCN(C[C@H](F)CC)[C@@H]1CC ZINC001087479852 963095061 /nfs/dbraw/zinc/09/50/61/963095061.db2.gz KSOQIHONSNXQST-GRYCIOLGSA-N 0 1 244.354 2.114 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155571923 963112812 /nfs/dbraw/zinc/11/28/12/963112812.db2.gz KSKICMFXJGANCC-VXGBXAGGSA-N 0 1 246.370 2.075 20 0 BEADMN COc1cccnc1CN1CCC[C@H]2C[C@H]21 ZINC001206656810 963127999 /nfs/dbraw/zinc/12/79/99/963127999.db2.gz PIRBTMAXTKOLBL-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)C1CCCC1 ZINC001226327563 963153145 /nfs/dbraw/zinc/15/31/45/963153145.db2.gz YMDZCHZTQPUPRF-QMMMGPOBSA-N 0 1 208.261 2.140 20 0 BEADMN O=C(c1cccc2cncn21)N1C2CCC1CC2 ZINC001155793890 963173844 /nfs/dbraw/zinc/17/38/44/963173844.db2.gz ZCJDBQSTIGDBGZ-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307823087 963229615 /nfs/dbraw/zinc/22/96/15/963229615.db2.gz SGEHWNZJBPRSCD-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nonc1CNc1ncc(C)cc1C ZINC001156084885 963249523 /nfs/dbraw/zinc/24/95/23/963249523.db2.gz BZKSLLLQTNYJNT-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN CN(C)c1ncc(-c2ccc3nc[nH]c3c2)cn1 ZINC001204997380 963412910 /nfs/dbraw/zinc/41/29/10/963412910.db2.gz BAWCTKKUXGPAKA-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1ccc(N[C@](C)(C(N)=O)C(C)C)nc1C ZINC001156647799 963425717 /nfs/dbraw/zinc/42/57/17/963425717.db2.gz KFGCMBIJGPPFFV-ZDUSSCGKSA-N 0 1 235.331 2.010 20 0 BEADMN CCc1cc(N[C@@H](CC2CC2)C(=O)[O-])nc(C)[nH+]1 ZINC000310747727 963430753 /nfs/dbraw/zinc/43/07/53/963430753.db2.gz JSBOYUYUTJEONM-NSHDSACASA-N 0 1 249.314 2.013 20 0 BEADMN CCc1nc(N[C@@H](CC2CC2)C(=O)[O-])cc(C)[nH+]1 ZINC000310768932 963431861 /nfs/dbraw/zinc/43/18/61/963431861.db2.gz SKKQEZFFNXFQHQ-JTQLQIEISA-N 0 1 249.314 2.013 20 0 BEADMN Cc1ccc(NCc2ccnc(N)c2)nc1C ZINC001156757625 963454238 /nfs/dbraw/zinc/45/42/38/963454238.db2.gz ZKOZOEGVVFVSOJ-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN CCN1CC[C@@H](Oc2cc(Cl)sn2)C1 ZINC001227377493 963508903 /nfs/dbraw/zinc/50/89/03/963508903.db2.gz GXUPEKNEHBGDSM-SSDOTTSWSA-N 0 1 232.736 2.270 20 0 BEADMN C[C@@H]1C[C@@H](n2c(CN)nc3ccccc32)CCO1 ZINC001168072748 963607060 /nfs/dbraw/zinc/60/70/60/963607060.db2.gz XUVONPSDSWHPRV-MNOVXSKESA-N 0 1 245.326 2.235 20 0 BEADMN COc1c(F)ccc(O[C@H]2CCN(C)C2)c1F ZINC001227889690 963620930 /nfs/dbraw/zinc/62/09/30/963620930.db2.gz MDIGRKDEZSZXDY-QMMMGPOBSA-N 0 1 243.253 2.056 20 0 BEADMN CC(C)N1CC(Nc2cc3ccccc3nn2)C1 ZINC001157532123 963647797 /nfs/dbraw/zinc/64/77/97/963647797.db2.gz SVVRMWXKCICLTP-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN Cc1cc(NC2CN(C(C)C)C2)nc2[nH]ccc21 ZINC001157532153 963648021 /nfs/dbraw/zinc/64/80/21/963648021.db2.gz VAEDATPNOJFTSU-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000144648640 963664881 /nfs/dbraw/zinc/66/48/81/963664881.db2.gz LIYSHGOMLZTALM-QWRGUYRKSA-N 0 1 240.347 2.088 20 0 BEADMN CCOc1ccnc(N[C@@H](CO)C(C)(C)C)c1 ZINC001157758037 963718330 /nfs/dbraw/zinc/71/83/30/963718330.db2.gz ZLENGANOVNUDAT-NSHDSACASA-N 0 1 238.331 2.299 20 0 BEADMN COc1ccnc(NC2CCC(OC)CC2)c1 ZINC001157804743 963730732 /nfs/dbraw/zinc/73/07/32/963730732.db2.gz PTFSBRYKUVXUEN-UHFFFAOYSA-N 0 1 236.315 2.460 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nc(O)cc(=O)[nH]2)C[C@@H]1C ZINC001228388764 963771795 /nfs/dbraw/zinc/77/17/95/963771795.db2.gz MWFLREPZBXAJMY-HRDYMLBCSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nc(O)cc(=O)[nH]2)C[C@H]1C ZINC001228388765 963772015 /nfs/dbraw/zinc/77/20/15/963772015.db2.gz MWFLREPZBXAJMY-IWSPIJDZSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nc(O)cc(=O)[nH]2)C[C@H]1C ZINC001228388762 963772558 /nfs/dbraw/zinc/77/25/58/963772558.db2.gz MWFLREPZBXAJMY-HLTSFMKQSA-N 0 1 238.287 2.091 20 0 BEADMN CCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC001168130856 963814814 /nfs/dbraw/zinc/81/48/14/963814814.db2.gz UURLTLPUOOOSHJ-UHFFFAOYSA-N 0 1 245.208 2.145 20 0 BEADMN CC(C)Oc1ccnc(N(C)[C@H]2CCOC2)c1 ZINC001158575239 963891028 /nfs/dbraw/zinc/89/10/28/963891028.db2.gz ULRULCLHGSHVBU-NSHDSACASA-N 0 1 236.315 2.094 20 0 BEADMN COc1ccc2c(c1)C[C@@H](N1CC[C@H](F)C1)C2 ZINC001168263205 964098250 /nfs/dbraw/zinc/09/82/50/964098250.db2.gz NBNXBLNXOYKRDP-STQMWFEESA-N 0 1 235.302 2.206 20 0 BEADMN COc1nccc(Nc2nonc2C)c1Cl ZINC001211943096 964101183 /nfs/dbraw/zinc/10/11/83/964101183.db2.gz BKGPKEKXROTSAG-UHFFFAOYSA-N 0 1 240.650 2.179 20 0 BEADMN CCC=CNc1nc(Cl)nc2c1CCNC2 ZINC001159662160 964137946 /nfs/dbraw/zinc/13/79/46/964137946.db2.gz ILSRIJWSCZCCPC-HWKANZROSA-N 0 1 238.722 2.111 20 0 BEADMN CCOc1ccnc(N[C@H]2CCOC[C@H]2C)c1 ZINC001159711886 964163535 /nfs/dbraw/zinc/16/35/35/964163535.db2.gz USFTUAIBJGOTKU-PWSUYJOCSA-N 0 1 236.315 2.317 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCOC[C@@H]1C1CC1 ZINC001256751514 1169835597 /nfs/dbraw/zinc/83/55/97/1169835597.db2.gz YDMVLESUQIJJMU-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN CC[C@](N)(CO)Nc1ccc2cccc(C)c2n1 ZINC001159739731 964173142 /nfs/dbraw/zinc/17/31/42/964173142.db2.gz MFQWWXNEGOJVNC-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1ncn(-c2cc3ccccc3n2C)c1N ZINC001212044768 964174878 /nfs/dbraw/zinc/17/48/78/964174878.db2.gz ULGBZLCCHLCVQV-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN c1cc(CN2CC[C@H](Oc3cccnc3)C2)co1 ZINC000093691630 964248278 /nfs/dbraw/zinc/24/82/78/964248278.db2.gz XVJZJLWQZHTNFX-AWEZNQCLSA-N 0 1 244.294 2.328 20 0 BEADMN Cc1cnc(NCCC(=O)NC(C)(C)C)cc1C ZINC001160417152 964301194 /nfs/dbraw/zinc/30/11/94/964301194.db2.gz VMCRHLSGJXQUHH-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN NC1(c2noc(C3(C(F)F)CC3)n2)CCCC1 ZINC000697594906 964332751 /nfs/dbraw/zinc/33/27/51/964332751.db2.gz HAVAJWUARRGAFI-UHFFFAOYSA-N 0 1 243.257 2.094 20 0 BEADMN Cc1cnc(NC2CN(C(C)C)C2)c2[nH]ccc21 ZINC001168313297 964419277 /nfs/dbraw/zinc/41/92/77/964419277.db2.gz RWINXFHWLQOUDA-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CC(C)N1CC(Nc2ccc3cc[nH]c3n2)C1 ZINC001168315200 964425577 /nfs/dbraw/zinc/42/55/77/964425577.db2.gz KOQZWDNOIOIRMI-UHFFFAOYSA-N 0 1 230.315 2.067 20 0 BEADMN CC(C)N1CC(Nc2cnc3[nH]cc(F)c3c2)C1 ZINC001168316053 964434139 /nfs/dbraw/zinc/43/41/39/964434139.db2.gz UFEBWUKQCGVKIT-UHFFFAOYSA-N 0 1 248.305 2.207 20 0 BEADMN CC(C)N1CC(Nc2ccc(C3CC3)cn2)C1 ZINC001168316330 964436313 /nfs/dbraw/zinc/43/63/13/964436313.db2.gz WUZYAWYSKUDDIR-UHFFFAOYSA-N 0 1 231.343 2.464 20 0 BEADMN C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C2(CC2)C1 ZINC001160964121 964460371 /nfs/dbraw/zinc/46/03/71/964460371.db2.gz ONHCGEFGUPPGBI-WCQYABFASA-N 0 1 244.338 2.087 20 0 BEADMN Nc1ccc2ncn(-c3cccc4nc[nH]c43)c2c1 ZINC001213031630 964563272 /nfs/dbraw/zinc/56/32/72/964563272.db2.gz JYWOFOIRBPLGRV-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1cccc2cn(-c3cccc4nc[nH]c43)nc21 ZINC001213031537 964563351 /nfs/dbraw/zinc/56/33/51/964563351.db2.gz FDPWVNDKPAHYBZ-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cnnn2C)c(C)c1 ZINC000924711139 964602621 /nfs/dbraw/zinc/60/26/21/964602621.db2.gz RBLZBJLBJBVTPR-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N1CCNC2(CC2)C1 ZINC001161550468 964628754 /nfs/dbraw/zinc/62/87/54/964628754.db2.gz JKUINUIEZUONSK-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1ccccc1NC(=O)C1CN(C)C1 ZINC001142592456 964655283 /nfs/dbraw/zinc/65/52/83/964655283.db2.gz XNBDZZSAQPZOMS-UHFFFAOYSA-N 0 1 232.327 2.310 20 0 BEADMN CCc1cccc(CC)c1NC(=O)C1CN(C)C1 ZINC001142598607 964660339 /nfs/dbraw/zinc/66/03/39/964660339.db2.gz AUCQLYCSHILGQE-UHFFFAOYSA-N 0 1 246.354 2.312 20 0 BEADMN Cc1cc(C)cc([C@@H](C)NC(=O)C2CN(C)C2)c1 ZINC001142600636 964664641 /nfs/dbraw/zinc/66/46/41/964664641.db2.gz FEWAVIUXQLSFRV-GFCCVEGCSA-N 0 1 246.354 2.042 20 0 BEADMN Cc1c2nc[nH]c2ccc1N[C@@H](CO)C(C)C ZINC001161740693 964727706 /nfs/dbraw/zinc/72/77/06/964727706.db2.gz QYYDHWYNLKGGDN-LBPRGKRZSA-N 0 1 233.315 2.300 20 0 BEADMN Cc1cc(CN2CC[C@@H](CO)C2)cc(F)c1F ZINC001143607050 964734532 /nfs/dbraw/zinc/73/45/32/964734532.db2.gz MCLHJPDRLNNXHH-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H](C)OC[C@@H]1C ZINC001256753124 1169846806 /nfs/dbraw/zinc/84/68/06/1169846806.db2.gz GZVSJIUVXOKHIG-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN Cc1c2nc[nH]c2ccc1NC1CCOCC1 ZINC001161865451 964799775 /nfs/dbraw/zinc/79/97/75/964799775.db2.gz PBUNLIQJJHXJKD-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN Cc1ncc(-n2c(N)nc3ccccc32)s1 ZINC001212126402 964835178 /nfs/dbraw/zinc/83/51/78/964835178.db2.gz XJMPDAVFSGAGQX-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN CC1(C)CC[C@H](CNc2ncc3c(n2)CNC3)C1 ZINC001162123055 964848061 /nfs/dbraw/zinc/84/80/61/964848061.db2.gz LFDOASHGWOJUIZ-JTQLQIEISA-N 0 1 246.358 2.318 20 0 BEADMN CCc1coc(CNc2ccnc(C)c2F)n1 ZINC001162140500 964854315 /nfs/dbraw/zinc/85/43/15/964854315.db2.gz OEGPUYWHULLFNB-UHFFFAOYSA-N 0 1 235.262 2.114 20 0 BEADMN CC(C)(C)N1CC(Nc2ncc(C3CC3)cn2)C1 ZINC001162221132 964880391 /nfs/dbraw/zinc/88/03/91/964880391.db2.gz ISGGUJHOKRNBNK-UHFFFAOYSA-N 0 1 246.358 2.249 20 0 BEADMN CC(C)(C)N1CC(Nc2cc(F)ccn2)C1 ZINC001162220294 964881432 /nfs/dbraw/zinc/88/14/32/964881432.db2.gz NZHKQXKDJQKKQZ-UHFFFAOYSA-N 0 1 223.295 2.115 20 0 BEADMN Cc1nc(C)c(C)c(NC2CN(C(C)(C)C)C2)n1 ZINC001162226383 964882843 /nfs/dbraw/zinc/88/28/43/964882843.db2.gz QSLZWWGCDWNTNQ-UHFFFAOYSA-N 0 1 248.374 2.296 20 0 BEADMN CC(C)(CNc1ccnc(N)n1)CC(F)(F)F ZINC001162248822 964889706 /nfs/dbraw/zinc/88/97/06/964889706.db2.gz BLFHEOSIVPUJAG-UHFFFAOYSA-N 0 1 248.252 2.449 20 0 BEADMN CN1CCC[C@@](C)(Nc2cncnc2Cl)C1 ZINC001162342219 964939195 /nfs/dbraw/zinc/93/91/95/964939195.db2.gz RVSZCYGXZOJEPB-LLVKDONJSA-N 0 1 240.738 2.026 20 0 BEADMN F[C@H]1COCC[C@H]1Nc1ccc2c(n1)CCC2 ZINC001162344185 964940515 /nfs/dbraw/zinc/94/05/15/964940515.db2.gz HURYRONRLKKILI-CMPLNLGQSA-N 0 1 236.290 2.109 20 0 BEADMN CCOc1ccnc(N[C@H]2C[C@]23CCCOC3)c1 ZINC001162369280 964945657 /nfs/dbraw/zinc/94/56/57/964945657.db2.gz DBJBXRVFOVPDCN-JSGCOSHPSA-N 0 1 248.326 2.461 20 0 BEADMN COC(=O)Cc1cc(NC(C)(C)C2CC2)ccn1 ZINC001162522328 965019940 /nfs/dbraw/zinc/01/99/40/965019940.db2.gz SZZMTOXKCAMBAW-UHFFFAOYSA-N 0 1 248.326 2.398 20 0 BEADMN CC(C)(C)C(=N)Nc1nccc2nc[nH]c21 ZINC001162662520 965097414 /nfs/dbraw/zinc/09/74/14/965097414.db2.gz XAUQDCNJSDUSMD-UHFFFAOYSA-N 0 1 217.276 2.393 20 0 BEADMN Cc1cnccc1CNc1ccnc(C)c1F ZINC001162723612 965146622 /nfs/dbraw/zinc/14/66/22/965146622.db2.gz UOBUZYAQOJQZLD-UHFFFAOYSA-N 0 1 231.274 2.267 20 0 BEADMN Fc1ccc2c(c1)CC[C@H](NCc1cocn1)C2 ZINC001168404576 965242063 /nfs/dbraw/zinc/24/20/63/965242063.db2.gz MINCINBFFDHWTC-ZDUSSCGKSA-N 0 1 246.285 2.461 20 0 BEADMN F[C@@H]1CCN(Cc2c[nH]c3cccnc23)C1 ZINC001231486282 965265784 /nfs/dbraw/zinc/26/57/84/965265784.db2.gz PAIXYUHHRFZGPG-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN Cc1nnc(CNC[C@]23C[C@H]2CCC3)s1 ZINC000698369809 965266937 /nfs/dbraw/zinc/26/69/37/965266937.db2.gz SQZRYJLQBLIMKS-KOLCDFICSA-N 0 1 223.345 2.126 20 0 BEADMN Cc1cnc(N[C@H](C)c2ccno2)c(N)c1 ZINC001163213598 965305737 /nfs/dbraw/zinc/30/57/37/965305737.db2.gz PACNBZUSEJKSGV-MRVPVSSYSA-N 0 1 218.260 2.133 20 0 BEADMN Cc1ccnc(N[C@H]2CNCc3ccsc32)n1 ZINC001163229671 965312176 /nfs/dbraw/zinc/31/21/76/965312176.db2.gz QPSDOYPWTAUSKO-JTQLQIEISA-N 0 1 246.339 2.103 20 0 BEADMN Cc1ncc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)[nH]1 ZINC001232458663 965357789 /nfs/dbraw/zinc/35/77/89/965357789.db2.gz PTQDAMWKUVHQHN-STQMWFEESA-N 0 1 247.342 2.052 20 0 BEADMN COC1CCN(Cc2cc3ccoc3cn2)CC1 ZINC001232550332 965377703 /nfs/dbraw/zinc/37/77/03/965377703.db2.gz UDZYOGXUTMDMRI-UHFFFAOYSA-N 0 1 246.310 2.439 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232549935 965381762 /nfs/dbraw/zinc/38/17/62/965381762.db2.gz OHQPCKXJDZAPOO-CYBMUJFWSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@@H]1C[C@H](O)CCN1Cc1cc2ccoc2cn1 ZINC001232553709 965382315 /nfs/dbraw/zinc/38/23/15/965382315.db2.gz CJTJDCWFBLOLDQ-ZWNOBZJWSA-N 0 1 246.310 2.173 20 0 BEADMN CC(C)[N@H+](C)Cc1cc(Cl)ncc1[O-] ZINC001233033705 965458846 /nfs/dbraw/zinc/45/88/46/965458846.db2.gz UYIRKZFZOFKQMQ-UHFFFAOYSA-N 0 1 214.696 2.281 20 0 BEADMN CC(C)[N@@H+](C)Cc1cc(Cl)ncc1[O-] ZINC001233033705 965458848 /nfs/dbraw/zinc/45/88/48/965458848.db2.gz UYIRKZFZOFKQMQ-UHFFFAOYSA-N 0 1 214.696 2.281 20 0 BEADMN C[C@@H]1CN([C@@H]2CCc3cc(F)ccc3C2)CCO1 ZINC001168430323 965472932 /nfs/dbraw/zinc/47/29/32/965472932.db2.gz YJTJEHUTTCESRX-IAQYHMDHSA-N 0 1 249.329 2.404 20 0 BEADMN CCCN(CC)c1cccc(N2CCOCC2)n1 ZINC001163602639 965474443 /nfs/dbraw/zinc/47/44/43/965474443.db2.gz LRCWZVFRXAFSFU-UHFFFAOYSA-N 0 1 249.358 2.155 20 0 BEADMN Nc1cc(NCCc2cccc(O)c2)ncc1F ZINC001163698836 965515313 /nfs/dbraw/zinc/51/53/13/965515313.db2.gz UOPMWXKOSCWTIC-UHFFFAOYSA-N 0 1 247.273 2.163 20 0 BEADMN CSCCCNc1ccc2nc(C)[nH]c2n1 ZINC001163875641 965615710 /nfs/dbraw/zinc/61/57/10/965615710.db2.gz OXQXCZAWQZJAMJ-UHFFFAOYSA-N 0 1 236.344 2.431 20 0 BEADMN Cc1nonc1CNc1ccc2[nH]cnc2c1C ZINC001164058909 965721741 /nfs/dbraw/zinc/72/17/41/965721741.db2.gz CGKIBIXIERDSAI-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1ccc(N2C[C@H](O)CC[C@H]2C)nc1C ZINC001164119136 965743552 /nfs/dbraw/zinc/74/35/52/965743552.db2.gz LPEGGTHDYSHERU-ZYHUDNBSSA-N 0 1 220.316 2.048 20 0 BEADMN Cc1ccc(N2[C@@H](C)CC[C@H]2CO)nc1C ZINC001164304744 965837955 /nfs/dbraw/zinc/83/79/55/965837955.db2.gz NMMFAQGUBCSUQQ-JQWIXIFHSA-N 0 1 220.316 2.048 20 0 BEADMN Cc1ccnc(NCC2(CO)CCC2)c1C ZINC001164357863 965857393 /nfs/dbraw/zinc/85/73/93/965857393.db2.gz NJYUMGXZBYNFKJ-UHFFFAOYSA-N 0 1 220.316 2.273 20 0 BEADMN Cc1cc2nccn2cc1NCC1(CO)CCC1 ZINC001164363654 965858716 /nfs/dbraw/zinc/85/87/16/965858716.db2.gz DVVQKQZLFKIRHZ-UHFFFAOYSA-N 0 1 245.326 2.217 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2COC[C@H]2C)cs1 ZINC000699464024 965883294 /nfs/dbraw/zinc/88/32/94/965883294.db2.gz LSALSESQTKYWFQ-WEDXCCLWSA-N 0 1 226.345 2.137 20 0 BEADMN c1ccn(CCNc2cccn3cncc23)c1 ZINC001164454821 965890220 /nfs/dbraw/zinc/89/02/20/965890220.db2.gz GXYUOVOTPYFLEV-UHFFFAOYSA-N 0 1 226.283 2.248 20 0 BEADMN CC[C@@H]1COC[C@@H]1N[C@@H](C)c1cscn1 ZINC000699474132 965897275 /nfs/dbraw/zinc/89/72/75/965897275.db2.gz UMAUPFWNHLSWAZ-AEJSXWLSSA-N 0 1 226.345 2.219 20 0 BEADMN Clc1cnc(CN2CC[C@@H](C3CC3)C2)cn1 ZINC000400365246 965947360 /nfs/dbraw/zinc/94/73/60/965947360.db2.gz CYKPGXAFYIQVOW-SNVBAGLBSA-N 0 1 237.734 2.362 20 0 BEADMN CCc1nc(CN[C@@H]2COC[C@@H]2CC)cs1 ZINC000699555723 965971692 /nfs/dbraw/zinc/97/16/92/965971692.db2.gz CSEPTHADWGPLAC-GXSJLCMTSA-N 0 1 240.372 2.220 20 0 BEADMN CC(C)N1CCN(c2ncccc2F)C[C@H]1C ZINC001165199031 965982856 /nfs/dbraw/zinc/98/28/56/965982856.db2.gz QJOQSKGUEXPPGL-LLVKDONJSA-N 0 1 237.322 2.140 20 0 BEADMN Cc1cc(N(C)C)ncc1NC[C@@H]1CCCCO1 ZINC001165230573 965997433 /nfs/dbraw/zinc/99/74/33/965997433.db2.gz XILHOMUSZKMZKK-LBPRGKRZSA-N 0 1 249.358 2.437 20 0 BEADMN Cc1cc(C)nc(N2CC[C@@]3(CCOC3)C2)c1 ZINC001165251052 966009250 /nfs/dbraw/zinc/00/92/50/966009250.db2.gz XQAQJUXTJSJPFU-CQSZACIVSA-N 0 1 232.327 2.315 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000699776043 966081614 /nfs/dbraw/zinc/08/16/14/966081614.db2.gz KWDHPVUYIZNDSZ-RISCZKNCSA-N 0 1 249.358 2.123 20 0 BEADMN Clc1cccnc1CSc1c[nH]nn1 ZINC001165735285 966150259 /nfs/dbraw/zinc/15/02/59/966150259.db2.gz IKIPBJBGBDCZMJ-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN Cc1cc2cc[nH]c2c(N[C@@H](C)CCO)n1 ZINC001165868404 966182077 /nfs/dbraw/zinc/18/20/77/966182077.db2.gz UEDQWJHMRIOAPW-QMMMGPOBSA-N 0 1 219.288 2.054 20 0 BEADMN Cc1ncn(-c2ccnc(Cl)c2Cl)c1N ZINC001212234463 966269117 /nfs/dbraw/zinc/26/91/17/966269117.db2.gz CYTYDAGGUOSVQF-UHFFFAOYSA-N 0 1 243.097 2.465 20 0 BEADMN CCOc1ccnc(N2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001166530889 966290479 /nfs/dbraw/zinc/29/04/79/966290479.db2.gz XSWCBVCICTXXFL-JBLDHEPKSA-N 0 1 236.290 2.417 20 0 BEADMN Cc1ccc(N(C)CC2(C)COC2)nc1C ZINC001166708888 966375069 /nfs/dbraw/zinc/37/50/69/966375069.db2.gz JFKYPYQUUICYGF-UHFFFAOYSA-N 0 1 220.316 2.171 20 0 BEADMN CCCC(=O)N(C)C1CN(CC2CCCC2)C1 ZINC001483849835 966390158 /nfs/dbraw/zinc/39/01/58/966390158.db2.gz GZPFSVYETGPAMD-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCOc1ccnc(N2CCC(=O)C[C@@H]2C)c1 ZINC001166932863 966448485 /nfs/dbraw/zinc/44/84/85/966448485.db2.gz UQBFHDWTRDIOMQ-JTQLQIEISA-N 0 1 234.299 2.038 20 0 BEADMN Cc1nc2ccc(Nc3nonc3C)cc2[nH]1 ZINC001213070478 966478946 /nfs/dbraw/zinc/47/89/46/966478946.db2.gz RSBOFSRMTCHPTA-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Clc1nccnc1CN1C[C@H]2CCC[C@@H]2C1 ZINC001236613189 966481320 /nfs/dbraw/zinc/48/13/20/966481320.db2.gz GUFNLSSBHMHYRN-NXEZZACHSA-N 0 1 237.734 2.362 20 0 BEADMN Cc1ccc(O)cc1Nc1ccnc(CO)c1 ZINC001214341119 966486526 /nfs/dbraw/zinc/48/65/26/966486526.db2.gz NQBJIVSXGMZUCK-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN CC(C)[C@H]1COCCN1c1cccc(N(C)C)n1 ZINC001167000133 966511984 /nfs/dbraw/zinc/51/19/84/966511984.db2.gz KJFLIRJLIKPOLI-GFCCVEGCSA-N 0 1 249.358 2.009 20 0 BEADMN CC(C)[C@@H]1COCCN1c1cccc(N(C)C)n1 ZINC001167000134 966512456 /nfs/dbraw/zinc/51/24/56/966512456.db2.gz KJFLIRJLIKPOLI-LBPRGKRZSA-N 0 1 249.358 2.009 20 0 BEADMN CC(C)[C@@H]1COCCN1Cc1ccc(CO)cc1 ZINC001203188898 966542850 /nfs/dbraw/zinc/54/28/50/966542850.db2.gz BMUWMARJNUWHKW-HNNXBMFYSA-N 0 1 249.354 2.036 20 0 BEADMN COc1ccccc1[C@H](C)N(C)Cc1c[nH]nn1 ZINC001203206498 966553895 /nfs/dbraw/zinc/55/38/95/966553895.db2.gz BHHQXXLBAPTRKA-JTQLQIEISA-N 0 1 246.314 2.006 20 0 BEADMN CCc1cc(CN2CCC(C)CC2)on1 ZINC001203213795 966557661 /nfs/dbraw/zinc/55/76/61/966557661.db2.gz TWGHDHYXOPRTNB-UHFFFAOYSA-N 0 1 208.305 2.469 20 0 BEADMN CCCN(CCOC)Cc1cc(CC)no1 ZINC001203213032 966558013 /nfs/dbraw/zinc/55/80/13/966558013.db2.gz KKTVECMKVCFPTG-UHFFFAOYSA-N 0 1 226.320 2.095 20 0 BEADMN CCc1cc(CN2CCC3(CC3)C2)on1 ZINC001203218994 966566727 /nfs/dbraw/zinc/56/67/27/966566727.db2.gz PUMLVRYQIGSGGJ-UHFFFAOYSA-N 0 1 206.289 2.223 20 0 BEADMN CC(=O)C1CCN(Cc2ccco2)CC1 ZINC001203285865 966597501 /nfs/dbraw/zinc/59/75/01/966597501.db2.gz WPDDYSWRHDNYKR-UHFFFAOYSA-N 0 1 207.273 2.081 20 0 BEADMN COc1cc(F)c(NC2=CCOC2)c(F)c1 ZINC001203390151 966628122 /nfs/dbraw/zinc/62/81/22/966628122.db2.gz QBXVKBLELPUVDB-UHFFFAOYSA-N 0 1 227.210 2.299 20 0 BEADMN COc1cccc(CN2CC=CC2)c1OC ZINC001203439614 966645943 /nfs/dbraw/zinc/64/59/43/966645943.db2.gz NRGXKIXKTVTLJN-UHFFFAOYSA-N 0 1 219.284 2.076 20 0 BEADMN CC(=O)[C@H]1CCCCN1Cc1cccc(N)c1 ZINC001237222911 966647568 /nfs/dbraw/zinc/64/75/68/966647568.db2.gz YMBBRHTZWBQOCU-CQSZACIVSA-N 0 1 232.327 2.212 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@H](C)C(F)(F)C1 ZINC001237652843 966687409 /nfs/dbraw/zinc/68/74/09/966687409.db2.gz YXDGFURPUCQFNV-VIFPVBQESA-N 0 1 243.301 2.449 20 0 BEADMN COc1ccc(CN2CC3(COC3)C2)c(C)c1C ZINC001203713810 966741860 /nfs/dbraw/zinc/74/18/60/966741860.db2.gz XPXAAWPMWYTKIR-UHFFFAOYSA-N 0 1 247.338 2.144 20 0 BEADMN CO[C@@H]1CN(Cc2cc(C)ccc2C)C[C@@H]1F ZINC001203743152 966765762 /nfs/dbraw/zinc/76/57/62/966765762.db2.gz MWTRUCHBULFDOV-UONOGXRCSA-N 0 1 237.318 2.472 20 0 BEADMN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2CO3)c1 ZINC001203749470 966767353 /nfs/dbraw/zinc/76/73/53/966767353.db2.gz JBTFXGFGBGGMIM-KBPBESRZSA-N 0 1 217.312 2.277 20 0 BEADMN CCOc1ccc(C)c(CN2CCN(C)CC2)c1 ZINC001238706603 966776786 /nfs/dbraw/zinc/77/67/86/966776786.db2.gz YGRWRTSCHOKING-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN COc1cc(CN2CC[C@H]2C)ccc1OC(C)=O ZINC001203825139 966790744 /nfs/dbraw/zinc/79/07/44/966790744.db2.gz LJCMTDXFTJJABG-SNVBAGLBSA-N 0 1 249.310 2.215 20 0 BEADMN Oc1cccc(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001203860398 966798020 /nfs/dbraw/zinc/79/80/20/966798020.db2.gz FVBSQVAXPAYQQM-OCCSQVGLSA-N 0 1 233.311 2.003 20 0 BEADMN CC(=O)N1CCN(Cc2cccc(C)c2)C[C@H]1C ZINC001203892428 966811889 /nfs/dbraw/zinc/81/18/89/966811889.db2.gz LNWGSIDIOPOCKQ-CYBMUJFWSA-N 0 1 246.354 2.048 20 0 BEADMN CC(=O)N1CCN(Cc2cccc(C)c2)C[C@@H]1C ZINC001203892430 966813236 /nfs/dbraw/zinc/81/32/36/966813236.db2.gz LNWGSIDIOPOCKQ-ZDUSSCGKSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1cccc(CN(C)C2(C)COC2)c1 ZINC001203895263 966813260 /nfs/dbraw/zinc/81/32/60/966813260.db2.gz SXPNKNKGBQYRDQ-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN O=c1[nH]c2cccc(CNC/C=C/Cl)c2o1 ZINC001203962438 966832271 /nfs/dbraw/zinc/83/22/71/966832271.db2.gz YRFOJHLANCINDA-GORDUTHDSA-N 0 1 238.674 2.376 20 0 BEADMN c1csc(CN2CC(N3CCCC3)C2)c1 ZINC001204015526 966854170 /nfs/dbraw/zinc/85/41/70/966854170.db2.gz WGWXPUSNNCCMSV-UHFFFAOYSA-N 0 1 222.357 2.028 20 0 BEADMN c1[nH]c2ccccc2c1CN1CC2(COC2)C1 ZINC001204040889 966865193 /nfs/dbraw/zinc/86/51/93/966865193.db2.gz BSCKHMMXDHRODH-UHFFFAOYSA-N 0 1 228.295 2.000 20 0 BEADMN Cc1cccc2c1N(Cc1cnc[nH]1)CC2 ZINC000139864407 966896799 /nfs/dbraw/zinc/89/67/99/966896799.db2.gz JNTKNNFXMJBBAQ-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1F ZINC001204151139 966904358 /nfs/dbraw/zinc/90/43/58/966904358.db2.gz QYXDJMUPPJSDRD-SKDRFNHKSA-N 0 1 237.274 2.175 20 0 BEADMN CN(C)Cc1cc(-c2ccccc2)nn1C ZINC001143004329 966908039 /nfs/dbraw/zinc/90/80/39/966908039.db2.gz JDUWTEWYPYCDID-UHFFFAOYSA-N 0 1 215.300 2.149 20 0 BEADMN c1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)co1 ZINC001204242004 966935284 /nfs/dbraw/zinc/93/52/84/966935284.db2.gz ORPQVALHOMCQAB-QWHCGFSZSA-N 0 1 221.300 2.281 20 0 BEADMN c1cc(CN2CC[C@H]3CCCO[C@@H]3C2)co1 ZINC001204242002 966937265 /nfs/dbraw/zinc/93/72/65/966937265.db2.gz ORPQVALHOMCQAB-CHWSQXEVSA-N 0 1 221.300 2.281 20 0 BEADMN Cc1nnc(C2CCN(Cc3ccoc3)CC2)o1 ZINC001204243979 966940392 /nfs/dbraw/zinc/94/03/92/966940392.db2.gz PKKCHLXWZWWIQJ-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ccoc2)C1 ZINC001204245213 966940733 /nfs/dbraw/zinc/94/07/33/966940733.db2.gz HHNQAOVLPDLEQV-LBPRGKRZSA-N 0 1 207.273 2.081 20 0 BEADMN CCCO[C@H]1CCN(Cc2ccoc2)C1 ZINC001204243506 966941248 /nfs/dbraw/zinc/94/12/48/966941248.db2.gz WSZMXRVLEZSBOB-LBPRGKRZSA-N 0 1 209.289 2.281 20 0 BEADMN COc1cccc(OC)c1CN1CC[C@H]1C ZINC001204251396 966945513 /nfs/dbraw/zinc/94/55/13/966945513.db2.gz XLOGRPBKECBEDX-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN COc1ccc(CN2CC(C)C2)c(OC)c1C ZINC001204257458 966946904 /nfs/dbraw/zinc/94/69/04/966946904.db2.gz XDYAXXHLPAWWPI-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN Cc1[nH]c2ccccc2c1CN1C[C@@H]2C[C@H]1CO2 ZINC001204289609 966963946 /nfs/dbraw/zinc/96/39/46/966963946.db2.gz RTTWQNCCLCCZIX-RYUDHWBXSA-N 0 1 242.322 2.449 20 0 BEADMN CCCOc1ccc(CN2CC3(COC3)C2)cc1 ZINC001204306450 966964500 /nfs/dbraw/zinc/96/45/00/966964500.db2.gz USZWWTUJYNFTTH-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CCc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)o1 ZINC001204392128 966979365 /nfs/dbraw/zinc/97/93/65/966979365.db2.gz AQWJTFKWGJUBMX-PHIMTYICSA-N 0 1 233.311 2.253 20 0 BEADMN Cc1csc(CN2CC[C@@](C)(O)[C@H](C)C2)n1 ZINC001204374445 966982763 /nfs/dbraw/zinc/98/27/63/966982763.db2.gz LGWGDNPBOHLZCC-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CC[C@@H](C)[C@H](O)CC2)n1 ZINC001204374717 966983602 /nfs/dbraw/zinc/98/36/02/966983602.db2.gz PEVSZPAPDOLGOE-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032606148 967002965 /nfs/dbraw/zinc/00/29/65/967002965.db2.gz OWMXTVOSOOVLRW-STQMWFEESA-N 0 1 248.370 2.036 20 0 BEADMN Cc1cc(C)cc(CN2C[C@@H]3C[C@H]2CO3)c1 ZINC001204526958 967022041 /nfs/dbraw/zinc/02/20/41/967022041.db2.gz WRKRNFZLOWREDL-KBPBESRZSA-N 0 1 217.312 2.277 20 0 BEADMN CC1(C)CN(Cc2nccs2)[C@@](C)(CO)C1 ZINC001204545620 967041760 /nfs/dbraw/zinc/04/17/60/967041760.db2.gz ZJNOKPDVKOXQHT-GFCCVEGCSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H]1C[C@H]2CN(Cc3nccs3)CC[C@H]2O1 ZINC001204546411 967050512 /nfs/dbraw/zinc/05/05/12/967050512.db2.gz HOXPHTRDKZYNRF-GARJFASQSA-N 0 1 238.356 2.142 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)cc1CO ZINC001214452674 967067790 /nfs/dbraw/zinc/06/77/90/967067790.db2.gz CSUDYTYFBALGDC-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN c1cc2cc(-c3ncnc4c3CNC4)ccc2[nH]1 ZINC001239691333 967089436 /nfs/dbraw/zinc/08/94/36/967089436.db2.gz HMRGZCUEYPOPQY-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CCOC(=O)[C@@H](C)c1c(F)cc(F)c(O)c1F ZINC001249855369 967093994 /nfs/dbraw/zinc/09/39/94/967093994.db2.gz FXXKNAZPHBMFGV-YFKPBYRVSA-N 0 1 248.200 2.476 20 0 BEADMN Cc1ncn(-c2cc3ccc(F)cc3[nH]2)c1N ZINC001249873437 967116024 /nfs/dbraw/zinc/11/60/24/967116024.db2.gz FMTVGRLVSMRSKJ-UHFFFAOYSA-N 0 1 230.246 2.383 20 0 BEADMN Nc1cncn1-c1ccc2c(c1)C(=O)CCCC2 ZINC001249894885 967133197 /nfs/dbraw/zinc/13/31/97/967133197.db2.gz WJOKWNIURGAWPW-UHFFFAOYSA-N 0 1 241.294 2.364 20 0 BEADMN CO[C@H]1CCCN(Cc2cccn2C(F)F)C1 ZINC001204749956 967143425 /nfs/dbraw/zinc/14/34/25/967143425.db2.gz PQASQOKALGZXHL-NSHDSACASA-N 0 1 244.285 2.494 20 0 BEADMN Cc1ccc(C(=O)Cc2cnoc2)cc1 ZINC001249908139 967145610 /nfs/dbraw/zinc/14/56/10/967145610.db2.gz KZBACBOJNYOGGG-UHFFFAOYSA-N 0 1 201.225 2.408 20 0 BEADMN COc1cc(CN(C)C2CC2)cnc1Cl ZINC001249916811 967155426 /nfs/dbraw/zinc/15/54/26/967155426.db2.gz HLGOFPRVTDJOKN-UHFFFAOYSA-N 0 1 226.707 2.338 20 0 BEADMN CCC(=O)Cc1c(F)cc(F)c(O)c1F ZINC001249921369 967162445 /nfs/dbraw/zinc/16/24/45/967162445.db2.gz HJJWRMRUDQKGQL-UHFFFAOYSA-N 0 1 218.174 2.331 20 0 BEADMN CN1CCN(c2ccc(C3=CCCC3)cn2)CC1 ZINC001239785790 967168212 /nfs/dbraw/zinc/16/82/12/967168212.db2.gz DJEWRYZDLJZPAM-UHFFFAOYSA-N 0 1 243.354 2.401 20 0 BEADMN Nc1cncn1-c1ccc(-c2ncco2)cc1 ZINC001249925303 967169303 /nfs/dbraw/zinc/16/93/03/967169303.db2.gz HSJFSDOFDYVKRI-UHFFFAOYSA-N 0 1 226.239 2.110 20 0 BEADMN CCC(=O)CC1=CC[C@@H](N2CCOCC2)CC1 ZINC001249922969 967169585 /nfs/dbraw/zinc/16/95/85/967169585.db2.gz VLQPNDLPVWQAQO-CYBMUJFWSA-N 0 1 237.343 2.167 20 0 BEADMN CN(C)c1cc(F)cc(CN2CCC2)c1 ZINC001249941467 967180779 /nfs/dbraw/zinc/18/07/79/967180779.db2.gz IQPLMPSGDGASBC-UHFFFAOYSA-N 0 1 208.280 2.097 20 0 BEADMN Cc1nn(C)c2ccc(Nc3nnco3)cc12 ZINC001204833857 967191537 /nfs/dbraw/zinc/19/15/37/967191537.db2.gz HDHYFTBYBYPIQG-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)cc1F ZINC001239818173 967211234 /nfs/dbraw/zinc/21/12/34/967211234.db2.gz DCAZHJZHDQPFLZ-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCOc1cc(CN2CC[C@H]2C)ccn1 ZINC001250003784 967264157 /nfs/dbraw/zinc/26/41/57/967264157.db2.gz ZQGVPNGXBMRGFI-SNVBAGLBSA-N 0 1 206.289 2.075 20 0 BEADMN CCCn1cc(-c2nccc3[nH]cnc32)cn1 ZINC001240127107 967294445 /nfs/dbraw/zinc/29/44/45/967294445.db2.gz KBDVEZAGAWGBPU-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN Cc1noc(C)c1Cc1cnc(N)cc1C ZINC001250068966 967338803 /nfs/dbraw/zinc/33/88/03/967338803.db2.gz ZSMDDOHUXOHNKA-UHFFFAOYSA-N 0 1 217.272 2.168 20 0 BEADMN CC(C)OC(=O)Cc1cccc2nc[nH]c21 ZINC001250088424 967352765 /nfs/dbraw/zinc/35/27/65/967352765.db2.gz MJAYTACPQJOGJZ-UHFFFAOYSA-N 0 1 218.256 2.057 20 0 BEADMN Cn1ccnc1CN1CCC[C@@](C)(F)CC1 ZINC001205111826 967356101 /nfs/dbraw/zinc/35/61/01/967356101.db2.gz NUZMGIMWDSOZPP-GFCCVEGCSA-N 0 1 225.311 2.134 20 0 BEADMN Cn1ccnc1CN1CCC12CCCCC2 ZINC001205111565 967356819 /nfs/dbraw/zinc/35/68/19/967356819.db2.gz GZDIDDJYBXQUDA-UHFFFAOYSA-N 0 1 219.332 2.329 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1ncc2c(n1)CNCC2 ZINC001168692926 967393996 /nfs/dbraw/zinc/39/39/96/967393996.db2.gz HUFDIZGRVSHYSH-GHMZBOCLSA-N 0 1 248.374 2.359 20 0 BEADMN OCc1cc(-c2cc3[nH]cnc3cn2)cs1 ZINC001205266295 967457564 /nfs/dbraw/zinc/45/75/64/967457564.db2.gz DTQBCXVKHILQMR-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN c1cc2c(cccc2CN2C[C@H]3C[C@@H](C2)O3)[nH]1 ZINC001205289730 967483627 /nfs/dbraw/zinc/48/36/27/967483627.db2.gz HIHAUHMBLODMJJ-TXEJJXNPSA-N 0 1 228.295 2.141 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc(C)c1O ZINC000003747915 967492921 /nfs/dbraw/zinc/49/29/21/967492921.db2.gz VBGCOGGXMUBXOA-LBPRGKRZSA-N 0 1 249.310 2.058 20 0 BEADMN Cc1nc(Cc2ccc3[nH]nnc3c2)cs1 ZINC001250195261 967507477 /nfs/dbraw/zinc/50/74/77/967507477.db2.gz NHGXOJNRAIGISU-UHFFFAOYSA-N 0 1 230.296 2.314 20 0 BEADMN Cc1nc(Cc2ccc3nn[nH]c3c2)cs1 ZINC001250195261 967507488 /nfs/dbraw/zinc/50/74/88/967507488.db2.gz NHGXOJNRAIGISU-UHFFFAOYSA-N 0 1 230.296 2.314 20 0 BEADMN CC(=O)c1ccc2c(c1)C[N@@H+](CCCC(=O)[O-])C2 ZINC000058011811 967540017 /nfs/dbraw/zinc/54/00/17/967540017.db2.gz WPJQNMCIMOJFMQ-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN CC(=O)c1ccc2c(c1)C[N@H+](CCCC(=O)[O-])C2 ZINC000058011811 967540020 /nfs/dbraw/zinc/54/00/20/967540020.db2.gz WPJQNMCIMOJFMQ-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN Clc1ccsc1CN1CCN2CC[C@H]2C1 ZINC001205354096 967577675 /nfs/dbraw/zinc/57/76/75/967577675.db2.gz RWOKBSMFGPZEBB-VIFPVBQESA-N 0 1 242.775 2.291 20 0 BEADMN Cc1cc(C)c(CCN2CCOCC2)c(C)c1 ZINC001250274669 967599068 /nfs/dbraw/zinc/59/90/68/967599068.db2.gz PNJRZSACKQPTOF-UHFFFAOYSA-N 0 1 233.355 2.487 20 0 BEADMN COCCCc1ccc2n[nH]c(C)c2c1 ZINC001250300167 967638527 /nfs/dbraw/zinc/63/85/27/967638527.db2.gz MFRNNKCYFFCZPK-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN Clc1cccc2c1C[C@@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001168735373 967694589 /nfs/dbraw/zinc/69/45/89/967694589.db2.gz RPSRCANAEWAFFB-SRVKXCTJSA-N 0 1 249.741 2.280 20 0 BEADMN c1cc(Nc2ccc3cncn3c2)no1 ZINC001250322822 967701034 /nfs/dbraw/zinc/70/10/34/967701034.db2.gz NKRQPEQMJAZPLJ-UHFFFAOYSA-N 0 1 200.201 2.066 20 0 BEADMN Nc1ccn(-c2ccc3cncn3c2)c2nccc1-2 ZINC001250324283 967701941 /nfs/dbraw/zinc/70/19/41/967701941.db2.gz QZGMMWUAOJHWAU-UHFFFAOYSA-N 0 1 249.277 2.207 20 0 BEADMN Cc1ccc(O)c(Nc2ccc3cncn3c2)n1 ZINC001250323117 967702406 /nfs/dbraw/zinc/70/24/06/967702406.db2.gz CUKNXQBRWBIZBS-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN Cc1nsc(Nc2ccc3cncn3c2)n1 ZINC001250322509 967703336 /nfs/dbraw/zinc/70/33/36/967703336.db2.gz BKJFUFMWJICNEC-UHFFFAOYSA-N 0 1 231.284 2.238 20 0 BEADMN COC(=O)C1(C)CCC(NCC(C)(F)F)CC1 ZINC001168745268 967718402 /nfs/dbraw/zinc/71/84/02/967718402.db2.gz JFOHTRMMJBNYDZ-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@H](F)[C@@H](O)C2)c1 ZINC001205616990 967727948 /nfs/dbraw/zinc/72/79/48/967727948.db2.gz OPWIIHKIDVSPIU-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN CCCCNc1cncc2nc(C)[nH]c21 ZINC001162205888 967739367 /nfs/dbraw/zinc/73/93/67/967739367.db2.gz SOVHLMSKQDCSIS-UHFFFAOYSA-N 0 1 204.277 2.478 20 0 BEADMN Cc1[nH]nc2cc(Cc3ncccn3)ccc21 ZINC001250343745 967740175 /nfs/dbraw/zinc/74/01/75/967740175.db2.gz NMEWLFJKQWCIOF-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1ccc(F)c(CN2CC[N@H+]3CC[C@H]3C2)c1 ZINC001205670406 967754318 /nfs/dbraw/zinc/75/43/18/967754318.db2.gz OLZQQLNZTJTCMO-ZDUSSCGKSA-N 0 1 234.318 2.024 20 0 BEADMN Cc1cc(Cc2ccc3cncn3c2)on1 ZINC001250367296 967779205 /nfs/dbraw/zinc/77/92/05/967779205.db2.gz VSCDZKSZBBBNPU-UHFFFAOYSA-N 0 1 213.240 2.222 20 0 BEADMN Cc1ccnn1C1CCN(Cc2cnoc2)CC1 ZINC001205731951 967806056 /nfs/dbraw/zinc/80/60/56/967806056.db2.gz MZPLELRCPGMUGR-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1cccc(F)c1O ZINC001128824485 967822135 /nfs/dbraw/zinc/82/21/35/967822135.db2.gz KOQWKDSATBFROA-SNVBAGLBSA-N 0 1 237.274 2.450 20 0 BEADMN CC(C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250422787 967832860 /nfs/dbraw/zinc/83/28/60/967832860.db2.gz XMEWAFPCYJHEHM-UHFFFAOYSA-N 0 1 231.255 2.017 20 0 BEADMN c1c2c(cc3[nH]c(C4CC4)nc13)OCC2 ZINC001250427077 967843776 /nfs/dbraw/zinc/84/37/76/967843776.db2.gz PJLDUKIXPJTLDG-UHFFFAOYSA-N 0 1 200.241 2.375 20 0 BEADMN Cc1cc2nc([C@H]3CCC(=O)N3)[nH]c2c(C)c1 ZINC001250431916 967850462 /nfs/dbraw/zinc/85/04/62/967850462.db2.gz VXFRJIOBCOLABA-SECBINFHSA-N 0 1 229.283 2.131 20 0 BEADMN COCOc1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC001250433606 967851273 /nfs/dbraw/zinc/85/12/73/967851273.db2.gz SIKZSXHLTDPJLR-SECBINFHSA-N 0 1 248.282 2.050 20 0 BEADMN Cc1cnccc1CN1CCOC[C@H]1C(C)C ZINC001205862832 967864045 /nfs/dbraw/zinc/86/40/45/967864045.db2.gz OFKHXKHDLBOIJY-AWEZNQCLSA-N 0 1 234.343 2.247 20 0 BEADMN CCCn1c2cc(F)ccc2nc1-c1c[nH]nn1 ZINC001250441140 967863999 /nfs/dbraw/zinc/86/39/99/967863999.db2.gz ILHARRALBWTHMG-UHFFFAOYSA-N 0 1 245.261 2.371 20 0 BEADMN CCn1c(-c2c[nH]nn2)nc2ccc(F)c(F)c21 ZINC001250441495 967865075 /nfs/dbraw/zinc/86/50/75/967865075.db2.gz QHASMRUPFPECAU-UHFFFAOYSA-N 0 1 249.224 2.120 20 0 BEADMN Cc1ccnc(F)c1-n1c(N)nc2ccccc21 ZINC001212554549 967870449 /nfs/dbraw/zinc/87/04/49/967870449.db2.gz ZVPSWADQPPXSIF-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C[C@@H]1C ZINC001205881486 967871822 /nfs/dbraw/zinc/87/18/22/967871822.db2.gz FAYMBECNLZGEJT-SMDDNHRTSA-N 0 1 249.358 2.075 20 0 BEADMN CO[C@@H]1CCN(Cc2cn(C3CC3)cn2)C[C@@H]1C ZINC001205881486 967871830 /nfs/dbraw/zinc/87/18/30/967871830.db2.gz FAYMBECNLZGEJT-SMDDNHRTSA-N 0 1 249.358 2.075 20 0 BEADMN CCn1c2ccc(Cl)cc2nc1-c1c[nH]nn1 ZINC001250446568 967873146 /nfs/dbraw/zinc/87/31/46/967873146.db2.gz RYNQLETWMOQQIX-UHFFFAOYSA-N 0 1 247.689 2.495 20 0 BEADMN Fc1cc(Cl)cc2[nH]c(-c3c[nH]nn3)nc21 ZINC001250446804 967873759 /nfs/dbraw/zinc/87/37/59/967873759.db2.gz XZMYXRWQTGDZOU-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN Cc1ccnc(-c2ccc3cncn3c2)n1 ZINC001250455890 967879529 /nfs/dbraw/zinc/87/95/29/967879529.db2.gz PAVGTIYPBNFUJA-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ncc[nH]3)nc21 ZINC001250471411 967895127 /nfs/dbraw/zinc/89/51/27/967895127.db2.gz KBNJKOPEMSMBQF-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Oc1c(F)cc(-c2ccnc3ccnn32)cc1F ZINC001250481375 967929313 /nfs/dbraw/zinc/92/93/13/967929313.db2.gz OQQDPIJUKOOCMT-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@H](CC)C(=O)[O-] ZINC000308523966 967930080 /nfs/dbraw/zinc/93/00/80/967930080.db2.gz ZTWIFEZWSVXZGE-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1[nH]nc2cc(-c3ccncn3)ccc21 ZINC001250493243 967966125 /nfs/dbraw/zinc/96/61/25/967966125.db2.gz ODMMHBLKLJIAIK-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1c[nH]c2ncc(Nc3cncn3C)cc12 ZINC001206027765 967980116 /nfs/dbraw/zinc/98/01/16/967980116.db2.gz GAABECDLONELRF-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Oc1ccc(-c2cc3[nH]cnc3cn2)c(F)c1 ZINC001206029706 967996367 /nfs/dbraw/zinc/99/63/67/967996367.db2.gz GALVSSAKGVGANS-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CN(C)c1ccc2nc(-c3ncccn3)[nH]c2c1 ZINC001250523219 968030962 /nfs/dbraw/zinc/03/09/62/968030962.db2.gz BOABWJGMQSYGEY-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COC(OC)c1nc2ccc3ncccc3c2[nH]1 ZINC001250539895 968044240 /nfs/dbraw/zinc/04/42/40/968044240.db2.gz BDZQGIGMIZIADP-UHFFFAOYSA-N 0 1 243.266 2.403 20 0 BEADMN COC(OC)c1nc2c([nH]1)c(F)c(F)cc2F ZINC001250540657 968048178 /nfs/dbraw/zinc/04/81/78/968048178.db2.gz ODVIQPNLZYERIK-UHFFFAOYSA-N 0 1 246.188 2.272 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@H]1C(=O)[O-] ZINC000380866542 968085475 /nfs/dbraw/zinc/08/54/75/968085475.db2.gz WURVNUCXPSRPDZ-GRYCIOLGSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)SCC[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000383188596 968109087 /nfs/dbraw/zinc/10/90/87/968109087.db2.gz TUKBJBXERNQDDD-VIFPVBQESA-N 0 1 231.361 2.066 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)[nH]1 ZINC001118305892 968114233 /nfs/dbraw/zinc/11/42/33/968114233.db2.gz FRVHGFLRGYGKFH-VHSXEESVSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2C[C@H]2C2CCCC2)n1 ZINC001118305892 968114236 /nfs/dbraw/zinc/11/42/36/968114236.db2.gz FRVHGFLRGYGKFH-VHSXEESVSA-N 0 1 248.330 2.132 20 0 BEADMN CCOc1ccc2nc(CCOC)[nH]c2c1 ZINC001250596466 968131512 /nfs/dbraw/zinc/13/15/12/968131512.db2.gz WTJPYHXEIKOALJ-UHFFFAOYSA-N 0 1 220.272 2.151 20 0 BEADMN COCc1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC001250602710 968148084 /nfs/dbraw/zinc/14/80/84/968148084.db2.gz KLCWIRXVSZPBRH-UHFFFAOYSA-N 0 1 246.245 2.034 20 0 BEADMN Cc1cc2nc(CCC3OCCO3)[nH]c2c(C)c1 ZINC001250608185 968154710 /nfs/dbraw/zinc/15/47/10/968154710.db2.gz OZPACUSUYDLTTF-UHFFFAOYSA-N 0 1 246.310 2.485 20 0 BEADMN Fc1ccc2nc(CCC3OCCO3)[nH]c2c1 ZINC001250607855 968155080 /nfs/dbraw/zinc/15/50/80/968155080.db2.gz GKRQJVQKKPTXEF-UHFFFAOYSA-N 0 1 236.246 2.008 20 0 BEADMN COc1cc2[nH]c(-c3cncnc3)nc2cc1C ZINC001250664553 968193613 /nfs/dbraw/zinc/19/36/13/968193613.db2.gz SHMNKMQTYJXWNZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1c2[nH]c(-c3nccnc3N)nc2ccc1F ZINC001250834663 968207272 /nfs/dbraw/zinc/20/72/72/968207272.db2.gz CGJUKPXKBKDZGP-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ccncn3)nc21 ZINC001250864059 968208840 /nfs/dbraw/zinc/20/88/40/968208840.db2.gz SMRJXRZDOPOPFN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1nccc(-c2nc3cccc(C)c3[nH]2)n1 ZINC001250895989 968215153 /nfs/dbraw/zinc/21/51/53/968215153.db2.gz RFWRKOXFRIMPRH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1ccc2nc(-c3csnn3)[nH]c2c1 ZINC001250924621 968218206 /nfs/dbraw/zinc/21/82/06/968218206.db2.gz JEGNZXYWJDOJHB-UHFFFAOYSA-N 0 1 246.295 2.480 20 0 BEADMN COc1ccnc(Nc2ccccc2N)c1 ZINC001206309405 968218179 /nfs/dbraw/zinc/21/81/79/968218179.db2.gz YEKAVYJLINNSBH-UHFFFAOYSA-N 0 1 215.256 2.416 20 0 BEADMN CC(C)(C)N1CC(OCc2cccnc2)C1 ZINC001206316925 968222651 /nfs/dbraw/zinc/22/26/51/968222651.db2.gz GVWNFJNLWCPFMF-UHFFFAOYSA-N 0 1 220.316 2.081 20 0 BEADMN CC[C@@H](NC[C@H](O)C(F)(F)F)c1ccccn1 ZINC001250991432 968238370 /nfs/dbraw/zinc/23/83/70/968238370.db2.gz JUZOAXYYNZXDOZ-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1(C)CCC1 ZINC000397060649 968241627 /nfs/dbraw/zinc/24/16/27/968241627.db2.gz WWQKWZIJDPNZAN-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN COc1cc2nc(-c3c[nH]c(C)n3)[nH]c2cc1F ZINC001251115079 968266635 /nfs/dbraw/zinc/26/66/35/968266635.db2.gz ZZWMQSSZLOOGCL-UHFFFAOYSA-N 0 1 246.245 2.409 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](CCCCC(=O)[O-])C[C@H]1C ZINC000399577057 968292264 /nfs/dbraw/zinc/29/22/64/968292264.db2.gz QLHJEZVQRPQVKG-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN Fc1cc(Cl)cc2[nH]c(-c3nnc[nH]3)nc21 ZINC001251632090 968294159 /nfs/dbraw/zinc/29/41/59/968294159.db2.gz BELNPEBANOPDDB-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN CSc1ccc2nc(-c3nc[nH]n3)[nH]c2c1 ZINC001251632285 968296312 /nfs/dbraw/zinc/29/63/12/968296312.db2.gz MSAUEPVXEHZHMU-UHFFFAOYSA-N 0 1 231.284 2.070 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2=CCCC2)[C@@H]1C(=O)[O-] ZINC000401122174 968301014 /nfs/dbraw/zinc/30/10/14/968301014.db2.gz OEYVNRUECIBSCO-JQWIXIFHSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1ccc(CNc2cc(C(=O)[O-])cc[nH+]2)nc1 ZINC000400994535 968301097 /nfs/dbraw/zinc/30/10/97/968301097.db2.gz RPCMAPMUPYDDMW-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN COc1ccc2c(c1)CN(C[C@H](C)OC)C2 ZINC001206457591 968318420 /nfs/dbraw/zinc/31/84/20/968318420.db2.gz WIASGNKBHIODMB-JTQLQIEISA-N 0 1 221.300 2.046 20 0 BEADMN CC[C@@H](C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320496087 1169918231 /nfs/dbraw/zinc/91/82/31/1169918231.db2.gz OUJZPIUFMCUZSB-MWLCHTKSSA-N 0 1 235.331 2.392 20 0 BEADMN CN(C)c1cccc(N(C)C(C)(C)C)n1 ZINC001166529753 968321387 /nfs/dbraw/zinc/32/13/87/968321387.db2.gz JVQGHEFGQPIXHU-UHFFFAOYSA-N 0 1 207.321 2.382 20 0 BEADMN CC(C)(C)Oc1ncccc1-n1cncc1N ZINC001206494849 968338127 /nfs/dbraw/zinc/33/81/27/968338127.db2.gz KNSLNRAOVSDOMQ-UHFFFAOYSA-N 0 1 232.287 2.027 20 0 BEADMN Cc1nonc1-c1nc2ccc(F)cc2[nH]1 ZINC001251802757 968339203 /nfs/dbraw/zinc/33/92/03/968339203.db2.gz VRSCOYIORXIVIH-UHFFFAOYSA-N 0 1 218.191 2.060 20 0 BEADMN CCOc1ccc2nc(-c3nonc3C)[nH]c2c1 ZINC001251802580 968341760 /nfs/dbraw/zinc/34/17/60/968341760.db2.gz QUXBMGDROASILV-UHFFFAOYSA-N 0 1 244.254 2.320 20 0 BEADMN COc1cccnc1CN1CCC(C)(F)CC1 ZINC001206610498 968418619 /nfs/dbraw/zinc/41/86/19/968418619.db2.gz IJKUILMWPPBQBW-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN COc1cccnc1CN1CCCC[C@H]1C ZINC001206610752 968420131 /nfs/dbraw/zinc/42/01/31/968420131.db2.gz LWIVGIBEWAUQCO-LLVKDONJSA-N 0 1 220.316 2.465 20 0 BEADMN CSc1cc(NC[C@@H](O)c2ccccc2)[nH]n1 ZINC001251979911 968421267 /nfs/dbraw/zinc/42/12/67/968421267.db2.gz KIVHMEXDNCTYSB-SNVBAGLBSA-N 0 1 249.339 2.277 20 0 BEADMN O[C@@H](CNCOc1ccccc1)c1ccccc1 ZINC001252012651 968435468 /nfs/dbraw/zinc/43/54/68/968435468.db2.gz FLAWKHFKMZFYCE-HNNXBMFYSA-N 0 1 243.306 2.346 20 0 BEADMN O[C@@H](CNCc1cc(F)ccn1)c1ccccc1 ZINC001252013005 968436531 /nfs/dbraw/zinc/43/65/31/968436531.db2.gz JTIHRCLDHBSJKS-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN COc1cc(C)ccc1CN1CC=CC1 ZINC001206742132 968452098 /nfs/dbraw/zinc/45/20/98/968452098.db2.gz WTVXRXJIWMFQAV-UHFFFAOYSA-N 0 1 203.285 2.375 20 0 BEADMN Nc1nc2ccccc2n1-c1cc(O)cc(F)c1 ZINC001206760147 968456868 /nfs/dbraw/zinc/45/68/68/968456868.db2.gz INCORZKXAKTRDJ-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Cc1cc(-c2cc(F)c(O)cc2F)ncn1 ZINC001206755596 968457821 /nfs/dbraw/zinc/45/78/21/968457821.db2.gz NIBJTUBCNZEEOX-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Oc1cc(F)c(-c2ccc(=S)[nH]n2)cc1F ZINC001206767788 968462302 /nfs/dbraw/zinc/46/23/02/968462302.db2.gz KBVLZQFAKALPJY-UHFFFAOYSA-N 0 1 240.234 2.416 20 0 BEADMN Cc1nc(CN2CCC[C@H](O)[C@@H](C)C2)cs1 ZINC001206798077 968482543 /nfs/dbraw/zinc/48/25/43/968482543.db2.gz AKAZVGXEVHJKBG-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN COCC[C@H]1CCCCN1Cc1cc(C)on1 ZINC001206818822 968488198 /nfs/dbraw/zinc/48/81/98/968488198.db2.gz ICSPFVMFQQEIAK-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1cc(CN2C[C@H](C)CC23CC3)no1 ZINC001206821273 968491240 /nfs/dbraw/zinc/49/12/40/968491240.db2.gz UKLIEEZXEYPTAY-SECBINFHSA-N 0 1 206.289 2.357 20 0 BEADMN CCCC[C@H](O)CNc1cnc2ccccn12 ZINC001252079652 968495694 /nfs/dbraw/zinc/49/56/94/968495694.db2.gz PXMKWFUEOQSWGC-NSHDSACASA-N 0 1 233.315 2.297 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001206847347 968497599 /nfs/dbraw/zinc/49/75/99/968497599.db2.gz WKZJLZHLEFIAPT-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cc(C)ccn2)C1 ZINC001206853747 968500854 /nfs/dbraw/zinc/50/08/54/968500854.db2.gz ZJLOCRSYHZALIV-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Fc1cncc(F)c1CN1CCC[C@H]2C[C@H]21 ZINC001206860130 968504913 /nfs/dbraw/zinc/50/49/13/968504913.db2.gz SHTSMUXMHGQHCG-QPUJVOFHSA-N 0 1 224.254 2.344 20 0 BEADMN Cc1ncsc1CN1CC2(C1)CCOCC2 ZINC001206989663 968528202 /nfs/dbraw/zinc/52/82/02/968528202.db2.gz LFRCRPVVZXQFQS-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Fc1cccnc1CN1CCC2(CC2)C1 ZINC001207030256 968562210 /nfs/dbraw/zinc/56/22/10/968562210.db2.gz YSALREWEVKNLQM-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H](C)CC(C)C)c1C ZINC000716192954 968565442 /nfs/dbraw/zinc/56/54/42/968565442.db2.gz GRBAMUDGADRFHJ-VIFPVBQESA-N 0 1 237.347 2.325 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CCCC[C@@H]2C)c1C ZINC000716199380 968565880 /nfs/dbraw/zinc/56/58/80/968565880.db2.gz MORVIZLHQLLGIP-JOYOIKCWSA-N 0 1 249.358 2.469 20 0 BEADMN Fc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)nc1 ZINC001207039128 968572740 /nfs/dbraw/zinc/57/27/40/968572740.db2.gz ZIQFKFLJVJXHGO-KCJUWKMLSA-N 0 1 242.244 2.308 20 0 BEADMN CCCC[C@@H](O)CN1CCc2ncc(C)cc2C1 ZINC001252095714 968573540 /nfs/dbraw/zinc/57/35/40/968573540.db2.gz DZOCBIIPAFMEMO-CQSZACIVSA-N 0 1 248.370 2.299 20 0 BEADMN c1nc(CN2CC3CC(C3)C2)n2ccccc12 ZINC001207054430 968584382 /nfs/dbraw/zinc/58/43/82/968584382.db2.gz LWIKEOUSEXBBBA-UHFFFAOYSA-N 0 1 227.311 2.176 20 0 BEADMN CCCC[C@@H](O)CNCc1noc2ccccc12 ZINC001252117522 968603224 /nfs/dbraw/zinc/60/32/24/968603224.db2.gz FABVIXMZHIWJTF-LLVKDONJSA-N 0 1 248.326 2.469 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccnc(CC)n2)C1 ZINC001207087069 968619134 /nfs/dbraw/zinc/61/91/34/968619134.db2.gz XRHYHROSNCQRSX-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1nccc(CN2CCCC[C@@H]2COC)n1 ZINC001207085314 968619519 /nfs/dbraw/zinc/61/95/19/968619519.db2.gz XXDDDLKZTFMCAJ-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN c1nc2cncc(-c3cnc(C4CC4)nc3)c2[nH]1 ZINC001240686092 968636150 /nfs/dbraw/zinc/63/61/50/968636150.db2.gz IJETXZBSFHTEEV-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN Cc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001207148594 968661690 /nfs/dbraw/zinc/66/16/90/968661690.db2.gz VZIQVJGLJVBGCP-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN Cc1ncccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001207148594 968661692 /nfs/dbraw/zinc/66/16/92/968661692.db2.gz VZIQVJGLJVBGCP-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN Cc1ncccc1CN1CCc2ccncc2C1 ZINC001207155043 968665714 /nfs/dbraw/zinc/66/57/14/968665714.db2.gz JIKDFGDTQUWMJS-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccnn1C(C)C ZINC001207171065 968681370 /nfs/dbraw/zinc/68/13/70/968681370.db2.gz PIFBYBMCKZUSLU-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CC(=O)[C@@H]1CCCN1CCOCc1ccccc1 ZINC001207237711 968687704 /nfs/dbraw/zinc/68/77/04/968687704.db2.gz OIUBJHZKEFSODA-HNNXBMFYSA-N 0 1 247.338 2.257 20 0 BEADMN CC(C)S(=O)(=O)Nc1cnc(C2CC2)s1 ZINC001252434318 968687979 /nfs/dbraw/zinc/68/79/79/968687979.db2.gz YFFKKCMXTGAHOW-UHFFFAOYSA-N 0 1 246.357 2.171 20 0 BEADMN CCSC[C@H](C)NCc1cc(C)on1 ZINC000720389956 968713992 /nfs/dbraw/zinc/71/39/92/968713992.db2.gz KHZGCQXEZOQOMO-QMMMGPOBSA-N 0 1 214.334 2.214 20 0 BEADMN CC1(C)C[C@@H](CN2CC3(C2)CCCO3)CCO1 ZINC001207353305 968730987 /nfs/dbraw/zinc/73/09/87/968730987.db2.gz FSRJBZBIHRERRD-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085460787 968738318 /nfs/dbraw/zinc/73/83/18/968738318.db2.gz PRZVOZJRAHPAQO-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085467746 968742985 /nfs/dbraw/zinc/74/29/85/968742985.db2.gz ZYXQNGQDYVXHHO-CQSZACIVSA-N 0 1 246.354 2.161 20 0 BEADMN COc1ccccc1CCN1CCOC(C)(C)C1 ZINC001207451263 968774376 /nfs/dbraw/zinc/77/43/76/968774376.db2.gz CCNHWGBQDGHJKA-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccccc1CCN1CCCC12COC2 ZINC001207455996 968778407 /nfs/dbraw/zinc/77/84/07/968778407.db2.gz IXCQBXBMNBKSFL-UHFFFAOYSA-N 0 1 247.338 2.103 20 0 BEADMN COc1ccccc1CCN1CCC[C@H]1C(C)=O ZINC001207457970 968779551 /nfs/dbraw/zinc/77/95/51/968779551.db2.gz JZLNYQGQGISSOU-AWEZNQCLSA-N 0 1 247.338 2.291 20 0 BEADMN COc1ccccc1CCN1CCOCC1(C)C ZINC001207456511 968780092 /nfs/dbraw/zinc/78/00/92/968780092.db2.gz SDTBDIIJPXWERE-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN F[C@@H]1CN(C[C@H]2CCCOC2)CCC1(F)F ZINC001207461594 968782789 /nfs/dbraw/zinc/78/27/89/968782789.db2.gz NDFJFENKQCUERY-NXEZZACHSA-N 0 1 237.265 2.092 20 0 BEADMN Fc1ccccc1CCN1CC2(C1)CCOC2 ZINC001207496741 968805977 /nfs/dbraw/zinc/80/59/77/968805977.db2.gz FVQVGFOZEPVLPM-UHFFFAOYSA-N 0 1 235.302 2.091 20 0 BEADMN CC(=O)[C@@H]1CCCN1CCc1ccc(F)cc1 ZINC001207519809 968815393 /nfs/dbraw/zinc/81/53/93/968815393.db2.gz ZNJAKUARGNLASK-AWEZNQCLSA-N 0 1 235.302 2.422 20 0 BEADMN Oc1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001240924831 968818439 /nfs/dbraw/zinc/81/84/39/968818439.db2.gz VFULIZOQQWJGKM-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001240924831 968818446 /nfs/dbraw/zinc/81/84/46/968818446.db2.gz VFULIZOQQWJGKM-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN COc1ccc(CCCN2CC(C)(OC)C2)cc1 ZINC001207572100 968822793 /nfs/dbraw/zinc/82/27/93/968822793.db2.gz IZADCHRIICXSQS-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN COC1(C)CN(CCCc2cccc(F)c2)C1 ZINC001207599445 968826101 /nfs/dbraw/zinc/82/61/01/968826101.db2.gz OTUCTOZQICMAIK-UHFFFAOYSA-N 0 1 237.318 2.479 20 0 BEADMN Cc1ncc2n1CCN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620852 968840843 /nfs/dbraw/zinc/84/08/43/968840843.db2.gz WXJSVXNQYGFFNL-BFHYXJOUSA-N 0 1 243.354 2.219 20 0 BEADMN Cc1ncc2n1CCN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620878 968841758 /nfs/dbraw/zinc/84/17/58/968841758.db2.gz WXJSVXNQYGFFNL-MJBXVCDLSA-N 0 1 243.354 2.219 20 0 BEADMN c1coc(CN(C[C@H]2CCCO2)C2CC2)c1 ZINC001207887712 968913453 /nfs/dbraw/zinc/91/34/53/968913453.db2.gz QTVUKFMEYWLXKF-CYBMUJFWSA-N 0 1 221.300 2.423 20 0 BEADMN C[C@@H](CN1CC[C@@H](O)[C@H](F)C1)c1ccccc1 ZINC001207899473 968916120 /nfs/dbraw/zinc/91/61/20/968916120.db2.gz BOUWXZMRCRBSEV-IACUBPJLSA-N 0 1 237.318 2.195 20 0 BEADMN C[C@@H](CN1CC(N2CC(F)C2)C1)c1ccccc1 ZINC001207899597 968923024 /nfs/dbraw/zinc/92/30/24/968923024.db2.gz IBXJHMAKMKPPHF-LBPRGKRZSA-N 0 1 248.345 2.128 20 0 BEADMN C[C@H](CN1C[C@@H]2C[C@H]1CO2)c1ccccc1 ZINC001207909909 968924135 /nfs/dbraw/zinc/92/41/35/968924135.db2.gz GIAXZPNYWFPJQX-XBFCOCLRSA-N 0 1 217.312 2.263 20 0 BEADMN C[C@H](CN1CC(N2CC(F)C2)C1)c1ccccc1 ZINC001207899596 968925479 /nfs/dbraw/zinc/92/54/79/968925479.db2.gz IBXJHMAKMKPPHF-GFCCVEGCSA-N 0 1 248.345 2.128 20 0 BEADMN CCC[C@@H](O)CNc1nc2cccc(C)c2[nH]1 ZINC001252770283 968938458 /nfs/dbraw/zinc/93/84/58/968938458.db2.gz DJVJXOZWUHUIJH-SNVBAGLBSA-N 0 1 233.315 2.444 20 0 BEADMN c1cc2c(cn1)CN(C[C@H]1CCCCO1)CC2 ZINC001207956727 968952950 /nfs/dbraw/zinc/95/29/50/968952950.db2.gz NNFWIRSVLLEROT-CQSZACIVSA-N 0 1 232.327 2.009 20 0 BEADMN c1cnc2c(c1)CCN(C[C@H]1CCCCO1)C2 ZINC001207961135 968959189 /nfs/dbraw/zinc/95/91/89/968959189.db2.gz XKTFUTOBSPIHIC-CYBMUJFWSA-N 0 1 232.327 2.009 20 0 BEADMN c1cncc(C2CN(C[C@@H]3CCCCO3)C2)c1 ZINC001207960743 968960096 /nfs/dbraw/zinc/96/00/96/968960096.db2.gz UOQXETJYEKZCJG-AWEZNQCLSA-N 0 1 232.327 2.050 20 0 BEADMN CN1CC=C(c2cnc3[nH]ccc3c2F)CC1 ZINC001241322604 968976823 /nfs/dbraw/zinc/97/68/23/968976823.db2.gz PYDMCAXWDPRFIB-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN CN1CC=C(c2ccnc(F)c2F)CC1 ZINC001241326890 968982051 /nfs/dbraw/zinc/98/20/51/968982051.db2.gz ABQGOJFQAZQMHF-UHFFFAOYSA-N 0 1 210.227 2.079 20 0 BEADMN O[C@@H](CN1CC2(CCC2)C1)c1ccc(F)cc1 ZINC001252840091 969033037 /nfs/dbraw/zinc/03/30/37/969033037.db2.gz LLXLRXDAMCIXFI-ZDUSSCGKSA-N 0 1 235.302 2.345 20 0 BEADMN CC/C=C\CCCN1CC(=O)N2CCC[C@H]2C1 ZINC001208136375 969043473 /nfs/dbraw/zinc/04/34/73/969043473.db2.gz WJHSUWNFAHFMRC-SCOBNMCVSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1cnc(C2=CCCN(C)C2)nc1NC(C)C ZINC001241566478 969055872 /nfs/dbraw/zinc/05/58/72/969055872.db2.gz XBPXJDUYRFFSRT-UHFFFAOYSA-N 0 1 246.358 2.324 20 0 BEADMN CSc1ncc(-c2nccc3[nH]cnc32)cn1 ZINC001241626235 969070542 /nfs/dbraw/zinc/07/05/42/969070542.db2.gz VPMPVTCFMPAZNR-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN CC/C=C\CCCCCN1CCO[C@@H](CO)C1 ZINC001208188587 969118098 /nfs/dbraw/zinc/11/80/98/969118098.db2.gz KBIGLJFBBOHNED-VQTKUKTRSA-N 0 1 241.375 2.206 20 0 BEADMN CCCCC[C@@H](O)CNCc1nccs1 ZINC001253519421 969197036 /nfs/dbraw/zinc/19/70/36/969197036.db2.gz POPBTOQBNMMMRM-SNVBAGLBSA-N 0 1 228.361 2.174 20 0 BEADMN CCCCC[C@@H](O)CNc1[nH]nc2ncccc21 ZINC001253519735 969197498 /nfs/dbraw/zinc/19/74/98/969197498.db2.gz GBVVZGPVJSYRHR-SNVBAGLBSA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@H](O)CN[C@H](C)c1ncc[nH]1 ZINC001253520141 969197906 /nfs/dbraw/zinc/19/79/06/969197906.db2.gz UERQIIHEAOMWSD-MNOVXSKESA-N 0 1 225.336 2.002 20 0 BEADMN C(=C/c1ncnc2c1CNC2)\Cc1ccccc1 ZINC001242138779 969209421 /nfs/dbraw/zinc/20/94/21/969209421.db2.gz XKVGMBRHVDQOJD-XBXARRHUSA-N 0 1 237.306 2.336 20 0 BEADMN CC/C=C\CCN1CCn2c(C)ncc2C1 ZINC001208726394 969211312 /nfs/dbraw/zinc/21/13/12/969211312.db2.gz VGVMXYDNCIJWDY-PLNGDYQASA-N 0 1 219.332 2.363 20 0 BEADMN CCCCC[C@@H](O)CNc1ccc2nn[nH]c2c1 ZINC001253543470 969216130 /nfs/dbraw/zinc/21/61/30/969216130.db2.gz DFDNXHRPKZFYCI-LLVKDONJSA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@@H](O)CNc1ccc2n[nH]nc2c1 ZINC001253543470 969216137 /nfs/dbraw/zinc/21/61/37/969216137.db2.gz DFDNXHRPKZFYCI-LLVKDONJSA-N 0 1 248.330 2.311 20 0 BEADMN CCCCC[C@H](O)CNCC(=O)c1ccccc1 ZINC001253549379 969219893 /nfs/dbraw/zinc/21/98/93/969219893.db2.gz AFFRZZOHUIQZLK-AWEZNQCLSA-N 0 1 249.354 2.400 20 0 BEADMN CCCCC[C@H](O)CNCc1cc(C)no1 ZINC001253548484 969221290 /nfs/dbraw/zinc/22/12/90/969221290.db2.gz GNBFPPHOJLXXHQ-NSHDSACASA-N 0 1 226.320 2.014 20 0 BEADMN CCCCC[C@H](O)CNCc1cccnc1F ZINC001253552686 969223813 /nfs/dbraw/zinc/22/38/13/969223813.db2.gz ZLEDGGILSSGOHE-LBPRGKRZSA-N 0 1 240.322 2.252 20 0 BEADMN CN(CCc1ccc(Cl)cc1)C1COC1 ZINC001208740977 969227555 /nfs/dbraw/zinc/22/75/55/969227555.db2.gz LZBIBEPDWSPRDK-UHFFFAOYSA-N 0 1 225.719 2.213 20 0 BEADMN CCCCC[C@H](O)CN[C@H](C)c1cc[nH]n1 ZINC001253553881 969228484 /nfs/dbraw/zinc/22/84/84/969228484.db2.gz MKCSHYWNBCYQKU-MNOVXSKESA-N 0 1 225.336 2.002 20 0 BEADMN Cn1ccc2cc(NC3=CC[N@@H+](C)CC3)cnc21 ZINC001208742656 969234525 /nfs/dbraw/zinc/23/45/25/969234525.db2.gz WCGRGXNDBBPESN-UHFFFAOYSA-N 0 1 242.326 2.205 20 0 BEADMN CN1CC=C(NC2=NCC(=O)C=C2Cl)CC1 ZINC001208801943 969241862 /nfs/dbraw/zinc/24/18/62/969241862.db2.gz DUNKBGRBYLRXHU-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN COc1ccccc1CCCN1C[C@@H]2C[C@H]1CO2 ZINC001208839761 969256336 /nfs/dbraw/zinc/25/63/36/969256336.db2.gz YQKIVYLKZKOUKV-KBPBESRZSA-N 0 1 247.338 2.101 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccs1 ZINC001204017700 969260340 /nfs/dbraw/zinc/26/03/40/969260340.db2.gz YFCRLLUHLQFEPB-NSHDSACASA-N 0 1 209.314 2.302 20 0 BEADMN c1cnc2c(c1)CN(C[C@@H]1CCC=CO1)CC2 ZINC001208880163 969271966 /nfs/dbraw/zinc/27/19/66/969271966.db2.gz JHAZAVMRVQEQTO-ZDUSSCGKSA-N 0 1 230.311 2.132 20 0 BEADMN CN(C)c1nccc(-c2ccc(F)cc2O)n1 ZINC001242216060 969281350 /nfs/dbraw/zinc/28/13/50/969281350.db2.gz OEEVWJWZEMBOCL-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CCC(=O)C(C)(C)CN1CCOC[C@H]1CC ZINC001208921276 969304740 /nfs/dbraw/zinc/30/47/40/969304740.db2.gz ZNVDVYBKPOZBLG-LLVKDONJSA-N 0 1 227.348 2.103 20 0 BEADMN CCOC(=O)CCN1Cc2cccc(C)c2C1 ZINC001209033525 969326162 /nfs/dbraw/zinc/32/61/62/969326162.db2.gz PPEIRPBIYFIJQA-UHFFFAOYSA-N 0 1 233.311 2.264 20 0 BEADMN CCOC(C)(C)CN(C)Cc1cncs1 ZINC001209076577 969348202 /nfs/dbraw/zinc/34/82/02/969348202.db2.gz OSRDENDWUFTECT-UHFFFAOYSA-N 0 1 228.361 2.390 20 0 BEADMN Cc1cnc(CN)n1-c1cccc2c1ccn2C ZINC001169029846 969349848 /nfs/dbraw/zinc/34/98/48/969349848.db2.gz VJIJHCRAXSFHIR-UHFFFAOYSA-N 0 1 240.310 2.131 20 0 BEADMN c1cncc(CCCN2CCCCC23COC3)c1 ZINC001209179988 969372137 /nfs/dbraw/zinc/37/21/37/969372137.db2.gz LWINMTDLMQLUIV-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN COCCCCN1Cc2ccc(OC)cc2C1 ZINC001209218628 969404124 /nfs/dbraw/zinc/40/41/24/969404124.db2.gz RUNLBPWTDSTBDI-UHFFFAOYSA-N 0 1 235.327 2.437 20 0 BEADMN CC1(O)CN(CCCCOCc2ccccc2)C1 ZINC001209255414 969413919 /nfs/dbraw/zinc/41/39/19/969413919.db2.gz BUXHQSHPEXWRMS-UHFFFAOYSA-N 0 1 249.354 2.050 20 0 BEADMN COC1CN(CCCCOCc2ccccc2)C1 ZINC001209257033 969415149 /nfs/dbraw/zinc/41/51/49/969415149.db2.gz PXWURPFNSPFTOO-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CCCCN1CC(N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001323993742 1169936162 /nfs/dbraw/zinc/93/61/62/1169936162.db2.gz XFSPSXORHLTQJE-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@H](Nc1nccc(C)c1C)C(N)=O ZINC001169149797 969463095 /nfs/dbraw/zinc/46/30/95/969463095.db2.gz JSQXHPDZDBAEMZ-KWQFWETISA-N 0 1 235.331 2.010 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCC(F)(F)[C@H](F)C1 ZINC001209418627 969481914 /nfs/dbraw/zinc/48/19/14/969481914.db2.gz QXVMINQPTJVBBO-HRDYMLBCSA-N 0 1 207.239 2.322 20 0 BEADMN Cc1ccc(NCC2(CO)CCC2)nc1C ZINC001156272227 969521244 /nfs/dbraw/zinc/52/12/44/969521244.db2.gz NKEJDPCJGKTVIU-UHFFFAOYSA-N 0 1 220.316 2.273 20 0 BEADMN c1nc(CN2CCC3(CC3)C2)cc2c1OCCC2 ZINC001209501131 969528704 /nfs/dbraw/zinc/52/87/04/969528704.db2.gz BBNVYQDNJNLMMF-UHFFFAOYSA-N 0 1 244.338 2.393 20 0 BEADMN c1nc(CN2CCC[C@H]3C[C@H]32)cc2c1OCCC2 ZINC001209506239 969529838 /nfs/dbraw/zinc/52/98/38/969529838.db2.gz LTPLURLXRULFAT-SMDDNHRTSA-N 0 1 244.338 2.391 20 0 BEADMN CN(CCc1cccnc1)Cc1cncs1 ZINC001209550240 969537507 /nfs/dbraw/zinc/53/75/07/969537507.db2.gz VQWARTSXWKCJQO-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN COC1(C)CN(C2CCC(F)(F)CC2)C1 ZINC001254218341 969543240 /nfs/dbraw/zinc/54/32/40/969543240.db2.gz FBUAAQBCOTUNSH-UHFFFAOYSA-N 0 1 219.275 2.285 20 0 BEADMN COCC[C@H]1CCCC[N@H+]1Cc1ccon1 ZINC001209564916 969546913 /nfs/dbraw/zinc/54/69/13/969546913.db2.gz JBGOSMLPQQPDOO-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN COCC[C@H]1CCCCN1Cc1ccon1 ZINC001209564916 969546918 /nfs/dbraw/zinc/54/69/18/969546918.db2.gz JBGOSMLPQQPDOO-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN COCC[C@@H]1CCCC[N@H+]1Cc1ccon1 ZINC001209564917 969548894 /nfs/dbraw/zinc/54/88/94/969548894.db2.gz JBGOSMLPQQPDOO-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1ccon1 ZINC001209564917 969548899 /nfs/dbraw/zinc/54/88/99/969548899.db2.gz JBGOSMLPQQPDOO-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CC[C@@H](F)C1 ZINC001209586400 969565604 /nfs/dbraw/zinc/56/56/04/969565604.db2.gz ZZJYGHZCGOFCJU-SNVBAGLBSA-N 0 1 233.290 2.415 20 0 BEADMN Clc1cnc2[nH]cc(CN3CCC3)c2c1 ZINC001209593271 969566027 /nfs/dbraw/zinc/56/60/27/969566027.db2.gz XUIHRDDIOBAULF-UHFFFAOYSA-N 0 1 221.691 2.422 20 0 BEADMN COc1cc(C[N@H+]2CCC3(CC3)C2)ccn1 ZINC001209636434 969570926 /nfs/dbraw/zinc/57/09/26/969570926.db2.gz HTCDGSMLEYJCIN-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN Cc1cccc2c1CN(Cc1cnccc1N)C2 ZINC001209728455 969579519 /nfs/dbraw/zinc/57/95/19/969579519.db2.gz FGRFPLQRZNEDHJ-UHFFFAOYSA-N 0 1 239.322 2.318 20 0 BEADMN Nc1ccncc1CN1Cc2ccccc2C1 ZINC001209727072 969581080 /nfs/dbraw/zinc/58/10/80/969581080.db2.gz JFDHRKIHSJBYRT-UHFFFAOYSA-N 0 1 225.295 2.010 20 0 BEADMN C[C@@H]1CN(Cc2cn(C)c3ncccc23)C[C@@H]1F ZINC001209745377 969602456 /nfs/dbraw/zinc/60/24/56/969602456.db2.gz VOPYQLHXVAOVNX-MFKMUULPSA-N 0 1 247.317 2.363 20 0 BEADMN CCN(CC(=O)OC)C1CCC2(CC2)CC1 ZINC001254448967 969640185 /nfs/dbraw/zinc/64/01/85/969640185.db2.gz JFEBCVGKBBSMJC-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN c1cc(Nc2ccc3nc[nH]c3c2)no1 ZINC001209841070 969647219 /nfs/dbraw/zinc/64/72/19/969647219.db2.gz COKLUQKIDIBXCJ-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1nccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841620 969652972 /nfs/dbraw/zinc/65/29/72/969652972.db2.gz YCXAHZVMCCCWLN-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1nn(C)cc1Nc1ccc2nc[nH]c2c1 ZINC001209841527 969653759 /nfs/dbraw/zinc/65/37/59/969653759.db2.gz UBXJAHZYOQPIOQ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1cc(C)c(Nc2ccnc(CO)c2)cn1 ZINC001209869798 969670804 /nfs/dbraw/zinc/67/08/04/969670804.db2.gz ZIPNQBROYVZFKQ-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN Cc1ncc(Nc2cnc(N)cc2C)s1 ZINC001209964708 969723634 /nfs/dbraw/zinc/72/36/34/969723634.db2.gz AISYSQSSFCUSNX-UHFFFAOYSA-N 0 1 220.301 2.481 20 0 BEADMN Cc1cc(N)ncc1Nc1cncc(N(C)C)c1 ZINC001209965148 969724774 /nfs/dbraw/zinc/72/47/74/969724774.db2.gz NMSHNABZJKNWTF-UHFFFAOYSA-N 0 1 243.314 2.177 20 0 BEADMN Cc1cc(N)ncc1Nc1cccnc1 ZINC001209962631 969726828 /nfs/dbraw/zinc/72/68/28/969726828.db2.gz XRQSXPPLAXHEMC-UHFFFAOYSA-N 0 1 200.245 2.111 20 0 BEADMN Cc1cnc(Cl)c(Nc2cnc(N)cc2C)n1 ZINC001209965642 969728514 /nfs/dbraw/zinc/72/85/14/969728514.db2.gz XJEOZFJVGXJFHQ-UHFFFAOYSA-N 0 1 249.705 2.468 20 0 BEADMN Cc1noc(C)c1Nc1cnc(N)cc1C ZINC001209966631 969729717 /nfs/dbraw/zinc/72/97/17/969729717.db2.gz BNVGAMCBLOIDQY-UHFFFAOYSA-N 0 1 218.260 2.321 20 0 BEADMN COc1ccc(Nc2cnc(N)cc2C)cc1O ZINC001209965974 969731701 /nfs/dbraw/zinc/73/17/01/969731701.db2.gz LHFCNPLHDGSUGT-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1cc(N)ncc1Nc1cn2ccccc2n1 ZINC001209968047 969735163 /nfs/dbraw/zinc/73/51/63/969735163.db2.gz VOOJMXJFLYKAAM-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1c(C(=O)N2CCC[C@@H]2C)ccc2cncn21 ZINC001254535533 969735152 /nfs/dbraw/zinc/73/51/52/969735152.db2.gz FHINFCHWBIBXTN-JTQLQIEISA-N 0 1 243.310 2.267 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(F)cc1CO ZINC001209969012 969736236 /nfs/dbraw/zinc/73/62/36/969736236.db2.gz HWJGGTFUHGMZEY-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CC(=O)c1cccnc1Nc1cnc(N)cc1C ZINC001209967306 969736975 /nfs/dbraw/zinc/73/69/75/969736975.db2.gz JRLHCWPJQNDBMS-UHFFFAOYSA-N 0 1 242.282 2.313 20 0 BEADMN FCCCCOC1CCN(CCF)CC1 ZINC001209969482 969737790 /nfs/dbraw/zinc/73/77/90/969737790.db2.gz QVKIGHNNNRNECY-UHFFFAOYSA-N 0 1 221.291 2.187 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(N)c1O ZINC001209972987 969739654 /nfs/dbraw/zinc/73/96/54/969739654.db2.gz RRVVLSDZZQMZOY-UHFFFAOYSA-N 0 1 230.271 2.004 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cnn(C)c1 ZINC001210100494 969797993 /nfs/dbraw/zinc/79/79/93/969797993.db2.gz XUMXJQRKYVQSFA-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCC(=O)Nc1cc(N[C@H]2CCCOC2)ccn1 ZINC001169670447 969805723 /nfs/dbraw/zinc/80/57/23/969805723.db2.gz IWBISYMODKKGDE-NSHDSACASA-N 0 1 249.314 2.021 20 0 BEADMN C/C=C(/C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC000350643031 969812871 /nfs/dbraw/zinc/81/28/71/969812871.db2.gz AKYXUKOFZHOBOF-QSADENFPSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@@H]1CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CCC1=O ZINC001254944449 969833663 /nfs/dbraw/zinc/83/36/63/969833663.db2.gz BNJXILGMXDGVFM-IJLUTSLNSA-N 0 1 249.354 2.045 20 0 BEADMN CC1(C)CN(C2C[C@H]3CC(=O)C[C@@H]3C2)CCC1=O ZINC001254956818 969840885 /nfs/dbraw/zinc/84/08/85/969840885.db2.gz OSKPLNHWNJCFTL-QWRGUYRKSA-N 0 1 249.354 2.045 20 0 BEADMN CC(=O)[C@H]1CCCC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254962046 969842104 /nfs/dbraw/zinc/84/21/04/969842104.db2.gz ZWLIUDUMKSYAHN-UKTARXLSSA-N 0 1 249.354 2.188 20 0 BEADMN c1ccc2c(c1)CC(N1CCOCC13CC3)C2 ZINC001255024891 969850740 /nfs/dbraw/zinc/85/07/40/969850740.db2.gz AQOYPFHSVSQPOI-UHFFFAOYSA-N 0 1 229.323 2.019 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C(C)C)c1 ZINC001210320926 969865963 /nfs/dbraw/zinc/86/59/63/969865963.db2.gz WDSGUOYFZJZURQ-UHFFFAOYSA-N 0 1 219.292 2.250 20 0 BEADMN CCc1nnc(-c2n[nH]c3c2cccc3OC)o1 ZINC001255072638 969871381 /nfs/dbraw/zinc/87/13/81/969871381.db2.gz CBMUFNDQCYCIEQ-UHFFFAOYSA-N 0 1 244.254 2.184 20 0 BEADMN CCc1nnc(-c2ccc3[nH]nc(C)c3c2)o1 ZINC001255073025 969871606 /nfs/dbraw/zinc/87/16/06/969871606.db2.gz HNVRSINQZDOQMI-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN CC(C)Oc1ccnc(NCc2cncnc2)c1 ZINC001156572057 969924201 /nfs/dbraw/zinc/92/42/01/969924201.db2.gz ACXSILSPBHIAIF-UHFFFAOYSA-N 0 1 244.298 2.271 20 0 BEADMN Cc1ncc(Nc2ccnn2C(C)C)n1C ZINC001210519624 969925321 /nfs/dbraw/zinc/92/53/21/969925321.db2.gz XSBFURIIDTZTTC-UHFFFAOYSA-N 0 1 219.292 2.250 20 0 BEADMN CCc1nnc(-c2cc(C(F)(F)F)n[nH]2)o1 ZINC001255114264 969940422 /nfs/dbraw/zinc/94/04/22/969940422.db2.gz NUGOPKVSKLLPFC-UHFFFAOYSA-N 0 1 232.165 2.041 20 0 BEADMN Cc1oncc1-n1c(N)nc2ccc(C)cc21 ZINC001210578140 969951186 /nfs/dbraw/zinc/95/11/86/969951186.db2.gz ANFHKCYPGHHZLJ-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN CC(C)(O)c1ccc(Nc2ccncc2)cc1 ZINC001210614227 969981132 /nfs/dbraw/zinc/98/11/32/969981132.db2.gz JYCPKPKWQKQCKD-UHFFFAOYSA-N 0 1 228.295 2.475 20 0 BEADMN CCOc1cncc(Nc2c(C)ncn2C)c1 ZINC001210662631 969993674 /nfs/dbraw/zinc/99/36/74/969993674.db2.gz HXFITKLLLLCWOP-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN Nc1cncn1-c1cnc2sccc2c1 ZINC001210692000 969999835 /nfs/dbraw/zinc/99/98/35/969999835.db2.gz ASXJWXQKIXCXKM-UHFFFAOYSA-N 0 1 216.269 2.064 20 0 BEADMN COc1nonc1Nc1cnc2sccc2c1 ZINC001210691516 970000135 /nfs/dbraw/zinc/00/01/35/970000135.db2.gz BNBMAKISPCHMDR-UHFFFAOYSA-N 0 1 248.267 2.432 20 0 BEADMN Nc1cncn1-c1cc(O)cc(C(F)(F)F)c1 ZINC001210823083 970049178 /nfs/dbraw/zinc/04/91/78/970049178.db2.gz VCWRJYBVZKMHEP-UHFFFAOYSA-N 0 1 243.188 2.179 20 0 BEADMN CCO[C@H]1CCCN(Cc2cccnc2NC)C1 ZINC000052731165 970066320 /nfs/dbraw/zinc/06/63/20/970066320.db2.gz MLOHNEKLVDOKGT-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN Cc1cc(NC[C@@H]2COCCN2)cc(C)c1C ZINC001170043598 970067219 /nfs/dbraw/zinc/06/72/19/970067219.db2.gz JBWSPHGFIMULQK-CQSZACIVSA-N 0 1 234.343 2.012 20 0 BEADMN Cn1cncc1Nc1c[nH]c2ncccc12 ZINC001210940657 970076974 /nfs/dbraw/zinc/07/69/74/970076974.db2.gz TVDHACXCFVSHFZ-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN CCN(C)c1cc(C)nc(N2CCC[C@@H]3C[C@@H]32)n1 ZINC001157132291 970097592 /nfs/dbraw/zinc/09/75/92/970097592.db2.gz LZEVVLJXMQKIFY-NEPJUHHUSA-N 0 1 246.358 2.230 20 0 BEADMN CCCCCN1CCN(C(=O)CC2CC2)CC1 ZINC001112595225 970098097 /nfs/dbraw/zinc/09/80/97/970098097.db2.gz GOLNIDOKAHGKEA-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC/C=C\CCN1CCN(C(=O)CCC)CC1 ZINC001112597229 970100903 /nfs/dbraw/zinc/10/09/03/970100903.db2.gz MXBYBOPULWWWBZ-WAYWQWQTSA-N 0 1 238.375 2.287 20 0 BEADMN CCOC(=O)[C@@H]1CCC[C@H](N2CC[C@@H](F)C2)C1 ZINC001255356218 970122343 /nfs/dbraw/zinc/12/23/43/970122343.db2.gz GLSIYKPHGMOTTO-UTUOFQBUSA-N 0 1 243.322 2.152 20 0 BEADMN COc1cc(C)ccc1-n1cnc(C)c1N ZINC001211114339 970149482 /nfs/dbraw/zinc/14/94/82/970149482.db2.gz BCPHCNSYRHPUCL-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CC(=O)N1CCN([C@@H](C)CCCC(C)C)CC1 ZINC001170076765 970173483 /nfs/dbraw/zinc/17/34/83/970173483.db2.gz APFJEQRAQRBLQX-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CCC[C@@H](C)N1C[C@@H](O)[C@@H](F)C1 ZINC001170078083 970179584 /nfs/dbraw/zinc/17/95/84/970179584.db2.gz PJFBBZHHASWPDV-GRYCIOLGSA-N 0 1 217.328 2.216 20 0 BEADMN CCCCN1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001112808570 970187929 /nfs/dbraw/zinc/18/79/29/970187929.db2.gz HPEABVCMFAAZPK-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1cc(F)ncc1Nc1cncn1C ZINC001211246039 970190422 /nfs/dbraw/zinc/19/04/22/970190422.db2.gz YIFZANBGGFZHIQ-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN COc1cc(Nc2cncn2C)cc(Cl)n1 ZINC001211247404 970194423 /nfs/dbraw/zinc/19/44/23/970194423.db2.gz ZBVCYUGDZCBGJR-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)[C@H](O)CC2 ZINC001211253332 970197429 /nfs/dbraw/zinc/19/74/29/970197429.db2.gz GFQZDVQHJBCPHJ-GFCCVEGCSA-N 0 1 229.283 2.143 20 0 BEADMN Cc1cc(N)c(F)cc1Nc1cncn1C ZINC001211252444 970197784 /nfs/dbraw/zinc/19/77/84/970197784.db2.gz NALJMQAKRDPQFC-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN COc1cnccc1Nc1cnc(F)cc1C ZINC001211256910 970198134 /nfs/dbraw/zinc/19/81/34/970198134.db2.gz DWZKCUJGJZYMAD-UHFFFAOYSA-N 0 1 233.246 2.098 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)[C@@H](O)CC2 ZINC001211253436 970200640 /nfs/dbraw/zinc/20/06/40/970200640.db2.gz GFQZDVQHJBCPHJ-LBPRGKRZSA-N 0 1 229.283 2.143 20 0 BEADMN Cn1cncc1Nc1cccc2snnc21 ZINC001211252670 970200945 /nfs/dbraw/zinc/20/09/45/970200945.db2.gz UCLWNQFNUBOTFF-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN Cn1cncc1Nc1cc(N)cc(Cl)c1 ZINC001211254697 970201074 /nfs/dbraw/zinc/20/10/74/970201074.db2.gz YLKGHPBSGWNDAW-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN COc1cnccc1Nc1cnn(C(C)(C)C)c1 ZINC001211258218 970205646 /nfs/dbraw/zinc/20/56/46/970205646.db2.gz ZAJZGJHVGOMLMX-UHFFFAOYSA-N 0 1 246.314 2.207 20 0 BEADMN COCc1cccc(Nc2ccncc2OC)c1 ZINC001211263885 970207355 /nfs/dbraw/zinc/20/73/55/970207355.db2.gz LXOXSIKTFYNSOJ-UHFFFAOYSA-N 0 1 244.294 2.402 20 0 BEADMN COCc1ccc(Nc2ccncc2OC)cc1 ZINC001211263521 970210142 /nfs/dbraw/zinc/21/01/42/970210142.db2.gz ATORPFYBLCDOSX-UHFFFAOYSA-N 0 1 244.294 2.402 20 0 BEADMN COc1cnccc1Nc1csc(C)n1 ZINC001211263042 970211107 /nfs/dbraw/zinc/21/11/07/970211107.db2.gz RAKBFMUOMRIDJZ-UHFFFAOYSA-N 0 1 221.285 2.021 20 0 BEADMN COc1cc(O)ccc1Nc1ccnc(CO)c1 ZINC001213093927 970276224 /nfs/dbraw/zinc/27/62/24/970276224.db2.gz WXCBYXUMRZUZDK-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN Cc1coc(CN[C@@H]2CCOC(C)(C)C2)n1 ZINC001255523886 970285246 /nfs/dbraw/zinc/28/52/46/970285246.db2.gz LDKDSDIONSMCLL-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN Cn1ncc(N)c1Nc1ccnc(C(C)(C)C)c1 ZINC001213164176 970287101 /nfs/dbraw/zinc/28/71/01/970287101.db2.gz KIDYDDBOEABWOQ-UHFFFAOYSA-N 0 1 245.330 2.438 20 0 BEADMN Nc1cncn1-c1ccc(OCC(F)F)cc1 ZINC001213303568 970300291 /nfs/dbraw/zinc/30/02/91/970300291.db2.gz ZTIDYTLHTFOLEF-UHFFFAOYSA-N 0 1 239.225 2.098 20 0 BEADMN COC[C@H](C)NCc1c(F)ccc(OC)c1F ZINC001255558638 970340049 /nfs/dbraw/zinc/34/00/49/970340049.db2.gz QIGUILAXDIPLGP-QMMMGPOBSA-N 0 1 245.269 2.098 20 0 BEADMN COC[C@H](C)N[C@@H]1COc2cc(Cl)ccc21 ZINC001255564938 970353760 /nfs/dbraw/zinc/35/37/60/970353760.db2.gz HTSNBDMVAMKEQE-GZMMTYOYSA-N 0 1 241.718 2.398 20 0 BEADMN CC(C)COc1cccc(Nc2nonc2N)c1 ZINC001213638090 970371072 /nfs/dbraw/zinc/37/10/72/970371072.db2.gz XNBGXRWUAXVQFJ-UHFFFAOYSA-N 0 1 248.286 2.430 20 0 BEADMN CCCONC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001328356475 1169946341 /nfs/dbraw/zinc/94/63/41/1169946341.db2.gz UQQGGOIRMHAYAT-GFCCVEGCSA-N 0 1 237.274 2.313 20 0 BEADMN COC(=O)c1c(F)cccc1Nc1nccn1C ZINC001214043640 970422274 /nfs/dbraw/zinc/42/22/74/970422274.db2.gz MTBLKCKSTDYAJG-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC001609642059 970432173 /nfs/dbraw/zinc/43/21/73/970432173.db2.gz BYGUSDSPZQDZCB-GXSJLCMTSA-N 0 1 235.283 2.280 20 0 BEADMN C[C@H]1CC[C@@H](N2CC(Oc3cccnc3)C2)C1 ZINC001170153218 970471220 /nfs/dbraw/zinc/47/12/20/970471220.db2.gz OPOYJNTUBIVBEI-NWDGAFQWSA-N 0 1 232.327 2.333 20 0 BEADMN Cc1ccc(C[C@H](C)N2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001255791860 970492485 /nfs/dbraw/zinc/49/24/85/970492485.db2.gz GOYAMUJITQFFLW-AEGPPILISA-N 0 1 231.339 2.399 20 0 BEADMN Cc1ccc(Nc2ccncc2)c(CO)c1 ZINC001214448406 970498519 /nfs/dbraw/zinc/49/85/19/970498519.db2.gz CFIICEFQWGBMGY-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN C[C@H](Cc1ccccc1F)N[C@H]1COC[C@@H]1F ZINC001255837007 970513162 /nfs/dbraw/zinc/51/31/62/970513162.db2.gz BHWNBCVEVBQWPC-ICCXJUOJSA-N 0 1 241.281 2.083 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(F)c1CO ZINC001214610158 970520908 /nfs/dbraw/zinc/52/09/08/970520908.db2.gz OANYCBWSEFYEKJ-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)N1C=C(N)C=CC1 ZINC001255865792 970528153 /nfs/dbraw/zinc/52/81/53/970528153.db2.gz YDWWANKDPBQOAJ-LLVKDONJSA-N 0 1 232.302 2.429 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)N1CCOC[C@@H]1C ZINC001255868494 970531086 /nfs/dbraw/zinc/53/10/86/970531086.db2.gz NKOCGTXZXYZMGP-RYUDHWBXSA-N 0 1 237.318 2.477 20 0 BEADMN Fc1cnc(CNC2CCCCCC2)nc1 ZINC001255877411 970536717 /nfs/dbraw/zinc/53/67/17/970536717.db2.gz AKHUSUAZQALDFX-UHFFFAOYSA-N 0 1 223.295 2.428 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)N(C)C1COC1 ZINC001255875140 970540313 /nfs/dbraw/zinc/54/03/13/970540313.db2.gz HJLYFIOLPMOFCU-JTQLQIEISA-N 0 1 223.291 2.087 20 0 BEADMN CCCOC1CN([C@H]2CCO[C@H](CC)C2)C1 ZINC001170217919 970588131 /nfs/dbraw/zinc/58/81/31/970588131.db2.gz CEIHMOLIKUYZSL-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H]1C[C@H](N2CCn3cccc3C2)CCO1 ZINC001170221148 970591583 /nfs/dbraw/zinc/59/15/83/970591583.db2.gz KDDNSFUFQAIJLS-OCCSQVGLSA-N 0 1 234.343 2.261 20 0 BEADMN COc1cccc(C[C@@H](C)N(C)CC(C)=O)c1 ZINC001256161716 970677081 /nfs/dbraw/zinc/67/70/81/970677081.db2.gz YYWTWMOEXKPNHI-LLVKDONJSA-N 0 1 235.327 2.147 20 0 BEADMN COc1cccc(C[C@@H](C)N2CCOC[C@@H]2C)c1 ZINC001256159889 970678271 /nfs/dbraw/zinc/67/82/71/970678271.db2.gz KJXRJVUQSSEALD-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN COc1cccc(C[C@H](C)N2CCO[C@H](C)C2)c1 ZINC001256159140 970679539 /nfs/dbraw/zinc/67/95/39/970679539.db2.gz FVICSPYNFNAMOQ-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN COc1cccc(C[C@@H](C)N2C[C@@H]3C[C@H]2CO3)c1 ZINC001256163157 970680883 /nfs/dbraw/zinc/68/08/83/970680883.db2.gz AXGONRBHEHYLFA-ZLDLUXBVSA-N 0 1 247.338 2.099 20 0 BEADMN CN(Cc1ccc(Cl)nc1)[C@@H]1CCCOC1 ZINC000401492514 970695401 /nfs/dbraw/zinc/69/54/01/970695401.db2.gz SKLDLOQOHBMMKW-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN CCc1nc(NC(=O)C=C2CCC(C)CC2)n[nH]1 ZINC000182284330 970695564 /nfs/dbraw/zinc/69/55/64/970695564.db2.gz ORGDCPUIHHPPIU-UHFFFAOYSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CCC(C)CC2)n1 ZINC000182284330 970695569 /nfs/dbraw/zinc/69/55/69/970695569.db2.gz ORGDCPUIHHPPIU-UHFFFAOYSA-N 0 1 248.330 2.442 20 0 BEADMN Cc1csc(CN2C[C@@H](CO)CC[C@@H]2C)n1 ZINC000305208866 970709154 /nfs/dbraw/zinc/70/91/54/970709154.db2.gz GRWGNPUADIHMJU-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000321143189 970748367 /nfs/dbraw/zinc/74/83/67/970748367.db2.gz YOABKMNKWVTXTA-LLVKDONJSA-N 0 1 223.272 2.027 20 0 BEADMN Nc1cc(-c2cc3[nH]cnc3cn2)ccc1F ZINC001243450608 970750223 /nfs/dbraw/zinc/75/02/23/970750223.db2.gz MGBSPQFCRLJKKP-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCCC(C)(C)C(=O)Nc1cccnc1CN ZINC001144123489 972602495 /nfs/dbraw/zinc/60/24/95/972602495.db2.gz SPBNAUCNYWNGRD-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN COc1ccc(O)cc1-c1nccc(N)c1C ZINC001222611058 972604518 /nfs/dbraw/zinc/60/45/18/972604518.db2.gz CQFWTZNVTANCRS-UHFFFAOYSA-N 0 1 230.267 2.353 20 0 BEADMN Cc1[nH+]c(N[C@@H]2CC[C@H]2C)ccc1C(=O)[O-] ZINC000393838169 972649243 /nfs/dbraw/zinc/64/92/43/972649243.db2.gz OGGDAVJIBDXZIN-GMSGAONNSA-N 0 1 220.272 2.299 20 0 BEADMN Cc1nc(CSCc2nnc[nH]2)sc1C ZINC001327714487 972710621 /nfs/dbraw/zinc/71/06/21/972710621.db2.gz NLGXPHYUFZHZEE-UHFFFAOYSA-N 0 1 240.357 2.311 20 0 BEADMN Oc1ccc(CN2CC(c3ccccc3)C2)nc1 ZINC001144265050 972723242 /nfs/dbraw/zinc/72/32/42/972723242.db2.gz JEGIZNMTRHVSDW-UHFFFAOYSA-N 0 1 240.306 2.387 20 0 BEADMN COC1(CCSc2nnc(C)[nH]2)CCC1 ZINC001327800593 972737290 /nfs/dbraw/zinc/73/72/90/972737290.db2.gz AFFOMHWDISQWOZ-UHFFFAOYSA-N 0 1 227.333 2.164 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 ZINC001144302605 972756855 /nfs/dbraw/zinc/75/68/55/972756855.db2.gz DTWHVABTAVGVOX-GRYCIOLGSA-N 0 1 247.342 2.161 20 0 BEADMN CCc1cccc(CN2CC(CC(=O)OC)C2)c1 ZINC001144323651 972759285 /nfs/dbraw/zinc/75/92/85/972759285.db2.gz KGCKZANYYVWNID-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1C(=O)[O-] ZINC000394951109 972768035 /nfs/dbraw/zinc/76/80/35/972768035.db2.gz KKUGWNMLQIBCJM-WCBMZHEXSA-N 0 1 247.285 2.074 20 0 BEADMN CCCN(Cc1nnc[nH]1)Cc1ccccc1F ZINC001327866518 972769956 /nfs/dbraw/zinc/76/99/56/972769956.db2.gz ZFSXKLNEAYXBLR-UHFFFAOYSA-N 0 1 248.305 2.356 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CC[C@H](C)C1 ZINC001144328170 972778913 /nfs/dbraw/zinc/77/89/13/972778913.db2.gz RWRCSZINEUOOPM-JTQLQIEISA-N 0 1 236.315 2.033 20 0 BEADMN CC1(C)CC(Nc2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000395203568 972780663 /nfs/dbraw/zinc/78/06/63/972780663.db2.gz HQTPEBABALPFFA-UHFFFAOYSA-N 0 1 220.272 2.380 20 0 BEADMN c1ncc(CO[C@H]2CCc3cccnc32)[nH]1 ZINC001223001510 972798386 /nfs/dbraw/zinc/79/83/86/972798386.db2.gz ZCAISVXDBDFQNM-NSHDSACASA-N 0 1 215.256 2.009 20 0 BEADMN CC(C)Oc1ccc(COCc2cnc[nH]2)cn1 ZINC001223001501 972800071 /nfs/dbraw/zinc/80/00/71/972800071.db2.gz YZZHSTDVXXVNMD-UHFFFAOYSA-N 0 1 247.298 2.309 20 0 BEADMN CC(C)Oc1cc(COCc2cnc[nH]2)ccn1 ZINC001223007637 972800867 /nfs/dbraw/zinc/80/08/67/972800867.db2.gz MITFFQLOHNHGOZ-UHFFFAOYSA-N 0 1 247.298 2.309 20 0 BEADMN CC(C)(C)[C@H]1CC[C@H](OCc2nn[nH]n2)CC1 ZINC001223026548 972804354 /nfs/dbraw/zinc/80/43/54/972804354.db2.gz APFJIEPPUMJVSU-MGCOHNPYSA-N 0 1 238.335 2.321 20 0 BEADMN CC(C)[C@H]1CC[C@H](C)C[C@H]1OCc1nn[nH]n1 ZINC001223029996 972811509 /nfs/dbraw/zinc/81/15/09/972811509.db2.gz RTPOQGUFZLPIGG-HBNTYKKESA-N 0 1 238.335 2.177 20 0 BEADMN COc1ccc(C[N@@H+](C)C2CC(C)C2)nc1 ZINC001144420216 972812192 /nfs/dbraw/zinc/81/21/92/972812192.db2.gz ZKUPNXZFGCDJNB-UHFFFAOYSA-N 0 1 220.316 2.321 20 0 BEADMN COc1ccc(C[N@H+]2CCCC23CC3)nc1 ZINC001144420060 972814698 /nfs/dbraw/zinc/81/46/98/972814698.db2.gz RODBDJNDBBYVDR-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ncn2ccccc12 ZINC001144623436 972895284 /nfs/dbraw/zinc/89/52/84/972895284.db2.gz WKVKGLVIELBFRP-SDDRHHMPSA-N 0 1 245.301 2.267 20 0 BEADMN CC(C)[N@@H+](C)Cc1sccc1C(=O)[O-] ZINC001144664548 972923903 /nfs/dbraw/zinc/92/39/03/972923903.db2.gz JCQCKYHENXYMKT-UHFFFAOYSA-N 0 1 213.302 2.287 20 0 BEADMN CCC[C@H]1CCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000396853313 972945634 /nfs/dbraw/zinc/94/56/34/972945634.db2.gz VTBTUWGAAQTUBE-VIFPVBQESA-N 0 1 238.287 2.137 20 0 BEADMN c1csc(CN(Cc2nnc[nH]2)C2CC2)c1 ZINC001328380360 973006567 /nfs/dbraw/zinc/00/65/67/973006567.db2.gz CWNVQUSUUMMPSM-UHFFFAOYSA-N 0 1 234.328 2.031 20 0 BEADMN F[C@@H]1CCC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC001328387143 973010957 /nfs/dbraw/zinc/01/09/57/973010957.db2.gz JKNBOBNGEVKNEV-AEJSXWLSSA-N 0 1 239.294 2.490 20 0 BEADMN Cn1cccc1[C@H]1COCCN1CC1CC=CC1 ZINC001328410937 973035497 /nfs/dbraw/zinc/03/54/97/973035497.db2.gz XNFSHDLPFXXJTL-OAHLLOKOSA-N 0 1 246.354 2.365 20 0 BEADMN CC1=CC[C@](C)(C(=O)NCCN2CC=CC2)CC1 ZINC001328469909 973084838 /nfs/dbraw/zinc/08/48/38/973084838.db2.gz JMIFCSNAKVRCMR-HNNXBMFYSA-N 0 1 248.370 2.111 20 0 BEADMN Cc1nc(N2C=C(N)C=CC2)cc2[nH]ccc21 ZINC001160883929 973093115 /nfs/dbraw/zinc/09/31/15/973093115.db2.gz GONGEOKVRAJKBG-UHFFFAOYSA-N 0 1 226.283 2.048 20 0 BEADMN Cc1ccc(N2CC3(CN(C)C3)C2)c(C)c1 ZINC001276896707 973131721 /nfs/dbraw/zinc/13/17/21/973131721.db2.gz LQXBIXWHZRAACR-UHFFFAOYSA-N 0 1 216.328 2.055 20 0 BEADMN c1nnc(CSC[C@@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC001328585751 973168029 /nfs/dbraw/zinc/16/80/29/973168029.db2.gz LLAXXTIYGAGQEF-AYMMMOKOSA-N 0 1 209.318 2.084 20 0 BEADMN O=C(NCc1[nH]nc2ccccc21)C1CC=CC1 ZINC001146702215 973195442 /nfs/dbraw/zinc/19/54/42/973195442.db2.gz GNHNBKOXFIEKEM-UHFFFAOYSA-N 0 1 241.294 2.145 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000399588616 973229324 /nfs/dbraw/zinc/22/93/24/973229324.db2.gz KWBLYGPGKODOGZ-MXWKQRLJSA-N 0 1 248.326 2.256 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000399588617 973229514 /nfs/dbraw/zinc/22/95/14/973229514.db2.gz KWBLYGPGKODOGZ-OUAUKWLOSA-N 0 1 248.326 2.256 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000399645115 973232638 /nfs/dbraw/zinc/23/26/38/973232638.db2.gz ZKKJPUFVIWNOGI-MXWKQRLJSA-N 0 1 248.326 2.256 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000400070609 973249946 /nfs/dbraw/zinc/24/99/46/973249946.db2.gz HBEXGDWOTNVMFW-SNVBAGLBSA-N 0 1 235.283 2.210 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)nc1 ZINC000400099720 973250935 /nfs/dbraw/zinc/25/09/35/973250935.db2.gz ZIJRVVODDFDIQU-GFCCVEGCSA-N 0 1 246.310 2.012 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@@H](C2CC2)C1)C(=O)[O-] ZINC000400150413 973254145 /nfs/dbraw/zinc/25/41/45/973254145.db2.gz DVKAVGYHHFYJNK-LLVKDONJSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)[nH]n2)[C@@H](CC)CO1 ZINC001328709254 973290034 /nfs/dbraw/zinc/29/00/34/973290034.db2.gz XRSXPSIAXTUCKJ-QWHCGFSZSA-N 0 1 237.347 2.108 20 0 BEADMN COC(=O)c1oc(CNC/C=C/C2CC2)cc1C ZINC001328759520 973340394 /nfs/dbraw/zinc/34/03/94/973340394.db2.gz WXQYCYFBUIGCAY-ONEGZZNKSA-N 0 1 249.310 2.430 20 0 BEADMN CS[C@H]1CC[C@@H](N(C)Cc2nc(C)c[nH]2)C1 ZINC001329061106 973456243 /nfs/dbraw/zinc/45/62/43/973456243.db2.gz JGMGGTJEHYLDOH-MNOVXSKESA-N 0 1 239.388 2.434 20 0 BEADMN Cc1nnc(SCc2coc(C3CC3)n2)[nH]1 ZINC001329272349 973624020 /nfs/dbraw/zinc/62/40/20/973624020.db2.gz FVZGLGSPEDPLDJ-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1n[nH]c(SCc2coc(C3CC3)n2)n1 ZINC001329272349 973624030 /nfs/dbraw/zinc/62/40/30/973624030.db2.gz FVZGLGSPEDPLDJ-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1nnc(SC[C@@H]2CCC(C)(C)CO2)[nH]1 ZINC001329275471 973626797 /nfs/dbraw/zinc/62/67/97/973626797.db2.gz WVDIDILUGYJEKE-VIFPVBQESA-N 0 1 241.360 2.410 20 0 BEADMN CC(C)C[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC000403407193 973675021 /nfs/dbraw/zinc/67/50/21/973675021.db2.gz JUAIVYAGRTZCQJ-UHFFFAOYSA-N 0 1 240.130 2.348 20 0 BEADMN CO[C@H]1CCN(Cc2cc(Cl)ccc2N)C1 ZINC000234888794 973775824 /nfs/dbraw/zinc/77/58/24/973775824.db2.gz ZEAKYSVYPYKEPW-NSHDSACASA-N 0 1 240.734 2.143 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@@H]1C ZINC001147855094 973781452 /nfs/dbraw/zinc/78/14/52/973781452.db2.gz WSOHRGZDHBZPTA-UWVGGRQHSA-N 0 1 243.310 2.291 20 0 BEADMN Cc1cc(CN2CC(C)(CC(F)F)C2)n[nH]1 ZINC001329506088 973804724 /nfs/dbraw/zinc/80/47/24/973804724.db2.gz DUVPNSWMVHSIMY-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN CC1(C)C[C@H](COC2CCN(CCF)CC2)O1 ZINC001224640419 973817854 /nfs/dbraw/zinc/81/78/54/973817854.db2.gz MTUIJVSCUOCDKT-GFCCVEGCSA-N 0 1 245.338 2.004 20 0 BEADMN C[C@@H](OC[C@@H]1CCCCN1C)C(F)(F)F ZINC001224703469 973869834 /nfs/dbraw/zinc/86/98/34/973869834.db2.gz SZUSDNJCJUFTML-BDAKNGLRSA-N 0 1 225.254 2.438 20 0 BEADMN Cc1ccccc1CN(Cc1nnc[nH]1)C1CC1 ZINC001329878270 973996860 /nfs/dbraw/zinc/99/68/60/973996860.db2.gz QDVRKMRNMQDHOY-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN NCc1nccn1[C@@H]1CCc2c(F)cccc2C1 ZINC001171393896 974001842 /nfs/dbraw/zinc/00/18/42/974001842.db2.gz QLJYCMYKGBMXRA-LLVKDONJSA-N 0 1 245.301 2.211 20 0 BEADMN Fc1cccc2c1CC[C@@H](NCc1cocn1)C2 ZINC001171400823 974006179 /nfs/dbraw/zinc/00/61/79/974006179.db2.gz GATCJWQXCHPRFV-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN CC[C@@H](C)N(CC)Cc1cn(C(C)C)nn1 ZINC001329914310 974019297 /nfs/dbraw/zinc/01/92/97/974019297.db2.gz YSGHLYHZTKDXDM-LLVKDONJSA-N 0 1 224.352 2.479 20 0 BEADMN Cc1cccc2c1CC[C@@H](N1C[C@H]3C[C@@H](C1)O3)C2 ZINC001171572754 974105324 /nfs/dbraw/zinc/10/53/24/974105324.db2.gz DTXZNFGPANVNBL-KFWWJZLASA-N 0 1 243.350 2.325 20 0 BEADMN Fc1cccc2c1C[C@@H](NCc1ccon1)C2 ZINC001171773726 974157501 /nfs/dbraw/zinc/15/75/01/974157501.db2.gz OLDGDVHPBUSDSM-NSHDSACASA-N 0 1 232.258 2.071 20 0 BEADMN COCCN(CCF)CCCCOC(C)(C)C ZINC001171820603 974172718 /nfs/dbraw/zinc/17/27/18/974172718.db2.gz PQKYPHAVPJSXMK-UHFFFAOYSA-N 0 1 249.370 2.500 20 0 BEADMN C[C@@H]1CN([C@H]2Cc3cccc(F)c3C2)C[C@@H](C)O1 ZINC001171790775 974177797 /nfs/dbraw/zinc/17/77/97/974177797.db2.gz SEPHZGOISWUEIT-WZRBSPASSA-N 0 1 249.329 2.402 20 0 BEADMN C[C@@H]1CN([C@H]2Cc3cccc(F)c3C2)C[C@H](C)O1 ZINC001171790772 974179049 /nfs/dbraw/zinc/17/90/49/974179049.db2.gz SEPHZGOISWUEIT-LOWVWBTDSA-N 0 1 249.329 2.402 20 0 BEADMN Fc1cccc2c1C[C@H](N1CC[C@@H](F)C1)C2 ZINC001171792688 974184716 /nfs/dbraw/zinc/18/47/16/974184716.db2.gz IJIZVHDXKLODMY-GHMZBOCLSA-N 0 1 223.266 2.337 20 0 BEADMN CC[C@H]1COCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171806481 974192553 /nfs/dbraw/zinc/19/25/53/974192553.db2.gz GCFFOFLKIBQTBC-STQMWFEESA-N 0 1 249.329 2.404 20 0 BEADMN CCN(C1COC1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171805817 974192683 /nfs/dbraw/zinc/19/26/83/974192683.db2.gz RJICIPIQFDZUMX-LLVKDONJSA-N 0 1 235.302 2.014 20 0 BEADMN Fc1cccc2c1C[C@H](N1CC(C(F)F)C1)C2 ZINC001171811807 974200050 /nfs/dbraw/zinc/20/00/50/974200050.db2.gz IMNLMBFULYEJAP-SNVBAGLBSA-N 0 1 241.256 2.490 20 0 BEADMN CN([C@@H]1Cc2cccc(F)c2C1)C1(C)COC1 ZINC001171807148 974202053 /nfs/dbraw/zinc/20/20/53/974202053.db2.gz QTNSXNRROHXWMM-LLVKDONJSA-N 0 1 235.302 2.014 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2ccncc2)C1 ZINC001204080264 974242059 /nfs/dbraw/zinc/24/20/59/974242059.db2.gz IBHVOHGEEAADAL-JQWIXIFHSA-N 0 1 208.280 2.262 20 0 BEADMN Fc1ccc(CN(Cc2nnc[nH]2)C2CC2)cc1 ZINC001330544789 974303972 /nfs/dbraw/zinc/30/39/72/974303972.db2.gz KTODLNNNUIGOSM-UHFFFAOYSA-N 0 1 246.289 2.108 20 0 BEADMN Cc1c(C(=O)NCC(C)(C)F)ccc2cncn21 ZINC001330549416 974307671 /nfs/dbraw/zinc/30/76/71/974307671.db2.gz DCQGXYPRMWZUNO-UHFFFAOYSA-N 0 1 249.289 2.121 20 0 BEADMN Fc1cccc(C2(NCc3nnc[nH]3)CCC2)c1 ZINC001330567269 974319357 /nfs/dbraw/zinc/31/93/57/974319357.db2.gz SYVPOYMCLFUHEH-UHFFFAOYSA-N 0 1 246.289 2.113 20 0 BEADMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[CH]CC=C1)C2 ZINC001172108495 974376649 /nfs/dbraw/zinc/37/66/49/974376649.db2.gz APGNVGBEMHBVAZ-YIYPIFLZSA-N 0 1 219.352 2.124 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[CH]CC=C1)C2 ZINC001172108495 974376657 /nfs/dbraw/zinc/37/66/57/974376657.db2.gz APGNVGBEMHBVAZ-YIYPIFLZSA-N 0 1 219.352 2.124 20 0 BEADMN CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[CH]CC=C1)C2 ZINC001172108495 974376669 /nfs/dbraw/zinc/37/66/69/974376669.db2.gz APGNVGBEMHBVAZ-YIYPIFLZSA-N 0 1 219.352 2.124 20 0 BEADMN CC1(NCc2ccc3c(c2)CCC3)COC1 ZINC001330652988 974388826 /nfs/dbraw/zinc/38/88/26/974388826.db2.gz UMXVJLAIAOXJKO-UHFFFAOYSA-N 0 1 217.312 2.054 20 0 BEADMN CN1CCC12CN(c1cccc3cccnc31)C2 ZINC001277035585 974420369 /nfs/dbraw/zinc/42/03/69/974420369.db2.gz NVGMDFGNUHRKRN-UHFFFAOYSA-N 0 1 239.322 2.129 20 0 BEADMN CC1(C)C[C@H](N2CCc3cnccc3C2)CO1 ZINC001172284551 974546014 /nfs/dbraw/zinc/54/60/14/974546014.db2.gz UKKXQCIZUPJIOC-ZDUSSCGKSA-N 0 1 232.327 2.007 20 0 BEADMN CCC[C@@H](C)CC(=O)NCc1cc(N)ccn1 ZINC001330984719 974549953 /nfs/dbraw/zinc/54/99/53/974549953.db2.gz NSKRMYWOBNQIES-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)c1nc(NC(=O)CCC2CCC2)n[nH]1 ZINC001330998494 974554405 /nfs/dbraw/zinc/55/44/05/974554405.db2.gz NNLGIYKKYDITGO-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CCC2CCC2)n1 ZINC001330998494 974554411 /nfs/dbraw/zinc/55/44/11/974554411.db2.gz NNLGIYKKYDITGO-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2ccccc2[S-])C1 ZINC001225584041 974566703 /nfs/dbraw/zinc/56/67/03/974566703.db2.gz NIQBQLIZCUGLCL-SNVBAGLBSA-N 0 1 223.341 2.448 20 0 BEADMN CON(C(=O)c1ccc2cncn2c1C)C(C)C ZINC001331111802 974609617 /nfs/dbraw/zinc/60/96/17/974609617.db2.gz SMWSNOAQVPCEDU-UHFFFAOYSA-N 0 1 247.298 2.055 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1C[C@H]2C[C@@H](C1)O2 ZINC001172354643 974623436 /nfs/dbraw/zinc/62/34/36/974623436.db2.gz SKWYYMNQIXPBSI-QNWHQSFQSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N(C)[C@@H](C)C(=O)OC ZINC001172353843 974625484 /nfs/dbraw/zinc/62/54/84/974625484.db2.gz OOVVFSBNNQCHGT-UTUOFQBUSA-N 0 1 245.363 2.073 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2CCSC2=O)C[C@@H]1C ZINC001172360484 974633287 /nfs/dbraw/zinc/63/32/87/974633287.db2.gz UZXADBSAHPBNLZ-YTWAJWBKSA-N 0 1 227.373 2.433 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N(CC)CC(=O)OC ZINC001172362540 974636930 /nfs/dbraw/zinc/63/69/30/974636930.db2.gz UEZXTMBWZRTDGI-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)CNC(=O)[C@@H](C)N1CC(C)(C)C1(C)C ZINC001331236107 974654285 /nfs/dbraw/zinc/65/42/85/974654285.db2.gz JZRNVSXEHJTAJF-LLVKDONJSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)CNC(=O)[C@H](C)N1CC(C)(C)C1(C)C ZINC001331236108 974654741 /nfs/dbraw/zinc/65/47/41/974654741.db2.gz JZRNVSXEHJTAJF-NSHDSACASA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@H](CC(C)C)N1CCO[C@H](C(C)=O)C1 ZINC001172404790 974658749 /nfs/dbraw/zinc/65/87/49/974658749.db2.gz LJAQHMGTXLDERF-OLZOCXBDSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)OCC[C@@H](C)NCc1cscn1 ZINC001172429848 974710231 /nfs/dbraw/zinc/71/02/31/974710231.db2.gz ARCSSDSQMGELNL-SNVBAGLBSA-N 0 1 228.361 2.436 20 0 BEADMN CCOCC[C@H](C)N1CCC[C@@H]1c1ncccn1 ZINC001172429690 974711420 /nfs/dbraw/zinc/71/14/20/974711420.db2.gz BULGPGSKOUHXRA-QWHCGFSZSA-N 0 1 249.358 2.429 20 0 BEADMN C[C@H](Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225883106 974714650 /nfs/dbraw/zinc/71/46/50/974714650.db2.gz YMBQERSVVSZIJK-SECBINFHSA-N 0 1 248.257 2.331 20 0 BEADMN CCCN(CC(=O)OCC)[C@H](C)CCOCC ZINC001172434680 974723129 /nfs/dbraw/zinc/72/31/29/974723129.db2.gz ZZANGPQDLFUKOR-GFCCVEGCSA-N 0 1 245.363 2.077 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@@H]2Oc1cccc2[nH]nnc21 ZINC001225990972 974753211 /nfs/dbraw/zinc/75/32/11/974753211.db2.gz PGSVBONHBCALRF-SBMIAAHKSA-N 0 1 227.267 2.301 20 0 BEADMN COC1=CC[C@H](Oc2cccc3[nH]nnc32)CC1 ZINC001225991480 974754373 /nfs/dbraw/zinc/75/43/73/974754373.db2.gz BWYVAGOQBSPDBG-JTQLQIEISA-N 0 1 245.282 2.420 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)C(F)(F)F ZINC001225992562 974755669 /nfs/dbraw/zinc/75/56/69/974755669.db2.gz SYOYJZMCYOZEQT-YFKPBYRVSA-N 0 1 231.177 2.288 20 0 BEADMN C[C@@H](Oc1cccc2[nH]nnc21)C(F)(F)F ZINC001225997891 974757218 /nfs/dbraw/zinc/75/72/18/974757218.db2.gz SYOYJZMCYOZEQT-RXMQYKEDSA-N 0 1 231.177 2.288 20 0 BEADMN C[C@@H](Oc1cccc2[nH]nnc21)C1CCOCC1 ZINC001225997401 974758134 /nfs/dbraw/zinc/75/81/34/974758134.db2.gz QIMBXSAJSYDWRM-SECBINFHSA-N 0 1 247.298 2.152 20 0 BEADMN CCN1CC[C@H](Oc2cc(C(C)=O)ccc2O)C1 ZINC001225999362 974759774 /nfs/dbraw/zinc/75/97/74/974759774.db2.gz WLMOQQKNJCMQKG-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)C(C)(C)C1 ZINC001172447930 974810158 /nfs/dbraw/zinc/81/01/58/974810158.db2.gz IVEGTRVCKRXTLO-GFCCVEGCSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)COC(C)(C)C)n1 ZINC001226156869 974811867 /nfs/dbraw/zinc/81/18/67/974811867.db2.gz SERZRGUDAVYXGP-SECBINFHSA-N 0 1 240.303 2.073 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCC[C@@H]2C)n1 ZINC001226156554 974812194 /nfs/dbraw/zinc/81/21/94/974812194.db2.gz OHMUTKLOZHRCPJ-IONNQARKSA-N 0 1 208.261 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CC[C@H](C)C2)n1 ZINC001226157014 974812235 /nfs/dbraw/zinc/81/22/35/974812235.db2.gz UTMUYUCDVCMFDZ-CBAPKCEASA-N 0 1 208.261 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)C2CCC2)n1 ZINC001226157439 974813674 /nfs/dbraw/zinc/81/36/74/974813674.db2.gz ZCAMKCIRPGIBBD-MRVPVSSYSA-N 0 1 208.261 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccncc2F)n1 ZINC001226157657 974813798 /nfs/dbraw/zinc/81/37/98/974813798.db2.gz CRPRAAAABMQSCS-QMMMGPOBSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccccn2)n1 ZINC001226159777 974813935 /nfs/dbraw/zinc/81/39/35/974813935.db2.gz VWGQZDCOXNWERO-SECBINFHSA-N 0 1 231.255 2.026 20 0 BEADMN COC(C)(C)C[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226157732 974814660 /nfs/dbraw/zinc/81/46/60/974814660.db2.gz DONHSRWWTXGRPF-VIFPVBQESA-N 0 1 240.303 2.073 20 0 BEADMN CCOC(=O)CN(CC)[C@@H](C)CCOC(C)C ZINC001172453973 974815304 /nfs/dbraw/zinc/81/53/04/974815304.db2.gz IPSIYVPAQWEXRG-LBPRGKRZSA-N 0 1 245.363 2.075 20 0 BEADMN FC1(F)CC[C@H](CSCc2nnc[nH]2)C1 ZINC001331872278 974840978 /nfs/dbraw/zinc/84/09/78/974840978.db2.gz KKTJLNMIZYRJLN-ZETCQYMHSA-N 0 1 233.287 2.473 20 0 BEADMN C1=C[C@H](Oc2n[nH]c3ncccc23)CC1 ZINC001226302493 974849021 /nfs/dbraw/zinc/84/90/21/974849021.db2.gz LCPSTGBFYMQGSP-QMMMGPOBSA-N 0 1 201.229 2.055 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)C1CCOCC1 ZINC001226300691 974849790 /nfs/dbraw/zinc/84/97/90/974849790.db2.gz QYTNYBMWOZTNSL-SECBINFHSA-N 0 1 247.298 2.152 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)c1ccncc1 ZINC001226300163 974850443 /nfs/dbraw/zinc/85/04/43/974850443.db2.gz LICNNPCHDVBYST-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)C1CC1 ZINC001226300429 974850479 /nfs/dbraw/zinc/85/04/79/974850479.db2.gz NRWLYEHONAQPAU-SSDOTTSWSA-N 0 1 203.245 2.135 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nccc(=O)[nH]2)C[C@H]1C ZINC001226324067 974855703 /nfs/dbraw/zinc/85/57/03/974855703.db2.gz HPHUHBQELFLAKG-OPRDCNLKSA-N 0 1 222.288 2.386 20 0 BEADMN COc1ccccc1[C@H](C)Oc1nccc(=O)[nH]1 ZINC001226324030 974856547 /nfs/dbraw/zinc/85/65/47/974856547.db2.gz GQJOOSJTBTVASV-VIFPVBQESA-N 0 1 246.266 2.331 20 0 BEADMN COc1cccc([C@H](C)Oc2nccc(=O)[nH]2)c1 ZINC001226324603 974857013 /nfs/dbraw/zinc/85/70/13/974857013.db2.gz RRYHAEDLAIFOQI-VIFPVBQESA-N 0 1 246.266 2.331 20 0 BEADMN C[C@@H](COc1nccc(=O)[nH]1)Oc1ccccc1 ZINC001226327168 974860817 /nfs/dbraw/zinc/86/08/17/974860817.db2.gz RROKCJKVFVEWFT-JTQLQIEISA-N 0 1 246.266 2.029 20 0 BEADMN C[C@H](COc1nccc(=O)[nH]1)Oc1ccccc1 ZINC001226327169 974861888 /nfs/dbraw/zinc/86/18/88/974861888.db2.gz RROKCJKVFVEWFT-SNVBAGLBSA-N 0 1 246.266 2.029 20 0 BEADMN C/C=C/C(=O)Nc1cnccc1-n1ccnc1C ZINC001331922733 974869377 /nfs/dbraw/zinc/86/93/77/974869377.db2.gz MPEKYCRRXXNLKP-ONEGZZNKSA-N 0 1 242.282 2.090 20 0 BEADMN OC1CN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172547130 974879735 /nfs/dbraw/zinc/87/97/35/974879735.db2.gz SPGJJHNPTJRTJN-KGLIPLIRSA-N 0 1 231.339 2.389 20 0 BEADMN COC(=O)C[C@@H](C)Oc1nc2ccc(C)cc2[nH]1 ZINC001226506923 974930100 /nfs/dbraw/zinc/93/01/00/974930100.db2.gz UIUAEAMUFQHXEH-SECBINFHSA-N 0 1 248.282 2.202 20 0 BEADMN Nc1ccnc(CNC(=O)C2CCCCCC2)c1 ZINC001332102919 974953224 /nfs/dbraw/zinc/95/32/24/974953224.db2.gz BHBKMPZCTYTQDD-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN CO[C@@H]1CCC[C@H](N2CCn3cccc3C2)C1 ZINC001172934399 974986655 /nfs/dbraw/zinc/98/66/55/974986655.db2.gz AVVCKWIJGXHMHB-GXTWGEPZSA-N 0 1 234.343 2.261 20 0 BEADMN C[C@H]1CCN(CN2CCC2=O)[C@H]1c1ccccc1 ZINC001332168019 974988707 /nfs/dbraw/zinc/98/87/07/974988707.db2.gz FWILFZOCJFSTTM-SWLSCSKDSA-N 0 1 244.338 2.259 20 0 BEADMN CO[C@H]1CCC[C@H](N(C)Cc2ccon2)C1 ZINC001172947509 975003961 /nfs/dbraw/zinc/00/39/61/975003961.db2.gz YSSWEEREDKJGMN-RYUDHWBXSA-N 0 1 224.304 2.064 20 0 BEADMN Fc1ccc2nc(OC3CC4(COC4)C3)[nH]c2c1 ZINC001226700784 975033857 /nfs/dbraw/zinc/03/38/57/975033857.db2.gz FJQYXUHPJXOQMD-UHFFFAOYSA-N 0 1 248.257 2.260 20 0 BEADMN CCC[C@@H](C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780437 975081416 /nfs/dbraw/zinc/08/14/16/975081416.db2.gz KDAJSNAQWMHYQU-ZCFIWIBFSA-N 0 1 238.316 2.209 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2ncc(C)cn2)C1 ZINC001173258980 975104065 /nfs/dbraw/zinc/10/40/65/975104065.db2.gz ARHQYPWUWSEODU-NEPJUHHUSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@@H](C)Oc1n[nH]c(=O)cc1Br ZINC001226846248 975122341 /nfs/dbraw/zinc/12/23/41/975122341.db2.gz LOLZKHHMHONTDF-RXMQYKEDSA-N 0 1 247.092 2.122 20 0 BEADMN CC[C@H]1CC[C@@H](n2c(C)cnc2CN)C1 ZINC001173264990 975125390 /nfs/dbraw/zinc/12/53/90/975125390.db2.gz XQJMEGFANAGLON-WDEREUQCSA-N 0 1 207.321 2.401 20 0 BEADMN CC[C@H]1CC[C@H](NCc2ncc(F)cn2)C1 ZINC001173265151 975125532 /nfs/dbraw/zinc/12/55/32/975125532.db2.gz QCMQTNUHZPISIE-ONGXEEELSA-N 0 1 223.295 2.284 20 0 BEADMN CC1=C[C@@H](Oc2ccc3nc[nH]c3c2)CC(=O)O1 ZINC001226928826 975155657 /nfs/dbraw/zinc/15/56/57/975155657.db2.gz SMYFKUASXLVCCW-SNVBAGLBSA-N 0 1 244.250 2.161 20 0 BEADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cncnc1 ZINC001226928874 975157299 /nfs/dbraw/zinc/15/72/99/975157299.db2.gz UIJFWIYUTDZODQ-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN CCSC[C@@H](C)NCc1cnc(Cl)cn1 ZINC001173298285 975187907 /nfs/dbraw/zinc/18/79/07/975187907.db2.gz NGPHDOMVMMNBKB-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN CCSC[C@@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001173299724 975193312 /nfs/dbraw/zinc/19/33/12/975193312.db2.gz IHENMOKVQVZHIE-NXEZZACHSA-N 0 1 233.352 2.131 20 0 BEADMN CO[C@H](C)CCOc1[nH]c(=O)nc2ccccc21 ZINC001226977701 975199756 /nfs/dbraw/zinc/19/97/56/975199756.db2.gz SJQRHXQRCFMXRC-SECBINFHSA-N 0 1 248.282 2.139 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227000825 975217472 /nfs/dbraw/zinc/21/74/72/975217472.db2.gz SPORGAXBWQWTSH-SFYZADRCSA-N 0 1 226.276 2.004 20 0 BEADMN Cc1nc2cc(N[C@@H](CO)C(C)C)ccc2[nH]1 ZINC000258918753 975234204 /nfs/dbraw/zinc/23/42/04/975234204.db2.gz UFNVTHWRDAFLIS-ZDUSSCGKSA-N 0 1 233.315 2.300 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCc3ncn(C)c3C2)C1 ZINC001173284189 975244310 /nfs/dbraw/zinc/24/43/10/975244310.db2.gz OFZOAUCTNTWFDU-NWDGAFQWSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H](CO)N1CCc2ccc(Cl)cc2C1 ZINC001332699841 975260942 /nfs/dbraw/zinc/26/09/42/975260942.db2.gz VZKWGEKCKQNFIV-ZDUSSCGKSA-N 0 1 239.746 2.469 20 0 BEADMN Cc1[nH]c(=O)nc(O[C@H](C)C2CC2)c1Cl ZINC001227117452 975283092 /nfs/dbraw/zinc/28/30/92/975283092.db2.gz WILDEZOKYDZCCD-ZCFIWIBFSA-N 0 1 228.679 2.321 20 0 BEADMN CC[C@@H](C)Oc1nc(=O)[nH]cc1Br ZINC001227134295 975292267 /nfs/dbraw/zinc/29/22/67/975292267.db2.gz YZSMMZVZXDPFET-RXMQYKEDSA-N 0 1 247.092 2.122 20 0 BEADMN CCSC[C@@H](C)N(C)[C@H](C(=O)OC)C(C)C ZINC001173314716 975298316 /nfs/dbraw/zinc/29/83/16/975298316.db2.gz JXZYDGNRLQQWAJ-MNOVXSKESA-N 0 1 247.404 2.257 20 0 BEADMN CC[C@@H](CO)NC(C)(C)c1ncc(C)s1 ZINC001332883922 975307017 /nfs/dbraw/zinc/30/70/17/975307017.db2.gz JLDIALWWAWLVNH-VIFPVBQESA-N 0 1 228.361 2.047 20 0 BEADMN CC(C)C[C@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271088 975346595 /nfs/dbraw/zinc/34/65/95/975346595.db2.gz PTHNBGVKUGZRDZ-QMMMGPOBSA-N 0 1 235.287 2.477 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270928 975347989 /nfs/dbraw/zinc/34/79/89/975347989.db2.gz MWCIAXIDUYXVLO-YUMQZZPRSA-N 0 1 235.287 2.477 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227270383 975348180 /nfs/dbraw/zinc/34/81/80/975348180.db2.gz GUFNCINOTSRQRX-HTQZYQBOSA-N 0 1 233.271 2.231 20 0 BEADMN COC1(CNCc2cc(C(C)C)no2)CCC1 ZINC001332980209 975352397 /nfs/dbraw/zinc/35/23/97/975352397.db2.gz GANGIZBLHIXNPD-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN c1nnc(CN2C[C@@H]3CC[C@H]2c2ccccc23)[nH]1 ZINC001333083045 975399439 /nfs/dbraw/zinc/39/94/39/975399439.db2.gz CTGUGRKQVNSOLL-GWCFXTLKSA-N 0 1 240.310 2.239 20 0 BEADMN CCC(CC)CC(=O)NCC1(NCCF)CC1 ZINC001277208714 975406892 /nfs/dbraw/zinc/40/68/92/975406892.db2.gz GLRRHWFLZUVJSG-UHFFFAOYSA-N 0 1 244.354 2.021 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@@H]2CC23CCC3)cc1 ZINC000721259744 975504627 /nfs/dbraw/zinc/50/46/27/975504627.db2.gz XZHJOXBUOIPYFV-CHWSQXEVSA-N 0 1 244.338 2.054 20 0 BEADMN c1nc2ncnc(OC3CCCCCC3)c2[nH]1 ZINC001227531851 975508661 /nfs/dbraw/zinc/50/86/61/975508661.db2.gz NIPRPXAMCBVMJS-UHFFFAOYSA-N 0 1 232.287 2.455 20 0 BEADMN Cc1nnc(=S)[nH]c1OC(C1CC1)C1CC1 ZINC001227598544 975564286 /nfs/dbraw/zinc/56/42/86/975564286.db2.gz JRHLEUIMXKLSRD-UHFFFAOYSA-N 0 1 237.328 2.036 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCC[C@@H](C)C1 ZINC001227598540 975569112 /nfs/dbraw/zinc/56/91/12/975569112.db2.gz JOGCDBMIOKFMHD-VXNVDRBHSA-N 0 1 239.344 2.426 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)C1CCC1 ZINC001227599295 975571164 /nfs/dbraw/zinc/57/11/64/975571164.db2.gz XWEVKFGBBPADMN-SSDOTTSWSA-N 0 1 225.317 2.036 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CC[C@H](C)C1 ZINC001227598594 975571752 /nfs/dbraw/zinc/57/17/52/975571752.db2.gz KQHPPMPIQDHZSM-POYBYMJQSA-N 0 1 225.317 2.036 20 0 BEADMN Cc1ccccc1Nc1cc(=O)nc(N(C)C)[nH]1 ZINC001173815850 975575515 /nfs/dbraw/zinc/57/55/15/975575515.db2.gz FWRXNRYZMKAWNG-UHFFFAOYSA-N 0 1 244.298 2.300 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)C1CCCC1 ZINC001227601985 975575467 /nfs/dbraw/zinc/57/54/67/975575467.db2.gz PHRWICXDLUWSOA-QMMMGPOBSA-N 0 1 239.344 2.426 20 0 BEADMN CC(C)C[C@@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806112 975702708 /nfs/dbraw/zinc/70/27/08/975702708.db2.gz DGZFOBCZMVAFBG-MRVPVSSYSA-N 0 1 235.287 2.477 20 0 BEADMN O=c1nc2cc[nH]c2c(OC2CCCCC2)[nH]1 ZINC001227806776 975706392 /nfs/dbraw/zinc/70/63/92/975706392.db2.gz NTOBLULPLDLFLY-UHFFFAOYSA-N 0 1 233.271 2.375 20 0 BEADMN CCC(CC)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227807561 975714904 /nfs/dbraw/zinc/71/49/04/975714904.db2.gz ZUQQQQFAVDEBDO-UHFFFAOYSA-N 0 1 221.260 2.231 20 0 BEADMN COc1nc(Nc2cccc(F)c2)cc(=O)[nH]1 ZINC001173833563 975856787 /nfs/dbraw/zinc/85/67/87/975856787.db2.gz ZQIRNVDVIOOYIL-UHFFFAOYSA-N 0 1 235.218 2.074 20 0 BEADMN COc1cccc(OC)c1Nc1cnc(C)n1C ZINC001173922762 975898820 /nfs/dbraw/zinc/89/88/20/975898820.db2.gz COKLVZGDSWTUSJ-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN CCOC(=O)c1ccsc1Nc1ccncc1 ZINC001173879695 975914480 /nfs/dbraw/zinc/91/44/80/975914480.db2.gz YOOYYIQYRMSRSU-UHFFFAOYSA-N 0 1 248.307 2.485 20 0 BEADMN c1cc(Nc2ccc(OCC3CC3)nc2)ccn1 ZINC001173882028 975929598 /nfs/dbraw/zinc/92/95/98/975929598.db2.gz HJSPHCGSBIBSTK-UHFFFAOYSA-N 0 1 241.294 2.431 20 0 BEADMN Fc1c(Cl)nccc1Nc1ccncc1 ZINC001173882590 975936375 /nfs/dbraw/zinc/93/63/75/975936375.db2.gz ZTRHDSQCOJVYQT-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN Nc1cccc2cn(-c3ccncc3)nc21 ZINC001173882839 975947504 /nfs/dbraw/zinc/94/75/04/975947504.db2.gz WZCJAWAGDFIOGF-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CC(=O)c1cc(Nc2ccncc2)ccc1O ZINC001173883529 975954126 /nfs/dbraw/zinc/95/41/26/975954126.db2.gz SJFZCWWTYQMWGP-UHFFFAOYSA-N 0 1 228.251 2.155 20 0 BEADMN Cc1cc(Nc2ccncc2)c(C)cc1N ZINC001173883333 975962110 /nfs/dbraw/zinc/96/21/10/975962110.db2.gz NDYOWOOVCOHBGL-UHFFFAOYSA-N 0 1 213.284 2.446 20 0 BEADMN c1cc2cnncc2c(Nc2ccncc2)c1 ZINC001173883570 975962243 /nfs/dbraw/zinc/96/22/43/975962243.db2.gz MYPQITHRAYOJIA-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN OCc1c(Cl)cccc1Nc1ccncc1 ZINC001173884586 975965085 /nfs/dbraw/zinc/96/50/85/975965085.db2.gz LTPUOLFOZMKFER-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN c1ccc(C2=NCCO2)c(Nc2ccncc2)c1 ZINC001173884041 975966885 /nfs/dbraw/zinc/96/68/85/975966885.db2.gz DGYCZUFOFXSYKQ-UHFFFAOYSA-N 0 1 239.278 2.024 20 0 BEADMN Nc1cccc2c1CCN2c1ccncc1 ZINC001173884560 975975276 /nfs/dbraw/zinc/97/52/76/975975276.db2.gz UPTRXVZZGPJPJK-UHFFFAOYSA-N 0 1 211.268 2.358 20 0 BEADMN OCc1cc(Nc2ccncc2)ccc1Cl ZINC001173884908 975975535 /nfs/dbraw/zinc/97/55/35/975975535.db2.gz XLYFQTROYAQDDO-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN O[C@H]1CCc2ccc(Nc3ccncc3)cc21 ZINC001173885252 975983818 /nfs/dbraw/zinc/98/38/18/975983818.db2.gz QFVCSMYMAVMDFJ-AWEZNQCLSA-N 0 1 226.279 2.227 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2cscn2)c1C ZINC001333703400 976007130 /nfs/dbraw/zinc/00/71/30/976007130.db2.gz QRJNKADNUWJBMF-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cc1nonc1Nc1cccc(F)c1F ZINC001173945479 976090433 /nfs/dbraw/zinc/09/04/33/976090433.db2.gz UYPWRFBAOIQCEP-UHFFFAOYSA-N 0 1 211.171 2.400 20 0 BEADMN COc1cccc(Nc2cncn2C)c1OC ZINC001174015226 976170617 /nfs/dbraw/zinc/17/06/17/976170617.db2.gz ZAFPJCRKNLLMGI-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)CCO2 ZINC001174009424 976175230 /nfs/dbraw/zinc/17/52/30/976175230.db2.gz DXWVDZKJLXOPLR-UHFFFAOYSA-N 0 1 215.256 2.099 20 0 BEADMN C[C@H]1CC(Oc2nc(O)cc(=O)[nH]2)C[C@H](C)C1 ZINC001228388333 976179240 /nfs/dbraw/zinc/17/92/40/976179240.db2.gz HNRPMGQBLZRIJD-HTQZYQBOSA-N 0 1 238.287 2.091 20 0 BEADMN CC[C@H]1CC[C@H](Oc2nc(O)cc(=O)[nH]2)CC1 ZINC001228388375 976180679 /nfs/dbraw/zinc/18/06/79/976180679.db2.gz ILLCZFKOXQCVGP-KYZUINATSA-N 0 1 238.287 2.235 20 0 BEADMN CCCC[C@@H](CC)Oc1nc(O)cc(=O)[nH]1 ZINC001228387644 976180843 /nfs/dbraw/zinc/18/08/43/976180843.db2.gz CXHGFHBIDWJJJF-MRVPVSSYSA-N 0 1 226.276 2.235 20 0 BEADMN C[C@H](Oc1nc(O)cc(=O)[nH]1)c1ccccc1 ZINC001228391299 976184292 /nfs/dbraw/zinc/18/42/92/976184292.db2.gz VFLHYEBVZXUMEL-QMMMGPOBSA-N 0 1 232.239 2.028 20 0 BEADMN CCC(CC)Oc1nc(=O)[nH]cc1Cl ZINC001228479355 976204046 /nfs/dbraw/zinc/20/40/46/976204046.db2.gz DESCEXVKGYAMAW-UHFFFAOYSA-N 0 1 216.668 2.403 20 0 BEADMN COc1ccc(Nc2cncn2C)c(C)c1 ZINC001174022568 976227837 /nfs/dbraw/zinc/22/78/37/976227837.db2.gz NQMKSZLZPSISFR-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN O=c1ncc(Cl)c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001228480945 976244085 /nfs/dbraw/zinc/24/40/85/976244085.db2.gz UDORQFJPWKWMMD-OOZYFLPDSA-N 0 1 238.674 2.179 20 0 BEADMN COc1ncccc1Nc1nonc1C1CC1 ZINC001174041058 976251763 /nfs/dbraw/zinc/25/17/63/976251763.db2.gz KIUDQSRNIAVUJZ-UHFFFAOYSA-N 0 1 232.243 2.094 20 0 BEADMN Cc1[nH+]c(N2CCC[C@H](F)C2)ccc1C(=O)[O-] ZINC000689483631 976257411 /nfs/dbraw/zinc/25/74/11/976257411.db2.gz WXNNLNHAUGWEHX-VIFPVBQESA-N 0 1 238.262 2.027 20 0 BEADMN Nc1cncn1-c1cncc2ccccc21 ZINC001174099936 976296418 /nfs/dbraw/zinc/29/64/18/976296418.db2.gz KTEBGICPBGDEKO-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CCc1cc(CNCc2cnc(F)cc2C)[nH]n1 ZINC001334172350 976351924 /nfs/dbraw/zinc/35/19/24/976351924.db2.gz NOHHDIHFXDLYCT-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN COc1cc(F)ccc1Nc1ccnc(CO)c1 ZINC001174129359 976368366 /nfs/dbraw/zinc/36/83/66/976368366.db2.gz MYWJUDJUEJMJAJ-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN COc1ccc(CN[C@H]2C=CCCC2)o1 ZINC001334199629 976368688 /nfs/dbraw/zinc/36/86/88/976368688.db2.gz HPPPJKIODFXNMM-JTQLQIEISA-N 0 1 207.273 2.487 20 0 BEADMN COc1ccc(Nc2nccn2C)c(F)c1 ZINC001174143013 976373790 /nfs/dbraw/zinc/37/37/90/976373790.db2.gz QZSBDALIIYAUDX-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN CC[C@@H](COC)NCc1c(F)cccc1OC ZINC001334232724 976392718 /nfs/dbraw/zinc/39/27/18/976392718.db2.gz ANEALXYSRMPIRJ-JTQLQIEISA-N 0 1 241.306 2.349 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1ccccn1 ZINC001228663879 976422554 /nfs/dbraw/zinc/42/25/54/976422554.db2.gz HPICWTOKAJGTAO-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cncc(F)c1 ZINC001174289261 976454664 /nfs/dbraw/zinc/45/46/64/976454664.db2.gz SWYSQXJXGUNXFV-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN COc1ccc(F)c(O[C@H]2CCCN(C)C2)c1 ZINC001228787427 976493819 /nfs/dbraw/zinc/49/38/19/976493819.db2.gz HWBLHDUTLBIPGA-NSHDSACASA-N 0 1 239.290 2.307 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1cc(CO)on1 ZINC001334404582 976499770 /nfs/dbraw/zinc/49/97/70/976499770.db2.gz YGKTTWHNKHLSIF-LPEHRKFASA-N 0 1 242.294 2.098 20 0 BEADMN Nc1cccc2ncn(-c3ccc4nccn4c3)c21 ZINC001174276842 976504768 /nfs/dbraw/zinc/50/47/68/976504768.db2.gz SBSRRHJILCCNBY-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN CN1CCC[C@H](Oc2ncc(Cl)cc2F)C1 ZINC001228832154 976508889 /nfs/dbraw/zinc/50/88/89/976508889.db2.gz QHFGNRLYJIWTNJ-VIFPVBQESA-N 0 1 244.697 2.347 20 0 BEADMN Cn1cnc(Nc2cccc3[nH]ncc32)c1 ZINC001174342704 976563240 /nfs/dbraw/zinc/56/32/40/976563240.db2.gz UGVQLJXGMIJEHN-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Nc1cccnc1Nc1cccc2[nH]ncc21 ZINC001174343156 976567521 /nfs/dbraw/zinc/56/75/21/976567521.db2.gz SBZMUHXMLUNZRK-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN CC[C@H](Oc1nc(OC)cc(=O)[nH]1)C(C)C ZINC001228918050 976571941 /nfs/dbraw/zinc/57/19/41/976571941.db2.gz KOZNBJKLNAYIMF-QMMMGPOBSA-N 0 1 226.276 2.004 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2ncn(C)c2c1 ZINC001174347206 976576542 /nfs/dbraw/zinc/57/65/42/976576542.db2.gz FMCNQLFVEPYTDI-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN c1nnc(Nc2ccc3ncsc3c2)o1 ZINC001174363212 976607389 /nfs/dbraw/zinc/60/73/89/976607389.db2.gz LJCFMYUYFFFZNL-UHFFFAOYSA-N 0 1 218.241 2.423 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)C1CCOCC1 ZINC001228994755 976623278 /nfs/dbraw/zinc/62/32/78/976623278.db2.gz GBGBSSGWBJIVFT-SECBINFHSA-N 0 1 247.298 2.152 20 0 BEADMN CC1(C)CC[C@@H](COc2nnc3c[nH]ccc2-3)O1 ZINC001228996175 976625847 /nfs/dbraw/zinc/62/58/47/976625847.db2.gz LFIOJYVGKQRPSZ-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)C1CC1 ZINC001228996259 976627114 /nfs/dbraw/zinc/62/71/14/976627114.db2.gz NNPQWTNAPMPOGF-ZETCQYMHSA-N 0 1 203.245 2.135 20 0 BEADMN COc1nnc(CN[C@H]2CCCC[C@H]2C)s1 ZINC001334770404 976637489 /nfs/dbraw/zinc/63/74/89/976637489.db2.gz DNEPVKVKVKVMDM-BDAKNGLRSA-N 0 1 241.360 2.215 20 0 BEADMN c1cc2c(nccc2Nc2ccncc2)[nH]1 ZINC001174408981 976694359 /nfs/dbraw/zinc/69/43/59/976694359.db2.gz DEDNQKVJLILRQI-UHFFFAOYSA-N 0 1 210.240 2.075 20 0 BEADMN Cc1nc(Nc2ccc3cn[nH]c3c2)cc(=O)[nH]1 ZINC001174498138 976717291 /nfs/dbraw/zinc/71/72/91/976717291.db2.gz WWRZQZHYGIFEDV-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN COc1cnc(Nc2ccc3cn[nH]c3c2)cn1 ZINC001174497854 976717976 /nfs/dbraw/zinc/71/79/76/976717976.db2.gz MSYCXPLENFPRGQ-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2cn[nH]c2c1 ZINC001174498579 976722893 /nfs/dbraw/zinc/72/28/93/976722893.db2.gz PRSYLVKMKSRXFT-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174498579 976722907 /nfs/dbraw/zinc/72/29/07/976722907.db2.gz PRSYLVKMKSRXFT-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cn1nccc1Nc1ccc2c[nH]nc2c1 ZINC001174499123 976730563 /nfs/dbraw/zinc/73/05/63/976730563.db2.gz MHXKNGWCSMIKBH-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1nccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499477 976731728 /nfs/dbraw/zinc/73/17/28/976731728.db2.gz RIUWFONOHZUVRC-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCOc1ncccc1Nc1c(C)ncn1C ZINC001174457287 976737737 /nfs/dbraw/zinc/73/77/37/976737737.db2.gz PSHUNWGECBCZES-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN CCCC[C@@H](CC)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229120397 976758027 /nfs/dbraw/zinc/75/80/27/976758027.db2.gz RUOKHFOYASRHHQ-SSDOTTSWSA-N 0 1 244.266 2.375 20 0 BEADMN CCCCC[C@H](C)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229119032 976758799 /nfs/dbraw/zinc/75/87/99/976758799.db2.gz FNWGFZNMQUIZJC-ZETCQYMHSA-N 0 1 244.266 2.375 20 0 BEADMN O=c1cc(Nc2ccc3c[nH]nc3c2)cc[nH]1 ZINC001174499786 976766710 /nfs/dbraw/zinc/76/67/10/976766710.db2.gz XFTSPHJVIBZJMH-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Cc1n[nH]cc1Nc1ccc2nccn2c1 ZINC001174470500 976777069 /nfs/dbraw/zinc/77/70/69/976777069.db2.gz QJZITKKFXBOEBQ-UHFFFAOYSA-N 0 1 213.244 2.109 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H](CF)C2)cnc1F ZINC001335088472 976846111 /nfs/dbraw/zinc/84/61/11/976846111.db2.gz DYKVNMSBKPXJPH-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN COc1nc(Cl)cnc1NC=C(C)C ZINC001174554332 976857337 /nfs/dbraw/zinc/85/73/37/976857337.db2.gz NIRLMNXTYZKDND-UHFFFAOYSA-N 0 1 213.668 2.474 20 0 BEADMN O=C(c1cc2c(Cl)[nH]ccc-2n1)N1CC=CC1 ZINC001174556840 976864216 /nfs/dbraw/zinc/86/42/16/976864216.db2.gz VLBWSFWUMBREID-UHFFFAOYSA-N 0 1 247.685 2.228 20 0 BEADMN CCC[C@@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229440950 976872795 /nfs/dbraw/zinc/87/27/95/976872795.db2.gz PWFBXRCCNJZHGM-SSDOTTSWSA-N 0 1 220.276 2.229 20 0 BEADMN CCn1cc(-n2c(N)nc3ccc(C)cc32)cn1 ZINC001174566250 976881928 /nfs/dbraw/zinc/88/19/28/976881928.db2.gz LFSFSTXDCVVIKI-UHFFFAOYSA-N 0 1 241.298 2.133 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NCc1nc(C2CC2)no1 ZINC001335261954 976909124 /nfs/dbraw/zinc/90/91/24/976909124.db2.gz HUMLGWMCNSDHBM-MWLCHTKSSA-N 0 1 233.315 2.391 20 0 BEADMN O=C([O-])Cc1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000699218900 976912530 /nfs/dbraw/zinc/91/25/30/976912530.db2.gz WLYLJDIXNJGXLC-JSGCOSHPSA-N 0 1 245.322 2.156 20 0 BEADMN Nc1cncn1-c1ccc(C(F)F)cc1 ZINC001174714352 976971168 /nfs/dbraw/zinc/97/11/68/976971168.db2.gz QTTJZGHVMYJNNL-UHFFFAOYSA-N 0 1 209.199 2.392 20 0 BEADMN c1cc2ccc(Nc3nnco3)cc2[nH]1 ZINC001174746359 977040704 /nfs/dbraw/zinc/04/07/04/977040704.db2.gz CJYHKMMIDWARCU-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN Cn1cc(CN2CC=CCC2)c(C2CC2)n1 ZINC001335483303 977088615 /nfs/dbraw/zinc/08/86/15/977088615.db2.gz QOYCOOYZDBPPPP-UHFFFAOYSA-N 0 1 217.316 2.059 20 0 BEADMN CCCCCC[C@H](O)CNCc1ocnc1C ZINC001335492790 977094701 /nfs/dbraw/zinc/09/47/01/977094701.db2.gz OTCLQUWUIHAVSJ-LBPRGKRZSA-N 0 1 240.347 2.404 20 0 BEADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCCOC1 ZINC001230223838 977131021 /nfs/dbraw/zinc/13/10/21/977131021.db2.gz VOECSMKOOXTTKK-LLVKDONJSA-N 0 1 232.283 2.429 20 0 BEADMN Cc1cc2[nH]ncc2cc1O[C@H]1COC[C@@H]1C ZINC001230223066 977133543 /nfs/dbraw/zinc/13/35/43/977133543.db2.gz LBOBIGLMNKWXIN-ZANVPECISA-N 0 1 232.283 2.285 20 0 BEADMN CO[C@H](C)COc1cc2cn[nH]c2cc1C ZINC001230222182 977134265 /nfs/dbraw/zinc/13/42/65/977134265.db2.gz DTBLJQJPTAOQLS-SECBINFHSA-N 0 1 220.272 2.285 20 0 BEADMN CN(C)c1ccc(Nc2cncn2C)cc1 ZINC001174877599 977139768 /nfs/dbraw/zinc/13/97/68/977139768.db2.gz KAKDMDQFQBPKQQ-UHFFFAOYSA-N 0 1 216.288 2.230 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CCCC[C@@H]2C)n1 ZINC001230280552 977157561 /nfs/dbraw/zinc/15/75/61/977157561.db2.gz VFGLYAOXCCEMBH-WPRPVWTQSA-N 0 1 238.287 2.154 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H]2CCCC[C@H]2C)n1 ZINC001230280549 977159707 /nfs/dbraw/zinc/15/97/07/977159707.db2.gz VFGLYAOXCCEMBH-PSASIEDQSA-N 0 1 238.287 2.154 20 0 BEADMN C[C@H](C1CC1)n1[nH]c(CC2CC2)cc1=O ZINC001335582018 977161043 /nfs/dbraw/zinc/16/10/43/977161043.db2.gz UFHLNHDUDXWYDP-MRVPVSSYSA-N 0 1 206.289 2.173 20 0 BEADMN CN(C)c1cccc(Nc2ccnc(CO)c2)c1 ZINC001174962686 977193832 /nfs/dbraw/zinc/19/38/32/977193832.db2.gz OPTXYAMYFPDVFH-UHFFFAOYSA-N 0 1 243.310 2.384 20 0 BEADMN COc1cc(Nc2c(C)ncn2C)cc(OC)c1 ZINC001175108375 977251014 /nfs/dbraw/zinc/25/10/14/977251014.db2.gz WLUPEESIPHZWHS-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN CO[C@H]1CCCN([C@@H](C)c2ncccn2)CC1 ZINC001335745122 977259018 /nfs/dbraw/zinc/25/90/18/977259018.db2.gz JZTYRQYALYHLFI-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN Cn1ccc(N2N=C3CCCCCC[C@@H]3C2=O)n1 ZINC001335837841 977313580 /nfs/dbraw/zinc/31/35/80/977313580.db2.gz SSYHJARLZAXSEK-JTQLQIEISA-N 0 1 246.314 2.093 20 0 BEADMN CCOc1ccc(Nc2nnco2)c(F)c1 ZINC001175247525 977345037 /nfs/dbraw/zinc/34/50/37/977345037.db2.gz ZWSOKHLMQPHVKP-UHFFFAOYSA-N 0 1 223.207 2.351 20 0 BEADMN COc1nc(Nc2ccc(C)cc2F)cc(=O)[nH]1 ZINC001175320255 977368406 /nfs/dbraw/zinc/36/84/06/977368406.db2.gz BTRCSMJYOBXRFG-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN Cc1c2c[nH]nc2ccc1Nc1cncn1C ZINC001175464848 977433031 /nfs/dbraw/zinc/43/30/31/977433031.db2.gz DXMYNIODLMRRJL-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1c2c[nH]nc2ccc1Nc1ccncc1 ZINC001175466534 977433468 /nfs/dbraw/zinc/43/34/68/977433468.db2.gz SCJKTBIXQIKPCA-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN CCc1csc([C@@H](C)NC[C@@H](O)C2CC2)n1 ZINC001336038522 977444651 /nfs/dbraw/zinc/44/46/51/977444651.db2.gz ZFDFQCDZSMWPRE-LDYMZIIASA-N 0 1 240.372 2.127 20 0 BEADMN OC[C@@H](NCc1ccncc1)c1cccc(F)c1 ZINC001336039892 977450706 /nfs/dbraw/zinc/45/07/06/977450706.db2.gz UULANIQURURJBS-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN Cn1cc2cccc(Nc3nccn3C)c2n1 ZINC001175455705 977469797 /nfs/dbraw/zinc/46/97/97/977469797.db2.gz OPWDOLXPUWTMOS-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cnc[nH]c1=O ZINC001175524917 977505566 /nfs/dbraw/zinc/50/55/66/977505566.db2.gz XAZYPVUJPBZDRL-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cncnc1 ZINC001175526536 977508532 /nfs/dbraw/zinc/50/85/32/977508532.db2.gz YFSASKXRIOZODH-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cccc(CO)c1NC1=CCCN(C)C1 ZINC001175582419 977511383 /nfs/dbraw/zinc/51/13/83/977511383.db2.gz BHWWBARJNJPWBR-UHFFFAOYSA-N 0 1 232.327 2.119 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](CF)C1 ZINC000711489720 977551293 /nfs/dbraw/zinc/55/12/93/977551293.db2.gz KOPJCCSAYVGLOO-IUCAKERBSA-N 0 1 241.262 2.330 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711491142 977551373 /nfs/dbraw/zinc/55/13/73/977551373.db2.gz PHLNLBOZANCIDW-MRVPVSSYSA-N 0 1 243.303 2.238 20 0 BEADMN Cn1ncc2c1ncnc2NC=CC(C)(C)C ZINC001175569431 977558496 /nfs/dbraw/zinc/55/84/96/977558496.db2.gz QIGMRICIJVLAKE-AATRIKPKSA-N 0 1 231.303 2.335 20 0 BEADMN COc1cncc(NC=CC(C)(C)C)n1 ZINC001175569464 977559074 /nfs/dbraw/zinc/55/90/74/977559074.db2.gz SDNUXJIOEXYMQT-AATRIKPKSA-N 0 1 207.277 2.457 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C ZINC001594220015 977562505 /nfs/dbraw/zinc/56/25/05/977562505.db2.gz CVIYNYLZALTWIY-NXEZZACHSA-N 0 1 245.388 2.456 20 0 BEADMN CN1CCC=C(Nc2csc3nccnc23)C1 ZINC001175574800 977568459 /nfs/dbraw/zinc/56/84/59/977568459.db2.gz DLWPPRDYGADHSK-UHFFFAOYSA-N 0 1 246.339 2.323 20 0 BEADMN Cc1cnc(NC2=CCCN(C)C2)c(C)c1 ZINC001175575164 977570360 /nfs/dbraw/zinc/57/03/60/977570360.db2.gz MMNQPCJVCNVGTR-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN Cc1cc(C)c(NC2=CCCN(C)C2)cn1 ZINC001175574966 977573729 /nfs/dbraw/zinc/57/37/29/977573729.db2.gz HNKWNHOJKWCHOH-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN Cc1nc(Cl)cc(NC2=CCCN(C)C2)n1 ZINC001175574133 977575384 /nfs/dbraw/zinc/57/53/84/977575384.db2.gz MZBJTHVBZNSWMV-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN CN1CCC=C(Nc2cc(F)nc(F)c2F)C1 ZINC001175577757 977587414 /nfs/dbraw/zinc/58/74/14/977587414.db2.gz XPBFUSHHKUDMKI-UHFFFAOYSA-N 0 1 243.232 2.130 20 0 BEADMN CN1CCC=C(Nc2cnc3occc3c2)C1 ZINC001175577395 977588494 /nfs/dbraw/zinc/58/84/94/977588494.db2.gz RTXXAPMYKBQWTJ-UHFFFAOYSA-N 0 1 229.283 2.459 20 0 BEADMN CCc1cccc(NC2=CCCN(C)C2)n1 ZINC001175576896 977591720 /nfs/dbraw/zinc/59/17/20/977591720.db2.gz LDDYZNWRHGPLJN-UHFFFAOYSA-N 0 1 217.316 2.275 20 0 BEADMN COc1ccc(NC2=CCCN(C)C2)c(OC)c1 ZINC001175578168 977593199 /nfs/dbraw/zinc/59/31/99/977593199.db2.gz DYCQCMFEQGWHQP-UHFFFAOYSA-N 0 1 248.326 2.335 20 0 BEADMN CN1CCC=C(Nc2cc(F)c(O)c(F)c2)C1 ZINC001175578542 977594451 /nfs/dbraw/zinc/59/44/51/977594451.db2.gz FPECIODCZWRIAD-UHFFFAOYSA-N 0 1 240.253 2.302 20 0 BEADMN CN1CCC=C(Nc2ccccc2O)C1 ZINC001175580314 977595182 /nfs/dbraw/zinc/59/51/82/977595182.db2.gz LXIGKWFZGYXXPO-UHFFFAOYSA-N 0 1 204.273 2.024 20 0 BEADMN Cc1ccc(O)c(NC2=CCCN(C)C2)c1 ZINC001175578915 977595490 /nfs/dbraw/zinc/59/54/90/977595490.db2.gz KWFXKFOGHVFKBJ-UHFFFAOYSA-N 0 1 218.300 2.332 20 0 BEADMN COc1cc(F)cc(NC2=CCCN(C)C2)c1 ZINC001175580784 977603681 /nfs/dbraw/zinc/60/36/81/977603681.db2.gz SZRBNQZOOWVIPR-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN Cc1c(F)ccc(CN(C)CC2COC2)c1F ZINC001231478062 977604391 /nfs/dbraw/zinc/60/43/91/977604391.db2.gz VTRSAEHZFBQZMG-UHFFFAOYSA-N 0 1 241.281 2.351 20 0 BEADMN CC1(C)COCCN1Cc1c[nH]c2cnccc12 ZINC001231519199 977621775 /nfs/dbraw/zinc/62/17/75/977621775.db2.gz ZGDBDMBEKOLQAH-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cnn(C)c3)cc12 ZINC001175693015 977622533 /nfs/dbraw/zinc/62/25/33/977622533.db2.gz VKGUPWZNRFANBN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cnccc23)C[C@@H]1F ZINC001231514934 977623463 /nfs/dbraw/zinc/62/34/63/977623463.db2.gz ZRSXNCHHWRLODU-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN F[C@H]1CN(Cc2c[nH]c3cnccc23)C[C@@H]2C[C@@H]21 ZINC001231515338 977625405 /nfs/dbraw/zinc/62/54/05/977625405.db2.gz HHDYIXHYGRHORZ-XDTLVQLUSA-N 0 1 245.301 2.353 20 0 BEADMN Cc1[nH]nc2cc(Nc3ccn(C)n3)ccc12 ZINC001175657867 977634639 /nfs/dbraw/zinc/63/46/39/977634639.db2.gz PKHOVKPZKHCKKV-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nnc(Nc2ccc3c(c2)n[nH]c3C)o1 ZINC001175659841 977637319 /nfs/dbraw/zinc/63/73/19/977637319.db2.gz PJUKALRJIVLHRO-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Cc1[nH]nc2cc(Nc3cnn(C)c3)ccc12 ZINC001175660459 977639789 /nfs/dbraw/zinc/63/97/89/977639789.db2.gz ZXJVWSHDFBGDJV-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1cc(F)ccc1CN1CC[C@H](OC)C1 ZINC001231600531 977650050 /nfs/dbraw/zinc/65/00/50/977650050.db2.gz PTNMJZKJBMRBHZ-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CCc1ccc(CN2CC[C@H](C(C)=O)C2)nc1 ZINC001231642562 977658063 /nfs/dbraw/zinc/65/80/63/977658063.db2.gz GIYOMJPRTMOWDE-ZDUSSCGKSA-N 0 1 232.327 2.055 20 0 BEADMN CCc1ccc(CN2CC([C@H](C)OC)C2)nc1 ZINC001231643077 977659110 /nfs/dbraw/zinc/65/91/10/977659110.db2.gz XWPULSXSGDWDCT-NSHDSACASA-N 0 1 234.343 2.111 20 0 BEADMN CCOc1ccc(CN2CC[C@H]2C)cn1 ZINC001231650381 977666597 /nfs/dbraw/zinc/66/65/97/977666597.db2.gz ZFCYISGTRFUGFO-SNVBAGLBSA-N 0 1 206.289 2.075 20 0 BEADMN FC[C@H]1CCCN1Cc1cc2cc[nH]c2cn1 ZINC001231671505 977681620 /nfs/dbraw/zinc/68/16/20/977681620.db2.gz QLMYADAWDRAABQ-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001231669528 977682644 /nfs/dbraw/zinc/68/26/44/977682644.db2.gz IECIRMFFWDYQBE-LLVKDONJSA-N 0 1 238.306 2.420 20 0 BEADMN Cc1ccc(O)c(CN2CCCC[C@@H](F)C2)n1 ZINC001231669528 977682654 /nfs/dbraw/zinc/68/26/54/977682654.db2.gz IECIRMFFWDYQBE-LLVKDONJSA-N 0 1 238.306 2.420 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NCc1cc(N)ccn1 ZINC001330985899 977690316 /nfs/dbraw/zinc/69/03/16/977690316.db2.gz YLHWKCRVJXGOQI-JTQLQIEISA-N 0 1 249.358 2.352 20 0 BEADMN c1nn(C2CCC2)cc1Nc1ccncc1 ZINC001175754636 977707205 /nfs/dbraw/zinc/70/72/05/977707205.db2.gz KYHAVRMJZBMNIF-UHFFFAOYSA-N 0 1 214.272 2.169 20 0 BEADMN OCc1cc(Nc2cnn(C3CCC3)c2)ccn1 ZINC001175761077 977717578 /nfs/dbraw/zinc/71/75/78/977717578.db2.gz VIFUYAWKZOYBIF-UHFFFAOYSA-N 0 1 244.298 2.239 20 0 BEADMN CCOc1ncccc1CN(CC)CC ZINC001231760875 977737238 /nfs/dbraw/zinc/73/72/38/977737238.db2.gz OTUPFSKQKYYCSO-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN CCOc1ncccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001231766239 977740968 /nfs/dbraw/zinc/74/09/68/977740968.db2.gz ZJAVRVOUTSMKRV-YPMHNXCESA-N 0 1 232.327 2.465 20 0 BEADMN COc1cc(Nc2nonc2N)ccc1Cl ZINC001175771193 977744430 /nfs/dbraw/zinc/74/44/30/977744430.db2.gz YLSMDMPXWYFWBS-UHFFFAOYSA-N 0 1 240.650 2.057 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001231790271 977746602 /nfs/dbraw/zinc/74/66/02/977746602.db2.gz PCDLPKGGJREXTJ-NSHDSACASA-N 0 1 249.310 2.134 20 0 BEADMN Nc1nccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC001336532308 977758133 /nfs/dbraw/zinc/75/81/33/977758133.db2.gz PALKCDBPMNMDJR-GMTAPVOTSA-N 0 1 232.331 2.440 20 0 BEADMN COCCCCN1CCCC[C@H]1c1ncccn1 ZINC001175846176 977762054 /nfs/dbraw/zinc/76/20/54/977762054.db2.gz WGKFAFRSWXWDSO-ZDUSSCGKSA-N 0 1 249.358 2.430 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cc(C)cc[nH+]2)n[nH]1 ZINC001336549492 977767215 /nfs/dbraw/zinc/76/72/15/977767215.db2.gz XJPCAFRRSVALFA-SNVBAGLBSA-N 0 1 230.315 2.465 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cc(C)cc[nH+]2)n[nH]1 ZINC001336549491 977768380 /nfs/dbraw/zinc/76/83/80/977768380.db2.gz XJPCAFRRSVALFA-JTQLQIEISA-N 0 1 230.315 2.465 20 0 BEADMN CCCOc1ncccc1CN1CCCC1 ZINC001231860066 977770250 /nfs/dbraw/zinc/77/02/50/977770250.db2.gz PRCVSRJFTQZIPQ-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ccc(F)cn2)[nH]n1 ZINC001336560896 977781112 /nfs/dbraw/zinc/78/11/12/977781112.db2.gz WFHJHGIAMBREQG-QMMMGPOBSA-N 0 1 234.278 2.295 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ccc(F)cn2)[nH]n1 ZINC001336560895 977782718 /nfs/dbraw/zinc/78/27/18/977782718.db2.gz WFHJHGIAMBREQG-MRVPVSSYSA-N 0 1 234.278 2.295 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2c[nH]nc2c1 ZINC001231905566 977790167 /nfs/dbraw/zinc/79/01/67/977790167.db2.gz OTQGTIGTXQRXDK-BXKDBHETSA-N 0 1 233.290 2.495 20 0 BEADMN COc1cnc(CN2CCC23CCCC3)cn1 ZINC001231939485 977807387 /nfs/dbraw/zinc/80/73/87/977807387.db2.gz WWNVTPMCBFVPAO-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@H]1CN2CCC1CC2 ZINC001336615289 977813069 /nfs/dbraw/zinc/81/30/69/977813069.db2.gz JTDUGYOXPLXLDF-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001336615290 977813230 /nfs/dbraw/zinc/81/32/30/977813230.db2.gz JTDUGYOXPLXLDF-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(Nc2ccncc2)cc(C)c1N ZINC001175930992 977816422 /nfs/dbraw/zinc/81/64/22/977816422.db2.gz FHUVVXSSKCCQKN-UHFFFAOYSA-N 0 1 213.284 2.446 20 0 BEADMN c1nn(C2CC2)cc1Nc1nonc1C1CC1 ZINC001175961606 977828984 /nfs/dbraw/zinc/82/89/84/977828984.db2.gz JTUXEXWXQXBGOV-UHFFFAOYSA-N 0 1 231.259 2.222 20 0 BEADMN CC(C)(CNc1nccnc1CN)C1=CCCC1 ZINC001336649013 977829701 /nfs/dbraw/zinc/82/97/01/977829701.db2.gz HMXKBCIYHLUZTF-UHFFFAOYSA-N 0 1 246.358 2.484 20 0 BEADMN Cc1nn(C)c(C)c1Nc1ccc2nn[nH]c2c1 ZINC001175999192 977853760 /nfs/dbraw/zinc/85/37/60/977853760.db2.gz OOVMIVKLDGBHFN-UHFFFAOYSA-N 0 1 242.286 2.052 20 0 BEADMN Cc1nn(C)c(C)c1Nc1ccc2n[nH]nc2c1 ZINC001175999192 977853765 /nfs/dbraw/zinc/85/37/65/977853765.db2.gz OOVMIVKLDGBHFN-UHFFFAOYSA-N 0 1 242.286 2.052 20 0 BEADMN Cc1ccc(O)c(Nc2ccc3nn[nH]c3c2)n1 ZINC001175999552 977854899 /nfs/dbraw/zinc/85/48/99/977854899.db2.gz ZEOVKGJCMNNOSP-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1ccc(O)c(Nc2ccc3n[nH]nc3c2)n1 ZINC001175999552 977854904 /nfs/dbraw/zinc/85/49/04/977854904.db2.gz ZEOVKGJCMNNOSP-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1ccncc1Nc1ccc2nn[nH]c2c1 ZINC001175996324 977856975 /nfs/dbraw/zinc/85/69/75/977856975.db2.gz PRYMDFFMTKFUHT-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccncc1Nc1ccc2n[nH]nc2c1 ZINC001175996324 977856980 /nfs/dbraw/zinc/85/69/80/977856980.db2.gz PRYMDFFMTKFUHT-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Fc1cccnc1Nc1ccc2nn[nH]c2c1 ZINC001175996386 977858217 /nfs/dbraw/zinc/85/82/17/977858217.db2.gz RVPAWIRKVWROHZ-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1cccnc1Nc1ccc2n[nH]nc2c1 ZINC001175996386 977858222 /nfs/dbraw/zinc/85/82/22/977858222.db2.gz RVPAWIRKVWROHZ-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Oc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176006249 977862043 /nfs/dbraw/zinc/86/20/43/977862043.db2.gz YROBJHOCPPTQGV-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Oc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176006249 977862046 /nfs/dbraw/zinc/86/20/46/977862046.db2.gz YROBJHOCPPTQGV-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2c1OCC2 ZINC001176075540 977871151 /nfs/dbraw/zinc/87/11/51/977871151.db2.gz QOFQMGRPBYBVPD-UHFFFAOYSA-N 0 1 229.283 2.407 20 0 BEADMN COC(=O)c1scc(C)c1Nc1ncc[nH]1 ZINC001176079480 977873636 /nfs/dbraw/zinc/87/36/36/977873636.db2.gz KBTAIJVIESUTIK-UHFFFAOYSA-N 0 1 237.284 2.310 20 0 BEADMN O=c1oc2ccccc2cc1Nc1ncc[nH]1 ZINC001176079252 977874044 /nfs/dbraw/zinc/87/40/44/977874044.db2.gz GSGWEGXGMKKSBN-UHFFFAOYSA-N 0 1 227.223 2.260 20 0 BEADMN COc1cccc(Nc2ncc[nH]2)c1F ZINC001176084205 977884064 /nfs/dbraw/zinc/88/40/64/977884064.db2.gz GNAXNXUWTBYHSP-UHFFFAOYSA-N 0 1 207.208 2.301 20 0 BEADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)c(C)n1 ZINC001232085319 977884032 /nfs/dbraw/zinc/88/40/32/977884032.db2.gz QSBVIBOOYSWPHQ-OKILXGFUSA-N 0 1 244.338 2.109 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCCOC3)c(C)n1 ZINC001232080714 977885954 /nfs/dbraw/zinc/88/59/54/977885954.db2.gz JXGRAIDDECBHCG-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN C[C@H]1COCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232090601 977889416 /nfs/dbraw/zinc/88/94/16/977889416.db2.gz KXJPOYBFRDETEX-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN CC(=O)Oc1ccc(F)c(Nc2ncc[nH]2)c1 ZINC001176090260 977890755 /nfs/dbraw/zinc/89/07/55/977890755.db2.gz AIEDHMSJOYOBCJ-UHFFFAOYSA-N 0 1 235.218 2.218 20 0 BEADMN CC1(C)CN(Cc2cc3ccncc3[nH]2)C1 ZINC001232088789 977890771 /nfs/dbraw/zinc/89/07/71/977890771.db2.gz JFFCSYXLZUIHFL-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN [O-]c1c(F)c(F)ccc1Nc1[nH]cc[nH+]1 ZINC001176085673 977891252 /nfs/dbraw/zinc/89/12/52/977891252.db2.gz NPQORBKBYDUPDC-UHFFFAOYSA-N 0 1 211.171 2.137 20 0 BEADMN Cn1cc(CN2CC3(CCC3)C2)c(C2CC2)n1 ZINC001232168776 977906263 /nfs/dbraw/zinc/90/62/63/977906263.db2.gz XJRAYQBVSRSBMU-UHFFFAOYSA-N 0 1 231.343 2.283 20 0 BEADMN FCC1CCN(Cc2ccns2)CC1 ZINC001232191875 977911874 /nfs/dbraw/zinc/91/18/74/977911874.db2.gz LEJGCTZTGCSXKS-UHFFFAOYSA-N 0 1 214.309 2.325 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC001595048438 977924897 /nfs/dbraw/zinc/92/48/97/977924897.db2.gz RZLSZROFJKDCIM-CYBMUJFWSA-N 0 1 248.326 2.126 20 0 BEADMN CC1(C)COc2c(N=C3CCOCC3)cnn2C1 ZINC001176141989 977925870 /nfs/dbraw/zinc/92/58/70/977925870.db2.gz NZUICZMQVSNKAS-UHFFFAOYSA-N 0 1 249.314 2.018 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001595048443 977927724 /nfs/dbraw/zinc/92/77/24/977927724.db2.gz SFLRPIIHMCGCBL-GFCCVEGCSA-N 0 1 237.274 2.437 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC001595048439 977928753 /nfs/dbraw/zinc/92/87/53/977928753.db2.gz RZLSZROFJKDCIM-ZDUSSCGKSA-N 0 1 248.326 2.126 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](O)[C@H](C)C1 ZINC001232207469 977929925 /nfs/dbraw/zinc/92/99/25/977929925.db2.gz CHBUZFFOPBSVOA-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN COC[C@@H]1CCCN1Cc1ncsc1C ZINC001232204710 977930728 /nfs/dbraw/zinc/93/07/28/977930728.db2.gz VXIQOQYRIWOTFY-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ccc2ccc(F)c(-n3cncc3N)c2n1 ZINC001176113410 977946010 /nfs/dbraw/zinc/94/60/10/977946010.db2.gz BCIDCLURGCLJDU-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001595091695 977948790 /nfs/dbraw/zinc/94/87/90/977948790.db2.gz DECCZIPHGNURGI-LLVKDONJSA-N 0 1 241.237 2.186 20 0 BEADMN O=C([O-])C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001595096897 977949952 /nfs/dbraw/zinc/94/99/52/977949952.db2.gz DEIVSFLPNFVKNU-BTTYYORXSA-N 0 1 245.322 2.482 20 0 BEADMN Cc1ncc(CNC(C)(C)/C=C\Cl)cn1 ZINC001336783473 977955845 /nfs/dbraw/zinc/95/58/45/977955845.db2.gz AKAMHDCZYBGVOF-PLNGDYQASA-N 0 1 225.723 2.406 20 0 BEADMN Cc1csc(CCC(=O)NCc2cnc[nH]2)c1 ZINC001176170153 977973743 /nfs/dbraw/zinc/97/37/43/977973743.db2.gz RKZYQTUWMSHHFI-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN CCCC[N@@H+](C)Cc1cccc(COC)n1 ZINC001232251327 977979465 /nfs/dbraw/zinc/97/94/65/977979465.db2.gz RYEWARLFTYAWSV-UHFFFAOYSA-N 0 1 222.332 2.460 20 0 BEADMN Cc1noc(C)c1Nc1cnc(C)n1C ZINC001176177850 977980934 /nfs/dbraw/zinc/98/09/34/977980934.db2.gz PQYPPLXANXTGMT-UHFFFAOYSA-N 0 1 206.249 2.077 20 0 BEADMN CN1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cs1 ZINC001232280008 977985897 /nfs/dbraw/zinc/98/58/97/977985897.db2.gz JUAJTDPKLQBLDF-UWVGGRQHSA-N 0 1 242.775 2.290 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C/c1cccc(F)c1 ZINC001595201165 977991877 /nfs/dbraw/zinc/99/18/77/977991877.db2.gz DMXBQBJIRUFSAE-ADQTWTKMSA-N 0 1 249.285 2.388 20 0 BEADMN COCn1ncc(C)c1CN1CC(CC2CC2)C1 ZINC001336837472 977995383 /nfs/dbraw/zinc/99/53/83/977995383.db2.gz VGMHWNSWHVBTIS-UHFFFAOYSA-N 0 1 249.358 2.027 20 0 BEADMN Nc1nonc1Nc1cccc(Cl)c1 ZINC001176220105 978001575 /nfs/dbraw/zinc/00/15/75/978001575.db2.gz XZNGYXCNRZTUFN-UHFFFAOYSA-N 0 1 210.624 2.049 20 0 BEADMN CSc1ccc(CN2C[C@@H]3C[C@@H]3C2)cn1 ZINC001232326434 978007117 /nfs/dbraw/zinc/00/71/17/978007117.db2.gz HNMOENSLSUVGGB-PHIMTYICSA-N 0 1 220.341 2.255 20 0 BEADMN Cc1nc(N)ccc1CN1CCCC[C@@H](F)C1 ZINC001232340254 978018402 /nfs/dbraw/zinc/01/84/02/978018402.db2.gz MYQUYOWMYMUSPY-GFCCVEGCSA-N 0 1 237.322 2.296 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2nonc2c1 ZINC001176329533 978030016 /nfs/dbraw/zinc/03/00/16/978030016.db2.gz UUWMZVYRIUQGJG-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN COc1cc(Cl)cc(-n2cncc2N)c1 ZINC001176342852 978030741 /nfs/dbraw/zinc/03/07/41/978030741.db2.gz RORKNUUQNQXNGT-UHFFFAOYSA-N 0 1 223.663 2.117 20 0 BEADMN CCOc1ccc(OC)cc1CN(C)C ZINC001232381568 978044236 /nfs/dbraw/zinc/04/42/36/978044236.db2.gz AKEDUTKTSWFJLR-UHFFFAOYSA-N 0 1 209.289 2.156 20 0 BEADMN Fc1ccc2nc(CN3CCC4(CC4)C3)cn2c1 ZINC001232410492 978053406 /nfs/dbraw/zinc/05/34/06/978053406.db2.gz GYYVKIULOWHWLO-UHFFFAOYSA-N 0 1 245.301 2.459 20 0 BEADMN C(c1[nH]nc2c1CCC2)N1CCCCC12CC2 ZINC001232429302 978074497 /nfs/dbraw/zinc/07/44/97/978074497.db2.gz KAPQMSYQWQAKBP-UHFFFAOYSA-N 0 1 231.343 2.417 20 0 BEADMN COc1cc(CN(C)CC2CCC2)sn1 ZINC001176474848 978096237 /nfs/dbraw/zinc/09/62/37/978096237.db2.gz UBSADAMRXKJKJZ-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN Cc1nc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c[nH]1 ZINC001232460994 978101374 /nfs/dbraw/zinc/10/13/74/978101374.db2.gz XMTYLFVKVAWJSF-KOLCDFICSA-N 0 1 241.285 2.195 20 0 BEADMN Nc1cncn1-c1cccc(OCC2CC2)c1 ZINC001176493438 978103760 /nfs/dbraw/zinc/10/37/60/978103760.db2.gz QHBNRNRVYHDSIS-UHFFFAOYSA-N 0 1 229.283 2.243 20 0 BEADMN COc1cccc2c1CN(Cc1cnc(C)[nH]1)C2 ZINC001232465006 978105229 /nfs/dbraw/zinc/10/52/29/978105229.db2.gz QHCWWPVNRYXIPJ-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN Nc1cncn1-c1cccc(OC(F)(F)F)c1 ZINC001176537010 978119989 /nfs/dbraw/zinc/11/99/89/978119989.db2.gz BQIYKEAQZMHWHB-UHFFFAOYSA-N 0 1 243.188 2.353 20 0 BEADMN CCN(CCc1ccccn1)Cc1cc(C)n[nH]1 ZINC001337017877 978129571 /nfs/dbraw/zinc/12/95/71/978129571.db2.gz AWJWTWLCDRVTPC-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN CSCCN(C)Cc1cc(F)ccn1 ZINC001232497637 978152417 /nfs/dbraw/zinc/15/24/17/978152417.db2.gz IHIVZOHWWQBFEN-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN COc1cncc(OC)c1CN1CCC[C@H]1C ZINC001232500125 978152952 /nfs/dbraw/zinc/15/29/52/978152952.db2.gz FMOQFMQVNCLVAY-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN CCCC1(CNc2nccnc2CN)CCC1 ZINC001337073479 978154886 /nfs/dbraw/zinc/15/48/86/978154886.db2.gz OJVNVIUHLXHHJS-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cc(F)ccn3)C[C@H]12 ZINC001232497933 978154985 /nfs/dbraw/zinc/15/49/85/978154985.db2.gz NPVQEXDWIIVIPJ-MFKMUULPSA-N 0 1 248.301 2.022 20 0 BEADMN FCc1cccc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC001232532847 978161598 /nfs/dbraw/zinc/16/15/98/978161598.db2.gz CWRAJUUBESXIGX-AOOOYVTPSA-N 0 1 206.264 2.003 20 0 BEADMN C[C@@H]1COCCN(Cc2cccc(CF)n2)C1 ZINC001232535913 978163527 /nfs/dbraw/zinc/16/35/27/978163527.db2.gz PJDQASRENIZQNK-NSHDSACASA-N 0 1 238.306 2.019 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1CC(=O)[O-] ZINC000722697543 978164620 /nfs/dbraw/zinc/16/46/20/978164620.db2.gz NDQKSGCQIGAGQW-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN FCc1cccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)n1 ZINC001232539846 978166979 /nfs/dbraw/zinc/16/69/79/978166979.db2.gz RKXMBKAEFJRTDK-XYYAHUGASA-N 0 1 238.281 2.198 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000723125124 978172249 /nfs/dbraw/zinc/17/22/49/978172249.db2.gz FTJZJEOPMCUPNV-WYUUTHIRSA-N 0 1 225.332 2.218 20 0 BEADMN COC[C@@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550310 978175475 /nfs/dbraw/zinc/17/54/75/978175475.db2.gz SVHOMZQQEKTIKK-LLVKDONJSA-N 0 1 246.310 2.296 20 0 BEADMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232549859 978175498 /nfs/dbraw/zinc/17/54/98/978175498.db2.gz NPSOLYYRZCMHDR-GWCFXTLKSA-N 0 1 246.310 2.031 20 0 BEADMN COC[C@@H]1CCC[N@H+]1Cc1cc2ccoc2cn1 ZINC001232550010 978176568 /nfs/dbraw/zinc/17/65/68/978176568.db2.gz PESOFGWGDBISBK-ZDUSSCGKSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc2ccoc2cn1 ZINC001232550302 978177348 /nfs/dbraw/zinc/17/73/48/978177348.db2.gz SGANBZWDSCNFAX-GWCFXTLKSA-N 0 1 246.310 2.173 20 0 BEADMN O[C@H]1CCCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550359 978178109 /nfs/dbraw/zinc/17/81/09/978178109.db2.gz UJLBCHNLCMUHLH-ZDUSSCGKSA-N 0 1 246.310 2.175 20 0 BEADMN CC1(C)C(CNc2nccnc2CN)C1(C)C ZINC001337144670 978184296 /nfs/dbraw/zinc/18/42/96/978184296.db2.gz BIWHDJUMQZJCEU-UHFFFAOYSA-N 0 1 234.347 2.029 20 0 BEADMN CCOc1ccnc(C[N@@H+](C)C(C)C)c1 ZINC001232579286 978187049 /nfs/dbraw/zinc/18/70/49/978187049.db2.gz MHBGZNFDFMDQJJ-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN CCOc1ccnc(CN2CC3CC(C3)C2)c1 ZINC001232588006 978190931 /nfs/dbraw/zinc/19/09/31/978190931.db2.gz PMSOGFTVUWSISE-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN C[C@@H]1C[C@H](NC(=O)Cc2cnc[nH]2)CC(C)(C)C1 ZINC001176836864 978204588 /nfs/dbraw/zinc/20/45/88/978204588.db2.gz RBWQWVOBGSFCIJ-MNOVXSKESA-N 0 1 249.358 2.283 20 0 BEADMN CC1(C)CN(Cc2cncc3cnccc32)C1 ZINC001232647697 978205413 /nfs/dbraw/zinc/20/54/13/978205413.db2.gz QKIVJOCYNQMWHZ-UHFFFAOYSA-N 0 1 227.311 2.472 20 0 BEADMN CN1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232737482 978253874 /nfs/dbraw/zinc/25/38/74/978253874.db2.gz ZVVNUHGIQDVXOK-UHFFFAOYSA-N 0 1 247.367 2.044 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(CCO)cc1 ZINC001232773589 978268302 /nfs/dbraw/zinc/26/83/02/978268302.db2.gz FMMKIZJMELXMOR-BXUZGUMPSA-N 0 1 237.318 2.154 20 0 BEADMN OCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001232776154 978273670 /nfs/dbraw/zinc/27/36/70/978273670.db2.gz GDPHMTMFNRVCLV-SOUVJXGZSA-N 0 1 249.329 2.011 20 0 BEADMN Cc1cc(CN(C)CC2COC2)c(F)cc1F ZINC001232783521 978277972 /nfs/dbraw/zinc/27/79/72/978277972.db2.gz ZOLHDBZFZMZSOV-UHFFFAOYSA-N 0 1 241.281 2.351 20 0 BEADMN CCCn1cnc(CN2CCC3(CCO3)CC2)c1 ZINC001232804368 978297175 /nfs/dbraw/zinc/29/71/75/978297175.db2.gz YZGQGBJFGPPIRT-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN Cc1nc(N2CCCC3(CN(C)C3)C2)ccc1F ZINC001277723731 978309669 /nfs/dbraw/zinc/30/96/69/978309669.db2.gz MZTKVBOFVUCFTE-UHFFFAOYSA-N 0 1 249.333 2.061 20 0 BEADMN Cc1cc(O)cc(CN2CC3(C2)CCCOC3)c1 ZINC001232879017 978313387 /nfs/dbraw/zinc/31/33/87/978313387.db2.gz YSMGGMXKDGSHNX-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN C[C@@H]1CCN1Cc1ccc2ncoc2c1 ZINC001232937997 978345629 /nfs/dbraw/zinc/34/56/29/978345629.db2.gz MJJGUKOGNCPHPL-SECBINFHSA-N 0 1 202.257 2.422 20 0 BEADMN C[C@H]1CCN1Cc1ccc2ncoc2c1 ZINC001232937998 978350703 /nfs/dbraw/zinc/35/07/03/978350703.db2.gz MJJGUKOGNCPHPL-VIFPVBQESA-N 0 1 202.257 2.422 20 0 BEADMN CC[N@@H+](C)Cc1cc([O-])c(F)c(F)c1 ZINC001232969756 978371894 /nfs/dbraw/zinc/37/18/94/978371894.db2.gz VVPTZUUMQKXITG-UHFFFAOYSA-N 0 1 201.216 2.122 20 0 BEADMN Cc1cc(C)c(CN2CC3(C2)CCOCC3)cn1 ZINC001233006820 978402250 /nfs/dbraw/zinc/40/22/50/978402250.db2.gz QJBAFEHZSMHYCC-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2cnc(C)cc2C)C1 ZINC001233009617 978404518 /nfs/dbraw/zinc/40/45/18/978404518.db2.gz GUVWQRJFFYRAIC-AWEZNQCLSA-N 0 1 246.354 2.499 20 0 BEADMN CCC[C@@H](OC)C(=O)Nc1ccc2cncn2c1 ZINC001598081116 978411291 /nfs/dbraw/zinc/41/12/91/978411291.db2.gz BJNCXGOFTIXNIV-GFCCVEGCSA-N 0 1 247.298 2.088 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC000149287963 978412348 /nfs/dbraw/zinc/41/23/48/978412348.db2.gz MBEAXQPXXWESDH-ZANVPECISA-N 0 1 249.285 2.220 20 0 BEADMN CN(C)c1ccc(CN2CCCC23CC3)c(F)n1 ZINC001233114788 978467566 /nfs/dbraw/zinc/46/75/66/978467566.db2.gz NLIUYFVEAZDPML-UHFFFAOYSA-N 0 1 249.333 2.415 20 0 BEADMN CC[N@H+]1CCN(Cc2cnc(C)c(C)c2)C[C@H]1C ZINC001233165022 978485724 /nfs/dbraw/zinc/48/57/24/978485724.db2.gz QDQWDYJBQGWNBY-CYBMUJFWSA-N 0 1 247.386 2.224 20 0 BEADMN COc1ccc(CNc2ccc3nn[nH]c3c2)o1 ZINC001178046522 978494891 /nfs/dbraw/zinc/49/48/91/978494891.db2.gz UADPEGYOQWORTJ-UHFFFAOYSA-N 0 1 244.254 2.172 20 0 BEADMN COc1ccc(CNc2ccc3n[nH]nc3c2)o1 ZINC001178046522 978494898 /nfs/dbraw/zinc/49/48/98/978494898.db2.gz UADPEGYOQWORTJ-UHFFFAOYSA-N 0 1 244.254 2.172 20 0 BEADMN Cc1ccc(CNc2nccnc2CN)c(C)c1 ZINC001337791200 978498361 /nfs/dbraw/zinc/49/83/61/978498361.db2.gz WIYMOQOMSWBHIX-UHFFFAOYSA-N 0 1 242.326 2.164 20 0 BEADMN Oc1ccc(CN2CCC2)cc1OCC1CC1 ZINC001233224337 978499160 /nfs/dbraw/zinc/49/91/60/978499160.db2.gz QGKVXUHYQMAEOJ-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ccc(C)c(O)c2)C1 ZINC001233234991 978506571 /nfs/dbraw/zinc/50/65/71/978506571.db2.gz LHNXVRPGHXCLSM-NSHDSACASA-N 0 1 235.327 2.167 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccc([S-])cc2)CCO1 ZINC001233259498 978517822 /nfs/dbraw/zinc/51/78/22/978517822.db2.gz VOUIFJHHJDGLRF-JTQLQIEISA-N 0 1 223.341 2.196 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc([S-])cc2)CCO1 ZINC001233259498 978517827 /nfs/dbraw/zinc/51/78/27/978517827.db2.gz VOUIFJHHJDGLRF-JTQLQIEISA-N 0 1 223.341 2.196 20 0 BEADMN [S-]c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001233258899 978518692 /nfs/dbraw/zinc/51/86/92/978518692.db2.gz YFXVNGJKRUMZJB-TXEJJXNPSA-N 0 1 235.352 2.339 20 0 BEADMN CC[C@@H]1COCCN1Cc1cccc2c1CCO2 ZINC001233277095 978524169 /nfs/dbraw/zinc/52/41/69/978524169.db2.gz NRJMFJITFNVPRI-CYBMUJFWSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccc3c2CCO3)[C@H](C)CO1 ZINC001233277500 978528353 /nfs/dbraw/zinc/52/83/53/978528353.db2.gz FLWGTJBUZYAHQV-VXGBXAGGSA-N 0 1 247.338 2.231 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCO3)[C@H](C)CO1 ZINC001233277500 978528360 /nfs/dbraw/zinc/52/83/60/978528360.db2.gz FLWGTJBUZYAHQV-VXGBXAGGSA-N 0 1 247.338 2.231 20 0 BEADMN NCc1nccnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001337875245 978543991 /nfs/dbraw/zinc/54/39/91/978543991.db2.gz IWVIHULRHJEZCP-IJLUTSLNSA-N 0 1 246.358 2.316 20 0 BEADMN Cc1ccc(CC[C@@H](C)Nc2ccnc(N)n2)o1 ZINC001337875681 978545025 /nfs/dbraw/zinc/54/50/25/978545025.db2.gz RDJFTEGEPWFFLK-SECBINFHSA-N 0 1 246.314 2.393 20 0 BEADMN Cc1cnsc1CN1CCCO[C@H](C)C1 ZINC001233318242 978549653 /nfs/dbraw/zinc/54/96/53/978549653.db2.gz WNOFYLBBPAPXTL-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1cnsc1CN1CCC[C@@H]2C[C@@H]21 ZINC001233321944 978561959 /nfs/dbraw/zinc/56/19/59/978561959.db2.gz LHLNLIABJDIORW-ZJUUUORDSA-N 0 1 208.330 2.436 20 0 BEADMN Cn1cc(Cl)c(CNC23CCC(CC2)C3)n1 ZINC001178472317 978572541 /nfs/dbraw/zinc/57/25/41/978572541.db2.gz AVTLLFCZWJZOIF-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN Nc1cccc(CN2CC3(C2)CCCC3)n1 ZINC001233369628 978584305 /nfs/dbraw/zinc/58/43/05/978584305.db2.gz VZXIHNGNBVXMSW-UHFFFAOYSA-N 0 1 217.316 2.040 20 0 BEADMN CC[C@@H](Nc1nccnc1CN)C1CCCC1 ZINC001338009774 978587924 /nfs/dbraw/zinc/58/79/24/978587924.db2.gz KARHKEMOSGXUES-LLVKDONJSA-N 0 1 234.347 2.316 20 0 BEADMN CCN(Cc1cncc(Cl)n1)C1CC1 ZINC001233446284 978602594 /nfs/dbraw/zinc/60/25/94/978602594.db2.gz OWHSHPRDVJMTJJ-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CCc1ncc(CNC(=O)C2CC3(CCC3)C2)[nH]1 ZINC001178670323 978605222 /nfs/dbraw/zinc/60/52/22/978605222.db2.gz VBTPNPDHHNPBTH-UHFFFAOYSA-N 0 1 247.342 2.169 20 0 BEADMN C[N@@H+](Cc1cncc(Cl)n1)C(C)(C)C ZINC001233448721 978609113 /nfs/dbraw/zinc/60/91/13/978609113.db2.gz BCMSGUGVJFXSDH-UHFFFAOYSA-N 0 1 213.712 2.360 20 0 BEADMN Cc1occc1CNCc1n[nH]c(C(C)C)n1 ZINC001178794634 978629513 /nfs/dbraw/zinc/62/95/13/978629513.db2.gz AQBHJXQCENJDJS-UHFFFAOYSA-N 0 1 234.303 2.119 20 0 BEADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)C(F)(F)F ZINC001233587547 978633730 /nfs/dbraw/zinc/63/37/30/978633730.db2.gz SQDUKRLNDIKICD-VKHMYHEASA-N 0 1 242.584 2.165 20 0 BEADMN CCC(CC)Oc1n[nH]c(=O)cc1Cl ZINC001233587716 978634344 /nfs/dbraw/zinc/63/43/44/978634344.db2.gz XZJAYYMOGQUUPF-UHFFFAOYSA-N 0 1 216.668 2.403 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2C=CCCC2)n[nH]1 ZINC001233586942 978634735 /nfs/dbraw/zinc/63/47/35/978634735.db2.gz KHIBMXJNASNVGC-SSDOTTSWSA-N 0 1 226.663 2.323 20 0 BEADMN C[C@H](Oc1n[nH]c(=O)cc1Cl)C1CC1 ZINC001233589914 978638683 /nfs/dbraw/zinc/63/86/83/978638683.db2.gz ZQTLRIWFMBFCQN-YFKPBYRVSA-N 0 1 214.652 2.013 20 0 BEADMN CC=C(CC)C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001178922484 978647182 /nfs/dbraw/zinc/64/71/82/978647182.db2.gz NBHPIZQVMYZARS-KMKOMSMNSA-N 0 1 247.342 2.261 20 0 BEADMN Cc1cc(CN2CC3(CC(O)C3)C2)sc1C ZINC001233645938 978657960 /nfs/dbraw/zinc/65/79/60/978657960.db2.gz LMQIEFFEXLUIIW-UHFFFAOYSA-N 0 1 237.368 2.322 20 0 BEADMN CCC(=O)Cc1cc2cn[nH]c2cc1C ZINC001249921490 978671105 /nfs/dbraw/zinc/67/11/05/978671105.db2.gz RVVCEZGTDYNNAS-UHFFFAOYSA-N 0 1 202.257 2.393 20 0 BEADMN Cc1cc(C[N@H+](C)CCC(C)C)[nH]c1C(=O)[O-] ZINC001600189629 978673143 /nfs/dbraw/zinc/67/31/43/978673143.db2.gz CXXIQLABHVMFOE-UHFFFAOYSA-N 0 1 238.331 2.499 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600193835 978674736 /nfs/dbraw/zinc/67/47/36/978674736.db2.gz TYROJMVKPXBLPJ-SCZZXKLOSA-N 0 1 236.315 2.252 20 0 BEADMN Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC001600233708 978679524 /nfs/dbraw/zinc/67/95/24/978679524.db2.gz RDTPLNDETLQIMA-LBPRGKRZSA-N 0 1 237.274 2.356 20 0 BEADMN Cc1ccc(C[N@H+](C)C(C)(C)CC(=O)[O-])cn1 ZINC001600410235 978692571 /nfs/dbraw/zinc/69/25/71/978692571.db2.gz XUQFRCWNDXSBEC-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001600569748 978701107 /nfs/dbraw/zinc/70/11/07/978701107.db2.gz VPJYTDMYVXXRBD-NTZNESFSSA-N 0 1 231.295 2.072 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2cccc(O)c2F)C1 ZINC001233868928 978716450 /nfs/dbraw/zinc/71/64/50/978716450.db2.gz YFWZQEOHHCJVLZ-SECBINFHSA-N 0 1 225.263 2.004 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2cccc(O)c2F)C1 ZINC001233868949 978718436 /nfs/dbraw/zinc/71/84/36/978718436.db2.gz YLGANPDSSBYDBO-VIFPVBQESA-N 0 1 225.263 2.004 20 0 BEADMN CN1CCC[C@H](Oc2cccc(O)c2F)C1 ZINC001233868949 978718445 /nfs/dbraw/zinc/71/84/45/978718445.db2.gz YLGANPDSSBYDBO-VIFPVBQESA-N 0 1 225.263 2.004 20 0 BEADMN Oc1cccc(O[C@H]2CN3CCC2CC3)c1F ZINC001233870424 978719298 /nfs/dbraw/zinc/71/92/98/978719298.db2.gz CYENHXOBKFRQRQ-LBPRGKRZSA-N 0 1 237.274 2.004 20 0 BEADMN CCOCCc1cc2cn[nH]c2cc1C ZINC001249942464 978743071 /nfs/dbraw/zinc/74/30/71/978743071.db2.gz JCMIHGNYBIJBCI-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN CCCn1cncc1CNC/C=C\Cl ZINC001179747926 978750070 /nfs/dbraw/zinc/75/00/70/978750070.db2.gz RLUXNPHTJHEDIU-ARJAWSKDSA-N 0 1 213.712 2.135 20 0 BEADMN COc1ccc(N=O)c(O[C@H]2CC[N@@H+](C)C2)c1 ZINC001234021496 978755730 /nfs/dbraw/zinc/75/57/30/978755730.db2.gz VDFDVAJYFWDJRP-JTQLQIEISA-N 0 1 236.271 2.176 20 0 BEADMN CCOC(OCC)[C@H](C)NCc1ccoc1 ZINC001179838023 978760249 /nfs/dbraw/zinc/76/02/49/978760249.db2.gz IFHQLEBLNZWXQT-JTQLQIEISA-N 0 1 227.304 2.157 20 0 BEADMN CO[C@@H]1CCC[C@@H]1C(=O)NOC1CCCCC1 ZINC001338961738 978762004 /nfs/dbraw/zinc/76/20/04/978762004.db2.gz XERQOCKINKTTEG-NWDGAFQWSA-N 0 1 241.331 2.182 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cnoc2C(C)C)[nH]1 ZINC001339139539 978802457 /nfs/dbraw/zinc/80/24/57/978802457.db2.gz FALHWUJSKQNZKY-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CCOC(=O)CCc1cc2cn[nH]c2cc1C ZINC001249962522 978857291 /nfs/dbraw/zinc/85/72/91/978857291.db2.gz VISMUSKFZRNCDK-UHFFFAOYSA-N 0 1 232.283 2.367 20 0 BEADMN C[C@@H](O)CCCC(=O)Oc1cc2ccc[nH]c-2n1 ZINC001234630801 978878064 /nfs/dbraw/zinc/87/80/64/978878064.db2.gz VNSUEFLJSFCBDC-SECBINFHSA-N 0 1 248.282 2.019 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234690293 978897599 /nfs/dbraw/zinc/89/75/99/978897599.db2.gz NMSHZRAMEYJLTQ-NKWVEPMBSA-N 0 1 238.266 2.305 20 0 BEADMN CCc1cccc(CN(CC)CCOC)n1 ZINC001235251308 979007233 /nfs/dbraw/zinc/00/72/33/979007233.db2.gz QIIHGZDCYCCTPU-UHFFFAOYSA-N 0 1 222.332 2.112 20 0 BEADMN CCc1cccc(CN2CC[C@@H]3CCO[C@H]3C2)n1 ZINC001235256018 979010908 /nfs/dbraw/zinc/01/09/08/979010908.db2.gz WUVNNMLZYDPIIT-DOMZBBRYSA-N 0 1 246.354 2.255 20 0 BEADMN CCN(Cc1cc(OC)ncc1F)C(C)C ZINC001235321958 979022682 /nfs/dbraw/zinc/02/26/82/979022682.db2.gz XFGCXNBSDUTYJA-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN Cc1ncn(C)c1CN1CCCC[C@@](C)(F)C1 ZINC001235538889 979081706 /nfs/dbraw/zinc/08/17/06/979081706.db2.gz QDBMHTROYFIEKO-CYBMUJFWSA-N 0 1 239.338 2.443 20 0 BEADMN Cc1ncn(C)c1C[N@H+]1CCCCC12CC2 ZINC001235550130 979094412 /nfs/dbraw/zinc/09/44/12/979094412.db2.gz SXJSRGKQJLQXMU-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN Cc1ncn(C)c1CN1CCCCC12CC2 ZINC001235550130 979094418 /nfs/dbraw/zinc/09/44/18/979094418.db2.gz SXJSRGKQJLQXMU-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c[nH]1 ZINC001602256605 979097049 /nfs/dbraw/zinc/09/70/49/979097049.db2.gz KKPXQCFSFGDAAD-LBPRGKRZSA-N 0 1 248.326 2.335 20 0 BEADMN O=C([O-])c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH]1 ZINC001602256904 979098625 /nfs/dbraw/zinc/09/86/25/979098625.db2.gz OZFMNKPHIGGXOR-TXEJJXNPSA-N 0 1 248.326 2.335 20 0 BEADMN Cc1cncc(C)c1NC(=O)[C@H](C)C(F)(F)F ZINC001340810810 979117192 /nfs/dbraw/zinc/11/71/92/979117192.db2.gz QKEXUHCQUUYWSE-QMMMGPOBSA-N 0 1 246.232 2.257 20 0 BEADMN Oc1cc(Cl)cc(-c2cc3c(nn2)CNC3)c1 ZINC001235898456 979189180 /nfs/dbraw/zinc/18/91/80/979189180.db2.gz HRJKGLXNPDNZEZ-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CC[C@@]1(C)CN(C/C=C(/C)COC)CCO1 ZINC001341281778 979312174 /nfs/dbraw/zinc/31/21/74/979312174.db2.gz RHJMBININMXXKG-TZQNSNDFSA-N 0 1 227.348 2.080 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001602958731 979343307 /nfs/dbraw/zinc/34/33/07/979343307.db2.gz XIMKUWOZMXVOPK-FUWURINLSA-N 0 1 246.310 2.249 20 0 BEADMN COc1cc(N2CCN(C)CC2)ccc1C1CC1 ZINC001250034926 979447582 /nfs/dbraw/zinc/44/75/82/979447582.db2.gz MRGQZHFMBKNFFB-UHFFFAOYSA-N 0 1 246.354 2.324 20 0 BEADMN C[N@@H+](CCO)Cc1ccccc1OC(C)(C)C ZINC001236255247 979459319 /nfs/dbraw/zinc/45/93/19/979459319.db2.gz BOGQKUBACZOVRQ-UHFFFAOYSA-N 0 1 237.343 2.288 20 0 BEADMN CN(CCO)Cc1ccccc1OC(C)(C)C ZINC001236255247 979459325 /nfs/dbraw/zinc/45/93/25/979459325.db2.gz BOGQKUBACZOVRQ-UHFFFAOYSA-N 0 1 237.343 2.288 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001603503263 979464468 /nfs/dbraw/zinc/46/44/68/979464468.db2.gz BGWHZQITGRTUCH-PWSUYJOCSA-N 0 1 243.372 2.069 20 0 BEADMN Nc1ccc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001236318136 979534193 /nfs/dbraw/zinc/53/41/93/979534193.db2.gz YMBZLDYZRFKFKI-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCSCC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001603895383 979539627 /nfs/dbraw/zinc/53/96/27/979539627.db2.gz SZHASIKZKRREJS-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN COc1cncc(-c2nccc3c2CCN3)c1C ZINC001236370722 979568624 /nfs/dbraw/zinc/56/86/24/979568624.db2.gz IXUAMXIRRFWIKU-UHFFFAOYSA-N 0 1 241.294 2.429 20 0 BEADMN COc1cncc(-c2cccc3[nH]nnc32)c1C ZINC001236386676 979575804 /nfs/dbraw/zinc/57/58/04/979575804.db2.gz WMDORVPUEVEIGC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[N@H+](C/C=C\c1cccc(F)c1)CCC(=O)[O-] ZINC001604126915 979578830 /nfs/dbraw/zinc/57/88/30/979578830.db2.gz NNUBPGGRZOWSRZ-HYXAFXHYSA-N 0 1 237.274 2.245 20 0 BEADMN Cc1ccc(F)c(-c2cccc(C[NH3+])n2)c1[O-] ZINC001236392184 979581338 /nfs/dbraw/zinc/58/13/38/979581338.db2.gz MCQDVFXPKRBWOC-UHFFFAOYSA-N 0 1 232.258 2.360 20 0 BEADMN CC(C)[C@H](C)NC(=O)Cc1ccc2nc[nH]c2c1 ZINC001182840556 979658248 /nfs/dbraw/zinc/65/82/48/979658248.db2.gz JBYLKWGDFXRTIL-JTQLQIEISA-N 0 1 245.326 2.266 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@]3(CCCO3)C2)o1 ZINC001236589180 979668016 /nfs/dbraw/zinc/66/80/16/979668016.db2.gz HVEUFCDTRPATDG-ZDUSSCGKSA-N 0 1 236.315 2.046 20 0 BEADMN Cc1cc(CNCc2ccc(C)c(F)c2)[nH]n1 ZINC000716445357 979676312 /nfs/dbraw/zinc/67/63/12/979676312.db2.gz DZHLYCOXNOWKBA-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001604586837 979680642 /nfs/dbraw/zinc/68/06/42/979680642.db2.gz CDEXDJMCRJOFLM-GFCCVEGCSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001604586837 979680647 /nfs/dbraw/zinc/68/06/47/979680647.db2.gz CDEXDJMCRJOFLM-GFCCVEGCSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC001604715383 979712296 /nfs/dbraw/zinc/71/22/96/979712296.db2.gz BJLCVZPACLBYTJ-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1 ZINC001604753469 979715125 /nfs/dbraw/zinc/71/51/25/979715125.db2.gz CSKYVYLHAYGESH-VIFPVBQESA-N 0 1 248.326 2.432 20 0 BEADMN CCNC(=O)C[N@@H+](C)Cc1cccc2occc21 ZINC001236735817 979720281 /nfs/dbraw/zinc/72/02/81/979720281.db2.gz TYPOWFPGGNNWHT-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CCNC(=O)CN(C)Cc1cccc2occc21 ZINC001236735817 979720291 /nfs/dbraw/zinc/72/02/91/979720291.db2.gz TYPOWFPGGNNWHT-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC001604922665 979768625 /nfs/dbraw/zinc/76/86/25/979768625.db2.gz FGDNCRZIYNYYSG-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@@H+](C)Cc1cc(OC)c(F)cc1F ZINC001236814142 979746158 /nfs/dbraw/zinc/74/61/58/979746158.db2.gz FLSPHYIPCGNABM-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN CCN(C)Cc1cc(OC)c(F)cc1F ZINC001236814142 979746171 /nfs/dbraw/zinc/74/61/71/979746171.db2.gz FLSPHYIPCGNABM-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN Cc1cccnc1CN1CCOC[C@@]1(C)C1CC1 ZINC001342388348 979787591 /nfs/dbraw/zinc/78/75/91/979787591.db2.gz VFLFKQQURFRAKV-HNNXBMFYSA-N 0 1 246.354 2.391 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001605166360 979826215 /nfs/dbraw/zinc/82/62/15/979826215.db2.gz LLJZSYFQZAEPPU-OPRDCNLKSA-N 0 1 247.285 2.074 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001605165777 979827109 /nfs/dbraw/zinc/82/71/09/979827109.db2.gz FTZNSVXLJYGGKO-JTQLQIEISA-N 0 1 236.315 2.335 20 0 BEADMN C[C@H]1CN(CC2OC=CC2=S)C[C@H](C)O1 ZINC001237183659 979833036 /nfs/dbraw/zinc/83/30/36/979833036.db2.gz UAHWCXKHRYDDSB-IUCAKERBSA-N 0 1 227.329 2.178 20 0 BEADMN CC1(CC(=O)OCc2ccc3[nH]nnc3c2)CC1 ZINC001342595321 979835260 /nfs/dbraw/zinc/83/52/60/979835260.db2.gz JEOGUYLCBYYLBA-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CC1(CC(=O)OCc2ccc3nn[nH]c3c2)CC1 ZINC001342595321 979835261 /nfs/dbraw/zinc/83/52/61/979835261.db2.gz JEOGUYLCBYYLBA-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CCCCCC[C@@](O)(C[N@@H+](C)CCC)C(=O)[O-] ZINC001605267003 979847360 /nfs/dbraw/zinc/84/73/60/979847360.db2.gz WLMLEFURRQOMHV-CYBMUJFWSA-N 0 1 245.363 2.114 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(N)c2)CCC1=O ZINC001237216538 979848259 /nfs/dbraw/zinc/84/82/59/979848259.db2.gz DACMPVNHPNQYRO-LLVKDONJSA-N 0 1 232.327 2.070 20 0 BEADMN Cc1cc(CN2CCOc3cc(C)ccc32)n[nH]1 ZINC001342637205 979849025 /nfs/dbraw/zinc/84/90/25/979849025.db2.gz OZYVLWHDDMXQSG-UHFFFAOYSA-N 0 1 243.310 2.426 20 0 BEADMN Cc1ccnc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001605359614 979858915 /nfs/dbraw/zinc/85/89/15/979858915.db2.gz IZRMFEYVPKCPJH-NEPJUHHUSA-N 0 1 248.326 2.075 20 0 BEADMN CC[N@@H+](C/C=C\c1cccc(F)c1)CC(=O)[O-] ZINC001605436665 979871945 /nfs/dbraw/zinc/87/19/45/979871945.db2.gz CGMWJNYPIURZQY-XQRVVYSFSA-N 0 1 237.274 2.245 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCC(C)(C)C ZINC001342708244 979874526 /nfs/dbraw/zinc/87/45/26/979874526.db2.gz NCHRDZLQUPRCHN-UHFFFAOYSA-N 0 1 210.277 2.311 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])C1CC(C)(C)C1 ZINC001605445415 979874781 /nfs/dbraw/zinc/87/47/81/979874781.db2.gz SZZSPNXOUDHINF-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCCC[C@H](C)N[C@@H](CO)c1ncc[nH]1 ZINC001183991528 979926601 /nfs/dbraw/zinc/92/66/01/979926601.db2.gz KGECBZZZWKIRQJ-QWRGUYRKSA-N 0 1 225.336 2.002 20 0 BEADMN CCCCC1CCN(Cc2nnc[nH]2)CC1 ZINC001237598248 979954197 /nfs/dbraw/zinc/95/41/97/979954197.db2.gz BOWYRCKKWTVKKG-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC001606160094 979963351 /nfs/dbraw/zinc/96/33/51/979963351.db2.gz MZKQBBZDYFIUIE-NSHDSACASA-N 0 1 247.285 2.363 20 0 BEADMN Fc1cccc([C@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237607543 979968026 /nfs/dbraw/zinc/96/80/26/979968026.db2.gz BJLWGSYIXAWKAN-GFCCVEGCSA-N 0 1 246.289 2.281 20 0 BEADMN CCN(Cc1nnc[nH]1)Cc1ccc(C)c(C)c1 ZINC001237610532 979974486 /nfs/dbraw/zinc/97/44/86/979974486.db2.gz JHDXCVQBHIUONA-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1nc(C)co1 ZINC001237645136 979993793 /nfs/dbraw/zinc/99/37/93/979993793.db2.gz JLDOHBSVNKOGJX-NSHDSACASA-N 0 1 238.331 2.372 20 0 BEADMN CNc1ccc(C)cc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC001606311872 979995983 /nfs/dbraw/zinc/99/59/83/979995983.db2.gz UNKOJVLYHAGACO-ZDUSSCGKSA-N 0 1 248.326 2.086 20 0 BEADMN CCc1[nH]ncc1CN1CC(F)(F)C[C@H]1CF ZINC001237649120 980007487 /nfs/dbraw/zinc/00/74/87/980007487.db2.gz IDDZTEZIGMQKHA-VIFPVBQESA-N 0 1 247.264 2.151 20 0 BEADMN CCc1n[nH]cc1CN1CCC(C(F)F)CC1 ZINC001237653074 980014855 /nfs/dbraw/zinc/01/48/55/980014855.db2.gz BDZQFMJWRBEZRI-UHFFFAOYSA-N 0 1 243.301 2.449 20 0 BEADMN COc1ccc(C)c(CN2CC[C@]23CCOC3)c1 ZINC001237716393 980037855 /nfs/dbraw/zinc/03/78/55/980037855.db2.gz VDSBDBQOSZDTSY-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC001237806680 980054818 /nfs/dbraw/zinc/05/48/18/980054818.db2.gz UZJQQDGLJXIIRE-LBPRGKRZSA-N 0 1 249.358 2.174 20 0 BEADMN COC1CCN(Cc2ccc(F)c(C)n2)CC1 ZINC001237812219 980058497 /nfs/dbraw/zinc/05/84/97/980058497.db2.gz BPDBIMJOGQAJSU-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN c1ccc(-c2cccc(CN3CCC3)n2)nc1 ZINC001237828151 980072708 /nfs/dbraw/zinc/07/27/08/980072708.db2.gz BVUCXRLEBRFQJH-UHFFFAOYSA-N 0 1 225.295 2.349 20 0 BEADMN OCc1cc(-c2cc3[nH]nnc3cc2F)cs1 ZINC001205297473 980088597 /nfs/dbraw/zinc/08/85/97/980088597.db2.gz GAIMSPLVGJVDFB-UHFFFAOYSA-N 0 1 249.270 2.318 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)Nc2cccnc2CN)C1 ZINC001184514821 980102976 /nfs/dbraw/zinc/10/29/76/980102976.db2.gz FAZANUYBSNUVLO-GHMZBOCLSA-N 0 1 247.342 2.305 20 0 BEADMN COc1ccoc1CN1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001237871513 980106281 /nfs/dbraw/zinc/10/62/81/980106281.db2.gz HHEHYJKCLBFGIH-GHMZBOCLSA-N 0 1 249.310 2.089 20 0 BEADMN COc1ccoc1CN1CCC2(CCO2)CC1 ZINC001237875158 980108832 /nfs/dbraw/zinc/10/88/32/980108832.db2.gz SJTTWGLKYLLBMF-UHFFFAOYSA-N 0 1 237.299 2.043 20 0 BEADMN CC(C)[C@@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343441698 980109374 /nfs/dbraw/zinc/10/93/74/980109374.db2.gz GYNNUMDBCHHXQO-SECBINFHSA-N 0 1 247.298 2.293 20 0 BEADMN CC(C)[C@@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343441698 980109377 /nfs/dbraw/zinc/10/93/77/980109377.db2.gz GYNNUMDBCHHXQO-SECBINFHSA-N 0 1 247.298 2.293 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@]1(C)C(=O)[O-] ZINC001607476794 980110780 /nfs/dbraw/zinc/11/07/80/980110780.db2.gz WCMANRQRFHDGAD-HNRZYHPDSA-N 0 1 237.343 2.075 20 0 BEADMN Cc1cc(C[N@@H+](C)Cc2ccoc2)[nH]c1C(=O)[O-] ZINC001607636454 980119454 /nfs/dbraw/zinc/11/94/54/980119454.db2.gz VCRHYJJQSFJIAV-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1cc(C[N@H+](C)Cc2ccoc2)[nH]c1C(=O)[O-] ZINC001607636454 980119458 /nfs/dbraw/zinc/11/94/58/980119458.db2.gz VCRHYJJQSFJIAV-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)NCc2cc(N)ccn2)C1 ZINC001331441177 980119531 /nfs/dbraw/zinc/11/95/31/980119531.db2.gz DNEUUEVMRQKJNL-MNOVXSKESA-N 0 1 247.342 2.106 20 0 BEADMN Oc1ccc(F)c(CCN2CCCC2)c1F ZINC001250163548 980123632 /nfs/dbraw/zinc/12/36/32/980123632.db2.gz ABXALXVFOJJMOG-UHFFFAOYSA-N 0 1 227.254 2.309 20 0 BEADMN Clc1ccc2c(c1)[nH]nc2CN1CCCO1 ZINC001237994779 980125208 /nfs/dbraw/zinc/12/52/08/980125208.db2.gz ZSEKZJGYWXRIRO-UHFFFAOYSA-N 0 1 237.690 2.354 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C)c1 ZINC001607780659 980127149 /nfs/dbraw/zinc/12/71/49/980127149.db2.gz ASZXPWIHFQPJCQ-WDNDVIMCSA-N 0 1 245.322 2.066 20 0 BEADMN COC1CN(Cc2cc(Cl)c(O)cc2F)C1 ZINC001238142482 980170640 /nfs/dbraw/zinc/17/06/40/980170640.db2.gz DOGVXSLXZGQPTN-UHFFFAOYSA-N 0 1 245.681 2.015 20 0 BEADMN Nc1ccnc(F)c1CN1CCC12CCCC2 ZINC001238148983 980174135 /nfs/dbraw/zinc/17/41/35/980174135.db2.gz DXENIGVMWQMVKM-UHFFFAOYSA-N 0 1 235.306 2.321 20 0 BEADMN Nc1ccnc(F)c1CN1CCC2(CC2)CC1 ZINC001238149861 980178641 /nfs/dbraw/zinc/17/86/41/980178641.db2.gz NDXUPBISIHZGLQ-UHFFFAOYSA-N 0 1 235.306 2.179 20 0 BEADMN CCCCC1CCN(Cc2cnnn2C)CC1 ZINC001238159978 980189294 /nfs/dbraw/zinc/18/92/94/980189294.db2.gz WDGVPKXANRZRGE-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN Cc1ncncc1CN1CC[C@]2(CC2(F)F)C1 ZINC001238163123 980193609 /nfs/dbraw/zinc/19/36/09/980193609.db2.gz DOZQKIZRBYFHNT-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1ncncc1CN1CCCC(F)(F)CC1 ZINC001238166280 980198206 /nfs/dbraw/zinc/19/82/06/980198206.db2.gz YSDPXJCUTQZKES-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN CC[C@@H](C)C(=O)NCCCCc1ccnc(N)c1 ZINC001608285580 980203580 /nfs/dbraw/zinc/20/35/80/980203580.db2.gz ZOCFJTWPFRHGOU-LLVKDONJSA-N 0 1 249.358 2.149 20 0 BEADMN COCCN(C)Cc1cncc(C2CC2)c1 ZINC001238185275 980212730 /nfs/dbraw/zinc/21/27/30/980212730.db2.gz CQSXNHYXDLZLEZ-UHFFFAOYSA-N 0 1 220.316 2.037 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2cncc(C3CC3)c2)C1 ZINC001238192910 980218124 /nfs/dbraw/zinc/21/81/24/980218124.db2.gz FKEYHZVWNIEXJL-CQSZACIVSA-N 0 1 244.338 2.370 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ncc(C)cc2C)C1 ZINC001238435966 980261376 /nfs/dbraw/zinc/26/13/76/980261376.db2.gz AJCXEBZSELIBLK-AWEZNQCLSA-N 0 1 246.354 2.499 20 0 BEADMN O[C@@H]1CCN(Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238496951 980275291 /nfs/dbraw/zinc/27/52/91/980275291.db2.gz AKGQURCXAOJGCJ-GFCCVEGCSA-N 0 1 235.302 2.270 20 0 BEADMN CCOc1ccc(C)c(CN2CC3(COC3)C2)c1 ZINC001238703671 980308627 /nfs/dbraw/zinc/30/86/27/980308627.db2.gz FGWKSKUHMCWXTQ-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN COCC1CN(Cc2cc(C)c(C)cc2OC)C1 ZINC001238760991 980317913 /nfs/dbraw/zinc/31/79/13/980317913.db2.gz ZXUFDRMWKTZILQ-UHFFFAOYSA-N 0 1 249.354 2.390 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CCC2CC2)n[nH]1 ZINC001344221644 980358978 /nfs/dbraw/zinc/35/89/78/980358978.db2.gz IYDWOOQNRMYGNM-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN COc1cccc(-c2ncnc3c2CNC3)c1C ZINC001238979574 980404838 /nfs/dbraw/zinc/40/48/38/980404838.db2.gz IGMZFBAYVPSWTO-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN COc1cccc(-c2cc3c(nn2)CNC3)c1C ZINC001238983113 980406873 /nfs/dbraw/zinc/40/68/73/980406873.db2.gz SVIBQMUUGUZDJX-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN O=C(NCC1CC1)Nc1c(O)cc(F)cc1F ZINC001186611126 980413003 /nfs/dbraw/zinc/41/30/03/980413003.db2.gz CZVAXYOWFLZEGG-UHFFFAOYSA-N 0 1 242.225 2.202 20 0 BEADMN Cc1ncccc1-n1[nH]c(=O)c2cc(N)ccc21 ZINC001205369109 980432521 /nfs/dbraw/zinc/43/25/21/980432521.db2.gz ZTZCDHNKTVVWKH-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN CN(C)/C=C/c1ccncc1/C=C/C(C)(C)O ZINC001239160069 980473578 /nfs/dbraw/zinc/47/35/78/980473578.db2.gz APPBIRMKZISLOL-FQOLVZPASA-N 0 1 232.327 2.398 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCC1(C)CC1 ZINC001344872282 980492162 /nfs/dbraw/zinc/49/21/62/980492162.db2.gz UZZCOCHMUFTVOG-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN Cc1cc(CN)oc1C(=O)NCCC1CC=CC1 ZINC001344889981 980496435 /nfs/dbraw/zinc/49/64/35/980496435.db2.gz JTUYHHLXEOVKGW-UHFFFAOYSA-N 0 1 248.326 2.133 20 0 BEADMN CCCCCCOC(=O)N1CCNC2(CC2)C1 ZINC001239334140 980541578 /nfs/dbraw/zinc/54/15/78/980541578.db2.gz CQVRXVYCYOBQFB-UHFFFAOYSA-N 0 1 240.347 2.141 20 0 BEADMN Cc1cc(CNc2noc3c2CCCC3)n[nH]1 ZINC001345097703 980548604 /nfs/dbraw/zinc/54/86/04/980548604.db2.gz LZHCWKUQYGACFK-UHFFFAOYSA-N 0 1 232.287 2.197 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1[nH]ncc1Cl ZINC001187830814 980563797 /nfs/dbraw/zinc/56/37/97/980563797.db2.gz SQGAXKUZBIAQQR-HTQZYQBOSA-N 0 1 241.722 2.466 20 0 BEADMN CC(C)N(C(=O)c1[nH]ncc1Cl)C(C)C ZINC001187830207 980563860 /nfs/dbraw/zinc/56/38/60/980563860.db2.gz HJFBHQRPGGQNSD-UHFFFAOYSA-N 0 1 229.711 2.322 20 0 BEADMN CNc1ccc(-c2ccc3[nH]nnc3c2)c(F)n1 ZINC001239420536 980571204 /nfs/dbraw/zinc/57/12/04/980571204.db2.gz DUDRHUOFZUVVAW-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CNc1ccc(-c2ccc3nn[nH]c3c2)c(F)n1 ZINC001239420536 980571209 /nfs/dbraw/zinc/57/12/09/980571209.db2.gz DUDRHUOFZUVVAW-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CCN(C)C(=O)c1cc(-c2ccccc2C)[nH]n1 ZINC001187963361 980571450 /nfs/dbraw/zinc/57/14/50/980571450.db2.gz IWHYETAQEXLEBC-UHFFFAOYSA-N 0 1 243.310 2.477 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)c(C)n1 ZINC001239439860 980575339 /nfs/dbraw/zinc/57/53/39/980575339.db2.gz LMHPGDQIUYGFDL-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1nnc[nH]1 ZINC001345419958 980608749 /nfs/dbraw/zinc/60/87/49/980608749.db2.gz FXNFWJQQODJGCI-XWLWVQCSSA-N 0 1 249.314 2.235 20 0 BEADMN c1nnc(CSc2nc3ccccc3o2)[nH]1 ZINC001188184900 980614235 /nfs/dbraw/zinc/61/42/35/980614235.db2.gz OQSDGZFYEWDVEG-UHFFFAOYSA-N 0 1 232.268 2.238 20 0 BEADMN Cc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001239487870 980641625 /nfs/dbraw/zinc/64/16/25/980641625.db2.gz UUWGLBGKFSPZJP-UHFFFAOYSA-N 0 1 211.268 2.055 20 0 BEADMN CN(C)/C=C/c1ccncc1C1=CCOC1 ZINC001239493644 980652321 /nfs/dbraw/zinc/65/23/21/980652321.db2.gz BQFYVZLKVVUUJM-QPJJXVBHSA-N 0 1 216.284 2.028 20 0 BEADMN COc1ncc(-c2cc(N(C)C)ccn2)cc1F ZINC001239499271 980659672 /nfs/dbraw/zinc/65/96/72/980659672.db2.gz DWTNTCONASIBJZ-UHFFFAOYSA-N 0 1 247.273 2.357 20 0 BEADMN Cn1cc(-c2cnc(CN)nc2)c2ccccc21 ZINC001239535260 980710188 /nfs/dbraw/zinc/71/01/88/980710188.db2.gz KSCDJQFYURKJSJ-UHFFFAOYSA-N 0 1 238.294 2.094 20 0 BEADMN COCCCc1cc2cn[nH]c2cc1C ZINC001250303095 980715870 /nfs/dbraw/zinc/71/58/70/980715870.db2.gz HJDROEOJXDXMFA-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN CCOc1ccccc1-c1ncnc2c1CNC2 ZINC001239557931 980741135 /nfs/dbraw/zinc/74/11/35/980741135.db2.gz RVVLFMZDYRDCLL-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN Oc1ccc(Nc2ccc3cncn3c2)c(O)c1 ZINC001250328142 980785511 /nfs/dbraw/zinc/78/55/11/980785511.db2.gz LPAQAHMNEWWHLW-UHFFFAOYSA-N 0 1 241.250 2.489 20 0 BEADMN CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001595363728 980785620 /nfs/dbraw/zinc/78/56/20/980785620.db2.gz JYGKSBUKZWJVEU-RQJABVFESA-N 0 1 245.322 2.400 20 0 BEADMN CS[C@@H]1CC[C@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC001346231617 980794162 /nfs/dbraw/zinc/79/41/62/980794162.db2.gz DRDDFERCGPKSBA-VHSXEESVSA-N 0 1 243.372 2.067 20 0 BEADMN CN(C)Cc1ccc(-c2ccncc2)nc1 ZINC001239609317 980801604 /nfs/dbraw/zinc/80/16/04/980801604.db2.gz JNMXBFJIEBYJBB-UHFFFAOYSA-N 0 1 213.284 2.205 20 0 BEADMN CSC1CCN(Cc2cncc(C)n2)CC1 ZINC001203170563 980872656 /nfs/dbraw/zinc/87/26/56/980872656.db2.gz LJBWJOLNNFFTPA-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN COc1ccc(-c2ccc3cncn3c2)cn1 ZINC001239726971 980880348 /nfs/dbraw/zinc/88/03/48/980880348.db2.gz OIAGDXRGTZEAHY-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CCC1(CC)C[N@H+]([C@H](C)C(=O)[O-])CCS1 ZINC001595375268 980893745 /nfs/dbraw/zinc/89/37/45/980893745.db2.gz BUGFQLQQWDIUPY-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN COC(=O)c1nc2ccc(C3=CCCC3)nc2[nH]1 ZINC001239789267 980927448 /nfs/dbraw/zinc/92/74/48/980927448.db2.gz POIOQTTZCCUXAK-UHFFFAOYSA-N 0 1 243.266 2.312 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595408735 981001543 /nfs/dbraw/zinc/00/15/43/981001543.db2.gz MYJQFBFEIAMDGP-ONGXEEELSA-N 0 1 236.315 2.333 20 0 BEADMN c1nnc(CNc2ccccc2OCC2CC2)[nH]1 ZINC001347177528 981002215 /nfs/dbraw/zinc/00/22/15/981002215.db2.gz GZXGKVJJTGHURM-UHFFFAOYSA-N 0 1 244.298 2.206 20 0 BEADMN CN(C)c1ccc(CSCc2nnc[nH]2)cc1 ZINC001347256584 981022882 /nfs/dbraw/zinc/02/28/82/981022882.db2.gz HBGSQVKDMNXMDN-UHFFFAOYSA-N 0 1 248.355 2.304 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)NC1CC1 ZINC001191477665 981039987 /nfs/dbraw/zinc/03/99/87/981039987.db2.gz DQDKTOAMZMKANI-UHFFFAOYSA-N 0 1 226.663 2.330 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cnoc1C(C)C ZINC001347305306 981041120 /nfs/dbraw/zinc/04/11/20/981041120.db2.gz ALOOAUFKXGUDDN-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2=CCCCC2)n1 ZINC001347341350 981053847 /nfs/dbraw/zinc/05/38/47/981053847.db2.gz LJRNIQBZUHNJCJ-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CC(C)c1nc(NC(=O)C2=CCCCC2)n[nH]1 ZINC001347341350 981053852 /nfs/dbraw/zinc/05/38/52/981053852.db2.gz LJRNIQBZUHNJCJ-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN Cc1ccc(F)c(-c2cnc(CN)nc2)c1 ZINC001239964130 981066397 /nfs/dbraw/zinc/06/63/97/981066397.db2.gz IOSHOBPTRLHPDC-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN Cc1ccncc1-c1cncc2nc[nH]c21 ZINC001239974973 981079620 /nfs/dbraw/zinc/07/96/20/981079620.db2.gz XKJRLVGVXCWUDW-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN C[S@](=O)c1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001347471773 981086712 /nfs/dbraw/zinc/08/67/12/981086712.db2.gz GVOMFVYUEIDHJQ-XNJGSVPQSA-N 0 1 249.379 2.266 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@@H](C)C1CC1 ZINC001347493176 981100347 /nfs/dbraw/zinc/10/03/47/981100347.db2.gz YTKXTUMKJZJWAK-QMMMGPOBSA-N 0 1 244.298 2.251 20 0 BEADMN NCc1ncc(-c2cc(F)cc3[nH]ccc32)cn1 ZINC001240037939 981108354 /nfs/dbraw/zinc/10/83/54/981108354.db2.gz IPVGGLXTWYZVEF-UHFFFAOYSA-N 0 1 242.257 2.223 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)NCc1n[nH]c(C)c1C ZINC001347614436 981129073 /nfs/dbraw/zinc/12/90/73/981129073.db2.gz SGZARDAICLSTMC-IUCAKERBSA-N 0 1 237.347 2.325 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595458433 981131693 /nfs/dbraw/zinc/13/16/93/981131693.db2.gz HNCHWUWYCHHMHN-NSHDSACASA-N 0 1 236.315 2.396 20 0 BEADMN OC[C@H](NCc1ccnc(F)c1)c1ccccc1 ZINC001192461271 981161970 /nfs/dbraw/zinc/16/19/70/981161970.db2.gz MCEFUGYRQDZCHA-ZDUSSCGKSA-N 0 1 246.285 2.044 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CN1CCC[C@H]1c1ncc[nH]1 ZINC001192682267 981182502 /nfs/dbraw/zinc/18/25/02/981182502.db2.gz XKJRVQUQHZFTDP-FRRDWIJNSA-N 0 1 249.358 2.098 20 0 BEADMN Fc1cncc(-c2cccc3[nH]nnc32)c1 ZINC001240237266 981202949 /nfs/dbraw/zinc/20/29/49/981202949.db2.gz YSOZMNICJKERCQ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCc1cccc(C(=O)NCc2cc(C)[nH]n2)c1 ZINC001192973412 981220408 /nfs/dbraw/zinc/22/04/08/981220408.db2.gz FMANLDHBILLRLG-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN CN1CCc2c(F)cc(-c3cn[nH]c3)cc2C1 ZINC001240244442 981223352 /nfs/dbraw/zinc/22/33/52/981223352.db2.gz KNQZJHJWPUNRDT-UHFFFAOYSA-N 0 1 231.274 2.204 20 0 BEADMN COc1cc(-c2nccc3[nH]cnc32)ccn1 ZINC001240254258 981226037 /nfs/dbraw/zinc/22/60/37/981226037.db2.gz NOTLXQAPKJSDGM-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cc(-c2[nH]ccc3ncnc2-3)ccn1 ZINC001240254258 981226039 /nfs/dbraw/zinc/22/60/39/981226039.db2.gz NOTLXQAPKJSDGM-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cc(-c2ccc3cncn3c2)ccn1 ZINC001240255643 981228559 /nfs/dbraw/zinc/22/85/59/981228559.db2.gz DBYUPPGOBHZURQ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cn1cc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)cn1 ZINC001240298889 981253443 /nfs/dbraw/zinc/25/34/43/981253443.db2.gz DKZGOAZKAVNBMV-UHFFFAOYSA-N 0 1 245.301 2.214 20 0 BEADMN Cn1cc(-c2cc(F)c3c(c2)CN(C)CC3)cn1 ZINC001240298889 981253450 /nfs/dbraw/zinc/25/34/50/981253450.db2.gz DKZGOAZKAVNBMV-UHFFFAOYSA-N 0 1 245.301 2.214 20 0 BEADMN Cc1nn(C)cc1-c1cccc2cncn21 ZINC001240302368 981266347 /nfs/dbraw/zinc/26/63/47/981266347.db2.gz ZCRLVXCQNJLDAX-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)c1nccnc1CN ZINC001348125851 981290617 /nfs/dbraw/zinc/29/06/17/981290617.db2.gz HRFYAJQVSXFFLF-NSHDSACASA-N 0 1 248.374 2.340 20 0 BEADMN C/C(=C\Cl)CSc1nccnc1CN ZINC001348137385 981293469 /nfs/dbraw/zinc/29/34/69/981293469.db2.gz JYHAANBSWQISFX-QPJJXVBHSA-N 0 1 229.736 2.170 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1ccc(=O)n(C)c1 ZINC001240332623 981302193 /nfs/dbraw/zinc/30/21/93/981302193.db2.gz LOUZNKLFDDKYHL-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CCN(Cc1ccnc(F)c1)[C@H]1CCCOC1 ZINC001348179542 981304322 /nfs/dbraw/zinc/30/43/22/981304322.db2.gz CBHQSZZWFRWOTM-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN c1cc2cnc(-c3ccc4ncnn4c3)cc2[nH]1 ZINC001240354430 981312034 /nfs/dbraw/zinc/31/20/34/981312034.db2.gz FYYWMRHBCCKFDR-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1nc2cccc(-c3cncnc3)c2[nH]1 ZINC001240375559 981325787 /nfs/dbraw/zinc/32/57/87/981325787.db2.gz JKHRZIGOPLGEFO-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC(C)OC(=O)NC1=NCC(=O)C=C1Cl ZINC001193459277 981333302 /nfs/dbraw/zinc/33/33/02/981333302.db2.gz WRXSHIFRDPRROW-UHFFFAOYSA-N 0 1 230.651 2.398 20 0 BEADMN c1cc2cc(-c3cc4c(nn3)CNC4)ccc2o1 ZINC001240423872 981372312 /nfs/dbraw/zinc/37/23/12/981372312.db2.gz KUNSJQIUWRZONW-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN Cc1cc(-c2cc3c(nn2)CNC3)c(C)s1 ZINC001240426940 981375556 /nfs/dbraw/zinc/37/55/56/981375556.db2.gz DBRVHMNBCBXZRR-UHFFFAOYSA-N 0 1 231.324 2.425 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](CC)[C@@H]2C)n1 ZINC001193608331 981384173 /nfs/dbraw/zinc/38/41/73/981384173.db2.gz XKGTYOLKPVNFHB-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](CC)[C@@H]2C)n1 ZINC001193608331 981384185 /nfs/dbraw/zinc/38/41/85/981384185.db2.gz XKGTYOLKPVNFHB-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCOc1ncccc1-c1cc(N)c(C)cn1 ZINC001240493176 981414085 /nfs/dbraw/zinc/41/40/85/981414085.db2.gz SUACMALNCWXWEO-UHFFFAOYSA-N 0 1 229.283 2.433 20 0 BEADMN Cc1[nH]ncc1-c1cccc2c1ncn2C ZINC001240520805 981448977 /nfs/dbraw/zinc/44/89/77/981448977.db2.gz CMDRGTNCROELIH-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COCOc1ccc(OC)cc1-c1cn[nH]c1C ZINC001240521337 981451205 /nfs/dbraw/zinc/45/12/05/981451205.db2.gz MPHUYUJNHANZOK-UHFFFAOYSA-N 0 1 248.282 2.376 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001595579798 981510524 /nfs/dbraw/zinc/51/05/24/981510524.db2.gz XDICMGZMEIXFOU-VIFPVBQESA-N 0 1 224.304 2.333 20 0 BEADMN CC(C(=O)NCc1n[nH]c(C)c1C)=C1CCC1 ZINC001349146766 981512996 /nfs/dbraw/zinc/51/29/96/981512996.db2.gz FZKQWALATSCRSR-UHFFFAOYSA-N 0 1 233.315 2.143 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccn1C1CC1 ZINC001349522847 981572318 /nfs/dbraw/zinc/57/23/18/981572318.db2.gz NZBMJTZJIZXZDO-LBPRGKRZSA-N 0 1 236.315 2.118 20 0 BEADMN Cc1c(F)cccc1-c1ncc2c(n1)CNC2 ZINC001240727233 981769764 /nfs/dbraw/zinc/76/97/64/981769764.db2.gz GOAVVGLLHUBLPW-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCN1CCN(C(=O)OCC(C)(C)C)C[C@H]1C ZINC001194383142 981785510 /nfs/dbraw/zinc/78/55/10/981785510.db2.gz FCGFWSTYZWLUOS-LLVKDONJSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1c(F)cccc1-c1cnc(CN)nc1 ZINC001240731857 981795693 /nfs/dbraw/zinc/79/56/93/981795693.db2.gz YYCIBIGQRFRWDC-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN CCC1(C(=O)NCc2cc(N)ccn2)CCCC1 ZINC001349909099 981809750 /nfs/dbraw/zinc/80/97/50/981809750.db2.gz SYSDPICSAITYGY-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN CCCC[C@H](CC)C(=O)NCc1cc(N)ccn1 ZINC001349908066 981810222 /nfs/dbraw/zinc/81/02/22/981810222.db2.gz HTSIVHOXXWLMGL-NSHDSACASA-N 0 1 249.358 2.496 20 0 BEADMN CC(C)(C)CCCC(=O)NCc1cc(N)ccn1 ZINC001349907662 981810739 /nfs/dbraw/zinc/81/07/39/981810739.db2.gz FQYXLDQWPZFWJY-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN Nc1cc[nH+]c(-c2ccc([O-])c(F)c2)c1 ZINC001240783388 981824194 /nfs/dbraw/zinc/82/41/94/981824194.db2.gz NSPCTMLLVKJWQJ-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595631557 981840393 /nfs/dbraw/zinc/84/03/93/981840393.db2.gz UQFGGODNXSHRHA-IVZWLZJFSA-N 0 1 249.301 2.463 20 0 BEADMN NCc1ncc(-c2ccc3cc[nH]c3c2)cn1 ZINC001240799284 981846390 /nfs/dbraw/zinc/84/63/90/981846390.db2.gz UXEQAHZYIQTUJK-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN CCCCCC[C@H](C)C(=O)OCc1nnc[nH]1 ZINC001350049835 981855464 /nfs/dbraw/zinc/85/54/64/981855464.db2.gz GDKMFZYUCAIJMU-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN Cc1[nH]nc2cc(-c3cncnc3)ccc21 ZINC001250598201 981863604 /nfs/dbraw/zinc/86/36/04/981863604.db2.gz NPPCJWJJNODMRT-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC(C)Cn1cc(-c2ccc3nn[nH]c3c2)cn1 ZINC001240888620 981939152 /nfs/dbraw/zinc/93/91/52/981939152.db2.gz YXQCEVWSXQUUOK-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN CC(C)Cn1cc(-c2ccc3[nH]nnc3c2)cn1 ZINC001240888620 981939157 /nfs/dbraw/zinc/93/91/57/981939157.db2.gz YXQCEVWSXQUUOK-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN c1nc2cnc(-c3ccc4c(c3)OCO4)cc2[nH]1 ZINC001240897046 981949921 /nfs/dbraw/zinc/94/99/21/981949921.db2.gz OVMPTBGMNAJFRV-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CC[C@H](C)C2)c1C ZINC001350388889 981958895 /nfs/dbraw/zinc/95/88/95/981958895.db2.gz PUHOUCHWCQLTHP-KWQFWETISA-N 0 1 235.331 2.079 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CC[C@H](C)C2)c1C ZINC001350388864 981959844 /nfs/dbraw/zinc/95/98/44/981959844.db2.gz PUHOUCHWCQLTHP-GZMMTYOYSA-N 0 1 235.331 2.079 20 0 BEADMN CC(C)c1ccc([S@](=O)Cc2nc[nH]n2)cc1 ZINC001350427735 981969459 /nfs/dbraw/zinc/96/94/59/981969459.db2.gz AYMJWUWUUHEWFJ-QGZVFWFLSA-N 0 1 249.339 2.236 20 0 BEADMN Cc1ccc(F)cc1-c1cc2c(nn1)CNC2 ZINC001240918386 981973925 /nfs/dbraw/zinc/97/39/25/981973925.db2.gz ULENFLSVDJJMCI-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Oc1cccc(-c2cc3[nH]nnc3cc2F)c1 ZINC001240924871 981992050 /nfs/dbraw/zinc/99/20/50/981992050.db2.gz XDXPZQOUONLRTQ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN O=C(Nc1cc(F)c(O)c(F)c1)OCCF ZINC001194966715 982008245 /nfs/dbraw/zinc/00/82/45/982008245.db2.gz GUFOPQFNTNOWBN-UHFFFAOYSA-N 0 1 235.161 2.188 20 0 BEADMN Cc1cc(CCC(=O)Nc2ccc(F)cc2)n[nH]1 ZINC001587023295 982043259 /nfs/dbraw/zinc/04/32/59/982043259.db2.gz ALNBCGHDWFUCLM-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN Cc1cc(-c2ccn(C)c(=O)c2)cc2nc[nH]c21 ZINC001240984215 982062633 /nfs/dbraw/zinc/06/26/33/982062633.db2.gz YQEDJVKJXATXLH-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1ccc(C(=O)[O-])cc1-c1cc[nH+]c(N)c1 ZINC001241000341 982082365 /nfs/dbraw/zinc/08/23/65/982082365.db2.gz BRNYWUORRFCOOI-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN CCOc1ccnc(-c2ccccc2O)n1 ZINC001241003672 982091797 /nfs/dbraw/zinc/09/17/97/982091797.db2.gz SCJANVKCFHLKRE-UHFFFAOYSA-N 0 1 216.240 2.248 20 0 BEADMN Oc1ccc(-c2cc3[nH]cnc3cn2)cc1 ZINC001241061150 982163762 /nfs/dbraw/zinc/16/37/62/982163762.db2.gz YFRQUEPIFKIPLV-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCCSC ZINC001594874349 982200934 /nfs/dbraw/zinc/20/09/34/982200934.db2.gz BRMFHELNYRDUAI-UWVGGRQHSA-N 0 1 233.377 2.171 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC001594874755 982203923 /nfs/dbraw/zinc/20/39/23/982203923.db2.gz DTGSLGXXVDLJGL-PSASIEDQSA-N 0 1 242.344 2.074 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC001594874755 982203930 /nfs/dbraw/zinc/20/39/30/982203930.db2.gz DTGSLGXXVDLJGL-PSASIEDQSA-N 0 1 242.344 2.074 20 0 BEADMN Cc1nnc(-c2c(F)cc(O)cc2F)nc1C ZINC001241119775 982238842 /nfs/dbraw/zinc/23/88/42/982238842.db2.gz PGCKBMCUQPTMJW-UHFFFAOYSA-N 0 1 237.209 2.139 20 0 BEADMN c1nocc1CN1CCC(c2ccccn2)CC1 ZINC001205697511 982239391 /nfs/dbraw/zinc/23/93/91/982239391.db2.gz XKIVUYFUTZXATF-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN OCc1ccc(F)c(-c2cncc3nc[nH]c32)c1 ZINC001241152823 982287626 /nfs/dbraw/zinc/28/76/26/982287626.db2.gz TZPJAZKBGCZHOW-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(F)c(-c2cncc3[nH]cnc32)c1 ZINC001241152823 982287636 /nfs/dbraw/zinc/28/76/36/982287636.db2.gz TZPJAZKBGCZHOW-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC/C=C/CCN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC001195548164 982320788 /nfs/dbraw/zinc/32/07/88/982320788.db2.gz TZFZJHNPIGGAIP-MABIMBCCSA-N 0 1 238.375 2.282 20 0 BEADMN Cc1c(N)ccnc1-c1ccncc1F ZINC001241223403 982360485 /nfs/dbraw/zinc/36/04/85/982360485.db2.gz CCIQYUWKQJEDJQ-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN CN(C)Cc1ccc(-c2ccncc2F)nc1 ZINC001241223666 982363042 /nfs/dbraw/zinc/36/30/42/982363042.db2.gz HOTAHQIIRFYZGY-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN NCc1ncc(-c2ccc(Cl)c(F)c2)cn1 ZINC001241231349 982383921 /nfs/dbraw/zinc/38/39/21/982383921.db2.gz FRHVFCFBDIVWPD-UHFFFAOYSA-N 0 1 237.665 2.395 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+](CC2CC2)C2CC2)o1 ZINC000080370535 982410211 /nfs/dbraw/zinc/41/02/11/982410211.db2.gz KHVREUHFBZFPGZ-UHFFFAOYSA-N 0 1 235.283 2.352 20 0 BEADMN CSc1cc(C)nc(C2=CCN(C)CC2)n1 ZINC001241308274 982451604 /nfs/dbraw/zinc/45/16/04/982451604.db2.gz JCHJHVVATNHVAZ-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086276 982460219 /nfs/dbraw/zinc/46/02/19/982460219.db2.gz ZELZOPHDVBIPTM-JQWIXIFHSA-N 0 1 243.310 2.216 20 0 BEADMN CCOc1ncccc1C1=CC[N@@H+](C)CC1 ZINC001241321701 982481612 /nfs/dbraw/zinc/48/16/12/982481612.db2.gz ANEJBTANPHTDIB-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CCOc1ncccc1C1=CCN(C)CC1 ZINC001241321701 982481617 /nfs/dbraw/zinc/48/16/17/982481617.db2.gz ANEJBTANPHTDIB-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CN1CC=C(c2cc(F)cc(F)n2)CC1 ZINC001241327114 982488009 /nfs/dbraw/zinc/48/80/09/982488009.db2.gz GNXBHFLVQMPJFS-UHFFFAOYSA-N 0 1 210.227 2.079 20 0 BEADMN COc1cc(C)ncc1C1=CCN(C)CC1 ZINC001241327580 982488888 /nfs/dbraw/zinc/48/88/88/982488888.db2.gz OSUDZOBAAZYQAE-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN(C)c1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001241367916 982529893 /nfs/dbraw/zinc/52/98/93/982529893.db2.gz ABQVDEYGEQJWDA-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CCCc1ncc(CNCC2(OC)CCC2)o1 ZINC001352865303 982613014 /nfs/dbraw/zinc/61/30/14/982613014.db2.gz YZNPOOVRNARRNG-UHFFFAOYSA-N 0 1 238.331 2.286 20 0 BEADMN c1ncc(-c2cccn3cncc23)s1 ZINC001241500535 982660851 /nfs/dbraw/zinc/66/08/51/982660851.db2.gz DVSXGAVRMVDPGJ-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN CCOCCCN(C)Cc1cc(OC)ns1 ZINC001198122533 982662115 /nfs/dbraw/zinc/66/21/15/982662115.db2.gz NBTCLWSEUHMSPJ-UHFFFAOYSA-N 0 1 244.360 2.010 20 0 BEADMN CC[C@@H](O)CNc1nc2cc(C)ccc2[nH]1 ZINC001251756653 982666472 /nfs/dbraw/zinc/66/64/72/982666472.db2.gz FGAXQCMCWKKUHQ-SECBINFHSA-N 0 1 219.288 2.054 20 0 BEADMN OCc1cccc(-c2cccc3[nH]nnc32)c1 ZINC001241510076 982666857 /nfs/dbraw/zinc/66/68/57/982666857.db2.gz DFIVZAPGGKICEH-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN NCc1ccc(C(=O)NCC2(CC3CC3)CC2)o1 ZINC001353101755 982699454 /nfs/dbraw/zinc/69/94/54/982699454.db2.gz OXSBWYJNOIZRHG-UHFFFAOYSA-N 0 1 248.326 2.048 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)n1 ZINC001198407161 982703145 /nfs/dbraw/zinc/70/31/45/982703145.db2.gz RCMLJRQMJPTPJI-ZJUUUORDSA-N 0 1 235.331 2.330 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001594960960 982712938 /nfs/dbraw/zinc/71/29/38/982712938.db2.gz QULDYYJYOMSCFY-SECBINFHSA-N 0 1 224.304 2.191 20 0 BEADMN CCC(CC)(CC)C(=O)NCc1cc(N)ccn1 ZINC001353162663 982737358 /nfs/dbraw/zinc/73/73/58/982737358.db2.gz OVRJUVYXLWDTNA-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CCC[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595837101 982746805 /nfs/dbraw/zinc/74/68/05/982746805.db2.gz URRRQHKSRPFCHQ-ZETCQYMHSA-N 0 1 228.317 2.244 20 0 BEADMN Cc1nc2c[nH]cc(-c3ccc(CO)cc3)c-2n1 ZINC001241559225 982784355 /nfs/dbraw/zinc/78/43/55/982784355.db2.gz OXCFTNNGIHPLHU-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1nc2c(cncc2-c2ccc(CO)cc2)[nH]1 ZINC001241559225 982784365 /nfs/dbraw/zinc/78/43/65/982784365.db2.gz OXCFTNNGIHPLHU-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC001589445530 982797079 /nfs/dbraw/zinc/79/70/79/982797079.db2.gz SHEZTHCSZNSVBQ-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC001589445531 982800225 /nfs/dbraw/zinc/80/02/25/982800225.db2.gz SHEZTHCSZNSVBQ-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC=C(c2cccnc2)C1 ZINC001589445503 982800336 /nfs/dbraw/zinc/80/03/36/982800336.db2.gz QIKUVKZAFWWCRZ-ZDUSSCGKSA-N 0 1 246.310 2.034 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC=C(c2ccccn2)C1 ZINC001589444756 982800755 /nfs/dbraw/zinc/80/07/55/982800755.db2.gz DSRDTXGDJUUOBY-ZDUSSCGKSA-N 0 1 246.310 2.034 20 0 BEADMN CN1CCC=C(c2ncc(C3CC3)cn2)C1 ZINC001241564847 982804344 /nfs/dbraw/zinc/80/43/44/982804344.db2.gz BUOHKDKPSCMGPI-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN Cc1cc(C2=CCCN(C)C2)ncc1F ZINC001241565715 982805542 /nfs/dbraw/zinc/80/55/42/982805542.db2.gz MODWLHQRPGSADY-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2cc(C(F)(F)F)ncn2)C1 ZINC001241565239 982806587 /nfs/dbraw/zinc/80/65/87/982806587.db2.gz GNLCZWDJJGLVIL-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CN1CCC=C(c2ncnc3cc(F)ccc32)C1 ZINC001241565725 982806705 /nfs/dbraw/zinc/80/67/05/982806705.db2.gz MUGQWVZWBPUEQA-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN1CCC=C(c2cc3c(nn2)CCCC3)C1 ZINC001241567479 982812405 /nfs/dbraw/zinc/81/24/05/982812405.db2.gz DUPAZQIUJKSODM-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CCN(CC)c1cncc(C2=CCCN(C)C2)n1 ZINC001241566723 982813385 /nfs/dbraw/zinc/81/33/85/982813385.db2.gz BOWOEVKUCYDFCM-UHFFFAOYSA-N 0 1 246.358 2.042 20 0 BEADMN Cc1nc(C)c(C)c(C2=CCCN(C)C2)n1 ZINC001241568446 982814321 /nfs/dbraw/zinc/81/43/21/982814321.db2.gz RLKRLCOEXGAGPD-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN Cc1nc(F)ccc1C1=CCCN(C)C1 ZINC001241568547 982815078 /nfs/dbraw/zinc/81/50/78/982815078.db2.gz GKTRMWFHGSRVOI-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2cccc3c2OCCO3)C1 ZINC001241570048 982820758 /nfs/dbraw/zinc/82/07/58/982820758.db2.gz DVAYIFGVYUCFIY-UHFFFAOYSA-N 0 1 231.295 2.177 20 0 BEADMN CC/C=C/CC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589627671 982849851 /nfs/dbraw/zinc/84/98/51/982849851.db2.gz ZLJMUWNARXJIJY-RVAOTSRCSA-N 0 1 225.332 2.385 20 0 BEADMN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1CC=C(C)C ZINC001198873281 982871750 /nfs/dbraw/zinc/87/17/50/982871750.db2.gz ZYTZHKZLBDPDHN-XQQFMLRXSA-N 0 1 237.343 2.369 20 0 BEADMN CC[N@@H+](CCCCOC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001589730720 982875098 /nfs/dbraw/zinc/87/50/98/982875098.db2.gz SFSIJDMLKOSGCK-NSHDSACASA-N 0 1 245.363 2.377 20 0 BEADMN Cc1nc(-c2cnc(N)nc2C)cc2[nH]ccc21 ZINC001241644068 982883231 /nfs/dbraw/zinc/88/32/31/982883231.db2.gz KPADIIUCBUZBTN-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN COc1cc(-c2cncc3[nH]cnc32)c(F)cn1 ZINC001241663720 982898316 /nfs/dbraw/zinc/89/83/16/982898316.db2.gz KRHUIISNAWGDAO-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2cncc3nc[nH]c32)c(F)cn1 ZINC001241663720 982898318 /nfs/dbraw/zinc/89/83/18/982898318.db2.gz KRHUIISNAWGDAO-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccn(C)n3)cc12 ZINC001241669026 982902758 /nfs/dbraw/zinc/90/27/58/982902758.db2.gz LHKCEVSPDBTRCN-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COc1ccnc(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241666320 982905263 /nfs/dbraw/zinc/90/52/63/982905263.db2.gz VVOINERZPQMWPU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2ccc3n[nH]c(C)c3c2)cn1 ZINC001241668761 982907506 /nfs/dbraw/zinc/90/75/06/982907506.db2.gz IFXGFJJKCVXZLN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1cncc(-c2ccc3[nH]cnc3c2)n1 ZINC001241680705 982924886 /nfs/dbraw/zinc/92/48/86/982924886.db2.gz MCVRTMLQJAGAMZ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN COc1ncnc(-c2ccc3[nH]cnc3c2)c1C ZINC001241685466 982933740 /nfs/dbraw/zinc/93/37/40/982933740.db2.gz LSBUSGGMXQXPJJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)c1cc(-c2ccc3[nH]cnc3c2)ncn1 ZINC001241681538 982936116 /nfs/dbraw/zinc/93/61/16/982936116.db2.gz WRKPTCDMDMHION-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1ncnc(-c2ccc3[nH]cnc3c2)c1F ZINC001241686253 982937078 /nfs/dbraw/zinc/93/70/78/982937078.db2.gz YGOOVJPFJVAOOB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Nc1cncc(F)c1-c1ccc2[nH]cnc2c1 ZINC001241690726 982945365 /nfs/dbraw/zinc/94/53/65/982945365.db2.gz BCKGTEIMJFURRB-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN COCc1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001241691740 982947190 /nfs/dbraw/zinc/94/71/90/982947190.db2.gz TVOMZLBDAHSSEL-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN c1nc2cc(-c3ncnc4c3COC4)ccc2[nH]1 ZINC001241692187 982953411 /nfs/dbraw/zinc/95/34/11/982953411.db2.gz ZQXMHSNQIZWAQA-UHFFFAOYSA-N 0 1 238.250 2.050 20 0 BEADMN Fc1ncc(-c2ccc3[nH]cnc3c2)c(F)n1 ZINC001241697346 982956014 /nfs/dbraw/zinc/95/60/14/982956014.db2.gz BFAPTUFEBBQBFB-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN COc1ncnc(C)c1-c1ccc2[nH]cnc2c1 ZINC001241698027 982958913 /nfs/dbraw/zinc/95/89/13/982958913.db2.gz SANQJBCYNDLZFV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[C@@H](CNCc1nn(C)cc1Cl)C1CC1 ZINC001199732029 982992894 /nfs/dbraw/zinc/99/28/94/982992894.db2.gz BVPCAVDUIKVURT-QMMMGPOBSA-N 0 1 227.739 2.209 20 0 BEADMN C[C@H](O)CN1CCC[C@@H]1c1cc(F)ccc1F ZINC001251961314 983033585 /nfs/dbraw/zinc/03/35/85/983033585.db2.gz GLFNNMAYAULIDB-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN COc1cccc(-c2cnc(CN)nc2)c1Cl ZINC001241858479 983086647 /nfs/dbraw/zinc/08/66/47/983086647.db2.gz OFIWWWWXPMMBHG-UHFFFAOYSA-N 0 1 249.701 2.264 20 0 BEADMN CC(C)c1[nH]c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC001591912117 983104247 /nfs/dbraw/zinc/10/42/47/983104247.db2.gz DAKSAVAMEPZBFC-AOOOYVTPSA-N 0 1 248.326 2.288 20 0 BEADMN FC(F)c1nccnc1-c1ccc2nn[nH]c2c1 ZINC001241942371 983147222 /nfs/dbraw/zinc/14/72/22/983147222.db2.gz QTUSXIOHDGMXJO-UHFFFAOYSA-N 0 1 247.208 2.353 20 0 BEADMN Fc1ccnc(-c2ccc3nn[nH]c3c2)c1 ZINC001241938252 983151494 /nfs/dbraw/zinc/15/14/94/983151494.db2.gz KKYSHAKHHPSMPJ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)ncc1F ZINC001241940455 983154317 /nfs/dbraw/zinc/15/43/17/983154317.db2.gz KOPYPSKDNJRDGM-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)ncc1F ZINC001241940455 983154325 /nfs/dbraw/zinc/15/43/25/983154325.db2.gz KOPYPSKDNJRDGM-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnccc1-c1ccc2[nH]nnc2c1 ZINC001241940900 983157206 /nfs/dbraw/zinc/15/72/06/983157206.db2.gz SLDMDGQRZLTPKN-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cnccc1-c1ccc2nn[nH]c2c1 ZINC001241940900 983157209 /nfs/dbraw/zinc/15/72/09/983157209.db2.gz SLDMDGQRZLTPKN-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN c1nc2ncc(-c3ccc4[nH]nnc4c3)cc2o1 ZINC001241941413 983158878 /nfs/dbraw/zinc/15/88/78/983158878.db2.gz YLQZXMBGRFYGJC-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1nc2ncc(-c3ccc4nn[nH]c4c3)cc2o1 ZINC001241941413 983158886 /nfs/dbraw/zinc/15/88/86/983158886.db2.gz YLQZXMBGRFYGJC-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN COc1cccc(N)c1-c1ccc2[nH]nnc2c1 ZINC001241941439 983160381 /nfs/dbraw/zinc/16/03/81/983160381.db2.gz KQYOAJBDIVZNAE-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COc1cccc(N)c1-c1ccc2nn[nH]c2c1 ZINC001241941439 983160386 /nfs/dbraw/zinc/16/03/86/983160386.db2.gz KQYOAJBDIVZNAE-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN c1cc(-c2cncnc2C2CC2)cc2[nH]nnc12 ZINC001241941831 983161691 /nfs/dbraw/zinc/16/16/91/983161691.db2.gz NSFLNNDLCBKERO-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN c1cc(-c2cncnc2C2CC2)cc2nn[nH]c12 ZINC001241941831 983161697 /nfs/dbraw/zinc/16/16/97/983161697.db2.gz NSFLNNDLCBKERO-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN c1cn2cccc(-c3ccc4nn[nH]c4c3)c2n1 ZINC001241942810 983162582 /nfs/dbraw/zinc/16/25/82/983162582.db2.gz XILGPZAIWQACQF-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cn2cccc(-c3ccc4[nH]nnc4c3)c2n1 ZINC001241942810 983162589 /nfs/dbraw/zinc/16/25/89/983162589.db2.gz XILGPZAIWQACQF-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC[C@H]1CCC[C@@H](Nc2nccnc2CN)C1 ZINC001354120227 983164139 /nfs/dbraw/zinc/16/41/39/983164139.db2.gz PQZGTXWIJDYYQU-WDEREUQCSA-N 0 1 234.347 2.316 20 0 BEADMN C=Cc1ccccc1-c1cc2c(nn1)CNC2 ZINC001242000691 983192445 /nfs/dbraw/zinc/19/24/45/983192445.db2.gz MBTULWCVFGIZIX-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN C[C@@H](NCc1ccc[nH]c1=O)c1ccns1 ZINC001354256095 983228204 /nfs/dbraw/zinc/22/82/04/983228204.db2.gz MVNKVDQFFITDSU-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN CO[C@@H](C)c1cccc(-c2cnc(CN)nc2)c1 ZINC001242032691 983244501 /nfs/dbraw/zinc/24/45/01/983244501.db2.gz NXPZBZCOFHOIMD-JTQLQIEISA-N 0 1 243.310 2.310 20 0 BEADMN COC(=O)CN(C)C[C@H](C)CCC=C(C)C ZINC001201495778 983262771 /nfs/dbraw/zinc/26/27/71/983262771.db2.gz GSUCMUHCWPGTQF-GFCCVEGCSA-N 0 1 227.348 2.474 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCn2nncc2C1 ZINC001201495687 983263517 /nfs/dbraw/zinc/26/35/17/983263517.db2.gz FDUHDVNHEDNUBF-ZDUSSCGKSA-N 0 1 248.374 2.476 20 0 BEADMN COc1ccncc1-c1cccn2cncc12 ZINC001242060251 983274753 /nfs/dbraw/zinc/27/47/53/983274753.db2.gz FQCIFBWREHZGFD-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN O=c1ccc(-c2cc3nc[nH]c3cc2F)c[nH]1 ZINC001242064995 983287590 /nfs/dbraw/zinc/28/75/90/983287590.db2.gz DJOGAASYOVWQOU-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CNc1ccc(-c2cc(N(C)C)ccn2)cn1 ZINC001242068275 983295961 /nfs/dbraw/zinc/29/59/61/983295961.db2.gz YVLRASZMFBNUEU-UHFFFAOYSA-N 0 1 228.299 2.251 20 0 BEADMN CN(C)Cc1cc(-c2ccnnc2)ccc1F ZINC001242068119 983297135 /nfs/dbraw/zinc/29/71/35/983297135.db2.gz LGMAUMPIACAQJY-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CNc1ccc(-c2c[nH]cc3nc(C)nc2-3)cn1 ZINC001242070788 983305380 /nfs/dbraw/zinc/30/53/80/983305380.db2.gz CANVFLOIUUFUJA-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN CNc1ccc(-c2cncc3[nH]c(C)nc32)cn1 ZINC001242070788 983305383 /nfs/dbraw/zinc/30/53/83/983305383.db2.gz CANVFLOIUUFUJA-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN C[C@H](c1ncccn1)N1CCC2(CCOC2)CC1 ZINC001354461192 983308965 /nfs/dbraw/zinc/30/89/65/983308965.db2.gz VGVXLXPIXLQLAO-GFCCVEGCSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@@H]1C[C@H]1CNC(=O)c1cc(F)cc(F)c1O ZINC001354497201 983316078 /nfs/dbraw/zinc/31/60/78/983316078.db2.gz ZQUBQEHGZMNXRU-RQJHMYQMSA-N 0 1 241.237 2.056 20 0 BEADMN CCC(CC)CN1CCc2c(ncnc2OC)C1 ZINC001201531662 983326846 /nfs/dbraw/zinc/32/68/46/983326846.db2.gz PBUAPSFMRDYEJX-UHFFFAOYSA-N 0 1 249.358 2.280 20 0 BEADMN CCCC[C@@H](CC)CN1CCN(C#N)CC1 ZINC001201572290 983337241 /nfs/dbraw/zinc/33/72/41/983337241.db2.gz GJRLSUDOQBSDTH-CYBMUJFWSA-N 0 1 223.364 2.301 20 0 BEADMN Cc1cc(-c2nc3nc[nH]c3c(C)n2)ccc1O ZINC001242102371 983340459 /nfs/dbraw/zinc/34/04/59/983340459.db2.gz CNPKHLKEQGPIEH-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN Cc1noc(C)c1-c1nccc2[nH]cnc21 ZINC001242102901 983344888 /nfs/dbraw/zinc/34/48/88/983344888.db2.gz DTPOTEXBDVYKSE-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001201583056 983345228 /nfs/dbraw/zinc/34/52/28/983345228.db2.gz RLBTZKKPGSXFLK-ZETCQYMHSA-N 0 1 249.236 2.288 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC001593803647 983372068 /nfs/dbraw/zinc/37/20/68/983372068.db2.gz OCDLXDAEQIZEDA-AWEZNQCLSA-N 0 1 248.326 2.025 20 0 BEADMN FC(F)C1CN(CCc2ccccc2)C1 ZINC001201610066 983374286 /nfs/dbraw/zinc/37/42/86/983374286.db2.gz NPMPGKYSRCRUSL-UHFFFAOYSA-N 0 1 211.255 2.426 20 0 BEADMN Oc1cc(F)ccc1-c1ncnc2[nH]ccc21 ZINC001242217305 983414655 /nfs/dbraw/zinc/41/46/55/983414655.db2.gz XCSSCOCHNKTWAC-UHFFFAOYSA-N 0 1 229.214 2.421 20 0 BEADMN Cc1cc(C(N)=O)cc(-c2ccc(F)cc2O)n1 ZINC001242217436 983414688 /nfs/dbraw/zinc/41/46/88/983414688.db2.gz OPQUNQGIYCCSBD-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Oc1cc(F)ccc1-c1cc2nccc-2[n-][nH+]1 ZINC001242217514 983415059 /nfs/dbraw/zinc/41/50/59/983415059.db2.gz QHLSMVAYZUZITA-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2nccs2)[nH]n1 ZINC001355252352 983453840 /nfs/dbraw/zinc/45/38/40/983453840.db2.gz KTLMTCYSVLWVDR-SSDOTTSWSA-N 0 1 222.317 2.218 20 0 BEADMN CCCCCCN1CCc2c(ncnc2OC)C1 ZINC001201755381 983459527 /nfs/dbraw/zinc/45/95/27/983459527.db2.gz YMOISZZFFXIXTA-UHFFFAOYSA-N 0 1 249.358 2.424 20 0 BEADMN c1cncc(OC2CN(CC3CCCC3)C2)c1 ZINC001202166373 983579045 /nfs/dbraw/zinc/57/90/45/983579045.db2.gz CBYRKDRUCBIHGE-UHFFFAOYSA-N 0 1 232.327 2.335 20 0 BEADMN CCCC[C@H](O)CN1CCC[C@H]1c1ncccn1 ZINC001252100013 983581730 /nfs/dbraw/zinc/58/17/30/983581730.db2.gz PRYPZZFUWOOEGU-STQMWFEESA-N 0 1 249.358 2.165 20 0 BEADMN CN(C)c1ccnc(-c2cc(F)ccc2CO)c1 ZINC001242340270 983587800 /nfs/dbraw/zinc/58/78/00/983587800.db2.gz YHRFHMHUYYESEF-UHFFFAOYSA-N 0 1 246.285 2.446 20 0 BEADMN Cc1cccc(C)c1NC(=O)NCCN1CCC1 ZINC001202214796 983601832 /nfs/dbraw/zinc/60/18/32/983601832.db2.gz DZFJFMWXMUWBBX-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN O=C1Cc2ccc(-c3cccc(F)c3O)nc2N1 ZINC001242348082 983606537 /nfs/dbraw/zinc/60/65/37/983606537.db2.gz JXLIEJGIRGTURZ-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN Cc1cnc(-c2cccc(F)c2O)cn1 ZINC001242347836 983607304 /nfs/dbraw/zinc/60/73/04/983607304.db2.gz CLFLAEUHOOBTGI-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1c(F)cccc1-c1cnc2cc[nH]c2n1 ZINC001242347988 983609191 /nfs/dbraw/zinc/60/91/91/983609191.db2.gz FRIPXLNUTHMSDY-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc(-c2cccc(F)c2O)ncn1 ZINC001242348406 983610142 /nfs/dbraw/zinc/61/01/42/983610142.db2.gz SPCAPWGMBYQJLC-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1c(F)cccc1-c1cnc2[nH]ccc2n1 ZINC001242348353 983613001 /nfs/dbraw/zinc/61/30/01/983613001.db2.gz RCGCXRJDNDOKOG-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COc1cc(C)c(-c2cccc(F)c2O)nn1 ZINC001242349043 983613200 /nfs/dbraw/zinc/61/32/00/983613200.db2.gz FVLDNBUXPUUIGF-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN FC(F)(F)CCN1CC[C@@H]2CCCO[C@H]2C1 ZINC001202306832 983615341 /nfs/dbraw/zinc/61/53/41/983615341.db2.gz CXAXLVZEJUFYBU-UWVGGRQHSA-N 0 1 237.265 2.440 20 0 BEADMN Cn1cnc2c1CN(CCCC(F)(F)F)CC2 ZINC001202443359 983664398 /nfs/dbraw/zinc/66/43/98/983664398.db2.gz SFWMGYJLOWJKNN-UHFFFAOYSA-N 0 1 247.264 2.121 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)cc1CO ZINC001242384743 983674671 /nfs/dbraw/zinc/67/46/71/983674671.db2.gz TUSILOUTDBBBGA-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)cc1CO ZINC001242384743 983674681 /nfs/dbraw/zinc/67/46/81/983674681.db2.gz TUSILOUTDBBBGA-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN COc1ncc(-c2cccc3[nH]nnc32)cc1C ZINC001242432900 983731439 /nfs/dbraw/zinc/73/14/39/983731439.db2.gz PHYOIDJJUMVMMR-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)n1ccc(-c2cncc3[nH]cnc32)n1 ZINC001242454172 983751937 /nfs/dbraw/zinc/75/19/37/983751937.db2.gz AOSSQBNEKUMBSR-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CC(C)n1ccc(-c2cncc3nc[nH]c32)n1 ZINC001242454172 983751945 /nfs/dbraw/zinc/75/19/45/983751945.db2.gz AOSSQBNEKUMBSR-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN CN(Cc1ccc(-c2ccn(C)n2)nc1)C1CC1 ZINC001242456240 983757620 /nfs/dbraw/zinc/75/76/20/983757620.db2.gz CBAKOQLTQXGRHQ-UHFFFAOYSA-N 0 1 242.326 2.076 20 0 BEADMN CC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCCC1 ZINC001596354341 983817042 /nfs/dbraw/zinc/81/70/42/983817042.db2.gz LGBANYIQDSLXMI-UHFFFAOYSA-N 0 1 236.315 2.477 20 0 BEADMN Nc1cncc(-c2cc3nc[nH]c3cc2F)c1 ZINC001242501350 983824519 /nfs/dbraw/zinc/82/45/19/983824519.db2.gz QRXFIOKNGMZXOR-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1nc(-c2ccnn2C(C)C)nc2nc[nH]c21 ZINC001242555044 983876463 /nfs/dbraw/zinc/87/64/63/983876463.db2.gz NRBBMAXUSWYNFM-UHFFFAOYSA-N 0 1 242.286 2.057 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001137074586 983911549 /nfs/dbraw/zinc/91/15/49/983911549.db2.gz QXZZGLUFHMLBCY-AVGNSLFASA-N 0 1 237.322 2.254 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1ncccc1F ZINC001474594315 983913039 /nfs/dbraw/zinc/91/30/39/983913039.db2.gz GGWATXYOPPUJNG-WDEREUQCSA-N 0 1 240.322 2.107 20 0 BEADMN CCN(CCSC)Cc1ccc(Cl)nn1 ZINC000877608322 983955096 /nfs/dbraw/zinc/95/50/96/983955096.db2.gz PFMVSVBQWQYIRS-UHFFFAOYSA-N 0 1 245.779 2.315 20 0 BEADMN O=c1[nH]cc(-c2cncc3cc[nH]c32)cc1F ZINC001242615506 983999804 /nfs/dbraw/zinc/99/98/04/983999804.db2.gz JNVCHMUMBHSDNQ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1csc(CN2CCCC23COC3)c1 ZINC001137157454 984001030 /nfs/dbraw/zinc/00/10/30/984001030.db2.gz ZARLPSYOFMSNKK-UHFFFAOYSA-N 0 1 223.341 2.421 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC001573910224 984049715 /nfs/dbraw/zinc/04/97/15/984049715.db2.gz IMVVLACKPCOXEK-LBPRGKRZSA-N 0 1 248.326 2.167 20 0 BEADMN Cc1cc2c(cn1)C[N@@H+](CC1CCOCC1)C2 ZINC001202596788 984117807 /nfs/dbraw/zinc/11/78/07/984117807.db2.gz FODGOOCBZRFIPV-UHFFFAOYSA-N 0 1 232.327 2.132 20 0 BEADMN Cc1cc2c(cn1)CN(CC1CCOCC1)C2 ZINC001202596788 984117810 /nfs/dbraw/zinc/11/78/10/984117810.db2.gz FODGOOCBZRFIPV-UHFFFAOYSA-N 0 1 232.327 2.132 20 0 BEADMN C/C=C(\C)c1cccc(C(=O)N2CCNCC2)c1 ZINC001242759565 984120602 /nfs/dbraw/zinc/12/06/02/984120602.db2.gz NLKZHAOLWIVYSZ-KGVSQERTSA-N 0 1 244.338 2.155 20 0 BEADMN CC1(C)CN(CCC2CCOCC2)CCC1=O ZINC001202664625 984148689 /nfs/dbraw/zinc/14/86/89/984148689.db2.gz UWXAHLNRPXMKAX-UHFFFAOYSA-N 0 1 239.359 2.104 20 0 BEADMN CCc1cccc(C)c1-c1cnc(CN)nc1 ZINC001242815325 984180039 /nfs/dbraw/zinc/18/00/39/984180039.db2.gz JBHDSQIOHQRHLU-UHFFFAOYSA-N 0 1 227.311 2.473 20 0 BEADMN CC[C@H](NC(=O)[C@H](N)c1ccccc1C)C1CC1 ZINC001577153925 984191334 /nfs/dbraw/zinc/19/13/34/984191334.db2.gz UNRJIWQJAVALSJ-UONOGXRCSA-N 0 1 246.354 2.300 20 0 BEADMN CCCCC[C@H](O)CNCc1ncc(C)s1 ZINC001253558447 984213852 /nfs/dbraw/zinc/21/38/52/984213852.db2.gz WOKDPGCHBHLPDK-NSHDSACASA-N 0 1 242.388 2.482 20 0 BEADMN C=C(c1ccccc1)c1ncc2c(n1)CNC2 ZINC001242889913 984225508 /nfs/dbraw/zinc/22/55/08/984225508.db2.gz VTXNGDWCQOQYRQ-UHFFFAOYSA-N 0 1 223.279 2.141 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1nccs1 ZINC001242896916 984256352 /nfs/dbraw/zinc/25/63/52/984256352.db2.gz AHNRFBRSCURCSU-UHFFFAOYSA-N 0 1 220.232 2.221 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccncn1 ZINC001242918178 984291887 /nfs/dbraw/zinc/29/18/87/984291887.db2.gz IGTODBAMDWONII-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN1CCc2c(F)cc(-c3ccncn3)cc2C1 ZINC001242920620 984298222 /nfs/dbraw/zinc/29/82/22/984298222.db2.gz GDHCHDDZDWGPTK-UHFFFAOYSA-N 0 1 243.285 2.271 20 0 BEADMN COc1ncc(-c2cc(N)ccn2)cc1Cl ZINC001242929805 984302463 /nfs/dbraw/zinc/30/24/63/984302463.db2.gz NNNUMPIHWXKOIW-UHFFFAOYSA-N 0 1 235.674 2.388 20 0 BEADMN Nc1ccc(-c2cc3[nH]nnc3cc2F)c(F)c1 ZINC001240526396 984318487 /nfs/dbraw/zinc/31/84/87/984318487.db2.gz JPEOPYUCASZCPX-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Cc1cnc(-c2cnn3ccccc23)cc1N ZINC001242964862 984328467 /nfs/dbraw/zinc/32/84/67/984328467.db2.gz RVSAJJXBEINSBN-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN c1nn2ccccc2c1-c1cccc2[nH]nnc21 ZINC001242966740 984331323 /nfs/dbraw/zinc/33/13/23/984331323.db2.gz ZSULZTNLAXSKLV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1nc2cccc(-c3cncc(CO)c3)c2[nH]1 ZINC001242972343 984339829 /nfs/dbraw/zinc/33/98/29/984339829.db2.gz SAWRKAZOVQHTJI-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCCCN(CC)C(=O)CCN1CC[C@H](F)C1 ZINC001440432602 984414207 /nfs/dbraw/zinc/41/42/07/984414207.db2.gz IGDIAMXORHAAIJ-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)CCc1cc(C)[nH]n1 ZINC001441333957 984478492 /nfs/dbraw/zinc/47/84/92/984478492.db2.gz NAKRMBRSNSQWNP-LLVKDONJSA-N 0 1 237.347 2.298 20 0 BEADMN CN(C)Cc1cccc(-c2cncn2C)c1F ZINC001243072219 984504957 /nfs/dbraw/zinc/50/49/57/984504957.db2.gz MRLAWSICECQYOC-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN1CCC12CN(Cc1cccc3cc[nH]c31)C2 ZINC001275164668 984506294 /nfs/dbraw/zinc/50/62/94/984506294.db2.gz OOUAXFLOTAJYOF-UHFFFAOYSA-N 0 1 241.338 2.058 20 0 BEADMN Cc1cc(CCC(=O)NCC2(C)CCCC2)n[nH]1 ZINC001443772317 984536713 /nfs/dbraw/zinc/53/67/13/984536713.db2.gz YNXNENGGVVDOPG-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CN1CCC12CN(Cc1ccccc1C1CC1)C2 ZINC001275413024 984555583 /nfs/dbraw/zinc/55/55/83/984555583.db2.gz FTUXKGCPSBXSIB-UHFFFAOYSA-N 0 1 242.366 2.454 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001444695022 984568388 /nfs/dbraw/zinc/56/83/88/984568388.db2.gz QHUURHKBHSXICE-JGVFFNPUSA-N 0 1 227.283 2.103 20 0 BEADMN CCC(=O)N[C@H](C)CN(C)Cc1ccsc1 ZINC001275489623 984581087 /nfs/dbraw/zinc/58/10/87/984581087.db2.gz ZOQRZSXPEYOINJ-SNVBAGLBSA-N 0 1 240.372 2.095 20 0 BEADMN CC1CC(NC(=O)c2cccc3nc[nH]c32)C1 ZINC001445362708 984592105 /nfs/dbraw/zinc/59/21/05/984592105.db2.gz CECTVNNMOQKHGQ-UHFFFAOYSA-N 0 1 229.283 2.091 20 0 BEADMN Cc1cnc(F)c(-c2cncc3[nH]cnc32)c1 ZINC001243164496 984620776 /nfs/dbraw/zinc/62/07/76/984620776.db2.gz SRNLETFCKBKDRN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc(F)c(-c2cncc3nc[nH]c32)c1 ZINC001243164496 984620780 /nfs/dbraw/zinc/62/07/80/984620780.db2.gz SRNLETFCKBKDRN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCCC1(CNC(=O)CCc2cc(C)[nH]n2)CC1 ZINC001445991896 984622694 /nfs/dbraw/zinc/62/26/94/984622694.db2.gz SKXZNGKMFKYUPQ-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1cc(-c2cc3[nH]cnc3cn2)ccc1CO ZINC001243186524 984647000 /nfs/dbraw/zinc/64/70/00/984647000.db2.gz NYRUIQGDYBUKQB-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(-c2cccc3[nH]nnc32)ccc1CO ZINC001243192919 984676569 /nfs/dbraw/zinc/67/65/69/984676569.db2.gz ZOJCUFCXWIOAKY-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)ccc1CO ZINC001243201342 984689740 /nfs/dbraw/zinc/68/97/40/984689740.db2.gz RVRPGMKSFMTJJD-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)ccc1CO ZINC001243201342 984689755 /nfs/dbraw/zinc/68/97/55/984689755.db2.gz RVRPGMKSFMTJJD-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)Cc1ccn[nH]1 ZINC001446899398 984704210 /nfs/dbraw/zinc/70/42/10/984704210.db2.gz YBBIHJIJHXQUAW-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1cccnc1)C(=O)[O-] ZINC001588959944 984729454 /nfs/dbraw/zinc/72/94/54/984729454.db2.gz VHQGFSXXCHBICF-TUOYRWMMSA-N 0 1 246.310 2.249 20 0 BEADMN Cc1ccc(CN2CC3(CCN3C)C2)cc1C ZINC001275967303 984754842 /nfs/dbraw/zinc/75/48/42/984754842.db2.gz NJIMPGMIVVJQQH-UHFFFAOYSA-N 0 1 230.355 2.193 20 0 BEADMN COCC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC001447681470 984777134 /nfs/dbraw/zinc/77/71/34/984777134.db2.gz FDHOIMQGHOCEMP-ONEGZZNKSA-N 0 1 245.282 2.012 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001256734009 984802068 /nfs/dbraw/zinc/80/20/68/984802068.db2.gz VFJPXHHNVZZLFR-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN Nc1ccc(F)c(-c2cccc3[nH]nnc32)c1 ZINC001243286524 984814405 /nfs/dbraw/zinc/81/44/05/984814405.db2.gz RAMAZMRECRKVAF-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN COc1ccc2nc(-c3cnc(N)s3)[nH]c2c1 ZINC000719945246 984827712 /nfs/dbraw/zinc/82/77/12/984827712.db2.gz ODRWWIWATFWTBI-UHFFFAOYSA-N 0 1 246.295 2.277 20 0 BEADMN CCN(C(=O)CCc1cc(C)[nH]n1)C1CCCC1 ZINC001449262240 984829257 /nfs/dbraw/zinc/82/92/57/984829257.db2.gz GQQIBKHXIWYEMP-UHFFFAOYSA-N 0 1 249.358 2.442 20 0 BEADMN Oc1ccc(-c2ccnc(F)n2)c(F)c1F ZINC001243340965 984830023 /nfs/dbraw/zinc/83/00/23/984830023.db2.gz WYGLMSURWVWWOS-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN CN1CCC12CN(Cc1ccc3[nH]ccc3c1)C2 ZINC001276243230 984835346 /nfs/dbraw/zinc/83/53/46/984835346.db2.gz DMQCAAGMDRKXFH-UHFFFAOYSA-N 0 1 241.338 2.058 20 0 BEADMN C/C(Cl)=C/C(=O)NCc1ccc2nc[nH]c2c1 ZINC001449990249 984854664 /nfs/dbraw/zinc/85/46/64/984854664.db2.gz ZUVLMQRTZMWHIY-YWEYNIOJSA-N 0 1 249.701 2.322 20 0 BEADMN CCC[C@@H](CC)N(C)Cc1ncccn1 ZINC001257257436 984859455 /nfs/dbraw/zinc/85/94/55/984859455.db2.gz QUTPFSJQARDQAY-LLVKDONJSA-N 0 1 207.321 2.487 20 0 BEADMN Cc1cc(-c2nc3nc[nH]c3c(C)n2)cnc1F ZINC001243393832 984881293 /nfs/dbraw/zinc/88/12/93/984881293.db2.gz OFOMCEZQPATEOT-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN Nc1ncccc1-c1cc2nc[nH]c2cc1F ZINC001243477106 985035369 /nfs/dbraw/zinc/03/53/69/985035369.db2.gz JFEOJZNHTRUAAJ-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1cc[nH+]cc1-c1cc(F)cc(F)c1[O-] ZINC001243503303 985062189 /nfs/dbraw/zinc/06/21/89/985062189.db2.gz USZSPOGLVMSTBH-UHFFFAOYSA-N 0 1 222.194 2.145 20 0 BEADMN CCc1ncc(CNC(=O)C2(CC)CCC2)[nH]1 ZINC001456144991 985113601 /nfs/dbraw/zinc/11/36/01/985113601.db2.gz YLUOEYJWWBHDCL-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CCCCC[C@@H](C)N1CC(=O)N2CCC[C@@H]2C1 ZINC001257514090 985143382 /nfs/dbraw/zinc/14/33/82/985143382.db2.gz AZALONOOFDBNRF-CHWSQXEVSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001589445057 985190347 /nfs/dbraw/zinc/19/03/47/985190347.db2.gz ILYCGNZSXYBMBJ-WCQYABFASA-N 0 1 248.326 2.124 20 0 BEADMN Cc1nocc1-c1cnc2nc[nH]c2c1C ZINC001243678948 985194792 /nfs/dbraw/zinc/19/47/92/985194792.db2.gz ZTQFYSWEVPWMCY-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CC1(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000687297140 985285171 /nfs/dbraw/zinc/28/51/71/985285171.db2.gz GSTGSICXKUBCDQ-ZDUSSCGKSA-N 0 1 245.322 2.471 20 0 BEADMN CC(C)C1(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000687534352 985308497 /nfs/dbraw/zinc/30/84/97/985308497.db2.gz LZXPKZRPAKRCAA-LBPRGKRZSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@H](O)c1ccccc1 ZINC000687943127 985423421 /nfs/dbraw/zinc/42/34/21/985423421.db2.gz BYRVYWVJSNPZQB-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CCCCCCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000077312887 985443888 /nfs/dbraw/zinc/44/38/88/985443888.db2.gz MJKSAHBOQDHVMG-LBPRGKRZSA-N 0 1 249.420 2.322 20 0 BEADMN CCCCCCN(C)[C@@H](C)CS(=O)(=O)CC ZINC000077313356 985444121 /nfs/dbraw/zinc/44/41/21/985444121.db2.gz QPRUCNICFBHASM-LBPRGKRZSA-N 0 1 249.420 2.322 20 0 BEADMN Oc1ccc([C@@H]2CCCN2CC2=NOCC2)cc1 ZINC001459678055 985583928 /nfs/dbraw/zinc/58/39/28/985583928.db2.gz RUMUBUHDLJJUGU-AWEZNQCLSA-N 0 1 246.310 2.305 20 0 BEADMN c1nc2cccc(-c3ccn4cnnc4c3)c2[nH]1 ZINC001243931012 985602845 /nfs/dbraw/zinc/60/28/45/985602845.db2.gz CYQJAWWZZCURLK-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Nc1cnccc1-c1cccc2nc[nH]c21 ZINC001243932814 985609880 /nfs/dbraw/zinc/60/98/80/985609880.db2.gz QKIUZZVTHBMPSK-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Fc1ncc(-c2cccc3nc[nH]c32)c(F)n1 ZINC001243936355 985618163 /nfs/dbraw/zinc/61/81/63/985618163.db2.gz PXDPUVXISBESIX-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN CON(C)C(=O)c1ccccc1C1=CNCCC1 ZINC001243950781 985648462 /nfs/dbraw/zinc/64/84/62/985648462.db2.gz MYPHFQZJCWGYKL-UHFFFAOYSA-N 0 1 246.310 2.044 20 0 BEADMN O=C(Cc1ccccc1)OCCN1CC=CCC1 ZINC001459861002 985648460 /nfs/dbraw/zinc/64/84/60/985648460.db2.gz PYHHZSGKMXWINM-UHFFFAOYSA-N 0 1 245.322 2.034 20 0 BEADMN COc1ncccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001206596032 985653345 /nfs/dbraw/zinc/65/33/45/985653345.db2.gz POZIHAMWOXXWPN-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)[C@@H]1C ZINC001594499439 985666448 /nfs/dbraw/zinc/66/64/48/985666448.db2.gz DNDCSDZYRCSGGE-KBVBSXBZSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)[C@@H]1C ZINC001594499439 985666451 /nfs/dbraw/zinc/66/64/51/985666451.db2.gz DNDCSDZYRCSGGE-KBVBSXBZSA-N 0 1 237.274 2.292 20 0 BEADMN CCOC(=O)c1cc(C)c(C2=CNCCC2)cn1 ZINC001243953727 985667863 /nfs/dbraw/zinc/66/78/63/985667863.db2.gz MIJJBMBTUKLPOC-UHFFFAOYSA-N 0 1 246.310 2.291 20 0 BEADMN COc1cncc(-c2ccc3[nH]c(C)nc3c2)n1 ZINC001243962987 985680489 /nfs/dbraw/zinc/68/04/89/985680489.db2.gz LZLSRMPBBRAMLK-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1cc(-c2cc3[nH]cnc3cn2)cc(F)n1 ZINC001243968213 985687448 /nfs/dbraw/zinc/68/74/48/985687448.db2.gz VOXATSWTLKSJAD-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN C[C@H]1C[C@H](c2cccnc2)N(CC2=NOCC2)C1 ZINC001459998490 985698837 /nfs/dbraw/zinc/69/88/37/985698837.db2.gz VJMILFPRTYXDAD-SMDDNHRTSA-N 0 1 245.326 2.241 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C[C@H]1C ZINC001594509678 985781511 /nfs/dbraw/zinc/78/15/11/985781511.db2.gz WZXORHGGNFDCHT-RNJOBUHISA-N 0 1 239.359 2.465 20 0 BEADMN Oc1c(F)cc(-c2ncnn3cccc23)cc1F ZINC001244098071 985814422 /nfs/dbraw/zinc/81/44/22/985814422.db2.gz WOFGOPWMOLLDKL-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CSC(C)(C)C[C@H](C)N(C)C1COC1 ZINC001258342332 985814825 /nfs/dbraw/zinc/81/48/25/985814825.db2.gz VRLQTWILGRZMML-VIFPVBQESA-N 0 1 217.378 2.237 20 0 BEADMN C[C@@H](NC[C@@H]1CCO[C@H](C)C1)c1csnn1 ZINC001460251991 985817781 /nfs/dbraw/zinc/81/77/81/985817781.db2.gz MDYBTWVSCFVPTP-OPRDCNLKSA-N 0 1 241.360 2.004 20 0 BEADMN COC1CCC(=Nc2nccnc2C)CC1 ZINC001212873391 985822746 /nfs/dbraw/zinc/82/27/46/985822746.db2.gz JWUMAGUHOVIFCY-LLVKDONJSA-N 0 1 219.288 2.280 20 0 BEADMN CO[C@H]1CC=C(Nc2nnccc2C)CC1 ZINC001212877211 985843599 /nfs/dbraw/zinc/84/35/99/985843599.db2.gz UXZGFIRITILJFX-NSHDSACASA-N 0 1 219.288 2.280 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCC3(CCC3)C2)cc1C(=O)[O-] ZINC001599964362 985869665 /nfs/dbraw/zinc/86/96/65/985869665.db2.gz YSCLTPHZNUWRFC-UHFFFAOYSA-N 0 1 248.326 2.397 20 0 BEADMN C[C@H](CC1CC1)N1CCN(C(C)(C)C)C(=O)C1 ZINC001258463732 985909605 /nfs/dbraw/zinc/90/96/05/985909605.db2.gz CNZHGOVJBVHRJB-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@@]12CCCOC2 ZINC001460975723 985975014 /nfs/dbraw/zinc/97/50/14/985975014.db2.gz KOSRKUUQAOJHMN-AWEZNQCLSA-N 0 1 249.358 2.253 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCOC(C)(C)C1 ZINC001258622466 985989428 /nfs/dbraw/zinc/98/94/28/985989428.db2.gz NGWUZZVGHBLOGX-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1C[C@@H](N2CCn3nncc3C2)CC(C)(C)C1 ZINC001258701214 986026021 /nfs/dbraw/zinc/02/60/21/986026021.db2.gz QCQLTXYVIBLHDK-VXGBXAGGSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@H]1C[C@@H](N2CCn3nncc3C2)CC(C)(C)C1 ZINC001258701207 986026349 /nfs/dbraw/zinc/02/63/49/986026349.db2.gz QCQLTXYVIBLHDK-NWDGAFQWSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1nc2cc(NCc3ccon3)ccc2n1C ZINC001461297313 986038292 /nfs/dbraw/zinc/03/82/92/986038292.db2.gz KMNYZPCUUOUWDH-UHFFFAOYSA-N 0 1 242.282 2.482 20 0 BEADMN Cc1nocc1NCc1[nH]nc2ccccc21 ZINC001461724647 986123828 /nfs/dbraw/zinc/12/38/28/986123828.db2.gz PFRRGVKTJJNEGR-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1c[nH]c(=O)c(CNCc2cccc(O)c2)c1 ZINC001461807244 986168119 /nfs/dbraw/zinc/16/81/19/986168119.db2.gz NVDKCYQDMDREHE-UHFFFAOYSA-N 0 1 244.294 2.091 20 0 BEADMN CC[C@@H]1CCCN1Cc1nc(CO)cs1 ZINC001461846017 986209732 /nfs/dbraw/zinc/20/97/32/986209732.db2.gz YJNRYFMGARUSOZ-SNVBAGLBSA-N 0 1 226.345 2.010 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1CC(OC(C)=O)C1 ZINC001258795645 986227024 /nfs/dbraw/zinc/22/70/24/986227024.db2.gz SLZFSKBXBHJBFQ-JQWIXIFHSA-N 0 1 227.348 2.449 20 0 BEADMN COc1c(C)ccc(F)c1-c1cnc(CN)nc1 ZINC001244526671 986233540 /nfs/dbraw/zinc/23/35/40/986233540.db2.gz JVDJZMPDAHAWFU-UHFFFAOYSA-N 0 1 247.273 2.058 20 0 BEADMN Cn1c(Cl)cnc1CNC1CC2(CCC2)C1 ZINC000381617975 986307191 /nfs/dbraw/zinc/30/71/91/986307191.db2.gz WNZGUEJPPLJHCA-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN Cc1ccc(CCNCc2ncccc2F)nc1 ZINC001462313142 986344516 /nfs/dbraw/zinc/34/45/16/986344516.db2.gz DTIQJZPXQFCUFE-UHFFFAOYSA-N 0 1 245.301 2.256 20 0 BEADMN COc1ncc(-c2ccc3c[nH+]cn3c2)cc1[O-] ZINC001244846173 986392407 /nfs/dbraw/zinc/39/24/07/986392407.db2.gz LOGSLTGSWYBPES-UHFFFAOYSA-N 0 1 241.250 2.111 20 0 BEADMN CN(C)Cc1cccc(-c2cnc(F)nc2)c1F ZINC001244863376 986403265 /nfs/dbraw/zinc/40/32/65/986403265.db2.gz JKRHZBZYWROWQC-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN CN(C/C=C\c1cccc(F)c1)Cc1nnc[nH]1 ZINC001462180737 986470040 /nfs/dbraw/zinc/47/00/40/986470040.db2.gz YWQBSZXYESOKPR-HYXAFXHYSA-N 0 1 246.289 2.089 20 0 BEADMN c1ncn2ccc(-c3nnc(C4CC4)o3)cc12 ZINC001254054329 986481056 /nfs/dbraw/zinc/48/10/56/986481056.db2.gz MKKGHGLZTNGHKE-UHFFFAOYSA-N 0 1 226.239 2.262 20 0 BEADMN c1nc2c([nH]1)CCC[C@H]2c1nnc(C2CC2)o1 ZINC001254063766 986495752 /nfs/dbraw/zinc/49/57/52/986495752.db2.gz FAKSJFCHYKSXRC-MRVPVSSYSA-N 0 1 230.271 2.138 20 0 BEADMN CNc1cc(-c2cc3[nH]cnc3cn2)ccn1 ZINC001244972710 986548808 /nfs/dbraw/zinc/54/88/08/986548808.db2.gz NSNSSTVUKVJVPK-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1cc(-c2c[nH]cc3nc(C)nc2-3)ccn1 ZINC001244975172 986560574 /nfs/dbraw/zinc/56/05/74/986560574.db2.gz CSLYFZVWGBNUBH-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN CNc1cc(-c2cncc3[nH]c(C)nc32)ccn1 ZINC001244975172 986560583 /nfs/dbraw/zinc/56/05/83/986560583.db2.gz CSLYFZVWGBNUBH-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN Cc1c(F)ccc(F)c1-c1ncc2c(n1)CNC2 ZINC001244981952 986572680 /nfs/dbraw/zinc/57/26/80/986572680.db2.gz JUOBNBOTCCMWDQ-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN COc1cc(-c2cc(N)ccn2)c(Cl)cn1 ZINC001245035032 986601585 /nfs/dbraw/zinc/60/15/85/986601585.db2.gz RBMNGQNSNZKHRQ-UHFFFAOYSA-N 0 1 235.674 2.388 20 0 BEADMN Cc1ccc([C@H](O)CN2CCC[C@H](F)C2)cc1 ZINC000689436599 986603925 /nfs/dbraw/zinc/60/39/25/986603925.db2.gz KAGNHNOESOTDIR-UONOGXRCSA-N 0 1 237.318 2.462 20 0 BEADMN Cc1ccc([C@H](O)CN2CCC[C@@H](F)C2)cc1 ZINC000689436601 986604843 /nfs/dbraw/zinc/60/48/43/986604843.db2.gz KAGNHNOESOTDIR-ZIAGYGMSSA-N 0 1 237.318 2.462 20 0 BEADMN Oc1ccc(Cl)cc1-c1nccn2ncnc12 ZINC001245055283 986608960 /nfs/dbraw/zinc/60/89/60/986608960.db2.gz PCXVYJODSPDZPH-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN O=C(Nc1cnoc1)[C@H]1CCCN1C1CCCC1 ZINC001464740567 986655591 /nfs/dbraw/zinc/65/55/91/986655591.db2.gz MIOSVHQPUDDYIM-GFCCVEGCSA-N 0 1 249.314 2.020 20 0 BEADMN c1ncn2cc(C3=CCCOC3)ccc12 ZINC001245159155 986700789 /nfs/dbraw/zinc/70/07/89/986700789.db2.gz SWERNSWOMJZAFQ-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN Cc1c(CN2CC3CC(C3)C2)nc2ccccn12 ZINC001137274348 986709650 /nfs/dbraw/zinc/70/96/50/986709650.db2.gz QWEANVJHLYXHFL-UHFFFAOYSA-N 0 1 241.338 2.485 20 0 BEADMN Cc1ccc2ncc(CN3CC[C@@H]3C)n2c1 ZINC001137304894 986739735 /nfs/dbraw/zinc/73/97/35/986739735.db2.gz OYOJLHFAUJIDRD-NSHDSACASA-N 0 1 215.300 2.237 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC2(CCC2)C1 ZINC001465939414 986750799 /nfs/dbraw/zinc/75/07/99/986750799.db2.gz MVHBXRSTHDRWCF-UHFFFAOYSA-N 0 1 241.294 2.189 20 0 BEADMN O[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[C@H]1F ZINC001137313904 986752327 /nfs/dbraw/zinc/75/23/27/986752327.db2.gz ZDTJIMIZMCDCOB-OCCSQVGLSA-N 0 1 248.301 2.073 20 0 BEADMN Cc1cc(C)c(CN2CCOC[C@H]2C(C)C)[nH]1 ZINC001137329762 986783976 /nfs/dbraw/zinc/78/39/76/986783976.db2.gz NWNVRTMSUSFUNR-AWEZNQCLSA-N 0 1 236.359 2.488 20 0 BEADMN CC(=O)[C@H](NC1CCOCC1)c1ccccc1 ZINC001255032053 986787417 /nfs/dbraw/zinc/78/74/17/986787417.db2.gz CVULVODKVGHFFC-AWEZNQCLSA-N 0 1 233.311 2.085 20 0 BEADMN C[C@@H]1CCN1Cc1n[nH]c2ccccc21 ZINC001137345125 986808533 /nfs/dbraw/zinc/80/85/33/986808533.db2.gz TUPIJQBBQICGAD-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN c1ccc2c(c1)n[nH]c2CN1CCCCO1 ZINC001137343805 986810286 /nfs/dbraw/zinc/81/02/86/986810286.db2.gz FWLNFMICDUNTTI-UHFFFAOYSA-N 0 1 217.272 2.090 20 0 BEADMN CC1(F)CN(Cc2[nH]nc3ccccc32)C1 ZINC001137344780 986811453 /nfs/dbraw/zinc/81/14/53/986811453.db2.gz CZUQBJYDHXBWCE-UHFFFAOYSA-N 0 1 219.263 2.107 20 0 BEADMN CN(C)C=Cc1ccncc1-c1cc[nH]n1 ZINC001245315741 986812058 /nfs/dbraw/zinc/81/20/58/986812058.db2.gz ZLWSMLONLAYLJK-VMPITWQZSA-N 0 1 214.272 2.004 20 0 BEADMN CC(C)(C)c1ccc(CN2CCC(O)CC2)[nH]1 ZINC001137370720 986834528 /nfs/dbraw/zinc/83/45/28/986834528.db2.gz PONYXBSWKRVLOA-UHFFFAOYSA-N 0 1 236.359 2.269 20 0 BEADMN CCOc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001245397648 986837861 /nfs/dbraw/zinc/83/78/61/986837861.db2.gz SKACIRDECPPBBB-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN F[C@@H]1CN(Cc2c[nH]c3ncccc23)C[C@@H]2C[C@@H]21 ZINC001137397533 986875435 /nfs/dbraw/zinc/87/54/35/986875435.db2.gz LWTODJWRINHFER-TVYUQYBPSA-N 0 1 245.301 2.353 20 0 BEADMN CC(=O)[C@@H](N[C@H]1CCSC1)c1ccccc1 ZINC001255269722 986880088 /nfs/dbraw/zinc/88/00/88/986880088.db2.gz OHOPLCOSJJSHRF-QWHCGFSZSA-N 0 1 235.352 2.412 20 0 BEADMN Nc1ncc(-c2cccc3nc[nH]c32)cc1F ZINC001245521099 986901982 /nfs/dbraw/zinc/90/19/82/986901982.db2.gz XRPLASVJAZFUGX-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ncc(-c2cccc3cncn32)cc1F ZINC001245521869 986905447 /nfs/dbraw/zinc/90/54/47/986905447.db2.gz UPMBXRXBCFOYFO-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN CC(C)(C)OC(=O)Nc1cncc2nc[nH]c21 ZINC001245534579 986907765 /nfs/dbraw/zinc/90/77/65/986907765.db2.gz UUBTVSBRKOOQLL-UHFFFAOYSA-N 0 1 234.259 2.305 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC001593803697 986928960 /nfs/dbraw/zinc/92/89/60/986928960.db2.gz QRIHCQCJLHFNHE-CQSZACIVSA-N 0 1 248.326 2.167 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001468926145 986951896 /nfs/dbraw/zinc/95/18/96/986951896.db2.gz NRONHBVEZLMCCF-VIFPVBQESA-N 0 1 241.237 2.199 20 0 BEADMN CN1CC[C@H](N2CCCC[C@H]2C(F)(F)F)C1 ZINC001255435447 986956095 /nfs/dbraw/zinc/95/60/95/986956095.db2.gz FYIVVGTUCQZBMX-UWVGGRQHSA-N 0 1 236.281 2.107 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1C(=O)CCc1cc(C)[nH]n1 ZINC001465528174 986978567 /nfs/dbraw/zinc/97/85/67/986978567.db2.gz LRYMNHLPCXIVEW-MFKMUULPSA-N 0 1 249.358 2.298 20 0 BEADMN CN(C)c1cc(-c2c(O)cccc2F)ncn1 ZINC001245650995 987010642 /nfs/dbraw/zinc/01/06/42/987010642.db2.gz JXPATGDQENQGPX-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Cn1ccc(-c2cc(O)c(F)c(F)c2F)n1 ZINC001245635631 987011426 /nfs/dbraw/zinc/01/14/26/987011426.db2.gz MTWKNKHTGIFTCR-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN Oc1cccc(F)c1-c1cc2[nH]cnc2cn1 ZINC001245652184 987017210 /nfs/dbraw/zinc/01/72/10/987017210.db2.gz SQPVTGICACXBGT-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CN(C)c1ccc(-c2c(O)cccc2F)nn1 ZINC001245652252 987018820 /nfs/dbraw/zinc/01/88/20/987018820.db2.gz WOWZDSQKUORYHW-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CCN(C)c1cc(-c2c(O)cccc2F)ncn1 ZINC001245655689 987034130 /nfs/dbraw/zinc/03/41/30/987034130.db2.gz WJBNFCWVVHCCRG-UHFFFAOYSA-N 0 1 247.273 2.444 20 0 BEADMN COc1cc(C)c(-c2c(O)cccc2F)nn1 ZINC001245654833 987034794 /nfs/dbraw/zinc/03/47/94/987034794.db2.gz SDMPGPHGQYTKPP-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Oc1cccc(F)c1-c1cc2c(nn1)CCC2 ZINC001245656263 987036204 /nfs/dbraw/zinc/03/62/04/987036204.db2.gz YTCDBACAWLVIJO-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001589488346 987053431 /nfs/dbraw/zinc/05/34/31/987053431.db2.gz XYWACSFOKLNRNM-KWQFWETISA-N 0 1 223.247 2.046 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001589488346 987053438 /nfs/dbraw/zinc/05/34/38/987053438.db2.gz XYWACSFOKLNRNM-KWQFWETISA-N 0 1 223.247 2.046 20 0 BEADMN Cc1c(F)ccc(-c2ncc3c(n2)CNC3)c1F ZINC001245688827 987059790 /nfs/dbraw/zinc/05/97/90/987059790.db2.gz AQTXKGLVNQHFQV-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(O)ccc1C ZINC001471128065 987077953 /nfs/dbraw/zinc/07/79/53/987077953.db2.gz WBVHDSLFKFXMNQ-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN Cc1nc(Cl)ccc1-c1cc2c(nn1)CNC2 ZINC001245769380 987081880 /nfs/dbraw/zinc/08/18/80/987081880.db2.gz RONPIDQELBVGOI-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN Cc1cc(CCC(=O)NC[C@]2(C)CC2(C)C)n[nH]1 ZINC001471619600 987096546 /nfs/dbraw/zinc/09/65/46/987096546.db2.gz LJIQMGFPKVRMQR-AWEZNQCLSA-N 0 1 249.358 2.203 20 0 BEADMN O=C1Cc2ccc(-c3cccn4cncc34)cc2N1 ZINC001245891348 987102334 /nfs/dbraw/zinc/10/23/34/987102334.db2.gz MAKMSOXQCDOUBL-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN Cc1ncnc(C)c1-c1ccc2cncn2c1 ZINC001245895779 987111030 /nfs/dbraw/zinc/11/10/30/987111030.db2.gz CGGFIILQTXFICF-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN Fc1ncc(-c2ccc3cncn3c2)c(F)n1 ZINC001245896106 987113059 /nfs/dbraw/zinc/11/30/59/987113059.db2.gz KYQSURJKHUTRGK-UHFFFAOYSA-N 0 1 232.193 2.070 20 0 BEADMN Cc1c(-c2ccc3cncn3c2)ccc2ncnn21 ZINC001245896266 987114053 /nfs/dbraw/zinc/11/40/53/987114053.db2.gz KKENSQZYHLQUII-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN CCc1nc(-c2ccc3cncn3c2)ncc1F ZINC001245896157 987114759 /nfs/dbraw/zinc/11/47/59/987114759.db2.gz MQBIFFYYWLZUAD-UHFFFAOYSA-N 0 1 242.257 2.493 20 0 BEADMN CCC(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC001594695550 987115918 /nfs/dbraw/zinc/11/59/18/987115918.db2.gz HPPONWZIPDHSQN-ZDUSSCGKSA-N 0 1 249.310 2.113 20 0 BEADMN CCc1ncc(F)c(-c2ccc3cncn3c2)n1 ZINC001245897650 987117513 /nfs/dbraw/zinc/11/75/13/987117513.db2.gz FGYJGXNVESOESX-UHFFFAOYSA-N 0 1 242.257 2.493 20 0 BEADMN O=C1NCc2ccc(-c3ccc4cncn4c3)cc21 ZINC001245897518 987120340 /nfs/dbraw/zinc/12/03/40/987120340.db2.gz CHAVZJXZLWBBSH-UHFFFAOYSA-N 0 1 249.273 2.245 20 0 BEADMN c1cn2cc(-c3ccc4cncn4c3)ncc2n1 ZINC001245896369 987120948 /nfs/dbraw/zinc/12/09/48/987120948.db2.gz MFJFXEKZYMDQSP-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN c1nc2cc(-c3ccc4cncn4c3)ccn2n1 ZINC001245897311 987122748 /nfs/dbraw/zinc/12/27/48/987122748.db2.gz XVIIWWOOWUNSEC-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CC(C)c1cc(=O)n(-c2cc(F)nc(F)c2)[nH]1 ZINC001245917639 987137298 /nfs/dbraw/zinc/13/72/98/987137298.db2.gz ODCVZZBBHUFCCJ-UHFFFAOYSA-N 0 1 239.225 2.375 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1Cc1ccncc1 ZINC001245924279 987167849 /nfs/dbraw/zinc/16/78/49/987167849.db2.gz BLOCJLCVBQKLNA-UHFFFAOYSA-N 0 1 229.283 2.300 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1cccnc1F ZINC001245923983 987170063 /nfs/dbraw/zinc/17/00/63/987170063.db2.gz UMBKWLLCOLRWJS-UHFFFAOYSA-N 0 1 233.246 2.380 20 0 BEADMN CC(C)(C)c1ccc(-n2[nH]c(CO)cc2=O)cc1 ZINC001245925604 987172581 /nfs/dbraw/zinc/17/25/81/987172581.db2.gz SBMCQBKBEZFKCM-UHFFFAOYSA-N 0 1 246.310 2.368 20 0 BEADMN Cc1cc(=O)n(-c2cccc(F)c2F)[nH]1 ZINC001245928326 987185937 /nfs/dbraw/zinc/18/59/37/987185937.db2.gz UJTSIMAIHKFOGT-UHFFFAOYSA-N 0 1 210.183 2.165 20 0 BEADMN O=C(CCC1CC1)Nc1ccc2cncn2c1 ZINC001472133981 987186005 /nfs/dbraw/zinc/18/60/05/987186005.db2.gz PJGYQZFQDVZXPR-UHFFFAOYSA-N 0 1 229.283 2.463 20 0 BEADMN Cc1cc(=O)n(-c2c(F)c(F)cc(F)c2F)[nH]1 ZINC001245928139 987190249 /nfs/dbraw/zinc/19/02/49/987190249.db2.gz OABDVMJJDNZWPX-UHFFFAOYSA-N 0 1 246.163 2.443 20 0 BEADMN COCCc1cc(=O)n([C@@H](C)c2ccccc2)[nH]1 ZINC001245939606 987209932 /nfs/dbraw/zinc/20/99/32/987209932.db2.gz JRORIVKUUFVGMA-NSHDSACASA-N 0 1 246.310 2.387 20 0 BEADMN O=C1CC(c2ccc(O)cc2)=NN1C1CC1 ZINC001245941386 987210532 /nfs/dbraw/zinc/21/05/32/987210532.db2.gz KLEKOEVQCSQFFK-UHFFFAOYSA-N 0 1 216.240 2.296 20 0 BEADMN COCCc1cc(=O)n(-c2cccc(C)c2)[nH]1 ZINC001245939968 987214400 /nfs/dbraw/zinc/21/44/00/987214400.db2.gz QIBZJLHRIVRWHN-UHFFFAOYSA-N 0 1 232.283 2.075 20 0 BEADMN O=c1cc(C2CCOCC2)[nH]n1CC1CCC1 ZINC001245943820 987216231 /nfs/dbraw/zinc/21/62/31/987216231.db2.gz VMIUOQBDLRFUEX-UHFFFAOYSA-N 0 1 236.315 2.283 20 0 BEADMN CCCCCc1cc(=O)n(Cc2cnccn2)[nH]1 ZINC001245942232 987219851 /nfs/dbraw/zinc/21/98/51/987219851.db2.gz JOERDQHRDDXKHV-UHFFFAOYSA-N 0 1 246.314 2.160 20 0 BEADMN CCCn1[nH]c(CC(F)(F)F)cc1=O ZINC001245952370 987232690 /nfs/dbraw/zinc/23/26/90/987232690.db2.gz OPUMQLLBNRMCRX-UHFFFAOYSA-N 0 1 208.183 2.104 20 0 BEADMN CC(C)Cn1[nH]c(CC(F)(F)F)cc1=O ZINC001245953124 987236414 /nfs/dbraw/zinc/23/64/14/987236414.db2.gz YRLGWKIYMASPPL-UHFFFAOYSA-N 0 1 222.210 2.350 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc([C@@H]2CCCc3[nH]cnc32)o1 ZINC001256661079 987263553 /nfs/dbraw/zinc/26/35/53/987263553.db2.gz YWNZMIWOQHGKPN-IWSPIJDZSA-N 0 1 244.298 2.384 20 0 BEADMN c1csc(NCc2ccc3cncn3c2)n1 ZINC001472802525 987284846 /nfs/dbraw/zinc/28/48/46/987284846.db2.gz VUEFTKVMHRSXHF-UHFFFAOYSA-N 0 1 230.296 2.403 20 0 BEADMN Cc1nnc(CNC[C@H](C)c2ccccn2)s1 ZINC000692920755 987296297 /nfs/dbraw/zinc/29/62/97/987296297.db2.gz FXAYSYUYHCUEJS-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN Cc1cccc(CN2CC[C@H](F)[C@H](O)C2)c1F ZINC001137672525 987344950 /nfs/dbraw/zinc/34/49/50/987344950.db2.gz KUZUQACQDFBNHQ-NWDGAFQWSA-N 0 1 241.281 2.039 20 0 BEADMN CC[C@H]1CCN(Cc2nnc3n2CCCC3)[C@@H]1C ZINC001473403587 987424684 /nfs/dbraw/zinc/42/46/84/987424684.db2.gz VOIDQNLOBXJHAJ-NEPJUHHUSA-N 0 1 248.374 2.235 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001116052136 987432046 /nfs/dbraw/zinc/43/20/46/987432046.db2.gz SWWAHQHWXTWMIJ-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1ccc(Cl)s1 ZINC001473476382 987446717 /nfs/dbraw/zinc/44/67/17/987446717.db2.gz OTKRYNFVSAPHOW-CBAPKCEASA-N 0 1 231.748 2.357 20 0 BEADMN CCOC(=O)[C@@H]1C2CCC(CC2)N1CCCF ZINC001473496638 987457417 /nfs/dbraw/zinc/45/74/17/987457417.db2.gz LCIQVUGLKMSGDJ-MCIGGMRASA-N 0 1 243.322 2.152 20 0 BEADMN COC[C@H](NCc1cc(C)[nH]n1)c1ccc(C)o1 ZINC001116190721 987467347 /nfs/dbraw/zinc/46/73/47/987467347.db2.gz LXWKZUQSWDIZSH-LBPRGKRZSA-N 0 1 249.314 2.097 20 0 BEADMN CC1(C)CN([C@@H](C(N)=O)c2ccccc2)C1(C)C ZINC001116338815 987527799 /nfs/dbraw/zinc/52/77/99/987527799.db2.gz ILGGAFOQZBRULA-GFCCVEGCSA-N 0 1 246.354 2.333 20 0 BEADMN Cc1ccc(CC(=O)Nc2nc(C(C)C)n[nH]2)o1 ZINC001116372433 987534880 /nfs/dbraw/zinc/53/48/80/987534880.db2.gz MWOLDIVTLZUXPU-UHFFFAOYSA-N 0 1 248.286 2.011 20 0 BEADMN Cc1ccc(CC(=O)Nc2n[nH]c(C(C)C)n2)o1 ZINC001116372433 987534886 /nfs/dbraw/zinc/53/48/86/987534886.db2.gz MWOLDIVTLZUXPU-UHFFFAOYSA-N 0 1 248.286 2.011 20 0 BEADMN Cc1cc(CN(C)CCC(F)(F)F)n[nH]1 ZINC001116440877 987568921 /nfs/dbraw/zinc/56/89/21/987568921.db2.gz WMLNGZQFIUVVHC-UHFFFAOYSA-N 0 1 221.226 2.102 20 0 BEADMN CC(F)(F)CN1CCN(CCC2CC2)CC1 ZINC001473829353 987572085 /nfs/dbraw/zinc/57/20/85/987572085.db2.gz RIHBFAXTLMWIDP-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN C[C@]1(NCC2=NOCC2)CCOc2ccccc21 ZINC001473823507 987575952 /nfs/dbraw/zinc/57/59/52/987575952.db2.gz JBILEUNJYAKJBB-AWEZNQCLSA-N 0 1 246.310 2.050 20 0 BEADMN Cc1c(C(=O)NC2CCCC2)ccc2cncn21 ZINC001116487530 987601180 /nfs/dbraw/zinc/60/11/80/987601180.db2.gz SHQPTAUFGSQFNK-UHFFFAOYSA-N 0 1 243.310 2.315 20 0 BEADMN CC(C)CC[C@H](C)N[C@H]1CCNCC1(F)F ZINC001246215679 987613587 /nfs/dbraw/zinc/61/35/87/987613587.db2.gz XZOMQYXOGFEMIE-QWRGUYRKSA-N 0 1 234.334 2.398 20 0 BEADMN CC(C)CC[C@H](C)N[C@@H]1CCNCC1(F)F ZINC001246215681 987613995 /nfs/dbraw/zinc/61/39/95/987613995.db2.gz XZOMQYXOGFEMIE-WDEREUQCSA-N 0 1 234.334 2.398 20 0 BEADMN Cn1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC001474009807 987628899 /nfs/dbraw/zinc/62/88/99/987628899.db2.gz HRUGNYLQOHRKMG-HIFRSBDPSA-N 0 1 241.338 2.141 20 0 BEADMN Cc1nnc(SCCCc2ccncc2)[nH]1 ZINC001116591954 987635427 /nfs/dbraw/zinc/63/54/27/987635427.db2.gz DGDCVIGDOCXRQB-UHFFFAOYSA-N 0 1 234.328 2.233 20 0 BEADMN COc1ccnc(NCc2cnsc2)c1 ZINC001474098360 987642472 /nfs/dbraw/zinc/64/24/72/987642472.db2.gz SZBGRROKZAFTMN-UHFFFAOYSA-N 0 1 221.285 2.159 20 0 BEADMN Cn1cnc(CNC/C=C/c2ccc(F)cc2)c1 ZINC001474294838 987678855 /nfs/dbraw/zinc/67/88/55/987678855.db2.gz VGHNJQMPWPHNMX-NSCUHMNNSA-N 0 1 245.301 2.362 20 0 BEADMN C[C@H]1CCCCCN1Cc1nc(CO)cs1 ZINC001474457890 987728419 /nfs/dbraw/zinc/72/84/19/987728419.db2.gz SDYKZSYLQYSKFE-JTQLQIEISA-N 0 1 240.372 2.400 20 0 BEADMN CSc1ccc(CN2CC[C@@H](C)[C@@H](O)C2)o1 ZINC001474500583 987742052 /nfs/dbraw/zinc/74/20/52/987742052.db2.gz FRZGSGZNYIBKAW-KOLCDFICSA-N 0 1 241.356 2.204 20 0 BEADMN Cc1nnc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC001117703295 987867077 /nfs/dbraw/zinc/86/70/77/987867077.db2.gz JLSZYYDWZDZREB-QMSLJYSESA-N 0 1 227.333 2.161 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001594960544 987892449 /nfs/dbraw/zinc/89/24/49/987892449.db2.gz HRDOWJDXZWUVCH-DTWKUNHWSA-N 0 1 240.303 2.412 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001594960769 987893302 /nfs/dbraw/zinc/89/33/02/987893302.db2.gz MKKKDYQNEJQXDI-SECBINFHSA-N 0 1 238.331 2.499 20 0 BEADMN CN(CCn1cccn1)Cc1cccn1C1CC1 ZINC001117784074 987910735 /nfs/dbraw/zinc/91/07/35/987910735.db2.gz NYZKXKOQUFYFPZ-UHFFFAOYSA-N 0 1 244.342 2.152 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ncoc2C(C)C)C1 ZINC001321483715 987919940 /nfs/dbraw/zinc/91/99/40/987919940.db2.gz HRAQLJYIGLFLMY-CYBMUJFWSA-N 0 1 238.331 2.145 20 0 BEADMN Cc1nccn1-c1ccncc1NC(=O)C(C)C ZINC001321819327 988006424 /nfs/dbraw/zinc/00/64/24/988006424.db2.gz SEZGDOVGGMYWDP-UHFFFAOYSA-N 0 1 244.298 2.170 20 0 BEADMN Nc1nc2c(c(NC/C=C\C3CC3)n1)CCCC2 ZINC001118124233 988025651 /nfs/dbraw/zinc/02/56/51/988025651.db2.gz XGAVSTGTVNBDRM-ARJAWSKDSA-N 0 1 244.342 2.316 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)CCC(C)C)C1 ZINC001494335175 988124318 /nfs/dbraw/zinc/12/43/18/988124318.db2.gz BYORRNZMRZKXFI-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC001322483184 988291827 /nfs/dbraw/zinc/29/18/27/988291827.db2.gz AODHGBTWCMCKFW-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN C/C=C(\CC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC001118458562 988362656 /nfs/dbraw/zinc/36/26/56/988362656.db2.gz FPZASKTUMCTEQN-MOIHINDBSA-N 0 1 237.303 2.328 20 0 BEADMN C1CC1c1n[nH]c(S[C@H]2CCSC2)n1 ZINC001118474192 988369043 /nfs/dbraw/zinc/36/90/43/988369043.db2.gz ZKRAEKIIGUOWGR-ZETCQYMHSA-N 0 1 227.358 2.280 20 0 BEADMN C1CC1c1nc(S[C@H]2CCSC2)n[nH]1 ZINC001118474192 988369054 /nfs/dbraw/zinc/36/90/54/988369054.db2.gz ZKRAEKIIGUOWGR-ZETCQYMHSA-N 0 1 227.358 2.280 20 0 BEADMN Cc1cc(CN(C)Cc2ccc(C)o2)n[nH]1 ZINC001323283108 988487157 /nfs/dbraw/zinc/48/71/57/988487157.db2.gz WTPCGZHEYWURFJ-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC001323481915 988538929 /nfs/dbraw/zinc/53/89/29/988538929.db2.gz DUNDXUAIIVKJJR-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@@H](CC(C)C)N1CC[C@H](N)C(F)(F)C1 ZINC001246839539 988540515 /nfs/dbraw/zinc/54/05/15/988540515.db2.gz XXDPANXSGUASSF-QWRGUYRKSA-N 0 1 234.334 2.479 20 0 BEADMN CC[C@H](CC(C)C)N1CC[C@@H](N)C(F)(F)C1 ZINC001246839537 988542353 /nfs/dbraw/zinc/54/23/53/988542353.db2.gz XXDPANXSGUASSF-GHMZBOCLSA-N 0 1 234.334 2.479 20 0 BEADMN C[C@@H]1CC[C@H](N2CC[C@@H](N)C(F)(F)C2)C[C@H]1C ZINC001246839884 988546337 /nfs/dbraw/zinc/54/63/37/988546337.db2.gz ZWSAGFYHCGDJNC-WISYIIOYSA-N 0 1 246.345 2.479 20 0 BEADMN CC[C@@H](C)C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001499631739 988550799 /nfs/dbraw/zinc/55/07/99/988550799.db2.gz JYLPRDWSTJMCNE-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCCN1CC(N(C)C(=O)CC2CC2)C1 ZINC001323873968 988643791 /nfs/dbraw/zinc/64/37/91/988643791.db2.gz WEROJFUURFWBGF-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CN2CCc3c2cccc3F)n[nH]1 ZINC001323952619 988657104 /nfs/dbraw/zinc/65/71/04/988657104.db2.gz KCHJWUWATSLBAO-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CO[C@@H]1C[C@H](N(C)Cc2cc(C)n[nH]2)C12CCC2 ZINC001324439372 988842439 /nfs/dbraw/zinc/84/24/39/988842439.db2.gz VWSAHNBHPDYWKE-QWHCGFSZSA-N 0 1 249.358 2.108 20 0 BEADMN OCCc1nc2ccc(C(F)F)cc2[nH]1 ZINC001247021600 988845227 /nfs/dbraw/zinc/84/52/27/988845227.db2.gz WUZPYYKAFYSDHX-UHFFFAOYSA-N 0 1 212.199 2.035 20 0 BEADMN CC(C)(CF)NCc1cccc(F)c1N ZINC001119246064 988862160 /nfs/dbraw/zinc/86/21/60/988862160.db2.gz WPMAJGKHWYYBCF-UHFFFAOYSA-N 0 1 214.259 2.246 20 0 BEADMN Cc1cccc2nc(NCCN3CCC3)oc21 ZINC001324486500 988854555 /nfs/dbraw/zinc/85/45/55/988854555.db2.gz MTVHLJAKLNLENT-UHFFFAOYSA-N 0 1 231.299 2.254 20 0 BEADMN CCC(C)=C(C)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001324524278 988866037 /nfs/dbraw/zinc/86/60/37/988866037.db2.gz JDHNLVQCROPGFX-HJWRWDBZSA-N 0 1 248.330 2.045 20 0 BEADMN Cc1nnc(SCCCOC(F)(F)F)[nH]1 ZINC001119285777 988884782 /nfs/dbraw/zinc/88/47/82/988884782.db2.gz DRHCNCZNDHZAMS-UHFFFAOYSA-N 0 1 241.238 2.132 20 0 BEADMN CNCc1nc(-c2ccc3occc3c2)no1 ZINC001247431726 988885726 /nfs/dbraw/zinc/88/57/26/988885726.db2.gz OBVMZNMSGYDXAQ-UHFFFAOYSA-N 0 1 229.239 2.202 20 0 BEADMN c1snnc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC001119303594 988905819 /nfs/dbraw/zinc/90/58/19/988905819.db2.gz DJFPXIMJRKJZEQ-WDEREUQCSA-N 0 1 223.345 2.206 20 0 BEADMN COc1cc(F)ccc1NCc1cc(C)[nH]n1 ZINC001324762898 988972171 /nfs/dbraw/zinc/97/21/71/988972171.db2.gz CBXVFQOUXQJJLO-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN Cc1cc(OCC[C@H](O)C(C)C)cc(C)n1 ZINC001119344806 988985571 /nfs/dbraw/zinc/98/55/71/988985571.db2.gz VTLQFNQTEFJAKM-ZDUSSCGKSA-N 0 1 223.316 2.484 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H]2C(C)(C)C)n[nH]1 ZINC001515112993 988989446 /nfs/dbraw/zinc/98/94/46/988989446.db2.gz FTTMBUMAUNSCQU-NSHDSACASA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H]1CC[C@H](c2nc(-c3cccnc3)no2)NC1 ZINC001247818422 989027349 /nfs/dbraw/zinc/02/73/49/989027349.db2.gz MHZXUNVUUWQJQU-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1cc(F)cc(N2CCN(C3CCC3)CC2)n1 ZINC001515460737 989052045 /nfs/dbraw/zinc/05/20/45/989052045.db2.gz YPQJMEHGOINWGM-UHFFFAOYSA-N 0 1 249.333 2.204 20 0 BEADMN CC/C=C\CCN1CCC[C@H]1C(=O)OCC ZINC000342649579 989076223 /nfs/dbraw/zinc/07/62/23/989076223.db2.gz BUWDRIJCGDYEIF-FJOGCWAESA-N 0 1 225.332 2.370 20 0 BEADMN CC/C(C)=C(/C)C(=O)Nc1n[nH]c(CC)n1 ZINC001325091789 989084217 /nfs/dbraw/zinc/08/42/17/989084217.db2.gz RJZRFQGVVDPHID-FPLPWBNLSA-N 0 1 222.292 2.052 20 0 BEADMN CCC(C)=C(C)C(=O)Nc1nc(CC)n[nH]1 ZINC001325091789 989084229 /nfs/dbraw/zinc/08/42/29/989084229.db2.gz RJZRFQGVVDPHID-FPLPWBNLSA-N 0 1 222.292 2.052 20 0 BEADMN Fc1cccc(-c2noc([C@@H]3C=CCN3)n2)c1F ZINC001248229663 989085091 /nfs/dbraw/zinc/08/50/91/989085091.db2.gz SASRSAFISUKQIW-VIFPVBQESA-N 0 1 249.220 2.215 20 0 BEADMN CCc1cccc(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248230172 989090066 /nfs/dbraw/zinc/09/00/66/989090066.db2.gz VTUFUCJCNUQCOH-LBPRGKRZSA-N 0 1 241.294 2.500 20 0 BEADMN COC1(CN(C)Cc2ccns2)CCC1 ZINC001119503182 989113145 /nfs/dbraw/zinc/11/31/45/989113145.db2.gz XZEUFLQSMCPGPN-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3nccs3)C2)[nH]n1 ZINC001119516251 989121455 /nfs/dbraw/zinc/12/14/55/989121455.db2.gz SJUALVXQWHYTKH-SNVBAGLBSA-N 0 1 248.355 2.164 20 0 BEADMN c1c2cccnc2[nH]c1Nc1ccncc1 ZINC001248694939 989128496 /nfs/dbraw/zinc/12/84/96/989128496.db2.gz WNHIQWSXPCZEOI-UHFFFAOYSA-N 0 1 210.240 2.123 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2onc(C)c2c1 ZINC001248712447 989131859 /nfs/dbraw/zinc/13/18/59/989131859.db2.gz NKLFLQQTYMYRDN-LBPRGKRZSA-N 0 1 246.310 2.357 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2onc(C)c2c1 ZINC001248712446 989132929 /nfs/dbraw/zinc/13/29/29/989132929.db2.gz NKLFLQQTYMYRDN-GFCCVEGCSA-N 0 1 246.310 2.357 20 0 BEADMN CN(CN1C(=O)CC1(C)C)C1CC(C)(C)C1 ZINC001325261206 989134634 /nfs/dbraw/zinc/13/46/34/989134634.db2.gz LLHLXXMZRKSCSV-UHFFFAOYSA-N 0 1 224.348 2.075 20 0 BEADMN Cc1c(F)cccc1-c1noc([C@@]2(C)CCN2)n1 ZINC001248721581 989137825 /nfs/dbraw/zinc/13/78/25/989137825.db2.gz KOGMWYUTXJYARV-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cc(CN2CC3(CC(O)C3)C2)cs1 ZINC001248800678 989146663 /nfs/dbraw/zinc/14/66/63/989146663.db2.gz GSIUJHVYGBGFNX-UHFFFAOYSA-N 0 1 223.341 2.013 20 0 BEADMN Cc1cc(CN2CC(C)(C)C2(C)C)n(C)n1 ZINC001325366170 989176006 /nfs/dbraw/zinc/17/60/06/989176006.db2.gz JTOQIUSQRNWEPJ-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C)[C@H](C)C1 ZINC001248856868 989190175 /nfs/dbraw/zinc/19/01/75/989190175.db2.gz ACOBDWASZHFKHE-VHSXEESVSA-N 0 1 223.320 2.246 20 0 BEADMN CO[C@H]1CCN(Cc2nc3ccc(C)cc3[nH]2)C1 ZINC001248839976 989191558 /nfs/dbraw/zinc/19/15/58/989191558.db2.gz DVJIFYBCPJUHTB-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CCN(CCOC)Cc1nc2ccc(C)cc2[nH]1 ZINC001248839240 989193253 /nfs/dbraw/zinc/19/32/53/989193253.db2.gz ANIQWFPMMUZYNA-UHFFFAOYSA-N 0 1 247.342 2.340 20 0 BEADMN Cc1nonc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001248856905 989197192 /nfs/dbraw/zinc/19/71/92/989197192.db2.gz BIUSJIZXUIYFQJ-WDEREUQCSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001248856905 989197199 /nfs/dbraw/zinc/19/71/99/989197199.db2.gz BIUSJIZXUIYFQJ-WDEREUQCSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001248856904 989198133 /nfs/dbraw/zinc/19/81/33/989198133.db2.gz BIUSJIZXUIYFQJ-QWRGUYRKSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1CN1CC[C@@H]2CCC[C@H]2C1 ZINC001248856904 989198141 /nfs/dbraw/zinc/19/81/41/989198141.db2.gz BIUSJIZXUIYFQJ-QWRGUYRKSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCOC2)ccc1Cl ZINC001248877931 989208637 /nfs/dbraw/zinc/20/86/37/989208637.db2.gz OQKOVHCHGAKOCF-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN Cc1cc(C)nc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001248932162 989218035 /nfs/dbraw/zinc/21/80/35/989218035.db2.gz FOALMAQDICJOIN-BETUJISGSA-N 0 1 231.343 2.325 20 0 BEADMN CC1(C)CCC[C@H](CSCc2nnc[nH]2)O1 ZINC001119606250 989225745 /nfs/dbraw/zinc/22/57/45/989225745.db2.gz BPDHRVQHGQVNFI-SECBINFHSA-N 0 1 241.360 2.386 20 0 BEADMN CCC(C)(C)[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119612079 989237774 /nfs/dbraw/zinc/23/77/74/989237774.db2.gz SNJXPUNFILQFEL-VIFPVBQESA-N 0 1 242.344 2.122 20 0 BEADMN CN[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC001248999946 989238783 /nfs/dbraw/zinc/23/87/83/989238783.db2.gz NCHOCXOVVDPHEM-JTQLQIEISA-N 0 1 232.287 2.048 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(C)cc(C)n2)C1 ZINC001248982405 989241096 /nfs/dbraw/zinc/24/10/96/989241096.db2.gz BHOWNNZUNBIBHN-GFCCVEGCSA-N 0 1 219.332 2.325 20 0 BEADMN CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H]1C=CCC1 ZINC001517837909 989251244 /nfs/dbraw/zinc/25/12/44/989251244.db2.gz ZEOHKRSJEUAZFO-RYUDHWBXSA-N 0 1 223.316 2.121 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)O[C@H]1C=CCC1 ZINC001517837909 989251251 /nfs/dbraw/zinc/25/12/51/989251251.db2.gz ZEOHKRSJEUAZFO-RYUDHWBXSA-N 0 1 223.316 2.121 20 0 BEADMN C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)C[C@H]1C(=O)[O-] ZINC001599865759 989252654 /nfs/dbraw/zinc/25/26/54/989252654.db2.gz PFHRFXKONGLRCN-KTEZZQQRSA-N 0 1 237.343 2.219 20 0 BEADMN CCNCc1nc(-c2cccc(C(C)=O)c2)no1 ZINC001249133372 989256137 /nfs/dbraw/zinc/25/61/37/989256137.db2.gz SNUKSLKKJCBYHW-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC001325783075 989258696 /nfs/dbraw/zinc/25/86/96/989258696.db2.gz UDLWIDVZLSQHED-AEJSXWLSSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC001325783075 989258708 /nfs/dbraw/zinc/25/87/08/989258708.db2.gz UDLWIDVZLSQHED-AEJSXWLSSA-N 0 1 248.330 2.303 20 0 BEADMN Cc1cnccc1-c1noc([C@](C)(N)C(C)C)n1 ZINC001249280379 989268376 /nfs/dbraw/zinc/26/83/76/989268376.db2.gz BUGXXXYJFRMZKC-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1cccc(-c2noc([C@@](C)(N)C(C)C)n2)n1 ZINC001249280311 989271538 /nfs/dbraw/zinc/27/15/38/989271538.db2.gz UOJUFPYGGFWHKD-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN COc1ccc2nc(CN3CC(C)(F)C3)[nH]c2c1 ZINC001249411913 989276278 /nfs/dbraw/zinc/27/62/78/989276278.db2.gz NUIYUHHIXQVBEZ-UHFFFAOYSA-N 0 1 249.289 2.115 20 0 BEADMN COc1ccc2nc(CN3CC[C@H](F)C3)[nH]c2c1 ZINC001249412187 989277461 /nfs/dbraw/zinc/27/74/61/989277461.db2.gz XEPLIWNMQGDTBT-VIFPVBQESA-N 0 1 249.289 2.115 20 0 BEADMN COc1ccc2[nH]c(CN(C)C(C)C)nc2c1 ZINC001249411491 989277577 /nfs/dbraw/zinc/27/75/77/989277577.db2.gz ZHKFMMQQVBRTFG-UHFFFAOYSA-N 0 1 233.315 2.412 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OCCC(C)(F)F ZINC001518476025 989313335 /nfs/dbraw/zinc/31/33/35/989313335.db2.gz MYSABDGKRGZIBB-JTQLQIEISA-N 0 1 249.301 2.448 20 0 BEADMN COC/C(C)=C\CN1CCC[C@H](OC(F)F)C1 ZINC001119803769 989408874 /nfs/dbraw/zinc/40/88/74/989408874.db2.gz AYHMQLXKVRHNHN-VQNWOSHQSA-N 0 1 249.301 2.283 20 0 BEADMN Cc1nnc([C@H](C)NCCCc2cccnc2)o1 ZINC001119814677 989418944 /nfs/dbraw/zinc/41/89/44/989418944.db2.gz WBXDPLOJILXXTI-JTQLQIEISA-N 0 1 246.314 2.056 20 0 BEADMN CC(C)[C@@H](N)c1noc(C[C@@H]2C=CCC2)n1 ZINC001326236141 989437781 /nfs/dbraw/zinc/43/77/81/989437781.db2.gz DEUHSMVXVLMAPZ-MWLCHTKSSA-N 0 1 221.304 2.234 20 0 BEADMN O=C(NCCCC(F)F)c1cccc(F)c1O ZINC001119993708 989548967 /nfs/dbraw/zinc/54/89/67/989548967.db2.gz PYUBSTYNDMDZLA-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN Cc1c(C(=O)NC2CC=CC2)ccc2cncn21 ZINC001326434873 989555049 /nfs/dbraw/zinc/55/50/49/989555049.db2.gz QJVYMKOQNHATFS-UHFFFAOYSA-N 0 1 241.294 2.091 20 0 BEADMN Cc1cc(CNCc2cccn2C2CC2)n(C)n1 ZINC001326445906 989559881 /nfs/dbraw/zinc/55/98/81/989559881.db2.gz HDGJHRKJXHQWIS-UHFFFAOYSA-N 0 1 244.342 2.155 20 0 BEADMN Cc1cc(CN(C)Cc2cccc(C)n2)n[nH]1 ZINC001326447793 989563863 /nfs/dbraw/zinc/56/38/63/989563863.db2.gz WZWSVMZVORHURD-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN FC(F)(F)CCCN1CCn2cncc2C1 ZINC001120043045 989574816 /nfs/dbraw/zinc/57/48/16/989574816.db2.gz FEBDIUPIKZASHU-UHFFFAOYSA-N 0 1 233.237 2.041 20 0 BEADMN FC(F)CCCNCc1cscn1 ZINC001120047087 989577338 /nfs/dbraw/zinc/57/73/38/989577338.db2.gz YPTGOVVNXIMXHY-UHFFFAOYSA-N 0 1 206.261 2.278 20 0 BEADMN Cc1nnc(SC[C@@H]2CCO[C@H](C)C2)[nH]1 ZINC001326594082 989619719 /nfs/dbraw/zinc/61/97/19/989619719.db2.gz VUDHRAJTGNOAMG-VXNVDRBHSA-N 0 1 227.333 2.020 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001603768098 989710944 /nfs/dbraw/zinc/71/09/44/989710944.db2.gz IPRJHHROCZCFJS-GHMZBOCLSA-N 0 1 245.388 2.171 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)c1C ZINC001521892543 989813275 /nfs/dbraw/zinc/81/32/75/989813275.db2.gz DGFDVEUQZIVREN-XPTSAGLGSA-N 0 1 249.358 2.469 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1cccc(F)c1O ZINC001521988677 989821754 /nfs/dbraw/zinc/82/17/54/989821754.db2.gz XUBSTVGKTDGPAZ-BDAKNGLRSA-N 0 1 237.274 2.307 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@H]1CN2CCC1CC2 ZINC001120687868 989832420 /nfs/dbraw/zinc/83/24/20/989832420.db2.gz VUBGWYRCWBBRNE-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc([C@H](C)Nc2nccnc2CN)c(C)o1 ZINC001120810214 989895553 /nfs/dbraw/zinc/89/55/53/989895553.db2.gz RHCWMBDLXKEQJC-VIFPVBQESA-N 0 1 246.314 2.318 20 0 BEADMN CC(C)[C@@H]1CN(c2nccnc2CN)[C@@H]1C(C)C ZINC001120856140 989922925 /nfs/dbraw/zinc/92/29/25/989922925.db2.gz NSTTZSKULOZIPP-WCQYABFASA-N 0 1 248.374 2.052 20 0 BEADMN O=C(Nc1nc(-c2ccco2)n[nH]1)C1=CCCC1 ZINC001121144380 990025265 /nfs/dbraw/zinc/02/52/65/990025265.db2.gz INXPPMIVTYYXIY-UHFFFAOYSA-N 0 1 244.254 2.114 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1(C)CCCC1 ZINC001525013229 990026944 /nfs/dbraw/zinc/02/69/44/990026944.db2.gz NSMWYUSGTZZSRL-UHFFFAOYSA-N 0 1 222.288 2.455 20 0 BEADMN C[C@H](OC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1nnc[nH]1 ZINC001526292688 990120712 /nfs/dbraw/zinc/12/07/12/990120712.db2.gz JZGYTUNHVWNWHD-MMWGEVLESA-N 0 1 249.314 2.235 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H](N)c1ccccc1 ZINC001122319001 990340633 /nfs/dbraw/zinc/34/06/33/990340633.db2.gz BIVLRNCWVDJYNL-MRVWCRGKSA-N 0 1 244.338 2.157 20 0 BEADMN O=C(Oc1ccccc1)C12CCCN1CCC2 ZINC001530415643 990373468 /nfs/dbraw/zinc/37/34/68/990373468.db2.gz JFCGFPUCQWIRFL-UHFFFAOYSA-N 0 1 231.295 2.220 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C1CC1)C1CCC1 ZINC001122969290 990476314 /nfs/dbraw/zinc/47/63/14/990476314.db2.gz DGZYIQYCXMDYIR-GFCCVEGCSA-N 0 1 234.299 2.454 20 0 BEADMN C[C@@H](OC(=O)CC(C1CC1)C1CC1)c1nnc[nH]1 ZINC001123100774 990509652 /nfs/dbraw/zinc/50/96/52/990509652.db2.gz ZAQSXAJYGBDQJB-MRVPVSSYSA-N 0 1 249.314 2.235 20 0 BEADMN CCCCN(CC)C(=O)CCc1cc(C)[nH]n1 ZINC001540296128 990598455 /nfs/dbraw/zinc/59/84/55/990598455.db2.gz YPKCDPZRQWAOTO-UHFFFAOYSA-N 0 1 237.347 2.299 20 0 BEADMN CC(C)CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001540354760 990610442 /nfs/dbraw/zinc/61/04/42/990610442.db2.gz IXNJQXCQIBYASM-JTQLQIEISA-N 0 1 249.358 2.310 20 0 BEADMN CC(C)(F)C[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC001590833547 990687631 /nfs/dbraw/zinc/68/76/31/990687631.db2.gz HZNQSXYDGLYDQD-QMMMGPOBSA-N 0 1 231.292 2.212 20 0 BEADMN Cc1[nH]nc(CNC(=O)C(C)(C)C2CC2)c1C ZINC001123900746 990696408 /nfs/dbraw/zinc/69/64/08/990696408.db2.gz DCMWYHDNJHAUQX-UHFFFAOYSA-N 0 1 235.331 2.079 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1CCSCC1 ZINC001548590169 990769503 /nfs/dbraw/zinc/76/95/03/990769503.db2.gz PIMPBLQHNKSEAW-UHFFFAOYSA-N 0 1 240.328 2.018 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001548816879 990788950 /nfs/dbraw/zinc/78/89/50/990788950.db2.gz HOAIOGFGOYRZNN-ZWNOBZJWSA-N 0 1 235.331 2.079 20 0 BEADMN COc1cccc(CN2CC[C@](C)(CF)C2)n1 ZINC001137528489 990821580 /nfs/dbraw/zinc/82/15/80/990821580.db2.gz IGZZSCWLXMJPNP-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cccc(CN2CC[C@H]3OCC[C@H]32)c1F ZINC001137673975 990838386 /nfs/dbraw/zinc/83/83/86/990838386.db2.gz ZQRBXKWDYVLUGS-CHWSQXEVSA-N 0 1 235.302 2.497 20 0 BEADMN C=C/C=C\CC(=O)Nc1cc(N(C)C)ccn1 ZINC001137799771 990849891 /nfs/dbraw/zinc/84/98/91/990849891.db2.gz JVAPLHNSBXOQLF-WAYWQWQTSA-N 0 1 231.299 2.218 20 0 BEADMN CN(Cc1ccc(O)c2ccccc12)C1COC1 ZINC001138061387 990881193 /nfs/dbraw/zinc/88/11/93/990881193.db2.gz LIFGRRUQZBKYPC-UHFFFAOYSA-N 0 1 243.306 2.376 20 0 BEADMN c1csc(-c2n[nH]cc2CN2CCC2)c1 ZINC001138149876 990889047 /nfs/dbraw/zinc/88/90/47/990889047.db2.gz CNUCFJHRIXZEGB-UHFFFAOYSA-N 0 1 219.313 2.344 20 0 BEADMN Cc1cc(CCC(=O)NC23CCC(CC2)C3)n[nH]1 ZINC001138184025 990897859 /nfs/dbraw/zinc/89/78/59/990897859.db2.gz GMWFTNHTNBOKBS-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN CC1(C)CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001138290095 990908044 /nfs/dbraw/zinc/90/80/44/990908044.db2.gz SQMIAHMCFDZEKP-MRVPVSSYSA-N 0 1 239.294 2.247 20 0 BEADMN C[C@@]1(CF)CCN(Cc2cc(O)cc(O)c2)C1 ZINC001138324057 990915404 /nfs/dbraw/zinc/91/54/04/990915404.db2.gz HWXOOQAESQVNMP-ZDUSSCGKSA-N 0 1 239.290 2.279 20 0 BEADMN Cc1cc(CCC(=O)N2CCCCC[C@@H]2C)n[nH]1 ZINC001138369891 990924640 /nfs/dbraw/zinc/92/46/40/990924640.db2.gz YNJRLNDYFNADKR-LBPRGKRZSA-N 0 1 249.358 2.442 20 0 BEADMN C[C@H]1C[N@H+](Cc2ncccc2[O-])C2(CC2)C1 ZINC001138396387 990936104 /nfs/dbraw/zinc/93/61/04/990936104.db2.gz SPTHALFDGIGFFK-SNVBAGLBSA-N 0 1 218.300 2.162 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ncccc2[O-])C2(CC2)C1 ZINC001138396387 990936106 /nfs/dbraw/zinc/93/61/06/990936106.db2.gz SPTHALFDGIGFFK-SNVBAGLBSA-N 0 1 218.300 2.162 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@H]2CC)[nH]1 ZINC001558497573 990954690 /nfs/dbraw/zinc/95/46/90/990954690.db2.gz UPCQXMBWDORVMU-ZYHUDNBSSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001258066950 990960106 /nfs/dbraw/zinc/96/01/06/990960106.db2.gz XYOWLMCXMSOKGS-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CC(=O)N[C@@H](C)C1 ZINC001258066951 990961716 /nfs/dbraw/zinc/96/17/16/990961716.db2.gz XYOWLMCXMSOKGS-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN COC(C[N@@H+](C)Cc1cc(C)sc1C)OC ZINC001138571441 990973564 /nfs/dbraw/zinc/97/35/64/990973564.db2.gz YEMCYNXUSQWMJU-UHFFFAOYSA-N 0 1 243.372 2.416 20 0 BEADMN COC(CN(C)Cc1cc(C)sc1C)OC ZINC001138571441 990973574 /nfs/dbraw/zinc/97/35/74/990973574.db2.gz YEMCYNXUSQWMJU-UHFFFAOYSA-N 0 1 243.372 2.416 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC001138581110 990977011 /nfs/dbraw/zinc/97/70/11/990977011.db2.gz WECUNOYSPWGUEK-LLVKDONJSA-N 0 1 249.358 2.118 20 0 BEADMN CC(C)=CCC[C@H](C)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258079120 990979214 /nfs/dbraw/zinc/97/92/14/990979214.db2.gz KOLCKRTZAMXSAY-WCBMZHEXSA-N 0 1 242.344 2.020 20 0 BEADMN c1ncc(CNc2cccc3[nH]nnc32)s1 ZINC001308409746 990988308 /nfs/dbraw/zinc/98/83/08/990988308.db2.gz VLPRTBAETFUKJH-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN CCCn1ncc(CN2CC[C@@H](C(C)=O)C2)c1C ZINC001138642049 990993239 /nfs/dbraw/zinc/99/32/39/990993239.db2.gz IZOABNNXXLLXDD-CYBMUJFWSA-N 0 1 249.358 2.012 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC[C@@H](F)C2)n1 ZINC001308448106 990998054 /nfs/dbraw/zinc/99/80/54/990998054.db2.gz WYZBGGVMCYQXLP-RKDXNWHRSA-N 0 1 245.729 2.444 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCNC(=O)C1(C)C ZINC001258094999 991001842 /nfs/dbraw/zinc/00/18/42/991001842.db2.gz WPIRURDJOPFBDK-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN Nc1c(F)cccc1CNCc1ccnc(F)c1 ZINC001308481328 991005169 /nfs/dbraw/zinc/00/51/69/991005169.db2.gz QGMCQWCOULERDC-UHFFFAOYSA-N 0 1 249.264 2.232 20 0 BEADMN Cc1cn(C)nc1CNc1ccc2c[nH]nc2c1 ZINC001308500578 991009410 /nfs/dbraw/zinc/00/94/10/991009410.db2.gz DZWAQNMHHMEMJG-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN C[C@@H]1CN(Cc2cnc3[nH]ccc3c2)C[C@@H]1F ZINC001138736682 991022045 /nfs/dbraw/zinc/02/20/45/991022045.db2.gz AIGRPFSCYLDNLG-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN CCc1cccc(Nc2nccnc2CN)c1 ZINC001559053160 991028640 /nfs/dbraw/zinc/02/86/40/991028640.db2.gz ATNNMHFGZKJOKT-UHFFFAOYSA-N 0 1 228.299 2.241 20 0 BEADMN C[C@@H]1CCN(Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC001138776382 991037811 /nfs/dbraw/zinc/03/78/11/991037811.db2.gz SPRBENUDFGFBTM-OCCSQVGLSA-N 0 1 249.358 2.424 20 0 BEADMN CC[C@H]1CCN(Cc2ccn(CC)n2)C1 ZINC001308581899 991047074 /nfs/dbraw/zinc/04/70/74/991047074.db2.gz GHHYXEPINKUGEM-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN Fc1ncccc1CN1CCCC12CC2 ZINC001138785478 991048568 /nfs/dbraw/zinc/04/85/68/991048568.db2.gz WUKMUCGSLIDYAS-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN Cc1nnc(CN)n1C1C[C@@H](C)C[C@H](C)C1 ZINC001258164112 991054560 /nfs/dbraw/zinc/05/45/60/991054560.db2.gz PVJMIBCRFPNYOC-IUCAKERBSA-N 0 1 222.336 2.042 20 0 BEADMN Cc1cc(NCc2ccc3nc[nH]c3c2)ncn1 ZINC001559235901 991056335 /nfs/dbraw/zinc/05/63/35/991056335.db2.gz NRUYBNQPZOBZQV-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN OCCOc1ccc(CN2CC3(CCC3)C2)cc1 ZINC001138792123 991057631 /nfs/dbraw/zinc/05/76/31/991057631.db2.gz HNBCZAIVFWNMFE-UHFFFAOYSA-N 0 1 247.338 2.044 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCCCC(C)C ZINC001308615497 991059494 /nfs/dbraw/zinc/05/94/94/991059494.db2.gz OHPOEUWVQZQARJ-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN c1cc2cccc(CN3CCC[C@@H]4C[C@@H]43)n2n1 ZINC001138807325 991062442 /nfs/dbraw/zinc/06/24/42/991062442.db2.gz HAOPDJBUWROZQN-RISCZKNCSA-N 0 1 227.311 2.319 20 0 BEADMN CC(C)CSC[C@@H](C)CN1CCOCC1 ZINC001559319875 991069041 /nfs/dbraw/zinc/06/90/41/991069041.db2.gz ZRHKEMULNKYVEH-LBPRGKRZSA-N 0 1 231.405 2.344 20 0 BEADMN CC(C)COC1CN(C[C@H]2CCSC2)C1 ZINC001308644642 991076343 /nfs/dbraw/zinc/07/63/43/991076343.db2.gz ZSZMSJSXNLUSNT-LLVKDONJSA-N 0 1 229.389 2.096 20 0 BEADMN Cc1cc(CN2CC[C@H](C)C[C@H]2C)nn1C ZINC001138829611 991078192 /nfs/dbraw/zinc/07/81/92/991078192.db2.gz ZHGDXBJVIMRZBX-CMPLNLGQSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cc(CN2CCC[C@](C)(F)CC2)nn1C ZINC001138826673 991078758 /nfs/dbraw/zinc/07/87/58/991078758.db2.gz NRZDPIBTOXQPFB-ZDUSSCGKSA-N 0 1 239.338 2.443 20 0 BEADMN CCn1ccc(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC001308647965 991080038 /nfs/dbraw/zinc/08/00/38/991080038.db2.gz YZQGEAYWWQABHG-TXEJJXNPSA-N 0 1 221.348 2.381 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@@H](C)O[C@H](C)C1 ZINC001258184455 991083643 /nfs/dbraw/zinc/08/36/43/991083643.db2.gz BXFGXUSMFICJID-IJLUTSLNSA-N 0 1 223.316 2.320 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001258186751 991094756 /nfs/dbraw/zinc/09/47/56/991094756.db2.gz SFFNVQKICLXWPW-RTXFEEFZSA-N 0 1 221.300 2.074 20 0 BEADMN C[C@H](Cc1ccco1)N1CCCC(=O)CC1 ZINC001258188345 991099686 /nfs/dbraw/zinc/09/96/86/991099686.db2.gz JYRNOBHKBGVGGU-LLVKDONJSA-N 0 1 221.300 2.266 20 0 BEADMN CC[C@@H]1COCCN1[C@H](C)Cc1ccco1 ZINC001258194868 991103883 /nfs/dbraw/zinc/10/38/83/991103883.db2.gz LSNIWXHCYCKMDX-VXGBXAGGSA-N 0 1 223.316 2.321 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H]3CCC[C@@H]3C2)n1 ZINC001138936457 991105153 /nfs/dbraw/zinc/10/51/53/991105153.db2.gz JIVSNIKIXCVOEJ-VXGBXAGGSA-N 0 1 219.332 2.340 20 0 BEADMN CC[C@@H]1COCCN1[C@@H](C)Cc1ccco1 ZINC001258194866 991105366 /nfs/dbraw/zinc/10/53/66/991105366.db2.gz LSNIWXHCYCKMDX-NWDGAFQWSA-N 0 1 223.316 2.321 20 0 BEADMN C[C@H](Cc1ccco1)N(C)Cc1cnccn1 ZINC001258193108 991105929 /nfs/dbraw/zinc/10/59/29/991105929.db2.gz UAIFGUWZAGLXCK-LLVKDONJSA-N 0 1 231.299 2.133 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCOCC12CCC2 ZINC001258195031 991110847 /nfs/dbraw/zinc/11/08/47/991110847.db2.gz NBGGCUBALDYPIO-LBPRGKRZSA-N 0 1 235.327 2.466 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccco1 ZINC001258197830 991112298 /nfs/dbraw/zinc/11/22/98/991112298.db2.gz SHBGIAOCJDSGIP-GWCFXTLKSA-N 0 1 221.300 2.264 20 0 BEADMN Fc1ccccc1CSCCc1c[nH]nn1 ZINC001559480814 991121697 /nfs/dbraw/zinc/12/16/97/991121697.db2.gz QTYNJBSSNPWVEE-UHFFFAOYSA-N 0 1 237.303 2.420 20 0 BEADMN CN(C)Cc1ccc(C(F)(F)F)cn1 ZINC001139012981 991125355 /nfs/dbraw/zinc/12/53/55/991125355.db2.gz XSKYFRMSYURJPJ-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN CCCn1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001139039782 991129291 /nfs/dbraw/zinc/12/92/91/991129291.db2.gz YGDDOVZGSLBFMY-AVGNSLFASA-N 0 1 237.322 2.083 20 0 BEADMN O[C@@H]1CN(Cc2cc3ccccc3o2)CC[C@@H]1F ZINC001139062511 991136136 /nfs/dbraw/zinc/13/61/36/991136136.db2.gz ZIGFFFPOZMKDLO-QWHCGFSZSA-N 0 1 249.285 2.338 20 0 BEADMN Cc1n[nH]c(C)c1CN1CCCC[C@H](F)C1 ZINC001139094497 991139295 /nfs/dbraw/zinc/13/92/95/991139295.db2.gz JHJGUKMCEXQYMP-NSHDSACASA-N 0 1 225.311 2.351 20 0 BEADMN CSCC[C@@H](C)N1CC2(C1)CCCCO2 ZINC001258216090 991145223 /nfs/dbraw/zinc/14/52/23/991145223.db2.gz UIPNVIFRYFOSCT-LLVKDONJSA-N 0 1 229.389 2.383 20 0 BEADMN COc1ccc(CN2C3CCC2CC3)nc1OC ZINC001139105809 991146651 /nfs/dbraw/zinc/14/66/51/991146651.db2.gz BRTXFHXGYUZTJU-UHFFFAOYSA-N 0 1 248.326 2.226 20 0 BEADMN COc1ccc(CN2CCCCC2)nc1OC ZINC001139099889 991150181 /nfs/dbraw/zinc/15/01/81/991150181.db2.gz NEJGAEGXUZDHNO-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN COc1cc(O)ccc1CN1CCC(F)CC1 ZINC001139139252 991160759 /nfs/dbraw/zinc/16/07/59/991160759.db2.gz XCQUTOXSTPEXDK-UHFFFAOYSA-N 0 1 239.290 2.335 20 0 BEADMN CN(Cc1cccc2c1ccn2C)C1(C)COC1 ZINC001139159718 991171780 /nfs/dbraw/zinc/17/17/80/991171780.db2.gz OWUQVMKULBKOGU-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN NCc1nccnc1NC1CCCCCCC1 ZINC001258235834 991171970 /nfs/dbraw/zinc/17/19/70/991171970.db2.gz CVTSUYVAXWIIDI-UHFFFAOYSA-N 0 1 234.347 2.460 20 0 BEADMN CCCN(Cc1nnc(C)o1)C(C)(C)C ZINC001559610843 991186435 /nfs/dbraw/zinc/18/64/35/991186435.db2.gz COHDDJHWAPSKLL-UHFFFAOYSA-N 0 1 211.309 2.389 20 0 BEADMN CCN1CCN(C2CCCCCCC2)CC1=O ZINC001258240927 991186116 /nfs/dbraw/zinc/18/61/16/991186116.db2.gz UVOSVYCQPCWFQR-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CCN1CCC[C@H](NCC(F)(F)CC)C1 ZINC001308865812 991186728 /nfs/dbraw/zinc/18/67/28/991186728.db2.gz RKDQCFCSFWCACA-JTQLQIEISA-N 0 1 220.307 2.106 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2ccc3nonc3c2)C1 ZINC001139219193 991194058 /nfs/dbraw/zinc/19/40/58/991194058.db2.gz UURYXQKZTOKGLW-ONGXEEELSA-N 0 1 249.289 2.403 20 0 BEADMN CC1(C)CCC[C@@H](N2CCn3nncc3C2)C1 ZINC001258294075 991232897 /nfs/dbraw/zinc/23/28/97/991232897.db2.gz SCAGKYVEWSJFOL-LLVKDONJSA-N 0 1 234.347 2.063 20 0 BEADMN CC(C)CCc1nnc(C23CCN(CC2)CC3)o1 ZINC001258301934 991237154 /nfs/dbraw/zinc/23/71/54/991237154.db2.gz PMVGZUYYPYRFRN-UHFFFAOYSA-N 0 1 249.358 2.396 20 0 BEADMN CC[C@H]1CCN(Cc2nc(C3CC3)nn2C)[C@H]1C ZINC001559768819 991246417 /nfs/dbraw/zinc/24/64/17/991246417.db2.gz IUDBLQVGPRQSAJ-QWRGUYRKSA-N 0 1 248.374 2.313 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(C3CC3)nn2C)[C@@H]1C ZINC001559768817 991248594 /nfs/dbraw/zinc/24/85/94/991248594.db2.gz IUDBLQVGPRQSAJ-GHMZBOCLSA-N 0 1 248.374 2.313 20 0 BEADMN FC[C@H]1[C@@H]2CN(Cc3cccc(Cl)n3)C[C@H]12 ZINC001139552148 991263350 /nfs/dbraw/zinc/26/33/50/991263350.db2.gz NQKHFPORRDDYCA-RTCCRHLQSA-N 0 1 240.709 2.382 20 0 BEADMN C[C@@H]1CCN(Cc2cn3c(cccc3F)n2)C1 ZINC001139571332 991276567 /nfs/dbraw/zinc/27/65/67/991276567.db2.gz VIBKUKLXOPSEPU-SNVBAGLBSA-N 0 1 233.290 2.315 20 0 BEADMN CSC(C)(C)C[C@H](C)N1CCN(C#N)CC1 ZINC001258347358 991276475 /nfs/dbraw/zinc/27/64/75/991276475.db2.gz SPQLXFUFODHWMQ-NSHDSACASA-N 0 1 241.404 2.005 20 0 BEADMN CSC(C)(C)C[C@@H](C)N1CCN(C#N)CC1 ZINC001258347357 991281192 /nfs/dbraw/zinc/28/11/92/991281192.db2.gz SPQLXFUFODHWMQ-LLVKDONJSA-N 0 1 241.404 2.005 20 0 BEADMN COc1ccncc1CN1CCC[C@@H]2C[C@@H]21 ZINC001139609800 991295168 /nfs/dbraw/zinc/29/51/68/991295168.db2.gz UJSZUEOMPVXUGR-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN Fc1ccccc1[C@H]1CCN(CC2=NOCC2)C1 ZINC001559859538 991298076 /nfs/dbraw/zinc/29/80/76/991298076.db2.gz GBRDFWLDJXKJGM-NSHDSACASA-N 0 1 248.301 2.391 20 0 BEADMN COCCN(C)Cc1c(C)nc2cc(C)ccn21 ZINC001139674609 991312828 /nfs/dbraw/zinc/31/28/28/991312828.db2.gz XRKAJPAEQHDUCC-UHFFFAOYSA-N 0 1 247.342 2.029 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cn3ccncc3n2)C1 ZINC001139699440 991322547 /nfs/dbraw/zinc/32/25/47/991322547.db2.gz YUFOHNRUPGFHQR-VXGBXAGGSA-N 0 1 244.342 2.207 20 0 BEADMN C[C@H]1CN(Cc2cn3ccncc3n2)C2(CC2)C1 ZINC001139699559 991323725 /nfs/dbraw/zinc/32/37/25/991323725.db2.gz DRPJJOPJGPHKQY-LLVKDONJSA-N 0 1 242.326 2.104 20 0 BEADMN C[C@@H]1CN(Cc2cn3ccncc3n2)C2(CC2)C1 ZINC001139699560 991325281 /nfs/dbraw/zinc/32/52/81/991325281.db2.gz DRPJJOPJGPHKQY-NSHDSACASA-N 0 1 242.326 2.104 20 0 BEADMN C[C@@H]1CCCCN1Cc1cnc2c(c1)OCCO2 ZINC001139730702 991345306 /nfs/dbraw/zinc/34/53/06/991345306.db2.gz IYBCEBHFMSNLAF-LLVKDONJSA-N 0 1 248.326 2.227 20 0 BEADMN CCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001559975613 991345805 /nfs/dbraw/zinc/34/58/05/991345805.db2.gz UOXDYQHGJRXJBO-NXEZZACHSA-N 0 1 213.321 2.201 20 0 BEADMN CC[C@H](C)[C@H](C)N1CCn2nccc2C1 ZINC001560025971 991363269 /nfs/dbraw/zinc/36/32/69/991363269.db2.gz MCLPRHOIZQCBPK-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1cnc(CN2CCC[C@H](O)[C@@H](C)C2)s1 ZINC001139808971 991376398 /nfs/dbraw/zinc/37/63/98/991376398.db2.gz IFWLYKUZAXPLNM-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@]1(CF)CCN(Cc2ccnc(F)c2)C1 ZINC001139830990 991386340 /nfs/dbraw/zinc/38/63/40/991386340.db2.gz NZYIKHZREYKVOJ-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@H](CC1CC1)NCc1nccnc1Cl ZINC001258447552 991390342 /nfs/dbraw/zinc/39/03/42/991390342.db2.gz SWYQDMHXKMTHIZ-MRVPVSSYSA-N 0 1 225.723 2.408 20 0 BEADMN COCCN(Cc1ccnc(F)c1)C(C)C ZINC001139833839 991390842 /nfs/dbraw/zinc/39/08/42/991390842.db2.gz RZSMFBIHAUCACG-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCN(CC(C)(F)F)CC1 ZINC001560173874 991405492 /nfs/dbraw/zinc/40/54/92/991405492.db2.gz DOMGGSVETXJGHA-NEPJUHHUSA-N 0 1 246.345 2.305 20 0 BEADMN CC(=O)N1CCCC[C@H]1CN(C)C/C=C/Cl ZINC001316800709 991415419 /nfs/dbraw/zinc/41/54/19/991415419.db2.gz HQFXACOEATZBDZ-PZBABLGHSA-N 0 1 244.766 2.072 20 0 BEADMN CCCC(=O)N[C@H]1CCN(C[C@H](F)CC)[C@@H]1C ZINC001316770744 991415859 /nfs/dbraw/zinc/41/58/59/991415859.db2.gz OPFLXOVWVWHNBT-UTUOFQBUSA-N 0 1 244.354 2.114 20 0 BEADMN COc1ccc(CN2CCCC23CC3)c(OC)n1 ZINC001139919300 991420194 /nfs/dbraw/zinc/42/01/94/991420194.db2.gz FBTNUUNJQYAHPM-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1ccc(CN2CCC[C@]3(CCO3)C2)cn1 ZINC001139932797 991422341 /nfs/dbraw/zinc/42/23/41/991422341.db2.gz PVFVUFGONIVCEU-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN C[C@H](CC1CC1)N(C)Cc1nnc2ccccn21 ZINC001258466363 991425571 /nfs/dbraw/zinc/42/55/71/991425571.db2.gz WNOUWFXAZXKFIX-LLVKDONJSA-N 0 1 244.342 2.350 20 0 BEADMN CN(CCN1CC(C)(C)C1)C(=O)OC(C)(C)C ZINC001202988089 991432313 /nfs/dbraw/zinc/43/23/13/991432313.db2.gz FHHVOMQXEJHYQS-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1ccc(F)c(CN[C@@H](CO)C(C)C)c1F ZINC001560242222 991436640 /nfs/dbraw/zinc/43/66/40/991436640.db2.gz DJCHTIGBQXKLIS-LBPRGKRZSA-N 0 1 243.297 2.380 20 0 BEADMN FC1(F)CCCN(Cc2cccnn2)CC1 ZINC001139970304 991440492 /nfs/dbraw/zinc/44/04/92/991440492.db2.gz RSDWQZUUIXJCLY-UHFFFAOYSA-N 0 1 227.258 2.098 20 0 BEADMN CN(CCc1ccccc1F)Cc1cccnn1 ZINC001139974294 991447356 /nfs/dbraw/zinc/44/73/56/991447356.db2.gz ZHQHZINPPDSERL-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCOC(=O)CC[C@H](C)N1C[C@@H](C)[C@@H](F)C1 ZINC001258489074 991459181 /nfs/dbraw/zinc/45/91/81/991459181.db2.gz LXZFFLGWKZGNPY-VWYCJHECSA-N 0 1 231.311 2.008 20 0 BEADMN CCOC(=O)CC[C@H](C)N1CCC[C@@H](F)C1 ZINC001258494638 991462256 /nfs/dbraw/zinc/46/22/56/991462256.db2.gz KFRTZVVPKZLCBH-WDEREUQCSA-N 0 1 231.311 2.152 20 0 BEADMN Cn1ccc(CNCc2cc3cnccc3o2)c1 ZINC001560369321 991462580 /nfs/dbraw/zinc/46/25/80/991462580.db2.gz TWDSPTHSFAYBIS-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN COC[C@@H]1CCN1Cc1cc2ccccc2cn1 ZINC001140002848 991473037 /nfs/dbraw/zinc/47/30/37/991473037.db2.gz HFRPLNKZLFOVJC-HNNXBMFYSA-N 0 1 242.322 2.456 20 0 BEADMN CSc1nccc(CN(C)C2CC(C)C2)n1 ZINC001140032783 991489959 /nfs/dbraw/zinc/48/99/59/991489959.db2.gz HSMUJGYUOSQFEZ-UHFFFAOYSA-N 0 1 237.372 2.429 20 0 BEADMN CSc1nccc(CN2CCC(C)(C)C2)n1 ZINC001140037857 991494769 /nfs/dbraw/zinc/49/47/69/991494769.db2.gz FUPREYRBHAFJOA-UHFFFAOYSA-N 0 1 237.372 2.430 20 0 BEADMN CCCN(CCOC)Cc1cc(O)ccc1F ZINC001140049801 991498014 /nfs/dbraw/zinc/49/80/14/991498014.db2.gz CUNSLPMTQFHLKL-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN COCCN(Cc1cc(O)ccc1F)C(C)C ZINC001140048753 991499459 /nfs/dbraw/zinc/49/94/59/991499459.db2.gz NWVHGWAZGTVGBR-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN CCn1ccc(CN[C@@H]2CCC[C@]23CCCO3)n1 ZINC001560569928 991503209 /nfs/dbraw/zinc/50/32/09/991503209.db2.gz OQBDYVWUCUEZCF-KGLIPLIRSA-N 0 1 249.358 2.094 20 0 BEADMN Cn1cc(Cl)c(CNC[C@@H]2C=CCC2)n1 ZINC001560570946 991504778 /nfs/dbraw/zinc/50/47/78/991504778.db2.gz AMWSLGFRLPEVOA-SECBINFHSA-N 0 1 225.723 2.129 20 0 BEADMN CN(Cc1cc(O)ccc1F)CC1CC1 ZINC001140050639 991505060 /nfs/dbraw/zinc/50/50/60/991505060.db2.gz NTCVDKTZJLAGHO-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN COc1ccc2n[nH]c(CN3CC[C@H]3C)c2c1 ZINC001140064875 991515063 /nfs/dbraw/zinc/51/50/63/991515063.db2.gz QKKDCUQLPUZVJN-SECBINFHSA-N 0 1 231.299 2.166 20 0 BEADMN CCc1coc(CN[C@H](C)Cc2cccnc2)n1 ZINC001258609434 991523349 /nfs/dbraw/zinc/52/33/49/991523349.db2.gz NRDDYWKYUJBJIC-LLVKDONJSA-N 0 1 245.326 2.353 20 0 BEADMN CCc1coc(CN[C@@H](C)Cc2cccnc2)n1 ZINC001258609435 991527490 /nfs/dbraw/zinc/52/74/90/991527490.db2.gz NRDDYWKYUJBJIC-NSHDSACASA-N 0 1 245.326 2.353 20 0 BEADMN c1ccc2oc(CN[C@@H]3C[C@@H]4CC[C@H]3O4)nc2c1 ZINC001560625568 991527937 /nfs/dbraw/zinc/52/79/37/991527937.db2.gz KWXZOMVQPAJSCV-UFGOTCBOSA-N 0 1 244.294 2.237 20 0 BEADMN Fc1cccc(CN2C[C@H]3[C@H](CC3(F)F)C2)n1 ZINC001140131812 991531495 /nfs/dbraw/zinc/53/14/95/991531495.db2.gz UYGYXBFJFDZLJA-SCZZXKLOSA-N 0 1 242.244 2.308 20 0 BEADMN COCCN(Cc1cccc(F)n1)C(C)C ZINC001140133598 991534470 /nfs/dbraw/zinc/53/44/70/991534470.db2.gz QHHULHWXGYUMBH-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN C[C@@]1(CF)CCN(Cc2cccc(F)n2)C1 ZINC001140131242 991534511 /nfs/dbraw/zinc/53/45/11/991534511.db2.gz JACYFNBNMBHWQG-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cccc(F)n3)C[C@H]12 ZINC001140135232 991538830 /nfs/dbraw/zinc/53/88/30/991538830.db2.gz YJZFTYNNPOIMCX-PWSUYJOCSA-N 0 1 248.301 2.022 20 0 BEADMN Fc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)n1 ZINC001140134478 991540348 /nfs/dbraw/zinc/54/03/48/991540348.db2.gz IZLMTOICFPKSMQ-LSJOCFKGSA-N 0 1 224.254 2.153 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001258620100 991544700 /nfs/dbraw/zinc/54/47/00/991544700.db2.gz CZYFZSAZPHMJEH-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCCC(=O)[C@H](C)C1 ZINC001258622105 991549328 /nfs/dbraw/zinc/54/93/28/991549328.db2.gz HDNRFPIMRUHMER-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001258623907 991556936 /nfs/dbraw/zinc/55/69/36/991556936.db2.gz JWAAXIYZPORGIF-PYJNHQTQSA-N 0 1 234.318 2.302 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCn2cccc2C1 ZINC001258628584 991563419 /nfs/dbraw/zinc/56/34/19/991563419.db2.gz REUMINVALLBVTD-ZDUSSCGKSA-N 0 1 241.338 2.330 20 0 BEADMN CC[C@H]1COCCN1[C@H](C)Cc1cccnc1 ZINC001258630760 991570770 /nfs/dbraw/zinc/57/07/70/991570770.db2.gz YFSOWONOCIPOOF-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC001317723041 991578891 /nfs/dbraw/zinc/57/88/91/991578891.db2.gz AYHDJNYACWEERH-VXGBXAGGSA-N 0 1 235.331 2.390 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CCCCC12CC2 ZINC001140276980 991584606 /nfs/dbraw/zinc/58/46/06/991584606.db2.gz OQCJVZAWYGRGKN-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN C[N@@H+](Cc1ccncc1[O-])CC(C)(C)C ZINC001140277584 991594353 /nfs/dbraw/zinc/59/43/53/991594353.db2.gz GJHWEFIOHPYBQB-UHFFFAOYSA-N 0 1 208.305 2.265 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140281676 991603528 /nfs/dbraw/zinc/60/35/28/991603528.db2.gz HGZXBVDFJISPQJ-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC(F)(F)C3)c2c1 ZINC001140327941 991607083 /nfs/dbraw/zinc/60/70/83/991607083.db2.gz MZTYITYFANYKAC-UHFFFAOYSA-N 0 1 237.253 2.322 20 0 BEADMN Cc1nnc(SCc2ccc(N(C)C)cc2)[nH]1 ZINC001318006278 991608491 /nfs/dbraw/zinc/60/84/91/991608491.db2.gz WVKJGCGURVAMPH-UHFFFAOYSA-N 0 1 248.355 2.471 20 0 BEADMN Cc1ccc2[nH]nc(CN3CC[C@H]3C)c2c1 ZINC001140329430 991609742 /nfs/dbraw/zinc/60/97/42/991609742.db2.gz WNHGHODCFKSVLH-SNVBAGLBSA-N 0 1 215.300 2.466 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC[C@H]3C)c2c1 ZINC001140329430 991609748 /nfs/dbraw/zinc/60/97/48/991609748.db2.gz WNHGHODCFKSVLH-SNVBAGLBSA-N 0 1 215.300 2.466 20 0 BEADMN COC1(C)CN(Cc2[nH]nc3ccc(C)cc32)C1 ZINC001140329199 991610690 /nfs/dbraw/zinc/61/06/90/991610690.db2.gz RMJBLPRSQGRFSC-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN OC[C@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC001560833490 991616174 /nfs/dbraw/zinc/61/61/74/991616174.db2.gz LMSUAHYBSTUOKE-HTQZYQBOSA-N 0 1 246.763 2.047 20 0 BEADMN CC(C)CCN1CC(NC(=O)[C@H](C)C(C)C)C1 ZINC001318066909 991617529 /nfs/dbraw/zinc/61/75/29/991617529.db2.gz IBPBXFWXQASJLJ-GFCCVEGCSA-N 0 1 240.391 2.125 20 0 BEADMN CCCn1cncc1CN1C[C@H](C)[C@H]1C ZINC001560857262 991624905 /nfs/dbraw/zinc/62/49/05/991624905.db2.gz YYFUMUGNYOODFN-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1ccncn1 ZINC001140350761 991626616 /nfs/dbraw/zinc/62/66/16/991626616.db2.gz QMCGSILRFUBJRH-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN F[C@@H]1CN(Cc2ccc3n[nH]cc3c2)C[C@@H]2C[C@@H]21 ZINC001140384773 991630079 /nfs/dbraw/zinc/63/00/79/991630079.db2.gz NDLIFLLBKMIRIL-RWMBFGLXSA-N 0 1 245.301 2.353 20 0 BEADMN F[C@@H]1CCCN(Cc2ccc3n[nH]cc3c2)C1 ZINC001140387801 991630828 /nfs/dbraw/zinc/63/08/28/991630828.db2.gz UHCPUFNVABOJSY-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1nc(CO)cs1 ZINC001560888774 991637806 /nfs/dbraw/zinc/63/78/06/991637806.db2.gz IAUMLLQBODVXRG-VIFPVBQESA-N 0 1 240.372 2.256 20 0 BEADMN Cc1[nH]c(C[N@@H+](C)CC2CC2)c(C)c1C(=O)[O-] ZINC001140494165 991655331 /nfs/dbraw/zinc/65/53/31/991655331.db2.gz YIWUTBFQXWTXMP-UHFFFAOYSA-N 0 1 236.315 2.172 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC001591094663 991675788 /nfs/dbraw/zinc/67/57/88/991675788.db2.gz PCWQLTPPASJNJV-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN CCCC[C@@H](CCC)[NH2+]CC[P@](=O)([O-])O ZINC001258755272 991697042 /nfs/dbraw/zinc/69/70/42/991697042.db2.gz JLLJQRJPEKQMRD-SNVBAGLBSA-N 0 1 237.280 2.113 20 0 BEADMN Cc1c[nH]c(=O)c(CNCc2ncccc2C)c1 ZINC001561036079 991697163 /nfs/dbraw/zinc/69/71/63/991697163.db2.gz QJYZBCJQWTVPLC-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN CC[C@H](C[C@@H](C)CC)n1c(C)nnc1CN ZINC001258788737 991770459 /nfs/dbraw/zinc/77/04/59/991770459.db2.gz RVTDONZVCBAGTA-GXSJLCMTSA-N 0 1 224.352 2.433 20 0 BEADMN CC[C@@H](C)C[C@H](CC)N(C)CC(=O)OC ZINC001258796441 991785733 /nfs/dbraw/zinc/78/57/33/991785733.db2.gz BYRTYLGFUOYCJY-MNOVXSKESA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)C1CCC(N2CC(=O)N[C@@H](C)C2)CC1 ZINC001258802963 991804363 /nfs/dbraw/zinc/80/43/63/991804363.db2.gz HQYNJPAJGNAEND-HIFPTAJRSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)CCc1cc(C)[nH]n1 ZINC001565810774 991807750 /nfs/dbraw/zinc/80/77/50/991807750.db2.gz TUAYANZKBLVELF-GXSJLCMTSA-N 0 1 237.347 2.202 20 0 BEADMN COC(=O)CN(CC(C)C)[C@H]1C=CCCC1 ZINC001319254964 991825059 /nfs/dbraw/zinc/82/50/59/991825059.db2.gz GWIZQFVOCJIBRH-LBPRGKRZSA-N 0 1 225.332 2.226 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)n[nH]1 ZINC001319316854 991837977 /nfs/dbraw/zinc/83/79/77/991837977.db2.gz XXVFQNSKNVRJDU-CYBMUJFWSA-N 0 1 230.315 2.383 20 0 BEADMN C[C@@H]1CCC[C@@H](N2CCc3cnn(C)c3C2)C1 ZINC001258826214 991849168 /nfs/dbraw/zinc/84/91/68/991849168.db2.gz BWORIZSWAIFWRO-DGCLKSJQSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1cc2cn[nH]c2c(C(=O)NOC(C)(C)C)c1 ZINC001319591387 991899559 /nfs/dbraw/zinc/89/95/59/991899559.db2.gz LQYXNTBNLCKBOZ-UHFFFAOYSA-N 0 1 247.298 2.331 20 0 BEADMN C[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CCC1 ZINC001598456466 991940805 /nfs/dbraw/zinc/94/08/05/991940805.db2.gz VQZAKABRMUWRAJ-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CCC(=O)N1CCC[C@@H](N(C)C[C@@H](F)CC)C1 ZINC001567185043 991956647 /nfs/dbraw/zinc/95/66/47/991956647.db2.gz OQUPOPZLQSPUOM-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1c(C(=O)N(C)C2CCC2)ccc2cncn21 ZINC001319872392 992013221 /nfs/dbraw/zinc/01/32/21/992013221.db2.gz VTAMUZQQYXQPGN-UHFFFAOYSA-N 0 1 243.310 2.267 20 0 BEADMN C[C@H]1OCC[N@@H+](CCc2ccc(F)cc2)[C@@H]1C ZINC001319911962 992028618 /nfs/dbraw/zinc/02/86/18/992028618.db2.gz AMJKTIVDCWMXIP-VXGBXAGGSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H]1OCCN(CCc2ccc(F)cc2)[C@@H]1C ZINC001319911962 992028625 /nfs/dbraw/zinc/02/86/25/992028625.db2.gz AMJKTIVDCWMXIP-VXGBXAGGSA-N 0 1 237.318 2.477 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)COC3)n[nH]1 ZINC001319933396 992032185 /nfs/dbraw/zinc/03/21/85/992032185.db2.gz FMMXYCSSARIKDJ-UHFFFAOYSA-N 0 1 229.283 2.360 20 0 BEADMN CCCN(C(C)=O)[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001567677783 992070011 /nfs/dbraw/zinc/07/00/11/992070011.db2.gz KWVAGHLEILHEDT-CHWSQXEVSA-N 0 1 244.354 2.067 20 0 BEADMN C[N@@H+](CCCCOC(C)(C)C)C(C)(C)C(=O)[O-] ZINC001598476432 992085556 /nfs/dbraw/zinc/08/55/56/992085556.db2.gz YSBYUXFDRACOSW-UHFFFAOYSA-N 0 1 245.363 2.377 20 0 BEADMN CC/C=C/CCN(CC(=O)OC)CC(C)C ZINC001320279127 992152480 /nfs/dbraw/zinc/15/24/80/992152480.db2.gz HLPKBDUMNGAJCL-VOTSOKGWSA-N 0 1 227.348 2.474 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ncc(C)c(C)n2)[nH]n1 ZINC001320359804 992182699 /nfs/dbraw/zinc/18/26/99/992182699.db2.gz MLAIOHJBFQDHSB-SECBINFHSA-N 0 1 245.330 2.168 20 0 BEADMN CC(C)C[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001591287160 992228792 /nfs/dbraw/zinc/22/87/92/992228792.db2.gz JZKZXFMJFPGVMK-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H]2C2CC2)[nH]1 ZINC001261269477 992240032 /nfs/dbraw/zinc/24/00/32/992240032.db2.gz PFMZHMWILLADAZ-LLVKDONJSA-N 0 1 233.315 2.158 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CC[C@]12CCOC2 ZINC001261387100 992292064 /nfs/dbraw/zinc/29/20/64/992292064.db2.gz QWVGTCVPDPXGJO-DTWKUNHWSA-N 0 1 236.142 2.045 20 0 BEADMN CCn1ccc(CN(C)Cc2cc(C)[nH]n2)c1 ZINC001320723832 992333219 /nfs/dbraw/zinc/33/32/19/992333219.db2.gz YGCLCOLZSLBOHR-UHFFFAOYSA-N 0 1 232.331 2.172 20 0 BEADMN CC(C)c1nc(NC(=O)CC2(C)CC2)n[nH]1 ZINC001320885122 992390978 /nfs/dbraw/zinc/39/09/78/992390978.db2.gz YWIWOSHABARDQW-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CC2(C)CC2)n1 ZINC001320885122 992390988 /nfs/dbraw/zinc/39/09/88/992390988.db2.gz YWIWOSHABARDQW-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CCC(=CC(=O)N(C)C1CN(C(C)C)C1)CC ZINC001569487971 992401637 /nfs/dbraw/zinc/40/16/37/992401637.db2.gz VDYIZEXXMBTBJR-UHFFFAOYSA-N 0 1 238.375 2.284 20 0 BEADMN O=C(OCc1nnc[nH]1)[C@H]1CCCC[C@H]1C1CC1 ZINC001261589275 992414032 /nfs/dbraw/zinc/41/40/32/992414032.db2.gz ABRIJARVSUDBBD-QWRGUYRKSA-N 0 1 249.314 2.064 20 0 BEADMN C/C(=C/Cl)CSCc1nnc[nH]1 ZINC001261597269 992419486 /nfs/dbraw/zinc/41/94/86/992419486.db2.gz SVDNUOODWVTDHH-KXFIGUGUSA-N 0 1 203.698 2.181 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C(C)(C)C(F)F)n1 ZINC001321194197 992482076 /nfs/dbraw/zinc/48/20/76/992482076.db2.gz TVXANTHGMVTQEJ-UHFFFAOYSA-N 0 1 246.261 2.158 20 0 BEADMN CC(C)c1nc(NC(=O)C(C)(C)C(F)F)n[nH]1 ZINC001321194197 992482084 /nfs/dbraw/zinc/48/20/84/992482084.db2.gz TVXANTHGMVTQEJ-UHFFFAOYSA-N 0 1 246.261 2.158 20 0 BEADMN CCC(C)(CC)C(=O)NC/C=C\CNCCF ZINC001321402662 992532509 /nfs/dbraw/zinc/53/25/09/992532509.db2.gz IURWLAAVCPVWOJ-SREVYHEPSA-N 0 1 244.354 2.044 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])[nH]1)C[C@@H]1CC1(C)C ZINC001598509323 992549198 /nfs/dbraw/zinc/54/91/98/992549198.db2.gz QXYQXYXOGUNSFS-VIFPVBQESA-N 0 1 236.315 2.191 20 0 BEADMN C1CC(c2noc(C34CCCN3CCC4)n2)C1 ZINC001261888501 992563061 /nfs/dbraw/zinc/56/30/61/992563061.db2.gz SBAPSVSGUGBQOH-UHFFFAOYSA-N 0 1 233.315 2.422 20 0 BEADMN C[C@@H]1CCc2[n-]n(CC3CC3)c(=O)c2C1 ZINC001261890638 992564767 /nfs/dbraw/zinc/56/47/67/992564767.db2.gz KESXTYJRYSSNTA-PSASIEDQSA-N 0 1 206.289 2.031 20 0 BEADMN C[C@@H]1CCc2[nH]n(CC3CC3)c(=O)c2C1 ZINC001261890638 992564776 /nfs/dbraw/zinc/56/47/76/992564776.db2.gz KESXTYJRYSSNTA-PSASIEDQSA-N 0 1 206.289 2.031 20 0 BEADMN CC(C)[N@H+]1CCCC[C@@H]1CSCCC(=O)[O-] ZINC001573546842 992633137 /nfs/dbraw/zinc/63/31/37/992633137.db2.gz DMCJEEIKCVKZPU-LLVKDONJSA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCSC(CC)(CC)C1 ZINC001573767832 992706305 /nfs/dbraw/zinc/70/63/05/992706305.db2.gz GSIHKXGDQZKMHZ-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC001262161970 992720416 /nfs/dbraw/zinc/72/04/16/992720416.db2.gz ZMHJLRBIIBAYTB-YUMQZZPRSA-N 0 1 241.253 2.370 20 0 BEADMN CCc1ccc2c(c1)C[N@@H+]([C@H](CC)C(=O)[O-])CC2 ZINC001573831826 992731189 /nfs/dbraw/zinc/73/11/89/992731189.db2.gz BIBKXWXFFBYSAO-CQSZACIVSA-N 0 1 247.338 2.470 20 0 BEADMN CNc1ccccc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC001573910678 992763961 /nfs/dbraw/zinc/76/39/61/992763961.db2.gz ROFQPAVAYYQCFO-JTQLQIEISA-N 0 1 248.326 2.166 20 0 BEADMN CC(C)(CF)NCc1cnn(C2CCC2)c1 ZINC001262192774 992784994 /nfs/dbraw/zinc/78/49/94/992784994.db2.gz QDDKZBTUSBHNTL-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN C[N@H+](CCCC(=O)[O-])Cc1csc(Cl)n1 ZINC001574008193 992793031 /nfs/dbraw/zinc/79/30/31/992793031.db2.gz ZFTSKYCSUYKYJI-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1csc(Cl)n1 ZINC001574008193 992793039 /nfs/dbraw/zinc/79/30/39/992793039.db2.gz ZFTSKYCSUYKYJI-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2cnn(C)n2)cc1 ZINC001262201683 992795287 /nfs/dbraw/zinc/79/52/87/992795287.db2.gz CLKTUKLVAGCWMQ-GFCCVEGCSA-N 0 1 244.342 2.017 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](F)C2)c2ncnn21 ZINC001262205150 992800196 /nfs/dbraw/zinc/80/01/96/992800196.db2.gz LSDQHXXUIGLMIP-DBIOUOCHSA-N 0 1 238.310 2.154 20 0 BEADMN Cc1cccc(C[C@]2(C)CCC[N@H+]2CC(=O)[O-])c1 ZINC001574164203 992813092 /nfs/dbraw/zinc/81/30/92/992813092.db2.gz KMCVOKXVRKPCJS-HNNXBMFYSA-N 0 1 247.338 2.477 20 0 BEADMN Cc1cccc(C[C@@]2(C)CCC[N@H+]2CC(=O)[O-])c1 ZINC001574164204 992813257 /nfs/dbraw/zinc/81/32/57/992813257.db2.gz KMCVOKXVRKPCJS-OAHLLOKOSA-N 0 1 247.338 2.477 20 0 BEADMN CCOC(=O)/C=C\CNC1(c2ccccc2)CC1 ZINC001262238041 992815964 /nfs/dbraw/zinc/81/59/64/992815964.db2.gz PPTKCBQPIOVYRN-TWGQIWQCSA-N 0 1 245.322 2.385 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)nc1 ZINC001262258710 992821868 /nfs/dbraw/zinc/82/18/68/992821868.db2.gz QVBCDUVLBHNAQG-BDAKNGLRSA-N 0 1 234.278 2.356 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cc2nncs2)C1 ZINC001262256807 992821891 /nfs/dbraw/zinc/82/18/91/992821891.db2.gz VQFIVRLRDNTVDX-VIFPVBQESA-N 0 1 225.361 2.406 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cc2nncs2)C1 ZINC001262256806 992823474 /nfs/dbraw/zinc/82/34/74/992823474.db2.gz VQFIVRLRDNTVDX-SECBINFHSA-N 0 1 225.361 2.406 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC001262338973 992844444 /nfs/dbraw/zinc/84/44/44/992844444.db2.gz HOTXPTCBHPHYLO-QUBYGPBYSA-N 0 1 241.237 2.199 20 0 BEADMN Cc1cc(C)c2c(c1)CC[N@H+]([C@H](C)C(=O)[O-])C2 ZINC001574321743 992847379 /nfs/dbraw/zinc/84/73/79/992847379.db2.gz FPWIYHADUXFYLL-LLVKDONJSA-N 0 1 233.311 2.135 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574461238 992864812 /nfs/dbraw/zinc/86/48/12/992864812.db2.gz LWKDLHLJPKTAHF-VIFPVBQESA-N 0 1 236.315 2.333 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC=C(F)C2)CCC1 ZINC001574638627 992880812 /nfs/dbraw/zinc/88/08/12/992880812.db2.gz NHMSMGNNLVYVOF-UHFFFAOYSA-N 0 1 227.279 2.191 20 0 BEADMN Cc1ncoc1CNC[C@@H](O)CC1CCCC1 ZINC001262578768 992934698 /nfs/dbraw/zinc/93/46/98/992934698.db2.gz YJTAQUYBGBKORB-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN C=C/C=C\CCNC(=O)[C@H](N)c1ccccc1C ZINC001574888971 992938169 /nfs/dbraw/zinc/93/81/69/992938169.db2.gz NCVQIIYRYAIKEZ-ZRUQZJFASA-N 0 1 244.338 2.243 20 0 BEADMN CCCCC[C@@H]1CCCN1c1nccnc1CN ZINC001262687222 993026995 /nfs/dbraw/zinc/02/69/95/993026995.db2.gz HODRZUGLJPDHHL-GFCCVEGCSA-N 0 1 248.374 2.484 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ccccn2)[nH]n1 ZINC001262687850 993029017 /nfs/dbraw/zinc/02/90/17/993029017.db2.gz ZFBHHENUFMDPIR-SECBINFHSA-N 0 1 216.288 2.156 20 0 BEADMN C[C@]1(CNc2ccnc(N)n2)CC1(Cl)Cl ZINC001262698521 993038362 /nfs/dbraw/zinc/03/83/62/993038362.db2.gz WWUPQKATLDTYMW-MRVPVSSYSA-N 0 1 247.129 2.055 20 0 BEADMN CC(C)[C@H](CNCc1ccsc1Cl)ON ZINC001575434920 993044543 /nfs/dbraw/zinc/04/45/43/993044543.db2.gz SLRFVLYHOBUOHS-VIFPVBQESA-N 0 1 248.779 2.406 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)c1ccccc1 ZINC001575828663 993110005 /nfs/dbraw/zinc/11/00/05/993110005.db2.gz PEBKGANQMLRUCJ-IHRRRGAJSA-N 0 1 246.354 2.095 20 0 BEADMN NCc1cc(C(=O)NCC2CCC=CCC2)co1 ZINC001263225739 993173311 /nfs/dbraw/zinc/17/33/11/993173311.db2.gz WBBSEIARODWRJZ-UHFFFAOYSA-N 0 1 248.326 2.215 20 0 BEADMN CC[C@@H](NC/C=C/C1CC1)c1nccn1C ZINC000378847006 993210085 /nfs/dbraw/zinc/21/00/85/993210085.db2.gz ALTTVOBZVAFHBN-ZYOFXKKJSA-N 0 1 219.332 2.427 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CC=CC[C@@H]1C ZINC001263361653 993241032 /nfs/dbraw/zinc/24/10/32/993241032.db2.gz NGNSIZMFDNNZEB-GXSJLCMTSA-N 0 1 234.299 2.477 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC=CC[C@H]1C ZINC001263361654 993241125 /nfs/dbraw/zinc/24/11/25/993241125.db2.gz NGNSIZMFDNNZEB-KOLCDFICSA-N 0 1 234.299 2.477 20 0 BEADMN Cc1cc(C(=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380472034 993332603 /nfs/dbraw/zinc/33/26/03/993332603.db2.gz YNMLXEFIGGRKAW-BETUJISGSA-N 0 1 231.295 2.145 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CCC12CCC2 ZINC001263511921 993353460 /nfs/dbraw/zinc/35/34/60/993353460.db2.gz AVKNUTYKHJINJF-SECBINFHSA-N 0 1 220.272 2.208 20 0 BEADMN Cc1cnc(CN[C@H](C)CC(F)(F)F)cn1 ZINC000381455019 993397921 /nfs/dbraw/zinc/39/79/21/993397921.db2.gz JCEUOYGFADDIPF-SSDOTTSWSA-N 0 1 233.237 2.216 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1ccc(F)nc1 ZINC001263586759 993405807 /nfs/dbraw/zinc/40/58/07/993405807.db2.gz PURGYVAEBXQJLV-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cc(CNCc2ccc(Cl)nc2)[nH]n1 ZINC000381563249 993407889 /nfs/dbraw/zinc/40/78/89/993407889.db2.gz SCYXASJAGMKRIQ-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN OCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586894622 993414245 /nfs/dbraw/zinc/41/42/45/993414245.db2.gz PDMGDEUAIODNSL-UHFFFAOYSA-N 0 1 248.179 2.256 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCC1CC1 ZINC001263604122 993416110 /nfs/dbraw/zinc/41/61/10/993416110.db2.gz TZTWTOJGBFLIFH-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN C[C@]1(CO)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000381760896 993424020 /nfs/dbraw/zinc/42/40/20/993424020.db2.gz OPRWHHAYOSVHFR-ZDUSSCGKSA-N 0 1 241.281 2.169 20 0 BEADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1C[C@@H]1F ZINC001263776519 993507157 /nfs/dbraw/zinc/50/71/57/993507157.db2.gz LEQKURXVXSWHMA-FSPLSTOPSA-N 0 1 247.628 2.481 20 0 BEADMN CCOC(=O)/C=C\CN[C@@H](C)c1cccc(O)c1 ZINC000384019668 993535224 /nfs/dbraw/zinc/53/52/24/993535224.db2.gz ZGRFNYRSYYKFQC-OFSNVTPPSA-N 0 1 249.310 2.162 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3CCN3)n2)cc1F ZINC000384846986 993634091 /nfs/dbraw/zinc/63/40/91/993634091.db2.gz YKTNZKWNRJFGJZ-VIFPVBQESA-N 0 1 237.209 2.049 20 0 BEADMN Cc1nc(F)ccc1CNC(C)(C)CF ZINC000389949635 993773455 /nfs/dbraw/zinc/77/34/55/993773455.db2.gz RTHMNGHPKGNAGQ-UHFFFAOYSA-N 0 1 214.259 2.367 20 0 BEADMN Cn1cc(Cl)c(CNC[C@H]2CC2(C)C)n1 ZINC000700681638 993842321 /nfs/dbraw/zinc/84/23/21/993842321.db2.gz YGXALMDRUIMIDX-MRVPVSSYSA-N 0 1 227.739 2.209 20 0 BEADMN COc1nccc(-c2cc(N)ccn2)c1Cl ZINC000701588026 993895226 /nfs/dbraw/zinc/89/52/26/993895226.db2.gz ZCNLVXMRGQHLMN-UHFFFAOYSA-N 0 1 235.674 2.388 20 0 BEADMN CNc1ncccc1CN1CC[C@H](OC(C)C)C1 ZINC000701731354 993906027 /nfs/dbraw/zinc/90/60/27/993906027.db2.gz VRPZKAPOQKNKAT-ZDUSSCGKSA-N 0 1 249.358 2.123 20 0 BEADMN CCCN(CC(=O)OCC)CC(C)(C)OCC ZINC000702752142 994043214 /nfs/dbraw/zinc/04/32/14/994043214.db2.gz MRCZBKHFHBMJOZ-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN CCC[N@@H+](CC(=O)OCC)CC(C)(C)OCC ZINC000702752142 994043207 /nfs/dbraw/zinc/04/32/07/994043207.db2.gz MRCZBKHFHBMJOZ-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN C[C@@H]([NH2+][C@H](C)c1ccc(C(=O)[O-])o1)c1cn[nH]c1 ZINC001593198889 994175673 /nfs/dbraw/zinc/17/56/73/994175673.db2.gz VINGNODPKVZJPI-HTQZYQBOSA-N 0 1 249.270 2.113 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1CCC[C@H]1C ZINC001599645561 994420035 /nfs/dbraw/zinc/42/00/35/994420035.db2.gz VTFVATAPNSXLIR-SNVBAGLBSA-N 0 1 249.310 2.378 20 0 BEADMN C[C@H]([NH2+]CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593240728 994432062 /nfs/dbraw/zinc/43/20/62/994432062.db2.gz RXVHJIQDECMKJF-ZETCQYMHSA-N 0 1 242.344 2.176 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2O)C1 ZINC001288861671 994480881 /nfs/dbraw/zinc/48/08/81/994480881.db2.gz BSFUGBDOTRNLNX-RKDXNWHRSA-N 0 1 237.274 2.450 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCN(C)[C@@H](C)C1)CC ZINC001293396851 994650355 /nfs/dbraw/zinc/65/03/55/994650355.db2.gz VHNSVTOTFYKCFN-JJIWSXLNSA-N 0 1 236.359 2.061 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[nH]1 ZINC001335263060 994707996 /nfs/dbraw/zinc/70/79/96/994707996.db2.gz PKZKYCBBXIUMQB-OWUUHHOZSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)n1 ZINC001335263060 994708008 /nfs/dbraw/zinc/70/80/08/994708008.db2.gz PKZKYCBBXIUMQB-OWUUHHOZSA-N 0 1 248.330 2.132 20 0 BEADMN Cc1cc(F)cc(NC(=O)Cc2cnc[nH]2)c1 ZINC001294735648 994711276 /nfs/dbraw/zinc/71/12/76/994711276.db2.gz MVLPKHSXHHXFKL-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN C[C@@H]([NH2+]Cc1ccoc1)c1cc(C(=O)[O-])co1 ZINC001593311488 994782578 /nfs/dbraw/zinc/78/25/78/994782578.db2.gz RGBPIVCAYUBEAJ-MRVPVSSYSA-N 0 1 235.239 2.422 20 0 BEADMN Cc1cc(NCc2cnc(C(C)C)[nH]2)ncn1 ZINC001307219389 994840683 /nfs/dbraw/zinc/84/06/83/994840683.db2.gz MJTZBMCBBNFMHO-UHFFFAOYSA-N 0 1 231.303 2.244 20 0 BEADMN CCC(=O)NCCN(C)Cc1csc(C)c1 ZINC001492176622 995027023 /nfs/dbraw/zinc/02/70/23/995027023.db2.gz GRRPTIOGSFPKJU-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN Cc1cc(N)nc(N[C@H](C)c2ncccc2C)n1 ZINC001337325873 995166188 /nfs/dbraw/zinc/16/61/88/995166188.db2.gz SXEBUXFIAYXXLQ-SNVBAGLBSA-N 0 1 243.314 2.244 20 0 BEADMN CC(C)c1ncc(CNC(=O)C2CCCC2)[nH]1 ZINC001304103839 995189892 /nfs/dbraw/zinc/18/98/92/995189892.db2.gz FVFRSPMIGJRPBP-UHFFFAOYSA-N 0 1 235.331 2.340 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@@H]1CCCS1 ZINC001304166418 995195719 /nfs/dbraw/zinc/19/57/19/995195719.db2.gz XZZTXDRJHONSSQ-NSHDSACASA-N 0 1 247.323 2.168 20 0 BEADMN Cc1nc2cccc(C(=O)NC/C=C\Cl)c2[nH]1 ZINC001304682060 995216456 /nfs/dbraw/zinc/21/64/56/995216456.db2.gz CTDREXIMQSXKSF-UTCJRWHESA-N 0 1 249.701 2.354 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@@H]2C2CCC2)n1 ZINC001337837798 995221866 /nfs/dbraw/zinc/22/18/66/995221866.db2.gz TXTWQTHVUBYNEP-LLVKDONJSA-N 0 1 232.331 2.136 20 0 BEADMN Cc1cc([C@@H](C)NC(=O)Cc2cnc[nH]2)c(C)o1 ZINC001339052607 995248672 /nfs/dbraw/zinc/24/86/72/995248672.db2.gz ABWIHFSTGBLXDS-SECBINFHSA-N 0 1 247.298 2.039 20 0 BEADMN Cc1cc([C@H](C)NC(=O)Cc2cnc[nH]2)c(C)o1 ZINC001339052608 995251168 /nfs/dbraw/zinc/25/11/68/995251168.db2.gz ABWIHFSTGBLXDS-VIFPVBQESA-N 0 1 247.298 2.039 20 0 BEADMN COc1nscc1CN1CCC[C@H]1C ZINC001307494152 995384584 /nfs/dbraw/zinc/38/45/84/995384584.db2.gz QYQSRFGSSLQRDW-MRVPVSSYSA-N 0 1 212.318 2.136 20 0 BEADMN Cc1cc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)sn1 ZINC001307687342 995433661 /nfs/dbraw/zinc/43/36/61/995433661.db2.gz ZDZVLKFOISTGNC-JGPRNRPPSA-N 0 1 240.372 2.185 20 0 BEADMN CCC[C@@H]1CCCN1Cc1nc(C)no1 ZINC001308133411 995550855 /nfs/dbraw/zinc/55/08/55/995550855.db2.gz JKPJVHARTCWWCM-SNVBAGLBSA-N 0 1 209.293 2.143 20 0 BEADMN CN(CCCC1CCC1)Cc1ccn(C)n1 ZINC001308151417 995570873 /nfs/dbraw/zinc/57/08/73/995570873.db2.gz RHYZWRXOBPIBPJ-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN c1nonc1CN1CCC[C@@H](C2CCCC2)C1 ZINC001308155628 995576437 /nfs/dbraw/zinc/57/64/37/995576437.db2.gz AFLXQSSMACTUFP-GFCCVEGCSA-N 0 1 235.331 2.472 20 0 BEADMN Cc1ncc(CNC2([C@@H]3CCCO3)CCC2)o1 ZINC001308159175 995578878 /nfs/dbraw/zinc/57/88/78/995578878.db2.gz BAMSVTGQEQYBJA-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CC(C)n1c(CN[C@H](C)CO)nc2ccccc21 ZINC001308221544 995599308 /nfs/dbraw/zinc/59/93/08/995599308.db2.gz BYHPJFURBVMBFV-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN CC1=C[C@@H](C)C[N@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC001594109417 998193440 /nfs/dbraw/zinc/19/34/40/998193440.db2.gz GYHBMDVZJWZQJF-ZYHUDNBSSA-N 0 1 225.332 2.384 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CC2(CCC2)C1 ZINC001594166480 998631185 /nfs/dbraw/zinc/63/11/85/998631185.db2.gz VPEMFUCNGYGUJT-PWSUYJOCSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(=O)[O-] ZINC001594216710 998833492 /nfs/dbraw/zinc/83/34/92/998833492.db2.gz WZHWKLXVSGIVOA-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)[O-])C1 ZINC001594268689 999038954 /nfs/dbraw/zinc/03/89/54/999038954.db2.gz ABSIDTMMUNFMNP-CMPLNLGQSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)[O-] ZINC001594270484 999045251 /nfs/dbraw/zinc/04/52/51/999045251.db2.gz VCKUSJOKUBNGNI-MDZLAQPJSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1C(=O)[O-] ZINC001594275437 999065502 /nfs/dbraw/zinc/06/55/02/999065502.db2.gz RJVVRRCGXLEANP-LDYMZIIASA-N 0 1 248.282 2.039 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@H]1C ZINC001594387801 999467426 /nfs/dbraw/zinc/46/74/26/999467426.db2.gz NTFMIZVJJHZSKB-HTQZYQBOSA-N 0 1 240.328 2.387 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@H](C)C1 ZINC001594413108 999543728 /nfs/dbraw/zinc/54/37/28/999543728.db2.gz XVTHSTVMOBCLLR-JGVFFNPUSA-N 0 1 240.328 2.244 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)[O-])CC12CCCCC2 ZINC001594417415 999560505 /nfs/dbraw/zinc/56/05/05/999560505.db2.gz WIEUKFFJEHOFDS-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCc1nc([C@@H](C)NCc2ccc(F)cc2)n[nH]1 ZINC001620887871 1170165743 /nfs/dbraw/zinc/16/57/43/1170165743.db2.gz XGDLTQLHLOEOML-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN Cc1nocc1NCc1ccc2nc[nH]c2c1 ZINC001621051847 1170191271 /nfs/dbraw/zinc/19/12/71/1170191271.db2.gz VMQCGOLOXBZNBI-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CCC(=O)C(C)C ZINC001609698669 1170276788 /nfs/dbraw/zinc/27/67/88/1170276788.db2.gz KHWFXEPHYKHHLL-UHFFFAOYSA-N 0 1 243.347 2.034 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001609824855 1170295839 /nfs/dbraw/zinc/29/58/39/1170295839.db2.gz GINMEGFGUNDZPW-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001609824855 1170295844 /nfs/dbraw/zinc/29/58/44/1170295844.db2.gz GINMEGFGUNDZPW-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001609825726 1170295249 /nfs/dbraw/zinc/29/52/49/1170295249.db2.gz QAHWIOYLTWRARB-GFCCVEGCSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001609825726 1170295259 /nfs/dbraw/zinc/29/52/59/1170295259.db2.gz QAHWIOYLTWRARB-GFCCVEGCSA-N 0 1 240.278 2.037 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001609829176 1170296703 /nfs/dbraw/zinc/29/67/03/1170296703.db2.gz YPOUOXZCMNFBDP-SNVBAGLBSA-N 0 1 223.316 2.139 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@@H+]2CCC[C@@H]2C)n1C ZINC001610407998 1170376033 /nfs/dbraw/zinc/37/60/33/1170376033.db2.gz ZLUCHVKYLVHSFF-VIFPVBQESA-N 0 1 236.315 2.016 20 0 BEADMN Cc1ccc(NCc2ccoc2C(=O)[O-])[nH+]c1 ZINC001610510311 1170378786 /nfs/dbraw/zinc/37/87/86/1170378786.db2.gz HRSHYJRXGHRYLV-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1C ZINC001610528970 1170384058 /nfs/dbraw/zinc/38/40/58/1170384058.db2.gz FRRCRJIVTLMNCF-NTZNESFSSA-N 0 1 233.311 2.461 20 0 BEADMN Cc1nc(CNc2nc3ccc(F)cc3o2)n[nH]1 ZINC001613030256 1170468109 /nfs/dbraw/zinc/46/81/09/1170468109.db2.gz PKNBWOMBNZAGTR-UHFFFAOYSA-N 0 1 247.233 2.006 20 0 BEADMN Cc1ccc(CSc2c[nH]nn2)nc1Cl ZINC001613578311 1170479055 /nfs/dbraw/zinc/47/90/55/1170479055.db2.gz RRIZBOMFCCUMRH-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CNC(=O)c1ccccc1Nc1ccncc1 ZINC000034131063 1170539456 /nfs/dbraw/zinc/53/94/56/1170539456.db2.gz GZXIOJLHXDLNNV-UHFFFAOYSA-N 0 1 227.267 2.185 20 0 BEADMN Cc1cccnc1CN1CC[C@@H]2[C@H](C1)C2(F)F ZINC001616468409 1170557028 /nfs/dbraw/zinc/55/70/28/1170557028.db2.gz YDUVNOWIRGZNQU-MNOVXSKESA-N 0 1 238.281 2.477 20 0 BEADMN CC(C)(C)C1=CCN(CC2=NOCC2)CC1 ZINC001616959234 1170572908 /nfs/dbraw/zinc/57/29/08/1170572908.db2.gz WYEUXIUEIKCWFS-UHFFFAOYSA-N 0 1 222.332 2.441 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)[C@@H]1C ZINC001616974292 1170574124 /nfs/dbraw/zinc/57/41/24/1170574124.db2.gz LCWLXNQAAQNFNE-IJLUTSLNSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cc(C)c2c(c1)CN(CC1=NOCC1)CC2 ZINC001617309877 1170588068 /nfs/dbraw/zinc/58/80/68/1170588068.db2.gz DWRAVAJQGHMMFW-UHFFFAOYSA-N 0 1 244.338 2.438 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nnnn2C2CC2)[C@H]1C ZINC001617358581 1170589616 /nfs/dbraw/zinc/58/96/16/1170589616.db2.gz BIOFJCDIJLNQIN-GARJFASQSA-N 0 1 249.362 2.189 20 0 BEADMN CCC[C@@H](C)[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC001617887368 1170607531 /nfs/dbraw/zinc/60/75/31/1170607531.db2.gz GJUZNCYQWHHBOA-SECBINFHSA-N 0 1 239.319 2.143 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1cccc2nc[nH]c21 ZINC001617997749 1170612896 /nfs/dbraw/zinc/61/28/96/1170612896.db2.gz WNHNSIGZGLHKED-SNVBAGLBSA-N 0 1 241.294 2.401 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC[C@H]2C)n[nH]1 ZINC001618149670 1170618813 /nfs/dbraw/zinc/61/88/13/1170618813.db2.gz HXHVRRJLAFHMRO-LLVKDONJSA-N 0 1 235.331 2.052 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](CCCO)C2)o1 ZINC001618509945 1170639814 /nfs/dbraw/zinc/63/98/14/1170639814.db2.gz DUNKGJUCWNJHIM-VXGBXAGGSA-N 0 1 238.331 2.138 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](CCCO)C2)o1 ZINC001618509943 1170639901 /nfs/dbraw/zinc/63/99/01/1170639901.db2.gz DUNKGJUCWNJHIM-NWDGAFQWSA-N 0 1 238.331 2.138 20 0 BEADMN c1cc2n(n1)CCN(CC1CC3(CCC3)C1)C2 ZINC001620450232 1170672756 /nfs/dbraw/zinc/67/27/56/1170672756.db2.gz NFAXCZCBPXSXSL-UHFFFAOYSA-N 0 1 231.343 2.279 20 0 BEADMN CC(C)CCN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001620551001 1170681314 /nfs/dbraw/zinc/68/13/14/1170681314.db2.gz FTVWZTACQKSVTI-UHFFFAOYSA-N 0 1 247.342 2.421 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)nn1C ZINC001620643551 1170692570 /nfs/dbraw/zinc/69/25/70/1170692570.db2.gz JQJKYXMOCRXGHF-GFCCVEGCSA-N 0 1 248.374 2.457 20 0 BEADMN CCC[C@@H]1CCCN1Cc1nc(C2CC2)nn1C ZINC001620643551 1170692573 /nfs/dbraw/zinc/69/25/73/1170692573.db2.gz JQJKYXMOCRXGHF-GFCCVEGCSA-N 0 1 248.374 2.457 20 0 BEADMN CN(Cc1cccn1C(F)F)C[C@H]1CCCO1 ZINC001621227317 1170746830 /nfs/dbraw/zinc/74/68/30/1170746830.db2.gz RHCUESFSULXWLC-LLVKDONJSA-N 0 1 244.285 2.494 20 0 BEADMN CO[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@H](C)C1 ZINC001621279215 1170759560 /nfs/dbraw/zinc/75/95/60/1170759560.db2.gz PBLJIBPTQVTMLT-BXUZGUMPSA-N 0 1 249.358 2.217 20 0 BEADMN CO[C@H]1CCN(Cc2cn(C3CC3)cn2)[C@H](C)C1 ZINC001621279217 1170760719 /nfs/dbraw/zinc/76/07/19/1170760719.db2.gz PBLJIBPTQVTMLT-RISCZKNCSA-N 0 1 249.358 2.217 20 0 BEADMN C[C@H]1CCN(Cc2cccn2C(F)F)C[C@H]1O ZINC001621313370 1170771385 /nfs/dbraw/zinc/77/13/85/1170771385.db2.gz YZYYDHKSOLTPGZ-GXSJLCMTSA-N 0 1 244.285 2.086 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cc2cnccc2o1 ZINC001621434407 1170809424 /nfs/dbraw/zinc/80/94/24/1170809424.db2.gz VCFBICSLZQHTSW-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN C[C@H]([NH2+]C1CCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001621539786 1170844107 /nfs/dbraw/zinc/84/41/07/1170844107.db2.gz SQTVGLKUQCNPAP-LURJTMIESA-N 0 1 248.252 2.417 20 0 BEADMN Cc1c[nH+]c(Nc2cccc(C(=O)[O-])c2)c(N)c1 ZINC000036242849 1170911617 /nfs/dbraw/zinc/91/16/17/1170911617.db2.gz WAQORGGEDFPVNU-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN CCC=C(F)C(=O)Nc1cccc2[nH]nnc21 ZINC001624599150 1171047591 /nfs/dbraw/zinc/04/75/91/1171047591.db2.gz GBTDUWWQWJUZJD-QPJJXVBHSA-N 0 1 234.234 2.160 20 0 BEADMN CC=CC=CC(=O)Nc1cccc2[nH]nnc21 ZINC001624596054 1171048114 /nfs/dbraw/zinc/04/81/14/1171048114.db2.gz VHKDUVLQPNMYGT-HOJFPOIOSA-N 0 1 228.255 2.029 20 0 BEADMN Cc1coc(C(=O)Nc2cccc3[nH]nnc32)c1 ZINC001624599153 1171048761 /nfs/dbraw/zinc/04/87/61/1171048761.db2.gz GGFYGWDRLWEDBD-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COC(=O)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000038525189 1171058550 /nfs/dbraw/zinc/05/85/50/1171058550.db2.gz DOZVPZDXDAJTRW-UHFFFAOYSA-N 0 1 238.674 2.322 20 0 BEADMN CC[C@@H]1CCCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001625420870 1171101183 /nfs/dbraw/zinc/10/11/83/1171101183.db2.gz UDDJSGGFSOQQDJ-GFCCVEGCSA-N 0 1 249.358 2.299 20 0 BEADMN Cc1ccc2nc(-c3ccc(=O)[nH]c3)[nH]c2c1 ZINC000041066110 1171165733 /nfs/dbraw/zinc/16/57/33/1171165733.db2.gz RMMUIQDDZVBODP-UHFFFAOYSA-N 0 1 225.251 2.227 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001627398239 1171167696 /nfs/dbraw/zinc/16/76/96/1171167696.db2.gz CHRILHFMFMYXGY-DTWKUNHWSA-N 0 1 239.294 2.105 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001627398238 1171169460 /nfs/dbraw/zinc/16/94/60/1171169460.db2.gz CHRILHFMFMYXGY-BDAKNGLRSA-N 0 1 239.294 2.105 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2nc(C(C)C)co2)[nH]1 ZINC001627978970 1171198166 /nfs/dbraw/zinc/19/81/66/1171198166.db2.gz PJKOVVBOQIILLD-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(F)c(C)c1 ZINC001628007130 1171199372 /nfs/dbraw/zinc/19/93/72/1171199372.db2.gz YTNOHMABUONUQH-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cccc2[nH]cnc21 ZINC001628727254 1171263465 /nfs/dbraw/zinc/26/34/65/1171263465.db2.gz PLUQWUWWLFGKQJ-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@H]1CCC[C@H](C)C1 ZINC000043640903 1171312257 /nfs/dbraw/zinc/31/22/57/1171312257.db2.gz JSJVQICKBUCVLC-DCAQKATOSA-N 0 1 213.321 2.058 20 0 BEADMN CCC(=O)Nc1ccc(F)c(F)c1O ZINC001629408963 1171314742 /nfs/dbraw/zinc/31/47/42/1171314742.db2.gz PCEMKHFKRWPXGS-UHFFFAOYSA-N 0 1 201.172 2.019 20 0 BEADMN C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(F)F ZINC001629584820 1171327163 /nfs/dbraw/zinc/32/71/63/1171327163.db2.gz BESKENOPPLTYKR-VIFPVBQESA-N 0 1 248.317 2.021 20 0 BEADMN Cc1cc(CCC(=O)NCCCC2CCC2)n[nH]1 ZINC001629638256 1171335976 /nfs/dbraw/zinc/33/59/76/1171335976.db2.gz FVXIVOYJWLMTMM-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCCNCc1nc(-c2ccccc2OC)no1 ZINC000044291447 1171369845 /nfs/dbraw/zinc/36/98/45/1171369845.db2.gz USIILPUICUSCBG-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)c1cccc(Cl)c1 ZINC001632708438 1171529686 /nfs/dbraw/zinc/52/96/86/1171529686.db2.gz JUEGJCMJSJUPJS-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)[C@H](C)N(C)C ZINC001632831422 1171538209 /nfs/dbraw/zinc/53/82/09/1171538209.db2.gz GUHFMJYAUOVLLM-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H]1CCCN(CC(=O)OC(C)C)C1 ZINC000047867227 1171573956 /nfs/dbraw/zinc/57/39/56/1171573956.db2.gz QEYIBNDNDSVGOR-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001633397736 1171577555 /nfs/dbraw/zinc/57/75/55/1171577555.db2.gz OXOYEBAINIUQIW-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN C=C/C(C)=C\CC(=O)N(C)C1CN(CC2CC2)C1 ZINC001671157970 1171601208 /nfs/dbraw/zinc/60/12/08/1171601208.db2.gz XLUWQTFIRMPBJE-XGICHPGQSA-N 0 1 248.370 2.061 20 0 BEADMN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NOC1CCCCC1 ZINC001634691585 1171671765 /nfs/dbraw/zinc/67/17/65/1171671765.db2.gz MEHKMZMSXGVMQG-ADEWGFFLSA-N 0 1 241.331 2.038 20 0 BEADMN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NOC1CCCCC1 ZINC001634691587 1171672421 /nfs/dbraw/zinc/67/24/21/1171672421.db2.gz MEHKMZMSXGVMQG-YUSALJHKSA-N 0 1 241.331 2.038 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538289 1171701191 /nfs/dbraw/zinc/70/11/91/1171701191.db2.gz JSEPREHJNQGELP-QMMMGPOBSA-N 0 1 203.245 2.017 20 0 BEADMN CCCCCC(=O)NCc1cnc(CC)[nH]1 ZINC001635607446 1171741841 /nfs/dbraw/zinc/74/18/41/1171741841.db2.gz YFTATKSOYWSTHC-UHFFFAOYSA-N 0 1 223.320 2.169 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CC[C@@H](F)C1 ZINC001636079750 1171794057 /nfs/dbraw/zinc/79/40/57/1171794057.db2.gz OKFBVDPAGNXGPU-MRVPVSSYSA-N 0 1 243.665 2.230 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccc(C)c(F)c2)o1 ZINC000050618279 1171821304 /nfs/dbraw/zinc/82/13/04/1171821304.db2.gz NRNKTVPSAPIGLN-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CC[C@@H](NC(=O)C(C)(F)F)C(F)(F)F ZINC001637963256 1171981757 /nfs/dbraw/zinc/98/17/57/1171981757.db2.gz CXKIJCZDLYJQAR-SCSAIBSYSA-N 0 1 219.153 2.099 20 0 BEADMN CCC(C)(CC)NC(=O)c1coc(CN)c1 ZINC000187776913 168311143 /nfs/dbraw/zinc/31/11/43/168311143.db2.gz IIMZCOYEXYJPRI-UHFFFAOYSA-N 0 1 224.304 2.047 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000266887246 538913836 /nfs/dbraw/zinc/91/38/36/538913836.db2.gz LKKWUVROFGCIGT-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CO[C@@H](CNCc1cnc(C)o1)CC(C)C ZINC000628314389 349452516 /nfs/dbraw/zinc/45/25/16/349452516.db2.gz YBLCMNZFJNFVGA-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccco1 ZINC000572420026 398142305 /nfs/dbraw/zinc/14/23/05/398142305.db2.gz GQXQNPNSWSQCMD-UHFFFAOYSA-N 0 1 233.315 2.078 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000257656818 349470446 /nfs/dbraw/zinc/47/04/46/349470446.db2.gz HUDKRBLNJXUBEG-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC2CCCC2)C1 ZINC000062875704 349494491 /nfs/dbraw/zinc/49/44/91/349494491.db2.gz KEMGGYYLKJFVHI-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@@](C)(CO)NCc1nc2ccccc2o1 ZINC000605423005 343978933 /nfs/dbraw/zinc/97/89/33/343978933.db2.gz WESFHPIMAWQRJU-ZDUSSCGKSA-N 0 1 234.299 2.078 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1cccc(F)c1 ZINC000287410573 398144182 /nfs/dbraw/zinc/14/41/82/398144182.db2.gz RMCUNGUISCPSJE-ZDUSSCGKSA-N 0 1 248.305 2.195 20 0 BEADMN CCC[C@@H](CN[C@@H](COC)c1ccco1)OC ZINC000638720534 398158663 /nfs/dbraw/zinc/15/86/63/398158663.db2.gz KBQVZUCVXRNYAE-RYUDHWBXSA-N 0 1 241.331 2.372 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C ZINC000336927694 187322821 /nfs/dbraw/zinc/32/28/21/187322821.db2.gz NAGLKTVEZWVDHI-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)[C@@H]1C[C@@H](N[C@@H](C)C(F)F)CCO1 ZINC000389913462 398148567 /nfs/dbraw/zinc/14/85/67/398148567.db2.gz LKKSECOJKCVULD-GUBZILKMSA-N 0 1 221.291 2.433 20 0 BEADMN CC(C)[C@@H]1C[C@@H](N[C@H](C)C(F)F)CCO1 ZINC000389913464 398148660 /nfs/dbraw/zinc/14/86/60/398148660.db2.gz LKKSECOJKCVULD-UTLUCORTSA-N 0 1 221.291 2.433 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000062936210 349502124 /nfs/dbraw/zinc/50/21/24/349502124.db2.gz GSFGKTOEPHPNMC-ZDUSSCGKSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000062936211 349502320 /nfs/dbraw/zinc/50/23/20/349502320.db2.gz GSFGKTOEPHPNMC-CYBMUJFWSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2F)C1 ZINC000062936332 349502585 /nfs/dbraw/zinc/50/25/85/349502585.db2.gz CPRUXKZCCNVTQK-ZDUSSCGKSA-N 0 1 237.274 2.122 20 0 BEADMN C/C=C/C[C@H](CO)NCc1csc(CC)n1 ZINC000274609054 398150210 /nfs/dbraw/zinc/15/02/10/398150210.db2.gz SODCBNSNHWDQQM-RXNUUUNCSA-N 0 1 240.372 2.122 20 0 BEADMN Cc1cc(CN2CC[C@@H](OCC(C)C)C2)ncn1 ZINC000292563344 178002023 /nfs/dbraw/zinc/00/20/23/178002023.db2.gz RWFAYKNDAQPTOL-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H](N[C@H](C)C(F)F)[C@H]1CCOC1 ZINC000389956541 398151975 /nfs/dbraw/zinc/15/19/75/398151975.db2.gz ZZPBHBFYSFSXHG-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CNCCCC(F)(F)F)no1 ZINC000123593314 178020774 /nfs/dbraw/zinc/02/07/74/178020774.db2.gz CURIXNDHFXJPNP-UHFFFAOYSA-N 0 1 222.210 2.415 20 0 BEADMN Cc1cc(CNC[C@@H](O)C(F)(F)F)cs1 ZINC000285746360 178023627 /nfs/dbraw/zinc/02/36/27/178023627.db2.gz COLLPJYJRSLSMK-MRVPVSSYSA-N 0 1 239.262 2.069 20 0 BEADMN Cc1cc(CNCc2ccsc2)n(C)n1 ZINC000084244507 178025946 /nfs/dbraw/zinc/02/59/46/178025946.db2.gz TTZWMEGTJNCFGV-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1cc(CNCc2cncn2C)ccc1F ZINC000237639294 178027377 /nfs/dbraw/zinc/02/73/77/178027377.db2.gz JEIWPPJJYKHSKU-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1nnsc1CNCC1=CCCCC1 ZINC000379826668 398169710 /nfs/dbraw/zinc/16/97/10/398169710.db2.gz VIPYNQPUQHVQDM-UHFFFAOYSA-N 0 1 223.345 2.437 20 0 BEADMN Cc1cc(CN[C@@H]2COc3ccccc3C2)on1 ZINC000328423583 178035100 /nfs/dbraw/zinc/03/51/00/178035100.db2.gz ZNKVQQSTACSEEG-LBPRGKRZSA-N 0 1 244.294 2.076 20 0 BEADMN Cc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)no1 ZINC000368621701 178036339 /nfs/dbraw/zinc/03/63/39/178036339.db2.gz KGROFRMTHQPREU-STQMWFEESA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CC[C@@H](C)O2)nc1 ZINC000649904125 398174550 /nfs/dbraw/zinc/17/45/50/398174550.db2.gz LXLIBJFXEIHRGZ-TZMCWYRMSA-N 0 1 234.343 2.389 20 0 BEADMN CN(C[C@H]1CC=CCC1)c1ncnc2[nH]cnc21 ZINC000302151593 398174672 /nfs/dbraw/zinc/17/46/72/398174672.db2.gz MDBCTHLTUWDYAO-JTQLQIEISA-N 0 1 243.314 2.145 20 0 BEADMN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)ncn1 ZINC000649908460 398183703 /nfs/dbraw/zinc/18/37/03/398183703.db2.gz ORYVLYCSNBIIAT-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000185758875 178054992 /nfs/dbraw/zinc/05/49/92/178054992.db2.gz HIHJUXAKWGQZMN-WQAKAFBOSA-N 0 1 249.358 2.057 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)C2CC2)n[nH]1 ZINC000287812345 178055225 /nfs/dbraw/zinc/05/52/25/178055225.db2.gz BBVURKCGMKSRBJ-SECBINFHSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)CCC(C)C)n[nH]1 ZINC000162014928 178057053 /nfs/dbraw/zinc/05/70/53/178057053.db2.gz UFSZWYDVGQCFEQ-JTQLQIEISA-N 0 1 237.347 2.202 20 0 BEADMN C1CC1C(c1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000380052786 398182504 /nfs/dbraw/zinc/18/25/04/398182504.db2.gz MHKMDMOLHWJXDL-JTQLQIEISA-N 0 1 233.315 2.398 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1CO ZINC000162440445 538922613 /nfs/dbraw/zinc/92/26/13/538922613.db2.gz DNXYCOIBEUHYNR-AWEZNQCLSA-N 0 1 237.318 2.481 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](C)C1 ZINC000334260308 398194621 /nfs/dbraw/zinc/19/46/21/398194621.db2.gz RMSNEUCBHOUGCT-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(N(C)[C@H](C)CO)c2cc(F)ccc2n1 ZINC000301924444 178101051 /nfs/dbraw/zinc/10/10/51/178101051.db2.gz YKFGGRSXQHAHTC-SNVBAGLBSA-N 0 1 248.301 2.499 20 0 BEADMN c1[nH]nc2c1CCN(CC13CCC(CC1)C3)C2 ZINC000649393148 398198254 /nfs/dbraw/zinc/19/82/54/398198254.db2.gz JPKPWABVPCVXFJ-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN Cc1ccc(C)c(CN(C)[C@H](C)C(=O)N(C)C)c1 ZINC000429290035 192027476 /nfs/dbraw/zinc/02/74/76/192027476.db2.gz DDYDNKWTKOZGQO-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CC1(C)CC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000162664339 538924226 /nfs/dbraw/zinc/92/42/26/538924226.db2.gz FGKAADYYNIVUBZ-QMMMGPOBSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@H](C[N@@H+](CCC(C)(F)F)C1CC1)C(=O)[O-] ZINC000576352997 365575775 /nfs/dbraw/zinc/57/57/75/365575775.db2.gz LQWUIWOOZSMXOC-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN Cc1ccnc(CN(C)[C@@H](C)C(C)C)n1 ZINC000339658518 187329267 /nfs/dbraw/zinc/32/92/67/187329267.db2.gz MXAGRJNELDJELB-NSHDSACASA-N 0 1 207.321 2.261 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2cc(C)on2)C1(C)C ZINC000446955141 201702722 /nfs/dbraw/zinc/70/27/22/201702722.db2.gz XQNUARCGGLERAI-WCQYABFASA-N 0 1 238.331 2.276 20 0 BEADMN CC(C)C(CN1CC[S@](=O)[C@H](C)C1)C(C)C ZINC000576366704 365580406 /nfs/dbraw/zinc/58/04/06/365580406.db2.gz FLEWESDQKXHBHI-WBMJQRKESA-N 0 1 245.432 2.367 20 0 BEADMN Cc1cc(NCCC(C)(C)C(=O)[O-])nc(C)[nH+]1 ZINC000304344803 178157920 /nfs/dbraw/zinc/15/79/20/178157920.db2.gz JLQFFRGPGDQZDG-UHFFFAOYSA-N 0 1 237.303 2.006 20 0 BEADMN CCc1nc(CN[C@@H](C)c2ccccc2F)n[nH]1 ZINC000274594141 538930304 /nfs/dbraw/zinc/93/03/04/538930304.db2.gz KUFFDTHGSLXLKP-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CC1(C)CCC(C)(C)N(C(=O)Cc2ccn[nH]2)C1 ZINC000628532470 398221534 /nfs/dbraw/zinc/22/15/34/398221534.db2.gz MRFLBHWQUIKVTR-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000576405104 365587868 /nfs/dbraw/zinc/58/78/68/365587868.db2.gz DTMCOALUVNLMIY-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020087732 538930762 /nfs/dbraw/zinc/93/07/62/538930762.db2.gz DKZBOLHUXLKOHF-HTQZYQBOSA-N 0 1 228.361 2.445 20 0 BEADMN Cc1cc(N[C@H](C)c2nnc[nH]2)nc(C(C)C)n1 ZINC000226500386 178187536 /nfs/dbraw/zinc/18/75/36/178187536.db2.gz WYIQPHUHGMJPNU-SECBINFHSA-N 0 1 246.318 2.200 20 0 BEADMN CC[C@H](CO)N[C@H](C)c1nc(C)sc1C ZINC000020196174 538931010 /nfs/dbraw/zinc/93/10/10/538931010.db2.gz IQAQLTYHOCFMFS-GMSGAONNSA-N 0 1 228.361 2.181 20 0 BEADMN c1nc(CNC[C@@H]2CC23CCSCC3)co1 ZINC000421382434 192324963 /nfs/dbraw/zinc/32/49/63/192324963.db2.gz NNEDXQINKWKAHE-JTQLQIEISA-N 0 1 238.356 2.298 20 0 BEADMN Cc1csc([C@@H](C)N[C@H]2CCC[C@@H]2O)n1 ZINC000070733456 361745965 /nfs/dbraw/zinc/74/59/65/361745965.db2.gz WEYOMRXPPZFACF-UTLUCORTSA-N 0 1 226.345 2.016 20 0 BEADMN CCOC[C@@H](O)CNc1ccc2cnccc2c1 ZINC000576460269 365601332 /nfs/dbraw/zinc/60/13/32/365601332.db2.gz QVMNPHMWTRKXEB-AWEZNQCLSA-N 0 1 246.310 2.044 20 0 BEADMN CCOc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421395656 192328938 /nfs/dbraw/zinc/32/89/38/192328938.db2.gz ISRFTYXXHXNVQR-HNNXBMFYSA-N 0 1 247.338 2.450 20 0 BEADMN c1cc(CN2CC[C@]23CCOC3)cs1 ZINC000421398238 192329842 /nfs/dbraw/zinc/32/98/42/192329842.db2.gz NYFYGSSGUUNHOV-LLVKDONJSA-N 0 1 209.314 2.113 20 0 BEADMN Cc1cc([C@@H](C)NCC(C)(C)C[C@@H](C)O)no1 ZINC000330991258 178222194 /nfs/dbraw/zinc/22/21/94/178222194.db2.gz MXTCRUMZJNEGLF-MWLCHTKSSA-N 0 1 240.347 2.431 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000276672172 538933316 /nfs/dbraw/zinc/93/33/16/538933316.db2.gz UZJVAMNFCHURPX-LLVKDONJSA-N 0 1 237.347 2.283 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H](O)CC(C)(C)C)no1 ZINC000330492025 178226769 /nfs/dbraw/zinc/22/67/69/178226769.db2.gz IYUHFLNARYBIJF-GHMZBOCLSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1c(Cl)c(CNCCC2CC2)nn1C ZINC000421364436 192333339 /nfs/dbraw/zinc/33/33/39/192333339.db2.gz OIOVMXNHPNSNLM-UHFFFAOYSA-N 0 1 227.739 2.272 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C(C)C)C(C)(C)O)no1 ZINC000340507837 178231594 /nfs/dbraw/zinc/23/15/94/178231594.db2.gz NEWNBWTZMSCYJO-ZYHUDNBSSA-N 0 1 240.347 2.429 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000280040802 538936768 /nfs/dbraw/zinc/93/67/68/538936768.db2.gz VNKZGRNVDYBMOR-GFCCVEGCSA-N 0 1 249.358 2.381 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1CC[C@H](C)C1 ZINC000265470722 187332632 /nfs/dbraw/zinc/33/26/32/187332632.db2.gz PKGOWVBFPFRFFW-AAEUAGOBSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1cc([C@@H]2CCCN2C[C@@H](O)C(C)C)no1 ZINC000374092438 178241940 /nfs/dbraw/zinc/24/19/40/178241940.db2.gz DVRWKUCBBIPCMG-QWHCGFSZSA-N 0 1 238.331 2.137 20 0 BEADMN CC(C)(C)[C@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000280650514 538937775 /nfs/dbraw/zinc/93/77/75/538937775.db2.gz ZHRHAFHLWNIOSQ-GFCCVEGCSA-N 0 1 249.358 2.379 20 0 BEADMN CCC[C@@H](O)CN[C@@H](C)c1nc(C)cs1 ZINC000649430962 398233529 /nfs/dbraw/zinc/23/35/29/398233529.db2.gz BMXPNFVLZMYPKA-VHSXEESVSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1cc([C@H](C)NCCCc2c[nH]nc2C)no1 ZINC000281058580 178247462 /nfs/dbraw/zinc/24/74/62/178247462.db2.gz RPEUHBQXTKDGOJ-NSHDSACASA-N 0 1 248.330 2.298 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](O)CC(C)(C)C)no1 ZINC000330492027 178248487 /nfs/dbraw/zinc/24/84/87/178248487.db2.gz IYUHFLNARYBIJF-QWRGUYRKSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)NC[C@]2(C)CCOC2)no1 ZINC000309579142 178250413 /nfs/dbraw/zinc/25/04/13/178250413.db2.gz PVTZMDFMQMWBKC-JQWIXIFHSA-N 0 1 224.304 2.060 20 0 BEADMN Cc1cc([C@H](C)NCc2nnc[nH]2)c(C)s1 ZINC000037919509 178252390 /nfs/dbraw/zinc/25/23/90/178252390.db2.gz AANACZHRIARKLG-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCO[C@H]2C2CC2)no1 ZINC000368084990 178255619 /nfs/dbraw/zinc/25/56/19/178255619.db2.gz SFVLVLCSGKRIFA-NDMJEZRESA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[N@@H+](C)[C@H]2C)no1 ZINC000353671440 178257179 /nfs/dbraw/zinc/25/71/79/178257179.db2.gz BDUXTAOCFAPRMG-SRVKXCTJSA-N 0 1 237.347 2.116 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)CCc1cnc[nH]1 ZINC000281355082 538938576 /nfs/dbraw/zinc/93/85/76/538938576.db2.gz XAESVYTZFGWRPP-PWSUYJOCSA-N 0 1 235.331 2.132 20 0 BEADMN COCc1nc(CNC2CC=CC2)cs1 ZINC000165979504 538938595 /nfs/dbraw/zinc/93/85/95/538938595.db2.gz KUIFJERUXDCQJU-UHFFFAOYSA-N 0 1 224.329 2.098 20 0 BEADMN Cc1cc([C@H]2CCCN2Cc2[nH]ncc2C)no1 ZINC000365621222 178266872 /nfs/dbraw/zinc/26/68/72/178266872.db2.gz UDPRYTHQVVAEPX-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN CN(C)Cc1ccc(-c2ccn(C)n2)cc1F ZINC000649437838 398239637 /nfs/dbraw/zinc/23/96/37/398239637.db2.gz GSQLQNPEISCPMC-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)COC(C)C ZINC000276714492 178277293 /nfs/dbraw/zinc/27/72/93/178277293.db2.gz MCJDYKLHNPZFKY-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN CCN(CC(=O)N[C@@H](C)CC1CCC1)C1CC1 ZINC000634369207 361822027 /nfs/dbraw/zinc/82/20/27/361822027.db2.gz VIQWTOUWEWRXSD-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)[C@H]1C ZINC000576492361 365610923 /nfs/dbraw/zinc/61/09/23/365610923.db2.gz GAFPVSUQORNVJZ-BDAKNGLRSA-N 0 1 245.282 2.150 20 0 BEADMN CCC(CC)c1cc(CN[C@@H](C)[C@@H](C)O)on1 ZINC000576576994 365628590 /nfs/dbraw/zinc/62/85/90/365628590.db2.gz MILOLWYWTGSJLN-VHSXEESVSA-N 0 1 240.347 2.437 20 0 BEADMN C[C@H](CN[C@@H](C)c1ncc[nH]1)c1nccs1 ZINC000285955042 538942844 /nfs/dbraw/zinc/94/28/44/538942844.db2.gz FGGREHVCTIMGLU-BDAKNGLRSA-N 0 1 236.344 2.321 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1nccs1)OC ZINC000381284423 398247516 /nfs/dbraw/zinc/24/75/16/398247516.db2.gz MAXBURYMEMFGBN-ZJUUUORDSA-N 0 1 228.361 2.294 20 0 BEADMN CCc1cc(CN[C@@H]2CC[C@@H]2SC)on1 ZINC000576631207 365641949 /nfs/dbraw/zinc/64/19/49/365641949.db2.gz RXGHMTZJRPTPPZ-MNOVXSKESA-N 0 1 226.345 2.221 20 0 BEADMN CO[C@@H](CNCc1cc(C)no1)c1ccccc1 ZINC000386121986 398263538 /nfs/dbraw/zinc/26/35/38/398263538.db2.gz WECYQDGZCQAXSE-AWEZNQCLSA-N 0 1 246.310 2.460 20 0 BEADMN CC[C@@H]1CN(Cc2cncn2CC)CCS1 ZINC000417766163 398264301 /nfs/dbraw/zinc/26/43/01/398264301.db2.gz AABCTDLPLGDXLQ-GFCCVEGCSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1nnc([C@H](C)N2CCCC[C@H](C)C2)[nH]1 ZINC000334559654 136231419 /nfs/dbraw/zinc/23/14/19/136231419.db2.gz BCMNHNPGZZMLIY-UWVGGRQHSA-N 0 1 222.336 2.296 20 0 BEADMN CN[C@H](C)c1cn(C[C@H](C)c2ccccc2)nn1 ZINC000384990702 398260387 /nfs/dbraw/zinc/26/03/87/398260387.db2.gz VDQXLIZAIJRGLQ-NWDGAFQWSA-N 0 1 244.342 2.362 20 0 BEADMN CCC(CC)N(CC)Cc1nccc(N)n1 ZINC000289412620 168372471 /nfs/dbraw/zinc/37/24/71/168372471.db2.gz LZNLMVAGUSNIRN-UHFFFAOYSA-N 0 1 222.336 2.069 20 0 BEADMN CCn1ncnc1CNCC1(CC(C)C)CC1 ZINC000391926625 398266139 /nfs/dbraw/zinc/26/61/39/398266139.db2.gz VMFROPHYNQUEGS-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN Cc1ccc(C(=O)N2CCNC(C)(C)C2)c(C)c1 ZINC000148079255 178391501 /nfs/dbraw/zinc/39/15/01/178391501.db2.gz ZVLYISRUTUGOPC-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000378783098 346834102 /nfs/dbraw/zinc/83/41/02/346834102.db2.gz ZPHILCAHJDANAV-UHFFFAOYSA-N 0 1 240.328 2.216 20 0 BEADMN CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCC1 ZINC000348486885 136234595 /nfs/dbraw/zinc/23/45/95/136234595.db2.gz AZNJRBSPVAJPDE-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN CO[C@@]1(C)C[C@H](N(C)Cc2cncnc2)C1(C)C ZINC000180251344 538957691 /nfs/dbraw/zinc/95/76/91/538957691.db2.gz ULVPPWPGVWSTSS-JSGCOSHPSA-N 0 1 249.358 2.112 20 0 BEADMN CN(Cc1nnc[nH]1)CC(C)(C)c1ccccc1 ZINC000180324573 538957812 /nfs/dbraw/zinc/95/78/12/538957812.db2.gz DLQBCBQITZXEBS-UHFFFAOYSA-N 0 1 244.342 2.214 20 0 BEADMN Cc1cnc(CN2CC[C@]3(CCOC3)C2)s1 ZINC000180540627 538958245 /nfs/dbraw/zinc/95/82/45/538958245.db2.gz KJPNUYKCQCCQGR-LBPRGKRZSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000650503080 398273884 /nfs/dbraw/zinc/27/38/84/398273884.db2.gz KHUHBHWUUGOPIW-DGCLKSJQSA-N 0 1 233.311 2.433 20 0 BEADMN CC(C)CCCSc1nc(N)cc(N)n1 ZINC000165405315 361839294 /nfs/dbraw/zinc/83/92/94/361839294.db2.gz AOKHHGNRPVZJBK-UHFFFAOYSA-N 0 1 226.349 2.169 20 0 BEADMN CC[C@H](CCO)N[C@@H](C)c1csc(C)n1 ZINC000158862630 346858247 /nfs/dbraw/zinc/85/82/47/346858247.db2.gz CHHPGDXCGFGFJT-WCBMZHEXSA-N 0 1 228.361 2.263 20 0 BEADMN OCCCNC1(c2c(F)cccc2F)CCC1 ZINC000626178150 346855632 /nfs/dbraw/zinc/85/56/32/346855632.db2.gz IMEHWCZMPONDEE-UHFFFAOYSA-N 0 1 241.281 2.316 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000650517310 398276069 /nfs/dbraw/zinc/27/60/69/398276069.db2.gz FQIUPBUTZZIZMC-NSHDSACASA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN(C)CC(=O)OC ZINC000600113192 342671203 /nfs/dbraw/zinc/67/12/03/342671203.db2.gz VSFGWXWFJOWKGK-NEPJUHHUSA-N 0 1 227.348 2.308 20 0 BEADMN O[C@@H]1CC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000335603947 136235882 /nfs/dbraw/zinc/23/58/82/136235882.db2.gz NJUPZEYKTRTSRN-DGCLKSJQSA-N 0 1 232.258 2.309 20 0 BEADMN COC(=O)C[N@@H+](CCCC(C)C)C(C)C ZINC000166035306 361847174 /nfs/dbraw/zinc/84/71/74/361847174.db2.gz HTEGVZSIAIDISM-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN COC(=O)CN(CCCC(C)C)C(C)C ZINC000166035306 361847176 /nfs/dbraw/zinc/84/71/76/361847176.db2.gz HTEGVZSIAIDISM-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@H]1CCCC[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000183085009 538966065 /nfs/dbraw/zinc/96/60/65/538966065.db2.gz MNIWHCLMBODDTF-WDEREUQCSA-N 0 1 222.336 2.063 20 0 BEADMN c1c(CN2CCCCCC2)nn2c1CCC2 ZINC000649483085 398281147 /nfs/dbraw/zinc/28/11/47/398281147.db2.gz AREOPMRYLPZZAZ-UHFFFAOYSA-N 0 1 219.332 2.205 20 0 BEADMN CC[C@H](NC[C@H](C)OC)c1nccs1 ZINC000167087760 361860378 /nfs/dbraw/zinc/86/03/78/361860378.db2.gz DNARXVJTLJMQRJ-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN CCC(CC)NC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228074992 168382846 /nfs/dbraw/zinc/38/28/46/168382846.db2.gz LPDWEZOACONXSC-ZDUSSCGKSA-N 0 1 234.343 2.300 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cc3n(n2)CCC3)C1 ZINC000649481654 398279497 /nfs/dbraw/zinc/27/94/97/398279497.db2.gz OSIRIBAZZPNMBY-VXGBXAGGSA-N 0 1 233.359 2.307 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1CC=C(C)CC1 ZINC000339657288 168383103 /nfs/dbraw/zinc/38/31/03/168383103.db2.gz FBUQDAHQXBMKPY-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H](C(C)C)C1 ZINC000583932072 342728077 /nfs/dbraw/zinc/72/80/77/342728077.db2.gz TYKORJNWEZOBQK-OAHLLOKOSA-N 0 1 248.370 2.289 20 0 BEADMN C[C@H](CNCc1ncc[nH]1)Oc1ccc(F)cc1 ZINC000083380710 398280841 /nfs/dbraw/zinc/28/08/41/398280841.db2.gz KGPQFKGSCMTDRX-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000630007131 361891638 /nfs/dbraw/zinc/89/16/38/361891638.db2.gz GIYHNYKEMHOZFA-JSGCOSHPSA-N 0 1 238.375 2.022 20 0 BEADMN CC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000035759527 342759260 /nfs/dbraw/zinc/75/92/60/342759260.db2.gz ZZFJVESYEUTQNW-LLVKDONJSA-N 0 1 221.300 2.229 20 0 BEADMN CN(CC(=O)NC(C)(C)C(C)(C)C)C1CCC1 ZINC000629994280 361878021 /nfs/dbraw/zinc/87/80/21/361878021.db2.gz GFMCZLNIALVKHZ-UHFFFAOYSA-N 0 1 240.391 2.412 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cncc(F)c1 ZINC000309633996 342771134 /nfs/dbraw/zinc/77/11/34/342771134.db2.gz IUXWZNRIKLQJNL-JFUSQASVSA-N 0 1 224.279 2.049 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000008699069 342802313 /nfs/dbraw/zinc/80/23/13/342802313.db2.gz ZYBCTKJORPOWEA-LLVKDONJSA-N 0 1 239.702 2.389 20 0 BEADMN CC(C)CCN(CCC(C)C)C(=O)CN(C)C ZINC000185465870 538970923 /nfs/dbraw/zinc/97/09/23/538970923.db2.gz LQXAQAMIZZAIPB-UHFFFAOYSA-N 0 1 242.407 2.469 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@@H](C)O1 ZINC000607723832 342780461 /nfs/dbraw/zinc/78/04/61/342780461.db2.gz IDZDJXGYEBDQCM-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000630017378 361900057 /nfs/dbraw/zinc/90/00/57/361900057.db2.gz SWCLHXTZGQEVMV-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1Cl ZINC000032015454 342797195 /nfs/dbraw/zinc/79/71/95/342797195.db2.gz ZONLBTCOTGZXQO-MRVPVSSYSA-N 0 1 227.691 2.245 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccccc3)[nH]c21 ZINC000634582740 342798526 /nfs/dbraw/zinc/79/85/26/342798526.db2.gz ZNSBHYFGGVSYOM-MWLCHTKSSA-N 0 1 214.268 2.435 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)CC(C)(C)C1 ZINC000336622475 342812996 /nfs/dbraw/zinc/81/29/96/342812996.db2.gz PJVMZPZMZAQWDC-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN Cc1nsc(NC[C@@H]2CCCC23CC3)n1 ZINC000624757074 342825517 /nfs/dbraw/zinc/82/55/17/342825517.db2.gz LPIMHGXAWDPHKR-VIFPVBQESA-N 0 1 223.345 2.261 20 0 BEADMN Cc1ccc(CN(C(=O)c2cnc[nH]2)C2CC2)o1 ZINC000624758827 342826144 /nfs/dbraw/zinc/82/61/44/342826144.db2.gz JXGIQZZPGNMFJC-UHFFFAOYSA-N 0 1 245.282 2.116 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cscn2)n[nH]1 ZINC000380172863 538986793 /nfs/dbraw/zinc/98/67/93/538986793.db2.gz DXOTUDRXVBZBLZ-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2coc(CN)c2)C1 ZINC000187424360 342827711 /nfs/dbraw/zinc/82/77/11/342827711.db2.gz WSVNMQPKLKPBMM-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN O=C(NCCC1CC1)c1[nH]nc2c1CCCCC2 ZINC000190513382 538989749 /nfs/dbraw/zinc/98/97/49/538989749.db2.gz IGNLDNUQHYQNJV-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN Cc1ccc(C[N@@H+](C)CC2CC(O)C2)cc1F ZINC000191156742 538991652 /nfs/dbraw/zinc/99/16/52/538991652.db2.gz KZMHKUJSFKPBDN-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191618695 538992962 /nfs/dbraw/zinc/99/29/62/538992962.db2.gz QTRVQFUXKURGLZ-NSHDSACASA-N 0 1 222.307 2.356 20 0 BEADMN CCN1CCN(c2ccccc2F)C[C@@H]1C ZINC000191618695 538992963 /nfs/dbraw/zinc/99/29/63/538992963.db2.gz QTRVQFUXKURGLZ-NSHDSACASA-N 0 1 222.307 2.356 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000188845976 538979629 /nfs/dbraw/zinc/97/96/29/538979629.db2.gz HLGFNCSTBOFFKC-PWSUYJOCSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000188846003 538979821 /nfs/dbraw/zinc/97/98/21/538979821.db2.gz HLGFNCSTBOFFKC-JQWIXIFHSA-N 0 1 235.331 2.037 20 0 BEADMN CCOC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)C(C)C ZINC000189345175 538982226 /nfs/dbraw/zinc/98/22/26/538982226.db2.gz LEZHVAVCUPIDFW-ZWNOBZJWSA-N 0 1 239.363 2.430 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649498822 398293831 /nfs/dbraw/zinc/29/38/31/398293831.db2.gz ZEYOIGBMMGNZDX-GFCCVEGCSA-N 0 1 233.359 2.451 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000381529011 539003065 /nfs/dbraw/zinc/00/30/65/539003065.db2.gz YCYHTKWULJSATC-LLVKDONJSA-N 0 1 223.247 2.047 20 0 BEADMN C[C@H](NC(C)(C)C(F)F)[C@@H]1CCOC1 ZINC000381562761 539003807 /nfs/dbraw/zinc/00/38/07/539003807.db2.gz UUOCAGCBVFIQBX-JGVFFNPUSA-N 0 1 207.264 2.045 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC1(C2CC2)CCC1 ZINC000193659810 539007092 /nfs/dbraw/zinc/00/70/92/539007092.db2.gz LYFKGMYCMZIWDY-UHFFFAOYSA-N 0 1 247.342 2.039 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@H]1CC12CCCCC2 ZINC000193742515 539007745 /nfs/dbraw/zinc/00/77/45/539007745.db2.gz CBNWVNNLJXLHFK-LBPRGKRZSA-N 0 1 247.342 2.181 20 0 BEADMN CCC(C)(C)CCN[C@H](C)c1ncn(C)n1 ZINC000381047920 538994734 /nfs/dbraw/zinc/99/47/34/538994734.db2.gz DPCBSBIXNPJECH-SNVBAGLBSA-N 0 1 224.352 2.292 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000036885990 398296223 /nfs/dbraw/zinc/29/62/23/398296223.db2.gz HJIJLAORFCDOSR-UHFFFAOYSA-N 0 1 237.274 2.122 20 0 BEADMN CC[C@H](C(=O)Nc1csc(C)c1)N(C)C ZINC000634424875 361948849 /nfs/dbraw/zinc/94/88/49/361948849.db2.gz MZDWWYZKROVBTI-SNVBAGLBSA-N 0 1 226.345 2.335 20 0 BEADMN CSc1ccc(NCc2[nH]ncc2C)cn1 ZINC000381350135 538998907 /nfs/dbraw/zinc/99/89/07/538998907.db2.gz BMKPUMDCNIWRHB-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(C)CCC2)[C@H](C(=O)[O-])C1 ZINC000309733911 342839657 /nfs/dbraw/zinc/83/96/57/342839657.db2.gz FYCIQRZXACJJIF-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@@]2(C)CCCO2)s1 ZINC000309737542 342839936 /nfs/dbraw/zinc/83/99/36/342839936.db2.gz CQJCRKPBZRINKK-ZYHUDNBSSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2ccccn2)s1 ZINC000391892433 398297672 /nfs/dbraw/zinc/29/76/72/398297672.db2.gz FHYKIQQQRNFCMP-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN Cc1nnc([C@H](C)NCCc2ccccn2)s1 ZINC000391892436 398297689 /nfs/dbraw/zinc/29/76/89/398297689.db2.gz FHYKIQQQRNFCMP-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000335633747 136241927 /nfs/dbraw/zinc/24/19/27/136241927.db2.gz LNYFPZZREYYYLL-VXGBXAGGSA-N 0 1 223.316 2.181 20 0 BEADMN CC=CCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000624199035 342841261 /nfs/dbraw/zinc/84/12/61/342841261.db2.gz DXPXVKCEWZTYCE-MXQLGCADSA-N 0 1 234.328 2.121 20 0 BEADMN CC1(C)CCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649505839 398300348 /nfs/dbraw/zinc/30/03/48/398300348.db2.gz URJXFPOXVWIOBD-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN CC[C@H]1CCCCN1Cc1cncc(OC)n1 ZINC000625065747 342847971 /nfs/dbraw/zinc/84/79/71/342847971.db2.gz QPVIEYVHPCSHSX-LBPRGKRZSA-N 0 1 235.331 2.250 20 0 BEADMN CC(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000012251343 342848399 /nfs/dbraw/zinc/84/83/99/342848399.db2.gz ACJRUUPSCHLQPR-UHFFFAOYSA-N 0 1 249.289 2.017 20 0 BEADMN CCC(CC)[C@@H](O)CNCc1nc(C)cs1 ZINC000117385999 168402769 /nfs/dbraw/zinc/40/27/69/168402769.db2.gz ZAICPGFLSGPHDC-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN Cc1cc(CNCCOc2ccc(C)cc2)on1 ZINC000608517422 398302964 /nfs/dbraw/zinc/30/29/64/398302964.db2.gz WVJCBXYUEIJPJT-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1ccc(CCC[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000583999606 342866152 /nfs/dbraw/zinc/86/61/52/342866152.db2.gz QOVIROIMRYBSMZ-UHFFFAOYSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@H](CC1CCOCC1)NCC(C)(F)F ZINC000382101593 398305217 /nfs/dbraw/zinc/30/52/17/398305217.db2.gz GWTHMMSMPMGDME-SECBINFHSA-N 0 1 221.291 2.436 20 0 BEADMN CSC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134566980 342868652 /nfs/dbraw/zinc/86/86/52/342868652.db2.gz WMIKCULEPOCKKB-YUMQZZPRSA-N 0 1 213.350 2.120 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCc1ccccc1 ZINC000092940234 398307674 /nfs/dbraw/zinc/30/76/74/398307674.db2.gz MYMNNABFFJZYLD-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN CS[C@@H]1CCCCN(Cc2cocn2)C1 ZINC000191950548 398310590 /nfs/dbraw/zinc/31/05/90/398310590.db2.gz IXPZOZCHOGNKIY-LLVKDONJSA-N 0 1 226.345 2.392 20 0 BEADMN CC(=O)Nc1ccc(SCc2c[nH]nn2)cc1 ZINC000352152999 398315923 /nfs/dbraw/zinc/31/59/23/398315923.db2.gz KNJMTTFTXCYBAC-UHFFFAOYSA-N 0 1 248.311 2.055 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccn2)C1 ZINC000232753941 342880039 /nfs/dbraw/zinc/88/00/39/342880039.db2.gz VFPQERRUNCEPNZ-AWEZNQCLSA-N 0 1 248.326 2.014 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCS[C@@H](CC)C1 ZINC000222162148 349634946 /nfs/dbraw/zinc/63/49/46/349634946.db2.gz UJNPONJUHAFQHW-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN CN1CCN(c2nc(Cl)cs2)CC1(C)C ZINC000165190499 342880860 /nfs/dbraw/zinc/88/08/60/342880860.db2.gz UDHGHAVOBBTNHM-UHFFFAOYSA-N 0 1 245.779 2.327 20 0 BEADMN CCC1(C)CCN(Cc2cncc(OC)n2)CC1 ZINC000625127636 342881073 /nfs/dbraw/zinc/88/10/73/342881073.db2.gz MKFRHRPDTPFQKQ-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CCC1(CC)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000336475778 398319801 /nfs/dbraw/zinc/31/98/01/398319801.db2.gz UVENGJATVDDTJM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)CCCC(=O)N1CCc2nc[nH]c2C1 ZINC000627372878 398320119 /nfs/dbraw/zinc/32/01/19/398320119.db2.gz ZFHIKKBMECQPHB-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN COc1cncc(CN2CCC(C)(C)CC2)n1 ZINC000625131266 342884587 /nfs/dbraw/zinc/88/45/87/342884587.db2.gz LXSCFIFCNRBCAX-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])C1CCCC1 ZINC000035433029 342889489 /nfs/dbraw/zinc/88/94/89/342889489.db2.gz JSCATUBBIGEMMW-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000036787677 342911192 /nfs/dbraw/zinc/91/11/92/342911192.db2.gz VEFJJLRZFRNNBH-SECBINFHSA-N 0 1 225.288 2.454 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000260005302 349638907 /nfs/dbraw/zinc/63/89/07/349638907.db2.gz KCTMNJHRHDDJMJ-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000234291115 342918408 /nfs/dbraw/zinc/91/84/08/342918408.db2.gz UJJRWKGUEFEHSD-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCC2(CCC2)C1 ZINC000625223175 342919971 /nfs/dbraw/zinc/91/99/71/342919971.db2.gz KVJOFMZBCRRGOE-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H](c1ccccc1F)N1CCc2n[nH]nc2C1 ZINC000351610435 136248335 /nfs/dbraw/zinc/24/83/35/136248335.db2.gz VWTJNXJGAZZGLM-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000260142372 349648472 /nfs/dbraw/zinc/64/84/72/349648472.db2.gz QLTUZPBUMAUVII-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1nc2ccccc2o1 ZINC000634586064 342931128 /nfs/dbraw/zinc/93/11/28/342931128.db2.gz AQDPVSGJABOLNB-QMMMGPOBSA-N 0 1 241.250 2.331 20 0 BEADMN Cc1cc(CNCCSC(C)C)on1 ZINC000308546588 346882908 /nfs/dbraw/zinc/88/29/08/346882908.db2.gz OCGPVSONPFHBHO-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CC(C)(C)C)[nH]c21 ZINC000634588372 342933948 /nfs/dbraw/zinc/93/39/48/342933948.db2.gz QHPFDPPMNBLFIG-RKDXNWHRSA-N 0 1 208.305 2.277 20 0 BEADMN CC(C)(C)Cn1[nH]c(C2(C)CC2)cc1=O ZINC000634588252 342934010 /nfs/dbraw/zinc/93/40/10/342934010.db2.gz NGCQCPUALWGPDI-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN COC(=O)c1[nH]c(CN2[C@@H](C)C[C@@H]2C)cc1C ZINC000602647042 349657724 /nfs/dbraw/zinc/65/77/24/349657724.db2.gz GDWWHTVZGWKKFG-UWVGGRQHSA-N 0 1 236.315 2.092 20 0 BEADMN CC[C@@H](C)N(CC(=O)OC)C[C@](C)(CC)OC ZINC000602647193 349657868 /nfs/dbraw/zinc/65/78/68/349657868.db2.gz IUFTZIFTDHDYHK-YPMHNXCESA-N 0 1 245.363 2.075 20 0 BEADMN Cc1cc(CN)oc1-c1nc(C(C)(C)C)no1 ZINC000634553839 398331246 /nfs/dbraw/zinc/33/12/46/398331246.db2.gz IQJPZVKQHDSGRK-UHFFFAOYSA-N 0 1 235.287 2.394 20 0 BEADMN CSCCCN(C)Cc1ccns1 ZINC000602656177 349662085 /nfs/dbraw/zinc/66/20/85/349662085.db2.gz NAIRHOXIFLBNGJ-UHFFFAOYSA-N 0 1 216.375 2.328 20 0 BEADMN Cc1nc([C@H]2CCCCN2CC[C@H](C)F)n[nH]1 ZINC000351729260 136250225 /nfs/dbraw/zinc/25/02/25/136250225.db2.gz FBUWGSQLVBYYKQ-GXSJLCMTSA-N 0 1 240.326 2.388 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@@H]2CC)[nH]1 ZINC000602671601 349665867 /nfs/dbraw/zinc/66/58/67/349665867.db2.gz VIDJGZZUGUWJJL-NSHDSACASA-N 0 1 236.315 2.176 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(Cc2cccnc2)[nH]1 ZINC000634592843 342946448 /nfs/dbraw/zinc/94/64/48/342946448.db2.gz WLFSUIMZQMARHZ-SNVBAGLBSA-N 0 1 231.299 2.216 20 0 BEADMN O=c1c2c([nH]n1CC1CCCC1)CCSC2 ZINC000634591666 342943813 /nfs/dbraw/zinc/94/38/13/342943813.db2.gz JXQXRCPUPBDQRG-SNVBAGLBSA-N 0 1 238.356 2.128 20 0 BEADMN C[C@]1(c2nc(C3(N)CCCCC3)no2)C[C@H]1F ZINC000335619370 398341901 /nfs/dbraw/zinc/34/19/01/398341901.db2.gz WXTAXYDHMAPZPS-KCJUWKMLSA-N 0 1 239.294 2.187 20 0 BEADMN O=c1cc(C2CC2)[nH]n1CC1CCCC1 ZINC000634591836 342943902 /nfs/dbraw/zinc/94/39/02/342943902.db2.gz POLRMAHYEIUIGF-UHFFFAOYSA-N 0 1 206.289 2.175 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(F)cc1 ZINC000335622066 398342013 /nfs/dbraw/zinc/34/20/13/398342013.db2.gz KMVPBFLPBJEABR-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN C[C@H]1CCC2=NN(c3ccncc3)C(=O)[C@H]2C1 ZINC000634592057 342944076 /nfs/dbraw/zinc/94/40/76/342944076.db2.gz WJUWHRMANAGITA-ONGXEEELSA-N 0 1 229.283 2.220 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3)c(=O)c2C1 ZINC000634592057 342944078 /nfs/dbraw/zinc/94/40/78/342944078.db2.gz WJUWHRMANAGITA-ONGXEEELSA-N 0 1 229.283 2.220 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)N(C)C ZINC000635650259 398344263 /nfs/dbraw/zinc/34/42/63/398344263.db2.gz WJOOKWDAWJLSFY-IJLUTSLNSA-N 0 1 240.391 2.268 20 0 BEADMN CS[C@H]1CCN(Cc2ccns2)C1 ZINC000602679897 349672798 /nfs/dbraw/zinc/67/27/98/349672798.db2.gz MNUDMUTYUGCUFE-QMMMGPOBSA-N 0 1 214.359 2.080 20 0 BEADMN CCCN1N=C(c2cccc(OC)c2)[C@H](C)C1=O ZINC000634592327 342946114 /nfs/dbraw/zinc/94/61/14/342946114.db2.gz GHPORBKUKOCDTA-JTQLQIEISA-N 0 1 246.310 2.288 20 0 BEADMN COCC1(C)CCN(Cc2cnc(C)nc2)CC1 ZINC000351761903 136252437 /nfs/dbraw/zinc/25/24/37/136252437.db2.gz YDLYHACJAXWPGX-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)CC[C@H]3C)cc1 ZINC000634593575 342951380 /nfs/dbraw/zinc/95/13/80/342951380.db2.gz SVKSSCDGLNFVBE-BXKDBHETSA-N 0 1 244.294 2.444 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nc(C2CC2)nn1C ZINC000516924368 259333658 /nfs/dbraw/zinc/33/36/58/259333658.db2.gz KZBJIFHIXXXXBX-JQWIXIFHSA-N 0 1 248.374 2.313 20 0 BEADMN CCc1cc(C(=O)NCc2cnc[nH]2)oc1CC ZINC000488199243 529518538 /nfs/dbraw/zinc/51/85/38/529518538.db2.gz PINCMNXKYJYNTB-UHFFFAOYSA-N 0 1 247.298 2.058 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2N(C)C)[nH]1 ZINC000634595430 342960266 /nfs/dbraw/zinc/96/02/66/342960266.db2.gz BBHNWKFEJLWBCU-UHFFFAOYSA-N 0 1 245.326 2.251 20 0 BEADMN CC[C@@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000634729925 344019027 /nfs/dbraw/zinc/01/90/27/344019027.db2.gz CFGXPNHVZXWYMV-VXGBXAGGSA-N 0 1 229.270 2.197 20 0 BEADMN Cc1nccc(N(C)Cc2cnccn2)c1Cl ZINC000353146668 187208574 /nfs/dbraw/zinc/20/85/74/187208574.db2.gz BVFUNRCDPDTLJC-UHFFFAOYSA-N 0 1 248.717 2.470 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC1CCCC1 ZINC000354271902 187209996 /nfs/dbraw/zinc/20/99/96/187209996.db2.gz NCXITYODGSKYKY-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(OC)cc2)[nH]1 ZINC000634597357 342973960 /nfs/dbraw/zinc/97/39/60/342973960.db2.gz HVFYCQCNNJNJOR-UHFFFAOYSA-N 0 1 232.283 2.194 20 0 BEADMN COCc1cc(CNCC2CC(C)(C)C2)no1 ZINC000562685733 323027602 /nfs/dbraw/zinc/02/76/02/323027602.db2.gz WVTLXXKQKZCOGD-UHFFFAOYSA-N 0 1 238.331 2.347 20 0 BEADMN CC1(c2cc(=O)n(CCc3ccncc3)[nH]2)CC1 ZINC000634600161 342991169 /nfs/dbraw/zinc/99/11/69/342991169.db2.gz YWONRLLLFLDIIH-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN CCCC1=NN(c2ccncn2)C(=O)[C@@H]1CC ZINC000634600542 342993366 /nfs/dbraw/zinc/99/33/66/342993366.db2.gz KTNKPXDRIXPXHU-SECBINFHSA-N 0 1 232.287 2.006 20 0 BEADMN C[C@H](C1CC1)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634597925 342978150 /nfs/dbraw/zinc/97/81/50/342978150.db2.gz YUXAOXRNJUOXJP-KKZNHRDASA-N 0 1 220.316 2.419 20 0 BEADMN C[C@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC000335900605 136259110 /nfs/dbraw/zinc/25/91/10/136259110.db2.gz PLEGCHRITWSJIO-PHIMTYICSA-N 0 1 236.363 2.121 20 0 BEADMN CC(C)N(CC(=O)N1CCC1)Cc1ccccc1 ZINC000356477357 187213588 /nfs/dbraw/zinc/21/35/88/187213588.db2.gz VKMBUBZHPOKVFV-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CCc1c(C)[nH]n(-c2ccncc2C)c1=O ZINC000634605957 343001404 /nfs/dbraw/zinc/00/14/04/343001404.db2.gz CHALJFJLVUNTEJ-SNVBAGLBSA-N 0 1 217.272 2.139 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000634606500 343001810 /nfs/dbraw/zinc/00/18/10/343001810.db2.gz UNMJKFUHNKNQGV-UFBFGSQYSA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(C(=O)CN2CCC[C@@H]2C)c(C)[nH]1 ZINC000037911708 343001994 /nfs/dbraw/zinc/00/19/94/343001994.db2.gz KEEJPGCXQQHWJE-JTQLQIEISA-N 0 1 220.316 2.299 20 0 BEADMN CCC[C@H]1C(C)=NN(c2cccc(OC)n2)C1=O ZINC000634611599 343008644 /nfs/dbraw/zinc/00/86/44/343008644.db2.gz YUNYTHDMBCQLHF-JTQLQIEISA-N 0 1 247.298 2.229 20 0 BEADMN C[C@H]1CN(Cc2cncn2C)C[C@H](C)C1(F)F ZINC000625651375 344023846 /nfs/dbraw/zinc/02/38/46/344023846.db2.gz SDRYUWLGNBZAIU-UWVGGRQHSA-N 0 1 243.301 2.143 20 0 BEADMN CCN(C#N)CCN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000602821506 349762371 /nfs/dbraw/zinc/76/23/71/349762371.db2.gz NYRYEGIIXIEQOZ-NXEZZACHSA-N 0 1 249.280 2.062 20 0 BEADMN O=c1cc(CCc2ccccc2)[nH]n1C1CC1 ZINC000634618084 343016291 /nfs/dbraw/zinc/01/62/91/343016291.db2.gz GHJFIUPUKBMPQA-UHFFFAOYSA-N 0 1 228.295 2.370 20 0 BEADMN O=C1CC(c2ccc(Cl)cc2)=NN1C1CC1 ZINC000634618463 343016306 /nfs/dbraw/zinc/01/63/06/343016306.db2.gz RTXFIOJJWQURLL-UHFFFAOYSA-N 0 1 234.686 2.439 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)ccn1 ZINC000634619150 343017958 /nfs/dbraw/zinc/01/79/58/343017958.db2.gz QFXSAROSHYYNKI-QPUJVOFHSA-N 0 1 229.283 2.139 20 0 BEADMN CCNC(=O)CN1CCC[C@@H]1c1ccsc1 ZINC000046088520 343018811 /nfs/dbraw/zinc/01/88/11/343018811.db2.gz BVMNZXDVRYMCTJ-LLVKDONJSA-N 0 1 238.356 2.021 20 0 BEADMN CCC(CC)Cn1[nH]c([C@@H]2CCOC2)cc1=O ZINC000634621969 343020902 /nfs/dbraw/zinc/02/09/02/343020902.db2.gz UNSSBTNZQXHPFZ-LLVKDONJSA-N 0 1 238.331 2.047 20 0 BEADMN CCC(CC)Cn1[nH]c2c(c1=O)CSCC2 ZINC000634621323 343021494 /nfs/dbraw/zinc/02/14/94/343021494.db2.gz FMFZTFXUZUFDDB-SNVBAGLBSA-N 0 1 240.372 2.374 20 0 BEADMN CC[C@H](C)n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634624049 343024616 /nfs/dbraw/zinc/02/46/16/343024616.db2.gz WPSXOUCQYKBUQH-LPEHRKFASA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634624049 343024618 /nfs/dbraw/zinc/02/46/18/343024618.db2.gz WPSXOUCQYKBUQH-LPEHRKFASA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)n1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC000634624047 343024883 /nfs/dbraw/zinc/02/48/83/343024883.db2.gz WPSXOUCQYKBUQH-GUBZILKMSA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634624047 343024885 /nfs/dbraw/zinc/02/48/85/343024885.db2.gz WPSXOUCQYKBUQH-GUBZILKMSA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@@H](C)N1N=C2c3ccccc3C[C@H]2C1=O ZINC000634623306 343027168 /nfs/dbraw/zinc/02/71/68/343027168.db2.gz CFKRBTQFUICECQ-BXKDBHETSA-N 0 1 228.295 2.204 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CCC(F)(F)C1 ZINC000383982037 343011629 /nfs/dbraw/zinc/01/16/29/343011629.db2.gz KFEXRSLLPUFTHG-VIFPVBQESA-N 0 1 244.289 2.136 20 0 BEADMN CCN(C#N)CCN1CC[C@@H](CC(F)(F)F)C1 ZINC000602816138 349758869 /nfs/dbraw/zinc/75/88/69/349758869.db2.gz APQOBMDXVOLSEY-JTQLQIEISA-N 0 1 249.280 2.064 20 0 BEADMN C[C@@H](n1[nH]c(C2CCC2)cc1=O)C(F)(F)F ZINC000634631319 343041805 /nfs/dbraw/zinc/04/18/05/343041805.db2.gz QVCVFBQSJPHYJK-ZCFIWIBFSA-N 0 1 234.221 2.326 20 0 BEADMN CCc1nc(CN2CCC(C)(C3CC3)CC2)n[nH]1 ZINC000352176835 136263530 /nfs/dbraw/zinc/26/35/30/136263530.db2.gz VBWPQLCFMQUURW-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN Cc1[nH]n([C@H]2CCCC2(C)C)c(=O)c1C ZINC000634625786 343030276 /nfs/dbraw/zinc/03/02/76/343030276.db2.gz NQQVWVGIHAZWAD-SCZZXKLOSA-N 0 1 208.305 2.419 20 0 BEADMN Cc1[nH]n([C@@H]2CCCC2(C)C)c(=O)c1C ZINC000634625785 343030288 /nfs/dbraw/zinc/03/02/88/343030288.db2.gz NQQVWVGIHAZWAD-PSASIEDQSA-N 0 1 208.305 2.419 20 0 BEADMN CCCCC1=NN(CCCOC)C(=O)[C@@H]1C ZINC000634625817 343030614 /nfs/dbraw/zinc/03/06/14/343030614.db2.gz OKKNQOMSVOYFNX-SNVBAGLBSA-N 0 1 226.320 2.047 20 0 BEADMN CCCCc1[nH]n(CCCOC)c(=O)c1C ZINC000634625817 343030616 /nfs/dbraw/zinc/03/06/16/343030616.db2.gz OKKNQOMSVOYFNX-SNVBAGLBSA-N 0 1 226.320 2.047 20 0 BEADMN CCCCc1cc(=O)n([C@@H]2CCSC2)[nH]1 ZINC000634627508 343033280 /nfs/dbraw/zinc/03/32/80/343033280.db2.gz DXIBQZFRSCIHNI-SNVBAGLBSA-N 0 1 226.345 2.270 20 0 BEADMN CCCc1cc(=O)n(C[C@H]2CCSC2)[nH]1 ZINC000634629064 343035922 /nfs/dbraw/zinc/03/59/22/343035922.db2.gz LVGSFUCLTFXZFZ-SECBINFHSA-N 0 1 226.345 2.128 20 0 BEADMN CCCCc1cc(=O)n(CCCn2ccnc2)[nH]1 ZINC000634633250 343044941 /nfs/dbraw/zinc/04/49/41/343044941.db2.gz PIKHMVGSQSFQBY-UHFFFAOYSA-N 0 1 248.330 2.052 20 0 BEADMN O=C1[C@H]2CCCCC2=NN1c1ccncc1F ZINC000634634330 343047450 /nfs/dbraw/zinc/04/74/50/343047450.db2.gz VFOIBATYICMHNZ-QMMMGPOBSA-N 0 1 233.246 2.114 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1F)CCCC2 ZINC000634634330 343047452 /nfs/dbraw/zinc/04/74/52/343047452.db2.gz VFOIBATYICMHNZ-QMMMGPOBSA-N 0 1 233.246 2.114 20 0 BEADMN CCSCC[NH+]1CCN(CC(C)C)CC1 ZINC000172687895 323031984 /nfs/dbraw/zinc/03/19/84/323031984.db2.gz XQZKLDNPJHJQAC-UHFFFAOYSA-N 0 1 230.421 2.013 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nc(C)cs2)C1(C)C ZINC000227830186 536802458 /nfs/dbraw/zinc/80/24/58/536802458.db2.gz ZARQAPNTGPYULT-ZJUUUORDSA-N 0 1 240.372 2.355 20 0 BEADMN CCCCN(C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000022910519 343056578 /nfs/dbraw/zinc/05/65/78/343056578.db2.gz HBBWKBQMQASRLX-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(Cl)cc1 ZINC000037990292 187229930 /nfs/dbraw/zinc/22/99/30/187229930.db2.gz JWZMLOWUTGCRDP-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN CC(C)c1noc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000176253024 365697989 /nfs/dbraw/zinc/69/79/89/365697989.db2.gz DSOZSLDVKIJTKR-QWRGUYRKSA-N 0 1 235.331 2.425 20 0 BEADMN C[C@H](Cc1ccc(O)cc1)NCc1cocn1 ZINC000192307934 187228934 /nfs/dbraw/zinc/22/89/34/187228934.db2.gz YWXPJNNFQIWIES-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN FC(F)C1(c2nc([C@@H]3CCCN3)no2)CCC1 ZINC000634557404 362048622 /nfs/dbraw/zinc/04/86/22/362048622.db2.gz WKLOZIUCQBFWGL-ZETCQYMHSA-N 0 1 243.257 2.181 20 0 BEADMN FC(F)C1(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000634557403 362049089 /nfs/dbraw/zinc/04/90/89/362049089.db2.gz WKLOZIUCQBFWGL-SSDOTTSWSA-N 0 1 243.257 2.181 20 0 BEADMN C[S@](=O)c1ccc(CNCC2(F)CC2)cc1 ZINC000309917695 343093619 /nfs/dbraw/zinc/09/36/19/343093619.db2.gz QFVNFVKGFSANJG-INIZCTEOSA-N 0 1 241.331 2.016 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1scnc1C1CC1 ZINC000309913431 343094492 /nfs/dbraw/zinc/09/44/92/343094492.db2.gz OBTXAVWCNGUBEO-ZJUUUORDSA-N 0 1 238.356 2.288 20 0 BEADMN CSCCN[C@H](C)c1nccs1 ZINC000083143447 343095074 /nfs/dbraw/zinc/09/50/74/343095074.db2.gz AQDBDKKMGIVHPP-SSDOTTSWSA-N 0 1 202.348 2.157 20 0 BEADMN COC[C@H](C)Oc1ccc(CNCCF)cc1 ZINC000668099879 488203243 /nfs/dbraw/zinc/20/32/43/488203243.db2.gz XTVVCJXAWVNHSW-NSHDSACASA-N 0 1 241.306 2.159 20 0 BEADMN CC[C@H](C)n1cc([C@H](N)c2ccccc2)nn1 ZINC000640939586 362078678 /nfs/dbraw/zinc/07/86/78/362078678.db2.gz TXQVNRFHFNXESH-GXFFZTMASA-N 0 1 230.315 2.297 20 0 BEADMN CC[C@@H](C)n1cc([C@H](N)c2ccccc2)nn1 ZINC000640939588 362079055 /nfs/dbraw/zinc/07/90/55/362079055.db2.gz TXQVNRFHFNXESH-ZWNOBZJWSA-N 0 1 230.315 2.297 20 0 BEADMN CC(=O)Nc1ccc(CN[C@@H](C)CF)cc1 ZINC000288523117 187240617 /nfs/dbraw/zinc/24/06/17/187240617.db2.gz UWDCBLXEHNWXKL-VIFPVBQESA-N 0 1 224.279 2.093 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C[C@@H]1C ZINC000130279273 343180682 /nfs/dbraw/zinc/18/06/82/343180682.db2.gz SHCJGORTJVWIHS-MNOVXSKESA-N 0 1 248.326 2.258 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(C)CCCCC1 ZINC000576955011 365730628 /nfs/dbraw/zinc/73/06/28/365730628.db2.gz VCZGXJBHTYFSGK-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])cn1 ZINC000094762092 343157157 /nfs/dbraw/zinc/15/71/57/343157157.db2.gz YMJULYPHSKBAHF-UHFFFAOYSA-N 0 1 236.315 2.402 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C1CCCC1 ZINC000094762150 343157214 /nfs/dbraw/zinc/15/72/14/343157214.db2.gz RLIILPIBCHMUEX-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])cn1)CC(C)C ZINC000094762160 343157236 /nfs/dbraw/zinc/15/72/36/343157236.db2.gz ARFVIADWZDGIGF-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN Cc1nc2c(n1CCC(C)(C)O)CCCC2 ZINC000127362730 343169202 /nfs/dbraw/zinc/16/92/02/343169202.db2.gz KANPTCNPPLAUFK-UHFFFAOYSA-N 0 1 222.332 2.231 20 0 BEADMN C[C@H]1Cc2[nH+]cn(CCCC(=O)[O-])c2C[C@@H]1C ZINC000379925216 365737124 /nfs/dbraw/zinc/73/71/24/365737124.db2.gz SBHDFRKVRCRKLJ-UWVGGRQHSA-N 0 1 236.315 2.119 20 0 BEADMN CCOC(=O)CN1C[C@@H](CC)CC[C@@H]1C ZINC000308886985 346929816 /nfs/dbraw/zinc/92/98/16/346929816.db2.gz XBPSITYTRYXBKB-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1Cc2c([nH+]cn2CCCC(=O)[O-])C[C@@H]1C ZINC000379925217 365737413 /nfs/dbraw/zinc/73/74/13/365737413.db2.gz SBHDFRKVRCRKLJ-VHSXEESVSA-N 0 1 236.315 2.119 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000158011093 343200248 /nfs/dbraw/zinc/20/02/48/343200248.db2.gz YBNMSTJXFWXJLK-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000167588842 343209022 /nfs/dbraw/zinc/20/90/22/343209022.db2.gz UFFDFQBADIEJQN-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])C[N@@H+](C1CCCC1)[C@@H]1C=CCCC1 ZINC000167796159 343209560 /nfs/dbraw/zinc/20/95/60/343209560.db2.gz NQZPPLOLBRCHPM-LLVKDONJSA-N 0 1 223.316 2.424 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000166409458 343213146 /nfs/dbraw/zinc/21/31/46/343213146.db2.gz KVSUJUCJOXPIIS-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN CCO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](F)C1)C1CC1 ZINC000625314292 343230914 /nfs/dbraw/zinc/23/09/14/343230914.db2.gz OAUVRBUMFHBJPR-KGYLQXTDSA-N 0 1 229.339 2.481 20 0 BEADMN c1nc(C2CC2)oc1CN1CC(C2CC2)C1 ZINC000628288814 346931923 /nfs/dbraw/zinc/93/19/23/346931923.db2.gz UIUZYUJNVXRMSK-UHFFFAOYSA-N 0 1 218.300 2.394 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330407 343256312 /nfs/dbraw/zinc/25/63/12/343256312.db2.gz XAPSSVHCTZSQOK-VIFPVBQESA-N 0 1 225.288 2.454 20 0 BEADMN CCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000034424002 343270843 /nfs/dbraw/zinc/27/08/43/343270843.db2.gz DBOOZQBNVHCLAG-UHFFFAOYSA-N 0 1 232.287 2.477 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000634690324 343274363 /nfs/dbraw/zinc/27/43/63/343274363.db2.gz IRAAOSHAZZDBLD-LBPRGKRZSA-N 0 1 237.299 2.163 20 0 BEADMN CC[C@@H]1C[C@H](NCc2cscn2)CCO1 ZINC000069891439 343293757 /nfs/dbraw/zinc/29/37/57/343293757.db2.gz SRQFIPZBLWTPCV-MWLCHTKSSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000035602023 343298963 /nfs/dbraw/zinc/29/89/63/343298963.db2.gz TXJSXJBJZNAVJK-WFASDCNBSA-N 0 1 242.322 2.141 20 0 BEADMN C=Cn1cc(CN2CC(C3CCC3)C2)cn1 ZINC000348716704 136294340 /nfs/dbraw/zinc/29/43/40/136294340.db2.gz SVXSEYHBZZHGSZ-UHFFFAOYSA-N 0 1 217.316 2.216 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCCC1CCC1 ZINC000618614154 343312520 /nfs/dbraw/zinc/31/25/20/343312520.db2.gz FFCLAKMNZDOIEW-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1noc([C@@H]2CCCN2C[C@@H]2C[C@H]2C)n1 ZINC000348817329 136299148 /nfs/dbraw/zinc/29/91/48/136299148.db2.gz OBAQNKKTXJQIFZ-MIMYLULJSA-N 0 1 221.304 2.171 20 0 BEADMN N[C@@H](c1cn(CCC2CC2)nn1)c1ccccc1 ZINC000641065667 362172511 /nfs/dbraw/zinc/17/25/11/362172511.db2.gz JVHILSDWRZIMEJ-CQSZACIVSA-N 0 1 242.326 2.126 20 0 BEADMN CC(C)CN(CC(=O)OC(C)(C)C)C1CC1 ZINC000078518047 343371781 /nfs/dbraw/zinc/37/17/81/343371781.db2.gz WMXQVQXXQAZCFF-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN CCSCCN1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000602873975 349805469 /nfs/dbraw/zinc/80/54/69/349805469.db2.gz LOLVOANCCVYBJG-TXEJJXNPSA-N 0 1 230.421 2.154 20 0 BEADMN CCC1(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000297370789 168436397 /nfs/dbraw/zinc/43/63/97/168436397.db2.gz VUZXIVNTKJMHDS-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc2c(C)cccn12 ZINC000348838174 136302361 /nfs/dbraw/zinc/30/23/61/136302361.db2.gz NGFPWLZDKKHKKX-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN COc1ccc(F)c(CNCc2[nH]ncc2C)c1 ZINC000621375956 343378420 /nfs/dbraw/zinc/37/84/20/343378420.db2.gz LJQGARWTPFEHKP-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nnc(C)o2)C1 ZINC000335651949 136305219 /nfs/dbraw/zinc/30/52/19/136305219.db2.gz BYNRXDDWASLOLR-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN CC1CN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000335675308 136318416 /nfs/dbraw/zinc/31/84/16/136318416.db2.gz FNIOLRIREGGLLJ-UHFFFAOYSA-N 0 1 221.348 2.169 20 0 BEADMN CCCc1cccc(CN(C)Cc2nnc[nH]2)c1 ZINC000274857453 187337637 /nfs/dbraw/zinc/33/76/37/187337637.db2.gz QYFVETSIWJEGAU-UHFFFAOYSA-N 0 1 244.342 2.389 20 0 BEADMN CCc1ccccc1Cn1cc([C@H](C)NC)nn1 ZINC000641078062 362187116 /nfs/dbraw/zinc/18/71/16/362187116.db2.gz WQUSDLDIMZGFBD-NSHDSACASA-N 0 1 244.342 2.169 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc2c[nH]nc21 ZINC000335693189 136325792 /nfs/dbraw/zinc/32/57/92/136325792.db2.gz HXLHPFSUJIQVBY-RKDXNWHRSA-N 0 1 229.283 2.186 20 0 BEADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cc[nH]n1 ZINC000335697104 136327451 /nfs/dbraw/zinc/32/74/51/136327451.db2.gz UGXJDAMAGINHHC-SNVBAGLBSA-N 0 1 205.305 2.174 20 0 BEADMN CCc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC000335697614 136327634 /nfs/dbraw/zinc/32/76/34/136327634.db2.gz RQNCPTUNYRWQLU-OLZOCXBDSA-N 0 1 247.386 2.168 20 0 BEADMN CCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349155884 136327639 /nfs/dbraw/zinc/32/76/39/136327639.db2.gz CGBYVRZIXZPXIQ-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@H](C)NCc1cc(O)ccc1Cl ZINC000625401452 343413596 /nfs/dbraw/zinc/41/35/96/343413596.db2.gz SRSXDDUNTJVFNZ-QMMMGPOBSA-N 0 1 229.707 2.170 20 0 BEADMN CCOc1ccccc1CNCc1cnn(C)c1 ZINC000041158662 343416326 /nfs/dbraw/zinc/41/63/26/343416326.db2.gz QZOQCADVKARQGQ-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CN(Cc1ccc(O)cc1)Cc1cccnc1 ZINC000349408295 136344560 /nfs/dbraw/zinc/34/45/60/136344560.db2.gz OYLNOXNYSVUNDQ-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN Cc1ccc(-c2n[nH]cc2CN2CC(C)C2)o1 ZINC000335726665 136347642 /nfs/dbraw/zinc/34/76/42/136347642.db2.gz DLZKLCJIUFIPIK-UHFFFAOYSA-N 0 1 231.299 2.430 20 0 BEADMN CCNCc1cn(C[C@@H]2CCCC[C@H]2C)nn1 ZINC000641087942 362210620 /nfs/dbraw/zinc/21/06/20/362210620.db2.gz KKTFYYZWBJKZSO-NEPJUHHUSA-N 0 1 236.363 2.214 20 0 BEADMN CC1(C)CC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000335706961 136336039 /nfs/dbraw/zinc/33/60/39/136336039.db2.gz PLEVARODHXYTHK-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)CC2(C)C)nn1 ZINC000335712527 136337777 /nfs/dbraw/zinc/33/77/77/136337777.db2.gz XHCSSKADZCTLAJ-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN CCNCc1cn([C@@H](C)c2ccccc2C)nn1 ZINC000641080496 362196112 /nfs/dbraw/zinc/19/61/12/362196112.db2.gz ULMVYXSUZCTAGJ-LBPRGKRZSA-N 0 1 244.342 2.305 20 0 BEADMN CC(C)CONC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000276526794 187338963 /nfs/dbraw/zinc/33/89/63/187338963.db2.gz MHKKMYFGLREYKQ-LBPRGKRZSA-N 0 1 247.294 2.060 20 0 BEADMN Oc1cccc2c1C[C@@H](NCc1cscn1)C2 ZINC000335716779 136339345 /nfs/dbraw/zinc/33/93/45/136339345.db2.gz XJPWVWPYDFNYHS-JTQLQIEISA-N 0 1 246.335 2.106 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000042384131 343435544 /nfs/dbraw/zinc/43/55/44/343435544.db2.gz RWIARWRZLSSBAL-SNVBAGLBSA-N 0 1 247.323 2.449 20 0 BEADMN Cc1oncc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000335720073 136340983 /nfs/dbraw/zinc/34/09/83/136340983.db2.gz NBFWMPSTQYLCGW-LLVKDONJSA-N 0 1 206.289 2.215 20 0 BEADMN CC(C)n1cc(CN2[C@@H](C)C[C@@H]2C)cn1 ZINC000335850549 136355534 /nfs/dbraw/zinc/35/55/34/136355534.db2.gz VMCQJLTYWZOFTB-QWRGUYRKSA-N 0 1 207.321 2.447 20 0 BEADMN CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000350208061 136356607 /nfs/dbraw/zinc/35/66/07/136356607.db2.gz JFVAJORQZINOPI-VXGBXAGGSA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000335899255 136359927 /nfs/dbraw/zinc/35/99/27/136359927.db2.gz XSLZWLBDYHANLF-GFCCVEGCSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351806166 136370738 /nfs/dbraw/zinc/37/07/38/136370738.db2.gz DPPBTVWOOQQNKG-PTRXPTGYSA-N 0 1 241.281 2.338 20 0 BEADMN CNCc1cn(CC/C=C/c2ccccc2)nn1 ZINC000641138007 362233919 /nfs/dbraw/zinc/23/39/19/362233919.db2.gz HYMNKDHEXVRNFR-WEVVVXLNSA-N 0 1 242.326 2.101 20 0 BEADMN O=C([O-])[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000263517474 136374811 /nfs/dbraw/zinc/37/48/11/136374811.db2.gz PHPSZLJVQYDTOH-QMMMGPOBSA-N 0 1 248.307 2.207 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC[C@H](C)CC1 ZINC000577002387 365751754 /nfs/dbraw/zinc/75/17/54/365751754.db2.gz DSQKTXMDVSGAAK-QWRGUYRKSA-N 0 1 234.347 2.072 20 0 BEADMN CCN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000082784273 343466944 /nfs/dbraw/zinc/46/69/44/343466944.db2.gz RLODECJGINZMSI-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN C=Cn1cc(C[N@H+](C)CCCOC(C)C)cn1 ZINC000278195011 187340541 /nfs/dbraw/zinc/34/05/41/187340541.db2.gz INCQWDBRNSVMAH-UHFFFAOYSA-N 0 1 237.347 2.231 20 0 BEADMN CNCc1cn(C[C@H]2CCCCC2(C)C)nn1 ZINC000641160073 362245387 /nfs/dbraw/zinc/24/53/87/362245387.db2.gz JOVVVXPXHKTYKX-LLVKDONJSA-N 0 1 236.363 2.214 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000577006559 365756079 /nfs/dbraw/zinc/75/60/79/365756079.db2.gz YTVQWCPZWSHNHL-MCZMQQNQSA-N 0 1 249.354 2.384 20 0 BEADMN CC[C@H](C)C[C@@H](C)NCc1csnn1 ZINC000083863616 343507055 /nfs/dbraw/zinc/50/70/55/343507055.db2.gz RRBKBFVGZAPLTE-DTWKUNHWSA-N 0 1 213.350 2.452 20 0 BEADMN COc1ncccc1CN1CC[C@@H](C(F)F)C1 ZINC000683785393 488221964 /nfs/dbraw/zinc/22/19/64/488221964.db2.gz KRNDUSBVFAUNBF-SECBINFHSA-N 0 1 242.269 2.177 20 0 BEADMN C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@@]1(C)C(=O)[O-] ZINC000634693771 343539327 /nfs/dbraw/zinc/53/93/27/343539327.db2.gz ZEFPXQDETMFDJK-ZWNOBZJWSA-N 0 1 223.316 2.139 20 0 BEADMN CC[C@H]1CCCCN1Cc1nc(C)no1 ZINC000042243515 343543836 /nfs/dbraw/zinc/54/38/36/343543836.db2.gz SMDRNEMYWKWBRH-JTQLQIEISA-N 0 1 209.293 2.143 20 0 BEADMN CN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCOC1 ZINC000013568182 343576280 /nfs/dbraw/zinc/57/62/80/343576280.db2.gz JLMBXBXYJZLARK-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCC1CCC1)C1CC1 ZINC000398720284 488223714 /nfs/dbraw/zinc/22/37/14/488223714.db2.gz IJZNUFKPFZMTQD-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)CN(C)C1CCC1 ZINC000641162754 362247470 /nfs/dbraw/zinc/24/74/70/362247470.db2.gz SOXOCIOEGZAABF-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CCCCN(CC(N)=O)Cc1cccc(C)c1 ZINC000048047869 343570252 /nfs/dbraw/zinc/57/02/52/343570252.db2.gz AJZBYECCQWULRS-UHFFFAOYSA-N 0 1 234.343 2.082 20 0 BEADMN CCc1nnc(SC[C@H]2CCC[C@H](O)C2)[nH]1 ZINC000488229378 529744493 /nfs/dbraw/zinc/74/44/93/529744493.db2.gz GQQSFDPWJUOHOZ-IUCAKERBSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCC[C@H](O)C2)n1 ZINC000488229378 529744494 /nfs/dbraw/zinc/74/44/94/529744494.db2.gz GQQSFDPWJUOHOZ-IUCAKERBSA-N 0 1 241.360 2.010 20 0 BEADMN CCN(CC)C(=O)c1cccc2n[nH]cc21 ZINC000049065495 343592314 /nfs/dbraw/zinc/59/23/14/343592314.db2.gz CPDYDWANMHPSHG-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCC(CCF)CC1 ZINC000602947055 349818220 /nfs/dbraw/zinc/81/82/20/349818220.db2.gz HJUDSLIKZOJCNP-LBPRGKRZSA-N 0 1 243.322 2.010 20 0 BEADMN CCc1nc(CNC[C@H]2CCCCO2)cs1 ZINC000049832326 343606192 /nfs/dbraw/zinc/60/61/92/343606192.db2.gz PHMUVAUIHMUBGH-LLVKDONJSA-N 0 1 240.372 2.364 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(CCF)CC1 ZINC000602950308 349821333 /nfs/dbraw/zinc/82/13/33/349821333.db2.gz NHOXQZTWOQZQGY-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN CCNC(=O)C[N@@H+](CC)CCCc1ccccc1 ZINC000053096912 343643200 /nfs/dbraw/zinc/64/32/00/343643200.db2.gz XKBIXTBCRJPKFF-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CC(C)NC(=O)C[N@@H+](C)CCCc1ccccc1 ZINC000053102507 343643398 /nfs/dbraw/zinc/64/33/98/343643398.db2.gz NJNQERMWKYMDGD-UHFFFAOYSA-N 0 1 248.370 2.076 20 0 BEADMN CC(C)NC(=O)CN(C)CCCc1ccccc1 ZINC000053102507 343643400 /nfs/dbraw/zinc/64/34/00/343643400.db2.gz NJNQERMWKYMDGD-UHFFFAOYSA-N 0 1 248.370 2.076 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000634697179 343644364 /nfs/dbraw/zinc/64/43/64/343644364.db2.gz BWSXCQMKXXJCSE-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CCC1CCC1 ZINC000634696301 343629090 /nfs/dbraw/zinc/62/90/90/343629090.db2.gz SARQRNAWGHJHSW-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN CC(C)=CC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696601 343633874 /nfs/dbraw/zinc/63/38/74/343633874.db2.gz DYSNZAIBKNWEBG-UHFFFAOYSA-N 0 1 209.289 2.034 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC(=O)N(C)C)cc1 ZINC000047959486 343674931 /nfs/dbraw/zinc/67/49/31/343674931.db2.gz NVHPXBGLRBOUEI-LBPRGKRZSA-N 0 1 234.343 2.076 20 0 BEADMN CCc1nnc(CN(CC)C2CCCC2)o1 ZINC000047966123 343676973 /nfs/dbraw/zinc/67/69/73/343676973.db2.gz PAJNUUCZSSYRIH-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN Cc1ccc(CNCCC(F)(F)F)nc1 ZINC000087782596 343661240 /nfs/dbraw/zinc/66/12/40/343661240.db2.gz LVGYFBHXEVUTDB-UHFFFAOYSA-N 0 1 218.222 2.432 20 0 BEADMN Cc1ccccc1OCCN[C@H](C)c1ncc[nH]1 ZINC000285939289 537808460 /nfs/dbraw/zinc/80/84/60/537808460.db2.gz FPCLAKLVUSYLIO-GFCCVEGCSA-N 0 1 245.326 2.448 20 0 BEADMN c1nc2c([nH]1)CN([C@H]1CCc3ccccc31)CC2 ZINC000625434593 343735943 /nfs/dbraw/zinc/73/59/43/343735943.db2.gz BZFVZHNVBXJVCJ-HNNXBMFYSA-N 0 1 239.322 2.455 20 0 BEADMN Cc1ccccc1[C@@H](C)N1CCOCC1 ZINC000148992642 343738253 /nfs/dbraw/zinc/73/82/53/343738253.db2.gz NGYSCAIYTBZWJU-GFCCVEGCSA-N 0 1 205.301 2.388 20 0 BEADMN CS[C@@H]1CCCC[C@H]1NCc1cocn1 ZINC000309079190 346960877 /nfs/dbraw/zinc/96/08/77/346960877.db2.gz NQXUQLUMWJXPQK-GHMZBOCLSA-N 0 1 226.345 2.438 20 0 BEADMN Cc1nccnc1CN1CC[C@H](OCC(C)C)C1 ZINC000621719307 343775407 /nfs/dbraw/zinc/77/54/07/343775407.db2.gz JASXELGOURKSQK-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCN1C)C1CCCCC1 ZINC000128058063 343756941 /nfs/dbraw/zinc/75/69/41/343756941.db2.gz JVXZYXMLEAVDHT-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(NC[C@H]1CCSC1)C(F)F ZINC000379394098 537814142 /nfs/dbraw/zinc/81/41/42/537814142.db2.gz WLTPYGOBDAIJLQ-SSDOTTSWSA-N 0 1 209.305 2.373 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccco2)n[nH]1 ZINC000309163016 346974290 /nfs/dbraw/zinc/97/42/90/346974290.db2.gz ZVJCMUPDKZLZAC-VIFPVBQESA-N 0 1 205.261 2.162 20 0 BEADMN CC(=O)c1ccc(C[N@H+](C)C2(CO)CCC2)cc1 ZINC000295160890 187350770 /nfs/dbraw/zinc/35/07/70/187350770.db2.gz DKGAUFGANDOQMB-UHFFFAOYSA-N 0 1 247.338 2.236 20 0 BEADMN CC(=O)c1ccc(C[N@H+](C)CC[C@H](C)O)cc1 ZINC000295121086 187351360 /nfs/dbraw/zinc/35/13/60/187351360.db2.gz WUAWEVWTHIZVBQ-NSHDSACASA-N 0 1 235.327 2.092 20 0 BEADMN CC(=O)c1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000295121086 187351361 /nfs/dbraw/zinc/35/13/61/187351361.db2.gz WUAWEVWTHIZVBQ-NSHDSACASA-N 0 1 235.327 2.092 20 0 BEADMN CC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000295048478 187351607 /nfs/dbraw/zinc/35/16/07/187351607.db2.gz OLYFWDYSDANCTR-AWEZNQCLSA-N 0 1 247.338 2.358 20 0 BEADMN c1n[nH]cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000678282001 488236304 /nfs/dbraw/zinc/23/63/04/488236304.db2.gz LEKKNSUDTVIVLP-NWDGAFQWSA-N 0 1 237.372 2.270 20 0 BEADMN CCN(Cc1cnc[nH]1)Cc1cccs1 ZINC000179720417 346994199 /nfs/dbraw/zinc/99/41/99/346994199.db2.gz BXYQGVBCHUUGII-UHFFFAOYSA-N 0 1 221.329 2.493 20 0 BEADMN CC(C)CCN(Cc1ccn(C)n1)C1CC1 ZINC000336689449 537824664 /nfs/dbraw/zinc/82/46/64/537824664.db2.gz ZDKZIIDJRQRZDX-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN CC(C)C[C@H](C)N(C)Cc1nccn1C ZINC000299622565 187353670 /nfs/dbraw/zinc/35/36/70/187353670.db2.gz QUAFWAXLKBQATC-NSHDSACASA-N 0 1 209.337 2.287 20 0 BEADMN CC[C@H]1C[C@H](CNCC(C)(F)F)CCO1 ZINC000393495758 343883022 /nfs/dbraw/zinc/88/30/22/343883022.db2.gz VXRGXYSSCBZYPX-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN COc1cncc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000625484416 343885030 /nfs/dbraw/zinc/88/50/30/343885030.db2.gz DYTQTWZEGFSUJM-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CCc1nc(CN[C@H]2CCc3ccccc32)n[nH]1 ZINC000296067190 343895213 /nfs/dbraw/zinc/89/52/13/343895213.db2.gz PPCYAACWWYWXJO-LBPRGKRZSA-N 0 1 242.326 2.144 20 0 BEADMN CCn1cc(CN(C)C2CCCCC2)nn1 ZINC000641187463 362258364 /nfs/dbraw/zinc/25/83/64/362258364.db2.gz LETJMELRCHBQMV-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000068875489 343927951 /nfs/dbraw/zinc/92/79/51/343927951.db2.gz XCDUVVIVPFUTDV-LLVKDONJSA-N 0 1 247.260 2.432 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nc(C2CC2)no1 ZINC000341808812 187356622 /nfs/dbraw/zinc/35/66/22/187356622.db2.gz MLWFNPFOAKQZNI-VIFPVBQESA-N 0 1 223.320 2.423 20 0 BEADMN Cc1ncccc1NS(=O)(=O)c1ccccc1 ZINC000091498212 343950986 /nfs/dbraw/zinc/95/09/86/343950986.db2.gz DWIRSIIPTCMMAT-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN CC(C)NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000048433986 343951924 /nfs/dbraw/zinc/95/19/24/343951924.db2.gz GKKUDPDCGNKYPB-LBPRGKRZSA-N 0 1 234.343 2.204 20 0 BEADMN CN[C@H](C)c1cn([C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000641232631 362284438 /nfs/dbraw/zinc/28/44/38/362284438.db2.gz GZOAPUNAUGHXFE-SCDSUCTJSA-N 0 1 242.326 2.287 20 0 BEADMN Cc1nc(CN2CCC[C@H](C)C2)[nH]c1C ZINC000628118700 343969305 /nfs/dbraw/zinc/96/93/05/343969305.db2.gz FZJMIEMOFJMEFG-VIFPVBQESA-N 0 1 207.321 2.258 20 0 BEADMN C[C@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000641244845 362308837 /nfs/dbraw/zinc/30/88/37/362308837.db2.gz KAODWHFLLGEVCO-JTQLQIEISA-N 0 1 241.294 2.311 20 0 BEADMN CCCc1cc(C(=O)N2CCCC2(C)C)n[nH]1 ZINC000077353297 344067195 /nfs/dbraw/zinc/06/71/95/344067195.db2.gz AOWHINKVIPQVPB-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN Cc1ccc(CN[C@@H](CO)c2ccsc2)cn1 ZINC000349568495 178624575 /nfs/dbraw/zinc/62/45/75/178624575.db2.gz LYQPVIQPTOWCDF-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN CC(C)=CCN1CCO[C@H](C(F)F)CC1 ZINC000634734754 344115938 /nfs/dbraw/zinc/11/59/38/344115938.db2.gz NPAWNWPLSRRNAU-JTQLQIEISA-N 0 1 219.275 2.309 20 0 BEADMN C[C@H]1CCCCN(CC(=O)Nc2ccncc2)C1 ZINC000187961080 259372588 /nfs/dbraw/zinc/37/25/88/259372588.db2.gz DOUWXLFYXYDCFE-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN COc1ccc(CN(C2CC2)C2CC2)nc1 ZINC000625842916 344094425 /nfs/dbraw/zinc/09/44/25/344094425.db2.gz NXIRZLMMQNBSEX-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN c1nc(CN[C@H]2CC23CCCCC3)co1 ZINC000395154123 344101959 /nfs/dbraw/zinc/10/19/59/344101959.db2.gz KNGKYVHBZVNLJR-NSHDSACASA-N 0 1 206.289 2.487 20 0 BEADMN CCN(Cc1cccnc1Cl)CC(C)(C)O ZINC000078747166 344102070 /nfs/dbraw/zinc/10/20/70/344102070.db2.gz NBOYJUUAOJOMNK-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN CC(C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000083243036 344173298 /nfs/dbraw/zinc/17/32/98/344173298.db2.gz BMPPNICQEJXGMJ-UHFFFAOYSA-N 0 1 217.316 2.414 20 0 BEADMN CC(C)N(C)Cc1nc2ccccc2n1C ZINC000083243036 344173301 /nfs/dbraw/zinc/17/33/01/344173301.db2.gz BMPPNICQEJXGMJ-UHFFFAOYSA-N 0 1 217.316 2.414 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299896560 344120344 /nfs/dbraw/zinc/12/03/44/344120344.db2.gz NZTULVMCKOZMFE-TUAOUCFPSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(C(=O)N1CC2(C1)CCCC2)c1c[nH]cn1 ZINC000621961263 344129919 /nfs/dbraw/zinc/12/99/19/344129919.db2.gz AAXAJIGWQJCNMK-UHFFFAOYSA-N 0 1 247.342 2.090 20 0 BEADMN CCCC[C@H](CC)N[C@H](C)c1ncn(C)n1 ZINC000309435345 344144957 /nfs/dbraw/zinc/14/49/57/344144957.db2.gz HCXKVKQAOAXWOH-MNOVXSKESA-N 0 1 224.352 2.435 20 0 BEADMN CCc1noc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000309968815 344153739 /nfs/dbraw/zinc/15/37/39/344153739.db2.gz OOWBQJJRIUGLBQ-NXEZZACHSA-N 0 1 223.320 2.300 20 0 BEADMN COC1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628125682 344155261 /nfs/dbraw/zinc/15/52/61/344155261.db2.gz JVUBLYOTKNIYKM-UHFFFAOYSA-N 0 1 236.315 2.163 20 0 BEADMN CN1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094052887 344156256 /nfs/dbraw/zinc/15/62/56/344156256.db2.gz HIKNICYXQHYGQW-UHFFFAOYSA-N 0 1 243.713 2.016 20 0 BEADMN CC[C@H]1CN(Cc2cccc3n[nH]cc32)CCO1 ZINC000628129257 344157222 /nfs/dbraw/zinc/15/72/22/344157222.db2.gz SPOYWFYHQTZFJI-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN CC(C)N1CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628129887 344158591 /nfs/dbraw/zinc/15/85/91/344158591.db2.gz ZNSZQVHYZMDSMH-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000195526117 344216068 /nfs/dbraw/zinc/21/60/68/344216068.db2.gz PCQXFRYCKNQIIH-VIFPVBQESA-N 0 1 231.299 2.433 20 0 BEADMN CCOC[C@H](C)NCc1ncc(CC)s1 ZINC000130592637 344222621 /nfs/dbraw/zinc/22/26/21/344222621.db2.gz QEJBIEPBMZSJAI-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@H](C(=O)[O-])C1CC1 ZINC000088795805 344241823 /nfs/dbraw/zinc/24/18/23/344241823.db2.gz JGEOUNDAIZKPOD-ZDUSSCGKSA-N 0 1 233.311 2.290 20 0 BEADMN C[N@@H+](CCc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000088796735 344241876 /nfs/dbraw/zinc/24/18/76/344241876.db2.gz XAZWZOYYOQAUMK-ZDUSSCGKSA-N 0 1 233.311 2.024 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)[O-])C1CC1 ZINC000088795622 344242002 /nfs/dbraw/zinc/24/20/02/344242002.db2.gz FZCWWUQGAAJCMX-LBPRGKRZSA-N 0 1 237.274 2.121 20 0 BEADMN CCCCC[N@@H+](CCO)Cc1ncccc1C ZINC000093173697 344310548 /nfs/dbraw/zinc/31/05/48/344310548.db2.gz DAIAZAUMHIDCLL-UHFFFAOYSA-N 0 1 236.359 2.375 20 0 BEADMN CCN(Cc1ccn(C)c1)Cc1ccccn1 ZINC000093338755 344313986 /nfs/dbraw/zinc/31/39/86/344313986.db2.gz LGDMKXHSKVYIBC-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN CCCc1nsc(NC[C@@H]2C[C@H]2CC)n1 ZINC000387733327 347046390 /nfs/dbraw/zinc/04/63/90/347046390.db2.gz SWEXLRIFRMFNLR-BDAKNGLRSA-N 0 1 225.361 2.371 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@H]1CCCCN1C ZINC000600936725 344399919 /nfs/dbraw/zinc/39/99/19/344399919.db2.gz CPCGGNDYUCPRKV-QWHCGFSZSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000600950029 344401327 /nfs/dbraw/zinc/40/13/27/344401327.db2.gz HBCJCJHNMNSQSO-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCCC(C)(C)C ZINC000600949988 344401389 /nfs/dbraw/zinc/40/13/89/344401389.db2.gz CLLDQVJKEHRZGI-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000600950030 344401418 /nfs/dbraw/zinc/40/14/18/344401418.db2.gz HBCJCJHNMNSQSO-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CCN(C(=O)CCc1cnc[nH]1)[C@@H](C)C(C)C ZINC000584301243 344437943 /nfs/dbraw/zinc/43/79/43/344437943.db2.gz OEPIDHXVQADJMG-NSHDSACASA-N 0 1 237.347 2.235 20 0 BEADMN CC(C)N(Cc1nnc2n1CCCC2)CC1CC1 ZINC000582022032 347051358 /nfs/dbraw/zinc/05/13/58/347051358.db2.gz IQKPYFGYAMIIEX-UHFFFAOYSA-N 0 1 248.374 2.235 20 0 BEADMN CCCCc1nc(C2(N)CCCC2)no1 ZINC000042290305 344449239 /nfs/dbraw/zinc/44/92/39/344449239.db2.gz IPEGNMJMGZDVTI-UHFFFAOYSA-N 0 1 209.293 2.140 20 0 BEADMN CCCCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352028955 534962424 /nfs/dbraw/zinc/96/24/24/534962424.db2.gz QSVVIHKUSYIAGZ-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nc(CNC[C@H]2CCCCO2)cs1 ZINC000042372960 344450917 /nfs/dbraw/zinc/45/09/17/344450917.db2.gz FSGBFYOWRLGCCY-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000042436823 344452958 /nfs/dbraw/zinc/45/29/58/344452958.db2.gz DDUCVUBEJHBJLE-NSHDSACASA-N 0 1 225.263 2.121 20 0 BEADMN CC1(CNC(=O)c2ccc(F)cc2O)CC1 ZINC000228311736 259376027 /nfs/dbraw/zinc/37/60/27/259376027.db2.gz XGZALOJYHYBQQO-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN Cc1noc([C@@H](C)NCC2CCSCC2)n1 ZINC000381299124 344493463 /nfs/dbraw/zinc/49/34/63/344493463.db2.gz HNRLJDLERTWEEM-MRVPVSSYSA-N 0 1 241.360 2.172 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381557104 344521229 /nfs/dbraw/zinc/52/12/29/344521229.db2.gz VTECWOYCWRABDH-UWVGGRQHSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1cc(CNCc2cncn2C)cc(C)c1O ZINC000263836561 344526423 /nfs/dbraw/zinc/52/64/23/344526423.db2.gz CLOMJGVHFWTZEG-UHFFFAOYSA-N 0 1 245.326 2.032 20 0 BEADMN O=[S@@](CCN1CCC12CCC2)c1ccccc1 ZINC000081515728 344539893 /nfs/dbraw/zinc/53/98/93/344539893.db2.gz YTOSNUITDLIKDK-QGZVFWFLSA-N 0 1 249.379 2.423 20 0 BEADMN CCOC[C@@H]1CN(CCCC2CCC2)CCO1 ZINC000625953701 344594407 /nfs/dbraw/zinc/59/44/07/344594407.db2.gz NHYMQXOTFORHSG-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@H]1CC[C@H](CN2CCc3c(O)cccc3C2)O1 ZINC000626028207 344680715 /nfs/dbraw/zinc/68/07/15/344680715.db2.gz BFXIICVXFCACKK-WCQYABFASA-N 0 1 247.338 2.318 20 0 BEADMN CCCCCN1CCO[C@@H](CCF)C1 ZINC000626002404 344662859 /nfs/dbraw/zinc/66/28/59/344662859.db2.gz MIRHBSJWQWYKIU-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN FCC[C@@H]1CN([C@H]2C=CCCC2)CCO1 ZINC000626002244 344662894 /nfs/dbraw/zinc/66/28/94/344662894.db2.gz JQKCGXOTJXACMK-NWDGAFQWSA-N 0 1 213.296 2.156 20 0 BEADMN Oc1cccc2c1CCN(CCOC1CCC1)C2 ZINC000626028391 344681249 /nfs/dbraw/zinc/68/12/49/344681249.db2.gz HUFRTCVDDANXNJ-UHFFFAOYSA-N 0 1 247.338 2.319 20 0 BEADMN CC[C@H](CN1Cc2cccc(OC)c2C1)OC ZINC000626023432 344678280 /nfs/dbraw/zinc/67/82/80/344678280.db2.gz HFTDXSMJAKDJPM-GFCCVEGCSA-N 0 1 235.327 2.436 20 0 BEADMN CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152949648 344726279 /nfs/dbraw/zinc/72/62/79/344726279.db2.gz FZHCHCPMIWIAGN-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000075213465 344769029 /nfs/dbraw/zinc/76/90/29/344769029.db2.gz HNFLMXIEYAXVCO-CYBMUJFWSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)on1 ZINC000075894664 344787292 /nfs/dbraw/zinc/78/72/92/344787292.db2.gz SVKCAVDROOEVSS-UWVGGRQHSA-N 0 1 226.345 2.309 20 0 BEADMN CCn1ccnc1CN1CCC(C)(C)C1 ZINC000076014028 344790623 /nfs/dbraw/zinc/79/06/23/344790623.db2.gz IHDVFYKMOUGBSM-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)cn1 ZINC000075814808 344792310 /nfs/dbraw/zinc/79/23/10/344792310.db2.gz NINFZHMYYPEEIK-LLVKDONJSA-N 0 1 246.314 2.486 20 0 BEADMN COCCCN1CCOC[C@H]1c1ccccc1 ZINC000076119238 344797720 /nfs/dbraw/zinc/79/77/20/344797720.db2.gz ISNUCVUMBLIDIU-AWEZNQCLSA-N 0 1 235.327 2.096 20 0 BEADMN CCOC(=O)CN(C[C@H](C)CC)C1CC1 ZINC000050428233 344820786 /nfs/dbraw/zinc/82/07/86/344820786.db2.gz XPSZMZBCFZGJTP-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CN(CC(=O)Nc1ccc(F)cc1)CC1CC1 ZINC000077194328 344810843 /nfs/dbraw/zinc/81/08/43/344810843.db2.gz CNTFNTYCFZUSIM-UHFFFAOYSA-N 0 1 236.290 2.106 20 0 BEADMN CC[C@@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628152622 344841116 /nfs/dbraw/zinc/84/11/16/344841116.db2.gz ISISJURVAHVZCL-LLVKDONJSA-N 0 1 207.321 2.401 20 0 BEADMN Cc1c[nH]c(CN(C)CC2CCCC2)n1 ZINC000628158590 344853335 /nfs/dbraw/zinc/85/33/35/344853335.db2.gz RYGWPOLEBTXVFK-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CCc1nc(CNCc2ccc(C)cc2F)n[nH]1 ZINC000631145617 344856196 /nfs/dbraw/zinc/85/61/96/344856196.db2.gz NRLCHWZRWGQWPK-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN CC(C)(C)n1ncnc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000334508706 534973231 /nfs/dbraw/zinc/97/32/31/534973231.db2.gz RNNWCDXUKZFDHR-TXEJJXNPSA-N 0 1 248.374 2.265 20 0 BEADMN CC(C)C[N@@H+](CC1(C(=O)[O-])CC1)C(C)C ZINC000583385984 344867534 /nfs/dbraw/zinc/86/75/34/344867534.db2.gz CJOBNFQTDSODLY-UHFFFAOYSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnnn1C ZINC000564498187 344870884 /nfs/dbraw/zinc/87/08/84/344870884.db2.gz PCXNBQRVNPMFEN-YPMHNXCESA-N 0 1 236.363 2.216 20 0 BEADMN CCCCOCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000049263911 488277686 /nfs/dbraw/zinc/27/76/86/488277686.db2.gz QHZVUHUUVZLSGT-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CCCCN(C(=O)c1ccn[nH]1)[C@@H](C)CC ZINC000078842941 344913180 /nfs/dbraw/zinc/91/31/80/344913180.db2.gz SMWSXVCQNHXMNH-JTQLQIEISA-N 0 1 223.320 2.451 20 0 BEADMN CCCCN(CCOC)Cc1cnc(C)o1 ZINC000628170721 344888114 /nfs/dbraw/zinc/88/81/14/344888114.db2.gz JMYSGTNMRCKVDS-UHFFFAOYSA-N 0 1 226.320 2.232 20 0 BEADMN Cc1c[nH]c(CN2CCCCC[C@@H]2C)n1 ZINC000628174785 344896543 /nfs/dbraw/zinc/89/65/43/344896543.db2.gz XFSWEKZBFSYPDY-NSHDSACASA-N 0 1 207.321 2.483 20 0 BEADMN Cc1ncc(CN2CCC(c3c[nH]cn3)CC2)o1 ZINC000628176799 344903122 /nfs/dbraw/zinc/90/31/22/344903122.db2.gz YFQRPYCUOLYVAL-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)CN1[C@@H]1CCOC1=O ZINC000115552465 187295230 /nfs/dbraw/zinc/29/52/30/187295230.db2.gz IHSFITWTCVHLFX-MRVWCRGKSA-N 0 1 245.322 2.180 20 0 BEADMN Cc1ccc([C@H](C)CN(C)Cc2nnc[nH]2)cc1 ZINC000628179445 344914887 /nfs/dbraw/zinc/91/48/87/344914887.db2.gz ADTVJWXFFDVAFL-GFCCVEGCSA-N 0 1 244.342 2.349 20 0 BEADMN Cc1ncc(CNCCc2csc(C)n2)o1 ZINC000628201899 344977575 /nfs/dbraw/zinc/97/75/75/344977575.db2.gz ZZJCQNMANLIBCH-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN Cc1nc(CN2CCC[C@@H]3COCC[C@@H]32)[nH]c1C ZINC000628189993 344942339 /nfs/dbraw/zinc/94/23/39/344942339.db2.gz SISYUFCSOOVPTI-OLZOCXBDSA-N 0 1 249.358 2.027 20 0 BEADMN CCC(CC)CN(C)[C@H](C)CS(=O)(=O)CC ZINC000153932219 345000855 /nfs/dbraw/zinc/00/08/55/345000855.db2.gz FUVXTOVNLFZSSU-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN COC(=O)C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000079875832 345047919 /nfs/dbraw/zinc/04/79/19/345047919.db2.gz HPEONYNZFFATJP-NSHDSACASA-N 0 1 248.326 2.028 20 0 BEADMN C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000154520290 345040477 /nfs/dbraw/zinc/04/04/77/345040477.db2.gz PLJQUYMMQCIBJS-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000154520184 345040603 /nfs/dbraw/zinc/04/06/03/345040603.db2.gz PLJQUYMMQCIBJS-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CN(CC2(C)CC2)C[C@H](C)[S@@]1=O ZINC000569625987 345072149 /nfs/dbraw/zinc/07/21/49/345072149.db2.gz YNEUYKLKMOOCPT-RWSFTLGLSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@H]1c2cccn2CCN1CC[C@@H]1CCCO1 ZINC000188642335 259382596 /nfs/dbraw/zinc/38/25/96/259382596.db2.gz SMGNMZOALYWRBL-STQMWFEESA-N 0 1 234.343 2.434 20 0 BEADMN COCC1(CNCc2ccon2)CCCCC1 ZINC000634981749 345161764 /nfs/dbraw/zinc/16/17/64/345161764.db2.gz RFCNTQXYOAVHSE-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN C[C@H]1OCCN(CCN(C)c2ccccc2)[C@H]1C ZINC000156442274 345163599 /nfs/dbraw/zinc/16/35/99/345163599.db2.gz AWGHLWHVLKTUNA-UONOGXRCSA-N 0 1 248.370 2.232 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCN(C)c1ccccc1 ZINC000156441905 345163649 /nfs/dbraw/zinc/16/36/49/345163649.db2.gz AWGHLWHVLKTUNA-KGLIPLIRSA-N 0 1 248.370 2.232 20 0 BEADMN CC(F)(F)CCCNCc1ccon1 ZINC000634982882 345163836 /nfs/dbraw/zinc/16/38/36/345163836.db2.gz YPQHOQQAWVYHMO-UHFFFAOYSA-N 0 1 204.220 2.200 20 0 BEADMN CCC(O)(CC)C(C)(C)CNCc1ccon1 ZINC000634985705 345165366 /nfs/dbraw/zinc/16/53/66/345165366.db2.gz ARTUNROOWZAXBA-UHFFFAOYSA-N 0 1 240.347 2.342 20 0 BEADMN c1cc(CNC[C@@H]2C[C@H]2C2CCC2)no1 ZINC000634983913 345167341 /nfs/dbraw/zinc/16/73/41/345167341.db2.gz BUENDECVYPVODY-JQWIXIFHSA-N 0 1 206.289 2.200 20 0 BEADMN c1cc(CN[C@H]2[C@H]3Cc4ccccc4[C@H]32)no1 ZINC000634986902 345172506 /nfs/dbraw/zinc/17/25/06/345172506.db2.gz HMLKFWPYDKJJHV-MJBXVCDLSA-N 0 1 226.279 2.103 20 0 BEADMN CCCC(O)(CCC)CNCc1ccon1 ZINC000634963320 345137295 /nfs/dbraw/zinc/13/72/95/345137295.db2.gz PPXSWYFRZVVOBD-UHFFFAOYSA-N 0 1 226.320 2.096 20 0 BEADMN Cc1ccc(CN(C)C[C@H]2CCCO2)nc1 ZINC000156228046 345140640 /nfs/dbraw/zinc/14/06/40/345140640.db2.gz PKEGJCPFZNBCJA-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)[C@H]1OCCC[C@@H]1CNCc1ccon1 ZINC000634967283 345142657 /nfs/dbraw/zinc/14/26/57/345142657.db2.gz KKDMKVPDNKZMCJ-DGCLKSJQSA-N 0 1 238.331 2.215 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CCCNCc1ccon1 ZINC000634969723 345144236 /nfs/dbraw/zinc/14/42/36/345144236.db2.gz WROFXTMHJDXQKX-DGCLKSJQSA-N 0 1 238.331 2.096 20 0 BEADMN CC1(NCc2ccon2)Cc2ccccc2C1 ZINC000634974958 345150357 /nfs/dbraw/zinc/15/03/57/345150357.db2.gz OANWVVUIHSFCSF-UHFFFAOYSA-N 0 1 228.295 2.322 20 0 BEADMN COc1ccc(C[N@@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000156360326 345152879 /nfs/dbraw/zinc/15/28/79/345152879.db2.gz ODIKWGIKPWQWAP-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(CN(C)C[C@@H](C)O)c(Cl)c1 ZINC000156360326 345152881 /nfs/dbraw/zinc/15/28/81/345152881.db2.gz ODIKWGIKPWQWAP-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)NCc2ccon2)n[nH]1 ZINC000634977801 345154612 /nfs/dbraw/zinc/15/46/12/345154612.db2.gz KYOVMXFHBOXVSW-IUCAKERBSA-N 0 1 249.318 2.157 20 0 BEADMN C[C@@H]1C[C@@H](CCNCc2ccon2)C[C@H](C)O1 ZINC000634980171 345156634 /nfs/dbraw/zinc/15/66/34/345156634.db2.gz YFFAEFKBBQUGDA-ZSBIGDGJSA-N 0 1 238.331 2.358 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](C)N(C)C)c(C)c1 ZINC000635060681 345233494 /nfs/dbraw/zinc/23/34/94/345233494.db2.gz BEVHKJWLCVDKKU-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN CCc1cccc(NC(=O)[C@@H](C)N(C)C)c1 ZINC000635076255 345241018 /nfs/dbraw/zinc/24/10/18/345241018.db2.gz MUSWMCQLNVGPIL-SNVBAGLBSA-N 0 1 220.316 2.138 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635077880 345242283 /nfs/dbraw/zinc/24/22/83/345242283.db2.gz JTAVVZDDTQJRPI-DDHJBXDOSA-N 0 1 247.342 2.208 20 0 BEADMN CCc1nnc(NC(=O)CC(CC)CC)[nH]1 ZINC000182256841 323084871 /nfs/dbraw/zinc/08/48/71/323084871.db2.gz AOBRHPXGTMZHHZ-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC(CC)CC)n1 ZINC000182256841 323084872 /nfs/dbraw/zinc/08/48/72/323084872.db2.gz AOBRHPXGTMZHHZ-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1c(F)cccc1F ZINC000129613968 345259704 /nfs/dbraw/zinc/25/97/04/345259704.db2.gz GHSNNWWHYMVPTP-RYUDHWBXSA-N 0 1 241.281 2.214 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@@H](C)N(C)C)cc2o1 ZINC000635214255 345273971 /nfs/dbraw/zinc/27/39/71/345273971.db2.gz IKFLZZVOJBZLCL-MRVPVSSYSA-N 0 1 247.298 2.025 20 0 BEADMN O=C(NCCC1CCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635219284 345276100 /nfs/dbraw/zinc/27/61/00/345276100.db2.gz DUDPGBNTORDNGP-VXGBXAGGSA-N 0 1 247.342 2.210 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1CCC=CCC1 ZINC000635224259 345278086 /nfs/dbraw/zinc/27/80/86/345278086.db2.gz KDXSLQZWDWWVQT-UHFFFAOYSA-N 0 1 233.315 2.081 20 0 BEADMN CCC(O)(CC)CN(C)Cc1ccncc1F ZINC000626112250 345279982 /nfs/dbraw/zinc/27/99/82/345279982.db2.gz TYMKGADQHCCDBG-UHFFFAOYSA-N 0 1 240.322 2.204 20 0 BEADMN CCCCN(C(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000635234624 345280707 /nfs/dbraw/zinc/28/07/07/345280707.db2.gz YTKNCIHZUZIAPF-ZDUSSCGKSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635247890 345284224 /nfs/dbraw/zinc/28/42/24/345284224.db2.gz BHGSNHWVHQKKBH-GHMZBOCLSA-N 0 1 235.331 2.018 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635271387 345292701 /nfs/dbraw/zinc/29/27/01/345292701.db2.gz PSKCGMCDEPLBCK-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN c1cc(CN2CCCC3(CC3)CC2)no1 ZINC000626113963 345307687 /nfs/dbraw/zinc/30/76/87/345307687.db2.gz OFCMNNZWBPIURQ-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)c2ccccc21)N(C)C ZINC000635329370 345310710 /nfs/dbraw/zinc/31/07/10/345310710.db2.gz ALNXRRXCEYIJRI-GHMZBOCLSA-N 0 1 232.327 2.087 20 0 BEADMN C[N@@H+](CCC1CCCC1)CC(=O)NC(C)(C)C ZINC000158576120 345351042 /nfs/dbraw/zinc/35/10/42/345351042.db2.gz ABNFMDHUJTXULV-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CCc1nnc(CN2CCCC[C@@H]2C(C)C)[nH]1 ZINC000158600501 345354396 /nfs/dbraw/zinc/35/43/96/345354396.db2.gz WCRNFTJOZBFVPB-LLVKDONJSA-N 0 1 236.363 2.378 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635420702 345360450 /nfs/dbraw/zinc/36/04/50/345360450.db2.gz SARFYEHIXRBPOS-LMLFDSFASA-N 0 1 235.331 2.064 20 0 BEADMN CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635456633 345378460 /nfs/dbraw/zinc/37/84/60/345378460.db2.gz RZGKPBIOZGHHAL-NXEZZACHSA-N 0 1 235.331 2.208 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)CC2CCC2)cc1 ZINC000228085088 178858423 /nfs/dbraw/zinc/85/84/23/178858423.db2.gz ZWXCRQRZPQRGDL-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635511344 345407830 /nfs/dbraw/zinc/40/78/30/345407830.db2.gz JYXQDWXMNYDJFZ-UPJWGTAASA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC23CCC3)n[nH]1 ZINC000080829255 345452734 /nfs/dbraw/zinc/45/27/34/345452734.db2.gz VYMIGXSPSAJZLT-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN CCN(Cc1nccc(N)n1)C1CCCCC1 ZINC000134987936 345428738 /nfs/dbraw/zinc/42/87/38/345428738.db2.gz QZJFTHPAXAHEPY-UHFFFAOYSA-N 0 1 234.347 2.213 20 0 BEADMN C[C@H](C(=O)N(C)C[C@@H](C)c1ccccc1)N(C)C ZINC000635482469 345391297 /nfs/dbraw/zinc/39/12/97/345391297.db2.gz KHELFRXHELQUEP-CHWSQXEVSA-N 0 1 248.370 2.199 20 0 BEADMN CCC[C@@H](C)CN(CC(=O)OCC)C1CC1 ZINC000051323745 345401419 /nfs/dbraw/zinc/40/14/19/345401419.db2.gz SOOCDTZLCQHQCI-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(C)C)CC2 ZINC000635531577 345468596 /nfs/dbraw/zinc/46/85/96/345468596.db2.gz IJBSIJRHOCLSJZ-BXUZGUMPSA-N 0 1 246.354 2.049 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000081322713 345469665 /nfs/dbraw/zinc/46/96/65/345469665.db2.gz WKQBFUJHFOHISR-GFCCVEGCSA-N 0 1 221.304 2.062 20 0 BEADMN CC(C)C[C@H](N)c1noc(C2CCC2)n1 ZINC000336678605 187306143 /nfs/dbraw/zinc/30/61/43/187306143.db2.gz AFIMIKIRLSWEMZ-VIFPVBQESA-N 0 1 209.293 2.383 20 0 BEADMN OCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605724 345487360 /nfs/dbraw/zinc/48/73/60/345487360.db2.gz IZYXMUDZSSEGLO-GFCCVEGCSA-N 0 1 225.719 2.469 20 0 BEADMN C[C@@H](Cc1ccoc1)NCc1cscn1 ZINC000084961324 345530396 /nfs/dbraw/zinc/53/03/96/345530396.db2.gz PIFWMRNPMGQHTC-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN CC(C)N1CC[C@@H](N2Cc3ccccc3C2)C1=O ZINC000177674521 187306731 /nfs/dbraw/zinc/30/67/31/187306731.db2.gz NDBYZAKOQMAGCC-CQSZACIVSA-N 0 1 244.338 2.012 20 0 BEADMN C[C@@H](CO)Nc1ccnc2cc(F)ccc21 ZINC000091013414 345579678 /nfs/dbraw/zinc/57/96/78/345579678.db2.gz TZDLGEBTJMDUOJ-QMMMGPOBSA-N 0 1 220.247 2.167 20 0 BEADMN CN(Cc1cscn1)C1CCC(CO)CC1 ZINC000089923852 345566335 /nfs/dbraw/zinc/56/63/35/345566335.db2.gz IHMPUGBTMVPWAQ-UHFFFAOYSA-N 0 1 240.372 2.126 20 0 BEADMN CCc1ncc(CN2CCC[C@H](OC)C2)s1 ZINC000091772223 345604918 /nfs/dbraw/zinc/60/49/18/345604918.db2.gz GSBYRKAIRIMPOA-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CCN(C(=O)c1[nH]nc2ccccc21)C(C)C ZINC000070287262 345609537 /nfs/dbraw/zinc/60/95/37/345609537.db2.gz FXOIJWDBTWOLDV-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN CN(CCC(F)(F)F)Cc1ccn(C)c1 ZINC000092478669 345624195 /nfs/dbraw/zinc/62/41/95/345624195.db2.gz IQNCUYIPTVRAQO-UHFFFAOYSA-N 0 1 220.238 2.409 20 0 BEADMN CCOCCN(CC)Cc1scnc1C ZINC000092537928 345638818 /nfs/dbraw/zinc/63/88/18/345638818.db2.gz BIRMMVSFAUEZHZ-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN Cc1cccnc1CN(C)C[C@H]1CCCCO1 ZINC000093159733 345658105 /nfs/dbraw/zinc/65/81/05/345658105.db2.gz RMDOXTPLCFTZSY-CYBMUJFWSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)c1cnc(CNC[C@H](O)C2CC2)s1 ZINC000336723892 187308063 /nfs/dbraw/zinc/30/80/63/187308063.db2.gz BAMPISIWRKKKRG-JTQLQIEISA-N 0 1 240.372 2.127 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1nc2ccccc2o1 ZINC000093339108 345653960 /nfs/dbraw/zinc/65/39/60/345653960.db2.gz VTGVCPZJRUHTFG-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CCN(Cc1nnc(C2CC2)o1)CC(C)C ZINC000138331420 345693974 /nfs/dbraw/zinc/69/39/74/345693974.db2.gz FEWWWQACUOALEU-UHFFFAOYSA-N 0 1 223.320 2.425 20 0 BEADMN COC(=O)c1ccc(CN2CCCC2)c(F)c1 ZINC000134924192 345760312 /nfs/dbraw/zinc/76/03/12/345760312.db2.gz UJQVJNLHTATXNJ-UHFFFAOYSA-N 0 1 237.274 2.208 20 0 BEADMN c1nc(C2CC2)oc1CNC[C@@H]1CCCCO1 ZINC000628209863 345808730 /nfs/dbraw/zinc/80/87/30/345808730.db2.gz WLIPIWLZMMSTFN-NSHDSACASA-N 0 1 236.315 2.211 20 0 BEADMN C[C@H]1CCCCCN1C(=O)[C@@H]1CCCCN1C ZINC000635568243 345823814 /nfs/dbraw/zinc/82/38/14/345823814.db2.gz GVJWMJHTAUOJFL-STQMWFEESA-N 0 1 238.375 2.262 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)C1CCCC1 ZINC000635565221 345789943 /nfs/dbraw/zinc/78/99/43/345789943.db2.gz BKKPHTYGBUYZHH-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](C(=O)NCC[C@@H]1CCC[C@H](C)C1)N(C)C ZINC000635572317 345829444 /nfs/dbraw/zinc/82/94/44/345829444.db2.gz IYDDSFQZIFHSOK-XQQFMLRXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)N(C)C ZINC000635575664 345838409 /nfs/dbraw/zinc/83/84/09/345838409.db2.gz KDEWMLKRRJUEEL-FVCCEPFGSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1cnc(C2CC2)o1 ZINC000628214322 345893108 /nfs/dbraw/zinc/89/31/08/345893108.db2.gz SOBLLDHVSKNUOH-SKDRFNHKSA-N 0 1 238.331 2.049 20 0 BEADMN C[C@H](C[NH2+]Cc1cnc(C2CC2)o1)N(C)C1CC1 ZINC000628214047 345876389 /nfs/dbraw/zinc/87/63/89/345876389.db2.gz IUTALEWXEANZSH-SNVBAGLBSA-N 0 1 249.358 2.124 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635583936 345879570 /nfs/dbraw/zinc/87/95/70/345879570.db2.gz BTAKJLKARQGOSM-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)N(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCC1 ZINC000635597448 345886392 /nfs/dbraw/zinc/88/63/92/345886392.db2.gz UCTVGODCTHJAHF-VXGBXAGGSA-N 0 1 247.342 2.303 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)[C@@H]1CCCCN1C ZINC000635649104 345925913 /nfs/dbraw/zinc/92/59/13/345925913.db2.gz RQGJDRMTVOKTJC-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000635635849 345911007 /nfs/dbraw/zinc/91/10/07/345911007.db2.gz UDVMCYPUAFPQLF-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN CCCC[C@H](CCC)NC(=O)[C@@H](C)N(C)C ZINC000635652180 345930092 /nfs/dbraw/zinc/93/00/92/345930092.db2.gz OEHJFIDBKWILHP-NEPJUHHUSA-N 0 1 228.380 2.412 20 0 BEADMN C[C@@H]1CCC[C@H]1NCc1nc(C2CC2)no1 ZINC000381454356 345931698 /nfs/dbraw/zinc/93/16/98/345931698.db2.gz HTFBUIPGMVPVOC-PSASIEDQSA-N 0 1 221.304 2.225 20 0 BEADMN C[C@H](C(=O)N(C)C1CCC(C)(C)CC1)N(C)C ZINC000635670952 345970527 /nfs/dbraw/zinc/97/05/27/345970527.db2.gz MUQHPCMQKITTGP-LLVKDONJSA-N 0 1 240.391 2.364 20 0 BEADMN CCOC(=O)CN(C)CC(C(C)C)C(C)C ZINC000585766003 345989021 /nfs/dbraw/zinc/98/90/21/345989021.db2.gz YDODESOUKJMTSY-UHFFFAOYSA-N 0 1 229.364 2.410 20 0 BEADMN C[C@H](C(=O)NCC1CCC(C)(C)CC1)N(C)C ZINC000635742116 346054599 /nfs/dbraw/zinc/05/45/99/346054599.db2.gz HLALIYYMYLCWPP-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)(C)n1cc(CN2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000191369131 346026683 /nfs/dbraw/zinc/02/66/83/346026683.db2.gz OZVIXSTVAHLZAI-VXGBXAGGSA-N 0 1 248.374 2.265 20 0 BEADMN c1n[n-]c(=[NH+]c2cccnc2)n1CC1CCCC1 ZINC000419029077 192095607 /nfs/dbraw/zinc/09/56/07/192095607.db2.gz XSEZUNGRQUTDRY-UHFFFAOYSA-N 0 1 243.314 2.029 20 0 BEADMN CC(C)=CCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000191787079 346069819 /nfs/dbraw/zinc/06/98/19/346069819.db2.gz MGGLFSPIKINADH-UHFFFAOYSA-N 0 1 247.273 2.398 20 0 BEADMN CC[C@H](N[C@@H](C)[C@H]1CCCOC1)C(F)F ZINC000449365039 201884892 /nfs/dbraw/zinc/88/48/92/201884892.db2.gz UWXAAKHJTCQGAH-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635815436 346071488 /nfs/dbraw/zinc/07/14/88/346071488.db2.gz AYXMIFWIITTZNV-SBFPOUOMSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H](C(=O)N1CC(C)(C)CC(C)(C)C1)N(C)C ZINC000635806780 346072676 /nfs/dbraw/zinc/07/26/76/346072676.db2.gz OMYKUHJJOQGENC-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)=C(C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000635811123 346074004 /nfs/dbraw/zinc/07/40/04/346074004.db2.gz CJRFISIORBQDPP-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)=CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635845433 346088617 /nfs/dbraw/zinc/08/86/17/346088617.db2.gz IMMHQYHJAXZTLQ-UHFFFAOYSA-N 0 1 240.391 2.437 20 0 BEADMN CC(C)=C(C)CC(=O)NCCN1CC=CCC1 ZINC000635878428 346096535 /nfs/dbraw/zinc/09/65/35/346096535.db2.gz WPBLUUNSTRYFQO-UHFFFAOYSA-N 0 1 236.359 2.111 20 0 BEADMN C[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000635882726 346101511 /nfs/dbraw/zinc/10/15/11/346101511.db2.gz ZYGXCFVMOQHCAB-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635794550 346064788 /nfs/dbraw/zinc/06/47/88/346064788.db2.gz ASWDZWVGGDUUHJ-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CC(C)=C(C)C ZINC000635973369 346128931 /nfs/dbraw/zinc/12/89/31/346128931.db2.gz YDONWYPVUGDYTE-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)N(C)C ZINC000636029091 346163673 /nfs/dbraw/zinc/16/36/73/346163673.db2.gz UYMOYGRNJHWANH-WOPDTQHZSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](C)[C@H]1C ZINC000636033470 346169053 /nfs/dbraw/zinc/16/90/53/346169053.db2.gz BQXAAQPCEFRWLO-YBXAARCKSA-N 0 1 247.342 2.016 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(F)F)C[C@@]1(C)C(=O)[O-] ZINC000563281064 323108116 /nfs/dbraw/zinc/10/81/16/323108116.db2.gz WFHYUCKLJNPAQN-PSASIEDQSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1ccc(CN(C)C(=O)[C@@H](C)N(C)C)cc1C ZINC000636008843 346149423 /nfs/dbraw/zinc/14/94/23/346149423.db2.gz DKELKTJAYFQTKY-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC(C)(C)C1 ZINC000636018384 346157426 /nfs/dbraw/zinc/15/74/26/346157426.db2.gz AYOXMPFKMWMBMA-GHMZBOCLSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1CN(Cc2cnc(C3CC3)o2)[C@H](C)CN1C ZINC000628240339 346202464 /nfs/dbraw/zinc/20/24/64/346202464.db2.gz AGNDGKXQAREJPV-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN CC[C@]1(NCc2cnc(C3CC3)o2)CCOC1 ZINC000628251891 346222677 /nfs/dbraw/zinc/22/26/77/346222677.db2.gz ZJSUBOYHLGXJBL-ZDUSSCGKSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)CC2)o1 ZINC000628252063 346223922 /nfs/dbraw/zinc/22/39/22/346223922.db2.gz HCDJXAHJVFMOBA-VIFPVBQESA-N 0 1 226.345 2.310 20 0 BEADMN CC(C)(C)SCc1nc(C2(N)CCC2)no1 ZINC000261986740 535031926 /nfs/dbraw/zinc/03/19/26/535031926.db2.gz RYKVIJWOUPCQRK-UHFFFAOYSA-N 0 1 241.360 2.439 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2nc(C)c[nH]2)CC1 ZINC000628256158 346253324 /nfs/dbraw/zinc/25/33/24/346253324.db2.gz LHWNWZWFUUJZMJ-ZDUSSCGKSA-N 0 1 237.347 2.109 20 0 BEADMN Cc1nc(CN2CC[C@]3(C2)CCCOC3)[nH]c1C ZINC000628265564 346264515 /nfs/dbraw/zinc/26/45/15/346264515.db2.gz IYWGLAOWSLKRBV-AWEZNQCLSA-N 0 1 249.358 2.029 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(C)on1 ZINC000048070800 323114615 /nfs/dbraw/zinc/11/46/15/323114615.db2.gz LEXYTKNWPGAIIF-VIFPVBQESA-N 0 1 239.319 2.042 20 0 BEADMN CSc1ccc(CNC2(CO)CCC2)o1 ZINC000641737826 362664444 /nfs/dbraw/zinc/66/44/44/362664444.db2.gz GAAWTKFMGKBULC-UHFFFAOYSA-N 0 1 227.329 2.006 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCC(C)(F)F ZINC000636066702 346306409 /nfs/dbraw/zinc/30/64/09/346306409.db2.gz NWWUCWANICMTAC-UHFFFAOYSA-N 0 1 245.273 2.112 20 0 BEADMN C/C=C\C[C@H](CO)NCc1c(F)cccc1F ZINC000641746889 362672888 /nfs/dbraw/zinc/67/28/88/362672888.db2.gz DFZFUSMLARGIJB-MXQLGCADSA-N 0 1 241.281 2.382 20 0 BEADMN Cc1cccc(C(C)(C)NCc2cnnn2C)c1 ZINC000267495879 179028196 /nfs/dbraw/zinc/02/81/96/179028196.db2.gz FOVHFKLGRVJTIC-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN Cc1cccc(C)c1C(=O)N1CCCN(C)CC1 ZINC000270207472 179029988 /nfs/dbraw/zinc/02/99/88/179029988.db2.gz IICOBXOZOUXNPP-UHFFFAOYSA-N 0 1 246.354 2.081 20 0 BEADMN COC(=O)CC1CCC(N[C@@H](C)C(F)F)CC1 ZINC000603428299 349950809 /nfs/dbraw/zinc/95/08/09/349950809.db2.gz GYWMWHQSNABKDB-IDKOKCKLSA-N 0 1 249.301 2.352 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCC(C)C ZINC000636065355 346308319 /nfs/dbraw/zinc/30/83/19/346308319.db2.gz UXEGVJUKTWHQQV-UHFFFAOYSA-N 0 1 223.320 2.113 20 0 BEADMN Cc1cscc1C(=O)N(C)Cc1cn[nH]c1C ZINC000636067540 346308872 /nfs/dbraw/zinc/30/88/72/346308872.db2.gz VGVOJDAQAWBUEA-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)CC(C)C ZINC000636069017 346310323 /nfs/dbraw/zinc/31/03/23/346310323.db2.gz XXHDNDUJNDVRIQ-JTQLQIEISA-N 0 1 237.347 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000636070184 346310696 /nfs/dbraw/zinc/31/06/96/346310696.db2.gz KCPDJZYOZZABFI-DGCLKSJQSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000636070659 346312063 /nfs/dbraw/zinc/31/20/63/346312063.db2.gz ROKVPPNQQZREEY-GNXNZQSNSA-N 0 1 247.342 2.113 20 0 BEADMN CC1(CNc2cccc3[nH]nnc32)CC1 ZINC000641757877 362686434 /nfs/dbraw/zinc/68/64/34/362686434.db2.gz DOMCGYVWEJRINR-UHFFFAOYSA-N 0 1 202.261 2.170 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1 ZINC000336273038 187366863 /nfs/dbraw/zinc/36/68/63/187366863.db2.gz TUUWVULZWXEKAP-ABAIWWIYSA-N 0 1 247.338 2.092 20 0 BEADMN CC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000636203787 346352322 /nfs/dbraw/zinc/35/23/22/346352322.db2.gz DDYUOPAYALCTQY-GYSYKLTISA-N 0 1 247.342 2.208 20 0 BEADMN O=C(NCCCC1CCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636202551 346352916 /nfs/dbraw/zinc/35/29/16/346352916.db2.gz PRAQJTAZMMMJPR-VXGBXAGGSA-N 0 1 247.342 2.210 20 0 BEADMN Cc1cccc(CCCN(C)Cc2nnc[nH]2)c1 ZINC000181141455 179054301 /nfs/dbraw/zinc/05/43/01/179054301.db2.gz JHEIEUQJEWJKDX-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN CC(C)CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000636242611 346366615 /nfs/dbraw/zinc/36/66/15/346366615.db2.gz RJVRGJMUOURUMQ-GHMZBOCLSA-N 0 1 247.342 2.208 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636170897 346344221 /nfs/dbraw/zinc/34/42/21/346344221.db2.gz VEMHREGXBGPCNF-GMTAPVOTSA-N 0 1 235.331 2.066 20 0 BEADMN CC(C)[C@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC000336372757 187367446 /nfs/dbraw/zinc/36/74/46/187367446.db2.gz AAMUIALFOHAHNH-CYBMUJFWSA-N 0 1 221.348 2.431 20 0 BEADMN CSc1nn(C/C=C/c2ccccc2)c(=O)[nH]1 ZINC000188164456 259389294 /nfs/dbraw/zinc/38/92/94/259389294.db2.gz PQVHMTMNRZSORB-VMPITWQZSA-N 0 1 247.323 2.007 20 0 BEADMN CC1=C(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000336340964 187367907 /nfs/dbraw/zinc/36/79/07/187367907.db2.gz JRWZNLBVZOCWMT-CQSZACIVSA-N 0 1 248.370 2.182 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cccnc1 ZINC000020127940 259389339 /nfs/dbraw/zinc/38/93/39/259389339.db2.gz OPAAWIHVNMOWQK-JTQLQIEISA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cccc(CN(C)C(=O)c2ccn[nH]2)c1C ZINC000293605203 179064356 /nfs/dbraw/zinc/06/43/56/179064356.db2.gz HWGFHKVSFKDGCS-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1cccc(CN(C)CC2=CCCOC2)n1 ZINC000353751311 179063463 /nfs/dbraw/zinc/06/34/63/179063463.db2.gz XXBGNBBKIITYJV-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2CCOC2)c1F ZINC000294836555 179069005 /nfs/dbraw/zinc/06/90/05/179069005.db2.gz NVFTZOVSMYYHID-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cccc(CN(C)[C@H](C)C(=O)NC2CC2)c1 ZINC000298865590 179070593 /nfs/dbraw/zinc/07/05/93/179070593.db2.gz ROWSHMNXKFGJNT-GFCCVEGCSA-N 0 1 246.354 2.094 20 0 BEADMN C(CN1CCO[C@@H]2CCC[C@@H]21)OCC1CCC1 ZINC000419198607 192102255 /nfs/dbraw/zinc/10/22/55/192102255.db2.gz CVRPEYMFXHKGCB-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccncc2N)s1 ZINC000641776021 362717377 /nfs/dbraw/zinc/71/73/77/362717377.db2.gz LHLWHUBTKHNSSC-MRVPVSSYSA-N 0 1 248.355 2.280 20 0 BEADMN Cc1cccc(CN(C)C[C@@H]2CC[C@@H](C)O2)n1 ZINC000336698323 179065940 /nfs/dbraw/zinc/06/59/40/179065940.db2.gz VXLKWXOUTXEVGP-OCCSQVGLSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cccc(C[N@@H+](C)CCCC(=O)[O-])c1 ZINC000032013866 179066896 /nfs/dbraw/zinc/06/68/96/179066896.db2.gz DUVULYXSSXOOPE-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN Cc1cccc(CN(C)C[C@@H]2CCCCO2)n1 ZINC000336701582 179067706 /nfs/dbraw/zinc/06/77/06/179067706.db2.gz LUEDCUGNOVJOBK-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CO[C@H]1C[C@H]2C[C@@H](N[C@@H](C)C(F)F)C[C@H]2C1 ZINC000641792848 362729067 /nfs/dbraw/zinc/72/90/67/362729067.db2.gz ZDARZHXTJJAYAZ-QUARPLMYSA-N 0 1 233.302 2.433 20 0 BEADMN CO[C@H]1C[C@H]2C[C@@H](N[C@H](C)C(F)F)C[C@H]2C1 ZINC000641792847 362729132 /nfs/dbraw/zinc/72/91/32/362729132.db2.gz ZDARZHXTJJAYAZ-NZFPMDFQSA-N 0 1 233.302 2.433 20 0 BEADMN C[C@H](N[C@@H]1/C=C/CCCCC1)c1nncn1C ZINC000334216997 346445791 /nfs/dbraw/zinc/44/57/91/346445791.db2.gz WCLLHBWNCHKOMI-TXBNAWBVSA-N 0 1 234.347 2.355 20 0 BEADMN C[C@@H](N[C@H]1/C=C/CCCCC1)c1nncn1C ZINC000334216993 346446061 /nfs/dbraw/zinc/44/60/61/346446061.db2.gz WCLLHBWNCHKOMI-OWVOXGNYSA-N 0 1 234.347 2.355 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2cccc(C)c2)c1C ZINC000082305561 179088285 /nfs/dbraw/zinc/08/82/85/179088285.db2.gz MTMBSTRFSVTDJQ-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CN(C)CC(=O)N1CC[C@@]1(C)C1CCCCC1 ZINC000636386644 346439503 /nfs/dbraw/zinc/43/95/03/346439503.db2.gz JXANDCYSZHEORX-AWEZNQCLSA-N 0 1 238.375 2.119 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(C)ccc1OC ZINC000574955569 346454083 /nfs/dbraw/zinc/45/40/83/346454083.db2.gz XLGIEGATGYVCRR-GXTWGEPZSA-N 0 1 235.327 2.271 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(C)ccc1OC ZINC000574955571 346454387 /nfs/dbraw/zinc/45/43/87/346454387.db2.gz XLGIEGATGYVCRR-OCCSQVGLSA-N 0 1 235.327 2.271 20 0 BEADMN CSCCNCc1nc2ccccc2o1 ZINC000309083743 349964416 /nfs/dbraw/zinc/96/44/16/349964416.db2.gz UIQPOFRKJMRBSU-UHFFFAOYSA-N 0 1 222.313 2.280 20 0 BEADMN CC(C)CC[C@H](O)CN[C@@H](C)c1ccon1 ZINC000309525531 347094822 /nfs/dbraw/zinc/09/48/22/347094822.db2.gz AZBPEAZGRQLGCV-QWRGUYRKSA-N 0 1 226.320 2.122 20 0 BEADMN CC[N@@H+](CCCC(C)(C)C)CC(=O)[O-] ZINC000300792286 346506187 /nfs/dbraw/zinc/50/61/87/346506187.db2.gz COKFFBOWUTYYDN-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN C[C@H](C(=O)N(C)C[C@@H](C)C(C)(C)C)N(C)C ZINC000636428786 346525910 /nfs/dbraw/zinc/52/59/10/346525910.db2.gz QBSDHMZOVTYXHS-GHMZBOCLSA-N 0 1 228.380 2.077 20 0 BEADMN Cc1cccc(N(C)C(=O)[C@H]2CCCN2C)c1 ZINC000264986937 179113720 /nfs/dbraw/zinc/11/37/20/179113720.db2.gz ODBLVOPITUOCBJ-CYBMUJFWSA-N 0 1 232.327 2.052 20 0 BEADMN C[C@H](CN(C)C(=O)Cc1ccn[nH]1)C(C)(C)C ZINC000636432048 346532823 /nfs/dbraw/zinc/53/28/23/346532823.db2.gz OWLYSZRUJAVLJX-SNVBAGLBSA-N 0 1 237.347 2.093 20 0 BEADMN Cc1nc(CN(C)c2cccc(C)c2)n[nH]1 ZINC000292379111 179118029 /nfs/dbraw/zinc/11/80/29/179118029.db2.gz HGCDCNYMZVMCMM-UHFFFAOYSA-N 0 1 216.288 2.058 20 0 BEADMN CC(C)N(Cc1cn2cccnc2n1)C1CC1 ZINC000192795650 365828551 /nfs/dbraw/zinc/82/85/51/365828551.db2.gz UBXCAFWSKLCQIC-UHFFFAOYSA-N 0 1 230.315 2.102 20 0 BEADMN COC[C@@]1(C)CN(Cc2ccccc2C)CCO1 ZINC000626170472 346672564 /nfs/dbraw/zinc/67/25/64/346672564.db2.gz HKXBTKHYWIBVIA-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN C[C@H](C1CC1)N(CC(=O)c1cccn1C)C1CC1 ZINC000192852678 365849332 /nfs/dbraw/zinc/84/93/32/365849332.db2.gz OBFMSVQAROBXBB-LLVKDONJSA-N 0 1 246.354 2.471 20 0 BEADMN Cc1cccc(NC(=O)[C@H](N)c2ccccc2)n1 ZINC000040458831 179139830 /nfs/dbraw/zinc/13/98/30/179139830.db2.gz XAZJWLSJWYHHTG-CYBMUJFWSA-N 0 1 241.294 2.029 20 0 BEADMN CCc1nnc(SCc2ccnc(C)c2)[nH]1 ZINC000621993372 370648669 /nfs/dbraw/zinc/64/86/69/370648669.db2.gz HCBDUNXCWLWDQU-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2ccnc(C)c2)n1 ZINC000621993372 370648673 /nfs/dbraw/zinc/64/86/73/370648673.db2.gz HCBDUNXCWLWDQU-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN Cc1cccc(NCCCc2cnn(C)c2)n1 ZINC000127918544 179145372 /nfs/dbraw/zinc/14/53/72/179145372.db2.gz PHGPJUREWRRTDP-UHFFFAOYSA-N 0 1 230.315 2.168 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000580652941 365847000 /nfs/dbraw/zinc/84/70/00/365847000.db2.gz NYUFRCJTKRMKRT-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN NC(=O)[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC000419205285 192104337 /nfs/dbraw/zinc/10/43/37/192104337.db2.gz JREJJMIKLGVYNW-AWEZNQCLSA-N 0 1 244.338 2.303 20 0 BEADMN CC(C)c1nc(CSC[C@H]2CCCO2)n[nH]1 ZINC000589855589 346746617 /nfs/dbraw/zinc/74/66/17/346746617.db2.gz LMPSPJNDRCEIPE-SECBINFHSA-N 0 1 241.360 2.340 20 0 BEADMN CC[C@@H]1CC[C@H]1NCc1nn(C)cc1Cl ZINC000449481913 201939032 /nfs/dbraw/zinc/93/90/32/201939032.db2.gz WQNLZFRQLMXPPH-PSASIEDQSA-N 0 1 227.739 2.352 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ncccc1CC ZINC000582042669 347118622 /nfs/dbraw/zinc/11/86/22/347118622.db2.gz VSGNDHLETNMNGE-WCFLWFBJSA-N 0 1 234.343 2.472 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1ccc(F)cc1O ZINC000388042508 347163768 /nfs/dbraw/zinc/16/37/68/347163768.db2.gz QIWTZEYBGOSHJT-BDAKNGLRSA-N 0 1 237.274 2.307 20 0 BEADMN C[C@H]1CC[C@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC000582069770 347166797 /nfs/dbraw/zinc/16/67/97/347166797.db2.gz SEMWPHMDXHKODV-CZWJUEIWSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cccc(Sc2nccnc2CN)c1 ZINC000054378858 179176673 /nfs/dbraw/zinc/17/66/73/179176673.db2.gz FLSTZTJMWXPLNX-UHFFFAOYSA-N 0 1 231.324 2.395 20 0 BEADMN CCc1nc(CN2c3ccccc3C[C@H]2C)n[nH]1 ZINC000185171747 347192431 /nfs/dbraw/zinc/19/24/31/347192431.db2.gz OVLGFFZPWQTZAH-SNVBAGLBSA-N 0 1 242.326 2.318 20 0 BEADMN CC[C@@H](NCC(C)(F)F)[C@@H]1CCOC1 ZINC000382156484 347204617 /nfs/dbraw/zinc/20/46/17/347204617.db2.gz RIVGDOGIGUZXQN-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1cccc([C@@H](C)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338381910 179181344 /nfs/dbraw/zinc/18/13/44/179181344.db2.gz LOGMHXLZWIRTNY-YUELXQCFSA-N 0 1 247.338 2.156 20 0 BEADMN Cc1cccc([C@H](C)N(C)[C@@H]2CCN(C)C2=O)c1 ZINC000266721711 179193400 /nfs/dbraw/zinc/19/34/00/179193400.db2.gz HZSSYQIQFVSRSQ-GXTWGEPZSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1sc(C(=O)[O-])cc1C[N@H+](C)C1CC1 ZINC000087794338 362788285 /nfs/dbraw/zinc/78/82/85/362788285.db2.gz BIMHCRRMLXDLID-UHFFFAOYSA-N 0 1 225.313 2.349 20 0 BEADMN Cc1ccccc1N(C)C(=O)CN(C)C(C)C ZINC000623047339 347299017 /nfs/dbraw/zinc/29/90/17/347299017.db2.gz XEQQVTLWAAPDON-UHFFFAOYSA-N 0 1 234.343 2.298 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)Cc1cnc[nH]1 ZINC000188240237 347275769 /nfs/dbraw/zinc/27/57/69/347275769.db2.gz ZLHVPTHCLABRJC-ZDUSSCGKSA-N 0 1 230.315 2.388 20 0 BEADMN CCN(Cc1cn(C(C)(C)C)nn1)C(C)C ZINC000191211888 347345762 /nfs/dbraw/zinc/34/57/62/347345762.db2.gz UWLGZPPPGKRJNV-UHFFFAOYSA-N 0 1 224.352 2.263 20 0 BEADMN Cc1cc(CC(=O)N(C)c2ccccc2C)n[nH]1 ZINC000623047530 347303886 /nfs/dbraw/zinc/30/38/86/347303886.db2.gz FITSZIVGQNMGHJ-UHFFFAOYSA-N 0 1 243.310 2.232 20 0 BEADMN CCc1cnc(CNC[C@H]2CCC=CO2)s1 ZINC000189565538 347304559 /nfs/dbraw/zinc/30/45/59/347304559.db2.gz VZLNNPMSFFQWCR-SNVBAGLBSA-N 0 1 238.356 2.488 20 0 BEADMN CCOc1ccccc1[C@@H](C)NCC[NH+](C)C ZINC000022143535 347404724 /nfs/dbraw/zinc/40/47/24/347404724.db2.gz ZKGFYZNDDRRJRJ-GFCCVEGCSA-N 0 1 236.359 2.298 20 0 BEADMN CCN(CCC1CC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000581262420 347372266 /nfs/dbraw/zinc/37/22/66/347372266.db2.gz ONMHNBFOOOTBDI-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC1(C)CCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000193458995 347397560 /nfs/dbraw/zinc/39/75/60/347397560.db2.gz ROTJRYYKUAKZRZ-NSHDSACASA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H]1CC=C(C(=O)N(C)Cc2cnc[nH]2)CC1 ZINC000616921783 347451444 /nfs/dbraw/zinc/45/14/44/347451444.db2.gz CCMKTHFVZNGKKM-JTQLQIEISA-N 0 1 233.315 2.115 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCc1ccccc1 ZINC000616921828 347451532 /nfs/dbraw/zinc/45/15/32/347451532.db2.gz DZJVTPVAADXGMO-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@]1(C)CC=CCC1 ZINC000616922318 347452745 /nfs/dbraw/zinc/45/27/45/347452745.db2.gz XVPOYSAOGGHAHB-CYBMUJFWSA-N 0 1 233.315 2.115 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)o2)C[C@@H]1C ZINC000628299382 347422672 /nfs/dbraw/zinc/42/26/72/347422672.db2.gz NLFMMPDRLXFVCL-GXFFZTMASA-N 0 1 238.331 2.230 20 0 BEADMN C[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928694 347495160 /nfs/dbraw/zinc/49/51/60/347495160.db2.gz JEQXZEAIIFMCNJ-MFKMUULPSA-N 0 1 235.331 2.194 20 0 BEADMN C[C@H]1CCC[C@@H]1CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927404 347459463 /nfs/dbraw/zinc/45/94/63/347459463.db2.gz IFFCTFKUGGATRA-WDEREUQCSA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@H]1CCCCN1C(=O)c1ccc(CN)o1 ZINC000011628071 347462442 /nfs/dbraw/zinc/46/24/42/347462442.db2.gz JJMWQACHAJWKNQ-JTQLQIEISA-N 0 1 236.315 2.143 20 0 BEADMN CC[C@]1(C)COCCN1CCOCC1CCC1 ZINC000419228848 192107001 /nfs/dbraw/zinc/10/70/01/192107001.db2.gz NGSLGXDXNSJKON-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CCC1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000617011726 347581925 /nfs/dbraw/zinc/58/19/25/347581925.db2.gz LAXWXZSRYHLNMY-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccccc1C[N@@H+](C)CCCC(=O)[O-] ZINC000032013865 179270758 /nfs/dbraw/zinc/27/07/58/179270758.db2.gz OUDGGMIHWLATLG-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C1CC1 ZINC000591159251 347626675 /nfs/dbraw/zinc/62/66/75/347626675.db2.gz FILRONOCAYGAAM-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(CNCc2[nH]nc3ccccc32)on1 ZINC000591709221 347687613 /nfs/dbraw/zinc/68/76/13/347687613.db2.gz XYRVRWIQSQIRDW-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC000075842403 179277978 /nfs/dbraw/zinc/27/79/78/179277978.db2.gz QVHPEADCVWOJDQ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CS[C@H](C)CCc1nc([C@H]2CCCN2)no1 ZINC000592357071 347772680 /nfs/dbraw/zinc/77/26/80/347772680.db2.gz RWXRKPMUPFLFLB-RKDXNWHRSA-N 0 1 241.360 2.178 20 0 BEADMN CCN(CCn1cc(C)cn1)CCC(F)(F)F ZINC000592419264 347775394 /nfs/dbraw/zinc/77/53/94/347775394.db2.gz KSACNFFWERUINH-UHFFFAOYSA-N 0 1 249.280 2.466 20 0 BEADMN CN(c1ncc(Cl)s1)[C@H]1CCCN(C)C1 ZINC000679633321 488360911 /nfs/dbraw/zinc/36/09/11/488360911.db2.gz BIXAQICPSZYDQK-QMMMGPOBSA-N 0 1 245.779 2.327 20 0 BEADMN CCN(CCSC)Cc1c(C)noc1C ZINC000592201701 347753675 /nfs/dbraw/zinc/75/36/75/347753675.db2.gz DZCFTRWZPFRZCD-UHFFFAOYSA-N 0 1 228.361 2.476 20 0 BEADMN Cc1ccccc1Cc1noc([C@H]2CCN2)n1 ZINC000335078230 179293635 /nfs/dbraw/zinc/29/36/35/179293635.db2.gz OFUGXOJQEYLMRV-LLVKDONJSA-N 0 1 229.283 2.003 20 0 BEADMN Cc1ccccc1NC(=O)[C@H]1CCCN1C ZINC000082320772 179301298 /nfs/dbraw/zinc/30/12/98/179301298.db2.gz NQERAKJHQONSKV-GFCCVEGCSA-N 0 1 218.300 2.028 20 0 BEADMN FC(F)O[C@H]1CCCN(CCOCC2CC2)C1 ZINC000679682105 488364223 /nfs/dbraw/zinc/36/42/23/488364223.db2.gz MBWPOJOPMKSEMR-NSHDSACASA-N 0 1 249.301 2.117 20 0 BEADMN Cc1ccccc1NC(=O)c1ncccc1O ZINC000037760608 179303944 /nfs/dbraw/zinc/30/39/44/179303944.db2.gz XDMBKPRAROMTRI-UHFFFAOYSA-N 0 1 228.251 2.348 20 0 BEADMN COC(=O)c1occc1CNC1(C2CCC2)CC1 ZINC000593080987 347851252 /nfs/dbraw/zinc/85/12/52/347851252.db2.gz OMGLLIBQHXFPLR-UHFFFAOYSA-N 0 1 249.310 2.489 20 0 BEADMN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593099844 347856920 /nfs/dbraw/zinc/85/69/20/347856920.db2.gz JEQSYUVAYPQLGI-ZQIUZPCESA-N 0 1 249.379 2.009 20 0 BEADMN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593099845 347857120 /nfs/dbraw/zinc/85/71/20/347857120.db2.gz JEQSYUVAYPQLGI-GRDNDAEWSA-N 0 1 249.379 2.009 20 0 BEADMN Cc1ccccc1OCCN(C)Cc1cnc[nH]1 ZINC000179771579 179311330 /nfs/dbraw/zinc/31/13/30/179311330.db2.gz QDCUEDXDQGKQSP-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN CCCN1CCN(Cc2ccc(C)o2)CC1 ZINC000112120126 323164801 /nfs/dbraw/zinc/16/48/01/323164801.db2.gz FKTSEJYULUZCHI-UHFFFAOYSA-N 0 1 222.332 2.116 20 0 BEADMN CCCCCN(CC(=O)OC)C(C)C ZINC000042249894 347877562 /nfs/dbraw/zinc/87/75/62/347877562.db2.gz LVPSOHPNNTUDKV-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN C[C@@H]1C(=O)NCCN1C[C@H]1CCCC(C)(C)C1 ZINC000535083685 323165856 /nfs/dbraw/zinc/16/58/56/323165856.db2.gz WTHTVBRRDSWNPQ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000628300237 347885344 /nfs/dbraw/zinc/88/53/44/347885344.db2.gz WHXYVTZGVNPOKC-OCCSQVGLSA-N 0 1 231.343 2.339 20 0 BEADMN CCCCN(CCCC)CC(=O)OC ZINC000020360948 259398866 /nfs/dbraw/zinc/39/88/66/259398866.db2.gz ACICPFBPUFORSF-UHFFFAOYSA-N 0 1 201.310 2.062 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)N1CCNC[C@@H]1C ZINC000577371356 365936583 /nfs/dbraw/zinc/93/65/83/365936583.db2.gz ZYTYKLIMMCZGBT-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN COC[C@H](C)N(C)Cc1ccc(OC)cc1F ZINC000577379779 365939303 /nfs/dbraw/zinc/93/93/03/365939303.db2.gz OQTHZLQFMSAYAW-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN Cc1ccccc1[C@@H](NC(=O)CN(C)C)C1CC1 ZINC000264846625 179324964 /nfs/dbraw/zinc/32/49/64/179324964.db2.gz KJGPREKRPUHLIA-HNNXBMFYSA-N 0 1 246.354 2.124 20 0 BEADMN Cc1nocc1CNC[C@H](O)c1ccccc1C ZINC000293528120 179326522 /nfs/dbraw/zinc/32/65/22/179326522.db2.gz JEUFHAPOCXCAGI-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1cc(CNC(=O)c2cccc(Cl)c2)n[nH]1 ZINC000603485704 349978916 /nfs/dbraw/zinc/97/89/16/349978916.db2.gz WLGNHUMZFHJKSA-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN Cc1cc(CNC(=O)C2CCCCCC2)n[nH]1 ZINC000603486834 349978994 /nfs/dbraw/zinc/97/89/94/349978994.db2.gz VQJFIKXVVPMLDS-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CCC[C@@H](C)CC(=O)NCc1cc(C)[nH]n1 ZINC000603485684 349979324 /nfs/dbraw/zinc/97/93/24/349979324.db2.gz IVJGSQPBPLLJIJ-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN Cc1cc(CNC(=O)CC2CCCCC2)n[nH]1 ZINC000603486162 349979348 /nfs/dbraw/zinc/97/93/48/349979348.db2.gz QDZISHJPWFYZFY-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CC[C@@H]1CCC[C@H](NCc2ncn(C)n2)CC1 ZINC000233918431 490123782 /nfs/dbraw/zinc/12/37/82/490123782.db2.gz YKRQXBKAPSVWRK-NEPJUHHUSA-N 0 1 236.363 2.264 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)C1CCC1 ZINC000297050729 179341363 /nfs/dbraw/zinc/34/13/63/179341363.db2.gz YNVIDEMKETXKAU-ZDUSSCGKSA-N 0 1 232.327 2.006 20 0 BEADMN CCc1nc([C@@H](C)S[C@@H](C)C(C)=O)n[nH]1 ZINC000594891975 348125705 /nfs/dbraw/zinc/12/57/05/348125705.db2.gz ZJGOFQCBPZHPGR-JGVFFNPUSA-N 0 1 227.333 2.139 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]2C2CC2)c(C)o1 ZINC000594609208 348081123 /nfs/dbraw/zinc/08/11/23/348081123.db2.gz HGEHVHFAZVPUNN-LBPRGKRZSA-N 0 1 249.310 2.359 20 0 BEADMN CCc1nc([C@@H](C)[S@@](=O)c2ccccc2)n[nH]1 ZINC000594660363 348093915 /nfs/dbraw/zinc/09/39/15/348093915.db2.gz LJZNXDKRLWAVHM-VVVCHXIZSA-N 0 1 249.339 2.236 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)C(CC)CC)n[nH]1 ZINC000594665219 348094441 /nfs/dbraw/zinc/09/44/41/348094441.db2.gz URFXMQPKAFUDFZ-ZKANADHPSA-N 0 1 243.376 2.365 20 0 BEADMN CCc1cc(CN[C@H](C)CSCCF)on1 ZINC000595029347 348174095 /nfs/dbraw/zinc/17/40/95/348174095.db2.gz XDEIVUCHJQWTFY-SECBINFHSA-N 0 1 246.351 2.418 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCC[C@@H]1C(=O)OC ZINC000595303949 348221721 /nfs/dbraw/zinc/22/17/21/348221721.db2.gz ROHUTSWYQOIHAY-VHSXEESVSA-N 0 1 249.301 2.305 20 0 BEADMN C(CN1CCOC2(CCC2)C1)OCC1CCC1 ZINC000419235348 192112848 /nfs/dbraw/zinc/11/28/48/192112848.db2.gz YVKXHFNOEFOZKV-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN C[C@H](CSCCF)N[C@H](C)c1ccn(C)n1 ZINC000595050410 348180627 /nfs/dbraw/zinc/18/06/27/348180627.db2.gz HLJPIACYWYEKCD-NXEZZACHSA-N 0 1 245.367 2.162 20 0 BEADMN Cc1ccnc(NCCOCC(F)(F)F)c1 ZINC000082627727 348190429 /nfs/dbraw/zinc/19/04/29/348190429.db2.gz NPDJGQYVODREHQ-UHFFFAOYSA-N 0 1 234.221 2.381 20 0 BEADMN CCOC(=O)[C@H]1CCC[N@H+]1CCC=C(C)C ZINC000595438300 348250437 /nfs/dbraw/zinc/25/04/37/348250437.db2.gz GBAOMLLROLKMOO-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CCC=C(C)C ZINC000595438300 348250442 /nfs/dbraw/zinc/25/04/42/348250442.db2.gz GBAOMLLROLKMOO-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)[O-])CC1 ZINC000251378518 362868092 /nfs/dbraw/zinc/86/80/92/362868092.db2.gz YROAJHNTKKZQID-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CC1(C)C[S@](=O)CCN1CCC1CCC1 ZINC000595452403 348254082 /nfs/dbraw/zinc/25/40/82/348254082.db2.gz KLLDDKOSTJMHBM-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@@H]1CN(CCC2CCC2)C[C@H](C)[S@@]1=O ZINC000595454762 348254491 /nfs/dbraw/zinc/25/44/91/348254491.db2.gz NHRBWIGJGIMPFN-QHBPRCKVSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@@H]1CCN(CCC2CCC2)CC[S@@]1=O ZINC000595458666 348256065 /nfs/dbraw/zinc/25/60/65/348256065.db2.gz JSDQSXSIPJDLNW-ABAIWWIYSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@@H]1CCN(CCCC2CCC2)CC[S@@]1=O ZINC000595458595 348256149 /nfs/dbraw/zinc/25/61/49/348256149.db2.gz IXZCWVZMDQQOHC-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN Cc1cccnc1CN1CCSC[C@@H]1C ZINC000180504780 179376265 /nfs/dbraw/zinc/37/62/65/179376265.db2.gz JVGDUEZDJLTDAX-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN COC(=O)CN(CCC=C(C)C)C(C)C ZINC000595360546 348230386 /nfs/dbraw/zinc/23/03/86/348230386.db2.gz ODPAMRFFDPPACX-UHFFFAOYSA-N 0 1 213.321 2.226 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCC1CCC1 ZINC000595375076 348232934 /nfs/dbraw/zinc/23/29/34/348232934.db2.gz MNGKHROLEOWULM-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCOCC1CCC1 ZINC000419307671 192120324 /nfs/dbraw/zinc/12/03/24/192120324.db2.gz NZPIRTLKPPQDFG-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1nocc1C[N@H+](C)C[C@H](CC)OC ZINC000419279934 192122216 /nfs/dbraw/zinc/12/22/16/192122216.db2.gz INXKPOVVKNLNFY-NSHDSACASA-N 0 1 226.320 2.094 20 0 BEADMN CCc1nocc1CN(C)C[C@H](CC)OC ZINC000419279934 192122218 /nfs/dbraw/zinc/12/22/18/192122218.db2.gz INXKPOVVKNLNFY-NSHDSACASA-N 0 1 226.320 2.094 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC000595742209 348319807 /nfs/dbraw/zinc/31/98/07/348319807.db2.gz XSFWJCPEDSHKQB-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@@H]2C[C@@H]2C1 ZINC000595808536 348349051 /nfs/dbraw/zinc/34/90/51/348349051.db2.gz NORLTQHKGLAYTH-IJLUTSLNSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]3C[C@@H]3C2)c(C)o1 ZINC000595808676 348349439 /nfs/dbraw/zinc/34/94/39/348349439.db2.gz PBLJQCOUZMOBQD-ZYHUDNBSSA-N 0 1 249.310 2.216 20 0 BEADMN CC(C)SCCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595711604 348323863 /nfs/dbraw/zinc/32/38/63/348323863.db2.gz APVGFMNVXMQQHV-GHMZBOCLSA-N 0 1 229.389 2.285 20 0 BEADMN CO[C@H](C)CN(C)Cc1scnc1C1CC1 ZINC000348838942 538001934 /nfs/dbraw/zinc/00/19/34/538001934.db2.gz RUPNIWROZJQSKR-SECBINFHSA-N 0 1 240.372 2.487 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@H](CCF)C1 ZINC000595755754 348330263 /nfs/dbraw/zinc/33/02/63/348330263.db2.gz PRDPTQJZPDDABS-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN CO[C@@H](CNCc1cc(C2CC2)no1)C(C)C ZINC000638702522 352538360 /nfs/dbraw/zinc/53/83/60/352538360.db2.gz OPNNEDCOOLEUMF-ZDUSSCGKSA-N 0 1 238.331 2.313 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1N[C@H](C(N)=O)c1ccccc1 ZINC000419329916 192122953 /nfs/dbraw/zinc/12/29/53/192122953.db2.gz PFFDXVUBADEJNP-IPYPFGDCSA-N 0 1 246.354 2.237 20 0 BEADMN CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419330191 192122994 /nfs/dbraw/zinc/12/29/94/192122994.db2.gz BNCGWQIWHAEODB-GRYCIOLGSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419330191 192122995 /nfs/dbraw/zinc/12/29/95/192122995.db2.gz BNCGWQIWHAEODB-GRYCIOLGSA-N 0 1 236.363 2.335 20 0 BEADMN CC[C@H](CN[C@H](C)c1c(F)cncc1F)OC ZINC000419283998 192123073 /nfs/dbraw/zinc/12/30/73/192123073.db2.gz SJNPQEMSRVQMES-RKDXNWHRSA-N 0 1 244.285 2.435 20 0 BEADMN C/C=C\C[C@H](CO)NCc1ccncc1Cl ZINC000623495052 362919153 /nfs/dbraw/zinc/91/91/53/362919153.db2.gz OIAINRMVYFTYHJ-OTDNITJGSA-N 0 1 240.734 2.152 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)C1 ZINC000595831508 348365684 /nfs/dbraw/zinc/36/56/84/348365684.db2.gz DFVPHXAWZJJPOY-PWSUYJOCSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000419359902 192126723 /nfs/dbraw/zinc/12/67/23/192126723.db2.gz RSKRNNAPGGUFBZ-AXFHLTTASA-N 0 1 236.363 2.404 20 0 BEADMN CCC(CC)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000675453763 490166256 /nfs/dbraw/zinc/16/62/56/490166256.db2.gz ADSGSTKPAUMXFV-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@H](CNCc1cc(C2CC2)no1)C(C)C ZINC000638702521 352538959 /nfs/dbraw/zinc/53/89/59/352538959.db2.gz OPNNEDCOOLEUMF-CYBMUJFWSA-N 0 1 238.331 2.313 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc(C2CC2)[nH]1 ZINC000419373427 192129540 /nfs/dbraw/zinc/12/95/40/192129540.db2.gz OEANNUPLLDEQIV-KXUCPTDWSA-N 0 1 234.347 2.158 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nnc3n2CCCC3)C[C@H]1C ZINC000419364600 192127492 /nfs/dbraw/zinc/12/74/92/192127492.db2.gz WTNAKRXIDJDHCY-IJLUTSLNSA-N 0 1 248.374 2.091 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000603522503 349991367 /nfs/dbraw/zinc/99/13/67/349991367.db2.gz UNYZZGAFHWVKPU-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN CCSCCNCc1ccn(C(C)C)n1 ZINC000308776145 348543176 /nfs/dbraw/zinc/54/31/76/348543176.db2.gz AKEDCVZRWYHUPO-UHFFFAOYSA-N 0 1 227.377 2.307 20 0 BEADMN Cc1ccsc1[C@H](C)NCc1cnnn1C ZINC000287410841 179555202 /nfs/dbraw/zinc/55/52/02/179555202.db2.gz RNJGELVMPROEIJ-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN CCOC(=O)c1cc(-c2ncc(C)cc2C)n[nH]1 ZINC000596646749 348604617 /nfs/dbraw/zinc/60/46/17/348604617.db2.gz WODSRGVUDXKSND-UHFFFAOYSA-N 0 1 245.282 2.265 20 0 BEADMN CCC(O)(CC)CCNCc1nccs1 ZINC000389972548 538010552 /nfs/dbraw/zinc/01/05/52/538010552.db2.gz CRBSSWAGOHENNO-UHFFFAOYSA-N 0 1 228.361 2.174 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000054053208 348849560 /nfs/dbraw/zinc/84/95/60/348849560.db2.gz KSJOEJGJJHGLRL-MRVPVSSYSA-N 0 1 233.271 2.026 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000054053229 348849798 /nfs/dbraw/zinc/84/97/98/348849798.db2.gz XWXXFIGQTMOFFV-LURJTMIESA-N 0 1 239.225 2.295 20 0 BEADMN Cc1cc([C@H]2CCC[N@H+]2CCn2cccn2)on1 ZINC000049983368 348869235 /nfs/dbraw/zinc/86/92/35/348869235.db2.gz UFEALVYARDWEBA-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1cc([C@H]2CCCN2CCn2cccn2)on1 ZINC000049983368 348869238 /nfs/dbraw/zinc/86/92/38/348869238.db2.gz UFEALVYARDWEBA-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN c1[nH]nnc1CSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000598718023 349026591 /nfs/dbraw/zinc/02/65/91/349026591.db2.gz IWXJWZWRIASALI-KXUCPTDWSA-N 0 1 223.345 2.474 20 0 BEADMN CCc1cnc(CN(CCO)[C@H](C)CC)s1 ZINC000628302292 349093173 /nfs/dbraw/zinc/09/31/73/349093173.db2.gz XXDRYTBVTMKEBT-SNVBAGLBSA-N 0 1 242.388 2.298 20 0 BEADMN Cc1ccc(Oc2nccnc2CN)cc1C ZINC000054378460 1172112315 /nfs/dbraw/zinc/11/23/15/1172112315.db2.gz RBUAHGSPXGOEPY-UHFFFAOYSA-N 0 1 229.283 2.344 20 0 BEADMN CSCC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000252913692 349215184 /nfs/dbraw/zinc/21/51/84/349215184.db2.gz OQCIRRHDQVCDIT-VWYCJHECSA-N 0 1 243.372 2.067 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000253063258 349226517 /nfs/dbraw/zinc/22/65/17/349226517.db2.gz GNLICJASKJLLSU-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000253162977 349228245 /nfs/dbraw/zinc/22/82/45/349228245.db2.gz WJWSBRBKOHVWAZ-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1n[nH]cc1CNCc1cn(C(C)C)nc1C ZINC000281299396 179856022 /nfs/dbraw/zinc/85/60/22/179856022.db2.gz JCFWMJJZCVCTLR-UHFFFAOYSA-N 0 1 247.346 2.094 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2cc[nH]n2)CS1 ZINC000308998678 349268010 /nfs/dbraw/zinc/26/80/10/349268010.db2.gz NHSNAXNXSAKKFZ-GHMZBOCLSA-N 0 1 225.361 2.029 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2cc[nH]n2)CS1 ZINC000308998680 349268032 /nfs/dbraw/zinc/26/80/32/349268032.db2.gz NHSNAXNXSAKKFZ-QWRGUYRKSA-N 0 1 225.361 2.029 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1sccc1OC ZINC000309043819 349399936 /nfs/dbraw/zinc/39/99/36/349399936.db2.gz MYWWTSYGBVPCCW-WPRPVWTQSA-N 0 1 227.329 2.024 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914721 350073944 /nfs/dbraw/zinc/07/39/44/350073944.db2.gz BADAHXCPUJBWRX-SECBINFHSA-N 0 1 239.237 2.126 20 0 BEADMN CSCCN1CCOc2ccccc2C1 ZINC000603869779 350046607 /nfs/dbraw/zinc/04/66/07/350046607.db2.gz LLJGJJYVEMUYMX-UHFFFAOYSA-N 0 1 223.341 2.244 20 0 BEADMN CCNC(=O)CN1CCc2ccccc2[C@@H]1CC ZINC000603967942 350060892 /nfs/dbraw/zinc/06/08/92/350060892.db2.gz JGTGAYVCQYSVEZ-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H](C)CC(C)C)[nH]1 ZINC000103258579 180006295 /nfs/dbraw/zinc/00/62/95/180006295.db2.gz BPJYMYLMTACMIL-QMMMGPOBSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCCCC2)[nH]1 ZINC000336279628 180034124 /nfs/dbraw/zinc/03/41/24/180034124.db2.gz AUMJMNFOOLDYIK-SECBINFHSA-N 0 1 208.309 2.050 20 0 BEADMN Cc1nc([C@@H](C)SC[C@@H]2CCCO2)n[nH]1 ZINC000334057437 180039358 /nfs/dbraw/zinc/03/93/58/180039358.db2.gz WFKJECKSQIGATI-APPZFPTMSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@@H](C)SC[C@H]2CCCO2)n[nH]1 ZINC000334057440 180040349 /nfs/dbraw/zinc/04/03/49/180040349.db2.gz WFKJECKSQIGATI-VXNVDRBHSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@H](C)N2CCS[C@H](C)CC2)n[nH]1 ZINC000334812270 180047443 /nfs/dbraw/zinc/04/74/43/180047443.db2.gz LYXFGUDOKVJXOJ-BDAKNGLRSA-N 0 1 240.376 2.002 20 0 BEADMN Cc1nc([C@H](C)NC[C@H](O)C(C)C)cs1 ZINC000158859021 180048518 /nfs/dbraw/zinc/04/85/18/180048518.db2.gz WRAROSRIAOILKX-KWQFWETISA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc([C@H](C)NC[C@](C)(O)C2CC2)cs1 ZINC000336680683 180049597 /nfs/dbraw/zinc/04/95/97/180049597.db2.gz RGVFECNQMXGHSU-UFBFGSQYSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@H]2C)[nH]1 ZINC000294215242 180062088 /nfs/dbraw/zinc/06/20/88/180062088.db2.gz RDVCEBLBVHOXHC-DTWKUNHWSA-N 0 1 243.310 2.352 20 0 BEADMN CC(C)(C)n1ncnc1CNCC1(C)CCC1 ZINC000337311863 538053079 /nfs/dbraw/zinc/05/30/79/538053079.db2.gz VJOOHMUUXCJDCB-UHFFFAOYSA-N 0 1 236.363 2.313 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304199083 350148638 /nfs/dbraw/zinc/14/86/38/350148638.db2.gz VVGZZQVSTQZATK-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000304197058 350148921 /nfs/dbraw/zinc/14/89/21/350148921.db2.gz UWYIDVPESRCNAG-ONGXEEELSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1nc2c(s1)[C@@H](NCCF)CCC2 ZINC000280991673 180074302 /nfs/dbraw/zinc/07/43/02/180074302.db2.gz JVRWSLRTRQWSSJ-QMMMGPOBSA-N 0 1 214.309 2.388 20 0 BEADMN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCOC1)CO2 ZINC000334290652 538062507 /nfs/dbraw/zinc/06/25/07/538062507.db2.gz CLAMJIWJWCAVMY-PWSUYJOCSA-N 0 1 237.274 2.028 20 0 BEADMN CC(C)[N@@H+](C)CCN[C@@H](C)c1cncs1 ZINC000133143786 191037595 /nfs/dbraw/zinc/03/75/95/191037595.db2.gz IWEIHGWJSPIXML-JTQLQIEISA-N 0 1 227.377 2.134 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC1(C)C ZINC000336386192 180110709 /nfs/dbraw/zinc/11/07/09/180110709.db2.gz QPSQZFNMWNAQSG-QWRGUYRKSA-N 0 1 234.347 2.200 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2NC1CC2(CCC2)C1 ZINC000336470785 180111102 /nfs/dbraw/zinc/11/11/02/180111102.db2.gz SHZDEXZIKLCHEN-LBPRGKRZSA-N 0 1 246.358 2.344 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1nc(C)no1 ZINC000133266369 191039386 /nfs/dbraw/zinc/03/93/86/191039386.db2.gz DPCVDHJXOMPDJG-NXEZZACHSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1ncc(CN(C)CCC(C)(C)O)s1 ZINC000267362407 180136735 /nfs/dbraw/zinc/13/67/35/180136735.db2.gz CPVSEMMQXAOMDP-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN COc1ccncc1CN1[C@@H](C)C[C@@H]1C ZINC000334336953 538066170 /nfs/dbraw/zinc/06/61/70/538066170.db2.gz ULMNFDOLCAJCQA-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN Cc1ncc(C(=O)N(CC2CC2)C2CCC2)[nH]1 ZINC000339298083 180124242 /nfs/dbraw/zinc/12/42/42/180124242.db2.gz UNOOPJTZOCYFQU-UHFFFAOYSA-N 0 1 233.315 2.123 20 0 BEADMN CCCc1ncc(CN[C@@H](CC)COC)o1 ZINC000449613061 201987068 /nfs/dbraw/zinc/98/70/68/201987068.db2.gz QNWAUBWCUOXELY-JTQLQIEISA-N 0 1 226.320 2.142 20 0 BEADMN Cc1ncc(CNCc2cccc(CO)c2)s1 ZINC000222112926 180154508 /nfs/dbraw/zinc/15/45/08/180154508.db2.gz YSYNCMOXFXTXJB-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN Cc1ncc(CNCc2cccn2C)s1 ZINC000050596170 180154811 /nfs/dbraw/zinc/15/48/11/180154811.db2.gz ASYGMASPNFGLTA-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCOC2)n1 ZINC000042155226 191065530 /nfs/dbraw/zinc/06/55/30/191065530.db2.gz WPNCTYBPAQIFSU-MRVPVSSYSA-N 0 1 241.360 2.231 20 0 BEADMN CC(C)(C)c1nc(SC[C@@H]2CCOC2)n[nH]1 ZINC000042155226 191065532 /nfs/dbraw/zinc/06/55/32/191065532.db2.gz WPNCTYBPAQIFSU-MRVPVSSYSA-N 0 1 241.360 2.231 20 0 BEADMN CC(C)(C)c1n[nH]c(SC[C@H]2CCOC2)n1 ZINC000042155227 191065634 /nfs/dbraw/zinc/06/56/34/191065634.db2.gz WPNCTYBPAQIFSU-QMMMGPOBSA-N 0 1 241.360 2.231 20 0 BEADMN CC(C)(C)c1nc(SC[C@H]2CCOC2)n[nH]1 ZINC000042155227 191065636 /nfs/dbraw/zinc/06/56/36/191065636.db2.gz WPNCTYBPAQIFSU-QMMMGPOBSA-N 0 1 241.360 2.231 20 0 BEADMN Cc1ncc(CN[C@H](C)c2ccnn2C)s1 ZINC000235231026 180158552 /nfs/dbraw/zinc/15/85/52/180158552.db2.gz PYJPOAUNMCSORW-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN CC(C)[C@H](C(=O)Nc1cccc(F)c1)N(C)C ZINC000106407830 191068539 /nfs/dbraw/zinc/06/85/39/191068539.db2.gz KBMOEQGITCBPPX-GFCCVEGCSA-N 0 1 238.306 2.350 20 0 BEADMN Cc1ncc([C@H](C)N[C@@H](C)c2cn[nH]c2)c(C)n1 ZINC000271494425 180173731 /nfs/dbraw/zinc/17/37/31/180173731.db2.gz LHUVBJHBSVAWEQ-IUCAKERBSA-N 0 1 245.330 2.228 20 0 BEADMN Cc1ccc(C(=O)N2CCCN(C)CC2)c(C)c1 ZINC000003258783 350185461 /nfs/dbraw/zinc/18/54/61/350185461.db2.gz DCXSKSGWULNTDK-UHFFFAOYSA-N 0 1 246.354 2.081 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000427417098 191074246 /nfs/dbraw/zinc/07/42/46/191074246.db2.gz ZBSFLUUCVADQQT-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCCCC[S@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427471652 191076687 /nfs/dbraw/zinc/07/66/87/191076687.db2.gz ZKZMSGSYVYEGNL-INIZCTEOSA-N 0 1 243.376 2.367 20 0 BEADMN Cc1nccc(N2CC[C@@H]([C@@H](C)O)C2)c1Cl ZINC000335557870 180193785 /nfs/dbraw/zinc/19/37/85/180193785.db2.gz FEYGSTQQCIPLNT-NXEZZACHSA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(NCC(C)(C)O)c1Cl ZINC000307732652 180198133 /nfs/dbraw/zinc/19/81/33/180198133.db2.gz QDTAKQPQJJIYFC-UHFFFAOYSA-N 0 1 214.696 2.226 20 0 BEADMN Cc1nccc(CN2CCS[C@H](C)[C@H]2C)n1 ZINC000336435665 180186027 /nfs/dbraw/zinc/18/60/27/180186027.db2.gz ILJFGLTVYBQKJA-NXEZZACHSA-N 0 1 237.372 2.111 20 0 BEADMN CO[C@@H]1CN([C@@H](C)c2cnc(C)cn2)CC[C@@H]1C ZINC000428495804 191080595 /nfs/dbraw/zinc/08/05/95/191080595.db2.gz OVHFDQJZPBCNSH-VHRBIJSZSA-N 0 1 249.358 2.203 20 0 BEADMN CCN(CC(=O)OC)CC1CCCCC1 ZINC000049947686 350267761 /nfs/dbraw/zinc/26/77/61/350267761.db2.gz QFNKVNZZEBSIIE-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2ncccc2c1 ZINC000038017829 350299186 /nfs/dbraw/zinc/29/91/86/350299186.db2.gz DGVNNTFTLIYARG-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CC[C@H]1CCCC[C@H]1N(C)c1nccnc1CN ZINC001639625272 1172124413 /nfs/dbraw/zinc/12/44/13/1172124413.db2.gz AMLKCPBJYHUIDK-WCQYABFASA-N 0 1 248.374 2.340 20 0 BEADMN Cc1nccnc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277223250 180279719 /nfs/dbraw/zinc/27/97/19/180279719.db2.gz XYFNUGSNIAPSKB-MRVPVSSYSA-N 0 1 227.258 2.233 20 0 BEADMN Cc1noc(CN2CCC[C@H](C)CC2)n1 ZINC000068829709 350291839 /nfs/dbraw/zinc/29/18/39/350291839.db2.gz PSPGPVODANDGKV-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN N[C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000019480216 350350918 /nfs/dbraw/zinc/35/09/18/350350918.db2.gz BDMYDRWKTKPPHW-CYBMUJFWSA-N 0 1 244.269 2.464 20 0 BEADMN Cc1ncsc1CN1CCSC[C@@H]1C ZINC000179665513 180315694 /nfs/dbraw/zinc/31/56/94/180315694.db2.gz NKGWUAVGMKFFLI-QMMMGPOBSA-N 0 1 228.386 2.389 20 0 BEADMN Cc1ncoc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000354042332 180301639 /nfs/dbraw/zinc/30/16/39/180301639.db2.gz LNBQWZSHGBXWJQ-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1ncsc1-c1nc([C@@H](N)C(C)C)no1 ZINC000041052654 180301773 /nfs/dbraw/zinc/30/17/73/180301773.db2.gz ODUWBDAGODDXER-ZETCQYMHSA-N 0 1 238.316 2.157 20 0 BEADMN Cc1ncsc1CCN1CCO[C@H](C)[C@@H]1C ZINC000178597867 180308890 /nfs/dbraw/zinc/30/88/90/180308890.db2.gz YKKXAFSFAQUKBP-WDEREUQCSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1nnsc1CN1CC(C)(C)C[C@H]1C ZINC000563960824 323332977 /nfs/dbraw/zinc/33/29/77/323332977.db2.gz UFRJYBGQYMXHIB-MRVPVSSYSA-N 0 1 225.361 2.467 20 0 BEADMN Cc1ncsc1CN1CC[C@@H](n2cccn2)C1 ZINC000291366350 180318204 /nfs/dbraw/zinc/31/82/04/180318204.db2.gz YWSIMAFADAGYOI-LLVKDONJSA-N 0 1 248.355 2.095 20 0 BEADMN Cc1ncsc1CNCc1ccoc1 ZINC000070836933 180322713 /nfs/dbraw/zinc/32/27/13/180322713.db2.gz QLFLPAQVKSASCZ-UHFFFAOYSA-N 0 1 208.286 2.334 20 0 BEADMN CCN(Cc1ncc(C)cn1)CC(C)C ZINC000336649523 350418008 /nfs/dbraw/zinc/41/80/08/350418008.db2.gz RHMCOQJLVFPKBT-UHFFFAOYSA-N 0 1 207.321 2.263 20 0 BEADMN CCCc1nc(C)c(CN2CC[C@@H](OC)C2)o1 ZINC000428219664 191102362 /nfs/dbraw/zinc/10/23/62/191102362.db2.gz FUBJCUWJXLXWIG-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CC[C@@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC000336690476 350447142 /nfs/dbraw/zinc/44/71/42/350447142.db2.gz AZMDLUMTBBVIDC-GFCCVEGCSA-N 0 1 221.348 2.351 20 0 BEADMN CCN(Cc1nccn1C)CC1CCC1 ZINC000336694046 350450090 /nfs/dbraw/zinc/45/00/90/350450090.db2.gz UHXGUEIEDOTJNR-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCOC3)ccn1 ZINC000628307202 350456977 /nfs/dbraw/zinc/45/69/77/350456977.db2.gz URYKJLQUQZUTOW-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1nn(C)cc1CN(C)Cc1ccccc1 ZINC000156373579 180371829 /nfs/dbraw/zinc/37/18/29/180371829.db2.gz MIVJQAJEJWAVJE-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN O[C@@H](CNCc1cc2ccccc2o1)C(F)F ZINC000226576587 350441329 /nfs/dbraw/zinc/44/13/29/350441329.db2.gz PERGNTOZAHUTKD-JTQLQIEISA-N 0 1 241.237 2.148 20 0 BEADMN CCn1cncc1CN(C)CCCSC ZINC000418050495 323347147 /nfs/dbraw/zinc/34/71/47/323347147.db2.gz WBFBOLRHUKVGSE-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CN(Cc1ccc(Cl)cn1)CC(C)(C)CO ZINC000580695786 365962497 /nfs/dbraw/zinc/96/24/97/365962497.db2.gz GXIZWJGJULNPNK-UHFFFAOYSA-N 0 1 242.750 2.185 20 0 BEADMN CC[C@@H](NC(=O)c1coc(CN)c1)C(C)(C)C ZINC000444121152 191111394 /nfs/dbraw/zinc/11/13/94/191111394.db2.gz JTKFILANCHJTAT-LLVKDONJSA-N 0 1 238.331 2.293 20 0 BEADMN CN(C(=O)c1ccn[nH]1)[C@H]1CCc2ccccc21 ZINC000051034393 350560404 /nfs/dbraw/zinc/56/04/04/350560404.db2.gz NSSBDGQFDKWSPT-ZDUSSCGKSA-N 0 1 241.294 2.169 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@@H](C)CC(C)C ZINC000337216262 350563096 /nfs/dbraw/zinc/56/30/96/350563096.db2.gz ZDFRPXOEGUHSHD-LBPRGKRZSA-N 0 1 238.379 2.319 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000337453711 350587091 /nfs/dbraw/zinc/58/70/91/350587091.db2.gz IXTZIUTXGRZCDH-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000014191607 350658486 /nfs/dbraw/zinc/65/84/86/350658486.db2.gz DIHLCAAZKBDCIU-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN CSc1cccnc1NC(=O)c1ocnc1C ZINC001639782190 1172135626 /nfs/dbraw/zinc/13/56/26/1172135626.db2.gz NWOODGLDRINTFL-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000338978515 350724589 /nfs/dbraw/zinc/72/45/89/350724589.db2.gz SUTHJCBLJZPFCN-UHFFFAOYSA-N 0 1 238.306 2.352 20 0 BEADMN CC(C)CN(C)CC(=O)Nc1ccc(F)cc1 ZINC000338978515 350724592 /nfs/dbraw/zinc/72/45/92/350724592.db2.gz SUTHJCBLJZPFCN-UHFFFAOYSA-N 0 1 238.306 2.352 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000339257513 350744360 /nfs/dbraw/zinc/74/43/60/350744360.db2.gz VZRBKMDDKYUVIX-UHFFFAOYSA-N 0 1 249.236 2.157 20 0 BEADMN CC(C)CN(C(=O)CN1C[C@@H](C)[C@@H]1C)C(C)C ZINC000339561217 350765959 /nfs/dbraw/zinc/76/59/59/350765959.db2.gz DVQMRVVXHVPENN-OLZOCXBDSA-N 0 1 240.391 2.220 20 0 BEADMN CCN(Cc1nc2ccccc2o1)[C@@H](C)CO ZINC000339626114 350769408 /nfs/dbraw/zinc/76/94/08/350769408.db2.gz BLHWYDWLYRQWGZ-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN Cc1ncc(CNCC(C)(C)OCC2CC2)o1 ZINC000628310812 350809395 /nfs/dbraw/zinc/80/93/95/350809395.db2.gz GFKSSUKUSDGURW-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1nocc1CNCCOc1ccccc1 ZINC000293970278 180507454 /nfs/dbraw/zinc/50/74/54/180507454.db2.gz DATRNHVSBDGAPP-UHFFFAOYSA-N 0 1 232.283 2.152 20 0 BEADMN Cc1oc(C[N@@H+]2CC=C(C)CC2)cc1C(=O)[O-] ZINC000382526827 350853989 /nfs/dbraw/zinc/85/39/89/350853989.db2.gz BBUHBRLBCZMRQI-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN C[C@H](c1cccnc1)N1CC[C@H](OC(F)F)C1 ZINC000577601218 366013956 /nfs/dbraw/zinc/01/39/56/366013956.db2.gz JSHLMNRWHWFFFR-KOLCDFICSA-N 0 1 242.269 2.456 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)C[C@H]2C)n[nH]1 ZINC000607121393 350923296 /nfs/dbraw/zinc/92/32/96/350923296.db2.gz NLZAUSBQXAOAHT-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212120 350939053 /nfs/dbraw/zinc/93/90/53/350939053.db2.gz ZYAMJLMETFQBCY-CQSZACIVSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC000052211996 350939200 /nfs/dbraw/zinc/93/92/00/350939200.db2.gz RWBRDORNWKFQIO-AWEZNQCLSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1csc(-c2ncc(CN)s2)n1 ZINC000159613676 350952655 /nfs/dbraw/zinc/95/26/55/350952655.db2.gz MXHZMPDKPRLSNE-UHFFFAOYSA-N 0 1 211.315 2.034 20 0 BEADMN CO[C@H](C)c1noc(CN[C@H](C)C(C)(C)C)n1 ZINC000177682076 366018572 /nfs/dbraw/zinc/01/85/72/366018572.db2.gz VHBWDMIVLRTKDK-RKDXNWHRSA-N 0 1 241.335 2.301 20 0 BEADMN CCCN1CCN(Cc2cccs2)CC1 ZINC000052584877 351055308 /nfs/dbraw/zinc/05/53/08/351055308.db2.gz DANBYGKHMOEQLI-UHFFFAOYSA-N 0 1 224.373 2.276 20 0 BEADMN Cc1ccsc1C[N@H+](C)CC1(C(=O)[O-])CC1 ZINC000258950146 351067822 /nfs/dbraw/zinc/06/78/22/351067822.db2.gz QRXHBYFLOUUJLW-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN C[C@H]1C[C@@H]([NH2+]Cc2cnn[n-]2)CC(C)(C)C1 ZINC000398405297 351137834 /nfs/dbraw/zinc/13/78/34/351137834.db2.gz OSTIKRSZPIKDPV-VHSXEESVSA-N 0 1 222.336 2.109 20 0 BEADMN CCN1CCN(c2nc3ccccc3o2)[C@H](C)C1 ZINC000264337116 351233664 /nfs/dbraw/zinc/23/36/64/351233664.db2.gz BUPCBLDIOLYRER-LLVKDONJSA-N 0 1 245.326 2.358 20 0 BEADMN CCc1cnc(CN(C)CCCCCO)s1 ZINC000267082784 351299695 /nfs/dbraw/zinc/29/96/95/351299695.db2.gz YLVHKSQXDRIUQH-UHFFFAOYSA-N 0 1 242.388 2.300 20 0 BEADMN CCc1ncc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000414453472 351312215 /nfs/dbraw/zinc/31/22/15/351312215.db2.gz CXYXNSSTBUKPTL-MNOVXSKESA-N 0 1 223.295 2.019 20 0 BEADMN CCN(Cc1ccncc1)Cc1ccncc1 ZINC000267960246 351324758 /nfs/dbraw/zinc/32/47/58/351324758.db2.gz XWSOEPPIYZREKB-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN CC(C)(C)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000083407162 351266248 /nfs/dbraw/zinc/26/62/48/351266248.db2.gz IKFJBFBGQHFCBK-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CCCC[C@@H](CC)CC(=O)NCc1nnc[nH]1 ZINC000265281548 351267206 /nfs/dbraw/zinc/26/72/06/351267206.db2.gz JVIRFZQDAAVVPY-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN Cn1ccnc1CN[C@@H]1CC12CCCCC2 ZINC000386905113 363060093 /nfs/dbraw/zinc/06/00/93/363060093.db2.gz MMLRCOBAKWDPLX-LLVKDONJSA-N 0 1 219.332 2.233 20 0 BEADMN O=C(NCC1CCC1)c1[nH]nc2c1CCCCC2 ZINC000276544972 351630704 /nfs/dbraw/zinc/63/07/04/351630704.db2.gz DQQDECSBEIAYMS-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN COc1ncc(CN2CCC[C@@H](C)C2)s1 ZINC000637832619 351682048 /nfs/dbraw/zinc/68/20/48/351682048.db2.gz KYNIXVMCNHYZQI-SECBINFHSA-N 0 1 226.345 2.384 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CC[C@@H](C)C1 ZINC000577744110 366050450 /nfs/dbraw/zinc/05/04/50/366050450.db2.gz DRPRIJRSDJOZCV-MDZLAQPJSA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000637837568 351692322 /nfs/dbraw/zinc/69/23/22/351692322.db2.gz HQEVHJPNXIAXBO-LLVKDONJSA-N 0 1 207.321 2.211 20 0 BEADMN C[C@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2C)CCN1 ZINC000577727587 366043489 /nfs/dbraw/zinc/04/34/89/366043489.db2.gz SEMUMFZKWUKFHS-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1scc(CN(CC(N)=O)C(C)C)c1C ZINC000637858678 351720526 /nfs/dbraw/zinc/72/05/26/351720526.db2.gz MPXGGQZXNSMHCK-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN CSc1nc(=O)n(C/C=C\c2ccccc2)[nH]1 ZINC000347630811 366064186 /nfs/dbraw/zinc/06/41/86/366064186.db2.gz PQVHMTMNRZSORB-YVMONPNESA-N 0 1 247.323 2.007 20 0 BEADMN CCN(Cc1snnc1C)C1CCC1 ZINC000577757479 366055142 /nfs/dbraw/zinc/05/51/42/366055142.db2.gz ZGNSAJVQJLZJKW-UHFFFAOYSA-N 0 1 211.334 2.221 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CC)C1CC1 ZINC000618864690 351800197 /nfs/dbraw/zinc/80/01/97/351800197.db2.gz MHAPNZILPJQMNT-QWHCGFSZSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC(C)(C)C(C)C ZINC000637952820 351829040 /nfs/dbraw/zinc/82/90/40/351829040.db2.gz QZSUDGJEBGBOIO-UHFFFAOYSA-N 0 1 238.331 2.211 20 0 BEADMN Cc1cc(CN)oc1C(=O)N(C)CC(C)(C)C ZINC000637941135 351815511 /nfs/dbraw/zinc/81/55/11/351815511.db2.gz KKKOWIXZWAWCAS-UHFFFAOYSA-N 0 1 238.331 2.165 20 0 BEADMN CCOCCN(CC)Cc1cc(C)ns1 ZINC000637975834 351850917 /nfs/dbraw/zinc/85/09/17/351850917.db2.gz BHKNWOLRPSIMER-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN NC1(c2noc(CCC(F)(F)F)n2)CCCC1 ZINC000088834873 351877259 /nfs/dbraw/zinc/87/72/59/351877259.db2.gz GRPAPJYGVKDMNP-UHFFFAOYSA-N 0 1 249.236 2.293 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC[C@@H](C)C(C)C ZINC000638011215 351887600 /nfs/dbraw/zinc/88/76/00/351887600.db2.gz IIFSKRWTHFLBOI-SNVBAGLBSA-N 0 1 238.331 2.069 20 0 BEADMN Cc1cc(CN2CCCOC[C@H]2C)sn1 ZINC000638099727 351979740 /nfs/dbraw/zinc/97/97/40/351979740.db2.gz DOUUQUNMZFWYKV-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN Cn1c(C[N@H+]2CC[C@@](C)(O)C2)cc2ccccc21 ZINC000638155353 352017669 /nfs/dbraw/zinc/01/76/69/352017669.db2.gz XKFKJJPRZAYVMN-OAHLLOKOSA-N 0 1 244.338 2.135 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1ccc2cncn2c1 ZINC000287369670 352123507 /nfs/dbraw/zinc/12/35/07/352123507.db2.gz XEELHCQYIOSYIA-LBPRGKRZSA-N 0 1 243.310 2.253 20 0 BEADMN CCCN(C(=O)c1oc(CN)cc1C)C1CC1 ZINC000638307543 352135438 /nfs/dbraw/zinc/13/54/38/352135438.db2.gz SHQGEFNSCYKQCH-UHFFFAOYSA-N 0 1 236.315 2.061 20 0 BEADMN CC[C@@H](NCc1c(C)cnn1C)c1ccncc1 ZINC000286757333 352104224 /nfs/dbraw/zinc/10/42/24/352104224.db2.gz ZCKKXLUENQUIJF-CYBMUJFWSA-N 0 1 244.342 2.364 20 0 BEADMN CCc1cc(CN[C@@H]2CS[C@H](C)C2)on1 ZINC000638276044 352113325 /nfs/dbraw/zinc/11/33/25/352113325.db2.gz WKKIDYOKVBKBEK-SCZZXKLOSA-N 0 1 226.345 2.221 20 0 BEADMN CCN1CCN(C(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000288624778 352159415 /nfs/dbraw/zinc/15/94/15/352159415.db2.gz YALPKRYNHKFSBZ-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccccn2)[C@H]1[C@H]1CCCO1 ZINC000289811312 352198969 /nfs/dbraw/zinc/19/89/69/352198969.db2.gz OHQMPEICLWIDJH-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN CC1(C)CN(Cc2ccccn2)[C@H]1[C@H]1CCCO1 ZINC000289811312 352198974 /nfs/dbraw/zinc/19/89/74/352198974.db2.gz OHQMPEICLWIDJH-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN CCCC[C@H](C)N(C)Cc1ccn(C)n1 ZINC000289853632 352200547 /nfs/dbraw/zinc/20/05/47/352200547.db2.gz KVUBINHHKYMUMA-NSHDSACASA-N 0 1 209.337 2.431 20 0 BEADMN CC1(C)CN(Cc2cccnc2)[C@@H]1[C@H]1CCCO1 ZINC000289993032 352205780 /nfs/dbraw/zinc/20/57/80/352205780.db2.gz YNOOEKIFSSKAEC-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@H](C)CCNC(=O)c1oc(CN)cc1C ZINC000638406601 352214748 /nfs/dbraw/zinc/21/47/48/352214748.db2.gz MZLWPOJVKPDGNX-VIFPVBQESA-N 0 1 238.331 2.213 20 0 BEADMN Cc1cc(CNCc2ccccc2CO)sn1 ZINC000638415764 352223862 /nfs/dbraw/zinc/22/38/62/352223862.db2.gz LHAPESNNSFGWDP-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN CCN(Cc1nccn1C)CC(C)(C)C ZINC000291153181 352263458 /nfs/dbraw/zinc/26/34/58/352263458.db2.gz ZVNJWTCQFWAMNQ-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN CCCN(CCC)[C@H](C)c1nnc(C)[nH]1 ZINC000411161412 191165219 /nfs/dbraw/zinc/16/52/19/191165219.db2.gz BUAMRBYVSLOYHG-SECBINFHSA-N 0 1 210.325 2.296 20 0 BEADMN CC1(C)CN(Cc2cncnc2)[C@@H]1C1CC1 ZINC000291682671 352285786 /nfs/dbraw/zinc/28/57/86/352285786.db2.gz XJXSIHPDPOLJPE-GFCCVEGCSA-N 0 1 217.316 2.097 20 0 BEADMN CCN(Cc1cc(F)ccc1F)[C@H](C)CO ZINC000292318849 352314286 /nfs/dbraw/zinc/31/42/86/352314286.db2.gz VTFOGIMMRLIRLP-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CC[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C)CO ZINC000293464282 352351863 /nfs/dbraw/zinc/35/18/63/352351863.db2.gz QLZVXXBIKXTHHD-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN CCN(Cc1ccc(F)cc1F)[C@@H](C)CO ZINC000293532129 352354567 /nfs/dbraw/zinc/35/45/67/352354567.db2.gz XBZCIQVHXIBVSC-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@H](C)C2)[nH]1 ZINC000411425926 191185849 /nfs/dbraw/zinc/18/58/49/191185849.db2.gz NBDQLWSIASLVLJ-AEJSXWLSSA-N 0 1 222.336 2.152 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)NCc1cn[nH]c1C ZINC000294205028 352371830 /nfs/dbraw/zinc/37/18/30/352371830.db2.gz CBAFULACINIJGU-ZYHUDNBSSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cnc(CN[C@@H](C)Cc2cccc(O)c2)o1 ZINC000638559994 352385708 /nfs/dbraw/zinc/38/57/08/352385708.db2.gz IEDWACVWZMGGCT-JTQLQIEISA-N 0 1 246.310 2.409 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(NC)cc1)N(C)C ZINC000638560907 352386257 /nfs/dbraw/zinc/38/62/57/352386257.db2.gz PDKZUBIWYDWLFF-GFCCVEGCSA-N 0 1 235.331 2.007 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccnc2OC)CC1 ZINC000295017510 352393859 /nfs/dbraw/zinc/39/38/59/352393859.db2.gz ZTUJQBHYUITHNV-GFCCVEGCSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@@H](NCc1ccc(C)o1)[C@H](O)C(F)F ZINC000295075916 352396248 /nfs/dbraw/zinc/39/62/48/352396248.db2.gz PSCSMHRZESYROU-ZJUUUORDSA-N 0 1 233.258 2.082 20 0 BEADMN CCCC[C@@H](CC)N[C@@H](C(N)=O)c1ccccn1 ZINC000295122786 352398204 /nfs/dbraw/zinc/39/82/04/352398204.db2.gz NMODJSTVXLBGOW-DGCLKSJQSA-N 0 1 249.358 2.166 20 0 BEADMN C[C@H]1COC[C@H](c2ccccc2)N1CCCCO ZINC000411429566 191184944 /nfs/dbraw/zinc/18/49/44/191184944.db2.gz RDOOQGIXRODWGO-DZGCQCFKSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@]1(C)COCCN1CCc1ccccn1 ZINC000411428141 191184974 /nfs/dbraw/zinc/18/49/74/191184974.db2.gz OPEPWVHTOCKYGD-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CO[C@H](CNCc1cc(C(C)C)no1)C1CC1 ZINC000638597545 352429327 /nfs/dbraw/zinc/42/93/27/352429327.db2.gz ZLDNQRFLYFWZIX-CYBMUJFWSA-N 0 1 238.331 2.313 20 0 BEADMN COC(=O)[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000411724118 191205718 /nfs/dbraw/zinc/20/57/18/191205718.db2.gz TZVFFSAHBIKDAC-YGNMPJRFSA-N 0 1 239.359 2.352 20 0 BEADMN CC[C@H](COC)NCc1cc(C2CC2)no1 ZINC000638669622 352511942 /nfs/dbraw/zinc/51/19/42/352511942.db2.gz FGWWIVNYAPUYLK-SNVBAGLBSA-N 0 1 224.304 2.067 20 0 BEADMN CC[C@H](NC[C@H]1CCCO1)c1nccs1 ZINC000045206169 352588102 /nfs/dbraw/zinc/58/81/02/352588102.db2.gz ZFHYGFPIOJLJTR-ZJUUUORDSA-N 0 1 226.345 2.363 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000042307650 352617781 /nfs/dbraw/zinc/61/77/81/352617781.db2.gz AXQNJPJVRZXPNB-VIFPVBQESA-N 0 1 241.718 2.493 20 0 BEADMN Cc1ccoc1CN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000608056574 352651718 /nfs/dbraw/zinc/65/17/18/352651718.db2.gz HBVMONZZKCIZAW-CYBMUJFWSA-N 0 1 234.343 2.162 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000229212968 352652759 /nfs/dbraw/zinc/65/27/59/352652759.db2.gz BTHUPHPPFSIVBM-RDBSUJKOSA-N 0 1 245.322 2.372 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@H](N)c1ccccc1 ZINC000045087917 352664123 /nfs/dbraw/zinc/66/41/23/352664123.db2.gz LZNVQMYWGICRES-LBPRGKRZSA-N 0 1 234.343 2.191 20 0 BEADMN CC(C)COCCN1CCO[C@@H](C2CCC2)C1 ZINC000411855156 191220404 /nfs/dbraw/zinc/22/04/04/191220404.db2.gz UMRRBCVPATYONA-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1C ZINC000042707317 352624375 /nfs/dbraw/zinc/62/43/75/352624375.db2.gz JVWIBDLTMMCTGI-GFCCVEGCSA-N 0 1 235.327 2.456 20 0 BEADMN C[C@@H](C[N@H+]1CCO[C@@H](CF)C1)c1ccccc1 ZINC000411860037 191223006 /nfs/dbraw/zinc/22/30/06/191223006.db2.gz PLZDYZFOKKBHFC-JSGCOSHPSA-N 0 1 237.318 2.460 20 0 BEADMN C[C@@H](CN1CCO[C@@H](CF)C1)c1ccccc1 ZINC000411860037 191223009 /nfs/dbraw/zinc/22/30/09/191223009.db2.gz PLZDYZFOKKBHFC-JSGCOSHPSA-N 0 1 237.318 2.460 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1ncc(C)o1)C1CC1 ZINC000411948057 191232101 /nfs/dbraw/zinc/23/21/01/191232101.db2.gz MVCVVZXFNWCEMN-MFKMUULPSA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1nccc(C)n1)C1CC1 ZINC000411974138 191233533 /nfs/dbraw/zinc/23/35/33/191233533.db2.gz SVQVSLDGFSOFOY-BXUZGUMPSA-N 0 1 249.358 2.078 20 0 BEADMN COC1([C@H](C)NCc2cscn2)CCC1 ZINC000412021978 191237901 /nfs/dbraw/zinc/23/79/01/191237901.db2.gz PSYZSUZTJUTAMC-VIFPVBQESA-N 0 1 226.345 2.190 20 0 BEADMN CC[C@@H](N[C@@H]1CSC1(C)C)c1ccn(C)n1 ZINC000336744165 352681322 /nfs/dbraw/zinc/68/13/22/352681322.db2.gz UQHFHIYGHNNSSK-MWLCHTKSSA-N 0 1 239.388 2.355 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC(C)(C)C[C@H]2C)n1 ZINC000412047193 191243662 /nfs/dbraw/zinc/24/36/62/191243662.db2.gz SGWBDZVNEXNYJM-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC(C)(C)C[C@H]2C)n1 ZINC000412047193 191243665 /nfs/dbraw/zinc/24/36/65/191243665.db2.gz SGWBDZVNEXNYJM-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC(C)(C)C[C@H]2C)n1 ZINC000412047193 191243668 /nfs/dbraw/zinc/24/36/68/191243668.db2.gz SGWBDZVNEXNYJM-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN NCc1cc(C(=O)N2CCCC3(CC3)CC2)co1 ZINC000638756378 352686475 /nfs/dbraw/zinc/68/64/75/352686475.db2.gz LTRVPCOIENHAFP-UHFFFAOYSA-N 0 1 248.326 2.145 20 0 BEADMN CC[C@H](C)[C@H](CNCc1ncccc1F)OC ZINC000638777033 352724115 /nfs/dbraw/zinc/72/41/15/352724115.db2.gz BHCGUUXKRQJKAV-GWCFXTLKSA-N 0 1 240.322 2.371 20 0 BEADMN C[C@H]1C[C@@H](NCc2ncccc2F)CS1 ZINC000638776986 352724146 /nfs/dbraw/zinc/72/41/46/352724146.db2.gz APCCCTVRQPGYBZ-DTWKUNHWSA-N 0 1 226.320 2.204 20 0 BEADMN CC[N@H+]1CCN(C(=O)C2=CCCCC2)[C@@H](C)C1 ZINC000341798629 352725860 /nfs/dbraw/zinc/72/58/60/352725860.db2.gz NLTNODNTZMZKJB-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)C2=CCCCC2)[C@@H](C)C1 ZINC000341798629 352725861 /nfs/dbraw/zinc/72/58/61/352725861.db2.gz NLTNODNTZMZKJB-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)c2ncnc3[nH]cnc32)C1 ZINC000073772060 352728420 /nfs/dbraw/zinc/72/84/20/352728420.db2.gz FBXJJBYWIFYEPI-VHSXEESVSA-N 0 1 245.330 2.368 20 0 BEADMN CCc1ccc(CN2CCOCC3(CC3)C2)o1 ZINC000334186024 352774893 /nfs/dbraw/zinc/77/48/93/352774893.db2.gz GKBWUASZWOZYRG-UHFFFAOYSA-N 0 1 235.327 2.454 20 0 BEADMN CCC[C@H](CNCc1ncccc1F)OC ZINC000638780459 352731146 /nfs/dbraw/zinc/73/11/46/352731146.db2.gz QNQWRRDIPWJFIJ-SNVBAGLBSA-N 0 1 226.295 2.125 20 0 BEADMN CCc1cnc(CNC[C@@H](CC)OC)s1 ZINC000336747069 352745091 /nfs/dbraw/zinc/74/50/91/352745091.db2.gz BQBFEDUMKYTSCM-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN C[C@H]1CN(CC2CCSCC2)CCC1=O ZINC000229282331 352750122 /nfs/dbraw/zinc/75/01/22/352750122.db2.gz ZHUDULWAVJNWBK-JTQLQIEISA-N 0 1 227.373 2.041 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353689092 352757177 /nfs/dbraw/zinc/75/71/77/352757177.db2.gz PUAGKVUNWUSYKT-BQBZGAKWSA-N 0 1 249.236 2.174 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(=O)[nH]n1 ZINC000353689113 352757241 /nfs/dbraw/zinc/75/72/41/352757241.db2.gz PUAGKVUNWUSYKT-RNFRBKRXSA-N 0 1 249.236 2.174 20 0 BEADMN COc1cc(C[N@H+]2CCCSCC2)ccn1 ZINC000334187185 352776753 /nfs/dbraw/zinc/77/67/53/352776753.db2.gz GWVBVVGALYZFGE-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN COc1cc(CN2CCCSCC2)ccn1 ZINC000334187185 352776756 /nfs/dbraw/zinc/77/67/56/352776756.db2.gz GWVBVVGALYZFGE-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN Cc1ncsc1CCN1CC[C@](C)(F)C1 ZINC000334215137 352814164 /nfs/dbraw/zinc/81/41/64/352814164.db2.gz FOSXJQYILBFYHQ-NSHDSACASA-N 0 1 228.336 2.428 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)c2ccccc21 ZINC000334216922 352816951 /nfs/dbraw/zinc/81/69/51/352816951.db2.gz RVLNQWHTPHGZPW-RISCZKNCSA-N 0 1 244.338 2.231 20 0 BEADMN C[C@H]1CN(C(=O)[C@H]2CCCN2C)c2ccccc21 ZINC000334216924 352817023 /nfs/dbraw/zinc/81/70/23/352817023.db2.gz RVLNQWHTPHGZPW-SMDDNHRTSA-N 0 1 244.338 2.231 20 0 BEADMN C[C@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000334242029 352830299 /nfs/dbraw/zinc/83/02/99/352830299.db2.gz QCGAHXDSWPGLAE-LBPRGKRZSA-N 0 1 242.326 2.109 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)N1Cc2ccccc2[C@@H]1C ZINC000334191383 352782098 /nfs/dbraw/zinc/78/20/98/352782098.db2.gz IJJLVPKYJLBRJF-LBPRGKRZSA-N 0 1 246.354 2.430 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000334192753 352784675 /nfs/dbraw/zinc/78/46/75/352784675.db2.gz KJTZVWDBGLEQGI-LBPRGKRZSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1nn(-c2cc[nH+]cc2)cc1CN1CC(C)C1 ZINC000334197641 352788998 /nfs/dbraw/zinc/78/89/98/352788998.db2.gz NUJQXIPPRLLIMD-UHFFFAOYSA-N 0 1 242.326 2.027 20 0 BEADMN C[C@@H](O)[C@H]1CN(CCC2CCCCC2)CCO1 ZINC000412074865 191252127 /nfs/dbraw/zinc/25/21/27/191252127.db2.gz IFMBCRJXZUXDAB-TZMCWYRMSA-N 0 1 241.375 2.038 20 0 BEADMN CC(C)N1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000335199318 535189605 /nfs/dbraw/zinc/18/96/05/535189605.db2.gz GCYNUBHZWSMTGW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2(CC)CC2)C[C@@H]1C ZINC000334238804 352857764 /nfs/dbraw/zinc/85/77/64/352857764.db2.gz TVYFTZGBJYWFED-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2(CC)CC2)C[C@@H]1C ZINC000334238803 352857943 /nfs/dbraw/zinc/85/79/43/352857943.db2.gz TVYFTZGBJYWFED-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2(CC)CC2)C[C@H]1C ZINC000334238799 352858014 /nfs/dbraw/zinc/85/80/14/352858014.db2.gz TVYFTZGBJYWFED-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@H]([C@H](C)O)C1 ZINC000412085407 191255390 /nfs/dbraw/zinc/25/53/90/191255390.db2.gz NAGSJDDPJBAFCC-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CSC[C@@H]1CCCN1Cc1ncc(C)n1C ZINC000342809827 352861323 /nfs/dbraw/zinc/86/13/23/352861323.db2.gz USIDDQGMXGNRJX-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nnc(C)o1 ZINC000334249531 352842760 /nfs/dbraw/zinc/84/27/60/352842760.db2.gz ZFQFRDZLBIKIPN-WCBMZHEXSA-N 0 1 209.293 2.141 20 0 BEADMN O=C(N[C@@H]1CC[C@@H](F)C1)c1cccc2nc[nH]c21 ZINC000334228269 352845322 /nfs/dbraw/zinc/84/53/22/352845322.db2.gz ODUQLRXNVFSGJR-RKDXNWHRSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1cc(CN2C[C@@H](F)C[C@H]2CO)c(C)s1 ZINC000334279871 352915185 /nfs/dbraw/zinc/91/51/85/352915185.db2.gz QWDLBADZKSQRMF-RYUDHWBXSA-N 0 1 243.347 2.270 20 0 BEADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccn(C)n1 ZINC000334282954 352923824 /nfs/dbraw/zinc/92/38/24/352923824.db2.gz YSYHLLNNQSNLPV-NWDGAFQWSA-N 0 1 221.348 2.431 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]2C(C)C)o1 ZINC000342862966 352880765 /nfs/dbraw/zinc/88/07/65/352880765.db2.gz UWQMMBIEVDTLOX-LLVKDONJSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CC[C@@H](C)C2)n1C ZINC000342866116 352882870 /nfs/dbraw/zinc/88/28/70/352882870.db2.gz ZAXLELNMSHSSDM-ZYHUDNBSSA-N 0 1 221.348 2.349 20 0 BEADMN CCc1nnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1 ZINC000334253421 352889973 /nfs/dbraw/zinc/88/99/73/352889973.db2.gz XCGOSYAESQNNTI-WDEREUQCSA-N 0 1 248.374 2.378 20 0 BEADMN C[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000154266063 538105779 /nfs/dbraw/zinc/10/57/79/538105779.db2.gz IOFYIGBQVPOLBQ-SNVBAGLBSA-N 0 1 245.278 2.196 20 0 BEADMN Cc1nccc(N(C)Cc2cc[nH]n2)c1Cl ZINC000334338871 352973392 /nfs/dbraw/zinc/97/33/92/352973392.db2.gz ZOQRXTREBWTBOB-UHFFFAOYSA-N 0 1 236.706 2.403 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000334352576 352989404 /nfs/dbraw/zinc/98/94/04/352989404.db2.gz HRNKZVYDOGCADC-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)C1=CCC1 ZINC000334300037 352937009 /nfs/dbraw/zinc/93/70/09/352937009.db2.gz SLHVMIUWRRGHRC-UHFFFAOYSA-N 0 1 240.266 2.130 20 0 BEADMN C[C@H]1COCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000334365342 353018980 /nfs/dbraw/zinc/01/89/80/353018980.db2.gz HSKBGXSPXFRIDL-GWCFXTLKSA-N 0 1 232.327 2.407 20 0 BEADMN CC1=C(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCC1 ZINC000334375727 353032327 /nfs/dbraw/zinc/03/23/27/353032327.db2.gz DLSXDKHDJPVNTL-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H](O)C(C)(C)NCc1nc2ccccc2o1 ZINC000638818330 352998591 /nfs/dbraw/zinc/99/85/91/352998591.db2.gz NXWXJYVHHPKUAH-SECBINFHSA-N 0 1 234.299 2.077 20 0 BEADMN CCc1nnc([C@H](C)N[C@H](C)[C@@H]2CC2(F)F)[nH]1 ZINC000638821925 353002415 /nfs/dbraw/zinc/00/24/15/353002415.db2.gz DIBYJFPOYJFBCD-CSMHCCOUSA-N 0 1 244.289 2.061 20 0 BEADMN CCN1C[C@H](C)N(Cc2cncs2)C[C@@H]1C ZINC000334396493 353069573 /nfs/dbraw/zinc/06/95/73/353069573.db2.gz CBLAJBNWFFOMPW-QWRGUYRKSA-N 0 1 239.388 2.058 20 0 BEADMN CCC(C)(C)CCNC(=O)c1coc(CN)c1 ZINC000638866210 353040422 /nfs/dbraw/zinc/04/04/22/353040422.db2.gz PNRZFFPFFFKWPT-UHFFFAOYSA-N 0 1 238.331 2.294 20 0 BEADMN Cc1cnc(CNC[C@@H]2CC=CCC2)o1 ZINC000231787843 538107350 /nfs/dbraw/zinc/10/73/50/538107350.db2.gz PYZOWYUPZURFQE-LLVKDONJSA-N 0 1 206.289 2.429 20 0 BEADMN Cn1ccnc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000334429445 353103953 /nfs/dbraw/zinc/10/39/53/353103953.db2.gz UFPIYQPIBLAVMI-LBPRGKRZSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CCC[C@H](C2CC2)C1 ZINC000334429445 353103955 /nfs/dbraw/zinc/10/39/55/353103955.db2.gz UFPIYQPIBLAVMI-LBPRGKRZSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1nccc1CNCc1ccc(Cl)cc1 ZINC000035255538 180844332 /nfs/dbraw/zinc/84/43/32/180844332.db2.gz MFPNOACEFLJFHG-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN COc1ccc(CN2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000338287047 188017193 /nfs/dbraw/zinc/01/71/93/188017193.db2.gz DNDVXJWMTBFDBA-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN Cc1ncc(C(=O)N(C)CCc2ccccc2)[nH]1 ZINC000264825577 188021473 /nfs/dbraw/zinc/02/14/73/188021473.db2.gz IACXRMCCADZDPQ-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN CC(C)[C@@H]1CN(Cc2ccno2)CCS1 ZINC000266594972 188022140 /nfs/dbraw/zinc/02/21/40/188022140.db2.gz AZFWGAJZBIUZAM-NSHDSACASA-N 0 1 226.345 2.248 20 0 BEADMN Cc1c(CN2CCc3ccccc3C2)cnn1C ZINC000268903674 188024522 /nfs/dbraw/zinc/02/45/22/188024522.db2.gz QWZGRGDQJCZGPU-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1O ZINC000273219935 188027255 /nfs/dbraw/zinc/02/72/55/188027255.db2.gz BURSCPMCVSIWFN-UONOGXRCSA-N 0 1 248.370 2.311 20 0 BEADMN CC/C=C/CC[N@@H+](C)CCc1cnccn1 ZINC000274365097 188028272 /nfs/dbraw/zinc/02/82/72/188028272.db2.gz XYDXJTKIVBWQKX-SNAWJCMRSA-N 0 1 219.332 2.307 20 0 BEADMN COc1ccc(C[N@H+](C)CCN(C)C2CC2)cc1 ZINC000278897939 188030802 /nfs/dbraw/zinc/03/08/02/188030802.db2.gz UZLZZUSIQOCWRZ-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN CC1(C)Cc2cc(CNCCF)ccc2O1 ZINC000280651286 188031553 /nfs/dbraw/zinc/03/15/53/188031553.db2.gz JZAIKWOLAWQQLW-UHFFFAOYSA-N 0 1 223.291 2.459 20 0 BEADMN CC(C)(O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291944159 188036764 /nfs/dbraw/zinc/03/67/64/188036764.db2.gz PWHXQIKGTHLVCT-LBPRGKRZSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)(O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291944159 188036766 /nfs/dbraw/zinc/03/67/66/188036766.db2.gz PWHXQIKGTHLVCT-LBPRGKRZSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)=CCNC(=O)c1ccc(F)cc1O ZINC000191843982 188004711 /nfs/dbraw/zinc/00/47/11/188004711.db2.gz UBSFRDBRTBSZBC-UHFFFAOYSA-N 0 1 223.247 2.227 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC000335156458 188051276 /nfs/dbraw/zinc/05/12/76/188051276.db2.gz QNBHUYTVQBZVGN-CMPLNLGQSA-N 0 1 233.246 2.250 20 0 BEADMN CC(C)(C)[C@H]1C[N@@H+](CCCCF)CCO1 ZINC000352413065 188055157 /nfs/dbraw/zinc/05/51/57/188055157.db2.gz LKJHDZXCIXSJLG-LLVKDONJSA-N 0 1 217.328 2.483 20 0 BEADMN CC(C)[C@H](O)C(=O)Nc1cccc(Cl)c1O ZINC000336621717 188058574 /nfs/dbraw/zinc/05/85/74/188058574.db2.gz IOJTYYZKYCKTDS-VIFPVBQESA-N 0 1 243.690 2.001 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1ncc[nH]1 ZINC000286212293 538110470 /nfs/dbraw/zinc/11/04/70/538110470.db2.gz SAIWJPHPHYWGTI-NSHDSACASA-N 0 1 225.336 2.123 20 0 BEADMN CCOc1cccc(CNCc2ccnn2C)c1 ZINC000037679538 358476363 /nfs/dbraw/zinc/47/63/63/358476363.db2.gz LSTOBXUFUCCQQY-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CCc1nc(S[C@@H](C)C(F)(F)F)n[nH]1 ZINC000134588546 538113572 /nfs/dbraw/zinc/11/35/72/538113572.db2.gz TVNJNRDQTJVYJI-BYPYZUCNSA-N 0 1 225.239 2.410 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)C(F)(F)F)n1 ZINC000134588546 538113573 /nfs/dbraw/zinc/11/35/73/538113573.db2.gz TVNJNRDQTJVYJI-BYPYZUCNSA-N 0 1 225.239 2.410 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1c(F)cccc1F ZINC000193097221 188254253 /nfs/dbraw/zinc/25/42/53/188254253.db2.gz QIKVBBSOXCVVIW-GFCCVEGCSA-N 0 1 243.297 2.461 20 0 BEADMN c1cc(NCC2=CCCOC2)nc2c1CCC2 ZINC000294764124 188268788 /nfs/dbraw/zinc/26/87/88/188268788.db2.gz FGSUEUAACCSKOQ-UHFFFAOYSA-N 0 1 230.311 2.329 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000398300999 363214272 /nfs/dbraw/zinc/21/42/72/363214272.db2.gz RDHMEEHJVYGXMT-GFCCVEGCSA-N 0 1 234.347 2.397 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000081059525 188270165 /nfs/dbraw/zinc/27/01/65/188270165.db2.gz KSTRAOJLNORMMW-IUODEOHRSA-N 0 1 248.370 2.269 20 0 BEADMN Cc1cnc(CNCC[C@H]2CCO[C@H](C)C2)o1 ZINC000639038021 353310399 /nfs/dbraw/zinc/31/03/99/353310399.db2.gz JTZJCAIMLUFIKJ-PWSUYJOCSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000020433400 188282422 /nfs/dbraw/zinc/28/24/22/188282422.db2.gz GSQRPYVONYWVQQ-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cccc(O)c1 ZINC000037151681 188287362 /nfs/dbraw/zinc/28/73/62/188287362.db2.gz JGBXCWVHYNZBGB-VIFPVBQESA-N 0 1 231.299 2.275 20 0 BEADMN CC(C)COCCCNCc1cscn1 ZINC000040421210 188304127 /nfs/dbraw/zinc/30/41/27/188304127.db2.gz FGFCVOGOLMZRTH-UHFFFAOYSA-N 0 1 228.361 2.295 20 0 BEADMN CN(CCc1ccccn1)Cc1ccns1 ZINC000639040589 353316785 /nfs/dbraw/zinc/31/67/85/353316785.db2.gz KPLBCYFVCNCLKW-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN C[C@H](CO)N(C)Cc1cc(Cl)ccc1F ZINC000189751022 353322143 /nfs/dbraw/zinc/32/21/43/353322143.db2.gz JBVWIJNGDTWEMO-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN CC[N@H+]1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000163592850 353355671 /nfs/dbraw/zinc/35/56/71/353355671.db2.gz RQSPRQGUOZFJAP-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN CCN1CCC[C@H](Nc2ncncc2Cl)C1 ZINC000163592850 353355673 /nfs/dbraw/zinc/35/56/73/353355673.db2.gz RQSPRQGUOZFJAP-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN FCCCSc1nc(-c2cccnc2)n[nH]1 ZINC000154636805 188333065 /nfs/dbraw/zinc/33/30/65/188333065.db2.gz JBNAPASDUFBWSM-UHFFFAOYSA-N 0 1 238.291 2.318 20 0 BEADMN c1cc(CNCCOCC2CCC2)sn1 ZINC000639050400 353345561 /nfs/dbraw/zinc/34/55/61/353345561.db2.gz IWJQBJWFHRRSTM-UHFFFAOYSA-N 0 1 226.345 2.049 20 0 BEADMN CC1=C(C(=O)Nc2ccc3[nH]nnc3c2)CCC1 ZINC000334980599 188335698 /nfs/dbraw/zinc/33/56/98/188335698.db2.gz AVEZULQCHLSXKZ-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN CC(C)=CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000365560839 188357127 /nfs/dbraw/zinc/35/71/27/188357127.db2.gz WPVOSFADIHFTIU-WCQYABFASA-N 0 1 209.333 2.452 20 0 BEADMN CC(C)=CCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000365560839 188357128 /nfs/dbraw/zinc/35/71/28/188357128.db2.gz WPVOSFADIHFTIU-WCQYABFASA-N 0 1 209.333 2.452 20 0 BEADMN CC(C)COCC[N@H+]1CCS[C@H](C)C1 ZINC000336677900 188357679 /nfs/dbraw/zinc/35/76/79/188357679.db2.gz DLNRIJYTUIHICA-LLVKDONJSA-N 0 1 217.378 2.096 20 0 BEADMN CC(C)N(CC(N)=O)Cc1cc2ccccc2o1 ZINC000178510743 188342673 /nfs/dbraw/zinc/34/26/73/188342673.db2.gz ZLMUQOQVJZYSEL-UHFFFAOYSA-N 0 1 246.310 2.129 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccc(F)cc1F ZINC000336698318 188342736 /nfs/dbraw/zinc/34/27/36/188342736.db2.gz JTMPSUXZIQFNLE-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)CN(CC)C1CC1 ZINC000343292637 353368940 /nfs/dbraw/zinc/36/89/40/353368940.db2.gz FSSSJCDCAGJERH-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)CN(CC)C1CC1 ZINC000343292632 353369122 /nfs/dbraw/zinc/36/91/22/353369122.db2.gz FSSSJCDCAGJERH-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1nccc(N(CCO)C2CCC2)c1Cl ZINC000309437099 188344626 /nfs/dbraw/zinc/34/46/26/188344626.db2.gz YPVDDGHJRGHEEJ-UHFFFAOYSA-N 0 1 240.734 2.395 20 0 BEADMN CC(=CC(=O)Nc1nc(C2CCC2)n[nH]1)C1CC1 ZINC000184542412 188346725 /nfs/dbraw/zinc/34/67/25/188346725.db2.gz ROJUVGZNDNLCAD-BQYQJAHWSA-N 0 1 246.314 2.367 20 0 BEADMN C/C(=C\C(=O)Nc1n[nH]c(C2CCC2)n1)C1CC1 ZINC000184542412 188346726 /nfs/dbraw/zinc/34/67/26/188346726.db2.gz ROJUVGZNDNLCAD-BQYQJAHWSA-N 0 1 246.314 2.367 20 0 BEADMN O[C@@H]1CCCC[C@H]1NCc1nc2ccccc2o1 ZINC000639066552 353380323 /nfs/dbraw/zinc/38/03/23/353380323.db2.gz PHKCPSBDHJKBLY-ZYHUDNBSSA-N 0 1 246.310 2.221 20 0 BEADMN C/C(=C\C(=O)N[C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000268965338 188373851 /nfs/dbraw/zinc/37/38/51/188373851.db2.gz KODOEQFDLQNBCU-CRALRDPISA-N 0 1 245.326 2.260 20 0 BEADMN Cc1csc(CN[C@@H]2CCCc3cn[nH]c32)n1 ZINC000268883763 188374043 /nfs/dbraw/zinc/37/40/43/188374043.db2.gz YJWDXIFFCVWDDO-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN CC(C)(C)[C@H]1CCCN1Cc1nccc(N)n1 ZINC000269730089 188375356 /nfs/dbraw/zinc/37/53/56/188375356.db2.gz XQKVSKDSFQIBFQ-SNVBAGLBSA-N 0 1 234.347 2.069 20 0 BEADMN CC(C)COCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000336669763 188358221 /nfs/dbraw/zinc/35/82/21/188358221.db2.gz VLJPLJSEWLLZRO-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H](O)C2)o1 ZINC000271006413 188376334 /nfs/dbraw/zinc/37/63/34/188376334.db2.gz NKUIVHGSZFXYFH-NTZNESFSSA-N 0 1 235.327 2.360 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(F)c1 ZINC000639089240 353447653 /nfs/dbraw/zinc/44/76/53/353447653.db2.gz DTCIEGCOJVIHPV-FZMZJTMJSA-N 0 1 237.318 2.337 20 0 BEADMN CO[C@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000279407490 188382287 /nfs/dbraw/zinc/38/22/87/188382287.db2.gz VOVPIIFAFINNFX-WCQYABFASA-N 0 1 235.331 2.039 20 0 BEADMN OCCCCSc1nc(-c2ccccc2)n[nH]1 ZINC000340647155 188397289 /nfs/dbraw/zinc/39/72/89/188397289.db2.gz FLCUWICBRPVUCW-UHFFFAOYSA-N 0 1 249.339 2.336 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1cn(C)nn1 ZINC000341692854 188398891 /nfs/dbraw/zinc/39/88/91/188398891.db2.gz ZSIINAIHNCVOEH-ZDUSSCGKSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334512444 353539868 /nfs/dbraw/zinc/53/98/68/353539868.db2.gz URLPNFDWZXXGIN-JQWIXIFHSA-N 0 1 221.300 2.187 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000577862734 366089315 /nfs/dbraw/zinc/08/93/15/366089315.db2.gz HKLVEXZLXWLDAX-GHMZBOCLSA-N 0 1 237.347 2.283 20 0 BEADMN Cn1cc(CN2CC(C3CCCC3)C2)cn1 ZINC000334516218 353621124 /nfs/dbraw/zinc/62/11/24/353621124.db2.gz CVHZKJXXSFCGKJ-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000577874707 366092259 /nfs/dbraw/zinc/09/22/59/366092259.db2.gz UEKVKSVPPXLKLB-QWRGUYRKSA-N 0 1 233.315 2.020 20 0 BEADMN C[C@H](NCCOCC(F)F)c1ccc(F)cn1 ZINC000231688799 353644633 /nfs/dbraw/zinc/64/46/33/353644633.db2.gz DRCGHSWPORBPID-QMMMGPOBSA-N 0 1 248.248 2.153 20 0 BEADMN C[C@@H]1C[C@@H](NC2CC(C)(F)C2)c2nccn21 ZINC000334519458 353671628 /nfs/dbraw/zinc/67/16/28/353671628.db2.gz IXTZMPFAYABNRL-DKZWSVDFSA-N 0 1 223.295 2.369 20 0 BEADMN Fc1cccc(CCNCc2ncc[nH]2)c1F ZINC000264863095 180995063 /nfs/dbraw/zinc/99/50/63/180995063.db2.gz PGLLDQSDWGGYKQ-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN Fc1cccc2c1CCN(CCn1ccnc1)C2 ZINC000163434797 181005903 /nfs/dbraw/zinc/00/59/03/181005903.db2.gz WSRAMDXXIWLNQH-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Fc1cccc(F)c1CNCC1=CCCOC1 ZINC000269291734 181000468 /nfs/dbraw/zinc/00/04/68/181000468.db2.gz OIUQZWFFDNZYCR-UHFFFAOYSA-N 0 1 239.265 2.401 20 0 BEADMN CCOCCN(CC)Cc1ccc2c(n1)CCC2 ZINC000577938470 366113035 /nfs/dbraw/zinc/11/30/35/366113035.db2.gz IGLMUCWFHBVDBQ-UHFFFAOYSA-N 0 1 248.370 2.429 20 0 BEADMN Cc1ccncc1CN(C)Cc1ccc(=O)[nH]c1 ZINC000639124857 353809955 /nfs/dbraw/zinc/80/99/55/353809955.db2.gz NEPYXINPACWSEQ-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN Cc1ncc([C@H](C)N2CC(C)C2)c(C)n1 ZINC000639124739 353811199 /nfs/dbraw/zinc/81/11/99/353811199.db2.gz VCFSNEWVAHPTPS-JTQLQIEISA-N 0 1 205.305 2.106 20 0 BEADMN CCC/C=C\C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001640359982 1172167597 /nfs/dbraw/zinc/16/75/97/1172167597.db2.gz LFLHVPZXHPGXPM-NUAVKIRRSA-N 0 1 238.375 2.284 20 0 BEADMN CCC1CN(Cc2cnc3n[nH]c(C)c3c2)C1 ZINC000334521920 353887690 /nfs/dbraw/zinc/88/76/90/353887690.db2.gz HMGZVNXVNSTRJH-UHFFFAOYSA-N 0 1 230.315 2.108 20 0 BEADMN CCC1CN(Cc2cnn3ccccc23)C1 ZINC000334522250 353889433 /nfs/dbraw/zinc/88/94/33/353889433.db2.gz MMPJYSAWYNEBJH-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN Cc1scc(CN2CC[C@@](F)(CO)C2)c1C ZINC000639145811 353851810 /nfs/dbraw/zinc/85/18/10/353851810.db2.gz YCZBDLBJPZKSFU-LBPRGKRZSA-N 0 1 243.347 2.271 20 0 BEADMN Cc1cc(CN2CCC3(CCO3)CC2)sn1 ZINC000639139447 353856405 /nfs/dbraw/zinc/85/64/05/353856405.db2.gz OIVBFRGCGBTJFG-UHFFFAOYSA-N 0 1 238.356 2.206 20 0 BEADMN C[C@@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 ZINC000334530339 353908323 /nfs/dbraw/zinc/90/83/23/353908323.db2.gz DDCZRVGAFAGMIQ-SNVBAGLBSA-N 0 1 236.290 2.106 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCC[C@H]1C ZINC000343503780 353915828 /nfs/dbraw/zinc/91/58/28/353915828.db2.gz HEBOTLOLAVDYHT-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000343537278 353916690 /nfs/dbraw/zinc/91/66/90/353916690.db2.gz LSRWBBCWOBBIFG-NSHDSACASA-N 0 1 241.281 2.228 20 0 BEADMN CCN(Cc1ccc(Cl)cc1)[C@H](C)C(N)=O ZINC000343567352 353936988 /nfs/dbraw/zinc/93/69/88/353936988.db2.gz NFKNIUSRUXXOCP-SECBINFHSA-N 0 1 240.734 2.036 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@H](C)C[C@H]1C ZINC000343695569 353965682 /nfs/dbraw/zinc/96/56/82/353965682.db2.gz XSEMFADDKALZEK-GHMZBOCLSA-N 0 1 236.363 2.227 20 0 BEADMN c1nc(C2CC2)ncc1C[N@H+]1CCCSCC1 ZINC000334542756 353978430 /nfs/dbraw/zinc/97/84/30/353978430.db2.gz YXNWWZIGHWCKRZ-UHFFFAOYSA-N 0 1 249.383 2.293 20 0 BEADMN c1nc(C2CC2)ncc1CN1CCCSCC1 ZINC000334542756 353978433 /nfs/dbraw/zinc/97/84/33/353978433.db2.gz YXNWWZIGHWCKRZ-UHFFFAOYSA-N 0 1 249.383 2.293 20 0 BEADMN C[C@H]1COC(C)(C)CN1Cc1cccn1C ZINC000334552053 353992561 /nfs/dbraw/zinc/99/25/61/353992561.db2.gz JXRZKOSPLUBZEC-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN CO[C@@H](C)CN(C)[C@@H](C)c1cnc(C)nc1C ZINC000639165046 354010126 /nfs/dbraw/zinc/01/01/26/354010126.db2.gz BBIOFLGQLGUBRR-ONGXEEELSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CC3)C2)n1C1CC1 ZINC000344001005 354067144 /nfs/dbraw/zinc/06/71/44/354067144.db2.gz GCMHTLPTYRBIRX-GFCCVEGCSA-N 0 1 246.358 2.153 20 0 BEADMN CCN(CC(=O)NC1C(C)(C)C1(C)C)C1CC1 ZINC000343959298 354073363 /nfs/dbraw/zinc/07/33/63/354073363.db2.gz ZPCXQSCHAPBQPI-UHFFFAOYSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@@H](C3CC3)C2)n1 ZINC000343965642 354075893 /nfs/dbraw/zinc/07/58/93/354075893.db2.gz XBCLJGNPAGUCGV-MWLCHTKSSA-N 0 1 235.331 2.425 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344023343 354084679 /nfs/dbraw/zinc/08/46/79/354084679.db2.gz TTZVKOLXIVUVEM-PWSUYJOCSA-N 0 1 238.375 2.022 20 0 BEADMN CNC(=O)[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230408330 363308800 /nfs/dbraw/zinc/30/88/00/363308800.db2.gz FLUTZWJBNOIZTI-RQJHMYQMSA-N 0 1 246.763 2.187 20 0 BEADMN CCc1nnc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000344068179 354131239 /nfs/dbraw/zinc/13/12/39/354131239.db2.gz QBRZKHLHFORDRO-NSHDSACASA-N 0 1 235.331 2.420 20 0 BEADMN CCOC(=O)[C@H](C)N1C[C@H](C)CC(C)(C)C1 ZINC000344039089 354101853 /nfs/dbraw/zinc/10/18/53/354101853.db2.gz SXLLYMWJHNCHFC-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H]1C[C@H](C)CN1C(=O)CN(CC)C1CC1 ZINC000344039692 354103382 /nfs/dbraw/zinc/10/33/82/354103382.db2.gz REOLQLBYCLBYOB-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCNC(=O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344052693 354124338 /nfs/dbraw/zinc/12/43/38/354124338.db2.gz ILFADGACSDAUQH-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000344105674 354159565 /nfs/dbraw/zinc/15/95/65/354159565.db2.gz NHHBAMSOBPQBFP-YGOYTEALSA-N 0 1 239.290 2.272 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000344105673 354159787 /nfs/dbraw/zinc/15/97/87/354159787.db2.gz NHHBAMSOBPQBFP-SBMIAAHKSA-N 0 1 239.290 2.272 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000344105672 354160202 /nfs/dbraw/zinc/16/02/02/354160202.db2.gz NHHBAMSOBPQBFP-LNLATYFQSA-N 0 1 239.290 2.272 20 0 BEADMN Cc1ccc2nc(CNCc3cc[nH]c3)cn2c1 ZINC000344205917 354164097 /nfs/dbraw/zinc/16/40/97/354164097.db2.gz CILQJTMUKZJNFL-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN Cc1cnc(CN[C@@H](C)c2cc[nH]c(=O)c2)s1 ZINC000344196027 354181094 /nfs/dbraw/zinc/18/10/94/354181094.db2.gz JRMZUJUPVKSOAT-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344417566 354252945 /nfs/dbraw/zinc/25/29/45/354252945.db2.gz FJLWBDSNXNLZGU-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC2CC2)[C@@H](C)C1 ZINC000344426859 354253677 /nfs/dbraw/zinc/25/36/77/354253677.db2.gz QFGVJHYBEBBUAB-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN OC[C@@H](NCc1ccncc1)c1ccc(F)cc1 ZINC000344375068 354255687 /nfs/dbraw/zinc/25/56/87/354255687.db2.gz IYDWFBGJOQAOCL-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN CCCCC(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344451162 354261365 /nfs/dbraw/zinc/26/13/65/354261365.db2.gz MJAVATRVBRMEDP-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1ccc2nc(NC(=O)c3ccc[nH]3)[nH]c2c1 ZINC000344451262 354261558 /nfs/dbraw/zinc/26/15/58/354261558.db2.gz AFUQFCAHKZHFDT-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1=CCCCC1 ZINC000334594962 354227483 /nfs/dbraw/zinc/22/74/83/354227483.db2.gz VBUISBBHPMITNP-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCOC(C)(C)C ZINC000344473494 354268385 /nfs/dbraw/zinc/26/83/85/354268385.db2.gz LVZONUIKMCBUPQ-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CCOCCNCc1c(Cl)cccc1OC ZINC000118447667 354311815 /nfs/dbraw/zinc/31/18/15/354311815.db2.gz KOXIRJIIDVGJTJ-UHFFFAOYSA-N 0 1 243.734 2.475 20 0 BEADMN Cc1ccncc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000334605607 354311910 /nfs/dbraw/zinc/31/19/10/354311910.db2.gz JFXFRULADJTBQV-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CCn1cncc1CN1CC=C(C)CC1 ZINC000334608835 354316277 /nfs/dbraw/zinc/31/62/77/354316277.db2.gz CMNFRAOTQYJVFB-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)n(C)n1 ZINC000334608972 354316579 /nfs/dbraw/zinc/31/65/79/354316579.db2.gz FAUHQPRHIMMITJ-QWRGUYRKSA-N 0 1 239.388 2.054 20 0 BEADMN CSCCN(C)Cc1cncc(F)c1 ZINC000344628632 354330061 /nfs/dbraw/zinc/33/00/61/354330061.db2.gz AGUZDTYGUIPOOZ-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN Cc1ncc([C@H](C)N[C@@H](C)CF)c(C)n1 ZINC000639182780 354338732 /nfs/dbraw/zinc/33/87/32/354338732.db2.gz LLSNHNJZDUHVPC-YUMQZZPRSA-N 0 1 211.284 2.102 20 0 BEADMN C[C@H](CF)N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639182944 354340126 /nfs/dbraw/zinc/34/01/26/354340126.db2.gz NEHSKYUDDPOYJI-KOLCDFICSA-N 0 1 240.326 2.374 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334632771 354376138 /nfs/dbraw/zinc/37/61/38/354376138.db2.gz SNKZSPDCHCDUSB-IUCAKERBSA-N 0 1 233.315 2.158 20 0 BEADMN c1ccc2oc(CN[C@H]3CCCOC3)nc2c1 ZINC000639187867 354389126 /nfs/dbraw/zinc/38/91/26/354389126.db2.gz PEQGVSHDKLOTLS-JTQLQIEISA-N 0 1 232.283 2.096 20 0 BEADMN c1cnc(CN2CC3(CCC3)[C@@H]2C2CC2)cn1 ZINC000334645726 354434840 /nfs/dbraw/zinc/43/48/40/354434840.db2.gz JKLLZDFWAPHWNN-ZDUSSCGKSA-N 0 1 229.327 2.241 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H]1C1CC1 ZINC000334668983 354409240 /nfs/dbraw/zinc/40/92/40/354409240.db2.gz DONPMOSBGHUZDV-NSHDSACASA-N 0 1 247.342 2.466 20 0 BEADMN CC[C@H]1CCCN1Cc1nccc(C)n1 ZINC000334673457 354416282 /nfs/dbraw/zinc/41/62/82/354416282.db2.gz ZWYOAYXDOUKXMX-NSHDSACASA-N 0 1 205.305 2.159 20 0 BEADMN Cc1cnccc1CN1CCOCC2(CC2)C1 ZINC000334651699 354444667 /nfs/dbraw/zinc/44/46/67/354444667.db2.gz LKSMSOLNAWLLEK-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000334665771 354467779 /nfs/dbraw/zinc/46/77/79/354467779.db2.gz KWPQOCFMVRXCKE-QMMMGPOBSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@H](NC(=O)C1=CCC(C)(C)CC1)c1nnc[nH]1 ZINC000334728173 354528784 /nfs/dbraw/zinc/52/87/84/354528784.db2.gz WZKUPAZWBIUVCS-VIFPVBQESA-N 0 1 248.330 2.118 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)n[nH]1 ZINC000334742818 354546168 /nfs/dbraw/zinc/54/61/68/354546168.db2.gz IAPKYJGJSNFGAH-DGCLKSJQSA-N 0 1 249.358 2.471 20 0 BEADMN CO[C@H]1CCN(Cc2ncc(C)s2)C[C@H]1C ZINC000334738253 354540561 /nfs/dbraw/zinc/54/05/61/354540561.db2.gz HZXRTIZZNMQOCA-KOLCDFICSA-N 0 1 240.372 2.308 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@H]2CCC[C@@H]21 ZINC000334709045 354504121 /nfs/dbraw/zinc/50/41/21/354504121.db2.gz WQKUEJTXAMPQMY-SKDRFNHKSA-N 0 1 245.326 2.302 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)C1 ZINC000334713813 354511097 /nfs/dbraw/zinc/51/10/97/354511097.db2.gz BUKGCJLBMMJQEM-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CCc1nc(NC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000334716655 354515742 /nfs/dbraw/zinc/51/57/42/354515742.db2.gz XSTSASSTHMTVAK-QMMMGPOBSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C2=CC[C@H](C)CC2)n1 ZINC000334716655 354515746 /nfs/dbraw/zinc/51/57/46/354515746.db2.gz XSTSASSTHMTVAK-QMMMGPOBSA-N 0 1 234.303 2.052 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc2ccccc2o1 ZINC000639193577 354559630 /nfs/dbraw/zinc/55/96/30/354559630.db2.gz OGUYORINYVEGBT-NXEZZACHSA-N 0 1 234.299 2.341 20 0 BEADMN CCN(Cc1cc(C)ns1)[C@@H]1CCOC1 ZINC000639199514 354602878 /nfs/dbraw/zinc/60/28/78/354602878.db2.gz YDOFNWINKHHAPO-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1cnccc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000334759055 354580293 /nfs/dbraw/zinc/58/02/93/354580293.db2.gz YXSWYFONBFMPNH-GFCCVEGCSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1cnccc1CN1CCOC(C)(C)[C@H]1C ZINC000334759055 354580296 /nfs/dbraw/zinc/58/02/96/354580296.db2.gz YXSWYFONBFMPNH-GFCCVEGCSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1occc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000334847372 354595191 /nfs/dbraw/zinc/59/51/91/354595191.db2.gz SUZJXUCAZCLCRQ-LLVKDONJSA-N 0 1 245.269 2.038 20 0 BEADMN CC[C@H](CNCc1cc(C2CC2)no1)OC ZINC000639196111 354597282 /nfs/dbraw/zinc/59/72/82/354597282.db2.gz XONPSIRSSPMMDN-SNVBAGLBSA-N 0 1 224.304 2.067 20 0 BEADMN CCN(Cc1cc(C)ns1)C[C@@H](C)OC ZINC000639196802 354598509 /nfs/dbraw/zinc/59/85/09/354598509.db2.gz MOIBYCPBNJHVBI-SNVBAGLBSA-N 0 1 228.361 2.308 20 0 BEADMN CCN([C@@H](C)c1cnc(C)nc1C)[C@H]1CCOC1 ZINC000639198110 354599369 /nfs/dbraw/zinc/59/93/69/354599369.db2.gz ODBKGMATSLWZPE-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN CC[C@@H]1CCN1[C@@H](c1nccn1C)C1CC1 ZINC000639202775 354607653 /nfs/dbraw/zinc/60/76/53/354607653.db2.gz KDDMWNYXOONOCG-VXGBXAGGSA-N 0 1 219.332 2.356 20 0 BEADMN CC(C)N(C(=O)c1ccn[nH]1)C1CC(C)(C)C1 ZINC000335088698 354623117 /nfs/dbraw/zinc/62/31/17/354623117.db2.gz CXJQDZAHJOTHAL-UHFFFAOYSA-N 0 1 235.331 2.449 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000335089488 354624113 /nfs/dbraw/zinc/62/41/13/354624113.db2.gz ATGNASRHBLNRSQ-JTQLQIEISA-N 0 1 209.289 2.056 20 0 BEADMN CC(C)n1cncc1CN1[C@H](C)C[C@H]1C ZINC000335116951 354706972 /nfs/dbraw/zinc/70/69/72/354706972.db2.gz WRCOUSODXLANQS-GHMZBOCLSA-N 0 1 207.321 2.447 20 0 BEADMN CCc1nocc1C[N@@H+](C)CCC[C@H]1CCO1 ZINC000639208994 354713849 /nfs/dbraw/zinc/71/38/49/354713849.db2.gz JPAOCVQCDYOIBC-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CC(F)(F)CNCCC1CCOCC1 ZINC000639208510 354718497 /nfs/dbraw/zinc/71/84/97/354718497.db2.gz WTWUKSGZNOQQKE-UHFFFAOYSA-N 0 1 207.264 2.048 20 0 BEADMN CO[C@@H](CNCc1nc2ccccc2o1)C1CC1 ZINC000639209225 354721905 /nfs/dbraw/zinc/72/19/05/354721905.db2.gz POXACYOUXKPVET-ZDUSSCGKSA-N 0 1 246.310 2.342 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCCC[C@@H]1C ZINC000335118997 354723841 /nfs/dbraw/zinc/72/38/41/354723841.db2.gz WXUXWEDFFCJLKZ-CABZTGNLSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCCC[C@H]1C ZINC000335118996 354724058 /nfs/dbraw/zinc/72/40/58/354724058.db2.gz WXUXWEDFFCJLKZ-BXKDBHETSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1csc(CN2CC[C@H]3OCC[C@H]3C2)n1 ZINC000366907279 354728552 /nfs/dbraw/zinc/72/85/52/354728552.db2.gz MBVBUHMFTPOXHS-WDEREUQCSA-N 0 1 238.356 2.062 20 0 BEADMN CO[C@H](C)[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000639211919 354765540 /nfs/dbraw/zinc/76/55/40/354765540.db2.gz YRMTXGHUYPKXJL-VHSXEESVSA-N 0 1 220.316 2.406 20 0 BEADMN CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(C)(C)OC ZINC000345790389 354768788 /nfs/dbraw/zinc/76/87/88/354768788.db2.gz PNKVXUNSUJNYJG-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H](NCCC[C@@H]1CCO1)C(F)F ZINC000639214743 354825959 /nfs/dbraw/zinc/82/59/59/354825959.db2.gz SAJAIYAMMVJRHW-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)OC[C@@H]1CC ZINC000234052714 363414129 /nfs/dbraw/zinc/41/41/29/363414129.db2.gz LOVJHYCYIQHING-RYUDHWBXSA-N 0 1 227.348 2.245 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CCNC(=O)[C@H]2C)C1 ZINC000346227895 354874572 /nfs/dbraw/zinc/87/45/72/354874572.db2.gz YOKZRRMVBLPHEH-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000335145199 354853611 /nfs/dbraw/zinc/85/36/11/354853611.db2.gz CTPNQLKNZIPOMO-NXEZZACHSA-N 0 1 217.316 2.337 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000335145200 354853890 /nfs/dbraw/zinc/85/38/90/354853890.db2.gz CTPNQLKNZIPOMO-UWVGGRQHSA-N 0 1 217.316 2.337 20 0 BEADMN Cc1ccsc1C[NH+]=c1[n-]nc2ccccn21 ZINC000346378484 354904812 /nfs/dbraw/zinc/90/48/12/354904812.db2.gz KSQSGOXBCVWYTA-UHFFFAOYSA-N 0 1 244.323 2.133 20 0 BEADMN Cc1ccccc1C[NH+]=c1[n-]nc2ccccn21 ZINC000346392101 354908697 /nfs/dbraw/zinc/90/86/97/354908697.db2.gz VXPDCMWIKBZWEM-UHFFFAOYSA-N 0 1 238.294 2.072 20 0 BEADMN CN(Cc1cn2cccnc2n1)C1CC(C)(C)C1 ZINC000335165894 354922772 /nfs/dbraw/zinc/92/27/72/354922772.db2.gz GSJCCKLAZYKWAF-UHFFFAOYSA-N 0 1 244.342 2.350 20 0 BEADMN COc1cncc(C[N@H+]2CC[C@@H]2C2CC2)c1C ZINC000639223124 354928538 /nfs/dbraw/zinc/92/85/38/354928538.db2.gz RJPNPPOIVFHRKI-CYBMUJFWSA-N 0 1 232.327 2.383 20 0 BEADMN CCOC(=O)[C@H](C)N(CC1CCC1)C1CC1 ZINC000346417424 354950915 /nfs/dbraw/zinc/95/09/15/354950915.db2.gz OIBDUXOZXYSAOP-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN CCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623201475 354952659 /nfs/dbraw/zinc/95/26/59/354952659.db2.gz PKRFOOOEQUFHBD-CABZTGNLSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CCCN1C ZINC000346472817 354955490 /nfs/dbraw/zinc/95/54/90/354955490.db2.gz LADCYSUIUIHQPO-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN c1cnc(CN2CCC[C@]3(CCSC3)C2)cn1 ZINC000335229048 355071808 /nfs/dbraw/zinc/07/18/08/355071808.db2.gz XNPKMXWGPSEMMY-ZDUSSCGKSA-N 0 1 249.383 2.196 20 0 BEADMN Cc1cnc(CNCCCc2ncccc2C)o1 ZINC000639228251 355104208 /nfs/dbraw/zinc/10/42/08/355104208.db2.gz JIGCZWNEIDZRKD-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN C[C@H]1CN(CCOC2CCC2)CC(C)(C)O1 ZINC000346824088 355126217 /nfs/dbraw/zinc/12/62/17/355126217.db2.gz LKSDCCZZWKRIIZ-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN Cn1cc(Cl)c(CNC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000639227752 355090876 /nfs/dbraw/zinc/09/08/76/355090876.db2.gz RPMAPESUIYXVOG-ILWJIGKKSA-N 0 1 239.750 2.209 20 0 BEADMN CCC1(CC)CN(CC[C@H](C)F)CC[S@]1=O ZINC000351997386 134033284 /nfs/dbraw/zinc/03/32/84/134033284.db2.gz XWDWGSCTSRYGJJ-MEDUHNTESA-N 0 1 249.395 2.358 20 0 BEADMN CCC1(NC(=O)[C@@H]2CCCN2C)CCCCC1 ZINC000335238864 355100885 /nfs/dbraw/zinc/10/08/85/355100885.db2.gz QDLJSWYHRKYAPU-LBPRGKRZSA-N 0 1 238.375 2.310 20 0 BEADMN Cc1cc(C)cc(NC(=O)N2CCN[C@H](C)C2)c1 ZINC000335249488 355168918 /nfs/dbraw/zinc/16/89/18/355168918.db2.gz GNWFSIHTJXMMHI-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccns2)C[C@@H]1C ZINC000639230261 355150765 /nfs/dbraw/zinc/15/07/65/355150765.db2.gz KRDBBAWATXNUQL-CMPLNLGQSA-N 0 1 240.372 2.390 20 0 BEADMN CC(C)(C)c1noc(CCCCc2cn[nH]n2)n1 ZINC000346928877 355179458 /nfs/dbraw/zinc/17/94/58/355179458.db2.gz DTTNYYYXQFNLAH-UHFFFAOYSA-N 0 1 249.318 2.051 20 0 BEADMN C[C@@H](c1nncn1C)N(C)C[C@H]1CC=CCC1 ZINC000346934778 355182776 /nfs/dbraw/zinc/18/27/76/355182776.db2.gz CLXPAKKQARCFFQ-RYUDHWBXSA-N 0 1 234.347 2.164 20 0 BEADMN c1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)no1 ZINC000639232889 355214739 /nfs/dbraw/zinc/21/47/39/355214739.db2.gz QQCPIVBDQSGRHP-OLZOCXBDSA-N 0 1 218.300 2.295 20 0 BEADMN CCC[C@@H](O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000412988660 191330730 /nfs/dbraw/zinc/33/07/30/191330730.db2.gz LSLJKUHHXPOTQP-MRVPVSSYSA-N 0 1 243.376 2.355 20 0 BEADMN CCC[C@@H](O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000412988660 191330733 /nfs/dbraw/zinc/33/07/33/191330733.db2.gz LSLJKUHHXPOTQP-MRVPVSSYSA-N 0 1 243.376 2.355 20 0 BEADMN CC[C@H](C)CN(C)Cc1cn(C(C)C)nn1 ZINC000347588400 355248474 /nfs/dbraw/zinc/24/84/74/355248474.db2.gz NEYREVBSWNPFGQ-NSHDSACASA-N 0 1 224.352 2.337 20 0 BEADMN CC[C@@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347592138 355249257 /nfs/dbraw/zinc/24/92/57/355249257.db2.gz QILFURZTVNSWEE-SNVBAGLBSA-N 0 1 210.325 2.089 20 0 BEADMN Cc1cnc(CNC[C@@H]2CC[C@H](C)O2)s1 ZINC000235637810 363449963 /nfs/dbraw/zinc/44/99/63/363449963.db2.gz WFVYTSGNBLIJON-WPRPVWTQSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1csc2ncnc(NCCN3CCC3)c12 ZINC000413193493 191362362 /nfs/dbraw/zinc/36/23/62/191362362.db2.gz AHOCFTUKPCCJIH-UHFFFAOYSA-N 0 1 248.355 2.117 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000335287638 355256559 /nfs/dbraw/zinc/25/65/59/355256559.db2.gz AFHXLWGGSQZJPR-MWLCHTKSSA-N 0 1 243.310 2.020 20 0 BEADMN Cc1nsc(NCCC2CC(F)(F)C2)n1 ZINC000413337393 191375601 /nfs/dbraw/zinc/37/56/01/191375601.db2.gz NQXLTIMOHZFYPZ-UHFFFAOYSA-N 0 1 233.287 2.116 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)n2)CC12CCC2 ZINC000335287671 355257525 /nfs/dbraw/zinc/25/75/25/355257525.db2.gz CEQNWZFZCNXZFF-GFCCVEGCSA-N 0 1 233.359 2.432 20 0 BEADMN CC[C@H](CN1CC(C)(O)C1)c1ccccc1 ZINC000639253265 355290167 /nfs/dbraw/zinc/29/01/67/355290167.db2.gz CEIYLOBTSQRZAL-GFCCVEGCSA-N 0 1 219.328 2.247 20 0 BEADMN C[C@H](CCN1CC(C)(O)C1)c1ccccc1 ZINC000639253840 355293156 /nfs/dbraw/zinc/29/31/56/355293156.db2.gz RYOSAFSLOPMZEP-GFCCVEGCSA-N 0 1 219.328 2.247 20 0 BEADMN CCC1CN(Cc2cccc(F)c2N)C1 ZINC000639249152 355280353 /nfs/dbraw/zinc/28/03/53/355280353.db2.gz SFLRTDCLTVARGP-UHFFFAOYSA-N 0 1 208.280 2.250 20 0 BEADMN COCCCCN(C)Cc1ccns1 ZINC000639272037 355339981 /nfs/dbraw/zinc/33/99/81/355339981.db2.gz LUFKNISHVBUPLN-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(F)c1 ZINC000639277347 355355008 /nfs/dbraw/zinc/35/50/08/355355008.db2.gz UPLQWYSRKDDBQF-DGCLKSJQSA-N 0 1 237.318 2.479 20 0 BEADMN CCC[C@H](C[N@H+]1C[C@@H](C)OC2(CCC2)C1)OC ZINC000639288890 355404413 /nfs/dbraw/zinc/40/44/13/355404413.db2.gz UEAOAVKBLAKOTA-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN O[C@@H]([C@@H]1CCC[N@H+]1CCCCF)C(F)(F)F ZINC000352024467 134040472 /nfs/dbraw/zinc/04/04/72/134040472.db2.gz GYLITQMEEXCFQT-IUCAKERBSA-N 0 1 243.244 2.124 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc2n1CCCC2 ZINC000335783490 355431432 /nfs/dbraw/zinc/43/14/32/355431432.db2.gz BSJJABUKVDRLLE-NWDGAFQWSA-N 0 1 248.374 2.235 20 0 BEADMN Cc1ccc(CN2CCSCC2)c(C)n1 ZINC000335783197 355431518 /nfs/dbraw/zinc/43/15/18/355431518.db2.gz ZXXYUPIDCNCWCX-UHFFFAOYSA-N 0 1 222.357 2.247 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000335786495 355436166 /nfs/dbraw/zinc/43/61/66/355436166.db2.gz PEEWUKZXQGOGOE-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN Cn1ncc(Cl)c1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000335792995 355446255 /nfs/dbraw/zinc/44/62/55/355446255.db2.gz INOBGXFELDUBBX-KOLCDFICSA-N 0 1 239.750 2.448 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@H]2CCC[C@@H]21 ZINC000335792995 355446257 /nfs/dbraw/zinc/44/62/57/355446257.db2.gz INOBGXFELDUBBX-KOLCDFICSA-N 0 1 239.750 2.448 20 0 BEADMN CC(C)(CF)NCc1cc(-c2cccnc2)n[nH]1 ZINC000349799706 355465008 /nfs/dbraw/zinc/46/50/08/355465008.db2.gz IEJIYFYBOGHHER-UHFFFAOYSA-N 0 1 248.305 2.309 20 0 BEADMN C[C@@H](CC1CCCCC1)C[N@@H+](C)CC(N)=O ZINC000349962892 355542894 /nfs/dbraw/zinc/54/28/94/355542894.db2.gz IHMVJFQHADWTRI-NSHDSACASA-N 0 1 226.364 2.010 20 0 BEADMN O=C(N[C@@H]1CC12CCCC2)[C@@H]1CCCN1C1CC1 ZINC000335845910 355589442 /nfs/dbraw/zinc/58/94/42/355589442.db2.gz IZYVADUTKUYQFC-QWHCGFSZSA-N 0 1 248.370 2.062 20 0 BEADMN CC(C)c1nc(CN2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000335859905 355605501 /nfs/dbraw/zinc/60/55/01/355605501.db2.gz YGUVKURISXOMIT-QWRGUYRKSA-N 0 1 236.363 2.406 20 0 BEADMN CN(Cc1n[nH]c(C(C)(C)C)n1)C(C)(C)C ZINC000583562648 355612389 /nfs/dbraw/zinc/61/23/89/355612389.db2.gz FKIGMJPMEKCOOH-UHFFFAOYSA-N 0 1 224.352 2.333 20 0 BEADMN CC1(C)C[C@H](NCc2cc(C3CC3)no2)CO1 ZINC000639301764 355642363 /nfs/dbraw/zinc/64/23/63/355642363.db2.gz BHBCWPOCGCRLME-JTQLQIEISA-N 0 1 236.315 2.209 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000582186508 355655344 /nfs/dbraw/zinc/65/53/44/355655344.db2.gz FHGMMYHPZWDXDV-NQBHXWOUSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000335862616 355626195 /nfs/dbraw/zinc/62/61/95/355626195.db2.gz STZQLFXZECTKKR-PHIMTYICSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000335862616 355626197 /nfs/dbraw/zinc/62/61/97/355626197.db2.gz STZQLFXZECTKKR-PHIMTYICSA-N 0 1 236.363 2.121 20 0 BEADMN NC(=O)[C@@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000328884077 181203926 /nfs/dbraw/zinc/20/39/26/181203926.db2.gz MPYOLRJISGYOIO-RYUDHWBXSA-N 0 1 238.331 2.111 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C3CC3)C2)nc1 ZINC000335867747 355632750 /nfs/dbraw/zinc/63/27/50/355632750.db2.gz DVBKJQBTZUSJGC-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)cn1 ZINC000335869980 355635739 /nfs/dbraw/zinc/63/57/39/355635739.db2.gz KREXBTBVTYFBPX-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCCOC2)cn1 ZINC000335869980 355635743 /nfs/dbraw/zinc/63/57/43/355635743.db2.gz KREXBTBVTYFBPX-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(C)n1cc(CNC2(C)CCC2)nn1 ZINC000189958647 355711351 /nfs/dbraw/zinc/71/13/51/355711351.db2.gz RAQPBSPUPAHWKY-UHFFFAOYSA-N 0 1 222.336 2.065 20 0 BEADMN CC[C@H](O)CCN[C@H]1CCCc2scnc21 ZINC000623907324 355773192 /nfs/dbraw/zinc/77/31/92/355773192.db2.gz SVTQAMMEIHRVLK-UWVGGRQHSA-N 0 1 240.372 2.271 20 0 BEADMN CC(C)C1(CN2CCc3nccnc3C2)CC1 ZINC000639330221 355747228 /nfs/dbraw/zinc/74/72/28/355747228.db2.gz JWMVYIWIGOLMEK-UHFFFAOYSA-N 0 1 231.343 2.271 20 0 BEADMN C[C@H]1C[C@H]1CN1Cc2ccccc2N(C)C(=O)C1 ZINC000623247705 355774970 /nfs/dbraw/zinc/77/49/70/355774970.db2.gz KWNZAMUVIJDAKJ-AAEUAGOBSA-N 0 1 244.338 2.121 20 0 BEADMN Cc1ncc([C@H](C)[N@@H+](C)C2(CO)CCC2)c(C)n1 ZINC000639333218 355762186 /nfs/dbraw/zinc/76/21/86/355762186.db2.gz VANWHLFDJKFQCL-NSHDSACASA-N 0 1 249.358 2.001 20 0 BEADMN CN(C)CC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000608470755 355762736 /nfs/dbraw/zinc/76/27/36/355762736.db2.gz KNCHIMIRDXWWHY-AWEZNQCLSA-N 0 1 246.354 2.206 20 0 BEADMN CCOC(=O)CN(CC)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403125027 355776288 /nfs/dbraw/zinc/77/62/88/355776288.db2.gz PPKSLEYQJDIHOK-FRRDWIJNSA-N 0 1 239.359 2.308 20 0 BEADMN CO[C@@H](CN1CC2(C1)CCCO2)C1CCCC1 ZINC000639347602 355794043 /nfs/dbraw/zinc/79/40/43/355794043.db2.gz OUVDOXXHYJPZLY-ZDUSSCGKSA-N 0 1 239.359 2.056 20 0 BEADMN CO[C@H](CN1CC2(C1)CCCO2)C1CCCC1 ZINC000639347600 355794086 /nfs/dbraw/zinc/79/40/86/355794086.db2.gz OUVDOXXHYJPZLY-CYBMUJFWSA-N 0 1 239.359 2.056 20 0 BEADMN CCC(F)(F)CNCCC[C@H]1CCO1 ZINC000639350701 355798656 /nfs/dbraw/zinc/79/86/56/355798656.db2.gz MULZMGMBSGRCHG-VIFPVBQESA-N 0 1 207.264 2.190 20 0 BEADMN CCOC[C@@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC000352064452 134054774 /nfs/dbraw/zinc/05/47/74/134054774.db2.gz YMNWJOMPHHCQLI-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN c1n[nH]cc1CN1CC(c2ccccc2)C1 ZINC000639361650 355815464 /nfs/dbraw/zinc/81/54/64/355815464.db2.gz MBAVFSDRIVWMBR-UHFFFAOYSA-N 0 1 213.284 2.009 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@H]2CCC[C@@H]21 ZINC000294820633 355873145 /nfs/dbraw/zinc/87/31/45/355873145.db2.gz QJYZQOHEYFYMHN-ONGXEEELSA-N 0 1 233.315 2.060 20 0 BEADMN COc1cc(CNC2(C)COC2)ccc1Cl ZINC000639380117 355916210 /nfs/dbraw/zinc/91/62/10/355916210.db2.gz ADJXFTGSUGCWFH-UHFFFAOYSA-N 0 1 241.718 2.227 20 0 BEADMN CC1(NC/C=C/c2ccc(F)cc2)COC1 ZINC000639380188 355916490 /nfs/dbraw/zinc/91/64/90/355916490.db2.gz BNLWKLRLTMVVPI-NSCUHMNNSA-N 0 1 221.275 2.217 20 0 BEADMN CC1(NCc2ccc3[nH]ccc3c2)COC1 ZINC000639381486 355918141 /nfs/dbraw/zinc/91/81/41/355918141.db2.gz WDMMUDOLAPYVLJ-UHFFFAOYSA-N 0 1 216.284 2.046 20 0 BEADMN CC1(NCc2cccc(OC(F)F)c2)COC1 ZINC000639382673 355930094 /nfs/dbraw/zinc/93/00/94/355930094.db2.gz VRTGHDDCYOVSBS-UHFFFAOYSA-N 0 1 243.253 2.167 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2ccco2)C1 ZINC000351415682 355987549 /nfs/dbraw/zinc/98/75/49/355987549.db2.gz OQLUUINBGRJYGQ-MDZLAQPJSA-N 0 1 221.300 2.309 20 0 BEADMN Cc1ncc(NC(=O)c2c[nH]nc2C2CC2)s1 ZINC000336075195 134072922 /nfs/dbraw/zinc/07/29/22/134072922.db2.gz CJKGBGDKUYRRQZ-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN C[C@@H](c1cccc(F)c1)N1CCc2n[nH]nc2C1 ZINC000351638304 356039697 /nfs/dbraw/zinc/03/96/97/356039697.db2.gz BPJYYCNFZGPBFF-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000003747950 356048606 /nfs/dbraw/zinc/04/86/06/356048606.db2.gz PEZOKWHYELQTBE-ZDUSSCGKSA-N 0 1 233.311 2.352 20 0 BEADMN COc1coc(CN2CCCC[C@H]2C)cc1=O ZINC000351683432 356056313 /nfs/dbraw/zinc/05/63/13/356056313.db2.gz CQZVHKDIYVQJDM-SNVBAGLBSA-N 0 1 237.299 2.023 20 0 BEADMN CC(C)[C@H](CO)NCc1cc(C(C)(C)C)on1 ZINC000351593430 356024904 /nfs/dbraw/zinc/02/49/04/356024904.db2.gz NSOFWZSBVZDTTQ-NSHDSACASA-N 0 1 240.347 2.079 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N1CCc2n[nH]nc2C1 ZINC000351610807 356027777 /nfs/dbraw/zinc/02/77/77/356027777.db2.gz XZSSZQNOISGHNW-VIFPVBQESA-N 0 1 246.289 2.063 20 0 BEADMN Cc1cnc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000639395894 356106800 /nfs/dbraw/zinc/10/68/00/356106800.db2.gz OVWUEGBIYQTLCG-ZYHUDNBSSA-N 0 1 206.289 2.405 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000617568405 356123443 /nfs/dbraw/zinc/12/34/43/356123443.db2.gz BURNGDHLSXPOPG-SNVBAGLBSA-N 0 1 237.347 2.283 20 0 BEADMN C[C@@H](F)CCN[C@H](CO)c1c(F)cccc1F ZINC000351721047 356070126 /nfs/dbraw/zinc/07/01/26/356070126.db2.gz RFSQSSKCESTTAP-LDYMZIIASA-N 0 1 247.260 2.336 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351821822 356090279 /nfs/dbraw/zinc/09/02/79/356090279.db2.gz BMOJHTHQPHFXEG-ZDMBXUJBSA-N 0 1 241.281 2.338 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CC[C@H](C)F ZINC000351862252 356099485 /nfs/dbraw/zinc/09/94/85/356099485.db2.gz UALVUPMVTVRPPS-WDEREUQCSA-N 0 1 231.311 2.152 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000335915761 356156007 /nfs/dbraw/zinc/15/60/07/356156007.db2.gz NDWQMVXMQHQZJW-GFCCVEGCSA-N 0 1 205.305 2.159 20 0 BEADMN C[C@H]1N(Cc2ccn(C)c2)CCOC1(C)C ZINC000335916508 356158299 /nfs/dbraw/zinc/15/82/99/356158299.db2.gz TZDRFFWTUJDLRC-LLVKDONJSA-N 0 1 222.332 2.024 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000335916967 356160021 /nfs/dbraw/zinc/16/00/21/356160021.db2.gz NGWGCECOPSRNAB-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000617634246 356218290 /nfs/dbraw/zinc/21/82/90/356218290.db2.gz SBQQPHIRFVMYFL-SECBINFHSA-N 0 1 246.314 2.124 20 0 BEADMN Cc1ccc(CN(C)Cc2cc[nH]c(=O)c2)o1 ZINC000639443936 356220516 /nfs/dbraw/zinc/22/05/16/356220516.db2.gz ZEDWYWPPDRUVEW-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccccn1 ZINC000639443783 356222388 /nfs/dbraw/zinc/22/23/88/356222388.db2.gz VGXWXRUSTFDOLP-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN COC[C@@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000526114287 356226469 /nfs/dbraw/zinc/22/64/69/356226469.db2.gz HLPIRZWULUFTBE-ZFWWWQNUSA-N 0 1 249.354 2.342 20 0 BEADMN C[C@H](N(C)CC(=O)Nc1ccccn1)C(C)(C)C ZINC000639448957 356229392 /nfs/dbraw/zinc/22/93/92/356229392.db2.gz ZNCJORRFJYHMTJ-NSHDSACASA-N 0 1 249.358 2.387 20 0 BEADMN CC[C@H](C)CCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000617639432 356245772 /nfs/dbraw/zinc/24/57/72/356245772.db2.gz FWCFIBMUQMNMSF-JTQLQIEISA-N 0 1 237.347 2.240 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2nc(CC3CC3)no2)C1 ZINC000639493782 356316803 /nfs/dbraw/zinc/31/68/03/356316803.db2.gz CUYXRGJJVQLMSI-NXEZZACHSA-N 0 1 235.331 2.252 20 0 BEADMN CC(=O)CN1CCC(C2CCCC2)CC1 ZINC000639505132 356332911 /nfs/dbraw/zinc/33/29/11/356332911.db2.gz LJLPTYKGZNKBJM-UHFFFAOYSA-N 0 1 209.333 2.478 20 0 BEADMN CC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000639509375 356338360 /nfs/dbraw/zinc/33/83/60/356338360.db2.gz APHLZWAMSUUJDN-HNNXBMFYSA-N 0 1 246.354 2.176 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000639509376 356339282 /nfs/dbraw/zinc/33/92/82/356339282.db2.gz APHLZWAMSUUJDN-OAHLLOKOSA-N 0 1 246.354 2.176 20 0 BEADMN Cc1ncc(C(=O)N2CCC(C3CCC3)CC2)[nH]1 ZINC000617773343 356340494 /nfs/dbraw/zinc/34/04/94/356340494.db2.gz JJWDQLXLCMGNAE-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN FC1=CCCN(CCC2CCOCC2)C1 ZINC000336138392 134096996 /nfs/dbraw/zinc/09/69/96/134096996.db2.gz OQUSOVRGPZOYEY-UHFFFAOYSA-N 0 1 213.296 2.362 20 0 BEADMN CC[C@@H]1CN(C)c2ccccc2CN1CC(C)=O ZINC000639515520 356352270 /nfs/dbraw/zinc/35/22/70/356352270.db2.gz ZAQRUVSFVNQCST-CQSZACIVSA-N 0 1 246.354 2.306 20 0 BEADMN CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000006875238 356352464 /nfs/dbraw/zinc/35/24/64/356352464.db2.gz QAVTYBFZFNGBKY-CYBMUJFWSA-N 0 1 249.310 2.134 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2NC1CC(C)(C)C1 ZINC000336130781 134094351 /nfs/dbraw/zinc/09/43/51/134094351.db2.gz DRJXFZFFOSRIHQ-LLVKDONJSA-N 0 1 234.347 2.200 20 0 BEADMN C[C@H]1CC[S@@](=O)CCN1CCC1CCCC1 ZINC000336131712 134094685 /nfs/dbraw/zinc/09/46/85/134094685.db2.gz RIXVNSFBOYJOPL-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN CCC[C@H]1CN(Cc2cccc(N)c2)CCO1 ZINC000420362516 192222489 /nfs/dbraw/zinc/22/24/89/192222489.db2.gz OMAQKBLYXJOIAC-AWEZNQCLSA-N 0 1 234.343 2.270 20 0 BEADMN CCC[C@H]1CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639549591 356417395 /nfs/dbraw/zinc/41/73/95/356417395.db2.gz SWEUGSSQEVZNAJ-STQMWFEESA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@]1(C)CCCN([C@@H](C)c2nncn2C)C1 ZINC000336147766 134103197 /nfs/dbraw/zinc/10/31/97/134103197.db2.gz XDBQJVCQERPJFK-WCQYABFASA-N 0 1 236.363 2.388 20 0 BEADMN CC1(C)CO[C@H](CN2CCOCC23CCC3)C1 ZINC000639545101 356405695 /nfs/dbraw/zinc/40/56/95/356405695.db2.gz QOBQIBOULPODBO-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000336604352 356405729 /nfs/dbraw/zinc/40/57/29/356405729.db2.gz CBNLAYMCECCHCH-GFCCVEGCSA-N 0 1 243.310 2.349 20 0 BEADMN C[C@@H](O)CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352209310 134107291 /nfs/dbraw/zinc/10/72/91/134107291.db2.gz AVMWFIMQDDOJER-DGCLKSJQSA-N 0 1 237.347 2.098 20 0 BEADMN C[C@H](O)CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352209309 134107551 /nfs/dbraw/zinc/10/75/51/134107551.db2.gz AVMWFIMQDDOJER-AAEUAGOBSA-N 0 1 237.347 2.098 20 0 BEADMN Cc1nc(CN2CCC3(CC3)CC2)[nH]c1C ZINC000639551519 356435675 /nfs/dbraw/zinc/43/56/75/356435675.db2.gz OBPSMESKTUWUBU-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccn1 ZINC000639558645 356464043 /nfs/dbraw/zinc/46/40/43/356464043.db2.gz FTONWICVQZLBEU-NWDGAFQWSA-N 0 1 247.342 2.283 20 0 BEADMN CC(=O)CNC(C)(C)c1cccc(C)c1 ZINC000639564581 356481399 /nfs/dbraw/zinc/48/13/99/356481399.db2.gz AASVIPOOJBJCBR-UHFFFAOYSA-N 0 1 205.301 2.409 20 0 BEADMN CC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000336165833 134112872 /nfs/dbraw/zinc/11/28/72/134112872.db2.gz GNFIXMYSZPCIJT-UHFFFAOYSA-N 0 1 233.193 2.167 20 0 BEADMN COc1ccc([C@@H](C)NCC(C)=O)cc1F ZINC000639561421 356477093 /nfs/dbraw/zinc/47/70/93/356477093.db2.gz HBARCXOAGMKYBI-SECBINFHSA-N 0 1 225.263 2.074 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@@H]1CCCOC1 ZINC000336175575 134114468 /nfs/dbraw/zinc/11/44/68/134114468.db2.gz IISNWSDWGQPCCY-OLZOCXBDSA-N 0 1 234.343 2.291 20 0 BEADMN Cc1csc([C@@H](C)NCc2cc[nH]c(=O)c2)n1 ZINC000639582052 356502826 /nfs/dbraw/zinc/50/28/26/356502826.db2.gz ZPRWDGIJWDONSQ-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336172631 134115637 /nfs/dbraw/zinc/11/56/37/134115637.db2.gz RTZCODFXHGAZIE-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639604470 356525916 /nfs/dbraw/zinc/52/59/16/356525916.db2.gz POUVDMXMYSPWRH-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(CCOC(C)C)C[C@H](CC)O1 ZINC000420946043 192275833 /nfs/dbraw/zinc/27/58/33/192275833.db2.gz LMPZJCUPJUPOQI-BETUJISGSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H](NCc1ccc(Cl)s1)C(=O)NC ZINC000449769287 202030552 /nfs/dbraw/zinc/03/05/52/202030552.db2.gz DBZJSWQYCSFYNO-QMMMGPOBSA-N 0 1 246.763 2.016 20 0 BEADMN CCCC[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000578124610 366282590 /nfs/dbraw/zinc/28/25/90/366282590.db2.gz LQIWVOSZDFCJPM-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN Cn1cc(C[N@@H+](C)C2CC2)c(C(C)(C)C)n1 ZINC000179691047 366285397 /nfs/dbraw/zinc/28/53/97/366285397.db2.gz MRUCVTAOMFTGDG-UHFFFAOYSA-N 0 1 221.348 2.312 20 0 BEADMN CN(Cc1cn(C)nc1C(C)(C)C)C1CC1 ZINC000179691047 366285402 /nfs/dbraw/zinc/28/54/02/366285402.db2.gz MRUCVTAOMFTGDG-UHFFFAOYSA-N 0 1 221.348 2.312 20 0 BEADMN CC[C@H](F)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014171 192302196 /nfs/dbraw/zinc/30/21/96/192302196.db2.gz KDTDKMFYELNHNF-NEPJUHHUSA-N 0 1 217.328 2.219 20 0 BEADMN C[C@@H]1CC[N@H+](C2CC(OC(C)(C)C)C2)C[C@H]1O ZINC000336198273 134127293 /nfs/dbraw/zinc/12/72/93/134127293.db2.gz CYJZWMFADVTUPE-IKWCTNDRSA-N 0 1 241.375 2.035 20 0 BEADMN c1ccc(CCC[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421017574 192303396 /nfs/dbraw/zinc/30/33/96/192303396.db2.gz KEFPVIQSETXALC-OAHLLOKOSA-N 0 1 231.339 2.484 20 0 BEADMN COCc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421015926 192303718 /nfs/dbraw/zinc/30/37/18/192303718.db2.gz IQNHMALTCUSVNC-OAHLLOKOSA-N 0 1 247.338 2.198 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cnns1 ZINC000336198259 134127571 /nfs/dbraw/zinc/12/75/71/134127571.db2.gz BVSCIHBJPMESIZ-RKDXNWHRSA-N 0 1 211.334 2.301 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1cnns1 ZINC000336198259 134127572 /nfs/dbraw/zinc/12/75/72/134127572.db2.gz BVSCIHBJPMESIZ-RKDXNWHRSA-N 0 1 211.334 2.301 20 0 BEADMN c1ccc(OCCC[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421018155 192304147 /nfs/dbraw/zinc/30/41/47/192304147.db2.gz KRYWBKZZAJWZHE-HNNXBMFYSA-N 0 1 247.338 2.320 20 0 BEADMN COC(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000421021330 192305300 /nfs/dbraw/zinc/30/53/00/192305300.db2.gz OPDVIHJJZABDEV-CYBMUJFWSA-N 0 1 247.338 2.428 20 0 BEADMN COC(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000421021332 192306327 /nfs/dbraw/zinc/30/63/27/192306327.db2.gz OPDVIHJJZABDEV-ZDUSSCGKSA-N 0 1 247.338 2.428 20 0 BEADMN Fc1ccccc1CCN1CC[C@]12CCOC2 ZINC000421021707 192306773 /nfs/dbraw/zinc/30/67/73/192306773.db2.gz OZIZYAJSQUBSBD-CQSZACIVSA-N 0 1 235.302 2.233 20 0 BEADMN COc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421023064 192306906 /nfs/dbraw/zinc/30/69/06/192306906.db2.gz QSNJWYMGFJPTJP-CQSZACIVSA-N 0 1 233.311 2.060 20 0 BEADMN C[C@@]1(F)CCCN(CC2=CCCOC2)C1 ZINC000336215272 134135919 /nfs/dbraw/zinc/13/59/19/134135919.db2.gz FQMAMUSFADJUOP-GFCCVEGCSA-N 0 1 213.296 2.157 20 0 BEADMN Cc1ccoc1CN(C)Cc1cc[nH]c(=O)c1 ZINC000639653455 356565170 /nfs/dbraw/zinc/56/51/70/356565170.db2.gz AWFLPOCERGTISR-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN C[C@@H]1CN(Cc2nc(CC3CC3)no2)[C@@H](C)[C@H]1C ZINC000639671958 356588405 /nfs/dbraw/zinc/58/84/05/356588405.db2.gz DHPGLPDPVLXWJB-VWYCJHECSA-N 0 1 249.358 2.498 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc(CC2CC2)no1 ZINC000639671957 356588615 /nfs/dbraw/zinc/58/86/15/356588615.db2.gz DHPGLPDPVLXWJB-OUAUKWLOSA-N 0 1 249.358 2.498 20 0 BEADMN C[C@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336219126 134138402 /nfs/dbraw/zinc/13/84/02/134138402.db2.gz BPLVSIZFURUMCL-HZGVNTEJSA-N 0 1 245.244 2.062 20 0 BEADMN C[C@@H]1CCC(C)(C)N1CC(=O)Nc1ccccn1 ZINC000639667662 356574245 /nfs/dbraw/zinc/57/42/45/356574245.db2.gz ILROFWJQPBAMGB-LLVKDONJSA-N 0 1 247.342 2.283 20 0 BEADMN CC(=O)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000639671543 356587273 /nfs/dbraw/zinc/58/72/73/356587273.db2.gz SKDTVIABCRUDEI-JTQLQIEISA-N 0 1 223.291 2.278 20 0 BEADMN CCc1nnc(NC(=O)[C@@H](CC)CC(C)C)[nH]1 ZINC000450133469 202084151 /nfs/dbraw/zinc/08/41/51/202084151.db2.gz GSSDTYWWSQIDLF-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](CC)CC(C)C)n1 ZINC000450133469 202084154 /nfs/dbraw/zinc/08/41/54/202084154.db2.gz GSSDTYWWSQIDLF-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCN1[C@H](C)CN(Cc2cncs2)C[C@@H]1C ZINC000639741469 356633106 /nfs/dbraw/zinc/63/31/06/356633106.db2.gz ARNGWNVOTFCUMQ-PHIMTYICSA-N 0 1 239.388 2.058 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1ccc(Cl)s1 ZINC000450213464 202097502 /nfs/dbraw/zinc/09/75/02/202097502.db2.gz HJRZLROZSSQGHK-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639719501 356620911 /nfs/dbraw/zinc/62/09/11/356620911.db2.gz IBVKWTIGAPFWJJ-ZETCQYMHSA-N 0 1 245.273 2.465 20 0 BEADMN CC[N@@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCCOC1 ZINC000639729417 356623177 /nfs/dbraw/zinc/62/31/77/356623177.db2.gz JIRKLVWENCUHBU-CHWSQXEVSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cn(CC3CC3)nn2)C1 ZINC000450248642 202108976 /nfs/dbraw/zinc/10/89/76/202108976.db2.gz YAVYCWMGLQKUFE-VXGBXAGGSA-N 0 1 248.374 2.166 20 0 BEADMN C[C@H](C1CC1)N(Cc1cnns1)C1CC1 ZINC000450260515 202111901 /nfs/dbraw/zinc/11/19/01/202111901.db2.gz CWLFOAZSUSWBQP-MRVPVSSYSA-N 0 1 223.345 2.301 20 0 BEADMN CC/C=C\CCN1CC[S@](=O)C[C@H](C)C1 ZINC000617897703 356659306 /nfs/dbraw/zinc/65/93/06/356659306.db2.gz XJWNQAYXJLAISN-ZYSUWKAZSA-N 0 1 229.389 2.043 20 0 BEADMN CCCN(CCC)[C@@H](C)c1nccc(N)n1 ZINC000578141082 366321741 /nfs/dbraw/zinc/32/17/41/366321741.db2.gz ZXDDDYZBWLFPOL-JTQLQIEISA-N 0 1 222.336 2.072 20 0 BEADMN C[C@@H](NC[C@@H]1CCSC1)C(C)(F)F ZINC000389463945 356681475 /nfs/dbraw/zinc/68/14/75/356681475.db2.gz GVHWPRFBGAUBHO-SFYZADRCSA-N 0 1 209.305 2.373 20 0 BEADMN Cc1ccc(CNc2ncnc3[nH]cnc32)s1 ZINC000032520268 356697639 /nfs/dbraw/zinc/69/76/39/356697639.db2.gz XMQUVLSKNOPYHE-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cccc(OC)n1 ZINC000353307929 356709941 /nfs/dbraw/zinc/70/99/41/356709941.db2.gz ZUXVWTKCSJPTMH-GFCCVEGCSA-N 0 1 220.316 2.465 20 0 BEADMN CCO[C@@H](C[N@H+]1CCC[C@@H]1c1cn[nH]c1)C1CC1 ZINC000639776943 356718995 /nfs/dbraw/zinc/71/89/95/356718995.db2.gz RERZLVXZRPSEHX-KGLIPLIRSA-N 0 1 249.358 2.362 20 0 BEADMN CCO[C@H](C[N@H+]1CCC[C@@H]1c1cn[nH]c1)C1CC1 ZINC000639776945 356719688 /nfs/dbraw/zinc/71/96/88/356719688.db2.gz RERZLVXZRPSEHX-ZIAGYGMSSA-N 0 1 249.358 2.362 20 0 BEADMN FCCCC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779052 356725803 /nfs/dbraw/zinc/72/58/03/356725803.db2.gz WWNSAZQKZWIWPO-NSHDSACASA-N 0 1 211.284 2.296 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cn(CC2CC2)nn1 ZINC000450433071 202164998 /nfs/dbraw/zinc/16/49/98/202164998.db2.gz JAIBIACEAWQUAV-NWDGAFQWSA-N 0 1 248.374 2.309 20 0 BEADMN c1n[nH]cc1[C@H]1CCCN1Cc1ccccn1 ZINC000639781072 356730011 /nfs/dbraw/zinc/73/00/11/356730011.db2.gz KMMIZMCFSKKVKU-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN CC(C)CN1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000353640582 356715275 /nfs/dbraw/zinc/71/52/75/356715275.db2.gz AQVKBBVVHQBLSA-CYBMUJFWSA-N 0 1 240.391 2.079 20 0 BEADMN CCc1nnc(C[N@H+](C)C[C@H]2CC=CCC2)[nH]1 ZINC000355043240 356748576 /nfs/dbraw/zinc/74/85/76/356748576.db2.gz BGDCEVWGEJKHPV-NSHDSACASA-N 0 1 234.347 2.155 20 0 BEADMN CN(CCc1cncs1)Cc1ccns1 ZINC000639810773 356789066 /nfs/dbraw/zinc/78/90/66/356789066.db2.gz ZUKKVIVIISZGKY-UHFFFAOYSA-N 0 1 239.369 2.274 20 0 BEADMN C=CCC[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000389684177 356800591 /nfs/dbraw/zinc/80/05/91/356800591.db2.gz FZEWYXWKXTWFKT-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN CO[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC000639836501 356822041 /nfs/dbraw/zinc/82/20/41/356822041.db2.gz HLGHBACMRSNTTF-ZDUSSCGKSA-N 0 1 227.348 2.262 20 0 BEADMN C/C=C\CNCc1ccc([N+](=O)[O-])cc1F ZINC000384863341 356782929 /nfs/dbraw/zinc/78/29/29/356782929.db2.gz NIJJOORMIRRQIZ-IHWYPQMZSA-N 0 1 224.235 2.400 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356048357 356786907 /nfs/dbraw/zinc/78/69/07/356786907.db2.gz CRZDESYYMOISTD-AAEUAGOBSA-N 0 1 239.359 2.474 20 0 BEADMN CC1(C)CN(C[C@@H](O)C(F)(F)F)[C@@H]1C1CC1 ZINC000357444305 356832995 /nfs/dbraw/zinc/83/29/95/356832995.db2.gz YITAVTSNZWPFRD-RKDXNWHRSA-N 0 1 237.265 2.030 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1cnn(C)c1 ZINC000358512110 356870374 /nfs/dbraw/zinc/87/03/74/356870374.db2.gz UJXJHJNZEOVEKJ-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN Cc1ccc(C(C)(C)NCc2cncnc2)cn1 ZINC000353186095 538737097 /nfs/dbraw/zinc/73/70/97/538737097.db2.gz PLRHBKVELLNLMX-UHFFFAOYSA-N 0 1 242.326 2.205 20 0 BEADMN c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054346450 363569243 /nfs/dbraw/zinc/56/92/43/363569243.db2.gz NAZRRTFSFJITSR-UONOGXRCSA-N 0 1 217.312 2.440 20 0 BEADMN CC1(C)CCC[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000281821745 538709584 /nfs/dbraw/zinc/70/95/84/538709584.db2.gz LGVMHKRQFIMVIA-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000155460368 538716489 /nfs/dbraw/zinc/71/64/89/538716489.db2.gz PVUFXXMYZJOXNH-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@H]2CCC[C@H]21 ZINC000361247686 356921560 /nfs/dbraw/zinc/92/15/60/356921560.db2.gz YQNRAZYPRDHYFY-MJBXVCDLSA-N 0 1 241.375 2.037 20 0 BEADMN FC1(CNc2ccc3nc[nH]c3c2)CC1 ZINC000582291293 357024705 /nfs/dbraw/zinc/02/47/05/357024705.db2.gz AOLORGZXBBYEDF-UHFFFAOYSA-N 0 1 205.236 2.477 20 0 BEADMN CC[C@@H](CN1CCC[C@H]1c1ncccn1)OC ZINC000639871657 357027930 /nfs/dbraw/zinc/02/79/30/357027930.db2.gz PQMZLMNCXHNRHU-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN CCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000054460742 363572225 /nfs/dbraw/zinc/57/22/25/363572225.db2.gz BIADGJJIGBTCSC-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CC(C)CCC(=O)N1CCN(CC(C)C)CC1 ZINC000054461159 363572431 /nfs/dbraw/zinc/57/24/31/363572431.db2.gz HAQIFTGSZBHJOA-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)(C)[C@H](O)CN1CCC[C@H]1c1ncccn1 ZINC000639872801 357045442 /nfs/dbraw/zinc/04/54/42/357045442.db2.gz RISDBZTXQGPTAL-NWDGAFQWSA-N 0 1 249.358 2.021 20 0 BEADMN Cc1ncc(CNCc2cc(C)nc(C)c2)n1C ZINC000582312273 357052435 /nfs/dbraw/zinc/05/24/35/357052435.db2.gz RAWOMDDIDGFEJK-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN c1cnc([C@H]2CCCN2CC[C@@H]2CCCO2)nc1 ZINC000639874157 357052727 /nfs/dbraw/zinc/05/27/27/357052727.db2.gz WROHJDRTCPXOEF-QWHCGFSZSA-N 0 1 247.342 2.183 20 0 BEADMN Cc1nc(CNCCCOCC2CC2)cs1 ZINC000020253398 357002880 /nfs/dbraw/zinc/00/28/80/357002880.db2.gz ZBUJWVPSAOCZHO-UHFFFAOYSA-N 0 1 240.372 2.358 20 0 BEADMN COC(=O)[C@@H](C1CC1)N(C)CCC(C)(C)C ZINC000399683457 357011153 /nfs/dbraw/zinc/01/11/53/357011153.db2.gz CAODVRBFMBKMSQ-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN COc1ccc(CN2CCCC2)c(F)c1 ZINC000389670033 357012134 /nfs/dbraw/zinc/01/21/34/357012134.db2.gz UHQQPALFYGNPOH-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN CCC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000054460761 363571891 /nfs/dbraw/zinc/57/18/91/363571891.db2.gz TXRQTCGCGSVDOT-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCOCCCCNc1nc(C(C)C)ns1 ZINC000390630140 357108301 /nfs/dbraw/zinc/10/83/01/357108301.db2.gz KYPJRIHPUDAJKT-UHFFFAOYSA-N 0 1 243.376 2.312 20 0 BEADMN CC[C@@H](C)[C@H](C)NCc1nnc(C2CC2)o1 ZINC000390668614 357109952 /nfs/dbraw/zinc/10/99/52/357109952.db2.gz UXKQFYZJNZHGJY-BDAKNGLRSA-N 0 1 223.320 2.471 20 0 BEADMN CC(C)CN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000302221319 357067550 /nfs/dbraw/zinc/06/75/50/357067550.db2.gz JGJFFDMMEUDGTD-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccccc1F ZINC000389989988 357078681 /nfs/dbraw/zinc/07/86/81/357078681.db2.gz NVCIAVGOIZFCOU-NWDGAFQWSA-N 0 1 209.264 2.093 20 0 BEADMN C[N@@H+](CCCCF)C1(C(=O)[O-])CCCCC1 ZINC000390465213 357094212 /nfs/dbraw/zinc/09/42/12/357094212.db2.gz FJFKWVFPGACSDP-UHFFFAOYSA-N 0 1 231.311 2.455 20 0 BEADMN CN(C[C@@H]1CC=CCC1)C(=O)CCc1cnc[nH]1 ZINC000355928500 538804815 /nfs/dbraw/zinc/80/48/15/538804815.db2.gz YAUGQJRAUUNZAY-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN Fc1cc(F)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000628409798 357207927 /nfs/dbraw/zinc/20/79/27/357207927.db2.gz ZPEHHLIBBSTQHV-AOOOYVTPSA-N 0 1 209.239 2.417 20 0 BEADMN CCc1nc(NC(=O)c2ccc(C)c(F)c2)n[nH]1 ZINC000123118553 357212026 /nfs/dbraw/zinc/21/20/26/357212026.db2.gz OVRLQSSNDJUGHA-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(C)c(F)c2)n1 ZINC000123118553 357212030 /nfs/dbraw/zinc/21/20/30/357212030.db2.gz OVRLQSSNDJUGHA-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CC/C=C/CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000583698466 357272763 /nfs/dbraw/zinc/27/27/63/357272763.db2.gz BEANTJCUVCJOLV-PGLGOXFNSA-N 0 1 211.305 2.139 20 0 BEADMN CC/C=C\CC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000583698464 357272783 /nfs/dbraw/zinc/27/27/83/357272783.db2.gz BEANTJCUVCJOLV-BYCRGOAPSA-N 0 1 211.305 2.139 20 0 BEADMN CCC[N@@H+](Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000393267007 357280738 /nfs/dbraw/zinc/28/07/38/357280738.db2.gz XHJVYEAXCDFQQV-UHFFFAOYSA-N 0 1 240.328 2.216 20 0 BEADMN CCc1nc(CN(CCC(C)C)C2CC2)n[nH]1 ZINC000157640617 538833648 /nfs/dbraw/zinc/83/36/48/538833648.db2.gz LHJGFAPGJCLPIA-UHFFFAOYSA-N 0 1 236.363 2.378 20 0 BEADMN CC[N@@H+](CC1CC1)[C@@H](CC(C)C)C(=O)[O-] ZINC000582612732 357351991 /nfs/dbraw/zinc/35/19/91/357351991.db2.gz XBAXTBIIMGZDML-NSHDSACASA-N 0 1 213.321 2.218 20 0 BEADMN CCN(C(=O)c1cc(C)[nH]n1)[C@@H](C)C(C)C ZINC000582633560 357355947 /nfs/dbraw/zinc/35/59/47/357355947.db2.gz VJJDUIVKDUWZOF-JTQLQIEISA-N 0 1 223.320 2.225 20 0 BEADMN CCOC(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000399564730 357406741 /nfs/dbraw/zinc/40/67/41/357406741.db2.gz HWWKJFFIKSNMQY-JTQLQIEISA-N 0 1 215.337 2.164 20 0 BEADMN CCCC[N@@H+](CC)[C@H](CCC)C(=O)[O-] ZINC000216637257 357446732 /nfs/dbraw/zinc/44/67/32/357446732.db2.gz AYABSVJOKHLIKQ-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397050555 357491984 /nfs/dbraw/zinc/49/19/84/357491984.db2.gz XUIKSGYHTNRTFT-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1ccncc1C ZINC000583142383 357492696 /nfs/dbraw/zinc/49/26/96/357492696.db2.gz SDDVYTQXIRASCE-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1COCCN1C[C@H](O)CC1CCCC1 ZINC000188637963 357569416 /nfs/dbraw/zinc/56/94/16/357569416.db2.gz GTMXNDKBKOJSCD-UONOGXRCSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CN(C[C@H](O)CC2CCCC2)[C@H](C)CO1 ZINC000188637382 357569492 /nfs/dbraw/zinc/56/94/92/357569492.db2.gz YAZZKUXLDKIILB-YRGRVCCFSA-N 0 1 241.375 2.037 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc(C2CC2)s1 ZINC000583196130 357516618 /nfs/dbraw/zinc/51/66/18/357516618.db2.gz BHGGSCPXUYMGMK-VIFPVBQESA-N 0 1 240.372 2.487 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@]12C[C@H]1CCC2 ZINC000583197952 357517016 /nfs/dbraw/zinc/51/70/16/357517016.db2.gz RTFUADQWJFDLMA-NOZJJQNGSA-N 0 1 246.314 2.201 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@]12C[C@H]1CCC2 ZINC000583197952 357517020 /nfs/dbraw/zinc/51/70/20/357517020.db2.gz RTFUADQWJFDLMA-NOZJJQNGSA-N 0 1 246.314 2.201 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC000063101325 357526812 /nfs/dbraw/zinc/52/68/12/357526812.db2.gz QMDWPFRCRNOCAF-OCAPTIKFSA-N 0 1 221.222 2.135 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)n[nH]1 ZINC000073193548 325192518 /nfs/dbraw/zinc/19/25/18/325192518.db2.gz RSXNRDAXKIJSGH-NSHDSACASA-N 0 1 235.331 2.226 20 0 BEADMN CC(C)CSCCCN1CCOC[C@H]1C ZINC000131952516 325192645 /nfs/dbraw/zinc/19/26/45/325192645.db2.gz QIXQYNCKYWZFGL-GFCCVEGCSA-N 0 1 231.405 2.486 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000230691173 357550949 /nfs/dbraw/zinc/55/09/49/357550949.db2.gz PECJCUQAPBXBOD-RKDXNWHRSA-N 0 1 231.303 2.201 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)C[C@H](C)O1 ZINC000188549186 357560354 /nfs/dbraw/zinc/56/03/54/357560354.db2.gz JGOGWBDQCDOMJU-RVMXOQNASA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@H](C)CNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000230800216 357564956 /nfs/dbraw/zinc/56/49/56/357564956.db2.gz NMLLNVRFQHLIGJ-GXFFZTMASA-N 0 1 234.343 2.157 20 0 BEADMN CCCNC(=O)CN[C@H](CCC)c1ccccn1 ZINC000158491353 538863026 /nfs/dbraw/zinc/86/30/26/538863026.db2.gz QKJIRUCHOVPAET-GFCCVEGCSA-N 0 1 249.358 2.039 20 0 BEADMN C(C[C@H]1CCCO1)Sc1nc(C2CC2)n[nH]1 ZINC000188907936 357589727 /nfs/dbraw/zinc/58/97/27/357589727.db2.gz XQRGURODDYCDGE-SECBINFHSA-N 0 1 239.344 2.343 20 0 BEADMN C(C[C@H]1CCCO1)Sc1n[nH]c(C2CC2)n1 ZINC000188907936 357589728 /nfs/dbraw/zinc/58/97/28/357589728.db2.gz XQRGURODDYCDGE-SECBINFHSA-N 0 1 239.344 2.343 20 0 BEADMN C[C@@H]1CN(C(=O)[C@H]2CCCC(C)(C)C2)CCN1 ZINC000189016330 357600347 /nfs/dbraw/zinc/60/03/47/357600347.db2.gz HBKBKMVHHLJQJU-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1ccccc1C[N@@H+](C)C[C@H](C)O ZINC000189035457 357600960 /nfs/dbraw/zinc/60/09/60/357600960.db2.gz BISWSAFTXVXBHL-NSHDSACASA-N 0 1 207.317 2.062 20 0 BEADMN O=C(C[C@@H]1C=CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000189146961 357606782 /nfs/dbraw/zinc/60/67/82/357606782.db2.gz BUFJLRMBVHKCNZ-ZIAGYGMSSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H](C)c1cnccn1 ZINC000231791467 357630073 /nfs/dbraw/zinc/63/00/73/357630073.db2.gz YQMNGNQQPTVYHT-HTQZYQBOSA-N 0 1 233.237 2.468 20 0 BEADMN C[C@H]1CCN(c2ccnc3ccccc32)[C@@H]1CO ZINC000189715578 357658091 /nfs/dbraw/zinc/65/80/91/357658091.db2.gz BDFIZCNIIOVKOD-XHDPSFHLSA-N 0 1 242.322 2.442 20 0 BEADMN CCc1nnc(SC[C@@H]2CC[C@H](C)O2)[nH]1 ZINC000189999325 357679886 /nfs/dbraw/zinc/67/98/86/357679886.db2.gz HHRXHWGPDQFXNM-YUMQZZPRSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CC[C@H](C)O2)n1 ZINC000189999325 357679889 /nfs/dbraw/zinc/67/98/89/357679889.db2.gz HHRXHWGPDQFXNM-YUMQZZPRSA-N 0 1 227.333 2.027 20 0 BEADMN C[C@@H]1CCN(Cc2nc3ccccc3o2)[C@@H]1CO ZINC000189734180 357666148 /nfs/dbraw/zinc/66/61/48/357666148.db2.gz XIKGCXNUZZQQKO-ZYHUDNBSSA-N 0 1 246.310 2.031 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NCc2ncn(C)n2)C1 ZINC000232742816 357680882 /nfs/dbraw/zinc/68/08/82/357680882.db2.gz MFYVUYCTOKTTAS-RYUDHWBXSA-N 0 1 236.363 2.120 20 0 BEADMN c1cnn([C@@H]2CCCC[C@@H]2NCc2cocn2)c1 ZINC000191106413 357751064 /nfs/dbraw/zinc/75/10/64/357751064.db2.gz BTVKQMZBDLRJCH-QWHCGFSZSA-N 0 1 246.314 2.145 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccco1 ZINC000583268234 357763133 /nfs/dbraw/zinc/76/31/33/357763133.db2.gz MLIOJUOEWYBEEU-NXEZZACHSA-N 0 1 223.272 2.280 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccco1 ZINC000583268240 357763367 /nfs/dbraw/zinc/76/33/67/357763367.db2.gz MLIOJUOEWYBEEU-ZJUUUORDSA-N 0 1 223.272 2.280 20 0 BEADMN CCS[C@@H]1CCC[C@@H]1NCc1ncccn1 ZINC000233993964 357765078 /nfs/dbraw/zinc/76/50/78/357765078.db2.gz DDSBTKBWDPTUHJ-WDEREUQCSA-N 0 1 237.372 2.240 20 0 BEADMN CCN(Cc1cn(C(C)(C)C)nn1)CC1CC1 ZINC000191357626 357766210 /nfs/dbraw/zinc/76/62/10/357766210.db2.gz JNSUNLLDKPSHPC-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN CC(C)CC[C@H](C)NCc1nc(N(C)C)no1 ZINC000191898789 357803276 /nfs/dbraw/zinc/80/32/76/357803276.db2.gz UIVANEXFZLTQBH-JTQLQIEISA-N 0 1 240.351 2.050 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N(CC)CC ZINC000191915022 357804087 /nfs/dbraw/zinc/80/40/87/357804087.db2.gz RTVVNDQTIVBNKX-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1CCC[C@@H](C)CC1 ZINC000191968344 357807880 /nfs/dbraw/zinc/80/78/80/357807880.db2.gz MWONFCHPTGVXDM-MNOVXSKESA-N 0 1 249.362 2.191 20 0 BEADMN COc1ccc(Cl)c(CN(C)C[C@H](C)O)c1 ZINC000192040500 357814674 /nfs/dbraw/zinc/81/46/74/357814674.db2.gz SWTQNXCVQMWJPB-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN CN(Cc1ncccn1)C(C1CC1)C1CC1 ZINC000191974279 357818979 /nfs/dbraw/zinc/81/89/79/357818979.db2.gz MUDBQOXTBITNQR-UHFFFAOYSA-N 0 1 217.316 2.097 20 0 BEADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1cscn1 ZINC000398171792 357857507 /nfs/dbraw/zinc/85/75/07/357857507.db2.gz PCCYCHHDLILQGX-BBBLOLIVSA-N 0 1 226.345 2.361 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639927342 357860835 /nfs/dbraw/zinc/86/08/35/357860835.db2.gz FDHGLRNTJMQQDA-SSDOTTSWSA-N 0 1 243.257 2.219 20 0 BEADMN CCCCN([C@@H](C)C(=O)OC)C1CCC1 ZINC000192379762 357830841 /nfs/dbraw/zinc/83/08/41/357830841.db2.gz PZEQGJPYLRHHQT-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CCCN(CC(=O)N(C)C)Cc1ccc(C)cc1 ZINC000053131595 357832909 /nfs/dbraw/zinc/83/29/09/357832909.db2.gz NGFIXRDPJXOMTI-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639927343 357861373 /nfs/dbraw/zinc/86/13/73/357861373.db2.gz FDHGLRNTJMQQDA-ZETCQYMHSA-N 0 1 243.257 2.219 20 0 BEADMN CC(C)CCOCCN1CCOCC1(C)C ZINC000064517736 357849965 /nfs/dbraw/zinc/84/99/65/357849965.db2.gz OUZOQTPDSBRUGX-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN C[C@H]1CCC[N@@H+](CCc2ccccc2)[C@@H]1C(=O)[O-] ZINC000235656042 357927328 /nfs/dbraw/zinc/92/73/28/357927328.db2.gz APQCBGYEMHLSPO-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])o1 ZINC000235665865 357927464 /nfs/dbraw/zinc/92/74/64/357927464.db2.gz OAUUGUPAQQOGQS-JOYOIKCWSA-N 0 1 237.299 2.273 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@](C)(CC)C1 ZINC000399358421 357904263 /nfs/dbraw/zinc/90/42/63/357904263.db2.gz FEMQVCOLUACBIR-JQWIXIFHSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[N@@H+](Cc1nc(C(=O)[O-])cs1)C1CC1 ZINC000583327173 357906409 /nfs/dbraw/zinc/90/64/09/357906409.db2.gz CRNZEHQVAWKVFY-UHFFFAOYSA-N 0 1 240.328 2.214 20 0 BEADMN CCc1cccc(CN2CC(C)(CO)C2)c1 ZINC000583816926 357961390 /nfs/dbraw/zinc/96/13/90/357961390.db2.gz PUSGBPGGFPZJHE-UHFFFAOYSA-N 0 1 219.328 2.063 20 0 BEADMN C[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000078614388 491117462 /nfs/dbraw/zinc/11/74/62/491117462.db2.gz AUUBZRALOIKHDL-NSHDSACASA-N 0 1 222.307 2.134 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])CCS1 ZINC000564305729 325295146 /nfs/dbraw/zinc/29/51/46/325295146.db2.gz YSMYDUIZAFSSFU-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])CCS1 ZINC000564305729 325295147 /nfs/dbraw/zinc/29/51/47/325295147.db2.gz YSMYDUIZAFSSFU-SNVBAGLBSA-N 0 1 238.356 2.115 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)C1 ZINC000219107041 357979362 /nfs/dbraw/zinc/97/93/62/357979362.db2.gz FKSVZXVOVDTFGO-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC)C1 ZINC000219107105 357979419 /nfs/dbraw/zinc/97/94/19/357979419.db2.gz FKSVZXVOVDTFGO-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000035759476 357998989 /nfs/dbraw/zinc/99/89/89/357998989.db2.gz BRGAMODFNIGPSF-NSHDSACASA-N 0 1 221.300 2.148 20 0 BEADMN CCC[N@@H+](Cc1occc1C(=O)[O-])C1CC1 ZINC000035433034 357992014 /nfs/dbraw/zinc/99/20/14/357992014.db2.gz JOLMWUZMYHGAFS-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1n[nH]cc1CN(C)C[C@@H]1CCC(C)(C)O1 ZINC000639970334 358023130 /nfs/dbraw/zinc/02/31/30/358023130.db2.gz DIOOSEJFLXFRGX-LBPRGKRZSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1cc(C(=O)Nc2nnc(C)[nH]2)c(C)s1 ZINC000103254363 358032884 /nfs/dbraw/zinc/03/28/84/358032884.db2.gz LCYMJMQUJPMHOD-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc(C)sc2C)n1 ZINC000103254363 358032885 /nfs/dbraw/zinc/03/28/85/358032885.db2.gz LCYMJMQUJPMHOD-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])C1CCCC1 ZINC000037092944 358064667 /nfs/dbraw/zinc/06/46/67/358064667.db2.gz OJRHFXCIHHQXDZ-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CN(C)CC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000170761033 134253681 /nfs/dbraw/zinc/25/36/81/134253681.db2.gz AMZSVLYXJWINFW-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000170915986 134255316 /nfs/dbraw/zinc/25/53/16/134255316.db2.gz ATWSIZSYNSYSRK-XQQFMLRXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C)(F)CC1 ZINC000640071076 358154274 /nfs/dbraw/zinc/15/42/74/358154274.db2.gz WISOOVLYUYBKHI-GHMZBOCLSA-N 0 1 244.354 2.114 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(C)(F)CC1 ZINC000640071077 358154480 /nfs/dbraw/zinc/15/44/80/358154480.db2.gz WISOOVLYUYBKHI-MNOVXSKESA-N 0 1 244.354 2.114 20 0 BEADMN COc1ccc(CN2CCC(C)(F)CC2)nc1 ZINC000640071371 358161248 /nfs/dbraw/zinc/16/12/48/358161248.db2.gz LDRUNGZDRUPEBG-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@@H]1CCN(Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC000450648825 202224547 /nfs/dbraw/zinc/22/45/47/202224547.db2.gz YQQFQVYJHFOMEP-VXGBXAGGSA-N 0 1 248.374 2.166 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000104616949 358248327 /nfs/dbraw/zinc/24/83/27/358248327.db2.gz HOYPAZAIEMLVIU-MWLCHTKSSA-N 0 1 247.342 2.207 20 0 BEADMN Cc1cc([C@@H](C)NCc2c[nH]nn2)ccc1F ZINC000450677149 202232395 /nfs/dbraw/zinc/23/23/95/202232395.db2.gz GBIZSTBINGORIR-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000040718637 358246024 /nfs/dbraw/zinc/24/60/24/358246024.db2.gz GMDJTGMIXOWZQH-PWSUYJOCSA-N 0 1 219.284 2.154 20 0 BEADMN CCC(=O)CCCN1CC[C@](C)(F)C1 ZINC000450662318 202230839 /nfs/dbraw/zinc/23/08/39/202230839.db2.gz WLSARJKUJMBTRY-NSHDSACASA-N 0 1 201.285 2.180 20 0 BEADMN CCC[C@@H](O)CN[C@@H](CC)c1nccs1 ZINC000450728093 202249015 /nfs/dbraw/zinc/24/90/15/202249015.db2.gz NZQGYVJADMZUBY-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN Cc1ccc(CCN2CCO[C@H](C)C2)cc1 ZINC000172414767 134265798 /nfs/dbraw/zinc/26/57/98/134265798.db2.gz ZRGLBUIHEYTHCT-CYBMUJFWSA-N 0 1 219.328 2.258 20 0 BEADMN CCCC[C@@H]([NH2+]Cc1cnn[n-]1)C1CCC1 ZINC000450730295 202249761 /nfs/dbraw/zinc/24/97/61/202249761.db2.gz WAGCPBIVTGVUCF-GFCCVEGCSA-N 0 1 222.336 2.253 20 0 BEADMN CCC[C@@H](O)CN[C@H](CC)c1nccs1 ZINC000450728088 202249969 /nfs/dbraw/zinc/24/99/69/202249969.db2.gz NZQGYVJADMZUBY-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@@H](O)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000450746428 202253508 /nfs/dbraw/zinc/25/35/08/202253508.db2.gz RJXAELAPRADNET-TZMCWYRMSA-N 0 1 241.375 2.038 20 0 BEADMN CCN(CCC1CC1)Cc1cn(CC2CC2)nn1 ZINC000450748963 202253520 /nfs/dbraw/zinc/25/35/20/202253520.db2.gz WANWMGOKEUQIJZ-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CSCCNC(=O)c1ccc(Cl)c(O)c1 ZINC001641337314 1172243186 /nfs/dbraw/zinc/24/31/86/1172243186.db2.gz LBUMXKGSHLKZQK-UHFFFAOYSA-N 0 1 245.731 2.138 20 0 BEADMN CCc1nc(S[C@@H](C)c2csnn2)n[nH]1 ZINC000450767154 202260309 /nfs/dbraw/zinc/26/03/09/202260309.db2.gz CGRPDZWKAJKYGT-YFKPBYRVSA-N 0 1 241.345 2.072 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)c2csnn2)n1 ZINC000450767154 202260313 /nfs/dbraw/zinc/26/03/13/202260313.db2.gz CGRPDZWKAJKYGT-YFKPBYRVSA-N 0 1 241.345 2.072 20 0 BEADMN CCc1nc(S[C@H](C)c2csnn2)n[nH]1 ZINC000450767152 202261546 /nfs/dbraw/zinc/26/15/46/202261546.db2.gz CGRPDZWKAJKYGT-RXMQYKEDSA-N 0 1 241.345 2.072 20 0 BEADMN CCc1n[nH]c(S[C@H](C)c2csnn2)n1 ZINC000450767152 202261550 /nfs/dbraw/zinc/26/15/50/202261550.db2.gz CGRPDZWKAJKYGT-RXMQYKEDSA-N 0 1 241.345 2.072 20 0 BEADMN C=C=CCNC(=O)c1ccc(O)c(Cl)c1 ZINC001641382027 1172244302 /nfs/dbraw/zinc/24/43/02/1172244302.db2.gz FWWXNHACJINRKJ-UHFFFAOYSA-N 0 1 223.659 2.117 20 0 BEADMN C[C@H]1CSCCN1Cc1cccc2nccn21 ZINC000180246416 366402976 /nfs/dbraw/zinc/40/29/76/366402976.db2.gz IROUBNGMUNGJPM-NSHDSACASA-N 0 1 247.367 2.272 20 0 BEADMN C[C@@H]1CSCCN1Cc1cccc2nccn21 ZINC000180246397 366403156 /nfs/dbraw/zinc/40/31/56/366403156.db2.gz IROUBNGMUNGJPM-LLVKDONJSA-N 0 1 247.367 2.272 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000226497422 358340343 /nfs/dbraw/zinc/34/03/43/358340343.db2.gz ZAINIKRTYHIYAP-ZIAGYGMSSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000229294940 358374662 /nfs/dbraw/zinc/37/46/62/358374662.db2.gz CYNPPSLGCWAYBW-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])n1 ZINC000229299430 358376027 /nfs/dbraw/zinc/37/60/27/358376027.db2.gz BKFDLBWODAJOCE-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H](O)C(F)F)c(C)o1 ZINC000219281440 134277093 /nfs/dbraw/zinc/27/70/93/134277093.db2.gz WFUZJSUHCIEXRM-GMSGAONNSA-N 0 1 233.258 2.173 20 0 BEADMN CC(C)CC[C@H](NCc1ncn(C)n1)C1CC1 ZINC000310244269 358443298 /nfs/dbraw/zinc/44/32/98/358443298.db2.gz UZTNSWCGIPCDBH-LBPRGKRZSA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299897852 358420468 /nfs/dbraw/zinc/42/04/68/358420468.db2.gz SOTMGOUWNGMVEY-SRVKXCTJSA-N 0 1 223.316 2.138 20 0 BEADMN CO[C@]1(C)C[C@@H]([NH2+]Cc2cn[nH]c2C)C1(C)C ZINC000174135420 134279139 /nfs/dbraw/zinc/27/91/39/134279139.db2.gz WFCWKMZYSHNFQZ-DGCLKSJQSA-N 0 1 237.347 2.011 20 0 BEADMN OCCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640154319 358437923 /nfs/dbraw/zinc/43/79/23/358437923.db2.gz YUZNCJHQTLLVGQ-GFCCVEGCSA-N 0 1 229.270 2.198 20 0 BEADMN C[C@H](CO)CN[C@H](CF)c1ccc(F)cc1 ZINC000640155010 358438303 /nfs/dbraw/zinc/43/83/03/358438303.db2.gz OUKKHOICRHKPPT-JOYOIKCWSA-N 0 1 229.270 2.054 20 0 BEADMN C[C@H](NC[C@@H](O)C(C)(C)C)c1cscn1 ZINC000127854750 491132821 /nfs/dbraw/zinc/13/28/21/491132821.db2.gz LEQMGCPUTFJMBE-WCBMZHEXSA-N 0 1 228.361 2.201 20 0 BEADMN c1cc(CN2CCC3(CCCC3)C2)no1 ZINC000174270298 134279781 /nfs/dbraw/zinc/27/97/81/134279781.db2.gz XVUBTYSCCNNINV-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1ccnc(CN)c1 ZINC000130398766 358623201 /nfs/dbraw/zinc/62/32/01/358623201.db2.gz RFDUAKDEOMJQTP-LLVKDONJSA-N 0 1 249.358 2.049 20 0 BEADMN C[C@H](O)CN(C)Cc1cnc(C2CCC2)s1 ZINC000130788674 358644507 /nfs/dbraw/zinc/64/45/07/358644507.db2.gz QUECRSYCOXZNAH-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1cccs1 ZINC000129721065 358595154 /nfs/dbraw/zinc/59/51/54/358595154.db2.gz XTNVPJYMLCKZAZ-SNVBAGLBSA-N 0 1 236.344 2.118 20 0 BEADMN CCNC(=O)[C@@H](C)NCc1coc2ccccc12 ZINC000130945115 358654707 /nfs/dbraw/zinc/65/47/07/358654707.db2.gz SYYPOIORISEEPO-SNVBAGLBSA-N 0 1 246.310 2.047 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1nc2ccccc2n1C ZINC000131303386 358670408 /nfs/dbraw/zinc/67/04/08/358670408.db2.gz PUNHNLLSOXANRN-QWRGUYRKSA-N 0 1 245.326 2.013 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1cccc(F)c1F ZINC000131705347 358690859 /nfs/dbraw/zinc/69/08/59/358690859.db2.gz HCCSOLQTROGQAV-IUCAKERBSA-N 0 1 227.254 2.404 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)C(=O)c1ccn[nH]1 ZINC000049653542 358696859 /nfs/dbraw/zinc/69/68/59/358696859.db2.gz IXYACBMQCDXMLP-VIFPVBQESA-N 0 1 247.273 2.382 20 0 BEADMN CCOc1cccc(CN2CCCCC2)n1 ZINC000132162512 358709749 /nfs/dbraw/zinc/70/97/49/358709749.db2.gz GXSAFIFXOAEWKX-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN Cc1ccc2nc(NC(=O)C3CSC3)[nH]c2c1 ZINC000633181499 358738474 /nfs/dbraw/zinc/73/84/74/358738474.db2.gz RYZNCKOKTZDGCP-UHFFFAOYSA-N 0 1 247.323 2.173 20 0 BEADMN CC[C@H](C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000054473279 358863857 /nfs/dbraw/zinc/86/38/57/358863857.db2.gz RRDHNHGQOUEMDK-FZMZJTMJSA-N 0 1 234.343 2.023 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000054473275 358864295 /nfs/dbraw/zinc/86/42/95/358864295.db2.gz RRDHNHGQOUEMDK-RISCZKNCSA-N 0 1 234.343 2.023 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1Cc1ncnn1C ZINC000135340162 358832408 /nfs/dbraw/zinc/83/24/08/358832408.db2.gz CJIZMAPLEPIXJK-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)N(Cc1cn(C(C)C)nn1)CC1CC1 ZINC000578282282 366474315 /nfs/dbraw/zinc/47/43/15/366474315.db2.gz ZILWSPBRAWTOMA-UHFFFAOYSA-N 0 1 236.363 2.479 20 0 BEADMN CCc1noc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000578300345 366477312 /nfs/dbraw/zinc/47/73/12/366477312.db2.gz QODVEFBUOPHRSP-ZNSHCXBVSA-N 0 1 235.331 2.471 20 0 BEADMN CCCn1ncnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000578307519 366478310 /nfs/dbraw/zinc/47/83/10/366478310.db2.gz KJFRWEBNQFFFQS-QWHCGFSZSA-N 0 1 248.374 2.453 20 0 BEADMN FCCCc1noc(C23CCCN2CCC3)n1 ZINC000351281914 366487726 /nfs/dbraw/zinc/48/77/26/366487726.db2.gz UCRQKGTXBTYXFZ-UHFFFAOYSA-N 0 1 239.294 2.057 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)CN1CCCC1 ZINC000058874070 358914784 /nfs/dbraw/zinc/91/47/84/358914784.db2.gz RYXSEWNNLMTPKV-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C[N@@H+](CCc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000086441137 358975348 /nfs/dbraw/zinc/97/53/48/358975348.db2.gz YDOXJEHVZUYGLC-LLVKDONJSA-N 0 1 239.340 2.086 20 0 BEADMN C(N[C@@H]1CCSC1)c1nc2c(s1)CCC2 ZINC000308818449 491138430 /nfs/dbraw/zinc/13/84/30/491138430.db2.gz BEPRBKDAKQPAIK-MRVPVSSYSA-N 0 1 240.397 2.227 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@]2(CC=CCC2)C1 ZINC000246439315 359085819 /nfs/dbraw/zinc/08/58/19/359085819.db2.gz WNPNLEBRBNHAOT-GXTWGEPZSA-N 0 1 235.327 2.124 20 0 BEADMN C[C@@H]1CN(Cc2ccno2)C[C@H](C)S1 ZINC000072770290 359090199 /nfs/dbraw/zinc/09/01/99/359090199.db2.gz RQMIQZLEJBKLJE-DTORHVGOSA-N 0 1 212.318 2.000 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1nccn1C ZINC000070445533 359055713 /nfs/dbraw/zinc/05/57/13/359055713.db2.gz DVMHPVBHDXRRIA-LLVKDONJSA-N 0 1 237.347 2.030 20 0 BEADMN Cn1cccc1C(=O)CN(CC1CC1)CC1CC1 ZINC000070505885 359058385 /nfs/dbraw/zinc/05/83/85/359058385.db2.gz TZFYWJSTPLLBQI-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CN(C)c1ccccc1CN1CCOC(C)(C)C1 ZINC000075589080 359178764 /nfs/dbraw/zinc/17/87/64/359178764.db2.gz HMDHORSGDJPVKJ-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000246651246 359154496 /nfs/dbraw/zinc/15/44/96/359154496.db2.gz BYAAEJILIVNOSE-GXTWGEPZSA-N 0 1 237.343 2.370 20 0 BEADMN CCC[C@]1(C)CCCN([C@H](C)C(=O)OC)C1 ZINC000247534552 359231780 /nfs/dbraw/zinc/23/17/80/359231780.db2.gz OONNUUZYVNOFNX-DGCLKSJQSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2)C[C@@H](C)O1 ZINC000247588710 359236420 /nfs/dbraw/zinc/23/64/20/359236420.db2.gz MSCXVQPAQLAMPG-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN COC(=O)CC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247351061 359215942 /nfs/dbraw/zinc/21/59/42/359215942.db2.gz PDBIWPGPTFFELF-BXUZGUMPSA-N 0 1 233.311 2.243 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1nccc(N)n1 ZINC000290030103 359295524 /nfs/dbraw/zinc/29/55/24/359295524.db2.gz VTDVIERHRKQWOD-SNVBAGLBSA-N 0 1 222.336 2.069 20 0 BEADMN CCCC[C@H](C)N(C)Cc1nccc(N)n1 ZINC000290030101 359295547 /nfs/dbraw/zinc/29/55/47/359295547.db2.gz VTDVIERHRKQWOD-JTQLQIEISA-N 0 1 222.336 2.069 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCCC[C@H]1C ZINC000248297972 359261828 /nfs/dbraw/zinc/26/18/28/359261828.db2.gz YPVOQQRYTLCMCK-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@@H]2C)o1 ZINC000248337429 359266056 /nfs/dbraw/zinc/26/60/56/359266056.db2.gz HLGXBAYWQSUWMK-VGMNWLOBSA-N 0 1 209.293 2.169 20 0 BEADMN Oc1ccc([C@H]2CCN(Cc3cc[nH]n3)C2)cc1 ZINC000628480781 359341917 /nfs/dbraw/zinc/34/19/17/359341917.db2.gz CHGAJQXFCXVRQK-LBPRGKRZSA-N 0 1 243.310 2.105 20 0 BEADMN CCOC(=O)CCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000611501654 359383968 /nfs/dbraw/zinc/38/39/68/359383968.db2.gz GKFGKRSIJQVGNQ-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN CC(C)OC(=O)CCN1CC[C@H](C)[C@H](F)C1 ZINC000611501566 359384027 /nfs/dbraw/zinc/38/40/27/359384027.db2.gz FHHWSGDOEJSPQH-WDEREUQCSA-N 0 1 231.311 2.008 20 0 BEADMN Cc1cnc(CN[C@H]2CCC2(C)C)nc1 ZINC000580446529 359562753 /nfs/dbraw/zinc/56/27/53/359562753.db2.gz OENATLJIHMEKQY-JTQLQIEISA-N 0 1 205.305 2.063 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000574995508 359530218 /nfs/dbraw/zinc/53/02/18/359530218.db2.gz DOWUUZBUEYSNOV-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN Cc1ncncc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000580465541 359570465 /nfs/dbraw/zinc/57/04/65/359570465.db2.gz MLGCWAOSKGRYEC-ADEWGFFLSA-N 0 1 223.295 2.326 20 0 BEADMN CCc1noc(CC)c1CNC1CSC1 ZINC000309065775 491143920 /nfs/dbraw/zinc/14/39/20/491143920.db2.gz ZGXZJLISKQZANY-UHFFFAOYSA-N 0 1 226.345 2.004 20 0 BEADMN C1=C(CCN2CCc3nn[nH]c3C2)CCCC1 ZINC000450827553 202279202 /nfs/dbraw/zinc/27/92/02/202279202.db2.gz IUNHJJKLKGTUMG-UHFFFAOYSA-N 0 1 232.331 2.053 20 0 BEADMN CC(C)C[C@H](C)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000450844825 202285780 /nfs/dbraw/zinc/28/57/80/202285780.db2.gz QMGVXIJGHWELTR-QJPTWQEYSA-N 0 1 231.405 2.262 20 0 BEADMN C[C@@H](O)CCCN[C@H](C)c1c(F)cncc1F ZINC000450993560 202328854 /nfs/dbraw/zinc/32/88/54/202328854.db2.gz WAVNGZAOUNEAGZ-RKDXNWHRSA-N 0 1 244.285 2.171 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2nccn2C)C2CC2)[C@H](C)O1 ZINC000451165246 202367765 /nfs/dbraw/zinc/36/77/65/202367765.db2.gz KBCWQWJJRVKZHA-URBCHYCLSA-N 0 1 249.358 2.027 20 0 BEADMN COC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451179308 202369407 /nfs/dbraw/zinc/36/94/07/202369407.db2.gz DCGPMOMCEFWDHF-BZPMIXESSA-N 0 1 247.338 2.426 20 0 BEADMN C[C@]1(F)CCCN(CCOCC2CC2)C1 ZINC000451111192 202355133 /nfs/dbraw/zinc/35/51/33/202355133.db2.gz DRFMUJGMVPMDDN-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1CC2(CC2)C1 ZINC000612531275 359877930 /nfs/dbraw/zinc/87/79/30/359877930.db2.gz BMWPNCFKBWESJO-LLVKDONJSA-N 0 1 245.326 2.094 20 0 BEADMN CO[C@H](Cc1ccccc1)CN1CC[C@H](F)C1 ZINC000451190942 202374003 /nfs/dbraw/zinc/37/40/03/202374003.db2.gz GZIMTHVKMOWRHY-UONOGXRCSA-N 0 1 237.318 2.288 20 0 BEADMN CCc1nc(CNC[C@]2(C)CCCO2)cs1 ZINC000087253080 359904555 /nfs/dbraw/zinc/90/45/55/359904555.db2.gz SCIUCBVCBYCLIN-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCOC1(C)C ZINC000451240480 202382975 /nfs/dbraw/zinc/38/29/75/202382975.db2.gz HFFIYZIUQFFDRP-LLVKDONJSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@H](NCc1cscn1)[C@H]1CCCCO1 ZINC000309158419 491145716 /nfs/dbraw/zinc/14/57/16/491145716.db2.gz YBLPXTZOWJOSHY-GXSJLCMTSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cc(CN2CCC(OC(C)C)CC2)ncn1 ZINC000578827328 366653149 /nfs/dbraw/zinc/65/31/49/366653149.db2.gz IZHYPEOHEFRGMA-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN CCn1cccc1C[N@@H+](C)CC(C)(C)OC ZINC000578705436 366628124 /nfs/dbraw/zinc/62/81/24/366628124.db2.gz ZJEKSFXEHZNXHZ-UHFFFAOYSA-N 0 1 224.348 2.365 20 0 BEADMN Cc1cc(C)c(C(=O)N2CCN[C@H](C)C2)c(C)c1 ZINC000088058920 359935164 /nfs/dbraw/zinc/93/51/64/359935164.db2.gz TZIREFXTOBFYSR-CYBMUJFWSA-N 0 1 246.354 2.046 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)C1 ZINC000578785626 366649175 /nfs/dbraw/zinc/64/91/75/366649175.db2.gz OOJDMYDAYSUEAX-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000578905801 366672487 /nfs/dbraw/zinc/67/24/87/366672487.db2.gz JNGCDLKDAVEXAB-SMDDNHRTSA-N 0 1 249.358 2.237 20 0 BEADMN CC(C)[N@@H+](CC[C@H]1CCC[C@H](C)C1)CC(N)=O ZINC000089101519 359989184 /nfs/dbraw/zinc/98/91/84/359989184.db2.gz GQQCQNYCKUNVQA-QWHCGFSZSA-N 0 1 240.391 2.399 20 0 BEADMN COc1cccc(CNCc2cc(C)nn2C)c1 ZINC000089182794 359998011 /nfs/dbraw/zinc/99/80/11/359998011.db2.gz RSELMBDXUUVDTD-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC(C)c1cccc(C(=O)NCCN2CCC2)c1 ZINC000612842149 360105669 /nfs/dbraw/zinc/10/56/69/360105669.db2.gz HKSNVAYJGGUSLO-UHFFFAOYSA-N 0 1 246.354 2.246 20 0 BEADMN CCn1cncc1CN[C@H](C)c1cccc(O)c1 ZINC000090171999 360061352 /nfs/dbraw/zinc/06/13/52/360061352.db2.gz ROIODNONXVPENU-LLVKDONJSA-N 0 1 245.326 2.459 20 0 BEADMN CCc1nn(C)cc1CN[C@H](C)c1ccncc1 ZINC000092354457 360164295 /nfs/dbraw/zinc/16/42/95/360164295.db2.gz CMBAPDZBCRZUMW-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN CCc1nn(C)cc1CNCc1ccccc1 ZINC000092354554 360164396 /nfs/dbraw/zinc/16/43/96/360164396.db2.gz DROCLMCDUFUVOG-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CCN(Cc1cncs1)C[C@H]1CCCO1 ZINC000092406989 360170530 /nfs/dbraw/zinc/17/05/30/360170530.db2.gz NUJAMEZDPWDILZ-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1nn(C)cc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000092540271 360178006 /nfs/dbraw/zinc/17/80/06/360178006.db2.gz HBHFDHFHIJJYMM-NXEZZACHSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)o2)C[C@H](C)S1 ZINC000092540875 360178016 /nfs/dbraw/zinc/17/80/16/360178016.db2.gz FKKAMLKWRNJBHX-AOOOYVTPSA-N 0 1 241.356 2.098 20 0 BEADMN CCn1nc(C)c(CN(C)CCSC)c1C ZINC000093509487 360253918 /nfs/dbraw/zinc/25/39/18/360253918.db2.gz RQTNZHSJXMNTEV-UHFFFAOYSA-N 0 1 241.404 2.315 20 0 BEADMN CSCCN(C)Cc1cnc2c(C)cccn12 ZINC000093509562 360254600 /nfs/dbraw/zinc/25/46/00/360254600.db2.gz IEDBOMIEYDLNDU-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000093343084 360235316 /nfs/dbraw/zinc/23/53/16/360235316.db2.gz GFJFBYBTBVQZOR-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN Cc1cccc([C@@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000093453371 360244781 /nfs/dbraw/zinc/24/47/81/360244781.db2.gz JFIACQVHXLBQDP-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN c1cc(CN2CCC(C3CCOCC3)CC2)n[nH]1 ZINC000093705196 360273011 /nfs/dbraw/zinc/27/30/11/360273011.db2.gz AIJUQMSSYBVQQQ-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN c1cc([C@H]2CN(Cc3cnc[nH]3)CCO2)cs1 ZINC000093768358 360274406 /nfs/dbraw/zinc/27/44/06/360274406.db2.gz JJYPNMANWGTCEP-GFCCVEGCSA-N 0 1 249.339 2.045 20 0 BEADMN CO[C@]1(C)C[C@@H]([N@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871780 360286241 /nfs/dbraw/zinc/28/62/41/360286241.db2.gz VTFHTTNGKASDAO-DGCLKSJQSA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871780 360286242 /nfs/dbraw/zinc/28/62/42/360286242.db2.gz VTFHTTNGKASDAO-DGCLKSJQSA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@]1(C)C[C@@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093871780 360286243 /nfs/dbraw/zinc/28/62/43/360286243.db2.gz VTFHTTNGKASDAO-DGCLKSJQSA-N 0 1 237.347 2.045 20 0 BEADMN CC(C)NC(=O)CNCc1cccc(C2CC2)c1 ZINC000094518351 360310009 /nfs/dbraw/zinc/31/00/09/360310009.db2.gz LGFLIZJLGPBQJG-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN CC(C)NC(=O)CNCc1ccc(C2CC2)cc1 ZINC000094518352 360310493 /nfs/dbraw/zinc/31/04/93/360310493.db2.gz VHOUIHJGASTPMJ-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2ccc(CN)o2)CC1 ZINC000094571978 360312610 /nfs/dbraw/zinc/31/26/10/360312610.db2.gz REZNSLWIXWTIKF-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H](C)C(C)(C)C ZINC000399563589 360374829 /nfs/dbraw/zinc/37/48/29/360374829.db2.gz HNSCVQDZCFLVHA-UWVGGRQHSA-N 0 1 215.337 2.162 20 0 BEADMN CCC(C)(C)CCNC(=O)CCc1cnc[nH]1 ZINC000633968828 360663233 /nfs/dbraw/zinc/66/32/33/360663233.db2.gz WDWLREWFACITEW-UHFFFAOYSA-N 0 1 237.347 2.285 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(COC)no1 ZINC000248374257 325604884 /nfs/dbraw/zinc/60/48/84/325604884.db2.gz OZADGQVUATYVKD-IVZWLZJFSA-N 0 1 241.335 2.301 20 0 BEADMN NC(=O)c1cnccc1NCCC1=CCCCC1 ZINC000302224640 181309832 /nfs/dbraw/zinc/30/98/32/181309832.db2.gz ODDDHWCVPVJONM-UHFFFAOYSA-N 0 1 245.326 2.483 20 0 BEADMN c1nocc1CCSc1nc(C2CC2)n[nH]1 ZINC000629113490 360882858 /nfs/dbraw/zinc/88/28/58/360882858.db2.gz NWGVPVRIUGBIFI-UHFFFAOYSA-N 0 1 236.300 2.005 20 0 BEADMN c1nocc1CCSc1n[nH]c(C2CC2)n1 ZINC000629113490 360882864 /nfs/dbraw/zinc/88/28/64/360882864.db2.gz NWGVPVRIUGBIFI-UHFFFAOYSA-N 0 1 236.300 2.005 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000629360277 361006326 /nfs/dbraw/zinc/00/63/26/361006326.db2.gz NHDPHLBIIBNNHX-HONMWMINSA-N 0 1 245.322 2.154 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364041 361006906 /nfs/dbraw/zinc/00/69/06/361006906.db2.gz KHUCXUXPZIKAFN-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](CC1CC(C)(C)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000629364375 361006998 /nfs/dbraw/zinc/00/69/98/361006998.db2.gz XPGJEKDVLCOKLA-PHIMTYICSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364042 361007152 /nfs/dbraw/zinc/00/71/52/361007152.db2.gz KHUCXUXPZIKAFN-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361049 361009754 /nfs/dbraw/zinc/00/97/54/361009754.db2.gz BVBDWQPKXLHXLW-MNXVOIDGSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000629361592 361011108 /nfs/dbraw/zinc/01/11/08/361011108.db2.gz JIACWZACUHQQKB-BXKDBHETSA-N 0 1 231.295 2.356 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@H]1C ZINC000629363301 361013235 /nfs/dbraw/zinc/01/32/35/361013235.db2.gz DIOSKTOIUXLJKV-GMTAPVOTSA-N 0 1 213.321 2.074 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364721 361018801 /nfs/dbraw/zinc/01/88/01/361018801.db2.gz QSTNCEJWMABCHZ-ZYHUDNBSSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC000629365412 361018924 /nfs/dbraw/zinc/01/89/24/361018924.db2.gz VWKLXJYFCBYDRU-ZYHUDNBSSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000629364833 361019083 /nfs/dbraw/zinc/01/90/83/361019083.db2.gz QLZGJFFOKALFOE-NTZNESFSSA-N 0 1 225.332 2.075 20 0 BEADMN CCCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629373982 361023956 /nfs/dbraw/zinc/02/39/56/361023956.db2.gz RLRZTCYMVDUBPP-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000065962695 361084660 /nfs/dbraw/zinc/08/46/60/361084660.db2.gz BQQPHJZLQPEWEN-UHFFFAOYSA-N 0 1 248.370 2.233 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])nc1 ZINC000424269186 200895549 /nfs/dbraw/zinc/89/55/49/200895549.db2.gz MDTBAJRRHVUNPS-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000629483914 361090769 /nfs/dbraw/zinc/09/07/69/361090769.db2.gz DCXRYCVCUZDRSN-AXFHLTTASA-N 0 1 213.321 2.074 20 0 BEADMN CC[C@@H](NCc1nccc(OC)n1)C(C)C ZINC000424304695 200904470 /nfs/dbraw/zinc/90/44/70/200904470.db2.gz BPOXWORQQPNPGF-SNVBAGLBSA-N 0 1 223.320 2.009 20 0 BEADMN Cc1ccc(CNCc2cc(C)ncn2)s1 ZINC000309724743 491155088 /nfs/dbraw/zinc/15/50/88/491155088.db2.gz XLZCMNSOUZYMJF-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000640474958 361246748 /nfs/dbraw/zinc/24/67/48/361246748.db2.gz CZDNEUXKTDLFOI-DVYJOKAKSA-N 0 1 239.265 2.092 20 0 BEADMN CC(C)[C@@H](O)C1(CNCc2nccs2)CC1 ZINC000309704364 491155352 /nfs/dbraw/zinc/15/53/52/491155352.db2.gz UVASUSPLRXACHL-LLVKDONJSA-N 0 1 240.372 2.030 20 0 BEADMN Cc1cc(C[N@@H+](C)CCO)ccc1Cl ZINC000159535645 361250039 /nfs/dbraw/zinc/25/00/39/361250039.db2.gz HCMXQSXJQAAPAA-UHFFFAOYSA-N 0 1 213.708 2.073 20 0 BEADMN Cc1cccc(Cl)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC000640485556 361279141 /nfs/dbraw/zinc/27/91/41/361279141.db2.gz HZGIKRQIIDNETE-ZWNOBZJWSA-N 0 1 237.730 2.215 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H](F)C1 ZINC000578996441 366689488 /nfs/dbraw/zinc/68/94/88/366689488.db2.gz MUZYLRYJAMQVCT-SECBINFHSA-N 0 1 241.237 2.105 20 0 BEADMN C[C@H](c1ccccc1Cl)N1C[C@@H]2C[C@]2(O)C1 ZINC000640480653 361263722 /nfs/dbraw/zinc/26/37/22/361263722.db2.gz WLWMVEWWHPYBJV-NRUUGDAUSA-N 0 1 237.730 2.468 20 0 BEADMN COC(=O)CC1(NCc2ccccc2F)CC1 ZINC000579014760 366697056 /nfs/dbraw/zinc/69/70/56/366697056.db2.gz WOHABTWLZCMTNR-UHFFFAOYSA-N 0 1 237.274 2.011 20 0 BEADMN CC(C)c1nc(CN(CC(F)F)C2CC2)n[nH]1 ZINC000428252228 201003989 /nfs/dbraw/zinc/00/39/89/201003989.db2.gz GGMGVVYSWCUUBN-UHFFFAOYSA-N 0 1 244.289 2.158 20 0 BEADMN OC[C@@H]1CN(CCCC2CCCCC2)CCO1 ZINC000428286715 201004502 /nfs/dbraw/zinc/00/45/02/201004502.db2.gz LFBRYAUJCIBHGH-AWEZNQCLSA-N 0 1 241.375 2.040 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)OC2(CCC2)C1 ZINC000579234327 366728675 /nfs/dbraw/zinc/72/86/75/366728675.db2.gz ZNQNNYKHDLUPCN-LBPRGKRZSA-N 0 1 239.359 2.389 20 0 BEADMN CCC(CC)CN1CCN(CC(C)C)C(=O)C1 ZINC000428465568 201022934 /nfs/dbraw/zinc/02/29/34/201022934.db2.gz VFYXOLSWYDDQIO-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640618491 361333657 /nfs/dbraw/zinc/33/36/57/361333657.db2.gz APUULYXGBWSWKZ-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2ccc(C)cc21 ZINC000622061954 370686856 /nfs/dbraw/zinc/68/68/56/370686856.db2.gz AHYLAFDJMUWVIQ-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NCc2cocn2)CCO1 ZINC000428867073 201045746 /nfs/dbraw/zinc/04/57/46/201045746.db2.gz ZYVAFNVNCGYLIY-JQWIXIFHSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)C[C@H]1OCCC[C@H]1NCc1cocn1 ZINC000428849011 201046675 /nfs/dbraw/zinc/04/66/75/201046675.db2.gz JKYPJFNNGGPMCP-CHWSQXEVSA-N 0 1 238.331 2.358 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1cc(C)no1 ZINC000631170171 361368433 /nfs/dbraw/zinc/36/84/33/361368433.db2.gz NKUXGFIWQZBQTQ-LBPRGKRZSA-N 0 1 238.331 2.278 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)CC[C@H](C)F ZINC000429120246 201069462 /nfs/dbraw/zinc/06/94/62/201069462.db2.gz DUENQQUBHVOZHA-QWRGUYRKSA-N 0 1 233.327 2.254 20 0 BEADMN CCCN(CC(N)=O)Cc1c(C)cc(C)cc1C ZINC000429127582 201071672 /nfs/dbraw/zinc/07/16/72/201071672.db2.gz MCLJXYXCHSTSAN-UHFFFAOYSA-N 0 1 248.370 2.309 20 0 BEADMN CC(C)CCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000429056101 201064835 /nfs/dbraw/zinc/06/48/35/201064835.db2.gz YASRCWKZLQDWKA-NWDGAFQWSA-N 0 1 249.420 2.176 20 0 BEADMN CCCN(CC(N)=O)Cc1c(C)cccc1C ZINC000429176752 201076638 /nfs/dbraw/zinc/07/66/38/201076638.db2.gz PMNXGVHDKIGPSW-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN CCN(CC(=O)N(C)[C@H]1CC[C@H](C)C1)C1CC1 ZINC000429251453 201083355 /nfs/dbraw/zinc/08/33/55/201083355.db2.gz BHMLJPDWWNXQIS-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@H]1C(=O)NCCN1CCCC(C)C ZINC000429338865 201101642 /nfs/dbraw/zinc/10/16/42/201101642.db2.gz AIJKBHJICFKICT-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN c1nnn2c1CN(CCCC1CCCC1)CC2 ZINC000579255925 366749720 /nfs/dbraw/zinc/74/97/20/366749720.db2.gz UXFGANTYDWMNRB-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@@H]2CC[C@H](C)C2)n1 ZINC000429578523 201119460 /nfs/dbraw/zinc/11/94/60/201119460.db2.gz TVDUTFRVPIOONZ-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)n1 ZINC000429578523 201119461 /nfs/dbraw/zinc/11/94/61/201119461.db2.gz TVDUTFRVPIOONZ-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@@H](NCCCC1(O)CCC1)c1cscn1 ZINC000579461091 366811473 /nfs/dbraw/zinc/81/14/73/366811473.db2.gz FHZJGODGOYMUDM-SNVBAGLBSA-N 0 1 240.372 2.489 20 0 BEADMN CC[C@@H]1CCN1Cc1cccc(O)c1OC ZINC000430191746 201152167 /nfs/dbraw/zinc/15/21/67/201152167.db2.gz HLOZGJAMUXLDDV-LLVKDONJSA-N 0 1 221.300 2.385 20 0 BEADMN CCCn1cc(CN2CC[C@H]2CC)cn1 ZINC000430200723 201154010 /nfs/dbraw/zinc/15/40/10/201154010.db2.gz VHMZJINPWCVYEI-GFCCVEGCSA-N 0 1 207.321 2.277 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)n[nH]1 ZINC000629612119 361502543 /nfs/dbraw/zinc/50/25/43/361502543.db2.gz TVAGLHNSFMFGOK-GWCFXTLKSA-N 0 1 233.315 2.123 20 0 BEADMN CCc1nnc(SCc2cnccc2C)[nH]1 ZINC000433376839 201183727 /nfs/dbraw/zinc/18/37/27/201183727.db2.gz UGQYVBFQJIWWJT-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2cnccc2C)n1 ZINC000433376839 201183731 /nfs/dbraw/zinc/18/37/31/201183731.db2.gz UGQYVBFQJIWWJT-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCn1cccc(CNCc2ccsc2)c1=O ZINC000433181000 201166904 /nfs/dbraw/zinc/16/69/04/201166904.db2.gz IMAARUFPDOYTDT-UHFFFAOYSA-N 0 1 248.351 2.220 20 0 BEADMN CCN(CC(=O)Nc1cc(C)cc(O)c1)C1CC1 ZINC000629631918 361521917 /nfs/dbraw/zinc/52/19/17/361521917.db2.gz KXQZBTOMQHXXLQ-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CC(C)(C)OC(=O)CCCN1CCSCC1 ZINC000181556819 366826950 /nfs/dbraw/zinc/82/69/50/366826950.db2.gz VHGCOWKSBMIRBG-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CCO[C@@H](c1nc([C@H]2CCCN2)no1)C(C)C ZINC000629675353 361598383 /nfs/dbraw/zinc/59/83/83/361598383.db2.gz QPXPINFKLFBJTH-NXEZZACHSA-N 0 1 239.319 2.228 20 0 BEADMN C[C@H](Cc1nc([C@@H]2CCCN2)no1)C(F)(F)F ZINC000629675565 361598794 /nfs/dbraw/zinc/59/87/94/361598794.db2.gz XWNVFSJSYHCTHX-RQJHMYQMSA-N 0 1 249.236 2.235 20 0 BEADMN CCO[C@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000629675354 361598819 /nfs/dbraw/zinc/59/88/19/361598819.db2.gz QPXPINFKLFBJTH-UWVGGRQHSA-N 0 1 239.319 2.228 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)[C@H]1CCCN1C ZINC000434481084 201220651 /nfs/dbraw/zinc/22/06/51/201220651.db2.gz PBGWVQXRYUJUTP-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153720074 201246907 /nfs/dbraw/zinc/24/69/07/201246907.db2.gz GHLQJALYJIUNPF-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CCCCCO)o1 ZINC000434683371 201233426 /nfs/dbraw/zinc/23/34/26/201233426.db2.gz GFZSXNDLKMSVDW-LLVKDONJSA-N 0 1 226.320 2.138 20 0 BEADMN Cc1ccc([C@]2(C)CC[N@@H+](CCC(=O)[O-])C2)cc1 ZINC000434735615 201235838 /nfs/dbraw/zinc/23/58/38/201235838.db2.gz CYKIFNRVCUYVDX-OAHLLOKOSA-N 0 1 247.338 2.433 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccs1 ZINC000070618228 361637493 /nfs/dbraw/zinc/63/74/93/361637493.db2.gz WMLNSLLSMQRUHU-LLVKDONJSA-N 0 1 225.313 2.187 20 0 BEADMN C[C@H]1CN(C(=O)CCCC(C)(C)C)C[C@H](C)N1 ZINC000154248192 201271426 /nfs/dbraw/zinc/27/14/26/201271426.db2.gz WUWQRDIEZFTQGJ-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1oncc1-c1cccc([C@H]2COCCN2)c1 ZINC000629713780 361654409 /nfs/dbraw/zinc/65/44/09/361654409.db2.gz ULJVQXAJGIYVQC-CQSZACIVSA-N 0 1 244.294 2.311 20 0 BEADMN Nc1ccccc1-c1nc(C2(N)CCCC2)no1 ZINC000435908332 201297926 /nfs/dbraw/zinc/29/79/26/201297926.db2.gz OECRHVMTJKBTOI-UHFFFAOYSA-N 0 1 244.298 2.047 20 0 BEADMN N=C(N)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000436445183 201327033 /nfs/dbraw/zinc/32/70/33/201327033.db2.gz CJCSBUIHYMWMMX-UHFFFAOYSA-N 0 1 230.296 2.020 20 0 BEADMN CC[C@H](NCc1snnc1C)c1ccncc1 ZINC000436471173 201330005 /nfs/dbraw/zinc/33/00/05/201330005.db2.gz LABYELHRIPFIKJ-NSHDSACASA-N 0 1 248.355 2.482 20 0 BEADMN CC1=CCCN([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000436256558 201315571 /nfs/dbraw/zinc/31/55/71/201315571.db2.gz BBUFAQWAZOJHSM-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)cc1O ZINC000436821326 201338921 /nfs/dbraw/zinc/33/89/21/201338921.db2.gz OVCUIXOLGVNGLX-BZBKMWRSSA-N 0 1 235.258 2.060 20 0 BEADMN OC[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437761369 201373006 /nfs/dbraw/zinc/37/30/06/201373006.db2.gz SDECWNOFUDGCFG-SNVBAGLBSA-N 0 1 248.301 2.121 20 0 BEADMN O[C@@H]1CCCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437575381 201358313 /nfs/dbraw/zinc/35/83/13/201358313.db2.gz HYVFDUHDFUBWHQ-LLVKDONJSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@@H](O)C(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328251061 363865683 /nfs/dbraw/zinc/86/56/83/363865683.db2.gz SOCZZAIAPBVUCG-MRVPVSSYSA-N 0 1 243.734 2.295 20 0 BEADMN CSc1ccc(COCCc2c[nH]nn2)cc1 ZINC000642367196 363893094 /nfs/dbraw/zinc/89/30/94/363893094.db2.gz UKCHJFCPJPGQRV-UHFFFAOYSA-N 0 1 249.339 2.286 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cc2n(n1)CCC2 ZINC000631704964 363929316 /nfs/dbraw/zinc/92/93/16/363929316.db2.gz VILRWNCOBJZNLB-ZHPDPMBESA-N 0 1 249.358 2.046 20 0 BEADMN NCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000006116911 181355480 /nfs/dbraw/zinc/35/54/80/181355480.db2.gz ZBSQZWVHDQPXGA-UHFFFAOYSA-N 0 1 238.290 2.155 20 0 BEADMN NCC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000237987666 181355323 /nfs/dbraw/zinc/35/53/23/181355323.db2.gz RCBUQUOLVBHWAB-UHFFFAOYSA-N 0 1 246.232 2.079 20 0 BEADMN CCc1ncc(CNCc2ccc[nH]c2=O)s1 ZINC000623777895 364068928 /nfs/dbraw/zinc/06/89/28/364068928.db2.gz WGHHDWSKLLPQHG-UHFFFAOYSA-N 0 1 249.339 2.096 20 0 BEADMN C[C@H]1COCCCN1Cc1cccc(F)c1N ZINC000398929724 364090446 /nfs/dbraw/zinc/09/04/46/364090446.db2.gz XTQKSXOADZACMQ-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN C[C@@H]1COCCCN1Cc1cccc(F)c1N ZINC000398929725 364090561 /nfs/dbraw/zinc/09/05/61/364090561.db2.gz XTQKSXOADZACMQ-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCCO1)CCO2 ZINC000079943606 370706216 /nfs/dbraw/zinc/70/62/16/370706216.db2.gz DVEPIQQCHODDRW-AWEZNQCLSA-N 0 1 247.338 2.450 20 0 BEADMN c1ccc2c(c1)CN(C[C@@H]1CCCCO1)CCO2 ZINC000079943606 370706220 /nfs/dbraw/zinc/70/62/20/370706220.db2.gz DVEPIQQCHODDRW-AWEZNQCLSA-N 0 1 247.338 2.450 20 0 BEADMN CCc1ccc(C)nc1NC(=O)CN(C)C(C)C ZINC000622139314 370730658 /nfs/dbraw/zinc/73/06/58/370730658.db2.gz CBXCWVPYGHPYPG-UHFFFAOYSA-N 0 1 249.358 2.231 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)[C@H](O)C(F)(F)F ZINC000631718984 364178015 /nfs/dbraw/zinc/17/80/15/364178015.db2.gz KRTLGQLIDNAGQC-XKSSXDPKSA-N 0 1 248.248 2.044 20 0 BEADMN NCc1nccn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000630583496 364285830 /nfs/dbraw/zinc/28/58/30/364285830.db2.gz GKSGXIFVCXLFRW-STQMWFEESA-N 0 1 227.311 2.146 20 0 BEADMN C[C@H]1CCCC[C@H]1Cn1ccnc1CN ZINC000630584100 364287807 /nfs/dbraw/zinc/28/78/07/364287807.db2.gz QHZOFIDNBWBPLZ-QWRGUYRKSA-N 0 1 207.321 2.168 20 0 BEADMN CCNCc1cn([C@H](C)c2ccccc2F)nn1 ZINC000630612928 364341152 /nfs/dbraw/zinc/34/11/52/364341152.db2.gz DUANBKVKICHQML-SNVBAGLBSA-N 0 1 248.305 2.136 20 0 BEADMN CSc1ccc(Cn2ccnc2CN)cc1 ZINC000630584527 364290498 /nfs/dbraw/zinc/29/04/98/364290498.db2.gz TYLQKUZTHSRYQR-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN CNC(C)(C)c1cn([C@H]2CC[C@H](C)C2)nn1 ZINC000630601941 364317284 /nfs/dbraw/zinc/31/72/84/364317284.db2.gz DDMIXYKELFYHDL-UWVGGRQHSA-N 0 1 222.336 2.094 20 0 BEADMN CNC(C)(C)c1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000630602683 364318344 /nfs/dbraw/zinc/31/83/44/364318344.db2.gz DFXJXWVOPSZMMH-SNVBAGLBSA-N 0 1 236.363 2.484 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2ccccc2F)nn1 ZINC000630614212 364346076 /nfs/dbraw/zinc/34/60/76/364346076.db2.gz QLGDAWJCECNCAI-UWVGGRQHSA-N 0 1 248.305 2.307 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@H]1CCCCO1 ZINC000453074814 202697198 /nfs/dbraw/zinc/69/71/98/202697198.db2.gz JZIXVSYBMNPYNP-VXGBXAGGSA-N 0 1 237.347 2.123 20 0 BEADMN CCn1cc(N[C@H](C)c2cn[nH]c2C)cn1 ZINC000134609267 541359415 /nfs/dbraw/zinc/35/94/15/541359415.db2.gz XVCGJFUAXORGLU-MRVPVSSYSA-N 0 1 219.292 2.108 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@@H](OC)C(C)C ZINC000453125662 202703307 /nfs/dbraw/zinc/70/33/07/202703307.db2.gz TUBOQFSPMSQFMP-VXGBXAGGSA-N 0 1 239.363 2.225 20 0 BEADMN CC[C@H]1CN(Cc2cnoc2C)CCS1 ZINC000181725857 366842404 /nfs/dbraw/zinc/84/24/04/366842404.db2.gz ORUGJYZBTFQVDX-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN Cc1cncc(CN[C@@H](C)c2cncnc2C)c1 ZINC000580725943 366857630 /nfs/dbraw/zinc/85/76/30/366857630.db2.gz YMLTUYCQXSLWME-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN C[C@@H]1CCCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC000246511210 364599858 /nfs/dbraw/zinc/59/98/58/364599858.db2.gz BKHURSHYJGLSGI-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@H](C)O[C@H]2C)s1 ZINC000295646579 364780136 /nfs/dbraw/zinc/78/01/36/364780136.db2.gz IOJHIAJBKDXECD-ATZCPNFKSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1nc(CNCc2ccsc2C)n[nH]1 ZINC000296129619 364782418 /nfs/dbraw/zinc/78/24/18/364782418.db2.gz UIMFQUNYCMVKGZ-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CCN(C)C(=O)[C@H](C)NCc1csc(C)c1 ZINC000297077284 364788095 /nfs/dbraw/zinc/78/80/95/364788095.db2.gz ZWMNQKPYHBMODF-JTQLQIEISA-N 0 1 240.372 2.013 20 0 BEADMN C[C@H](CNCc1cnccn1)Oc1ccccc1 ZINC000573302874 364792545 /nfs/dbraw/zinc/79/25/45/364792545.db2.gz VVSGQPBCKDOPCW-GFCCVEGCSA-N 0 1 243.310 2.034 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1cscn1 ZINC000573376026 364814482 /nfs/dbraw/zinc/81/44/82/364814482.db2.gz FMBSITQBPDZWRM-ONGXEEELSA-N 0 1 228.361 2.030 20 0 BEADMN C[N@@H+](CC1CCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000573379890 364816780 /nfs/dbraw/zinc/81/67/80/364816780.db2.gz VTCUPQLLMNKSJH-CQSZACIVSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1cc(C)cc(CNC(=O)c2[nH]ncc2F)c1 ZINC001642094299 1172324041 /nfs/dbraw/zinc/32/40/41/1172324041.db2.gz PXTVAWGZFXUZGK-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1CCCC1(F)F ZINC000573864764 364935686 /nfs/dbraw/zinc/93/56/86/364935686.db2.gz ZHXPWDVCASTCHQ-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN CCc1ncc(CN2C3CCC2CC3)cn1 ZINC000573935352 364951495 /nfs/dbraw/zinc/95/14/95/364951495.db2.gz WZBBIQMEVHKFFA-UHFFFAOYSA-N 0 1 217.316 2.166 20 0 BEADMN CCC[C@@H](NC(=O)CCc1cnc[nH]1)C1CCC1 ZINC000458343259 541431470 /nfs/dbraw/zinc/43/14/70/541431470.db2.gz VMZPSSBTCDWTSQ-CYBMUJFWSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1nc2cc(N[C@H](C)[C@H](C)O)ccc2n1C ZINC000574192767 365008417 /nfs/dbraw/zinc/00/84/17/365008417.db2.gz LBSOCQMCZGQPRV-BDAKNGLRSA-N 0 1 233.315 2.063 20 0 BEADMN C[C@H]1CC[C@@H]([N@H+](C)Cc2ncccc2[O-])C1 ZINC000574198892 365008525 /nfs/dbraw/zinc/00/85/25/365008525.db2.gz HLSALHCUJNQIEH-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2ncccc2[O-])C1 ZINC000574198892 365008528 /nfs/dbraw/zinc/00/85/28/365008528.db2.gz HLSALHCUJNQIEH-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCC(C)(C)C ZINC000574216067 365012358 /nfs/dbraw/zinc/01/23/58/365012358.db2.gz ASFUCQWJYQJSQX-SNVBAGLBSA-N 0 1 237.347 2.141 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000574216938 365013051 /nfs/dbraw/zinc/01/30/51/365013051.db2.gz NCKGVVNIYLXSTJ-MNOVXSKESA-N 0 1 237.347 2.139 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cc(C(C)=O)no1 ZINC000574216747 365013350 /nfs/dbraw/zinc/01/33/50/365013350.db2.gz DHDNNMMKPYCSAI-KOLCDFICSA-N 0 1 236.315 2.498 20 0 BEADMN COCC[N@@H+](Cc1ccno1)[C@@H]1CC[C@H](C)C1 ZINC000574379883 365046623 /nfs/dbraw/zinc/04/66/23/365046623.db2.gz JEVADTCGKJHAGX-NWDGAFQWSA-N 0 1 238.331 2.312 20 0 BEADMN c1csc(N2CCN(CCC3CC3)CC2)n1 ZINC000574378862 365046813 /nfs/dbraw/zinc/04/68/13/365046813.db2.gz JYOXTJXJLHGBIY-UHFFFAOYSA-N 0 1 237.372 2.065 20 0 BEADMN C[C@H](C[N@@H+](CCCCCF)C1CC1)C(=O)[O-] ZINC000574645346 365111968 /nfs/dbraw/zinc/11/19/68/365111968.db2.gz XBZLFAKTICWCLX-SNVBAGLBSA-N 0 1 231.311 2.311 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccn(C)n1 ZINC000574645886 365111975 /nfs/dbraw/zinc/11/19/75/365111975.db2.gz UIHZBUQUZUWBAU-STQMWFEESA-N 0 1 221.348 2.334 20 0 BEADMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1nccs1 ZINC000443307595 193015822 /nfs/dbraw/zinc/01/58/22/193015822.db2.gz IFBIVGOJWRPPRP-MXWKQRLJSA-N 0 1 240.372 2.124 20 0 BEADMN Cc1ccc(O)c(NC(=O)c2ncccc2O)c1 ZINC000171268863 365185474 /nfs/dbraw/zinc/18/54/74/365185474.db2.gz GUAPXWGSVGSVIM-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CC(C)CN(CC(C)(C)C)C(=O)CN(C)C ZINC000443058052 193013057 /nfs/dbraw/zinc/01/30/57/193013057.db2.gz IYZWJCOKMKNLJX-UHFFFAOYSA-N 0 1 228.380 2.079 20 0 BEADMN CC(C)OCCN1CCO[C@@H](C(C)(C)C)C1 ZINC000575082853 365190960 /nfs/dbraw/zinc/19/09/60/365190960.db2.gz VRARYCDNHRTHFY-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1C(C)=CCC[C@@H]1C ZINC000443415810 193021037 /nfs/dbraw/zinc/02/10/37/193021037.db2.gz IIRYPCGQZGXRDM-STQMWFEESA-N 0 1 239.359 2.474 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccn2)[C@@H]1C ZINC000192039791 365270202 /nfs/dbraw/zinc/27/02/02/365270202.db2.gz YLKNGJGWFSKUEN-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1ncccn1 ZINC000192039796 365270600 /nfs/dbraw/zinc/27/06/00/365270600.db2.gz YLKNGJGWFSKUEN-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN CCC[N@@H+](CCc1cccs1)[C@H](C)C(=O)[O-] ZINC000575188063 365235001 /nfs/dbraw/zinc/23/50/01/365235001.db2.gz INWSUNXXFSEIEB-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN CCc1nc(NC(=O)c2cc(C)cc(F)c2)n[nH]1 ZINC000182287482 366883056 /nfs/dbraw/zinc/88/30/56/366883056.db2.gz FFFQHYNLZAXIEW-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(C)cc(F)c2)n1 ZINC000182287482 366883061 /nfs/dbraw/zinc/88/30/61/366883061.db2.gz FFFQHYNLZAXIEW-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1nc(CNC[C@H](CC)OC)cs1 ZINC000336716843 365362514 /nfs/dbraw/zinc/36/25/14/365362514.db2.gz XNOWSIWARNNWMF-JTQLQIEISA-N 0 1 228.361 2.220 20 0 BEADMN CCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000182237861 366877469 /nfs/dbraw/zinc/87/74/69/366877469.db2.gz CZYFLTZXVLSIRX-UHFFFAOYSA-N 0 1 238.297 2.355 20 0 BEADMN CN(Cc1ccc2c(n1)CCC2)C[C@H]1CCCO1 ZINC000575847801 365382291 /nfs/dbraw/zinc/38/22/91/365382291.db2.gz YVRSVZGMWHAZJF-CQSZACIVSA-N 0 1 246.354 2.181 20 0 BEADMN COC1(CCN2CC(C(F)(F)F)C2)CCC1 ZINC000575872984 365398499 /nfs/dbraw/zinc/39/84/99/365398499.db2.gz OFRLIFOCYJOBFZ-UHFFFAOYSA-N 0 1 237.265 2.440 20 0 BEADMN CC[C@@H](NCc1ncc(Cl)s1)C(C)(C)O ZINC000339539440 365465711 /nfs/dbraw/zinc/46/57/11/365465711.db2.gz MGFLKSAKOQZDMQ-SSDOTTSWSA-N 0 1 248.779 2.436 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1ncc(C)s1 ZINC000556145813 325781024 /nfs/dbraw/zinc/78/10/24/325781024.db2.gz ORJDVDQSBSJCBG-IUCAKERBSA-N 0 1 228.386 2.435 20 0 BEADMN CCCCOCCNCc1conc1CC ZINC000339211778 365451387 /nfs/dbraw/zinc/45/13/87/365451387.db2.gz IRDMIWTXZJWPHY-UHFFFAOYSA-N 0 1 226.320 2.143 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000579615021 366909943 /nfs/dbraw/zinc/90/99/43/366909943.db2.gz UWUWBWLXXGCYCC-KKZNHRDASA-N 0 1 247.285 2.217 20 0 BEADMN C[C@H](NCc1nccc(N)n1)C1CCCCC1 ZINC000182943247 366960708 /nfs/dbraw/zinc/96/07/08/366960708.db2.gz HBOKCOJAONHSMP-JTQLQIEISA-N 0 1 234.347 2.117 20 0 BEADMN CC[C@@]1(NCc2ccn(C(C)C)n2)CCOC1 ZINC000383090842 541513586 /nfs/dbraw/zinc/51/35/86/541513586.db2.gz LHOQJOZVKFIGDX-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN COC[C@H](NCc1nc2ccccc2o1)C1CC1 ZINC000183452775 367023507 /nfs/dbraw/zinc/02/35/07/367023507.db2.gz MDZUDFMBPVLENQ-LBPRGKRZSA-N 0 1 246.310 2.342 20 0 BEADMN COC[C@@H](NCc1nc2ccccc2o1)C1CC1 ZINC000183452794 367024352 /nfs/dbraw/zinc/02/43/52/367024352.db2.gz MDZUDFMBPVLENQ-GFCCVEGCSA-N 0 1 246.310 2.342 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000579850443 367050474 /nfs/dbraw/zinc/05/04/74/367050474.db2.gz XNCSKPGEHUEJNP-MNOVXSKESA-N 0 1 237.347 2.235 20 0 BEADMN CC(C)(C)CCCNc1ccncc1C(N)=O ZINC000184121303 367064026 /nfs/dbraw/zinc/06/40/26/367064026.db2.gz TYHVMNGLHVRZOT-UHFFFAOYSA-N 0 1 235.331 2.419 20 0 BEADMN CCc1nc(CN(C)Cc2cccc(F)c2)n[nH]1 ZINC000185165137 367122768 /nfs/dbraw/zinc/12/27/68/367122768.db2.gz OHDBMXUBDFKCCO-UHFFFAOYSA-N 0 1 248.305 2.138 20 0 BEADMN Cc1cccc(N2CCC(CC(=O)[O-])CC2)[nH+]1 ZINC000579957961 367103835 /nfs/dbraw/zinc/10/38/35/367103835.db2.gz LIWVLPQCBPVDGB-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCC2(C)C)o1 ZINC000380179421 367153195 /nfs/dbraw/zinc/15/31/95/367153195.db2.gz FVXCBCFWYXPOHW-CBAPKCEASA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cnccc1N(C)C ZINC000622291341 370825989 /nfs/dbraw/zinc/82/59/89/370825989.db2.gz IIIXVCUYLYNYKU-SNVBAGLBSA-N 0 1 247.342 2.018 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1 ZINC000580778804 367163235 /nfs/dbraw/zinc/16/32/35/367163235.db2.gz PYYPUUIYWSCRNY-VIFPVBQESA-N 0 1 213.302 2.216 20 0 BEADMN CCc1noc(CN2CCC[C@H](C)CC2)n1 ZINC000068829427 370852391 /nfs/dbraw/zinc/85/23/91/370852391.db2.gz LOUPVQZXGLXXCH-JTQLQIEISA-N 0 1 223.320 2.254 20 0 BEADMN CC1(C)[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccccc3)C[C@@H]21 ZINC000380387392 367196172 /nfs/dbraw/zinc/19/61/72/367196172.db2.gz ZNNKYYDTCAORHH-XQQFMLRXSA-N 0 1 245.322 2.400 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1sccc1Cl ZINC000194405629 367285644 /nfs/dbraw/zinc/28/56/44/367285644.db2.gz WAFOFLAYSCJKBV-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000581196832 367291215 /nfs/dbraw/zinc/29/12/15/367291215.db2.gz QUCBKGKKLWYKBA-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CSc1nn(C[C@H]2CCC[C@@H](C)C2)c(=O)[nH]1 ZINC000194582511 367306625 /nfs/dbraw/zinc/30/66/25/367306625.db2.gz CJVDJDPQWRCUIU-BDAKNGLRSA-N 0 1 241.360 2.120 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCCF)[C@@H](C(=O)[O-])C1 ZINC000380874473 367319973 /nfs/dbraw/zinc/31/99/73/367319973.db2.gz YJRLAQGDVDZZMV-WDEREUQCSA-N 0 1 231.311 2.311 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCCF)[C@@H](C(=O)[O-])C1 ZINC000380874451 367321072 /nfs/dbraw/zinc/32/10/72/367321072.db2.gz YJRLAQGDVDZZMV-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2cccc(O)c2)n[nH]1 ZINC000581296719 367324474 /nfs/dbraw/zinc/32/44/74/367324474.db2.gz XFUCFOITAOCZOR-SECBINFHSA-N 0 1 246.314 2.012 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CCCC2(F)F)C1 ZINC000381556083 367429977 /nfs/dbraw/zinc/42/99/77/367429977.db2.gz HAMQTCQDVIBRIJ-MWLCHTKSSA-N 0 1 247.285 2.218 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCC=C(C)C1 ZINC000382492962 367530314 /nfs/dbraw/zinc/53/03/14/367530314.db2.gz GREYFZFTQBQYTC-LBPRGKRZSA-N 0 1 225.332 2.370 20 0 BEADMN CC1=CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000382533912 367534683 /nfs/dbraw/zinc/53/46/83/367534683.db2.gz LJNKJIAJFVPNJB-CYBMUJFWSA-N 0 1 231.295 2.464 20 0 BEADMN CC1=CC[N@@H+](Cc2occc2C(=O)[O-])CC1 ZINC000382544218 367536013 /nfs/dbraw/zinc/53/60/13/367536013.db2.gz XRSLOICUFQHXJL-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN CC(C)c1nsc(NCC[C@@H](C)F)n1 ZINC000382430053 367521317 /nfs/dbraw/zinc/52/13/17/367521317.db2.gz ZOINABVNEFLLQP-SSDOTTSWSA-N 0 1 217.313 2.243 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000581616754 367636117 /nfs/dbraw/zinc/63/61/17/367636117.db2.gz XHGPFHHRZGBKRC-TUAOUCFPSA-N 0 1 249.358 2.235 20 0 BEADMN c1nc(CN2CCc3ccccc3CC2)co1 ZINC000581644784 367648975 /nfs/dbraw/zinc/64/89/75/367648975.db2.gz OLNCMQJMZGDNPY-UHFFFAOYSA-N 0 1 228.295 2.275 20 0 BEADMN Cc1nccc(NC[C@H](C)CCCO)c1Cl ZINC000384400589 367689174 /nfs/dbraw/zinc/68/91/74/367689174.db2.gz PEBHSCKQKAMLRT-SECBINFHSA-N 0 1 242.750 2.286 20 0 BEADMN Cc1ccncc1NC(=O)c1cn[nH]c1C(C)C ZINC000622355610 370864176 /nfs/dbraw/zinc/86/41/76/370864176.db2.gz LOTMRWJGITZNIJ-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC[C@H](N[C@@H](C)c1csc(C)n1)[C@@H](C)O ZINC000386687622 368010434 /nfs/dbraw/zinc/01/04/34/368010434.db2.gz JPKAWDMOINENKH-XKSSXDPKSA-N 0 1 228.361 2.262 20 0 BEADMN CC(C)(C)n1cc(CN[C@@H]2CC23CCCC3)nn1 ZINC000386866263 368029925 /nfs/dbraw/zinc/02/99/25/368029925.db2.gz GHENBANTLJHFTF-GFCCVEGCSA-N 0 1 248.374 2.455 20 0 BEADMN CC1CCN(CC(=O)Nc2ccc(O)cc2)CC1 ZINC000027344018 368237169 /nfs/dbraw/zinc/23/71/69/368237169.db2.gz XAIJAGKIZBYCSM-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000029510835 368243470 /nfs/dbraw/zinc/24/34/70/368243470.db2.gz VVCLATQSRMCBIQ-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000029510834 368243682 /nfs/dbraw/zinc/24/36/82/368243682.db2.gz VVCLATQSRMCBIQ-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN CCC1(C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000615789562 368307378 /nfs/dbraw/zinc/30/73/78/368307378.db2.gz KTBIXVHGOUDHQD-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN CCOC(=O)CCCN(C)Cc1ccco1 ZINC000057592486 368495374 /nfs/dbraw/zinc/49/53/74/368495374.db2.gz AVPMSHFFDBDEKN-UHFFFAOYSA-N 0 1 225.288 2.055 20 0 BEADMN CN(Cc1cccc2c1OCO2)C1CC1 ZINC000153765546 326111984 /nfs/dbraw/zinc/11/19/84/326111984.db2.gz BUGVXTRQBKGFCI-UHFFFAOYSA-N 0 1 205.257 2.010 20 0 BEADMN CC(C)CN(C)Cc1nc(-c2ccccn2)no1 ZINC000068522667 368729745 /nfs/dbraw/zinc/72/97/45/368729745.db2.gz BMWIRARDADSWIG-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN C[C@@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000069874568 368760031 /nfs/dbraw/zinc/76/00/31/368760031.db2.gz SICYOCGIZJKADN-CYBMUJFWSA-N 0 1 246.354 2.381 20 0 BEADMN CCONC(=O)C(C)(C)c1ccccc1OC ZINC000069987699 368760769 /nfs/dbraw/zinc/76/07/69/368760769.db2.gz YMIWXRWDOALIAR-UHFFFAOYSA-N 0 1 237.299 2.041 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccccc1 ZINC000070738233 368762711 /nfs/dbraw/zinc/76/27/11/368762711.db2.gz JWWHJAZDUKVKEE-LBPRGKRZSA-N 0 1 248.370 2.422 20 0 BEADMN CCCCN(C)C(=O)c1cccc2c[nH]nc21 ZINC000074004907 368825323 /nfs/dbraw/zinc/82/53/23/368825323.db2.gz XLMIGTOGLVMMMN-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783674 368885079 /nfs/dbraw/zinc/88/50/79/368885079.db2.gz CPGKFSNPFLFJJY-BXUZGUMPSA-N 0 1 248.326 2.329 20 0 BEADMN CC1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000087256564 368891125 /nfs/dbraw/zinc/89/11/25/368891125.db2.gz PUGMWVAPGAHXRQ-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN Cc1cc[nH+]c(N2CCC(CC(=O)[O-])CC2)c1 ZINC000115059997 368972326 /nfs/dbraw/zinc/97/23/26/368972326.db2.gz YRMMKJRQFRPXRC-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN C[C@](N)(C(=O)N[C@@H]1CC=CCC1)c1ccccc1 ZINC000088748404 368926295 /nfs/dbraw/zinc/92/62/95/368926295.db2.gz NFYCNGHXFIRTKO-UKRRQHHQSA-N 0 1 244.338 2.085 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1[C@H](C)CCC1(C)C ZINC000616179040 369011925 /nfs/dbraw/zinc/01/19/25/369011925.db2.gz MIXAIYFGETYBTA-WDEREUQCSA-N 0 1 249.358 2.378 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc(OC)cc2)c1=O ZINC000109346145 259535434 /nfs/dbraw/zinc/53/54/34/259535434.db2.gz OQTFCPAUWSZOQI-LBPRGKRZSA-N 0 1 232.283 2.444 20 0 BEADMN COc1cc(F)cc(CNCC2(F)CC2)c1 ZINC000309841627 326171273 /nfs/dbraw/zinc/17/12/73/326171273.db2.gz DOAFLYHJJYOSOO-UHFFFAOYSA-N 0 1 227.254 2.426 20 0 BEADMN CCCC(C)(C)CC(=O)N(C)CC1CN(C)C1 ZINC000618190667 369083057 /nfs/dbraw/zinc/08/30/57/369083057.db2.gz BRYGEOZZVYORDO-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N(C)CC1CN(C)C1 ZINC000618191653 369085087 /nfs/dbraw/zinc/08/50/87/369085087.db2.gz MYSWMKCRUGHVQY-NSHDSACASA-N 0 1 240.391 2.079 20 0 BEADMN Cl/C=C(/Cl)CSc1cn[nH]n1 ZINC000130848584 369118832 /nfs/dbraw/zinc/11/88/32/369118832.db2.gz DWRWVFCSPDALFP-DAFODLJHSA-N 0 1 210.089 2.216 20 0 BEADMN CC(C)C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000567409233 326185002 /nfs/dbraw/zinc/18/50/02/326185002.db2.gz WBTHQDUKCSSODT-HBNTYKKESA-N 0 1 213.321 2.216 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCCC1CCC1 ZINC000618620757 369188081 /nfs/dbraw/zinc/18/80/81/369188081.db2.gz ZDRKWTPIQPSVNV-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000618871173 369231601 /nfs/dbraw/zinc/23/16/01/369231601.db2.gz ORRIVUCELZMYQG-ZYHUDNBSSA-N 0 1 247.342 2.134 20 0 BEADMN CC(C)[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459287145 203247515 /nfs/dbraw/zinc/24/75/15/203247515.db2.gz FETZTNYZPZVBSA-UHFFFAOYSA-N 0 1 205.305 2.194 20 0 BEADMN CC[N@@H+](CCO)Cc1ccc(C2CC2)cc1 ZINC000459298337 203247956 /nfs/dbraw/zinc/24/79/56/203247956.db2.gz OIXTWWGWKSBMDI-UHFFFAOYSA-N 0 1 219.328 2.378 20 0 BEADMN CN(CCn1cc(Cl)cn1)Cc1ccoc1 ZINC000459304702 203253642 /nfs/dbraw/zinc/25/36/42/203253642.db2.gz NZWUWMRZCFOCBR-UHFFFAOYSA-N 0 1 239.706 2.262 20 0 BEADMN COCc1cc(CN2CCC[C@H](C)[C@H]2C)no1 ZINC000459329450 203259043 /nfs/dbraw/zinc/25/90/43/203259043.db2.gz ROOOFDQQDORAEA-WDEREUQCSA-N 0 1 238.331 2.441 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cc(COC)on1 ZINC000459348845 203264384 /nfs/dbraw/zinc/26/43/84/203264384.db2.gz RDEVWLRLMVGUMD-PWSUYJOCSA-N 0 1 238.331 2.441 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cc(COC)on1 ZINC000459348847 203265985 /nfs/dbraw/zinc/26/59/85/203265985.db2.gz RDEVWLRLMVGUMD-ZYHUDNBSSA-N 0 1 238.331 2.441 20 0 BEADMN C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)CC1CCC1 ZINC000459355342 203268098 /nfs/dbraw/zinc/26/80/98/203268098.db2.gz YRVKXCVVWBFNLC-UHFFFAOYSA-N 0 1 247.342 2.292 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC[C@H]2C[C@H]2C1 ZINC000619360310 369324416 /nfs/dbraw/zinc/32/44/16/369324416.db2.gz OXWSWOSNUGCRCT-IUCAKERBSA-N 0 1 235.258 2.013 20 0 BEADMN F[C@@H]1CCN(CCOCC2CCCC2)C1 ZINC000459481759 203289473 /nfs/dbraw/zinc/28/94/73/203289473.db2.gz BHWARBAMDODDRN-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN COCc1cc(CN2CC[C@@H]3CCC[C@@H]32)no1 ZINC000459485665 203291350 /nfs/dbraw/zinc/29/13/50/203291350.db2.gz DVLIMQBWFXIEEB-GWCFXTLKSA-N 0 1 236.315 2.195 20 0 BEADMN COCCC(C)(C)CNCc1cc(C)on1 ZINC000459489713 203291886 /nfs/dbraw/zinc/29/18/86/203291886.db2.gz UNMSWLAETBEION-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN COCc1cc(CN[C@H]2CC[C@@H](C)C2)no1 ZINC000459523844 203294668 /nfs/dbraw/zinc/29/46/68/203294668.db2.gz VUYCNMZSXIYBFP-ZJUUUORDSA-N 0 1 224.304 2.099 20 0 BEADMN COCc1cc(CN[C@@H]2CC[C@@H](C)C2)no1 ZINC000459523841 203295115 /nfs/dbraw/zinc/29/51/15/203295115.db2.gz VUYCNMZSXIYBFP-NXEZZACHSA-N 0 1 224.304 2.099 20 0 BEADMN CCN(Cc1cc(COC)on1)CC1CCC1 ZINC000459524325 203295689 /nfs/dbraw/zinc/29/56/89/203295689.db2.gz JRXYIXBWDOQQJB-UHFFFAOYSA-N 0 1 238.331 2.443 20 0 BEADMN Cc1cc(CNCCCc2ccc(O)cc2)no1 ZINC000459412651 203277433 /nfs/dbraw/zinc/27/74/33/203277433.db2.gz NHGVMSXFACOFQS-UHFFFAOYSA-N 0 1 246.310 2.411 20 0 BEADMN CCOCCOC1CN(CCC(C)(C)C)C1 ZINC000459457052 203284475 /nfs/dbraw/zinc/28/44/75/203284475.db2.gz ILCJTRKQHQWMSB-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN CCOC1(CNCc2cc(C)on2)CCCC1 ZINC000459581500 203306400 /nfs/dbraw/zinc/30/64/00/203306400.db2.gz COWDERLMPKJUFM-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN COC1CN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000459590627 203308998 /nfs/dbraw/zinc/30/89/98/203308998.db2.gz YIUHIQBSQNEJDR-NSHDSACASA-N 0 1 237.318 2.477 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@H]2CC(C)C)no1 ZINC000459661885 203332037 /nfs/dbraw/zinc/33/20/37/203332037.db2.gz YDKCNVNNKFSUGZ-ZWNOBZJWSA-N 0 1 238.331 2.345 20 0 BEADMN C/C(=C/c1ccccc1)CN1CC(C)(CO)C1 ZINC000459617014 203315879 /nfs/dbraw/zinc/31/58/79/203315879.db2.gz BFVYBXLKWIOIRO-JYRVWZFOSA-N 0 1 231.339 2.404 20 0 BEADMN COCC1(C)CN(Cc2ccccc2OC)C1 ZINC000459619505 203319750 /nfs/dbraw/zinc/31/97/50/203319750.db2.gz JBTJGHYISOAZIA-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN COCC1(C)CN(Cc2ccc(OC)cc2)C1 ZINC000459617803 203319771 /nfs/dbraw/zinc/31/97/71/203319771.db2.gz CXGMSOTXHZIXGY-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN COCC1(C)CN(C/C=C/c2ccncc2)C1 ZINC000459624799 203320925 /nfs/dbraw/zinc/32/09/25/203320925.db2.gz UXOGJPOBFXJMLN-ONEGZZNKSA-N 0 1 232.327 2.063 20 0 BEADMN C(CN1CCOC[C@@H]1C1CCC1)OC1CCC1 ZINC000567812249 326261578 /nfs/dbraw/zinc/26/15/78/326261578.db2.gz OAIOJCXKZKJTID-CQSZACIVSA-N 0 1 239.359 2.056 20 0 BEADMN c1cn2c(cccc2CN2C[C@@H]3C[C@H]2CS3)n1 ZINC000459751503 203356958 /nfs/dbraw/zinc/35/69/58/203356958.db2.gz KBNYFPPTCNTFEP-RYUDHWBXSA-N 0 1 245.351 2.024 20 0 BEADMN CCC[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000203908504 369490822 /nfs/dbraw/zinc/49/08/22/369490822.db2.gz ORROXXNZRLJMTC-UHFFFAOYSA-N 0 1 219.284 2.153 20 0 BEADMN CN(C)c1noc(-c2ccc(Cl)cc2O)n1 ZINC000164733260 203377579 /nfs/dbraw/zinc/37/75/79/203377579.db2.gz LWQHQAXIGHICDX-UHFFFAOYSA-N 0 1 239.662 2.162 20 0 BEADMN CCCc1cc(C(=O)N(CC)CC2CC2)n[nH]1 ZINC000069747825 370985900 /nfs/dbraw/zinc/98/59/00/370985900.db2.gz PVMVHPMOSSPFFY-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN CC(C)SCCN[C@@H](C)c1ccn(C)n1 ZINC000459799582 203372508 /nfs/dbraw/zinc/37/25/08/203372508.db2.gz VPSYKHKRADSEFD-JTQLQIEISA-N 0 1 227.377 2.212 20 0 BEADMN Cc1cc(CNCCN(C)c2ccccc2)on1 ZINC000631037897 370992175 /nfs/dbraw/zinc/99/21/75/370992175.db2.gz JZGACYXXVYPVQG-UHFFFAOYSA-N 0 1 245.326 2.209 20 0 BEADMN CCC[N@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC000619901412 369632437 /nfs/dbraw/zinc/63/24/37/369632437.db2.gz RTMSSFCJFUAHJP-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000620079327 369715359 /nfs/dbraw/zinc/71/53/59/369715359.db2.gz RUOKSESUYWLVQH-YMTOWFKASA-N 0 1 247.342 2.134 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000620079326 369715546 /nfs/dbraw/zinc/71/55/46/369715546.db2.gz RUOKSESUYWLVQH-XPTSAGLGSA-N 0 1 247.342 2.134 20 0 BEADMN CC(C)[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC000620039390 369681606 /nfs/dbraw/zinc/68/16/06/369681606.db2.gz VHHYDCVZDXKIMD-LBPRGKRZSA-N 0 1 247.342 2.063 20 0 BEADMN CCN(CC(=O)N[C@@H](C(C)C)C1CC1)C1CC1 ZINC000620042356 369685634 /nfs/dbraw/zinc/68/56/34/369685634.db2.gz KTTABVYBRSJZPW-AWEZNQCLSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1noc(CN2CCC[C@H]2C(C)C)n1 ZINC000620140062 369745924 /nfs/dbraw/zinc/74/59/24/369745924.db2.gz GWJXEKNJOUGVEM-JTQLQIEISA-N 0 1 223.320 2.252 20 0 BEADMN C[C@@H]1CCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000620211065 369769429 /nfs/dbraw/zinc/76/94/29/369769429.db2.gz JEXGVBUHNCIKOS-MRVPVSSYSA-N 0 1 247.323 2.373 20 0 BEADMN Cc1cccc2c1CCC[C@H]2NC(=O)CN(C)C ZINC000620676438 369975951 /nfs/dbraw/zinc/97/59/51/369975951.db2.gz PLIQOJZSAODYJO-CQSZACIVSA-N 0 1 246.354 2.050 20 0 BEADMN CCc1noc(CN(C)C(C)(C)CC)n1 ZINC000074320481 369936745 /nfs/dbraw/zinc/93/67/45/369936745.db2.gz RSEXMWBZPBEHIC-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN CN(C)c1ccncc1C(=O)NC1CC(C)(C)C1 ZINC000620741151 369987349 /nfs/dbraw/zinc/98/73/49/369987349.db2.gz ALXWDZVBZNGYQO-UHFFFAOYSA-N 0 1 247.342 2.066 20 0 BEADMN CC12CC(C1)CN2C(=O)c1cccc2[nH]cnc21 ZINC000621215091 370159384 /nfs/dbraw/zinc/15/93/84/370159384.db2.gz WHUDONSRIKIUKG-UHFFFAOYSA-N 0 1 241.294 2.187 20 0 BEADMN CC1(C)CC(Sc2n[n-]c(=[NH2+])n2C2CC2)C1 ZINC000631008424 370215958 /nfs/dbraw/zinc/21/59/58/370215958.db2.gz LOIMRLMOBUTCSH-UHFFFAOYSA-N 0 1 238.360 2.306 20 0 BEADMN CO[C@H](C)CN(C)Cc1cncc(Cl)c1 ZINC000621294840 370220166 /nfs/dbraw/zinc/22/01/66/370220166.db2.gz PCMCDNTYKVTBBI-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@H]2CS3)ccn1 ZINC000621301285 370230510 /nfs/dbraw/zinc/23/05/10/370230510.db2.gz SGWQZOGXYMONNE-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCC(F)(F)F)C1CCC1 ZINC000309672964 370242281 /nfs/dbraw/zinc/24/22/81/370242281.db2.gz KQLNPTJAHWFZJU-ZETCQYMHSA-N 0 1 239.237 2.266 20 0 BEADMN COCC1(N(C)Cc2cncc(Cl)c2)CC1 ZINC000621271095 370202639 /nfs/dbraw/zinc/20/26/39/370202639.db2.gz WXSMKCSCUOCZKL-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1csc(NC(=O)c2[nH]c(C)nc2C)n1 ZINC000621342174 370274590 /nfs/dbraw/zinc/27/45/90/370274590.db2.gz LMWBUQAOXKTWDJ-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CCCC[C@H](C(=O)N1CCN[C@H](C)C1)C(C)C ZINC000621622949 370408146 /nfs/dbraw/zinc/40/81/46/370408146.db2.gz RJVASAWOYHVDPI-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nccnc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000621713455 370461131 /nfs/dbraw/zinc/46/11/31/370461131.db2.gz KZFVHCZGWPRHCK-NXEZZACHSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1nccnc1CN1CC[C@]2(CC2(F)F)C1 ZINC000621732300 370487020 /nfs/dbraw/zinc/48/70/20/370487020.db2.gz VYYFFHDEXMPUNB-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN O=C(N[C@H]1CCCC12CCCCC2)c1ncn[nH]1 ZINC000312973046 370557324 /nfs/dbraw/zinc/55/73/24/370557324.db2.gz OJTNOLFCUUHDIW-JTQLQIEISA-N 0 1 248.330 2.038 20 0 BEADMN O=C(N[C@H]1CCCC12CCCCC2)c1nc[nH]n1 ZINC000312973046 370557328 /nfs/dbraw/zinc/55/73/28/370557328.db2.gz OJTNOLFCUUHDIW-JTQLQIEISA-N 0 1 248.330 2.038 20 0 BEADMN CCCC[C@@H](C(=O)NCc1cnc[nH]1)C(C)C ZINC000621876887 370575639 /nfs/dbraw/zinc/57/56/39/370575639.db2.gz LUYRGDVYZWFSSK-GFCCVEGCSA-N 0 1 237.347 2.488 20 0 BEADMN C[C@@H]1CCCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621958496 370621295 /nfs/dbraw/zinc/62/12/95/370621295.db2.gz LHSOKDWBVADUEM-LLVKDONJSA-N 0 1 249.358 2.336 20 0 BEADMN Cc1cc(CNCc2ccc[nH]c2=O)cs1 ZINC000623777928 371089563 /nfs/dbraw/zinc/08/95/63/371089563.db2.gz XMTZAROCNMJIRE-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CC(C)[C@@H](O)CN[C@@H]1CCCc2scnc21 ZINC000623895577 371144105 /nfs/dbraw/zinc/14/41/05/371144105.db2.gz VJILPVPDZNIIJM-ZJUUUORDSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@@H](N[C@H]1CCCc2scnc21)C(C)(C)O ZINC000623933752 371163410 /nfs/dbraw/zinc/16/34/10/371163410.db2.gz QCYPLNNOCBGXIS-BDAKNGLRSA-N 0 1 240.372 2.270 20 0 BEADMN CCC[C@H](C)CCCN1CCN(C)C(=O)[C@H]1C ZINC001642799450 1172406928 /nfs/dbraw/zinc/40/69/28/1172406928.db2.gz UFSRBBAXRLJACR-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc(CNCC(=O)NC2CCCC2)cc1 ZINC000020054926 371224471 /nfs/dbraw/zinc/22/44/71/371224471.db2.gz VLFWALHMXMPHDJ-UHFFFAOYSA-N 0 1 246.354 2.143 20 0 BEADMN CCN1CCN(CCC2CCC2)C(C)(C)C1=O ZINC001642830469 1172408463 /nfs/dbraw/zinc/40/84/63/1172408463.db2.gz TYCCWILHOSYJHM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCSCc1nc([C@H]2CCCN2)no1 ZINC000390788110 371236341 /nfs/dbraw/zinc/23/63/41/371236341.db2.gz ABTKRRKOOVMGCN-MRVPVSSYSA-N 0 1 227.333 2.137 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1ccc(=O)[nH]c1 ZINC000631072817 371349961 /nfs/dbraw/zinc/34/99/61/371349961.db2.gz ZAAYHQIEYKYTAU-QMMMGPOBSA-N 0 1 247.298 2.243 20 0 BEADMN CCO[C@@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000156068312 371353192 /nfs/dbraw/zinc/35/31/92/371353192.db2.gz AVOOTNIUGPTFHT-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000156068312 371353196 /nfs/dbraw/zinc/35/31/96/371353196.db2.gz AVOOTNIUGPTFHT-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCC(F)(F)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000624147873 371343148 /nfs/dbraw/zinc/34/31/48/371343148.db2.gz NMBZGVFTSPTSJX-IVZWLZJFSA-N 0 1 233.302 2.435 20 0 BEADMN CCC(F)(F)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000624147874 371343412 /nfs/dbraw/zinc/34/34/12/371343412.db2.gz NMBZGVFTSPTSJX-OPRDCNLKSA-N 0 1 233.302 2.435 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624222837 371411307 /nfs/dbraw/zinc/41/13/07/371411307.db2.gz HHCFWKABNGQDLM-CYZMBNFOSA-N 0 1 247.342 2.003 20 0 BEADMN Nc1ccnc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000134962317 181763581 /nfs/dbraw/zinc/76/35/81/181763581.db2.gz PRDSWUPPKJOAAQ-RYUDHWBXSA-N 0 1 246.358 2.213 20 0 BEADMN CC[C@H](C)CN1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001642837345 1172413051 /nfs/dbraw/zinc/41/30/51/1172413051.db2.gz HBIRRVQJAHQTCU-STQMWFEESA-N 0 1 240.391 2.223 20 0 BEADMN CC(C)CSCCN[C@H](C)c1ncc[nH]1 ZINC000285494289 371552982 /nfs/dbraw/zinc/55/29/82/371552982.db2.gz AMCRPUVFHFEJLZ-SNVBAGLBSA-N 0 1 227.377 2.450 20 0 BEADMN CC1(C)CCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627370987 371588174 /nfs/dbraw/zinc/58/81/74/371588174.db2.gz SDGIRZLVHVKFJU-JTQLQIEISA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627370588 371588967 /nfs/dbraw/zinc/58/89/67/371588967.db2.gz FLISUSVJZSKDTM-JTQLQIEISA-N 0 1 249.358 2.367 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCc2nc[nH]c2C1 ZINC000627371352 371589718 /nfs/dbraw/zinc/58/97/18/371589718.db2.gz BWVRNDQVJPLQBS-JTQLQIEISA-N 0 1 235.331 2.121 20 0 BEADMN Cc1ccc(CNCCOC(C)(C)C)o1 ZINC000162365576 371665874 /nfs/dbraw/zinc/66/58/74/371665874.db2.gz DXYZBQAAMHPXOV-UHFFFAOYSA-N 0 1 211.305 2.493 20 0 BEADMN CC[C@H](CSC)NCc1nccs1 ZINC000162169812 371623371 /nfs/dbraw/zinc/62/33/71/371623371.db2.gz FFSSXOLGXDBRAN-MRVPVSSYSA-N 0 1 216.375 2.374 20 0 BEADMN C[C@](CO)(NCc1ccncc1)c1ccccc1 ZINC000227212314 371803200 /nfs/dbraw/zinc/80/32/00/371803200.db2.gz ABYMCTQXCQDKQS-OAHLLOKOSA-N 0 1 242.322 2.079 20 0 BEADMN C[C@@](CO)(NCc1ccncc1)c1ccccc1 ZINC000227212303 371803550 /nfs/dbraw/zinc/80/35/50/371803550.db2.gz ABYMCTQXCQDKQS-HNNXBMFYSA-N 0 1 242.322 2.079 20 0 BEADMN CCOC(=O)C1CCC(N[C@H](C)C(F)F)CC1 ZINC000228507427 372039010 /nfs/dbraw/zinc/03/90/10/372039010.db2.gz CWEJGFYJMQFBAP-XNWIYYODSA-N 0 1 249.301 2.352 20 0 BEADMN CCc1[nH]ncc1C(=O)N(C)c1ccccc1 ZINC000058504415 372040495 /nfs/dbraw/zinc/04/04/95/372040495.db2.gz CKRGOVKGPYQUNS-UHFFFAOYSA-N 0 1 229.283 2.249 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)c2ccn[nH]2)C1 ZINC000134133622 372166033 /nfs/dbraw/zinc/16/60/33/372166033.db2.gz WFDVGHJJBKBRNE-ZJUUUORDSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2c2ccco2)on1 ZINC000631159783 372212885 /nfs/dbraw/zinc/21/28/85/372212885.db2.gz XIMJOOBLNKSQDE-GHMZBOCLSA-N 0 1 218.256 2.222 20 0 BEADMN C[C@@H](C[NH+](C)C)NCc1ccc(C(F)F)nc1 ZINC000631135697 372205046 /nfs/dbraw/zinc/20/50/46/372205046.db2.gz GMMGIUPRJKCWDV-VIFPVBQESA-N 0 1 243.301 2.059 20 0 BEADMN CCc1nn(C)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631261603 372267004 /nfs/dbraw/zinc/26/70/04/372267004.db2.gz ZREFUIMRPYFWOY-PSASIEDQSA-N 0 1 247.264 2.023 20 0 BEADMN Cc1ncc([C@@H](C)NCC(C)(C)F)c(C)n1 ZINC000631657515 372482621 /nfs/dbraw/zinc/48/26/21/372482621.db2.gz DQBCYGVEMQYYHF-MRVPVSSYSA-N 0 1 225.311 2.492 20 0 BEADMN CC(C)(F)CN[C@H]1CCCn2nccc21 ZINC000631660419 372487189 /nfs/dbraw/zinc/48/71/89/372487189.db2.gz FMGOZYLQBVAPCZ-VIFPVBQESA-N 0 1 211.284 2.056 20 0 BEADMN CCC[C@H](CCO)N[C@H](C)c1cscn1 ZINC000631670114 372496414 /nfs/dbraw/zinc/49/64/14/372496414.db2.gz TYPDYXSNXGQJHK-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccoc1 ZINC000631719973 372522241 /nfs/dbraw/zinc/52/22/41/372522241.db2.gz PZMKKMMXGFSBGJ-ZKWXMUAHSA-N 0 1 237.221 2.242 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755056 372558087 /nfs/dbraw/zinc/55/80/87/372558087.db2.gz XOOMRGTWTRLOIJ-LQQYEPNUSA-N 0 1 233.237 2.320 20 0 BEADMN O=C(CN1CCCCC1)NC1CCCCCC1 ZINC000014193520 181958709 /nfs/dbraw/zinc/95/87/09/181958709.db2.gz FDBCHMXWBCLMOJ-UHFFFAOYSA-N 0 1 238.375 2.311 20 0 BEADMN O=C(C[C@@H]1C=CCC1)Nc1ccc2[nH]nnc2c1 ZINC000176728043 182014573 /nfs/dbraw/zinc/01/45/73/182014573.db2.gz PSJRPCXVJKASSP-SECBINFHSA-N 0 1 242.282 2.253 20 0 BEADMN C[C@@H]1CSCCN1Cc1cccnc1 ZINC000172435567 372974100 /nfs/dbraw/zinc/97/41/00/372974100.db2.gz JOAMWPHFSFLYJW-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN CC(C)c1nc(CN(C)Cc2ccoc2)n[nH]1 ZINC000428452633 205491114 /nfs/dbraw/zinc/49/11/14/205491114.db2.gz CJHUEFCRNQSBLZ-UHFFFAOYSA-N 0 1 234.303 2.153 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)Cc1ccn[nH]1 ZINC000173256028 373273984 /nfs/dbraw/zinc/27/39/84/373273984.db2.gz BMMCEPOTGKTVID-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN O=C(NCC1CCC1)c1ccc(F)cc1O ZINC000228307866 182144775 /nfs/dbraw/zinc/14/47/75/182144775.db2.gz GQISLSMWUSKCIA-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1Cc1nncn1C ZINC000173712079 373880589 /nfs/dbraw/zinc/88/05/89/373880589.db2.gz BYEHEZCNQHJRLK-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN CCC(C)(C)CCNC(=O)Cc1cc(C)n[nH]1 ZINC000633968969 373868106 /nfs/dbraw/zinc/86/81/06/373868106.db2.gz CJTMTIHNPFDFHN-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN CC[C@@H](C(=O)Nc1ccsc1C)N(C)C ZINC000634216047 374029152 /nfs/dbraw/zinc/02/91/52/374029152.db2.gz MRMGFFIILRXQJI-JTQLQIEISA-N 0 1 226.345 2.335 20 0 BEADMN Cc1nc(C)c(CNCCC(F)(F)F)o1 ZINC000381898421 374156354 /nfs/dbraw/zinc/15/63/54/374156354.db2.gz UGUNQCLGHJSWJP-UHFFFAOYSA-N 0 1 222.210 2.333 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)n[nH]1 ZINC000174267555 374169156 /nfs/dbraw/zinc/16/91/56/374169156.db2.gz HKOUGAXMSOCNOC-PHIMTYICSA-N 0 1 247.342 2.090 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H](C2CCC2)CC1 ZINC000634521411 374287843 /nfs/dbraw/zinc/28/78/43/374287843.db2.gz LEYDIWZUXNEAFR-LBPRGKRZSA-N 0 1 247.342 2.452 20 0 BEADMN C[C@H](Cc1nc(C2(N)CCC2)no1)C(F)(F)F ZINC000634556001 374313540 /nfs/dbraw/zinc/31/35/40/374313540.db2.gz BSIKSNZUYJVOEX-ZCFIWIBFSA-N 0 1 249.236 2.148 20 0 BEADMN CCC[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000042975686 374313783 /nfs/dbraw/zinc/31/37/83/374313783.db2.gz SFMDKOLKGYOHOK-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN NC1(c2noc(C3(C(F)F)CCC3)n2)CCC1 ZINC000634556233 374314561 /nfs/dbraw/zinc/31/45/61/374314561.db2.gz LPSXGRPFMXAYNN-UHFFFAOYSA-N 0 1 243.257 2.094 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@H](OC)C2)o1 ZINC000428238832 206054184 /nfs/dbraw/zinc/05/41/84/206054184.db2.gz FEVNAGFOEXCBGQ-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN c1c[nH]c([C@@H]2CCCCN2CC[C@@H]2CCOC2)n1 ZINC000437717049 206070842 /nfs/dbraw/zinc/07/08/42/206070842.db2.gz LLTQUNFCBXYYFT-OLZOCXBDSA-N 0 1 249.358 2.363 20 0 BEADMN CCCc1nc(C)c(CN(C)CC[C@H](C)O)o1 ZINC000428242674 206058677 /nfs/dbraw/zinc/05/86/77/206058677.db2.gz WDFYSRMJQAILSZ-JTQLQIEISA-N 0 1 240.347 2.138 20 0 BEADMN CCc1ccc(CN[C@H](CC)[C@H](O)C(F)F)o1 ZINC000449425833 206098153 /nfs/dbraw/zinc/09/81/53/206098153.db2.gz SWELSVNOJKAOIE-MNOVXSKESA-N 0 1 247.285 2.336 20 0 BEADMN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)C(F)(F)F ZINC000263699188 182344693 /nfs/dbraw/zinc/34/46/93/182344693.db2.gz RVFOWBMOSZTUFV-IUCAKERBSA-N 0 1 247.191 2.360 20 0 BEADMN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000263699182 182343756 /nfs/dbraw/zinc/34/37/56/182343756.db2.gz RVFOWBMOSZTUFV-BDAKNGLRSA-N 0 1 247.191 2.360 20 0 BEADMN Cc1cc(CNCC[C@H]2CCCCO2)no1 ZINC000459467856 206128852 /nfs/dbraw/zinc/12/88/52/206128852.db2.gz QPAUIERTPJXVES-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCCCO2)no1 ZINC000459467857 206127597 /nfs/dbraw/zinc/12/75/97/206127597.db2.gz QPAUIERTPJXVES-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN O=C(Nc1cc[nH]n1)c1ccc(O)c(Cl)c1 ZINC000042413899 182351392 /nfs/dbraw/zinc/35/13/92/182351392.db2.gz WQJOZVLKPMZXKJ-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1cc[nH]n1)c1ccc(Cl)cc1O ZINC000042413945 182351713 /nfs/dbraw/zinc/35/17/13/182351713.db2.gz NYUIISXHZLQIDZ-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1cc[nH]n1)c1cc(Cl)ccc1O ZINC000042413984 182351717 /nfs/dbraw/zinc/35/17/17/182351717.db2.gz UXKAOSZZUYXIDG-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN CCC(O)(CC)CCNCc1cc(C)on1 ZINC000459497105 206129770 /nfs/dbraw/zinc/12/97/70/206129770.db2.gz RBRXNXQZHLVTIS-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN Cc1cn[nH]c1CSc1ccccn1 ZINC001643402655 1172462554 /nfs/dbraw/zinc/46/25/54/1172462554.db2.gz ZQWZBMFHDAKNJQ-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCCCO1 ZINC000269458649 182365292 /nfs/dbraw/zinc/36/52/92/182365292.db2.gz MKPYWKFNEZFRIT-LBPRGKRZSA-N 0 1 245.282 2.071 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CC1(F)F ZINC000294740423 182365928 /nfs/dbraw/zinc/36/59/28/182365928.db2.gz OGJHWTCTEJAWNC-ZETCQYMHSA-N 0 1 237.209 2.157 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(F)c[nH]1 ZINC000339343317 182366616 /nfs/dbraw/zinc/36/66/16/182366616.db2.gz JSCWUEHTUYOIMZ-UHFFFAOYSA-N 0 1 244.229 2.282 20 0 BEADMN O=C(Nc1ccccc1)[C@H]1CCCN1C1CC1 ZINC000279669446 182377289 /nfs/dbraw/zinc/37/72/89/182377289.db2.gz FLIGKLCBSYIVDY-CYBMUJFWSA-N 0 1 230.311 2.252 20 0 BEADMN O=C(NCC[C@@H]1CC=CCC1)c1[nH]ncc1F ZINC001643645682 1172481873 /nfs/dbraw/zinc/48/18/73/1172481873.db2.gz HHALGIWPJMXYBJ-SECBINFHSA-N 0 1 237.278 2.025 20 0 BEADMN C(SC[C@H]1CCCO1)c1n[nH]c(C2CC2)n1 ZINC000191765461 259578826 /nfs/dbraw/zinc/57/88/26/259578826.db2.gz FEFXTJRVADXGGZ-SECBINFHSA-N 0 1 239.344 2.094 20 0 BEADMN c1n[nH]nc1SC[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001643736849 1172490948 /nfs/dbraw/zinc/49/09/48/1172490948.db2.gz XRPRFDGTDWQRFP-UTLUCORTSA-N 0 1 221.329 2.499 20 0 BEADMN O=C1C[C@@H]([C@@H]2CCCCN2Cc2cocn2)CN1 ZINC000330334742 183026679 /nfs/dbraw/zinc/02/66/79/183026679.db2.gz QYAQUOSLZDTNNM-PWSUYJOCSA-N 0 1 249.314 2.006 20 0 BEADMN OC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000289514466 183029663 /nfs/dbraw/zinc/02/96/63/183029663.db2.gz FPHZGWFCDNILOR-UHFFFAOYSA-N 0 1 247.338 2.185 20 0 BEADMN OC1CC(CCNCc2ncc(Cl)s2)C1 ZINC000336742581 183025566 /nfs/dbraw/zinc/02/55/66/183025566.db2.gz XCFRPJQJHPRQJL-UHFFFAOYSA-N 0 1 246.763 2.047 20 0 BEADMN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cocn2)CN1 ZINC000330334741 183026230 /nfs/dbraw/zinc/02/62/30/183026230.db2.gz QYAQUOSLZDTNNM-JQWIXIFHSA-N 0 1 249.314 2.006 20 0 BEADMN O=C1C[C@H]([C@@H]2CCCCN2Cc2cocn2)CN1 ZINC000330334741 183026231 /nfs/dbraw/zinc/02/62/31/183026231.db2.gz QYAQUOSLZDTNNM-JQWIXIFHSA-N 0 1 249.314 2.006 20 0 BEADMN OCC(F)(F)CN[C@@H]1CCCC[C@H]1C1CC1 ZINC000309629048 183035673 /nfs/dbraw/zinc/03/56/73/183035673.db2.gz JWTZLZHOTAWNEU-WDEREUQCSA-N 0 1 233.302 2.172 20 0 BEADMN OCCCN1CCc2cccc(Cl)c2C1 ZINC000334798242 183056088 /nfs/dbraw/zinc/05/60/88/183056088.db2.gz SDOCIMHAJOOMBH-UHFFFAOYSA-N 0 1 225.719 2.081 20 0 BEADMN OCCCNCc1c(Cl)cccc1Cl ZINC000015416545 183058365 /nfs/dbraw/zinc/05/83/65/183058365.db2.gz CZYXNOROHQTQHL-UHFFFAOYSA-N 0 1 234.126 2.465 20 0 BEADMN OCCN(Cc1nccs1)C1CCCCC1 ZINC000087396312 183072106 /nfs/dbraw/zinc/07/21/06/183072106.db2.gz PEPNZXUOALJRTM-UHFFFAOYSA-N 0 1 240.372 2.270 20 0 BEADMN OCC[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000310331732 183092655 /nfs/dbraw/zinc/09/26/55/183092655.db2.gz YWEZZLXKORTKKO-JTQLQIEISA-N 0 1 241.281 2.312 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cc(F)ccc1F ZINC000336690437 183093711 /nfs/dbraw/zinc/09/37/11/183093711.db2.gz GYBHQLZJHPUPLV-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@@H]1CCCN1Cc1cccc(O)c1Cl ZINC000295360888 183120972 /nfs/dbraw/zinc/12/09/72/183120972.db2.gz NSBHVXVZMNWCEU-JTQLQIEISA-N 0 1 241.718 2.002 20 0 BEADMN OC[C@H](CC(F)(F)F)NCc1ccsc1 ZINC000336742382 183136116 /nfs/dbraw/zinc/13/61/16/183136116.db2.gz WXZSKJSGDDCCAJ-QMMMGPOBSA-N 0 1 239.262 2.151 20 0 BEADMN OC[C@H]1CCCN1Cc1cc(Cl)cs1 ZINC000194322606 183151245 /nfs/dbraw/zinc/15/12/45/183151245.db2.gz AOYBSGDOLBAJHM-SECBINFHSA-N 0 1 231.748 2.358 20 0 BEADMN OC[C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000051886894 183154158 /nfs/dbraw/zinc/15/41/58/183154158.db2.gz QLTKFKXHTPEHSI-VIFPVBQESA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@]1(F)CCCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000291105840 183157302 /nfs/dbraw/zinc/15/73/02/183157302.db2.gz JUYOUTMPZNHKOT-ILXRZTDVSA-N 0 1 249.329 2.339 20 0 BEADMN O[C@@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000070880841 183179028 /nfs/dbraw/zinc/17/90/28/183179028.db2.gz UVAVKWDSVJBANQ-LBPRGKRZSA-N 0 1 243.709 2.340 20 0 BEADMN O[C@@H](CNCc1ccco1)c1ccsc1 ZINC000164290879 183180549 /nfs/dbraw/zinc/18/05/49/183180549.db2.gz JYKMDYLRVDSARW-NSHDSACASA-N 0 1 223.297 2.164 20 0 BEADMN CCCN(CC(=O)N1CCC1)Cc1ccccc1 ZINC000298280834 169092941 /nfs/dbraw/zinc/09/29/41/169092941.db2.gz NCYSTSQQGRIVPD-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN CCCN(CC(=O)N(C)C)Cc1cccs1 ZINC000098133692 169093060 /nfs/dbraw/zinc/09/30/60/169093060.db2.gz LGBLQUVOXMMYPO-UHFFFAOYSA-N 0 1 240.372 2.048 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1F ZINC000032014934 169098482 /nfs/dbraw/zinc/09/84/82/169098482.db2.gz CFHLJBQPUDJPPJ-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CCCN(CC)Cc1nc(-c2ccccn2)no1 ZINC000377466022 169129010 /nfs/dbraw/zinc/12/90/10/169129010.db2.gz VCGCMLZBLZQHNN-UHFFFAOYSA-N 0 1 246.314 2.364 20 0 BEADMN CCCN(CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000270799095 169132823 /nfs/dbraw/zinc/13/28/23/169132823.db2.gz TWZRRVHBZOTMTM-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN CCCN(CCCCF)CC(=O)OCC ZINC000308831110 169154167 /nfs/dbraw/zinc/15/41/67/169154167.db2.gz UHQKNWHDMUGFIS-UHFFFAOYSA-N 0 1 219.300 2.011 20 0 BEADMN CCCN(CCCSC)[C@H](C)C(=O)OCC ZINC000340203279 169156723 /nfs/dbraw/zinc/15/67/23/169156723.db2.gz QQIKHGRAIUOFQU-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN Oc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000335312737 183291578 /nfs/dbraw/zinc/29/15/78/183291578.db2.gz IAPMNRHEDNQUQG-NWDGAFQWSA-N 0 1 209.264 2.372 20 0 BEADMN [O-]c1cccc(C[NH2+]C[C@H]2CCOC2)c1Cl ZINC000294037927 183292151 /nfs/dbraw/zinc/29/21/51/183292151.db2.gz ILOXMLWMQQKDON-SECBINFHSA-N 0 1 241.718 2.172 20 0 BEADMN CCC[N@@H+](CCc1ccc(C)cc1)CC(=O)[O-] ZINC000184919375 169170401 /nfs/dbraw/zinc/17/04/01/169170401.db2.gz IFLXIMTYZLILQA-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN c1c[nH]c(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000289373727 183325552 /nfs/dbraw/zinc/32/55/52/183325552.db2.gz IMJMNBRTQOCGFX-LLVKDONJSA-N 0 1 205.305 2.032 20 0 BEADMN c1c[nH]c([C@H]2CCCCN2CC2CC2)n1 ZINC000152060997 183327235 /nfs/dbraw/zinc/32/72/35/183327235.db2.gz KOJWVDWEJKSKPC-LLVKDONJSA-N 0 1 205.305 2.347 20 0 BEADMN c1c[nH]c([C@H](N[C@H]2CCOC2)C2CCCCC2)n1 ZINC000353629376 183328158 /nfs/dbraw/zinc/32/81/58/183328158.db2.gz FOGJTIHBEKCVSB-QWHCGFSZSA-N 0 1 249.358 2.410 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000124124379 169199819 /nfs/dbraw/zinc/19/98/19/169199819.db2.gz CGUXEXOMLXSSMN-LBPRGKRZSA-N 0 1 247.342 2.203 20 0 BEADMN O=c1nc(C2CCOCC2)[nH]c2ccsc21 ZINC000287248316 183308263 /nfs/dbraw/zinc/30/82/63/183308263.db2.gz PFQHQLFBGZUHKP-UHFFFAOYSA-N 0 1 236.296 2.291 20 0 BEADMN CCCN1CCN(C(=O)C2=CCCCC2)CC1 ZINC000353345083 169201193 /nfs/dbraw/zinc/20/11/93/169201193.db2.gz JTEWSKSXENDAKW-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CCCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000184645930 169203215 /nfs/dbraw/zinc/20/32/15/169203215.db2.gz MFJJRJIRYVXYRB-NSHDSACASA-N 0 1 239.388 2.232 20 0 BEADMN c1cc(CN2CCC([C@H]3CCCO3)CC2)on1 ZINC000336403924 183340171 /nfs/dbraw/zinc/34/01/71/183340171.db2.gz CYOJFZUQVQUAKE-CYBMUJFWSA-N 0 1 236.315 2.066 20 0 BEADMN CCCNC(=O)CNCc1ccc2occc2c1 ZINC000285557635 169228027 /nfs/dbraw/zinc/22/80/27/169228027.db2.gz VCBPDECMYVUKFU-UHFFFAOYSA-N 0 1 246.310 2.049 20 0 BEADMN CCCNC(=O)CN[C@H](CC)c1ccsc1 ZINC000294153432 169229021 /nfs/dbraw/zinc/22/90/21/169229021.db2.gz AFHJPWIXTFZCNC-LLVKDONJSA-N 0 1 240.372 2.315 20 0 BEADMN c1cc(CN2CCC[C@H](C3CC3)C2)no1 ZINC000289473253 183342031 /nfs/dbraw/zinc/34/20/31/183342031.db2.gz RDPQOGNIPTVPLK-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN c1cc(CNc2cc3c(cn2)CCCC3)ccn1 ZINC000336499941 183349009 /nfs/dbraw/zinc/34/90/09/183349009.db2.gz MTEVRBHVADTOFE-UHFFFAOYSA-N 0 1 239.322 2.389 20 0 BEADMN c1cc(CNCc2n[nH]c(C3CC3)n2)cs1 ZINC000294897188 183352266 /nfs/dbraw/zinc/35/22/66/183352266.db2.gz WYVKSNVIEAJJII-UHFFFAOYSA-N 0 1 234.328 2.033 20 0 BEADMN c1cc(CN2CC[C@H](Cc3ccncc3)C2)no1 ZINC000359871461 183355301 /nfs/dbraw/zinc/35/53/01/183355301.db2.gz NAEWSAJFRPIJPZ-CYBMUJFWSA-N 0 1 243.310 2.134 20 0 BEADMN c1cc([C@H]2CCCN2CC2OCCO2)cs1 ZINC000272057105 183364366 /nfs/dbraw/zinc/36/43/66/183364366.db2.gz IDLDPDLKUFZPKW-LLVKDONJSA-N 0 1 239.340 2.258 20 0 BEADMN c1nnc(-c2ccccc2OCC2CC2)[nH]1 ZINC000165367976 183384705 /nfs/dbraw/zinc/38/47/05/183384705.db2.gz PPZKXNAUWJALRV-UHFFFAOYSA-N 0 1 215.256 2.261 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ccncc2)no1 ZINC000109498366 169288543 /nfs/dbraw/zinc/28/85/43/169288543.db2.gz WCPBBLJYPUIVSQ-SECBINFHSA-N 0 1 232.287 2.192 20 0 BEADMN CCCN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000070131080 169276536 /nfs/dbraw/zinc/27/65/36/169276536.db2.gz CFJFPHFUFVOJGL-QMMMGPOBSA-N 0 1 211.309 2.428 20 0 BEADMN CCCONC(=O)C(C)(C)c1ccccc1 ZINC000085262365 169310770 /nfs/dbraw/zinc/31/07/70/169310770.db2.gz KOCFHLFBSHYHBQ-UHFFFAOYSA-N 0 1 221.300 2.422 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000036791182 169364335 /nfs/dbraw/zinc/36/43/35/169364335.db2.gz FYFNXHMAEBZCMY-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN CCC[C@@H](C)[N@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000338314369 169364696 /nfs/dbraw/zinc/36/46/96/169364696.db2.gz ISZXQKWKMQJWRU-SNVBAGLBSA-N 0 1 237.347 2.365 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000338314369 169364698 /nfs/dbraw/zinc/36/46/98/169364698.db2.gz ISZXQKWKMQJWRU-SNVBAGLBSA-N 0 1 237.347 2.365 20 0 BEADMN CCC[C@@H](C(=O)NCc1cn[nH]c1C)C(C)C ZINC000179622139 169345507 /nfs/dbraw/zinc/34/55/07/169345507.db2.gz DJZUFYGFQVBXFW-GFCCVEGCSA-N 0 1 237.347 2.407 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000051322654 169357987 /nfs/dbraw/zinc/35/79/87/169357987.db2.gz KNYPLPACIKXTBY-NXEZZACHSA-N 0 1 201.310 2.075 20 0 BEADMN CCC[C@@H](CCO)CN[C@H](C)c1cc(C)on1 ZINC000340491910 169383158 /nfs/dbraw/zinc/38/31/58/169383158.db2.gz TUKBVMGYWTXKHB-NEPJUHHUSA-N 0 1 240.347 2.432 20 0 BEADMN CCC[C@@H](CNCc1nc(C)cs1)OC ZINC000293772048 169385252 /nfs/dbraw/zinc/38/52/52/169385252.db2.gz VYSPPSXKMUWOHQ-JTQLQIEISA-N 0 1 228.361 2.356 20 0 BEADMN CO[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179668466 134322838 /nfs/dbraw/zinc/32/28/38/134322838.db2.gz QHQQFHQAJXGQNE-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CCC[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000095040923 169397822 /nfs/dbraw/zinc/39/78/22/169397822.db2.gz AMTUSRWYXBJSLT-LLVKDONJSA-N 0 1 244.298 2.076 20 0 BEADMN CCC[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000095040923 169397824 /nfs/dbraw/zinc/39/78/24/169397824.db2.gz AMTUSRWYXBJSLT-LLVKDONJSA-N 0 1 244.298 2.076 20 0 BEADMN CCOCCN(C)Cc1c[nH]nc1C(C)(C)C ZINC000181482940 134336955 /nfs/dbraw/zinc/33/69/55/134336955.db2.gz DZQJJFJAQINWEQ-UHFFFAOYSA-N 0 1 239.363 2.176 20 0 BEADMN OC1(CN2CCn3cccc3C2)CCCCCC1 ZINC001644435856 1172556251 /nfs/dbraw/zinc/55/62/51/1172556251.db2.gz JRHMSDSMXGKGPI-UHFFFAOYSA-N 0 1 248.370 2.389 20 0 BEADMN CCC[C@H](CNCc1cc(F)ncc1F)OC ZINC000295148182 169499208 /nfs/dbraw/zinc/49/92/08/169499208.db2.gz QTTANIOALMVEKY-SNVBAGLBSA-N 0 1 244.285 2.265 20 0 BEADMN C[C@H]1C[C@@H](NCc2ncc(Cl)s2)CCO1 ZINC000225379311 134355151 /nfs/dbraw/zinc/35/51/51/134355151.db2.gz UJSGHCBZPMGJSX-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN CC(C)(C)SCCN[C@@H]1CCn2ccnc21 ZINC000296260662 166690286 /nfs/dbraw/zinc/69/02/86/166690286.db2.gz BLKMTGPRLDLQPD-SNVBAGLBSA-N 0 1 239.388 2.449 20 0 BEADMN C[C@@H](O)[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC001644873948 1172616167 /nfs/dbraw/zinc/61/61/67/1172616167.db2.gz YNNNTDUHUHXSLK-NXEZZACHSA-N 0 1 234.299 2.029 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)C(F)F)o1 ZINC000226575280 134366418 /nfs/dbraw/zinc/36/64/18/134366418.db2.gz ISAYJGNYGRLFBG-FKTZTGRPSA-N 0 1 245.269 2.119 20 0 BEADMN CC[C@H](C)[C@H](OC)c1nc([C@H]2CCCN2)no1 ZINC000647146031 383849541 /nfs/dbraw/zinc/84/95/41/383849541.db2.gz LNMVZRNFXIICFO-AEJSXWLSSA-N 0 1 239.319 2.228 20 0 BEADMN Cn1nccc1CNCc1ccc(Cl)s1 ZINC000070125068 383863369 /nfs/dbraw/zinc/86/33/69/383863369.db2.gz QNFDQFPYQVPXMI-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000111659906 383872556 /nfs/dbraw/zinc/87/25/56/383872556.db2.gz JXRULFMCIPAPLB-UONOGXRCSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](NCc1ncc(Cl)s1)[C@@H](O)CC ZINC000313097106 383873695 /nfs/dbraw/zinc/87/36/95/383873695.db2.gz RVVNFSSWJWJFIL-SFYZADRCSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@@H](O)[C@H](CC)NCc1ncc(Cl)s1 ZINC000313097105 383874826 /nfs/dbraw/zinc/87/48/26/383874826.db2.gz RVVNFSSWJWJFIL-JGVFFNPUSA-N 0 1 248.779 2.436 20 0 BEADMN FC1(F)CC(Cc2nc([C@H]3CCCN3)no2)C1 ZINC000647144060 383831720 /nfs/dbraw/zinc/83/17/20/383831720.db2.gz LNMVMVBBMLHDHT-MRVPVSSYSA-N 0 1 243.257 2.082 20 0 BEADMN Cc1ccc(CNCc2ccnn2C)cc1F ZINC000067667222 383934491 /nfs/dbraw/zinc/93/44/91/383934491.db2.gz YJRVWLGITMFOPU-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1nc(CN2CC[C@H](O)C2(C)C)sc1C ZINC000309359322 383911137 /nfs/dbraw/zinc/91/11/37/383911137.db2.gz OKYQOWXLLBYCKT-JTQLQIEISA-N 0 1 240.372 2.105 20 0 BEADMN Cc1nc(CN2CC[C@@H](O)C2(C)C)sc1C ZINC000309359325 383911290 /nfs/dbraw/zinc/91/12/90/383911290.db2.gz OKYQOWXLLBYCKT-SNVBAGLBSA-N 0 1 240.372 2.105 20 0 BEADMN CC[C@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000067182924 383915321 /nfs/dbraw/zinc/91/53/21/383915321.db2.gz ZASFEUXLPURYJD-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN [O-]c1ccc(F)cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647147685 383883464 /nfs/dbraw/zinc/88/34/64/383883464.db2.gz XTDGNZSELQIVEJ-SECBINFHSA-N 0 1 249.245 2.006 20 0 BEADMN C1=CC[C@@H](c2nc([C@H]3CCCN3)no2)CC1 ZINC000647148168 383893114 /nfs/dbraw/zinc/89/31/14/383893114.db2.gz ILELJGBSMCSCOL-NXEZZACHSA-N 0 1 219.288 2.318 20 0 BEADMN C1=C[C@@H](Cc2nc([C@H]3CCCN3)no2)CC1 ZINC000647148552 383895011 /nfs/dbraw/zinc/89/50/11/383895011.db2.gz PWJSSPPMXYYHIT-NXEZZACHSA-N 0 1 219.288 2.003 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@@H]1CCCCO1 ZINC000066864545 383896750 /nfs/dbraw/zinc/89/67/50/383896750.db2.gz MVEVJRJCLGPPQK-OLZOCXBDSA-N 0 1 234.343 2.434 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2CCC[C@@H]2C)[nH]1 ZINC000187691319 383985518 /nfs/dbraw/zinc/98/55/18/383985518.db2.gz GDKQWOGBMZOYBJ-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2CCC[C@@H]2C)n1 ZINC000187691319 383985525 /nfs/dbraw/zinc/98/55/25/383985525.db2.gz GDKQWOGBMZOYBJ-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(F)F ZINC000449364813 383991527 /nfs/dbraw/zinc/99/15/27/383991527.db2.gz UJUBUVYZYQVSTE-KKZNHRDASA-N 0 1 232.318 2.245 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCn2cncc2C1 ZINC000569416420 383997682 /nfs/dbraw/zinc/99/76/82/383997682.db2.gz URQBELVGSIRPQF-LLVKDONJSA-N 0 1 247.367 2.391 20 0 BEADMN CCOCCNCc1nn(CC)c2ccccc12 ZINC000089174133 383940400 /nfs/dbraw/zinc/94/04/00/383940400.db2.gz PZUHFOIYMUJSOR-UHFFFAOYSA-N 0 1 247.342 2.182 20 0 BEADMN Cn1ccnc1CN1CCCC(C)(C)C1 ZINC000112701873 383940836 /nfs/dbraw/zinc/94/08/36/383940836.db2.gz YOIFKQKSDPRZSX-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CCC[C@H](CN[C@@H]1C[C@H](C)n2ccnc21)OC ZINC000345345989 383942290 /nfs/dbraw/zinc/94/22/90/383942290.db2.gz BYZGXHQMOYFSTE-QJPTWQEYSA-N 0 1 237.347 2.294 20 0 BEADMN CC[C@@H](COC)N[C@@H](C)c1nccs1 ZINC000070634045 383948398 /nfs/dbraw/zinc/94/83/98/383948398.db2.gz LXESLTSOORPBHG-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN c1cc(CN2CC[C@@H](Oc3ccccc3)C2)on1 ZINC000363408649 383955767 /nfs/dbraw/zinc/95/57/67/383955767.db2.gz SWPCSRJOULUJEV-CYBMUJFWSA-N 0 1 244.294 2.328 20 0 BEADMN COC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000345353354 383956970 /nfs/dbraw/zinc/95/69/70/383956970.db2.gz KEMOBDHZBVNBGQ-UTUOFQBUSA-N 0 1 237.347 2.150 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2CO[C@H](C)C2)o1 ZINC000647212794 383957099 /nfs/dbraw/zinc/95/70/99/383957099.db2.gz XTTLSFYNPZMEHP-KOLCDFICSA-N 0 1 238.331 2.203 20 0 BEADMN C[C@@H](NCC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000037207607 383957251 /nfs/dbraw/zinc/95/72/51/383957251.db2.gz BSULDOYCLOKGNB-SECBINFHSA-N 0 1 240.734 2.079 20 0 BEADMN C[C@H]1OCCN(Cc2ccc3nc[nH]c3c2)[C@H]1C ZINC000538726161 383964052 /nfs/dbraw/zinc/96/40/52/383964052.db2.gz AEALMUDDMFGTJL-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN CO[C@H](CN[C@H](C)c1nccs1)C1CC1 ZINC000293862394 383966401 /nfs/dbraw/zinc/96/64/01/383966401.db2.gz ZAIWRPCXXWPBGX-PSASIEDQSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)[O-])cc1 ZINC000237182664 383976313 /nfs/dbraw/zinc/97/63/13/383976313.db2.gz RDTOOTJHUMOQPT-UHFFFAOYSA-N 0 1 235.327 2.289 20 0 BEADMN c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000090008860 384021846 /nfs/dbraw/zinc/02/18/46/384021846.db2.gz XKZDLXNLCQUFTM-CQSZACIVSA-N 0 1 217.312 2.297 20 0 BEADMN CC(C)[C@](C)(O)CN[C@@H](C)c1nccs1 ZINC000091723799 384022307 /nfs/dbraw/zinc/02/23/07/384022307.db2.gz ZTZYHLVBOSUCJO-GXSJLCMTSA-N 0 1 228.361 2.201 20 0 BEADMN CC(C)[C@](C)(O)CN[C@H](C)c1nccs1 ZINC000091723803 384022632 /nfs/dbraw/zinc/02/26/32/384022632.db2.gz ZTZYHLVBOSUCJO-MWLCHTKSSA-N 0 1 228.361 2.201 20 0 BEADMN CCOc1ccccc1CN1CCCOCC1 ZINC000363436158 384022923 /nfs/dbraw/zinc/02/29/23/384022923.db2.gz DYTLYEKELSUEBE-UHFFFAOYSA-N 0 1 235.327 2.308 20 0 BEADMN CC[C@H](COC)NCc1cn2cccc(C)c2n1 ZINC000090045083 384024399 /nfs/dbraw/zinc/02/43/99/384024399.db2.gz XYFGMKMBZBORRG-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN Fc1cc(CN[C@H]2CCOC2)c(F)cc1Cl ZINC000278609573 384030361 /nfs/dbraw/zinc/03/03/61/384030361.db2.gz ISNFZNLHTKYGJA-QMMMGPOBSA-N 0 1 247.672 2.497 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000090180978 384032903 /nfs/dbraw/zinc/03/29/03/384032903.db2.gz DSUDSZGEVHUYNJ-WDEREUQCSA-N 0 1 248.326 2.002 20 0 BEADMN O=C(CC1CC1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114395845 384035475 /nfs/dbraw/zinc/03/54/75/384035475.db2.gz VSBFJZGQWDEYDP-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN COc1ncncc1CN[C@@H]1C[C@H]1CC(C)C ZINC000647217251 384036382 /nfs/dbraw/zinc/03/63/82/384036382.db2.gz GOQDKEPSKNIBCM-ZYHUDNBSSA-N 0 1 235.331 2.009 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1N ZINC000647156657 384040876 /nfs/dbraw/zinc/04/08/76/384040876.db2.gz KILJSFVHNFCNOD-NSHDSACASA-N 0 1 244.298 2.052 20 0 BEADMN CCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115536725 384085627 /nfs/dbraw/zinc/08/56/27/384085627.db2.gz OHYYPWYHGUWPQP-ZDUSSCGKSA-N 0 1 232.327 2.134 20 0 BEADMN CCN(CC1CC1)C(=O)c1[nH]nc2ccccc21 ZINC000069747030 384061593 /nfs/dbraw/zinc/06/15/93/384061593.db2.gz GOTNFAJWVSTTKD-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN COC[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000077897111 384071020 /nfs/dbraw/zinc/07/10/20/384071020.db2.gz VPCZAOQSJYIMIE-LLVKDONJSA-N 0 1 240.734 2.203 20 0 BEADMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cn[nH]c1 ZINC000560343634 384080750 /nfs/dbraw/zinc/08/07/50/384080750.db2.gz QTUIOEUWESRRKL-RISCZKNCSA-N 0 1 245.326 2.102 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CO[C@@H](C)C2)n1 ZINC000401836143 384094716 /nfs/dbraw/zinc/09/47/16/384094716.db2.gz OVCCHYAMEHRYIK-GUBZILKMSA-N 0 1 226.345 2.280 20 0 BEADMN CCOC[C@@H]1CCC[C@@H]1NC(CF)CF ZINC000449381025 384095330 /nfs/dbraw/zinc/09/53/30/384095330.db2.gz QDANZLGCOVCYOH-ONGXEEELSA-N 0 1 221.291 2.089 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1c(F)cccc1F ZINC000070967690 384146170 /nfs/dbraw/zinc/14/61/70/384146170.db2.gz HWZWGCITUQUDMM-IUCAKERBSA-N 0 1 227.254 2.404 20 0 BEADMN Fc1ccc2c(c1)CCN(CCn1cccn1)C2 ZINC000091892042 384150491 /nfs/dbraw/zinc/15/04/91/384150491.db2.gz USDJZVOTSUDNSL-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Cc1n[nH]c(C)c1C[N@H+]1CCSC(C)(C)C1 ZINC000128086598 384151825 /nfs/dbraw/zinc/15/18/25/384151825.db2.gz YJVLHYJMKAGXPC-UHFFFAOYSA-N 0 1 239.388 2.354 20 0 BEADMN O=C(C1=CCCCC1)N1CCN(C2CCC2)CC1 ZINC000336559662 384138241 /nfs/dbraw/zinc/13/82/41/384138241.db2.gz IRGNCRGBPCSTSQ-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN C[C@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000091730204 384140438 /nfs/dbraw/zinc/14/04/38/384140438.db2.gz CNPBRRNWZLJQDF-RKDXNWHRSA-N 0 1 240.372 2.053 20 0 BEADMN COCc1ccc(CN2C[C@H](C)OC[C@H]2C)cc1 ZINC000092017577 384160138 /nfs/dbraw/zinc/16/01/38/384160138.db2.gz WDQXGURKLAPIKE-OLZOCXBDSA-N 0 1 249.354 2.442 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2(C)CCC2)C1 ZINC000334598662 384179557 /nfs/dbraw/zinc/17/95/57/384179557.db2.gz WVLBYODBFAJACE-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)N(CC(=O)Nc1ccccc1)C1CC1 ZINC000071854450 384184386 /nfs/dbraw/zinc/18/43/86/384184386.db2.gz RYHZFBJHMWXJFJ-UHFFFAOYSA-N 0 1 232.327 2.498 20 0 BEADMN CC[C@@H](CC(=O)N1CCNCC1)c1ccccc1 ZINC000041298022 384187221 /nfs/dbraw/zinc/18/72/21/384187221.db2.gz YBDUINUWYLRQMM-ZDUSSCGKSA-N 0 1 246.354 2.002 20 0 BEADMN Cc1nc(C[N@H+]2CCC[C@@](C)(O)C2)c(C)s1 ZINC000336588174 384189412 /nfs/dbraw/zinc/18/94/12/384189412.db2.gz LFPGWOKYRRWBMC-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1nc(CN2CCC[C@@](C)(O)C2)c(C)s1 ZINC000336588174 384189414 /nfs/dbraw/zinc/18/94/14/384189414.db2.gz LFPGWOKYRRWBMC-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC000520893546 384198772 /nfs/dbraw/zinc/19/87/72/384198772.db2.gz XIFYYUUKOQVLMT-ZYHUDNBSSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC000520893546 384198780 /nfs/dbraw/zinc/19/87/80/384198780.db2.gz XIFYYUUKOQVLMT-ZYHUDNBSSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CCCCO2)CCO1 ZINC000135658079 384233137 /nfs/dbraw/zinc/23/31/37/384233137.db2.gz YTWOZSYBZVVITA-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000132510007 384234413 /nfs/dbraw/zinc/23/44/13/384234413.db2.gz YVLWFXPRQGRUOK-NXEZZACHSA-N 0 1 235.331 2.090 20 0 BEADMN COCc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 ZINC000093418047 384235180 /nfs/dbraw/zinc/23/51/80/384235180.db2.gz HSTZZKOEHVTQBL-OLZOCXBDSA-N 0 1 249.354 2.442 20 0 BEADMN C[C@@H]1CCN(CCOCC2CCC2)C[C@H]1F ZINC000642700230 384212671 /nfs/dbraw/zinc/21/26/71/384212671.db2.gz KPEWAICROFESDJ-DGCLKSJQSA-N 0 1 229.339 2.483 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000082322520 384222960 /nfs/dbraw/zinc/22/29/60/384222960.db2.gz SOVYUSZSNUDVIN-ZDUSSCGKSA-N 0 1 232.327 2.336 20 0 BEADMN C[C@@H](CO)N(C)Cc1ccc(Cl)s1 ZINC000158385021 384225485 /nfs/dbraw/zinc/22/54/85/384225485.db2.gz YKYXXFBKOPVBSP-ZETCQYMHSA-N 0 1 219.737 2.214 20 0 BEADMN CCSCCN(C)Cc1cccnc1 ZINC000119053444 384226588 /nfs/dbraw/zinc/22/65/88/384226588.db2.gz PMBJONHDXFXONN-UHFFFAOYSA-N 0 1 210.346 2.267 20 0 BEADMN CN(CCOCC1CC1)Cc1ccco1 ZINC000158409406 384228051 /nfs/dbraw/zinc/22/80/51/384228051.db2.gz SGZGPYAVHYBKQX-UHFFFAOYSA-N 0 1 209.289 2.138 20 0 BEADMN CC(C)C[C@@H]1COCCN1Cc1ccn(C)c1 ZINC000093340130 384229420 /nfs/dbraw/zinc/22/94/20/384229420.db2.gz HCQVMNMJTHBOLW-CQSZACIVSA-N 0 1 236.359 2.272 20 0 BEADMN CC(C)C[C@H]1COCCN1Cc1cccn1C ZINC000093340339 384229509 /nfs/dbraw/zinc/22/95/09/384229509.db2.gz MHAHTGJWZQSBDA-AWEZNQCLSA-N 0 1 236.359 2.272 20 0 BEADMN CCC1(CO)CCN(Cc2cncs2)CC1 ZINC000093591608 384250330 /nfs/dbraw/zinc/25/03/30/384250330.db2.gz YVALLEVLGOBQDO-UHFFFAOYSA-N 0 1 240.372 2.128 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCC(C)(C)C2)n1 ZINC000132764527 384251133 /nfs/dbraw/zinc/25/11/33/384251133.db2.gz GROHVCBYIIAKCB-UHFFFAOYSA-N 0 1 220.316 2.328 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000569566762 384252107 /nfs/dbraw/zinc/25/21/07/384252107.db2.gz DDQFLPISCGDQEE-USZNOCQGSA-N 0 1 247.342 2.330 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000082718113 384260241 /nfs/dbraw/zinc/26/02/41/384260241.db2.gz QJGBMJXDYVRNGV-QWRGUYRKSA-N 0 1 221.300 2.195 20 0 BEADMN COc1ccnc(CN(C)[C@@H]2CC2(C)C)c1 ZINC000489414065 384261234 /nfs/dbraw/zinc/26/12/34/384261234.db2.gz NCJZXCHSMDZHQD-GFCCVEGCSA-N 0 1 220.316 2.321 20 0 BEADMN CCc1ccc(CNC[C@H](C)[N@@H+](C)C2CC2)o1 ZINC000132946068 384264207 /nfs/dbraw/zinc/26/42/07/384264207.db2.gz QKFZWJZDKWNGEI-NSHDSACASA-N 0 1 236.359 2.414 20 0 BEADMN Cc1cnc(CN2CCC[C@](C)(O)CC2)s1 ZINC000336625477 384264810 /nfs/dbraw/zinc/26/48/10/384264810.db2.gz JSXFYVPENPKCOE-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)co1 ZINC000187514714 384269723 /nfs/dbraw/zinc/26/97/23/384269723.db2.gz QZTYHVAXMGKKIL-GWCFXTLKSA-N 0 1 248.326 2.143 20 0 BEADMN C[C@H](NCc1ccc(CO)cc1)c1ccccn1 ZINC000133030102 384270003 /nfs/dbraw/zinc/27/00/03/384270003.db2.gz OVEAZINTBPQDAQ-LBPRGKRZSA-N 0 1 242.322 2.425 20 0 BEADMN CC(C)C1(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000294045249 384270235 /nfs/dbraw/zinc/27/02/35/384270235.db2.gz XRYSTVZZXFLRIO-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN CN(Cc1c(F)cccc1F)C[C@@H]1CCOC1 ZINC000093840378 384272571 /nfs/dbraw/zinc/27/25/71/384272571.db2.gz AZYDMAFFVDAMHA-JTQLQIEISA-N 0 1 241.281 2.433 20 0 BEADMN Cn1cccc1[C@H]1CCCCN1Cc1cnc[nH]1 ZINC000093845421 384276125 /nfs/dbraw/zinc/27/61/25/384276125.db2.gz SYIIGPYWRMHAME-CQSZACIVSA-N 0 1 244.342 2.475 20 0 BEADMN CCN(CC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000074732603 384303986 /nfs/dbraw/zinc/30/39/86/384303986.db2.gz JPADTBKSOBURNU-UHFFFAOYSA-N 0 1 231.299 2.353 20 0 BEADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@H]1CCCOC1 ZINC000449417785 384304042 /nfs/dbraw/zinc/30/40/42/384304042.db2.gz ZOQRYFMLWWDZLW-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@@H]1CCCOC1 ZINC000449417787 384305351 /nfs/dbraw/zinc/30/53/51/384305351.db2.gz ZOQRYFMLWWDZLW-LPEHRKFASA-N 0 1 221.291 2.435 20 0 BEADMN COC(=O)C1(N(C)CCCSC)CCCC1 ZINC000159201237 384311836 /nfs/dbraw/zinc/31/18/36/384311836.db2.gz YFDVIJNQGYZPPA-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc(F)c1C)N(C)C ZINC000119992327 384321206 /nfs/dbraw/zinc/32/12/06/384321206.db2.gz NWAFCVURTCRUCQ-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN Cc1nccc(N[C@@H]2CO[C@H](C)C2)c1Cl ZINC000335442784 384284332 /nfs/dbraw/zinc/28/43/32/384284332.db2.gz XXCHJSLPJAODGF-APPZFPTMSA-N 0 1 226.707 2.055 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC000304414647 384286869 /nfs/dbraw/zinc/28/68/69/384286869.db2.gz QDOQAPCHDTZKMF-JOYOIKCWSA-N 0 1 237.299 2.131 20 0 BEADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)CN(C)C ZINC000174036302 384294171 /nfs/dbraw/zinc/29/41/71/384294171.db2.gz HPFCGWPPTKTCIJ-AWEZNQCLSA-N 0 1 248.370 2.028 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000119704891 384295215 /nfs/dbraw/zinc/29/52/15/384295215.db2.gz SODFCSGQMHPLEK-AAEUAGOBSA-N 0 1 249.358 2.346 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(CC)o1 ZINC000083411586 384300927 /nfs/dbraw/zinc/30/09/27/384300927.db2.gz RUGMOTNZLABOKR-UHFFFAOYSA-N 0 1 225.288 2.139 20 0 BEADMN C[C@@H](N[C@@H]1CSC1(C)C)c1ccncn1 ZINC000335585744 384346920 /nfs/dbraw/zinc/34/69/20/384346920.db2.gz XBFABLLCNAXVDC-PSASIEDQSA-N 0 1 223.345 2.021 20 0 BEADMN Cc1c(CNCc2ccc(C)c(F)c2)cnn1C ZINC000159657431 384349119 /nfs/dbraw/zinc/34/91/19/384349119.db2.gz OVAOEKRCXBYVTM-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1coc(CN)c1 ZINC000187980323 384353189 /nfs/dbraw/zinc/35/31/89/384353189.db2.gz WEWIPRUQKPFHDI-SNVBAGLBSA-N 0 1 238.331 2.247 20 0 BEADMN Cc1cnc([C@@H](C)N[C@@H](CCO)C(C)C)o1 ZINC000330364060 384362728 /nfs/dbraw/zinc/36/27/28/384362728.db2.gz CRMACULQLJXQRE-MNOVXSKESA-N 0 1 226.320 2.041 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCCC(C)(C)C1 ZINC000084095060 384366876 /nfs/dbraw/zinc/36/68/76/384366876.db2.gz YHLRJVSKCWVSPE-NSHDSACASA-N 0 1 225.332 2.060 20 0 BEADMN Cc1csc(CN2CCC[C@@H]2C[C@@H](C)O)n1 ZINC000159350149 384326007 /nfs/dbraw/zinc/32/60/07/384326007.db2.gz JJPJOQLDJOZOQM-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN CCCCC[C@H]1CCCN1Cc1nncn1C ZINC000536347453 384330217 /nfs/dbraw/zinc/33/02/17/384330217.db2.gz CRVLOXYUTCAVNW-LBPRGKRZSA-N 0 1 236.363 2.360 20 0 BEADMN CCC(CC)[S@@](=O)C=C(O)c1ccc[nH]1 ZINC000108130820 384410189 /nfs/dbraw/zinc/41/01/89/384410189.db2.gz ATUOBVUNLBKJOT-OAHLLOKOSA-N 0 1 227.329 2.135 20 0 BEADMN C[C@@H]1[C@H](NC(=O)C(C)(C)C2CC2)CCC[N@H+]1C ZINC000358985521 384379713 /nfs/dbraw/zinc/37/97/13/384379713.db2.gz UPRHLGNQNCETJJ-ZYHUDNBSSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(C)n1cc(CN2CC(C3CC3)C2)cn1 ZINC000643345325 384381236 /nfs/dbraw/zinc/38/12/36/384381236.db2.gz PLCANTKJZKTYED-UHFFFAOYSA-N 0 1 233.359 2.480 20 0 BEADMN C[C@@H](O)CC[N@@H+](C)CCc1c(F)cccc1F ZINC000402006203 384391204 /nfs/dbraw/zinc/39/12/04/384391204.db2.gz AFNKWWYSAQZWNI-SNVBAGLBSA-N 0 1 243.297 2.210 20 0 BEADMN CSC[C@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC000135475125 384448901 /nfs/dbraw/zinc/44/89/01/384448901.db2.gz VOQDRIULYYQRAD-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN CSC[C@H]1CCCN1Cc1cc(C)on1 ZINC000135475125 384448904 /nfs/dbraw/zinc/44/89/04/384448904.db2.gz VOQDRIULYYQRAD-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCCC(C)(C)C2)[nH]n1 ZINC000135235846 384428866 /nfs/dbraw/zinc/42/88/66/384428866.db2.gz CQSAUZMDZQJRRG-LLVKDONJSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@@H]1C[C@H](O)CN(Cc2ccc(F)c(F)c2)C1 ZINC000334745680 384430451 /nfs/dbraw/zinc/43/04/51/384430451.db2.gz IZXDTRCVQWYKAA-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN COC(=O)c1cccnc1CN(C)CC1CCC1 ZINC000305929694 384436110 /nfs/dbraw/zinc/43/61/10/384436110.db2.gz JLKFZBYWEHUORL-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN CC[C@]1(C)CN(CCc2ccncc2)CCO1 ZINC000135705030 384460720 /nfs/dbraw/zinc/46/07/20/384460720.db2.gz IFXUGQJCPIWCHO-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CCCCCN(Cc1nccc(N)n1)C(C)C ZINC000122228292 384465553 /nfs/dbraw/zinc/46/55/53/384465553.db2.gz FFGSDWWFNSTHEF-UHFFFAOYSA-N 0 1 236.363 2.459 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CCCCO1 ZINC000122587875 384494965 /nfs/dbraw/zinc/49/49/65/384494965.db2.gz OWKNKMDFZYNDEV-ZDUSSCGKSA-N 0 1 220.316 2.083 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(F)c(F)c1 ZINC000335694471 384488637 /nfs/dbraw/zinc/48/86/37/384488637.db2.gz CWKNJJWXWVQSCQ-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1ccc(F)c(F)c1 ZINC000335694473 384488729 /nfs/dbraw/zinc/48/87/29/384488729.db2.gz CWKNJJWXWVQSCQ-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN Nc1ccc(CNC2(c3ccccc3)CC2)cn1 ZINC000647518210 384492958 /nfs/dbraw/zinc/49/29/58/384492958.db2.gz NLBDLXTWPSMQOQ-UHFFFAOYSA-N 0 1 239.322 2.273 20 0 BEADMN COC(CN(Cc1cccs1)C1CC1)OC ZINC000085351382 384519035 /nfs/dbraw/zinc/51/90/35/384519035.db2.gz YHVBIMKSBZESNH-UHFFFAOYSA-N 0 1 241.356 2.331 20 0 BEADMN Cc1ccc(F)cc1C[N@@H+](C)CCCC(=O)[O-] ZINC000097850423 384527282 /nfs/dbraw/zinc/52/72/82/384527282.db2.gz HKNQZSOTAVFKSU-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CC(C)(Cc1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000405771489 384550591 /nfs/dbraw/zinc/55/05/91/384550591.db2.gz MTCAQYYFIUBTFB-JTQLQIEISA-N 0 1 235.331 2.473 20 0 BEADMN CCSCCN[C@@H](C)c1ccon1 ZINC000308282315 384559349 /nfs/dbraw/zinc/55/93/49/384559349.db2.gz YIIYDQYXWLBLPB-QMMMGPOBSA-N 0 1 200.307 2.078 20 0 BEADMN Cc1cnc(CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000183681220 384559569 /nfs/dbraw/zinc/55/95/69/384559569.db2.gz AIGWLGAKGLCTNK-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN FCC1(NCc2ccsc2)CCOCC1 ZINC000449445510 384537306 /nfs/dbraw/zinc/53/73/06/384537306.db2.gz JMGKUDDAJLZKLU-UHFFFAOYSA-N 0 1 229.320 2.356 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000163790625 384541305 /nfs/dbraw/zinc/54/13/05/384541305.db2.gz APNJIYMPJQIXIJ-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN CC[C@H]1CN(CCc2cccnc2)C[C@H](C)O1 ZINC000172165188 384541708 /nfs/dbraw/zinc/54/17/08/384541708.db2.gz ZCDQUKCKCOGEDO-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)CO1 ZINC000402202025 384569617 /nfs/dbraw/zinc/56/96/17/384569617.db2.gz FAMZXXQEHLVPAT-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN CN(C)C(C)(C)C[NH2+]Cc1ccncc1Cl ZINC000084084906 384572233 /nfs/dbraw/zinc/57/22/33/384572233.db2.gz DUCXAJACDHSNJW-UHFFFAOYSA-N 0 1 241.766 2.165 20 0 BEADMN CC[C@H](c1ccncc1)N(C)CC(OC)OC ZINC000162130754 384576564 /nfs/dbraw/zinc/57/65/64/384576564.db2.gz NWSNMGXIVBZERB-GFCCVEGCSA-N 0 1 238.331 2.083 20 0 BEADMN C[C@H](Cn1cccn1)NC/C(Cl)=C/Cl ZINC000085978151 384582706 /nfs/dbraw/zinc/58/27/06/384582706.db2.gz HEDIYIBZZCYNBA-CPJBWDMUSA-N 0 1 234.130 2.180 20 0 BEADMN CC(C)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080872764 384588122 /nfs/dbraw/zinc/58/81/22/384588122.db2.gz UWGWVAVMMXVXCY-UHFFFAOYSA-N 0 1 249.289 2.364 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1cc(=O)c(O)co1)C1CC1 ZINC000123881478 384590082 /nfs/dbraw/zinc/59/00/82/384590082.db2.gz IJXXNFGICHGIGL-SECBINFHSA-N 0 1 249.310 2.108 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1cccnc1Cl ZINC000276899812 384563794 /nfs/dbraw/zinc/56/37/94/384563794.db2.gz IYIWANKSOUJZTM-RKDXNWHRSA-N 0 1 228.723 2.421 20 0 BEADMN CCCn1cc(CN2CCC(CF)CC2)cn1 ZINC000449452754 384604875 /nfs/dbraw/zinc/60/48/75/384604875.db2.gz GRXFWBNSYNAUAR-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN CC[C@H]1COCCN1CCc1scnc1C ZINC000172545040 384605066 /nfs/dbraw/zinc/60/50/66/384605066.db2.gz PNLIUCWNNSCWNW-NSHDSACASA-N 0 1 240.372 2.105 20 0 BEADMN COC(CNC1(c2cccc(F)c2)CC1)OC ZINC000162386311 384612805 /nfs/dbraw/zinc/61/28/05/384612805.db2.gz DBGPPZMQQIZQMY-UHFFFAOYSA-N 0 1 239.290 2.023 20 0 BEADMN COc1ccnc(NCc2cc[nH]c2)c1 ZINC000089805512 384615119 /nfs/dbraw/zinc/61/51/19/384615119.db2.gz NNPIRRBSKSMAIX-UHFFFAOYSA-N 0 1 203.245 2.030 20 0 BEADMN CC(C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184557465 384619905 /nfs/dbraw/zinc/61/99/05/384619905.db2.gz KMHYCUKXDWNQTB-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CC(C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184557465 384619910 /nfs/dbraw/zinc/61/99/10/384619910.db2.gz KMHYCUKXDWNQTB-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1nccs1 ZINC000041012841 384633403 /nfs/dbraw/zinc/63/34/03/384633403.db2.gz IGUHGNPXQQYSAS-ZJUUUORDSA-N 0 1 226.345 2.190 20 0 BEADMN CC/C=C/CCN(C)Cc1cnccn1 ZINC000184604549 384627365 /nfs/dbraw/zinc/62/73/65/384627365.db2.gz YTFLEHBFFVXHFE-SNAWJCMRSA-N 0 1 205.305 2.265 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)[C@@H]1CC12CC2 ZINC000335208768 384629483 /nfs/dbraw/zinc/62/94/83/384629483.db2.gz PDRBUHSGUMETGV-LURJTMIESA-N 0 1 239.221 2.409 20 0 BEADMN C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000124002184 384602465 /nfs/dbraw/zinc/60/24/65/384602465.db2.gz NHCILOQQHYXBAC-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C ZINC000124690317 384667464 /nfs/dbraw/zinc/66/74/64/384667464.db2.gz JMZMNFMNFABSHI-ZDUSSCGKSA-N 0 1 245.326 2.447 20 0 BEADMN CCc1ccccc1NC(=O)[C@@H]1CCCN1C ZINC000082323176 384668840 /nfs/dbraw/zinc/66/88/40/384668840.db2.gz QLNTWYGMDUAANC-ZDUSSCGKSA-N 0 1 232.327 2.282 20 0 BEADMN Cc1nc(CN2CCC[C@H](O)CC2)sc1C ZINC000293142217 384669604 /nfs/dbraw/zinc/66/96/04/384669604.db2.gz NQOYKOCMNOYPOP-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN CC(C)c1ncc(CN2CC[C@H](CO)C2)s1 ZINC000092763196 384670389 /nfs/dbraw/zinc/67/03/89/384670389.db2.gz ONJKJKUBIZRDPP-JTQLQIEISA-N 0 1 240.372 2.081 20 0 BEADMN COC[C@H]1CN(Cc2c(C)cccc2C)CCO1 ZINC000172893157 384636672 /nfs/dbraw/zinc/63/66/72/384636672.db2.gz RDKIAKNKCBOWCZ-CQSZACIVSA-N 0 1 249.354 2.151 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885382 384651555 /nfs/dbraw/zinc/65/15/55/384651555.db2.gz FSMQLLKYISPZNM-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN c1snnc1CN[C@@H]1CCc2ccccc2C1 ZINC000051630845 384675662 /nfs/dbraw/zinc/67/56/62/384675662.db2.gz ONXJUUOKFCDVGX-GFCCVEGCSA-N 0 1 245.351 2.185 20 0 BEADMN CN(Cc1cscn1)C[Si](C)(C)C ZINC000171734763 384656286 /nfs/dbraw/zinc/65/62/86/384656286.db2.gz VGCJIVSZRGGKCT-UHFFFAOYSA-N 0 1 214.410 2.452 20 0 BEADMN C[C@@H](NC[C@@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647280315 384662690 /nfs/dbraw/zinc/66/26/90/384662690.db2.gz FJCKROZSZIJCHQ-YPMHNXCESA-N 0 1 249.358 2.049 20 0 BEADMN Cc1cnc([C@H](C)NCC2=CCCOC2)s1 ZINC000124804792 384677497 /nfs/dbraw/zinc/67/74/97/384677497.db2.gz SNEMXPDSTVVETL-JTQLQIEISA-N 0 1 238.356 2.449 20 0 BEADMN CC(=O)CN(C)CCc1ccc(Cl)cc1 ZINC000258847204 384681025 /nfs/dbraw/zinc/68/10/25/384681025.db2.gz DAVVPQMQRJIWLE-UHFFFAOYSA-N 0 1 225.719 2.403 20 0 BEADMN CCOC(=O)CN(CCC(C)C)C(C)C ZINC000049572823 384683289 /nfs/dbraw/zinc/68/32/89/384683289.db2.gz PLYASDKUKACCGB-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@](C)(CN[C@@H](C)c1nnc(C)s1)OC ZINC000319933078 384684564 /nfs/dbraw/zinc/68/45/64/384684564.db2.gz SWUCJIVCWSXAEZ-KWQFWETISA-N 0 1 243.376 2.312 20 0 BEADMN CC[C@@](C)(CN[C@H](C)c1nnc(C)s1)OC ZINC000319933074 384686790 /nfs/dbraw/zinc/68/67/90/384686790.db2.gz SWUCJIVCWSXAEZ-KCJUWKMLSA-N 0 1 243.376 2.312 20 0 BEADMN CCCCN(CCO)Cc1nc2ccccc2o1 ZINC000049800495 384690915 /nfs/dbraw/zinc/69/09/15/384690915.db2.gz WVHLCOIKDCUZCH-UHFFFAOYSA-N 0 1 248.326 2.422 20 0 BEADMN CCCCNC(=O)CN(C)CCc1ccccc1 ZINC000051998402 384707647 /nfs/dbraw/zinc/70/76/47/384707647.db2.gz NZQWPQYOHNSVRJ-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CCN(CCOC)Cc1ccnc(Cl)c1 ZINC000051606370 384709644 /nfs/dbraw/zinc/70/96/44/384709644.db2.gz ZXRIJZVEUOWTKI-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1nccn1C(F)F ZINC000309918389 384715872 /nfs/dbraw/zinc/71/58/72/384715872.db2.gz QPXRRQBEYBCSPN-JGVFFNPUSA-N 0 1 247.314 2.262 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)n[nH]1 ZINC000185404919 384719445 /nfs/dbraw/zinc/71/94/45/384719445.db2.gz PIQJYHWABYAXQW-SKDRFNHKSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C(=O)NC2CC2)cc1 ZINC000102672379 384722072 /nfs/dbraw/zinc/72/20/72/384722072.db2.gz SOUOAPBZIMRHDT-GFCCVEGCSA-N 0 1 246.354 2.094 20 0 BEADMN CCC[C@H]1CCCCN1Cc1nccc(N)n1 ZINC000185855354 384774406 /nfs/dbraw/zinc/77/44/06/384774406.db2.gz DZXJJXSVVNPANC-NSHDSACASA-N 0 1 234.347 2.213 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOC3)cc(C)c1O ZINC000556982147 384732995 /nfs/dbraw/zinc/73/29/95/384732995.db2.gz OENVIACHZKWMSN-UHFFFAOYSA-N 0 1 247.338 2.231 20 0 BEADMN Cc1c[nH]nc1C[N@H+]1CCSC(C)(C)CC1 ZINC000291661950 384736634 /nfs/dbraw/zinc/73/66/34/384736634.db2.gz VKJJDVABRJDYPB-UHFFFAOYSA-N 0 1 239.388 2.436 20 0 BEADMN Cc1c[nH]nc1CN1CCSC(C)(C)CC1 ZINC000291661950 384736649 /nfs/dbraw/zinc/73/66/49/384736649.db2.gz VKJJDVABRJDYPB-UHFFFAOYSA-N 0 1 239.388 2.436 20 0 BEADMN CC(C)C[C@@H](CO)N[C@@H](C)c1nccs1 ZINC000083143121 384745155 /nfs/dbraw/zinc/74/51/55/384745155.db2.gz QIJGYTAQTJCYIJ-UWVGGRQHSA-N 0 1 228.361 2.201 20 0 BEADMN CC(C)CCN(C(=O)c1ccn[nH]1)C1CC1 ZINC000044480117 384746276 /nfs/dbraw/zinc/74/62/76/384746276.db2.gz USTNHFQCEXNUFO-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1[C@@H](C)[N@H+](CCOc2ccccc2)CCN1C ZINC000357032524 384752804 /nfs/dbraw/zinc/75/28/04/384752804.db2.gz GPMYHUSUOPMKNG-ZIAGYGMSSA-N 0 1 248.370 2.090 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nn2)[C@H]2CCCC[C@@H]12 ZINC000536379085 384757271 /nfs/dbraw/zinc/75/72/71/384757271.db2.gz SHOMAIWLNPCBNO-XBFCOCLRSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)N(C)CC[NH2+][C@H](C)c1ccoc1 ZINC000087290175 384759558 /nfs/dbraw/zinc/75/95/58/384759558.db2.gz OPELHHAEAXXHCG-LLVKDONJSA-N 0 1 210.321 2.270 20 0 BEADMN CCOC(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000070559861 384762500 /nfs/dbraw/zinc/76/25/00/384762500.db2.gz ISNLDFBNOODCJJ-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H](NCCC(C)(F)F)c1cnccn1 ZINC000294340334 384769321 /nfs/dbraw/zinc/76/93/21/384769321.db2.gz YKRBKEWJFIGZSM-QMMMGPOBSA-N 0 1 215.247 2.173 20 0 BEADMN C[C@@H]1C[C@H](NCc2cccc(F)c2F)CO1 ZINC000335662531 384819889 /nfs/dbraw/zinc/81/98/89/384819889.db2.gz FZEJCVACJUALDY-SCZZXKLOSA-N 0 1 227.254 2.232 20 0 BEADMN CN(CCC(C)(C)C)C(=O)c1coc(CN)c1 ZINC000648201637 384823045 /nfs/dbraw/zinc/82/30/45/384823045.db2.gz WTVXHDWKSIVDKF-UHFFFAOYSA-N 0 1 238.331 2.247 20 0 BEADMN CC[C@H](CC(=O)Nc1nnc(C)[nH]1)C(C)C ZINC000104412175 384829278 /nfs/dbraw/zinc/82/92/78/384829278.db2.gz HTNSPCPVSOMQMI-SECBINFHSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1cccc(CN(CCCO)C2CC2)c1F ZINC000648373346 384830154 /nfs/dbraw/zinc/83/01/54/384830154.db2.gz XCIQVBKPDUOHFH-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000647369265 384834245 /nfs/dbraw/zinc/83/42/45/384834245.db2.gz VDNXQXYDKRXOHY-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@@H]1CSCC[N@H+]1CC1CCCCC1 ZINC000126621427 384790486 /nfs/dbraw/zinc/79/04/86/384790486.db2.gz BSMXAVLRRXWAPB-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN Fc1ncccc1OCCN1CCCCC1 ZINC000087542570 384806204 /nfs/dbraw/zinc/80/62/04/384806204.db2.gz AOPFSWHEKCPTMN-UHFFFAOYSA-N 0 1 224.279 2.085 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042489041 384808052 /nfs/dbraw/zinc/80/80/52/384808052.db2.gz GLPRARNGJCMDDL-LURJTMIESA-N 0 1 233.720 2.306 20 0 BEADMN CC[C@@H](F)CN[C@H](CO)c1cccc(F)c1 ZINC000310039919 384810071 /nfs/dbraw/zinc/81/00/71/384810071.db2.gz XKSYIHMDTCIXQQ-ZYHUDNBSSA-N 0 1 229.270 2.197 20 0 BEADMN C[N@H+](Cc1ccccn1)C[C@H]1CCCC[C@@H]1O ZINC000053883585 384811895 /nfs/dbraw/zinc/81/18/95/384811895.db2.gz DCEOSTXIIIUSII-OCCSQVGLSA-N 0 1 234.343 2.065 20 0 BEADMN C[N@H+](Cc1ccccn1)C[C@@H]1CCCC[C@@H]1O ZINC000053883583 384812433 /nfs/dbraw/zinc/81/24/33/384812433.db2.gz DCEOSTXIIIUSII-JSGCOSHPSA-N 0 1 234.343 2.065 20 0 BEADMN Clc1ccc(-c2cc3n(n2)CCNC3)cc1 ZINC000084526488 384877680 /nfs/dbraw/zinc/87/76/80/384877680.db2.gz QMHHJSIXKDONKY-UHFFFAOYSA-N 0 1 233.702 2.307 20 0 BEADMN Cc1ncsc1CNCc1ccc(C)nc1 ZINC000084149409 384841740 /nfs/dbraw/zinc/84/17/40/384841740.db2.gz FWTKWOFSNIWOFM-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1cccc2[nH]c(CN[C@@H]3CO[C@@H](C)C3)nc21 ZINC000647197993 384844897 /nfs/dbraw/zinc/84/48/97/384844897.db2.gz YISYVMWURQOASL-QWRGUYRKSA-N 0 1 245.326 2.138 20 0 BEADMN Cc1nc(C)c([C@H](C)NCCF)s1 ZINC000087774867 384845494 /nfs/dbraw/zinc/84/54/94/384845494.db2.gz PNIXUTZCPPHCAX-LURJTMIESA-N 0 1 202.298 2.380 20 0 BEADMN c1csc(CNCc2cncs2)c1 ZINC000054770260 384853516 /nfs/dbraw/zinc/85/35/16/384853516.db2.gz SPPKAPFNLWUVAG-UHFFFAOYSA-N 0 1 210.327 2.494 20 0 BEADMN Cc1nnc([C@H](C)NC[C@H]2C[C@H]2C)s1 ZINC000308600609 384855899 /nfs/dbraw/zinc/85/58/99/384855899.db2.gz APHBVVDDKMCGCK-BKPPORCPSA-N 0 1 211.334 2.153 20 0 BEADMN COC(=O)[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000300014470 384856628 /nfs/dbraw/zinc/85/66/28/384856628.db2.gz KYTSNAPKGYMZSW-FPQZTECRSA-N 0 1 239.359 2.352 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H](C)C2CC2)[nH]1 ZINC001645212790 1172643001 /nfs/dbraw/zinc/64/30/01/1172643001.db2.gz LDIDYESZIIXIGY-VIFPVBQESA-N 0 1 235.331 2.025 20 0 BEADMN NC1(c2noc(C3(CF)CCC3)n2)CCCC1 ZINC000335457306 384863064 /nfs/dbraw/zinc/86/30/64/384863064.db2.gz VLSYZDICZUBCGO-UHFFFAOYSA-N 0 1 239.294 2.189 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC1(C(F)F)CCCC1 ZINC000644560457 384960526 /nfs/dbraw/zinc/96/05/26/384960526.db2.gz YXAMDFMKLFUPMH-UHFFFAOYSA-N 0 1 248.317 2.021 20 0 BEADMN COC[C@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000234842241 384895015 /nfs/dbraw/zinc/89/50/15/384895015.db2.gz SCFOYERKVHWLQW-PWSUYJOCSA-N 0 1 249.310 2.091 20 0 BEADMN Cc1csc([C@H](C)NCC2(O)CCC2)n1 ZINC000336758120 384899330 /nfs/dbraw/zinc/89/93/30/384899330.db2.gz KNFYVLNNSCPHLH-VIFPVBQESA-N 0 1 226.345 2.017 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000559259057 384910968 /nfs/dbraw/zinc/91/09/68/384910968.db2.gz RUXXZGKONGZEEB-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CCCC[C@](C)(CO)NCc1csc(C)n1 ZINC000647239901 384913726 /nfs/dbraw/zinc/91/37/26/384913726.db2.gz RWQFRYWAIRRCQF-GFCCVEGCSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@H](NCC(C)(C)CCO)c1cscn1 ZINC000127884336 384916285 /nfs/dbraw/zinc/91/62/85/384916285.db2.gz GCZHCQULSNKENJ-VIFPVBQESA-N 0 1 228.361 2.202 20 0 BEADMN CCCC[C@@](C)(CO)NCc1ncc(C)s1 ZINC000647240478 384926365 /nfs/dbraw/zinc/92/63/65/384926365.db2.gz VISWHACKHVQCSG-LBPRGKRZSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@@H](O)C[C@@H](C)NCc1csc(C2CC2)n1 ZINC000309937796 384927677 /nfs/dbraw/zinc/92/76/77/384927677.db2.gz AQCPDPIUFIBSAM-RKDXNWHRSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@@H](NC1CC(C)(C)C1)c1nnc2n1CCC2 ZINC000336156787 384928663 /nfs/dbraw/zinc/92/86/63/384928663.db2.gz BTIOBVHIVPOYKY-SECBINFHSA-N 0 1 234.347 2.064 20 0 BEADMN CO[C@@H]1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000371736045 384932568 /nfs/dbraw/zinc/93/25/68/384932568.db2.gz VNHNAWMWWVAVDG-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN O[C@@H](CNCc1cscn1)CC1CCCC1 ZINC000644532566 384934007 /nfs/dbraw/zinc/93/40/07/384934007.db2.gz AIZJMKFIYWIUHS-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN CCCc1nsc(NCC[C@@H](C)F)n1 ZINC000338747601 384939618 /nfs/dbraw/zinc/93/96/18/384939618.db2.gz DFUUMAUNEVYGOG-SSDOTTSWSA-N 0 1 217.313 2.073 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H](C)Cn2cncn2)o1 ZINC000164229065 384943981 /nfs/dbraw/zinc/94/39/81/384943981.db2.gz KDVKEFMUUNEKJW-QWRGUYRKSA-N 0 1 248.330 2.173 20 0 BEADMN C[C@H]1C[N@@H+](CCCC(=O)[O-])Cc2ccccc2O1 ZINC000559273428 384945602 /nfs/dbraw/zinc/94/56/02/384945602.db2.gz NPYBYUGOVVEXFL-NSHDSACASA-N 0 1 249.310 2.134 20 0 BEADMN F[C@@H]1CC[C@H](NCc2cscn2)C1 ZINC000306448072 384966395 /nfs/dbraw/zinc/96/63/95/384966395.db2.gz VMYUNCAGDZAWGP-SFYZADRCSA-N 0 1 200.282 2.123 20 0 BEADMN F[C@H]1CC[C@H](NCc2cscn2)C1 ZINC000306448074 384968104 /nfs/dbraw/zinc/96/81/04/384968104.db2.gz VMYUNCAGDZAWGP-YUMQZZPRSA-N 0 1 200.282 2.123 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000260134484 384971089 /nfs/dbraw/zinc/97/10/89/384971089.db2.gz QEEVNXSGXYVTOI-LLVKDONJSA-N 0 1 247.338 2.470 20 0 BEADMN C[C@H]([C@H](C)O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291874617 385021453 /nfs/dbraw/zinc/02/14/53/385021453.db2.gz HSEQPYKADRBCAM-MDZLAQPJSA-N 0 1 234.343 2.234 20 0 BEADMN CCN(CC)Cc1cn2ccsc2n1 ZINC000336680171 384975174 /nfs/dbraw/zinc/97/51/74/384975174.db2.gz GITGUYRGIANOQC-UHFFFAOYSA-N 0 1 209.318 2.238 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000127979649 384976042 /nfs/dbraw/zinc/97/60/42/384976042.db2.gz CWXPABXSDWBLAC-GFCCVEGCSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1ccc(F)c(CN2CCC[C@@H](O)C2)c1 ZINC000127979649 384976046 /nfs/dbraw/zinc/97/60/46/384976046.db2.gz CWXPABXSDWBLAC-GFCCVEGCSA-N 0 1 223.291 2.091 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000339581902 385021678 /nfs/dbraw/zinc/02/16/78/385021678.db2.gz FAQUJPBJZWXCED-NEPJUHHUSA-N 0 1 225.311 2.444 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1ncc(C2CC2)o1 ZINC000555878247 384978965 /nfs/dbraw/zinc/97/89/65/384978965.db2.gz IIBCOXCVLUFENM-GFCCVEGCSA-N 0 1 249.358 2.078 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccsc1 ZINC000058123019 384984329 /nfs/dbraw/zinc/98/43/29/384984329.db2.gz MBTFLTVBUFSXMS-NXEZZACHSA-N 0 1 240.372 2.141 20 0 BEADMN C[C@]1(O)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000128045138 384987114 /nfs/dbraw/zinc/98/71/14/384987114.db2.gz PRAOXCFDPCVRKG-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)s1 ZINC000187833417 384988976 /nfs/dbraw/zinc/98/89/76/384988976.db2.gz QMMHWTSFKYNLKX-VFZGTOFNSA-N 0 1 245.413 2.255 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccoc1 ZINC000094869401 384996745 /nfs/dbraw/zinc/99/67/45/384996745.db2.gz HRECMHRDMIURBI-SECBINFHSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc(CNCc2cnccc2C)sn1 ZINC000404451530 384999856 /nfs/dbraw/zinc/99/98/56/384999856.db2.gz GZDMXASYHURLPI-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1nc(CNCC[C@H](C)F)cs1 ZINC000339493587 385006197 /nfs/dbraw/zinc/00/61/97/385006197.db2.gz IURYGOMATVKUGJ-ZETCQYMHSA-N 0 1 202.298 2.289 20 0 BEADMN Cc1cc(CNCc2cccc(CO)c2)sn1 ZINC000404446384 385006501 /nfs/dbraw/zinc/00/65/01/385006501.db2.gz ADGPWGJBOUNUGT-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@H]2C)[nH]1 ZINC000336307781 385013338 /nfs/dbraw/zinc/01/33/38/385013338.db2.gz CICSDEYTXPFICL-NXEZZACHSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1ccoc1CNCC[S@@](=O)C(C)(C)C ZINC000164586264 385020720 /nfs/dbraw/zinc/02/07/20/385020720.db2.gz YZAYYCICSZFSRP-INIZCTEOSA-N 0 1 243.372 2.225 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCOC[C@@H]2C)o1 ZINC000300829228 384964502 /nfs/dbraw/zinc/96/45/02/384964502.db2.gz HIFHWFAVJWLZRY-LSJOCFKGSA-N 0 1 224.304 2.059 20 0 BEADMN Cc1nn(C)c(C)c1CCNc1cccc(C)n1 ZINC000157034558 385053351 /nfs/dbraw/zinc/05/33/51/385053351.db2.gz KJIOGHCUFZMKCM-UHFFFAOYSA-N 0 1 244.342 2.395 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1ncc(C)s1 ZINC000647244502 385057161 /nfs/dbraw/zinc/05/71/61/385057161.db2.gz AHIIGGIFRXJSSC-KOLCDFICSA-N 0 1 242.388 2.338 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1ncc(C)s1 ZINC000647244501 385058515 /nfs/dbraw/zinc/05/85/15/385058515.db2.gz AHIIGGIFRXJSSC-GXSJLCMTSA-N 0 1 242.388 2.338 20 0 BEADMN CSC[C@@H](C)NCc1csc(C)n1 ZINC000130730128 385060501 /nfs/dbraw/zinc/06/05/01/385060501.db2.gz DRCHRROSRXCCON-SSDOTTSWSA-N 0 1 216.375 2.293 20 0 BEADMN CSC[C@H](C)NCc1csc(C)n1 ZINC000130729895 385061267 /nfs/dbraw/zinc/06/12/67/385061267.db2.gz DRCHRROSRXCCON-ZETCQYMHSA-N 0 1 216.375 2.293 20 0 BEADMN Cc1cc(CC(=O)NC2[C@H](C)CCC[C@H]2C)[nH]n1 ZINC000176394191 385080148 /nfs/dbraw/zinc/08/01/48/385080148.db2.gz YZIMTUJOXBPTMK-NXEZZACHSA-N 0 1 249.358 2.202 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@@H](SC)C1 ZINC000518386744 385032537 /nfs/dbraw/zinc/03/25/37/385032537.db2.gz OGSDRJKCPORNHS-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN O=C(C1=CCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000335679848 385032581 /nfs/dbraw/zinc/03/25/81/385032581.db2.gz SRQNUPNLWZSYDK-UHFFFAOYSA-N 0 1 245.326 2.226 20 0 BEADMN C(C1CCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086657860 385036273 /nfs/dbraw/zinc/03/62/73/385036273.db2.gz RGJWTWAGOXPEHI-CQSZACIVSA-N 0 1 222.376 2.347 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176206304 385039701 /nfs/dbraw/zinc/03/97/01/385039701.db2.gz DVVOSEFHRBFBMN-UWVGGRQHSA-N 0 1 238.335 2.054 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N[C@H](C)c1nnc[nH]1 ZINC000176206327 385039993 /nfs/dbraw/zinc/03/99/93/385039993.db2.gz DVVOSEFHRBFBMN-VHSXEESVSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000644639177 385043179 /nfs/dbraw/zinc/04/31/79/385043179.db2.gz RSYDRLPEESKNPF-BXKDBHETSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC000644639179 385044343 /nfs/dbraw/zinc/04/43/43/385044343.db2.gz RSYDRLPEESKNPF-JOYOIKCWSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000516657444 385117194 /nfs/dbraw/zinc/11/71/94/385117194.db2.gz YYZOWZOVNGJVSB-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(CO)[C@H](NCc1cscn1)C1CC1 ZINC000290999437 385119678 /nfs/dbraw/zinc/11/96/78/385119678.db2.gz VVQJUKCBMNDMRG-LLVKDONJSA-N 0 1 240.372 2.030 20 0 BEADMN C[C@@H]1[C@H](C)N(c2nc3ccccc3o2)CCN1C ZINC000336340800 385121596 /nfs/dbraw/zinc/12/15/96/385121596.db2.gz IAFMHUYMYVAURR-MNOVXSKESA-N 0 1 245.326 2.357 20 0 BEADMN CC(C)(C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000176715369 385142190 /nfs/dbraw/zinc/14/21/90/385142190.db2.gz NVIAHKUMSWJXEJ-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN Cc1nc(CN[C@H]2CCCSC2)cs1 ZINC000061589037 385126916 /nfs/dbraw/zinc/12/69/16/385126916.db2.gz KXKWEGSDDNOBEY-VIFPVBQESA-N 0 1 228.386 2.437 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1cc(C)[nH]n1 ZINC000176661073 385127446 /nfs/dbraw/zinc/12/74/46/385127446.db2.gz UNIKCTDICKIKKU-SECBINFHSA-N 0 1 223.320 2.226 20 0 BEADMN CC[C@H](N[C@H](C)c1ccccc1Cl)C(N)=O ZINC000061677058 385128512 /nfs/dbraw/zinc/12/85/12/385128512.db2.gz CNMNPVJRAIITCA-KCJUWKMLSA-N 0 1 240.734 2.255 20 0 BEADMN CCCn1ncnc1C[N@H+]1CCC[C@H]1C(C)C ZINC000447851971 385131892 /nfs/dbraw/zinc/13/18/92/385131892.db2.gz WUDMQEFDLHNVBX-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1ncnc1CN1CCC[C@H]1C(C)C ZINC000447851971 385131898 /nfs/dbraw/zinc/13/18/98/385131898.db2.gz WUDMQEFDLHNVBX-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN c1ccc([C@@H]2C[C@H]2CN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644717013 385136458 /nfs/dbraw/zinc/13/64/58/385136458.db2.gz WWFBUNJEDAHJDH-ZQDZILKHSA-N 0 1 229.323 2.263 20 0 BEADMN CCc1cnc(CN[C@H]2COCC2(C)C)s1 ZINC000313012395 385139410 /nfs/dbraw/zinc/13/94/10/385139410.db2.gz VDZHINFUUSSPCD-JTQLQIEISA-N 0 1 240.372 2.220 20 0 BEADMN CO[C@@H]([C@H](C)NCc1nc(C)cs1)C1CC1 ZINC000388298759 385140057 /nfs/dbraw/zinc/14/00/57/385140057.db2.gz MQQSZLQMZZYJIJ-CABZTGNLSA-N 0 1 240.372 2.355 20 0 BEADMN C[C@@H](O)CCNCc1ncc(C(C)(C)C)s1 ZINC000279227002 385085411 /nfs/dbraw/zinc/08/54/11/385085411.db2.gz YCVDUHDTAMRTOI-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1nc(CN2CCCc3c(F)cccc32)n[nH]1 ZINC000644671843 385085993 /nfs/dbraw/zinc/08/59/93/385085993.db2.gz MDZVAOBIEVWEHG-UHFFFAOYSA-N 0 1 246.289 2.205 20 0 BEADMN CCc1ccccc1CN1CCO[C@@H](C)C1 ZINC000188767921 385086409 /nfs/dbraw/zinc/08/64/09/385086409.db2.gz QYLXRESCXSCBSM-LBPRGKRZSA-N 0 1 219.328 2.470 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@H](C(F)F)C2)cn1 ZINC000644680005 385091896 /nfs/dbraw/zinc/09/18/96/385091896.db2.gz JDSJMTNSBZYOFN-ZJUUUORDSA-N 0 1 241.285 2.433 20 0 BEADMN C[C@@H]1CN(CCSC2CCC2)C[C@H](C)O1 ZINC000569356989 385092211 /nfs/dbraw/zinc/09/22/11/385092211.db2.gz RYZJGTQVDAXUED-PHIMTYICSA-N 0 1 229.389 2.381 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H](C(F)F)C2)cn1 ZINC000644680003 385092799 /nfs/dbraw/zinc/09/27/99/385092799.db2.gz JDSJMTNSBZYOFN-UWVGGRQHSA-N 0 1 241.285 2.433 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H](C(F)F)C2)n[nH]1 ZINC000644680078 385094116 /nfs/dbraw/zinc/09/41/16/385094116.db2.gz YFLANIPUBZAQIZ-MRVPVSSYSA-N 0 1 244.289 2.015 20 0 BEADMN C[N@@H+](Cc1cccc(Br)n1)C1CC1 ZINC000291996260 385096267 /nfs/dbraw/zinc/09/62/67/385096267.db2.gz BAOUIOSLQASHCF-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN CN(Cc1cccc(Br)n1)C1CC1 ZINC000291996260 385096276 /nfs/dbraw/zinc/09/62/76/385096276.db2.gz BAOUIOSLQASHCF-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000310534345 385101666 /nfs/dbraw/zinc/10/16/66/385101666.db2.gz AHSKGVNCBCUEBF-ZDUSSCGKSA-N 0 1 237.318 2.479 20 0 BEADMN Fc1cccn2cc(CN[C@@H]3CC34CC4)nc12 ZINC000643800370 385102711 /nfs/dbraw/zinc/10/27/11/385102711.db2.gz XAMIIBBSANQTFX-LLVKDONJSA-N 0 1 231.274 2.116 20 0 BEADMN CCc1ccc([C@@H](COC)N[C@H](C)COC)o1 ZINC000165319260 385103930 /nfs/dbraw/zinc/10/39/30/385103930.db2.gz UGLMRBJBKXDNNY-ZYHUDNBSSA-N 0 1 241.331 2.154 20 0 BEADMN CC(=O)CN1CCc2ccccc2[C@@H](C)C1 ZINC000404927912 385185577 /nfs/dbraw/zinc/18/55/77/385185577.db2.gz IIQMMHKAMJNTLA-NSHDSACASA-N 0 1 217.312 2.237 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@@H](C)O)cs1 ZINC000152512383 385187887 /nfs/dbraw/zinc/18/78/87/385187887.db2.gz SYLOAXMCBFCHTC-SKDRFNHKSA-N 0 1 240.372 2.187 20 0 BEADMN CN(Cc1nnc[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000177135529 385188448 /nfs/dbraw/zinc/18/84/48/385188448.db2.gz LGLDXNCKJOVZPZ-LBPRGKRZSA-N 0 1 246.289 2.063 20 0 BEADMN CCCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000189851475 385192590 /nfs/dbraw/zinc/19/25/90/385192590.db2.gz XRBMPQZOPPTDIO-UHFFFAOYSA-N 0 1 235.331 2.209 20 0 BEADMN CO[C@](C)(CNCc1nc(C)cs1)C1CC1 ZINC000291089336 385198766 /nfs/dbraw/zinc/19/87/66/385198766.db2.gz WXAIDXUUMZFFSP-GFCCVEGCSA-N 0 1 240.372 2.356 20 0 BEADMN CC[C@@H](F)CN1CCOC2(CCOCC2)CC1 ZINC000559727330 385147202 /nfs/dbraw/zinc/14/72/02/385147202.db2.gz PCWJNFFYBYXRSS-GFCCVEGCSA-N 0 1 245.338 2.006 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)n1 ZINC000176899887 385156524 /nfs/dbraw/zinc/15/65/24/385156524.db2.gz DFCYIMYARSCEME-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H](C)[C@@H]2C)n1 ZINC000176899887 385156527 /nfs/dbraw/zinc/15/65/27/385156527.db2.gz DFCYIMYARSCEME-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000176899887 385156530 /nfs/dbraw/zinc/15/65/30/385156530.db2.gz DFCYIMYARSCEME-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)C(C)(C)C)c1 ZINC000176929454 385161688 /nfs/dbraw/zinc/16/16/88/385161688.db2.gz AOOCGGHGDTYTSJ-UHFFFAOYSA-N 0 1 235.331 2.128 20 0 BEADMN COC(=O)c1ccc(CN(C)C2CC2)s1 ZINC000176960146 385161900 /nfs/dbraw/zinc/16/19/00/385161900.db2.gz YAJGGBODQOUDKD-UHFFFAOYSA-N 0 1 225.313 2.129 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)C2CCCC2)c1 ZINC000176935279 385161916 /nfs/dbraw/zinc/16/19/16/385161916.db2.gz PVEKYJNVALEDFU-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN Cc1cnn(C)c1CN1CCS[C@H](C)[C@@H]1C ZINC000289519015 385201095 /nfs/dbraw/zinc/20/10/95/385201095.db2.gz FWHFFHSTIGTNKB-WDEREUQCSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@H]1CCCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC000246511216 385172130 /nfs/dbraw/zinc/17/21/30/385172130.db2.gz BKHURSHYJGLSGI-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCCCN(C)Cc1cnccn1 ZINC000177250009 385207485 /nfs/dbraw/zinc/20/74/85/385207485.db2.gz NJYNAQYGAOIGGH-UHFFFAOYSA-N 0 1 207.321 2.489 20 0 BEADMN CC[C@H]1CN(Cc2nc3ccccc3o2)C[C@@H]1O ZINC000336332763 385211505 /nfs/dbraw/zinc/21/15/05/385211505.db2.gz PSPXWXKKFDJBQE-JQWIXIFHSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@H]1CN(Cc2nc3ccccc3o2)C[C@H]1O ZINC000336332762 385211624 /nfs/dbraw/zinc/21/16/24/385211624.db2.gz PSPXWXKKFDJBQE-CMPLNLGQSA-N 0 1 246.310 2.031 20 0 BEADMN CSCCNC(C)(C)c1nccs1 ZINC000089912482 385212500 /nfs/dbraw/zinc/21/25/00/385212500.db2.gz PQTUUOYSUPBGKY-UHFFFAOYSA-N 0 1 216.375 2.331 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)n[nH]1 ZINC000152839154 385217074 /nfs/dbraw/zinc/21/70/74/385217074.db2.gz SOWDFFPWSLNFTH-PHIMTYICSA-N 0 1 247.342 2.405 20 0 BEADMN Cn1cncc1CNC1(c2cccc(F)c2)CC1 ZINC000152852627 385218020 /nfs/dbraw/zinc/21/80/20/385218020.db2.gz GTMXZFYARZUHMU-UHFFFAOYSA-N 0 1 245.301 2.338 20 0 BEADMN Cc1cc(CNC[C@H]2CCC(C)(C)O2)on1 ZINC000166095146 385222566 /nfs/dbraw/zinc/22/25/66/385222566.db2.gz XHMCOVJLDSQLFR-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN CC(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 ZINC000292122864 385226567 /nfs/dbraw/zinc/22/65/67/385226567.db2.gz XAKZCUBCJIUGDI-SNVBAGLBSA-N 0 1 236.319 2.002 20 0 BEADMN OCC[C@@H](NCc1cc[nH]c1)c1ccccc1F ZINC000647249533 385230923 /nfs/dbraw/zinc/23/09/23/385230923.db2.gz BKDVMNKPMDNLOG-CQSZACIVSA-N 0 1 248.301 2.367 20 0 BEADMN Cc1nc(CN2CCSC[C@@H](C)C2)oc1C ZINC000190465723 385241518 /nfs/dbraw/zinc/24/15/18/385241518.db2.gz MJBLVDLUKJUBRD-VIFPVBQESA-N 0 1 240.372 2.476 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000290578147 385250078 /nfs/dbraw/zinc/25/00/78/385250078.db2.gz ZFTOXINITQCGOP-KOLCDFICSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@@H](CCO)CN[C@@H](C)c1cc(C)on1 ZINC000290636511 385251149 /nfs/dbraw/zinc/25/11/49/385251149.db2.gz JGERBMYWTQNHTF-QWRGUYRKSA-N 0 1 226.320 2.042 20 0 BEADMN C[C@H](N[C@@H]1CC12CC2)c1cc2n(n1)CCCC2 ZINC000647309727 385253094 /nfs/dbraw/zinc/25/30/94/385253094.db2.gz NHMJMRKFGOPNAZ-GXFFZTMASA-N 0 1 231.343 2.423 20 0 BEADMN C[C@@H](N[C@H]1CC12CC2)c1cc2n(n1)CCCC2 ZINC000647309728 385254005 /nfs/dbraw/zinc/25/40/05/385254005.db2.gz NHMJMRKFGOPNAZ-MFKMUULPSA-N 0 1 231.343 2.423 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000157519685 385205635 /nfs/dbraw/zinc/20/56/35/385205635.db2.gz JAUAYAINOCPZMS-VHSXEESVSA-N 0 1 243.310 2.481 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)s1 ZINC000131043178 385302313 /nfs/dbraw/zinc/30/23/13/385302313.db2.gz QMMHWTSFKYNLKX-BJOHPYRUSA-N 0 1 245.413 2.255 20 0 BEADMN C[C@H](CSC(C)(C)C)NCc1nccn1C ZINC000167250081 385304128 /nfs/dbraw/zinc/30/41/28/385304128.db2.gz PKWSCJKAIOTZHP-SNVBAGLBSA-N 0 1 241.404 2.430 20 0 BEADMN CCN(CC(=O)Nc1ccc(O)c(C)c1)C1CC1 ZINC000154155218 385304428 /nfs/dbraw/zinc/30/44/28/385304428.db2.gz ULTAOTSOOKQOMB-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN COC[C@H](CNCc1ccsc1Cl)OC ZINC000308937461 385305983 /nfs/dbraw/zinc/30/59/83/385305983.db2.gz LFUZCVNQGXUVSX-VIFPVBQESA-N 0 1 249.763 2.153 20 0 BEADMN CC(C)=CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000191749348 385322681 /nfs/dbraw/zinc/32/26/81/385322681.db2.gz MKXVZRFBQPBMOQ-UHFFFAOYSA-N 0 1 247.342 2.375 20 0 BEADMN Cc1noc(C)c1CN[C@H]1CSC1(C)C ZINC000308902444 385273990 /nfs/dbraw/zinc/27/39/90/385273990.db2.gz BQNKICRUFYXOSG-JTQLQIEISA-N 0 1 226.345 2.275 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000191157735 385286974 /nfs/dbraw/zinc/28/69/74/385286974.db2.gz KZGPGOKTROTNNC-MRVPVSSYSA-N 0 1 248.286 2.439 20 0 BEADMN Cc1csc(CNCc2cc(C)nn2C)c1 ZINC000344610888 385289054 /nfs/dbraw/zinc/28/90/54/385289054.db2.gz AUIXHTCHVIYABY-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000130853071 385291520 /nfs/dbraw/zinc/29/15/20/385291520.db2.gz SEHHZOJCAMYVEL-BLLLJJGKSA-N 0 1 239.384 2.194 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nccn1C ZINC000177846159 385294209 /nfs/dbraw/zinc/29/42/09/385294209.db2.gz VDFFZRCBAXNTBO-LLVKDONJSA-N 0 1 209.337 2.288 20 0 BEADMN CC[C@@H](C)CC(=O)NCCCc1cn[nH]c1C ZINC000167550652 385323725 /nfs/dbraw/zinc/32/37/25/385323725.db2.gz HEQVSGNMRWEROL-SNVBAGLBSA-N 0 1 237.347 2.203 20 0 BEADMN Cc1cccc(NC[C@H](C)CCCO)n1 ZINC000294901390 385301610 /nfs/dbraw/zinc/30/16/10/385301610.db2.gz HDPVBXXLRLNESS-SNVBAGLBSA-N 0 1 208.305 2.211 20 0 BEADMN CN(Cc1ccco1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191877800 385332794 /nfs/dbraw/zinc/33/27/94/385332794.db2.gz LIJZHFHLRCPHIR-LBPRGKRZSA-N 0 1 249.310 2.197 20 0 BEADMN Cc1cccc2nc(CCC(=O)NC(C)C)[nH]c21 ZINC000178840142 385337071 /nfs/dbraw/zinc/33/70/71/385337071.db2.gz ICLYJHPQFXCRQQ-UHFFFAOYSA-N 0 1 245.326 2.329 20 0 BEADMN C[C@H](CNCc1cocn1)N(C)c1ccccc1 ZINC000192286212 385350716 /nfs/dbraw/zinc/35/07/16/385350716.db2.gz IQSXYNXFOZGUJJ-GFCCVEGCSA-N 0 1 245.326 2.289 20 0 BEADMN c1cc(COc2ccccc2-c2nnc[nH]2)no1 ZINC000158112225 385350879 /nfs/dbraw/zinc/35/08/79/385350879.db2.gz WBIJUXRGQWYBSH-UHFFFAOYSA-N 0 1 242.238 2.039 20 0 BEADMN Cc1ccnc(NC[C@H](CO)C(C)C)c1 ZINC000309008950 385359286 /nfs/dbraw/zinc/35/92/86/385359286.db2.gz QYYHQSBZSGBCME-LLVKDONJSA-N 0 1 208.305 2.066 20 0 BEADMN CC[C@H](C(=O)OC)N1CCCC[C@H](SC)C1 ZINC000179117600 385364748 /nfs/dbraw/zinc/36/47/48/385364748.db2.gz VYNGZRNMXVUTKW-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCCC[C@H](SC)C1 ZINC000179117591 385365301 /nfs/dbraw/zinc/36/53/01/385365301.db2.gz VYNGZRNMXVUTKW-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H](Cc1ccoc1)NCc1nccs1 ZINC000309019886 385373186 /nfs/dbraw/zinc/37/31/86/385373186.db2.gz WKERIGMLVMANQK-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN FCCNCc1cnc2ccc(Cl)cn12 ZINC000280823282 385377033 /nfs/dbraw/zinc/37/70/33/385377033.db2.gz VREBBLDKVTXXPR-UHFFFAOYSA-N 0 1 227.670 2.047 20 0 BEADMN C[C@@H](O)CN(Cc1ccccc1F)C1CC1 ZINC000192962200 385377928 /nfs/dbraw/zinc/37/79/28/385377928.db2.gz IAYLXBACMBABPP-SNVBAGLBSA-N 0 1 223.291 2.171 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1csc(C)c1C ZINC000179856079 385381391 /nfs/dbraw/zinc/38/13/91/385381391.db2.gz OPXRIDOJOLTRNA-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN C[C@@H](NCC[N@H+]1CC=CCC1)c1cscn1 ZINC000280863118 385382464 /nfs/dbraw/zinc/38/24/64/385382464.db2.gz CIZAALACJIXKFR-LLVKDONJSA-N 0 1 237.372 2.056 20 0 BEADMN C[C@@H](NCCN1CC=CCC1)c1cscn1 ZINC000280863118 385382474 /nfs/dbraw/zinc/38/24/74/385382474.db2.gz CIZAALACJIXKFR-LLVKDONJSA-N 0 1 237.372 2.056 20 0 BEADMN Cc1nc(CN[C@H](C)C2CCOCC2)oc1C ZINC000179874172 385383823 /nfs/dbraw/zinc/38/38/23/385383823.db2.gz CJLQPOUYQFNRNF-SNVBAGLBSA-N 0 1 238.331 2.196 20 0 BEADMN C[C@@H](NCCF)c1ccc2c(c1)COC2 ZINC000280991695 385386135 /nfs/dbraw/zinc/38/61/35/385386135.db2.gz JVZCIXAAMCDWSS-SECBINFHSA-N 0 1 209.264 2.337 20 0 BEADMN FCCN[C@@H]1CCCOc2ccccc21 ZINC000281010064 385386436 /nfs/dbraw/zinc/38/64/36/385386436.db2.gz LINNHYAISZFIOV-LLVKDONJSA-N 0 1 209.264 2.459 20 0 BEADMN CS[C@H](CNCc1csnn1)C(C)(C)C ZINC000309080876 385400165 /nfs/dbraw/zinc/40/01/65/385400165.db2.gz PJHNADUPNKPJAE-SECBINFHSA-N 0 1 245.417 2.405 20 0 BEADMN CS[C@@H](CNCc1csnn1)C(C)(C)C ZINC000309080877 385400941 /nfs/dbraw/zinc/40/09/41/385400941.db2.gz PJHNADUPNKPJAE-VIFPVBQESA-N 0 1 245.417 2.405 20 0 BEADMN COc1ccc(CCN2CCO[C@H](C)[C@H]2C)cc1 ZINC000155993704 385426804 /nfs/dbraw/zinc/42/68/04/385426804.db2.gz XZXXEEBTEQGRLZ-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CN(Cc1ccco1)C[C@H]1CCC=CO1 ZINC000193620049 385404480 /nfs/dbraw/zinc/40/44/80/385404480.db2.gz GSHOOYBEVICTCC-LLVKDONJSA-N 0 1 207.273 2.404 20 0 BEADMN c1nc2c(ncnc2N[C@@H]2CC23CCCCC3)[nH]1 ZINC000181266761 385406343 /nfs/dbraw/zinc/40/63/43/385406343.db2.gz HMUDRNJVUPEZGF-SECBINFHSA-N 0 1 243.314 2.488 20 0 BEADMN CC/C=C/CNCc1cn2ccccc2n1 ZINC000295065937 385416549 /nfs/dbraw/zinc/41/65/49/385416549.db2.gz OTMKCKLNUFHRJW-HWKANZROSA-N 0 1 215.300 2.390 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155860125 385417761 /nfs/dbraw/zinc/41/77/61/385417761.db2.gz BMMPWFXWNBAGIU-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155860362 385418381 /nfs/dbraw/zinc/41/83/81/385418381.db2.gz BMMPWFXWNBAGIU-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@H](NCc1cnn(C)c1)c1cccs1 ZINC000020148555 385422495 /nfs/dbraw/zinc/42/24/95/385422495.db2.gz NYEHOAJJEOZUJQ-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000054067877 385441002 /nfs/dbraw/zinc/44/10/02/385441002.db2.gz CTZPTTQFEQJDGE-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN CCc1cc(C(=O)N(CC(C)C)C(C)C)n[nH]1 ZINC000170760246 385443363 /nfs/dbraw/zinc/44/33/63/385443363.db2.gz PBZWPMJZAAYAOL-UHFFFAOYSA-N 0 1 237.347 2.479 20 0 BEADMN CO[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000170817625 385449980 /nfs/dbraw/zinc/44/99/80/385449980.db2.gz LVHCNGFHLGHANU-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN c1c[nH]c([C@H](NC2CCCC2)c2cccnc2)n1 ZINC000194958877 385455509 /nfs/dbraw/zinc/45/55/09/385455509.db2.gz IYJKWDLSFDGLPB-CYBMUJFWSA-N 0 1 242.326 2.426 20 0 BEADMN CCC[C@H](C(=O)N[C@@H](C)c1nnc[nH]1)C(C)C ZINC000179487411 385469117 /nfs/dbraw/zinc/46/91/17/385469117.db2.gz ZRZLEBQACUPADH-UWVGGRQHSA-N 0 1 238.335 2.054 20 0 BEADMN CCONC(=O)C(C)(C)c1ccc(F)cc1 ZINC000171273870 385475376 /nfs/dbraw/zinc/47/53/76/385475376.db2.gz YONJFUPZGLWFOJ-UHFFFAOYSA-N 0 1 225.263 2.171 20 0 BEADMN CN(Cc1cccn1C)C[C@@H]1CCCCO1 ZINC000156954976 385475549 /nfs/dbraw/zinc/47/55/49/385475549.db2.gz GNBRXGLGRXRXHA-ZDUSSCGKSA-N 0 1 222.332 2.026 20 0 BEADMN CC(C)n1ncnc1CNCCCC1CC1 ZINC000156948303 385475604 /nfs/dbraw/zinc/47/56/04/385475604.db2.gz HMDXNENHZINXBL-UHFFFAOYSA-N 0 1 222.336 2.139 20 0 BEADMN Cn1cccc1C[N@@H+](C)CCc1ccncc1 ZINC000156940879 385476607 /nfs/dbraw/zinc/47/66/07/385476607.db2.gz HCPQUPXLFJRXPE-UHFFFAOYSA-N 0 1 229.327 2.095 20 0 BEADMN C[C@H](O)C[C@H](C)CNCc1ncc(Cl)s1 ZINC000336772183 385483488 /nfs/dbraw/zinc/48/34/88/385483488.db2.gz XVYSELGRNAIGOU-YUMQZZPRSA-N 0 1 248.779 2.293 20 0 BEADMN CNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000157070193 385484107 /nfs/dbraw/zinc/48/41/07/385484107.db2.gz HMICJUVKDPARBW-TXEJJXNPSA-N 0 1 234.343 2.338 20 0 BEADMN c1ncc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)[nH]1 ZINC000179350813 385461195 /nfs/dbraw/zinc/46/11/95/385461195.db2.gz WXNQAJYAJIVULT-CQSZACIVSA-N 0 1 241.338 2.474 20 0 BEADMN COCc1cnc(CN[C@H]2CC2(C)C)s1 ZINC000309229588 385492009 /nfs/dbraw/zinc/49/20/09/385492009.db2.gz WLKIAESBYHKDSI-VIFPVBQESA-N 0 1 226.345 2.178 20 0 BEADMN Cc1ccsc1CN1CCO[C@@H](C)C1 ZINC000179866288 385496391 /nfs/dbraw/zinc/49/63/91/385496391.db2.gz ZKJBHFDUCVGDRH-JTQLQIEISA-N 0 1 211.330 2.277 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc(F)c(F)c1 ZINC000180040373 385503543 /nfs/dbraw/zinc/50/35/43/385503543.db2.gz DNHOVTJXIGXQND-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN CSCCN(Cc1cccnc1)C1CC1 ZINC000180276210 385518011 /nfs/dbraw/zinc/51/80/11/385518011.db2.gz VAOITSJRKIRWBU-UHFFFAOYSA-N 0 1 222.357 2.409 20 0 BEADMN COC[C@@H](CNc1ccnc(C)c1Cl)OC ZINC000309272111 385507812 /nfs/dbraw/zinc/50/78/12/385507812.db2.gz SFFYOEPTLCFWCK-SECBINFHSA-N 0 1 244.722 2.117 20 0 BEADMN Cc1ccc([C@@H]2[C@H](C)CCCN2CC(N)=O)cc1 ZINC000157699261 385516697 /nfs/dbraw/zinc/51/66/97/385516697.db2.gz PIXAVDICQZYFKR-DOMZBBRYSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@@H](C[C@@H](C)CO)NCc1cscn1 ZINC000309235309 385489388 /nfs/dbraw/zinc/48/93/88/385489388.db2.gz XKPJGGABHMJBGI-ZJUUUORDSA-N 0 1 228.361 2.030 20 0 BEADMN CCCCC[S@@](=O)C=C(O)c1ccc[nH]1 ZINC000180536239 385529494 /nfs/dbraw/zinc/52/94/94/385529494.db2.gz RIDVKSRJBOQNQT-OAHLLOKOSA-N 0 1 227.329 2.136 20 0 BEADMN CCc1ccc(NC(=O)N2CC(N(C)C)C2)cc1 ZINC000158114374 385548590 /nfs/dbraw/zinc/54/85/90/385548590.db2.gz XAJNTYBYHKNRLA-UHFFFAOYSA-N 0 1 247.342 2.027 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)Nc1nccs1 ZINC000171948579 385535950 /nfs/dbraw/zinc/53/59/50/385535950.db2.gz ONSJIVSVAUKLEO-SECBINFHSA-N 0 1 241.360 2.060 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000157988438 385541668 /nfs/dbraw/zinc/54/16/68/385541668.db2.gz PSZXJHRMHWSNAV-WDEREUQCSA-N 0 1 249.358 2.480 20 0 BEADMN Cc1ccnc(NCCCn2cccn2)c1 ZINC000158125622 385548959 /nfs/dbraw/zinc/54/89/59/385548959.db2.gz HZNBFENXEHFCOW-UHFFFAOYSA-N 0 1 216.288 2.089 20 0 BEADMN COC[C@@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000180493561 385525055 /nfs/dbraw/zinc/52/50/55/385525055.db2.gz CEHVACDVUAUVRA-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@H](C)CC)n[nH]1 ZINC000171867838 385525362 /nfs/dbraw/zinc/52/53/62/385525362.db2.gz IXIULOPZMOLNFF-SECBINFHSA-N 0 1 223.320 2.090 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C(C)C)c(F)c1 ZINC000198663905 385557342 /nfs/dbraw/zinc/55/73/42/385557342.db2.gz ISRPOIAHQGKINP-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN CCc1nc(CSCc2ccco2)n[nH]1 ZINC000181710723 385594738 /nfs/dbraw/zinc/59/47/38/385594738.db2.gz PYINWKCZRVBFQY-UHFFFAOYSA-N 0 1 223.301 2.394 20 0 BEADMN FC(F)O[C@H]1CCCC[C@@H]1NCc1cocn1 ZINC000337311917 385600795 /nfs/dbraw/zinc/60/07/95/385600795.db2.gz VMSHAMHZLBUWTK-UWVGGRQHSA-N 0 1 246.257 2.315 20 0 BEADMN O=C(CC1CC1)Nc1ncc(C(F)(F)F)[nH]1 ZINC000269528327 385603727 /nfs/dbraw/zinc/60/37/27/385603727.db2.gz MESVXKVZONBQBX-UHFFFAOYSA-N 0 1 233.193 2.167 20 0 BEADMN CC(C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181543464 385583328 /nfs/dbraw/zinc/58/33/28/385583328.db2.gz MGGKTTUTTHBSGT-AWEZNQCLSA-N 0 1 219.328 2.338 20 0 BEADMN FC(F)O[C@H]1CCC[C@@H]1NCc1cscn1 ZINC000337305403 385591538 /nfs/dbraw/zinc/59/15/38/385591538.db2.gz RGPXJTUCDSPTJY-IUCAKERBSA-N 0 1 248.298 2.393 20 0 BEADMN FC(F)O[C@H]1CCCC[C@@H]1NCc1cc[nH]n1 ZINC000337306550 385592698 /nfs/dbraw/zinc/59/26/98/385592698.db2.gz RVXHQVGBGCWYJM-UWVGGRQHSA-N 0 1 245.273 2.050 20 0 BEADMN CCCc1csc(CN[C@H](C)C[C@H](C)O)n1 ZINC000309491358 385618076 /nfs/dbraw/zinc/61/80/76/385618076.db2.gz XFTCFIZOYCDVOS-ZJUUUORDSA-N 0 1 242.388 2.345 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@H]2C2CC2)s1 ZINC000336724508 385618895 /nfs/dbraw/zinc/61/88/95/385618895.db2.gz FKTVCOYMXJSSGY-JQWIXIFHSA-N 0 1 238.356 2.109 20 0 BEADMN CCN(CC(=O)N(C)c1cccc(C)c1)C1CC1 ZINC000269652118 385619030 /nfs/dbraw/zinc/61/90/30/385619030.db2.gz MQJREGFPBCLRLS-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN CCCC(CCC)N[C@@H](C)c1ncn(C)n1 ZINC000309490979 385619041 /nfs/dbraw/zinc/61/90/41/385619041.db2.gz XDFPMBIAKQIIJP-JTQLQIEISA-N 0 1 224.352 2.435 20 0 BEADMN Cc1cnc(CN[C@@H]2CC23CCCC3)n1C ZINC000336679167 385622757 /nfs/dbraw/zinc/62/27/57/385622757.db2.gz CLQHEODMCMYXHE-LLVKDONJSA-N 0 1 219.332 2.151 20 0 BEADMN C[C@@H](N[C@H](CCO)c1ccccc1)c1cn[nH]c1 ZINC000280997716 385625403 /nfs/dbraw/zinc/62/54/03/385625403.db2.gz MHMOKFQGXXFWEI-BXUZGUMPSA-N 0 1 245.326 2.184 20 0 BEADMN CC[C@@H](C)OCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000269706692 385626648 /nfs/dbraw/zinc/62/66/48/385626648.db2.gz LVBZOCRFLMAWDE-SECBINFHSA-N 0 1 247.298 2.317 20 0 BEADMN CO[C@H](C)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000182085511 385632091 /nfs/dbraw/zinc/63/20/91/385632091.db2.gz ODAXJAHHSRZZIE-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN CO[C@H](C)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000182120082 385635196 /nfs/dbraw/zinc/63/51/96/385635196.db2.gz GRRZFBRLZLVXKR-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN CO[C@@H](C)CN1CCc2cc(F)ccc2C1 ZINC000182396773 385664942 /nfs/dbraw/zinc/66/49/42/385664942.db2.gz LMRJQQVEUFZNGM-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN CO[C@H](C)CN(Cc1ccccn1)C1CC1 ZINC000182398350 385665065 /nfs/dbraw/zinc/66/50/65/385665065.db2.gz ISSSVEJBOJVNIY-LLVKDONJSA-N 0 1 220.316 2.081 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229627569 385644493 /nfs/dbraw/zinc/64/44/93/385644493.db2.gz BMLNHRYNPHPGFD-SMDDNHRTSA-N 0 1 245.326 2.448 20 0 BEADMN CC(C)OC(=O)CCN[C@@H](C)c1nccs1 ZINC000184402439 385645628 /nfs/dbraw/zinc/64/56/28/385645628.db2.gz TXINWCPRHCTFRW-VIFPVBQESA-N 0 1 242.344 2.135 20 0 BEADMN CCC[C@H](C)c1nc(C2(N)CCC2)no1 ZINC000336733772 385646417 /nfs/dbraw/zinc/64/64/17/385646417.db2.gz GUYLQORYSVETHD-QMMMGPOBSA-N 0 1 209.293 2.311 20 0 BEADMN Cc1nnc([C@@H](C)NCC[C@@H]2CCCO2)s1 ZINC000309513089 385649899 /nfs/dbraw/zinc/64/98/99/385649899.db2.gz XWZSTUANLQBDAV-SCZZXKLOSA-N 0 1 241.360 2.066 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000340005971 385662807 /nfs/dbraw/zinc/66/28/07/385662807.db2.gz QJPFJUQQAWDKPC-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](C)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000337465988 385671694 /nfs/dbraw/zinc/67/16/94/385671694.db2.gz MMVUPZOKLVDMEH-HBNTYKKESA-N 0 1 217.378 2.016 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H](C)CC(C)C)[nH]1 ZINC000182264301 385672438 /nfs/dbraw/zinc/67/24/38/385672438.db2.gz UYTYIFCRYFCTND-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H](C)CC(C)C)n1 ZINC000182264301 385672443 /nfs/dbraw/zinc/67/24/43/385672443.db2.gz UYTYIFCRYFCTND-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN C[C@@H](O)CN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000281482680 385673491 /nfs/dbraw/zinc/67/34/91/385673491.db2.gz WSTHYRVYYUNMNK-MNOVXSKESA-N 0 1 246.310 2.373 20 0 BEADMN CC[C@H]1CN([C@H](C)c2cnccn2)CCCO1 ZINC000281477322 385674189 /nfs/dbraw/zinc/67/41/89/385674189.db2.gz SCBLDBDCEKLLCB-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H](NCc1csc(C)n1)[C@H](O)C(C)C ZINC000414527637 385677939 /nfs/dbraw/zinc/67/79/39/385677939.db2.gz NCENCBCWETXPLE-NWDGAFQWSA-N 0 1 242.388 2.337 20 0 BEADMN CC[C@@H](NCc1csc(C)n1)[C@H](O)C(C)C ZINC000414527639 385678540 /nfs/dbraw/zinc/67/85/40/385678540.db2.gz NCENCBCWETXPLE-VXGBXAGGSA-N 0 1 242.388 2.337 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CCC(C)(C)O2)o1 ZINC000311773801 385685672 /nfs/dbraw/zinc/68/56/72/385685672.db2.gz HSFYJLMXIGAFTM-NSHDSACASA-N 0 1 238.331 2.339 20 0 BEADMN Cc1c[nH]nc1CNC(C)(C)COC(C)C ZINC000414533589 385689390 /nfs/dbraw/zinc/68/93/90/385689390.db2.gz BPHMNZABLXTNJI-UHFFFAOYSA-N 0 1 225.336 2.011 20 0 BEADMN C[C@H](NCc1ncnn1C(C)(C)C)C1(C)CC1 ZINC000337541782 385703627 /nfs/dbraw/zinc/70/36/27/385703627.db2.gz JDDBIRWJSOQQBX-JTQLQIEISA-N 0 1 236.363 2.311 20 0 BEADMN CO[C@H]1CCN(Cc2cncc(F)c2)[C@H](C)C1 ZINC000281842883 385706562 /nfs/dbraw/zinc/70/65/62/385706562.db2.gz YOOIIPGLUMLJKI-MFKMUULPSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@@H]1CCN(Cc2cncc(F)c2)[C@@H](C)C1 ZINC000281842879 385707716 /nfs/dbraw/zinc/70/77/16/385707716.db2.gz YOOIIPGLUMLJKI-GXFFZTMASA-N 0 1 238.306 2.220 20 0 BEADMN C[C@H](O)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000281869069 385708816 /nfs/dbraw/zinc/70/88/16/385708816.db2.gz CACKNMFRLHVSOT-CABZTGNLSA-N 0 1 225.719 2.468 20 0 BEADMN CSCCCN[C@H](C)c1ccon1 ZINC000336653988 385718582 /nfs/dbraw/zinc/71/85/82/385718582.db2.gz MTYQBQXHFGCGIU-MRVPVSSYSA-N 0 1 200.307 2.078 20 0 BEADMN CC(C)COCCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000337448509 385667218 /nfs/dbraw/zinc/66/72/18/385667218.db2.gz DCPPWTUNIYQJLA-XQQFMLRXSA-N 0 1 229.364 2.157 20 0 BEADMN CC(C)CC[C@@H](O)CN[C@H](C)c1ccon1 ZINC000309525525 385667305 /nfs/dbraw/zinc/66/73/05/385667305.db2.gz AZBPEAZGRQLGCV-GHMZBOCLSA-N 0 1 226.320 2.122 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](CC(C)C)C2)[nH]1 ZINC000270107155 385669249 /nfs/dbraw/zinc/66/92/49/385669249.db2.gz OUZLPCINXQXXMZ-LLVKDONJSA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H](NC(=O)C(C)(C)C(C)(C)C)c1nnc[nH]1 ZINC000336654376 385728070 /nfs/dbraw/zinc/72/80/70/385728070.db2.gz HBGGAGKFPDGQON-MRVPVSSYSA-N 0 1 238.335 2.054 20 0 BEADMN C[C@@]12CN(Cc3cnns3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358423 385785637 /nfs/dbraw/zinc/78/56/37/385785637.db2.gz FXHGIFQBBILRSC-URBCHYCLSA-N 0 1 247.367 2.182 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H](C)[C@@H](C)CC)n1 ZINC000183054283 385731815 /nfs/dbraw/zinc/73/18/15/385731815.db2.gz UMICCNHJFGTKCW-VHSXEESVSA-N 0 1 237.347 2.269 20 0 BEADMN C[N@@H+](CCCc1ccccc1)C(C)(C)C(=O)[O-] ZINC000061172433 385735743 /nfs/dbraw/zinc/73/57/43/385735743.db2.gz FSLKDXGLGHGKNE-UHFFFAOYSA-N 0 1 235.327 2.414 20 0 BEADMN CC(C)=CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449257 385737710 /nfs/dbraw/zinc/73/77/10/385737710.db2.gz CGVUSBDDUDFVMU-AWEZNQCLSA-N 0 1 245.322 2.464 20 0 BEADMN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccsc1 ZINC000309602541 385737985 /nfs/dbraw/zinc/73/79/85/385737985.db2.gz XZDBHNLYBRFFIC-GXSJLCMTSA-N 0 1 238.356 2.020 20 0 BEADMN CC(C)=CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270755570 385740101 /nfs/dbraw/zinc/74/01/01/385740101.db2.gz NRBYXHKEHTWTIB-SECBINFHSA-N 0 1 236.319 2.072 20 0 BEADMN O=C(c1c(O)cccc1F)N1C[C@@H]2CCC[C@@H]2C1 ZINC000129237614 385741222 /nfs/dbraw/zinc/74/12/22/385741222.db2.gz MFRCKEVBHLVIEM-AOOOYVTPSA-N 0 1 249.285 2.403 20 0 BEADMN C/C=C(\C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270765251 385742681 /nfs/dbraw/zinc/74/26/81/385742681.db2.gz PQJIRGFECGHTPQ-ORZBULNSSA-N 0 1 236.319 2.072 20 0 BEADMN CCCCCC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000270803188 385745905 /nfs/dbraw/zinc/74/59/05/385745905.db2.gz WVGHYYDGEPPBST-SECBINFHSA-N 0 1 238.335 2.125 20 0 BEADMN CCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270815287 385748826 /nfs/dbraw/zinc/74/88/26/385748826.db2.gz YQKKUYNTWQFSMF-SECBINFHSA-N 0 1 238.335 2.296 20 0 BEADMN CC[C@](C)(O)C[N@@H+](C)Cc1scnc1C ZINC000186189695 385752034 /nfs/dbraw/zinc/75/20/34/385752034.db2.gz SMAAFVYDBILIJP-NSHDSACASA-N 0 1 228.361 2.044 20 0 BEADMN Cc1cnc(CN[C@@H]2CCCC2(C)C)nc1 ZINC000309627720 385757035 /nfs/dbraw/zinc/75/70/35/385757035.db2.gz GFOGKGKWCKGZPR-LLVKDONJSA-N 0 1 219.332 2.453 20 0 BEADMN CO[C@@H]1CCN(Cc2cncs2)[C@H](C)C1 ZINC000282409571 385758805 /nfs/dbraw/zinc/75/88/05/385758805.db2.gz SCJZQJREQKBBBA-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@H]1CCN(Cc2ncc(C)s2)[C@@H](C)C1 ZINC000282443676 385764982 /nfs/dbraw/zinc/76/49/82/385764982.db2.gz SARXMKVRHHCPOL-ONGXEEELSA-N 0 1 240.372 2.451 20 0 BEADMN CC(=O)CCN1CCN(c2ccc(C)cc2)CC1 ZINC000257770300 385774626 /nfs/dbraw/zinc/77/46/26/385774626.db2.gz HUYZONSHJLZGBZ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CCc1ncc(CN(CC)CCOC)s1 ZINC000271046204 385776500 /nfs/dbraw/zinc/77/65/00/385776500.db2.gz MAIKUZZTFRKSLD-UHFFFAOYSA-N 0 1 228.361 2.174 20 0 BEADMN CCc1ccc([C@@H](C)NC[C@H](O)C(F)F)o1 ZINC000309657120 385777193 /nfs/dbraw/zinc/77/71/93/385777193.db2.gz QFXZAQLJGLYKPV-APPZFPTMSA-N 0 1 233.258 2.119 20 0 BEADMN COC[C@@H](CC(C)C)N[C@@H](C)c1ccon1 ZINC000309660778 385778773 /nfs/dbraw/zinc/77/87/73/385778773.db2.gz RGMSLHYZCDIMSQ-WDEREUQCSA-N 0 1 226.320 2.386 20 0 BEADMN Cc1ccc(CN2CCN(C3CC3)CC2)cc1F ZINC000271063866 385781652 /nfs/dbraw/zinc/78/16/52/385781652.db2.gz ZGIUQBJKJRCPEJ-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN C[C@H](CN1CC(=O)NCC1(C)C)c1ccccc1 ZINC000282735271 385783398 /nfs/dbraw/zinc/78/33/98/385783398.db2.gz MUWASFMTORCOBQ-GFCCVEGCSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1noc(C)c1CN[C@H](C)COC(C)C ZINC000309596440 385724693 /nfs/dbraw/zinc/72/46/93/385724693.db2.gz WHGIVBJDHFQVMH-SECBINFHSA-N 0 1 226.320 2.195 20 0 BEADMN COCc1cnc(CN[C@H]2CC[C@H](F)C2)s1 ZINC000336691099 385726995 /nfs/dbraw/zinc/72/69/95/385726995.db2.gz KMOHWINQBFOLES-IUCAKERBSA-N 0 1 244.335 2.270 20 0 BEADMN Cc1nc(CCN(C)Cc2ccsc2)no1 ZINC000271191162 385800327 /nfs/dbraw/zinc/80/03/27/385800327.db2.gz SGCHSYSGBNDOMY-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN Cc1nocc1CNCCOc1ccc(C)cc1 ZINC000294098626 385805640 /nfs/dbraw/zinc/80/56/40/385805640.db2.gz MFZFAHZXHVMTKH-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CC23CCCCC3)c1C ZINC000271295895 385815428 /nfs/dbraw/zinc/81/54/28/385815428.db2.gz FQALKDTYFFKKAZ-LLVKDONJSA-N 0 1 247.342 2.479 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)nn1 ZINC000283299897 385815488 /nfs/dbraw/zinc/81/54/88/385815488.db2.gz YKMGVTVZKHRLHF-PWSUYJOCSA-N 0 1 235.331 2.248 20 0 BEADMN CN(CCc1cnccn1)Cc1ccccc1F ZINC000271321334 385816915 /nfs/dbraw/zinc/81/69/15/385816915.db2.gz JWJRCXBOUZUABA-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CC[C@@H](NCc1nnc(C)o1)C(C)(C)C ZINC000336740671 385818071 /nfs/dbraw/zinc/81/80/71/385818071.db2.gz URPAHAPIJHBBSQ-SECBINFHSA-N 0 1 211.309 2.292 20 0 BEADMN CC[C@H](NCc1nnc(C)o1)C(C)(C)C ZINC000336740672 385818466 /nfs/dbraw/zinc/81/84/66/385818466.db2.gz URPAHAPIJHBBSQ-VIFPVBQESA-N 0 1 211.309 2.292 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)NCc1cn[nH]c1C ZINC000294205024 385821502 /nfs/dbraw/zinc/82/15/02/385821502.db2.gz CBAFULACINIJGU-JQWIXIFHSA-N 0 1 235.331 2.161 20 0 BEADMN FC[C@@H]1CCCN1Cc1ccc2c[nH]nc2c1 ZINC000294200556 385822562 /nfs/dbraw/zinc/82/25/62/385822562.db2.gz XUQQCWCAQJUZLT-LBPRGKRZSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1oncc1NS(=O)(=O)C1=CCCCC1 ZINC000294234662 385825489 /nfs/dbraw/zinc/82/54/89/385825489.db2.gz ONTXDXMQPVMDEN-UHFFFAOYSA-N 0 1 242.300 2.183 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1ccn[nH]1 ZINC000283650166 385826870 /nfs/dbraw/zinc/82/68/70/385826870.db2.gz QEBKKCPPDMWNQN-JTQLQIEISA-N 0 1 235.331 2.451 20 0 BEADMN CO[C@H](C)CCNCc1c(F)ccc(O)c1F ZINC000294266697 385831370 /nfs/dbraw/zinc/83/13/70/385831370.db2.gz OFVBVJUEZKBJLP-MRVPVSSYSA-N 0 1 245.269 2.185 20 0 BEADMN C[C@H](NCc1ccncc1)c1cccnc1 ZINC000020139858 385831951 /nfs/dbraw/zinc/83/19/51/385831951.db2.gz BCSQHXDTYPAQSS-NSHDSACASA-N 0 1 213.284 2.327 20 0 BEADMN COC[C@@H](C)C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294282625 385833189 /nfs/dbraw/zinc/83/31/89/385833189.db2.gz PAKPSZPPKHMDQT-QMMMGPOBSA-N 0 1 245.269 2.043 20 0 BEADMN Cc1cn[nH]c1CN(C)c1ccccc1 ZINC000283862987 385837347 /nfs/dbraw/zinc/83/73/47/385837347.db2.gz DUSRREPACSAYOC-UHFFFAOYSA-N 0 1 201.273 2.355 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000262222364 385839431 /nfs/dbraw/zinc/83/94/31/385839431.db2.gz KPFVVKRNMXFUBQ-MDZLAQPJSA-N 0 1 233.311 2.338 20 0 BEADMN COc1cc(CN2CC(C)C2)cc(OC)c1 ZINC000438861476 385840788 /nfs/dbraw/zinc/84/07/88/385840788.db2.gz ULEORKJWEDTHKB-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1ccccc1Cl ZINC000283953810 385841376 /nfs/dbraw/zinc/84/13/76/385841376.db2.gz HROSKHCHEAEKDX-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN c1nn[n-]c1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000283969366 385842663 /nfs/dbraw/zinc/84/26/63/385842663.db2.gz LYJHSWNKRDNKMC-KBPBESRZSA-N 0 1 242.326 2.231 20 0 BEADMN CO[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000283994336 385845206 /nfs/dbraw/zinc/84/52/06/385845206.db2.gz NDSUHFXRGFUGGN-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@H](C(=O)Nc1ncccc1C(C)C)N(C)C ZINC000413645315 385849288 /nfs/dbraw/zinc/84/92/88/385849288.db2.gz VBINDKWAVOOBMU-GFCCVEGCSA-N 0 1 249.358 2.484 20 0 BEADMN CC[C@H](N[C@@H](C)c1nc(C)no1)C(C)C ZINC000336741284 385855848 /nfs/dbraw/zinc/85/58/48/385855848.db2.gz VKVVSSHXZSMXTB-WPRPVWTQSA-N 0 1 211.309 2.463 20 0 BEADMN Cc1noc(CN[C@@H]2CCC23CCCC3)n1 ZINC000309684560 385789445 /nfs/dbraw/zinc/78/94/45/385789445.db2.gz HAUQZMBXMMYRPC-SNVBAGLBSA-N 0 1 221.304 2.190 20 0 BEADMN CCc1ncc(C[N@@H+](C)CCCC(=O)[O-])s1 ZINC000309686183 385789522 /nfs/dbraw/zinc/78/95/22/385789522.db2.gz ODWXWCHINPDCED-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1nccs1 ZINC000308290365 385790126 /nfs/dbraw/zinc/79/01/26/385790126.db2.gz DNECBMPWZRXXDO-SFYZADRCSA-N 0 1 214.359 2.127 20 0 BEADMN Cc1ccc(O)c(CN2CCC[C@@H]2CF)n1 ZINC000294030494 385791491 /nfs/dbraw/zinc/79/14/91/385791491.db2.gz OCYKUCSMVKMAHC-SNVBAGLBSA-N 0 1 224.279 2.030 20 0 BEADMN COc1nccnc1CN1CCC(C(C)C)CC1 ZINC000294711096 385886036 /nfs/dbraw/zinc/88/60/36/385886036.db2.gz FNKSCJDFTJCEPJ-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)[C@H](NC(=O)CN(C)C)c1ccccc1 ZINC000284805625 385887381 /nfs/dbraw/zinc/88/73/81/385887381.db2.gz WMWGEYBVFXIVHJ-AWEZNQCLSA-N 0 1 234.343 2.062 20 0 BEADMN COc1nccnc1CN(C)[C@@H](C)C1(C)CC1 ZINC000294789498 385895840 /nfs/dbraw/zinc/89/58/40/385895840.db2.gz KODYKGNOUTTXNM-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)n1 ZINC000294781542 385895888 /nfs/dbraw/zinc/89/58/88/385895888.db2.gz KDBCKDNBCPMGAA-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC000294781542 385895890 /nfs/dbraw/zinc/89/58/90/385895890.db2.gz KDBCKDNBCPMGAA-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccnc1CN1CCC[C@@H](C)CC1 ZINC000294845016 385904066 /nfs/dbraw/zinc/90/40/66/385904066.db2.gz OLMSTGQTEVIGRB-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CCC[C@@]1(NCc2cc(C)no2)CCOC1 ZINC000336741722 385907725 /nfs/dbraw/zinc/90/77/25/385907725.db2.gz RIULRDFWQMPEJJ-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN CCC[C@H]1CCCN(Cc2nccnc2OC)C1 ZINC000294889611 385910086 /nfs/dbraw/zinc/91/00/86/385910086.db2.gz RKBBMYWXQPBWQR-LBPRGKRZSA-N 0 1 249.358 2.497 20 0 BEADMN CCN(CCO)[C@@H](C)c1nc2ccccc2o1 ZINC000272561417 385912285 /nfs/dbraw/zinc/91/22/85/385912285.db2.gz PTRBFKFHLYJZEE-JTQLQIEISA-N 0 1 234.299 2.203 20 0 BEADMN c1cncc(CN(C[C@@H]2CCCO2)C2CC2)c1 ZINC000272585699 385915647 /nfs/dbraw/zinc/91/56/47/385915647.db2.gz REMAGWZKDGAUMA-AWEZNQCLSA-N 0 1 232.327 2.225 20 0 BEADMN COCC[C@H](NCc1ccn(C)c1)c1ccco1 ZINC000272644346 385919931 /nfs/dbraw/zinc/91/99/31/385919931.db2.gz ZRDLULHOZPOXSS-ZDUSSCGKSA-N 0 1 248.326 2.486 20 0 BEADMN c1nc(CN[C@H]2CCC23CCCC3)co1 ZINC000336768003 385922787 /nfs/dbraw/zinc/92/27/87/385922787.db2.gz UBZSJAAJQRXXPP-NSHDSACASA-N 0 1 206.289 2.487 20 0 BEADMN CC[C@@H](NCC(F)(F)CO)[C@H]1CC1(C)C ZINC000397771713 385924786 /nfs/dbraw/zinc/92/47/86/385924786.db2.gz VAMNKYFOYDIQPL-RKDXNWHRSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1cn[nH]c1CN(C)[C@H](C)c1cccnc1 ZINC000284268963 385860251 /nfs/dbraw/zinc/86/02/51/385860251.db2.gz SIMASUQTGIEVSV-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN CC/C(C)=C/C(=O)Nc1c(C)n[nH]c1C ZINC000294538597 385864639 /nfs/dbraw/zinc/86/46/39/385864639.db2.gz QBZCKXJIDDPZCO-VOTSOKGWSA-N 0 1 207.277 2.321 20 0 BEADMN CN1CCN(c2cc(C(C)(C)C)ccn2)CC1 ZINC000201681369 385866666 /nfs/dbraw/zinc/86/66/66/385866666.db2.gz INCHMACXOBORTB-UHFFFAOYSA-N 0 1 233.359 2.131 20 0 BEADMN C[C@H](Cn1cccn1)N[C@@H](C)c1ccncc1F ZINC000338006509 385877181 /nfs/dbraw/zinc/87/71/81/385877181.db2.gz CSKRQQUPAPGVKL-MNOVXSKESA-N 0 1 248.305 2.157 20 0 BEADMN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccncc1F ZINC000338006510 385878072 /nfs/dbraw/zinc/87/80/72/385878072.db2.gz CSKRQQUPAPGVKL-QWRGUYRKSA-N 0 1 248.305 2.157 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccncc1F ZINC000338011741 385879208 /nfs/dbraw/zinc/87/92/08/385879208.db2.gz OKLURHOWZPRVML-XXILOJSOSA-N 0 1 238.306 2.031 20 0 BEADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccco1 ZINC000273231832 385979228 /nfs/dbraw/zinc/97/92/28/385979228.db2.gz CPSMFIDZMHMSGZ-MRVPVSSYSA-N 0 1 232.287 2.126 20 0 BEADMN CO[C@@H]1CCN([C@H](C)c2cnccn2)CC1(C)C ZINC000295155869 385980171 /nfs/dbraw/zinc/98/01/71/385980171.db2.gz AQKSNXDNGMSHIY-DGCLKSJQSA-N 0 1 249.358 2.285 20 0 BEADMN CO[C@@H]1CCN([C@@H](C)c2cnccn2)CC1(C)C ZINC000295155873 385981163 /nfs/dbraw/zinc/98/11/63/385981163.db2.gz AQKSNXDNGMSHIY-WCQYABFASA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@@H](COC)NCc1cc(F)cnc1Cl ZINC000295176652 385984019 /nfs/dbraw/zinc/98/40/19/385984019.db2.gz VBMHLCAVTSHTHU-JTQLQIEISA-N 0 1 246.713 2.389 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000414135141 385985221 /nfs/dbraw/zinc/98/52/21/385985221.db2.gz DEYPGFBDWQXPRM-LPEHRKFASA-N 0 1 226.345 2.361 20 0 BEADMN CCOC[C@@H](N[C@H](C)c1nccn1C)C(C)C ZINC000189355642 385988577 /nfs/dbraw/zinc/98/85/77/385988577.db2.gz SGIDKKNTGHMFGA-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CN(CCc1cscn1)Cc1ccccn1 ZINC000295192690 385989144 /nfs/dbraw/zinc/98/91/44/385989144.db2.gz RHTGBDUAUCBYPD-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN CC/C=C/CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414144646 385992373 /nfs/dbraw/zinc/99/23/73/385992373.db2.gz JTWSJUVSDQHUJB-SGUJLRQBSA-N 0 1 219.332 2.446 20 0 BEADMN CCCCC[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000071737498 385934469 /nfs/dbraw/zinc/93/44/69/385934469.db2.gz KFRDIVRZDUSNAC-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CC/C=C(\C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272795071 385934929 /nfs/dbraw/zinc/93/49/29/385934929.db2.gz UHJPZVBIHCSQOA-IGEMTJHASA-N 0 1 236.359 2.109 20 0 BEADMN C[C@@H](N[C@@H]1CCCOC1)c1c(F)cncc1F ZINC000285501831 385934975 /nfs/dbraw/zinc/93/49/75/385934975.db2.gz CWZQVPMADJNNEH-RKDXNWHRSA-N 0 1 242.269 2.189 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000414145177 385993067 /nfs/dbraw/zinc/99/30/67/385993067.db2.gz NTDHNMFACOQGOH-YFKTTZPYSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@@H](NC[C@H]1CCCCO1)c1cc2n(n1)CCC2 ZINC000414069879 385945391 /nfs/dbraw/zinc/94/53/91/385945391.db2.gz KSFGPBVUCIOXEX-DGCLKSJQSA-N 0 1 249.358 2.049 20 0 BEADMN CC/C=C\CCN(C)C(C)(C)C(=O)OC ZINC000342206338 385955448 /nfs/dbraw/zinc/95/54/48/385955448.db2.gz QTRQLINKNYKRQP-FPLPWBNLSA-N 0 1 213.321 2.226 20 0 BEADMN CC(C)C[C@H](N)c1noc(C(C)(C)F)n1 ZINC000414617768 385962106 /nfs/dbraw/zinc/96/21/06/385962106.db2.gz LVIPXBABNWFLFV-ZETCQYMHSA-N 0 1 215.272 2.320 20 0 BEADMN Cc1ccccc1CN1CCOCC12CC2 ZINC000335059045 385962027 /nfs/dbraw/zinc/96/20/27/385962027.db2.gz FAOWFUFYUNTXRM-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccccc1F ZINC000345052003 385962463 /nfs/dbraw/zinc/96/24/63/385962463.db2.gz QKNYRXNYNVNPQQ-TUAOUCFPSA-N 0 1 235.302 2.413 20 0 BEADMN CO[C@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000289985597 385963006 /nfs/dbraw/zinc/96/30/06/385963006.db2.gz YCTLJWAUBJKRGR-PSASIEDQSA-N 0 1 212.293 2.059 20 0 BEADMN COC[C@@]1(C)CCN(Cc2cncc(F)c2)C1 ZINC000295128743 385972126 /nfs/dbraw/zinc/97/21/26/385972126.db2.gz OEYKCCSZZIMMOL-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1nc(CN[C@H]2CCCc3cn[nH]c32)cs1 ZINC000335016786 385973954 /nfs/dbraw/zinc/97/39/54/385973954.db2.gz SHFPZUNQJFEURS-NSHDSACASA-N 0 1 248.355 2.342 20 0 BEADMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)CN(C)C)c1 ZINC000338345930 385974823 /nfs/dbraw/zinc/97/48/23/385974823.db2.gz IRGOPOAOYSEISL-CYBMUJFWSA-N 0 1 248.370 2.384 20 0 BEADMN CN[C@@H](C)c1cn(CCC2CCCC2)nn1 ZINC000309272586 385999855 /nfs/dbraw/zinc/99/98/55/385999855.db2.gz DRSVFAUEMUTRNC-JTQLQIEISA-N 0 1 222.336 2.139 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCc2ccoc2)n1 ZINC000414628909 386000855 /nfs/dbraw/zinc/00/08/55/386000855.db2.gz SUWSUXBUFJCXRV-NSHDSACASA-N 0 1 249.314 2.494 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)[C@@H](C)CN1C ZINC000335066843 386007484 /nfs/dbraw/zinc/00/74/84/386007484.db2.gz AIARLTZYVBFXTM-KGLIPLIRSA-N 0 1 232.371 2.254 20 0 BEADMN CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCC1 ZINC000273645690 386018953 /nfs/dbraw/zinc/01/89/53/386018953.db2.gz WFHACLQTBDDVQD-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCC1 ZINC000273645690 386018959 /nfs/dbraw/zinc/01/89/59/386018959.db2.gz WFHACLQTBDDVQD-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CC1(C)C[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000644854417 386024941 /nfs/dbraw/zinc/02/49/41/386024941.db2.gz XXFQIYXSQJUCRI-LLVKDONJSA-N 0 1 247.273 2.230 20 0 BEADMN FC(F)n1ccnc1CNC[C@@H]1CCC=CO1 ZINC000189566136 386026124 /nfs/dbraw/zinc/02/61/24/386026124.db2.gz KXIRTTKJXKQLSF-VIFPVBQESA-N 0 1 243.257 2.061 20 0 BEADMN CCCc1csc(CN[C@](C)(CC)CO)n1 ZINC000336771162 386028300 /nfs/dbraw/zinc/02/83/00/386028300.db2.gz UFXCHNPGRVEITH-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN CCN1C[C@@H](C)N(c2ncccc2F)C[C@@H]1C ZINC000345192659 386056818 /nfs/dbraw/zinc/05/68/18/386056818.db2.gz VGWUTEQDBJPVJQ-WDEREUQCSA-N 0 1 237.322 2.140 20 0 BEADMN CC[C@H]1COCCN1C[C@H](OC)c1ccccc1 ZINC000338544426 386035476 /nfs/dbraw/zinc/03/54/76/386035476.db2.gz OSTPICRHFLDVRC-GJZGRUSLSA-N 0 1 249.354 2.485 20 0 BEADMN CC(C)c1nc(CNC(=O)C2=CCCCC2)n[nH]1 ZINC000295459324 386036805 /nfs/dbraw/zinc/03/68/05/386036805.db2.gz PEMHTXSYBSLNFG-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN C[C@@H](O)C[C@@H](C)NCc1c(F)cccc1F ZINC000164564045 386036810 /nfs/dbraw/zinc/03/68/10/386036810.db2.gz QKLOHOPJNKELQQ-RKDXNWHRSA-N 0 1 229.270 2.214 20 0 BEADMN Cc1noc([C@@H](C)NC[C@H]2CC=CCC2)n1 ZINC000336728062 386040312 /nfs/dbraw/zinc/04/03/12/386040312.db2.gz CETBWGFYIYRJQX-KOLCDFICSA-N 0 1 221.304 2.385 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2CC=CCC2)n1 ZINC000336728061 386041414 /nfs/dbraw/zinc/04/14/14/386041414.db2.gz CETBWGFYIYRJQX-GXSJLCMTSA-N 0 1 221.304 2.385 20 0 BEADMN CCC1CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000335075118 386043041 /nfs/dbraw/zinc/04/30/41/386043041.db2.gz HWSFTXJPMQGZHJ-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN CCc1ccc(CSc2c[nH]nn2)nc1 ZINC000338555085 386048285 /nfs/dbraw/zinc/04/82/85/386048285.db2.gz SIYWHCGRVJOLEA-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@@H]1CCCC[C@@H]1C ZINC000334435515 386057801 /nfs/dbraw/zinc/05/78/01/386057801.db2.gz ZHKWSZXAOMATMJ-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN COC[C@H]1CCN1Cc1csc(C)c1 ZINC000295585767 386054917 /nfs/dbraw/zinc/05/49/17/386054917.db2.gz BTWIEGKJNCLFFK-LLVKDONJSA-N 0 1 211.330 2.277 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1csnn1 ZINC000414290642 386101722 /nfs/dbraw/zinc/10/17/22/386101722.db2.gz AFMSSDHJPKXBJN-YIZRAAEISA-N 0 1 211.334 2.377 20 0 BEADMN CC[C@H]1Cc2ccccc2C[N@H+]1CC1OCCO1 ZINC000274422137 386103272 /nfs/dbraw/zinc/10/32/72/386103272.db2.gz GPUAPWSXQQLFAG-AWEZNQCLSA-N 0 1 247.338 2.196 20 0 BEADMN CC[C@H]1Cc2ccccc2CN1CC1OCCO1 ZINC000274422137 386103278 /nfs/dbraw/zinc/10/32/78/386103278.db2.gz GPUAPWSXQQLFAG-AWEZNQCLSA-N 0 1 247.338 2.196 20 0 BEADMN Cc1cc(CC(=O)NCC(C)(C)C2CCC2)[nH]n1 ZINC000295916693 386105211 /nfs/dbraw/zinc/10/52/11/386105211.db2.gz CSFNIUMYPCLAKW-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN CCn1ccnc1NCc1ccnn1C(C)C ZINC000414297485 386105512 /nfs/dbraw/zinc/10/55/12/386105512.db2.gz IHZDMOGKSSTLIS-UHFFFAOYSA-N 0 1 233.319 2.293 20 0 BEADMN COC1([C@@H](C)N[C@H](C)c2ccn(C)n2)CCC1 ZINC000414297671 386105748 /nfs/dbraw/zinc/10/57/48/386105748.db2.gz GMABFRODPNWAEL-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN c1nc2cnccn2c1C[N@H+]1CCCC2(CC2)C1 ZINC000274477320 386108436 /nfs/dbraw/zinc/10/84/36/386108436.db2.gz LOUSFECXAMJNTE-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN c1nc2cnccn2c1CN1CCCC2(CC2)C1 ZINC000274477320 386108445 /nfs/dbraw/zinc/10/84/45/386108445.db2.gz LOUSFECXAMJNTE-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN CC[C@H]1CCCN([C@H](C)c2nncn2C)CC1 ZINC000334456918 386109672 /nfs/dbraw/zinc/10/96/72/386109672.db2.gz IBRJNWWQUCXNCF-NEPJUHHUSA-N 0 1 236.363 2.388 20 0 BEADMN Cc1nocc1CNc1nccn1CC(C)C ZINC000295960063 386114778 /nfs/dbraw/zinc/11/47/78/386114778.db2.gz LZYZFVSKXFRVBP-UHFFFAOYSA-N 0 1 234.303 2.448 20 0 BEADMN CC/C=C/CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000365479711 386120378 /nfs/dbraw/zinc/12/03/78/386120378.db2.gz WAYOGBJSMYFURJ-XDSYMSCESA-N 0 1 229.389 2.186 20 0 BEADMN CC/C=C/CCN1CC[S@](=O)CC[C@H]1C ZINC000365479711 386120383 /nfs/dbraw/zinc/12/03/83/386120383.db2.gz WAYOGBJSMYFURJ-XDSYMSCESA-N 0 1 229.389 2.186 20 0 BEADMN CC1CC(NCc2nnc(C3CC3)s2)C1 ZINC000414321851 386120688 /nfs/dbraw/zinc/12/06/88/386120688.db2.gz FWMWGGHAHXHSMK-UHFFFAOYSA-N 0 1 223.345 2.304 20 0 BEADMN CC1(C)CC(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000334435960 386058067 /nfs/dbraw/zinc/05/80/67/386058067.db2.gz GEFQACYEUBSRSU-LLVKDONJSA-N 0 1 247.342 2.340 20 0 BEADMN C[C@@H](NC[C@@H](O)CC1CCCC1)c1ccon1 ZINC000355321932 386060927 /nfs/dbraw/zinc/06/09/27/386060927.db2.gz SUWMOGVMGGZDPM-PWSUYJOCSA-N 0 1 238.331 2.266 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC(C2CC2)C1 ZINC000643290165 386061860 /nfs/dbraw/zinc/06/18/60/386061860.db2.gz IZMUGVKXMANWAW-UHFFFAOYSA-N 0 1 241.294 2.045 20 0 BEADMN CC[C@H](NCc1[nH]ncc1C)C(F)(F)F ZINC000336772642 386071993 /nfs/dbraw/zinc/07/19/93/386071993.db2.gz XWLSUKDISNUTLV-QMMMGPOBSA-N 0 1 221.226 2.149 20 0 BEADMN CC[C@H](NCc1c(C)cnn1C)c1ccncc1 ZINC000286757336 386073071 /nfs/dbraw/zinc/07/30/71/386073071.db2.gz ZCKKXLUENQUIJF-ZDUSSCGKSA-N 0 1 244.342 2.364 20 0 BEADMN COC(=O)CCN[C@H](C)c1cccc(F)c1F ZINC000234507880 386074483 /nfs/dbraw/zinc/07/44/83/386074483.db2.gz WPBYKFKOFWNFQA-MRVPVSSYSA-N 0 1 243.253 2.179 20 0 BEADMN CC1(C)CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000345244747 386078088 /nfs/dbraw/zinc/07/80/88/386078088.db2.gz GPQXPOCEYHOZBH-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN COC1([C@H](C)N[C@H](C)c2nccn2C)CCC1 ZINC000414302234 386080771 /nfs/dbraw/zinc/08/07/71/386080771.db2.gz KHNCXIOOKYJMHD-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN C[C@]1(F)CCN(CCc2ccccn2)C1 ZINC000334450274 386090179 /nfs/dbraw/zinc/09/01/79/386090179.db2.gz KQFNVWLXWOFHOE-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1ccc(Cl)o1 ZINC000334448142 386095748 /nfs/dbraw/zinc/09/57/48/386095748.db2.gz IRAAQSBJONHXOV-SECBINFHSA-N 0 1 228.723 2.069 20 0 BEADMN CN(CC1CCC1)C(=O)c1ccc2cncn2c1 ZINC000334458422 386099746 /nfs/dbraw/zinc/09/97/46/386099746.db2.gz KAELCDPQRQMJMN-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000083701308 386144800 /nfs/dbraw/zinc/14/48/00/386144800.db2.gz ZKROTWRLZIIDGN-WDEREUQCSA-N 0 1 211.305 2.116 20 0 BEADMN CO[C@H]1C[N@@H+](CCc2cscn2)CC[C@@H]1C ZINC000296168981 386146346 /nfs/dbraw/zinc/14/63/46/386146346.db2.gz ZGMIFKDRGYUGCG-JQWIXIFHSA-N 0 1 240.372 2.042 20 0 BEADMN Fc1cncc(CNc2cc3c(cn2)CCC3)c1 ZINC000334474040 386148682 /nfs/dbraw/zinc/14/86/82/386148682.db2.gz MCVAJYHTJVGLFO-UHFFFAOYSA-N 0 1 243.285 2.138 20 0 BEADMN CCc1ccc(CN2CC3(C2)CCOCC3)cn1 ZINC000335152773 386148724 /nfs/dbraw/zinc/14/87/24/386148724.db2.gz FCJKSXJLMOEGCT-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN C[C@]1(C(=O)Nc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC000335156461 386150029 /nfs/dbraw/zinc/15/00/29/386150029.db2.gz QNBHUYTVQBZVGN-JQWIXIFHSA-N 0 1 233.246 2.250 20 0 BEADMN CCc1ccc(CN2C[C@@H]3C[C@H]2CS3)cn1 ZINC000335155652 386150351 /nfs/dbraw/zinc/15/03/51/386150351.db2.gz MZKXCJJFXBGZMA-STQMWFEESA-N 0 1 234.368 2.334 20 0 BEADMN CC(C)C(C)(C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000335158862 386152094 /nfs/dbraw/zinc/15/20/94/386152094.db2.gz NBDPENAGGVACCT-JTQLQIEISA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](N[C@@H](C)C(=O)NC(C)C)c1ccncc1 ZINC000414351719 386154686 /nfs/dbraw/zinc/15/46/86/386154686.db2.gz WARBIEBDQKZCMG-AAEUAGOBSA-N 0 1 249.358 2.035 20 0 BEADMN CC1(C)CCC[C@@H](C(=O)NCc2cnc[nH]2)C1 ZINC000334476693 386158763 /nfs/dbraw/zinc/15/87/63/386158763.db2.gz PAAVLYZWTUMUEH-SNVBAGLBSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H](CC1CCCCC1)C(=O)N1CCNCC1 ZINC000077384068 386160801 /nfs/dbraw/zinc/16/08/01/386160801.db2.gz DQIYEWQGCVMKFH-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN COC(=O)CN(C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000346180228 386161037 /nfs/dbraw/zinc/16/10/37/386161037.db2.gz PUZHCYVNYRJKBB-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN CC1(C)C[C@H]1NCc1cc(F)ncc1F ZINC000296322924 386162133 /nfs/dbraw/zinc/16/21/33/386162133.db2.gz HGGSRJDFMBRQKC-SECBINFHSA-N 0 1 212.243 2.248 20 0 BEADMN CN(CCCc1ccccc1)C(=O)c1cnc[nH]1 ZINC000263640492 386162706 /nfs/dbraw/zinc/16/27/06/386162706.db2.gz ADAIFJUALZUOTF-UHFFFAOYSA-N 0 1 243.310 2.115 20 0 BEADMN CCN(CCc1ccccc1)C(=O)c1cnc[nH]1 ZINC000263667296 386163761 /nfs/dbraw/zinc/16/37/61/386163761.db2.gz KBNXXGAVTVHBIB-UHFFFAOYSA-N 0 1 243.310 2.115 20 0 BEADMN C[C@@H](CNc1ncnc2[nH]cnc21)CC(F)F ZINC000645304990 386167606 /nfs/dbraw/zinc/16/76/06/386167606.db2.gz KLVVVCSWRCSZMF-ZCFIWIBFSA-N 0 1 241.245 2.008 20 0 BEADMN C[C@H](CF)NCc1ccccc1N(C)C ZINC000336753865 386170227 /nfs/dbraw/zinc/17/02/27/386170227.db2.gz HXZJCDUAGRANLN-SNVBAGLBSA-N 0 1 210.296 2.200 20 0 BEADMN CC[C@@H](C)Cc1nc(C2(N)CCCC2)no1 ZINC000164657055 386178562 /nfs/dbraw/zinc/17/85/62/386178562.db2.gz SSSCOZXAPINMIK-SECBINFHSA-N 0 1 223.320 2.386 20 0 BEADMN CCC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000296528914 386182115 /nfs/dbraw/zinc/18/21/15/386182115.db2.gz QHOXJJDUXOWBPZ-LPZVBRGNSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H](CN1CCNC(=O)[C@H]1C)C1CCCCC1 ZINC000338956873 386184251 /nfs/dbraw/zinc/18/42/51/386184251.db2.gz WDCIXXSJCJVINS-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000647879854 386185144 /nfs/dbraw/zinc/18/51/44/386185144.db2.gz NHLWUXNKZUMGOV-GZMMTYOYSA-N 0 1 240.734 2.255 20 0 BEADMN CN(C(=O)c1ccc(F)cc1O)[C@H]1CC1(C)C ZINC000334460844 386125103 /nfs/dbraw/zinc/12/51/03/386125103.db2.gz NYZXEMUUIJIXIH-NSHDSACASA-N 0 1 237.274 2.402 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000224283058 386132354 /nfs/dbraw/zinc/13/23/54/386132354.db2.gz UADKMCPHEDBKHO-DGCLKSJQSA-N 0 1 233.311 2.037 20 0 BEADMN c1coc([C@@H]2C[C@H]2N[C@@H]2CCn3ccnc32)c1 ZINC000414344201 386136391 /nfs/dbraw/zinc/13/63/91/386136391.db2.gz KHHQXLQIUPHBMB-GMTAPVOTSA-N 0 1 229.283 2.067 20 0 BEADMN CSc1ccccc1CN(C)Cc1c[nH]nn1 ZINC000296146179 386142974 /nfs/dbraw/zinc/14/29/74/386142974.db2.gz XOCOUFDKOHPOEX-UHFFFAOYSA-N 0 1 248.355 2.159 20 0 BEADMN CC(F)(F)CCNCc1cc(F)ncc1F ZINC000296149342 386143153 /nfs/dbraw/zinc/14/31/53/386143153.db2.gz VVDIFTDLCFTXEA-UHFFFAOYSA-N 0 1 236.212 2.495 20 0 BEADMN Cc1ccncc1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000275333664 386200822 /nfs/dbraw/zinc/20/08/22/386200822.db2.gz WLZQBTDEIPJEDR-OKILXGFUSA-N 0 1 248.370 2.432 20 0 BEADMN CN[C@H](C)c1cn(Cc2cc(C)ccc2C)nn1 ZINC000311117568 386203736 /nfs/dbraw/zinc/20/37/36/386203736.db2.gz WTQUCTYYJOZURY-GFCCVEGCSA-N 0 1 244.342 2.224 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)C[C@@H](C)O1 ZINC000347049776 386203866 /nfs/dbraw/zinc/20/38/66/386203866.db2.gz INMJUJYXSFTOQJ-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN COC[C@@H](N[C@H](C)c1cc(C)on1)C1CC1 ZINC000282795679 386204652 /nfs/dbraw/zinc/20/46/52/386204652.db2.gz QLMAHJNUVYTDJJ-BXKDBHETSA-N 0 1 224.304 2.059 20 0 BEADMN CC[C@H](C)CN(CC)[C@H](C)c1nncn1C ZINC000347059543 386210039 /nfs/dbraw/zinc/21/00/39/386210039.db2.gz RZELLIUUOIXCAF-WDEREUQCSA-N 0 1 224.352 2.244 20 0 BEADMN C[C@H](CN(C)Cc1nnc[nH]1)C1CCCCC1 ZINC000339017994 386211788 /nfs/dbraw/zinc/21/17/88/386211788.db2.gz YJKDUZCHMUHNAC-LLVKDONJSA-N 0 1 236.363 2.453 20 0 BEADMN CC(C)=CCN(CCCO)Cc1ccccn1 ZINC000347072417 386215690 /nfs/dbraw/zinc/21/56/90/386215690.db2.gz DWRUWFSYLPWNEP-UHFFFAOYSA-N 0 1 234.343 2.232 20 0 BEADMN CC(C)C[C@H]1COCCN1CCOC1CCC1 ZINC000347074853 386217781 /nfs/dbraw/zinc/21/77/81/386217781.db2.gz LAPJHRNEBYJLRW-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H](NCc1cscn1)[C@@H](O)c1ccccc1 ZINC000288619684 386221772 /nfs/dbraw/zinc/22/17/72/386221772.db2.gz RMGRXDAUKPTWRQ-ZWNOBZJWSA-N 0 1 248.351 2.355 20 0 BEADMN Cc1csc(CNC[C@H]2CCC(C)(C)O2)n1 ZINC000166083832 386231385 /nfs/dbraw/zinc/23/13/85/386231385.db2.gz QRSAQYJAIYJRJL-SNVBAGLBSA-N 0 1 240.372 2.499 20 0 BEADMN COC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125171381 386232643 /nfs/dbraw/zinc/23/26/43/386232643.db2.gz ZFXIIVICGRMJCE-IONNQARKSA-N 0 1 214.334 2.137 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000347120063 386234248 /nfs/dbraw/zinc/23/42/48/386234248.db2.gz JZSXCFWFYJDAQT-DGCLKSJQSA-N 0 1 238.306 2.283 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000347120064 386235094 /nfs/dbraw/zinc/23/50/94/386235094.db2.gz JZSXCFWFYJDAQT-WCQYABFASA-N 0 1 238.306 2.283 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](Oc2ccncc2)C1 ZINC000347120065 386235528 /nfs/dbraw/zinc/23/55/28/386235528.db2.gz JZSXCFWFYJDAQT-YPMHNXCESA-N 0 1 238.306 2.283 20 0 BEADMN COC[C@@H](CC(C)C)Nc1ccc2nn[nH]c2c1 ZINC000347130236 386239337 /nfs/dbraw/zinc/23/93/37/386239337.db2.gz OERUXEBQXLIICW-LLVKDONJSA-N 0 1 248.330 2.431 20 0 BEADMN COC[C@@H](CC(C)C)Nc1ccc2n[nH]nc2c1 ZINC000347130236 386239340 /nfs/dbraw/zinc/23/93/40/386239340.db2.gz OERUXEBQXLIICW-LLVKDONJSA-N 0 1 248.330 2.431 20 0 BEADMN Cc1nc(CN2CCC[C@H]2CCO)c(C)s1 ZINC000336649424 386260633 /nfs/dbraw/zinc/26/06/33/386260633.db2.gz GXWSIXMTGWGNGW-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN CCC[C@H](C)N(C)Cc1cc(C)n(C)n1 ZINC000336649526 386261106 /nfs/dbraw/zinc/26/11/06/386261106.db2.gz RIFFVBHPUDORSL-JTQLQIEISA-N 0 1 209.337 2.349 20 0 BEADMN CCCCN(CCOC)Cc1ccc(C)nn1 ZINC000414390096 386252599 /nfs/dbraw/zinc/25/25/99/386252599.db2.gz VLNSZGVXFBTAJC-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN CC(C)N(CC(N)=O)Cc1ccc2occc2c1 ZINC000289034160 386253414 /nfs/dbraw/zinc/25/34/14/386253414.db2.gz HGRSMPJBCGLWRQ-UHFFFAOYSA-N 0 1 246.310 2.129 20 0 BEADMN CCN(Cc1cnc([C@H](C)O)s1)C(C)C ZINC000289037659 386253712 /nfs/dbraw/zinc/25/37/12/386253712.db2.gz HONLHQGQNTVECI-VIFPVBQESA-N 0 1 228.361 2.427 20 0 BEADMN CN(Cc1ccoc1)C[C@@H]1CCCCO1 ZINC000336646672 386254418 /nfs/dbraw/zinc/25/44/18/386254418.db2.gz LABKBZDEEYTPTG-LBPRGKRZSA-N 0 1 209.289 2.281 20 0 BEADMN Cc1nnc(CN(C(C)C)C2CCC2)o1 ZINC000336646520 386255116 /nfs/dbraw/zinc/25/51/16/386255116.db2.gz KQCUPOZIEKELGA-UHFFFAOYSA-N 0 1 209.293 2.141 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2scnc2C)C1 ZINC000289070531 386256273 /nfs/dbraw/zinc/25/62/73/386256273.db2.gz AFIXCOICCVJYNQ-AOOOYVTPSA-N 0 1 226.345 2.061 20 0 BEADMN CCC1(CC)CN(Cc2cccc(C(N)=O)c2)C1 ZINC000297437255 386256855 /nfs/dbraw/zinc/25/68/55/386256855.db2.gz NUFGDJCZANGJRN-UHFFFAOYSA-N 0 1 246.354 2.408 20 0 BEADMN COC[C@]1(C)CCN(Cc2ccc(F)cn2)C1 ZINC000296694067 386194833 /nfs/dbraw/zinc/19/48/33/386194833.db2.gz MBYAKNANFBWTMT-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1ccc(CCCN2CCOCC23CC3)cn1 ZINC000338994824 386197814 /nfs/dbraw/zinc/19/78/14/386197814.db2.gz CEWIGZQJRJTAGF-UHFFFAOYSA-N 0 1 246.354 2.187 20 0 BEADMN COc1ncncc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000648001294 386199776 /nfs/dbraw/zinc/19/97/76/386199776.db2.gz GEGWQPYSGBYGDN-WCQYABFASA-N 0 1 249.358 2.496 20 0 BEADMN CC[C@@H](C)CON=C([O-])Nc1cc[nH+]c(C)c1 ZINC000297897282 386284319 /nfs/dbraw/zinc/28/43/19/386284319.db2.gz XHJBABODGQNEDF-SECBINFHSA-N 0 1 237.303 2.489 20 0 BEADMN C[C@@H](NCc1ccc(CO)cc1)c1ccccn1 ZINC000133030361 386285831 /nfs/dbraw/zinc/28/58/31/386285831.db2.gz OVEAZINTBPQDAQ-GFCCVEGCSA-N 0 1 242.322 2.425 20 0 BEADMN COCc1cc(CN(C)[C@H](C)C(C)C)no1 ZINC000297923652 386287108 /nfs/dbraw/zinc/28/71/08/386287108.db2.gz UBIVHQZBUPFVRS-SNVBAGLBSA-N 0 1 226.320 2.297 20 0 BEADMN CSCCN(C)Cc1cccc(C)n1 ZINC000336672421 386304365 /nfs/dbraw/zinc/30/43/65/386304365.db2.gz MTEDVXJJBUQBHL-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN CCn1cncc1CNc1cc2c(cn1)CCC2 ZINC000416429823 386304733 /nfs/dbraw/zinc/30/47/33/386304733.db2.gz XHBGYGPYLGMKQO-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN COc1ccc(Cl)c(CN(C)CCCO)c1 ZINC000440962569 386306878 /nfs/dbraw/zinc/30/68/78/386306878.db2.gz URENVLAZOXEWEB-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN Cc1cn[nH]c1CNCc1cc(F)ccc1F ZINC000289467117 386309857 /nfs/dbraw/zinc/30/98/57/386309857.db2.gz IRVXLHPFDGGLDQ-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN COC[C@@H](NCc1[nH]ncc1C)c1ccc(C)o1 ZINC000289470208 386311629 /nfs/dbraw/zinc/31/16/29/386311629.db2.gz JADOEFIASARVBH-GFCCVEGCSA-N 0 1 249.314 2.097 20 0 BEADMN CCCCCNCc1cc(COC)on1 ZINC000298220302 386312478 /nfs/dbraw/zinc/31/24/78/386312478.db2.gz AIWKQIVICAOZPH-UHFFFAOYSA-N 0 1 212.293 2.101 20 0 BEADMN Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)nn1C ZINC000336678673 386318082 /nfs/dbraw/zinc/31/80/82/386318082.db2.gz BVBDEYRBWFMPHD-OCCSQVGLSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1cnn(CCN(C)[C@@H](C)c2ccco2)c1 ZINC000336679506 386320931 /nfs/dbraw/zinc/32/09/31/386320931.db2.gz ATBFVHDGBWVORQ-LBPRGKRZSA-N 0 1 233.315 2.478 20 0 BEADMN CCc1nnc(SC[C@H]2CCCC[C@H]2O)[nH]1 ZINC000408404822 386321247 /nfs/dbraw/zinc/32/12/47/386321247.db2.gz ASHNAERAUMYLEE-RKDXNWHRSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCCC[C@H]2O)n1 ZINC000408404822 386321252 /nfs/dbraw/zinc/32/12/52/386321252.db2.gz ASHNAERAUMYLEE-RKDXNWHRSA-N 0 1 241.360 2.010 20 0 BEADMN CCN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425521226 386322778 /nfs/dbraw/zinc/32/27/78/386322778.db2.gz JUDKLRDHMXOCBD-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1ccsc1CNC(=O)c1[nH]nc(C)c1C ZINC000265252983 386322934 /nfs/dbraw/zinc/32/29/34/386322934.db2.gz SPIRBASCGJEIDL-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1cnn(C)c1CN1CCc2ccccc2C1 ZINC000289168576 386269631 /nfs/dbraw/zinc/26/96/31/386269631.db2.gz RRJCJMBVRGSVFE-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN COCCN(CC[C@H](C)F)Cc1ccccn1 ZINC000347248706 386277697 /nfs/dbraw/zinc/27/76/97/386277697.db2.gz BFOAZDWOBWEPDS-LBPRGKRZSA-N 0 1 240.322 2.278 20 0 BEADMN COCc1cc(CN2CC[C@@H](C)[C@@H]2C)no1 ZINC000297763449 386278063 /nfs/dbraw/zinc/27/80/63/386278063.db2.gz LTYPNVJCEVIKSM-ZJUUUORDSA-N 0 1 224.304 2.051 20 0 BEADMN COC(=O)[C@@H](c1ccccc1)N1CC[C@@H](C)C1 ZINC000265470725 386341072 /nfs/dbraw/zinc/34/10/72/386341072.db2.gz PKGOWVBFPFRFFW-DGCLKSJQSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC(C)(C)O2)cs1 ZINC000166086414 386342717 /nfs/dbraw/zinc/34/27/17/386342717.db2.gz GNRFFMLUJMTZEV-NSHDSACASA-N 0 1 240.372 2.499 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2ccccc2n1 ZINC000339292766 386347088 /nfs/dbraw/zinc/34/70/88/386347088.db2.gz DVAVWNSKOAEZMG-AWEZNQCLSA-N 0 1 242.322 2.456 20 0 BEADMN CCCCCN(C(=O)c1cnc[nH]1)C(C)C ZINC000265585136 386350433 /nfs/dbraw/zinc/35/04/33/386350433.db2.gz GVUMHJFHUNNSIR-UHFFFAOYSA-N 0 1 223.320 2.451 20 0 BEADMN Cc1ccc(NC(=O)N2CCNC[C@@H]2C)c(C)c1 ZINC000335270025 386352934 /nfs/dbraw/zinc/35/29/34/386352934.db2.gz ABHIQSBYXCZUAK-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN COCc1cc(CNCCc2ccccc2)no1 ZINC000298493891 386353226 /nfs/dbraw/zinc/35/32/26/386353226.db2.gz QBTNYAZBAURNGM-UHFFFAOYSA-N 0 1 246.310 2.153 20 0 BEADMN COC[C@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000226652471 386355520 /nfs/dbraw/zinc/35/55/20/386355520.db2.gz VCMOQYOYRQUJTB-AWEZNQCLSA-N 0 1 245.326 2.195 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265702950 386362957 /nfs/dbraw/zinc/36/29/57/386362957.db2.gz ROPBDTBGIFPWSO-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CCOc1cccc(C[N@@H+](C)CCCCO)c1 ZINC000276696478 386365263 /nfs/dbraw/zinc/36/52/63/386365263.db2.gz SVWRZINBTKGDEW-UHFFFAOYSA-N 0 1 237.343 2.290 20 0 BEADMN CCOc1ccc(CNCc2n[nH]cc2C)cc1 ZINC000289894349 386368521 /nfs/dbraw/zinc/36/85/21/386368521.db2.gz MYMKXTUEHXSBSA-UHFFFAOYSA-N 0 1 245.326 2.407 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000276759572 386372670 /nfs/dbraw/zinc/37/26/70/386372670.db2.gz ACEUWAOQUDQLBQ-NXEZZACHSA-N 0 1 247.346 2.497 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000276759579 386372767 /nfs/dbraw/zinc/37/27/67/386372767.db2.gz ACEUWAOQUDQLBQ-VHSXEESVSA-N 0 1 247.346 2.497 20 0 BEADMN CC[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)C ZINC000298724078 386375992 /nfs/dbraw/zinc/37/59/92/386375992.db2.gz SGCPFEYOIOJVAD-CYBMUJFWSA-N 0 1 248.370 2.375 20 0 BEADMN Cc1nc(CN(C[C@H](C)O)C(C)C)c(C)s1 ZINC000336677471 386326774 /nfs/dbraw/zinc/32/67/74/386326774.db2.gz NZXMOHMWPSWIQB-VIFPVBQESA-N 0 1 242.388 2.351 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)C[C@@H]1C ZINC000335274357 386329877 /nfs/dbraw/zinc/32/98/77/386329877.db2.gz MMJGKOGZHRINKN-QWRGUYRKSA-N 0 1 222.336 2.089 20 0 BEADMN CC(C)n1ccc(CN2CC[C@H](C)C2)n1 ZINC000265343359 386330716 /nfs/dbraw/zinc/33/07/16/386330716.db2.gz QGECTJIJVGAGFN-NSHDSACASA-N 0 1 207.321 2.306 20 0 BEADMN Cc1cnccc1NC(=O)c1cn[nH]c1C1CC1 ZINC000276492126 386332653 /nfs/dbraw/zinc/33/26/53/386332653.db2.gz VHWPASOOTPAAFU-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CCCCOCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000265436381 386337659 /nfs/dbraw/zinc/33/76/59/386337659.db2.gz UKSXTFFEZXDOBQ-UHFFFAOYSA-N 0 1 247.298 2.318 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CCC=CO1 ZINC000276511501 386339127 /nfs/dbraw/zinc/33/91/27/386339127.db2.gz ZKNBQARYKWBNQN-CYBMUJFWSA-N 0 1 218.300 2.206 20 0 BEADMN CC[C@@H](c1ccccc1OC)[N@@H+](C)CCO ZINC000347545035 386447899 /nfs/dbraw/zinc/44/78/99/386447899.db2.gz UHHPTEUTAAMVKZ-LBPRGKRZSA-N 0 1 223.316 2.070 20 0 BEADMN C[C@@H]1CC[C@H](O)CN1Cc1nc2ccccc2o1 ZINC000399196921 386448309 /nfs/dbraw/zinc/44/83/09/386448309.db2.gz DMKAZUKLAINNEG-MNOVXSKESA-N 0 1 246.310 2.173 20 0 BEADMN Cc1cn[nH]c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000290543209 386448728 /nfs/dbraw/zinc/44/87/28/386448728.db2.gz WGMYFEPDWMDBTA-SECBINFHSA-N 0 1 247.264 2.492 20 0 BEADMN COc1ncncc1CN1CCC(C2CC2)CC1 ZINC000648038374 386449657 /nfs/dbraw/zinc/44/96/57/386449657.db2.gz XVBPQLMALJSMPX-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN CN(Cc1ccccc1)C[C@](C)(O)C(F)(F)F ZINC000281873378 386391461 /nfs/dbraw/zinc/39/14/61/386391461.db2.gz NOMDUWDEABBNBV-NSHDSACASA-N 0 1 247.260 2.432 20 0 BEADMN CN(Cc1ccncc1)[C@@H](CO)c1ccccc1 ZINC000266036104 386394282 /nfs/dbraw/zinc/39/42/82/386394282.db2.gz UFWQXNVYXHYVLM-HNNXBMFYSA-N 0 1 242.322 2.247 20 0 BEADMN C[C@H](O)CCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000336704824 386395699 /nfs/dbraw/zinc/39/56/99/386395699.db2.gz QQTKMPLOJXOAJG-GUTXKFCHSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1[nH]nc(-c2nc([C@@H](N)CC(C)C)no2)c1C ZINC000339367780 386396688 /nfs/dbraw/zinc/39/66/88/386396688.db2.gz QUYNBAUCIPEVTC-VIFPVBQESA-N 0 1 249.318 2.122 20 0 BEADMN Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000215481266 386400286 /nfs/dbraw/zinc/40/02/86/386400286.db2.gz XJEBFNNXJFHMCM-TZMCWYRMSA-N 0 1 247.338 2.456 20 0 BEADMN CC[C@H](NCCC(=O)OC)c1nc(C)cs1 ZINC000298971380 386400586 /nfs/dbraw/zinc/40/05/86/386400586.db2.gz PDIQDPUPEHSCOS-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN CCc1cc(C(=O)N(CC)C2CCCC2)n[nH]1 ZINC000298988951 386402686 /nfs/dbraw/zinc/40/26/86/386402686.db2.gz IHLVNIZRGQUOAJ-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN CCC[C@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000339393731 386403187 /nfs/dbraw/zinc/40/31/87/386403187.db2.gz GQHVIFPSENPMBJ-VIFPVBQESA-N 0 1 223.320 2.386 20 0 BEADMN Cc1ccoc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000277074266 386404320 /nfs/dbraw/zinc/40/43/20/386404320.db2.gz RPSFAEGKVIOSTH-UHFFFAOYSA-N 0 1 244.294 2.247 20 0 BEADMN CC(C)CCCN(CC(N)=O)Cc1ccccc1 ZINC000299039859 386406568 /nfs/dbraw/zinc/40/65/68/386406568.db2.gz MHUFMYNASPWTPS-UHFFFAOYSA-N 0 1 248.370 2.410 20 0 BEADMN C[C@@H]1OCC[N@@H+](CC[C@@H]2CCCCO2)[C@H]1C ZINC000347445491 386406982 /nfs/dbraw/zinc/40/69/82/386406982.db2.gz SZIYNVMNRBYLJT-AVGNSLFASA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)N(Cc1ccn(C(C)C)n1)C[C@H](C)O ZINC000336702572 386407360 /nfs/dbraw/zinc/40/73/60/386407360.db2.gz AFQSIWQWEAFDCC-LBPRGKRZSA-N 0 1 239.363 2.055 20 0 BEADMN Cc1cc(CNC[C@H]2CCCCS2)nn1C ZINC000414428319 386411083 /nfs/dbraw/zinc/41/10/83/386411083.db2.gz GQEITVZBXFOSMN-GFCCVEGCSA-N 0 1 239.388 2.104 20 0 BEADMN Cc1cc(C)n(CCN(C)Cc2ccoc2)n1 ZINC000336709063 386417749 /nfs/dbraw/zinc/41/77/49/386417749.db2.gz PQMSHWVLEUPSGM-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN CCn1nncc1CNC/C=C\c1ccccc1 ZINC000417907665 386418769 /nfs/dbraw/zinc/41/87/69/386418769.db2.gz AJQJJFJQVIVKBB-TWGQIWQCSA-N 0 1 242.326 2.101 20 0 BEADMN Cc1cc(CN(C)CC2CCCC2)nn1C ZINC000336709876 386421046 /nfs/dbraw/zinc/42/10/46/386421046.db2.gz XRIVRLUYODRIDR-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000299159808 386422109 /nfs/dbraw/zinc/42/21/09/386422109.db2.gz QMQSYUKYRFVOKE-BDAKNGLRSA-N 0 1 235.331 2.063 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000347523870 386429184 /nfs/dbraw/zinc/42/91/84/386429184.db2.gz CHGYUUJQZIRBIP-MWLCHTKSSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nnc(C2CC2)[nH]1 ZINC000347523870 386429190 /nfs/dbraw/zinc/42/91/90/386429190.db2.gz CHGYUUJQZIRBIP-MWLCHTKSSA-N 0 1 234.347 2.445 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)[C@]1(C)CCCO1 ZINC000453331765 386431756 /nfs/dbraw/zinc/43/17/56/386431756.db2.gz AHVYNDPDYAQTQU-UHXUPSOCSA-N 0 1 249.358 2.436 20 0 BEADMN Cc1cc(CN(C)CCc2ccccc2)nn1C ZINC000336714777 386432611 /nfs/dbraw/zinc/43/26/11/386432611.db2.gz QMAWXUJPPOSUCK-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000519415953 386434158 /nfs/dbraw/zinc/43/41/58/386434158.db2.gz MXLARFUACZIJJS-UHFFFAOYSA-N 0 1 247.298 2.398 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](C(C)C)C2)n1 ZINC000336734450 386466964 /nfs/dbraw/zinc/46/69/64/386466964.db2.gz VORNZFWYGOSTEU-LLVKDONJSA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](C(C)C)C2)n1 ZINC000336734450 386466967 /nfs/dbraw/zinc/46/69/67/386466967.db2.gz VORNZFWYGOSTEU-LLVKDONJSA-N 0 1 249.358 2.223 20 0 BEADMN COC(=O)CN(C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000191050104 386467211 /nfs/dbraw/zinc/46/72/11/386467211.db2.gz RTXOFUUVKXAGNX-VXGBXAGGSA-N 0 1 225.332 2.084 20 0 BEADMN CCOc1cccc(CN2C[C@H](C)[C@@H]2C)n1 ZINC000339570654 386469592 /nfs/dbraw/zinc/46/95/92/386469592.db2.gz XVROISKPNIFJIV-QWRGUYRKSA-N 0 1 220.316 2.321 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N1C[C@@H](C)[C@H]1C ZINC000339570813 386470157 /nfs/dbraw/zinc/47/01/57/386470157.db2.gz XGYAVGPGGHNLOH-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccccc1 ZINC000519525812 386475993 /nfs/dbraw/zinc/47/59/93/386475993.db2.gz YQLICSBTXACJIC-CYBMUJFWSA-N 0 1 247.342 2.245 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1C[C@@H](C)[C@@H]1C ZINC000339566344 386477455 /nfs/dbraw/zinc/47/74/55/386477455.db2.gz IZRWXEVOARCPIU-AGIUHOORSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](C)[C@H]1C ZINC000339566347 386477696 /nfs/dbraw/zinc/47/76/96/386477696.db2.gz IZRWXEVOARCPIU-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000607286152 386478420 /nfs/dbraw/zinc/47/84/20/386478420.db2.gz DXRLFNZSPUSKAE-LLVKDONJSA-N 0 1 235.331 2.059 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cncn1C ZINC000335428211 386482725 /nfs/dbraw/zinc/48/27/25/386482725.db2.gz NIJVJTJWTOAHAF-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CNCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000335432700 386489451 /nfs/dbraw/zinc/48/94/51/386489451.db2.gz CYEIHVJPVPCMKF-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cnccn1)CC(C)C ZINC000417358789 386490455 /nfs/dbraw/zinc/49/04/55/386490455.db2.gz IDOXOAPPUHKPIV-VXGBXAGGSA-N 0 1 237.347 2.188 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1nccn1C)CC(C)C ZINC000417330496 386501569 /nfs/dbraw/zinc/50/15/69/386501569.db2.gz DXADQGKYDKFDND-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3ccco3)C2)c1 ZINC000291023029 386503021 /nfs/dbraw/zinc/50/30/21/386503021.db2.gz XWHAHYSTQKODEH-LBPRGKRZSA-N 0 1 231.299 2.232 20 0 BEADMN Cc1ccoc1C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000335444058 386506474 /nfs/dbraw/zinc/50/64/74/386506474.db2.gz RBXICOZIKSMCGG-GXSJLCMTSA-N 0 1 237.299 2.131 20 0 BEADMN CC[N@@H+](CCOC)Cc1ccc(C)c(OC)c1 ZINC000278277153 386507018 /nfs/dbraw/zinc/50/70/18/386507018.db2.gz SMHPEOSHBFJALS-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN c1nc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c[nH]1 ZINC000366454553 386507784 /nfs/dbraw/zinc/50/77/84/386507784.db2.gz DCZXFWGXJBZSPS-QWHCGFSZSA-N 0 1 249.358 2.048 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)[nH]1 ZINC000291141028 386515605 /nfs/dbraw/zinc/51/56/05/386515605.db2.gz PBICATIXYZWYBS-LBPRGKRZSA-N 0 1 245.326 2.123 20 0 BEADMN CN1CCC[C@@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC000645315950 386517638 /nfs/dbraw/zinc/51/76/38/386517638.db2.gz UETWNBSYBANJJB-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc[nH]1 ZINC000428052726 386520464 /nfs/dbraw/zinc/52/04/64/386520464.db2.gz ZYRKKOZUVOCXIF-UHFFFAOYSA-N 0 1 244.229 2.282 20 0 BEADMN CCC[C@@]1(C)C(=O)NCCN1Cc1ccccc1 ZINC000187348941 386523825 /nfs/dbraw/zinc/52/38/25/386523825.db2.gz MISIHVFUFJSGTF-HNNXBMFYSA-N 0 1 246.354 2.177 20 0 BEADMN Cc1cc(C(=O)N(Cc2ccco2)C(C)C)n[nH]1 ZINC000299413723 386453414 /nfs/dbraw/zinc/45/34/14/386453414.db2.gz DUPYMVQDXNODOO-UHFFFAOYSA-N 0 1 247.298 2.362 20 0 BEADMN CSCC[C@H](C)N(C)Cc1n[nH]cc1C ZINC000290567573 386453993 /nfs/dbraw/zinc/45/39/93/386453993.db2.gz YEFPLNCLOPSETM-JTQLQIEISA-N 0 1 227.377 2.292 20 0 BEADMN COc1ncccc1CCNc1cc(C)ccn1 ZINC000290589458 386456971 /nfs/dbraw/zinc/45/69/71/386456971.db2.gz BBDHGHSUVUZQKD-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN CCOc1nnc(CN[C@@H]2CCC[C@H]2C)s1 ZINC000336778268 386457437 /nfs/dbraw/zinc/45/74/37/386457437.db2.gz KWGUVKSUKJGYEK-RKDXNWHRSA-N 0 1 241.360 2.215 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1cn(C(C)C)nn1 ZINC000347578091 386458373 /nfs/dbraw/zinc/45/83/73/386458373.db2.gz CYZZZEJVJNMERX-ZDUSSCGKSA-N 0 1 236.363 2.479 20 0 BEADMN C[N@@H+](CCO)CCSc1ccc(Cl)cc1 ZINC000267923979 386598299 /nfs/dbraw/zinc/59/82/99/386598299.db2.gz NVZSZDSPIZIIPG-UHFFFAOYSA-N 0 1 245.775 2.356 20 0 BEADMN FC(F)(F)C[C@@H]1CCN(Cc2ccno2)C1 ZINC000278754182 386579290 /nfs/dbraw/zinc/57/92/90/386579290.db2.gz MGBGYXKEVPJSIE-QMMMGPOBSA-N 0 1 234.221 2.449 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cnc(C)s1 ZINC000062337011 386580935 /nfs/dbraw/zinc/58/09/35/386580935.db2.gz IFRSVVVCYJBUCE-MRVPVSSYSA-N 0 1 242.344 2.137 20 0 BEADMN Cc1cc(CN(C(C)C)C2CC2)n(C)n1 ZINC000417711374 386582887 /nfs/dbraw/zinc/58/28/87/386582887.db2.gz DMQGSFFNNMQWJA-UHFFFAOYSA-N 0 1 207.321 2.101 20 0 BEADMN CCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314591490 386584940 /nfs/dbraw/zinc/58/49/40/386584940.db2.gz HDEKWVSEFKPLRF-MRVPVSSYSA-N 0 1 242.344 2.380 20 0 BEADMN CC(C)CC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000062622147 386587050 /nfs/dbraw/zinc/58/70/50/386587050.db2.gz JFRALWRWYCSHKZ-CQSZACIVSA-N 0 1 246.354 2.206 20 0 BEADMN CCc1ccccc1CNCc1cnnn1CC ZINC000417938499 386589253 /nfs/dbraw/zinc/58/92/53/386589253.db2.gz IRCFGNFDCZDYLO-UHFFFAOYSA-N 0 1 244.342 2.150 20 0 BEADMN Cc1nc(C[S@@](=O)[C@H](C)c2ccccc2)n[nH]1 ZINC000291860969 386592979 /nfs/dbraw/zinc/59/29/79/386592979.db2.gz GOHZFGGTSUTVAT-VVVCHXIZSA-N 0 1 249.339 2.123 20 0 BEADMN Cc1cccc(CCN2CCO[C@@H]3CCC[C@H]32)n1 ZINC000335421735 386593234 /nfs/dbraw/zinc/59/32/34/386593234.db2.gz VVGAXQJGYHEWET-HUUCEWRRSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1cccc(CCN2CCO[C@H]3CCC[C@@H]32)n1 ZINC000335421733 386594865 /nfs/dbraw/zinc/59/48/65/386594865.db2.gz VVGAXQJGYHEWET-GJZGRUSLSA-N 0 1 246.354 2.186 20 0 BEADMN CCN(C)C(=O)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000267351558 386531903 /nfs/dbraw/zinc/53/19/03/386531903.db2.gz NQLLFSNKUWETJT-SWLSCSKDSA-N 0 1 246.354 2.158 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000061803708 386534403 /nfs/dbraw/zinc/53/44/03/386534403.db2.gz UEMFWXMQHXGMJT-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000061803706 386534916 /nfs/dbraw/zinc/53/49/16/386534916.db2.gz UEMFWXMQHXGMJT-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCCC[C@H]2C)cc1 ZINC000228075682 386537171 /nfs/dbraw/zinc/53/71/71/386537171.db2.gz NJXPROADJLVUSA-TZMCWYRMSA-N 0 1 246.354 2.396 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC2CCCC2)cc1 ZINC000228074944 386537364 /nfs/dbraw/zinc/53/73/64/386537364.db2.gz VWADXLQDEPNFGC-ZDUSSCGKSA-N 0 1 232.327 2.054 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC2(C)CCC2)cc1 ZINC000228089264 386540738 /nfs/dbraw/zinc/54/07/38/386540738.db2.gz CIRYQSVEVNKXDJ-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@@H]2C)cc1 ZINC000228085787 386541938 /nfs/dbraw/zinc/54/19/38/386541938.db2.gz YVNMYSDQHRBOPH-WCQYABFASA-N 0 1 232.327 2.006 20 0 BEADMN Cc1csc(CN2CCC[C@@H]2C[C@H](C)O)n1 ZINC000228145195 386547470 /nfs/dbraw/zinc/54/74/70/386547470.db2.gz JJPJOQLDJOZOQM-WDEREUQCSA-N 0 1 240.372 2.187 20 0 BEADMN Cc1cccc(CCN2CCOC(C)(C)[C@@H]2C)n1 ZINC000335462867 386547626 /nfs/dbraw/zinc/54/76/26/386547626.db2.gz OVIARQOZVLXTCW-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN Cn1cc(CN2CC[C@@H](CC(F)(F)F)C2)cn1 ZINC000278561800 386550573 /nfs/dbraw/zinc/55/05/73/386550573.db2.gz BMKZVKVTOXENIV-VIFPVBQESA-N 0 1 247.264 2.194 20 0 BEADMN CC(C)c1nnc(CNC[C@@H]2C[C@@H]2C)s1 ZINC000336755942 386550499 /nfs/dbraw/zinc/55/04/99/386550499.db2.gz JCAXPUKDJSUJIF-IUCAKERBSA-N 0 1 225.361 2.407 20 0 BEADMN C[C@H]1C[N@@H+](CC[C@H]2CCCO2)CC2(CCC2)O1 ZINC000335465996 386554548 /nfs/dbraw/zinc/55/45/48/386554548.db2.gz ZHPPBOFYCQFHKB-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1cn[nH]c1CN1CCCc2occc2C1 ZINC000291526068 386555319 /nfs/dbraw/zinc/55/53/19/386555319.db2.gz JQPDOWDWKCHKJM-UHFFFAOYSA-N 0 1 231.299 2.260 20 0 BEADMN COC[C@H](CC(C)C)NCc1cc(C)no1 ZINC000336756210 386555721 /nfs/dbraw/zinc/55/57/21/386555721.db2.gz GUVMNBJURSKQAX-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN Cn1cncc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000267589225 386556747 /nfs/dbraw/zinc/55/67/47/386556747.db2.gz IRWMCNWPKVFWFZ-CYBMUJFWSA-N 0 1 230.315 2.085 20 0 BEADMN Cn1cccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000291566679 386557481 /nfs/dbraw/zinc/55/74/81/386557481.db2.gz NMLBPAAGGXTYNO-KBPBESRZSA-N 0 1 248.370 2.415 20 0 BEADMN Cc1nc(CSc2ccoc2C)n[nH]1 ZINC000291593053 386558369 /nfs/dbraw/zinc/55/83/69/386558369.db2.gz HUJXNMFMHQTTGL-UHFFFAOYSA-N 0 1 209.274 2.307 20 0 BEADMN CCSCCN[C@H](C)c1nnc(C)s1 ZINC000336644821 386597601 /nfs/dbraw/zinc/59/76/01/386597601.db2.gz ASWAPJCBRKTEQX-SSDOTTSWSA-N 0 1 231.390 2.250 20 0 BEADMN Cc1cn[nH]c1CN1CCOCc2ccccc21 ZINC000291673453 386567492 /nfs/dbraw/zinc/56/74/92/386567492.db2.gz WNFIEOUTFXSVBN-UHFFFAOYSA-N 0 1 243.310 2.255 20 0 BEADMN CC[C@H]1CCCC[C@H]1NCC(F)(F)CO ZINC000184703770 386621622 /nfs/dbraw/zinc/62/16/22/386621622.db2.gz JMTTXFLGXRFOKH-VHSXEESVSA-N 0 1 221.291 2.172 20 0 BEADMN C[C@H](CF)NCc1ccc2c[nH]nc2c1 ZINC000336758090 386625476 /nfs/dbraw/zinc/62/54/76/386625476.db2.gz KLVLSFKFVWVPEX-MRVPVSSYSA-N 0 1 207.252 2.011 20 0 BEADMN CCC[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000268165782 386625573 /nfs/dbraw/zinc/62/55/73/386625573.db2.gz JDLBZYDLJNNAJG-NSHDSACASA-N 0 1 235.331 2.370 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000268165779 386626250 /nfs/dbraw/zinc/62/62/50/386626250.db2.gz JDLBZYDLJNNAJG-LLVKDONJSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1csc([C@@H](C)NCC2(O)CCC2)n1 ZINC000336758118 386626291 /nfs/dbraw/zinc/62/62/91/386626291.db2.gz KNFYVLNNSCPHLH-SECBINFHSA-N 0 1 226.345 2.017 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000268149040 386626362 /nfs/dbraw/zinc/62/63/62/386626362.db2.gz FSRQSSJPZXAPIZ-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN Cc1nc(CN2CCC[C@H]2c2ccccc2)n[nH]1 ZINC000292181458 386631928 /nfs/dbraw/zinc/63/19/28/386631928.db2.gz MWJRWXDGHFWZQY-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@@H](C2CCCC2)C1 ZINC000335502833 386632627 /nfs/dbraw/zinc/63/26/27/386632627.db2.gz KJQIYBPCGLRJMR-WCQYABFASA-N 0 1 248.374 2.388 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000335505310 386636116 /nfs/dbraw/zinc/63/61/16/386636116.db2.gz XRHFJKBUROJUIW-GFCCVEGCSA-N 0 1 234.347 2.125 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CCCC3)C2)[nH]1 ZINC000335505312 386637402 /nfs/dbraw/zinc/63/74/02/386637402.db2.gz XRHFJKBUROJUIW-LBPRGKRZSA-N 0 1 234.347 2.125 20 0 BEADMN COCCC1(C)CN(Cc2ccoc2C)C1 ZINC000414469122 386638431 /nfs/dbraw/zinc/63/84/31/386638431.db2.gz ZVRDYWDTNJFMED-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000279144818 386639489 /nfs/dbraw/zinc/63/94/89/386639489.db2.gz ZNYRANFPIPFDOH-PSASIEDQSA-N 0 1 248.330 2.296 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000268323289 386641422 /nfs/dbraw/zinc/64/14/22/386641422.db2.gz LMLJPMFSYHFZDJ-GHMZBOCLSA-N 0 1 249.310 2.298 20 0 BEADMN C[C@@H](NCc1ccc2c(c1)COC2)c1cn[nH]c1 ZINC000339795389 386642327 /nfs/dbraw/zinc/64/23/27/386642327.db2.gz PAZSGMMCSBMFQP-SNVBAGLBSA-N 0 1 243.310 2.291 20 0 BEADMN Cc1nc(CN([C@H](C)c2ccco2)C2CC2)n[nH]1 ZINC000292303966 386647209 /nfs/dbraw/zinc/64/72/09/386647209.db2.gz ACZSAKYWKKFWPX-SECBINFHSA-N 0 1 246.314 2.432 20 0 BEADMN Cc1noc(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC000335512778 386650439 /nfs/dbraw/zinc/65/04/39/386650439.db2.gz VSELSESDAYNNFT-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278884600 386599729 /nfs/dbraw/zinc/59/97/29/386599729.db2.gz PPWGEUKQVNMJBB-NSHDSACASA-N 0 1 238.306 2.472 20 0 BEADMN Cc1cc(C)c2c(c1)C[N@@H+]([C@H](C)C(=O)[O-])CC2 ZINC000263582768 386606616 /nfs/dbraw/zinc/60/66/16/386606616.db2.gz ZACOCRAHLNQUIM-LLVKDONJSA-N 0 1 233.311 2.135 20 0 BEADMN COC[C@H](N[C@H]1CS[C@@H](C)C1)c1ccco1 ZINC000638722741 386608557 /nfs/dbraw/zinc/60/85/57/386608557.db2.gz VIBJYKOCVISBQQ-AXFHLTTASA-N 0 1 241.356 2.451 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000268015124 386609574 /nfs/dbraw/zinc/60/95/74/386609574.db2.gz AUOYYEIPLZLSDO-NXEZZACHSA-N 0 1 237.347 2.202 20 0 BEADMN C[C@@H](O)CC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000335520944 386659250 /nfs/dbraw/zinc/65/92/50/386659250.db2.gz LKNKHRVEOCWVLW-MNOVXSKESA-N 0 1 205.301 2.334 20 0 BEADMN CC[C@H]1CCN1Cc1ccnn1C(C)C ZINC000292400625 386662128 /nfs/dbraw/zinc/66/21/28/386662128.db2.gz LGKGVIJZXZTWAN-NSHDSACASA-N 0 1 207.321 2.448 20 0 BEADMN Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000335526513 386670557 /nfs/dbraw/zinc/67/05/57/386670557.db2.gz BHBQIIWNUIBBRS-GHMZBOCLSA-N 0 1 221.348 2.349 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000520426552 386671493 /nfs/dbraw/zinc/67/14/93/386671493.db2.gz LRXYUYZMSNQBDT-QJPTWQEYSA-N 0 1 249.358 2.093 20 0 BEADMN COC(=O)CN(C[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000357004076 386682488 /nfs/dbraw/zinc/68/24/88/386682488.db2.gz OYKMBCUFAYHGFB-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN CCc1noc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000645015516 386672731 /nfs/dbraw/zinc/67/27/31/386672731.db2.gz MLPVYHAQFTZDJY-VQXHTEKXSA-N 0 1 235.331 2.300 20 0 BEADMN Cc1nccnc1[C@@H](C)NCCOC1CCCC1 ZINC000187884165 386673492 /nfs/dbraw/zinc/67/34/92/386673492.db2.gz NBWVVPFCFMEVLT-GFCCVEGCSA-N 0 1 249.358 2.395 20 0 BEADMN COCC1(CNC(C)(C)C(F)F)CCC1 ZINC000639121336 386674571 /nfs/dbraw/zinc/67/45/71/386674571.db2.gz ZFEFIKIGLUROMP-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN CCN(C(=O)c1cnc(C)[nH]1)C1CCCC1 ZINC000268647723 386675900 /nfs/dbraw/zinc/67/59/00/386675900.db2.gz CXRZZBBBUUXJJO-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1ccncn1 ZINC000396118863 386679049 /nfs/dbraw/zinc/67/90/49/386679049.db2.gz YGFRHEYAVREXEE-NSHDSACASA-N 0 1 235.331 2.086 20 0 BEADMN CC[C@H](O)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000292498575 386680060 /nfs/dbraw/zinc/68/00/60/386680060.db2.gz SHKLETYKEJUJRO-QWHCGFSZSA-N 0 1 234.343 2.235 20 0 BEADMN CC[C@H](C)C[C@H](CC)NCC(F)(F)CN ZINC000414926411 386658178 /nfs/dbraw/zinc/65/81/78/386658178.db2.gz JINZYUXZIUMVHP-UWVGGRQHSA-N 0 1 222.323 2.385 20 0 BEADMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)C(C)(C)C ZINC000335520560 386658885 /nfs/dbraw/zinc/65/88/85/386658885.db2.gz HPNKKDXLBKZTJB-VIFPVBQESA-N 0 1 235.331 2.087 20 0 BEADMN CC(C)n1nccc1CN(C)[C@@H]1CCSC1 ZINC000279617891 386709241 /nfs/dbraw/zinc/70/92/41/386709241.db2.gz JQZWLZYLDYXUGR-GFCCVEGCSA-N 0 1 239.388 2.401 20 0 BEADMN Cn1ccc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000357077704 386709800 /nfs/dbraw/zinc/70/98/00/386709800.db2.gz OBFXBDWGKRYRMA-UHFFFAOYSA-N 0 1 240.266 2.154 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C2CCC2)nc1 ZINC000357006252 386682968 /nfs/dbraw/zinc/68/29/68/386682968.db2.gz AUDLQYZWUNYPKS-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cn(CC2CC2)nn1 ZINC000450762485 386683143 /nfs/dbraw/zinc/68/31/43/386683143.db2.gz HAKNEECARKMNGK-SMDDNHRTSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@@H]2c2ccccc2)n[nH]1 ZINC000292514648 386683415 /nfs/dbraw/zinc/68/34/15/386683415.db2.gz NPYBTGXYXVWEBH-IINYFYTJSA-N 0 1 242.326 2.306 20 0 BEADMN COc1ncncc1CN(C)CCC(C)(C)C ZINC000648059719 386684396 /nfs/dbraw/zinc/68/43/96/386684396.db2.gz FFDOKMQGDWFLHT-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN CC(C)N(C)Cc1cnnn1Cc1ccccc1 ZINC000292528485 386685033 /nfs/dbraw/zinc/68/50/33/386685033.db2.gz KBGFEMSDHOWVTD-UHFFFAOYSA-N 0 1 244.342 2.167 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CC2CCOCC2)o1 ZINC000357005233 386685693 /nfs/dbraw/zinc/68/56/93/386685693.db2.gz LPQGCVVZGDCYPP-LLVKDONJSA-N 0 1 238.331 2.402 20 0 BEADMN Cc1cccc(C)c1NC(=O)N1CCN[C@H](C)C1 ZINC000335468966 386687036 /nfs/dbraw/zinc/68/70/36/386687036.db2.gz XAROPSQPXPLRID-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1cn[nH]c1CNc1ccccc1N(C)C ZINC000352841627 386695718 /nfs/dbraw/zinc/69/57/18/386695718.db2.gz UUGJFXYBVMRDLH-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)ncn1 ZINC000292610520 386696233 /nfs/dbraw/zinc/69/62/33/386696233.db2.gz XAJJXOPHIYYXQI-WDEREUQCSA-N 0 1 237.372 2.111 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H](C)C2CCC2)n1 ZINC000357038189 386696758 /nfs/dbraw/zinc/69/67/58/386696758.db2.gz MUOIXCPYWSXRNS-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H](C)C2CCC2)n1 ZINC000357038189 386696771 /nfs/dbraw/zinc/69/67/71/386696771.db2.gz MUOIXCPYWSXRNS-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CC(C)CCOCCN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357033108 386697353 /nfs/dbraw/zinc/69/73/53/386697353.db2.gz DVFSBWYGRICAQI-UONOGXRCSA-N 0 1 242.407 2.074 20 0 BEADMN C[C@H]1CN(c2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000645051152 386697294 /nfs/dbraw/zinc/69/72/94/386697294.db2.gz QXDICROVAOYNGC-JTQLQIEISA-N 0 1 244.294 2.166 20 0 BEADMN NC1(c2noc(C3CC4(CCC4)C3)n2)CCC1 ZINC000335477129 386701643 /nfs/dbraw/zinc/70/16/43/386701643.db2.gz GHZITUIXMGNKET-UHFFFAOYSA-N 0 1 233.315 2.455 20 0 BEADMN CO[C@H](C)c1noc(CN[C@H]2CCC[C@H]2C)n1 ZINC000330400435 386704110 /nfs/dbraw/zinc/70/41/10/386704110.db2.gz JRHKISJICHDPPJ-BBBLOLIVSA-N 0 1 239.319 2.055 20 0 BEADMN Cc1nc2c(n1CCOCC1CC1)CCCC2 ZINC000520611645 386706408 /nfs/dbraw/zinc/70/64/08/386706408.db2.gz QNNWLRQJURXMMX-UHFFFAOYSA-N 0 1 234.343 2.497 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000268854556 386706412 /nfs/dbraw/zinc/70/64/12/386706412.db2.gz CRIFGHXGJTWVGP-NEPJUHHUSA-N 0 1 247.342 2.156 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268861415 386707375 /nfs/dbraw/zinc/70/73/75/386707375.db2.gz JQOUDNUGGYGWMX-NEPJUHHUSA-N 0 1 247.342 2.156 20 0 BEADMN COCc1noc([C@H](C)N[C@H]2CCC[C@H]2C)n1 ZINC000330411332 386708110 /nfs/dbraw/zinc/70/81/10/386708110.db2.gz YZBFWXLWXZITIH-UTLUCORTSA-N 0 1 239.319 2.055 20 0 BEADMN COC[C@H](N[C@@H](C)[C@@H](C)OC)c1ccc(C)o1 ZINC000269003614 386733452 /nfs/dbraw/zinc/73/34/52/386733452.db2.gz VPAZKJYHKGVWHU-TUAOUCFPSA-N 0 1 241.331 2.289 20 0 BEADMN COC[C@H](N[C@H](C)[C@@H](C)OC)c1ccc(C)o1 ZINC000269003615 386733628 /nfs/dbraw/zinc/73/36/28/386733628.db2.gz VPAZKJYHKGVWHU-UTUOFQBUSA-N 0 1 241.331 2.289 20 0 BEADMN Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)o1 ZINC000268995839 386734497 /nfs/dbraw/zinc/73/44/97/386734497.db2.gz PTKXAUZAUXYUFC-SNVBAGLBSA-N 0 1 245.282 2.119 20 0 BEADMN CCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000268994822 386735868 /nfs/dbraw/zinc/73/58/68/386735868.db2.gz PPXIUCLENBIBDU-SNVBAGLBSA-N 0 1 233.315 2.094 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCC(C)=C(C)C2)[nH]1 ZINC000335536237 386738560 /nfs/dbraw/zinc/73/85/60/386738560.db2.gz QKWUWUYQOWFINN-SNVBAGLBSA-N 0 1 234.303 2.188 20 0 BEADMN Cc1noc(CN2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000334142169 386739347 /nfs/dbraw/zinc/73/93/47/386739347.db2.gz MZTGCCHBFFEKIQ-MFKMUULPSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1nc(CN(CCCO)CC(C)(C)C)co1 ZINC000647963005 386739753 /nfs/dbraw/zinc/73/97/53/386739753.db2.gz GHGQQSUADDSPPG-UHFFFAOYSA-N 0 1 240.347 2.214 20 0 BEADMN CC/C=C(\C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268917249 386719842 /nfs/dbraw/zinc/71/98/42/386719842.db2.gz BZPCOFSBBXTYDP-NKLKJHRZSA-N 0 1 233.315 2.260 20 0 BEADMN Cc1cccc2nc(CNCC3(F)CC3)[nH]c21 ZINC000526983530 386720246 /nfs/dbraw/zinc/72/02/46/386720246.db2.gz MWTAHILFRFZDLB-UHFFFAOYSA-N 0 1 233.290 2.463 20 0 BEADMN O=C(CCC1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268916123 386720628 /nfs/dbraw/zinc/72/06/28/386720628.db2.gz BUAXKKIKUBRHDI-LBPRGKRZSA-N 0 1 247.342 2.484 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CCC[C@H](C)C1 ZINC000526992596 386721208 /nfs/dbraw/zinc/72/12/08/386721208.db2.gz IRVYGOWXNOLLEP-TUAOUCFPSA-N 0 1 227.348 2.306 20 0 BEADMN COc1cccc(CNCC2(F)CC2)c1OC ZINC000526980980 386721576 /nfs/dbraw/zinc/72/15/76/386721576.db2.gz DZJRLPZXVBTAIU-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN CN(CCOC(C)(C)C)Cc1ccccn1 ZINC000268947471 386723317 /nfs/dbraw/zinc/72/33/17/386723317.db2.gz BYPLXQKYEBVOQN-UHFFFAOYSA-N 0 1 222.332 2.329 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000520672255 386723683 /nfs/dbraw/zinc/72/36/83/386723683.db2.gz MTQSTUPGJXBJRO-RTXFEEFZSA-N 0 1 239.359 2.472 20 0 BEADMN CCCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268962217 386728677 /nfs/dbraw/zinc/72/86/77/386728677.db2.gz JZZTYEFFBMQSSA-NSHDSACASA-N 0 1 235.331 2.484 20 0 BEADMN CSc1cc(CNCc2ccncc2)ccn1 ZINC000357363141 386769348 /nfs/dbraw/zinc/76/93/48/386769348.db2.gz IBPRPZKRTRAVAX-UHFFFAOYSA-N 0 1 245.351 2.488 20 0 BEADMN NCC(F)(F)CNCC1CCCCCC1 ZINC000414931400 386760482 /nfs/dbraw/zinc/76/04/82/386760482.db2.gz QIDWDYLNWPMGRI-UHFFFAOYSA-N 0 1 220.307 2.140 20 0 BEADMN CCC1(C)CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000292983982 386761602 /nfs/dbraw/zinc/76/16/02/386761602.db2.gz XSVRZZYNVZETNE-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN C[C@](CO)(NCc1cocn1)C1CCCCC1 ZINC000192317082 386762313 /nfs/dbraw/zinc/76/23/13/386762313.db2.gz MXEVBYGGVHTYOV-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN CCCC(O)(CCC)CNCc1cocn1 ZINC000192316476 386762924 /nfs/dbraw/zinc/76/29/24/386762924.db2.gz NTJVUIUKIVPFOU-UHFFFAOYSA-N 0 1 226.320 2.096 20 0 BEADMN CO[C@H](C)CNCc1ncc(C(C)C)s1 ZINC000191139563 386763070 /nfs/dbraw/zinc/76/30/70/386763070.db2.gz YWCJPDRSCGQWPW-SECBINFHSA-N 0 1 228.361 2.391 20 0 BEADMN c1nc(CN[C@@H]2CCOC3(CCCC3)C2)co1 ZINC000192327040 386764699 /nfs/dbraw/zinc/76/46/99/386764699.db2.gz HXRCMODJZLYOCM-LLVKDONJSA-N 0 1 236.315 2.256 20 0 BEADMN CCSCC[C@H](C)NCc1cocn1 ZINC000192320921 386765661 /nfs/dbraw/zinc/76/56/61/386765661.db2.gz XHVQQKBHFREPLV-VIFPVBQESA-N 0 1 214.334 2.296 20 0 BEADMN CC[C@H](NCc1nc(COC)no1)C(C)(C)C ZINC000348924038 386767692 /nfs/dbraw/zinc/76/76/92/386767692.db2.gz XLUAQSGIEOBYTM-VIFPVBQESA-N 0 1 241.335 2.130 20 0 BEADMN CCCc1csc(CNC[C@@H](C)OC)n1 ZINC000336760637 386742487 /nfs/dbraw/zinc/74/24/87/386742487.db2.gz LXVITNQXJGFGKD-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CC(C)c1cnc(CNC[C@@H](O)C2CC2)s1 ZINC000336723905 386789792 /nfs/dbraw/zinc/78/97/92/386789792.db2.gz BAMPISIWRKKKRG-SNVBAGLBSA-N 0 1 240.372 2.127 20 0 BEADMN C[C@@H](C(=O)NCc1ccccc1)N1C[C@@H](C)[C@H]1C ZINC000293245044 386793011 /nfs/dbraw/zinc/79/30/11/386793011.db2.gz BFLUZKWDVQOPAO-UPJWGTAASA-N 0 1 246.354 2.032 20 0 BEADMN CCC[C@H](C)N1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352869831 386795007 /nfs/dbraw/zinc/79/50/07/386795007.db2.gz PSUWWUSEAMELPG-OHTBPHCPSA-N 0 1 231.405 2.406 20 0 BEADMN CCOc1cccc(C[N@H+]2CCCN(C)CC2)c1 ZINC000269292864 386773397 /nfs/dbraw/zinc/77/33/97/386773397.db2.gz VMHOBZMTHLROJL-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN CCN(CCC(C)C)[C@@H](C)CS(=O)(=O)CC ZINC000113000427 386773612 /nfs/dbraw/zinc/77/36/12/386773612.db2.gz HLCPPCQXZCLJRH-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CCS(=O)(=O)C[C@H](C)N(C)CCC(C)(C)C ZINC000113001412 386775867 /nfs/dbraw/zinc/77/58/67/386775867.db2.gz CQVAVCBLPBFAMP-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN CCC[C@](C)(O)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269318170 386780247 /nfs/dbraw/zinc/78/02/47/386780247.db2.gz QQBORMYJDQLDMM-ZDUSSCGKSA-N 0 1 247.298 2.053 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cnn[n-]1 ZINC000398367676 386816600 /nfs/dbraw/zinc/81/66/00/386816600.db2.gz BVBKXFBKLQYUPJ-VXGBXAGGSA-N 0 1 222.336 2.109 20 0 BEADMN Cc1ccsc1CN(C)C(=O)c1cnc(C)[nH]1 ZINC000335905177 386797944 /nfs/dbraw/zinc/79/79/44/386797944.db2.gz UARGAMMTQZSONO-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1ccncc1Cl ZINC000336669126 386799828 /nfs/dbraw/zinc/79/98/28/386799828.db2.gz RFZUNQNFYYZZFA-SNVBAGLBSA-N 0 1 242.750 2.328 20 0 BEADMN CCOC[C@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000520750575 386803858 /nfs/dbraw/zinc/80/38/58/386803858.db2.gz ZMMPVKUEIUCBFQ-LLVKDONJSA-N 0 1 215.312 2.380 20 0 BEADMN CCn1nncc1CNCc1ccc(F)c(C)c1 ZINC000417860995 386805290 /nfs/dbraw/zinc/80/52/90/386805290.db2.gz WUEAMOATMQXBOR-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN C[C@H](NC[C@@H](O)C1CCCCC1)c1ncc[nH]1 ZINC000330597640 386806694 /nfs/dbraw/zinc/80/66/94/386806694.db2.gz AMKFTPMKXKZZEE-CMPLNLGQSA-N 0 1 237.347 2.002 20 0 BEADMN CCC[C@](C)(CO)NCc1nc(C)cs1 ZINC000165149579 386808197 /nfs/dbraw/zinc/80/81/97/386808197.db2.gz YBVJCOALSKCXKE-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN CCCCOCCN1CCOC[C@@]1(C)CC ZINC000340912205 386808731 /nfs/dbraw/zinc/80/87/31/386808731.db2.gz TTWOPDROKJUQIU-CYBMUJFWSA-N 0 1 229.364 2.304 20 0 BEADMN Cc1ccc(CCN2CCn3cncc3C2)cc1 ZINC000647939166 386809396 /nfs/dbraw/zinc/80/93/96/386809396.db2.gz DFKCWRQYMCXTLT-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN COC(=O)c1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000293488493 386825187 /nfs/dbraw/zinc/82/51/87/386825187.db2.gz SOPZVDAXMRXTKW-QWRGUYRKSA-N 0 1 233.311 2.313 20 0 BEADMN CN(C/C=C/Cl)C[C@@H](O)Cc1ccccc1 ZINC000293498011 386826202 /nfs/dbraw/zinc/82/62/02/386826202.db2.gz ZNRYYBIXYLBITN-LJLILKBBSA-N 0 1 239.746 2.274 20 0 BEADMN CC(C)(C(=O)NC[C@H]1CC=CCC1)c1cnc[nH]1 ZINC000330679184 386828560 /nfs/dbraw/zinc/82/85/60/386828560.db2.gz CXILBZRLCYCJKA-NSHDSACASA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H]1CN(CC23CCC(CC2)C3)CC[S@]1=O ZINC000334790142 386853128 /nfs/dbraw/zinc/85/31/28/386853128.db2.gz LOOBZACNALJFIJ-PIISCBOPSA-N 0 1 241.400 2.020 20 0 BEADMN COC(=O)c1ccccc1CN1C[C@@H](C)[C@@H]1C ZINC000293535577 386832777 /nfs/dbraw/zinc/83/27/77/386832777.db2.gz XKZMEUHOTGLNFH-MNOVXSKESA-N 0 1 233.311 2.313 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CCC(C)CC1 ZINC000357725256 386834707 /nfs/dbraw/zinc/83/47/07/386834707.db2.gz DVGPXMBOBKVGKV-CXQJBGSLSA-N 0 1 227.348 2.306 20 0 BEADMN COC[C@H]1CCN1Cc1cc(F)ccc1C ZINC000293553860 386836437 /nfs/dbraw/zinc/83/64/37/386836437.db2.gz LJZPUEHDGVJALV-CYBMUJFWSA-N 0 1 223.291 2.355 20 0 BEADMN COCc1cccc(C[N@@H+]2CC[C@@H]2COC)c1 ZINC000293556387 386837084 /nfs/dbraw/zinc/83/70/84/386837084.db2.gz LTYNYZYVHYIQPK-CQSZACIVSA-N 0 1 235.327 2.054 20 0 BEADMN CCc1ncc(CN[C@@H]2CC[C@H]2SC)o1 ZINC000425341614 386842249 /nfs/dbraw/zinc/84/22/49/386842249.db2.gz DRYGMJAZIYRCCR-NXEZZACHSA-N 0 1 226.345 2.221 20 0 BEADMN CC[C@@H]1[C@H](CO)CCN1Cc1csc(C)n1 ZINC000395084918 386848511 /nfs/dbraw/zinc/84/85/11/386848511.db2.gz CBYBADHUKPNNQZ-CMPLNLGQSA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@@H]1[C@@H](CO)CCN1Cc1csc(C)n1 ZINC000395084923 386850096 /nfs/dbraw/zinc/85/00/96/386850096.db2.gz CBYBADHUKPNNQZ-ZYHUDNBSSA-N 0 1 240.372 2.044 20 0 BEADMN CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCC1 ZINC000334788425 386850867 /nfs/dbraw/zinc/85/08/67/386850867.db2.gz FAPNQYBKPBGCBW-UHFFFAOYSA-N 0 1 247.342 2.306 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1ccc(Cl)cn1 ZINC000336745073 386891761 /nfs/dbraw/zinc/89/17/61/386891761.db2.gz AVKIYHYHPUFXBP-WCBMZHEXSA-N 0 1 226.707 2.175 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ncccn1 ZINC000191381481 386893114 /nfs/dbraw/zinc/89/31/14/386893114.db2.gz WLDNOHDEKSMUDC-NWDGAFQWSA-N 0 1 249.358 2.160 20 0 BEADMN Clc1cccnc1N1CC[C@@H](N2CC=CC2)C1 ZINC000301563704 386855166 /nfs/dbraw/zinc/85/51/66/386855166.db2.gz LIAQMTLMZOOSCD-LLVKDONJSA-N 0 1 249.745 2.186 20 0 BEADMN CC[C@]1(O)CCN(Cc2nc3ccccc3o2)C1 ZINC000334790950 386855515 /nfs/dbraw/zinc/85/55/15/386855515.db2.gz UZMBVQWPOKHODU-AWEZNQCLSA-N 0 1 246.310 2.175 20 0 BEADMN CC[C@@]1(O)CCN(Cc2nc3ccccc3o2)C1 ZINC000334790953 386855582 /nfs/dbraw/zinc/85/55/82/386855582.db2.gz UZMBVQWPOKHODU-CQSZACIVSA-N 0 1 246.310 2.175 20 0 BEADMN COC[C@H]1CCN1CC1=Cc2ccccc2OC1 ZINC000293687483 386861477 /nfs/dbraw/zinc/86/14/77/386861477.db2.gz QHZJLEXAIKQFEG-CQSZACIVSA-N 0 1 245.322 2.183 20 0 BEADMN C[C@H]1CCCN(Cc2cnns2)CC1 ZINC000334794477 386862188 /nfs/dbraw/zinc/86/21/88/386862188.db2.gz YZCMAGZDJAOWLN-VIFPVBQESA-N 0 1 211.334 2.160 20 0 BEADMN CCOc1ccccc1CN1CC[C@@H]1COC ZINC000293707967 386862725 /nfs/dbraw/zinc/86/27/25/386862725.db2.gz XPGNETDPGKDHSF-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN CN(CCF)Cc1ccc(-n2ccnc2)cc1 ZINC000293702280 386863083 /nfs/dbraw/zinc/86/30/83/386863083.db2.gz RSZJWSUKKQMNOU-UHFFFAOYSA-N 0 1 233.290 2.274 20 0 BEADMN CC(C)[C@@H]1N(Cc2cc[nH]n2)CC12CCOCC2 ZINC000334828195 386864403 /nfs/dbraw/zinc/86/44/03/386864403.db2.gz YFRYMCGURIEVNZ-ZDUSSCGKSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@H](c1nc(C2(N)CCC2)no1)C1CCC1 ZINC000334827819 386864512 /nfs/dbraw/zinc/86/45/12/386864512.db2.gz WSIKJLAUUVSTNQ-QMMMGPOBSA-N 0 1 221.304 2.311 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OCC(C)C)[C@H]1C ZINC001645351274 1172656930 /nfs/dbraw/zinc/65/69/30/1172656930.db2.gz GTWAJKPCRMTQQD-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(C)c(OC)c1 ZINC000293743499 386872584 /nfs/dbraw/zinc/87/25/84/386872584.db2.gz WCFYSYUKGFLYCW-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN CC(C)(C)n1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)nn1 ZINC000335750678 386876223 /nfs/dbraw/zinc/87/62/23/386876223.db2.gz UEUSHRYZZSFPDQ-AAEUAGOBSA-N 0 1 248.374 2.408 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@@H]3CCC[C@@H]32)nn1 ZINC000335750678 386876226 /nfs/dbraw/zinc/87/62/26/386876226.db2.gz UEUSHRYZZSFPDQ-AAEUAGOBSA-N 0 1 248.374 2.408 20 0 BEADMN CCO[C@H](C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000330744405 386878036 /nfs/dbraw/zinc/87/80/36/386878036.db2.gz UXXVFZNVHAMXRW-ZCFIWIBFSA-N 0 1 247.245 2.019 20 0 BEADMN Cc1ccc(C)c(CN(C)C(=O)c2cnc[nH]2)c1 ZINC000334839283 386882631 /nfs/dbraw/zinc/88/26/31/386882631.db2.gz DYQKJWSBOMTRSG-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1ccc(CNc2ccncc2C(N)=O)s1 ZINC000302210314 386914577 /nfs/dbraw/zinc/91/45/77/386914577.db2.gz GIXIYCZNKHGXIJ-UHFFFAOYSA-N 0 1 247.323 2.163 20 0 BEADMN Cc1ccoc1CN1CCCc2c(cnn2C)C1 ZINC000334861337 386915296 /nfs/dbraw/zinc/91/52/96/386915296.db2.gz AYSNFTTUEKCWSJ-UHFFFAOYSA-N 0 1 245.326 2.270 20 0 BEADMN CCC[C@H](C)CCCN1CC(=O)N(C)C[C@H]1C ZINC001645338571 1172657250 /nfs/dbraw/zinc/65/72/50/1172657250.db2.gz RNNGUSIMWKSAEI-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C(=O)NOCC1CC1)c1cccs1 ZINC000293886235 386895744 /nfs/dbraw/zinc/89/57/44/386895744.db2.gz YFUAFSJXUYVROB-QMMMGPOBSA-N 0 1 225.313 2.309 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H](C)C(C)C)c1C ZINC000330815118 386896452 /nfs/dbraw/zinc/89/64/52/386896452.db2.gz MAVODOPIMGJZEN-QMMMGPOBSA-N 0 1 223.320 2.048 20 0 BEADMN Cc1ccoc1CNC(=O)C(F)(F)C(F)F ZINC000293885827 386896619 /nfs/dbraw/zinc/89/66/19/386896619.db2.gz ZHWSSOOZYLFECG-UHFFFAOYSA-N 0 1 239.168 2.105 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H](C)C(C)C)c1C ZINC000330815114 386897170 /nfs/dbraw/zinc/89/71/70/386897170.db2.gz MAVODOPIMGJZEN-MRVPVSSYSA-N 0 1 223.320 2.048 20 0 BEADMN CC[C@H]1CCN1Cc1cnn(CC(F)F)c1 ZINC000293901455 386900421 /nfs/dbraw/zinc/90/04/21/386900421.db2.gz LEFMHCDHEHDRER-JTQLQIEISA-N 0 1 229.274 2.133 20 0 BEADMN C/C=C(/CC)c1nc(C2(N)CCC2)no1 ZINC000334851463 386900644 /nfs/dbraw/zinc/90/06/44/386900644.db2.gz CQYBPWOEPWGPTM-BAQGIRSFSA-N 0 1 207.277 2.221 20 0 BEADMN NC1(c2noc([C@H]3CCCCS3)n2)CCC1 ZINC000334853614 386904999 /nfs/dbraw/zinc/90/49/99/386904999.db2.gz LXKFDZNVGDMFPE-MRVPVSSYSA-N 0 1 239.344 2.366 20 0 BEADMN CCc1cc(C(=O)N(CC)CC2CCC2)n[nH]1 ZINC000358173901 386907361 /nfs/dbraw/zinc/90/73/61/386907361.db2.gz UQUABQLHOULXFH-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN FC[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000334859931 386912467 /nfs/dbraw/zinc/91/24/67/386912467.db2.gz PRWHORUUYFKCLQ-NWDGAFQWSA-N 0 1 213.296 2.013 20 0 BEADMN CNC(C)(C)c1nc(-c2ccccc2OC)no1 ZINC000061151375 1172658098 /nfs/dbraw/zinc/65/80/98/1172658098.db2.gz SKXVLPDRGYNUJE-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN COC(=O)c1ccc(CN2C[C@H]3CCCC[C@H]32)[nH]1 ZINC000367958065 386920857 /nfs/dbraw/zinc/92/08/57/386920857.db2.gz RKSOCUKVIRYCQX-ZWNOBZJWSA-N 0 1 248.326 2.176 20 0 BEADMN Cn1cnnc1[C@@H]1CCCN1CC1(C)CCC1 ZINC000335775411 386923514 /nfs/dbraw/zinc/92/35/14/386923514.db2.gz CRBFTVXWQNVUIV-NSHDSACASA-N 0 1 234.347 2.142 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000330940860 386925368 /nfs/dbraw/zinc/92/53/68/386925368.db2.gz CQEORQFWNAJBSE-NXEZZACHSA-N 0 1 237.347 2.238 20 0 BEADMN COc1ncncc1CN1C[C@H](C)CC[C@H]1C ZINC000648009466 386925952 /nfs/dbraw/zinc/92/59/52/386925952.db2.gz JHKYZOBAEBNMKE-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COC(=O)[C@@H]1CCCCCN1CCCSC ZINC000367985522 386926732 /nfs/dbraw/zinc/92/67/32/386926732.db2.gz VPRUOKOQDHTUFO-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CC1CCCC1 ZINC000334877763 386939173 /nfs/dbraw/zinc/93/91/73/386939173.db2.gz FICOZXYLUPADAS-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cnc([C@H](C)N2CCN(C(C)C)CC2)o1 ZINC000334878144 386940388 /nfs/dbraw/zinc/94/03/88/386940388.db2.gz XSNCVHNYZJJWBV-LBPRGKRZSA-N 0 1 237.347 2.070 20 0 BEADMN Clc1cncc(N2CCc3cnccc32)n1 ZINC000302868953 386940692 /nfs/dbraw/zinc/94/06/92/386940692.db2.gz XFDVAAQLSQMARK-UHFFFAOYSA-N 0 1 232.674 2.219 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000341697679 386952554 /nfs/dbraw/zinc/95/25/54/386952554.db2.gz OLDCRUBBDWOQQR-SDDRHHMPSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1cc(C(=O)N(CC2CC2)C2CCC2)n[nH]1 ZINC000358426302 386955190 /nfs/dbraw/zinc/95/51/90/386955190.db2.gz MIYKOAZLOZKXQH-UHFFFAOYSA-N 0 1 247.342 2.377 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762228 386957022 /nfs/dbraw/zinc/95/70/22/386957022.db2.gz VRKMWEAWAGNWFC-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN Fc1cccc(CCCN2CCO[C@@H]3C[C@@H]32)c1 ZINC000368321602 386960412 /nfs/dbraw/zinc/96/04/12/386960412.db2.gz MZOBLTVSTVGGNQ-UONOGXRCSA-N 0 1 235.302 2.231 20 0 BEADMN CC[C@@H](NC[C@H]1CCCCO1)c1nccn1C ZINC000341763735 386963018 /nfs/dbraw/zinc/96/30/18/386963018.db2.gz YFEOYCHTETTZCP-VXGBXAGGSA-N 0 1 237.347 2.030 20 0 BEADMN CC[C@H](CN1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000352956272 386973823 /nfs/dbraw/zinc/97/38/23/386973823.db2.gz KUGIYTVQGZRUIN-CHWSQXEVSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@H](CN1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000352956274 386974125 /nfs/dbraw/zinc/97/41/25/386974125.db2.gz KUGIYTVQGZRUIN-QWHCGFSZSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](CN1CCNC(=O)[C@H]1C)c1ccccc1 ZINC000352956273 386974747 /nfs/dbraw/zinc/97/47/47/386974747.db2.gz KUGIYTVQGZRUIN-OLZOCXBDSA-N 0 1 246.354 2.001 20 0 BEADMN Cn1cnc2c1CCN([C@@H]1CCC(C)(C)C1)C2 ZINC000368495262 386978916 /nfs/dbraw/zinc/97/89/16/386978916.db2.gz SVOHSLKJUZSFBE-LLVKDONJSA-N 0 1 233.359 2.357 20 0 BEADMN C(c1noc(C23CCCN2CCC3)n1)C1CC1 ZINC000334910324 386983717 /nfs/dbraw/zinc/98/37/17/386983717.db2.gz FWQRQRONVAYFCC-UHFFFAOYSA-N 0 1 233.315 2.107 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CCC(C)(C)C ZINC000341883123 386985711 /nfs/dbraw/zinc/98/57/11/386985711.db2.gz ACKAUMBTQUSOAO-UEKVPHQBSA-N 0 1 231.405 2.264 20 0 BEADMN FC(F)OC[C@@H]1CCN(Cc2ccccn2)C1 ZINC000353007134 386986600 /nfs/dbraw/zinc/98/66/00/386986600.db2.gz JFAXAQUQJPOLKK-SNVBAGLBSA-N 0 1 242.269 2.143 20 0 BEADMN Cc1cc([C@H](C)NCCc2nc(C)oc2C)no1 ZINC000519037173 386990436 /nfs/dbraw/zinc/99/04/36/386990436.db2.gz SLRUOEUKJFZBQI-VIFPVBQESA-N 0 1 249.314 2.481 20 0 BEADMN c1cc(CN2CCSC[C@H]2C2CCC2)n[nH]1 ZINC000334953329 387030540 /nfs/dbraw/zinc/03/05/40/387030540.db2.gz UJYYXCBRQCZDDI-LBPRGKRZSA-N 0 1 237.372 2.127 20 0 BEADMN COc1ncncc1CN1CCCC[C@H](C)C1 ZINC000648025158 387033007 /nfs/dbraw/zinc/03/30/07/387033007.db2.gz INCASCIKKVOUOY-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN CSCCc1nc(C2(N)CCCCC2)no1 ZINC000070004875 387041603 /nfs/dbraw/zinc/04/16/03/387041603.db2.gz LVASYILQGKHASS-UHFFFAOYSA-N 0 1 241.360 2.093 20 0 BEADMN Cc1cc(C)cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000070076524 387044226 /nfs/dbraw/zinc/04/42/26/387044226.db2.gz NASSCIIJZZBCQP-BETUJISGSA-N 0 1 246.354 2.126 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CC1CC1 ZINC000096867278 387055865 /nfs/dbraw/zinc/05/58/65/387055865.db2.gz DYUSIJWRDNYQSU-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)[C@H]1CN(Cc2cccc(N)c2)CCO1 ZINC000334971472 387056791 /nfs/dbraw/zinc/05/67/91/387056791.db2.gz YJQAHISJWBYKHS-CQSZACIVSA-N 0 1 234.343 2.126 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000514608018 387012476 /nfs/dbraw/zinc/01/24/76/387012476.db2.gz HDBAOTCAKUXYCY-LLVKDONJSA-N 0 1 223.316 2.116 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1C2CCC1CC2 ZINC000398898014 387015558 /nfs/dbraw/zinc/01/55/58/387015558.db2.gz OXSUKPDROQYDRS-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)nc1 ZINC000336224999 387065812 /nfs/dbraw/zinc/06/58/12/387065812.db2.gz VFVRGNYKWVWRPW-AWEZNQCLSA-N 0 1 248.370 2.373 20 0 BEADMN c1cnc(CN2CCSC[C@@H]2C2CCC2)cn1 ZINC000334941075 387016892 /nfs/dbraw/zinc/01/68/92/387016892.db2.gz OKTMMOVGWBYMJU-CYBMUJFWSA-N 0 1 249.383 2.194 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H](C2CC2)C1 ZINC000368886134 387016924 /nfs/dbraw/zinc/01/69/24/387016924.db2.gz ACVFAIIUIUYGAC-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1nnc(CN2CCCC[C@H]2C(C)C)n1C ZINC000117347437 387018186 /nfs/dbraw/zinc/01/81/86/387018186.db2.gz YUMISYQQBUMFOI-LBPRGKRZSA-N 0 1 236.363 2.134 20 0 BEADMN COc1ncncc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000648024058 387028301 /nfs/dbraw/zinc/02/83/01/387028301.db2.gz YYURRICZJSKVOO-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1ccnc(CN2CCC3(CCC3)C2)n1 ZINC000336230087 387069902 /nfs/dbraw/zinc/06/99/02/387069902.db2.gz QMXLOHMKQOSGHY-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN CC[C@@H](C(=O)N(C)c1ccc(F)cc1)N(C)C ZINC000359251652 387074749 /nfs/dbraw/zinc/07/47/49/387074749.db2.gz OFMDDHDHXLOANR-LBPRGKRZSA-N 0 1 238.306 2.129 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@H](C)O)cs1 ZINC000228143827 387078219 /nfs/dbraw/zinc/07/82/19/387078219.db2.gz SYLOAXMCBFCHTC-JOYOIKCWSA-N 0 1 240.372 2.187 20 0 BEADMN CCc1noc(C)c1CN[C@@H]1COC(C)(C)C1 ZINC000418066317 387081063 /nfs/dbraw/zinc/08/10/63/387081063.db2.gz NMRIGQXKUBKCRZ-JTQLQIEISA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cc(C)nn1C ZINC000418065599 387081149 /nfs/dbraw/zinc/08/11/49/387081149.db2.gz KATZSUABAQNZTN-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN CCC[C@H](C)CN(CC)Cc1cn(C)nn1 ZINC000359297138 387081848 /nfs/dbraw/zinc/08/18/48/387081848.db2.gz JJNPKHSFROKZHZ-NSHDSACASA-N 0 1 224.352 2.073 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2cnns2)C1 ZINC000336256061 387087645 /nfs/dbraw/zinc/08/76/45/387087645.db2.gz NDTTWFVEOWSXMT-SNVBAGLBSA-N 0 1 225.361 2.406 20 0 BEADMN CCn1nncc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000418081953 387092742 /nfs/dbraw/zinc/09/27/42/387092742.db2.gz OVKSSBQWCUVXFT-CYBMUJFWSA-N 0 1 248.374 2.309 20 0 BEADMN CCCCCN1CC[S@](=O)CC[C@@H]1C ZINC000370204088 387096457 /nfs/dbraw/zinc/09/64/57/387096457.db2.gz MRAGSKNGDWURHV-SMDDNHRTSA-N 0 1 217.378 2.020 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000418123320 387100356 /nfs/dbraw/zinc/10/03/56/387100356.db2.gz YLUSJRZLYLLXKH-KLPPZKSPSA-N 0 1 243.709 2.482 20 0 BEADMN O=C(/C=C/C1CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000370245589 387100792 /nfs/dbraw/zinc/10/07/92/387100792.db2.gz ZEXHVSHYJNSZJX-ONEGZZNKSA-N 0 1 245.326 2.082 20 0 BEADMN CCNC(=O)CN(CC)Cc1ccccc1CC ZINC000188795079 387102868 /nfs/dbraw/zinc/10/28/68/387102868.db2.gz YBNAPHZGJXBOPN-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000336272876 387105918 /nfs/dbraw/zinc/10/59/18/387105918.db2.gz HFIVDISDMNKRAZ-XHDPSFHLSA-N 0 1 247.338 2.092 20 0 BEADMN C[C@]1(F)CCCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000336275549 387107112 /nfs/dbraw/zinc/10/71/12/387107112.db2.gz SNCNGRKZJOQVJY-LBPRGKRZSA-N 0 1 238.310 2.006 20 0 BEADMN Cc1ccc([C@]2(C)CC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000336286587 387119698 /nfs/dbraw/zinc/11/96/98/387119698.db2.gz HMMOQWOBYLFLAX-CQSZACIVSA-N 0 1 233.311 2.043 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499475 387068430 /nfs/dbraw/zinc/06/84/30/387068430.db2.gz LUYFPUXOXIGFPD-AWEZNQCLSA-N 0 1 245.322 2.224 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@@H]1CC1(C)C ZINC000571691956 387144670 /nfs/dbraw/zinc/14/46/70/387144670.db2.gz VNCSWJQPQQQHLY-SNVBAGLBSA-N 0 1 223.272 2.208 20 0 BEADMN OCC1(NCc2sccc2Cl)CC1 ZINC000193179152 387146708 /nfs/dbraw/zinc/14/67/08/387146708.db2.gz JZOPILMZXWXAJW-UHFFFAOYSA-N 0 1 217.721 2.016 20 0 BEADMN Cc1ccc(C(C)(C)NCc2ccnn2C)cn1 ZINC000353162292 387148226 /nfs/dbraw/zinc/14/82/26/387148226.db2.gz GHJVSHXCIVRIOD-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)CCCSC ZINC000352401581 387148605 /nfs/dbraw/zinc/14/86/05/387148605.db2.gz INTIXPJAHVPYEX-NSHDSACASA-N 0 1 247.404 2.259 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cn1 ZINC000418125394 387150459 /nfs/dbraw/zinc/15/04/59/387150459.db2.gz JFJJQJBWGSQVKS-WCQGTBRESA-N 0 1 219.332 2.261 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336325304 387151750 /nfs/dbraw/zinc/15/17/50/387151750.db2.gz QSHARSLQHHFAFI-HIFRSBDPSA-N 0 1 246.354 2.391 20 0 BEADMN CC(C)[C@H](C)NCc1nn(C)cc1Cl ZINC000393295714 387153735 /nfs/dbraw/zinc/15/37/35/387153735.db2.gz PACQAFHXDNQRLE-QMMMGPOBSA-N 0 1 215.728 2.208 20 0 BEADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(N)=O)C2 ZINC000336328164 387156518 /nfs/dbraw/zinc/15/65/18/387156518.db2.gz GOKOIQQENHWWLR-SSDOTTSWSA-N 0 1 207.277 2.173 20 0 BEADMN CC1(C)CC[C@H](CN2CCOC3(CCC3)C2)O1 ZINC000187381522 387192919 /nfs/dbraw/zinc/19/29/19/387192919.db2.gz HSPCUQOIIZDYGZ-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCCC2(CC2)C1 ZINC000186984787 387160213 /nfs/dbraw/zinc/16/02/13/387160213.db2.gz VYXTWQVLXZZZEM-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cc(C)on1)C(C)C ZINC000284242717 387163883 /nfs/dbraw/zinc/16/38/83/387163883.db2.gz VFOISMHHUZVNHW-JQWIXIFHSA-N 0 1 226.320 2.305 20 0 BEADMN O=C(NCC1CCC(F)(F)CC1)C(F)(F)F ZINC000575475661 387165041 /nfs/dbraw/zinc/16/50/41/387165041.db2.gz MWKMLFFRUWXBGE-UHFFFAOYSA-N 0 1 245.191 2.490 20 0 BEADMN CC[C@H]1CCCC[C@@H]1N(C)Cc1ncnn1C ZINC000120750589 387193250 /nfs/dbraw/zinc/19/32/50/387193250.db2.gz XCFCNFINIRSBDM-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ncnn1C ZINC000120750437 387193354 /nfs/dbraw/zinc/19/33/54/387193354.db2.gz XCFCNFINIRSBDM-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cnc([C@H](C)NC[C@@H](O)C(C)C)s1 ZINC000292806774 387169971 /nfs/dbraw/zinc/16/99/71/387169971.db2.gz BWYHZWMBMFGBIF-VHSXEESVSA-N 0 1 228.361 2.119 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CCCSC2)n1 ZINC000161270387 387172273 /nfs/dbraw/zinc/17/22/73/387172273.db2.gz VALCZECFHGPPIX-LBPRGKRZSA-N 0 1 239.388 2.449 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@H](C2CC2)C1 ZINC000336342403 387172737 /nfs/dbraw/zinc/17/27/37/387172737.db2.gz TWMRSTGKYYRORR-NSHDSACASA-N 0 1 245.326 2.159 20 0 BEADMN CC[C@H](CSC)N(C)Cc1snnc1C ZINC000571807585 387173011 /nfs/dbraw/zinc/17/30/11/387173011.db2.gz YNYNSOBSTUGXPW-SECBINFHSA-N 0 1 245.417 2.420 20 0 BEADMN CCC1(C)CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000336346279 387177262 /nfs/dbraw/zinc/17/72/62/387177262.db2.gz CSEJZQMURNUPLN-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN Cc1noc(CN2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000336348968 387178546 /nfs/dbraw/zinc/17/85/46/387178546.db2.gz QDFLJRYUYCFZDZ-QWRGUYRKSA-N 0 1 221.304 2.000 20 0 BEADMN CC(C)C[C@H](C)Sc1nc(N)cc(N)n1 ZINC000284310895 387179874 /nfs/dbraw/zinc/17/98/74/387179874.db2.gz YOOIUBFSCGHLLD-ZETCQYMHSA-N 0 1 226.349 2.168 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@@H]1NCC(F)(F)CN ZINC000423333902 387180514 /nfs/dbraw/zinc/18/05/14/387180514.db2.gz FGJNKVALMHBOOV-MXWKQRLJSA-N 0 1 234.334 2.385 20 0 BEADMN CCc1nnc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000193227799 387182309 /nfs/dbraw/zinc/18/23/09/387182309.db2.gz KRACZDNLXZUUEP-ZJUUUORDSA-N 0 1 223.320 2.300 20 0 BEADMN COCC[N@@H+](CC[C@@H](C)F)Cc1cncs1 ZINC000352421334 387185126 /nfs/dbraw/zinc/18/51/26/387185126.db2.gz KPCVHIGTWMQFJN-SNVBAGLBSA-N 0 1 246.351 2.340 20 0 BEADMN COCCN(CC[C@@H](C)F)Cc1cncs1 ZINC000352421334 387185129 /nfs/dbraw/zinc/18/51/29/387185129.db2.gz KPCVHIGTWMQFJN-SNVBAGLBSA-N 0 1 246.351 2.340 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000336355728 387185368 /nfs/dbraw/zinc/18/53/68/387185368.db2.gz JYZYXUIYYCIPMB-RYUDHWBXSA-N 0 1 236.363 2.337 20 0 BEADMN Cc1cc(CC(=O)N[C@H](C)C2CCCCC2)[nH]n1 ZINC000120397665 387186916 /nfs/dbraw/zinc/18/69/16/387186916.db2.gz FPINRWXCMOAMMO-LLVKDONJSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@H](C)N(CCCCF)CC(=O)OC ZINC000352422744 387187380 /nfs/dbraw/zinc/18/73/80/387187380.db2.gz UTCBOVSEGYIOBL-SNVBAGLBSA-N 0 1 219.300 2.010 20 0 BEADMN CC[C@@H](C)N(CC[C@H](C)F)CC(=O)OC ZINC000352422755 387187509 /nfs/dbraw/zinc/18/75/09/387187509.db2.gz UWEWNRDJVULGTH-VHSXEESVSA-N 0 1 219.300 2.008 20 0 BEADMN COC(=O)c1occc1CN1CC[C@H](C2CC2)C1 ZINC000371308793 387189176 /nfs/dbraw/zinc/18/91/76/387189176.db2.gz RZUOLTUCZMSNNE-NSHDSACASA-N 0 1 249.310 2.298 20 0 BEADMN CCC1(C(=O)NCCN2CCC2)CCCCC1 ZINC000359598176 387132880 /nfs/dbraw/zinc/13/28/80/387132880.db2.gz UWJDLZZYJQIGPN-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2c(O)cccc2F)C1 ZINC000228854057 387134172 /nfs/dbraw/zinc/13/41/72/387134172.db2.gz UYHOMTQDDHZENA-RKDXNWHRSA-N 0 1 237.274 2.402 20 0 BEADMN Cc1nc(-c2nc(C3(N)CCCC3)no2)c(C)o1 ZINC000571881645 387192013 /nfs/dbraw/zinc/19/20/13/387192013.db2.gz WIDWBFZJCRIXAM-UHFFFAOYSA-N 0 1 248.286 2.069 20 0 BEADMN CCN(CCC1CCCC1)Cc1cn(C)nn1 ZINC000359635769 387138158 /nfs/dbraw/zinc/13/81/58/387138158.db2.gz MXSDIXDAMCAQLT-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN Cc1ccc(CCCN2CCOC(C)(C)C2)cn1 ZINC000353443733 387202534 /nfs/dbraw/zinc/20/25/34/387202534.db2.gz ACXFZLDJQGPQOU-UHFFFAOYSA-N 0 1 248.370 2.433 20 0 BEADMN CN(Cc1cccc(F)c1F)CC1(O)CCC1 ZINC000353466485 387206487 /nfs/dbraw/zinc/20/64/87/387206487.db2.gz HEOHSWHZLANFIJ-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN CC(=O)c1cc(CN2C[C@@H]3CCC[C@H]3C2)on1 ZINC000571962530 387209091 /nfs/dbraw/zinc/20/90/91/387209091.db2.gz WMGXGRFNGOSEKP-QWRGUYRKSA-N 0 1 234.299 2.109 20 0 BEADMN CN(Cc1nnc2n1CCCC2)C1CCCCC1 ZINC000336382392 387214357 /nfs/dbraw/zinc/21/43/57/387214357.db2.gz SJGFFNCDBOZUJT-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN CC(C)(C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000336393712 387222479 /nfs/dbraw/zinc/22/24/79/387222479.db2.gz LAVQOXBDNBJECU-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN C[C@H](N[C@H]1CCC12CCCC2)c1ncnn1C ZINC000336413477 387242084 /nfs/dbraw/zinc/24/20/84/387242084.db2.gz PDRMECONVRUDSL-QWRGUYRKSA-N 0 1 234.347 2.189 20 0 BEADMN C[C@@H](N[C@@H]1CCC12CCCC2)c1ncnn1C ZINC000336413475 387242260 /nfs/dbraw/zinc/24/22/60/387242260.db2.gz PDRMECONVRUDSL-GHMZBOCLSA-N 0 1 234.347 2.189 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000572132258 387246956 /nfs/dbraw/zinc/24/69/56/387246956.db2.gz SAOHHNCNYNYNEJ-LLVKDONJSA-N 0 1 234.299 2.081 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCC[C@H](C)C1 ZINC000187976016 387249516 /nfs/dbraw/zinc/24/95/16/387249516.db2.gz UUZDPPCBFFNXAJ-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccncc1CN(C)CCOC(C)C ZINC000353657050 387251085 /nfs/dbraw/zinc/25/10/85/387251085.db2.gz GEDLQSHMYAXBOD-UHFFFAOYSA-N 0 1 222.332 2.247 20 0 BEADMN Cc1ccc(CN2CCOCC3(CC3)C2)cn1 ZINC000336364379 387195973 /nfs/dbraw/zinc/19/59/73/387195973.db2.gz XQHMDAZPSBEGPV-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CC(C)(C)CCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371365186 387198588 /nfs/dbraw/zinc/19/85/88/387198588.db2.gz RSXBCWBJLQACFK-JTQLQIEISA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@@H](NCC(F)(F)CN)C1CCCC1 ZINC000423348377 387201568 /nfs/dbraw/zinc/20/15/68/387201568.db2.gz SSRIKXCBVFSKSM-SNVBAGLBSA-N 0 1 220.307 2.139 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000162057835 387309710 /nfs/dbraw/zinc/30/97/10/387309710.db2.gz WSYHFXFASZCLJK-LLVKDONJSA-N 0 1 225.288 2.355 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000162096831 387316079 /nfs/dbraw/zinc/31/60/79/387316079.db2.gz RXGWHQLORSVUOE-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCC1 ZINC000161706084 387254517 /nfs/dbraw/zinc/25/45/17/387254517.db2.gz ORIKEAORTDCQRY-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN CCCCN(C)CC(=O)Nc1ccccc1F ZINC000098068830 387265090 /nfs/dbraw/zinc/26/50/90/387265090.db2.gz IWBUWOZRKOSOPP-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN COC(=O)c1ccc(CN2CCC=C(C)C2)nc1 ZINC000285460213 387267778 /nfs/dbraw/zinc/26/77/78/387267778.db2.gz YSAYYRMIGHQWSH-UHFFFAOYSA-N 0 1 246.310 2.020 20 0 BEADMN CO[C@H](C)CN(C)Cc1cccc(Cl)n1 ZINC000285755675 387282857 /nfs/dbraw/zinc/28/28/57/387282857.db2.gz RDCNFRHENOSJHY-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN C[C@H]1OCCN(CCCc2ccncc2)[C@H]1C ZINC000360435356 387283676 /nfs/dbraw/zinc/28/36/76/387283676.db2.gz DIWXFGMREWIPLC-QWHCGFSZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1OCCN(CCCc2ccncc2)[C@H]1C ZINC000360435357 387284150 /nfs/dbraw/zinc/28/41/50/387284150.db2.gz DIWXFGMREWIPLC-STQMWFEESA-N 0 1 234.343 2.123 20 0 BEADMN Cc1ccc(CNCc2cccn2C)nc1C ZINC000314842153 387286252 /nfs/dbraw/zinc/28/62/52/387286252.db2.gz UIGKCIMVVDQVIQ-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1nccn1C(F)F ZINC000285864352 387288851 /nfs/dbraw/zinc/28/88/51/387288851.db2.gz IRMUKJYONYTRJH-YUMQZZPRSA-N 0 1 247.314 2.119 20 0 BEADMN CCCn1cc(CN2CC=C(C)CC2)cn1 ZINC000353878524 387289975 /nfs/dbraw/zinc/28/99/75/387289975.db2.gz DXNBIBLZEMESCV-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN C[C@@H]1C[C@@H](C)C[NH+](Cc2ncccc2[O-])C1 ZINC000514819116 387290391 /nfs/dbraw/zinc/29/03/91/387290391.db2.gz VIALWWCKGXNIPQ-GHMZBOCLSA-N 0 1 220.316 2.265 20 0 BEADMN CC(C)[C@H]1CN(CCCc2ccncc2)CCO1 ZINC000360466521 387290866 /nfs/dbraw/zinc/29/08/66/387290866.db2.gz HONBAMISOOJHOM-OAHLLOKOSA-N 0 1 248.370 2.371 20 0 BEADMN C[C@@H]1[C@H](C)N(CCCc2ccncc2)CC[N@H+]1C ZINC000360476731 387295116 /nfs/dbraw/zinc/29/51/16/387295116.db2.gz WPJREALYFLYLDQ-KGLIPLIRSA-N 0 1 247.386 2.039 20 0 BEADMN Cc1ccc(CNCc2ccn(C)c2)nc1C ZINC000314870361 387295135 /nfs/dbraw/zinc/29/51/35/387295135.db2.gz XVXHFPQRHIXEPW-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1nccn1C ZINC000353946396 387302582 /nfs/dbraw/zinc/30/25/82/387302582.db2.gz GFXDRDCRLKJKIR-MRVPVSSYSA-N 0 1 247.264 2.413 20 0 BEADMN Cn1nccc1CN1CC[C@@H]1Cc1ccccc1 ZINC000353981689 387304788 /nfs/dbraw/zinc/30/47/88/387304788.db2.gz WNHQCMNEVROAAF-CQSZACIVSA-N 0 1 241.338 2.237 20 0 BEADMN CCCCCN1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360541193 387305995 /nfs/dbraw/zinc/30/59/95/387305995.db2.gz STSMJHNWGPDNBM-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCN(CCC1CC1)Cc1cc(C(C)=O)no1 ZINC000514871656 387306232 /nfs/dbraw/zinc/30/62/32/387306232.db2.gz YKCUIZDFJHHBNP-UHFFFAOYSA-N 0 1 236.315 2.499 20 0 BEADMN Clc1cnccc1CSc1cn[nH]n1 ZINC000336479730 387306998 /nfs/dbraw/zinc/30/69/98/387306998.db2.gz UBMGNFFJLMSENW-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CO[C@H]1C[C@H](N(C)Cc2ccno2)C12CCC2 ZINC000515293347 387356080 /nfs/dbraw/zinc/35/60/80/387356080.db2.gz QCNNBIROUNDZAT-RYUDHWBXSA-N 0 1 236.315 2.064 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])C1CC1 ZINC000515312301 387358587 /nfs/dbraw/zinc/35/85/87/387358587.db2.gz IZAYWFBHOIWFHR-IMHYDFPKSA-N 0 1 223.316 2.113 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000515305612 387362084 /nfs/dbraw/zinc/36/20/84/387362084.db2.gz BYMCEZRBEZHKPK-WZRBSPASSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nnc(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1C1CC1 ZINC000336547940 387369767 /nfs/dbraw/zinc/36/97/67/387369767.db2.gz BRTJUXAUWVCZGZ-YPMHNXCESA-N 0 1 246.358 2.296 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCC[C@@H]32)n1C1CC1 ZINC000336547940 387369772 /nfs/dbraw/zinc/36/97/72/387369772.db2.gz BRTJUXAUWVCZGZ-YPMHNXCESA-N 0 1 246.358 2.296 20 0 BEADMN C[N@H+](Cc1ccco1)Cc1ccoc1C(=O)[O-] ZINC000035716216 387371220 /nfs/dbraw/zinc/37/12/20/387371220.db2.gz JTEHHTZAKIQROJ-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@@H+](Cc1ccco1)Cc1ccoc1C(=O)[O-] ZINC000035716216 387371225 /nfs/dbraw/zinc/37/12/25/387371225.db2.gz JTEHHTZAKIQROJ-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN CC(C)n1nccc1C[N@H+]1CCC12CCOCC2 ZINC000373490491 387375991 /nfs/dbraw/zinc/37/59/91/387375991.db2.gz QKVBFKLWSLZEQR-UHFFFAOYSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)n1nccc1CN1CCC12CCOCC2 ZINC000373490491 387375995 /nfs/dbraw/zinc/37/59/95/387375995.db2.gz QKVBFKLWSLZEQR-UHFFFAOYSA-N 0 1 249.358 2.219 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC[C@H]2C)nc1 ZINC000336555258 387376976 /nfs/dbraw/zinc/37/69/76/387376976.db2.gz RDONSFVYVVINRW-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2CCCC2(C)C)n1 ZINC000336556110 387380557 /nfs/dbraw/zinc/38/05/57/387380557.db2.gz FXCLBONZRWNFMC-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423582610 387382056 /nfs/dbraw/zinc/38/20/56/387382056.db2.gz ARMQCFQTNKPXKU-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN CCS[C@@H]1CCC[C@@H]1NCc1ccon1 ZINC000286271054 387321589 /nfs/dbraw/zinc/32/15/89/387321589.db2.gz UCAGPTGLFUIPFN-WDEREUQCSA-N 0 1 226.345 2.438 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H]1c1cccnc1 ZINC000336557982 387382495 /nfs/dbraw/zinc/38/24/95/387382495.db2.gz UBEPSQGQFGVSLV-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@H](NCCCc1ccncc1)c1ccon1 ZINC000360637269 387326581 /nfs/dbraw/zinc/32/65/81/387326581.db2.gz WPVDPFIHKVIVKN-NSHDSACASA-N 0 1 231.299 2.353 20 0 BEADMN c1nc(N[C@H]2CCSC2)cc2c1CCC2 ZINC000336512363 387335432 /nfs/dbraw/zinc/33/54/32/387335432.db2.gz NZKVZICUCUYKLD-NSHDSACASA-N 0 1 220.341 2.488 20 0 BEADMN CCc1cccc(F)c1CNCC[N@H+](C)CC ZINC000354194038 387343840 /nfs/dbraw/zinc/34/38/40/387343840.db2.gz WUVZLHAPODHQIW-UHFFFAOYSA-N 0 1 238.350 2.429 20 0 BEADMN CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000515176786 387344091 /nfs/dbraw/zinc/34/40/91/387344091.db2.gz ALXXRNDAXSQIHC-SCVCMEIPSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@]1(COC)CCC[N@H+]1CCCC(=O)[O-] ZINC000515203553 387345918 /nfs/dbraw/zinc/34/59/18/387345918.db2.gz LBUXCGCMXRFOCV-CYBMUJFWSA-N 0 1 243.347 2.132 20 0 BEADMN CCN(Cc1ccc2c(n1)CCC2)[C@H]1CCOC1 ZINC000515214083 387349355 /nfs/dbraw/zinc/34/93/55/387349355.db2.gz AQVYIPJPEASVRO-AWEZNQCLSA-N 0 1 246.354 2.181 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CCC1 ZINC000336529060 387352565 /nfs/dbraw/zinc/35/25/65/387352565.db2.gz FMBBWHLLGJYDRE-UHFFFAOYSA-N 0 1 221.304 2.124 20 0 BEADMN Cc1nc([C@H](C)SCCC(C)(C)O)n[nH]1 ZINC000572422869 387423525 /nfs/dbraw/zinc/42/35/25/387423525.db2.gz LCGTXQNXDBUZLE-ZETCQYMHSA-N 0 1 229.349 2.068 20 0 BEADMN CC(C)(C)CCCN1CCOC[C@]12CCOC2 ZINC000374137090 387423521 /nfs/dbraw/zinc/42/35/21/387423521.db2.gz RHRJJBOFTOCKGU-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CCc1ncc(CN(CC)[C@H]2CCOC2)s1 ZINC000361252924 387424809 /nfs/dbraw/zinc/42/48/09/387424809.db2.gz STJXBQPQLLCBNT-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCO[C@@H](C)C2)no1 ZINC000352691584 387438187 /nfs/dbraw/zinc/43/81/87/387438187.db2.gz BADBEOVDFCCHNQ-JQWIXIFHSA-N 0 1 238.331 2.230 20 0 BEADMN CCCC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000374301566 387439353 /nfs/dbraw/zinc/43/93/53/387439353.db2.gz JZKINLRILIQUEB-KBPBESRZSA-N 0 1 246.354 2.001 20 0 BEADMN CCCC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000374301569 387440714 /nfs/dbraw/zinc/44/07/14/387440714.db2.gz JZKINLRILIQUEB-KGLIPLIRSA-N 0 1 246.354 2.001 20 0 BEADMN CCN(CC(N)=O)Cc1ccc2ccccc2c1 ZINC000193526278 387450505 /nfs/dbraw/zinc/45/05/05/387450505.db2.gz LEFGBNXQBZIPLL-UHFFFAOYSA-N 0 1 242.322 2.147 20 0 BEADMN CCc1cccc(F)c1CNC[C@@H](O)C(F)F ZINC000354508379 387385850 /nfs/dbraw/zinc/38/58/50/387385850.db2.gz SLXNGCGVVYUELO-LLVKDONJSA-N 0 1 247.260 2.104 20 0 BEADMN CCN(CC1CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000082784324 387388027 /nfs/dbraw/zinc/38/80/27/387388027.db2.gz ZYLVMVZKBROXNY-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H](Cn1cccn1)Nc1cc2c(cn1)CCC2 ZINC000354540891 387392076 /nfs/dbraw/zinc/39/20/76/387392076.db2.gz NWIJBMATULCIIA-LLVKDONJSA-N 0 1 242.326 2.267 20 0 BEADMN c1c(CN2C3CCC2CC3)nc2ccccn12 ZINC000515542207 387394331 /nfs/dbraw/zinc/39/43/31/387394331.db2.gz IWAWLQPLBNCILH-UHFFFAOYSA-N 0 1 227.311 2.461 20 0 BEADMN COC(=O)CCN1Cc2ccccc2[C@@H]1C ZINC000361071465 387397118 /nfs/dbraw/zinc/39/71/18/387397118.db2.gz AKWISIQQMZWBML-JTQLQIEISA-N 0 1 219.284 2.126 20 0 BEADMN Cc1nnc(C[N@@H+]2CCCC[C@H]2C(C)C)[nH]1 ZINC000336577976 387401725 /nfs/dbraw/zinc/40/17/25/387401725.db2.gz BNHBBRWYPXIAHF-NSHDSACASA-N 0 1 222.336 2.124 20 0 BEADMN Cc1nnc(CN2CCCC[C@H]2C(C)C)[nH]1 ZINC000336577976 387401727 /nfs/dbraw/zinc/40/17/27/387401727.db2.gz BNHBBRWYPXIAHF-NSHDSACASA-N 0 1 222.336 2.124 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)o1 ZINC000361151124 387405501 /nfs/dbraw/zinc/40/55/01/387405501.db2.gz CYIMZYCGAHXRTJ-VXGBXAGGSA-N 0 1 236.359 2.366 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CCC[C@@H](O)C1 ZINC000336582275 387407814 /nfs/dbraw/zinc/40/78/14/387407814.db2.gz SHFDDZIAJINYKC-LLVKDONJSA-N 0 1 238.331 2.063 20 0 BEADMN COC[C@H](N[C@@H](C)c1nccs1)C(C)C ZINC000083398047 387408637 /nfs/dbraw/zinc/40/86/37/387408637.db2.gz XZXZQHCUEMODMC-UWVGGRQHSA-N 0 1 228.361 2.465 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1ccc2cncn2c1 ZINC000336587763 387413154 /nfs/dbraw/zinc/41/31/54/387413154.db2.gz YTPGFIHJMOSBDO-CYBMUJFWSA-N 0 1 243.310 2.205 20 0 BEADMN Cc1cc(CN(CCCO)CC(C)(C)C)no1 ZINC000303991053 387421926 /nfs/dbraw/zinc/42/19/26/387421926.db2.gz LRLVIMRARHLMKY-UHFFFAOYSA-N 0 1 240.347 2.214 20 0 BEADMN c1snnc1CN[C@H](C1CC1)C1CCC1 ZINC000324665303 387498900 /nfs/dbraw/zinc/49/89/00/387498900.db2.gz MGYYNOWWJBJYCB-NSHDSACASA-N 0 1 223.345 2.206 20 0 BEADMN CCN(CCO)[C@@H](C)c1cc(F)ccc1F ZINC000304683315 387504240 /nfs/dbraw/zinc/50/42/40/387504240.db2.gz FOHYDIAQEKGQMO-VIFPVBQESA-N 0 1 229.270 2.340 20 0 BEADMN CSCCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000375006378 387505624 /nfs/dbraw/zinc/50/56/24/387505624.db2.gz WIUULASZUFCFAD-SNVBAGLBSA-N 0 1 225.361 2.300 20 0 BEADMN CC[C@H](NC(=O)c1ccnc(CN)c1)C(C)(C)C ZINC000361609242 387511920 /nfs/dbraw/zinc/51/19/20/387511920.db2.gz IEFFBULUQMULEO-LBPRGKRZSA-N 0 1 249.358 2.095 20 0 BEADMN CC(C)CCCN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361651383 387518875 /nfs/dbraw/zinc/51/88/75/387518875.db2.gz CSVFKWGYGYQWKI-RYUDHWBXSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cc(C)c(CN[C@H](C)c2cnn(C)c2)cn1 ZINC000397060078 387535306 /nfs/dbraw/zinc/53/53/06/387535306.db2.gz WLVKSECCMFXEPD-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCC1 ZINC000336624400 387478148 /nfs/dbraw/zinc/47/81/48/387478148.db2.gz KSBUHFAUYMTJLC-LLVKDONJSA-N 0 1 247.342 2.231 20 0 BEADMN Cc1cnc(CN2CCSCC[C@@H]2C)cn1 ZINC000336629963 387481847 /nfs/dbraw/zinc/48/18/47/387481847.db2.gz NGCDXFNYJZYWFE-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000355156096 387488957 /nfs/dbraw/zinc/48/89/57/387488957.db2.gz ABNFHDROKHLMTF-ZYHUDNBSSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000355156096 387488965 /nfs/dbraw/zinc/48/89/65/387488965.db2.gz ABNFHDROKHLMTF-ZYHUDNBSSA-N 0 1 247.342 2.119 20 0 BEADMN Cc1c[nH]nc1CNCc1ccc2c(c1)COC2 ZINC000352802464 387492393 /nfs/dbraw/zinc/49/23/93/387492393.db2.gz TUGRJAVGABDLFN-UHFFFAOYSA-N 0 1 243.310 2.038 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)[C@H](C)CC(=O)[O-] ZINC000516315026 387493578 /nfs/dbraw/zinc/49/35/78/387493578.db2.gz GRZOLXPXBUTFLD-SNVBAGLBSA-N 0 1 239.290 2.429 20 0 BEADMN Cc1nc(CNC2(c3ccc(F)cc3)CC2)n[nH]1 ZINC000428390835 387581515 /nfs/dbraw/zinc/58/15/15/387581515.db2.gz VFVMSMSUOQOFDM-UHFFFAOYSA-N 0 1 246.289 2.031 20 0 BEADMN CCCC(C)(C)CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000426688791 387585544 /nfs/dbraw/zinc/58/55/44/387585544.db2.gz SETTZSJXOUHLAL-VIFPVBQESA-N 0 1 238.335 2.198 20 0 BEADMN CN(Cc1ccc2c(c1)OCO2)CC1(F)CC1 ZINC000527509154 387586535 /nfs/dbraw/zinc/58/65/35/387586535.db2.gz PBDVQRWERNYLOJ-UHFFFAOYSA-N 0 1 237.274 2.349 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)CC2CC2)CC1 ZINC000375913242 387593304 /nfs/dbraw/zinc/59/33/04/387593304.db2.gz ULRQUDIVDWIART-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@]2(C)CC2(F)F)n1 ZINC000422551127 387599468 /nfs/dbraw/zinc/59/94/68/387599468.db2.gz MSWGAVWTXHDZPQ-OIBJUYFYSA-N 0 1 245.273 2.412 20 0 BEADMN Cc1cc(CN2CC[C@H](OC(F)F)C2)ccn1 ZINC000527539291 387609689 /nfs/dbraw/zinc/60/96/89/387609689.db2.gz MMFULEYQVLTZDP-NSHDSACASA-N 0 1 242.269 2.204 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356071079 387612424 /nfs/dbraw/zinc/61/24/24/387612424.db2.gz ZFUDTGKAFQCFPL-PWSUYJOCSA-N 0 1 225.332 2.084 20 0 BEADMN COC(=O)CN(C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356071077 387613690 /nfs/dbraw/zinc/61/36/90/387613690.db2.gz ZFUDTGKAFQCFPL-CMPLNLGQSA-N 0 1 225.332 2.084 20 0 BEADMN C[C@H](C1CCC1)N(C)Cc1ncccn1 ZINC000361865253 387547363 /nfs/dbraw/zinc/54/73/63/387547363.db2.gz MCZRLOXTSJJNDB-SNVBAGLBSA-N 0 1 205.305 2.097 20 0 BEADMN CCCn1cc(CN2[C@H](C)C[C@H]2C)cn1 ZINC000527238732 387547826 /nfs/dbraw/zinc/54/78/26/387547826.db2.gz QXBNZTMUMKVETP-GHMZBOCLSA-N 0 1 207.321 2.276 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000397189902 387549721 /nfs/dbraw/zinc/54/97/21/387549721.db2.gz OKJWKPLLYJDPMB-QPUJVOFHSA-N 0 1 231.303 2.199 20 0 BEADMN CC[C@H](C)C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426234635 387550749 /nfs/dbraw/zinc/55/07/49/387550749.db2.gz DEYMXONRGHMNPX-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)CN1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426234635 387550751 /nfs/dbraw/zinc/55/07/51/387550751.db2.gz DEYMXONRGHMNPX-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCCc1nc(C)c(CN[C@@H](CC)COC)o1 ZINC000426352933 387558683 /nfs/dbraw/zinc/55/86/83/387558683.db2.gz RYWSHHNCGVZYPF-NSHDSACASA-N 0 1 240.347 2.450 20 0 BEADMN CC[N@H+](CC(=O)OC)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356198771 387627378 /nfs/dbraw/zinc/62/73/78/387627378.db2.gz YSLYJGHBZPPDSZ-DGCLKSJQSA-N 0 1 239.359 2.474 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356198771 387627380 /nfs/dbraw/zinc/62/73/80/387627380.db2.gz YSLYJGHBZPPDSZ-DGCLKSJQSA-N 0 1 239.359 2.474 20 0 BEADMN CCCCCN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000362072440 387567331 /nfs/dbraw/zinc/56/73/31/387567331.db2.gz NDSPPHZHMSOLBF-QWRGUYRKSA-N 0 1 217.378 2.018 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)o1 ZINC000426459265 387572223 /nfs/dbraw/zinc/57/22/23/387572223.db2.gz JYLIFSGLQVBEOQ-PWSUYJOCSA-N 0 1 249.310 2.441 20 0 BEADMN CCCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000362106238 387573638 /nfs/dbraw/zinc/57/36/38/387573638.db2.gz LKJOQDGQEUHTML-LLVKDONJSA-N 0 1 247.342 2.484 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1cncc(C)c1 ZINC000122996212 387577272 /nfs/dbraw/zinc/57/72/72/387577272.db2.gz LXWXZSYBHPIAJK-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN COC(=O)c1occc1CN1[C@H](C)CC[C@H]1C ZINC000123093138 387645794 /nfs/dbraw/zinc/64/57/94/387645794.db2.gz FUXZPSXCWJTWSZ-NXEZZACHSA-N 0 1 237.299 2.439 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1ncn(C)n1 ZINC000430734228 387646639 /nfs/dbraw/zinc/64/66/39/387646639.db2.gz UYCBKQHWVBDEEJ-TUAOUCFPSA-N 0 1 236.363 2.120 20 0 BEADMN C[C@H](O)CNCc1c(F)ccc(F)c1Cl ZINC000527686309 387657912 /nfs/dbraw/zinc/65/79/12/387657912.db2.gz GPITUUUCCHRMJU-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN CC(C)(O)CNCc1c(F)ccc(F)c1Cl ZINC000527658450 387663887 /nfs/dbraw/zinc/66/38/87/387663887.db2.gz UDSVAFZXLGYRJO-UHFFFAOYSA-N 0 1 249.688 2.479 20 0 BEADMN CCCCC[C@H]1CCCN1CC(=O)OC ZINC000362954205 387676368 /nfs/dbraw/zinc/67/63/68/387676368.db2.gz IBKZYPOEHDEQQC-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN C[C@@H](NCc1ncccn1)[C@@H]1C[C@H]1C1CC1 ZINC000527724837 387677348 /nfs/dbraw/zinc/67/73/48/387677348.db2.gz CJQPFOYHMWRFFP-USWWRNFRSA-N 0 1 217.316 2.001 20 0 BEADMN CC(C)CN(Cc1ncnn1CCF)C(C)C ZINC000440710301 387677579 /nfs/dbraw/zinc/67/75/79/387677579.db2.gz GKWCOGQHDFNKNV-UHFFFAOYSA-N 0 1 242.342 2.114 20 0 BEADMN CCn1nncc1CNCc1cc(F)ccc1C ZINC000527729412 387679751 /nfs/dbraw/zinc/67/97/51/387679751.db2.gz WACIZEIMEFLEBS-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN C[C@H](N[C@@H](C)c1cccnc1)c1cnn(C)c1 ZINC000044495102 387683996 /nfs/dbraw/zinc/68/39/96/387683996.db2.gz XMAZPLGYXRCXBM-QWRGUYRKSA-N 0 1 230.315 2.227 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](Oc2ccccn2)C1 ZINC000440771752 387690951 /nfs/dbraw/zinc/69/09/51/387690951.db2.gz SALCWYWANAXPOR-VXGBXAGGSA-N 0 1 238.306 2.283 20 0 BEADMN CC(C)C(C)(C)[S@](=O)C=C(O)c1ccc[nH]1 ZINC000431208957 387691030 /nfs/dbraw/zinc/69/10/30/387691030.db2.gz RVFSSCIMZOTAIN-MRXNPFEDSA-N 0 1 241.356 2.381 20 0 BEADMN C[C@H](NCC1=CCCOC1)c1ncccc1F ZINC000527825859 387745694 /nfs/dbraw/zinc/74/56/94/387745694.db2.gz DUVRQWKGJQQCKS-JTQLQIEISA-N 0 1 236.290 2.218 20 0 BEADMN Cc1cnc(CN[C@]23C[C@H]2COC3(C)C)s1 ZINC000527760474 387697392 /nfs/dbraw/zinc/69/73/92/387697392.db2.gz CSSRJJRFRPIWPR-JOYOIKCWSA-N 0 1 238.356 2.109 20 0 BEADMN CC[C@H](F)CN(C)CCOCC1CC1 ZINC000440786204 387698229 /nfs/dbraw/zinc/69/82/29/387698229.db2.gz YRZJEBCKQDYIQV-NSHDSACASA-N 0 1 203.301 2.093 20 0 BEADMN COC(=O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC000123489739 387702456 /nfs/dbraw/zinc/70/24/56/387702456.db2.gz DWAGJSXDBRMMGB-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)CN1CCCC[C@H]1CC(C)C ZINC000123489739 387702465 /nfs/dbraw/zinc/70/24/65/387702465.db2.gz DWAGJSXDBRMMGB-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cc2cccnc2o1 ZINC000527783497 387713134 /nfs/dbraw/zinc/71/31/34/387713134.db2.gz XBMGAJAVACCKON-OCCSQVGLSA-N 0 1 246.310 2.485 20 0 BEADMN Fc1cccc(F)c1CNCC12CC(C1)CO2 ZINC000527788756 387714326 /nfs/dbraw/zinc/71/43/26/387714326.db2.gz KXZFMNKJBJWCRX-UHFFFAOYSA-N 0 1 239.265 2.233 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@H]1CCC[C@@H](C)C1 ZINC000452055457 387716849 /nfs/dbraw/zinc/71/68/49/387716849.db2.gz BYUOVVZJAGVXST-VWYCJHECSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CCC[C@H](C)C1 ZINC000452055455 387717168 /nfs/dbraw/zinc/71/71/68/387717168.db2.gz BYUOVVZJAGVXST-GARJFASQSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1Cc1cn[nH]c1 ZINC000528773722 387718320 /nfs/dbraw/zinc/71/83/20/387718320.db2.gz QTTCANXRDZMWKH-MRVPVSSYSA-N 0 1 215.247 2.029 20 0 BEADMN Cc1nnc(CN(CC2CC2)CC2CC2)o1 ZINC000115564503 387723819 /nfs/dbraw/zinc/72/38/19/387723819.db2.gz IUQCYROXAJPUHT-UHFFFAOYSA-N 0 1 221.304 2.000 20 0 BEADMN CCN(CC(=O)NC(C)(C)C(C)(C)C)C1CC1 ZINC000356809833 387724916 /nfs/dbraw/zinc/72/49/16/387724916.db2.gz CRKNZRQBXSIHSW-UHFFFAOYSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1nc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cs1 ZINC000527805649 387729096 /nfs/dbraw/zinc/72/90/96/387729096.db2.gz VIEBQYJZIVMALX-NHRVJRKFSA-N 0 1 240.372 2.353 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1nccs1 ZINC000527806150 387729206 /nfs/dbraw/zinc/72/92/06/387729206.db2.gz WPDLRJGKOIPFEC-PKIKSRDPSA-N 0 1 226.345 2.045 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)NCc1cnc[nH]1 ZINC000356835429 387730049 /nfs/dbraw/zinc/73/00/49/387730049.db2.gz UIQPJICFKUYUHA-SECBINFHSA-N 0 1 223.320 2.098 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CCC(C)(C)C)CCN1C ZINC000356849636 387732975 /nfs/dbraw/zinc/73/29/75/387732975.db2.gz LLPUSBDIBHPTBL-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)C(C)(C)C ZINC000356855536 387733469 /nfs/dbraw/zinc/73/34/69/387733469.db2.gz QDBAUSVUIUOEFP-IJLUTSLNSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)N(Cc1nccc(N)n1)C1CC(C)(C)C1 ZINC000452104641 387739055 /nfs/dbraw/zinc/73/90/55/387739055.db2.gz MJQIQZPADDOCFD-UHFFFAOYSA-N 0 1 248.374 2.288 20 0 BEADMN CC(C)OC(=O)CCN(C)Cc1ccoc1 ZINC000441229844 387739167 /nfs/dbraw/zinc/73/91/67/387739167.db2.gz LEWNVIAFUDLYOT-UHFFFAOYSA-N 0 1 225.288 2.053 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CCC2CCC2)CCN1C ZINC000356893590 387742187 /nfs/dbraw/zinc/74/21/87/387742187.db2.gz XODOOXRWRWUFDO-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000356991200 387762140 /nfs/dbraw/zinc/76/21/40/387762140.db2.gz VMTSMANAFROXAM-GHMZBOCLSA-N 0 1 224.304 2.012 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)[C@@H]1CC12CC2 ZINC000527906594 387762528 /nfs/dbraw/zinc/76/25/28/387762528.db2.gz ZKYQLLCMCUMSJK-BDAKNGLRSA-N 0 1 239.750 2.352 20 0 BEADMN CCc1nnc(CN[C@@H](C)[C@@H]2CC23CC3)s1 ZINC000527901164 387779465 /nfs/dbraw/zinc/77/94/65/387779465.db2.gz OCBDSBNLWIWAIR-IUCAKERBSA-N 0 1 237.372 2.379 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc(C)ccc1F ZINC000052998550 387812659 /nfs/dbraw/zinc/81/26/59/387812659.db2.gz FDSYKLBYLMXIBV-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN FC(F)(F)c1cc(CNC2CSC2)ccn1 ZINC000648706122 387786439 /nfs/dbraw/zinc/78/64/39/387786439.db2.gz PDHJICIIRQPKGO-UHFFFAOYSA-N 0 1 248.273 2.305 20 0 BEADMN CCn1nncc1CN[C@H](C)c1cccs1 ZINC000527920526 387790519 /nfs/dbraw/zinc/79/05/19/387790519.db2.gz PVXDWWUCKXGDBY-SECBINFHSA-N 0 1 236.344 2.210 20 0 BEADMN Cc1ccnc(NCCCOC(F)F)c1 ZINC000193617968 387798120 /nfs/dbraw/zinc/79/81/20/387798120.db2.gz ICZRITHDAZOWAD-UHFFFAOYSA-N 0 1 216.231 2.431 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccncc1F ZINC000527981660 387800463 /nfs/dbraw/zinc/80/04/63/387800463.db2.gz UUUGPPODJRLSHC-WQAKAFBOSA-N 0 1 238.306 2.439 20 0 BEADMN CC[C@H](O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000442562058 387805990 /nfs/dbraw/zinc/80/59/90/387805990.db2.gz XWKYCSZILBFDEM-JTQLQIEISA-N 0 1 249.339 2.335 20 0 BEADMN Cn1nccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000134295342 387808224 /nfs/dbraw/zinc/80/82/24/387808224.db2.gz OBBVROZZMWIHSH-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN CC(C)C[C@H]1C(=O)NCC[N@@H+]1CC1(C)CCC1 ZINC000432789602 387820171 /nfs/dbraw/zinc/82/01/71/387820171.db2.gz TZDWOYOTVAHLAW-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@@H]1O ZINC000157528591 387821629 /nfs/dbraw/zinc/82/16/29/387821629.db2.gz BMOUDYJOSFGMMR-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1[N@@H+](Cc2cocn2)CCC12CCOCC2 ZINC000432925218 387841063 /nfs/dbraw/zinc/84/10/63/387841063.db2.gz QQAQUSRFGSIXLQ-NSHDSACASA-N 0 1 236.315 2.066 20 0 BEADMN C[C@@H]1N(Cc2cocn2)CCC12CCOCC2 ZINC000432925218 387841068 /nfs/dbraw/zinc/84/10/68/387841068.db2.gz QQAQUSRFGSIXLQ-NSHDSACASA-N 0 1 236.315 2.066 20 0 BEADMN CCN(Cc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC000432927544 387844428 /nfs/dbraw/zinc/84/44/28/387844428.db2.gz IHGSXWMYOSQSJR-UHFFFAOYSA-N 0 1 222.336 2.087 20 0 BEADMN Cc1cc(F)c(CN[C@@H]2CCOC2)c(F)c1 ZINC000424163565 387845571 /nfs/dbraw/zinc/84/55/71/387845571.db2.gz VLPQGUGNFAYICI-SECBINFHSA-N 0 1 227.254 2.152 20 0 BEADMN CCCN(CCC)C(=O)CN1CCCCC1 ZINC000061744506 387845724 /nfs/dbraw/zinc/84/57/24/387845724.db2.gz MYRYBEWDGPUKPF-UHFFFAOYSA-N 0 1 226.364 2.121 20 0 BEADMN CCN(Cc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC000432940493 387846364 /nfs/dbraw/zinc/84/63/64/387846364.db2.gz RXEOEJSYANCYBE-UHFFFAOYSA-N 0 1 224.352 2.333 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cc1cocn1 ZINC000433023643 387851978 /nfs/dbraw/zinc/85/19/78/387851978.db2.gz RXXBPGIDOMVPLR-JTQLQIEISA-N 0 1 206.289 2.439 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CC[C@H]2O)o1 ZINC000393181150 387858182 /nfs/dbraw/zinc/85/81/82/387858182.db2.gz BULWAFREOGFNQZ-HJQYOEGKSA-N 0 1 221.300 2.016 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)c(O)cc1C ZINC000235833502 387864511 /nfs/dbraw/zinc/86/45/11/387864511.db2.gz LWWXFEBJSUXWMR-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1nnc2ccccn21 ZINC000645854666 387872460 /nfs/dbraw/zinc/87/24/60/387872460.db2.gz QXKLQUWAFMBGEA-LLVKDONJSA-N 0 1 242.326 2.490 20 0 BEADMN CCOCCN[C@H](C)c1cccnc1Cl ZINC000161910785 387891047 /nfs/dbraw/zinc/89/10/47/387891047.db2.gz MCURRFHVUNRXLG-SECBINFHSA-N 0 1 228.723 2.422 20 0 BEADMN C[C@@H](CNCc1cocn1)CC(F)(F)F ZINC000396952503 387879729 /nfs/dbraw/zinc/87/97/29/387879729.db2.gz CXWOZNQMVASIMM-SSDOTTSWSA-N 0 1 222.210 2.353 20 0 BEADMN C1=C(CN2CCO[C@@H](C3CC3)C2)CCC1 ZINC000645861542 387881113 /nfs/dbraw/zinc/88/11/13/387881113.db2.gz RBCJDQFRYBWLAS-CYBMUJFWSA-N 0 1 207.317 2.208 20 0 BEADMN CSc1nn(C[C@H](C)c2ccccc2)c(=O)[nH]1 ZINC000194575997 387886095 /nfs/dbraw/zinc/88/60/95/387886095.db2.gz RGEUOGJOCWDZFZ-VIFPVBQESA-N 0 1 249.339 2.097 20 0 BEADMN CCCN1CCC[C@H]1C(=O)N[C@@H](CC)C(F)F ZINC000452676647 387886500 /nfs/dbraw/zinc/88/65/00/387886500.db2.gz TWLRVILARVDHAX-UWVGGRQHSA-N 0 1 248.317 2.021 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1cccc(C)n1 ZINC000645776619 387899436 /nfs/dbraw/zinc/89/94/36/387899436.db2.gz FKTGLQVQUAFVIG-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN CCC[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000195016268 387902518 /nfs/dbraw/zinc/90/25/18/387902518.db2.gz ALBMWHNGGBNKKY-GFCCVEGCSA-N 0 1 246.354 2.306 20 0 BEADMN CCCN(C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000195016268 387902520 /nfs/dbraw/zinc/90/25/20/387902520.db2.gz ALBMWHNGGBNKKY-GFCCVEGCSA-N 0 1 246.354 2.306 20 0 BEADMN CCC[C@@]1(COC)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000195199375 387907467 /nfs/dbraw/zinc/90/74/67/387907467.db2.gz UDBUZVBFGIZVEJ-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN CC(C)n1cncc1CNC1CC(F)(F)C1 ZINC000424190500 387913138 /nfs/dbraw/zinc/91/31/38/387913138.db2.gz MKQRMZNNMOSSRY-UHFFFAOYSA-N 0 1 229.274 2.351 20 0 BEADMN CO[C@@H](C)CNCc1c(F)cc(C)cc1F ZINC000424190113 387914035 /nfs/dbraw/zinc/91/40/35/387914035.db2.gz LWFIIWGRRKGGSQ-VIFPVBQESA-N 0 1 229.270 2.398 20 0 BEADMN CCC(CC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000242807457 387937694 /nfs/dbraw/zinc/93/76/94/387937694.db2.gz FHMDZYCUBNXRAT-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1nc(CNCc2ccc(F)c(C)c2)n[nH]1 ZINC000392355279 387957969 /nfs/dbraw/zinc/95/79/69/387957969.db2.gz MDPFIFOUUHKRNE-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN COc1ccc(CN2CC(C)C2)c(OC)c1 ZINC000438856197 387960524 /nfs/dbraw/zinc/96/05/24/387960524.db2.gz WMXPYAJIOWRXNL-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@@H]1C[C@H]1C ZINC000424310836 387962788 /nfs/dbraw/zinc/96/27/88/387962788.db2.gz TWOPDAVCNBWTDD-MXWKQRLJSA-N 0 1 235.331 2.009 20 0 BEADMN CCC[C@@H](O)CN[C@@H](C)c1csc(C)n1 ZINC000158858150 387966731 /nfs/dbraw/zinc/96/67/31/387966731.db2.gz IPIADIYOWVTLHG-WCBMZHEXSA-N 0 1 228.361 2.263 20 0 BEADMN CCC[C@@H](O)CN[C@H](C)c1csc(C)n1 ZINC000158858448 387966755 /nfs/dbraw/zinc/96/67/55/387966755.db2.gz IPIADIYOWVTLHG-PSASIEDQSA-N 0 1 228.361 2.263 20 0 BEADMN CCC[C@H](O)CN[C@H](C)c1csc(C)n1 ZINC000158858305 387966958 /nfs/dbraw/zinc/96/69/58/387966958.db2.gz IPIADIYOWVTLHG-SCZZXKLOSA-N 0 1 228.361 2.263 20 0 BEADMN CC(C)(O)CN1CC(C)(CC(F)(F)F)C1 ZINC000453043707 387968824 /nfs/dbraw/zinc/96/88/24/387968824.db2.gz UVLLSGGJYAHWOY-UHFFFAOYSA-N 0 1 225.254 2.032 20 0 BEADMN C[C@@H](N[C@H]1CN(C2CC2)C[C@@H]1C)C(F)(F)F ZINC000424322001 387971004 /nfs/dbraw/zinc/97/10/04/387971004.db2.gz KXBCOXNWVNKHAD-XKSSXDPKSA-N 0 1 236.281 2.010 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@H]1CCCCO1 ZINC000453074162 387978696 /nfs/dbraw/zinc/97/86/96/387978696.db2.gz JZIXVSYBMNPYNP-RYUDHWBXSA-N 0 1 237.347 2.123 20 0 BEADMN COc1ccnc(CN[C@@H](C)CCC2CC2)n1 ZINC000424310926 387974066 /nfs/dbraw/zinc/97/40/66/387974066.db2.gz UFFDTKDXANZYEW-JTQLQIEISA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)OCCCN1CCc2ncsc2C1 ZINC000445873211 387976670 /nfs/dbraw/zinc/97/66/70/387976670.db2.gz AAVNQJSMSIGOMD-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1nccs1 ZINC000334924568 387988336 /nfs/dbraw/zinc/98/83/36/387988336.db2.gz ILEDGLBUGGAUCV-IUCAKERBSA-N 0 1 226.345 2.361 20 0 BEADMN CCC[C@@](C)(O)CN[C@H](C)c1nccn1CC ZINC000453120748 387990209 /nfs/dbraw/zinc/99/02/09/387990209.db2.gz NBOLXEYBTDRRPI-DGCLKSJQSA-N 0 1 239.363 2.105 20 0 BEADMN C[C@H]1CCN(CC(=O)c2cccn2C)C[C@H]1C ZINC000245890129 387990409 /nfs/dbraw/zinc/99/04/09/387990409.db2.gz JKYDRTMBRFYYFU-NWDGAFQWSA-N 0 1 234.343 2.186 20 0 BEADMN CCN(CC(=O)NCC1CCCCC1)C1CC1 ZINC000045770789 387994298 /nfs/dbraw/zinc/99/42/98/387994298.db2.gz MABJACBUGFIHDW-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](OC)c1nc(C2(N)CCCCC2)no1 ZINC000424340745 387982164 /nfs/dbraw/zinc/98/21/64/387982164.db2.gz HKLJRXGFUNVJPB-VIFPVBQESA-N 0 1 239.319 2.285 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)[C@@H](C)[C@H](C)O1 ZINC000446083336 387997254 /nfs/dbraw/zinc/99/72/54/387997254.db2.gz QXYIRIRRKJSRJL-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)cc2)[C@@H](C)[C@@H](C)O1 ZINC000446080658 387997389 /nfs/dbraw/zinc/99/73/89/387997389.db2.gz SSMVMHZEUXULJN-FRRDWIJNSA-N 0 1 249.354 2.177 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)[C@H](C)[C@@H](C)O1 ZINC000446083675 387997483 /nfs/dbraw/zinc/99/74/83/387997483.db2.gz RVQNDROKOCRGHV-IJLUTSLNSA-N 0 1 229.364 2.299 20 0 BEADMN CCC[C@@H](NCc1ncn(C)n1)C(C)(C)C ZINC000453166540 388000398 /nfs/dbraw/zinc/00/03/98/388000398.db2.gz QXMLNDBTGQTFKH-SNVBAGLBSA-N 0 1 224.352 2.120 20 0 BEADMN CC(C)=CCSCCN1CCO[C@@H](C)C1 ZINC000446134163 388003625 /nfs/dbraw/zinc/00/36/25/388003625.db2.gz CFYAGUHSEYMGJR-LBPRGKRZSA-N 0 1 229.389 2.407 20 0 BEADMN Cc1ccncc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424416552 388005574 /nfs/dbraw/zinc/00/55/74/388005574.db2.gz KIWHXAGHRHYSFF-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN CCn1ccnc1[C@@H](C)NCC1(OC)CCC1 ZINC000453193672 388006632 /nfs/dbraw/zinc/00/66/32/388006632.db2.gz GLDSCLUAUPXOME-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@H]2CCC(C)(C)O2)c2nccn21 ZINC000453190711 388007026 /nfs/dbraw/zinc/00/70/26/388007026.db2.gz AHAAJKACSJXRKS-GRYCIOLGSA-N 0 1 249.358 2.436 20 0 BEADMN CCOC(C)(C)CN[C@H](C)c1nccn1CC ZINC000453201554 388008369 /nfs/dbraw/zinc/00/83/69/388008369.db2.gz TYOUWDQDEHWLAX-LLVKDONJSA-N 0 1 239.363 2.369 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453204378 388010469 /nfs/dbraw/zinc/01/04/69/388010469.db2.gz BPVMUBYGKKDJSJ-RVMXOQNASA-N 0 1 249.358 2.436 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccn[nH]1 ZINC000246134468 388012405 /nfs/dbraw/zinc/01/24/05/388012405.db2.gz JLGVCHVIQUITCR-JFGNBEQYSA-N 0 1 233.315 2.203 20 0 BEADMN CC(C)c1ncc(CNC(=O)C2CC3(CC3)C2)[nH]1 ZINC001645476150 1172670834 /nfs/dbraw/zinc/67/08/34/1172670834.db2.gz DSRBQBYZAAOQML-UHFFFAOYSA-N 0 1 247.342 2.340 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc[nH]1 ZINC000082261285 388018668 /nfs/dbraw/zinc/01/86/68/388018668.db2.gz WQZKZCWZXKYRRE-UHFFFAOYSA-N 0 1 226.239 2.143 20 0 BEADMN Cc1ccc(C[N@@H+](CCO)C2CCC2)s1 ZINC000439785901 388021056 /nfs/dbraw/zinc/02/10/56/388021056.db2.gz HNANHYPFNTZGEL-UHFFFAOYSA-N 0 1 225.357 2.403 20 0 BEADMN CCC[C@@H](CN[C@H](CC)c1nccn1C)OC ZINC000453238733 388021162 /nfs/dbraw/zinc/02/11/62/388021162.db2.gz ALMTVKVMIRPRQE-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CC/C=C\CN[C@H](C)c1cc(C)n(C)n1 ZINC000453314273 388043813 /nfs/dbraw/zinc/04/38/13/388043813.db2.gz IIYHCLOPLQBHEE-JMEBYUIHSA-N 0 1 207.321 2.345 20 0 BEADMN CCC[C@H](CN[C@@H](CC)c1ccn(C)n1)OC ZINC000453261200 388028006 /nfs/dbraw/zinc/02/80/06/388028006.db2.gz YTVBNPMYNJIDFP-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CCC[C@H](CN[C@H](CC)c1ccn(C)n1)OC ZINC000453261693 388028673 /nfs/dbraw/zinc/02/86/73/388028673.db2.gz YTVBNPMYNJIDFP-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN Cc1ccnc(NCCOc2ncccc2F)c1 ZINC000446886851 388044285 /nfs/dbraw/zinc/04/42/85/388044285.db2.gz KXUXLUJOCKRESJ-UHFFFAOYSA-N 0 1 247.273 2.415 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000083662655 388057369 /nfs/dbraw/zinc/05/73/69/388057369.db2.gz APLNNLQRBKEIEQ-JTQLQIEISA-N 0 1 237.299 2.163 20 0 BEADMN COCC[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000447347841 388065592 /nfs/dbraw/zinc/06/55/92/388065592.db2.gz GMLBIEAZZQVZJU-SSDOTTSWSA-N 0 1 227.333 2.199 20 0 BEADMN COCC[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000447347841 388065597 /nfs/dbraw/zinc/06/55/97/388065597.db2.gz GMLBIEAZZQVZJU-SSDOTTSWSA-N 0 1 227.333 2.199 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H]2CCCC[C@H]2O)no1 ZINC000453385599 388067187 /nfs/dbraw/zinc/06/71/87/388067187.db2.gz UUWBUUAJVSHSGV-NTZNESFSSA-N 0 1 238.331 2.185 20 0 BEADMN CCCc1ncc(CN[C@@H](C)[C@H]2CCCO2)o1 ZINC000453384826 388068073 /nfs/dbraw/zinc/06/80/73/388068073.db2.gz NFPOHMZJXMNRDQ-CMPLNLGQSA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cc(C)oc1C)C(=O)NC ZINC000453405529 388074857 /nfs/dbraw/zinc/07/48/57/388074857.db2.gz OWIAGSZKAAYQQU-JOYOIKCWSA-N 0 1 238.331 2.072 20 0 BEADMN CC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccn(C)n1 ZINC000453418226 388078663 /nfs/dbraw/zinc/07/86/63/388078663.db2.gz VZJKLBZSXRCHLK-SRVKXCTJSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H](CC)C(=O)NC)o1 ZINC000453422830 388080467 /nfs/dbraw/zinc/08/04/67/388080467.db2.gz XJQQLFMDQSENNU-ONGXEEELSA-N 0 1 238.331 2.017 20 0 BEADMN COC[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172460 388084661 /nfs/dbraw/zinc/08/46/61/388084661.db2.gz OYNJHWJHBWYPEV-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN CCCn1cc(CN2CC(CC)C2)cn1 ZINC000453605787 388090674 /nfs/dbraw/zinc/09/06/74/388090674.db2.gz OYXPKRHFQLBBDZ-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN COc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1C ZINC000447746539 388090682 /nfs/dbraw/zinc/09/06/82/388090682.db2.gz PXCKSSOTSANSKV-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN CCC1CN(Cc2cnn(C(C)C)c2)C1 ZINC000453606814 388091364 /nfs/dbraw/zinc/09/13/64/388091364.db2.gz RLPLCDHLQAFSSU-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN Fc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000071396686 388092957 /nfs/dbraw/zinc/09/29/57/388092957.db2.gz ICUORSRUKFMPJM-JTQLQIEISA-N 0 1 233.246 2.300 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ncc[nH]2)C12CCCC2 ZINC000085681756 388094335 /nfs/dbraw/zinc/09/43/35/388094335.db2.gz AFGOXKMRQVCJHV-NEPJUHHUSA-N 0 1 249.358 2.237 20 0 BEADMN COCCN(CCC1CC1)Cc1cncs1 ZINC000447833803 388096104 /nfs/dbraw/zinc/09/61/04/388096104.db2.gz PKFUURXJTVASSW-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN Clc1ncccc1CN[C@H]1CCCOC1 ZINC000163932208 388099706 /nfs/dbraw/zinc/09/97/06/388099706.db2.gz OTSOKXWHRQMYOV-JTQLQIEISA-N 0 1 226.707 2.004 20 0 BEADMN C[C@@H](O)CCN[C@H](C)c1c(F)cccc1F ZINC000082994047 388044798 /nfs/dbraw/zinc/04/47/98/388044798.db2.gz YBPKVTDYBNDLNU-RKDXNWHRSA-N 0 1 229.270 2.386 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453328437 388048375 /nfs/dbraw/zinc/04/83/75/388048375.db2.gz PPQODSDIGQVHID-DDHJBXDOSA-N 0 1 235.331 2.046 20 0 BEADMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000453335425 388050205 /nfs/dbraw/zinc/05/02/05/388050205.db2.gz AEHIOUPGRQJIAA-DMDPSCGWSA-N 0 1 239.315 2.043 20 0 BEADMN CCc1nnc([C@H](C)N[C@H](C)Cc2ccoc2)[nH]1 ZINC000449205006 388157127 /nfs/dbraw/zinc/15/71/27/388157127.db2.gz NKSMUCZIWZUFNZ-ZJUUUORDSA-N 0 1 248.330 2.242 20 0 BEADMN COc1nccnc1CN1CCCC2(CCC2)C1 ZINC000449291938 388167860 /nfs/dbraw/zinc/16/78/60/388167860.db2.gz AUQBTWDAGRUINL-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CCN(Cc1nccnc1OC)CC1CCC1 ZINC000449296680 388168695 /nfs/dbraw/zinc/16/86/95/388168695.db2.gz CLNPWBBKHMVJSD-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COc1nccnc1CN(CC1CC1)C1CCC1 ZINC000449296689 388168839 /nfs/dbraw/zinc/16/88/39/388168839.db2.gz CNCGSWKBPVZYSN-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN Cc1cnc(CN[C@@H](CO)CC2CCC2)s1 ZINC000449296901 388169174 /nfs/dbraw/zinc/16/91/74/388169174.db2.gz DJYFYLOJXNPWLJ-LLVKDONJSA-N 0 1 240.372 2.092 20 0 BEADMN COc1cc(F)cc(CN[C@H](C)CF)c1 ZINC000449328341 388173253 /nfs/dbraw/zinc/17/32/53/388173253.db2.gz FFVVZXBEHQQKMJ-MRVPVSSYSA-N 0 1 215.243 2.282 20 0 BEADMN CC(C)C[C@@H](CO)N(C)Cc1ccncc1F ZINC000449331412 388174581 /nfs/dbraw/zinc/17/45/81/388174581.db2.gz ONRRXPRUGPQJDN-LBPRGKRZSA-N 0 1 240.322 2.060 20 0 BEADMN C[C@@H](CF)NCc1cc2cccnc2o1 ZINC000449334487 388174854 /nfs/dbraw/zinc/17/48/54/388174854.db2.gz XONJHXSOGWYWLW-QMMMGPOBSA-N 0 1 208.236 2.275 20 0 BEADMN CC[C@@H](N[C@@H]1CCCOCC1)C(F)F ZINC000449356542 388180728 /nfs/dbraw/zinc/18/07/28/388180728.db2.gz AFDRPTJDXPYVDH-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN COC1(C[C@@H](C)NC(CF)CF)CCC1 ZINC000449380937 388185178 /nfs/dbraw/zinc/18/51/78/388185178.db2.gz PNBBOIJFEOMNIF-SECBINFHSA-N 0 1 221.291 2.231 20 0 BEADMN CCC[C@@H](CNCc1ccn(C(F)F)n1)OC ZINC000449372786 388185185 /nfs/dbraw/zinc/18/51/85/388185185.db2.gz ALRADHKXFVQBSC-JTQLQIEISA-N 0 1 247.289 2.183 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@@H]1C[C@H]1C)C1CC1 ZINC000488571912 388185950 /nfs/dbraw/zinc/18/59/50/388185950.db2.gz HGTULIGOEDPZFQ-VWYCJHECSA-N 0 1 225.332 2.058 20 0 BEADMN CCN1CCN(Cc2cccc(C)c2F)CC1 ZINC000449002445 388127843 /nfs/dbraw/zinc/12/78/43/388127843.db2.gz LCFBNJLSLHUPEP-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000449027010 388131391 /nfs/dbraw/zinc/13/13/91/388131391.db2.gz HDOYOFDXRYTPQZ-VXGBXAGGSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1cccc(CN2CCN(C)C[C@H]2C)c1F ZINC000449034007 388132975 /nfs/dbraw/zinc/13/29/75/388132975.db2.gz HHEUTGREVYWESQ-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN CCN(Cc1ccncc1F)CC1CC1 ZINC000449033069 388133038 /nfs/dbraw/zinc/13/30/38/388133038.db2.gz BSZOAAYSTZSNMP-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN C[N@@H+](Cc1ccncc1F)[C@H](CO)C(C)(C)C ZINC000449039277 388134193 /nfs/dbraw/zinc/13/41/93/388134193.db2.gz YYGXAGDDNKZGDP-GFCCVEGCSA-N 0 1 240.322 2.060 20 0 BEADMN CN(Cc1ccncc1F)[C@H](CO)C(C)(C)C ZINC000449039277 388134194 /nfs/dbraw/zinc/13/41/94/388134194.db2.gz YYGXAGDDNKZGDP-GFCCVEGCSA-N 0 1 240.322 2.060 20 0 BEADMN CCOC[C@@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449038332 388134506 /nfs/dbraw/zinc/13/45/06/388134506.db2.gz SYPQXXXOAVYDNS-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000449038332 388134509 /nfs/dbraw/zinc/13/45/09/388134509.db2.gz SYPQXXXOAVYDNS-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CCn1nnc(C)c1CNCc1ccccc1C ZINC000449058564 388136956 /nfs/dbraw/zinc/13/69/56/388136956.db2.gz KIMQTVSPDMEOPU-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N1CCCN(C)CC1 ZINC000449064178 388138223 /nfs/dbraw/zinc/13/82/23/388138223.db2.gz SSVLSJYABFKUEK-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CN(Cc1nc(-c2ccccn2)no1)C(C)(C)C ZINC000646087737 388139308 /nfs/dbraw/zinc/13/93/08/388139308.db2.gz AOJDWQWKOYEYNM-UHFFFAOYSA-N 0 1 246.314 2.362 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@H]1CC1(C)C ZINC000449122165 388145704 /nfs/dbraw/zinc/14/57/04/388145704.db2.gz KJLLFFXRSGCHPG-YPMHNXCESA-N 0 1 246.354 2.157 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H]2C2CCC2)[nH]1 ZINC000646139955 388154474 /nfs/dbraw/zinc/15/44/74/388154474.db2.gz JSASORISNXQIDB-GFCCVEGCSA-N 0 1 234.347 2.268 20 0 BEADMN c1ccc(CCCCN2CCOCC2)cc1 ZINC000166184585 388254511 /nfs/dbraw/zinc/25/45/11/388254511.db2.gz VYLDZIACFQILCG-UHFFFAOYSA-N 0 1 219.328 2.342 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2cccnc2)n[nH]1 ZINC000065288496 388255628 /nfs/dbraw/zinc/25/56/28/388255628.db2.gz MBFWEDYPTWGKCU-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CN(Cc1ccn(CC(F)(F)F)n1)C1CCC1 ZINC000450438471 388255972 /nfs/dbraw/zinc/25/59/72/388255972.db2.gz KNCFOIVAVWPNMR-UHFFFAOYSA-N 0 1 247.264 2.430 20 0 BEADMN FCC(CF)N[C@H]1CCC[C@H]1C1CC1 ZINC000449381034 388189131 /nfs/dbraw/zinc/18/91/31/388189131.db2.gz QFJMZKPCGHFIBM-QWRGUYRKSA-N 0 1 203.276 2.462 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@@H]1C1CC1 ZINC000449381032 388189187 /nfs/dbraw/zinc/18/91/87/388189187.db2.gz QFJMZKPCGHFIBM-GHMZBOCLSA-N 0 1 203.276 2.462 20 0 BEADMN C[C@@H](C[S@@](C)=O)NCc1ccccc1Cl ZINC000164271399 388191318 /nfs/dbraw/zinc/19/13/18/388191318.db2.gz FXPQSSQGHZENHL-VFZGTOFNSA-N 0 1 245.775 2.197 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(CC)C[C@H]1CC ZINC000456369685 388196251 /nfs/dbraw/zinc/19/62/51/388196251.db2.gz FUJJDGSJBNPWCG-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)CCC(C)C ZINC000456361201 388196862 /nfs/dbraw/zinc/19/68/62/388196862.db2.gz VVLZEMVIJHQOKG-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)[C@@H](C)C(C)C ZINC000456384698 388197759 /nfs/dbraw/zinc/19/77/59/388197759.db2.gz QGZRHAUDEJEXIJ-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCN(Cc1ccc2c(c1)CCC2)C1COC1 ZINC000449427693 388202783 /nfs/dbraw/zinc/20/27/83/388202783.db2.gz SSAQYRROUIALJD-UHFFFAOYSA-N 0 1 231.339 2.396 20 0 BEADMN COCCCN1CCOc2ccc(F)cc2C1 ZINC000489174019 388205301 /nfs/dbraw/zinc/20/53/01/388205301.db2.gz ZIBOFDVOLPSCHT-UHFFFAOYSA-N 0 1 239.290 2.057 20 0 BEADMN CCCN1CCOc2ccc(F)cc2C1 ZINC000489239697 388206877 /nfs/dbraw/zinc/20/68/77/388206877.db2.gz OXXMXAFQAQCOEU-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN CCc1nsc(NC[C@@H]2C[C@H]2C(C)C)n1 ZINC000450815666 388259290 /nfs/dbraw/zinc/25/92/90/388259290.db2.gz ZCAYYBQNTVWEFG-IUCAKERBSA-N 0 1 225.361 2.226 20 0 BEADMN C[N@@H+](Cc1cccc(C(N)=O)c1)[C@@H]1CC1(C)C ZINC000489431015 388214186 /nfs/dbraw/zinc/21/41/86/388214186.db2.gz GPBZSLSILZMRGW-GFCCVEGCSA-N 0 1 232.327 2.016 20 0 BEADMN C[C@@H]1[C@H](C)C[N@H+](Cc2ncccc2[O-])[C@H]1C ZINC000517900887 256553923 /nfs/dbraw/zinc/55/39/23/256553923.db2.gz VIYFUYVIIBRMEI-MXWKQRLJSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2ncccc2[O-])[C@H]1C ZINC000517900887 256553925 /nfs/dbraw/zinc/55/39/25/256553925.db2.gz VIYFUYVIIBRMEI-MXWKQRLJSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@@H](NCC12CCC(CC1)C2)c1ncn(C)n1 ZINC000450814705 388259423 /nfs/dbraw/zinc/25/94/23/388259423.db2.gz ZISCHUKXUBJDQV-XSRFYTQQSA-N 0 1 234.347 2.046 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)cn2)C[C@@H]1C ZINC000449494456 388219161 /nfs/dbraw/zinc/21/91/61/388219161.db2.gz NCCLOKYKNGAHLF-SMDDNHRTSA-N 0 1 249.358 2.032 20 0 BEADMN C[C@H]1CCCCN1C(=O)CN(C)[C@H]1CC1(C)C ZINC000489507884 388219305 /nfs/dbraw/zinc/21/93/05/388219305.db2.gz DQKGTTYYVCDCTJ-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN c1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)n[nH]1 ZINC000449539953 388227330 /nfs/dbraw/zinc/22/73/30/388227330.db2.gz MDPHXQYOOJKKAL-OLZOCXBDSA-N 0 1 217.316 2.030 20 0 BEADMN CCCc1csc(CN[C@@H](CC)[C@H](C)O)n1 ZINC000449543270 388228191 /nfs/dbraw/zinc/22/81/91/388228191.db2.gz ODFJQTPWPHHKSM-ONGXEEELSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@@H]1CN(CC)CCN1Cc1nccs1 ZINC000449564410 388233452 /nfs/dbraw/zinc/23/34/52/388233452.db2.gz ANQUGWURFCHJEN-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN Cc1ccc(C)c(CSCc2nn[nH]n2)c1 ZINC000490392330 388238301 /nfs/dbraw/zinc/23/83/01/388238301.db2.gz GHMREPHRTVYSLC-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN COCc1nc(CNC[C@@H]2C[C@H]2C)cs1 ZINC000164428122 388238348 /nfs/dbraw/zinc/23/83/48/388238348.db2.gz WFYHPGBYZNUJSF-BDAKNGLRSA-N 0 1 226.345 2.035 20 0 BEADMN CCc1ncc(CNC2CC(OC(C)C)C2)o1 ZINC000449609322 388242181 /nfs/dbraw/zinc/24/21/81/388242181.db2.gz MTXLLEWOPLXQET-UHFFFAOYSA-N 0 1 238.331 2.283 20 0 BEADMN CCCc1ncc(CN[C@@H](C)Cn2cccn2)o1 ZINC000449611099 388242391 /nfs/dbraw/zinc/24/23/91/388242391.db2.gz IPKXUIRRTAUDDP-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN CCCc1ncc(CN[C@H]2CCSC2)o1 ZINC000449609414 388242670 /nfs/dbraw/zinc/24/26/70/388242670.db2.gz BMAFZFUMLCGVRA-VIFPVBQESA-N 0 1 226.345 2.222 20 0 BEADMN CC[C@H](C)[NH+]1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000449633167 388246131 /nfs/dbraw/zinc/24/61/31/388246131.db2.gz SQJWWKIXIXKFNA-AGIUHOORSA-N 0 1 210.365 2.059 20 0 BEADMN CO[C@H]1C[C@H]([N@@H+](C)Cc2ccncc2)C12CCC2 ZINC000449633067 388246196 /nfs/dbraw/zinc/24/61/96/388246196.db2.gz OQRFILFRUADKGF-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN COc1ccnc(CN[C@H]2CCC23CCCC3)n1 ZINC000451463593 388275379 /nfs/dbraw/zinc/27/53/79/388275379.db2.gz XPGLMTVOCQPQRX-NSHDSACASA-N 0 1 247.342 2.298 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)[C@@H](C)CN1C ZINC000492318814 388341344 /nfs/dbraw/zinc/34/13/44/388341344.db2.gz JQTKLSIEEXBAPI-WZIXFXTNSA-N 0 1 238.375 2.140 20 0 BEADMN COC[C@H](NCc1nccs1)C1CCCC1 ZINC000275864838 388345753 /nfs/dbraw/zinc/34/57/53/388345753.db2.gz NEOWNRVLFUGFGQ-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN CCc1cccc(F)c1CN1CC(CCO)C1 ZINC000459585544 256687867 /nfs/dbraw/zinc/68/78/67/256687867.db2.gz BECPOYKPDXUKCI-UHFFFAOYSA-N 0 1 237.318 2.202 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524251839 388352919 /nfs/dbraw/zinc/35/29/19/388352919.db2.gz PFTGGUHSGSNKSO-SECBINFHSA-N 0 1 225.254 2.438 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)n[nH]1 ZINC000648784263 388353496 /nfs/dbraw/zinc/35/34/96/388353496.db2.gz JSKFWCNXOMMZGR-CMPLNLGQSA-N 0 1 249.358 2.407 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCC(C)=C(C)C2)n[nH]1 ZINC000648784106 388353650 /nfs/dbraw/zinc/35/36/50/388353650.db2.gz CCEGKJRXTMEWHW-GFCCVEGCSA-N 0 1 247.342 2.471 20 0 BEADMN CCOCCN(C)Cc1ccc(Cl)cn1 ZINC000572998939 388404719 /nfs/dbraw/zinc/40/47/19/388404719.db2.gz JWRCXTLIYNGBON-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cccc(F)c1F ZINC000293646787 388355766 /nfs/dbraw/zinc/35/57/66/388355766.db2.gz GNHZLUUIIUCQGP-JTQLQIEISA-N 0 1 229.270 2.168 20 0 BEADMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293652807 388356317 /nfs/dbraw/zinc/35/63/17/388356317.db2.gz SPUSQFJEUSFGGL-DTWKUNHWSA-N 0 1 243.734 2.152 20 0 BEADMN CCOC1CCN(Cc2cnc(C)s2)CC1 ZINC000193500463 388363244 /nfs/dbraw/zinc/36/32/44/388363244.db2.gz MOCYHADYOLJDMD-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CN(Cc1ccc(Br)cn1)C1CC1 ZINC000132827962 388370014 /nfs/dbraw/zinc/37/00/14/388370014.db2.gz ZCJHFOXDAADBHW-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN C[C@@H]1[C@H](O)CCN1Cc1sccc1Cl ZINC000648800747 388373118 /nfs/dbraw/zinc/37/31/18/388373118.db2.gz QNQXMZIDSRLTIZ-VXNVDRBHSA-N 0 1 231.748 2.357 20 0 BEADMN Cc1cccc(CN(C)C(=O)[C@H](C)N(C)C)c1C ZINC000646540668 388378591 /nfs/dbraw/zinc/37/85/91/388378591.db2.gz PLRPJIYOJXTQTI-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCCCC2)C1 ZINC000646560970 388382458 /nfs/dbraw/zinc/38/24/58/388382458.db2.gz HKROBGZBXBHKPM-CMPLNLGQSA-N 0 1 247.342 2.088 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000519758800 256658156 /nfs/dbraw/zinc/65/81/56/256658156.db2.gz JJVVOKOQAQAIDX-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC2(C)C)n[nH]1 ZINC000572892504 388385395 /nfs/dbraw/zinc/38/53/95/388385395.db2.gz FTPHMWNVIFKGAX-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN C[C@@]1(NCc2cccc(O)c2Cl)CCOC1 ZINC000293370613 388387639 /nfs/dbraw/zinc/38/76/39/388387639.db2.gz VHQQWFQLSQWBHK-GFCCVEGCSA-N 0 1 241.718 2.314 20 0 BEADMN C[C@@H]1[C@H](O)CCCN1Cc1cc(F)cc(F)c1 ZINC000294972914 388406393 /nfs/dbraw/zinc/40/63/93/388406393.db2.gz JFRHFBRCQDLBEI-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000134090256 388393102 /nfs/dbraw/zinc/39/31/02/388393102.db2.gz DAOGKCHDSNICFA-UHFFFAOYSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000134090256 388393105 /nfs/dbraw/zinc/39/31/05/388393105.db2.gz DAOGKCHDSNICFA-UHFFFAOYSA-N 0 1 247.338 2.334 20 0 BEADMN CCCCN(C)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000646602369 388393375 /nfs/dbraw/zinc/39/33/75/388393375.db2.gz JEVHQUFQACNOAY-CMPLNLGQSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H](CN[C@@H]1CCn2ccnc21)c1nccs1 ZINC000294232964 388396485 /nfs/dbraw/zinc/39/64/85/388396485.db2.gz VOSGMUMZTBBSDF-VHSXEESVSA-N 0 1 248.355 2.178 20 0 BEADMN O=C(/C=C\C1CCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000492066709 388333491 /nfs/dbraw/zinc/33/34/91/388333491.db2.gz GVYAGRCDOMIYGH-DANTVBBOSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(/C=C\C1CCC1)N1CCN2CCCC[C@H]2C1 ZINC000492066709 388333492 /nfs/dbraw/zinc/33/34/92/388333492.db2.gz GVYAGRCDOMIYGH-DANTVBBOSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(/C=C/C1CCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000492066710 388333605 /nfs/dbraw/zinc/33/36/05/388333605.db2.gz GVYAGRCDOMIYGH-HSBSLETESA-N 0 1 248.370 2.039 20 0 BEADMN O=C(/C=C/C1CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000492066710 388333606 /nfs/dbraw/zinc/33/36/06/388333606.db2.gz GVYAGRCDOMIYGH-HSBSLETESA-N 0 1 248.370 2.039 20 0 BEADMN C/C=C/C=C/C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000492263151 388339728 /nfs/dbraw/zinc/33/97/28/388339728.db2.gz ROTPXDRZCQUQJX-FBWQRHIZSA-N 0 1 236.359 2.060 20 0 BEADMN Cc1cc(CNCCc2ncccc2C)no1 ZINC000404913921 388442474 /nfs/dbraw/zinc/44/24/74/388442474.db2.gz OOOQYAZLRAJBCP-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1cnccn1 ZINC000308546667 388442785 /nfs/dbraw/zinc/44/27/85/388442785.db2.gz PITKFBQEHJJGMQ-LLVKDONJSA-N 0 1 237.347 2.332 20 0 BEADMN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccn(C)n1 ZINC000393917062 388445788 /nfs/dbraw/zinc/44/57/88/388445788.db2.gz WOLSGGXDLNCWOL-XKSSXDPKSA-N 0 1 229.274 2.114 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cccc2c1OCO2 ZINC000525997423 388452825 /nfs/dbraw/zinc/45/28/25/388452825.db2.gz RENHBFKKLNSJHW-AOOOYVTPSA-N 0 1 219.284 2.398 20 0 BEADMN O=C(Nc1nccs1)c1cccc2nc[nH]c21 ZINC000074732489 388462112 /nfs/dbraw/zinc/46/21/12/388462112.db2.gz DCQQGRQRVNDWIK-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC(C)(C)C(C)(C)NCc1csnn1 ZINC000336686644 388462635 /nfs/dbraw/zinc/46/26/35/388462635.db2.gz LPGXUSYJXDFYPH-UHFFFAOYSA-N 0 1 213.350 2.452 20 0 BEADMN COC[C@@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000193890872 388469468 /nfs/dbraw/zinc/46/94/68/388469468.db2.gz IPMCOTRGKCGDBU-CYBMUJFWSA-N 0 1 237.343 2.341 20 0 BEADMN CC(C)[C@H](C)Nc1ccc2nn[nH]c2c1 ZINC000134318682 388476347 /nfs/dbraw/zinc/47/63/47/388476347.db2.gz SCBWMCONSRTNEV-QMMMGPOBSA-N 0 1 204.277 2.414 20 0 BEADMN CC(C)[C@H](C)Nc1ccc2n[nH]nc2c1 ZINC000134318682 388476349 /nfs/dbraw/zinc/47/63/49/388476349.db2.gz SCBWMCONSRTNEV-QMMMGPOBSA-N 0 1 204.277 2.414 20 0 BEADMN C[C@H](N[C@H]1CCOC1(C)C)c1nccs1 ZINC000296364071 388423195 /nfs/dbraw/zinc/42/31/95/388423195.db2.gz IXEULYKIZRRDTC-IUCAKERBSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](N[C@H]1CCOC1(C)C)c1cscn1 ZINC000296488371 388424299 /nfs/dbraw/zinc/42/42/99/388424299.db2.gz ONUIJQUUJLYPTE-WPRPVWTQSA-N 0 1 226.345 2.361 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000307827519 388428143 /nfs/dbraw/zinc/42/81/43/388428143.db2.gz YHTLSUOTKYSFJY-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN c1nc(CN2CCS[C@@H]3CCCC[C@H]32)c[nH]1 ZINC000245703918 388429155 /nfs/dbraw/zinc/42/91/55/388429155.db2.gz DQRXUHPVISTNMG-VXGBXAGGSA-N 0 1 237.372 2.270 20 0 BEADMN Cc1nn(C)cc1CN1CCS[C@H](C)[C@H]1C ZINC000245740543 388430892 /nfs/dbraw/zinc/43/08/92/388430892.db2.gz LQINHSOGMVEEOI-GHMZBOCLSA-N 0 1 239.388 2.054 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)NCc1cnc[nH]1 ZINC000308092093 388431741 /nfs/dbraw/zinc/43/17/41/388431741.db2.gz SWJZIJRKGBRSAW-LLVKDONJSA-N 0 1 237.347 2.488 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000245854084 388433238 /nfs/dbraw/zinc/43/32/38/388433238.db2.gz DHILOEYSXLSMJE-ZJUUUORDSA-N 0 1 208.305 2.461 20 0 BEADMN CCC[C@@H](NCc1nc(C)no1)C1CCC1 ZINC000322401686 388434038 /nfs/dbraw/zinc/43/40/38/388434038.db2.gz SFIUFBNIHYXZPY-LLVKDONJSA-N 0 1 223.320 2.436 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@]12C[C@H]1CCC2 ZINC000573234466 388434762 /nfs/dbraw/zinc/43/47/62/388434762.db2.gz SNRQTXDELZYANH-AMIZOPFISA-N 0 1 242.282 2.087 20 0 BEADMN C[C@@H]1CN(Cc2cc(CO)ccc2F)[C@H]1C ZINC000528513250 388537722 /nfs/dbraw/zinc/53/77/22/388537722.db2.gz RCUUCLBDUBPQTC-ZJUUUORDSA-N 0 1 223.291 2.158 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ncccc1Cl ZINC000528551667 388546084 /nfs/dbraw/zinc/54/60/84/388546084.db2.gz IWLKOPYYYCKUOU-JOYOIKCWSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1nocc1CN[C@@H](C)CC(F)(F)F ZINC000339363013 388482045 /nfs/dbraw/zinc/48/20/45/388482045.db2.gz QSDJIDSFRHATIP-LURJTMIESA-N 0 1 222.210 2.414 20 0 BEADMN COC(C)(C)[C@H](C)NCc1ncccc1F ZINC000378672232 388482174 /nfs/dbraw/zinc/48/21/74/388482174.db2.gz LDCUOIJVZWYIOA-VIFPVBQESA-N 0 1 226.295 2.124 20 0 BEADMN Cc1nocc1CN[C@H](C)CC(F)(F)F ZINC000339363016 388482400 /nfs/dbraw/zinc/48/24/00/388482400.db2.gz QSDJIDSFRHATIP-ZCFIWIBFSA-N 0 1 222.210 2.414 20 0 BEADMN C[C@H](F)CCNCc1ccn(C(F)F)n1 ZINC000339488471 388483422 /nfs/dbraw/zinc/48/34/22/388483422.db2.gz PAWJAQPJBWGEOG-ZETCQYMHSA-N 0 1 221.226 2.116 20 0 BEADMN CC1(C)CCN1C(=O)c1c(O)cccc1F ZINC000547799131 388484845 /nfs/dbraw/zinc/48/48/45/388484845.db2.gz JCZVKTRSRWLXMB-UHFFFAOYSA-N 0 1 223.247 2.156 20 0 BEADMN CC(C)CCN(C)[C@H](C)C(=O)OC(C)C ZINC000177490801 388485180 /nfs/dbraw/zinc/48/51/80/388485180.db2.gz KJZNVVIKOWWYQO-LLVKDONJSA-N 0 1 215.337 2.304 20 0 BEADMN CN(C)c1ncc(CN[C@H]2CCC[C@H]2F)s1 ZINC000339588506 388486371 /nfs/dbraw/zinc/48/63/71/388486371.db2.gz ZTJHTPIURJPDNP-ZJUUUORDSA-N 0 1 243.351 2.189 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc2cc[nH]c21 ZINC000547817689 388488347 /nfs/dbraw/zinc/48/83/47/388488347.db2.gz RKIRMBILLDYVEC-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCOC[C@H](C)NCc1c(CC)noc1C ZINC000340439352 388490943 /nfs/dbraw/zinc/49/09/43/388490943.db2.gz JDNMATMWJABHFT-VIFPVBQESA-N 0 1 226.320 2.060 20 0 BEADMN COCCC1CCN(Cc2ccnc(C)n2)CC1 ZINC000528578346 388548977 /nfs/dbraw/zinc/54/89/77/388548977.db2.gz VTVNLVHGQWIOCS-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCO[C@H]2C2CC2)c2nccn21 ZINC000345352487 388512281 /nfs/dbraw/zinc/51/22/81/388512281.db2.gz JNSNVKNAUVUZOW-IXOXFDKPSA-N 0 1 247.342 2.046 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCCCO1 ZINC000345348405 388512355 /nfs/dbraw/zinc/51/23/55/388512355.db2.gz FQWHHFHCACEHDN-RVMXOQNASA-N 0 1 249.358 2.436 20 0 BEADMN CCC[C@](C)(O)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345366065 388513030 /nfs/dbraw/zinc/51/30/30/388513030.db2.gz YTACMDXABMFXGY-WZRBSPASSA-N 0 1 237.347 2.030 20 0 BEADMN CO[C@](C)(CN[C@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000345362977 388513322 /nfs/dbraw/zinc/51/33/22/388513322.db2.gz VXLBXGORSPXALR-VHRBIJSZSA-N 0 1 249.358 2.294 20 0 BEADMN CO[C@](C)(CN[C@@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000345362978 388513783 /nfs/dbraw/zinc/51/37/83/388513783.db2.gz VXLBXGORSPXALR-ZKYQVNSYSA-N 0 1 249.358 2.294 20 0 BEADMN CC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000078873445 388515871 /nfs/dbraw/zinc/51/58/71/388515871.db2.gz GINMTEBJTDUHJO-SNVBAGLBSA-N 0 1 241.356 2.103 20 0 BEADMN CCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000078873445 388515874 /nfs/dbraw/zinc/51/58/74/388515874.db2.gz GINMTEBJTDUHJO-SNVBAGLBSA-N 0 1 241.356 2.103 20 0 BEADMN C/C(Cl)=C\CN1CCC[C@@H](n2cncn2)C1 ZINC000528376609 388517835 /nfs/dbraw/zinc/51/78/35/388517835.db2.gz FHJMCICSRCCVGP-LLMHMKPQSA-N 0 1 240.738 2.058 20 0 BEADMN Cn1cnnc1[C@@H]1CCCN1CC1CC(C)(C)C1 ZINC000528429527 388523314 /nfs/dbraw/zinc/52/33/14/388523314.db2.gz JUXBDUADTJBVGM-LBPRGKRZSA-N 0 1 248.374 2.388 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000516932116 388526345 /nfs/dbraw/zinc/52/63/45/388526345.db2.gz BWDWSYYKNKHBTO-NSHDSACASA-N 0 1 233.311 2.123 20 0 BEADMN COC[C@@H](NCc1ncccc1Cl)C(C)C ZINC000528443324 388527074 /nfs/dbraw/zinc/52/70/74/388527074.db2.gz XZXMMYINROAPHH-GFCCVEGCSA-N 0 1 242.750 2.496 20 0 BEADMN C/C(Cl)=C\CN(C)C[C@H]1CCCO1 ZINC000528449371 388528096 /nfs/dbraw/zinc/52/80/96/388528096.db2.gz LFAQBRWNTUVKGW-NAZIUFLLSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ncccc2Cl)C1 ZINC000528467253 388531447 /nfs/dbraw/zinc/53/14/47/388531447.db2.gz YWYFTKNTFYECBN-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1ncccc1Cl ZINC000528475954 388532836 /nfs/dbraw/zinc/53/28/36/388532836.db2.gz LSBKJXWTSWRABM-JOYOIKCWSA-N 0 1 240.734 2.392 20 0 BEADMN CCOC[C@H]1CCN(Cc2nc(C)cs2)C1 ZINC000088603266 388533279 /nfs/dbraw/zinc/53/32/79/388533279.db2.gz AYQMGOSRNISZNR-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000517030120 388533382 /nfs/dbraw/zinc/53/33/82/388533382.db2.gz NXCKBVFLUHZELA-AXFHLTTASA-N 0 1 213.321 2.075 20 0 BEADMN CCN(C/C=C(\C)Cl)[C@@H]1CCOC1 ZINC000528505386 388536690 /nfs/dbraw/zinc/53/66/90/388536690.db2.gz CACPAVISDLQUCH-WXLQGSQKSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1cc(CC(=O)NCC[C@@H]2CC=CCC2)[nH]n1 ZINC000529870649 388594479 /nfs/dbraw/zinc/59/44/79/388594479.db2.gz VVYZNTJDBKIWSA-GFCCVEGCSA-N 0 1 247.342 2.123 20 0 BEADMN CC/C=C/CCN1CCN(Cc2ccon2)CC1 ZINC000184580350 256846695 /nfs/dbraw/zinc/84/66/95/256846695.db2.gz FXWTWDRVKKZXKB-ONEGZZNKSA-N 0 1 249.358 2.149 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530164024 388617973 /nfs/dbraw/zinc/61/79/73/388617973.db2.gz BSZVLHNLYKVLAM-GXSJLCMTSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN(C)C ZINC000550456605 388608283 /nfs/dbraw/zinc/60/82/83/388608283.db2.gz GGWUSHGISIYMQU-AGIUHOORSA-N 0 1 240.391 2.125 20 0 BEADMN CC(C)C(C)(C)NC(=O)c1ccc2cncn2c1 ZINC000550685693 388613707 /nfs/dbraw/zinc/61/37/07/388613707.db2.gz SLJGXNVQTKBGPG-UHFFFAOYSA-N 0 1 245.326 2.499 20 0 BEADMN CC1(F)CCN(Cc2ccns2)CC1 ZINC000630073075 388614471 /nfs/dbraw/zinc/61/44/71/388614471.db2.gz QIRUNYLKLDOHBD-UHFFFAOYSA-N 0 1 214.309 2.467 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1C/C=C/Cl ZINC000530166204 388618352 /nfs/dbraw/zinc/61/83/52/388618352.db2.gz LZHXYGFNGPOULT-YEQXMLPJSA-N 0 1 241.674 2.016 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1C/C=C/Cl ZINC000530166204 388618353 /nfs/dbraw/zinc/61/83/53/388618353.db2.gz LZHXYGFNGPOULT-YEQXMLPJSA-N 0 1 241.674 2.016 20 0 BEADMN Cc1cc(C(=O)CN2C[C@@H]3[C@H](C2)C3(C)C)c(C)[nH]1 ZINC000357724114 388554026 /nfs/dbraw/zinc/55/40/26/388554026.db2.gz BIMRRKDATFQWCU-BETUJISGSA-N 0 1 246.354 2.402 20 0 BEADMN CCN(CC(=O)NCC1CC(C)(C)C1)C1CC1 ZINC000548711953 388554054 /nfs/dbraw/zinc/55/40/54/388554054.db2.gz YVIYRKRGDAKAKF-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN FCCN[C@@H](c1ccccn1)C1CCC1 ZINC000528657379 388555245 /nfs/dbraw/zinc/55/52/45/388555245.db2.gz IPLVUSCNVQTEFM-GFCCVEGCSA-N 0 1 208.280 2.482 20 0 BEADMN CCC1(C)CN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000359502128 388555582 /nfs/dbraw/zinc/55/55/82/388555582.db2.gz DUPLQGPTABNBIF-SECBINFHSA-N 0 1 225.254 2.032 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)N1[C@H](C)C[C@@H]1C ZINC000548752718 388556348 /nfs/dbraw/zinc/55/63/48/388556348.db2.gz CNYUJIJOZKHEEX-GRYCIOLGSA-N 0 1 238.375 2.307 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC[S@@](=O)c1ccccc1 ZINC000548754064 388557390 /nfs/dbraw/zinc/55/73/90/388557390.db2.gz NARJREOBRKBOQL-BFQNTYOBSA-N 0 1 237.368 2.277 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC[S@](=O)c1ccccc1 ZINC000548754066 388557641 /nfs/dbraw/zinc/55/76/41/388557641.db2.gz NARJREOBRKBOQL-OZVIIMIRSA-N 0 1 237.368 2.277 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N1[C@H](C)C[C@@H]1C ZINC000548754152 388557734 /nfs/dbraw/zinc/55/77/34/388557734.db2.gz DIQKAXGEAQWYCI-XQQFMLRXSA-N 0 1 238.375 2.260 20 0 BEADMN Cc1cnc([C@H](C)N2CCN(C)C(C)(C)C2)o1 ZINC000521062940 388560783 /nfs/dbraw/zinc/56/07/83/388560783.db2.gz DJHFGYBRTVGAHA-NSHDSACASA-N 0 1 237.347 2.070 20 0 BEADMN CC/C=C/CCN1CCO[C@H](COCC)C1 ZINC000528723428 388561541 /nfs/dbraw/zinc/56/15/41/388561541.db2.gz JYSXUKHMSALKDH-GFUIURDCSA-N 0 1 227.348 2.080 20 0 BEADMN CO[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000362977750 388562687 /nfs/dbraw/zinc/56/26/87/388562687.db2.gz UIMCAZJEMZMLPU-GRYCIOLGSA-N 0 1 237.347 2.150 20 0 BEADMN CCOC[C@@H]1CN(CCCC(C)C)CCO1 ZINC000528732307 388563310 /nfs/dbraw/zinc/56/33/10/388563310.db2.gz PBBDEHMBDLWCSQ-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@@H](F)C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000521257655 388566407 /nfs/dbraw/zinc/56/64/07/388566407.db2.gz NZEIYVGBDNDSQL-NXEZZACHSA-N 0 1 219.300 2.166 20 0 BEADMN CC[C@@](C)(O)CN[C@@H](C)c1ncccc1F ZINC000528827559 388576965 /nfs/dbraw/zinc/57/69/65/388576965.db2.gz WKTDVYAXOVCPRY-JOYOIKCWSA-N 0 1 226.295 2.032 20 0 BEADMN Cc1ccncc1CN1CC[C@H](OC(F)F)C1 ZINC000549414132 388580101 /nfs/dbraw/zinc/58/01/01/388580101.db2.gz JFNBWQDMLSRIQA-NSHDSACASA-N 0 1 242.269 2.204 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@@H]2CCCC[C@H]12 ZINC000521073496 256835584 /nfs/dbraw/zinc/83/55/84/256835584.db2.gz WQFKUHPEOKNAIE-NQBHXWOUSA-N 0 1 247.342 2.451 20 0 BEADMN Cc1cccc(CNCc2ccn(C)c2)n1 ZINC000085604175 388671423 /nfs/dbraw/zinc/67/14/23/388671423.db2.gz AJIYZMMCSSKLIM-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000522007333 388673667 /nfs/dbraw/zinc/67/36/67/388673667.db2.gz FBWRTZDDOZOZEZ-CYBMUJFWSA-N 0 1 249.285 2.047 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2nc(COC)no2)C1 ZINC000248447322 388680055 /nfs/dbraw/zinc/68/00/55/388680055.db2.gz HFJRHGHJPJLDNW-NXEZZACHSA-N 0 1 239.319 2.009 20 0 BEADMN CC[C@@H](C)CN(C)[C@H](C)c1nc(COC)no1 ZINC000248441266 388680273 /nfs/dbraw/zinc/68/02/73/388680273.db2.gz DNKAUORASMUTLL-NXEZZACHSA-N 0 1 241.335 2.255 20 0 BEADMN CCc1nnc(CN2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000248547742 388683151 /nfs/dbraw/zinc/68/31/51/388683151.db2.gz FGMNRDGZAGCJEZ-GHMZBOCLSA-N 0 1 234.347 2.132 20 0 BEADMN C[C@H](CF)NCc1cc(F)cc(F)c1 ZINC000288475098 388627230 /nfs/dbraw/zinc/62/72/30/388627230.db2.gz PISYNGNMVGQZFI-SSDOTTSWSA-N 0 1 203.207 2.412 20 0 BEADMN CCN(CC(=O)N1C[C@H](C)CC[C@H]1C)C1CC1 ZINC000246372451 388633375 /nfs/dbraw/zinc/63/33/75/388633375.db2.gz YSJYYKRVFGXIIT-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(C)[C@@H](C(=O)N(C)C1CC1)c1ccccc1 ZINC000057915053 388639394 /nfs/dbraw/zinc/63/93/94/388639394.db2.gz CCWFMTAUVLRBAH-CQSZACIVSA-N 0 1 246.354 2.300 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000246721338 388650041 /nfs/dbraw/zinc/65/00/41/388650041.db2.gz VAYHCRWHRCVKPO-OLZOCXBDSA-N 0 1 240.391 2.077 20 0 BEADMN CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246953170 388656348 /nfs/dbraw/zinc/65/63/48/388656348.db2.gz AUWXAXPOMJTUHQ-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246953123 388656495 /nfs/dbraw/zinc/65/64/95/388656495.db2.gz AUWXAXPOMJTUHQ-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)[C@@H]1CCCN1C[C@H](C)c1ccccc1 ZINC000247071218 388658781 /nfs/dbraw/zinc/65/87/81/388658781.db2.gz KTLCHDHJSQEXNH-JSGCOSHPSA-N 0 1 247.338 2.428 20 0 BEADMN CCC1(CNC(=O)c2ccc(F)cc2O)CC1 ZINC000124049312 388660053 /nfs/dbraw/zinc/66/00/53/388660053.db2.gz YOUVSCPAHNLJST-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN CC1(C)CN(CN2CCCC(C)(C)C2)C(=O)O1 ZINC000124154369 388660748 /nfs/dbraw/zinc/66/07/48/388660748.db2.gz UQKWSUQSWMEKIY-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cn(C(C)(C)C)nn1 ZINC000191442048 388663075 /nfs/dbraw/zinc/66/30/75/388663075.db2.gz UWHFNNIRYMAOFL-QWRGUYRKSA-N 0 1 236.363 2.406 20 0 BEADMN C[C@H](C(=O)N(C)C1CCCCC1)N1CC(C)C1 ZINC000552811517 388737617 /nfs/dbraw/zinc/73/76/17/388737617.db2.gz IMGFXVLTNGEQOQ-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CN(CCC(C)(C)C)C(=O)[C@H]1CCCCN1C ZINC000649027147 388739036 /nfs/dbraw/zinc/73/90/36/388739036.db2.gz VQYNVCLNGBUMKA-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128140416 388739366 /nfs/dbraw/zinc/73/93/66/388739366.db2.gz RQEFBUCIJLZOJQ-JTQLQIEISA-N 0 1 238.297 2.211 20 0 BEADMN COc1cc(CN[C@@H](C)CF)ccc1C ZINC000288512983 388757671 /nfs/dbraw/zinc/75/76/71/388757671.db2.gz TUKGBLVWSOMIEY-JTQLQIEISA-N 0 1 211.280 2.451 20 0 BEADMN COC[C@H]1CN(Cc2ccc(C)cc2)C[C@H](C)O1 ZINC000251636997 388750641 /nfs/dbraw/zinc/75/06/41/388750641.db2.gz HAPDKHZMKXAXMW-DZGCQCFKSA-N 0 1 249.354 2.231 20 0 BEADMN Cc1c(CN[C@@H](C)c2ccoc2)cnn1C ZINC000126296991 388694067 /nfs/dbraw/zinc/69/40/67/388694067.db2.gz LEDPYIDPQNJVRH-VIFPVBQESA-N 0 1 219.288 2.172 20 0 BEADMN CCN(CC(=O)N[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000248899494 388698321 /nfs/dbraw/zinc/69/83/21/388698321.db2.gz PNXAHVJMGBRSIF-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@H](CC)NC(=O)c1ccc2[nH]nnc2c1 ZINC000195148926 388698377 /nfs/dbraw/zinc/69/83/77/388698377.db2.gz LCQXLVKZHOGAGA-JTQLQIEISA-N 0 1 246.314 2.266 20 0 BEADMN CN(C)CC(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000649007110 388700287 /nfs/dbraw/zinc/70/02/87/388700287.db2.gz ZMAXBHVYWXGUGR-AWEZNQCLSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cccc(C2(NC(=O)CN(C)C)CCC2)c1 ZINC000649013707 388703840 /nfs/dbraw/zinc/70/38/40/388703840.db2.gz SWINVUFHZAFVPS-UHFFFAOYSA-N 0 1 246.354 2.052 20 0 BEADMN Cc1ccc(-c2nc(=O)c3sccc3[nH]2)cn1 ZINC000193544107 388707919 /nfs/dbraw/zinc/70/79/19/388707919.db2.gz OVUOKRJJUWVTCU-UHFFFAOYSA-N 0 1 243.291 2.355 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H]([C@H](C)O)C2)o1 ZINC000552437794 388708026 /nfs/dbraw/zinc/70/80/26/388708026.db2.gz VNUJCCFMEMHJNB-SDDRHHMPSA-N 0 1 238.331 2.137 20 0 BEADMN CC1(C)CCN1Cc1cccc2c1OCCO2 ZINC000538735787 388714589 /nfs/dbraw/zinc/71/45/89/388714589.db2.gz DCDNGQXFUUFKNN-UHFFFAOYSA-N 0 1 233.311 2.442 20 0 BEADMN CCc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)n[nH]1 ZINC000127095646 388715307 /nfs/dbraw/zinc/71/53/07/388715307.db2.gz WULCQDUFKRFLRY-SECBINFHSA-N 0 1 247.342 2.375 20 0 BEADMN CC1(C)CCN1Cc1cnc(N2CCCC2)nc1 ZINC000538738077 388716304 /nfs/dbraw/zinc/71/63/04/388716304.db2.gz WVLWUFYFIWRSMC-UHFFFAOYSA-N 0 1 246.358 2.061 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)[C@H]1CCCC[C@@H]1C ZINC000066415189 388717897 /nfs/dbraw/zinc/71/78/97/388717897.db2.gz OHOKNBYIGIAJOZ-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1cccc([C@H](C)N2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000249371351 388718234 /nfs/dbraw/zinc/71/82/34/388718234.db2.gz PBAHRAAMFWJGMD-KCQAQPDRSA-N 0 1 249.354 2.138 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cn1 ZINC000193977487 388720355 /nfs/dbraw/zinc/72/03/55/388720355.db2.gz REBZUHYNQNPSMK-WDEREUQCSA-N 0 1 237.372 2.309 20 0 BEADMN C=Cn1cc(CN2CCS[C@H](C)[C@@H]2C)cn1 ZINC000193977487 388720357 /nfs/dbraw/zinc/72/03/57/388720357.db2.gz REBZUHYNQNPSMK-WDEREUQCSA-N 0 1 237.372 2.309 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000066646623 388721220 /nfs/dbraw/zinc/72/12/20/388721220.db2.gz WEHRGBMZCFDAHF-VIFPVBQESA-N 0 1 231.299 2.433 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC[C@H]1CCCO1 ZINC000249437479 388721260 /nfs/dbraw/zinc/72/12/60/388721260.db2.gz SMGNMZOALYWRBL-CHWSQXEVSA-N 0 1 234.343 2.434 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000066646622 388721965 /nfs/dbraw/zinc/72/19/65/388721965.db2.gz WEHRGBMZCFDAHF-SECBINFHSA-N 0 1 231.299 2.433 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127390037 388722546 /nfs/dbraw/zinc/72/25/46/388722546.db2.gz WXMDLMIRAZMNCY-RKDXNWHRSA-N 0 1 240.372 2.317 20 0 BEADMN CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000194086231 388722780 /nfs/dbraw/zinc/72/27/80/388722780.db2.gz QEXNZOKEYUNHOG-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nc2c(n1CCC[C@H](C)O)CCCC2 ZINC000127385783 388723062 /nfs/dbraw/zinc/72/30/62/388723062.db2.gz YHRALCBOJZIBIN-JTQLQIEISA-N 0 1 222.332 2.231 20 0 BEADMN CC(C)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127555306 388727755 /nfs/dbraw/zinc/72/77/55/388727755.db2.gz WBJJVFDTRQLLOJ-LLVKDONJSA-N 0 1 242.363 2.336 20 0 BEADMN Cc1nc(CCNCc2cscn2)cs1 ZINC000226749665 388728564 /nfs/dbraw/zinc/72/85/64/388728564.db2.gz BGAMKIPVZUEVQQ-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCCCC1 ZINC000067226888 388730779 /nfs/dbraw/zinc/73/07/79/388730779.db2.gz TZUYKGIBCHCQIM-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCC(=O)[O-] ZINC000263353830 135348933 /nfs/dbraw/zinc/34/89/33/135348933.db2.gz QVEBKFTXOLMWST-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1oncc1CN1CC[C@@H](OCC(C)C)C1 ZINC000128902542 388801632 /nfs/dbraw/zinc/80/16/32/388801632.db2.gz CPRUVYXYSTYZFD-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2nccn2C)o1 ZINC000540407244 388806205 /nfs/dbraw/zinc/80/62/05/388806205.db2.gz OTMFXISEHUJDDP-LLVKDONJSA-N 0 1 233.315 2.215 20 0 BEADMN COCCN(Cc1ccc(Cl)cn1)C1CC1 ZINC000554307614 388809421 /nfs/dbraw/zinc/80/94/21/388809421.db2.gz TZLSSRVNOCEXGZ-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2c1cccc2C ZINC000194520420 388809567 /nfs/dbraw/zinc/80/95/67/388809567.db2.gz DYTQKLVSNRFTND-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@@H]1CC2CCC1CC2 ZINC000554357243 388809828 /nfs/dbraw/zinc/80/98/28/388809828.db2.gz KWSNJTJTDXCWPI-GCZXYKMCSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H]1C[C@H](NCc2ncccn2)C[C@@H](C)C1 ZINC000252189000 388762268 /nfs/dbraw/zinc/76/22/68/388762268.db2.gz URZCUUZALJZNGP-GDNZZTSVSA-N 0 1 219.332 2.391 20 0 BEADMN C[C@@H](CN[C@H](C)c1cscn1)C[C@H](C)O ZINC000252787618 388783226 /nfs/dbraw/zinc/78/32/26/388783226.db2.gz CCIDWKYICIATOI-KXUCPTDWSA-N 0 1 228.361 2.201 20 0 BEADMN CCn1ncnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000253355264 388814944 /nfs/dbraw/zinc/81/49/44/388814944.db2.gz UNKHEEPRKRVMGC-VXGBXAGGSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000230361187 388824389 /nfs/dbraw/zinc/82/43/89/388824389.db2.gz YRDDFYWQMJHBJL-DGCLKSJQSA-N 0 1 223.316 2.282 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1csc(C)n1 ZINC000230639777 388827600 /nfs/dbraw/zinc/82/76/00/388827600.db2.gz RHZIWDCDRGGQDR-JGVFFNPUSA-N 0 1 214.334 2.137 20 0 BEADMN CC[C@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000554853741 388833059 /nfs/dbraw/zinc/83/30/59/388833059.db2.gz BZDYHAKEFFCQJY-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000554853741 388833065 /nfs/dbraw/zinc/83/30/65/388833065.db2.gz BZDYHAKEFFCQJY-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN COCCN1CCc2cccc(F)c2[C@H]1C ZINC000523451654 388840103 /nfs/dbraw/zinc/84/01/03/388840103.db2.gz MYJCWAGPBHFUJR-SNVBAGLBSA-N 0 1 223.291 2.391 20 0 BEADMN CC[C@H]1C[N@@H+](C)CCN1Cc1cccn1CC ZINC000556166002 388869703 /nfs/dbraw/zinc/86/97/03/388869703.db2.gz VDKQUIFZHFVZOH-ZDUSSCGKSA-N 0 1 235.375 2.034 20 0 BEADMN CCc1nc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc(C)[nH+]1 ZINC000302449136 388847993 /nfs/dbraw/zinc/84/79/93/388847993.db2.gz CGQSAFPWHOCNCP-ZJUUUORDSA-N 0 1 249.314 2.013 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CCC1 ZINC000565252672 388932288 /nfs/dbraw/zinc/93/22/88/388932288.db2.gz DBWIJZQJRGYNSK-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN CC[C@H](F)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000565672684 388962037 /nfs/dbraw/zinc/96/20/37/388962037.db2.gz XYQMDDXMRVDJQI-BDAKNGLRSA-N 0 1 217.284 2.062 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000565599894 388957348 /nfs/dbraw/zinc/95/73/48/388957348.db2.gz DYRWUXKDEIWYAQ-ZJRFNNFUSA-N 0 1 211.305 2.138 20 0 BEADMN CCc1ccccc1CC[N@H+](CC)CC(=O)[O-] ZINC000565838586 388972528 /nfs/dbraw/zinc/97/25/28/388972528.db2.gz POEAQRFGNBFSCZ-UHFFFAOYSA-N 0 1 235.327 2.198 20 0 BEADMN CCN(CC(=O)NCC1(C(C)C)CC1)C1CC1 ZINC000153493197 388979472 /nfs/dbraw/zinc/97/94/72/388979472.db2.gz PAZLWMSKDHWJDW-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(Cc2nnc(C3CC3)o2)[C@@H](C)[C@H]1C ZINC000565941572 388980366 /nfs/dbraw/zinc/98/03/66/388980366.db2.gz UBGAPRTVQVZDAI-UTLUCORTSA-N 0 1 235.331 2.423 20 0 BEADMN c1nc(CN[C@H]2CCc3ccccc3C2)co1 ZINC000272144346 389030079 /nfs/dbraw/zinc/03/00/79/389030079.db2.gz NBLNGBSZBUMIHX-ZDUSSCGKSA-N 0 1 228.295 2.322 20 0 BEADMN CC[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000270846039 389016180 /nfs/dbraw/zinc/01/61/80/389016180.db2.gz FZEFQFIXBRDJBF-GWCFXTLKSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@]1(NCc2nccs2)CCO[C@@H]1C1CC1 ZINC000273018630 389036753 /nfs/dbraw/zinc/03/67/53/389036753.db2.gz DDNZEXGASGOFRP-NEPJUHHUSA-N 0 1 238.356 2.190 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CCCC2(CCC2)C1 ZINC000348177723 533378172 /nfs/dbraw/zinc/37/81/72/533378172.db2.gz HCXJMVHEXVCAPR-UHFFFAOYSA-N 0 1 246.358 2.448 20 0 BEADMN Cc1nc(CN2CCCc3cccc(F)c32)n[nH]1 ZINC000292371233 132218791 /nfs/dbraw/zinc/21/87/91/132218791.db2.gz GODQQEGUJJUPFT-UHFFFAOYSA-N 0 1 246.289 2.205 20 0 BEADMN CC(C)=CCN1CCN(c2cnccc2C)CC1 ZINC000340596078 132222229 /nfs/dbraw/zinc/22/22/29/132222229.db2.gz RIBGWVSFDOCFDW-UHFFFAOYSA-N 0 1 245.370 2.478 20 0 BEADMN CC[C@@H]1CCCCN1c1ncnc2[nH]cnc21 ZINC000298452622 132222406 /nfs/dbraw/zinc/22/24/06/132222406.db2.gz VEPKMLOUVTTZMK-SECBINFHSA-N 0 1 231.303 2.122 20 0 BEADMN CCN1CCN(c2ccnc3ccsc32)CC1 ZINC000301377434 132253135 /nfs/dbraw/zinc/25/31/35/132253135.db2.gz WRGAJNVZIYZDFO-UHFFFAOYSA-N 0 1 247.367 2.438 20 0 BEADMN Cc1nccc(N2CC[C@@H](O)[C@H](C)C2)c1Cl ZINC000309361108 132389675 /nfs/dbraw/zinc/38/96/75/132389675.db2.gz OCBDCHRXZWQHCR-LDYMZIIASA-N 0 1 240.734 2.251 20 0 BEADMN CC(C)=CCN1CCN(c2ccccn2)CC1 ZINC000066863213 132390416 /nfs/dbraw/zinc/39/04/16/132390416.db2.gz YPYUCSOOHJAHIU-UHFFFAOYSA-N 0 1 231.343 2.170 20 0 BEADMN Cc1ccc(CNCc2cnccc2C)nc1 ZINC000162684228 133526279 /nfs/dbraw/zinc/52/62/79/133526279.db2.gz VMEQZPSCFYPJQB-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O[C@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225346507 133531811 /nfs/dbraw/zinc/53/18/11/133531811.db2.gz QTQOLJKMAZGQLT-YUMQZZPRSA-N 0 1 246.763 2.190 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000335443300 133847222 /nfs/dbraw/zinc/84/72/22/133847222.db2.gz NDEXVQFESADMFH-CABZTGNLSA-N 0 1 237.299 2.131 20 0 BEADMN CCN(Cc1ccon1)[C@H]1CCOC(C)(C)C1 ZINC000351948310 134015657 /nfs/dbraw/zinc/01/56/57/134015657.db2.gz CZFUIJRTRZRMOD-LBPRGKRZSA-N 0 1 238.331 2.454 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351956960 134016810 /nfs/dbraw/zinc/01/68/10/134016810.db2.gz DOEMALRJFDUFHX-JRKPZEMJSA-N 0 1 241.281 2.338 20 0 BEADMN O=C(NC1CCCCC1)[C@H]1CCCc2[nH]cnc21 ZINC000335940379 134017131 /nfs/dbraw/zinc/01/71/31/134017131.db2.gz BGYQHRDDAMZZIO-NSHDSACASA-N 0 1 247.342 2.279 20 0 BEADMN O=C(NC1CCCCC1)[C@@H]1CCCc2[nH]cnc21 ZINC000335940378 134017213 /nfs/dbraw/zinc/01/72/13/134017213.db2.gz BGYQHRDDAMZZIO-LLVKDONJSA-N 0 1 247.342 2.279 20 0 BEADMN O=C(c1ccc2cncn2c1)N1CCCCCC1 ZINC000335973239 134030527 /nfs/dbraw/zinc/03/05/27/134030527.db2.gz HWTZBTFMSCHBPK-UHFFFAOYSA-N 0 1 243.310 2.351 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]1CF ZINC000335977690 134031978 /nfs/dbraw/zinc/03/19/78/134031978.db2.gz DTWYSQMLHHJZJC-JTQLQIEISA-N 0 1 247.273 2.137 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352025880 134042554 /nfs/dbraw/zinc/04/25/54/134042554.db2.gz MANKEQFETPPPCN-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cnn(C)c1CN1CCC(C(F)F)CC1 ZINC000335999630 134044224 /nfs/dbraw/zinc/04/42/24/134044224.db2.gz RZUURJAQBODKQD-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352029466 134044862 /nfs/dbraw/zinc/04/48/62/134044862.db2.gz ROKAYRATCBHCCO-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2c1CCO2 ZINC000336008051 134049726 /nfs/dbraw/zinc/04/97/26/134049726.db2.gz LBQRYSSTTXVZBS-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Cc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)nc1 ZINC000336014572 134052438 /nfs/dbraw/zinc/05/24/38/134052438.db2.gz SKOJOAVYMYEEJF-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN c1cncc(CNc2cc3c(cn2)CCCC3)c1 ZINC000336019222 134053889 /nfs/dbraw/zinc/05/38/89/134053889.db2.gz IXKYAXGCUTUMDK-UHFFFAOYSA-N 0 1 239.322 2.389 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)c1ccc2cncn2c1 ZINC000336040730 134062033 /nfs/dbraw/zinc/06/20/33/134062033.db2.gz MXPAZGNNFUERDC-GFCCVEGCSA-N 0 1 241.294 2.173 20 0 BEADMN C[C@H]1C[C@@H](O)CN1c1ccnc2cc(F)ccc21 ZINC000336057156 134066739 /nfs/dbraw/zinc/06/67/39/134066739.db2.gz DMQRTYLPKBNOQI-GXSJLCMTSA-N 0 1 246.285 2.333 20 0 BEADMN C[C@@H]1C[C@H](O)CN1c1ccnc2cc(F)ccc21 ZINC000336057157 134067004 /nfs/dbraw/zinc/06/70/04/134067004.db2.gz DMQRTYLPKBNOQI-KOLCDFICSA-N 0 1 246.285 2.333 20 0 BEADMN C[C@@H]1CN(CCC2CCCC2)C[C@@H](C)S1=O ZINC000336087143 134077127 /nfs/dbraw/zinc/07/71/27/134077127.db2.gz WCXIIKIFAOSTGJ-VXGBXAGGSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H]1CN(Cc2ccsc2Cl)C[C@H]1CO ZINC000336088822 134077369 /nfs/dbraw/zinc/07/73/69/134077369.db2.gz DZDUYCBSLKXWCE-SCZZXKLOSA-N 0 1 245.775 2.462 20 0 BEADMN Nc1cc(C[N@H+]2CC[C@H]2c2ccccc2)ccn1 ZINC000336093030 134079471 /nfs/dbraw/zinc/07/94/71/134079471.db2.gz VOGRWUVCVYHJNJ-AWEZNQCLSA-N 0 1 239.322 2.441 20 0 BEADMN Nc1cc(CN2CC[C@H]2c2ccccc2)ccn1 ZINC000336093030 134079472 /nfs/dbraw/zinc/07/94/72/134079472.db2.gz VOGRWUVCVYHJNJ-AWEZNQCLSA-N 0 1 239.322 2.441 20 0 BEADMN Cc1nnc(CN2CCCC(C)(C)CC2)[nH]1 ZINC000336110378 134086521 /nfs/dbraw/zinc/08/65/21/134086521.db2.gz PKBRFLALHZMREN-UHFFFAOYSA-N 0 1 222.336 2.125 20 0 BEADMN CN(C(=O)[C@@H]1CCCc2[nH]ncc21)[C@H]1CC1(C)C ZINC000336111310 134086694 /nfs/dbraw/zinc/08/66/94/134086694.db2.gz WYSIDJDEUQJANO-SKDRFNHKSA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cnc2ccccn12 ZINC000336122269 134091678 /nfs/dbraw/zinc/09/16/78/134091678.db2.gz NWTSSTPKHASNED-NSHDSACASA-N 0 1 215.300 2.319 20 0 BEADMN CC[C@H]1CCN1Cc1cnc2ccccn12 ZINC000336122269 134091679 /nfs/dbraw/zinc/09/16/79/134091679.db2.gz NWTSSTPKHASNED-NSHDSACASA-N 0 1 215.300 2.319 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000336123829 134091945 /nfs/dbraw/zinc/09/19/45/134091945.db2.gz VPDZXKSTZFJNKM-VHSXEESVSA-N 0 1 219.275 2.143 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@H]3C2)n[nH]1 ZINC000336137004 134096179 /nfs/dbraw/zinc/09/61/79/134096179.db2.gz XDJDFEPFFJZFLJ-QWRGUYRKSA-N 0 1 248.374 2.334 20 0 BEADMN CC1=CCCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000336148087 134102994 /nfs/dbraw/zinc/10/29/94/134102994.db2.gz XYJLSGHTSPWUAD-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CC1=C[C@@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000336152184 134104269 /nfs/dbraw/zinc/10/42/69/134104269.db2.gz DCIKQPRCROHRPI-SECBINFHSA-N 0 1 245.326 2.325 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000336164260 134112321 /nfs/dbraw/zinc/11/23/21/134112321.db2.gz MCXBJQRDJORKMN-QWRGUYRKSA-N 0 1 219.332 2.263 20 0 BEADMN CC[C@H](F)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000336168026 134113800 /nfs/dbraw/zinc/11/38/00/134113800.db2.gz GSIYNXZBOFPNMB-AAEUAGOBSA-N 0 1 245.338 2.004 20 0 BEADMN CC[C@@H](F)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000336168029 134113839 /nfs/dbraw/zinc/11/38/39/134113839.db2.gz GSIYNXZBOFPNMB-YPMHNXCESA-N 0 1 245.338 2.004 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1C[C@H]1CCCOC1 ZINC000336175574 134114356 /nfs/dbraw/zinc/11/43/56/134114356.db2.gz IISNWSDWGQPCCY-CHWSQXEVSA-N 0 1 234.343 2.291 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@H]1CCCOC1 ZINC000336175574 134114357 /nfs/dbraw/zinc/11/43/57/134114357.db2.gz IISNWSDWGQPCCY-CHWSQXEVSA-N 0 1 234.343 2.291 20 0 BEADMN CN(Cc1cccc(Cl)c1)C(=O)c1cnc[nH]1 ZINC000336177380 134117081 /nfs/dbraw/zinc/11/70/81/134117081.db2.gz MHYWCAQXWLYZOG-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN C[C@@H]1N(Cc2ccon2)CCC12CCOCC2 ZINC000336180429 134119406 /nfs/dbraw/zinc/11/94/06/134119406.db2.gz MKAWBWRLXKPCJS-NSHDSACASA-N 0 1 236.315 2.066 20 0 BEADMN CNC(=O)[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC000336190498 134123215 /nfs/dbraw/zinc/12/32/15/134123215.db2.gz MYFGWEMBEWJIKM-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1C=CCCC1 ZINC000336208499 134133026 /nfs/dbraw/zinc/13/30/26/134133026.db2.gz OBXNHPPQHWPASD-TZMCWYRMSA-N 0 1 244.338 2.220 20 0 BEADMN Cc1ccc(C)c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000336208645 134133499 /nfs/dbraw/zinc/13/34/99/134133499.db2.gz LOQOJKPJTCCOPD-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN OC[C@H]1C[C@H](F)CN1Cc1cccc2ccoc21 ZINC000336213372 134135910 /nfs/dbraw/zinc/13/59/10/134135910.db2.gz PAYQNNSTACMIQA-QWHCGFSZSA-N 0 1 249.285 2.338 20 0 BEADMN COc1ccccc1[C@H](C)N[C@H](C)C[NH+](C)C ZINC000168753099 134247720 /nfs/dbraw/zinc/24/77/20/134247720.db2.gz LMRLSSFOVFPGBA-NEPJUHHUSA-N 0 1 236.359 2.296 20 0 BEADMN C[C@@H](NCc1cc[nH]n1)[C@H]1COc2ccccc21 ZINC000169170869 134249735 /nfs/dbraw/zinc/24/97/35/134249735.db2.gz PWSWMOVKRFJDGN-ZWNOBZJWSA-N 0 1 243.310 2.064 20 0 BEADMN COC[C@@H]1CN(Cc2cc(C)ccc2C)CCO1 ZINC000172887582 134270839 /nfs/dbraw/zinc/27/08/39/134270839.db2.gz HRGDYXSGYSUAGV-HNNXBMFYSA-N 0 1 249.354 2.151 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccncc2)C1 ZINC000174008716 134280605 /nfs/dbraw/zinc/28/06/05/134280605.db2.gz ZNFCUVSKLWOTQX-VXGBXAGGSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@@H](Nc1nc2ccccc2o1)c1nnc[nH]1 ZINC000219648232 134288745 /nfs/dbraw/zinc/28/87/45/134288745.db2.gz UWLRTTHSGZIQID-SSDOTTSWSA-N 0 1 229.243 2.119 20 0 BEADMN C[C@H](Nc1nc2ccccc2o1)c1nnc[nH]1 ZINC000219648321 134288755 /nfs/dbraw/zinc/28/87/55/134288755.db2.gz UWLRTTHSGZIQID-ZETCQYMHSA-N 0 1 229.243 2.119 20 0 BEADMN Cc1c(Cl)cccc1C(=O)NCc1cnc[nH]1 ZINC000219835620 134292294 /nfs/dbraw/zinc/29/22/94/134292294.db2.gz DFPKVPJZCOAXPT-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCN(C)c1ccccc1 ZINC000177251221 134296822 /nfs/dbraw/zinc/29/68/22/134296822.db2.gz DRIGFCVQYNIHLH-KGLIPLIRSA-N 0 1 248.370 2.232 20 0 BEADMN CC(C)CSCCC[N@H+]1CCO[C@@H](C)C1 ZINC000178569526 134311331 /nfs/dbraw/zinc/31/13/31/134311331.db2.gz MNDPSSYCONBVDE-LBPRGKRZSA-N 0 1 231.405 2.486 20 0 BEADMN CC(C)CSCCCN1CCO[C@@H](C)C1 ZINC000178569526 134311332 /nfs/dbraw/zinc/31/13/32/134311332.db2.gz MNDPSSYCONBVDE-LBPRGKRZSA-N 0 1 231.405 2.486 20 0 BEADMN C[C@@H]1CCC[C@H](CC[N@@H+](C)CC(=O)[O-])C1 ZINC000178910261 134313464 /nfs/dbraw/zinc/31/34/64/134313464.db2.gz YKYQGCRYJOQGOE-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN CN(Cc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000180404831 134326957 /nfs/dbraw/zinc/32/69/57/134326957.db2.gz HCLUSMZSWVBOMY-UHFFFAOYSA-N 0 1 228.299 2.319 20 0 BEADMN CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224315651 134345920 /nfs/dbraw/zinc/34/59/20/134345920.db2.gz HUTBZBBLRVPYJL-TZMCWYRMSA-N 0 1 247.338 2.428 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000224315651 134345921 /nfs/dbraw/zinc/34/59/21/134345921.db2.gz HUTBZBBLRVPYJL-TZMCWYRMSA-N 0 1 247.338 2.428 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000183173393 134348952 /nfs/dbraw/zinc/34/89/52/134348952.db2.gz YLJIWDZMQCFKSF-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](NCc1ncc(Cl)s1)[C@H]1CCCO1 ZINC000225312549 134354298 /nfs/dbraw/zinc/35/42/98/134354298.db2.gz LMELYFBMVQJGEJ-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN O[C@@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000225346539 134354755 /nfs/dbraw/zinc/35/47/55/134354755.db2.gz QTQOLJKMAZGQLT-HTQZYQBOSA-N 0 1 246.763 2.190 20 0 BEADMN CCCC[C@H](CC)CN(C)Cc1nnc[nH]1 ZINC000183631405 134355274 /nfs/dbraw/zinc/35/52/74/134355274.db2.gz HYMDUCQHJNCXNI-NSHDSACASA-N 0 1 224.352 2.453 20 0 BEADMN CC(C)c1cc(NC[C@@H]2CCC[N@H+]2C)ncn1 ZINC000226386132 134364831 /nfs/dbraw/zinc/36/48/31/134364831.db2.gz CEFFMOXIJQTHAH-NSHDSACASA-N 0 1 234.347 2.106 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOC(C)(C)C2)O1 ZINC000184650986 134367391 /nfs/dbraw/zinc/36/73/91/134367391.db2.gz ZXDGDTYUCBTKPS-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc[nH]n1 ZINC000185197720 134372759 /nfs/dbraw/zinc/37/27/59/134372759.db2.gz DMLCWVVDWDAWLE-QWHCGFSZSA-N 0 1 237.347 2.093 20 0 BEADMN C[C@@H](O)CCCNCc1ncc(Cl)s1 ZINC000227957604 134395591 /nfs/dbraw/zinc/39/55/91/134395591.db2.gz LOHGFFLQTMNZEE-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN CCCCCC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185935915 134397000 /nfs/dbraw/zinc/39/70/00/134397000.db2.gz AFUTZPDFVMZMNO-CYBMUJFWSA-N 0 1 226.364 2.297 20 0 BEADMN CC[C@@H](O)CNCc1csc(C(C)(C)C)n1 ZINC000229970939 134471007 /nfs/dbraw/zinc/47/10/07/134471007.db2.gz AXDGDYSLEOEUBX-SNVBAGLBSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1cccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000235326638 134592112 /nfs/dbraw/zinc/59/21/12/134592112.db2.gz ANQBATWQARNZHN-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN Clc1cnc(CNCC[C@@H]2CCOC2)s1 ZINC000225382683 134713977 /nfs/dbraw/zinc/71/39/77/134713977.db2.gz HPSFFVACRUTZLI-MRVPVSSYSA-N 0 1 246.763 2.313 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000248390445 135001290 /nfs/dbraw/zinc/00/12/90/135001290.db2.gz IDQCDCDOSFKYSJ-UPJWGTAASA-N 0 1 240.391 2.220 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248551082 135003453 /nfs/dbraw/zinc/00/34/53/135003453.db2.gz KMWWZZKSWMLCGQ-IAZYJMLFSA-N 0 1 249.358 2.407 20 0 BEADMN CC[C@@H](N[C@H]1CCCOC1)c1nccs1 ZINC000070717449 135009453 /nfs/dbraw/zinc/00/94/53/135009453.db2.gz KALGDCMCCBOGNB-VHSXEESVSA-N 0 1 226.345 2.363 20 0 BEADMN Cc1ccnc(NC[C@H]2CCC[C@H](O)C2)c1 ZINC000230148200 135019680 /nfs/dbraw/zinc/01/96/80/135019680.db2.gz VVLDKGNWTJMMKT-RYUDHWBXSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000248747012 135020434 /nfs/dbraw/zinc/02/04/34/135020434.db2.gz DXKXTJVEEGMWHJ-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN CCCN(C[C@@H](C)OC)[C@H](CC)C(=O)OCC ZINC000248807448 135021760 /nfs/dbraw/zinc/02/17/60/135021760.db2.gz RUDDDBOPZFYSHX-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN c1cnc(CN2CCC[C@H]3CCC[C@H]32)nc1 ZINC000248836140 135022440 /nfs/dbraw/zinc/02/24/40/135022440.db2.gz JWBYDEDWHPHJGH-VXGBXAGGSA-N 0 1 217.316 2.241 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)C[C@@H](C)O1 ZINC000248894541 135024883 /nfs/dbraw/zinc/02/48/83/135024883.db2.gz JGOGWBDQCDOMJU-LOWDOPEQSA-N 0 1 227.348 2.053 20 0 BEADMN CCc1nnc(CN2CC[C@H](C)C[C@@H](C)C2)[nH]1 ZINC000249367383 135037430 /nfs/dbraw/zinc/03/74/30/135037430.db2.gz VOFCUFXRBUUVOB-WDEREUQCSA-N 0 1 236.363 2.235 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](C)[C@H]2CC)n1 ZINC000249440097 135039308 /nfs/dbraw/zinc/03/93/08/135039308.db2.gz LVPYMOQKYKJYMJ-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](C)[C@H]2CC)n1 ZINC000249440097 135039311 /nfs/dbraw/zinc/03/93/11/135039311.db2.gz LVPYMOQKYKJYMJ-CMPLNLGQSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](C)C1 ZINC000251745141 135076647 /nfs/dbraw/zinc/07/66/47/135076647.db2.gz RUDIPSKEEWHZES-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@H]1C[C@H](NCc2csnn2)C[C@@H](C)C1 ZINC000251766530 135077047 /nfs/dbraw/zinc/07/70/47/135077047.db2.gz DVNUILHZZVOMGC-MYJAWHEDSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1noc(CN[C@H]2CCCCC2(C)C)n1 ZINC000086844184 135098903 /nfs/dbraw/zinc/09/89/03/135098903.db2.gz CFNWKWIZUGMMBT-JTQLQIEISA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cscn2)CS1 ZINC000086936018 135103225 /nfs/dbraw/zinc/10/32/25/135103225.db2.gz WULWUXYDFWAEQB-HTQZYQBOSA-N 0 1 214.359 2.127 20 0 BEADMN O=C([O-])CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000261586716 135110427 /nfs/dbraw/zinc/11/04/27/135110427.db2.gz RJKNGUHRDZDTOL-UHFFFAOYSA-N 0 1 239.237 2.126 20 0 BEADMN COC(=O)CN(C)C1CCC(C)(C)CC1 ZINC000087287517 135121929 /nfs/dbraw/zinc/12/19/29/135121929.db2.gz GAFGXVUDNDKXIE-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN C(=C\c1ccccc1)\CNCc1ncc[nH]1 ZINC000255511688 135129947 /nfs/dbraw/zinc/12/99/47/135129947.db2.gz AVJJKDFPIAKYIX-DAXSKMNVSA-N 0 1 213.284 2.213 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000259165789 135137606 /nfs/dbraw/zinc/13/76/06/135137606.db2.gz HPXPUIPULCRPPE-ITGUQSILSA-N 0 1 237.730 2.010 20 0 BEADMN C[C@@H](N)c1nc(C2CCOCC2)cs1 ZINC000259280285 135142637 /nfs/dbraw/zinc/14/26/37/135142637.db2.gz PHWDAKQIQHAPIV-SSDOTTSWSA-N 0 1 212.318 2.057 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3ccccc3Cl)C[C@H]12 ZINC000259291636 135142682 /nfs/dbraw/zinc/14/26/82/135142682.db2.gz MVBHQYUCNFHIEO-GDNZZTSVSA-N 0 1 237.730 2.010 20 0 BEADMN Cc1csc(CN(C)[C@H](CO)C(C)(C)C)n1 ZINC000269683100 135166185 /nfs/dbraw/zinc/16/61/85/135166185.db2.gz UMWQBHWYCRLIFA-SNVBAGLBSA-N 0 1 242.388 2.290 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000261537084 135172955 /nfs/dbraw/zinc/17/29/55/135172955.db2.gz UUQSXJVPRVZWLV-QMMMGPOBSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000261537084 135172957 /nfs/dbraw/zinc/17/29/57/135172957.db2.gz UUQSXJVPRVZWLV-QMMMGPOBSA-N 0 1 245.731 2.451 20 0 BEADMN CCC(C)(C)c1nc(C2(N)CCC2)no1 ZINC000261539762 135178875 /nfs/dbraw/zinc/17/88/75/135178875.db2.gz DCIVOYTYWNWBJS-UHFFFAOYSA-N 0 1 209.293 2.095 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H](C)CSC ZINC000297581179 135196403 /nfs/dbraw/zinc/19/64/03/135196403.db2.gz HDLIMUIAYKGZOJ-VHSXEESVSA-N 0 1 227.377 2.305 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)CCC2CC2)cc1 ZINC000261558247 135198446 /nfs/dbraw/zinc/19/84/46/135198446.db2.gz DCDWTJHRBSKRGJ-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN CC(C)C1CCC(C[N@@H+](C)CC(=O)[O-])CC1 ZINC000261582006 135222725 /nfs/dbraw/zinc/22/27/25/135222725.db2.gz NXWISYDNIZENEQ-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN NC1(c2noc([C@@H]3Cc4ccccc43)n2)CCC1 ZINC000261619022 135244203 /nfs/dbraw/zinc/24/42/03/135244203.db2.gz BQJQQRBKYIPCGY-LLVKDONJSA-N 0 1 241.294 2.096 20 0 BEADMN NC1(c2noc([C@H]3Cc4ccccc43)n2)CCC1 ZINC000261619024 135244207 /nfs/dbraw/zinc/24/42/07/135244207.db2.gz BQJQQRBKYIPCGY-NSHDSACASA-N 0 1 241.294 2.096 20 0 BEADMN NC1(c2noc(-c3ccccc3F)n2)CCC1 ZINC000261701689 135246894 /nfs/dbraw/zinc/24/68/94/135246894.db2.gz IBPKOZROCSMOAQ-UHFFFAOYSA-N 0 1 233.246 2.214 20 0 BEADMN COCc1nc(CN[C@H](C)C2CC2)cs1 ZINC000164415310 135247741 /nfs/dbraw/zinc/24/77/41/135247741.db2.gz OBJYFSKQDMZHTA-MRVPVSSYSA-N 0 1 226.345 2.178 20 0 BEADMN CCCSCc1nc(C2(N)CCCC2)no1 ZINC000261752948 135249699 /nfs/dbraw/zinc/24/96/99/135249699.db2.gz LWUJRHHBEGCNKG-UHFFFAOYSA-N 0 1 241.360 2.441 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)s1 ZINC000261785684 135252593 /nfs/dbraw/zinc/25/25/93/135252593.db2.gz OCYUDXSVQXXXCQ-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN NC1(c2noc(-c3cccc(F)c3)n2)CCC1 ZINC000261822526 135255404 /nfs/dbraw/zinc/25/54/04/135255404.db2.gz QQWDQFAZGNZIHH-UHFFFAOYSA-N 0 1 233.246 2.214 20 0 BEADMN COc1cc([C@H](C)NCc2cncs2)ccn1 ZINC000342298230 135257406 /nfs/dbraw/zinc/25/74/06/135257406.db2.gz ROBYUKFHBHDWJE-VIFPVBQESA-N 0 1 249.339 2.398 20 0 BEADMN COC(=O)[C@@H](C)N1CC(C)(C)CC(C)(C)C1 ZINC000342341827 135265126 /nfs/dbraw/zinc/26/51/26/135265126.db2.gz UQCFUEFAMOHSFF-SNVBAGLBSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)N2CCNC[C@H]2C)CC1 ZINC000262179369 135283804 /nfs/dbraw/zinc/28/38/04/135283804.db2.gz ILTVERYMEMRKAX-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1C[C@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000262245158 135287030 /nfs/dbraw/zinc/28/70/30/135287030.db2.gz ORFSBXMPWAGUPX-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)N2CCN[C@@H](C)C2)C1 ZINC000262604084 135307931 /nfs/dbraw/zinc/30/79/31/135307931.db2.gz RJEQVFQBZHBRBH-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@H](C)C2)n1C ZINC000342793619 135319276 /nfs/dbraw/zinc/31/92/76/135319276.db2.gz RCQQQROFHKGYBD-GHMZBOCLSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC[C@@H]2C)n1C ZINC000342795031 135319845 /nfs/dbraw/zinc/31/98/45/135319845.db2.gz VPXWDRQAILTELV-QWRGUYRKSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CN(C)C2CCCCC2)n1C ZINC000342798413 135320472 /nfs/dbraw/zinc/32/04/72/135320472.db2.gz JELFGJALKIEBLS-UHFFFAOYSA-N 0 1 221.348 2.493 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@H](C)C2)n1C ZINC000342799413 135320835 /nfs/dbraw/zinc/32/08/35/135320835.db2.gz NIEVHJQTGAGBRR-PHIMTYICSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1ccc(C2CCN([C@H](C)C(N)=O)CC2)cn1 ZINC000334168478 135324466 /nfs/dbraw/zinc/32/44/66/135324466.db2.gz AVOZCFXCRFEULZ-LLVKDONJSA-N 0 1 247.342 2.493 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(C)(C)C)C1 ZINC000263061137 135329872 /nfs/dbraw/zinc/32/98/72/135329872.db2.gz MVWJBFHQIXTTCL-NXEZZACHSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 ZINC000334226340 135330678 /nfs/dbraw/zinc/33/06/78/135330678.db2.gz FHVHUIAVVONRNR-GXFFZTMASA-N 0 1 233.315 2.062 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000263113070 135333724 /nfs/dbraw/zinc/33/37/24/135333724.db2.gz BUYVTQWDGSHMGX-SNVBAGLBSA-N 0 1 215.337 2.465 20 0 BEADMN Cc1ncc2c(n1)CCN([C@@H]1C=CCCC1)C2 ZINC000334284888 135339357 /nfs/dbraw/zinc/33/93/57/135339357.db2.gz KCAAANZSFQARCV-CYBMUJFWSA-N 0 1 229.327 2.252 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263313138 135345767 /nfs/dbraw/zinc/34/57/67/135345767.db2.gz GYFOTNFGHNLPQP-IJLUTSLNSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000263319716 135346644 /nfs/dbraw/zinc/34/66/44/135346644.db2.gz INBWSLMSWLEDNJ-UHFFFAOYSA-N 0 1 235.258 2.444 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000263319716 135346646 /nfs/dbraw/zinc/34/66/46/135346646.db2.gz INBWSLMSWLEDNJ-UHFFFAOYSA-N 0 1 235.258 2.444 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000263353040 135348679 /nfs/dbraw/zinc/34/86/79/135348679.db2.gz QKAACUDLNCLOBS-VXGBXAGGSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000334307308 135349538 /nfs/dbraw/zinc/34/95/38/135349538.db2.gz HQJPANRVURFXRF-WDEREUQCSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCCC2)C1 ZINC000263371653 135349847 /nfs/dbraw/zinc/34/98/47/135349847.db2.gz VNYHUZRUEQOZFI-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](Cc1ccccc1)C[N@@H+](C)CCC(=O)[O-] ZINC000263379476 135350253 /nfs/dbraw/zinc/35/02/53/135350253.db2.gz BGYZLMVXAUXTFJ-LBPRGKRZSA-N 0 1 235.327 2.272 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc2occc2c1 ZINC000263395986 135351405 /nfs/dbraw/zinc/35/14/05/135351405.db2.gz GOIBBWAEINLKAK-LBPRGKRZSA-N 0 1 245.278 2.482 20 0 BEADMN O=C([O-])[C@@H]1CCCN1c1cc[nH+]c2ccsc21 ZINC000263403650 135352170 /nfs/dbraw/zinc/35/21/70/135352170.db2.gz JWUSVVUBLPGTAT-JTQLQIEISA-N 0 1 248.307 2.350 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@H](C2CC2)C1 ZINC000334320706 135352378 /nfs/dbraw/zinc/35/23/78/135352378.db2.gz HHZZPVRVJFJWLE-NSHDSACASA-N 0 1 245.326 2.159 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000263412586 135352568 /nfs/dbraw/zinc/35/25/68/135352568.db2.gz LZQVKQKEZVNSSM-CHWPNHQFSA-N 0 1 249.285 2.388 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)[O-])c1cccc(Cl)c1 ZINC000263433643 135353479 /nfs/dbraw/zinc/35/34/79/135353479.db2.gz SXRUPODMMLNVOH-SECBINFHSA-N 0 1 241.718 2.460 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)[O-])c1cccc(Cl)c1 ZINC000263433644 135353524 /nfs/dbraw/zinc/35/35/24/135353524.db2.gz SXRUPODMMLNVOH-VIFPVBQESA-N 0 1 241.718 2.460 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263430399 135353526 /nfs/dbraw/zinc/35/35/26/135353526.db2.gz RWTRRNAADHGGAH-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000263432238 135353959 /nfs/dbraw/zinc/35/39/59/135353959.db2.gz SNHWBQNBNJDCHF-VHSXEESVSA-N 0 1 239.290 2.334 20 0 BEADMN C[C@@]1(C(=O)[O-])CCN(c2cc[nH+]cc2Cl)C1 ZINC000263423928 135353980 /nfs/dbraw/zinc/35/39/80/135353980.db2.gz QKGQJHFFOATSQY-LLVKDONJSA-N 0 1 240.690 2.036 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000263450652 135355281 /nfs/dbraw/zinc/35/52/81/135355281.db2.gz ZMBCSOSEUXWKKI-IHRRRGAJSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000263485517 135356949 /nfs/dbraw/zinc/35/69/49/135356949.db2.gz HGGNHYQKTVPJDH-YPMHNXCESA-N 0 1 233.311 2.372 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000263485514 135357367 /nfs/dbraw/zinc/35/73/67/135357367.db2.gz HGGNHYQKTVPJDH-DGCLKSJQSA-N 0 1 233.311 2.372 20 0 BEADMN CC1(C)CC(C(=O)Nc2nc(C3CCC3)n[nH]2)C1 ZINC000334334059 135362169 /nfs/dbraw/zinc/36/21/69/135362169.db2.gz WIKSUSAVZNFTSK-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN CC1(C)CC(C(=O)Nc2n[nH]c(C3CCC3)n2)C1 ZINC000334334059 135362170 /nfs/dbraw/zinc/36/21/70/135362170.db2.gz WIKSUSAVZNFTSK-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccc(C)n2)C1 ZINC000334348269 135366922 /nfs/dbraw/zinc/36/69/22/135366922.db2.gz YNSRCAQHDNEMFS-GFCCVEGCSA-N 0 1 219.332 2.407 20 0 BEADMN OC[C@]1(F)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000334348709 135368268 /nfs/dbraw/zinc/36/82/68/135368268.db2.gz TYCPUOMRAVJQMY-HNNXBMFYSA-N 0 1 249.329 2.082 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2[C@@H](C)C[C@@H]2C)[nH]1 ZINC000334358424 135370833 /nfs/dbraw/zinc/37/08/33/135370833.db2.gz SNXUGDMJAYJUSQ-IUCAKERBSA-N 0 1 243.310 2.494 20 0 BEADMN O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc(F)cc1O ZINC000334368766 135373232 /nfs/dbraw/zinc/37/32/32/135373232.db2.gz MJSJMXWKWLZFQB-VXNVDRBHSA-N 0 1 241.237 2.152 20 0 BEADMN CC(C)=CCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000334367889 135374569 /nfs/dbraw/zinc/37/45/69/135374569.db2.gz RRFGCEGNJFHESR-JTQLQIEISA-N 0 1 237.265 2.342 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000334376655 135376219 /nfs/dbraw/zinc/37/62/19/135376219.db2.gz FIBCHQFIWMROCD-GFCCVEGCSA-N 0 1 221.348 2.288 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@@H](C)C2)cn1 ZINC000334387130 135383044 /nfs/dbraw/zinc/38/30/44/135383044.db2.gz OTAGKWUIVPSWNS-AOOOYVTPSA-N 0 1 237.372 2.111 20 0 BEADMN CCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000080941035 135385139 /nfs/dbraw/zinc/38/51/39/135385139.db2.gz ZSZVOHMHNQTSMV-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc(CO)cc2)C1 ZINC000334403367 135390783 /nfs/dbraw/zinc/39/07/83/135390783.db2.gz OVPFFHRGABJBJQ-ZDUSSCGKSA-N 0 1 223.291 2.113 20 0 BEADMN CC1=CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000334415962 135394704 /nfs/dbraw/zinc/39/47/04/135394704.db2.gz PZSASLVGUBVODB-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334433564 135406195 /nfs/dbraw/zinc/40/61/95/135406195.db2.gz MTXOVYBYDBZDMF-NXEZZACHSA-N 0 1 247.342 2.405 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1cnns1 ZINC000334785913 135812595 /nfs/dbraw/zinc/81/25/95/135812595.db2.gz HTDLCHXVTGXLRM-JTQLQIEISA-N 0 1 211.334 2.159 20 0 BEADMN COc1cccc(CSc2cn[nH]n2)c1 ZINC000347742395 136010649 /nfs/dbraw/zinc/01/06/49/136010649.db2.gz YJQWIGMTYNSFDC-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCC12CCC2 ZINC000335311298 136029466 /nfs/dbraw/zinc/02/94/66/136029466.db2.gz BVADSHUCSHBAPL-NEPJUHHUSA-N 0 1 246.358 2.344 20 0 BEADMN CN(C(=O)c1cccc2c[nH]nc21)[C@H]1CC1(C)C ZINC000335312435 136030559 /nfs/dbraw/zinc/03/05/59/136030559.db2.gz XMNWBLXSFGIVPX-NSHDSACASA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cccc2[nH]cnc21 ZINC000335319193 136033545 /nfs/dbraw/zinc/03/35/45/136033545.db2.gz BSFAEOGQCYUTSG-LBPRGKRZSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1ccoc1CN[C@H]1C[C@H]1C(F)F ZINC000348167061 136042353 /nfs/dbraw/zinc/04/23/53/136042353.db2.gz CLDHDUZLKWGOLX-SFYZADRCSA-N 0 1 201.216 2.331 20 0 BEADMN CCN(CCC1CC1)Cc1cn(C(C)C)nn1 ZINC000348216409 136045906 /nfs/dbraw/zinc/04/59/06/136045906.db2.gz CBCRBEGDMGYARQ-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN OC[C@H]1C=C[C@@H](NCc2ccsc2Cl)C1 ZINC000348214755 136046061 /nfs/dbraw/zinc/04/60/61/136046061.db2.gz AKKOZOABJOENSL-WCBMZHEXSA-N 0 1 243.759 2.428 20 0 BEADMN OC[C@@H]1C=C[C@@H](NCc2sccc2Cl)C1 ZINC000348219911 136046644 /nfs/dbraw/zinc/04/66/44/136046644.db2.gz GZJFNVDBCUTQRT-RKDXNWHRSA-N 0 1 243.759 2.428 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@@H]2C(F)F)o1 ZINC000348190275 136048831 /nfs/dbraw/zinc/04/88/31/136048831.db2.gz UUVSTNQNGDUICK-DTWKUNHWSA-N 0 1 201.216 2.331 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cn(C(C)C)nn1 ZINC000348191986 136049238 /nfs/dbraw/zinc/04/92/38/136049238.db2.gz IQRSTCBJYWJELB-YPMHNXCESA-N 0 1 236.363 2.479 20 0 BEADMN CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1CC ZINC000348192975 136049520 /nfs/dbraw/zinc/04/95/20/136049520.db2.gz NDUVONGIXWXZAE-TUAOUCFPSA-N 0 1 225.332 2.203 20 0 BEADMN O=c1cc(CN2CCCC3(CCC3)C2)occ1O ZINC000348192302 136049857 /nfs/dbraw/zinc/04/98/57/136049857.db2.gz GQFBRUHSTFKRKH-UHFFFAOYSA-N 0 1 249.310 2.112 20 0 BEADMN FC1(F)CCC12CN(CC1=CCCOC1)C2 ZINC000335324358 136051002 /nfs/dbraw/zinc/05/10/02/136051002.db2.gz RTJHFICLFKUTSR-UHFFFAOYSA-N 0 1 229.270 2.064 20 0 BEADMN O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCCC2(CC2)C1 ZINC000335332913 136054678 /nfs/dbraw/zinc/05/46/78/136054678.db2.gz HGDNVALIBJRJOY-ZDUSSCGKSA-N 0 1 248.370 2.016 20 0 BEADMN O=C([C@@H]1CCCN1C1CC1)N1CCCC2(CC2)C1 ZINC000335332913 136054679 /nfs/dbraw/zinc/05/46/79/136054679.db2.gz HGDNVALIBJRJOY-ZDUSSCGKSA-N 0 1 248.370 2.016 20 0 BEADMN COc1ccc(CN2CC(C)C2)c(C)c1OC ZINC000348357662 136072669 /nfs/dbraw/zinc/07/26/69/136072669.db2.gz IHPHFVKEURTGCP-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN Cc1cc(N2CCN(C)C[C@@H]2C)nc(C(C)C)n1 ZINC000348369697 136073218 /nfs/dbraw/zinc/07/32/18/136073218.db2.gz VELDRIBNEOVWIE-LBPRGKRZSA-N 0 1 248.374 2.049 20 0 BEADMN CC(C)CCCN(C)Cc1ccnn1C ZINC000348372126 136073560 /nfs/dbraw/zinc/07/35/60/136073560.db2.gz OABROEXTHVZCIF-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN Cc1ccsc1CN(C)C(=O)c1cnc[nH]1 ZINC000335366618 136081697 /nfs/dbraw/zinc/08/16/97/136081697.db2.gz FESYLIQVHCSKAC-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN Cc1cnccc1CCN1CC(C)(C)OC[C@@H]1C ZINC000335368636 136082482 /nfs/dbraw/zinc/08/24/82/136082482.db2.gz VEFBBNCFMOPKTE-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335400720 136094338 /nfs/dbraw/zinc/09/43/38/136094338.db2.gz NWBNRHFASWAGSL-RISCZKNCSA-N 0 1 233.311 2.123 20 0 BEADMN COc1ccsc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000348555601 136096671 /nfs/dbraw/zinc/09/66/71/136096671.db2.gz OAUUJYKQYPLVME-UWVGGRQHSA-N 0 1 241.356 2.102 20 0 BEADMN c1cn([C@@H]2CCCN(Cc3ccsc3)C2)nn1 ZINC000335549848 136097799 /nfs/dbraw/zinc/09/77/99/136097799.db2.gz MRIBGTHITJSPBA-GFCCVEGCSA-N 0 1 248.355 2.177 20 0 BEADMN CCC1(CC)CN(C(=O)CN)c2ccccc21 ZINC000335564401 136106894 /nfs/dbraw/zinc/10/68/94/136106894.db2.gz SPFGQQRWAFNXGU-UHFFFAOYSA-N 0 1 232.327 2.050 20 0 BEADMN CC[C@H]1CCCCN1Cc1cnns1 ZINC000335570745 136109226 /nfs/dbraw/zinc/10/92/26/136109226.db2.gz YQEXUTAQMXTFHK-VIFPVBQESA-N 0 1 211.334 2.303 20 0 BEADMN OC[C@]1(F)CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000335572358 136109637 /nfs/dbraw/zinc/10/96/37/136109637.db2.gz GHZWSZIFXJWIBW-RUXDESIVSA-N 0 1 241.350 2.363 20 0 BEADMN Cc1ccoc1C[N@H+](C)[C@H]1CCCOC1 ZINC000335571559 136109835 /nfs/dbraw/zinc/10/98/35/136109835.db2.gz GUYSRBSTOREEPB-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN Cc1ccoc1CN(C)[C@H]1CCCOC1 ZINC000335571559 136109836 /nfs/dbraw/zinc/10/98/36/136109836.db2.gz GUYSRBSTOREEPB-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN C[C@@H](C(N)=O)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335572351 136109877 /nfs/dbraw/zinc/10/98/77/136109877.db2.gz GDKKSTAYMGZWGQ-GXSJLCMTSA-N 0 1 228.361 2.129 20 0 BEADMN Cn1cncc1CN1CC2(C1)CCCCC2 ZINC000335572939 136110504 /nfs/dbraw/zinc/11/05/04/136110504.db2.gz UHVIATVLMJYORW-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC23CC3)c1 ZINC000335599424 136114300 /nfs/dbraw/zinc/11/43/00/136114300.db2.gz WZYPGABHGGVCGI-JTQLQIEISA-N 0 1 245.278 2.333 20 0 BEADMN C[C@H](O)C[C@@H]1CCCCCN1Cc1cocn1 ZINC000348639921 136114792 /nfs/dbraw/zinc/11/47/92/136114792.db2.gz FNCSEPGONJDFNQ-AAEUAGOBSA-N 0 1 238.331 2.190 20 0 BEADMN CCN(Cc1cc(F)c(F)cc1F)C[C@@H](C)O ZINC000348699994 136116575 /nfs/dbraw/zinc/11/65/75/136116575.db2.gz BDDVSWUSVHXSMS-MRVPVSSYSA-N 0 1 247.260 2.307 20 0 BEADMN CCc1ncc(CNC(=O)C(C2CC2)C2CC2)[nH]1 ZINC001646325584 1172731196 /nfs/dbraw/zinc/73/11/96/1172731196.db2.gz ODERUKFHIWVZCF-UHFFFAOYSA-N 0 1 247.342 2.025 20 0 BEADMN CCC[C@@H](C)CC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001646380468 1172733190 /nfs/dbraw/zinc/73/31/90/1172733190.db2.gz SRJUJIRWKFFRRA-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1ccc2[nH]ccc2c1 ZINC000628244139 397731916 /nfs/dbraw/zinc/73/19/16/397731916.db2.gz UOSAWBBFVIMNJA-STQMWFEESA-N 0 1 248.301 2.073 20 0 BEADMN CO[C@H]([C@@H](C)NCc1nccs1)C1CC1 ZINC000388308926 397884813 /nfs/dbraw/zinc/88/48/13/397884813.db2.gz QWCVSVYJMYTYIF-LDYMZIIASA-N 0 1 226.345 2.046 20 0 BEADMN Cc1c(Cl)c(CNC(C)(C)C)nn1C ZINC000335228121 397863105 /nfs/dbraw/zinc/86/31/05/397863105.db2.gz BFJHTXSWIBRRJO-UHFFFAOYSA-N 0 1 215.728 2.270 20 0 BEADMN CCCc1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000098124658 397814700 /nfs/dbraw/zinc/81/47/00/397814700.db2.gz BKLCKEOUVSMGJV-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cc2n(n1)CCC2 ZINC000649540571 397933579 /nfs/dbraw/zinc/93/35/79/397933579.db2.gz ZZLMQZZLCZGWEA-NWDGAFQWSA-N 0 1 233.359 2.450 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cc4n(n3)CCCC4)C[C@@H]21 ZINC000649541091 397934483 /nfs/dbraw/zinc/93/44/83/397934483.db2.gz PZFMCAJXFBIZMM-OKILXGFUSA-N 0 1 245.370 2.307 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)COC(C)C)ccc12 ZINC000271310712 397965697 /nfs/dbraw/zinc/96/56/97/397965697.db2.gz WUYUQHZHZNPKPW-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC000649548166 397940260 /nfs/dbraw/zinc/94/02/60/397940260.db2.gz OUEUETAZYSJWFU-VXGBXAGGSA-N 0 1 233.359 2.450 20 0 BEADMN CC(C)CCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650145190 397942799 /nfs/dbraw/zinc/94/27/99/397942799.db2.gz GRYUODDGEFHHOB-JHJVBQTASA-N 0 1 240.391 2.362 20 0 BEADMN c1c(CN2CCC3(CCC3)C2)nn2c1CCC2 ZINC000649550571 397943243 /nfs/dbraw/zinc/94/32/43/397943243.db2.gz SWQFZHMIVNBNNB-UHFFFAOYSA-N 0 1 231.343 2.205 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000650145920 397943826 /nfs/dbraw/zinc/94/38/26/397943826.db2.gz TYKRATJPPQFXQF-LOWDOPEQSA-N 0 1 240.391 2.362 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650145920 397943827 /nfs/dbraw/zinc/94/38/27/397943827.db2.gz TYKRATJPPQFXQF-LOWDOPEQSA-N 0 1 240.391 2.362 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2cc(C)on2)C1(C)C ZINC000446955142 397949716 /nfs/dbraw/zinc/94/97/16/397949716.db2.gz XQNUARCGGLERAI-YPMHNXCESA-N 0 1 238.331 2.276 20 0 BEADMN COc1cc(C)ccc1CN(C)[C@@H]1CCOC1 ZINC000449022580 397950264 /nfs/dbraw/zinc/95/02/64/397950264.db2.gz JMHSQKBFRZFFGX-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN C[C@@H](c1ccco1)N(C[C@@H]1CCC(=O)N1)C1CC1 ZINC000649563505 397953134 /nfs/dbraw/zinc/95/31/34/397953134.db2.gz SFUJDBIMSCQVGN-QWRGUYRKSA-N 0 1 248.326 2.084 20 0 BEADMN CC[C@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000192244092 397892506 /nfs/dbraw/zinc/89/25/06/397892506.db2.gz HNQNHFLVWJRTNV-ZDUSSCGKSA-N 0 1 239.746 2.469 20 0 BEADMN C[C@@H](NCC(F)(F)CO)[C@H]1CC2CCC1CC2 ZINC000382188053 397919968 /nfs/dbraw/zinc/91/99/68/397919968.db2.gz QYXRAYOCYMEINS-HBIQZDMRSA-N 0 1 247.329 2.418 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000388702285 397993020 /nfs/dbraw/zinc/99/30/20/397993020.db2.gz OSALQIKCZRQSLJ-ONGXEEELSA-N 0 1 236.315 2.047 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1cnccn1 ZINC000556773817 398046443 /nfs/dbraw/zinc/04/64/43/398046443.db2.gz QKUYHPCEUHRDKP-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649630134 398011316 /nfs/dbraw/zinc/01/13/16/398011316.db2.gz DDHJNQHEPHUHSG-LLVKDONJSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1cc2n(n1)CCC2 ZINC000649630134 398011318 /nfs/dbraw/zinc/01/13/18/398011318.db2.gz DDHJNQHEPHUHSG-LLVKDONJSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000054070201 398021280 /nfs/dbraw/zinc/02/12/80/398021280.db2.gz UGUHCLWROJFYSC-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN COc1nccc(CN2CCC23CCCC3)n1 ZINC000649658513 398028343 /nfs/dbraw/zinc/02/83/43/398028343.db2.gz NXWRGTPZWXWBMV-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN C[C@]1(F)CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000649690470 398036190 /nfs/dbraw/zinc/03/61/90/398036190.db2.gz YFFDXHAWQSAWHA-STQMWFEESA-N 0 1 245.338 2.006 20 0 BEADMN C[C@@]1(F)CCCN(CCOC[C@H]2CCCO2)C1 ZINC000649690467 398036346 /nfs/dbraw/zinc/03/63/46/398036346.db2.gz YFFDXHAWQSAWHA-CHWSQXEVSA-N 0 1 245.338 2.006 20 0 BEADMN CC(C)[N@@H+](Cc1cccc(N(C)C)c1)C1COC1 ZINC000649694085 398041962 /nfs/dbraw/zinc/04/19/62/398041962.db2.gz QHRNBVNYAPVOGI-UHFFFAOYSA-N 0 1 248.370 2.362 20 0 BEADMN CC(C)N(Cc1cccc(N(C)C)c1)C1COC1 ZINC000649694085 398041964 /nfs/dbraw/zinc/04/19/64/398041964.db2.gz QHRNBVNYAPVOGI-UHFFFAOYSA-N 0 1 248.370 2.362 20 0 BEADMN C[C@@H](N[C@@H](C)C(F)F)[C@H]1CCCOC1 ZINC000388540146 397982396 /nfs/dbraw/zinc/98/23/96/397982396.db2.gz CBGXYPAIRDRTJQ-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN CCc1noc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000650285482 398061055 /nfs/dbraw/zinc/06/10/55/398061055.db2.gz MPPLPHGSAYEOFU-VIFPVBQESA-N 0 1 223.320 2.395 20 0 BEADMN CCc1noc(CN2[C@H](C)CCC2(C)C)n1 ZINC000650285481 398061070 /nfs/dbraw/zinc/06/10/70/398061070.db2.gz MPPLPHGSAYEOFU-SECBINFHSA-N 0 1 223.320 2.395 20 0 BEADMN CCCCOCCN1C[C@@H](CC)OC[C@H]1C ZINC000649731303 398070972 /nfs/dbraw/zinc/07/09/72/398070972.db2.gz FWXCGNPUCYGQOI-CHWSQXEVSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@H]1CN(CCOCC(C)C)[C@@H](C)CO1 ZINC000649737177 398075579 /nfs/dbraw/zinc/07/55/79/398075579.db2.gz SMEWYXCTXRKOTC-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@H]1CN(CCc2cccc(C)n2)[C@@H](C)CO1 ZINC000649736984 398079722 /nfs/dbraw/zinc/07/97/22/398079722.db2.gz OHDXPHRDHOPWLC-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cc(O)ccc1Cl ZINC000625449493 398083248 /nfs/dbraw/zinc/08/32/48/398083248.db2.gz CMYPUMONWHBHFA-JTQLQIEISA-N 0 1 243.734 2.248 20 0 BEADMN CC[N@@H+](C[C@H]1CCC(C)(C)O1)[C@@H]1CCCOC1 ZINC000649755618 398086032 /nfs/dbraw/zinc/08/60/32/398086032.db2.gz SIYAYVXZBYOUKL-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N(C)C[C@H](C)O ZINC000291119921 398089609 /nfs/dbraw/zinc/08/96/09/398089609.db2.gz ATLPEQMPDMPFPY-VHSXEESVSA-N 0 1 234.299 2.201 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC000607650558 398051991 /nfs/dbraw/zinc/05/19/91/398051991.db2.gz RWZAFVWMPLYYAB-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@H]1COC(C)(C)CN1Cc1ccncc1 ZINC000649715658 398056738 /nfs/dbraw/zinc/05/67/38/398056738.db2.gz IDWQDPBKVZMQSO-ZDUSSCGKSA-N 0 1 234.343 2.471 20 0 BEADMN CCc1ccc(CN[C@@H](C)Cn2cccn2)o1 ZINC000051724107 398058882 /nfs/dbraw/zinc/05/88/82/398058882.db2.gz ABACQGWNYPZTBB-NSHDSACASA-N 0 1 233.315 2.217 20 0 BEADMN Cc1nnc(NC(=O)c2csc(Cl)c2)[nH]1 ZINC000191069070 398100463 /nfs/dbraw/zinc/10/04/63/398100463.db2.gz STBFLJJRFCLPSK-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN Cc1n[nH]c(NC(=O)c2csc(Cl)c2)n1 ZINC000191069070 398100467 /nfs/dbraw/zinc/10/04/67/398100467.db2.gz STBFLJJRFCLPSK-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN CC[C@H]1CCN1Cc1cnccc1OC ZINC000292566413 398105071 /nfs/dbraw/zinc/10/50/71/398105071.db2.gz ZRFLWCNYHFUYMG-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN Cc1nc(CN(C)c2c(F)cccc2F)n[nH]1 ZINC000292569834 398105240 /nfs/dbraw/zinc/10/52/40/398105240.db2.gz SNUYKDNPEYGPMG-UHFFFAOYSA-N 0 1 238.241 2.028 20 0 BEADMN CCCCC(=O)Nc1ccc2cncn2c1 ZINC001647935481 1172776988 /nfs/dbraw/zinc/77/69/88/1172776988.db2.gz LDMPAZBAVXJTBD-UHFFFAOYSA-N 0 1 217.272 2.463 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H](C)C(C)C ZINC000069397165 398106588 /nfs/dbraw/zinc/10/65/88/398106588.db2.gz JKARTZYRDBJBDP-SECBINFHSA-N 0 1 223.320 2.017 20 0 BEADMN Cc1cnc(CNC2(C3CCC3)CC2)o1 ZINC000649809004 398115472 /nfs/dbraw/zinc/11/54/72/398115472.db2.gz ZQEYXBVERNYPSU-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN COC[C@H]1CCN1CCc1ccccc1F ZINC000293656830 398116684 /nfs/dbraw/zinc/11/66/84/398116684.db2.gz SVHOYCQNZXWXKI-GFCCVEGCSA-N 0 1 223.291 2.089 20 0 BEADMN Cn1cnnc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000650334655 398117604 /nfs/dbraw/zinc/11/76/04/398117604.db2.gz FVDOKVXAZHZEAK-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN Cn1cc(Cl)c(CN2CCC3(CC3)CC2)n1 ZINC000643251409 398109597 /nfs/dbraw/zinc/10/95/97/398109597.db2.gz DRHXMNIVZOOAIT-UHFFFAOYSA-N 0 1 239.750 2.450 20 0 BEADMN COC[C@@]1(C)CCN(Cc2nc(C)cs2)C1 ZINC000294330197 398125245 /nfs/dbraw/zinc/12/52/45/398125245.db2.gz XNLBRUNUCKVVPH-LBPRGKRZSA-N 0 1 240.372 2.310 20 0 BEADMN Cn1cncc1CN[C@@H]1CCc2c1cccc2F ZINC000263849951 398126007 /nfs/dbraw/zinc/12/60/07/398126007.db2.gz NFFQCJGPLVHTMX-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN CC[C@@H](N[C@H](C)c1nc(C)no1)C(C)C ZINC000336741279 398127584 /nfs/dbraw/zinc/12/75/84/398127584.db2.gz VKVVSSHXZSMXTB-PSASIEDQSA-N 0 1 211.309 2.463 20 0 BEADMN C[C@H](c1ccccn1)N(C)C[C@H]1CCCO1 ZINC000246399115 398122817 /nfs/dbraw/zinc/12/28/17/398122817.db2.gz QIMQWDFKPMIYOE-VXGBXAGGSA-N 0 1 220.316 2.253 20 0 BEADMN CN(Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000078398711 398135282 /nfs/dbraw/zinc/13/52/82/398135282.db2.gz KNSYAIIBDMTRNV-UHFFFAOYSA-N 0 1 227.311 2.467 20 0 BEADMN CCOCCCC(=O)Nc1ccc2cncn2c1 ZINC001647936128 1172779764 /nfs/dbraw/zinc/77/97/64/1172779764.db2.gz YJVSZIWXBSXPKC-UHFFFAOYSA-N 0 1 247.298 2.090 20 0 BEADMN CCCCOCC(=O)Nc1ccc2cncn2c1 ZINC001647938060 1172780101 /nfs/dbraw/zinc/78/01/01/1172780101.db2.gz CAJBGJRVABJDMO-UHFFFAOYSA-N 0 1 247.298 2.090 20 0 BEADMN CCc1ncc(CN[C@@H](C)CF)s1 ZINC000288432637 172019702 /nfs/dbraw/zinc/01/97/02/172019702.db2.gz LCOAEFVYIANKSI-ZETCQYMHSA-N 0 1 202.298 2.153 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@H]2C[C@@H](C)n3ccnc32)O1 ZINC000398185409 322865542 /nfs/dbraw/zinc/86/55/42/322865542.db2.gz UYQITXOZMKXYRV-KKOKHZNYSA-N 0 1 235.331 2.046 20 0 BEADMN CNCc1nc(-c2ccc3ccccc3n2)no1 ZINC000063075228 1172797208 /nfs/dbraw/zinc/79/72/08/1172797208.db2.gz ALSUHIPLKCIYLS-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CC(C)NC(=O)CN(C)[C@@H]1C=CCCCCC1 ZINC000338924478 167049938 /nfs/dbraw/zinc/04/99/38/167049938.db2.gz JGQSGQJCBSLPLQ-CYBMUJFWSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)NC(=O)CN[C@@H](C)c1cccc(F)c1 ZINC000035133025 167057822 /nfs/dbraw/zinc/05/78/22/167057822.db2.gz KVAWKLUWBKQWPF-JTQLQIEISA-N 0 1 238.306 2.001 20 0 BEADMN O=C(Nc1ccns1)c1cccc2[nH]ncc21 ZINC001648180683 1172809336 /nfs/dbraw/zinc/80/93/36/1172809336.db2.gz CDCJOMPMJGWOMT-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN C[C@@H]1C[C@H]1NC(=O)c1ccc(CN2CCCC2)o1 ZINC001648286655 1172817502 /nfs/dbraw/zinc/81/75/02/1172817502.db2.gz BAGXKOVMIGBTDV-ZYHUDNBSSA-N 0 1 248.326 2.014 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001648595005 1172854033 /nfs/dbraw/zinc/85/40/33/1172854033.db2.gz ZXVYISFHXKHTKC-UPJWGTAASA-N 0 1 233.359 2.288 20 0 BEADMN c1csc(CNC2([C@@H]3CCCO3)CCC2)n1 ZINC001648625296 1172859116 /nfs/dbraw/zinc/85/91/16/1172859116.db2.gz YVQZEWPPCGEMNP-JTQLQIEISA-N 0 1 238.356 2.334 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN(C)C2(CO)CC2)o1 ZINC000668801888 487565238 /nfs/dbraw/zinc/56/52/38/487565238.db2.gz ZBROSCODQJCMIG-JQWIXIFHSA-N 0 1 235.327 2.360 20 0 BEADMN CC(C)OC1CC(N[C@@H](C)c2ccon2)C1 ZINC000309374436 167176736 /nfs/dbraw/zinc/17/67/36/167176736.db2.gz QZHKQLXQQRAIMK-WHXUTIOJSA-N 0 1 224.304 2.281 20 0 BEADMN c1ncc(CN2CC(C3CCOCC3)C2)s1 ZINC000669715526 487568528 /nfs/dbraw/zinc/56/85/28/487568528.db2.gz STNSYUXJOZRIHS-UHFFFAOYSA-N 0 1 238.356 2.002 20 0 BEADMN CCc1nc([C@H](C)NCc2cccc(F)c2)n[nH]1 ZINC001650890774 1172906961 /nfs/dbraw/zinc/90/69/61/1172906961.db2.gz RRTBYJJSETWSGY-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CCc1nc([C@@H](C)NCc2cccc(F)c2)n[nH]1 ZINC001650890773 1172907110 /nfs/dbraw/zinc/90/71/10/1172907110.db2.gz RRTBYJJSETWSGY-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN C[C@H](CN1CCn2cncc2C1)C(C)(C)C ZINC000685850109 487588343 /nfs/dbraw/zinc/58/83/43/487588343.db2.gz AOFOLELURHDSJS-LLVKDONJSA-N 0 1 221.348 2.381 20 0 BEADMN C[C@@H](CN[C@H](C)c1ncn(C)n1)C(C)(C)C ZINC000309754599 487590911 /nfs/dbraw/zinc/59/09/11/487590911.db2.gz LHQBPDWRVUHUQC-VHSXEESVSA-N 0 1 224.352 2.148 20 0 BEADMN O=C(NCCCC1CC1)c1cccc2nc[nH]c21 ZINC000655239010 487591358 /nfs/dbraw/zinc/59/13/58/487591358.db2.gz ATYWSESAIXSQFT-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nccs2)CS1 ZINC000086935508 487592668 /nfs/dbraw/zinc/59/26/68/487592668.db2.gz WBTWWFQSUDRKOK-HTQZYQBOSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@H]1C[C@@H](NCc2nccs2)CS1 ZINC000086935509 487592971 /nfs/dbraw/zinc/59/29/71/487592971.db2.gz WBTWWFQSUDRKOK-JGVFFNPUSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@@H]1C[C@H](NCc2nccs2)CS1 ZINC000086935506 487593528 /nfs/dbraw/zinc/59/35/28/487593528.db2.gz WBTWWFQSUDRKOK-SFYZADRCSA-N 0 1 214.359 2.127 20 0 BEADMN CC(C)[C@@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000685908743 487593742 /nfs/dbraw/zinc/59/37/42/487593742.db2.gz ANRSYEBOAZRNSU-ZDUSSCGKSA-N 0 1 246.310 2.369 20 0 BEADMN CC(C)Oc1c(Cl)cccc1NC(=O)CN ZINC000236607200 167283637 /nfs/dbraw/zinc/28/36/37/167283637.db2.gz NETWKDMRIUGFDX-UHFFFAOYSA-N 0 1 242.706 2.024 20 0 BEADMN CC(C)CC(C)(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000674668120 487603161 /nfs/dbraw/zinc/60/31/61/487603161.db2.gz SSDVVBSWARFVMT-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)S(=O)(=O)CCCN1[C@H](C)CC[C@H]1C ZINC000122223948 167317044 /nfs/dbraw/zinc/31/70/44/167317044.db2.gz GULSFVMFGQWVNR-VXGBXAGGSA-N 0 1 247.404 2.073 20 0 BEADMN CC(C)S(=O)(=O)CCCN(C)CC(C)(C)C ZINC000336676310 167317775 /nfs/dbraw/zinc/31/77/75/167317775.db2.gz MZBDWPTZFANMGT-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN c1n[nH]nc1SC[C@@H]1CCC2(CCCC2)O1 ZINC001651833680 1172992013 /nfs/dbraw/zinc/99/20/13/1172992013.db2.gz JXANVJARNUHAOM-VIFPVBQESA-N 0 1 239.344 2.389 20 0 BEADMN CC(C)SCCN1C[C@H](C)OC[C@H]1C ZINC000336684235 167327518 /nfs/dbraw/zinc/32/75/18/167327518.db2.gz JJLGGLJWLGAIBU-MNOVXSKESA-N 0 1 217.378 2.237 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CC(C)C ZINC000300848812 487609437 /nfs/dbraw/zinc/60/94/37/487609437.db2.gz FAXXCAGWQXQMET-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CC2(C)C)nn1C ZINC000662345064 409656900 /nfs/dbraw/zinc/65/69/00/409656900.db2.gz VKDTWOSUWWILDI-LLVKDONJSA-N 0 1 221.348 2.206 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000653133206 409848542 /nfs/dbraw/zinc/84/85/42/409848542.db2.gz AUTKCWKHJBSERG-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN C[N@H+](Cc1n[n-]c(=O)o1)CC1CCCCCC1 ZINC000660845739 409849728 /nfs/dbraw/zinc/84/97/28/409849728.db2.gz TTYPJKXXVKWNME-UHFFFAOYSA-N 0 1 239.319 2.177 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCCCF ZINC000308785686 409906404 /nfs/dbraw/zinc/90/64/04/409906404.db2.gz FJJMTUDMXSESMD-SNVBAGLBSA-N 0 1 217.284 2.065 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1n[n-]c(=O)o1)c1ccccc1 ZINC000660850791 409867065 /nfs/dbraw/zinc/86/70/65/409867065.db2.gz YFFLPWHZDUTSDX-SNVBAGLBSA-N 0 1 247.298 2.011 20 0 BEADMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660850749 409868120 /nfs/dbraw/zinc/86/81/20/409868120.db2.gz XIIFDLOWTKWVEL-NSHDSACASA-N 0 1 247.298 2.358 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000308947358 409966291 /nfs/dbraw/zinc/96/62/91/409966291.db2.gz VHFIBISLNZXCOD-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN CCN(Cc1ccccc1)C(=O)C1(N(C)C)CC1 ZINC000665844887 487613103 /nfs/dbraw/zinc/61/31/03/487613103.db2.gz DRFVERIPWHINOQ-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1csc(C(=O)[O-])c1 ZINC000663315954 410109717 /nfs/dbraw/zinc/10/97/17/410109717.db2.gz QMOLBGURQPPSGG-UHFFFAOYSA-N 0 1 237.324 2.431 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000663317327 410110622 /nfs/dbraw/zinc/11/06/22/410110622.db2.gz LRHRNNCNCPSJBQ-OPDFLTKYSA-N 0 1 237.343 2.219 20 0 BEADMN C[N@@H+](C[C@@H]1CC1(C)C)[C@H](C(=O)[O-])c1cccnc1 ZINC000663317393 410110637 /nfs/dbraw/zinc/11/06/37/410110637.db2.gz NDKZWUYILNTNOI-RYUDHWBXSA-N 0 1 248.326 2.185 20 0 BEADMN C[N@@H+](C[C@H]1CC1(C)C)[C@H](C(=O)[O-])c1cccnc1 ZINC000663317391 410110780 /nfs/dbraw/zinc/11/07/80/410110780.db2.gz NDKZWUYILNTNOI-NEPJUHHUSA-N 0 1 248.326 2.185 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccc(F)c1F ZINC000661082476 410114718 /nfs/dbraw/zinc/11/47/18/410114718.db2.gz AABMGEIHDNZWFQ-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN C[C@H]1C[N@@H+](CCCCCF)CC[C@H]1C(=O)[O-] ZINC000309145782 410263380 /nfs/dbraw/zinc/26/33/80/410263380.db2.gz IRLXRLWUOBMCJD-WDEREUQCSA-N 0 1 231.311 2.169 20 0 BEADMN CO[C@](C)(CN1CC(OCC(C)C)C1)C1CC1 ZINC001652025643 1173025045 /nfs/dbraw/zinc/02/50/45/1173025045.db2.gz SVXYAWFTOARQDV-CQSZACIVSA-N 0 1 241.375 2.158 20 0 BEADMN CN(Cc1cn(C2CCC2)nn1)C(C)(C)C ZINC000668278023 487616156 /nfs/dbraw/zinc/61/61/56/487616156.db2.gz WEXGHJMNYFAOJB-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN CCC[C@H](C)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794930 410441553 /nfs/dbraw/zinc/44/15/53/410441553.db2.gz KTBUKINPFXPROC-DCAQKATOSA-N 0 1 213.321 2.360 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(Cl)o1 ZINC000650808253 410516713 /nfs/dbraw/zinc/51/67/13/410516713.db2.gz UYNIUGQQQJJRIV-MRVPVSSYSA-N 0 1 231.679 2.228 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)o1 ZINC000650808253 410516719 /nfs/dbraw/zinc/51/67/19/410516719.db2.gz UYNIUGQQQJJRIV-MRVPVSSYSA-N 0 1 231.679 2.228 20 0 BEADMN CCC[C@H](NC(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000655478471 410712003 /nfs/dbraw/zinc/71/20/03/410712003.db2.gz OFQRUFGVSSEBJW-AAEUAGOBSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H](C)C1=O ZINC000661539106 410740139 /nfs/dbraw/zinc/74/01/39/410740139.db2.gz NPFXQGMITPGOGY-JHJVBQTASA-N 0 1 239.359 2.103 20 0 BEADMN CCc1noc(CN[C@@H](C)C2CCCC2)n1 ZINC000393754272 410758056 /nfs/dbraw/zinc/75/80/56/410758056.db2.gz GUSICCFGWHWYOB-VIFPVBQESA-N 0 1 223.320 2.300 20 0 BEADMN CC(C)CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270788081 166769202 /nfs/dbraw/zinc/76/92/02/166769202.db2.gz UORVPBNBMFTLKR-SECBINFHSA-N 0 1 238.335 2.151 20 0 BEADMN COc1ncc(CN[C@@H]2CSC2(C)C)s1 ZINC000393822599 410763669 /nfs/dbraw/zinc/76/36/69/410763669.db2.gz ADWDKCOQXZFFIE-MRVPVSSYSA-N 0 1 244.385 2.135 20 0 BEADMN CC[C@H]1CCCC[C@@H]1CNC(=O)[C@H](C)N(C)C ZINC000651005414 410749628 /nfs/dbraw/zinc/74/96/28/410749628.db2.gz XMRINLKFWVPFGL-RWMBFGLXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](NC(=O)c1cnccc1N(C)C)C1CCC1 ZINC000680593401 487618944 /nfs/dbraw/zinc/61/89/44/487618944.db2.gz NOMVMSFPKXROOD-SNVBAGLBSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@H](NC(=O)c1cnccc1N(C)C)C1CCC1 ZINC000680593400 487619017 /nfs/dbraw/zinc/61/90/17/487619017.db2.gz NOMVMSFPKXROOD-JTQLQIEISA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCF)CC[C@H]1C(=O)[O-] ZINC000309145778 410868166 /nfs/dbraw/zinc/86/81/66/410868166.db2.gz IRLXRLWUOBMCJD-GHMZBOCLSA-N 0 1 231.311 2.169 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2F)c(=O)c1C ZINC000103294557 410888583 /nfs/dbraw/zinc/88/85/83/410888583.db2.gz GBJBBJAFRMYDSU-ZCFIWIBFSA-N 0 1 224.210 2.323 20 0 BEADMN CC(C)OC(=O)c1cccc2[nH]ncc21 ZINC000352406824 167174201 /nfs/dbraw/zinc/17/42/01/167174201.db2.gz NUQAVDSPFIBXFX-UHFFFAOYSA-N 0 1 204.229 2.128 20 0 BEADMN CC(C)OCC(=O)Nc1cccc(Cl)c1O ZINC000265489538 167190765 /nfs/dbraw/zinc/19/07/65/167190765.db2.gz AVKXPGGLMUMPDS-UHFFFAOYSA-N 0 1 243.690 2.409 20 0 BEADMN CC(C)OC[C@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000336691627 167269677 /nfs/dbraw/zinc/26/96/77/167269677.db2.gz BDASKXJSKOKUBH-GXTWGEPZSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)ONC(=O)[C@@H](C)c1cccs1 ZINC000295476169 167276797 /nfs/dbraw/zinc/27/67/97/167276797.db2.gz DLDFUPVAKPVNAK-QMMMGPOBSA-N 0 1 213.302 2.308 20 0 BEADMN CC(C)ONC(=O)[C@H](C)c1cccs1 ZINC000295476166 167279394 /nfs/dbraw/zinc/27/93/94/167279394.db2.gz DLDFUPVAKPVNAK-MRVPVSSYSA-N 0 1 213.302 2.308 20 0 BEADMN CC(C)O[C@@H]1C[C@@H](NCc2cocn2)C1(C)C ZINC000361025117 167281533 /nfs/dbraw/zinc/28/15/33/167281533.db2.gz JIFLMLJEVMGVKF-VXGBXAGGSA-N 0 1 238.331 2.356 20 0 BEADMN CC(C)Oc1ccccc1CN(C)C1CC(O)C1 ZINC000353480510 167309896 /nfs/dbraw/zinc/30/98/96/167309896.db2.gz ILSSKPYGTSQXHI-UHFFFAOYSA-N 0 1 249.354 2.429 20 0 BEADMN CC(C)SCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000336680730 167328686 /nfs/dbraw/zinc/32/86/86/167328686.db2.gz GSPGRCSUEVRAHT-PHIMTYICSA-N 0 1 217.378 2.237 20 0 BEADMN CC(C)[C@@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268928798 167352497 /nfs/dbraw/zinc/35/24/97/167352497.db2.gz DYTCSSBYTLDEPS-MWLCHTKSSA-N 0 1 235.331 2.195 20 0 BEADMN CC(C)[C@@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000049519919 167362468 /nfs/dbraw/zinc/36/24/68/167362468.db2.gz ANRQGRPXRINMNW-SECBINFHSA-N 0 1 221.304 2.059 20 0 BEADMN CC(C)[C@@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881397 167378083 /nfs/dbraw/zinc/37/80/83/167378083.db2.gz MNHBZAOJXSMANR-RISCZKNCSA-N 0 1 234.343 2.021 20 0 BEADMN CC(C)[C@@H](C)Nc1ccc2nn[nH]c2c1 ZINC000134318661 167386000 /nfs/dbraw/zinc/38/60/00/167386000.db2.gz SCBWMCONSRTNEV-MRVPVSSYSA-N 0 1 204.277 2.414 20 0 BEADMN CC(C)[C@@H](C)Nc1ccc2n[nH]nc2c1 ZINC000134318661 167386002 /nfs/dbraw/zinc/38/60/02/167386002.db2.gz SCBWMCONSRTNEV-MRVPVSSYSA-N 0 1 204.277 2.414 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2C[C@H]2C2CCCC2)n[nH]1 ZINC000651340758 410923496 /nfs/dbraw/zinc/92/34/96/410923496.db2.gz ILURNDFARFNGSV-STQMWFEESA-N 0 1 247.342 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)n[nH]1 ZINC000651340757 410924744 /nfs/dbraw/zinc/92/47/44/410924744.db2.gz ILURNDFARFNGSV-QWHCGFSZSA-N 0 1 247.342 2.161 20 0 BEADMN CC[C@H](C)N1N=C(c2ccccc2)CC1=O ZINC000104172090 410925487 /nfs/dbraw/zinc/92/54/87/410925487.db2.gz MZYQUPAXNMOGAV-JTQLQIEISA-N 0 1 216.284 2.422 20 0 BEADMN CCN(CC)Cc1ccc(F)cc1C(=O)OC ZINC000103465356 169791180 /nfs/dbraw/zinc/79/11/80/169791180.db2.gz GVPRVDUSSOYNDP-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN OC[C@H](CCF)NCc1cscc1Cl ZINC000652018782 410995382 /nfs/dbraw/zinc/99/53/82/410995382.db2.gz CEMNRQNKKTUEKG-QMMMGPOBSA-N 0 1 237.727 2.212 20 0 BEADMN CCc1cccc(CNCc2cnnn2CC)c1 ZINC000652032955 411082950 /nfs/dbraw/zinc/08/29/50/411082950.db2.gz PNXPSUDZXGWDLR-UHFFFAOYSA-N 0 1 244.342 2.150 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2CCC3)CCO1 ZINC000651610979 411129947 /nfs/dbraw/zinc/12/99/47/411129947.db2.gz BTDFRDAXOJQXJR-LBPRGKRZSA-N 0 1 231.339 2.396 20 0 BEADMN CN(CC(=O)Nc1ccccc1N)CC(C)(C)C ZINC000045064469 411144089 /nfs/dbraw/zinc/14/40/89/411144089.db2.gz MTYURVVJULSBKG-UHFFFAOYSA-N 0 1 249.358 2.185 20 0 BEADMN CC(C)c1nc(C[S@](=O)C2CCCC2)n[nH]1 ZINC000330221220 167655080 /nfs/dbraw/zinc/65/50/80/167655080.db2.gz LMWCBWDEZKXHAX-INIZCTEOSA-N 0 1 241.360 2.119 20 0 BEADMN Cc1cc(=O)n(Cc2cccc(Cl)c2)[nH]1 ZINC000109223841 411149708 /nfs/dbraw/zinc/14/97/08/411149708.db2.gz ZUQWNUJIQPJLSN-UHFFFAOYSA-N 0 1 222.675 2.448 20 0 BEADMN CN(CCCC1CCC1)Cc1cnccn1 ZINC000659991368 411158516 /nfs/dbraw/zinc/15/85/16/411158516.db2.gz PJOYEMQZKDYREN-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN COc1cccc(CN(C)[C@@H](C)CCO)c1F ZINC000652049823 411094823 /nfs/dbraw/zinc/09/48/23/411094823.db2.gz OSAPNFRDMMUYQA-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C ZINC000110471098 411097124 /nfs/dbraw/zinc/09/71/24/411097124.db2.gz WNQGKFMJQYZYCL-SECBINFHSA-N 0 1 232.283 2.444 20 0 BEADMN C[C@H](CCO)N(C)Cc1cc(F)c(F)cc1F ZINC000652048271 411099399 /nfs/dbraw/zinc/09/93/99/411099399.db2.gz JKDSLLHWWLAHFW-MRVPVSSYSA-N 0 1 247.260 2.307 20 0 BEADMN CCc1[nH]n(-c2ccccc2)c(=O)c1C ZINC000110454676 411099486 /nfs/dbraw/zinc/09/94/86/411099486.db2.gz JOROGPJVBSJLTF-SECBINFHSA-N 0 1 202.257 2.435 20 0 BEADMN C=Cn1cc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC000652064682 411103853 /nfs/dbraw/zinc/10/38/53/411103853.db2.gz XNDBHHZXUPFXLW-NSHDSACASA-N 0 1 239.269 2.215 20 0 BEADMN Cc1cc(C)c(Cn2ccnc2CN)c(C)c1 ZINC000053300613 411168622 /nfs/dbraw/zinc/16/86/22/411168622.db2.gz NOQNYAGZVPVWAY-UHFFFAOYSA-N 0 1 229.327 2.315 20 0 BEADMN CC(C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000656091263 411173750 /nfs/dbraw/zinc/17/37/50/411173750.db2.gz ALPXAWBWXLCECR-SECBINFHSA-N 0 1 247.298 2.332 20 0 BEADMN CCN(Cc1ccccc1)Cc1cnccn1 ZINC000656399086 411243040 /nfs/dbraw/zinc/24/30/40/411243040.db2.gz DSCZCXNXKQBCTH-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)o1 ZINC000656100146 411178061 /nfs/dbraw/zinc/17/80/61/411178061.db2.gz FQSHMARKZCIKBF-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN C[C@H](COCC1CC1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000652286753 411188145 /nfs/dbraw/zinc/18/81/45/411188145.db2.gz DNYFUDXVIGMTJP-NQBHXWOUSA-N 0 1 249.358 2.294 20 0 BEADMN CC(C)CC[C@H](O)CN1CC2(CC2(F)F)C1 ZINC000656154486 411188653 /nfs/dbraw/zinc/18/86/53/411188653.db2.gz KPMSAVPVNNVROQ-JTQLQIEISA-N 0 1 233.302 2.125 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](O)C2)cs1 ZINC000294580142 411194242 /nfs/dbraw/zinc/19/42/42/411194242.db2.gz QAKJAZBBYPVCCY-NSHDSACASA-N 0 1 211.330 2.013 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(F)cn1 ZINC000402086704 411195692 /nfs/dbraw/zinc/19/56/92/411195692.db2.gz YHYUTPXRHWJPPP-YWVKMMECSA-N 0 1 224.279 2.049 20 0 BEADMN Cc1cc([C@@H](C)NCCC2(CO)CCC2)no1 ZINC000652312154 411197729 /nfs/dbraw/zinc/19/77/29/411197729.db2.gz HILVYCZSYHEECX-LLVKDONJSA-N 0 1 238.331 2.186 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@@H]1CC=CCC1 ZINC000402197683 411199887 /nfs/dbraw/zinc/19/98/87/411199887.db2.gz IDLOPCQYPACNAG-LLVKDONJSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CSC[C@@H]1C ZINC000309304604 167773462 /nfs/dbraw/zinc/77/34/62/167773462.db2.gz AJUZQRQVFUUGRH-QWRGUYRKSA-N 0 1 239.388 2.305 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424190759 411245181 /nfs/dbraw/zinc/24/51/81/411245181.db2.gz GLDRWPNIPCRLFX-DOERSZECSA-N 0 1 235.302 2.391 20 0 BEADMN CC[C@H](NCc1ncc(C)cn1)[C@@H]1CCCCO1 ZINC000653874550 411204739 /nfs/dbraw/zinc/20/47/39/411204739.db2.gz ILULSUJMLPQRLC-STQMWFEESA-N 0 1 249.358 2.222 20 0 BEADMN CCc1ncc(CN[C@H]2COC3(CCC3)C2)o1 ZINC000658028108 411205468 /nfs/dbraw/zinc/20/54/68/411205468.db2.gz GUEJVQNDMNBPMY-SNVBAGLBSA-N 0 1 236.315 2.038 20 0 BEADMN Cc1[nH]n(-c2cc(F)c(F)cc2F)c(=O)c1C ZINC000112351432 411205523 /nfs/dbraw/zinc/20/55/23/411205523.db2.gz GUMLISOOIXMUIU-RXMQYKEDSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1[nH]n(-c2cc(F)c(F)cc2F)c(=O)c1C ZINC000112351433 411205627 /nfs/dbraw/zinc/20/56/27/411205627.db2.gz GUMLISOOIXMUIU-YFKPBYRVSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1ccncc1CN[C@@H]1CCCn2nccc21 ZINC000658029698 411206987 /nfs/dbraw/zinc/20/69/87/411206987.db2.gz LJNRGHHILDEAKJ-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN CC[C@H](NCc1cc(C)on1)[C@@H]1CCCCO1 ZINC000653881670 411207358 /nfs/dbraw/zinc/20/73/58/411207358.db2.gz ZYPQRGSDIMVKAC-STQMWFEESA-N 0 1 238.331 2.420 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000652449646 411245983 /nfs/dbraw/zinc/24/59/83/411245983.db2.gz ISKMUOUZRYQRPA-QWRGUYRKSA-N 0 1 223.316 2.116 20 0 BEADMN CC(C)(C)OCCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000652350918 411210807 /nfs/dbraw/zinc/21/08/07/411210807.db2.gz VZMQPKQSQNMDSW-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H]1C[C@H](NC2CC(C)(C)C2)c2ncnn21 ZINC000658102106 411246018 /nfs/dbraw/zinc/24/60/18/411246018.db2.gz NZDOPDHWYSBWPY-WPRPVWTQSA-N 0 1 220.320 2.062 20 0 BEADMN COC1(CC[N@@H+](CCC(=O)[O-])C(C)C)CCC1 ZINC000310130610 411216941 /nfs/dbraw/zinc/21/69/41/411216941.db2.gz AHFPTKNWQACNHP-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H](O)CN(Cc1ccc(Cl)cn1)C1CC1 ZINC000653902512 411218869 /nfs/dbraw/zinc/21/88/69/411218869.db2.gz VISQRMPEEFLPEJ-SECBINFHSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1nsc(C)c1CN(C[C@H](C)O)C1CC1 ZINC000653904428 411220146 /nfs/dbraw/zinc/22/01/46/411220146.db2.gz SXFHPOWOXZRJLD-QMMMGPOBSA-N 0 1 240.372 2.105 20 0 BEADMN C[C@H]1CN(Cc2cnc[nH]2)CC2(CCCCC2)O1 ZINC000653904702 411220546 /nfs/dbraw/zinc/22/05/46/411220546.db2.gz LKWMLASGLPGKKE-LBPRGKRZSA-N 0 1 249.358 2.333 20 0 BEADMN FC1(F)CC12CN(Cc1ccc3nc[nH]c3c1)C2 ZINC000656265789 411221676 /nfs/dbraw/zinc/22/16/76/411221676.db2.gz IMQPQENXEJLHNH-UHFFFAOYSA-N 0 1 249.264 2.404 20 0 BEADMN CC1(C)CCC[C@@H](CN2CCn3nncc3C2)C1 ZINC000656267312 411221773 /nfs/dbraw/zinc/22/17/73/411221773.db2.gz FRPKBRSLOANWHP-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)[O-] ZINC000652456374 411246943 /nfs/dbraw/zinc/24/69/43/411246943.db2.gz XGFWDTGEACSKFY-UHFFFAOYSA-N 0 1 236.315 2.030 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1F ZINC000652386709 411224348 /nfs/dbraw/zinc/22/43/48/411224348.db2.gz FPKOQGNDYFEUPJ-NSHDSACASA-N 0 1 225.263 2.293 20 0 BEADMN COc1nccnc1CN1CCC2(CCC2)CC1 ZINC000648581567 411225870 /nfs/dbraw/zinc/22/58/70/411225870.db2.gz YFKJAACEPLVZEH-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000652400973 411229705 /nfs/dbraw/zinc/22/97/05/411229705.db2.gz CQOZLAXDZNPNQK-BXKDBHETSA-N 0 1 237.274 2.293 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C(C)(C)O)c(C)o1 ZINC000660110715 411233414 /nfs/dbraw/zinc/23/34/14/411233414.db2.gz KCNYSCAQFFXXOK-GFCCVEGCSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CO)C2CCC2)cs1 ZINC000658086608 411237173 /nfs/dbraw/zinc/23/71/73/411237173.db2.gz GLLRZCXTWLXVEU-LDYMZIIASA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)CCC(C)(C)C ZINC000653775909 411166181 /nfs/dbraw/zinc/16/61/81/411166181.db2.gz JRNQVTJHTPPIJX-SNVBAGLBSA-N 0 1 236.363 2.488 20 0 BEADMN CCCCn1cc([C@H](N)c2ccccc2)nn1 ZINC000656442644 411261867 /nfs/dbraw/zinc/26/18/67/411261867.db2.gz CNAFBOVLOACSJQ-CYBMUJFWSA-N 0 1 230.315 2.126 20 0 BEADMN CC/C=C/CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513469 411262542 /nfs/dbraw/zinc/26/25/42/411262542.db2.gz BKCOSIYKBHDPFM-HORCIZIBSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@H](C)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515301 411262624 /nfs/dbraw/zinc/26/26/24/411262624.db2.gz XKUCSKXNNAAPPB-ZMLRMANQSA-N 0 1 225.332 2.075 20 0 BEADMN OC/C=C\CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000658139014 411263035 /nfs/dbraw/zinc/26/30/35/411263035.db2.gz PSPJUJMRDOVVGS-ZFDPJTLLSA-N 0 1 249.358 2.169 20 0 BEADMN OC/C=C/CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000658139011 411263847 /nfs/dbraw/zinc/26/38/47/411263847.db2.gz PSPJUJMRDOVVGS-IHVVCDCBSA-N 0 1 249.358 2.169 20 0 BEADMN C[C@H](NC/C=C/CO)c1cccc(F)c1F ZINC000658140575 411264884 /nfs/dbraw/zinc/26/48/84/411264884.db2.gz SROHYGISAZSWRO-HPOULIHZSA-N 0 1 227.254 2.164 20 0 BEADMN OC/C=C/CN[C@@H]1CCc2c1c(F)ccc2F ZINC000658142671 411265762 /nfs/dbraw/zinc/26/57/62/411265762.db2.gz YHGQSJYNLTUFJS-YYRQZUAOSA-N 0 1 239.265 2.090 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)C2(CO)CC2)cs1 ZINC000658155801 411269139 /nfs/dbraw/zinc/26/91/39/411269139.db2.gz RBYJWJYRQZELFB-DTWKUNHWSA-N 0 1 240.372 2.263 20 0 BEADMN CC1(C)CCCN(c2ccncc2C(N)=O)CC1 ZINC000302135081 411275573 /nfs/dbraw/zinc/27/55/73/411275573.db2.gz DJTSKSZPPJERPV-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC)CCC(=O)[O-] ZINC000659788122 411275690 /nfs/dbraw/zinc/27/56/90/411275690.db2.gz IOVNMQJEZLBUAS-VIFPVBQESA-N 0 1 237.290 2.464 20 0 BEADMN C[C@H](NCCO[C@@H]1CC1(F)F)c1nccs1 ZINC000658167594 411278179 /nfs/dbraw/zinc/27/81/79/411278179.db2.gz FCWHEKJLPGDSBE-JGVFFNPUSA-N 0 1 248.298 2.218 20 0 BEADMN C[C@H](O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000649418967 411284319 /nfs/dbraw/zinc/28/43/19/411284319.db2.gz WIRIAZIHVUJOLM-GUBZILKMSA-N 0 1 239.281 2.420 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1=CCCC1)C1CCC1 ZINC000659795440 411286349 /nfs/dbraw/zinc/28/63/49/411286349.db2.gz MEARHYIORWKFMT-SNVBAGLBSA-N 0 1 223.316 2.424 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1=CCCC1)C1CCC1 ZINC000659795439 411286670 /nfs/dbraw/zinc/28/66/70/411286670.db2.gz MEARHYIORWKFMT-JTQLQIEISA-N 0 1 223.316 2.424 20 0 BEADMN COC[C@@H](CNc1ccc2cnccc2c1)OC ZINC000653469834 411290791 /nfs/dbraw/zinc/29/07/91/411290791.db2.gz MDBXSLXRYUIORR-CQSZACIVSA-N 0 1 246.310 2.308 20 0 BEADMN CCNCc1cn(C[C@H]2CCC[C@H](C)C2)nn1 ZINC000383729883 411293010 /nfs/dbraw/zinc/29/30/10/411293010.db2.gz WQVKKUKKKGTDAE-RYUDHWBXSA-N 0 1 236.363 2.214 20 0 BEADMN CCNCc1cn(C[C@H]2CCC[C@@H](C)C2)nn1 ZINC000383729874 411293050 /nfs/dbraw/zinc/29/30/50/411293050.db2.gz WQVKKUKKKGTDAE-NEPJUHHUSA-N 0 1 236.363 2.214 20 0 BEADMN CCn1ccc(CN[C@@H]2CC[C@@H](C)SC2)n1 ZINC000655777687 411296883 /nfs/dbraw/zinc/29/68/83/411296883.db2.gz WCNFWKBOPOLXDA-ZYHUDNBSSA-N 0 1 239.388 2.277 20 0 BEADMN CCn1ccc(CN[C@H]2CC[C@@H](C)SC2)n1 ZINC000655777684 411297109 /nfs/dbraw/zinc/29/71/09/411297109.db2.gz WCNFWKBOPOLXDA-PWSUYJOCSA-N 0 1 239.388 2.277 20 0 BEADMN COc1ccnc(CN[C@@H]2C[C@@H](C)[C@@H]2C)c1F ZINC000658220963 411300303 /nfs/dbraw/zinc/30/03/03/411300303.db2.gz BZYXDUQHUZMADJ-KXUCPTDWSA-N 0 1 238.306 2.363 20 0 BEADMN COc1ccnc(CN[C@@H]2C[C@H](C)[C@@H]2C)c1F ZINC000658220964 411300452 /nfs/dbraw/zinc/30/04/52/411300452.db2.gz BZYXDUQHUZMADJ-LPEHRKFASA-N 0 1 238.306 2.363 20 0 BEADMN C[C@@H](NC[C@]1(C)CC1(F)F)c1ccn(C)n1 ZINC000658221351 411301301 /nfs/dbraw/zinc/30/13/01/411301301.db2.gz LIOFBHNLSYASHY-SCZZXKLOSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H](Cc1ccco1)c1nc(C2(N)CCC2)no1 ZINC000656561043 411301337 /nfs/dbraw/zinc/30/13/37/411301337.db2.gz OVSNCPDGMVVVGW-SECBINFHSA-N 0 1 247.298 2.347 20 0 BEADMN Cc1nc(CN[C@@H](CO)C2CCCCC2)co1 ZINC000660237457 411302690 /nfs/dbraw/zinc/30/26/90/411302690.db2.gz DHEPJVHPELKUBQ-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN CC1(C)CC[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000656560655 411304142 /nfs/dbraw/zinc/30/41/42/411304142.db2.gz DSCJGBNUZTWEPV-DTWKUNHWSA-N 0 1 221.304 2.398 20 0 BEADMN O=C1CCCC12CCN(Cc1ccccn1)CC2 ZINC000661955409 411331119 /nfs/dbraw/zinc/33/11/19/411331119.db2.gz XNUZMPNLLVEYAZ-UHFFFAOYSA-N 0 1 244.338 2.417 20 0 BEADMN Cc1ccccc1C(=O)N1CCNC[C@@H]1C(C)C ZINC000062622137 411310444 /nfs/dbraw/zinc/31/04/44/411310444.db2.gz VZKJPLFGWSUABS-CQSZACIVSA-N 0 1 246.354 2.065 20 0 BEADMN Cc1ccccc1C(=O)N1CCNC[C@H]1C(C)C ZINC000062622139 411310517 /nfs/dbraw/zinc/31/05/17/411310517.db2.gz VZKJPLFGWSUABS-AWEZNQCLSA-N 0 1 246.354 2.065 20 0 BEADMN Cc1ncccc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000311053489 411310527 /nfs/dbraw/zinc/31/05/27/411310527.db2.gz IOKIFNAKNGGFEY-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN COc1cc(C[N@@H+](C)[C@H](C)C2CC2)sn1 ZINC000659826781 411310656 /nfs/dbraw/zinc/31/06/56/411310656.db2.gz OLBTYYKNBXOOJM-MRVPVSSYSA-N 0 1 226.345 2.382 20 0 BEADMN COC1(C)CN(C[C@H]2CCOc3ccccc32)C1 ZINC000656622479 411311693 /nfs/dbraw/zinc/31/16/93/411311693.db2.gz FZQBVGMXZPXOLQ-GFCCVEGCSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@H](NC[C@H](CO)CC1CC1)c1cscn1 ZINC000658253007 411315231 /nfs/dbraw/zinc/31/52/31/411315231.db2.gz MRRUQKIOTHTNDC-GXSJLCMTSA-N 0 1 240.372 2.202 20 0 BEADMN CCCCN(Cc1cc(OC)no1)C1CC1 ZINC000659842307 411331972 /nfs/dbraw/zinc/33/19/72/411331972.db2.gz ZJUJNHBJPCBHAE-UHFFFAOYSA-N 0 1 224.304 2.448 20 0 BEADMN C[C@H](O)CCNc1ccc2cnccc2c1 ZINC000656654947 411317534 /nfs/dbraw/zinc/31/75/34/411317534.db2.gz KBKWJCTWVDAIBY-JTQLQIEISA-N 0 1 216.284 2.418 20 0 BEADMN C[C@H](NCC1=CCCC1)c1nccn1C ZINC000658291408 411324648 /nfs/dbraw/zinc/32/46/48/411324648.db2.gz ONSGNXZFPWSUBP-JTQLQIEISA-N 0 1 205.305 2.181 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)CC1CCCC1 ZINC000652466727 411249808 /nfs/dbraw/zinc/24/98/08/411249808.db2.gz LVDJUDFPTMMQHP-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CO[C@@H](CC(C)C)C[N@@H+](CCC(=O)[O-])C(C)C ZINC000652477822 411251650 /nfs/dbraw/zinc/25/16/50/411251650.db2.gz PFGCXRBETHFNBS-LBPRGKRZSA-N 0 1 245.363 2.233 20 0 BEADMN COC(C)(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000652485055 411254003 /nfs/dbraw/zinc/25/40/03/411254003.db2.gz PJFVSXXDWASZCD-NSHDSACASA-N 0 1 245.363 2.233 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c(C)n1 ZINC000652480342 411254759 /nfs/dbraw/zinc/25/47/59/411254759.db2.gz BDJOCWSGGFNHBG-AWEZNQCLSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1cc([C@H](C)NC/C=C/CO)c(C)o1 ZINC000658132666 411256927 /nfs/dbraw/zinc/25/69/27/411256927.db2.gz APCRESVROLZNCQ-YEZKRMTDSA-N 0 1 209.289 2.096 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C\CO)c(C)o1 ZINC000658132664 411256958 /nfs/dbraw/zinc/25/69/58/411256958.db2.gz APCRESVROLZNCQ-UMCURTJPSA-N 0 1 209.289 2.096 20 0 BEADMN Cc1ccnc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000652488698 411257551 /nfs/dbraw/zinc/25/75/51/411257551.db2.gz DPQZTJMYJFYCSI-NSHDSACASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])nc1 ZINC000652502584 411258884 /nfs/dbraw/zinc/25/88/84/411258884.db2.gz FMILNRAYPOPFHZ-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CC1(C)C[C@]1(C)N[C@H]1CCn2ccnc21 ZINC000658300268 411326841 /nfs/dbraw/zinc/32/68/41/411326841.db2.gz CQQPFRMJPWMOJN-CABZTGNLSA-N 0 1 205.305 2.106 20 0 BEADMN CC(C)[N@@H+](CCCC1CCC1)CC(=O)[O-] ZINC000656756053 411351087 /nfs/dbraw/zinc/35/10/87/411351087.db2.gz HIPAFOLBTCAFIO-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](C[N@@H+](C)CCCC1CCC1)C(=O)[O-] ZINC000656754668 411351149 /nfs/dbraw/zinc/35/11/49/411351149.db2.gz ASPNHGWEOOPESP-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CC1(CO)CN(Cc2cccc3cnccc32)C1 ZINC000656775775 411356940 /nfs/dbraw/zinc/35/69/40/411356940.db2.gz OTJOQWJGQHTLII-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN Fc1ccc(CN2CCC3(COC3)C2)cc1F ZINC000662075642 411357662 /nfs/dbraw/zinc/35/76/62/411357662.db2.gz HMIDLYLHEZWLRR-UHFFFAOYSA-N 0 1 239.265 2.187 20 0 BEADMN CCc1ccc(C)nc1NCc1cn[nH]c1 ZINC000656777843 411357918 /nfs/dbraw/zinc/35/79/18/411357918.db2.gz DZPULEXWQCSBKS-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN C[C@@H](Cc1ccc(O)cc1)NCc1ccon1 ZINC000130606150 411359302 /nfs/dbraw/zinc/35/93/02/411359302.db2.gz PZIVGXMSCDLCJH-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN Cc1cc(NC[C@@H](CC(=O)[O-])C2CC2)nc(C)[nH+]1 ZINC000656785313 411361463 /nfs/dbraw/zinc/36/14/63/411361463.db2.gz WDJMURGXAWXOHF-LLVKDONJSA-N 0 1 249.314 2.006 20 0 BEADMN CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656768407 411363643 /nfs/dbraw/zinc/36/36/43/411363643.db2.gz XYRFULUWPWUKKM-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccon1 ZINC000662127791 411363881 /nfs/dbraw/zinc/36/38/81/411363881.db2.gz FOTBPHJEGAWGSI-CLYYMRHHSA-N 0 1 206.289 2.438 20 0 BEADMN C1CN[C@H](c2noc([C@H]3CCCS3)n2)C1 ZINC000070004596 411364676 /nfs/dbraw/zinc/36/46/76/411364676.db2.gz DRDWAUOPSRGOOB-JGVFFNPUSA-N 0 1 225.317 2.062 20 0 BEADMN C1CN[C@@H](c2noc([C@@H]3CCCS3)n2)C1 ZINC000070004588 411365237 /nfs/dbraw/zinc/36/52/37/411365237.db2.gz DRDWAUOPSRGOOB-SFYZADRCSA-N 0 1 225.317 2.062 20 0 BEADMN CCC[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000070947184 411370201 /nfs/dbraw/zinc/37/02/01/411370201.db2.gz IPOBSKWBIQNWCK-DTWKUNHWSA-N 0 1 209.293 2.398 20 0 BEADMN c1cc(Cc2nc([C@H]3CCCN3)no2)cs1 ZINC000070947171 411370243 /nfs/dbraw/zinc/37/02/43/411370243.db2.gz JARQGQQDVWNAKR-SECBINFHSA-N 0 1 235.312 2.146 20 0 BEADMN Cc1c[nH]nc1CN[C@@H]1CCc2cc(N)ccc21 ZINC000656791259 411371037 /nfs/dbraw/zinc/37/10/37/411371037.db2.gz GRXBGAIEFMDSQY-CYBMUJFWSA-N 0 1 242.326 2.077 20 0 BEADMN COCCC1(C)CN(Cc2ccc(O)cc2)C1 ZINC000656796730 411372049 /nfs/dbraw/zinc/37/20/49/411372049.db2.gz UPQDWMRDTIORSQ-UHFFFAOYSA-N 0 1 235.327 2.251 20 0 BEADMN CC[C@H](CC(F)F)CN1CCn2cncc2C1 ZINC000660584672 411338968 /nfs/dbraw/zinc/33/89/68/411338968.db2.gz UIANEIOMXQZZGU-SNVBAGLBSA-N 0 1 243.301 2.380 20 0 BEADMN CCN1CC[C@@H](N(C)Cc2cccc(C)c2)C1=O ZINC000659849879 411342119 /nfs/dbraw/zinc/34/21/19/411342119.db2.gz SZKSPESKVSDOBJ-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN CC(C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000062104191 411344157 /nfs/dbraw/zinc/34/41/57/411344157.db2.gz JURKGGAANXPJPE-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN CC1(CCNC(=O)c2ccc3cncn3c2)CC1 ZINC000284572761 168020640 /nfs/dbraw/zinc/02/06/40/168020640.db2.gz FUKWRAUQGABSRL-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CC1(NC(=O)c2ccc3cncn3c2)CCCC1 ZINC000283278896 168061595 /nfs/dbraw/zinc/06/15/95/168061595.db2.gz DRPGERHJLWHKRJ-UHFFFAOYSA-N 0 1 243.310 2.397 20 0 BEADMN CC1=C(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CCC1 ZINC000334375722 168075290 /nfs/dbraw/zinc/07/52/90/168075290.db2.gz DLSXDKHDJPVNTL-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CC1=C(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)CCC1 ZINC000336250588 168077023 /nfs/dbraw/zinc/07/70/23/168077023.db2.gz NQGKBQQXKJWKDU-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC1=C(C(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000333386052 168079379 /nfs/dbraw/zinc/07/93/79/168079379.db2.gz BQKWPRGSENLNTF-LBPRGKRZSA-N 0 1 245.326 2.404 20 0 BEADMN CC1=C(C)CN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000280805057 168083718 /nfs/dbraw/zinc/08/37/18/168083718.db2.gz SLYYTBFBNAWLOE-AWEZNQCLSA-N 0 1 244.338 2.255 20 0 BEADMN CC1=C(C)CN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000292657441 168084551 /nfs/dbraw/zinc/08/45/51/168084551.db2.gz BRGHWBIYSVZSIN-UHFFFAOYSA-N 0 1 234.347 2.470 20 0 BEADMN Cc1cc(CN2CCC(C)=C(C)C2)ncn1 ZINC000336515484 168085624 /nfs/dbraw/zinc/08/56/24/168085624.db2.gz PCNUUKJNYBQAGG-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN CC1=C(C)CN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000361618372 168086456 /nfs/dbraw/zinc/08/64/56/168086456.db2.gz JAELKHADLLZQJN-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662217217 411378571 /nfs/dbraw/zinc/37/85/71/411378571.db2.gz WWUQOPUYGWPEDG-UJPOAAIJSA-N 0 1 237.343 2.075 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1ncn(C)n1 ZINC000276747557 168103332 /nfs/dbraw/zinc/10/33/32/168103332.db2.gz LHPARKYFNUPIRE-YNEHKIRRSA-N 0 1 248.374 2.458 20 0 BEADMN CC1=CCN(Cc2cnn3ccccc23)CC1 ZINC000271198586 168114248 /nfs/dbraw/zinc/11/42/48/168114248.db2.gz SHDBJMMOQUCKOO-UHFFFAOYSA-N 0 1 227.311 2.486 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000290312036 168127933 /nfs/dbraw/zinc/12/79/33/168127933.db2.gz AQRQFTQLOINFNP-CMPLNLGQSA-N 0 1 234.347 2.229 20 0 BEADMN CC1CC(NC(=O)c2ccc(F)cc2O)C1 ZINC000228311708 168143797 /nfs/dbraw/zinc/14/37/97/168143797.db2.gz KAUPUIAWBGGXKF-UHFFFAOYSA-N 0 1 223.247 2.060 20 0 BEADMN C[C@@H](NC(=O)C=C1CCC(C)CC1)c1nnc[nH]1 ZINC000175932931 168149174 /nfs/dbraw/zinc/14/91/74/168149174.db2.gz ZNGCTCKBUBJGHT-QVDQXJPCSA-N 0 1 248.330 2.118 20 0 BEADMN CC1CCC(CNc2ccncc2C(N)=O)CC1 ZINC000302235938 168156565 /nfs/dbraw/zinc/15/65/65/168156565.db2.gz VINAPKUCJWGASM-UHFFFAOYSA-N 0 1 247.342 2.419 20 0 BEADMN CC1CCC(NCc2ncccn2)CC1 ZINC000054458953 168163696 /nfs/dbraw/zinc/16/36/96/168163696.db2.gz DJEWVPAAJKXMFF-UHFFFAOYSA-N 0 1 205.305 2.145 20 0 BEADMN CCC(=CC(=O)NC1(c2nnc[nH]2)CCC1)CC ZINC000194296872 168194360 /nfs/dbraw/zinc/19/43/60/168194360.db2.gz MJDQTZDRMFEBQB-UHFFFAOYSA-N 0 1 248.330 2.047 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CC1CC(F)(F)C1 ZINC000450797643 411389273 /nfs/dbraw/zinc/38/92/73/411389273.db2.gz UNHIDIQXSJGYHY-NSHDSACASA-N 0 1 247.285 2.059 20 0 BEADMN CCC(=O)CCN(C)Cc1ccoc1C ZINC000190198454 168200709 /nfs/dbraw/zinc/20/07/09/168200709.db2.gz BHUKXXVQLQYFKW-UHFFFAOYSA-N 0 1 209.289 2.389 20 0 BEADMN CCC(=O)CCN1CCCc2occc2C1 ZINC000288752369 168202311 /nfs/dbraw/zinc/20/23/11/168202311.db2.gz IFARVCIWVONJMD-UHFFFAOYSA-N 0 1 221.300 2.397 20 0 BEADMN CCC(=O)CCN1CCc2sccc2C1 ZINC000190176344 168203947 /nfs/dbraw/zinc/20/39/47/168203947.db2.gz JDQZEBJCMSWQGL-UHFFFAOYSA-N 0 1 223.341 2.475 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2nccs2)C1 ZINC000656860547 411385604 /nfs/dbraw/zinc/38/56/04/411385604.db2.gz JYQUQCVGWYJEGZ-AOOOYVTPSA-N 0 1 226.345 2.189 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000336543370 168271515 /nfs/dbraw/zinc/27/15/15/168271515.db2.gz UWSLSVHZVPOGLR-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000659786712 411454980 /nfs/dbraw/zinc/45/49/80/411454980.db2.gz YCPXKFQIJZHGKP-SFYZADRCSA-N 0 1 223.263 2.073 20 0 BEADMN CCC(C)(C)NC(=O)c1ccc(CN(C)C)nc1 ZINC000339245801 168297017 /nfs/dbraw/zinc/29/70/17/168297017.db2.gz PAJHFFLWLXAWNW-UHFFFAOYSA-N 0 1 249.358 2.062 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000659794784 411455597 /nfs/dbraw/zinc/45/55/97/411455597.db2.gz UJAQPJDHHKJQLI-RKDXNWHRSA-N 0 1 237.290 2.463 20 0 BEADMN CCC(C)(C)c1nc(C2(N)CCCC2)no1 ZINC000054404371 168305666 /nfs/dbraw/zinc/30/56/66/168305666.db2.gz GTTFQYDTEQUOSV-UHFFFAOYSA-N 0 1 223.320 2.485 20 0 BEADMN Cc1c[nH]c(CNCCOc2ccc(F)cc2)n1 ZINC000657299145 411456031 /nfs/dbraw/zinc/45/60/31/411456031.db2.gz YJJCVJGKOQBHPU-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCC1CCC1 ZINC000659794777 411456109 /nfs/dbraw/zinc/45/61/09/411456109.db2.gz SJKRIHFYMYETQB-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000659801128 411457843 /nfs/dbraw/zinc/45/78/43/411457843.db2.gz DSDBZEIQGLXFRH-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799969 411457878 /nfs/dbraw/zinc/45/78/78/411457878.db2.gz LMECEEQNRPPYJI-NXEZZACHSA-N 0 1 249.310 2.382 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799970 411457967 /nfs/dbraw/zinc/45/79/67/411457967.db2.gz LMECEEQNRPPYJI-UWVGGRQHSA-N 0 1 249.310 2.382 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](CCC3CC3)C[C@H]1CCCC2 ZINC000659800039 411458210 /nfs/dbraw/zinc/45/82/10/411458210.db2.gz RDDWRGHLUMQJRE-TZMCWYRMSA-N 0 1 237.343 2.363 20 0 BEADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000657323839 411464474 /nfs/dbraw/zinc/46/44/74/411464474.db2.gz UCUGUYBRGVDYRO-VLEAKVRGSA-N 0 1 235.331 2.471 20 0 BEADMN CO[C@@H](CN1CCO[C@@H](C)C1)C1CCCCC1 ZINC000659811134 411460076 /nfs/dbraw/zinc/46/00/76/411460076.db2.gz IRCGKBJDZWSZNX-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN c1ccc2c(c1)CC[C@H]2CCN1CCOCC1 ZINC000659812638 411460737 /nfs/dbraw/zinc/46/07/37/411460737.db2.gz CIUKUAIHSRGZSI-AWEZNQCLSA-N 0 1 231.339 2.439 20 0 BEADMN C[C@@H]1CN(CCOCc2ccccc2)C[C@H](C)O1 ZINC000659814006 411461104 /nfs/dbraw/zinc/46/11/04/411461104.db2.gz LYYSEQLIESRKFK-OKILXGFUSA-N 0 1 249.354 2.312 20 0 BEADMN CCN(Cc1ccccc1)[C@@H]1CCN(CC)C1=O ZINC000659815012 411461353 /nfs/dbraw/zinc/46/13/53/411461353.db2.gz YQSHETKBRWBPKQ-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN CCc1nc([C@@H](C)Sc2ncc(C)cn2)n[nH]1 ZINC000657245112 411425711 /nfs/dbraw/zinc/42/57/11/411425711.db2.gz ULXWPNUBKDYVNT-MRVPVSSYSA-N 0 1 249.343 2.319 20 0 BEADMN CC(C)CCN(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052882241 411430499 /nfs/dbraw/zinc/43/04/99/411430499.db2.gz HRFQABQTENCUOM-OAHLLOKOSA-N 0 1 248.370 2.365 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCOCc1ccccc1 ZINC000659821420 411462911 /nfs/dbraw/zinc/46/29/11/411462911.db2.gz NMDDYCYCYJJFLY-KGLIPLIRSA-N 0 1 249.354 2.312 20 0 BEADMN CCC[C@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881036 411430774 /nfs/dbraw/zinc/43/07/74/411430774.db2.gz RPUFSIBZQGOFGD-SMDDNHRTSA-N 0 1 234.343 2.165 20 0 BEADMN Cc1nc2c(n1Cc1cnc(C)nc1)CCCC2 ZINC000657261563 411434287 /nfs/dbraw/zinc/43/42/87/411434287.db2.gz FZCHRYBITCSCJW-UHFFFAOYSA-N 0 1 242.326 2.217 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@H]2CO)cn1 ZINC000405632351 411437226 /nfs/dbraw/zinc/43/72/26/411437226.db2.gz MXMRTKRMTCCKLV-AWEZNQCLSA-N 0 1 234.343 2.127 20 0 BEADMN Cc1nc(CSc2ncc(C)cc2C)n[nH]1 ZINC000657280196 411440952 /nfs/dbraw/zinc/44/09/52/411440952.db2.gz HTHHUJTWXFNYBL-UHFFFAOYSA-N 0 1 234.328 2.417 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H]3CCC[C@H]32)on1 ZINC000653625647 411450297 /nfs/dbraw/zinc/45/02/97/411450297.db2.gz LIEVNZNOCOAGBR-ZWNOBZJWSA-N 0 1 234.299 2.252 20 0 BEADMN CC(C)n1ccnc1CNCCc1ccco1 ZINC000657289359 411450600 /nfs/dbraw/zinc/45/06/00/411450600.db2.gz PQYDGAXLMKAMOB-UHFFFAOYSA-N 0 1 233.315 2.389 20 0 BEADMN Cn1ccnc1CN1CCSC(C)(C)CC1 ZINC000279796005 411450964 /nfs/dbraw/zinc/45/09/64/411450964.db2.gz WEYXMOWAHVAQGL-UHFFFAOYSA-N 0 1 239.388 2.138 20 0 BEADMN C[C@@H](NCc1cnc2n1CCC2)c1cccnc1 ZINC000657291981 411453526 /nfs/dbraw/zinc/45/35/26/411453526.db2.gz FGYUZKOHMMKUNZ-LLVKDONJSA-N 0 1 242.326 2.075 20 0 BEADMN Cc1nc(CN2C3CCC2CC3)c(C)o1 ZINC000659835436 411469486 /nfs/dbraw/zinc/46/94/86/411469486.db2.gz JSMYJVIOEQEIQP-UHFFFAOYSA-N 0 1 206.289 2.418 20 0 BEADMN Cc1c[nH]c(CNCC(C)(C)OCC2CC2)n1 ZINC000657492278 411532910 /nfs/dbraw/zinc/53/29/10/411532910.db2.gz BRNAHOBIXLDCCL-UHFFFAOYSA-N 0 1 237.347 2.013 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CS[C@@H](C)C1 ZINC000657491566 411532969 /nfs/dbraw/zinc/53/29/69/411532969.db2.gz XDBXCOYIDZONCV-WDEREUQCSA-N 0 1 239.388 2.448 20 0 BEADMN CN(CCO[C@@H]1CC1(F)F)Cc1ccoc1 ZINC000659852989 411477242 /nfs/dbraw/zinc/47/72/42/411477242.db2.gz RJHWQCIMEAANCF-SNVBAGLBSA-N 0 1 231.242 2.136 20 0 BEADMN CN(CCO[C@H]1CC1(F)F)Cc1ccoc1 ZINC000659852988 411477350 /nfs/dbraw/zinc/47/73/50/411477350.db2.gz RJHWQCIMEAANCF-JTQLQIEISA-N 0 1 231.242 2.136 20 0 BEADMN Cc1occc1CN(C)CCO[C@@H]1CC1(F)F ZINC000659854289 411478741 /nfs/dbraw/zinc/47/87/41/411478741.db2.gz XGHYVBAQXHCAAK-LLVKDONJSA-N 0 1 245.269 2.444 20 0 BEADMN CC(C)(C)O[C@H]1C[C@H](N[C@@H]2CCn3ccnc32)C1 ZINC000655838873 411533377 /nfs/dbraw/zinc/53/33/77/411533377.db2.gz JXHZLDRIBRZFEF-IJLUTSLNSA-N 0 1 249.358 2.264 20 0 BEADMN CC[C@H]1C[C@H](NCc2ccn(C(C)C)n2)CO1 ZINC000657371163 411484432 /nfs/dbraw/zinc/48/44/32/411484432.db2.gz OTVIUYORQVYKTG-STQMWFEESA-N 0 1 237.347 2.121 20 0 BEADMN CO[C@](C)([C@H](C)NCc1nc(C)c[nH]1)C1CC1 ZINC000657490579 411533531 /nfs/dbraw/zinc/53/35/31/411533531.db2.gz KYPQQCYNWMHSFZ-GXFFZTMASA-N 0 1 237.347 2.011 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2nc(C)c[nH]2)C1(C)C ZINC000657384372 411489201 /nfs/dbraw/zinc/48/92/01/411489201.db2.gz LSRPVIBELMBFFT-GXFFZTMASA-N 0 1 237.347 2.011 20 0 BEADMN FC1(F)CC[C@@H](NCc2cc3n(n2)CCC3)C1 ZINC000657397636 411494585 /nfs/dbraw/zinc/49/45/85/411494585.db2.gz CQAAKNPLINUSNF-SECBINFHSA-N 0 1 241.285 2.107 20 0 BEADMN OCC1(NCc2ccc(F)c(F)c2F)CCC1 ZINC000657401179 411496034 /nfs/dbraw/zinc/49/60/34/411496034.db2.gz SFPJPLGPFSMVME-UHFFFAOYSA-N 0 1 245.244 2.109 20 0 BEADMN CCc1nnc([C@@H](C)N(CC)CC2CC2)[nH]1 ZINC000659922049 411499381 /nfs/dbraw/zinc/49/93/81/411499381.db2.gz ZYEDAAKQPDSMAE-SECBINFHSA-N 0 1 222.336 2.160 20 0 BEADMN CC(C)=CCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000659925272 411500069 /nfs/dbraw/zinc/50/00/69/411500069.db2.gz BNTUABQKDIEHNS-RYUDHWBXSA-N 0 1 247.404 2.096 20 0 BEADMN C[C@@]1(NCc2ccc(F)c(F)c2F)CCOC1 ZINC000657416395 411501288 /nfs/dbraw/zinc/50/12/88/411501288.db2.gz CAPCOLMSAWWWLD-GFCCVEGCSA-N 0 1 245.244 2.373 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCCO2)[nH]c1C ZINC000657427751 411503893 /nfs/dbraw/zinc/50/38/93/411503893.db2.gz FTGOMKDRWCESDU-NEPJUHHUSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000657428159 411504185 /nfs/dbraw/zinc/50/41/85/411504185.db2.gz IGPVKGCHPBCFLZ-SNVBAGLBSA-N 0 1 237.347 2.154 20 0 BEADMN CC[C@H](O)[C@H]1CCCCN1Cc1coc(C)n1 ZINC000659945055 411506262 /nfs/dbraw/zinc/50/62/62/411506262.db2.gz ZAPBGKGRSCKACR-OLZOCXBDSA-N 0 1 238.331 2.108 20 0 BEADMN OC[C@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659947682 411507651 /nfs/dbraw/zinc/50/76/51/411507651.db2.gz PFISIYNQOZIHGN-JTQLQIEISA-N 0 1 248.351 2.111 20 0 BEADMN CCN1CC[C@@H](N2Cc3ccccc3[C@H]2C)C1=O ZINC000659977662 411516876 /nfs/dbraw/zinc/51/68/76/411516876.db2.gz UJEHNSICFJLWEF-BXUZGUMPSA-N 0 1 244.338 2.184 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000659998091 411523499 /nfs/dbraw/zinc/52/34/99/411523499.db2.gz MWOAUOKQGRQMJG-GARJFASQSA-N 0 1 234.347 2.160 20 0 BEADMN CC(C)n1ccnc1CNCC[C@@H](C)F ZINC000657475466 411525001 /nfs/dbraw/zinc/52/50/01/411525001.db2.gz UQNLJCBLJYQYTF-SNVBAGLBSA-N 0 1 213.300 2.302 20 0 BEADMN c1c(CN2CC[C@@]3(CCOC3)C2)onc1C1CC1 ZINC000659998760 411525209 /nfs/dbraw/zinc/52/52/09/411525209.db2.gz SJPSUVWNSYBIEJ-CQSZACIVSA-N 0 1 248.326 2.164 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCCC2(F)F)n1 ZINC000657481218 411527007 /nfs/dbraw/zinc/52/70/07/411527007.db2.gz BIOGMCXLBYCNRU-VIFPVBQESA-N 0 1 229.274 2.243 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2nccn2CC)CO1 ZINC000657483887 411528866 /nfs/dbraw/zinc/52/88/66/411528866.db2.gz VOCWFHXNMKODPX-QJPTWQEYSA-N 0 1 237.347 2.121 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@@H](CC)C2)o1 ZINC000657486256 411530101 /nfs/dbraw/zinc/53/01/01/411530101.db2.gz VEPRXJKNEJUIBS-QWRGUYRKSA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc(OC)ns1 ZINC000660064218 411532285 /nfs/dbraw/zinc/53/22/85/411532285.db2.gz SJXARFMPYBBCNT-MRVPVSSYSA-N 0 1 214.334 2.382 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CS[C@@H](C)C1 ZINC000657491565 411532361 /nfs/dbraw/zinc/53/23/61/411532361.db2.gz XDBXCOYIDZONCV-QWRGUYRKSA-N 0 1 239.388 2.448 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CC1(C)C ZINC000657326812 411466071 /nfs/dbraw/zinc/46/60/71/411466071.db2.gz QNLWZEBHMVALGA-SNVBAGLBSA-N 0 1 207.321 2.352 20 0 BEADMN CC1(C[N@H+]2CCC[C@]2(C)C(=O)[O-])CCC1 ZINC000307122750 411466645 /nfs/dbraw/zinc/46/66/45/411466645.db2.gz WKGXLZUPTLFVBQ-GFCCVEGCSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCS[C@H]1C ZINC000657501018 411538519 /nfs/dbraw/zinc/53/85/19/411538519.db2.gz UOEFEILYLIAAKD-QWRGUYRKSA-N 0 1 239.388 2.448 20 0 BEADMN CC[C@H](NCc1cocn1)[C@@H]1CCCCO1 ZINC000655855628 411538938 /nfs/dbraw/zinc/53/89/38/411538938.db2.gz FPIOCLQHLHGNIF-RYUDHWBXSA-N 0 1 224.304 2.112 20 0 BEADMN Cc1c[nH]c(CN[C@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000657504906 411538979 /nfs/dbraw/zinc/53/89/79/411538979.db2.gz LBQZQBWNWOZHLV-GXTWGEPZSA-N 0 1 249.358 2.155 20 0 BEADMN CCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000070696053 170030125 /nfs/dbraw/zinc/03/01/25/170030125.db2.gz ZLGMAWIMUGPAIU-YPMHNXCESA-N 0 1 205.301 2.468 20 0 BEADMN CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000249947290 170034727 /nfs/dbraw/zinc/03/47/27/170034727.db2.gz ZLGMAWIMUGPAIU-WCQYABFASA-N 0 1 205.301 2.468 20 0 BEADMN CCN1CCN(Cc2cc(C3CC3)no2)C[C@@H]1C ZINC000660126702 411541264 /nfs/dbraw/zinc/54/12/64/411541264.db2.gz UBDXBVMJIXMOPQ-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN CCNC(=O)CNCc1ccc(C2CCC2)cc1 ZINC000339170659 170064338 /nfs/dbraw/zinc/06/43/38/170064338.db2.gz JDGAMLAPAGPNPI-UHFFFAOYSA-N 0 1 246.354 2.180 20 0 BEADMN CCNC(=O)[C@H](C)NCc1cc(Cl)cs1 ZINC000086332379 170094950 /nfs/dbraw/zinc/09/49/50/170094950.db2.gz BPVZHNQOWIAMOD-ZETCQYMHSA-N 0 1 246.763 2.016 20 0 BEADMN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000035138388 170095090 /nfs/dbraw/zinc/09/50/90/170095090.db2.gz MIHDZLWOBYPPHU-UWVGGRQHSA-N 0 1 238.306 2.001 20 0 BEADMN CCNC(=O)[C@H](C)NCc1ccc(Cl)s1 ZINC000035142171 170095100 /nfs/dbraw/zinc/09/51/00/170095100.db2.gz ZGRMBHMNCKGLNU-ZETCQYMHSA-N 0 1 246.763 2.016 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000657501790 411537163 /nfs/dbraw/zinc/53/71/63/411537163.db2.gz ZMBCEGNRTJYXJJ-VXGBXAGGSA-N 0 1 237.347 2.074 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCS[C@@H]1C ZINC000657501016 411537927 /nfs/dbraw/zinc/53/79/27/411537927.db2.gz UOEFEILYLIAAKD-GHMZBOCLSA-N 0 1 239.388 2.448 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1nc(C)c[nH]1 ZINC000657560843 411551690 /nfs/dbraw/zinc/55/16/90/411551690.db2.gz CLUIDTIOEZDHKW-LBPRGKRZSA-N 0 1 237.347 2.013 20 0 BEADMN CCNCc1nc(-c2ccccc2Cl)no1 ZINC000048372111 170130721 /nfs/dbraw/zinc/13/07/21/170130721.db2.gz SWAXDXICQZBWIW-UHFFFAOYSA-N 0 1 237.690 2.500 20 0 BEADMN CCc1ccc(C)nc1N[C@@H](C)COC ZINC000657578890 411554073 /nfs/dbraw/zinc/55/40/73/411554073.db2.gz MVGAKMPLCXGEBS-JTQLQIEISA-N 0 1 208.305 2.399 20 0 BEADMN CCc1ccc(C)nc1N[C@H]1CCOC1 ZINC000657579416 411554222 /nfs/dbraw/zinc/55/42/22/411554222.db2.gz PBKMNZNEDOOEEW-NSHDSACASA-N 0 1 206.289 2.153 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503710 170143105 /nfs/dbraw/zinc/14/31/05/170143105.db2.gz FPWFUBPKCSRNIS-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN CCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000087342007 170165045 /nfs/dbraw/zinc/16/50/45/170165045.db2.gz CDGAMEVFESILCN-LLVKDONJSA-N 0 1 201.273 2.109 20 0 BEADMN COCc1nc(CN[C@]23C[C@H]2CCC3)cs1 ZINC000657550869 411547045 /nfs/dbraw/zinc/54/70/45/411547045.db2.gz KYSDIFUWYBMHAY-BXKDBHETSA-N 0 1 238.356 2.322 20 0 BEADMN CCOC(=O)CCN1CCc2sccc2C1 ZINC000036668866 170207503 /nfs/dbraw/zinc/20/75/03/170207503.db2.gz PNNMWCKKGDTSLC-UHFFFAOYSA-N 0 1 239.340 2.059 20 0 BEADMN CCOC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000338361199 170215742 /nfs/dbraw/zinc/21/57/42/170215742.db2.gz ZJEMNFDVUNZQGC-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN([C@@H](C)[C@H](C)CC)C1CC1 ZINC000104966075 170215961 /nfs/dbraw/zinc/21/59/61/170215961.db2.gz NRVMEJFAKFHAPI-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCOC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000371618039 170221662 /nfs/dbraw/zinc/22/16/62/170221662.db2.gz CMRYEILAFKYOBM-DGCLKSJQSA-N 0 1 225.332 2.062 20 0 BEADMN OC/C=C/CNCc1ccccc1OCC1CC1 ZINC000657592905 411557362 /nfs/dbraw/zinc/55/73/62/411557362.db2.gz NQZZWSUSSBKFLM-ONEGZZNKSA-N 0 1 247.338 2.114 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660237558 411557501 /nfs/dbraw/zinc/55/75/01/411557501.db2.gz BFVMIJRJKIMFFP-UPJWGTAASA-N 0 1 248.374 2.073 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](CSC)C1 ZINC000309324669 170246826 /nfs/dbraw/zinc/24/68/26/170246826.db2.gz HVGOIWHFBZKPMU-GHMZBOCLSA-N 0 1 245.388 2.013 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(C)=C(C)C1 ZINC000361620360 170249602 /nfs/dbraw/zinc/24/96/02/170249602.db2.gz QRWUMIRDJUDFFA-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CCCCF ZINC000336672395 170257502 /nfs/dbraw/zinc/25/75/02/170257502.db2.gz SLERCRAFIUECTD-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN CCOC(=O)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000049956457 170258215 /nfs/dbraw/zinc/25/82/15/170258215.db2.gz DJGSXMRWIZXZHG-DFVUYQKZSA-N 0 1 231.723 2.014 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C2CC2)co1 ZINC000660251482 411560336 /nfs/dbraw/zinc/56/03/36/411560336.db2.gz IGHJSNDBZBODCO-OLZOCXBDSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@@H](NC/C=C/CO)c1ccccc1F ZINC000657595160 411560525 /nfs/dbraw/zinc/56/05/25/411560525.db2.gz YBQHBZPSQPRACB-ORAHPGNNSA-N 0 1 209.264 2.025 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCC(C)(C)C ZINC000341876799 170265454 /nfs/dbraw/zinc/26/54/54/170265454.db2.gz OXONFUUYFXUSPT-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCC1CCCC1 ZINC000353661510 170265767 /nfs/dbraw/zinc/26/57/67/170265767.db2.gz PFTALKSNSNOIGU-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](NCc1coc(C)n1)[C@H]1CCCO1 ZINC000660260097 411561418 /nfs/dbraw/zinc/56/14/18/411561418.db2.gz SESHSGCDOGENGU-NWDGAFQWSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ccc(CNCCO[C@@H]2CC2(F)F)o1 ZINC000657618585 411565256 /nfs/dbraw/zinc/56/52/56/411565256.db2.gz LVIUXCNWAALBCX-SNVBAGLBSA-N 0 1 231.242 2.102 20 0 BEADMN COC[C@H]1CCCCN(Cc2coc(C)n2)C1 ZINC000660292157 411565494 /nfs/dbraw/zinc/56/54/94/411565494.db2.gz FIJVAAMHEYZOIF-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CCOC1(C)CCN(Cc2cnc(C)cn2)CC1 ZINC000336794150 170318727 /nfs/dbraw/zinc/31/87/27/170318727.db2.gz ZXQULGJXLZVZBH-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN CCOC1CC(N[C@@H](COC)c2ccco2)C1 ZINC000271790297 170329121 /nfs/dbraw/zinc/32/91/21/170329121.db2.gz IYVOFYZYUWTNRM-MCIGGMRASA-N 0 1 239.315 2.124 20 0 BEADMN CCOC1CC2(C1)CCN(Cc1n[nH]cc1C)C2 ZINC000365682781 170333078 /nfs/dbraw/zinc/33/30/78/170333078.db2.gz VZYOWTKHOMRAHZ-UHFFFAOYSA-N 0 1 249.358 2.109 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC[C@H](C)O2)[nH]c1C ZINC000657670345 411574418 /nfs/dbraw/zinc/57/44/18/411574418.db2.gz UEXXGIGCOXLHBQ-CABZTGNLSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1nc(CNC[C@H]2CCC[C@H](C)O2)[nH]c1C ZINC000657670346 411574709 /nfs/dbraw/zinc/57/47/09/411574709.db2.gz UEXXGIGCOXLHBQ-JOYOIKCWSA-N 0 1 237.347 2.074 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC[C@@H](C)O2)[nH]c1C ZINC000657670347 411574769 /nfs/dbraw/zinc/57/47/69/411574769.db2.gz UEXXGIGCOXLHBQ-SKDRFNHKSA-N 0 1 237.347 2.074 20 0 BEADMN C[C@H]1CCC[C@H](CNCc2nccs2)O1 ZINC000657662704 411575559 /nfs/dbraw/zinc/57/55/59/411575559.db2.gz FRJDDLGIFIWAST-VHSXEESVSA-N 0 1 226.345 2.190 20 0 BEADMN CCc1nocc1CN(C)[C@@H](CO)CC(C)C ZINC000660314609 411567973 /nfs/dbraw/zinc/56/79/73/411567973.db2.gz WSDGMFZVSVZPOA-GFCCVEGCSA-N 0 1 240.347 2.076 20 0 BEADMN c1c[nH]c(CN[C@@H]2C[C@@H](Oc3ccccc3)C2)n1 ZINC000657646144 411569420 /nfs/dbraw/zinc/56/94/20/411569420.db2.gz WITMOTBFWRQTGT-AULYBMBSSA-N 0 1 243.310 2.109 20 0 BEADMN CCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762924 411623075 /nfs/dbraw/zinc/62/30/75/411623075.db2.gz YYCJCSLUWCSVJX-LBPRGKRZSA-N 0 1 230.315 2.236 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317336 411623138 /nfs/dbraw/zinc/62/31/38/411623138.db2.gz LUQHDMXUMGMQGA-YVECIDJPSA-N 0 1 239.359 2.464 20 0 BEADMN C[C@H](C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1)C(=O)[O-] ZINC000663317853 411623991 /nfs/dbraw/zinc/62/39/91/411623991.db2.gz QTMZSSKUWVRQNQ-WISYIIOYSA-N 0 1 237.343 2.218 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663318928 411624176 /nfs/dbraw/zinc/62/41/76/411624176.db2.gz ZVRTZQPKTLDGKY-CLLJXQQHSA-N 0 1 237.343 2.219 20 0 BEADMN COc1cc(CN2CC(C)(C)C[C@H]2C)on1 ZINC000660804620 411639658 /nfs/dbraw/zinc/63/96/58/411639658.db2.gz GIJOAJUUDDJFKO-SECBINFHSA-N 0 1 224.304 2.304 20 0 BEADMN COc1cc(CN2CC(C)(C)C[C@@H]2C)on1 ZINC000660804621 411639709 /nfs/dbraw/zinc/63/97/09/411639709.db2.gz GIJOAJUUDDJFKO-VIFPVBQESA-N 0 1 224.304 2.304 20 0 BEADMN Cc1nc(CN2CCSC[C@@H](C)C2)c(C)o1 ZINC000660406467 411580418 /nfs/dbraw/zinc/58/04/18/411580418.db2.gz GRDPTMHPJCAUQC-VIFPVBQESA-N 0 1 240.372 2.476 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)oc2C)[C@H](C)C1 ZINC000660480591 411591120 /nfs/dbraw/zinc/59/11/20/411591120.db2.gz WACWRDFHDFYBEJ-BXKDBHETSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1nc(CN2CCCCC[C@H]2CCO)co1 ZINC000660494488 411593869 /nfs/dbraw/zinc/59/38/69/411593869.db2.gz DUQZSUZMVQKQIB-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN CCOC[C@@H](NCc1nc(C)oc1C)C(C)C ZINC000660525571 411595856 /nfs/dbraw/zinc/59/58/56/411595856.db2.gz LRHLFZSBDMIKRL-CYBMUJFWSA-N 0 1 240.347 2.442 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cncc(F)c1 ZINC000657789476 411596826 /nfs/dbraw/zinc/59/68/26/411596826.db2.gz FRXNAEORHJXHFZ-FXAINCCUSA-N 0 1 224.279 2.049 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@@H]2C)c(C)o1 ZINC000660538232 411597434 /nfs/dbraw/zinc/59/74/34/411597434.db2.gz NZCUCRAIBRKULP-CPCISQLKSA-N 0 1 226.345 2.133 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@H]2C)c(C)o1 ZINC000660538233 411597517 /nfs/dbraw/zinc/59/75/17/411597517.db2.gz NZCUCRAIBRKULP-HQJQHLMTSA-N 0 1 226.345 2.133 20 0 BEADMN CC(C)(C)C(F)(F)CNC1CCOCC1 ZINC000657793245 411598563 /nfs/dbraw/zinc/59/85/63/411598563.db2.gz IRIVCIIAGAYTNN-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN CO[C@H](C)CN(C)Cc1cc(C2CC2)no1 ZINC000660553175 411598648 /nfs/dbraw/zinc/59/86/48/411598648.db2.gz XIEVASDLXWMYLF-SECBINFHSA-N 0 1 224.304 2.019 20 0 BEADMN CCOC[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276280968 170457150 /nfs/dbraw/zinc/45/71/50/170457150.db2.gz UFCVTULEDUEPSG-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN COc1cccc(CNCc2ccnn2C)c1C ZINC000657804035 411600222 /nfs/dbraw/zinc/60/02/22/411600222.db2.gz DDAJPLBUOUIHPX-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN COc1cc(CN2CCC[C@H](C3CC3)C2)on1 ZINC000660561571 411600566 /nfs/dbraw/zinc/60/05/66/411600566.db2.gz UNQYKGZNJSSQEF-NSHDSACASA-N 0 1 236.315 2.305 20 0 BEADMN CC(C)c1nc(CN2CC[C@H]2C(F)(F)F)n[nH]1 ZINC000660569096 411601590 /nfs/dbraw/zinc/60/15/90/411601590.db2.gz BKGVYDCXOMNKKJ-ZETCQYMHSA-N 0 1 248.252 2.065 20 0 BEADMN C[C@@H](O)[C@H](NCc1cccnc1)c1ccccc1 ZINC000657814318 411604148 /nfs/dbraw/zinc/60/41/48/411604148.db2.gz DVVFXROUYDSGPO-DOMZBBRYSA-N 0 1 242.322 2.293 20 0 BEADMN COCC(C)(C)N(C)Cc1cc(OC)ns1 ZINC000660615666 411608316 /nfs/dbraw/zinc/60/83/16/411608316.db2.gz VVJMCANDKDVWEO-UHFFFAOYSA-N 0 1 244.360 2.009 20 0 BEADMN c1cc2n(n1)CCC[C@H]2NCc1ccoc1 ZINC000657844803 411610702 /nfs/dbraw/zinc/61/07/02/411610702.db2.gz KCXNGJUAAXPYOF-LLVKDONJSA-N 0 1 217.272 2.101 20 0 BEADMN CCc1nocc1CN1CCCC[C@H]1COC ZINC000660756055 411621162 /nfs/dbraw/zinc/62/11/62/411621162.db2.gz WZPYYXQBQKNJSS-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1cnc(CCN(C)Cc2c[nH]cn2)c(C)c1 ZINC000661092779 411704722 /nfs/dbraw/zinc/70/47/22/411704722.db2.gz KWJXWEQDNPZEQA-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](CC)[C@H](C)CC)n1 ZINC000661103890 411708629 /nfs/dbraw/zinc/70/86/29/411708629.db2.gz DMXSWOZCKFXFFI-SNVBAGLBSA-N 0 1 237.347 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](CC)[C@H](C)CC)n1 ZINC000661103890 411708632 /nfs/dbraw/zinc/70/86/32/411708632.db2.gz DMXSWOZCKFXFFI-SNVBAGLBSA-N 0 1 237.347 2.365 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@@H+](C)Cc2n[n-]c(=O)o2)C1 ZINC000660843635 411652774 /nfs/dbraw/zinc/65/27/74/411652774.db2.gz BKKPLWCESVVJKC-ZJUUUORDSA-N 0 1 239.319 2.033 20 0 BEADMN CCc1ccc(CN(C)C2(COC)CC2)nc1 ZINC000663452335 411659574 /nfs/dbraw/zinc/65/95/74/411659574.db2.gz BODXQVLOIPWAOV-UHFFFAOYSA-N 0 1 234.343 2.255 20 0 BEADMN FC1(F)CC2(CN(CCc3cncs3)C2)C1 ZINC000663464576 411664729 /nfs/dbraw/zinc/66/47/29/411664729.db2.gz NUYFMDDLSIWWSV-UHFFFAOYSA-N 0 1 244.310 2.417 20 0 BEADMN Cc1nc(CNC2(C3CCC3)CC2)co1 ZINC000660921238 411672933 /nfs/dbraw/zinc/67/29/33/411672933.db2.gz VJYBIEPRHUCDTG-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN COc1ncc(CN2C[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000660931903 411681321 /nfs/dbraw/zinc/68/13/21/411681321.db2.gz SGNQKVLMJIKHHG-AAEUAGOBSA-N 0 1 247.342 2.168 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)c1C ZINC000663506956 411690954 /nfs/dbraw/zinc/69/09/54/411690954.db2.gz PQMYDHHEIFFFBC-ZIAGYGMSSA-N 0 1 236.334 2.175 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@@](C)(C3CC3)C2)O1 ZINC000661170496 411728845 /nfs/dbraw/zinc/72/88/45/411728845.db2.gz XIMZLNRUNJOEMF-MRVWCRGKSA-N 0 1 239.359 2.055 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nc(COC)no1 ZINC000661231390 411737397 /nfs/dbraw/zinc/73/73/97/411737397.db2.gz MHFHUXQKHZTNCQ-VIFPVBQESA-N 0 1 241.335 2.130 20 0 BEADMN CCOc1nnc(CN[C@H](C)[C@@H](C)CC)s1 ZINC000336776685 170605760 /nfs/dbraw/zinc/60/57/60/170605760.db2.gz GIXVRBNUGGWOAD-DTWKUNHWSA-N 0 1 243.376 2.461 20 0 BEADMN CC(C)COCCN1CC2(CCC2)OC[C@@H]1C ZINC000661460985 411779441 /nfs/dbraw/zinc/77/94/41/411779441.db2.gz AUSXDYZCYKVFBZ-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H]1COC2(CCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000661466470 411783751 /nfs/dbraw/zinc/78/37/51/411783751.db2.gz QPCVOPAKZZMBFJ-STQMWFEESA-N 0 1 239.359 2.056 20 0 BEADMN Cn1c(=O)[nH]nc1SCCCC1CCC1 ZINC000663948830 411788462 /nfs/dbraw/zinc/78/84/62/411788462.db2.gz GVLQJKMABJHEGY-UHFFFAOYSA-N 0 1 227.333 2.193 20 0 BEADMN Cc1noc(CN[C@@H]2Cc3ccccc3[C@@H]2C)n1 ZINC000661516324 411794878 /nfs/dbraw/zinc/79/48/78/411794878.db2.gz AERNHQKUCAMMPC-TVQRCGJNSA-N 0 1 243.310 2.196 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661708098 411851142 /nfs/dbraw/zinc/85/11/42/411851142.db2.gz WTFNUMWANWONOA-DYEKYZERSA-N 0 1 232.327 2.111 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853536 411903276 /nfs/dbraw/zinc/90/32/76/411903276.db2.gz UICJSMVYLHWMHO-OLZOCXBDSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@H](c1cnccn1)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661855888 411904671 /nfs/dbraw/zinc/90/46/71/411904671.db2.gz FESCXXHZHVTRCX-GRYCIOLGSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1ccccc1NC(=O)N(C)CC1CN(C)C1 ZINC000664363673 411931099 /nfs/dbraw/zinc/93/10/99/411931099.db2.gz NQOMRENQJPAICV-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000661772705 411883506 /nfs/dbraw/zinc/88/35/06/411883506.db2.gz UNYUFWGVIHJIEA-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000661772705 411883511 /nfs/dbraw/zinc/88/35/11/411883511.db2.gz UNYUFWGVIHJIEA-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2nccc(N)n2)CC1 ZINC000662067532 411970441 /nfs/dbraw/zinc/97/04/41/411970441.db2.gz YOWFXIVGUDMIAW-JTQLQIEISA-N 0 1 234.347 2.288 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000662039229 411956045 /nfs/dbraw/zinc/95/60/45/411956045.db2.gz PLEUDMKKQRTSPO-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1nccc(N2CCC[C@@H]2[C@@H](C)O)c1Cl ZINC000664437898 411957280 /nfs/dbraw/zinc/95/72/80/411957280.db2.gz BXSBXLZSGMQEMU-NXEZZACHSA-N 0 1 240.734 2.393 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1C(=O)[O-] ZINC000662211974 412026329 /nfs/dbraw/zinc/02/63/29/412026329.db2.gz LDGRHJWZRGSOBK-PWSUYJOCSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC=CC1 ZINC000662213494 412026818 /nfs/dbraw/zinc/02/68/18/412026818.db2.gz ZDLVGKWZLUNGPO-JQWIXIFHSA-N 0 1 223.316 2.138 20 0 BEADMN CC[N@@H+](Cc1cc(F)ccc1C)[C@H](C)C(=O)[O-] ZINC000662214603 412027436 /nfs/dbraw/zinc/02/74/36/412027436.db2.gz GGAMOMBQPNJEEJ-SNVBAGLBSA-N 0 1 239.290 2.429 20 0 BEADMN COC[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664825098 412027788 /nfs/dbraw/zinc/02/77/88/412027788.db2.gz GSHFJXKADCWXNY-AAEUAGOBSA-N 0 1 234.343 2.499 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1CC=CC1 ZINC000662213493 412028015 /nfs/dbraw/zinc/02/80/15/412028015.db2.gz ZDLVGKWZLUNGPO-CMPLNLGQSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662213334 412028093 /nfs/dbraw/zinc/02/80/93/412028093.db2.gz ZVAYPPRZCMYKOB-DGCLKSJQSA-N 0 1 233.311 2.339 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662213424 412028390 /nfs/dbraw/zinc/02/83/90/412028390.db2.gz XCQBFQNRDYFAMC-NAWOPXAZSA-N 0 1 237.343 2.218 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662230500 412032837 /nfs/dbraw/zinc/03/28/37/412032837.db2.gz ZUPTVRODFRLERO-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN Cc1noc(C)c1CN(C)CC1=CCSC1 ZINC000662264832 412056822 /nfs/dbraw/zinc/05/68/22/412056822.db2.gz SFQGBZGCVNTXIF-UHFFFAOYSA-N 0 1 238.356 2.396 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2C)C1 ZINC000295866448 171006894 /nfs/dbraw/zinc/00/68/94/171006894.db2.gz XDQFCCDASJIPOC-TZMCWYRMSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@H]1NCC(F)(F)CO ZINC000336745227 171033130 /nfs/dbraw/zinc/03/31/30/171033130.db2.gz VLAHINTXYOTNFZ-GMTAPVOTSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cnc(C)[nH]1 ZINC000271476784 171037066 /nfs/dbraw/zinc/03/70/66/171037066.db2.gz TVPBKVNZWZAGSZ-PSASIEDQSA-N 0 1 221.304 2.121 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CC2=CCSC2)cn1 ZINC000662267539 412060505 /nfs/dbraw/zinc/06/05/05/412060505.db2.gz VCSPKMPEHVWWJJ-LLVKDONJSA-N 0 1 249.383 2.451 20 0 BEADMN CC[N@@H+](CCCc1ccsc1)[C@H](C)C(=O)[O-] ZINC000662214669 412022878 /nfs/dbraw/zinc/02/28/78/412022878.db2.gz GZZUCSSJEOJBIL-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000264700134 171085726 /nfs/dbraw/zinc/08/57/26/171085726.db2.gz HYWZDUNHRXDPAM-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1O ZINC000270894764 171087817 /nfs/dbraw/zinc/08/78/17/171087817.db2.gz LUPGSNOHJLCHPC-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2cnc(C)s2)CCCO1 ZINC000281155435 171092079 /nfs/dbraw/zinc/09/20/79/171092079.db2.gz FRRWRHJKLNIAHU-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@@H]1COCCN1CCCc1ccncc1 ZINC000360448085 171106640 /nfs/dbraw/zinc/10/66/40/171106640.db2.gz OURQVWNUYXBHHS-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1CCC(C)(C)O1 ZINC000359838702 171113991 /nfs/dbraw/zinc/11/39/91/171113991.db2.gz FHAFLDQHHGWVCX-UPJWGTAASA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1ncn(C)n1 ZINC000245604089 171115165 /nfs/dbraw/zinc/11/51/65/171115165.db2.gz QEMNTCWJRSMAGQ-QJPTWQEYSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@](C)(NCc1ccc(Cl)s1)C(N)=O ZINC000336675204 171176342 /nfs/dbraw/zinc/17/63/42/171176342.db2.gz HLJSWIZHTUWXNV-SNVBAGLBSA-N 0 1 246.763 2.145 20 0 BEADMN CC[C@@](C)(O)CN[C@@H](C)c1csc(C)n1 ZINC000083462008 171184316 /nfs/dbraw/zinc/18/43/16/171184316.db2.gz ZZQDWMJLPGIFNM-GZMMTYOYSA-N 0 1 228.361 2.263 20 0 BEADMN CC[C@@](C)(O)CN[C@H](C)c1c(F)cncc1F ZINC000285636444 171185946 /nfs/dbraw/zinc/18/59/46/171185946.db2.gz LAAUEQQLADVPBN-PRHODGIISA-N 0 1 244.285 2.171 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000173512076 171199175 /nfs/dbraw/zinc/19/91/75/171199175.db2.gz GESRKLCCGUMGFL-ZDUSSCGKSA-N 0 1 235.331 2.370 20 0 BEADMN CC[C@@]1(C)CN(CCc2ccncc2)CCO1 ZINC000135705047 171202769 /nfs/dbraw/zinc/20/27/69/171202769.db2.gz IFXUGQJCPIWCHO-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000086802963 171236186 /nfs/dbraw/zinc/23/61/86/171236186.db2.gz OQJMBSHLXFNYKS-LLVKDONJSA-N 0 1 243.253 2.260 20 0 BEADMN CC[C@H](C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375965486 171247021 /nfs/dbraw/zinc/24/70/21/171247021.db2.gz RPTQQNHKHBTMDL-JTQLQIEISA-N 0 1 249.358 2.470 20 0 BEADMN CC[C@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313324619 171249167 /nfs/dbraw/zinc/24/91/67/171249167.db2.gz MWZNYIPONBBBNU-GXTWGEPZSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000354380885 171265684 /nfs/dbraw/zinc/26/56/84/171265684.db2.gz IVNBIHOZWMUJGR-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1cnccc1N(C)C ZINC000273498294 171272225 /nfs/dbraw/zinc/27/22/25/171272225.db2.gz LUERPUCZWXRLRF-NSHDSACASA-N 0 1 249.358 2.266 20 0 BEADMN CC[C@H](C)CN(C)Cc1cc(C)n(C)n1 ZINC000336646335 171274713 /nfs/dbraw/zinc/27/47/13/171274713.db2.gz KHCYGUNRLIVJFX-JTQLQIEISA-N 0 1 209.337 2.206 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000361842392 171294624 /nfs/dbraw/zinc/29/46/24/171294624.db2.gz IXHXYEYWVOIKJY-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000361842391 171297214 /nfs/dbraw/zinc/29/72/14/171297214.db2.gz IXHXYEYWVOIKJY-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358745522 171358858 /nfs/dbraw/zinc/35/88/58/171358858.db2.gz XVPFTZVIKQAOQD-WUHRBBMRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358745522 171358860 /nfs/dbraw/zinc/35/88/60/171358860.db2.gz XVPFTZVIKQAOQD-WUHRBBMRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@H](C)c1nccs1 ZINC000252738360 171378051 /nfs/dbraw/zinc/37/80/51/171378051.db2.gz BJNUBESFDWHYDB-AEJSXWLSSA-N 0 1 228.361 2.201 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000246638978 171387385 /nfs/dbraw/zinc/38/73/85/171387385.db2.gz UGVRGIRAZKJKQK-DCAQKATOSA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nc(C2CC2)no1 ZINC000183040110 171389655 /nfs/dbraw/zinc/38/96/55/171389655.db2.gz IXKCYADZOWFWRG-IUCAKERBSA-N 0 1 223.320 2.471 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)C[C@H]1CC1(C)C ZINC000662343560 412111224 /nfs/dbraw/zinc/11/12/24/412111224.db2.gz LUUSDTOZFKSBMT-LLVKDONJSA-N 0 1 233.359 2.307 20 0 BEADMN Cc1cnc(CN(C)C[C@@H]2CC2(C)C)o1 ZINC000662345757 412116102 /nfs/dbraw/zinc/11/61/02/412116102.db2.gz LOFFIHYPPISSST-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)[C@H]1C ZINC000665166463 412117771 /nfs/dbraw/zinc/11/77/71/412117771.db2.gz ZRWXENWREBQJNZ-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN CCCN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662365353 412125616 /nfs/dbraw/zinc/12/56/16/412125616.db2.gz RZELTIBSJXBLCS-WCBMZHEXSA-N 0 1 207.264 2.141 20 0 BEADMN C[C@@]1(C(F)F)CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662367494 412126072 /nfs/dbraw/zinc/12/60/72/412126072.db2.gz JDRTWAVILQZVRP-NOHGZBONSA-N 0 1 245.313 2.389 20 0 BEADMN CC[C@@H](C)N1CCO[C@](C)(C(F)F)C1 ZINC000662369609 412127745 /nfs/dbraw/zinc/12/77/45/412127745.db2.gz UXVQAOIPFCGKDX-SCZZXKLOSA-N 0 1 207.264 2.141 20 0 BEADMN CCn1nc(C)cc1-c1cncc2nc[nH]c21 ZINC000665213765 412151218 /nfs/dbraw/zinc/15/12/18/412151218.db2.gz BDKOOMRTPLVBKI-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)N1CCNC[C@@H]1C ZINC000662404727 412151799 /nfs/dbraw/zinc/15/17/99/412151799.db2.gz UVMIOTUSFRYZLZ-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](O)CCNCc1c(F)cccc1F ZINC000131688834 171560015 /nfs/dbraw/zinc/56/00/15/171560015.db2.gz BZEFSEFSVXGFPG-VIFPVBQESA-N 0 1 229.270 2.215 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC1=CCCC1 ZINC000662706398 412277341 /nfs/dbraw/zinc/27/73/41/412277341.db2.gz CCTLYCNWXJXGTM-CQSZACIVSA-N 0 1 244.338 2.221 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccco1 ZINC000665349312 412278368 /nfs/dbraw/zinc/27/83/68/412278368.db2.gz FWKGIBMIWTXKHN-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN CCc1noc(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000665284798 412232382 /nfs/dbraw/zinc/23/23/82/412232382.db2.gz VMZWRTKNWUDBKC-LLVKDONJSA-N 0 1 235.331 2.254 20 0 BEADMN CC[C@H]1CCN1C(=O)c1[nH]nc2ccccc21 ZINC000294138952 171637058 /nfs/dbraw/zinc/63/70/58/171637058.db2.gz UMSAUAIWEMGCGZ-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN Cc1cc(CN[C@H]2CCC(F)(F)C2)nn1C ZINC000666288475 487622880 /nfs/dbraw/zinc/62/28/80/487622880.db2.gz SICSZPHLWZNYJG-VIFPVBQESA-N 0 1 229.274 2.006 20 0 BEADMN Cc1cc(C(F)(F)F)cc(N[C@@H](C)C(=O)[O-])[nH+]1 ZINC000662878685 412333756 /nfs/dbraw/zinc/33/37/56/412333756.db2.gz YQFOGHJPQWZCRC-LURJTMIESA-N 0 1 248.204 2.294 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)N1CCNC[C@H]1C ZINC000662763279 412293625 /nfs/dbraw/zinc/29/36/25/412293625.db2.gz UVMIOTUSFRYZLZ-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)N1CCNC[C@H]1C ZINC000662763277 412294038 /nfs/dbraw/zinc/29/40/38/412294038.db2.gz UVMIOTUSFRYZLZ-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nc(CN2Cc3cccc(F)c3C2)n[nH]1 ZINC000335158828 171982051 /nfs/dbraw/zinc/98/20/51/171982051.db2.gz WXMXDUZYVCOOOI-UHFFFAOYSA-N 0 1 246.289 2.022 20 0 BEADMN CCc1nnc(S[C@@H]2CCC[C@@H]2OC)[nH]1 ZINC000338539131 172000675 /nfs/dbraw/zinc/00/06/75/172000675.db2.gz FORAXMZUCMTUHU-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCC[C@@H]2OC)n1 ZINC000338539131 172000677 /nfs/dbraw/zinc/00/06/77/172000677.db2.gz FORAXMZUCMTUHU-JGVFFNPUSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1nnc(SC[C@H](F)CC)[nH]1 ZINC000336648941 172000706 /nfs/dbraw/zinc/00/07/06/172000706.db2.gz GSJUTEHFEAHDLD-ZCFIWIBFSA-N 0 1 203.286 2.207 20 0 BEADMN CCc1n[nH]c(SC[C@H](F)CC)n1 ZINC000336648941 172000707 /nfs/dbraw/zinc/00/07/07/172000707.db2.gz GSJUTEHFEAHDLD-ZCFIWIBFSA-N 0 1 203.286 2.207 20 0 BEADMN CCc1nc([C@@H](C)NCc2cnc[nH]2)cs1 ZINC000163964429 172001893 /nfs/dbraw/zinc/00/18/93/172001893.db2.gz KHFYNZKOXDSBSN-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN CCc1nc([C@@H](C)NCCCCO)cs1 ZINC000299205592 172002731 /nfs/dbraw/zinc/00/27/31/172002731.db2.gz GGYCYPVBLSASEY-SECBINFHSA-N 0 1 228.361 2.129 20 0 BEADMN CCc1nnc([C@H](C)NC2CC(C)(C)C2)[nH]1 ZINC000331782897 172005893 /nfs/dbraw/zinc/00/58/93/172005893.db2.gz OBSOXJVAMLDXIG-QMMMGPOBSA-N 0 1 222.336 2.206 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2ccccn2)n[nH]1 ZINC000271569087 172006947 /nfs/dbraw/zinc/00/69/47/172006947.db2.gz VKJMHXXUZNENTF-ZJUUUORDSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1ncc(CN2CCC(C)(O)CC2)s1 ZINC000271153497 172016564 /nfs/dbraw/zinc/01/65/64/172016564.db2.gz ABBBFFAJOZYVNF-UHFFFAOYSA-N 0 1 240.372 2.052 20 0 BEADMN CCc1nnc(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000123121422 172051495 /nfs/dbraw/zinc/05/14/95/172051495.db2.gz CJTXTIPNWQCWIG-IUCAKERBSA-N 0 1 209.293 2.005 20 0 BEADMN CCc1nnc(CNC2CCCC2)s1 ZINC000308620707 172051579 /nfs/dbraw/zinc/05/15/79/172051579.db2.gz SYTRVIJMIPWRTC-UHFFFAOYSA-N 0 1 211.334 2.133 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@H]2CC)o1 ZINC000357558110 172051715 /nfs/dbraw/zinc/05/17/15/172051715.db2.gz ZWKTVWCRLUQTDT-NXEZZACHSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CN2[C@@H](C)CC[C@@H]2CC)o1 ZINC000357558112 172052440 /nfs/dbraw/zinc/05/24/40/172052440.db2.gz ZWKTVWCRLUQTDT-UWVGGRQHSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@H](C)C2)s1 ZINC000309039997 172053750 /nfs/dbraw/zinc/05/37/50/172053750.db2.gz KQUWMAYPQJMLMW-IUCAKERBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H](C)[C@H]2C)s1 ZINC000336755776 172053940 /nfs/dbraw/zinc/05/39/40/172053940.db2.gz IHRKENTULNJBBZ-DJLDLDEBSA-N 0 1 225.361 2.235 20 0 BEADMN CCc1nc(SCc2ccccn2)n[nH]1 ZINC000252253132 172063781 /nfs/dbraw/zinc/06/37/81/172063781.db2.gz MHROKUWBZPUBAV-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN CCc1n[nH]c(SCc2ccccn2)n1 ZINC000252253132 172063786 /nfs/dbraw/zinc/06/37/86/172063786.db2.gz MHROKUWBZPUBAV-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN CCc1noc(C)c1CN1C[C@@H](C)[C@H]1C ZINC000293478885 172078409 /nfs/dbraw/zinc/07/84/09/172078409.db2.gz RQWHIVNMYPWVSO-RKDXNWHRSA-N 0 1 208.305 2.386 20 0 BEADMN CCc1noc(C)c1CNCc1ccn(C)c1 ZINC000292850693 172079789 /nfs/dbraw/zinc/07/97/89/172079789.db2.gz BVGABCFTGMPGQA-UHFFFAOYSA-N 0 1 233.315 2.174 20 0 BEADMN CCc1nocc1CN(C)CC(C)(C)COC ZINC000354357308 172093049 /nfs/dbraw/zinc/09/30/49/172093049.db2.gz BTVFHGAMQBYSKD-UHFFFAOYSA-N 0 1 240.347 2.341 20 0 BEADMN CCc1nocc1CN(C)CCc1ccccn1 ZINC000293533706 172093256 /nfs/dbraw/zinc/09/32/56/172093256.db2.gz XGNXKFDUXLRUAC-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CCc1nocc1CNC1CC(F)(F)C1 ZINC000339370997 172097379 /nfs/dbraw/zinc/09/73/79/172097379.db2.gz CXEPJDJAIJQGKH-UHFFFAOYSA-N 0 1 216.231 2.124 20 0 BEADMN CCn1cc(CN[C@H](C)c2cncc(F)c2)cn1 ZINC000353079584 172174195 /nfs/dbraw/zinc/17/41/95/172174195.db2.gz ABBFQSADJFJIJL-SNVBAGLBSA-N 0 1 248.305 2.288 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cncc(C)c2)cn1 ZINC000274614757 172174557 /nfs/dbraw/zinc/17/45/57/172174557.db2.gz OCNMXCRZVTYJJQ-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc(NC(=O)c2ccc(F)cc2O)cn1 ZINC000123392732 172184051 /nfs/dbraw/zinc/18/40/51/172184051.db2.gz YCPRGHBPVLMGCA-UHFFFAOYSA-N 0 1 249.245 2.000 20 0 BEADMN CCn1cc([C@H](C)N[C@@H](C)c2cn[nH]c2)cn1 ZINC000222520751 172197529 /nfs/dbraw/zinc/19/75/29/172197529.db2.gz OTGDOOJCFJEFSF-UWVGGRQHSA-N 0 1 233.319 2.038 20 0 BEADMN CCn1cccc1CN(C)C[C@H]1CCCO1 ZINC000336708489 172204101 /nfs/dbraw/zinc/20/41/01/172204101.db2.gz UQSHFBABDYOQPZ-CYBMUJFWSA-N 0 1 222.332 2.119 20 0 BEADMN CCn1cncc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000334601439 172232809 /nfs/dbraw/zinc/23/28/09/172232809.db2.gz WYSZVRBOFFEXIF-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1cnnc1CN[C@H]1CCC12CCCC2 ZINC000353278664 172236552 /nfs/dbraw/zinc/23/65/52/172236552.db2.gz ZUSGSSCETPMYKP-NSHDSACASA-N 0 1 234.347 2.110 20 0 BEADMN CCn1nccc1CN(C)CCCOC(C)C ZINC000340202493 172265001 /nfs/dbraw/zinc/26/50/01/172265001.db2.gz MNLCSULMWMIVPZ-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN CCn1nccc1CN1CC=C(C)CC1 ZINC000271198569 172267764 /nfs/dbraw/zinc/26/77/64/172267764.db2.gz SEYYEVDVWQCTKY-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN CCn1nccc1CNCc1ccsc1 ZINC000020351289 172270078 /nfs/dbraw/zinc/27/00/78/172270078.db2.gz WXWIHZNYBLPQNH-UHFFFAOYSA-N 0 1 221.329 2.254 20 0 BEADMN CCn1nccc1CN[C@H](C)c1cccnc1 ZINC000125119365 172272972 /nfs/dbraw/zinc/27/29/72/172272972.db2.gz NQNZMFMJFUDEBV-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN CCn1ncnc1CN1CCC2(CCCC2)CC1 ZINC000336462053 172279668 /nfs/dbraw/zinc/27/96/68/172279668.db2.gz RQDCIHPOCZAHNV-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCn1nnc(C)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000336222175 172286231 /nfs/dbraw/zinc/28/62/31/172286231.db2.gz ZURQCJBFTNLDAL-QWHCGFSZSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nnc(C)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000336222176 172286237 /nfs/dbraw/zinc/28/62/37/172286237.db2.gz ZURQCJBFTNLDAL-STQMWFEESA-N 0 1 248.374 2.371 20 0 BEADMN CN(C(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC000334833728 172295941 /nfs/dbraw/zinc/29/59/41/172295941.db2.gz YDNJXNRATPQHAX-UHFFFAOYSA-N 0 1 243.310 2.350 20 0 BEADMN CN(CC(=O)N(C)c1ccccc1)C1CCC1 ZINC000075841697 172308005 /nfs/dbraw/zinc/30/80/05/172308005.db2.gz FEYWKCPLTXGOGB-UHFFFAOYSA-N 0 1 232.327 2.134 20 0 BEADMN CN(C(=O)[C@@H](N)c1ccccc1)C1CCCC1 ZINC000037092821 172324766 /nfs/dbraw/zinc/32/47/66/172324766.db2.gz UEBULNFDXWNZMH-ZDUSSCGKSA-N 0 1 232.327 2.087 20 0 BEADMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000265425088 172336439 /nfs/dbraw/zinc/33/64/39/172336439.db2.gz CDZCYGMZHJZVIN-UHFFFAOYSA-N 0 1 241.294 2.311 20 0 BEADMN CN(C(=O)c1ccc(O)c(Cl)c1)C1CC1 ZINC000037081408 172340591 /nfs/dbraw/zinc/34/05/91/172340591.db2.gz DJRJENJQOQKAHN-UHFFFAOYSA-N 0 1 225.675 2.280 20 0 BEADMN CN(C(=O)c1ccc2cncn2c1)C1CCCC1 ZINC000284398448 172341444 /nfs/dbraw/zinc/34/14/44/172341444.db2.gz CQVRIDHQYILDOP-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN CN(C)Cc1ccsc1C(=O)N(C)C1CC1 ZINC000267995418 172505138 /nfs/dbraw/zinc/50/51/38/172505138.db2.gz BHSJOWFBFSDEND-UHFFFAOYSA-N 0 1 238.356 2.044 20 0 BEADMN CN(C)c1ncc(CNC(C)(C)CF)s1 ZINC000336754869 172579997 /nfs/dbraw/zinc/57/99/97/172579997.db2.gz HSKLVUUFNUESMU-UHFFFAOYSA-N 0 1 231.340 2.047 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)CC(C)(C)C ZINC000273565417 172623617 /nfs/dbraw/zinc/62/36/17/172623617.db2.gz DYENVDLSAOIYGR-UHFFFAOYSA-N 0 1 249.358 2.266 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCCC1CCCCC1 ZINC000354155452 173024361 /nfs/dbraw/zinc/02/43/61/173024361.db2.gz MSUBMIOIHHPKKM-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@H]1C(=O)NCCCC1CCCC1 ZINC000354151712 173049877 /nfs/dbraw/zinc/04/98/77/173049877.db2.gz YSVBNLHXCCZBFT-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CN1CCC[C@H]1C(=O)NCCC(C)(C)C1CC1 ZINC000360754110 173050851 /nfs/dbraw/zinc/05/08/51/173050851.db2.gz MIKOQKSBPQNTIA-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000156367387 173086434 /nfs/dbraw/zinc/08/64/34/173086434.db2.gz JRCVKMAEZZKSPE-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CN1Cc2ccccc2[C@@H](Nc2ncccn2)C1 ZINC000372297791 173202264 /nfs/dbraw/zinc/20/22/64/173202264.db2.gz KBBJLLHGGVROSH-ZDUSSCGKSA-N 0 1 240.310 2.075 20 0 BEADMN CNC(=O)CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000130921294 173273627 /nfs/dbraw/zinc/27/36/27/173273627.db2.gz ZBYGGKBSGSXWEO-CQSZACIVSA-N 0 1 246.354 2.268 20 0 BEADMN CNC(=O)[C@H]1CCCCN1Cc1ccc(C)cc1 ZINC000104670722 173305765 /nfs/dbraw/zinc/30/57/65/173305765.db2.gz JKGUQXOLCOYIDD-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccccn1 ZINC000662227261 487627933 /nfs/dbraw/zinc/62/79/33/487627933.db2.gz YZIVGVDSTOYPSL-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN COC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000345346883 174004938 /nfs/dbraw/zinc/00/49/38/174004938.db2.gz DIHMRJRRUNYIEM-NEPJUHHUSA-N 0 1 249.358 2.438 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccncc1 ZINC000662227124 487628073 /nfs/dbraw/zinc/62/80/73/487628073.db2.gz XCMATUUGQQTHDR-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN COCC1=CCN(C/C=C/Cl)CC1 ZINC000185830862 174114374 /nfs/dbraw/zinc/11/43/74/174114374.db2.gz MQNBGFIWYAWBOP-GORDUTHDSA-N 0 1 201.697 2.017 20 0 BEADMN COCC1=CCN([C@@H](C)c2cccnc2)CC1 ZINC000360786796 174115964 /nfs/dbraw/zinc/11/59/64/174115964.db2.gz LANBRNOUHNIIRP-LBPRGKRZSA-N 0 1 232.327 2.421 20 0 BEADMN COCC1=CCN(Cc2cncc(C)c2)CC1 ZINC000276099711 174118123 /nfs/dbraw/zinc/11/81/23/174118123.db2.gz VNZZDFKWNAMBKH-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCCC1(C)CN(Cc2cccc(O)c2)C1 ZINC000297421118 174152609 /nfs/dbraw/zinc/15/26/09/174152609.db2.gz NKYBOWMCFLCFGC-UHFFFAOYSA-N 0 1 235.327 2.251 20 0 BEADMN COCCC1(C)CN(Cc2scnc2C)C1 ZINC000297446790 174153042 /nfs/dbraw/zinc/15/30/42/174153042.db2.gz QEQMFPDORPATFD-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN COCCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000339397786 174207751 /nfs/dbraw/zinc/20/77/51/174207751.db2.gz ZMVCPMDRPDMUNV-JTQLQIEISA-N 0 1 241.335 2.085 20 0 BEADMN COCCCN(C)Cc1nc2ccccc2n1C ZINC000299596345 174218125 /nfs/dbraw/zinc/21/81/25/174218125.db2.gz RKQKNOJJWOMNLS-UHFFFAOYSA-N 0 1 247.342 2.042 20 0 BEADMN COCCCN(C)Cc1cc(OC)ccc1F ZINC000295471636 174218776 /nfs/dbraw/zinc/21/87/76/174218776.db2.gz WODGRQHSNHSMTF-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN COCCCN1CCO[C@H](c2ccccc2C)C1 ZINC000126127988 174233783 /nfs/dbraw/zinc/23/37/83/174233783.db2.gz SMNXMYQZAFFSQE-HNNXBMFYSA-N 0 1 249.354 2.405 20 0 BEADMN COCCCOCCN(C)Cc1ccsc1 ZINC000181523689 174255627 /nfs/dbraw/zinc/25/56/27/174255627.db2.gz YQUIPYVTNCGQHX-UHFFFAOYSA-N 0 1 243.372 2.233 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@H]1CC[C@H](C)C1 ZINC000361627684 174298570 /nfs/dbraw/zinc/29/85/70/174298570.db2.gz FIQWJIQYTDTORN-AAEUAGOBSA-N 0 1 237.347 2.047 20 0 BEADMN COCCN(Cc1ncccc1C)C1CC1 ZINC000357307749 174302497 /nfs/dbraw/zinc/30/24/97/174302497.db2.gz VEVAIJHWRRKWOH-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN COCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000110032802 174318463 /nfs/dbraw/zinc/31/84/63/174318463.db2.gz KNBZUZWOQMJTRX-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN COCCNCc1ccsc1Cl ZINC000336634659 174335661 /nfs/dbraw/zinc/33/56/61/174335661.db2.gz XXNYSIBSZDKXAS-UHFFFAOYSA-N 0 1 205.710 2.138 20 0 BEADMN COCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000045206225 174337733 /nfs/dbraw/zinc/33/77/33/174337733.db2.gz OMHZNIADWFXJLN-SNVBAGLBSA-N 0 1 226.345 2.139 20 0 BEADMN COCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000336657703 174338117 /nfs/dbraw/zinc/33/81/17/174338117.db2.gz PTVIWMRFWRNKKO-QMMMGPOBSA-N 0 1 214.696 2.032 20 0 BEADMN COCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000045205932 174338542 /nfs/dbraw/zinc/33/85/42/174338542.db2.gz PKLKTMCTFWYMMK-VIFPVBQESA-N 0 1 240.372 2.319 20 0 BEADMN COCCOc1ccc(CN[C@@H](C)CF)cc1 ZINC000288502889 174368410 /nfs/dbraw/zinc/36/84/10/174368410.db2.gz RZVJIDRWAMDELI-NSHDSACASA-N 0 1 241.306 2.159 20 0 BEADMN COCC[C@@H](NCc1csnn1)C(C)(C)C ZINC000309672797 174393767 /nfs/dbraw/zinc/39/37/67/174393767.db2.gz WQWQTSGCXCDDEI-SNVBAGLBSA-N 0 1 243.376 2.079 20 0 BEADMN COCc1ccc(CN2CCC(OC)CC2)o1 ZINC000271028225 174622072 /nfs/dbraw/zinc/62/20/72/174622072.db2.gz FSINZJJYLKRLIM-UHFFFAOYSA-N 0 1 239.315 2.037 20 0 BEADMN CONC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000190070237 174662854 /nfs/dbraw/zinc/66/28/54/174662854.db2.gz LEAIXJKBSHULGR-UHFFFAOYSA-N 0 1 245.681 2.434 20 0 BEADMN CO[C@H](CSc1cn[nH]n1)Cc1ccccc1 ZINC000296098125 174871012 /nfs/dbraw/zinc/87/10/12/174871012.db2.gz UJVOTTQFPDMMNZ-NSHDSACASA-N 0 1 249.339 2.155 20 0 BEADMN COc1cc([C@H](C)NCCF)ccc1F ZINC000308824264 175016342 /nfs/dbraw/zinc/01/63/42/175016342.db2.gz QVCDKCQRDBIUIJ-QMMMGPOBSA-N 0 1 215.243 2.454 20 0 BEADMN COc1cc2c(cc1CN(C)C1CC1)OCO2 ZINC000355387353 175021204 /nfs/dbraw/zinc/02/12/04/175021204.db2.gz RXZCHTKVBXZWAS-UHFFFAOYSA-N 0 1 235.283 2.018 20 0 BEADMN COc1cc2c(cc1F)CC[C@@H]2NCCF ZINC000281795200 175022786 /nfs/dbraw/zinc/02/27/86/175022786.db2.gz XYXJQILBQIINRE-NSHDSACASA-N 0 1 227.254 2.381 20 0 BEADMN COc1ccc(-c2n[nH]c(SC)n2)cc1 ZINC000006141887 175037565 /nfs/dbraw/zinc/03/75/65/175037565.db2.gz OBJAGIPEKSJFBJ-UHFFFAOYSA-N 0 1 221.285 2.202 20 0 BEADMN COc1ccc(C)cc1CCNCc1cocn1 ZINC000192281599 175074469 /nfs/dbraw/zinc/07/44/69/175074469.db2.gz OGFHKJOGVWTJAW-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000003747908 175074579 /nfs/dbraw/zinc/07/45/79/175074579.db2.gz OQVCQMPORGWQIP-LBPRGKRZSA-N 0 1 249.310 2.053 20 0 BEADMN COc1ccc(CN(C)Cc2cnc[nH]2)cc1C ZINC000092787104 175095369 /nfs/dbraw/zinc/09/53/69/175095369.db2.gz VGDXJIJGFGABQG-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN COc1ccc(CNCc2ccsc2)cn1 ZINC000020186079 175107798 /nfs/dbraw/zinc/10/77/98/175107798.db2.gz DOEACSTUOJOFRZ-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COc1ccc(CNCc2cccnc2)cc1O ZINC000005880307 175108085 /nfs/dbraw/zinc/10/80/85/175108085.db2.gz JLGFXPPGQKVMIG-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1ccc(CNCc2cc[nH]c2)c(OC)c1 ZINC000090994803 175108167 /nfs/dbraw/zinc/10/81/67/175108167.db2.gz FIHVUNNNKHAOBD-UHFFFAOYSA-N 0 1 246.310 2.322 20 0 BEADMN COc1ccc(F)c(CN(C)CC[C@@H](C)O)c1 ZINC000295380650 175124079 /nfs/dbraw/zinc/12/40/79/175124079.db2.gz PCGPRVPPFRQELQ-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)c(CN(C)CC[C@H](C)O)c1 ZINC000295380641 175124522 /nfs/dbraw/zinc/12/45/22/175124522.db2.gz PCGPRVPPFRQELQ-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)c(CNCc2cccn2C)c1 ZINC000293735557 175125973 /nfs/dbraw/zinc/12/59/73/175125973.db2.gz ZSEROYNZZYFWCZ-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN COc1ccc(F)cc1CN1CC[C@@H](OC)C1 ZINC000361185625 175128251 /nfs/dbraw/zinc/12/82/51/175128251.db2.gz HNTHITFPGGYPDV-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN COc1ccc(F)cc1CNCc1cccn1C ZINC000189207811 175130096 /nfs/dbraw/zinc/13/00/96/175130096.db2.gz TWVGSEOUWKNLFX-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)c(OC)c1 ZINC000290034147 175153025 /nfs/dbraw/zinc/15/30/25/175153025.db2.gz WBYXNTPTGPRPRQ-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1ccc(OC)c(NCc2[nH]ncc2C)c1 ZINC000289509511 175167346 /nfs/dbraw/zinc/16/73/46/175167346.db2.gz MZETWCDTBUEFCE-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1ccc([C@@H](C)NCc2cncn2C)cc1 ZINC000112344507 175176802 /nfs/dbraw/zinc/17/68/02/175176802.db2.gz VYTAOUULNOVNAE-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc([C@@H](C)NCCF)cc1F ZINC000271606787 175177149 /nfs/dbraw/zinc/17/71/49/175177149.db2.gz ATEIZCOJRIWRCS-MRVPVSSYSA-N 0 1 215.243 2.454 20 0 BEADMN COc1cccc(CCCN2CCO[C@H]3C[C@H]32)c1 ZINC000367847273 175251305 /nfs/dbraw/zinc/25/13/05/175251305.db2.gz FHVKZYSXOLTHRC-CABCVRRESA-N 0 1 247.338 2.101 20 0 BEADMN COc1cccc(CCNCc2cscn2)c1 ZINC000060526575 175252793 /nfs/dbraw/zinc/25/27/93/175252793.db2.gz SYWMVYZHFUZGAE-UHFFFAOYSA-N 0 1 248.351 2.484 20 0 BEADMN COc1cccc(CNCc2cnc(C)nc2)c1 ZINC000339288593 175266128 /nfs/dbraw/zinc/26/61/28/175266128.db2.gz YFFAWQOKBDFBMS-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN COc1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC000075841224 175276498 /nfs/dbraw/zinc/27/64/98/175276498.db2.gz BFXOAAVYSFKPRQ-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN COc1cccc(SCc2n[nH]c(C)n2)c1 ZINC000291773690 175285796 /nfs/dbraw/zinc/28/57/96/175285796.db2.gz VVNDIQZIFROJLN-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN COc1cccc([C@@H](C)NC(=O)C(F)(F)F)c1 ZINC000112020904 175286302 /nfs/dbraw/zinc/28/63/02/175286302.db2.gz HOOPVPAGYXYAPP-SSDOTTSWSA-N 0 1 247.216 2.435 20 0 BEADMN COc1ccccc1-c1cc(N)ccn1 ZINC000072191768 175309099 /nfs/dbraw/zinc/30/90/99/175309099.db2.gz WAGAHWXRSSVOJR-UHFFFAOYSA-N 0 1 200.241 2.339 20 0 BEADMN COc1ccccc1-c1noc(CNC(C)C)n1 ZINC000037389723 175311720 /nfs/dbraw/zinc/31/17/20/175311720.db2.gz ZEPIEJDAMOSBSV-UHFFFAOYSA-N 0 1 247.298 2.243 20 0 BEADMN COc1ccccc1/C=C/CNCCF ZINC000280638612 175314888 /nfs/dbraw/zinc/31/48/88/175314888.db2.gz IBSBSZZFHJCLON-GQCTYLIASA-N 0 1 209.264 2.268 20 0 BEADMN COc1ccnc(CN2CCC[C@H]2C)c1OC ZINC000190613442 175358363 /nfs/dbraw/zinc/35/83/63/175358363.db2.gz UJMJGXCSUXFGKP-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN COc1ccsc1CN1CCSCC1 ZINC000271038468 175377753 /nfs/dbraw/zinc/37/77/53/175377753.db2.gz KWKMOFGGHAYTQK-UHFFFAOYSA-N 0 1 229.370 2.306 20 0 BEADMN COc1coc(CN(C)CC(C)(C)C)cc1=O ZINC000268545948 175387107 /nfs/dbraw/zinc/38/71/07/175387107.db2.gz MAGPINHWNHOSJL-UHFFFAOYSA-N 0 1 239.315 2.126 20 0 BEADMN COc1ncc(C)cc1NCc1[nH]ncc1C ZINC000352834444 175398287 /nfs/dbraw/zinc/39/82/87/175398287.db2.gz IHXQLFALJKDSSB-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN C[C@@H](F)CCN1CCOc2cc(O)ccc2C1 ZINC000336384061 175787415 /nfs/dbraw/zinc/78/74/15/175787415.db2.gz UHBUSOPWJHPXRV-SNVBAGLBSA-N 0 1 239.290 2.335 20 0 BEADMN C[C@@H](NCc1cncn1C)c1ccc(F)cc1 ZINC000112338574 175906288 /nfs/dbraw/zinc/90/62/88/175906288.db2.gz CEDLCFLIUCQCBH-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](O)C1 ZINC000114194437 176014808 /nfs/dbraw/zinc/01/48/08/176014808.db2.gz HUKJFMLJJQYTPD-CABZTGNLSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)[O-] ZINC000049813888 176020732 /nfs/dbraw/zinc/02/07/32/176020732.db2.gz AVNSGAXUKVIYGW-JTQLQIEISA-N 0 1 207.273 2.154 20 0 BEADMN C[C@@H](c1ccccc1)N1CCO[C@]2(CCOC2)C1 ZINC000185180113 176021357 /nfs/dbraw/zinc/02/13/57/176021357.db2.gz MVVDSNMUWPXCHE-DZGCQCFKSA-N 0 1 247.338 2.239 20 0 BEADMN C[C@@H](c1ccccc1)N1CC[C@@](F)(CO)C1 ZINC000309430457 176022406 /nfs/dbraw/zinc/02/24/06/176022406.db2.gz FKNXOUBVUWLALA-AAEUAGOBSA-N 0 1 223.291 2.154 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000177102905 176026140 /nfs/dbraw/zinc/02/61/40/176026140.db2.gz QIMQWDFKPMIYOE-RYUDHWBXSA-N 0 1 220.316 2.253 20 0 BEADMN C[C@@H](c1ccccn1)N(C)C[C@@H]1CCCO1 ZINC000177102905 176026143 /nfs/dbraw/zinc/02/61/43/176026143.db2.gz QIMQWDFKPMIYOE-RYUDHWBXSA-N 0 1 220.316 2.253 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)[O-] ZINC000049932652 176033136 /nfs/dbraw/zinc/03/31/36/176033136.db2.gz NLYFWPVDPRHDLF-QMMMGPOBSA-N 0 1 213.302 2.216 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)CCn1cncn1 ZINC000264137979 176033255 /nfs/dbraw/zinc/03/32/55/176033255.db2.gz UBTCXOOSQGBAOZ-JTQLQIEISA-N 0 1 236.344 2.033 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](O)C1 ZINC000305836024 176039771 /nfs/dbraw/zinc/03/97/71/176039771.db2.gz XAMGTSKRCROUKA-WDEREUQCSA-N 0 1 246.310 2.346 20 0 BEADMN C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000336455629 176067281 /nfs/dbraw/zinc/06/72/81/176067281.db2.gz AOBVNWUBMJJIRI-SNVBAGLBSA-N 0 1 235.331 2.088 20 0 BEADMN C[C@@H]1CCCCN1C(=O)c1cnccc1N(C)C ZINC000273982562 176069987 /nfs/dbraw/zinc/06/99/87/176069987.db2.gz HVIJBQCQBUVCTN-LLVKDONJSA-N 0 1 247.342 2.162 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000034974424 176072973 /nfs/dbraw/zinc/07/29/73/176072973.db2.gz UNLDCFASSPMHIR-SECBINFHSA-N 0 1 223.272 2.352 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNCc1ncccn1 ZINC000054459615 176077416 /nfs/dbraw/zinc/07/74/16/176077416.db2.gz INHWDYMETLEKDZ-VXGBXAGGSA-N 0 1 219.332 2.393 20 0 BEADMN C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC(=O)[O-] ZINC000042608459 176078948 /nfs/dbraw/zinc/07/89/48/176078948.db2.gz NAWPTNGHEDTYOC-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H]1CCCN1C ZINC000356999531 176085298 /nfs/dbraw/zinc/08/52/98/176085298.db2.gz UYJUVQHUXDOPOX-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc[nH]1 ZINC000263701953 176085385 /nfs/dbraw/zinc/08/53/85/176085385.db2.gz SMOKUOJVXOAYBQ-MWLCHTKSSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000274333271 176100740 /nfs/dbraw/zinc/10/07/40/176100740.db2.gz GIMWXIULSDWOBQ-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3cccnc3n2)[C@@H]1C ZINC000172862371 176101989 /nfs/dbraw/zinc/10/19/89/176101989.db2.gz QUWRYJNPKPEBIN-VXGBXAGGSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)c2cnccc2N)C1 ZINC000187509339 176118582 /nfs/dbraw/zinc/11/85/82/176118582.db2.gz DBVJFEDUKWQLNC-GHMZBOCLSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2CC2)[C@@H]1C ZINC000046060165 176121918 /nfs/dbraw/zinc/12/19/18/176121918.db2.gz CNLLJMLFFVTVRZ-NQBHXWOUSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000037253033 176124975 /nfs/dbraw/zinc/12/49/75/176124975.db2.gz ZFMZDMSQNXUVEM-RKDXNWHRSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H]1CCC[C@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC000180044384 176140693 /nfs/dbraw/zinc/14/06/93/176140693.db2.gz ZRCFGUVHKLITMY-PWSUYJOCSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2c[nH]cn2)C1 ZINC000180044384 176140695 /nfs/dbraw/zinc/14/06/95/176140695.db2.gz ZRCFGUVHKLITMY-PWSUYJOCSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000336352037 176148179 /nfs/dbraw/zinc/14/81/79/176148179.db2.gz DBWOZWXIGJGBSF-ZJUUUORDSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@@H]1C ZINC000128100589 176162307 /nfs/dbraw/zinc/16/23/07/176162307.db2.gz DYYJRRUGYPSNPI-RKDXNWHRSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccc(F)cc2O)[C@@H]1C ZINC000124026297 176163178 /nfs/dbraw/zinc/16/31/78/176163178.db2.gz VOMXUEBWPWDTGM-RKDXNWHRSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000183851650 176165582 /nfs/dbraw/zinc/16/55/82/176165582.db2.gz SGZYMFXJZBPDIO-GHMZBOCLSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@@H]1CCN(Cc2ccccc2F)C[C@H]1O ZINC000299891175 176176002 /nfs/dbraw/zinc/17/60/02/176176002.db2.gz JBJGCCWIROSJIU-ZWNOBZJWSA-N 0 1 223.291 2.028 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2ccncc2C(N)=O)[C@H](C)C1 ZINC000302217877 176214617 /nfs/dbraw/zinc/21/46/17/176214617.db2.gz KLYAMWOMGKIQJY-CKYFFXLPSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@@H]1CC[C@H](CN(C)CCC(F)(F)F)O1 ZINC000336690768 176224204 /nfs/dbraw/zinc/22/42/04/176224204.db2.gz KCPVTDCMUKQNEG-RKDXNWHRSA-N 0 1 225.254 2.438 20 0 BEADMN C[C@@H]1CC[C@H](Nc2ccncc2C(N)=O)[C@H](C)C1 ZINC000302217878 176235268 /nfs/dbraw/zinc/23/52/68/176235268.db2.gz KLYAMWOMGKIQJY-FOGDFJRCSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC000179338253 176259811 /nfs/dbraw/zinc/25/98/11/176259811.db2.gz CNADCAQRFWQBCO-NXEZZACHSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H]1CN(CC[S@](=O)c2ccccc2)[C@@H]1C ZINC000339572166 176294004 /nfs/dbraw/zinc/29/40/04/176294004.db2.gz BUXQIIYVSPCODO-HSMVNMDESA-N 0 1 237.368 2.134 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000336123827 176298095 /nfs/dbraw/zinc/29/80/95/176298095.db2.gz VPDZXKSTZFJNKM-NXEZZACHSA-N 0 1 219.275 2.143 20 0 BEADMN C[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1C ZINC000275759205 176301275 /nfs/dbraw/zinc/30/12/75/176301275.db2.gz UNYJIVSKQGOIQV-RKDXNWHRSA-N 0 1 227.739 2.161 20 0 BEADMN C[C@@H]1CN(Cc2cccc3nccn32)CCS1 ZINC000180041368 176305683 /nfs/dbraw/zinc/30/56/83/176305683.db2.gz ARWDLLMJKPGUNA-LLVKDONJSA-N 0 1 247.367 2.272 20 0 BEADMN C[C@@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@H]1C ZINC000336350620 176311841 /nfs/dbraw/zinc/31/18/41/176311841.db2.gz MAHRSUKLYHGOIU-NXEZZACHSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@@H]1CN(Cc2nnc(C3CC3)[nH]2)C(C)(C)C1 ZINC000336447073 176312353 /nfs/dbraw/zinc/31/23/53/176312353.db2.gz JAUNSNNJPQACMB-VIFPVBQESA-N 0 1 234.347 2.303 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000307226018 176359765 /nfs/dbraw/zinc/35/97/65/176359765.db2.gz FLCVIRSRHPARMT-DGCLKSJQSA-N 0 1 233.311 2.229 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1 ZINC000336435941 176383188 /nfs/dbraw/zinc/38/31/88/176383188.db2.gz CGBZWMITRPDYRO-BXKDBHETSA-N 0 1 225.719 2.295 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CSC2(C)C)c2nccn21 ZINC000296615096 176426173 /nfs/dbraw/zinc/42/61/73/176426173.db2.gz YSZUSVMMGIYSFB-UTLUCORTSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@@H]1OCCN(CCc2ccccc2)[C@H]1C ZINC000139344409 176466926 /nfs/dbraw/zinc/46/69/26/176466926.db2.gz WEZILPMUTKJYET-STQMWFEESA-N 0 1 219.328 2.338 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccc(F)c1 ZINC000082330490 176491158 /nfs/dbraw/zinc/49/11/58/176491158.db2.gz PEVDLYNVZVPQJB-SKDRFNHKSA-N 0 1 237.274 2.121 20 0 BEADMN C[C@@](O)(CNCc1c(F)cccc1F)C1CC1 ZINC000310172879 176518422 /nfs/dbraw/zinc/51/84/22/176518422.db2.gz UMPDLAUMZFNRBZ-CYBMUJFWSA-N 0 1 241.281 2.215 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000054069004 176582344 /nfs/dbraw/zinc/58/23/44/176582344.db2.gz FPWJZOQJNMYITF-LLVKDONJSA-N 0 1 221.300 2.024 20 0 BEADMN CCc1ncc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000668299206 487634713 /nfs/dbraw/zinc/63/47/13/487634713.db2.gz XQCJTRGDJQIUNN-STQMWFEESA-N 0 1 231.343 2.413 20 0 BEADMN CCc1ncc(CN2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000668299206 487634716 /nfs/dbraw/zinc/63/47/16/487634716.db2.gz XQCJTRGDJQIUNN-STQMWFEESA-N 0 1 231.343 2.413 20 0 BEADMN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1F ZINC000134628906 176891968 /nfs/dbraw/zinc/89/19/68/176891968.db2.gz QKNYRXNYNVNPQQ-SDDRHHMPSA-N 0 1 235.302 2.413 20 0 BEADMN C[C@H](O)C[C@H]1CCCCN1Cc1nccs1 ZINC000163099405 177001284 /nfs/dbraw/zinc/00/12/84/177001284.db2.gz LLIAOJVHBQCEST-WDEREUQCSA-N 0 1 240.372 2.269 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000162809178 177009780 /nfs/dbraw/zinc/00/97/80/177009780.db2.gz IWABQXSTSWSKKE-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCC(=O)[O-] ZINC000083662857 177034421 /nfs/dbraw/zinc/03/44/21/177034421.db2.gz OCFXLYVBLCNCKT-MRVPVSSYSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@H](c1ccccc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000336548442 177038865 /nfs/dbraw/zinc/03/88/65/177038865.db2.gz YLXFOXRCIXUAOD-OCCSQVGLSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@H](c1ccccc1F)N(C)Cc1nnc[nH]1 ZINC000174824294 177041546 /nfs/dbraw/zinc/04/15/46/177041546.db2.gz VLIZZAGFJXGFSP-SECBINFHSA-N 0 1 234.278 2.137 20 0 BEADMN C[C@H](c1ccccn1)N(C)CCOCC(F)F ZINC000189778598 177042798 /nfs/dbraw/zinc/04/27/98/177042798.db2.gz MSTBLPDZDOKZIO-SNVBAGLBSA-N 0 1 244.285 2.356 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)CCC(=O)[O-] ZINC000049932653 177048505 /nfs/dbraw/zinc/04/85/05/177048505.db2.gz NLYFWPVDPRHDLF-MRVPVSSYSA-N 0 1 213.302 2.216 20 0 BEADMN C[C@H](c1cnccn1)N(C)C[C@@H]1CCCCO1 ZINC000274246869 177051413 /nfs/dbraw/zinc/05/14/13/177051413.db2.gz FPDBACBLDRCKDH-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CC[C@@](C)(O)C1 ZINC000181134844 177054125 /nfs/dbraw/zinc/05/41/25/177054125.db2.gz XZDSLHWUEYWICN-QMTHXVAHSA-N 0 1 246.310 2.346 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](O)C1 ZINC000305836013 177054601 /nfs/dbraw/zinc/05/46/01/177054601.db2.gz XAMGTSKRCROUKA-GHMZBOCLSA-N 0 1 246.310 2.346 20 0 BEADMN C[C@H]1CC/C(=C\C(=O)NCCN2CC=CCC2)C1 ZINC000280292094 177067127 /nfs/dbraw/zinc/06/71/27/177067127.db2.gz RGOKKARZCFIKSH-REQDGWNSSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000192903265 177079737 /nfs/dbraw/zinc/07/97/37/177079737.db2.gz VYLZGZGKAOUJOP-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H]1CCCC[C@@H]1NCc1csnn1 ZINC000036901935 177083629 /nfs/dbraw/zinc/08/36/29/177083629.db2.gz DKPPSBRFSYTRAA-WPRPVWTQSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000163497980 177094639 /nfs/dbraw/zinc/09/46/39/177094639.db2.gz LGLPWMUANHUNHJ-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCCC(=O)[O-])[C@H]1C ZINC000251612782 177098001 /nfs/dbraw/zinc/09/80/01/177098001.db2.gz CEUXZBZYGBEIPN-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000274333269 177101714 /nfs/dbraw/zinc/10/17/14/177101714.db2.gz GIMWXIULSDWOBQ-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN C[C@H]1CCC[C@@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000042493593 177119952 /nfs/dbraw/zinc/11/99/52/177119952.db2.gz SBLNQEFCQGDTPZ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCC[C@@H](COCCc2c[nH]nn2)C1 ZINC000331239319 177120283 /nfs/dbraw/zinc/12/02/83/177120283.db2.gz JZYLFPZUWFEECA-WDEREUQCSA-N 0 1 223.320 2.190 20 0 BEADMN C[C@H]1CCC[C@@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC000180044433 177120690 /nfs/dbraw/zinc/12/06/90/177120690.db2.gz ZRCFGUVHKLITMY-CMPLNLGQSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@H]1CCC[C@@H]([N@@H+](C)Cc2c[nH]cn2)C1 ZINC000180044433 177120693 /nfs/dbraw/zinc/12/06/93/177120693.db2.gz ZRCFGUVHKLITMY-CMPLNLGQSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@H]1CCC[C@@]1(C)c1nc(C2(N)CCC2)no1 ZINC000334865560 177128522 /nfs/dbraw/zinc/12/85/22/177128522.db2.gz GQNCPNBRXGWVQW-JOYOIKCWSA-N 0 1 235.331 2.485 20 0 BEADMN C[C@H]1CCC[C@H](NCc2ncccn2)C1 ZINC000054459144 177137365 /nfs/dbraw/zinc/13/73/65/177137365.db2.gz CCDGHJMBPNUCTF-QWRGUYRKSA-N 0 1 205.305 2.145 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1c(O)cccc1F ZINC000128100778 177152464 /nfs/dbraw/zinc/15/24/64/177152464.db2.gz DYYJRRUGYPSNPI-DTWKUNHWSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1CC(=O)c1cccn1C ZINC000051733534 177158560 /nfs/dbraw/zinc/15/85/60/177158560.db2.gz GXNBBEROUQJWKL-NWDGAFQWSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1CCN(Cc2cc(F)ccc2F)[C@@H]1CO ZINC000189725329 177163405 /nfs/dbraw/zinc/16/34/05/177163405.db2.gz AMGRVHDHYXZUKL-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2nccn2C)CC1(C)C ZINC000336405415 177168510 /nfs/dbraw/zinc/16/85/10/177168510.db2.gz QTSCVDTVVHNMLM-NSHDSACASA-N 0 1 221.348 2.288 20 0 BEADMN C[C@H]1CCOCCN1Cc1ccccc1F ZINC000374982682 177177660 /nfs/dbraw/zinc/17/76/60/177177660.db2.gz UIMJNYCNZYXBMO-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CC[C@@H](CN(C)Cc2ccco2)O1 ZINC000188536134 177189505 /nfs/dbraw/zinc/18/95/05/177189505.db2.gz AOXUODWTCMTLJV-JQWIXIFHSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(Cc3ccn(C)n3)C2)C1 ZINC000335737105 177196422 /nfs/dbraw/zinc/19/64/22/177196422.db2.gz SZZIGVNYCJRJPW-GXTWGEPZSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2cn3cccnc3n2)C1 ZINC000174014450 177199355 /nfs/dbraw/zinc/19/93/55/177199355.db2.gz UAZYZMQXFUSIRV-RYUDHWBXSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H]1CC[C@H](CN2CCc3ccc(O)cc3C2)O1 ZINC000334151273 177201665 /nfs/dbraw/zinc/20/16/65/177201665.db2.gz QGSKSRBEIXMOTE-XHDPSFHLSA-N 0 1 247.338 2.318 20 0 BEADMN C[C@H]1CN(C(=O)C2CCCCC2)[C@@H](C)CN1C ZINC000336527765 177214182 /nfs/dbraw/zinc/21/41/82/177214182.db2.gz CJDUERKKOFYTSQ-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C(=O)CC2CCCCC2)C[C@H](C)N1 ZINC000070076414 177214931 /nfs/dbraw/zinc/21/49/31/177214931.db2.gz MUHNWWQCPZNTJY-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)N1CCN[C@@H](C)C1 ZINC000237623764 177223833 /nfs/dbraw/zinc/22/38/33/177223833.db2.gz YUDLONXXGVTTHT-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CN(CCCCO)[C@@H](c2ccccc2)CO1 ZINC000266526505 177247684 /nfs/dbraw/zinc/24/76/84/177247684.db2.gz DTVYFAFEUPLOJX-DZGCQCFKSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H]1CN(CCCOCc2ccccc2)CCO1 ZINC000182160354 177249697 /nfs/dbraw/zinc/24/96/97/177249697.db2.gz ICGQCZVLBKFRPW-AWEZNQCLSA-N 0 1 249.354 2.314 20 0 BEADMN C[C@H]1CN(CCCc2cccc(F)c2)CCO1 ZINC000182588842 177249798 /nfs/dbraw/zinc/24/97/98/177249798.db2.gz GMFYPRNFHWMSHZ-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN C[C@H]1CN(CCOC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000373510687 177252465 /nfs/dbraw/zinc/25/24/65/177252465.db2.gz UOHBUNVFXMTNII-AAEUAGOBSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@H]1CN(CCc2cccnc2)C[C@@H](C2CC2)O1 ZINC000279337300 177256556 /nfs/dbraw/zinc/25/65/56/177256556.db2.gz PHXCFJWXTDYYJI-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000271042242 177265497 /nfs/dbraw/zinc/26/54/97/177265497.db2.gz NZNUTJNZCQQEIZ-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN C[C@H]1CN(Cc2sccc2Cl)C[C@H]1O ZINC000307585749 177272238 /nfs/dbraw/zinc/27/22/38/177272238.db2.gz NAUVUNPKDHWXAX-IONNQARKSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@H]1CNCCN1C(=O)CCCC1CCCC1 ZINC000125984803 177283185 /nfs/dbraw/zinc/28/31/85/177283185.db2.gz VERZFVXNTSSXSW-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1COCCN(CCC(=O)c2ccccc2)C1 ZINC000367954310 177288462 /nfs/dbraw/zinc/28/84/62/177288462.db2.gz GZULOCPAQYJAOA-CYBMUJFWSA-N 0 1 247.338 2.228 20 0 BEADMN C[C@H]1CCN(c2ncnc3[nH]cnc32)C[C@@H](C)C1 ZINC000301762123 177310543 /nfs/dbraw/zinc/31/05/43/177310543.db2.gz DHMOQFSIKPBIKA-UWVGGRQHSA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000051330171 177312959 /nfs/dbraw/zinc/31/29/59/177312959.db2.gz JMVXQNIPDFBKBM-AOOOYVTPSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000276671342 177345211 /nfs/dbraw/zinc/34/52/11/177345211.db2.gz SZOOTQFEDVJQPJ-VHSXEESVSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1sccc1Cl ZINC000306955299 177374676 /nfs/dbraw/zinc/37/46/76/177374676.db2.gz QEZGTKZYJKSVFQ-YUMQZZPRSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1N(C[C@@H]2CCC(C)(C)O2)CCOC1(C)C ZINC000336724255 177392834 /nfs/dbraw/zinc/39/28/34/177392834.db2.gz KUSINKCWXJKZRJ-NEPJUHHUSA-N 0 1 241.375 2.443 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1nc2ccccc2o1 ZINC000038024165 487638907 /nfs/dbraw/zinc/63/89/07/487638907.db2.gz CROBXVYDAHUMKZ-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CC[C@H](C)C2)[nH]1 ZINC001652464226 1173086729 /nfs/dbraw/zinc/08/67/29/1173086729.db2.gz WRLFYKXNDJBIQS-VHSXEESVSA-N 0 1 235.331 2.025 20 0 BEADMN COCCN(Cc1ncccn1)[C@H]1CCC[C@@H]1C ZINC000488088754 225346656 /nfs/dbraw/zinc/34/66/56/225346656.db2.gz ILNLCNMJCMZXQB-STQMWFEESA-N 0 1 249.358 2.114 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc(C)c(C)[nH]2)C12CCC2 ZINC000568273069 322933054 /nfs/dbraw/zinc/93/30/54/322933054.db2.gz IYEUYTCFHMRDOF-RYUDHWBXSA-N 0 1 249.358 2.074 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000665924440 487647736 /nfs/dbraw/zinc/64/77/36/487647736.db2.gz XAXDKIHAUXPRHF-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(F)cc1 ZINC000079487076 487648861 /nfs/dbraw/zinc/64/88/61/487648861.db2.gz WFTLNBSQSTZQSG-CYBMUJFWSA-N 0 1 237.274 2.265 20 0 BEADMN FCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493952713 226259210 /nfs/dbraw/zinc/25/92/10/226259210.db2.gz NEAWSHHBYQBMAD-RYUDHWBXSA-N 0 1 245.244 2.354 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000079497280 487650588 /nfs/dbraw/zinc/65/05/88/487650588.db2.gz BRIXXKKUOCDIHJ-CQSZACIVSA-N 0 1 233.311 2.434 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(F)c1 ZINC000079488347 487650606 /nfs/dbraw/zinc/65/06/06/487650606.db2.gz ZHGXBBJBGCEMJW-ZDUSSCGKSA-N 0 1 237.274 2.265 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCc1ccccc1 ZINC000079489676 487650150 /nfs/dbraw/zinc/65/01/50/487650150.db2.gz RNKFSIMAVRIHQC-CQSZACIVSA-N 0 1 233.311 2.168 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1F ZINC000079488759 487650226 /nfs/dbraw/zinc/65/02/26/487650226.db2.gz CKYGIJDGJHCGMK-ZDUSSCGKSA-N 0 1 237.274 2.265 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2OCC[C@@H]2C)n1 ZINC000414615634 487652715 /nfs/dbraw/zinc/65/27/15/487652715.db2.gz GZINOQUDHQROGD-IVZWLZJFSA-N 0 1 239.319 2.213 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(O)c(C)cc1C ZINC000680824037 487652277 /nfs/dbraw/zinc/65/22/77/487652277.db2.gz WVZFFCNDODUNIJ-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)C(C)(F)F ZINC000328328385 487657423 /nfs/dbraw/zinc/65/74/23/487657423.db2.gz GSZBGWSEKPNPJJ-NKWVEPMBSA-N 0 1 231.246 2.253 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)CCC(=O)N2 ZINC000557482863 322938101 /nfs/dbraw/zinc/93/81/01/322938101.db2.gz WYBLRDJFQKSUKR-VIFPVBQESA-N 0 1 236.290 2.191 20 0 BEADMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC(C)C1 ZINC000557481762 322938131 /nfs/dbraw/zinc/93/81/31/322938131.db2.gz QYABJLGUQXWMBJ-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN CN(C)c1cccc(CSc2cn[nH]n2)c1 ZINC000675111009 487669362 /nfs/dbraw/zinc/66/93/62/487669362.db2.gz MOSGMQLIMQKOPH-UHFFFAOYSA-N 0 1 234.328 2.163 20 0 BEADMN C[C@H](C(=O)N(C)[C@@H]1CCc2ccccc21)N(C)C ZINC000145793402 487669459 /nfs/dbraw/zinc/66/94/59/487669459.db2.gz BSWPWSUWXFKKJC-BXUZGUMPSA-N 0 1 246.354 2.082 20 0 BEADMN CC(C)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612203 487670378 /nfs/dbraw/zinc/67/03/78/487670378.db2.gz MFGUWIKDZHCWEE-ZDUSSCGKSA-N 0 1 233.311 2.326 20 0 BEADMN CCCC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557245 487672020 /nfs/dbraw/zinc/67/20/20/487672020.db2.gz IDLRLRIXQDUBLS-VIFPVBQESA-N 0 1 239.237 2.126 20 0 BEADMN CO[C@H]1C[C@H](NCc2nccs2)C12CCC2 ZINC000308340557 229227572 /nfs/dbraw/zinc/22/75/72/229227572.db2.gz IEDGIRMUVDXLMC-UWVGGRQHSA-N 0 1 238.356 2.190 20 0 BEADMN CC(C)(CC(N)=O)NCc1ccsc1Cl ZINC000312568156 487674225 /nfs/dbraw/zinc/67/42/25/487674225.db2.gz YSDFXAVXTDLBGY-UHFFFAOYSA-N 0 1 246.763 2.145 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000675178838 487677705 /nfs/dbraw/zinc/67/77/05/487677705.db2.gz CJZUMVASTHVJPI-OCCSQVGLSA-N 0 1 238.375 2.119 20 0 BEADMN CCCc1ccccc1NC(=O)N1CCNCC1 ZINC000414781658 487682628 /nfs/dbraw/zinc/68/26/28/487682628.db2.gz NRAMUQICOVJJBN-UHFFFAOYSA-N 0 1 247.342 2.076 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)CCc1cnc[nH]1 ZINC000457189067 487682853 /nfs/dbraw/zinc/68/28/53/487682853.db2.gz HETMJAZRFSRBCQ-SNVBAGLBSA-N 0 1 237.347 2.283 20 0 BEADMN c1cn2c(n1)[C@@H](NCCc1cscn1)CCC2 ZINC000655724304 487683899 /nfs/dbraw/zinc/68/38/99/487683899.db2.gz UGBRYUIEUJKRFC-NSHDSACASA-N 0 1 248.355 2.007 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000665874271 487684678 /nfs/dbraw/zinc/68/46/78/487684678.db2.gz BURAOKHMZCKSIS-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN CCC(C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000680998198 487690027 /nfs/dbraw/zinc/69/00/27/487690027.db2.gz VOEBRFPXCUSMJE-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CCC(C)(CC)C(=O)NCc1cn[nH]c1C ZINC000680996886 487690160 /nfs/dbraw/zinc/69/01/60/487690160.db2.gz BWKMVHAMGXDDEM-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CCCC[C@H](CC)CNC(=O)C1(N(C)C)CC1 ZINC000666005748 487691722 /nfs/dbraw/zinc/69/17/22/487691722.db2.gz XITRWERVQDKCDL-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN COc1cc(C)ccc1CN1CCCOCC1 ZINC000336215339 487691936 /nfs/dbraw/zinc/69/19/36/487691936.db2.gz BEZHGISWCHYDIT-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN Fc1cccc([C@@H]2C[C@@H]2N2CCCOCC2)c1 ZINC000336279364 487694772 /nfs/dbraw/zinc/69/47/72/487694772.db2.gz VUDMLAWJQRBSFI-KBPBESRZSA-N 0 1 235.302 2.404 20 0 BEADMN c1cc(CNC[C@H]2Cc3ccccc32)no1 ZINC000088053339 487696229 /nfs/dbraw/zinc/69/62/29/487696229.db2.gz GRKAAOPPSXQQNG-LLVKDONJSA-N 0 1 214.268 2.104 20 0 BEADMN c1cc(CNC[C@@H]2Cc3ccccc32)no1 ZINC000088053340 487696704 /nfs/dbraw/zinc/69/67/04/487696704.db2.gz GRKAAOPPSXQQNG-NSHDSACASA-N 0 1 214.268 2.104 20 0 BEADMN O=C(CC1CC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000527484237 262847788 /nfs/dbraw/zinc/84/77/88/262847788.db2.gz ARHUHOAWEHHWEJ-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN CC[C@H](O)CNCc1c(F)ccc(F)c1Cl ZINC000527711271 262874852 /nfs/dbraw/zinc/87/48/52/262874852.db2.gz SQYQDIHDILRYSW-ZETCQYMHSA-N 0 1 249.688 2.479 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2CCC2)Cc2ccccc21 ZINC000088133832 487706463 /nfs/dbraw/zinc/70/64/63/487706463.db2.gz RUYWACAHKJFVOC-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN COc1cc(CN2CC[C@@H](C)C[C@H]2C)on1 ZINC000660862212 487707631 /nfs/dbraw/zinc/70/76/31/487707631.db2.gz PNPKAECGJHNAPX-NXEZZACHSA-N 0 1 224.304 2.304 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000042308482 487713461 /nfs/dbraw/zinc/71/34/61/487713461.db2.gz DVSKJYRANITYIU-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1F ZINC000674244383 487715749 /nfs/dbraw/zinc/71/57/49/487715749.db2.gz NIRORHOGPXQEQA-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN CSc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC000674244454 487716274 /nfs/dbraw/zinc/71/62/74/487716274.db2.gz OVQKYWFVKXFGHR-VIFPVBQESA-N 0 1 238.356 2.297 20 0 BEADMN Cc1oncc1NCc1[nH]nc2ccccc21 ZINC000681083379 487717478 /nfs/dbraw/zinc/71/74/78/487717478.db2.gz UWTBWOGSPYQOPE-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN C[C@@H](C(=O)N1CC(C)(C)CC(C)(C)C1)N(C)C ZINC000681086374 487717258 /nfs/dbraw/zinc/71/72/58/487717258.db2.gz OMYKUHJJOQGENC-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)[C@H](C(=O)[O-])C1CC1 ZINC000086437901 487721526 /nfs/dbraw/zinc/72/15/26/487721526.db2.gz MQMBPRQKMUWJNM-KOLCDFICSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C ZINC000675432785 487723872 /nfs/dbraw/zinc/72/38/72/487723872.db2.gz IEYIUKLUALUXCA-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN CCCC1(CNC(=O)c2ccc(CN)o2)CC1 ZINC000226385016 487723972 /nfs/dbraw/zinc/72/39/72/487723972.db2.gz HDYNETCZNXKDJN-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000903597432 584785976 /nfs/dbraw/zinc/78/59/76/584785976.db2.gz LWUSMFXVYFPTPI-GXSJLCMTSA-N 0 1 213.321 2.218 20 0 BEADMN CCNC(=O)CN[C@H](CC)c1ccccc1F ZINC000163459236 487728885 /nfs/dbraw/zinc/72/88/85/487728885.db2.gz JNZANLKPOUBYRW-GFCCVEGCSA-N 0 1 238.306 2.003 20 0 BEADMN CC(C)c1ccc2c(c1)C[N@H+](CC(=O)[O-])CC2 ZINC000082791332 487734380 /nfs/dbraw/zinc/73/43/80/487734380.db2.gz OEPUCXZZZKWZAE-UHFFFAOYSA-N 0 1 233.311 2.253 20 0 BEADMN C[C@H]1CCC[C@H](CCNCc2ncnn2C)C1 ZINC000088572237 487734783 /nfs/dbraw/zinc/73/47/83/487734783.db2.gz MNEZDNLXPGDXQF-NWDGAFQWSA-N 0 1 236.363 2.121 20 0 BEADMN CC(C)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000082791547 487735152 /nfs/dbraw/zinc/73/51/52/487735152.db2.gz OBFCEMGHGDXJGQ-UHFFFAOYSA-N 0 1 219.284 2.151 20 0 BEADMN CCn1ncnc1CNCCC1=CCCCC1 ZINC000088591435 487736944 /nfs/dbraw/zinc/73/69/44/487736944.db2.gz XRJWZACIIQVQPZ-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccncc1 ZINC000679051643 487742498 /nfs/dbraw/zinc/74/24/98/487742498.db2.gz XTXUTBVEWVDCRX-NSHDSACASA-N 0 1 244.342 2.401 20 0 BEADMN CCOc1ccc(-n2[nH]c(C)c(C)c2=O)cc1 ZINC000233804545 487743259 /nfs/dbraw/zinc/74/32/59/487743259.db2.gz RDBHOOXYSVRUBH-VIFPVBQESA-N 0 1 232.283 2.444 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)CC(C)C)C[C@H]1C ZINC000680931943 487747255 /nfs/dbraw/zinc/74/72/55/487747255.db2.gz CBIROQHYRDLSJU-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](Cc1ccsc1)NCc1ncccn1 ZINC000054459490 487753612 /nfs/dbraw/zinc/75/36/12/487753612.db2.gz DLYZWQUWFDFZNV-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3[C@@H]4CCC[C@@H]43)n2)C1 ZINC000251413172 487755311 /nfs/dbraw/zinc/75/53/11/487755311.db2.gz RHDANIQBSCRMBA-RGOKHQFPSA-N 0 1 219.288 2.008 20 0 BEADMN C[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000681271217 487765803 /nfs/dbraw/zinc/76/58/03/487765803.db2.gz NGPWQKCMIPACQS-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@](C)(CCO)NCc1nc2ccccc2o1 ZINC000675695530 487767483 /nfs/dbraw/zinc/76/74/83/487767483.db2.gz DJHBRDQUEZCBPK-CQSZACIVSA-N 0 1 248.326 2.469 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(F)cc1 ZINC000293677994 487769346 /nfs/dbraw/zinc/76/93/46/487769346.db2.gz VFJVYDFLYJJGCZ-GFCCVEGCSA-N 0 1 209.264 2.046 20 0 BEADMN CC(C)C(C)(C)C(=O)NCCN1CC=CCC1 ZINC000357632057 487771888 /nfs/dbraw/zinc/77/18/88/487771888.db2.gz JUJBBPXBHUGTSS-UHFFFAOYSA-N 0 1 238.375 2.047 20 0 BEADMN CC[C@H]1CN(C)CCN1c1cc(C(C)C)ncn1 ZINC000555249740 487773517 /nfs/dbraw/zinc/77/35/17/487773517.db2.gz ZCMRHEYUAJHGLR-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN CC(C)C1CN(C(=O)c2c(O)cccc2F)C1 ZINC000681330223 487778231 /nfs/dbraw/zinc/77/82/31/487778231.db2.gz WABZRUMSKKCEOF-UHFFFAOYSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@H]1CCCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000681363513 487784590 /nfs/dbraw/zinc/78/45/90/487784590.db2.gz NOZULNKHQUDSQP-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000187727555 487792989 /nfs/dbraw/zinc/79/29/89/487792989.db2.gz CVALLJVKTWZBRL-XHDPSFHLSA-N 0 1 231.405 2.408 20 0 BEADMN Cc1cc(CNCC(C)(C)C(F)(F)F)nn1C ZINC000666364203 487794127 /nfs/dbraw/zinc/79/41/27/487794127.db2.gz SHOJOTAEKRHBHP-UHFFFAOYSA-N 0 1 249.280 2.407 20 0 BEADMN O=C(C1CC1)[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 ZINC000340573676 487794829 /nfs/dbraw/zinc/79/48/29/487794829.db2.gz FCHTXJRLCBOZII-JSGCOSHPSA-N 0 1 249.354 2.023 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H]2C[C@@H]21 ZINC000672133348 487795475 /nfs/dbraw/zinc/79/54/75/487795475.db2.gz CKGHNZVQUVSHOX-KCJUWKMLSA-N 0 1 235.258 2.156 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1csc(C)n1 ZINC000300985678 487796941 /nfs/dbraw/zinc/79/69/41/487796941.db2.gz LAKNPBKDKLEHRF-MRVPVSSYSA-N 0 1 228.361 2.355 20 0 BEADMN COCCC1CN(Cc2sccc2OC)C1 ZINC000668472587 487798661 /nfs/dbraw/zinc/79/86/61/487798661.db2.gz DOROSZLVJXFYKX-UHFFFAOYSA-N 0 1 241.356 2.225 20 0 BEADMN COCCC1CN(Cc2ccccc2OC)C1 ZINC000668473881 487799405 /nfs/dbraw/zinc/79/94/05/487799405.db2.gz FBFJZERGEMFAOH-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)nn1C ZINC000676026066 487800426 /nfs/dbraw/zinc/80/04/26/487800426.db2.gz FQCCEBYZUAOPCZ-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)nn1C ZINC000676026066 487800431 /nfs/dbraw/zinc/80/04/31/487800431.db2.gz FQCCEBYZUAOPCZ-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000071425001 487801252 /nfs/dbraw/zinc/80/12/52/487801252.db2.gz PIVUPROLDHRYGC-CQSZACIVSA-N 0 1 247.338 2.334 20 0 BEADMN CC(C)(C)c1ccncc1CNCc1cn[nH]c1 ZINC000666417206 487803295 /nfs/dbraw/zinc/80/32/95/487803295.db2.gz JNCVKFMUSBHMAM-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1csnn1 ZINC000414298417 487803479 /nfs/dbraw/zinc/80/34/79/487803479.db2.gz IJXSWUQRQSCXEB-FXBDTBDDSA-N 0 1 223.345 2.377 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncc(C)c2)[nH]n1 ZINC000681053315 487804539 /nfs/dbraw/zinc/80/45/39/487804539.db2.gz VETCUYBYFNGAMW-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncc(C)c2)n[nH]1 ZINC000681053315 487804543 /nfs/dbraw/zinc/80/45/43/487804543.db2.gz VETCUYBYFNGAMW-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000651632716 487804706 /nfs/dbraw/zinc/80/47/06/487804706.db2.gz VAEALWLEJJIIQW-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccco1 ZINC000414309513 487804768 /nfs/dbraw/zinc/80/47/68/487804768.db2.gz XVPUVLFTKWGQPA-NGZCFLSTSA-N 0 1 245.269 2.479 20 0 BEADMN C[C@H]1COCCCN1Cc1cc2cnccc2o1 ZINC000651642974 487809719 /nfs/dbraw/zinc/80/97/19/487809719.db2.gz MKQKNRUHVQQNDF-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)C(C)(C)C1 ZINC000380374005 487812489 /nfs/dbraw/zinc/81/24/89/487812489.db2.gz FHYHPVOTGHHLLJ-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN CN(Cc1cnnn1-c1ccccc1)C1CCC1 ZINC000676192087 487818434 /nfs/dbraw/zinc/81/84/34/487818434.db2.gz MWZNXJYCDMOOJI-UHFFFAOYSA-N 0 1 242.326 2.252 20 0 BEADMN COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)[O-] ZINC000676233210 487824443 /nfs/dbraw/zinc/82/44/43/487824443.db2.gz DTQKGQZKOURJAX-GFCCVEGCSA-N 0 1 249.310 2.307 20 0 BEADMN C[C@H](N[C@H]1CCCCC[C@@H]1C)c1ncn(C)n1 ZINC000651779158 487826692 /nfs/dbraw/zinc/82/66/92/487826692.db2.gz XPHUWYBDDZAZHX-SRVKXCTJSA-N 0 1 236.363 2.435 20 0 BEADMN CC(C)N(C)Cc1cnnn1-c1ccccc1 ZINC000676244434 487828603 /nfs/dbraw/zinc/82/86/03/487828603.db2.gz DYRZUWDTQQFNJD-UHFFFAOYSA-N 0 1 230.315 2.108 20 0 BEADMN CC(C)C(=O)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000808744908 586486991 /nfs/dbraw/zinc/48/69/91/586486991.db2.gz FGAGFMBOPMCVTG-MNOVXSKESA-N 0 1 215.312 2.282 20 0 BEADMN Cc1ncc([C@@H](C)N(C)C[C@H]2CCCO2)c(C)n1 ZINC000681659142 487833140 /nfs/dbraw/zinc/83/31/40/487833140.db2.gz VGPQPDHBMDTQAD-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN CC1(C)CN[C@H]1c1nc(-c2ccco2)no1 ZINC000666573589 487833313 /nfs/dbraw/zinc/83/33/13/487833313.db2.gz WRIPMUNWFGUVCG-QMMMGPOBSA-N 0 1 219.244 2.000 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000666580974 487835228 /nfs/dbraw/zinc/83/52/28/487835228.db2.gz VUDXPYYMTWILLN-LLVKDONJSA-N 0 1 235.327 2.369 20 0 BEADMN O=C([O-])CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000676356676 487841573 /nfs/dbraw/zinc/84/15/73/487841573.db2.gz HFERWOXZLOYJRJ-GFCCVEGCSA-N 0 1 235.283 2.004 20 0 BEADMN Cc1ncccc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000386356533 487842389 /nfs/dbraw/zinc/84/23/89/487842389.db2.gz PTNFRQXLOSIJKL-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CC(C)(CC(F)(F)F)C(=O)NCc1cnc[nH]1 ZINC000668995636 487844018 /nfs/dbraw/zinc/84/40/18/487844018.db2.gz OWONALVJRKIMRO-UHFFFAOYSA-N 0 1 249.236 2.005 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)nc1 ZINC000156663332 487844070 /nfs/dbraw/zinc/84/40/70/487844070.db2.gz NYTDVCBFZMQSFD-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@@H](C1CC1)N(Cc1ccon1)C1CC1 ZINC000077250931 487845843 /nfs/dbraw/zinc/84/58/43/487845843.db2.gz JXMSFDKOVARBJG-VIFPVBQESA-N 0 1 206.289 2.438 20 0 BEADMN CC(C)(CO)CCNCc1nc(Cl)cs1 ZINC000877560103 590359314 /nfs/dbraw/zinc/35/93/14/590359314.db2.gz GZFIXHBZIXSAAR-UHFFFAOYSA-N 0 1 248.779 2.295 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCC(=O)[O-])C[C@H]1C ZINC000253077118 487846619 /nfs/dbraw/zinc/84/66/19/487846619.db2.gz RVIJHXPJZRHSCY-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN CCCC[C@@H](CC)NCc1nonc1C ZINC000309241438 632835027 /nfs/dbraw/zinc/83/50/27/632835027.db2.gz YIHQAQUJRIVATC-SNVBAGLBSA-N 0 1 211.309 2.436 20 0 BEADMN C[C@@](N)(C(=O)NC1CC(C)(C)C1)c1ccccc1 ZINC000395295153 487850122 /nfs/dbraw/zinc/85/01/22/487850122.db2.gz MRPVDPYWLVVCPM-HNNXBMFYSA-N 0 1 246.354 2.165 20 0 BEADMN Cc1cc(CNC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000681731883 487849544 /nfs/dbraw/zinc/84/95/44/487849544.db2.gz RRCBKCUVCLEPGN-NSHDSACASA-N 0 1 233.315 2.081 20 0 BEADMN CC1(C)CN(Cc2cncc(F)c2)CCCO1 ZINC000681751061 487853455 /nfs/dbraw/zinc/85/34/55/487853455.db2.gz ZLKGPUYLASPHLS-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN COc1cccc(CN2CCCC2)c1F ZINC000192663456 487857938 /nfs/dbraw/zinc/85/79/38/487857938.db2.gz KKRWUSCAWZBNGM-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN COC[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000674470930 487863096 /nfs/dbraw/zinc/86/30/96/487863096.db2.gz YKAFDNBGNAXHHP-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1COCCC[N@H+]1CCc1ccccc1F ZINC000681111366 487867436 /nfs/dbraw/zinc/86/74/36/487867436.db2.gz SVESWTPFKULZDM-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304159884 487873188 /nfs/dbraw/zinc/87/31/88/487873188.db2.gz BGZVOTHAMZZAIB-MWLCHTKSSA-N 0 1 247.285 2.361 20 0 BEADMN COCC1(C2CCC2)CN(Cc2ccncc2)C1 ZINC000668512749 487873383 /nfs/dbraw/zinc/87/33/83/487873383.db2.gz PPDLPAXLNKTSRT-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN COC[C@@H](NCc1ccn(C(C)C)n1)C(C)C ZINC000086699308 322962686 /nfs/dbraw/zinc/96/26/86/322962686.db2.gz UJEUQUVVVYKJTA-CYBMUJFWSA-N 0 1 239.363 2.225 20 0 BEADMN CCCn1nccc1CN1CC[C@@H]1C1CC1 ZINC000668209090 487876703 /nfs/dbraw/zinc/87/67/03/487876703.db2.gz SZIXYXXYYXHMRS-CYBMUJFWSA-N 0 1 219.332 2.277 20 0 BEADMN COC(=O)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595702751 487876292 /nfs/dbraw/zinc/87/62/92/487876292.db2.gz JUOCXWMHUKKESU-GFCCVEGCSA-N 0 1 237.274 2.136 20 0 BEADMN CC(C)N1CCN(C[C@H](C)C(C)(C)C)CC1=O ZINC000670268824 487879407 /nfs/dbraw/zinc/87/94/07/487879407.db2.gz YVOLSDGGHHMTAR-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1cc(NCC2(C(=O)[O-])CCC2)nc(C)[nH+]1 ZINC000138551000 487879780 /nfs/dbraw/zinc/87/97/80/487879780.db2.gz VQXHZXMBTQJXDA-UHFFFAOYSA-N 0 1 249.314 2.014 20 0 BEADMN CCn1ccnc1[C@@H](C)NCCOC(C)(C)C ZINC000560339598 322985766 /nfs/dbraw/zinc/98/57/66/322985766.db2.gz MDCPRVRNVGGRGF-LLVKDONJSA-N 0 1 239.363 2.369 20 0 BEADMN CN(CC(=O)NC1CC1)C(C)(C)c1ccccc1 ZINC000671246620 487891607 /nfs/dbraw/zinc/89/16/07/487891607.db2.gz WJKHHSSFIHGCLL-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN OC[C@@]1(F)CCN(Cc2ccccc2C2CC2)C1 ZINC000670273518 487896639 /nfs/dbraw/zinc/89/66/39/487896639.db2.gz DEPFYEQZSGWKNP-OAHLLOKOSA-N 0 1 249.329 2.470 20 0 BEADMN Cc1nc(CN2CCCCC[C@@H]2CO)oc1C ZINC000157108975 487903503 /nfs/dbraw/zinc/90/35/03/487903503.db2.gz FONVXBDUTWCMLC-GFCCVEGCSA-N 0 1 238.331 2.028 20 0 BEADMN Nc1ccnc(CN(C2CC2)C2CCCCC2)n1 ZINC000676715116 487904167 /nfs/dbraw/zinc/90/41/67/487904167.db2.gz SFYDXSPRCXPUNS-UHFFFAOYSA-N 0 1 246.358 2.356 20 0 BEADMN CCc1ccc(C[N@H+](C)[C@H](CC)C(=O)[O-])o1 ZINC000083414682 487908512 /nfs/dbraw/zinc/90/85/12/487908512.db2.gz HVJZNFRMCQBXPG-LLVKDONJSA-N 0 1 225.288 2.137 20 0 BEADMN C[C@H]1C[C@H](NC(=O)C2(N(C)C)CC2)C[C@@H](C)C1 ZINC000669050973 487911464 /nfs/dbraw/zinc/91/14/64/487911464.db2.gz VIBMOQWRGZXEAF-GDNZZTSVSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000049818489 487922007 /nfs/dbraw/zinc/92/20/07/487922007.db2.gz QEKOQHIOFUBKJM-LLVKDONJSA-N 0 1 221.300 2.024 20 0 BEADMN CC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000682220726 487928308 /nfs/dbraw/zinc/92/83/08/487928308.db2.gz FZAUYFRHWYWNRZ-ZZKXABKFSA-N 0 1 228.299 2.060 20 0 BEADMN CC1CCC(CNC(=O)C2(N(C)C)CC2)CC1 ZINC000667078992 487937744 /nfs/dbraw/zinc/93/77/44/487937744.db2.gz KQLHXNLVEOUHMI-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000396537197 487939178 /nfs/dbraw/zinc/93/91/78/487939178.db2.gz LZCBYLKHFNAOEC-QWRGUYRKSA-N 0 1 235.331 2.003 20 0 BEADMN CC(C)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000652388683 487942149 /nfs/dbraw/zinc/94/21/49/487942149.db2.gz SIIWIBZXUIGPDE-GFCCVEGCSA-N 0 1 236.315 2.185 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235325897 487942979 /nfs/dbraw/zinc/94/29/79/487942979.db2.gz ZMOVRMRBUMDRQJ-SECBINFHSA-N 0 1 237.274 2.366 20 0 BEADMN CC(C)[N@@H+](Cc1occc1C(=O)[O-])C1CC1 ZINC000652403592 487944902 /nfs/dbraw/zinc/94/49/02/487944902.db2.gz YMTITNQWXZEIBM-UHFFFAOYSA-N 0 1 223.272 2.351 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H](C)C1 ZINC000083854713 487947934 /nfs/dbraw/zinc/94/79/34/487947934.db2.gz SHYTUWUREXGNHZ-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)CC[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854782 487948060 /nfs/dbraw/zinc/94/80/60/487948060.db2.gz QGHPKZOXFPAHFE-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN Oc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000682406417 487950549 /nfs/dbraw/zinc/95/05/49/487950549.db2.gz LLIQXZZIPBEOLH-ZDUSSCGKSA-N 0 1 243.310 2.283 20 0 BEADMN Cc1oncc1CN1CCC(OC(C)C)CC1 ZINC000559919505 322981119 /nfs/dbraw/zinc/98/11/19/322981119.db2.gz MZKSCRNQIYVNAL-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1cnccc1CN[C@@H](CO)c1ccsc1 ZINC000560118948 322983130 /nfs/dbraw/zinc/98/31/30/322983130.db2.gz MHSATHJADFBIBT-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cccc(N2CCC[C@H](CC(=O)[O-])C2)[nH+]1 ZINC000561087938 322995287 /nfs/dbraw/zinc/99/52/87/322995287.db2.gz ZHYDUGUJIIVJMT-LLVKDONJSA-N 0 1 234.299 2.081 20 0 BEADMN OCc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)o1 ZINC000400262015 323015746 /nfs/dbraw/zinc/01/57/46/323015746.db2.gz ZGBWGPLPXCCIQH-NSHDSACASA-N 0 1 221.300 2.004 20 0 BEADMN CC(C)C[C@H]1CC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000565101256 323018729 /nfs/dbraw/zinc/01/87/29/323018729.db2.gz CXGCMVSPXSNUQM-LLVKDONJSA-N 0 1 225.332 2.219 20 0 BEADMN CCn1cccc(CN[C@H](C)c2ccoc2)c1=O ZINC000562425288 323019525 /nfs/dbraw/zinc/01/95/25/323019525.db2.gz FUJCUAZCZMRZDF-LLVKDONJSA-N 0 1 246.310 2.312 20 0 BEADMN C[C@@H](N[C@H]1CCCC1(C)C)c1nccc(N)n1 ZINC000562442140 323020109 /nfs/dbraw/zinc/02/01/09/323020109.db2.gz KHEKJQKLUFYQRS-ZJUUUORDSA-N 0 1 234.347 2.118 20 0 BEADMN CCCC[N@@H+](CC)[C@H](C(=O)[O-])c1cccnc1 ZINC000565105530 323020950 /nfs/dbraw/zinc/02/09/50/323020950.db2.gz SFDRTWABZPSNCP-LBPRGKRZSA-N 0 1 236.315 2.329 20 0 BEADMN C[N@H+](Cc1nc(C(=O)[O-])cs1)[C@H]1CC1(C)C ZINC000565106757 323021677 /nfs/dbraw/zinc/02/16/77/323021677.db2.gz LXQWYKZMGBRYSH-QMMMGPOBSA-N 0 1 240.328 2.072 20 0 BEADMN C[N@@H+](Cc1nc(C(=O)[O-])cs1)[C@H]1CC1(C)C ZINC000565106757 323021678 /nfs/dbraw/zinc/02/16/78/323021678.db2.gz LXQWYKZMGBRYSH-QMMMGPOBSA-N 0 1 240.328 2.072 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)CN(CC)C1CC1 ZINC000151710875 323024484 /nfs/dbraw/zinc/02/44/84/323024484.db2.gz JQKITRRKMYBEIU-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)CN(CC)C1CC1 ZINC000151710957 323024495 /nfs/dbraw/zinc/02/44/95/323024495.db2.gz JQKITRRKMYBEIU-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)CN(CC)C1CC1 ZINC000151710794 323024668 /nfs/dbraw/zinc/02/46/68/323024668.db2.gz JQKITRRKMYBEIU-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H](NCc1ccccc1CO)c1cncs1 ZINC000151786294 323027434 /nfs/dbraw/zinc/02/74/34/323027434.db2.gz PUVOYVURYPCRID-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN CCOC1(C)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC000562686711 323027649 /nfs/dbraw/zinc/02/76/49/323027649.db2.gz NIYLPGYFYYMRRQ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CC(C)[C@H]1N(Cc2ccn(C)n2)CC12CCC2 ZINC000569653059 323035674 /nfs/dbraw/zinc/03/56/74/323035674.db2.gz FNQBSPBCRHTJNK-CYBMUJFWSA-N 0 1 233.359 2.431 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000562962526 323036496 /nfs/dbraw/zinc/03/64/96/323036496.db2.gz UNOCZVPKVGMABD-TZMCWYRMSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](C)CC1 ZINC000569707244 323037868 /nfs/dbraw/zinc/03/78/68/323037868.db2.gz WRPMAAMQMRJQBJ-NWDGAFQWSA-N 0 1 249.358 2.237 20 0 BEADMN CCCN(Cc1snnc1C)C1CC1 ZINC000569726343 323039058 /nfs/dbraw/zinc/03/90/58/323039058.db2.gz KUNXDYXQZXVIIZ-UHFFFAOYSA-N 0 1 211.334 2.221 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000569775184 323040289 /nfs/dbraw/zinc/04/02/89/323040289.db2.gz ZUFVCJABJZMWDD-WDEREUQCSA-N 0 1 247.342 2.370 20 0 BEADMN CCSCC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000569934229 323044805 /nfs/dbraw/zinc/04/48/05/323044805.db2.gz FTEMVNOKVZDWGM-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN C[C@H]1C[C@H](CN2Cc3cccnc3C2)CCO1 ZINC000572633829 323045604 /nfs/dbraw/zinc/04/56/04/323045604.db2.gz MATZHHUGJPOYBY-NWDGAFQWSA-N 0 1 232.327 2.212 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccc(C)cc1OC ZINC000570157157 323051208 /nfs/dbraw/zinc/05/12/08/323051208.db2.gz VKRRABCIYAIZRJ-JSGCOSHPSA-N 0 1 235.327 2.271 20 0 BEADMN O[C@H]1CCCC[C@H]1CN1CCC=C(F)C1 ZINC000570170434 323051738 /nfs/dbraw/zinc/05/17/38/323051738.db2.gz KPXCJYGYSRUVCG-JQWIXIFHSA-N 0 1 213.296 2.097 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000160069606 323059445 /nfs/dbraw/zinc/05/94/45/323059445.db2.gz VVVAOZTVFZGWOW-YPMHNXCESA-N 0 1 233.311 2.372 20 0 BEADMN CCN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC000570526483 323062191 /nfs/dbraw/zinc/06/21/91/323062191.db2.gz JICRJBJJQNUSLV-LLVKDONJSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncnc2C)ccn1 ZINC000570649996 323066215 /nfs/dbraw/zinc/06/62/15/323066215.db2.gz NSMDKXKZHBPWJL-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN OC[C@@]1(c2ccccc2)CCN(CC2(F)CC2)C1 ZINC000570769073 323069733 /nfs/dbraw/zinc/06/97/33/323069733.db2.gz DFAUPVJZMUCVRW-CQSZACIVSA-N 0 1 249.329 2.125 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000570933015 323074756 /nfs/dbraw/zinc/07/47/56/323074756.db2.gz AGSQVKSMUKSPTP-SNVBAGLBSA-N 0 1 247.285 2.218 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000562987976 323078215 /nfs/dbraw/zinc/07/82/15/323078215.db2.gz WDBPLEBZJAKIGP-WDEREUQCSA-N 0 1 246.310 2.201 20 0 BEADMN Cc1cnccc1CN1CC(CC(F)F)C1 ZINC000563022012 323080160 /nfs/dbraw/zinc/08/01/60/323080160.db2.gz SKKPZGLXNKXGNI-UHFFFAOYSA-N 0 1 226.270 2.477 20 0 BEADMN F[C@@H]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000563053617 323083024 /nfs/dbraw/zinc/08/30/24/323083024.db2.gz LEALLGGACSDSFX-HTQZYQBOSA-N 0 1 235.266 2.046 20 0 BEADMN F[C@@H]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000563053623 323083029 /nfs/dbraw/zinc/08/30/29/323083029.db2.gz LEALLGGACSDSFX-SFYZADRCSA-N 0 1 235.266 2.046 20 0 BEADMN Cc1cc(CNCc2ccnn2C(C)C)ccn1 ZINC000394643058 323088710 /nfs/dbraw/zinc/08/87/10/323088710.db2.gz OQXDZZAFPILXIH-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CCc1cnc(CN2CC[C@@H](C)[C@H]2C)o1 ZINC000531449518 323090045 /nfs/dbraw/zinc/09/00/45/323090045.db2.gz QGYZVZTZKYFOAA-NXEZZACHSA-N 0 1 208.305 2.467 20 0 BEADMN CCc1cnc(CN2CC[C@@H](C)[C@@H]2C)o1 ZINC000531449521 323090053 /nfs/dbraw/zinc/09/00/53/323090053.db2.gz QGYZVZTZKYFOAA-ZJUUUORDSA-N 0 1 208.305 2.467 20 0 BEADMN CSC[C@@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000571006677 323103420 /nfs/dbraw/zinc/10/34/20/323103420.db2.gz ZBCLZQURODZHKJ-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000571006677 323103421 /nfs/dbraw/zinc/10/34/21/323103421.db2.gz ZBCLZQURODZHKJ-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN CCc1cccc(CNCc2cnn(C)c2)c1 ZINC000563252952 323106812 /nfs/dbraw/zinc/10/68/12/323106812.db2.gz YYOMFCSWTORFLG-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CCCC[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000563278117 323107627 /nfs/dbraw/zinc/10/76/27/323107627.db2.gz PEYIYNAKXZTXDV-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CSCC[N@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000563279093 323107901 /nfs/dbraw/zinc/10/79/01/323107901.db2.gz WYXFSMCWWLSWAV-SECBINFHSA-N 0 1 245.369 2.169 20 0 BEADMN CSCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000563279093 323107902 /nfs/dbraw/zinc/10/79/02/323107902.db2.gz WYXFSMCWWLSWAV-SECBINFHSA-N 0 1 245.369 2.169 20 0 BEADMN C[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000563282069 323108010 /nfs/dbraw/zinc/10/80/10/323108010.db2.gz MNJNAOWZIOCIEH-AAEUAGOBSA-N 0 1 248.326 2.329 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccc2nc[nH]c2c1 ZINC000534338953 323118035 /nfs/dbraw/zinc/11/80/35/323118035.db2.gz HLZVDLUTIGMNLS-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN CCCn1c(C)nnc1CN[C@H]1CCC1(C)C ZINC000563364373 323121132 /nfs/dbraw/zinc/12/11/32/323121132.db2.gz HQQYRSVXQDDDQY-NSHDSACASA-N 0 1 236.363 2.275 20 0 BEADMN Cc1n[n-]c(=[NH+]c2cnn(C(C)C)c2)n1C(C)C ZINC000563418329 323123853 /nfs/dbraw/zinc/12/38/53/323123853.db2.gz WFOVYDHHXPFPJW-UHFFFAOYSA-N 0 1 248.334 2.110 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000563449807 323126372 /nfs/dbraw/zinc/12/63/72/323126372.db2.gz BAXFHLPRMYFWHK-NFAWXSAZSA-N 0 1 245.322 2.339 20 0 BEADMN CC[C@H](C)NCc1n[nH]cc1Br ZINC000307998781 323127836 /nfs/dbraw/zinc/12/78/36/323127836.db2.gz XYYDQLIRFPXPHN-LURJTMIESA-N 0 1 232.125 2.060 20 0 BEADMN CC[C@@H](C(=O)OC)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246982848 323131352 /nfs/dbraw/zinc/13/13/52/323131352.db2.gz VYNGZRNMXVUTKW-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCCC[C@@H](SC)C1 ZINC000246982848 323131353 /nfs/dbraw/zinc/13/13/53/323131353.db2.gz VYNGZRNMXVUTKW-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccsc1 ZINC000563636514 323133157 /nfs/dbraw/zinc/13/31/57/323133157.db2.gz MCUYEVMUOLTMFN-QMMMGPOBSA-N 0 1 235.312 2.289 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cc(C(C)=O)no1 ZINC000571341030 323142021 /nfs/dbraw/zinc/14/20/21/323142021.db2.gz WUJXCJARHQFIPE-ZANVPECISA-N 0 1 236.315 2.498 20 0 BEADMN C[C@@H](N(C)c1ncnc2[nH]cnc21)C(C)(C)C ZINC000049236381 323159270 /nfs/dbraw/zinc/15/92/70/323159270.db2.gz YDFXUORCYKLTHM-MRVPVSSYSA-N 0 1 233.319 2.224 20 0 BEADMN CN(CCn1cccn1)Cc1ccsc1 ZINC000064138692 323160266 /nfs/dbraw/zinc/16/02/66/323160266.db2.gz ITGXYYIGZGUXRM-UHFFFAOYSA-N 0 1 221.329 2.077 20 0 BEADMN CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000049428964 323160705 /nfs/dbraw/zinc/16/07/05/323160705.db2.gz SSOJFVVFFBJTMF-LBPRGKRZSA-N 0 1 245.282 2.373 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2nncn2C)[C@H]2CCCC[C@@H]12 ZINC000534809727 323160967 /nfs/dbraw/zinc/16/09/67/323160967.db2.gz FPLGZPWOXPVLRV-AGIUHOORSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2nncn2C)[C@H]2CCCC[C@@H]12 ZINC000534809727 323160968 /nfs/dbraw/zinc/16/09/68/323160968.db2.gz FPLGZPWOXPVLRV-AGIUHOORSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc2nc[nH]c2c1 ZINC000535070675 323165197 /nfs/dbraw/zinc/16/51/97/323165197.db2.gz JBODNEHYKHNTKQ-MNOVXSKESA-N 0 1 245.326 2.172 20 0 BEADMN C[C@H]1C(=O)NCCN1C[C@H]1CCCC(C)(C)C1 ZINC000535083703 323165793 /nfs/dbraw/zinc/16/57/93/323165793.db2.gz WTHTVBRRDSWNPQ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000535080603 323165866 /nfs/dbraw/zinc/16/58/66/323165866.db2.gz BBWHJZYKWIAGOB-SECBINFHSA-N 0 1 240.372 2.487 20 0 BEADMN C[C@H](NCc1ccccc1CO)c1ccncc1 ZINC000305143335 323167455 /nfs/dbraw/zinc/16/74/55/323167455.db2.gz XGBMORWSYCMGDR-LBPRGKRZSA-N 0 1 242.322 2.425 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2ccc(C)cc2)[nH]1 ZINC000112702454 323171635 /nfs/dbraw/zinc/17/16/35/323171635.db2.gz WLQCVIOFQRFVDH-BQYQJAHWSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2ccc(C)cc2)n1 ZINC000112702454 323171636 /nfs/dbraw/zinc/17/16/36/323171636.db2.gz WLQCVIOFQRFVDH-BQYQJAHWSA-N 0 1 242.282 2.073 20 0 BEADMN CC(C)SCC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000308779244 323177878 /nfs/dbraw/zinc/17/78/78/323177878.db2.gz BYDWHMQJXTYLCA-JTQLQIEISA-N 0 1 231.361 2.067 20 0 BEADMN COC[C@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000525874362 323182296 /nfs/dbraw/zinc/18/22/96/323182296.db2.gz AHFZYHKIJKJUHA-HIFRSBDPSA-N 0 1 249.354 2.342 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)C2CC(F)(F)C2)n1 ZINC000529558104 323184027 /nfs/dbraw/zinc/18/40/27/323184027.db2.gz SZVSJTDBDCQOTM-BQBZGAKWSA-N 0 1 245.273 2.462 20 0 BEADMN COC1(C[C@@H](C)NCc2cc(C)on2)CCC1 ZINC000518877966 323186831 /nfs/dbraw/zinc/18/68/31/323186831.db2.gz ITWZITUVPKICFC-SNVBAGLBSA-N 0 1 238.331 2.420 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000054299823 323204068 /nfs/dbraw/zinc/20/40/68/323204068.db2.gz IARBCAOJHHNWOZ-CQSZACIVSA-N 0 1 247.338 2.416 20 0 BEADMN COCC1(CN2CC(C(F)(F)F)C2)CCC1 ZINC000563935928 323327756 /nfs/dbraw/zinc/32/77/56/323327756.db2.gz QKXMNYMVSSIAPF-UHFFFAOYSA-N 0 1 237.265 2.297 20 0 BEADMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000563948421 323331030 /nfs/dbraw/zinc/33/10/30/323331030.db2.gz PPRZSBWLVNLCNE-UTUOFQBUSA-N 0 1 237.322 2.278 20 0 BEADMN Cc1nc(CNC2(C3CC3)CC2)oc1C ZINC000309235291 323333565 /nfs/dbraw/zinc/33/35/65/323333565.db2.gz XKFXHMQCNPGLER-UHFFFAOYSA-N 0 1 206.289 2.324 20 0 BEADMN Cc1ccc(CNC(=O)CN2[C@H](C)C[C@H]2C)cc1 ZINC000547770497 323344903 /nfs/dbraw/zinc/34/49/03/323344903.db2.gz IKXVZWMBEHXHPX-CHWSQXEVSA-N 0 1 246.354 2.094 20 0 BEADMN CCCN1C(=O)N=NC1SCCC1CC1 ZINC000358861531 323353048 /nfs/dbraw/zinc/35/30/48/323353048.db2.gz SBWBUXVWEMNLQO-UHFFFAOYSA-N 0 1 227.333 2.286 20 0 BEADMN CCC[C@]1(NCc2nc(C)c(C)[nH]2)CCOC1 ZINC000572304508 323591981 /nfs/dbraw/zinc/59/19/81/323591981.db2.gz RYDDBYAKDCBKIE-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000528005372 323734642 /nfs/dbraw/zinc/73/46/42/323734642.db2.gz IJWPUTBAUVPSQW-OQEOFVATSA-N 0 1 238.331 2.446 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccoc1 ZINC000527975529 323738482 /nfs/dbraw/zinc/73/84/82/323738482.db2.gz ZVAKFKDCWYYCIA-JLLWLGSASA-N 0 1 209.289 2.498 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncccc1F)[C@@H]1CCCO1 ZINC000528035074 323742207 /nfs/dbraw/zinc/74/22/07/323742207.db2.gz DPDMMPQCZQLIMC-SCVCMEIPSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCn2cccn2)cc1 ZINC000064031012 324068341 /nfs/dbraw/zinc/06/83/41/324068341.db2.gz ZCAZGPOCBILIDW-UHFFFAOYSA-N 0 1 229.327 2.324 20 0 BEADMN Cc1ccccc1CN(C)[C@H]1CCCN(C)C1=O ZINC000537600901 324082922 /nfs/dbraw/zinc/08/29/22/324082922.db2.gz KRYJNQPROQOTMB-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1cccc(CN(C)[C@H]2CCCN(C)C2=O)c1 ZINC000537600884 324083527 /nfs/dbraw/zinc/08/35/27/324083527.db2.gz QUKDRPVQVXKTSX-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN CCCCCNC(=O)c1ccc(F)cc1O ZINC000123174544 324092900 /nfs/dbraw/zinc/09/29/00/324092900.db2.gz CLPOVKMUWJZNEU-UHFFFAOYSA-N 0 1 225.263 2.451 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)C[C@@H]1C ZINC000572490205 324129778 /nfs/dbraw/zinc/12/97/78/324129778.db2.gz WVZRVDXPKGKSKK-UWVGGRQHSA-N 0 1 213.321 2.360 20 0 BEADMN CCC1(O)CCN(C/C=C(\C)Cl)CC1 ZINC000528388902 324217743 /nfs/dbraw/zinc/21/77/43/324217743.db2.gz JKCJEDHICZMBPE-ONNFQVAWSA-N 0 1 217.740 2.366 20 0 BEADMN CC1(C)C[C@H](C(=O)NOCC2CC2)C(C)(C)O1 ZINC000529422668 324292493 /nfs/dbraw/zinc/29/24/93/324292493.db2.gz CKZJPVQLVKGNPG-SNVBAGLBSA-N 0 1 241.331 2.038 20 0 BEADMN Cc1cc(CC(=O)NOC(C)C)ncc1Cl ZINC000529447087 324301562 /nfs/dbraw/zinc/30/15/62/324301562.db2.gz XXBXVRYENYIAHG-UHFFFAOYSA-N 0 1 242.706 2.042 20 0 BEADMN c1snnc1CNCCCC1CCC1 ZINC000668583330 487965314 /nfs/dbraw/zinc/96/53/14/487965314.db2.gz DQGHWKQERQMXRH-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN C[C@]1(CCNCc2csnn2)CC1(F)F ZINC000668583810 487966048 /nfs/dbraw/zinc/96/60/48/487966048.db2.gz LYTCYUXZOLCLJJ-QMMMGPOBSA-N 0 1 233.287 2.063 20 0 BEADMN CCc1ccccc1NC(=O)CN(C)CC ZINC000070977216 325047991 /nfs/dbraw/zinc/04/79/91/325047991.db2.gz SMRYALJCSRHIAN-UHFFFAOYSA-N 0 1 220.316 2.139 20 0 BEADMN COCc1ccccc1NC(=O)c1cn[nH]c1C ZINC000070983205 325048821 /nfs/dbraw/zinc/04/88/21/325048821.db2.gz HPYANPUYQTVECZ-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CCC[C@H]1CN(CCCOC(C)C)CCO1 ZINC000131407127 325146289 /nfs/dbraw/zinc/14/62/89/325146289.db2.gz JOEHTBAAWHWJTB-ZDUSSCGKSA-N 0 1 229.364 2.302 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000131411653 325147033 /nfs/dbraw/zinc/14/70/33/325147033.db2.gz FHNVYECIQIQQQL-OLZOCXBDSA-N 0 1 227.348 2.056 20 0 BEADMN CN(Cc1cn2ccsc2n1)C1CCC1 ZINC000072722099 325169663 /nfs/dbraw/zinc/16/96/63/325169663.db2.gz HGYQPJWRSMIFFS-UHFFFAOYSA-N 0 1 221.329 2.380 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CCC(C)C ZINC000072953110 325183031 /nfs/dbraw/zinc/18/30/31/325183031.db2.gz FAQACMVIJMZPBH-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H](c1cnccn1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000545230453 325197643 /nfs/dbraw/zinc/19/76/43/325197643.db2.gz CLMKMWZEULOZBN-AXFHLTTASA-N 0 1 237.372 2.363 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000073599930 325206059 /nfs/dbraw/zinc/20/60/59/325206059.db2.gz CWZXBETVTZJICQ-STQMWFEESA-N 0 1 248.370 2.422 20 0 BEADMN CCc1nc(SCC(F)(F)F)n[nH]1 ZINC000074251517 325233725 /nfs/dbraw/zinc/23/37/25/325233725.db2.gz HWHQYJDAWKMPGO-UHFFFAOYSA-N 0 1 211.212 2.022 20 0 BEADMN CCc1n[nH]c(SCC(F)(F)F)n1 ZINC000074251517 325233729 /nfs/dbraw/zinc/23/37/29/325233729.db2.gz HWHQYJDAWKMPGO-UHFFFAOYSA-N 0 1 211.212 2.022 20 0 BEADMN CC[C@@]1(C)C[C@@H]1C(=O)NCCCc1cn[nH]c1C ZINC000132700433 325239348 /nfs/dbraw/zinc/23/93/48/325239348.db2.gz UFWVIVINRJGEQR-OCCSQVGLSA-N 0 1 249.358 2.203 20 0 BEADMN CC(C)(C)[C@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000546577721 325287995 /nfs/dbraw/zinc/28/79/95/325287995.db2.gz PXSKBRCYQXAQQL-JTQLQIEISA-N 0 1 247.342 2.053 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC000133479550 325296580 /nfs/dbraw/zinc/29/65/80/325296580.db2.gz IZHVAPJLAPLECO-ONGXEEELSA-N 0 1 235.331 2.369 20 0 BEADMN CC1(C)CN(Cc2ccc3nc[nH]c3c2)CCO1 ZINC000546706400 325303837 /nfs/dbraw/zinc/30/38/37/325303837.db2.gz JBCQJAVHYDBBEA-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCCCNC(=O)CN1CCC(C(C)C)CC1 ZINC000075833170 325315516 /nfs/dbraw/zinc/31/55/16/325315516.db2.gz NSDYEEPUIUVUKS-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCC[C@]1(C)CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076145539 325333559 /nfs/dbraw/zinc/33/35/59/325333559.db2.gz ZPHRWOQMFIVWDU-TZMCWYRMSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cccc(NC[C@H](CO)Cc2ccco2)n1 ZINC000547465050 325359015 /nfs/dbraw/zinc/35/90/15/325359015.db2.gz SUAIUAAZDQSVKR-GFCCVEGCSA-N 0 1 246.310 2.246 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc(C)cc(F)c1 ZINC000134787073 325376503 /nfs/dbraw/zinc/37/65/03/325376503.db2.gz KMLSWASZFCIHIE-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@H]1CCN(c2ccccc2)C1=O ZINC000547768621 325394366 /nfs/dbraw/zinc/39/43/66/325394366.db2.gz GXZWZVUCQCLQNO-BZPMIXESSA-N 0 1 244.338 2.275 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)N(C)Cc1ccccc1 ZINC000547769358 325394852 /nfs/dbraw/zinc/39/48/52/325394852.db2.gz JHMUERZUCUGJDX-BETUJISGSA-N 0 1 246.354 2.128 20 0 BEADMN C[C@H]1C[C@H](C)N1CCOCC(F)(F)C(F)F ZINC000547770074 325395527 /nfs/dbraw/zinc/39/55/27/325395527.db2.gz DFPRYXLJQPTEKT-YUMQZZPRSA-N 0 1 243.244 2.386 20 0 BEADMN CCC[C@H](C(=O)OCC)N1[C@H](C)C[C@H]1C ZINC000548426254 325456832 /nfs/dbraw/zinc/45/68/32/325456832.db2.gz FUQBSIACIYFZJI-GMTAPVOTSA-N 0 1 213.321 2.201 20 0 BEADMN Cc1nc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000572542812 325710328 /nfs/dbraw/zinc/71/03/28/325710328.db2.gz NVESSPCWQXAUIT-JGPRNRPPSA-N 0 1 208.330 2.340 20 0 BEADMN Cc1cc(OCc2ccn(C)n2)cc(C)n1 ZINC000564780733 325808409 /nfs/dbraw/zinc/80/84/09/325808409.db2.gz XYDPPEOAKSPANT-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN C[C@@H]1C[C@H]1N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000671148052 487970258 /nfs/dbraw/zinc/97/02/58/487970258.db2.gz DLIGQIIAQFZBDZ-LERXQTSPSA-N 0 1 244.338 2.004 20 0 BEADMN CCC1CCN(Cc2snnc2C)CC1 ZINC000565047212 325850929 /nfs/dbraw/zinc/85/09/29/325850929.db2.gz OUBLUZDAAZZZDV-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000153121612 325904669 /nfs/dbraw/zinc/90/46/69/325904669.db2.gz NJDKKMYCYNATEG-QWRGUYRKSA-N 0 1 235.331 2.425 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000566298611 326030169 /nfs/dbraw/zinc/03/01/69/326030169.db2.gz XSUCHGMJFFXKFW-AWEZNQCLSA-N 0 1 248.326 2.327 20 0 BEADMN Cc1nnsc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000566299134 326030303 /nfs/dbraw/zinc/03/03/03/326030303.db2.gz RSOHGTZBLHDURE-BDAKNGLRSA-N 0 1 225.361 2.324 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000566359036 326037062 /nfs/dbraw/zinc/03/70/62/326037062.db2.gz CLNNFGPWUIWWBJ-UBHSHLNASA-N 0 1 247.338 2.443 20 0 BEADMN CSCCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000566360299 326037067 /nfs/dbraw/zinc/03/70/67/326037067.db2.gz NQNSFYRPXBXCNK-SNVBAGLBSA-N 0 1 233.377 2.171 20 0 BEADMN CC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000566368516 326038244 /nfs/dbraw/zinc/03/82/44/326038244.db2.gz WURDNEHHEOWJMJ-AEJSXWLSSA-N 0 1 247.285 2.217 20 0 BEADMN CCCCOCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000566625359 326069042 /nfs/dbraw/zinc/06/90/42/326069042.db2.gz POJHMRPNRVGINY-LBPRGKRZSA-N 0 1 245.363 2.234 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566688219 326074694 /nfs/dbraw/zinc/07/46/94/326074694.db2.gz XQDRMVVEUPEKBY-JTQLQIEISA-N 0 1 237.347 2.139 20 0 BEADMN Clc1ccc([C@@H]2CCN2Cc2c[nH]nn2)cc1 ZINC000566837437 326086789 /nfs/dbraw/zinc/08/67/89/326086789.db2.gz QZYVPGHAAYWHNP-LBPRGKRZSA-N 0 1 248.717 2.405 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC[C@@H](C)C1 ZINC000566920677 326094499 /nfs/dbraw/zinc/09/44/99/326094499.db2.gz QDGDKNZVBMZZRF-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN c1cnc(CN[C@H]2CC[C@H]2C2CCC2)nc1 ZINC000566984641 326100207 /nfs/dbraw/zinc/10/02/07/326100207.db2.gz OMOOLBMHJZKAAM-RYUDHWBXSA-N 0 1 217.316 2.145 20 0 BEADMN Cc1ccc(C[N@H+]2CCS[C@H](C)C2)cn1 ZINC000153845698 326115579 /nfs/dbraw/zinc/11/55/79/326115579.db2.gz UJTZBVDTVYCVMA-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN Cc1ccc(CN2CCS[C@H](C)C2)cn1 ZINC000153845698 326115581 /nfs/dbraw/zinc/11/55/81/326115581.db2.gz UJTZBVDTVYCVMA-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN COCc1ccc(CNCCOC(C)(C)C)o1 ZINC000308689891 326137720 /nfs/dbraw/zinc/13/77/20/326137720.db2.gz HEMJXTPJRCGSKR-UHFFFAOYSA-N 0 1 241.331 2.331 20 0 BEADMN C[C@H](C(=O)N1CCCCC[C@@H]1C)N1CC(C)C1 ZINC000567288606 326154144 /nfs/dbraw/zinc/15/41/44/326154144.db2.gz UGMMMXDTYLYEMK-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](C(=O)N1CCCCC[C@H]1C)N1CC(C)C1 ZINC000567288605 326156484 /nfs/dbraw/zinc/15/64/84/326156484.db2.gz UGMMMXDTYLYEMK-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)N1CCCCC[C@H]1C)N1CC(C)C1 ZINC000567288604 326156508 /nfs/dbraw/zinc/15/65/08/326156508.db2.gz UGMMMXDTYLYEMK-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@]1(C)CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000567359154 326173732 /nfs/dbraw/zinc/17/37/32/326173732.db2.gz LSOXGRPFMABUDV-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CCC1 ZINC000310536608 326194964 /nfs/dbraw/zinc/19/49/64/326194964.db2.gz RIROLPQVWKWPGA-QJPTWQEYSA-N 0 1 237.343 2.362 20 0 BEADMN CCc1nc(NC(=O)C2(C)CCCCC2)n[nH]1 ZINC000156221928 326223092 /nfs/dbraw/zinc/22/30/92/326223092.db2.gz LIAGQNFAWDFSBS-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C2(C)CCCCC2)n1 ZINC000156221928 326223094 /nfs/dbraw/zinc/22/30/94/326223094.db2.gz LIAGQNFAWDFSBS-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCC(CC)N(CC)C(=O)[C@H](C)N1CC(C)C1 ZINC000567626750 326231663 /nfs/dbraw/zinc/23/16/63/326231663.db2.gz WGUBCCVTSSTURL-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567867132 326273295 /nfs/dbraw/zinc/27/32/95/326273295.db2.gz HJNMAFVKAYKADT-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867085 326273313 /nfs/dbraw/zinc/27/33/13/326273313.db2.gz GAHMPUVSTYFYOK-SRVKXCTJSA-N 0 1 227.348 2.465 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567867084 326273333 /nfs/dbraw/zinc/27/33/33/326273333.db2.gz GAHMPUVSTYFYOK-SDDRHHMPSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1cscc1CNCc1cnc(C)n1C ZINC000567916314 326283272 /nfs/dbraw/zinc/28/32/72/326283272.db2.gz QWJUCEBCCIGMBW-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C(=O)[O-])C2CC2)s1 ZINC000568060764 326302157 /nfs/dbraw/zinc/30/21/57/326302157.db2.gz NRLPWUHFVIZZKU-NSHDSACASA-N 0 1 239.340 2.352 20 0 BEADMN C[N@@H+](CC1CCCC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000568060465 326302206 /nfs/dbraw/zinc/30/22/06/326302206.db2.gz DXMDEDCQKCRCTD-CYBMUJFWSA-N 0 1 248.326 2.329 20 0 BEADMN CCN(C)Cc1cc(OC)c(OC)cc1F ZINC000568097854 326307264 /nfs/dbraw/zinc/30/72/64/326307264.db2.gz QLGNNBIEBFBDIY-UHFFFAOYSA-N 0 1 227.279 2.295 20 0 BEADMN Cc1ccccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000568245691 326333734 /nfs/dbraw/zinc/33/37/34/326333734.db2.gz VIMHEWVPPMZENB-UHFFFAOYSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccco1 ZINC000158819330 326343940 /nfs/dbraw/zinc/34/39/40/326343940.db2.gz QVVXLFAJRSNQMK-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000568534803 326364529 /nfs/dbraw/zinc/36/45/29/326364529.db2.gz CSZYTFSBGVJKDP-SECBINFHSA-N 0 1 248.282 2.123 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2ccn(C)n2)o1 ZINC000568604517 326366968 /nfs/dbraw/zinc/36/69/68/326366968.db2.gz SAASXZBAXJVCGR-NSHDSACASA-N 0 1 233.315 2.215 20 0 BEADMN CN(Cc1ccc(O)cc1)CC1(F)CC1 ZINC000568697126 326372554 /nfs/dbraw/zinc/37/25/54/326372554.db2.gz FJICEZMIJJWLMV-UHFFFAOYSA-N 0 1 209.264 2.326 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000568991428 326385345 /nfs/dbraw/zinc/38/53/45/326385345.db2.gz UFOQXDSYGZDGBS-CHWSQXEVSA-N 0 1 248.326 2.124 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN1CCn2nncc2C1 ZINC000569259272 326398457 /nfs/dbraw/zinc/39/84/57/326398457.db2.gz XVERSTOZSAOKTD-GXTWGEPZSA-N 0 1 246.358 2.086 20 0 BEADMN COc1ccc(F)c(CN[C@@H]2CO[C@H](C)C2)c1 ZINC000572720949 326406847 /nfs/dbraw/zinc/40/68/47/326406847.db2.gz HWFFXVJOEDNWEZ-KOLCDFICSA-N 0 1 239.290 2.101 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]1C ZINC000677176847 487972078 /nfs/dbraw/zinc/97/20/78/487972078.db2.gz RGTHJMXPDUXVDI-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CCCNCc1ncnn1C(C)C ZINC000083977761 487977939 /nfs/dbraw/zinc/97/79/39/487977939.db2.gz DNQSXHNLDPNNDF-UHFFFAOYSA-N 0 1 224.352 2.385 20 0 BEADMN C[C@]12COC[C@H]1CN(Cc1ccc(Cl)o1)C2 ZINC000668595535 487981916 /nfs/dbraw/zinc/98/19/16/487981916.db2.gz POHQUOXAQMMYNH-SKDRFNHKSA-N 0 1 241.718 2.401 20 0 BEADMN CCN1CCN(c2cc(C(C)C)ncn2)C[C@H]1C ZINC000677152679 487984652 /nfs/dbraw/zinc/98/46/52/487984652.db2.gz IOXRSFZLEGCYHN-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN CCC(C)(C)N(C)C(=O)NCc1cn[nH]c1C ZINC000672379589 487985184 /nfs/dbraw/zinc/98/51/84/487985184.db2.gz HYUYJJBWWLCOJJ-UHFFFAOYSA-N 0 1 238.335 2.048 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666027478 487986157 /nfs/dbraw/zinc/98/61/57/487986157.db2.gz RZDGHVVWMYBBHK-MNOVXSKESA-N 0 1 249.358 2.018 20 0 BEADMN CCC(CC)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677172699 487987732 /nfs/dbraw/zinc/98/77/32/487987732.db2.gz DUTTXFIGEXGHRB-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1F ZINC000668599321 487988603 /nfs/dbraw/zinc/98/86/03/487988603.db2.gz VDAIOMAQXQSRGU-GXTWGEPZSA-N 0 1 235.302 2.091 20 0 BEADMN CCN1CCN(C(=O)C2=C(C)CCC2)C[C@@H]1C ZINC000677177607 487990836 /nfs/dbraw/zinc/99/08/36/487990836.db2.gz QXDBQEOJMCETHS-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677177411 487991776 /nfs/dbraw/zinc/99/17/76/487991776.db2.gz NCYLFOWVQDFUJX-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1cn(C)nn1 ZINC000668604054 487997066 /nfs/dbraw/zinc/99/70/66/487997066.db2.gz NYUIRVCTZTUXJQ-GXTWGEPZSA-N 0 1 248.374 2.239 20 0 BEADMN CC(C)c1cnc(CN[C@H]2CCC[C@@H]2O)s1 ZINC000134852303 488001120 /nfs/dbraw/zinc/00/11/20/488001120.db2.gz WYAHKMVQFMSCCK-UWVGGRQHSA-N 0 1 240.372 2.270 20 0 BEADMN Cc1cc(CNC[C@H]2Cc3ccccc3O2)on1 ZINC000090874491 488011023 /nfs/dbraw/zinc/01/10/23/488011023.db2.gz BPHDTPGROVUTRX-GFCCVEGCSA-N 0 1 244.294 2.076 20 0 BEADMN O=C([O-])C[N@@H+](CC1=CCCC1)C1CCCC1 ZINC000401144352 488015700 /nfs/dbraw/zinc/01/57/00/488015700.db2.gz ZNAXSGZWECMZQQ-UHFFFAOYSA-N 0 1 223.316 2.426 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503093 488019810 /nfs/dbraw/zinc/01/98/10/488019810.db2.gz SKDVLCCIFVZJDD-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C)O[C@@H](C)C2)cn1 ZINC000668626081 488026461 /nfs/dbraw/zinc/02/64/61/488026461.db2.gz PDCLULOZIJCARU-NEPJUHHUSA-N 0 1 249.358 2.038 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCOc3ccccc3C2)O1 ZINC000682754557 488028742 /nfs/dbraw/zinc/02/87/42/488028742.db2.gz CTABRGODGNVQDS-TZMCWYRMSA-N 0 1 247.338 2.449 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccccc2OC)no1 ZINC000044626010 488030306 /nfs/dbraw/zinc/03/03/06/488030306.db2.gz LSYBZTPDHOGENX-SNVBAGLBSA-N 0 1 247.298 2.416 20 0 BEADMN CC[C@@H](C)N(C)Cc1cn(C2CCC2)nn1 ZINC000667505420 488033544 /nfs/dbraw/zinc/03/35/44/488033544.db2.gz ORUAFGDRJPEDKA-SNVBAGLBSA-N 0 1 222.336 2.233 20 0 BEADMN CC[C@H](C)N(C)Cc1cn(C2CCC2)nn1 ZINC000667505419 488033992 /nfs/dbraw/zinc/03/39/92/488033992.db2.gz ORUAFGDRJPEDKA-JTQLQIEISA-N 0 1 222.336 2.233 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000080687427 488034044 /nfs/dbraw/zinc/03/40/44/488034044.db2.gz WSBLUXVJRJXWAA-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CC[C@H](CN2CC3(C2)CC(F)(F)C3)O1 ZINC000682767547 488034209 /nfs/dbraw/zinc/03/42/09/488034209.db2.gz ADCIVMBSQXCHGR-NXEZZACHSA-N 0 1 231.286 2.285 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000682777628 488037502 /nfs/dbraw/zinc/03/75/02/488037502.db2.gz ODMDGRXJJCNFHI-OUAUKWLOSA-N 0 1 237.347 2.498 20 0 BEADMN Cc1nc2cccc(C(=O)NC3CC=CC3)c2[nH]1 ZINC000670078054 488055631 /nfs/dbraw/zinc/05/56/31/488055631.db2.gz UHWZMLIRFZNNPU-UHFFFAOYSA-N 0 1 241.294 2.320 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000661850584 488063130 /nfs/dbraw/zinc/06/31/30/488063130.db2.gz KKSGEUDZYUNIIL-NEPJUHHUSA-N 0 1 249.358 2.093 20 0 BEADMN CN(Cc1cc(C(F)(F)F)nn1C)C1CCC1 ZINC000667646711 488070237 /nfs/dbraw/zinc/07/02/37/488070237.db2.gz AJPBXWBBKKBABL-UHFFFAOYSA-N 0 1 247.264 2.423 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2cnc(C)n2C)CCS1 ZINC000667650120 488073465 /nfs/dbraw/zinc/07/34/65/488073465.db2.gz MOIIWBRZNIXICN-GFCCVEGCSA-N 0 1 239.388 2.056 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)C2CCC2)C1 ZINC000623197606 488076153 /nfs/dbraw/zinc/07/61/53/488076153.db2.gz WJPKCFGPDPJKAS-CABZTGNLSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)C2CCC2)C1 ZINC000623197605 488076227 /nfs/dbraw/zinc/07/62/27/488076227.db2.gz WJPKCFGPDPJKAS-BXKDBHETSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cn(C2CCC2)nn1 ZINC000667664817 488081284 /nfs/dbraw/zinc/08/12/84/488081284.db2.gz TXFSSKUWBDIILM-WDEREUQCSA-N 0 1 234.347 2.233 20 0 BEADMN COc1cccc(CN(CCO)C(C)C)c1F ZINC000166456715 488084545 /nfs/dbraw/zinc/08/45/45/488084545.db2.gz WSLGFPXSTOBBQJ-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN CC1CCN(c2nc(N)nc3c2CCCC3)CC1 ZINC000257739556 488085865 /nfs/dbraw/zinc/08/58/65/488085865.db2.gz SFWHAXDWLOHOMP-UHFFFAOYSA-N 0 1 246.358 2.174 20 0 BEADMN Cc1ccnc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000683004939 488086687 /nfs/dbraw/zinc/08/66/87/488086687.db2.gz SKRBZKWIPFGLKZ-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cn(C2CCC2)nn1 ZINC000667693251 488089515 /nfs/dbraw/zinc/08/95/15/488089515.db2.gz FZMNPPFXOXIWKY-WDEREUQCSA-N 0 1 234.347 2.233 20 0 BEADMN CC1(CNc2ccc3c[nH]nc3c2)COC1 ZINC000227523886 488090708 /nfs/dbraw/zinc/09/07/08/488090708.db2.gz HYWCTHSWXASSPP-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN Cc1ccc(CNCc2ccc(CO)cc2)nc1 ZINC000227461036 488090852 /nfs/dbraw/zinc/09/08/52/488090852.db2.gz PMXLGXPPVLVBEJ-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN CCOC[C@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683012313 488091550 /nfs/dbraw/zinc/09/15/50/488091550.db2.gz SRAMGZNXTKDWJP-ZDUSSCGKSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1ccnc(C[N@@H+](C)CCOCC2CC2)c1 ZINC000683012780 488091868 /nfs/dbraw/zinc/09/18/68/488091868.db2.gz ZUKNFISZRKZYIN-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1ccnc(CN(C)CCOCC2CC2)c1 ZINC000683012780 488091871 /nfs/dbraw/zinc/09/18/71/488091871.db2.gz ZUKNFISZRKZYIN-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CC[C@]1(NCc2nccn2C(C)C)CCOC1 ZINC000683045177 488104058 /nfs/dbraw/zinc/10/40/58/488104058.db2.gz RRCOJGATQIXMLH-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN Cc1noc(C)c1CN1CC[C@H](C(F)F)C1 ZINC000677731299 488110114 /nfs/dbraw/zinc/11/01/14/488110114.db2.gz GJMFQQJUANAVCR-VIFPVBQESA-N 0 1 230.258 2.378 20 0 BEADMN COc1cccc(CN2CC[C@H](C(F)F)C2)n1 ZINC000677735876 488113699 /nfs/dbraw/zinc/11/36/99/488113699.db2.gz VKBAUELODMSMJQ-VIFPVBQESA-N 0 1 242.269 2.177 20 0 BEADMN CCCn1nccc1CNCc1ccc(O)cc1 ZINC000160214921 488116058 /nfs/dbraw/zinc/11/60/58/488116058.db2.gz QEWDLTLYWZHIEV-UHFFFAOYSA-N 0 1 245.326 2.289 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000677767456 488121434 /nfs/dbraw/zinc/12/14/34/488121434.db2.gz LFZSFMRZRCJBHN-SNVBAGLBSA-N 0 1 237.347 2.407 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)C12CCC2 ZINC000308349438 488125346 /nfs/dbraw/zinc/12/53/46/488125346.db2.gz BWEJVORHBPLHJH-HBNTYKKESA-N 0 1 235.331 2.018 20 0 BEADMN COCc1cc(CN[C@]2(C)CC2(C)C)no1 ZINC000668699717 488132152 /nfs/dbraw/zinc/13/21/52/488132152.db2.gz AMLJLGJOZZFPAP-GFCCVEGCSA-N 0 1 224.304 2.099 20 0 BEADMN COCc1cc(CN[C@@]2(C)CC2(C)C)no1 ZINC000668699718 488132293 /nfs/dbraw/zinc/13/22/93/488132293.db2.gz AMLJLGJOZZFPAP-LBPRGKRZSA-N 0 1 224.304 2.099 20 0 BEADMN Cc1cnc(CN[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000639287559 488133233 /nfs/dbraw/zinc/13/32/33/488133233.db2.gz MHCCTVRWVJBMGQ-GARJFASQSA-N 0 1 206.289 2.261 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnn(CC(F)(F)F)c1 ZINC000525996550 487537778 /nfs/dbraw/zinc/53/77/78/487537778.db2.gz CTFHSTXCKAZLDT-DTORHVGOSA-N 0 1 247.264 2.428 20 0 BEADMN CSc1ccncc1NC(=O)c1cn[nH]c1C ZINC000674256815 487539385 /nfs/dbraw/zinc/53/93/85/487539385.db2.gz QELNQHSMOXIGHG-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN COC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000296250888 487540299 /nfs/dbraw/zinc/54/02/99/487540299.db2.gz BHIVTQNQOHWTHN-SNVBAGLBSA-N 0 1 223.320 2.020 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C)C ZINC000674266303 487541817 /nfs/dbraw/zinc/54/18/17/487541817.db2.gz OOMXBUGVTXCTKB-JTQLQIEISA-N 0 1 228.380 2.268 20 0 BEADMN C[C@@H](C(=O)N(C)[C@@H](C)c1ccccc1)N(C)C ZINC000674265385 487542270 /nfs/dbraw/zinc/54/22/70/487542270.db2.gz GYJDDVTYTSDZIM-RYUDHWBXSA-N 0 1 234.343 2.156 20 0 BEADMN CCN(C(=O)c1ccc(CN)o1)C1CCCC1 ZINC000094565260 487542748 /nfs/dbraw/zinc/54/27/48/487542748.db2.gz BCWCYIBYOKEBOO-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000674264939 487542781 /nfs/dbraw/zinc/54/27/81/487542781.db2.gz DCSSKLMARZYPMY-GXTWGEPZSA-N 0 1 248.370 2.450 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674266335 487543030 /nfs/dbraw/zinc/54/30/30/487543030.db2.gz PSKCGMCDEPLBCK-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)CCCCC(=O)NCCN1CCC1 ZINC000680190659 487543907 /nfs/dbraw/zinc/54/39/07/487543907.db2.gz DSTZAXBTIVOKJH-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC=CCC1 ZINC000382521600 487545410 /nfs/dbraw/zinc/54/54/10/487545410.db2.gz AVGJYDHBWMPZNV-VIFPVBQESA-N 0 1 221.256 2.301 20 0 BEADMN C[C@H](N(C)C(=O)c1ccc(CN)o1)C(C)(C)C ZINC000094568124 487545429 /nfs/dbraw/zinc/54/54/29/487545429.db2.gz FNRYRFRDRXSVQQ-VIFPVBQESA-N 0 1 238.331 2.245 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC=CCC1 ZINC000382533375 487545735 /nfs/dbraw/zinc/54/57/35/487545735.db2.gz MJWRXVWBNTWRMP-UHFFFAOYSA-N 0 1 221.256 2.048 20 0 BEADMN CCCCN(CCCC)C(=O)[C@H](C)N(C)C ZINC000674286859 487547053 /nfs/dbraw/zinc/54/70/53/487547053.db2.gz ZTVCMNNMZPFSBS-LBPRGKRZSA-N 0 1 228.380 2.365 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000674288856 487549456 /nfs/dbraw/zinc/54/94/56/487549456.db2.gz NWIUCSDUNGITBH-DRZSPHRISA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)CC(=O)Nc1cc(N(C)C)ccn1 ZINC000680258037 487554133 /nfs/dbraw/zinc/55/41/33/487554133.db2.gz JLVCPIHDAOTZFC-UHFFFAOYSA-N 0 1 221.304 2.132 20 0 BEADMN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000674244163 487532104 /nfs/dbraw/zinc/53/21/04/487532104.db2.gz GGHJCKORAJQYQZ-STQMWFEESA-N 0 1 248.370 2.074 20 0 BEADMN C[C@H](O)[C@@H](NCC1(F)CC1)c1ccccc1 ZINC000668787502 487532662 /nfs/dbraw/zinc/53/26/62/487532662.db2.gz AZPZMGZTWZNVAD-CMPLNLGQSA-N 0 1 223.291 2.200 20 0 BEADMN Cc1ccc(NC(=O)[C@H](C)N(C)C)c(C)c1 ZINC000674243260 487532577 /nfs/dbraw/zinc/53/25/77/487532577.db2.gz BEVHKJWLCVDKKU-NSHDSACASA-N 0 1 220.316 2.192 20 0 BEADMN CC(C)(C)[C@H]1CCN(c2ncnc3[nH]cnc32)C1 ZINC000680073334 487533389 /nfs/dbraw/zinc/53/33/89/487533389.db2.gz ZEJSLOMSQICRPD-VIFPVBQESA-N 0 1 245.330 2.225 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167797831 487471841 /nfs/dbraw/zinc/47/18/41/487471841.db2.gz JYFMQIGASNQXOX-NWDGAFQWSA-N 0 1 223.316 2.424 20 0 BEADMN CCCCNC(=O)CN[C@H](C)c1ccsc1 ZINC000061362593 487472196 /nfs/dbraw/zinc/47/21/96/487472196.db2.gz UDLXNCWYAKLCBB-SNVBAGLBSA-N 0 1 240.372 2.315 20 0 BEADMN CCN(CC)C(=O)CN[C@@H](C)c1ccsc1 ZINC000061363517 487473243 /nfs/dbraw/zinc/47/32/43/487473243.db2.gz DLJXJGPSVFLFMZ-JTQLQIEISA-N 0 1 240.372 2.267 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000668223758 487479121 /nfs/dbraw/zinc/47/91/21/487479121.db2.gz RTIDNFKKSPAACS-DRZSPHRISA-N 0 1 249.358 2.121 20 0 BEADMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000050341178 487494630 /nfs/dbraw/zinc/49/46/30/487494630.db2.gz WQCXADFIONSGHU-UWVGGRQHSA-N 0 1 240.372 2.313 20 0 BEADMN Cc1cc(CNCCc2cccc(C)n2)no1 ZINC000399711981 487496178 /nfs/dbraw/zinc/49/61/78/487496178.db2.gz AJPLRPDANUEHFJ-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN CC(C)OCCNCc1ccc(F)cc1F ZINC000051017206 487496347 /nfs/dbraw/zinc/49/63/47/487496347.db2.gz BPZMRMVRNGLPJP-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN CCC1(CC)CN(Cc2cnc(C)n2C)C1 ZINC000668231172 487496411 /nfs/dbraw/zinc/49/64/11/487496411.db2.gz PDTVIAJQKMYRMO-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)co1 ZINC000161619857 487506213 /nfs/dbraw/zinc/50/62/13/487506213.db2.gz VNVHRXJBWLOXMV-VIFPVBQESA-N 0 1 219.244 2.063 20 0 BEADMN COCc1cc(CNC2CC(C)(C)C2)no1 ZINC000668764305 487503359 /nfs/dbraw/zinc/50/33/59/487503359.db2.gz OUMYPFNNPPZKSI-UHFFFAOYSA-N 0 1 224.304 2.099 20 0 BEADMN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccn(C)n1 ZINC000666120145 487504528 /nfs/dbraw/zinc/50/45/28/487504528.db2.gz JDVVJLAKHMDSAF-IUCAKERBSA-N 0 1 229.274 2.259 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)C1CCCC1 ZINC000674086750 487511403 /nfs/dbraw/zinc/51/14/03/487511403.db2.gz XUSAOQDIOTZSIX-SECBINFHSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CN(C)Cc2cn[nH]c2)cc(C)c1O ZINC000685418055 487518360 /nfs/dbraw/zinc/51/83/60/487518360.db2.gz DTDFFADHUQQECO-UHFFFAOYSA-N 0 1 245.326 2.364 20 0 BEADMN Cc1cc(CNC(=O)CC2(C)CCCC2)n[nH]1 ZINC000685435366 487522497 /nfs/dbraw/zinc/52/24/97/487522497.db2.gz OBDFTGNNDSNHGO-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN c1csc(CNC[C@@H]2COc3ccccc32)n1 ZINC000674166676 487526637 /nfs/dbraw/zinc/52/66/37/487526637.db2.gz ZMISNKUXHHVDOP-SNVBAGLBSA-N 0 1 246.335 2.409 20 0 BEADMN CO[C@H](CNCc1nccs1)CC(C)C ZINC000669572449 487527201 /nfs/dbraw/zinc/52/72/01/487527201.db2.gz WOEJGCDNAMCSJQ-JTQLQIEISA-N 0 1 228.361 2.294 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1)N(C)C ZINC000674244621 487533786 /nfs/dbraw/zinc/53/37/86/487533786.db2.gz JDQRXCCQMFSASB-GXTWGEPZSA-N 0 1 246.354 2.300 20 0 BEADMN CNC(=O)CN(C)C[C@H](c1ccccc1)C(C)C ZINC000668788550 487534154 /nfs/dbraw/zinc/53/41/54/487534154.db2.gz PFHZTTKLIWVNFH-AWEZNQCLSA-N 0 1 248.370 2.104 20 0 BEADMN C[N@@H+](CCOCc1ccccc1)[C@H]1CCCOC1 ZINC000674912643 487654038 /nfs/dbraw/zinc/65/40/38/487654038.db2.gz LCSXYJJIPMOMRA-HNNXBMFYSA-N 0 1 249.354 2.314 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]2C[C@@H]21 ZINC000672132125 487784018 /nfs/dbraw/zinc/78/40/18/487784018.db2.gz ZGOSBLBDQCHJJR-SKDRFNHKSA-N 0 1 241.294 2.187 20 0 BEADMN Fc1ccc(F)c(CN2CCc3cn[nH]c3C2)c1 ZINC000676794572 487930880 /nfs/dbraw/zinc/93/08/80/487930880.db2.gz FETRUFCXOQVBNA-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN O=C(Nc1ccccc1)[C@H]1CCc2[nH]cnc2C1 ZINC000034385184 487968799 /nfs/dbraw/zinc/96/87/99/487968799.db2.gz WORGAZLRXIPDKZ-JTQLQIEISA-N 0 1 241.294 2.153 20 0 BEADMN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1nccs1 ZINC000667835564 488135931 /nfs/dbraw/zinc/13/59/31/488135931.db2.gz TVUZMJLOFILWNL-INTQDDNPSA-N 0 1 238.356 2.361 20 0 BEADMN Cc1ccc(C)c(CN(C)C(=O)[C@H](C)N(C)C)c1 ZINC000683253010 488138923 /nfs/dbraw/zinc/13/89/23/488138923.db2.gz JVGVIIRASJNSTC-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@H](O)C1(NCc2ccsc2Cl)CC1 ZINC000668703130 488140202 /nfs/dbraw/zinc/14/02/02/488140202.db2.gz XWPBZFWTGSROJU-ZETCQYMHSA-N 0 1 231.748 2.405 20 0 BEADMN Cc1cnc(CN[C@H]2CO[C@H](C3CC3)C2)s1 ZINC000667869813 488142498 /nfs/dbraw/zinc/14/24/98/488142498.db2.gz HVLBGQYIOQDHMV-MNOVXSKESA-N 0 1 238.356 2.109 20 0 BEADMN Cc1oc(C[N@H+](C)C[C@@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000226980398 488148812 /nfs/dbraw/zinc/14/88/12/488148812.db2.gz AAOXGNJRFKXEQH-SCZZXKLOSA-N 0 1 237.299 2.374 20 0 BEADMN Cc1noc([C@@H](C)N2CC[C@@H](C3CC3)C2)n1 ZINC000677905238 488152255 /nfs/dbraw/zinc/15/22/55/488152255.db2.gz DGZYGJISYUERJQ-LDYMZIIASA-N 0 1 221.304 2.171 20 0 BEADMN Cn1cccc1CN1CCC(c2ccon2)CC1 ZINC000668714212 488156649 /nfs/dbraw/zinc/15/66/49/488156649.db2.gz NVQDWBABSHAVEL-UHFFFAOYSA-N 0 1 245.326 2.393 20 0 BEADMN FC(F)Cn1cc(CN[C@H]2CCC[C@@H]2F)cn1 ZINC000339590338 488159872 /nfs/dbraw/zinc/15/98/72/488159872.db2.gz OXYKPEFERWRDEF-UWVGGRQHSA-N 0 1 247.264 2.128 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)Nc1ccccc1 ZINC000059908987 488170951 /nfs/dbraw/zinc/17/09/51/488170951.db2.gz DANKOAJWIIZPBQ-CYBMUJFWSA-N 0 1 247.342 2.292 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)n1 ZINC000678045600 488182501 /nfs/dbraw/zinc/18/25/01/488182501.db2.gz HWOMWFOTEYRSOM-GUBZILKMSA-N 0 1 223.320 2.417 20 0 BEADMN c1c(CN2CC[C@@H]3CCC[C@H]32)nnn1C1CCC1 ZINC000668013150 488185915 /nfs/dbraw/zinc/18/59/15/488185915.db2.gz QWYVRWBTKURGJB-SMDDNHRTSA-N 0 1 246.358 2.378 20 0 BEADMN CCN(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678120892 488201036 /nfs/dbraw/zinc/20/10/36/488201036.db2.gz KIBZEGDGEYGZEP-UHFFFAOYSA-N 0 1 215.300 2.432 20 0 BEADMN C[C@@H]1CN(C(=O)Nc2ccccc2)[C@H](C)CN1C ZINC000678142878 488206015 /nfs/dbraw/zinc/20/60/15/488206015.db2.gz BQKGLPCEGXSKGT-VXGBXAGGSA-N 0 1 247.342 2.243 20 0 BEADMN CN(C)C(=O)c1ccccc1CN1CC=CCC1 ZINC000669551709 488211530 /nfs/dbraw/zinc/21/15/30/488211530.db2.gz DFTDTXYGZOQTTR-UHFFFAOYSA-N 0 1 244.338 2.150 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC1CCC1 ZINC000398564111 488220325 /nfs/dbraw/zinc/22/03/25/488220325.db2.gz FLZGOQRASBCRPS-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN OC[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000678225972 488220752 /nfs/dbraw/zinc/22/07/52/488220752.db2.gz WPRQRAMVOGHTTJ-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN CO[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@@H]1OC ZINC000683787640 488222289 /nfs/dbraw/zinc/22/22/89/488222289.db2.gz QBOWPZKXIJBJKZ-KFWWJZLASA-N 0 1 247.338 2.020 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1ccnc(N)c1 ZINC000683785394 488222551 /nfs/dbraw/zinc/22/25/51/488222551.db2.gz QRCLCKXEIQYJPS-NSHDSACASA-N 0 1 242.326 2.218 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCC1CCC1 ZINC000398807250 488224683 /nfs/dbraw/zinc/22/46/83/488224683.db2.gz WIONMVORHHDNTA-LBPRGKRZSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)[N@H+](Cc1[nH]nc2ccccc21)C[C@H](C)O ZINC000678241784 488225268 /nfs/dbraw/zinc/22/52/68/488225268.db2.gz OEVBESOHEZZQHN-NSHDSACASA-N 0 1 247.342 2.154 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCC2CCC2)C1 ZINC000399109069 488227714 /nfs/dbraw/zinc/22/77/14/488227714.db2.gz WUQAWBISEKJZBO-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC2CCC2)C1 ZINC000399109066 488227722 /nfs/dbraw/zinc/22/77/22/488227722.db2.gz WUQAWBISEKJZBO-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN c1cc2c(s1)CCCN(Cc1cn[nH]c1)C2 ZINC000678259090 488227756 /nfs/dbraw/zinc/22/77/56/488227756.db2.gz AFYJDSCSKNSDLF-UHFFFAOYSA-N 0 1 233.340 2.420 20 0 BEADMN Fc1cccc(F)c1CN1CCc2cn[nH]c2C1 ZINC000678275955 488235559 /nfs/dbraw/zinc/23/55/59/488235559.db2.gz MSWAHWPOMALBIV-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN CC1(C)CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000684078324 488260639 /nfs/dbraw/zinc/26/06/39/488260639.db2.gz LYKPMACKPIRBDI-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN C[C@@]1([NH2+]Cc2n[nH]c3ccccc32)CCCOC1 ZINC000678500738 488263206 /nfs/dbraw/zinc/26/32/06/488263206.db2.gz WCTPHDSQZLVLJS-CQSZACIVSA-N 0 1 245.326 2.222 20 0 BEADMN CCc1noc(CN2[C@H](C)CC[C@@H]2CC)n1 ZINC000678535025 488264392 /nfs/dbraw/zinc/26/43/92/488264392.db2.gz FSEBACRSTNTKJR-ZJUUUORDSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1noc(CN2[C@H](C)CC[C@H]2CC)n1 ZINC000678535022 488264854 /nfs/dbraw/zinc/26/48/54/488264854.db2.gz FSEBACRSTNTKJR-NXEZZACHSA-N 0 1 223.320 2.395 20 0 BEADMN CCOc1ccc(CN2[C@H](C)C[C@H]2C)nc1 ZINC000684208087 488276720 /nfs/dbraw/zinc/27/67/20/488276720.db2.gz HBAVPFOSJGJGCS-GHMZBOCLSA-N 0 1 220.316 2.463 20 0 BEADMN CN(Cc1ccc[nH]1)Cc1ccc(CO)cc1 ZINC000679320248 488335319 /nfs/dbraw/zinc/33/53/19/488335319.db2.gz YRVVRTBMRJPWIT-UHFFFAOYSA-N 0 1 230.311 2.139 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000043585349 488289976 /nfs/dbraw/zinc/28/99/76/488289976.db2.gz WNZRTRWLJJXXET-LBPRGKRZSA-N 0 1 248.326 2.158 20 0 BEADMN C[C@@H](C(=O)N(C)c1ccc2cc[nH]c2c1)N(C)C ZINC000684338468 488294746 /nfs/dbraw/zinc/29/47/46/488294746.db2.gz ZEUNDLOMNFOAIW-JTQLQIEISA-N 0 1 245.326 2.081 20 0 BEADMN CO[C@H]1CCC[C@H](Nc2ccc3nn[nH]c3c2)C1 ZINC000684386519 488303727 /nfs/dbraw/zinc/30/37/27/488303727.db2.gz ULFMYGQBXUQBGD-ONGXEEELSA-N 0 1 246.314 2.327 20 0 BEADMN CO[C@H]1CCC[C@H](Nc2ccc3n[nH]nc3c2)C1 ZINC000684386519 488303729 /nfs/dbraw/zinc/30/37/29/488303729.db2.gz ULFMYGQBXUQBGD-ONGXEEELSA-N 0 1 246.314 2.327 20 0 BEADMN FC1(CNc2cnn(-c3ccncc3)c2)CC1 ZINC000684391542 488304528 /nfs/dbraw/zinc/30/45/28/488304528.db2.gz YHKWHUPSHPFTHE-UHFFFAOYSA-N 0 1 232.262 2.181 20 0 BEADMN CCCN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673737501 488306507 /nfs/dbraw/zinc/30/65/07/488306507.db2.gz GXXHKFWXTOMHIK-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN Cc1cc(NCc2[nH]nc3ccccc32)no1 ZINC000679117887 488309930 /nfs/dbraw/zinc/30/99/30/488309930.db2.gz RLJFNGVEGPJYCM-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1cc(C2CCN(C(=O)[C@H]3C[C@H]3C)CC2)n[nH]1 ZINC000679168119 488314125 /nfs/dbraw/zinc/31/41/25/488314125.db2.gz YQCQBHHHXNZSLS-SKDRFNHKSA-N 0 1 247.342 2.080 20 0 BEADMN CN(C)c1ccnc(NC(=O)CCC(F)F)c1 ZINC000684476617 488319568 /nfs/dbraw/zinc/31/95/68/488319568.db2.gz WETFTXAJOORIGM-UHFFFAOYSA-N 0 1 243.257 2.131 20 0 BEADMN C[C@@H]1CCN(CCOC(C)(C)C)C[C@H]1F ZINC000679226348 488322045 /nfs/dbraw/zinc/32/20/45/488322045.db2.gz UFLLEXVPGZBTDF-GHMZBOCLSA-N 0 1 217.328 2.481 20 0 BEADMN Cc1nccc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000684534006 488326519 /nfs/dbraw/zinc/32/65/19/488326519.db2.gz LFHWYDDTJVFPGK-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1nccc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000684534006 488326520 /nfs/dbraw/zinc/32/65/20/488326520.db2.gz LFHWYDDTJVFPGK-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN C[C@@H](CO)[C@H](C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684573843 488328347 /nfs/dbraw/zinc/32/83/47/488328347.db2.gz FHXTUTQDSBIVHC-UWVGGRQHSA-N 0 1 246.310 2.369 20 0 BEADMN C[C@@H](Nc1cc[nH+]c2c([O-])cccc12)[C@H](C)CO ZINC000684573842 488328475 /nfs/dbraw/zinc/32/84/75/488328475.db2.gz FHXTUTQDSBIVHC-NXEZZACHSA-N 0 1 246.310 2.369 20 0 BEADMN Cc1cccc2nc(NCc3c[nH]nn3)sc21 ZINC000684577776 488328630 /nfs/dbraw/zinc/32/86/30/488328630.db2.gz UDFVIDVGBLGMOH-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC=CCC2)c1 ZINC000679327924 488339898 /nfs/dbraw/zinc/33/98/98/488339898.db2.gz XERHQDXTGWIWIL-UHFFFAOYSA-N 0 1 241.294 2.273 20 0 BEADMN C[C@@H](C(=O)NC[C@H]1CCC[C@@H](C)[C@H]1C)N(C)C ZINC000684756117 488340042 /nfs/dbraw/zinc/34/00/42/488340042.db2.gz BZNHJRHWAQWCMQ-FVCCEPFGSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)c2)C[C@@H]1F ZINC000679358417 488345471 /nfs/dbraw/zinc/34/54/71/488345471.db2.gz IILBWZIXHVPMDN-PWSUYJOCSA-N 0 1 210.296 2.205 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCSC2)sn1 ZINC000684836080 488347297 /nfs/dbraw/zinc/34/72/97/488347297.db2.gz PZLWBPCVBPONPB-VIFPVBQESA-N 0 1 228.386 2.389 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000679569820 488358473 /nfs/dbraw/zinc/35/84/73/488358473.db2.gz KQYDTNIWBPXRFA-AVGNSLFASA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000679569823 488358542 /nfs/dbraw/zinc/35/85/42/488358542.db2.gz KQYDTNIWBPXRFA-YNEHKIRRSA-N 0 1 240.391 2.221 20 0 BEADMN CN(c1ncc(Cl)s1)[C@@H]1CCCN(C)C1 ZINC000679633320 488360825 /nfs/dbraw/zinc/36/08/25/488360825.db2.gz BIXAQICPSZYDQK-MRVPVSSYSA-N 0 1 245.779 2.327 20 0 BEADMN CCCN(CC(=O)NCC)Cc1ccc(C)cc1 ZINC000679635731 488361109 /nfs/dbraw/zinc/36/11/09/488361109.db2.gz IKGUBXIXSFWBGR-UHFFFAOYSA-N 0 1 248.370 2.343 20 0 BEADMN CC1(NC(=O)c2cccc3nc[nH]c32)CC=CC1 ZINC000655222984 490048920 /nfs/dbraw/zinc/04/89/20/490048920.db2.gz JTYGUGJZXPPRQI-UHFFFAOYSA-N 0 1 241.294 2.401 20 0 BEADMN Cc1cccc([C@@H](C)CNC(=O)[C@H](C)N(C)C)c1 ZINC000078749318 490058309 /nfs/dbraw/zinc/05/83/09/490058309.db2.gz CZBKWDVDSQHFKU-STQMWFEESA-N 0 1 248.370 2.165 20 0 BEADMN c1ccc2c(c1)OC[C@@H](CN1CC=CCC1)O2 ZINC000679322502 490113434 /nfs/dbraw/zinc/11/34/34/490113434.db2.gz ANGJIEHJENZVEK-GFCCVEGCSA-N 0 1 231.295 2.088 20 0 BEADMN COc1c(C)cnc(CN2CC=CCC2)c1C ZINC000679322189 490113532 /nfs/dbraw/zinc/11/35/32/490113532.db2.gz DOUIFYFTNNLNEQ-UHFFFAOYSA-N 0 1 232.327 2.469 20 0 BEADMN C[C@@H](Cc1cccs1)NCc1ccon1 ZINC000122426341 490139265 /nfs/dbraw/zinc/13/92/65/490139265.db2.gz KETSHFXUPDBZQY-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN C[C@@H](Cc1ccsc1)NCc1ccon1 ZINC000122423516 490139394 /nfs/dbraw/zinc/13/93/94/490139394.db2.gz RDGATJWMOSDVTA-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CCCC1CC1 ZINC000643187452 490154744 /nfs/dbraw/zinc/15/47/44/490154744.db2.gz WNRYDCAHAHLKFH-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCN(CC(C)=O)Cc1ccc(C)cc1 ZINC000147273558 490168859 /nfs/dbraw/zinc/16/88/59/490168859.db2.gz KFPRRCIJRLZWHI-UHFFFAOYSA-N 0 1 205.301 2.406 20 0 BEADMN Cc1cc(NC(=O)[C@H](C)N(C)C)ccc1F ZINC000078713503 490220578 /nfs/dbraw/zinc/22/05/78/490220578.db2.gz XEKILKBTXQWAFG-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)N(C)C ZINC000078753787 490228012 /nfs/dbraw/zinc/22/80/12/490228012.db2.gz KZNUHCWGKCOOOM-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]1c1ccccc1)N(C)C ZINC000078755268 490228191 /nfs/dbraw/zinc/22/81/91/490228191.db2.gz VXECUHNNQDMIGJ-DYEKYZERSA-N 0 1 246.354 2.156 20 0 BEADMN CCn1ccnc1CN[C@@H]1CC[C@@H](C)SC1 ZINC000655773164 490229235 /nfs/dbraw/zinc/22/92/35/490229235.db2.gz TWPCUKZCRQYMLR-GHMZBOCLSA-N 0 1 239.388 2.277 20 0 BEADMN CC[C@H](C)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000071079410 490255376 /nfs/dbraw/zinc/25/53/76/490255376.db2.gz MDMNYFQZASKZST-JTQLQIEISA-N 0 1 245.326 2.153 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1ccccc1CO ZINC000305106536 490433654 /nfs/dbraw/zinc/43/36/54/490433654.db2.gz FDCNSSYIPVUUPM-JTQLQIEISA-N 0 1 245.326 2.061 20 0 BEADMN Cc1cnn(CCN[C@@H](C)c2c(C)noc2C)c1 ZINC000305568070 490465272 /nfs/dbraw/zinc/46/52/72/490465272.db2.gz UUKABBAXLJVFHX-JTQLQIEISA-N 0 1 248.330 2.147 20 0 BEADMN CC1(NC(=O)c2cc(F)cc3nc[nH]c32)CCC1 ZINC000125884321 490470400 /nfs/dbraw/zinc/47/04/00/490470400.db2.gz XASYYDGCUPPVCS-UHFFFAOYSA-N 0 1 247.273 2.374 20 0 BEADMN C[C@]1(C2CC2)CN(CCc2ccncc2)CCO1 ZINC000661167185 490497137 /nfs/dbraw/zinc/49/71/37/490497137.db2.gz NOJQUIUXDJIDLU-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN O=C(NCc1cnc[nH]1)C(C1CCC1)C1CCC1 ZINC000306088070 490626622 /nfs/dbraw/zinc/62/66/22/490626622.db2.gz KRKLDHHLYPUKBW-UHFFFAOYSA-N 0 1 247.342 2.242 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCCOC(C)C ZINC000086110516 491057850 /nfs/dbraw/zinc/05/78/50/491057850.db2.gz AMZCHTKPUNKIGG-SECBINFHSA-N 0 1 226.320 2.367 20 0 BEADMN CCc1noc(CN2CCCC[C@H](C)C2)n1 ZINC000681465353 491062454 /nfs/dbraw/zinc/06/24/54/491062454.db2.gz QKGQJQYXZDGISF-JTQLQIEISA-N 0 1 223.320 2.254 20 0 BEADMN Cc1ccnc(NCCC2(CO)CCC2)c1 ZINC000651465400 491063406 /nfs/dbraw/zinc/06/34/06/491063406.db2.gz MJBHKYVYQUNKLD-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN CCN(CC(=O)Nc1cccc(C)c1O)C1CC1 ZINC000136045023 491052494 /nfs/dbraw/zinc/05/24/94/491052494.db2.gz AUOFLKBBCVUTBB-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN C[C@@H](CNC(=O)c1ccc(F)cc1O)C1CC1 ZINC000228308936 491093106 /nfs/dbraw/zinc/09/31/06/491093106.db2.gz BVAQPRVWAPPQHE-QMMMGPOBSA-N 0 1 237.274 2.307 20 0 BEADMN CC(C)c1cc(CN[C@H](C)Cn2cccn2)on1 ZINC000138462635 491122471 /nfs/dbraw/zinc/12/24/71/491122471.db2.gz LDISXEITVAFOBB-LLVKDONJSA-N 0 1 248.330 2.173 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccnn2C)s1 ZINC000090402465 491125895 /nfs/dbraw/zinc/12/58/95/491125895.db2.gz XASLQCSUBAXCRD-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN CCOc1cccc(NCc2cn[nH]c2C)n1 ZINC000105782332 491128379 /nfs/dbraw/zinc/12/83/79/491128379.db2.gz XLYYBOYIAGDFDB-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN C[C@H](CNCc1nccs1)c1nccs1 ZINC000230693167 491130538 /nfs/dbraw/zinc/13/05/38/491130538.db2.gz MWJPJFRWUGLEKR-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC1CC(O)C1 ZINC000091490865 491130899 /nfs/dbraw/zinc/13/08/99/491130899.db2.gz VHKZOZMRTPCXCX-UHFFFAOYSA-N 0 1 241.281 2.168 20 0 BEADMN CCN(CC)Cc1cnnn1-c1ccccc1 ZINC000081481276 491135063 /nfs/dbraw/zinc/13/50/63/491135063.db2.gz VSUMTGPJVVHOJG-UHFFFAOYSA-N 0 1 230.315 2.109 20 0 BEADMN c1csc(CNCCCOCC2CC2)n1 ZINC000082394022 491145650 /nfs/dbraw/zinc/14/56/50/491145650.db2.gz ZYZFACJKNUZZCA-UHFFFAOYSA-N 0 1 226.345 2.049 20 0 BEADMN Cc1csc(CN[C@@H](C)[C@@H]2CCCCO2)n1 ZINC000309772890 491156151 /nfs/dbraw/zinc/15/61/51/491156151.db2.gz KYNOCEATPCPXAO-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN CCc1nc(CN[C@]2(CC)CCOC2)cs1 ZINC000309959707 491158368 /nfs/dbraw/zinc/15/83/68/491158368.db2.gz KIJKIXXJKZTDFM-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN CC/C=C(/C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844644329 582605677 /nfs/dbraw/zinc/60/56/77/582605677.db2.gz NFNJFWKPLXIYII-UOTYLRNMSA-N 0 1 238.375 2.282 20 0 BEADMN C[C@H](NCCOC1CCC1)c1nccs1 ZINC000309126169 533858959 /nfs/dbraw/zinc/85/89/59/533858959.db2.gz PPSNUDUYGGQXOH-VIFPVBQESA-N 0 1 226.345 2.363 20 0 BEADMN C[C@@H]1C[C@H](NCc2nnc3n2CCCCC3)[C@@H]1C ZINC000494890249 533958982 /nfs/dbraw/zinc/95/89/82/533958982.db2.gz FIXMAXGAPBMSLB-UTUOFQBUSA-N 0 1 248.374 2.139 20 0 BEADMN C[C@@H]1C[C@H](NCc2ncnn2C(C)(C)C)[C@@H]1C ZINC000494994818 533960277 /nfs/dbraw/zinc/96/02/77/533960277.db2.gz KQFFGNVBXHOSPA-MXWKQRLJSA-N 0 1 236.363 2.167 20 0 BEADMN CC[C@@H]1CCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335339696 535820245 /nfs/dbraw/zinc/82/02/45/535820245.db2.gz WWIKUFUZGFWFEM-MNOVXSKESA-N 0 1 247.342 2.231 20 0 BEADMN COc1nccc(CN2CC[C@H](C)[C@@H]2C)c1F ZINC000892215563 582808269 /nfs/dbraw/zinc/80/82/69/582808269.db2.gz YALHZBBWQHCKHU-UWVGGRQHSA-N 0 1 238.306 2.460 20 0 BEADMN CC[C@@H]1CCN(Cc2ccnc(OC)c2F)C1 ZINC000892224502 582809893 /nfs/dbraw/zinc/80/98/93/582809893.db2.gz WHIVFMOAMVLECL-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000070163086 534724229 /nfs/dbraw/zinc/72/42/29/534724229.db2.gz OBUQQCSLUAHBEK-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@H](C)[C@@H](O)C2)cc1 ZINC000336198265 534843914 /nfs/dbraw/zinc/84/39/14/534843914.db2.gz CLVBGHCTIHLORW-NHYWBVRUSA-N 0 1 247.338 2.092 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC000336198263 534844212 /nfs/dbraw/zinc/84/42/12/534844212.db2.gz CLVBGHCTIHLORW-ABAIWWIYSA-N 0 1 247.338 2.092 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1ccnc(CN)c1 ZINC000129995274 534914468 /nfs/dbraw/zinc/91/44/68/534914468.db2.gz QGQGWRQWYNJAKK-LLVKDONJSA-N 0 1 249.358 2.095 20 0 BEADMN CC=CC=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000493002851 527611097 /nfs/dbraw/zinc/61/10/97/527611097.db2.gz GKCIUTUKUNWUMC-QMEIYDMWSA-N 0 1 231.299 2.036 20 0 BEADMN CCCCN(CN1CC(C)(C)OC1=O)C1CC1 ZINC000494060153 528440389 /nfs/dbraw/zinc/44/03/89/528440389.db2.gz YUNDQGKLGCJBAP-UHFFFAOYSA-N 0 1 240.347 2.439 20 0 BEADMN CCOC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000493403828 528496792 /nfs/dbraw/zinc/49/67/92/528496792.db2.gz QYTVVZZNZSTSMB-SNAWJCMRSA-N 0 1 245.229 2.144 20 0 BEADMN CC(C)n1ccnc1CN[C@]1(C)CCO[C@@H]1C ZINC000494203704 528607370 /nfs/dbraw/zinc/60/73/70/528607370.db2.gz FEVLRCHTWWATCU-DGCLKSJQSA-N 0 1 237.347 2.121 20 0 BEADMN CCOC(=O)CN(C[C@@H]1CCSC1)C(C)C ZINC000495167673 528801351 /nfs/dbraw/zinc/80/13/51/528801351.db2.gz NITRHAIIYZILER-NSHDSACASA-N 0 1 245.388 2.013 20 0 BEADMN CCCN1C(=O)N=NC1SCC[C@@H](C)F ZINC000505462434 528822955 /nfs/dbraw/zinc/82/29/55/528822955.db2.gz QXXRLHJSWRPPTA-SSDOTTSWSA-N 0 1 233.312 2.234 20 0 BEADMN CC(C)[C@H](C)N(C)CN1CC(C)(C)OC1=O ZINC000494003376 528958476 /nfs/dbraw/zinc/95/84/76/528958476.db2.gz ZFSWZCVJERIRGD-JTQLQIEISA-N 0 1 228.336 2.151 20 0 BEADMN CCN1CCN(CCC(C)(C)CC)[C@@H](C)C1=O ZINC000495196845 529142463 /nfs/dbraw/zinc/14/24/63/529142463.db2.gz VSYNEZXHSZFWTJ-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)(C)n1cc(CN[C@@H]2CC[C@H](F)C2)nn1 ZINC000342317208 534955762 /nfs/dbraw/zinc/95/57/62/534955762.db2.gz NVETYZVWZXTKIE-VHSXEESVSA-N 0 1 240.326 2.013 20 0 BEADMN CC(C)(C)n1ncnc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000334508707 534973918 /nfs/dbraw/zinc/97/39/18/534973918.db2.gz RNNWCDXUKZFDHR-VXGBXAGGSA-N 0 1 248.374 2.265 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000335954015 535199854 /nfs/dbraw/zinc/19/98/54/535199854.db2.gz WIAKNUWOBQGFHE-GFCCVEGCSA-N 0 1 233.315 2.158 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ncc[nH]1 ZINC000185199663 535294974 /nfs/dbraw/zinc/29/49/74/535294974.db2.gz VOELIZVWLKIKBC-NEPJUHHUSA-N 0 1 237.347 2.093 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H]2C)n[nH]1 ZINC000336013684 535356994 /nfs/dbraw/zinc/35/69/94/535356994.db2.gz XPWFVXBWGQIIHK-VHSXEESVSA-N 0 1 235.331 2.404 20 0 BEADMN CC1(C)C[C@@H](N[C@H]2CCn3ccnc32)C(C)(C)O1 ZINC000335575095 535365657 /nfs/dbraw/zinc/36/56/57/535365657.db2.gz CGCLKFZAVPESGO-WDEREUQCSA-N 0 1 249.358 2.264 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000226228353 535366597 /nfs/dbraw/zinc/36/65/97/535366597.db2.gz IFPONEAUCUKJGD-SECBINFHSA-N 0 1 243.310 2.339 20 0 BEADMN CCN(Cc1ncccn1)[C@@H]1CCOC(C)(C)C1 ZINC000351936581 535392426 /nfs/dbraw/zinc/39/24/26/535392426.db2.gz LXCOEZKQVWZEFC-GFCCVEGCSA-N 0 1 249.358 2.256 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC(C)(C)C ZINC000171463437 535496788 /nfs/dbraw/zinc/49/67/88/535496788.db2.gz FAIWNHJYVCYEFP-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000334357209 535611317 /nfs/dbraw/zinc/61/13/17/535611317.db2.gz PMQDMIQVRRIJDW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCn1cc(CNCc2ccc(C)nc2)cn1 ZINC000227283991 535611958 /nfs/dbraw/zinc/61/19/58/535611958.db2.gz XDEVNDGTURIYSI-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN CCCn1cc(CNCc2ccc(O)cc2)cn1 ZINC000227286343 535612400 /nfs/dbraw/zinc/61/24/00/535612400.db2.gz UPIUOUBJTDNTOW-UHFFFAOYSA-N 0 1 245.326 2.289 20 0 BEADMN CCOC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000260994281 535677856 /nfs/dbraw/zinc/67/78/56/535677856.db2.gz UOOJMUOJNVDIAN-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000334310336 535777900 /nfs/dbraw/zinc/77/79/00/535777900.db2.gz JBSUAPOEXASMFG-CHWSQXEVSA-N 0 1 246.354 2.241 20 0 BEADMN CC[C@@H](O)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076147913 535813662 /nfs/dbraw/zinc/81/36/62/535813662.db2.gz CBQZVMLVHPSURX-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CCn1nccc1CN1CCC12CCC2 ZINC000335944445 535868441 /nfs/dbraw/zinc/86/84/41/535868441.db2.gz AMRDYIZHHILFFP-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@H]2CC)n[nH]1 ZINC000334616622 536117898 /nfs/dbraw/zinc/11/78/98/536117898.db2.gz NUYBVPXURHANDI-MWLCHTKSSA-N 0 1 235.331 2.233 20 0 BEADMN C[N@@H+](CCCC1CCCC1)CCC(=O)[O-] ZINC000261591102 536329369 /nfs/dbraw/zinc/32/93/69/536329369.db2.gz UZQWIAADXNMHKL-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CN1CCN(c2ccnc3ccsc32)CC1 ZINC000266158957 536424272 /nfs/dbraw/zinc/42/42/72/536424272.db2.gz VXFLTZTVTKQVFP-UHFFFAOYSA-N 0 1 233.340 2.048 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CC[C@H](C)F ZINC000351810758 536506455 /nfs/dbraw/zinc/50/64/55/536506455.db2.gz ARDSIONUAJXOHO-DCAQKATOSA-N 0 1 231.311 2.008 20 0 BEADMN CO[C@@H]1CCN(Cc2ccncc2F)[C@@H](C)C1 ZINC000336210107 536688024 /nfs/dbraw/zinc/68/80/24/536688024.db2.gz HDUGEGMQTANGIF-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN COC[C@@H]1CCCCN(Cc2nccc(C)n2)C1 ZINC000342735932 536741581 /nfs/dbraw/zinc/74/15/81/536741581.db2.gz DKFYAUSNTYSQSD-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN COc1ccccc1CNCc1cc[nH]c1 ZINC000080773149 537047997 /nfs/dbraw/zinc/04/79/97/537047997.db2.gz CGZWCTWVHVINMF-UHFFFAOYSA-N 0 1 216.284 2.313 20 0 BEADMN COc1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000261771250 537067972 /nfs/dbraw/zinc/06/79/72/537067972.db2.gz NEJONZPGMPPRFK-UHFFFAOYSA-N 0 1 245.282 2.083 20 0 BEADMN CC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\C(C)(C)C ZINC000893873898 583239123 /nfs/dbraw/zinc/23/91/23/583239123.db2.gz SBNHDKIOSBRXPS-MMRAYRKESA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@H]1CNC(=O)/C(C)=C\C(C)(C)C ZINC000893873898 583239125 /nfs/dbraw/zinc/23/91/25/583239125.db2.gz SBNHDKIOSBRXPS-MMRAYRKESA-N 0 1 238.375 2.189 20 0 BEADMN CSc1ccc(CN2CCC[C@@](C)(O)C2)o1 ZINC000894041273 583285147 /nfs/dbraw/zinc/28/51/47/583285147.db2.gz BEOATZGTGVHDAJ-GFCCVEGCSA-N 0 1 241.356 2.348 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)s1 ZINC000853213910 588725307 /nfs/dbraw/zinc/72/53/07/588725307.db2.gz LMQJRXGCWKUOHW-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN CCCCCCC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853214090 588725541 /nfs/dbraw/zinc/72/55/41/588725541.db2.gz DIYUBEDAFQTLKT-SECBINFHSA-N 0 1 225.292 2.379 20 0 BEADMN Cc1ccc([C@H](C)C(=O)O[C@H](C)c2nnc[nH]2)o1 ZINC000853220318 588726060 /nfs/dbraw/zinc/72/60/60/588726060.db2.gz KPVGTYYDWHWLMV-DTWKUNHWSA-N 0 1 249.270 2.114 20 0 BEADMN CCC1(C(=O)O[C@@H](C)c2nnc[nH]2)CCCC1 ZINC000853220973 588726062 /nfs/dbraw/zinc/72/60/62/588726062.db2.gz PBFDEYGVWMNHMB-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853219986 588726102 /nfs/dbraw/zinc/72/61/02/588726102.db2.gz UPCSHCYYPPZYLH-ZJUUUORDSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)/C=C/C(C)(C)C)c1nnc[nH]1 ZINC000853221256 588726152 /nfs/dbraw/zinc/72/61/52/588726152.db2.gz VAHNJEQAYJFRCI-GJIOHYHPSA-N 0 1 223.276 2.011 20 0 BEADMN C[C@@H](OC(=O)[C@H](C)C1CCCC1)c1nnc[nH]1 ZINC000853220693 588726250 /nfs/dbraw/zinc/72/62/50/588726250.db2.gz MYEOQXIIXGRDMO-RKDXNWHRSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCC(C)(C)C1)c1nnc[nH]1 ZINC000853222393 588726631 /nfs/dbraw/zinc/72/66/31/588726631.db2.gz LMWFJCIWHLZARD-IUCAKERBSA-N 0 1 237.303 2.235 20 0 BEADMN CC[C@H](C)CCC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222788 588726728 /nfs/dbraw/zinc/72/67/28/588726728.db2.gz BTQNKUIWOKMZJV-DTWKUNHWSA-N 0 1 225.292 2.235 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224412 588726773 /nfs/dbraw/zinc/72/67/73/588726773.db2.gz FTEYDPNUHCBWDM-OPRDCNLKSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1c(F)cccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224008 588726808 /nfs/dbraw/zinc/72/68/08/588726808.db2.gz AMEPGRGJGMPYLD-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224409 588726854 /nfs/dbraw/zinc/72/68/54/588726854.db2.gz FTEYDPNUHCBWDM-AEJSXWLSSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1sccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225739 588727166 /nfs/dbraw/zinc/72/71/66/588727166.db2.gz RRQVYVXORKYVBN-ZCFIWIBFSA-N 0 1 237.284 2.093 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224913 588727300 /nfs/dbraw/zinc/72/73/00/588727300.db2.gz IYCXLVMZRAQTGC-IUCAKERBSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)[C@H]1C[C@H]1C1CCCC1)c1nnc[nH]1 ZINC000853227416 588727756 /nfs/dbraw/zinc/72/77/56/588727756.db2.gz PWNBQYFDMGKBGM-LSJOCFKGSA-N 0 1 249.314 2.235 20 0 BEADMN C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000111255239 588737847 /nfs/dbraw/zinc/73/78/47/588737847.db2.gz VCCCHFJMLNLDSX-MZMNXDGSSA-N 0 1 245.322 2.352 20 0 BEADMN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111255030 588738103 /nfs/dbraw/zinc/73/81/03/588738103.db2.gz AYVJNSFYUJBVSV-WCQYABFASA-N 0 1 233.311 2.148 20 0 BEADMN CC(C)[C@H]1CCN(CN2CCC[C@@H](C)C2)C1=O ZINC000853486669 588745466 /nfs/dbraw/zinc/74/54/66/588745466.db2.gz AWSVTXXKZQAXNM-CHWSQXEVSA-N 0 1 238.375 2.180 20 0 BEADMN c1cc(C[NH2+]C[C@H]2CCc3ccccc32)[nH]n1 ZINC000111390707 588747583 /nfs/dbraw/zinc/74/75/83/588747583.db2.gz YJHVQPZIVTUCMS-GFCCVEGCSA-N 0 1 227.311 2.229 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1CC(C)(C)CC1=O ZINC000853629042 588751105 /nfs/dbraw/zinc/75/11/05/588751105.db2.gz ZMXUPEPYQUOKQE-NSHDSACASA-N 0 1 238.375 2.180 20 0 BEADMN Cc1ccnc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000111679389 588766324 /nfs/dbraw/zinc/76/63/24/588766324.db2.gz GWAQRLDOEBGPBS-SNVBAGLBSA-N 0 1 244.298 2.255 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(C)o2)no1 ZINC000854149856 588777042 /nfs/dbraw/zinc/77/70/42/588777042.db2.gz SEIHJEBCVOXGDU-QMMMGPOBSA-N 0 1 221.260 2.309 20 0 BEADMN Cc1cc(-c2noc(CNC(C)C)n2)ccc1O ZINC000854153417 588777088 /nfs/dbraw/zinc/77/70/88/588777088.db2.gz MDBSJEYZZYOUKV-UHFFFAOYSA-N 0 1 247.298 2.249 20 0 BEADMN CC(C)c1nn(C)cc1-c1cncc2nc[nH]c21 ZINC000854173116 588778107 /nfs/dbraw/zinc/77/81/07/588778107.db2.gz MEAYQMNGPOHNBT-UHFFFAOYSA-N 0 1 241.298 2.482 20 0 BEADMN CC(C)c1nn(C)cc1-c1cncc2[nH]cnc21 ZINC000854173116 588778108 /nfs/dbraw/zinc/77/81/08/588778108.db2.gz MEAYQMNGPOHNBT-UHFFFAOYSA-N 0 1 241.298 2.482 20 0 BEADMN CCC1(C(=O)NOc2ccccc2)CC1 ZINC000854537623 588791777 /nfs/dbraw/zinc/79/17/77/588791777.db2.gz XACUFADQPUJNME-UHFFFAOYSA-N 0 1 205.257 2.287 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000854602173 588796317 /nfs/dbraw/zinc/79/63/17/588796317.db2.gz OBUDNCREIIEPDQ-HBNTYKKESA-N 0 1 243.347 2.284 20 0 BEADMN CCc1ccc(C(=O)N(C)Cc2cnc[nH]2)s1 ZINC000855134742 588822832 /nfs/dbraw/zinc/82/28/32/588822832.db2.gz YRRSAXAGODFKRD-UHFFFAOYSA-N 0 1 249.339 2.306 20 0 BEADMN C/C(=C\C(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000855135734 588823078 /nfs/dbraw/zinc/82/30/78/588823078.db2.gz VBWYUCVCUCUOQV-UXBLZVDNSA-N 0 1 235.331 2.361 20 0 BEADMN CC/C=C(\C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855167188 588824753 /nfs/dbraw/zinc/82/47/53/588824753.db2.gz XELLSFQWJUAZPU-VNKGSWCUSA-N 0 1 238.375 2.332 20 0 BEADMN O=C1CCCN1CN1CC[C@H](c2ccccc2)C1 ZINC000113243053 588827950 /nfs/dbraw/zinc/82/79/50/588827950.db2.gz FXSIRUMGDBEFNT-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000113396483 588838365 /nfs/dbraw/zinc/83/83/65/588838365.db2.gz CTCZHCLDANRSIO-GXTWGEPZSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@@H](NCc1coc(C2CC2)n1)[C@@H]1CCOC1 ZINC000742376959 582664637 /nfs/dbraw/zinc/66/46/37/582664637.db2.gz JGHOYGFEXXARJS-MWLCHTKSSA-N 0 1 236.315 2.067 20 0 BEADMN C[C@H]1Cc2cc(CN3CCCOCC3)ccc2O1 ZINC000891720091 582714061 /nfs/dbraw/zinc/71/40/61/582714061.db2.gz KLEKNMOIAMFVFV-LBPRGKRZSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@@H]1COCCCN1Cc1cnn(C2CCC2)c1 ZINC000892077233 582786324 /nfs/dbraw/zinc/78/63/24/582786324.db2.gz PAKLAMLKMFHDBR-GFCCVEGCSA-N 0 1 249.358 2.219 20 0 BEADMN CC[C@H](NC)c1nc(-c2cc(C)ccn2)no1 ZINC000104415662 582793736 /nfs/dbraw/zinc/79/37/36/582793736.db2.gz VRSNMYQQZIRLII-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN C[C@]1(O)CCN(Cc2cc(O)cc(Cl)c2)C1 ZINC000892186075 582806893 /nfs/dbraw/zinc/80/68/93/582806893.db2.gz QEYPGGNNJJFKOU-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN CCCCC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000889526818 582817967 /nfs/dbraw/zinc/81/79/67/582817967.db2.gz TYJPFECHPSEOSL-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1oncc1CN1CCC[C@H](n2ccnc2)C1 ZINC000782488240 582909434 /nfs/dbraw/zinc/90/94/34/582909434.db2.gz ACTWLTXKOFGMLN-ZDUSSCGKSA-N 0 1 246.314 2.017 20 0 BEADMN Cn1ccnc1[C@@H](N[C@H]1C=CCC1)C1CC1 ZINC000850509351 582923185 /nfs/dbraw/zinc/92/31/85/582923185.db2.gz NEMZMLIAXLNGAB-RYUDHWBXSA-N 0 1 217.316 2.179 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840577283 582949389 /nfs/dbraw/zinc/94/93/89/582949389.db2.gz WNTGLAKWBATDTC-SZEHBUNVSA-N 0 1 237.303 2.154 20 0 BEADMN C[C@@H]1CC[C@H]1N[C@H](CO)c1c(F)cccc1F ZINC000783252357 582953893 /nfs/dbraw/zinc/95/38/93/582953893.db2.gz PGEUHEXHEAFCIU-GGZOMVNGSA-N 0 1 241.281 2.386 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1nnc(C2CC2)s1 ZINC000840892292 582969008 /nfs/dbraw/zinc/96/90/08/582969008.db2.gz XJUBXAQJNUALCG-VXNVDRBHSA-N 0 1 223.345 2.304 20 0 BEADMN c1c(CN2CC[C@H]3C[C@H]32)onc1C1CC1 ZINC000851877499 582975393 /nfs/dbraw/zinc/97/53/93/582975393.db2.gz JLKIGUIKPMIFJK-JOYOIKCWSA-N 0 1 204.273 2.146 20 0 BEADMN Fc1ccc2nc(NCCN3CCC3)oc2c1 ZINC000892952740 583017757 /nfs/dbraw/zinc/01/77/57/583017757.db2.gz JEZRZLORBBWCQF-UHFFFAOYSA-N 0 1 235.262 2.085 20 0 BEADMN C[C@@H](OC(=O)C1C(C)(C)C1(C)C)c1nnc[nH]1 ZINC000853219942 583031950 /nfs/dbraw/zinc/03/19/50/583031950.db2.gz IZYURIJSUCNWON-SSDOTTSWSA-N 0 1 237.303 2.091 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](C(C)(C)C)C2)n1 ZINC000893144936 583057006 /nfs/dbraw/zinc/05/70/06/583057006.db2.gz CSYYQPVCVSHDIX-SNVBAGLBSA-N 0 1 234.347 2.240 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](C)C(C)(C)C2)n1 ZINC000893181437 583065339 /nfs/dbraw/zinc/06/53/39/583065339.db2.gz IQELJGDTMIPUMZ-SECBINFHSA-N 0 1 234.347 2.240 20 0 BEADMN CC[C@@H](NCc1nccn1C1CC1)[C@@H]1CCCO1 ZINC000893256995 583079488 /nfs/dbraw/zinc/07/94/88/583079488.db2.gz XDHMEQOQCJFGGC-OLZOCXBDSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NOCC1CCC1 ZINC000856341613 588868158 /nfs/dbraw/zinc/86/81/58/588868158.db2.gz GZMOBFQDOLNUNA-GHMZBOCLSA-N 0 1 241.331 2.038 20 0 BEADMN Cn1cc(CN[C@H]2CC23CCCC3)c(Cl)n1 ZINC000856781405 588877515 /nfs/dbraw/zinc/87/75/15/588877515.db2.gz SWOVNEAOAONCEL-JTQLQIEISA-N 0 1 239.750 2.496 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCCC2(F)F)CN1C1CC1 ZINC000398082544 583119552 /nfs/dbraw/zinc/11/95/52/583119552.db2.gz HFRLNQXUDBUBLZ-FOGDFJRCSA-N 0 1 244.329 2.389 20 0 BEADMN C[C@@H]1C[C@H](NCc2cn(C)nc2Cl)CS1 ZINC000856790577 588878362 /nfs/dbraw/zinc/87/83/62/588878362.db2.gz FRJAGYNGDWTKTN-APPZFPTMSA-N 0 1 245.779 2.057 20 0 BEADMN Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000223838058 583182058 /nfs/dbraw/zinc/18/20/58/583182058.db2.gz MXWDPCRIXLACII-JSGCOSHPSA-N 0 1 247.338 2.456 20 0 BEADMN Cn1cc(CN2CCC(C)(C)C2)c(Cl)n1 ZINC000857020747 588882484 /nfs/dbraw/zinc/88/24/84/588882484.db2.gz CVIJVKNFWQMOFF-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN CSc1ccc(C[N@H+]2CCC[C@@H](CO)C2)o1 ZINC000893863064 583233678 /nfs/dbraw/zinc/23/36/78/583233678.db2.gz BLXKIBRPMOERLN-SNVBAGLBSA-N 0 1 241.356 2.206 20 0 BEADMN CSc1ccc(CN2CCC[C@@H](CO)C2)o1 ZINC000893863064 583233679 /nfs/dbraw/zinc/23/36/79/583233679.db2.gz BLXKIBRPMOERLN-SNVBAGLBSA-N 0 1 241.356 2.206 20 0 BEADMN Cc1cnc(CNC2CC3(C2)CO[C@@H](C)C3)o1 ZINC000893858162 583233828 /nfs/dbraw/zinc/23/38/28/583233828.db2.gz QHUMQJGXHGKDCM-FJJSSXBZSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2cccc(O)c2)c1C ZINC000893863775 583234143 /nfs/dbraw/zinc/23/41/43/583234143.db2.gz NVFURGRXVZEPIC-UHFFFAOYSA-N 0 1 245.326 2.364 20 0 BEADMN Cc1[nH]nc(CN2CCn3cccc3[C@H]2C)c1C ZINC000893879134 583239547 /nfs/dbraw/zinc/23/95/47/583239547.db2.gz CPJRSFDDTLPGPO-GFCCVEGCSA-N 0 1 244.342 2.405 20 0 BEADMN Cc1ncoc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000893978946 583266369 /nfs/dbraw/zinc/26/63/69/583266369.db2.gz ZCXVKMAINZLKAM-RKDXNWHRSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1ncoc1CN1CCC[C@H](n2ccnc2)C1 ZINC000893994430 583268179 /nfs/dbraw/zinc/26/81/79/583268179.db2.gz LUFPAIXEOVZFAL-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1[nH]nc(CN(CC(F)F)C2CC2)c1C ZINC000894015107 583275849 /nfs/dbraw/zinc/27/58/49/583275849.db2.gz YPXJXHAQGJPQKG-UHFFFAOYSA-N 0 1 229.274 2.256 20 0 BEADMN COCC1(C(=O)NOCC(C)C)CCCCC1 ZINC000857161645 588890772 /nfs/dbraw/zinc/89/07/72/588890772.db2.gz VAQBLUVSBYVYTC-UHFFFAOYSA-N 0 1 243.347 2.287 20 0 BEADMN Cc1[nH]nc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C ZINC000894088127 583298393 /nfs/dbraw/zinc/29/83/93/583298393.db2.gz ICWNJGDAXZZPSO-JSGCOSHPSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1[nH]nc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1C ZINC000894088127 583298395 /nfs/dbraw/zinc/29/83/95/583298395.db2.gz ICWNJGDAXZZPSO-JSGCOSHPSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@H]3COCC[C@@H]32)c1C ZINC000894088127 583298398 /nfs/dbraw/zinc/29/83/98/583298398.db2.gz ICWNJGDAXZZPSO-JSGCOSHPSA-N 0 1 249.358 2.027 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(c2nc(C)cc(N)n2)C1 ZINC000894113337 583309604 /nfs/dbraw/zinc/30/96/04/583309604.db2.gz HMJJXIFETUJNBQ-WDEREUQCSA-N 0 1 234.347 2.382 20 0 BEADMN Cc1ccnc(N)c1CNCc1ccsc1 ZINC000894138055 583315395 /nfs/dbraw/zinc/31/53/95/583315395.db2.gz WJYJRTUVLZQZLW-UHFFFAOYSA-N 0 1 233.340 2.324 20 0 BEADMN Cc1ncoc1CNCCSC(F)(F)F ZINC000894185050 583332719 /nfs/dbraw/zinc/33/27/19/583332719.db2.gz GNSMXGLQBTXTBT-UHFFFAOYSA-N 0 1 240.250 2.326 20 0 BEADMN c1[nH]nnc1CCOCC1CCC2(CC2)CC1 ZINC000877882992 583352355 /nfs/dbraw/zinc/35/23/55/583352355.db2.gz IUDCDZHKLCCYBS-UHFFFAOYSA-N 0 1 235.331 2.334 20 0 BEADMN Cc1nn(C(C)C)c(C)c1CNCCF ZINC000894219775 583381107 /nfs/dbraw/zinc/38/11/07/583381107.db2.gz HQXCKUROMNWMKI-UHFFFAOYSA-N 0 1 213.300 2.140 20 0 BEADMN CC(C)c1cc(CN[C@H]2COCC2(C)C)on1 ZINC000894255522 583394487 /nfs/dbraw/zinc/39/44/87/583394487.db2.gz FCGYCEYAJZRBPQ-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN CC[C@H](NCc1nocc1C)[C@H]1CCCCO1 ZINC000878847062 583407075 /nfs/dbraw/zinc/40/70/75/583407075.db2.gz PBPQUESRIYZUIT-WCQYABFASA-N 0 1 238.331 2.420 20 0 BEADMN CC[C@H](C)N(Cc1ccccc1)CN1CCC1=O ZINC000857232021 588897814 /nfs/dbraw/zinc/89/78/14/588897814.db2.gz YHWPXMDURWTVMB-ZDUSSCGKSA-N 0 1 246.354 2.477 20 0 BEADMN COc1cccc2c1CC[C@H]2NCc1c[nH]cn1 ZINC000894341840 583428787 /nfs/dbraw/zinc/42/87/87/583428787.db2.gz FMYSCYCKGPAYLG-CYBMUJFWSA-N 0 1 243.310 2.195 20 0 BEADMN Cc1cc(N)nc(N(C)CCC(C)(C)C)n1 ZINC000894350674 583432934 /nfs/dbraw/zinc/43/29/34/583432934.db2.gz RTHZNNCSRWUCHS-UHFFFAOYSA-N 0 1 222.336 2.240 20 0 BEADMN Cc1ncoc1CN[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000894365814 583438759 /nfs/dbraw/zinc/43/87/59/583438759.db2.gz AJLGDMCONHSUCV-SECBINFHSA-N 0 1 249.318 2.075 20 0 BEADMN CCC[C@]1(C)CCCN(CN2CCC2=O)C1 ZINC000857234357 588898996 /nfs/dbraw/zinc/89/89/96/588898996.db2.gz JFJIUYWEKNXKJO-CYBMUJFWSA-N 0 1 224.348 2.078 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnn(C2CCC2)c1 ZINC000894435177 583458973 /nfs/dbraw/zinc/45/89/73/583458973.db2.gz LUEBQKJOWRNQGQ-LLVKDONJSA-N 0 1 237.347 2.075 20 0 BEADMN CN(C)CC[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894449809 583459975 /nfs/dbraw/zinc/45/99/75/583459975.db2.gz QLLSUXMUHRFQRM-UHFFFAOYSA-N 0 1 248.370 2.005 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1C ZINC000894532709 583478389 /nfs/dbraw/zinc/47/83/89/583478389.db2.gz DVQZDDLCJOAQBG-XXILOJSOSA-N 0 1 237.347 2.024 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(c2nc(C)cc(N)n2)C1 ZINC000894577655 583487812 /nfs/dbraw/zinc/48/78/12/583487812.db2.gz HMJJXIFETUJNBQ-GHMZBOCLSA-N 0 1 234.347 2.382 20 0 BEADMN CN(Cc1ncc[nH]1)CC1(C)CCCC1 ZINC000894586903 583489743 /nfs/dbraw/zinc/48/97/43/583489743.db2.gz LKXXGIQXECNVNN-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1ccc2oc(=O)oc2c1 ZINC000894601460 583491147 /nfs/dbraw/zinc/49/11/47/583491147.db2.gz SBHUPMAAUVXCNZ-RKDXNWHRSA-N 0 1 233.267 2.369 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@@H](C3CCC3)C2)n1 ZINC000894607422 583492126 /nfs/dbraw/zinc/49/21/26/583492126.db2.gz QYCXWHHUOWKHMV-GFCCVEGCSA-N 0 1 246.358 2.384 20 0 BEADMN CCn1cc(CN2C[C@@H](C)[C@@H]2C)c(C)n1 ZINC000894627813 583495167 /nfs/dbraw/zinc/49/51/67/583495167.db2.gz KVNWOLQLGNLZRB-KOLCDFICSA-N 0 1 207.321 2.052 20 0 BEADMN CC(C)c1nnc(CNCC[C@H](C)F)s1 ZINC000894623132 583496319 /nfs/dbraw/zinc/49/63/19/583496319.db2.gz DXOQPXBXWHQLFK-QMMMGPOBSA-N 0 1 231.340 2.499 20 0 BEADMN CC(C)c1nc(CN2CCC[C@@H](CF)C2)n[nH]1 ZINC000880237671 583506100 /nfs/dbraw/zinc/50/61/00/583506100.db2.gz FHPRPSHKVNBCGT-JTQLQIEISA-N 0 1 240.326 2.110 20 0 BEADMN CCC1(NCc2nnc(C3CC3)s2)CC1 ZINC000894682667 583506112 /nfs/dbraw/zinc/50/61/12/583506112.db2.gz DLCCEUVDXYWZMA-UHFFFAOYSA-N 0 1 223.345 2.448 20 0 BEADMN CSc1ccc(CN(C)C[C@H](O)C2CC2)o1 ZINC000894777936 583519314 /nfs/dbraw/zinc/51/93/14/583519314.db2.gz XCGDVPZYAOCTFG-NSHDSACASA-N 0 1 241.356 2.204 20 0 BEADMN Cc1nnc([C@@H](C)NC2CC3(CCC3)C2)[nH]1 ZINC000894778258 583519829 /nfs/dbraw/zinc/51/98/29/583519829.db2.gz OWKHHXRZAJGUIT-MRVPVSSYSA-N 0 1 220.320 2.096 20 0 BEADMN C[C@H]1Oc2ccccc2[C@H]1NCc1cnc[nH]1 ZINC000894786376 583521810 /nfs/dbraw/zinc/52/18/10/583521810.db2.gz HDOREMZZZKJRDR-RNCFNFMXSA-N 0 1 229.283 2.022 20 0 BEADMN CCC1(CC)CN(Cc2cnn(CCF)c2)C1 ZINC000894819723 583524881 /nfs/dbraw/zinc/52/48/81/583524881.db2.gz PLOBOEOGQYYNJA-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN CSc1ccc(CN2CC[C@H](O)C2(C)C)o1 ZINC000894816825 583525424 /nfs/dbraw/zinc/52/54/24/583525424.db2.gz WRBVAYFFFWZKAX-JTQLQIEISA-N 0 1 241.356 2.347 20 0 BEADMN COCC1(C)CN(Cc2cccc3c2OCC3)C1 ZINC000894839284 583529288 /nfs/dbraw/zinc/52/92/88/583529288.db2.gz CTUDJOVGLNSSTO-UHFFFAOYSA-N 0 1 247.338 2.090 20 0 BEADMN C[C@H]1CN(Cc2c3c(nn2C)CCCC3)[C@H]1C ZINC000894861167 583534144 /nfs/dbraw/zinc/53/41/44/583534144.db2.gz AEVILLNAIKKWNT-QWRGUYRKSA-N 0 1 233.359 2.139 20 0 BEADMN C[C@H]1CN(Cc2ccc3c(n2)CCC3)[C@H]1C ZINC000894860622 583534186 /nfs/dbraw/zinc/53/41/86/583534186.db2.gz QDMPMRGFWHTNFE-QWRGUYRKSA-N 0 1 216.328 2.411 20 0 BEADMN COCCc1ncc(CN2C[C@H](C)[C@@H]2C)s1 ZINC000894862195 583535003 /nfs/dbraw/zinc/53/50/03/583535003.db2.gz SZXTVBRIKQVOHY-UWVGGRQHSA-N 0 1 240.372 2.172 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1cc(C)co1 ZINC000894865477 583536831 /nfs/dbraw/zinc/53/68/31/583536831.db2.gz VATVUUWMKVIIBN-LBPRGKRZSA-N 0 1 222.332 2.114 20 0 BEADMN CC(C)Oc1ccccc1CN1CC=C[C@@H]1CO ZINC000880486224 583544122 /nfs/dbraw/zinc/54/41/22/583544122.db2.gz MHKSNQZUCFFCJU-CQSZACIVSA-N 0 1 247.338 2.207 20 0 BEADMN CO[C@@](C)(CN1CC(C(F)(F)F)C1)C1CC1 ZINC000894892132 583548743 /nfs/dbraw/zinc/54/87/43/583548743.db2.gz YHFVHAFBZISHSF-JTQLQIEISA-N 0 1 237.265 2.296 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1Cc2ccccc2[C@H](C)C1 ZINC000726955925 583550964 /nfs/dbraw/zinc/55/09/64/583550964.db2.gz XBWONEKSQFXQKN-NEPJUHHUSA-N 0 1 246.354 2.082 20 0 BEADMN CC(C)(C)c1ccncc1CNCc1cnc[nH]1 ZINC000894991737 583563885 /nfs/dbraw/zinc/56/38/85/583563885.db2.gz FIDOISOJKDBPEG-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN Cc1coc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000894986598 583565388 /nfs/dbraw/zinc/56/53/88/583565388.db2.gz YGBZWEDWRFZYNG-YPMHNXCESA-N 0 1 221.300 2.199 20 0 BEADMN Cc1[nH]nc(CN2CCOC[C@H]2C2CCC2)c1C ZINC000895085635 583583926 /nfs/dbraw/zinc/58/39/26/583583926.db2.gz NTSXWJFEKICUJV-AWEZNQCLSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1nc(C)c(CN(C(C)C)[C@H]2CCOC2)o1 ZINC000643388214 583585079 /nfs/dbraw/zinc/58/50/79/583585079.db2.gz RRNRJBPRURORSQ-LBPRGKRZSA-N 0 1 238.331 2.291 20 0 BEADMN Fc1cccnc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000857857587 588913929 /nfs/dbraw/zinc/91/39/29/588913929.db2.gz FVWOENKFGKHOMH-LLVKDONJSA-N 0 1 246.289 2.111 20 0 BEADMN CN1CCN(c2nccs2)C[C@H]1C(C)(C)C ZINC000895101334 583588812 /nfs/dbraw/zinc/58/88/12/583588812.db2.gz JBRUMJHLHGVOIA-JTQLQIEISA-N 0 1 239.388 2.310 20 0 BEADMN CCn1cc(N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000857858783 588914449 /nfs/dbraw/zinc/91/44/49/588914449.db2.gz AXCRACBNTPLEPJ-NSHDSACASA-N 0 1 231.303 2.116 20 0 BEADMN c1[nH]nc2c1CCC[C@@H]2NCCOCC1CCC1 ZINC000857866934 588916235 /nfs/dbraw/zinc/91/62/35/588916235.db2.gz VNGMCCUDPNYNNC-ZDUSSCGKSA-N 0 1 249.358 2.193 20 0 BEADMN O=c1cc[nH]c2cc(CNCC3(F)CC3)ccc12 ZINC000895204143 583625095 /nfs/dbraw/zinc/62/50/95/583625095.db2.gz GOSNJRJRHUQXBL-UHFFFAOYSA-N 0 1 246.285 2.120 20 0 BEADMN CCN(CC(=O)NC1CCC=CCC1)C1CC1 ZINC000895213004 583627856 /nfs/dbraw/zinc/62/78/56/583627856.db2.gz SBQIJIIWTKMCLC-UHFFFAOYSA-N 0 1 236.359 2.086 20 0 BEADMN CC[C@@H]1COCCN1CCc1cccs1 ZINC000115573742 588910955 /nfs/dbraw/zinc/91/09/55/588910955.db2.gz PRZUFZUNDKIUBA-LLVKDONJSA-N 0 1 225.357 2.401 20 0 BEADMN Cc1n[nH]c(CN2CC[C@@H](C)O[C@@H](C)C2)c1C ZINC000895279093 583636180 /nfs/dbraw/zinc/63/61/80/583636180.db2.gz FCRYKUUKTWXUJW-ZJUUUORDSA-N 0 1 237.347 2.026 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@@H]3C[C@@H]3C2)n1 ZINC000895326335 583651164 /nfs/dbraw/zinc/65/11/64/583651164.db2.gz BGXFCSFVAQYRKP-GHMZBOCLSA-N 0 1 219.332 2.375 20 0 BEADMN COc1ccc(CN(C)CC2=CCCOC2)o1 ZINC000895369773 583660958 /nfs/dbraw/zinc/66/09/58/583660958.db2.gz BIAMOJCKWQZVBD-UHFFFAOYSA-N 0 1 237.299 2.067 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCCCCC1 ZINC000895428387 583668362 /nfs/dbraw/zinc/66/83/62/583668362.db2.gz RBTCTUBJUARRFF-GFCCVEGCSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N1CCCCCC1 ZINC000895428388 583668584 /nfs/dbraw/zinc/66/85/84/583668584.db2.gz RBTCTUBJUARRFF-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN CC1(C)CN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895456074 583677129 /nfs/dbraw/zinc/67/71/29/583677129.db2.gz BBSWXNBBRVYMCU-UHFFFAOYSA-N 0 1 231.299 2.110 20 0 BEADMN CN(C(=O)[C@@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000895501129 583681626 /nfs/dbraw/zinc/68/16/26/583681626.db2.gz RKKQVIPOKBTKDU-LBPRGKRZSA-N 0 1 238.375 2.260 20 0 BEADMN FC[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000895545005 583689431 /nfs/dbraw/zinc/68/94/31/583689431.db2.gz QWYMSICKLYJEHY-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN CN1CCN(Cc2ccc(Cl)o2)CC1(C)C ZINC000895567187 583693800 /nfs/dbraw/zinc/69/38/00/583693800.db2.gz FUXAJTYJJHFQHP-UHFFFAOYSA-N 0 1 242.750 2.459 20 0 BEADMN CC(C)CCCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895648167 583699487 /nfs/dbraw/zinc/69/94/87/583699487.db2.gz SUSMLKNVZSQRIZ-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN c1cnc(CN2CCC3(CCCCO3)CC2)cn1 ZINC000895654714 583701155 /nfs/dbraw/zinc/70/11/55/583701155.db2.gz XNPVNAPCDVYGFM-UHFFFAOYSA-N 0 1 247.342 2.012 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCC2(CCC2)O1 ZINC000895676736 583704688 /nfs/dbraw/zinc/70/46/88/583704688.db2.gz CTXPNBDQNOFDGS-LLVKDONJSA-N 0 1 236.315 2.174 20 0 BEADMN CC1(C)OC[C@H](CN2CC(c3ccccc3)C2)O1 ZINC000895693354 583707792 /nfs/dbraw/zinc/70/77/92/583707792.db2.gz AZRFDXBUYILXCJ-AWEZNQCLSA-N 0 1 247.338 2.237 20 0 BEADMN CC(C)(F)CNCc1cn2ccnc2s1 ZINC000895692706 583707933 /nfs/dbraw/zinc/70/79/33/583707933.db2.gz YJIUJJXTDXIBSE-UHFFFAOYSA-N 0 1 227.308 2.234 20 0 BEADMN CSC1(CN[C@@H](C)c2ncco2)CC1 ZINC000895766580 583719041 /nfs/dbraw/zinc/71/90/41/583719041.db2.gz SRMLJIIAIQWNKG-QMMMGPOBSA-N 0 1 212.318 2.221 20 0 BEADMN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ncco1 ZINC000895766370 583719473 /nfs/dbraw/zinc/71/94/73/583719473.db2.gz SGECZROOZNSUTI-ZDCRXTMVSA-N 0 1 236.315 2.139 20 0 BEADMN C[C@@H](NCC1CCSCC1)c1ncco1 ZINC000895765537 583723639 /nfs/dbraw/zinc/72/36/39/583723639.db2.gz OMXUZEGSLHKRTI-SECBINFHSA-N 0 1 226.345 2.468 20 0 BEADMN C[N@H+]1CC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000895770733 583725014 /nfs/dbraw/zinc/72/50/14/583725014.db2.gz DHUKIXHJXISTGH-NSHDSACASA-N 0 1 245.301 2.490 20 0 BEADMN CC(C)n1cc(CN(C)CCCF)cn1 ZINC000895898588 583741183 /nfs/dbraw/zinc/74/11/83/583741183.db2.gz YNRPCECUEPZIKB-UHFFFAOYSA-N 0 1 213.300 2.255 20 0 BEADMN CCCn1nccc1CN(C)CCCF ZINC000895895638 583743107 /nfs/dbraw/zinc/74/31/07/583743107.db2.gz BKJDLPNHMOORKV-UHFFFAOYSA-N 0 1 213.300 2.085 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2ccc(F)nc2)C1 ZINC000895926002 583747611 /nfs/dbraw/zinc/74/76/11/583747611.db2.gz ASZYXZDAVVEJTJ-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1ncc2n1C[C@H](c1nc(C(C)C)no1)CC2 ZINC000895951606 583751820 /nfs/dbraw/zinc/75/18/20/583751820.db2.gz DIBKSBHEPKXHKM-SNVBAGLBSA-N 0 1 246.314 2.428 20 0 BEADMN CC[C@H]1C[C@@H](CN2CC(OC(C)C)C2)CCO1 ZINC000895955930 583752875 /nfs/dbraw/zinc/75/28/75/583752875.db2.gz ZAFYJZSSZOLYNW-STQMWFEESA-N 0 1 241.375 2.301 20 0 BEADMN COCC1CN(C/C=C\c2cccc(F)c2)C1 ZINC000895976251 583753169 /nfs/dbraw/zinc/75/31/69/583753169.db2.gz MUEFDCVYHMNISB-HYXAFXHYSA-N 0 1 235.302 2.417 20 0 BEADMN COCC1CN(Cc2ccc(CC(C)C)nc2)C1 ZINC000895975930 583753445 /nfs/dbraw/zinc/75/34/45/583753445.db2.gz JTHCEAKSNDVDBU-UHFFFAOYSA-N 0 1 248.370 2.358 20 0 BEADMN COCC1CN(Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000895976257 583753455 /nfs/dbraw/zinc/75/34/55/583753455.db2.gz MXXUZBUFTHUQED-LLVKDONJSA-N 0 1 247.338 2.088 20 0 BEADMN CC[C@H](CN1CCO[C@H](OC)C1)c1ccccc1 ZINC000895968091 583754394 /nfs/dbraw/zinc/75/43/94/583754394.db2.gz HBBOJXCAXFMCQB-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN CO[C@@H]1CN(C[C@H]2CC(C)=C[C@H](C)C2)CCO1 ZINC000895968127 583754438 /nfs/dbraw/zinc/75/44/38/583754438.db2.gz HXOZTXMODWWKGA-YUTCNCBUSA-N 0 1 239.359 2.284 20 0 BEADMN COCC1CN(C/C=C\c2ccccc2OC)C1 ZINC000895971204 583756032 /nfs/dbraw/zinc/75/60/32/583756032.db2.gz ODWQZODKDFOMKA-ALCCZGGFSA-N 0 1 247.338 2.287 20 0 BEADMN COCC1CN(C/C=C\c2ccccc2)C1 ZINC000895971196 583756413 /nfs/dbraw/zinc/75/64/13/583756413.db2.gz NOVOCYBAAWJTOK-YVMONPNESA-N 0 1 217.312 2.278 20 0 BEADMN COCC1CN(CC2=Cc3ccccc3OC2)C1 ZINC000895971554 583756473 /nfs/dbraw/zinc/75/64/73/583756473.db2.gz SSIQOTIPNAXIPF-UHFFFAOYSA-N 0 1 245.322 2.041 20 0 BEADMN COCC1CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000895972400 583756978 /nfs/dbraw/zinc/75/69/78/583756978.db2.gz XPSKIZUXLLBGCO-GXFFZTMASA-N 0 1 235.327 2.481 20 0 BEADMN C[C@H](CNC(=O)C=C1CCCC1)[N@@H+](C)C1CC1 ZINC000727742495 583759591 /nfs/dbraw/zinc/75/95/91/583759591.db2.gz UOKKOXNRMHXJFN-LLVKDONJSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1oc(C(C)(C)C)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000896022505 583764576 /nfs/dbraw/zinc/76/45/76/583764576.db2.gz UEKBKFABELJGAV-IUODEOHRSA-N 0 1 249.354 2.452 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000896187683 583781459 /nfs/dbraw/zinc/78/14/59/583781459.db2.gz RVZLNKFFDFPNKC-UTUOFQBUSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896289729 583789298 /nfs/dbraw/zinc/78/92/98/583789298.db2.gz FISRTDDZVYFMAH-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCN(CC1CC1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896312111 583790624 /nfs/dbraw/zinc/79/06/24/583790624.db2.gz LTKCCDVSDHKQCK-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](C)C1 ZINC000896337650 583792975 /nfs/dbraw/zinc/79/29/75/583792975.db2.gz WKCKTEDXVMDITG-YVECIDJPSA-N 0 1 238.375 2.022 20 0 BEADMN Cn1ccc([C@@H]2CCCN(CC3(F)CC3)C2)n1 ZINC000896487759 583804306 /nfs/dbraw/zinc/80/43/06/583804306.db2.gz CHXGCXIYCORIPJ-LLVKDONJSA-N 0 1 237.322 2.102 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000896523095 583809005 /nfs/dbraw/zinc/80/90/05/583809005.db2.gz XFTQZWCCHUCZIX-WOPDTQHZSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@]1(CNCc2nccn2C2CC2)CCCCO1 ZINC000896924713 583857798 /nfs/dbraw/zinc/85/77/98/583857798.db2.gz SUBHFEOFGLWXJL-AWEZNQCLSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1ccc(CN2CCC(F)(C3CC3)CC2)nn1 ZINC000896946525 583863598 /nfs/dbraw/zinc/86/35/98/583863598.db2.gz VPALXRWLXMQUGZ-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc(F)nc2C)C1 ZINC000897067553 583877081 /nfs/dbraw/zinc/87/70/81/583877081.db2.gz LCWOITLOKHXPKY-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Cn1nc(CNC[C@@H]2CCC=CO2)cc1C1CC1 ZINC000897232096 583898863 /nfs/dbraw/zinc/89/88/63/583898863.db2.gz MXOVSLHBBBGHRB-ZDUSSCGKSA-N 0 1 247.342 2.080 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc[nH]1 ZINC000897246396 583903233 /nfs/dbraw/zinc/90/32/33/583903233.db2.gz HPAVBGKXXIROBQ-ZYHUDNBSSA-N 0 1 249.358 2.065 20 0 BEADMN C(N[C@H]1CC[C@@H]1C1CC1)c1noc2c1COCC2 ZINC000897365234 583942708 /nfs/dbraw/zinc/94/27/08/583942708.db2.gz CHLDPMQKDRAKMV-PWSUYJOCSA-N 0 1 248.326 2.026 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cccc(O)c1F ZINC000872082673 583945585 /nfs/dbraw/zinc/94/55/85/583945585.db2.gz ZLYIZBQBHWQAKV-KXUCPTDWSA-N 0 1 239.290 2.359 20 0 BEADMN FC1(CNCc2cnn(CC3CCC3)c2)CC1 ZINC000897431391 583973587 /nfs/dbraw/zinc/97/35/87/583973587.db2.gz DTIGRSFWNSKKAF-UHFFFAOYSA-N 0 1 237.322 2.275 20 0 BEADMN COc1cncc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000865752731 584029117 /nfs/dbraw/zinc/02/91/17/584029117.db2.gz BGZQFSJJZCQTOM-NXEZZACHSA-N 0 1 246.232 2.131 20 0 BEADMN CC[C@H]1CN(CC)CCN1c1nccs1 ZINC000729922401 584029818 /nfs/dbraw/zinc/02/98/18/584029818.db2.gz ZWQBKOIRUGHPRW-JTQLQIEISA-N 0 1 225.361 2.064 20 0 BEADMN CC1=CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000897640535 584034936 /nfs/dbraw/zinc/03/49/36/584034936.db2.gz PJJLXIPDAGXELU-LBPRGKRZSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@H]1CN(Cc2cscc2Cl)C[C@H]1O ZINC000897681132 584039480 /nfs/dbraw/zinc/03/94/80/584039480.db2.gz PJTGSYBTVJDOEB-OIBJUYFYSA-N 0 1 231.748 2.214 20 0 BEADMN CCc1nc(OC)ccc1NCc1cn[nH]c1C ZINC000897711779 584042069 /nfs/dbraw/zinc/04/20/69/584042069.db2.gz RHSQPUATQKLCHR-UHFFFAOYSA-N 0 1 246.314 2.296 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000897958810 584066799 /nfs/dbraw/zinc/06/67/99/584066799.db2.gz NVAODWOQYUCDFF-GMTAPVOTSA-N 0 1 206.289 2.261 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2cn(C)cn2)CS1 ZINC000898043655 584081257 /nfs/dbraw/zinc/08/12/57/584081257.db2.gz XCTTZUOWOXEOCV-PWSUYJOCSA-N 0 1 239.388 2.040 20 0 BEADMN CCON(C(=O)[C@@H]1CCN1C(C)(C)C)C(C)C ZINC000898090677 584081818 /nfs/dbraw/zinc/08/18/18/584081818.db2.gz REAVTVSNXMRBEW-NSHDSACASA-N 0 1 242.363 2.048 20 0 BEADMN Cn1ncc(CN2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC000898071249 584082741 /nfs/dbraw/zinc/08/27/41/584082741.db2.gz SFDORRCEEDKGPQ-AOOOYVTPSA-N 0 1 239.750 2.305 20 0 BEADMN O[C@H]1CCN(Cc2cccc3cc[nH]c32)C[C@H]1F ZINC000898192853 584095675 /nfs/dbraw/zinc/09/56/75/584095675.db2.gz MGMNIHDMWJSWEI-OLZOCXBDSA-N 0 1 248.301 2.073 20 0 BEADMN c1cc([C@H](NCc2cncnc2)C2CC2)ccn1 ZINC000898325175 584107390 /nfs/dbraw/zinc/10/73/90/584107390.db2.gz NKMQWFBCWYKSHE-CQSZACIVSA-N 0 1 240.310 2.113 20 0 BEADMN C[C@@H]1CN(c2nc(Cl)cs2)[C@H](C)CN1C ZINC000858464369 588957564 /nfs/dbraw/zinc/95/75/64/588957564.db2.gz LDXZIIPCJPUNKH-HTQZYQBOSA-N 0 1 245.779 2.325 20 0 BEADMN Cl/C=C/CN[C@@H]1CCc2cccnc21 ZINC000898424037 584131955 /nfs/dbraw/zinc/13/19/55/584131955.db2.gz AMXANFICDHVEQS-GCEAOBNSSA-N 0 1 208.692 2.411 20 0 BEADMN Cl/C=C/CNCc1cnn(C2CCC2)c1 ZINC000898426795 584132012 /nfs/dbraw/zinc/13/20/12/584132012.db2.gz HQAYGQKPFONRGO-GORDUTHDSA-N 0 1 225.723 2.450 20 0 BEADMN Cl/C=C/CNCc1ccnn1CC1CC1 ZINC000898427300 584132118 /nfs/dbraw/zinc/13/21/18/584132118.db2.gz CPOFFQLOKCALJL-ORCRQEGFSA-N 0 1 225.723 2.135 20 0 BEADMN Cl/C=C\CNCc1ccc2c(n1)CCC2 ZINC000898428915 584132907 /nfs/dbraw/zinc/13/29/07/584132907.db2.gz KQWMABRFHSSZSY-UQCOIBPSSA-N 0 1 222.719 2.412 20 0 BEADMN Cc1cc(F)ncc1CNC/C=C/Cl ZINC000898428932 584133302 /nfs/dbraw/zinc/13/33/02/584133302.db2.gz PWMZKWUOYRHXTL-NSCUHMNNSA-N 0 1 214.671 2.371 20 0 BEADMN Cc1c(F)nccc1CNC/C=C\Cl ZINC000898429974 584134349 /nfs/dbraw/zinc/13/43/49/584134349.db2.gz RLXHGJKRWNZCOP-RQOWECAXSA-N 0 1 214.671 2.371 20 0 BEADMN CCOC(=O)c1ccc(CNC/C=C\Cl)[nH]1 ZINC000898430140 584134563 /nfs/dbraw/zinc/13/45/63/584134563.db2.gz VKLKOCJCNURKHZ-UTCJRWHESA-N 0 1 242.706 2.034 20 0 BEADMN CC(=O)Nc1cccc(CNC/C=C/Cl)c1 ZINC000898430186 584134740 /nfs/dbraw/zinc/13/47/40/584134740.db2.gz WJBHQMPSZRHHOP-ZZXKWVIFSA-N 0 1 238.718 2.487 20 0 BEADMN CCC[C@H](CC)C(=O)N1CC(N2CCCC2)C1 ZINC000898598678 584144516 /nfs/dbraw/zinc/14/45/16/584144516.db2.gz UAASDOSNNJGKBI-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(C1CCCCC1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899099604 584176216 /nfs/dbraw/zinc/17/62/16/584176216.db2.gz LOQRHOSXPQTADH-NSHDSACASA-N 0 1 248.330 2.049 20 0 BEADMN O=c1cc(C2CCOCC2)[nH]n1-c1ccccc1 ZINC000899346135 584198449 /nfs/dbraw/zinc/19/84/49/584198449.db2.gz COXLVCOMRKKFPZ-UHFFFAOYSA-N 0 1 244.294 2.206 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1CCc1ccccn1 ZINC000899352557 584200577 /nfs/dbraw/zinc/20/05/77/584200577.db2.gz KLWYXNFBBYQKLK-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1cc(F)ccc1F ZINC000899361738 584206787 /nfs/dbraw/zinc/20/67/87/584206787.db2.gz CEECJNAOUNOEGG-QMMMGPOBSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1cc(F)ccc1F)CCC2 ZINC000899361738 584206788 /nfs/dbraw/zinc/20/67/88/584206788.db2.gz CEECJNAOUNOEGG-QMMMGPOBSA-N 0 1 236.221 2.468 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccc(F)c(F)c1 ZINC000899359876 584207074 /nfs/dbraw/zinc/20/70/74/584207074.db2.gz BREDCLNXPYPRLF-QMMMGPOBSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1ccc(F)c(F)c1)CCC2 ZINC000899359876 584207077 /nfs/dbraw/zinc/20/70/77/584207077.db2.gz BREDCLNXPYPRLF-QMMMGPOBSA-N 0 1 236.221 2.468 20 0 BEADMN Fc1ccccc1-n1cc([C@H]2CCCCN2)nn1 ZINC000899682875 584224566 /nfs/dbraw/zinc/22/45/66/584224566.db2.gz SRYFFGSXEWMZPG-LLVKDONJSA-N 0 1 246.289 2.221 20 0 BEADMN c1c([C@@H]2CCCCN2)nnn1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000899731225 584231164 /nfs/dbraw/zinc/23/11/64/584231164.db2.gz VFBPTQJYDJRCLX-RNJOBUHISA-N 0 1 246.358 2.139 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)CCCF ZINC000899815936 584240616 /nfs/dbraw/zinc/24/06/16/584240616.db2.gz JBZHNRLGDIUPFA-UHFFFAOYSA-N 0 1 241.310 2.273 20 0 BEADMN CC1(CCc2nc([C@H]3CCCN3)no2)CC1 ZINC000900009517 584264807 /nfs/dbraw/zinc/26/48/07/584264807.db2.gz HTYWQTORTJBNCV-SECBINFHSA-N 0 1 221.304 2.227 20 0 BEADMN CC1(CCc2nc([C@@H]3CCCN3)no2)CC1 ZINC000900009519 584264949 /nfs/dbraw/zinc/26/49/49/584264949.db2.gz HTYWQTORTJBNCV-VIFPVBQESA-N 0 1 221.304 2.227 20 0 BEADMN C1=CC[C@@H](Cc2nc([C@H]3CCCN3)no2)CC1 ZINC000900009723 584265110 /nfs/dbraw/zinc/26/51/10/584265110.db2.gz JHIHNANGQANRCY-GHMZBOCLSA-N 0 1 233.315 2.393 20 0 BEADMN CN(C(=O)Cc1c[nH]cn1)C1CCCCCC1 ZINC000900098272 584273422 /nfs/dbraw/zinc/27/34/22/584273422.db2.gz XYXUVMGXVAAYKU-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN O=C(Cc1cnc[nH]1)NCCCC1CCCC1 ZINC000900106660 584276619 /nfs/dbraw/zinc/27/66/19/584276619.db2.gz QKAWFZLJBBCZHV-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC000900347517 584296460 /nfs/dbraw/zinc/29/64/60/584296460.db2.gz WCLXNUAGHJWYJD-DTWKUNHWSA-N 0 1 239.294 2.105 20 0 BEADMN CC(C)N(C(=O)c1cc(C(F)F)[nH]n1)C1CC1 ZINC000900552009 584321920 /nfs/dbraw/zinc/32/19/20/584321920.db2.gz DGVPJXXJRBNZLS-UHFFFAOYSA-N 0 1 243.257 2.360 20 0 BEADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900543172 584324372 /nfs/dbraw/zinc/32/43/72/584324372.db2.gz LUSVLCZRNVCAQF-YPMHNXCESA-N 0 1 249.358 2.427 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900566998 584326437 /nfs/dbraw/zinc/32/64/37/584326437.db2.gz TXVKEJCSBMYRFP-QWHCGFSZSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000900697625 584339569 /nfs/dbraw/zinc/33/95/69/584339569.db2.gz GUCVULHKUPCJQN-MRTMQBJTSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000900771789 584349185 /nfs/dbraw/zinc/34/91/85/584349185.db2.gz DFSCOIFZNFUKDV-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC1(C)C ZINC000900787562 584351437 /nfs/dbraw/zinc/35/14/37/584351437.db2.gz NXVQXZWHRYCBCZ-BXKDBHETSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H]1CC(NC(=O)c2[nH]ncc2F)C[C@H](C)C1 ZINC000900796154 584352529 /nfs/dbraw/zinc/35/25/29/584352529.db2.gz WFDVCAYZWCUVKU-HTQZYQBOSA-N 0 1 239.294 2.103 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000900870522 584363895 /nfs/dbraw/zinc/36/38/95/584363895.db2.gz UEONNFVSYXSHFM-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CCC1(CNC(=O)Cc2cnc[nH]2)CCCC1 ZINC000901057660 584379688 /nfs/dbraw/zinc/37/96/88/584379688.db2.gz LIDPKBHNSCMYSA-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CCN1C[C@H](C)N(C(=O)/C=C(/C)Cl)C[C@H]1C ZINC000901267855 584418428 /nfs/dbraw/zinc/41/84/28/584418428.db2.gz BRCWSBUFWSFFKE-KJNJGPFHSA-N 0 1 244.766 2.070 20 0 BEADMN CCN(CC)Cc1cc([C@H]2CCCO2)no1 ZINC000901396904 584439076 /nfs/dbraw/zinc/43/90/76/584439076.db2.gz SAPHFDGRGAIYCM-GFCCVEGCSA-N 0 1 224.304 2.368 20 0 BEADMN CCN(CC)Cc1cc([C@@H]2CCCO2)no1 ZINC000901396905 584439127 /nfs/dbraw/zinc/43/91/27/584439127.db2.gz SAPHFDGRGAIYCM-LBPRGKRZSA-N 0 1 224.304 2.368 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2occc2c1 ZINC000901426282 584442434 /nfs/dbraw/zinc/44/24/34/584442434.db2.gz GJTRBWULLZKITB-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN C[C@H](CCC(F)(F)F)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901452719 584443498 /nfs/dbraw/zinc/44/34/98/584443498.db2.gz JXCMJTYAJNWIEG-HTQZYQBOSA-N 0 1 239.237 2.266 20 0 BEADMN CCc1nnc(SC/C=C(\C)COC)[nH]1 ZINC000901443499 584446397 /nfs/dbraw/zinc/44/63/97/584446397.db2.gz QJVINNCSNYTOTE-VMPITWQZSA-N 0 1 227.333 2.052 20 0 BEADMN CCc1n[nH]c(SC/C=C(\C)COC)n1 ZINC000901443499 584446398 /nfs/dbraw/zinc/44/63/98/584446398.db2.gz QJVINNCSNYTOTE-VMPITWQZSA-N 0 1 227.333 2.052 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000901454807 584449710 /nfs/dbraw/zinc/44/97/10/584449710.db2.gz WDLANRSZKYVAAJ-CYBMUJFWSA-N 0 1 244.294 2.217 20 0 BEADMN Cc1scc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1C ZINC000901491399 584452904 /nfs/dbraw/zinc/45/29/04/584452904.db2.gz QVHOPXUJPLAFGN-JTQLQIEISA-N 0 1 239.340 2.271 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000901553176 584465415 /nfs/dbraw/zinc/46/54/15/584465415.db2.gz TVEDQZRHNYETOZ-SNVBAGLBSA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccns1 ZINC000901592314 584465679 /nfs/dbraw/zinc/46/56/79/584465679.db2.gz DRHJSZWSZHXUGY-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN Cc1cc(C)cc(CC[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000901598170 584468251 /nfs/dbraw/zinc/46/82/51/584468251.db2.gz UIFKJLBDXNQJPI-ZDUSSCGKSA-N 0 1 249.354 2.498 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc2cnccc2o1 ZINC000901601939 584468505 /nfs/dbraw/zinc/46/85/05/584468505.db2.gz OBCIONCNYOJWKD-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CC(C)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901669021 584477800 /nfs/dbraw/zinc/47/78/00/584477800.db2.gz MDGHYAISGIHDPX-UHFFFAOYSA-N 0 1 233.311 2.399 20 0 BEADMN Cc1ccc(CSCCc2c[nH]nn2)o1 ZINC000901672625 584478519 /nfs/dbraw/zinc/47/85/19/584478519.db2.gz PQAFQAWULFYUPM-UHFFFAOYSA-N 0 1 223.301 2.182 20 0 BEADMN Cc1noc(C(C)C)c1NS(=O)(=O)C1CC1 ZINC000901764415 584493711 /nfs/dbraw/zinc/49/37/11/584493711.db2.gz KXGNAZGTQZPWQX-UHFFFAOYSA-N 0 1 244.316 2.011 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1 ZINC000901903810 584505020 /nfs/dbraw/zinc/50/50/20/584505020.db2.gz MYPVUWAHRZPBHC-QWHCGFSZSA-N 0 1 249.310 2.131 20 0 BEADMN CCC[C@H](C)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901900016 584505119 /nfs/dbraw/zinc/50/51/19/584505119.db2.gz KXZNMJLREJXUPL-WCFLWFBJSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1ccoc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901904550 584505256 /nfs/dbraw/zinc/50/52/56/584505256.db2.gz QFMSARWZZUIMHP-NWDGAFQWSA-N 0 1 249.310 2.131 20 0 BEADMN Cc1ccc(CC[N@@H+](CCC(=O)[O-])C2CC2)cc1 ZINC000901971781 584508781 /nfs/dbraw/zinc/50/87/81/584508781.db2.gz KYYJSQVEUYCDQS-UHFFFAOYSA-N 0 1 247.338 2.477 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc2c1CCC2)C1CC1 ZINC000901971607 584509000 /nfs/dbraw/zinc/50/90/00/584509000.db2.gz KVYMNVCTGMPDBF-UHFFFAOYSA-N 0 1 245.322 2.224 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000901975549 584509772 /nfs/dbraw/zinc/50/97/72/584509772.db2.gz QUVMJIDGCLMWEZ-UPHRSURJSA-N 0 1 249.285 2.388 20 0 BEADMN Cc1cnccc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901995120 584511291 /nfs/dbraw/zinc/51/12/91/584511291.db2.gz XMTUTSKZZRWCRP-NSHDSACASA-N 0 1 248.326 2.075 20 0 BEADMN CCC[C@H](C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])OC ZINC000902018541 584513635 /nfs/dbraw/zinc/51/36/35/584513635.db2.gz CGFLUULKTQBXJF-NEPJUHHUSA-N 0 1 245.363 2.233 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000902038842 584515808 /nfs/dbraw/zinc/51/58/08/584515808.db2.gz DOWQZWXANYADJM-NEPJUHHUSA-N 0 1 239.315 2.008 20 0 BEADMN Cn1c(=O)[nH]nc1SCCCC(C)(F)F ZINC000902203428 584537694 /nfs/dbraw/zinc/53/76/94/584537694.db2.gz ZNCSOZANCYAAPJ-UHFFFAOYSA-N 0 1 237.275 2.048 20 0 BEADMN CCCOC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000859010208 588990763 /nfs/dbraw/zinc/99/07/63/588990763.db2.gz CYHBPUYESDNVQI-VXGBXAGGSA-N 0 1 242.363 2.338 20 0 BEADMN c1cn(C2CC2)c(CNc2nccn2C2CC2)n1 ZINC000902113312 584527100 /nfs/dbraw/zinc/52/71/00/584527100.db2.gz FJQATRANPGMODA-UHFFFAOYSA-N 0 1 243.314 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)CN1CN1Cc2ccccc2C1=O ZINC000902156440 584531858 /nfs/dbraw/zinc/53/18/58/584531858.db2.gz JSRUDLSCLBPGSN-NWDGAFQWSA-N 0 1 244.338 2.330 20 0 BEADMN CNc1ccccc1CNCc1cc(C)n[nH]1 ZINC000902259327 584544610 /nfs/dbraw/zinc/54/46/10/584544610.db2.gz HKQKKKUUVKWLBT-UHFFFAOYSA-N 0 1 230.315 2.050 20 0 BEADMN CNc1ccccc1CNCc1cc(C)[nH]n1 ZINC000902259327 584544611 /nfs/dbraw/zinc/54/46/11/584544611.db2.gz HKQKKKUUVKWLBT-UHFFFAOYSA-N 0 1 230.315 2.050 20 0 BEADMN COCC[C@@H](C)SCc1[nH]ncc1C ZINC000902338997 584556405 /nfs/dbraw/zinc/55/64/05/584556405.db2.gz CHLXQAWSCBITOB-SECBINFHSA-N 0 1 214.334 2.376 20 0 BEADMN C/C=C\C[C@@H]1CCCN(CN2CCOC2=O)C1 ZINC000902346792 584559411 /nfs/dbraw/zinc/55/94/11/584559411.db2.gz QSEZGXFOQUTNQS-ZZKXABKFSA-N 0 1 238.331 2.074 20 0 BEADMN CCn1cnc(CN[C@H]2CCC(F)(F)C2)c1 ZINC000902325967 584560531 /nfs/dbraw/zinc/56/05/31/584560531.db2.gz ASOLVZDWAUSDJF-VIFPVBQESA-N 0 1 229.274 2.180 20 0 BEADMN Cc1nc2c(n1C[C@@H]1C[C@@]13CCOC3)CCCC2 ZINC000902421860 584592790 /nfs/dbraw/zinc/59/27/90/584592790.db2.gz IWZGAPWTNKVXEU-SWLSCSKDSA-N 0 1 246.354 2.497 20 0 BEADMN Cc1cn[nH]c1CSCCOC(F)F ZINC000902427300 584594301 /nfs/dbraw/zinc/59/43/01/584594301.db2.gz KSSPPRHRUXEMIU-UHFFFAOYSA-N 0 1 222.260 2.191 20 0 BEADMN CC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000902513279 584623036 /nfs/dbraw/zinc/62/30/36/584623036.db2.gz VDWWCQPEZUWTIA-FPLPWBNLSA-N 0 1 235.283 2.362 20 0 BEADMN COc1cc(CSCc2[nH]ncc2C)on1 ZINC000902529916 584633273 /nfs/dbraw/zinc/63/32/73/584633273.db2.gz PDEYSXNZJSJAPY-UHFFFAOYSA-N 0 1 239.300 2.148 20 0 BEADMN Cc1cn[nH]c1CSCCOC1CC1 ZINC000902576365 584637304 /nfs/dbraw/zinc/63/73/04/584637304.db2.gz YUEYIVXNIXIZNT-UHFFFAOYSA-N 0 1 212.318 2.130 20 0 BEADMN CCn1cnc(CNC[C@H]2CCC3(CCC3)O2)c1 ZINC000902642903 584645642 /nfs/dbraw/zinc/64/56/42/584645642.db2.gz DNZUEXOPAPPEFK-CYBMUJFWSA-N 0 1 249.358 2.094 20 0 BEADMN CCCn1cc([C@@H](C)NC2(C3CC3)CC2)nn1 ZINC000902916432 584691459 /nfs/dbraw/zinc/69/14/59/584691459.db2.gz QYRYFKJLUAVUSC-SNVBAGLBSA-N 0 1 234.347 2.281 20 0 BEADMN Cc1cc(NC(=O)C2=C(C)N(C(C)C)CC2)n[nH]1 ZINC000902932765 584699242 /nfs/dbraw/zinc/69/92/42/584699242.db2.gz GPOUYTZQIKNFFS-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN CC(C)CCOC(=O)NCCN1CC=CCC1 ZINC000859143849 589008668 /nfs/dbraw/zinc/00/86/68/589008668.db2.gz ZKEKEUBZUJTXNW-UHFFFAOYSA-N 0 1 240.347 2.021 20 0 BEADMN COC/C(C)=C\CN1CCC[C@H](F)C1 ZINC000902991713 584709875 /nfs/dbraw/zinc/70/98/75/584709875.db2.gz ZJJFRRZLRJAINK-VQNWOSHQSA-N 0 1 201.285 2.013 20 0 BEADMN COC/C(C)=C/CN1CCC[C@@H](F)C1 ZINC000902991711 584709880 /nfs/dbraw/zinc/70/98/80/584709880.db2.gz ZJJFRRZLRJAINK-IGLBNKAOSA-N 0 1 201.285 2.013 20 0 BEADMN F[C@@H]1CCCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000902991335 584709897 /nfs/dbraw/zinc/70/98/97/584709897.db2.gz ORSJTAITGJFJPK-JHJVBQTASA-N 0 1 227.323 2.378 20 0 BEADMN O[C@H](Cc1ccccc1)CN1CCC[C@@H](F)C1 ZINC000902992967 584710816 /nfs/dbraw/zinc/71/08/16/584710816.db2.gz OZOSDOIYCRMJDD-ZIAGYGMSSA-N 0 1 237.318 2.024 20 0 BEADMN CC(C)OCCCN1CCC[C@@H](F)C1 ZINC000902998252 584714858 /nfs/dbraw/zinc/71/48/58/584714858.db2.gz JFZLYENSTGNVMG-LLVKDONJSA-N 0 1 203.301 2.235 20 0 BEADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1cn(C)nn1 ZINC000903000709 584715770 /nfs/dbraw/zinc/71/57/70/584715770.db2.gz MCEGSJAKNZBFKO-KPPDAEKUSA-N 0 1 236.363 2.290 20 0 BEADMN CCOCCN(CC)Cc1ccnc(F)c1 ZINC000859133798 589006987 /nfs/dbraw/zinc/00/69/87/589006987.db2.gz LIWGYCBUFRKFQB-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCO[C@H]2C2CC2)c2nccn21 ZINC000903259976 584740434 /nfs/dbraw/zinc/74/04/34/584740434.db2.gz JNSNVKNAUVUZOW-JHEVNIALSA-N 0 1 247.342 2.046 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CCO[C@H]2C2CC2)no1 ZINC000903266094 584741053 /nfs/dbraw/zinc/74/10/53/584741053.db2.gz SFVLVLCSGKRIFA-XWIASGKRSA-N 0 1 236.315 2.201 20 0 BEADMN CCOC1CC(N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903324826 584747407 /nfs/dbraw/zinc/74/74/07/584747407.db2.gz DYRGTFAIHTXFEV-WXRRBKDZSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903316853 584750214 /nfs/dbraw/zinc/75/02/14/584750214.db2.gz KDZWCYNLFKMOBC-DMLMCSCLSA-N 0 1 221.304 2.217 20 0 BEADMN CC1(C)CCC[C@@H](CN[C@@H]2CCn3ccnc32)O1 ZINC000903357124 584755808 /nfs/dbraw/zinc/75/58/08/584755808.db2.gz WSPVNOOQOJFIEP-NWDGAFQWSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C)c1ccncc1Cl ZINC000903393010 584756318 /nfs/dbraw/zinc/75/63/18/584756318.db2.gz DDMXONMACJHJGD-AUTRQRHGSA-N 0 1 240.734 2.421 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903405276 584758423 /nfs/dbraw/zinc/75/84/23/584758423.db2.gz OMGJVQHFKPREAH-ILWJIGKKSA-N 0 1 247.285 2.073 20 0 BEADMN O=C([O-])CCCC[N@H+](CC(F)F)C1CCC1 ZINC000903417080 584760236 /nfs/dbraw/zinc/76/02/36/584760236.db2.gz VGOHZXBEPYQVFI-UHFFFAOYSA-N 0 1 235.274 2.361 20 0 BEADMN O=C([O-])CCCC[N@@H+](CC(F)F)C1CCC1 ZINC000903417080 584760237 /nfs/dbraw/zinc/76/02/37/584760237.db2.gz VGOHZXBEPYQVFI-UHFFFAOYSA-N 0 1 235.274 2.361 20 0 BEADMN O=C([O-])CCC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903415646 584760354 /nfs/dbraw/zinc/76/03/54/584760354.db2.gz LKEUJAUOWHENFW-HIFRSBDPSA-N 0 1 245.322 2.125 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NC/C=C\Cl ZINC000903443567 584768503 /nfs/dbraw/zinc/76/85/03/584768503.db2.gz IKEFSFVIWOMRKX-XICOKMJESA-N 0 1 225.723 2.140 20 0 BEADMN C=C/C=C/CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000903605621 584784342 /nfs/dbraw/zinc/78/43/42/584784342.db2.gz BNCRVHWJJNSYEA-ITDFMYJTSA-N 0 1 247.294 2.396 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000903607077 584784432 /nfs/dbraw/zinc/78/44/32/584784432.db2.gz QVUQHNLHGZLKIY-NRUUGDAUSA-N 0 1 249.310 2.310 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000903607076 584784585 /nfs/dbraw/zinc/78/45/85/584784585.db2.gz QVUQHNLHGZLKIY-GBIKHYSHSA-N 0 1 249.310 2.310 20 0 BEADMN C=C/C=C\CC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000903605623 584784626 /nfs/dbraw/zinc/78/46/26/584784626.db2.gz BNCRVHWJJNSYEA-SCOBNMCVSA-N 0 1 247.294 2.396 20 0 BEADMN CCC(F)(F)C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903603318 584784758 /nfs/dbraw/zinc/78/47/58/584784758.db2.gz NQWFWGTUUAETEW-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903603318 584784759 /nfs/dbraw/zinc/78/47/59/584784759.db2.gz NQWFWGTUUAETEW-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000903608874 584785175 /nfs/dbraw/zinc/78/51/75/584785175.db2.gz OLHKGXQPOHDBLT-RYUDHWBXSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000903590860 584785233 /nfs/dbraw/zinc/78/52/33/584785233.db2.gz BCJQZRKIQWMPCU-USZNOCQGSA-N 0 1 227.348 2.464 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)CC(C)C ZINC000903594639 584785680 /nfs/dbraw/zinc/78/56/80/584785680.db2.gz FBHAPLGBKHPYEI-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000903596420 584786094 /nfs/dbraw/zinc/78/60/94/584786094.db2.gz UDRIWICBHSVJJD-NXEZZACHSA-N 0 1 201.310 2.074 20 0 BEADMN CCCC[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903692844 584789749 /nfs/dbraw/zinc/78/97/49/584789749.db2.gz DQVPJDYRBQYKIJ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903695684 584789818 /nfs/dbraw/zinc/78/98/18/584789818.db2.gz GFUJXSNYCYIOGM-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)c1ccccc1C[N@@H+](C)CC(=O)[O-] ZINC000903693710 584789841 /nfs/dbraw/zinc/78/98/41/584789841.db2.gz MNQXKHBXQKZWRO-UHFFFAOYSA-N 0 1 221.300 2.326 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@@H]1C ZINC000903696639 584790059 /nfs/dbraw/zinc/79/00/59/584790059.db2.gz ZIUCMEGUSGAENS-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@@H+](CCC1(C(=O)[O-])CCC1)C1CC1 ZINC000903696134 584790316 /nfs/dbraw/zinc/79/03/16/584790316.db2.gz BTMKICBNYOCFKJ-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1CF ZINC000903702382 584790527 /nfs/dbraw/zinc/79/05/27/584790527.db2.gz APYLFVKBXQLYTK-LBPRGKRZSA-N 0 1 239.290 2.451 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000903702750 584790721 /nfs/dbraw/zinc/79/07/21/584790721.db2.gz HFZGWVNRFVUKNN-ADPBJBESSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])C1 ZINC000903702870 584790769 /nfs/dbraw/zinc/79/07/69/584790769.db2.gz KOAJFYUEDPJVTB-POSLAHMBSA-N 0 1 225.332 2.218 20 0 BEADMN CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903888322 584814097 /nfs/dbraw/zinc/81/40/97/584814097.db2.gz YQNJTPSOCFBDNN-UONOGXRCSA-N 0 1 247.338 2.272 20 0 BEADMN CCOC[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859154255 589011045 /nfs/dbraw/zinc/01/10/45/589011045.db2.gz AOTNAXZWFMHYIP-LBPRGKRZSA-N 0 1 238.306 2.079 20 0 BEADMN CCC(CC)C[N@@H+](CC)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887181 584818898 /nfs/dbraw/zinc/81/88/98/584818898.db2.gz LSOXMZNSOPSKJA-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903886101 584819251 /nfs/dbraw/zinc/81/92/51/584819251.db2.gz ADGMIZOORBYKMT-LPEHRKFASA-N 0 1 239.340 2.462 20 0 BEADMN COC/C(C)=C/C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000903900651 584820330 /nfs/dbraw/zinc/82/03/30/584820330.db2.gz OJMMRXIORUGIKW-LFYBBSHMSA-N 0 1 243.347 2.012 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])C1 ZINC000903903134 584821243 /nfs/dbraw/zinc/82/12/43/584821243.db2.gz AIXSJJSPELRYND-XKGSQUFQSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)C[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903929310 584824112 /nfs/dbraw/zinc/82/41/12/584824112.db2.gz WRAWJUWPUKPEHY-CYBMUJFWSA-N 0 1 249.310 2.163 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCC1CCC1 ZINC000903936529 584826572 /nfs/dbraw/zinc/82/65/72/584826572.db2.gz UIEHCCHUXNAIJC-YPMHNXCESA-N 0 1 223.316 2.116 20 0 BEADMN CC(C)C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903948116 584830467 /nfs/dbraw/zinc/83/04/67/584830467.db2.gz CDZPUTNUTSDMCN-USZNOCQGSA-N 0 1 227.348 2.462 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CC2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952518 584831602 /nfs/dbraw/zinc/83/16/02/584831602.db2.gz ZPXRXHVIOKPCCC-DTHBNOIPSA-N 0 1 225.332 2.216 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)O[C@H](C)C1CC1 ZINC000904087150 584840530 /nfs/dbraw/zinc/84/05/30/584840530.db2.gz ZSBQVOWRJPBQGG-PWSUYJOCSA-N 0 1 225.332 2.201 20 0 BEADMN CN(CCOC(C)(C)C)Cc1ccnc(F)c1 ZINC000859166766 589012685 /nfs/dbraw/zinc/01/26/85/589012685.db2.gz LJTYXHJUTHIKDN-UHFFFAOYSA-N 0 1 240.322 2.468 20 0 BEADMN C/C(=C\C[N@@H+](C)CCOc1ccccc1)C(=O)[O-] ZINC000825730464 584891602 /nfs/dbraw/zinc/89/16/02/584891602.db2.gz WVHJVLBVEZLJQX-XYOKQWHBSA-N 0 1 249.310 2.028 20 0 BEADMN C/C=C/COC(=O)[C@@H](CC)N(CC)CC ZINC000741032447 584904285 /nfs/dbraw/zinc/90/42/85/584904285.db2.gz KBMHBUVKZRAHOH-FZPLPXEFSA-N 0 1 213.321 2.226 20 0 BEADMN CCCCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000131455445 584909313 /nfs/dbraw/zinc/90/93/13/584909313.db2.gz VSZYBFJDZASFCT-PHIMTYICSA-N 0 1 213.321 2.203 20 0 BEADMN c1ccc2oc(CN3CC[C@H]4C[C@H]43)nc2c1 ZINC000761088778 584909466 /nfs/dbraw/zinc/90/94/66/584909466.db2.gz QWCCHQYPAHEADF-GXSJLCMTSA-N 0 1 214.268 2.422 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000763554164 584922636 /nfs/dbraw/zinc/92/26/36/584922636.db2.gz RTVZKYUGEWABIF-NXEZZACHSA-N 0 1 236.315 2.417 20 0 BEADMN CCC/C(C)=C\C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000764893730 584932629 /nfs/dbraw/zinc/93/26/29/584932629.db2.gz WWBHYEOSNLKZJW-ZJRUKIMVSA-N 0 1 247.342 2.130 20 0 BEADMN CN(CCn1cccn1)C[C@H]1CC1(Cl)Cl ZINC000732412655 584936878 /nfs/dbraw/zinc/93/68/78/584936878.db2.gz JGQFWBCXFVOAMP-SECBINFHSA-N 0 1 248.157 2.009 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@@H](C(C)C)CC1=O ZINC000733295596 584946269 /nfs/dbraw/zinc/94/62/69/584946269.db2.gz AXONBZJRGNZSCX-OLZOCXBDSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)CN(C)CN1C[C@H](C(C)C)CC1=O ZINC000733294809 584946444 /nfs/dbraw/zinc/94/64/44/584946444.db2.gz ONZIFHVILSVUQE-GFCCVEGCSA-N 0 1 226.364 2.036 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000734146529 584957167 /nfs/dbraw/zinc/95/71/67/584957167.db2.gz KAXRYRWYLGVSCE-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nonc1CN([C@H](C)C1CC1)C1CC1 ZINC000734145803 584957367 /nfs/dbraw/zinc/95/73/67/584957367.db2.gz BDNZQLAFNWOKDL-SECBINFHSA-N 0 1 221.304 2.141 20 0 BEADMN CCN(Cc1nonc1C)C1CCCC1 ZINC000734147830 584957621 /nfs/dbraw/zinc/95/76/21/584957621.db2.gz ZGXBRULUHSCLIG-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN Cc1nonc1CN1CCCCC[C@H]1C ZINC000734149834 584957636 /nfs/dbraw/zinc/95/76/36/584957636.db2.gz TYWRWGVFCQOURD-SECBINFHSA-N 0 1 209.293 2.143 20 0 BEADMN CCc1cc(CNC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000735054661 584972439 /nfs/dbraw/zinc/97/24/39/584972439.db2.gz DWNDCICSAIBZIC-VOTSOKGWSA-N 0 1 235.331 2.191 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1C[C@H](C)[C@H]1C ZINC000815163591 584973430 /nfs/dbraw/zinc/97/34/30/584973430.db2.gz PVWQTABIASIXNN-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)[C@H](C)C2(C)CC2)C1 ZINC000755919153 585001376 /nfs/dbraw/zinc/00/13/76/585001376.db2.gz IDHFBPPDEZBRCI-VXGBXAGGSA-N 0 1 238.375 2.323 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@H]1C(F)F ZINC000820869643 585014776 /nfs/dbraw/zinc/01/47/76/585014776.db2.gz WWJIZMILKQQOJH-QMMMGPOBSA-N 0 1 245.200 2.011 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[O-] ZINC000736812676 585016576 /nfs/dbraw/zinc/01/65/76/585016576.db2.gz CJJTYZIJNYQLGQ-GFCCVEGCSA-N 0 1 248.326 2.261 20 0 BEADMN CCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)[O-])c2C1 ZINC000737030204 585023036 /nfs/dbraw/zinc/02/30/36/585023036.db2.gz MXSWSOAURBZZAI-JTQLQIEISA-N 0 1 248.326 2.297 20 0 BEADMN CCc1cc(CNC(=O)CCC(C)(C)C)n[nH]1 ZINC000737847821 585038711 /nfs/dbraw/zinc/03/87/11/585038711.db2.gz KYBKKTUWMVDKPN-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CCN(Cc1cnn(CC)n1)C1CCCC1 ZINC000838792611 585068554 /nfs/dbraw/zinc/06/85/54/585068554.db2.gz SSFMFIMBAZJQIK-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCn1ncc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000838842100 585074135 /nfs/dbraw/zinc/07/41/35/585074135.db2.gz RMJCWVYYTXVXIM-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCCC[C@@H]2C(C)C)n1 ZINC000838841348 585074187 /nfs/dbraw/zinc/07/41/87/585074187.db2.gz VSXUYFNJHSPIGT-CYBMUJFWSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)OCc1c[nH]nn1 ZINC000838898031 585079805 /nfs/dbraw/zinc/07/98/05/585079805.db2.gz OHQIHYIKXVHGGB-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN CCCCCC[C@@H](C)C(=O)OCc1c[nH]nn1 ZINC000838902569 585080523 /nfs/dbraw/zinc/08/05/23/585080523.db2.gz ZYQNRICGQVOCTC-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN CCc1nc([C@H](C)NC[C@@H](O)C2CC2)cs1 ZINC000838930855 585081433 /nfs/dbraw/zinc/08/14/33/585081433.db2.gz NBQIKGOGZQHKQY-GZMMTYOYSA-N 0 1 240.372 2.127 20 0 BEADMN C[Si](C)(C)CN1CCO[C@@H](C(F)(F)F)C1 ZINC000739923719 585086533 /nfs/dbraw/zinc/08/65/33/585086533.db2.gz XAHRZJGLCGMFTK-MRVPVSSYSA-N 0 1 241.329 2.127 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000003748102 585091264 /nfs/dbraw/zinc/09/12/64/585091264.db2.gz HCVSCHQQNHXAAC-VIFPVBQESA-N 0 1 225.313 2.106 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])s1 ZINC000003748096 585091326 /nfs/dbraw/zinc/09/13/26/585091326.db2.gz DJBSWGSMLRTOJC-JTQLQIEISA-N 0 1 225.313 2.106 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C1CC(C)(C)C1 ZINC000839190939 585097286 /nfs/dbraw/zinc/09/72/86/585097286.db2.gz CXPHLPVEPDJZBM-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cn2c3ccccc3oc2=O)C1 ZINC000740860025 585107575 /nfs/dbraw/zinc/10/75/75/585107575.db2.gz OJSLCDALWWVIAS-MNOVXSKESA-N 0 1 246.310 2.282 20 0 BEADMN C[C@H]1C[C@H](C)N(Cn2cccnc2=S)C1 ZINC000740859983 585107602 /nfs/dbraw/zinc/10/76/02/585107602.db2.gz NZYHYYRDGQKWRY-UWVGGRQHSA-N 0 1 223.345 2.300 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cn2cccnc2=S)C1 ZINC000740859982 585107700 /nfs/dbraw/zinc/10/77/00/585107700.db2.gz NZYHYYRDGQKWRY-NXEZZACHSA-N 0 1 223.345 2.300 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000741689727 585116536 /nfs/dbraw/zinc/11/65/36/585116536.db2.gz FMAXFDNXUFHDTO-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000741776135 585117986 /nfs/dbraw/zinc/11/79/86/585117986.db2.gz WTPNJUUBRSJEMN-VOMCLLRMSA-N 0 1 225.332 2.345 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)CCC(C)C ZINC000741777323 585118050 /nfs/dbraw/zinc/11/80/50/585118050.db2.gz MODRMFTUGBKMSY-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)[C@H](C)C1CC1 ZINC000741782685 585118488 /nfs/dbraw/zinc/11/84/88/585118488.db2.gz GGZLHHYNFYRDNO-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N(CCC)CCC ZINC000741781359 585118662 /nfs/dbraw/zinc/11/86/62/585118662.db2.gz SNVBRJFIXDAYRC-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)[C@H](C)C1CC1 ZINC000741782684 585118753 /nfs/dbraw/zinc/11/87/53/585118753.db2.gz GGZLHHYNFYRDNO-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)[C@@H](CCO)NCc1coc(C2CC2)n1 ZINC000742381420 585125429 /nfs/dbraw/zinc/12/54/29/585125429.db2.gz ZCSUIJYANKIIDS-GFCCVEGCSA-N 0 1 238.331 2.049 20 0 BEADMN C[C@@H]1CCCN(Cn2cc[nH]c2=S)CC1 ZINC000743357155 585135531 /nfs/dbraw/zinc/13/55/31/585135531.db2.gz AEJJMHNGPPAGHQ-SNVBAGLBSA-N 0 1 225.361 2.251 20 0 BEADMN CN(CC1CCCC1)CN1C(=O)CC12CCC2 ZINC000743356273 585135641 /nfs/dbraw/zinc/13/56/41/585135641.db2.gz MRCFJLOGDBHVDO-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC[C@@H](C)CN(C)Cn1cc[nH]c1=S ZINC000743364668 585136206 /nfs/dbraw/zinc/13/62/06/585136206.db2.gz OLXXQHXOBWNCCC-SECBINFHSA-N 0 1 213.350 2.107 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1ncccn1 ZINC000743395988 585136310 /nfs/dbraw/zinc/13/63/10/585136310.db2.gz LSZMXLLURQHSIP-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CC1(C)CCN(Cn2cccnc2=S)C1 ZINC000743389730 585136485 /nfs/dbraw/zinc/13/64/85/585136485.db2.gz BUITWCSECIALPN-UHFFFAOYSA-N 0 1 223.345 2.302 20 0 BEADMN Cc1nonc1CN1C2CCCC1CCC2 ZINC000744406432 585150117 /nfs/dbraw/zinc/15/01/17/585150117.db2.gz KVBMJZBPTIAGAX-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN Cc1nonc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000744406745 585150131 /nfs/dbraw/zinc/15/01/31/585150131.db2.gz OSYHQOHNTAXCSW-JQWIXIFHSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1nonc1CN1CC[C@@H](CC(C)C)C1 ZINC000745986305 585162329 /nfs/dbraw/zinc/16/23/29/585162329.db2.gz FZHGWAANABKEBR-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN C/C=C\COC(=O)Cc1[nH]nc2ccccc21 ZINC000746587084 585170561 /nfs/dbraw/zinc/17/05/61/585170561.db2.gz VJHLQKHFGSYKOB-IHWYPQMZSA-N 0 1 230.267 2.225 20 0 BEADMN CCCCC[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000748522226 585193785 /nfs/dbraw/zinc/19/37/85/585193785.db2.gz HHIJRDGYBIOWPU-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN COC(=O)/C(C)=C/CN1CC[C@@H](c2ccco2)C1 ZINC000748818287 585196615 /nfs/dbraw/zinc/19/66/15/585196615.db2.gz TWWKZEFHJHHNOE-JXDHDYMSSA-N 0 1 249.310 2.188 20 0 BEADMN CC[C@H]1CCC[N@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000749167947 585200323 /nfs/dbraw/zinc/20/03/23/585200323.db2.gz IASZVRZDCHKNIV-NSHDSACASA-N 0 1 238.375 2.465 20 0 BEADMN CC[C@@H](O)CN(CCF)Cc1ccccc1 ZINC000749462980 585202668 /nfs/dbraw/zinc/20/26/68/585202668.db2.gz IDDJKZNLGQTJFD-CYBMUJFWSA-N 0 1 225.307 2.229 20 0 BEADMN O=C1[C@@H]2CCCCC[C@@H]2N1CN1C2CCC1CC2 ZINC000749935493 585208478 /nfs/dbraw/zinc/20/84/78/585208478.db2.gz AMWBPBYGHMXILD-PQAZSJQKSA-N 0 1 248.370 2.362 20 0 BEADMN CCCCC[C@@H](C)NC(=O)[C@H](C)N(C)C ZINC000750016436 585209509 /nfs/dbraw/zinc/20/95/09/585209509.db2.gz XSCLRPATSFYEQS-MNOVXSKESA-N 0 1 214.353 2.022 20 0 BEADMN Cc1ccccc1[C@H](C)CC(=O)Nc1c[nH]nn1 ZINC000789926989 585212679 /nfs/dbraw/zinc/21/26/79/585212679.db2.gz IWQNQBKIWQZUQH-SNVBAGLBSA-N 0 1 244.298 2.245 20 0 BEADMN CC[C@](C)(NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000750612161 585217776 /nfs/dbraw/zinc/21/77/76/585217776.db2.gz JYXPFLNBABUJEK-WFASDCNBSA-N 0 1 248.370 2.378 20 0 BEADMN C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C)C1)N(C)C ZINC000750607761 585217860 /nfs/dbraw/zinc/21/78/60/585217860.db2.gz YKBOTQJLPSDVRK-RYUDHWBXSA-N 0 1 246.354 2.082 20 0 BEADMN C[C@@H]1CN(Cn2cccnc2=S)C[C@H]1C ZINC000751931615 585239456 /nfs/dbraw/zinc/23/94/56/585239456.db2.gz XLGTUFUNPXMUCX-NXEZZACHSA-N 0 1 223.345 2.158 20 0 BEADMN Cc1cc(CNC(=O)/C=C2\CC[C@@H](C)C2)n[nH]1 ZINC000753616213 585264087 /nfs/dbraw/zinc/26/40/87/585264087.db2.gz FSBYEGNQALMQNA-MXFUOJGSSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1cc(CNC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC000753616206 585264213 /nfs/dbraw/zinc/26/42/13/585264213.db2.gz FSBYEGNQALMQNA-FKVCUQLRSA-N 0 1 233.315 2.081 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC(=O)C(C)(C)C ZINC000753745797 585267885 /nfs/dbraw/zinc/26/78/85/585267885.db2.gz JQFFPAKEFZVWTL-NWDGAFQWSA-N 0 1 240.391 2.016 20 0 BEADMN CCC(=O)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000753750725 585268077 /nfs/dbraw/zinc/26/80/77/585268077.db2.gz WEZHNIVPASVBKK-MWLCHTKSSA-N 0 1 201.285 2.036 20 0 BEADMN CCC(=O)CCN1CC[C@H](C)[C@H](F)C1 ZINC000753750063 585268103 /nfs/dbraw/zinc/26/81/03/585268103.db2.gz WEZHNIVPASVBKK-GXSJLCMTSA-N 0 1 201.285 2.036 20 0 BEADMN CCC[C@@H](C)CC(=O)OCc1n[nH]c(CC)n1 ZINC000753950631 585272929 /nfs/dbraw/zinc/27/29/29/585272929.db2.gz GVHONAFDBOAGBW-SECBINFHSA-N 0 1 239.319 2.237 20 0 BEADMN FCCN1CCC(c2ccccn2)CC1 ZINC000754351640 585282665 /nfs/dbraw/zinc/28/26/65/585282665.db2.gz JHHYGGNAQXOMRW-UHFFFAOYSA-N 0 1 208.280 2.231 20 0 BEADMN CCN1CCN(C/C(Cl)=C\Cl)C[C@@H]1C ZINC000754375062 585283435 /nfs/dbraw/zinc/28/34/35/585283435.db2.gz ZUYIEOLPOLWMOF-CMWXKVOJSA-N 0 1 237.174 2.331 20 0 BEADMN CC1(C)CCN1C[C@@H](O)c1ccc(F)cc1F ZINC000754656104 585288912 /nfs/dbraw/zinc/28/89/12/585288912.db2.gz DBAJSMAIVXWVNO-GFCCVEGCSA-N 0 1 241.281 2.483 20 0 BEADMN CCc1nc(COC(=O)C=C2CCCCC2)n[nH]1 ZINC000754794860 585291034 /nfs/dbraw/zinc/29/10/34/585291034.db2.gz XDKPASSDGAHYSO-UHFFFAOYSA-N 0 1 249.314 2.301 20 0 BEADMN CCc1nc(COC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC000754821720 585291331 /nfs/dbraw/zinc/29/13/31/585291331.db2.gz RUNYMVWGSRXVQS-QMMMGPOBSA-N 0 1 239.319 2.093 20 0 BEADMN CC=C(C=CC(=O)OCc1n[nH]c(CC)n1)CC ZINC000754847500 585291480 /nfs/dbraw/zinc/29/14/80/585291480.db2.gz XXZVVCDKIHPBBS-IJKCFHSJSA-N 0 1 249.314 2.323 20 0 BEADMN CCc1nc(COC(=O)/C=C2\CC[C@@H](C)C2)n[nH]1 ZINC000754845496 585291631 /nfs/dbraw/zinc/29/16/31/585291631.db2.gz KPOZIUJVCPERRV-YIXGCBLDSA-N 0 1 249.314 2.157 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCC(C)(C)CC2)C1 ZINC000755925300 585309871 /nfs/dbraw/zinc/30/98/71/585309871.db2.gz ZLAPKTHCXFEFKO-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C(C)C)C1 ZINC000755998671 585312552 /nfs/dbraw/zinc/31/25/52/585312552.db2.gz ZAHWNRMANGCANE-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(CC(=O)OCC2CCCCC2)n[nH]1 ZINC000756239842 585316179 /nfs/dbraw/zinc/31/61/79/585316179.db2.gz LHDXJQBVZDWQIV-UHFFFAOYSA-N 0 1 236.315 2.384 20 0 BEADMN Cc1cc(CC(=O)O[C@H](C)CC(C)C)n[nH]1 ZINC000756246922 585316388 /nfs/dbraw/zinc/31/63/88/585316388.db2.gz ZWPWYKNGTMYAHM-SNVBAGLBSA-N 0 1 224.304 2.238 20 0 BEADMN Cc1cc(CC(=O)OCCC2CCCC2)n[nH]1 ZINC000756267487 585316619 /nfs/dbraw/zinc/31/66/19/585316619.db2.gz PUYUQMTZRBSFCC-UHFFFAOYSA-N 0 1 236.315 2.384 20 0 BEADMN FC[C@@H]1CN(C[C@H]2CCc3ccccc32)CCO1 ZINC000839621322 585332411 /nfs/dbraw/zinc/33/24/11/585332411.db2.gz IRRBFMRUPWGQDX-ZIAGYGMSSA-N 0 1 249.329 2.387 20 0 BEADMN CCN(CCC(C)=O)Cc1occc1C ZINC000839661851 585334259 /nfs/dbraw/zinc/33/42/59/585334259.db2.gz RPAPAPRVXFQRFZ-UHFFFAOYSA-N 0 1 209.289 2.389 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000839661713 585334327 /nfs/dbraw/zinc/33/43/27/585334327.db2.gz YZLVWLRRANAFJM-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@H](C2CCC2)C1 ZINC000839677600 585336598 /nfs/dbraw/zinc/33/65/98/585336598.db2.gz TXIMEFKVLSDWIN-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C3CCC3)C2)n1 ZINC000839680746 585336989 /nfs/dbraw/zinc/33/69/89/585336989.db2.gz NDGASUWDWQWSBE-ZDUSSCGKSA-N 0 1 231.343 2.407 20 0 BEADMN O=C(OCCC1CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000757898228 585346452 /nfs/dbraw/zinc/34/64/52/585346452.db2.gz NNJPXUFYRNTSBE-SNVBAGLBSA-N 0 1 234.299 2.173 20 0 BEADMN O=C(OCCC1CC1)[C@H]1CCCc2[nH]ncc21 ZINC000757898225 585346499 /nfs/dbraw/zinc/34/64/99/585346499.db2.gz NNJPXUFYRNTSBE-JTQLQIEISA-N 0 1 234.299 2.173 20 0 BEADMN CC(C)CCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757882969 585346521 /nfs/dbraw/zinc/34/65/21/585346521.db2.gz FTJLTRBHCZYRDZ-JTQLQIEISA-N 0 1 236.315 2.419 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757877413 585346523 /nfs/dbraw/zinc/34/65/23/585346523.db2.gz LFUQGZINYWECQN-BBBLOLIVSA-N 0 1 234.299 2.029 20 0 BEADMN O=C(OC/C=C/Cl)[C@H]1CCCc2[nH]ncc21 ZINC000758136568 585350616 /nfs/dbraw/zinc/35/06/16/585350616.db2.gz METKOLQMTFFYTP-NCJLJLRUSA-N 0 1 240.690 2.125 20 0 BEADMN CC[C@H](C)COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758138358 585350703 /nfs/dbraw/zinc/35/07/03/585350703.db2.gz NQLTXVBZQHWDNP-UWVGGRQHSA-N 0 1 236.315 2.419 20 0 BEADMN Cc1cnc(=S)n(CN2C[C@H](C)[C@H](C)C2)c1 ZINC000758341383 585354094 /nfs/dbraw/zinc/35/40/94/585354094.db2.gz SBFDHLXBLSBZCG-PHIMTYICSA-N 0 1 237.372 2.466 20 0 BEADMN CC[C@@]1(C)CCN(CN2CCSC2=S)C1 ZINC000758395371 585355605 /nfs/dbraw/zinc/35/56/05/585355605.db2.gz LCTRHZKVZUPMLX-NSHDSACASA-N 0 1 244.429 2.400 20 0 BEADMN C[C@@H]1CCN(Cn2cc[nH]c2=S)CC1(C)C ZINC000759001711 585363467 /nfs/dbraw/zinc/36/34/67/585363467.db2.gz YIYDCWLVFYKRSI-SNVBAGLBSA-N 0 1 239.388 2.497 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@@H](C)C1 ZINC000759320432 585367024 /nfs/dbraw/zinc/36/70/24/585367024.db2.gz HBFUYEGKDZEZNR-STQMWFEESA-N 0 1 229.364 2.038 20 0 BEADMN COc1ccc([C@@H]2CCN(CCF)C2)cc1 ZINC000759331709 585367988 /nfs/dbraw/zinc/36/79/88/585367988.db2.gz IURFEVATWFCMGX-GFCCVEGCSA-N 0 1 223.291 2.454 20 0 BEADMN C[C@@H](C(=O)NOCC(F)F)c1ccccc1F ZINC000759335174 585368156 /nfs/dbraw/zinc/36/81/56/585368156.db2.gz OYABYLBTFUVOES-SSDOTTSWSA-N 0 1 247.216 2.242 20 0 BEADMN CCCCCCN1CC[C@H](C)[S@](=O)CC1 ZINC000759868775 585381748 /nfs/dbraw/zinc/38/17/48/585381748.db2.gz LZXUZHIEVXFFNM-SWLSCSKDSA-N 0 1 231.405 2.410 20 0 BEADMN Cc1nonc1CNC[C@@H]1C(C)=CCC[C@H]1C ZINC000809744721 585387611 /nfs/dbraw/zinc/38/76/11/585387611.db2.gz ZJRSCYXOLXEUNB-ZYHUDNBSSA-N 0 1 235.331 2.460 20 0 BEADMN CCc1oc(C(=O)OC)cc1CN1CC[C@H]2C[C@H]21 ZINC000761090256 585408120 /nfs/dbraw/zinc/40/81/20/585408120.db2.gz TWSRMJIWHXAAJK-GXSJLCMTSA-N 0 1 249.310 2.223 20 0 BEADMN C[C@@H]1COCC[C@H]1NCc1coc(C2CC2)n1 ZINC000762484926 585432699 /nfs/dbraw/zinc/43/26/99/585432699.db2.gz FTLUFTNYGJJTGV-BXKDBHETSA-N 0 1 236.315 2.067 20 0 BEADMN CCCN(CN1C[C@H](C2CC2)CC1=O)C1CC1 ZINC000762498000 585433519 /nfs/dbraw/zinc/43/35/19/585433519.db2.gz UZUDYNLIRWDUNE-GFCCVEGCSA-N 0 1 236.359 2.077 20 0 BEADMN Cc1nc(COC(=O)c2cc(C)cc(C)c2)n[nH]1 ZINC000762588001 585434299 /nfs/dbraw/zinc/43/42/99/585434299.db2.gz VNZDLOKXHVLSMO-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN COCCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000762827675 585438018 /nfs/dbraw/zinc/43/80/18/585438018.db2.gz BJJLRJBSGKTQKB-UHFFFAOYSA-N 0 1 244.674 2.239 20 0 BEADMN S=c1ncccn1CN1CC[C@@H](C2CC2)C1 ZINC000763330752 585446765 /nfs/dbraw/zinc/44/67/65/585446765.db2.gz DMOXBKHEXBCBMO-LLVKDONJSA-N 0 1 235.356 2.302 20 0 BEADMN Cl/C=C(/Cl)CN1CCN(C2CCC2)CC1 ZINC000763553830 585450618 /nfs/dbraw/zinc/45/06/18/585450618.db2.gz KEPZQHCSADKVKG-CSKARUKUSA-N 0 1 249.185 2.476 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000765737834 585492211 /nfs/dbraw/zinc/49/22/11/585492211.db2.gz IBGMSHBNJNSGJB-WDEREUQCSA-N 0 1 242.363 2.336 20 0 BEADMN CC[C@@H](C(=O)OCC[C@@H](C)OC)N(CC)CC ZINC000765962953 585494606 /nfs/dbraw/zinc/49/46/06/585494606.db2.gz HMAPZZURGFINHR-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CN(Cn1ccc(-c2nccs2)n1)C1CC1 ZINC000766065171 585497155 /nfs/dbraw/zinc/49/71/55/585497155.db2.gz BLWKUEJJULMYCK-UHFFFAOYSA-N 0 1 234.328 2.058 20 0 BEADMN CCc1cc(CNc2nc(C)cc(CC)n2)n[nH]1 ZINC000766081689 585497277 /nfs/dbraw/zinc/49/72/77/585497277.db2.gz IIDDANQNAHJADJ-UHFFFAOYSA-N 0 1 245.330 2.245 20 0 BEADMN CCCCCCN1CCNC(=O)[C@@H]1CCC ZINC000766256134 585499623 /nfs/dbraw/zinc/49/96/23/585499623.db2.gz JCALWJYXCQSIHO-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CCCC=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766693283 585505623 /nfs/dbraw/zinc/50/56/23/585505623.db2.gz SOORXXZIPVKJHP-OHYQPGSNSA-N 0 1 233.315 2.260 20 0 BEADMN CCCC=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766693289 585505628 /nfs/dbraw/zinc/50/56/28/585505628.db2.gz SOORXXZIPVKJHP-VUQUXZKVSA-N 0 1 233.315 2.260 20 0 BEADMN CCCC=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766693286 585505636 /nfs/dbraw/zinc/50/56/36/585505636.db2.gz SOORXXZIPVKJHP-SOZJPDODSA-N 0 1 233.315 2.260 20 0 BEADMN CC(C)[C@@H](C(=O)OCCCF)N1CCCC1 ZINC000767351038 585516907 /nfs/dbraw/zinc/51/69/07/585516907.db2.gz ZPTXDDYCAHORSB-NSHDSACASA-N 0 1 231.311 2.010 20 0 BEADMN CCc1cc(CNCc2cc(C)oc2C)[nH]n1 ZINC000767370591 585518030 /nfs/dbraw/zinc/51/80/30/585518030.db2.gz AVPUAGWHWNALLM-UHFFFAOYSA-N 0 1 233.315 2.472 20 0 BEADMN CCc1nc(COC(=O)C(C)(CC)CC)n[nH]1 ZINC000767611100 585523137 /nfs/dbraw/zinc/52/31/37/585523137.db2.gz HGZXNWZCVRTPPX-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN CCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767805527 585526159 /nfs/dbraw/zinc/52/61/59/585526159.db2.gz BTZWUHAQEBUMNK-UHFFFAOYSA-N 0 1 231.255 2.039 20 0 BEADMN O=C(Nc1cncnc1)c1c(O)cccc1Cl ZINC000768624518 585540976 /nfs/dbraw/zinc/54/09/76/585540976.db2.gz PUBNJBZBAWFJHB-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CCc1nnc([C@@H](C)NC2CC(C(F)F)C2)[nH]1 ZINC000768710567 585542114 /nfs/dbraw/zinc/54/21/14/585542114.db2.gz ZAFDMICFYAWACK-JECWYVHBSA-N 0 1 244.289 2.061 20 0 BEADMN CCC(=CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C)CC ZINC000768845928 585544644 /nfs/dbraw/zinc/54/46/44/585544644.db2.gz KBGUEWSKIOHDIE-NEPJUHHUSA-N 0 1 238.375 2.284 20 0 BEADMN CCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769039659 585547931 /nfs/dbraw/zinc/54/79/31/585547931.db2.gz FIUIXQHPGKONPE-UHFFFAOYSA-N 0 1 239.290 2.211 20 0 BEADMN Cc1nnc([C@@H]2CCCN(Cc3ccoc3)C2)o1 ZINC000769239561 585551555 /nfs/dbraw/zinc/55/15/55/585551555.db2.gz OVSDAHYYJZWDEV-GFCCVEGCSA-N 0 1 247.298 2.351 20 0 BEADMN CCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770565642 585576634 /nfs/dbraw/zinc/57/66/34/585576634.db2.gz LCRFIXRWLUSFEN-UHFFFAOYSA-N 0 1 245.282 2.429 20 0 BEADMN CC[C@H](CC(=O)OCc1n[nH]c(C)n1)C(C)C ZINC000770639053 585578622 /nfs/dbraw/zinc/57/86/22/585578622.db2.gz DSXHDBYTLCEMOE-SNVBAGLBSA-N 0 1 239.319 2.229 20 0 BEADMN CC[C@@H](CC(=O)OCc1n[nH]c(C)n1)C(C)C ZINC000770639052 585578841 /nfs/dbraw/zinc/57/88/41/585578841.db2.gz DSXHDBYTLCEMOE-JTQLQIEISA-N 0 1 239.319 2.229 20 0 BEADMN Cc1nc(COC(=O)/C=C\C2CCCCC2)n[nH]1 ZINC000770643314 585578989 /nfs/dbraw/zinc/57/89/89/585578989.db2.gz HMXSMYDZSAARMO-FPLPWBNLSA-N 0 1 249.314 2.293 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccoc2)C1 ZINC000771940472 585605345 /nfs/dbraw/zinc/60/53/45/585605345.db2.gz SVKPUOJVBWWLKK-LBPRGKRZSA-N 0 1 209.289 2.281 20 0 BEADMN C[C@H](N[C@@H](CO)C1CC1)c1c(F)cccc1F ZINC000773007485 585629607 /nfs/dbraw/zinc/62/96/07/585629607.db2.gz GOWXNCXFVHMUPW-UFBFGSQYSA-N 0 1 241.281 2.386 20 0 BEADMN O=C(NOc1ccccc1)C1CC=CC1 ZINC000773459563 585637280 /nfs/dbraw/zinc/63/72/80/585637280.db2.gz AWQXJJRHCOVFFF-UHFFFAOYSA-N 0 1 203.241 2.063 20 0 BEADMN CC[C@@H](C(=O)OCCSC)N(CC)CC ZINC000773525206 585639531 /nfs/dbraw/zinc/63/95/31/585639531.db2.gz ZKGBGEALNNDQNJ-JTQLQIEISA-N 0 1 233.377 2.013 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000774193905 585653214 /nfs/dbraw/zinc/65/32/14/585653214.db2.gz RAWCVRUODORLDT-SOFGYWHQSA-N 0 1 237.303 2.149 20 0 BEADMN CCc1cc(CNc2nc(C(C)C)no2)n[nH]1 ZINC000774528968 585660806 /nfs/dbraw/zinc/66/08/06/585660806.db2.gz HTAIQDMVEZLIFO-UHFFFAOYSA-N 0 1 235.291 2.091 20 0 BEADMN CC(C)C(N)=NOCC[C@@H]1CCCCO1 ZINC000774778928 585665863 /nfs/dbraw/zinc/66/58/63/585665863.db2.gz NRVSJRFWYRWCDC-JTQLQIEISA-N 0 1 214.309 2.100 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2nccs2)cc1 ZINC000775020547 585670552 /nfs/dbraw/zinc/67/05/52/585670552.db2.gz IKTHVAKBOBZFBS-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN c1nc2c(s1)CN(C[C@@H]1CCC=CO1)CC2 ZINC000775097722 585672274 /nfs/dbraw/zinc/67/22/74/585672274.db2.gz LMRGEHCSQXIUFS-JTQLQIEISA-N 0 1 236.340 2.194 20 0 BEADMN Cc1nonc1CN1CCCC[C@H](C)C1 ZINC000775732099 585683792 /nfs/dbraw/zinc/68/37/92/585683792.db2.gz OCUGFIRCRZREPA-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782182 585684413 /nfs/dbraw/zinc/68/44/13/585684413.db2.gz CZNNOIROYYOAGV-GXSJLCMTSA-N 0 1 235.331 2.111 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782182 585684414 /nfs/dbraw/zinc/68/44/14/585684414.db2.gz CZNNOIROYYOAGV-GXSJLCMTSA-N 0 1 235.331 2.111 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000776477228 585699175 /nfs/dbraw/zinc/69/91/75/585699175.db2.gz QPEPJWPWDMLBJP-VHSXEESVSA-N 0 1 235.331 2.025 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776602388 585702361 /nfs/dbraw/zinc/70/23/61/585702361.db2.gz IORZGRORAUZUCT-QWRGUYRKSA-N 0 1 242.363 2.336 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)CC1(C)C ZINC000776592024 585702421 /nfs/dbraw/zinc/70/24/21/585702421.db2.gz OOQRGNYULRFXPS-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)COC(=O)CN1CC[C@@H](C(C)C)C1 ZINC000776592632 585702433 /nfs/dbraw/zinc/70/24/33/585702433.db2.gz RMIZRKHMKCKGFS-GFCCVEGCSA-N 0 1 227.348 2.164 20 0 BEADMN C[N@H+](Cc1ccc(CF)cc1)C[C@@H](O)C1CC1 ZINC000777600466 585716823 /nfs/dbraw/zinc/71/68/23/585716823.db2.gz ZTNRKBGXWYRNJN-CQSZACIVSA-N 0 1 237.318 2.359 20 0 BEADMN CCCCOC(=O)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000778231323 585728392 /nfs/dbraw/zinc/72/83/92/585728392.db2.gz DTFBKHHOKVRQFD-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN CC[C@]1(O)CCN(Cc2cccc(Cl)n2)C1 ZINC000778398244 585733652 /nfs/dbraw/zinc/73/36/52/585733652.db2.gz DOUBXMLZONGNPV-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CCc1nc(COC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000778403845 585733940 /nfs/dbraw/zinc/73/39/40/585733940.db2.gz ZGDYDGNZHWGUEA-JTQLQIEISA-N 0 1 249.314 2.157 20 0 BEADMN CC[C@H](C(=O)OC[C@@H]1C[C@H]1C)N(CC)CC ZINC000778618366 585738239 /nfs/dbraw/zinc/73/82/39/585738239.db2.gz SBCKQELLJGPJPO-GRYCIOLGSA-N 0 1 227.348 2.306 20 0 BEADMN COC1(C)CCN(Cc2ccc(F)nc2)CC1 ZINC000779165742 585746583 /nfs/dbraw/zinc/74/65/83/585746583.db2.gz FTUSSDRDRRZQEQ-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)CCO)cs1 ZINC000779339596 585751525 /nfs/dbraw/zinc/75/15/25/585751525.db2.gz CZWXKESRLFBLEH-BDAKNGLRSA-N 0 1 228.361 2.127 20 0 BEADMN CC[C@@H](CO)C(=O)Nc1cccc(Cl)c1O ZINC000779822487 585767444 /nfs/dbraw/zinc/76/74/44/585767444.db2.gz BNPVWQIBECBAMF-ZETCQYMHSA-N 0 1 243.690 2.003 20 0 BEADMN c1ccc2c(c1)CC[C@H]2CN1CCOCC1 ZINC000780286081 585776973 /nfs/dbraw/zinc/77/69/73/585776973.db2.gz HUQOBGVISCGUAJ-ZDUSSCGKSA-N 0 1 217.312 2.049 20 0 BEADMN CC/C(C)=C(\C)C(=O)Nc1nc(SC)n[nH]1 ZINC000780920931 585786267 /nfs/dbraw/zinc/78/62/67/585786267.db2.gz MNWSICCDQAVVEQ-VOTSOKGWSA-N 0 1 240.332 2.212 20 0 BEADMN CC/C(C)=C(/C)C(=O)NCc1cc(C)[nH]n1 ZINC000780936798 585786865 /nfs/dbraw/zinc/78/68/65/585786865.db2.gz CYVLHBSUZRLIMF-NTMALXAHSA-N 0 1 221.304 2.081 20 0 BEADMN C[C@@H](C1CC1)N1CCN(c2ncccc2F)CC1 ZINC000782183961 585810861 /nfs/dbraw/zinc/81/08/61/585810861.db2.gz BRRGFLPJJBPTSI-NSHDSACASA-N 0 1 249.333 2.141 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N(C)C[C@H]1C ZINC000782585043 585820458 /nfs/dbraw/zinc/82/04/58/585820458.db2.gz MDZZXJWJWFMUMM-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](NC[C@@H]1CCC=CO1)c1ccn(C)n1 ZINC000783308464 585833541 /nfs/dbraw/zinc/83/35/41/585833541.db2.gz DYOBPUNGGRDKPL-NWDGAFQWSA-N 0 1 235.331 2.154 20 0 BEADMN Cc1nonc1CN1C[C@H](C)CC(C)(C)C1 ZINC000784350799 585856663 /nfs/dbraw/zinc/85/66/63/585856663.db2.gz SAEZHMYMJPMIMZ-SECBINFHSA-N 0 1 223.320 2.246 20 0 BEADMN CC(C)[C@@H](F)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000784501887 585861451 /nfs/dbraw/zinc/86/14/51/585861451.db2.gz CCSHOVHAXFMGAI-MRVPVSSYSA-N 0 1 240.282 2.005 20 0 BEADMN CC(C)[C@@H](F)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000784501887 585861452 /nfs/dbraw/zinc/86/14/52/585861452.db2.gz CCSHOVHAXFMGAI-MRVPVSSYSA-N 0 1 240.282 2.005 20 0 BEADMN CC(C)CCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785744078 585879299 /nfs/dbraw/zinc/87/92/99/585879299.db2.gz NOIYVTSWXBNJKF-TXEJJXNPSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](C)COC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785743024 585879317 /nfs/dbraw/zinc/87/93/17/585879317.db2.gz KBMSNUNVJGENNU-QJPTWQEYSA-N 0 1 227.348 2.449 20 0 BEADMN C/C=C\C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000785877145 585882326 /nfs/dbraw/zinc/88/23/26/585882326.db2.gz KSNOFWIKOJJZCV-IHWYPQMZSA-N 0 1 219.219 2.217 20 0 BEADMN CSCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000786341671 585889890 /nfs/dbraw/zinc/88/98/90/585889890.db2.gz OFXAPCHFFDCYSB-UHFFFAOYSA-N 0 1 242.344 2.361 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000786935166 585898731 /nfs/dbraw/zinc/89/87/31/585898731.db2.gz AUKBTBUJQVTLLB-DGCLKSJQSA-N 0 1 242.326 2.155 20 0 BEADMN CC1(C)CN(C[C@@H](O)c2cccc(F)c2)C1 ZINC000788434103 585923070 /nfs/dbraw/zinc/92/30/70/585923070.db2.gz GFRMDRBKUPZQET-GFCCVEGCSA-N 0 1 223.291 2.201 20 0 BEADMN O=C(CC1COC1)Nc1cccc(Cl)c1O ZINC000788662446 585928591 /nfs/dbraw/zinc/92/85/91/585928591.db2.gz QIRJNQUXKNWHEO-UHFFFAOYSA-N 0 1 241.674 2.021 20 0 BEADMN CCC(N)=NOCCCCOC(C)(C)C ZINC000788788961 585930358 /nfs/dbraw/zinc/93/03/58/585930358.db2.gz YTYVAPJJGWEJQY-UHFFFAOYSA-N 0 1 216.325 2.490 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000789804350 585950726 /nfs/dbraw/zinc/95/07/26/585950726.db2.gz OWNPSECKAKLYTO-GHMZBOCLSA-N 0 1 215.337 2.160 20 0 BEADMN C[C@@H](CC(=O)Nc1c[nH]nn1)C1CCCCC1 ZINC000789929279 585954175 /nfs/dbraw/zinc/95/41/75/585954175.db2.gz VZGVLNICKZNGGJ-VIFPVBQESA-N 0 1 236.319 2.350 20 0 BEADMN Cc1nn[nH]c1C(=O)N1CCCC12CCCCC2 ZINC000790005860 585956015 /nfs/dbraw/zinc/95/60/15/585956015.db2.gz WCFBBYPHIIBLMZ-UHFFFAOYSA-N 0 1 248.330 2.052 20 0 BEADMN CC(C)(C)[C@H]1CN(CCC(=O)C2CC2)CCO1 ZINC000790430084 585964682 /nfs/dbraw/zinc/96/46/82/585964682.db2.gz APJAIUAQQXHMDP-CYBMUJFWSA-N 0 1 239.359 2.103 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H](C)CC)n[nH]1 ZINC000790631709 585967020 /nfs/dbraw/zinc/96/70/20/585967020.db2.gz HZIVIZMDZIYCIG-VIFPVBQESA-N 0 1 223.320 2.025 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C1=COCC1 ZINC000791056096 585973675 /nfs/dbraw/zinc/97/36/75/585973675.db2.gz UDIICOMZYGLDFE-UHFFFAOYSA-N 0 1 243.266 2.114 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccc(F)c(F)c1 ZINC000791564882 585983969 /nfs/dbraw/zinc/98/39/69/585983969.db2.gz BDAFRWZYORBKSM-RWEMILLDSA-N 0 1 241.281 2.481 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc(F)c(F)c1 ZINC000791564881 585984153 /nfs/dbraw/zinc/98/41/53/585984153.db2.gz BDAFRWZYORBKSM-KKFJDGPESA-N 0 1 241.281 2.481 20 0 BEADMN COc1ccc(CN2[C@@H](C)C[C@@H]2C)nc1 ZINC000791565877 585984220 /nfs/dbraw/zinc/98/42/20/585984220.db2.gz KHXIVFAMOXOMNL-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2C[C@H]21 ZINC000792266852 585998548 /nfs/dbraw/zinc/99/85/48/585998548.db2.gz AWZPUIGFHCIMGU-HBNTYKKESA-N 0 1 225.332 2.201 20 0 BEADMN CO[C@@H](CNCc1cnccc1C)C(F)(F)F ZINC000792975195 586007774 /nfs/dbraw/zinc/00/77/74/586007774.db2.gz UBQLKHHXGUPCFP-JTQLQIEISA-N 0 1 248.248 2.057 20 0 BEADMN Cc1ccnc(C2CCN(CC3(F)CC3)CC2)n1 ZINC000793075747 586009738 /nfs/dbraw/zinc/00/97/38/586009738.db2.gz BIZCTFHPUKNOTL-UHFFFAOYSA-N 0 1 249.333 2.467 20 0 BEADMN Cc1cc([C@H](C)NCc2ccoc2C)n(C)n1 ZINC000793530187 586021872 /nfs/dbraw/zinc/02/18/72/586021872.db2.gz WKYBXRANHFFKOY-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN O=C(NCCCc1ccccc1F)C(F)(F)F ZINC000794258188 586036416 /nfs/dbraw/zinc/03/64/16/586036416.db2.gz KFMHRULHQNBZFR-UHFFFAOYSA-N 0 1 249.207 2.437 20 0 BEADMN Cc1nc(CN2CCC(CC(C)C)CC2)n[nH]1 ZINC000794398757 586039181 /nfs/dbraw/zinc/03/91/81/586039181.db2.gz OBXURYJWKISYBE-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C(C)(C)C)n1 ZINC000795330796 586074891 /nfs/dbraw/zinc/07/48/91/586074891.db2.gz CBQUBCBLGPRDCJ-UHFFFAOYSA-N 0 1 225.292 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)C(C)(C)C)n[nH]1 ZINC000795330796 586074893 /nfs/dbraw/zinc/07/48/93/586074893.db2.gz CBQUBCBLGPRDCJ-UHFFFAOYSA-N 0 1 225.292 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H]2C[C@@H]2C2CC2)n1 ZINC000795455950 586079338 /nfs/dbraw/zinc/07/93/38/586079338.db2.gz GXAJXJAYNVMRRA-NXEZZACHSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000795455950 586079340 /nfs/dbraw/zinc/07/93/40/586079340.db2.gz GXAJXJAYNVMRRA-NXEZZACHSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H]2CC23CCC3)n1 ZINC000795458600 586080094 /nfs/dbraw/zinc/08/00/94/586080094.db2.gz MFYDOJHBCODJMZ-VIFPVBQESA-N 0 1 249.314 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H]2CC23CCC3)n[nH]1 ZINC000795458600 586080096 /nfs/dbraw/zinc/08/00/96/586080096.db2.gz MFYDOJHBCODJMZ-VIFPVBQESA-N 0 1 249.314 2.162 20 0 BEADMN Cc1nonc1CN(C1CCC1)C1CCC1 ZINC000795491918 586081424 /nfs/dbraw/zinc/08/14/24/586081424.db2.gz UVYWPWPEUMHVAT-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CC(C)(F)F)n1 ZINC000795550031 586084877 /nfs/dbraw/zinc/08/48/77/586084877.db2.gz QYFIANXJDIOKFE-UHFFFAOYSA-N 0 1 247.245 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)CC(C)(F)F)n[nH]1 ZINC000795550031 586084879 /nfs/dbraw/zinc/08/48/79/586084879.db2.gz QYFIANXJDIOKFE-UHFFFAOYSA-N 0 1 247.245 2.017 20 0 BEADMN CCOC1CC(N(C)Cc2ccnc(F)c2)C1 ZINC000859305580 589029934 /nfs/dbraw/zinc/02/99/34/589029934.db2.gz PAPJDQMMMRVAHA-UHFFFAOYSA-N 0 1 238.306 2.220 20 0 BEADMN CN(CCCCCF)[C@@H]1CC(C)(C)OC1=O ZINC000795652860 586089876 /nfs/dbraw/zinc/08/98/76/586089876.db2.gz ONOVOXJJTVMOOY-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN C[C@H](c1cccs1)N(C)CC[S@@](C)=O ZINC000798194077 586138504 /nfs/dbraw/zinc/13/85/04/586138504.db2.gz ULGGCKZHYFSMJW-YMTOWFKASA-N 0 1 231.386 2.119 20 0 BEADMN CC(C)[C@H](C(=O)OCCC(F)(F)F)N(C)C ZINC000798848288 586151641 /nfs/dbraw/zinc/15/16/41/586151641.db2.gz RWACLDPSFDANTP-MRVPVSSYSA-N 0 1 241.253 2.068 20 0 BEADMN CC(C)[C@H](C(=O)OCCC1(C)CC1)N(C)C ZINC000798861605 586151826 /nfs/dbraw/zinc/15/18/26/586151826.db2.gz MKFFINWTUTUDDH-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)CC1(CN2CCC(F)(F)CC2)CC1 ZINC000799321698 586171160 /nfs/dbraw/zinc/17/11/60/586171160.db2.gz BWSGUJZCEKSJTP-UHFFFAOYSA-N 0 1 247.285 2.061 20 0 BEADMN CSC1(COC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000799684674 586191810 /nfs/dbraw/zinc/19/18/10/586191810.db2.gz UJUZDVZORJNBFL-SNVBAGLBSA-N 0 1 245.388 2.011 20 0 BEADMN CC12CC(C1)CN2Cc1ccnc(F)c1 ZINC000859361839 589034213 /nfs/dbraw/zinc/03/42/13/589034213.db2.gz MVIAPAZHDUMPNU-UHFFFAOYSA-N 0 1 206.264 2.205 20 0 BEADMN FC(F)[C@@H]1CN(CC2CCCC2)CCO1 ZINC000801561853 586262363 /nfs/dbraw/zinc/26/23/63/586262363.db2.gz YOVZEQIMQAYCPZ-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN CC(C)CCN(CN1CC[C@@H](C)C1=O)C1CC1 ZINC000839957540 586295348 /nfs/dbraw/zinc/29/53/48/586295348.db2.gz FZGOQZZEUXUGHH-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN CCCCN(CC)CN1C[C@H](C)[C@H](C)C1=O ZINC000839958436 586295910 /nfs/dbraw/zinc/29/59/10/586295910.db2.gz JSSZHQLGLOLTBY-RYUDHWBXSA-N 0 1 226.364 2.180 20 0 BEADMN CCCN(CCC)CN1Cc2cccnc2C1=O ZINC000839961704 586302273 /nfs/dbraw/zinc/30/22/73/586302273.db2.gz XRCQVJZNCJHBGL-UHFFFAOYSA-N 0 1 247.342 2.117 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839974993 586309680 /nfs/dbraw/zinc/30/96/80/586309680.db2.gz NMATVUOPDVDBCK-QWHCGFSZSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1C(=O)N(CN2CCC(C)(C)CC2)C[C@H]1C ZINC000839987905 586331918 /nfs/dbraw/zinc/33/19/18/586331918.db2.gz SKBFQFGQWMXCDU-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H](C(=O)OC[C@H]1C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000859566775 589045409 /nfs/dbraw/zinc/04/54/09/589045409.db2.gz LXXSVVISMYKTDS-QNWJLWSRSA-N 0 1 239.359 2.447 20 0 BEADMN CC[C@@H](C(=O)OCCCCF)N(CC)CC ZINC000803362665 586347173 /nfs/dbraw/zinc/34/71/73/586347173.db2.gz MEZFDRIMUFUSGP-NSHDSACASA-N 0 1 233.327 2.400 20 0 BEADMN CC(C)[C@@H](C(=O)OCCCCF)N1CCCC1 ZINC000803362105 586347198 /nfs/dbraw/zinc/34/71/98/586347198.db2.gz VITUWEBEQVPEOM-LBPRGKRZSA-N 0 1 245.338 2.400 20 0 BEADMN CCN(CN1CCC(C)(C)C1=O)C1CCC1 ZINC000840000497 586353020 /nfs/dbraw/zinc/35/30/20/586353020.db2.gz QEQQJNFQWOWUBR-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN O=C(OCCCCF)c1ccc2cncn2c1 ZINC000803532263 586364685 /nfs/dbraw/zinc/36/46/85/586364685.db2.gz FXVNAWNOAKOQPZ-UHFFFAOYSA-N 0 1 236.246 2.241 20 0 BEADMN CCCCCC(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840005678 586365035 /nfs/dbraw/zinc/36/50/35/586365035.db2.gz ZNNBYWPBLHIBFN-MRVPVSSYSA-N 0 1 225.292 2.298 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C=Cc2ccco2)n[nH]1 ZINC000840010873 586366381 /nfs/dbraw/zinc/36/63/81/586366381.db2.gz IEHNIVFDAAXPFE-HQZHTGGTSA-N 0 1 247.254 2.024 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2cccs2)n[nH]1 ZINC000840012070 586367273 /nfs/dbraw/zinc/36/72/73/586367273.db2.gz OPDNOGBHYFNNCD-LURJTMIESA-N 0 1 237.284 2.093 20 0 BEADMN C[C@H](N(C)CN1C[C@@H](C)[C@H](C)C1=O)C1(C)CC1 ZINC000840024117 586383339 /nfs/dbraw/zinc/38/33/39/586383339.db2.gz ULLNDZDCTBSRJG-WOPDTQHZSA-N 0 1 238.375 2.179 20 0 BEADMN C[C@@H](N(C)CN1C[C@@H](C)[C@H](C)C1=O)C1(C)CC1 ZINC000840024111 586383401 /nfs/dbraw/zinc/38/34/01/586383401.db2.gz ULLNDZDCTBSRJG-GRYCIOLGSA-N 0 1 238.375 2.179 20 0 BEADMN C[C@H](N(C)CN1C(=O)[C@@H]2CCC[C@@H]21)C1(C)CC1 ZINC000840025419 586383942 /nfs/dbraw/zinc/38/39/42/586383942.db2.gz WYPWHQBCMPLPCG-TUAOUCFPSA-N 0 1 236.359 2.075 20 0 BEADMN CC1=C(C)CN(CN2C[C@H](C)[C@H](C)C2=O)CC1 ZINC000840063651 586413049 /nfs/dbraw/zinc/41/30/49/586413049.db2.gz YZMLVNARFWRORM-STQMWFEESA-N 0 1 236.359 2.100 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)CN1[C@H](C)CC[C@H]1C ZINC000859663025 589052675 /nfs/dbraw/zinc/05/26/75/589052675.db2.gz IEYGRNZSMUALGQ-DDHJBXDOSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1cnc(-c2nc([C@H](N)C(C)C)no2)c(C)c1 ZINC000843148630 586447943 /nfs/dbraw/zinc/44/79/43/586447943.db2.gz BPFYKAWFZATFNJ-SNVBAGLBSA-N 0 1 246.314 2.404 20 0 BEADMN CC1(C)CC(=O)N(CN2CCC3(CCC3)C2)C1 ZINC000808169620 586465999 /nfs/dbraw/zinc/46/59/99/586465999.db2.gz YPMFOEWNIPYXAC-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CSCCCN(C)CN1C(=O)CCC1(C)C ZINC000808184993 586467128 /nfs/dbraw/zinc/46/71/28/586467128.db2.gz VBTIAZPRALEMDX-UHFFFAOYSA-N 0 1 244.404 2.030 20 0 BEADMN Cn1cnc(CNC/C=C/c2ccccc2)c1 ZINC000808389208 586469997 /nfs/dbraw/zinc/46/99/97/586469997.db2.gz QHDTUWBHISOIJZ-VMPITWQZSA-N 0 1 227.311 2.223 20 0 BEADMN C[C@H]1Cc2ccccc2[C@H]1NCc1cn(C)cn1 ZINC000808389455 586470514 /nfs/dbraw/zinc/47/05/14/586470514.db2.gz RPTAXXBUAADLSE-NHYWBVRUSA-N 0 1 241.338 2.443 20 0 BEADMN Cn1cnc(CNCc2cccc3cc[nH]c32)c1 ZINC000808408885 586471591 /nfs/dbraw/zinc/47/15/91/586471591.db2.gz OMNILNNMSWXQMZ-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CCCc1ccc(CNCc2cnnn2C)cc1 ZINC000808436599 586472475 /nfs/dbraw/zinc/47/24/75/586472475.db2.gz LMGYGIBQKFTCAK-UHFFFAOYSA-N 0 1 244.342 2.057 20 0 BEADMN C[C@H](NCc1nccs1)[C@@H](O)c1ccccc1 ZINC000808447409 586472814 /nfs/dbraw/zinc/47/28/14/586472814.db2.gz ZENAOBQXOVRBCW-GXFFZTMASA-N 0 1 248.351 2.355 20 0 BEADMN CC(C)=CCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000808543148 586479164 /nfs/dbraw/zinc/47/91/64/586479164.db2.gz BBXBWAHKRWSEFI-TXEJJXNPSA-N 0 1 225.332 2.369 20 0 BEADMN CC(C)C(=O)CCN1CCOCC12CCCC2 ZINC000808742367 586486469 /nfs/dbraw/zinc/48/64/69/586486469.db2.gz RAGBDVQPAWKBLA-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@H](C)[C@H]1C ZINC000808749605 586487076 /nfs/dbraw/zinc/48/70/76/586487076.db2.gz BXMOJMZPMMAFAI-IJLUTSLNSA-N 0 1 227.348 2.099 20 0 BEADMN CCn1ccnc1S[C@@H](C)c1n[nH]c(C)n1 ZINC000840157994 586495051 /nfs/dbraw/zinc/49/50/51/586495051.db2.gz IJWBJVNLXSDBQU-ZETCQYMHSA-N 0 1 237.332 2.183 20 0 BEADMN CN(CN1C(=O)[C@@H]2CCC[C@@H]21)C1CC(C)(C)C1 ZINC000840162970 586500915 /nfs/dbraw/zinc/50/09/15/586500915.db2.gz BXKKABPADJSZPM-NEPJUHHUSA-N 0 1 236.359 2.075 20 0 BEADMN C[C@@H]1CN(CN(C)C2CC(C)(C)C2)C(=O)[C@H]1C ZINC000840163318 586501669 /nfs/dbraw/zinc/50/16/69/586501669.db2.gz HMISDDWHXWNVTF-MNOVXSKESA-N 0 1 238.375 2.179 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)C2CC(C)(C)C2)C1 ZINC000840164820 586502131 /nfs/dbraw/zinc/50/21/31/586502131.db2.gz VQUGLIYHZKYTQM-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN CCCON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000809373893 586504880 /nfs/dbraw/zinc/50/48/80/586504880.db2.gz AJFFRZPEYMGHFF-PHIMTYICSA-N 0 1 227.352 2.158 20 0 BEADMN Cc1ccncc1CCCNCc1cocn1 ZINC000809620267 586509620 /nfs/dbraw/zinc/50/96/20/586509620.db2.gz GWLZCXNOVUKJJH-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)C(C)(C)N1CCCC1 ZINC000859693002 589055353 /nfs/dbraw/zinc/05/53/53/589055353.db2.gz QTTJKLPWLJCJEJ-WDEREUQCSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1nonc1CNC[C@@H]1C(C)=CCC[C@@H]1C ZINC000809744718 586516460 /nfs/dbraw/zinc/51/64/60/586516460.db2.gz ZJRSCYXOLXEUNB-CMPLNLGQSA-N 0 1 235.331 2.460 20 0 BEADMN Cc1nonc1CNC[C@@H](C)c1ccc(F)cc1 ZINC000809745088 586516536 /nfs/dbraw/zinc/51/65/36/586516536.db2.gz MBSPAYWKSRHKMQ-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000809744410 586516739 /nfs/dbraw/zinc/51/67/39/586516739.db2.gz KERWGIMFIGBCJQ-VXGBXAGGSA-N 0 1 235.331 2.436 20 0 BEADMN Cc1ccc(CN2CCOCC[C@H]2C)cn1 ZINC000809763991 586518305 /nfs/dbraw/zinc/51/83/05/586518305.db2.gz BWUGHNXOWIHDBW-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(CN1CCOC1=S)C1CC(C)(C)C1 ZINC000840185597 586521723 /nfs/dbraw/zinc/52/17/23/586521723.db2.gz ZCQQGMVLWVZVAK-UHFFFAOYSA-N 0 1 242.388 2.072 20 0 BEADMN CN(Cc1cnn(C)n1)C1CCCCCCC1 ZINC000809938526 586524323 /nfs/dbraw/zinc/52/43/23/586524323.db2.gz CWXJSEIDQZRICI-UHFFFAOYSA-N 0 1 236.363 2.360 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1Cc1cnn(C)n1 ZINC000809948251 586525861 /nfs/dbraw/zinc/52/58/61/586525861.db2.gz BDDPCOANOPBUNN-WCQYABFASA-N 0 1 236.363 2.216 20 0 BEADMN CN(Cc1cnn(C)n1)C1CCC(C)(C)CC1 ZINC000809954033 586526161 /nfs/dbraw/zinc/52/61/61/586526161.db2.gz PCIZPTPGVALEQY-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1c[nH]nc1CNc1ccc2c(c1)CN(C)C2 ZINC000810149171 586535256 /nfs/dbraw/zinc/53/52/56/586535256.db2.gz ACDWYRDWMRMXKK-UHFFFAOYSA-N 0 1 242.326 2.276 20 0 BEADMN Cc1cc(CNC(=O)C2(F)CCCCC2)n[nH]1 ZINC000810402434 586538812 /nfs/dbraw/zinc/53/88/12/586538812.db2.gz JFNUZLBHPAZLIS-UHFFFAOYSA-N 0 1 239.294 2.007 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC000840226577 586556213 /nfs/dbraw/zinc/55/62/13/586556213.db2.gz YNALBONUPVFGPH-SFYZADRCSA-N 0 1 237.303 2.154 20 0 BEADMN Cc1nonc1CNC[C@H]1CC(C)=C[C@H](C)C1 ZINC000811507267 586560523 /nfs/dbraw/zinc/56/05/23/586560523.db2.gz WQHPQEVUYGVQSK-JOYOIKCWSA-N 0 1 235.331 2.460 20 0 BEADMN CCCC1(C(=O)O[C@H](C)c2n[nH]c(C)n2)CC1 ZINC000840293927 586605624 /nfs/dbraw/zinc/60/56/24/586605624.db2.gz PRJYUTDGOJOEGI-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN CCC(CC)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000814179651 586616048 /nfs/dbraw/zinc/61/60/48/586616048.db2.gz FVPIUYIQPHLHLV-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2cc(C)c(C)o2)n[nH]1 ZINC000840323313 586622660 /nfs/dbraw/zinc/62/26/60/586622660.db2.gz LAQBTRPXTJSJKX-MRVPVSSYSA-N 0 1 249.270 2.241 20 0 BEADMN CC(C)CC1(CNCc2cnn(C)n2)CCC1 ZINC000815130147 586669056 /nfs/dbraw/zinc/66/90/56/586669056.db2.gz UKRFXCCIIRBXRL-UHFFFAOYSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@H](CCNCc1cnn(C)n1)CC(C)(C)C ZINC000815136761 586669842 /nfs/dbraw/zinc/66/98/42/586669842.db2.gz NDHXXROMPBKRLY-LLVKDONJSA-N 0 1 238.379 2.367 20 0 BEADMN CCOCC(C)(C)NCc1nc2ccccc2[nH]1 ZINC000815147431 586670568 /nfs/dbraw/zinc/67/05/68/586670568.db2.gz AFBVCXXLVUSYNI-UHFFFAOYSA-N 0 1 247.342 2.468 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1ccc2c(c1)OCCO2 ZINC000815164540 586672150 /nfs/dbraw/zinc/67/21/50/586672150.db2.gz XWPYXDOBNNZNLD-WDEREUQCSA-N 0 1 233.311 2.298 20 0 BEADMN O=C(Nc1cnoc1)c1sccc1F ZINC000815186184 586673203 /nfs/dbraw/zinc/67/32/03/586673203.db2.gz YSDFCDFHDTWXQI-UHFFFAOYSA-N 0 1 212.205 2.128 20 0 BEADMN CCCCCCN1CCO[C@H](COCC)C1 ZINC000859770730 589059801 /nfs/dbraw/zinc/05/98/01/589059801.db2.gz TWRNHPQWJIDXAF-ZDUSSCGKSA-N 0 1 229.364 2.304 20 0 BEADMN CC[C@H](NC(=O)C(C)(F)F)C(F)(F)F ZINC000816409182 586725441 /nfs/dbraw/zinc/72/54/41/586725441.db2.gz CXKIJCZDLYJQAR-BYPYZUCNSA-N 0 1 219.153 2.099 20 0 BEADMN Cc1ccc(COC(=O)[C@H](C(C)C)N(C)C)o1 ZINC000816429602 586730749 /nfs/dbraw/zinc/73/07/49/586730749.db2.gz KYCPQARJYMMEMX-LBPRGKRZSA-N 0 1 239.315 2.217 20 0 BEADMN C[C@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000816480173 586736061 /nfs/dbraw/zinc/73/60/61/586736061.db2.gz FPARZWRXKWLWFF-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C)c2Cl)C[C@H]1C ZINC000816513670 586738336 /nfs/dbraw/zinc/73/83/36/586738336.db2.gz YGCMRIBRRHVFEO-RKDXNWHRSA-N 0 1 227.739 2.161 20 0 BEADMN CSCCNCc1c(F)ccc(O)c1F ZINC000816529048 586739184 /nfs/dbraw/zinc/73/91/84/586739184.db2.gz DWAZLCVIWBVWLU-UHFFFAOYSA-N 0 1 233.283 2.123 20 0 BEADMN CC1=CC[C@H](N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000816591870 586742920 /nfs/dbraw/zinc/74/29/20/586742920.db2.gz QIOKGRNJRUKOJH-QWRGUYRKSA-N 0 1 247.346 2.157 20 0 BEADMN C[C@@H]1CN(Cc2n[nH]c3ccccc32)[C@H]1C ZINC000816647837 586749842 /nfs/dbraw/zinc/74/98/42/586749842.db2.gz YUUGYJSHNAEBHY-ZJUUUORDSA-N 0 1 215.300 2.403 20 0 BEADMN COc1cc(CN2C[C@H](C)[C@H]2C)cc2c1OCO2 ZINC000816648316 586750164 /nfs/dbraw/zinc/75/01/64/586750164.db2.gz IRTADQGSCCTTCM-VHSXEESVSA-N 0 1 249.310 2.264 20 0 BEADMN C[C@@H](NC(=O)C=C1CC[C@H](C)C1)c1ncc[nH]1 ZINC000816719177 586760037 /nfs/dbraw/zinc/76/00/37/586760037.db2.gz RNCUQQQGLZHNIJ-FVMLCQCVSA-N 0 1 233.315 2.333 20 0 BEADMN CC[C@@H](C)CONC(=O)c1ccc(O)c(F)c1 ZINC000816975547 586775717 /nfs/dbraw/zinc/77/57/17/586775717.db2.gz JYGPTFNBUOWSBV-MRVPVSSYSA-N 0 1 241.262 2.239 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCF ZINC000817279690 586792682 /nfs/dbraw/zinc/79/26/82/586792682.db2.gz SJHYSWNXZJXACZ-WDEREUQCSA-N 0 1 245.338 2.398 20 0 BEADMN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCF)C1 ZINC000817288629 586792737 /nfs/dbraw/zinc/79/27/37/586792737.db2.gz JUIRZORBLVEPGH-QWRGUYRKSA-N 0 1 245.338 2.256 20 0 BEADMN COC1([C@H](C)N[C@@H]2CCn3ccnc32)CCCC1 ZINC000817584650 586812624 /nfs/dbraw/zinc/81/26/24/586812624.db2.gz FOEQJDXALFYIKV-NWDGAFQWSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@@H](CN(C)[C@H]1CCOC1=O)C1CCCCC1 ZINC000859864119 589067549 /nfs/dbraw/zinc/06/75/49/589067549.db2.gz MYWXNUYDHIXPSJ-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817792032 586828005 /nfs/dbraw/zinc/82/80/05/586828005.db2.gz YNIFITISJMBXOG-ONGXEEELSA-N 0 1 237.274 2.088 20 0 BEADMN CCc1cc(CNCc2cncn2C(C)C)[nH]n1 ZINC000818186107 586878756 /nfs/dbraw/zinc/87/87/56/586878756.db2.gz BBEFVDVRBYZXKF-UHFFFAOYSA-N 0 1 247.346 2.039 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC[C@H]2C(C)C)n1 ZINC000818344875 586886417 /nfs/dbraw/zinc/88/64/17/586886417.db2.gz HRFCCNGUIMDYAL-RYUDHWBXSA-N 0 1 236.363 2.131 20 0 BEADMN C[C@H]1CN(C(=O)C=C2CCCCC2)C[C@H](C)N1 ZINC000818554262 586900107 /nfs/dbraw/zinc/90/01/07/586900107.db2.gz QMBFGQLWVQMMHD-RYUDHWBXSA-N 0 1 236.359 2.086 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818626201 586907784 /nfs/dbraw/zinc/90/77/84/586907784.db2.gz NYZXRUNVGYVHRC-LKUCSHHGSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000818978067 586916435 /nfs/dbraw/zinc/91/64/35/586916435.db2.gz PZYHJBJFPZTXOQ-YLSINNKHSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cc(CNC[C@H](O)c2ccccc2C)on1 ZINC000818978015 586918715 /nfs/dbraw/zinc/91/87/15/586918715.db2.gz CREKBNKKPNQFKY-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1cc(CNC[C@@H](O)c2ccc(C)cc2)on1 ZINC000818978342 586918731 /nfs/dbraw/zinc/91/87/31/586918731.db2.gz HGUFQROLOXPEAP-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN CC(C)c1csc(CNC[C@@H](O)C2CC2)n1 ZINC000819171371 586934853 /nfs/dbraw/zinc/93/48/53/586934853.db2.gz VWHCDTQXFAVZOH-LLVKDONJSA-N 0 1 240.372 2.127 20 0 BEADMN OC1(CNCc2c(F)cc(F)cc2F)CCC1 ZINC000819333500 586952959 /nfs/dbraw/zinc/95/29/59/586952959.db2.gz MGWVTIUIDWBHQF-UHFFFAOYSA-N 0 1 245.244 2.109 20 0 BEADMN Cc1ncc(CNC[C@@H](O)c2ccc(C)cc2)o1 ZINC000819363586 586956877 /nfs/dbraw/zinc/95/68/77/586956877.db2.gz JPOARLIXJFKBCR-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN CN(C)c1ccnc(NC(=O)C(F)=C2CCC2)c1 ZINC000819491212 586969868 /nfs/dbraw/zinc/96/98/68/586969868.db2.gz ACGDTCPLKAHNST-UHFFFAOYSA-N 0 1 249.289 2.494 20 0 BEADMN C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)[O-] ZINC000819726846 586988744 /nfs/dbraw/zinc/98/87/44/586988744.db2.gz UCYXEPXSURYNBM-DHZHZOJOSA-N 0 1 219.284 2.106 20 0 BEADMN CCCC(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC000819952032 587005848 /nfs/dbraw/zinc/00/58/48/587005848.db2.gz YGOSEQOHNAIJOW-UHFFFAOYSA-N 0 1 234.255 2.191 20 0 BEADMN CCC1(C)CN(C(=O)c2cccc(F)c2O)C1 ZINC000819968314 587008530 /nfs/dbraw/zinc/00/85/30/587008530.db2.gz CWTTXQDWKWLYBF-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)CN2CCCC2)C1 ZINC000820211163 587035217 /nfs/dbraw/zinc/03/52/17/587035217.db2.gz XVDAWNASXQQWNX-OLZOCXBDSA-N 0 1 238.375 2.167 20 0 BEADMN CCC(CC)(CC)NC(=O)CN1CCCC1 ZINC000820252361 587038453 /nfs/dbraw/zinc/03/84/53/587038453.db2.gz DEAMYKBFEXAKDB-UHFFFAOYSA-N 0 1 226.364 2.167 20 0 BEADMN C[C@@H](F)CCNC(=O)c1cccc(F)c1O ZINC000820629270 587060235 /nfs/dbraw/zinc/06/02/35/587060235.db2.gz BITAVOPUXLPRRA-SSDOTTSWSA-N 0 1 229.226 2.009 20 0 BEADMN CC(C)C1(NC(=O)c2cccc(F)c2O)CC1 ZINC000820637970 587060362 /nfs/dbraw/zinc/06/03/62/587060362.db2.gz RKCMCKUWMLMQQW-UHFFFAOYSA-N 0 1 237.274 2.450 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H](C)N1C ZINC000820688160 587066170 /nfs/dbraw/zinc/06/61/70/587066170.db2.gz LQKSYBCIAGLQMM-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CC1(CNC(=O)CN2CCCC2)CC1 ZINC000820763310 587070889 /nfs/dbraw/zinc/07/08/89/587070889.db2.gz MJCWINCJGANHQH-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000820824211 587075001 /nfs/dbraw/zinc/07/50/01/587075001.db2.gz DMZGVHMUTPHDFL-ZDUSSCGKSA-N 0 1 238.375 2.121 20 0 BEADMN COc1ccccc1/C=C/C[N@@H+](C)CCC(=O)[O-] ZINC000820876606 587078957 /nfs/dbraw/zinc/07/89/57/587078957.db2.gz RZVPPQBUZJNSAJ-FNORWQNLSA-N 0 1 249.310 2.115 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])C(C)C)c(C)o1 ZINC000820976374 587085345 /nfs/dbraw/zinc/08/53/45/587085345.db2.gz CZZAQBPBDODXLP-UHFFFAOYSA-N 0 1 225.288 2.191 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ncccc1C(C)C ZINC000821245695 587103523 /nfs/dbraw/zinc/10/35/23/587103523.db2.gz FXRUXVKBBNDURQ-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000840460324 587105343 /nfs/dbraw/zinc/10/53/43/587105343.db2.gz QXLXCAPWDYDLNX-SFGNSQDASA-N 0 1 237.303 2.009 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2C[C@H]2C(C)C)n[nH]1 ZINC000840460323 587105716 /nfs/dbraw/zinc/10/57/16/587105716.db2.gz QXLXCAPWDYDLNX-HGNGGELXSA-N 0 1 237.303 2.009 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000821527874 587122428 /nfs/dbraw/zinc/12/24/28/587122428.db2.gz NLHJSIFLLCBZMV-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000821523973 587125152 /nfs/dbraw/zinc/12/51/52/587125152.db2.gz TWQUYKPHBUJKDW-CYBMUJFWSA-N 0 1 233.311 2.168 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000821524199 587125367 /nfs/dbraw/zinc/12/53/67/587125367.db2.gz OZXZZRCTFOLESF-LBPRGKRZSA-N 0 1 234.299 2.083 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC000821913467 587146537 /nfs/dbraw/zinc/14/65/37/587146537.db2.gz XLNVVTIVOHVZTO-ZDUSSCGKSA-N 0 1 238.375 2.263 20 0 BEADMN O=C(CN1CCCC1)Nc1cccc2cc[nH]c21 ZINC000822062012 587150928 /nfs/dbraw/zinc/15/09/28/587150928.db2.gz FKJHJQDCQKMYKO-UHFFFAOYSA-N 0 1 243.310 2.202 20 0 BEADMN C[C@@]1(COC(=O)c2ccc3cncn3c2)C[C@@H]1F ZINC000822138528 587156295 /nfs/dbraw/zinc/15/62/95/587156295.db2.gz MGPARODNBMNTHF-AAEUAGOBSA-N 0 1 248.257 2.239 20 0 BEADMN CCC1CN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000822306362 587161473 /nfs/dbraw/zinc/16/14/73/587161473.db2.gz KKYXAIHZQIYORY-UHFFFAOYSA-N 0 1 241.237 2.152 20 0 BEADMN CN(C(=O)CN1CCCC1)[C@H]1CCC(C)(C)C1 ZINC000822603549 587176985 /nfs/dbraw/zinc/17/69/85/587176985.db2.gz WRUGQCYYQMZFJM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000840473163 587181042 /nfs/dbraw/zinc/18/10/42/587181042.db2.gz RCGUAKITSBOMIS-KOLCDFICSA-N 0 1 249.314 2.464 20 0 BEADMN CC(C)(C)CCc1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000823189758 587207519 /nfs/dbraw/zinc/20/75/19/587207519.db2.gz PDMILBIGYBOCTB-BBBLOLIVSA-N 0 1 235.331 2.471 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(C)C[C@@H]1CC ZINC000823196706 587208342 /nfs/dbraw/zinc/20/83/42/587208342.db2.gz BLDGFXXBDAHWOV-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1CN(C)CCN1C/C(Cl)=C/Cl ZINC000823195443 587208370 /nfs/dbraw/zinc/20/83/70/587208370.db2.gz YDTOWTMGQMTNMB-MBACFSSFSA-N 0 1 237.174 2.331 20 0 BEADMN CCc1cc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)n[nH]1 ZINC000823286141 587213400 /nfs/dbraw/zinc/21/34/00/587213400.db2.gz CULHLTIFUQBUSP-HZMBPMFUSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)[C@]2(C)CCC[C@@H]2C)n[nH]1 ZINC000823286142 587213433 /nfs/dbraw/zinc/21/34/33/587213433.db2.gz CULHLTIFUQBUSP-IINYFYTJSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC[C@@H]2CC)n[nH]1 ZINC000823286112 587213680 /nfs/dbraw/zinc/21/36/80/587213680.db2.gz BXGYTPPYQMSQCI-GWCFXTLKSA-N 0 1 249.358 2.415 20 0 BEADMN CC[C@H]1CCCN(Cc2nn(CC)nc2C)C1 ZINC000823409369 587219271 /nfs/dbraw/zinc/21/92/71/587219271.db2.gz YVZSMAQALVXKQT-LBPRGKRZSA-N 0 1 236.363 2.228 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000823418101 587220893 /nfs/dbraw/zinc/22/08/93/587220893.db2.gz BVFOKIKHEDSRSY-TZMCWYRMSA-N 0 1 248.374 2.371 20 0 BEADMN CCN(Cc1nn(CC)nc1C)[C@@H](C)C(C)C ZINC000823423829 587221426 /nfs/dbraw/zinc/22/14/26/587221426.db2.gz OZZZANJMNUPVEC-LBPRGKRZSA-N 0 1 238.379 2.473 20 0 BEADMN CCn1nc(C)c(CN2CC[C@H](C(C)C)C2)n1 ZINC000823481459 587225769 /nfs/dbraw/zinc/22/57/69/587225769.db2.gz APVHNONIVWIBHE-LBPRGKRZSA-N 0 1 236.363 2.084 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)CN1CCCC1 ZINC000823492865 587227165 /nfs/dbraw/zinc/22/71/65/587227165.db2.gz ATZIUCFEHZAHRP-OCCSQVGLSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@]1(C)C=CCC1 ZINC000823635316 587233671 /nfs/dbraw/zinc/23/36/71/587233671.db2.gz WUFVHVAXMPKRID-CYBMUJFWSA-N 0 1 233.315 2.033 20 0 BEADMN Fc1cc(CNCCOC2CCC2)c(F)cn1 ZINC000823956665 587247010 /nfs/dbraw/zinc/24/70/10/587247010.db2.gz WJGVYCINRCVAQV-UHFFFAOYSA-N 0 1 242.269 2.019 20 0 BEADMN CCC/C=C\C(=O)N(C)Cc1cn[nH]c1C ZINC000824050337 587251690 /nfs/dbraw/zinc/25/16/90/587251690.db2.gz BKZFZAJJMDGMDZ-SREVYHEPSA-N 0 1 221.304 2.033 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C1\CC[C@H](C)C1 ZINC000824050904 587251928 /nfs/dbraw/zinc/25/19/28/587251928.db2.gz LPYMCKSNNACCFN-QVIVLVACSA-N 0 1 247.342 2.423 20 0 BEADMN CC(C)[C@@H](CC[N@@H+](C)C/C=C\Cl)NC(=O)[O-] ZINC000824098682 587255570 /nfs/dbraw/zinc/25/55/70/587255570.db2.gz KXDNTTOFCDDGID-AYYIZTPMSA-N 0 1 248.754 2.353 20 0 BEADMN CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824256890 587263665 /nfs/dbraw/zinc/26/36/65/587263665.db2.gz JQLLGJMGCSQHKD-QWRGUYRKSA-N 0 1 228.336 2.011 20 0 BEADMN C/C=C(/CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840486119 587264881 /nfs/dbraw/zinc/26/48/81/587264881.db2.gz GVENWUTUJHDBFX-WVXOVRIESA-N 0 1 223.276 2.074 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nn(CC)nc1C ZINC000824395647 587268979 /nfs/dbraw/zinc/26/89/79/587268979.db2.gz IBUCDTFEJUWMKG-JQWIXIFHSA-N 0 1 236.363 2.369 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1ccnc(Cl)c1F ZINC000824414535 587269376 /nfs/dbraw/zinc/26/93/76/587269376.db2.gz CDXRFBQVHCEEFC-HTQZYQBOSA-N 0 1 246.713 2.387 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1F ZINC000824414536 587269630 /nfs/dbraw/zinc/26/96/30/587269630.db2.gz CDXRFBQVHCEEFC-SFYZADRCSA-N 0 1 246.713 2.387 20 0 BEADMN CC(C)(C)OC1CC(N[C@@H]2CCn3ccnc32)C1 ZINC000824526360 587273319 /nfs/dbraw/zinc/27/33/19/587273319.db2.gz JXHZLDRIBRZFEF-HTAVTVPLSA-N 0 1 249.358 2.264 20 0 BEADMN CCC1(NCc2cn(-c3ccccc3)nn2)CC1 ZINC000824620433 587279736 /nfs/dbraw/zinc/27/97/36/587279736.db2.gz OIEBFVYBABEVDG-UHFFFAOYSA-N 0 1 242.326 2.300 20 0 BEADMN CC/C=C\CNCc1cnc([C@H](C)O)s1 ZINC000824709130 587284020 /nfs/dbraw/zinc/28/40/20/587284020.db2.gz NGXQPDGHXVIMFT-WBSSQXGSSA-N 0 1 226.345 2.252 20 0 BEADMN Cn1ccnc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000824765270 587286644 /nfs/dbraw/zinc/28/66/44/587286644.db2.gz IZJKRAAWBTVQPL-SECBINFHSA-N 0 1 248.157 2.094 20 0 BEADMN CC(C)=CCN1CCN(c2cccc(F)n2)CC1 ZINC000824815496 587288526 /nfs/dbraw/zinc/28/85/26/587288526.db2.gz RCDCZBBLIGFTSU-UHFFFAOYSA-N 0 1 249.333 2.309 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1cc(F)cc(F)c1O ZINC000824957534 587294925 /nfs/dbraw/zinc/29/49/25/587294925.db2.gz OGBHQERRNSMLTG-MRVPVSSYSA-N 0 1 239.221 2.119 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825039544 587300151 /nfs/dbraw/zinc/30/01/51/587300151.db2.gz SXEZFQPIDUKCEJ-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CCC(C)(C)[N@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825039544 587300156 /nfs/dbraw/zinc/30/01/56/587300156.db2.gz SXEZFQPIDUKCEJ-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825039544 587300158 /nfs/dbraw/zinc/30/01/58/587300158.db2.gz SXEZFQPIDUKCEJ-UHFFFAOYSA-N 0 1 249.318 2.080 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000825061473 587301971 /nfs/dbraw/zinc/30/19/71/587301971.db2.gz HCJGTNJQFPWIKH-JGPRNRPPSA-N 0 1 238.331 2.283 20 0 BEADMN CC1(C)COC[C@H]1NCc1cccnc1Cl ZINC000825091182 587303689 /nfs/dbraw/zinc/30/36/89/587303689.db2.gz VSWRULVMXLNICV-SNVBAGLBSA-N 0 1 240.734 2.250 20 0 BEADMN C[C@H](C(=O)N(C)c1cccc2cc[nH]c21)N(C)C ZINC000825280147 587312940 /nfs/dbraw/zinc/31/29/40/587312940.db2.gz UDLCEVWALMXLHC-SNVBAGLBSA-N 0 1 245.326 2.081 20 0 BEADMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(F)nc1 ZINC000825294733 587313525 /nfs/dbraw/zinc/31/35/25/587313525.db2.gz XMGXUWVVDIYUJZ-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccc(F)nc1 ZINC000825294733 587313527 /nfs/dbraw/zinc/31/35/27/587313527.db2.gz XMGXUWVVDIYUJZ-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)N(Cc1cnn(C)n1)C1CC(C)(C)C1 ZINC000825332399 587315202 /nfs/dbraw/zinc/31/52/02/587315202.db2.gz WJKCDIMEABXTNS-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN C/C(=C/C[N@H+](C)C(C1CC1)C1CC1)C(=O)[O-] ZINC000825730013 587333896 /nfs/dbraw/zinc/33/38/96/587333896.db2.gz PSYYHHUPZRNYQI-CLFYSBASSA-N 0 1 223.316 2.138 20 0 BEADMN C/C(=C/C[N@H+](C)C1Cc2ccccc2C1)C(=O)[O-] ZINC000825729149 587334340 /nfs/dbraw/zinc/33/43/40/587334340.db2.gz ATKXSIYNIVSXFN-XFFZJAGNSA-N 0 1 245.322 2.117 20 0 BEADMN C/C(=C/C[N@@H+](Cc1ccccn1)C(C)C)C(=O)[O-] ZINC000825729955 587334525 /nfs/dbraw/zinc/33/45/25/587334525.db2.gz OJKSYQQTZGXKLP-GHXNOFRVSA-N 0 1 248.326 2.323 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736217 587335778 /nfs/dbraw/zinc/33/57/78/587335778.db2.gz WJBLDFYAXXBFPE-VDBIKXPHSA-N 0 1 245.322 2.334 20 0 BEADMN C[C@@H]1C[C@H](NC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825843490 587341025 /nfs/dbraw/zinc/34/10/25/587341025.db2.gz AHFVFEQPSWLWSQ-DGCLKSJQSA-N 0 1 248.326 2.307 20 0 BEADMN FCC(CF)N[C@@H]1CCCSCC1 ZINC000826029720 587348856 /nfs/dbraw/zinc/34/88/56/587348856.db2.gz JXEYGEAADXBJMY-MRVPVSSYSA-N 0 1 209.305 2.169 20 0 BEADMN CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)[O-] ZINC000826639219 587357445 /nfs/dbraw/zinc/35/74/45/587357445.db2.gz LSWKXBUEYMOPFP-GFCCVEGCSA-N 0 1 236.315 2.337 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000826660101 587358253 /nfs/dbraw/zinc/35/82/53/587358253.db2.gz IUVJMFCHTNYACJ-QJPTWQEYSA-N 0 1 240.347 2.107 20 0 BEADMN CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000826819095 587363149 /nfs/dbraw/zinc/36/31/49/587363149.db2.gz AIVQMHWRUNWMPX-NSHDSACASA-N 0 1 228.336 2.299 20 0 BEADMN CCc1oc(CN[C@H]2C=CCC2)cc1C(=O)OC ZINC000826940711 587366343 /nfs/dbraw/zinc/36/63/43/587366343.db2.gz FKELFEAEFYXHRK-JTQLQIEISA-N 0 1 249.310 2.437 20 0 BEADMN c1c(CN2CCCCCCC2)nnn1CC1CC1 ZINC000827294567 587375856 /nfs/dbraw/zinc/37/58/56/587375856.db2.gz FXQVFMWHVJDWGJ-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN C[S@@](=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000827406438 587380318 /nfs/dbraw/zinc/38/03/18/587380318.db2.gz LBZJSWACUBDANN-IAQYHMDHSA-N 0 1 243.397 2.264 20 0 BEADMN CCCC[C@](C)(F)C(=O)NCc1cc(C)[nH]n1 ZINC000827687957 587396633 /nfs/dbraw/zinc/39/66/33/587396633.db2.gz WXSCGPNSYYUHRW-LBPRGKRZSA-N 0 1 241.310 2.253 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CCSC[C@H]1C ZINC000827930189 587410481 /nfs/dbraw/zinc/41/04/81/587410481.db2.gz HXKVXTOEOFTDHX-LLVKDONJSA-N 0 1 229.389 2.429 20 0 BEADMN CC(C)CC(=O)CCN1CCSC[C@H]1C ZINC000827930189 587410482 /nfs/dbraw/zinc/41/04/82/587410482.db2.gz HXKVXTOEOFTDHX-LLVKDONJSA-N 0 1 229.389 2.429 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCC[C@H]2CCOC2)n1 ZINC000828127214 587420004 /nfs/dbraw/zinc/42/00/04/587420004.db2.gz GWSBLQJMEPCTFH-QWHCGFSZSA-N 0 1 249.358 2.363 20 0 BEADMN C[N@@H+](C/C=C/Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828267682 587429540 /nfs/dbraw/zinc/42/95/40/587429540.db2.gz XXSSHDJQISKAMZ-FARCUNLSSA-N 0 1 246.738 2.250 20 0 BEADMN C/C=C/C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000828373665 587438963 /nfs/dbraw/zinc/43/89/63/587438963.db2.gz YCNZQVBNMXRXQA-ONEGZZNKSA-N 0 1 233.315 2.000 20 0 BEADMN CC(C)CC(=O)CCN1CC(C)(C)OC[C@@H]1C ZINC000828420735 587441454 /nfs/dbraw/zinc/44/14/54/587441454.db2.gz MONLYJMNJIFMIM-LBPRGKRZSA-N 0 1 241.375 2.491 20 0 BEADMN CC[C@@](C)(CC(=O)[O-])[NH2+]CC(F)(F)C(F)F ZINC000828658378 587455951 /nfs/dbraw/zinc/45/59/51/587455951.db2.gz USNOZJTZQODSSI-QMMMGPOBSA-N 0 1 245.216 2.120 20 0 BEADMN CC(C)COC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829016670 587480028 /nfs/dbraw/zinc/48/00/28/587480028.db2.gz DLQJKPRMDSIBLA-STQMWFEESA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)COC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000829016670 587480029 /nfs/dbraw/zinc/48/00/29/587480029.db2.gz DLQJKPRMDSIBLA-STQMWFEESA-N 0 1 239.359 2.450 20 0 BEADMN CCC[N@H+](CC(=O)[O-])Cc1cnc(CC)s1 ZINC000829475780 587500008 /nfs/dbraw/zinc/50/00/08/587500008.db2.gz AOXWADMYQOKEMV-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cnc(CC)s1 ZINC000829475780 587500010 /nfs/dbraw/zinc/50/00/10/587500010.db2.gz AOXWADMYQOKEMV-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N[C@H]1CCCN(C)C1 ZINC000830151411 587539026 /nfs/dbraw/zinc/53/90/26/587539026.db2.gz WGQODYBBKGNTBU-RYUDHWBXSA-N 0 1 242.363 2.241 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000830163632 587539759 /nfs/dbraw/zinc/53/97/59/587539759.db2.gz BGARRJZKSFHBQX-SDKXAQGSSA-N 0 1 245.388 2.481 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)cc1 ZINC000830308482 587545141 /nfs/dbraw/zinc/54/51/41/587545141.db2.gz KDPSBANSUUGELK-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN CN(CC(=O)OCc1ccccc1)C(C)(C)C ZINC000830546331 587557089 /nfs/dbraw/zinc/55/70/89/587557089.db2.gz VZLPGNZVVMGHAD-UHFFFAOYSA-N 0 1 235.327 2.460 20 0 BEADMN COc1ccc(C[N@@H+](C)C(C)(C)C)nc1 ZINC000830553039 587557633 /nfs/dbraw/zinc/55/76/33/587557633.db2.gz AWNQFNRFTMAGSM-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830573110 587559215 /nfs/dbraw/zinc/55/92/15/587559215.db2.gz BEJVTGSLJVTOIO-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000830573111 587559251 /nfs/dbraw/zinc/55/92/51/587559251.db2.gz BEJVTGSLJVTOIO-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1ccc[nH+]c1NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000830595569 587559498 /nfs/dbraw/zinc/55/94/98/587559498.db2.gz PYUQVFXSZZWFCH-LLVKDONJSA-N 0 1 249.314 2.192 20 0 BEADMN Cc1ccc[nH+]c1NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830595570 587559587 /nfs/dbraw/zinc/55/95/87/587559587.db2.gz PYUQVFXSZZWFCH-NSHDSACASA-N 0 1 249.314 2.192 20 0 BEADMN C[N@@H+](Cc1cccc(Cl)n1)C(C)(C)C(=O)[O-] ZINC000830844863 587573920 /nfs/dbraw/zinc/57/39/20/587573920.db2.gz KYDABGHOGUPYMA-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)CCCCCC(=O)N1CCN[C@H](C)C1 ZINC000831578926 587619976 /nfs/dbraw/zinc/61/99/76/587619976.db2.gz VHDGGKJDQMFDDU-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN C[N@@H+](C/C=C\Cl)[C@H](CO)CC(C)(C)C ZINC000832085077 587644741 /nfs/dbraw/zinc/64/47/41/587644741.db2.gz PPJPMUTXWJDZQJ-OMMCCPJFSA-N 0 1 219.756 2.468 20 0 BEADMN Cc1nc(CN(c2ccccc2)C2CC2)n[nH]1 ZINC000832160027 587647013 /nfs/dbraw/zinc/64/70/13/587647013.db2.gz ARSZQSXABKBGKY-UHFFFAOYSA-N 0 1 228.299 2.282 20 0 BEADMN CCn1cc([C@@H](C)NC/C=C/Cl)cn1 ZINC000832310541 587653579 /nfs/dbraw/zinc/65/35/79/587653579.db2.gz UCXOIXDEWCMOOM-XNPJLODASA-N 0 1 213.712 2.306 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)OC(C)(C)C ZINC000832415905 587659124 /nfs/dbraw/zinc/65/91/24/587659124.db2.gz XJVDYDMSNHSYBQ-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN Cc1nonc1CN1[C@@H](C)CCC1(C)C ZINC000832564612 587666958 /nfs/dbraw/zinc/66/69/58/587666958.db2.gz IALSAJZWBHIJBL-QMMMGPOBSA-N 0 1 209.293 2.141 20 0 BEADMN CC1(C)CN(C/C=C\Cl)[C@@H]2COC[C@@H]21 ZINC000832768621 587687815 /nfs/dbraw/zinc/68/78/15/587687815.db2.gz IXDSOKCRFQJDIW-RWCMCFKCSA-N 0 1 215.724 2.096 20 0 BEADMN C/C(=C\C[N@H+]1CCc2ccc(F)cc2C1)C(=O)[O-] ZINC000833381928 587711647 /nfs/dbraw/zinc/71/16/47/587711647.db2.gz FTMYDURGAWQNHC-ONNFQVAWSA-N 0 1 249.285 2.215 20 0 BEADMN C/C(=C/C[N@@H+](Cc1ccncc1)C1CC1)C(=O)[O-] ZINC000833382105 587711803 /nfs/dbraw/zinc/71/18/03/587711803.db2.gz GXNGGDOXBKZAET-WDZFZDKYSA-N 0 1 246.310 2.077 20 0 BEADMN C/C(=C\C[N@@H+](Cc1ccncc1)C1CC1)C(=O)[O-] ZINC000833382103 587711968 /nfs/dbraw/zinc/71/19/68/587711968.db2.gz GXNGGDOXBKZAET-IZZDOVSWSA-N 0 1 246.310 2.077 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)c1cccnc1)C(=O)[O-] ZINC000833381850 587712080 /nfs/dbraw/zinc/71/20/80/587712080.db2.gz FLSOJIOSSOUUHO-CDCCAWJDSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C/c1ccccc1)C[N@@H+](C)CCC(=O)[O-] ZINC000833385025 587712266 /nfs/dbraw/zinc/71/22/66/587712266.db2.gz FEYWJAAQCFTQHZ-BENRWUELSA-N 0 1 233.311 2.496 20 0 BEADMN C[C@@H](C[N@@H+](Cc1cccc(O)c1)C1CC1)C(=O)[O-] ZINC000833516545 587718479 /nfs/dbraw/zinc/71/84/79/587718479.db2.gz OXRDTOQJMYBBFH-JTQLQIEISA-N 0 1 249.310 2.077 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833559834 587720150 /nfs/dbraw/zinc/72/01/50/587720150.db2.gz APIFIPIYFHIPAL-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833601403 587723530 /nfs/dbraw/zinc/72/35/30/587723530.db2.gz BKEZBYQBICOUSC-DTORHVGOSA-N 0 1 222.288 2.086 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ccoc2C(=O)[O-])C[C@@H]1F ZINC000833615949 587724110 /nfs/dbraw/zinc/72/41/10/587724110.db2.gz NQCFEYPFLKGYSP-WPRPVWTQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@@H]1F ZINC000833615949 587724112 /nfs/dbraw/zinc/72/41/12/587724112.db2.gz NQCFEYPFLKGYSP-WPRPVWTQSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ccoc2C(=O)[O-])C[C@H]1F ZINC000833615948 587724114 /nfs/dbraw/zinc/72/41/14/587724114.db2.gz NQCFEYPFLKGYSP-WCBMZHEXSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1F ZINC000833615948 587724115 /nfs/dbraw/zinc/72/41/15/587724115.db2.gz NQCFEYPFLKGYSP-WCBMZHEXSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833615142 587724136 /nfs/dbraw/zinc/72/41/36/587724136.db2.gz IVLRCVPNKDFABP-VIFPVBQESA-N 0 1 222.288 2.087 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833613873 587724141 /nfs/dbraw/zinc/72/41/41/587724141.db2.gz JGWOSKFETGWCSF-JTQLQIEISA-N 0 1 236.315 2.335 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC000833642322 587726073 /nfs/dbraw/zinc/72/60/73/587726073.db2.gz KYPSRNBKJWPKGR-GFCCVEGCSA-N 0 1 245.363 2.233 20 0 BEADMN CCC[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C1CC1 ZINC000833651385 587727000 /nfs/dbraw/zinc/72/70/00/587727000.db2.gz ZVASCXDOLBCLHP-LLVKDONJSA-N 0 1 239.315 2.008 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000833678846 587727331 /nfs/dbraw/zinc/72/73/31/587727331.db2.gz PXXZRGZSGFAYRP-WCBMZHEXSA-N 0 1 235.283 2.134 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])[nH]1)CC1CCCC1 ZINC000833696194 587728584 /nfs/dbraw/zinc/72/85/84/587728584.db2.gz GTFQLNJVPPDVHC-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN Cc1cnc(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000833754195 587730288 /nfs/dbraw/zinc/73/02/88/587730288.db2.gz QLIGYRYUDXNRPC-SECBINFHSA-N 0 1 242.344 2.040 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@H]1CCc2ccccc21 ZINC000833772487 587730633 /nfs/dbraw/zinc/73/06/33/587730633.db2.gz YWFBLVPCAKGAGQ-OCCSQVGLSA-N 0 1 245.322 2.265 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H]1CCc2ccccc21 ZINC000833772486 587730913 /nfs/dbraw/zinc/73/09/13/587730913.db2.gz YWFBLVPCAKGAGQ-JSGCOSHPSA-N 0 1 245.322 2.265 20 0 BEADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1[C@@H]1C=CCCC1 ZINC000833833499 587735692 /nfs/dbraw/zinc/73/56/92/587735692.db2.gz YRBJSOSPWDHZOC-GRYCIOLGSA-N 0 1 238.331 2.073 20 0 BEADMN O=C([O-])N1CC[C@H]([N@@H+](CCC2CC2)C2CC2)C1 ZINC000834081092 587744777 /nfs/dbraw/zinc/74/47/77/587744777.db2.gz DGAXTQGHIVTXDR-LBPRGKRZSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000834221902 587749400 /nfs/dbraw/zinc/74/94/00/587749400.db2.gz UTJFPHACAIDDLU-LLVKDONJSA-N 0 1 226.320 2.051 20 0 BEADMN CCC(F)(F)C(=O)NCC(F)(F)C(F)F ZINC000834355325 587752839 /nfs/dbraw/zinc/75/28/39/587752839.db2.gz DKSIXXSYAXMQNE-UHFFFAOYSA-N 0 1 237.143 2.048 20 0 BEADMN CCc1nc(COC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000835291314 587794891 /nfs/dbraw/zinc/79/48/91/587794891.db2.gz LGYDCMUBHLQRFO-VIFPVBQESA-N 0 1 249.314 2.157 20 0 BEADMN CC[C@@H](C)[C@H](CC)OC(=O)CCc1nc[nH]n1 ZINC000835588994 587808327 /nfs/dbraw/zinc/80/83/27/587808327.db2.gz MTDUCJCAUNISDA-ZJUUUORDSA-N 0 1 239.319 2.105 20 0 BEADMN O=C(OC1CC2(CC2)C1)c1ccc2cncn2c1 ZINC000835724503 587815182 /nfs/dbraw/zinc/81/51/82/587815182.db2.gz NLVNARLCYNAUNR-UHFFFAOYSA-N 0 1 242.278 2.434 20 0 BEADMN CC(C)[C@@H](C(=O)OC1CC2(CC2)C1)N(C)C ZINC000835726767 587815715 /nfs/dbraw/zinc/81/57/15/587815715.db2.gz JRYBRSDFZRZCPU-NSHDSACASA-N 0 1 225.332 2.058 20 0 BEADMN CCC/C=C\C(=O)N1CCN(CC)C[C@H]1CC ZINC000836948961 587843532 /nfs/dbraw/zinc/84/35/32/587843532.db2.gz VAKSAQNOIOXHHD-LJTDUEICSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1ccco1)c1ccn(C)n1 ZINC000840714327 587917364 /nfs/dbraw/zinc/91/73/64/587917364.db2.gz ZBHFPBZXTZLWSH-WDEREUQCSA-N 0 1 233.315 2.295 20 0 BEADMN CCn1cc(CNc2nccn2C2CC2)cn1 ZINC000840887390 587927893 /nfs/dbraw/zinc/92/78/93/587927893.db2.gz MQLGIOGGYOMKLH-UHFFFAOYSA-N 0 1 231.303 2.047 20 0 BEADMN C1=CO[C@H](C[N@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000840953931 587931662 /nfs/dbraw/zinc/93/16/62/587931662.db2.gz DBEVGHCERJEXJF-KBPBESRZSA-N 0 1 237.343 2.180 20 0 BEADMN C1=CO[C@H](CN2CCO[C@H](C3CCC3)C2)CC1 ZINC000840953931 587931664 /nfs/dbraw/zinc/93/16/64/587931664.db2.gz DBEVGHCERJEXJF-KBPBESRZSA-N 0 1 237.343 2.180 20 0 BEADMN C[C@H]1C[C@@H](NCc2cc(F)ncc2F)CS1 ZINC000840959304 587932548 /nfs/dbraw/zinc/93/25/48/587932548.db2.gz RNWQSLXLIJHGSV-IONNQARKSA-N 0 1 244.310 2.343 20 0 BEADMN C[C@@H](CCC1CC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996431 587933668 /nfs/dbraw/zinc/93/36/68/587933668.db2.gz PJQLIIYBGZDAQA-GXSJLCMTSA-N 0 1 211.305 2.114 20 0 BEADMN CCC(N)=NOCc1ccc(C)nc1Cl ZINC000842025299 587989954 /nfs/dbraw/zinc/98/99/54/587989954.db2.gz WHHCZFCRUKVTRV-UHFFFAOYSA-N 0 1 227.695 2.452 20 0 BEADMN CCC(N)=NOCc1cc(C(C)(C)C)on1 ZINC000842025282 587989878 /nfs/dbraw/zinc/98/98/78/587989878.db2.gz VSHWFCSFSCMISN-UHFFFAOYSA-N 0 1 225.292 2.381 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOC1CCC1 ZINC000842048633 587992890 /nfs/dbraw/zinc/99/28/90/587992890.db2.gz JEGHOXGTUVDWIB-PHIMTYICSA-N 0 1 239.363 2.300 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000842165896 588004155 /nfs/dbraw/zinc/00/41/55/588004155.db2.gz GXJIUDWCYBIJNA-TUAOUCFPSA-N 0 1 227.348 2.162 20 0 BEADMN CCCCC(N)=NOCCC[C@H]1CCOC1 ZINC000842648450 588045629 /nfs/dbraw/zinc/04/56/29/588045629.db2.gz STOQBROHUOVKFT-NSHDSACASA-N 0 1 228.336 2.492 20 0 BEADMN C[C@H](Cc1nc([C@H]2CCCN2)no1)C1CC1 ZINC000842642555 588048061 /nfs/dbraw/zinc/04/80/61/588048061.db2.gz UGFTWFIDEWBXJK-PSASIEDQSA-N 0 1 221.304 2.083 20 0 BEADMN CCC(N)=NOCCc1c(F)cccc1F ZINC000842649116 588048703 /nfs/dbraw/zinc/04/87/03/588048703.db2.gz XAHSBNLXMJPNGV-UHFFFAOYSA-N 0 1 228.242 2.416 20 0 BEADMN C[C@H]1C[C@@H](NCc2cccnc2Cl)CO1 ZINC000842774372 588062553 /nfs/dbraw/zinc/06/25/53/588062553.db2.gz GVMKKZFKNWDVDL-WCBMZHEXSA-N 0 1 226.707 2.002 20 0 BEADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)c(O)c1 ZINC000843146779 588087013 /nfs/dbraw/zinc/08/70/13/588087013.db2.gz QRWBEFAKWMQEJY-LLVKDONJSA-N 0 1 247.298 2.406 20 0 BEADMN CC(C)CO[C@@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843147599 588087128 /nfs/dbraw/zinc/08/71/28/588087128.db2.gz BNKCRDZRTSRFMM-UWVGGRQHSA-N 0 1 241.335 2.459 20 0 BEADMN CC(C)[C@@H](N)c1noc(CCc2ccoc2)n1 ZINC000843151193 588087537 /nfs/dbraw/zinc/08/75/37/588087537.db2.gz MZBRJQLWGCGIAV-LLVKDONJSA-N 0 1 235.287 2.104 20 0 BEADMN C[C@H](c1noc(-c2ccc(CN)o2)n1)C1CC1 ZINC000843194827 588092504 /nfs/dbraw/zinc/09/25/04/588092504.db2.gz LXKQVVFYIDNEIT-ZETCQYMHSA-N 0 1 233.271 2.302 20 0 BEADMN C[C@@H](c1noc(CNCC2CC2)n1)C1CC1 ZINC000843194113 588092538 /nfs/dbraw/zinc/09/25/38/588092538.db2.gz CXRYZPVVWRULEH-MRVPVSSYSA-N 0 1 221.304 2.083 20 0 BEADMN CN(CC1(F)CC1)C[C@]1(O)CCc2ccccc21 ZINC000843420553 588107303 /nfs/dbraw/zinc/10/73/03/588107303.db2.gz GZCIVPLHXFZUMA-OAHLLOKOSA-N 0 1 249.329 2.254 20 0 BEADMN CCn1ncc(CN2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000843416762 588107310 /nfs/dbraw/zinc/10/73/10/588107310.db2.gz WJMOKHKGALZWLX-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C1(F)CC1 ZINC000843867190 588146362 /nfs/dbraw/zinc/14/63/62/588146362.db2.gz XKWKPCFUGLMSMK-UHFFFAOYSA-N 0 1 233.246 2.312 20 0 BEADMN CCCc1cc(C(=O)N(OCC)C(C)C)[nH]n1 ZINC000844083060 588162084 /nfs/dbraw/zinc/16/20/84/588162084.db2.gz VOISHKZJAJGRAR-UHFFFAOYSA-N 0 1 239.319 2.164 20 0 BEADMN CCCONC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000844087223 588164802 /nfs/dbraw/zinc/16/48/02/588164802.db2.gz INWKJUIKCCVJFR-GFCCVEGCSA-N 0 1 249.310 2.183 20 0 BEADMN CCCONC(=O)[C@@H](c1cccnc1)C(C)C ZINC000844087082 588164894 /nfs/dbraw/zinc/16/48/94/588164894.db2.gz HIVWVBJSPVVZIZ-GFCCVEGCSA-N 0 1 236.315 2.279 20 0 BEADMN O=C1SCCN1CN1CCCCCCC1 ZINC000844242689 588176909 /nfs/dbraw/zinc/17/69/09/588176909.db2.gz XKTVQZLJKLVZTP-UHFFFAOYSA-N 0 1 228.361 2.379 20 0 BEADMN CCN(Cc1cc2n(n1)CCC2)C(C)C ZINC000844277887 588179610 /nfs/dbraw/zinc/17/96/10/588179610.db2.gz CYGVNBXVFOOGJN-UHFFFAOYSA-N 0 1 207.321 2.060 20 0 BEADMN C[C@@](NC(=O)C(F)F)(C1CC1)C(F)(F)F ZINC000844413780 588191021 /nfs/dbraw/zinc/19/10/21/588191021.db2.gz WIUHBNMMVVAEJJ-SSDOTTSWSA-N 0 1 231.164 2.099 20 0 BEADMN COc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844452628 588195803 /nfs/dbraw/zinc/19/58/03/588195803.db2.gz WZJMJKDFPKPKBW-TXEJJXNPSA-N 0 1 239.265 2.392 20 0 BEADMN COc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844457015 588196356 /nfs/dbraw/zinc/19/63/56/588196356.db2.gz IKUOHFKTXPDYSX-TXEJJXNPSA-N 0 1 239.265 2.392 20 0 BEADMN Cc1nc(CCN2C[C@H]3[C@@H](C2)C3(F)F)cs1 ZINC000844458944 588196639 /nfs/dbraw/zinc/19/66/39/588196639.db2.gz QEEZAZBCAVMJDQ-AOOOYVTPSA-N 0 1 244.310 2.191 20 0 BEADMN FC1(F)C[C@@]12CCN(C/C=C\Cl)C2 ZINC000844472280 588198255 /nfs/dbraw/zinc/19/82/55/588198255.db2.gz WBURKICYZPRVDV-XKKRXVNHSA-N 0 1 207.651 2.470 20 0 BEADMN CC(C)N(CN1C(=O)CC12CCCC2)C1CC1 ZINC000844683760 588213092 /nfs/dbraw/zinc/21/30/92/588213092.db2.gz DZKKKMCYYGAMDD-UHFFFAOYSA-N 0 1 236.359 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccnc1Cl ZINC000844839168 588218368 /nfs/dbraw/zinc/21/83/68/588218368.db2.gz JKCJHQFMZLEXKF-SECBINFHSA-N 0 1 242.706 2.030 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000844837853 588218373 /nfs/dbraw/zinc/21/83/73/588218373.db2.gz JYYWYKHACSVPKT-CYBMUJFWSA-N 0 1 249.310 2.012 20 0 BEADMN C[C@H](N[C@@H]1CNc2ccccc2C1)c1ncc[nH]1 ZINC000844920050 588219358 /nfs/dbraw/zinc/21/93/58/588219358.db2.gz JBPVJZDRKDBHJJ-JQWIXIFHSA-N 0 1 242.326 2.097 20 0 BEADMN C/C=C(/C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845735603 588242953 /nfs/dbraw/zinc/24/29/53/588242953.db2.gz YJFKFFVOLXRYQC-YAEJEKNGSA-N 0 1 225.332 2.369 20 0 BEADMN Cc1cc(CC(=O)OC[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000845768738 588244477 /nfs/dbraw/zinc/24/44/77/588244477.db2.gz YJRLSBFHVLQTRC-GRYCIOLGSA-N 0 1 248.326 2.240 20 0 BEADMN CC[C@]1(C)CCC[C@H]1NCc1nonc1C ZINC000845970145 588251934 /nfs/dbraw/zinc/25/19/34/588251934.db2.gz KSGZSQKBOBGZKS-VXGBXAGGSA-N 0 1 223.320 2.436 20 0 BEADMN CC[C@]1(C)CCC[C@@H]1NCc1nonc1C ZINC000845970143 588252114 /nfs/dbraw/zinc/25/21/14/588252114.db2.gz KSGZSQKBOBGZKS-NWDGAFQWSA-N 0 1 223.320 2.436 20 0 BEADMN c1c2cnccc2oc1CN1CC2(CC2)C1 ZINC000845980765 588252658 /nfs/dbraw/zinc/25/26/58/588252658.db2.gz QRUUHQCOXUJIAR-UHFFFAOYSA-N 0 1 214.268 2.424 20 0 BEADMN Oc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846112331 588257195 /nfs/dbraw/zinc/25/71/95/588257195.db2.gz UYRUGXZOQHFLTE-PHIMTYICSA-N 0 1 225.238 2.089 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[O-] ZINC000846225338 588261829 /nfs/dbraw/zinc/26/18/29/588261829.db2.gz MLFOKNHLCPQPTH-JTQLQIEISA-N 0 1 239.290 2.309 20 0 BEADMN C/C(=C\C[N@@H+]1CC(C)(C)C[C@H]1C)C(=O)[O-] ZINC000846246581 588262378 /nfs/dbraw/zinc/26/23/78/588262378.db2.gz KITVIBJZSUNWHM-NAZIUFLLSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C[N@@H+]1CC(C)(C)C[C@@H]1C)C(=O)[O-] ZINC000846246578 588262469 /nfs/dbraw/zinc/26/24/69/588262469.db2.gz KITVIBJZSUNWHM-CYNRKNSPSA-N 0 1 211.305 2.138 20 0 BEADMN COCC[N@@H+](CCCC(C)(C)C)CCC(=O)[O-] ZINC000846271586 588263258 /nfs/dbraw/zinc/26/32/58/588263258.db2.gz LAMIFYLTOHGRAH-UHFFFAOYSA-N 0 1 245.363 2.236 20 0 BEADMN CC(C)C[N@@H+](CCCOC(C)(C)C)CC(=O)[O-] ZINC000846264571 588263300 /nfs/dbraw/zinc/26/33/00/588263300.db2.gz JSJZSJCZGVCISL-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/Cl ZINC000846274234 588263741 /nfs/dbraw/zinc/26/37/41/588263741.db2.gz JZVVKYLMVVJITG-MOVJSRMASA-N 0 1 219.712 2.170 20 0 BEADMN C[C@@H]1CSCCN1Cc1ccc2nonc2c1 ZINC000846805851 588289752 /nfs/dbraw/zinc/28/97/52/588289752.db2.gz GYGFFYLNRUGWTH-SECBINFHSA-N 0 1 249.339 2.160 20 0 BEADMN C[C@H](c1nccc(N)n1)[N@H+]1CCC2(CCCC2)C1 ZINC000846807785 588289836 /nfs/dbraw/zinc/28/98/36/588289836.db2.gz DDCMMUROGXNFPI-LLVKDONJSA-N 0 1 246.358 2.386 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC2(CCCC2)C1 ZINC000846807785 588289837 /nfs/dbraw/zinc/28/98/37/588289837.db2.gz DDCMMUROGXNFPI-LLVKDONJSA-N 0 1 246.358 2.386 20 0 BEADMN CN(Cc1cnc(Cl)c(F)c1)C(C)(C)CO ZINC000846808501 588289973 /nfs/dbraw/zinc/28/99/73/588289973.db2.gz YDEXFCLIPLLFPY-UHFFFAOYSA-N 0 1 246.713 2.077 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc(Cl)c(F)c1 ZINC000846901903 588296357 /nfs/dbraw/zinc/29/63/57/588296357.db2.gz CFJJGNAHERSAIR-MRVPVSSYSA-N 0 1 246.713 2.341 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCCCCC1 ZINC000847308211 588310706 /nfs/dbraw/zinc/31/07/06/588310706.db2.gz FRYULSJJALGLAL-GFCCVEGCSA-N 0 1 249.358 2.381 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1nccs1 ZINC000848011888 588347328 /nfs/dbraw/zinc/34/73/28/588347328.db2.gz VEPRNPBGBYICNU-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)C1CCC1 ZINC000848015982 588348168 /nfs/dbraw/zinc/34/81/68/588348168.db2.gz JYWANOAGXLRQRP-UHFFFAOYSA-N 0 1 220.272 2.130 20 0 BEADMN CS[C@@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015082 588348176 /nfs/dbraw/zinc/34/81/76/588348176.db2.gz RWFBCUWPJOONBK-ZETCQYMHSA-N 0 1 240.328 2.082 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000848034334 588348713 /nfs/dbraw/zinc/34/87/13/588348713.db2.gz YSDKQQDRHXAQLG-VAWYXSNFSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](N[C@H](C)c1ncc[nH]1)[C@H]1CCCCO1 ZINC000848568125 588398436 /nfs/dbraw/zinc/39/84/36/588398436.db2.gz YZPGCLPDWUELSC-GRYCIOLGSA-N 0 1 237.347 2.408 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(F)cc2F)no1 ZINC000848631253 588403122 /nfs/dbraw/zinc/40/31/22/588403122.db2.gz YQUIEVOGVBLFBU-ZCFIWIBFSA-N 0 1 239.225 2.295 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cnc(Cl)n1C ZINC000848888318 588417613 /nfs/dbraw/zinc/41/76/13/588417613.db2.gz AAESESRJJRGIES-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1CCN(Cc2cnc(Cl)n2C)[C@H]1C ZINC000848888317 588417682 /nfs/dbraw/zinc/41/76/82/588417682.db2.gz AAESESRJJRGIES-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN FC1(F)CC12CN(C[C@@H]1CCC=CO1)C2 ZINC000848921936 588421022 /nfs/dbraw/zinc/42/10/22/588421022.db2.gz KAFAJEQHLNQNDX-VIFPVBQESA-N 0 1 215.243 2.020 20 0 BEADMN CC(=O)[C@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000848950883 588422121 /nfs/dbraw/zinc/42/21/21/588422121.db2.gz PCKDCSDTPQMIIM-ZETCQYMHSA-N 0 1 242.658 2.180 20 0 BEADMN FC(F)(F)CNc1nnc(C2CCC2)o1 ZINC000849161758 588458371 /nfs/dbraw/zinc/45/83/71/588458371.db2.gz QAMWMZKFPAVHHE-UHFFFAOYSA-N 0 1 221.182 2.311 20 0 BEADMN C/C(=C\C[N@H+]1CCc2ccc(C)cc2C1)C(=O)[O-] ZINC000849344251 588473836 /nfs/dbraw/zinc/47/38/36/588473836.db2.gz GCEPEOYCYQJKPC-LFYBBSHMSA-N 0 1 245.322 2.384 20 0 BEADMN C[C@]1(CCNC(=O)C(F)(F)F)CC1(F)F ZINC000849461635 588479764 /nfs/dbraw/zinc/47/97/64/588479764.db2.gz VPJIFJWRKRCAAQ-LURJTMIESA-N 0 1 231.164 2.100 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2ccc(C)o2)n[nH]1 ZINC000849626172 588481494 /nfs/dbraw/zinc/48/14/94/588481494.db2.gz WYFFJWHAEZULNR-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN CCCCC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849630644 588482250 /nfs/dbraw/zinc/48/22/50/588482250.db2.gz XQDUGCBDKHLJHO-MRVPVSSYSA-N 0 1 225.292 2.162 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C(C)(C)C)n[nH]1 ZINC000849692937 588486912 /nfs/dbraw/zinc/48/69/12/588486912.db2.gz PPGBVIOUPIMBEP-SSDOTTSWSA-N 0 1 225.292 2.017 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2=CCCC2)n[nH]1 ZINC000849744584 588492772 /nfs/dbraw/zinc/49/27/72/588492772.db2.gz SJTAFSUIDAIYJQ-QMMMGPOBSA-N 0 1 235.287 2.082 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2=CCCCC2)n[nH]1 ZINC000849760707 588494957 /nfs/dbraw/zinc/49/49/57/588494957.db2.gz JHXAOBWSZDXTQD-SECBINFHSA-N 0 1 249.314 2.472 20 0 BEADMN CC/C(C)=C/C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849794918 588500071 /nfs/dbraw/zinc/50/00/71/588500071.db2.gz RKZQRNASTCWLLN-FCZSHJHJSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C(C)=C/C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849794919 588500216 /nfs/dbraw/zinc/50/02/16/588500216.db2.gz RKZQRNASTCWLLN-FLOXNTQESA-N 0 1 237.303 2.328 20 0 BEADMN C/C(=C\Cl)CSCCc1c[nH]nn1 ZINC000849894454 588508666 /nfs/dbraw/zinc/50/86/66/588508666.db2.gz AXRBCYPBWPRQCU-QPJJXVBHSA-N 0 1 217.725 2.223 20 0 BEADMN C[C@H](Cc1ccco1)NCc1cc2n(n1)CCC2 ZINC000850021898 588514795 /nfs/dbraw/zinc/51/47/95/588514795.db2.gz NPQNZJZRQJCXKD-LLVKDONJSA-N 0 1 245.326 2.143 20 0 BEADMN Cc1nc(COC(=O)[C@@H]2CCCC3(CC3)C2)n[nH]1 ZINC000850205906 588528724 /nfs/dbraw/zinc/52/87/24/588528724.db2.gz IPWZTIJVBDYPCW-SNVBAGLBSA-N 0 1 249.314 2.127 20 0 BEADMN COc1cncc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000850229144 588530482 /nfs/dbraw/zinc/53/04/82/588530482.db2.gz UXJVUJJSPGVUJD-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN O[C@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000850370514 588540959 /nfs/dbraw/zinc/54/09/59/588540959.db2.gz QHVNCTOARIVWLQ-CABCVRRESA-N 0 1 240.306 2.350 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cccnc1Cl ZINC000850409685 588544284 /nfs/dbraw/zinc/54/42/84/588544284.db2.gz YAPTXZYKVKBZDV-KOLCDFICSA-N 0 1 226.707 2.002 20 0 BEADMN C[C@H](O)[C@@H](NCc1ccoc1)c1ccccc1 ZINC000850419658 588545162 /nfs/dbraw/zinc/54/51/62/588545162.db2.gz GJKNNSMGIJKEFY-SMDDNHRTSA-N 0 1 231.295 2.491 20 0 BEADMN c1cc(N[C@H]2COC3(CCC3)C2)cc2[nH]nnc12 ZINC000850451540 588547637 /nfs/dbraw/zinc/54/76/37/588547637.db2.gz CEMYAPLBYFNPMZ-SNVBAGLBSA-N 0 1 244.298 2.081 20 0 BEADMN c1cc(N[C@H]2COC3(CCC3)C2)cc2n[nH]nc12 ZINC000850451540 588547638 /nfs/dbraw/zinc/54/76/38/588547638.db2.gz CEMYAPLBYFNPMZ-SNVBAGLBSA-N 0 1 244.298 2.081 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2COC3(CCC3)C2)nn1C ZINC000850524385 588556827 /nfs/dbraw/zinc/55/68/27/588556827.db2.gz XKPMIJMCLLCXMS-NEPJUHHUSA-N 0 1 249.358 2.091 20 0 BEADMN C[C@@H](NC[C@]1(C)CC1(F)F)c1ncc[nH]1 ZINC000850536519 588558709 /nfs/dbraw/zinc/55/87/09/588558709.db2.gz KUFCMBJFXDKHSM-APPZFPTMSA-N 0 1 215.247 2.106 20 0 BEADMN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ncccn1 ZINC000850553352 588560105 /nfs/dbraw/zinc/56/01/05/588560105.db2.gz WXVNEUSRYUHOQG-MDZLAQPJSA-N 0 1 231.343 2.391 20 0 BEADMN CC1CC(COC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000851463282 588605991 /nfs/dbraw/zinc/60/59/91/588605991.db2.gz QGNYFANUGLRKAS-VQXHTEKXSA-N 0 1 248.326 2.419 20 0 BEADMN O=C(OC[C@H]1CCN1Cc1ccccc1)C1CC1 ZINC000851464960 588606496 /nfs/dbraw/zinc/60/64/96/588606496.db2.gz AMPGXNJMOSNDSA-CQSZACIVSA-N 0 1 245.322 2.214 20 0 BEADMN CCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851469770 588606697 /nfs/dbraw/zinc/60/66/97/588606697.db2.gz WSMOKGDUKOEJCV-ZDUSSCGKSA-N 0 1 233.311 2.214 20 0 BEADMN FC(F)OCCN1CCc2ccccc2C1 ZINC000851711502 588615277 /nfs/dbraw/zinc/61/52/77/588615277.db2.gz CDLQMPNVNIJAEW-UHFFFAOYSA-N 0 1 227.254 2.284 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000851708831 588615370 /nfs/dbraw/zinc/61/53/70/588615370.db2.gz MSWHRRGUNILPJR-JKBLGMQWSA-N 0 1 247.338 2.161 20 0 BEADMN c1nonc1CN1CCC[C@H]1Cc1ccccc1 ZINC000851713832 588615745 /nfs/dbraw/zinc/61/57/45/588615745.db2.gz BEMDFAQMNHVUHB-AWEZNQCLSA-N 0 1 243.310 2.277 20 0 BEADMN CC1CCC(N(C)Cc2cnon2)CC1 ZINC000851717303 588616063 /nfs/dbraw/zinc/61/60/63/588616063.db2.gz WDUFZAZUUUWTIV-UHFFFAOYSA-N 0 1 209.293 2.080 20 0 BEADMN Cc1ccc(CN(C)C[C@H](O)c2ccccn2)o1 ZINC000851719062 588616950 /nfs/dbraw/zinc/61/69/50/588616950.db2.gz UIBFKXLGDLBPIU-AWEZNQCLSA-N 0 1 246.310 2.148 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@@H]1COC(C)(C)O1 ZINC000851738053 588620893 /nfs/dbraw/zinc/62/08/93/588620893.db2.gz AGSDXXMCHCXPBH-GHMZBOCLSA-N 0 1 239.315 2.424 20 0 BEADMN CC(C)C[C@@H]1CCCN1Cc1cnon1 ZINC000851742373 588621365 /nfs/dbraw/zinc/62/13/65/588621365.db2.gz SHYYXBSZCYNEOU-NSHDSACASA-N 0 1 209.293 2.080 20 0 BEADMN CCN(Cc1ccoc1)C[C@@H]1COC(C)(C)O1 ZINC000851745816 588621961 /nfs/dbraw/zinc/62/19/61/588621961.db2.gz DCJDLLRSPDDRQM-GFCCVEGCSA-N 0 1 239.315 2.253 20 0 BEADMN CCC(CC)N(Cc1cnon1)C1CC1 ZINC000851746826 588622255 /nfs/dbraw/zinc/62/22/55/588622255.db2.gz PXXXAEAQVNPTJF-UHFFFAOYSA-N 0 1 209.293 2.223 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cnon1 ZINC000851774575 588626594 /nfs/dbraw/zinc/62/65/94/588626594.db2.gz KSWGEAIOCZAIGO-WCQYABFASA-N 0 1 243.310 2.448 20 0 BEADMN C[C@@H]1SCCN(CCOC(F)F)[C@H]1C ZINC000851777488 588627009 /nfs/dbraw/zinc/62/70/09/588627009.db2.gz SYKQXMCSMUNOTH-YUMQZZPRSA-N 0 1 225.304 2.051 20 0 BEADMN CC[C@@H]1CN(CCOC(F)F)CCS1 ZINC000851791862 588629359 /nfs/dbraw/zinc/62/93/59/588629359.db2.gz HNVVJHRENPHBPJ-MRVPVSSYSA-N 0 1 225.304 2.053 20 0 BEADMN CC(C)(NCCOC(F)F)c1nccs1 ZINC000851843676 588634695 /nfs/dbraw/zinc/63/46/95/588634695.db2.gz LKIVDMSOALIJHN-UHFFFAOYSA-N 0 1 236.287 2.207 20 0 BEADMN FC(F)OCCN(Cc1ccncc1)C1CC1 ZINC000851870378 588636217 /nfs/dbraw/zinc/63/62/17/588636217.db2.gz FNEMEFCIOGUIPX-UHFFFAOYSA-N 0 1 242.269 2.285 20 0 BEADMN FC(F)OCCN1CCC[C@H]1c1cccnc1 ZINC000851870938 588637346 /nfs/dbraw/zinc/63/73/46/588637346.db2.gz KYWUIYKTUNEALF-NSHDSACASA-N 0 1 242.269 2.458 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@H]3C[C@H]32)cn1 ZINC000851877229 588638532 /nfs/dbraw/zinc/63/85/32/588638532.db2.gz FIFQEUYAHPWSCT-NWDGAFQWSA-N 0 1 219.332 2.232 20 0 BEADMN CO[C@H](CN1CCC[C@H]1c1ncc[nH]1)C1CCC1 ZINC000851887945 588640752 /nfs/dbraw/zinc/64/07/52/588640752.db2.gz YFDNFKMRYKBQQH-QWHCGFSZSA-N 0 1 249.358 2.362 20 0 BEADMN C[C@@H](NCc1cnon1)C1CCCCC1 ZINC000851893432 588641405 /nfs/dbraw/zinc/64/14/05/588641405.db2.gz KMSZVEPBSLAGAY-SECBINFHSA-N 0 1 209.293 2.128 20 0 BEADMN CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](F)C2)C1 ZINC000851909371 588642408 /nfs/dbraw/zinc/64/24/08/588642408.db2.gz CZIAVYCRUYJUHV-KXNHARMFSA-N 0 1 215.312 2.234 20 0 BEADMN Cc1ccc([C@H]2CCN(Cc3cnon3)C2)cc1 ZINC000851922977 588644189 /nfs/dbraw/zinc/64/41/89/588644189.db2.gz FUXRXQYWYKCYSF-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@H](C)c2nnc(C)s2)C1 ZINC000851935650 588645661 /nfs/dbraw/zinc/64/56/61/588645661.db2.gz FRLQUJPZMBOVDO-SZEHBUNVSA-N 0 1 241.360 2.065 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)Cc1cnon1 ZINC000851965959 588648478 /nfs/dbraw/zinc/64/84/78/588648478.db2.gz AYZORHJZEFMDPQ-ONGXEEELSA-N 0 1 209.293 2.080 20 0 BEADMN CN(Cc1cnon1)[C@@H]1CCC(C)(C)C1 ZINC000852002471 588654350 /nfs/dbraw/zinc/65/43/50/588654350.db2.gz UZCWYYTUNRWZLE-SNVBAGLBSA-N 0 1 209.293 2.080 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(Cc2cnon2)C1 ZINC000852004165 588654379 /nfs/dbraw/zinc/65/43/79/588654379.db2.gz PXZKFFDIGBVQFO-SNVBAGLBSA-N 0 1 223.320 2.328 20 0 BEADMN CCOC1CC(N(C)Cc2cccc(F)n2)C1 ZINC000852050649 588657737 /nfs/dbraw/zinc/65/77/37/588657737.db2.gz RMQIVYWHGGRAIX-UHFFFAOYSA-N 0 1 238.306 2.220 20 0 BEADMN COC[C@@]1(C)CCN(Cc2cccc(F)n2)C1 ZINC000852111613 588664473 /nfs/dbraw/zinc/66/44/73/588664473.db2.gz IIAPPHDIGUVWHC-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN CO[C@@H]1CCN(Cc2cccc(F)n2)C[C@H]1C ZINC000852136225 588665998 /nfs/dbraw/zinc/66/59/98/588665998.db2.gz VPQYPZGLGHTWAX-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CCN(Cc2cccc(F)n2)C[C@H]1C ZINC000852136221 588666167 /nfs/dbraw/zinc/66/61/67/588666167.db2.gz VPQYPZGLGHTWAX-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN CC(C)(C)C[C@H]1CCN(Cc2cnon2)C1 ZINC000852149021 588667277 /nfs/dbraw/zinc/66/72/77/588667277.db2.gz CWXGTKXIZYRUFZ-SNVBAGLBSA-N 0 1 223.320 2.328 20 0 BEADMN c1nonc1CN1CC[C@@H](C2CCCC2)C1 ZINC000852185197 588670672 /nfs/dbraw/zinc/67/06/72/588670672.db2.gz VVIIOVPITROWGO-LLVKDONJSA-N 0 1 221.304 2.082 20 0 BEADMN CCN(CCSC)Cc1cccc(F)n1 ZINC000852207860 588672098 /nfs/dbraw/zinc/67/20/98/588672098.db2.gz CJZQUENYZFNQOH-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN C[C@@H]1CN(CCOC(F)F)CC2(CCCC2)O1 ZINC000852208726 588672117 /nfs/dbraw/zinc/67/21/17/588672117.db2.gz KMCXSBNLWBMDMR-SNVBAGLBSA-N 0 1 249.301 2.259 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@H]1CC1(Cl)Cl ZINC000852285078 588675552 /nfs/dbraw/zinc/67/55/52/588675552.db2.gz ZJDVJNQCFUWWNU-SSDOTTSWSA-N 0 1 234.130 2.035 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852442894 588682609 /nfs/dbraw/zinc/68/26/09/588682609.db2.gz GYYLTTHUFPDLRL-LBPRGKRZSA-N 0 1 239.359 2.245 20 0 BEADMN CC(C)C(=O)CCN1CC2(CCC2)OC[C@@H]1C ZINC000852442894 588682610 /nfs/dbraw/zinc/68/26/10/588682610.db2.gz GYYLTTHUFPDLRL-LBPRGKRZSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1cnc(CN2CCC[C@H](CCF)C2)cn1 ZINC000852533015 588688235 /nfs/dbraw/zinc/68/82/35/588688235.db2.gz OSHLNJRQXYXKEL-GFCCVEGCSA-N 0 1 237.322 2.357 20 0 BEADMN COc1ccc2c(c1)CCN(CCC(C)=O)C2 ZINC000852550722 588689399 /nfs/dbraw/zinc/68/93/99/588689399.db2.gz MGXQAIPDGILKTO-UHFFFAOYSA-N 0 1 233.311 2.032 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000852559122 588690602 /nfs/dbraw/zinc/69/06/02/588690602.db2.gz OLDQIAVHYCVOIY-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cccnc1Cl ZINC000852559122 588690603 /nfs/dbraw/zinc/69/06/03/588690603.db2.gz OLDQIAVHYCVOIY-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN FC(F)C(F)(F)CN1CC[C@@H]2C[C@@H]2C1 ZINC000852636350 588693733 /nfs/dbraw/zinc/69/37/33/588693733.db2.gz SFIIKMHQVMPWEP-RNFRBKRXSA-N 0 1 211.202 2.229 20 0 BEADMN C[C@H](NCc1cnon1)C1CCC(F)CC1 ZINC000852651624 588694188 /nfs/dbraw/zinc/69/41/88/588694188.db2.gz PLCFQFNOFBTPCG-IDKOKCKLSA-N 0 1 227.283 2.076 20 0 BEADMN CN(CC1OCCO1)C[C@H]1CCc2ccccc21 ZINC000852724131 588697893 /nfs/dbraw/zinc/69/78/93/588697893.db2.gz BZKLGXKMSIQVTG-CYBMUJFWSA-N 0 1 247.338 2.021 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC=C(Cl)Cl ZINC000852729619 588698433 /nfs/dbraw/zinc/69/84/33/588698433.db2.gz HPXSGCAMECUWAU-RNFRBKRXSA-N 0 1 238.114 2.243 20 0 BEADMN CC[N@@H+](Cc1ccnc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000852729219 588698653 /nfs/dbraw/zinc/69/86/53/588698653.db2.gz AMJWMBUUJYEZGY-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN Cc1ccccc1CCC(=O)OCCN1CCC1 ZINC000861387158 589162481 /nfs/dbraw/zinc/16/24/81/589162481.db2.gz WSFHZDWWSQKGAN-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN C[C@H]1CCC[C@H]1CC(=O)OCCN1CCC1 ZINC000861389338 589163815 /nfs/dbraw/zinc/16/38/15/589163815.db2.gz IGGTYMWGGXIQJD-RYUDHWBXSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@@H]1CCC[C@H]1CC(=O)OCCN1CCC1 ZINC000861389336 589163839 /nfs/dbraw/zinc/16/38/39/589163839.db2.gz IGGTYMWGGXIQJD-NEPJUHHUSA-N 0 1 225.332 2.062 20 0 BEADMN CCCC(C)(C)CC(=O)OCCN1CCC1 ZINC000861391322 589164106 /nfs/dbraw/zinc/16/41/06/589164106.db2.gz BMWAOHUZEVMDGP-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1CCCC2(CC2)C1 ZINC000861390220 589164355 /nfs/dbraw/zinc/16/43/55/589164355.db2.gz LMOJAJIGCTUAEA-GFCCVEGCSA-N 0 1 237.343 2.206 20 0 BEADMN CC1(CC(=O)OCCN2CCC2)CCCC1 ZINC000861392673 589164840 /nfs/dbraw/zinc/16/48/40/589164840.db2.gz WEBWAKFKBPMJCX-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)OCCN1CCC1 ZINC000861391491 589164907 /nfs/dbraw/zinc/16/49/07/589164907.db2.gz DRZZHOAATUHWNU-QWHCGFSZSA-N 0 1 239.359 2.452 20 0 BEADMN O=C(C[C@@H]1CCC(F)(F)C1)OCCN1CCC1 ZINC000861392508 589164974 /nfs/dbraw/zinc/16/49/74/589164974.db2.gz UVQKNYAAGGHMTM-JTQLQIEISA-N 0 1 247.285 2.061 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1ccnc(F)c1 ZINC000862262247 589197602 /nfs/dbraw/zinc/19/76/02/589197602.db2.gz VRFHCKPPSNCGGS-NSHDSACASA-N 0 1 208.280 2.451 20 0 BEADMN CCc1cc(CNCc2cnc(C3CC3)o2)n[nH]1 ZINC000862278253 589198675 /nfs/dbraw/zinc/19/86/75/589198675.db2.gz BFKJLTXKPCYKGR-UHFFFAOYSA-N 0 1 246.314 2.127 20 0 BEADMN CCc1nnc(SCc2ccnc(F)c2)[nH]1 ZINC000863277894 589275589 /nfs/dbraw/zinc/27/55/89/589275589.db2.gz JAYXPLQBBZYNLN-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1n[nH]c(SCc2ccnc(F)c2)n1 ZINC000863277894 589275591 /nfs/dbraw/zinc/27/55/91/589275591.db2.gz JAYXPLQBBZYNLN-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCN[C@H](C)c1nc(-c2nc(C)cs2)no1 ZINC000863661238 589308500 /nfs/dbraw/zinc/30/85/00/589308500.db2.gz KOPARPZGLMCFMH-SSDOTTSWSA-N 0 1 238.316 2.172 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(C)nc2)no1 ZINC000863659333 589308817 /nfs/dbraw/zinc/30/88/17/589308817.db2.gz IZIPUBCJDKXPCZ-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN CC/C=C(\F)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000864068895 589338801 /nfs/dbraw/zinc/33/88/01/589338801.db2.gz WOQFJLHMDDQRJY-OYUORYAFSA-N 0 1 242.338 2.239 20 0 BEADMN CCCCOC(=O)[C@H](C)N(CC)CC1CC1 ZINC000119936046 589348341 /nfs/dbraw/zinc/34/83/41/589348341.db2.gz PKSOJRLTOIMJSY-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCn1ncnc1-c1ccc(CN(C)C)c(F)c1 ZINC000864536184 589376126 /nfs/dbraw/zinc/37/61/26/589376126.db2.gz XNFRKOSCSWZDDN-UHFFFAOYSA-N 0 1 248.305 2.166 20 0 BEADMN Cc1cc(NC(=O)c2[nH]cnc2C(C)(C)C)no1 ZINC000864611081 589383449 /nfs/dbraw/zinc/38/34/49/589383449.db2.gz UFUYSBMZZKBTHN-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CCc1nnc(SCC(C)(C)COC)[nH]1 ZINC000865349141 589423718 /nfs/dbraw/zinc/42/37/18/589423718.db2.gz BLNRRXJWRUIOPN-UHFFFAOYSA-N 0 1 229.349 2.132 20 0 BEADMN CCc1n[nH]c(SCC(C)(C)COC)n1 ZINC000865349141 589423719 /nfs/dbraw/zinc/42/37/19/589423719.db2.gz BLNRRXJWRUIOPN-UHFFFAOYSA-N 0 1 229.349 2.132 20 0 BEADMN CC(C)(C)OCCNCc1cn(C2CC2)cn1 ZINC000865437639 589436232 /nfs/dbraw/zinc/43/62/32/589436232.db2.gz PXSHTRYQKCKNCB-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN COCCCCNc1ccncc1C(F)(F)F ZINC000865445115 589436650 /nfs/dbraw/zinc/43/66/50/589436650.db2.gz JWGPMXLAHGISHX-UHFFFAOYSA-N 0 1 248.248 2.361 20 0 BEADMN COc1ccnc(NCc2cn(C3CC3)cn2)c1 ZINC000865513213 589442865 /nfs/dbraw/zinc/44/28/65/589442865.db2.gz MKZBSGHHJUCCDU-UHFFFAOYSA-N 0 1 244.298 2.234 20 0 BEADMN C[C@@H](O)CCN(C)c1ccncc1C(F)(F)F ZINC000865562453 589446831 /nfs/dbraw/zinc/44/68/31/589446831.db2.gz ZPLMCRKLMLUFFD-MRVPVSSYSA-N 0 1 248.248 2.308 20 0 BEADMN C[C@@H](CF)NCc1cc(F)ccc1N(C)C ZINC000865579049 589448540 /nfs/dbraw/zinc/44/85/40/589448540.db2.gz QLXDWUMGSBNHRY-VIFPVBQESA-N 0 1 228.286 2.339 20 0 BEADMN COC1(CNCc2cn(C3CC3)cn2)CCCC1 ZINC000865580859 589448715 /nfs/dbraw/zinc/44/87/15/589448715.db2.gz GBXMQEFWDYQBJR-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN CC/C=C\CNCc1cn(C2CC2)cn1 ZINC000865586178 589449432 /nfs/dbraw/zinc/44/94/32/589449432.db2.gz AWMDFXPIKTYKHG-ARJAWSKDSA-N 0 1 205.305 2.274 20 0 BEADMN O=c1[nH]ccc2oc(CN[C@@H]3C=CCC3)cc21 ZINC000865624268 589452095 /nfs/dbraw/zinc/45/20/95/589452095.db2.gz XAFSKMZNDQEYJK-SECBINFHSA-N 0 1 230.267 2.342 20 0 BEADMN CCCn1cc(CNCCCc2ccco2)nn1 ZINC000865633042 589452675 /nfs/dbraw/zinc/45/26/75/589452675.db2.gz XHMWGRWVEULMNG-UHFFFAOYSA-N 0 1 248.330 2.004 20 0 BEADMN CC(C)(C)c1csc(CN[C@H]2C[C@H](O)C2)n1 ZINC000865636076 589453321 /nfs/dbraw/zinc/45/33/21/589453321.db2.gz WIISQEBWVFWYDH-KYZUINATSA-N 0 1 240.372 2.054 20 0 BEADMN CCC1(O)CN(c2ccncc2C(F)(F)F)C1 ZINC000865686288 589456193 /nfs/dbraw/zinc/45/61/93/589456193.db2.gz AEGJHOUGMQWSBQ-UHFFFAOYSA-N 0 1 246.232 2.062 20 0 BEADMN F[C@@H]1CCCC[C@@H]1NCc1cnn2c1CCC2 ZINC000865696616 589456755 /nfs/dbraw/zinc/45/67/55/589456755.db2.gz HRTZGHLGHNKZKM-NEPJUHHUSA-N 0 1 237.322 2.200 20 0 BEADMN CCc1ncc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC000865696923 589456971 /nfs/dbraw/zinc/45/69/71/589456971.db2.gz NOODXYQTGNVTBW-NWDGAFQWSA-N 0 1 237.322 2.409 20 0 BEADMN CS[C@H]1C[C@H](NCc2ncc(Cl)n2C)C1 ZINC000865733805 589457953 /nfs/dbraw/zinc/45/79/53/589457953.db2.gz WAYSXGWXLUXHGD-ZKCHVHJHSA-N 0 1 245.779 2.057 20 0 BEADMN CS[C@H]1C[C@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000865733605 589459033 /nfs/dbraw/zinc/45/90/33/589459033.db2.gz NGAYTLTZKAHMCU-MGCOHNPYSA-N 0 1 225.361 2.010 20 0 BEADMN CS[C@H]1C[C@H](NCc2nc(C)cs2)C1 ZINC000865734065 589459210 /nfs/dbraw/zinc/45/92/10/589459210.db2.gz GWROOUZDKUUYBT-KYZUINATSA-N 0 1 228.386 2.435 20 0 BEADMN CC(C)n1cncc1CN[C@@H](C)c1ccnn1C ZINC000865837508 589464208 /nfs/dbraw/zinc/46/42/08/589464208.db2.gz HEFXVBRQBHENEN-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN Cc1c[nH]nc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000865856393 589465239 /nfs/dbraw/zinc/46/52/39/589465239.db2.gz HNUVBWSIVYYRRR-CYBMUJFWSA-N 0 1 249.358 2.300 20 0 BEADMN Cn1ccnc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000865857901 589465446 /nfs/dbraw/zinc/46/54/46/589465446.db2.gz ZRBSYHADBJOBLM-LBPRGKRZSA-N 0 1 249.358 2.002 20 0 BEADMN Cc1csc(CN[C@]23CCC[C@H]2OCC3)n1 ZINC000865859652 589465544 /nfs/dbraw/zinc/46/55/44/589465544.db2.gz WMMNHJGIRIIYEY-PWSUYJOCSA-N 0 1 238.356 2.253 20 0 BEADMN C[C@@H]1COCCN1CCc1cccs1 ZINC000120952051 589479149 /nfs/dbraw/zinc/47/91/49/589479149.db2.gz BGNGUUPOYYIFJD-SNVBAGLBSA-N 0 1 211.330 2.011 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1ccnc(F)c1 ZINC000866473611 589494889 /nfs/dbraw/zinc/49/48/89/589494889.db2.gz OSBBTHZDDNFDCR-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN CC/C=C(/F)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000866750365 589517172 /nfs/dbraw/zinc/51/71/72/589517172.db2.gz QDDHPFMCUFILKE-ITXLNXHTSA-N 0 1 239.294 2.029 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)NOC2CCCCC2)[C@H](C)O1 ZINC000867548344 589525081 /nfs/dbraw/zinc/52/50/81/589525081.db2.gz SDMAJLHEKFLVSN-JFGNBEQYSA-N 0 1 241.331 2.180 20 0 BEADMN CCCONC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000869085054 589586408 /nfs/dbraw/zinc/58/64/08/589586408.db2.gz RKOLFIMUMVCGMP-SNVBAGLBSA-N 0 1 229.320 2.040 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000122575140 589604843 /nfs/dbraw/zinc/60/48/43/589604843.db2.gz GEPZHWLHSVNNKB-TUAOUCFPSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](CC(=O)OCc1c[nH]nn1)C(C)(C)C ZINC000870352138 589659962 /nfs/dbraw/zinc/65/99/62/589659962.db2.gz GBPAKCJFUYMZGQ-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN COc1ccc(OC)c(CN(C)CCCF)c1 ZINC000123589911 589755953 /nfs/dbraw/zinc/75/59/53/589755953.db2.gz IPPFNVYFUKEAKR-UHFFFAOYSA-N 0 1 241.306 2.495 20 0 BEADMN Cc1cnc(F)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000871788221 589819511 /nfs/dbraw/zinc/81/95/11/589819511.db2.gz HSGYWISFYPFMPA-VIFPVBQESA-N 0 1 248.261 2.004 20 0 BEADMN CCCCC1=NN(CC2CC2)C(=O)[C@H]1C ZINC000871942677 589836840 /nfs/dbraw/zinc/83/68/40/589836840.db2.gz MQOYDPAWGINGGR-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN CCCCc1[nH]n(CC2CC2)c(=O)c1C ZINC000871942677 589836842 /nfs/dbraw/zinc/83/68/42/589836842.db2.gz MQOYDPAWGINGGR-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN Cc1cc(C2=NN(CC3CC3)C(=O)C2)ccc1F ZINC000871943002 589837058 /nfs/dbraw/zinc/83/70/58/589837058.db2.gz VMQWZLLSQIUVSN-UHFFFAOYSA-N 0 1 246.285 2.481 20 0 BEADMN CCC[C@H]1C(=O)N(c2cccc(F)n2)N=C1C ZINC000871952415 589840698 /nfs/dbraw/zinc/84/06/98/589840698.db2.gz AENIEJMSWZWENR-SECBINFHSA-N 0 1 235.262 2.360 20 0 BEADMN CC1(C)CC[C@H]2C(=O)N(c3cccnn3)N=C2C1 ZINC000871953410 589840955 /nfs/dbraw/zinc/84/09/55/589840955.db2.gz ORSQVXNICIXVFC-SECBINFHSA-N 0 1 244.298 2.006 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(-c2ccnc(F)c2)[nH]1 ZINC000871953205 589840995 /nfs/dbraw/zinc/84/09/95/589840995.db2.gz GEZULHGWLPXZFZ-MRVPVSSYSA-N 0 1 235.262 2.360 20 0 BEADMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1C ZINC000871953404 589841036 /nfs/dbraw/zinc/84/10/36/589841036.db2.gz OOHDZACOUYKIQD-LURJTMIESA-N 0 1 223.663 2.094 20 0 BEADMN C[C@@H]1CCC2=NN(c3cccc(F)n3)C(=O)[C@@H]2C1 ZINC000871952969 589841294 /nfs/dbraw/zinc/84/12/94/589841294.db2.gz WOSISEOSWCYNMC-RKDXNWHRSA-N 0 1 247.273 2.360 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccnc(Cl)c1 ZINC000871953137 589841360 /nfs/dbraw/zinc/84/13/60/589841360.db2.gz CHXWKKNSULEQHI-UHFFFAOYSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953427 589841791 /nfs/dbraw/zinc/84/17/91/589841791.db2.gz PLSBCKPZEBINFC-WRWORJQWSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953713 589842231 /nfs/dbraw/zinc/84/22/31/589842231.db2.gz ASLRGOKAERDAEI-WRWORJQWSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C1CC1 ZINC000871955137 589842660 /nfs/dbraw/zinc/84/26/60/589842660.db2.gz WLDIVTBOFYFDRK-LLVKDONJSA-N 0 1 249.701 2.484 20 0 BEADMN COC[C@@H](C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871955837 589843555 /nfs/dbraw/zinc/84/35/55/589843555.db2.gz ZFWZVYVCGBAYPP-NXEZZACHSA-N 0 1 238.331 2.046 20 0 BEADMN COCCCn1[nH]c(CCC(C)C)cc1=O ZINC000871958683 589844252 /nfs/dbraw/zinc/84/42/52/589844252.db2.gz FBLWVOMKIVYCCG-UHFFFAOYSA-N 0 1 226.320 2.047 20 0 BEADMN O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCC2 ZINC000871963484 589847743 /nfs/dbraw/zinc/84/77/43/589847743.db2.gz PCFWUZGZBKZFDA-IUCAKERBSA-N 0 1 242.269 2.420 20 0 BEADMN O=c1c2c([nH]n1C[C@@H]1CCCC1(F)F)CCC2 ZINC000871963484 589847745 /nfs/dbraw/zinc/84/77/45/589847745.db2.gz PCFWUZGZBKZFDA-IUCAKERBSA-N 0 1 242.269 2.420 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1cccc(O)c1F ZINC000872016279 589856016 /nfs/dbraw/zinc/85/60/16/589856016.db2.gz HHPDZOYZSWANSW-RKDXNWHRSA-N 0 1 227.279 2.217 20 0 BEADMN CCOCCN[C@@H](C)c1cc(O)ccc1F ZINC000872025962 589856528 /nfs/dbraw/zinc/85/65/28/589856528.db2.gz WPOIXEZZTFCKKO-VIFPVBQESA-N 0 1 227.279 2.218 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2F)n[nH]1 ZINC000872038744 589858907 /nfs/dbraw/zinc/85/89/07/589858907.db2.gz PPZBZYLGXBRUMI-VIFPVBQESA-N 0 1 249.289 2.414 20 0 BEADMN CC[C@H](NCC(F)(F)CO)C(C)(C)CC ZINC000872063049 589862425 /nfs/dbraw/zinc/86/24/25/589862425.db2.gz MFVDLAQQUQGFHB-VIFPVBQESA-N 0 1 223.307 2.418 20 0 BEADMN Cc1nonc1CN[C@H](C)C(C)(C)C(F)F ZINC000872134854 589878246 /nfs/dbraw/zinc/87/82/46/589878246.db2.gz FHIYTIDSLYWODG-SSDOTTSWSA-N 0 1 233.262 2.147 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCCC1CC1 ZINC000872160225 589885980 /nfs/dbraw/zinc/88/59/80/589885980.db2.gz AXJRDQKFQLVFNY-ZDUSSCGKSA-N 0 1 249.310 2.454 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000872165381 589886791 /nfs/dbraw/zinc/88/67/91/589886791.db2.gz DGWOFSVSGLMGRY-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(C(F)F)CCC2)n1 ZINC000872170493 589887804 /nfs/dbraw/zinc/88/78/04/589887804.db2.gz IVSVWFYVOJLRNX-SSDOTTSWSA-N 0 1 245.273 2.412 20 0 BEADMN CN1CCN(C/C=C\Cl)Cc2cccnc21 ZINC000872317449 589910352 /nfs/dbraw/zinc/91/03/52/589910352.db2.gz SGUPGAWUOWWSJR-HYXAFXHYSA-N 0 1 237.734 2.086 20 0 BEADMN CCCN(CC)CN1CCC2(CCC2)C1=O ZINC000872574876 589953817 /nfs/dbraw/zinc/95/38/17/589953817.db2.gz NBIFWJRAQPXAHQ-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CN(CN1CCC2(CCCC2)C1=O)C1CCC1 ZINC000872583832 589954063 /nfs/dbraw/zinc/95/40/63/589954063.db2.gz GESVYSQVEABBGV-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN Cc1ccnc(NCCC[C@@H]2CCOC2=O)c1 ZINC000872704213 589963781 /nfs/dbraw/zinc/96/37/81/589963781.db2.gz WAMZKQZVLGTXAD-LLVKDONJSA-N 0 1 234.299 2.145 20 0 BEADMN CCOc1cccc(F)c1CNC[C@@H](C)OC ZINC000873111930 589985067 /nfs/dbraw/zinc/98/50/67/589985067.db2.gz KCCOXDOZFWPEES-SNVBAGLBSA-N 0 1 241.306 2.349 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NC(CF)CF)CCO1 ZINC000873128732 589985543 /nfs/dbraw/zinc/98/55/43/589985543.db2.gz BOJRMWCHQPOBAS-GXSJLCMTSA-N 0 1 235.318 2.477 20 0 BEADMN CC[C@@H](NCc1ncc[nH]1)[C@H](O)c1ccccc1 ZINC000873194724 589991240 /nfs/dbraw/zinc/99/12/40/589991240.db2.gz UZGXGHJACJGXIP-TZMCWYRMSA-N 0 1 245.326 2.012 20 0 BEADMN CCC[C@@H](CC)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000873547809 590056312 /nfs/dbraw/zinc/05/63/12/590056312.db2.gz JDQUIPZPXFHMKN-DTWKUNHWSA-N 0 1 225.292 2.235 20 0 BEADMN Cc1cccc2c1CC[N@H+]([C@@H](C(=O)[O-])C1CC1)C2 ZINC000873640521 590065938 /nfs/dbraw/zinc/06/59/38/590065938.db2.gz GNSCODMUCXAKAC-CQSZACIVSA-N 0 1 245.322 2.216 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1ccco1)c1ncc[nH]1 ZINC000124678006 590072433 /nfs/dbraw/zinc/07/24/33/590072433.db2.gz GBGUFQDDGCAVTA-VHSXEESVSA-N 0 1 219.288 2.285 20 0 BEADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCCCCC1 ZINC000873886480 590077293 /nfs/dbraw/zinc/07/72/93/590077293.db2.gz AXXJEXCAIAOJMU-VXGBXAGGSA-N 0 1 247.342 2.306 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1cn[nH]c1C ZINC000873961760 590081036 /nfs/dbraw/zinc/08/10/36/590081036.db2.gz VJGXVHWAKNZTMT-SNVBAGLBSA-N 0 1 223.320 2.161 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(C(C)C)CC1 ZINC000873974671 590081646 /nfs/dbraw/zinc/08/16/46/590081646.db2.gz FYPVPAQTDNXKFZ-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)CN1CCCC1 ZINC000873992705 590083628 /nfs/dbraw/zinc/08/36/28/590083628.db2.gz ATBZPFIBEMJSQZ-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN N[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000020265812 590093992 /nfs/dbraw/zinc/09/39/92/590093992.db2.gz OAYNQEVPTYJAGT-CQSZACIVSA-N 0 1 246.354 2.479 20 0 BEADMN CC[C@@](C)(NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000874443445 590110751 /nfs/dbraw/zinc/11/07/51/590110751.db2.gz JYXPFLNBABUJEK-IUODEOHRSA-N 0 1 248.370 2.378 20 0 BEADMN C[C@H](CN(C)C(=O)CN1CCCC1)C(C)(C)C ZINC000874592234 590117865 /nfs/dbraw/zinc/11/78/65/590117865.db2.gz NTMUWRNSJDNDCK-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN CCC1(CC)CCCN1C(=O)c1cnc[nH]1 ZINC000874628540 590119395 /nfs/dbraw/zinc/11/93/95/590119395.db2.gz YJHIGEDZOVDEEU-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN C[C@H](NC[C@H](O)c1ccco1)c1cncs1 ZINC000125161596 590142800 /nfs/dbraw/zinc/14/28/00/590142800.db2.gz YMAGEIURLMVRDD-IUCAKERBSA-N 0 1 238.312 2.120 20 0 BEADMN CCCn1cc(CN2CCCC[C@@H]2CC)nn1 ZINC000876524553 590208396 /nfs/dbraw/zinc/20/83/96/590208396.db2.gz TZKNSXGFPOJKMX-ZDUSSCGKSA-N 0 1 236.363 2.453 20 0 BEADMN CCCCCCNC(=O)c1oc(CN)cc1C ZINC000876546212 590213712 /nfs/dbraw/zinc/21/37/12/590213712.db2.gz FPMWQBASFSDMFV-UHFFFAOYSA-N 0 1 238.331 2.357 20 0 BEADMN CCCn1cc(CN(C)[C@H](C)C(C)C)nn1 ZINC000876573803 590217391 /nfs/dbraw/zinc/21/73/91/590217391.db2.gz CPGFUDSGPHKWRM-LLVKDONJSA-N 0 1 224.352 2.164 20 0 BEADMN COc1cnc(F)c(CN2CC[C@H](C)C2)c1 ZINC000876637118 590225324 /nfs/dbraw/zinc/22/53/24/590225324.db2.gz QIFVHDGGFDAKNS-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN CSC(C)(C)CCN(C)Cc1cnccn1 ZINC000876644409 590225626 /nfs/dbraw/zinc/22/56/26/590225626.db2.gz WWLVQEGYBMKHBT-UHFFFAOYSA-N 0 1 239.388 2.440 20 0 BEADMN CCCn1cc(CN2CCCCC[C@H]2C)nn1 ZINC000876732599 590234544 /nfs/dbraw/zinc/23/45/44/590234544.db2.gz ATAMJTJXXTTZEU-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN COc1cncc(CN2CCC2(C)C)c1C ZINC000876743365 590236596 /nfs/dbraw/zinc/23/65/96/590236596.db2.gz DNJWEMGTRJOCIF-UHFFFAOYSA-N 0 1 220.316 2.383 20 0 BEADMN COc1cnc(F)c(CN2C[C@H](C)C[C@H]2C)c1 ZINC000876758469 590238696 /nfs/dbraw/zinc/23/86/96/590238696.db2.gz JKXNKFJUCMHNNY-NXEZZACHSA-N 0 1 238.306 2.460 20 0 BEADMN CC1(CN2CCc3c[nH]nc3C2)CCCC1 ZINC000876759834 590238923 /nfs/dbraw/zinc/23/89/23/590238923.db2.gz NFNAMOAJQZGFOB-UHFFFAOYSA-N 0 1 219.332 2.348 20 0 BEADMN COc1cnc(F)c(CN2CC[C@H](C)[C@H]2C)c1 ZINC000876800656 590243512 /nfs/dbraw/zinc/24/35/12/590243512.db2.gz TVRKUIFHTILMMW-VHSXEESVSA-N 0 1 238.306 2.460 20 0 BEADMN ClC1(Cl)C[C@H]1CNCc1nccs1 ZINC000876954792 590260810 /nfs/dbraw/zinc/26/08/10/590260810.db2.gz OXQWXSMHJUKZKJ-LURJTMIESA-N 0 1 237.155 2.427 20 0 BEADMN CC(C)C[C@@H](O)CNCc1nc2ccccc2o1 ZINC000876988119 590265648 /nfs/dbraw/zinc/26/56/48/590265648.db2.gz VKBJRZTVKZSZEU-LLVKDONJSA-N 0 1 248.326 2.324 20 0 BEADMN CC(C)C[C@H](O)CNCc1cc(C2CC2)no1 ZINC000876988300 590265666 /nfs/dbraw/zinc/26/56/66/590265666.db2.gz YEPVZBWLEGZWIR-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN CO[C@H](C)CCNCc1nc(Cl)cs1 ZINC000876997010 590266665 /nfs/dbraw/zinc/26/66/65/590266665.db2.gz KUTGDZRKWQOXLG-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN Clc1csc(CN[C@@H]2CCCOC2)n1 ZINC000877008679 590268629 /nfs/dbraw/zinc/26/86/29/590268629.db2.gz VWMRISZDKPBCBX-SSDOTTSWSA-N 0 1 232.736 2.065 20 0 BEADMN CC[C@@](C)(CO)NCc1nc(Cl)cs1 ZINC000877142994 590291413 /nfs/dbraw/zinc/29/14/13/590291413.db2.gz CFVDPWHYNFYUAV-VIFPVBQESA-N 0 1 234.752 2.047 20 0 BEADMN C[C@@H]1CCC[N@H+]1CCNCc1cc(C2CC2)no1 ZINC000877153974 590293264 /nfs/dbraw/zinc/29/32/64/590293264.db2.gz LKMIMCRBJHMCNR-LLVKDONJSA-N 0 1 249.358 2.126 20 0 BEADMN CCCn1cc(CN(C)C[C@@H]2CC=CCC2)nn1 ZINC000877307317 590310782 /nfs/dbraw/zinc/31/07/82/590310782.db2.gz GDDJLXUIRMMIDT-CYBMUJFWSA-N 0 1 248.374 2.476 20 0 BEADMN NCc1ccc(C(=O)NCCC[C@H]2C=CCC2)o1 ZINC000877309780 590312397 /nfs/dbraw/zinc/31/23/97/590312397.db2.gz SLJGMYCYKXRNOM-NSHDSACASA-N 0 1 248.326 2.215 20 0 BEADMN CCC[C@@H](CN1CCC[C@H]1c1ncc[nH]1)OC ZINC000877344727 590319054 /nfs/dbraw/zinc/31/90/54/590319054.db2.gz MYAHPWYABSYRBU-RYUDHWBXSA-N 0 1 237.347 2.362 20 0 BEADMN C[C@@H]1CN(CC2(C)CCCC2)C[C@@H](C)S1=O ZINC000877474072 590336062 /nfs/dbraw/zinc/33/60/62/590336062.db2.gz VTCFKEQSZDVLBP-VXGBXAGGSA-N 0 1 243.416 2.408 20 0 BEADMN O=c1[nH]ccc2oc(CN3CC(C4CC4)C3)cc21 ZINC000877542208 590351664 /nfs/dbraw/zinc/35/16/64/590351664.db2.gz PZDOBPKYFKSOTN-UHFFFAOYSA-N 0 1 244.294 2.375 20 0 BEADMN FCC(CF)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000877555903 590356055 /nfs/dbraw/zinc/35/60/55/590356055.db2.gz GMFZOVHTRCAAPZ-TUAOUCFPSA-N 0 1 245.313 2.231 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877567947 590361461 /nfs/dbraw/zinc/36/14/61/590361461.db2.gz VQMDWIVWUGXQST-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN OC[C@@H]1CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877575248 590363350 /nfs/dbraw/zinc/36/33/50/590363350.db2.gz LMSUAHYBSTUOKE-YUMQZZPRSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2nc(Cl)cs2)O1 ZINC000877579330 590364078 /nfs/dbraw/zinc/36/40/78/590364078.db2.gz XSXWTSGHICUHQL-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN CCC1CN(Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877579224 590364341 /nfs/dbraw/zinc/36/43/41/590364341.db2.gz OVVGPXKAUVUBCQ-UHFFFAOYSA-N 0 1 232.283 2.375 20 0 BEADMN CCC1(C)CN(Cc2cnc3c(cnn3C)c2)C1 ZINC000877582443 590367188 /nfs/dbraw/zinc/36/71/88/590367188.db2.gz WDAPAWRSIIUSNV-UHFFFAOYSA-N 0 1 244.342 2.200 20 0 BEADMN Clc1csc(CN[C@H]2CC23CC3)n1 ZINC000877597166 590371318 /nfs/dbraw/zinc/37/13/18/590371318.db2.gz BSTWFXUBVQXSCX-LURJTMIESA-N 0 1 214.721 2.439 20 0 BEADMN Clc1ccc(CNCC2=CCCC2)nn1 ZINC000877636515 590381131 /nfs/dbraw/zinc/38/11/31/590381131.db2.gz ZMOQRVTYTBZFMB-UHFFFAOYSA-N 0 1 223.707 2.330 20 0 BEADMN Cc1cnc(CN2CCC(CCF)CC2)cn1 ZINC000877674186 590390505 /nfs/dbraw/zinc/39/05/05/590390505.db2.gz NMZPQUPNZONPSJ-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN Cc1ccc(CN2CCC(C)(F)CC2)nn1 ZINC000877700202 590393824 /nfs/dbraw/zinc/39/38/24/590393824.db2.gz IEEDCVQRFGQXLD-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN Cn1ncc(CN2CCC[C@H](C3CCC3)CC2)n1 ZINC000877703564 590397391 /nfs/dbraw/zinc/39/73/91/590397391.db2.gz OQUFHFYEUBDOPI-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3CSC[C@@H]3C2)o1 ZINC000877738513 590407006 /nfs/dbraw/zinc/40/70/06/590407006.db2.gz OFPRXHSRZFFZDA-MNOVXSKESA-N 0 1 238.356 2.168 20 0 BEADMN Cc1cc(CN2C[C@@H](O)CC(C)(C)C2)sn1 ZINC000877751624 590415763 /nfs/dbraw/zinc/41/57/63/590415763.db2.gz IBNDQPHICILXLV-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN COc1ccc([C@@H]2CN(CC3CC3)CCO2)cc1 ZINC000877756907 590417885 /nfs/dbraw/zinc/41/78/85/590417885.db2.gz CCXLMWKZFUWNDU-HNNXBMFYSA-N 0 1 247.338 2.479 20 0 BEADMN C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H](C)O1 ZINC000877900895 590443798 /nfs/dbraw/zinc/44/37/98/590443798.db2.gz GDWNHZCPDXLXOL-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)C[C@H](C)O1 ZINC000877900895 590443799 /nfs/dbraw/zinc/44/37/99/590443799.db2.gz GDWNHZCPDXLXOL-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCCCC1 ZINC000877908876 590445332 /nfs/dbraw/zinc/44/53/32/590445332.db2.gz ZHMIURDLOHBNGS-GWCFXTLKSA-N 0 1 247.342 2.088 20 0 BEADMN CCCCCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000877910205 590445789 /nfs/dbraw/zinc/44/57/89/590445789.db2.gz MPZICBYVEJKTQQ-ZWNOBZJWSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)[C@H](C)CO1 ZINC000877920545 590447732 /nfs/dbraw/zinc/44/77/32/590447732.db2.gz QHNFLPKSHJJTBR-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H]1CN(C[C@H]2CC3(CCC3)CO2)CCO1 ZINC000877957452 590457482 /nfs/dbraw/zinc/45/74/82/590457482.db2.gz KRMYGWPKZNQBQE-QWHCGFSZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H]1CN(C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000877957453 590457982 /nfs/dbraw/zinc/45/79/82/590457982.db2.gz KRMYGWPKZNQBQE-STQMWFEESA-N 0 1 239.359 2.056 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000126808272 590458619 /nfs/dbraw/zinc/45/86/19/590458619.db2.gz MSKMUIZRRWGGQX-JTQLQIEISA-N 0 1 233.377 2.315 20 0 BEADMN CC[N@@H+](Cc1nccn1CC(F)F)C(C)C ZINC000877983878 590465781 /nfs/dbraw/zinc/46/57/81/590465781.db2.gz VUTJEHKLJGWWPI-UHFFFAOYSA-N 0 1 231.290 2.379 20 0 BEADMN CCN(Cc1nccn1CC(F)F)C(C)C ZINC000877983878 590465782 /nfs/dbraw/zinc/46/57/82/590465782.db2.gz VUTJEHKLJGWWPI-UHFFFAOYSA-N 0 1 231.290 2.379 20 0 BEADMN CC[N@@H+](CCOC)C[C@@H]1CCC(C)(C)CO1 ZINC000877993564 590467687 /nfs/dbraw/zinc/46/76/87/590467687.db2.gz QTAZPRMPEACBCO-LBPRGKRZSA-N 0 1 229.364 2.160 20 0 BEADMN C[C@@H]1CN(CCCOC(F)(F)F)CCS1 ZINC000878054577 590473526 /nfs/dbraw/zinc/47/35/26/590473526.db2.gz GZHHWHQUQPYCNM-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN CC[C@H]1CCCN1CC(=O)Nc1ncccc1C ZINC000878046408 590479818 /nfs/dbraw/zinc/47/98/18/590479818.db2.gz YWSNPJUTMXPBHA-LBPRGKRZSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1ccc(CN(C)CC[C@H](C)O)nc1Cl ZINC000878133382 590503711 /nfs/dbraw/zinc/50/37/11/590503711.db2.gz KCYBXXBIGTWQQG-JTQLQIEISA-N 0 1 242.750 2.246 20 0 BEADMN CC1(C)CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000878154645 590508191 /nfs/dbraw/zinc/50/81/91/590508191.db2.gz YPCNBUFMKPPUSJ-XQQFMLRXSA-N 0 1 239.359 2.197 20 0 BEADMN c1[nH]nc2c1CCN(CC1CC3(CCC3)C1)C2 ZINC000878290608 590535419 /nfs/dbraw/zinc/53/54/19/590535419.db2.gz BGUGSWGOPATXLJ-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN C[C@H](CO)N(C)Cc1cc(C(F)(F)F)co1 ZINC000878297627 590536287 /nfs/dbraw/zinc/53/62/87/590536287.db2.gz LRPBBSDECXXOPG-SSDOTTSWSA-N 0 1 237.221 2.111 20 0 BEADMN Cc1conc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000878328119 590547582 /nfs/dbraw/zinc/54/75/82/590547582.db2.gz BBMSKIBYBIDUCD-ZJUUUORDSA-N 0 1 208.305 2.461 20 0 BEADMN CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000878347629 590552825 /nfs/dbraw/zinc/55/28/25/590552825.db2.gz OTHMWRJIGYCNSE-ZWNOBZJWSA-N 0 1 249.358 2.333 20 0 BEADMN C=C/C=C\CCN[C@@H](C)c1nnc(C)o1 ZINC000878427801 590565099 /nfs/dbraw/zinc/56/50/99/590565099.db2.gz XARLCUMSBGZJQT-UDIARPCQSA-N 0 1 207.277 2.161 20 0 BEADMN CC(C)OC[C@@H]1CN(CCCC2CC2)CCO1 ZINC000878446140 590568501 /nfs/dbraw/zinc/56/85/01/590568501.db2.gz CYEGAELPFIEZRD-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H]1CN(CCCC2CC2)C[C@H](C)S1=O ZINC000878503992 590582224 /nfs/dbraw/zinc/58/22/24/590582224.db2.gz VTGBFDYXONSQEU-QWRGUYRKSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1conc1CN1CC[C@H](c2ccccn2)C1 ZINC000878552385 590591141 /nfs/dbraw/zinc/59/11/41/590591141.db2.gz CRKNMBRMJPSHKT-LBPRGKRZSA-N 0 1 243.310 2.368 20 0 BEADMN CC[C@@H]1CN(CCCC2CC2)C[C@H](C)[S@]1=O ZINC000878607113 590595498 /nfs/dbraw/zinc/59/54/98/590595498.db2.gz UGAFLGGXZYYBMT-NORZTCDRSA-N 0 1 243.416 2.408 20 0 BEADMN CC[C@@H]1CN(CCCC2CC2)C[C@@H](C)[S@@]1=O ZINC000878607112 590595657 /nfs/dbraw/zinc/59/56/57/590595657.db2.gz UGAFLGGXZYYBMT-KFNAQCHYSA-N 0 1 243.416 2.408 20 0 BEADMN CC1(C)CCN(CCCC2CC2)CC[S@@]1=O ZINC000878682335 590608272 /nfs/dbraw/zinc/60/82/72/590608272.db2.gz IIRIQEBRWRDMTR-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1n[n-]c(=O)o1)CC(C)(C)C ZINC000878726115 590616652 /nfs/dbraw/zinc/61/66/52/590616652.db2.gz JLPAYJHIRQRJLB-SECBINFHSA-N 0 1 241.335 2.279 20 0 BEADMN C[N@H+]1CCN(C/C=C/Cl)C[C@H]1C(C)(C)C ZINC000878841788 590630486 /nfs/dbraw/zinc/63/04/86/590630486.db2.gz ZGMOHFAAWYLMQD-QRGHLMKCSA-N 0 1 230.783 2.401 20 0 BEADMN FCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878902970 590643091 /nfs/dbraw/zinc/64/30/91/590643091.db2.gz BFKQOSSMYNLIEW-GFCCVEGCSA-N 0 1 245.301 2.389 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cnc[nH]1 ZINC000878907884 590644979 /nfs/dbraw/zinc/64/49/79/590644979.db2.gz RJIWCVUNGJAZFI-ZWNOBZJWSA-N 0 1 235.331 2.242 20 0 BEADMN Cc1conc1CN(C)C[C@H]1CC1(C)C ZINC000879008011 590677194 /nfs/dbraw/zinc/67/71/94/590677194.db2.gz MSMLNPNWXMFBBD-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN C[C@@H]1CCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879024769 590679920 /nfs/dbraw/zinc/67/99/20/590679920.db2.gz ONPRBISCAWOSHB-GIPNMCIBSA-N 0 1 247.342 2.087 20 0 BEADMN COc1cccc2c1CN(CC[C@H](O)C(C)C)C2 ZINC000879054128 590688412 /nfs/dbraw/zinc/68/84/12/590688412.db2.gz KNIFQDWJEAWBOH-AWEZNQCLSA-N 0 1 249.354 2.418 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cc(C(F)F)[nH]n1 ZINC000879196792 590711840 /nfs/dbraw/zinc/71/18/40/590711840.db2.gz FJEVLJSUDLXFOL-LURJTMIESA-N 0 1 247.245 2.149 20 0 BEADMN CCc1nocc1CN1C[C@H](OC)CC[C@H]1C ZINC000879324227 590744374 /nfs/dbraw/zinc/74/43/74/590744374.db2.gz FXFRJGSNKNNZSR-ZYHUDNBSSA-N 0 1 238.331 2.236 20 0 BEADMN c1nonc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000879426324 590766394 /nfs/dbraw/zinc/76/63/94/590766394.db2.gz GLRAZADPOVHMAZ-GFCCVEGCSA-N 0 1 235.331 2.472 20 0 BEADMN c1nonc1CN1CCC[C@H](C2CCC2)CC1 ZINC000879426325 590766480 /nfs/dbraw/zinc/76/64/80/590766480.db2.gz GLRAZADPOVHMAZ-LBPRGKRZSA-N 0 1 235.331 2.472 20 0 BEADMN CC(=O)c1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)on1 ZINC000879530080 590791135 /nfs/dbraw/zinc/79/11/35/590791135.db2.gz LLRVSHMQKIMJEO-TXEJJXNPSA-N 0 1 246.310 2.275 20 0 BEADMN C1=CC[C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2C1 ZINC000879529138 590791494 /nfs/dbraw/zinc/79/14/94/590791494.db2.gz RMQQXQANRCEXAC-TXEJJXNPSA-N 0 1 245.326 2.345 20 0 BEADMN C[C@@H]1CN(c2nc(Cl)cs2)C[C@H](C)N1C ZINC000127829288 590795164 /nfs/dbraw/zinc/79/51/64/590795164.db2.gz RKCTUGDJCWORGB-OCAPTIKFSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@H]1CCN[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000127910974 590842158 /nfs/dbraw/zinc/84/21/58/590842158.db2.gz LZWYFAXEBDXDII-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1ccc(CN[C@H](C)c2ccnn2C)c(C)n1 ZINC000879686530 590848696 /nfs/dbraw/zinc/84/86/96/590848696.db2.gz COKCXVQLCSYLRJ-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN c1cc(CNC2([C@H]3CCCCO3)CCC2)on1 ZINC000879731702 590856311 /nfs/dbraw/zinc/85/63/11/590856311.db2.gz QNSLGOYNPJPHTA-GFCCVEGCSA-N 0 1 236.315 2.256 20 0 BEADMN C[C@]1(C2CCCCC2)CC[N@H+]1CC1OCCO1 ZINC000879789724 590870304 /nfs/dbraw/zinc/87/03/04/590870304.db2.gz GJDSWDPZRUHGPS-CQSZACIVSA-N 0 1 239.359 2.404 20 0 BEADMN CC(=O)CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997632 590907284 /nfs/dbraw/zinc/90/72/84/590907284.db2.gz QGQAYJMQXGGBCO-HNNXBMFYSA-N 0 1 229.323 2.165 20 0 BEADMN FC[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000880237437 590967833 /nfs/dbraw/zinc/96/78/33/590967833.db2.gz WKEQTIQGEXSDAS-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN COc1ncccc1CN1CCC[C@H](CF)C1 ZINC000880237589 590968206 /nfs/dbraw/zinc/96/82/06/590968206.db2.gz YEXXZLNHBWMEFH-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1nnsc1CN1CCC[C@H](CF)C1 ZINC000880238583 590971616 /nfs/dbraw/zinc/97/16/16/590971616.db2.gz VGAUUFJXQMCLJF-SECBINFHSA-N 0 1 229.324 2.028 20 0 BEADMN CCOC(=O)[C@@H](CC(C)C)N1CCC(F)CC1 ZINC000880239648 590972913 /nfs/dbraw/zinc/97/29/13/590972913.db2.gz BDJQVLZKNXSCKZ-GFCCVEGCSA-N 0 1 245.338 2.398 20 0 BEADMN Cc1ncsc1CN1CCC(F)CC1 ZINC000880239384 590973275 /nfs/dbraw/zinc/97/32/75/590973275.db2.gz GFPMDMRAOFECSZ-UHFFFAOYSA-N 0 1 214.309 2.385 20 0 BEADMN CCOc1cccc(CN2CCC(F)CC2)n1 ZINC000880240410 590974285 /nfs/dbraw/zinc/97/42/85/590974285.db2.gz YNYFUCQHGXQWRK-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1cccn2cc(CN3CC[C@H](CF)C3)nc12 ZINC000880296059 590991464 /nfs/dbraw/zinc/99/14/64/590991464.db2.gz SOGJYBLUVNSQKY-GFCCVEGCSA-N 0 1 247.317 2.434 20 0 BEADMN FC[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000880298862 590992092 /nfs/dbraw/zinc/99/20/92/590992092.db2.gz LNBYECPXFGTGQQ-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN CCCS(=O)(=O)CCN(CC)[C@H](C)C(C)C ZINC000128448431 591060340 /nfs/dbraw/zinc/06/03/40/591060340.db2.gz GJLWCRSBHUGCGU-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1cc(Cl)ccc1CN1CC=C[C@H]1CO ZINC000880489762 591065939 /nfs/dbraw/zinc/06/59/39/591065939.db2.gz YCNPVUKSEVYZDN-ZDUSSCGKSA-N 0 1 237.730 2.381 20 0 BEADMN CSc1ccccc1CN1CC=C[C@H]1CO ZINC000880489281 591066512 /nfs/dbraw/zinc/06/65/12/591066512.db2.gz RKTUXMXCGHNCOC-LBPRGKRZSA-N 0 1 235.352 2.141 20 0 BEADMN FCCN1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554174 591089641 /nfs/dbraw/zinc/08/96/41/591089641.db2.gz UZXZRYRMRUHPBF-ZDUSSCGKSA-N 0 1 234.318 2.441 20 0 BEADMN c1c(CNC2CC2)nnn1CC1CC2(CCC2)C1 ZINC000881426835 591202960 /nfs/dbraw/zinc/20/29/60/591202960.db2.gz UNEXJDPLWWAYPF-UHFFFAOYSA-N 0 1 246.358 2.110 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)c1ccc2cncn2c1 ZINC000881497582 591220343 /nfs/dbraw/zinc/22/03/43/591220343.db2.gz CLUYEMFJLDUKDJ-LLVKDONJSA-N 0 1 241.294 2.030 20 0 BEADMN CCC[C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC000881530164 591230625 /nfs/dbraw/zinc/23/06/25/591230625.db2.gz WJLJJPYWNGVION-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H](C)CCNC(=O)[C@H]1CCCCN1C ZINC000881530058 591230776 /nfs/dbraw/zinc/23/07/76/591230776.db2.gz OCTMZSWDMBMKSZ-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)(CNC(=O)C(F)(F)F)CC(F)F ZINC000881534954 591232379 /nfs/dbraw/zinc/23/23/79/591232379.db2.gz DHSLRRSLTJUPJG-UHFFFAOYSA-N 0 1 233.180 2.346 20 0 BEADMN CCc1cc(CNc2cc(C3CC3)ncn2)n[nH]1 ZINC000881978604 591284946 /nfs/dbraw/zinc/28/49/46/591284946.db2.gz WLYREETWBSWBFN-UHFFFAOYSA-N 0 1 243.314 2.252 20 0 BEADMN CN(C)CC(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000882022107 591288068 /nfs/dbraw/zinc/28/80/68/591288068.db2.gz ODLYBLVPKPLWLE-OAHLLOKOSA-N 0 1 246.354 2.086 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CC1CCCCC1 ZINC000882477127 591355510 /nfs/dbraw/zinc/35/55/10/591355510.db2.gz HBJMEWYUAZODMX-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC000882479455 591356376 /nfs/dbraw/zinc/35/63/76/591356376.db2.gz WPDQYCOJQZXREZ-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CCC1CCCC1 ZINC000882479450 591356490 /nfs/dbraw/zinc/35/64/90/591356490.db2.gz WMLBFZOILDJLGW-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000882478873 591356556 /nfs/dbraw/zinc/35/65/56/591356556.db2.gz HSADUMCALSXMQI-CQSZACIVSA-N 0 1 246.354 2.127 20 0 BEADMN CCCC[C@H](C)C(=O)NC[C@H]1CCN1CC ZINC000882491318 591368483 /nfs/dbraw/zinc/36/84/83/591368483.db2.gz DRMJTKYDHVLEPI-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCCC(C)(C)C(=O)NC[C@@H]1CCN1CC ZINC000882494256 591374346 /nfs/dbraw/zinc/37/43/46/591374346.db2.gz IBRQOQFESNMFMI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC ZINC000882493745 591375199 /nfs/dbraw/zinc/37/51/99/591375199.db2.gz LDOSNJAKGHRNFW-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC000882493509 591376189 /nfs/dbraw/zinc/37/61/89/591376189.db2.gz ICTWGWQBYXPSRT-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1c(C)[nH]n(-c2cccnc2Cl)c1=O ZINC000129806123 591410197 /nfs/dbraw/zinc/41/01/97/591410197.db2.gz OVVGPTGINQVDMB-QMMMGPOBSA-N 0 1 237.690 2.484 20 0 BEADMN Cc1ccnc(NC[C@H](CO)Cc2ccoc2)c1 ZINC000882866310 591456881 /nfs/dbraw/zinc/45/68/81/591456881.db2.gz JTXVOLHXQMYMQM-CYBMUJFWSA-N 0 1 246.310 2.246 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@H]2CCCCO2)n1 ZINC000882921354 591474649 /nfs/dbraw/zinc/47/46/49/591474649.db2.gz FFSFDEKZUBONAO-NSHDSACASA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)C[C@H](CO)NCc1nc(C(C)C)c[nH]1 ZINC000882915386 591474871 /nfs/dbraw/zinc/47/48/71/591474871.db2.gz OPICKWPIBJNWTP-LLVKDONJSA-N 0 1 239.363 2.030 20 0 BEADMN CC(C)C(N)=NOCc1cnc(C2CC2)o1 ZINC000882987959 591494683 /nfs/dbraw/zinc/49/46/83/591494683.db2.gz VINNPUIHEWQYED-UHFFFAOYSA-N 0 1 223.276 2.206 20 0 BEADMN Cc1cc(F)c(CN[C@@H](CO)C2CC2)c(F)c1 ZINC000883002491 591504332 /nfs/dbraw/zinc/50/43/32/591504332.db2.gz HMTAMGPYGPUMTK-ZDUSSCGKSA-N 0 1 241.281 2.134 20 0 BEADMN CSC[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883014015 591514277 /nfs/dbraw/zinc/51/42/77/591514277.db2.gz GIYNIANPCRNLCW-SECBINFHSA-N 0 1 227.377 2.374 20 0 BEADMN CS[C@H](C)CNCc1nc(C(C)C)c[nH]1 ZINC000883074294 591535321 /nfs/dbraw/zinc/53/53/21/591535321.db2.gz SNWRAGKQJMVOSQ-SECBINFHSA-N 0 1 227.377 2.374 20 0 BEADMN CS[C@@H](C)CNCc1nc(C(C)C)c[nH]1 ZINC000883074295 591536118 /nfs/dbraw/zinc/53/61/18/591536118.db2.gz SNWRAGKQJMVOSQ-VIFPVBQESA-N 0 1 227.377 2.374 20 0 BEADMN Cc1cc(CN[C@H]2CCO[C@@H](C3CC3)C2)no1 ZINC000883088760 591538291 /nfs/dbraw/zinc/53/82/91/591538291.db2.gz PLNNWFZLFYRRAY-WCQYABFASA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2COC3(CCC3)C2)n1 ZINC000883170120 591559004 /nfs/dbraw/zinc/55/90/04/591559004.db2.gz LUVKEODGCNSWJF-LLVKDONJSA-N 0 1 249.358 2.334 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000883193944 591569429 /nfs/dbraw/zinc/56/94/29/591569429.db2.gz JICSNLWKSFIHHM-VWYCJHECSA-N 0 1 237.347 2.189 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000883193941 591569532 /nfs/dbraw/zinc/56/95/32/591569532.db2.gz JICSNLWKSFIHHM-GMTAPVOTSA-N 0 1 237.347 2.189 20 0 BEADMN c1cc(CCNCc2cnc(C3CC3)o2)sn1 ZINC000883239900 591584769 /nfs/dbraw/zinc/58/47/69/591584769.db2.gz YWTQKGOXSITFOY-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CCn1ncc(CNCC(C)(C)CC(F)F)n1 ZINC000883251069 591591830 /nfs/dbraw/zinc/59/18/30/591591830.db2.gz ANFIDADSAAVSQN-UHFFFAOYSA-N 0 1 246.305 2.069 20 0 BEADMN COCc1cc(CNC[C@]2(C)CC2(C)C)no1 ZINC000883252569 591592486 /nfs/dbraw/zinc/59/24/86/591592486.db2.gz NNJYTERZCSGFEY-ZDUSSCGKSA-N 0 1 238.331 2.347 20 0 BEADMN CCn1nc(C)c(CNC[C@@]2(C)CC2(C)C)n1 ZINC000883252784 591593616 /nfs/dbraw/zinc/59/36/16/591593616.db2.gz YMBRBFWLHAFOKW-CYBMUJFWSA-N 0 1 236.363 2.132 20 0 BEADMN C=C/C=C\CCNCc1cn(C2CCC2)nn1 ZINC000883260189 591597596 /nfs/dbraw/zinc/59/75/96/591597596.db2.gz MTSDZTLCCSWTGL-ARJAWSKDSA-N 0 1 232.331 2.225 20 0 BEADMN C[N@H+](C/C=C/Cl)CCC1CCOCC1 ZINC000131368766 591604913 /nfs/dbraw/zinc/60/49/13/591604913.db2.gz XINQYAWOPQMGNS-QHHAFSJGSA-N 0 1 217.740 2.487 20 0 BEADMN CCCCOC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000131455665 591607901 /nfs/dbraw/zinc/60/79/01/591607901.db2.gz VSZYBFJDZASFCT-QWRGUYRKSA-N 0 1 213.321 2.203 20 0 BEADMN C[C@@H]1CC[C@@H]1NC1(c2ncccn2)CCC1 ZINC000883312234 591612629 /nfs/dbraw/zinc/61/26/29/591612629.db2.gz XSRXZVBRSSORJT-MNOVXSKESA-N 0 1 217.316 2.244 20 0 BEADMN Cc1cn[nH]c1CNc1cnc(C)c(C)c1 ZINC000883341803 591620229 /nfs/dbraw/zinc/62/02/29/591620229.db2.gz ZSFJEALFGZQLTG-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](CC)C1 ZINC000131566386 591623165 /nfs/dbraw/zinc/62/31/65/591623165.db2.gz JAVJSOVUFVCEPW-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN C/C(=C\C[N@@H+]1CCCCC[C@H]1C)C(=O)[O-] ZINC000214563926 591634398 /nfs/dbraw/zinc/63/43/98/591634398.db2.gz LHIKVUCKUQGWAM-PFEDMVJOSA-N 0 1 211.305 2.282 20 0 BEADMN C[C@H](CCO)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000883376123 591637217 /nfs/dbraw/zinc/63/72/17/591637217.db2.gz FOXLNNYXBLGLQG-DDTOSNHZSA-N 0 1 237.318 2.373 20 0 BEADMN COC[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000131900646 591675429 /nfs/dbraw/zinc/67/54/29/591675429.db2.gz FMHQXOKXVREPFZ-DTWKUNHWSA-N 0 1 228.723 2.421 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000214654818 591702253 /nfs/dbraw/zinc/70/22/53/591702253.db2.gz GNNCVDVJMPPFKV-JXMROGBWSA-N 0 1 237.274 2.288 20 0 BEADMN Cc1occc1-c1noc([C@@H]2CCCCN2)n1 ZINC000132549698 591718714 /nfs/dbraw/zinc/71/87/14/591718714.db2.gz MLPLAMHLAJZZSF-JTQLQIEISA-N 0 1 233.271 2.453 20 0 BEADMN Cc1cnc(=S)n(CN2CCC[C@@H]2C)c1 ZINC000133327659 591787935 /nfs/dbraw/zinc/78/79/35/591787935.db2.gz IXCULJOTIFKOPK-JTQLQIEISA-N 0 1 223.345 2.363 20 0 BEADMN CCn1cc(CN(C)[C@@H](C)C(C)(C)C)nn1 ZINC000883999648 591789657 /nfs/dbraw/zinc/78/96/57/591789657.db2.gz NQDXZJKRWZMHHG-JTQLQIEISA-N 0 1 224.352 2.164 20 0 BEADMN CCn1cc(CN2CCCC[C@H]2C(C)C)nn1 ZINC000884002687 591792053 /nfs/dbraw/zinc/79/20/53/591792053.db2.gz VRNLSFBWEXPFLA-ZDUSSCGKSA-N 0 1 236.363 2.309 20 0 BEADMN CC[S@](=O)CCN[C@@H](C)c1ccccc1F ZINC000133453689 591797339 /nfs/dbraw/zinc/79/73/39/591797339.db2.gz CEYAJCWFPCAFDW-MGPLVRAMSA-N 0 1 243.347 2.245 20 0 BEADMN CCn1cc(CN2CCC(CC)(CC)C2)nn1 ZINC000884313788 591900331 /nfs/dbraw/zinc/90/03/31/591900331.db2.gz PESQHHRFGXBIRE-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN Cc1cccc(C)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000215462888 591948173 /nfs/dbraw/zinc/94/81/73/591948173.db2.gz HBGOFKRKCWJQGY-LBPRGKRZSA-N 0 1 235.327 2.456 20 0 BEADMN CCCCN(CC)CN1C[C@H](C2CC2)CC1=O ZINC000134744969 591949381 /nfs/dbraw/zinc/94/93/81/591949381.db2.gz IPKYOCMXGZNTTP-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN O=C1C[C@@H](C2CC2)CN1CN1CCC2(CCC2)C1 ZINC000134798775 591950210 /nfs/dbraw/zinc/95/02/10/591950210.db2.gz LXGHVPFJZXDGQZ-CYBMUJFWSA-N 0 1 248.370 2.078 20 0 BEADMN Cc1nccc(N2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000884589624 591989050 /nfs/dbraw/zinc/98/90/50/591989050.db2.gz FPYOFEHJUQLZNS-DTORHVGOSA-N 0 1 208.692 2.500 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000135395087 592010671 /nfs/dbraw/zinc/01/06/71/592010671.db2.gz RLKJAOKFSCSONY-BSKOKIOFSA-N 0 1 231.361 2.091 20 0 BEADMN Cc1coc(C(=O)OCc2nc(C(C)C)n[nH]2)c1 ZINC000884709945 592013209 /nfs/dbraw/zinc/01/32/09/592013209.db2.gz UBPRFJKWXINWFV-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1coc(C(=O)OCc2n[nH]c(C(C)C)n2)c1 ZINC000884709945 592013210 /nfs/dbraw/zinc/01/32/10/592013210.db2.gz UBPRFJKWXINWFV-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2cc(C)co2)n[nH]1 ZINC000884709287 592013546 /nfs/dbraw/zinc/01/35/46/592013546.db2.gz BLXOAMAKWVKNNS-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN CCCOC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885268918 592062279 /nfs/dbraw/zinc/06/22/79/592062279.db2.gz RRYGYBYJCZUIPZ-GZMMTYOYSA-N 0 1 222.288 2.029 20 0 BEADMN Cc1coc(CNCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000885923077 592108743 /nfs/dbraw/zinc/10/87/43/592108743.db2.gz PLHCSJAVTBNGTD-GFCCVEGCSA-N 0 1 236.359 2.410 20 0 BEADMN CN(Cc1cccs1)C[C@](C)(O)C(F)F ZINC000885941528 592111480 /nfs/dbraw/zinc/11/14/80/592111480.db2.gz BNFNHEYQHWMYAD-JTQLQIEISA-N 0 1 235.299 2.196 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@@H]1C[C@@]12CCOC2 ZINC000885941047 592111637 /nfs/dbraw/zinc/11/16/37/592111637.db2.gz YQUQGIQGBNHZMA-VNHYZAJKSA-N 0 1 246.354 2.291 20 0 BEADMN CCN(Cc1ccoc1)C[C@](C)(O)C(F)F ZINC000885981324 592120304 /nfs/dbraw/zinc/12/03/04/592120304.db2.gz CCKVACWPEYCLAM-NSHDSACASA-N 0 1 233.258 2.118 20 0 BEADMN CO[C@H]1CCCN(CCSC(F)(F)F)C1 ZINC000885983468 592120607 /nfs/dbraw/zinc/12/06/07/592120607.db2.gz HOSCYTUNJZIXBN-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN COC[C@@H](NCc1n[nH]c(C)c1C)c1ccco1 ZINC000886007940 592129067 /nfs/dbraw/zinc/12/90/67/592129067.db2.gz CDXLDKDREWKJDZ-GFCCVEGCSA-N 0 1 249.314 2.097 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC1CCC=CCC1 ZINC000886017611 592132190 /nfs/dbraw/zinc/13/21/90/592132190.db2.gz HYQJGSMNLZJYHT-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN Cc1n[nH]c(CNCc2cncc(C)c2)c1C ZINC000886049433 592139919 /nfs/dbraw/zinc/13/99/19/592139919.db2.gz MBSBUUGXOSUMCI-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1[nH]nc(CNC(C)(C)C(F)F)c1C ZINC000886100519 592154231 /nfs/dbraw/zinc/15/42/31/592154231.db2.gz PDNVFNHBACYCAA-UHFFFAOYSA-N 0 1 217.263 2.160 20 0 BEADMN CC(C)N(CCC(C)(C)C)CCS(C)(=O)=O ZINC000137123231 592154624 /nfs/dbraw/zinc/15/46/24/592154624.db2.gz IOQGCNYAMVSBOR-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1[nH]nc(CNc2cn(C)nc2C(C)C)c1C ZINC000886102248 592154735 /nfs/dbraw/zinc/15/47/35/592154735.db2.gz BRUXVKYKLLWFKV-UHFFFAOYSA-N 0 1 247.346 2.496 20 0 BEADMN Cc1[nH]nc(CNc2cn(C)nc2C2CC2)c1C ZINC000886123308 592158116 /nfs/dbraw/zinc/15/81/16/592158116.db2.gz WOLAPTHMXNFARZ-UHFFFAOYSA-N 0 1 245.330 2.250 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886226500 592180639 /nfs/dbraw/zinc/18/06/39/592180639.db2.gz NHAWWXHPHRUSEE-LSDHHAIUSA-N 0 1 246.354 2.471 20 0 BEADMN c1cnc2c(n1)CCN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886285679 592200523 /nfs/dbraw/zinc/20/05/23/592200523.db2.gz PFTOTEPZBLHEID-OLZOCXBDSA-N 0 1 243.354 2.271 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H](c2nccs2)C1 ZINC000886316469 592206921 /nfs/dbraw/zinc/20/69/21/592206921.db2.gz CJZITTCXEOYMHB-JTQLQIEISA-N 0 1 248.355 2.164 20 0 BEADMN Cc1cccc2nc(CN3C[C@@H]4C[C@@H]4C3)cn21 ZINC000886331269 592210525 /nfs/dbraw/zinc/21/05/25/592210525.db2.gz CWSCZIYHRXGIIX-TXEJJXNPSA-N 0 1 227.311 2.094 20 0 BEADMN CCc1ccc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886338234 592212483 /nfs/dbraw/zinc/21/24/83/592212483.db2.gz IQGAXNKWVNMZGM-BETUJISGSA-N 0 1 244.338 2.139 20 0 BEADMN c1nnn2c1CN([C@@H]1C=CCCCCC1)CCC2 ZINC000886464891 592228606 /nfs/dbraw/zinc/22/86/06/592228606.db2.gz KZRZRAXAPQAUJZ-CYBMUJFWSA-N 0 1 246.358 2.373 20 0 BEADMN CC(C)[C@H](NCc1ccccn1)c1cnn(C)c1 ZINC000886487699 592235019 /nfs/dbraw/zinc/23/50/19/592235019.db2.gz POLPIDFSMIWCQR-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN Cc1ncsc1CCN[C@H](C)c1ncco1 ZINC000886532236 592248692 /nfs/dbraw/zinc/24/86/92/592248692.db2.gz GHNOTORJPCOMKX-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H]1CCc2cccnc21 ZINC000886641649 592287423 /nfs/dbraw/zinc/28/74/23/592287423.db2.gz OLQCDGAOZMHJCP-BZPMIXESSA-N 0 1 232.327 2.226 20 0 BEADMN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1cnccn1 ZINC000886701171 592307024 /nfs/dbraw/zinc/30/70/24/592307024.db2.gz LVWRRBHSXIKTFI-NEPJUHHUSA-N 0 1 247.342 2.086 20 0 BEADMN Cc1nc(CN2CC[C@H]([C@@H]3CCCO3)C2)[nH]c1C ZINC000886815395 592335642 /nfs/dbraw/zinc/33/56/42/592335642.db2.gz CXBYJKPPNRDFJJ-STQMWFEESA-N 0 1 249.358 2.027 20 0 BEADMN c1csc(CN2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000886822093 592344599 /nfs/dbraw/zinc/34/45/99/592344599.db2.gz MDKSJIKZVQWHHH-MNOVXSKESA-N 0 1 238.356 2.144 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000221152848 592396966 /nfs/dbraw/zinc/39/69/66/592396966.db2.gz GSWWBRRLOOYXJR-HBNTYKKESA-N 0 1 223.320 2.018 20 0 BEADMN CN(CCCF)C[C@H](O)c1c(F)cccc1F ZINC000887137636 592453284 /nfs/dbraw/zinc/45/32/84/592453284.db2.gz ORZCIKZUSLWXIF-NSHDSACASA-N 0 1 247.260 2.290 20 0 BEADMN CCOc1ccc(CN(C)CCCF)nc1 ZINC000887138709 592453424 /nfs/dbraw/zinc/45/34/24/592453424.db2.gz ISCXMMLRIQVPBF-UHFFFAOYSA-N 0 1 226.295 2.272 20 0 BEADMN Cc1ccc2nc(CN(C)CCCF)cn2c1 ZINC000887137862 592453921 /nfs/dbraw/zinc/45/39/21/592453921.db2.gz VZYKIEGUPDZYBR-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN CCc1cc(=O)n([C@H]2CC(C)(C)OC2(C)C)[nH]1 ZINC000887296422 592478514 /nfs/dbraw/zinc/47/85/14/592478514.db2.gz BKVDBLBTFBCQOH-JTQLQIEISA-N 0 1 238.331 2.331 20 0 BEADMN Cc1n[nH]c(C(=O)NCC(C)(C)C2CC2)c1C ZINC000887377979 592497885 /nfs/dbraw/zinc/49/78/85/592497885.db2.gz LRKINSPQOWICOS-UHFFFAOYSA-N 0 1 235.331 2.193 20 0 BEADMN CSC[C@@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000300783770 592520035 /nfs/dbraw/zinc/52/00/35/592520035.db2.gz VJYJPGRRUXQSKE-HTQZYQBOSA-N 0 1 229.349 2.192 20 0 BEADMN CC(C)C1(O)CN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000301015669 592527379 /nfs/dbraw/zinc/52/73/79/592527379.db2.gz YNBDHXXAERJQMG-SNVBAGLBSA-N 0 1 233.302 2.125 20 0 BEADMN Cc1[nH]ncc1CNC(=O)NC1CCC=CCC1 ZINC000887762465 592548778 /nfs/dbraw/zinc/54/87/78/592548778.db2.gz ZNZBLUIKNDQZMQ-UHFFFAOYSA-N 0 1 248.330 2.016 20 0 BEADMN Cc1cccc(C)c1CN(C)C(=O)c1ccn[nH]1 ZINC000887962105 592563972 /nfs/dbraw/zinc/56/39/72/592563972.db2.gz QTZJKZCXMWEZBH-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000104429400 592612875 /nfs/dbraw/zinc/61/28/75/592612875.db2.gz CBLXUVCRTLRCFN-GFCCVEGCSA-N 0 1 236.315 2.092 20 0 BEADMN C[C@@H](C(=O)NC[C@H]1CCC=CCCC1)N(C)C ZINC000890047538 592670532 /nfs/dbraw/zinc/67/05/32/592670532.db2.gz SMTTZFYGYRQCOA-STQMWFEESA-N 0 1 238.375 2.189 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)cc1 ZINC000740126123 601962687 /nfs/dbraw/zinc/96/26/87/601962687.db2.gz KKBKWQOPQNVLGI-CYBMUJFWSA-N 0 1 248.326 2.085 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2cccnc21 ZINC000037932873 596999709 /nfs/dbraw/zinc/99/97/09/596999709.db2.gz VRMUFFRNAMDXIV-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914641 597072092 /nfs/dbraw/zinc/07/20/92/597072092.db2.gz PRGQYTYGKLWMMW-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000230361138 597074638 /nfs/dbraw/zinc/07/46/38/597074638.db2.gz DIIHZSZDTFVLPC-NWDGAFQWSA-N 0 1 223.316 2.282 20 0 BEADMN CCCc1[nH+]ccn1CCCCC(=O)[O-] ZINC000070535647 597757457 /nfs/dbraw/zinc/75/74/57/597757457.db2.gz YMMHZAWIDHNSRU-UHFFFAOYSA-N 0 1 210.277 2.091 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1C1CC1 ZINC000706429812 597775285 /nfs/dbraw/zinc/77/52/85/597775285.db2.gz CAWLWOMKAXZGGM-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN COC1CCC([N@@H+](C)CCCCC(=O)[O-])CC1 ZINC000719382568 597780593 /nfs/dbraw/zinc/78/05/93/597780593.db2.gz VVCUEXCTHDZXFX-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000738571376 597792447 /nfs/dbraw/zinc/79/24/47/597792447.db2.gz UNPPMROLCZRCKK-GFCCVEGCSA-N 0 1 236.315 2.407 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000381158064 597811685 /nfs/dbraw/zinc/81/16/85/597811685.db2.gz QQMOIDJRNCVONJ-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000381158063 597811704 /nfs/dbraw/zinc/81/17/04/597811704.db2.gz QQMOIDJRNCVONJ-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCC(=O)[O-])c1nccs1 ZINC000309601151 597816380 /nfs/dbraw/zinc/81/63/80/597816380.db2.gz KBYSIEGIDWAIHL-VIFPVBQESA-N 0 1 242.344 2.043 20 0 BEADMN CCc1ccc(C[N@@H+](C)CCC(=O)[O-])s1 ZINC000037932917 598126676 /nfs/dbraw/zinc/12/66/76/598126676.db2.gz NSPQRIOVGLWZIC-UHFFFAOYSA-N 0 1 227.329 2.217 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000086774912 598126702 /nfs/dbraw/zinc/12/67/02/598126702.db2.gz LYCKYNCWXLMWTM-UHFFFAOYSA-N 0 1 247.216 2.010 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000084073473 598128694 /nfs/dbraw/zinc/12/86/94/598128694.db2.gz DHMKTUITNNMEQY-JTQLQIEISA-N 0 1 245.278 2.339 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cncc2ccccc21 ZINC000165280428 598131777 /nfs/dbraw/zinc/13/17/77/598131777.db2.gz BBLNXICWESJGDH-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000229551510 598151769 /nfs/dbraw/zinc/15/17/69/598151769.db2.gz ONNTUXVHGOBYMT-LLVKDONJSA-N 0 1 237.299 2.275 20 0 BEADMN CN(Cc1ccsc1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000035126598 598218459 /nfs/dbraw/zinc/21/84/59/598218459.db2.gz PJQLAPUHVCAXBC-UHFFFAOYSA-N 0 1 248.307 2.478 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000308183140 599755033 /nfs/dbraw/zinc/75/50/33/599755033.db2.gz XNTIDOYWAGMTTK-AZVKUDOFSA-N 0 1 217.696 2.068 20 0 BEADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])C1CCC1 ZINC000706850718 600432637 /nfs/dbraw/zinc/43/26/37/600432637.db2.gz XWQAIRHDKIMSLR-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CCc1ccc([C@H]2CCC[N@H+]2CC(=O)[O-])o1 ZINC000309377751 600461999 /nfs/dbraw/zinc/46/19/99/600461999.db2.gz RMXTXKUEHNCFPU-SNVBAGLBSA-N 0 1 223.272 2.064 20 0 BEADMN Cc1[nH+]ccn1CCCSC[C@@H](C)C(=O)[O-] ZINC000699506990 600597864 /nfs/dbraw/zinc/59/78/64/600597864.db2.gz XRBNZMMLMTWMLP-SECBINFHSA-N 0 1 242.344 2.036 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000309751816 600862120 /nfs/dbraw/zinc/86/21/20/600862120.db2.gz KRVXPBAFNKBUGT-NXEZZACHSA-N 0 1 223.272 2.137 20 0 BEADMN C[C@H]1c2ccccc2C[N@@H+]1CCCC(=O)[O-] ZINC000381167211 601116604 /nfs/dbraw/zinc/11/66/04/601116604.db2.gz SQKOALJZWJZZEH-JTQLQIEISA-N 0 1 219.284 2.428 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1cccc(C)c1)C(=O)[O-] ZINC000088630448 601158010 /nfs/dbraw/zinc/15/80/10/601158010.db2.gz ONNUBJAZRHYTIN-GHXNOFRVSA-N 0 1 233.311 2.458 20 0 BEADMN CCC[N@@H+](C/C=C(\C)C(=O)[O-])CC(C)C ZINC000379803127 601159733 /nfs/dbraw/zinc/15/97/33/601159733.db2.gz MXUPXASQQOUAJL-IZZDOVSWSA-N 0 1 213.321 2.385 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])[C@H](C)C(C)C ZINC000706665102 601167623 /nfs/dbraw/zinc/16/76/23/601167623.db2.gz GCHMAUOSAHYOOO-ZJRUKIMVSA-N 0 1 213.321 2.384 20 0 BEADMN C/C(=C/C[N@H+]1CCS[C@H](C(C)C)C1)C(=O)[O-] ZINC000707300751 601178507 /nfs/dbraw/zinc/17/85/07/601178507.db2.gz BSMOMZODLUNODM-FGUAACIASA-N 0 1 243.372 2.091 20 0 BEADMN Cc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000706889897 601339370 /nfs/dbraw/zinc/33/93/70/601339370.db2.gz WMRXWDCVBCUXCY-MWLCHTKSSA-N 0 1 235.283 2.271 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000706735150 601339548 /nfs/dbraw/zinc/33/95/48/601339548.db2.gz LEUCSKBLERTZMW-CHWSQXEVSA-N 0 1 231.295 2.369 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000162095023 601428469 /nfs/dbraw/zinc/42/84/69/601428469.db2.gz FBGHMQBEKWQWQN-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])[C@H]1C ZINC000380624119 601448987 /nfs/dbraw/zinc/44/89/87/601448987.db2.gz HHCILFDVODXVTK-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000082557777 601500914 /nfs/dbraw/zinc/50/09/14/601500914.db2.gz RFYDUIVUFJZDRS-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000223837995 601524781 /nfs/dbraw/zinc/52/47/81/601524781.db2.gz MXWDPCRIXLACII-OCCSQVGLSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCc2cccs2)C1 ZINC000082602665 601913146 /nfs/dbraw/zinc/91/31/46/601913146.db2.gz UPXVTTJUZXXHEZ-GFCCVEGCSA-N 0 1 239.340 2.087 20 0 BEADMN CCC[C@H]1CCC[N@H+]([C@H](CC)C(=O)[O-])C1 ZINC000248816234 601967077 /nfs/dbraw/zinc/96/70/77/601967077.db2.gz DAQAPPOOTGWJOQ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000740183104 601948514 /nfs/dbraw/zinc/94/85/14/601948514.db2.gz IZEZTOIQYQNCAP-GFCCVEGCSA-N 0 1 248.326 2.085 20 0 BEADMN O=C([O-])NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000740640572 601953834 /nfs/dbraw/zinc/95/38/34/601953834.db2.gz ADAVLZFDJSPACC-LBPRGKRZSA-N 0 1 240.347 2.156 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC1CC1 ZINC000250827698 602033903 /nfs/dbraw/zinc/03/39/03/602033903.db2.gz HZGJGFYVXJXHAE-TUAOUCFPSA-N 0 1 223.316 2.114 20 0 BEADMN CC[C@@H]1CCC[N@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000739269789 602182711 /nfs/dbraw/zinc/18/27/11/602182711.db2.gz WFXMZSQGXYBWJE-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000738821180 602260347 /nfs/dbraw/zinc/26/03/47/602260347.db2.gz OZZRDTVPVRRQFO-GHMZBOCLSA-N 0 1 228.336 2.153 20 0 BEADMN CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739331395 602275906 /nfs/dbraw/zinc/27/59/06/602275906.db2.gz AQMQYFCXDZERQZ-GHMZBOCLSA-N 0 1 228.336 2.297 20 0 BEADMN CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739330662 602450970 /nfs/dbraw/zinc/45/09/70/602450970.db2.gz SUWAYPUGEUDYSE-LLVKDONJSA-N 0 1 228.336 2.108 20 0 BEADMN CN(C[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-] ZINC000739667221 602529756 /nfs/dbraw/zinc/52/97/56/602529756.db2.gz ZUUQAMAHHZFAIZ-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN CN(C[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-] ZINC000739667222 602529907 /nfs/dbraw/zinc/52/99/07/602529907.db2.gz ZUUQAMAHHZFAIZ-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN C[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)CC(C)(C)C ZINC000739639946 602705507 /nfs/dbraw/zinc/70/55/07/602705507.db2.gz WXGXTGBPXKUFMW-LLVKDONJSA-N 0 1 242.363 2.354 20 0 BEADMN CC[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739263304 602705360 /nfs/dbraw/zinc/70/53/60/602705360.db2.gz CCZYTGVDNQNCAL-VXGBXAGGSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739263302 602705540 /nfs/dbraw/zinc/70/55/40/602705540.db2.gz CCZYTGVDNQNCAL-RYUDHWBXSA-N 0 1 240.347 2.251 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000739936322 602709175 /nfs/dbraw/zinc/70/91/75/602709175.db2.gz KVEVUYYIGGZJOE-LBPRGKRZSA-N 0 1 240.347 2.299 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739327777 602767028 /nfs/dbraw/zinc/76/70/28/602767028.db2.gz AEZQJBHYHOACAR-WDEREUQCSA-N 0 1 228.336 2.155 20 0 BEADMN CCCC[N@@H+](CC)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739333970 602977271 /nfs/dbraw/zinc/97/72/71/602977271.db2.gz OEWOIEAJCHNWQK-NSHDSACASA-N 0 1 228.336 2.108 20 0 BEADMN CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000739330130 603021883 /nfs/dbraw/zinc/02/18/83/603021883.db2.gz LACLRCGXORSXRW-NSHDSACASA-N 0 1 228.336 2.299 20 0 BEADMN Cc1ccc([C@H](C)[N@@H+](C)CCNC(=O)[O-])cc1 ZINC000740113293 603083973 /nfs/dbraw/zinc/08/39/73/603083973.db2.gz LFYRBMKPIKWBRG-NSHDSACASA-N 0 1 236.315 2.255 20 0 BEADMN CC[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CCCC1 ZINC000739413634 603324875 /nfs/dbraw/zinc/32/48/75/603324875.db2.gz HPCBECRKLRWEJM-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN O=C([O-])NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000740641728 603335931 /nfs/dbraw/zinc/33/59/31/603335931.db2.gz HEULSPQRZYFDDJ-LBPRGKRZSA-N 0 1 240.347 2.156 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739099046 603346608 /nfs/dbraw/zinc/34/66/08/603346608.db2.gz BWPZVTPWISFNHJ-VXGBXAGGSA-N 0 1 240.347 2.251 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)[C@@H]1C ZINC000739112107 603349572 /nfs/dbraw/zinc/34/95/72/603349572.db2.gz RRLRGLMIRRDNJG-IJLUTSLNSA-N 0 1 240.347 2.107 20 0 BEADMN CCC[N@@H+](C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000826892597 603826576 /nfs/dbraw/zinc/82/65/76/603826576.db2.gz IVKFYSROZPTGCF-SNVBAGLBSA-N 0 1 216.325 2.011 20 0 BEADMN O=C([O-])N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000740596460 604372847 /nfs/dbraw/zinc/37/28/47/604372847.db2.gz YBPXIXKGRDIGPP-WXJAXGNASA-N 0 1 246.310 2.042 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C)c(F)c1 ZINC000086775917 604472354 /nfs/dbraw/zinc/47/23/54/604472354.db2.gz WZXPULSIVBOPEU-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000235467690 604582963 /nfs/dbraw/zinc/58/29/63/604582963.db2.gz AGNZIPRHDQUPJZ-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])o1 ZINC000086791164 604659294 /nfs/dbraw/zinc/65/92/94/604659294.db2.gz DYSLGGWOXYZWDB-SNVBAGLBSA-N 0 1 237.299 2.281 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C(=O)[O-] ZINC000089583849 604670285 /nfs/dbraw/zinc/67/02/85/604670285.db2.gz BOAIXOSXGSWQCB-POOIEITISA-N 0 1 239.359 2.465 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C(=O)[O-] ZINC000089583846 604670433 /nfs/dbraw/zinc/67/04/33/604670433.db2.gz BOAIXOSXGSWQCB-PYNQCMFNSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)CC[C@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000236625887 604674188 /nfs/dbraw/zinc/67/41/88/604674188.db2.gz QFNIDAXXVVOVJI-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN C/C(=C/C[N@H+](C)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000402615467 605408067 /nfs/dbraw/zinc/40/80/67/605408067.db2.gz WGPLPWRPJANCTH-KGTBHZDVSA-N 0 1 223.316 2.305 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@H](C(C)(C)C)C1)C(=O)[O-] ZINC000166397290 605426753 /nfs/dbraw/zinc/42/67/53/605426753.db2.gz YLAUICQLSVFFMU-UAWPZABVSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833843478 605619007 /nfs/dbraw/zinc/61/90/07/605619007.db2.gz ATFZYHFGUYKDDL-WCQYABFASA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)=CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992082 605848584 /nfs/dbraw/zinc/84/85/84/605848584.db2.gz QMMMOMZKECJXBR-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000740596458 605914593 /nfs/dbraw/zinc/91/45/93/605914593.db2.gz YBPXIXKGRDIGPP-LVDDQXARSA-N 0 1 246.310 2.042 20 0 BEADMN CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739262797 605936298 /nfs/dbraw/zinc/93/62/98/605936298.db2.gz FOHGSYBZRRDVTB-STQMWFEESA-N 0 1 248.326 2.480 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc(F)c2O)C1 ZINC000931426772 634434707 /nfs/dbraw/zinc/43/47/07/634434707.db2.gz NRULDIJWDZEDOZ-QMMMGPOBSA-N 0 1 223.247 2.013 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])no1 ZINC000093251537 634490377 /nfs/dbraw/zinc/49/03/77/634490377.db2.gz ZIJNCGDOAMDIAU-VIFPVBQESA-N 0 1 240.303 2.241 20 0 BEADMN CCCSC[C@@H](C)NCc1nnc(C)s1 ZINC000893478308 634524769 /nfs/dbraw/zinc/52/47/69/634524769.db2.gz NTWZFENCZBWCDB-MRVPVSSYSA-N 0 1 245.417 2.468 20 0 BEADMN CCC(F)(F)CN1CCc2nccc(N)c2C1 ZINC000931515689 634530486 /nfs/dbraw/zinc/53/04/86/634530486.db2.gz AGMYMLFHCRSHFO-UHFFFAOYSA-N 0 1 241.285 2.067 20 0 BEADMN Cc1cncc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000335945270 634554537 /nfs/dbraw/zinc/55/45/37/634554537.db2.gz QQIBNTJFLVNJSZ-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](CC)C1 ZINC000159160055 634603289 /nfs/dbraw/zinc/60/32/89/634603289.db2.gz VJOYDIOSTRRUIC-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CCNCc1nc(-c2ccc(C)cc2OC)no1 ZINC000233521440 635537135 /nfs/dbraw/zinc/53/71/35/635537135.db2.gz UTTGKSHHVRTCGN-UHFFFAOYSA-N 0 1 247.298 2.163 20 0 BEADMN C[C@H](N[C@H]1CNOC1)c1cccc(C2CC2)c1 ZINC000925865637 635567120 /nfs/dbraw/zinc/56/71/20/635567120.db2.gz HLABHSUBHTURRF-HZMBPMFUSA-N 0 1 232.327 2.118 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000924250989 635567187 /nfs/dbraw/zinc/56/71/87/635567187.db2.gz PKQTUPLWODIHNI-MWLCHTKSSA-N 0 1 249.314 2.464 20 0 BEADMN CC[C@@H](C[C@@](C)(O)CC)NCc1cocn1 ZINC000925869391 635581064 /nfs/dbraw/zinc/58/10/64/635581064.db2.gz KSDXRUQZLNTGAH-JQWIXIFHSA-N 0 1 226.320 2.094 20 0 BEADMN CCCCCC[N@@H+](C)CC(=O)NC(C)C ZINC000096981997 631223666 /nfs/dbraw/zinc/22/36/66/631223666.db2.gz XAIYDPSRJIBMFN-UHFFFAOYSA-N 0 1 214.353 2.023 20 0 BEADMN CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC000074673229 631237035 /nfs/dbraw/zinc/23/70/35/631237035.db2.gz UEGXUOYCKOWUAS-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN CCc1nocc1CN[C@]12C[C@H]1COC21CCC1 ZINC000933384987 631344415 /nfs/dbraw/zinc/34/44/15/631344415.db2.gz FSVAZWDYAISENW-SMDDNHRTSA-N 0 1 248.326 2.038 20 0 BEADMN CC(C)Cc1ccc(CN2CCC[C@@H](O)C2)cn1 ZINC000891454883 631366237 /nfs/dbraw/zinc/36/62/37/631366237.db2.gz UGKHYNHQFCPYGQ-OAHLLOKOSA-N 0 1 248.370 2.237 20 0 BEADMN Cc1cc(N)nc(N(C)Cc2cccs2)n1 ZINC000891471929 631374092 /nfs/dbraw/zinc/37/40/92/631374092.db2.gz OVOLXUWKIZZWCZ-UHFFFAOYSA-N 0 1 234.328 2.065 20 0 BEADMN Cc1cc(CN[C@@H](C)CF)cnc1Cl ZINC000308505259 631413584 /nfs/dbraw/zinc/41/35/84/631413584.db2.gz DKCAZZRTGMYCFN-QMMMGPOBSA-N 0 1 216.687 2.491 20 0 BEADMN CC[C@H](C)CN(CC)CCS(=O)(=O)C(C)C ZINC000178237510 631431377 /nfs/dbraw/zinc/43/13/77/631431377.db2.gz QCQPRSUFYISWNL-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CCc1nnc(CNCCC(C)C)s1 ZINC000308592361 631435764 /nfs/dbraw/zinc/43/57/64/631435764.db2.gz KVHSJNXJOCGXQG-UHFFFAOYSA-N 0 1 213.350 2.236 20 0 BEADMN CSC[C@H](C)Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000127726230 631455496 /nfs/dbraw/zinc/45/54/96/631455496.db2.gz ILVWRAYYDXCQDE-ZETCQYMHSA-N 0 1 240.328 2.252 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NC/C=C\Cl ZINC000308652438 631467299 /nfs/dbraw/zinc/46/72/99/631467299.db2.gz LOBNDDIIQZKOSK-LGYSABEFSA-N 0 1 213.712 2.132 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc(F)c2O)C[C@H]1C ZINC000933816732 631516939 /nfs/dbraw/zinc/51/69/39/631516939.db2.gz NAKRMPOXWDGAPL-DTORHVGOSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc(F)c2O)C[C@H]1C ZINC000933816737 631517426 /nfs/dbraw/zinc/51/74/26/631517426.db2.gz NAKRMPOXWDGAPL-RKDXNWHRSA-N 0 1 237.274 2.259 20 0 BEADMN O=C([O-])CCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916117 631550056 /nfs/dbraw/zinc/55/00/56/631550056.db2.gz ORXHRRWBMXNZDD-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)o1 ZINC000893900759 635637370 /nfs/dbraw/zinc/63/73/70/635637370.db2.gz PVBAQSQADNBHCE-ZYHUDNBSSA-N 0 1 239.315 2.145 20 0 BEADMN CC(C)CCCCCCNC(=O)c1ncn[nH]1 ZINC000095040750 631585347 /nfs/dbraw/zinc/58/53/47/631585347.db2.gz KLTCCQBFGKGFSU-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN CC(C)CCCCCCNC(=O)c1nc[nH]n1 ZINC000095040750 631585354 /nfs/dbraw/zinc/58/53/54/631585354.db2.gz KLTCCQBFGKGFSU-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H]1CO ZINC000934012060 631588866 /nfs/dbraw/zinc/58/88/66/631588866.db2.gz OXIFABXGOMZPJX-JOYOIKCWSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H](c1ccccc1Cl)N1CC[C@@H]1CO ZINC000934025213 631601152 /nfs/dbraw/zinc/60/11/52/631601152.db2.gz CEFLWFIGYLTPEX-VHSXEESVSA-N 0 1 225.719 2.468 20 0 BEADMN CC(C)Oc1cccc(CN2CC[C@@H]2CO)c1 ZINC000934026346 631604629 /nfs/dbraw/zinc/60/46/29/631604629.db2.gz NLNKZTJWANQYSU-CYBMUJFWSA-N 0 1 235.327 2.040 20 0 BEADMN C[C@@H](c1cccc(Cl)c1)N1CC[C@H]1CO ZINC000934027126 631607880 /nfs/dbraw/zinc/60/78/80/631607880.db2.gz PIXJOMNTUBVLCW-CABZTGNLSA-N 0 1 225.719 2.468 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC)C1 ZINC000247040644 635660235 /nfs/dbraw/zinc/66/02/35/635660235.db2.gz VJOYDIOSTRRUIC-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000247040644 635660239 /nfs/dbraw/zinc/66/02/39/635660239.db2.gz VJOYDIOSTRRUIC-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)SCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000308796999 631649205 /nfs/dbraw/zinc/64/92/05/631649205.db2.gz KPTORBXRMIUBCV-UHFFFAOYSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@@H](NCCC1(C)CC1)c1cc(CO)on1 ZINC000926325267 631671351 /nfs/dbraw/zinc/67/13/51/631671351.db2.gz JSXZAJMYBPJCAQ-SECBINFHSA-N 0 1 224.304 2.008 20 0 BEADMN CC(C)[C@H](NCc1cnc[nH]1)C(F)(F)F ZINC000308844695 631690891 /nfs/dbraw/zinc/69/08/91/631690891.db2.gz LRPJLQASTVXVKK-QMMMGPOBSA-N 0 1 221.226 2.086 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncs2)c(C)nn1 ZINC000934194771 631726007 /nfs/dbraw/zinc/72/60/07/631726007.db2.gz BAEGRPRITVASLI-SNVBAGLBSA-N 0 1 248.355 2.401 20 0 BEADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1ncccn1 ZINC000934381827 631814355 /nfs/dbraw/zinc/81/43/55/631814355.db2.gz AENPNCYQMZBPAZ-NEPJUHHUSA-N 0 1 247.342 2.229 20 0 BEADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1ncccn1 ZINC000934381830 631814555 /nfs/dbraw/zinc/81/45/55/631814555.db2.gz AENPNCYQMZBPAZ-NWDGAFQWSA-N 0 1 247.342 2.229 20 0 BEADMN Cc1ccncc1CN1CCOC[C@]1(C)C1CC1 ZINC000934476573 631869983 /nfs/dbraw/zinc/86/99/83/631869983.db2.gz BNRWULUUTMCROO-OAHLLOKOSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@@]1(C2CC2)COCCN1CCc1cccnc1 ZINC000934480869 631874454 /nfs/dbraw/zinc/87/44/54/631874454.db2.gz ZNLLQCQQEROAEZ-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN CCCCCCn1cc([C@@H](C)NC)nn1 ZINC000309111147 631886252 /nfs/dbraw/zinc/88/62/52/631886252.db2.gz OGOCDEMJIYOEQS-SNVBAGLBSA-N 0 1 210.325 2.139 20 0 BEADMN Cc1noc([C@H](C)NCCCC2CC2)n1 ZINC000309105645 631888741 /nfs/dbraw/zinc/88/87/41/631888741.db2.gz HTVOHQGXWPTYND-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1sccc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000309118918 631889958 /nfs/dbraw/zinc/88/99/58/631889958.db2.gz SEMBMRRMFLBHIJ-QMMMGPOBSA-N 0 1 227.329 2.209 20 0 BEADMN Fc1ccsc1-c1nc([C@H]2CCCN2)no1 ZINC000309228527 631967575 /nfs/dbraw/zinc/96/75/75/631967575.db2.gz HYTUAQNXCHPXTG-SSDOTTSWSA-N 0 1 239.275 2.362 20 0 BEADMN C[C@H](O)c1ncc(CNC2CC(F)(F)C2)s1 ZINC000309361313 632022496 /nfs/dbraw/zinc/02/24/96/632022496.db2.gz AMAVKSHJDJQTBD-LURJTMIESA-N 0 1 248.298 2.084 20 0 BEADMN Cc1noc([C@@H]2CC[C@H]3CCCC[C@H]3N2)n1 ZINC000250907769 635701408 /nfs/dbraw/zinc/70/14/08/635701408.db2.gz UJCHHMAEDFENQX-MXWKQRLJSA-N 0 1 221.304 2.361 20 0 BEADMN CCC[C@@H](C)NCc1ncc(C(=O)OC)s1 ZINC000894147046 635719754 /nfs/dbraw/zinc/71/97/54/635719754.db2.gz DYNQTPQWRWHZSU-MRVPVSSYSA-N 0 1 242.344 2.208 20 0 BEADMN C[C@H](CCO)NCc1coc(-c2ccccc2)n1 ZINC000156275490 632130797 /nfs/dbraw/zinc/13/07/97/632130797.db2.gz OIELBAVULCTAND-LLVKDONJSA-N 0 1 246.310 2.202 20 0 BEADMN CCCCOC(=O)CCN(C)Cc1ccoc1 ZINC000052442695 632408042 /nfs/dbraw/zinc/40/80/42/632408042.db2.gz QVPINIQSMKLJMW-UHFFFAOYSA-N 0 1 239.315 2.445 20 0 BEADMN CC/C=C\CN[C@H](C)c1cc(OC)no1 ZINC000926516945 632420217 /nfs/dbraw/zinc/42/02/17/632420217.db2.gz QWKXOHSBGSAIDI-SSJHQANKSA-N 0 1 210.277 2.300 20 0 BEADMN CC/C=C/CN[C@H](C)c1cc(OC)no1 ZINC000926516947 632421383 /nfs/dbraw/zinc/42/13/83/632421383.db2.gz QWKXOHSBGSAIDI-VUHVRTRXSA-N 0 1 210.277 2.300 20 0 BEADMN Fc1ncccc1CNC[C@@H]1CCC=CO1 ZINC000309599600 632557676 /nfs/dbraw/zinc/55/76/76/632557676.db2.gz VZRQQVIKWDEUNX-NSHDSACASA-N 0 1 222.263 2.003 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncco1)[C@H](O)C(C)C ZINC000926589434 632598557 /nfs/dbraw/zinc/59/85/57/632598557.db2.gz MPWOGDCMFZEWFL-GARJFASQSA-N 0 1 226.320 2.121 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncco1)[C@@H](O)C(C)C ZINC000926589433 632598636 /nfs/dbraw/zinc/59/86/36/632598636.db2.gz MPWOGDCMFZEWFL-DCAQKATOSA-N 0 1 226.320 2.121 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2ccon2)CS1 ZINC000308982286 632605669 /nfs/dbraw/zinc/60/56/69/632605669.db2.gz IPRCMBGWBBQBNF-MNOVXSKESA-N 0 1 226.345 2.294 20 0 BEADMN CC(C)n1cc([C@@H](C)N[C@H]2CC23CC3)nn1 ZINC000926614152 632685008 /nfs/dbraw/zinc/68/50/08/632685008.db2.gz HRZYQONSWTYXIZ-KOLCDFICSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@@H](NCCC1=CCCCC1)c1cnn(C)n1 ZINC000924528692 632702339 /nfs/dbraw/zinc/70/23/39/632702339.db2.gz PHCQXMAZDNGXIA-LLVKDONJSA-N 0 1 234.347 2.356 20 0 BEADMN C[C@@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)C=CCC1 ZINC000935380136 632726537 /nfs/dbraw/zinc/72/65/37/632726537.db2.gz HKIQXPRPGRQFPG-CYBMUJFWSA-N 0 1 246.314 2.367 20 0 BEADMN C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)C=CCC1 ZINC000935380136 632726538 /nfs/dbraw/zinc/72/65/38/632726538.db2.gz HKIQXPRPGRQFPG-CYBMUJFWSA-N 0 1 246.314 2.367 20 0 BEADMN CCc1cccc(CN[C@@H](C)c2cnnn2C)c1 ZINC000926657688 632785285 /nfs/dbraw/zinc/78/52/85/632785285.db2.gz ZOYUHJOPDKHYAR-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN CC1(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)CCCC1 ZINC000309259255 632851375 /nfs/dbraw/zinc/85/13/75/632851375.db2.gz BKTZOOUNERXMBM-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCCCN(C)CN1C(=O)C(C)(C)C1(C)C ZINC000177680907 632860024 /nfs/dbraw/zinc/86/00/24/632860024.db2.gz TWBNEQLHTPMBRF-UHFFFAOYSA-N 0 1 226.364 2.323 20 0 BEADMN C[C@H](NC[C@@H]1CCOC1(C)C)c1ncco1 ZINC000926726077 632885630 /nfs/dbraw/zinc/88/56/30/632885630.db2.gz GZHMFKABIOTTQX-UWVGGRQHSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1cnn(C)c1 ZINC000310699490 632890093 /nfs/dbraw/zinc/89/00/93/632890093.db2.gz XPWXIWIRWQPATB-ZWNOBZJWSA-N 0 1 242.326 2.153 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)CN1CCCC1 ZINC000066405627 632902347 /nfs/dbraw/zinc/90/23/47/632902347.db2.gz WNQVVBBZUHPALW-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccnc(Cl)c1 ZINC000309330227 632944460 /nfs/dbraw/zinc/94/44/60/632944460.db2.gz IWFCNMAIFXPLBY-SNVBAGLBSA-N 0 1 240.734 2.080 20 0 BEADMN CCOc1ccc(CN[C@@H](C)Cn2cccn2)o1 ZINC000892554068 632965931 /nfs/dbraw/zinc/96/59/31/632965931.db2.gz XBMMANYVDJJKOU-NSHDSACASA-N 0 1 249.314 2.053 20 0 BEADMN CCOc1ccc(CN[C@H](C)Cn2cccn2)o1 ZINC000892554067 632966915 /nfs/dbraw/zinc/96/69/15/632966915.db2.gz XBMMANYVDJJKOU-LLVKDONJSA-N 0 1 249.314 2.053 20 0 BEADMN CCOc1cccc(CN[C@@H]2C=CCC2)n1 ZINC000850359027 632971328 /nfs/dbraw/zinc/97/13/28/632971328.db2.gz TZAUOBGERFDEQW-LLVKDONJSA-N 0 1 218.300 2.289 20 0 BEADMN CCC(F)(F)CNC1[C@H](C)COC[C@H]1C ZINC000926760290 632995278 /nfs/dbraw/zinc/99/52/78/632995278.db2.gz ZANVDDSJMPSDPV-RKDXNWHRSA-N 0 1 221.291 2.292 20 0 BEADMN CC(C)(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-] ZINC000126607021 635869507 /nfs/dbraw/zinc/86/95/07/635869507.db2.gz ITPWAAFZPFVPRX-PHIMTYICSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2ccoc2)o1 ZINC000164394843 633077460 /nfs/dbraw/zinc/07/74/60/633077460.db2.gz GENHIPQWJJDUHT-NSHDSACASA-N 0 1 221.256 2.004 20 0 BEADMN C[C@H](NCC(C)(C)C(C)(F)F)c1cnn(C)n1 ZINC000926798424 633082513 /nfs/dbraw/zinc/08/25/13/633082513.db2.gz ADFLQASITNBPJQ-QMMMGPOBSA-N 0 1 246.305 2.147 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc[nH]1 ZINC000309451556 633083884 /nfs/dbraw/zinc/08/38/84/633083884.db2.gz MRGUHDOQCDNEKP-VHSXEESVSA-N 0 1 218.304 2.160 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC1CCCCCCC1 ZINC000166786529 633120695 /nfs/dbraw/zinc/12/06/95/633120695.db2.gz VLZZLJJQOPRUKT-CYBMUJFWSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccoc1 ZINC000167838273 633134704 /nfs/dbraw/zinc/13/47/04/633134704.db2.gz TWEKGPUVEMIYJX-HWPZZCPQSA-N 0 1 243.372 2.477 20 0 BEADMN CC(C)=CCN[C@@H]1CCCc2c[nH]nc21 ZINC000277112277 633162755 /nfs/dbraw/zinc/16/27/55/633162755.db2.gz XRVPAUFGKJNTCI-LLVKDONJSA-N 0 1 205.305 2.343 20 0 BEADMN Cn1cnc(CNC(C)(C)CC(F)(F)F)c1 ZINC000309484567 633163460 /nfs/dbraw/zinc/16/34/60/633163460.db2.gz FSTQANLTFNPBQA-UHFFFAOYSA-N 0 1 235.253 2.241 20 0 BEADMN CCc1nnc(SC/C=C\Cl)[nH]1 ZINC000308157507 633187579 /nfs/dbraw/zinc/18/75/79/633187579.db2.gz PSJRNFVGUXVSFN-ARJAWSKDSA-N 0 1 203.698 2.212 20 0 BEADMN CCc1n[nH]c(SC/C=C\Cl)n1 ZINC000308157507 633187585 /nfs/dbraw/zinc/18/75/85/633187585.db2.gz PSJRNFVGUXVSFN-ARJAWSKDSA-N 0 1 203.698 2.212 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928432344 635920457 /nfs/dbraw/zinc/92/04/57/635920457.db2.gz JGWXBUHZGFRXHX-JHJVBQTASA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@@](C)(O)CN1CCC=C(Br)C1 ZINC000306552734 635970467 /nfs/dbraw/zinc/97/04/67/635970467.db2.gz DQFGYZIRIOKJLB-SNVBAGLBSA-N 0 1 248.164 2.132 20 0 BEADMN CC1(C)CCN(CN2CCSC2=S)CC1 ZINC000726964976 636024297 /nfs/dbraw/zinc/02/42/97/636024297.db2.gz MLDZYSAUXPCMNU-UHFFFAOYSA-N 0 1 244.429 2.400 20 0 BEADMN CSCC[C@@H](C)N[C@@H](C)c1nonc1C ZINC000925098148 636005073 /nfs/dbraw/zinc/00/50/73/636005073.db2.gz UUFVIEMVMTUZSU-SFYZADRCSA-N 0 1 229.349 2.170 20 0 BEADMN C[C@@H]1CN(C(=O)OC2CCCC2)C[C@H](C)N1C ZINC000310150969 636005933 /nfs/dbraw/zinc/00/59/33/636005933.db2.gz HGKYJHHXNLHOCG-PHIMTYICSA-N 0 1 240.347 2.090 20 0 BEADMN CC(Cl)(Cl)c1nc([C@H]2CCCN2)no1 ZINC000307370972 635987793 /nfs/dbraw/zinc/98/77/93/635987793.db2.gz SSSMLVYQQDVQDM-RXMQYKEDSA-N 0 1 236.102 2.144 20 0 BEADMN COc1cc([C@H](C)N[C@H](C)CSC)on1 ZINC000925095073 636000901 /nfs/dbraw/zinc/00/09/01/636000901.db2.gz IMAMUHROSIJXQE-SFYZADRCSA-N 0 1 230.333 2.085 20 0 BEADMN CCCCC[C@@H](CC)C(=O)NC[C@@H]1CCN1C ZINC000928554673 636090874 /nfs/dbraw/zinc/09/08/74/636090874.db2.gz JZLNUDNOXHRBCQ-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@H](CC)C(=O)NC[C@@H]1CCN1C ZINC000928554675 636091477 /nfs/dbraw/zinc/09/14/77/636091477.db2.gz JZLNUDNOXHRBCQ-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](CCO)N[C@H]1CCCc2oc(C)nc21 ZINC000925118752 636100124 /nfs/dbraw/zinc/10/01/24/636100124.db2.gz BGOYSLIQRDKYJI-QWRGUYRKSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)NC[C@H]1CCN1C ZINC000928563287 636111758 /nfs/dbraw/zinc/11/17/58/636111758.db2.gz PCNBGISPKMLMCV-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN CCOc1ccc(CN(C[C@@H](C)O)C2CC2)o1 ZINC000895228646 636122975 /nfs/dbraw/zinc/12/29/75/636122975.db2.gz CODIVRYQEPNXHP-SNVBAGLBSA-N 0 1 239.315 2.024 20 0 BEADMN CCC[C@H](CNCc1ocnc1C)OCC ZINC000895389674 636141223 /nfs/dbraw/zinc/14/12/23/636141223.db2.gz PCTWDQIYNHUSFQ-LLVKDONJSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1nonc1[C@H](C)NCC1(C(C)C)CC1 ZINC000925510630 633849787 /nfs/dbraw/zinc/84/97/87/633849787.db2.gz YPESQSRBZADFIW-VIFPVBQESA-N 0 1 223.320 2.465 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)C(F)(F)F ZINC000309427539 633916573 /nfs/dbraw/zinc/91/65/73/633916573.db2.gz AZRKQVORNLDRPA-HTRCEHHLSA-N 0 1 233.237 2.328 20 0 BEADMN CS[C@H](C)Cc1nc([C@@H](N)C(C)C)no1 ZINC000309476205 633925857 /nfs/dbraw/zinc/92/58/57/633925857.db2.gz RYIPRBKJEPVTPY-APPZFPTMSA-N 0 1 229.349 2.019 20 0 BEADMN CCOCCN[C@H](C)c1c(CC)noc1C ZINC000309985622 634036136 /nfs/dbraw/zinc/03/61/36/634036136.db2.gz YDHRHSPNMGLHGT-SECBINFHSA-N 0 1 226.320 2.233 20 0 BEADMN FC[C@@H]1CCN(Cc2ccnn2CC2CC2)C1 ZINC000895568291 636160611 /nfs/dbraw/zinc/16/06/11/636160611.db2.gz NXAOCDVEYVDRJA-LBPRGKRZSA-N 0 1 237.322 2.085 20 0 BEADMN CC[C@H]1CN(CCOC2CC2)C[C@H](CC)O1 ZINC000930750124 634087585 /nfs/dbraw/zinc/08/75/85/634087585.db2.gz SLMVEBSZPVDSTJ-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H]1CCN(Cc2[nH]nc3c2COCC3)[C@H](C)C1 ZINC000930760053 634093177 /nfs/dbraw/zinc/09/31/77/634093177.db2.gz FLMKVNBDRQFHIY-GHMZBOCLSA-N 0 1 249.358 2.103 20 0 BEADMN COC/C(C)=C/CN1C[C@@H](C)OC2(CCC2)C1 ZINC000930828474 634128722 /nfs/dbraw/zinc/12/87/22/634128722.db2.gz YOBGQVFKLJAMBF-YQJFHSMKSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189349929 634179347 /nfs/dbraw/zinc/17/93/47/634179347.db2.gz ADZVBLQRKXEIJV-GFCCVEGCSA-N 0 1 238.306 2.079 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000189437533 634182236 /nfs/dbraw/zinc/18/22/36/634182236.db2.gz SASHOIJHIYRKGI-GFCCVEGCSA-N 0 1 238.306 2.079 20 0 BEADMN CC1CC(Nc2nc(Cl)nc3[nH]cnc32)C1 ZINC000123707280 634255026 /nfs/dbraw/zinc/25/50/26/634255026.db2.gz UOYFGJONQNPOJR-UHFFFAOYSA-N 0 1 237.694 2.217 20 0 BEADMN CC(C)N(Cn1cc(Cl)cn1)C1CC1 ZINC000194546057 634322723 /nfs/dbraw/zinc/32/27/23/634322723.db2.gz QXBWGSHZGLGFPT-UHFFFAOYSA-N 0 1 213.712 2.367 20 0 BEADMN CC[C@@H]1COCCN1CC[C@H](O)c1ccccc1 ZINC000053932724 635191981 /nfs/dbraw/zinc/19/19/81/635191981.db2.gz GSHXPHPGGDFCSR-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H](NCc1csc(C(C)(C)C)n1)[C@H](C)O ZINC000336777216 635287431 /nfs/dbraw/zinc/28/74/31/635287431.db2.gz HSBSNHSZYMSKEO-BDAKNGLRSA-N 0 1 242.388 2.300 20 0 BEADMN CC[C@@H](CO)NCc1ccc(Cl)nc1Cl ZINC000931775288 635336114 /nfs/dbraw/zinc/33/61/14/635336114.db2.gz VJOJXQAGPFVTJG-QMMMGPOBSA-N 0 1 249.141 2.249 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(F)cc(F)c2)no1 ZINC000054053296 635339497 /nfs/dbraw/zinc/33/94/97/635339497.db2.gz STEDDEAXGFOOIN-ZCFIWIBFSA-N 0 1 239.225 2.295 20 0 BEADMN Cc1ccoc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000229551171 635474652 /nfs/dbraw/zinc/47/46/52/635474652.db2.gz ZRYRZRLPRSBKIF-UHFFFAOYSA-N 0 1 237.299 2.417 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1cc2ccccc2s1 ZINC000925862546 635560340 /nfs/dbraw/zinc/56/03/40/635560340.db2.gz UDMOUJOUZQMCKH-GXSJLCMTSA-N 0 1 248.351 2.455 20 0 BEADMN Cc1nc(CNC2CC2)sc1Br ZINC000083883425 635829340 /nfs/dbraw/zinc/82/93/40/635829340.db2.gz PXZXKFGZPCQIKH-UHFFFAOYSA-N 0 1 247.161 2.466 20 0 BEADMN Cc1ccc(C)c(C(=O)N2CCNC(C)(C)C2)c1 ZINC000148078779 636239138 /nfs/dbraw/zinc/23/91/38/636239138.db2.gz YGWVIAYEFUTOTP-UHFFFAOYSA-N 0 1 246.354 2.127 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CCCN1C ZINC000909566021 636254236 /nfs/dbraw/zinc/25/42/36/636254236.db2.gz GKSDOMLNPQJOSK-SGMGOOAPSA-N 0 1 238.375 2.166 20 0 BEADMN CCCCN(C)CN1CCSC1=S ZINC000124437494 636267013 /nfs/dbraw/zinc/26/70/13/636267013.db2.gz VKYZEKGJBTWMSV-UHFFFAOYSA-N 0 1 218.391 2.010 20 0 BEADMN CC[C@@H](C[C@](C)(O)CC)NCc1ccon1 ZINC000925212444 636392806 /nfs/dbraw/zinc/39/28/06/636392806.db2.gz QNSCZGKAOWAWMB-CMPLNLGQSA-N 0 1 226.320 2.094 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2CO)cc(Cl)n1 ZINC000320964181 636554304 /nfs/dbraw/zinc/55/43/04/636554304.db2.gz WJRQPSMNLXZOLT-LLVKDONJSA-N 0 1 240.734 2.000 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)cc(Cl)n1 ZINC000321336926 636636862 /nfs/dbraw/zinc/63/68/62/636636862.db2.gz QJYRRFUBQJBUHW-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN CC[C@@H](C)NC(=O)c1cc(F)cc(F)c1O ZINC000929103230 636800803 /nfs/dbraw/zinc/80/08/03/636800803.db2.gz CNLYFTBXWJNCIJ-ZCFIWIBFSA-N 0 1 229.226 2.199 20 0 BEADMN CC(C)C(N)=NOCc1nnc(C(C)C)s1 ZINC000842040694 636821505 /nfs/dbraw/zinc/82/15/05/636821505.db2.gz YFRBAAOUNZTBLG-UHFFFAOYSA-N 0 1 242.348 2.316 20 0 BEADMN CC1=C(C(=O)Nc2cccnc2)CCN1C(C)C ZINC000929154331 636858457 /nfs/dbraw/zinc/85/84/57/636858457.db2.gz LDEVOFOAXNWWFN-UHFFFAOYSA-N 0 1 245.326 2.408 20 0 BEADMN CC/C=C/CN[C@H]1CCCn2ccnc21 ZINC000655773104 636873424 /nfs/dbraw/zinc/87/34/24/636873424.db2.gz QCCLVJANVVMGNH-UFFNRZRYSA-N 0 1 205.305 2.274 20 0 BEADMN CN(CCOC1CC1)Cc1ccsc1 ZINC000929179706 636907667 /nfs/dbraw/zinc/90/76/67/636907667.db2.gz KFEDCMPVIJCHFX-UHFFFAOYSA-N 0 1 211.330 2.359 20 0 BEADMN CC(C)[C@H](C)OC(=O)[C@H]1CCCN1C(C)C ZINC000923890932 637004385 /nfs/dbraw/zinc/00/43/85/637004385.db2.gz IIHFUCBCPHARLG-NWDGAFQWSA-N 0 1 227.348 2.447 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OCCC1CC1 ZINC000923891365 637005295 /nfs/dbraw/zinc/00/52/95/637005295.db2.gz KTQZAQAEGAFYNH-GFCCVEGCSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1C[C@H](O)c1ccccc1 ZINC000042240464 637092791 /nfs/dbraw/zinc/09/27/91/637092791.db2.gz PAVCWAMSFVAKSU-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1ccccc1-n1cc([C@@H]2CCCCN2)nn1 ZINC000899705969 637125761 /nfs/dbraw/zinc/12/57/61/637125761.db2.gz LXUFVLMKVJUGNU-LBPRGKRZSA-N 0 1 242.326 2.390 20 0 BEADMN c1c([C@H]2CCCCN2)nnn1CC1CCCC1 ZINC000899706843 637129275 /nfs/dbraw/zinc/12/92/75/637129275.db2.gz VVWJHYWRTMZJKD-GFCCVEGCSA-N 0 1 234.347 2.283 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)Cc1c[nH]cn1 ZINC000900023934 637168345 /nfs/dbraw/zinc/16/83/45/637168345.db2.gz AKJDJEVDQIAWQM-NSHDSACASA-N 0 1 243.310 2.172 20 0 BEADMN CC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000042416976 637240129 /nfs/dbraw/zinc/24/01/29/637240129.db2.gz LDKZYRMWAYXRDP-VIFPVBQESA-N 0 1 238.287 2.137 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2cc[nH]c21 ZINC000901426777 637251817 /nfs/dbraw/zinc/25/18/17/637251817.db2.gz QKMXLSAOUZIOBA-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000901487756 637255585 /nfs/dbraw/zinc/25/55/85/637255585.db2.gz AQBWVUYBTYVYHD-GFCCVEGCSA-N 0 1 244.294 2.074 20 0 BEADMN Cc1cc(C[NH2+]Cc2ccoc2C)oc1C(=O)[O-] ZINC000901937828 637275942 /nfs/dbraw/zinc/27/59/42/637275942.db2.gz FYKDMCHSCXCEOZ-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN S=c1ncccn1CN1CC[C@@H]2CCC[C@@H]21 ZINC000902651561 637322392 /nfs/dbraw/zinc/32/23/92/637322392.db2.gz FLCLMVKYQLMGEA-QWRGUYRKSA-N 0 1 235.356 2.444 20 0 BEADMN Cc1csc([C@@H](C)NCC[C@H](O)C2CC2)n1 ZINC000903412540 637359358 /nfs/dbraw/zinc/35/93/58/637359358.db2.gz UNYNCKXDAIVYTM-KOLCDFICSA-N 0 1 240.372 2.263 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)CC ZINC000903599042 637372865 /nfs/dbraw/zinc/37/28/65/637372865.db2.gz ZEFHYTKDFJNWCV-HBNTYKKESA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903599039 637374202 /nfs/dbraw/zinc/37/42/02/637374202.db2.gz ZEFHYTKDFJNWCV-DCAQKATOSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@]2(C)C=CCC2)n1 ZINC000904500341 637426844 /nfs/dbraw/zinc/42/68/44/637426844.db2.gz KYDHFDIVXAMHQD-CABZTGNLSA-N 0 1 221.304 2.333 20 0 BEADMN CN(C)Cc1cc(-c2nccn2C)ccc1F ZINC000904806638 637493523 /nfs/dbraw/zinc/49/35/23/637493523.db2.gz OENJSYCUSDBRTN-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN c1cc(-c2cccc([C@@H]3COCCN3)c2)c[nH]1 ZINC000904844087 637502913 /nfs/dbraw/zinc/50/29/13/637502913.db2.gz QFZDLNIPWWRWRB-AWEZNQCLSA-N 0 1 228.295 2.343 20 0 BEADMN CCOc1ccc(-c2cnc(CNC)nc2)cc1 ZINC000904888348 637511473 /nfs/dbraw/zinc/51/14/73/637511473.db2.gz VGKOOHCHKOCBHL-UHFFFAOYSA-N 0 1 243.310 2.262 20 0 BEADMN CC[C@H](c1ccccc1)[S@@](=O)Cc1c[nH]nn1 ZINC000905165593 637678138 /nfs/dbraw/zinc/67/81/38/637678138.db2.gz JGRIWZUGOUZBSB-PXAZEXFGSA-N 0 1 249.339 2.205 20 0 BEADMN CC[C@@H](c1ccccc1)[S@](=O)Cc1c[nH]nn1 ZINC000905165597 637678250 /nfs/dbraw/zinc/67/82/50/637678250.db2.gz JGRIWZUGOUZBSB-YVEFUNNKSA-N 0 1 249.339 2.205 20 0 BEADMN CCc1cc(-c2nc(C3(N)CCCC3)no2)no1 ZINC000905304762 637762313 /nfs/dbraw/zinc/76/23/13/637762313.db2.gz HHCKELVPYDEUQH-UHFFFAOYSA-N 0 1 248.286 2.015 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccnn1C(C)C ZINC000905386044 637785974 /nfs/dbraw/zinc/78/59/74/637785974.db2.gz ZDVHJILSOXAQIC-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN O[C@H](CNCc1nsc2ccccc21)C1CC1 ZINC000905458021 637822207 /nfs/dbraw/zinc/82/22/07/637822207.db2.gz MSRNPDNDHAERKQ-GFCCVEGCSA-N 0 1 248.351 2.157 20 0 BEADMN O[C@H](CNC/C=C\Cl)c1c(F)cccc1F ZINC000905709036 637892698 /nfs/dbraw/zinc/89/26/98/637892698.db2.gz VHIUSTPTYMSCAY-XJIUSYNZSA-N 0 1 247.672 2.340 20 0 BEADMN CC(C)NCc1cn(CC2CC3(CCC3)C2)nn1 ZINC000905816905 637943724 /nfs/dbraw/zinc/94/37/24/637943724.db2.gz UZMTWDRMEIJUDO-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN Cc1[nH]nc(C(=O)N(C)C(C)C)c1C(F)(F)F ZINC000905938604 637982098 /nfs/dbraw/zinc/98/20/98/637982098.db2.gz RYGBEKLQOORCNU-UHFFFAOYSA-N 0 1 249.236 2.217 20 0 BEADMN C[C@H]1CCN1C[C@H](O)c1cccc(Cl)c1 ZINC000905973451 637987799 /nfs/dbraw/zinc/98/77/99/637987799.db2.gz JEIIVOLPTYKJRW-CABZTGNLSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H]1CCN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000905974661 637990420 /nfs/dbraw/zinc/99/04/20/637990420.db2.gz LUTJRNFVAYTQSM-PELKAZGASA-N 0 1 227.254 2.092 20 0 BEADMN O=C([O-])CC1CC(Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000906152800 638077498 /nfs/dbraw/zinc/07/74/98/638077498.db2.gz WOMIDJCENVWUSQ-UHFFFAOYSA-N 0 1 245.282 2.228 20 0 BEADMN COc1ccc(CSC)cc1-c1nnc[nH]1 ZINC000906195731 638114181 /nfs/dbraw/zinc/11/41/81/638114181.db2.gz OZFPWILWCYEDGQ-UHFFFAOYSA-N 0 1 235.312 2.343 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1cn(C2CC2)nn1 ZINC000906253100 638117222 /nfs/dbraw/zinc/11/72/22/638117222.db2.gz LJLSCEBPPOUVLZ-SNVBAGLBSA-N 0 1 222.336 2.089 20 0 BEADMN CC[C@H](C)CN(C)Cc1cn(C2CC2)nn1 ZINC000906270396 638123709 /nfs/dbraw/zinc/12/37/09/638123709.db2.gz VRPXTJKOCJDBQJ-JTQLQIEISA-N 0 1 222.336 2.091 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(C3CC3)nn2)[C@@H]1C ZINC000906269361 638131763 /nfs/dbraw/zinc/13/17/63/638131763.db2.gz MIFRJLXLZDXBAN-GHMZBOCLSA-N 0 1 234.347 2.233 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cn(C2CC2)nn1 ZINC000906296539 638136707 /nfs/dbraw/zinc/13/67/07/638136707.db2.gz MPQPAKCYMUAACH-MFKMUULPSA-N 0 1 234.347 2.233 20 0 BEADMN c1c(CN2C[C@@H]3CC=CC[C@@H]3C2)nnn1C1CC1 ZINC000906322998 638144498 /nfs/dbraw/zinc/14/44/98/638144498.db2.gz NIFZPTJUTMCLRU-TXEJJXNPSA-N 0 1 244.342 2.011 20 0 BEADMN CCCCNc1ccc(N2CCOCC2)nc1C ZINC000906528047 638193022 /nfs/dbraw/zinc/19/30/22/638193022.db2.gz SYISDVXWXIMVOI-UHFFFAOYSA-N 0 1 249.358 2.439 20 0 BEADMN CCC1(CNC(=O)Cc2cnc[nH]2)CCCCC1 ZINC000907391824 638370616 /nfs/dbraw/zinc/37/06/16/638370616.db2.gz QFPGIJZPDMEDAJ-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CC1(C)CN(C(=O)Cc2c[nH]cn2)CC(C)(C)C1 ZINC000907426084 638380048 /nfs/dbraw/zinc/38/00/48/638380048.db2.gz DZPZUUZRKNLGSH-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN CC1(C)CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000907629130 638424599 /nfs/dbraw/zinc/42/45/99/638424599.db2.gz SGIIPCUTKDCDBA-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1C ZINC000907924208 638514683 /nfs/dbraw/zinc/51/46/83/638514683.db2.gz IFQZJLKBUGDAFS-UTUOFQBUSA-N 0 1 249.358 2.141 20 0 BEADMN CC(=C(F)C(=O)N[C@H](C)c1ncc[nH]1)C1CC1 ZINC000908340475 638658772 /nfs/dbraw/zinc/65/87/72/638658772.db2.gz SLAGWYYHOOJUPZ-RYGSOJJJSA-N 0 1 237.278 2.240 20 0 BEADMN CC[C@@H](C)CONC(=O)c1c(C)n[nH]c1Cl ZINC000908350746 638662449 /nfs/dbraw/zinc/66/24/49/638662449.db2.gz AKPRFFULXQEFCA-ZCFIWIBFSA-N 0 1 245.710 2.079 20 0 BEADMN CC(C)(C)C1CC(NC(=O)c2[nH]ncc2F)C1 ZINC000908422242 638703611 /nfs/dbraw/zinc/70/36/11/638703611.db2.gz MRXAUHMFVXKPOC-UHFFFAOYSA-N 0 1 239.294 2.103 20 0 BEADMN CCC[N@@H+](CCC(C)(C)SC)CC(=O)[O-] ZINC000385860982 711461774 /nfs/dbraw/zinc/46/17/74/711461774.db2.gz RZYYXYYCIQPCHO-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)/C=C(/C)Cl ZINC000909208805 639173368 /nfs/dbraw/zinc/17/33/68/639173368.db2.gz RSHYULNSTNEYLS-IEHMKBBKSA-N 0 1 244.766 2.072 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]ncc1F)C1CCCC1 ZINC000909281550 639196382 /nfs/dbraw/zinc/19/63/82/639196382.db2.gz YMVOZOMVMSHKJU-SNVBAGLBSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1ccc(N(C)C(=O)CN2CCCC2)cc1 ZINC000150082302 639298397 /nfs/dbraw/zinc/29/83/97/639298397.db2.gz NRXQMUUBARVNQQ-UHFFFAOYSA-N 0 1 232.327 2.054 20 0 BEADMN Cc1[nH+]c(N2CC3CC2(C)C3)ccc1C(=O)[O-] ZINC000910322866 639424098 /nfs/dbraw/zinc/42/40/98/639424098.db2.gz HBXGVKLWTJVHEC-UHFFFAOYSA-N 0 1 232.283 2.077 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC000910384471 639434194 /nfs/dbraw/zinc/43/41/94/639434194.db2.gz DMANZQBCLYBKAP-WHOHXGKFSA-N 0 1 246.310 2.301 20 0 BEADMN C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)C(=O)[O-] ZINC000910430335 639447212 /nfs/dbraw/zinc/44/72/12/639447212.db2.gz HYKWKDXPHDXAKG-IUCAKERBSA-N 0 1 247.298 2.094 20 0 BEADMN Cc1cccc(N[C@@H](C)CCC(=O)[O-])[nH+]1 ZINC000910437761 639461292 /nfs/dbraw/zinc/46/12/92/639461292.db2.gz UKRGCWDCMYWTHH-VIFPVBQESA-N 0 1 208.261 2.055 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]ncc1F)[C@@H]1CC1(C)C ZINC000910925310 639541669 /nfs/dbraw/zinc/54/16/69/639541669.db2.gz IMKAIBVNSNGOHW-IONNQARKSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@H](NC(=O)c1[nH]ncc1F)[C@@H]1CC1(C)C ZINC000910925309 639541788 /nfs/dbraw/zinc/54/17/88/639541788.db2.gz IMKAIBVNSNGOHW-CBAPKCEASA-N 0 1 239.294 2.103 20 0 BEADMN COC(=O)[C@]1(C)CCC[N@H+]1CCCC(C)(F)F ZINC000930260723 639665964 /nfs/dbraw/zinc/66/59/64/639665964.db2.gz TWXRLHYAKUUBTO-NSHDSACASA-N 0 1 249.301 2.449 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CCCC(C)(F)F ZINC000930260723 639665969 /nfs/dbraw/zinc/66/59/69/639665969.db2.gz TWXRLHYAKUUBTO-NSHDSACASA-N 0 1 249.301 2.449 20 0 BEADMN CC[C@H](CO)N1CCc2cc(Cl)ccc2C1 ZINC000930256136 639668119 /nfs/dbraw/zinc/66/81/19/639668119.db2.gz JTHIABKVHMWUKD-CYBMUJFWSA-N 0 1 239.746 2.469 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000930271452 639674728 /nfs/dbraw/zinc/67/47/28/639674728.db2.gz XXYQDIIAOXYEKL-GMEADYRZSA-N 0 1 239.359 2.078 20 0 BEADMN COC/C(C)=C/CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000930271455 639674810 /nfs/dbraw/zinc/67/48/10/639674810.db2.gz XXYQDIIAOXYEKL-LIKCUEIDSA-N 0 1 239.359 2.078 20 0 BEADMN Cc1nnsc1[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000930273210 639675955 /nfs/dbraw/zinc/67/59/55/639675955.db2.gz OBEZWJGOUNEDGY-BKPPORCPSA-N 0 1 211.334 2.390 20 0 BEADMN CSCCC[N@@H+](C)Cc1[nH]c(C)nc1C ZINC000930318159 639700124 /nfs/dbraw/zinc/70/01/24/639700124.db2.gz JCGYFLLXTRPDFC-UHFFFAOYSA-N 0 1 227.377 2.211 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)C[C@H]2C)o1 ZINC000930323693 639706347 /nfs/dbraw/zinc/70/63/47/639706347.db2.gz PTQKPILIRVFYAP-MNOVXSKESA-N 0 1 238.331 2.236 20 0 BEADMN CC[C@H](CO)N1CC[C@](F)(c2ccccc2)C1 ZINC000930351147 639723229 /nfs/dbraw/zinc/72/32/29/639723229.db2.gz NGRWMHRAMNOGNP-ZIAGYGMSSA-N 0 1 237.318 2.328 20 0 BEADMN CC[C@H](CO)N1CC[C@@](F)(c2ccccc2)C1 ZINC000930351145 639725434 /nfs/dbraw/zinc/72/54/34/639725434.db2.gz NGRWMHRAMNOGNP-KGLIPLIRSA-N 0 1 237.318 2.328 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1c(F)cncc1F ZINC000930455213 639758592 /nfs/dbraw/zinc/75/85/92/639758592.db2.gz IKQZEFJTSLMJHC-CPCISQLKSA-N 0 1 244.310 2.201 20 0 BEADMN CC1CC(CN2Cc3ccncc3C2)C1 ZINC000930462295 639765351 /nfs/dbraw/zinc/76/53/51/639765351.db2.gz IEZJUZRIEQPCCG-UHFFFAOYSA-N 0 1 202.301 2.443 20 0 BEADMN CCN(C[C@@H](C)OC)[C@@H](C)c1snnc1C ZINC000930541509 639807148 /nfs/dbraw/zinc/80/71/48/639807148.db2.gz VIVNYCZMAUJKET-SCZZXKLOSA-N 0 1 243.376 2.264 20 0 BEADMN Cc1ccoc1CN(C)CCOC1CC1 ZINC000930553303 639810353 /nfs/dbraw/zinc/81/03/53/639810353.db2.gz BUROWIJQUBYCSW-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN CN(CCCC(C)(F)F)[C@H]1CC(C)(C)OC1=O ZINC000930563602 639811463 /nfs/dbraw/zinc/81/14/63/639811463.db2.gz YCRTYFBCGIZEID-VIFPVBQESA-N 0 1 249.301 2.448 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)[C@H]1CC(C)(C)OC1=O ZINC000930563117 639811542 /nfs/dbraw/zinc/81/15/42/639811542.db2.gz SGICYDJEXIBQRJ-VWYCJHECSA-N 0 1 225.332 2.058 20 0 BEADMN COC/C(C)=C\CN1CCC[C@@](C)(F)C1 ZINC000930596572 639816179 /nfs/dbraw/zinc/81/61/79/639816179.db2.gz WEHPPWAEAOTWEX-DKRCXCIFSA-N 0 1 215.312 2.403 20 0 BEADMN CCC1(NCc2nncs2)CCCC1 ZINC000930608970 639818589 /nfs/dbraw/zinc/81/85/89/639818589.db2.gz ZWHAXSNZIUKVJA-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN C[C@@H](c1ncccn1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000930650117 639842668 /nfs/dbraw/zinc/84/26/68/639842668.db2.gz HHDJIFNCJHALGH-NWDGAFQWSA-N 0 1 249.358 2.021 20 0 BEADMN CN(Cc1[nH]nc2c1COCC2)C1CC(C)(C)C1 ZINC000930701774 639868200 /nfs/dbraw/zinc/86/82/00/639868200.db2.gz URCDCQNKKYSXKF-UHFFFAOYSA-N 0 1 249.358 2.103 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912032993 639924246 /nfs/dbraw/zinc/92/42/46/639924246.db2.gz MJJPSRDCAQQZJV-VNKGSWCUSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)[C@H](C)CO1 ZINC000930851308 639947492 /nfs/dbraw/zinc/94/74/92/639947492.db2.gz AYKBJWRJXVIMLG-WXYBXBMJSA-N 0 1 227.348 2.078 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)OCC12CCC2 ZINC000930856743 639951385 /nfs/dbraw/zinc/95/13/85/639951385.db2.gz QVYJVPIKNDJODX-XLVZXTRVSA-N 0 1 239.359 2.223 20 0 BEADMN CO[C@H]1CN(CC2CCC3(CC3)CC2)CCO1 ZINC000931034949 640028360 /nfs/dbraw/zinc/02/83/60/640028360.db2.gz CXJDJIXDBGNNIK-CYBMUJFWSA-N 0 1 239.359 2.262 20 0 BEADMN Cc1nc([C@H](C)SCc2cnc(C)o2)n[nH]1 ZINC000912433503 640059979 /nfs/dbraw/zinc/05/99/79/640059979.db2.gz NHAPXHUNDFLVOZ-LURJTMIESA-N 0 1 238.316 2.404 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CC2CC1(C)C2 ZINC000931080699 640060945 /nfs/dbraw/zinc/06/09/45/640060945.db2.gz UGMLTFRTSZOAKI-FKTRJACZSA-N 0 1 223.345 2.392 20 0 BEADMN CCc1ncc(CN2CC3CC2(C)C3)o1 ZINC000931079392 640062739 /nfs/dbraw/zinc/06/27/39/640062739.db2.gz JURZOGWMCAWVPA-UHFFFAOYSA-N 0 1 206.289 2.221 20 0 BEADMN C[C@H](c1ncccn1)N1CC2CC1(C)C2 ZINC000931079703 640062780 /nfs/dbraw/zinc/06/27/80/640062780.db2.gz AQCADEZOOREXCK-GRZMOONWSA-N 0 1 203.289 2.022 20 0 BEADMN Fc1ccc(CN2CCC[C@H]2c2nnc[nH]2)cc1 ZINC000931134847 640071437 /nfs/dbraw/zinc/07/14/37/640071437.db2.gz XXOZNAUPCDEGCJ-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H]1c1nnc[n-]1 ZINC000931134324 640071576 /nfs/dbraw/zinc/07/15/76/640071576.db2.gz MBPXVNQFDCJLDV-JTQLQIEISA-N 0 1 222.336 2.378 20 0 BEADMN c1nnc([C@@H]2CCCN2[C@H]2C=CCCC2)[nH]1 ZINC000931137240 640071747 /nfs/dbraw/zinc/07/17/47/640071747.db2.gz XSIBBDWCTYGEEE-QWRGUYRKSA-N 0 1 218.304 2.050 20 0 BEADMN COC(=O)/C=C(\C)CN1CCCC(F)(F)CC1 ZINC000931173330 640089177 /nfs/dbraw/zinc/08/91/77/640089177.db2.gz ASXPFILMPWNPNL-CSKARUKUSA-N 0 1 247.285 2.227 20 0 BEADMN Cc1cc(CN(C2CC2)C2CC2)c(C)nn1 ZINC000931179452 640091323 /nfs/dbraw/zinc/09/13/23/640091323.db2.gz SZVRKOVOXFUSQD-UHFFFAOYSA-N 0 1 217.316 2.220 20 0 BEADMN c1coc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000931448798 640210990 /nfs/dbraw/zinc/21/09/90/640210990.db2.gz LRWSYDQIKNGDGT-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN C[C@H]1CN([C@H]2C=CCCC2)Cc2c[nH]nc21 ZINC000931457916 640218053 /nfs/dbraw/zinc/21/80/53/640218053.db2.gz CVFAXGDGEWAWAD-JQWIXIFHSA-N 0 1 217.316 2.438 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccc(N)nc2)s1 ZINC000931467339 640226490 /nfs/dbraw/zinc/22/64/90/640226490.db2.gz IWKMHYDXWNZULO-MRVPVSSYSA-N 0 1 248.355 2.280 20 0 BEADMN CCCC[C@H](C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912907487 640234006 /nfs/dbraw/zinc/23/40/06/640234006.db2.gz HQZVPNNJPLTWCG-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@]1(C(=O)N2CC[C@H](N3CCC3)C2)CC=CCC1 ZINC000912904991 640250537 /nfs/dbraw/zinc/25/05/37/640250537.db2.gz XELQVULTMDSTLD-ZFWWWQNUSA-N 0 1 248.370 2.039 20 0 BEADMN CC[C@@H](CO)N[C@H](CF)c1ccc(F)cc1 ZINC000931559224 640272144 /nfs/dbraw/zinc/27/21/44/640272144.db2.gz WSXWZMIFNHAWHX-NWDGAFQWSA-N 0 1 229.270 2.197 20 0 BEADMN CC(C)OCCN1CCc2nc[nH]c2C12CCC2 ZINC000931680240 640313256 /nfs/dbraw/zinc/31/32/56/640313256.db2.gz RZHUAHQXCFRMAQ-UHFFFAOYSA-N 0 1 249.358 2.072 20 0 BEADMN C[C@H](NC1(C2CC2)CCC1)c1ncccn1 ZINC000931765350 640356854 /nfs/dbraw/zinc/35/68/54/640356854.db2.gz YZFRCFVAUUORSN-JTQLQIEISA-N 0 1 217.316 2.460 20 0 BEADMN CC[C@H](CO)NCc1ncc(Cl)cc1Cl ZINC000931771444 640365145 /nfs/dbraw/zinc/36/51/45/640365145.db2.gz JOMCVDVOXOMKKT-MRVPVSSYSA-N 0 1 249.141 2.249 20 0 BEADMN Cc1ccncc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000931993823 640405503 /nfs/dbraw/zinc/40/55/03/640405503.db2.gz RODGTMLREYLLBO-ZDUSSCGKSA-N 0 1 247.342 2.201 20 0 BEADMN CCCCCCNC(=O)[C@H](N)c1ccccc1 ZINC000036204165 640408744 /nfs/dbraw/zinc/40/87/44/640408744.db2.gz OLTGCQWIQKZNCM-CYBMUJFWSA-N 0 1 234.343 2.383 20 0 BEADMN CC(C)Oc1ncccc1NCc1cnc[nH]1 ZINC000054765195 640409526 /nfs/dbraw/zinc/40/95/26/640409526.db2.gz NSDMUSZIUKQYAS-UHFFFAOYSA-N 0 1 232.287 2.204 20 0 BEADMN Cn1ccc([C@H]2CCCN(C/C=C\Cl)C2)n1 ZINC000932138788 640436922 /nfs/dbraw/zinc/43/69/22/640436922.db2.gz YJOXIJKAKXTHJB-UUSYTGMJSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H](C)C2CC2)n1 ZINC000164055872 640439897 /nfs/dbraw/zinc/43/98/97/640439897.db2.gz BWFMOZKHPIWINJ-VXNVDRBHSA-N 0 1 209.293 2.239 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H](C)C2CC2)n1 ZINC000164055552 640439905 /nfs/dbraw/zinc/43/99/05/640439905.db2.gz BWFMOZKHPIWINJ-CBAPKCEASA-N 0 1 209.293 2.239 20 0 BEADMN COC(=O)CN1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932276625 640468757 /nfs/dbraw/zinc/46/87/57/640468757.db2.gz UXSUENGFBCBNNX-OCCSQVGLSA-N 0 1 247.338 2.428 20 0 BEADMN CC[C@@H](C)Cc1nc([C@@H](N)C(C)C)no1 ZINC000164654777 640495792 /nfs/dbraw/zinc/49/57/92/640495792.db2.gz QGURCHIMPQQULA-SCZZXKLOSA-N 0 1 211.309 2.314 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000932355435 640497273 /nfs/dbraw/zinc/49/72/73/640497273.db2.gz FGQKGSSDLHBSHN-XQQFMLRXSA-N 0 1 247.342 2.085 20 0 BEADMN CSCCCN[C@@H](c1ncccn1)C1CC1 ZINC000932359995 640498284 /nfs/dbraw/zinc/49/82/84/640498284.db2.gz KRGFTFRKNMRSQQ-LLVKDONJSA-N 0 1 237.372 2.270 20 0 BEADMN CC(C)CCN1CC(NC(=O)C2CCCC2)C1 ZINC001030044155 640537952 /nfs/dbraw/zinc/53/79/52/640537952.db2.gz NZABUNRKVFLEOB-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(CC)CN1CC(NC(=O)CC2CC2)C1 ZINC001030047024 640542616 /nfs/dbraw/zinc/54/26/16/640542616.db2.gz IUUFOUJYCLSPFT-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(F)c(CN[C@H]2COC[C@@H]2C)c1F ZINC000932486496 640552202 /nfs/dbraw/zinc/55/22/02/640552202.db2.gz ACWOMXPMXQASGU-CABZTGNLSA-N 0 1 241.281 2.398 20 0 BEADMN COCC1(CN2CCn3cccc3C2)CCC1 ZINC000932525402 640562541 /nfs/dbraw/zinc/56/25/41/640562541.db2.gz WWLPYNBWFQSDBY-UHFFFAOYSA-N 0 1 234.343 2.120 20 0 BEADMN CC(C)SCCN1CCn2cccc2C1 ZINC000932524535 640564128 /nfs/dbraw/zinc/56/41/28/640564128.db2.gz MSWUCFBHRNRFBR-UHFFFAOYSA-N 0 1 224.373 2.445 20 0 BEADMN C[C@H]1C[C@@H](CN2CCn3cccc3C2)CCO1 ZINC000932524480 640564454 /nfs/dbraw/zinc/56/44/54/640564454.db2.gz LAZOBWCNTSBDSJ-STQMWFEESA-N 0 1 234.343 2.119 20 0 BEADMN c1cc2n(c1)CCN(CC1=CCCC1)C2 ZINC000932526572 640565140 /nfs/dbraw/zinc/56/51/40/640565140.db2.gz MUNMVLVXLFUOJW-UHFFFAOYSA-N 0 1 202.301 2.414 20 0 BEADMN CO[C@H](CN1CCn2cccc2C1)C1CCC1 ZINC000932527036 640566114 /nfs/dbraw/zinc/56/61/14/640566114.db2.gz UUNOCQOHLMKKSP-CQSZACIVSA-N 0 1 234.343 2.119 20 0 BEADMN CO[C@@H](CC(C)C)CN1CCn2cccc2C1 ZINC000932527181 640566721 /nfs/dbraw/zinc/56/67/21/640566721.db2.gz YZRBKQJQHOKYNL-AWEZNQCLSA-N 0 1 236.359 2.365 20 0 BEADMN Cc1cc(F)ccc1[C@@H](C)NCc1c[nH]nn1 ZINC000932560124 640575835 /nfs/dbraw/zinc/57/58/35/640575835.db2.gz RCBKTWMCTOAUSM-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCn2nc(C3CC3)cc2C1 ZINC000932601646 640582564 /nfs/dbraw/zinc/58/25/64/640582564.db2.gz QCWRFQAZUSPAJE-ZYHUDNBSSA-N 0 1 231.343 2.232 20 0 BEADMN Cn1cncc1CN1CCC(F)(C2CC2)CC1 ZINC000932630118 640587402 /nfs/dbraw/zinc/58/74/02/640587402.db2.gz DHJVYGBDLBZBAS-UHFFFAOYSA-N 0 1 237.322 2.134 20 0 BEADMN Cc1nccc(CN2CCC(F)(C3CC3)CC2)n1 ZINC000932625630 640588885 /nfs/dbraw/zinc/58/88/85/640588885.db2.gz BGQKDHQFCLPKRM-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN Cn1cc(CN2CCC(F)(C3CC3)CC2)cn1 ZINC000932630883 640590429 /nfs/dbraw/zinc/59/04/29/640590429.db2.gz PNMFITWHFRPRKL-UHFFFAOYSA-N 0 1 237.322 2.134 20 0 BEADMN Cc1cc(NC(=O)C2(N(C)C)CCC2)ccc1O ZINC000157367308 640669710 /nfs/dbraw/zinc/66/97/10/640669710.db2.gz SXFRFDQYSRHCDG-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CC(C)C[C@@H](O)CNCc1ncc(Cl)s1 ZINC000225333708 640682215 /nfs/dbraw/zinc/68/22/15/640682215.db2.gz RWIBBMJLYBSMQI-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(C)c1 ZINC000933223762 640684543 /nfs/dbraw/zinc/68/45/43/640684543.db2.gz YXIYEPSHLZWMCR-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CC[C@H]1C(=O)NCCCN1Cc1ccc(C)cc1 ZINC000933228886 640687321 /nfs/dbraw/zinc/68/73/21/640687321.db2.gz VLQXOCXCFWIGIY-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CC1(C)C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000225424944 640691669 /nfs/dbraw/zinc/69/16/69/640691669.db2.gz OPLCEFUAQLUGML-YUMQZZPRSA-N 0 1 207.277 2.008 20 0 BEADMN Cc1ccccc1[C@H](C)C(=O)NCc1cnc[nH]1 ZINC000933269558 640696025 /nfs/dbraw/zinc/69/60/25/640696025.db2.gz QLKGMXIBIGMDFG-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN CC(C)CCNC1(c2ncccn2)CCOCC1 ZINC000933343205 640708516 /nfs/dbraw/zinc/70/85/16/640708516.db2.gz KUZUYMPMCBIGGG-UHFFFAOYSA-N 0 1 249.358 2.118 20 0 BEADMN C[C@@H](CSC(C)(C)C)NCc1cc[nH]n1 ZINC000167434673 640722966 /nfs/dbraw/zinc/72/29/66/640722966.db2.gz VYDQGSGNIQULSN-VIFPVBQESA-N 0 1 227.377 2.420 20 0 BEADMN C[C@@H]1CN(C[C@@](C)(O)c2ccccc2)C[C@@H](C)O1 ZINC000226035647 640724495 /nfs/dbraw/zinc/72/44/95/640724495.db2.gz IWTSOLYAGPYJSJ-UMVBOHGHSA-N 0 1 249.354 2.003 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)nn2)C1 ZINC000157780243 640730661 /nfs/dbraw/zinc/73/06/61/640730661.db2.gz RKRLGNFCFWXNHD-BDAKNGLRSA-N 0 1 225.723 2.360 20 0 BEADMN CC(C(=O)NC1CN(CC2CCC2)C1)=C1CCC1 ZINC001030288231 640732695 /nfs/dbraw/zinc/73/26/95/640732695.db2.gz BXBAOPDQUNUPHU-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN CC(C)=CCN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933670019 640741512 /nfs/dbraw/zinc/74/15/12/640741512.db2.gz SRHXRXWVWILUQI-UONOGXRCSA-N 0 1 239.359 2.080 20 0 BEADMN c1cn(CCN(Cc2ccoc2)C2CC2)cn1 ZINC000934001669 640800795 /nfs/dbraw/zinc/80/07/95/640800795.db2.gz GYZAUUSMJFULED-UHFFFAOYSA-N 0 1 231.299 2.141 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCOC2)sc1C ZINC000229456921 640957071 /nfs/dbraw/zinc/95/70/71/640957071.db2.gz WVWLQPIYWNOJKP-NSHDSACASA-N 0 1 226.345 2.029 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000229552308 640966998 /nfs/dbraw/zinc/96/69/98/640966998.db2.gz RJJYDECSMUCVTQ-SNVBAGLBSA-N 0 1 223.272 2.027 20 0 BEADMN CCCS(=O)(=O)CCN(CC(C)C)C(C)C ZINC000171883448 641020938 /nfs/dbraw/zinc/02/09/38/641020938.db2.gz IYFMOWUPWIBYQM-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN CC[C@@H](C)CN(C)Cn1cc(Cl)cn1 ZINC000171890544 641022209 /nfs/dbraw/zinc/02/22/09/641022209.db2.gz TVNSOXDJAVJGDM-SECBINFHSA-N 0 1 215.728 2.472 20 0 BEADMN CCN(CC1CC1)Cn1cccnc1=S ZINC000171958370 641023114 /nfs/dbraw/zinc/02/31/14/641023114.db2.gz HMLWXVNIVAEIEU-UHFFFAOYSA-N 0 1 223.345 2.302 20 0 BEADMN CCC[C@@](C)(NC[Si](C)(C)C)C(=O)OC ZINC000171936124 641023482 /nfs/dbraw/zinc/02/34/82/641023482.db2.gz MVJPYOUWBOTLCA-LLVKDONJSA-N 0 1 231.412 2.185 20 0 BEADMN CC1(C)CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000087773684 641024803 /nfs/dbraw/zinc/02/48/03/641024803.db2.gz KCYDNLAHPNADLN-NXEZZACHSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@H](Nc1nc(Cl)cs1)c1nnc[nH]1 ZINC000230430096 641055588 /nfs/dbraw/zinc/05/55/88/641055588.db2.gz SUBASQRKFIMTIQ-BYPYZUCNSA-N 0 1 229.696 2.088 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1ccc(Cl)cn1 ZINC000934105074 641067147 /nfs/dbraw/zinc/06/71/47/641067147.db2.gz BGMYLULKCCAKLB-VXGBXAGGSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)CC1(Br)CC1 ZINC000934107902 641069925 /nfs/dbraw/zinc/06/99/25/641069925.db2.gz NONFTASNFHWGTC-IUCAKERBSA-N 0 1 248.164 2.023 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)CC1(Br)CC1 ZINC000934107904 641071310 /nfs/dbraw/zinc/07/13/10/641071310.db2.gz NONFTASNFHWGTC-RKDXNWHRSA-N 0 1 248.164 2.023 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CC[C@@H]2OC)nc1 ZINC000934112282 641076104 /nfs/dbraw/zinc/07/61/04/641076104.db2.gz SFJABKXSXQXBHZ-KGLIPLIRSA-N 0 1 234.343 2.253 20 0 BEADMN Cc1cnc(CN[C@H](C)Cc2cccnc2)o1 ZINC000934225703 641105443 /nfs/dbraw/zinc/10/54/43/641105443.db2.gz DHBYSUNYIWIIHU-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN Cc1nc(CN[C@@H](C)Cc2cccnc2)oc1C ZINC000934233128 641110534 /nfs/dbraw/zinc/11/05/34/641110534.db2.gz DMMZEDIGANRFBG-JTQLQIEISA-N 0 1 245.326 2.407 20 0 BEADMN Cc1cnc(CN2CCCSC[C@H]2C)cn1 ZINC000934298779 641119739 /nfs/dbraw/zinc/11/97/39/641119739.db2.gz CBHLYMHICPZEMG-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1nnsc1CN1CCCSC[C@@H]1C ZINC000934298023 641120041 /nfs/dbraw/zinc/12/00/41/641120041.db2.gz RONWOUJCUIICRL-QMMMGPOBSA-N 0 1 243.401 2.174 20 0 BEADMN Cc1cc(CN2CCCSC[C@@H]2C)nn1C ZINC000934297959 641120693 /nfs/dbraw/zinc/12/06/93/641120693.db2.gz PRZFKDOXKJFOMW-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CC(=O)CCN1CCN(c2ccccc2)[C@H](C)C1 ZINC000934329163 641125855 /nfs/dbraw/zinc/12/58/55/641125855.db2.gz WVOHXLYCKPFRIF-CYBMUJFWSA-N 0 1 246.354 2.176 20 0 BEADMN c1csc(C[C@@H]2CCN(Cc3ccno3)C2)n1 ZINC000934335866 641126473 /nfs/dbraw/zinc/12/64/73/641126473.db2.gz MITQVKBMLSHWMK-JTQLQIEISA-N 0 1 249.339 2.196 20 0 BEADMN OCCC[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000607168701 641127191 /nfs/dbraw/zinc/12/71/91/641127191.db2.gz SPLCXXNWUSPQLY-AWEZNQCLSA-N 0 1 245.326 2.013 20 0 BEADMN c1csc(C[C@H]2CCN(Cc3ccno3)C2)n1 ZINC000934335867 641127930 /nfs/dbraw/zinc/12/79/30/641127930.db2.gz MITQVKBMLSHWMK-SNVBAGLBSA-N 0 1 249.339 2.196 20 0 BEADMN CCN(Cc1cnc(Cl)cn1)C1CC1 ZINC000231276156 641152066 /nfs/dbraw/zinc/15/20/66/641152066.db2.gz BNZFDQFINNXNSW-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CN(Cc1cnc(Cl)cn1)C1CCC1 ZINC000231284581 641154786 /nfs/dbraw/zinc/15/47/86/641154786.db2.gz GHWUHXSGOIKMRX-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN CCO[C@H]1CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000932973171 641168848 /nfs/dbraw/zinc/16/88/48/641168848.db2.gz TZWVYDYQPVVVAX-PWSUYJOCSA-N 0 1 238.306 2.393 20 0 BEADMN C[C@@]1(C2CC2)COCCN1CCOC1CCC1 ZINC000934478155 641170493 /nfs/dbraw/zinc/17/04/93/641170493.db2.gz KHEFHWMIWPRBIH-AWEZNQCLSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)[C@@H]2CN(Cn3cc[nH]c3=S)C[C@@H]21 ZINC000173365305 641171591 /nfs/dbraw/zinc/17/15/91/641171591.db2.gz SEKTTWYAFMMBRI-DTORHVGOSA-N 0 1 223.345 2.091 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(CCC)C2CC2)C1 ZINC000173340589 641172541 /nfs/dbraw/zinc/17/25/41/641172541.db2.gz YOQVUUNVIQPOAD-GFCCVEGCSA-N 0 1 238.375 2.467 20 0 BEADMN C[C@@H]1CCCN1Cn1cnc(-c2ccccc2)n1 ZINC000173525744 641183441 /nfs/dbraw/zinc/18/34/41/641183441.db2.gz MKKQCIGGINBBDF-GFCCVEGCSA-N 0 1 242.326 2.387 20 0 BEADMN O[C@H]1CCN(CCC2CCCCC2)C[C@H]1F ZINC000934565213 641195565 /nfs/dbraw/zinc/19/55/65/641195565.db2.gz GOQSCDPEIUEUHV-OLZOCXBDSA-N 0 1 229.339 2.362 20 0 BEADMN O[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C[C@H]1F ZINC000934571106 641201584 /nfs/dbraw/zinc/20/15/84/641201584.db2.gz OUJGXPUDFOZEDW-BPLDGKMQSA-N 0 1 249.329 2.121 20 0 BEADMN O[C@@H]1CCN(C[C@H]2CCc3ccccc32)C[C@H]1F ZINC000934571106 641201593 /nfs/dbraw/zinc/20/15/93/641201593.db2.gz OUJGXPUDFOZEDW-BPLDGKMQSA-N 0 1 249.329 2.121 20 0 BEADMN Cc1cccc(C)c1CN1CC[C@H](O)[C@H](F)C1 ZINC000934573361 641202683 /nfs/dbraw/zinc/20/26/83/641202683.db2.gz FERLRYMUVJPWHH-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN O[C@@H]1CCN([C@@H]2C=CCCCCC2)C[C@@H]1F ZINC000934575280 641207467 /nfs/dbraw/zinc/20/74/67/641207467.db2.gz WDHMLDTZDXWEON-FRRDWIJNSA-N 0 1 227.323 2.280 20 0 BEADMN O[C@@H]1CCN([C@H]2C=CCCCCC2)C[C@H]1F ZINC000934575285 641207923 /nfs/dbraw/zinc/20/79/23/641207923.db2.gz WDHMLDTZDXWEON-YNEHKIRRSA-N 0 1 227.323 2.280 20 0 BEADMN CSCC(C)(C)NCc1nocc1C ZINC000934662930 641237253 /nfs/dbraw/zinc/23/72/53/641237253.db2.gz HWZIUXPJQWNGLP-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN Cc1c[nH]nc1CN[C@H](c1ccncc1)C1CC1 ZINC000934698900 641249787 /nfs/dbraw/zinc/24/97/87/641249787.db2.gz RHFZCYXRMUMRRS-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN O=C(NC1(C2CC2)CC1)c1cccc(F)c1O ZINC000934740315 641257817 /nfs/dbraw/zinc/25/78/17/641257817.db2.gz QIMSAKLPMGPBLQ-UHFFFAOYSA-N 0 1 235.258 2.204 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cccc(F)c1O ZINC000934911561 641299304 /nfs/dbraw/zinc/29/93/04/641299304.db2.gz PTCXRYONMBPLLZ-QMMMGPOBSA-N 0 1 241.262 2.333 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000232546801 641301162 /nfs/dbraw/zinc/30/11/62/641301162.db2.gz JKJYOTHCDIXEMO-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000232566642 641302778 /nfs/dbraw/zinc/30/27/78/641302778.db2.gz RNARHZOZISPRGG-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)cn1 ZINC000934959247 641309947 /nfs/dbraw/zinc/30/99/47/641309947.db2.gz BCKBGQJNRHCYQU-ZDUSSCGKSA-N 0 1 247.342 2.201 20 0 BEADMN CS[C@H](C)CNC(=O)c1cccc(F)c1O ZINC000935041386 641322928 /nfs/dbraw/zinc/32/29/28/641322928.db2.gz QBNPITZSUWAHQR-SSDOTTSWSA-N 0 1 243.303 2.013 20 0 BEADMN CC(C)(C)CC(C)(C)C(=O)NCCN1CCC1 ZINC000935046005 641323819 /nfs/dbraw/zinc/32/38/19/641323819.db2.gz ODKGKNHAAQTNKT-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC1(NC(=O)c2cc(F)cc(F)c2O)CCC1 ZINC000935079227 641332871 /nfs/dbraw/zinc/33/28/71/641332871.db2.gz KUVNIPTYVFXCHG-UHFFFAOYSA-N 0 1 241.237 2.343 20 0 BEADMN C[C@@H](NC(=O)c1cccc(F)c1O)C1CCC1 ZINC000935088390 641334285 /nfs/dbraw/zinc/33/42/85/641334285.db2.gz POERZQKIBKEGHE-MRVPVSSYSA-N 0 1 237.274 2.450 20 0 BEADMN CCCCOCCNCc1c(C)noc1C ZINC000088347643 641340960 /nfs/dbraw/zinc/34/09/60/641340960.db2.gz VWYHWXZQMSROEG-UHFFFAOYSA-N 0 1 226.320 2.198 20 0 BEADMN CO[C@@H]1C[C@H]1C(=O)Nc1cccc(Cl)c1O ZINC000935108695 641342183 /nfs/dbraw/zinc/34/21/83/641342183.db2.gz OZZAMTUUGSDZFL-HZGVNTEJSA-N 0 1 241.674 2.019 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC(F)(F)C1 ZINC000935256410 641374803 /nfs/dbraw/zinc/37/48/03/641374803.db2.gz DBSXYWUFPUQZPQ-UHFFFAOYSA-N 0 1 245.200 2.013 20 0 BEADMN CC1=CCN(CCNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC000935398761 641402610 /nfs/dbraw/zinc/40/26/10/641402610.db2.gz XUHSWFLKQYVCKR-HNNXBMFYSA-N 0 1 248.370 2.111 20 0 BEADMN CCCC[C@H](CC)C(=O)NC12CCN(CC1)C2 ZINC000913627598 641431861 /nfs/dbraw/zinc/43/18/61/641431861.db2.gz QPKRGYIYWCSKIJ-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC1(c2ccccc2C(=O)Nc2c[nH]nn2)CC1 ZINC000935594086 641435144 /nfs/dbraw/zinc/43/51/44/641435144.db2.gz DFHOPUQSECWILU-UHFFFAOYSA-N 0 1 242.282 2.109 20 0 BEADMN CC1=C(C)C[C@@](C)(C(=O)Nc2c[nH]nn2)CC1 ZINC000935594747 641436462 /nfs/dbraw/zinc/43/64/62/641436462.db2.gz MHZLYHZEIZJWRA-LBPRGKRZSA-N 0 1 234.303 2.270 20 0 BEADMN CC1=C(C)C[C@](C)(C(=O)Nc2c[nH]nn2)CC1 ZINC000935594746 641437096 /nfs/dbraw/zinc/43/70/96/641437096.db2.gz MHZLYHZEIZJWRA-GFCCVEGCSA-N 0 1 234.303 2.270 20 0 BEADMN O=C(Nc1c[nH]nn1)C1CC2(C1)CCCCC2 ZINC000935595953 641438337 /nfs/dbraw/zinc/43/83/37/641438337.db2.gz YOPUBLHNQUKKNQ-UHFFFAOYSA-N 0 1 234.303 2.104 20 0 BEADMN Cc1c[nH]nc1NC(=O)C1=C(C)N(C(C)C)CC1 ZINC000935650614 641452692 /nfs/dbraw/zinc/45/26/92/641452692.db2.gz NQGONSPAVIOMOS-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN CCC1(CC)CCCN1C(=O)Cc1c[nH]cn1 ZINC000913807019 641482773 /nfs/dbraw/zinc/48/27/73/641482773.db2.gz PSIZWTHJDBJUSF-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN CN(Cn1cc(Cl)cn1)CC(C)(C)C ZINC000151939302 641487305 /nfs/dbraw/zinc/48/73/05/641487305.db2.gz UICGTICDOUKPOQ-UHFFFAOYSA-N 0 1 215.728 2.472 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC[C@@H]2C[C@@H]21 ZINC000935924176 641503710 /nfs/dbraw/zinc/50/37/10/641503710.db2.gz QSEBNHPMXSGNJX-KCJUWKMLSA-N 0 1 235.258 2.156 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000935961631 641508513 /nfs/dbraw/zinc/50/85/13/641508513.db2.gz GECCHNOPRJVDFJ-ONGXEEELSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000935961628 641508543 /nfs/dbraw/zinc/50/85/43/641508543.db2.gz GECCHNOPRJVDFJ-GXSJLCMTSA-N 0 1 248.330 2.037 20 0 BEADMN C[C@H](C[N@@H+](Cc1ccsc1)C1CC1)C(=O)[O-] ZINC000042469067 641552248 /nfs/dbraw/zinc/55/22/48/641552248.db2.gz YOJRRWNCQINOPC-SECBINFHSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1C[C@H](Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C ZINC000155838971 641584829 /nfs/dbraw/zinc/58/48/29/641584829.db2.gz WEVHDFCDZDVGFG-ZWNOBZJWSA-N 0 1 248.326 2.279 20 0 BEADMN CCCCN(CCCC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000044481298 641603520 /nfs/dbraw/zinc/60/35/20/641603520.db2.gz FFGBPKCVHNWSHP-GHMZBOCLSA-N 0 1 242.319 2.080 20 0 BEADMN CCc1cccnc1-c1noc([C@H](CC)NC)n1 ZINC000157265109 641617048 /nfs/dbraw/zinc/61/70/48/641617048.db2.gz DIRSVRGSVONBHA-JTQLQIEISA-N 0 1 246.314 2.365 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000158347770 641631187 /nfs/dbraw/zinc/63/11/87/641631187.db2.gz YZUIBAPCQHPURX-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C(c1noc2c1COCC2)N1[C@H]2CC[C@@H]1CCC2 ZINC000929812988 641648304 /nfs/dbraw/zinc/64/83/04/641648304.db2.gz CDWYYLOWXQQZSP-PHIMTYICSA-N 0 1 248.326 2.264 20 0 BEADMN CCCOC(=O)[C@H](C)[N@@H+](C)C(C1CC1)C1CC1 ZINC000159868002 641705062 /nfs/dbraw/zinc/70/50/62/641705062.db2.gz ARADSPPTWSSCBM-JTQLQIEISA-N 0 1 239.359 2.449 20 0 BEADMN Cc1ccoc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000229551124 641758042 /nfs/dbraw/zinc/75/80/42/641758042.db2.gz FGZKQVVBVBDFPZ-UHFFFAOYSA-N 0 1 225.288 2.273 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC(F)CC1 ZINC000914983660 641790252 /nfs/dbraw/zinc/79/02/52/641790252.db2.gz NHJBPDRFTHVMIH-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN Fc1ccc(CNc2ccc3nn[nH]c3c2)cn1 ZINC000189152796 641791596 /nfs/dbraw/zinc/79/15/96/641791596.db2.gz BLNASYJHAQEGGW-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN Fc1ccc(CNc2ccc3n[nH]nc3c2)cn1 ZINC000189152796 641791600 /nfs/dbraw/zinc/79/16/00/641791600.db2.gz BLNASYJHAQEGGW-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2CCOC[C@@H]2C)o1 ZINC000763905035 641792248 /nfs/dbraw/zinc/79/22/48/641792248.db2.gz XEDLUGKXCRHFBS-WDEREUQCSA-N 0 1 238.331 2.313 20 0 BEADMN C#CCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000153480492 641802759 /nfs/dbraw/zinc/80/27/59/641802759.db2.gz FVPUEHPRSUUJNK-CYBMUJFWSA-N 0 1 237.343 2.063 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C[C@H](C)C1CC1 ZINC000076431807 641809518 /nfs/dbraw/zinc/80/95/18/641809518.db2.gz XKUOTPNOBOFXMB-JTQLQIEISA-N 0 1 249.358 2.203 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)CN2CCCC2)cc1 ZINC000915216632 641809542 /nfs/dbraw/zinc/80/95/42/641809542.db2.gz JMOSXQHJRDWJBE-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN O[C@@H](CN1CCCCC1)c1c(F)cccc1F ZINC000076406035 641810375 /nfs/dbraw/zinc/81/03/75/641810375.db2.gz QJTFMIMNCLHOQQ-LBPRGKRZSA-N 0 1 241.281 2.484 20 0 BEADMN CCc1nc(CNC[C@@H]2CCC=CO2)cs1 ZINC000189558242 641810528 /nfs/dbraw/zinc/81/05/28/641810528.db2.gz TXRCQIDIKHZOPY-NSHDSACASA-N 0 1 238.356 2.488 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC[C@H]1c1ccc[nH]1 ZINC000929887370 641838430 /nfs/dbraw/zinc/83/84/30/641838430.db2.gz UTKABPAOEMEJDH-STRFDMGBSA-N 0 1 248.326 2.271 20 0 BEADMN CCCC(=O)NC1CCN(C/C=C\Cl)CC1 ZINC000915679854 641852897 /nfs/dbraw/zinc/85/28/97/641852897.db2.gz JMABRLLUWUIVJK-CLTKARDFSA-N 0 1 244.766 2.120 20 0 BEADMN OCC[C@@H](NCc1ccccn1)c1cccs1 ZINC000077460002 641857880 /nfs/dbraw/zinc/85/78/80/641857880.db2.gz DAPYLLFEIYZPEM-GFCCVEGCSA-N 0 1 248.351 2.356 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@H]1CCC=CO1 ZINC000191067135 641898708 /nfs/dbraw/zinc/89/87/08/641898708.db2.gz UDFIQGWYRPSIHE-GFCCVEGCSA-N 0 1 236.315 2.416 20 0 BEADMN CCc1nc(S[C@H](C)c2ncccn2)n[nH]1 ZINC000916515275 641940807 /nfs/dbraw/zinc/94/08/07/641940807.db2.gz HZDGAAOVEKGCBU-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1n[nH]c(S[C@H](C)c2ncccn2)n1 ZINC000916515275 641940816 /nfs/dbraw/zinc/94/08/16/641940816.db2.gz HZDGAAOVEKGCBU-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN CCCCC[C@@H](C)NCc1nc(N(C)C)no1 ZINC000191896416 641948301 /nfs/dbraw/zinc/94/83/01/641948301.db2.gz OIDBRMKAWZPXFP-SNVBAGLBSA-N 0 1 240.351 2.194 20 0 BEADMN Cn1nccc1[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000916740345 641973875 /nfs/dbraw/zinc/97/38/75/641973875.db2.gz UIRBWICGNZSSLV-GQOHGMTASA-N 0 1 239.750 2.352 20 0 BEADMN Cn1nccc1[C@H]1CCCN(C/C=C/Cl)C1 ZINC000916740345 641973877 /nfs/dbraw/zinc/97/38/77/641973877.db2.gz UIRBWICGNZSSLV-GQOHGMTASA-N 0 1 239.750 2.352 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCCc1ccccc1 ZINC000917046283 641995857 /nfs/dbraw/zinc/99/58/57/641995857.db2.gz VRSFANLOSSATKZ-LBPRGKRZSA-N 0 1 248.351 2.227 20 0 BEADMN CNC(=O)CN1CCC(C2CCCCC2)CC1 ZINC000917059558 641997468 /nfs/dbraw/zinc/99/74/68/641997468.db2.gz JHLHJURIQOVWGN-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1cn[nH]c1CSC1CCOCC1 ZINC000917359202 642044195 /nfs/dbraw/zinc/04/41/95/642044195.db2.gz MSDZVRJBGWLBOX-UHFFFAOYSA-N 0 1 212.318 2.130 20 0 BEADMN CCC(N)=NOCCOc1ccc(C)cc1 ZINC000917418266 642056621 /nfs/dbraw/zinc/05/66/21/642056621.db2.gz PBRVJLZDXILOHY-UHFFFAOYSA-N 0 1 222.288 2.282 20 0 BEADMN Cc1cn[nH]c1CS[C@H]1CCCOC1 ZINC000917427071 642061688 /nfs/dbraw/zinc/06/16/88/642061688.db2.gz ZNGRYTBFTUPFMW-VIFPVBQESA-N 0 1 212.318 2.130 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC(C)(C)C(C)C ZINC000917562691 642082749 /nfs/dbraw/zinc/08/27/49/642082749.db2.gz RUDOUNCDOPEGDW-MRVPVSSYSA-N 0 1 214.334 2.029 20 0 BEADMN CCC[C@@H](CC)Sc1c(C)[nH][nH]c1=O ZINC000917611248 642098409 /nfs/dbraw/zinc/09/84/09/642098409.db2.gz IKQIHNGWFUNNJJ-RKDXNWHRSA-N 0 1 214.334 2.173 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)OC1CCCC1 ZINC000918689630 642250460 /nfs/dbraw/zinc/25/04/60/642250460.db2.gz UWYQSVPUTINFBY-UHFFFAOYSA-N 0 1 237.303 2.229 20 0 BEADMN CC1(C)COC[C@@H]1NC/C(Cl)=C\Cl ZINC000313035934 642313644 /nfs/dbraw/zinc/31/36/44/642313644.db2.gz MGZWZGBYLNPQGT-DKCNVOGISA-N 0 1 224.131 2.320 20 0 BEADMN CC(C)C(C)(C)CSCc1nn[n-]n1 ZINC000919275272 642318974 /nfs/dbraw/zinc/31/89/74/642318974.db2.gz ALBLJMMBZOQERK-UHFFFAOYSA-N 0 1 214.338 2.115 20 0 BEADMN CC(C)C(C)(C)CSCc1nn[nH]n1 ZINC000919275272 642318980 /nfs/dbraw/zinc/31/89/80/642318980.db2.gz ALBLJMMBZOQERK-UHFFFAOYSA-N 0 1 214.338 2.115 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cc(O)cc(F)c1 ZINC000925465540 642337723 /nfs/dbraw/zinc/33/77/23/642337723.db2.gz YKFCISQALYHKFP-MRVPVSSYSA-N 0 1 249.289 2.414 20 0 BEADMN CC(C)CN(C)Cn1cc(Cl)cn1 ZINC000308141925 642433808 /nfs/dbraw/zinc/43/38/08/642433808.db2.gz JEBLXPWRGWNIQH-UHFFFAOYSA-N 0 1 201.701 2.082 20 0 BEADMN COC(OC)[C@H](C)NCc1ccccc1Cl ZINC000070653020 642439140 /nfs/dbraw/zinc/43/91/40/642439140.db2.gz KIGGPOYVWIVWOW-VIFPVBQESA-N 0 1 243.734 2.437 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C(C)C)CC1 ZINC000920218370 642457423 /nfs/dbraw/zinc/45/74/23/642457423.db2.gz FOBZZMAPPRJMQI-ACCUITESSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)Cc1ccc(CN2CCN(C)CC2)cn1 ZINC000891390717 642459497 /nfs/dbraw/zinc/45/94/97/642459497.db2.gz OOYSHFZBVILSMQ-UHFFFAOYSA-N 0 1 247.386 2.028 20 0 BEADMN CCCCN(C)Cn1ccc(Br)n1 ZINC000308246307 642511234 /nfs/dbraw/zinc/51/12/34/642511234.db2.gz WCVWUOPYANOOCS-UHFFFAOYSA-N 0 1 246.152 2.335 20 0 BEADMN COC[C@H](C)NCc1cc(C)cnc1Cl ZINC000921470896 642630527 /nfs/dbraw/zinc/63/05/27/642630527.db2.gz PHZQQMJAKCROKV-VIFPVBQESA-N 0 1 228.723 2.168 20 0 BEADMN Cc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000921480600 642635621 /nfs/dbraw/zinc/63/56/21/642635621.db2.gz NQQUDUNXNFOBGF-UHFFFAOYSA-N 0 1 247.317 2.451 20 0 BEADMN CCC[C@@H](C)n1cc(CNC(C)C)nn1 ZINC000233286288 642658051 /nfs/dbraw/zinc/65/80/51/642658051.db2.gz JWHCNXFCUIMEKS-SNVBAGLBSA-N 0 1 210.325 2.137 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000233925499 642707228 /nfs/dbraw/zinc/70/72/28/642707228.db2.gz VOBWTTDGYPLCRM-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN CC(C)[C@H](N)c1noc(C(C)(Cl)Cl)n1 ZINC000306364870 642741426 /nfs/dbraw/zinc/74/14/26/642741426.db2.gz FKJMFFACDOOXID-YFKPBYRVSA-N 0 1 238.118 2.376 20 0 BEADMN Cc1ccc([C@@H](C)NCC2OCCO2)cc1F ZINC000180263569 642782333 /nfs/dbraw/zinc/78/23/33/642782333.db2.gz YDPIOCUWFWYCEH-SNVBAGLBSA-N 0 1 239.290 2.158 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2[C@@H](C)O)s1 ZINC000180484390 642800181 /nfs/dbraw/zinc/80/01/81/642800181.db2.gz VZLNYXGUDUNLGI-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN CCCn1cc(N[C@H](C)c2cn[nH]c2C)cn1 ZINC000181127793 642840655 /nfs/dbraw/zinc/84/06/55/642840655.db2.gz VHNYYDRSULIDGO-SECBINFHSA-N 0 1 233.319 2.498 20 0 BEADMN CC(C)COC(=O)CN1[C@H](C)CC[C@H]1C ZINC000181475775 642876579 /nfs/dbraw/zinc/87/65/79/642876579.db2.gz IVVISNCTINOESD-GHMZBOCLSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@@H](C)C1 ZINC000069794767 642905713 /nfs/dbraw/zinc/90/57/13/642905713.db2.gz IVYHLTYTIOLEIG-PSASIEDQSA-N 0 1 209.293 2.046 20 0 BEADMN CCONC(=O)C(C)(C)c1ccccc1C ZINC000069987794 642949186 /nfs/dbraw/zinc/94/91/86/642949186.db2.gz IOSFGAWXQNHYID-UHFFFAOYSA-N 0 1 221.300 2.340 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2CCCS2)n1 ZINC000070004730 642950423 /nfs/dbraw/zinc/95/04/23/642950423.db2.gz BTDYZEHMZIOGPP-YUMQZZPRSA-N 0 1 227.333 2.294 20 0 BEADMN Cc1ccc(CNC[C@@H](O)c2ccco2)o1 ZINC000070125046 642971780 /nfs/dbraw/zinc/97/17/80/642971780.db2.gz ALMVUASKTRBWFD-LLVKDONJSA-N 0 1 221.256 2.004 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1ccc(F)cc1 ZINC000070261844 643006916 /nfs/dbraw/zinc/00/69/16/643006916.db2.gz XKKVQRUXEREZAF-VIFPVBQESA-N 0 1 249.289 2.238 20 0 BEADMN CC[C@H](C)[C@H](C(=O)NOC)c1ccccc1 ZINC000070275333 643010072 /nfs/dbraw/zinc/01/00/72/643010072.db2.gz HTJICSTUXYQPMV-JQWIXIFHSA-N 0 1 221.300 2.494 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCc1cccs1 ZINC000070618052 643052367 /nfs/dbraw/zinc/05/23/67/643052367.db2.gz NADJUSUKLIIBLS-GFCCVEGCSA-N 0 1 239.340 2.230 20 0 BEADMN C[C@@H](NC[C@H](O)C1CC1)c1c(F)cccc1F ZINC000071298879 643125343 /nfs/dbraw/zinc/12/53/43/643125343.db2.gz RYYXTPPJJAOGPR-PELKAZGASA-N 0 1 241.281 2.386 20 0 BEADMN C[C@@H](NCCSC(F)(F)F)c1ncc[nH]1 ZINC000286363390 643135173 /nfs/dbraw/zinc/13/51/73/643135173.db2.gz ZIEUHBAYDFBTKD-ZCFIWIBFSA-N 0 1 239.266 2.313 20 0 BEADMN Cc1ccncc1CN1CCO[C@@H](C)CC1 ZINC000932340036 643149135 /nfs/dbraw/zinc/14/91/35/643149135.db2.gz HHUAWQOWFIIEQR-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccc(Cn2cc(CNC(C)C)nn2)cc1 ZINC000090297405 643150587 /nfs/dbraw/zinc/15/05/87/643150587.db2.gz OMSTVSIDBUUONX-UHFFFAOYSA-N 0 1 244.342 2.133 20 0 BEADMN CC(C)(C)NCc1cn(-c2cccc(F)c2)nn1 ZINC000090299393 643153881 /nfs/dbraw/zinc/15/38/81/643153881.db2.gz TWFWOBOISTVLFU-UHFFFAOYSA-N 0 1 248.305 2.295 20 0 BEADMN CC/C=C/CCN(CCS(C)(=O)=O)C(C)C ZINC000184688455 643229139 /nfs/dbraw/zinc/22/91/39/643229139.db2.gz WMPJOMQQCGBUEW-VOTSOKGWSA-N 0 1 247.404 2.098 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CCCC3(CC3)C2)C1 ZINC000184863775 643245543 /nfs/dbraw/zinc/24/55/43/643245543.db2.gz ZGGWJSJUTPHNET-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN O=C(C=C1CCCC1)N1CCN(C2CCC2)CC1 ZINC000733274634 643315888 /nfs/dbraw/zinc/31/58/88/643315888.db2.gz MHWPIBWXRSBVJI-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN CC(C)Oc1ccc(CNCc2c[nH]cn2)cc1 ZINC000112340657 643327940 /nfs/dbraw/zinc/32/79/40/643327940.db2.gz ABKYNAUSFCXMGE-UHFFFAOYSA-N 0 1 245.326 2.487 20 0 BEADMN CO[C@H](CNCc1cccc(O)c1)C(F)(F)F ZINC000733329563 643328561 /nfs/dbraw/zinc/32/85/61/643328561.db2.gz GWCOJBPQQAABEK-SNVBAGLBSA-N 0 1 249.232 2.059 20 0 BEADMN C/C=C/C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000082551530 643341490 /nfs/dbraw/zinc/34/14/90/643341490.db2.gz MYJBUQUVERMZGN-RWCYGVJQSA-N 0 1 238.356 2.043 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000185628193 643345688 /nfs/dbraw/zinc/34/56/88/643345688.db2.gz NNGCAFICIDRFAV-WDEREUQCSA-N 0 1 244.294 2.494 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000185628213 643345940 /nfs/dbraw/zinc/34/59/40/643345940.db2.gz NNGCAFICIDRFAV-GHMZBOCLSA-N 0 1 244.294 2.494 20 0 BEADMN Cc1nc(CCN2CCn3cccc3C2)cs1 ZINC000932528812 643351900 /nfs/dbraw/zinc/35/19/00/643351900.db2.gz QJQHDLMKBPKKRP-UHFFFAOYSA-N 0 1 247.367 2.311 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000082644588 643360128 /nfs/dbraw/zinc/36/01/28/643360128.db2.gz HIMMRZIPVNVJTI-NSHDSACASA-N 0 1 238.356 2.253 20 0 BEADMN CCN(C(=O)CN1CCCC1)c1ccccc1C ZINC000073140922 643400273 /nfs/dbraw/zinc/40/02/73/643400273.db2.gz YDFJJASHSNSOOY-UHFFFAOYSA-N 0 1 246.354 2.444 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCCCN3)n2)o1 ZINC000083101113 643412167 /nfs/dbraw/zinc/41/21/67/643412167.db2.gz FVDJUNDFTFTVLN-VIFPVBQESA-N 0 1 233.271 2.453 20 0 BEADMN Cc1ccsc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083405243 643446944 /nfs/dbraw/zinc/44/69/44/643446944.db2.gz CGYTYKWSTQJOEG-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])s1 ZINC000083415436 643448346 /nfs/dbraw/zinc/44/83/46/643448346.db2.gz HDFGDMPJGFOJQQ-QMMMGPOBSA-N 0 1 227.329 2.209 20 0 BEADMN Cc1ccsc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000083415394 643448542 /nfs/dbraw/zinc/44/85/42/643448542.db2.gz NTSDSNHWTCSYJP-VIFPVBQESA-N 0 1 227.329 2.209 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CCSCC1 ZINC000307367848 643457062 /nfs/dbraw/zinc/45/70/62/643457062.db2.gz MQEQBEPGOJAUPX-ZETCQYMHSA-N 0 1 226.172 2.229 20 0 BEADMN C[C@H](O)[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000336777218 643460204 /nfs/dbraw/zinc/46/02/04/643460204.db2.gz HSBSNHSZYMSKEO-IUCAKERBSA-N 0 1 242.388 2.300 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC000733870302 643475515 /nfs/dbraw/zinc/47/55/15/643475515.db2.gz QGJRXAQMSITFRL-AWEZNQCLSA-N 0 1 246.354 2.360 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001032318187 643495007 /nfs/dbraw/zinc/49/50/07/643495007.db2.gz IYJVUQBAYDHWBB-KBPBESRZSA-N 0 1 248.370 2.182 20 0 BEADMN C/C=C/COC(=O)c1c(F)cc(O)cc1F ZINC000735952692 643572942 /nfs/dbraw/zinc/57/29/42/643572942.db2.gz RBMFBJCQSZCTHE-NSCUHMNNSA-N 0 1 228.194 2.403 20 0 BEADMN C=C(Cl)CN(CCC(=O)OCC)CC1CC1 ZINC000050032403 643580494 /nfs/dbraw/zinc/58/04/94/643580494.db2.gz ISAHPRHANITXOY-UHFFFAOYSA-N 0 1 245.750 2.404 20 0 BEADMN CCCCCCN(CC(=O)OC)C(C)C ZINC000050063418 643584041 /nfs/dbraw/zinc/58/40/41/643584041.db2.gz ATURWDQWVYEAQA-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638427 643600892 /nfs/dbraw/zinc/60/08/92/643600892.db2.gz LTEZIQVQWDZTSG-SNVBAGLBSA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1cccs1 ZINC000086269934 643631612 /nfs/dbraw/zinc/63/16/12/643631612.db2.gz DDXQVTXARNURNR-MWLCHTKSSA-N 0 1 239.340 2.086 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000083989091 643638426 /nfs/dbraw/zinc/63/84/26/643638426.db2.gz QPYJJEFRZXJJCW-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN CC(=O)CCN1CCC[C@H](C(F)(F)F)C1 ZINC000087555893 643664231 /nfs/dbraw/zinc/66/42/31/643664231.db2.gz ZFASBZKZXVACQW-VIFPVBQESA-N 0 1 223.238 2.240 20 0 BEADMN C[C@H](NCc1cnn(CCF)c1)c1ccc[nH]1 ZINC000921939476 643830184 /nfs/dbraw/zinc/83/01/84/643830184.db2.gz RMRAPURJCIHLKC-JTQLQIEISA-N 0 1 236.294 2.032 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2CCO[C@@H]2C)c1 ZINC000921951297 643832508 /nfs/dbraw/zinc/83/25/08/643832508.db2.gz VFWOPLTYLZGLSY-MWLCHTKSSA-N 0 1 240.734 2.310 20 0 BEADMN FC1(F)CC(NCc2cnn(C3CCC3)c2)C1 ZINC000922058897 643856161 /nfs/dbraw/zinc/85/61/61/643856161.db2.gz CANXKBOLSSLSSW-UHFFFAOYSA-N 0 1 241.285 2.495 20 0 BEADMN C/C=C(/C=C\C(=O)NC[C@H]1CCN1CC)CC ZINC000922158157 643878422 /nfs/dbraw/zinc/87/84/22/643878422.db2.gz FEJRQBXJZJFDNG-XJFIFDLGSA-N 0 1 236.359 2.109 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@H]1C=CCC1 ZINC000922240602 643916779 /nfs/dbraw/zinc/91/67/79/643916779.db2.gz IWMSUJYQGBQSRR-QMMMGPOBSA-N 0 1 225.723 2.434 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cccc2c1OCC2 ZINC000922287704 643954524 /nfs/dbraw/zinc/95/45/24/643954524.db2.gz KXTPBFYMGKURIC-HIFRSBDPSA-N 0 1 247.338 2.279 20 0 BEADMN Cc1n[nH]cc1CNC(C)(C)/C=C/Cl ZINC000922648543 644053342 /nfs/dbraw/zinc/05/33/42/644053342.db2.gz NAJJHCAKENPNDD-SNAWJCMRSA-N 0 1 213.712 2.339 20 0 BEADMN Cc1cc(CC(=O)OCCCC(C)(F)F)n[nH]1 ZINC000922522033 644012977 /nfs/dbraw/zinc/01/29/77/644012977.db2.gz QEROFAISAYXMEB-UHFFFAOYSA-N 0 1 246.257 2.239 20 0 BEADMN Cc1cc(CN[C@H](c2ccccn2)C2CC2)[nH]n1 ZINC000922587321 644035535 /nfs/dbraw/zinc/03/55/35/644035535.db2.gz ZIGACNKJVZKQMB-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN CCC1(CC)CCN([C@H]2CCOC2=O)CC1 ZINC000186553258 644038994 /nfs/dbraw/zinc/03/89/94/644038994.db2.gz BPMYNNCYHYCCKV-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cnc2n1CCC2 ZINC000922645638 644051644 /nfs/dbraw/zinc/05/16/44/644051644.db2.gz UAEVHMKMLWKQSZ-WAYWQWQTSA-N 0 1 239.750 2.450 20 0 BEADMN Cn1cc(CNC(C)(C)/C=C/Cl)cn1 ZINC000922650169 644057332 /nfs/dbraw/zinc/05/73/32/644057332.db2.gz MKQDOGBAJSXSDK-SNAWJCMRSA-N 0 1 213.712 2.041 20 0 BEADMN Cn1ccnc1CNC[C@H]1CCCC2(CCC2)O1 ZINC000922814276 644099388 /nfs/dbraw/zinc/09/93/88/644099388.db2.gz VNUQDTUKZCOFFX-GFCCVEGCSA-N 0 1 249.358 2.002 20 0 BEADMN C[C@@]1(CNCc2cn(C3CC3)cn2)CCCCO1 ZINC000922818896 644109302 /nfs/dbraw/zinc/10/93/02/644109302.db2.gz TYXPHLUCNIIPQS-AWEZNQCLSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1cnc(CN[C@H]2CCS[C@H](C)C2)o1 ZINC000922834614 644111875 /nfs/dbraw/zinc/11/18/75/644111875.db2.gz VTFHYDILLVCPDL-ZJUUUORDSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@@H](N[C@H](C)c1ccncc1)c1ccnn1C ZINC000192246081 644141342 /nfs/dbraw/zinc/14/13/42/644141342.db2.gz AVOZQGMGZDIOHN-GHMZBOCLSA-N 0 1 230.315 2.227 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CCc2ccccc2C1 ZINC000086726803 644168177 /nfs/dbraw/zinc/16/81/77/644168177.db2.gz XXGRDYSQOBZQGM-UONOGXRCSA-N 0 1 245.322 2.093 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000079487277 644183811 /nfs/dbraw/zinc/18/38/11/644183811.db2.gz PQGKGIDUNMUGPF-CQSZACIVSA-N 0 1 249.310 2.134 20 0 BEADMN O[C@@H]1CCc2ccccc2[C@@H]1NCc1ccoc1 ZINC000922988232 644216609 /nfs/dbraw/zinc/21/66/09/644216609.db2.gz OIAZZDXXTXEJRB-CABCVRRESA-N 0 1 243.306 2.418 20 0 BEADMN CCCN(CCC)CN1CCSC1=O ZINC000193257781 644227397 /nfs/dbraw/zinc/22/73/97/644227397.db2.gz SNWHGWSQLFCRAA-UHFFFAOYSA-N 0 1 216.350 2.235 20 0 BEADMN CCn1ncnc1CN1CCCCCCC1 ZINC000193291866 644230651 /nfs/dbraw/zinc/23/06/51/644230651.db2.gz SZJVIFBXBMMPNQ-UHFFFAOYSA-N 0 1 222.336 2.064 20 0 BEADMN Cc1nocc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923027780 644234930 /nfs/dbraw/zinc/23/49/30/644234930.db2.gz IUWAOFTUQZCFIJ-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CCn1ccnc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923030680 644237151 /nfs/dbraw/zinc/23/71/51/644237151.db2.gz QKVJKWFTTCTGNC-LBPRGKRZSA-N 0 1 249.358 2.094 20 0 BEADMN CC1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000074148321 644271665 /nfs/dbraw/zinc/27/16/65/644271665.db2.gz SNGSOMSKPNBGSB-VQXHTEKXSA-N 0 1 211.305 2.114 20 0 BEADMN CN(Cn1cc(Cl)cn1)C1CCCC1 ZINC000194544816 644325732 /nfs/dbraw/zinc/32/57/32/644325732.db2.gz JXFFZULJQQJKLQ-UHFFFAOYSA-N 0 1 213.712 2.368 20 0 BEADMN CC(C)CC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000083403829 644404409 /nfs/dbraw/zinc/40/44/09/644404409.db2.gz CBHPZYGIOFKUOR-WDEREUQCSA-N 0 1 213.321 2.360 20 0 BEADMN C/C=C/C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000085999921 644454909 /nfs/dbraw/zinc/45/49/09/644454909.db2.gz KQBORUPJQKSYIG-QSLRECBCSA-N 0 1 248.326 2.109 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(O)c1 ZINC000086752331 644471007 /nfs/dbraw/zinc/47/10/07/644471007.db2.gz GABRCKWBNXUAAW-SNVBAGLBSA-N 0 1 237.299 2.077 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000086775043 644471406 /nfs/dbraw/zinc/47/14/06/644471406.db2.gz GKSYQUDLZVXLQK-GXSJLCMTSA-N 0 1 237.299 2.310 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000086775043 644471410 /nfs/dbraw/zinc/47/14/10/644471410.db2.gz GKSYQUDLZVXLQK-GXSJLCMTSA-N 0 1 237.299 2.310 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(O)c1 ZINC000086752332 644471536 /nfs/dbraw/zinc/47/15/36/644471536.db2.gz GABRCKWBNXUAAW-JTQLQIEISA-N 0 1 237.299 2.077 20 0 BEADMN Cc1nnc(CNCCc2ccccc2)s1 ZINC000199464461 644478179 /nfs/dbraw/zinc/47/81/79/644478179.db2.gz AKXWGTWMOOABNX-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CC1CCC(CNC(=O)CN2CCCC2)CC1 ZINC000199968706 644503829 /nfs/dbraw/zinc/50/38/29/644503829.db2.gz KGJCDYABCPDOKL-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)n1ncnc1CN[C@@H](C)Cc1ccco1 ZINC000088589914 644524811 /nfs/dbraw/zinc/52/48/11/644524811.db2.gz UYTOUGFVKADYKO-NSHDSACASA-N 0 1 248.330 2.173 20 0 BEADMN CCC[C@@H](Nc1cc(CC)[nH+]c(C)n1)C(=O)[O-] ZINC000088759757 644527312 /nfs/dbraw/zinc/52/73/12/644527312.db2.gz GEJDMIZTBQCIJD-SNVBAGLBSA-N 0 1 237.303 2.013 20 0 BEADMN CCn1ncc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000839043880 644554493 /nfs/dbraw/zinc/55/44/93/644554493.db2.gz VGFORSXWPHDPNF-UTUOFQBUSA-N 0 1 236.363 2.164 20 0 BEADMN CCCCCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246483516 644590288 /nfs/dbraw/zinc/59/02/88/644590288.db2.gz GTMMJHFKWHYBSQ-QWHCGFSZSA-N 0 1 238.375 2.310 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C[C@H](C)CC ZINC000246532987 644593388 /nfs/dbraw/zinc/59/33/88/644593388.db2.gz CGWATDADXUCPOY-GHMZBOCLSA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000246702216 644602521 /nfs/dbraw/zinc/60/25/21/644602521.db2.gz KTLNCGUYSMFDFQ-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000246817022 644607572 /nfs/dbraw/zinc/60/75/72/644607572.db2.gz BBBLWNNXYMMVOR-NEPJUHHUSA-N 0 1 249.420 2.320 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)C[C@@H]1c1ccccc1 ZINC000247383613 644636388 /nfs/dbraw/zinc/63/63/88/644636388.db2.gz FUQVHIDJHGDXQO-TZMCWYRMSA-N 0 1 244.338 2.402 20 0 BEADMN CC[C@]1(C)CCCN(CN2C[C@@H](C)CC2=O)C1 ZINC000247473563 644642199 /nfs/dbraw/zinc/64/21/99/644642199.db2.gz SRFFDJOJTMCTCU-GXTWGEPZSA-N 0 1 238.375 2.324 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@H]1CC[C@@H](C)O1 ZINC000248967863 644706921 /nfs/dbraw/zinc/70/69/21/644706921.db2.gz RFCQSHHVQKDAMM-BXKDBHETSA-N 0 1 238.331 2.291 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251273056 644800665 /nfs/dbraw/zinc/80/06/65/644800665.db2.gz FLPGLAMJPZUQGY-WDEREUQCSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@H](CNc1ncnc2[nH]cnc21)C(C)(C)C ZINC000096609831 644827125 /nfs/dbraw/zinc/82/71/25/644827125.db2.gz CLMPTLGIGQXREO-MRVPVSSYSA-N 0 1 233.319 2.447 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+](CC)C[C@@H](C)CC ZINC000251920255 644831127 /nfs/dbraw/zinc/83/11/27/644831127.db2.gz QBQJUZWVBKXZKA-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN CCN(CN1C[C@@](C)(CC)CC1=O)C1CC1 ZINC000808136584 644873608 /nfs/dbraw/zinc/87/36/08/644873608.db2.gz GJPSQXYOORCTEU-ZDUSSCGKSA-N 0 1 224.348 2.077 20 0 BEADMN CC(C)CN(CN1CC(C)(C)CC1=O)C1CC1 ZINC000808137748 644873682 /nfs/dbraw/zinc/87/36/82/644873682.db2.gz ANQJHDDWNSMTBV-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000808134502 644874537 /nfs/dbraw/zinc/87/45/37/644874537.db2.gz WDCWXNJQERUZBI-TZMCWYRMSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN(C)CCC2CC2)C1 ZINC000808171687 644876468 /nfs/dbraw/zinc/87/64/68/644876468.db2.gz KPNXMDGRQKFCGT-AWEZNQCLSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC(C)(C)C2)s1 ZINC000809574329 644894444 /nfs/dbraw/zinc/89/44/44/644894444.db2.gz JHQITMUQDMAZLT-VIFPVBQESA-N 0 1 240.372 2.428 20 0 BEADMN C1=CO[C@H](CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000816666356 644965565 /nfs/dbraw/zinc/96/55/65/644965565.db2.gz LGVFAUSNKXHVDL-KKUMJFAQSA-N 0 1 249.354 2.323 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)C[C@@H](CC)O1 ZINC000817280781 644969677 /nfs/dbraw/zinc/96/96/77/644969677.db2.gz LULQSTPXAQCYDS-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN CCSCCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000826889512 645068698 /nfs/dbraw/zinc/06/86/98/645068698.db2.gz VZSMZKXHRNWTSF-NXEZZACHSA-N 0 1 240.376 2.017 20 0 BEADMN CC(C(=O)N[C@@H]1CCCc2cn[nH]c21)=C1CCC1 ZINC000827238683 645074955 /nfs/dbraw/zinc/07/49/55/645074955.db2.gz VTGSEDQUIAVTLW-GFCCVEGCSA-N 0 1 245.326 2.404 20 0 BEADMN CCN(CC[S@@](C)=O)Cc1ccc(C)cc1 ZINC000827530341 645080980 /nfs/dbraw/zinc/08/09/80/645080980.db2.gz BBIKOHBAGRVYIX-MRXNPFEDSA-N 0 1 239.384 2.195 20 0 BEADMN CC[C@H](N[C@@H]1CCCc2oc(C)nc21)[C@@H](C)O ZINC000926524448 645255628 /nfs/dbraw/zinc/25/56/28/645255628.db2.gz DLTDAWXKAPCOID-DVVUODLYSA-N 0 1 238.331 2.109 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1C[C@H]1C(C)C ZINC000926540224 645266431 /nfs/dbraw/zinc/26/64/31/645266431.db2.gz HWPGGOGNVPQVML-MIMYLULJSA-N 0 1 223.320 2.321 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]1C1CC1)c1ncco1 ZINC000926551555 645272811 /nfs/dbraw/zinc/27/28/11/645272811.db2.gz RSIQVCVVQCJGHN-LSJOCFKGSA-N 0 1 206.289 2.371 20 0 BEADMN Cc1cc(C)c(CN[C@H](C)c2ccnnc2)cn1 ZINC000926552405 645274074 /nfs/dbraw/zinc/27/40/74/645274074.db2.gz VFOIXNDOMVVXRG-GFCCVEGCSA-N 0 1 242.326 2.339 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@H]2CC2(C)C)n1 ZINC000926580112 645300135 /nfs/dbraw/zinc/30/01/35/645300135.db2.gz LONCKSWVPHKHEA-WPRPVWTQSA-N 0 1 222.336 2.056 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cn(C)cn1)CC(C)C ZINC000926598101 645307357 /nfs/dbraw/zinc/30/73/57/645307357.db2.gz GLWPPVQWBGKZHI-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cn(C)cn1)CC(C)C ZINC000926598102 645307713 /nfs/dbraw/zinc/30/77/13/645307713.db2.gz GLWPPVQWBGKZHI-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN COCC1(CCN[C@H](C)c2ncco2)CC1 ZINC000926630147 645323463 /nfs/dbraw/zinc/32/34/63/645323463.db2.gz SCZCGDVEWBORDU-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C2CC2)[C@@H](CC)CO1 ZINC000844384222 645324159 /nfs/dbraw/zinc/32/41/59/645324159.db2.gz DHNBEYWYVFQFMV-QWHCGFSZSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1oncc1CN1CCC[C@H](OC(C)C)C1 ZINC000844381856 645324501 /nfs/dbraw/zinc/32/45/01/645324501.db2.gz NOOLFLWREATJER-ZDUSSCGKSA-N 0 1 238.331 2.372 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000926639393 645326869 /nfs/dbraw/zinc/32/68/69/645326869.db2.gz RLJOYXWZNTZFAZ-GRYCIOLGSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000926639396 645328390 /nfs/dbraw/zinc/32/83/90/645328390.db2.gz RLJOYXWZNTZFAZ-WOPDTQHZSA-N 0 1 249.358 2.047 20 0 BEADMN Cn1nccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000844442736 645331662 /nfs/dbraw/zinc/33/16/62/645331662.db2.gz ZEJPZNFKRNKXEL-NSHDSACASA-N 0 1 241.285 2.041 20 0 BEADMN C[C@H]1C[C@@H](NC2(C3CCC3)CC2)c2ncnn21 ZINC000926650294 645335930 /nfs/dbraw/zinc/33/59/30/645335930.db2.gz USVDWXZIYJORLS-GXSJLCMTSA-N 0 1 232.331 2.206 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844693053 645344158 /nfs/dbraw/zinc/34/41/58/645344158.db2.gz RNLXHVQXALLDJB-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@H](C)CN(C)CN1C(=O)CC12CCCC2 ZINC000844693053 645344169 /nfs/dbraw/zinc/34/41/69/645344169.db2.gz RNLXHVQXALLDJB-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN C[C@H]1[C@H](C)OC[C@H]1NCc1noc2ccccc21 ZINC000926672637 645347884 /nfs/dbraw/zinc/34/78/84/645347884.db2.gz HJDGMUNROIDYKT-OUJBWJOFSA-N 0 1 246.310 2.341 20 0 BEADMN COC1CC(CCN[C@H](C)c2ncco2)C1 ZINC000926675924 645349881 /nfs/dbraw/zinc/34/98/81/645349881.db2.gz JJTVKSUFPHSPRD-KPPDAEKUSA-N 0 1 224.304 2.140 20 0 BEADMN CC[C@@H](C)CCN[C@@H](C)c1cc(CO)on1 ZINC000926682337 645353425 /nfs/dbraw/zinc/35/34/25/645353425.db2.gz BGCIFLBDIJJHGH-ZJUUUORDSA-N 0 1 226.320 2.254 20 0 BEADMN COc1cc([C@@H](C)N[C@@H]2C=CCC2)on1 ZINC000926690177 645360558 /nfs/dbraw/zinc/36/05/58/645360558.db2.gz NOPWYJVNEJGBBK-RKDXNWHRSA-N 0 1 208.261 2.052 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@]1(C)CC1(F)F ZINC000926707062 645371807 /nfs/dbraw/zinc/37/18/07/645371807.db2.gz ZUKORPDPOWXRHB-RCOVLWMOSA-N 0 1 231.246 2.074 20 0 BEADMN Cc1nonc1[C@H](C)N[C@]1(C)CC1(C)C ZINC000926722112 645384308 /nfs/dbraw/zinc/38/43/08/645384308.db2.gz RTCLYRJCVXKTPJ-WRWORJQWSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nonc1[C@H](C)NCCCc1ccco1 ZINC000926725600 645387758 /nfs/dbraw/zinc/38/77/58/645387758.db2.gz AKEBRPJQRAUUPW-VIFPVBQESA-N 0 1 235.287 2.254 20 0 BEADMN C[C@@H](NCc1cocn1)[C@](C)(O)c1ccccc1 ZINC000846045727 645390834 /nfs/dbraw/zinc/39/08/34/645390834.db2.gz VWIRZWODNBKLIU-RISCZKNCSA-N 0 1 246.310 2.060 20 0 BEADMN CON1CCN(CCCC2CCCC2)CC1 ZINC000846979368 645411873 /nfs/dbraw/zinc/41/18/73/645411873.db2.gz HEUCHARIUPBZES-UHFFFAOYSA-N 0 1 226.364 2.136 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H]1CCCC12CC2 ZINC000926778905 645425610 /nfs/dbraw/zinc/42/56/10/645425610.db2.gz SWZSQVOYQSNCHC-SCZZXKLOSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@H]1C[C@@H](NCCCCC2CC2)c2ncnn21 ZINC000926795783 645438007 /nfs/dbraw/zinc/43/80/07/645438007.db2.gz MAUJKBDUPAJXLS-CMPLNLGQSA-N 0 1 234.347 2.454 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@]1(C)CC1(C)C ZINC000926840659 645452076 /nfs/dbraw/zinc/45/20/76/645452076.db2.gz FAEAWGIOWSHQIJ-UFBFGSQYSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@]1(C)CC1(C)C ZINC000926840654 645452106 /nfs/dbraw/zinc/45/21/06/645452106.db2.gz FAEAWGIOWSHQIJ-PRHODGIISA-N 0 1 223.320 2.465 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cnn(C)n1 ZINC000926856004 645457991 /nfs/dbraw/zinc/45/79/91/645457991.db2.gz STDUQDARXSYIDY-NOOOWODRSA-N 0 1 234.347 2.044 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000926885760 645473204 /nfs/dbraw/zinc/47/32/04/645473204.db2.gz BOEKTPZWTREDGF-ZELAVPCNSA-N 0 1 221.304 2.073 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCCO1)c1ccn(C)n1 ZINC000927021852 645520373 /nfs/dbraw/zinc/52/03/73/645520373.db2.gz PPTVQYACTLBZLP-WCQYABFASA-N 0 1 237.347 2.030 20 0 BEADMN COC[C@@H](CN[C@H](C)c1ncco1)C(C)C ZINC000927097316 645549425 /nfs/dbraw/zinc/54/94/25/645549425.db2.gz ULLGXQPFIDNOTQ-GHMZBOCLSA-N 0 1 226.320 2.244 20 0 BEADMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1cn(C)cn1 ZINC000927158823 645578591 /nfs/dbraw/zinc/57/85/91/645578591.db2.gz KHAMWXXEKJZRBY-YPMHNXCESA-N 0 1 249.358 2.172 20 0 BEADMN CC(C)=C(C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927704813 645642610 /nfs/dbraw/zinc/64/26/10/645642610.db2.gz PEIAUUGNIKQGNU-UHFFFAOYSA-N 0 1 247.342 2.120 20 0 BEADMN CCCCCC(=O)NCc1cc(N(C)C)ccn1 ZINC000927707444 645644244 /nfs/dbraw/zinc/64/42/44/645644244.db2.gz MOTVGXRSSRUZFS-UHFFFAOYSA-N 0 1 249.358 2.344 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCNC[C@@H]1CCC ZINC000876796425 645787160 /nfs/dbraw/zinc/78/71/60/645787160.db2.gz DROUMIUKZXRHDX-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN O[C@H]1CC[C@H](CNCc2nc(Cl)cs2)C1 ZINC000877469670 645797048 /nfs/dbraw/zinc/79/70/48/645797048.db2.gz XRLNTKXKINTVHL-YUMQZZPRSA-N 0 1 246.763 2.047 20 0 BEADMN CCCC(CCC)C(=O)NC[C@H]1CCN1C ZINC000928559172 645815396 /nfs/dbraw/zinc/81/53/96/645815396.db2.gz JCFPLGPOZJMAOH-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CN1CC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC000928560372 645820679 /nfs/dbraw/zinc/82/06/79/645820679.db2.gz UOKSJUZJKUDLGT-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCC[C@H](C)CC(=O)NC[C@@H]1CCN1C ZINC000928563433 645822435 /nfs/dbraw/zinc/82/24/35/645822435.db2.gz LWGMUMHXCJICMC-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@@H](CC)CC(=O)NC[C@H]1CCN1C ZINC000928563997 645823076 /nfs/dbraw/zinc/82/30/76/645823076.db2.gz SMKHVYCKSHUUQR-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN O=C([O-])CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538050 645836601 /nfs/dbraw/zinc/83/66/01/645836601.db2.gz ISFOMUDCOSDPAC-GWCFXTLKSA-N 0 1 231.295 2.395 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(C(C)C)nc1)N(C)C ZINC000928620773 645849229 /nfs/dbraw/zinc/84/92/29/645849229.db2.gz JPOWJPRJCIRWCD-ZDUSSCGKSA-N 0 1 249.358 2.484 20 0 BEADMN C[C@@H](NCC[C@@H]1CCCCO1)c1ncco1 ZINC000886538083 645887664 /nfs/dbraw/zinc/88/76/64/645887664.db2.gz BGJOIDAQJDCLHI-MNOVXSKESA-N 0 1 224.304 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+]C2(C3CC3)CCC2)n1 ZINC000887148842 645894037 /nfs/dbraw/zinc/89/40/37/645894037.db2.gz ZCAJFHHHKROWGK-JTQLQIEISA-N 0 1 247.342 2.474 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1cn(CC)nn1 ZINC000887547520 645897870 /nfs/dbraw/zinc/89/78/70/645897870.db2.gz MPLBLTRERYHUDJ-CMPLNLGQSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1cn(CC)nn1 ZINC000887547523 645898242 /nfs/dbraw/zinc/89/82/42/645898242.db2.gz MPLBLTRERYHUDJ-ZYHUDNBSSA-N 0 1 222.336 2.061 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1cn(CC)nn1 ZINC000887556303 645899542 /nfs/dbraw/zinc/89/95/42/645899542.db2.gz CGAVXLVBYYDHQS-CYBMUJFWSA-N 0 1 236.363 2.453 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@H](C)c1nonc1C ZINC000925484343 645922027 /nfs/dbraw/zinc/92/20/27/645922027.db2.gz DZXUZWNTXORTEH-SZEHBUNVSA-N 0 1 209.293 2.217 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@@H](C)c1nonc1C ZINC000925484340 645921986 /nfs/dbraw/zinc/92/19/86/645921986.db2.gz DZXUZWNTXORTEH-FXBDTBDDSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccnnc1 ZINC000924560415 646067748 /nfs/dbraw/zinc/06/77/48/646067748.db2.gz BPAYANGSLKADMM-WDEREUQCSA-N 0 1 228.299 2.283 20 0 BEADMN Cc1ccccc1CCN[C@@H](C)c1cnn(C)n1 ZINC000924560846 646068356 /nfs/dbraw/zinc/06/83/56/646068356.db2.gz PMKMFOGTIYMPIA-LBPRGKRZSA-N 0 1 244.342 2.017 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cnnn2C)cc1F ZINC000924591408 646074665 /nfs/dbraw/zinc/07/46/65/646074665.db2.gz WGCQXROHXSOOJW-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnnn2C)ccc1F ZINC000924595062 646075301 /nfs/dbraw/zinc/07/53/01/646075301.db2.gz SGZCKASFHVTUIJ-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H]1C[C@H](C)n2ncnc21 ZINC000924608597 646076849 /nfs/dbraw/zinc/07/68/49/646076849.db2.gz GYIHUXDZPDAOQI-SCVCMEIPSA-N 0 1 246.314 2.098 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000924608595 646076984 /nfs/dbraw/zinc/07/69/84/646076984.db2.gz GYIHUXDZPDAOQI-JFGNBEQYSA-N 0 1 246.314 2.098 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCCCO2)c(C)nn1 ZINC000929330747 646082454 /nfs/dbraw/zinc/08/24/54/646082454.db2.gz NWDLMGMEJXGKPD-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN C[C@@H](NCc1ccsc1)c1ccnnc1 ZINC000924665206 646089154 /nfs/dbraw/zinc/08/91/54/646089154.db2.gz JSBWBMMMFQAJDZ-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)OC(C)(C)C1 ZINC000929347214 646090959 /nfs/dbraw/zinc/09/09/59/646090959.db2.gz DQPMVIXXMXBMMF-DSDFTUOUSA-N 0 1 227.348 2.078 20 0 BEADMN C[C@H](c1ccco1)N(C)CCO[C@@H]1CCOC1 ZINC000929369252 646100648 /nfs/dbraw/zinc/10/06/48/646100648.db2.gz GEWPYYOSDZBVGR-VXGBXAGGSA-N 0 1 239.315 2.078 20 0 BEADMN C[C@H](c1ccco1)N(C)CCOC1CC1 ZINC000929371521 646101142 /nfs/dbraw/zinc/10/11/42/646101142.db2.gz ZMOSVNDDOHQXGV-SNVBAGLBSA-N 0 1 209.289 2.451 20 0 BEADMN Cc1cn(C)nc1CN(C)CC1CCCC1 ZINC000929413626 646112675 /nfs/dbraw/zinc/11/26/75/646112675.db2.gz ZWHPCJJZRPPILG-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN O=C(c1ccc(CN2CCCCC2)o1)N1CCC1 ZINC000929455405 646123760 /nfs/dbraw/zinc/12/37/60/646123760.db2.gz HSDGCQMLNQNYGJ-UHFFFAOYSA-N 0 1 248.326 2.111 20 0 BEADMN CC(F)(F)CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723624934 711526427 /nfs/dbraw/zinc/52/64/27/711526427.db2.gz MVAPNNMLBFVMMQ-HBNTYKKESA-N 0 1 233.302 2.436 20 0 BEADMN c1nnc(CN2CCC[C@@H]2C2CCC2)s1 ZINC000929504555 646158006 /nfs/dbraw/zinc/15/80/06/646158006.db2.gz QHCLIYBEXWJIBG-SNVBAGLBSA-N 0 1 223.345 2.303 20 0 BEADMN COC/C(C)=C/C[N@H+]1CCS[C@H](C)C1 ZINC000929517578 646168933 /nfs/dbraw/zinc/16/89/33/646168933.db2.gz IFXWQIREGTUUGA-LLMHMKPQSA-N 0 1 215.362 2.016 20 0 BEADMN CC[C@H]1COC[C@@H]1NCc1cc(C(C)C)no1 ZINC000925066053 646173785 /nfs/dbraw/zinc/17/37/85/646173785.db2.gz ATDKWVHPRIIZMK-GWCFXTLKSA-N 0 1 238.331 2.313 20 0 BEADMN CCCC[C@@H](COC)N[C@H](C)c1cn(C)cn1 ZINC000925096793 646182444 /nfs/dbraw/zinc/18/24/44/646182444.db2.gz PRLDTBWBYLKDBR-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN COC(C)(C)C[C@@H](C)N[C@H](C)c1nonc1C ZINC000925153362 646192127 /nfs/dbraw/zinc/19/21/27/646192127.db2.gz XRFOFOMZJILRGZ-RKDXNWHRSA-N 0 1 241.335 2.232 20 0 BEADMN COC(C)(C)C[C@H](C)N[C@H](C)c1nonc1C ZINC000925153359 646192553 /nfs/dbraw/zinc/19/25/53/646192553.db2.gz XRFOFOMZJILRGZ-DTWKUNHWSA-N 0 1 241.335 2.232 20 0 BEADMN COC(C)(C)C[C@H](C)N[C@@H](C)c1nonc1C ZINC000925153360 646193696 /nfs/dbraw/zinc/19/36/96/646193696.db2.gz XRFOFOMZJILRGZ-IUCAKERBSA-N 0 1 241.335 2.232 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2ccnnc2)s1 ZINC000925149407 646195406 /nfs/dbraw/zinc/19/54/06/646195406.db2.gz RTMFOKFNHOWBCQ-QMMMGPOBSA-N 0 1 248.355 2.401 20 0 BEADMN C[C@@H]1C[C@H](CN(C)Cc2cc[nH]n2)C[C@H](C)O1 ZINC000929623390 646208100 /nfs/dbraw/zinc/20/81/00/646208100.db2.gz AWSULTUOMQHQNS-GDNZZTSVSA-N 0 1 237.347 2.045 20 0 BEADMN CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)c1ncco1 ZINC000925219656 646211297 /nfs/dbraw/zinc/21/12/97/646211297.db2.gz FGXMAWNRPQJZIF-QJPTWQEYSA-N 0 1 238.331 2.386 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)Cc1ccncc1 ZINC000925228322 646214519 /nfs/dbraw/zinc/21/45/19/646214519.db2.gz WHQFEGDTQHVJKE-ZJUUUORDSA-N 0 1 246.314 2.055 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@H]1CC(C)C ZINC000929643606 646217050 /nfs/dbraw/zinc/21/70/50/646217050.db2.gz BEVXGYHHHUSRNG-BRRGFWCPSA-N 0 1 241.375 2.326 20 0 BEADMN CC[C@H](CO)N1CCc2c(Cl)cccc2C1 ZINC000929694652 646251133 /nfs/dbraw/zinc/25/11/33/646251133.db2.gz XVWVSZCXFDBZSM-LLVKDONJSA-N 0 1 239.746 2.469 20 0 BEADMN CC(F)(F)CCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000929759869 646292283 /nfs/dbraw/zinc/29/22/83/646292283.db2.gz SFWRBHAANQCCHS-AOOOYVTPSA-N 0 1 219.275 2.285 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cc(CO)on1 ZINC000925487450 646296401 /nfs/dbraw/zinc/29/64/01/646296401.db2.gz YOZFONCTQIJGLY-SBMIAAHKSA-N 0 1 224.304 2.006 20 0 BEADMN C[C@H](N[C@H](CO)C1CCCCC1)c1ncco1 ZINC000925492778 646298785 /nfs/dbraw/zinc/29/87/85/646298785.db2.gz NFMRHSXINAAIKI-CMPLNLGQSA-N 0 1 238.331 2.266 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCC2(C)CC2)n1 ZINC000925487779 646299714 /nfs/dbraw/zinc/29/97/14/646299714.db2.gz FMDCUTDRNREQNP-SECBINFHSA-N 0 1 222.336 2.057 20 0 BEADMN CC(C)C1(CN[C@@H](C)c2cc(CO)on2)CC1 ZINC000925510222 646307439 /nfs/dbraw/zinc/30/74/39/646307439.db2.gz URMNOOQEXGLXEK-JTQLQIEISA-N 0 1 238.331 2.254 20 0 BEADMN CC(C)CC1(CN[C@H](C)c2cnn(C)n2)CC1 ZINC000925516519 646311148 /nfs/dbraw/zinc/31/11/48/646311148.db2.gz DHYCLFVCNSETQP-LLVKDONJSA-N 0 1 236.363 2.292 20 0 BEADMN C[C@H](NCCC1CCC1)c1cc(CO)on1 ZINC000925521188 646315699 /nfs/dbraw/zinc/31/56/99/646315699.db2.gz ZEDOFDRCDOJEJX-VIFPVBQESA-N 0 1 224.304 2.008 20 0 BEADMN CCCC1(CN[C@H](C)c2cnn(C)n2)CC1 ZINC000925534134 646319913 /nfs/dbraw/zinc/31/99/13/646319913.db2.gz SUBIILMEFRNOSV-SNVBAGLBSA-N 0 1 222.336 2.046 20 0 BEADMN CCN(C/C=C(/C)COC)Cc1ccccn1 ZINC000929825877 646327650 /nfs/dbraw/zinc/32/76/50/646327650.db2.gz RNKCXYGQKQIHQC-JYRVWZFOSA-N 0 1 234.343 2.496 20 0 BEADMN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cnn(C)n1 ZINC000925561918 646336380 /nfs/dbraw/zinc/33/63/80/646336380.db2.gz MKQSZBMMWCUXSW-RKDXNWHRSA-N 0 1 244.289 2.044 20 0 BEADMN COC(C)(C)CN(C)[C@H](C)c1snnc1C ZINC000929831807 646348625 /nfs/dbraw/zinc/34/86/25/646348625.db2.gz QKTQFCBVCUWKHV-SECBINFHSA-N 0 1 243.376 2.264 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)[C@H](C)C(=O)OC(C)C ZINC000929836054 646350177 /nfs/dbraw/zinc/35/01/77/646350177.db2.gz PIFNFLFJSKQWMC-UTUOFQBUSA-N 0 1 227.348 2.304 20 0 BEADMN CCC(CC)(CO)CN[C@@H](C)c1ncco1 ZINC000925619927 646368202 /nfs/dbraw/zinc/36/82/02/646368202.db2.gz CDVLCJZODHJDJH-JTQLQIEISA-N 0 1 226.320 2.124 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000929915500 646372267 /nfs/dbraw/zinc/37/22/67/646372267.db2.gz MQYHGMKAJFTAQT-WCFLWFBJSA-N 0 1 247.342 2.161 20 0 BEADMN Cc1csc(C(C)(C)NCCOC2CC2)n1 ZINC000929989324 646388897 /nfs/dbraw/zinc/38/88/97/646388897.db2.gz VUPWJXSIZRLDRZ-UHFFFAOYSA-N 0 1 240.372 2.455 20 0 BEADMN Fc1ccc2c(c1)CN(CCOC1CC1)CC2 ZINC000930044498 646409151 /nfs/dbraw/zinc/40/91/51/646409151.db2.gz CJULIJMMWFSJDM-UHFFFAOYSA-N 0 1 235.302 2.363 20 0 BEADMN CCc1ncc(CN(C)[C@@H](CO)C(C)(C)C)o1 ZINC000930057125 646413797 /nfs/dbraw/zinc/41/37/97/646413797.db2.gz PXVLPRKMLYJZMZ-NSHDSACASA-N 0 1 240.347 2.076 20 0 BEADMN CO[C@@H]1CCC[C@@H]1CN[C@H](C)c1ncco1 ZINC000925691375 646415796 /nfs/dbraw/zinc/41/57/96/646415796.db2.gz MBXWWXFDQSXJLW-GMTAPVOTSA-N 0 1 224.304 2.140 20 0 BEADMN CCc1onc(C)c1CN1CCCOC[C@@H]1C ZINC000930067648 646418270 /nfs/dbraw/zinc/41/82/70/646418270.db2.gz NFCJIIKPXOKKJG-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN C[C@@H](CO)N(C)Cc1cnc(-c2ccccc2)o1 ZINC000930086955 646428828 /nfs/dbraw/zinc/42/88/28/646428828.db2.gz QBGOAHQJWPWVLS-NSHDSACASA-N 0 1 246.310 2.154 20 0 BEADMN COC/C(C)=C\CN(C)Cc1cccnc1 ZINC000930090678 646429611 /nfs/dbraw/zinc/42/96/11/646429611.db2.gz VRFLZOHZAOAOST-SDQBBNPISA-N 0 1 220.316 2.106 20 0 BEADMN FC(F)(F)C1=CCN(CCOC2CC2)CC1 ZINC000930098906 646436568 /nfs/dbraw/zinc/43/65/68/646436568.db2.gz KSYGSRVWWRAPDA-UHFFFAOYSA-N 0 1 235.249 2.360 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CC[C@H](C(F)F)C1 ZINC000930127805 646449811 /nfs/dbraw/zinc/44/98/11/646449811.db2.gz RPWNDELTTHVUCL-SFYZADRCSA-N 0 1 247.314 2.495 20 0 BEADMN COC/C(C)=C/CN1CCOCC12CCCC2 ZINC000930133040 646455452 /nfs/dbraw/zinc/45/54/52/646455452.db2.gz DVYLEZSXZZZMCW-WLRTZDKTSA-N 0 1 239.359 2.224 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@@](C)(O)C1 ZINC000930147629 646460343 /nfs/dbraw/zinc/46/03/43/646460343.db2.gz VPJHEBUBYNMSSY-GXFFZTMASA-N 0 1 238.306 2.129 20 0 BEADMN C[C@@H](N[C@@H](C)c1cc(CO)on1)C1(C)CC1 ZINC000925775276 646474591 /nfs/dbraw/zinc/47/45/91/646474591.db2.gz FHBIYQFURZHPDX-DTWKUNHWSA-N 0 1 224.304 2.006 20 0 BEADMN COc1cc([C@H](C)NCCOC(C)(C)C)on1 ZINC000925780733 646477600 /nfs/dbraw/zinc/47/76/00/646477600.db2.gz VJCHYUMPVDQJQC-VIFPVBQESA-N 0 1 242.319 2.149 20 0 BEADMN CCOCCN(C)[C@H](C)c1ccc(F)nc1 ZINC000930175367 646478178 /nfs/dbraw/zinc/47/81/78/646478178.db2.gz KADWAHNGZSWMOH-SNVBAGLBSA-N 0 1 226.295 2.250 20 0 BEADMN CCOCCN(C)Cc1cc(C)cc(C)n1 ZINC000930177666 646480714 /nfs/dbraw/zinc/48/07/14/646480714.db2.gz OOTVKKUUCWFVHL-UHFFFAOYSA-N 0 1 222.332 2.167 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CCC1(C)CC1 ZINC000930189693 646484218 /nfs/dbraw/zinc/48/42/18/646484218.db2.gz MTLYSWAUBGGRJY-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCC[C@@H](N[C@H]1CNOC1)c1ccsc1 ZINC000925868593 646519638 /nfs/dbraw/zinc/51/96/38/646519638.db2.gz DTFBNJGQXLVSLH-WDEREUQCSA-N 0 1 226.345 2.082 20 0 BEADMN CC[C@H](N[C@H]1CNOC1)c1ccc(Cl)s1 ZINC000925869179 646520458 /nfs/dbraw/zinc/52/04/58/646520458.db2.gz XAKKNKLHJBWRKV-YUMQZZPRSA-N 0 1 246.763 2.346 20 0 BEADMN CC(C)C[C@@H](N[C@H]1CNOC1)c1cccs1 ZINC000925871343 646521693 /nfs/dbraw/zinc/52/16/93/646521693.db2.gz UFTGCFBSIZVNAN-WDEREUQCSA-N 0 1 240.372 2.328 20 0 BEADMN C[C@H]1CC[C@@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870009 646522456 /nfs/dbraw/zinc/52/24/56/646522456.db2.gz NZCIQFYMUROHJB-COPLHBTASA-N 0 1 232.327 2.118 20 0 BEADMN COc1cc([C@@H](C)NC[C@@H]2CCC=CO2)on1 ZINC000926232393 646601378 /nfs/dbraw/zinc/60/13/78/646601378.db2.gz SSLRIMDDLGXQAU-ZJUUUORDSA-N 0 1 238.287 2.027 20 0 BEADMN COc1cc([C@H](C)NC[C@H]2CCC=CO2)on1 ZINC000926232392 646601772 /nfs/dbraw/zinc/60/17/72/646601772.db2.gz SSLRIMDDLGXQAU-VHSXEESVSA-N 0 1 238.287 2.027 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000926253803 646606033 /nfs/dbraw/zinc/60/60/33/646606033.db2.gz VVWTVAVBVIYIRZ-IQJOONFLSA-N 0 1 238.331 2.373 20 0 BEADMN COc1cc([C@H](C)NCC=C(C)C)on1 ZINC000926264123 646609093 /nfs/dbraw/zinc/60/90/93/646609093.db2.gz CCKBZKDCHLEDTG-VIFPVBQESA-N 0 1 210.277 2.300 20 0 BEADMN CC(C)[C@H](N[C@@H](C)c1ncco1)C(C)(C)O ZINC000926266240 646609272 /nfs/dbraw/zinc/60/92/72/646609272.db2.gz OMGMGWWIEZPPOB-UWVGGRQHSA-N 0 1 226.320 2.121 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@H]2CCC2(C)C)n1 ZINC000926420740 646633851 /nfs/dbraw/zinc/63/38/51/646633851.db2.gz JTRLZOYQYNMBLF-ONGXEEELSA-N 0 1 236.363 2.446 20 0 BEADMN C[C@H]1C[C@@H](NCCC2(F)CCC2)c2ncnn21 ZINC000926423729 646635500 /nfs/dbraw/zinc/63/55/00/646635500.db2.gz KMFIICBHRQHJOE-VHSXEESVSA-N 0 1 238.310 2.156 20 0 BEADMN C[C@H](NC1CC(C(C)(C)C)C1)c1cnn(C)n1 ZINC000926481019 646654979 /nfs/dbraw/zinc/65/49/79/646654979.db2.gz FPNYWHBELBUGKJ-WHXUTIOJSA-N 0 1 236.363 2.290 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCC(C)(F)F)n1 ZINC000926494415 646662874 /nfs/dbraw/zinc/66/28/74/646662874.db2.gz GAVKGYYJAXYCAC-MRVPVSSYSA-N 0 1 246.305 2.302 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1cc(OC)no1)OC ZINC000926503164 646664209 /nfs/dbraw/zinc/66/42/09/646664209.db2.gz UITHDWJHBPZXJY-VHSXEESVSA-N 0 1 242.319 2.149 20 0 BEADMN CC(C)c1nc(CN[C@H](C)C2(Cl)CC2)n[nH]1 ZINC000926505207 646665502 /nfs/dbraw/zinc/66/55/02/646665502.db2.gz DNWCELHRZQERBT-MRVPVSSYSA-N 0 1 242.754 2.178 20 0 BEADMN CC[C@@H](NCc1ncc(C)o1)[C@@H]1CCCOC1 ZINC000724006051 711554621 /nfs/dbraw/zinc/55/46/21/711554621.db2.gz JEYLJOCYUUSLDL-VXGBXAGGSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@H]2C[C@]21C ZINC000309621643 711655131 /nfs/dbraw/zinc/65/51/31/711655131.db2.gz HPAXLEATCMOUOR-MVWJERBFSA-N 0 1 221.304 2.046 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N(CC)CCSC ZINC000930824157 711704341 /nfs/dbraw/zinc/70/43/41/711704341.db2.gz AORCAPXGASSXEQ-MNOVXSKESA-N 0 1 247.404 2.259 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C[C@H]1CCSC1 ZINC000257645979 711720856 /nfs/dbraw/zinc/72/08/56/711720856.db2.gz DIMWQQRKWDHODH-GHMZBOCLSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccs2)[C@H](C(=O)[O-])C1 ZINC000167604818 711830190 /nfs/dbraw/zinc/83/01/90/711830190.db2.gz WMMJAPCYSNLRDG-ONGXEEELSA-N 0 1 239.340 2.433 20 0 BEADMN O=C(CCC1CCCCC1)Nc1c[nH]nn1 ZINC000170208630 711835994 /nfs/dbraw/zinc/83/59/94/711835994.db2.gz UNZGTILZIVQNPL-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN CCCCOC(=O)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382960143 711864642 /nfs/dbraw/zinc/86/46/42/711864642.db2.gz ODZKLCTYRUGSFE-BETUJISGSA-N 0 1 237.343 2.228 20 0 BEADMN C/C(=C/C[N@H+]1CCCC(F)(F)CC1)C(=O)[O-] ZINC000702782521 711871569 /nfs/dbraw/zinc/87/15/69/711871569.db2.gz AEAIRDAHOFBQCL-OQFOIZHKSA-N 0 1 233.258 2.139 20 0 BEADMN Cc1cn[nH]c1CSC1=N[C@@H](C)CS1 ZINC000917367594 711874919 /nfs/dbraw/zinc/87/49/19/711874919.db2.gz KAVMNHIZTLFCDV-ZETCQYMHSA-N 0 1 227.358 2.443 20 0 BEADMN CCC(=O)N[C@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034059960 712037639 /nfs/dbraw/zinc/03/76/39/712037639.db2.gz FLTYOCRNTVJAAE-XOIDGJRKSA-N 0 1 244.766 2.120 20 0 BEADMN CCC(=O)N[C@H]1CCCCN(C/C=C\Cl)C1 ZINC001034059960 712037640 /nfs/dbraw/zinc/03/76/40/712037640.db2.gz FLTYOCRNTVJAAE-XOIDGJRKSA-N 0 1 244.766 2.120 20 0 BEADMN COC1CC(CN[C@@H](C)c2ncc(C)o2)C1 ZINC000703875332 712092074 /nfs/dbraw/zinc/09/20/74/712092074.db2.gz MAZMIOTVKCIADX-WHXUTIOJSA-N 0 1 224.304 2.059 20 0 BEADMN CCC[C@H]1C[C@@H]1NCc1nnc(C)s1 ZINC000704705330 712113357 /nfs/dbraw/zinc/11/33/57/712113357.db2.gz GHYOMQPILDEMEY-IUCAKERBSA-N 0 1 211.334 2.125 20 0 BEADMN COC(=O)/C(C)=C\CN1CCCC(F)(F)CC1 ZINC000705665052 712134839 /nfs/dbraw/zinc/13/48/39/712134839.db2.gz AWOWDDOGQMLARW-WMZJFQQLSA-N 0 1 247.285 2.227 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709058140 712206704 /nfs/dbraw/zinc/20/67/04/712206704.db2.gz CDPFVWCOTAYQJJ-APPZFPTMSA-N 0 1 239.237 2.124 20 0 BEADMN COC1(OC)CC[C@@H]1NCc1cccc(F)c1 ZINC000711041869 712276264 /nfs/dbraw/zinc/27/62/64/712276264.db2.gz OONZQGXBPVWFJZ-LBPRGKRZSA-N 0 1 239.290 2.067 20 0 BEADMN CCN(CC(=O)OC)C[C@@H](C)C(C)(C)C ZINC000711126764 712286093 /nfs/dbraw/zinc/28/60/93/712286093.db2.gz GZFAYHNJYARJJY-SNVBAGLBSA-N 0 1 215.337 2.164 20 0 BEADMN CCCCCC[C@H](O)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000923255273 712309097 /nfs/dbraw/zinc/30/90/97/712309097.db2.gz CJNHLWIIICNAQN-NWDGAFQWSA-N 0 1 245.363 2.113 20 0 BEADMN CC/C=C\CNCc1nccn1C1CC1 ZINC000711756076 712325670 /nfs/dbraw/zinc/32/56/70/712325670.db2.gz LUXVPRQGRHIDAC-ARJAWSKDSA-N 0 1 205.305 2.274 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])CCS1 ZINC000379446751 712384878 /nfs/dbraw/zinc/38/48/78/712384878.db2.gz DYGQCLQRCOKELF-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CC2)cs1 ZINC000379799560 712403527 /nfs/dbraw/zinc/40/35/27/712403527.db2.gz LPIXLKQWVQVTIK-UHFFFAOYSA-N 0 1 225.313 2.106 20 0 BEADMN CCN1CC[C@@H]1CNc1ncc(Cl)cc1F ZINC000712569184 712447160 /nfs/dbraw/zinc/44/71/60/712447160.db2.gz JVZVGKFBZCSRBJ-SECBINFHSA-N 0 1 243.713 2.380 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000713705882 712469371 /nfs/dbraw/zinc/46/93/71/712469371.db2.gz ZUPGDHAFUNCKJK-DLRQAJBASA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000713711514 712469967 /nfs/dbraw/zinc/46/99/67/712469967.db2.gz VAHKLIZQGPXCAL-UFFNRZRYSA-N 0 1 241.356 2.011 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714337996 712482882 /nfs/dbraw/zinc/48/28/82/712482882.db2.gz IXMDHNSADZXSKK-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CCc1nc(CN[C@@H](CC)C[C@H](C)O)cs1 ZINC000716796684 712574432 /nfs/dbraw/zinc/57/44/32/712574432.db2.gz GFULNXFTYLQVNL-UWVGGRQHSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@H](C[C@@H](C)O)N[C@H](C)c1cscn1 ZINC000716956061 712599879 /nfs/dbraw/zinc/59/98/79/712599879.db2.gz RVFDYYURWPTWAB-OPRDCNLKSA-N 0 1 228.361 2.343 20 0 BEADMN Cc1ccccc1[C@@H](CO)NC/C=C\Cl ZINC000379962149 712637031 /nfs/dbraw/zinc/63/70/31/712637031.db2.gz XGBRCNVENSALRQ-DJFZKKHWSA-N 0 1 225.719 2.371 20 0 BEADMN Cc1cnc(CNCC[C@H]2CC(C)(C)CO2)o1 ZINC000717359150 712650722 /nfs/dbraw/zinc/65/07/22/712650722.db2.gz OQQLRMLYBKRNPL-NSHDSACASA-N 0 1 238.331 2.278 20 0 BEADMN OC[C@@H](NC/C(Cl)=C/Cl)C1CCC1 ZINC000717615385 712662339 /nfs/dbraw/zinc/66/23/39/712662339.db2.gz SOKADVAFCYMORN-USYJTPIQSA-N 0 1 224.131 2.056 20 0 BEADMN CC(F)(F)CCCN1CCC[C@H]1c1nnc[nH]1 ZINC000931144208 712713613 /nfs/dbraw/zinc/71/36/13/712713613.db2.gz QDIBOJIJLUGARJ-VIFPVBQESA-N 0 1 244.289 2.377 20 0 BEADMN c1snnc1CNC1CCC=CCC1 ZINC000718052776 712739200 /nfs/dbraw/zinc/73/92/00/712739200.db2.gz MVGGUZPCSAMNFO-UHFFFAOYSA-N 0 1 209.318 2.127 20 0 BEADMN CCOC[C@@H](C)NCc1cnc(Cl)s1 ZINC000718139361 712748094 /nfs/dbraw/zinc/74/80/94/712748094.db2.gz NSNUGJJKSCQZMQ-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nccn1C(C)C ZINC000720172658 712828939 /nfs/dbraw/zinc/82/89/39/712828939.db2.gz XYNDCTALDSHYNQ-NSHDSACASA-N 0 1 239.363 2.367 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNCc1ccon1 ZINC000720403383 712839726 /nfs/dbraw/zinc/83/97/26/712839726.db2.gz AOLUKSLWLMIRAR-LLHIFLOGSA-N 0 1 206.289 2.056 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)no1 ZINC000720411382 712840745 /nfs/dbraw/zinc/84/07/45/712840745.db2.gz HDATUFSUVDVJHW-LGOOBZPGSA-N 0 1 220.316 2.365 20 0 BEADMN COc1cc([C@@H](C)NC/C=C\Cl)ccn1 ZINC000380359875 712897131 /nfs/dbraw/zinc/89/71/31/712897131.db2.gz XWPAIPNDVDNUQK-AZVKUDOFSA-N 0 1 226.707 2.493 20 0 BEADMN CCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000381407084 710633032 /nfs/dbraw/zinc/63/30/32/710633032.db2.gz SQPTUFAMKKMSKG-SNVBAGLBSA-N 0 1 241.404 2.483 20 0 BEADMN CS/C=C\c1nc([C@@H](N)C(C)C)no1 ZINC000393606254 710633173 /nfs/dbraw/zinc/63/31/73/710633173.db2.gz MLRZVFYJLVKWGA-LGYSABEFSA-N 0 1 213.306 2.059 20 0 BEADMN C[C@@H](NC1CCC(C)(O)CC1)c1cscn1 ZINC000381444065 710637612 /nfs/dbraw/zinc/63/76/12/710637612.db2.gz FHKVSHCKHTVAED-GRZMOONWSA-N 0 1 240.372 2.487 20 0 BEADMN CC1(C)CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721537614 710680754 /nfs/dbraw/zinc/68/07/54/710680754.db2.gz APUMKPCDPHQADX-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CCO[C@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000721237710 712899979 /nfs/dbraw/zinc/89/99/79/712899979.db2.gz SWWCSXGJSCSQRF-AAEUAGOBSA-N 0 1 238.331 2.420 20 0 BEADMN N#Cc1ccc(F)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000380385140 712900520 /nfs/dbraw/zinc/90/05/20/712900520.db2.gz WLTTUYIHBMESDT-PHIMTYICSA-N 0 1 216.259 2.149 20 0 BEADMN CC(C)CN1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042420609 710783348 /nfs/dbraw/zinc/78/33/48/710783348.db2.gz OTWNWRLYJHQNRZ-UHFFFAOYSA-N 0 1 246.354 2.099 20 0 BEADMN CN(C(=O)C1=CCCC1)C1CN(CCC2CC2)C1 ZINC001042607174 710794951 /nfs/dbraw/zinc/79/49/51/710794951.db2.gz AEQYRWBLGDXLNA-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H]1CN(CCSC(C)(C)C)CCO1 ZINC000801909938 710873749 /nfs/dbraw/zinc/87/37/49/710873749.db2.gz IQQMNQIKMRCUKD-JTQLQIEISA-N 0 1 217.378 2.239 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC=C(C)C1 ZINC000382522534 710946031 /nfs/dbraw/zinc/94/60/31/710946031.db2.gz BWEWTKWPZKBHPY-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000384838615 710998945 /nfs/dbraw/zinc/99/89/45/710998945.db2.gz HSIAPHXKOPXNIE-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cnccc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000384827487 710997406 /nfs/dbraw/zinc/99/74/06/710997406.db2.gz DQDUNFJAZUQOKQ-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CCCCOC(=O)CN(CC)CCC1CC1 ZINC000385197983 711006839 /nfs/dbraw/zinc/00/68/39/711006839.db2.gz PTOBHEIDSVMUBA-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@H]1CCSCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000385234158 711008442 /nfs/dbraw/zinc/00/84/42/711008442.db2.gz SVICVFNLIRNZQH-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000385874660 711019098 /nfs/dbraw/zinc/01/90/98/711019098.db2.gz VQTHIRYFFVPPNO-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN Cc1ccsc1[C@H](CO)NC/C=C\Cl ZINC000388757979 711066327 /nfs/dbraw/zinc/06/63/27/711066327.db2.gz SKRQQJZITGQGOH-MDHMXLOGSA-N 0 1 231.748 2.432 20 0 BEADMN Cc1sccc1C[N@H+](CC(=O)[O-])C(C)C ZINC000389674604 711086390 /nfs/dbraw/zinc/08/63/90/711086390.db2.gz CADGXEARSGBXHX-UHFFFAOYSA-N 0 1 227.329 2.352 20 0 BEADMN FC1(F)CCC[C@H]1NC[C@H]1CCCOC1 ZINC000389933291 711098579 /nfs/dbraw/zinc/09/85/79/711098579.db2.gz LVXWXOBJJALVOA-NXEZZACHSA-N 0 1 219.275 2.190 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccnn1C ZINC000390487570 711120406 /nfs/dbraw/zinc/12/04/06/711120406.db2.gz PFJSXXZATSGQBM-VHSXEESVSA-N 0 1 218.304 2.160 20 0 BEADMN CC(C)CCC[C@@H](C)NCc1cnn(C)n1 ZINC000390642472 711129728 /nfs/dbraw/zinc/12/97/28/711129728.db2.gz LIIFCYRTQGLXSU-LLVKDONJSA-N 0 1 224.352 2.120 20 0 BEADMN C[C@H](N[C@H]1CC2CCC1CC2)c1ncn(C)n1 ZINC000391870103 711141230 /nfs/dbraw/zinc/14/12/30/711141230.db2.gz FLJHIWPYVZRYGW-XKGSQUFQSA-N 0 1 234.347 2.044 20 0 BEADMN C[C@@H](N[C@H]1CC2CCC1CC2)c1ncn(C)n1 ZINC000391870105 711142244 /nfs/dbraw/zinc/14/22/44/711142244.db2.gz FLJHIWPYVZRYGW-YYJSSNLHSA-N 0 1 234.347 2.044 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])C[C@@]1(C)CCCS1 ZINC000392992760 711154488 /nfs/dbraw/zinc/15/44/88/711154488.db2.gz NBTGNNXDUBURPQ-LLVKDONJSA-N 0 1 231.361 2.069 20 0 BEADMN C[C@@H](NCc1ccc(=O)[nH]c1)c1cncs1 ZINC000392939121 711154639 /nfs/dbraw/zinc/15/46/39/711154639.db2.gz HNVFZDCKKPQCGY-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN Cc1cc(CNCCF)cc(Cl)n1 ZINC000393561650 711163396 /nfs/dbraw/zinc/16/33/96/711163396.db2.gz DRJCSIPMKLAPPB-UHFFFAOYSA-N 0 1 202.660 2.103 20 0 BEADMN COC1CC(NCc2csc(C3CC3)n2)C1 ZINC000393758028 711172258 /nfs/dbraw/zinc/17/22/58/711172258.db2.gz UAPROMDTXAKCJL-UHFFFAOYSA-N 0 1 238.356 2.288 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1C(=O)[O-] ZINC000394527186 711194043 /nfs/dbraw/zinc/19/40/43/711194043.db2.gz YYBRMMIRWUSVFO-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H](C)[N@@H+](CCCC1CC1)CC(=O)[O-] ZINC000394658336 711196830 /nfs/dbraw/zinc/19/68/30/711196830.db2.gz NGDJTYFCBZOLKK-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CCCC[C@@H]1C ZINC000394793104 711197282 /nfs/dbraw/zinc/19/72/82/711197282.db2.gz OERFNLTXYPNNQC-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000394981840 711199505 /nfs/dbraw/zinc/19/95/05/711199505.db2.gz YSFZSTJYWIOKDI-SNVBAGLBSA-N 0 1 247.285 2.361 20 0 BEADMN COC(=O)c1occc1CNC1CC(C)(C)C1 ZINC000395179638 711205320 /nfs/dbraw/zinc/20/53/20/711205320.db2.gz MJDFLJPFOPZBRQ-UHFFFAOYSA-N 0 1 237.299 2.344 20 0 BEADMN CC[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CCS1 ZINC000395580682 711213433 /nfs/dbraw/zinc/21/34/33/711213433.db2.gz VZUCUPVWBODCMR-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CC(C)(C)SCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000380886529 710593569 /nfs/dbraw/zinc/59/35/69/710593569.db2.gz IQVMQWAMQYITRS-LBPRGKRZSA-N 0 1 245.388 2.315 20 0 BEADMN CN[C@@H](C)c1cn(CCSC(C)(C)C)nn1 ZINC000381301731 710618978 /nfs/dbraw/zinc/61/89/78/710618978.db2.gz FJXNVTQEIWUMRC-VIFPVBQESA-N 0 1 242.392 2.090 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000722664914 710719176 /nfs/dbraw/zinc/71/91/76/710719176.db2.gz LCJKFKDQTBZDBG-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039544457 710745736 /nfs/dbraw/zinc/74/57/36/710745736.db2.gz CHNNWICQDWCUEB-FWXODLJWSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1cc(C(=O)[O-])oc1C ZINC000386462367 711030333 /nfs/dbraw/zinc/03/03/33/711030333.db2.gz GDFUONZRNBNLQV-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(C)cc2)n[nH]1 ZINC000392374743 711145135 /nfs/dbraw/zinc/14/51/35/711145135.db2.gz NZYOVDWFVPDTKK-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@H](C)NCc2ccc(Cl)o2)n[nH]1 ZINC000392376838 711145372 /nfs/dbraw/zinc/14/53/72/711145372.db2.gz JAKHUBAGVBSFNQ-LURJTMIESA-N 0 1 240.694 2.210 20 0 BEADMN Cc1nc([C@H](C)NCc2cccc(F)c2)n[nH]1 ZINC000392442899 711147071 /nfs/dbraw/zinc/14/70/71/711147071.db2.gz BWWXDOBWDBCEMJ-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000393296660 711155945 /nfs/dbraw/zinc/15/59/45/711155945.db2.gz PPQODSDIGQVHID-NOOOWODRSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1cncc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000397044037 711375438 /nfs/dbraw/zinc/37/54/38/711375438.db2.gz XJUXREWKCHKXLK-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1cnsn1 ZINC000399746006 711435245 /nfs/dbraw/zinc/43/52/45/711435245.db2.gz DMMOABGOLRKENH-SCZZXKLOSA-N 0 1 211.334 2.206 20 0 BEADMN CC(C)=CCC[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722609573 711455395 /nfs/dbraw/zinc/45/53/95/711455395.db2.gz LYIJDFTYFGOSIU-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722638470 711456833 /nfs/dbraw/zinc/45/68/33/711456833.db2.gz RVKZMKYCESIMQQ-HBNTYKKESA-N 0 1 213.321 2.075 20 0 BEADMN Cc1[nH+]c(NC2CCCC2)ccc1C(=O)[O-] ZINC000133884650 711474778 /nfs/dbraw/zinc/47/47/78/711474778.db2.gz GHAXDADZOBNDRB-UHFFFAOYSA-N 0 1 220.272 2.443 20 0 BEADMN CCCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133886582 711475053 /nfs/dbraw/zinc/47/50/53/711475053.db2.gz NBTHCVGXKMWDFZ-UHFFFAOYSA-N 0 1 208.261 2.300 20 0 BEADMN Cc1[nH+]c(N2CCC[C@H]2C)ccc1C(=O)[O-] ZINC000133893413 711475133 /nfs/dbraw/zinc/47/51/33/711475133.db2.gz PPAAVYKWXPVZSS-MRVPVSSYSA-N 0 1 220.272 2.077 20 0 BEADMN C=C/C=C/CCN[C@@H](C)c1csnn1 ZINC000713688253 711492236 /nfs/dbraw/zinc/49/22/36/711492236.db2.gz VPBKBXJKMNQKTG-MOVJSRMASA-N 0 1 209.318 2.321 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000723059236 711498619 /nfs/dbraw/zinc/49/86/19/711498619.db2.gz FRGPJJWCCRFBHY-MBNYWOFBSA-N 0 1 239.359 2.465 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@@H](C)c1csnn1 ZINC000723104554 711503700 /nfs/dbraw/zinc/50/37/00/711503700.db2.gz WXRYFOWDWPFHKN-YIZRAAEISA-N 0 1 211.334 2.235 20 0 BEADMN CC(F)(F)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723624936 711526486 /nfs/dbraw/zinc/52/64/86/711526486.db2.gz MVAPNNMLBFVMMQ-OUAUKWLOSA-N 0 1 233.302 2.436 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000723870384 711540612 /nfs/dbraw/zinc/54/06/12/711540612.db2.gz BKBYCNUBFROEDZ-CYBMUJFWSA-N 0 1 248.326 2.138 20 0 BEADMN CC[C@H](NCC(C)(F)F)[C@H]1CCCOC1 ZINC000724008015 711555298 /nfs/dbraw/zinc/55/52/98/711555298.db2.gz TZVWQNBOSZIKIN-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN CC[C@@H](NCC(C)(F)F)[C@H]1CCCOC1 ZINC000724008016 711555365 /nfs/dbraw/zinc/55/53/65/711555365.db2.gz TZVWQNBOSZIKIN-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN CC(C)(C)c1coc(CNCC2(C)COC2)n1 ZINC000724395989 711577633 /nfs/dbraw/zinc/57/76/33/711577633.db2.gz YIHBBEYQEBHTFZ-UHFFFAOYSA-N 0 1 238.331 2.098 20 0 BEADMN CCc1cc(=O)n(-c2cc(F)ccc2F)[nH]1 ZINC000382677041 711578327 /nfs/dbraw/zinc/57/83/27/711578327.db2.gz WREXCEPIBJLHAC-UHFFFAOYSA-N 0 1 224.210 2.468 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](C(F)F)C2)[nH]1 ZINC000724778392 711613021 /nfs/dbraw/zinc/61/30/21/711613021.db2.gz XNJQSLVDLITSSK-SECBINFHSA-N 0 1 229.274 2.114 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721540422 711619879 /nfs/dbraw/zinc/61/98/79/711619879.db2.gz JJBUACLFKYXPBZ-SNVBAGLBSA-N 0 1 236.315 2.400 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721543007 711620291 /nfs/dbraw/zinc/62/02/91/711620291.db2.gz VVLJVEKNKZPODG-SNVBAGLBSA-N 0 1 236.315 2.256 20 0 BEADMN CC(C)C[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CC1 ZINC000721545822 711621409 /nfs/dbraw/zinc/62/14/09/711621409.db2.gz JCEMXENFWXMNNN-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CCCC1 ZINC000721548509 711622308 /nfs/dbraw/zinc/62/23/08/711622308.db2.gz UGGRWMBBKYMTNM-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CC23CC(O)C3)o1 ZINC000724931346 711630350 /nfs/dbraw/zinc/63/03/50/711630350.db2.gz MPZXLBYQSHQELO-RDFBRRAWSA-N 0 1 247.338 2.406 20 0 BEADMN Cn1ncc(CN[C@H]2CC23CCCC3)c1Cl ZINC000382406973 711657143 /nfs/dbraw/zinc/65/71/43/711657143.db2.gz SKHZDNVLBGQXFR-JTQLQIEISA-N 0 1 239.750 2.496 20 0 BEADMN Cc1ccc2c(c1)N(Cc1cnc[nH]1)CC2 ZINC000146702225 711674464 /nfs/dbraw/zinc/67/44/64/711674464.db2.gz MXILNZTZGIFPJU-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN CC(C)S(=O)(=O)CCN1[C@H](C)CCC[C@@H]1C ZINC000178225132 711682372 /nfs/dbraw/zinc/68/23/72/711682372.db2.gz SLRPCTQQTUXJNR-TXEJJXNPSA-N 0 1 247.404 2.073 20 0 BEADMN Cc1nonc1[C@H](C)NCCC1CCC1 ZINC000925520713 711696280 /nfs/dbraw/zinc/69/62/80/711696280.db2.gz XUYXKJZYEWYNKY-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN CC(C)(C)c1nc(C2(N)CCCC2)no1 ZINC000036764536 711710320 /nfs/dbraw/zinc/71/03/20/711710320.db2.gz YOLIQXKEZVTYGN-UHFFFAOYSA-N 0 1 209.293 2.095 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1cnccn1 ZINC000722315185 711734599 /nfs/dbraw/zinc/73/45/99/711734599.db2.gz POXJBBZTTOHAEI-ZKYQVNSYSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1nccn1C ZINC000722314722 711734643 /nfs/dbraw/zinc/73/46/43/711734643.db2.gz DZBOJPVYARLGEZ-WCFLWFBJSA-N 0 1 249.358 2.028 20 0 BEADMN CCc1nnc(CNCCC2CCC2)s1 ZINC000398817563 711740179 /nfs/dbraw/zinc/74/01/79/711740179.db2.gz RBVATXSEMDGZGR-UHFFFAOYSA-N 0 1 225.361 2.380 20 0 BEADMN CC[C@H]1COCCN1CC[C@H](O)c1ccccc1 ZINC000053932726 711741328 /nfs/dbraw/zinc/74/13/28/711741328.db2.gz GSHXPHPGGDFCSR-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CSc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1 ZINC000037853414 711755087 /nfs/dbraw/zinc/75/50/87/711755087.db2.gz DPXSPPNYSNYIFJ-UHFFFAOYSA-N 0 1 239.340 2.315 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CCNCC1 ZINC000236798565 711762029 /nfs/dbraw/zinc/76/20/29/711762029.db2.gz GJAZBJRRRBVBOS-GFCCVEGCSA-N 0 1 226.364 2.025 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCCCC1CC1 ZINC000896453155 711782110 /nfs/dbraw/zinc/78/21/10/711782110.db2.gz BPECXHVQUZMQCA-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN O=C(Cc1cnc[nH]1)NCC1(C2CCC2)CCC1 ZINC000909549379 711782959 /nfs/dbraw/zinc/78/29/59/711782959.db2.gz NDTHVWHNKLFADM-UHFFFAOYSA-N 0 1 247.342 2.039 20 0 BEADMN CC1(NCc2cnn(-c3ccccc3)n2)CCC1 ZINC000159915791 711805229 /nfs/dbraw/zinc/80/52/29/711805229.db2.gz YDBWVWUHMQOWJB-UHFFFAOYSA-N 0 1 242.326 2.300 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000167583195 711830228 /nfs/dbraw/zinc/83/02/28/711830228.db2.gz POIIPKXVIDIBFX-ABRRARGCSA-N 0 1 231.361 2.091 20 0 BEADMN C[C@H](N[C@H]1CCc2cccnc21)c1cn[nH]c1 ZINC000229632977 711838680 /nfs/dbraw/zinc/83/86/80/711838680.db2.gz MFERRVYFGXPYTG-CABZTGNLSA-N 0 1 228.299 2.143 20 0 BEADMN OCCCCCCNCc1ncc(Cl)s1 ZINC000225380509 711857265 /nfs/dbraw/zinc/85/72/65/711857265.db2.gz ZFSYBVPYBGNEQC-UHFFFAOYSA-N 0 1 248.779 2.439 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348306 711913491 /nfs/dbraw/zinc/91/34/91/711913491.db2.gz CZWAXHRAJARWDM-KBPBESRZSA-N 0 1 248.370 2.182 20 0 BEADMN CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032568177 711926159 /nfs/dbraw/zinc/92/61/59/711926159.db2.gz WSYKCNHQQODLEN-KCQAQPDRSA-N 0 1 248.370 2.038 20 0 BEADMN Cc1cc(CNCC[C@H](O)c2ccccc2)no1 ZINC000721312222 711979099 /nfs/dbraw/zinc/97/90/99/711979099.db2.gz IFWDTAKGJHTJSH-AWEZNQCLSA-N 0 1 246.310 2.196 20 0 BEADMN CSC(C)(C)CNCc1ncc(C)o1 ZINC000700404267 711992543 /nfs/dbraw/zinc/99/25/43/711992543.db2.gz HNYBSKMLZAYTLQ-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc(O)c(F)c2)C1 ZINC000701660891 712026408 /nfs/dbraw/zinc/02/64/08/712026408.db2.gz CRTNFKJTNHPDIE-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN C[C@](O)(CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000701771441 712028867 /nfs/dbraw/zinc/02/88/67/712028867.db2.gz RJLWCTKXYFQPJD-KGLIPLIRSA-N 0 1 237.318 2.328 20 0 BEADMN C[C@@H](F)CCNCc1cnn(-c2ccccc2)n1 ZINC000702633436 712057501 /nfs/dbraw/zinc/05/75/01/712057501.db2.gz RXNQYZKVZHSCIV-LLVKDONJSA-N 0 1 248.305 2.105 20 0 BEADMN COC1CC(CN[C@H](C)c2ncc(C)o2)C1 ZINC000703875331 712091663 /nfs/dbraw/zinc/09/16/63/712091663.db2.gz MAZMIOTVKCIADX-KPPDAEKUSA-N 0 1 224.304 2.059 20 0 BEADMN Cc1nnc(CNC[C@@H]2CCCCS2)s1 ZINC000704686801 712113479 /nfs/dbraw/zinc/11/34/79/712113479.db2.gz WPPTWCZWSJYMBB-VIFPVBQESA-N 0 1 243.401 2.222 20 0 BEADMN Cc1cocc1-c1nc([C@H](N)C(C)C)no1 ZINC000705224093 712124826 /nfs/dbraw/zinc/12/48/26/712124826.db2.gz GQMUBYSRMRYNCG-SECBINFHSA-N 0 1 221.260 2.294 20 0 BEADMN Cc1cocc1-c1nc([C@@H](N)C(C)C)no1 ZINC000705224098 712124918 /nfs/dbraw/zinc/12/49/18/712124918.db2.gz GQMUBYSRMRYNCG-VIFPVBQESA-N 0 1 221.260 2.294 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(O)cc2)no1 ZINC000707945418 712174082 /nfs/dbraw/zinc/17/40/82/712174082.db2.gz AYUSNZAWTZVVRR-MRVPVSSYSA-N 0 1 233.271 2.113 20 0 BEADMN CSC1CC(N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000708256146 712184654 /nfs/dbraw/zinc/18/46/54/712184654.db2.gz DEJYNNVNWPHGPC-IDWGSYCQSA-N 0 1 237.372 2.373 20 0 BEADMN Cc1csc(CNC[C@@H]2CC(C)(C)CO2)n1 ZINC000708341643 712188900 /nfs/dbraw/zinc/18/89/00/712188900.db2.gz MTGKCLPMGSNURG-JTQLQIEISA-N 0 1 240.372 2.356 20 0 BEADMN C[C@]1(C(F)(F)F)CCN(Cc2cn[nH]c2)C1 ZINC000708616714 712195600 /nfs/dbraw/zinc/19/56/00/712195600.db2.gz DLGDBWXSNIUNNA-VIFPVBQESA-N 0 1 233.237 2.184 20 0 BEADMN CC(C)[C@H]1CN(C[C@@H](O)c2ccccc2)CCO1 ZINC000708880261 712202576 /nfs/dbraw/zinc/20/25/76/712202576.db2.gz GOFVDOJBOKIQGW-HUUCEWRRSA-N 0 1 249.354 2.077 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1cn(C)cn1 ZINC000709897545 712231211 /nfs/dbraw/zinc/23/12/11/712231211.db2.gz PXBLHYFUOQHRJQ-NSHDSACASA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1cn(C)cn1 ZINC000709910556 712232276 /nfs/dbraw/zinc/23/22/76/712232276.db2.gz HWWDDEFTQSGIGB-UTUOFQBUSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1c(F)cccc1F ZINC000711078567 712279131 /nfs/dbraw/zinc/27/91/31/712279131.db2.gz SELLYJOAKUOCGV-PELKAZGASA-N 0 1 227.254 2.089 20 0 BEADMN CCN(CC(=O)OC)C[C@H](C)C(C)(C)C ZINC000711126762 712286080 /nfs/dbraw/zinc/28/60/80/712286080.db2.gz GZFAYHNJYARJJY-JTQLQIEISA-N 0 1 215.337 2.164 20 0 BEADMN CC1(C)CC[C@@H](CN[C@H]2CCn3ccnc32)OC1 ZINC000711228219 712289965 /nfs/dbraw/zinc/28/99/65/712289965.db2.gz VQTAYVRMTPBYTG-RYUDHWBXSA-N 0 1 249.358 2.123 20 0 BEADMN CC(C)CCCNCc1noc2c1COCC2 ZINC000923015920 712291972 /nfs/dbraw/zinc/29/19/72/712291972.db2.gz GELJELJKCJHTGS-UHFFFAOYSA-N 0 1 238.331 2.273 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1cn(C)cn1 ZINC000711424317 712299525 /nfs/dbraw/zinc/29/95/25/712299525.db2.gz SMMJATIODSCRPF-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000711473323 712303093 /nfs/dbraw/zinc/30/30/93/712303093.db2.gz DLGCCIFQOAGFLI-WDEREUQCSA-N 0 1 231.311 2.167 20 0 BEADMN CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](CF)C1 ZINC000711453852 712304366 /nfs/dbraw/zinc/30/43/66/712304366.db2.gz KTCJURMHGWXKNY-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CCC[C@@H](CF)C1 ZINC000711453852 712304367 /nfs/dbraw/zinc/30/43/67/712304367.db2.gz KTCJURMHGWXKNY-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCC[C@@H](CF)C1 ZINC000711476727 712305026 /nfs/dbraw/zinc/30/50/26/712305026.db2.gz OAQMFNNOGWWYBF-RYUDHWBXSA-N 0 1 245.338 2.256 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@@H](CF)C1 ZINC000711488497 712306330 /nfs/dbraw/zinc/30/63/30/712306330.db2.gz CJDKJNZBZSRVKM-JQWIXIFHSA-N 0 1 237.274 2.104 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@@H](CF)C2)cs1 ZINC000711501971 712307653 /nfs/dbraw/zinc/30/76/53/712307653.db2.gz IKVZOPCICGTVJP-QMMMGPOBSA-N 0 1 243.303 2.238 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CC1=CCCC1)CC2 ZINC000711623034 712312798 /nfs/dbraw/zinc/31/27/98/712312798.db2.gz KAAISKNKCUUZKL-OCCSQVGLSA-N 0 1 235.327 2.426 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CC1CC=CC1)CC2 ZINC000711650674 712313995 /nfs/dbraw/zinc/31/39/95/712313995.db2.gz PQLAFXOTVLYTFB-OCCSQVGLSA-N 0 1 235.327 2.282 20 0 BEADMN NC1(c2noc([C@@]34C[C@@H]3CCCC4)n2)CCC1 ZINC000711718326 712319152 /nfs/dbraw/zinc/31/91/52/712319152.db2.gz QBACASIYCTUAIU-CABZTGNLSA-N 0 1 233.315 2.239 20 0 BEADMN CCC[C@@]1(NCc2nccn2C2CC2)CCOC1 ZINC000711753171 712324864 /nfs/dbraw/zinc/32/48/64/712324864.db2.gz UZBSWHYXGUJKQJ-CQSZACIVSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1[nH+]c(NC[C@@H]2C=CCC2)ccc1C(=O)[O-] ZINC000711770623 712327795 /nfs/dbraw/zinc/32/77/95/712327795.db2.gz NWHQBQBBQFOOMU-SNVBAGLBSA-N 0 1 232.283 2.466 20 0 BEADMN Clc1nc2[nH]cnc2c(NC[C@@H]2C=CCC2)n1 ZINC000711786327 712329973 /nfs/dbraw/zinc/32/99/73/712329973.db2.gz MIDLVOKZHWPWCL-SSDOTTSWSA-N 0 1 249.705 2.336 20 0 BEADMN CS[C@H](C)CNCc1nccn1C1CC1 ZINC000711805385 712331552 /nfs/dbraw/zinc/33/15/52/712331552.db2.gz RVKWBMQRNXDKTG-SECBINFHSA-N 0 1 225.361 2.059 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000378724404 712358223 /nfs/dbraw/zinc/35/82/23/712358223.db2.gz HYYYQQYHMXKBKM-ONGXEEELSA-N 0 1 235.283 2.352 20 0 BEADMN C[C@H](OC(=O)c1ccc2cncn2c1)C1CC1 ZINC000790904072 712421752 /nfs/dbraw/zinc/42/17/52/712421752.db2.gz AXJPEQTVYAZBHC-VIFPVBQESA-N 0 1 230.267 2.290 20 0 BEADMN Cn1ccc(CNc2ccc3c(n2)CCCC3)n1 ZINC000712368542 712428370 /nfs/dbraw/zinc/42/83/70/712428370.db2.gz BIGXIMDYTIJOTL-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN Cn1ncc(CN[C@@]2(C)CC2(C)C)c1Cl ZINC000712445199 712430635 /nfs/dbraw/zinc/43/06/35/712430635.db2.gz WULOVDJTTTULTI-NSHDSACASA-N 0 1 227.739 2.352 20 0 BEADMN CN1CC[C@@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000712619653 712438863 /nfs/dbraw/zinc/43/88/63/712438863.db2.gz YSRQVKHCBLWDIN-SECBINFHSA-N 0 1 245.248 2.216 20 0 BEADMN OCC1(NCc2ncccn2)CCCCCCC1 ZINC000713493675 712462604 /nfs/dbraw/zinc/46/26/04/712462604.db2.gz DJQWKICYVJNHQJ-UHFFFAOYSA-N 0 1 249.358 2.042 20 0 BEADMN C=C/C=C\CCNCc1cn(C(C)C)nn1 ZINC000713491095 712462709 /nfs/dbraw/zinc/46/27/09/712462709.db2.gz MNXSQGLBWQUQDA-WAYWQWQTSA-N 0 1 220.320 2.081 20 0 BEADMN C=C/C=C\CCNCc1ccoc1C(=O)OC ZINC000713496112 712463133 /nfs/dbraw/zinc/46/31/33/712463133.db2.gz NXLMHQQYBPBGPN-PLNGDYQASA-N 0 1 235.283 2.288 20 0 BEADMN Cc1ccc(CNC[C@@H]2CCC(C)(C)CO2)nn1 ZINC000713614667 712467172 /nfs/dbraw/zinc/46/71/72/712467172.db2.gz SQIPEJVUXIXECD-ZDUSSCGKSA-N 0 1 249.358 2.080 20 0 BEADMN C=C/C=C\CC[N@@H+](CC(=O)[O-])CC(C)C ZINC000713705892 712469336 /nfs/dbraw/zinc/46/93/36/712469336.db2.gz ZUTPMMXUIFULTJ-WAYWQWQTSA-N 0 1 211.305 2.161 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000713711109 712470054 /nfs/dbraw/zinc/47/00/54/712470054.db2.gz LKOZFRZDJVCQKR-PCAWENJQSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C/CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000713711101 712470124 /nfs/dbraw/zinc/47/01/24/712470124.db2.gz LFJXXFMDGYWLMJ-XMXMHJJKSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000713711562 712470181 /nfs/dbraw/zinc/47/01/81/712470181.db2.gz WHJAGPBVVICRDV-UMCURTJPSA-N 0 1 209.289 2.056 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000713711509 712470247 /nfs/dbraw/zinc/47/02/47/712470247.db2.gz VAHKLIZQGPXCAL-DLRQAJBASA-N 0 1 241.356 2.011 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000036785902 712495198 /nfs/dbraw/zinc/49/51/98/712495198.db2.gz NZVPDMAFAFCTAN-QMMMGPOBSA-N 0 1 223.272 2.208 20 0 BEADMN CCn1cc(CN[C@@H]2CC23CCCCC3)nn1 ZINC000714907850 712498880 /nfs/dbraw/zinc/49/88/80/712498880.db2.gz ISMPZHNTPACNFA-GFCCVEGCSA-N 0 1 234.347 2.110 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(C(=O)[O-])cc1F ZINC000714931609 712500446 /nfs/dbraw/zinc/50/04/46/712500446.db2.gz MHJFOBLCHWWZMS-UHFFFAOYSA-N 0 1 243.253 2.315 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@H]1CC12CC2 ZINC000715238455 712513829 /nfs/dbraw/zinc/51/38/29/712513829.db2.gz LLTSTXTWXBPROY-VIFPVBQESA-N 0 1 225.723 2.024 20 0 BEADMN CC[N@H+](CCC(=O)[O-])CC[C@@H]1C[C@H]1C1CC1 ZINC000715440600 712519431 /nfs/dbraw/zinc/51/94/31/712519431.db2.gz NWMFDGLLJWYTCW-NEPJUHHUSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1nnc(CNCC[C@@H]2CCCS2)s1 ZINC000715792646 712532282 /nfs/dbraw/zinc/53/22/82/712532282.db2.gz SEILCKZDDIJGLI-VIFPVBQESA-N 0 1 243.401 2.222 20 0 BEADMN Cc1ccc(O)c(CN[C@@H](C)c2ccns2)n1 ZINC000715927526 712542979 /nfs/dbraw/zinc/54/29/79/712542979.db2.gz NSOQXLWSHJWCMP-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN Cc1ccc(O)c(CN[C@H](C)c2ccns2)n1 ZINC000715927524 712543231 /nfs/dbraw/zinc/54/32/31/712543231.db2.gz NSOQXLWSHJWCMP-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN CCn1cc([C@H](C)NCc2[nH]nc(C)c2C)cn1 ZINC000716449516 712561672 /nfs/dbraw/zinc/56/16/72/712561672.db2.gz BMDQAXOMCRKNFG-NSHDSACASA-N 0 1 247.346 2.094 20 0 BEADMN CCn1cc([C@H](C)NCc2n[nH]c(C)c2C)cn1 ZINC000716449516 712561673 /nfs/dbraw/zinc/56/16/73/712561673.db2.gz BMDQAXOMCRKNFG-NSHDSACASA-N 0 1 247.346 2.094 20 0 BEADMN Cc1n[nH]c(CNCc2cnccc2C)c1C ZINC000716457541 712562370 /nfs/dbraw/zinc/56/23/70/712562370.db2.gz ZDESUHZQSHGNGL-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1n[nH]c(CNCc2ccsc2)c1C ZINC000716492395 712566182 /nfs/dbraw/zinc/56/61/82/712566182.db2.gz FILDQXLPGBMFOY-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1ncnc2[nH]cnc21 ZINC000716613820 712567735 /nfs/dbraw/zinc/56/77/35/712567735.db2.gz OBSGECBQHFKMDI-KATARQTJSA-N 0 1 243.314 2.009 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCC3(CCC3)CO2)n1 ZINC000716607984 712569277 /nfs/dbraw/zinc/56/92/77/712569277.db2.gz YZGNAMTWISHSGA-GFCCVEGCSA-N 0 1 249.358 2.157 20 0 BEADMN COC(=O)/C=C/c1ccc(CN[C@@H]2C=CCC2)o1 ZINC000826942294 712592878 /nfs/dbraw/zinc/59/28/78/712592878.db2.gz OPXSRAJCRGAOCT-ANYFNZRUSA-N 0 1 247.294 2.274 20 0 BEADMN CCCCN(C)Cn1cc(-c2ccncn2)cn1 ZINC000848475672 712609870 /nfs/dbraw/zinc/60/98/70/712609870.db2.gz QJDUBZCFTSHQJT-UHFFFAOYSA-N 0 1 245.330 2.030 20 0 BEADMN C[C@H](NCc1ccon1)[C@@H]1C[C@H]1C1CC1 ZINC000858147889 712617041 /nfs/dbraw/zinc/61/70/41/712617041.db2.gz CXKDKUJTTAUMGG-UWJYBYFXSA-N 0 1 206.289 2.199 20 0 BEADMN Cc1ccoc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000717226333 712640470 /nfs/dbraw/zinc/64/04/70/712640470.db2.gz HRXUZBKYYUQOJB-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN Cc1[nH+]c(NCC2CC=CC2)ccc1C(=O)[O-] ZINC000717303537 712645782 /nfs/dbraw/zinc/64/57/82/712645782.db2.gz GUYSKDNRYPFDGM-UHFFFAOYSA-N 0 1 232.283 2.466 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cc(C)ccn2)no1 ZINC000111682765 712688251 /nfs/dbraw/zinc/68/82/51/712688251.db2.gz XXFDFTFKRDBDJB-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2C)c(=O)c1C ZINC000111739210 712688555 /nfs/dbraw/zinc/68/85/55/712688555.db2.gz YNVUBTBLWKENDX-QMMMGPOBSA-N 0 1 220.247 2.493 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H](C(F)(F)F)C1)C(F)F ZINC000389898642 712690928 /nfs/dbraw/zinc/69/09/28/712690928.db2.gz AJYHZWGXBLUXAI-RRKCRQDMSA-N 0 1 247.207 2.340 20 0 BEADMN Cc1nonc1CN[C@@H](C)CCC1CC1 ZINC000380149282 712700011 /nfs/dbraw/zinc/70/00/11/712700011.db2.gz XJAPRNNOHNADRD-QMMMGPOBSA-N 0 1 209.293 2.046 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](O)CC1 ZINC000930590627 712713155 /nfs/dbraw/zinc/71/31/55/712713155.db2.gz SBWQMGZFPXHXHM-JQWIXIFHSA-N 0 1 238.306 2.129 20 0 BEADMN c1cc2n(c1)CCN(CCC[C@H]1CCOC1)C2 ZINC000932525506 712717700 /nfs/dbraw/zinc/71/77/00/712717700.db2.gz ADOKVMWYPMGLEL-ZDUSSCGKSA-N 0 1 234.343 2.120 20 0 BEADMN Cc1coc(CNCCO[C@H]2CC2(F)F)c1 ZINC000718056442 712740174 /nfs/dbraw/zinc/74/01/74/712740174.db2.gz AMSGGQNHTISHFF-JTQLQIEISA-N 0 1 231.242 2.102 20 0 BEADMN Cc1coc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000718453518 712763355 /nfs/dbraw/zinc/76/33/55/712763355.db2.gz ZUTXZXPUGRFNLL-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCC(C)(F)F)C1 ZINC000718635609 712772834 /nfs/dbraw/zinc/77/28/34/712772834.db2.gz IFZMMHCFTSZTGP-ZJUUUORDSA-N 0 1 249.301 2.464 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000718615387 712773954 /nfs/dbraw/zinc/77/39/54/712773954.db2.gz LWKCWWRVIGCAGW-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN O[C@@H](CNCc1ccccc1F)c1ccco1 ZINC000037862866 712776136 /nfs/dbraw/zinc/77/61/36/712776136.db2.gz PPHOSRNQDMYGJM-LBPRGKRZSA-N 0 1 235.258 2.242 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCC=CCCC2)n[nH]1 ZINC000719048644 712794651 /nfs/dbraw/zinc/79/46/51/712794651.db2.gz PFEUGMQEFQLWJV-GFCCVEGCSA-N 0 1 247.342 2.471 20 0 BEADMN CSCC[C@@H](C)NCc1cc(C)on1 ZINC000720391593 712838050 /nfs/dbraw/zinc/83/80/50/712838050.db2.gz ROBRNHVGTNFWDD-MRVPVSSYSA-N 0 1 214.334 2.214 20 0 BEADMN CN1Cc2ccc(NCc3ccon3)cc2C1 ZINC000720396423 712838323 /nfs/dbraw/zinc/83/83/23/712838323.db2.gz CYSCXZNSTFFACZ-UHFFFAOYSA-N 0 1 229.283 2.232 20 0 BEADMN OCC1(NCc2ccon2)CCCCCCC1 ZINC000720406082 712839900 /nfs/dbraw/zinc/83/99/00/712839900.db2.gz QHMCOAAUUKQVST-UHFFFAOYSA-N 0 1 238.331 2.240 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)on1 ZINC000720831535 712869261 /nfs/dbraw/zinc/86/92/61/712869261.db2.gz GJOHPBOWAWWECT-MDZLAQPJSA-N 0 1 236.315 2.030 20 0 BEADMN Cn1ncc(CNC2(C)CC(F)(F)C2)c1Cl ZINC000720934016 712879886 /nfs/dbraw/zinc/87/98/86/712879886.db2.gz BLNRGFUJUARXDC-UHFFFAOYSA-N 0 1 249.692 2.351 20 0 BEADMN Cc1cc(F)cnc1N1C[C@@H](C)N(C)C[C@@H]1C ZINC001164636552 719170006 /nfs/dbraw/zinc/17/00/06/719170006.db2.gz MOJFLKKCDHHPOE-MNOVXSKESA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1nccc(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000351509394 719205869 /nfs/dbraw/zinc/20/58/69/719205869.db2.gz LNDMLTPEKMRRPU-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1ccnc(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC001164638780 719218896 /nfs/dbraw/zinc/21/88/96/719218896.db2.gz PEAUMQDVZRSYEW-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN C[C@@H]1CN(CCOc2ccccc2)C[C@@H]1F ZINC001209295067 957384792 /nfs/dbraw/zinc/38/47/92/957384792.db2.gz DFLLRPCIVTUTKR-YPMHNXCESA-N 0 1 223.291 2.355 20 0 BEADMN CSc1nccc(CN2CCCC23CC3)n1 ZINC001140033284 957389039 /nfs/dbraw/zinc/38/90/39/957389039.db2.gz VLUZIZPSPQDPPQ-UHFFFAOYSA-N 0 1 235.356 2.327 20 0 BEADMN Cc1cc(N)ncc1Nc1cncs1 ZINC001209968218 957586120 /nfs/dbraw/zinc/58/61/20/957586120.db2.gz SLMFGPOTTZTAPN-UHFFFAOYSA-N 0 1 206.274 2.172 20 0 BEADMN CCC(C)=Nc1cccnc1OC1COC1 ZINC001210793050 957890216 /nfs/dbraw/zinc/89/02/16/957890216.db2.gz TZCJJAAGVIKCLS-YCRREMRBSA-N 0 1 220.272 2.195 20 0 BEADMN CCC(C)=Nc1ccc(Cl)nc1C(N)=O ZINC001210793114 957891596 /nfs/dbraw/zinc/89/15/96/957891596.db2.gz VZHBTOULDJTTRF-ZZXKWVIFSA-N 0 1 225.679 2.170 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccsc1 ZINC000086258572 957964197 /nfs/dbraw/zinc/96/41/97/957964197.db2.gz UQFQWVMADCIKJA-SCZZXKLOSA-N 0 1 225.313 2.043 20 0 BEADMN CCc1cccnc1Nc1cncn1C ZINC001211246825 958106328 /nfs/dbraw/zinc/10/63/28/958106328.db2.gz UADRTPHLDXVXSA-UHFFFAOYSA-N 0 1 202.261 2.121 20 0 BEADMN Cc1cc(CN2CCCCC(F)(F)C2)n[nH]1 ZINC001203069929 960610092 /nfs/dbraw/zinc/61/00/92/960610092.db2.gz FPYKMZIGIAJJTK-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN c1coc(CN2CC[C@@H]3CCC[C@H]3C2)n1 ZINC001141004746 960803530 /nfs/dbraw/zinc/80/35/30/960803530.db2.gz LOQIJHCHJFBVIO-QWRGUYRKSA-N 0 1 206.289 2.297 20 0 BEADMN C[C@H]1CCN1Cc1[nH]cnc1C(C)(C)C ZINC001142213250 961359733 /nfs/dbraw/zinc/35/97/33/961359733.db2.gz RZJRRLNDZMHDBK-VIFPVBQESA-N 0 1 207.321 2.301 20 0 BEADMN Cc1cc2c(cn1)[C@@H](NC(=O)C(F)(F)F)CC2 ZINC001142771061 961728731 /nfs/dbraw/zinc/72/87/31/961728731.db2.gz QVEAFMNSYKRDPJ-VIFPVBQESA-N 0 1 244.216 2.056 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)cc(OC)c1 ZINC001143163400 961897472 /nfs/dbraw/zinc/89/74/72/961897472.db2.gz FKZYPTLCDBDQQY-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167957651 962821900 /nfs/dbraw/zinc/82/19/00/962821900.db2.gz WXRBAXRUPRDTAA-YFKTTZPYSA-N 0 1 239.359 2.447 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(OC)C1 ZINC000300303560 963000048 /nfs/dbraw/zinc/00/00/48/963000048.db2.gz LLVOHQWDKQNAHS-YPMHNXCESA-N 0 1 243.347 2.131 20 0 BEADMN CSCCC[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000300815772 963032664 /nfs/dbraw/zinc/03/26/64/963032664.db2.gz HZHGCFMKGLLNNC-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN CC1(C(=O)[O-])C[NH+](Cc2ccsc2Cl)C1 ZINC000306965135 963206039 /nfs/dbraw/zinc/20/60/39/963206039.db2.gz JZFQQCNRWIYXSV-UHFFFAOYSA-N 0 1 245.731 2.308 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000307387198 963214655 /nfs/dbraw/zinc/21/46/55/963214655.db2.gz MHXYAKPJFYJESC-CYNRKNSPSA-N 0 1 211.305 2.138 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCCCF ZINC000308775885 963302884 /nfs/dbraw/zinc/30/28/84/963302884.db2.gz AGSWDQSARMADPB-SNVBAGLBSA-N 0 1 217.284 2.065 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000308850861 963311218 /nfs/dbraw/zinc/31/12/18/963311218.db2.gz OGPCQWMSQACEPT-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](C[N@@H+](C)CC1(C)CCCC1)C(=O)[O-] ZINC000308975379 963320067 /nfs/dbraw/zinc/32/00/67/963320067.db2.gz BSIACPFJCHTBJY-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCC2(CCCC2)C1 ZINC000309128450 963326859 /nfs/dbraw/zinc/32/68/59/963326859.db2.gz BQFNJEXKGZGKER-NSHDSACASA-N 0 1 223.316 2.116 20 0 BEADMN Cc1ccoc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000309357709 963343123 /nfs/dbraw/zinc/34/31/23/963343123.db2.gz OFNSPOSUXJSKOK-UHFFFAOYSA-N 0 1 225.288 2.275 20 0 BEADMN Cc1cc(CN2C[C@@H](O)C[C@H]2C)cc(F)c1F ZINC001143597669 964364467 /nfs/dbraw/zinc/36/44/67/964364467.db2.gz ULGMRLVUCHGVOH-KOLCDFICSA-N 0 1 241.281 2.228 20 0 BEADMN Cc1ncc(Nc2cnc(C)n2C)s1 ZINC001212133245 964937391 /nfs/dbraw/zinc/93/73/91/964937391.db2.gz TYXZCOKASVBFDD-UHFFFAOYSA-N 0 1 208.290 2.237 20 0 BEADMN CN(Cc1cc2ccoc2cn1)C1CC1 ZINC001232549932 965381614 /nfs/dbraw/zinc/38/16/14/965381614.db2.gz OGEWLYORKWSJLS-UHFFFAOYSA-N 0 1 202.257 2.422 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CCN1C ZINC001233262237 965487218 /nfs/dbraw/zinc/48/72/18/965487218.db2.gz XIZWOALUAQIHKZ-LLVKDONJSA-N 0 1 236.384 2.111 20 0 BEADMN C[C@@H]1CN(Cc2ccc([S-])cc2)CC[N@@H+]1C ZINC001233262237 965487223 /nfs/dbraw/zinc/48/72/23/965487223.db2.gz XIZWOALUAQIHKZ-LLVKDONJSA-N 0 1 236.384 2.111 20 0 BEADMN C[C@@H]1CN(Cc2ccc([S-])cc2)CC[N@H+]1C ZINC001233262237 965487235 /nfs/dbraw/zinc/48/72/35/965487235.db2.gz XIZWOALUAQIHKZ-LLVKDONJSA-N 0 1 236.384 2.111 20 0 BEADMN COC(C)(C)CNc1cccn2cncc12 ZINC001165852679 966174309 /nfs/dbraw/zinc/17/43/09/966174309.db2.gz DFUAUYAKQMBAFV-UHFFFAOYSA-N 0 1 219.288 2.171 20 0 BEADMN Cc1cccc([C@H](O)CN[C@@H](C)c2ncc[nH]2)c1 ZINC000285909327 1165742926 /nfs/dbraw/zinc/74/29/26/1165742926.db2.gz BUAIFPRXGBEJKG-WCQYABFASA-N 0 1 245.326 2.102 20 0 BEADMN Cc1cc(C)nc(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001166968467 966494704 /nfs/dbraw/zinc/49/47/04/966494704.db2.gz KLGGKOSUAFUEAP-RYUDHWBXSA-N 0 1 220.316 2.312 20 0 BEADMN FC1(F)C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC001204241219 966934764 /nfs/dbraw/zinc/93/47/64/966934764.db2.gz APFXLWRORREKFC-ZJUUUORDSA-N 0 1 213.227 2.367 20 0 BEADMN CCSC[C@@H](C)N1CCC(=O)C[C@H]1C ZINC000253028159 1165835884 /nfs/dbraw/zinc/83/58/84/1165835884.db2.gz OZPRVVIHKQRYKE-NXEZZACHSA-N 0 1 215.362 2.181 20 0 BEADMN CS[C@H](C)CCN1CCC(=O)C[C@H]1C ZINC000253026968 1165835272 /nfs/dbraw/zinc/83/52/72/1165835272.db2.gz NWIHKZGEFSUFSI-NXEZZACHSA-N 0 1 215.362 2.181 20 0 BEADMN c1nc(C2CC2)nc2c1CCN(CC1CC1)C2 ZINC000143548000 1165842001 /nfs/dbraw/zinc/84/20/01/1165842001.db2.gz QQWMKJMGBGVWPE-UHFFFAOYSA-N 0 1 229.327 2.122 20 0 BEADMN Cc1ncn(-c2ccc(Cl)nc2C)c1N ZINC001250153346 967447501 /nfs/dbraw/zinc/44/75/01/967447501.db2.gz VAYVCMSAKJIDBF-UHFFFAOYSA-N 0 1 222.679 2.120 20 0 BEADMN CCOc1cc(C)ccc1CN(C)CCOC ZINC001250170862 967469845 /nfs/dbraw/zinc/46/98/45/967469845.db2.gz DYBYBLPGYAFLTQ-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN CN(Cc1sccc1Cl)CC1COC1 ZINC001205340045 967556723 /nfs/dbraw/zinc/55/67/23/967556723.db2.gz ZMXPJPQYIAXAPL-UHFFFAOYSA-N 0 1 231.748 2.480 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCCC(F)(F)F ZINC000123724404 967617190 /nfs/dbraw/zinc/61/71/90/967617190.db2.gz IUQXWUITISJVFQ-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN CC1(C)CC[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000231053800 967737998 /nfs/dbraw/zinc/73/79/98/967737998.db2.gz WNMPBTABZLGIRK-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205670010 967753123 /nfs/dbraw/zinc/75/31/23/967753123.db2.gz GMJBBCAPLVGFGL-LLVKDONJSA-N 0 1 212.268 2.389 20 0 BEADMN CCc1nc(CNC[C@@H](C)C[C@@H](C)O)cs1 ZINC000077428586 1165890878 /nfs/dbraw/zinc/89/08/78/1165890878.db2.gz KKNRFHLCPSRURQ-VHSXEESVSA-N 0 1 242.388 2.202 20 0 BEADMN CCc1nc(CNC[C@H](C)C[C@@H](C)O)cs1 ZINC000077428592 1165889721 /nfs/dbraw/zinc/88/97/21/1165889721.db2.gz KKNRFHLCPSRURQ-NXEZZACHSA-N 0 1 242.388 2.202 20 0 BEADMN Cc1cnccc1CN1C[C@H](F)C[C@H]1C ZINC001205827812 967843309 /nfs/dbraw/zinc/84/33/09/967843309.db2.gz CWOPLQCEESJPAM-ZYHUDNBSSA-N 0 1 208.280 2.322 20 0 BEADMN Cn1ncc(Nc2cc3cc(F)ccc3o2)n1 ZINC001210726698 1165942016 /nfs/dbraw/zinc/94/20/16/1165942016.db2.gz STVZIEVHPUXTQO-UHFFFAOYSA-N 0 1 232.218 2.444 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001670675836 1165986987 /nfs/dbraw/zinc/98/69/87/1165986987.db2.gz AVQZNNSQEVSUGZ-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ncsc1CN1CC2(CCC2)C1 ZINC001206863273 968506833 /nfs/dbraw/zinc/50/68/33/968506833.db2.gz MGQSFVIFXDYSHL-UHFFFAOYSA-N 0 1 208.330 2.437 20 0 BEADMN Nc1ccc(CN2CCCOCC2)c(Cl)c1 ZINC000061914615 1166017787 /nfs/dbraw/zinc/01/77/87/1166017787.db2.gz CDLVOBXISKPJRB-UHFFFAOYSA-N 0 1 240.734 2.145 20 0 BEADMN CCc1nccc(CN2CCC(CF)CC2)n1 ZINC001207088789 968623438 /nfs/dbraw/zinc/62/34/38/968623438.db2.gz TWMTXVHDFJCSQP-UHFFFAOYSA-N 0 1 237.322 2.221 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1C[C@H]2CCCC[C@H]21 ZINC000706951826 1166053285 /nfs/dbraw/zinc/05/32/85/1166053285.db2.gz ZWYKMLZTULRGCL-UPJWGTAASA-N 0 1 239.359 2.449 20 0 BEADMN C[C@@H](CN(C)C1COC1)c1ccccc1 ZINC001207909479 968921299 /nfs/dbraw/zinc/92/12/99/968921299.db2.gz AXIGFRMAWJZEHS-NSHDSACASA-N 0 1 205.301 2.121 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](N)c1ccccc1 ZINC000129352674 1166174392 /nfs/dbraw/zinc/17/43/92/1166174392.db2.gz ZSUIQWIJVNAZTH-OBJOEFQTSA-N 0 1 246.354 2.476 20 0 BEADMN CCC[C@H](O)CNCc1c(F)cc(F)cc1F ZINC001252800196 968983836 /nfs/dbraw/zinc/98/38/36/968983836.db2.gz GOOXASQUYJMPKF-VIFPVBQESA-N 0 1 247.260 2.355 20 0 BEADMN CCOC(=O)C1CN(CCCC2CCCC2)C1 ZINC001208091429 968994700 /nfs/dbraw/zinc/99/47/00/968994700.db2.gz FKPLLTQIMFBPPP-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN CC1CN(CCc2c(F)cccc2F)C1 ZINC001208111358 969009327 /nfs/dbraw/zinc/00/93/27/969009327.db2.gz BJMGPXBMYSBWRZ-UHFFFAOYSA-N 0 1 211.255 2.459 20 0 BEADMN CC/C=C\CCCN1CC[C@@H](O)[C@H](F)C1 ZINC001208133447 969037608 /nfs/dbraw/zinc/03/76/08/969037608.db2.gz DERIMAHMUNXSQR-OPVGQWETSA-N 0 1 215.312 2.138 20 0 BEADMN Cc1ncc(CNCc2ccncc2C)s1 ZINC000129707173 1166211400 /nfs/dbraw/zinc/21/14/00/1166211400.db2.gz GXLSFEKOBKEQOM-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CS[C@H](C)CCN(C)Cc1ccncn1 ZINC001208150712 969071261 /nfs/dbraw/zinc/07/12/61/969071261.db2.gz HIMYLWOIMDNUPI-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN C[C@H](CN(C)c1nccnc1CN)C(C)(C)C ZINC000399462285 1166236332 /nfs/dbraw/zinc/23/63/32/1166236332.db2.gz VROSIRZPTGFGHR-SNVBAGLBSA-N 0 1 236.363 2.054 20 0 BEADMN C[C@H](CCN1CCCNC(=O)C1)CC(C)(C)C ZINC001208656063 969186106 /nfs/dbraw/zinc/18/61/06/969186106.db2.gz UWCWAFOLFXLBEI-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(F)ccc2N)C1 ZINC000230228021 1166281042 /nfs/dbraw/zinc/28/10/42/1166281042.db2.gz NZZBQMMTWDELSF-LBPRGKRZSA-N 0 1 238.306 2.019 20 0 BEADMN Clc1ccc(CCN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001208741129 969229654 /nfs/dbraw/zinc/22/96/54/969229654.db2.gz QQWJXSFMFWNBMQ-STQMWFEESA-N 0 1 237.730 2.356 20 0 BEADMN Cc1ccsc1CN1CC2(CC(O)C2)C1 ZINC001204018729 969263384 /nfs/dbraw/zinc/26/33/84/969263384.db2.gz CCMPKKITFTUFQJ-UHFFFAOYSA-N 0 1 223.341 2.013 20 0 BEADMN c1n[nH]cc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934699059 1166315853 /nfs/dbraw/zinc/31/58/53/1166315853.db2.gz SPXZGYLMPIIWBO-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN CC(C)[C@H](O)CN1CCCC(F)(F)[C@H](F)C1 ZINC001253757290 969377659 /nfs/dbraw/zinc/37/76/59/969377659.db2.gz OLFVXAOTOMRWQZ-NXEZZACHSA-N 0 1 239.281 2.073 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000228024035 1166380620 /nfs/dbraw/zinc/38/06/20/1166380620.db2.gz HJHRIXUONNHQIY-VXGBXAGGSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCSCC1 ZINC000306605905 1166391781 /nfs/dbraw/zinc/39/17/81/1166391781.db2.gz QLKBWEJZMIJXJX-SSDOTTSWSA-N 0 1 213.268 2.376 20 0 BEADMN Cc1noc([C@@H](N[C@@H](C)C2CC2)C(C)C)n1 ZINC000167719531 1166397370 /nfs/dbraw/zinc/39/73/70/1166397370.db2.gz HGHYYUCXHZURJZ-KWQFWETISA-N 0 1 223.320 2.463 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CCSC2)on1 ZINC000167734653 1166398479 /nfs/dbraw/zinc/39/84/79/1166398479.db2.gz UWPFKVQMOKWKAA-SECBINFHSA-N 0 1 226.345 2.393 20 0 BEADMN Cc1ncc(CN2CC[C@@H](C(F)(F)F)C2)[nH]1 ZINC000724776056 1166409921 /nfs/dbraw/zinc/40/99/21/1166409921.db2.gz UXFACHRTVRZEFS-MRVPVSSYSA-N 0 1 233.237 2.102 20 0 BEADMN CCC(=O)CCN1CC(C)(C)OC(C)(C)C1 ZINC000190345626 1166413232 /nfs/dbraw/zinc/41/32/32/1166413232.db2.gz QRRUQHSBZDLDQO-UHFFFAOYSA-N 0 1 227.348 2.245 20 0 BEADMN Cc1cnc(NCC2(CO)CCC2)cc1C ZINC001156279316 969553312 /nfs/dbraw/zinc/55/33/12/969553312.db2.gz FKHDGXHXOVEDAC-UHFFFAOYSA-N 0 1 220.316 2.273 20 0 BEADMN CSCC[C@@H](C)N1CCC(=O)C[C@H]1C ZINC000252960442 1166457067 /nfs/dbraw/zinc/45/70/67/1166457067.db2.gz URCDKFFIGFPYKP-NXEZZACHSA-N 0 1 215.362 2.181 20 0 BEADMN c1nc2ccc(Nc3cnns3)cc2[nH]1 ZINC001209844447 969654314 /nfs/dbraw/zinc/65/43/14/969654314.db2.gz NIMBPFAGLORYOI-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN COCC[C@@H](C)N[C@@H](c1nc(C)no1)C(C)C ZINC000168061465 1166487371 /nfs/dbraw/zinc/48/73/71/1166487371.db2.gz OWOFMHCSYQKHJO-MWLCHTKSSA-N 0 1 241.335 2.090 20 0 BEADMN CO[C@H](C)c1cccc(-n2cncc2N)c1 ZINC001209946548 969707069 /nfs/dbraw/zinc/70/70/69/969707069.db2.gz CXFZQLIFXILYRY-SECBINFHSA-N 0 1 217.272 2.162 20 0 BEADMN CC(C)c1cc(=O)n(CC(F)(F)F)[nH]1 ZINC000307037554 1166538254 /nfs/dbraw/zinc/53/82/54/1166538254.db2.gz GKQZCJZOHDBLLV-UHFFFAOYSA-N 0 1 208.183 2.274 20 0 BEADMN COc1cccc(CNC/C=C/C2CC2)n1 ZINC000378662945 1166548719 /nfs/dbraw/zinc/54/87/19/1166548719.db2.gz CVBKLJTUHDFVTA-ONEGZZNKSA-N 0 1 218.300 2.146 20 0 BEADMN CCCC[C@H](C)n1nc(COC)c2c1CNC2 ZINC001255324438 970102348 /nfs/dbraw/zinc/10/23/48/970102348.db2.gz DMTTVGAVVSJLCG-JTQLQIEISA-N 0 1 237.347 2.384 20 0 BEADMN Cc1nc(Cl)c(Nc2cncn2C)nc1C ZINC001211247115 970194731 /nfs/dbraw/zinc/19/47/31/970194731.db2.gz IYIUCLGYRDPQPH-UHFFFAOYSA-N 0 1 237.694 2.224 20 0 BEADMN FC(F)(F)C1CCC(N2CC3(COC3)C2)CC1 ZINC001255516278 970283475 /nfs/dbraw/zinc/28/34/75/970283475.db2.gz NPLRDQZFRVBNIO-UHFFFAOYSA-N 0 1 249.276 2.440 20 0 BEADMN Cc1cncc(Nc2cncn2C)c1C ZINC001213524701 970344574 /nfs/dbraw/zinc/34/45/74/970344574.db2.gz FACSCXKPCLDNQH-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN CC[C@@H](C)C(=O)NC1CN(CC2CCCC2)C1 ZINC001732093955 1166779245 /nfs/dbraw/zinc/77/92/45/1166779245.db2.gz JXDDIHFVXHFHQD-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CC(=O)CN(C)[C@H](C)Cc1ccc(F)cc1 ZINC001255868621 970532271 /nfs/dbraw/zinc/53/22/71/970532271.db2.gz OHKKDHQPTZBCHI-SNVBAGLBSA-N 0 1 223.291 2.278 20 0 BEADMN c1cc2n(n1)CCN(C1CCCCCC1)C2 ZINC001255893833 970557806 /nfs/dbraw/zinc/55/78/06/970557806.db2.gz PKJUGEJXRISLDW-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CC1(CNc2ccnc(N)n2)CCCC1 ZINC000087830286 1166862191 /nfs/dbraw/zinc/86/21/91/1166862191.db2.gz NSVRBJPXODERQP-UHFFFAOYSA-N 0 1 206.293 2.051 20 0 BEADMN CCN1CC[C@H](Oc2cccnc2Cl)C1 ZINC001225585902 1166988398 /nfs/dbraw/zinc/98/83/98/1166988398.db2.gz BUTNOUMWEVOSCQ-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN CC1(C)CC(=O)N1CN1CCC(CCF)CC1 ZINC001332318502 975054530 /nfs/dbraw/zinc/05/45/30/975054530.db2.gz MZPWJOPDDCFBOL-UHFFFAOYSA-N 0 1 242.338 2.026 20 0 BEADMN Cc1cnn(C)c1CNCc1cnc(C)cc1C ZINC000397493985 1166996737 /nfs/dbraw/zinc/99/67/37/1166996737.db2.gz NVWPOVQIMRWSLT-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN CN1CC[C@H](Oc2cnc(Cl)cc2Cl)C1 ZINC001226890293 975138490 /nfs/dbraw/zinc/13/84/90/975138490.db2.gz VBUWVBMDCDGQBS-ZETCQYMHSA-N 0 1 247.125 2.471 20 0 BEADMN CCSC[C@@H](C)N1CCCC(=O)CC1 ZINC001173299574 975190920 /nfs/dbraw/zinc/19/09/20/975190920.db2.gz COEWPDQFVHEBCH-SNVBAGLBSA-N 0 1 215.362 2.183 20 0 BEADMN CC(C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976596 975195372 /nfs/dbraw/zinc/19/53/72/975195372.db2.gz QCMGEMCULIAIRV-UHFFFAOYSA-N 0 1 204.229 2.123 20 0 BEADMN c1n[nH]nc1CNCc1cccc2ccccc21 ZINC000398294903 1167050695 /nfs/dbraw/zinc/05/06/95/1167050695.db2.gz CTAONPZFRTUHFR-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@@H]1NCc1csnn1 ZINC000398327402 1167054559 /nfs/dbraw/zinc/05/45/59/1167054559.db2.gz JLAISSVITJCQIQ-SCZZXKLOSA-N 0 1 225.361 2.452 20 0 BEADMN CCCC(C)(C)C(=O)Nc1nnc(CC)[nH]1 ZINC001332593615 975226705 /nfs/dbraw/zinc/22/67/05/975226705.db2.gz CKEJKDJKWWEGRH-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCCC(C)(C)C(=O)Nc1nc(CC)n[nH]1 ZINC001332593615 975226712 /nfs/dbraw/zinc/22/67/12/975226712.db2.gz CKEJKDJKWWEGRH-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000894611971 1167076603 /nfs/dbraw/zinc/07/66/03/1167076603.db2.gz BLKDHJNPFJJPCX-BXUZGUMPSA-N 0 1 247.338 2.231 20 0 BEADMN CN1CC[C@@H](Oc2ncc(Cl)cc2Cl)C1 ZINC001227180491 975305398 /nfs/dbraw/zinc/30/53/98/975305398.db2.gz QEJCCQVNCACQFL-MRVPVSSYSA-N 0 1 247.125 2.471 20 0 BEADMN CCOC(=O)C[C@H]1CC[C@H](NCC(C)(F)F)C1 ZINC001173621089 975488592 /nfs/dbraw/zinc/48/85/92/975488592.db2.gz TYXDJRAQNRKZJX-UWVGGRQHSA-N 0 1 249.301 2.353 20 0 BEADMN C[C@@H](NCc1cncs1)c1ccc[nH]1 ZINC000308573100 1167191791 /nfs/dbraw/zinc/19/17/91/1167191791.db2.gz CRGMXOGPKVYEGI-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCCC[C@H]1F ZINC001227602311 975575335 /nfs/dbraw/zinc/57/53/35/975575335.db2.gz SGOMIOVLXBPEGK-HTQZYQBOSA-N 0 1 243.307 2.128 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001227601844 975574239 /nfs/dbraw/zinc/57/42/39/975574239.db2.gz MYXAJDINAWNWLH-HRDYMLBCSA-N 0 1 237.328 2.036 20 0 BEADMN COCCOCCNCc1cscc1Cl ZINC000308927557 1167221441 /nfs/dbraw/zinc/22/14/41/1167221441.db2.gz IPJMIJNCMBMGSU-UHFFFAOYSA-N 0 1 249.763 2.154 20 0 BEADMN Cc1cc(CN2CCC(CCF)CC2)n[nH]1 ZINC001333368906 975712983 /nfs/dbraw/zinc/71/29/83/975712983.db2.gz OHCLZWMTQQPBHA-UHFFFAOYSA-N 0 1 225.311 2.290 20 0 BEADMN COc1nc(O[C@H](C)C2CCCC2)cc(=O)[nH]1 ZINC001227000289 1167237055 /nfs/dbraw/zinc/23/70/55/1167237055.db2.gz HRACXVNBWHLYDI-MRVPVSSYSA-N 0 1 238.287 2.148 20 0 BEADMN CC(=O)c1ccc(Nc2nnco2)cc1 ZINC001173893872 975879925 /nfs/dbraw/zinc/87/99/25/975879925.db2.gz BPLMDIFJOBYKDW-UHFFFAOYSA-N 0 1 203.201 2.016 20 0 BEADMN CN(CCCC(F)(F)F)Cc1cc[nH]n1 ZINC001333612549 975892703 /nfs/dbraw/zinc/89/27/03/975892703.db2.gz QUPQLKWLKMIWTO-UHFFFAOYSA-N 0 1 221.226 2.184 20 0 BEADMN Fc1cnc(Cl)cc1Nc1ccncc1 ZINC001173881752 975923612 /nfs/dbraw/zinc/92/36/12/975923612.db2.gz IOHXJUURWFLZIT-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CCO[C@@H]1C ZINC001333877254 976140979 /nfs/dbraw/zinc/14/09/79/976140979.db2.gz WGLKWGKWEQOUTD-BXKDBHETSA-N 0 1 239.290 2.101 20 0 BEADMN Cc1ncn(-c2cc(C)cc(F)c2)c1N ZINC001174529853 976809825 /nfs/dbraw/zinc/80/98/25/976809825.db2.gz HEODPWZCGJFIKT-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN O=c1[nH]cnc(OC(C2CC2)C2CC2)c1Cl ZINC001230015002 977064466 /nfs/dbraw/zinc/06/44/66/977064466.db2.gz RUKBGDMKEOGWJV-UHFFFAOYSA-N 0 1 240.690 2.403 20 0 BEADMN CCC[C@@H](CC)Oc1nc(C(=O)OC)c[nH]1 ZINC001230280088 977155749 /nfs/dbraw/zinc/15/57/49/977155749.db2.gz LVZAMBPUJUBMNI-MRVPVSSYSA-N 0 1 226.276 2.154 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(CCC(C)C)CC1 ZINC001687424783 1167490094 /nfs/dbraw/zinc/49/00/94/1167490094.db2.gz JOSSTDIPJFAVSE-WLRTZDKTSA-N 0 1 238.375 2.143 20 0 BEADMN CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179554 977526448 /nfs/dbraw/zinc/52/64/48/977526448.db2.gz UBBGJLXZMBSNBL-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1C[C@H](NCCC(F)F)c2nccn21 ZINC000379166870 1167521805 /nfs/dbraw/zinc/52/18/05/1167521805.db2.gz NSRXSUQRFCOEKC-YUMQZZPRSA-N 0 1 215.247 2.134 20 0 BEADMN Cc1cc(C)nc(NC2=CCCN(C)C2)c1 ZINC001175572285 977563216 /nfs/dbraw/zinc/56/32/16/977563216.db2.gz DSUIAGRJIPEEKJ-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cnc2occc2c1 ZINC001142582944 1167556199 /nfs/dbraw/zinc/55/61/99/1167556199.db2.gz NYZKUIYSFDQCGP-UHFFFAOYSA-N 0 1 247.298 2.107 20 0 BEADMN Cc1ncc(Nc2ccc(F)cn2)n1C ZINC001175852193 977785050 /nfs/dbraw/zinc/78/50/50/977785050.db2.gz ZEULNLSYHRCERK-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN CC(=O)Nc1ccc(CN(C)CCF)c(C)c1 ZINC001232190305 977920102 /nfs/dbraw/zinc/92/01/02/977920102.db2.gz TWRPEZRXBFYIIJ-UHFFFAOYSA-N 0 1 238.306 2.355 20 0 BEADMN C(c1nc(C2CC2)no1)c1[nH]nc2c1CCCC2 ZINC000349941079 1167664844 /nfs/dbraw/zinc/66/48/44/1167664844.db2.gz LSWCONJFLBRGMG-UHFFFAOYSA-N 0 1 244.298 2.140 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)cc1F ZINC001176412343 978082635 /nfs/dbraw/zinc/08/26/35/978082635.db2.gz HFQGYQZKXMJSKN-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Cc1ncc(CN2CCCC(F)(F)[C@@H](F)C2)[nH]1 ZINC001232461182 978097727 /nfs/dbraw/zinc/09/77/27/978097727.db2.gz YICQBIVUSLSTKI-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN CSC1CCN(Cc2c[nH]c(C)n2)CC1 ZINC001232463781 978113344 /nfs/dbraw/zinc/11/33/44/978113344.db2.gz NIKLBDCIZQKXJK-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(Cl)c2C)C1 ZINC001232752214 978252426 /nfs/dbraw/zinc/25/24/26/978252426.db2.gz SUYXQTBXDVUMHL-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN CCCn1cnc(CN2CC[C@H](C)C2)c1 ZINC001232796988 978282312 /nfs/dbraw/zinc/28/23/12/978282312.db2.gz GKFDBRTYGARCLC-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)CC2CCC2)[nH]1 ZINC001337360553 978305920 /nfs/dbraw/zinc/30/59/20/978305920.db2.gz GXCKHQZBYLKTDR-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN C[C@H]1COCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258884 978517139 /nfs/dbraw/zinc/51/71/39/978517139.db2.gz XWEMDTCSHNPRNB-LLVKDONJSA-N 0 1 237.368 2.444 20 0 BEADMN COC1CCN(Cc2sncc2C)CC1 ZINC001233318300 978549467 /nfs/dbraw/zinc/54/94/67/978549467.db2.gz YMVPSYITDSGUEN-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CCCN(CCOC)Cc1sncc1C ZINC001233318140 978551896 /nfs/dbraw/zinc/55/18/96/978551896.db2.gz RLQTVSCWZTXLJG-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN Cc1cnsc1CN1CCC(F)CC1 ZINC001233318282 978554090 /nfs/dbraw/zinc/55/40/90/978554090.db2.gz XTXCGPOELYOSNG-UHFFFAOYSA-N 0 1 214.309 2.385 20 0 BEADMN Cc1cnsc1CN1CCCC2(COC2)C1 ZINC001233318784 978552303 /nfs/dbraw/zinc/55/23/03/978552303.db2.gz QIYVCGPTCFAXNF-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2sncc2C)C1 ZINC001233321243 978555346 /nfs/dbraw/zinc/55/53/46/978555346.db2.gz GHDRJGXIKCHQIE-NSHDSACASA-N 0 1 238.356 2.253 20 0 BEADMN C[C@H]1CC[C@H](Oc2n[nH]c(=O)cc2Cl)C1 ZINC001233587673 978636681 /nfs/dbraw/zinc/63/66/81/978636681.db2.gz WTFKTPXTQBNZBU-BQBZGAKWSA-N 0 1 228.679 2.403 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1C=CCCC1 ZINC001339088505 978790011 /nfs/dbraw/zinc/79/00/11/978790011.db2.gz WCUFOXFGUVLSNN-VXGBXAGGSA-N 0 1 236.359 2.084 20 0 BEADMN COc1cc(C)cc(F)c1O[C@H]1CCN(C)C1 ZINC001234226701 978796390 /nfs/dbraw/zinc/79/63/90/978796390.db2.gz ADVOLRINQQQUQF-JTQLQIEISA-N 0 1 239.290 2.226 20 0 BEADMN CCc1cccc(CN2CCOC[C@@H](C)C2)n1 ZINC001235255977 979010279 /nfs/dbraw/zinc/01/02/79/979010279.db2.gz WMAAGORJXZUAED-LBPRGKRZSA-N 0 1 234.343 2.112 20 0 BEADMN COc1cc(CN2CCC[C@H]2C)c(F)cn1 ZINC001235318139 979022076 /nfs/dbraw/zinc/02/20/76/979022076.db2.gz XBCNTVOKIPTRBH-SECBINFHSA-N 0 1 224.279 2.214 20 0 BEADMN Cc1ncn(C)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC001235539544 979079676 /nfs/dbraw/zinc/07/96/76/979079676.db2.gz VMANPIMEZSGQEH-VIFPVBQESA-N 0 1 243.301 2.206 20 0 BEADMN C[C@@H]1CCN(Cn2cc[nH]c2=S)C[C@@H]1C ZINC000179736743 1168223517 /nfs/dbraw/zinc/22/35/17/1168223517.db2.gz QTYPOCQQWPMPPY-ZJUUUORDSA-N 0 1 225.361 2.107 20 0 BEADMN CC(C)Oc1cc(F)ccc1CN(C)CCO ZINC001236259122 979481711 /nfs/dbraw/zinc/48/17/11/979481711.db2.gz PYCFLXFHMREVBK-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN CC(C)N(C)Cc1cn2ccccc2n1 ZINC000152309330 979547704 /nfs/dbraw/zinc/54/77/04/979547704.db2.gz ZJDUZHOWOMHQHZ-UHFFFAOYSA-N 0 1 203.289 2.175 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(CF)cc1 ZINC001604167302 979591464 /nfs/dbraw/zinc/59/14/64/979591464.db2.gz GAYPOUVXUNWMCC-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001604254935 979607166 /nfs/dbraw/zinc/60/71/66/979607166.db2.gz UAPWXFLZQQQDLO-DJLDLDEBSA-N 0 1 249.301 2.319 20 0 BEADMN CC(C)OC(=O)Cc1ccc2nc[nH]c2c1 ZINC001250085799 979612516 /nfs/dbraw/zinc/61/25/16/979612516.db2.gz DCBDSTOSWQDRRD-UHFFFAOYSA-N 0 1 218.256 2.057 20 0 BEADMN C[C@H]1CC[N@@H+](C[Si](C)(C)C)[C@@H](C(=O)[O-])C1 ZINC001604753634 979716908 /nfs/dbraw/zinc/71/69/08/979716908.db2.gz GGARYYHNZUZOHA-VHSXEESVSA-N 0 1 229.396 2.049 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC001604925411 979774294 /nfs/dbraw/zinc/77/42/94/979774294.db2.gz UHYRWOXTFPVALZ-XHNCKOQMSA-N 0 1 235.274 2.073 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc(O)c1 ZINC000216340883 1168341958 /nfs/dbraw/zinc/34/19/58/1168341958.db2.gz HHKJUGFVNOTIII-UHFFFAOYSA-N 0 1 225.251 2.313 20 0 BEADMN Cc1c(CN(C)[C@@H]2CCOC2)ccc(F)c1F ZINC001237162789 979825012 /nfs/dbraw/zinc/82/50/12/979825012.db2.gz PLIMHIHROXSUGJ-LLVKDONJSA-N 0 1 241.281 2.494 20 0 BEADMN COc1ccc2nc(-c3cnccn3)[nH]c2c1 ZINC000086576610 1168346970 /nfs/dbraw/zinc/34/69/70/1168346970.db2.gz SXCLLEIDCMFGSB-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC[C@H]1CCC[N@H+]1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605167015 979827204 /nfs/dbraw/zinc/82/72/04/979827204.db2.gz UXPHMZXTCWSUPX-WDEREUQCSA-N 0 1 239.315 2.008 20 0 BEADMN CC/C=C\C[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC001605185805 979833081 /nfs/dbraw/zinc/83/30/81/979833081.db2.gz CXGPCNAEXZRLSJ-UMBAGQNISA-N 0 1 225.313 2.430 20 0 BEADMN C[C@@H]1CN(CC2OC=CC2=S)C[C@H](C)O1 ZINC001237183654 979833406 /nfs/dbraw/zinc/83/34/06/979833406.db2.gz UAHWCXKHRYDDSB-DTORHVGOSA-N 0 1 227.329 2.178 20 0 BEADMN CCn1ccnc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000711487855 1168405640 /nfs/dbraw/zinc/40/56/40/1168405640.db2.gz GTLBKGYOGKVGCC-LBPRGKRZSA-N 0 1 249.358 2.094 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@@H](CF)C1 ZINC000711481793 1168406662 /nfs/dbraw/zinc/40/66/62/1168406662.db2.gz OAYSBWNUYQTIAL-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN CCc1ncc(CN2CC[C@H]3OCC[C@H]32)s1 ZINC001237822806 980073301 /nfs/dbraw/zinc/07/33/01/980073301.db2.gz HUXNJEBOEPZTNX-GHMZBOCLSA-N 0 1 238.356 2.069 20 0 BEADMN Cc1nccc(NCCc2cccc(O)c2)c1F ZINC001163708534 1168422985 /nfs/dbraw/zinc/42/29/85/1168422985.db2.gz LYNCCIWRUMZHRA-UHFFFAOYSA-N 0 1 246.285 2.311 20 0 BEADMN Cc1c(C)c(CN2CC(CO)C2)ccc1Cl ZINC001238219130 980230072 /nfs/dbraw/zinc/23/00/72/980230072.db2.gz NOGBUCQHKCEAJM-UHFFFAOYSA-N 0 1 239.746 2.381 20 0 BEADMN CN(CCF)Cc1cc(C(C)(C)C)[nH]n1 ZINC001343905222 980274738 /nfs/dbraw/zinc/27/47/38/980274738.db2.gz RHTQEGKEQYDFSD-UHFFFAOYSA-N 0 1 213.300 2.109 20 0 BEADMN CC(C)Oc1cncc(CN2CCCC2)c1 ZINC001238465761 980273132 /nfs/dbraw/zinc/27/31/32/980273132.db2.gz XHPINSIKGYQLCH-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CCC(CC)COC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001239339119 980545100 /nfs/dbraw/zinc/54/51/00/980545100.db2.gz MZVXDIRGFZHVCA-GHMZBOCLSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@H]1CCCOC1 ZINC001169662689 1168498358 /nfs/dbraw/zinc/49/83/58/1168498358.db2.gz UJLCKYRAQYTDQT-NSHDSACASA-N 0 1 235.331 2.047 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC[C@@H]1CC1(F)F ZINC001346169693 980773429 /nfs/dbraw/zinc/77/34/29/980773429.db2.gz VRWOBTDHEYMEOY-UWVGGRQHSA-N 0 1 247.285 2.058 20 0 BEADMN CS[C@H]1CC[C@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC001346231616 980793238 /nfs/dbraw/zinc/79/32/38/980793238.db2.gz DRDDFERCGPKSBA-UWVGGRQHSA-N 0 1 243.372 2.067 20 0 BEADMN CC(C)COCC[C@H](C)N1CCC(=O)C[C@@H]1C ZINC001172470777 1168680389 /nfs/dbraw/zinc/68/03/89/1168680389.db2.gz DHTJMDMVDBYHHV-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)COCC[C@@H](C)N1CCC(=O)C[C@H]1C ZINC001172470770 1168680776 /nfs/dbraw/zinc/68/07/76/1168680776.db2.gz DHTJMDMVDBYHHV-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1[nH]nc(CNC(=O)C2=CCCCC2)c1C ZINC001349146396 981511296 /nfs/dbraw/zinc/51/12/96/981511296.db2.gz CABPKJWJZOQWAX-UHFFFAOYSA-N 0 1 233.315 2.143 20 0 BEADMN Cc1nnc(-c2cccc(Nc3nnco3)c2)o1 ZINC001175988858 1168698957 /nfs/dbraw/zinc/69/89/57/1168698957.db2.gz VDJGWVDLTBWPES-UHFFFAOYSA-N 0 1 243.226 2.172 20 0 BEADMN CC[C@@H](C)OC(=O)Nc1ncc(F)cc1O ZINC001195085625 982068761 /nfs/dbraw/zinc/06/87/61/982068761.db2.gz HGORDXQQLIVXIJ-ZCFIWIBFSA-N 0 1 228.223 2.273 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C)[C@H](OC)C2)o1 ZINC001351373332 982294334 /nfs/dbraw/zinc/29/43/34/982294334.db2.gz DNFQDMSZWATQKH-ZYHUDNBSSA-N 0 1 238.331 2.094 20 0 BEADMN CCc1ncc(CN2CC[C@H](C)[C@H](OC)C2)o1 ZINC001351373329 982298659 /nfs/dbraw/zinc/29/86/59/982298659.db2.gz DNFQDMSZWATQKH-CMPLNLGQSA-N 0 1 238.331 2.094 20 0 BEADMN CC/C=C/CCN1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC001195548166 982318256 /nfs/dbraw/zinc/31/82/56/982318256.db2.gz TZFZJHNPIGGAIP-SDEBKXSHSA-N 0 1 238.375 2.282 20 0 BEADMN CC(C)(C)SCCC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC001588738184 982445997 /nfs/dbraw/zinc/44/59/97/982445997.db2.gz CZTZVVYOVUZEMS-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CSc1nc(C)cc(C2=CCN(C)CC2)n1 ZINC001241308979 982450932 /nfs/dbraw/zinc/45/09/32/982450932.db2.gz WGFQATXEDAOPAD-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN C[N@H+](Cc1cccc(N)c1)Cc1cccc(=O)[nH]1 ZINC001198092985 1168821597 /nfs/dbraw/zinc/82/15/97/1168821597.db2.gz CFTHBHKJQMLNTQ-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN CN(Cc1cccc(N)c1)Cc1cccc(=O)[nH]1 ZINC001198092985 1168821610 /nfs/dbraw/zinc/82/16/10/1168821610.db2.gz CFTHBHKJQMLNTQ-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN c1ccc(CN2CCCC23COC3)cc1 ZINC001203312720 982609109 /nfs/dbraw/zinc/60/91/09/982609109.db2.gz UATZTSGQPACRGH-UHFFFAOYSA-N 0 1 203.285 2.051 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CCC(=O)[O-] ZINC001589256889 982666610 /nfs/dbraw/zinc/66/66/10/982666610.db2.gz NYCOHROFGQXAKO-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1nnc(C2=CCCN(C)C2)c(C)c1C ZINC001241569031 982815796 /nfs/dbraw/zinc/81/57/96/982815796.db2.gz PHBWASABTUSHJD-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN CCOc1cc(C2=CCCN(C)C2)ccn1 ZINC001241569388 982816872 /nfs/dbraw/zinc/81/68/72/982816872.db2.gz XBSGDFIPTUIWNB-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CN(Cc1cc(F)cc(F)c1F)CC1COC1 ZINC001137873706 1168922137 /nfs/dbraw/zinc/92/21/37/1168922137.db2.gz QNWRAKOLMXQQQO-UHFFFAOYSA-N 0 1 245.244 2.182 20 0 BEADMN CN(CCCF)Cc1c[nH]nc1C(C)(C)C ZINC001353617700 982928723 /nfs/dbraw/zinc/92/87/23/982928723.db2.gz SCUPFAJAAFGZNG-UHFFFAOYSA-N 0 1 227.327 2.499 20 0 BEADMN c1c[nH]c(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001204005448 1168957908 /nfs/dbraw/zinc/95/79/08/1168957908.db2.gz PZUINYAFZXNXKC-YPMHNXCESA-N 0 1 220.316 2.016 20 0 BEADMN c1c[nH]c(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001204005430 1168958052 /nfs/dbraw/zinc/95/80/52/1168958052.db2.gz PZUINYAFZXNXKC-DGCLKSJQSA-N 0 1 220.316 2.016 20 0 BEADMN c1nc(-c2cccc3[nH]nnc32)cs1 ZINC001241890259 983106588 /nfs/dbraw/zinc/10/65/88/983106588.db2.gz OEWLIZZRSVMGLZ-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1ncn(C)c1NC1=CCSCC1 ZINC001201333184 983190594 /nfs/dbraw/zinc/19/05/94/983190594.db2.gz RCWVPHQBGSPGKP-UHFFFAOYSA-N 0 1 209.318 2.161 20 0 BEADMN COc1nc(C)ncc1N=C1CCSCC1 ZINC001201333210 983190982 /nfs/dbraw/zinc/19/09/82/983190982.db2.gz SGEQKJZONIZITC-UHFFFAOYSA-N 0 1 237.328 2.226 20 0 BEADMN Nc1ncc(Cl)nc1NC1=CCSCC1 ZINC001201333063 983191012 /nfs/dbraw/zinc/19/10/12/983191012.db2.gz LHQQDABUWJBSIS-UHFFFAOYSA-N 0 1 242.735 2.145 20 0 BEADMN CCC[C@@H](C)CN1CCn2nccc2C1 ZINC001201553135 983311527 /nfs/dbraw/zinc/31/15/27/983311527.db2.gz HSMYRSVQEYIKQZ-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000043447062 1169088109 /nfs/dbraw/zinc/08/81/09/1169088109.db2.gz ZMGKRRBXVVFDHO-RYUDHWBXSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)(C)CCN1CCn2nccc2C1 ZINC001202114943 983567269 /nfs/dbraw/zinc/56/72/69/983567269.db2.gz JKZYEJAQKIHLKE-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CCCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001490523581 983732583 /nfs/dbraw/zinc/73/25/83/983732583.db2.gz TUZMUFAHYYTOCO-VXGBXAGGSA-N 0 1 244.354 2.115 20 0 BEADMN CC(C)[C@@H](C)ON=C(N)CN1CCCC[C@H]1C ZINC000853666296 983766993 /nfs/dbraw/zinc/76/69/93/983766993.db2.gz KPAVCVMRZKJCTI-VXGBXAGGSA-N 0 1 241.379 2.404 20 0 BEADMN Cc1csc(CN2CC3(CC(O)C3)C2)c1 ZINC001137152312 983983619 /nfs/dbraw/zinc/98/36/19/983983619.db2.gz NGAGTJIPVARLRF-UHFFFAOYSA-N 0 1 223.341 2.013 20 0 BEADMN Cc1csc(CN2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001137153535 983993494 /nfs/dbraw/zinc/99/34/94/983993494.db2.gz YJULXJXKRVIVHI-QWRGUYRKSA-N 0 1 243.347 2.209 20 0 BEADMN CCn1cnc(Cl)c1CN[C@H](C)[C@@H](C)OC ZINC001202611933 984123761 /nfs/dbraw/zinc/12/37/61/984123761.db2.gz OBXIRZDOPROHFK-RKDXNWHRSA-N 0 1 245.754 2.069 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000309163683 950667126 /nfs/dbraw/zinc/66/71/26/950667126.db2.gz PXIHWWMNXAMQMU-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000309163681 950667435 /nfs/dbraw/zinc/66/74/35/950667435.db2.gz PXIHWWMNXAMQMU-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN CCc1nc(CNc2ccc(C#N)cc2C)n[nH]1 ZINC000397757132 1169259420 /nfs/dbraw/zinc/25/94/20/1169259420.db2.gz DFKCUBOPTQVJPA-UHFFFAOYSA-N 0 1 241.298 2.159 20 0 BEADMN CCCCCCN1CC[C@](F)(C(=O)OC)C1 ZINC000752089306 1169272545 /nfs/dbraw/zinc/27/25/45/1169272545.db2.gz NVUOSWATBRHVBD-GFCCVEGCSA-N 0 1 231.311 2.154 20 0 BEADMN CN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001225900163 974719959 /nfs/dbraw/zinc/71/99/59/974719959.db2.gz AWOXMPDNMYOAEF-SECBINFHSA-N 0 1 213.227 2.048 20 0 BEADMN CC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C)[C@H](C)C2)CCO1 ZINC001172384142 974728991 /nfs/dbraw/zinc/72/89/91/974728991.db2.gz UJWCOHHUKZKXRG-OXHZDVMGSA-N 0 1 239.359 2.101 20 0 BEADMN CC(C)COCC[C@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172473388 974770484 /nfs/dbraw/zinc/77/04/84/974770484.db2.gz LYFLYGNPVOCCRM-STQMWFEESA-N 0 1 241.375 2.349 20 0 BEADMN CCN1CC[C@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111275 974793026 /nfs/dbraw/zinc/79/30/26/974793026.db2.gz UEFIDWOODJEMKO-VIFPVBQESA-N 0 1 244.697 2.347 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001172442270 974801164 /nfs/dbraw/zinc/80/11/64/974801164.db2.gz HWRHASXXAWSIDK-VXGBXAGGSA-N 0 1 245.338 2.193 20 0 BEADMN CC(C)OCC[C@H](C)N1CC2(C1)CCCCO2 ZINC001172442996 974802540 /nfs/dbraw/zinc/80/25/40/974802540.db2.gz LPBKFKMAKVXTAR-ZDUSSCGKSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)C[C@H]1C ZINC001172443604 974804085 /nfs/dbraw/zinc/80/40/85/974804085.db2.gz OHDGZBIAYBUEFL-NWDGAFQWSA-N 0 1 227.348 2.243 20 0 BEADMN CC(C)COCC[C@@H](C)NCc1ncccn1 ZINC001172453379 974815474 /nfs/dbraw/zinc/81/54/74/974815474.db2.gz COBRCSQHNDVHIG-GFCCVEGCSA-N 0 1 237.347 2.017 20 0 BEADMN Cc1cnc(CN)n1[C@@H](C)CCOC(C)C ZINC001172450192 974813833 /nfs/dbraw/zinc/81/38/33/974813833.db2.gz VEADWTXDXLESPE-JTQLQIEISA-N 0 1 225.336 2.026 20 0 BEADMN c1nnc(C[N@H+]2CCCC23CCCCC3)[n-]1 ZINC001327521127 972612901 /nfs/dbraw/zinc/61/29/01/972612901.db2.gz XWLSGGRNUXXRDB-UHFFFAOYSA-N 0 1 220.320 2.103 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001140272555 1169370000 /nfs/dbraw/zinc/37/00/00/1169370000.db2.gz APAUMGFJAYMZQS-NEPJUHHUSA-N 0 1 232.327 2.409 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001144677570 972931657 /nfs/dbraw/zinc/93/16/57/972931657.db2.gz VMTIOCSOWFDTND-DTWKUNHWSA-N 0 1 237.324 2.431 20 0 BEADMN Cc1ccnc(CNc2cc(C)c(C)cn2)n1 ZINC001154826646 1169417247 /nfs/dbraw/zinc/41/72/47/1169417247.db2.gz HAXUNNOULBRWFP-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN CCC=CNc1ncnc2[nH]c(C(=O)OC)cc21 ZINC001159661885 1169439423 /nfs/dbraw/zinc/43/94/23/1169439423.db2.gz ARQDNERNULDTNH-SNAWJCMRSA-N 0 1 246.270 2.080 20 0 BEADMN CCOC(=O)CN(C)[C@H](C)CCC(C)C ZINC001256363465 970770371 /nfs/dbraw/zinc/77/03/71/970770371.db2.gz KHSVMAZLSWYVNI-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN NCc1nccnc1Sc1cccc(F)c1 ZINC000087112090 1169453488 /nfs/dbraw/zinc/45/34/88/1169453488.db2.gz AFWAJZQSKRNTQT-UHFFFAOYSA-N 0 1 235.287 2.226 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000402216741 970771150 /nfs/dbraw/zinc/77/11/50/970771150.db2.gz OUBIPEFARMLNHO-WCQYABFASA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)CC[C@H](C)N1CCN(C(C)C)C(=O)C1 ZINC001256370871 970787967 /nfs/dbraw/zinc/78/79/67/970787967.db2.gz DBAACVFYKZXBJB-ZDUSSCGKSA-N 0 1 240.391 2.364 20 0 BEADMN Fc1cc(Nc2ccnnc2)cc2[nH]ncc21 ZINC001215553491 970785134 /nfs/dbraw/zinc/78/51/34/970785134.db2.gz ZEBRQOSHDAIEFD-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Cc1nc(CN[C@@H]2CO[C@@H](C)C2)sc1C ZINC000402369272 970791868 /nfs/dbraw/zinc/79/18/68/970791868.db2.gz XRQIRLSCPOUPBM-XVKPBYJWSA-N 0 1 226.345 2.027 20 0 BEADMN CCN(CC(=O)OC)[C@@H](C)CCC(C)C ZINC001256375249 970792482 /nfs/dbraw/zinc/79/24/82/970792482.db2.gz VDFLXEPWZAGMME-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN COCc1ccc(Cl)c(-n2cncc2N)c1 ZINC001215595456 970799182 /nfs/dbraw/zinc/79/91/82/970799182.db2.gz JRUDOICFTZELKY-UHFFFAOYSA-N 0 1 237.690 2.254 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCN2C(C)C)nc1 ZINC000204912545 970804668 /nfs/dbraw/zinc/80/46/68/970804668.db2.gz GPWFSPIUPYYZER-GFCCVEGCSA-N 0 1 247.342 2.201 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H](C)O[C@H](C)C1 ZINC001256408784 970816103 /nfs/dbraw/zinc/81/61/03/970816103.db2.gz DDAJULFQGJMLAI-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CC[C@H](F)C1 ZINC001256411104 970817993 /nfs/dbraw/zinc/81/79/93/970817993.db2.gz OOKTWQZCZASGAW-QWRGUYRKSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CC[C@@H](F)C1 ZINC001256411105 970819468 /nfs/dbraw/zinc/81/94/68/970819468.db2.gz OOKTWQZCZASGAW-WDEREUQCSA-N 0 1 208.280 2.056 20 0 BEADMN COC(C)(CNc1ccc2[nH]c(C)nc2c1)OC ZINC001170437704 970822186 /nfs/dbraw/zinc/82/21/86/970822186.db2.gz MQQQOSDBIXZWTD-UHFFFAOYSA-N 0 1 249.314 2.292 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCCCC12COC2 ZINC001256417369 970824311 /nfs/dbraw/zinc/82/43/11/970824311.db2.gz ISLRBKQFFNGABT-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H](C)OC[C@@H]1C ZINC001256425384 970828631 /nfs/dbraw/zinc/82/86/31/970828631.db2.gz YVJHSOXLTNNYJH-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN Cc1cc(OC(C)C)ncc1Nc1nnco1 ZINC001215770270 970837959 /nfs/dbraw/zinc/83/79/59/970837959.db2.gz WBSDKPMYIXHQQE-UHFFFAOYSA-N 0 1 234.259 2.304 20 0 BEADMN CCOC1CCC(n2c(C)cnc2CN)CC1 ZINC001256430158 970833604 /nfs/dbraw/zinc/83/36/04/970833604.db2.gz AGRLKCNTXBROPT-UHFFFAOYSA-N 0 1 237.347 2.170 20 0 BEADMN CC(C)Cc1nnc(-c2cnc3nc[nH]c3c2)o1 ZINC001256426409 970834872 /nfs/dbraw/zinc/83/48/72/970834872.db2.gz OCCLBLHVZHNLIG-UHFFFAOYSA-N 0 1 243.270 2.206 20 0 BEADMN C[C@@H](Cc1ccccn1)N(C)Cc1ccno1 ZINC001256427636 970835520 /nfs/dbraw/zinc/83/55/20/970835520.db2.gz XPXUUTPQJVAYNE-NSHDSACASA-N 0 1 231.299 2.133 20 0 BEADMN CCCOC1CN(C2CCC(OCC)CC2)C1 ZINC001256442018 970841380 /nfs/dbraw/zinc/84/13/80/970841380.db2.gz IJRWRUGQWOPJGB-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1ccoc1CNC(=O)c1cccc(F)c1O ZINC001129413733 970841883 /nfs/dbraw/zinc/84/18/83/970841883.db2.gz SYCWACXMDSUYQZ-UHFFFAOYSA-N 0 1 249.241 2.363 20 0 BEADMN C[N@@H+](Cc1cc[nH]c1)Cc1ccncc1 ZINC000183749076 970858157 /nfs/dbraw/zinc/85/81/57/970858157.db2.gz XEVKARZNEILCBS-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN CN(Cc1cc[nH]c1)Cc1ccncc1 ZINC000183749076 970858163 /nfs/dbraw/zinc/85/81/63/970858163.db2.gz XEVKARZNEILCBS-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN Cc1ncn(-c2cc(Cl)cc3n[nH]cc32)c1N ZINC001215858746 970866400 /nfs/dbraw/zinc/86/64/00/970866400.db2.gz RCUZXWBCRZZHHD-UHFFFAOYSA-N 0 1 247.689 2.293 20 0 BEADMN O=C([O-])CC[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403258159 970896584 /nfs/dbraw/zinc/89/65/84/970896584.db2.gz WTJDYZJVQMBZOI-GRYCIOLGSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001256717556 970933776 /nfs/dbraw/zinc/93/37/76/970933776.db2.gz HRNUYSAEFRQZLG-RFZPGFLSSA-N 0 1 224.651 2.237 20 0 BEADMN Cc1cc(Nc2ccncc2)cc(C)c1CO ZINC001216117489 970948467 /nfs/dbraw/zinc/94/84/67/970948467.db2.gz JRELNOJLSUWHCK-UHFFFAOYSA-N 0 1 228.295 2.356 20 0 BEADMN COc1ccnc(Nc2ccc(O)c(CO)c2)c1 ZINC001216136524 970952542 /nfs/dbraw/zinc/95/25/42/970952542.db2.gz SXTWFZZHPOQURY-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCC(=O)[C@H](C)CC1 ZINC001256735670 970963486 /nfs/dbraw/zinc/96/34/86/970963486.db2.gz IUPSQRHWICXVOV-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCC(=O)[C@H](C)CC1 ZINC001256735671 970960640 /nfs/dbraw/zinc/96/06/40/970960640.db2.gz IUPSQRHWICXVOV-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCCC(=O)[C@@H](C)C1 ZINC001256736355 970961073 /nfs/dbraw/zinc/96/10/73/970961073.db2.gz OOOUQADOMIDZQN-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN Cc1c(F)cncc1-n1c(N)nc2ccccc21 ZINC001216190982 970973671 /nfs/dbraw/zinc/97/36/71/970973671.db2.gz XBODGBORMNTKNW-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN C[C@@H](O)[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000403672315 971010471 /nfs/dbraw/zinc/01/04/71/971010471.db2.gz VGKJZCLFQPZDAO-SFYZADRCSA-N 0 1 224.131 2.008 20 0 BEADMN Cc1c(Cl)cccc1-n1cncc1N ZINC001216325075 971040448 /nfs/dbraw/zinc/04/04/48/971040448.db2.gz YFOIMFGTTIPQOX-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN COc1nc(C)ccc1C1=CNCCC1 ZINC001243951643 971043230 /nfs/dbraw/zinc/04/32/30/971043230.db2.gz YUDIYOHRWOACCL-UHFFFAOYSA-N 0 1 204.273 2.123 20 0 BEADMN C[C@H](N(C)CC=C(Cl)Cl)C(C)(C)O ZINC000403743233 971046505 /nfs/dbraw/zinc/04/65/05/971046505.db2.gz MWNJRGROCZVZNV-ZETCQYMHSA-N 0 1 226.147 2.397 20 0 BEADMN Fc1cnc(C2=CNCCC2)c2cc[nH]c21 ZINC001243952924 971048811 /nfs/dbraw/zinc/04/88/11/971048811.db2.gz ZKHIBLZOCYPRIX-UHFFFAOYSA-N 0 1 217.247 2.426 20 0 BEADMN c1nc(C2CC2)ncc1C1=CNCCC1 ZINC001243952107 971051443 /nfs/dbraw/zinc/05/14/43/971051443.db2.gz GLBUMWVRJJUOJU-UHFFFAOYSA-N 0 1 201.273 2.078 20 0 BEADMN COc1ccnc2cc(C3=CNCCC3)cnc21 ZINC001243954267 971053494 /nfs/dbraw/zinc/05/34/94/971053494.db2.gz UCEQDSOKLSHGSW-UHFFFAOYSA-N 0 1 241.294 2.363 20 0 BEADMN CN1CC=C(Nc2ccc3c(c2)CCC3=O)CC1 ZINC001208859707 1169509204 /nfs/dbraw/zinc/50/92/04/1169509204.db2.gz XZJSAVBWMWPCHJ-UHFFFAOYSA-N 0 1 242.322 2.447 20 0 BEADMN CC[C@H]1CN(C[C@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000403813303 971071354 /nfs/dbraw/zinc/07/13/54/971071354.db2.gz KBVDPCBZKCZRNL-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN Oc1ccc(-c2cccc3[nH]nnc32)c(F)c1 ZINC001206064580 971077486 /nfs/dbraw/zinc/07/74/86/971077486.db2.gz IJJYKVMOROXECE-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@H](F)C2)C1 ZINC001257062564 971085731 /nfs/dbraw/zinc/08/57/31/971085731.db2.gz MKXZFVRQBNTEEZ-IJLUTSLNSA-N 0 1 243.322 2.152 20 0 BEADMN COc1cc(CN2CCCC2)cc(F)c1O ZINC001209521994 1169512982 /nfs/dbraw/zinc/51/29/82/1169512982.db2.gz RYZNETVBGPEVQY-UHFFFAOYSA-N 0 1 225.263 2.136 20 0 BEADMN COc1c(C)cc(C)cc1-c1cnc(CN)nc1 ZINC001244115844 971094743 /nfs/dbraw/zinc/09/47/43/971094743.db2.gz RKBYQANSTCRGMF-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(O)cc2F)C1 ZINC000404003596 971101544 /nfs/dbraw/zinc/10/15/44/971101544.db2.gz NQQGECSYNCOBFT-GFCCVEGCSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1cc(C)n2nc(NC3=CCCOC3)cc2n1 ZINC001216505933 971104514 /nfs/dbraw/zinc/10/45/14/971104514.db2.gz WWFDXOXPWQJLPJ-UHFFFAOYSA-N 0 1 244.298 2.062 20 0 BEADMN CCOC(=O)c1occc1NC1=CCCOC1 ZINC001216505877 971105744 /nfs/dbraw/zinc/10/57/44/971105744.db2.gz UEWSSAITUBBUQK-UHFFFAOYSA-N 0 1 237.255 2.172 20 0 BEADMN CCCOC1CN(C2C[C@H](C)O[C@@H](C)C2)C1 ZINC001257098473 971109521 /nfs/dbraw/zinc/10/95/21/971109521.db2.gz ZQWFGJKXOQVWEK-QWRGUYRKSA-N 0 1 227.348 2.053 20 0 BEADMN CCn1ncc2cc(-n3cnc(C)c3N)ccc21 ZINC001216589878 971135926 /nfs/dbraw/zinc/13/59/26/971135926.db2.gz HEHVXELIUFWQSK-UHFFFAOYSA-N 0 1 241.298 2.133 20 0 BEADMN Cc1ncn(C)c1Nc1cnc(OC(C)C)nc1 ZINC001216616791 971137134 /nfs/dbraw/zinc/13/71/34/971137134.db2.gz BYBBLMIELPGNMY-UHFFFAOYSA-N 0 1 247.302 2.049 20 0 BEADMN CN(CCCCCCO)Cc1ccns1 ZINC000404396979 971156621 /nfs/dbraw/zinc/15/66/21/971156621.db2.gz QHXRPVRHKBWCBW-UHFFFAOYSA-N 0 1 228.361 2.128 20 0 BEADMN CCC[C@H](CC)N1CCn2cncc2C1 ZINC001257264556 971164757 /nfs/dbraw/zinc/16/47/57/971164757.db2.gz OAVFCQHDOYMKTQ-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN Cn1cncc1Nc1cc(O)c(F)cc1F ZINC001211251030 1169533050 /nfs/dbraw/zinc/53/30/50/1169533050.db2.gz VSXLSNCBAANCHF-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN Cn1cncc1Nc1ccccc1P(C)(C)=O ZINC001211250709 1169532134 /nfs/dbraw/zinc/53/21/34/1169532134.db2.gz NHPDLUVSOGQVBW-UHFFFAOYSA-N 0 1 249.254 2.412 20 0 BEADMN Cn1cncc1Nc1cc(F)c(F)cc1O ZINC001211251267 1169532702 /nfs/dbraw/zinc/53/27/02/1169532702.db2.gz XNTNVOPRQMTBAE-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CCC[C@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001257314170 971210784 /nfs/dbraw/zinc/21/07/84/971210784.db2.gz INRFYENGQBCWQG-JTQLQIEISA-N 0 1 221.300 2.353 20 0 BEADMN CCC[C@@H](C)N1CCc2onc(COC)c2C1 ZINC001257319580 971219532 /nfs/dbraw/zinc/21/95/32/971219532.db2.gz QFZXGLSXULWYDL-SNVBAGLBSA-N 0 1 238.331 2.368 20 0 BEADMN CCOCc1ncn2c1CN(C1CCCC1)CC2 ZINC001257351050 971261248 /nfs/dbraw/zinc/26/12/48/971261248.db2.gz KNWMGZKVSRIUJX-UHFFFAOYSA-N 0 1 249.358 2.178 20 0 BEADMN CCc1nc(CN[C@@H]2CO[C@@H](C)[C@H]2C)cs1 ZINC000405558251 971275027 /nfs/dbraw/zinc/27/50/27/971275027.db2.gz RFZGLQYGERDDCW-WCABBAIRSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@H](C)N1CCO[C@@H](CO)C1 ZINC001257362511 971280711 /nfs/dbraw/zinc/28/07/11/971280711.db2.gz CWSRERZWBBETAB-QWHCGFSZSA-N 0 1 229.364 2.038 20 0 BEADMN CCCC[C@H](CC)Nc1nccnc1CN ZINC001257413458 971309697 /nfs/dbraw/zinc/30/96/97/971309697.db2.gz WLRCDFKQLCHSDA-JTQLQIEISA-N 0 1 222.336 2.316 20 0 BEADMN Cc1cnc(NC[C@H](O)C(F)(F)F)cc1C ZINC001158543082 971317386 /nfs/dbraw/zinc/31/73/86/971317386.db2.gz NXIAVEHAYXXHBF-QMMMGPOBSA-N 0 1 234.221 2.034 20 0 BEADMN CCCC[C@@H](CC)N1CC[C@H]1C(=O)OC ZINC001257418022 971317349 /nfs/dbraw/zinc/31/73/49/971317349.db2.gz KAPASCUQULGPRX-MNOVXSKESA-N 0 1 213.321 2.203 20 0 BEADMN CCOc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217694108 971332013 /nfs/dbraw/zinc/33/20/13/971332013.db2.gz AFLZDDFBMNHJTA-NSHDSACASA-N 0 1 245.282 2.170 20 0 BEADMN CC(C)Cc1nnc([C@@H]2NCCC[C@@H]2C)o1 ZINC001217702091 971341804 /nfs/dbraw/zinc/34/18/04/971341804.db2.gz HYICRWFZKJACGB-GXSJLCMTSA-N 0 1 223.320 2.329 20 0 BEADMN C[C@H]1CC[C@H](c2nnc(C3CC3)o2)NC1 ZINC001217702472 971344197 /nfs/dbraw/zinc/34/41/97/971344197.db2.gz KSKADMVCVNRDOQ-IONNQARKSA-N 0 1 207.277 2.008 20 0 BEADMN C[C@@H]1CC[C@H](c2nnc(C3CCC3)o2)NC1 ZINC001217702803 971344511 /nfs/dbraw/zinc/34/45/11/971344511.db2.gz NTAWIVYYXBEKCC-PSASIEDQSA-N 0 1 221.304 2.398 20 0 BEADMN C[C@H]1CC[C@@H](c2nnc(C3CC3)o2)NC1 ZINC001217702470 971345210 /nfs/dbraw/zinc/34/52/10/971345210.db2.gz KSKADMVCVNRDOQ-CBAPKCEASA-N 0 1 207.277 2.008 20 0 BEADMN Cc1cccc(-c2nnc([C@H]3CCN3)o2)c1 ZINC001217717447 971352661 /nfs/dbraw/zinc/35/26/61/971352661.db2.gz BVKLMFWEPLXCQW-SNVBAGLBSA-N 0 1 215.256 2.079 20 0 BEADMN CC[C@H](C)N1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001257442398 971352815 /nfs/dbraw/zinc/35/28/15/971352815.db2.gz BFDAEMRBOZBVEC-JTQLQIEISA-N 0 1 242.363 2.384 20 0 BEADMN CC(C)C[C@@](C)(N)c1nnc([C@H]2C[C@H]2C)o1 ZINC001217734125 971356216 /nfs/dbraw/zinc/35/62/16/971356216.db2.gz SNIKZCAMXLCJCQ-VDDIYKPWSA-N 0 1 223.320 2.413 20 0 BEADMN C(c1nnc([C@H]2CCN2)o1)C1CCCCC1 ZINC001217719112 971357885 /nfs/dbraw/zinc/35/78/85/971357885.db2.gz WETKJGKNRHSQOB-SNVBAGLBSA-N 0 1 221.304 2.227 20 0 BEADMN Clc1cccc(-c2nnc([C@H]3CCN3)o2)c1 ZINC001217718471 971360380 /nfs/dbraw/zinc/36/03/80/971360380.db2.gz KNWWSLQYIPKXGM-SECBINFHSA-N 0 1 235.674 2.424 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217732892 971372329 /nfs/dbraw/zinc/37/23/29/971372329.db2.gz JDZWKPFBXBWEGO-SOCHQFKDSA-N 0 1 209.293 2.023 20 0 BEADMN Cn1ncc2c1CN(C1CCCCC1)C2 ZINC001257459344 971381467 /nfs/dbraw/zinc/38/14/67/971381467.db2.gz FUDQUYOCDAEOII-UHFFFAOYSA-N 0 1 205.305 2.068 20 0 BEADMN c1cncc(OC2CN(C3CCCCC3)C2)c1 ZINC001257460290 971384130 /nfs/dbraw/zinc/38/41/30/971384130.db2.gz YLCZOZNKIGIHLF-UHFFFAOYSA-N 0 1 232.327 2.477 20 0 BEADMN C[C@@H](N)c1ncc(-c2nnc(C3CC3)o2)s1 ZINC001217756652 971385616 /nfs/dbraw/zinc/38/56/16/971385616.db2.gz YUAKOVGNQORPCC-RXMQYKEDSA-N 0 1 236.300 2.090 20 0 BEADMN CCC[C@@H](C)CC[C@H](C)N1CCN(C)C(=O)C1 ZINC001257476243 971401415 /nfs/dbraw/zinc/40/14/15/971401415.db2.gz KABZZDMJRREUMN-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CCNC(=O)[C@H]1C ZINC001257481059 971403928 /nfs/dbraw/zinc/40/39/28/971403928.db2.gz HNWSYPCHQYLLEK-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](C)CC[C@@H](C)N1CC(=O)NC[C@H]1C ZINC001257480450 971405486 /nfs/dbraw/zinc/40/54/86/971405486.db2.gz DZUXABZEIPYBDR-JHJVBQTASA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CC(=O)N[C@H](C)C1 ZINC001257478755 971405845 /nfs/dbraw/zinc/40/58/45/971405845.db2.gz TULVTZBBCULWCJ-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@@H](C)CC[C@@H](C)N1CC(NC(C)=O)C1 ZINC001257483119 971409827 /nfs/dbraw/zinc/40/98/27/971409827.db2.gz UOSYJEXNFRRBSP-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@H](C)N1CC2(C1)CS(=O)C2 ZINC001257512695 971413320 /nfs/dbraw/zinc/41/33/20/971413320.db2.gz ORZBHZFUDPHJLW-NSHDSACASA-N 0 1 229.389 2.020 20 0 BEADMN CCCCC[C@@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001257520258 971444073 /nfs/dbraw/zinc/44/40/73/971444073.db2.gz RYGDEVRAMICXPV-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CCCCC[C@H](C)N1CCN(C#N)CC1 ZINC001257517946 971441213 /nfs/dbraw/zinc/44/12/13/971441213.db2.gz GQPNBKPBAPVXQP-LBPRGKRZSA-N 0 1 209.337 2.054 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)cc(C)c1O ZINC001170655961 971459301 /nfs/dbraw/zinc/45/93/01/971459301.db2.gz OEEVFQFAEKZHJN-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC1(C)CN([C@@H]2CCCSC2)CCC1=O ZINC001257677010 971482236 /nfs/dbraw/zinc/48/22/36/971482236.db2.gz PJMBVWDTLUSEJK-SNVBAGLBSA-N 0 1 227.373 2.183 20 0 BEADMN CCOC1CN(C2CCC(OC(C)C)CC2)C1 ZINC001257878466 971516608 /nfs/dbraw/zinc/51/66/08/971516608.db2.gz UYNFJRKNODAWNT-UHFFFAOYSA-N 0 1 241.375 2.443 20 0 BEADMN Cc1coc(CNC2CCC3(COC3)CC2)n1 ZINC001257895796 971531553 /nfs/dbraw/zinc/53/15/53/971531553.db2.gz CXHRRQVJIVZGIM-UHFFFAOYSA-N 0 1 236.315 2.032 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@@H+](C)CCCC(=O)[O-] ZINC000177047463 949486406 /nfs/dbraw/zinc/48/64/06/949486406.db2.gz PCDQLECLFZOLSR-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN COc1c(F)ccc(-c2cc(N)ccn2)c1OC ZINC001245043569 971603330 /nfs/dbraw/zinc/60/33/30/971603330.db2.gz GYBDMFKUAMFEQR-UHFFFAOYSA-N 0 1 248.257 2.487 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)nc1 ZINC001170711957 971616444 /nfs/dbraw/zinc/61/64/44/971616444.db2.gz INNQVAGXCFWFIU-CNDDSTCGSA-N 0 1 231.343 2.309 20 0 BEADMN Oc1ccc(-c2ncnc3c2CNC3)c(Cl)c1 ZINC001245081174 971622676 /nfs/dbraw/zinc/62/26/76/971622676.db2.gz BNAOFSSIJCHXEG-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN Cc1ccnc(CN[C@H]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001170713539 971624189 /nfs/dbraw/zinc/62/41/89/971624189.db2.gz PSECELXJEHTWQC-ZSBIGDGJSA-N 0 1 231.343 2.309 20 0 BEADMN Cc1coc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000257693167 950031467 /nfs/dbraw/zinc/03/14/67/950031467.db2.gz UYSLNLRPUJNAJZ-LLVKDONJSA-N 0 1 237.299 2.275 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3cocn3)C[C@@H]21 ZINC001170721791 971647752 /nfs/dbraw/zinc/64/77/52/971647752.db2.gz ZCJNFOBOTHTYIW-UIKWRGBMSA-N 0 1 206.289 2.199 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](Nc3cccnc3CN)C[C@@H]21 ZINC001170729593 971666413 /nfs/dbraw/zinc/66/64/13/971666413.db2.gz DPWOMLGLLAECAK-RTCCRHLQSA-N 0 1 231.343 2.387 20 0 BEADMN CC[N@@H+](Cc1oncc1C(=O)[O-])CC(C)(C)C ZINC000380022825 971669651 /nfs/dbraw/zinc/66/96/51/971669651.db2.gz DSPRHUXUDGWRCJ-UHFFFAOYSA-N 0 1 240.303 2.241 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1Oc1n[nH]c2c1CNCC2 ZINC001218352712 971722569 /nfs/dbraw/zinc/72/25/69/971722569.db2.gz KOGYIJVDXCBOPT-IWIIMEHWSA-N 0 1 249.358 2.259 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000380875667 971722904 /nfs/dbraw/zinc/72/29/04/971722904.db2.gz PNPAKSBUQINZGL-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000380093958 951180915 /nfs/dbraw/zinc/18/09/15/951180915.db2.gz JSGSIHDXPILNRN-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H]1CC[C@H](Oc2n[nH]c3c2CNCC3)CC1 ZINC001218354167 971723111 /nfs/dbraw/zinc/72/31/11/971723111.db2.gz QUCRXEBEYLYIGO-XYPYZODXSA-N 0 1 249.358 2.403 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2n[nH]c3c2CNCC3)[C@@H]1C ZINC001218353969 971723883 /nfs/dbraw/zinc/72/38/83/971723883.db2.gz YXOFSVLPIFFPFZ-BREBYQMCSA-N 0 1 249.358 2.259 20 0 BEADMN CCC(CC)[N@@H+](CC)CCCC(=O)[O-] ZINC000389294237 951348752 /nfs/dbraw/zinc/34/87/52/951348752.db2.gz FKQDKCYAWWRICS-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1c(C(=O)NC/C=C\Cl)ccc2cncn21 ZINC001134611033 971737860 /nfs/dbraw/zinc/73/78/60/971737860.db2.gz HMQLRJVFGRSHKL-DJWKRKHSSA-N 0 1 249.701 2.125 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCCCF)C1 ZINC000398652464 951595322 /nfs/dbraw/zinc/59/53/22/951595322.db2.gz BLULQNGHCRFHRH-WDEREUQCSA-N 0 1 231.311 2.169 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000399101245 951634790 /nfs/dbraw/zinc/63/47/90/951634790.db2.gz UQKFRSOULHJTOL-NOOOWODRSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC1=CCCC1 ZINC000401130366 951658002 /nfs/dbraw/zinc/65/80/02/951658002.db2.gz SMWNJZCHTIGRED-CMPLNLGQSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC001229438762 1169659505 /nfs/dbraw/zinc/65/95/05/1169659505.db2.gz VIQVJEGCDMHUJH-KXUCPTDWSA-N 0 1 244.298 2.229 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@]1(C)CCCS1 ZINC000382116147 971799692 /nfs/dbraw/zinc/79/96/92/971799692.db2.gz FPUNDQMIUSOQRT-FOGDFJRCSA-N 0 1 243.372 2.067 20 0 BEADMN CO[C@H](C)COc1ccc(F)cc1CN(C)C ZINC001229853107 1169668381 /nfs/dbraw/zinc/66/83/81/1169668381.db2.gz BXDLGAXOBFLOOJ-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC1CC(F)(F)C1 ZINC000383073726 971847175 /nfs/dbraw/zinc/84/71/75/971847175.db2.gz RFWNSAOVNYHACK-PSASIEDQSA-N 0 1 247.285 2.217 20 0 BEADMN CC1CN(Cc2cc3cc[nH]c3cn2)C1 ZINC001231664097 1169681166 /nfs/dbraw/zinc/68/11/66/1169681166.db2.gz SPVFZLLSGYGQIT-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN C[C@H](O)[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000309901886 971878120 /nfs/dbraw/zinc/87/81/20/971878120.db2.gz IBJKFVOXPDLGFG-CIUDSAMLSA-N 0 1 229.270 2.385 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000383590178 971878393 /nfs/dbraw/zinc/87/83/93/971878393.db2.gz CPYYUXJOOUYGOJ-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000383618901 971880942 /nfs/dbraw/zinc/88/09/42/971880942.db2.gz QRWIZPJNYLUPHB-GXFFZTMASA-N 0 1 248.326 2.400 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2COC(C)(C)C2)cn1 ZINC001172294196 974560311 /nfs/dbraw/zinc/56/03/11/974560311.db2.gz WFILOXBFHPBEAU-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN C[N@H+](CC=C(Cl)Cl)CCCC(=O)[O-] ZINC000403338911 953367888 /nfs/dbraw/zinc/36/78/88/953367888.db2.gz SVDWVCNMAFFQQZ-UHFFFAOYSA-N 0 1 226.103 2.102 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCO[C@H](C)C1 ZINC001172328064 974589889 /nfs/dbraw/zinc/58/98/89/974589889.db2.gz ARCMYQFWNIQNIZ-RWMBFGLXSA-N 0 1 229.364 2.301 20 0 BEADMN Cc1nc2cncc(N[C@H]3CCOC[C@H]3C)c2[nH]1 ZINC001170826770 971935291 /nfs/dbraw/zinc/93/52/91/971935291.db2.gz XTNDEAHTSAWHLR-SCZZXKLOSA-N 0 1 246.314 2.103 20 0 BEADMN Cc1cccc(C[N@H+](C)C(C)(C)C(=O)[O-])c1F ZINC000384600634 971938249 /nfs/dbraw/zinc/93/82/49/971938249.db2.gz FUMGMKUPVCLULZ-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN CN(Cc1cscn1)[C@H]1CCCOCC1 ZINC001170830194 971945351 /nfs/dbraw/zinc/94/53/51/971945351.db2.gz ACJZKAQMSHEYQA-NSHDSACASA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1CC(C)(OC)C1 ZINC001172334977 974598071 /nfs/dbraw/zinc/59/80/71/974598071.db2.gz DXVTYOOOHVMYSF-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001172338580 974602645 /nfs/dbraw/zinc/60/26/45/974602645.db2.gz BXSPNLIVCXRVPC-RNJOBUHISA-N 0 1 227.348 2.053 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000385195940 971986611 /nfs/dbraw/zinc/98/66/11/971986611.db2.gz OQFXHWOFJHDCIE-UJICNMFASA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@](N)(CO)Nc1cc(C)c(C)c(C)c1 ZINC001170864362 971994222 /nfs/dbraw/zinc/99/42/22/971994222.db2.gz HLWKFBQDBDSAGT-ZDUSSCGKSA-N 0 1 222.332 2.081 20 0 BEADMN Cc1cc(CCC(=O)N2CCCCCCC2)n[nH]1 ZINC001135939942 972009151 /nfs/dbraw/zinc/00/91/51/972009151.db2.gz XEGKCFNHJJNSSY-UHFFFAOYSA-N 0 1 249.358 2.443 20 0 BEADMN OCCN(Cc1ccc[nH]1)Cc1ccccc1 ZINC000190579685 972034883 /nfs/dbraw/zinc/03/48/83/972034883.db2.gz PDHQDMQBMBRATC-UHFFFAOYSA-N 0 1 230.311 2.009 20 0 BEADMN CCC(CC)CNC(=O)[C@@H](NC)c1ccccc1 ZINC001219600966 972047175 /nfs/dbraw/zinc/04/71/75/972047175.db2.gz JSRSNDRUYZENAF-AWEZNQCLSA-N 0 1 248.370 2.500 20 0 BEADMN Cc1cc(CCC(=O)N(C)[C@@H](C)C(C)C)n[nH]1 ZINC001136160091 972087764 /nfs/dbraw/zinc/08/77/64/972087764.db2.gz SKWGEXWRQRDINS-NSHDSACASA-N 0 1 237.347 2.154 20 0 BEADMN CC[C@H](O)CN1N=C(c2ccc(C)cc2)CC1=O ZINC001245918747 972094311 /nfs/dbraw/zinc/09/43/11/972094311.db2.gz ADJNBEWWZIQHJV-LBPRGKRZSA-N 0 1 246.310 2.335 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1C[C@H]2C[C@@H](C1)O2 ZINC001172354645 974624952 /nfs/dbraw/zinc/62/49/52/974624952.db2.gz SKWYYMNQIXPBSI-ZDEQEGDKSA-N 0 1 227.348 2.053 20 0 BEADMN C=C/C=C/CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001136345186 972132286 /nfs/dbraw/zinc/13/22/86/972132286.db2.gz MDUOFFRUPDAVKC-VOTSOKGWSA-N 0 1 236.359 2.061 20 0 BEADMN CN1CCC=C(c2cc3[nH]cnc3c(F)c2)C1 ZINC001241571222 1169728026 /nfs/dbraw/zinc/72/80/26/1169728026.db2.gz VFVYZLDSJJGTNZ-UHFFFAOYSA-N 0 1 231.274 2.421 20 0 BEADMN Cc1nc2cncc(C3=CCCN(C)C3)c2o1 ZINC001241571333 1169732941 /nfs/dbraw/zinc/73/29/41/1169732941.db2.gz XHPXESZFVQGDBN-UHFFFAOYSA-N 0 1 229.283 2.250 20 0 BEADMN CN1CCC=C(c2cc3[nH]cnc3cc2F)C1 ZINC001241571977 1169734416 /nfs/dbraw/zinc/73/44/16/1169734416.db2.gz MFIUVRATBRQFJM-UHFFFAOYSA-N 0 1 231.274 2.421 20 0 BEADMN COc1ncccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000193315547 972214918 /nfs/dbraw/zinc/21/49/18/972214918.db2.gz FKFLDRFHMXBAKN-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1ccnnc1-c1cc(F)c(O)cc1F ZINC001206755822 956886610 /nfs/dbraw/zinc/88/66/10/956886610.db2.gz PDTGXOAWRSPNKX-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CC[N@@H+](Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC000011886499 956897129 /nfs/dbraw/zinc/89/71/29/956897129.db2.gz RXFCNDUZBZFUQI-UHFFFAOYSA-N 0 1 221.300 2.372 20 0 BEADMN CCN(CCN1CC(C)C1)C(=O)OC(C)(C)C ZINC001208243898 957079841 /nfs/dbraw/zinc/07/98/41/957079841.db2.gz ZNMFZRJZQCVHKQ-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1nc(Cl)cc(NC2=CCN(C)CC2)n1 ZINC001208719568 957135921 /nfs/dbraw/zinc/13/59/21/957135921.db2.gz SIIFPWKMTPVSMS-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN CC/C=C\CCN(C)Cc1ccncn1 ZINC001208734268 957147234 /nfs/dbraw/zinc/14/72/34/957147234.db2.gz UPLKZTNIJJBRFV-PLNGDYQASA-N 0 1 205.305 2.265 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC000032015428 957171745 /nfs/dbraw/zinc/17/17/45/957171745.db2.gz QDXSSGLOPSEYPW-UHFFFAOYSA-N 0 1 227.329 2.291 20 0 BEADMN CC(=O)c1cc(NC2=CCN(C)CC2)ccc1O ZINC001208856789 957187977 /nfs/dbraw/zinc/18/79/77/957187977.db2.gz JIBUORUAEUXTDC-UHFFFAOYSA-N 0 1 246.310 2.226 20 0 BEADMN CN1CC=C(Nc2cccc3c2C(=O)CC3)CC1 ZINC001208910395 957234223 /nfs/dbraw/zinc/23/42/23/957234223.db2.gz OHGYDRWFBHGUHU-UHFFFAOYSA-N 0 1 242.322 2.447 20 0 BEADMN CCC(=O)C(C)(C)CN1CCn2cccc2C1 ZINC001208917437 957238799 /nfs/dbraw/zinc/23/87/99/957238799.db2.gz YULTZEOLJXOHSL-UHFFFAOYSA-N 0 1 234.343 2.309 20 0 BEADMN CSc1nccc(C[N@H+]2CCCC23CC3)n1 ZINC001140033284 957389027 /nfs/dbraw/zinc/38/90/27/957389027.db2.gz VLUZIZPSPQDPPQ-UHFFFAOYSA-N 0 1 235.356 2.327 20 0 BEADMN CN1C[C@@H]2C[C@H]1CN2Cc1ccc(Cl)s1 ZINC001204441867 957462032 /nfs/dbraw/zinc/46/20/32/957462032.db2.gz DBCIORMZRGTKMB-IUCAKERBSA-N 0 1 242.775 2.290 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)CN1CCCC1 ZINC000095862840 957502843 /nfs/dbraw/zinc/50/28/43/957502843.db2.gz KWLBJQLZTIMMSQ-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN COc1cc(C[N@H+]2CC[C@](C)(CF)C2)ccn1 ZINC001209637555 957518569 /nfs/dbraw/zinc/51/85/69/957518569.db2.gz HUIRUBGEVJQCLO-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cc(CN2CC[C@](C)(CF)C2)ccn1 ZINC001209637555 957518575 /nfs/dbraw/zinc/51/85/75/957518575.db2.gz HUIRUBGEVJQCLO-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN COc1ncc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209844931 957542073 /nfs/dbraw/zinc/54/20/73/957542073.db2.gz RVKJFEWUMKRSRI-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CCCNC(=O)c1ccc(CN2CCCC2)o1 ZINC000141099430 957545038 /nfs/dbraw/zinc/54/50/38/957545038.db2.gz QEIDLLQSWRCFSQ-UHFFFAOYSA-N 0 1 236.315 2.015 20 0 BEADMN Cc1cc(C)nc(N2CC[C@H]3OCC[C@H]3C2)c1 ZINC001167211118 957545330 /nfs/dbraw/zinc/54/53/30/957545330.db2.gz BKZXTYHRBZWHKG-QWHCGFSZSA-N 0 1 232.327 2.314 20 0 BEADMN Cc1cc(C)nc(N2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001167211120 957545418 /nfs/dbraw/zinc/54/54/18/957545418.db2.gz BKZXTYHRBZWHKG-STQMWFEESA-N 0 1 232.327 2.314 20 0 BEADMN CCOc1ccnc(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001167216438 957548965 /nfs/dbraw/zinc/54/89/65/957548965.db2.gz UTCQBGYVPLSMFB-YPMHNXCESA-N 0 1 248.326 2.096 20 0 BEADMN Cc1cc(C)nc(N2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001167224677 957557119 /nfs/dbraw/zinc/55/71/19/957557119.db2.gz YIQNXSLYSVWQJB-CNDDSTCGSA-N 0 1 220.291 2.350 20 0 BEADMN Cc1ccc(Nc2cnc(N)cc2C)cn1 ZINC001209962107 957585984 /nfs/dbraw/zinc/58/59/84/957585984.db2.gz QVSITZISUKNYIB-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1c[nH]c(=O)cc1Nc1cnc(N)cc1C ZINC001209965136 957586340 /nfs/dbraw/zinc/58/63/40/957586340.db2.gz NCUZLTUEWOBKMT-UHFFFAOYSA-N 0 1 230.271 2.125 20 0 BEADMN Cc1ccnc(NCc2cncnc2)c1C ZINC001167256615 957592999 /nfs/dbraw/zinc/59/29/99/957592999.db2.gz SUOWLYMXGNPOSA-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN CCCCC=Nc1nc(F)ccc1C(N)=O ZINC001210059450 957629363 /nfs/dbraw/zinc/62/93/63/957629363.db2.gz JNYWUANPANYPLA-QPJJXVBHSA-N 0 1 223.251 2.045 20 0 BEADMN FC1(F)CCCCN(Cc2cnc[nH]2)C1 ZINC001136866520 972280733 /nfs/dbraw/zinc/28/07/33/972280733.db2.gz YMZMDJVGNIEKGG-UHFFFAOYSA-N 0 1 215.247 2.031 20 0 BEADMN CN(C)Cc1ccc(-c2ccc(F)cn2)nc1 ZINC001241806383 1169746659 /nfs/dbraw/zinc/74/66/59/1169746659.db2.gz DTJCNGMMKFOXQG-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1cccnc1 ZINC000071380414 957721208 /nfs/dbraw/zinc/72/12/08/957721208.db2.gz QDPKPFNFWQZMSY-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccccn1 ZINC000071380371 957721570 /nfs/dbraw/zinc/72/15/70/957721570.db2.gz FYDWFFGVMGVUBP-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN C[C@H](O)c1cccc(Nc2cncn2C)c1 ZINC001210506493 957771472 /nfs/dbraw/zinc/77/14/72/957771472.db2.gz PNMLEUNMOJRXCD-VIFPVBQESA-N 0 1 217.272 2.217 20 0 BEADMN c1nnc(CN2CCC=C(c3ccccc3)C2)[nH]1 ZINC001347114541 957772852 /nfs/dbraw/zinc/77/28/52/957772852.db2.gz UDCIGSJXVOVACS-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN C[C@@H](O)c1ccc(Nc2ccnc(CO)c2)cc1 ZINC001210642156 957838449 /nfs/dbraw/zinc/83/84/49/957838449.db2.gz LWECZISNQBDJPB-SNVBAGLBSA-N 0 1 244.294 2.371 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCC[C@@H]1C(C)C ZINC000084126517 957856515 /nfs/dbraw/zinc/85/65/15/957856515.db2.gz DWSJMCAFPCQNNG-PFEDMVJOSA-N 0 1 211.305 2.138 20 0 BEADMN CC=C(C)Nc1cc(Cl)cnc1C(N)=O ZINC001210792640 957888541 /nfs/dbraw/zinc/88/85/41/957888541.db2.gz OSAOSNPVAMZUTM-ZZXKWVIFSA-N 0 1 225.679 2.170 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)nc2)C[C@@H]1C ZINC000824815144 972301333 /nfs/dbraw/zinc/30/13/33/972301333.db2.gz IVJHWKWTDRUPGJ-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN Cn1ccnc1Nc1cc(O)ccc1F ZINC001210799191 957902513 /nfs/dbraw/zinc/90/25/13/957902513.db2.gz SKEDEZHZFXDTMJ-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN COc1c(F)cc(F)cc1Nc1nnc(C)o1 ZINC001210865854 957919191 /nfs/dbraw/zinc/91/91/91/957919191.db2.gz UPVKZIQRSOTUIT-UHFFFAOYSA-N 0 1 241.197 2.408 20 0 BEADMN CCCO[C@H]1CCN(Cc2ccnc(CC)n2)C1 ZINC001207086213 957958587 /nfs/dbraw/zinc/95/85/87/957958587.db2.gz KLWYQRNJJUFLKF-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1ccc(C)c(N[C@](C)(C(N)=O)C(C)C)n1 ZINC001167403957 958020080 /nfs/dbraw/zinc/02/00/80/958020080.db2.gz KQOIYHOEADXYMC-ZDUSSCGKSA-N 0 1 235.331 2.010 20 0 BEADMN CC[N@@H+](Cc1ccncc1)CC1(CC(=O)[O-])CC1 ZINC000088256024 958048649 /nfs/dbraw/zinc/04/86/49/958048649.db2.gz SYGRNRUUKBRUDG-UHFFFAOYSA-N 0 1 248.326 2.158 20 0 BEADMN Cn1cncc1Nc1c[nH]c2cc(=O)ccc-2c1 ZINC001211247077 958106743 /nfs/dbraw/zinc/10/67/43/958106743.db2.gz HPFIDHZJYFDLSX-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN Cn1cncc1Nc1cnccc1C1CC1 ZINC001211246974 958106951 /nfs/dbraw/zinc/10/69/51/958106951.db2.gz CAZAUAQBSQAORA-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN C[C@H]1CCc2cc(N)ccc2N1c1cncn1C ZINC001211248751 958107669 /nfs/dbraw/zinc/10/76/69/958107669.db2.gz DWTOPVFIPMIQJT-JTQLQIEISA-N 0 1 242.326 2.475 20 0 BEADMN COc1cccc(Nc2cncn2C)c1C ZINC001211249818 958109538 /nfs/dbraw/zinc/10/95/38/958109538.db2.gz CLXLUBMPIXXTAW-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cn1cncc1Nc1cccnc1C1CC1 ZINC001211247357 958112024 /nfs/dbraw/zinc/11/20/24/958112024.db2.gz WQQVNLUEPOJYAV-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN Cc1c(O)cccc1Nc1cncn1C ZINC001211250338 958115005 /nfs/dbraw/zinc/11/50/05/958115005.db2.gz IHPIZOZDUUWOLP-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN COC(=O)c1cccc(C)c1Nc1cncn1C ZINC001211250256 958115386 /nfs/dbraw/zinc/11/53/86/958115386.db2.gz KTPARSUGAWGDEN-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN Cn1cncc1Nc1ccc2oncc2c1 ZINC001211250348 958115508 /nfs/dbraw/zinc/11/55/08/958115508.db2.gz ILSONEHNRXCCGT-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN Cn1cncc1Nc1cccc(C2OCCO2)c1 ZINC001211250630 958115736 /nfs/dbraw/zinc/11/57/36/958115736.db2.gz OXYPNAPVKFHTDQ-UHFFFAOYSA-N 0 1 245.282 2.209 20 0 BEADMN Cn1cncc1Nc1cccc2ncn(C)c21 ZINC001211251787 958120617 /nfs/dbraw/zinc/12/06/17/958120617.db2.gz PBLRNWHCYCSVDR-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN C[C@H]1CN(Cc2nccs2)CCC[C@@]1(C)O ZINC001204545072 958125637 /nfs/dbraw/zinc/12/56/37/958125637.db2.gz MTVQMHBIHVMTCJ-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1noc(C)c1CN1CC2(CCC2)C1 ZINC001207133294 958131409 /nfs/dbraw/zinc/13/14/09/958131409.db2.gz NPKCZUXFMRXZDH-UHFFFAOYSA-N 0 1 206.289 2.277 20 0 BEADMN COc1ncc(CN(C)CCSC)cc1C ZINC001137009894 972323774 /nfs/dbraw/zinc/32/37/74/972323774.db2.gz VTMGRVPHFSNPEA-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN COC1C[C@H]2CC[C@@H](C1)N2Cc1nccs1 ZINC001204548459 958173775 /nfs/dbraw/zinc/17/37/75/958173775.db2.gz KUDXBSNOTHKIOH-ZACCUICWSA-N 0 1 238.356 2.285 20 0 BEADMN Cc1cnc(CNCCOC2CCC2)s1 ZINC000690707144 958223505 /nfs/dbraw/zinc/22/35/05/958223505.db2.gz YEQDLQDPIBRTJR-UHFFFAOYSA-N 0 1 226.345 2.110 20 0 BEADMN O=C1CCCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC001137042634 972338643 /nfs/dbraw/zinc/33/86/43/972338643.db2.gz NSHDSJGTHGBYAL-UHFFFAOYSA-N 0 1 243.310 2.118 20 0 BEADMN FC1(C2CC2)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC001137041153 972341447 /nfs/dbraw/zinc/34/14/47/972341447.db2.gz OBNXVHBLNRQLSL-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN Cc1cccc2nc(NC(=O)COC(C)C)[nH]c21 ZINC001143366869 972345381 /nfs/dbraw/zinc/34/53/81/972345381.db2.gz PEYQIMNWJMPCGA-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1ccccc1C ZINC000080045492 958437700 /nfs/dbraw/zinc/43/77/00/958437700.db2.gz JBPFKMVTNAVVCT-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN Cc1c(CN2CC[C@@H](C(F)(F)F)C2)cnn1C ZINC001204572622 958447618 /nfs/dbraw/zinc/44/76/18/958447618.db2.gz RBCZOMWUJOFUSW-SNVBAGLBSA-N 0 1 247.264 2.113 20 0 BEADMN Cc1[nH+]cn(Cc2ccccc2CC(=O)[O-])c1C ZINC000123339323 958499790 /nfs/dbraw/zinc/49/97/90/958499790.db2.gz NOESDMAKWSUJCA-UHFFFAOYSA-N 0 1 244.294 2.175 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC(F)(F)F ZINC000123734021 958506775 /nfs/dbraw/zinc/50/67/75/958506775.db2.gz NYUJBBIIQSXEPF-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H](CN1CC[C@@]12CCOC2)C(F)(F)F ZINC000421013657 972354526 /nfs/dbraw/zinc/35/45/26/972354526.db2.gz GGYHIFLVRNJKTQ-IUCAKERBSA-N 0 1 223.238 2.050 20 0 BEADMN C[C@H](NC(=O)c1ccc(Cl)c(O)c1)C(F)F ZINC001299157954 958578364 /nfs/dbraw/zinc/57/83/64/958578364.db2.gz SCDPGXFHROXCIY-YFKPBYRVSA-N 0 1 249.644 2.429 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CC[C@](C)(O)C1 ZINC001143757821 972362679 /nfs/dbraw/zinc/36/26/79/972362679.db2.gz OAPKWGSYNIYZQM-ZDUSSCGKSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1noc([C@@H](N[C@H]2CCSC2)C(C)C)n1 ZINC000167717526 958630084 /nfs/dbraw/zinc/63/00/84/958630084.db2.gz ZBNAQKRLEBDPEK-UWVGGRQHSA-N 0 1 241.360 2.170 20 0 BEADMN CC/C=C\CCN(CCS(C)(=O)=O)C(C)C ZINC000588476276 958718813 /nfs/dbraw/zinc/71/88/13/958718813.db2.gz WMPJOMQQCGBUEW-SREVYHEPSA-N 0 1 247.404 2.098 20 0 BEADMN CC(C)(C)N1CC(OCc2ccncc2)C1 ZINC001222123258 972374560 /nfs/dbraw/zinc/37/45/60/972374560.db2.gz KMSCBZSOJKWZQT-UHFFFAOYSA-N 0 1 220.316 2.081 20 0 BEADMN CC[C@@H](C)N(CC=C(Cl)Cl)CCO ZINC000403688896 958802310 /nfs/dbraw/zinc/80/23/10/958802310.db2.gz XZOGAPOKXFDUFC-MRVPVSSYSA-N 0 1 226.147 2.398 20 0 BEADMN Cc1ccnc(CNC2CCC(F)(F)CC2)n1 ZINC000707901031 958808112 /nfs/dbraw/zinc/80/81/12/958808112.db2.gz PZBROHIQCWMUBV-UHFFFAOYSA-N 0 1 241.285 2.453 20 0 BEADMN Cc1cn[nH]c1CNCc1nc(C(C)(C)C)co1 ZINC000724424917 958848554 /nfs/dbraw/zinc/84/85/54/958848554.db2.gz QATDNKRBEBVTBV-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN c1nc2c(ncnc2NC[C@@]23C[C@@H]2CCCC3)[nH]1 ZINC000693586051 958888190 /nfs/dbraw/zinc/88/81/90/958888190.db2.gz MTCPHXIIKJIXHX-TVQRCGJNSA-N 0 1 243.314 2.297 20 0 BEADMN CC(C)C(C[N@@H+](CC(=O)[O-])C1CC1)C(C)C ZINC000309129359 958958211 /nfs/dbraw/zinc/95/82/11/958958211.db2.gz CUYLTIYJAMKVCO-UHFFFAOYSA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)(C)c1cc(Nc2cncc(N)n2)ccn1 ZINC001213162363 958985198 /nfs/dbraw/zinc/98/51/98/958985198.db2.gz AHPKDFYZMHYRBX-UHFFFAOYSA-N 0 1 243.314 2.495 20 0 BEADMN CN(C[C@@H](O)c1c(F)cccc1F)C1CC1 ZINC000051902349 959071757 /nfs/dbraw/zinc/07/17/57/959071757.db2.gz OGEZOCODCCCUJI-LLVKDONJSA-N 0 1 227.254 2.092 20 0 BEADMN CC(=O)CNc1ccc(C2C=NC(=S)N2)cc1 ZINC001167631090 959144024 /nfs/dbraw/zinc/14/40/24/959144024.db2.gz UAFGMPJKNLBWNU-UHFFFAOYSA-N 0 1 247.323 2.366 20 0 BEADMN CN(Cc1ccns1)CC1(O)CCCCC1 ZINC000404401547 959245895 /nfs/dbraw/zinc/24/58/95/959245895.db2.gz TXVHESONLOUZJH-UHFFFAOYSA-N 0 1 240.372 2.270 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H](C)C(C)C)n[nH]1 ZINC001327116316 972418599 /nfs/dbraw/zinc/41/85/99/972418599.db2.gz QJDRZCSIRZCHFC-BDAKNGLRSA-N 0 1 239.319 2.263 20 0 BEADMN CCCC(=O)NC[C@@H]1CCCN1C[C@@H](F)CC ZINC001267259956 959318709 /nfs/dbraw/zinc/31/87/09/959318709.db2.gz UBSUCVVVVMALCG-RYUDHWBXSA-N 0 1 244.354 2.115 20 0 BEADMN O=C(OCc1nnc[nH]1)c1cccc(C2CC2)c1 ZINC001327123428 972426537 /nfs/dbraw/zinc/42/65/37/972426537.db2.gz JYEUYSLLWXKOSQ-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN CC1(CC(=O)OCc2nnc[nH]2)CCCCC1 ZINC001327136030 972431459 /nfs/dbraw/zinc/43/14/59/972431459.db2.gz UWVJWRJWSKYMJM-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CC/C=C\CCN[C@@H](C)c1nnnn1C1CC1 ZINC000588588171 959467140 /nfs/dbraw/zinc/46/71/40/959467140.db2.gz UFFJVTRGWKNFSJ-LWTINBJPSA-N 0 1 235.335 2.015 20 0 BEADMN CC1(C(=O)OCc2nnc[nH]2)CCCCCC1 ZINC001327144555 972435154 /nfs/dbraw/zinc/43/51/54/972435154.db2.gz HXENVCWUQORXLR-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN c1ccc([C@H]2C[C@H]2c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217695785 959553874 /nfs/dbraw/zinc/55/38/74/959553874.db2.gz XLJIRKRVNXRNSL-UTUOFQBUSA-N 0 1 241.294 2.375 20 0 BEADMN c1ccc([C@@H]2C[C@H]2c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217695783 959555656 /nfs/dbraw/zinc/55/56/56/959555656.db2.gz XLJIRKRVNXRNSL-TUAOUCFPSA-N 0 1 241.294 2.375 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)Cc1ccoc1C ZINC000215680650 959757912 /nfs/dbraw/zinc/75/79/12/959757912.db2.gz OLCQQCPWOVFOPS-TWGQIWQCSA-N 0 1 223.272 2.051 20 0 BEADMN C[C@H]([NH2+]Cc1ccoc1C(=O)[O-])c1ccccn1 ZINC000226231041 959871288 /nfs/dbraw/zinc/87/12/88/959871288.db2.gz BRBRMGYXGDZGDW-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000227100679 959920960 /nfs/dbraw/zinc/92/09/60/959920960.db2.gz DPAZYZOGYPLOPC-IQJOONFLSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000227100679 959920973 /nfs/dbraw/zinc/92/09/73/959920973.db2.gz DPAZYZOGYPLOPC-IQJOONFLSA-N 0 1 237.299 2.308 20 0 BEADMN CSC(C)(C)CNc1cc(C(=O)[O-])cc[nH+]1 ZINC000229115441 960059770 /nfs/dbraw/zinc/05/97/70/960059770.db2.gz QAAFWXBLSFWGIW-UHFFFAOYSA-N 0 1 240.328 2.333 20 0 BEADMN c1ncc(CN2CCC[C@@H](c3ccccn3)C2)o1 ZINC001140931319 960088029 /nfs/dbraw/zinc/08/80/29/960088029.db2.gz FFJVLDLOZRUBCW-GFCCVEGCSA-N 0 1 243.310 2.449 20 0 BEADMN c1ncc(CN2CCC(c3ccncc3)CC2)o1 ZINC001140932076 960100106 /nfs/dbraw/zinc/10/01/06/960100106.db2.gz ZOACYOYIKKTBGQ-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(OC)C1 ZINC000230273177 960135884 /nfs/dbraw/zinc/13/58/84/960135884.db2.gz LLVOHQWDKQNAHS-WCQYABFASA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H]1CCN1Cc1ccc2c(c1)OCCO2 ZINC001141036831 960226408 /nfs/dbraw/zinc/22/64/08/960226408.db2.gz WBMWAKOSGHHOKH-SNVBAGLBSA-N 0 1 219.284 2.052 20 0 BEADMN C[C@H]1CCCN1Cn1c2ccccc2oc1=O ZINC000173521944 960357036 /nfs/dbraw/zinc/35/70/36/960357036.db2.gz SPCNDZPIBQVRPV-JTQLQIEISA-N 0 1 232.283 2.036 20 0 BEADMN CC(C)(CCO)Nc1cc2nc[nH]c2cc1F ZINC001167739975 960375669 /nfs/dbraw/zinc/37/56/69/960375669.db2.gz DDLSFHUUFGHJSZ-UHFFFAOYSA-N 0 1 237.278 2.275 20 0 BEADMN Cn1ccc2c1nccc2NC(C)(C)CCO ZINC001167742260 960403417 /nfs/dbraw/zinc/40/34/17/960403417.db2.gz VYCCROIGJJQWFK-UHFFFAOYSA-N 0 1 233.315 2.146 20 0 BEADMN c1snnc1CN[C@@H]1CCCC2(CC2)C1 ZINC000695760213 960428779 /nfs/dbraw/zinc/42/87/79/960428779.db2.gz MRIBWMWGCHKXGQ-SECBINFHSA-N 0 1 223.345 2.351 20 0 BEADMN CC1(CO)CN(Cc2cccc3ccncc32)C1 ZINC001140640896 960470202 /nfs/dbraw/zinc/47/02/02/960470202.db2.gz VDBNRXWTJBFAMW-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN C[C@@H]1CN(Cc2cccc3ccncc32)CCO1 ZINC001140640550 960473205 /nfs/dbraw/zinc/47/32/05/960473205.db2.gz OWXQSDWYKICDLW-GFCCVEGCSA-N 0 1 242.322 2.456 20 0 BEADMN COc1nccc(CN2CCC23CCCCC3)n1 ZINC001140691090 960497883 /nfs/dbraw/zinc/49/78/83/960497883.db2.gz XHGGMKWRODUNNR-UHFFFAOYSA-N 0 1 247.342 2.394 20 0 BEADMN Cn1cnc2ccc(CN3CCSCC3)cc21 ZINC001140741475 960541234 /nfs/dbraw/zinc/54/12/34/960541234.db2.gz VILSCUOFGTUYAD-UHFFFAOYSA-N 0 1 247.367 2.122 20 0 BEADMN COc1cc(O)cc(OC)c1CN(C)C(C)C ZINC001140769886 960565473 /nfs/dbraw/zinc/56/54/73/960565473.db2.gz ZCJNAGOLCSLYAF-UHFFFAOYSA-N 0 1 239.315 2.250 20 0 BEADMN F[C@@H]1CN(Cc2c[nH]c3ccncc23)C[C@@H]1F ZINC001140801897 960590809 /nfs/dbraw/zinc/59/08/09/960590809.db2.gz KBRMSATURZQFLQ-PHIMTYICSA-N 0 1 237.253 2.055 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2cc(C)on2)n[nH]1 ZINC001203070342 960613797 /nfs/dbraw/zinc/61/37/97/960613797.db2.gz PGXKTYNIWPHTQS-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1ccc(CNC2CSC2)c(F)c1 ZINC000686501400 960628112 /nfs/dbraw/zinc/62/81/12/960628112.db2.gz UYFBTAXWZUNDSN-UHFFFAOYSA-N 0 1 211.305 2.339 20 0 BEADMN Cc1cc(CN2CCC(OC(C)C)CC2)[nH]n1 ZINC001203077245 960685935 /nfs/dbraw/zinc/68/59/35/960685935.db2.gz UOIMIPHKRREUDX-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN CN(CCc1ccc(F)cc1)C1(C)COC1 ZINC001207515588 960688208 /nfs/dbraw/zinc/68/82/08/960688208.db2.gz UWRYCXCXNPFWSF-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN O=C1CCC2(CC1)CCN(Cc1cnco1)CC2 ZINC001140934152 960719434 /nfs/dbraw/zinc/71/94/34/960719434.db2.gz VOXRQCHVXKNKIP-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1cc(CN(C)Cc2cccnc2C)n[nH]1 ZINC001203081614 960744029 /nfs/dbraw/zinc/74/40/29/960744029.db2.gz XVULCMBCKJCFAB-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cc(CN2CCCCC23CC3)[nH]n1 ZINC001203082805 960772349 /nfs/dbraw/zinc/77/23/49/960772349.db2.gz ZPRKKJUSGJJYOX-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN c1coc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC001141007516 960809946 /nfs/dbraw/zinc/80/99/46/960809946.db2.gz PSVWWFZGMDHYTQ-GHMZBOCLSA-N 0 1 206.289 2.439 20 0 BEADMN c1coc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC001141007516 960809948 /nfs/dbraw/zinc/80/99/48/960809948.db2.gz PSVWWFZGMDHYTQ-GHMZBOCLSA-N 0 1 206.289 2.439 20 0 BEADMN CCCOC1CCN(Cc2ocnc2C)CC1 ZINC001141053384 960847235 /nfs/dbraw/zinc/84/72/35/960847235.db2.gz CJOJGKDZWFYALR-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1ncoc1CN1CC[C@@]2(C1)CCCCO2 ZINC001141051948 960849383 /nfs/dbraw/zinc/84/93/83/960849383.db2.gz YNXSEPCZAMAPIM-CYBMUJFWSA-N 0 1 236.315 2.128 20 0 BEADMN CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CO3)[nH]1 ZINC001141074265 960858162 /nfs/dbraw/zinc/85/81/62/960858162.db2.gz DLDHSYAISXWOAG-CHWSQXEVSA-N 0 1 249.358 2.116 20 0 BEADMN CCCCc1ncc(CN(C)Cc2ccon2)[nH]1 ZINC001141071765 960861717 /nfs/dbraw/zinc/86/17/17/960861717.db2.gz DGDMUDBMLJOVNW-UHFFFAOYSA-N 0 1 248.330 2.372 20 0 BEADMN c1ncc(CO[C@@H]2COCc3ccccc32)[nH]1 ZINC001223001125 960895819 /nfs/dbraw/zinc/89/58/19/960895819.db2.gz UHSFPPWBTYGCBX-CYBMUJFWSA-N 0 1 230.267 2.198 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C)c(F)c1 ZINC001141195694 960925290 /nfs/dbraw/zinc/92/52/90/960925290.db2.gz YZJRHSCWMQPQIV-STQMWFEESA-N 0 1 234.318 2.022 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)C[C@H]2C)c(F)c1 ZINC001141196669 960950638 /nfs/dbraw/zinc/95/06/38/960950638.db2.gz SRLQYHRYNWXXBS-YPMHNXCESA-N 0 1 237.318 2.479 20 0 BEADMN F[C@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141238775 961019730 /nfs/dbraw/zinc/01/97/30/961019730.db2.gz SWWSKJDSPVHYOL-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN F[C@H]1CCN(Cc2cccc(-n3ccnc3)c2)C1 ZINC001141238775 961019753 /nfs/dbraw/zinc/01/97/53/961019753.db2.gz SWWSKJDSPVHYOL-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN CN(C)c1cccc(CN2CC3(CSC3)C2)c1 ZINC001141270308 961030997 /nfs/dbraw/zinc/03/09/97/961030997.db2.gz PEIIRSQDEVSRFX-UHFFFAOYSA-N 0 1 248.395 2.301 20 0 BEADMN Cc1cc2nccn2cc1NC1(CO)CCCC1 ZINC001167804609 961059654 /nfs/dbraw/zinc/05/96/54/961059654.db2.gz HTSPOWNOUNVYSK-UHFFFAOYSA-N 0 1 245.326 2.360 20 0 BEADMN CC1(C)CCN(Cc2cn3c(n2)COCC3)CC1 ZINC001141533376 961098202 /nfs/dbraw/zinc/09/82/02/961098202.db2.gz SMONWTZHNAJIQE-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN C[C@H]1CCCN(Cc2cn3c(n2)COCC3)[C@H]1C ZINC001141533547 961100383 /nfs/dbraw/zinc/10/03/83/961100383.db2.gz VHWGCGVKBDTQHN-RYUDHWBXSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCC[C@H](C)C2)n[nH]1 ZINC001141579833 961121694 /nfs/dbraw/zinc/12/16/94/961121694.db2.gz SMRGGEFJNMNXFF-JQWIXIFHSA-N 0 1 249.358 2.346 20 0 BEADMN COCCN(Cc1c(N)cccc1F)C(C)C ZINC000122616989 961137966 /nfs/dbraw/zinc/13/79/66/961137966.db2.gz NHSLBTQOSQTUAG-UHFFFAOYSA-N 0 1 240.322 2.265 20 0 BEADMN CC(=O)OCc1ccc(CN2CCC[C@@H]3C[C@@H]32)o1 ZINC001141793449 961151700 /nfs/dbraw/zinc/15/17/00/961151700.db2.gz AJERKJCDQKBTNR-RISCZKNCSA-N 0 1 249.310 2.327 20 0 BEADMN CCC[C@H](C)C(=O)NC1CN(CC2CCC2)C1 ZINC001481550852 961193902 /nfs/dbraw/zinc/19/39/02/961193902.db2.gz VMIXYLHOHLPOHB-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CCOC)Cc1[nH]cnc1C(C)(C)C ZINC001142208775 961347495 /nfs/dbraw/zinc/34/74/95/961347495.db2.gz BWQBCEOBLXRRPL-UHFFFAOYSA-N 0 1 239.363 2.176 20 0 BEADMN CCCOCCNc1ccncc1C(F)(F)F ZINC001167873273 961389084 /nfs/dbraw/zinc/38/90/84/961389084.db2.gz KBQNCTAUQVRERU-UHFFFAOYSA-N 0 1 248.248 2.361 20 0 BEADMN CCCOCCNc1ccnc2c1ccn2C ZINC001167875423 961417823 /nfs/dbraw/zinc/41/78/23/961417823.db2.gz ONHRSPNSUUQAIL-UHFFFAOYSA-N 0 1 233.315 2.412 20 0 BEADMN CCCCN(C)Cc1cnc(Cl)nc1NC ZINC001142473879 961450499 /nfs/dbraw/zinc/45/04/99/961450499.db2.gz YBGNVWKQGFQHHD-UHFFFAOYSA-N 0 1 242.754 2.404 20 0 BEADMN CCC[C@@H](C)C(=O)NC1CN(CCC(C)C)C1 ZINC001268266296 961515927 /nfs/dbraw/zinc/51/59/27/961515927.db2.gz RZEXNCGMVVVCHM-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN FC1(C2CC2)CN(Cc2cccc3nc[nH]c32)C1 ZINC001142673037 961589833 /nfs/dbraw/zinc/58/98/33/961589833.db2.gz WJSXJXNTGROIFB-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN CN(Cc1ccon1)Cc1cccc2nc[nH]c21 ZINC001142690005 961620303 /nfs/dbraw/zinc/62/03/03/961620303.db2.gz PPAWAADZJYINBN-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CN(Cc1cccc2nc[nH]c21)CC(F)F ZINC001142700096 961651920 /nfs/dbraw/zinc/65/19/20/961651920.db2.gz KPIAKVPRZUVZLE-UHFFFAOYSA-N 0 1 225.242 2.260 20 0 BEADMN O=C(N[C@@H]1CC12CC2)c1ccc(Cl)c(O)c1 ZINC001142753058 961704139 /nfs/dbraw/zinc/70/41/39/961704139.db2.gz OWGGAFBUSOTLNB-SNVBAGLBSA-N 0 1 237.686 2.328 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1ccnc(N)n1 ZINC000087824698 961755124 /nfs/dbraw/zinc/75/51/24/961755124.db2.gz VXXZHZKLNITHAE-ZJUUUORDSA-N 0 1 220.320 2.297 20 0 BEADMN O[C@@H]1CCN(CC2(c3ccccc3)CC2)C[C@H]1F ZINC001207832914 961819769 /nfs/dbraw/zinc/81/97/69/961819769.db2.gz GECWDBFBTQYHRS-ZIAGYGMSSA-N 0 1 249.329 2.123 20 0 BEADMN C[C@@H]1CN(Cc2cccc3nonc32)C[C@@H]1F ZINC001203127675 961859744 /nfs/dbraw/zinc/85/97/44/961859744.db2.gz NPCKHFYWHMQWJX-SCZZXKLOSA-N 0 1 235.262 2.013 20 0 BEADMN CC[C@H]1COCCN1Cc1cccc2n[nH]cc21 ZINC001143096654 961876845 /nfs/dbraw/zinc/87/68/45/961876845.db2.gz FDIARRIRSQFZGA-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCCC3)c(N)n1 ZINC001143196431 961929170 /nfs/dbraw/zinc/92/91/70/961929170.db2.gz AXLTUMACMZWHCD-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN CC1(C)CN(Cc2cc3cccnc3[nH]2)C1 ZINC001143212193 961955587 /nfs/dbraw/zinc/95/55/87/961955587.db2.gz OSSFZFJTHZEBEH-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN FC[C@@H]1C[C@H](F)CN1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167931854 962065859 /nfs/dbraw/zinc/06/58/59/962065859.db2.gz QARKOIKROSKZJV-HWUMTFDVSA-N 0 1 201.260 2.167 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC2(CCC2)C1 ZINC001150289575 962155716 /nfs/dbraw/zinc/15/57/16/962155716.db2.gz NSOHDAHGZQCDFE-UHFFFAOYSA-N 0 1 241.294 2.189 20 0 BEADMN CCCCOC1CN([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167941244 962189683 /nfs/dbraw/zinc/18/96/83/962189683.db2.gz VWGYPHSRCDLZGS-GDNZZTSVSA-N 0 1 209.333 2.286 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000400066472 962206602 /nfs/dbraw/zinc/20/66/02/962206602.db2.gz DFBUXCYMJJTZCJ-JTQLQIEISA-N 0 1 235.283 2.210 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000400066473 962211424 /nfs/dbraw/zinc/21/14/24/962211424.db2.gz DFBUXCYMJJTZCJ-SNVBAGLBSA-N 0 1 235.283 2.210 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@H]1CCC(C)(C)C1 ZINC000361174848 962217956 /nfs/dbraw/zinc/21/79/56/962217956.db2.gz HEQDWGURUPRNOR-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)CCC(C)C ZINC001151805652 962338813 /nfs/dbraw/zinc/33/88/13/962338813.db2.gz BUGXVIXZSRGHPI-GFCCVEGCSA-N 0 1 246.370 2.219 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccccc1O ZINC000132569855 962460225 /nfs/dbraw/zinc/46/02/25/962460225.db2.gz XBNOGXAHSJJXQJ-UHFFFAOYSA-N 0 1 245.282 2.320 20 0 BEADMN O=C(Nc1ccccc1)c1cc2c[nH]cnc-2n1 ZINC001152984962 962509810 /nfs/dbraw/zinc/50/98/10/962509810.db2.gz DBMFWDSUPYCNKR-UHFFFAOYSA-N 0 1 238.250 2.162 20 0 BEADMN CC(C)N(C(=O)c1n[nH]c2cccnc21)C(C)C ZINC001153145819 962540234 /nfs/dbraw/zinc/54/02/34/962540234.db2.gz SDIOYJSDQVOKAJ-UHFFFAOYSA-N 0 1 246.314 2.217 20 0 BEADMN CN(Cc1nccs1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950966 962654484 /nfs/dbraw/zinc/65/44/84/962654484.db2.gz FNWLBRJSRZWDLH-ILWJIGKKSA-N 0 1 208.330 2.373 20 0 BEADMN CCC(=O)N(C)C1CN(C[C@H](C)CC(C)C)C1 ZINC001269744970 962779801 /nfs/dbraw/zinc/77/98/01/962779801.db2.gz JKPAWDMQZRHBNT-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H]1CCN(C(=O)CCc2cc(C)[nH]n2)[C@@H]1C ZINC001154802677 962851841 /nfs/dbraw/zinc/85/18/41/962851841.db2.gz WYBIVFJURAXSBL-NEPJUHHUSA-N 0 1 249.358 2.298 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)n1 ZINC000300144000 962985730 /nfs/dbraw/zinc/98/57/30/962985730.db2.gz RWRIEKSHLLDRMY-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN COc1ccnc(NCc2ccncc2C)c1 ZINC001155217666 963028150 /nfs/dbraw/zinc/02/81/50/963028150.db2.gz LSTPZQGQMVHKHJ-UHFFFAOYSA-N 0 1 229.283 2.406 20 0 BEADMN CCCCOC[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226155159 963069371 /nfs/dbraw/zinc/06/93/71/963069371.db2.gz CSRUNWHRGXBGMW-SNVBAGLBSA-N 0 1 240.303 2.075 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H]1COC2(CCC2)C1 ZINC000688270412 963115340 /nfs/dbraw/zinc/11/53/40/963115340.db2.gz CRRDYTJXZQGNEZ-VXGBXAGGSA-N 0 1 247.342 2.147 20 0 BEADMN Cc1ccc(N(CCO)CC(F)(F)F)nc1C ZINC001155768705 963168279 /nfs/dbraw/zinc/16/82/79/963168279.db2.gz CPABUHLXMIGWAT-UHFFFAOYSA-N 0 1 248.248 2.059 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1cccc2cncn21 ZINC001155787146 963172646 /nfs/dbraw/zinc/17/26/46/963172646.db2.gz QUCGIEBWASWLHJ-SNVBAGLBSA-N 0 1 231.299 2.109 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1cccc2cncn21 ZINC001155800122 963175092 /nfs/dbraw/zinc/17/50/92/963175092.db2.gz RLAXGPRZLBGYSD-NSHDSACASA-N 0 1 241.294 2.173 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2nccnc2C)CO1 ZINC000688440567 963182666 /nfs/dbraw/zinc/18/26/66/963182666.db2.gz UMERRWRMOFMSIV-QJPTWQEYSA-N 0 1 235.331 2.003 20 0 BEADMN CC[C@H](C)Nc1cccc(CN(C)C)n1 ZINC001167999627 963213763 /nfs/dbraw/zinc/21/37/63/963213763.db2.gz NDKSWGKRMKKPPE-JTQLQIEISA-N 0 1 207.321 2.354 20 0 BEADMN CC[C@@H](C)Nc1cccc(CN(C)C)n1 ZINC001167999630 963215023 /nfs/dbraw/zinc/21/50/23/963215023.db2.gz NDKSWGKRMKKPPE-SNVBAGLBSA-N 0 1 207.321 2.354 20 0 BEADMN Cc1nonc1CNc1cc(OC(C)C)ccn1 ZINC001156085313 963255782 /nfs/dbraw/zinc/25/57/82/963255782.db2.gz IYAGNCSFPFUICS-UHFFFAOYSA-N 0 1 248.286 2.172 20 0 BEADMN Cc1cnc(NCCCc2ccncc2)c(N)c1 ZINC001156407565 963337988 /nfs/dbraw/zinc/33/79/88/963337988.db2.gz NXJUVCXWTRFGAF-UHFFFAOYSA-N 0 1 242.326 2.412 20 0 BEADMN C[C@H](Nc1nccnc1CN)[C@]12C[C@H]1CCCC2 ZINC001354246925 963359754 /nfs/dbraw/zinc/35/97/54/963359754.db2.gz LVZJJDPVJIKIOQ-WDMOLILDSA-N 0 1 246.358 2.316 20 0 BEADMN Cc1cc(F)cc(C[N@H+](C)[C@H]2CCOC2)c1 ZINC001143589836 963384217 /nfs/dbraw/zinc/38/42/17/963384217.db2.gz HDUKHMYYCYPFSZ-ZDUSSCGKSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cc(CN2CCN(C)CC2)cc(F)c1F ZINC001143591843 963390565 /nfs/dbraw/zinc/39/05/65/963390565.db2.gz MCFHKNSCEILMRE-UHFFFAOYSA-N 0 1 240.297 2.021 20 0 BEADMN COCCN(C)Cc1cc(C)c(F)c(F)c1 ZINC001143592433 963393159 /nfs/dbraw/zinc/39/31/59/963393159.db2.gz RKAIAXGMRMWEGJ-UHFFFAOYSA-N 0 1 229.270 2.351 20 0 BEADMN O=C([O-])CC1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000310519196 963414804 /nfs/dbraw/zinc/41/48/04/963414804.db2.gz WDNVUBUKIVUZFU-TXEJJXNPSA-N 0 1 237.343 2.363 20 0 BEADMN CCOc1ccnc(N2CC3CC(C3)C2)c1 ZINC001156892482 963483460 /nfs/dbraw/zinc/48/34/60/963483460.db2.gz GQZXXAIMAIDSRU-UHFFFAOYSA-N 0 1 218.300 2.327 20 0 BEADMN F[C@@H]1CCCC[C@@H]1Oc1ncnc2nc[nH]c21 ZINC001227534971 963531981 /nfs/dbraw/zinc/53/19/81/963531981.db2.gz PUUKYVXSWOXJTL-SFYZADRCSA-N 0 1 236.250 2.012 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686483 963553124 /nfs/dbraw/zinc/55/31/24/963553124.db2.gz QLFPEUFPJMBDCA-YUMQZZPRSA-N 0 1 238.287 2.026 20 0 BEADMN N=C(N)N(c1ccc(F)cc1)c1cc(F)ccn1 ZINC001157224675 963556263 /nfs/dbraw/zinc/55/62/63/963556263.db2.gz AZXCUZDTOBSVBW-UHFFFAOYSA-N 0 1 248.236 2.391 20 0 BEADMN CCOC[C@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000313210363 963623385 /nfs/dbraw/zinc/62/33/85/963623385.db2.gz OXGOQYVBQFBEJF-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2cnc3nc[nH]c3c2)o1 ZINC001256636836 1169828217 /nfs/dbraw/zinc/82/82/17/1169828217.db2.gz ZJWALEVHCBEEMC-HTRCEHHLSA-N 0 1 241.254 2.131 20 0 BEADMN CCOc1ccnc(NCC2(CC)COC2)c1 ZINC001157541755 963653632 /nfs/dbraw/zinc/65/36/32/963653632.db2.gz CGGBSDIKIHSIBW-UHFFFAOYSA-N 0 1 236.315 2.319 20 0 BEADMN Cc1cnc(NC[C@H]2C[C@@](C)(O)C2)c(C)c1 ZINC001157554008 963659786 /nfs/dbraw/zinc/65/97/86/963659786.db2.gz IMNKBGMLOJTAEH-BJHJDKERSA-N 0 1 220.316 2.271 20 0 BEADMN Cc1cnc(NCC2CC(=O)C2)cc1C ZINC001157611352 963679927 /nfs/dbraw/zinc/67/99/27/963679927.db2.gz RKHWHTVZEMODFG-UHFFFAOYSA-N 0 1 204.273 2.089 20 0 BEADMN Cc1cnc(NCc2ccn(C)c(=O)c2)c(C)c1 ZINC001157615000 963680388 /nfs/dbraw/zinc/68/03/88/963680388.db2.gz WCRGYFKNRQINFZ-UHFFFAOYSA-N 0 1 243.310 2.009 20 0 BEADMN CCN1CCC[C@H](Oc2ncccc2C(C)=O)C1 ZINC001228292789 963731428 /nfs/dbraw/zinc/73/14/28/963731428.db2.gz NVAHQNPHNTWRKL-LBPRGKRZSA-N 0 1 248.326 2.147 20 0 BEADMN C=C/C=C/CC(=O)N1CCN(CC)C[C@H]1CC ZINC001157818264 963737266 /nfs/dbraw/zinc/73/72/66/963737266.db2.gz NVLKZEFTJWQPGI-SBDDDAINSA-N 0 1 236.359 2.061 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2n[nH]c3cccnc32)o1 ZINC001256636522 1169829845 /nfs/dbraw/zinc/82/98/45/1169829845.db2.gz XUQCIFOOVHYTIS-NKWVEPMBSA-N 0 1 241.254 2.131 20 0 BEADMN COc1cccc2c1CC[C@H](N(C)CC(C)=O)C2 ZINC001256644948 1169829931 /nfs/dbraw/zinc/82/99/31/1169829931.db2.gz DJVQJMSCUJULGV-ZDUSSCGKSA-N 0 1 247.338 2.073 20 0 BEADMN COc1cccnc1N1CCN(C(C)C)[C@@H](C)C1 ZINC001158494625 963882780 /nfs/dbraw/zinc/88/27/80/963882780.db2.gz MWBRTIOGLIMYQY-LBPRGKRZSA-N 0 1 249.358 2.009 20 0 BEADMN CC1CCC([NH2+]CCCC[P@](=O)([O-])O)CC1 ZINC001168198995 963964569 /nfs/dbraw/zinc/96/45/69/963964569.db2.gz FVZQARCWTKQZAW-UHFFFAOYSA-N 0 1 249.291 2.113 20 0 BEADMN Cc1cnc(NCC2CN(C)C2)c(Cl)c1 ZINC001159216400 964015994 /nfs/dbraw/zinc/01/59/94/964015994.db2.gz UADKQRNKTPHTRN-UHFFFAOYSA-N 0 1 225.723 2.017 20 0 BEADMN CN1CC(CNc2cc3ccsc3cn2)C1 ZINC001159220517 964026485 /nfs/dbraw/zinc/02/64/85/964026485.db2.gz ZIJIPYIFJGGGIZ-UHFFFAOYSA-N 0 1 233.340 2.270 20 0 BEADMN Cc1nc2cncc(NC[C@H]3C[C@H](F)C3)c2[nH]1 ZINC001168238513 964031066 /nfs/dbraw/zinc/03/10/66/964031066.db2.gz HOJSPBKMGHZSLK-KYZUINATSA-N 0 1 234.278 2.426 20 0 BEADMN Cc1nc2ccc(NC[C@H]3C[C@H](F)C3)nc2[nH]1 ZINC001168237312 964039565 /nfs/dbraw/zinc/03/95/65/964039565.db2.gz FNAUZBLQQHXWAP-KYZUINATSA-N 0 1 234.278 2.426 20 0 BEADMN CCOc1ccnc(N[C@@H]2CCOC[C@H]2C)c1 ZINC001159711888 964162976 /nfs/dbraw/zinc/16/29/76/964162976.db2.gz USFTUAIBJGOTKU-ZYHUDNBSSA-N 0 1 236.315 2.317 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc2cccc(C)c2n1 ZINC001159739730 964170903 /nfs/dbraw/zinc/17/09/03/964170903.db2.gz MFQWWXNEGOJVNC-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC(C)N1CC(Nc2cccc3c2COC3)C1 ZINC001168313847 964414641 /nfs/dbraw/zinc/41/46/41/964414641.db2.gz GKURBGPOEDVFIL-UHFFFAOYSA-N 0 1 232.327 2.221 20 0 BEADMN CC(C)N1CC(Nc2cnc3ccoc3c2)C1 ZINC001168315640 964418975 /nfs/dbraw/zinc/41/89/75/964418975.db2.gz UYWBHYDFMCRBJK-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN CC(C)N1CC(Nc2cccc(C3COC3)c2)C1 ZINC001168314579 964421869 /nfs/dbraw/zinc/42/18/69/964421869.db2.gz OZSORIXXQHAACS-UHFFFAOYSA-N 0 1 246.354 2.305 20 0 BEADMN CCCN(CCC)C(=O)c1n[nH]c2cccnc21 ZINC001160869350 964429483 /nfs/dbraw/zinc/42/94/83/964429483.db2.gz ZJWWTTHZUJUDNY-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN CCC1(Nc2ccncc2C(F)(F)F)COC1 ZINC001168324392 964447982 /nfs/dbraw/zinc/44/79/82/964447982.db2.gz UTTZIBDKZPGAMT-UHFFFAOYSA-N 0 1 246.232 2.113 20 0 BEADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CC=CC1 ZINC001160935312 964451829 /nfs/dbraw/zinc/45/18/29/964451829.db2.gz AWAGQWQSBURSHH-UHFFFAOYSA-N 0 1 245.307 2.150 20 0 BEADMN Cc1nc2cc(NC[C@H]3C[C@@](C)(O)C3)ccc2[nH]1 ZINC001168345673 964486865 /nfs/dbraw/zinc/48/68/65/964486865.db2.gz IYHSYLDYHIWBHQ-WJONMLJTSA-N 0 1 245.326 2.444 20 0 BEADMN CC(C)=CCCNCc1nnc(C)s1 ZINC000697765836 964517259 /nfs/dbraw/zinc/51/72/59/964517259.db2.gz ASWOGSZFVPFIKD-UHFFFAOYSA-N 0 1 211.334 2.292 20 0 BEADMN CC(C)[C@@H](N)c1noc(CCc2ccco2)n1 ZINC000041123437 964524245 /nfs/dbraw/zinc/52/42/45/964524245.db2.gz PGKXYCIPRJYPTF-LLVKDONJSA-N 0 1 235.287 2.104 20 0 BEADMN CCC(=O)N1CC[C@H](Nc2cc(C)c(C)cn2)C1 ZINC001161111507 964528018 /nfs/dbraw/zinc/52/80/18/964528018.db2.gz DRKURPINMPJNRD-LBPRGKRZSA-N 0 1 247.342 2.121 20 0 BEADMN Nc1ccc2c(cnn2-c2cccc3nc[nH]c32)c1 ZINC001213030690 964548903 /nfs/dbraw/zinc/54/89/03/964548903.db2.gz MPPZZMVQEORGJI-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N1CCNC2(CC2)C1 ZINC001161550469 964626095 /nfs/dbraw/zinc/62/60/95/964626095.db2.gz JKUINUIEZUONSK-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccnc(NCC2(c3cnccn3)CC2)c1 ZINC001161622777 964647973 /nfs/dbraw/zinc/64/79/73/964647973.db2.gz NHBXADZCTPZDJX-UHFFFAOYSA-N 0 1 240.310 2.324 20 0 BEADMN FC(F)(F)CNc1cccn2cncc12 ZINC001161632298 964654689 /nfs/dbraw/zinc/65/46/89/964654689.db2.gz AWMXKIPWUCJXHN-UHFFFAOYSA-N 0 1 215.178 2.309 20 0 BEADMN CN1CC(C(=O)Nc2cccc(C(C)(C)C)c2)C1 ZINC001142596083 964661182 /nfs/dbraw/zinc/66/11/82/964661182.db2.gz ZLAZVGOSLGRZSY-UHFFFAOYSA-N 0 1 246.354 2.484 20 0 BEADMN C[NH+](C)CCNc1cc([S-])cc(S)c1 ZINC001161671743 964677861 /nfs/dbraw/zinc/67/78/61/964677861.db2.gz XTUBJCSYVSENGI-UHFFFAOYSA-N 0 1 228.386 2.238 20 0 BEADMN CC(C)(C)CCNc1ncc2nc[nH]c2n1 ZINC001161673826 964679362 /nfs/dbraw/zinc/67/93/62/964679362.db2.gz NWPYDBHQPKNTDD-UHFFFAOYSA-N 0 1 219.292 2.153 20 0 BEADMN O=C([C@@H]1CC2CCN1CC2)N1CCC12CCCC2 ZINC001142629919 964718051 /nfs/dbraw/zinc/71/80/51/964718051.db2.gz YBVYFTLAXKQKHO-ZDUSSCGKSA-N 0 1 248.370 2.016 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)cc(F)c1F ZINC001143607885 964735149 /nfs/dbraw/zinc/73/51/49/964735149.db2.gz ZIMNPJRXIUVHFM-NSHDSACASA-N 0 1 241.281 2.494 20 0 BEADMN Fc1cc2[nH]cnc2cc1NCC(F)F ZINC001161817574 964770674 /nfs/dbraw/zinc/77/06/74/964770674.db2.gz SBXMOLWWFBBORL-UHFFFAOYSA-N 0 1 215.178 2.379 20 0 BEADMN CC(C)(C)Oc1ccnc(NCC2COC2)c1 ZINC001161955071 964834851 /nfs/dbraw/zinc/83/48/51/964834851.db2.gz LOROAHRUZXSFSE-UHFFFAOYSA-N 0 1 236.315 2.317 20 0 BEADMN Cc1cnc(NCc2ccnn2CCF)c(C)c1 ZINC001162018537 964844917 /nfs/dbraw/zinc/84/49/17/964844917.db2.gz KGGZDZNTYUIHPP-UHFFFAOYSA-N 0 1 248.305 2.477 20 0 BEADMN CC(C)(CNc1ccnc(N)n1)CC1CC1 ZINC001162125568 964850702 /nfs/dbraw/zinc/85/07/02/964850702.db2.gz LYBOMPLHCSUDES-UHFFFAOYSA-N 0 1 220.320 2.297 20 0 BEADMN Cc1cc(NC2CC(F)C2)nc2[nH]cnc21 ZINC001162209720 964871005 /nfs/dbraw/zinc/87/10/05/964871005.db2.gz NLYWHCOHMZWEBC-UHFFFAOYSA-N 0 1 220.251 2.179 20 0 BEADMN Nc1cc(NCCC2CCOCC2)ncc1F ZINC001162218287 964875768 /nfs/dbraw/zinc/87/57/68/964875768.db2.gz UGFCJURLBOIAPZ-UHFFFAOYSA-N 0 1 239.294 2.032 20 0 BEADMN CCOC(=O)CN1CC[C@H]2CCCC[C@H]2C1 ZINC000250473154 964876881 /nfs/dbraw/zinc/87/68/81/964876881.db2.gz MVPBXSJJKIEXGS-NEPJUHHUSA-N 0 1 225.332 2.062 20 0 BEADMN CC(C)c1ccc(NC2CN(C(C)(C)C)C2)nn1 ZINC001162221357 964879646 /nfs/dbraw/zinc/87/96/46/964879646.db2.gz KOCQQVCWYJCEIJ-UHFFFAOYSA-N 0 1 248.374 2.495 20 0 BEADMN COc1ccc(C)nc1NC1CN(C(C)(C)C)C1 ZINC001162221918 964879674 /nfs/dbraw/zinc/87/96/74/964879674.db2.gz WMOKOZNQJYVAFP-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN C[C@@]1(O)CC[C@@H](Nc2ccc3nc[nH]c3n2)CC1 ZINC001162354709 964940915 /nfs/dbraw/zinc/94/09/15/964940915.db2.gz JBKDNWCWBNBIIO-GMZHKTEUSA-N 0 1 246.314 2.063 20 0 BEADMN C[C@@H](OC[C@@H]1CCC[N@H+]1C)C1=CC=C[CH]1 ZINC001224817305 964985813 /nfs/dbraw/zinc/98/58/13/964985813.db2.gz MFDQAVKIYMMPTI-YPMHNXCESA-N 0 1 206.309 2.186 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1cnc(CN)nc1 ZINC001162527967 965027610 /nfs/dbraw/zinc/02/76/10/965027610.db2.gz ZTYGEMJGGBPTKJ-GHMZBOCLSA-N 0 1 234.347 2.174 20 0 BEADMN Cc1cnc(NC[C@@H](O)c2ccncc2)c(C)c1 ZINC001162547168 965036232 /nfs/dbraw/zinc/03/62/32/965036232.db2.gz IWBQBELZQMWCGG-CYBMUJFWSA-N 0 1 243.310 2.239 20 0 BEADMN Cc1cc(NCc2cccn2C)nc2[nH]cnc21 ZINC001162706126 965129985 /nfs/dbraw/zinc/12/99/85/965129985.db2.gz HLOMIGKJKXDZDE-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CCC2(CC2)CC1 ZINC000695979422 965206639 /nfs/dbraw/zinc/20/66/39/965206639.db2.gz JZPFFPAMNAIYPM-LLVKDONJSA-N 0 1 223.316 2.258 20 0 BEADMN CC1CN(Cc2cc3ccncc3[nH]2)C1 ZINC001232090518 965304013 /nfs/dbraw/zinc/30/40/13/965304013.db2.gz HYEJJHBUVCYJOY-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN C[C@](O)(CN1CC(c2ccccc2)C1)C(F)F ZINC000698566035 965335473 /nfs/dbraw/zinc/33/54/73/965335473.db2.gz YQSWSVKKZYHMOY-ZDUSSCGKSA-N 0 1 241.281 2.102 20 0 BEADMN C[C@H]1C[C@H](O)CCN1Cc1cc2ccoc2cn1 ZINC001232553704 965381206 /nfs/dbraw/zinc/38/12/06/965381206.db2.gz CJTJDCWFBLOLDQ-GXFFZTMASA-N 0 1 246.310 2.173 20 0 BEADMN COc1cccc(C[N@@H+](C)C/C=C(/C)C(=O)[O-])c1 ZINC000088630470 965504377 /nfs/dbraw/zinc/50/43/77/965504377.db2.gz NGIYAFSMOZIZFF-XFFZJAGNSA-N 0 1 249.310 2.158 20 0 BEADMN CC1(C)CC=C(C(=O)NC23CCN(CC2)C3)CC1 ZINC000913634788 965624926 /nfs/dbraw/zinc/62/49/26/965624926.db2.gz FEXKLKFGNNBWBX-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN Cc1nonc1CNc1ncc(C)c2cc[nH]c21 ZINC001164054261 965716267 /nfs/dbraw/zinc/71/62/67/965716267.db2.gz HXJVSFQIUSEETE-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2COC[C@H]2C)cs1 ZINC000699464017 965881279 /nfs/dbraw/zinc/88/12/79/965881279.db2.gz LSALSESQTKYWFQ-KHQFGBGNSA-N 0 1 226.345 2.137 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2COC[C@@H]2CC)o1 ZINC000699494103 965917739 /nfs/dbraw/zinc/91/77/39/965917739.db2.gz OGAYSEOIVUJUMK-WDEREUQCSA-N 0 1 238.331 2.060 20 0 BEADMN CCc1ccc(CN2CC[C@H]3OCC[C@H]32)o1 ZINC001204391304 965947494 /nfs/dbraw/zinc/94/74/94/965947494.db2.gz QICNZRMFMPDLOX-CHWSQXEVSA-N 0 1 221.300 2.205 20 0 BEADMN Cc1ncn(C)c1CN1CCC(C(F)F)CC1 ZINC001235553322 966082060 /nfs/dbraw/zinc/08/20/60/966082060.db2.gz PTFBOOBVZOFUOS-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(F)ccc1C ZINC000059558538 966148435 /nfs/dbraw/zinc/14/84/35/966148435.db2.gz WDAUTVAXNFCWRI-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN COCC(C)(C)Nc1cn2ccnc2cc1C ZINC001166002000 966225148 /nfs/dbraw/zinc/22/51/48/966225148.db2.gz FGOGBAWQTWTHEG-UHFFFAOYSA-N 0 1 233.315 2.480 20 0 BEADMN Nc1cncn1-c1ccnc(Cl)c1Cl ZINC001212234491 966269725 /nfs/dbraw/zinc/26/97/25/966269725.db2.gz FLMMJVXUYYNKKH-UHFFFAOYSA-N 0 1 229.070 2.156 20 0 BEADMN Nc1ccc(-c2cc3[nH]ccc3cn2)cn1 ZINC001236305956 966362374 /nfs/dbraw/zinc/36/23/74/966362374.db2.gz AAWSMVSEVAHSIT-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1nc(C2=CCSCC2)nc2nc[nH]c21 ZINC001236363579 966379607 /nfs/dbraw/zinc/37/96/07/966379607.db2.gz WOPBDOLPGWQHQS-UHFFFAOYSA-N 0 1 232.312 2.133 20 0 BEADMN c1cc2[nH]nnc2c(C2=CCSCC2)c1 ZINC001236366399 966383799 /nfs/dbraw/zinc/38/37/99/966383799.db2.gz DWHBBUVCJAEWIQ-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN Cc1cnc(N2CCC[C@@H](C(F)F)C2)c(N)c1 ZINC001166773560 966406517 /nfs/dbraw/zinc/40/65/17/966406517.db2.gz COKSWYXNXFQRKT-SECBINFHSA-N 0 1 241.285 2.454 20 0 BEADMN Cc1nc2cc(Nc3cnn(C)c3)ccc2[nH]1 ZINC001213070244 966461282 /nfs/dbraw/zinc/46/12/82/966461282.db2.gz GRRHBVIZFXONOC-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nc2ccc(Nc3cnn(C)c3)cc2[nH]1 ZINC001213070244 966461294 /nfs/dbraw/zinc/46/12/94/966461294.db2.gz GRRHBVIZFXONOC-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCOc1ccnc(N2CCC[C@@H](OC)C2)c1 ZINC001166952268 966477060 /nfs/dbraw/zinc/47/70/60/966477060.db2.gz OVOLBQPCHJXFGY-GFCCVEGCSA-N 0 1 236.315 2.096 20 0 BEADMN CO[C@@H]1CCCN(c2ccc(C)c(C)n2)C1 ZINC001166952498 966479960 /nfs/dbraw/zinc/47/99/60/966479960.db2.gz XRHMKPSJJDCMGQ-GFCCVEGCSA-N 0 1 220.316 2.314 20 0 BEADMN c1nc2ccccn2c1CN1CCC[C@@H]2C[C@@H]21 ZINC001203157117 966534955 /nfs/dbraw/zinc/53/49/55/966534955.db2.gz LBKCOROEIIJNKC-YPMHNXCESA-N 0 1 227.311 2.319 20 0 BEADMN Cc1cncc(CN2CCC(OC(C)C)CC2)n1 ZINC001203170714 966540501 /nfs/dbraw/zinc/54/05/01/966540501.db2.gz OIQADDUJZFCCNS-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(CO)cc1 ZINC001203181757 966543930 /nfs/dbraw/zinc/54/39/30/966543930.db2.gz FPNIIDMVKSKUBJ-ZWNOBZJWSA-N 0 1 223.291 2.111 20 0 BEADMN Cc1ccc2nc(N)n(/C=C/C(C)(C)O)c2c1 ZINC001203210110 966554204 /nfs/dbraw/zinc/55/42/04/966554204.db2.gz WRMGZNJJJFZLIQ-VOTSOKGWSA-N 0 1 231.299 2.169 20 0 BEADMN CC[C@@H](c1ccccc1)N(C)Cc1c[nH]nn1 ZINC001203206612 966556442 /nfs/dbraw/zinc/55/64/42/966556442.db2.gz CJXQYLCSGYEOFO-ZDUSSCGKSA-N 0 1 230.315 2.388 20 0 BEADMN CCc1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)on1 ZINC001203220285 966563807 /nfs/dbraw/zinc/56/38/07/966563807.db2.gz ZCXDQUVEAVZOLU-KCJUWKMLSA-N 0 1 242.269 2.324 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cc(CC)no2)C1 ZINC001203218122 966566864 /nfs/dbraw/zinc/56/68/64/966566864.db2.gz ARTNSHWBMWMERZ-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)on1 ZINC001203226355 966570505 /nfs/dbraw/zinc/57/05/05/966570505.db2.gz LQGUGOKDCKPCRD-GXSJLCMTSA-N 0 1 206.289 2.221 20 0 BEADMN CCc1cc(CN2CCC[C@H](CF)C2)on1 ZINC001203225293 966571615 /nfs/dbraw/zinc/57/16/15/966571615.db2.gz NLIIFRSKEXAEAQ-SNVBAGLBSA-N 0 1 226.295 2.419 20 0 BEADMN CCc1cc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)on1 ZINC001203231565 966571707 /nfs/dbraw/zinc/57/17/07/966571707.db2.gz HHORNVBHMBQBIB-MFKMUULPSA-N 0 1 248.326 2.038 20 0 BEADMN CCc1nc(C)c(CN2CC[C@]3(CCCO3)C2)[nH]1 ZINC001203236443 966574153 /nfs/dbraw/zinc/57/41/53/966574153.db2.gz NFWMVRTZYHEBAN-CQSZACIVSA-N 0 1 249.358 2.035 20 0 BEADMN CCCO[C@@H]1CCN(Cc2ccco2)C1 ZINC001203278551 966598400 /nfs/dbraw/zinc/59/84/00/966598400.db2.gz XINZPZMFBULRNG-GFCCVEGCSA-N 0 1 209.289 2.281 20 0 BEADMN O[C@@H]1CCN(Cc2ccccc2F)CC[C@@H]1F ZINC001203345917 966606510 /nfs/dbraw/zinc/60/65/10/966606510.db2.gz BVUFAFSRYZRUTE-QWHCGFSZSA-N 0 1 241.281 2.121 20 0 BEADMN COc1ccccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001203427192 966643630 /nfs/dbraw/zinc/64/36/30/966643630.db2.gz FFJWFFCPUGTMFX-RWMBFGLXSA-N 0 1 235.302 2.485 20 0 BEADMN COc1cccc(CN2CC[C@@H]2C)c1OC ZINC001203443756 966649836 /nfs/dbraw/zinc/64/98/36/966649836.db2.gz MHDIMHXVSRZJLQ-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN CC[C@H]1c2ccccc2CCN1Cc1nnc[nH]1 ZINC001237600750 966672649 /nfs/dbraw/zinc/67/26/49/966672649.db2.gz DQMUWJSVTAXFAU-ZDUSSCGKSA-N 0 1 242.326 2.314 20 0 BEADMN CC(=O)N1CCN(Cc2ccccc2C)C[C@@H]1C ZINC001203709020 966741990 /nfs/dbraw/zinc/74/19/90/966741990.db2.gz WXIRTKLJQZGLRO-ZDUSSCGKSA-N 0 1 246.354 2.048 20 0 BEADMN CO[C@@H]1CN(Cc2ccc(C)cc2C)C[C@@H]1F ZINC001203728856 966755616 /nfs/dbraw/zinc/75/56/16/966755616.db2.gz DTWCSJYOFVGBTG-UONOGXRCSA-N 0 1 237.318 2.472 20 0 BEADMN CO[C@H]1CN(Cc2ccc(C)cc2C)C[C@@H]1F ZINC001203728853 966760885 /nfs/dbraw/zinc/76/08/85/966760885.db2.gz DTWCSJYOFVGBTG-KBPBESRZSA-N 0 1 237.318 2.472 20 0 BEADMN COc1cc(CN2CC[C@@H]2C)cc(OC)c1 ZINC001203851726 966791295 /nfs/dbraw/zinc/79/12/95/966791295.db2.gz BVPCSAQOTHVMLA-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN FC(F)[C@@H]1CCCN(Cc2ccc[nH]2)C1 ZINC001204009735 966847683 /nfs/dbraw/zinc/84/76/83/966847683.db2.gz FWAAANLNZPNSCV-SECBINFHSA-N 0 1 214.259 2.492 20 0 BEADMN c1c[nH]c(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC001204011055 966852634 /nfs/dbraw/zinc/85/26/34/966852634.db2.gz HCAIUAIAYITCPZ-ZDUSSCGKSA-N 0 1 243.310 2.063 20 0 BEADMN C[C@H]1CN(Cc2c[nH]c3ccccc23)CCO1 ZINC001204042542 966863956 /nfs/dbraw/zinc/86/39/56/966863956.db2.gz RDWNABSWNNCIQV-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN Oc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001204090163 966889905 /nfs/dbraw/zinc/88/99/05/966889905.db2.gz DBPYQUOJJHNEJH-WCFLWFBJSA-N 0 1 221.275 2.182 20 0 BEADMN CCOc1cc(CN2CCC2)ccc1OC ZINC001204184256 966919605 /nfs/dbraw/zinc/91/96/05/966919605.db2.gz BPRDZOQYHWGOAW-UHFFFAOYSA-N 0 1 221.300 2.300 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cccc(F)c1F ZINC001204192920 966922792 /nfs/dbraw/zinc/92/27/92/966922792.db2.gz FBNINMOXZFWOTR-ONGXEEELSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)(C)C[N@@H+](C/C=C/Cl)CC(=O)[O-] ZINC000692601088 966927888 /nfs/dbraw/zinc/92/78/88/966927888.db2.gz QMQMPNPLSONMOG-SNAWJCMRSA-N 0 1 219.712 2.172 20 0 BEADMN CC(C)c1nc(CC[N@@H+](C)Cc2ccoc2)no1 ZINC001204241579 966937922 /nfs/dbraw/zinc/93/79/22/966937922.db2.gz IGRGIMMBNJJGRG-UHFFFAOYSA-N 0 1 249.314 2.461 20 0 BEADMN CC(C)c1nc(CCN(C)Cc2ccoc2)no1 ZINC001204241579 966937927 /nfs/dbraw/zinc/93/79/27/966937927.db2.gz IGRGIMMBNJJGRG-UHFFFAOYSA-N 0 1 249.314 2.461 20 0 BEADMN c1cc(CN2CCC[C@]3(CCO3)C2)co1 ZINC001204245428 966944473 /nfs/dbraw/zinc/94/44/73/966944473.db2.gz OAFINHPPJSJNGM-LBPRGKRZSA-N 0 1 207.273 2.035 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2nccnc2CN)[C@@H](C)C1 ZINC001336514260 1169899794 /nfs/dbraw/zinc/89/97/94/1169899794.db2.gz SSWRZHZAEHWCML-OUAUKWLOSA-N 0 1 234.347 2.172 20 0 BEADMN CCN(Cc1cn(C)c2ccccc12)C1COC1 ZINC001204325187 966971120 /nfs/dbraw/zinc/97/11/20/966971120.db2.gz OXJJLKSMQOOTDC-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN Cc1csc(CN2CC[C@](C)(O)[C@H](C)C2)n1 ZINC001204374448 966982066 /nfs/dbraw/zinc/98/20/66/966982066.db2.gz LGWGDNPBOHLZCC-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)n1 ZINC001204374218 966983758 /nfs/dbraw/zinc/98/37/58/966983758.db2.gz DXQBBXKQCHKGHK-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CCC[C@@H](O)[C@@H](C)C2)n1 ZINC001204374218 966983765 /nfs/dbraw/zinc/98/37/65/966983765.db2.gz DXQBBXKQCHKGHK-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN C(=C/c1ncc2c(n1)CNC2)\c1ccccc1 ZINC001239591705 967028083 /nfs/dbraw/zinc/02/80/83/967028083.db2.gz JMGJUDSYPGDHFL-VOTSOKGWSA-N 0 1 223.279 2.250 20 0 BEADMN COc1ccc2[nH]c(-n3cnc(C)c3N)cc2c1 ZINC001249883644 967125063 /nfs/dbraw/zinc/12/50/63/967125063.db2.gz RTIAXCCMHBFBTG-UHFFFAOYSA-N 0 1 242.282 2.253 20 0 BEADMN O=C(Cc1ccc2[nH]nnc2c1)c1ccccc1 ZINC001249884480 967126243 /nfs/dbraw/zinc/12/62/43/967126243.db2.gz NDQGGCIRZHYLFC-UHFFFAOYSA-N 0 1 237.262 2.383 20 0 BEADMN O=C(Cc1ccc2nn[nH]c2c1)c1ccccc1 ZINC001249884480 967126247 /nfs/dbraw/zinc/12/62/47/967126247.db2.gz NDQGGCIRZHYLFC-UHFFFAOYSA-N 0 1 237.262 2.383 20 0 BEADMN N#CNc1nc2cccc(Br)c2[nH]1 ZINC001168630892 967142785 /nfs/dbraw/zinc/14/27/85/967142785.db2.gz GXRSDRIGZUCRJP-UHFFFAOYSA-N 0 1 237.060 2.218 20 0 BEADMN COCCc1cc(Cl)c(O)cc1F ZINC001249939698 967180486 /nfs/dbraw/zinc/18/04/86/967180486.db2.gz AREMMGGINFZXDR-UHFFFAOYSA-N 0 1 204.628 2.374 20 0 BEADMN C[C@H]1CCN1Cc1cc(F)cc(N(C)C)c1 ZINC001249944233 967186443 /nfs/dbraw/zinc/18/64/43/967186443.db2.gz UZGCADKBULDODM-JTQLQIEISA-N 0 1 222.307 2.486 20 0 BEADMN CNc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC001204881025 967211660 /nfs/dbraw/zinc/21/16/60/967211660.db2.gz KUFRPGJFCFFKEX-UHFFFAOYSA-N 0 1 234.343 2.339 20 0 BEADMN CNc1ccccc1CN1CCOC(C)(C)C1 ZINC001204881025 967211664 /nfs/dbraw/zinc/21/16/64/967211664.db2.gz KUFRPGJFCFFKEX-UHFFFAOYSA-N 0 1 234.343 2.339 20 0 BEADMN COc1ncc(-c2cncc3cc[nH]c32)cn1 ZINC001239846716 967228584 /nfs/dbraw/zinc/22/85/84/967228584.db2.gz UPDJSNYJJBFGMW-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1cccc2cncn21 ZINC001239858242 967233311 /nfs/dbraw/zinc/23/33/11/967233311.db2.gz MIHBYMIJOCTHEQ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COCCOCc1ccc2c(c1)n[nH]c2C ZINC001250001128 967257600 /nfs/dbraw/zinc/25/76/00/967257600.db2.gz BJPGIDQPOFPSAH-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN COC[C@H](C)CN1CCC=C(Br)C1 ZINC000388651408 967258096 /nfs/dbraw/zinc/25/80/96/967258096.db2.gz RUNJLCVLAAQGIT-SECBINFHSA-N 0 1 248.164 2.253 20 0 BEADMN Cc1[nH]nc2cc(CC(=O)OC(C)C)ccc12 ZINC001250085217 967347817 /nfs/dbraw/zinc/34/78/17/967347817.db2.gz BTUAJFBWZWOMIA-UHFFFAOYSA-N 0 1 232.283 2.365 20 0 BEADMN C[C@H]1C[N@H+](Cc2nccn2C)CCC[C@@H]1C ZINC001205112192 967361485 /nfs/dbraw/zinc/36/14/85/967361485.db2.gz YYVRWLHCKVOHKI-RYUDHWBXSA-N 0 1 221.348 2.288 20 0 BEADMN Cn1ccnc1CN1CC2CCC(CC2)C1 ZINC001205143958 967388668 /nfs/dbraw/zinc/38/86/68/967388668.db2.gz LLCURCCDLZDQMW-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1cc2c(nn1)CNC2 ZINC001168696395 967414655 /nfs/dbraw/zinc/41/46/55/967414655.db2.gz SOYIUZVKAAXLSH-NXEZZACHSA-N 0 1 234.347 2.316 20 0 BEADMN Cc1nnc(C(=O)NC(C)(C)CC(C)(C)C)[nH]1 ZINC000095058832 967430300 /nfs/dbraw/zinc/43/03/00/967430300.db2.gz WKDYLHFVWIXHPA-UHFFFAOYSA-N 0 1 238.335 2.058 20 0 BEADMN Fc1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001240235224 967444404 /nfs/dbraw/zinc/44/44/04/967444404.db2.gz SJXQGOKILPPIER-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001240235224 967444410 /nfs/dbraw/zinc/44/44/10/967444410.db2.gz SJXQGOKILPPIER-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1cc(N)ncc1Cc1ccc2c(c1)OCO2 ZINC001250155073 967447040 /nfs/dbraw/zinc/44/70/40/967447040.db2.gz LRFICFWQCQEKJB-UHFFFAOYSA-N 0 1 242.278 2.292 20 0 BEADMN CC(=O)c1ccc(CCN(C)C)c(F)c1F ZINC001250159584 967454350 /nfs/dbraw/zinc/45/43/50/967454350.db2.gz FWIAUJDDTKTZSE-UHFFFAOYSA-N 0 1 227.254 2.272 20 0 BEADMN CN(C)c1ccnc(-c2csc(CO)c2)c1 ZINC001205266537 967456267 /nfs/dbraw/zinc/45/62/67/967456267.db2.gz HGJJIUNNHYKYOM-UHFFFAOYSA-N 0 1 234.324 2.368 20 0 BEADMN C[C@H](CCc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC000082717718 967565674 /nfs/dbraw/zinc/56/56/74/967565674.db2.gz RVMGIXYKSMXMEV-LLVKDONJSA-N 0 1 221.300 2.024 20 0 BEADMN CCCC(=O)NCCN(C/C=C\Cl)CCC ZINC001317538769 1169908732 /nfs/dbraw/zinc/90/87/32/1169908732.db2.gz MNCXFQVPJZLNMZ-ALCCZGGFSA-N 0 1 246.782 2.367 20 0 BEADMN Cc1oncc1CC(=O)c1cccs1 ZINC001250305464 967654067 /nfs/dbraw/zinc/65/40/67/967654067.db2.gz XZISNIIEDDTQDM-UHFFFAOYSA-N 0 1 207.254 2.470 20 0 BEADMN FC(F)(F)CCNc1ccnc2[nH]cnc21 ZINC001161825423 967659913 /nfs/dbraw/zinc/65/99/13/967659913.db2.gz KBKKRHWMPIQGAV-UHFFFAOYSA-N 0 1 230.193 2.322 20 0 BEADMN Nc1cn(-c2ccc3cncn3c2)c2ncccc12 ZINC001250323612 967701157 /nfs/dbraw/zinc/70/11/57/967701157.db2.gz HOSKGWFMPFSZIR-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Cc1cncc(Nc2ccc3cncn3c2)n1 ZINC001250322826 967702365 /nfs/dbraw/zinc/70/23/65/967702365.db2.gz NMAZKLCXRDMPAR-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)no1 ZINC001250322467 967702876 /nfs/dbraw/zinc/70/28/76/967702876.db2.gz AERUKXDCDZVNFI-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)nc(C)n1 ZINC001250322773 967703822 /nfs/dbraw/zinc/70/38/22/967703822.db2.gz LJICZVBQSZKWKX-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN Cc1nccnc1Nc1ccc2cncn2c1 ZINC001250324628 967704421 /nfs/dbraw/zinc/70/44/21/967704421.db2.gz UUIMILWCALURIR-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN CCN(CC)Cc1cc(C)c(OC)nc1OC ZINC001250326723 967710038 /nfs/dbraw/zinc/71/00/38/967710038.db2.gz XSPAJXFMJSPNEK-UHFFFAOYSA-N 0 1 238.331 2.249 20 0 BEADMN Cc1cncnc1Nc1ccc2cncn2c1 ZINC001250328654 967711964 /nfs/dbraw/zinc/71/19/64/967711964.db2.gz XKHSKQVSVPPDPO-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN CCn1cnc(Nc2ccc3cncn3c2)c1 ZINC001250328170 967713129 /nfs/dbraw/zinc/71/31/29/967713129.db2.gz LXDCBVNTDBGCIE-UHFFFAOYSA-N 0 1 227.271 2.294 20 0 BEADMN c1cc2c(nc1NC(C1CC1)C1CC1)NCCO2 ZINC001168747381 967728914 /nfs/dbraw/zinc/72/89/14/967728914.db2.gz UGZXZVAGBOKQQH-UHFFFAOYSA-N 0 1 245.326 2.486 20 0 BEADMN Cc1nnc(Cc2ccc3n[nH]c(C)c3c2)o1 ZINC001250339002 967730262 /nfs/dbraw/zinc/73/02/62/967730262.db2.gz LDFNBFZODNMPTD-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1nc2cncc(NC3CC(F)C3)c2[nH]1 ZINC001162213947 967741187 /nfs/dbraw/zinc/74/11/87/967741187.db2.gz IZHFCUYEUADPFX-UHFFFAOYSA-N 0 1 220.251 2.179 20 0 BEADMN Cc1nc2ccc(NC3CC(F)C3)nc2[nH]1 ZINC001162212591 967743814 /nfs/dbraw/zinc/74/38/14/967743814.db2.gz RVPLPPWNBFEXLF-UHFFFAOYSA-N 0 1 220.251 2.179 20 0 BEADMN CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(C)ccc1F ZINC001205670577 967757405 /nfs/dbraw/zinc/75/74/05/967757405.db2.gz QMUULLYBBVYERK-KBPBESRZSA-N 0 1 248.345 2.413 20 0 BEADMN c1nocc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001205697140 967787165 /nfs/dbraw/zinc/78/71/65/967787165.db2.gz NNQJDRRYDLWKBU-CQSZACIVSA-N 0 1 244.294 2.328 20 0 BEADMN CC(C)(C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250416482 967822232 /nfs/dbraw/zinc/82/22/32/967822232.db2.gz UMCRYKWXOLATIN-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CC(=O)NCCN[C@H](C)c1ccccc1Cl ZINC000020148810 967831761 /nfs/dbraw/zinc/83/17/61/967831761.db2.gz SOPKXAOCLQBRGW-SECBINFHSA-N 0 1 240.734 2.127 20 0 BEADMN Cc1cccc(Cc2ccc3[nH]nnc3c2)n1 ZINC001250422863 967832169 /nfs/dbraw/zinc/83/21/69/967832169.db2.gz JEUFMOGZMSIQRU-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1cccc(Cc2ccc3nn[nH]c3c2)n1 ZINC001250422863 967832175 /nfs/dbraw/zinc/83/21/75/967832175.db2.gz JEUFMOGZMSIQRU-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC001250424625 967838669 /nfs/dbraw/zinc/83/86/69/967838669.db2.gz MODAEYJMFNTULV-UHFFFAOYSA-N 0 1 216.219 2.196 20 0 BEADMN Cc1c2[nH]c(-c3cc[nH]n3)nc2ccc1F ZINC001250437833 967860564 /nfs/dbraw/zinc/86/05/64/967860564.db2.gz AAQSCYODATXAEQ-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN COc1cc2nc(-c3cn[nH]c3)[nH]c2cc1F ZINC001250438970 967862187 /nfs/dbraw/zinc/86/21/87/967862187.db2.gz CZXLMFJBLFYAHH-UHFFFAOYSA-N 0 1 232.218 2.101 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(O)c1F ZINC001212548403 967864845 /nfs/dbraw/zinc/86/48/45/967864845.db2.gz LMSZDYPKSBQYLV-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Oc1cc(F)c(-c2cnccn2)cc1F ZINC001250443152 967867173 /nfs/dbraw/zinc/86/71/73/967867173.db2.gz UTEYPPCQYGPXIZ-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1cc(CN2CCCCC23CC3)n(C)n1 ZINC001205919257 967885538 /nfs/dbraw/zinc/88/55/38/967885538.db2.gz LSKPCRHPUAUKFB-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])n1 ZINC000300272161 967909303 /nfs/dbraw/zinc/90/93/03/967909303.db2.gz KWGHGCCVWLYLAK-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Oc1ccc(-c2ncc(F)cn2)c(F)c1F ZINC001250478046 967918614 /nfs/dbraw/zinc/91/86/14/967918614.db2.gz ZOUGRRWCOBLGTI-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Oc1ccc(-c2nccc3[nH]cnc32)c(F)c1 ZINC001206022389 967981039 /nfs/dbraw/zinc/98/10/39/967981039.db2.gz ZIXPOYUUYZUBFS-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001250497372 967982185 /nfs/dbraw/zinc/98/21/85/967982185.db2.gz AWHCNDRPVJSMCE-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cc(-c2nc3cc4c(cc3[nH]2)OCC4)no1 ZINC001250520672 968023859 /nfs/dbraw/zinc/02/38/59/968023859.db2.gz YKWMHRQYZOGIER-UHFFFAOYSA-N 0 1 241.250 2.461 20 0 BEADMN Cc1cc2nc(-c3ncccn3)[nH]c2cc1F ZINC001250524276 968027650 /nfs/dbraw/zinc/02/76/50/968027650.db2.gz QKNIENMZFQSSMI-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COCC[C@H]1CCCCN1Cc1coc(C)n1 ZINC001206067489 968032685 /nfs/dbraw/zinc/03/26/85/968032685.db2.gz CXZKZKYEXFURQD-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CCOC(=O)c1nc2ccc(OCC)cc2[nH]1 ZINC001250550331 968058432 /nfs/dbraw/zinc/05/84/32/968058432.db2.gz UWHNLAQRLGSKLS-UHFFFAOYSA-N 0 1 234.255 2.138 20 0 BEADMN Cc1ccc2nc(C3(C)COC3)[nH]c2c1 ZINC001250559240 968071124 /nfs/dbraw/zinc/07/11/24/968071124.db2.gz ZSXMYHWSCVAIOU-UHFFFAOYSA-N 0 1 202.257 2.159 20 0 BEADMN CC1(c2nc3ccc4ncccc4c3[nH]2)COC1 ZINC001250559186 968071334 /nfs/dbraw/zinc/07/13/34/968071334.db2.gz XBQFFXFCYRHELA-UHFFFAOYSA-N 0 1 239.278 2.399 20 0 BEADMN Cc1cc2nc(C3(C)COC3)[nH]c2c(C)c1 ZINC001250559126 968072460 /nfs/dbraw/zinc/07/24/60/968072460.db2.gz TVIIAPSIJARKMO-UHFFFAOYSA-N 0 1 216.284 2.468 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380871059 968085045 /nfs/dbraw/zinc/08/50/45/968085045.db2.gz MGYMNVLOPCRLMT-USZNOCQGSA-N 0 1 227.348 2.464 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000381460911 968091615 /nfs/dbraw/zinc/09/16/15/968091615.db2.gz JQGLYTXYVSMLBS-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN Cc1[nH]nc(CN2CC3(CCC3)C2)c1C ZINC001206185760 968117365 /nfs/dbraw/zinc/11/73/65/968117365.db2.gz FISDRAXTVBVCMX-UHFFFAOYSA-N 0 1 205.305 2.012 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)cn2)CCC1(F)F ZINC001206198287 968126627 /nfs/dbraw/zinc/12/66/27/968126627.db2.gz BBNJGZAJVGICAK-SNVBAGLBSA-N 0 1 243.301 2.287 20 0 BEADMN COCCc1nc2cc(Cl)c(OC)cc2[nH]1 ZINC001250596278 968130309 /nfs/dbraw/zinc/13/03/09/968130309.db2.gz TUJOWRYOQZWPMK-UHFFFAOYSA-N 0 1 240.690 2.414 20 0 BEADMN COCc1nc2cc(Cl)c(OC)cc2[nH]1 ZINC001250602037 968144999 /nfs/dbraw/zinc/14/49/99/968144999.db2.gz DDQCGOXXXRZBSA-UHFFFAOYSA-N 0 1 226.663 2.371 20 0 BEADMN COc1cc2nc(-c3c[nH]nc3C)[nH]c2cc1F ZINC001250621770 968166515 /nfs/dbraw/zinc/16/65/15/968166515.db2.gz RPJIJRYNHHTYOU-UHFFFAOYSA-N 0 1 246.245 2.409 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cnccn3)nc21 ZINC001250629833 968175448 /nfs/dbraw/zinc/17/54/48/968175448.db2.gz OTNVHMMJIBLXHK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccc2nc(-c3cnc(N)nc3)[nH]c2c1C ZINC001250685475 968195713 /nfs/dbraw/zinc/19/57/13/968195713.db2.gz REPBFUZAOWABMP-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1c2[nH]c(-c3ccncn3)nc2ccc1F ZINC001250863390 968210927 /nfs/dbraw/zinc/21/09/27/968210927.db2.gz AWVASHADCUVGFS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1nccc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC001250896459 968215006 /nfs/dbraw/zinc/21/50/06/968215006.db2.gz YAFHGOPROJPYTJ-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Fc1ccc2nc(-c3cocn3)[nH]c2c1 ZINC001250932092 968217775 /nfs/dbraw/zinc/21/77/75/968217775.db2.gz AIYCSZIRIRRAOC-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN CCN(CCC(F)(F)F)Cc1cc(C)[nH]n1 ZINC001320494246 1169917295 /nfs/dbraw/zinc/91/72/95/1169917295.db2.gz OFNYBAMVINEMNL-UHFFFAOYSA-N 0 1 235.253 2.492 20 0 BEADMN Cn1ccc2c1nccc2NCC1(CO)CCC1 ZINC001164365828 968225845 /nfs/dbraw/zinc/22/58/45/968225845.db2.gz GIWFIRAZOCTGHQ-UHFFFAOYSA-N 0 1 245.326 2.148 20 0 BEADMN CC[C@H](NC[C@H](O)C(F)(F)F)c1ccccn1 ZINC001250991434 968236312 /nfs/dbraw/zinc/23/63/12/968236312.db2.gz JUZOAXYYNZXDOZ-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1(C)CCC1 ZINC000397060650 968240739 /nfs/dbraw/zinc/24/07/39/968240739.db2.gz WWQKWZIJDPNZAN-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1[C@H]1C=CCCC1 ZINC000397057314 968241228 /nfs/dbraw/zinc/24/12/28/968241228.db2.gz USKDRLNSJNFWTH-UTUOFQBUSA-N 0 1 223.316 2.280 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397120127 968249583 /nfs/dbraw/zinc/24/95/83/968249583.db2.gz SPQJFSANENZRFF-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000398737182 968276876 /nfs/dbraw/zinc/27/68/76/968276876.db2.gz XPUCZQPEAXFAFK-QWRGUYRKSA-N 0 1 245.388 2.171 20 0 BEADMN COc1ncc(C[N@H+]2CC[C@H](C)C[C@H]2C)cn1 ZINC001206410265 968285252 /nfs/dbraw/zinc/28/52/52/968285252.db2.gz NJXYPYYEIJWXQC-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CC[C@H](C)C[C@H]2C)cn1 ZINC001206410265 968285262 /nfs/dbraw/zinc/28/52/62/968285262.db2.gz NJXYPYYEIJWXQC-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CCC(C(C)C)CC2)cn1 ZINC001206418147 968291356 /nfs/dbraw/zinc/29/13/56/968291356.db2.gz HHOUVYMIIICEOD-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)c1nc(NC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC001251471906 968291665 /nfs/dbraw/zinc/29/16/65/968291665.db2.gz MULPTECRQRGCIW-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C[C@@H](C)C2CC2)n1 ZINC001251471906 968291670 /nfs/dbraw/zinc/29/16/70/968291670.db2.gz MULPTECRQRGCIW-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1ccc2nc(-c3nc[nH]n3)[nH]c2c1 ZINC001251632082 968295637 /nfs/dbraw/zinc/29/56/37/968295637.db2.gz ARCBMJHDOTUKCH-UHFFFAOYSA-N 0 1 227.271 2.471 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3c[nH]ccc3=O)nc21 ZINC001251666046 968303269 /nfs/dbraw/zinc/30/32/69/968303269.db2.gz ALYQGWRRONIHJW-UHFFFAOYSA-N 0 1 243.241 2.366 20 0 BEADMN Cc1nnc(CN[C@H]2CC23CCCC3)s1 ZINC000698331243 968331106 /nfs/dbraw/zinc/33/11/06/968331106.db2.gz RBRALJCUOVZXJH-VIFPVBQESA-N 0 1 223.345 2.269 20 0 BEADMN Cc1cccc2nc(-c3cccc(=O)n3C)[nH]c21 ZINC001251792127 968332705 /nfs/dbraw/zinc/33/27/05/968332705.db2.gz RHMCDRDVQQQZLE-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CC[C@@H](O)CNc1ccc2c(C)[nH]nc2c1 ZINC001251790990 968334129 /nfs/dbraw/zinc/33/41/29/968334129.db2.gz VCOSIMOGZKUCIX-SNVBAGLBSA-N 0 1 219.288 2.054 20 0 BEADMN CC[C@@H](O)CNCc1c(F)ccc(C)c1F ZINC001251799619 968335168 /nfs/dbraw/zinc/33/51/68/968335168.db2.gz KNSISEXHLPTINW-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN COC(=O)c1cc(CN[C@H]2C=CCC2)oc1C ZINC000698332200 968336535 /nfs/dbraw/zinc/33/65/35/968336535.db2.gz MPHRVRZVRGDNGD-JTQLQIEISA-N 0 1 235.283 2.183 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000698334879 968337042 /nfs/dbraw/zinc/33/70/42/968337042.db2.gz XEMAQVDYMAYEEH-GHMZBOCLSA-N 0 1 203.289 2.154 20 0 BEADMN C[C@H](O)CN[C@H](c1ncccc1Cl)C1CC1 ZINC001251975563 968417252 /nfs/dbraw/zinc/41/72/52/968417252.db2.gz WQYSBZMIVZELIP-KWQFWETISA-N 0 1 240.734 2.157 20 0 BEADMN CCCCN(C)Cc1ncccc1OC ZINC001206610817 968419143 /nfs/dbraw/zinc/41/91/43/968419143.db2.gz NCXPHTLUYLAEIY-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN CC(C)[C@@H]1COCCN1C[C@H](O)c1ccccc1 ZINC001251991223 968429556 /nfs/dbraw/zinc/42/95/56/968429556.db2.gz LBWXFQJEUKJNHS-GJZGRUSLSA-N 0 1 249.354 2.077 20 0 BEADMN O[C@@H](CNCc1ccncc1F)c1ccccc1 ZINC001252003464 968431988 /nfs/dbraw/zinc/43/19/88/968431988.db2.gz QBBCZNOBDDKWDX-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN Cc1csc(C(=O)NCc2n[nH]c(C)c2C)c1 ZINC000716105418 968467101 /nfs/dbraw/zinc/46/71/01/968467101.db2.gz PZBWQMXODCBKDV-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1ccnc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001206846447 968495710 /nfs/dbraw/zinc/49/57/10/968495710.db2.gz JXDCBZTZWWWKNF-HIFRSBDPSA-N 0 1 246.354 2.391 20 0 BEADMN CCCC[C@H](O)CNc1cc(OC)ccn1 ZINC001252078816 968496160 /nfs/dbraw/zinc/49/61/60/968496160.db2.gz AGVHABAJIUVSAE-JTQLQIEISA-N 0 1 224.304 2.053 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1ncccn1 ZINC001207015107 968548756 /nfs/dbraw/zinc/54/87/56/968548756.db2.gz DQWHKAZFBIDVRT-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1CCN(Cc2ncccn2)[C@@H](C)C1 ZINC001207015105 968551472 /nfs/dbraw/zinc/55/14/72/968551472.db2.gz DQWHKAZFBIDVRT-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN CCCC[C@H](O)CN1CCc2occc2C1 ZINC001252094026 968571838 /nfs/dbraw/zinc/57/18/38/968571838.db2.gz MAVQXMILOXNHBB-LBPRGKRZSA-N 0 1 223.316 2.189 20 0 BEADMN CCCC[C@H](O)CN(C)Cc1cncs1 ZINC001252098405 968582006 /nfs/dbraw/zinc/58/20/06/968582006.db2.gz VAVIADJRVOMVHB-JTQLQIEISA-N 0 1 228.361 2.126 20 0 BEADMN Cc1ncc(CN2CC[C@H](OC(C)C)C2)s1 ZINC001207061819 968592392 /nfs/dbraw/zinc/59/23/92/968592392.db2.gz NPVRFVPQFGXSLA-NSHDSACASA-N 0 1 240.372 2.451 20 0 BEADMN CC(C)=Cc1ccc(N2CCN(C)CC2)cn1 ZINC001240640345 968608725 /nfs/dbraw/zinc/60/87/25/968608725.db2.gz SUYQVLFWITYJRG-UHFFFAOYSA-N 0 1 231.343 2.257 20 0 BEADMN CC(C)CN(C)Cc1ncc(F)cc1F ZINC001207089801 968623050 /nfs/dbraw/zinc/62/30/50/968623050.db2.gz CIBURWIPXQARCS-UHFFFAOYSA-N 0 1 214.259 2.448 20 0 BEADMN CCc1nccc(CN2CC[C@H](OC(C)C)C2)n1 ZINC001207091721 968620803 /nfs/dbraw/zinc/62/08/03/968620803.db2.gz ICROWLQPSCTWSN-ZDUSSCGKSA-N 0 1 249.358 2.038 20 0 BEADMN Oc1ccc(F)cc1-c1cccc2[nH]nnc21 ZINC001240697045 968644959 /nfs/dbraw/zinc/64/49/59/968644959.db2.gz BFOSZKVIVJITSE-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCO[C@@H]1CCN(Cc2c(C)noc2C)C1 ZINC001207137143 968647645 /nfs/dbraw/zinc/64/76/45/968647645.db2.gz OKEMCRNURYCGRJ-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN Cc1noc(C)c1CN1CCC[C@@]2(CCO2)C1 ZINC001207139949 968652871 /nfs/dbraw/zinc/65/28/71/968652871.db2.gz RMCPPAFHLYUYLN-CYBMUJFWSA-N 0 1 236.315 2.046 20 0 BEADMN Cc1ncccc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001207147730 968656190 /nfs/dbraw/zinc/65/61/90/968656190.db2.gz ITTUGAFUDIGJHU-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN CCn1ccnc1CN(CC1CC1)C1CC1 ZINC001207146975 968657449 /nfs/dbraw/zinc/65/74/49/968657449.db2.gz UEXJSHQODPZACH-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@@]2(CCO2)C1 ZINC001207173792 968679441 /nfs/dbraw/zinc/67/94/41/968679441.db2.gz VOZXJQRNLVUDGC-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN C(CN1CC2(CCO2)C1)C1CCCCC1 ZINC001207260617 968703207 /nfs/dbraw/zinc/70/32/07/968703207.db2.gz BQWGUNXOOOVINP-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN COc1ccccc1CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001207460057 968781769 /nfs/dbraw/zinc/78/17/69/968781769.db2.gz GJTCSTVAZGVZRO-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1CCN1C[C@@H](C)OC[C@H]1C ZINC001207460057 968781776 /nfs/dbraw/zinc/78/17/76/968781776.db2.gz GJTCSTVAZGVZRO-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN Fc1ccc(CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001207511066 968810386 /nfs/dbraw/zinc/81/03/86/968810386.db2.gz HNYLQRVYQJOULB-LBPRGKRZSA-N 0 1 211.255 2.412 20 0 BEADMN Fc1ccc(CCN2CC[C@H](F)C2)cc1 ZINC001207511066 968810390 /nfs/dbraw/zinc/81/03/90/968810390.db2.gz HNYLQRVYQJOULB-LBPRGKRZSA-N 0 1 211.255 2.412 20 0 BEADMN Cc1cc(CN2CCOc3cc(F)ccc32)n[nH]1 ZINC001321803256 1169926530 /nfs/dbraw/zinc/92/65/30/1169926530.db2.gz DSUHNBYPYFRHJW-UHFFFAOYSA-N 0 1 247.273 2.256 20 0 BEADMN COc1ccc(CCCN2CCOC[C@H]2C)cc1 ZINC001207572293 968823651 /nfs/dbraw/zinc/82/36/51/968823651.db2.gz QHDMNZYLQOTEKB-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CCC[N@@H+](C)C2(C)COC2)c1 ZINC001207573149 968824139 /nfs/dbraw/zinc/82/41/39/968824139.db2.gz WUPZRMCHQSPDEZ-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN Clc1cnc(CNCC2CSC2)s1 ZINC000829324968 968827928 /nfs/dbraw/zinc/82/79/28/968827928.db2.gz NXMWZZURIASFSM-UHFFFAOYSA-N 0 1 234.777 2.249 20 0 BEADMN c1ccc(CCCCN2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001207617023 968836983 /nfs/dbraw/zinc/83/69/83/968836983.db2.gz QKSCHWNUUXBZAY-GASCZTMLSA-N 0 1 231.339 2.482 20 0 BEADMN CN(Cc1ccon1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207630586 968849526 /nfs/dbraw/zinc/84/95/26/968849526.db2.gz WRKDXEFFENPWMC-TUAOUCFPSA-N 0 1 218.300 2.319 20 0 BEADMN CCOC(=O)CN(CC)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631010 968849675 /nfs/dbraw/zinc/84/96/75/968849675.db2.gz CTJFWSRDWJXXMA-XQQFMLRXSA-N 0 1 237.343 2.084 20 0 BEADMN C(C1CCSCC1)[N@H+]1CCCCC12COC2 ZINC001207751576 968875857 /nfs/dbraw/zinc/87/58/57/968875857.db2.gz JCOTWYBCNPDWJM-UHFFFAOYSA-N 0 1 241.400 2.385 20 0 BEADMN COc1ccc2c(c1)CN(CC1(C)COC1)C2 ZINC001207797121 968885911 /nfs/dbraw/zinc/88/59/11/968885911.db2.gz KMZASCHFVKOIMO-UHFFFAOYSA-N 0 1 233.311 2.047 20 0 BEADMN CCN(CC1(c2ccccc2)CC1)C1COC1 ZINC001207838041 968895154 /nfs/dbraw/zinc/89/51/54/968895154.db2.gz CYLPLZLSESAVCJ-UHFFFAOYSA-N 0 1 231.339 2.439 20 0 BEADMN CO[C@H]1CN(C[C@H](C)c2ccccc2)C[C@@H]1F ZINC001207900213 968918417 /nfs/dbraw/zinc/91/84/17/968918417.db2.gz YEOPFZIHSBBQLE-UBHSHLNASA-N 0 1 237.318 2.459 20 0 BEADMN CO[C@@H]1CN(C[C@@H](C)c2ccccc2)C[C@@H]1F ZINC001207900212 968924464 /nfs/dbraw/zinc/92/44/64/968924464.db2.gz YEOPFZIHSBBQLE-KWCYVHTRSA-N 0 1 237.318 2.459 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)[C@H]2C)[nH]1 ZINC001252711946 968925904 /nfs/dbraw/zinc/92/59/04/968925904.db2.gz DWNCTRNUVUYHBA-VHSXEESVSA-N 0 1 235.331 2.404 20 0 BEADMN C[C@]1(F)CCN(C[C@H]2CCCCO2)C[C@H]1F ZINC001207954350 968949741 /nfs/dbraw/zinc/94/97/41/968949741.db2.gz NURBGSKONBMTIF-UTUOFQBUSA-N 0 1 233.302 2.328 20 0 BEADMN F[C@@H]1CSC2(CN(C[C@H]3CCCCO3)C2)C1 ZINC001207958424 968954591 /nfs/dbraw/zinc/95/45/91/968954591.db2.gz CKXBHDWDNHUUQB-WDEREUQCSA-N 0 1 245.363 2.085 20 0 BEADMN Cc1cnc2c(c1)CN(C[C@H]1CCCCO1)CC2 ZINC001207961764 968957763 /nfs/dbraw/zinc/95/77/63/968957763.db2.gz AWHSJRCHPHWBSK-CQSZACIVSA-N 0 1 246.354 2.317 20 0 BEADMN CCC[C@H](O)CNc1ccc2[nH]c(C)nc2c1 ZINC001252791097 968968654 /nfs/dbraw/zinc/96/86/54/968968654.db2.gz NXCJKDGFSFJEBO-NSHDSACASA-N 0 1 233.315 2.444 20 0 BEADMN CN1CC=C(c2ccnc(C(C)(C)C)n2)CC1 ZINC001241308231 968969754 /nfs/dbraw/zinc/96/97/54/968969754.db2.gz IPMJQUMKGMUBJF-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN NCc1ncc(-c2cc(Cl)ccc2F)cn1 ZINC001241332413 968979552 /nfs/dbraw/zinc/97/95/52/968979552.db2.gz RHTGGTLVUPADRB-UHFFFAOYSA-N 0 1 237.665 2.395 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)c(F)c1 ZINC001241352261 968987139 /nfs/dbraw/zinc/98/71/39/968987139.db2.gz PNQTZOHPZNEEDV-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCC[C@H](O)CNCc1noc2ccccc12 ZINC001252803315 968988493 /nfs/dbraw/zinc/98/84/93/968988493.db2.gz PSJLGYLRYJTCMG-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN OCc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001241559307 969044173 /nfs/dbraw/zinc/04/41/73/969044173.db2.gz LQTIFMKZPPUJFD-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Cc1ccc([C@@H](C)CCN(C)C2COC2)o1 ZINC001208153903 969079564 /nfs/dbraw/zinc/07/95/64/969079564.db2.gz DITJXWSRKZKQFV-JTQLQIEISA-N 0 1 223.316 2.412 20 0 BEADMN CC1=C[C@H](C)[C@H](CN2CCN(C#N)CC2)CC1 ZINC001208170120 969104786 /nfs/dbraw/zinc/10/47/86/969104786.db2.gz RXJDWJQKUOMFTK-KBPBESRZSA-N 0 1 233.359 2.077 20 0 BEADMN CC(=O)OC1CN(C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001208174455 969110338 /nfs/dbraw/zinc/11/03/38/969110338.db2.gz KMPYTURTEKEHDD-WCQYABFASA-N 0 1 237.343 2.226 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208183709 969117205 /nfs/dbraw/zinc/11/72/05/969117205.db2.gz YQNDESKDIWCPRK-NEPJUHHUSA-N 0 1 225.332 2.084 20 0 BEADMN COC(=O)CN(C)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208183712 969118693 /nfs/dbraw/zinc/11/86/93/969118693.db2.gz YQNDESKDIWCPRK-NWDGAFQWSA-N 0 1 225.332 2.084 20 0 BEADMN CCS(=O)(=O)Nc1scnc1C(C)C ZINC001253289798 969129145 /nfs/dbraw/zinc/12/91/45/969129145.db2.gz DVPBRFRATPPCNT-UHFFFAOYSA-N 0 1 234.346 2.028 20 0 BEADMN c1cn2ccc(-c3ccc4[nH]nnc4c3)cc2n1 ZINC001241941192 969150127 /nfs/dbraw/zinc/15/01/27/969150127.db2.gz FHJHPTZXSOVCKH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cn2ccc(-c3ccc4nn[nH]c4c3)cc2n1 ZINC001241941192 969150131 /nfs/dbraw/zinc/15/01/31/969150131.db2.gz FHJHPTZXSOVCKH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1nonc1CNc1ccc(C)c(C)n1 ZINC001156085679 969183069 /nfs/dbraw/zinc/18/30/69/969183069.db2.gz PPLCUQGLLVURPD-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN Cc1nonc1CNc1ccc2c(n1)CCCC2 ZINC001156085425 969183555 /nfs/dbraw/zinc/18/35/55/969183555.db2.gz KYNOQSKQFUBFBY-UHFFFAOYSA-N 0 1 244.298 2.264 20 0 BEADMN c1n[nH]cc1CNc1ccc2c(n1)CCCC2 ZINC000712337115 969192493 /nfs/dbraw/zinc/19/24/93/969192493.db2.gz YUJBERMCVJWMHD-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CN1CCc2c(F)cc(-c3ccnnc3)cc2C1 ZINC001242068547 969195857 /nfs/dbraw/zinc/19/58/57/969195857.db2.gz RISHOQGNVYHAMG-UHFFFAOYSA-N 0 1 243.285 2.271 20 0 BEADMN CCCCC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC001253520181 969197484 /nfs/dbraw/zinc/19/74/84/969197484.db2.gz UMPOQENSZAMAHM-AVGNSLFASA-N 0 1 229.364 2.037 20 0 BEADMN CCCCC[C@H](O)CNCc1nccs1 ZINC001253519420 969197970 /nfs/dbraw/zinc/19/79/70/969197970.db2.gz POPBTOQBNMMMRM-JTQLQIEISA-N 0 1 228.361 2.174 20 0 BEADMN CCCCC[C@@H](O)CN1CCOCC12CCC2 ZINC001253534617 969207986 /nfs/dbraw/zinc/20/79/86/969207986.db2.gz BWMQGOGEFREJLJ-CYBMUJFWSA-N 0 1 241.375 2.183 20 0 BEADMN c1nc2c(c(-c3cncc(C4CC4)c3)n1)CNC2 ZINC001242194527 969219726 /nfs/dbraw/zinc/21/97/26/969219726.db2.gz YIZJAZQSKVUVNW-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN CCN(CCCC(C)C)[C@@H](C)C(=O)OC ZINC001208737088 969228160 /nfs/dbraw/zinc/22/81/60/969228160.db2.gz GPKZTIQPPQPQHX-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN C[C@@H]1CN(CCCc2ccc(F)cc2)CCO1 ZINC001208766786 969233860 /nfs/dbraw/zinc/23/38/60/969233860.db2.gz HNCYLAHWOQKYPL-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN c1cnc([C@H]2CCCN2C[C@@H]2CCC=CO2)cn1 ZINC001208881613 969269212 /nfs/dbraw/zinc/26/92/12/969269212.db2.gz YMVKDBBBOBUKGN-GXTWGEPZSA-N 0 1 245.326 2.306 20 0 BEADMN C[C@H]1C(=O)N(C)CCN1CC1(C)CCCCC1 ZINC001208903387 969290629 /nfs/dbraw/zinc/29/06/29/969290629.db2.gz QEOLTYBIXUNBCW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(OC2CC2)cc1 ZINC001169028878 969347618 /nfs/dbraw/zinc/34/76/18/969347618.db2.gz JNHICTADDCQWRQ-UHFFFAOYSA-N 0 1 243.310 2.181 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(N(C)C)c(C)c1 ZINC001169031185 969354635 /nfs/dbraw/zinc/35/46/35/969354635.db2.gz ZECSGLSKYBMPER-UHFFFAOYSA-N 0 1 244.342 2.014 20 0 BEADMN Cn1cnc2cccc(NC[C@@H](O)C(C)(C)C)c21 ZINC001253735103 969355673 /nfs/dbraw/zinc/35/56/73/969355673.db2.gz KNYOYPYBRMBWJW-GFCCVEGCSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1cccc2nc(NC[C@H](O)C(C)C)[nH]c21 ZINC001253752874 969368057 /nfs/dbraw/zinc/36/80/57/969368057.db2.gz XNWKTSPMSQIDBF-NSHDSACASA-N 0 1 233.315 2.300 20 0 BEADMN CCOc1cc(NC[C@@H](O)C(C)C)cc(C)n1 ZINC001253755053 969376020 /nfs/dbraw/zinc/37/60/20/969376020.db2.gz XGWVLZAQBRRGMW-GFCCVEGCSA-N 0 1 238.331 2.218 20 0 BEADMN CC(C)[C@@H](O)CNc1cccc2ncn(C)c21 ZINC001253774528 969393477 /nfs/dbraw/zinc/39/34/77/969393477.db2.gz RIHOWXBVRFLHLU-LBPRGKRZSA-N 0 1 233.315 2.002 20 0 BEADMN FC(F)C1CN(CCc2cccs2)C1 ZINC001209228490 969412784 /nfs/dbraw/zinc/41/27/84/969412784.db2.gz IRULCXJJGQHPEC-UHFFFAOYSA-N 0 1 217.284 2.488 20 0 BEADMN F[C@H]1CN(CCOc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001209297016 969428470 /nfs/dbraw/zinc/42/84/70/969428470.db2.gz PGHIEIWJAMTTJA-UBHSHLNASA-N 0 1 235.302 2.355 20 0 BEADMN CCCc1nnc(-c2cccc3cncn32)o1 ZINC001253956731 969429612 /nfs/dbraw/zinc/42/96/12/969429612.db2.gz FDNUMPSLQDHHDZ-UHFFFAOYSA-N 0 1 228.255 2.337 20 0 BEADMN CC(C)[C@@H]1COCCN1CCOc1ccccc1 ZINC001209298621 969431104 /nfs/dbraw/zinc/43/11/04/969431104.db2.gz FRKHQCAATDVRHY-HNNXBMFYSA-N 0 1 249.354 2.422 20 0 BEADMN C[C@H]1CC(=O)CCN1CC1Cc2ccccc2C1 ZINC001209320788 969441392 /nfs/dbraw/zinc/44/13/92/969441392.db2.gz UILGREFNXMPJKF-LBPRGKRZSA-N 0 1 243.350 2.455 20 0 BEADMN C[C@@H]1CC(=O)CCN1CC1Cc2ccccc2C1 ZINC001209320787 969443999 /nfs/dbraw/zinc/44/39/99/969443999.db2.gz UILGREFNXMPJKF-GFCCVEGCSA-N 0 1 243.350 2.455 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)[nH]n1 ZINC001254004147 969444816 /nfs/dbraw/zinc/44/48/16/969444816.db2.gz HCDXRBKDFACKEA-AOOOYVTPSA-N 0 1 225.361 2.044 20 0 BEADMN C[C@H]1C[C@@H]1CN1CCc2cnc(C3CC3)nc2C1 ZINC001209427137 969495832 /nfs/dbraw/zinc/49/58/32/969495832.db2.gz OREIIXQURQZFNJ-GXFFZTMASA-N 0 1 243.354 2.368 20 0 BEADMN CC(C)N1CCN(Cc2cncs2)C[C@@H]1C ZINC001209551103 969538685 /nfs/dbraw/zinc/53/86/85/969538685.db2.gz CPBLBSWDNFKYSA-NSHDSACASA-N 0 1 239.388 2.058 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CCOC[C@@H]1C ZINC001209586616 969564525 /nfs/dbraw/zinc/56/45/25/969564525.db2.gz GGSDAJGPCSMFCZ-JTQLQIEISA-N 0 1 245.326 2.092 20 0 BEADMN Cc1nc2ccccn2c1CN1CC[C@H]1C ZINC001209647818 969572408 /nfs/dbraw/zinc/57/24/08/969572408.db2.gz QXOQOOHJZHJAFY-SNVBAGLBSA-N 0 1 215.300 2.237 20 0 BEADMN CC(C)(N[C@H]1CCCOC1)C(=O)c1ccccc1 ZINC001254362197 969575685 /nfs/dbraw/zinc/57/56/85/969575685.db2.gz GOGVBAKZKVTTTB-ZDUSSCGKSA-N 0 1 247.338 2.417 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@@H]1C[C@H]1CC)C1CC1 ZINC001169340753 969605183 /nfs/dbraw/zinc/60/51/83/969605183.db2.gz AAITUPIAGBZZQV-TUAOUCFPSA-N 0 1 239.359 2.449 20 0 BEADMN c1cc2n(n1)CCN(C1CCC3(CC3)CC1)C2 ZINC001254449687 969644493 /nfs/dbraw/zinc/64/44/93/969644493.db2.gz SGDQQYZJCPJLSV-UHFFFAOYSA-N 0 1 231.343 2.422 20 0 BEADMN c1ccc2c(c1)CCC(N1CCO[C@H]3C[C@H]31)CC2 ZINC001254463447 969648464 /nfs/dbraw/zinc/64/84/64/969648464.db2.gz QVMJMKGNQCPPNA-CVEARBPZSA-N 0 1 243.350 2.407 20 0 BEADMN COc1ccc(C)c(-n2cnc(C)c2N)c1 ZINC001209839069 969649105 /nfs/dbraw/zinc/64/91/05/969649105.db2.gz IVYYEDJGGRGSBP-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN Cc1c(Nc2ccc3nc[nH]c3c2)cnn1C ZINC001209841202 969650510 /nfs/dbraw/zinc/65/05/10/969650510.db2.gz GEZCAVVBLHBWKX-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nccc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841578 969651766 /nfs/dbraw/zinc/65/17/66/969651766.db2.gz WFWLZRRHWRNZQD-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN c1nc2ccc(Nc3cncnc3)cc2[nH]1 ZINC001209841540 969652131 /nfs/dbraw/zinc/65/21/31/969652131.db2.gz UNZAQXUAOXYDDA-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Nc1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209843720 969652704 /nfs/dbraw/zinc/65/27/04/969652704.db2.gz FZLDNYSWVONNBL-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN Cc1ccnc(NC[C@@H](O)C(F)(F)F)c1C ZINC001169457156 969658762 /nfs/dbraw/zinc/65/87/62/969658762.db2.gz NFZNHSLAUPYMKM-MRVPVSSYSA-N 0 1 234.221 2.034 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2[nH]cnc2c1 ZINC001209849305 969663767 /nfs/dbraw/zinc/66/37/67/969663767.db2.gz WQNLTPZOQDVJTQ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc[nH]c1=S ZINC001209964864 969724412 /nfs/dbraw/zinc/72/44/12/969724412.db2.gz GMUBYYWGYPTIIY-UHFFFAOYSA-N 0 1 232.312 2.400 20 0 BEADMN Cc1cc(N)ncc1Nc1nnc(C(C)C)o1 ZINC001209962595 969724510 /nfs/dbraw/zinc/72/45/10/969724510.db2.gz XKZQWNCREMOTHM-UHFFFAOYSA-N 0 1 233.275 2.222 20 0 BEADMN Cc1cc(N)ncc1-n1ccc2cc(N)ccc21 ZINC001209966034 969727985 /nfs/dbraw/zinc/72/79/85/969727985.db2.gz PDUJOBQIPNMAGI-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001331923702 969732232 /nfs/dbraw/zinc/73/22/32/969732232.db2.gz BWWMWXACUYHHAI-GFCCVEGCSA-N 0 1 245.278 2.339 20 0 BEADMN Cc1cnc(Nc2cnc(N)cc2C)c(C)n1 ZINC001209965377 969732881 /nfs/dbraw/zinc/73/28/81/969732881.db2.gz TYYSRWQDSITHIY-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(N)ccc1O ZINC001209969538 969734281 /nfs/dbraw/zinc/73/42/81/969734281.db2.gz KWTZMYVTEYYBMM-UHFFFAOYSA-N 0 1 230.271 2.004 20 0 BEADMN Cc1cc(N)ncc1Nc1nccnc1C1CC1 ZINC001209967785 969734370 /nfs/dbraw/zinc/73/43/70/969734370.db2.gz NKLJUERUGRXXNG-UHFFFAOYSA-N 0 1 241.298 2.383 20 0 BEADMN Cc1cc(N)ncc1Nc1cnn2ccccc12 ZINC001209967786 969735616 /nfs/dbraw/zinc/73/56/16/969735616.db2.gz RKBNNALGTDBPDX-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1cc(N)ncc1Nc1cnc(Cl)nc1C ZINC001209968055 969736675 /nfs/dbraw/zinc/73/66/75/969736675.db2.gz RBCADYVYMZSBDD-UHFFFAOYSA-N 0 1 249.705 2.468 20 0 BEADMN COc1cccc(O)c1Nc1cnc(N)cc1C ZINC001209969415 969737259 /nfs/dbraw/zinc/73/72/59/969737259.db2.gz NDBMROQFMAYFJG-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1cc(N)ncc1N1CCc2cccc(N)c21 ZINC001209971804 969740795 /nfs/dbraw/zinc/74/07/95/969740795.db2.gz AOXIVQZZJQROMR-UHFFFAOYSA-N 0 1 240.310 2.249 20 0 BEADMN Cc1cc(N)ncc1-n1ccc2c1cccc2N ZINC001209970034 969742643 /nfs/dbraw/zinc/74/26/43/969742643.db2.gz RAKRRILJAOWWKB-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN Nc1cncn1-c1ccc(O)c(C(F)(F)F)c1 ZINC001209984214 969747148 /nfs/dbraw/zinc/74/71/48/969747148.db2.gz GZJHHISDUBYVMY-UHFFFAOYSA-N 0 1 243.188 2.179 20 0 BEADMN CC(C)Oc1ccccc1Nc1nonc1N ZINC001210021192 969762154 /nfs/dbraw/zinc/76/21/54/969762154.db2.gz VCVAKOGWFLOYGI-UHFFFAOYSA-N 0 1 234.259 2.183 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cnccn1 ZINC001210100471 969797208 /nfs/dbraw/zinc/79/72/08/969797208.db2.gz VAXNBRJFXXAULD-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1c(F)cc(Nc2nnco2)cc1F ZINC001210107048 969802647 /nfs/dbraw/zinc/80/26/47/969802647.db2.gz ZLSPJWPQYHEBIM-UHFFFAOYSA-N 0 1 211.171 2.400 20 0 BEADMN CCc1coc(CNC2C[C@H]3CC(=O)C[C@@H]3C2)n1 ZINC001254916531 969819350 /nfs/dbraw/zinc/81/93/50/969819350.db2.gz ZSEGFYGGQBDEIM-UWVGGRQHSA-N 0 1 248.326 2.084 20 0 BEADMN Cn1ccnc1Nc1cccc(F)c1O ZINC001210196870 969829610 /nfs/dbraw/zinc/82/96/10/969829610.db2.gz ZRZMVPNCOWRSSL-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Nc1cncn1-c1cccc2ccncc21 ZINC001210224485 969836936 /nfs/dbraw/zinc/83/69/36/969836936.db2.gz OZSAITKDNOSMLN-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN CO[C@@H](C)CNc1cn2ccnc2cc1C ZINC001169775360 969838691 /nfs/dbraw/zinc/83/86/91/969838691.db2.gz GQBRSMUCXQKMPU-JTQLQIEISA-N 0 1 219.288 2.090 20 0 BEADMN c1ccc2c(c1)CC(N1CC3(C1)CCCCO3)C2 ZINC001255021529 969851326 /nfs/dbraw/zinc/85/13/26/969851326.db2.gz QNJWHFDSKHLJJP-UHFFFAOYSA-N 0 1 243.350 2.409 20 0 BEADMN CC1(C)CN(C2Cc3ccccc3C2)CCC1=O ZINC001255027182 969853002 /nfs/dbraw/zinc/85/30/02/969853002.db2.gz KYAYNKDNSSZSLM-UHFFFAOYSA-N 0 1 243.350 2.455 20 0 BEADMN Cc1ncc(Nc2ccc3nccn3c2)cc1N ZINC001210286648 969853534 /nfs/dbraw/zinc/85/35/34/969853534.db2.gz BVSNWSVSBRHPBD-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN c1nc2ccc(NCCc3cncs3)nc2[nH]1 ZINC001169861303 969875853 /nfs/dbraw/zinc/87/58/53/969875853.db2.gz QOAYEJIRPHWGRM-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN COc1c(F)cccc1Nc1nccn1C ZINC001210399507 969883686 /nfs/dbraw/zinc/88/36/86/969883686.db2.gz QMJOKLMEKMPNMX-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)s1 ZINC001204030223 969887722 /nfs/dbraw/zinc/88/77/22/969887722.db2.gz ZYGWILUBLPFVQL-MNOVXSKESA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(CN2C[C@H](CO)C[C@H](F)C2)s1 ZINC001204030223 969887726 /nfs/dbraw/zinc/88/77/26/969887726.db2.gz ZYGWILUBLPFVQL-MNOVXSKESA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@H](F)C[C@H](CO)C2)s1 ZINC001204030225 969888436 /nfs/dbraw/zinc/88/84/36/969888436.db2.gz ZYGWILUBLPFVQL-WDEREUQCSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@H](CO)C2)s1 ZINC001204030225 969888442 /nfs/dbraw/zinc/88/84/42/969888442.db2.gz ZYGWILUBLPFVQL-WDEREUQCSA-N 0 1 243.347 2.209 20 0 BEADMN CCc1ncccc1Nc1cncn1C ZINC001210466198 969895894 /nfs/dbraw/zinc/89/58/94/969895894.db2.gz WDCXWCXWJADGBL-UHFFFAOYSA-N 0 1 202.261 2.121 20 0 BEADMN Cc1ccnnc1-c1cccc(F)c1O ZINC001242348431 969899523 /nfs/dbraw/zinc/89/95/23/969899523.db2.gz TUAGISNCFUESNG-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN CCc1nnc(-c2ccc(O)c(F)c2F)o1 ZINC001255144572 969950686 /nfs/dbraw/zinc/95/06/86/969950686.db2.gz HOHCWFHDYNWNAC-UHFFFAOYSA-N 0 1 226.182 2.283 20 0 BEADMN CCc1nnc(-c2cc(O)c(F)c(F)c2)o1 ZINC001255144696 969951426 /nfs/dbraw/zinc/95/14/26/969951426.db2.gz JSXGMBQKXNHOAR-UHFFFAOYSA-N 0 1 226.182 2.283 20 0 BEADMN CCc1nnc(-c2ccc(F)c(O)c2F)o1 ZINC001255145342 969952692 /nfs/dbraw/zinc/95/26/92/969952692.db2.gz YYSCNMUQGSQAQF-UHFFFAOYSA-N 0 1 226.182 2.283 20 0 BEADMN Cc1cc2[nH]cnc2cc1-c1ccn(C)n1 ZINC001242459660 969955280 /nfs/dbraw/zinc/95/52/80/969955280.db2.gz ZCFJTLYOFKZBGR-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN C/C=C(\C)c1ccccc1C(=O)N1CCNCC1 ZINC001242760036 970059611 /nfs/dbraw/zinc/05/96/11/970059611.db2.gz IWEIRFXMUWLRAV-KGVSQERTSA-N 0 1 244.338 2.155 20 0 BEADMN c1cnc([C@@H]2CCCN2[C@@H]2CCSC2)nc1 ZINC001255296600 970060059 /nfs/dbraw/zinc/06/00/59/970060059.db2.gz USUOJMRWMXKMHL-MNOVXSKESA-N 0 1 235.356 2.119 20 0 BEADMN Cc1cc(Cl)cc(NC[C@@H]2COCCN2)c1 ZINC001170044399 970068213 /nfs/dbraw/zinc/06/82/13/970068213.db2.gz KIBGJIMTXHYCDA-GFCCVEGCSA-N 0 1 240.734 2.049 20 0 BEADMN C=C(Nc1cnc[nH]c1=O)c1ccccc1 ZINC001210982592 970092090 /nfs/dbraw/zinc/09/20/90/970092090.db2.gz CNIAAYVEDUKKQU-UHFFFAOYSA-N 0 1 213.240 2.265 20 0 BEADMN CCCn1nccc1-c1cncc2nc[nH]c21 ZINC001242845186 970095983 /nfs/dbraw/zinc/09/59/83/970095983.db2.gz QIVCIRITLISIKV-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN O=C([O-])c1ccccc1-c1cc[nH+]c2c1CCN2 ZINC001242882420 970123396 /nfs/dbraw/zinc/12/33/96/970123396.db2.gz ZVKAPIWGGJFYKB-UHFFFAOYSA-N 0 1 240.262 2.415 20 0 BEADMN Cc1c(F)ccc(CN[C@@H]2CC[N@@H+](C)C2)c1F ZINC001255423664 970148440 /nfs/dbraw/zinc/14/84/40/970148440.db2.gz MBXWNSVZKWMXDT-LLVKDONJSA-N 0 1 240.297 2.067 20 0 BEADMN Cn1cncc1Nc1cnccc1Cl ZINC001211209957 970173876 /nfs/dbraw/zinc/17/38/76/970173876.db2.gz ORSBORCPNCMOIH-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN CC(C)CCC[C@H](C)N1CC(=O)N[C@H](C)C1 ZINC001170078537 970181647 /nfs/dbraw/zinc/18/16/47/970181647.db2.gz UEMWAODVEGHJNN-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN COC1CCC(N2CCn3cccc3C2)CC1 ZINC001255458945 970188024 /nfs/dbraw/zinc/18/80/24/970188024.db2.gz XLZHXSQSJKTUIR-UHFFFAOYSA-N 0 1 234.343 2.261 20 0 BEADMN Cc1ccc(Nc2cncn2C)c(F)n1 ZINC001211245682 970189926 /nfs/dbraw/zinc/18/99/26/970189926.db2.gz QOFLZFHIOUWMPL-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cn1cncc1Nc1ncc(Cl)nc1Cl ZINC001211245362 970190839 /nfs/dbraw/zinc/19/08/39/970190839.db2.gz MFDPAYQXSNHBRH-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN Cn1cncc1Nc1cccc2nsnc21 ZINC001211247749 970192589 /nfs/dbraw/zinc/19/25/89/970192589.db2.gz BCSSAQKNPWWPPF-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN Cn1cncc1Nc1ccc(C2(C)COC2)cc1 ZINC001211253305 970200588 /nfs/dbraw/zinc/20/05/88/970200588.db2.gz DZDVDQCOHXRGGS-UHFFFAOYSA-N 0 1 243.310 2.452 20 0 BEADMN COc1cnccc1Nc1ccccc1[C@@H](C)O ZINC001211264589 970210270 /nfs/dbraw/zinc/21/02/70/970210270.db2.gz FBJGAQKRPJEEHV-SNVBAGLBSA-N 0 1 244.294 2.309 20 0 BEADMN COc1cnccc1Nc1cn(C(C)C)cn1 ZINC001211262255 970211248 /nfs/dbraw/zinc/21/12/48/970211248.db2.gz DVOAWAJRXSNINS-UHFFFAOYSA-N 0 1 232.287 2.033 20 0 BEADMN COc1cccc(Nc2ccncc2OC)c1F ZINC001211263465 970213722 /nfs/dbraw/zinc/21/37/22/970213722.db2.gz SNLVQMSVFDZMDC-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN COc1cnccc1Nc1cccc([C@H](C)O)c1 ZINC001211262653 970214058 /nfs/dbraw/zinc/21/40/58/970214058.db2.gz KNKYMDPOIKOKBB-JTQLQIEISA-N 0 1 244.294 2.309 20 0 BEADMN C[C@H]1CC[C@@H](NCc2nccnc2Cl)C1 ZINC001170090866 970233074 /nfs/dbraw/zinc/23/30/74/970233074.db2.gz AKZJVTONRFVUCY-DTWKUNHWSA-N 0 1 225.723 2.408 20 0 BEADMN CCCCOC1CN([C@H]2CCOC(C)(C)C2)C1 ZINC001255549951 970323679 /nfs/dbraw/zinc/32/36/79/970323679.db2.gz QBACFPVLPUVVRC-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1CC[C@H](NC2(c3ncccn3)CC2)C1 ZINC001170115670 970334607 /nfs/dbraw/zinc/33/46/07/970334607.db2.gz AHSFHLQXFRBBSF-QWRGUYRKSA-N 0 1 217.316 2.244 20 0 BEADMN COC[C@@H](C)n1c(-c2ccccc2)cnc1CN ZINC001255566898 970358555 /nfs/dbraw/zinc/35/85/55/970358555.db2.gz PIISJZHKNBZXSG-LLVKDONJSA-N 0 1 245.326 2.216 20 0 BEADMN COC[C@H](C)N1CCCC(F)(F)[C@@H](F)C1 ZINC001255568655 970365329 /nfs/dbraw/zinc/36/53/29/970365329.db2.gz AMQQGAOZLAKYNY-IUCAKERBSA-N 0 1 225.254 2.091 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2nnc3ccccn32)C1 ZINC001170128827 970381321 /nfs/dbraw/zinc/38/13/21/970381321.db2.gz AGAMRQHRHOSJOM-RYUDHWBXSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2nnc3ccccn32)C1 ZINC001170128830 970383031 /nfs/dbraw/zinc/38/30/31/970383031.db2.gz AGAMRQHRHOSJOM-VXGBXAGGSA-N 0 1 244.342 2.350 20 0 BEADMN Nc1cncn1-c1ccc(N2CCCC2)cc1F ZINC001213847899 970386502 /nfs/dbraw/zinc/38/65/02/970386502.db2.gz RIHFTGNKSZMHAQ-UHFFFAOYSA-N 0 1 246.289 2.194 20 0 BEADMN Cc1c[nH]c2nc(NC3CN(C(C)C)C3)ccc12 ZINC001157525599 970408391 /nfs/dbraw/zinc/40/83/91/970408391.db2.gz FYGNURJFDOWBPY-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN C[C@H](CC(F)(F)F)NC1(c2cnn(C)c2)CC1 ZINC001255634916 970408981 /nfs/dbraw/zinc/40/89/81/970408981.db2.gz LWMIIZOHRNULMF-MRVPVSSYSA-N 0 1 247.264 2.340 20 0 BEADMN CCCONC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001328356476 1169946286 /nfs/dbraw/zinc/94/62/86/1169946286.db2.gz UQQGGOIRMHAYAT-LBPRGKRZSA-N 0 1 237.274 2.313 20 0 BEADMN Cc1nnc(CN)n1[C@H](C)Cc1ccc(C)cc1 ZINC001255783817 970488950 /nfs/dbraw/zinc/48/89/50/970488950.db2.gz IXAWYTPWUHBKEI-LLVKDONJSA-N 0 1 244.342 2.157 20 0 BEADMN Cc1ncn(C)c1Nc1cc(O)ccc1C ZINC001214343365 970491470 /nfs/dbraw/zinc/49/14/70/970491470.db2.gz NLLBPPYQHIMQGC-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN COCOc1ccc(C)c(Nc2nnco2)c1 ZINC001214356943 970495803 /nfs/dbraw/zinc/49/58/03/970495803.db2.gz MQOZAIOKALIBPV-UHFFFAOYSA-N 0 1 235.243 2.104 20 0 BEADMN C[C@H](Cc1ccccc1F)n1ccnc1CN ZINC001255829721 970500268 /nfs/dbraw/zinc/50/02/68/970500268.db2.gz MGRMDFUJTYGPGK-SNVBAGLBSA-N 0 1 233.290 2.285 20 0 BEADMN C[C@@H](Cc1ccccc1F)N(C)C1COC1 ZINC001255851944 970515210 /nfs/dbraw/zinc/51/52/10/970515210.db2.gz ZNICCRGXFARESU-JTQLQIEISA-N 0 1 223.291 2.087 20 0 BEADMN Cc1noc([C@H](NCCCF)C(C)C)n1 ZINC000179863386 970519084 /nfs/dbraw/zinc/51/90/84/970519084.db2.gz FHZSJALEZXRZTG-SECBINFHSA-N 0 1 215.272 2.024 20 0 BEADMN Cn1nncc1Nc1ccc(Cl)c(O)c1F ZINC001214796326 970538490 /nfs/dbraw/zinc/53/84/90/970538490.db2.gz OQWKVZBEMXVDFB-UHFFFAOYSA-N 0 1 242.641 2.057 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400070574 970548757 /nfs/dbraw/zinc/54/87/57/970548757.db2.gz GXEFLCYKKGPHBJ-SNVBAGLBSA-N 0 1 235.283 2.210 20 0 BEADMN CN(Cc1ccnc(Cl)c1)[C@H]1CCCOC1 ZINC000401496927 970696366 /nfs/dbraw/zinc/69/63/66/970696366.db2.gz VWBRTFUORLKTNF-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CC(C)CC[C@H](C)Nc1nccnc1CN ZINC001256358855 970757844 /nfs/dbraw/zinc/75/78/44/970757844.db2.gz XZLINFLKGHMPRS-JTQLQIEISA-N 0 1 222.336 2.172 20 0 BEADMN CC(C)CC[C@@H](C)Nc1nccnc1CN ZINC001256358861 970759411 /nfs/dbraw/zinc/75/94/11/970759411.db2.gz XZLINFLKGHMPRS-SNVBAGLBSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1nnc(S[C@H]2CCOC(C)(C)C2)[nH]1 ZINC001327353010 972559696 /nfs/dbraw/zinc/55/96/96/972559696.db2.gz IWRXKODGTIRKHW-QMMMGPOBSA-N 0 1 227.333 2.163 20 0 BEADMN Cc1c(O)cccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001144109802 972580998 /nfs/dbraw/zinc/58/09/98/972580998.db2.gz FPUINBXSLJIIKX-DOMZBBRYSA-N 0 1 247.338 2.311 20 0 BEADMN COc1ccc(O)cc1-c1nccc2c1CCN2 ZINC001222611623 972604669 /nfs/dbraw/zinc/60/46/69/972604669.db2.gz PMPKNYFPFXMXDW-UHFFFAOYSA-N 0 1 242.278 2.431 20 0 BEADMN COc1ccc(O)cc1-c1cc(N)c(C)cn1 ZINC001222615895 972605802 /nfs/dbraw/zinc/60/58/02/972605802.db2.gz DGJLOIASQZAPNZ-UHFFFAOYSA-N 0 1 230.267 2.353 20 0 BEADMN c1nnc(C[N@@H+]2CCCC23CCCCC3)[n-]1 ZINC001327521127 972612897 /nfs/dbraw/zinc/61/28/97/972612897.db2.gz XWLSGGRNUXXRDB-UHFFFAOYSA-N 0 1 220.320 2.103 20 0 BEADMN CC[C@@](C)(NCc1nnc[nH]1)c1ccccc1 ZINC001327555046 972632817 /nfs/dbraw/zinc/63/28/17/972632817.db2.gz QJKFVLPUQQQKKA-CYBMUJFWSA-N 0 1 230.315 2.220 20 0 BEADMN CCOc1cc(C)ccc1NCc1nnc[nH]1 ZINC001327641777 972684575 /nfs/dbraw/zinc/68/45/75/972684575.db2.gz SUVFPRHSZHRMKX-UHFFFAOYSA-N 0 1 232.287 2.124 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CCC[C@@H]1C ZINC001144328684 972767192 /nfs/dbraw/zinc/76/71/92/972767192.db2.gz CTDTYJSOQSMJIY-JTQLQIEISA-N 0 1 236.315 2.176 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN(CC)C1CC1 ZINC001144329638 972769583 /nfs/dbraw/zinc/76/95/83/972769583.db2.gz ZNDZEPNNFNIZGQ-UHFFFAOYSA-N 0 1 236.315 2.176 20 0 BEADMN C[C@@H]1c2cnccc2C[C@@H]1OCc1cnc[nH]1 ZINC001223007100 972800036 /nfs/dbraw/zinc/80/00/36/972800036.db2.gz GGMXNJJDUVCNJL-RNCFNFMXSA-N 0 1 229.283 2.050 20 0 BEADMN Cc1cc(CN2CCC[C@H](CCF)C2)[nH]n1 ZINC001327908952 972801938 /nfs/dbraw/zinc/80/19/38/972801938.db2.gz VSQMSRCUDOZDMB-LLVKDONJSA-N 0 1 225.311 2.290 20 0 BEADMN CCC[C@H](OCc1nn[nH]n1)c1ccccc1 ZINC001223027123 972804027 /nfs/dbraw/zinc/80/40/27/972804027.db2.gz LZRGSDSLFQYJMA-NSHDSACASA-N 0 1 232.287 2.258 20 0 BEADMN Cc1c(CNCc2cccn2C2CC2)cnn1C ZINC001327947186 972820880 /nfs/dbraw/zinc/82/08/80/972820880.db2.gz WZMZQBZZHZMMOT-UHFFFAOYSA-N 0 1 244.342 2.155 20 0 BEADMN Cc1cc(C)c(NCc2nnc[nH]2)c(C)c1 ZINC001327951910 972825485 /nfs/dbraw/zinc/82/54/85/972825485.db2.gz NJGPEMSYVDDEKP-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN COc1ncc(CN2CCC(C)CC2)cc1F ZINC001144451031 972825727 /nfs/dbraw/zinc/82/57/27/972825727.db2.gz MVRZJFNGXOQWMT-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@H]1SCC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000395821398 972834279 /nfs/dbraw/zinc/83/42/79/972834279.db2.gz SENBGMJHCYVLDN-VHSXEESVSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(OC)c(F)c2)C1 ZINC001144473454 972841356 /nfs/dbraw/zinc/84/13/56/972841356.db2.gz WSLGETMQLPJVGI-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CO[C@H](CSCc1nnc[nH]1)C1CCCC1 ZINC001328055442 972864407 /nfs/dbraw/zinc/86/44/07/972864407.db2.gz FCVKAHNCAWGWDE-SNVBAGLBSA-N 0 1 241.360 2.243 20 0 BEADMN CO[C@@H](CSCc1nnc[nH]1)C1CCCC1 ZINC001328055441 972864646 /nfs/dbraw/zinc/86/46/46/972864646.db2.gz FCVKAHNCAWGWDE-JTQLQIEISA-N 0 1 241.360 2.243 20 0 BEADMN CCN(CC)Cc1ncn2ccccc12 ZINC001144611467 972882449 /nfs/dbraw/zinc/88/24/49/972882449.db2.gz PLOLLEPLBGOQRP-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN O=C1CCCN1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001328178394 972892674 /nfs/dbraw/zinc/89/26/74/972892674.db2.gz VDUNZNOXRFQQBQ-QWHCGFSZSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664220 972922188 /nfs/dbraw/zinc/92/21/88/972922188.db2.gz APERRWVGVCGSIG-SFYZADRCSA-N 0 1 243.303 2.379 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000396805117 972939484 /nfs/dbraw/zinc/93/94/84/972939484.db2.gz JMWKFECZHLPIQS-PFEDMVJOSA-N 0 1 211.305 2.282 20 0 BEADMN CON(C(=O)c1c(O)cccc1Cl)C(C)C ZINC001328282374 972943576 /nfs/dbraw/zinc/94/35/76/972943576.db2.gz RUAQTNWEWJHSNH-UHFFFAOYSA-N 0 1 243.690 2.458 20 0 BEADMN CCN1C[C@@H](C)N(c2nccs2)C[C@@H]1C ZINC000846756289 973042040 /nfs/dbraw/zinc/04/20/40/973042040.db2.gz WFJBTQUVERACIE-VHSXEESVSA-N 0 1 225.361 2.062 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1CC2CCN1CC2 ZINC001160855707 973081719 /nfs/dbraw/zinc/08/17/19/973081719.db2.gz AZINMTJVCGXBIX-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(Cc1ccoc1)NOc1ccc(F)cc1 ZINC001146551766 973169240 /nfs/dbraw/zinc/16/92/40/973169240.db2.gz NZWRYKDPOQUBAK-UHFFFAOYSA-N 0 1 235.214 2.071 20 0 BEADMN CN1C[C@@H]2CC[N@@H+](Cc3ccc([S-])cc3)[C@@H]2C1 ZINC001276905965 973193748 /nfs/dbraw/zinc/19/37/48/973193748.db2.gz YAHDPLLNWXYEFV-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN C[N@@H+]1C[C@@H]2CCN(Cc3ccc([S-])cc3)[C@@H]2C1 ZINC001276905965 973193760 /nfs/dbraw/zinc/19/37/60/973193760.db2.gz YAHDPLLNWXYEFV-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN C[N@H+]1C[C@@H]2CCN(Cc3ccc([S-])cc3)[C@@H]2C1 ZINC001276905965 973193764 /nfs/dbraw/zinc/19/37/64/973193764.db2.gz YAHDPLLNWXYEFV-GXTWGEPZSA-N 0 1 248.395 2.111 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@@H](C)[C@H]1C ZINC000399580089 973227994 /nfs/dbraw/zinc/22/79/94/973227994.db2.gz RHPVVFDMRRNQJS-UTLUCORTSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H]1C ZINC000399579760 973228100 /nfs/dbraw/zinc/22/81/00/973228100.db2.gz RHPVVFDMRRNQJS-BBBLOLIVSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)[C@H]1C ZINC000399637332 973232372 /nfs/dbraw/zinc/23/23/72/973232372.db2.gz FVASOKMVQMSNCX-BBBLOLIVSA-N 0 1 234.299 2.261 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000400076834 973251424 /nfs/dbraw/zinc/25/14/24/973251424.db2.gz LCSHPJLKHASKFM-RYUDHWBXSA-N 0 1 225.332 2.362 20 0 BEADMN NCc1ncccc1NC(=O)CC1=CCCCC1 ZINC001146749425 973251522 /nfs/dbraw/zinc/25/15/22/973251522.db2.gz TYTMAXMILOGLPU-UHFFFAOYSA-N 0 1 245.326 2.369 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)[nH]n2)[C@@H](CC)CO1 ZINC001328709255 973287908 /nfs/dbraw/zinc/28/79/08/973287908.db2.gz XRSXPSIAXTUCKJ-STQMWFEESA-N 0 1 237.347 2.108 20 0 BEADMN CN1CC2(C1)CCCN(c1ccccc1F)C2 ZINC001276934850 973358624 /nfs/dbraw/zinc/35/86/24/973358624.db2.gz DTERDFMKTNCBJK-UHFFFAOYSA-N 0 1 234.318 2.358 20 0 BEADMN Cc1nc(CN2CC[C@H]3OCCC[C@@H]3C2)[nH]c1C ZINC001329059783 973454197 /nfs/dbraw/zinc/45/41/97/973454197.db2.gz GFRSRYYMHOJUIM-CHWSQXEVSA-N 0 1 249.358 2.027 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1ccsc1 ZINC001276966881 973603639 /nfs/dbraw/zinc/60/36/39/973603639.db2.gz JOLKWOSTBORKQW-AOOOYVTPSA-N 0 1 208.330 2.031 20 0 BEADMN C[N@@H+](C[C@H]1CC=CCC1)[C@H](C(=O)[O-])C1CC1 ZINC000402599895 973629915 /nfs/dbraw/zinc/62/99/15/973629915.db2.gz OUZKESPHIXUYRR-JQWIXIFHSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)CCCCNC(=O)CN1CCCC1 ZINC001147484194 973650842 /nfs/dbraw/zinc/65/08/42/973650842.db2.gz IWMNPMJBSSCVCZ-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000403335631 973672841 /nfs/dbraw/zinc/67/28/41/973672841.db2.gz RZYQYYDRNXBUGV-SSDOTTSWSA-N 0 1 238.114 2.245 20 0 BEADMN CC(C)CNCc1nc(CCc2ccco2)no1 ZINC001329432245 973771878 /nfs/dbraw/zinc/77/18/78/973771878.db2.gz CTQMZJPICKDFLT-UHFFFAOYSA-N 0 1 249.314 2.193 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)CC[C@H]2C)n[nH]1 ZINC001147860857 973783118 /nfs/dbraw/zinc/78/31/18/973783118.db2.gz KSWINPRQWDKBKO-ZYHUDNBSSA-N 0 1 249.358 2.298 20 0 BEADMN CC(C)C(=O)CCN(C)CCC(F)(F)F ZINC001329515711 973806589 /nfs/dbraw/zinc/80/65/89/973806589.db2.gz AVTWAWNAUGYEMV-UHFFFAOYSA-N 0 1 225.254 2.486 20 0 BEADMN O=C(NCc1cnc[nH]1)c1ccccc1C1CC1 ZINC001148470104 973844540 /nfs/dbraw/zinc/84/45/40/973844540.db2.gz KHXPQVGIJXXWJT-UHFFFAOYSA-N 0 1 241.294 2.217 20 0 BEADMN CCc1cccc(-c2noc(C3CN(C)C3)n2)c1 ZINC001247368358 973864745 /nfs/dbraw/zinc/86/47/45/973864745.db2.gz DRTJCZPPQNOMOM-UHFFFAOYSA-N 0 1 243.310 2.328 20 0 BEADMN Cc1ncc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC001329733054 973899626 /nfs/dbraw/zinc/89/96/26/973899626.db2.gz PBJLMPZWCOZKGJ-NWDGAFQWSA-N 0 1 223.295 2.155 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(F)c2F)no1 ZINC001247490055 973962553 /nfs/dbraw/zinc/96/25/53/973962553.db2.gz OEDWIOGFVCDVMO-LURJTMIESA-N 0 1 239.225 2.295 20 0 BEADMN c1nnc(CN2CCC[C@]3(CC=CCC3)C2)[nH]1 ZINC001329878300 973996789 /nfs/dbraw/zinc/99/67/89/973996789.db2.gz RJFBWIXGFIBKGR-CYBMUJFWSA-N 0 1 232.331 2.127 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2c(F)cccc2C1 ZINC001171423021 974037436 /nfs/dbraw/zinc/03/74/36/974037436.db2.gz WRCBWYZEIGJWRE-LBPRGKRZSA-N 0 1 235.302 2.204 20 0 BEADMN C[C@@H]1CC[C@H](c2nc(-c3cccnc3)no2)NC1 ZINC001247818688 974038188 /nfs/dbraw/zinc/03/81/88/974038188.db2.gz MHZXUNVUUWQJQU-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN COc1cccc(F)c1CNC1CC(OC)C1 ZINC001333768931 1169971822 /nfs/dbraw/zinc/97/18/22/1169971822.db2.gz ZFWZSZHDXFTYTL-UHFFFAOYSA-N 0 1 239.290 2.101 20 0 BEADMN CC(C)COc1ccccc1NCc1nnc[nH]1 ZINC001329964646 974054769 /nfs/dbraw/zinc/05/47/69/974054769.db2.gz LRLLWQZOJVUFJR-UHFFFAOYSA-N 0 1 246.314 2.452 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccn1C1CC1)C1CCC1 ZINC001329975054 974063889 /nfs/dbraw/zinc/06/38/89/974063889.db2.gz ZVZIMTBXKALYMD-UHFFFAOYSA-N 0 1 248.326 2.262 20 0 BEADMN CCOC(=N)CCCCOC1CN(C(C)C)C1 ZINC001224964476 974107895 /nfs/dbraw/zinc/10/78/95/974107895.db2.gz YCDALXFRJHPUQA-UHFFFAOYSA-N 0 1 242.363 2.280 20 0 BEADMN Cc1ccc(CC[C@H](C)N2CC(C)(O)C2)cc1 ZINC001171671975 974129860 /nfs/dbraw/zinc/12/98/60/974129860.db2.gz SMDQMOZSFNNWKD-ZDUSSCGKSA-N 0 1 233.355 2.383 20 0 BEADMN Fc1cccc2c1C[C@@H](N(C1CC1)C1COC1)C2 ZINC001171806443 974191616 /nfs/dbraw/zinc/19/16/16/974191616.db2.gz FNDLOANTNLNTQT-LBPRGKRZSA-N 0 1 247.313 2.156 20 0 BEADMN CN(Cc1ccno1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171809308 974201485 /nfs/dbraw/zinc/20/14/85/974201485.db2.gz JBLFESBAKJOOFQ-LLVKDONJSA-N 0 1 246.285 2.413 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171812844 974202929 /nfs/dbraw/zinc/20/29/29/974202929.db2.gz XSIXTHYGDWARRM-DOMZBBRYSA-N 0 1 247.313 2.346 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CC3(CSC3)C1)C2 ZINC001171809761 974203770 /nfs/dbraw/zinc/20/37/70/974203770.db2.gz MXYANAULBJUDLS-NSHDSACASA-N 0 1 249.354 2.342 20 0 BEADMN CN1CC[C@@H](Oc2c(F)cccc2F)C1 ZINC001225200837 974219535 /nfs/dbraw/zinc/21/95/35/974219535.db2.gz UMHSMNVGQHTWCS-MRVPVSSYSA-N 0 1 213.227 2.048 20 0 BEADMN FC(F)(F)c1cc(CNCC=CC2CC2)[nH]n1 ZINC001330333881 974236796 /nfs/dbraw/zinc/23/67/96/974236796.db2.gz IIAAIINGHKWKOA-UPHRSURJSA-N 0 1 245.248 2.484 20 0 BEADMN COCCOc1ccccc1Nc1ccncc1 ZINC001212634103 974258481 /nfs/dbraw/zinc/25/84/81/974258481.db2.gz PBQYCBNMNLBSNI-UHFFFAOYSA-N 0 1 244.294 2.272 20 0 BEADMN CCOc1ncc(C)cc1NCc1cc(C)[nH]n1 ZINC001330563899 974320544 /nfs/dbraw/zinc/32/05/44/974320544.db2.gz LCYVBCRSSTWBCH-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN CCCC(CCC)[S@](=O)Cc1nc[nH]n1 ZINC001330608099 974355131 /nfs/dbraw/zinc/35/51/31/974355131.db2.gz AVXTZSKQHHAVDD-OAHLLOKOSA-N 0 1 229.349 2.022 20 0 BEADMN Fc1ccc(O[C@H]2CN3CCC2CC3)c(F)c1 ZINC001225314128 974390733 /nfs/dbraw/zinc/39/07/33/974390733.db2.gz DCNZOLCOAIACQX-ZDUSSCGKSA-N 0 1 239.265 2.438 20 0 BEADMN CC1(N[C@@H]2CSc3ccccc3C2)COC1 ZINC001172184798 974395411 /nfs/dbraw/zinc/39/54/11/974395411.db2.gz OWMLPTQVKHNCBY-NSHDSACASA-N 0 1 235.352 2.082 20 0 BEADMN F[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)O3)CCC1(F)F ZINC001172221387 974452323 /nfs/dbraw/zinc/45/23/23/974452323.db2.gz KRGKXUQWKUYXRV-HUAZRZQGSA-N 0 1 249.276 2.376 20 0 BEADMN CC(C)n1cnc(CN[C@@H]2COC(C)(C)C2)c1 ZINC001172281675 974538830 /nfs/dbraw/zinc/53/88/30/974538830.db2.gz XZTVKUVIZJJQDU-NSHDSACASA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)n1cnc(CN[C@H]2COC(C)(C)C2)c1 ZINC001172281674 974540847 /nfs/dbraw/zinc/54/08/47/974540847.db2.gz XZTVKUVIZJJQDU-LLVKDONJSA-N 0 1 237.347 2.121 20 0 BEADMN CC1(C)C[C@H](N2CC[C@](C)(F)[C@H](F)C2)CO1 ZINC001172283988 974546126 /nfs/dbraw/zinc/54/61/26/974546126.db2.gz NZHGRJTYEWIOQV-UMNHJUIQSA-N 0 1 233.302 2.326 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)NCc2cc(N)ccn2)C1 ZINC001330985591 974551364 /nfs/dbraw/zinc/55/13/64/974551364.db2.gz SNQHZVQQJJUXCB-GHMZBOCLSA-N 0 1 247.342 2.106 20 0 BEADMN CC(C)(C)c1nccc(NCCN2CC=CC2)n1 ZINC001330999184 974553144 /nfs/dbraw/zinc/55/31/44/974553144.db2.gz XSCNDQFPBGMPMB-UHFFFAOYSA-N 0 1 246.358 2.058 20 0 BEADMN CN(CCCF)Cn1nccc1-c1cccnc1 ZINC001331061555 974581381 /nfs/dbraw/zinc/58/13/81/974581381.db2.gz JMOKESTYHKJQHA-UHFFFAOYSA-N 0 1 248.305 2.194 20 0 BEADMN CC(=O)c1ccc([O-])cc1OC1CC[NH+](C)CC1 ZINC001225616567 974594504 /nfs/dbraw/zinc/59/45/04/974594504.db2.gz LZCCAEDOLUSERX-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1ccc(O)cc1OC1CCN(C)CC1 ZINC001225616567 974594512 /nfs/dbraw/zinc/59/45/12/974594512.db2.gz LZCCAEDOLUSERX-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1ccc(O)cc1O[C@@H]1CCCN(C)C1 ZINC001225617189 974599716 /nfs/dbraw/zinc/59/97/16/974599716.db2.gz VMPYMCQOLLGJRW-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CCOC1CN([C@H](C)CCO[C@@H](C)CC)C1 ZINC001172341461 974607991 /nfs/dbraw/zinc/60/79/91/974607991.db2.gz UBLMRNCHZZKLOC-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC[C@H]3C[C@H]32)[nH]1 ZINC001331111839 974608929 /nfs/dbraw/zinc/60/89/29/974608929.db2.gz TZFLLMDWPQPGID-GXSJLCMTSA-N 0 1 233.315 2.158 20 0 BEADMN CC(C)(C(=O)N1CC(C)(C)C1(C)C)c1c[nH]cn1 ZINC001331120106 974611634 /nfs/dbraw/zinc/61/16/34/974611634.db2.gz JPLAKFZDGVZKME-UHFFFAOYSA-N 0 1 249.358 2.334 20 0 BEADMN CC[C@H](CC(C)C)N1CCO[C@@H](C(C)=O)C1 ZINC001172404789 974658946 /nfs/dbraw/zinc/65/89/46/974658946.db2.gz LJAQHMGTXLDERF-CHWSQXEVSA-N 0 1 227.348 2.101 20 0 BEADMN CCOCC[C@@H](C)NCc1ncc(F)cc1F ZINC001172411787 974676070 /nfs/dbraw/zinc/67/60/70/974676070.db2.gz OQJFOGLELWQPFY-SECBINFHSA-N 0 1 244.285 2.265 20 0 BEADMN Cc1ccc([C@@H](C)Oc2[nH]c(=O)ncc2F)cn1 ZINC001225882504 974714455 /nfs/dbraw/zinc/71/44/55/974714455.db2.gz UHOCNFHPNIPEQO-MRVPVSSYSA-N 0 1 249.245 2.165 20 0 BEADMN CN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001225900169 974719902 /nfs/dbraw/zinc/71/99/02/974719902.db2.gz AWOXMPDNMYOAEF-VIFPVBQESA-N 0 1 213.227 2.048 20 0 BEADMN Fc1cccc(O[C@@H]2CN3CCC2CC3)c1F ZINC001225925684 974732058 /nfs/dbraw/zinc/73/20/58/974732058.db2.gz YQSRGWLZLMMQAJ-GFCCVEGCSA-N 0 1 239.265 2.438 20 0 BEADMN CN1CC[C@@H](Oc2ccc(F)c(F)c2F)C1 ZINC001225950609 974742084 /nfs/dbraw/zinc/74/20/84/974742084.db2.gz FUMFODRUCPMVRQ-SSDOTTSWSA-N 0 1 231.217 2.187 20 0 BEADMN COc1cccc(NCc2cc(C)[nH]n2)c1OC ZINC001331503319 974742526 /nfs/dbraw/zinc/74/25/26/974742526.db2.gz ZMTQBDSQLLOAFF-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COC1=CC[C@@H](Oc2cccc3[nH]nnc32)CC1 ZINC001225991482 974754770 /nfs/dbraw/zinc/75/47/70/974754770.db2.gz BWYVAGOQBSPDBG-SNVBAGLBSA-N 0 1 245.282 2.420 20 0 BEADMN Cc1ncc(CNCc2c(C)ccnc2N)s1 ZINC001331552655 974757646 /nfs/dbraw/zinc/75/76/46/974757646.db2.gz JKSOQMASTQXLOO-UHFFFAOYSA-N 0 1 248.355 2.027 20 0 BEADMN CCN1CC[C@@H](Oc2cc(F)cnc2Cl)C1 ZINC001226111274 974793707 /nfs/dbraw/zinc/79/37/07/974793707.db2.gz UEFIDWOODJEMKO-SECBINFHSA-N 0 1 244.697 2.347 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ccncc2F)n1 ZINC001226157654 974813261 /nfs/dbraw/zinc/81/32/61/974813261.db2.gz CRPRAAAABMQSCS-MRVPVSSYSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001226159103 974814320 /nfs/dbraw/zinc/81/43/20/974814320.db2.gz HTEQLZKQFPVQBU-OWUUHHOZSA-N 0 1 234.299 2.304 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC001226157489 974814690 /nfs/dbraw/zinc/81/46/90/974814690.db2.gz ZXRWKKISBAXPNU-IVZWLZJFSA-N 0 1 220.272 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2nccs2)n1 ZINC001226159720 974814668 /nfs/dbraw/zinc/81/46/68/974814668.db2.gz UKJUMVZNVMLQEY-ZETCQYMHSA-N 0 1 237.284 2.087 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@]2(F)c2ccccc2)n[nH]1 ZINC001331838200 974833332 /nfs/dbraw/zinc/83/33/32/974833332.db2.gz PBWVBMPXDZLCNQ-KGLIPLIRSA-N 0 1 245.301 2.445 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)C1CC1 ZINC001226300432 974848873 /nfs/dbraw/zinc/84/88/73/974848873.db2.gz NRWLYEHONAQPAU-ZETCQYMHSA-N 0 1 203.245 2.135 20 0 BEADMN C[C@@H](Cc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226325256 974855397 /nfs/dbraw/zinc/85/53/97/974855397.db2.gz YRFWXURYQNVDRI-JTQLQIEISA-N 0 1 230.267 2.192 20 0 BEADMN C[C@@H](Oc1nccc(=O)[nH]1)c1cccs1 ZINC001226324314 974855472 /nfs/dbraw/zinc/85/54/72/974855472.db2.gz LDAOVBOSLWMTJP-SSDOTTSWSA-N 0 1 222.269 2.384 20 0 BEADMN CC[C@@H](Oc1nccc(=O)[nH]1)C(C)(C)C ZINC001226323466 974855817 /nfs/dbraw/zinc/85/58/17/974855817.db2.gz FAICFZGIAZENBC-MRVPVSSYSA-N 0 1 210.277 2.386 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226325266 974857492 /nfs/dbraw/zinc/85/74/92/974857492.db2.gz YTPWKXAGPANRHU-BDAKNGLRSA-N 0 1 208.261 2.140 20 0 BEADMN Cc1cnc(F)c([C@@H](C)Oc2nccc(=O)[nH]2)c1 ZINC001226325904 974858139 /nfs/dbraw/zinc/85/81/39/974858139.db2.gz GRQIBOMPTHEDCL-MRVPVSSYSA-N 0 1 249.245 2.165 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2nccc(=O)[nH]2)[C@H]1C ZINC001226326741 974859493 /nfs/dbraw/zinc/85/94/93/974859493.db2.gz NDUNLSTUWXWFFK-UTLUCORTSA-N 0 1 222.288 2.386 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2ccnc(C)c2)no1 ZINC001212668819 974868434 /nfs/dbraw/zinc/86/84/34/974868434.db2.gz RPZIPDIGQHXQAY-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CC1(C)CC(NCc2ncccn2)CC(C)(C)O1 ZINC001172639268 974892381 /nfs/dbraw/zinc/89/23/81/974892381.db2.gz CRKIDJLSTNTHMJ-UHFFFAOYSA-N 0 1 249.358 2.302 20 0 BEADMN CCc1cccc(CC)c1NC[C@@H]1COCCN1 ZINC000258626369 974897513 /nfs/dbraw/zinc/89/75/13/974897513.db2.gz KBFMUXZBDOEFPY-CQSZACIVSA-N 0 1 248.370 2.212 20 0 BEADMN Clc1ccc2c(c1)C[C@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001172721868 974906982 /nfs/dbraw/zinc/90/69/82/974906982.db2.gz KWEWUUKXICQWMI-RDBSUJKOSA-N 0 1 249.741 2.280 20 0 BEADMN CC(C)OC(=O)CC[C@H](C)N1CC[C@H](F)C1 ZINC001172755399 974930616 /nfs/dbraw/zinc/93/06/16/974930616.db2.gz PRFAHHHGEICLKJ-QWRGUYRKSA-N 0 1 231.311 2.151 20 0 BEADMN CO[C@H](C)COc1nc2ccc(C)cc2[nH]1 ZINC001226507432 974930706 /nfs/dbraw/zinc/93/07/06/974930706.db2.gz ZFFODVDLXABYII-SECBINFHSA-N 0 1 220.272 2.285 20 0 BEADMN CC(=O)[C@H](C)Oc1nc2ccc(C)cc2[nH]1 ZINC001226507003 974931858 /nfs/dbraw/zinc/93/18/58/974931858.db2.gz WXVYVNKPZUSRIA-VIFPVBQESA-N 0 1 218.256 2.228 20 0 BEADMN Cc1ccc2c(c1)C[C@@H](N1CCOCC1)CC2 ZINC001172839403 974955983 /nfs/dbraw/zinc/95/59/83/974955983.db2.gz TXYDLKGJYUODNS-HNNXBMFYSA-N 0 1 231.339 2.185 20 0 BEADMN CCc1coc(CN[C@@H]2CCC[C@H](OC)C2)n1 ZINC001172915420 974964759 /nfs/dbraw/zinc/96/47/59/974964759.db2.gz RELXNVDTJLMMTN-NEPJUHHUSA-N 0 1 238.331 2.284 20 0 BEADMN NCc1nccn1C1CCC2(CCOCC2)CC1 ZINC001173037303 975011958 /nfs/dbraw/zinc/01/19/58/975011958.db2.gz KKNQLNLCSNEPFQ-UHFFFAOYSA-N 0 1 249.358 2.254 20 0 BEADMN NCc1nnnn1C1CCC2(CCCCC2)CC1 ZINC001173115996 975024233 /nfs/dbraw/zinc/02/42/33/975024233.db2.gz LUBRMXDUBAYBET-UHFFFAOYSA-N 0 1 249.362 2.197 20 0 BEADMN CCC[C@H](CC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226688972 975026439 /nfs/dbraw/zinc/02/64/39/975026439.db2.gz XJLDYCNFLSLRNM-QMMMGPOBSA-N 0 1 248.286 2.083 20 0 BEADMN C[C@H]1CCc2[nH]n(C3CCC3)c(=O)c2C1 ZINC001332278988 975038831 /nfs/dbraw/zinc/03/88/31/975038831.db2.gz SZCJPXJSPBPVDS-WCBMZHEXSA-N 0 1 206.289 2.173 20 0 BEADMN CN1CC[C@@H](Oc2cnc(Cl)cc2Cl)C1 ZINC001226890289 975137827 /nfs/dbraw/zinc/13/78/27/975137827.db2.gz VBUWVBMDCDGQBS-SSDOTTSWSA-N 0 1 247.125 2.471 20 0 BEADMN C=CC(=O)OC[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226927749 975154490 /nfs/dbraw/zinc/15/44/90/975154490.db2.gz APPOXBDPEVBSND-SECBINFHSA-N 0 1 246.266 2.059 20 0 BEADMN C[C@H](Oc1ccc2nc[nH]c2c1)c1cnccn1 ZINC001226930011 975159006 /nfs/dbraw/zinc/15/90/06/975159006.db2.gz NLDVDHZUUYQTNO-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN CC[C@H](COc1ccc2nc[nH]c2c1)OC ZINC001226930118 975159071 /nfs/dbraw/zinc/15/90/71/975159071.db2.gz PRSJGXLMKOWHHC-SECBINFHSA-N 0 1 220.272 2.367 20 0 BEADMN CCO[C@H](C)COc1ccc2nc[nH]c2c1 ZINC001226930539 975160272 /nfs/dbraw/zinc/16/02/72/975160272.db2.gz VBENRCKUOBNAFB-SECBINFHSA-N 0 1 220.272 2.367 20 0 BEADMN C[C@@H]1COCC[C@@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929186 975160773 /nfs/dbraw/zinc/16/07/73/975160773.db2.gz BDKRAKGWQHDYJX-RNCFNFMXSA-N 0 1 232.283 2.367 20 0 BEADMN CCO[C@@H](C)COc1ccc2nc[nH]c2c1 ZINC001226930540 975160940 /nfs/dbraw/zinc/16/09/40/975160940.db2.gz VBENRCKUOBNAFB-VIFPVBQESA-N 0 1 220.272 2.367 20 0 BEADMN CCSC[C@@H](C)NCc1cncc(Cl)n1 ZINC001173292603 975167841 /nfs/dbraw/zinc/16/78/41/975167841.db2.gz ZSVOCRTVDXGEMZ-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN CCc1ccncc1NCc1cc(C)[nH]n1 ZINC001332540369 975206042 /nfs/dbraw/zinc/20/60/42/975206042.db2.gz VAPCZCYWDQXVSV-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CC[C@H](Oc1cc(=O)[nH]c(OC)n1)C(C)(C)C ZINC001227000331 975217514 /nfs/dbraw/zinc/21/75/14/975217514.db2.gz ISWDIAYAGUJTHY-QMMMGPOBSA-N 0 1 240.303 2.394 20 0 BEADMN CCc1nc(NC(=O)C(C)=Cc2ccco2)n[nH]1 ZINC001332656474 975243370 /nfs/dbraw/zinc/24/33/70/975243370.db2.gz AJDAZIYTKUPQNI-FPLPWBNLSA-N 0 1 246.270 2.002 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)=Cc2ccco2)n1 ZINC001332656474 975243380 /nfs/dbraw/zinc/24/33/80/975243380.db2.gz AJDAZIYTKUPQNI-FPLPWBNLSA-N 0 1 246.270 2.002 20 0 BEADMN CC[C@H]1CC[C@H](N2CCn3nccc3C2)C1 ZINC001173285103 975244058 /nfs/dbraw/zinc/24/40/58/975244058.db2.gz UZZJHSYALSEJGF-RYUDHWBXSA-N 0 1 219.332 2.277 20 0 BEADMN CCSC[C@H](C)NCc1ncccc1OC ZINC001173292197 975269212 /nfs/dbraw/zinc/26/92/12/975269212.db2.gz VSOYOLKNVUMITA-JTQLQIEISA-N 0 1 240.372 2.321 20 0 BEADMN CCC[C@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271673 975346457 /nfs/dbraw/zinc/34/64/57/975346457.db2.gz ZYCQPXRDKIDOIM-ZETCQYMHSA-N 0 1 221.260 2.231 20 0 BEADMN Cc1nc2cc(NC(C)(C)CCO)ccc2[nH]1 ZINC000258962252 975349415 /nfs/dbraw/zinc/34/94/15/975349415.db2.gz XXSTUTBFRCBTSD-UHFFFAOYSA-N 0 1 233.315 2.444 20 0 BEADMN CO[C@H](C)COc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227352074 975371477 /nfs/dbraw/zinc/37/14/77/975371477.db2.gz ZWKNMHGLHUGJAW-SECBINFHSA-N 0 1 248.282 2.058 20 0 BEADMN Fc1ccccc1CN1CC[C@H]2OCC[C@H]21 ZINC001203346195 975381497 /nfs/dbraw/zinc/38/14/97/975381497.db2.gz IRAZVFNFOPEGJF-CHWSQXEVSA-N 0 1 221.275 2.189 20 0 BEADMN Cc1nnc(Nc2cccnc2C2CC2)o1 ZINC001212735376 975400607 /nfs/dbraw/zinc/40/06/07/975400607.db2.gz UKUXMPOPZDUWJD-UHFFFAOYSA-N 0 1 216.244 2.394 20 0 BEADMN C[C@@H]1CCCC[C@H]1Oc1ncnc2nc[nH]c21 ZINC001227531352 975507247 /nfs/dbraw/zinc/50/72/47/975507247.db2.gz IBXWBFFOPDGHSP-RKDXNWHRSA-N 0 1 232.287 2.310 20 0 BEADMN C[C@H]1CCC[C@@H](Oc2ncnc3nc[nH]c32)C1 ZINC001227532344 975513599 /nfs/dbraw/zinc/51/35/99/975513599.db2.gz SSBPEVWCPCKOPU-DTWKUNHWSA-N 0 1 232.287 2.310 20 0 BEADMN CSc1ccc(-n2cnc(C)c2N)cc1 ZINC001173814224 975565890 /nfs/dbraw/zinc/56/58/90/975565890.db2.gz ISMOIAFBYNICIW-UHFFFAOYSA-N 0 1 219.313 2.485 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCC[C@@H](C)C1 ZINC001227598537 975569141 /nfs/dbraw/zinc/56/91/41/975569141.db2.gz JOGCDBMIOKFMHD-APPZFPTMSA-N 0 1 239.344 2.426 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599061 975570727 /nfs/dbraw/zinc/57/07/27/975570727.db2.gz PEQYHZMWQZMIGQ-XPUUQOCRSA-N 0 1 227.333 2.282 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H](C)c1ccccn1 ZINC001227599272 975572560 /nfs/dbraw/zinc/57/25/60/975572560.db2.gz XIKRMELNCQYHCL-MRVPVSSYSA-N 0 1 248.311 2.004 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCC[C@@H]1C ZINC001227600183 975577732 /nfs/dbraw/zinc/57/77/32/975577732.db2.gz MXAIHHOEAIGZMZ-XPUUQOCRSA-N 0 1 225.317 2.036 20 0 BEADMN CCN1CCC[C@@H](Oc2ccsn2)C1 ZINC001227733954 975655870 /nfs/dbraw/zinc/65/58/70/975655870.db2.gz IOTOCJIVUAADAX-SECBINFHSA-N 0 1 212.318 2.006 20 0 BEADMN CCCC[C@@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227691093 975614732 /nfs/dbraw/zinc/61/47/32/975614732.db2.gz RLTDPNPGUAPGME-MRVPVSSYSA-N 0 1 238.287 2.170 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1cnn(C)c1 ZINC001333325926 975661187 /nfs/dbraw/zinc/66/11/87/975661187.db2.gz CPNAEYJUVIRFHI-UWVGGRQHSA-N 0 1 248.305 2.366 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227807596 975706152 /nfs/dbraw/zinc/70/61/52/975706152.db2.gz ABQUOVKZCNQKFA-SFYZADRCSA-N 0 1 235.287 2.477 20 0 BEADMN C[C@H](Oc1[nH]c(=O)nc2cc[nH]c21)C1CCC1 ZINC001227806882 975710684 /nfs/dbraw/zinc/71/06/84/975710684.db2.gz PCGPVGKPBCVOST-ZETCQYMHSA-N 0 1 233.271 2.231 20 0 BEADMN Cc1cc(CN2CCC(CCF)CC2)[nH]n1 ZINC001333368906 975712976 /nfs/dbraw/zinc/71/29/76/975712976.db2.gz OHCLZWMTQQPBHA-UHFFFAOYSA-N 0 1 225.311 2.290 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1cccnc1 ZINC001173853645 975763829 /nfs/dbraw/zinc/76/38/29/975763829.db2.gz FJPMVHWLVHUGFS-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ncn(-c2c(F)cccc2F)c1N ZINC001173858894 975798180 /nfs/dbraw/zinc/79/81/80/975798180.db2.gz BZZYNOHJXAAVIW-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN COc1cccc(OC)c1Nc1c(C)ncn1C ZINC001173923236 975899470 /nfs/dbraw/zinc/89/94/70/975899470.db2.gz CPXYEWSVPWJSNB-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN COc1ccc(OC)c(Nc2cncn2C)c1 ZINC001173918024 975901322 /nfs/dbraw/zinc/90/13/22/975901322.db2.gz OVSJOMMSPZZKFC-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN Clc1cc(Nc2ccncc2)c(Cl)nn1 ZINC001173879040 975908632 /nfs/dbraw/zinc/90/86/32/975908632.db2.gz BOUQCAMMQXAHBT-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN c1cc2c(ncnc2Nc2ccncc2)s1 ZINC001173879186 975909178 /nfs/dbraw/zinc/90/91/78/975909178.db2.gz KEVVCGVPVXLXDV-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN Clc1ccc(Nc2ccncc2)nc1 ZINC001173879071 975909559 /nfs/dbraw/zinc/90/95/59/975909559.db2.gz DEGSEJQGOFTEHH-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN CCOc1cccnc1Nc1ccncc1 ZINC001173879718 975914839 /nfs/dbraw/zinc/91/48/39/975914839.db2.gz YWRDYEIHXNNVTE-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN c1ccc2nc(Nc3ccncc3)ncc2c1 ZINC001173879460 975917506 /nfs/dbraw/zinc/91/75/06/975917506.db2.gz PFHOMYANMIUVGM-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN FC(F)(F)Cn1cc(Nc2ccncc2)cn1 ZINC001173879721 975917941 /nfs/dbraw/zinc/91/79/41/975917941.db2.gz YYRDQUNPHUDXBV-UHFFFAOYSA-N 0 1 242.204 2.006 20 0 BEADMN COc1cnc(Cl)c(Nc2ccncc2)c1 ZINC001173881565 975920412 /nfs/dbraw/zinc/92/04/12/975920412.db2.gz ZDCGAROBLUJUOT-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COC(=O)c1c(C)csc1Nc1ccncc1 ZINC001173881731 975924420 /nfs/dbraw/zinc/92/44/20/975924420.db2.gz IDTCSWKKQSNSDP-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN Clc1nncc(Nc2ccncc2)c1Cl ZINC001173881282 975925984 /nfs/dbraw/zinc/92/59/84/975925984.db2.gz KTBVIIGPIZYNFV-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN Oc1cc(Cl)cnc1Nc1ccncc1 ZINC001173882093 975931462 /nfs/dbraw/zinc/93/14/62/975931462.db2.gz RDHKLBSYHFYZGI-UHFFFAOYSA-N 0 1 221.647 2.001 20 0 BEADMN FC(F)(F)c1cncc(Nc2ccncc2)n1 ZINC001173882510 975937170 /nfs/dbraw/zinc/93/71/70/975937170.db2.gz XHSIBLOCFQSULX-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN Cc1ccc(F)c(Nc2ccncc2)n1 ZINC001173882668 975938460 /nfs/dbraw/zinc/93/84/60/975938460.db2.gz UCKUIBXQOOCVEZ-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN CC1(C)CCC([S@](=O)Cc2nc[nH]n2)CC1 ZINC001333656660 975940576 /nfs/dbraw/zinc/94/05/76/975940576.db2.gz UGYBADOCXUHICR-MRXNPFEDSA-N 0 1 241.360 2.022 20 0 BEADMN c1cc2nccnc2c(Nc2ccncc2)c1 ZINC001173883115 975946332 /nfs/dbraw/zinc/94/63/32/975946332.db2.gz HYCFGWKALZQRIE-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN COC(=O)c1ccc(Nc2ccncc2)cc1F ZINC001173883860 975952233 /nfs/dbraw/zinc/95/22/33/975952233.db2.gz XPHYFGZPHHKTFL-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN Cc1cc(F)c(Nc2ccncc2)cc1O ZINC001173884181 975974846 /nfs/dbraw/zinc/97/48/46/975974846.db2.gz AQNWCCUQXTYYFH-UHFFFAOYSA-N 0 1 218.231 2.400 20 0 BEADMN COc1cc(Nc2ccncc2)ccc1C(C)=O ZINC001173884261 975975865 /nfs/dbraw/zinc/97/58/65/975975865.db2.gz FLGZIFBLMCRQGM-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN Cc1cc(Nc2ccncc2)ccc1CO ZINC001173884670 975976336 /nfs/dbraw/zinc/97/63/36/975976336.db2.gz VWDNTLDYTHAUIZ-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN c1cc2c(c(Nc3ccncc3)c1)COC2 ZINC001173884911 975976488 /nfs/dbraw/zinc/97/64/88/975976488.db2.gz XOJIROORBLONSX-UHFFFAOYSA-N 0 1 212.252 2.277 20 0 BEADMN COc1cccc(Nc2cncn2C)c1F ZINC001173970837 975990073 /nfs/dbraw/zinc/99/00/73/975990073.db2.gz DPWNDSLCXWTQEO-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN COC(=O)c1cccc(Nc2c(C)ncn2C)c1 ZINC001173962793 976011265 /nfs/dbraw/zinc/01/12/65/976011265.db2.gz AYWIUAPIENJPAA-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN CCOc1ccccc1N(C)Cc1cnc[nH]1 ZINC001333712900 976020170 /nfs/dbraw/zinc/02/01/70/976020170.db2.gz FCONZRMFGPNIND-UHFFFAOYSA-N 0 1 231.299 2.445 20 0 BEADMN Cn1ncc(CN2CC=CCC2)c1C1CC1 ZINC001333752049 976060498 /nfs/dbraw/zinc/06/04/98/976060498.db2.gz DBSDYGPIFMDFMT-UHFFFAOYSA-N 0 1 217.316 2.059 20 0 BEADMN Cc1ncn(-c2cc(F)ccc2F)c1N ZINC001173950101 976104494 /nfs/dbraw/zinc/10/44/94/976104494.db2.gz UJFYPQKIVMRLHU-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN Cn1cncc1Nc1cc(F)ccc1F ZINC001173950891 976108428 /nfs/dbraw/zinc/10/84/28/976108428.db2.gz MOLQJLJYXJWNFC-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN CCn1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)nn1 ZINC001333836253 976111529 /nfs/dbraw/zinc/11/15/29/976111529.db2.gz ZXDPSWRYUNTPBU-CMPLNLGQSA-N 0 1 236.363 2.212 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CCC2(C)C)n1 ZINC001333888552 976147258 /nfs/dbraw/zinc/14/72/58/976147258.db2.gz RVAUPOZKNCHDJS-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC001333888552 976147268 /nfs/dbraw/zinc/14/72/68/976147268.db2.gz RVAUPOZKNCHDJS-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001228389450 976186339 /nfs/dbraw/zinc/18/63/39/976186339.db2.gz XVMOGCLKUNAJNT-BDAKNGLRSA-N 0 1 238.287 2.235 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2nc(O)cc(=O)[nH]2)[C@@H]1C ZINC001228388791 976187451 /nfs/dbraw/zinc/18/74/51/976187451.db2.gz NGAHADJQMVZAET-IWSPIJDZSA-N 0 1 238.287 2.091 20 0 BEADMN O=C(NC/C=C/C1CC1)c1cccc(F)c1O ZINC001333969015 976189226 /nfs/dbraw/zinc/18/92/26/976189226.db2.gz INLFEKHGXWNLMG-NSCUHMNNSA-N 0 1 235.258 2.227 20 0 BEADMN C/C(Cl)=C\C(=O)N1CCN(C(C)(C)C)CC1 ZINC001333993137 976195683 /nfs/dbraw/zinc/19/56/83/976195683.db2.gz GKSYCFWMLNZGIT-MDZDMXLPSA-N 0 1 244.766 2.072 20 0 BEADMN COc1cccc(O[C@H]2CCCN(C)C2)c1F ZINC001228570055 976328852 /nfs/dbraw/zinc/32/88/52/976328852.db2.gz WVNAIMFEQDMMMA-JTQLQIEISA-N 0 1 239.290 2.307 20 0 BEADMN CCN1CC[C@@H](Oc2cc(C)cnc2F)C1 ZINC001228585993 976352196 /nfs/dbraw/zinc/35/21/96/976352196.db2.gz IYBKEMSTHMKUQA-SNVBAGLBSA-N 0 1 224.279 2.002 20 0 BEADMN Nc1cncn1-c1cccc2cnccc21 ZINC001174135516 976367070 /nfs/dbraw/zinc/36/70/70/976367070.db2.gz GKHCZWOLWKEAHD-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN COCn1ncc(C)c1CN1CCCC2(CC2)C1 ZINC001334216904 976381666 /nfs/dbraw/zinc/38/16/66/976381666.db2.gz GVGGFRRLSPGFAQ-UHFFFAOYSA-N 0 1 249.358 2.171 20 0 BEADMN CO[C@H]1CCCC[C@@H]1Oc1ccc2[nH]nnc2c1 ZINC001228663062 976415674 /nfs/dbraw/zinc/41/56/74/976415674.db2.gz SCEOBPXVRGNADF-STQMWFEESA-N 0 1 247.298 2.294 20 0 BEADMN COC1=CC[C@H](Oc2ccc3[nH]nnc3c2)CC1 ZINC001228662424 976417113 /nfs/dbraw/zinc/41/71/13/976417113.db2.gz HEWWGHMJMSGVIX-JTQLQIEISA-N 0 1 245.282 2.420 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1cccnc1 ZINC001228663805 976420147 /nfs/dbraw/zinc/42/01/47/976420147.db2.gz IUAYCSAEXMIESR-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)c1ccncc1 ZINC001228664606 976423091 /nfs/dbraw/zinc/42/30/91/976423091.db2.gz OVKAMUMXTJAYNI-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CC(=O)OC[C@H](C)N[C@H]1c2ccccc2O[C@H]1C ZINC001334285325 976424114 /nfs/dbraw/zinc/42/41/14/976424114.db2.gz BDOMASOJFBUGDO-PKFCDNJMSA-N 0 1 249.310 2.050 20 0 BEADMN CC1(C)C[C@@H](Oc2ccc3[nH]nnc3c2)CCO1 ZINC001228667317 976428462 /nfs/dbraw/zinc/42/84/62/976428462.db2.gz MSOIJYYTDWNFGA-JTQLQIEISA-N 0 1 247.298 2.294 20 0 BEADMN Fc1cncc(Nc2nonc2C2CC2)c1 ZINC001174289964 976458034 /nfs/dbraw/zinc/45/80/34/976458034.db2.gz FVDYCKADHPSYBI-UHFFFAOYSA-N 0 1 220.207 2.225 20 0 BEADMN Cc1cc(Nc2cn[nH]c2)n(-c2ccncc2)n1 ZINC001174295539 976477903 /nfs/dbraw/zinc/47/79/03/976477903.db2.gz HYSYGXDUCQLNGV-UHFFFAOYSA-N 0 1 240.270 2.042 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCC(F)F ZINC001334409320 976485713 /nfs/dbraw/zinc/48/57/13/976485713.db2.gz FOWBBSQCDFDATA-ZCFIWIBFSA-N 0 1 219.235 2.074 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc2[nH]ncc2c1 ZINC001174272385 976497146 /nfs/dbraw/zinc/49/71/46/976497146.db2.gz LCBQAIKJEZTUFA-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1cccc2c1cnn2-c1ccc2n[nH]cc2c1 ZINC001174273794 976500335 /nfs/dbraw/zinc/50/03/35/976500335.db2.gz SRJXSSNFCVAYHG-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1cn(-c2ccc3n[nH]cc3c2)c2cccnc12 ZINC001174274395 976500395 /nfs/dbraw/zinc/50/03/95/976500395.db2.gz GADUNUWCMODDOT-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CN1CCC[C@@H](Oc2cccc3c2C(=O)CC3)C1 ZINC001228836112 976511436 /nfs/dbraw/zinc/51/14/36/976511436.db2.gz ZWMDBAGJFKFJKY-GFCCVEGCSA-N 0 1 245.322 2.289 20 0 BEADMN CN(CCOC1CC1)CCC(F)(F)F ZINC001334566675 976557751 /nfs/dbraw/zinc/55/77/51/976557751.db2.gz HNBJUDPAJYNPOU-UHFFFAOYSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1cc(Nc2cccc3[nH]ncc32)nn1C ZINC001174342507 976562905 /nfs/dbraw/zinc/56/29/05/976562905.db2.gz QCLSZIGSMXUICM-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nccnc1Nc1cccc2[nH]ncc21 ZINC001174342026 976566985 /nfs/dbraw/zinc/56/69/85/976566985.db2.gz AZBQCVBPJRWLMD-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN c1coc(Nc2cccc3[nH]ncc32)n1 ZINC001174343669 976574882 /nfs/dbraw/zinc/57/48/82/976574882.db2.gz YPMOBRFEKSYMHG-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H]2CCCC[C@H]2C)n1 ZINC001228918077 976577995 /nfs/dbraw/zinc/57/79/95/976577995.db2.gz LKTHCKWZUXPGDB-RKDXNWHRSA-N 0 1 238.287 2.148 20 0 BEADMN CCOC(=O)c1cc(-c2nc(C)cs2)n[nH]1 ZINC000259658655 976587868 /nfs/dbraw/zinc/58/78/68/976587868.db2.gz JRAFTXQFJVRSJP-UHFFFAOYSA-N 0 1 237.284 2.018 20 0 BEADMN Nc1cncn1-c1ccc2ncsc2c1 ZINC001174363706 976605756 /nfs/dbraw/zinc/60/57/56/976605756.db2.gz KGGXIQZLJSIXHG-UHFFFAOYSA-N 0 1 216.269 2.064 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccncc1 ZINC001228991430 976617839 /nfs/dbraw/zinc/61/78/39/976617839.db2.gz ZQPVKMDEUVVAQV-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C1=CO[C@H](COc2nnc3c[nH]ccc2-3)CC1 ZINC001228997273 976628597 /nfs/dbraw/zinc/62/85/97/976628597.db2.gz XZCXAXPLKYGSAW-VIFPVBQESA-N 0 1 231.255 2.029 20 0 BEADMN COc1ccc(F)c(F)c1-n1cnc(C)c1N ZINC001174422535 976681732 /nfs/dbraw/zinc/68/17/32/976681732.db2.gz BMTCKULWZQPWDU-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CC(C)Cc1ccc(COCc2nn[nH]n2)cc1 ZINC001334806882 976695481 /nfs/dbraw/zinc/69/54/81/976695481.db2.gz UVZUHTJZSRJVOA-UHFFFAOYSA-N 0 1 246.314 2.115 20 0 BEADMN CN1CC[C@@H](Oc2ccc(Cl)nc2Cl)C1 ZINC001229087482 976709966 /nfs/dbraw/zinc/70/99/66/976709966.db2.gz CZQLUQORYJCYQW-SSDOTTSWSA-N 0 1 247.125 2.471 20 0 BEADMN CN1CC[C@H](Oc2ccc(Cl)nc2Cl)C1 ZINC001229087483 976714045 /nfs/dbraw/zinc/71/40/45/976714045.db2.gz CZQLUQORYJCYQW-ZETCQYMHSA-N 0 1 247.125 2.471 20 0 BEADMN c1nocc1Nc1ccc2c[nH]nc2c1 ZINC001174497635 976718402 /nfs/dbraw/zinc/71/84/02/976718402.db2.gz CCFCZHZLROLGIJ-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN Cc1ncncc1Nc1ccc2c[nH]nc2c1 ZINC001174498105 976720013 /nfs/dbraw/zinc/72/00/13/976720013.db2.gz UZDMNWHSEYTBNU-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN c1[nH]nc2cc(Nc3ccnnc3)ccc12 ZINC001174498182 976721565 /nfs/dbraw/zinc/72/15/65/976721565.db2.gz YNBSNGNKFPZNAC-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN Nc1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174499547 976725677 /nfs/dbraw/zinc/72/56/77/976725677.db2.gz SYITVBDMBZHOCI-UHFFFAOYSA-N 0 1 225.255 2.284 20 0 BEADMN Cn1cnc(Nc2ccc3cn[nH]c3c2)c1 ZINC001174499075 976732011 /nfs/dbraw/zinc/73/20/11/976732011.db2.gz LQBRCRDYTPMAIB-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ccc(C[NH2+]C[C@H](F)C(=O)[O-])c(Cl)c1 ZINC001334844212 976744936 /nfs/dbraw/zinc/74/49/36/976744936.db2.gz ITFVPZDWEKYHAW-JTQLQIEISA-N 0 1 245.681 2.161 20 0 BEADMN c1cc(Nc2ccc3cn[nH]c3c2)no1 ZINC001174499768 976760381 /nfs/dbraw/zinc/76/03/81/976760381.db2.gz WOXCUAJDDDMMDW-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1ccc2c(c1)nc(=O)[nH]c2OC(C)C ZINC001229136404 976770881 /nfs/dbraw/zinc/77/08/81/976770881.db2.gz APDATGMSZMOVNG-UHFFFAOYSA-N 0 1 234.255 2.131 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001334886509 976773000 /nfs/dbraw/zinc/77/30/00/976773000.db2.gz BEQCRFKXKOAVEG-NEPJUHHUSA-N 0 1 246.358 2.384 20 0 BEADMN COc1nc(Nc2cc(C)cc(F)c2)cc(=O)[nH]1 ZINC001174528815 976810581 /nfs/dbraw/zinc/81/05/81/976810581.db2.gz WCPOBPPFOJYACY-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN Cc1cnccc1Nc1noc2cccnc21 ZINC001174536251 976818145 /nfs/dbraw/zinc/81/81/45/976818145.db2.gz QBKOYGKMFHADNR-UHFFFAOYSA-N 0 1 226.239 2.092 20 0 BEADMN Cc1c[nH]ccc1=Nc1cn(C2CCC2)cn1 ZINC001174538017 976824831 /nfs/dbraw/zinc/82/48/31/976824831.db2.gz WVMAISHKSSPZIZ-UHFFFAOYSA-N 0 1 228.299 2.477 20 0 BEADMN CC(=O)[C@H](C)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229409048 976861324 /nfs/dbraw/zinc/86/13/24/976861324.db2.gz ZJMPTTYUJVRRTM-VIFPVBQESA-N 0 1 246.266 2.000 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697809873 976862313 /nfs/dbraw/zinc/86/23/13/976862313.db2.gz GUEPXJGVRRMMCE-NJMOYASZSA-N 0 1 237.343 2.218 20 0 BEADMN CC(C)c1cccc(O[C@H]2CCN(C)C2)c(=O)c1 ZINC001229629538 976918790 /nfs/dbraw/zinc/91/87/90/976918790.db2.gz HFPCYNAGEOZNIZ-ZDUSSCGKSA-N 0 1 247.338 2.253 20 0 BEADMN O[C@H](CNCCF)c1ccc(Cl)c(F)c1 ZINC001335350928 976980096 /nfs/dbraw/zinc/98/00/96/976980096.db2.gz ITEFUYVLXFMSPG-SNVBAGLBSA-N 0 1 235.661 2.072 20 0 BEADMN Cc1ncn(-c2cncc(C(F)(F)F)c2)c1N ZINC001174740934 976981338 /nfs/dbraw/zinc/98/13/38/976981338.db2.gz CSYASWWEPRKAPB-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN O[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC12CC2 ZINC001335358444 976990919 /nfs/dbraw/zinc/99/09/19/976990919.db2.gz VHEVJDVBEFTABS-MGPQQGTHSA-N 0 1 247.313 2.138 20 0 BEADMN Cc1nnc(SC[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001335355564 976991088 /nfs/dbraw/zinc/99/10/88/976991088.db2.gz YRKRHEWNZRZCEO-IVZWLZJFSA-N 0 1 221.329 2.417 20 0 BEADMN O=c1[nH]cnc(O[C@H]2C=CCCC2)c1Cl ZINC001230014938 977062926 /nfs/dbraw/zinc/06/29/26/977062926.db2.gz RKFGVGLOTLYTEW-ZETCQYMHSA-N 0 1 226.663 2.323 20 0 BEADMN CC1(C)CC[C@H](CSCc2nnc[nH]2)OC1 ZINC001335480212 977083203 /nfs/dbraw/zinc/08/32/03/977083203.db2.gz ASXNFMVDRKXSAR-SECBINFHSA-N 0 1 241.360 2.243 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC000721535166 977088321 /nfs/dbraw/zinc/08/83/21/977088321.db2.gz YMZKYODBSUEFOT-RNFRBKRXSA-N 0 1 228.679 2.403 20 0 BEADMN COC1CCC(CNCC(F)F)CC1 ZINC001335533999 977123689 /nfs/dbraw/zinc/12/36/89/977123689.db2.gz QIFGSZYMZQRCHD-UHFFFAOYSA-N 0 1 207.264 2.046 20 0 BEADMN CCC[C@@H](Oc1nc(C(=O)OC)c[nH]1)C(C)C ZINC001230282401 977159104 /nfs/dbraw/zinc/15/91/04/977159104.db2.gz UQOBKZKBVWUQAL-SNVBAGLBSA-N 0 1 240.303 2.400 20 0 BEADMN Cc1ccc(Nc2cncn2C)cc1N ZINC001174932506 977169968 /nfs/dbraw/zinc/16/99/68/977169968.db2.gz FHTJAMJDSRYSRG-UHFFFAOYSA-N 0 1 202.261 2.054 20 0 BEADMN FC(F)(F)[C@@H]1CC[C@@H](CN2CC=CCC2)O1 ZINC001335629594 977173286 /nfs/dbraw/zinc/17/32/86/977173286.db2.gz XVCCEFRYFFQGAN-UWVGGRQHSA-N 0 1 235.249 2.358 20 0 BEADMN Cc1ncn(-c2cc(F)c(F)cc2F)c1N ZINC001175085903 977260716 /nfs/dbraw/zinc/26/07/16/977260716.db2.gz XTDFGCFOVAYPDA-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN COc1ccc(F)c(Nc2cncn2C)c1F ZINC001175117465 977260877 /nfs/dbraw/zinc/26/08/77/977260877.db2.gz HFOPXTUEZNORKH-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN O=C(Cc1cccc(O)c1)NOc1ccccc1 ZINC000773463025 977276237 /nfs/dbraw/zinc/27/62/37/977276237.db2.gz YVFPAPSQCUKUJY-UHFFFAOYSA-N 0 1 243.262 2.045 20 0 BEADMN Nc1cncn1-c1ccc(Cl)c(F)c1 ZINC001175205882 977307346 /nfs/dbraw/zinc/30/73/46/977307346.db2.gz MAYDCRHWCWEVOK-UHFFFAOYSA-N 0 1 211.627 2.247 20 0 BEADMN CSc1cccc(-n2cncc2N)c1 ZINC001175289053 977356314 /nfs/dbraw/zinc/35/63/14/977356314.db2.gz MDMRAJVBFHTDSD-UHFFFAOYSA-N 0 1 205.286 2.176 20 0 BEADMN Oc1ccc(F)c(Nc2ncco2)c1F ZINC001175260784 977357557 /nfs/dbraw/zinc/35/75/57/977357557.db2.gz AOJAVBIQOFKQMB-UHFFFAOYSA-N 0 1 212.155 2.402 20 0 BEADMN CC(C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230886448 977358901 /nfs/dbraw/zinc/35/89/01/977358901.db2.gz CWLIQHWPZWEZBA-UHFFFAOYSA-N 0 1 222.219 2.262 20 0 BEADMN c1nnc2c[nH][nH+]c(OC3CCCCCC3)c1-2 ZINC001230899909 977368338 /nfs/dbraw/zinc/36/83/38/977368338.db2.gz CERGBFLFNQBJPP-UHFFFAOYSA-N 0 1 232.287 2.455 20 0 BEADMN Cc1nnsc1[C@H](C)N(C)CCCCCO ZINC001335965391 977387836 /nfs/dbraw/zinc/38/78/36/977387836.db2.gz FFWKWQKYNVZRRY-JTQLQIEISA-N 0 1 243.376 2.002 20 0 BEADMN Fc1cc(O[C@@H]2CCCOC2)cc2[nH]ncc21 ZINC001230930859 977387807 /nfs/dbraw/zinc/38/78/07/977387807.db2.gz JJGBHPMYTJUGSH-MRVPVSSYSA-N 0 1 236.246 2.260 20 0 BEADMN CCC(=O)[C@@H](CC)Oc1nc2[nH]ccc(C)c-2n1 ZINC001231063841 977454443 /nfs/dbraw/zinc/45/44/43/977454443.db2.gz SAYMSMSDRZICSP-SNVBAGLBSA-N 0 1 247.298 2.403 20 0 BEADMN CCc1cccc(Nc2cc(=O)[nH]c(OC)n2)c1 ZINC001175550588 977522429 /nfs/dbraw/zinc/52/24/29/977522429.db2.gz BDIVTTCJAIYMGL-UHFFFAOYSA-N 0 1 245.282 2.497 20 0 BEADMN COc1cc(N=CCC(C)(C)C)ncn1 ZINC001175568957 977551891 /nfs/dbraw/zinc/55/18/91/977551891.db2.gz BJLQZUVSEWCREA-AATRIKPKSA-N 0 1 207.277 2.457 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC1CCC1 ZINC001594213552 977556582 /nfs/dbraw/zinc/55/65/82/977556582.db2.gz HDCJXDXBGJEVGI-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN Cn1nc(C(C)(C)C)cc1NC1=CCCN(C)C1 ZINC001175575109 977568934 /nfs/dbraw/zinc/56/89/34/977568934.db2.gz KYMNUCGIEKAUIT-UHFFFAOYSA-N 0 1 248.374 2.349 20 0 BEADMN CN1CCC=C(Nc2ccc(Cl)nc2)C1 ZINC001175574337 977575069 /nfs/dbraw/zinc/57/50/69/977575069.db2.gz TUIDAKOLEDAIAO-UHFFFAOYSA-N 0 1 223.707 2.366 20 0 BEADMN Cc1ccc(C)c(NC2=CCCN(C)C2)n1 ZINC001175575413 977578470 /nfs/dbraw/zinc/57/84/70/977578470.db2.gz UIZNGLXYAFPHIY-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN CC(C)n1cnc(NC2=CCCN(C)C2)c1 ZINC001175577077 977587118 /nfs/dbraw/zinc/58/71/18/977587118.db2.gz PWQOJEXQBLOFPJ-UHFFFAOYSA-N 0 1 220.320 2.095 20 0 BEADMN CC(C)Cn1cnc(NC2=CCCN(C)C2)c1 ZINC001175576860 977587279 /nfs/dbraw/zinc/58/72/79/977587279.db2.gz MADDADBRYMMHJL-UHFFFAOYSA-N 0 1 234.347 2.170 20 0 BEADMN Cn1nc(C2CCC2)cc1NC1=CCCN(C)C1 ZINC001175577383 977587528 /nfs/dbraw/zinc/58/75/28/977587528.db2.gz RMDJGNWFHBBULA-UHFFFAOYSA-N 0 1 246.358 2.319 20 0 BEADMN COc1ccc(F)cc1NC1=CCCN(C)C1 ZINC001175579667 977595417 /nfs/dbraw/zinc/59/54/17/977595417.db2.gz PNCYBSKLKNSKMG-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN Cc1c(F)ccc(CN2CCN(C)CC2)c1F ZINC001231472507 977596077 /nfs/dbraw/zinc/59/60/77/977596077.db2.gz CTMPIUAMMJWDTG-UHFFFAOYSA-N 0 1 240.297 2.021 20 0 BEADMN CSc1ncc(Nc2nonc2C2CC2)cn1 ZINC001175644495 977615404 /nfs/dbraw/zinc/61/54/04/977615404.db2.gz FCPMBMXGZJAUIH-UHFFFAOYSA-N 0 1 249.299 2.203 20 0 BEADMN F[C@@H]1CN(Cc2c[nH]c3cnccc23)C[C@@H]2C[C@@H]21 ZINC001231515337 977622400 /nfs/dbraw/zinc/62/24/00/977622400.db2.gz HHDYIXHYGRHORZ-TVYUQYBPSA-N 0 1 245.301 2.353 20 0 BEADMN Cc1ncn(-c2ccc3ccncc3c2)c1N ZINC001175701576 977628121 /nfs/dbraw/zinc/62/81/21/977628121.db2.gz MOJINGRUEHTZGY-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1[nH]nc2cc(Nc3cn(C)cn3)ccc12 ZINC001175659072 977633583 /nfs/dbraw/zinc/63/35/83/977633583.db2.gz DYLAMKYPPSIXFV-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCOc1ccc(CN(C)C2CC2)cn1 ZINC001231650368 977646672 /nfs/dbraw/zinc/64/66/72/977646672.db2.gz YZUQMJMRXWBJRZ-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN COc1cc(F)ccc1CN(C)[C@H]1CCOC1 ZINC001231604316 977649497 /nfs/dbraw/zinc/64/94/97/977649497.db2.gz YUZKDQKQYNUNOX-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CCc1ccc(CN2CC[C@@H](C(C)=O)C2)nc1 ZINC001231642561 977658949 /nfs/dbraw/zinc/65/89/49/977658949.db2.gz GIYOMJPRTMOWDE-CYBMUJFWSA-N 0 1 232.327 2.055 20 0 BEADMN COc1nc(N=C2CCCCC2)cc(=O)[nH]1 ZINC001175753387 977703061 /nfs/dbraw/zinc/70/30/61/977703061.db2.gz WURRZTKUPRDOJK-UHFFFAOYSA-N 0 1 221.260 2.061 20 0 BEADMN CC(C)Oc1ncccc1CN1CCCC1 ZINC001231755468 977722776 /nfs/dbraw/zinc/72/27/76/977722776.db2.gz XSBGMGKKGYUDKQ-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CCCN(CC)Cc1cc(F)cnc1OC ZINC001231741565 977723833 /nfs/dbraw/zinc/72/38/33/977723833.db2.gz XOYKKQRNDSTYGR-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN COc1cc(-n2cnc(C)c2N)ccc1Cl ZINC001175772514 977740780 /nfs/dbraw/zinc/74/07/80/977740780.db2.gz JUCKWPQMBBPFAV-UHFFFAOYSA-N 0 1 237.690 2.425 20 0 BEADMN C[C@H]1CCN1Cc1cccc2c1OCCO2 ZINC001231882022 977787346 /nfs/dbraw/zinc/78/73/46/977787346.db2.gz KWXVRXWCWSMNGX-JTQLQIEISA-N 0 1 219.284 2.052 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccc2c[nH]nc2c1 ZINC001231909783 977789014 /nfs/dbraw/zinc/78/90/14/977789014.db2.gz PNAKANWDFPSCKF-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN c1[nH]nc2cc(CN3CC4(CSC4)C3)ccc12 ZINC001231908821 977792390 /nfs/dbraw/zinc/79/23/90/977792390.db2.gz KSQSOFBNEVDHKF-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN Nc1nc2ccccc2n1-c1cscn1 ZINC001175937528 977795508 /nfs/dbraw/zinc/79/55/08/977795508.db2.gz KQAKRZKBXSFBHC-UHFFFAOYSA-N 0 1 216.269 2.064 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cnc1F ZINC001231925167 977800801 /nfs/dbraw/zinc/80/08/01/977800801.db2.gz MFFWSTHOOJIKNH-SRVKXCTJSA-N 0 1 238.281 2.319 20 0 BEADMN C[C@H]1CCC[C@H](Nc2nccnc2CN)CC1 ZINC001336589288 977802037 /nfs/dbraw/zinc/80/20/37/977802037.db2.gz AHIJKDMQNAHXAL-QWRGUYRKSA-N 0 1 234.347 2.316 20 0 BEADMN C[C@H]1CCC[C@@H](Nc2nccnc2CN)CC1 ZINC001336589291 977802220 /nfs/dbraw/zinc/80/22/20/977802220.db2.gz AHIJKDMQNAHXAL-WDEREUQCSA-N 0 1 234.347 2.316 20 0 BEADMN CCC1CCN(Cc2cnc(OC)cn2)CC1 ZINC001231938448 977807080 /nfs/dbraw/zinc/80/70/80/977807080.db2.gz DHNAQNBLHCELHA-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN Nc1nc2ccccc2n1-c1cnn(C2CC2)c1 ZINC001175958275 977823435 /nfs/dbraw/zinc/82/34/35/977823435.db2.gz LBGUWGKKNLWTHF-UHFFFAOYSA-N 0 1 239.282 2.139 20 0 BEADMN Cc1cccnc1Nc1ccc2nn[nH]c2c1 ZINC001175995784 977825176 /nfs/dbraw/zinc/82/51/76/977825176.db2.gz JMNWSBXQVOCLBQ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cccnc1Nc1ccc2n[nH]nc2c1 ZINC001175995784 977825178 /nfs/dbraw/zinc/82/51/78/977825178.db2.gz JMNWSBXQVOCLBQ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN O=C(Nc1ccc(O)cc1)c1cccc(F)c1O ZINC001594800464 977829938 /nfs/dbraw/zinc/82/99/38/977829938.db2.gz YBOHPVKLMPAMIC-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN CN(c1ccc2nn[nH]c2c1)c1ccccc1N ZINC001176001896 977858117 /nfs/dbraw/zinc/85/81/17/977858117.db2.gz DSOUJUZNCYQFFY-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN CN(c1ccc2n[nH]nc2c1)c1ccccc1N ZINC001176001896 977858121 /nfs/dbraw/zinc/85/81/21/977858121.db2.gz DSOUJUZNCYQFFY-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN c1coc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176001840 977858251 /nfs/dbraw/zinc/85/82/51/977858251.db2.gz JVJQJFDCPYOOTM-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN c1coc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176001840 977858255 /nfs/dbraw/zinc/85/82/55/977858255.db2.gz JVJQJFDCPYOOTM-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN CCC(C)(C)CCNc1nccnc1CN ZINC001336694138 977859795 /nfs/dbraw/zinc/85/97/95/977859795.db2.gz ZHEDMBMTNPVWJQ-UHFFFAOYSA-N 0 1 222.336 2.174 20 0 BEADMN Cc1ncn(-c2ccccc2OC(F)F)c1N ZINC001176011832 977860440 /nfs/dbraw/zinc/86/04/40/977860440.db2.gz KDKNPJBQVOYEKN-UHFFFAOYSA-N 0 1 239.225 2.364 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001594875989 977866229 /nfs/dbraw/zinc/86/62/29/977866229.db2.gz ZGMPIJIWRXHBRT-HOSYDEDBSA-N 0 1 231.311 2.310 20 0 BEADMN Nc1cc(C(F)(F)F)cnc1Nc1ncc[nH]1 ZINC001176081861 977875527 /nfs/dbraw/zinc/87/55/27/977875527.db2.gz HPBHSWQZKZRPHN-UHFFFAOYSA-N 0 1 243.192 2.149 20 0 BEADMN COc1nccc(Nc2ncc[nH]2)c1Cl ZINC001176080354 977875535 /nfs/dbraw/zinc/87/55/35/977875535.db2.gz UVRWGJOBKSJQDI-UHFFFAOYSA-N 0 1 224.651 2.210 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232066225 977876433 /nfs/dbraw/zinc/87/64/33/977876433.db2.gz QRXRAOPTVBOJQT-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN CCc1ccc(C)nc1Nc1ncc[nH]1 ZINC001176080355 977877260 /nfs/dbraw/zinc/87/72/60/977877260.db2.gz UWFRJYSDUKRZCP-UHFFFAOYSA-N 0 1 202.261 2.419 20 0 BEADMN CC1CN(Cc2cc3ncccc3[nH]2)C1 ZINC001232064431 977878259 /nfs/dbraw/zinc/87/82/59/977878259.db2.gz UMNPYOADPFKCRX-UHFFFAOYSA-N 0 1 201.273 2.015 20 0 BEADMN COC(=O)c1csc(C)c1Nc1ncc[nH]1 ZINC001176082131 977879604 /nfs/dbraw/zinc/87/96/04/977879604.db2.gz VKMBHCOISRVZEN-UHFFFAOYSA-N 0 1 237.284 2.310 20 0 BEADMN Nc1ccc(F)c(F)c1Nc1ncc[nH]1 ZINC001176082551 977880663 /nfs/dbraw/zinc/88/06/63/977880663.db2.gz BNXLOBLPCXDPLA-UHFFFAOYSA-N 0 1 210.187 2.014 20 0 BEADMN CO[C@H](C)C1CN(Cc2cc3ncccc3[nH]2)C1 ZINC001232068671 977882578 /nfs/dbraw/zinc/88/25/78/977882578.db2.gz SHZKFBQEYIGKCS-SNVBAGLBSA-N 0 1 245.326 2.030 20 0 BEADMN c1ccc([C@@]23C[C@@H]2CN(CC2=NOCC2)C3)cc1 ZINC001176089217 977891750 /nfs/dbraw/zinc/89/17/50/977891750.db2.gz YYPUKGVVHRTKAV-HIFRSBDPSA-N 0 1 242.322 2.036 20 0 BEADMN Nc1nccc(NCC[C@H]2CCC(F)(F)C2)n1 ZINC001336739089 977896217 /nfs/dbraw/zinc/89/62/17/977896217.db2.gz CCKPZIFSTNWTBK-MRVPVSSYSA-N 0 1 242.273 2.296 20 0 BEADMN CSCCN(C)Cc1cn(C)nc1C1CC1 ZINC001232171942 977901384 /nfs/dbraw/zinc/90/13/84/977901384.db2.gz RFFBLHBCTIDNNX-UHFFFAOYSA-N 0 1 239.388 2.092 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](O)[C@@H](C)C1 ZINC001232207472 977918388 /nfs/dbraw/zinc/91/83/88/977918388.db2.gz CHBUZFFOPBSVOA-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN c1c(N=C2CCOCC2)nc2ccccn12 ZINC001176141624 977920729 /nfs/dbraw/zinc/92/07/29/977920729.db2.gz BQGONVRLZPQVOQ-UHFFFAOYSA-N 0 1 215.256 2.050 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001595048396 977924585 /nfs/dbraw/zinc/92/45/85/977924585.db2.gz OTNTYBGXRCSEMU-GFCCVEGCSA-N 0 1 248.326 2.126 20 0 BEADMN CO[C@@H]1CCCN(Cc2ncsc2C)CC1 ZINC001232207326 977932512 /nfs/dbraw/zinc/93/25/12/977932512.db2.gz YSDLFDQPPAQGOO-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN Oc1ccc(CN2CC[C@@H](F)C2)c2cccnc12 ZINC001232271871 977987106 /nfs/dbraw/zinc/98/71/06/977987106.db2.gz GTTZGCZYBPTNQU-LLVKDONJSA-N 0 1 246.285 2.484 20 0 BEADMN CN(CCF)Cc1ccc(O)c2ncccc12 ZINC001232277501 977989495 /nfs/dbraw/zinc/98/94/95/977989495.db2.gz ZEPVJENUYJLCME-UHFFFAOYSA-N 0 1 234.274 2.342 20 0 BEADMN COCc1cccc(CN(C)CCSC)n1 ZINC001232260650 977990096 /nfs/dbraw/zinc/99/00/96/977990096.db2.gz PHDSEUTZJODXFB-UHFFFAOYSA-N 0 1 240.372 2.023 20 0 BEADMN Nc1nccc(NC[C@@H]2C[C@H]2C2CCCC2)n1 ZINC001336856160 978003614 /nfs/dbraw/zinc/00/36/14/978003614.db2.gz TWABEAZZEJQUKO-QWRGUYRKSA-N 0 1 232.331 2.297 20 0 BEADMN Nc1nccc(NC[C@H]2C[C@H]2C2CCCC2)n1 ZINC001336856159 978005885 /nfs/dbraw/zinc/00/58/85/978005885.db2.gz TWABEAZZEJQUKO-MNOVXSKESA-N 0 1 232.331 2.297 20 0 BEADMN COc1ccc(CN2CC3(CCC3)C2)c(C)n1 ZINC001232332220 978009033 /nfs/dbraw/zinc/00/90/33/978009033.db2.gz ONXALTCABQYXOG-UHFFFAOYSA-N 0 1 232.327 2.385 20 0 BEADMN COc1cc(Cl)cc(Nc2nnco2)c1 ZINC001176343901 978034543 /nfs/dbraw/zinc/03/45/43/978034543.db2.gz QWHWRXKBWNHUOJ-UHFFFAOYSA-N 0 1 225.635 2.475 20 0 BEADMN COc1cc(CN(C)C)c(OC)cc1Cl ZINC001232370923 978048043 /nfs/dbraw/zinc/04/80/43/978048043.db2.gz XBWYDULZIAHIIR-UHFFFAOYSA-N 0 1 229.707 2.419 20 0 BEADMN C[C@H](NCc1cccn1C1CC1)c1cn[nH]c1 ZINC001336908675 978048851 /nfs/dbraw/zinc/04/88/51/978048851.db2.gz XTFRWZFVCDJONV-JTQLQIEISA-N 0 1 230.315 2.397 20 0 BEADMN Cc1c(F)cc(CN2CCN(C)CC2)cc1F ZINC001232418776 978059665 /nfs/dbraw/zinc/05/96/65/978059665.db2.gz VFPKCXOFGSFUJJ-UHFFFAOYSA-N 0 1 240.297 2.021 20 0 BEADMN Fc1ccc2nc(CN3C[C@H]4CC[C@@H]3C4)cn2c1 ZINC001232417171 978059685 /nfs/dbraw/zinc/05/96/85/978059685.db2.gz NIVMVXTUZWCFSA-GXFFZTMASA-N 0 1 245.301 2.458 20 0 BEADMN Cn1ccnc1Nc1ccc(O)cc1F ZINC001176408928 978077223 /nfs/dbraw/zinc/07/72/23/978077223.db2.gz UAOADMAEQMPMJF-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN COc1ccccc1CN(C)Cc1cnc(C)[nH]1 ZINC001232462050 978092515 /nfs/dbraw/zinc/09/25/15/978092515.db2.gz IMKUVKKFKRXYEA-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cc1ncc(CN2CCCC[C@H](F)C2)[nH]1 ZINC001232461220 978097491 /nfs/dbraw/zinc/09/74/91/978097491.db2.gz YZRRYHIZHZGZBR-JTQLQIEISA-N 0 1 211.284 2.042 20 0 BEADMN Cc1ncc(CN(C)Cc2ccccc2F)[nH]1 ZINC001232462806 978098250 /nfs/dbraw/zinc/09/82/50/978098250.db2.gz UDKXWBYLYCFODH-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1ncc(CN2Cc3ccc(F)cc3C2)[nH]1 ZINC001232463243 978106410 /nfs/dbraw/zinc/10/64/10/978106410.db2.gz FPYIUFIQBBHTEL-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@H](F)[C@H](O)C1 ZINC001232482257 978133341 /nfs/dbraw/zinc/13/33/41/978133341.db2.gz OYMLHLKVFCAGIK-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cccc(F)c1C[N@H+]1CCCOCC1 ZINC001232482343 978133626 /nfs/dbraw/zinc/13/36/26/978133626.db2.gz QRJDKXQDOPGTQR-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN Cc1cccc(F)c1CN1CCCOCC1 ZINC001232482343 978133634 /nfs/dbraw/zinc/13/36/34/978133634.db2.gz QRJDKXQDOPGTQR-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@]12CCOC2 ZINC001232488101 978139530 /nfs/dbraw/zinc/13/95/30/978139530.db2.gz ZNXPWLMMBZGDNV-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cccc(F)c1CN1CCN(C)[C@H](C)C1 ZINC001232485314 978140992 /nfs/dbraw/zinc/14/09/92/978140992.db2.gz UFXZRIJVKPJALM-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN COc1cncc(OC)c1CN1CCC2(CC2)C1 ZINC001232503126 978157852 /nfs/dbraw/zinc/15/78/52/978157852.db2.gz YTVBSTZQGUZWOR-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722650287 978158330 /nfs/dbraw/zinc/15/83/30/978158330.db2.gz VGQOHKNVQBRHTI-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN Nc1ccnc(CNC(=O)CCC2CCCC2)c1 ZINC001337096133 978164569 /nfs/dbraw/zinc/16/45/69/978164569.db2.gz YOTLAFNRCYHMSI-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN c1cc(Nc2nnco2)n(Cc2ccccc2)n1 ZINC001176702167 978169964 /nfs/dbraw/zinc/16/99/64/978169964.db2.gz XJYPZRHKYHKMHK-UHFFFAOYSA-N 0 1 241.254 2.058 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000723125122 978172325 /nfs/dbraw/zinc/17/23/25/978172325.db2.gz FTJZJEOPMCUPNV-WHOHXGKFSA-N 0 1 225.332 2.218 20 0 BEADMN CO[C@H]1CCN(Cc2cc3ccoc3cn2)C1 ZINC001232549391 978175373 /nfs/dbraw/zinc/17/53/73/978175373.db2.gz HFMSAFBBSMDILX-LBPRGKRZSA-N 0 1 232.283 2.049 20 0 BEADMN C[C@@H]1CC[C@@H](O)CN1Cc1cc2ccoc2cn1 ZINC001232549456 978176119 /nfs/dbraw/zinc/17/61/19/978176119.db2.gz HSDZHPQSYWHWGH-ZWNOBZJWSA-N 0 1 246.310 2.173 20 0 BEADMN OC[C@H]1CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232552079 978176391 /nfs/dbraw/zinc/17/63/91/978176391.db2.gz UAQWSGVJXCBCJN-NSHDSACASA-N 0 1 246.310 2.032 20 0 BEADMN OCC1CCN(Cc2cc3ccoc3cn2)CC1 ZINC001232552202 978177293 /nfs/dbraw/zinc/17/72/93/978177293.db2.gz OKLRYDNKVSTQDF-UHFFFAOYSA-N 0 1 246.310 2.032 20 0 BEADMN C[C@]1(CO)CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550538 978178520 /nfs/dbraw/zinc/17/85/20/978178520.db2.gz YCBCCSJQPJBZHM-AWEZNQCLSA-N 0 1 246.310 2.032 20 0 BEADMN C[C@]1(CO)CCN(Cc2cc3ccoc3cn2)C1 ZINC001232550538 978178528 /nfs/dbraw/zinc/17/85/28/978178528.db2.gz YCBCCSJQPJBZHM-AWEZNQCLSA-N 0 1 246.310 2.032 20 0 BEADMN CN(Cc1cc2ccoc2cn1)[C@@H]1CCCOC1 ZINC001232553943 978179982 /nfs/dbraw/zinc/17/99/82/978179982.db2.gz AEINZLSFZFOIMQ-CYBMUJFWSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2nc3ccccc3o2)C1 ZINC001232555176 978180251 /nfs/dbraw/zinc/18/02/51/978180251.db2.gz PECIQZDRHFNHDM-QWRGUYRKSA-N 0 1 246.310 2.031 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)CC1CCC1 ZINC001176771221 978183340 /nfs/dbraw/zinc/18/33/40/978183340.db2.gz ILUJAKQJAIDSGL-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN CCOc1ccnc(C[N@@H+](C)C2CC2)c1 ZINC001232579128 978185248 /nfs/dbraw/zinc/18/52/48/978185248.db2.gz KMBNEKZQHYABQD-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CCOc1ccnc(CN(C)C2CC2)c1 ZINC001232579128 978185252 /nfs/dbraw/zinc/18/52/52/978185252.db2.gz KMBNEKZQHYABQD-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CCOc1ccnc(CN2CCCC2)c1 ZINC001232578762 978186384 /nfs/dbraw/zinc/18/63/84/978186384.db2.gz GRCXLTSSFBDBPX-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN CNc1ccccc1CN1CCC[C@H]1C(C)=O ZINC001232676046 978244676 /nfs/dbraw/zinc/24/46/76/978244676.db2.gz SVOGSTCMMMQDEL-AWEZNQCLSA-N 0 1 232.327 2.282 20 0 BEADMN CNc1ccccc1CN1C[C@@H](C)OC[C@@H]1C ZINC001232676461 978245366 /nfs/dbraw/zinc/24/53/66/978245366.db2.gz ZFCLFLHJPYUFPL-NWDGAFQWSA-N 0 1 234.343 2.338 20 0 BEADMN c1cc(CN2CCCC[C@]23CCCOC3)on1 ZINC001177015704 978271953 /nfs/dbraw/zinc/27/19/53/978271953.db2.gz NBNDZCMRPQSWIQ-CYBMUJFWSA-N 0 1 236.315 2.210 20 0 BEADMN Cc1cc(CN2CCC[C@H]2CO)c(F)cc1F ZINC001232783936 978276303 /nfs/dbraw/zinc/27/63/03/978276303.db2.gz FDLLCJKZMRBETG-NSHDSACASA-N 0 1 241.281 2.230 20 0 BEADMN CC(=O)c1ccc(NC[C@@H]2CCCCN2C)nc1 ZINC001337305458 978277827 /nfs/dbraw/zinc/27/78/27/978277827.db2.gz GFSGIXTVPNFSSN-ZDUSSCGKSA-N 0 1 247.342 2.180 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ccc3ncoc3c2)C1 ZINC001232943336 978357246 /nfs/dbraw/zinc/35/72/46/978357246.db2.gz BDRFDBGSSYUYNA-JTQLQIEISA-N 0 1 246.310 2.295 20 0 BEADMN [O-]c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc(F)c1F ZINC001232970104 978376272 /nfs/dbraw/zinc/37/62/72/978376272.db2.gz HIZGEGPTQZZMBH-DTORHVGOSA-N 0 1 225.238 2.122 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc(F)c1F ZINC001597809098 978377669 /nfs/dbraw/zinc/37/76/69/978377669.db2.gz IMPGQBFCPSETJM-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1(C)CC1 ZINC001337521249 978386633 /nfs/dbraw/zinc/38/66/33/978386633.db2.gz FDZABVACQWWCSY-UWVGGRQHSA-N 0 1 247.342 2.134 20 0 BEADMN CC(C)N(CCCO)Cc1cccc(O)c1F ZINC001233053257 978445454 /nfs/dbraw/zinc/44/54/54/978445454.db2.gz MCANIQNVQHAZRE-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOCC3)cnc1C ZINC001233162595 978479732 /nfs/dbraw/zinc/47/97/32/978479732.db2.gz DZYHYADPHNSKBH-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CCOC(=O)[C@@H](C)c1cc(O)c(F)c(F)c1F ZINC001249857234 978508665 /nfs/dbraw/zinc/50/86/65/978508665.db2.gz UMIDUKJLSFSPPJ-YFKPBYRVSA-N 0 1 248.200 2.476 20 0 BEADMN F[C@H]1CN(Cc2cnn3ccccc23)C[C@@H]2C[C@@H]21 ZINC001233236517 978510881 /nfs/dbraw/zinc/51/08/81/978510881.db2.gz BXOXQCYRKDGSCK-DRZSPHRISA-N 0 1 245.301 2.124 20 0 BEADMN Cn1cc(C[N@@H+](C)Cc2ccc([S-])cc2)cn1 ZINC001233258466 978516961 /nfs/dbraw/zinc/51/69/61/978516961.db2.gz GDIXCZYCOAYJPH-UHFFFAOYSA-N 0 1 247.367 2.341 20 0 BEADMN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([S-])cc1 ZINC001233261696 978519427 /nfs/dbraw/zinc/51/94/27/978519427.db2.gz ZVIBRYBJXFNRKT-BETUJISGSA-N 0 1 248.395 2.254 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([S-])cc1 ZINC001233261696 978519430 /nfs/dbraw/zinc/51/94/30/978519430.db2.gz ZVIBRYBJXFNRKT-BETUJISGSA-N 0 1 248.395 2.254 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([S-])cc1 ZINC001233261696 978519433 /nfs/dbraw/zinc/51/94/33/978519433.db2.gz ZVIBRYBJXFNRKT-BETUJISGSA-N 0 1 248.395 2.254 20 0 BEADMN COC(C[N@@H+](C)Cc1ccc([S-])cc1)OC ZINC001233261851 978519471 /nfs/dbraw/zinc/51/94/71/978519471.db2.gz GXEZTDGLANYTLZ-UHFFFAOYSA-N 0 1 241.356 2.026 20 0 BEADMN CC(C)C1=CC[C@H](N2CCOCC2)CC1 ZINC001249860896 978523177 /nfs/dbraw/zinc/52/31/77/978523177.db2.gz AQAWGQBNCFZPMS-ZDUSSCGKSA-N 0 1 209.333 2.454 20 0 BEADMN COC[C@@H]1CCCN1Cc1cc(C)ns1 ZINC001233309991 978535132 /nfs/dbraw/zinc/53/51/32/978535132.db2.gz LYRISTVISFEIOS-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN O[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001204214170 978539059 /nfs/dbraw/zinc/53/90/59/978539059.db2.gz KRZWXBOWLDRNQK-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@H]1CCCCN(Cc2cc(F)ccc2F)C1 ZINC001204214170 978539067 /nfs/dbraw/zinc/53/90/67/978539067.db2.gz KRZWXBOWLDRNQK-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN NCc1nccnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001337875247 978543816 /nfs/dbraw/zinc/54/38/16/978543816.db2.gz IWVIHULRHJEZCP-SDDRHHMPSA-N 0 1 246.358 2.316 20 0 BEADMN CCOC(=O)c1ccnc(CN(CC)C2CC2)c1 ZINC001233323180 978562329 /nfs/dbraw/zinc/56/23/29/978562329.db2.gz JIMMNADQUUUNSW-UHFFFAOYSA-N 0 1 248.326 2.243 20 0 BEADMN CC1(CO)CN(Cc2cc3cccnc3s2)C1 ZINC001233345809 978565702 /nfs/dbraw/zinc/56/57/02/978565702.db2.gz HSBUKVBYEHFZIE-UHFFFAOYSA-N 0 1 248.351 2.111 20 0 BEADMN Cc1ncc(CN2CCC3(CCCO3)CC2)o1 ZINC001233367297 978580247 /nfs/dbraw/zinc/58/02/47/978580247.db2.gz XZUMWBJPDMNSBX-UHFFFAOYSA-N 0 1 236.315 2.128 20 0 BEADMN O=c1cc(Cl)c(OC2CCCC2)n[nH]1 ZINC001233586466 978632800 /nfs/dbraw/zinc/63/28/00/978632800.db2.gz FYKDQGSPDMGHED-UHFFFAOYSA-N 0 1 214.652 2.157 20 0 BEADMN CCN(CCOC)Cc1cc(F)c(F)cc1N ZINC001233378112 978592815 /nfs/dbraw/zinc/59/28/15/978592815.db2.gz GEQFVNMGIIIZDJ-UHFFFAOYSA-N 0 1 244.285 2.015 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCCN1C ZINC001178690066 978611407 /nfs/dbraw/zinc/61/14/07/978611407.db2.gz JYXQDWXMNYDJFZ-FRRDWIJNSA-N 0 1 238.375 2.260 20 0 BEADMN CCCN1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233610764 978649017 /nfs/dbraw/zinc/64/90/17/978649017.db2.gz KWJFRZRGYGJDCQ-LLVKDONJSA-N 0 1 242.338 2.193 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001338328642 978659890 /nfs/dbraw/zinc/65/98/90/978659890.db2.gz RJFQVIWQBVDTBF-RKDXNWHRSA-N 0 1 246.314 2.122 20 0 BEADMN Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)[O-])C2)c1 ZINC001600171194 978670929 /nfs/dbraw/zinc/67/09/29/978670929.db2.gz RQNHKYFSOQOUGS-LBPRGKRZSA-N 0 1 233.311 2.177 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c(C)o1 ZINC001600192972 978673679 /nfs/dbraw/zinc/67/36/79/978673679.db2.gz HGIHTRYUUMAIJE-JOYOIKCWSA-N 0 1 237.299 2.191 20 0 BEADMN Cc1cc(C[N@@H+]2CC=CCC2)ccc1C(=O)[O-] ZINC001600192174 978674801 /nfs/dbraw/zinc/67/48/01/978674801.db2.gz MTYMEAAEJRPETR-UHFFFAOYSA-N 0 1 231.295 2.455 20 0 BEADMN Cc1cc(C[N@H+]2CCC2(C)C)[nH]c1C(=O)[O-] ZINC001600193666 978674810 /nfs/dbraw/zinc/67/48/10/978674810.db2.gz WMCZMRHLRLKKNG-UHFFFAOYSA-N 0 1 222.288 2.006 20 0 BEADMN Cc1cc(C[N@@H+]2CCCC[C@H]2C)[nH]c1C(=O)[O-] ZINC001600196153 978678117 /nfs/dbraw/zinc/67/81/17/978678117.db2.gz TUNZCDDLQJRSKR-SNVBAGLBSA-N 0 1 236.315 2.396 20 0 BEADMN Cc1cc(N[C@H](C(=O)[O-])C(C)(C)C)nc(C)[nH+]1 ZINC001600285012 978686171 /nfs/dbraw/zinc/68/61/71/978686171.db2.gz RLPPGHUCURMLFK-SNVBAGLBSA-N 0 1 237.303 2.005 20 0 BEADMN Cc1cccc([C@H]2CC[N@H+]([C@H](C)C(=O)[O-])C2)c1 ZINC001600524293 978699546 /nfs/dbraw/zinc/69/95/46/978699546.db2.gz FSGSATUTPIMUED-YPMHNXCESA-N 0 1 233.311 2.257 20 0 BEADMN O=C(c1ccn[nH]1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001179504155 978711591 /nfs/dbraw/zinc/71/15/91/978711591.db2.gz UBXNOPTVWMQKQF-AAEUAGOBSA-N 0 1 245.326 2.060 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2cccc(O)c2F)CC1 ZINC001233868965 978718089 /nfs/dbraw/zinc/71/80/89/978718089.db2.gz YZEWUBUJFXGGOR-SNVBAGLBSA-N 0 1 239.290 2.394 20 0 BEADMN Cc1[nH]nc(CNc2cnc3[nH]ccc3c2)c1C ZINC001179589200 978728520 /nfs/dbraw/zinc/72/85/20/978728520.db2.gz XYSDTUBJDVSGNY-UHFFFAOYSA-N 0 1 241.298 2.467 20 0 BEADMN COCCc1cccc(CN(C)C)c1F ZINC001249940453 978739084 /nfs/dbraw/zinc/73/90/84/978739084.db2.gz UQTOHEHYZXQCGC-UHFFFAOYSA-N 0 1 211.280 2.076 20 0 BEADMN O=c1[nH]cc(CN2CC=CC2)c2ccccc12 ZINC001233965019 978742155 /nfs/dbraw/zinc/74/21/55/978742155.db2.gz URLGZGNRZYXBAO-UHFFFAOYSA-N 0 1 226.279 2.312 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC001601637830 978822127 /nfs/dbraw/zinc/82/21/27/978822127.db2.gz FUNCNCPFMKCIHN-QWHCGFSZSA-N 0 1 231.295 2.297 20 0 BEADMN CCOC(=O)CN(CC)CC1(C(C)C)CC1 ZINC001180153052 978837900 /nfs/dbraw/zinc/83/79/00/978837900.db2.gz DLDDQZZYOJXKSD-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc(CO)cs1 ZINC001180203174 978840021 /nfs/dbraw/zinc/84/00/21/978840021.db2.gz LHSLGQPGIJQJBR-MWLCHTKSSA-N 0 1 240.372 2.256 20 0 BEADMN C[C@H](O)CCCC(=O)Oc1cc2ccc[nH]c-2n1 ZINC001234630808 978878554 /nfs/dbraw/zinc/87/85/54/978878554.db2.gz VNSUEFLJSFCBDC-VIFPVBQESA-N 0 1 248.282 2.019 20 0 BEADMN CCCc1ccc(N2CCN(C)CC2)cc1OC ZINC001249968174 978879716 /nfs/dbraw/zinc/87/97/16/978879716.db2.gz FCDSOUMSGBOIHO-UHFFFAOYSA-N 0 1 248.370 2.400 20 0 BEADMN C[C@H]1CC[C@@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234689479 978897115 /nfs/dbraw/zinc/89/71/15/978897115.db2.gz HERUWVAOSRTYSO-NKWVEPMBSA-N 0 1 236.250 2.059 20 0 BEADMN CCCC[C@@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234688244 978897686 /nfs/dbraw/zinc/89/76/86/978897686.db2.gz YRRSCNVUIJKICK-SSDOTTSWSA-N 0 1 238.266 2.450 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H]2C)[nH]1 ZINC001339780806 978912067 /nfs/dbraw/zinc/91/20/67/978912067.db2.gz WFVPVKWHSWJPDY-VHSXEESVSA-N 0 1 235.331 2.404 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](C)N2CCCC2)cc1O ZINC001180583113 978919140 /nfs/dbraw/zinc/91/91/40/978919140.db2.gz MEFAEWSQOYLHCA-LLVKDONJSA-N 0 1 248.326 2.123 20 0 BEADMN Cc1c(F)ccc(O[C@@H]2CCN(C)C2)c1F ZINC001234930891 978931464 /nfs/dbraw/zinc/93/14/64/978931464.db2.gz NURDNJQAHRZDGC-SECBINFHSA-N 0 1 227.254 2.356 20 0 BEADMN CC=CC=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001180753356 978937143 /nfs/dbraw/zinc/93/71/43/978937143.db2.gz LOBYLULEOLNMDG-ICWBMWKASA-N 0 1 242.282 2.337 20 0 BEADMN CC(C)CC[N@@H+](CN1C(=O)CC1(C)C)C1CC1 ZINC001339941384 978946488 /nfs/dbraw/zinc/94/64/88/978946488.db2.gz DMVBHHAPLAJMDT-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN CC(C)CCN(CN1C(=O)CC1(C)C)C1CC1 ZINC001339941384 978946491 /nfs/dbraw/zinc/94/64/91/978946491.db2.gz DMVBHHAPLAJMDT-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN CN(Cc1ncc(F)cn1)C1CCCCC1 ZINC001235002083 978948000 /nfs/dbraw/zinc/94/80/00/978948000.db2.gz XWGYVYXYSGKTSV-UHFFFAOYSA-N 0 1 223.295 2.380 20 0 BEADMN COC(=O)c1ccnc(CN2CCC[C@H](C)C2)c1 ZINC001235199509 978997450 /nfs/dbraw/zinc/99/74/50/978997450.db2.gz QAZIZNHKFBSRNN-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN CCc1cccc(CN2CCC[C@]3(CCO3)C2)n1 ZINC001235262111 979013046 /nfs/dbraw/zinc/01/30/46/979013046.db2.gz WNNRLLMUHJTKCE-HNNXBMFYSA-N 0 1 246.354 2.399 20 0 BEADMN CCc1cccc(CN2CCC[C@@H](C(C)=O)C2)n1 ZINC001235260657 979015548 /nfs/dbraw/zinc/01/55/48/979015548.db2.gz MMXIJUIPURUSBH-CYBMUJFWSA-N 0 1 246.354 2.445 20 0 BEADMN Cc1cnc(F)c(CN(C)C2CCOCC2)c1 ZINC001235330871 979021112 /nfs/dbraw/zinc/02/11/12/979021112.db2.gz CUAUUAMSXGOIPJ-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN Nc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)cc[nH+]1 ZINC001235459516 979048170 /nfs/dbraw/zinc/04/81/70/979048170.db2.gz UICPOGZQGVZLHR-ZZXKWVIFSA-N 0 1 240.262 2.429 20 0 BEADMN COC(C)(C)CCSc1nnc(C)[nH]1 ZINC001340679036 979063133 /nfs/dbraw/zinc/06/31/33/979063133.db2.gz IKPNLQDYXZLOHQ-UHFFFAOYSA-N 0 1 215.322 2.020 20 0 BEADMN O=C([O-])c1ccc(C[NH2+]Cc2ccco2)c(F)c1 ZINC001602347911 979107954 /nfs/dbraw/zinc/10/79/54/979107954.db2.gz JKWWLVPPKNEVDW-UHFFFAOYSA-N 0 1 249.241 2.407 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001181471342 979116754 /nfs/dbraw/zinc/11/67/54/979116754.db2.gz LSIRTFSIOPVMQH-ZCFIWIBFSA-N 0 1 243.694 2.066 20 0 BEADMN CC1(F)CN(Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235683881 979119646 /nfs/dbraw/zinc/11/96/46/979119646.db2.gz PXRVWCVUCQTLJY-UHFFFAOYSA-N 0 1 237.253 2.246 20 0 BEADMN C[C@H]1CCN(CCCC(C)(F)F)[C@@H](C(N)=O)C1 ZINC001341174644 979258460 /nfs/dbraw/zinc/25/84/60/979258460.db2.gz MWXJZPQGTLCIND-VHSXEESVSA-N 0 1 248.317 2.008 20 0 BEADMN Oc1c(F)cc(F)c(-c2ccnc(F)n2)c1F ZINC001235990629 979273531 /nfs/dbraw/zinc/27/35/31/979273531.db2.gz PGYOBVVRMQJWJL-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Nc1cnccc1-c1c(F)cc(F)c(O)c1F ZINC001235993095 979283993 /nfs/dbraw/zinc/28/39/93/979283993.db2.gz CCQGPRFOHPMOKB-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN CC[C@]1(C)CN(C/C=C(/C)COC)CCO1 ZINC001341281773 979310172 /nfs/dbraw/zinc/31/01/72/979310172.db2.gz RHJMBININMXXKG-MVXISAMASA-N 0 1 227.348 2.080 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC001602956836 979342265 /nfs/dbraw/zinc/34/22/65/979342265.db2.gz AEGXALOZCJRQHF-GWZUUTHWSA-N 0 1 245.269 2.139 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCc2c(F)cccc2C1 ZINC001602958801 979342743 /nfs/dbraw/zinc/34/27/43/979342743.db2.gz YXIPQKKIFGCBQS-JXMROGBWSA-N 0 1 249.285 2.215 20 0 BEADMN COc1cccc2c1CN(CCCCCO)C2 ZINC001236081142 979358945 /nfs/dbraw/zinc/35/89/45/979358945.db2.gz YXQHWIMSOHUFIS-UHFFFAOYSA-N 0 1 235.327 2.173 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CC23CCCCC3)n[nH]1 ZINC001181909251 979365109 /nfs/dbraw/zinc/36/51/09/979365109.db2.gz UFNQAMBZGWZSBF-GFCCVEGCSA-N 0 1 247.342 2.305 20 0 BEADMN C(c1noc2c1COCC2)N1CCCC12CCC2 ZINC001341394257 979371129 /nfs/dbraw/zinc/37/11/29/979371129.db2.gz XXTHWQFDMWQHNX-UHFFFAOYSA-N 0 1 248.326 2.266 20 0 BEADMN CC(C)c1cnc(C[N@H+](C)CCC(=O)[O-])s1 ZINC001603106032 979375026 /nfs/dbraw/zinc/37/50/26/979375026.db2.gz RFHMQQWRRAMMBD-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CC(C)c1cnc(C[N@@H+](C)CCC(=O)[O-])s1 ZINC001603106032 979375033 /nfs/dbraw/zinc/37/50/33/979375033.db2.gz RFHMQQWRRAMMBD-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN C[N@@H+](CCCCO)CCC(=O)c1cccs1 ZINC001236102884 979387833 /nfs/dbraw/zinc/38/78/33/979387833.db2.gz SHTIQSFWTSLLPJ-UHFFFAOYSA-N 0 1 241.356 2.025 20 0 BEADMN Nc1ccnc(-c2cccnc2N2CCCC2)c1 ZINC001236122172 979396541 /nfs/dbraw/zinc/39/65/41/979396541.db2.gz ZVOHQJNBWDFLLP-UHFFFAOYSA-N 0 1 240.310 2.326 20 0 BEADMN Cn1cccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001203264011 979460289 /nfs/dbraw/zinc/46/02/89/979460289.db2.gz NEURTJHHJNREKX-VIFPVBQESA-N 0 1 232.249 2.409 20 0 BEADMN Cc1ccc(OC(C)C)c(CN(C)CCO)c1 ZINC001236255507 979460429 /nfs/dbraw/zinc/46/04/29/979460429.db2.gz FKOBYUGBNJZZHM-UHFFFAOYSA-N 0 1 237.343 2.206 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC001603500259 979465060 /nfs/dbraw/zinc/46/50/60/979465060.db2.gz COAGIEDZVZKMQJ-LBPRGKRZSA-N 0 1 246.310 2.463 20 0 BEADMN CCCOc1cc(F)ccc1CN(C)CCO ZINC001236255525 979478704 /nfs/dbraw/zinc/47/87/04/979478704.db2.gz GUJBHUOYBSNDPA-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CN1CCN(c2cc(C3CCCC3)ccn2)CC1 ZINC001250041668 979481067 /nfs/dbraw/zinc/48/10/67/979481067.db2.gz VLBVDSJYEYQYDR-UHFFFAOYSA-N 0 1 245.370 2.491 20 0 BEADMN CCCc1cc(C(=O)N2CC3CCC2CC3)n[nH]1 ZINC001341675076 979521498 /nfs/dbraw/zinc/52/14/98/979521498.db2.gz MCAGGXZKPWCLKC-UHFFFAOYSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@H]([C@@H]1C[C@@H]1C(=O)[O-])n1c[nH+]c2c1CCCC2 ZINC001604050793 979564988 /nfs/dbraw/zinc/56/49/88/979564988.db2.gz SBRWBZSDKVIWIS-UTLUCORTSA-N 0 1 234.299 2.044 20 0 BEADMN CC=C(NC=[NH2+])c1c(F)ccc(C)c1[O-] ZINC001236390869 979574698 /nfs/dbraw/zinc/57/46/98/979574698.db2.gz GRRPIGCZARYOQT-OQFOIZHKSA-N 0 1 208.236 2.397 20 0 BEADMN Cc1ccc(F)c(-c2ncnc3[nH]cnc32)c1O ZINC001236390220 979576034 /nfs/dbraw/zinc/57/60/34/979576034.db2.gz IDGAFHOJSKTPPK-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CNc1ccccc1C[N@@H+](CC(=O)[O-])C(C)C ZINC001604253723 979608217 /nfs/dbraw/zinc/60/82/17/979608217.db2.gz OXCLRTUABVURDW-UHFFFAOYSA-N 0 1 236.315 2.023 20 0 BEADMN Cc1cc(F)ccc1[C@@H](C)NCc1nnc[nH]1 ZINC001342014050 979622902 /nfs/dbraw/zinc/62/29/02/979622902.db2.gz KKLJDHODKXKFOM-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN CC(C)[C@@H](C)NC(=O)Cc1ccc2nc[nH]c2c1 ZINC001182840558 979658833 /nfs/dbraw/zinc/65/88/33/979658833.db2.gz JBYLKWGDFXRTIL-SNVBAGLBSA-N 0 1 245.326 2.266 20 0 BEADMN Cc1nc(C)c(CN2CCC[C@@]3(CCO3)C2)o1 ZINC001236595329 979671992 /nfs/dbraw/zinc/67/19/92/979671992.db2.gz QIYSPTHTVJTTJP-CYBMUJFWSA-N 0 1 236.315 2.046 20 0 BEADMN CN(C)Cc1cc(F)cc2c1OCCC2 ZINC001236618822 979681053 /nfs/dbraw/zinc/68/10/53/979681053.db2.gz ZKNZHHTZSHBAIN-UHFFFAOYSA-N 0 1 209.264 2.212 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)CC(F)F)ccc12 ZINC001182966610 979685503 /nfs/dbraw/zinc/68/55/03/979685503.db2.gz RXGNLZGMZMMSEI-UHFFFAOYSA-N 0 1 239.225 2.465 20 0 BEADMN COC(=O)C1CN(Cc2cccc3ccoc32)C1 ZINC001236729254 979710985 /nfs/dbraw/zinc/71/09/85/979710985.db2.gz HWIKUSBOKGALNS-UHFFFAOYSA-N 0 1 245.278 2.038 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1cccc2occc21 ZINC001236735186 979716812 /nfs/dbraw/zinc/71/68/12/979716812.db2.gz NQAMRFQJSWZTIB-RYUDHWBXSA-N 0 1 249.285 2.338 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001604895390 979753658 /nfs/dbraw/zinc/75/36/58/979753658.db2.gz CTGVMZWMQQLGRM-UHFFFAOYSA-N 0 1 224.304 2.333 20 0 BEADMN CC[C@H]([NH3+])CN(C)Cc1ccc(Cl)c([O-])c1 ZINC001236868482 979769683 /nfs/dbraw/zinc/76/96/83/979769683.db2.gz DQBBQKZLPYFVLA-JTQLQIEISA-N 0 1 242.750 2.215 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC001604925405 979773509 /nfs/dbraw/zinc/77/35/09/979773509.db2.gz UHYRWOXTFPVALZ-CIUDSAMLSA-N 0 1 235.274 2.073 20 0 BEADMN Cn1cccc1CN1CC(c2cccnc2)C1 ZINC001203266326 979782053 /nfs/dbraw/zinc/78/20/53/979782053.db2.gz ZJCXYXONWDSPOD-UHFFFAOYSA-N 0 1 227.311 2.020 20 0 BEADMN CC(C)(C)Oc1ccccc1CN1CC[C@@H](O)C1 ZINC001237027091 979807468 /nfs/dbraw/zinc/80/74/68/979807468.db2.gz QIGWXXKNQIAYEV-CYBMUJFWSA-N 0 1 249.354 2.431 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001605171139 979829528 /nfs/dbraw/zinc/82/95/28/979829528.db2.gz JPOPVRWXGHJCFC-OMMCCPJFSA-N 0 1 235.283 2.362 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC001605171641 979830704 /nfs/dbraw/zinc/83/07/04/979830704.db2.gz NUKXLPAQDRETNI-SECBINFHSA-N 0 1 223.272 2.271 20 0 BEADMN O[C@@H]1CN(Cc2ccc3cccccc2-3)C[C@@H]1F ZINC001237186196 979836537 /nfs/dbraw/zinc/83/65/37/979836537.db2.gz JGJVPKQVTQNMIX-LSDHHAIUSA-N 0 1 245.297 2.306 20 0 BEADMN FC(F)C1CN(CC2OC=CC2=S)C1 ZINC001237188318 979838280 /nfs/dbraw/zinc/83/82/80/979838280.db2.gz UYMQLLFJCRVZFG-UHFFFAOYSA-N 0 1 219.256 2.265 20 0 BEADMN CCCC[N@H+]1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001605280775 979851954 /nfs/dbraw/zinc/85/19/54/979851954.db2.gz NQZOFKYNSOBMTQ-CYBMUJFWSA-N 0 1 249.310 2.004 20 0 BEADMN Cc1ncccc1C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001605424214 979871228 /nfs/dbraw/zinc/87/12/28/979871228.db2.gz BQIMTMJATIQHMU-ZWNOBZJWSA-N 0 1 248.326 2.218 20 0 BEADMN CCc1cccc(C)c1CN1CC(C)(O)C1 ZINC001237336957 979874923 /nfs/dbraw/zinc/87/49/23/979874923.db2.gz XWRDOPMHDVUKOQ-UHFFFAOYSA-N 0 1 219.328 2.124 20 0 BEADMN COc1ccc2c(c1)[nH]nc2CN1C[C@@H]2C[C@@H]2C1 ZINC001237389517 979880915 /nfs/dbraw/zinc/88/09/15/979880915.db2.gz QPIYHBRIXBFEIU-AOOOYVTPSA-N 0 1 243.310 2.023 20 0 BEADMN COc1ccc2c(c1)n[nH]c2CN1CC[C@H](F)C1 ZINC001237385934 979882988 /nfs/dbraw/zinc/88/29/88/979882988.db2.gz OYCLRPKBFQGPTD-VIFPVBQESA-N 0 1 249.289 2.115 20 0 BEADMN COc1ccc2c(c1)[nH]nc2CN1CCCC1 ZINC001237398298 979885863 /nfs/dbraw/zinc/88/58/63/979885863.db2.gz WNGQYMDNTKCVMV-UHFFFAOYSA-N 0 1 231.299 2.167 20 0 BEADMN C[N@@H+](CCCF)Cc1cc(-c2ccccn2)n[nH]1 ZINC001183897981 979900097 /nfs/dbraw/zinc/90/00/97/979900097.db2.gz OMUJBGJXEAIKSR-UHFFFAOYSA-N 0 1 248.305 2.263 20 0 BEADMN CN(CCCF)Cc1cc(-c2ccccn2)n[nH]1 ZINC001183897981 979900104 /nfs/dbraw/zinc/90/01/04/979900104.db2.gz OMUJBGJXEAIKSR-UHFFFAOYSA-N 0 1 248.305 2.263 20 0 BEADMN COc1c(C)cccc1CN(C)[C@H]1CCOC1 ZINC001237506348 979925362 /nfs/dbraw/zinc/92/53/62/979925362.db2.gz WDZDTHHASSYVAO-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN F[C@@H]1CN(Cc2ccn3nccc3c2)C[C@@H]2C[C@@H]21 ZINC001237538769 979930661 /nfs/dbraw/zinc/93/06/61/979930661.db2.gz MOGNTKHGOYXJKC-FPMFFAJLSA-N 0 1 245.301 2.124 20 0 BEADMN O=C([O-])C1CCC([NH2+]C2(C(F)F)CC2)CC1 ZINC001605990732 979941583 /nfs/dbraw/zinc/94/15/83/979941583.db2.gz IFXRYUSMWQBQCD-UHFFFAOYSA-N 0 1 233.258 2.017 20 0 BEADMN CN(Cc1cnn(C)c1Cl)CC1CCC1 ZINC001184135128 979946448 /nfs/dbraw/zinc/94/64/48/979946448.db2.gz LBDKRJOCRZLKNX-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN CCc1cc(CNCc2ccc(O)c(F)c2)n[nH]1 ZINC001342947686 979953027 /nfs/dbraw/zinc/95/30/27/979953027.db2.gz QAGACJLUJFSLGT-UHFFFAOYSA-N 0 1 249.289 2.107 20 0 BEADMN CCc1cc(CNCc2ccc(O)c(F)c2)[nH]n1 ZINC001342947686 979953034 /nfs/dbraw/zinc/95/30/34/979953034.db2.gz QAGACJLUJFSLGT-UHFFFAOYSA-N 0 1 249.289 2.107 20 0 BEADMN CC1(C)CN(Cc2nnc[nH]2)Cc2ccccc21 ZINC001237600698 979955140 /nfs/dbraw/zinc/95/51/40/979955140.db2.gz CSVOWBHBWWRCRT-UHFFFAOYSA-N 0 1 242.326 2.098 20 0 BEADMN Clc1cccc2c1CCN(Cc1nnc[nH]1)C2 ZINC001237602166 979957913 /nfs/dbraw/zinc/95/79/13/979957913.db2.gz PICZDNUPXXOWOI-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN Cc1ccc([C@H]2CCCN2Cc2nnc[nH]2)cc1 ZINC001237601655 979958645 /nfs/dbraw/zinc/95/86/45/979958645.db2.gz CWQZEOSXPPTFRB-CYBMUJFWSA-N 0 1 242.326 2.450 20 0 BEADMN COc1ccc([C@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001237601409 979959460 /nfs/dbraw/zinc/95/94/60/979959460.db2.gz HXVANMCJLSTINX-JTQLQIEISA-N 0 1 246.314 2.006 20 0 BEADMN C[N@H+](CCC1CC1)Cc1ncc(C(=O)[O-])s1 ZINC001606111302 979961033 /nfs/dbraw/zinc/96/10/33/979961033.db2.gz SOKHVDNCTDZPRG-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ncc(C(=O)[O-])s1 ZINC001606111302 979961043 /nfs/dbraw/zinc/96/10/43/979961043.db2.gz SOKHVDNCTDZPRG-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN C[N@@H+](Cc1cc2ccccc2[nH]1)C(C)(C)C(=O)[O-] ZINC001606147304 979965868 /nfs/dbraw/zinc/96/58/68/979965868.db2.gz RIKRSVJAOOURDN-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN Cc1coc(CN2C[C@H](C)CC23CC3)n1 ZINC001237644089 979993775 /nfs/dbraw/zinc/99/37/75/979993775.db2.gz ZCQHSEZXDUNRJO-SECBINFHSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1coc(CN2CC[C@@H](c3ccncc3)C2)n1 ZINC001237646397 979996451 /nfs/dbraw/zinc/99/64/51/979996451.db2.gz RVQUVWGCFNLEBE-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1coc(CN2CC[C@H](c3ccncc3)C2)n1 ZINC001237646399 979998840 /nfs/dbraw/zinc/99/88/40/979998840.db2.gz RVQUVWGCFNLEBE-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@@](C)(F)[C@H](F)C1 ZINC001237651335 980006097 /nfs/dbraw/zinc/00/60/97/980006097.db2.gz JOFPPAIEUJXSQW-VXGBXAGGSA-N 0 1 243.301 2.244 20 0 BEADMN CCc1[nH]ncc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237649885 980008368 /nfs/dbraw/zinc/00/83/68/980008368.db2.gz BHXILLVIYWFJKH-NSHDSACASA-N 0 1 241.285 2.203 20 0 BEADMN CCc1[nH]ncc1CN1Cc2cnc(C)cc2C1 ZINC001237658338 980019205 /nfs/dbraw/zinc/01/92/05/980019205.db2.gz IHQIIFAVAIWTNS-UHFFFAOYSA-N 0 1 242.326 2.191 20 0 BEADMN CCN(Cc1cc(OC)ccc1C)C1CN(C)C1 ZINC001237716794 980038844 /nfs/dbraw/zinc/03/88/44/980038844.db2.gz WJPGCDNXOYGUOR-UHFFFAOYSA-N 0 1 248.370 2.140 20 0 BEADMN COc1ccc(C)c(CN2CC[C@@]23CCOC3)c1 ZINC001237716392 980039139 /nfs/dbraw/zinc/03/91/39/980039139.db2.gz VDSBDBQOSZDTSY-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN F[C@H]1CN(Cc2cccc3c2OCC3)C[C@@H]2C[C@@H]21 ZINC001237745631 980044991 /nfs/dbraw/zinc/04/49/91/980044991.db2.gz JUJDCVOESNOXIE-IHRRRGAJSA-N 0 1 247.313 2.411 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC23CC3)nc1 ZINC001237807741 980056358 /nfs/dbraw/zinc/05/63/58/980056358.db2.gz PHVNPDGDLSFEQE-JTQLQIEISA-N 0 1 217.316 2.159 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1C[C@@H]1C(C)C ZINC001343307755 980065209 /nfs/dbraw/zinc/06/52/09/980065209.db2.gz HNSFXKWVPWYDCR-NXEZZACHSA-N 0 1 222.288 2.167 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1C[C@H]1C(C)C ZINC001343307756 980066101 /nfs/dbraw/zinc/06/61/01/980066101.db2.gz HNSFXKWVPWYDCR-UWVGGRQHSA-N 0 1 222.288 2.167 20 0 BEADMN C[C@H]1C[C@@H]1CN1CC(Oc2ccccc2)C1 ZINC001184428419 980079921 /nfs/dbraw/zinc/07/99/21/980079921.db2.gz LNAPKBKMPZPSAS-NWDGAFQWSA-N 0 1 217.312 2.406 20 0 BEADMN C[C@H]1CCC[C@@H](C(=O)Nc2cccnc2CN)C1 ZINC001184514824 980102543 /nfs/dbraw/zinc/10/25/43/980102543.db2.gz FAZANUYBSNUVLO-WDEREUQCSA-N 0 1 247.342 2.305 20 0 BEADMN CCOC1CCN(Cc2occc2OC)CC1 ZINC001237870917 980104339 /nfs/dbraw/zinc/10/43/39/980104339.db2.gz HTMAMKXIEUJCOZ-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN COc1ccoc1CN1CCC[C@]12CCOC2 ZINC001237877870 980110533 /nfs/dbraw/zinc/11/05/33/980110533.db2.gz VSKHODLBAKHGHU-CYBMUJFWSA-N 0 1 237.299 2.043 20 0 BEADMN COc1ccoc1CN1CCC[C@@]12CCOC2 ZINC001237877873 980111023 /nfs/dbraw/zinc/11/10/23/980111023.db2.gz VSKHODLBAKHGHU-ZDUSSCGKSA-N 0 1 237.299 2.043 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC001607476355 980111648 /nfs/dbraw/zinc/11/16/48/980111648.db2.gz NCZRXYSSTWZZRO-IEECTRCBSA-N 0 1 237.343 2.075 20 0 BEADMN C[Si](C)(C)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001607482563 980113420 /nfs/dbraw/zinc/11/34/20/980113420.db2.gz ZHUPMPBWDDHLAE-JQWIXIFHSA-N 0 1 241.407 2.051 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CCC1(C)CC1 ZINC001343466881 980116507 /nfs/dbraw/zinc/11/65/07/980116507.db2.gz JAOABMIJUABROB-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CCCC1(C)C ZINC001343473986 980119863 /nfs/dbraw/zinc/11/98/63/980119863.db2.gz ROLGQVGWJJJLER-SECBINFHSA-N 0 1 222.288 2.454 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1C(=O)[O-] ZINC001607642153 980120564 /nfs/dbraw/zinc/12/05/64/980120564.db2.gz ZFEIOWAVASAPER-LLVKDONJSA-N 0 1 237.274 2.237 20 0 BEADMN Cc1cc(OCc2cccc(C(=O)[O-])n2)cc[nH+]1 ZINC001607703222 980125267 /nfs/dbraw/zinc/12/52/67/980125267.db2.gz SDTXBHYGPGXXNY-UHFFFAOYSA-N 0 1 244.250 2.062 20 0 BEADMN CN(C)Cc1cccc(N2CCCCC2)n1 ZINC001237997612 980126038 /nfs/dbraw/zinc/12/60/38/980126038.db2.gz DKOZLRMOPKAUNZ-UHFFFAOYSA-N 0 1 219.332 2.134 20 0 BEADMN FC(F)C1CN(Cc2cccc3cncn32)C1 ZINC001238116981 980168262 /nfs/dbraw/zinc/16/82/62/980168262.db2.gz TXRDKJPAJHDIEG-UHFFFAOYSA-N 0 1 237.253 2.031 20 0 BEADMN CC(C)N(Cc1c(N)ccnc1F)C(C)C ZINC001238151351 980177574 /nfs/dbraw/zinc/17/75/74/980177574.db2.gz CBVHSJCJUOGWHB-UHFFFAOYSA-N 0 1 225.311 2.422 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1c(N)ccnc1F ZINC001238157734 980182342 /nfs/dbraw/zinc/18/23/42/980182342.db2.gz YNENFSCBRQNREE-VHSXEESVSA-N 0 1 237.322 2.423 20 0 BEADMN CC1(C)CC[C@@H](C(=O)Nc2cccnc2CN)C1 ZINC001185174662 980188039 /nfs/dbraw/zinc/18/80/39/980188039.db2.gz NUFCAWGPONXGBL-SNVBAGLBSA-N 0 1 247.342 2.305 20 0 BEADMN Cc1ncncc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001238163122 980192173 /nfs/dbraw/zinc/19/21/73/980192173.db2.gz DOZQKIZRBYFHNT-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN Cc1ncncc1CN1CCC(OC(C)C)CC1 ZINC001238171546 980202725 /nfs/dbraw/zinc/20/27/25/980202725.db2.gz ZXEQGZIRBSLSEG-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN CO[C@H](C)C1CN(Cc2cncc(C3CC3)c2)C1 ZINC001238191952 980217859 /nfs/dbraw/zinc/21/78/59/980217859.db2.gz AQHDZRAVUIEKKO-LLVKDONJSA-N 0 1 246.354 2.426 20 0 BEADMN C[C@@H]1C[C@@H](O)CCN1Cc1cncc(C2CC2)c1 ZINC001238186911 980219709 /nfs/dbraw/zinc/21/97/09/980219709.db2.gz GRFXWQFXIZJGNQ-ABAIWWIYSA-N 0 1 246.354 2.304 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001608575111 980235513 /nfs/dbraw/zinc/23/55/13/980235513.db2.gz DCHRETNFIGXTGX-GXTWGEPZSA-N 0 1 249.285 2.173 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)ncc1Cl ZINC001238417797 980249029 /nfs/dbraw/zinc/24/90/29/980249029.db2.gz GDSBZGXGSKUQPO-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001608633891 980249935 /nfs/dbraw/zinc/24/99/35/980249935.db2.gz JXGROFRWCGDIMM-QQHVMHFCSA-N 0 1 249.285 2.245 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ncc(C)cc2C)C1 ZINC001238435968 980261260 /nfs/dbraw/zinc/26/12/60/980261260.db2.gz AJCXEBZSELIBLK-CQSZACIVSA-N 0 1 246.354 2.499 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001608748372 980274490 /nfs/dbraw/zinc/27/44/90/980274490.db2.gz QQBZYENWNZQOCU-UKRRQHHQSA-N 0 1 245.322 2.472 20 0 BEADMN COC[C@@H]1CCN1Cc1cnc(C2CC2)c(C)c1 ZINC001238630443 980300245 /nfs/dbraw/zinc/30/02/45/980300245.db2.gz DZKDHUVZUUQWRJ-AWEZNQCLSA-N 0 1 246.354 2.488 20 0 BEADMN CC(=O)NCCNc1nccc2cc(C)ccc21 ZINC000074389169 980322968 /nfs/dbraw/zinc/32/29/68/980322968.db2.gz HDIOSABWEJHMPA-UHFFFAOYSA-N 0 1 243.310 2.091 20 0 BEADMN C[C@H](C[N@H+]1CC[C@](F)(C(=O)[O-])C1)C(C)(C)C ZINC000901519696 980337321 /nfs/dbraw/zinc/33/73/21/980337321.db2.gz RFHJUOWXDKUAAO-BXKDBHETSA-N 0 1 231.311 2.167 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC001344161078 980355852 /nfs/dbraw/zinc/35/58/52/980355852.db2.gz TYJMFGVYYFAACM-NXEZZACHSA-N 0 1 249.314 2.328 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1cccc(F)n1 ZINC001344263036 980360343 /nfs/dbraw/zinc/36/03/43/980360343.db2.gz TZDQGEOMFMCVDO-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN COc1ccnc(NCc2ccc(C)nc2)c1 ZINC000154808705 980369829 /nfs/dbraw/zinc/36/98/29/980369829.db2.gz JIOGZRFJQJOHNF-UHFFFAOYSA-N 0 1 229.283 2.406 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691659357 980377823 /nfs/dbraw/zinc/37/78/23/980377823.db2.gz GKVXFZDKVMFFIW-TUUUFIMRSA-N 0 1 237.343 2.219 20 0 BEADMN COc1ccc(C)cc1NC(=O)c1[nH]cnc1C ZINC000074672923 980383302 /nfs/dbraw/zinc/38/33/02/980383302.db2.gz ZFAFUOBTBSBMRR-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN O=C(OCCc1c[nH]nn1)[C@@H]1CCC=CCCC1 ZINC001344740043 980462004 /nfs/dbraw/zinc/46/20/04/980462004.db2.gz VUFLQBOMEXODHJ-LLVKDONJSA-N 0 1 249.314 2.027 20 0 BEADMN O=C(OCCc1cnn[nH]1)[C@@H]1CCC=CCCC1 ZINC001344740043 980462006 /nfs/dbraw/zinc/46/20/06/980462006.db2.gz VUFLQBOMEXODHJ-LLVKDONJSA-N 0 1 249.314 2.027 20 0 BEADMN CC(C)(O)/C=C/c1ccc2cncn2c1 ZINC001239150812 980466379 /nfs/dbraw/zinc/46/63/79/980466379.db2.gz IUJOWRFZBKKOTR-AATRIKPKSA-N 0 1 202.257 2.118 20 0 BEADMN Cc1nc2cncc(C=CC(C)(C)O)c2[nH]1 ZINC001239159061 980475144 /nfs/dbraw/zinc/47/51/44/980475144.db2.gz APCIUGNDYVGUOU-SNAWJCMRSA-N 0 1 217.272 2.050 20 0 BEADMN Cc1nc2c(cncc2C=CC(C)(C)O)[nH]1 ZINC001239159061 980475154 /nfs/dbraw/zinc/47/51/54/980475154.db2.gz APCIUGNDYVGUOU-SNAWJCMRSA-N 0 1 217.272 2.050 20 0 BEADMN Cc1nc2ncc(-c3cnoc3)c(C)c2[nH]1 ZINC001239194179 980495470 /nfs/dbraw/zinc/49/54/70/980495470.db2.gz KTKXBULNIFZWGK-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H](C)[C@H](C)C2)[nH]1 ZINC000075411866 980526066 /nfs/dbraw/zinc/52/60/66/980526066.db2.gz PSZMSEUDENLTOO-NXEZZACHSA-N 0 1 235.331 2.261 20 0 BEADMN Cc1ccccc1[C@@H](CO)NCc1ccncc1 ZINC001345052670 980536365 /nfs/dbraw/zinc/53/63/65/980536365.db2.gz CJDGLGOVADVNMT-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN Cc1ccc(OC(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001239339496 980545328 /nfs/dbraw/zinc/54/53/28/980545328.db2.gz ZWSUAWKXTOSEMB-VXGBXAGGSA-N 0 1 248.326 2.176 20 0 BEADMN CCCC[C@@H](CC)COC(=O)N1CCNC1 ZINC001239339095 980546624 /nfs/dbraw/zinc/54/66/24/980546624.db2.gz LZMQNAXZDNAQGN-LLVKDONJSA-N 0 1 228.336 2.202 20 0 BEADMN C[C@H]1CN(C(=O)c2[nH]ncc2Cl)C2(CC2)C1 ZINC001187840496 980558824 /nfs/dbraw/zinc/55/88/24/980558824.db2.gz IIMFZTWADDKVIO-SSDOTTSWSA-N 0 1 239.706 2.078 20 0 BEADMN CCCCC(N)=NOCC[C@@H]1CCOC1 ZINC001345156960 980568052 /nfs/dbraw/zinc/56/80/52/980568052.db2.gz ZQFIVIHRUILFBE-JTQLQIEISA-N 0 1 214.309 2.102 20 0 BEADMN CNc1ccc(-c2cccc3[nH]nnc32)c(F)n1 ZINC001239421014 980570521 /nfs/dbraw/zinc/57/05/21/980570521.db2.gz MYBMMVRWRVWJKA-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CCCCCC[N@@H+](C)CC(=O)[N-]OC(C)(C)C ZINC000156062645 980626427 /nfs/dbraw/zinc/62/64/27/980626427.db2.gz FURGESJLNFOTCO-UHFFFAOYSA-N 0 1 244.379 2.345 20 0 BEADMN Cc1cc(C2=CCOC2)cc2nc[nH]c21 ZINC001239481433 980627453 /nfs/dbraw/zinc/62/74/53/980627453.db2.gz OFENLTLBJWUJMK-UHFFFAOYSA-N 0 1 200.241 2.285 20 0 BEADMN CN(C(=O)c1ncc(C(F)(F)F)[nH]1)C(C)(C)C ZINC001188284186 980632130 /nfs/dbraw/zinc/63/21/30/980632130.db2.gz AWPLXUMUTYKDQY-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H]1CC12CCC2 ZINC001345595813 980640027 /nfs/dbraw/zinc/64/00/27/980640027.db2.gz UIWLNQRGMWZDAE-SECBINFHSA-N 0 1 220.272 2.065 20 0 BEADMN CSc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001239495879 980654799 /nfs/dbraw/zinc/65/47/99/980654799.db2.gz DCXRRRCYZQTUJR-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN C[C@@H](OC(=O)C[C@H]1CC=CCC1)c1nnc[nH]1 ZINC001345640823 980658042 /nfs/dbraw/zinc/65/80/42/980658042.db2.gz LVHCSDHJUQNYCL-ZJUUUORDSA-N 0 1 235.287 2.155 20 0 BEADMN CCCC(=O)N1CC[C@@H](N(C)C[C@@H](F)CC)C1 ZINC001188633733 980685594 /nfs/dbraw/zinc/68/55/94/980685594.db2.gz ILYNMPLPQAPSCP-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN CCCC(=O)N1CC[C@H](N(C)C/C=C/Cl)C1 ZINC001188641466 980686334 /nfs/dbraw/zinc/68/63/34/980686334.db2.gz GUTWRJZAHGAQIE-ZPMKCOPCSA-N 0 1 244.766 2.072 20 0 BEADMN CCCC(=O)N1CC[C@@H](N(C)C/C=C\Cl)C1 ZINC001188641447 980686399 /nfs/dbraw/zinc/68/63/99/980686399.db2.gz GUTWRJZAHGAQIE-MEQVVJDKSA-N 0 1 244.766 2.072 20 0 BEADMN Cc1nnc(SCCC[C@@H]2CCOC2)[nH]1 ZINC001345929624 980710176 /nfs/dbraw/zinc/71/01/76/980710176.db2.gz BBIQBJHCESSBOF-SECBINFHSA-N 0 1 227.333 2.022 20 0 BEADMN O=C(CC1CCC1)OCc1ccc2[nH]nnc2c1 ZINC001346040669 980737298 /nfs/dbraw/zinc/73/72/98/980737298.db2.gz WNXKWHVFKBWSKM-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN O=C(CC1CCC1)OCc1ccc2nn[nH]c2c1 ZINC001346040669 980737301 /nfs/dbraw/zinc/73/73/01/980737301.db2.gz WNXKWHVFKBWSKM-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CCc1ccc(-c2ncnc3c2CNC3)cc1 ZINC001239586755 980778792 /nfs/dbraw/zinc/77/87/92/980778792.db2.gz DBOKVPIURFXOBT-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(CC)nc1 ZINC001190131561 980852961 /nfs/dbraw/zinc/85/29/61/980852961.db2.gz GBUTVCHQKUXAME-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN Cc1cc(Cc2cccc3nc[nH]c32)on1 ZINC001250363373 980858398 /nfs/dbraw/zinc/85/83/98/980858398.db2.gz MGZSEWIMNOVXLT-UHFFFAOYSA-N 0 1 213.240 2.450 20 0 BEADMN Cc1noc(Cc2cc(O)c(F)c(F)c2F)n1 ZINC001250358749 980860136 /nfs/dbraw/zinc/86/01/36/980860136.db2.gz CCJPGQWJUGPJHA-UHFFFAOYSA-N 0 1 244.172 2.092 20 0 BEADMN COc1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001239722060 980875700 /nfs/dbraw/zinc/87/57/00/980875700.db2.gz NJJRKEQRWZCQBC-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001239727266 980880053 /nfs/dbraw/zinc/88/00/53/980880053.db2.gz ZFOAJWMOSDSINA-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001239727266 980880055 /nfs/dbraw/zinc/88/00/55/980880055.db2.gz ZFOAJWMOSDSINA-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN NC(=O)c1ccccc1-c1ccc2nc[nH]c2c1 ZINC001239761415 980900878 /nfs/dbraw/zinc/90/08/78/980900878.db2.gz VJSIFLAYRMOWIA-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN CN1CCN(c2cccc(C3=CCCC3)n2)CC1 ZINC001239785078 980916051 /nfs/dbraw/zinc/91/60/51/980916051.db2.gz BUFBUWWNZMRMTO-UHFFFAOYSA-N 0 1 243.354 2.401 20 0 BEADMN C[C@H](O)[C@H](C)N1CCc2c(Cl)cccc2C1 ZINC001191131456 980989687 /nfs/dbraw/zinc/98/96/87/980989687.db2.gz FYXXSXGVVJQFST-UWVGGRQHSA-N 0 1 239.746 2.467 20 0 BEADMN COc1ncccc1-c1cc2[nH]cnc2nc1C ZINC001239857984 980998691 /nfs/dbraw/zinc/99/86/91/980998691.db2.gz DUFDVAMJBICSGZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncccc1-c1ccc2cncn2c1 ZINC001239857171 980999744 /nfs/dbraw/zinc/99/97/44/980999744.db2.gz NJRUMXKASRKBJV-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595408955 981003519 /nfs/dbraw/zinc/00/35/19/981003519.db2.gz PRVZFWOCUPUOLH-ONGXEEELSA-N 0 1 236.315 2.333 20 0 BEADMN Cc1ccc(OCCSCc2nnc[nH]2)cc1 ZINC001347192829 981008739 /nfs/dbraw/zinc/00/87/39/981008739.db2.gz DUUDRMSGEFZWEM-UHFFFAOYSA-N 0 1 249.339 2.425 20 0 BEADMN Cc1cc(CNc2cccc3c2COC3=O)n[nH]1 ZINC001347237149 981016734 /nfs/dbraw/zinc/01/67/34/981016734.db2.gz FCZZZXFGVVSLEP-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595415823 981029817 /nfs/dbraw/zinc/02/98/17/981029817.db2.gz LJEKBNILZURKLB-KOLCDFICSA-N 0 1 236.315 2.476 20 0 BEADMN Cc1ccncc1-c1cc2[nH]cnc2cn1 ZINC001239971989 981071570 /nfs/dbraw/zinc/07/15/70/981071570.db2.gz FVPJMNKZOSAKCA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1n[nH]c(C)c1-c1cc2[nH]nnc2cc1F ZINC001240125736 981123399 /nfs/dbraw/zinc/12/33/99/981123399.db2.gz KVKDLHOCSJVUGU-UHFFFAOYSA-N 0 1 231.234 2.104 20 0 BEADMN Cc1nc2c(cncc2-c2c(C)n[nH]c2C)[nH]1 ZINC001240128370 981127102 /nfs/dbraw/zinc/12/71/02/981127102.db2.gz JRZVRBOIJPBDJG-UHFFFAOYSA-N 0 1 227.271 2.273 20 0 BEADMN Cc1nc2c[nH]cc(-c3c(C)n[nH]c3C)c-2n1 ZINC001240128370 981127106 /nfs/dbraw/zinc/12/71/06/981127106.db2.gz JRZVRBOIJPBDJG-UHFFFAOYSA-N 0 1 227.271 2.273 20 0 BEADMN CC[C@@H](C)CCC(=O)NCc1n[nH]c(C)c1C ZINC001347612910 981129547 /nfs/dbraw/zinc/12/95/47/981129547.db2.gz CRTMEFQUCXSCHF-SECBINFHSA-N 0 1 237.347 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)c2ccsc2C)c1C ZINC001347613242 981130021 /nfs/dbraw/zinc/13/00/21/981130021.db2.gz GZBOQEKKDYVAKC-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)nc1 ZINC001192389740 981152705 /nfs/dbraw/zinc/15/27/05/981152705.db2.gz IHTCDEXZOSVPEW-NEPJUHHUSA-N 0 1 238.281 2.477 20 0 BEADMN Oc1cc(F)c(-c2ncc(F)cn2)c(F)c1 ZINC001250475326 981160831 /nfs/dbraw/zinc/16/08/31/981160831.db2.gz GFIIENKIVMPYAI-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN c1cn2cc(-c3ccc4[nH]nnc4c3)ccc2n1 ZINC001240217418 981165848 /nfs/dbraw/zinc/16/58/48/981165848.db2.gz CBWZDDFBBUFGJH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Fc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001250476398 981169835 /nfs/dbraw/zinc/16/98/35/981169835.db2.gz FGYDIOWKPGNTJC-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001240220836 981172603 /nfs/dbraw/zinc/17/26/03/981172603.db2.gz KSNBFURYDCARDQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cc2nccc(-c3cccc4nc[nH]c43)n2n1 ZINC001250481917 981178412 /nfs/dbraw/zinc/17/84/12/981178412.db2.gz ZNNHRVQXKNBZMA-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Fc1cncc(-c2nccc3c2CCN3)c1 ZINC001240233712 981191351 /nfs/dbraw/zinc/19/13/51/981191351.db2.gz TZTGEYCJDAZZIU-UHFFFAOYSA-N 0 1 215.231 2.251 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@H](C)c2ccccc21)N(C)C ZINC000078711875 981201398 /nfs/dbraw/zinc/20/13/98/981201398.db2.gz FIRWVYLRQWHWRS-MJVIPROJSA-N 0 1 246.354 2.301 20 0 BEADMN CCC1(NC(=O)c2ccc3cncn3c2C)CC1 ZINC001347870476 981202981 /nfs/dbraw/zinc/20/29/81/981202981.db2.gz GVNYZHBDGWAZMA-UHFFFAOYSA-N 0 1 243.310 2.315 20 0 BEADMN COc1cc(-c2cncc3nc[nH]c32)ccn1 ZINC001240257254 981230975 /nfs/dbraw/zinc/23/09/75/981230975.db2.gz PKEWBIMTLQVIMR-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cc2nc(-c3nc[nH]c3C)[nH]c2cc1F ZINC001250499003 981250858 /nfs/dbraw/zinc/25/08/58/981250858.db2.gz VNFIRZJHIABYFC-UHFFFAOYSA-N 0 1 246.245 2.409 20 0 BEADMN CC[N@@H+](Cc1cc(COC)on1)C(C)(C)C ZINC001348075222 981271966 /nfs/dbraw/zinc/27/19/66/981271966.db2.gz OHEJSNKSPWQXID-UHFFFAOYSA-N 0 1 226.320 2.441 20 0 BEADMN CCN(Cc1cc(COC)on1)C(C)(C)C ZINC001348075222 981271973 /nfs/dbraw/zinc/27/19/73/981271973.db2.gz OHEJSNKSPWQXID-UHFFFAOYSA-N 0 1 226.320 2.441 20 0 BEADMN Cc1nn(C)cc1-c1ccc2c(c1)C[N@H+](C)CC2 ZINC001240305810 981274927 /nfs/dbraw/zinc/27/49/27/981274927.db2.gz XQIZXRJZUAWBCF-UHFFFAOYSA-N 0 1 241.338 2.383 20 0 BEADMN Cc1coc(C)c1C(=O)NCc1n[nH]c(C)c1C ZINC001348120976 981286782 /nfs/dbraw/zinc/28/67/82/981286782.db2.gz XFBYVDDYEKYYBU-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN CCC[C@@H](C)CC(=O)NCc1n[nH]c(C)c1C ZINC001348119573 981287476 /nfs/dbraw/zinc/28/74/76/981287476.db2.gz CYMLHQFGGYFJEB-SECBINFHSA-N 0 1 237.347 2.469 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccc(=O)n(C)c1 ZINC001240332848 981302313 /nfs/dbraw/zinc/30/23/13/981302313.db2.gz PSVPLMHHNMHZFT-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595514926 981318904 /nfs/dbraw/zinc/31/89/04/981318904.db2.gz OJXKUYRNCFOPFN-KBIXYVOKSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1cncc(C[N@H+]2CC3CCC2CC3)n1 ZINC001203173863 981320459 /nfs/dbraw/zinc/32/04/59/981320459.db2.gz UVRONJBNLXSAIY-UHFFFAOYSA-N 0 1 217.316 2.159 20 0 BEADMN CC1CCC(C)(C(=O)OCc2c[nH]nn2)CC1 ZINC001348401179 981355121 /nfs/dbraw/zinc/35/51/21/981355121.db2.gz JPSPRXLKPFUDKX-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193770177 981450869 /nfs/dbraw/zinc/45/08/69/981450869.db2.gz NAMUZWMCTYFNEP-ZETCQYMHSA-N 0 1 243.253 2.445 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C1CCCCC1)N(C)C ZINC001348936339 981479644 /nfs/dbraw/zinc/47/96/44/981479644.db2.gz BQJFNHQEQZKQKH-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN COc1cc(-c2[nH]ccc3ncnc2-3)ccc1O ZINC001240610867 981505506 /nfs/dbraw/zinc/50/55/06/981505506.db2.gz SAGBAWZHWIOPOH-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cc(-c2nccc3[nH]cnc32)ccc1O ZINC001240610867 981505514 /nfs/dbraw/zinc/50/55/14/981505514.db2.gz SAGBAWZHWIOPOH-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)c1C ZINC001349147215 981512205 /nfs/dbraw/zinc/51/22/05/981512205.db2.gz JBBJNPQRQNYFPC-BXUZGUMPSA-N 0 1 249.358 2.325 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CCC[C@@H]2C)c1C ZINC001349149206 981512904 /nfs/dbraw/zinc/51/29/04/981512904.db2.gz VSSDMQXPLZMWST-CABZTGNLSA-N 0 1 249.358 2.469 20 0 BEADMN c1nc2c(ccnc2-c2cnc(C3CC3)nc2)[nH]1 ZINC001240681309 981585950 /nfs/dbraw/zinc/58/59/50/981585950.db2.gz FTUQJQZKMXMFSM-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN [NH3+]Cc1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240693254 981597246 /nfs/dbraw/zinc/59/72/46/981597246.db2.gz JNYQITCJHULSPW-UHFFFAOYSA-N 0 1 218.231 2.052 20 0 BEADMN Oc1ccc(F)cc1-c1cc2[nH]cnc2cn1 ZINC001240693703 981600346 /nfs/dbraw/zinc/60/03/46/981600346.db2.gz VVYKTYOCGIZKHJ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCn1nccc1-c1ccc2nc[nH]c2c1 ZINC001240695684 981604366 /nfs/dbraw/zinc/60/43/66/981604366.db2.gz OTRZIUCHEVJIGC-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN CCn1nccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001240709992 981675917 /nfs/dbraw/zinc/67/59/17/981675917.db2.gz CFGQQFJLHSMVRH-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CCn1nccc1-c1cncc2[nH]c(C)nc21 ZINC001240709992 981675928 /nfs/dbraw/zinc/67/59/28/981675928.db2.gz CFGQQFJLHSMVRH-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@H]1F ZINC001349846819 981785454 /nfs/dbraw/zinc/78/54/54/981785454.db2.gz NPJIZELNSXIKPB-INEUFUBQSA-N 0 1 247.628 2.481 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)CCSC ZINC001595628475 981786689 /nfs/dbraw/zinc/78/66/89/981786689.db2.gz AHNMOSUSAKMAPQ-JTQLQIEISA-N 0 1 233.377 2.315 20 0 BEADMN Cc1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001240799899 981846214 /nfs/dbraw/zinc/84/62/14/981846214.db2.gz AUNYGKYNEKPYNI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cncc(-c2nccc3[nH]cnc32)c1 ZINC001240799447 981846529 /nfs/dbraw/zinc/84/65/29/981846529.db2.gz BBEODPWJXZULLZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cncc(-c2cccc3[nH]nnc32)c1 ZINC001240802208 981850159 /nfs/dbraw/zinc/85/01/59/981850159.db2.gz GGCYIHVUAFKXFW-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN C[C@@H](CC(=O)OCc1nnc[nH]1)c1ccccc1 ZINC001350037790 981851309 /nfs/dbraw/zinc/85/13/09/981851309.db2.gz KCXRCVPWBFOWFQ-JTQLQIEISA-N 0 1 245.282 2.042 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC001350051057 981854925 /nfs/dbraw/zinc/85/49/25/981854925.db2.gz BQQHYDXHKGRTAU-DTWKUNHWSA-N 0 1 249.314 2.162 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC001588597656 981855471 /nfs/dbraw/zinc/85/54/71/981855471.db2.gz XWIBYINAGHDCIC-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1cc(-c2cccn3cncc23)n(C)n1 ZINC001240859861 981900367 /nfs/dbraw/zinc/90/03/67/981900367.db2.gz MCHMAGNXKCWKFZ-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001594805335 981907543 /nfs/dbraw/zinc/90/75/43/981907543.db2.gz ZEDVSWSWXSXMGQ-SFYZADRCSA-N 0 1 235.274 2.073 20 0 BEADMN CCCCCNC(=O)c1cccc(F)c1O ZINC001350309797 981919849 /nfs/dbraw/zinc/91/98/49/981919849.db2.gz KRIJZWZOAXURBG-UHFFFAOYSA-N 0 1 225.263 2.451 20 0 BEADMN CC(C)N(Cc1nnc[nH]1)Cc1ccc(F)cc1 ZINC001350358806 981938176 /nfs/dbraw/zinc/93/81/76/981938176.db2.gz MXGPPSMQDBMBTG-UHFFFAOYSA-N 0 1 248.305 2.354 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2C=CCCC2)c1C ZINC001350389193 981958974 /nfs/dbraw/zinc/95/89/74/981958974.db2.gz SNXURYRXOKKGCI-GFCCVEGCSA-N 0 1 247.342 2.389 20 0 BEADMN Cn1cc(CN2CC3CC2(C)C3)c(C(F)F)n1 ZINC001350398276 981961537 /nfs/dbraw/zinc/96/15/37/981961537.db2.gz MSQYSUQOXADEAA-UHFFFAOYSA-N 0 1 241.285 2.342 20 0 BEADMN Cc1nc(CSCc2nnc[nH]2)cs1 ZINC001350500173 981986868 /nfs/dbraw/zinc/98/68/68/981986868.db2.gz LFTDSKLVTIMPOS-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@@H]2C(C)C)n[nH]1 ZINC001586835714 982029902 /nfs/dbraw/zinc/02/99/02/982029902.db2.gz LELARRCJGJKIGH-CYBMUJFWSA-N 0 1 249.358 2.298 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccn1C1CC1 ZINC001350643607 982035496 /nfs/dbraw/zinc/03/54/96/982035496.db2.gz SBWRLXGNFABQIZ-UHFFFAOYSA-N 0 1 230.315 2.178 20 0 BEADMN CCCN(CCC)C(=O)CCN1CC[C@H](F)C1 ZINC001586998027 982038653 /nfs/dbraw/zinc/03/86/53/982038653.db2.gz QPFBSCMMVQCAII-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN Cc1nc2ccc(-c3ccn(C)c(=O)c3)cc2[nH]1 ZINC001240985711 982068199 /nfs/dbraw/zinc/06/81/99/982068199.db2.gz HTUULGXJLNZUGC-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccn(C)c(=O)c1 ZINC001240986892 982071959 /nfs/dbraw/zinc/07/19/59/982071959.db2.gz YHJDRDFKNSJUDF-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1c(N)cc[nH+]c1-c1ccccc1[O-] ZINC001241003745 982090583 /nfs/dbraw/zinc/09/05/83/982090583.db2.gz UHFHBNFJXXSSQY-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN CCOc1nc(-c2ccccc2O)ncc1OC ZINC001241003149 982090359 /nfs/dbraw/zinc/09/03/59/982090359.db2.gz IJTXJBGSFAOJOT-UHFFFAOYSA-N 0 1 246.266 2.257 20 0 BEADMN c1nocc1CN1CCC(c2ccncc2)CC1 ZINC001205696587 982185129 /nfs/dbraw/zinc/18/51/29/982185129.db2.gz CMIOLYNQHXJCLO-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Nc1ccccc1-c1cc2[nH]nnc2cc1F ZINC001241071912 982186968 /nfs/dbraw/zinc/18/69/68/982186968.db2.gz DNPBIIIJNXAYNT-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN C[C@@H](C[NH+]1CCCC1)C(=O)c1ccc([O-])cc1 ZINC001351093116 982201436 /nfs/dbraw/zinc/20/14/36/982201436.db2.gz YQYKEFODUMCECG-NSHDSACASA-N 0 1 233.311 2.307 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC001594874759 982203981 /nfs/dbraw/zinc/20/39/81/982203981.db2.gz DTGSLGXXVDLJGL-WCBMZHEXSA-N 0 1 242.344 2.074 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC001594874759 982203984 /nfs/dbraw/zinc/20/39/84/982203984.db2.gz DTGSLGXXVDLJGL-WCBMZHEXSA-N 0 1 242.344 2.074 20 0 BEADMN CCNC(=S)Nc1cccc(Cl)c1O ZINC001195341699 982207808 /nfs/dbraw/zinc/20/78/08/982207808.db2.gz MOXBBHRNBFVXBV-UHFFFAOYSA-N 0 1 230.720 2.352 20 0 BEADMN CCOc1ccc(F)cc1-c1cnc(CN)nc1 ZINC001241103163 982208838 /nfs/dbraw/zinc/20/88/38/982208838.db2.gz FFORYCBAAVNYLL-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN O=c1[nH]cccc1-c1cccn2cncc12 ZINC001241121487 982244865 /nfs/dbraw/zinc/24/48/65/982244865.db2.gz MKYWRAALKCTINT-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN COc1ccc(CC[N@@H+](C)Cc2cnoc2)cc1 ZINC001205703922 982273370 /nfs/dbraw/zinc/27/33/70/982273370.db2.gz NXHKAJBFTPBOCM-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccc(CCN(C)Cc2cnoc2)cc1 ZINC001205703922 982273399 /nfs/dbraw/zinc/27/33/99/982273399.db2.gz NXHKAJBFTPBOCM-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN Cc1cnc(-c2cc(CO)ccc2F)cc1N ZINC001241150201 982285862 /nfs/dbraw/zinc/28/58/62/982285862.db2.gz IPNSRKYYBINKDV-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN OCc1ccc(F)c(-c2cccc3[nH]nnc32)c1 ZINC001241153651 982287837 /nfs/dbraw/zinc/28/78/37/982287837.db2.gz PWSLUUMZOWHAHS-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC001351373331 982295579 /nfs/dbraw/zinc/29/55/79/982295579.db2.gz DNFQDMSZWATQKH-PWSUYJOCSA-N 0 1 238.331 2.094 20 0 BEADMN Nc1cc(-c2cccc3nc[nH]c32)ccn1 ZINC001241162240 982300454 /nfs/dbraw/zinc/30/04/54/982300454.db2.gz DKUARTXXKMQTQR-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC/C=C\CCN1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC001195548165 982319538 /nfs/dbraw/zinc/31/95/38/982319538.db2.gz TZFZJHNPIGGAIP-OKGKXYPKSA-N 0 1 238.375 2.282 20 0 BEADMN CC/C=C\CCN1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC001195548167 982319747 /nfs/dbraw/zinc/31/97/47/982319747.db2.gz TZFZJHNPIGGAIP-XVDMIKIISA-N 0 1 238.375 2.282 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC001588596815 982332404 /nfs/dbraw/zinc/33/24/04/982332404.db2.gz GCSFMXYOIYCJHJ-GXFFZTMASA-N 0 1 237.274 2.030 20 0 BEADMN Fc1cnccc1-c1nccc2c1CCN2 ZINC001241223628 982364406 /nfs/dbraw/zinc/36/44/06/982364406.db2.gz JMSTZQUHBRYMBB-UHFFFAOYSA-N 0 1 215.231 2.251 20 0 BEADMN Cc1cnc(-c2ccncc2F)cc1N ZINC001241225086 982366399 /nfs/dbraw/zinc/36/63/99/982366399.db2.gz XKSCADQHBHALIK-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN Oc1cc(F)cc(-c2ccc3[nH]nnc3c2)c1 ZINC001241272746 982405231 /nfs/dbraw/zinc/40/52/31/982405231.db2.gz YDHDPYSABGXHDP-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cc(F)cc(-c2ccc3nn[nH]c3c2)c1 ZINC001241272746 982405234 /nfs/dbraw/zinc/40/52/34/982405234.db2.gz YDHDPYSABGXHDP-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1nc2ccoc2c(C2=CCN(C)CC2)n1 ZINC001241307563 982441098 /nfs/dbraw/zinc/44/10/98/982441098.db2.gz IVBDIAQKYIASNA-UHFFFAOYSA-N 0 1 229.283 2.250 20 0 BEADMN C=Cc1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC001250992045 982442050 /nfs/dbraw/zinc/44/20/50/982442050.db2.gz UIYLSTWWQXUEOD-LLVKDONJSA-N 0 1 245.244 2.342 20 0 BEADMN C=C(OCC)c1ccc(C2=CCN(C)CC2)nn1 ZINC001241307630 982443615 /nfs/dbraw/zinc/44/36/15/982443615.db2.gz DCULZIRIXWVHPM-UHFFFAOYSA-N 0 1 245.326 2.203 20 0 BEADMN CN1CC=C(c2ncnc3c2CCCC3)CC1 ZINC001241309324 982446488 /nfs/dbraw/zinc/44/64/88/982446488.db2.gz QIUUFZUEQVPMCS-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CN1CC=C(c2nccc3ncsc32)CC1 ZINC001241311714 982454540 /nfs/dbraw/zinc/45/45/40/982454540.db2.gz ZRMHJLIONKIUFE-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN Cc1nc(C)c(C2=CCN(C)CC2)nc1C ZINC001241317715 982471976 /nfs/dbraw/zinc/47/19/76/982471976.db2.gz TZMNNFBPQODQSL-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN CN1CC=C(c2ncnc3c2CCCCC3)CC1 ZINC001241317410 982475397 /nfs/dbraw/zinc/47/53/97/982475397.db2.gz NSDFMQLFVVTRED-UHFFFAOYSA-N 0 1 243.354 2.464 20 0 BEADMN CN1CC=C(c2cnc(OC3CCC3)nc2)CC1 ZINC001241332835 982495265 /nfs/dbraw/zinc/49/52/65/982495265.db2.gz KYMTUPDXBHELDU-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN CCc1cncc(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001241363920 982521865 /nfs/dbraw/zinc/52/18/65/982521865.db2.gz FEURUEBLQUYLPG-UHFFFAOYSA-N 0 1 239.282 2.237 20 0 BEADMN CCC(=O)N1CCN(CCC2CCCC2)CC1 ZINC000160236316 982538303 /nfs/dbraw/zinc/53/83/03/982538303.db2.gz BMHHKLRBOPOYTM-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN COc1ncc(-c2ccc3nc(N)[nH]c3c2)s1 ZINC001241414293 982560630 /nfs/dbraw/zinc/56/06/30/982560630.db2.gz NHHKLMHRPXRQMQ-UHFFFAOYSA-N 0 1 246.295 2.277 20 0 BEADMN Cc1cccc(NC(=O)N(C)Cc2cnc[nH]2)c1 ZINC001197785359 982593352 /nfs/dbraw/zinc/59/33/52/982593352.db2.gz FQDDJVOHOGQQKU-UHFFFAOYSA-N 0 1 244.298 2.382 20 0 BEADMN CN(C(=O)c1cccc(F)c1O)c1cccnc1 ZINC001353001996 982662009 /nfs/dbraw/zinc/66/20/09/982662009.db2.gz AFDULWPACDHVCK-UHFFFAOYSA-N 0 1 246.241 2.203 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001589198812 982664104 /nfs/dbraw/zinc/66/41/04/982664104.db2.gz BAWQLOUNAURUTP-AWEZNQCLSA-N 0 1 248.326 2.120 20 0 BEADMN CN(C)Cc1ccc(-c2cccc(CO)c2)nc1 ZINC001241509393 982665895 /nfs/dbraw/zinc/66/58/95/982665895.db2.gz SJKJDJPPLWODNT-UHFFFAOYSA-N 0 1 242.322 2.303 20 0 BEADMN OCc1cccc(-c2cc3[nH]nnc3cc2F)c1 ZINC001241509711 982667741 /nfs/dbraw/zinc/66/77/41/982667741.db2.gz PWYKHOHOCGMRDL-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CCC(=O)[O-] ZINC001589256886 982680828 /nfs/dbraw/zinc/68/08/28/982680828.db2.gz NYCOHROFGQXAKO-NEPJUHHUSA-N 0 1 225.332 2.385 20 0 BEADMN CCC[N@@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595837100 982746853 /nfs/dbraw/zinc/74/68/53/982746853.db2.gz URRRQHKSRPFCHQ-SSDOTTSWSA-N 0 1 228.317 2.244 20 0 BEADMN OCc1ccc(-c2ccc3cncn3c2)cc1 ZINC001241557684 982780651 /nfs/dbraw/zinc/78/06/51/982780651.db2.gz QBFALBILGVHAIA-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCCOC(C)(C)C ZINC001589441290 982786885 /nfs/dbraw/zinc/78/68/85/982786885.db2.gz NNPLAQXTWJIOHY-LLVKDONJSA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC001589445490 982800786 /nfs/dbraw/zinc/80/07/86/982800786.db2.gz PYOLLORYZRCBLR-NEPJUHHUSA-N 0 1 248.326 2.328 20 0 BEADMN CN1CCC=C(c2ncnc3ccc(F)cc32)C1 ZINC001241565605 982805127 /nfs/dbraw/zinc/80/51/27/982805127.db2.gz KXWDHLJQYGEMOA-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595863212 982806129 /nfs/dbraw/zinc/80/61/29/982806129.db2.gz XBDDEAWEERQUTI-NXEZZACHSA-N 0 1 249.301 2.320 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595863215 982806171 /nfs/dbraw/zinc/80/61/71/982806171.db2.gz XBDDEAWEERQUTI-ZJUUUORDSA-N 0 1 249.301 2.320 20 0 BEADMN COc1cnc(C2=CCCN(C)C2)c(C)c1 ZINC001241566026 982808295 /nfs/dbraw/zinc/80/82/95/982808295.db2.gz SCWMPDMNYQZBGK-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CCC=C(c2ncccc2[Si](C)(C)C)C1 ZINC001241567333 982811174 /nfs/dbraw/zinc/81/11/74/982811174.db2.gz WOHGGXRSLCTUNX-UHFFFAOYSA-N 0 1 246.430 2.346 20 0 BEADMN CN1CCC=C(c2cncc(C(F)(F)F)n2)C1 ZINC001241567285 982812079 /nfs/dbraw/zinc/81/20/79/982812079.db2.gz UJKINUSJMRWVPU-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CCc1nc(C)cc(C2=CCCN(C)C2)n1 ZINC001241569008 982817965 /nfs/dbraw/zinc/81/79/65/982817965.db2.gz ZCEKGAUQZCIWQQ-UHFFFAOYSA-N 0 1 217.316 2.066 20 0 BEADMN CN1CCC=C(c2ccc3[nH]cnc3c2F)C1 ZINC001241569902 982820267 /nfs/dbraw/zinc/82/02/67/982820267.db2.gz CKMOYAIXHHFTCF-UHFFFAOYSA-N 0 1 231.274 2.421 20 0 BEADMN Cc1ncc(-c2ccc3[nH]cnc3c2)cn1 ZINC001205847383 982823830 /nfs/dbraw/zinc/82/38/30/982823830.db2.gz RAAHYNQGJAKZSN-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC/C=C\CC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589627670 982850675 /nfs/dbraw/zinc/85/06/75/982850675.db2.gz ZLJMUWNARXJIJY-JYYSYOFASA-N 0 1 225.332 2.385 20 0 BEADMN CO[C@@H]1CCC[C@H]1C(=O)NOCc1ccccc1 ZINC001353379286 982850837 /nfs/dbraw/zinc/85/08/37/982850837.db2.gz YBCWSZPGHUWCTP-CHWSQXEVSA-N 0 1 249.310 2.050 20 0 BEADMN CCC[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C(C)C ZINC001595870373 982851823 /nfs/dbraw/zinc/85/18/23/982851823.db2.gz ISKZLAUWGXCGBE-LLVKDONJSA-N 0 1 241.331 2.254 20 0 BEADMN COc1cc(-c2cc3nc[nH]c3cn2)c(F)cn1 ZINC001241661337 982894740 /nfs/dbraw/zinc/89/47/40/982894740.db2.gz CKTBUYXQMJHXFP-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1[nH]nc2ccc(-c3cnc(F)nc3)cc12 ZINC001241668250 982900228 /nfs/dbraw/zinc/90/02/28/982900228.db2.gz AGOWKMDIWXEABP-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ccc(-c2ccc3n[nH]c(C)c3c2)nn1 ZINC001241665602 982900430 /nfs/dbraw/zinc/90/04/30/982900430.db2.gz GOACHRWXIYJZCJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2ccc(-c3ncncc3F)cc12 ZINC001241665787 982903539 /nfs/dbraw/zinc/90/35/39/982903539.db2.gz MOSGKESBSBUJAB-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1nccc(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241666292 982904528 /nfs/dbraw/zinc/90/45/28/982904528.db2.gz BHNUPWQNUVVFCJ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccn(C)c(=O)c3)cc12 ZINC001241669091 982910866 /nfs/dbraw/zinc/91/08/66/982910866.db2.gz ODUKYHFDBNHAFL-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cc1[nH]nc2ccc(-c3cncn3C)cc12 ZINC001241669656 982911840 /nfs/dbraw/zinc/91/18/40/982911840.db2.gz VBTPJQVCMRZRDJ-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1ccnnc1-c1ccc2[nH]cnc2c1 ZINC001241685135 982934212 /nfs/dbraw/zinc/93/42/12/982934212.db2.gz FLQKQOGLKHRUGL-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Nc1cn2ccc(-c3ccc4nc[nH]c4c3)cc2n1 ZINC001241692137 982943773 /nfs/dbraw/zinc/94/37/73/982943773.db2.gz YSMDLKVSPAICCI-UHFFFAOYSA-N 0 1 249.277 2.460 20 0 BEADMN FCc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241691359 982944922 /nfs/dbraw/zinc/94/49/22/982944922.db2.gz NIJWPLKSDLHRRH-UHFFFAOYSA-N 0 1 228.230 2.489 20 0 BEADMN CCOc1cc(-c2ccc3[nH]cnc3c2)ncn1 ZINC001241692787 982950094 /nfs/dbraw/zinc/95/00/94/982950094.db2.gz VBGBUERNBBPYDF-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN O=C1NCc2ccc(-c3ccc4nc[nH]c4c3)cc21 ZINC001241696431 982952385 /nfs/dbraw/zinc/95/23/85/982952385.db2.gz GSRKAVIRUVVNOX-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN CCn1ccc(-c2ccc3nc[nH]c3c2)cc1=O ZINC001241705093 982967505 /nfs/dbraw/zinc/96/75/05/982967505.db2.gz QBWPRYBBRSFDPO-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN c1nc2c(c(C3=CCCCC3)n1)CCNC2 ZINC001241714365 982971428 /nfs/dbraw/zinc/97/14/28/982971428.db2.gz AGGILHRACLCKQQ-UHFFFAOYSA-N 0 1 215.300 2.080 20 0 BEADMN C[C@H](NC(=O)c1[nH]nc2c1C[C@H](C)CC2)C1CC1 ZINC001353698786 982972403 /nfs/dbraw/zinc/97/24/03/982972403.db2.gz CRIXTUFXQPKITQ-BDAKNGLRSA-N 0 1 247.342 2.063 20 0 BEADMN Nc1n[nH]c2ccc(-c3ccc4cncn4c3)cc12 ZINC001241721842 983002508 /nfs/dbraw/zinc/00/25/08/983002508.db2.gz DCCDBVBEYTWCEH-UHFFFAOYSA-N 0 1 249.277 2.460 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001472028498 983014560 /nfs/dbraw/zinc/01/45/60/983014560.db2.gz FJYUWGLCHDSHJI-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN O=c1ccn(-c2ccc(Nc3cnoc3)cc2)[nH]1 ZINC001203246234 983034161 /nfs/dbraw/zinc/03/41/61/983034161.db2.gz CGSFKOMAXCFJOD-UHFFFAOYSA-N 0 1 242.238 2.310 20 0 BEADMN Fc1ccc(-c2cc3[nH]nnc3cc2F)nc1 ZINC001241808634 983066440 /nfs/dbraw/zinc/06/64/40/983066440.db2.gz QYJGEYDLFQHSBN-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN c1nc(-c2cccn3cncc23)cs1 ZINC001241892516 983109510 /nfs/dbraw/zinc/10/95/10/983109510.db2.gz IWXQIDMHWNVGME-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN c1nn(C2CC2)cc1-c1nccc2c1CCN2 ZINC001241903834 983114428 /nfs/dbraw/zinc/11/44/28/983114428.db2.gz BIAYQHAWMQOFJF-UHFFFAOYSA-N 0 1 226.283 2.248 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)nc(C)n1 ZINC001241938732 983148389 /nfs/dbraw/zinc/14/83/89/983148389.db2.gz SABAEAUZFNGPKU-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)nc(C)n1 ZINC001241938732 983148401 /nfs/dbraw/zinc/14/84/01/983148401.db2.gz SABAEAUZFNGPKU-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN COc1cc(Nc2ccc(N)nc2)ncc1C ZINC001201279959 983158910 /nfs/dbraw/zinc/15/89/10/983158910.db2.gz WOOKTPUQFOMGTN-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)c(F)cn1 ZINC001241942564 983159312 /nfs/dbraw/zinc/15/93/12/983159312.db2.gz WFAOSHWAWSIXLS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)c(F)cn1 ZINC001241942564 983159318 /nfs/dbraw/zinc/15/93/18/983159318.db2.gz WFAOSHWAWSIXLS-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1c(F)nccc1-c1ccc2nn[nH]c2c1 ZINC001241942385 983160098 /nfs/dbraw/zinc/16/00/98/983160098.db2.gz REAQVIUYMXZORU-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1c(F)nccc1-c1ccc2[nH]nnc2c1 ZINC001241942385 983160103 /nfs/dbraw/zinc/16/01/03/983160103.db2.gz REAQVIUYMXZORU-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN C=Cc1cccc(-c2ncnc3c2CNC3)c1 ZINC001241941914 983160922 /nfs/dbraw/zinc/16/09/22/983160922.db2.gz JZZHGOFMQWOPLP-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN Nc1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001241943139 983164440 /nfs/dbraw/zinc/16/44/40/983164440.db2.gz XMCUCSXMKGYQDW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001241943139 983164445 /nfs/dbraw/zinc/16/44/45/983164445.db2.gz XMCUCSXMKGYQDW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN C=Cc1cccc(-c2cnc(CN)nc2)c1 ZINC001241955949 983168935 /nfs/dbraw/zinc/16/89/35/983168935.db2.gz DWHWHZXCLBWFON-UHFFFAOYSA-N 0 1 211.268 2.245 20 0 BEADMN c1cc2n(n1)CCN(CC1CCCCC1)C2 ZINC001201401958 983202418 /nfs/dbraw/zinc/20/24/18/983202418.db2.gz VCERRQBOHGEHEK-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CN(Cc1ccc(-c2ncc[nH]2)nc1)C1CC1 ZINC001242015475 983210600 /nfs/dbraw/zinc/21/06/00/983210600.db2.gz DIUIPHRTBTXEQT-UHFFFAOYSA-N 0 1 228.299 2.066 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)c(F)c1F ZINC001242028477 983243713 /nfs/dbraw/zinc/24/37/13/983243713.db2.gz DADSQFAROQBMQR-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCNC(=O)[C@@H]1C ZINC001201489699 983259072 /nfs/dbraw/zinc/25/90/72/983259072.db2.gz FCSXDLQLOUXYTH-STQMWFEESA-N 0 1 238.375 2.189 20 0 BEADMN COC(=O)/C=C(/C)CN1CC(C)(C)C1(C)C ZINC001354437612 983306878 /nfs/dbraw/zinc/30/68/78/983306878.db2.gz KCIHDAPLUUTFCX-YFHOEESVSA-N 0 1 225.332 2.226 20 0 BEADMN CCN1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001201587540 983351752 /nfs/dbraw/zinc/35/17/52/983351752.db2.gz OJGHDQYWSOCLKW-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN Cc1noc(C)c1-c1cccc2[nH]nnc21 ZINC001242108783 983358679 /nfs/dbraw/zinc/35/86/79/983358679.db2.gz YDYFZZJQWWWYEH-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001593803784 983370174 /nfs/dbraw/zinc/37/01/74/983370174.db2.gz WWLGWEBJBPXKIT-LBPRGKRZSA-N 0 1 248.326 2.025 20 0 BEADMN COc1ccc(-c2[nH]ccc3ncnc2-3)cc1O ZINC001242170027 983385745 /nfs/dbraw/zinc/38/57/45/983385745.db2.gz BKUKLYPGTHOMQA-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1ccc(-c2nccc3[nH]cnc32)cc1O ZINC001242170027 983385755 /nfs/dbraw/zinc/38/57/55/983385755.db2.gz BKUKLYPGTHOMQA-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1nnc(-c2ccc(F)cc2O)cc1C ZINC001242216251 983408655 /nfs/dbraw/zinc/40/86/55/983408655.db2.gz RGINQSCJZYXBPV-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cn1cnc2cnc(-c3ccc(F)cc3O)cc21 ZINC001242215752 983411043 /nfs/dbraw/zinc/41/10/43/983411043.db2.gz JLSLGUUFGHLPIX-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN O=C1Cc2cnc(-c3ccc(F)cc3O)cc2N1 ZINC001242216295 983411143 /nfs/dbraw/zinc/41/11/43/983411143.db2.gz SHZVMKAOCKUKMB-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN CCOc1cncc(-c2ccc(F)cc2O)n1 ZINC001242215872 983411355 /nfs/dbraw/zinc/41/13/55/983411355.db2.gz AMOFSOMMBXVXEN-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Cn1ccc2c1ncnc2-c1ccc(F)cc1O ZINC001242215670 983411455 /nfs/dbraw/zinc/41/14/55/983411455.db2.gz FHIPGBOLLYLFLC-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Nc1cccnc1-c1ccc(F)cc1O ZINC001242216431 983412082 /nfs/dbraw/zinc/41/20/82/983412082.db2.gz UFPMDHJLWAWQTP-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN Cc1cnc(-c2ccc(F)cc2O)cn1 ZINC001242216397 983413640 /nfs/dbraw/zinc/41/36/40/983413640.db2.gz JLIFFISESIAYMF-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN CN(C)c1cc(-c2ccc(F)cc2O)ncn1 ZINC001242217250 983415019 /nfs/dbraw/zinc/41/50/19/983415019.db2.gz VUCMBCKDTWKGEO-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN COCc1nc(C)cc(-c2ccc(F)cc2O)n1 ZINC001242216920 983415143 /nfs/dbraw/zinc/41/51/43/983415143.db2.gz BEMACMZVEJCJQF-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN CN(C)c1ccc(-c2ccc(F)cc2O)nn1 ZINC001242216852 983416206 /nfs/dbraw/zinc/41/62/06/983416206.db2.gz NFKYKTHZHAPEOP-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CCCCCN1CC(N2CCC(F)(F)C2)C1 ZINC001201735152 983471856 /nfs/dbraw/zinc/47/18/56/983471856.db2.gz JRPOPRIYYSWERN-UHFFFAOYSA-N 0 1 232.318 2.202 20 0 BEADMN COc1ncc(-c2cc3cn[nH]c3cc2C)cn1 ZINC001242282176 983503030 /nfs/dbraw/zinc/50/30/30/983503030.db2.gz QDGXCQWBTVLTEV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001355585787 983524988 /nfs/dbraw/zinc/52/49/88/983524988.db2.gz HUFIJBLCKCRZSV-BXKDBHETSA-N 0 1 248.326 2.131 20 0 BEADMN CC(C)(C)CCN1CC(N2CCC(F)(F)C2)C1 ZINC001202086941 983550390 /nfs/dbraw/zinc/55/03/90/983550390.db2.gz NROQYXOUWNUZOL-UHFFFAOYSA-N 0 1 246.345 2.448 20 0 BEADMN COC[C@H](SCc1nnc[nH]1)c1ccccc1 ZINC001356046506 983560525 /nfs/dbraw/zinc/56/05/25/983560525.db2.gz TWJXSHGSPNYAQW-NSHDSACASA-N 0 1 249.339 2.426 20 0 BEADMN OCc1ccc(F)cc1-c1cc2[nH]cnc2cn1 ZINC001242339321 983585461 /nfs/dbraw/zinc/58/54/61/983585461.db2.gz KABMJTBIYYNALP-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN COC(=O)CCCN1Cc2cccc(C)c2C1 ZINC001202204888 983597298 /nfs/dbraw/zinc/59/72/98/983597298.db2.gz MOUWGJNHCHVPFU-UHFFFAOYSA-N 0 1 233.311 2.264 20 0 BEADMN CN(C)c1ccc(-c2cccc(F)c2O)nn1 ZINC001242348141 983608632 /nfs/dbraw/zinc/60/86/32/983608632.db2.gz NDYRSVUKCNFYDD-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CN(C)c1cc(-c2cccc(F)c2O)ncn1 ZINC001242348393 983609545 /nfs/dbraw/zinc/60/95/45/983609545.db2.gz SJCCEPYBZVDJBC-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CN(C)c1nccc(-c2cccc(F)c2O)n1 ZINC001242349551 983612327 /nfs/dbraw/zinc/61/23/27/983612327.db2.gz MIQNZMZVPMWPRW-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Cc1ccnc(-c2cccc(F)c2O)c1C(N)=O ZINC001242349791 983615893 /nfs/dbraw/zinc/61/58/93/983615893.db2.gz SXXCXUDHILOYRV-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN COCc1ccc(-c2cccc(F)c2O)nn1 ZINC001242350976 983621586 /nfs/dbraw/zinc/62/15/86/983621586.db2.gz MHHDLMYTSBRLPM-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Cc1cnn(C)c1CNc1ccc2nc[nH]c2c1 ZINC001202349558 983625896 /nfs/dbraw/zinc/62/58/96/983625896.db2.gz AORYGPCXNOBENH-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cn1cccc(-c2cccc(Cl)c2O)c1=O ZINC001242367162 983661801 /nfs/dbraw/zinc/66/18/01/983661801.db2.gz JYPLNJDJRXIDCJ-UHFFFAOYSA-N 0 1 235.670 2.411 20 0 BEADMN CCCC[C@H](O)CN[C@@H](C)c1cscn1 ZINC001252108685 983682246 /nfs/dbraw/zinc/68/22/46/983682246.db2.gz RBCAMAYBQAREDZ-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CO[C@H](C)C1C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC001137048850 983698835 /nfs/dbraw/zinc/69/88/35/983698835.db2.gz LQNNKSFCFNDIDP-SNVBAGLBSA-N 0 1 245.326 2.030 20 0 BEADMN CC(C)OC1CN(Cc2ccc3nc[nH]c3c2)C1 ZINC001137049077 983704891 /nfs/dbraw/zinc/70/48/91/983704891.db2.gz XLJXQEPLCJCVLK-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1ncc(-c2cccc3cncn32)cc1N ZINC001242413020 983724091 /nfs/dbraw/zinc/72/40/91/983724091.db2.gz NDUOENVRBBVZIH-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN COc1cc(-c2cc(N)c(C)cn2)c(OC)cn1 ZINC001242425881 983727261 /nfs/dbraw/zinc/72/72/61/983727261.db2.gz OUCCFIDTHZJGBW-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN Cc1nc(CN2CC[C@@H]3[C@H](C2)C3(F)F)[nH]c1C ZINC001473294513 983748207 /nfs/dbraw/zinc/74/82/07/983748207.db2.gz PQJZJYIQYITMAE-ZJUUUORDSA-N 0 1 241.285 2.114 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001596320655 983751307 /nfs/dbraw/zinc/75/13/07/983751307.db2.gz GKDBLONYBLTPPL-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN CCOC(=O)CN(C1CC1)[C@@H]1CC[C@@H](C)C1 ZINC000338955936 983754142 /nfs/dbraw/zinc/75/41/42/983754142.db2.gz ZJMUBEJKDHEPAP-ZYHUDNBSSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1c(N)ccnc1-c1cccc2c1OCCO2 ZINC001242467146 983789260 /nfs/dbraw/zinc/78/92/60/983789260.db2.gz PTMDUJZQVXLKIV-UHFFFAOYSA-N 0 1 242.278 2.410 20 0 BEADMN Nc1cncc(-c2cccc3nc[nH]c32)c1 ZINC001242498948 983821141 /nfs/dbraw/zinc/82/11/41/983821141.db2.gz JUIOYEUPANHCLC-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])n1C)C(C)(C)C ZINC001596357874 983830778 /nfs/dbraw/zinc/83/07/78/983830778.db2.gz PPHHGPMJOHFXFG-UHFFFAOYSA-N 0 1 238.331 2.344 20 0 BEADMN CN(C(=O)c1c(Cl)[nH]nc1C1CC1)C1CC1 ZINC000865020485 983845330 /nfs/dbraw/zinc/84/53/30/983845330.db2.gz YEUXQPLYRSGSQI-UHFFFAOYSA-N 0 1 239.706 2.175 20 0 BEADMN CC/C=C\CCN1CC(=O)NC[C@@H]1C(C)(C)C ZINC001473828269 983895239 /nfs/dbraw/zinc/89/52/39/983895239.db2.gz XYQJAFDAUWLBTF-ZHRWSRJISA-N 0 1 238.375 2.189 20 0 BEADMN CC[N@H+](Cc1ncc(C(=O)[O-])s1)CC1CC1 ZINC001596380438 983901488 /nfs/dbraw/zinc/90/14/88/983901488.db2.gz HTAVRRRMIGJCKK-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN F[C@@H]1CCN(Cc2ccccc2-n2cccn2)C1 ZINC001137093675 983937214 /nfs/dbraw/zinc/93/72/14/983937214.db2.gz ODAUKJPQUOHMDP-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1csc(CN2CCN(C3CC3)CC2)c1 ZINC001137152554 983978124 /nfs/dbraw/zinc/97/81/24/983978124.db2.gz SKJYBIXFQAJBDT-UHFFFAOYSA-N 0 1 236.384 2.337 20 0 BEADMN O=c1[nH]cc(-c2nccc3[nH]ccc32)cc1F ZINC001242613298 983985883 /nfs/dbraw/zinc/98/58/83/983985883.db2.gz VPDNIKMHMAWJNJ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN O=c1cccc(Nc2ccc3nccn3c2)[nH]1 ZINC001212787394 984017138 /nfs/dbraw/zinc/01/71/38/984017138.db2.gz YFIXTPDKVOHRAA-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN F[C@@H]1CN(CC2CCOCC2)CCC1(F)F ZINC001202551081 984029480 /nfs/dbraw/zinc/02/94/80/984029480.db2.gz HJDXMAPCZZDYHE-SNVBAGLBSA-N 0 1 237.265 2.092 20 0 BEADMN Cc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)o1 ZINC000717217685 984058116 /nfs/dbraw/zinc/05/81/16/984058116.db2.gz PRNOZTJSEFDUJY-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN CCCNC(=O)Nc1ccc(F)c(F)c1O ZINC001202596131 984117975 /nfs/dbraw/zinc/11/79/75/984117975.db2.gz RHLHWLNJOSJDGD-UHFFFAOYSA-N 0 1 230.214 2.202 20 0 BEADMN Nc1c(F)cc(-c2cc3[nH]cnc3cn2)cc1F ZINC001242838091 984185822 /nfs/dbraw/zinc/18/58/22/984185822.db2.gz QYHWMIZDUPDCGP-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN COC[C@@H]1CCN(Cc2cnccc2Cl)C1 ZINC001137231302 984198498 /nfs/dbraw/zinc/19/84/98/984198498.db2.gz JRTDYYHCHYADGD-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN COC[C@H]1CCN(Cc2cnccc2Cl)C1 ZINC001137231301 984198573 /nfs/dbraw/zinc/19/85/73/984198573.db2.gz JRTDYYHCHYADGD-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN CCN(Cc1cnccc1Cl)CC(C)(C)O ZINC001137237731 984200604 /nfs/dbraw/zinc/20/06/04/984200604.db2.gz HGLLEKQBDHLBMG-UHFFFAOYSA-N 0 1 242.750 2.328 20 0 BEADMN c1csc(-c2cnccc2N2CCOCC2)n1 ZINC001242897441 984257557 /nfs/dbraw/zinc/25/75/57/984257557.db2.gz ZSTDEUUYVMLSPE-UHFFFAOYSA-N 0 1 247.323 2.042 20 0 BEADMN Cc1ccc(-c2cncc3nc[nH]c32)nc1 ZINC001242905749 984275308 /nfs/dbraw/zinc/27/53/08/984275308.db2.gz ZYCCHTQJXZKGFC-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(-c2cncc3[nH]cnc32)nc1 ZINC001242905749 984275315 /nfs/dbraw/zinc/27/53/15/984275315.db2.gz ZYCCHTQJXZKGFC-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1nc2cc(-c3ccncn3)ccc2[nH]1 ZINC001242917249 984286817 /nfs/dbraw/zinc/28/68/17/984286817.db2.gz LPGSWUXXLZYNOC-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CSc1ccccc1-c1cnc(CN)nc1 ZINC001242946746 984310337 /nfs/dbraw/zinc/31/03/37/984310337.db2.gz VYYJLFHKNIUJJO-UHFFFAOYSA-N 0 1 231.324 2.324 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(F)cc(F)c1 ZINC001440736091 984436404 /nfs/dbraw/zinc/43/64/04/984436404.db2.gz DAMWYVGZOYIETH-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN Cn1cncc1-c1cc2nc[nH]c2cc1F ZINC001243069263 984486598 /nfs/dbraw/zinc/48/65/98/984486598.db2.gz DNNZGSGQSZIXEM-UHFFFAOYSA-N 0 1 216.219 2.103 20 0 BEADMN COc1cnccc1-c1nccc(N)c1C ZINC001243074403 984510702 /nfs/dbraw/zinc/51/07/02/984510702.db2.gz WTBQYWMJIHNDCL-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN COc1cnccc1-c1cccc2cncn21 ZINC001243075489 984512481 /nfs/dbraw/zinc/51/24/81/984512481.db2.gz JHIXDBFOMYWTGN-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN COc1cnccc1-c1cccn2cncc12 ZINC001243078105 984518460 /nfs/dbraw/zinc/51/84/60/984518460.db2.gz ULDBGQTUBGUCLW-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)C1CC1 ZINC000718999983 984582858 /nfs/dbraw/zinc/58/28/58/984582858.db2.gz IFVAUPAIOVNVAU-RXMQYKEDSA-N 0 1 214.652 2.013 20 0 BEADMN Cc1c(N)ccnc1-c1cccc(CO)c1F ZINC001243139565 984596187 /nfs/dbraw/zinc/59/61/87/984596187.db2.gz BOZXVQWHMGWHRK-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC001588945764 984654081 /nfs/dbraw/zinc/65/40/81/984654081.db2.gz MSMWTHTUZASOSA-PCYYEKQGSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCCc2occc2C1 ZINC001588949105 984671669 /nfs/dbraw/zinc/67/16/69/984671669.db2.gz OUNMUVJVLBLEHD-JXMROGBWSA-N 0 1 235.283 2.059 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@@H](C)Cc1ccncc1 ZINC001256745510 984805521 /nfs/dbraw/zinc/80/55/21/984805521.db2.gz MHPBWQQABRMFFA-WFASDCNBSA-N 0 1 246.354 2.456 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C)CCC2CC2)n[nH]1 ZINC001448154999 984807095 /nfs/dbraw/zinc/80/70/95/984807095.db2.gz ISWYPXCWCULODO-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nnc(-c2ccc(O)c(F)c2F)nc1C ZINC001243340553 984828708 /nfs/dbraw/zinc/82/87/08/984828708.db2.gz ZMHPXUBKRFVFAC-UHFFFAOYSA-N 0 1 237.209 2.139 20 0 BEADMN Cc1cccc(CN2CC3(CCN3C)C2)c1C ZINC001276228083 984831463 /nfs/dbraw/zinc/83/14/63/984831463.db2.gz GYSWJXJQSOUMSC-UHFFFAOYSA-N 0 1 230.355 2.193 20 0 BEADMN Oc1ccc(-c2cnc(F)cn2)c(F)c1F ZINC001243342539 984834085 /nfs/dbraw/zinc/83/40/85/984834085.db2.gz HSGUFQKTRBIGKL-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN CNc1ccnc(-c2ccc(O)c(F)c2F)n1 ZINC001243341373 984834532 /nfs/dbraw/zinc/83/45/32/984834532.db2.gz JHOIXYRUKYNYJV-UHFFFAOYSA-N 0 1 237.209 2.169 20 0 BEADMN Oc1ccc(-c2cn3ccnc3cn2)c(F)c1F ZINC001243342695 984834684 /nfs/dbraw/zinc/83/46/84/984834684.db2.gz OTELCLYWIPYINM-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CCC[C@H](C)NCc1nc(C(=O)OC)cs1 ZINC001257304984 984876841 /nfs/dbraw/zinc/87/68/41/984876841.db2.gz SKNRPILOEUKKIL-QMMMGPOBSA-N 0 1 242.344 2.208 20 0 BEADMN CCC[C@H](C)n1c(CN)nc2cnccc21 ZINC001257313098 984890097 /nfs/dbraw/zinc/89/00/97/984890097.db2.gz KOMFBRXIZVBMRW-VIFPVBQESA-N 0 1 218.304 2.251 20 0 BEADMN Cc1cc(CCC(=O)N2CC(C)(C)C[C@H]2C)n[nH]1 ZINC001451560971 984894425 /nfs/dbraw/zinc/89/44/25/984894425.db2.gz WTVLLOCTPDNFEU-LLVKDONJSA-N 0 1 249.358 2.298 20 0 BEADMN CCCCCC[C@@H](C)N1CC(=O)NC[C@H]1C ZINC001257368536 984929145 /nfs/dbraw/zinc/92/91/45/984929145.db2.gz NUQIEULGDMFPEA-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCCC[C@@H](C)N(C)CC(=O)OC ZINC001257368908 984938093 /nfs/dbraw/zinc/93/80/93/984938093.db2.gz QNSLRBPKARLECT-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN Cc1nc(-c2ccc(F)c(N)c2)nc2nc[nH]c21 ZINC001243451633 984950374 /nfs/dbraw/zinc/95/03/74/984950374.db2.gz RSCDFPUSVNKYBG-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN Nc1cc(-c2cccc3[nH]nnc32)ccc1F ZINC001243454651 984959748 /nfs/dbraw/zinc/95/97/48/984959748.db2.gz FPHPXKIZBCGFOH-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN OCc1ccc(-c2cccc3nc[nH]c32)cn1 ZINC001243466140 984984530 /nfs/dbraw/zinc/98/45/30/984984530.db2.gz SMCJHLQHDIGPET-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN Cc1nc2ccc(-c3ccc(CO)nc3)cc2[nH]1 ZINC001243466864 984994406 /nfs/dbraw/zinc/99/44/06/984994406.db2.gz FNOUYRLWZSXVMA-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN OCc1ccc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001243470347 985010434 /nfs/dbraw/zinc/01/04/34/985010434.db2.gz VUJSEUCKAOQDFM-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Nc1ncccc1-c1cccc2nc[nH]c21 ZINC001243472283 985017347 /nfs/dbraw/zinc/01/73/47/985017347.db2.gz HCYVRGLOECJNPY-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1ccnc(F)c1-c1nc2nc[nH]c2c(C)n1 ZINC001243554241 985114323 /nfs/dbraw/zinc/11/43/23/985114323.db2.gz LRHACJDSQUSVPC-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN CCC=C(C)C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001456249770 985128282 /nfs/dbraw/zinc/12/82/82/985128282.db2.gz QESAFHRIEBULLV-UXBLZVDNSA-N 0 1 247.342 2.261 20 0 BEADMN Cc1ncccc1NC(=O)c1cccc(F)c1O ZINC001456930401 985181749 /nfs/dbraw/zinc/18/17/49/985181749.db2.gz BEIDUZCKVDDWPE-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CSC=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001457152767 985194602 /nfs/dbraw/zinc/19/46/02/985194602.db2.gz WPBLNENROHBCCK-WAYWQWQTSA-N 0 1 248.311 2.082 20 0 BEADMN Cc1c(F)nccc1-c1cc2[nH]cnc2cn1 ZINC001243776063 985312286 /nfs/dbraw/zinc/31/22/86/985312286.db2.gz NEDVTRQFUMPEII-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCCCCCN(CC)[C@H](C)CS(C)(=O)=O ZINC000077312890 985447157 /nfs/dbraw/zinc/44/71/57/985447157.db2.gz MJKSAHBOQDHVMG-GFCCVEGCSA-N 0 1 249.420 2.322 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001599940140 985444108 /nfs/dbraw/zinc/44/41/08/985444108.db2.gz OOSBVFWSQLNQAW-JTQLQIEISA-N 0 1 229.396 2.193 20 0 BEADMN CCOc1ccc2c(c1)CN([C@@H]1CCOC1)CC2 ZINC001459362759 985472753 /nfs/dbraw/zinc/47/27/53/985472753.db2.gz FNDBPMKXALZTIF-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccco2)nn1C ZINC000688058377 985540179 /nfs/dbraw/zinc/54/01/79/985540179.db2.gz OWOPVITUPZAHFP-JTQLQIEISA-N 0 1 233.315 2.042 20 0 BEADMN CSCC[C@@H](C)NCc1nccnc1Cl ZINC001258197908 985592225 /nfs/dbraw/zinc/59/22/25/985592225.db2.gz BEHYRJOVVQTYRC-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN COc1nc(C)cc(-c2cccc3nc[nH]c32)n1 ZINC001243932027 985605569 /nfs/dbraw/zinc/60/55/69/985605569.db2.gz YZPLJQXMQYSCTQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)(C)c1ncc(C2=CNCCC2)cn1 ZINC001243950950 985650463 /nfs/dbraw/zinc/65/04/63/985650463.db2.gz APYVZCDYUCBHAO-UHFFFAOYSA-N 0 1 217.316 2.498 20 0 BEADMN Cc1nc2cc(C3=CNCCC3)cnc2o1 ZINC001243954243 985664955 /nfs/dbraw/zinc/66/49/55/985664955.db2.gz SUECZXVYRUHQHT-UHFFFAOYSA-N 0 1 215.256 2.256 20 0 BEADMN CCOC(=O)c1cnc(C)c(C2=CNCCC2)c1 ZINC001243953133 985665606 /nfs/dbraw/zinc/66/56/06/985665606.db2.gz VWJBINVPASDFRO-UHFFFAOYSA-N 0 1 246.310 2.291 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1cccnc1N ZINC001459932586 985671485 /nfs/dbraw/zinc/67/14/85/985671485.db2.gz LFMCBQIGRNTPER-LLVKDONJSA-N 0 1 242.326 2.218 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OC(C)(C)C)[C@@H]1C ZINC001459985772 985694684 /nfs/dbraw/zinc/69/46/84/985694684.db2.gz OIGDYJCOOVGPAL-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN Oc1cccc(Cl)c1-c1nccc2n[nH]nc21 ZINC001244026623 985758617 /nfs/dbraw/zinc/75/86/17/985758617.db2.gz LJHVWNIFVCWHQX-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN c1ncn2c1cccc2-c1cnc2nccnc2c1 ZINC001244052308 985786479 /nfs/dbraw/zinc/78/64/79/985786479.db2.gz YCDZHKGGJNQGQH-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN Cc1[nH]c(C[N@@H+](C)CCC2CC2)cc1C(=O)[O-] ZINC001599962121 985803918 /nfs/dbraw/zinc/80/39/18/985803918.db2.gz LNTWDFWKFKLUOA-UHFFFAOYSA-N 0 1 236.315 2.253 20 0 BEADMN Nc1cncc(-c2cc(F)c(O)c(F)c2)c1 ZINC001244094399 985809190 /nfs/dbraw/zinc/80/91/90/985809190.db2.gz QJYDWHGXGKLTCC-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CSC(C)(C)C[C@H](C)N1CCC12COC2 ZINC001258341508 985814376 /nfs/dbraw/zinc/81/43/76/985814376.db2.gz LKGZKOUFQATBQA-JTQLQIEISA-N 0 1 229.389 2.381 20 0 BEADMN COC1CCC(=Nc2ccnc(C)n2)CC1 ZINC001212871975 985815368 /nfs/dbraw/zinc/81/53/68/985815368.db2.gz IOTMNHZOMAFGEG-LLVKDONJSA-N 0 1 219.288 2.280 20 0 BEADMN COC1CCC(=Nc2cnc(C)cn2)CC1 ZINC001212872235 985817787 /nfs/dbraw/zinc/81/77/87/985817787.db2.gz QIZHUOYAUMQZOJ-NSHDSACASA-N 0 1 219.288 2.280 20 0 BEADMN COC1CCC(=Nc2cnc(C)cn2)CC1 ZINC001212872234 985818292 /nfs/dbraw/zinc/81/82/92/985818292.db2.gz QIZHUOYAUMQZOJ-LLVKDONJSA-N 0 1 219.288 2.280 20 0 BEADMN CO[C@@H]1CC=C(Nc2ccnc(CO)c2)CC1 ZINC001212875574 985833723 /nfs/dbraw/zinc/83/37/23/985833723.db2.gz QNGHCFHMBOLLJR-CYBMUJFWSA-N 0 1 234.299 2.069 20 0 BEADMN COC(=O)CC[C@H](C)N1CCC[C@@](C)(F)C1 ZINC001258366704 985849743 /nfs/dbraw/zinc/84/97/43/985849743.db2.gz VIJZSSHGDGKXEC-CMPLNLGQSA-N 0 1 231.311 2.152 20 0 BEADMN Cc1ccc(CCN2CCn3nccc3C2)cc1 ZINC001460499866 985857062 /nfs/dbraw/zinc/85/70/62/985857062.db2.gz IOMCIKFSCJZEQW-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000300246547 985936084 /nfs/dbraw/zinc/93/60/84/985936084.db2.gz NHPNOZZQBAESKE-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN COc1nscc1CN[C@@H](C)C(C)(C)OC ZINC000720135014 986033607 /nfs/dbraw/zinc/03/36/07/986033607.db2.gz ANKZLFKCQNIURT-QMMMGPOBSA-N 0 1 244.360 2.055 20 0 BEADMN Cc1cccc([C@H](O)CNCc2nccs2)c1 ZINC001461334565 986042124 /nfs/dbraw/zinc/04/21/24/986042124.db2.gz REIAHTGCAKNBKH-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CCC1(F)F ZINC001594528740 986102780 /nfs/dbraw/zinc/10/27/80/986102780.db2.gz QDDBJEKKXSBXLI-VIFPVBQESA-N 0 1 249.301 2.464 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)cs1 ZINC001461832972 986197393 /nfs/dbraw/zinc/19/73/93/986197393.db2.gz CFUZNEAEQOZWFK-HBNTYKKESA-N 0 1 238.356 2.115 20 0 BEADMN Cc1ccoc1COC(=O)C1(N)CC2(CCC2)C1 ZINC001579814827 986237567 /nfs/dbraw/zinc/23/75/67/986237567.db2.gz OVNLLIRWZJOPAQ-UHFFFAOYSA-N 0 1 249.310 2.293 20 0 BEADMN OCc1c(F)cccc1-c1cc2[nH]cnc2cn1 ZINC001244560602 986248464 /nfs/dbraw/zinc/24/84/64/986248464.db2.gz ZTFZAPSPTRKHSD-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C[C@H]1CCC[C@@H](N2CCc3ncn(C)c3C2)C1 ZINC001258825894 986287619 /nfs/dbraw/zinc/28/76/19/986287619.db2.gz ANTUDIBDASNNCD-NWDGAFQWSA-N 0 1 233.359 2.357 20 0 BEADMN CO[C@H]1CCN(Cc2ncccc2F)C[C@H]1C ZINC001462253631 986317171 /nfs/dbraw/zinc/31/71/71/986317171.db2.gz CZYAKOCIQAKKFN-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN C/C=C\CNCc1csc(C(=O)OC)c1 ZINC000689130221 986328413 /nfs/dbraw/zinc/32/84/13/986328413.db2.gz PMNMONLILSTOCK-ARJAWSKDSA-N 0 1 225.313 2.200 20 0 BEADMN Cc1ccc2c(n[nH]c2NC[C@H](O)C(C)(C)C)n1 ZINC001253717890 986338667 /nfs/dbraw/zinc/33/86/67/986338667.db2.gz PRKARANMPSDSQS-JTQLQIEISA-N 0 1 248.330 2.085 20 0 BEADMN OCc1cc(-c2cccn3cncc23)ccc1O ZINC001244777562 986342536 /nfs/dbraw/zinc/34/25/36/986342536.db2.gz IRVVGMAGXUKODE-UHFFFAOYSA-N 0 1 240.262 2.199 20 0 BEADMN Cc1ncc(CNC2(CF)CCOCC2)s1 ZINC001461544980 986362746 /nfs/dbraw/zinc/36/27/46/986362746.db2.gz ACFWRWNQIKXNSQ-UHFFFAOYSA-N 0 1 244.335 2.060 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccn1C(F)F ZINC001462425577 986381478 /nfs/dbraw/zinc/38/14/78/986381478.db2.gz JMUIGENFPGDLOZ-UHFFFAOYSA-N 0 1 240.257 2.238 20 0 BEADMN Cc1cccc2ncc(NC[C@H](O)C(C)C)n21 ZINC001253757021 986385711 /nfs/dbraw/zinc/38/57/11/986385711.db2.gz GRWNNLLHOQLXHX-NSHDSACASA-N 0 1 233.315 2.072 20 0 BEADMN COc1ncc(-c2ccc3nc[nH]c3c2)cc1O ZINC001244847604 986398411 /nfs/dbraw/zinc/39/84/11/986398411.db2.gz YOXVIRUJFVTVDD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CN(C)Cc1cccc(-c2ccc(F)nn2)c1F ZINC001244863632 986404278 /nfs/dbraw/zinc/40/42/78/986404278.db2.gz LGOBEQCSDIPQLX-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN CCCNC(=S)Nc1cc(O)c(F)c(F)c1 ZINC001244890401 986417390 /nfs/dbraw/zinc/41/73/90/986417390.db2.gz XUOIPOHQNFYQED-UHFFFAOYSA-N 0 1 246.282 2.367 20 0 BEADMN CCCc1nnc(-c2c[nH]nc2CCC)o1 ZINC001254000243 986461751 /nfs/dbraw/zinc/46/17/51/986461751.db2.gz IZSDAINVQDWZPZ-UHFFFAOYSA-N 0 1 220.276 2.365 20 0 BEADMN FC(F)(F)c1cc(-c2nnc(C3CC3)o2)[nH]n1 ZINC001254102007 986510950 /nfs/dbraw/zinc/51/09/50/986510950.db2.gz BPUYKMMEEDWMMS-UHFFFAOYSA-N 0 1 244.176 2.356 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cccc(F)c1 ZINC001463668240 986572277 /nfs/dbraw/zinc/57/22/77/986572277.db2.gz UEOQKXASJOACCC-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN Cc1c(F)ccc(F)c1-c1cc2c(nn1)CNC2 ZINC001244982563 986577684 /nfs/dbraw/zinc/57/76/84/986577684.db2.gz QJTUGZPDKCPFAQ-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN C[C@H]1CC[C@@H](NCc2ccon2)CS1 ZINC000689414898 986590434 /nfs/dbraw/zinc/59/04/34/986590434.db2.gz XQCWXIYBFFPBFM-WCBMZHEXSA-N 0 1 212.318 2.048 20 0 BEADMN Cc1cc(CCC(=O)N(C(C)C)C2CC2)n[nH]1 ZINC001464766765 986657865 /nfs/dbraw/zinc/65/78/65/986657865.db2.gz ARCBZYYKGGXECP-UHFFFAOYSA-N 0 1 235.331 2.050 20 0 BEADMN NCc1ncc(-c2cc(F)ccc2Cl)cn1 ZINC001245132170 986671476 /nfs/dbraw/zinc/67/14/76/986671476.db2.gz MNHHZXHCBKNNMD-UHFFFAOYSA-N 0 1 237.665 2.395 20 0 BEADMN COc1cc2[nH]cnc2cc1C1=CCCOC1 ZINC001245160481 986708996 /nfs/dbraw/zinc/70/89/96/986708996.db2.gz KVZSMTJVDNRVQX-UHFFFAOYSA-N 0 1 230.267 2.375 20 0 BEADMN C[C@H]1CCN(Cc2c(F)ccc(N)c2F)C1 ZINC000381028006 986729902 /nfs/dbraw/zinc/72/99/02/986729902.db2.gz YQNIPOVPWCTIPQ-QMMMGPOBSA-N 0 1 226.270 2.389 20 0 BEADMN C[C@@H](Cc1cccs1)N(C)C(=O)c1cnc[nH]1 ZINC001465692018 986731198 /nfs/dbraw/zinc/73/11/98/986731198.db2.gz FBWABAKLPYOLEM-VIFPVBQESA-N 0 1 249.339 2.174 20 0 BEADMN COCn1cc(-c2ccc3[nH]c(C)nc3c2)cn1 ZINC001245219699 986741341 /nfs/dbraw/zinc/74/13/41/986741341.db2.gz WAQRIKHFXQIHJX-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN Cc1cc(C)c(CN2CC3(CSC3)C2)[nH]1 ZINC001137332533 986798255 /nfs/dbraw/zinc/79/82/55/986798255.db2.gz XZMBLZWTRJONAF-UHFFFAOYSA-N 0 1 222.357 2.180 20 0 BEADMN C[C@@H]1CC(=O)CCN1Cc1[nH]nc2ccccc21 ZINC001137345123 986810865 /nfs/dbraw/zinc/81/08/65/986810865.db2.gz SZNCPKJZMCSJQN-SNVBAGLBSA-N 0 1 243.310 2.116 20 0 BEADMN CN(C)c1ccnc(-c2cc3ccc[nH]c-3n2)n1 ZINC001245396702 986835711 /nfs/dbraw/zinc/83/57/11/986835711.db2.gz CIGDLIYOXJNHIM-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001245401099 986840947 /nfs/dbraw/zinc/84/09/47/986840947.db2.gz XRHMVANTBCIJNV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Nc1cccc(CNc2cccc3[nH]nnc32)c1 ZINC001580456872 986856942 /nfs/dbraw/zinc/85/69/42/986856942.db2.gz FWMMCZQAEPUJHN-UHFFFAOYSA-N 0 1 239.282 2.152 20 0 BEADMN C/C=C(/C)C(=O)NCCCN(C)C/C=C\Cl ZINC001265821800 986860891 /nfs/dbraw/zinc/86/08/91/986860891.db2.gz AAFSILZSHVTUAG-QXOCYMRCSA-N 0 1 244.766 2.143 20 0 BEADMN Cc1cc(CCC(=O)NC[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC001467732673 986867302 /nfs/dbraw/zinc/86/73/02/986867302.db2.gz HMSRTPKPBUSGDA-ZYHUDNBSSA-N 0 1 249.358 2.203 20 0 BEADMN COc1cc(-c2[nH]ccc3ncnc2-3)ccc1N ZINC001245498630 986876852 /nfs/dbraw/zinc/87/68/52/986876852.db2.gz JITXHZQAXHHDPP-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1cccc(C2(N[C@H]3CCSC3)COC2)c1 ZINC001255271377 986879883 /nfs/dbraw/zinc/87/98/83/986879883.db2.gz WTAISEUJVUIUIH-ZDUSSCGKSA-N 0 1 249.379 2.316 20 0 BEADMN Cc1cc2c(cn1)CN([C@@H]1CCSC1)C2 ZINC001255289673 986887584 /nfs/dbraw/zinc/88/75/84/986887584.db2.gz AEQNEGKIFRQCOR-GFCCVEGCSA-N 0 1 220.341 2.211 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@H]1CCSC1 ZINC001255290529 986891607 /nfs/dbraw/zinc/89/16/07/986891607.db2.gz GWIZEEMWCXRRQW-QWRGUYRKSA-N 0 1 222.357 2.370 20 0 BEADMN C/C=C(/C)C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001468311126 986904875 /nfs/dbraw/zinc/90/48/75/986904875.db2.gz OVTYAXXCXGOVQZ-CLTKARDFSA-N 0 1 231.255 2.173 20 0 BEADMN Cc1cc(-c2cccn3cncc23)cnc1N ZINC001245540130 986926354 /nfs/dbraw/zinc/92/63/54/986926354.db2.gz OIQOSAMWZSMYSD-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN CCCC[C@H](C)N1CCC(S(C)(=O)=O)CC1 ZINC001255329635 986926741 /nfs/dbraw/zinc/92/67/41/986926741.db2.gz NQVHQUPXRSXMDN-NSHDSACASA-N 0 1 247.404 2.074 20 0 BEADMN Cc1cc(-c2cc3[nH]nnc3cc2F)cnc1N ZINC001245539595 986928387 /nfs/dbraw/zinc/92/83/87/986928387.db2.gz WNSQDVRFOMSGMT-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN CCCC[C@@H](C)N1CCC(S(C)(=O)=O)CC1 ZINC001255329631 986929121 /nfs/dbraw/zinc/92/91/21/986929121.db2.gz NQVHQUPXRSXMDN-LLVKDONJSA-N 0 1 247.404 2.074 20 0 BEADMN CN(C)c1ccnc(-c2cnc(N)c(Cl)c2)c1 ZINC001245561725 986958213 /nfs/dbraw/zinc/95/82/13/986958213.db2.gz OTUBOEFXJLZVBJ-UHFFFAOYSA-N 0 1 248.717 2.445 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C[C@H]2CCCC[C@H]21 ZINC001469829909 987001132 /nfs/dbraw/zinc/00/11/32/987001132.db2.gz PJBSBENCPCRPOS-ZYHUDNBSSA-N 0 1 245.326 2.302 20 0 BEADMN NCc1ncc(-c2cccc3ccoc32)cn1 ZINC001245617219 987002649 /nfs/dbraw/zinc/00/26/49/987002649.db2.gz UILXIIULPBWSQP-UHFFFAOYSA-N 0 1 225.251 2.349 20 0 BEADMN Nc1cc(-c2cc(O)c(F)c(F)c2F)ccn1 ZINC001245637869 987013598 /nfs/dbraw/zinc/01/35/98/987013598.db2.gz ZZDVWSNEROXYPA-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Nc1cncc(-c2cc(O)c(F)c(F)c2F)c1 ZINC001245636914 987014128 /nfs/dbraw/zinc/01/41/28/987014128.db2.gz FHQYMHZGGVENLL-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN CCOc1cncc(-c2c(O)cccc2F)n1 ZINC001245650505 987015009 /nfs/dbraw/zinc/01/50/09/987015009.db2.gz DUZZNHJXSSYSQG-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN O=C1Cc2ccc(-c3c(O)cccc3F)nc2N1 ZINC001245651765 987017914 /nfs/dbraw/zinc/01/79/14/987017914.db2.gz HAPPTCKRMYJFTP-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN COCc1nccnc1-c1c(O)cccc1F ZINC001245652139 987021616 /nfs/dbraw/zinc/02/16/16/987021616.db2.gz QJURLPLPXMQYLH-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Cn1cnc2ccc(-c3c(O)cccc3F)nc21 ZINC001245654849 987035275 /nfs/dbraw/zinc/03/52/75/987035275.db2.gz SHLHNOPQPDMFLR-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Oc1cccc(F)c1-c1nccn2ccnc12 ZINC001245656903 987037860 /nfs/dbraw/zinc/03/78/60/987037860.db2.gz XOMWITFWEAPIIU-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H]1CCCCC1=O ZINC001255639151 987038209 /nfs/dbraw/zinc/03/82/09/987038209.db2.gz SDFVWYKJUAEAET-SFYZADRCSA-N 0 1 223.238 2.429 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCCOCC1 ZINC001255645698 987044998 /nfs/dbraw/zinc/04/49/98/987044998.db2.gz HPZSNJSZSAMIND-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN C[C@@H](CC(F)(F)F)N1C[C@H]2CC[C@@H](C1)C2=O ZINC001255655690 987046957 /nfs/dbraw/zinc/04/69/57/987046957.db2.gz MRBATJBBXFYEBE-XHNCKOQMSA-N 0 1 235.249 2.238 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2CCn3ccnc32)CS1 ZINC000689578817 987065202 /nfs/dbraw/zinc/06/52/02/987065202.db2.gz CNQSJDXVDAXJBR-MXWKQRLJSA-N 0 1 237.372 2.202 20 0 BEADMN C/C=C(\C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000751382842 987093661 /nfs/dbraw/zinc/09/36/61/987093661.db2.gz ZEBPJEBRTHIBLQ-XCVCLJGOSA-N 0 1 242.282 2.172 20 0 BEADMN c1cc2ncnc(-c3ccc4cncn4c3)c2[nH]1 ZINC001245894174 987103069 /nfs/dbraw/zinc/10/30/69/987103069.db2.gz GKZTVNHDXQZXEP-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1cc(C)nc(-c2ccc3cncn3c2)n1 ZINC001245893606 987103911 /nfs/dbraw/zinc/10/39/11/987103911.db2.gz DHWDMEGFFXLXRF-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN COc1ncc(-c2ccc3cncn3c2)c(C)n1 ZINC001245895935 987106953 /nfs/dbraw/zinc/10/69/53/987106953.db2.gz GSMVYOMNMKAISX-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN CCc1nccc(-c2ccc3cncn3c2)n1 ZINC001245895196 987111606 /nfs/dbraw/zinc/11/16/06/987111606.db2.gz QODVWSGKNSAAPP-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CCC(=O)CC[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001594695350 987114453 /nfs/dbraw/zinc/11/44/53/987114453.db2.gz FOXRYBMINXYDKR-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN CCC(=O)CC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001594695350 987114454 /nfs/dbraw/zinc/11/44/54/987114454.db2.gz FOXRYBMINXYDKR-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN Cc1nc(-c2ccc3cncn3c2)ncc1F ZINC001245896977 987118625 /nfs/dbraw/zinc/11/86/25/987118625.db2.gz WWJBTFJMMBWXKR-UHFFFAOYSA-N 0 1 228.230 2.239 20 0 BEADMN CCc1ncncc1-c1ccc2cncn2c1 ZINC001245896730 987119613 /nfs/dbraw/zinc/11/96/13/987119613.db2.gz VFIHABMZRIXDCT-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN Cc1ncc(-c2ccc3cncn3c2)c(C)n1 ZINC001245897348 987121131 /nfs/dbraw/zinc/12/11/31/987121131.db2.gz ZMIGPGGMZVZJQA-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN CCOc1nccc(-c2ccc3cncn3c2)n1 ZINC001245896359 987121208 /nfs/dbraw/zinc/12/12/08/987121208.db2.gz PQVXNBNUICUQHD-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN Cc1cn2cc(-c3ccc4cncn4c3)ncc2n1 ZINC001245896745 987122338 /nfs/dbraw/zinc/12/23/38/987122338.db2.gz PISBDDWRMNDFDV-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN c1cn2c(cncc2-c2ccc3cncn3c2)n1 ZINC001245896849 987125383 /nfs/dbraw/zinc/12/53/83/987125383.db2.gz SFHMNQVOJGBXPZ-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCOc1cc(-c2ccc3cncn3c2)ncn1 ZINC001245898098 987127050 /nfs/dbraw/zinc/12/70/50/987127050.db2.gz KPCGIVRRJJDKDG-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)c2ncnn2c1 ZINC001245898344 987128215 /nfs/dbraw/zinc/12/82/15/987128215.db2.gz PXKFHOBLMUSCQE-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN c1nc2c(-c3ccc4cncn4c3)cccn2n1 ZINC001245898414 987128962 /nfs/dbraw/zinc/12/89/62/987128962.db2.gz RQDDQFBSIDPTPQ-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN O=C1Cc2c(cccc2-c2ccc3cncn3c2)N1 ZINC001245898394 987131097 /nfs/dbraw/zinc/13/10/97/987131097.db2.gz QSNOPKYVYVKBLV-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN c1ncn2cc(-c3nnc4ccccc4n3)ccc12 ZINC001245898515 987131593 /nfs/dbraw/zinc/13/15/93/987131593.db2.gz QNQTUZORWICPNB-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN CCc1cc(=O)n(-c2c(F)cccc2F)[nH]1 ZINC001245918537 987140132 /nfs/dbraw/zinc/14/01/32/987140132.db2.gz ZBUPSPSFYXMPFJ-UHFFFAOYSA-N 0 1 224.210 2.419 20 0 BEADMN CCc1cc(=O)n(Cc2cccc(OC)c2)[nH]1 ZINC001245916199 987144039 /nfs/dbraw/zinc/14/40/39/987144039.db2.gz CHCSKLRHBAVUHZ-UHFFFAOYSA-N 0 1 232.283 2.208 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccc(F)nc2)[nH]1 ZINC001245917627 987149885 /nfs/dbraw/zinc/14/98/85/987149885.db2.gz NRDHQRGVKHAEGS-UHFFFAOYSA-N 0 1 221.235 2.235 20 0 BEADMN Cc1cccc(C2=NN(CCCCO)C(=O)C2)c1 ZINC001245918329 987161261 /nfs/dbraw/zinc/16/12/61/987161261.db2.gz RFNHYPNPYBWENA-UHFFFAOYSA-N 0 1 246.310 2.337 20 0 BEADMN CCn1[nH]c(C2CC(F)(F)C2)cc1=O ZINC001245925689 987166121 /nfs/dbraw/zinc/16/61/21/987166121.db2.gz ZVSVCOYJGXLIOJ-UHFFFAOYSA-N 0 1 202.204 2.121 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1Cc1ccccn1 ZINC001245926595 987178196 /nfs/dbraw/zinc/17/81/96/987178196.db2.gz YZOSCQQCWKISSP-UHFFFAOYSA-N 0 1 229.283 2.300 20 0 BEADMN O=c1cc(CO)[nH]n1-c1cccc2ccccc21 ZINC001245926025 987178903 /nfs/dbraw/zinc/17/89/03/987178903.db2.gz PFYLWBVQSKPBRM-UHFFFAOYSA-N 0 1 240.262 2.223 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1ccncc1 ZINC001245926113 987180533 /nfs/dbraw/zinc/18/05/33/987180533.db2.gz QCIKKTZIUHYELA-UHFFFAOYSA-N 0 1 215.256 2.240 20 0 BEADMN CC1(C(=O)Nc2ccc3cncn3c2)CCC1 ZINC001472134344 987188563 /nfs/dbraw/zinc/18/85/63/987188563.db2.gz WGNYFXVAWJVMIL-UHFFFAOYSA-N 0 1 229.283 2.463 20 0 BEADMN O=C(Cc1ccco1)Nc1ccc2cncn2c1 ZINC001472134576 987191792 /nfs/dbraw/zinc/19/17/92/987191792.db2.gz YSBHZBDSAYCJRS-UHFFFAOYSA-N 0 1 241.250 2.109 20 0 BEADMN Cc1cc(C)cc(Cc2cc(=O)n(C)[nH]2)c1 ZINC001245935923 987197153 /nfs/dbraw/zinc/19/71/53/987197153.db2.gz QGNGICPPSSEBRY-UHFFFAOYSA-N 0 1 216.284 2.333 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1-c1ccc(F)nc1 ZINC001245935859 987197134 /nfs/dbraw/zinc/19/71/34/987197134.db2.gz DIISNAHZTIRVLB-UHFFFAOYSA-N 0 1 247.273 2.455 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1Cc1ccccn1 ZINC001245935793 987197193 /nfs/dbraw/zinc/19/71/93/987197193.db2.gz BTOPTSLYFCNDOK-UHFFFAOYSA-N 0 1 243.310 2.375 20 0 BEADMN COCCc1cc(=O)n(-c2cccc(C)c2C)[nH]1 ZINC001245939237 987213681 /nfs/dbraw/zinc/21/36/81/987213681.db2.gz GKANNALURDWJBR-UHFFFAOYSA-N 0 1 246.310 2.384 20 0 BEADMN CCCN1N=C(c2ccc(O)cc2)CC1=O ZINC001245942450 987220471 /nfs/dbraw/zinc/22/04/71/987220471.db2.gz WKOQBRTUEICICW-UHFFFAOYSA-N 0 1 218.256 2.371 20 0 BEADMN Nc1cccc(C2=NN(C3CC3)C(=O)C2)c1 ZINC001245948290 987222790 /nfs/dbraw/zinc/22/27/90/987222790.db2.gz ITCIPSWKWLSASO-UHFFFAOYSA-N 0 1 215.256 2.173 20 0 BEADMN Cc1cc(C)cc(C2=NN(CCCO)C(=O)C2)c1 ZINC001245948971 987227829 /nfs/dbraw/zinc/22/78/29/987227829.db2.gz KJHMVUBMSPDXPQ-UHFFFAOYSA-N 0 1 246.310 2.255 20 0 BEADMN C[C@H](CO)[C@@H]1CCCCN1Cc1cscn1 ZINC000696706557 987343572 /nfs/dbraw/zinc/34/35/72/987343572.db2.gz YTVKXYJHWJFKLX-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN C/C(=C/C[N@@H+]1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000696414781 987344897 /nfs/dbraw/zinc/34/48/97/987344897.db2.gz GCSCTLSNQWDEMC-PTDYZRSTSA-N 0 1 233.258 2.137 20 0 BEADMN C[C@@H]1CN(CC2=NOCC2)[C@@H]1c1ccccc1 ZINC001473208407 987372701 /nfs/dbraw/zinc/37/27/01/987372701.db2.gz OMOZFTHZSYJXQR-RISCZKNCSA-N 0 1 230.311 2.456 20 0 BEADMN COc1cccc([C@@H](C)NCC2=NOCC2)c1 ZINC001473327818 987396812 /nfs/dbraw/zinc/39/68/12/987396812.db2.gz XLKOTWQONSJHQE-SNVBAGLBSA-N 0 1 234.299 2.122 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H](C)c2ccco2)n1 ZINC001116126551 987451436 /nfs/dbraw/zinc/45/14/36/987451436.db2.gz RZEIQVAKXOVMEW-QMMMGPOBSA-N 0 1 248.286 2.263 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H](C)c2ccco2)n[nH]1 ZINC001116126551 987451441 /nfs/dbraw/zinc/45/14/41/987451441.db2.gz RZEIQVAKXOVMEW-QMMMGPOBSA-N 0 1 248.286 2.263 20 0 BEADMN Cc1cc(CN(C)Cc2ccccc2)n[nH]1 ZINC001116327645 987522877 /nfs/dbraw/zinc/52/28/77/987522877.db2.gz XKYZVLFUPAZAOC-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN CCCN(Cc1cc(C)[nH]n1)CC(F)(F)F ZINC001116441952 987570368 /nfs/dbraw/zinc/57/03/68/987570368.db2.gz ZUCCKTWFWIDAPO-UHFFFAOYSA-N 0 1 235.253 2.492 20 0 BEADMN CCCCc1nnc(NCc2cc(C)[nH]n2)o1 ZINC001116487442 987600716 /nfs/dbraw/zinc/60/07/16/987600716.db2.gz ZIYSZEPYQCTNTC-UHFFFAOYSA-N 0 1 235.291 2.056 20 0 BEADMN COC/C(C)=C\CN1CCc2cc(O)ccc2C1 ZINC001473901879 987609969 /nfs/dbraw/zinc/60/99/69/987609969.db2.gz NGHQXOBENXAORB-XGICHPGQSA-N 0 1 247.338 2.343 20 0 BEADMN Cn1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC001474009809 987629219 /nfs/dbraw/zinc/62/92/19/987629219.db2.gz HRUGNYLQOHRKMG-ZFWWWQNUSA-N 0 1 241.338 2.141 20 0 BEADMN CC1(C)C[C@@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116590954 987635481 /nfs/dbraw/zinc/63/54/81/987635481.db2.gz LSAYETADXQUHAG-GHMZBOCLSA-N 0 1 247.342 2.392 20 0 BEADMN CC(C)c1nc([C@@H](C)NCc2cccnc2)n[nH]1 ZINC001474100002 987642939 /nfs/dbraw/zinc/64/29/39/987642939.db2.gz NUQJULQJVXZBMQ-SNVBAGLBSA-N 0 1 245.330 2.174 20 0 BEADMN CC(C)(C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116612172 987644056 /nfs/dbraw/zinc/64/40/56/987644056.db2.gz GVNBPGRZJCXOMK-SNVBAGLBSA-N 0 1 235.331 2.176 20 0 BEADMN CCCC(CCC)NC1(C(F)(F)F)CNC1 ZINC001246251223 987648338 /nfs/dbraw/zinc/64/83/38/987648338.db2.gz CMPCNZLSFYZOKP-UHFFFAOYSA-N 0 1 238.297 2.449 20 0 BEADMN c1cc(CNc2ccc3c[nH]nc3c2)no1 ZINC001474248044 987664586 /nfs/dbraw/zinc/66/45/86/987664586.db2.gz GAOSDPHSSVQETH-UHFFFAOYSA-N 0 1 214.228 2.163 20 0 BEADMN C/C=C(\C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116808717 987716437 /nfs/dbraw/zinc/71/64/37/987716437.db2.gz AKYXUKOFZHOBOF-BWLWAFFFSA-N 0 1 233.315 2.302 20 0 BEADMN CCn1ccc(CN2CCSCC[C@H]2C)n1 ZINC001474443309 987723465 /nfs/dbraw/zinc/72/34/65/987723465.db2.gz SHCJVFVTZQRUTQ-LLVKDONJSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1cc(CNc2cccc3c2CCO3)n[nH]1 ZINC001116865497 987736211 /nfs/dbraw/zinc/73/62/11/987736211.db2.gz HXQBAMHQFJMFQD-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN CCCC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001116879340 987746424 /nfs/dbraw/zinc/74/64/24/987746424.db2.gz XHUQBUYXLAEEBB-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN Cn1cc(-c2ccc(CNCCF)cc2)cn1 ZINC001116892698 987751061 /nfs/dbraw/zinc/75/10/61/987751061.db2.gz JDQQNTHKOAOLIX-UHFFFAOYSA-N 0 1 233.290 2.146 20 0 BEADMN CCOC1(C)CCN(Cc2ccc(C)nn2)CC1 ZINC001474551318 987754231 /nfs/dbraw/zinc/75/42/31/987754231.db2.gz YHWXFIDJGFQVDH-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN Nc1ncccc1CN1CC2(C1)CCCCC2 ZINC001474567242 987761756 /nfs/dbraw/zinc/76/17/56/987761756.db2.gz FBWQWNZJESECFI-UHFFFAOYSA-N 0 1 231.343 2.430 20 0 BEADMN Cc1coc(C(=O)Nc2nc(C(C)C)n[nH]2)c1C ZINC001117134475 987787205 /nfs/dbraw/zinc/78/72/05/987787205.db2.gz YCVASHKVEUYPSF-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1coc(C(=O)Nc2n[nH]c(C(C)C)n2)c1C ZINC001117134475 987787210 /nfs/dbraw/zinc/78/72/10/987787210.db2.gz YCVASHKVEUYPSF-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Fc1cccnc1CN1CC[C@@H]2C[C@@H]2C1 ZINC001474639512 987788711 /nfs/dbraw/zinc/78/87/11/987788711.db2.gz HGJVOBLDMCQDJN-NXEZZACHSA-N 0 1 206.264 2.063 20 0 BEADMN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1nc(C(F)(F)F)n[n-]1 ZINC001474724355 987811722 /nfs/dbraw/zinc/81/17/22/987811722.db2.gz PUPGCWBQXZUFFT-ACZMJKKPSA-N 0 1 248.252 2.130 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001594874953 987870981 /nfs/dbraw/zinc/87/09/81/987870981.db2.gz VRBXIVYHQMGLNB-AXTSPUMRSA-N 0 1 247.285 2.073 20 0 BEADMN CCn1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001117814133 987937378 /nfs/dbraw/zinc/93/73/78/987937378.db2.gz VIXLSSLLFOPQNA-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246570859 988052555 /nfs/dbraw/zinc/05/25/55/988052555.db2.gz QEMXNLRREUMISR-DTWKUNHWSA-N 0 1 224.270 2.141 20 0 BEADMN CCC(CC)CN1CC(NC(=O)[C@@H](C)CC)C1 ZINC001494340460 988132152 /nfs/dbraw/zinc/13/21/52/988132152.db2.gz NBSNZGGUYSPCKX-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC(=O)c1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC001118251767 988157815 /nfs/dbraw/zinc/15/78/15/988157815.db2.gz UTAJCEQERQTMAT-JTQLQIEISA-N 0 1 249.310 2.042 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCc1nnc[nH]1 ZINC001118388019 988301883 /nfs/dbraw/zinc/30/18/83/988301883.db2.gz XGXDQLZJPMYFQN-SECBINFHSA-N 0 1 225.292 2.064 20 0 BEADMN Cc1c(C(=O)N[C@@H]2CC[C@H]2C)ccc2cncn21 ZINC001322595381 988332753 /nfs/dbraw/zinc/33/27/53/988332753.db2.gz QSTONNIJDHDWJI-NOZJJQNGSA-N 0 1 243.310 2.171 20 0 BEADMN C/C=C(/CC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC001118458560 988359866 /nfs/dbraw/zinc/35/98/66/988359866.db2.gz FPZASKTUMCTEQN-CPJBWDMUSA-N 0 1 237.303 2.328 20 0 BEADMN C1CC1c1n[nH]c(S[C@@H]2CCSC2)n1 ZINC001118474191 988369786 /nfs/dbraw/zinc/36/97/86/988369786.db2.gz ZKRAEKIIGUOWGR-SSDOTTSWSA-N 0 1 227.358 2.280 20 0 BEADMN C1CC1c1nc(S[C@@H]2CCSC2)n[nH]1 ZINC001118474191 988369793 /nfs/dbraw/zinc/36/97/93/988369793.db2.gz ZKRAEKIIGUOWGR-SSDOTTSWSA-N 0 1 227.358 2.280 20 0 BEADMN CC1=C(C(=O)Nc2nc(C(C)C)n[nH]2)CCC1 ZINC001322831240 988386571 /nfs/dbraw/zinc/38/65/71/988386571.db2.gz PVDMCEUJMDYUTG-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CC1=C(C(=O)Nc2n[nH]c(C(C)C)n2)CCC1 ZINC001322831240 988386586 /nfs/dbraw/zinc/38/65/86/988386586.db2.gz PVDMCEUJMDYUTG-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CC(=O)Nc1ccc(NCc2cc(C)[nH]n2)cc1 ZINC001322882891 988398144 /nfs/dbraw/zinc/39/81/44/988398144.db2.gz NKJWLIUFNVBKBK-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN CN(Cc1nnc[nH]1)C(C)(C)c1ccccc1 ZINC001118563385 988442088 /nfs/dbraw/zinc/44/20/88/988442088.db2.gz DOUTUKXTERGKQY-UHFFFAOYSA-N 0 1 230.315 2.172 20 0 BEADMN Cc1cc(CNCC(F)(F)C(C)(C)C)n[nH]1 ZINC001118629470 988483647 /nfs/dbraw/zinc/48/36/47/988483647.db2.gz UABJMGDHJFIGLH-UHFFFAOYSA-N 0 1 231.290 2.489 20 0 BEADMN Cc1c(C(=O)NC2(C)CCC2)ccc2cncn21 ZINC001323660704 988576531 /nfs/dbraw/zinc/57/65/31/988576531.db2.gz VAZSGQKYYABFNU-UHFFFAOYSA-N 0 1 243.310 2.315 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001595458070 988581558 /nfs/dbraw/zinc/58/15/58/988581558.db2.gz AATQTBWCTRRHMP-LLVKDONJSA-N 0 1 236.315 2.098 20 0 BEADMN Cc1nnc(SCc2cccnc2C)[nH]1 ZINC001323907660 988645890 /nfs/dbraw/zinc/64/58/90/988645890.db2.gz OETXMDXIWAXAIW-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC1(c2nc([C@H]3CN4CCC3CC4)no2)CCC1 ZINC001323915324 988651044 /nfs/dbraw/zinc/65/10/44/988651044.db2.gz ROAMYDKGZMXQQE-NSHDSACASA-N 0 1 247.342 2.320 20 0 BEADMN Cc1cc(CN2CCC(C3CC3)CC2)[nH]n1 ZINC001324158171 988731131 /nfs/dbraw/zinc/73/11/31/988731131.db2.gz GZGPTTGPENCMGU-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN Cc1cocc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001118967206 988750867 /nfs/dbraw/zinc/75/08/67/988750867.db2.gz WEHGACUNVXZRCE-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1cocc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001118967206 988750882 /nfs/dbraw/zinc/75/08/82/988750882.db2.gz WEHGACUNVXZRCE-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)c1nc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n[nH]1 ZINC001324400813 988828669 /nfs/dbraw/zinc/82/86/69/988828669.db2.gz WQECCWVLUIVEFO-UTLUCORTSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001324400813 988828675 /nfs/dbraw/zinc/82/86/75/988828675.db2.gz WQECCWVLUIVEFO-UTLUCORTSA-N 0 1 248.330 2.303 20 0 BEADMN Cc1cc([C@@H](C)NC(=O)[C@H](C)N(C)C)c(C)o1 ZINC001119096005 988831317 /nfs/dbraw/zinc/83/13/17/988831317.db2.gz JTTFAHKDQFROAV-ZJUUUORDSA-N 0 1 238.331 2.024 20 0 BEADMN CC(C)c1ocnc1CN[C@H]1CCOC1(C)C ZINC001324437937 988839689 /nfs/dbraw/zinc/83/96/89/988839689.db2.gz HPXJTRCTCYAIFC-NSHDSACASA-N 0 1 238.331 2.455 20 0 BEADMN CC(C)c1ocnc1CN[C@@H]1CCOC1(C)C ZINC001324437894 988840288 /nfs/dbraw/zinc/84/02/88/988840288.db2.gz HPXJTRCTCYAIFC-LLVKDONJSA-N 0 1 238.331 2.455 20 0 BEADMN Cc1ccc(-c2noc(C3CN(C)C3)n2)cc1 ZINC001247371495 988860358 /nfs/dbraw/zinc/86/03/58/988860358.db2.gz BGDPSYMUDFJCOE-UHFFFAOYSA-N 0 1 229.283 2.074 20 0 BEADMN CNCc1nc(-c2cc(Cl)ccc2F)no1 ZINC001247432400 988886524 /nfs/dbraw/zinc/88/65/24/988886524.db2.gz ZAVYSNJLQBLRHK-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CCC[C@H](F)C1 ZINC001119304241 988916056 /nfs/dbraw/zinc/91/60/56/988916056.db2.gz QGZGYXJSTLTLLQ-WDEREUQCSA-N 0 1 240.326 2.229 20 0 BEADMN CSC[C@@H]1CCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001324752666 988968200 /nfs/dbraw/zinc/96/82/00/988968200.db2.gz QQVBKIPHILPXQW-NSHDSACASA-N 0 1 225.361 2.046 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001324752666 988968210 /nfs/dbraw/zinc/96/82/10/988968210.db2.gz QQVBKIPHILPXQW-NSHDSACASA-N 0 1 225.361 2.046 20 0 BEADMN CCc1[nH]nc(NCc2n[nH]c(C)c2C)c1C ZINC001119375314 989012969 /nfs/dbraw/zinc/01/29/69/989012969.db2.gz NPXFOIPHIAJSIC-UHFFFAOYSA-N 0 1 233.319 2.233 20 0 BEADMN C[C@H](C1CC1)N(C)c1nc(N)nc2c1CCCC2 ZINC001515339341 989032233 /nfs/dbraw/zinc/03/22/33/989032233.db2.gz HZJGUSQMUWDICL-SECBINFHSA-N 0 1 246.358 2.172 20 0 BEADMN F[C@@]1(c2nc(-c3ccccc3)no2)CCCNC1 ZINC001247880206 989033444 /nfs/dbraw/zinc/03/34/44/989033444.db2.gz PCMDOBYYQAESOY-ZDUSSCGKSA-N 0 1 247.273 2.285 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)NC1CCC=CCC1 ZINC001119394805 989040255 /nfs/dbraw/zinc/04/02/55/989040255.db2.gz ANFGVFPUMDSWRP-UHFFFAOYSA-N 0 1 248.330 2.050 20 0 BEADMN Cc1nnc(SCc2ccc(Cl)cn2)[nH]1 ZINC001324988492 989044818 /nfs/dbraw/zinc/04/48/18/989044818.db2.gz LOMQVZVDLUAZAZ-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2ccc(Cl)cn2)n1 ZINC001324988492 989044835 /nfs/dbraw/zinc/04/48/35/989044835.db2.gz LOMQVZVDLUAZAZ-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1cccc([C@H](C)C(=O)OCCN2CCC2)c1 ZINC001515548989 989066846 /nfs/dbraw/zinc/06/68/46/989066846.db2.gz BTKLXXFEASJOAG-ZDUSSCGKSA-N 0 1 247.338 2.347 20 0 BEADMN CN[C@H](CC(C)C)c1nc(-c2ccccn2)no1 ZINC001248206529 989083648 /nfs/dbraw/zinc/08/36/48/989083648.db2.gz WTLPKXCSCNVLQR-LLVKDONJSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1cc(F)ccc1-c1noc([C@@H]2C=CCN2)n1 ZINC001248228253 989085182 /nfs/dbraw/zinc/08/51/82/989085182.db2.gz LEJYYFPVINAWNF-NSHDSACASA-N 0 1 245.257 2.385 20 0 BEADMN COc1cc(-c2noc([C@H]3CCN3)n2)ccc1C ZINC001248284931 989089258 /nfs/dbraw/zinc/08/92/58/989089258.db2.gz PNNYIPKKPDMJTI-SNVBAGLBSA-N 0 1 245.282 2.088 20 0 BEADMN CCCCN(CN1CC2(CC2)CC1=O)C1CC1 ZINC001325210933 989121940 /nfs/dbraw/zinc/12/19/40/989121940.db2.gz SEACLQBFGSEKSS-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN Nc1nccc(N[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC001515849630 989123879 /nfs/dbraw/zinc/12/38/79/989123879.db2.gz AGDBLIHUNPSALY-WDEREUQCSA-N 0 1 232.331 2.440 20 0 BEADMN Cc1ccc(-c2noc([C@]3(C)CCN3)n2)cc1F ZINC001248721406 989137550 /nfs/dbraw/zinc/13/75/50/989137550.db2.gz HSXGXMFNQXIQRJ-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cccc(NCC(C)(C)[C@H](C)O)n1 ZINC001516127735 989141543 /nfs/dbraw/zinc/14/15/43/989141543.db2.gz UBVVZRBKBKNJHU-JTQLQIEISA-N 0 1 208.305 2.209 20 0 BEADMN NCc1nccnc1NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001516394641 989149836 /nfs/dbraw/zinc/14/98/36/989149836.db2.gz HJTWDFNQHLYRRR-NWDGAFQWSA-N 0 1 246.358 2.174 20 0 BEADMN Fc1ccc(CN2CC3(COC3)C2)c2[nH]ccc21 ZINC001248814648 989174702 /nfs/dbraw/zinc/17/47/02/989174702.db2.gz VVLGFKVPWUNCCA-UHFFFAOYSA-N 0 1 246.285 2.139 20 0 BEADMN Cn1cc(CN2CCC2)c2c1ccnc2Cl ZINC001248833958 989191679 /nfs/dbraw/zinc/19/16/79/989191679.db2.gz BGFVROOFFNOAQM-UHFFFAOYSA-N 0 1 235.718 2.432 20 0 BEADMN Cc1ccc2nc(CN3CCCOCC3)[nH]c2c1 ZINC001248839663 989193964 /nfs/dbraw/zinc/19/39/64/989193964.db2.gz SHVFCVJPBUYIOQ-UHFFFAOYSA-N 0 1 245.326 2.094 20 0 BEADMN CCC[N@@H+](Cc1nonc1C)[C@H](C)CC ZINC001248856694 989196623 /nfs/dbraw/zinc/19/66/23/989196623.db2.gz NRNCHRFWLLIEPA-SECBINFHSA-N 0 1 211.309 2.389 20 0 BEADMN CCCN(Cc1nonc1C)[C@H](C)CC ZINC001248856694 989196632 /nfs/dbraw/zinc/19/66/32/989196632.db2.gz NRNCHRFWLLIEPA-SECBINFHSA-N 0 1 211.309 2.389 20 0 BEADMN Cc1nc[nH]c1C(=O)OCc1cc(C)cc(C)n1 ZINC001517065336 989198019 /nfs/dbraw/zinc/19/80/19/989198019.db2.gz WJXSWMCEIDYALT-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN Cc1cc(C)nc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC001248932187 989220663 /nfs/dbraw/zinc/22/06/63/989220663.db2.gz FOALMAQDICJOIN-CHWSQXEVSA-N 0 1 231.343 2.325 20 0 BEADMN Cc1nnc(SC[C@H]2CC[C@@H](C3CC3)O2)[nH]1 ZINC001119608984 989230220 /nfs/dbraw/zinc/23/02/20/989230220.db2.gz JDKCPXRTLGJZGH-ZJUUUORDSA-N 0 1 239.344 2.163 20 0 BEADMN CC[C@@H]1CCCN1Cc1nc(C)cc(C)n1 ZINC001248965931 989231543 /nfs/dbraw/zinc/23/15/43/989231543.db2.gz OZKWDFCWCYIJAT-GFCCVEGCSA-N 0 1 219.332 2.468 20 0 BEADMN Cc1cc(C)nc(CN2C[C@H](C)CC23CC3)n1 ZINC001248977334 989236795 /nfs/dbraw/zinc/23/67/95/989236795.db2.gz DMLHSIFFLCVLFM-SNVBAGLBSA-N 0 1 231.343 2.468 20 0 BEADMN CCCCNCc1nc(-c2cccnc2)no1 ZINC001249025297 989237361 /nfs/dbraw/zinc/23/73/61/989237361.db2.gz DCUWSNKBMDDKDY-UHFFFAOYSA-N 0 1 232.287 2.021 20 0 BEADMN CCNCc1nc(-c2ccc(OCC)cc2)no1 ZINC001249132903 989258759 /nfs/dbraw/zinc/25/87/59/989258759.db2.gz MSANVHPUQLCGIH-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CC(C)C[C@@](C)(N)c1nc(-c2ccccn2)no1 ZINC001249285256 989268141 /nfs/dbraw/zinc/26/81/41/989268141.db2.gz KKYFYYIMBJWOLD-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN CCSc1ccccc1CN1CC(CO)C1 ZINC001249439903 989279298 /nfs/dbraw/zinc/27/92/98/989279298.db2.gz LVWPRFRSYCYKFD-UHFFFAOYSA-N 0 1 237.368 2.223 20 0 BEADMN c1cc2c(c(CN3C[C@@H]4C[C@H]3CO4)c1)CCC2 ZINC001249458129 989283104 /nfs/dbraw/zinc/28/31/04/989283104.db2.gz HFIDAEVCSDQGTQ-KBPBESRZSA-N 0 1 229.323 2.148 20 0 BEADMN CC/C(C)=C/C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001518424441 989304448 /nfs/dbraw/zinc/30/44/48/989304448.db2.gz FKOGBWWOHRUMPN-BQYQJAHWSA-N 0 1 246.270 2.360 20 0 BEADMN Cc1nnsc1[C@H](C)N1CCCSCC1 ZINC001119771383 989389298 /nfs/dbraw/zinc/38/92/98/989389298.db2.gz MOPCTGQEUWEBSR-VIFPVBQESA-N 0 1 243.401 2.346 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@H]2C[C@H]21 ZINC001119770597 989393101 /nfs/dbraw/zinc/39/31/01/989393101.db2.gz JAGPZIXTLBGWQY-XHNCKOQMSA-N 0 1 209.318 2.002 20 0 BEADMN CC[C@H](OC(=O)c1[nH]cnc1C)C(C)C ZINC001519532777 989424768 /nfs/dbraw/zinc/42/47/68/989424768.db2.gz VWYCTHMHZGERKU-VIFPVBQESA-N 0 1 210.277 2.310 20 0 BEADMN CC(C)[C@H](N)c1noc(C[C@H]2C=CCC2)n1 ZINC001326236143 989436564 /nfs/dbraw/zinc/43/65/64/989436564.db2.gz DEUHSMVXVLMAPZ-ONGXEEELSA-N 0 1 221.304 2.234 20 0 BEADMN C[C@@H](c1ncccn1)N1CCSC[C@H](C)C1 ZINC001119849938 989440413 /nfs/dbraw/zinc/44/04/13/989440413.db2.gz MWKNAGDGMMLHOW-MNOVXSKESA-N 0 1 237.372 2.223 20 0 BEADMN Cc1nnc(SCc2cc(C)ccn2)[nH]1 ZINC001326247552 989449305 /nfs/dbraw/zinc/44/93/05/989449305.db2.gz CQWJFBSEEFSGBP-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1n[nH]c(SCc2cc(C)ccn2)n1 ZINC001326247552 989449310 /nfs/dbraw/zinc/44/93/10/989449310.db2.gz CQWJFBSEEFSGBP-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1ccc(C(C)=O)cc1 ZINC001119880847 989454618 /nfs/dbraw/zinc/45/46/18/989454618.db2.gz LNRAYHXSUUWMBV-HUUCEWRRSA-N 0 1 247.338 2.498 20 0 BEADMN Fc1ccc(CCN2CCc3c[nH]nc3C2)cc1 ZINC001119937743 989495457 /nfs/dbraw/zinc/49/54/57/989495457.db2.gz YLDDYOLDBLYEOE-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(C(C)(C)C)CC1 ZINC001326418615 989549019 /nfs/dbraw/zinc/54/90/19/989549019.db2.gz UPYODKHTKQHQPV-QXMHVHEDSA-N 0 1 238.375 2.285 20 0 BEADMN CN1CC[N@H+](Cc2cccn2C2CC2)C(C)(C)C1 ZINC001326430198 989551575 /nfs/dbraw/zinc/55/15/75/989551575.db2.gz NYXSZUIJCJBIOJ-UHFFFAOYSA-N 0 1 247.386 2.349 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1n[nH]c(C)c1C ZINC001520554320 989576301 /nfs/dbraw/zinc/57/63/01/989576301.db2.gz QDJUOPSMWDVWHO-LLVKDONJSA-N 0 1 237.347 2.469 20 0 BEADMN COc1c(C)cccc1CNCc1cc(C)n[nH]1 ZINC001326843208 989741076 /nfs/dbraw/zinc/74/10/76/989741076.db2.gz BOHPFLLVLKPAIV-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@]2(C)CCC[C@H]2C)c1C ZINC001521892542 989813963 /nfs/dbraw/zinc/81/39/63/989813963.db2.gz DGFDVEUQZIVREN-OTYXRUKQSA-N 0 1 249.358 2.469 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@H]1CN2CCC1CC2 ZINC001120687871 989832582 /nfs/dbraw/zinc/83/25/82/989832582.db2.gz VUBGWYRCWBBRNE-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)CC(C)C ZINC001120727911 989852368 /nfs/dbraw/zinc/85/23/68/989852368.db2.gz SBZMZDDBDYEPMV-UHFFFAOYSA-N 0 1 232.287 2.251 20 0 BEADMN NCc1cc(C(=O)NC[C@]23C[C@H]2CCCC3)co1 ZINC001522630305 989867323 /nfs/dbraw/zinc/86/73/23/989867323.db2.gz VEUYAKSNKVALPQ-RISCZKNCSA-N 0 1 248.326 2.048 20 0 BEADMN CCN1CCN(c2cc(Cl)ccn2)C[C@@H]1C ZINC001120828311 989909005 /nfs/dbraw/zinc/90/90/05/989909005.db2.gz OQJWMMVKDITXJM-JTQLQIEISA-N 0 1 239.750 2.265 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2nccnc2CN)C[C@@H]1C ZINC001120921149 989967426 /nfs/dbraw/zinc/96/74/26/989967426.db2.gz LGHBLHMOKZBAEG-OUAUKWLOSA-N 0 1 234.347 2.172 20 0 BEADMN C[C@H](Nc1nccnc1CN)c1ccsc1 ZINC001120932273 989973930 /nfs/dbraw/zinc/97/39/30/989973930.db2.gz CVBPCJCOKBLGFG-QMMMGPOBSA-N 0 1 234.328 2.170 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CCCSC1 ZINC001525568223 990057608 /nfs/dbraw/zinc/05/76/08/990057608.db2.gz YBYFTYANXFYUHU-VIFPVBQESA-N 0 1 240.328 2.018 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001526549552 990151344 /nfs/dbraw/zinc/15/13/44/990151344.db2.gz WXOYERYMQKQJCU-DCAQKATOSA-N 0 1 234.299 2.311 20 0 BEADMN CC(C)(CNC(=O)[C@H](N)c1ccccc1)C1CC1 ZINC001122267942 990315557 /nfs/dbraw/zinc/31/55/57/990315557.db2.gz RUXXLMPZNMUZKR-CYBMUJFWSA-N 0 1 246.354 2.239 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)c1cccc(F)c1O ZINC001529650954 990359789 /nfs/dbraw/zinc/35/97/89/990359789.db2.gz JRVIOBBELPGDCF-CYBMUJFWSA-N 0 1 237.274 2.450 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001604955844 990385558 /nfs/dbraw/zinc/38/55/58/990385558.db2.gz KNGVDPQZEPHIJJ-WZRBSPASSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)O[C@@H]3C=CCC3)c2C1 ZINC001122738007 990441998 /nfs/dbraw/zinc/44/19/98/990441998.db2.gz OYRCADNJZHRBJG-VHSXEESVSA-N 0 1 246.310 2.410 20 0 BEADMN O=C(OCc1c[nH]nn1)C1(C2CCCCC2)CC1 ZINC001123007468 990488146 /nfs/dbraw/zinc/48/81/46/990488146.db2.gz JNFKBDUFTBWCHR-UHFFFAOYSA-N 0 1 249.314 2.208 20 0 BEADMN CCCCC1(C(=O)OCCN2CCC2)CC1 ZINC001123147674 990519845 /nfs/dbraw/zinc/51/98/45/990519845.db2.gz FFQHUMRFLJTHRD-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1F ZINC001540393034 990615109 /nfs/dbraw/zinc/61/51/09/990615109.db2.gz USZDPQAIEKTPSK-VIFPVBQESA-N 0 1 247.273 2.366 20 0 BEADMN COc1ccc(NC(=O)c2[nH]c(C)nc2C)cc1 ZINC001540437353 990622680 /nfs/dbraw/zinc/62/26/80/990622680.db2.gz PUMMSRIKBWFTNQ-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN COc1ccccc1OC(=O)c1[nH]c(C)nc1C ZINC001540545881 990624975 /nfs/dbraw/zinc/62/49/75/990624975.db2.gz DQJBZVHKCVACMC-UHFFFAOYSA-N 0 1 246.266 2.254 20 0 BEADMN C[C@@H]1C[C@@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001544011873 990709031 /nfs/dbraw/zinc/70/90/31/990709031.db2.gz FJRLXENFJMJSMI-VXNVDRBHSA-N 0 1 239.702 2.431 20 0 BEADMN CC(C)CCCCNC(=O)[C@H]1CCCN1C ZINC001544255430 990717046 /nfs/dbraw/zinc/71/70/46/990717046.db2.gz RCDRSCJLLAITCA-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CCCCNC(=O)c1[nH]ncc1F ZINC001544255554 990717221 /nfs/dbraw/zinc/71/72/21/990717221.db2.gz VSEWYUKARWUVIT-UHFFFAOYSA-N 0 1 227.283 2.105 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)c1C ZINC001123988773 990723793 /nfs/dbraw/zinc/72/37/93/990723793.db2.gz BINACWJTGJYWMP-NWDGAFQWSA-N 0 1 247.342 2.079 20 0 BEADMN CCN(C(=O)c1cccc2[nH]cnc21)C(C)C ZINC001544892385 990739575 /nfs/dbraw/zinc/73/95/75/990739575.db2.gz QQHPTTXWMPVRFG-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN Cc1cccc(C)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001137851625 990860540 /nfs/dbraw/zinc/86/05/40/990860540.db2.gz KRUDVXKQBIEMHY-BETUJISGSA-N 0 1 217.312 2.277 20 0 BEADMN Cc1ccc(CN(C)CC2COC2)c(F)c1F ZINC001137969642 990873203 /nfs/dbraw/zinc/87/32/03/990873203.db2.gz BNKFNKSOEYAHKX-UHFFFAOYSA-N 0 1 241.281 2.351 20 0 BEADMN CCCC1CCN(Cc2cnc(N)nc2)CC1 ZINC001138165307 990893907 /nfs/dbraw/zinc/89/39/07/990893907.db2.gz LPAIPDDRDBBEMT-UHFFFAOYSA-N 0 1 234.347 2.071 20 0 BEADMN CN(C)Cc1cccc(OC(C)(C)C)n1 ZINC001138276375 990903994 /nfs/dbraw/zinc/90/39/94/990903994.db2.gz FXORQFZVCQSWKK-UHFFFAOYSA-N 0 1 208.305 2.321 20 0 BEADMN Oc1cc(O)cc(CN2CCC(CF)CC2)c1 ZINC001138329756 990917981 /nfs/dbraw/zinc/91/79/81/990917981.db2.gz GSRVCNZXIVILBT-UHFFFAOYSA-N 0 1 239.290 2.279 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CCCCC12CC2 ZINC001138393967 990927125 /nfs/dbraw/zinc/92/71/25/990927125.db2.gz AZJGHLBZVBJQOI-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCCCC12CC2 ZINC001138393967 990927132 /nfs/dbraw/zinc/92/71/32/990927132.db2.gz AZJGHLBZVBJQOI-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN CCC(CC)[N@H+](C)Cc1ncccc1[O-] ZINC001138394355 990937763 /nfs/dbraw/zinc/93/77/63/990937763.db2.gz QICQMIMZHAMAMQ-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN CCC(CC)[N@@H+](C)Cc1ncccc1[O-] ZINC001138394355 990937771 /nfs/dbraw/zinc/93/77/71/990937771.db2.gz QICQMIMZHAMAMQ-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CC(=O)N[C@H](C)C1 ZINC001258066953 990961408 /nfs/dbraw/zinc/96/14/08/990961408.db2.gz XYOWLMCXMSOKGS-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN c1nc(CNCCCNc2ccccn2)cs1 ZINC001308297441 990964723 /nfs/dbraw/zinc/96/47/23/990964723.db2.gz IBCHQBVLDGSVNF-UHFFFAOYSA-N 0 1 248.355 2.130 20 0 BEADMN C/C(Cl)=C/C(=O)Nc1ccc2cncn2c1 ZINC001558590347 990971815 /nfs/dbraw/zinc/97/18/15/990971815.db2.gz IUQPKBPUCNSOGX-YWEYNIOJSA-N 0 1 235.674 2.415 20 0 BEADMN C[C@@H](NCc1cc2cccnc2o1)c1cn[nH]c1 ZINC001308356267 990975386 /nfs/dbraw/zinc/97/53/86/990975386.db2.gz CYEIBQQMYWXTLP-SECBINFHSA-N 0 1 242.282 2.402 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1nccs1 ZINC001558590599 990977007 /nfs/dbraw/zinc/97/70/07/990977007.db2.gz SPMBJENPUUTYQF-UHFFFAOYSA-N 0 1 244.279 2.043 20 0 BEADMN CCSc1ncc(CN(C)C2CC2)cn1 ZINC001138650182 990997090 /nfs/dbraw/zinc/99/70/90/990997090.db2.gz RSBMBUCGSKZZEL-UHFFFAOYSA-N 0 1 223.345 2.183 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001258096969 991003622 /nfs/dbraw/zinc/00/36/22/991003622.db2.gz DHQBWZGMIQGBCA-CHWSQXEVSA-N 0 1 238.375 2.284 20 0 BEADMN CSc1ncc(CN2C[C@@H]3[C@H](C2)C3(C)C)cn1 ZINC001138705925 991010394 /nfs/dbraw/zinc/01/03/94/991010394.db2.gz HSFXENZJBRGXJI-PHIMTYICSA-N 0 1 249.383 2.286 20 0 BEADMN CSc1ncc(CN2CCC[C@@H]2C)cn1 ZINC001138700330 991012456 /nfs/dbraw/zinc/01/24/56/991012456.db2.gz GARWASZWDGCKKJ-VIFPVBQESA-N 0 1 223.345 2.183 20 0 BEADMN Cc1ccc2sc(N3CC(N(C)C)C3)nc2c1 ZINC001559155884 991044610 /nfs/dbraw/zinc/04/46/10/991044610.db2.gz ABCWTTOXYVOONW-UHFFFAOYSA-N 0 1 247.367 2.355 20 0 BEADMN C[C@H]1CCCN(Cc2cccnc2F)C1 ZINC001138784650 991048319 /nfs/dbraw/zinc/04/83/19/991048319.db2.gz ISFHUTBFYITITM-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN FC[C@H]1CCCN(Cc2cccnc2F)C1 ZINC001138788148 991052025 /nfs/dbraw/zinc/05/20/25/991052025.db2.gz VFYFJCLCSSDSLK-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN CCN(Cc1ncccc1F)C[C@H]1CCOC1 ZINC001308611400 991059272 /nfs/dbraw/zinc/05/92/72/991059272.db2.gz HOXFGRFOQNLERU-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1cnc(CN)n1[C@@H](C)Cc1ccco1 ZINC001258176647 991075875 /nfs/dbraw/zinc/07/58/75/991075875.db2.gz CZDDJCDTXSPZLL-VIFPVBQESA-N 0 1 219.288 2.047 20 0 BEADMN COc1cccnc1CN[C@H](C)Cc1ccco1 ZINC001258176654 991076143 /nfs/dbraw/zinc/07/61/43/991076143.db2.gz DCCMBASUMBZRMH-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN CCc1nnc(S[C@@H]2CCC[C@@H](OC)C2)[nH]1 ZINC001559356214 991077593 /nfs/dbraw/zinc/07/75/93/991077593.db2.gz CKWVNNDTIWBGPR-RKDXNWHRSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCC[C@@H](OC)C2)n1 ZINC001559356214 991077601 /nfs/dbraw/zinc/07/76/01/991077601.db2.gz CKWVNNDTIWBGPR-RKDXNWHRSA-N 0 1 241.360 2.417 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001258184458 991084319 /nfs/dbraw/zinc/08/43/19/991084319.db2.gz BXFGXUSMFICJID-UTUOFQBUSA-N 0 1 223.316 2.320 20 0 BEADMN Fc1ccc(-c2n[nH]cc2CN2CCC2)cc1 ZINC001138880287 991091478 /nfs/dbraw/zinc/09/14/78/991091478.db2.gz SCZOYMHPQJOHAA-UHFFFAOYSA-N 0 1 231.274 2.422 20 0 BEADMN Cc1c[nH]c(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC001138935402 991106314 /nfs/dbraw/zinc/10/63/14/991106314.db2.gz NLXDOMAKOOXYBS-QWRGUYRKSA-N 0 1 207.321 2.481 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCCCC12COC2 ZINC001258193187 991106753 /nfs/dbraw/zinc/10/67/53/991106753.db2.gz VODPSERVOZZEFS-LBPRGKRZSA-N 0 1 235.327 2.466 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccco1 ZINC001258197831 991109437 /nfs/dbraw/zinc/10/94/37/991109437.db2.gz SHBGIAOCJDSGIP-MFKMUULPSA-N 0 1 221.300 2.264 20 0 BEADMN COCC[C@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC001138940471 991110648 /nfs/dbraw/zinc/11/06/48/991110648.db2.gz IOJHISCLNOIUTG-GFCCVEGCSA-N 0 1 237.347 2.109 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@H]2CC[C@@H]1CO2 ZINC001258197097 991110653 /nfs/dbraw/zinc/11/06/53/991110653.db2.gz JATZGYAXWOVHGP-DMDPSCGWSA-N 0 1 221.300 2.074 20 0 BEADMN OCCCCNCc1c(Cl)ccnc1Cl ZINC001308726407 991111105 /nfs/dbraw/zinc/11/11/05/991111105.db2.gz GTNWLNBODHLOAJ-UHFFFAOYSA-N 0 1 249.141 2.251 20 0 BEADMN CCCCOc1cccc(CN2CC(CO)C2)c1 ZINC001138954025 991112248 /nfs/dbraw/zinc/11/22/48/991112248.db2.gz PEWIRWOLDFHTIZ-UHFFFAOYSA-N 0 1 249.354 2.290 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2C[C@@H]3CCC[C@@H]32)n1 ZINC001308738313 991118312 /nfs/dbraw/zinc/11/83/12/991118312.db2.gz JTPNKUZCIKYRMW-ASXGKARISA-N 0 1 221.304 2.217 20 0 BEADMN CCCn1cc(CN2CC[C@]3(CCCO3)C2)cn1 ZINC001139038810 991128189 /nfs/dbraw/zinc/12/81/89/991128189.db2.gz BYIQDOMOWVTQPK-CQSZACIVSA-N 0 1 249.358 2.048 20 0 BEADMN CSCC[C@@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001258214153 991136997 /nfs/dbraw/zinc/13/69/97/991136997.db2.gz GQJJXTGIFCZTFK-NXEZZACHSA-N 0 1 233.352 2.131 20 0 BEADMN COC(=O)[C@@H]1CCCCN1[C@H](C)CCSC ZINC001258216346 991147227 /nfs/dbraw/zinc/14/72/27/991147227.db2.gz XOXILVGNISFRPJ-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN Cc1cccc2[nH]cc(CN3CC(C)(CO)C3)c21 ZINC001139192556 991185034 /nfs/dbraw/zinc/18/50/34/991185034.db2.gz UJVJPCPZSMOPQZ-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN CCC1(CN2CC[C@@](C)(F)[C@H](F)C2)COC1 ZINC001202926767 991228954 /nfs/dbraw/zinc/22/89/54/991228954.db2.gz KQCBGRPHHSFBCE-GHMZBOCLSA-N 0 1 233.302 2.185 20 0 BEADMN CCC1(CN2CC[C@](C)(F)[C@H](F)C2)COC1 ZINC001202926768 991230216 /nfs/dbraw/zinc/23/02/16/991230216.db2.gz KQCBGRPHHSFBCE-MNOVXSKESA-N 0 1 233.302 2.185 20 0 BEADMN CSC(C)(C)C[C@@H](C)n1ccnc1CN ZINC001258320515 991243856 /nfs/dbraw/zinc/24/38/56/991243856.db2.gz SQKYYDIMRCECDH-SECBINFHSA-N 0 1 227.377 2.435 20 0 BEADMN O=c1ccc(CN2CC[C@@H](C(F)(F)F)C2)c[nH]1 ZINC001139468740 991252571 /nfs/dbraw/zinc/25/25/71/991252571.db2.gz QWDXTCLKFNEAKW-SECBINFHSA-N 0 1 246.232 2.171 20 0 BEADMN CCC(CC)[NH2+]Cc1nc(C(F)(F)F)n[n-]1 ZINC001308990506 991256773 /nfs/dbraw/zinc/25/67/73/991256773.db2.gz XRUSBVRVGOSGCX-UHFFFAOYSA-N 0 1 236.241 2.102 20 0 BEADMN CC1=CCCN(Cc2cccc(N(C)C)n2)C1 ZINC001559791202 991258852 /nfs/dbraw/zinc/25/88/52/991258852.db2.gz UUHUCERZXOHYLA-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cccc(Cl)n1 ZINC001139547393 991265614 /nfs/dbraw/zinc/26/56/14/991265614.db2.gz FDCHHAOMMDSCKO-ONGXEEELSA-N 0 1 240.734 2.080 20 0 BEADMN COc1ccc(CN2CC(CO)C2)cc1C(C)C ZINC001139618040 991291909 /nfs/dbraw/zinc/29/19/09/991291909.db2.gz IXHSJYVCDPXLGL-UHFFFAOYSA-N 0 1 249.354 2.243 20 0 BEADMN CCOc1ccc(CN2CC(CO)C2)cc1CC ZINC001139623248 991296387 /nfs/dbraw/zinc/29/63/87/991296387.db2.gz ANJVTVUGLGQHJW-UHFFFAOYSA-N 0 1 249.354 2.072 20 0 BEADMN CCOc1ccncc1CN1CC2CC(C2)C1 ZINC001139632001 991301615 /nfs/dbraw/zinc/30/16/15/991301615.db2.gz JDNRTTMVBZZHKK-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN CCCN(C)Cc1cnccc1OCC ZINC001139627362 991302268 /nfs/dbraw/zinc/30/22/68/991302268.db2.gz OSYYCSXGYBGXDO-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN COC(=O)CC[C@@H](C)N1Cc2ccccc2C1 ZINC001258365868 991305356 /nfs/dbraw/zinc/30/53/56/991305356.db2.gz GBKUPHKBXODBDV-LLVKDONJSA-N 0 1 233.311 2.344 20 0 BEADMN Cc1nc2cc(C)ccn2c1CN1CC=CC1 ZINC001139675191 991312339 /nfs/dbraw/zinc/31/23/39/991312339.db2.gz NZPSBLCVMVIDPH-UHFFFAOYSA-N 0 1 227.311 2.323 20 0 BEADMN COC(=O)CC[C@H](C)N1CC2(C1)CC(F)(F)C2 ZINC001258366381 991312558 /nfs/dbraw/zinc/31/25/58/991312558.db2.gz ONEJRMZGUKLRJD-VIFPVBQESA-N 0 1 247.285 2.059 20 0 BEADMN C[C@H]1CCCN(Cc2cn3ccncc3n2)CC1 ZINC001139694095 991319512 /nfs/dbraw/zinc/31/95/12/991319512.db2.gz AYDOGOGGHSQPBH-LBPRGKRZSA-N 0 1 244.342 2.351 20 0 BEADMN CCCCCN(C)Cc1cn2ccncc2n1 ZINC001139692767 991320103 /nfs/dbraw/zinc/32/01/03/991320103.db2.gz ICBJPOYISGJDQN-UHFFFAOYSA-N 0 1 232.331 2.351 20 0 BEADMN c1c(CN2CC3CCC2CC3)nc2cnccn12 ZINC001139699170 991323341 /nfs/dbraw/zinc/32/33/41/991323341.db2.gz NNCAPLZZYJBMBI-UHFFFAOYSA-N 0 1 242.326 2.104 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cn2ccncc2n1 ZINC001139699160 991325041 /nfs/dbraw/zinc/32/50/41/991325041.db2.gz MXNOFQZDUMBGKC-CYBMUJFWSA-N 0 1 244.342 2.494 20 0 BEADMN Cc1cc(O)cc(C)c1CN(C)CCF ZINC001139716894 991341869 /nfs/dbraw/zinc/34/18/69/991341869.db2.gz KKXSNVXXHPKVSD-UHFFFAOYSA-N 0 1 211.280 2.410 20 0 BEADMN COc1ccc(CC[C@H](C)N2CC(C)(O)C2)cc1 ZINC001258398163 991343939 /nfs/dbraw/zinc/34/39/39/991343939.db2.gz PPOPHZYONAIVIV-LBPRGKRZSA-N 0 1 249.354 2.083 20 0 BEADMN CC1CN(Cc2cnc3cccnc3c2)C1 ZINC001139740727 991350218 /nfs/dbraw/zinc/35/02/18/991350218.db2.gz OMTGSNWSLZOPMP-UHFFFAOYSA-N 0 1 213.284 2.082 20 0 BEADMN C[C@H]1CCN1Cc1cnc2cccnc2c1 ZINC001139739108 991350495 /nfs/dbraw/zinc/35/04/95/991350495.db2.gz YCMHBWSIQMGDRZ-JTQLQIEISA-N 0 1 213.284 2.224 20 0 BEADMN CCC1(CN2CCC[C@H]2c2ncccn2)COC1 ZINC001202968961 991356411 /nfs/dbraw/zinc/35/64/11/991356411.db2.gz MNQPRFLIDPIIEF-LBPRGKRZSA-N 0 1 247.342 2.040 20 0 BEADMN CN1CCN(Cc2ccccc2C(F)F)CC1 ZINC001139796330 991372513 /nfs/dbraw/zinc/37/25/13/991372513.db2.gz RDNXDNNTWQNXOH-UHFFFAOYSA-N 0 1 240.297 2.372 20 0 BEADMN Cc1cnc(CN2C[C@@H](CO)CC[C@@H]2C)s1 ZINC001139809303 991377434 /nfs/dbraw/zinc/37/74/34/991377434.db2.gz VNPHYQAUTGULCX-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN Fc1cc(CN2CCc3cnccc3C2)ccn1 ZINC001139830479 991384379 /nfs/dbraw/zinc/38/43/79/991384379.db2.gz BHBAWINILMQNJJ-UHFFFAOYSA-N 0 1 243.285 2.174 20 0 BEADMN COCc1ccc(CN2CC[C@H]2COC)s1 ZINC001139829813 991385202 /nfs/dbraw/zinc/38/52/02/991385202.db2.gz WOVOMNKVYJKRBK-JTQLQIEISA-N 0 1 241.356 2.115 20 0 BEADMN COCc1ccc(CN2CCSCC2)s1 ZINC001139826644 991387154 /nfs/dbraw/zinc/38/71/54/991387154.db2.gz YTSOARKQJDMNDQ-UHFFFAOYSA-N 0 1 243.397 2.443 20 0 BEADMN C[C@]1(C(F)(F)F)CCN(CC2=NOCC2)C1 ZINC001560123750 991389434 /nfs/dbraw/zinc/38/94/34/991389434.db2.gz FUNATFBDTFIHQO-VIFPVBQESA-N 0 1 236.237 2.037 20 0 BEADMN CCCCC[C@@H](CC)N1CC(NC(C)=O)C1 ZINC001258446421 991389489 /nfs/dbraw/zinc/38/94/89/991389489.db2.gz QQNCCAFUJADWPI-CYBMUJFWSA-N 0 1 226.364 2.166 20 0 BEADMN Fc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccn1 ZINC001139832721 991392177 /nfs/dbraw/zinc/39/21/77/991392177.db2.gz MZVLHOHBQCMTDR-GARJFASQSA-N 0 1 224.254 2.153 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)nc1 ZINC001139839712 991400060 /nfs/dbraw/zinc/40/00/60/991400060.db2.gz PPWCEOVHWRCXSY-HIFRSBDPSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccncc1Cl ZINC001139845973 991401662 /nfs/dbraw/zinc/40/16/62/991401662.db2.gz ZOFBTBRXJNMWAQ-ONGXEEELSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](CC1CC1)Nc1cccnc1CN ZINC001258454932 991406568 /nfs/dbraw/zinc/40/65/68/991406568.db2.gz ORRNRMVQVHRWEU-SECBINFHSA-N 0 1 205.305 2.141 20 0 BEADMN C[C@H](NCc1nc(CC2CC2)no1)C1(C)CC1 ZINC001560200131 991408798 /nfs/dbraw/zinc/40/87/98/991408798.db2.gz NCKPKVNARHCIOO-VIFPVBQESA-N 0 1 235.331 2.300 20 0 BEADMN C[C@H](CC1CC1)N[C@H]1NC(=O)c2ccccc21 ZINC001258455764 991409509 /nfs/dbraw/zinc/40/95/09/991409509.db2.gz WFZMGWMZFBKWPF-RNCFNFMXSA-N 0 1 230.311 2.207 20 0 BEADMN C[C@@H](CC1CC1)N(C)Cc1ncccn1 ZINC001258458124 991414619 /nfs/dbraw/zinc/41/46/19/991414619.db2.gz PSQCAAQEIJFDDT-JTQLQIEISA-N 0 1 205.305 2.097 20 0 BEADMN COc1ccc(CN2CCCCC2)c(OC)n1 ZINC001139917304 991416774 /nfs/dbraw/zinc/41/67/74/991416774.db2.gz RBUWJYRJJXDEMN-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN COc1ccc(CN2C[C@H]3CC[C@@H]2C3)c(OC)n1 ZINC001139920985 991418948 /nfs/dbraw/zinc/41/89/48/991418948.db2.gz NLSYBANXHHCBMH-CMPLNLGQSA-N 0 1 248.326 2.083 20 0 BEADMN COc1ccc(CN2C3CCC2CC3)c(OC)n1 ZINC001139920638 991419015 /nfs/dbraw/zinc/41/90/15/991419015.db2.gz GKMDNUWWSKUGQO-UHFFFAOYSA-N 0 1 248.326 2.226 20 0 BEADMN COc1ccc(CN2CCC3(CC3)C2)c(OC)n1 ZINC001139919870 991420291 /nfs/dbraw/zinc/42/02/91/991420291.db2.gz RCADUBXDUJREBX-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Cc1ncc2n1CCN([C@H](C)CC1CC1)C2 ZINC001258465051 991425972 /nfs/dbraw/zinc/42/59/72/991425972.db2.gz MVANUNYFXLYUGU-SNVBAGLBSA-N 0 1 219.332 2.196 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(cnn3C)c2)C[C@@H]1F ZINC001139948877 991427350 /nfs/dbraw/zinc/42/73/50/991427350.db2.gz RGFKQDUZIYLJSE-MFKMUULPSA-N 0 1 247.317 2.363 20 0 BEADMN Cn1cc(CN2CCC[C@H](C3CCCC3)C2)nn1 ZINC001560225930 991427884 /nfs/dbraw/zinc/42/78/84/991427884.db2.gz GVWWVDZOXKAUOF-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN C[C@H]1CCN(Cc2ccnnc2)CCC1(F)F ZINC001139980338 991453253 /nfs/dbraw/zinc/45/32/53/991453253.db2.gz OSWFMYBZYOHTJF-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccnnc1 ZINC001139984825 991462127 /nfs/dbraw/zinc/46/21/27/991462127.db2.gz BKPMAMNAMXMBBZ-LBPRGKRZSA-N 0 1 239.322 2.423 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1ccnnc1 ZINC001139984825 991462136 /nfs/dbraw/zinc/46/21/36/991462136.db2.gz BKPMAMNAMXMBBZ-LBPRGKRZSA-N 0 1 239.322 2.423 20 0 BEADMN c1ccc2c(c1)CCCN(Cc1ccnnc1)C2 ZINC001139983786 991462369 /nfs/dbraw/zinc/46/23/69/991462369.db2.gz KQUXUOMLJFQZNP-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN CN(Cc1cc2ccccc2cn1)[C@@H]1CCOC1 ZINC001139999439 991475098 /nfs/dbraw/zinc/47/50/98/991475098.db2.gz SXDAZSVGHFJWKR-OAHLLOKOSA-N 0 1 242.322 2.456 20 0 BEADMN CCCC1CCC(N2CCNC(=O)[C@H]2C)CC1 ZINC001258532954 991479010 /nfs/dbraw/zinc/47/90/10/991479010.db2.gz OEIPGXQGSFXJEP-PNESKVBLSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2n[nH]c(N(C)C)n2)CC1 ZINC001560466812 991480632 /nfs/dbraw/zinc/48/06/32/991480632.db2.gz BYWYLRQYPXRAET-ZJUUUORDSA-N 0 1 237.351 2.251 20 0 BEADMN CCCC1CCC(N2CC(=O)NC[C@H]2C)CC1 ZINC001258534043 991483816 /nfs/dbraw/zinc/48/38/16/991483816.db2.gz KERKEOCBXDRZAM-PNESKVBLSA-N 0 1 238.375 2.166 20 0 BEADMN CCCC1CCC(N2CC(NC(C)=O)C2)CC1 ZINC001258534129 991484490 /nfs/dbraw/zinc/48/44/90/991484490.db2.gz NFIJYSSKDOMMOT-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CSc1nccc(CN2CCC[C@@H](C)C2)n1 ZINC001140033227 991490042 /nfs/dbraw/zinc/49/00/42/991490042.db2.gz UKRBTAQAVPUZKA-SNVBAGLBSA-N 0 1 237.372 2.430 20 0 BEADMN CSc1nccc(CN2CCC(C)CC2)n1 ZINC001140032634 991490135 /nfs/dbraw/zinc/49/01/35/991490135.db2.gz GKGAYKDNKVHZGS-UHFFFAOYSA-N 0 1 237.372 2.430 20 0 BEADMN CSc1nccc(CN(C)C(C)C)n1 ZINC001140032644 991491063 /nfs/dbraw/zinc/49/10/63/991491063.db2.gz GPDLEUFGQMMIQJ-UHFFFAOYSA-N 0 1 211.334 2.039 20 0 BEADMN Cc1cnc(CN)n1[C@H]1CCC(C)(C)C1 ZINC001258595907 991494312 /nfs/dbraw/zinc/49/43/12/991494312.db2.gz PGZHMCJKZGUJHF-JTQLQIEISA-N 0 1 207.321 2.401 20 0 BEADMN Cc1cnc(CN)n1[C@@H]1CCC(C)(C)C1 ZINC001258595908 991496094 /nfs/dbraw/zinc/49/60/94/991496094.db2.gz PGZHMCJKZGUJHF-SNVBAGLBSA-N 0 1 207.321 2.401 20 0 BEADMN CN(Cc1cc(O)ccc1F)C1CCOCC1 ZINC001140050420 991503033 /nfs/dbraw/zinc/50/30/33/991503033.db2.gz KGCXDEVZSHBWBT-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN c1nscc1CNC1([C@@H]2CCCCO2)CC1 ZINC001560600371 991511747 /nfs/dbraw/zinc/51/17/47/991511747.db2.gz HUVJTWHBWSWALI-NSHDSACASA-N 0 1 238.356 2.334 20 0 BEADMN OC[C@H]1CCCN1Cc1ccc(O)cc1Cl ZINC001140082013 991516534 /nfs/dbraw/zinc/51/65/34/991516534.db2.gz JSGURFZCYCYOSU-SNVBAGLBSA-N 0 1 241.718 2.002 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NCc1cn(C2CCC2)nn1 ZINC001560625037 991524706 /nfs/dbraw/zinc/52/47/06/991524706.db2.gz GZHKPOAKAKOPKL-QWHCGFSZSA-N 0 1 234.347 2.137 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001258620099 991543636 /nfs/dbraw/zinc/54/36/36/991543636.db2.gz CZYFZSAZPHMJEH-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001258620101 991545928 /nfs/dbraw/zinc/54/59/28/991545928.db2.gz CZYFZSAZPHMJEH-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN CCN(CCCCC(C)C)CC(=O)OC ZINC001560688740 991559266 /nfs/dbraw/zinc/55/92/66/991559266.db2.gz RNMCRWXWVJOCKR-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN COc1cccc(-c2ncc(CN(C)C)cn2)c1 ZINC001140191495 991556227 /nfs/dbraw/zinc/55/62/27/991556227.db2.gz FIGBHTKCTPOERO-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001258623908 991558376 /nfs/dbraw/zinc/55/83/76/991558376.db2.gz JWAAXIYZPORGIF-SAXRGWBVSA-N 0 1 234.318 2.302 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCCCC12COC2 ZINC001258627862 991565725 /nfs/dbraw/zinc/56/57/25/991565725.db2.gz LNOMGFRCFXGIQU-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCC[C@H](F)C1 ZINC001258627115 991566741 /nfs/dbraw/zinc/56/67/41/991566741.db2.gz HZJAEWYHWBNXPX-YPMHNXCESA-N 0 1 222.307 2.447 20 0 BEADMN Oc1cccc2[nH]cc(CN3CCC3)c21 ZINC001140231754 991568522 /nfs/dbraw/zinc/56/85/22/991568522.db2.gz OXYBPZIINVKSNA-UHFFFAOYSA-N 0 1 202.257 2.079 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCC(=O)C(C)(C)C1 ZINC001258629648 991569542 /nfs/dbraw/zinc/56/95/42/991569542.db2.gz FFMJKPORPACXHF-LBPRGKRZSA-N 0 1 246.354 2.314 20 0 BEADMN [O-]c1cnccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140273230 991578547 /nfs/dbraw/zinc/57/85/47/991578547.db2.gz HZCIAQYBEQSUEL-TXEJJXNPSA-N 0 1 232.327 2.409 20 0 BEADMN OC1CC2(C1)CN(Cc1ccc3c(c1)CCC3)C2 ZINC001203019112 991589169 /nfs/dbraw/zinc/58/91/69/991589169.db2.gz COGAYOIJFUPKPU-UHFFFAOYSA-N 0 1 243.350 2.132 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC(C)(F)C3)c2c1 ZINC001140328706 991605495 /nfs/dbraw/zinc/60/54/95/991605495.db2.gz KYZMEHAANRZKLF-UHFFFAOYSA-N 0 1 233.290 2.415 20 0 BEADMN Cc1cscc1CNCc1cccnc1N ZINC001560800223 991607533 /nfs/dbraw/zinc/60/75/33/991607533.db2.gz VUADNVAZUYKKCW-UHFFFAOYSA-N 0 1 233.340 2.324 20 0 BEADMN Cc1ccc2n[nH]c(CN(C)CCF)c2c1 ZINC001140331823 991610505 /nfs/dbraw/zinc/61/05/05/991610505.db2.gz NUZHSKSJHUPPPB-UHFFFAOYSA-N 0 1 221.279 2.273 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001318093650 991621490 /nfs/dbraw/zinc/62/14/90/991621490.db2.gz DERIGRUXFNYOSH-GHXNOFRVSA-N 0 1 238.375 2.285 20 0 BEADMN F[C@@H]1CCN(Cc2ccc3n[nH]cc3c2)C1 ZINC001140384263 991627658 /nfs/dbraw/zinc/62/76/58/991627658.db2.gz GNCXKEOGIMWHBQ-LLVKDONJSA-N 0 1 219.263 2.107 20 0 BEADMN Fc1cccnc1CN[C@@H]1C[C@H]1C1CCC1 ZINC001560897475 991640962 /nfs/dbraw/zinc/64/09/62/991640962.db2.gz CJQGGUOCLBIEOX-CMPLNLGQSA-N 0 1 220.291 2.499 20 0 BEADMN Fc1cccnc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC001560951894 991666560 /nfs/dbraw/zinc/66/65/60/991666560.db2.gz VEBCURBRLBBLHV-GDGBQDQQSA-N 0 1 206.264 2.109 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ncccc1F ZINC001560967440 991673344 /nfs/dbraw/zinc/67/33/44/991673344.db2.gz HXJBMINERQQOHC-BSTOTGJRSA-N 0 1 238.306 2.122 20 0 BEADMN Cn1ccc(CN2CCc3cc(O)ccc3C2)c1 ZINC001561053803 991709110 /nfs/dbraw/zinc/70/91/10/991709110.db2.gz MJGKJZKSVXNLRM-UHFFFAOYSA-N 0 1 242.322 2.289 20 0 BEADMN CC[C@H](C)C[C@H](CC)N(C)CC(=O)OC ZINC001258796442 991787171 /nfs/dbraw/zinc/78/71/71/991787171.db2.gz BYRTYLGFUOYCJY-QWRGUYRKSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2ncc(F)cn2)C1 ZINC001258806985 991806847 /nfs/dbraw/zinc/80/68/47/991806847.db2.gz CUATVZQNKZMPEU-MWLCHTKSSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)CCc1cc(C)[nH]n1 ZINC001565810776 991809349 /nfs/dbraw/zinc/80/93/49/991809349.db2.gz TUAYANZKBLVELF-MWLCHTKSSA-N 0 1 237.347 2.202 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591137463 991841738 /nfs/dbraw/zinc/84/17/38/991841738.db2.gz BTDINUOPDMUZCQ-QJPTWQEYSA-N 0 1 227.348 2.464 20 0 BEADMN CCO/C=C\C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC001566328974 991842251 /nfs/dbraw/zinc/84/22/51/991842251.db2.gz KDXPBCBPPSGDCA-SREVYHEPSA-N 0 1 245.282 2.360 20 0 BEADMN C[C@H]1CCC[C@H](N2CCc3c(ncn3C)C2)C1 ZINC001258825902 991852329 /nfs/dbraw/zinc/85/23/29/991852329.db2.gz GHKVSQUFKFRVAC-RYUDHWBXSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1CC(C)(O)C1 ZINC001258843583 991875267 /nfs/dbraw/zinc/87/52/67/991875267.db2.gz FQRYXLNAFFPJSD-ZDUSSCGKSA-N 0 1 219.328 2.074 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)[nH]n1 ZINC001319711972 991950929 /nfs/dbraw/zinc/95/09/29/991950929.db2.gz NFZYKRQEMVHTIO-VHSXEESVSA-N 0 1 225.361 2.044 20 0 BEADMN Cc1c(C(=O)NC[C@@H]2C[C@H]2C)ccc2cncn21 ZINC001319872149 992014258 /nfs/dbraw/zinc/01/42/58/992014258.db2.gz UUXWSWLATZLQAZ-KOLCDFICSA-N 0 1 243.310 2.029 20 0 BEADMN CCc1nnc(NC(=O)CC(C2CC2)C2CC2)[nH]1 ZINC001319887993 992020518 /nfs/dbraw/zinc/02/05/18/992020518.db2.gz KOOMWNFZKNBDTH-UHFFFAOYSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC(C2CC2)C2CC2)n1 ZINC001319887993 992020528 /nfs/dbraw/zinc/02/05/28/992020528.db2.gz KOOMWNFZKNBDTH-UHFFFAOYSA-N 0 1 248.330 2.132 20 0 BEADMN C=CC=CCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001567328187 992020695 /nfs/dbraw/zinc/02/06/95/992020695.db2.gz ORJCMSFXQSQZEA-ARJAWSKDSA-N 0 1 232.287 2.143 20 0 BEADMN C=CC=CCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001567328187 992020707 /nfs/dbraw/zinc/02/07/07/992020707.db2.gz ORJCMSFXQSQZEA-ARJAWSKDSA-N 0 1 232.287 2.143 20 0 BEADMN CCOCC[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001319924156 992033833 /nfs/dbraw/zinc/03/38/33/992033833.db2.gz IUIWERQLUXYQRR-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCc1nnc(NC(=O)[C@H](C)C2CCCC2)[nH]1 ZINC001320004970 992068335 /nfs/dbraw/zinc/06/83/35/992068335.db2.gz FZYNYGIOJPOHJI-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](C)C2CCCC2)n1 ZINC001320004970 992068340 /nfs/dbraw/zinc/06/83/40/992068340.db2.gz FZYNYGIOJPOHJI-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CC[C@@H](C)CC(=O)NC1CN(C[C@H](C)CC)C1 ZINC001567790359 992095035 /nfs/dbraw/zinc/09/50/35/992095035.db2.gz MOMRULRYYWQUQC-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H]1CCN(C(=O)CN(CC)C2CC2)[C@H]1C ZINC001567817087 992100163 /nfs/dbraw/zinc/10/01/63/992100163.db2.gz IZIOCRZWKCNDOL-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C/C=C/C=C\c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320213825 992136402 /nfs/dbraw/zinc/13/64/02/992136402.db2.gz VYFZKXUACGSKOH-MJMJCPQHSA-N 0 1 245.326 2.468 20 0 BEADMN CC(C)(C)ONC(=O)[C@@H]1CCc2cccc(O)c21 ZINC001261261496 992235429 /nfs/dbraw/zinc/23/54/29/992235429.db2.gz XZHJFMWJYAAEGK-SNVBAGLBSA-N 0 1 249.310 2.268 20 0 BEADMN Cc1c(C(=O)NC(C)(C)C)ccc2cncn21 ZINC001320692452 992318466 /nfs/dbraw/zinc/31/84/66/992318466.db2.gz VTNRKKQHYWPGAS-UHFFFAOYSA-N 0 1 231.299 2.171 20 0 BEADMN CCC/C(C)=C\C(=O)Nc1n[nH]c(CC)n1 ZINC001320713285 992328384 /nfs/dbraw/zinc/32/83/84/992328384.db2.gz GJFPTHVTIAFAPC-FPLPWBNLSA-N 0 1 222.292 2.052 20 0 BEADMN CCCC(C)=CC(=O)Nc1nc(CC)n[nH]1 ZINC001320713285 992328398 /nfs/dbraw/zinc/32/83/98/992328398.db2.gz GJFPTHVTIAFAPC-FPLPWBNLSA-N 0 1 222.292 2.052 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001569382689 992375448 /nfs/dbraw/zinc/37/54/48/992375448.db2.gz CQFXMRRGAFMJAS-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCN1CC(N(C)C(=O)CCC(C)C)C1 ZINC001569483278 992395583 /nfs/dbraw/zinc/39/55/83/992395583.db2.gz LZDYTSDASGVBEV-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCCCCCN1CC(N(C)C(=O)C(C)C)C1 ZINC001569483685 992396150 /nfs/dbraw/zinc/39/61/50/992396150.db2.gz SSKBDTKVRFJAQA-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC(=O)c1cccc(CSCc2nnc[nH]2)c1 ZINC001261657985 992449318 /nfs/dbraw/zinc/44/93/18/992449318.db2.gz SBNLIQDUCLLMDP-UHFFFAOYSA-N 0 1 247.323 2.441 20 0 BEADMN CCC(=O)CCN(C)CCC(F)(F)F ZINC001321091210 992455147 /nfs/dbraw/zinc/45/51/47/992455147.db2.gz SASQAKBOTHHYKH-UHFFFAOYSA-N 0 1 211.227 2.240 20 0 BEADMN C[N@@H+](C[Si](C)(C)C)C(C)(C)CC(=O)[O-] ZINC001598504547 992483787 /nfs/dbraw/zinc/48/37/87/992483787.db2.gz SPZGUDBSCJKSAE-UHFFFAOYSA-N 0 1 217.385 2.049 20 0 BEADMN COC[C@@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC001321240843 992501236 /nfs/dbraw/zinc/50/12/36/992501236.db2.gz JCCYQFZSMSFJSB-SNVBAGLBSA-N 0 1 240.322 2.334 20 0 BEADMN CC1=CC[C@@H](NCc2csnn2)CC1 ZINC001262011260 992598040 /nfs/dbraw/zinc/59/80/40/992598040.db2.gz FNRPYJIEXZJXBC-SECBINFHSA-N 0 1 209.318 2.127 20 0 BEADMN CC1=CC[C@H](NCc2csnn2)CC1 ZINC001262011261 992599759 /nfs/dbraw/zinc/59/97/59/992599759.db2.gz FNRPYJIEXZJXBC-VIFPVBQESA-N 0 1 209.318 2.127 20 0 BEADMN C[C@@H]1CC/C(=C\C(=O)NCc2cc(N)ccn2)C1 ZINC001262048559 992632750 /nfs/dbraw/zinc/63/27/50/992632750.db2.gz WWGZBDZINWHQDB-UEUZTHOGSA-N 0 1 245.326 2.026 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001573590423 992643134 /nfs/dbraw/zinc/64/31/34/992643134.db2.gz PPXGGBQYXPXJIT-AHLTXXRQSA-N 0 1 245.322 2.400 20 0 BEADMN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2)[C@@H]1C ZINC001573643124 992669222 /nfs/dbraw/zinc/66/92/22/992669222.db2.gz WTBGMZCYODRMSX-WISYIIOYSA-N 0 1 225.332 2.106 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573770318 992711666 /nfs/dbraw/zinc/71/16/66/992711666.db2.gz OVYUKGWYCLWQMU-VCDKRKBESA-N 0 1 239.359 2.464 20 0 BEADMN CC(C)=CC[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001262163372 992725437 /nfs/dbraw/zinc/72/54/37/992725437.db2.gz QVWIWUKDTRVYAD-VIFPVBQESA-N 0 1 240.328 2.042 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001573876612 992749445 /nfs/dbraw/zinc/74/94/45/992749445.db2.gz KDDDWPWWOPWSRG-WCBMZHEXSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCC1 ZINC001591573833 992779558 /nfs/dbraw/zinc/77/95/58/992779558.db2.gz TUHZBXHJYOHRAZ-ZJUUUORDSA-N 0 1 247.285 2.215 20 0 BEADMN Cc1[nH]c(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001574110919 992808386 /nfs/dbraw/zinc/80/83/86/992808386.db2.gz NQSDZIUSSINZOK-ZWNOBZJWSA-N 0 1 248.326 2.396 20 0 BEADMN COC[C@H]1CCCCN([C@H](C)c2ncccn2)C1 ZINC001262261328 992825063 /nfs/dbraw/zinc/82/50/63/992825063.db2.gz KZIAXUORYWBORZ-OLZOCXBDSA-N 0 1 249.358 2.286 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001574398617 992853642 /nfs/dbraw/zinc/85/36/42/992853642.db2.gz GRTMEHZKMPKWBA-JJEKRJTGSA-N 0 1 249.354 2.360 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1CCc1ccccc1 ZINC001574403169 992854674 /nfs/dbraw/zinc/85/46/74/992854674.db2.gz MEQYUTPZFWVGGF-MJBXVCDLSA-N 0 1 245.322 2.167 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccc[nH]2)nc1 ZINC001262363991 992858759 /nfs/dbraw/zinc/85/87/59/992858759.db2.gz JLLUZXMXSSMCGE-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN CCc1csc([C@H](C)N[C@H](C)[C@H](C)O)n1 ZINC001262574823 992913431 /nfs/dbraw/zinc/91/34/31/992913431.db2.gz ATQIAFXYTVDLQP-VGMNWLOBSA-N 0 1 228.361 2.125 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC001262646500 992995666 /nfs/dbraw/zinc/99/56/66/992995666.db2.gz DYHXGTINEKOJNQ-GFCCVEGCSA-N 0 1 235.331 2.133 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)c1cnc(C)[nH]1 ZINC001262646896 992996560 /nfs/dbraw/zinc/99/65/60/992996560.db2.gz PQSJXODAUVUPAZ-SNVBAGLBSA-N 0 1 221.304 2.123 20 0 BEADMN CC(C)(CNc1ccnc(N)n1)CC(F)F ZINC001262705124 993048346 /nfs/dbraw/zinc/04/83/46/993048346.db2.gz YYSQNTWVHCUCFB-UHFFFAOYSA-N 0 1 230.262 2.152 20 0 BEADMN CC(C)CCCCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001575565398 993068156 /nfs/dbraw/zinc/06/81/56/993068156.db2.gz LMEFOTVPKXAJNC-CHWSQXEVSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)N1CC(Nc2cnc3ccccc3n2)C1 ZINC000379105660 993219124 /nfs/dbraw/zinc/21/91/24/993219124.db2.gz HEONFIWODATRIP-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CC(C)N1CC(Nc2nccc3occc32)C1 ZINC000379113541 993219485 /nfs/dbraw/zinc/21/94/85/993219485.db2.gz WGBDTEPJGNHACV-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN C[C@@H]1C[C@@H](NC/C=C/C2CC2)c2nccn21 ZINC000379240973 993234725 /nfs/dbraw/zinc/23/47/25/993234725.db2.gz WVAFQMNYDAHVML-RXUHEVMZSA-N 0 1 217.316 2.445 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC1(C)CCC1 ZINC001263403999 993277713 /nfs/dbraw/zinc/27/77/13/993277713.db2.gz WBKXUCHLDJYRBI-NSHDSACASA-N 0 1 225.332 2.345 20 0 BEADMN CCC[C@H](CC)OC(=O)c1[nH]cnc1C ZINC001263412239 993290753 /nfs/dbraw/zinc/29/07/53/993290753.db2.gz VQKXSTWSQNGYOF-VIFPVBQESA-N 0 1 210.277 2.454 20 0 BEADMN Cc1nc(CN[C@H]2C[C@H](O)C2(C)C)c(C)s1 ZINC000381428172 993394277 /nfs/dbraw/zinc/39/42/77/993394277.db2.gz ZOTQBYQZJFIBCI-QWRGUYRKSA-N 0 1 240.372 2.009 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C)c1nnc[nH]1 ZINC001263572009 993394558 /nfs/dbraw/zinc/39/45/58/993394558.db2.gz GKNCVKNJNAJQLN-AJBSGBCOSA-N 0 1 249.314 2.091 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C)c1nnc[nH]1 ZINC001263572011 993395475 /nfs/dbraw/zinc/39/54/75/993395475.db2.gz GKNCVKNJNAJQLN-ORMBPQIASA-N 0 1 249.314 2.091 20 0 BEADMN C[C@@H]1CN(Cc2cnc(N)s2)CCC1(F)F ZINC000381447340 993396784 /nfs/dbraw/zinc/39/67/84/993396784.db2.gz BINUSQWGTPSONY-SSDOTTSWSA-N 0 1 247.314 2.033 20 0 BEADMN CC(C)c1nc(CN[C@@H](CO)C2CC2)cs1 ZINC000381453132 993397560 /nfs/dbraw/zinc/39/75/60/993397560.db2.gz IEXLJJAMWCYGEK-NSHDSACASA-N 0 1 240.372 2.127 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@](C)(CO)C1 ZINC000381850669 993429253 /nfs/dbraw/zinc/42/92/53/993429253.db2.gz ZHPRJZOXCQVNTL-HNNXBMFYSA-N 0 1 249.354 2.208 20 0 BEADMN CC(C)N1CC(Nc2ncnc3ccccc32)C1 ZINC000386093079 993679428 /nfs/dbraw/zinc/67/94/28/993679428.db2.gz PPBRZLZCDZNOFF-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN COC[C@@H](C)N[C@H](CF)c1ccccc1 ZINC000390007167 993771292 /nfs/dbraw/zinc/77/12/92/993771292.db2.gz XGPDSNWQPGGGNN-ZYHUDNBSSA-N 0 1 211.280 2.322 20 0 BEADMN CCOC(=O)c1nc2ccc(C)c(C)c2[nH]1 ZINC000390605723 993799643 /nfs/dbraw/zinc/79/96/43/993799643.db2.gz XOZQYYLFIFQOCA-UHFFFAOYSA-N 0 1 218.256 2.356 20 0 BEADMN CCCC(C)(C)C(=O)NCCCN(C)CCF ZINC001265029282 993813477 /nfs/dbraw/zinc/81/34/77/993813477.db2.gz YKIBVCPGJKOBMC-UHFFFAOYSA-N 0 1 246.370 2.220 20 0 BEADMN C[C@@H](C(=O)NCCCN(C)CCF)C(C)(C)C ZINC001265874950 993962390 /nfs/dbraw/zinc/96/23/90/993962390.db2.gz RBVUALFCQRYUPV-NSHDSACASA-N 0 1 246.370 2.076 20 0 BEADMN C(=C\C1CC1)\CN[C@@H]1CCCn2ccnc21 ZINC001332946422 994407473 /nfs/dbraw/zinc/40/74/73/994407473.db2.gz MGCZGALGBAFWKS-BIVBXWGWSA-N 0 1 217.316 2.274 20 0 BEADMN C(=C/C1CC1)\CN[C@@H]1CCCn2ccnc21 ZINC001332946424 994409316 /nfs/dbraw/zinc/40/93/16/994409316.db2.gz MGCZGALGBAFWKS-DPXBUVRWSA-N 0 1 217.316 2.274 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC001599645168 994415385 /nfs/dbraw/zinc/41/53/85/994415385.db2.gz PDVGANJRWMEDMC-ZJUUUORDSA-N 0 1 249.310 2.234 20 0 BEADMN CCn1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC001333745266 994509837 /nfs/dbraw/zinc/50/98/37/994509837.db2.gz HIHXBFLOWZPVPN-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN CCC[C@H](C)N(C)C(=O)CCN1CC[C@@H](F)C1 ZINC001290874155 994565114 /nfs/dbraw/zinc/56/51/14/994565114.db2.gz HKZCHYQYVHDISQ-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1cc(CCC(=O)NC[C@H]2CC=CCC2)n[nH]1 ZINC001292244670 994605144 /nfs/dbraw/zinc/60/51/44/994605144.db2.gz BQCCGCUVOFIKKH-LBPRGKRZSA-N 0 1 247.342 2.123 20 0 BEADMN CCN1CC[C@@H]1C(=O)N1CCC[C@H]1CC(C)C ZINC001292677592 994622637 /nfs/dbraw/zinc/62/26/37/994622637.db2.gz SWVGVKVEQUCBEA-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1[nH]nc2c1CN(C(=O)OC(C)(C)C)C2 ZINC001537820988 995047721 /nfs/dbraw/zinc/04/77/21/995047721.db2.gz BNKUIAKSGUPNQU-UHFFFAOYSA-N 0 1 237.303 2.223 20 0 BEADMN CC(C)Cc1cc(NCCc2ccn[nH]2)ncn1 ZINC001336702370 995083939 /nfs/dbraw/zinc/08/39/39/995083939.db2.gz WECDRMXWEKVAGQ-UHFFFAOYSA-N 0 1 245.330 2.053 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)[nH]1 ZINC001304108354 995188420 /nfs/dbraw/zinc/18/84/20/995188420.db2.gz UGRYTYBKDYBLAN-VXGBXAGGSA-N 0 1 249.358 2.441 20 0 BEADMN Fc1cc(NCc2ccc3nc[nH]c3c2)ncn1 ZINC001307165320 995298690 /nfs/dbraw/zinc/29/86/90/995298690.db2.gz FFFYMOJPDBVBOS-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN Fc1cccc(F)c1CCSc1cn[nH]n1 ZINC001307307964 995318372 /nfs/dbraw/zinc/31/83/72/995318372.db2.gz DBTAIXLDAJAWFK-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN Cc1cc(CN2[C@H](C)CC(O)C[C@H]2C)sn1 ZINC001307687346 995433552 /nfs/dbraw/zinc/43/35/52/995433552.db2.gz ZDZVLKFOISTGNC-NXEZZACHSA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC001307702173 995438772 /nfs/dbraw/zinc/43/87/72/995438772.db2.gz HWHSQFGRIMCQSU-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001307702173 995438774 /nfs/dbraw/zinc/43/87/74/995438774.db2.gz HWHSQFGRIMCQSU-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]([C@H](C)O)N1CC[C@](F)(c2ccccc2)C1 ZINC001307720571 995444061 /nfs/dbraw/zinc/44/40/61/995444061.db2.gz GLKGBBSAZMSIBT-MBNYWOFBSA-N 0 1 237.318 2.326 20 0 BEADMN COc1nscc1CN1CCC[C@H](C)C1 ZINC001307725965 995446879 /nfs/dbraw/zinc/44/68/79/995446879.db2.gz UKBMCUIGCZIRSJ-VIFPVBQESA-N 0 1 226.345 2.384 20 0 BEADMN CCC[C@@H]1CCCN1Cc1ncccn1 ZINC001308134055 995562384 /nfs/dbraw/zinc/56/23/84/995562384.db2.gz NIYDZHNPUUYHFA-LLVKDONJSA-N 0 1 205.305 2.241 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC(C)(C)C1 ZINC001593724427 996266681 /nfs/dbraw/zinc/26/66/81/996266681.db2.gz GPICTIIRIRKQMV-QMMMGPOBSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC(C)(C)C1 ZINC001593724427 996266686 /nfs/dbraw/zinc/26/66/86/996266686.db2.gz GPICTIIRIRKQMV-QMMMGPOBSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CCC1CC1 ZINC001593725067 996273735 /nfs/dbraw/zinc/27/37/35/996273735.db2.gz MAMZSXKZLUNWRE-MRVPVSSYSA-N 0 1 238.287 2.166 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001593903743 996776253 /nfs/dbraw/zinc/77/62/53/996776253.db2.gz KQBCBROIEFHFGC-BDAKNGLRSA-N 0 1 247.285 2.074 20 0 BEADMN CC1=C[C@H](C)C[N@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC001594109414 998193594 /nfs/dbraw/zinc/19/35/94/998193594.db2.gz GYHBMDVZJWZQJF-CMPLNLGQSA-N 0 1 225.332 2.384 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594113690 998229831 /nfs/dbraw/zinc/22/98/31/998229831.db2.gz RPOSUIHWJIAENY-QSLWVIQJSA-N 0 1 249.354 2.241 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CC2(CCC2)C1 ZINC001594166481 998630983 /nfs/dbraw/zinc/63/09/83/998630983.db2.gz VPEMFUCNGYGUJT-ZYHUDNBSSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(=O)[O-] ZINC001594216709 998833512 /nfs/dbraw/zinc/83/35/12/998833512.db2.gz WZHWKLXVSGIVOA-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@@H](C(=O)[O-])c1ccsc1 ZINC001594230406 998875237 /nfs/dbraw/zinc/87/52/37/998875237.db2.gz KBIUQKMPDKMDNY-KHQFGBGNSA-N 0 1 225.313 2.357 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@H](C(=O)[O-])c1ccsc1 ZINC001594230409 998875274 /nfs/dbraw/zinc/87/52/74/998875274.db2.gz KBIUQKMPDKMDNY-XKSSXDPKSA-N 0 1 225.313 2.357 20 0 BEADMN C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCC(=O)[O-])C1 ZINC001594272939 999057462 /nfs/dbraw/zinc/05/74/62/999057462.db2.gz WOTZYOQXCYBCIG-DGCLKSJQSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1C(=O)[O-] ZINC001594275432 999065336 /nfs/dbraw/zinc/06/53/36/999065336.db2.gz RJVVRRCGXLEANP-GZMMTYOYSA-N 0 1 248.282 2.039 20 0 BEADMN C[C@H]1CCC(C)(C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC001594296713 999143620 /nfs/dbraw/zinc/14/36/20/999143620.db2.gz XIKPAAMCLMTKRE-QMMMGPOBSA-N 0 1 238.287 2.136 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594301807 999165513 /nfs/dbraw/zinc/16/55/13/999165513.db2.gz IEDUPYHWTXLZAA-AOOOYVTPSA-N 0 1 236.315 2.096 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001594370031 999393614 /nfs/dbraw/zinc/39/36/14/999393614.db2.gz DUSZHONOGQLXQB-JTQLQIEISA-N 0 1 236.315 2.335 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C[C@H]1C ZINC001594423905 999585167 /nfs/dbraw/zinc/58/51/67/999585167.db2.gz KVFYYTNISIISNK-VHSXEESVSA-N 0 1 236.315 2.191 20 0 BEADMN CCCCO[C@H]1C[C@@H](N(C)CC(C)=O)C1(C)C ZINC001616166981 1170116647 /nfs/dbraw/zinc/11/66/47/1170116647.db2.gz AWCHSEPMPANLIP-OLZOCXBDSA-N 0 1 241.375 2.491 20 0 BEADMN CCn1ccc(CNC[C@H]2CCCCS2)n1 ZINC001620873417 1170162577 /nfs/dbraw/zinc/16/25/77/1170162577.db2.gz AJCNMPWRDSWHGB-GFCCVEGCSA-N 0 1 239.388 2.278 20 0 BEADMN CN(Cc1ccncc1)Cc1cccc(N)c1 ZINC000035359934 1170165158 /nfs/dbraw/zinc/16/51/58/1170165158.db2.gz DMKUGFHOMYYQRU-UHFFFAOYSA-N 0 1 227.311 2.296 20 0 BEADMN C[C@H](Cc1ccno1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC001621336762 1170197756 /nfs/dbraw/zinc/19/77/56/1170197756.db2.gz IOPUINTZIHSTDG-FOGDFJRCSA-N 0 1 246.314 2.098 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC001609008744 1170216993 /nfs/dbraw/zinc/21/69/93/1170216993.db2.gz JNJLJQYALRXCOY-SNVBAGLBSA-N 0 1 237.324 2.431 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001609825734 1170294087 /nfs/dbraw/zinc/29/40/87/1170294087.db2.gz QAHWIOYLTWRARB-LBPRGKRZSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001609825734 1170294093 /nfs/dbraw/zinc/29/40/93/1170294093.db2.gz QAHWIOYLTWRARB-LBPRGKRZSA-N 0 1 240.278 2.037 20 0 BEADMN CC1(C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@H]1C1CC1 ZINC001609819436 1170294237 /nfs/dbraw/zinc/29/42/37/1170294237.db2.gz YCJLUXOPDOSMDQ-LBPRGKRZSA-N 0 1 248.326 2.333 20 0 BEADMN CC[N@@H+](CCSC)Cc1ccoc1C(=O)[O-] ZINC001610002063 1170338466 /nfs/dbraw/zinc/33/84/66/1170338466.db2.gz PJHVZKPLTBETHN-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1c[nH]c(C(=O)[O-])c1 ZINC001610000902 1170337425 /nfs/dbraw/zinc/33/74/25/1170337425.db2.gz PBMXGUIURBBAOS-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN C[N@@H+](CC1(C(=O)[O-])CC1)[C@@H]1CCC(C)(C)C1 ZINC001610111806 1170350200 /nfs/dbraw/zinc/35/02/00/1170350200.db2.gz XMTCBTYRWFJSQL-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](Cc1ccc2c(c1)COC2)C(C)(C)C(=O)[O-] ZINC001610123728 1170353879 /nfs/dbraw/zinc/35/38/79/1170353879.db2.gz KUYQLHHJMMBECV-UHFFFAOYSA-N 0 1 249.310 2.012 20 0 BEADMN Cn1cc(C[N@H+]2CCC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001610602471 1170389819 /nfs/dbraw/zinc/38/98/19/1170389819.db2.gz DMZOBMSKBQBLTL-LBPRGKRZSA-N 0 1 248.326 2.098 20 0 BEADMN C[C@H](c1ccccc1)N(CCO)CCF ZINC001616441739 1170553952 /nfs/dbraw/zinc/55/39/52/1170553952.db2.gz PBFAUKFYHYOCMB-LLVKDONJSA-N 0 1 211.280 2.011 20 0 BEADMN CC(C)C[C@H](C)N1CCn2nccc2C1 ZINC001620449943 1170672376 /nfs/dbraw/zinc/67/23/76/1170672376.db2.gz FGVCZRKPJNYEMS-NSHDSACASA-N 0 1 207.321 2.133 20 0 BEADMN O=c1[n-]c(C2CC2)nc2c1C[N@@H+](C1CCCC1)C2 ZINC001620551419 1170679051 /nfs/dbraw/zinc/67/90/51/1170679051.db2.gz PVVOJDDGCHMRNL-UHFFFAOYSA-N 0 1 245.326 2.318 20 0 BEADMN O=c1[n-]c(C2CC2)nc2c1C[N@H+](C1CCCC1)C2 ZINC001620551419 1170679056 /nfs/dbraw/zinc/67/90/56/1170679056.db2.gz PVVOJDDGCHMRNL-UHFFFAOYSA-N 0 1 245.326 2.318 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2OCc3ccccc32)n1 ZINC001621105336 1170716166 /nfs/dbraw/zinc/71/61/66/1170716166.db2.gz OCUBQJJVTGWISK-CYBMUJFWSA-N 0 1 243.310 2.079 20 0 BEADMN CC(C)(CNCc1ccon1)C1=CCOCC1 ZINC001621105596 1170717907 /nfs/dbraw/zinc/71/79/07/1170717907.db2.gz UZVOJISWKOUPPZ-UHFFFAOYSA-N 0 1 236.315 2.137 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NCc1cc2n(n1)CCCC2 ZINC001621111875 1170721716 /nfs/dbraw/zinc/72/17/16/1170721716.db2.gz SPFWBADPNNUSRF-UONOGXRCSA-N 0 1 233.359 2.354 20 0 BEADMN CO[C@H]1CCN(Cc2cn(C3CC3)cn2)[C@@H](C)C1 ZINC001621279216 1170762951 /nfs/dbraw/zinc/76/29/51/1170762951.db2.gz PBLJIBPTQVTMLT-FZMZJTMJSA-N 0 1 249.358 2.217 20 0 BEADMN COc1nc(CN2C[C@@H](C)[C@@H]2C)ccc1C ZINC001621360020 1170777969 /nfs/dbraw/zinc/77/79/69/1170777969.db2.gz UDAPYOFDPUJJFZ-MNOVXSKESA-N 0 1 220.316 2.239 20 0 BEADMN CS[C@@H]1CCN(Cc2ncccc2F)C1 ZINC001621359527 1170779555 /nfs/dbraw/zinc/77/95/55/1170779555.db2.gz GQDWOEVDSYCSBX-SECBINFHSA-N 0 1 226.320 2.158 20 0 BEADMN FC[C@@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001621495869 1170827294 /nfs/dbraw/zinc/82/72/94/1170827294.db2.gz FTEVPSIKCAINEW-JTQLQIEISA-N 0 1 223.295 2.009 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@]1(C)CCCS1 ZINC001621562071 1170849764 /nfs/dbraw/zinc/84/97/64/1170849764.db2.gz MEKLAAHCVLYGQK-LBPRGKRZSA-N 0 1 239.388 2.138 20 0 BEADMN Cc1c[nH+]c(Nc2ccc(C(=O)[O-])cc2)c(N)c1 ZINC000036242899 1170911950 /nfs/dbraw/zinc/91/19/50/1170911950.db2.gz LUYYVSBKMUGPOI-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN NCc1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440750 1170948597 /nfs/dbraw/zinc/94/85/97/1170948597.db2.gz SWNAJTJKNQRGDO-UHFFFAOYSA-N 0 1 221.691 2.483 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001627398240 1171167881 /nfs/dbraw/zinc/16/78/81/1171167881.db2.gz CHRILHFMFMYXGY-IUCAKERBSA-N 0 1 239.294 2.105 20 0 BEADMN CC1(C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC001628457882 1171237094 /nfs/dbraw/zinc/23/70/94/1171237094.db2.gz RPDINXCWKMSUTD-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN Cc1cc(C)nc(-c2ccccc2O)n1 ZINC000043465357 1171290698 /nfs/dbraw/zinc/29/06/98/1171290698.db2.gz DORDGBGMEPLPQJ-UHFFFAOYSA-N 0 1 200.241 2.466 20 0 BEADMN C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(F)F ZINC001629584819 1171328618 /nfs/dbraw/zinc/32/86/18/1171328618.db2.gz BESKENOPPLTYKR-SECBINFHSA-N 0 1 248.317 2.021 20 0 BEADMN CCCNCc1nc(-c2cccc(F)c2)no1 ZINC000044626002 1171399924 /nfs/dbraw/zinc/39/99/24/1171399924.db2.gz MGLDQUQHVCXANJ-UHFFFAOYSA-N 0 1 235.262 2.375 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C)CC(C)C)n[nH]1 ZINC001631204783 1171446464 /nfs/dbraw/zinc/44/64/64/1171446464.db2.gz SLBFPFFWUQURDW-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000048068981 1171587306 /nfs/dbraw/zinc/58/73/06/1171587306.db2.gz ZFJNMAIKPSREGD-RYUDHWBXSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H]([C@H](C)C(=O)NCc1cnc[nH]1)C(C)(C)C ZINC001634073539 1171622192 /nfs/dbraw/zinc/62/21/92/1171622192.db2.gz DYIPDAMUKIAQNK-VHSXEESVSA-N 0 1 237.347 2.344 20 0 BEADMN O=C(CCN1CC[C@H](F)C1)Nc1ccsc1 ZINC001634301934 1171640504 /nfs/dbraw/zinc/64/05/04/1171640504.db2.gz HSSCDSNXEKLFHO-VIFPVBQESA-N 0 1 242.319 2.121 20 0 BEADMN C[C@H](NC(=O)c1[nH]ncc1F)c1ccsc1 ZINC001635117992 1171698716 /nfs/dbraw/zinc/69/87/16/1171698716.db2.gz XKGHWGYORMXPBY-LURJTMIESA-N 0 1 239.275 2.101 20 0 BEADMN Cc1cc(CCC(=O)NC2(C3(C)CC3)CC2)n[nH]1 ZINC001635350967 1171721922 /nfs/dbraw/zinc/72/19/22/1171721922.db2.gz JCHVHHWUVOHABG-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN CCCC[C@H](C)C(=O)NCc1cnc(CC)[nH]1 ZINC001635610649 1171741054 /nfs/dbraw/zinc/74/10/54/1171741054.db2.gz QBCJWTXTNXNXLS-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC2(CCC2)C1 ZINC001635913216 1171772564 /nfs/dbraw/zinc/77/25/64/1171772564.db2.gz ICAUGMCOUJEDGW-UHFFFAOYSA-N 0 1 235.258 2.157 20 0 BEADMN CCN(CCOC)Cc1ccc(C(C)=O)cc1 ZINC000295535088 398135388 /nfs/dbraw/zinc/13/53/88/398135388.db2.gz NUAKNAKQXZSSKQ-UHFFFAOYSA-N 0 1 235.327 2.358 20 0 BEADMN C[C@H](C[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000572370476 398135885 /nfs/dbraw/zinc/13/58/85/398135885.db2.gz SBQTWTJLJABLEF-SECBINFHSA-N 0 1 249.301 2.464 20 0 BEADMN CC/C=C/CN[C@H]1C[C@H](C)n2ccnc21 ZINC000296388413 398137972 /nfs/dbraw/zinc/13/79/72/398137972.db2.gz JZVURHUUMFDPJL-NNOMMRTBSA-N 0 1 205.305 2.445 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000062134129 349438450 /nfs/dbraw/zinc/43/84/50/349438450.db2.gz SSSXHDRLTJSDLC-WXJAXGNASA-N 0 1 231.295 2.106 20 0 BEADMN CCOC(=O)CN(CC)C[C@H]1CC=CCC1 ZINC000092399453 398139406 /nfs/dbraw/zinc/13/94/06/398139406.db2.gz ACLKHJFBLOBKFG-LBPRGKRZSA-N 0 1 225.332 2.228 20 0 BEADMN COCC[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000268020348 538916391 /nfs/dbraw/zinc/91/63/91/538916391.db2.gz KHEZHURTOJIYOM-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN FCCCCNc1ncc(Cl)s1 ZINC000379327525 398141837 /nfs/dbraw/zinc/14/18/37/398141837.db2.gz KZKAWPQGCDNVOO-UHFFFAOYSA-N 0 1 208.689 2.380 20 0 BEADMN Cc1cc(CNCc2ccccn2)cc(C)n1 ZINC000421374271 192321817 /nfs/dbraw/zinc/32/18/17/192321817.db2.gz HGNVCNPZNUTGHV-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCC(CC)(CCO)NCc1nc(C)c(C)o1 ZINC000338373573 168321443 /nfs/dbraw/zinc/32/14/43/168321443.db2.gz ZTTDJHOCQAMNNZ-UHFFFAOYSA-N 0 1 240.347 2.322 20 0 BEADMN CC(C)CCC(=O)NCc1ccc2cncn2c1 ZINC000297355064 398144028 /nfs/dbraw/zinc/14/40/28/398144028.db2.gz UXCSXQBECJPNCJ-UHFFFAOYSA-N 0 1 245.326 2.387 20 0 BEADMN Cc1ncc(C(=O)N(CCC(C)C)C2CC2)[nH]1 ZINC000268563179 538917386 /nfs/dbraw/zinc/91/73/86/538917386.db2.gz GCGBVFATZOTBJV-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CO[C@@](C)(CNc1ccc2c(n1)CCC2)C1CC1 ZINC000385263756 398144592 /nfs/dbraw/zinc/14/45/92/398144592.db2.gz BKCOJKSIWSUKDZ-HNNXBMFYSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnn(C(C)C)c2)[nH]n1 ZINC000602286996 349492954 /nfs/dbraw/zinc/49/29/54/349492954.db2.gz SZDSUMVYEKZHOG-NSHDSACASA-N 0 1 247.346 2.346 20 0 BEADMN C[C@H]1CC[C@H](CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000621987459 370645100 /nfs/dbraw/zinc/64/51/00/370645100.db2.gz WDJOPDRWIZRKOD-QWRGUYRKSA-N 0 1 249.358 2.240 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCSC2)no1 ZINC000336714677 178022279 /nfs/dbraw/zinc/02/22/79/178022279.db2.gz WCXZPGIPYQDHCS-JTQLQIEISA-N 0 1 226.345 2.216 20 0 BEADMN CC(C)=CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062876471 349494824 /nfs/dbraw/zinc/49/48/24/349494824.db2.gz IDUMOVDOWXDTHI-LBPRGKRZSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1cc(CN2CC[C@H](C)[C@@H](C)C2)nn1C ZINC000336681158 178002166 /nfs/dbraw/zinc/00/21/66/178002166.db2.gz ZKNRHYGJBMDAFU-QWRGUYRKSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000389934537 398150880 /nfs/dbraw/zinc/15/08/80/398150880.db2.gz MKQXDXVXCLPRPS-VDTYLAMSSA-N 0 1 221.226 2.320 20 0 BEADMN Cc1cc(CNCCSC(C)C)no1 ZINC000336676096 178023145 /nfs/dbraw/zinc/02/31/45/178023145.db2.gz CBVZASKYWXELHG-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCCSC2)o1 ZINC000379789591 398168832 /nfs/dbraw/zinc/16/88/32/398168832.db2.gz XUOOCVFPDMBCTI-JTQLQIEISA-N 0 1 226.345 2.216 20 0 BEADMN Cc1cc(CNCc2cnn(C)c2)ccc1F ZINC000049943405 178025808 /nfs/dbraw/zinc/02/58/08/178025808.db2.gz GHNDMWYDILNYNO-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1cc(CNCc2cnn(C)c2C)cs1 ZINC000285808406 178026078 /nfs/dbraw/zinc/02/60/78/178026078.db2.gz HIMKOPMHVDQGMH-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1c(CNCc2ccc(F)c(C)c2)cnn1C ZINC000159660281 178026945 /nfs/dbraw/zinc/02/69/45/178026945.db2.gz GVQKWSRMXJCZRA-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CN(CCC(=O)OC(C)(C)C)CC1(F)CC1 ZINC000527510271 398169921 /nfs/dbraw/zinc/16/99/21/398169921.db2.gz MRDSQKQKJRVSGB-UHFFFAOYSA-N 0 1 231.311 2.152 20 0 BEADMN COCC[C@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900748 398170382 /nfs/dbraw/zinc/17/03/82/398170382.db2.gz VIAIJQVTKOJVOK-LBPRGKRZSA-N 0 1 222.332 2.247 20 0 BEADMN Cc1c([C@H](C)NCc2ccnc(C)c2)cnn1C ZINC000527537655 398171632 /nfs/dbraw/zinc/17/16/32/398171632.db2.gz DYXFYJWOHFPWIS-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnccc2C)n(C)n1 ZINC000284465636 178038121 /nfs/dbraw/zinc/03/81/21/178038121.db2.gz UEALAXNWOKJYGI-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc([C@H](C)NCCOC(C)(C)C)nn1C ZINC000558623456 398175138 /nfs/dbraw/zinc/17/51/38/398175138.db2.gz UFLXMTJCEOOEPV-NSHDSACASA-N 0 1 239.363 2.194 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000177145633 136216722 /nfs/dbraw/zinc/21/67/22/136216722.db2.gz IQNDRTCZWZBLSD-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN Cn1ccc(CN2CCC(C)(C3CC3)CC2)n1 ZINC000336444603 398179264 /nfs/dbraw/zinc/17/92/64/398179264.db2.gz JSUUJUGUKXCOHH-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H](c1cnccn1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649908590 398183855 /nfs/dbraw/zinc/18/38/55/398183855.db2.gz RWMQYFQSDIXDSC-MWLCHTKSSA-N 0 1 239.269 2.269 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)c2ccsc2)n[nH]1 ZINC000161898805 178055450 /nfs/dbraw/zinc/05/54/50/178055450.db2.gz CXFRMAGKZFFMLL-MRVPVSSYSA-N 0 1 249.339 2.141 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000155870428 178057262 /nfs/dbraw/zinc/05/72/62/178057262.db2.gz UEGJDEKQXGTRLZ-FGEFZZPRSA-N 0 1 249.358 2.368 20 0 BEADMN Cc1cc(Cc2nc([C@H](C)C3CC3)no2)[nH]n1 ZINC000274151611 178059366 /nfs/dbraw/zinc/05/93/66/178059366.db2.gz YVAKNBBOYGQABX-MRVPVSSYSA-N 0 1 232.287 2.205 20 0 BEADMN C[C@@H](CCO)CCNc1ncc(Cl)s1 ZINC000649384554 398190745 /nfs/dbraw/zinc/19/07/45/398190745.db2.gz HLKGUQNPNDXEGD-SSDOTTSWSA-N 0 1 234.752 2.039 20 0 BEADMN C[C@@H](Nc1ccc2cnccc2c1)[C@H](C)O ZINC000520570073 398194556 /nfs/dbraw/zinc/19/45/56/398194556.db2.gz KSFXSEIQPHENIY-ZJUUUORDSA-N 0 1 216.284 2.416 20 0 BEADMN Cc1cc(N(C)[C@@H](C)CO)c2cc(F)ccc2n1 ZINC000282943102 178101057 /nfs/dbraw/zinc/10/10/57/178101057.db2.gz YKFGGRSXQHAHTC-JTQLQIEISA-N 0 1 248.301 2.499 20 0 BEADMN C[C@H](O)[C@H](C)Nc1ccc2cnccc2c1 ZINC000520570071 398194731 /nfs/dbraw/zinc/19/47/31/398194731.db2.gz KSFXSEIQPHENIY-UWVGGRQHSA-N 0 1 216.284 2.416 20 0 BEADMN FC1(F)CC[C@H](CN2CCc3c[nH]nc3C2)C1 ZINC000649393209 398198290 /nfs/dbraw/zinc/19/82/90/398198290.db2.gz RJMHRCOGIQEQCV-VIFPVBQESA-N 0 1 241.285 2.203 20 0 BEADMN CC/C=C/CCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913508 398184809 /nfs/dbraw/zinc/18/48/09/398184809.db2.gz MNCSQOBBKFGOLB-FBVTZJDUSA-N 0 1 239.359 2.221 20 0 BEADMN CCC(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268998668 168340213 /nfs/dbraw/zinc/34/02/13/168340213.db2.gz QETVOEIQPODGNE-NSHDSACASA-N 0 1 235.331 2.340 20 0 BEADMN Cc1cc(N2CC[C@@H](O)C2)c2cc(F)ccc2n1 ZINC000268813179 178118430 /nfs/dbraw/zinc/11/84/30/178118430.db2.gz MSCHBJYCPFOTRC-LLVKDONJSA-N 0 1 246.285 2.253 20 0 BEADMN CC1(CNC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000576273694 365544886 /nfs/dbraw/zinc/54/48/86/365544886.db2.gz WMQZADODKHKMKY-UHFFFAOYSA-N 0 1 247.273 2.232 20 0 BEADMN Cc1cc(NC(C)(C)CCC(=O)[O-])nc(C)[nH+]1 ZINC000050196251 178153084 /nfs/dbraw/zinc/15/30/84/178153084.db2.gz NEZHPIZJMIGBPD-UHFFFAOYSA-N 0 1 237.303 2.149 20 0 BEADMN Cc1occc1CNC(C)(C)c1cnn(C)c1 ZINC000576447558 365596965 /nfs/dbraw/zinc/59/69/65/365596965.db2.gz YAVGVGBGTLOKLJ-UHFFFAOYSA-N 0 1 233.315 2.346 20 0 BEADMN CCC(CC)CN(CC)C(=O)Cc1ccn[nH]1 ZINC000174634338 168347798 /nfs/dbraw/zinc/34/77/98/168347798.db2.gz IEVWCTVIGLUJAK-UHFFFAOYSA-N 0 1 237.347 2.237 20 0 BEADMN CC(C)[C@@H](NCC(F)F)[C@@H](CO)C(C)C ZINC000650026846 398222368 /nfs/dbraw/zinc/22/23/68/398222368.db2.gz ALIWSXCRDCRHML-GXSJLCMTSA-N 0 1 223.307 2.130 20 0 BEADMN Cc1nc(CN2C[C@H](C)Cc3ccccc32)n[nH]1 ZINC000428216500 398222396 /nfs/dbraw/zinc/22/23/96/398222396.db2.gz PUFBQCPNGLENBB-SNVBAGLBSA-N 0 1 242.326 2.312 20 0 BEADMN Cc1nc(CN2CCCc3ccc(C)cc32)n[nH]1 ZINC000428218299 398222506 /nfs/dbraw/zinc/22/25/06/398222506.db2.gz VVLAZKMYQDCLQP-UHFFFAOYSA-N 0 1 242.326 2.374 20 0 BEADMN CC(C)(C)OC(=O)NCc1ccc2cncn2c1 ZINC000497125580 259302510 /nfs/dbraw/zinc/30/25/10/259302510.db2.gz GNIAUXXKHZMTRO-UHFFFAOYSA-N 0 1 247.298 2.359 20 0 BEADMN CCC(CC)CN1CCn2ccnc2C1 ZINC000336645020 168351944 /nfs/dbraw/zinc/35/19/44/168351944.db2.gz HJJMPDHXDMYDDW-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000279602225 178202638 /nfs/dbraw/zinc/20/26/38/178202638.db2.gz XDCOPYOYKYROLE-WCABBAIRSA-N 0 1 235.331 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000279602225 178202640 /nfs/dbraw/zinc/20/26/40/178202640.db2.gz XDCOPYOYKYROLE-WCABBAIRSA-N 0 1 235.331 2.139 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000629881658 361752628 /nfs/dbraw/zinc/75/26/28/361752628.db2.gz YACYDMFZJMMTII-OTDNITJGSA-N 0 1 233.315 2.228 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000227580778 259303124 /nfs/dbraw/zinc/30/31/24/259303124.db2.gz JKWUIBGCSCDXHC-YPMHNXCESA-N 0 1 233.311 2.290 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000629882976 361753840 /nfs/dbraw/zinc/75/38/40/361753840.db2.gz RCBHVJNIAPTEGN-QUCGXOGASA-N 0 1 233.315 2.228 20 0 BEADMN Cc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000164467227 361759251 /nfs/dbraw/zinc/75/92/51/361759251.db2.gz JCENVBNZNXBVSS-KPWYMIHSSA-N 0 1 229.345 2.006 20 0 BEADMN c1cc(CN2CC[C@@]23CCOC3)cs1 ZINC000421398239 192329055 /nfs/dbraw/zinc/32/90/55/192329055.db2.gz NYFYGSSGUUNHOV-NSHDSACASA-N 0 1 209.314 2.113 20 0 BEADMN CCOc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421395657 192329479 /nfs/dbraw/zinc/32/94/79/192329479.db2.gz ISRFTYXXHXNVQR-OAHLLOKOSA-N 0 1 247.338 2.450 20 0 BEADMN COc1ccccc1CN1CC[C@]12CCOC2 ZINC000421397752 192329831 /nfs/dbraw/zinc/32/98/31/192329831.db2.gz MVIGDEYXQOKKQB-CQSZACIVSA-N 0 1 233.311 2.060 20 0 BEADMN COc1cc(CN2CC[C@]23CCOC3)ccc1C ZINC000421404019 192331263 /nfs/dbraw/zinc/33/12/63/192331263.db2.gz OVJYTGROXCHWCE-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN C/C(=C\c1ccccc1)CN1CCC[C@H]1C(N)=O ZINC000179581230 259304403 /nfs/dbraw/zinc/30/44/03/259304403.db2.gz BMCWZDGDNXPLMY-WONIAPNHSA-N 0 1 244.338 2.040 20 0 BEADMN c1c2cccnc2oc1CN1CC[C@]12CCOC2 ZINC000421399576 192331511 /nfs/dbraw/zinc/33/15/11/192331511.db2.gz IMWWFDCAIBIYHE-CQSZACIVSA-N 0 1 244.294 2.193 20 0 BEADMN Cc1cc([C@@H](C)NCC[C@H](C)F)no1 ZINC000308655326 178224865 /nfs/dbraw/zinc/22/48/65/178224865.db2.gz NUFBBFRFGAQBOU-IONNQARKSA-N 0 1 200.257 2.382 20 0 BEADMN Cc1cc([C@@H](C)NCCc2c(C)noc2C)no1 ZINC000281038398 178225456 /nfs/dbraw/zinc/22/54/56/178225456.db2.gz PUPYRWYDIWJAGK-SNVBAGLBSA-N 0 1 249.314 2.481 20 0 BEADMN Cc1cc([C@@H](C)NCCCC(C)(C)CO)no1 ZINC000340476487 178225533 /nfs/dbraw/zinc/22/55/33/178225533.db2.gz QSQKKSMYMWIDBB-LLVKDONJSA-N 0 1 240.347 2.432 20 0 BEADMN Cc1cc([C@@H](C)NCCc2cccnc2)no1 ZINC000280983384 178227213 /nfs/dbraw/zinc/22/72/13/178227213.db2.gz LJVGGDKWUSXSFZ-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CO)C2CCCC2)no1 ZINC000353477876 178233387 /nfs/dbraw/zinc/23/33/87/178233387.db2.gz DBYNBBIRKJAPHU-ZWNOBZJWSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1ccc(O)c(NC(=O)CN(C)C2CCC2)c1 ZINC000629952182 361797056 /nfs/dbraw/zinc/79/70/56/361797056.db2.gz RYWIAVNBYXGWJG-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CCCOCCOc1cccc(-c2nnc[nH]2)c1 ZINC000649434455 398235325 /nfs/dbraw/zinc/23/53/25/398235325.db2.gz MMJFEJAFMWFHRU-UHFFFAOYSA-N 0 1 247.298 2.277 20 0 BEADMN Cc1cc([C@H](C)NCCC(C)(F)F)nn1C ZINC000297459637 178247147 /nfs/dbraw/zinc/24/71/47/178247147.db2.gz XRLKVODENLAPIH-VIFPVBQESA-N 0 1 231.290 2.424 20 0 BEADMN Cc1cc([C@H](C)NCC2(C)OCCO2)c(C)o1 ZINC000278877683 178247610 /nfs/dbraw/zinc/24/76/10/178247610.db2.gz XPOJVZVEQNCEMB-JTQLQIEISA-N 0 1 239.315 2.310 20 0 BEADMN Cc1cc([C@H](C)NCC[C@@H](O)C(C)C)no1 ZINC000330364671 178248448 /nfs/dbraw/zinc/24/84/48/178248448.db2.gz ULCMAPOEJPNUPK-CMPLNLGQSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](O)CC(C)(C)C)no1 ZINC000330492028 178250855 /nfs/dbraw/zinc/25/08/55/178250855.db2.gz IYUHFLNARYBIJF-WDEREUQCSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@H](C)NCc2cnnn2C)ccc1F ZINC000267754537 178251701 /nfs/dbraw/zinc/25/17/01/178251701.db2.gz MUKOICOFGZLMBL-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC000629961010 361806539 /nfs/dbraw/zinc/80/65/39/361806539.db2.gz GGJHQDXHBJVOIE-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCSC2)no1 ZINC000282741102 178255799 /nfs/dbraw/zinc/25/57/99/178255799.db2.gz NDYCKLFOLSUGTR-DTWKUNHWSA-N 0 1 212.318 2.139 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C(C)C)C(C)(C)O)no1 ZINC000340506986 178255967 /nfs/dbraw/zinc/25/59/67/178255967.db2.gz NEWNBWTZMSCYJO-CMPLNLGQSA-N 0 1 240.347 2.429 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@H]23)no1 ZINC000337532340 178256034 /nfs/dbraw/zinc/25/60/34/178256034.db2.gz DOQKUUBMRPOWJF-YGNMPJRFSA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CO)C2CCCC2)no1 ZINC000353477872 178257284 /nfs/dbraw/zinc/25/72/84/178257284.db2.gz DBYNBBIRKJAPHU-GXFFZTMASA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCO[C@@H]2C2CC2)no1 ZINC000368084992 178258062 /nfs/dbraw/zinc/25/80/62/178258062.db2.gz SFVLVLCSGKRIFA-XHVZSJERSA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[N@@H+](C)[C@@H]2C)no1 ZINC000353671442 178258258 /nfs/dbraw/zinc/25/82/58/178258258.db2.gz BDUXTAOCFAPRMG-TUAOUCFPSA-N 0 1 237.347 2.116 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cc(C(=O)OC)no1 ZINC000602441290 349527555 /nfs/dbraw/zinc/52/75/55/349527555.db2.gz WUFJWQKFGAAFED-SECBINFHSA-N 0 1 240.303 2.082 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CC1 ZINC000276756140 178276330 /nfs/dbraw/zinc/27/63/30/178276330.db2.gz NCYJQHMDVJEQNL-UHFFFAOYSA-N 0 1 215.256 2.220 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1ncc[nH]1 ZINC000285553714 538941739 /nfs/dbraw/zinc/94/17/39/538941739.db2.gz GUDJOLFKEDLHPF-LLVKDONJSA-N 0 1 231.299 2.139 20 0 BEADMN Cc1cc(NC(=O)CN(C)C2CCC2)ccc1O ZINC000629974354 361822747 /nfs/dbraw/zinc/82/27/47/361822747.db2.gz HQLCUMCNRPBASK-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1ccno1 ZINC000625678045 398243922 /nfs/dbraw/zinc/24/39/22/398243922.db2.gz OQAIKHOUVILOHY-DTORHVGOSA-N 0 1 228.242 2.437 20 0 BEADMN Cc1cccc(C[N@H+](C)CC2(C(=O)[O-])CC2)c1 ZINC000258907072 349534910 /nfs/dbraw/zinc/53/49/10/349534910.db2.gz LTIZDYVRNCUTSJ-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN [O-]c1coc2c1cc(Cl)cc2C1=CC[NH2+]CC1 ZINC000649443746 398245512 /nfs/dbraw/zinc/24/55/12/398245512.db2.gz KPBJJGACRIBAJV-UHFFFAOYSA-N 0 1 249.697 2.292 20 0 BEADMN Cc1oncc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444166 398246641 /nfs/dbraw/zinc/24/66/41/398246641.db2.gz GCRWGHDEIYUKDK-UHFFFAOYSA-N 0 1 217.150 2.392 20 0 BEADMN CCc1ccc(Cn2cc([C@@H](C)NC)nn2)cc1 ZINC000381273176 398249883 /nfs/dbraw/zinc/24/98/83/398249883.db2.gz SEADSRNOKNROBG-LLVKDONJSA-N 0 1 244.342 2.169 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@H](C)c2ncc[nH]2)n[nH]1 ZINC000286356764 538943635 /nfs/dbraw/zinc/94/36/35/538943635.db2.gz ZNIHYROCPWNVQN-BDAKNGLRSA-N 0 1 248.334 2.063 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000380800477 398251875 /nfs/dbraw/zinc/25/18/75/398251875.db2.gz HZETXIBIBBWYQJ-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cc(C(C)C)no1 ZINC000167736910 538944316 /nfs/dbraw/zinc/94/43/16/538944316.db2.gz GISMTTYHXQVKRH-VHSXEESVSA-N 0 1 226.320 2.311 20 0 BEADMN C[C@@H](NC[C@H]1COc2ccccc21)c1ncc[nH]1 ZINC000290522663 538946671 /nfs/dbraw/zinc/94/66/71/538946671.db2.gz ZBMNNDXFIQHZAB-MNOVXSKESA-N 0 1 243.310 2.237 20 0 BEADMN C[C@H](NCc1ncn(C)n1)[C@H]1CCCC[C@H]1C ZINC000449216626 398255548 /nfs/dbraw/zinc/25/55/48/398255548.db2.gz UHGVMBZZBZLURB-WOPDTQHZSA-N 0 1 236.363 2.120 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000173370400 538948500 /nfs/dbraw/zinc/94/85/00/538948500.db2.gz IXAQWIQDLAFOMS-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CCCN(CC(=O)OCC)C[C@](C)(CC)OC ZINC000602449987 349550977 /nfs/dbraw/zinc/55/09/77/349550977.db2.gz NLOZCMMFGDPUQL-ZDUSSCGKSA-N 0 1 245.363 2.077 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1cocn1 ZINC000191930394 168374077 /nfs/dbraw/zinc/37/40/77/168374077.db2.gz PPZHHXAOLWLQRM-UHFFFAOYSA-N 0 1 226.320 2.312 20 0 BEADMN CCC(CC)N(CCOC)Cc1cocn1 ZINC000191930394 168374078 /nfs/dbraw/zinc/37/40/78/168374078.db2.gz PPZHHXAOLWLQRM-UHFFFAOYSA-N 0 1 226.320 2.312 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1n[nH]cc1C ZINC000356050803 168374099 /nfs/dbraw/zinc/37/40/99/168374099.db2.gz GKBOGYFNFPRSIA-UHFFFAOYSA-N 0 1 239.363 2.355 20 0 BEADMN CCC(CC)N(CCOC)Cc1n[nH]cc1C ZINC000356050803 168374101 /nfs/dbraw/zinc/37/41/01/168374101.db2.gz GKBOGYFNFPRSIA-UHFFFAOYSA-N 0 1 239.363 2.355 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2ccn[nH]2)[C@H]1C(C)C ZINC000334745021 136232401 /nfs/dbraw/zinc/23/24/01/136232401.db2.gz VCIUNZZRGFRDRZ-JQWIXIFHSA-N 0 1 235.331 2.162 20 0 BEADMN Cc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1C ZINC000070075660 178399614 /nfs/dbraw/zinc/39/96/14/178399614.db2.gz HHXRXRZHSXOVML-BETUJISGSA-N 0 1 246.354 2.126 20 0 BEADMN NC(=O)c1csc(=N[C@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335381570 136234842 /nfs/dbraw/zinc/23/48/42/136234842.db2.gz WJFIHTDWNGXTJZ-RQJHMYQMSA-N 0 1 243.307 2.141 20 0 BEADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)nc1 ZINC000188874792 346847262 /nfs/dbraw/zinc/84/72/62/346847262.db2.gz XANYNGVLWCLKQC-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1ccccc1O ZINC000188917817 346850237 /nfs/dbraw/zinc/85/02/37/346850237.db2.gz NPJQSCRMTNGRIH-UHFFFAOYSA-N 0 1 245.282 2.491 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN1CCS(=O)CC1 ZINC000600118263 342674668 /nfs/dbraw/zinc/67/46/68/342674668.db2.gz UXIBSDJNBOMLGL-CHWSQXEVSA-N 0 1 243.416 2.267 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1F ZINC000650503763 398274308 /nfs/dbraw/zinc/27/43/08/398274308.db2.gz XIKTZILJUKHFCO-BXKDBHETSA-N 0 1 237.274 2.263 20 0 BEADMN Cc1ccc(CN(CCO)CC2(F)CC2)cc1 ZINC000527525033 262852277 /nfs/dbraw/zinc/85/22/77/262852277.db2.gz HOMBNFGILZRSCE-UHFFFAOYSA-N 0 1 237.318 2.291 20 0 BEADMN CSC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000600131289 342684580 /nfs/dbraw/zinc/68/45/80/342684580.db2.gz WWGDXFYNYYRRSA-QMMMGPOBSA-N 0 1 226.345 2.393 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cccc(F)c1 ZINC000650501096 398275005 /nfs/dbraw/zinc/27/50/05/398275005.db2.gz MZEZAQXNDXLGGO-BXKDBHETSA-N 0 1 237.274 2.263 20 0 BEADMN CSCCCN(C)Cc1cnc(C)o1 ZINC000600158113 342692721 /nfs/dbraw/zinc/69/27/21/342692721.db2.gz GUXPGZIEYVNZFZ-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN C/C=C\CNCc1ccc(C(=O)OCC)o1 ZINC000600206484 342700351 /nfs/dbraw/zinc/70/03/51/342700351.db2.gz ZIQJZWKIGNERKA-HYXAFXHYSA-N 0 1 223.272 2.122 20 0 BEADMN CC[C@@H](NC(=O)C1(N(C)C)CC1)[C@@H]1CC1(C)C ZINC000616339288 342717711 /nfs/dbraw/zinc/71/77/11/342717711.db2.gz FPEWTGQYNQTNEQ-WDEREUQCSA-N 0 1 238.375 2.022 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2ccno2)C12CCC2 ZINC000231884455 342741739 /nfs/dbraw/zinc/74/17/39/342741739.db2.gz VUUAMGXFGRECGU-NWDGAFQWSA-N 0 1 236.315 2.112 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000167088629 361861575 /nfs/dbraw/zinc/86/15/75/361861575.db2.gz VJDVLQGWEDDXHQ-DTWKUNHWSA-N 0 1 214.334 2.137 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000167088523 361861851 /nfs/dbraw/zinc/86/18/51/361861851.db2.gz VJDVLQGWEDDXHQ-BDAKNGLRSA-N 0 1 214.334 2.137 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000377103619 168382684 /nfs/dbraw/zinc/38/26/84/168382684.db2.gz NZRNJMQCGQBENG-SNVBAGLBSA-N 0 1 235.331 2.134 20 0 BEADMN C[C@@H]1CCCCN1Cc1cc2n(n1)CCC2 ZINC000649481347 398279274 /nfs/dbraw/zinc/27/92/74/398279274.db2.gz DTWDQEMZPCUDBA-LLVKDONJSA-N 0 1 219.332 2.204 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000019514890 168382860 /nfs/dbraw/zinc/38/28/60/168382860.db2.gz BVAWQSCYSRKIPW-AWEZNQCLSA-N 0 1 246.354 2.006 20 0 BEADMN C=Cc1ccc(C(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC001638216098 1172005486 /nfs/dbraw/zinc/00/54/86/1172005486.db2.gz NPAFCDNFESEYII-CQSZACIVSA-N 0 1 244.338 2.154 20 0 BEADMN Cc1cnccc1CCN1CCO[C@H](C(C)C)C1 ZINC000583932071 342728119 /nfs/dbraw/zinc/72/81/19/342728119.db2.gz TYKORJNWEZOBQK-HNNXBMFYSA-N 0 1 248.370 2.289 20 0 BEADMN CCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000041875325 342728893 /nfs/dbraw/zinc/72/88/93/342728893.db2.gz PCYARLVGWKIWHP-GFCCVEGCSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000399533876 342736098 /nfs/dbraw/zinc/73/60/98/342736098.db2.gz OCEAMDVXRXBYBH-GWCFXTLKSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC000630007132 361891499 /nfs/dbraw/zinc/89/14/99/361891499.db2.gz GIYHNYKEMHOZFA-OCCSQVGLSA-N 0 1 238.375 2.022 20 0 BEADMN COC[C@@H](N[C@H](C)c1cc(C)on1)C(C)C ZINC000309625208 342760504 /nfs/dbraw/zinc/76/05/04/342760504.db2.gz GFFWGUHGBLOIQP-ZYHUDNBSSA-N 0 1 226.320 2.305 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000513250758 529388870 /nfs/dbraw/zinc/38/88/70/529388870.db2.gz XVPFTZVIKQAOQD-FVCCEPFGSA-N 0 1 240.391 2.220 20 0 BEADMN CSCC[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000231929458 342761302 /nfs/dbraw/zinc/76/13/02/342761302.db2.gz OQCIRRHDQVCDIT-DCAQKATOSA-N 0 1 243.372 2.067 20 0 BEADMN CC(C)CN(Cc1cc2n(n1)CCC2)C1CC1 ZINC000649486715 398284223 /nfs/dbraw/zinc/28/42/23/398284223.db2.gz YOACUVRZNHNNOF-UHFFFAOYSA-N 0 1 233.359 2.450 20 0 BEADMN c1c(CN2C3CCC2CC3)nn2c1CCCC2 ZINC000649484731 398281885 /nfs/dbraw/zinc/28/18/85/398281885.db2.gz KMZGFSKFCDHRRF-UHFFFAOYSA-N 0 1 231.343 2.346 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000259930959 349617740 /nfs/dbraw/zinc/61/77/40/349617740.db2.gz FHQWZXQACHUOKG-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC000630003194 361886049 /nfs/dbraw/zinc/88/60/49/361886049.db2.gz WEUVLLJHCNHGLK-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000184468340 538968686 /nfs/dbraw/zinc/96/86/86/538968686.db2.gz QATZJIKOPOAPPS-NSHDSACASA-N 0 1 235.331 2.039 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccnn1C1CCCC1 ZINC000583974958 342800882 /nfs/dbraw/zinc/80/08/82/342800882.db2.gz BYWKELUHFMIRFF-KBPBESRZSA-N 0 1 249.358 2.265 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccnn1C1CCCC1 ZINC000583974959 342801017 /nfs/dbraw/zinc/80/10/17/342801017.db2.gz BYWKELUHFMIRFF-KGLIPLIRSA-N 0 1 249.358 2.265 20 0 BEADMN CC1(C)CN(CCOCC2CC2)C(C)(C)CO1 ZINC000607734516 342783668 /nfs/dbraw/zinc/78/36/68/342783668.db2.gz GGVNLPFXHPETSI-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC000335617939 136237951 /nfs/dbraw/zinc/23/79/51/136237951.db2.gz NKVUGCROZYHVSL-BDAKNGLRSA-N 0 1 227.739 2.352 20 0 BEADMN Cc1nsc(Nc2ccc(F)cn2)n1 ZINC000149485674 342794253 /nfs/dbraw/zinc/79/42/53/342794253.db2.gz XFLJTZVMJDWKPC-UHFFFAOYSA-N 0 1 210.237 2.124 20 0 BEADMN CCN1CC2(CCCC2)[N@H+](CC)C[C@H]1C ZINC000336265103 342795596 /nfs/dbraw/zinc/79/55/96/342795596.db2.gz YRFJIAHWNFFBMU-GFCCVEGCSA-N 0 1 210.365 2.345 20 0 BEADMN CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000032013863 342797176 /nfs/dbraw/zinc/79/71/76/342797176.db2.gz GFVXIYLPEMLCKP-SNVBAGLBSA-N 0 1 221.300 2.154 20 0 BEADMN Cc1ccccc1-n1[nH]c([C@@H]2CCOC2)cc1=O ZINC000634582610 342798564 /nfs/dbraw/zinc/79/85/64/342798564.db2.gz WYBRACHTUMGBIO-LLVKDONJSA-N 0 1 244.294 2.124 20 0 BEADMN Cc1cccc(-n2[nH]c([C@@H]3CCOC3)cc2=O)c1 ZINC000634582797 342799690 /nfs/dbraw/zinc/79/96/90/342799690.db2.gz BNCAHUSHBXKPSE-LLVKDONJSA-N 0 1 244.294 2.124 20 0 BEADMN C[N@@H+](Cc1ccoc1)[C@H]1CCCC[C@@H]1O ZINC000042448521 538977616 /nfs/dbraw/zinc/97/76/16/538977616.db2.gz PNMQXMVEEVRMFC-RYUDHWBXSA-N 0 1 209.289 2.015 20 0 BEADMN CC(C)CCN(C)Cc1cc2n(n1)CCC2 ZINC000649490919 398287970 /nfs/dbraw/zinc/28/79/70/398287970.db2.gz VKJUBNNPDMOMGZ-UHFFFAOYSA-N 0 1 221.348 2.307 20 0 BEADMN Cc1ccccc1CN(C)[C@@H]1CCCCNC1=O ZINC000009711300 342824690 /nfs/dbraw/zinc/82/46/90/342824690.db2.gz FOSBITLGQOSNQG-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN Cc1cnc(CCN2CCO[C@H](C)[C@@H]2C)c(C)c1 ZINC000335464623 398289507 /nfs/dbraw/zinc/28/95/07/398289507.db2.gz XMUDOUSIXMARNC-UONOGXRCSA-N 0 1 248.370 2.350 20 0 BEADMN O=C(CN1CCC[C@@H]1c1ccccc1)NC1CC1 ZINC000010087464 342833592 /nfs/dbraw/zinc/83/35/92/342833592.db2.gz QHISOJXXSAUGIC-CQSZACIVSA-N 0 1 244.338 2.102 20 0 BEADMN C[C@H]1CC[C@@H](CSc2nc(C3CC3)n[nH]2)O1 ZINC000189999538 538986835 /nfs/dbraw/zinc/98/68/35/538986835.db2.gz LUSAGRFJNDZAHQ-CBAPKCEASA-N 0 1 239.344 2.342 20 0 BEADMN C[C@H]1CC[C@@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000189999538 538986836 /nfs/dbraw/zinc/98/68/36/538986836.db2.gz LUSAGRFJNDZAHQ-CBAPKCEASA-N 0 1 239.344 2.342 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2cocn2)CS1 ZINC000380255121 538987877 /nfs/dbraw/zinc/98/78/77/538987877.db2.gz QBZBJUVHNTWJIM-GXSJLCMTSA-N 0 1 226.345 2.294 20 0 BEADMN C(NC1CC1)c1nc2c(s1)CCCC2 ZINC000045205920 538991877 /nfs/dbraw/zinc/99/18/77/538991877.db2.gz IDJWUXLNZZETPI-UHFFFAOYSA-N 0 1 208.330 2.274 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000071026387 361931386 /nfs/dbraw/zinc/93/13/86/361931386.db2.gz IFSNBXJMEGDHBR-QMMMGPOBSA-N 0 1 225.313 2.288 20 0 BEADMN CCc1nc(CN(CC)c2cccc(O)c2)n[nH]1 ZINC000191549654 538992604 /nfs/dbraw/zinc/99/26/04/538992604.db2.gz HPIQOODAOZHWTC-UHFFFAOYSA-N 0 1 246.314 2.099 20 0 BEADMN C[C@@H]1Oc2ccccc2[C@@H]1NC1CSC1 ZINC000379919354 538981606 /nfs/dbraw/zinc/98/16/06/538981606.db2.gz GEFYLBGDKIWEOW-QPUJVOFHSA-N 0 1 221.325 2.214 20 0 BEADMN CCOC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)C(C)C ZINC000189345108 538982128 /nfs/dbraw/zinc/98/21/28/538982128.db2.gz LEZHVAVCUPIDFW-GWCFXTLKSA-N 0 1 239.363 2.430 20 0 BEADMN Cc1cc(N2CCc3cnccc32)nc(C)n1 ZINC000189477687 538983298 /nfs/dbraw/zinc/98/32/98/538983298.db2.gz HGFAGCAUCUDKHN-UHFFFAOYSA-N 0 1 226.283 2.183 20 0 BEADMN C[C@H](NC(C)(C)C(F)F)C1CCOCC1 ZINC000380064159 538984023 /nfs/dbraw/zinc/98/40/23/538984023.db2.gz BPZOKNMLBPUEAV-QMMMGPOBSA-N 0 1 221.291 2.435 20 0 BEADMN CC(C)CCN(C)C(=O)c1cccc2nn[nH]c21 ZINC000189815454 538985333 /nfs/dbraw/zinc/98/53/33/538985333.db2.gz NEBQYEWFKCLCPF-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN Cc1nc([C@@H](C)NCCN2CCC2)c(C)s1 ZINC000381451322 539000744 /nfs/dbraw/zinc/00/07/44/539000744.db2.gz HJSXUKFGFOPAIE-SECBINFHSA-N 0 1 239.388 2.116 20 0 BEADMN Cc1cn2c(CN[C@H](C)CF)c(C)nc2s1 ZINC000381529557 539003477 /nfs/dbraw/zinc/00/34/77/539003477.db2.gz YJTFRJNRVLTGFF-SSDOTTSWSA-N 0 1 241.335 2.460 20 0 BEADMN CCc1cc(NC(=O)c2cn[nH]c2C(C)C)n[nH]1 ZINC000193466269 539005942 /nfs/dbraw/zinc/00/59/42/539005942.db2.gz CJUPOHHYWFCTNX-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN CCCC1(CNC(=O)CCc2cnc[nH]2)CC1 ZINC000193531491 539006459 /nfs/dbraw/zinc/00/64/59/539006459.db2.gz DIWMLCSAFWVVQR-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CCC(C)(C)CCN[C@@H](C)c1ncn(C)n1 ZINC000381047918 538994437 /nfs/dbraw/zinc/99/44/37/538994437.db2.gz DPCBSBIXNPJECH-JTQLQIEISA-N 0 1 224.352 2.292 20 0 BEADMN c1nc(CNC[C@H]2Cc3ccccc32)co1 ZINC000192307826 538994700 /nfs/dbraw/zinc/99/47/00/538994700.db2.gz QHVJGADVXHKNRC-LLVKDONJSA-N 0 1 214.268 2.104 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000381108260 538994959 /nfs/dbraw/zinc/99/49/59/538994959.db2.gz ZGUXNPKIZBXOMA-KOLCDFICSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1ncc([C@H](C)NCc2cncn2C)s1 ZINC000381249436 538997106 /nfs/dbraw/zinc/99/71/06/538997106.db2.gz OZBZPZJJNCIVHG-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN CC[C@]1(NCc2nc(C)c(C)s2)CCOC1 ZINC000381292259 538997473 /nfs/dbraw/zinc/99/74/73/538997473.db2.gz DQFXMIJMMFBJFL-LBPRGKRZSA-N 0 1 240.372 2.419 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)c1ccc(F)cc1 ZINC000192800457 538997540 /nfs/dbraw/zinc/99/75/40/538997540.db2.gz YDJXDWBJPPHORF-UHFFFAOYSA-N 0 1 247.273 2.144 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCCO2)cs1 ZINC000381399474 538999584 /nfs/dbraw/zinc/99/95/84/538999584.db2.gz PSKYKACXADQHRI-JOYOIKCWSA-N 0 1 240.372 2.499 20 0 BEADMN O=C([O-])C[N@H+](Cc1cccc(F)c1)CC1CC1 ZINC000036885908 398296110 /nfs/dbraw/zinc/29/61/10/398296110.db2.gz TUAYSRPKHQDHNL-UHFFFAOYSA-N 0 1 237.274 2.122 20 0 BEADMN C[C@@H](NC(C)(C)C(F)F)[C@@H]1CCCOC1 ZINC000390000163 539019975 /nfs/dbraw/zinc/01/99/75/539019975.db2.gz SHPYMHRKJKFJJV-RKDXNWHRSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1noc([C@H](C)NCC2CC(C)(C)C2)n1 ZINC000390482804 539022618 /nfs/dbraw/zinc/02/26/18/539022618.db2.gz NKTHZNWRSTUXMH-QMMMGPOBSA-N 0 1 223.320 2.465 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)c2cccc(C)c2)n[nH]1 ZINC000335633695 136241370 /nfs/dbraw/zinc/24/13/70/136241370.db2.gz YLDFQSBXKITDIQ-HUTHGQBESA-N 0 1 249.339 2.290 20 0 BEADMN Fc1cccc2c1OCC[C@H]2NC1CSC1 ZINC000390813728 539027598 /nfs/dbraw/zinc/02/75/98/539027598.db2.gz DXXMCLMXJFDHGE-LLVKDONJSA-N 0 1 239.315 2.354 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)c2cccc(C)c2)n[nH]1 ZINC000335633696 136241811 /nfs/dbraw/zinc/24/18/11/136241811.db2.gz YLDFQSBXKITDIQ-VVVCHXIZSA-N 0 1 249.339 2.290 20 0 BEADMN CC1(C)CC[C@@H](CNCc2nccs2)O1 ZINC000389701396 539017698 /nfs/dbraw/zinc/01/76/98/539017698.db2.gz JVPKWIJUBRPQMQ-VIFPVBQESA-N 0 1 226.345 2.190 20 0 BEADMN FC1(F)CCC[C@@H]1N[C@H]1CCCOCC1 ZINC000389912278 539018483 /nfs/dbraw/zinc/01/84/83/539018483.db2.gz JUECHYOVJBAZJI-UWVGGRQHSA-N 0 1 219.275 2.333 20 0 BEADMN FC1(F)CCC[C@@H]1CNCc1ccon1 ZINC000382021353 398300333 /nfs/dbraw/zinc/30/03/33/398300333.db2.gz ASVYAANFFLDGFB-MRVPVSSYSA-N 0 1 216.231 2.200 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649503995 398301091 /nfs/dbraw/zinc/30/10/91/398301091.db2.gz FZZHAHFRQLRFGZ-LLVKDONJSA-N 0 1 219.332 2.061 20 0 BEADMN CCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000012348444 342849520 /nfs/dbraw/zinc/84/95/20/342849520.db2.gz PHAHUHWRCDBWBC-LLVKDONJSA-N 0 1 240.372 2.267 20 0 BEADMN CCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000012348450 342849611 /nfs/dbraw/zinc/84/96/11/342849611.db2.gz PHAHUHWRCDBWBC-NSHDSACASA-N 0 1 240.372 2.267 20 0 BEADMN CC(F)(F)CCNCc1nccs1 ZINC000382058786 398302618 /nfs/dbraw/zinc/30/26/18/398302618.db2.gz BXOYEDWOKBNIDV-UHFFFAOYSA-N 0 1 206.261 2.278 20 0 BEADMN CCN(CC)CC[NH2+][C@H](C)c1cncs1 ZINC000132052382 398302848 /nfs/dbraw/zinc/30/28/48/398302848.db2.gz PXMZNRCVHIFYQX-SNVBAGLBSA-N 0 1 227.377 2.136 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCC(C)(F)F)CCO1 ZINC000382097695 398304984 /nfs/dbraw/zinc/30/49/84/398304984.db2.gz FJIDXGZSTXBULL-VHSXEESVSA-N 0 1 221.291 2.435 20 0 BEADMN Fc1cc(Cl)ccc1CN[C@@H]1CCOC1 ZINC000133043943 398309421 /nfs/dbraw/zinc/30/94/21/398309421.db2.gz OXCLAKUDOZYFPP-SNVBAGLBSA-N 0 1 229.682 2.358 20 0 BEADMN CC1(NCc2cc3ccccc3[nH]2)COC1 ZINC000639380973 398309608 /nfs/dbraw/zinc/30/96/08/398309608.db2.gz MEHYGOOJVZAHJG-UHFFFAOYSA-N 0 1 216.284 2.046 20 0 BEADMN COc1cncc(C[N@H+]2CCC[C@@H](C)CC2)n1 ZINC000625108097 342859336 /nfs/dbraw/zinc/85/93/36/342859336.db2.gz AJHUZSVUAUDDBJ-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN FC1(F)CC[C@@H](CSc2cn[nH]n2)C1 ZINC000336255243 398317339 /nfs/dbraw/zinc/31/73/39/398317339.db2.gz FCDZJAZROZWFTB-ZCFIWIBFSA-N 0 1 219.260 2.332 20 0 BEADMN C[C@H](NCc1csc(C2CC2)n1)C(C)(C)O ZINC000309786255 342897738 /nfs/dbraw/zinc/89/77/38/342897738.db2.gz OCQDGEJCQKDTQA-QMMMGPOBSA-N 0 1 240.372 2.270 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccn2)C1 ZINC000232785046 342879728 /nfs/dbraw/zinc/87/97/28/342879728.db2.gz VFPQERRUNCEPNZ-CQSZACIVSA-N 0 1 248.326 2.014 20 0 BEADMN C=C(C)CC[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232781194 342880432 /nfs/dbraw/zinc/88/04/32/342880432.db2.gz OXUNLKDRKGPESO-ZDUSSCGKSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232780751 342880453 /nfs/dbraw/zinc/88/04/53/342880453.db2.gz WRAJFGIVLWGZNH-CYBMUJFWSA-N 0 1 225.332 2.385 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H]2C2CCC2)n[nH]1 ZINC000102877777 398320891 /nfs/dbraw/zinc/32/08/91/398320891.db2.gz XPTVNLDHTKFREL-ZDUSSCGKSA-N 0 1 247.342 2.377 20 0 BEADMN CC(C)(C)c1n[nH]c(SCC2(O)CCC2)n1 ZINC000331802705 398312090 /nfs/dbraw/zinc/31/20/90/398312090.db2.gz SHTTUNLTOMXIRU-UHFFFAOYSA-N 0 1 241.360 2.109 20 0 BEADMN CC(C)(C)c1nc(SCC2(O)CCC2)n[nH]1 ZINC000331802705 398312092 /nfs/dbraw/zinc/31/20/92/398312092.db2.gz SHTTUNLTOMXIRU-UHFFFAOYSA-N 0 1 241.360 2.109 20 0 BEADMN CCn1[nH]c(CCc2ccccc2)cc1=O ZINC000634584657 342900919 /nfs/dbraw/zinc/90/09/19/342900919.db2.gz JNYHGSRPPSOXLT-UHFFFAOYSA-N 0 1 216.284 2.227 20 0 BEADMN CCn1[nH]c(Cc2cccc(C)c2)cc1=O ZINC000634584785 342901611 /nfs/dbraw/zinc/90/16/11/342901611.db2.gz MXHXZPXKHDOMAJ-UHFFFAOYSA-N 0 1 216.284 2.146 20 0 BEADMN CCCCN(CCOC)Cc1ccnc(C)n1 ZINC000351568613 136247001 /nfs/dbraw/zinc/24/70/01/136247001.db2.gz NZBPEOUNWHZJOY-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN Cc1cnn(C)c1CNc1nccn1CC(C)C ZINC000351568180 136247029 /nfs/dbraw/zinc/24/70/29/136247029.db2.gz MGHFZXVHRPNDCP-UHFFFAOYSA-N 0 1 247.346 2.193 20 0 BEADMN CC(C)OCCN1CCOc2ccccc2C1 ZINC000079943683 342922527 /nfs/dbraw/zinc/92/25/27/342922527.db2.gz BYEPMPDRSWNYKG-UHFFFAOYSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1csc([C@@H](C)N[C@@H](C)C2(CO)CC2)n1 ZINC000624012105 346874569 /nfs/dbraw/zinc/87/45/69/346874569.db2.gz RREIZZGKHJVNIU-ZJUUUORDSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1csc([C@H](C)N[C@H](C)C2(CO)CC2)n1 ZINC000624012104 346874925 /nfs/dbraw/zinc/87/49/25/346874925.db2.gz RREIZZGKHJVNIU-VHSXEESVSA-N 0 1 240.372 2.263 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000036914408 342913923 /nfs/dbraw/zinc/91/39/23/342913923.db2.gz AJPYPTMYTHHTLS-YUMQZZPRSA-N 0 1 214.334 2.137 20 0 BEADMN C[C@@H](Cc1cccs1)NCc1csnn1 ZINC000036993162 342915737 /nfs/dbraw/zinc/91/57/37/342915737.db2.gz UWNSOMCPSXOHAH-QMMMGPOBSA-N 0 1 239.369 2.320 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)ccc1F ZINC000234057186 342916962 /nfs/dbraw/zinc/91/69/62/342916962.db2.gz VZKYMKZJYGQBIF-LBPRGKRZSA-N 0 1 239.290 2.429 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000234282242 342919826 /nfs/dbraw/zinc/91/98/26/342919826.db2.gz UWIPQBOKNMECAF-UHFFFAOYSA-N 0 1 223.247 2.118 20 0 BEADMN C[C@@H]1CCc2c1[nH]n(C1CCCC1)c2=O ZINC000634587979 342933067 /nfs/dbraw/zinc/93/30/67/342933067.db2.gz FRENYAMBXYPYPK-PSASIEDQSA-N 0 1 206.289 2.173 20 0 BEADMN CCCC1=NN(c2ncccn2)C(=O)[C@H]1CC ZINC000634589895 342936934 /nfs/dbraw/zinc/93/69/34/342936934.db2.gz KXNMXZDGSWKWJR-VIFPVBQESA-N 0 1 232.287 2.006 20 0 BEADMN CC(C)CCN(C)C(=O)[C@H](N)c1ccccc1 ZINC000037817897 398334584 /nfs/dbraw/zinc/33/45/84/398334584.db2.gz DQPAYNUVIBVXMR-CYBMUJFWSA-N 0 1 234.343 2.191 20 0 BEADMN COc1ncc(CN2CC[C@@H](SC)C2)s1 ZINC000602682479 349674542 /nfs/dbraw/zinc/67/45/42/349674542.db2.gz YINOOQNHEGLKBE-MRVPVSSYSA-N 0 1 244.385 2.089 20 0 BEADMN CCC1=NN(CC2CCCC2)C(=O)[C@H]1C ZINC000634591505 342942060 /nfs/dbraw/zinc/94/20/60/342942060.db2.gz FRBHPHNOZYTNSW-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN CCc1[nH]n(CC2CCCC2)c(=O)c1C ZINC000634591505 342942062 /nfs/dbraw/zinc/94/20/62/342942062.db2.gz FRBHPHNOZYTNSW-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN CCc1c(=O)n(-c2ccncc2)[nH]c1C(C)C ZINC000634591431 342942182 /nfs/dbraw/zinc/94/21/82/342942182.db2.gz CMJGLUXTWZJMGS-NSHDSACASA-N 0 1 231.299 2.466 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccc(F)cc2F)CO1 ZINC000335425311 398341325 /nfs/dbraw/zinc/34/13/25/398341325.db2.gz JEAYCWDSYZXOGC-KCJUWKMLSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H]1CCC2=NN(c3ccncc3)C(=O)[C@@H]2C1 ZINC000634592054 342944337 /nfs/dbraw/zinc/94/43/37/342944337.db2.gz WJUWHRMANAGITA-GXSJLCMTSA-N 0 1 229.283 2.220 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3)c(=O)c2C1 ZINC000634592054 342944338 /nfs/dbraw/zinc/94/43/38/342944338.db2.gz WJUWHRMANAGITA-GXSJLCMTSA-N 0 1 229.283 2.220 20 0 BEADMN CCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367576513 398343314 /nfs/dbraw/zinc/34/33/14/398343314.db2.gz QOUGLUTXDLLSSU-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC000635650234 398344260 /nfs/dbraw/zinc/34/42/60/398344260.db2.gz WIYHWQHXBJARIN-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000647368853 398344594 /nfs/dbraw/zinc/34/45/94/398344594.db2.gz PHBCBQDQAVOUIL-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc([C@H](C)NC[C@H]2CCCC[C@@H]2O)no1 ZINC000353261721 136253283 /nfs/dbraw/zinc/25/32/83/136253283.db2.gz UUWBUUAJVSHSGV-LOWVWBTDSA-N 0 1 238.331 2.185 20 0 BEADMN CC(C)n1[nH]c(Cc2ccccc2)cc1=O ZINC000634595247 342956640 /nfs/dbraw/zinc/95/66/40/342956640.db2.gz VHKYVPWUWASEQB-UHFFFAOYSA-N 0 1 216.284 2.226 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1ncc[nH]1 ZINC000453414080 488191165 /nfs/dbraw/zinc/19/11/65/488191165.db2.gz SLNPSOZOHUZJBZ-JTQLQIEISA-N 0 1 225.336 2.266 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCCF ZINC000351813000 136254777 /nfs/dbraw/zinc/25/47/77/136254777.db2.gz FYSPGUOOLKKVTG-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCCCF ZINC000304392202 259335067 /nfs/dbraw/zinc/33/50/67/259335067.db2.gz MSWJMRMPDVHRNM-SRVKXCTJSA-N 0 1 243.322 2.311 20 0 BEADMN CC[C@@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000634729922 344019011 /nfs/dbraw/zinc/01/90/11/344019011.db2.gz CFGXPNHVZXWYMV-NEPJUHHUSA-N 0 1 229.270 2.197 20 0 BEADMN CC[C@H](O)CN[C@H](CF)c1ccc(F)cc1 ZINC000634729923 344019068 /nfs/dbraw/zinc/01/90/68/344019068.db2.gz CFGXPNHVZXWYMV-NWDGAFQWSA-N 0 1 229.270 2.197 20 0 BEADMN CCC[N@@H+](Cc1cc(C(=O)OC)no1)C(C)C ZINC000602704243 349697772 /nfs/dbraw/zinc/69/77/72/349697772.db2.gz DTOIDBBVPHUKEL-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN C[C@H](C1CC1)N1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634597496 342974105 /nfs/dbraw/zinc/97/41/05/342974105.db2.gz LXNJGLAJQYUDKM-RNCFNFMXSA-N 0 1 240.306 2.204 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC001638398906 1172020238 /nfs/dbraw/zinc/02/02/38/1172020238.db2.gz YPGXQMWUUKFBKE-WCQGTBRESA-N 0 1 249.358 2.154 20 0 BEADMN OC1(CN[C@H](CF)c2ccc(F)cc2)CCC1 ZINC000634730021 344019596 /nfs/dbraw/zinc/01/95/96/344019596.db2.gz HKMGWHJGZWMQSD-GFCCVEGCSA-N 0 1 241.281 2.341 20 0 BEADMN COCc1cc(CNC(C)(C)C2CC2)no1 ZINC000562686608 323027735 /nfs/dbraw/zinc/02/77/35/323027735.db2.gz ZGHJZFVVFAPAGY-UHFFFAOYSA-N 0 1 224.304 2.099 20 0 BEADMN CN(CC1CC1)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602768215 349723797 /nfs/dbraw/zinc/72/37/97/349723797.db2.gz XWLWDTISFHYVJR-LBPRGKRZSA-N 0 1 239.359 2.449 20 0 BEADMN CN(CC1CC1)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602768214 349724298 /nfs/dbraw/zinc/72/42/98/349724298.db2.gz XWLWDTISFHYVJR-GFCCVEGCSA-N 0 1 239.359 2.449 20 0 BEADMN CCC[C@](C)(N)c1nc(-c2ccncc2)no1 ZINC000036865016 342992844 /nfs/dbraw/zinc/99/28/44/342992844.db2.gz ALUWYTUQSQHSBJ-LBPRGKRZSA-N 0 1 232.287 2.106 20 0 BEADMN CCCCN(C)Cc1cccnc1OC ZINC000176452306 346911222 /nfs/dbraw/zinc/91/12/22/346911222.db2.gz KZKIMSFAEKKTFP-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN O=C1[C@H]2CCCCCCC2=NN1c1ccncn1 ZINC000634600512 342993420 /nfs/dbraw/zinc/99/34/20/342993420.db2.gz JWYOODWXCVGOIH-JTQLQIEISA-N 0 1 244.298 2.150 20 0 BEADMN COc1ccc(Cn2[nH]c(C(C)C)cc2=O)cc1 ZINC000634597929 342978051 /nfs/dbraw/zinc/97/80/51/342978051.db2.gz YXTYCDFBTPEMGB-UHFFFAOYSA-N 0 1 246.310 2.440 20 0 BEADMN CSC1CCN(Cc2cnc(C)o2)CC1 ZINC000602727573 349716478 /nfs/dbraw/zinc/71/64/78/349716478.db2.gz UBNNRMSZHYZPNB-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1[n-]n(C2CCC(C)CC2)c(=O)c1C ZINC000634599331 342987809 /nfs/dbraw/zinc/98/78/09/342987809.db2.gz GEHKJZOTAZGZSB-INWMGODYSA-N 0 1 208.305 2.419 20 0 BEADMN Cc1[nH]n(C2CCC(C)CC2)c(=O)c1C ZINC000634599331 342987810 /nfs/dbraw/zinc/98/78/10/342987810.db2.gz GEHKJZOTAZGZSB-INWMGODYSA-N 0 1 208.305 2.419 20 0 BEADMN O=C1[C@H]2CCCCC2=NN1c1ncccc1F ZINC000634605251 342999535 /nfs/dbraw/zinc/99/95/35/342999535.db2.gz FGYANBXBAMQQFS-QMMMGPOBSA-N 0 1 233.246 2.114 20 0 BEADMN CCC(CC)n1[nH]c(C[C@H]2CCCO2)cc1=O ZINC000634605414 342999586 /nfs/dbraw/zinc/99/95/86/342999586.db2.gz LJDVGAOAXQXMBS-GFCCVEGCSA-N 0 1 238.331 2.332 20 0 BEADMN CCC(F)(F)CN[C@@H](CCO)C(C)(C)C ZINC000602804023 349742531 /nfs/dbraw/zinc/74/25/31/349742531.db2.gz GFWLRJWQTSFPAI-VIFPVBQESA-N 0 1 223.307 2.418 20 0 BEADMN CCc1[nH]n(-c2ccncc2C)c(=O)c1C ZINC000634606286 343001777 /nfs/dbraw/zinc/00/17/77/343001777.db2.gz NAJYFVVZKDUBPS-VIFPVBQESA-N 0 1 217.272 2.139 20 0 BEADMN O=C1[C@@H]2CCCCCCC2=NN1c1cccnn1 ZINC000634606747 343003068 /nfs/dbraw/zinc/00/30/68/343003068.db2.gz AHCDIIJABDAFKA-SNVBAGLBSA-N 0 1 244.298 2.150 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccncc2Cl)[nH]1 ZINC000634608593 343004452 /nfs/dbraw/zinc/00/44/52/343004452.db2.gz HLBVMDOOXCSGER-UHFFFAOYSA-N 0 1 237.690 2.484 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c21 ZINC000634608795 343004588 /nfs/dbraw/zinc/00/45/88/343004588.db2.gz MOBUBLBYKVKXOV-WRWORJQWSA-N 0 1 249.701 2.484 20 0 BEADMN CCc1[nH]n(-c2ccncc2Cl)c(=O)c1C ZINC000634608655 343004712 /nfs/dbraw/zinc/00/47/12/343004712.db2.gz IXTUDFLZNJOOOA-SSDOTTSWSA-N 0 1 237.690 2.484 20 0 BEADMN Cc1[nH]n(-c2cc(C)ccc2F)c(=O)c1C ZINC000634610607 343006935 /nfs/dbraw/zinc/00/69/35/343006935.db2.gz AZOWOUWSQIZNJA-QMMMGPOBSA-N 0 1 220.247 2.493 20 0 BEADMN Cc1[nH]n(CCc2ccccc2F)c(=O)c1C ZINC000634611958 343008967 /nfs/dbraw/zinc/00/89/67/343008967.db2.gz JRQGSINXVVUNKH-VIFPVBQESA-N 0 1 234.274 2.222 20 0 BEADMN CCN(C#N)CCN(C)[C@@H](C)c1ccccc1 ZINC000602764402 349734581 /nfs/dbraw/zinc/73/45/81/349734581.db2.gz BJNSIDJOHFKFLY-ZDUSSCGKSA-N 0 1 231.343 2.482 20 0 BEADMN CCCC1=NN(c2ccc(C)nn2)C(=O)[C@@H]1CC ZINC000634600860 342994289 /nfs/dbraw/zinc/99/42/89/342994289.db2.gz VQVQYEYWCGBTFL-SNVBAGLBSA-N 0 1 246.314 2.314 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000211526143 342994775 /nfs/dbraw/zinc/99/47/75/342994775.db2.gz DCOKDKVZROALDY-DHHDDZJSSA-N 0 1 219.284 2.105 20 0 BEADMN COc1cc(F)cc(N2N=C3CCC[C@@H]3C2=O)c1 ZINC000634617899 343015737 /nfs/dbraw/zinc/01/57/37/343015737.db2.gz AGZQJCSMHFKGTC-NSHDSACASA-N 0 1 248.257 2.337 20 0 BEADMN COc1cc(F)cc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000634617899 343015738 /nfs/dbraw/zinc/01/57/38/343015738.db2.gz AGZQJCSMHFKGTC-NSHDSACASA-N 0 1 248.257 2.337 20 0 BEADMN C[C@@H]1CN(Cc2ccno2)C[C@H](C)C1(F)F ZINC000625644125 344024060 /nfs/dbraw/zinc/02/40/60/344024060.db2.gz AIOYQLOPWCQDLN-DTORHVGOSA-N 0 1 230.258 2.398 20 0 BEADMN CC(C)[C@H]1CCc2[nH]n(C3CC3)c(=O)c2C1 ZINC000634618654 343016738 /nfs/dbraw/zinc/01/67/38/343016738.db2.gz ZHSMALZAJWGXGG-ONGXEEELSA-N 0 1 220.316 2.419 20 0 BEADMN CCCC(CCC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000211942116 343017190 /nfs/dbraw/zinc/01/71/90/343017190.db2.gz DOPLJTIVNJUAGR-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CCNC(=O)CN1CCC[C@H]1c1ccsc1 ZINC000046088522 343018778 /nfs/dbraw/zinc/01/87/78/343018778.db2.gz BVMNZXDVRYMCTJ-NSHDSACASA-N 0 1 238.356 2.021 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc3n[nH]cc3c2)c1=O ZINC000634620339 343019231 /nfs/dbraw/zinc/01/92/31/343019231.db2.gz AFPSXEVVKXFRAC-LLVKDONJSA-N 0 1 242.282 2.312 20 0 BEADMN CC(C)(C)CCn1[nH]c([C@@H]2CCOC2)cc1=O ZINC000634620871 343019859 /nfs/dbraw/zinc/01/98/59/343019859.db2.gz RYTLNHHDLZVXIF-SNVBAGLBSA-N 0 1 238.331 2.047 20 0 BEADMN CCCc1cc(=O)n([C@H]2CCOC(C)(C)C2)[nH]1 ZINC000634621749 343020366 /nfs/dbraw/zinc/02/03/66/343020366.db2.gz OSRNACBQGITCBW-NSHDSACASA-N 0 1 238.331 2.332 20 0 BEADMN CCC1=NN([C@H]2CCOC(C)(C)C2)C(=O)[C@H]1C ZINC000634621959 343020895 /nfs/dbraw/zinc/02/08/95/343020895.db2.gz UKPVOXFEWMSZGL-UWVGGRQHSA-N 0 1 238.331 2.188 20 0 BEADMN CCc1[nH]n([C@H]2CCOC(C)(C)C2)c(=O)c1C ZINC000634621959 343020896 /nfs/dbraw/zinc/02/08/96/343020896.db2.gz UKPVOXFEWMSZGL-UWVGGRQHSA-N 0 1 238.331 2.188 20 0 BEADMN C[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000309819212 343021156 /nfs/dbraw/zinc/02/11/56/343021156.db2.gz VYJZWIWANLMKEF-WPRPVWTQSA-N 0 1 221.304 2.225 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@](C)(C(N)=O)C2)o1 ZINC000335905617 136260880 /nfs/dbraw/zinc/26/08/80/136260880.db2.gz GUKQSDIPWZXZFJ-CABZTGNLSA-N 0 1 237.303 2.291 20 0 BEADMN CCN(C#N)CCN1Cc2ccccc2C[C@H]1C ZINC000602786330 349750768 /nfs/dbraw/zinc/75/07/68/349750768.db2.gz VYSRDJJTFITPTH-CYBMUJFWSA-N 0 1 243.354 2.236 20 0 BEADMN CC1=NN([C@H](C)COc2ccccc2)C(=O)[C@H]1C ZINC000634629652 343032890 /nfs/dbraw/zinc/03/28/90/343032890.db2.gz YXMRPYOLRJQQHO-MNOVXSKESA-N 0 1 246.310 2.308 20 0 BEADMN Cc1[nH]n([C@H](C)COc2ccccc2)c(=O)c1C ZINC000634629652 343032892 /nfs/dbraw/zinc/03/28/92/343032892.db2.gz YXMRPYOLRJQQHO-MNOVXSKESA-N 0 1 246.310 2.308 20 0 BEADMN O=C1CC(c2ccccc2)=NN1[C@@H]1CCSC1 ZINC000634627529 343033701 /nfs/dbraw/zinc/03/37/01/343033701.db2.gz FIPIIAZDUQNVAL-LLVKDONJSA-N 0 1 246.335 2.129 20 0 BEADMN C[C@H]1CCCN(Cc2nnc3n2CCCC3)CC1 ZINC000335909890 136262088 /nfs/dbraw/zinc/26/20/88/136262088.db2.gz UBVFVSOUNZXCSQ-LBPRGKRZSA-N 0 1 248.374 2.236 20 0 BEADMN C[C@@H]1CCc2[nH]n([C@@H]3CCSC3)c(=O)c2C1 ZINC000634627796 343034096 /nfs/dbraw/zinc/03/40/96/343034096.db2.gz KVONGCQLOVVXSD-BBBLOLIVSA-N 0 1 238.356 2.126 20 0 BEADMN CC[C@H](C)c1cc(=O)n(C[C@H]2CCSC2)[nH]1 ZINC000634628854 343036041 /nfs/dbraw/zinc/03/60/41/343036041.db2.gz HJDQDRHHOZDSBJ-VHSXEESVSA-N 0 1 240.372 2.374 20 0 BEADMN C[C@@H](n1[nH]c([C@@H]2CCOC2)cc1=O)C(C)(C)C ZINC000634629728 343038009 /nfs/dbraw/zinc/03/80/09/343038009.db2.gz AUZWSNMSZCBGEZ-NXEZZACHSA-N 0 1 238.331 2.046 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)CO)c(Cl)c1 ZINC000235463639 343038962 /nfs/dbraw/zinc/03/89/62/343038962.db2.gz RJJYOXDCYOHDJA-SNVBAGLBSA-N 0 1 227.735 2.461 20 0 BEADMN O=C([O-])c1coc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000405073015 323032569 /nfs/dbraw/zinc/03/25/69/323032569.db2.gz YGCFCEXCZNOKAL-UHFFFAOYSA-N 0 1 245.225 2.209 20 0 BEADMN C[C@H]1CCC2=NN(c3ccncc3F)C(=O)[C@H]2C1 ZINC000634634079 343046912 /nfs/dbraw/zinc/04/69/12/343046912.db2.gz NSSGHUBERNZMGD-IUCAKERBSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccncc3F)c(=O)c2C1 ZINC000634634079 343046913 /nfs/dbraw/zinc/04/69/13/343046913.db2.gz NSSGHUBERNZMGD-IUCAKERBSA-N 0 1 247.273 2.360 20 0 BEADMN CCCCc1cc(=O)n([C@H]2CCOC2(C)C)[nH]1 ZINC000634632109 343043429 /nfs/dbraw/zinc/04/34/29/343043429.db2.gz JQMMPBNOGOOWST-NSHDSACASA-N 0 1 238.331 2.332 20 0 BEADMN Cc1ccc(CNC[C@H](O)C(F)F)c(Cl)c1 ZINC000235779596 343059696 /nfs/dbraw/zinc/05/96/96/343059696.db2.gz HQIOJJHIXRNMSH-JTQLQIEISA-N 0 1 249.688 2.364 20 0 BEADMN C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000236433282 343097500 /nfs/dbraw/zinc/09/75/00/343097500.db2.gz OPUUWHRFMVUVHJ-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN CCC[C@@H](OCC)c1nc(C2(N)CCC2)no1 ZINC000634556464 362046184 /nfs/dbraw/zinc/04/61/84/362046184.db2.gz TVWCDTBZRYTUGY-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN Cc1cc(CNCCOC2CCCCC2)on1 ZINC000383659762 362048019 /nfs/dbraw/zinc/04/80/19/362048019.db2.gz LGQISVPKPXPPNL-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CNC(C)(C)c1cn(Cc2cccc(C)c2)nn1 ZINC000640846397 362066152 /nfs/dbraw/zinc/06/61/52/362066152.db2.gz SKAPRVRFYZCHJO-UHFFFAOYSA-N 0 1 244.342 2.089 20 0 BEADMN CN(C)[C@H](CNc1ccccn1)c1ccco1 ZINC000067949199 362102460 /nfs/dbraw/zinc/10/24/60/362102460.db2.gz HUJHOUOIAAOBCC-LLVKDONJSA-N 0 1 231.299 2.389 20 0 BEADMN CC[N@@H+](Cc1ccccc1)CC1(C(=O)[O-])CC1 ZINC000049825537 343121447 /nfs/dbraw/zinc/12/14/47/343121447.db2.gz OLPDVURSUUAOBB-UHFFFAOYSA-N 0 1 233.311 2.373 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000049827671 343121605 /nfs/dbraw/zinc/12/16/05/343121605.db2.gz FXVHBXUANCSWJI-GFCCVEGCSA-N 0 1 235.327 2.414 20 0 BEADMN CCC[C@@H](C)n1cc(C(C)(C)NC)nn1 ZINC000640942953 362086209 /nfs/dbraw/zinc/08/62/09/362086209.db2.gz YRRDIDAKHFDMHX-SECBINFHSA-N 0 1 210.325 2.094 20 0 BEADMN CCC[C@H](C)n1cc(C(C)(C)NC)nn1 ZINC000640942957 362086266 /nfs/dbraw/zinc/08/62/66/362086266.db2.gz YRRDIDAKHFDMHX-VIFPVBQESA-N 0 1 210.325 2.094 20 0 BEADMN CCN(Cc1cc(C(=O)OC)oc1C)C1CC1 ZINC000143283608 343122817 /nfs/dbraw/zinc/12/28/17/343122817.db2.gz SXLMSCWJVMZFQH-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NCc2ccon2)CCO1 ZINC000634680187 343147222 /nfs/dbraw/zinc/14/72/22/343147222.db2.gz NGAIBLGGFAEETM-ZYHUDNBSSA-N 0 1 238.331 2.358 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)N1CC(C)C1 ZINC000576884784 365715362 /nfs/dbraw/zinc/71/53/62/365715362.db2.gz FYLIGPVWGYKXHL-RWMBFGLXSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nncn1C ZINC000120779827 343133882 /nfs/dbraw/zinc/13/38/82/343133882.db2.gz JIGBYNNYYKXJJC-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762215 343156993 /nfs/dbraw/zinc/15/69/93/343156993.db2.gz HIARCOQQJNQMAX-SNVBAGLBSA-N 0 1 236.315 2.256 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762054 343157013 /nfs/dbraw/zinc/15/70/13/343157013.db2.gz ADYOPTGYCZFDGU-JTQLQIEISA-N 0 1 234.299 2.154 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762216 343157272 /nfs/dbraw/zinc/15/72/72/343157272.db2.gz HIARCOQQJNQMAX-JTQLQIEISA-N 0 1 236.315 2.256 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CCS1 ZINC000123554200 343162974 /nfs/dbraw/zinc/16/29/74/343162974.db2.gz MJGAJIXOXPRFED-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CSCC[N@@H+](C)Cc1ccsc1C(=O)[O-] ZINC000167577331 343209261 /nfs/dbraw/zinc/20/92/61/343209261.db2.gz KFRCUVOQLOTING-UHFFFAOYSA-N 0 1 245.369 2.241 20 0 BEADMN CC1(C)C[C@@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000634682638 343186487 /nfs/dbraw/zinc/18/64/87/343186487.db2.gz XQUUXZYUJRIKIK-JTQLQIEISA-N 0 1 246.314 2.327 20 0 BEADMN CC1(C)C[C@@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000634682638 343186488 /nfs/dbraw/zinc/18/64/88/343186488.db2.gz XQUUXZYUJRIKIK-JTQLQIEISA-N 0 1 246.314 2.327 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000133107723 343189620 /nfs/dbraw/zinc/18/96/20/343189620.db2.gz UJNPONJUHAFQHW-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN C[C@@H]1CN(Cc2nc3ccccc3o2)CC[C@@H]1O ZINC000167260979 136274087 /nfs/dbraw/zinc/27/40/87/136274087.db2.gz OXMPCCORMOYKOU-PWSUYJOCSA-N 0 1 246.310 2.031 20 0 BEADMN CCc1cc(C(=O)N(C)Cc2ccccc2)n[nH]1 ZINC000032144248 343230200 /nfs/dbraw/zinc/23/02/00/343230200.db2.gz NHRZFPJDNVYISQ-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN COc1cncc(CN2C[C@H](C)CC(C)(C)C2)n1 ZINC000625315583 343231620 /nfs/dbraw/zinc/23/16/20/343231620.db2.gz VIZGWTLUCQVVLE-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC2(C)C)n1 ZINC000569738526 323039296 /nfs/dbraw/zinc/03/92/96/323039296.db2.gz DIGWHTRHUPWKGF-JTQLQIEISA-N 0 1 205.305 2.063 20 0 BEADMN Cc1nc(CNC[C@@H](O)c2ccccc2)cs1 ZINC000035112807 343284951 /nfs/dbraw/zinc/28/49/51/343284951.db2.gz PYMNLECYPJWGQE-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN CCC[C@@H](C)CN(CC)CC(=O)OCC ZINC000051323724 343255804 /nfs/dbraw/zinc/25/58/04/343255804.db2.gz DJVFCYNJOJFQDI-LLVKDONJSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H]2CCC2(C)C)o1 ZINC000380179404 343256714 /nfs/dbraw/zinc/25/67/14/343256714.db2.gz FVXCBCFWYXPOHW-APPZFPTMSA-N 0 1 209.293 2.217 20 0 BEADMN CCC[C@H](C)CCCN1C[C@H](C)O[C@H](CO)C1 ZINC000625362938 343259745 /nfs/dbraw/zinc/25/97/45/343259745.db2.gz HFPWTWHBUQGFGU-IHRRRGAJSA-N 0 1 243.391 2.284 20 0 BEADMN CCC(C)(C)CCn1cc([C@@H](C)NC)nn1 ZINC000641049010 362160474 /nfs/dbraw/zinc/16/04/74/362160474.db2.gz FJKBOOXBQWAKGN-SNVBAGLBSA-N 0 1 224.352 2.385 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@H](C(C)C)CC1 ZINC000070613720 343333986 /nfs/dbraw/zinc/33/39/86/343333986.db2.gz YRQFYKNPJATLPQ-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)CCN[C@@H](C)c1c(F)cccc1F ZINC000036891779 343326847 /nfs/dbraw/zinc/32/68/47/343326847.db2.gz GSLMANCFGQPJTH-QMMMGPOBSA-N 0 1 243.253 2.179 20 0 BEADMN CN(CCCNCc1cc[nH]n1)c1ccccc1 ZINC000036900000 343326849 /nfs/dbraw/zinc/32/68/49/343326849.db2.gz YJFBUZCYAIIISD-UHFFFAOYSA-N 0 1 244.342 2.026 20 0 BEADMN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)OC ZINC000070074902 343297512 /nfs/dbraw/zinc/29/75/12/343297512.db2.gz PCBAFIROKNZVJM-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H](C)Nc1cc(C(C)C)nc(N(C)C)n1 ZINC000486440897 529702729 /nfs/dbraw/zinc/70/27/29/529702729.db2.gz XGCUCRPCQDZGJG-JTQLQIEISA-N 0 1 236.363 2.298 20 0 BEADMN Cc1csc(CNC[C@@H](O)c2ccccc2)n1 ZINC000038091491 343371012 /nfs/dbraw/zinc/37/10/12/343371012.db2.gz DKAZEXJTWKMQHA-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN CC[C@@H](C)N[C@H](CO)c1c(F)cccc1F ZINC000038116382 343371739 /nfs/dbraw/zinc/37/17/39/343371739.db2.gz YFVAJWQVVLZUEP-LDYMZIIASA-N 0 1 229.270 2.386 20 0 BEADMN CC[C@@H](C)N[C@@H](CO)c1c(F)cccc1F ZINC000038116380 343371822 /nfs/dbraw/zinc/37/18/22/343371822.db2.gz YFVAJWQVVLZUEP-KCJUWKMLSA-N 0 1 229.270 2.386 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070634194 343336904 /nfs/dbraw/zinc/33/69/04/343336904.db2.gz IXDCJTAXNSIYJK-APPZFPTMSA-N 0 1 214.334 2.137 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000348839861 136302110 /nfs/dbraw/zinc/30/21/10/136302110.db2.gz YUXNQKDGMSTAPM-LLVKDONJSA-N 0 1 239.363 2.105 20 0 BEADMN CC[C@@H]1CCN(Cc2ncc(C)cn2)C1 ZINC000335674702 136317872 /nfs/dbraw/zinc/31/78/72/136317872.db2.gz HORRSICKXZAORZ-LLVKDONJSA-N 0 1 205.305 2.017 20 0 BEADMN Cc1ccc2ncc(CN3CC(C)C3)n2c1 ZINC000335675369 136318287 /nfs/dbraw/zinc/31/82/87/136318287.db2.gz JUYXTPIACGXVRO-UHFFFAOYSA-N 0 1 215.300 2.094 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(C(=O)c2cnc[nH]2)C1 ZINC000335675592 136318319 /nfs/dbraw/zinc/31/83/19/136318319.db2.gz WIAAXURFJYNROE-ZJUUUORDSA-N 0 1 221.304 2.060 20 0 BEADMN CSCC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602874960 349806176 /nfs/dbraw/zinc/80/61/76/349806176.db2.gz WNZFTFDHGGPJEF-LLVKDONJSA-N 0 1 230.421 2.012 20 0 BEADMN CCNC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000348953132 136310380 /nfs/dbraw/zinc/31/03/80/136310380.db2.gz XRECPDYAQJTPQX-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nnc(C)s1 ZINC000335669967 136313076 /nfs/dbraw/zinc/31/30/76/136313076.db2.gz YUDQAXGTVWNHGZ-WPRPVWTQSA-N 0 1 225.361 2.467 20 0 BEADMN Cc1ncc(C(=O)N(C)C[C@@H]2CC=CCC2)[nH]1 ZINC000335660666 136314725 /nfs/dbraw/zinc/31/47/25/136314725.db2.gz ZKVCTWJYODVVPK-LLVKDONJSA-N 0 1 233.315 2.146 20 0 BEADMN CCN(CCOC)Cc1cn(C(C)C)nc1C ZINC000348998264 136314819 /nfs/dbraw/zinc/31/48/19/136314819.db2.gz CYZNSEAKCSEQAM-UHFFFAOYSA-N 0 1 239.363 2.241 20 0 BEADMN CCNCc1cn([C@@H](C)c2cccc(C)c2)nn1 ZINC000641075749 362185058 /nfs/dbraw/zinc/18/50/58/362185058.db2.gz XGXWAQXCJKHCDP-LBPRGKRZSA-N 0 1 244.342 2.305 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cccc2c[nH]nc21 ZINC000335693087 136325622 /nfs/dbraw/zinc/32/56/22/136325622.db2.gz HXLHPFSUJIQVBY-DTORHVGOSA-N 0 1 229.283 2.186 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2ccccc2C)nn1 ZINC000641078563 362188943 /nfs/dbraw/zinc/18/89/43/362188943.db2.gz DSAXYWUNZNEFRI-NEPJUHHUSA-N 0 1 244.342 2.476 20 0 BEADMN C[C@H]1c2ccccc2CN1CCn1ccnc1 ZINC000335679771 136320012 /nfs/dbraw/zinc/32/00/12/136320012.db2.gz VBPJHCSKYOUTJG-LBPRGKRZSA-N 0 1 227.311 2.460 20 0 BEADMN CCc1nc(CN[C@@H](C)CCOC)cs1 ZINC000082367496 343439179 /nfs/dbraw/zinc/43/91/79/343439179.db2.gz UQVYAFJGTHSIRX-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN CCN(CC(=O)N(C(C)C)C1CCC1)C1CC1 ZINC000349382365 136344091 /nfs/dbraw/zinc/34/40/91/136344091.db2.gz BEOMAJKUXJXUIY-UHFFFAOYSA-N 0 1 238.375 2.260 20 0 BEADMN CCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000041875324 343424990 /nfs/dbraw/zinc/42/49/90/343424990.db2.gz PCYARLVGWKIWHP-LBPRGKRZSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1noc([C@@H]2CCCN2CC(C)C)n1 ZINC000335729212 136348156 /nfs/dbraw/zinc/34/81/56/136348156.db2.gz BCCWTGMVDGIGDR-JTQLQIEISA-N 0 1 209.293 2.171 20 0 BEADMN CN[C@H](C)c1cn(C[C@H]2CCCC[C@@H]2C)nn1 ZINC000641087304 362209445 /nfs/dbraw/zinc/20/94/45/362209445.db2.gz CPLXJIZLMGZYHM-QJPTWQEYSA-N 0 1 236.363 2.385 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(Cc3nccn3C)C2)C1 ZINC000335736782 136350479 /nfs/dbraw/zinc/35/04/79/136350479.db2.gz AKFZFZBVEDMDGO-OCCSQVGLSA-N 0 1 233.359 2.432 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc2c(c1)CCC2 ZINC000335736358 136350757 /nfs/dbraw/zinc/35/07/57/136350757.db2.gz BMUFWPCAEWCERA-CABCVRRESA-N 0 1 249.329 2.080 20 0 BEADMN Cc1noc(C)c1CCN[C@@H](C)c1ccon1 ZINC000349244045 136332839 /nfs/dbraw/zinc/33/28/39/136332839.db2.gz NOYMJUYFSFOCKL-VIFPVBQESA-N 0 1 235.287 2.173 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCC(C)(C)C2)c1C ZINC000335705764 136335609 /nfs/dbraw/zinc/33/56/09/136335609.db2.gz KZFBPQMTPPLLAK-JTQLQIEISA-N 0 1 235.331 2.335 20 0 BEADMN CCc1cccc(F)c1CN(C)[C@H](C)CO ZINC000349286041 136336301 /nfs/dbraw/zinc/33/63/01/136336301.db2.gz TUINESVZJIDKPY-SNVBAGLBSA-N 0 1 225.307 2.201 20 0 BEADMN C=Cn1cc(CN(C)Cc2ccc(O)cc2)cn1 ZINC000349342567 136342179 /nfs/dbraw/zinc/34/21/79/136342179.db2.gz DTMWXIPVIULEJS-UHFFFAOYSA-N 0 1 243.310 2.321 20 0 BEADMN CC(C)[C@H]1CCN(Cc2nnc3n2CCCC3)C1 ZINC000335842500 136354664 /nfs/dbraw/zinc/35/46/64/136354664.db2.gz NQRAUPIIHMAEAW-LBPRGKRZSA-N 0 1 248.374 2.092 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCCOC2)nc1 ZINC000335850138 136355353 /nfs/dbraw/zinc/35/53/53/136355353.db2.gz LWFQAGLYTFWMRU-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cc(Cl)cc(CN2CCN(C)CC2)c1 ZINC000350096303 136355499 /nfs/dbraw/zinc/35/54/99/136355499.db2.gz BIIHEHNBDMWCTH-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000350208051 136356690 /nfs/dbraw/zinc/35/66/90/136356690.db2.gz JFVAJORQZINOPI-NEPJUHHUSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C1CCC1)N(C)CC(=O)OC(C)(C)C ZINC000312982309 136363642 /nfs/dbraw/zinc/36/36/42/136363642.db2.gz SIOLJDPRIRCOSF-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cc(CN([C@@H](C)CO)C2CCCC2)no1 ZINC000351501036 136368754 /nfs/dbraw/zinc/36/87/54/136368754.db2.gz HZGTWUHKWWTAMG-JTQLQIEISA-N 0 1 238.331 2.108 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351805516 136370306 /nfs/dbraw/zinc/37/03/06/136370306.db2.gz CHMMMUYOZNRXQO-ZDMBXUJBSA-N 0 1 241.281 2.338 20 0 BEADMN Cc1nocc1CN1CC[C@@H](OCC(C)C)C1 ZINC000351785145 136370590 /nfs/dbraw/zinc/37/05/90/136370590.db2.gz UXKMQWJXXGHDJD-CYBMUJFWSA-N 0 1 238.331 2.230 20 0 BEADMN CNCc1cn(CCC2CCCCCC2)nn1 ZINC000641142969 362236753 /nfs/dbraw/zinc/23/67/53/362236753.db2.gz FWKYJWINVAGCGN-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN Cc1csc(CN[C@H]2COC(C)(C)C2)n1 ZINC000335656168 136376133 /nfs/dbraw/zinc/37/61/33/136376133.db2.gz JABVCMKWVNTJJZ-SECBINFHSA-N 0 1 226.345 2.109 20 0 BEADMN COC(C)(C)C[N@@H+](C)CCc1cncs1 ZINC000570056313 323048683 /nfs/dbraw/zinc/04/86/83/323048683.db2.gz ZFQQDUSZVRYPNV-UHFFFAOYSA-N 0 1 228.361 2.042 20 0 BEADMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000084095155 343520129 /nfs/dbraw/zinc/52/01/29/343520129.db2.gz KZKLRISGWQJGIX-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@]1(C)C(=O)[O-] ZINC000634693739 343538920 /nfs/dbraw/zinc/53/89/20/343538920.db2.gz WCMANRQRFHDGAD-YGEZULPYSA-N 0 1 237.343 2.075 20 0 BEADMN CCC[C@H](C)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854705 343502275 /nfs/dbraw/zinc/50/22/75/343502275.db2.gz NSGJNTMEHSIGBA-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)c1cnn(C)c1 ZINC000044494929 343503457 /nfs/dbraw/zinc/50/34/57/343503457.db2.gz UKCPTYQKRIVUPH-WDEREUQCSA-N 0 1 230.315 2.227 20 0 BEADMN CN(Cc1nc2ccccc2[nH]1)C[C@H]1CCOC1 ZINC000013568183 343576311 /nfs/dbraw/zinc/57/63/11/343576311.db2.gz JLMBXBXYJZLARK-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CC=CCC1 ZINC000047861629 343566749 /nfs/dbraw/zinc/56/67/49/343566749.db2.gz VKMGOXGDGJQXHJ-GFCCVEGCSA-N 0 1 247.342 2.123 20 0 BEADMN CCc1nnc(NC(=O)CCC(C)(C)C)[nH]1 ZINC000479157853 529742795 /nfs/dbraw/zinc/74/27/95/529742795.db2.gz FHIITNKOFMRTMM-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CCC(C)(C)C)n1 ZINC000479157853 529742796 /nfs/dbraw/zinc/74/27/96/529742796.db2.gz FHIITNKOFMRTMM-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCCC(CCC)C(=O)N(C)CC1CN(C)C1 ZINC000618192455 343584758 /nfs/dbraw/zinc/58/47/58/343584758.db2.gz NLKTYNHGUUDREI-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000049070026 343592725 /nfs/dbraw/zinc/59/27/25/343592725.db2.gz CUDQAMPCFGOEPZ-CYBMUJFWSA-N 0 1 247.342 2.211 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000570220589 323053046 /nfs/dbraw/zinc/05/30/46/323053046.db2.gz WCOTVYCEWJXORG-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCc1nc(NC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000493451658 529742227 /nfs/dbraw/zinc/74/22/27/529742227.db2.gz NCLHTVNXXXMDDJ-BQYQJAHWSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=CC2CCCC2)n1 ZINC000493451658 529742228 /nfs/dbraw/zinc/74/22/28/529742228.db2.gz NCLHTVNXXXMDDJ-BQYQJAHWSA-N 0 1 234.303 2.052 20 0 BEADMN O=C(c1ccn[nH]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049457833 343599053 /nfs/dbraw/zinc/59/90/53/343599053.db2.gz SVGJXEXLJWXPRK-ZYANWLCNSA-N 0 1 245.326 2.060 20 0 BEADMN CSCCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000083415775 343599083 /nfs/dbraw/zinc/59/90/83/343599083.db2.gz XXXKCYAGOZXWLK-LLVKDONJSA-N 0 1 245.388 2.316 20 0 BEADMN CCc1nc(CNCCc2cccnc2)cs1 ZINC000049591256 343603998 /nfs/dbraw/zinc/60/39/98/343603998.db2.gz IOHVJPGCFWMIOI-UHFFFAOYSA-N 0 1 247.367 2.433 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(CCF)CC1 ZINC000602950310 349821408 /nfs/dbraw/zinc/82/14/08/349821408.db2.gz NHOXQZTWOQZQGY-LBPRGKRZSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(CC)(CC)C1 ZINC000087256656 343642415 /nfs/dbraw/zinc/64/24/15/343642415.db2.gz SYWNWAUPSBVWBM-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cscc1CNCc1cncn1C ZINC000087309139 343643344 /nfs/dbraw/zinc/64/33/44/343643344.db2.gz VXBPVJSTEKUIEL-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(C)(F)F)CC(=O)[O-] ZINC000570287168 323054757 /nfs/dbraw/zinc/05/47/57/323054757.db2.gz VNBNRNKHNSGOCF-QMMMGPOBSA-N 0 1 223.263 2.217 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1cc(C)ccc1C ZINC000051791677 343628713 /nfs/dbraw/zinc/62/87/13/343628713.db2.gz WNPLMVVRMHWTAP-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN CCOC(=O)CN(CC)CCCCCF ZINC000379804852 343629799 /nfs/dbraw/zinc/62/97/99/343629799.db2.gz UGMNZETUJHZUGJ-UHFFFAOYSA-N 0 1 219.300 2.011 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CC1=CCCC1 ZINC000634696714 343633230 /nfs/dbraw/zinc/63/32/30/343633230.db2.gz JNNSNZROYLHOIY-UHFFFAOYSA-N 0 1 221.300 2.178 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC(=O)NC2CC2)cc1 ZINC000047959519 343674587 /nfs/dbraw/zinc/67/45/87/343674587.db2.gz DOLVBJPICDECQX-GFCCVEGCSA-N 0 1 246.354 2.266 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccc(CC)o1 ZINC000379949507 343659584 /nfs/dbraw/zinc/65/95/84/343659584.db2.gz SJHUOAVGAJNWSF-NWDGAFQWSA-N 0 1 209.289 2.109 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000379986549 343663672 /nfs/dbraw/zinc/66/36/72/343663672.db2.gz VGXGMEBAAFPOIR-NSHDSACASA-N 0 1 231.361 2.067 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cc(C)on1)C(C)(C)O ZINC000340500400 343717679 /nfs/dbraw/zinc/71/76/79/343717679.db2.gz GNKKRLGFPNFDGC-GXSJLCMTSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1ccccc1OCCN[C@@H](C)c1ncc[nH]1 ZINC000285939291 537808098 /nfs/dbraw/zinc/80/80/98/537808098.db2.gz FPCLAKLVUSYLIO-LBPRGKRZSA-N 0 1 245.326 2.448 20 0 BEADMN Cc1nccnc1CN1CCC(C(F)F)CC1 ZINC000621716966 343767727 /nfs/dbraw/zinc/76/77/27/343767727.db2.gz SOIGVZDEJULOKD-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN C[C@]12C[N@@H+](CC3(C(=O)[O-])CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000584183916 343770624 /nfs/dbraw/zinc/77/06/24/343770624.db2.gz BVRJHGYXAOMPHM-OWTLIXCDSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H](N(C)Cc1cnns1)C(C)(C)C ZINC000584153594 343765994 /nfs/dbraw/zinc/76/59/94/343765994.db2.gz XDNQUHLTLIWIRL-MRVPVSSYSA-N 0 1 213.350 2.405 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC12CCC(CC1)C2 ZINC000570403400 323058616 /nfs/dbraw/zinc/05/86/16/323058616.db2.gz NCVSOPFEXGTSDZ-QWKFWESOSA-N 0 1 223.316 2.116 20 0 BEADMN OC[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000051886908 343789515 /nfs/dbraw/zinc/78/95/15/343789515.db2.gz LBVHMOIVMRJLSH-QMMMGPOBSA-N 0 1 231.748 2.216 20 0 BEADMN CCn1cc(C[N@@H+](CC)CC(C)C)cn1 ZINC000179301783 346980121 /nfs/dbraw/zinc/98/01/21/346980121.db2.gz RIUFRUOXDHCOOG-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN C[C@@H](N(C)Cc1cn(C)cn1)C1(C)CC1 ZINC000683899161 488241171 /nfs/dbraw/zinc/24/11/71/488241171.db2.gz VFFTZKUTENDBQW-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@H](F)C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000570529727 323062459 /nfs/dbraw/zinc/06/24/59/323062459.db2.gz ZMECUTPGZJMOMK-JTQLQIEISA-N 0 1 231.311 2.454 20 0 BEADMN FC(F)[C@H]1CCN(Cc2ccccn2)C1 ZINC000678315832 488240452 /nfs/dbraw/zinc/24/04/52/488240452.db2.gz ZIWBVCLPIKBCAH-VIFPVBQESA-N 0 1 212.243 2.169 20 0 BEADMN CCC[C@H](C)CCCN1CCO[C@@H]([C@@H](C)O)C1 ZINC000625471343 343874649 /nfs/dbraw/zinc/87/46/49/343874649.db2.gz JOTQPNGSHGBTDO-BFHYXJOUSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1cncc(NC(=O)c2c(O)cccc2F)c1 ZINC000128595577 343889135 /nfs/dbraw/zinc/88/91/35/343889135.db2.gz WVFWXDDEXGTBOZ-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000494919381 529930870 /nfs/dbraw/zinc/93/08/70/529930870.db2.gz BZSHIUKBCRZMPQ-UHFFFAOYSA-N 0 1 241.703 2.151 20 0 BEADMN CCOC1CC(N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345355853 343908664 /nfs/dbraw/zinc/90/86/64/343908664.db2.gz NTDHNMFACOQGOH-HBIQZDMRSA-N 0 1 235.331 2.046 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccc(N)n2)CC1 ZINC000135085993 343931924 /nfs/dbraw/zinc/93/19/24/343931924.db2.gz BFVWFDJIDZSETQ-LLVKDONJSA-N 0 1 234.347 2.071 20 0 BEADMN C[C@H]1OCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000090460436 343931978 /nfs/dbraw/zinc/93/19/78/343931978.db2.gz SYMWOMVNCIOAMH-SCZZXKLOSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1ccc(CNCc2ccnn2C)cc1C ZINC000070141158 178616523 /nfs/dbraw/zinc/61/65/23/178616523.db2.gz AETVCYBJGIBOLP-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000091859482 343951906 /nfs/dbraw/zinc/95/19/06/343951906.db2.gz FONINSHPSROITL-ONGXEEELSA-N 0 1 220.316 2.326 20 0 BEADMN Oc1ccc2c(c1)CN(CC[C@@H]1CCOC1)C2 ZINC000625727786 344059331 /nfs/dbraw/zinc/05/93/31/344059331.db2.gz LWAQXTQAKOYHKL-LLVKDONJSA-N 0 1 233.311 2.134 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CCCC(F)(F)CC1 ZINC000625764231 344067932 /nfs/dbraw/zinc/06/79/32/344067932.db2.gz CDOPFKAXCRURDD-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN CN1CCCC[C@@H]([N@@H+](C)Cc2ccccc2)C1=O ZINC000634736133 344127463 /nfs/dbraw/zinc/12/74/63/344127463.db2.gz AXVHONAUCRPHCF-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN CN(Cc1ccccc1)[C@@H]1CCCCN(C)C1=O ZINC000634736133 344127465 /nfs/dbraw/zinc/12/74/65/344127465.db2.gz AXVHONAUCRPHCF-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN OC1(CNCc2nccs2)CCCCCC1 ZINC000088370169 344239704 /nfs/dbraw/zinc/23/97/04/344239704.db2.gz AAQFEKMSJBQSRS-UHFFFAOYSA-N 0 1 240.372 2.318 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccncc2Cl)[C@@H](C)O1 ZINC000384869171 344191741 /nfs/dbraw/zinc/19/17/41/344191741.db2.gz IFEFNDROZMNEBB-KBVBSXBZSA-N 0 1 240.734 2.391 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccn[nH]1 ZINC000247427894 344205832 /nfs/dbraw/zinc/20/58/32/344205832.db2.gz LPRUITVPOSRMJV-NTZNESFSSA-N 0 1 247.342 2.132 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC000088795807 344242058 /nfs/dbraw/zinc/24/20/58/344242058.db2.gz JGEOUNDAIZKPOD-CYBMUJFWSA-N 0 1 233.311 2.290 20 0 BEADMN CC1(C)CC(NC(=O)c2ccc(F)cc2O)C1 ZINC000395458512 344329947 /nfs/dbraw/zinc/32/99/47/344329947.db2.gz FOIFGLFTSWLSTD-UHFFFAOYSA-N 0 1 237.274 2.450 20 0 BEADMN CCN(Cc1cnn(C)c1)[C@@H](C)c1ccncc1 ZINC000600635864 344347781 /nfs/dbraw/zinc/34/77/81/344347781.db2.gz RTCYAWOXRBZMEW-LBPRGKRZSA-N 0 1 244.342 2.398 20 0 BEADMN C[C@H]1CCC[C@@H](CNCc2csnn2)C1 ZINC000132603816 344305258 /nfs/dbraw/zinc/30/52/58/344305258.db2.gz QJFTUEBMHOQWMP-VHSXEESVSA-N 0 1 225.361 2.454 20 0 BEADMN CCOC[C@@H](N[C@H](C)c1ncc[nH]1)C(C)C ZINC000336768236 537845176 /nfs/dbraw/zinc/84/51/76/537845176.db2.gz QQJZBTUELWSUAF-GHMZBOCLSA-N 0 1 225.336 2.121 20 0 BEADMN C/C(=C\C[N@@H+]1C[C@H](C)CC1(C)C)C(=O)[O-] ZINC000380449509 344369573 /nfs/dbraw/zinc/36/95/73/344369573.db2.gz KTXXLSNYBKZZFS-RAJVOEEQSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000600944532 344400019 /nfs/dbraw/zinc/40/00/19/344400019.db2.gz SSHYLQCGYBMCDU-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCCN1C ZINC000600936723 344400058 /nfs/dbraw/zinc/40/00/58/344400058.db2.gz CPCGGNDYUCPRKV-CHWSQXEVSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CCCNC(=O)[C@@H]1CCCCN1C ZINC000600945509 344400354 /nfs/dbraw/zinc/40/03/54/344400354.db2.gz XZSVAZPRLVQSHM-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN Cn1ccnc1CNCC(C)(C)C(F)(F)F ZINC000381401251 344502941 /nfs/dbraw/zinc/50/29/41/344502941.db2.gz AIVKWMCUAQBEAC-UHFFFAOYSA-N 0 1 235.253 2.098 20 0 BEADMN CCCCCN(CC(=O)OCC)C(C)C ZINC000042249889 344448035 /nfs/dbraw/zinc/44/80/35/344448035.db2.gz MEWKWIXSJMQVKH-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN C[C@H](O)CN(C)Cc1ccccc1Cl ZINC000042437566 344453154 /nfs/dbraw/zinc/45/31/54/344453154.db2.gz ABUJXZOSTHCYTA-VIFPVBQESA-N 0 1 213.708 2.153 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC(CC2CC2)C1 ZINC000622248238 344468831 /nfs/dbraw/zinc/46/88/31/344468831.db2.gz HCVZPBPNFWPBOP-UHFFFAOYSA-N 0 1 249.285 2.403 20 0 BEADMN CC(C)n1ccc(CN(C)C2CCOCC2)n1 ZINC000531104512 344480162 /nfs/dbraw/zinc/48/01/62/344480162.db2.gz KBIHZFYWGARALL-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN COC[C@H](C)NCc1cc(-c2ccccc2)no1 ZINC000622295307 344485706 /nfs/dbraw/zinc/48/57/06/344485706.db2.gz YKOZRCGIPVKIIB-NSHDSACASA-N 0 1 246.310 2.466 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H](N)c1ccccc1 ZINC000037111699 344487993 /nfs/dbraw/zinc/48/79/93/344487993.db2.gz NUWWYNKBMIBNTQ-ZDUSSCGKSA-N 0 1 234.343 2.191 20 0 BEADMN CN1CCN(C(=O)Nc2ccccc2)C(C)(C)C1 ZINC000641401381 362394788 /nfs/dbraw/zinc/39/47/88/362394788.db2.gz FGWKNKWBDZCKRZ-UHFFFAOYSA-N 0 1 247.342 2.245 20 0 BEADMN Cc1noc([C@H](C)NCC2CCSCC2)n1 ZINC000381299132 344493426 /nfs/dbraw/zinc/49/34/26/344493426.db2.gz HNRLJDLERTWEEM-QMMMGPOBSA-N 0 1 241.360 2.172 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3nn[nH]c3c2)[C@@H]1C ZINC000381278092 344514287 /nfs/dbraw/zinc/51/42/87/344514287.db2.gz XLJOTWUMRDDMBU-XLDPMVHQSA-N 0 1 216.288 2.414 20 0 BEADMN C[C@@H]1C[C@H](Nc2ccc3n[nH]nc3c2)[C@@H]1C ZINC000381278092 344514288 /nfs/dbraw/zinc/51/42/88/344514288.db2.gz XLJOTWUMRDDMBU-XLDPMVHQSA-N 0 1 216.288 2.414 20 0 BEADMN N#Cc1csc(CN[C@H]2CCC(F)(F)C2)n1 ZINC000381576561 344522046 /nfs/dbraw/zinc/52/20/46/344522046.db2.gz CLRKUIZWCNUUHG-ZETCQYMHSA-N 0 1 243.282 2.292 20 0 BEADMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1CCO ZINC000258992317 344523831 /nfs/dbraw/zinc/52/38/31/344523831.db2.gz GCKNJUOKZABFFH-CYBMUJFWSA-N 0 1 246.310 2.025 20 0 BEADMN CCC1(CNc2ncnc3[nH]cnc32)CCC1 ZINC000084489337 168484952 /nfs/dbraw/zinc/48/49/52/168484952.db2.gz OFLBAWAXINXLBV-UHFFFAOYSA-N 0 1 231.303 2.345 20 0 BEADMN CC(C)(C)c1ccc(CNC2(C(N)=O)CC2)cc1 ZINC000152437059 344565238 /nfs/dbraw/zinc/56/52/38/344565238.db2.gz NOKGUYZOWNPSCY-UHFFFAOYSA-N 0 1 246.354 2.092 20 0 BEADMN CC(C)SCc1nc(C2(N)CCC2)no1 ZINC000309446296 347065386 /nfs/dbraw/zinc/06/53/86/347065386.db2.gz LLHUBSXENQVGKJ-UHFFFAOYSA-N 0 1 227.333 2.049 20 0 BEADMN O=c1ccc([C@H]2CCC[N@H+]2CC2=CCCC2)n[nH]1 ZINC000625994566 344659833 /nfs/dbraw/zinc/65/98/33/344659833.db2.gz WKNBNZFAQQLUNU-CYBMUJFWSA-N 0 1 245.326 2.429 20 0 BEADMN FCC[C@H]1CN([C@H]2C=CCCC2)CCO1 ZINC000626002245 344662862 /nfs/dbraw/zinc/66/28/62/344662862.db2.gz JQKCGXOTJXACMK-RYUDHWBXSA-N 0 1 213.296 2.156 20 0 BEADMN CCCCCN1CCO[C@H](CCF)C1 ZINC000626002403 344663117 /nfs/dbraw/zinc/66/31/17/344663117.db2.gz MIRHBSJWQWYKIU-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN FCCCCCN1CCO[C@H](CCF)C1 ZINC000626005995 344664586 /nfs/dbraw/zinc/66/45/86/344664586.db2.gz OQVDVCUDKVTVLG-LLVKDONJSA-N 0 1 221.291 2.187 20 0 BEADMN CC(C)CCCN1CCO[C@@H](CCF)C1 ZINC000626006286 344665231 /nfs/dbraw/zinc/66/52/31/344665231.db2.gz VDGYLAMBYMJTPH-LBPRGKRZSA-N 0 1 217.328 2.483 20 0 BEADMN FCC[C@@H]1CN(CC[C@H]2CCCCO2)CCO1 ZINC000626005197 344667698 /nfs/dbraw/zinc/66/76/98/344667698.db2.gz XSMCGDDIXXWYCF-CHWSQXEVSA-N 0 1 245.338 2.006 20 0 BEADMN CO[C@H](CC(C)C)CN1CCO[C@H](CCF)C1 ZINC000626005617 344668178 /nfs/dbraw/zinc/66/81/78/344668178.db2.gz GRLWEMWEVYLKGV-CHWSQXEVSA-N 0 1 247.354 2.108 20 0 BEADMN COc1cccc2c1CN(CC[C@H]1CCOC1)C2 ZINC000626023628 344678006 /nfs/dbraw/zinc/67/80/06/344678006.db2.gz MUVBYYZOHLJOBM-LBPRGKRZSA-N 0 1 247.338 2.437 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1CCOCC(F)F ZINC000625980626 344646766 /nfs/dbraw/zinc/64/67/66/344646766.db2.gz INBCFVUEEGWXGZ-MRVPVSSYSA-N 0 1 243.244 2.388 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H]1CCCC1(F)F ZINC000394310362 344752501 /nfs/dbraw/zinc/75/25/01/344752501.db2.gz XWFLRHKRSWEJEQ-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN COc1ccc(CN2C[C@@H]3CCCC[C@@]32C)nn1 ZINC000626103929 344747962 /nfs/dbraw/zinc/74/79/62/344747962.db2.gz XIJMYIVCBHVBIX-FZMZJTMJSA-N 0 1 247.342 2.250 20 0 BEADMN Cc1cccc(NC(=O)[C@@H]2CCCCN2C)c1 ZINC000082321010 344749594 /nfs/dbraw/zinc/74/95/94/344749594.db2.gz ZAWVTZQNRIXYII-ZDUSSCGKSA-N 0 1 232.327 2.418 20 0 BEADMN FCCC[NH+]1CCN([C@H]2C=CCCC2)CC1 ZINC000626072068 344716542 /nfs/dbraw/zinc/71/65/42/344716542.db2.gz GARZXDYJYRSUDI-ZDUSSCGKSA-N 0 1 226.339 2.072 20 0 BEADMN C[C@H](NCCOC[C@H]1CCCO1)c1ccco1 ZINC000053557308 323077106 /nfs/dbraw/zinc/07/71/06/323077106.db2.gz BTFQKSZEPHLADQ-NWDGAFQWSA-N 0 1 239.315 2.126 20 0 BEADMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cn1 ZINC000075814809 344792267 /nfs/dbraw/zinc/79/22/67/344792267.db2.gz NINFZHMYYPEEIK-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN COCc1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000076110674 344795142 /nfs/dbraw/zinc/79/51/42/344795142.db2.gz HWFFENSXZFAXIK-NXEZZACHSA-N 0 1 240.372 2.377 20 0 BEADMN CCc1noc([C@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000076112544 344796246 /nfs/dbraw/zinc/79/62/46/344796246.db2.gz CNYHOVJHGAVRJQ-AEJSXWLSSA-N 0 1 223.320 2.281 20 0 BEADMN CCc1cnc(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000076112818 344796308 /nfs/dbraw/zinc/79/63/08/344796308.db2.gz NBBWYLLGOHCWLD-NXEZZACHSA-N 0 1 208.305 2.325 20 0 BEADMN CN1CCN(C(=O)OC2CCC2)c2cnccc21 ZINC000497071428 530069216 /nfs/dbraw/zinc/06/92/16/530069216.db2.gz CUEBBLWJCDFTLO-UHFFFAOYSA-N 0 1 247.298 2.027 20 0 BEADMN Cc1c[nH]c(CN(CC(C)C)C2CC2)n1 ZINC000628140463 344805642 /nfs/dbraw/zinc/80/56/42/344805642.db2.gz LPCRTXPZYJZWAM-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@H]1CN(C2CC2)CCN1C(=O)C[C@@H]1C=CCC1 ZINC001638815957 1172047935 /nfs/dbraw/zinc/04/79/35/1172047935.db2.gz JDMJZHRDEGTGEW-QWHCGFSZSA-N 0 1 248.370 2.038 20 0 BEADMN C[C@@H](NCC1(CO)CC2(CCC2)C1)c1ncc[nH]1 ZINC000560538529 344816823 /nfs/dbraw/zinc/81/68/23/344816823.db2.gz UJUVWUIRPFZNHJ-LLVKDONJSA-N 0 1 249.358 2.003 20 0 BEADMN Cn1cc(CNC2(c3ccccc3)CC2)cn1 ZINC000077379150 344817799 /nfs/dbraw/zinc/81/77/99/344817799.db2.gz LWZDFMOXGIVJNU-UHFFFAOYSA-N 0 1 227.311 2.199 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000628170753 344888169 /nfs/dbraw/zinc/88/81/69/344888169.db2.gz KBMRHGQIZNHACB-LLVKDONJSA-N 0 1 231.299 2.301 20 0 BEADMN Cc1cccc(Cl)c1C(=O)Nc1c[nH]nn1 ZINC001638894392 1172053928 /nfs/dbraw/zinc/05/39/28/1172053928.db2.gz RASIUARPXWENLH-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CCc1nc(CNC2CCC(O)CC2)cs1 ZINC000078792319 344905989 /nfs/dbraw/zinc/90/59/89/344905989.db2.gz OOGHNKBWBZWJMF-UHFFFAOYSA-N 0 1 240.372 2.099 20 0 BEADMN Cc1ncc(CN2CCC(C(F)F)CC2)o1 ZINC000628177982 344907290 /nfs/dbraw/zinc/90/72/90/344907290.db2.gz XSXWMYVGZMVRQZ-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CC[C@]1(C)CCN(Cc2nc(C)c[nH]2)C1 ZINC000628186665 344936521 /nfs/dbraw/zinc/93/65/21/344936521.db2.gz SFGNKGLOQUMYRS-GFCCVEGCSA-N 0 1 207.321 2.340 20 0 BEADMN CCCNC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000042635119 344941735 /nfs/dbraw/zinc/94/17/35/344941735.db2.gz WZNXGMJCBNDGLL-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN CC[C@H]1CCN(Cc2nc(C)c(C)[nH]2)C1 ZINC000628190200 344943001 /nfs/dbraw/zinc/94/30/01/344943001.db2.gz YQSTULKUTJOPNN-NSHDSACASA-N 0 1 207.321 2.258 20 0 BEADMN Cc1nc(CN2[C@H](C)CC[C@@H]2C)[nH]c1C ZINC000628191067 344944731 /nfs/dbraw/zinc/94/47/31/344944731.db2.gz YFIKZTQXKFBSAZ-DTORHVGOSA-N 0 1 207.321 2.399 20 0 BEADMN CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626106038 344980250 /nfs/dbraw/zinc/98/02/50/344980250.db2.gz ZWJSDUMWCXBTDA-FZMZJTMJSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123965306 345023882 /nfs/dbraw/zinc/02/38/82/345023882.db2.gz WLVSSGMOYCMRNH-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1csc(CN2CC[C@]3(CCOC3)C2)n1 ZINC000154412010 345034039 /nfs/dbraw/zinc/03/40/39/345034039.db2.gz JXKANGALMCXBIH-LBPRGKRZSA-N 0 1 238.356 2.064 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000079996011 345074052 /nfs/dbraw/zinc/07/40/52/345074052.db2.gz LHARPJXPTRJVFI-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CN(C(=O)CCCC(C)(C)C)CCN1 ZINC000155251430 345075416 /nfs/dbraw/zinc/07/54/16/345075416.db2.gz OAWJJGIRQGGLFE-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN COc1ccc([C@@H]2CC[N@@H+](CCC(C)=O)C2)cc1 ZINC000155336762 345077631 /nfs/dbraw/zinc/07/76/31/345077631.db2.gz TXNOIIAMWDYOSR-CQSZACIVSA-N 0 1 247.338 2.464 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000154893548 345055478 /nfs/dbraw/zinc/05/54/78/345055478.db2.gz CXERPHCDOXXRRM-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](O)C1 ZINC000155050664 345064666 /nfs/dbraw/zinc/06/46/66/345064666.db2.gz WDLDKIOERQPSRL-ZWNOBZJWSA-N 0 1 241.281 2.483 20 0 BEADMN Cc1ccc(O)c(CN(C)CCC(F)(F)F)n1 ZINC000156052342 345120547 /nfs/dbraw/zinc/12/05/47/345120547.db2.gz PIUHGHQTFAKYDY-UHFFFAOYSA-N 0 1 248.248 2.480 20 0 BEADMN CC(C)CN(C(=O)c1ccnc(CN)c1)C(C)C ZINC000125745454 345092326 /nfs/dbraw/zinc/09/23/26/345092326.db2.gz ZKDYOCJWDYAZQB-UHFFFAOYSA-N 0 1 249.358 2.047 20 0 BEADMN c1cc(CNC[C@H]2CC23CCSCC3)no1 ZINC000634984349 345167862 /nfs/dbraw/zinc/16/78/62/345167862.db2.gz PHEKQZILIYADQA-SNVBAGLBSA-N 0 1 238.356 2.298 20 0 BEADMN Cc1ccc(C(C)(C)CNCc2ccon2)nc1 ZINC000634988190 345170893 /nfs/dbraw/zinc/17/08/93/345170893.db2.gz PDWRGISUYNPWNQ-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN CC1(C)[C@@H](CNCc2ccon2)C1(F)F ZINC000634986761 345172377 /nfs/dbraw/zinc/17/23/77/345172377.db2.gz CYAIDDWJWFDKHG-MRVPVSSYSA-N 0 1 216.231 2.056 20 0 BEADMN CC1(C)CCC(O)(CNCc2ccon2)CC1 ZINC000634986958 345172408 /nfs/dbraw/zinc/17/24/08/345172408.db2.gz IQDXZMIJPQPMDF-UHFFFAOYSA-N 0 1 238.331 2.096 20 0 BEADMN Cc1cc(F)ccc1CCNCc1ccon1 ZINC000634967933 345143352 /nfs/dbraw/zinc/14/33/52/345143352.db2.gz ARBGAJOHBSLIIW-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN c1cc(CNC[C@H]2CCCCS2)no1 ZINC000634976111 345156059 /nfs/dbraw/zinc/15/60/59/345156059.db2.gz NZOOLTIYTQAENJ-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000635021834 345223931 /nfs/dbraw/zinc/22/39/31/345223931.db2.gz PWXVJHQTPALKLZ-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635058371 345232161 /nfs/dbraw/zinc/23/21/61/345232161.db2.gz LAFMLUZIJRCLQR-QJPTWQEYSA-N 0 1 247.342 2.304 20 0 BEADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)C)c1 ZINC000635072813 345238429 /nfs/dbraw/zinc/23/84/29/345238429.db2.gz FUOFADWELJOFGY-LLVKDONJSA-N 0 1 220.316 2.192 20 0 BEADMN O=C(NC1CCCC1)[C@@H]1CCN1C1CCCC1 ZINC000635072430 345238583 /nfs/dbraw/zinc/23/85/83/345238583.db2.gz SUBQPAGKQOHDRA-ZDUSSCGKSA-N 0 1 236.359 2.062 20 0 BEADMN CC(C)CSCCCn1ccnc1CN ZINC000600965740 345245550 /nfs/dbraw/zinc/24/55/50/345245550.db2.gz ACNNJBGDTYGFSL-UHFFFAOYSA-N 0 1 227.377 2.121 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000635095909 345245734 /nfs/dbraw/zinc/24/57/34/345245734.db2.gz LKLANJBQKFVDDP-UHFFFAOYSA-N 0 1 241.294 2.459 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000635017806 345216643 /nfs/dbraw/zinc/21/66/43/345216643.db2.gz JSAIEAWTVAJQKT-OPRDCNLKSA-N 0 1 247.285 2.359 20 0 BEADMN CCN(C(=O)[C@@H]1CCCCN1C)C1CCCC1 ZINC000635344303 345315714 /nfs/dbraw/zinc/31/57/14/345315714.db2.gz BMGLJJUBNNESKI-ZDUSSCGKSA-N 0 1 238.375 2.262 20 0 BEADMN CCc1nnc(CN2CCCC3(CC3)CC2)[nH]1 ZINC000626114376 345316073 /nfs/dbraw/zinc/31/60/73/345316073.db2.gz DMURHAFHUVBHLV-UHFFFAOYSA-N 0 1 234.347 2.133 20 0 BEADMN C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)N(C)C ZINC000635348228 345316996 /nfs/dbraw/zinc/31/69/96/345316996.db2.gz USIHQVBEKOBNND-SSDOTTSWSA-N 0 1 244.697 2.368 20 0 BEADMN C[C@H](C(=O)N1CCC[C@H]1c1ccccc1)N(C)C ZINC000635167213 345262713 /nfs/dbraw/zinc/26/27/13/345262713.db2.gz JDQRXCCQMFSASB-OCCSQVGLSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@H](C(=O)Nc1cnc2ccccc2c1)N(C)C ZINC000635172722 345264322 /nfs/dbraw/zinc/26/43/22/345264322.db2.gz ANWRITAGAXTXOC-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000635182733 345266396 /nfs/dbraw/zinc/26/63/96/345266396.db2.gz GPXLKLVXJRXENW-VXGBXAGGSA-N 0 1 247.342 2.304 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635188652 345267941 /nfs/dbraw/zinc/26/79/41/345267941.db2.gz KTPKGQXEUOZZML-WCQYABFASA-N 0 1 238.375 2.308 20 0 BEADMN CCN(Cc1ccccc1C(=O)OC)C1CC1 ZINC000130125779 345268633 /nfs/dbraw/zinc/26/86/33/345268633.db2.gz JHPVBOAHQGGKAO-UHFFFAOYSA-N 0 1 233.311 2.458 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(C)C)cc1 ZINC000635225388 345278357 /nfs/dbraw/zinc/27/83/57/345278357.db2.gz SKBLLXAZLOANNZ-VXGBXAGGSA-N 0 1 234.343 2.122 20 0 BEADMN Cc1cc(C)c(CNC(=O)[C@@H](C)N(C)C)c(C)c1 ZINC000635228884 345279183 /nfs/dbraw/zinc/27/91/83/345279183.db2.gz HJIONLKVZZZHBD-CYBMUJFWSA-N 0 1 248.370 2.178 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635229353 345279447 /nfs/dbraw/zinc/27/94/47/345279447.db2.gz NKQOYEMXJWFAMT-WRWGMCAJSA-N 0 1 247.342 2.208 20 0 BEADMN CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)N(C)C ZINC000635233252 345281272 /nfs/dbraw/zinc/28/12/72/345281272.db2.gz PESMCIYTLOOGKY-CYBMUJFWSA-N 0 1 248.370 2.294 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635271384 345292771 /nfs/dbraw/zinc/29/27/71/345292771.db2.gz PSKCGMCDEPLBCK-GRYCIOLGSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H]1CCCN1CC(=O)OC(C)(C)C ZINC000147631833 345300679 /nfs/dbraw/zinc/30/06/79/345300679.db2.gz MZYBDRBYTYYRTP-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC1(C)CCCCC1 ZINC000635405824 345348410 /nfs/dbraw/zinc/34/84/10/345348410.db2.gz HQJHBSLEJYAGNR-LBPRGKRZSA-N 0 1 238.375 2.310 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635478051 345388451 /nfs/dbraw/zinc/38/84/51/345388451.db2.gz MBMMWKHMXWCVIL-NXEZZACHSA-N 0 1 235.331 2.018 20 0 BEADMN CCc1nnc(CN2C[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000158662693 345362457 /nfs/dbraw/zinc/36/24/57/345362457.db2.gz DDNRPLHMMIEKTQ-MNOVXSKESA-N 0 1 236.363 2.378 20 0 BEADMN CC(C)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635425589 345362746 /nfs/dbraw/zinc/36/27/46/345362746.db2.gz PBRJBHWLXBMBER-WZRBSPASSA-N 0 1 247.342 2.160 20 0 BEADMN CC(C)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635425587 345362925 /nfs/dbraw/zinc/36/29/25/345362925.db2.gz PBRJBHWLXBMBER-NQBHXWOUSA-N 0 1 247.342 2.160 20 0 BEADMN C[N@@H+](CC(=O)NC1(C)CCCC1)CC(C)(C)C ZINC000635426725 345363162 /nfs/dbraw/zinc/36/31/62/345363162.db2.gz ZUANSZJKKVFLQJ-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CCc1nnc(C[N@@H+]2CC[C@@H](CC(C)C)C2)[nH]1 ZINC000158761983 345375356 /nfs/dbraw/zinc/37/53/56/345375356.db2.gz LFLJITGJSUZWQV-NSHDSACASA-N 0 1 236.363 2.235 20 0 BEADMN CN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635450338 345376655 /nfs/dbraw/zinc/37/66/55/345376655.db2.gz RVSUUXSJOIAUCF-VXGBXAGGSA-N 0 1 247.342 2.162 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCCCCC2)cc1 ZINC000228072838 178857599 /nfs/dbraw/zinc/85/75/99/178857599.db2.gz VJMAHXQNOKEJQB-CQSZACIVSA-N 0 1 246.354 2.397 20 0 BEADMN CC[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCCCC1 ZINC000635469900 345386151 /nfs/dbraw/zinc/38/61/51/345386151.db2.gz XQXSLTWGAYQHDL-DGCLKSJQSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)o1 ZINC000127384809 178848572 /nfs/dbraw/zinc/84/85/72/178848572.db2.gz UWIGKYSDKXZJMJ-GRYCIOLGSA-N 0 1 221.300 2.176 20 0 BEADMN C[C@@H]1CC(N2CCCC(=O)C2)C[C@@H](C)C1 ZINC000134210728 345403531 /nfs/dbraw/zinc/40/35/31/345403531.db2.gz SOUNGPLCLPETIZ-QWRGUYRKSA-N 0 1 209.333 2.476 20 0 BEADMN Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)N(C)C ZINC000635504275 345404665 /nfs/dbraw/zinc/40/46/65/345404665.db2.gz OLORWUPUTVCYJH-RISCZKNCSA-N 0 1 246.354 2.049 20 0 BEADMN C[C@H](C(=O)N1CCCCc2ccccc21)N(C)C ZINC000635507524 345405869 /nfs/dbraw/zinc/40/58/69/345405869.db2.gz BFVYIKJKYWADMU-GFCCVEGCSA-N 0 1 246.354 2.306 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC12CCC2 ZINC000080829238 345452616 /nfs/dbraw/zinc/45/26/16/345452616.db2.gz SHCNYSWISIYVCM-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC000051322660 345401601 /nfs/dbraw/zinc/40/16/01/345401601.db2.gz RURXWISGZYBSFP-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN CC[N@@H+](Cc1cnc(C(C)C)s1)[C@H](C)CO ZINC000354417431 345402043 /nfs/dbraw/zinc/40/20/43/345402043.db2.gz DZCSPOANRLBXLV-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN CCN(Cc1cnc(C(C)C)s1)[C@H](C)CO ZINC000354417431 345402046 /nfs/dbraw/zinc/40/20/46/345402046.db2.gz DZCSPOANRLBXLV-SNVBAGLBSA-N 0 1 242.388 2.469 20 0 BEADMN O=C(CC1CC1)Nc1ccc2nc[nH]c2c1 ZINC000082268448 345499134 /nfs/dbraw/zinc/49/91/34/345499134.db2.gz YQWQXRNUCYRIDI-UHFFFAOYSA-N 0 1 215.256 2.302 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC12CCC2 ZINC000081417096 345473331 /nfs/dbraw/zinc/47/33/31/345473331.db2.gz RNEGWTNGPAOAFZ-UHFFFAOYSA-N 0 1 241.294 2.332 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635540891 345521912 /nfs/dbraw/zinc/52/19/12/345521912.db2.gz QIRGIZFFENNGTO-DDHJBXDOSA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)CC[C@H](C)NCc1ncccn1 ZINC000068944706 349931835 /nfs/dbraw/zinc/93/18/35/349931835.db2.gz AXUPBUMDPUUIQV-NSHDSACASA-N 0 1 207.321 2.391 20 0 BEADMN C[C@@H](NCCn1cnnc1C1CC1)c1ccco1 ZINC000090033819 345562659 /nfs/dbraw/zinc/56/26/59/345562659.db2.gz HMJJRVFVDGLERM-SNVBAGLBSA-N 0 1 246.314 2.099 20 0 BEADMN Cc1nc(C)c(-c2csc([C@@H](C)N)n2)o1 ZINC000084422238 345512951 /nfs/dbraw/zinc/51/29/51/345512951.db2.gz NQBIHPBTDOSWME-RXMQYKEDSA-N 0 1 223.301 2.435 20 0 BEADMN CCc1nn(C)c(Cl)c1CN1CC[C@@H](C)C1 ZINC000092471215 345622558 /nfs/dbraw/zinc/62/25/58/345622558.db2.gz XTXUILLYGMOAPV-SECBINFHSA-N 0 1 241.766 2.478 20 0 BEADMN Fc1cc(F)c2c(c1)CN(Cc1cnc[nH]1)CC2 ZINC000093838335 345665363 /nfs/dbraw/zinc/66/53/63/345665363.db2.gz ZQFSSMYLJAOBOV-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN C[C@H](CN(C)Cc1cnnn1C)c1ccccc1 ZINC000093008851 345654544 /nfs/dbraw/zinc/65/45/44/345654544.db2.gz YMKBNMCCQYDWNS-GFCCVEGCSA-N 0 1 244.342 2.051 20 0 BEADMN Fc1cccc2c1CN(Cc1cnc[nH]1)CC2 ZINC000093454262 345670457 /nfs/dbraw/zinc/67/04/57/345670457.db2.gz OCJUODGDWJATRX-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN COc1cc(CN2CCC2(C)C)cc2c1OCO2 ZINC000093460188 345671698 /nfs/dbraw/zinc/67/16/98/345671698.db2.gz WMLIVTLYCKFPMH-UHFFFAOYSA-N 0 1 249.310 2.408 20 0 BEADMN COc1ccc(C[N@@H+]2CCN(C)CC2(C)C)cc1 ZINC000093457400 345671791 /nfs/dbraw/zinc/67/17/91/345671791.db2.gz SMNUCAQKOGTJAG-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN COCc1ccc(CN2CCC2(C)C)o1 ZINC000093460207 345672090 /nfs/dbraw/zinc/67/20/90/345672090.db2.gz VDOHHJGGIKQEQU-UHFFFAOYSA-N 0 1 209.289 2.410 20 0 BEADMN Nc1cnccc1CNC1(c2ccccc2)CC1 ZINC000641720791 362637867 /nfs/dbraw/zinc/63/78/67/362637867.db2.gz SABNECRWTBQORM-UHFFFAOYSA-N 0 1 239.322 2.443 20 0 BEADMN CC[C@@H]1CCCN1CC(=O)OC(C)(C)C ZINC000147631640 345717479 /nfs/dbraw/zinc/71/74/79/345717479.db2.gz MZYBDRBYTYYRTP-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000167091320 345722060 /nfs/dbraw/zinc/72/20/60/345722060.db2.gz KHRXSNLVSQQWFG-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN OCc1ccc(-c2cccc3cncn32)cc1 ZINC000034113494 345817267 /nfs/dbraw/zinc/81/72/67/345817267.db2.gz CSKRQLBRNHXFOY-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN Cc1cc(CCNc2cc(C)ccn2)on1 ZINC000381383594 345775778 /nfs/dbraw/zinc/77/57/78/345775778.db2.gz LYIMGPKXUBMJTG-UHFFFAOYSA-N 0 1 217.272 2.341 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCC(C)(C)CC1 ZINC000600987726 345777347 /nfs/dbraw/zinc/77/73/47/345777347.db2.gz IVJFFUDPCVEHSV-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCC1 ZINC000635565180 345789980 /nfs/dbraw/zinc/78/99/80/345789980.db2.gz BAJOGWAFEWMJHJ-MVWJERBFSA-N 0 1 247.342 2.208 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)CS1 ZINC000397790654 323096385 /nfs/dbraw/zinc/09/63/85/323096385.db2.gz HVTVWNDCZCGOBH-ZRUFSTJUSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635570369 345826445 /nfs/dbraw/zinc/82/64/45/345826445.db2.gz YESVFFZJIRTUIS-QJPTWQEYSA-N 0 1 247.342 2.304 20 0 BEADMN CCCc1cc(C(=O)N(C)CCC2CC2)n[nH]1 ZINC000154244250 537914632 /nfs/dbraw/zinc/91/46/32/537914632.db2.gz SZEINZSTRPZGAJ-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC000635604720 345888907 /nfs/dbraw/zinc/88/89/07/345888907.db2.gz WJBSBLZKGIKJGR-NNYUYHANSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]1C ZINC000635604718 345888934 /nfs/dbraw/zinc/88/89/34/345888934.db2.gz WJBSBLZKGIKJGR-DDHJBXDOSA-N 0 1 247.342 2.160 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635619512 345893043 /nfs/dbraw/zinc/89/30/43/345893043.db2.gz KZNUHCWGKCOOOM-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)CCC(C)(C)C)N(C)C ZINC000635582015 345878747 /nfs/dbraw/zinc/87/87/47/345878747.db2.gz GRXYTQNJMFGWSS-WDEREUQCSA-N 0 1 228.380 2.268 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)[C@@H](C)N(C)C ZINC000635594321 345880885 /nfs/dbraw/zinc/88/08/85/345880885.db2.gz KOBOTRFCHXAGEN-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635634320 345908285 /nfs/dbraw/zinc/90/82/85/345908285.db2.gz DGZFBVAFPGPYJJ-IRCOFANPSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635633083 345911521 /nfs/dbraw/zinc/91/15/21/345911521.db2.gz XBYHOPXHSMYLAC-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CCCc1nsc(NC[C@H]2CC23CC3)n1 ZINC000418972162 192092986 /nfs/dbraw/zinc/09/29/86/192092986.db2.gz BXCZMQYXXBPMIW-MRVPVSSYSA-N 0 1 223.345 2.125 20 0 BEADMN CO[C@@H](CNCc1cnc(C)o1)C(C)(C)C ZINC000628222326 345960403 /nfs/dbraw/zinc/96/04/03/345960403.db2.gz NAMKVVBLNCDKPY-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cc(F)cc(F)c1 ZINC000525833016 323100096 /nfs/dbraw/zinc/10/00/96/323100096.db2.gz BNLCYRILWJKGEB-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN c1nc(CCNCc2cnc(C3CC3)o2)cs1 ZINC000628219022 345947751 /nfs/dbraw/zinc/94/77/51/345947751.db2.gz ZLFYXJKJLZVPJJ-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300226103 345994481 /nfs/dbraw/zinc/99/44/81/345994481.db2.gz WHWDZJXUMOWURA-DGCLKSJQSA-N 0 1 227.348 2.465 20 0 BEADMN CCCC[C@H](NC(=O)[C@@H](C)N(C)C)C1CCC1 ZINC000635676523 345973092 /nfs/dbraw/zinc/97/30/92/345973092.db2.gz XYQFLCZXEMOYGK-YPMHNXCESA-N 0 1 240.391 2.412 20 0 BEADMN CCCC1(CNC(=O)[C@@H](C)N(C)C)CCC1 ZINC000635681566 345975928 /nfs/dbraw/zinc/97/59/28/345975928.db2.gz OJWCATFIODXJQH-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCC1(C)CCCC1 ZINC000601007278 345997375 /nfs/dbraw/zinc/99/73/75/345997375.db2.gz AXOJPYHWYCJAEI-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ncc(CNC(=O)CC(C)(C)C)[nH]1 ZINC001639094238 1172071932 /nfs/dbraw/zinc/07/19/32/1172071932.db2.gz XTJGTZZBBCPRDJ-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CCc1ncc(CNC(=O)C(C)(C)CC)[nH]1 ZINC001639093627 1172072514 /nfs/dbraw/zinc/07/25/14/1172072514.db2.gz LTAQDFRFQHYDSB-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CC(C)=C(C)CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000635714210 346026040 /nfs/dbraw/zinc/02/60/40/346026040.db2.gz AZDPIEZKMLEFPJ-NSHDSACASA-N 0 1 247.342 2.130 20 0 BEADMN CCN(CCC1CC1)C(=O)[C@@H]1CCCCN1C ZINC000635814438 346070661 /nfs/dbraw/zinc/07/06/61/346070661.db2.gz GKFIAZYFKAWGHT-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1CCCCN1C ZINC000635815677 346071934 /nfs/dbraw/zinc/07/19/34/346071934.db2.gz FXZPKNGOTPVOQI-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(C)c(CN(C)C(=O)[C@@H](C)N(C)C)c1 ZINC000635853622 346091214 /nfs/dbraw/zinc/09/12/14/346091214.db2.gz JVGVIIRASJNSTC-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@H]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635892858 346104035 /nfs/dbraw/zinc/10/40/35/346104035.db2.gz DMEAZWMIQCALAB-NNYUYHANSA-N 0 1 247.342 2.066 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC(C)(C)C1CCC1 ZINC000635991001 346141158 /nfs/dbraw/zinc/14/11/58/346141158.db2.gz DDPZTXLGZXMXRZ-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCC1 ZINC000635991609 346142101 /nfs/dbraw/zinc/14/21/01/346142101.db2.gz LUAPQHXRFWWTAL-GHMZBOCLSA-N 0 1 247.342 2.208 20 0 BEADMN CCc1cc(NC(=O)[C@@H](C)N(C)C)ccc1F ZINC000635916610 346108889 /nfs/dbraw/zinc/10/88/89/346108889.db2.gz NCIRWPFKWGVFBS-SECBINFHSA-N 0 1 238.306 2.277 20 0 BEADMN CCOCCN1CCN(c2ccc(C)cc2)CC1 ZINC000149532869 346121246 /nfs/dbraw/zinc/12/12/46/346121246.db2.gz CKCAWMQUZGEWRX-UHFFFAOYSA-N 0 1 248.370 2.154 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](C)N(C)C ZINC000635978937 346129452 /nfs/dbraw/zinc/12/94/52/346129452.db2.gz XMRINLKFWVPFGL-UPJWGTAASA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)=C(C)CC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000635977540 346130680 /nfs/dbraw/zinc/13/06/80/346130680.db2.gz DHZHXAUVZNDBFE-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1CCCCN1C ZINC000636012046 346153255 /nfs/dbraw/zinc/15/32/55/346153255.db2.gz DDBBJECHFNOEQB-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](C(=O)Nc1ccc2cnccc2c1)N(C)C ZINC000636012424 346153762 /nfs/dbraw/zinc/15/37/62/346153762.db2.gz KDKSKIKHXKOISV-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636018974 346157836 /nfs/dbraw/zinc/15/78/36/346157836.db2.gz QIDMJTBPQWXKEU-KOXOONSLSA-N 0 1 247.342 2.064 20 0 BEADMN CCCc1ncc(CNCc2ccc(=O)[nH]c2)o1 ZINC000631152620 346212836 /nfs/dbraw/zinc/21/28/36/346212836.db2.gz KFFBKAFQAVHEBV-UHFFFAOYSA-N 0 1 247.298 2.018 20 0 BEADMN Cc1cccc(C)c1COCCc1c[nH]nn1 ZINC000419049628 192098727 /nfs/dbraw/zinc/09/87/27/192098727.db2.gz CCWFLVIRGDVMQW-UHFFFAOYSA-N 0 1 231.299 2.181 20 0 BEADMN Cc1ccc(F)c(COCCc2c[nH]nn2)c1 ZINC000419055285 192098740 /nfs/dbraw/zinc/09/87/40/192098740.db2.gz NZWXBKBAVPHARK-UHFFFAOYSA-N 0 1 235.262 2.012 20 0 BEADMN FC1(F)CCC(COCCc2c[nH]nn2)CC1 ZINC000419053608 192098792 /nfs/dbraw/zinc/09/87/92/192098792.db2.gz KENYUEWENHATSB-UHFFFAOYSA-N 0 1 245.273 2.189 20 0 BEADMN Cc1cccc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000336369453 179012969 /nfs/dbraw/zinc/01/29/69/179012969.db2.gz PXPOQHGQHWFJJS-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN Cc1cccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1C ZINC000070075737 179013781 /nfs/dbraw/zinc/01/37/81/179013781.db2.gz JQEOSCAMOFZQCS-RYUDHWBXSA-N 0 1 246.354 2.126 20 0 BEADMN COc1cc(CNCCF)ccc1Cl ZINC000628258786 346258638 /nfs/dbraw/zinc/25/86/38/346258638.db2.gz SSYQPQHIKCERHQ-UHFFFAOYSA-N 0 1 217.671 2.408 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1 ZINC000045428566 179010206 /nfs/dbraw/zinc/01/02/06/179010206.db2.gz SMPBQECXXMCGNE-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN C[N@@H+](CCCc1cccc(F)c1)CCC(=O)[O-] ZINC000570097476 346285268 /nfs/dbraw/zinc/28/52/68/346285268.db2.gz FHTREWSLGZGTMK-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN Cc1nc(CN2CC[C@@]3(C2)CCCOC3)[nH]c1C ZINC000628265565 346264723 /nfs/dbraw/zinc/26/47/23/346264723.db2.gz IYWGLAOWSLKRBV-CQSZACIVSA-N 0 1 249.358 2.029 20 0 BEADMN C/C=C/C[C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000626161668 346268406 /nfs/dbraw/zinc/26/84/06/346268406.db2.gz HJSDSURTZWPTQQ-VUDBWIFFSA-N 0 1 211.305 2.139 20 0 BEADMN CCC[C@]1(NCc2cnc(C)o2)CCOC1 ZINC000628273103 346283710 /nfs/dbraw/zinc/28/37/10/346283710.db2.gz ISEVYEAKFJIDAK-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN Cc1cccc(C)c1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000235638573 179030892 /nfs/dbraw/zinc/03/08/92/179030892.db2.gz KOSAMWQIYZXKIW-STQMWFEESA-N 0 1 246.354 2.126 20 0 BEADMN Cc1cccc(C)c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000122155530 179033542 /nfs/dbraw/zinc/03/35/42/179033542.db2.gz VZSUUUGOCKWZOO-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)N(C)C ZINC000636057983 346304264 /nfs/dbraw/zinc/30/42/64/346304264.db2.gz LKGBORHQFCJRAX-KGYLQXTDSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCC1CCC1 ZINC000636066849 346306134 /nfs/dbraw/zinc/30/61/34/346306134.db2.gz ISFKWMIHZBMKIE-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)c1ccco1 ZINC000636067034 346306415 /nfs/dbraw/zinc/30/64/15/346306415.db2.gz KXIIWLYRWZXSIS-VIFPVBQESA-N 0 1 247.298 2.073 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC000636067811 346308632 /nfs/dbraw/zinc/30/86/32/346308632.db2.gz XWFROTQLJACEBE-VIFPVBQESA-N 0 1 237.347 2.359 20 0 BEADMN CCCC1(C(=O)N(C)Cc2cn[nH]c2C)CC1 ZINC000636068157 346308736 /nfs/dbraw/zinc/30/87/36/346308736.db2.gz PLCIRAHXNUPDAQ-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1=CCCCC1 ZINC000636067557 346309013 /nfs/dbraw/zinc/30/90/13/346309013.db2.gz AACHGTFYKLWDID-UHFFFAOYSA-N 0 1 233.315 2.177 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC000636068513 346309077 /nfs/dbraw/zinc/30/90/77/346309077.db2.gz IZEAQAAZWZQKBR-GFCCVEGCSA-N 0 1 247.342 2.423 20 0 BEADMN CCc1occc1C(=O)N(C)Cc1cn[nH]c1C ZINC000636069144 346309695 /nfs/dbraw/zinc/30/96/95/346309695.db2.gz CFPXWNRWPVPZMY-UHFFFAOYSA-N 0 1 247.298 2.146 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636068679 346309857 /nfs/dbraw/zinc/30/98/57/346309857.db2.gz MSJPAYUDCQDKQA-NXEZZACHSA-N 0 1 237.347 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC000636070041 346310715 /nfs/dbraw/zinc/31/07/15/346310715.db2.gz FGQQFZXABOJSPF-VIFPVBQESA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000636070620 346312022 /nfs/dbraw/zinc/31/20/22/346312022.db2.gz HDSBNPHMLCTICQ-RTXFEEFZSA-N 0 1 247.342 2.113 20 0 BEADMN CSc1ccc(CN[C@H]2C[C@@](C)(O)C2)o1 ZINC000641762127 362685451 /nfs/dbraw/zinc/68/54/51/362685451.db2.gz FWPOQCNKHNMBJN-DKTWLAJQSA-N 0 1 227.329 2.005 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000156148645 346362604 /nfs/dbraw/zinc/36/26/04/346362604.db2.gz UIOYQCGXGMOJML-KOLCDFICSA-N 0 1 247.342 2.207 20 0 BEADMN CSc1ccc(CN[C@@H]2CO[C@@H](C)C2)o1 ZINC000641767492 362702670 /nfs/dbraw/zinc/70/26/70/362702670.db2.gz KOBYVSKXELYLAT-IUCAKERBSA-N 0 1 227.329 2.269 20 0 BEADMN Cc1ccccc1N(C)C(=O)[C@@H]1CCCCN1C ZINC000636244415 346365651 /nfs/dbraw/zinc/36/56/51/346365651.db2.gz RONIZXBBKCHKBS-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636156493 346338266 /nfs/dbraw/zinc/33/82/66/346338266.db2.gz SSJZQRWMQMIUNF-HBNTYKKESA-N 0 1 235.331 2.160 20 0 BEADMN CC(C)C(NC(=O)CCc1cnc[nH]1)C(C)C ZINC000684463761 488316695 /nfs/dbraw/zinc/31/66/95/488316695.db2.gz JSBIRGXSSBSOFS-UHFFFAOYSA-N 0 1 237.347 2.139 20 0 BEADMN CCC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636310930 346388142 /nfs/dbraw/zinc/38/81/42/346388142.db2.gz QVOSDOHSLCYFEU-GHMZBOCLSA-N 0 1 249.358 2.456 20 0 BEADMN CC[C@@H](CN(CCOC)Cc1ccco1)OC ZINC000419177971 192101367 /nfs/dbraw/zinc/10/13/67/192101367.db2.gz AZMAZBFWRNFWJF-LBPRGKRZSA-N 0 1 241.331 2.153 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccncc2N)s1 ZINC000641776022 362717361 /nfs/dbraw/zinc/71/73/61/362717361.db2.gz LHLWHUBTKHNSSC-QMMMGPOBSA-N 0 1 248.355 2.280 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000042435837 179065672 /nfs/dbraw/zinc/06/56/72/179065672.db2.gz LJPMTSVRRBJVBO-LLVKDONJSA-N 0 1 221.300 2.148 20 0 BEADMN Cc1cccc(CN(C)Cc2c[nH]nn2)c1C ZINC000295161009 179066766 /nfs/dbraw/zinc/06/67/66/179066766.db2.gz DMQMLFACQDEZIZ-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000280336804 179067745 /nfs/dbraw/zinc/06/77/45/179067745.db2.gz AZSNYLAHJNWQRD-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN Cn1ccc(CN[C@@H]2CCCC(F)(F)C2)n1 ZINC000381613279 346432237 /nfs/dbraw/zinc/43/22/37/346432237.db2.gz TYFAMVREJJJABY-SECBINFHSA-N 0 1 229.274 2.088 20 0 BEADMN Cc1cccc(CN2CCOCC3(CC3)C2)n1 ZINC000336332383 179079269 /nfs/dbraw/zinc/07/92/69/179079269.db2.gz RHFXDBJPWJVSHC-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1cccc(CN2CCc3n[nH]cc3C2)c1 ZINC000270546548 179080972 /nfs/dbraw/zinc/08/09/72/179080972.db2.gz MXHUXLDEFIENJF-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN C(CN1CCO[C@H]2CCC[C@H]21)OCC1CCC1 ZINC000419198606 192103026 /nfs/dbraw/zinc/10/30/26/192103026.db2.gz CVRPEYMFXHKGCB-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1cccc(CN2CCC[C@@]23CCOC3=O)c1 ZINC000186699814 179076817 /nfs/dbraw/zinc/07/68/17/179076817.db2.gz TXINWNDLYVFUET-HNNXBMFYSA-N 0 1 245.322 2.277 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000641793674 362736675 /nfs/dbraw/zinc/73/66/75/362736675.db2.gz LLDRASSFIYVUIG-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000641793674 362736678 /nfs/dbraw/zinc/73/66/78/362736678.db2.gz LLDRASSFIYVUIG-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1cccc(CN2C[C@@H](O)C3(CC3)C2)c1F ZINC000336229030 179085235 /nfs/dbraw/zinc/08/52/35/179085235.db2.gz QMTQVJZUTQEMJG-GFCCVEGCSA-N 0 1 235.302 2.091 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000641793670 362737097 /nfs/dbraw/zinc/73/70/97/362737097.db2.gz LLDRASSFIYVUIG-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000641793670 362737101 /nfs/dbraw/zinc/73/71/01/362737101.db2.gz LLDRASSFIYVUIG-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCCC1CCC(NC(=O)CN(C)C)CC1 ZINC000170764879 346446166 /nfs/dbraw/zinc/44/61/66/346446166.db2.gz CUAUGKAZXRTDOM-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCOCCN1CC[C@H](C)[C@@H](F)C1 ZINC000679221746 488319945 /nfs/dbraw/zinc/31/99/45/488319945.db2.gz LUDMFGBQFOHQKM-RYUDHWBXSA-N 0 1 217.328 2.483 20 0 BEADMN Cc1cccc(Cl)c1CN(C)[C@@H](C)CO ZINC000295497042 179108559 /nfs/dbraw/zinc/10/85/59/179108559.db2.gz ZTKJAENSMXYUGL-JTQLQIEISA-N 0 1 227.735 2.461 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@H]1F ZINC000679224898 488321153 /nfs/dbraw/zinc/32/11/53/488321153.db2.gz VCEFGRJALDOPDU-GRYCIOLGSA-N 0 1 215.312 2.235 20 0 BEADMN O=C([O-])[C@H]1CSCC[N@H+]1CCC1CCCC1 ZINC000300727552 346497907 /nfs/dbraw/zinc/49/79/07/346497907.db2.gz DOXOSZFYBWKCDR-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN Cc1cccc(N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC000264986940 179111940 /nfs/dbraw/zinc/11/19/40/179111940.db2.gz ODBLVOPITUOCBJ-ZDUSSCGKSA-N 0 1 232.327 2.052 20 0 BEADMN CC[C@@H]1CN(CCc2ccc(OC)cc2)CCO1 ZINC000192807073 365831460 /nfs/dbraw/zinc/83/14/60/365831460.db2.gz ZSLXKHDEJWKQMP-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN Cc1cccc(NC(=O)CN2CC[C@H](C)C2)c1 ZINC000263765011 179127402 /nfs/dbraw/zinc/12/74/02/179127402.db2.gz VOTJNTKXSVPMJI-LBPRGKRZSA-N 0 1 232.327 2.275 20 0 BEADMN CCc1nnc(CN2CCCC[C@H](C)C2)o1 ZINC000187924225 346649119 /nfs/dbraw/zinc/64/91/19/346649119.db2.gz LYZWWUWWXCIAGM-JTQLQIEISA-N 0 1 223.320 2.254 20 0 BEADMN CCc1nc(CN[C@@](C)(CC)CCO)cs1 ZINC000166042567 346663899 /nfs/dbraw/zinc/66/38/99/346663899.db2.gz BHVNJBNRIYYBJL-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN CC[C@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589077572 346664120 /nfs/dbraw/zinc/66/41/20/346664120.db2.gz RQEDIYMUHURCKT-JTQLQIEISA-N 0 1 244.298 2.252 20 0 BEADMN Cc1cccc(NC(=O)N2CCNC(C)(C)C2)c1 ZINC000334576096 179132708 /nfs/dbraw/zinc/13/27/08/179132708.db2.gz HMHPNBNOBVEPHA-UHFFFAOYSA-N 0 1 247.342 2.211 20 0 BEADMN Cc1cccc(NC(=O)[C@H]2CCCN2C)c1C ZINC000082323072 179140173 /nfs/dbraw/zinc/14/01/73/179140173.db2.gz QETYYNWEOPDIHI-CYBMUJFWSA-N 0 1 232.327 2.336 20 0 BEADMN Cc1cccc(NC(=O)c2c[nH]nc2C2CC2)n1 ZINC000186936755 179141801 /nfs/dbraw/zinc/14/18/01/179141801.db2.gz CAHRVFIEINTLIF-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN c1nc2ccc(C[NH2+]Cc3cccnc3)cc2[nH]1 ZINC000589633776 346720135 /nfs/dbraw/zinc/72/01/35/346720135.db2.gz JEFBTXCPNPXNMW-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CCN(C(=O)CCC(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617933197 346723423 /nfs/dbraw/zinc/72/34/23/346723423.db2.gz JMEILEBIMNBPSA-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN COCC1(NCc2cccc(F)c2F)CC1 ZINC000381708000 346723446 /nfs/dbraw/zinc/72/34/46/346723446.db2.gz JUJQDHZPNXYVJT-UHFFFAOYSA-N 0 1 227.254 2.233 20 0 BEADMN Cc1cccc(NCCC(=O)N2CCCCC2)n1 ZINC000114184822 179144052 /nfs/dbraw/zinc/14/40/52/179144052.db2.gz VAUMJTPUJLUITL-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN Cc1cccc(NCCCN2CCCCC2=O)n1 ZINC000354878488 179144280 /nfs/dbraw/zinc/14/42/80/179144280.db2.gz LCKOHOLNCXMPSA-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C)(C)CC1 ZINC000580213994 346693902 /nfs/dbraw/zinc/69/39/02/346693902.db2.gz ZYJPEZPZVIRNEJ-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cccc(NS(=O)(=O)c2cccnc2)c1 ZINC000000428277 179152073 /nfs/dbraw/zinc/15/20/73/179152073.db2.gz RCPQJDJSHOXRAW-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN Cc1csc([C@H](C)NCCc2cnccn2)n1 ZINC000402861569 346747579 /nfs/dbraw/zinc/74/75/79/346747579.db2.gz XWQFNCFRQHJEJL-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2cocn2)C12CCC2 ZINC000182075916 346785289 /nfs/dbraw/zinc/78/52/89/346785289.db2.gz LJYHFFOEDSHKSP-NWDGAFQWSA-N 0 1 236.315 2.112 20 0 BEADMN CCN(Cc1cc(C(=O)OC)co1)C1CC1 ZINC000171031421 346804715 /nfs/dbraw/zinc/80/47/15/346804715.db2.gz SRONWZFVSQHQGR-UHFFFAOYSA-N 0 1 223.272 2.051 20 0 BEADMN CCc1nocc1CNCCOC(C)(C)C ZINC000378682481 346804821 /nfs/dbraw/zinc/80/48/21/346804821.db2.gz XYFVNFLZDHPDBL-UHFFFAOYSA-N 0 1 226.320 2.142 20 0 BEADMN c1cn2c(n1)[C@@H](NCCOC1CCCCC1)CC2 ZINC000345358186 365861964 /nfs/dbraw/zinc/86/19/64/365861964.db2.gz WFAOWZQESCGUJU-ZDUSSCGKSA-N 0 1 249.358 2.267 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ncccc1CC ZINC000582042668 347118436 /nfs/dbraw/zinc/11/84/36/347118436.db2.gz VSGNDHLETNMNGE-RAIGVLPGSA-N 0 1 234.343 2.472 20 0 BEADMN Cc1cccc(OC[C@H](C)NCc2ncc[nH]2)c1 ZINC000067694094 179171822 /nfs/dbraw/zinc/17/18/22/179171822.db2.gz LGYPUOFGRVPYGI-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2C)o1 ZINC000390584560 259394450 /nfs/dbraw/zinc/39/44/50/259394450.db2.gz XVVSIGHPDLDZKO-GUBZILKMSA-N 0 1 223.320 2.471 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(F)ccc1OC ZINC000580676497 365872734 /nfs/dbraw/zinc/87/27/34/365872734.db2.gz KSXNFFBHGSSBIH-AAEUAGOBSA-N 0 1 239.290 2.101 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccsc1 ZINC000382140328 347197664 /nfs/dbraw/zinc/19/76/64/347197664.db2.gz QMTKDYHGIKUTKO-KOLCDFICSA-N 0 1 240.372 2.313 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@H](CC)c1ccsc1 ZINC000382140329 347197827 /nfs/dbraw/zinc/19/78/27/347197827.db2.gz QMTKDYHGIKUTKO-MWLCHTKSSA-N 0 1 240.372 2.313 20 0 BEADMN Cc1nnc(CNC[C@]2(C)CCCS2)s1 ZINC000391879608 347204196 /nfs/dbraw/zinc/20/41/96/347204196.db2.gz UYWDJZKFDGNSEC-JTQLQIEISA-N 0 1 243.401 2.222 20 0 BEADMN CC[C@@H](NCC(C)(F)F)[C@H]1CCOC1 ZINC000382156482 347204961 /nfs/dbraw/zinc/20/49/61/347204961.db2.gz RIVGDOGIGUZXQN-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CCC[C@@H](CNCc1cnc(C2CC2)o1)OC ZINC000628297070 347243444 /nfs/dbraw/zinc/24/34/44/347243444.db2.gz INFVPTZZJZJKGZ-NSHDSACASA-N 0 1 238.331 2.457 20 0 BEADMN Cc1cccc([C@H](C)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338381909 179195443 /nfs/dbraw/zinc/19/54/43/179195443.db2.gz LOGMHXLZWIRTNY-AEGPPILISA-N 0 1 247.338 2.156 20 0 BEADMN Cc1ncc(CNCCC(C)(F)F)o1 ZINC000628297447 347246655 /nfs/dbraw/zinc/24/66/55/347246655.db2.gz XQQDKVYFVGSDOW-UHFFFAOYSA-N 0 1 204.220 2.118 20 0 BEADMN CC(C)(F)CCNC(=O)c1n[nH]c2ccccc21 ZINC000618402522 347248333 /nfs/dbraw/zinc/24/83/33/347248333.db2.gz YMPCIJQINUMWBV-UHFFFAOYSA-N 0 1 249.289 2.431 20 0 BEADMN Cc1cccc([C@H](C)NCc2cnnn2C)c1C ZINC000267519495 179196255 /nfs/dbraw/zinc/19/62/55/179196255.db2.gz NCWPMJIIXGITFN-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCC(F)(F)CN[C@@H](C)[C@H]1CCCOC1 ZINC000624149054 347284842 /nfs/dbraw/zinc/28/48/42/347284842.db2.gz VHXQEWABHDUARC-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccc(F)cc1F ZINC000310547089 347293339 /nfs/dbraw/zinc/29/33/39/347293339.db2.gz FCDONORWNSGLDU-LBPRGKRZSA-N 0 1 241.281 2.310 20 0 BEADMN CCCCOCCN[C@H](C)c1nccnc1C ZINC000187891502 347267313 /nfs/dbraw/zinc/26/73/13/347267313.db2.gz VFGFYBZGXUUPME-GFCCVEGCSA-N 0 1 237.347 2.252 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCOC[C@H]1C ZINC000624148848 347280449 /nfs/dbraw/zinc/28/04/49/347280449.db2.gz PDCJPJVGPZCBMS-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN CC1(C)CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000193459010 347397428 /nfs/dbraw/zinc/39/74/28/347397428.db2.gz ROTJRYYKUAKZRZ-LLVKDONJSA-N 0 1 235.331 2.037 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1CC(C(C)(C)C)C1 ZINC000616921682 347450886 /nfs/dbraw/zinc/45/08/86/347450886.db2.gz ZEKCABIGXZJXGK-UHFFFAOYSA-N 0 1 249.358 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@]1(C)CC=CCC1 ZINC000616922319 347452716 /nfs/dbraw/zinc/45/27/16/347452716.db2.gz XVPOYSAOGGHAHB-ZDUSSCGKSA-N 0 1 233.315 2.115 20 0 BEADMN CC(C)C1CC(N[C@H](C(N)=O)c2ccccc2)C1 ZINC000355337857 187375137 /nfs/dbraw/zinc/37/51/37/187375137.db2.gz SSLSEJNLLAKSNY-RUXDESIVSA-N 0 1 246.354 2.237 20 0 BEADMN CCN(Cc1csc(C)n1)C[C@@H]1CCOC1 ZINC000605716079 347427811 /nfs/dbraw/zinc/42/78/11/347427811.db2.gz IWYKYFVTSXNOMG-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN FC(F)COc1ccccc1-c1nnc[nH]1 ZINC000679391427 488349760 /nfs/dbraw/zinc/34/97/60/488349760.db2.gz YGHBROLIMYDESD-UHFFFAOYSA-N 0 1 225.198 2.116 20 0 BEADMN CCC(C)(C)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616925819 347457163 /nfs/dbraw/zinc/45/71/63/347457163.db2.gz RALUAZZMJQKJCR-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN Cc1csc(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC000616928510 347494570 /nfs/dbraw/zinc/49/45/70/347494570.db2.gz CEZHPBINUAIUHT-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CC(C)c1[nH]ccc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616928714 347494633 /nfs/dbraw/zinc/49/46/33/347494633.db2.gz JNMOOSWBXOBSDU-UHFFFAOYSA-N 0 1 246.314 2.133 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC1CC(C)(C)C1 ZINC000616928465 347494821 /nfs/dbraw/zinc/49/48/21/347494821.db2.gz AHNAQUBFTZFKQD-UHFFFAOYSA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616929026 347495731 /nfs/dbraw/zinc/49/57/31/347495731.db2.gz RGCZGFMGAZNRAM-ZYHUDNBSSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C(C)C)CC1 ZINC000045428304 179247057 /nfs/dbraw/zinc/24/70/57/179247057.db2.gz XLTSYJBXWNSEAY-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CC(C)(CNC(=O)c1cnn[nH]1)C1=CCCCC1 ZINC000355770683 187376177 /nfs/dbraw/zinc/37/61/77/187376177.db2.gz LUUHFKVBVUCHTI-UHFFFAOYSA-N 0 1 248.330 2.061 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000616973860 347544905 /nfs/dbraw/zinc/54/49/05/347544905.db2.gz FCANZJBJJQZNSR-QWRGUYRKSA-N 0 1 237.347 2.235 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000616980985 347562512 /nfs/dbraw/zinc/56/25/12/347562512.db2.gz RQGNFDIHCIEHGN-MNOVXSKESA-N 0 1 249.358 2.477 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000616980984 347562642 /nfs/dbraw/zinc/56/26/42/347562642.db2.gz RQGNFDIHCIEHGN-GHMZBOCLSA-N 0 1 249.358 2.477 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000616980986 347562807 /nfs/dbraw/zinc/56/28/07/347562807.db2.gz RQGNFDIHCIEHGN-QWRGUYRKSA-N 0 1 249.358 2.477 20 0 BEADMN Cc1ccccc1CCC[N@H+](C)[C@H](C)C(=O)[O-] ZINC000262624009 179261553 /nfs/dbraw/zinc/26/15/53/179261553.db2.gz FNZWJHYHSXKDJS-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1ccccc1CCN(C)Cc1c[nH]cn1 ZINC000295757173 179262777 /nfs/dbraw/zinc/26/27/77/179262777.db2.gz RFXCKRBQYAJVDP-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN CCCc1cc(C(=O)N(C(C)C)C2CC2)n[nH]1 ZINC000590910329 347586097 /nfs/dbraw/zinc/58/60/97/347586097.db2.gz HVASCRGYMRMWJV-UHFFFAOYSA-N 0 1 235.331 2.375 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000616975356 347546597 /nfs/dbraw/zinc/54/65/97/347546597.db2.gz BOCXQGUHVJGTDN-GHMZBOCLSA-N 0 1 249.358 2.162 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000616975359 347546857 /nfs/dbraw/zinc/54/68/57/347546857.db2.gz BOCXQGUHVJGTDN-WDEREUQCSA-N 0 1 249.358 2.162 20 0 BEADMN C/C(Cl)=C\CN(C)C[C@@H]1CCCO1 ZINC000528456023 323151791 /nfs/dbraw/zinc/15/17/91/323151791.db2.gz LFAQBRWNTUVKGW-CYNRKNSPSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@H](C)CC(=O)[O-] ZINC000042436067 179269007 /nfs/dbraw/zinc/26/90/07/179269007.db2.gz KYVCYOZIYJTMKX-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062068 347612741 /nfs/dbraw/zinc/61/27/41/347612741.db2.gz UJHWDDVIYBBFCQ-LBPRGKRZSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)CC1CC(N[C@H]2CCCC2(F)F)C1 ZINC000591657868 347687411 /nfs/dbraw/zinc/68/74/11/347687411.db2.gz VYSVEJFTTSHPPT-RTBKNWGFSA-N 0 1 247.285 2.106 20 0 BEADMN CCC[C@@H](NCc1cn[nH]c1)c1ccccn1 ZINC000591699062 347690329 /nfs/dbraw/zinc/69/03/29/347690329.db2.gz LOLICAMOGYOEIQ-GFCCVEGCSA-N 0 1 230.315 2.436 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000679569822 488358535 /nfs/dbraw/zinc/35/85/35/488358535.db2.gz KQYDTNIWBPXRFA-XQQFMLRXSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2ccccc2C)c1C ZINC000082305324 179279726 /nfs/dbraw/zinc/27/97/26/179279726.db2.gz LPLHTLITGNITJS-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN CS[C@@H](C)CCc1nc([C@@H]2CCCN2)no1 ZINC000592357070 347772856 /nfs/dbraw/zinc/77/28/56/347772856.db2.gz RWXRKPMUPFLFLB-IUCAKERBSA-N 0 1 241.360 2.178 20 0 BEADMN CCC[C@H](C(=O)OCC)N(CC)CCSC ZINC000592200143 347752141 /nfs/dbraw/zinc/75/21/41/347752141.db2.gz LAIGFAWRNWITQZ-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN CCN(CCSC)Cc1cccc(OC)n1 ZINC000592202507 347754673 /nfs/dbraw/zinc/75/46/73/347754673.db2.gz KOECKWASELUHKF-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)/C=C\C(C)(C)C ZINC000493362855 347761588 /nfs/dbraw/zinc/76/15/88/347761588.db2.gz BSFYBOVCCDIIMB-QDZRJHCZSA-N 0 1 238.375 2.189 20 0 BEADMN CCSCCN1C[C@H](CC)OC[C@@H]1C ZINC000593064731 347849346 /nfs/dbraw/zinc/84/93/46/347849346.db2.gz VPNFXCKNXIUPEX-QWRGUYRKSA-N 0 1 217.378 2.239 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1C ZINC000593099160 347855773 /nfs/dbraw/zinc/85/57/73/347855773.db2.gz HVBAFWMBKWTKAE-GRDNDAEWSA-N 0 1 249.379 2.009 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC000628300238 347885450 /nfs/dbraw/zinc/88/54/50/347885450.db2.gz WHXYVTZGVNPOKC-TZMCWYRMSA-N 0 1 231.343 2.339 20 0 BEADMN CCSCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000593746108 347935748 /nfs/dbraw/zinc/93/57/48/347935748.db2.gz KHAMHPFSWYNGLY-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN CSCCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000593746525 347937100 /nfs/dbraw/zinc/93/71/00/347937100.db2.gz RXTCTPWWXRZRLT-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC1(C)CCC1 ZINC000295304305 179325000 /nfs/dbraw/zinc/32/50/00/179325000.db2.gz YACLGFXIDBJQJJ-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccccc1[C@@H]1C(=O)NCCN1CC(C)C ZINC000375192647 179328571 /nfs/dbraw/zinc/32/85/71/179328571.db2.gz KHTCTEANZWFDOV-CQSZACIVSA-N 0 1 246.354 2.124 20 0 BEADMN Cc1ccccc1[C@H]1CN(C[C@H](C)O)[C@H](C)CO1 ZINC000297906485 179348353 /nfs/dbraw/zinc/34/83/53/179348353.db2.gz RXBJPDNUROMTED-VNHYZAJKSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1nnc(CNCCCC(C)C)s1 ZINC000308505014 323175091 /nfs/dbraw/zinc/17/50/91/323175091.db2.gz IGBZVKXSOZSJJW-UHFFFAOYSA-N 0 1 213.350 2.372 20 0 BEADMN Cc1nocc1CNC[C@@H](O)c1ccccc1C ZINC000293528122 179345788 /nfs/dbraw/zinc/34/57/88/179345788.db2.gz JEUFHAPOCXCAGI-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN CSC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000594511340 348061083 /nfs/dbraw/zinc/06/10/83/348061083.db2.gz GRTZOXXQWFWAOI-SNVBAGLBSA-N 0 1 239.388 2.061 20 0 BEADMN CCc1nc([C@H](C)SC2CCOCC2)n[nH]1 ZINC000594895041 348128012 /nfs/dbraw/zinc/12/80/12/348128012.db2.gz YCZUNTZGHBJGGC-QMMMGPOBSA-N 0 1 241.360 2.340 20 0 BEADMN CCc1nc([C@@H](C)SC[C@H]2CCCO2)n[nH]1 ZINC000594895094 348128663 /nfs/dbraw/zinc/12/86/63/348128663.db2.gz QIAKGXWMHZYKOH-RKDXNWHRSA-N 0 1 241.360 2.340 20 0 BEADMN CC(C)COCCN1CCOCC12CCCC2 ZINC000375596015 187388298 /nfs/dbraw/zinc/38/82/98/187388298.db2.gz GQJPZZCREIWTLV-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1cc(CN[C@H](C)CSCCF)on1 ZINC000595015640 348186216 /nfs/dbraw/zinc/18/62/16/348186216.db2.gz ZKOLMHSVCYGJOJ-SECBINFHSA-N 0 1 232.324 2.164 20 0 BEADMN C[C@H](CSCCF)N[C@H](C)c1nccn1C ZINC000595106137 348196946 /nfs/dbraw/zinc/19/69/46/348196946.db2.gz JICXWJDOGWUULR-NXEZZACHSA-N 0 1 245.367 2.162 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@H](C)[C@H](C)O1 ZINC000446069223 348200999 /nfs/dbraw/zinc/20/09/99/348200999.db2.gz DZXXIGDBJWZOHY-NDBYEHHHSA-N 0 1 241.375 2.442 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CCC1CCC1 ZINC000595321880 348226756 /nfs/dbraw/zinc/22/67/56/348226756.db2.gz NXJASWXMYVCLEG-UEKVPHQBSA-N 0 1 229.389 2.018 20 0 BEADMN CC(C)SCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000595279972 348211812 /nfs/dbraw/zinc/21/18/12/348211812.db2.gz NFGLZWUZVXYDTN-UHFFFAOYSA-N 0 1 231.361 2.067 20 0 BEADMN COC(=O)CN(C)C[C@H]1CCCCC1(C)C ZINC000595285896 348212673 /nfs/dbraw/zinc/21/26/73/348212673.db2.gz BDLRNDKGRBYNLZ-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H]1CCN(CCCC2CCC2)CC[S@]1=O ZINC000595458596 348256160 /nfs/dbraw/zinc/25/61/60/348256160.db2.gz IXZCWVZMDQQOHC-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)=CCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000595459628 348256184 /nfs/dbraw/zinc/25/61/84/348256184.db2.gz QQWHNMUNMKITLQ-IUODEOHRSA-N 0 1 229.389 2.186 20 0 BEADMN CC[C@@H](CC(F)F)CN(C)[C@@H](C)C(=O)OC ZINC000595472364 348260000 /nfs/dbraw/zinc/26/00/00/348260000.db2.gz GIOCJPKLAQGPDD-IUCAKERBSA-N 0 1 237.290 2.161 20 0 BEADMN COC(=O)CN(CCCC1CCC1)C(C)C ZINC000595360485 348230504 /nfs/dbraw/zinc/23/05/04/348230504.db2.gz DNZZOYQZSGOROK-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1CC=CC1 ZINC000595345594 348235238 /nfs/dbraw/zinc/23/52/38/348235238.db2.gz DSOLCSYMKIALFM-LLVKDONJSA-N 0 1 225.332 2.225 20 0 BEADMN CS[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000595512400 348266602 /nfs/dbraw/zinc/26/66/02/348266602.db2.gz YBUVLEVMSCOCIT-LLVKDONJSA-N 0 1 238.356 2.489 20 0 BEADMN CCCCN(C1CC1)C1(C(=O)OC)CCC1 ZINC000595546461 348267952 /nfs/dbraw/zinc/26/79/52/348267952.db2.gz JWWOFJRPCYLXRQ-UHFFFAOYSA-N 0 1 225.332 2.347 20 0 BEADMN OCC[C@H]1CCCN1Cc1cccc(F)c1F ZINC000310248542 187392405 /nfs/dbraw/zinc/39/24/05/187392405.db2.gz VQZGOWZZXDCKPT-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN OCC[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000310701108 187392443 /nfs/dbraw/zinc/39/24/43/187392443.db2.gz WSQSKPSDDJYFOQ-LLVKDONJSA-N 0 1 246.310 2.175 20 0 BEADMN CCCN(C[C@H](CC)OC)[C@H](C)C(=O)OCC ZINC000419311955 192119709 /nfs/dbraw/zinc/11/97/09/192119709.db2.gz RTFCCYKNBOKVFS-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@@H](NCc1nccc(OC)n1)[C@H]1CC1(C)C ZINC000419312211 192119894 /nfs/dbraw/zinc/11/98/94/192119894.db2.gz JRCYXYPXMOGAHG-GHMZBOCLSA-N 0 1 249.358 2.400 20 0 BEADMN CCc1nc([C@@H](C)N(CC)CCSC)n[nH]1 ZINC000595570907 348284405 /nfs/dbraw/zinc/28/44/05/348284405.db2.gz ZWTGZSPLFCHRQS-SECBINFHSA-N 0 1 242.392 2.113 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)[C@@H](C)[C@@H](C)O1 ZINC000419259620 192117090 /nfs/dbraw/zinc/11/70/90/192117090.db2.gz PAKGAYOEPLZBTN-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN CCN(CCCOC)[C@@H](C)C(=O)OC(C)(C)C ZINC000595596046 348293673 /nfs/dbraw/zinc/29/36/73/348293673.db2.gz GWBMHHKEDYWPTH-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@@H](NCc1nnc(C)o1)[C@@H]1CC1(C)C ZINC000419319560 192121291 /nfs/dbraw/zinc/12/12/91/192121291.db2.gz WBSWTRJJQCBIEQ-VHSXEESVSA-N 0 1 223.320 2.292 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@H](CCF)C1 ZINC000595754807 348329451 /nfs/dbraw/zinc/32/94/51/348329451.db2.gz CJAGNEGXVIYAAP-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](CCF)C1 ZINC000595756844 348330998 /nfs/dbraw/zinc/33/09/98/348330998.db2.gz XVZXYXYMYTWFQN-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN CCCCCN1CC2CC1(C(=O)OCC)C2 ZINC000595860662 348382915 /nfs/dbraw/zinc/38/29/15/348382915.db2.gz YBOPASMFQVZMCH-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CCC1CCC1 ZINC000595864284 348384767 /nfs/dbraw/zinc/38/47/67/348384767.db2.gz RWCMDFSNWFQKAF-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CC1(C)CCC1 ZINC000595871222 348385664 /nfs/dbraw/zinc/38/56/64/348385664.db2.gz QULIBDWJXHRGBT-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)[nH]1 ZINC000419359907 192126980 /nfs/dbraw/zinc/12/69/80/192126980.db2.gz RSKRNNAPGGUFBZ-DCAQKATOSA-N 0 1 236.363 2.404 20 0 BEADMN Cc1ccoc1C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001639423938 1172104833 /nfs/dbraw/zinc/10/48/33/1172104833.db2.gz XXCMKGKICFIJEU-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CC2CC1(C)C2 ZINC000595916361 348400394 /nfs/dbraw/zinc/40/03/94/348400394.db2.gz QSHOXZBQVFRKCR-AKJDGMEZSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)c1ccccc1CN1CC2CC1(C)C2 ZINC000595919622 348401302 /nfs/dbraw/zinc/40/13/02/348401302.db2.gz LGEDYGZHWYACTI-UHFFFAOYSA-N 0 1 245.322 2.458 20 0 BEADMN CC(C)NCc1nc(-c2ccc(F)cc2)no1 ZINC000037389721 348404290 /nfs/dbraw/zinc/40/42/90/348404290.db2.gz NIVWQPPBPWCQOW-UHFFFAOYSA-N 0 1 235.262 2.374 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nnc(C3CC3)[nH]2)[C@H]1C ZINC000419373426 192129383 /nfs/dbraw/zinc/12/93/83/192129383.db2.gz OEANNUPLLDEQIV-BBBLOLIVSA-N 0 1 234.347 2.158 20 0 BEADMN CC[C@H]1CCCN(Cc2nccn2C)C1 ZINC000205538302 348544533 /nfs/dbraw/zinc/54/45/33/348544533.db2.gz WSWBDQVSSRCGMB-NSHDSACASA-N 0 1 207.321 2.042 20 0 BEADMN Cc1ccsc1CCNCc1cocn1 ZINC000309234108 179540547 /nfs/dbraw/zinc/54/05/47/179540547.db2.gz XFVJUJZLAHQPQQ-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN COC(=O)c1oc(CN2CC[C@@H]2C2CC2)cc1C ZINC000597137071 348661182 /nfs/dbraw/zinc/66/11/82/348661182.db2.gz MGTRUFFMYHMFKJ-GFCCVEGCSA-N 0 1 249.310 2.359 20 0 BEADMN COC(=O)CC(C)(C)C[C@@H](C)NCC(F)F ZINC000597125927 348664218 /nfs/dbraw/zinc/66/42/18/348664218.db2.gz DPHWYPBUCAMSHV-MRVPVSSYSA-N 0 1 237.290 2.209 20 0 BEADMN CC[C@]1(NCc2nc(C)cs2)CCOC1 ZINC000389942957 538009728 /nfs/dbraw/zinc/00/97/28/538009728.db2.gz PGAMUXPYYPQGIH-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1ncccc1F ZINC000577486429 365957944 /nfs/dbraw/zinc/95/79/44/365957944.db2.gz YPGHRIKGTDDPPE-ONGXEEELSA-N 0 1 226.320 2.204 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000054053230 348849751 /nfs/dbraw/zinc/84/97/51/348849751.db2.gz XWXXFIGQTMOFFV-ZCFIWIBFSA-N 0 1 239.225 2.295 20 0 BEADMN COc1ccc(C2(NCc3cn[nH]c3)CC2)cc1 ZINC000598038031 348873288 /nfs/dbraw/zinc/87/32/88/348873288.db2.gz QDWALWSBWMPCDW-UHFFFAOYSA-N 0 1 243.310 2.197 20 0 BEADMN CCc1ccc(CN[C@@H]2CO[C@@H](C)C2)o1 ZINC000401986527 349039755 /nfs/dbraw/zinc/03/97/55/349039755.db2.gz DCFBBTJOOUGDNH-UWVGGRQHSA-N 0 1 209.289 2.109 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC000246653795 349103442 /nfs/dbraw/zinc/10/34/42/349103442.db2.gz KHXCAHPISJCNDM-NXEZZACHSA-N 0 1 223.320 2.246 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000078749688 490226334 /nfs/dbraw/zinc/22/63/34/490226334.db2.gz HHJDKLPKGLHSID-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H]1CC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759057 349149408 /nfs/dbraw/zinc/14/94/08/349149408.db2.gz QHOMXFSGHQVYCT-MNOVXSKESA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@H]1CC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759057 349149410 /nfs/dbraw/zinc/14/94/10/349149410.db2.gz QHOMXFSGHQVYCT-MNOVXSKESA-N 0 1 235.331 2.284 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421830242 192387708 /nfs/dbraw/zinc/38/77/08/192387708.db2.gz BFOMFIJCLSAFMO-BDAKNGLRSA-N 0 1 228.723 2.421 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@](C)(O)C1 ZINC000248370431 349124664 /nfs/dbraw/zinc/12/46/64/349124664.db2.gz XMXYQUYMHDXNGH-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCCCCF ZINC000308952191 349181190 /nfs/dbraw/zinc/18/11/90/349181190.db2.gz XBSHCEWTKVAVKM-SNVBAGLBSA-N 0 1 217.284 2.065 20 0 BEADMN C[C@@H]1CC[C@H](NCc2ncccn2)C[C@H]1C ZINC000251527401 349188387 /nfs/dbraw/zinc/18/83/87/349188387.db2.gz AEWRVAOEHHGODD-UTUOFQBUSA-N 0 1 219.332 2.391 20 0 BEADMN CN(CC1CCCC1)C(=O)[C@H]1CCCCN1C ZINC000599320001 349154710 /nfs/dbraw/zinc/15/47/10/349154710.db2.gz KEZAZHIWSYECEK-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000253077652 349226469 /nfs/dbraw/zinc/22/64/69/349226469.db2.gz SHCJGORTJVWIHS-GHMZBOCLSA-N 0 1 248.326 2.258 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC1CCCC1 ZINC000300731383 349293410 /nfs/dbraw/zinc/29/34/10/349293410.db2.gz FSJWHCPMFJAMJZ-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1[nH]ncc1CNc1ccc(Cl)nc1 ZINC000096033823 179859013 /nfs/dbraw/zinc/85/90/13/179859013.db2.gz VPCXZRAKHNXEAS-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cnc(C)o1 ZINC000628303194 349268163 /nfs/dbraw/zinc/26/81/63/349268163.db2.gz KCONCMKFFFAEFN-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000300902405 349425244 /nfs/dbraw/zinc/42/52/44/349425244.db2.gz WJWNLXHDAHCXBG-SRVKXCTJSA-N 0 1 227.348 2.464 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncc[nH]1)[C@@H]1CCCO1 ZINC000336680559 538045699 /nfs/dbraw/zinc/04/56/99/538045699.db2.gz CTKKHVUGUDUDKO-DCAQKATOSA-N 0 1 223.320 2.018 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])Cc1ccoc1 ZINC000070595987 350027048 /nfs/dbraw/zinc/02/70/48/350027048.db2.gz DBEPEZSLFSHIIP-UHFFFAOYSA-N 0 1 225.288 2.356 20 0 BEADMN CS[C@H]1CCC[C@H](NCc2ccon2)C1 ZINC000602005406 349411822 /nfs/dbraw/zinc/41/18/22/349411822.db2.gz IIHUOPDBBJFECY-ONGXEEELSA-N 0 1 226.345 2.438 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cnc2ccccc2c1 ZINC000302316764 350073189 /nfs/dbraw/zinc/07/31/89/350073189.db2.gz PTWPZKRYWGEGLW-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])s1)CC1CC1 ZINC000071026382 350081469 /nfs/dbraw/zinc/08/14/69/350081469.db2.gz XKFWWVSADFNHMW-UHFFFAOYSA-N 0 1 225.313 2.288 20 0 BEADMN C[C@@H]1C[C@H](NCCOCC2CCC2)c2nccn21 ZINC000567846248 350052364 /nfs/dbraw/zinc/05/23/64/350052364.db2.gz JWQAIAOWNUUOEC-YPMHNXCESA-N 0 1 249.358 2.295 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000162679850 350082960 /nfs/dbraw/zinc/08/29/60/350082960.db2.gz QAPDTBFWIQJWOG-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc(CN=c2[nH]c3cc(C)ccc3o2)[nH]n1 ZINC000604039576 350071853 /nfs/dbraw/zinc/07/18/53/350071853.db2.gz YXDGKEBGWRRBOK-UHFFFAOYSA-N 0 1 242.282 2.202 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2cnc(C3CC3)o2)O1 ZINC000628305419 350102384 /nfs/dbraw/zinc/10/23/84/350102384.db2.gz ANUMICNOIOOVLT-KOLCDFICSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)c2n[nH]c(C)n2)o1 ZINC000331357866 180032726 /nfs/dbraw/zinc/03/27/26/180032726.db2.gz ULCYUVLBQRBKHH-SECBINFHSA-N 0 1 234.303 2.208 20 0 BEADMN Cc1nc(SCc2n[nH]c(C3CC3)n2)[nH]c1C ZINC000338578920 180032977 /nfs/dbraw/zinc/03/29/77/180032977.db2.gz CWVLDPKCHRPNHD-UHFFFAOYSA-N 0 1 249.343 2.314 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccccn1 ZINC000071739092 350128699 /nfs/dbraw/zinc/12/86/99/350128699.db2.gz VHIFAXLBVSXBMV-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CCCC[C@@H]2O)cs1 ZINC000051997929 180036752 /nfs/dbraw/zinc/03/67/52/180036752.db2.gz SNRHEXLRHAPONY-QRTLGDNMSA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@](C)(O)C2CC2)cs1 ZINC000336680681 180036899 /nfs/dbraw/zinc/03/68/99/180036899.db2.gz RGVFECNQMXGHSU-PRHODGIISA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H](O)C(C)C)cs1 ZINC000158859155 180037385 /nfs/dbraw/zinc/03/73/85/180037385.db2.gz WRAROSRIAOILKX-LDYMZIIASA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H](CO)C(C)C)cs1 ZINC000336681786 180038190 /nfs/dbraw/zinc/03/81/90/180038190.db2.gz RRBIVUQEWCMRIT-KOLCDFICSA-N 0 1 242.388 2.367 20 0 BEADMN Cc1nc([C@@H](C)S[C@@H]2CCCOC2)n[nH]1 ZINC000334030134 180039493 /nfs/dbraw/zinc/03/94/93/180039493.db2.gz KEMKYICMIGRREX-VXNVDRBHSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nnc([C@@H]2CCCCN2CC2CC2)[nH]1 ZINC000336552659 180043021 /nfs/dbraw/zinc/04/30/21/180043021.db2.gz VDPGAVKGGYXHQK-NSHDSACASA-N 0 1 220.320 2.050 20 0 BEADMN Cc1nc([C@H](C)N2Cc3ccccc3C2)n[nH]1 ZINC000336281885 180047580 /nfs/dbraw/zinc/04/75/80/180047580.db2.gz OPZFDJQUQRVWCQ-VIFPVBQESA-N 0 1 228.299 2.190 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H](CO)C(C)C)cs1 ZINC000336681791 180048919 /nfs/dbraw/zinc/04/89/19/180048919.db2.gz RRBIVUQEWCMRIT-ONGXEEELSA-N 0 1 242.388 2.367 20 0 BEADMN Cc1nc([C@H](C)NC[C@@](C)(O)C2CC2)cs1 ZINC000336680682 180050026 /nfs/dbraw/zinc/05/00/26/180050026.db2.gz RGVFECNQMXGHSU-QPUJVOFHSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)cs1 ZINC000226723716 180051458 /nfs/dbraw/zinc/05/14/58/180051458.db2.gz AAGAPUPIZLUSBC-BKDNQFJXSA-N 0 1 240.372 2.262 20 0 BEADMN Cc1nc([C@H](C)S[C@H]2CCCOC2)n[nH]1 ZINC000334030132 180052751 /nfs/dbraw/zinc/05/27/51/180052751.db2.gz KEMKYICMIGRREX-CBAPKCEASA-N 0 1 227.333 2.086 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H](O)C(F)F)c(C)o1 ZINC000219281512 350119804 /nfs/dbraw/zinc/11/98/04/350119804.db2.gz WFUZJSUHCIEXRM-XCBNKYQSSA-N 0 1 233.258 2.173 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3CC3(C)C)c2[nH]1 ZINC000283530783 180062511 /nfs/dbraw/zinc/06/25/11/180062511.db2.gz RJLDMBMTYAEMAZ-LLVKDONJSA-N 0 1 243.310 2.400 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@@H]1CC12CC2 ZINC001639575526 1172118492 /nfs/dbraw/zinc/11/84/92/1172118492.db2.gz AQEFCXCBXHFYNZ-NSHDSACASA-N 0 1 227.267 2.073 20 0 BEADMN Cc1nc2cccc(C(=O)NC3CCC3)c2[nH]1 ZINC000283919579 180062780 /nfs/dbraw/zinc/06/27/80/180062780.db2.gz JZILCRKNOCYNDV-UHFFFAOYSA-N 0 1 229.283 2.154 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304160772 350146204 /nfs/dbraw/zinc/14/62/04/350146204.db2.gz BNNFKKKJRCPUJM-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1nc2ccccn2c1CN[C@@H](C)CF ZINC000309744462 180107358 /nfs/dbraw/zinc/10/73/58/180107358.db2.gz ISNPYRVTJWFEPP-VIFPVBQESA-N 0 1 221.279 2.090 20 0 BEADMN CC(C)[N@@H+](C)CCN[C@H](C)c1cncs1 ZINC000133143983 191037783 /nfs/dbraw/zinc/03/77/83/191037783.db2.gz IWEIHGWJSPIXML-SNVBAGLBSA-N 0 1 227.377 2.134 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CCOCC2CC2)cn1 ZINC000428246437 191049909 /nfs/dbraw/zinc/04/99/09/191049909.db2.gz LQVBJBAKKOAWSG-GFCCVEGCSA-N 0 1 249.358 2.204 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000426981734 191050324 /nfs/dbraw/zinc/05/03/24/191050324.db2.gz PSVKROLZIZCNJM-YPMHNXCESA-N 0 1 238.375 2.164 20 0 BEADMN Cc1ncc(CNCc2ccn(C)c2)s1 ZINC000085590979 180154431 /nfs/dbraw/zinc/15/44/31/180154431.db2.gz NHITWODLXOVREZ-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CSCCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000309209778 350191277 /nfs/dbraw/zinc/19/12/77/350191277.db2.gz GXBHWKCWAZZBLM-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN Cc1nccc(N2CC[C@H]([C@H](C)O)C2)c1Cl ZINC000335557871 180195421 /nfs/dbraw/zinc/19/54/21/180195421.db2.gz FEYGSTQQCIPLNT-UWVGGRQHSA-N 0 1 240.734 2.251 20 0 BEADMN CCCc1nc(C)c(CN(CCO)C(C)C)o1 ZINC000428473791 191078093 /nfs/dbraw/zinc/07/80/93/191078093.db2.gz OEWVPHCXSMZQLO-UHFFFAOYSA-N 0 1 240.347 2.138 20 0 BEADMN Cc1nccc(NCCc2cn[nH]c2)c1Cl ZINC000309716348 180200284 /nfs/dbraw/zinc/20/02/84/180200284.db2.gz TVZUEZAVLAGKAG-UHFFFAOYSA-N 0 1 236.706 2.421 20 0 BEADMN Cc1nccc(NCc2cccnn2)c1Cl ZINC000309222137 180202145 /nfs/dbraw/zinc/20/21/45/180202145.db2.gz JGDBRSVBMAIWAR-UHFFFAOYSA-N 0 1 234.690 2.446 20 0 BEADMN Cc1nccc(N[C@@H](CO)C(C)C)c1Cl ZINC000308853702 180202258 /nfs/dbraw/zinc/20/22/58/180202258.db2.gz NKIDWCPVRURNEZ-JTQLQIEISA-N 0 1 228.723 2.472 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCCCN1C ZINC000606357109 350318387 /nfs/dbraw/zinc/31/83/87/350318387.db2.gz MEZPJLVYJBNLNA-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN Fc1ccc(-n2cc([C@@H]3CCCCN3)nn2)cc1 ZINC000725263244 538089754 /nfs/dbraw/zinc/08/97/54/538089754.db2.gz YWLBGKJFYJVOGJ-LBPRGKRZSA-N 0 1 246.289 2.221 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426520445 191096092 /nfs/dbraw/zinc/09/60/92/191096092.db2.gz FDFGVMHAVLYSQN-STQMWFEESA-N 0 1 248.374 2.371 20 0 BEADMN Cc1ncsc1CCN1C[C@@H](C)OC[C@@H]1C ZINC000074348808 180309931 /nfs/dbraw/zinc/30/99/31/180309931.db2.gz ZXBWIDGCVQOTNS-VHSXEESVSA-N 0 1 240.372 2.103 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](CCCC(=O)[O-])C2)C1 ZINC000309421755 350375206 /nfs/dbraw/zinc/37/52/06/350375206.db2.gz ZSUVOUKCDNMGSK-AAEUAGOBSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ncsc1CN[C@H](CO)c1ccccc1 ZINC000088869991 180321689 /nfs/dbraw/zinc/32/16/89/180321689.db2.gz LLRXWTFMCIDRKL-GFCCVEGCSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1ncsc1CNCc1cccc(CO)c1 ZINC000230656828 180322835 /nfs/dbraw/zinc/32/28/35/180322835.db2.gz RFQNDYKVQHGOLL-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN CCC1(O)CN(C[C@H]2CCOc3ccccc32)C1 ZINC000162696063 350414771 /nfs/dbraw/zinc/41/47/71/350414771.db2.gz HRYLDQNADVQFMN-GFCCVEGCSA-N 0 1 247.338 2.009 20 0 BEADMN CCN(Cc1nccc(C)n1)CC1CC1 ZINC000336645631 350416123 /nfs/dbraw/zinc/41/61/23/350416123.db2.gz IPDHSFZFTXRODU-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN CCN(Cc1cccc(C)n1)[C@@H]1CCOC1 ZINC000336667763 350428003 /nfs/dbraw/zinc/42/80/03/350428003.db2.gz GWRGDTFBZIAIKC-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(Cc1nc(C)no1)CC1CCC1 ZINC000336690529 350444054 /nfs/dbraw/zinc/44/40/54/350444054.db2.gz FNFMVBSFPMEDBH-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN CCN(Cc1cnns1)[C@@H](C)C(C)C ZINC000336699642 350453939 /nfs/dbraw/zinc/45/39/39/350453939.db2.gz WTIVRMXJZCAFRZ-VIFPVBQESA-N 0 1 213.350 2.405 20 0 BEADMN CCN(Cc1cccc(C)n1)C[C@H]1CCCO1 ZINC000336704618 350456179 /nfs/dbraw/zinc/45/61/79/350456179.db2.gz NEFWCOLWZGZILJ-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@@H]3CCC[C@H]32)O1 ZINC000336725942 350483485 /nfs/dbraw/zinc/48/34/85/350483485.db2.gz RXRSODBGXMJDDN-JHJVBQTASA-N 0 1 239.359 2.197 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cccc(O)c1 ZINC000020352545 180383082 /nfs/dbraw/zinc/38/30/82/180383082.db2.gz PZNDFBGQBBMUCL-JTQLQIEISA-N 0 1 245.326 2.285 20 0 BEADMN Clc1ccc(CNc2ncnc3[nH]cnc32)o1 ZINC000642225629 362959425 /nfs/dbraw/zinc/95/94/25/362959425.db2.gz AXCRUJQGJQXBMU-UHFFFAOYSA-N 0 1 249.661 2.163 20 0 BEADMN CC(C)CN(C)C(=O)c1ccc(F)cc1O ZINC000228307705 350537247 /nfs/dbraw/zinc/53/72/47/350537247.db2.gz BQCVAPKXJOCKHX-UHFFFAOYSA-N 0 1 225.263 2.259 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)o1 ZINC000336661176 180410818 /nfs/dbraw/zinc/41/08/18/180410818.db2.gz FKQIVASILUJYIQ-BBBLOLIVSA-N 0 1 223.320 2.244 20 0 BEADMN CCN1CCN(CCCC(C)(C)C)[C@H](C)C1=O ZINC000337205872 350564493 /nfs/dbraw/zinc/56/44/93/350564493.db2.gz LKGFWGRWQNIDIX-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)(CN1CCOCC1)c1ccccc1 ZINC000080639507 490648048 /nfs/dbraw/zinc/64/80/48/490648048.db2.gz NUUBYCVSPIDROE-UHFFFAOYSA-N 0 1 219.328 2.296 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000444200692 191112482 /nfs/dbraw/zinc/11/24/82/191112482.db2.gz TYJJXUHQUPHKMN-JOYOIKCWSA-N 0 1 236.315 2.047 20 0 BEADMN CCCC[C@H](C)C(=O)Nc1nnc(CC)[nH]1 ZINC000337507639 350590886 /nfs/dbraw/zinc/59/08/86/350590886.db2.gz CAUXCUDKDORGSD-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CCCC[C@H](C)C(=O)Nc1nc(CC)n[nH]1 ZINC000337507639 350590888 /nfs/dbraw/zinc/59/08/88/350590888.db2.gz CAUXCUDKDORGSD-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CSCCNCc1nc2c(s1)CCC2 ZINC000128847047 350748215 /nfs/dbraw/zinc/74/82/15/350748215.db2.gz JOBINTSINICBQK-UHFFFAOYSA-N 0 1 228.386 2.084 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@H](C)C2)n1 ZINC000336770399 180499208 /nfs/dbraw/zinc/49/92/08/180499208.db2.gz WQDGXPHRZTUFET-NRPADANISA-N 0 1 209.293 2.217 20 0 BEADMN CCN(Cc1cccc(F)c1F)[C@@H](C)CO ZINC000339633599 350770704 /nfs/dbraw/zinc/77/07/04/350770704.db2.gz RSAIFAYDRNQDFN-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN C/C=C/CNCc1cn2ccccc2n1 ZINC000309045176 350788034 /nfs/dbraw/zinc/78/80/34/350788034.db2.gz OAEBJTLTDXULBL-NSCUHMNNSA-N 0 1 201.273 2.000 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000177560696 366006864 /nfs/dbraw/zinc/00/68/64/366006864.db2.gz YJVJISARJQQYQY-QWRGUYRKSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1c[nH]c(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000628311859 350812265 /nfs/dbraw/zinc/81/22/65/350812265.db2.gz DIYATDZNYRIGDF-JTQLQIEISA-N 0 1 207.321 2.339 20 0 BEADMN Cc1nsc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC000271371379 180523045 /nfs/dbraw/zinc/52/30/45/180523045.db2.gz PRVSPRMEOHEAQK-QMMMGPOBSA-N 0 1 235.316 2.059 20 0 BEADMN O=C(CC1CCCC1)Nc1ccc2[nH]nnc2c1 ZINC000176727554 191125826 /nfs/dbraw/zinc/12/58/26/191125826.db2.gz ZUAXNRLPNUUMGF-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CC=C(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000176376598 191125991 /nfs/dbraw/zinc/12/59/91/191125991.db2.gz ROOGQDRSRLABQT-ONNFQVAWSA-N 0 1 243.310 2.454 20 0 BEADMN CCNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000052212122 350939612 /nfs/dbraw/zinc/93/96/12/350939612.db2.gz ZYAMJLMETFQBCY-AWEZNQCLSA-N 0 1 246.354 2.268 20 0 BEADMN CN(Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000052106402 350929759 /nfs/dbraw/zinc/92/97/59/350929759.db2.gz QHQVIMLSRNPWNI-UHFFFAOYSA-N 0 1 233.271 2.171 20 0 BEADMN C/C=C/CNCc1c(OC)cccc1OC ZINC000623738955 350881529 /nfs/dbraw/zinc/88/15/29/350881529.db2.gz CVCNJHROINVARC-SNAWJCMRSA-N 0 1 221.300 2.370 20 0 BEADMN C/C=C/CNCc1nccn1CC(F)(F)F ZINC000623739231 350885027 /nfs/dbraw/zinc/88/50/27/350885027.db2.gz NPVOZEKGHPCCJT-NSCUHMNNSA-N 0 1 233.237 2.111 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C23CC(C2)C3)c1 ZINC000626374604 351018039 /nfs/dbraw/zinc/01/80/39/351018039.db2.gz BPJSOAYQGVAKFB-UHFFFAOYSA-N 0 1 245.278 2.333 20 0 BEADMN Cc1nc(SCCO)[nH]c1-c1ccccc1 ZINC000187142187 191128610 /nfs/dbraw/zinc/12/86/10/191128610.db2.gz FUUIYUUEOCRMJN-UHFFFAOYSA-N 0 1 234.324 2.470 20 0 BEADMN CC(C)(CO)[C@@H](NCCF)c1cccs1 ZINC000336759377 191128762 /nfs/dbraw/zinc/12/87/62/191128762.db2.gz LHLDDGPLCNTDPQ-JTQLQIEISA-N 0 1 231.336 2.367 20 0 BEADMN CC1(C)C[N@@H+](CCC(=O)[O-])Cc2ccccc21 ZINC000261904588 351128094 /nfs/dbraw/zinc/12/80/94/351128094.db2.gz ZUNHRJKYJICTRK-UHFFFAOYSA-N 0 1 233.311 2.255 20 0 BEADMN CC[C@H]1CCCC[C@H]1CN1CCn2nncc2C1 ZINC000628326915 351262528 /nfs/dbraw/zinc/26/25/28/351262528.db2.gz AKFFKIUPVMGPAQ-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN Cc1c[nH]c(CN2CCC23CCCC3)n1 ZINC000628323105 351224146 /nfs/dbraw/zinc/22/41/46/351224146.db2.gz AAWVKXHZZYMGDY-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CCC[C@H](C)O2)o1 ZINC000628339682 351283622 /nfs/dbraw/zinc/28/36/22/351283622.db2.gz TVHUCPYPHNIXPR-CABZTGNLSA-N 0 1 238.331 2.339 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1nnc(C)o1 ZINC000379929459 351290516 /nfs/dbraw/zinc/29/05/16/351290516.db2.gz NNRMNIBGBNRJEH-ZJUUUORDSA-N 0 1 209.293 2.046 20 0 BEADMN CCOCCN1CCOc2ccccc2[C@H]1C ZINC000607357575 351332643 /nfs/dbraw/zinc/33/26/43/351332643.db2.gz QLCVVYWFFZYZDJ-GFCCVEGCSA-N 0 1 235.327 2.479 20 0 BEADMN CN(Cc1c[nH]cn1)C[C@]1(C)CCCS1 ZINC000628336556 351279359 /nfs/dbraw/zinc/27/93/59/351279359.db2.gz JRTLMSVBXTVUMF-NSHDSACASA-N 0 1 225.361 2.127 20 0 BEADMN CCOC(=O)CN1CCc2ccccc2[C@@H](C)C1 ZINC000405045340 351546862 /nfs/dbraw/zinc/54/68/62/351546862.db2.gz UOUJQVIJKHNVHQ-LBPRGKRZSA-N 0 1 247.338 2.211 20 0 BEADMN c1c[nH]c(CN[C@@H]2CC23CCCCC3)n1 ZINC000386842049 363051283 /nfs/dbraw/zinc/05/12/83/363051283.db2.gz BBHCDOMXQCQYGH-SNVBAGLBSA-N 0 1 205.305 2.222 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCNC[C@@H]1C ZINC000637816341 351656105 /nfs/dbraw/zinc/65/61/05/351656105.db2.gz HIIJMPJJXLPBSY-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCN(Cc2ncc(C3CC3)o2)CC1(C)C ZINC000577692504 366036960 /nfs/dbraw/zinc/03/69/60/366036960.db2.gz XXXOQAWBOOZPRY-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1ccc(CN2CCC(O)CC2)c(F)c1 ZINC000637860511 351721086 /nfs/dbraw/zinc/72/10/86/351721086.db2.gz MWWOZLHDOXQEDH-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN CO[C@]1(C)C[C@@H](N(C)Cc2ccno2)C1(C)C ZINC000072897814 351735817 /nfs/dbraw/zinc/73/58/17/351735817.db2.gz OLDDJGGOGPPWTG-DGCLKSJQSA-N 0 1 238.331 2.310 20 0 BEADMN CO[C@@]1(C)C[C@H](N(C)Cc2ccno2)C1(C)C ZINC000072897817 351735856 /nfs/dbraw/zinc/73/58/56/351735856.db2.gz OLDDJGGOGPPWTG-AAEUAGOBSA-N 0 1 238.331 2.310 20 0 BEADMN C[C@H]1CN(Cc2cccc3ncccc23)CCO1 ZINC000637883810 351747920 /nfs/dbraw/zinc/74/79/20/351747920.db2.gz RMFZETOKPSNZSH-LBPRGKRZSA-N 0 1 242.322 2.456 20 0 BEADMN CCC(CC)CNC(=O)c1oc(CN)cc1C ZINC000637907774 351780588 /nfs/dbraw/zinc/78/05/88/351780588.db2.gz RDRGKHGNWHBGKG-UHFFFAOYSA-N 0 1 238.331 2.213 20 0 BEADMN Cc1ccc(CN2CCC(CO)CC2)c(F)c1 ZINC000637894053 351765282 /nfs/dbraw/zinc/76/52/82/351765282.db2.gz ZYUDTZWXJYCWAF-UHFFFAOYSA-N 0 1 237.318 2.338 20 0 BEADMN Cc1cc(CN)oc1C(=O)N(C)C1CCCC1 ZINC000637895341 351767149 /nfs/dbraw/zinc/76/71/49/351767149.db2.gz CQZNNINCFLCMLZ-UHFFFAOYSA-N 0 1 236.315 2.061 20 0 BEADMN CCN(CCOC)[C@H](C)c1cnc(C)nc1C ZINC000637895430 351767235 /nfs/dbraw/zinc/76/72/35/351767235.db2.gz DZBWCPUGMMKKGZ-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)C[C@H]1C ZINC000348091004 366081896 /nfs/dbraw/zinc/08/18/96/366081896.db2.gz ZGQSXZISIJTGJM-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN CN(Cc1ccoc1)Cc1ccc(=O)[nH]c1 ZINC000637966522 351840086 /nfs/dbraw/zinc/84/00/86/351840086.db2.gz SDLZQJNNHBTJFH-UHFFFAOYSA-N 0 1 218.256 2.012 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCCC1(C)C ZINC000637969371 351842617 /nfs/dbraw/zinc/84/26/17/351842617.db2.gz FPWGGVVXJOUZCZ-UHFFFAOYSA-N 0 1 236.315 2.061 20 0 BEADMN CC[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000618867261 351848812 /nfs/dbraw/zinc/84/88/12/351848812.db2.gz DUOGMLNCOHOKAO-LOWVWBTDSA-N 0 1 238.375 2.164 20 0 BEADMN CCC1(NC(=O)c2oc(CN)cc2C)CCC1 ZINC000638006686 351883471 /nfs/dbraw/zinc/88/34/71/351883471.db2.gz GXAFYMVGTZYAJW-UHFFFAOYSA-N 0 1 236.315 2.109 20 0 BEADMN CCC(C)(CC)NC(=O)c1oc(CN)cc1C ZINC000638000012 351877157 /nfs/dbraw/zinc/87/71/57/351877157.db2.gz MHUVYLDDGSNUCN-UHFFFAOYSA-N 0 1 238.331 2.355 20 0 BEADMN COc1ncc(CN2CCC(C)(C)C2)s1 ZINC000638069306 351941517 /nfs/dbraw/zinc/94/15/17/351941517.db2.gz NWCLMMQXBVQJKF-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN Cc1cc(CN2CCCO[C@@H](C)C2)sn1 ZINC000638022393 351902061 /nfs/dbraw/zinc/90/20/61/351902061.db2.gz IMUQMXNEDFFNOF-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CN(Cc1ccc(C(F)F)nc1)[C@H]1CCOC1 ZINC000638028225 351907521 /nfs/dbraw/zinc/90/75/21/351907521.db2.gz CIWQQZVZFCOLCW-JTQLQIEISA-N 0 1 242.269 2.240 20 0 BEADMN Cc1cc(CN(C)[C@H](CO)C(C)(C)C)sn1 ZINC000638145400 352008066 /nfs/dbraw/zinc/00/80/66/352008066.db2.gz JKHMIGXCHLFRAP-LLVKDONJSA-N 0 1 242.388 2.290 20 0 BEADMN CCC[C@H](C[N@H+]1CCSC[C@H]1C)OC ZINC000638081555 351957190 /nfs/dbraw/zinc/95/71/90/351957190.db2.gz AJFLQWQGRSJDAE-GHMZBOCLSA-N 0 1 217.378 2.239 20 0 BEADMN c1cc(CN2CCC(c3c[nH]cn3)CC2)sn1 ZINC000638085495 351962441 /nfs/dbraw/zinc/96/24/41/351962441.db2.gz LVIYTLDZTVTHBD-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN CC1=CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000638095772 351976172 /nfs/dbraw/zinc/97/61/72/351976172.db2.gz VONVMXHRYXJCAB-UHFFFAOYSA-N 0 1 245.370 2.451 20 0 BEADMN CCC1(CO)CCN(Cc2ccns2)CC1 ZINC000638106612 351985100 /nfs/dbraw/zinc/98/51/00/351985100.db2.gz CFXMLMFXPDPDEG-UHFFFAOYSA-N 0 1 240.372 2.128 20 0 BEADMN COc1ncc(C[N@H+]2C[C@H](C)C[C@H]2C)s1 ZINC000638109060 351986663 /nfs/dbraw/zinc/98/66/63/351986663.db2.gz BXEWJRLLTUHXNP-RKDXNWHRSA-N 0 1 226.345 2.382 20 0 BEADMN CC(C)C1(CN2CCC[C@@H]2c2nncn2C)CC1 ZINC000638136865 352003573 /nfs/dbraw/zinc/00/35/73/352003573.db2.gz OAOZTCGZCKOPSC-GFCCVEGCSA-N 0 1 248.374 2.388 20 0 BEADMN O=C(C1CCC=CCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638197766 352059242 /nfs/dbraw/zinc/05/92/42/352059242.db2.gz NJTFQDLBJCGSFO-OKILXGFUSA-N 0 1 248.370 2.086 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000638200763 352061186 /nfs/dbraw/zinc/06/11/86/352061186.db2.gz SBAFYHNJSQQLFD-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[N@H+](Cc2cccs2)[C@@H](C)C1 ZINC000286578814 352094713 /nfs/dbraw/zinc/09/47/13/352094713.db2.gz QCTWRLSBZKDAOT-NSHDSACASA-N 0 1 224.373 2.274 20 0 BEADMN CCc1cc(CNC[C@](C)(CC)OC)on1 ZINC000638273361 352110695 /nfs/dbraw/zinc/11/06/95/352110695.db2.gz HUXLWNKXBZRIHQ-LBPRGKRZSA-N 0 1 226.320 2.142 20 0 BEADMN Cc1nnsc1CN1CC[C@@H]1C(C)C ZINC000638273496 352110736 /nfs/dbraw/zinc/11/07/36/352110736.db2.gz COOVTMNBDULEAQ-SECBINFHSA-N 0 1 211.334 2.077 20 0 BEADMN Cc1csc(CNC2CC(n3cccn3)C2)n1 ZINC000638344010 352162825 /nfs/dbraw/zinc/16/28/25/352162825.db2.gz RAYMYNFKXPHICA-UHFFFAOYSA-N 0 1 248.355 2.141 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccccn2)[C@H]1[C@@H]1CCCO1 ZINC000289811308 352199153 /nfs/dbraw/zinc/19/91/53/352199153.db2.gz OHQMPEICLWIDJH-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN CC1(C)CN(Cc2ccccn2)[C@H]1[C@@H]1CCCO1 ZINC000289811308 352199157 /nfs/dbraw/zinc/19/91/57/352199157.db2.gz OHQMPEICLWIDJH-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN c1c(CNC[C@@H]2CCCCO2)onc1C1CC1 ZINC000638426908 352234643 /nfs/dbraw/zinc/23/46/43/352234643.db2.gz MVDYIBSXFONNDH-NSHDSACASA-N 0 1 236.315 2.211 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2ccccc2)n[nH]1 ZINC000411146426 191162828 /nfs/dbraw/zinc/16/28/28/191162828.db2.gz FRWMSIZNBQMRSV-SNVBAGLBSA-N 0 1 230.315 2.306 20 0 BEADMN CC[C@H](C)N(CC)C(=O)c1oc(CN)cc1C ZINC000638403442 352209803 /nfs/dbraw/zinc/20/98/03/352209803.db2.gz TYIBINSGOCFOKK-JTQLQIEISA-N 0 1 238.331 2.307 20 0 BEADMN CCCC[N@@H+](CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411131038 191161383 /nfs/dbraw/zinc/16/13/83/191161383.db2.gz DOWPEOPDLPCHCJ-VIFPVBQESA-N 0 1 210.325 2.296 20 0 BEADMN CCCCN(CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411131038 191161386 /nfs/dbraw/zinc/16/13/86/191161386.db2.gz DOWPEOPDLPCHCJ-VIFPVBQESA-N 0 1 210.325 2.296 20 0 BEADMN CCN(Cc1c(C)noc1C)C[C@H](C)OC ZINC000291075995 352259882 /nfs/dbraw/zinc/25/98/82/352259882.db2.gz MNPQSWURUIQYPG-VIFPVBQESA-N 0 1 226.320 2.148 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC000411149324 191164681 /nfs/dbraw/zinc/16/46/81/191164681.db2.gz QGTCBRLBFUZKKY-BBBLOLIVSA-N 0 1 222.336 2.152 20 0 BEADMN CC(C)(C)OCCNCc1cc(C2CC2)no1 ZINC000638450638 352261169 /nfs/dbraw/zinc/26/11/69/352261169.db2.gz QDUIIHBHZWGPHB-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN CC1(NCc2cccc3c2CCC3)COC1 ZINC000630072711 363156039 /nfs/dbraw/zinc/15/60/39/363156039.db2.gz WFJCBNBISHBRNE-UHFFFAOYSA-N 0 1 217.312 2.054 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)on1 ZINC000630072853 363156226 /nfs/dbraw/zinc/15/62/26/363156226.db2.gz KXIBJCOLJKOSFJ-UHFFFAOYSA-N 0 1 212.268 2.307 20 0 BEADMN CCCN(CCC)[C@@H](C)c1nnnn1C1CC1 ZINC000411168604 191165840 /nfs/dbraw/zinc/16/58/40/191165840.db2.gz QISCTQDJYIGDGB-JTQLQIEISA-N 0 1 237.351 2.191 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)c1cc(C)[nH]n1 ZINC000290889200 352247708 /nfs/dbraw/zinc/24/77/08/352247708.db2.gz ALZWODPCUYHIIG-JTQLQIEISA-N 0 1 223.320 2.369 20 0 BEADMN CCCC[C@@H](C)N(C)c1nc2[nH]ncc2c(=O)[nH]1 ZINC000290933463 352250174 /nfs/dbraw/zinc/25/01/74/352250174.db2.gz ZESOMRSLDOPCAE-MRVPVSSYSA-N 0 1 249.318 2.073 20 0 BEADMN CCN(Cc1ccc(F)cc1F)[C@H](C)CO ZINC000292343472 352315721 /nfs/dbraw/zinc/31/57/21/352315721.db2.gz XBZCIQVHXIBVSC-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C)O1)c1nccs1 ZINC000148735080 352281553 /nfs/dbraw/zinc/28/15/53/352281553.db2.gz GWYRNIBCJOQLEK-LPEHRKFASA-N 0 1 226.345 2.361 20 0 BEADMN C[C@@H](NCc1nc2ccccc2o1)C(C)(C)O ZINC000638478679 352289160 /nfs/dbraw/zinc/28/91/60/352289160.db2.gz JRMOOAOKGHADJB-SECBINFHSA-N 0 1 234.299 2.077 20 0 BEADMN CCCCCC(=O)N1CCNC[C@H]1C(C)C ZINC000638484865 352295154 /nfs/dbraw/zinc/29/51/54/352295154.db2.gz VENNBBYXMYKRCJ-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](NCCC1CCOCC1)c1csnn1 ZINC000398255424 363183376 /nfs/dbraw/zinc/18/33/76/363183376.db2.gz ZCACYHSOTTZDDM-VIFPVBQESA-N 0 1 241.360 2.005 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638492463 352305320 /nfs/dbraw/zinc/30/53/20/352305320.db2.gz VUOHVUKHCWUYEX-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN CCN(Cc1cccc(F)c1F)[C@H](C)CO ZINC000292265269 352310728 /nfs/dbraw/zinc/31/07/28/352310728.db2.gz RSAIFAYDRNQDFN-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CC[N@@H+](Cc1cnc2ccccc2c1)[C@@H](C)CO ZINC000293468069 352352120 /nfs/dbraw/zinc/35/21/20/352352120.db2.gz QUZAJQKUPOLXHH-LBPRGKRZSA-N 0 1 244.338 2.438 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H](C)c1nnc(C)[nH]1 ZINC000411256964 191171828 /nfs/dbraw/zinc/17/18/28/191171828.db2.gz RSHMGNWJKBTFKF-BDAKNGLRSA-N 0 1 210.325 2.152 20 0 BEADMN CCN(Cc1cc(OC)ccc1F)[C@@H](C)CO ZINC000293648450 352357129 /nfs/dbraw/zinc/35/71/29/352357129.db2.gz MTVPEALTFMGGMO-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)[C@H](C)[C@@H](C)O1 ZINC000411613899 191197031 /nfs/dbraw/zinc/19/70/31/191197031.db2.gz QFOYIDRWZRSAAS-GMTAPVOTSA-N 0 1 240.372 2.183 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)[C@@H](C)[C@H](C)O1 ZINC000411613902 191197403 /nfs/dbraw/zinc/19/74/03/191197403.db2.gz QFOYIDRWZRSAAS-VWYCJHECSA-N 0 1 240.372 2.183 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1cc(C2CC2)no1 ZINC000638581191 352411833 /nfs/dbraw/zinc/41/18/33/352411833.db2.gz LYEMFXQPSXJMNH-RNCFNFMXSA-N 0 1 238.331 2.049 20 0 BEADMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CCC1 ZINC000607938777 352441315 /nfs/dbraw/zinc/44/13/15/352441315.db2.gz RUUKFQSPDMSJFD-UHFFFAOYSA-N 0 1 245.282 2.294 20 0 BEADMN CCCN(CC[C@@H](C)F)[C@H](C)C(=O)OCC ZINC000411650482 191205040 /nfs/dbraw/zinc/20/50/40/191205040.db2.gz RKFUPEZTOCLQOO-GHMZBOCLSA-N 0 1 233.327 2.398 20 0 BEADMN C[C@H](O)CCNC1(C(F)F)CCCCC1 ZINC000411714896 191205545 /nfs/dbraw/zinc/20/55/45/191205545.db2.gz ADWZQCBDKQUTRM-VIFPVBQESA-N 0 1 221.291 2.315 20 0 BEADMN Cc1nnc([C@H](C)N(C)C[C@@H]2CC=CCC2)[nH]1 ZINC000411515484 191191972 /nfs/dbraw/zinc/19/19/72/191191972.db2.gz VWHVKNNPAKSLFY-CMPLNLGQSA-N 0 1 234.347 2.462 20 0 BEADMN NCc1cc(C(=O)NCC[C@H]2CC=CCC2)co1 ZINC000638601955 352437842 /nfs/dbraw/zinc/43/78/42/352437842.db2.gz SWDGJQHTAXRUEB-NSHDSACASA-N 0 1 248.326 2.215 20 0 BEADMN C[C@H]1CCCC[C@@H]1CCNCc1ncnn1C ZINC000638616206 352456634 /nfs/dbraw/zinc/45/66/34/352456634.db2.gz OPQOVXRKOZUHKW-NWDGAFQWSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)C1CCC1 ZINC000411818324 191213440 /nfs/dbraw/zinc/21/34/40/191213440.db2.gz IUIVXJQFRKWOBR-JTQLQIEISA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@@H](F)CN1CCC(c2ccncn2)CC1 ZINC000411834140 191214028 /nfs/dbraw/zinc/21/40/28/191214028.db2.gz MXAXNCKDBMXGAN-GFCCVEGCSA-N 0 1 237.322 2.404 20 0 BEADMN CC[C@@H](O)CCCNCc1nc2ccccc2o1 ZINC000638672659 352514407 /nfs/dbraw/zinc/51/44/07/352514407.db2.gz XHNRWYPZKHBQDR-LLVKDONJSA-N 0 1 248.326 2.469 20 0 BEADMN CCCCOCCN1CCO[C@@H](C2CCC2)C1 ZINC000411837767 191215705 /nfs/dbraw/zinc/21/57/05/191215705.db2.gz ACTIYGQUQGBGJL-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN Cn1ncnc1CNCCCCC1CCCC1 ZINC000638692812 352529610 /nfs/dbraw/zinc/52/96/10/352529610.db2.gz MFOZRLKMKCEECJ-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN Cc1csc([C@H](C)NC[C@@H]2CCCO2)n1 ZINC000045206274 352588093 /nfs/dbraw/zinc/58/80/93/352588093.db2.gz ONWUIJCZKVCBEV-UWVGGRQHSA-N 0 1 226.345 2.281 20 0 BEADMN CC[C@@H]1CCCN1Cc1nnc(C)n1C1CC1 ZINC000340690235 352642453 /nfs/dbraw/zinc/64/24/53/352642453.db2.gz KGUMAFCKDXTWKD-LLVKDONJSA-N 0 1 234.347 2.296 20 0 BEADMN CC[C@@H](C)Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133884030 352643377 /nfs/dbraw/zinc/64/33/77/352643377.db2.gz IJJVDSIHMXGAKR-SSDOTTSWSA-N 0 1 208.261 2.299 20 0 BEADMN c1cncc(CCN2CCO[C@H](C3CCC3)C2)c1 ZINC000411855978 191220496 /nfs/dbraw/zinc/22/04/96/191220496.db2.gz VHIXUZYINRDALE-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@H](C3CCC3)C2)O1 ZINC000411850784 191220709 /nfs/dbraw/zinc/22/07/09/191220709.db2.gz PGMLXOVJQRZLNU-XBFCOCLRSA-N 0 1 239.359 2.055 20 0 BEADMN Cn1ncc2c1CCC[N@@H+](CCCCCF)C2 ZINC000411858933 191222020 /nfs/dbraw/zinc/22/20/20/191222020.db2.gz UKECZOSOXWOEHQ-UHFFFAOYSA-N 0 1 239.338 2.308 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459107 352637435 /nfs/dbraw/zinc/63/74/35/352637435.db2.gz SPISGKBTJIZECY-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(CN)o1 ZINC000638757339 352687920 /nfs/dbraw/zinc/68/79/20/352687920.db2.gz LJYAQKYTSDJQRT-HZMBPMFUSA-N 0 1 248.326 2.143 20 0 BEADMN CCc1cccnc1[C@H](C)N[C@H]1C=C[C@@H](CO)C1 ZINC000341247543 352698728 /nfs/dbraw/zinc/69/87/28/352698728.db2.gz QTGXVWPNKYSUFT-SCRDCRAPSA-N 0 1 246.354 2.232 20 0 BEADMN C[C@@]1(CNCc2cc(C3CC3)no2)CCCO1 ZINC000638762358 352700245 /nfs/dbraw/zinc/70/02/45/352700245.db2.gz CVFVNSSBNYTBKB-ZDUSSCGKSA-N 0 1 236.315 2.211 20 0 BEADMN CC(C)(CF)NCc1cnn2ccccc12 ZINC000309353313 187820153 /nfs/dbraw/zinc/82/01/53/187820153.db2.gz NJXOIRJSVUQMQB-UHFFFAOYSA-N 0 1 221.279 2.172 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1ncc(C)o1)C1CC1 ZINC000411948055 191231531 /nfs/dbraw/zinc/23/15/31/191231531.db2.gz MVCVVZXFNWCEMN-GWCFXTLKSA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1ncccc1F)OC ZINC000638777036 352724022 /nfs/dbraw/zinc/72/40/22/352724022.db2.gz BHCGUUXKRQJKAV-ZWNOBZJWSA-N 0 1 240.322 2.371 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ncccc2F)CS1 ZINC000638776988 352724137 /nfs/dbraw/zinc/72/41/37/352724137.db2.gz APCCCTVRQPGYBZ-RKDXNWHRSA-N 0 1 226.320 2.204 20 0 BEADMN CCN1CCN(C(=O)C[C@H](C)C(C)C)[C@@H](C)C1 ZINC000341838924 352729603 /nfs/dbraw/zinc/72/96/03/352729603.db2.gz IRIRCFLHYYPJAH-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCC[C@@H](CNCc1ncccc1F)OC ZINC000638780458 352731095 /nfs/dbraw/zinc/73/10/95/352731095.db2.gz QNQWRRDIPWJFIJ-JTQLQIEISA-N 0 1 226.295 2.125 20 0 BEADMN CO[C@](C)(CNCc1ncccc1F)C1CC1 ZINC000638780462 352731439 /nfs/dbraw/zinc/73/14/39/352731439.db2.gz QRDZBPPQZVUUOF-CYBMUJFWSA-N 0 1 238.306 2.125 20 0 BEADMN CO[C@@H](CNCc1ncccc1F)CC(C)C ZINC000638780989 352733890 /nfs/dbraw/zinc/73/38/90/352733890.db2.gz ZAAQQZJONYIRML-LLVKDONJSA-N 0 1 240.322 2.371 20 0 BEADMN Clc1cncnc1N[C@H]1CCCc2cn[nH]c21 ZINC000344938431 538105246 /nfs/dbraw/zinc/10/52/46/538105246.db2.gz JPXSHLOGVSKHSI-VIFPVBQESA-N 0 1 249.705 2.343 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000032013858 352735437 /nfs/dbraw/zinc/73/54/37/352735437.db2.gz XEMVZRFHNYIUDY-UHFFFAOYSA-N 0 1 221.300 2.229 20 0 BEADMN CC(C)CN1CCN(CCC(C)(C)C)CC1=O ZINC000342120715 352737672 /nfs/dbraw/zinc/73/76/72/352737672.db2.gz FGBONNUVIAXADM-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(=O)[nH]n1 ZINC000353689102 352757318 /nfs/dbraw/zinc/75/73/18/352757318.db2.gz PUAGKVUNWUSYKT-NKWVEPMBSA-N 0 1 249.236 2.174 20 0 BEADMN FC(F)[C@H]1CCCN1CC1CCOCC1 ZINC000334176635 352761970 /nfs/dbraw/zinc/76/19/70/352761970.db2.gz BTGLWOOBOZXCJX-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C)[C@H](C)C2)n1 ZINC000334179323 352765918 /nfs/dbraw/zinc/76/59/18/352765918.db2.gz AIMWCZACIHXVQK-WDEREUQCSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000334179320 352766005 /nfs/dbraw/zinc/76/60/05/352766005.db2.gz AIMWCZACIHXVQK-MNOVXSKESA-N 0 1 219.332 2.263 20 0 BEADMN CCN1C[C@H](C)N(Cc2nccs2)C[C@@H]1C ZINC000334220037 352821842 /nfs/dbraw/zinc/82/18/42/352821842.db2.gz UZDPZKIJZVBQJM-QWRGUYRKSA-N 0 1 239.388 2.058 20 0 BEADMN Cn1c(CN2CC[C@H]3CCC[C@H]32)nnc1C1CC1 ZINC000334240643 352827904 /nfs/dbraw/zinc/82/79/04/352827904.db2.gz MHRDWTDQNGMOHY-ZYHUDNBSSA-N 0 1 246.358 2.067 20 0 BEADMN Cc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000336555639 187881856 /nfs/dbraw/zinc/88/18/56/187881856.db2.gz XZDJPIVJFDBHRQ-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C3CC3)C2)n1 ZINC000334196835 352788200 /nfs/dbraw/zinc/78/82/00/352788200.db2.gz LCFOQGVPYAQBMX-GFCCVEGCSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1cccnc1CN(C)[C@@H]1CCCOC1 ZINC000334203602 352797809 /nfs/dbraw/zinc/79/78/09/352797809.db2.gz QZJKCQJRMHFDEI-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000334232260 352850368 /nfs/dbraw/zinc/85/03/68/352850368.db2.gz VTXAFLWGHIZUTK-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2(C)CCC2)C[C@H]1C ZINC000334236417 352854265 /nfs/dbraw/zinc/85/42/65/352854265.db2.gz LETWDPJWTDUHON-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@H]([C@@H](C)O)C1 ZINC000412085410 191255084 /nfs/dbraw/zinc/25/50/84/191255084.db2.gz NAGSJDDPJBAFCC-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CCC(C)(C)N(C)Cc1ncc(C)n1C ZINC000342807936 352861359 /nfs/dbraw/zinc/86/13/59/352861359.db2.gz QHCUYBRXSQNEIT-UHFFFAOYSA-N 0 1 209.337 2.349 20 0 BEADMN CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000334259684 352871401 /nfs/dbraw/zinc/87/14/01/352871401.db2.gz UVFYBXXVCRMDML-OLZOCXBDSA-N 0 1 246.354 2.128 20 0 BEADMN CC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000334259684 352871402 /nfs/dbraw/zinc/87/14/02/352871402.db2.gz UVFYBXXVCRMDML-OLZOCXBDSA-N 0 1 246.354 2.128 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000334246247 352836368 /nfs/dbraw/zinc/83/63/68/352836368.db2.gz SVPXKGRPFGVDNL-GWCFXTLKSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2ccc(F)cc2)[nH]1 ZINC000334272873 352910582 /nfs/dbraw/zinc/91/05/82/352910582.db2.gz JKUANEQAOXIAEJ-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)[C@H](C)C2)n1C1CC1 ZINC000334274852 352911105 /nfs/dbraw/zinc/91/11/05/352911105.db2.gz QQBQJHGFIWQHJQ-NXEZZACHSA-N 0 1 234.347 2.009 20 0 BEADMN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC000334282956 352923887 /nfs/dbraw/zinc/92/38/87/352923887.db2.gz YSYHLLNNQSNLPV-VXGBXAGGSA-N 0 1 221.348 2.431 20 0 BEADMN Cc1noc([C@@H]2CCCN2CC2CCC2)n1 ZINC000334285101 352924874 /nfs/dbraw/zinc/92/48/74/352924874.db2.gz BQIAPJXVCBRDFJ-NSHDSACASA-N 0 1 221.304 2.315 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@H]2CCC[C@H]21 ZINC000334264515 352899043 /nfs/dbraw/zinc/89/90/43/352899043.db2.gz LFIYXNJBLSGZPI-MWLCHTKSSA-N 0 1 233.315 2.321 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@@H]2CCC[C@@H]21 ZINC000334264518 352899091 /nfs/dbraw/zinc/89/90/91/352899091.db2.gz LFIYXNJBLSGZPI-ONGXEEELSA-N 0 1 233.315 2.321 20 0 BEADMN CCc1nocc1CN1CCC12CCC2 ZINC000334268607 352904942 /nfs/dbraw/zinc/90/49/42/352904942.db2.gz ORPQIPWCCVQUHT-UHFFFAOYSA-N 0 1 206.289 2.365 20 0 BEADMN F[C@@H]1CCC[C@@H]1NCc1cccc2c1OCO2 ZINC000334303082 352939377 /nfs/dbraw/zinc/93/93/77/352939377.db2.gz CUBUABGJLZXLML-MNOVXSKESA-N 0 1 237.274 2.396 20 0 BEADMN c1nc2n(n1)CCC[C@@H]2N[C@H]1CCC12CCC2 ZINC000334327666 352963915 /nfs/dbraw/zinc/96/39/15/352963915.db2.gz HMXJVMZPJFIYHI-QWRGUYRKSA-N 0 1 232.331 2.035 20 0 BEADMN N[C@@H](C(=O)N[C@@H]1CCCC12CC2)c1ccccc1 ZINC000638830068 353008746 /nfs/dbraw/zinc/00/87/46/353008746.db2.gz BAPDDNLVSGHFMU-CHWSQXEVSA-N 0 1 244.338 2.135 20 0 BEADMN CCC[C@@H](C[N@H+]1CCO[C@H](C(C)C)C1)OC ZINC000638910589 353074546 /nfs/dbraw/zinc/07/45/46/353074546.db2.gz ALDPSQADXYDBAS-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN COC1(C)CCN(Cc2cc(C)ns2)CC1 ZINC000638925736 353086192 /nfs/dbraw/zinc/08/61/92/353086192.db2.gz VEIJVKUGRPINLP-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)n[nH]1 ZINC000334407419 353089110 /nfs/dbraw/zinc/08/91/10/353089110.db2.gz IJQCCRXKIJLJEW-JTQLQIEISA-N 0 1 249.358 2.480 20 0 BEADMN CCN(Cc1ccoc1)CC1=CCCOC1 ZINC000092935953 538108267 /nfs/dbraw/zinc/10/82/67/538108267.db2.gz NSKALIHSXPVEFW-UHFFFAOYSA-N 0 1 221.300 2.448 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccncc2Cl)CO1 ZINC000402263761 353159157 /nfs/dbraw/zinc/15/91/57/353159157.db2.gz CEXQIAUGAJGGQO-PSASIEDQSA-N 0 1 226.707 2.002 20 0 BEADMN CC(C)c1ncc(CN(C)C2CC(O)C2)s1 ZINC000355365036 188064455 /nfs/dbraw/zinc/06/44/55/188064455.db2.gz FNRBTEVWZKKQFJ-UHFFFAOYSA-N 0 1 240.372 2.222 20 0 BEADMN C[C@@H]1CCCC[N@@H+]1Cc1ncccc1[O-] ZINC000002036675 538108994 /nfs/dbraw/zinc/10/89/94/538108994.db2.gz LLEKBGJAURSHLN-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000002036675 538108995 /nfs/dbraw/zinc/10/89/95/538108995.db2.gz LLEKBGJAURSHLN-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN CC(C)(O)CNCc1ncc(C(C)(C)C)s1 ZINC000279220157 188095929 /nfs/dbraw/zinc/09/59/29/188095929.db2.gz XGMWGFAGBFRDDA-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1ccnnc1 ZINC000178987430 538109139 /nfs/dbraw/zinc/10/91/39/538109139.db2.gz WAYARFFFPDSULK-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CCc1nnc(NC(=O)C2CCCCCC2)[nH]1 ZINC000125760541 353182525 /nfs/dbraw/zinc/18/25/25/353182525.db2.gz KZBQUGZWFKDOIH-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C2CCCCCC2)n1 ZINC000125760541 353182527 /nfs/dbraw/zinc/18/25/27/353182527.db2.gz KZBQUGZWFKDOIH-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN Cc1csc(CN[C@@H](C)[C@@H]2CCCO2)n1 ZINC000082725384 188122067 /nfs/dbraw/zinc/12/20/67/188122067.db2.gz QMZQMTUAGXFJDV-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN CCc1cnc(CNC[C@@H](OC)C(C)C)s1 ZINC000336762532 353202987 /nfs/dbraw/zinc/20/29/87/353202987.db2.gz LLPTYICUWLBCFQ-LLVKDONJSA-N 0 1 242.388 2.466 20 0 BEADMN C[C@H](CN[C@H](C)c1ccc(Cl)nc1)[NH+](C)C ZINC000128787172 188155717 /nfs/dbraw/zinc/15/57/17/188155717.db2.gz JZLFLPSSNXMIQL-NXEZZACHSA-N 0 1 241.766 2.336 20 0 BEADMN C[C@H]1CO[C@H](c2ccccc2)CN1CCCCO ZINC000170872317 188162221 /nfs/dbraw/zinc/16/22/21/188162221.db2.gz JJIAJDMMJWVIQK-ZFWWWQNUSA-N 0 1 249.354 2.221 20 0 BEADMN Cc1nc(CN[C@H](CO)CC2CCC2)cs1 ZINC000309697640 188169585 /nfs/dbraw/zinc/16/95/85/188169585.db2.gz LLPMWWABKVUNDZ-NSHDSACASA-N 0 1 240.372 2.092 20 0 BEADMN CC(C)(C)c1nnc(CNCC2CC2)s1 ZINC000336745168 188169616 /nfs/dbraw/zinc/16/96/16/188169616.db2.gz AYHLZAMBRXHDIA-UHFFFAOYSA-N 0 1 225.361 2.335 20 0 BEADMN Cc1ccc(F)c(NC(=O)c2ncccc2O)c1 ZINC000037760633 358476953 /nfs/dbraw/zinc/47/69/53/358476953.db2.gz YTHDXBGLPIULEM-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(=O)c1c(C)cc(C)c(CN(C)CCO)c1C ZINC000267886703 188196079 /nfs/dbraw/zinc/19/60/79/188196079.db2.gz GOVKDOHWMCXYRS-UHFFFAOYSA-N 0 1 249.354 2.239 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCN(CC)CC1)CC ZINC000268741511 188197869 /nfs/dbraw/zinc/19/78/69/188197869.db2.gz QGHAQCDNBLRXBH-HRRRRBOVSA-N 0 1 236.359 2.063 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C2CCC2)c1 ZINC000272097096 188199017 /nfs/dbraw/zinc/19/90/17/188199017.db2.gz MADBOSNKALSAFU-UHFFFAOYSA-N 0 1 233.267 2.333 20 0 BEADMN CC(C)COCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000337448503 188186419 /nfs/dbraw/zinc/18/64/19/188186419.db2.gz DCPPWTUNIYQJLA-RWMBFGLXSA-N 0 1 229.364 2.157 20 0 BEADMN CC(C)COCCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000337448503 188186421 /nfs/dbraw/zinc/18/64/21/188186421.db2.gz DCPPWTUNIYQJLA-RWMBFGLXSA-N 0 1 229.364 2.157 20 0 BEADMN CC(C)C[C@@H](N)c1noc(Cc2cccnc2)n1 ZINC000339356218 188190602 /nfs/dbraw/zinc/19/06/02/188190602.db2.gz AXLDJXIZDDLILL-LLVKDONJSA-N 0 1 246.314 2.101 20 0 BEADMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H]1C ZINC000339584183 188192445 /nfs/dbraw/zinc/19/24/45/188192445.db2.gz YWKAKEOMJGWEPG-NDBYEHHHSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CCCOC2)n1 ZINC000339395186 188192455 /nfs/dbraw/zinc/19/24/55/188192455.db2.gz KWIRQACCQSYUAY-ZJUUUORDSA-N 0 1 239.319 2.010 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2CCCOC2)n1 ZINC000339395184 188192501 /nfs/dbraw/zinc/19/25/01/188192501.db2.gz KWIRQACCQSYUAY-VHSXEESVSA-N 0 1 239.319 2.010 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC[C@H](C)C1 ZINC000294899433 188214257 /nfs/dbraw/zinc/21/42/57/188214257.db2.gz ZASCXJBOJXJZGE-SMDDNHRTSA-N 0 1 246.354 2.253 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N[C@H](C)c1nnc[nH]1 ZINC000295132455 188214275 /nfs/dbraw/zinc/21/42/75/188214275.db2.gz JYABDHDBBDCKDO-RKDXNWHRSA-N 0 1 240.307 2.027 20 0 BEADMN CC(=O)c1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000297610148 188214946 /nfs/dbraw/zinc/21/49/46/188214946.db2.gz VNHHIQFQODZHKK-AWEZNQCLSA-N 0 1 233.311 2.110 20 0 BEADMN CC(C)N1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000340663316 188216135 /nfs/dbraw/zinc/21/61/35/188216135.db2.gz VBNBEXUDYAGKFU-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CCc1nc(S[C@H](C)C(F)(F)F)n[nH]1 ZINC000134588566 538113577 /nfs/dbraw/zinc/11/35/77/538113577.db2.gz TVNJNRDQTJVYJI-SCSAIBSYSA-N 0 1 225.239 2.410 20 0 BEADMN CCc1n[nH]c(S[C@H](C)C(F)(F)F)n1 ZINC000134588566 538113578 /nfs/dbraw/zinc/11/35/78/538113578.db2.gz TVNJNRDQTJVYJI-SCSAIBSYSA-N 0 1 225.239 2.410 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000330375663 188218406 /nfs/dbraw/zinc/21/84/06/188218406.db2.gz CXHUAGYHWCKONV-TUAOUCFPSA-N 0 1 242.363 2.293 20 0 BEADMN c1[nH]nc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000278104402 188204303 /nfs/dbraw/zinc/20/43/03/188204303.db2.gz ANSWAGQQVUWPGO-NWDGAFQWSA-N 0 1 233.315 2.069 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2ccno2)CC1 ZINC000280347969 188204796 /nfs/dbraw/zinc/20/47/96/188204796.db2.gz IULUJVVWNGSMER-GFCCVEGCSA-N 0 1 224.304 2.066 20 0 BEADMN CC(C)[C@H](O)CN1CCC[C@H]1c1nccs1 ZINC000366598377 188206016 /nfs/dbraw/zinc/20/60/16/188206016.db2.gz BVXVWYFRTPSHMY-WDEREUQCSA-N 0 1 240.372 2.297 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCC=C(C)C2)cn1 ZINC000281806423 188206073 /nfs/dbraw/zinc/20/60/73/188206073.db2.gz NFUREDZQUDUSCH-UHFFFAOYSA-N 0 1 203.289 2.136 20 0 BEADMN C=Cn1cc(CN2CCC=C(C)C2)cn1 ZINC000281806423 188206074 /nfs/dbraw/zinc/20/60/74/188206074.db2.gz NFUREDZQUDUSCH-UHFFFAOYSA-N 0 1 203.289 2.136 20 0 BEADMN CCC[C@H](CC)NC(=O)c1cnccc1N(C)C ZINC000291461404 188211689 /nfs/dbraw/zinc/21/16/89/188211689.db2.gz IGLNWTJVUKRHRA-NSHDSACASA-N 0 1 249.358 2.456 20 0 BEADMN CC(C)(C)[C@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000336460119 188230379 /nfs/dbraw/zinc/23/03/79/188230379.db2.gz IOYWOGRHGYMNTP-QWHCGFSZSA-N 0 1 241.375 2.302 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@@H]2C)cc1O ZINC000336570218 188231385 /nfs/dbraw/zinc/23/13/85/188231385.db2.gz HAKXJVPOCWNCHT-AOOOYVTPSA-N 0 1 221.300 2.384 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@@H]2C)cn1 ZINC000336567611 188231540 /nfs/dbraw/zinc/23/15/40/188231540.db2.gz SILPURFFAOMWIK-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)n[nH]1 ZINC000336606122 188232517 /nfs/dbraw/zinc/23/25/17/188232517.db2.gz HDDJJACAKUQKMC-AOOOYVTPSA-N 0 1 248.374 2.190 20 0 BEADMN FCC1CCN(Cc2cncc(F)c2)CC1 ZINC000294953626 180921323 /nfs/dbraw/zinc/92/13/23/180921323.db2.gz DHDNYMOBAWEPGR-UHFFFAOYSA-N 0 1 226.270 2.402 20 0 BEADMN CC(C)(O)C(C)(C)NCc1ncc(C2CC2)o1 ZINC000331773072 188226306 /nfs/dbraw/zinc/22/63/06/188226306.db2.gz NPTQXYAEZLNGHR-UHFFFAOYSA-N 0 1 238.331 2.191 20 0 BEADMN Cc1cnc(CNCC[C@H]2CCO[C@@H](C)C2)o1 ZINC000639038020 353310925 /nfs/dbraw/zinc/31/09/25/353310925.db2.gz JTZJCAIMLUFIKJ-JQWIXIFHSA-N 0 1 238.331 2.278 20 0 BEADMN CO[C@H](CNCc1ccno1)Cc1ccccc1 ZINC000639040994 353319314 /nfs/dbraw/zinc/31/93/14/353319314.db2.gz FUKWEIYIRHZXDX-AWEZNQCLSA-N 0 1 246.310 2.022 20 0 BEADMN Cc1cc(CN2CC[C@H](O)C(C)(C)C2)sn1 ZINC000639086405 353426979 /nfs/dbraw/zinc/42/69/79/353426979.db2.gz UTVKNMNPCLMSKC-NSHDSACASA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@]1(C)C[N@@H+](CCC[C@H]2CCO2)CCO1 ZINC000639089182 353447326 /nfs/dbraw/zinc/44/73/26/353447326.db2.gz CQVCWYUISRQSAT-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN CC(C)CC(CC(C)C)[NH2+]Cc1cnn[n-]1 ZINC000398388116 363229399 /nfs/dbraw/zinc/22/93/99/363229399.db2.gz JNRCKGFJNYAWIY-UHFFFAOYSA-N 0 1 224.352 2.355 20 0 BEADMN CCc1cnc(CN[C@@H](CO)C(C)(C)C)s1 ZINC000336777304 353489742 /nfs/dbraw/zinc/48/97/42/353489742.db2.gz IATUIRSHZLSZRJ-JTQLQIEISA-N 0 1 242.388 2.202 20 0 BEADMN COc1cc(CNC2CC(F)(F)C2)sn1 ZINC000639102926 353574225 /nfs/dbraw/zinc/57/42/25/353574225.db2.gz GGROHFKJVFLTMM-UHFFFAOYSA-N 0 1 234.271 2.039 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000194172684 353626784 /nfs/dbraw/zinc/62/67/84/353626784.db2.gz KTUJITYCKBRKLA-DTWKUNHWSA-N 0 1 246.314 2.122 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000194172671 353626837 /nfs/dbraw/zinc/62/68/37/353626837.db2.gz KTUJITYCKBRKLA-RKDXNWHRSA-N 0 1 246.314 2.122 20 0 BEADMN OC[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000194368101 353649301 /nfs/dbraw/zinc/64/93/01/353649301.db2.gz GWQKLGWQAAMDGW-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN Cc1cc(CN[C@@H]2CC23CCCC3)no1 ZINC000334515568 353610545 /nfs/dbraw/zinc/61/05/45/353610545.db2.gz LZLKXKHICHHFPR-LLVKDONJSA-N 0 1 206.289 2.405 20 0 BEADMN CCC(CC)CN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000353804529 353661185 /nfs/dbraw/zinc/66/11/85/353661185.db2.gz MYIWFHSGRNJZAP-HFAKWTLXSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1ccc(CN2C[C@@H](O)C(C)(C)C2)c(F)c1 ZINC000639115495 353731527 /nfs/dbraw/zinc/73/15/27/353731527.db2.gz BLXPVLYJSBNMMU-CYBMUJFWSA-N 0 1 237.318 2.337 20 0 BEADMN Fc1ccccc1CCN1CCN(C2CC2)CC1 ZINC000121318173 181011861 /nfs/dbraw/zinc/01/18/61/181011861.db2.gz ROEHDLDEXCRPIV-UHFFFAOYSA-N 0 1 248.345 2.148 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@@H](c1nccn1C)C1CC1 ZINC000639120163 353767166 /nfs/dbraw/zinc/76/71/66/353767166.db2.gz GANADAMYMKXWAS-JFGNBEQYSA-N 0 1 219.332 2.354 20 0 BEADMN Fc1cccc2c1OCCN(CC1CC1)C2 ZINC000375915510 181007369 /nfs/dbraw/zinc/00/73/69/181007369.db2.gz DRURZRVRRJNBRR-UHFFFAOYSA-N 0 1 221.275 2.430 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccns2)C1 ZINC000639117854 353743944 /nfs/dbraw/zinc/74/39/44/353743944.db2.gz LKMQEEJZUYTGEO-NSHDSACASA-N 0 1 226.345 2.144 20 0 BEADMN Cc1nc2c(n1CCOCC(F)F)CCCC2 ZINC000577931239 366107494 /nfs/dbraw/zinc/10/74/94/366107494.db2.gz YGQSAMFQQFLKFW-UHFFFAOYSA-N 0 1 244.285 2.352 20 0 BEADMN CC(C)[N@@H+](Cc1cnc(N(C)C)nc1)C1CCC1 ZINC000353822482 353806294 /nfs/dbraw/zinc/80/62/94/353806294.db2.gz WRCYKCWNJNHCNI-UHFFFAOYSA-N 0 1 248.374 2.306 20 0 BEADMN c1coc(CN[C@@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343400365 353877839 /nfs/dbraw/zinc/87/78/39/353877839.db2.gz ZQITXMVJEYUYSN-KGLIPLIRSA-N 0 1 244.294 2.294 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)ns2)CCCO1 ZINC000639134797 353844168 /nfs/dbraw/zinc/84/41/68/353844168.db2.gz FVFSZZAPLBTHLC-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CO[C@@H]1CCN(Cc2ccns2)[C@H](C)C1 ZINC000639136531 353845843 /nfs/dbraw/zinc/84/58/43/353845843.db2.gz NNONHKNACBPHTF-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN COCC1(NCc2nc3ccccc3o2)CCC1 ZINC000639150703 353854129 /nfs/dbraw/zinc/85/41/29/353854129.db2.gz YCUCIEMOJBCREI-UHFFFAOYSA-N 0 1 246.310 2.487 20 0 BEADMN CC(C)(O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000343626522 353947582 /nfs/dbraw/zinc/94/75/82/353947582.db2.gz QYTJYLHQURUKHH-UHFFFAOYSA-N 0 1 249.339 2.335 20 0 BEADMN C[S@](=O)c1ccc(CNCc2ccoc2)cc1 ZINC000343698509 353966540 /nfs/dbraw/zinc/96/65/40/353966540.db2.gz WSFZOUQPOFDKLG-KRWDZBQOSA-N 0 1 249.335 2.307 20 0 BEADMN CSCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178519718 366132844 /nfs/dbraw/zinc/13/28/44/366132844.db2.gz OLONKPBNZLPQBZ-SNVBAGLBSA-N 0 1 245.388 2.013 20 0 BEADMN CCN(C(=O)c1cnc(C2CC2)[nH]1)C(C)C ZINC000343655160 353954907 /nfs/dbraw/zinc/95/49/07/353954907.db2.gz NGPCRXHTHFSUOY-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN Cc1nc([C@@H](C)N2CCc3ccsc3C2)n[nH]1 ZINC000334553675 353996609 /nfs/dbraw/zinc/99/66/09/353996609.db2.gz JFUUJDSWNNLWKZ-MRVPVSSYSA-N 0 1 248.355 2.294 20 0 BEADMN c1[nH]nc2c1CN([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000334554712 353998631 /nfs/dbraw/zinc/99/86/31/353998631.db2.gz MSFYXVHGBQLSSF-ZFWWWQNUSA-N 0 1 239.322 2.324 20 0 BEADMN CC[C@@]1(C)CCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000334557186 354003306 /nfs/dbraw/zinc/00/33/06/354003306.db2.gz LNNKLUJSKGHLLY-CABZTGNLSA-N 0 1 222.336 2.296 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@H](C(C)C)C2)[nH]1 ZINC000334556849 354003373 /nfs/dbraw/zinc/00/33/73/354003373.db2.gz WPLJIUWUIUNZLP-KOLCDFICSA-N 0 1 222.336 2.152 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000343969260 354076737 /nfs/dbraw/zinc/07/67/37/354076737.db2.gz VDSAWWIDKARXAM-ONGXEEELSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2csnn2)C1 ZINC000230406859 363307583 /nfs/dbraw/zinc/30/75/83/363307583.db2.gz PZTQPJDZTWVXCX-DTWKUNHWSA-N 0 1 211.334 2.064 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C3CC3)C2)o1 ZINC000344024937 354086181 /nfs/dbraw/zinc/08/61/81/354086181.db2.gz XCJMCNQWWYCHNG-GXSJLCMTSA-N 0 1 235.331 2.425 20 0 BEADMN CCC(CC)N(CC)Cc1nc(N(C)C)no1 ZINC000344028289 354090394 /nfs/dbraw/zinc/09/03/94/354090394.db2.gz MUPXHKUVFCBVAT-UHFFFAOYSA-N 0 1 240.351 2.146 20 0 BEADMN C=Cn1cc(CN2C[C@H](C)S[C@@H](C)C2)cn1 ZINC000334570229 354097836 /nfs/dbraw/zinc/09/78/36/354097836.db2.gz IOPVWBSDYRDVJX-QWRGUYRKSA-N 0 1 237.372 2.309 20 0 BEADMN CCOC(=O)[C@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344039090 354101523 /nfs/dbraw/zinc/10/15/23/354101523.db2.gz SXLLYMWJHNCHFC-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H]1CCCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000334561993 354116421 /nfs/dbraw/zinc/11/64/21/354116421.db2.gz SLCGQZDXNSLRIZ-KOLCDFICSA-N 0 1 222.336 2.296 20 0 BEADMN COC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000038078075 358482738 /nfs/dbraw/zinc/48/27/38/358482738.db2.gz QXDOYILIBXXCSY-UHFFFAOYSA-N 0 1 246.266 2.180 20 0 BEADMN CC[C@@H](COC)N[C@H]1COc2ccc(F)cc21 ZINC000344099186 354140467 /nfs/dbraw/zinc/14/04/67/354140467.db2.gz KLCTUTCECPHRTO-JQWIXIFHSA-N 0 1 239.290 2.274 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000055483451 1172171186 /nfs/dbraw/zinc/17/11/86/1172171186.db2.gz GCSBROLLCPBNSE-JTQLQIEISA-N 0 1 215.337 2.304 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000344220894 354182098 /nfs/dbraw/zinc/18/20/98/354182098.db2.gz CRZZSHVTVFVUMI-AWEZNQCLSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000344256092 354191533 /nfs/dbraw/zinc/19/15/33/354191533.db2.gz VSFARCCRDQQRDO-WDEREUQCSA-N 0 1 249.358 2.065 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCCC3)no2)CC1(F)F ZINC000334587865 354213495 /nfs/dbraw/zinc/21/34/95/354213495.db2.gz QSCOGDJPJMSYER-VIFPVBQESA-N 0 1 243.257 2.094 20 0 BEADMN CC(C)(CNCc1cc[nH]n1)Oc1ccccc1 ZINC000344456011 354263322 /nfs/dbraw/zinc/26/33/22/354263322.db2.gz ZUNIQKJJIKAJHH-UHFFFAOYSA-N 0 1 245.326 2.357 20 0 BEADMN CCCN(CC)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623181179 354264361 /nfs/dbraw/zinc/26/43/61/354264361.db2.gz QFWUZFFIPFIPBR-JQWIXIFHSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@H]1c2cccn2CCN1CC[C@@H]1CCOC1 ZINC000334596810 354230881 /nfs/dbraw/zinc/23/08/81/354230881.db2.gz YSCSXGOMVMFZMG-QWHCGFSZSA-N 0 1 234.343 2.291 20 0 BEADMN Oc1cccc(CN2CC3(C2)CCCOC3)c1 ZINC000334597857 354231835 /nfs/dbraw/zinc/23/18/35/354231835.db2.gz CPZVSIFMMJRSGN-UHFFFAOYSA-N 0 1 233.311 2.005 20 0 BEADMN COc1cccc(CN2CC3(C2)CCCOC3)c1 ZINC000334597914 354231995 /nfs/dbraw/zinc/23/19/95/354231995.db2.gz DVSBJNIMWMCMOF-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)nn2C)CCS1 ZINC000334610857 354293646 /nfs/dbraw/zinc/29/36/46/354293646.db2.gz JKFZCZGGCMHXNA-LBPRGKRZSA-N 0 1 239.388 2.056 20 0 BEADMN CCn1cncc1CN1CCS[C@@H](C)[C@H]1C ZINC000334611860 354295207 /nfs/dbraw/zinc/29/52/07/354295207.db2.gz UMIBRJZLGFQNAN-MNOVXSKESA-N 0 1 239.388 2.229 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)c1cnc[nH]1 ZINC000334615162 354301171 /nfs/dbraw/zinc/30/11/71/354301171.db2.gz HNGRZLOEPLNBLE-JTQLQIEISA-N 0 1 221.304 2.205 20 0 BEADMN Cc1ccc2nc(CNC(=O)NC(C)C)[nH]c2c1 ZINC000334606451 354313170 /nfs/dbraw/zinc/31/31/70/354313170.db2.gz JTPGBIUPLUDOTD-UHFFFAOYSA-N 0 1 246.314 2.079 20 0 BEADMN C[C@H]1CC[S@@](=O)CCN1CC1(C)CCC1 ZINC000334619849 354308620 /nfs/dbraw/zinc/30/86/20/354308620.db2.gz OOHMDYMWTVCGCD-XHDPSFHLSA-N 0 1 229.389 2.020 20 0 BEADMN OCC[C@H](NCc1ccccn1)c1ccccc1 ZINC000344444701 354275140 /nfs/dbraw/zinc/27/51/40/354275140.db2.gz WCPQWXJDIBHCKH-HNNXBMFYSA-N 0 1 242.322 2.295 20 0 BEADMN CCn1cncc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000334601443 354280257 /nfs/dbraw/zinc/28/02/57/354280257.db2.gz WYSZVRBOFFEXIF-PHIMTYICSA-N 0 1 239.388 2.229 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@H+](Cc2c[nH]nn2)C1 ZINC000334620390 354357388 /nfs/dbraw/zinc/35/73/88/354357388.db2.gz RHJGQCYVHGUAPO-SNVBAGLBSA-N 0 1 222.336 2.063 20 0 BEADMN CCc1ncc(CN2CC(C)=C[C@H](C)C2)cn1 ZINC000334609007 354316191 /nfs/dbraw/zinc/31/61/91/354316191.db2.gz IGYLHBCSEHMALH-NSHDSACASA-N 0 1 231.343 2.437 20 0 BEADMN COc1ccc(CNCc2cc[nH]c2)c(F)c1 ZINC000344634997 354318342 /nfs/dbraw/zinc/31/83/42/354318342.db2.gz DQADXLPZPULTKM-UHFFFAOYSA-N 0 1 234.274 2.452 20 0 BEADMN FC1(F)CCC[C@H]1NCCC[C@@H]1CCO1 ZINC000639182981 354341165 /nfs/dbraw/zinc/34/11/65/354341165.db2.gz NWDHAUXIDNOSNH-NXEZZACHSA-N 0 1 219.275 2.333 20 0 BEADMN CC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000577985645 366160161 /nfs/dbraw/zinc/16/01/61/366160161.db2.gz DTNVTHZAGABTLW-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC[N@@H+](Cc1ncccc1[O-])CC1CC1 ZINC000577985705 366160456 /nfs/dbraw/zinc/16/04/56/366160456.db2.gz HETJDGMPJVVYDQ-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC[N@H+](Cc1ncccc1[O-])CC1CC1 ZINC000577985705 366160459 /nfs/dbraw/zinc/16/04/59/366160459.db2.gz HETJDGMPJVVYDQ-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC(C)[C@H](CO)CNCc1nc2ccccc2o1 ZINC000639184769 354361310 /nfs/dbraw/zinc/36/13/10/354361310.db2.gz DKYQWLVZOWICPK-NSHDSACASA-N 0 1 248.326 2.182 20 0 BEADMN Cn1ncc2c1CCCN([C@@H]1C=CCCC1)C2 ZINC000334647286 354438005 /nfs/dbraw/zinc/43/80/05/354438005.db2.gz QHZZEHGWWJZURO-CYBMUJFWSA-N 0 1 231.343 2.277 20 0 BEADMN CC1(C)CCN(Cc2cnccn2)CCS1 ZINC000334644196 354401932 /nfs/dbraw/zinc/40/19/32/354401932.db2.gz GPXBBEIWIVGUKY-UHFFFAOYSA-N 0 1 237.372 2.194 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H](C)[C@H]1C ZINC000334668484 354407903 /nfs/dbraw/zinc/40/79/03/354407903.db2.gz AHFFSLHAMFLZOV-GHMZBOCLSA-N 0 1 222.336 2.089 20 0 BEADMN Cc1cnc(CN2CCSC[C@@H]2C2CC2)cn1 ZINC000334679272 354424352 /nfs/dbraw/zinc/42/43/52/354424352.db2.gz NHYMZVCWFLUXFV-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN CC(C)[C@@H]1N(Cc2cnnn2C)CC12CCCC2 ZINC000334746269 354470605 /nfs/dbraw/zinc/47/06/05/354470605.db2.gz DDSONXRAUYOEKR-ZDUSSCGKSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000334747520 354472673 /nfs/dbraw/zinc/47/26/73/354472673.db2.gz ZBCABICDHBSLLD-BETUJISGSA-N 0 1 248.374 2.481 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC000334738552 354540568 /nfs/dbraw/zinc/54/05/68/354540568.db2.gz NTMFUVPCLTWQRF-TZMCWYRMSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000334738364 354540581 /nfs/dbraw/zinc/54/05/81/354540581.db2.gz JWQPVGHKFKWOEK-GWCFXTLKSA-N 0 1 223.316 2.445 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1C ZINC000334738326 354541290 /nfs/dbraw/zinc/54/12/90/354541290.db2.gz JGGJKCHQCRYUHL-SMDDNHRTSA-N 0 1 234.343 2.247 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1C ZINC000334738323 354541468 /nfs/dbraw/zinc/54/14/68/354541468.db2.gz JGGJKCHQCRYUHL-BXUZGUMPSA-N 0 1 234.343 2.247 20 0 BEADMN C[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)[C@H]1C ZINC000334707133 354500646 /nfs/dbraw/zinc/50/06/46/354500646.db2.gz YJEKFPPIFWIMKS-ZJUUUORDSA-N 0 1 227.739 2.267 20 0 BEADMN CN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CC1(C)C ZINC000334711003 354507447 /nfs/dbraw/zinc/50/74/47/354507447.db2.gz YKZWUXIKKCAIMZ-LLVKDONJSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCCC2(CCCC2)C1 ZINC000334713812 354511230 /nfs/dbraw/zinc/51/12/30/354511230.db2.gz BUKGCJLBMMJQEM-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CCCC1(C(=O)N2CCCN(C)CC2)CCC1 ZINC000335931267 134010866 /nfs/dbraw/zinc/01/08/66/134010866.db2.gz UWVYZCCNZKOLNB-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC1(C)COC[C@@H]1NCc1nc2ccccc2o1 ZINC000334806997 354563197 /nfs/dbraw/zinc/56/31/97/354563197.db2.gz HYAQEDJFGOTVCS-LBPRGKRZSA-N 0 1 246.310 2.342 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)C1CC(C)(C)C1 ZINC000334815094 354572863 /nfs/dbraw/zinc/57/28/63/354572863.db2.gz NCBNUNQXQFAFGO-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000639192845 354584696 /nfs/dbraw/zinc/58/46/96/354584696.db2.gz DYVPKIKXLCQWGU-RKDXNWHRSA-N 0 1 224.304 2.065 20 0 BEADMN CN(Cc1ccc(F)cn1)[C@@H]1CC1(C)C ZINC000334763901 354585007 /nfs/dbraw/zinc/58/50/07/354585007.db2.gz JZUNOQFPBJXYSX-LLVKDONJSA-N 0 1 208.280 2.451 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C2=CCCC2)CC1 ZINC000334765623 354586842 /nfs/dbraw/zinc/58/68/42/354586842.db2.gz JLILUNMEXNCGOY-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)[nH]1 ZINC000334744226 354547412 /nfs/dbraw/zinc/54/74/12/354547412.db2.gz RCHNWOIMSWTQBN-AAEUAGOBSA-N 0 1 249.358 2.471 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1=CCCC1 ZINC000334796001 354550113 /nfs/dbraw/zinc/55/01/13/354550113.db2.gz XBAOSRYTOOWBNA-LLVKDONJSA-N 0 1 231.299 2.014 20 0 BEADMN CC(C)(O)CN1CCc2cccc(Cl)c2C1 ZINC000334796141 354550340 /nfs/dbraw/zinc/55/03/40/354550340.db2.gz AMGGJYUBNHGSLI-UHFFFAOYSA-N 0 1 239.746 2.469 20 0 BEADMN CC(C)(C)C[C@H]1CCN(C(=O)c2cnc[nH]2)C1 ZINC000335094367 354632455 /nfs/dbraw/zinc/63/24/55/354632455.db2.gz JBGVMLNYGZQDPA-SNVBAGLBSA-N 0 1 235.331 2.308 20 0 BEADMN Cc1ccoc1CN1CCC[C@H](n2ccnn2)C1 ZINC000335098552 354638870 /nfs/dbraw/zinc/63/88/70/354638870.db2.gz HECURVXLBMHOOH-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)(C)C1CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000335099430 354640324 /nfs/dbraw/zinc/64/03/24/354640324.db2.gz JFJBACMNYIMDSE-UHFFFAOYSA-N 0 1 249.358 2.192 20 0 BEADMN CCCN1CCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000349767723 366226764 /nfs/dbraw/zinc/22/67/64/366226764.db2.gz YQHLJPWIQISNBY-VIFPVBQESA-N 0 1 247.302 2.007 20 0 BEADMN CCCN1CCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000349767722 366226912 /nfs/dbraw/zinc/22/69/12/366226912.db2.gz YQHLJPWIQISNBY-SECBINFHSA-N 0 1 247.302 2.007 20 0 BEADMN C[C@@H](NCc1ccns1)c1cc[nH]c(=O)c1 ZINC000639205558 354658059 /nfs/dbraw/zinc/65/80/59/354658059.db2.gz KRRNIOFBTOGSEI-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN CC[C@@H]1CCN1[C@H](c1nccn1C)C1CC1 ZINC000639202771 354607310 /nfs/dbraw/zinc/60/73/10/354607310.db2.gz KDDMWNYXOONOCG-NEPJUHHUSA-N 0 1 219.332 2.356 20 0 BEADMN CC[C@H]1CCN1[C@H](c1nccn1C)C1CC1 ZINC000639202774 354607662 /nfs/dbraw/zinc/60/76/62/354607662.db2.gz KDDMWNYXOONOCG-RYUDHWBXSA-N 0 1 219.332 2.356 20 0 BEADMN CC[C@H]1CCN1Cc1c2c(nn1C)CCCC2 ZINC000639202947 354608784 /nfs/dbraw/zinc/60/87/84/354608784.db2.gz NZRCNVICSKWQAQ-NSHDSACASA-N 0 1 233.359 2.283 20 0 BEADMN C[C@H]1CN(C(=O)c2cc3[nH]cnc3cc2F)[C@H]1C ZINC000335108293 354694324 /nfs/dbraw/zinc/69/43/24/354694324.db2.gz FSVGGGUASJBLEQ-YUMQZZPRSA-N 0 1 247.273 2.182 20 0 BEADMN CC(C)n1cncc1CN1[C@@H](C)C[C@@H]1C ZINC000335116963 354707060 /nfs/dbraw/zinc/70/70/60/354707060.db2.gz WRCOUSODXLANQS-QWRGUYRKSA-N 0 1 207.321 2.447 20 0 BEADMN c1nc(NCCC2CCOCC2)cc2c1CCC2 ZINC000639211475 354746836 /nfs/dbraw/zinc/74/68/36/354746836.db2.gz PALWGCMGJPJIBZ-UHFFFAOYSA-N 0 1 246.354 2.221 20 0 BEADMN CCc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1 ZINC000345706845 354755099 /nfs/dbraw/zinc/75/50/99/354755099.db2.gz FRRMYMHXWSCYRQ-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN COC(=O)[C@@H](C)[C@H](NCCF)c1ccccc1 ZINC000345764315 354756824 /nfs/dbraw/zinc/75/68/24/354756824.db2.gz FEUHXYUPWPFMMQ-JQWIXIFHSA-N 0 1 239.290 2.096 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC(C)(C)C)C[C@H]1C ZINC000345942946 354815920 /nfs/dbraw/zinc/81/59/20/354815920.db2.gz FHRXTMSSORRNHB-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1COCCN1Cc1cccc2ncccc12 ZINC000639218463 354869504 /nfs/dbraw/zinc/86/95/04/354869504.db2.gz NOIVPYLEQFFUEQ-LBPRGKRZSA-N 0 1 242.322 2.456 20 0 BEADMN CCCCOCCN[C@@H](CCO)c1ccco1 ZINC000346211070 354876842 /nfs/dbraw/zinc/87/68/42/354876842.db2.gz YJULPUNSFLGURV-LBPRGKRZSA-N 0 1 241.331 2.109 20 0 BEADMN COCC(C)(C)N(C)Cc1cc(C)ns1 ZINC000639219264 354877025 /nfs/dbraw/zinc/87/70/25/354877025.db2.gz GILHHPOKHUBIAB-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN CC(C)n1cncc1CN1CCCO[C@@H](C)C1 ZINC000335146550 354858192 /nfs/dbraw/zinc/85/81/92/354858192.db2.gz KNMBBLAWSIRMQZ-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC(F)(F)F)[C@@H]1C(=O)[O-] ZINC000235287025 363440868 /nfs/dbraw/zinc/44/08/68/363440868.db2.gz DMVMTKWXVCCQRI-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CN(CC1CCCC1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000346316028 354893759 /nfs/dbraw/zinc/89/37/59/354893759.db2.gz VSJXYEMWBMOWNY-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN Cc1c(Cl)c(CN[C@H]2CC[C@H]2C)nn1C ZINC000335172782 354938384 /nfs/dbraw/zinc/93/83/84/354938384.db2.gz BFESEKPRQIAPSB-APPZFPTMSA-N 0 1 227.739 2.270 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c(C)n1 ZINC000335178837 354964539 /nfs/dbraw/zinc/96/45/39/354964539.db2.gz LOQZICMTLOQBQD-DZGCQCFKSA-N 0 1 248.370 2.291 20 0 BEADMN Cc1csc(CN2CCC[C@@H](CO)[C@@H]2C)n1 ZINC000335178619 354964803 /nfs/dbraw/zinc/96/48/03/354964803.db2.gz MUMOREBPWSPKGL-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CC1CC(C)(C)C1 ZINC000346565084 354970195 /nfs/dbraw/zinc/97/01/95/354970195.db2.gz ZFNFDWCFQVNMIQ-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000346526465 354976238 /nfs/dbraw/zinc/97/62/38/354976238.db2.gz MKRGNJYDWQIWPC-STQMWFEESA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cccc(C[NH+]=c2[n-]nc3ccccn32)c1 ZINC000346535865 354980258 /nfs/dbraw/zinc/98/02/58/354980258.db2.gz WTGRSZOCIKMTMP-UHFFFAOYSA-N 0 1 238.294 2.072 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1csc(C)n1 ZINC000449754959 202022029 /nfs/dbraw/zinc/02/20/29/202022029.db2.gz LCWGTCGIGUPSBO-VXGBXAGGSA-N 0 1 240.372 2.499 20 0 BEADMN c1cc(C[N@H+]2CCSC[C@H]2C2CCC2)on1 ZINC000335197143 355030363 /nfs/dbraw/zinc/03/03/63/355030363.db2.gz STKRNXDUVRKYOC-LBPRGKRZSA-N 0 1 238.356 2.392 20 0 BEADMN c1cc(CN2CCSC[C@H]2C2CCC2)on1 ZINC000335197143 355030366 /nfs/dbraw/zinc/03/03/66/355030366.db2.gz STKRNXDUVRKYOC-LBPRGKRZSA-N 0 1 238.356 2.392 20 0 BEADMN CC(C)N1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000335199320 355032443 /nfs/dbraw/zinc/03/24/43/355032443.db2.gz GCYNUBHZWSMTGW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1ncc(C[N@@H+]2CC(C)(C)C[C@@H]2C)cn1 ZINC000335189803 355021434 /nfs/dbraw/zinc/02/14/34/355021434.db2.gz LFTHRNLZUARUIF-JTQLQIEISA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1cn2cccnc2n1 ZINC000335194935 355028461 /nfs/dbraw/zinc/02/84/61/355028461.db2.gz PQRRDRBDMOFUSD-LLVKDONJSA-N 0 1 244.342 2.350 20 0 BEADMN CC[C@](C)(CNCc1cc(C2CC2)no1)OC ZINC000639226100 355076922 /nfs/dbraw/zinc/07/69/22/355076922.db2.gz CFQIRHGTLBGXLJ-CYBMUJFWSA-N 0 1 238.331 2.457 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CCSCC[C@H]1C ZINC000335181650 355078594 /nfs/dbraw/zinc/07/85/94/355078594.db2.gz DBFGVDPDHPOIJX-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN Cc1c[nH]nc1CN1CCSCC[C@H]1C ZINC000335181650 355078601 /nfs/dbraw/zinc/07/86/01/355078601.db2.gz DBFGVDPDHPOIJX-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN C[C@H]1c2cccn2CCN1CCC1(O)CCC1 ZINC000335183376 355081922 /nfs/dbraw/zinc/08/19/22/355081922.db2.gz CARIKGCRBLGNCG-LBPRGKRZSA-N 0 1 234.343 2.170 20 0 BEADMN CCC(CC)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000346765316 355112524 /nfs/dbraw/zinc/11/25/24/355112524.db2.gz GUQGSASIRMWNND-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCC1(CC)CN(CCCCF)CC[S@]1=O ZINC000351993578 134032807 /nfs/dbraw/zinc/03/28/07/134032807.db2.gz JOAWWHMCRGYKAJ-MRXNPFEDSA-N 0 1 249.395 2.359 20 0 BEADMN Cc1ccnc(CN2CCCC23CCC3)n1 ZINC000335235992 355096830 /nfs/dbraw/zinc/09/68/30/355096830.db2.gz LNDQLGOISAUDQE-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1cocn1 ZINC000449759228 202024510 /nfs/dbraw/zinc/02/45/10/202024510.db2.gz IZDJSPUPJKEFAR-VXGBXAGGSA-N 0 1 224.304 2.112 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)CC1(C)C ZINC000346914560 355152703 /nfs/dbraw/zinc/15/27/03/355152703.db2.gz YRUJDBGVBONAAD-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](N[C@H](C)C(=O)NCC)c1ccccn1 ZINC000346978783 355212834 /nfs/dbraw/zinc/21/28/34/355212834.db2.gz CSSZJZCLEWHLPC-DGCLKSJQSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1nnsc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000639232374 355215564 /nfs/dbraw/zinc/21/55/64/355215564.db2.gz HEBIHKKTKFCYBC-DGCLKSJQSA-N 0 1 249.383 2.467 20 0 BEADMN Cc1nc([C@H](C)Sc2nnc(C)s2)n[nH]1 ZINC000412985085 191330231 /nfs/dbraw/zinc/33/02/31/191330231.db2.gz RRSVVHDCDGHMSB-BYPYZUCNSA-N 0 1 241.345 2.126 20 0 BEADMN CCc1nc(SCc2ccncc2F)n[nH]1 ZINC000412984979 191330669 /nfs/dbraw/zinc/33/06/69/191330669.db2.gz DRGBBABMBQWWGF-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1n[nH]c(SCc2ccncc2F)n1 ZINC000412984979 191330671 /nfs/dbraw/zinc/33/06/71/191330671.db2.gz DRGBBABMBQWWGF-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN OC[C@@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000639239263 355222682 /nfs/dbraw/zinc/22/26/82/355222682.db2.gz TUIDZUDYQOKDBV-QWRGUYRKSA-N 0 1 246.310 2.078 20 0 BEADMN COc1cccnc1CN[C@H]1CS[C@H](C)C1 ZINC000639239786 355223625 /nfs/dbraw/zinc/22/36/25/355223625.db2.gz FHJHQLLDPYOQRS-NXEZZACHSA-N 0 1 238.356 2.074 20 0 BEADMN CC[C@@H](C(=O)Nc1ccccc1N(C)C)N(C)C ZINC000413134206 191358947 /nfs/dbraw/zinc/35/89/47/191358947.db2.gz IIJFSLKOENLCHE-LBPRGKRZSA-N 0 1 249.358 2.031 20 0 BEADMN CSCCCSCc1n[nH]c(C)n1 ZINC000413008054 191338572 /nfs/dbraw/zinc/33/85/72/191338572.db2.gz MLMMAUUBLQDMJG-UHFFFAOYSA-N 0 1 217.363 2.099 20 0 BEADMN COc1cc(C)nc(CNCc2ccn(C)c2)c1 ZINC000347636245 355243648 /nfs/dbraw/zinc/24/36/48/355243648.db2.gz QWVYCJIXIJVMBI-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC[C@@H]1CCCN1Cc1cn(C(C)C)nn1 ZINC000347639948 355245190 /nfs/dbraw/zinc/24/51/90/355245190.db2.gz PWMLOIGCNJOFDC-GFCCVEGCSA-N 0 1 222.336 2.233 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347587072 355246954 /nfs/dbraw/zinc/24/69/54/355246954.db2.gz MFXMMCFSUMEHEV-NSHDSACASA-N 0 1 224.352 2.335 20 0 BEADMN CC(C)N(C)Cc1ccn(C(F)F)n1 ZINC000347674613 355262849 /nfs/dbraw/zinc/26/28/49/355262849.db2.gz FTZMESFAERUOAL-UHFFFAOYSA-N 0 1 203.236 2.118 20 0 BEADMN CC(C)n1cc(CN(C)CC2CCC2)nn1 ZINC000347642698 355271852 /nfs/dbraw/zinc/27/18/52/355271852.db2.gz TWVGURJUQWAXCS-UHFFFAOYSA-N 0 1 222.336 2.091 20 0 BEADMN C[C@@H](N[C@H]1CCn2ccnc2C1)c1cscn1 ZINC000335281663 355272668 /nfs/dbraw/zinc/27/26/68/355272668.db2.gz JGQQGIZXNROIIP-ZJUUUORDSA-N 0 1 248.355 2.005 20 0 BEADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000084095109 355288800 /nfs/dbraw/zinc/28/88/00/355288800.db2.gz RDPKTLDMVQBWEZ-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000084095106 355288803 /nfs/dbraw/zinc/28/88/03/355288803.db2.gz RDPKTLDMVQBWEZ-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CCc1ncc(CN[C@H](C)[C@@H]2CC2(F)F)o1 ZINC000639248645 355279088 /nfs/dbraw/zinc/27/90/88/355279088.db2.gz DKFGWPHPVHZQNS-APPZFPTMSA-N 0 1 230.258 2.370 20 0 BEADMN CC[C@@H]1CN(CC)CCN1Cc1ccns1 ZINC000639251051 355281776 /nfs/dbraw/zinc/28/17/76/355281776.db2.gz VRTOXQLJGJCREP-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000394964309 355334291 /nfs/dbraw/zinc/33/42/91/355334291.db2.gz OYKOCXSBBYDPRC-WCABBAIRSA-N 0 1 240.372 2.361 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2nc3ccccc3o2)O1 ZINC000639250429 355283347 /nfs/dbraw/zinc/28/33/47/355283347.db2.gz SMKUSBSQQWSEKJ-MNOVXSKESA-N 0 1 246.310 2.485 20 0 BEADMN CO[C@@H](C)CN1CCO[C@H](C2CCCCC2)C1 ZINC000349236473 355373054 /nfs/dbraw/zinc/37/30/54/355373054.db2.gz HKROXUXDZXIUSF-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000583508977 355346256 /nfs/dbraw/zinc/34/62/56/355346256.db2.gz ZPLFPPMOOCPQMM-MNOVXSKESA-N 0 1 237.347 2.091 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC(F)(F)C2)nn1C ZINC000414383176 191502827 /nfs/dbraw/zinc/50/28/27/191502827.db2.gz SUGWBAAFRJUMCY-SNVBAGLBSA-N 0 1 243.301 2.396 20 0 BEADMN CC[C@](C)(C[N@H+]1CCOC[C@@H]1C1CCC1)OC ZINC000639285573 355391427 /nfs/dbraw/zinc/39/14/27/355391427.db2.gz NLLAYPQIYFRCJB-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)n1ncnc1CN1[C@H](C)CC[C@@H]1C ZINC000335779424 355406920 /nfs/dbraw/zinc/40/69/20/355406920.db2.gz SGTBFSDJLUSDFG-PHIMTYICSA-N 0 1 222.336 2.232 20 0 BEADMN CC(C)N1CCOc2ccc(F)cc2C1 ZINC000335783459 355431299 /nfs/dbraw/zinc/43/12/99/355431299.db2.gz WLGDZYIUTPVIEX-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000335789736 355440871 /nfs/dbraw/zinc/44/08/71/355440871.db2.gz MVBBTXZZWMKWQA-VXGBXAGGSA-N 0 1 238.375 2.260 20 0 BEADMN Cn1ncc(Cl)c1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000335792997 355446192 /nfs/dbraw/zinc/44/61/92/355446192.db2.gz INOBGXFELDUBBX-MWLCHTKSSA-N 0 1 239.750 2.448 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@H]2CCC[C@H]21 ZINC000335792997 355446194 /nfs/dbraw/zinc/44/61/94/355446194.db2.gz INOBGXFELDUBBX-MWLCHTKSSA-N 0 1 239.750 2.448 20 0 BEADMN CC[C@@H](C(C)C)[N@H+]1CCc2n[nH]cc2C1 ZINC000623239231 355395121 /nfs/dbraw/zinc/39/51/21/355395121.db2.gz AKUPKHNQGIYMSG-LBPRGKRZSA-N 0 1 207.321 2.202 20 0 BEADMN CCC(CC)NC(=O)c1ccc(F)cc1O ZINC000093901218 355396419 /nfs/dbraw/zinc/39/64/19/355396419.db2.gz HUUGXRKPPYLENN-UHFFFAOYSA-N 0 1 225.263 2.450 20 0 BEADMN C[C@@H]1N(Cc2ccc(CO)cc2)CCOC1(C)C ZINC000335797904 355454769 /nfs/dbraw/zinc/45/47/69/355454769.db2.gz SCHACSWXFVXMEH-LBPRGKRZSA-N 0 1 249.354 2.178 20 0 BEADMN COc1ccsc1C[N@H+]1CCOC[C@H](C)C1 ZINC000335814926 355503698 /nfs/dbraw/zinc/50/36/98/355503698.db2.gz XXWZRADJJRKIKQ-SNVBAGLBSA-N 0 1 241.356 2.225 20 0 BEADMN COc1ccsc1CN1CCOC[C@H](C)C1 ZINC000335814926 355503699 /nfs/dbraw/zinc/50/36/99/355503699.db2.gz XXWZRADJJRKIKQ-SNVBAGLBSA-N 0 1 241.356 2.225 20 0 BEADMN CCn1ccnc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000335802883 355472748 /nfs/dbraw/zinc/47/27/48/355472748.db2.gz VGROERMOTUFETP-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1CN1C[C@@H](C)C[C@@H]1C ZINC000335802883 355472749 /nfs/dbraw/zinc/47/27/49/355472749.db2.gz VGROERMOTUFETP-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2CCCC2)[C@@H](C)C1 ZINC000335996031 134042318 /nfs/dbraw/zinc/04/23/18/134042318.db2.gz SYZSITRUFZIMBU-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1N(Cc2cccn2C)CCOC1(C)C ZINC000335835504 355562387 /nfs/dbraw/zinc/56/23/87/355562387.db2.gz XOOIDASNXWDWHH-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2ccc3cncn3c2)C1 ZINC000335823967 355545007 /nfs/dbraw/zinc/54/50/07/355545007.db2.gz BHPITVZXFJZICI-PWSUYJOCSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2ccc3cncn3c2)C1 ZINC000335823968 355545197 /nfs/dbraw/zinc/54/51/97/355545197.db2.gz BHPITVZXFJZICI-ZYHUDNBSSA-N 0 1 243.310 2.253 20 0 BEADMN Cc1ccncc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000335826585 355551093 /nfs/dbraw/zinc/55/10/93/355551093.db2.gz XJADMADIHVNZQA-HNNXBMFYSA-N 0 1 247.386 2.162 20 0 BEADMN C[C@H]1CN(C(=O)CCC2CCC2)[C@@H](C)CN1C ZINC000352029804 134045257 /nfs/dbraw/zinc/04/52/57/134045257.db2.gz SLDZIEWYLWNLNU-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000335859903 355605281 /nfs/dbraw/zinc/60/52/81/355605281.db2.gz YGUVKURISXOMIT-GHMZBOCLSA-N 0 1 236.363 2.406 20 0 BEADMN COCc1ccccc1/C=C(\C)C[N@@H+](C)CCO ZINC000350151818 355616846 /nfs/dbraw/zinc/61/68/46/355616846.db2.gz YGXXTXCOONIEFU-JLHYYAGUSA-N 0 1 249.354 2.160 20 0 BEADMN Cc1cnc(CN[C@@H](C)Cc2ccccn2)o1 ZINC000639298949 355613429 /nfs/dbraw/zinc/61/34/29/355613429.db2.gz BVSLPLAJGHRBSZ-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN CC1(CN2CCOC[C@H]2[C@@H]2CCCO2)CCC1 ZINC000335839103 355569152 /nfs/dbraw/zinc/56/91/52/355569152.db2.gz TUQZYVOPUZTIOK-STQMWFEESA-N 0 1 239.359 2.056 20 0 BEADMN CC1CCC(N(C)Cc2ncccn2)CC1 ZINC000335839758 355569707 /nfs/dbraw/zinc/56/97/07/355569707.db2.gz BRBGSWPRMHTHTJ-UHFFFAOYSA-N 0 1 219.332 2.487 20 0 BEADMN COc1cc(C[N@H+]2CCC=C(C)C2)ccn1 ZINC000335873758 355641226 /nfs/dbraw/zinc/64/12/26/355641226.db2.gz ZPULGNXGKCCOMW-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1cc(CN2CCC=C(C)C2)ccn1 ZINC000335873758 355641230 /nfs/dbraw/zinc/64/12/30/355641230.db2.gz ZPULGNXGKCCOMW-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000582186510 355655337 /nfs/dbraw/zinc/65/53/37/355655337.db2.gz FHGMMYHPZWDXDV-WZRBSPASSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)CC(C)(C)C ZINC000350181084 355621126 /nfs/dbraw/zinc/62/11/26/355621126.db2.gz JZSHVSBBASZEHO-SECBINFHSA-N 0 1 237.347 2.407 20 0 BEADMN C[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000335862615 355625915 /nfs/dbraw/zinc/62/59/15/355625915.db2.gz STZQLFXZECTKKR-GHMZBOCLSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335870988 355637210 /nfs/dbraw/zinc/63/72/10/355637210.db2.gz QOEHKSFGWCHBJO-GXSJLCMTSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H]1CCSCC[N@@H+]1Cc1ncccc1[O-] ZINC000583591368 355703862 /nfs/dbraw/zinc/70/38/62/355703862.db2.gz MQEBPCJISGEOFO-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN C[C@H]1CCSCC[N@H+]1Cc1ncccc1[O-] ZINC000583591368 355703863 /nfs/dbraw/zinc/70/38/63/355703863.db2.gz MQEBPCJISGEOFO-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000335890280 355682330 /nfs/dbraw/zinc/68/23/30/355682330.db2.gz WFWSLLNYPDNXBG-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN Cc1scc(CN2CCc3n[nH]nc3C2)c1C ZINC000639332568 355759740 /nfs/dbraw/zinc/75/97/40/355759740.db2.gz NFWSQKMJTPIZRP-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CC(C)OCCNCc1cnc2ccccc2n1 ZINC000160049498 355780851 /nfs/dbraw/zinc/78/08/51/355780851.db2.gz UKGWJVDDFSQWCD-UHFFFAOYSA-N 0 1 245.326 2.144 20 0 BEADMN CC[C@@H]1COCCN1Cc1cccc(N(C)C)c1 ZINC000608497836 355824805 /nfs/dbraw/zinc/82/48/05/355824805.db2.gz HNISITCUJIZMJU-CQSZACIVSA-N 0 1 248.370 2.363 20 0 BEADMN CCC(F)(F)CNCCC[C@@H]1CCO1 ZINC000639350700 355798984 /nfs/dbraw/zinc/79/89/84/355798984.db2.gz MULZMGMBSGRCHG-SECBINFHSA-N 0 1 207.264 2.190 20 0 BEADMN c1c(CN[C@@H]2CO[C@@H](C3CC3)C2)onc1C1CC1 ZINC000639355382 355808946 /nfs/dbraw/zinc/80/89/46/355808946.db2.gz SWWQLEHEXGQHMI-SMDDNHRTSA-N 0 1 248.326 2.209 20 0 BEADMN Cc1nn(C)cc1CN1CC(c2ccccc2)C1 ZINC000639361741 355816417 /nfs/dbraw/zinc/81/64/17/355816417.db2.gz PTHRLICBRHUCEJ-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN CCc1cnc(CN(C)C[C@@H]2CCCOC2)o1 ZINC000608497174 355823735 /nfs/dbraw/zinc/82/37/35/355823735.db2.gz PEERCLHWBXEPFS-NSHDSACASA-N 0 1 238.331 2.095 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC000608501016 355829053 /nfs/dbraw/zinc/82/90/53/355829053.db2.gz GSMLYFGEFVSLON-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cnn(C)c1 ZINC000336055180 134065770 /nfs/dbraw/zinc/06/57/70/134065770.db2.gz PNOUGMKDNMOFCY-WPRPVWTQSA-N 0 1 247.264 2.193 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(C3CC3)no2)[C@@H](C)O1 ZINC000639378202 355911427 /nfs/dbraw/zinc/91/14/27/355911427.db2.gz RWCMYKSAYPPJRL-LNLATYFQSA-N 0 1 236.315 2.208 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccc(C)cn2)C1 ZINC000639379187 355914787 /nfs/dbraw/zinc/91/47/87/355914787.db2.gz FOXQNOUAOCXJJL-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CCc1cccc(CNC2(C)COC2)c1 ZINC000639380708 355918666 /nfs/dbraw/zinc/91/86/66/355918666.db2.gz JSKQKIMBTBEPPG-UHFFFAOYSA-N 0 1 205.301 2.128 20 0 BEADMN Cn1c(CNC2(C)COC2)cc2ccccc21 ZINC000639381292 355919151 /nfs/dbraw/zinc/91/91/51/355919151.db2.gz ULTOQUQNJKWURN-UHFFFAOYSA-N 0 1 230.311 2.057 20 0 BEADMN CC1(NC/C=C\c2ccc(F)c(F)c2)COC1 ZINC000639380648 355919235 /nfs/dbraw/zinc/91/92/35/355919235.db2.gz HTNDIGHPILEASP-IHWYPQMZSA-N 0 1 239.265 2.357 20 0 BEADMN COc1ccccc1/C=C\CNC1(C)COC1 ZINC000639381534 355922547 /nfs/dbraw/zinc/92/25/47/355922547.db2.gz FBQPFLUYMQYFPC-ALCCZGGFSA-N 0 1 233.311 2.087 20 0 BEADMN CC1(NCc2ccc(Cl)cc2)COC1 ZINC000639381798 355923583 /nfs/dbraw/zinc/92/35/83/355923583.db2.gz HVDNCJPDPVVGTN-UHFFFAOYSA-N 0 1 211.692 2.219 20 0 BEADMN Cc1ccc(CNC2(C)COC2)cc1C ZINC000639382008 355925275 /nfs/dbraw/zinc/92/52/75/355925275.db2.gz KSNNPQDMLSVFMF-UHFFFAOYSA-N 0 1 205.301 2.182 20 0 BEADMN Cc1ccccc1CSc1cn[nH]n1 ZINC000336040416 134062092 /nfs/dbraw/zinc/06/20/92/134062092.db2.gz AOAINBYJEWAEPH-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN Cc1ncc([C@H](C)NC2CSC2)s1 ZINC000639383157 355936631 /nfs/dbraw/zinc/93/66/31/355936631.db2.gz SHAKXPYAOSWRSK-LURJTMIESA-N 0 1 214.359 2.218 20 0 BEADMN COc1cccc(CN2CCC(C)(F)CC2)n1 ZINC000639388449 356006625 /nfs/dbraw/zinc/00/66/25/356006625.db2.gz BVOIMODHMLZPGK-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN COCCN(Cc1ccon1)[C@H]1CCC[C@@H]1C ZINC000351644569 356042550 /nfs/dbraw/zinc/04/25/50/356042550.db2.gz AKQUBIWDMMEZHB-AAEUAGOBSA-N 0 1 238.331 2.312 20 0 BEADMN CC1(F)CCN(Cc2cnc3n2CCC3)CC1 ZINC000639389158 356011314 /nfs/dbraw/zinc/01/13/14/356011314.db2.gz RMGWAQXHVRZDQO-UHFFFAOYSA-N 0 1 237.322 2.153 20 0 BEADMN Cc1nccnc1CN1CCC(C)(F)CC1 ZINC000639389208 356011858 /nfs/dbraw/zinc/01/18/58/356011858.db2.gz UHDDYDUFWZOZAE-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN Nc1c(F)cccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000639390216 356021698 /nfs/dbraw/zinc/02/16/98/356021698.db2.gz AJEGWZDHXZGMFT-VXNVDRBHSA-N 0 1 248.223 2.448 20 0 BEADMN CCn1cncc1CN(C)[C@H]1CC1(C)C ZINC000418021807 191954629 /nfs/dbraw/zinc/95/46/29/191954629.db2.gz AHOSMFRBRDMGST-NSHDSACASA-N 0 1 207.321 2.133 20 0 BEADMN CCC(CC)N(CCOC)Cc1ccn(C)n1 ZINC000351590275 356023708 /nfs/dbraw/zinc/02/37/08/356023708.db2.gz TUQHLSUJDWZMHI-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN C[C@H](F)CCN[C@@H](CO)c1c(F)cccc1F ZINC000351721046 356070085 /nfs/dbraw/zinc/07/00/85/356070085.db2.gz RFSQSSKCESTTAP-KWQFWETISA-N 0 1 247.260 2.336 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CC=C(C)CC1 ZINC000351731736 356073012 /nfs/dbraw/zinc/07/30/12/356073012.db2.gz OPYXPGLTRKUCQI-GFCCVEGCSA-N 0 1 225.332 2.226 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCCSCC1 ZINC000351737552 356076610 /nfs/dbraw/zinc/07/66/10/356076610.db2.gz UIWSKTUNSSDMLL-LLVKDONJSA-N 0 1 245.388 2.013 20 0 BEADMN CN(C)CC(=O)N1CCCC2(CCCC2)CC1 ZINC000617565077 356126462 /nfs/dbraw/zinc/12/64/62/356126462.db2.gz KCFDNRIZJIGVLK-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CC[C@H](C)F ZINC000351862251 356099370 /nfs/dbraw/zinc/09/93/70/356099370.db2.gz UALVUPMVTVRPPS-QWRGUYRKSA-N 0 1 231.311 2.152 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)c2C(F)(F)F)C1 ZINC000335919080 356165540 /nfs/dbraw/zinc/16/55/40/356165540.db2.gz UDWKQGNHWONOCC-MRVPVSSYSA-N 0 1 247.264 2.281 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000617571021 356133916 /nfs/dbraw/zinc/13/39/16/356133916.db2.gz DUVNFPIZYUKLIH-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1CN(CC2CCCC2)C[C@@H](C)S1=O ZINC000336088533 134077473 /nfs/dbraw/zinc/07/74/73/134077473.db2.gz JSMYKVPEVIXEJM-GHMZBOCLSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@@H]1OCC[C@@H]1CN1CCn2cccc2[C@@H]1C ZINC000639441363 356219423 /nfs/dbraw/zinc/21/94/23/356219423.db2.gz TUEZSQYBSJSPKJ-RWMBFGLXSA-N 0 1 234.343 2.290 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000639448501 356228951 /nfs/dbraw/zinc/22/89/51/356228951.db2.gz HTXOGPDXGAFDQA-ZDUSSCGKSA-N 0 1 203.285 2.195 20 0 BEADMN COc1ccccc1C[C@@H]1CCCN1CC(C)=O ZINC000639465694 356251779 /nfs/dbraw/zinc/25/17/79/356251779.db2.gz NRRLAEXUFUUOQI-AWEZNQCLSA-N 0 1 247.338 2.291 20 0 BEADMN C[C@@H](C(=O)NCC1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000617666874 356267652 /nfs/dbraw/zinc/26/76/52/356267652.db2.gz SMLUKLHCDZLKAB-UTUOFQBUSA-N 0 1 240.391 2.125 20 0 BEADMN COc1cccc(C[C@H]2CCC[N@H+]2CC(C)=O)c1 ZINC000639456680 356242078 /nfs/dbraw/zinc/24/20/78/356242078.db2.gz PEOFSKSASIEEOU-CQSZACIVSA-N 0 1 247.338 2.291 20 0 BEADMN COc1cccc(C[C@H]2CCCN2CC(C)=O)c1 ZINC000639456680 356242082 /nfs/dbraw/zinc/24/20/82/356242082.db2.gz PEOFSKSASIEEOU-CQSZACIVSA-N 0 1 247.338 2.291 20 0 BEADMN CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000639501793 356328276 /nfs/dbraw/zinc/32/82/76/356328276.db2.gz XSOMJSDBRWTPLQ-ZDUSSCGKSA-N 0 1 235.302 2.279 20 0 BEADMN C[C@@H]1CCN(CCC2CCCC2)CC[S@]1=O ZINC000336119621 134089908 /nfs/dbraw/zinc/08/99/08/134089908.db2.gz DFRJHMMGSWNTFQ-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccccn2)[C@@H]1C ZINC000639494223 356318489 /nfs/dbraw/zinc/31/84/89/356318489.db2.gz AZTXQMPDWRHGNM-VXGBXAGGSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@H]1CCCN(CC(=O)Nc2ccccn2)[C@H]1C ZINC000639494222 356318516 /nfs/dbraw/zinc/31/85/16/356318516.db2.gz AZTXQMPDWRHGNM-RYUDHWBXSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CC2)C[C@@H]1C ZINC000613490118 363463215 /nfs/dbraw/zinc/46/32/15/363463215.db2.gz VBAYSTKHSMEAKN-WOPDTQHZSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1nc(CC2CC2)no1 ZINC000639511204 356345294 /nfs/dbraw/zinc/34/52/94/356345294.db2.gz NPLNQEJCBDSPQP-VHSXEESVSA-N 0 1 235.331 2.252 20 0 BEADMN C(c1noc(CN2C[C@@H]3CCC[C@@H]3C2)n1)C1CC1 ZINC000639516040 356353178 /nfs/dbraw/zinc/35/31/78/356353178.db2.gz OOFVGLKWXJIFBR-TXEJJXNPSA-N 0 1 247.342 2.254 20 0 BEADMN CC(=O)CN1CCSC2(CCCCC2)C1 ZINC000639514962 356355950 /nfs/dbraw/zinc/35/59/50/356355950.db2.gz OWWVFQUQGHVGMS-UHFFFAOYSA-N 0 1 227.373 2.327 20 0 BEADMN C[C@H]1CN(Cc2nc(CC3CC3)no2)C[C@@H]1C ZINC000639503550 356330201 /nfs/dbraw/zinc/33/02/01/356330201.db2.gz NDYQKMJSAMWWLB-UWVGGRQHSA-N 0 1 235.331 2.110 20 0 BEADMN CCN1CCN(Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC000352667527 356400042 /nfs/dbraw/zinc/40/00/42/356400042.db2.gz LAHKDZVVSIWVBX-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639549584 356417192 /nfs/dbraw/zinc/41/71/92/356417192.db2.gz SWEUGSSQEVZNAJ-CHWSQXEVSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cc(CN(C)C(=O)c2ccn[nH]2)ccc1F ZINC000336151736 134104443 /nfs/dbraw/zinc/10/44/43/134104443.db2.gz VXTBJYMTLVDVPX-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CCC(F)(F)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000639557820 356461886 /nfs/dbraw/zinc/46/18/86/356461886.db2.gz QMCHKSPVFPQYGI-ZJUUUORDSA-N 0 1 220.307 2.056 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000639557985 356463356 /nfs/dbraw/zinc/46/33/56/356463356.db2.gz ARPYWDYMMFUNPZ-VHSXEESVSA-N 0 1 220.307 2.056 20 0 BEADMN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1ccccn1 ZINC000639558646 356463581 /nfs/dbraw/zinc/46/35/81/356463581.db2.gz FTONWICVQZLBEU-RYUDHWBXSA-N 0 1 247.342 2.283 20 0 BEADMN COCCCNc1nc(C2CCCC2)ns1 ZINC000420594164 192247469 /nfs/dbraw/zinc/24/74/69/192247469.db2.gz ZFVJIBCYCYXPNB-UHFFFAOYSA-N 0 1 241.360 2.066 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])nc1 ZINC000379283003 356439800 /nfs/dbraw/zinc/43/98/00/356439800.db2.gz RLFLDKRHEVXDST-CYBMUJFWSA-N 0 1 248.326 2.083 20 0 BEADMN FCCCNCc1ncc(Cl)s1 ZINC000379335141 356446102 /nfs/dbraw/zinc/44/61/02/356446102.db2.gz RTFWDOBLUPLHIV-UHFFFAOYSA-N 0 1 208.689 2.246 20 0 BEADMN CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286426 356481297 /nfs/dbraw/zinc/48/12/97/356481297.db2.gz RZSCDRXNAPATJC-UHFFFAOYSA-N 0 1 241.132 2.222 20 0 BEADMN CC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000639567492 356487685 /nfs/dbraw/zinc/48/76/85/356487685.db2.gz RLTHBNANFJOBHV-DZGCQCFKSA-N 0 1 247.338 2.333 20 0 BEADMN CC[C@H](NCC(C)=O)c1ccc(OC)cc1 ZINC000639560300 356473699 /nfs/dbraw/zinc/47/36/99/356473699.db2.gz BXQSTLUDPQUFFV-ZDUSSCGKSA-N 0 1 221.300 2.325 20 0 BEADMN CCN(Cc1cc(F)ccc1OC)C[C@@H](C)O ZINC000352224217 134109937 /nfs/dbraw/zinc/10/99/37/134109937.db2.gz ZVRMXVJZYDMRHM-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN NC(=O)[C@H](c1ccccc1)N1CCC2(CC2)CC1 ZINC000370271885 181278096 /nfs/dbraw/zinc/27/80/96/181278096.db2.gz YTKGUQDOBCBOMG-ZDUSSCGKSA-N 0 1 244.338 2.089 20 0 BEADMN CCc1nc([C@H](C)NC[C@H]2C[C@@H](O)C2)cs1 ZINC000420921366 192273586 /nfs/dbraw/zinc/27/35/86/192273586.db2.gz LFQKOXKCSBQFRS-LPEHRKFASA-N 0 1 240.372 2.127 20 0 BEADMN C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000639570339 356495055 /nfs/dbraw/zinc/49/50/55/356495055.db2.gz CAHONEXDVVEJRP-WYUUTHIRSA-N 0 1 215.312 2.091 20 0 BEADMN CCC(F)(F)CN[C@H](CCO)C(C)C ZINC000639577462 356498757 /nfs/dbraw/zinc/49/87/57/356498757.db2.gz GSTRPEBHKFXMSM-SECBINFHSA-N 0 1 209.280 2.028 20 0 BEADMN CCN(CCC1CC1)CC(=O)Nc1ccccn1 ZINC000639585856 356503926 /nfs/dbraw/zinc/50/39/26/356503926.db2.gz WFDMBAWPODPCCF-UHFFFAOYSA-N 0 1 247.342 2.142 20 0 BEADMN CC(=O)N1CCN(CC2=CCCCC2)[C@@H](C)C1 ZINC000336186147 134121611 /nfs/dbraw/zinc/12/16/11/134121611.db2.gz ANDDGENWUYCKPA-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCCCOC1CCN(Cc2cnccn2)CC1 ZINC000578118088 366274686 /nfs/dbraw/zinc/27/46/86/366274686.db2.gz QIVGSVJYUZEADE-UHFFFAOYSA-N 0 1 249.358 2.258 20 0 BEADMN CC[C@H](NCc1sccc1Cl)C(=O)NC ZINC000449782502 202034826 /nfs/dbraw/zinc/03/48/26/202034826.db2.gz YPTFCMKDRVDPAG-QMMMGPOBSA-N 0 1 246.763 2.016 20 0 BEADMN FC1(F)CC(C[N@H+]2CCOC[C@@H]2C2CC2)C1 ZINC000336197298 134127114 /nfs/dbraw/zinc/12/71/14/134127114.db2.gz OOHOCLBUGNMLIQ-LLVKDONJSA-N 0 1 231.286 2.143 20 0 BEADMN Cc1nc(CN2CC[C@H](CCCO)C2)cs1 ZINC000449793289 202038080 /nfs/dbraw/zinc/03/80/80/202038080.db2.gz WGLUEJNSDNJSKE-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN Cc1cnc(CN2CC[C@@H](CCCO)C2)s1 ZINC000449790157 202038692 /nfs/dbraw/zinc/03/86/92/202038692.db2.gz JWZYAZFJKZLCHS-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN COCc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421015925 192304658 /nfs/dbraw/zinc/30/46/58/192304658.db2.gz IQNHMALTCUSVNC-HNNXBMFYSA-N 0 1 247.338 2.198 20 0 BEADMN COc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421023062 192305740 /nfs/dbraw/zinc/30/57/40/192305740.db2.gz QSNJWYMGFJPTJP-AWEZNQCLSA-N 0 1 233.311 2.060 20 0 BEADMN Cc1c(Cl)c(CNC[C@@H]2C[C@@H]2C)nn1C ZINC000421324538 192318407 /nfs/dbraw/zinc/31/84/07/192318407.db2.gz IMKMYPIZPJTLAF-CBAPKCEASA-N 0 1 227.739 2.128 20 0 BEADMN CCCN(CC(N)=O)Cc1cccc(C2CC2)c1 ZINC000421350572 192320912 /nfs/dbraw/zinc/32/09/12/192320912.db2.gz AUQZYFOEOKVBSX-UHFFFAOYSA-N 0 1 246.354 2.261 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)NCc2cnc[nH]2)C[C@H]1C ZINC000449908393 202050755 /nfs/dbraw/zinc/05/07/55/202050755.db2.gz UKZDRIIRTDGVJX-GMTAPVOTSA-N 0 1 235.331 2.098 20 0 BEADMN C[C@@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336217497 134137741 /nfs/dbraw/zinc/13/77/41/134137741.db2.gz BPLVSIZFURUMCL-RCOVLWMOSA-N 0 1 245.244 2.062 20 0 BEADMN Cc1cnccc1CNc1cc2c(cn1)CCC2 ZINC000336217835 134137746 /nfs/dbraw/zinc/13/77/46/134137746.db2.gz UWDPINMNKWOCNW-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN F[C@H]1CCN(Cc2cccc3c2CCOC3)C1 ZINC000639661772 356575740 /nfs/dbraw/zinc/57/57/40/356575740.db2.gz FWTPWYPTXLXZNO-ZDUSSCGKSA-N 0 1 235.302 2.303 20 0 BEADMN C[C@H]1CC(C)(C)CN1CC(=O)Nc1ccccn1 ZINC000639678660 356594528 /nfs/dbraw/zinc/59/45/28/356594528.db2.gz ZAENSOHTVYJIMJ-NSHDSACASA-N 0 1 247.342 2.141 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC[C@H]2CC)[nH]1 ZINC000450134292 202084453 /nfs/dbraw/zinc/08/44/53/202084453.db2.gz IQCXUOVUHKHFAE-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC[C@H]2CC)n1 ZINC000450134292 202084456 /nfs/dbraw/zinc/08/44/56/202084456.db2.gz IQCXUOVUHKHFAE-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c[nH]1 ZINC000639694887 356603256 /nfs/dbraw/zinc/60/32/56/356603256.db2.gz OEIIZWFXUOGUSZ-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN c1nc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c[nH]1 ZINC000639694887 356603260 /nfs/dbraw/zinc/60/32/60/356603260.db2.gz OEIIZWFXUOGUSZ-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN c1nc(CN2CCC[C@@H](c3cccnc3)C2)c[nH]1 ZINC000639694887 356603264 /nfs/dbraw/zinc/60/32/64/356603264.db2.gz OEIIZWFXUOGUSZ-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN COC1(CNCc2ccon2)CCCCC1 ZINC000381774571 538468557 /nfs/dbraw/zinc/46/85/57/538468557.db2.gz WRFPVFSUBPBULC-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)NCCN1CCC1 ZINC000450199492 202094953 /nfs/dbraw/zinc/09/49/53/202094953.db2.gz FNLWZXMDYZSQPS-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CN(Cc1cnn(C)c1)CC1=CCCCC1 ZINC000450212303 202097417 /nfs/dbraw/zinc/09/74/17/202097417.db2.gz DGDYITVJNACQFA-UHFFFAOYSA-N 0 1 219.332 2.352 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1cn(CC2CC2)nn1 ZINC000450247519 202106066 /nfs/dbraw/zinc/10/60/66/202106066.db2.gz YKHIXQIIWBCNGW-NSHDSACASA-N 0 1 236.363 2.164 20 0 BEADMN CN(Cc1cn(CC2CC2)nn1)C1CCCC1 ZINC000450236025 202103764 /nfs/dbraw/zinc/10/37/64/202103764.db2.gz ZNAJNWGWHQTZOY-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN CN1CC[N@@H+](Cc2ccccn2)C[C@H]1C(C)(C)C ZINC000639751228 356643372 /nfs/dbraw/zinc/64/33/72/356643372.db2.gz YMYRXJQCGAJZJZ-AWEZNQCLSA-N 0 1 247.386 2.244 20 0 BEADMN CN1CC[N@@H+](Cc2ccncc2)C[C@H]1C(C)(C)C ZINC000639747227 356641958 /nfs/dbraw/zinc/64/19/58/356641958.db2.gz FZNSKLCIKQADMM-AWEZNQCLSA-N 0 1 247.386 2.244 20 0 BEADMN CCC(=O)CCCN1C[C@@H](CC)O[C@@H](C)C1 ZINC000450384885 202149216 /nfs/dbraw/zinc/14/92/16/202149216.db2.gz BYVABGUWRPXHQI-WCQYABFASA-N 0 1 227.348 2.245 20 0 BEADMN CC1(C)CCC[C@@H](CC(=O)N2CCNCC2)C1 ZINC000353086267 356701761 /nfs/dbraw/zinc/70/17/61/356701761.db2.gz KJQUVGDBKFFPLY-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](C)CCO)c(C)s1 ZINC000123332417 491101870 /nfs/dbraw/zinc/10/18/70/491101870.db2.gz VKKDTIGXGKJXGV-HTQZYQBOSA-N 0 1 228.361 2.181 20 0 BEADMN Cc1ncccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776511 356718079 /nfs/dbraw/zinc/71/80/79/356718079.db2.gz BGFMSKWLLRSNIC-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)ccn1 ZINC000639776965 356719712 /nfs/dbraw/zinc/71/97/12/356719712.db2.gz RMBWFZGEPGEUSG-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2cn[nH]c2)ccn1 ZINC000639776965 356719715 /nfs/dbraw/zinc/71/97/15/356719715.db2.gz RMBWFZGEPGEUSG-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cnccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776710 356722713 /nfs/dbraw/zinc/72/27/13/356722713.db2.gz PCTBMBKPPVPJFV-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639778569 356723264 /nfs/dbraw/zinc/72/32/64/356723264.db2.gz RKTGDQYPEOVWMJ-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2c2cn[nH]c2)O1 ZINC000639778733 356723648 /nfs/dbraw/zinc/72/36/48/356723648.db2.gz SRSTVHPMEKUWQI-KGYLQXTDSA-N 0 1 235.331 2.114 20 0 BEADMN C[C@H]1CCCN(Cc2cn(CC3CC3)nn2)[C@H]1C ZINC000450433072 202167061 /nfs/dbraw/zinc/16/70/61/202167061.db2.gz JAIBIACEAWQUAV-RYUDHWBXSA-N 0 1 248.374 2.309 20 0 BEADMN COC(C)(C)CCN(C)Cc1ccns1 ZINC000639807630 356777051 /nfs/dbraw/zinc/77/70/51/356777051.db2.gz JSTANMSMZCIMHE-UHFFFAOYSA-N 0 1 228.361 2.390 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000354813329 356744237 /nfs/dbraw/zinc/74/42/37/356744237.db2.gz CHNGPTRDPOMQED-SNVBAGLBSA-N 0 1 236.363 2.378 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000354813320 356744256 /nfs/dbraw/zinc/74/42/56/356744256.db2.gz CHNGPTRDPOMQED-JTQLQIEISA-N 0 1 236.363 2.378 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@H]2CC)[nH]1 ZINC000355053219 356748725 /nfs/dbraw/zinc/74/87/25/356748725.db2.gz OEKLQUCZEYTTMV-NXEZZACHSA-N 0 1 222.336 2.130 20 0 BEADMN CCc1nc(CN2C[C@H](C)CC(C)(C)C2)n[nH]1 ZINC000355067631 356749286 /nfs/dbraw/zinc/74/92/86/356749286.db2.gz WDEOPKCKJAGVCQ-SNVBAGLBSA-N 0 1 236.363 2.235 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2cn(CC3CC3)nn2)C1 ZINC000450454545 202171095 /nfs/dbraw/zinc/17/10/95/202171095.db2.gz LVMGASSPPDLRAS-RYUDHWBXSA-N 0 1 248.374 2.309 20 0 BEADMN c1ccc(OCCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054344230 363567227 /nfs/dbraw/zinc/56/72/27/363567227.db2.gz ONTDTTWWWIONAJ-LSDHHAIUSA-N 0 1 247.338 2.319 20 0 BEADMN CN(CCC[C@@H]1CCOC1)Cc1ccns1 ZINC000639810748 356788858 /nfs/dbraw/zinc/78/88/58/356788858.db2.gz ZBXKMWUYJMGXNJ-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000357003663 356811965 /nfs/dbraw/zinc/81/19/65/356811965.db2.gz ZRASOMMDHGMBJI-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000357003662 356811982 /nfs/dbraw/zinc/81/19/82/356811982.db2.gz ZRASOMMDHGMBJI-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](NCc1nc(CC2CC2)no1)C1CC1 ZINC000639829048 356812550 /nfs/dbraw/zinc/81/25/50/356812550.db2.gz RLYQPCKQHLLICD-LLVKDONJSA-N 0 1 235.331 2.300 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1CC(F)(F)C1 ZINC000450493020 202185158 /nfs/dbraw/zinc/18/51/58/202185158.db2.gz YURYFPAXJUIBID-VIFPVBQESA-N 0 1 249.301 2.304 20 0 BEADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1ncc[nH]1 ZINC000309561383 491104147 /nfs/dbraw/zinc/10/41/47/491104147.db2.gz LEIGPRGGQYUHFR-SSDOTTSWSA-N 0 1 233.237 2.403 20 0 BEADMN C[C@H](N[C@@H](CO)CC1CCCC1)c1ncc[nH]1 ZINC000353594573 538751885 /nfs/dbraw/zinc/75/18/85/538751885.db2.gz NAACSRAGXRHICC-CMPLNLGQSA-N 0 1 237.347 2.002 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@@H](C)c2ncc[nH]2)C1(C)C ZINC000353521576 538749643 /nfs/dbraw/zinc/74/96/43/538749643.db2.gz QFHAELMEUNIEHU-OUJBWJOFSA-N 0 1 237.347 2.264 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(C(C)C)co1 ZINC001641053607 1172217650 /nfs/dbraw/zinc/21/76/50/1172217650.db2.gz MGQGFVVOGKERMP-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CCSCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000129851499 356986612 /nfs/dbraw/zinc/98/66/12/356986612.db2.gz GNRUWZUYLGMVDU-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CC[C@@H](O)CN1CCC[C@H]1c1nccs1 ZINC000369824329 356997568 /nfs/dbraw/zinc/99/75/68/356997568.db2.gz AEXIKMFZGIGXKS-ZJUUUORDSA-N 0 1 226.345 2.051 20 0 BEADMN CC(C)(C)[C@@H](O)CN1CCC[C@H]1c1ncccn1 ZINC000639872802 357045709 /nfs/dbraw/zinc/04/57/09/357045709.db2.gz RISDBZTXQGPTAL-RYUDHWBXSA-N 0 1 249.358 2.021 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccccc1F ZINC000389989990 357078246 /nfs/dbraw/zinc/07/82/46/357078246.db2.gz NVCIAVGOIZFCOU-VXGBXAGGSA-N 0 1 209.264 2.093 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000390521072 357100480 /nfs/dbraw/zinc/10/04/80/357100480.db2.gz FKGWUGWICMBQBY-RYUDHWBXSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1ncn(C)n1 ZINC000391917730 357137100 /nfs/dbraw/zinc/13/71/00/357137100.db2.gz DKNMINYAYCUWCL-VWYCJHECSA-N 0 1 236.363 2.290 20 0 BEADMN CC(C)(C)[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000356031202 538804887 /nfs/dbraw/zinc/80/48/87/538804887.db2.gz DUDZMQUGSGTJRW-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CCc1nc(NC(=O)c2cc(C)cc(C)c2)n[nH]1 ZINC000123103973 357212100 /nfs/dbraw/zinc/21/21/00/357212100.db2.gz KGAQQVBCTGEFAG-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(C)cc(C)c2)n1 ZINC000123103973 357212104 /nfs/dbraw/zinc/21/21/04/357212104.db2.gz KGAQQVBCTGEFAG-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1C ZINC000639888156 357185953 /nfs/dbraw/zinc/18/59/53/357185953.db2.gz JHOLMEDPHVZWCP-KNVOCYPGSA-N 0 1 243.257 2.075 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H]1C ZINC000639888155 357186002 /nfs/dbraw/zinc/18/60/02/357186002.db2.gz JHOLMEDPHVZWCP-BQBZGAKWSA-N 0 1 243.257 2.075 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cc(C)on1)C(C)C ZINC000393769652 357297623 /nfs/dbraw/zinc/29/76/23/357297623.db2.gz GFFWGUHGBLOIQP-CMPLNLGQSA-N 0 1 226.320 2.305 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccncc1F ZINC000393906436 357306009 /nfs/dbraw/zinc/30/60/09/357306009.db2.gz NFCLYCNOWQDGGT-GGZOMVNGSA-N 0 1 224.279 2.049 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)C1(C)CCCC1 ZINC000357104950 538825769 /nfs/dbraw/zinc/82/57/69/538825769.db2.gz GLXJVRGKHVYKSF-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000628423444 357246993 /nfs/dbraw/zinc/24/69/93/357246993.db2.gz VBBJJVSOGVEPOK-MNOVXSKESA-N 0 1 237.372 2.188 20 0 BEADMN C[C@]1(CN2CC3(C2)CCCO3)CCCS1 ZINC000628427502 357256073 /nfs/dbraw/zinc/25/60/73/357256073.db2.gz GOQMBKQPSKSSML-LLVKDONJSA-N 0 1 227.373 2.137 20 0 BEADMN COCC1(N[C@H](C)c2ccncc2F)CC1 ZINC000393143615 357277835 /nfs/dbraw/zinc/27/78/35/357277835.db2.gz FSLFPBKVFODFGR-SECBINFHSA-N 0 1 224.279 2.050 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000393234998 357279713 /nfs/dbraw/zinc/27/97/13/357279713.db2.gz ZHUQTJBQEZLRBA-QMMMGPOBSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000357146620 538826466 /nfs/dbraw/zinc/82/64/66/538826466.db2.gz ZBZQUQNLBWYAID-IJLUTSLNSA-N 0 1 249.358 2.235 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000394644592 357366630 /nfs/dbraw/zinc/36/66/30/357366630.db2.gz IJBVAQKQQILUSM-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN COC(=O)C(C)(C)CCN1CCC[C@H](F)C1 ZINC000582909101 357433286 /nfs/dbraw/zinc/43/32/86/357433286.db2.gz GNANOSLLXJOZTP-JTQLQIEISA-N 0 1 231.311 2.010 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2c(C)nsc2C)C1 ZINC000582913295 357433917 /nfs/dbraw/zinc/43/39/17/357433917.db2.gz DKXSZYRCOQVIDH-PHIMTYICSA-N 0 1 240.372 2.369 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)CC(=O)[O-] ZINC000583036287 357466609 /nfs/dbraw/zinc/46/66/09/357466609.db2.gz IIBNGIUZLUTBPV-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN CCCCC[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000396976402 357488106 /nfs/dbraw/zinc/48/81/06/357488106.db2.gz KKOANCVENLKUIR-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC/C=C\CCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000588476067 538851869 /nfs/dbraw/zinc/85/18/69/538851869.db2.gz SYYVUVQFYVMXMM-TYHIMRJMSA-N 0 1 239.359 2.223 20 0 BEADMN CN(CCN1CCOCC1(C)C)c1ccccc1 ZINC000085787814 357622189 /nfs/dbraw/zinc/62/21/89/357622189.db2.gz XRPQEIACZJJMJG-UHFFFAOYSA-N 0 1 248.370 2.234 20 0 BEADMN C[C@H](CC(F)(F)F)Nc1ncnc2[nH]cnc21 ZINC000231749739 357623788 /nfs/dbraw/zinc/62/37/88/357623788.db2.gz RSWMRHLHXOPSQK-RXMQYKEDSA-N 0 1 245.208 2.106 20 0 BEADMN CCC[C@H](NCC(=O)NC(C)C)c1ccccn1 ZINC000158505925 538862854 /nfs/dbraw/zinc/86/28/54/538862854.db2.gz REOFRFSDFDJXAL-LBPRGKRZSA-N 0 1 249.358 2.037 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000390433226 538866921 /nfs/dbraw/zinc/86/69/21/538866921.db2.gz GEKSOFRPYOJSIH-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN CCCN(C)CC(=O)Nc1ccccc1F ZINC000063762136 357718604 /nfs/dbraw/zinc/71/86/04/357718604.db2.gz ILWSXHVVFNNLDH-UHFFFAOYSA-N 0 1 224.279 2.106 20 0 BEADMN CC(C)CC[C@@H](C)NCc1nc(N(C)C)no1 ZINC000191898779 357802886 /nfs/dbraw/zinc/80/28/86/357802886.db2.gz UIVANEXFZLTQBH-SNVBAGLBSA-N 0 1 240.351 2.050 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N1CCCC1 ZINC000191907567 357804146 /nfs/dbraw/zinc/80/41/46/357804146.db2.gz FRMIDEMZAKGZKW-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CCN(CC(C)C)[C@@H](C)c1nnnn1C1CC1 ZINC000191935654 357805239 /nfs/dbraw/zinc/80/52/39/357805239.db2.gz IVLNANDEUMNXMX-JTQLQIEISA-N 0 1 237.351 2.047 20 0 BEADMN C[C@@H](C1CC1)N(Cc1ncccn1)C1CC1 ZINC000191941948 357806402 /nfs/dbraw/zinc/80/64/02/357806402.db2.gz INOFGUJBURXZQI-JTQLQIEISA-N 0 1 217.316 2.240 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCCOC ZINC000191965097 357807157 /nfs/dbraw/zinc/80/71/57/357807157.db2.gz KCUGVQHVNPULCE-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CCn1ncnc1CN(CC(C)C)C(C)C ZINC000193309541 357873664 /nfs/dbraw/zinc/87/36/64/357873664.db2.gz GAZAHHPWMQZTBF-UHFFFAOYSA-N 0 1 224.352 2.164 20 0 BEADMN CCCc1csc(CN[C@@H]2CO[C@H](C)C2)n1 ZINC000583752632 357934765 /nfs/dbraw/zinc/93/47/65/357934765.db2.gz ULGJUJLXDINARJ-KOLCDFICSA-N 0 1 240.372 2.363 20 0 BEADMN CCCc1csc(CN[C@@H]2CO[C@@H](C)C2)n1 ZINC000583752634 357935019 /nfs/dbraw/zinc/93/50/19/357935019.db2.gz ULGJUJLXDINARJ-ONGXEEELSA-N 0 1 240.372 2.363 20 0 BEADMN CNC(=O)C[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000133357960 325289538 /nfs/dbraw/zinc/28/95/38/325289538.db2.gz PUASUOUOYXXKML-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN COC(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000610511837 357965007 /nfs/dbraw/zinc/96/50/07/357965007.db2.gz NAWHHAYTOXJNML-LBPRGKRZSA-N 0 1 237.274 2.136 20 0 BEADMN CCC(F)(F)CNCC[C@H]1CCOC1 ZINC000628435578 357998242 /nfs/dbraw/zinc/99/82/42/357998242.db2.gz RJZMUWJCTYICKP-VIFPVBQESA-N 0 1 207.264 2.048 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000219116415 357979454 /nfs/dbraw/zinc/97/94/54/357979454.db2.gz HQELDWPCMQDQPG-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000035415398 357980047 /nfs/dbraw/zinc/98/00/47/357980047.db2.gz QCMSJHXWFXIPSB-UHFFFAOYSA-N 0 1 221.300 2.473 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)CC(=O)[O-])cc1 ZINC000035752159 357998617 /nfs/dbraw/zinc/99/86/17/357998617.db2.gz UPKQPRLFQQCMRW-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN CC(C)C[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035433038 357992061 /nfs/dbraw/zinc/99/20/61/357992061.db2.gz KFKGWYMOGFINBK-UHFFFAOYSA-N 0 1 211.261 2.066 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000035433049 357992185 /nfs/dbraw/zinc/99/21/85/357992185.db2.gz OPROUFLIEPVBAD-SECBINFHSA-N 0 1 225.288 2.456 20 0 BEADMN Cc1oc(C[N@H+](C)CC(C)C)cc1C(=O)[O-] ZINC000035432261 357992345 /nfs/dbraw/zinc/99/23/45/357992345.db2.gz CZENGSLNWSNPLH-UHFFFAOYSA-N 0 1 225.288 2.374 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cn(C(C)C)nc1C ZINC000546656570 325299295 /nfs/dbraw/zinc/29/92/95/325299295.db2.gz BCGLYQOFBDXRJR-OLZOCXBDSA-N 0 1 237.347 2.039 20 0 BEADMN CSc1nc(=O)n(C[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000584480968 357996827 /nfs/dbraw/zinc/99/68/27/357996827.db2.gz UTBNYUJZLPDBSF-IUCAKERBSA-N 0 1 241.360 2.120 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000584525728 358034221 /nfs/dbraw/zinc/03/42/21/358034221.db2.gz BEFIMQXWOVHJFT-XVKPBYJWSA-N 0 1 247.273 2.230 20 0 BEADMN FCCC1CCN(Cc2ccno2)CC1 ZINC000639986972 358026848 /nfs/dbraw/zinc/02/68/48/358026848.db2.gz CJERZJWLJPBBLF-UHFFFAOYSA-N 0 1 212.268 2.246 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cccc(F)c1F ZINC000546811252 325312985 /nfs/dbraw/zinc/31/29/85/325312985.db2.gz YCLIBMSVHHXFJT-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1cc(CN2CCC(CCF)CC2)ncn1 ZINC000639990607 358038890 /nfs/dbraw/zinc/03/88/90/358038890.db2.gz YZTZWDSISTYKFW-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN Cc1cc(C(=O)CN(C)CC(C)C)c(C)n1C ZINC000037335825 358078324 /nfs/dbraw/zinc/07/83/24/358078324.db2.gz MVBINPQWTVUZTO-UHFFFAOYSA-N 0 1 236.359 2.412 20 0 BEADMN CCn1ccnc1CNCCOCCC(C)C ZINC000051924295 358102548 /nfs/dbraw/zinc/10/25/48/358102548.db2.gz YCVAQQRMEXREGH-UHFFFAOYSA-N 0 1 239.363 2.055 20 0 BEADMN CCOC(=O)C[N@@H+](CCCOC(C)C)C(C)C ZINC000170929351 134255594 /nfs/dbraw/zinc/25/55/94/134255594.db2.gz BOJBNSMJLKEYOH-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CCOC(=O)CN(CCCOC(C)C)C(C)C ZINC000170929351 134255595 /nfs/dbraw/zinc/25/55/95/134255595.db2.gz BOJBNSMJLKEYOH-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CCC(C)(C)CNC(=O)CN1CCC(C)(C)C1 ZINC000583881304 358115281 /nfs/dbraw/zinc/11/52/81/358115281.db2.gz XZAYDYDZTYTMTE-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C=CC=CCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001641250342 1172238719 /nfs/dbraw/zinc/23/87/19/1172238719.db2.gz HKKHAVQFTQSELQ-ONEGZZNKSA-N 0 1 243.266 2.339 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N1CCC(C)(F)CC1 ZINC000640070554 358156505 /nfs/dbraw/zinc/15/65/05/358156505.db2.gz LFIDXIRWSZPNNN-SNVBAGLBSA-N 0 1 244.354 2.114 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@@H]1CC(=O)[O-])C(F)(F)F ZINC000584724567 358166281 /nfs/dbraw/zinc/16/62/81/358166281.db2.gz FUJPSAUUPJGFQG-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000584724646 358166660 /nfs/dbraw/zinc/16/66/60/358166660.db2.gz GTKSFJOLGHEFAS-HOSYDEDBSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C(C)(C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000584729157 358167745 /nfs/dbraw/zinc/16/77/45/358167745.db2.gz CEYBJKHOZYEPTJ-LBPRGKRZSA-N 0 1 240.391 2.127 20 0 BEADMN CC(C)C(C)(C)CNC(=O)CN1CC[C@H](C)C1 ZINC000584729157 358167751 /nfs/dbraw/zinc/16/77/51/358167751.db2.gz CEYBJKHOZYEPTJ-LBPRGKRZSA-N 0 1 240.391 2.127 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000104616942 358248482 /nfs/dbraw/zinc/24/84/82/358248482.db2.gz HOYPAZAIEMLVIU-KOLCDFICSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000104616953 358248503 /nfs/dbraw/zinc/24/85/03/358248503.db2.gz HOYPAZAIEMLVIU-GXSJLCMTSA-N 0 1 247.342 2.207 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CCSC2)n1 ZINC000223760048 358230350 /nfs/dbraw/zinc/23/03/50/358230350.db2.gz OZUQZXCESVOIOY-NSHDSACASA-N 0 1 225.361 2.059 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000040718639 358245611 /nfs/dbraw/zinc/24/56/11/358245611.db2.gz GMDJTGMIXOWZQH-JQWIXIFHSA-N 0 1 219.284 2.154 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000450761332 202259441 /nfs/dbraw/zinc/25/94/41/202259441.db2.gz RDYJVAWNOVDMGA-IJLUTSLNSA-N 0 1 249.358 2.400 20 0 BEADMN C[C@@H](NCc1cc(C(C)(C)C)on1)[C@H](C)CO ZINC000450740760 202251421 /nfs/dbraw/zinc/25/14/21/202251421.db2.gz WKTUAVFFAZJCKE-NXEZZACHSA-N 0 1 240.347 2.079 20 0 BEADMN C[C@H](O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000450746426 202252337 /nfs/dbraw/zinc/25/23/37/202252337.db2.gz RJXAELAPRADNET-JSGCOSHPSA-N 0 1 241.375 2.038 20 0 BEADMN CCC[C@@H](C)CN(C)[C@@H](C)CS(=O)(=O)CC ZINC000180255483 366392818 /nfs/dbraw/zinc/39/28/18/366392818.db2.gz KZIDSXMKEMOKNG-NEPJUHHUSA-N 0 1 249.420 2.178 20 0 BEADMN COC[C@H]1CN(Cc2cc(C)ccc2C)CCO1 ZINC000172887588 134270897 /nfs/dbraw/zinc/27/08/97/134270897.db2.gz HRGDYXSGYSUAGV-OAHLLOKOSA-N 0 1 249.354 2.151 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000226759643 358343625 /nfs/dbraw/zinc/34/36/25/358343625.db2.gz GMDJTGMIXOWZQH-ZYHUDNBSSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437053 358348963 /nfs/dbraw/zinc/34/89/63/358348963.db2.gz KSLFTQAGUUTCPP-VIFPVBQESA-N 0 1 225.263 2.121 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])n1 ZINC000229299417 358376116 /nfs/dbraw/zinc/37/61/16/358376116.db2.gz BKFDLBWODAJOCE-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229213925 358367492 /nfs/dbraw/zinc/36/74/92/358367492.db2.gz JXTFVFOWSKIWJM-SDDRHHMPSA-N 0 1 223.316 2.138 20 0 BEADMN CCC(CC)NC(=O)[C@H]1NCCc2ccccc21 ZINC000044426787 358408887 /nfs/dbraw/zinc/40/88/87/358408887.db2.gz WRTVJRGJLCENLX-AWEZNQCLSA-N 0 1 246.354 2.178 20 0 BEADMN C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)[C@@H](C(=O)[O-])C1 ZINC000230361772 358398075 /nfs/dbraw/zinc/39/80/75/358398075.db2.gz LUEVQOMLURYHEO-IJLUTSLNSA-N 0 1 223.316 2.280 20 0 BEADMN Cc1ccnc(NCCCCn2ccnc2)c1 ZINC000045108241 358401152 /nfs/dbraw/zinc/40/11/52/358401152.db2.gz MIZWPLPICXOGAL-UHFFFAOYSA-N 0 1 230.315 2.479 20 0 BEADMN Cc1cc(F)cc(NC(=O)CN(C)C(C)C)c1 ZINC000135042793 325390466 /nfs/dbraw/zinc/39/04/66/325390466.db2.gz PVWFXUZMMHPMKN-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN FC[C@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000640155582 358439120 /nfs/dbraw/zinc/43/91/20/358439120.db2.gz XTFHPPVVNCTIES-LBPRGKRZSA-N 0 1 237.253 2.349 20 0 BEADMN CCC(CC)NC(=O)CN1CCC(C)CC1 ZINC000042975684 358533325 /nfs/dbraw/zinc/53/33/25/358533325.db2.gz RYIUMVJSWFOCDZ-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccc(O)cc2)no1 ZINC000130531945 358631269 /nfs/dbraw/zinc/63/12/69/358631269.db2.gz ORLDQWTZKNATHI-SNVBAGLBSA-N 0 1 246.310 2.409 20 0 BEADMN CN(Cc1cccs1)c1ncnc2[nH]cnc21 ZINC000047509194 358593510 /nfs/dbraw/zinc/59/35/10/358593510.db2.gz YVGYMUMFMNYJHE-UHFFFAOYSA-N 0 1 245.311 2.051 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000130852051 358649778 /nfs/dbraw/zinc/64/97/78/358649778.db2.gz FIFUOFYSXBYAFX-COPLHBTASA-N 0 1 219.394 2.264 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1nc2ccccc2n1C ZINC000131303175 358670749 /nfs/dbraw/zinc/67/07/49/358670749.db2.gz PUNHNLLSOXANRN-GHMZBOCLSA-N 0 1 245.326 2.013 20 0 BEADMN Cc1cc(CN(CCO)C2CCCCC2)no1 ZINC000049856771 358704318 /nfs/dbraw/zinc/70/43/18/358704318.db2.gz USAITKHAEOHVCL-UHFFFAOYSA-N 0 1 238.331 2.110 20 0 BEADMN CCCN(C)C(=O)c1cccc2c[nH]nc21 ZINC000049479161 358689925 /nfs/dbraw/zinc/68/99/25/358689925.db2.gz MHGSIMOOVVAOBU-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1cccc(F)c1F ZINC000131705137 358690985 /nfs/dbraw/zinc/69/09/85/358690985.db2.gz HCCSOLQTROGQAV-RKDXNWHRSA-N 0 1 227.254 2.404 20 0 BEADMN CCC[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000049480600 358691022 /nfs/dbraw/zinc/69/10/22/358691022.db2.gz BKEARHVDFCJFIV-UHFFFAOYSA-N 0 1 237.328 2.239 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1cccc(F)c1F ZINC000131705562 358691227 /nfs/dbraw/zinc/69/12/27/358691227.db2.gz HCCSOLQTROGQAV-BDAKNGLRSA-N 0 1 227.254 2.404 20 0 BEADMN CC(C)n1ccc(CN2CC[C@]3(CCOC3)C2)n1 ZINC000176314081 134290928 /nfs/dbraw/zinc/29/09/28/134290928.db2.gz JWJKFBLRGATXCY-AWEZNQCLSA-N 0 1 249.358 2.076 20 0 BEADMN CCNC(=O)C[N@@H+](C)CCCCc1ccccc1 ZINC000052037318 358772232 /nfs/dbraw/zinc/77/22/32/358772232.db2.gz SXBHUBKCZFRAOH-UHFFFAOYSA-N 0 1 248.370 2.077 20 0 BEADMN CCCNC(=O)[C@@H](C)N(C)CCc1ccccc1 ZINC000051999445 358769584 /nfs/dbraw/zinc/76/95/84/358769584.db2.gz RRYXJSAVQWYMBO-CYBMUJFWSA-N 0 1 248.370 2.076 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000050924747 358739407 /nfs/dbraw/zinc/73/94/07/358739407.db2.gz WULRCKHBADMVMA-CYBMUJFWSA-N 0 1 248.326 2.301 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1CC(F)(F)C1 ZINC000578242372 366468794 /nfs/dbraw/zinc/46/87/94/366468794.db2.gz UYVHANIVZPSKGA-SNVBAGLBSA-N 0 1 249.301 2.463 20 0 BEADMN CC(C)c1cnc(CNCC2(O)CCC2)s1 ZINC000134848224 358807878 /nfs/dbraw/zinc/80/78/78/358807878.db2.gz HIAOZHIZZAJRQK-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1ncnn1C ZINC000135312319 358831362 /nfs/dbraw/zinc/83/13/62/358831362.db2.gz UFHVLBGEOSUTSW-LBPRGKRZSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](O)C1 ZINC000056492362 358897988 /nfs/dbraw/zinc/89/79/88/358897988.db2.gz ACJSHUJHYMVTEI-MFKMUULPSA-N 0 1 223.291 2.343 20 0 BEADMN CCCN(CC(=O)NC)Cc1cc(C)cc(C)c1 ZINC000056508528 358898849 /nfs/dbraw/zinc/89/88/49/358898849.db2.gz RSBCYUSWMUWETQ-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN C[C@@H](CN[C@@H](C)c1ncc[nH]1)C(F)(F)F ZINC000308828942 491138358 /nfs/dbraw/zinc/13/83/58/491138358.db2.gz FLPJQWOIPNVGOE-BQBZGAKWSA-N 0 1 221.226 2.259 20 0 BEADMN CCOC(=O)CCCN1CC2(C1)CC(F)(F)C2 ZINC000611180864 358929044 /nfs/dbraw/zinc/92/90/44/358929044.db2.gz YPWNLERYLMIVPF-UHFFFAOYSA-N 0 1 247.285 2.061 20 0 BEADMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000061363246 358932840 /nfs/dbraw/zinc/93/28/40/358932840.db2.gz NXXLTBOMBCZKLW-NXEZZACHSA-N 0 1 240.372 2.312 20 0 BEADMN COc1cccc(CNCc2ccccc2)n1 ZINC000070070077 359040070 /nfs/dbraw/zinc/04/00/70/359040070.db2.gz LGWKJPPJZMUMGA-UHFFFAOYSA-N 0 1 228.295 2.380 20 0 BEADMN CCCC[C@H](CC)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000070076370 359040087 /nfs/dbraw/zinc/04/00/87/359040087.db2.gz FDPAVSWTZVVWIA-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN c1cc2c(s1)CCN(C[C@H]1CCCO1)C2 ZINC000073368829 359100351 /nfs/dbraw/zinc/10/03/51/359100351.db2.gz QFHJHECBOABPFI-LLVKDONJSA-N 0 1 223.341 2.285 20 0 BEADMN Cc1noc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000073620202 359104777 /nfs/dbraw/zinc/10/47/77/359104777.db2.gz UXSPYFIMDOOITE-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1nccn1C ZINC000070445335 359055590 /nfs/dbraw/zinc/05/55/90/359055590.db2.gz TVPWRBXRMDVFAC-GFCCVEGCSA-N 0 1 245.326 2.150 20 0 BEADMN CCC[C@H]1CCCN([C@H](C)C(=O)OCC)C1 ZINC000246525358 359143407 /nfs/dbraw/zinc/14/34/07/359143407.db2.gz KWIXOENVOVNBMJ-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000246613777 359151068 /nfs/dbraw/zinc/15/10/68/359151068.db2.gz GVCRIVWXMLOGTA-JSGCOSHPSA-N 0 1 247.338 2.113 20 0 BEADMN CCS[C@@H]1CCCCN([C@H](C)C(=O)OC)C1 ZINC000246735631 359160375 /nfs/dbraw/zinc/16/03/75/359160375.db2.gz MKOQEBFMVFFIES-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H]1CCCN1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000246957749 359177466 /nfs/dbraw/zinc/17/74/66/359177466.db2.gz PLJQUYMMQCIBJS-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN Clc1ccc2c(c1)[C@@H](NC1CSC1)CO2 ZINC000308881532 491139563 /nfs/dbraw/zinc/13/95/63/491139563.db2.gz QGWZUIDMGANSBX-JTQLQIEISA-N 0 1 241.743 2.479 20 0 BEADMN CCc1noc([C@@H](C)N2CCC[C@H]2C)n1 ZINC000247553708 359234055 /nfs/dbraw/zinc/23/40/55/359234055.db2.gz QEXJBJHWGRGIQZ-RKDXNWHRSA-N 0 1 209.293 2.177 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H](C)O1 ZINC000247582740 359236560 /nfs/dbraw/zinc/23/65/60/359236560.db2.gz LRYZRZOIXJOKPF-JHJVBQTASA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2)C[C@@H](C)O1 ZINC000247588716 359236620 /nfs/dbraw/zinc/23/66/20/359236620.db2.gz MSCXVQPAQLAMPG-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN COC[C@H]1C[N@H+]([C@H](C)c2cccc(C)c2)CCO1 ZINC000247217213 359201841 /nfs/dbraw/zinc/20/18/41/359201841.db2.gz CPJLUKPKOHMTTE-UKRRQHHQSA-N 0 1 249.354 2.403 20 0 BEADMN COC[C@H]1CN([C@H](C)c2cccc(C)c2)CCO1 ZINC000247217213 359201847 /nfs/dbraw/zinc/20/18/47/359201847.db2.gz CPJLUKPKOHMTTE-UKRRQHHQSA-N 0 1 249.354 2.403 20 0 BEADMN CC[C@H]1COCCN1Cc1ccccc1N(C)C ZINC000075746561 359209266 /nfs/dbraw/zinc/20/92/66/359209266.db2.gz BNECBOPLKXSXRS-AWEZNQCLSA-N 0 1 248.370 2.363 20 0 BEADMN CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000247354129 359215749 /nfs/dbraw/zinc/21/57/49/359215749.db2.gz GVYLWFPQRLVKJX-OCCSQVGLSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1n[nH]cc1CN1CC(Cc2cccs2)C1 ZINC000628478977 359313569 /nfs/dbraw/zinc/31/35/69/359313569.db2.gz VVKTYTBLWZCGTO-UHFFFAOYSA-N 0 1 247.367 2.454 20 0 BEADMN CC[C@@H](NCc1csc(C)n1)C(C)(C)O ZINC000292894889 359321285 /nfs/dbraw/zinc/32/12/85/359321285.db2.gz DGQIPHYTXLEYBN-SNVBAGLBSA-N 0 1 228.361 2.091 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CC[C@H](c2ccco2)C1 ZINC000611660938 359407256 /nfs/dbraw/zinc/40/72/56/359407256.db2.gz WUUDRXBCTNACMM-WCQYABFASA-N 0 1 249.310 2.021 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CC[C@@H](c2ccco2)C1 ZINC000611660939 359407681 /nfs/dbraw/zinc/40/76/81/359407681.db2.gz WUUDRXBCTNACMM-YPMHNXCESA-N 0 1 249.310 2.021 20 0 BEADMN COCC(C)(C)CN[C@@H]1CCCC1(F)F ZINC000308970317 491141259 /nfs/dbraw/zinc/14/12/59/491141259.db2.gz YVAXUDCUIOQQTK-SECBINFHSA-N 0 1 221.291 2.436 20 0 BEADMN Cc1nnc(CN[C@@H]2CCCC2(C)C)o1 ZINC000191301137 359555054 /nfs/dbraw/zinc/55/50/54/359555054.db2.gz COZAPMWEHPEFPV-SECBINFHSA-N 0 1 209.293 2.046 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cnc2ccccc2c1 ZINC000380600541 359557068 /nfs/dbraw/zinc/55/70/68/359557068.db2.gz VOVKOPAHJNQFAF-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CCc1c(C)[nH]n(-c2cccc(OC)c2)c1=O ZINC000160981374 359625964 /nfs/dbraw/zinc/62/59/64/359625964.db2.gz LFBXSQFZLLMKHK-GFCCVEGCSA-N 0 1 232.283 2.444 20 0 BEADMN COC[C@H]1CN(CC2=CCCCC2)C[C@@H](C)O1 ZINC000450825425 202278054 /nfs/dbraw/zinc/27/80/54/202278054.db2.gz GDUBGSMMRXJURF-TZMCWYRMSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@@H]1CN(CC2=CCCCC2)C[C@H](C)O1 ZINC000450825423 202278221 /nfs/dbraw/zinc/27/82/21/202278221.db2.gz GDUBGSMMRXJURF-JSGCOSHPSA-N 0 1 239.359 2.223 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCC1=CCCCC1 ZINC000450918363 202308046 /nfs/dbraw/zinc/30/80/46/202308046.db2.gz VLCUGQBBLVVOBE-LLVKDONJSA-N 0 1 225.332 2.370 20 0 BEADMN CSc1ccccc1[C@H](C)NCc1c[nH]nn1 ZINC000450913057 202308154 /nfs/dbraw/zinc/30/81/54/202308154.db2.gz UKLWLXLWTVDROB-VIFPVBQESA-N 0 1 248.355 2.377 20 0 BEADMN CCCC1(CNC(=O)C2(N(C)C)CC2)CCC1 ZINC000612319096 359789751 /nfs/dbraw/zinc/78/97/51/359789751.db2.gz UXKNSFRTLIHIGR-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450905591 202304961 /nfs/dbraw/zinc/30/49/61/202304961.db2.gz OJTMNKHIBHXFTH-ZJUUUORDSA-N 0 1 239.319 2.143 20 0 BEADMN CCC[C@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450905589 202306578 /nfs/dbraw/zinc/30/65/78/202306578.db2.gz OJTMNKHIBHXFTH-UWVGGRQHSA-N 0 1 239.319 2.143 20 0 BEADMN CC(C)(C)OC1CC(Sc2cn[nH]n2)C1 ZINC000450865371 202293724 /nfs/dbraw/zinc/29/37/24/202293724.db2.gz VPVBDCILMGNQFJ-UHFFFAOYSA-N 0 1 227.333 2.243 20 0 BEADMN CN(Cc1cn(CC2CC2)nn1)C1(C)CCCC1 ZINC000450877967 202295758 /nfs/dbraw/zinc/29/57/58/202295758.db2.gz RMFDKKVHVRILGX-UHFFFAOYSA-N 0 1 248.374 2.453 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(OC)ccc1F ZINC000550213987 325526206 /nfs/dbraw/zinc/52/62/06/325526206.db2.gz WSEOJLKWCFIYJQ-QWHCGFSZSA-N 0 1 239.290 2.101 20 0 BEADMN COC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451179309 202369596 /nfs/dbraw/zinc/36/95/96/202369596.db2.gz DCGPMOMCEFWDHF-DYEKYZERSA-N 0 1 247.338 2.426 20 0 BEADMN F[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000451182024 202369621 /nfs/dbraw/zinc/36/96/21/202369621.db2.gz GKOUZCNJXHWCIY-GFCCVEGCSA-N 0 1 223.291 2.499 20 0 BEADMN CC(C)SCCN(C(C)C)C1COC1 ZINC000451120133 202358834 /nfs/dbraw/zinc/35/88/34/202358834.db2.gz JNFRQAGKFAFKBY-UHFFFAOYSA-N 0 1 217.378 2.237 20 0 BEADMN COC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451179312 202370536 /nfs/dbraw/zinc/37/05/36/202370536.db2.gz DCGPMOMCEFWDHF-YRGRVCCFSA-N 0 1 247.338 2.426 20 0 BEADMN C[C@H](NCc1cscn1)[C@@H]1CCCCO1 ZINC000309158422 491145708 /nfs/dbraw/zinc/14/57/08/491145708.db2.gz YBLPXTZOWJOSHY-ONGXEEELSA-N 0 1 226.345 2.190 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N(C)CC[C@H](C)F ZINC000451256214 202388931 /nfs/dbraw/zinc/38/89/31/202388931.db2.gz DUENQQUBHVOZHA-WDEREUQCSA-N 0 1 233.327 2.254 20 0 BEADMN Cc1cc(CC(=O)NC23CCC(CC2)CC3)[nH]n1 ZINC000578610815 366607530 /nfs/dbraw/zinc/60/75/30/366607530.db2.gz QVSLRNRDHQEWTP-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN CC1(C)C[N@@H+](CC2(C(=O)[O-])CC2)[C@@H]2CCC[C@H]21 ZINC000578756604 366639905 /nfs/dbraw/zinc/63/99/05/366639905.db2.gz YKAOUDVEWMJUKP-GHMZBOCLSA-N 0 1 237.343 2.362 20 0 BEADMN c1csc([C@@H](N[C@@H]2CC23CC3)c2nnc[nH]2)c1 ZINC000578878852 366664738 /nfs/dbraw/zinc/66/47/38/366664738.db2.gz JCJWWEIMRMDQAH-NXEZZACHSA-N 0 1 246.339 2.098 20 0 BEADMN c1csc([C@H](N[C@@H]2CC23CC3)c2nnc[nH]2)c1 ZINC000578878855 366664851 /nfs/dbraw/zinc/66/48/51/366664851.db2.gz JCJWWEIMRMDQAH-ZJUUUORDSA-N 0 1 246.339 2.098 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000578874766 366665184 /nfs/dbraw/zinc/66/51/84/366665184.db2.gz DNEXETVTHAWWQU-MBHSVXNSSA-N 0 1 237.343 2.363 20 0 BEADMN CC[C@H]1C[C@H](C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090970024 360094802 /nfs/dbraw/zinc/09/48/02/360094802.db2.gz QEMNTCWJRSMAGQ-WOPDTQHZSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@H](C)C[C@H](CC)NCc1ncn(C)n1 ZINC000090970167 360095217 /nfs/dbraw/zinc/09/52/17/360095217.db2.gz CRSHZQGRZPNZPN-QWRGUYRKSA-N 0 1 224.352 2.120 20 0 BEADMN CCOC[C@H](C)NCc1cn2cccc(C)c2n1 ZINC000090045358 360055337 /nfs/dbraw/zinc/05/53/37/360055337.db2.gz CYUHQJYSBNUSNO-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN CCn1cncc1CNCc1cccc(F)c1 ZINC000090170134 360061252 /nfs/dbraw/zinc/06/12/52/360061252.db2.gz VONUETPYZVWNDJ-UHFFFAOYSA-N 0 1 233.290 2.332 20 0 BEADMN CCn1cncc1CNCc1cccc(OC)c1 ZINC000090172173 360061386 /nfs/dbraw/zinc/06/13/86/360061386.db2.gz FDDVQHLRKDMOJM-UHFFFAOYSA-N 0 1 245.326 2.201 20 0 BEADMN Clc1cscc1CN[C@H]1CCOC1 ZINC000306461366 360071130 /nfs/dbraw/zinc/07/11/30/360071130.db2.gz GFLKHZDWBXLCFT-QMMMGPOBSA-N 0 1 217.721 2.280 20 0 BEADMN COc1cncc(CNCC(C)(C)F)c1C ZINC000631188280 360082244 /nfs/dbraw/zinc/08/22/44/360082244.db2.gz AAFVBEFLTXHFLW-UHFFFAOYSA-N 0 1 226.295 2.236 20 0 BEADMN CC(C)CO[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000091964619 360138775 /nfs/dbraw/zinc/13/87/75/360138775.db2.gz TWIUIXLRVJKTJJ-CQSZACIVSA-N 0 1 239.359 2.080 20 0 BEADMN CCCCc1cc(N[C@@H](C)c2nnc[nH]2)ncn1 ZINC000631188717 360131802 /nfs/dbraw/zinc/13/18/02/360131802.db2.gz SIDQVWRWPKCLGC-VIFPVBQESA-N 0 1 246.318 2.110 20 0 BEADMN CCN(Cc1cncs1)C[C@@H]1CCCO1 ZINC000092406988 360170832 /nfs/dbraw/zinc/17/08/32/360170832.db2.gz NUJAMEZDPWDILZ-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN c1cc2c(nc1CNC1CSC1)CCCC2 ZINC000309332945 491148006 /nfs/dbraw/zinc/14/80/06/491148006.db2.gz IFUXKRHIJFBCJT-UHFFFAOYSA-N 0 1 234.368 2.165 20 0 BEADMN CCn1ccnc1CN[C@H]1CCC(F)(F)C1 ZINC000309341966 491148124 /nfs/dbraw/zinc/14/81/24/491148124.db2.gz LHGNFVVVJXRBSM-VIFPVBQESA-N 0 1 229.274 2.180 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093605255 360262771 /nfs/dbraw/zinc/26/27/71/360262771.db2.gz RZMLVDZBTLZJFS-NWDGAFQWSA-N 0 1 237.347 2.045 20 0 BEADMN c1coc(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093690533 360271887 /nfs/dbraw/zinc/27/18/87/360271887.db2.gz LMFXWFYPXFPORZ-CQSZACIVSA-N 0 1 244.294 2.328 20 0 BEADMN Cc1cc(CN[C@H]2CC(C)(C)OC2(C)C)no1 ZINC000094424224 360307621 /nfs/dbraw/zinc/30/76/21/360307621.db2.gz DFJHZOHCKUXOHJ-NSHDSACASA-N 0 1 238.331 2.419 20 0 BEADMN CO[C@]1(C)C[C@H]([N@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871781 360286322 /nfs/dbraw/zinc/28/63/22/360286322.db2.gz VTFHTTNGKASDAO-WCQYABFASA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871781 360286323 /nfs/dbraw/zinc/28/63/23/360286323.db2.gz VTFHTTNGKASDAO-WCQYABFASA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@]1(C)C[C@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093871781 360286325 /nfs/dbraw/zinc/28/63/25/360286325.db2.gz VTFHTTNGKASDAO-WCQYABFASA-N 0 1 237.347 2.045 20 0 BEADMN CCCNC(=O)CNCc1ccc(C2CC2)cc1 ZINC000094518350 360310220 /nfs/dbraw/zinc/31/02/20/360310220.db2.gz ZDTXIPKGPWNYSP-UHFFFAOYSA-N 0 1 246.354 2.180 20 0 BEADMN CCOC[C@H](C)NCc1nc2c(s1)CCC2 ZINC000309419898 491148971 /nfs/dbraw/zinc/14/89/71/491148971.db2.gz DLAAZJFSIBAEFX-VIFPVBQESA-N 0 1 240.372 2.146 20 0 BEADMN Cc1ccc(C)c(NC(=O)N2CC(N(C)C)C2)c1 ZINC000059753462 360422365 /nfs/dbraw/zinc/42/23/65/360422365.db2.gz CEQSTAKRJDYXGC-UHFFFAOYSA-N 0 1 247.342 2.081 20 0 BEADMN Cc1cn[nH]c1CNc1cnn(C(C)C)c1 ZINC000309414176 491148911 /nfs/dbraw/zinc/14/89/11/491148911.db2.gz IZOXJXRVISYUNI-UHFFFAOYSA-N 0 1 219.292 2.108 20 0 BEADMN Cn1ncc(Cl)c1CN[C@@H]1CCC(F)(F)C1 ZINC000309518493 491149790 /nfs/dbraw/zinc/14/97/90/491149790.db2.gz AQYXFBUXKFUTSZ-SSDOTTSWSA-N 0 1 249.692 2.351 20 0 BEADMN Cn1ncc(Cl)c1CN[C@H]1CCC(F)(F)C1 ZINC000309518494 491149793 /nfs/dbraw/zinc/14/97/93/491149793.db2.gz AQYXFBUXKFUTSZ-ZETCQYMHSA-N 0 1 249.692 2.351 20 0 BEADMN NC(=O)c1cnccc1NC1CCCCCC1 ZINC000302044793 181310110 /nfs/dbraw/zinc/31/01/10/181310110.db2.gz JYNIPALSWVQAPO-UHFFFAOYSA-N 0 1 233.315 2.315 20 0 BEADMN C/C=C\CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000629035582 360800682 /nfs/dbraw/zinc/80/06/82/360800682.db2.gz BHFDPJOQHFONLU-KXQLTZBTSA-N 0 1 246.354 2.372 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000063761898 360870293 /nfs/dbraw/zinc/87/02/93/360870293.db2.gz ZFWKUTRNFCZPIP-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@@H]1C[C@@H]1C ZINC000629096741 360876672 /nfs/dbraw/zinc/87/66/72/360876672.db2.gz TVPAVEYFTVFKGD-YUMQZZPRSA-N 0 1 227.333 2.142 20 0 BEADMN Cc1nc2c(n1CCc1cnoc1)CCCC2 ZINC000629183353 360933518 /nfs/dbraw/zinc/93/35/18/360933518.db2.gz JSDNUHBUBCBVTH-UHFFFAOYSA-N 0 1 231.299 2.301 20 0 BEADMN Cc1nc(CSc2nc(C(C)C)c[nH]2)n[nH]1 ZINC000629223076 360956396 /nfs/dbraw/zinc/95/63/96/360956396.db2.gz DJLMZERIEDUMPG-UHFFFAOYSA-N 0 1 237.332 2.252 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1csnn1 ZINC000133405577 491153322 /nfs/dbraw/zinc/15/33/22/491153322.db2.gz GUEIJTWKZUHIDD-SCZZXKLOSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629364385 361007374 /nfs/dbraw/zinc/00/73/74/361007374.db2.gz NEJZIRLWVCEHDG-MFKMUULPSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360970 361009553 /nfs/dbraw/zinc/00/95/53/361009553.db2.gz ZJLTYYKTNKPVQA-SCDSUCTJSA-N 0 1 245.322 2.326 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360969 361009711 /nfs/dbraw/zinc/00/97/11/361009711.db2.gz ZJLTYYKTNKPVQA-QKCSRTOESA-N 0 1 245.322 2.326 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000629362175 361012051 /nfs/dbraw/zinc/01/20/51/361012051.db2.gz OUJYTZQBKRZBTO-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000629363300 361012566 /nfs/dbraw/zinc/01/25/66/361012566.db2.gz DIOSKTOIUXLJKV-GARJFASQSA-N 0 1 213.321 2.074 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCC1CCC1 ZINC000629365802 361019980 /nfs/dbraw/zinc/01/99/80/361019980.db2.gz GIDBGSOCPVQWCM-CYBMUJFWSA-N 0 1 249.310 2.454 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CC1CC=CC1 ZINC000629365759 361020547 /nfs/dbraw/zinc/02/05/47/361020547.db2.gz CWVSQGKRZFUSAH-ZDUSSCGKSA-N 0 1 247.294 2.230 20 0 BEADMN CCCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629373981 361023659 /nfs/dbraw/zinc/02/36/59/361023659.db2.gz RLRZTCYMVDUBPP-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(F)c(CNCC2(O)CCC2)c(F)c1 ZINC000424144509 200866446 /nfs/dbraw/zinc/86/64/46/200866446.db2.gz LINSKLPXYGJDOP-UHFFFAOYSA-N 0 1 241.281 2.278 20 0 BEADMN CCC1(C)CN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000640347864 361067171 /nfs/dbraw/zinc/06/71/71/361067171.db2.gz GTVUVNXPSOGBDN-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(C)C)C1 ZINC000629484406 361090454 /nfs/dbraw/zinc/09/04/54/361090454.db2.gz KFFCQDHUULXEIY-VXGBXAGGSA-N 0 1 227.348 2.464 20 0 BEADMN CC[N@@H+](CC1CC(C)(C)C1)[C@@H](C)C(=O)[O-] ZINC000629490772 361097685 /nfs/dbraw/zinc/09/76/85/361097685.db2.gz YOQJTTXVDGWLLM-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CN[C@@H](CO)CC(F)F)c(F)c1 ZINC000631122473 361110407 /nfs/dbraw/zinc/11/04/07/361110407.db2.gz PZLHNCLCFIWGAX-SNVBAGLBSA-N 0 1 247.260 2.240 20 0 BEADMN CCCC[C@H](C)NCc1nccc(OC)n1 ZINC000424307482 200904940 /nfs/dbraw/zinc/90/49/40/200904940.db2.gz LNTXNOHAQPKWBZ-JTQLQIEISA-N 0 1 223.320 2.154 20 0 BEADMN O=C(CC1CCC1)Nc1cccc2[nH]nnc21 ZINC000640379376 361192273 /nfs/dbraw/zinc/19/22/73/361192273.db2.gz GHCSCHBAGMECLB-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CC=CCC1 ZINC000640381064 361192498 /nfs/dbraw/zinc/19/24/98/361192498.db2.gz GHDYUNBYOLGOLX-SECBINFHSA-N 0 1 242.282 2.253 20 0 BEADMN Cc1nc(CNC[C@@H](C)C(F)(F)F)[nH]c1C ZINC000575003500 361294755 /nfs/dbraw/zinc/29/47/55/361294755.db2.gz OVZFGGPNRLZALM-ZCFIWIBFSA-N 0 1 235.253 2.315 20 0 BEADMN C[C@H](c1ccccc1Cl)N1C[C@H]2C[C@@]2(O)C1 ZINC000640480652 361263909 /nfs/dbraw/zinc/26/39/09/361263909.db2.gz WLWMVEWWHPYBJV-GIPNMCIBSA-N 0 1 237.730 2.468 20 0 BEADMN OC[C@H]1CN(CCCC2CCCCC2)CCO1 ZINC000428286716 201004052 /nfs/dbraw/zinc/00/40/52/201004052.db2.gz LFBRYAUJCIBHGH-CQSZACIVSA-N 0 1 241.375 2.040 20 0 BEADMN CC[C@@H](C)CN(C)Cc1n[nH]c(C(C)C)n1 ZINC000428250029 201004264 /nfs/dbraw/zinc/00/42/64/201004264.db2.gz PLGJYNGRDTUWPA-SNVBAGLBSA-N 0 1 224.352 2.406 20 0 BEADMN CCN(C[C@@H]1CCCO1)[C@H](C)c1cnc(C)cn1 ZINC000428414214 201013621 /nfs/dbraw/zinc/01/36/21/201013621.db2.gz OMRHGEQTECTRJH-OLZOCXBDSA-N 0 1 249.358 2.347 20 0 BEADMN CCc1nc(C)c(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000428428184 201016538 /nfs/dbraw/zinc/01/65/38/201016538.db2.gz VLTDZJFWZJSVSM-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1nc(C)c(CN(C)C[C@H]2CCCO2)o1 ZINC000428428184 201016541 /nfs/dbraw/zinc/01/65/41/201016541.db2.gz VLTDZJFWZJSVSM-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1nc(C)c(CN(CC)CCOC)o1 ZINC000428447044 201018803 /nfs/dbraw/zinc/01/88/03/201018803.db2.gz NJRNDIXVNNYRES-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000309784828 491156471 /nfs/dbraw/zinc/15/64/71/491156471.db2.gz SGJPUKOHBYMERM-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc(CN(CCC(C)C)C2CC2)n[nH]1 ZINC000428473219 201022906 /nfs/dbraw/zinc/02/29/06/201022906.db2.gz LSHHRMHVUHUVHC-UHFFFAOYSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1ccoc1C ZINC000309777022 491156257 /nfs/dbraw/zinc/15/62/57/491156257.db2.gz LXDOVLMJWDDDDX-MRVPVSSYSA-N 0 1 219.288 2.470 20 0 BEADMN CCN(CC)CC(=O)N1CCc2ccc(C)cc21 ZINC000622062102 370686425 /nfs/dbraw/zinc/68/64/25/370686425.db2.gz NZXJWRZZYRFGDW-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN Cc1cccc(CN(C)[C@@H](C)C(=O)N(C)C)c1C ZINC000428710041 201035813 /nfs/dbraw/zinc/03/58/13/201035813.db2.gz IQEXCWZCJUALSN-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1cocn1 ZINC000428849013 201045109 /nfs/dbraw/zinc/04/51/09/201045109.db2.gz JKYPJFNNGGPMCP-OLZOCXBDSA-N 0 1 238.331 2.358 20 0 BEADMN CCc1nc(CN[C@@H](C)c2cc(C)oc2C)n[nH]1 ZINC000162463421 361352399 /nfs/dbraw/zinc/35/23/99/361352399.db2.gz NYAMPQQCGXYWCZ-VIFPVBQESA-N 0 1 248.330 2.428 20 0 BEADMN CC[C@@H]1CCN1Cc1cccnc1OC ZINC000429276015 201088849 /nfs/dbraw/zinc/08/88/49/201088849.db2.gz LXPQTFFJIZAOIU-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000579372341 366772913 /nfs/dbraw/zinc/77/29/13/366772913.db2.gz CGOIUZABTLDTGW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CC[C@H](C)C2)o1 ZINC000429585851 201122202 /nfs/dbraw/zinc/12/22/02/201122202.db2.gz UNZJTTXOKZDGAI-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN CC1(C)CCC[C@@H]1CNCc1csnn1 ZINC000354593802 366803764 /nfs/dbraw/zinc/80/37/64/366803764.db2.gz DUJXCNRRPMIKBE-SECBINFHSA-N 0 1 225.361 2.454 20 0 BEADMN NC1(c2noc(C3CCCC3)n2)CCCC1 ZINC000041052994 181336198 /nfs/dbraw/zinc/33/61/98/181336198.db2.gz YWOVVNDATWUWPJ-UHFFFAOYSA-N 0 1 221.304 2.455 20 0 BEADMN NC1(c2noc(C3CCC3)n2)CCCCC1 ZINC000041053010 181336146 /nfs/dbraw/zinc/33/61/46/181336146.db2.gz MXPVZMMZMWUGRZ-UHFFFAOYSA-N 0 1 221.304 2.455 20 0 BEADMN NC1(c2noc([C@H]3CCCS3)n2)CCCC1 ZINC000070004869 181336172 /nfs/dbraw/zinc/33/61/72/181336172.db2.gz FIWPUZKXDXXURW-MRVPVSSYSA-N 0 1 239.344 2.366 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccc(F)cc1F ZINC000309965323 491158595 /nfs/dbraw/zinc/15/85/95/491158595.db2.gz NCRGKCDZYLOFFD-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN CC(C)COC1CCN(Cc2ccno2)CC1 ZINC000614366469 363795071 /nfs/dbraw/zinc/79/50/71/363795071.db2.gz PXAYPUCGTOYDIN-UHFFFAOYSA-N 0 1 238.331 2.312 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1ncnn1C(C)C ZINC000434545301 201226941 /nfs/dbraw/zinc/22/69/41/201226941.db2.gz VHTDKIFDNBDIMR-RYUDHWBXSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@@H]1CCCN1Cc1ncnn1C(C)C ZINC000434542122 201226966 /nfs/dbraw/zinc/22/69/66/201226966.db2.gz JDLWRTYKEXHARF-LLVKDONJSA-N 0 1 222.336 2.233 20 0 BEADMN CCCN(Cc1ncnn1C(C)C)CC1CC1 ZINC000434545406 201227257 /nfs/dbraw/zinc/22/72/57/201227257.db2.gz WUEASVMHGGEUEA-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN Cc1cocc1-c1nc([C@@H]2CCCN2)no1 ZINC000629675443 361598333 /nfs/dbraw/zinc/59/83/33/361598333.db2.gz SOYLQMNYKHMCQZ-VIFPVBQESA-N 0 1 219.244 2.063 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1ncnn1C(C)C ZINC000434487648 201221272 /nfs/dbraw/zinc/22/12/72/201221272.db2.gz XNZDGHDRWGNCIK-NWDGAFQWSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)C ZINC000153246379 201228350 /nfs/dbraw/zinc/22/83/50/201228350.db2.gz KHMHIBZFBSNAMX-FRRDWIJNSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000153861108 201251226 /nfs/dbraw/zinc/25/12/26/201251226.db2.gz YFLWDJPGSHYQCO-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](SCc1nn[nH]n1)c1ccc(F)cc1 ZINC000435231627 201255625 /nfs/dbraw/zinc/25/56/25/201255625.db2.gz XUJOLQYFWMXFEZ-SSDOTTSWSA-N 0 1 238.291 2.333 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccc(N)cc2)n1 ZINC000435907765 201298710 /nfs/dbraw/zinc/29/87/10/201298710.db2.gz QPOMJIUJCVBYIG-NSHDSACASA-N 0 1 246.314 2.365 20 0 BEADMN CC1=CCCN([C@H](C)C(=O)NCCC(C)C)C1 ZINC000436256557 201315893 /nfs/dbraw/zinc/31/58/93/201315893.db2.gz BBUFAQWAZOJHSM-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN CC1=CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000436266084 201316107 /nfs/dbraw/zinc/31/61/07/201316107.db2.gz ZGGVNUKZPFUOPG-QGZVFWFLSA-N 0 1 249.379 2.446 20 0 BEADMN CC(C)[N@@H+](C)CCN[C@@H](C)c1cncc(F)c1 ZINC000155779038 201352867 /nfs/dbraw/zinc/35/28/67/201352867.db2.gz DCXMCFCJVBOPDI-NSHDSACASA-N 0 1 239.338 2.212 20 0 BEADMN Cn1cc(CNCCF)c(-c2ccccc2)n1 ZINC000437263269 201348967 /nfs/dbraw/zinc/34/89/67/201348967.db2.gz SCQNFFZQNLUSIX-UHFFFAOYSA-N 0 1 233.290 2.146 20 0 BEADMN Cc1cnc(C(C)(C)N[C@@H]2CCCOC2)s1 ZINC000134277620 491162869 /nfs/dbraw/zinc/16/28/69/491162869.db2.gz AOFRKEIPTZMMAF-SNVBAGLBSA-N 0 1 240.372 2.455 20 0 BEADMN CCc1nc(CNC[C@H]2CC[C@H](C)O2)cs1 ZINC000328221800 363858576 /nfs/dbraw/zinc/85/85/76/363858576.db2.gz LSNGJQQZUUAENB-GXSJLCMTSA-N 0 1 240.372 2.363 20 0 BEADMN CC(C)OCCNCc1nn(C)c2ccccc12 ZINC000168951484 541308028 /nfs/dbraw/zinc/30/80/28/541308028.db2.gz KXYGYLZICWSKPJ-UHFFFAOYSA-N 0 1 247.342 2.088 20 0 BEADMN CC[C@@](C)(NC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC000618956485 364023091 /nfs/dbraw/zinc/02/30/91/364023091.db2.gz KHLOEKQJNFQATN-CQSZACIVSA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@H](NC(=O)CN(C)C)c1ccc(C)cc1 ZINC000170710520 364043773 /nfs/dbraw/zinc/04/37/73/364043773.db2.gz QHRMIKOXHJMMIK-ZDUSSCGKSA-N 0 1 234.343 2.124 20 0 BEADMN CC/C=C\CCN1CC[S@](=O)CC[C@@H]1C ZINC000617907298 364083679 /nfs/dbraw/zinc/08/36/79/364083679.db2.gz WAYOGBJSMYFURJ-WBBZJUAJSA-N 0 1 229.389 2.186 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1cc(F)ccn1 ZINC000622152291 370737395 /nfs/dbraw/zinc/73/73/95/370737395.db2.gz DUCLXAWJPPNQDG-UHFFFAOYSA-N 0 1 248.261 2.320 20 0 BEADMN CC[N@@H+](CCCC(=O)OC)Cc1ccoc1 ZINC000116390691 370767567 /nfs/dbraw/zinc/76/75/67/370767567.db2.gz QRQSWCWAAITAPE-UHFFFAOYSA-N 0 1 225.288 2.055 20 0 BEADMN Cc1ccc(C)c(OCCn2ccnc2CN)c1 ZINC000630584007 364289757 /nfs/dbraw/zinc/28/97/57/364289757.db2.gz MIKLXQOIGWPOPW-UHFFFAOYSA-N 0 1 245.326 2.038 20 0 BEADMN CCc1ccccc1CCn1ccnc1CN ZINC000630584494 364290141 /nfs/dbraw/zinc/29/01/41/364290141.db2.gz ZTHOEEHJQMEQPK-UHFFFAOYSA-N 0 1 229.327 2.147 20 0 BEADMN Cc1cc(C)c(C(=O)NCc2cn[nH]c2C)s1 ZINC000630692605 364458591 /nfs/dbraw/zinc/45/85/91/364458591.db2.gz VNLOWOQHNVHMSN-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN C[C@H](CNCc1cscn1)c1nccs1 ZINC000134987666 364422533 /nfs/dbraw/zinc/42/25/33/364422533.db2.gz HGRVAONUSIZRPI-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN CCC[C@@H](CN[C@H](CC)c1ccn(C)n1)OC ZINC000453261201 202723437 /nfs/dbraw/zinc/72/34/37/202723437.db2.gz YTVBNPMYNJIDFP-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@@H]1CN(Cc2cnoc2C)CCS1 ZINC000181725838 366842676 /nfs/dbraw/zinc/84/26/76/366842676.db2.gz ORUGJYZBTFQVDX-LLVKDONJSA-N 0 1 226.345 2.310 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000246741104 364608999 /nfs/dbraw/zinc/60/89/99/364608999.db2.gz GOQIHQZXOJCTEI-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](CC)CC1 ZINC000246920779 364615236 /nfs/dbraw/zinc/61/52/36/364615236.db2.gz BGRGSVNMVPVRPK-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cccc(F)c1 ZINC000615223376 364644510 /nfs/dbraw/zinc/64/45/10/364644510.db2.gz JCGWYVQIISVOAF-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN CC(C)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250604317 364657669 /nfs/dbraw/zinc/65/76/69/364657669.db2.gz UXFXVRNWLKUICM-UTUOFQBUSA-N 0 1 225.332 2.360 20 0 BEADMN CSCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000167577457 364796979 /nfs/dbraw/zinc/79/69/79/364796979.db2.gz PJDAOHZAXUGNHA-QMMMGPOBSA-N 0 1 243.328 2.334 20 0 BEADMN COC[C@H](CC(C)(C)C)NCc1ccon1 ZINC000651728932 541377850 /nfs/dbraw/zinc/37/78/50/541377850.db2.gz QGDIXDNRFDBCQS-NSHDSACASA-N 0 1 226.320 2.215 20 0 BEADMN CCc1nc(CNCc2ccc(C)cc2C)n[nH]1 ZINC000296106703 364782648 /nfs/dbraw/zinc/78/26/48/364782648.db2.gz SEVRXWJTOQHTLU-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN C[C@@H](CNCc1cnccn1)Oc1ccccc1 ZINC000573302875 364792584 /nfs/dbraw/zinc/79/25/84/364792584.db2.gz VVSGQPBCKDOPCW-LBPRGKRZSA-N 0 1 243.310 2.034 20 0 BEADMN CO[C@@H](C)Cn1c(C)nc2c1CCCC2 ZINC000167421721 364792915 /nfs/dbraw/zinc/79/29/15/364792915.db2.gz OUYKHGJLRANQQT-VIFPVBQESA-N 0 1 208.305 2.105 20 0 BEADMN C[C@]1(F)CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000573375990 364814361 /nfs/dbraw/zinc/81/43/61/364814361.db2.gz DPWIXQGUHJJGJP-XQQFMLRXSA-N 0 1 229.339 2.362 20 0 BEADMN CCN1C(=O)N=NC1SCc1ccsc1 ZINC000573386853 364821146 /nfs/dbraw/zinc/82/11/46/364821146.db2.gz RJBLBYMRFLTVTO-UHFFFAOYSA-N 0 1 241.341 2.357 20 0 BEADMN CC(C)c1noc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573451383 364836581 /nfs/dbraw/zinc/83/65/81/364836581.db2.gz BYVBFGYKQZUNRM-VWYCJHECSA-N 0 1 235.331 2.471 20 0 BEADMN CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000573626821 364880025 /nfs/dbraw/zinc/88/00/25/364880025.db2.gz YGELUYDOMMLASO-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nnsc1CN(C)[C@@H](C)C(C)C ZINC000573763600 364911011 /nfs/dbraw/zinc/91/10/11/364911011.db2.gz YIBDEMJBUDDKER-VIFPVBQESA-N 0 1 213.350 2.323 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1CCCC1(F)F ZINC000573864766 364934989 /nfs/dbraw/zinc/93/49/89/364934989.db2.gz ZHXPWDVCASTCHQ-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCc1ccc(CN2CCCOCC2)o1 ZINC000334395333 541413511 /nfs/dbraw/zinc/41/35/11/541413511.db2.gz BQDYYCLDCXCMQT-UHFFFAOYSA-N 0 1 209.289 2.064 20 0 BEADMN CCn1cccc1CNC1(CF)CCC1 ZINC000573966925 364956451 /nfs/dbraw/zinc/95/64/51/364956451.db2.gz BEDWGNDIRNELHW-UHFFFAOYSA-N 0 1 210.296 2.490 20 0 BEADMN FCC(CF)NCC1Cc2ccccc2C1 ZINC000574127040 364991322 /nfs/dbraw/zinc/99/13/22/364991322.db2.gz UNQYDYASHARJMV-UHFFFAOYSA-N 0 1 225.282 2.299 20 0 BEADMN COCCCCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000574173988 365004216 /nfs/dbraw/zinc/00/42/16/365004216.db2.gz UGEANULKSKYLDF-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN Cc1nc2cc(N[C@@H](C)[C@H](C)O)ccc2n1C ZINC000574192770 365008180 /nfs/dbraw/zinc/00/81/80/365008180.db2.gz LBSOCQMCZGQPRV-IUCAKERBSA-N 0 1 233.315 2.063 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cc(C(C)=O)no1 ZINC000574216746 365012819 /nfs/dbraw/zinc/01/28/19/365012819.db2.gz DHDNNMMKPYCSAI-GXSJLCMTSA-N 0 1 236.315 2.498 20 0 BEADMN CCC(CC)CNC(=O)CN(CC)C1CC1 ZINC000152238280 541450888 /nfs/dbraw/zinc/45/08/88/541450888.db2.gz AHNUCQBTKVYQJD-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1C[C@@H](NCc2noc3ccccc32)[C@H](C)O1 ZINC000574464442 365069481 /nfs/dbraw/zinc/06/94/81/365069481.db2.gz JHEMAIOBXOTSLF-JFGNBEQYSA-N 0 1 246.310 2.483 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccc(OC)cc1F ZINC000574524797 365083083 /nfs/dbraw/zinc/08/30/83/365083083.db2.gz LELOXWCUGYTRQT-STQMWFEESA-N 0 1 239.290 2.101 20 0 BEADMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1nccs1 ZINC000443307597 193016406 /nfs/dbraw/zinc/01/64/06/193016406.db2.gz IFBIVGOJWRPPRP-OUAUKWLOSA-N 0 1 240.372 2.124 20 0 BEADMN O=C(NC[C@@H]1CC12CC2)c1cccc2nc[nH]c21 ZINC000575024325 365173209 /nfs/dbraw/zinc/17/32/09/365173209.db2.gz KROIBJWNVBHVAW-VIFPVBQESA-N 0 1 241.294 2.093 20 0 BEADMN CC(C)(C)c1n[nH]c(SCCC2(O)CC2)n1 ZINC000442905512 193004030 /nfs/dbraw/zinc/00/40/30/193004030.db2.gz DRXQWCHZFRNUDO-UHFFFAOYSA-N 0 1 241.360 2.109 20 0 BEADMN CC(C)(C)c1nc(SCCC2(O)CC2)n[nH]1 ZINC000442905512 193004033 /nfs/dbraw/zinc/00/40/33/193004033.db2.gz DRXQWCHZFRNUDO-UHFFFAOYSA-N 0 1 241.360 2.109 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1C[C@H](C)CC(C)(C)C1 ZINC000574766313 365139910 /nfs/dbraw/zinc/13/99/10/365139910.db2.gz GKHSEGBWQFBMCE-MNOVXSKESA-N 0 1 248.374 2.318 20 0 BEADMN CCC1(CNC(=O)c2coc(CN)c2)CCC1 ZINC000444115636 193034620 /nfs/dbraw/zinc/03/46/20/193034620.db2.gz MYUFNPZIYRFXIX-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CN(CCO[C@H]1CCCCO1)Cc1ccoc1 ZINC000444592698 193052437 /nfs/dbraw/zinc/05/24/37/193052437.db2.gz GQLJKWFBGSOXNK-ZDUSSCGKSA-N 0 1 239.315 2.255 20 0 BEADMN CCC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)[O-] ZINC000575188062 365235323 /nfs/dbraw/zinc/23/53/23/365235323.db2.gz INWSUNXXFSEIEB-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN CC/C=C\CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000575412593 365313640 /nfs/dbraw/zinc/31/36/40/365313640.db2.gz GRDKJFQHYUJZCK-BYCRGOAPSA-N 0 1 211.305 2.282 20 0 BEADMN CN(Cc1cn2c(n1)CCCC2)CC1(C)CC1 ZINC000575734278 365346469 /nfs/dbraw/zinc/34/64/69/365346469.db2.gz MZZJAZLURODTKQ-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN CC(C)[C@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000172554635 365341132 /nfs/dbraw/zinc/34/11/32/365341132.db2.gz VAYHCRWHRCVKPO-STQMWFEESA-N 0 1 240.391 2.077 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1cnn(C)c1 ZINC000172905419 365387702 /nfs/dbraw/zinc/38/77/02/365387702.db2.gz FJFVKEVSDIOULB-LBPRGKRZSA-N 0 1 241.338 2.367 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000575929241 365418952 /nfs/dbraw/zinc/41/89/52/365418952.db2.gz UJCDDRLQRNOKRQ-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CC[N@@H+](CCc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000575874578 365401004 /nfs/dbraw/zinc/40/10/04/365401004.db2.gz DRNXHJAPTZFXHU-AWEZNQCLSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(C2CC2)nn1C ZINC000575919427 365413265 /nfs/dbraw/zinc/41/32/65/365413265.db2.gz FTFQQPJTSZPZAK-CMPLNLGQSA-N 0 1 248.374 2.455 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)[O-])C1 ZINC000082501683 541460660 /nfs/dbraw/zinc/46/06/60/541460660.db2.gz STKRXBDDNUZZOM-MRVPVSSYSA-N 0 1 225.313 2.288 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000579602623 366901468 /nfs/dbraw/zinc/90/14/68/366901468.db2.gz LGRBRKIFRBZEMG-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CC=CC1 ZINC000154651279 541472033 /nfs/dbraw/zinc/47/20/33/541472033.db2.gz HLIBMJMQYYPEJC-UHFFFAOYSA-N 0 1 233.315 2.290 20 0 BEADMN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ncc[nH]1 ZINC000353634165 541484273 /nfs/dbraw/zinc/48/42/73/541484273.db2.gz UROHPQWJYYQBIM-PWSUYJOCSA-N 0 1 243.310 2.064 20 0 BEADMN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ncc[nH]1 ZINC000353634166 541484595 /nfs/dbraw/zinc/48/45/95/541484595.db2.gz UROHPQWJYYQBIM-ZYHUDNBSSA-N 0 1 243.310 2.064 20 0 BEADMN CC[C@H]1CCC[C@@H](CN(C)CC(=O)OC)C1 ZINC000182994743 366965169 /nfs/dbraw/zinc/96/51/69/366965169.db2.gz FAFMVFRLKGMTIP-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN CO[C@H](CN[C@@H](C)c1nccn1C)C(C)(C)C ZINC000183057232 366970551 /nfs/dbraw/zinc/97/05/51/366970551.db2.gz XTWNZZYGHGGXPP-WDEREUQCSA-N 0 1 239.363 2.132 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000579850442 367050202 /nfs/dbraw/zinc/05/02/02/367050202.db2.gz XNCSKPGEHUEJNP-GHMZBOCLSA-N 0 1 237.347 2.235 20 0 BEADMN CCCN(Cc1cn(C(C)C)nn1)C(C)C ZINC000579850396 367050604 /nfs/dbraw/zinc/05/06/04/367050604.db2.gz WFDLMXBPUZIHSI-UHFFFAOYSA-N 0 1 224.352 2.479 20 0 BEADMN CCN([C@H](C)Cc1ccsc1)C1COC1 ZINC000579917692 367080324 /nfs/dbraw/zinc/08/03/24/367080324.db2.gz KNQGQQXNXYIHQF-SNVBAGLBSA-N 0 1 225.357 2.400 20 0 BEADMN NC(=O)c1cnccc1NCCC1CCCC1 ZINC000184049084 367061715 /nfs/dbraw/zinc/06/17/15/367061715.db2.gz BCMHEYISPPRAHW-UHFFFAOYSA-N 0 1 233.315 2.173 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2c1cccc2F ZINC000184299738 367072015 /nfs/dbraw/zinc/07/20/15/367072015.db2.gz NFJKZNZKWAUAEQ-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nc(C2CC2)nn1C ZINC000580772211 367161222 /nfs/dbraw/zinc/16/12/22/367161222.db2.gz WTZDXLBFNINHHE-ZYHUDNBSSA-N 0 1 248.374 2.313 20 0 BEADMN CC1(C)[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3ccccc3)C[C@@H]21 ZINC000380387389 367196334 /nfs/dbraw/zinc/19/63/34/367196334.db2.gz ZNNKYYDTCAORHH-FRRDWIJNSA-N 0 1 245.322 2.400 20 0 BEADMN CCN(CC(=O)NCCCC(C)C)C1CC1 ZINC000194159894 367260262 /nfs/dbraw/zinc/26/02/62/367260262.db2.gz JCRUZHZZZQENHR-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCCC[C@H](SC)C1 ZINC000581374991 367405996 /nfs/dbraw/zinc/40/59/96/367405996.db2.gz KRSWKXAHNXTFKE-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000381548984 367428590 /nfs/dbraw/zinc/42/85/90/367428590.db2.gz UERIMWBYRLBSKF-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CCCC1(F)F)C(=O)[O-] ZINC000381548166 367428611 /nfs/dbraw/zinc/42/86/11/367428611.db2.gz FMSSNORFJUWFMI-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381550652 367428919 /nfs/dbraw/zinc/42/89/19/367428919.db2.gz UOGGKGNFDBNATK-NXEZZACHSA-N 0 1 247.285 2.218 20 0 BEADMN CC[N@@H+](Cc1cccs1)CC1(C(=O)[O-])CC1 ZINC000581435016 367469966 /nfs/dbraw/zinc/46/99/66/367469966.db2.gz XHCAHEUZSVLSNJ-UHFFFAOYSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1csc(CNCc2ccc(CO)o2)c1 ZINC000382162601 367491436 /nfs/dbraw/zinc/49/14/36/367491436.db2.gz IOSCUQOGDPIADQ-UHFFFAOYSA-N 0 1 237.324 2.432 20 0 BEADMN FC(F)n1ccnc1CNC1(C2CC2)CC1 ZINC000381621625 367440104 /nfs/dbraw/zinc/44/01/04/367440104.db2.gz CHUIQMDAJOYEDN-UHFFFAOYSA-N 0 1 227.258 2.310 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cccc(F)c1F ZINC000381772983 367457062 /nfs/dbraw/zinc/45/70/62/367457062.db2.gz WLGZGZCGXWZQMC-QWRGUYRKSA-N 0 1 227.254 2.232 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC=C(C)CC1 ZINC000382527611 367534039 /nfs/dbraw/zinc/53/40/39/367534039.db2.gz COQPEWDMFSGBJS-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cccc(C)c1F ZINC000581528998 367550701 /nfs/dbraw/zinc/55/07/01/367550701.db2.gz VRPGHNGFHXDQLI-RYUDHWBXSA-N 0 1 223.291 2.401 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000581544388 367570066 /nfs/dbraw/zinc/57/00/66/367570066.db2.gz FEVTWPWYMNNCPY-JGPRNRPPSA-N 0 1 247.342 2.370 20 0 BEADMN CC(C)n1cncc1CNCc1cccc(O)c1 ZINC000383941069 367661098 /nfs/dbraw/zinc/66/10/98/367661098.db2.gz LRFGMCJMWHAKGI-UHFFFAOYSA-N 0 1 245.326 2.459 20 0 BEADMN C[C@H](CC(C)(C)C)NCc1csnn1 ZINC000384497716 367693734 /nfs/dbraw/zinc/69/37/34/367693734.db2.gz BJBNQNXRAAABDG-MRVPVSSYSA-N 0 1 213.350 2.452 20 0 BEADMN CC/C=C\CN[C@H](C)c1nccnc1C ZINC000384710079 367719512 /nfs/dbraw/zinc/71/95/12/367719512.db2.gz DFIXXVLNWJIXFH-WWQCOOJYSA-N 0 1 205.305 2.402 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000384892854 367751797 /nfs/dbraw/zinc/75/17/97/367751797.db2.gz YTMXYQIZJLLVFH-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](C)O[C@@H]2C)sc1C ZINC000384904103 367754920 /nfs/dbraw/zinc/75/49/20/367754920.db2.gz NUTHBSKXASFRFU-JVUFJMBOSA-N 0 1 240.372 2.415 20 0 BEADMN CC(C)n1ccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000384927460 367758469 /nfs/dbraw/zinc/75/84/69/367758469.db2.gz RYDAEDRCRHRVHJ-WZRBSPASSA-N 0 1 237.347 2.120 20 0 BEADMN CC/C=C\CN=c1nc[nH]c2ccsc21 ZINC000384934026 367760218 /nfs/dbraw/zinc/76/02/18/367760218.db2.gz SVQHYPDVQHTJSQ-ARJAWSKDSA-N 0 1 219.313 2.491 20 0 BEADMN c1n[nH]nc1SCc1cccc2c1CCOC2 ZINC000631010955 370878722 /nfs/dbraw/zinc/87/87/22/370878722.db2.gz MTLMXVOSVPEHCD-UHFFFAOYSA-N 0 1 247.323 2.170 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000385132264 367798251 /nfs/dbraw/zinc/79/82/51/367798251.db2.gz LCZXILMSNFJGQM-DVVUODLYSA-N 0 1 238.331 2.201 20 0 BEADMN Cc1csc(CN[C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC000385208994 367809457 /nfs/dbraw/zinc/80/94/57/367809457.db2.gz RNWFRHHRLAAKMQ-LPEHRKFASA-N 0 1 226.345 2.107 20 0 BEADMN CC(=O)c1cc(CN(C)[C@@H](C)C(C)C)on1 ZINC000581764365 367817734 /nfs/dbraw/zinc/81/77/34/367817734.db2.gz HCWBMZWUWHITPS-VIFPVBQESA-N 0 1 224.304 2.354 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581834616 367838781 /nfs/dbraw/zinc/83/87/81/367838781.db2.gz UTEHFKZPPVJFOX-QKCSRTOESA-N 0 1 249.358 2.139 20 0 BEADMN CCCCCCNC(=O)c1ccc2[nH]nnc2c1 ZINC000024462781 368003769 /nfs/dbraw/zinc/00/37/69/368003769.db2.gz OAPUOXVGTUXYQT-UHFFFAOYSA-N 0 1 246.314 2.268 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1ccno1 ZINC000581929580 367951523 /nfs/dbraw/zinc/95/15/23/367951523.db2.gz URKVGIVKYMTLRS-NSHDSACASA-N 0 1 224.304 2.066 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1Cc2ccccc2C1)C(=O)[O-] ZINC000581931186 367956889 /nfs/dbraw/zinc/95/68/89/367956889.db2.gz KYCGSAWLEQQRQN-NSHDSACASA-N 0 1 247.338 2.054 20 0 BEADMN Cc1cc(C)c(C(=O)Nc2nnc(C)[nH]2)s1 ZINC000630924980 367964345 /nfs/dbraw/zinc/96/43/45/367964345.db2.gz ZAPCGJZTBBFXCU-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1n[nH]c(NC(=O)c2sc(C)cc2C)n1 ZINC000630924980 367964349 /nfs/dbraw/zinc/96/43/49/367964349.db2.gz ZAPCGJZTBBFXCU-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN COc1ccc(CNC2(CF)CCC2)cc1O ZINC000581943113 367970148 /nfs/dbraw/zinc/97/01/48/367970148.db2.gz OPKHYXGPDMIHLX-UHFFFAOYSA-N 0 1 239.290 2.383 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C)N(C)C)cc1 ZINC000015258388 368062198 /nfs/dbraw/zinc/06/21/98/368062198.db2.gz UKODABRHMMJDGF-SNVBAGLBSA-N 0 1 220.316 2.138 20 0 BEADMN CC[C@H](NCc1c(F)cccc1F)[C@H](C)O ZINC000386785915 368022184 /nfs/dbraw/zinc/02/21/84/368022184.db2.gz NIMOQEMIJWJVTA-UFBFGSQYSA-N 0 1 229.270 2.214 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1CC12CCCC2 ZINC000386843604 368027553 /nfs/dbraw/zinc/02/75/53/368027553.db2.gz BLVNISQYSRUCSG-LLVKDONJSA-N 0 1 249.310 2.489 20 0 BEADMN CC(C)(C)n1cc(CN[C@H]2CC23CCCC3)nn1 ZINC000386866268 368029934 /nfs/dbraw/zinc/02/99/34/368029934.db2.gz GHENBANTLJHFTF-LBPRGKRZSA-N 0 1 248.374 2.455 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2C)CCN1 ZINC000582001458 368118325 /nfs/dbraw/zinc/11/83/25/368118325.db2.gz SEMUMFZKWUKFHS-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(C(=O)N(C)Cc2cccs2)n[nH]1 ZINC000032346002 368256158 /nfs/dbraw/zinc/25/61/58/368256158.db2.gz GAABMLSVGZSSHJ-UHFFFAOYSA-N 0 1 249.339 2.306 20 0 BEADMN C=C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399583139 368276781 /nfs/dbraw/zinc/27/67/81/368276781.db2.gz NZUXWGOGYGENTM-NXEZZACHSA-N 0 1 213.321 2.240 20 0 BEADMN CC(C)[C@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789186 368305135 /nfs/dbraw/zinc/30/51/35/368305135.db2.gz GXVFBELXJQADKJ-JTQLQIEISA-N 0 1 245.326 2.471 20 0 BEADMN CCCCN1CCN(c2nc(C)cs2)CC1 ZINC000061159089 368559996 /nfs/dbraw/zinc/55/99/96/368559996.db2.gz JFSHLSZAKODLQF-UHFFFAOYSA-N 0 1 239.388 2.374 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCCC[C@@H]1C ZINC000061758342 368568525 /nfs/dbraw/zinc/56/85/25/368568525.db2.gz YPVOQQRYTLCMCK-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](c1ccc(Cl)cc1)N(C)CC(N)=O ZINC000063742572 368595841 /nfs/dbraw/zinc/59/58/41/368595841.db2.gz FOQMIXVXZMUZGL-NSHDSACASA-N 0 1 240.734 2.208 20 0 BEADMN C[C@H]1CN(C)CCN1c1nc2ccccc2s1 ZINC000067448427 368690066 /nfs/dbraw/zinc/69/00/66/368690066.db2.gz NSHKAMZTGDVYHV-JTQLQIEISA-N 0 1 247.367 2.437 20 0 BEADMN CC[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557247 368693594 /nfs/dbraw/zinc/69/35/94/368693594.db2.gz LFWGZDDFNJPRGL-IONNQARKSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2ncccn2)C[C@@H]1C ZINC000082846426 368718370 /nfs/dbraw/zinc/71/83/70/368718370.db2.gz AEWRVAOEHHGODD-GRYCIOLGSA-N 0 1 219.332 2.391 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1ccc(F)c(F)c1O ZINC000457285655 203032998 /nfs/dbraw/zinc/03/29/98/203032998.db2.gz DEDAHJLKTCRIFT-MRVPVSSYSA-N 0 1 245.225 2.034 20 0 BEADMN CCN(Cc1occc1C(=O)OC)CC1CC1 ZINC000070012547 368760605 /nfs/dbraw/zinc/76/06/05/368760605.db2.gz YRCHSPLDHBJRGV-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(F)cc1F ZINC000070944165 368768930 /nfs/dbraw/zinc/76/89/30/368768930.db2.gz AUGPGXAMXYNJFV-UHFFFAOYSA-N 0 1 242.269 2.244 20 0 BEADMN CC[C@@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071039375 368770584 /nfs/dbraw/zinc/77/05/84/368770584.db2.gz QHGJRDKVIGVAFM-SNVBAGLBSA-N 0 1 244.298 2.252 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cccnc1C ZINC000073349784 368803297 /nfs/dbraw/zinc/80/32/97/368803297.db2.gz QCJIAFNQSFNYGW-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN COC(=O)c1occc1CN(C)[C@H](C)C1CC1 ZINC000073780014 368815776 /nfs/dbraw/zinc/81/57/76/368815776.db2.gz QWGXGWZANXTYJD-SECBINFHSA-N 0 1 237.299 2.297 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CC2CC2)n1 ZINC000074154746 368831448 /nfs/dbraw/zinc/83/14/48/368831448.db2.gz TWPWXRJMGVIASB-SECBINFHSA-N 0 1 209.293 2.068 20 0 BEADMN CC(C)(C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000074143249 368831635 /nfs/dbraw/zinc/83/16/35/368831635.db2.gz GRXDPFOMIXVKPQ-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN CCn1cc(CN(C)[C@H]2C=CCCC2)cn1 ZINC000072989093 368788420 /nfs/dbraw/zinc/78/84/20/368788420.db2.gz QUUJZACZEOKWMW-ZDUSSCGKSA-N 0 1 219.332 2.444 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000086726630 368883804 /nfs/dbraw/zinc/88/38/04/368883804.db2.gz WSQVFLKJMOMCCV-LBPRGKRZSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000086762508 368885129 /nfs/dbraw/zinc/88/51/29/368885129.db2.gz UUSKPTHHPHELRM-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1C ZINC000086803393 368885210 /nfs/dbraw/zinc/88/52/10/368885210.db2.gz FXFBOLSCZRZGOE-GFCCVEGCSA-N 0 1 239.290 2.429 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc2ccccc2o1 ZINC000086775042 368885397 /nfs/dbraw/zinc/88/53/97/368885397.db2.gz FLIXDFXAUFHDSR-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN CC(C)CC[C@@H](CO)NCc1cscn1 ZINC000623646715 368968510 /nfs/dbraw/zinc/96/85/10/368968510.db2.gz OCYZQXXQBGVQNU-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN COc1ccc(N(C)C(=O)c2cn[nH]c2C)cc1 ZINC000080045458 368953150 /nfs/dbraw/zinc/95/31/50/368953150.db2.gz JMXXZVOKZNRTJN-UHFFFAOYSA-N 0 1 245.282 2.003 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1[C@H](C)CCC1(C)C ZINC000616179037 369011511 /nfs/dbraw/zinc/01/15/11/369011511.db2.gz MIXAIYFGETYBTA-GHMZBOCLSA-N 0 1 249.358 2.378 20 0 BEADMN O=C(CCCF)Nc1ccc(F)c(F)c1O ZINC000616194819 369025288 /nfs/dbraw/zinc/02/52/88/369025288.db2.gz BWGARAYAOHCOCS-UHFFFAOYSA-N 0 1 233.189 2.359 20 0 BEADMN C[C@H](CNC(=O)[C@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000457511920 203069587 /nfs/dbraw/zinc/06/95/87/203069587.db2.gz GXTJBJYCGVSLJJ-GHMZBOCLSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000155349168 326193056 /nfs/dbraw/zinc/19/30/56/326193056.db2.gz RLZGDJLQJSNLEO-SNVBAGLBSA-N 0 1 221.304 2.062 20 0 BEADMN COC(=O)c1cccc(CN2CCC[C@@H](C)C2)n1 ZINC000618524677 369167364 /nfs/dbraw/zinc/16/73/64/369167364.db2.gz IETRBMSWFADMDG-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN CCC[C@@H](NC(=O)[C@@H]1CCCN1C)C1CCC1 ZINC000458348740 203165301 /nfs/dbraw/zinc/16/53/01/203165301.db2.gz YZMRYVYMQXYYRK-OLZOCXBDSA-N 0 1 238.375 2.166 20 0 BEADMN CCCN(CC(=O)OCC)CC1(C)CC1 ZINC000618809475 369219801 /nfs/dbraw/zinc/21/98/01/369219801.db2.gz TXCISRAQDKOCNP-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC/C=C/CC[N@H+](CC(=O)[O-])CC(C)C ZINC000567596115 326225070 /nfs/dbraw/zinc/22/50/70/326225070.db2.gz XYUGYKHIYFFEIY-AATRIKPKSA-N 0 1 213.321 2.385 20 0 BEADMN COCc1cc(CN2CCC[C@H]2C(C)C)no1 ZINC000459304902 203253170 /nfs/dbraw/zinc/25/31/70/203253170.db2.gz PMMACXWNCCYQOA-ZDUSSCGKSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN[C@@H](C)CC2CC2)no1 ZINC000459402639 203273779 /nfs/dbraw/zinc/27/37/79/203273779.db2.gz ATACGFWYLJGUIX-VIFPVBQESA-N 0 1 224.304 2.099 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)C2(N(C)C)CC2)C1 ZINC000619129435 369290687 /nfs/dbraw/zinc/29/06/87/369290687.db2.gz SRDVVEPBKPHRMP-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COCc1cc(CN2CCC[C@H](C)CC2)no1 ZINC000459332142 203257435 /nfs/dbraw/zinc/25/74/35/203257435.db2.gz XKLFFOYENZYGGY-NSHDSACASA-N 0 1 238.331 2.443 20 0 BEADMN COCc1cc(CN2[C@@H](C)CC[C@@H]2C)no1 ZINC000459365658 203263086 /nfs/dbraw/zinc/26/30/86/203263086.db2.gz XHJYJZCBUWFOIQ-UWVGGRQHSA-N 0 1 224.304 2.194 20 0 BEADMN CN(Cc1nnc[nH]1)CC1CCC(F)(F)CC1 ZINC000459353030 203264531 /nfs/dbraw/zinc/26/45/31/203264531.db2.gz YUCDYSZQKDUCGI-UHFFFAOYSA-N 0 1 244.289 2.062 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H]1C ZINC000459358655 203268547 /nfs/dbraw/zinc/26/85/47/203268547.db2.gz NAVMVYHAHXKYPT-UWVGGRQHSA-N 0 1 247.342 2.290 20 0 BEADMN Cc1cc(CNCC[C@H]2CCO[C@@H](C)C2)no1 ZINC000459488398 203290105 /nfs/dbraw/zinc/29/01/05/203290105.db2.gz UQSQXQHEKLHSCB-JQWIXIFHSA-N 0 1 238.331 2.278 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1ccc(C2CC2)cc1 ZINC000459507131 203294372 /nfs/dbraw/zinc/29/43/72/203294372.db2.gz INNWCBNXBQCDIX-GJZGRUSLSA-N 0 1 249.329 2.469 20 0 BEADMN COCc1cc(CN[C@@H]2CCCC2(C)C)no1 ZINC000459419227 203278355 /nfs/dbraw/zinc/27/83/55/203278355.db2.gz DNZYKYDOFZSUGK-GFCCVEGCSA-N 0 1 238.331 2.489 20 0 BEADMN COCc1cc(CNCC2(C(C)C)CC2)no1 ZINC000459433864 203281125 /nfs/dbraw/zinc/28/11/25/203281125.db2.gz UEPWPNJDOJYWKH-UHFFFAOYSA-N 0 1 238.331 2.347 20 0 BEADMN OCCC1CN(C/C=C/c2ccc(F)cc2)C1 ZINC000459584839 203306363 /nfs/dbraw/zinc/30/63/63/203306363.db2.gz AFRLOKBRNRGQKB-OWOJBTEDSA-N 0 1 235.302 2.153 20 0 BEADMN CCC(F)(F)CNCc1cnccc1N(C)C ZINC000623679870 369381809 /nfs/dbraw/zinc/38/18/09/369381809.db2.gz NTGPCOTYEYYBRG-UHFFFAOYSA-N 0 1 243.301 2.283 20 0 BEADMN CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108302535 369386634 /nfs/dbraw/zinc/38/66/34/369386634.db2.gz ZXHPMWJVVWBYLR-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2CC(CCO)C2)o1 ZINC000459589475 203310356 /nfs/dbraw/zinc/31/03/56/203310356.db2.gz JCCALCMSWMLGSD-ZWNOBZJWSA-N 0 1 235.327 2.217 20 0 BEADMN CCCOc1cccc(CN2CC(CCO)C2)c1 ZINC000459599412 203312698 /nfs/dbraw/zinc/31/26/98/203312698.db2.gz YOMQWCPBIDAGPR-UHFFFAOYSA-N 0 1 249.354 2.290 20 0 BEADMN COC(=O)C1CCC(NC(C)(C)C(F)F)CC1 ZINC000619432102 369350729 /nfs/dbraw/zinc/35/07/29/369350729.db2.gz UGTRJPIRGDERFT-UHFFFAOYSA-N 0 1 249.301 2.352 20 0 BEADMN COC1(c2ccccc2)CN(C[C@@H]2C[C@@H]2C)C1 ZINC000459549624 203297965 /nfs/dbraw/zinc/29/79/65/203297965.db2.gz FNABJLMTJWFMDP-STQMWFEESA-N 0 1 231.339 2.500 20 0 BEADMN CCC(C)(C)[C@@H]1CCCN1Cc1ncnn1C ZINC000156937774 326249750 /nfs/dbraw/zinc/24/97/50/326249750.db2.gz CKUQKVRWHFNALC-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN FC(F)COC1CN(C[C@@H]2CC=CCC2)C1 ZINC000459586011 203304866 /nfs/dbraw/zinc/30/48/66/203304866.db2.gz DETVZYJOVDWPJS-SNVBAGLBSA-N 0 1 231.286 2.309 20 0 BEADMN CCC(F)(F)CN[C@H]1CCO[C@@H](C)C1 ZINC000623679233 369378716 /nfs/dbraw/zinc/37/87/16/369378716.db2.gz NLCYDJGVPBNQTP-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000459672857 203332311 /nfs/dbraw/zinc/33/23/11/203332311.db2.gz GXGGWCURAVTXKU-LLVKDONJSA-N 0 1 239.746 2.469 20 0 BEADMN COc1c(C)cc(CN2CC(C)(CO)C2)cc1C ZINC000459621783 203319955 /nfs/dbraw/zinc/31/99/55/203319955.db2.gz OFHWTLQUPXHUOZ-UHFFFAOYSA-N 0 1 249.354 2.126 20 0 BEADMN COCC1(C)CN(Cc2ccc3c[nH]nc3c2)C1 ZINC000459624835 203321540 /nfs/dbraw/zinc/32/15/40/203321540.db2.gz VDQXHYCBQOLFDU-UHFFFAOYSA-N 0 1 245.326 2.031 20 0 BEADMN COCC1(C)CN(Cc2ccsc2)C1 ZINC000459626092 203321778 /nfs/dbraw/zinc/32/17/78/203321778.db2.gz YPCDUQXFXDSDQM-UHFFFAOYSA-N 0 1 211.330 2.216 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ncc(Cl)s2)C1 ZINC000459629630 203324967 /nfs/dbraw/zinc/32/49/67/203324967.db2.gz HERYBQUEMQUZMH-OCAPTIKFSA-N 0 1 246.763 2.454 20 0 BEADMN CC(C)(C)CCN1CC(NC(=O)C2CCC2)C1 ZINC000459639100 203326733 /nfs/dbraw/zinc/32/67/33/203326733.db2.gz OUBMPCFJJCPMNB-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@@H](COC)NCc1cnc(C)o1 ZINC000459679124 203336396 /nfs/dbraw/zinc/33/63/96/203336396.db2.gz SFZCZQDXWAYFCF-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN Cc1ccoc1CNCc1n[nH]c(C(C)(C)C)n1 ZINC000459684913 203337274 /nfs/dbraw/zinc/33/72/74/203337274.db2.gz VOTNOTUYGNSZNA-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN c1nn2ccccc2c1CN1C[C@@H]2C[C@H]1CS2 ZINC000459741872 203349535 /nfs/dbraw/zinc/34/95/35/203349535.db2.gz AZTBTUDXJJQGPG-RYUDHWBXSA-N 0 1 245.351 2.024 20 0 BEADMN c1snnc1CNC1(C2CCC2)CCC1 ZINC000459740500 203349944 /nfs/dbraw/zinc/34/99/44/203349944.db2.gz JQYJMQXFASZVIQ-UHFFFAOYSA-N 0 1 223.345 2.351 20 0 BEADMN CCC1CC(NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000459666506 203333059 /nfs/dbraw/zinc/33/30/59/203333059.db2.gz BWXWNVJFZOYKKO-UHFFFAOYSA-N 0 1 236.363 2.380 20 0 BEADMN COC(=O)CC1(CN2CC[C@H](C)[C@H](F)C2)CC1 ZINC000619649560 369506651 /nfs/dbraw/zinc/50/66/51/369506651.db2.gz NWAVZOQJLCXWKZ-WDEREUQCSA-N 0 1 243.322 2.010 20 0 BEADMN C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC000619653547 369508237 /nfs/dbraw/zinc/50/82/37/369508237.db2.gz UPUJHIJCFKEJQO-SECBINFHSA-N 0 1 247.342 2.064 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867129 326273120 /nfs/dbraw/zinc/27/31/20/326273120.db2.gz HJNMAFVKAYKADT-NEPJUHHUSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc(C)sc1C ZINC000459781299 203367127 /nfs/dbraw/zinc/36/71/27/203367127.db2.gz SCYSCVYUAAFANB-PWSUYJOCSA-N 0 1 240.372 2.417 20 0 BEADMN O=C(NCC1=CCCC1)c1[nH]nc2c1CCCC2 ZINC000620003975 369659776 /nfs/dbraw/zinc/65/97/76/369659776.db2.gz ZAILAVWLKSBQEN-UHFFFAOYSA-N 0 1 245.326 2.129 20 0 BEADMN CC1CCN(CC(=O)N[C@]2(C)CC2(C)C)CC1 ZINC000620079717 369716711 /nfs/dbraw/zinc/71/67/11/369716711.db2.gz VBWDJIQXJXXQTQ-CQSZACIVSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](C1CC1)N(C)CC(=O)OC(C)(C)C ZINC000073779873 369729037 /nfs/dbraw/zinc/72/90/37/369729037.db2.gz LXDGSNMHECZBJW-SECBINFHSA-N 0 1 213.321 2.058 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](C(C)C)C1 ZINC000568067501 326303449 /nfs/dbraw/zinc/30/34/49/326303449.db2.gz WXRCPLHNCQBSIG-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@H](C)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000568074390 326304508 /nfs/dbraw/zinc/30/45/08/326304508.db2.gz GWZRPCMQTBJUFN-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CS[C@H]1CCCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000568065999 326302832 /nfs/dbraw/zinc/30/28/32/326302832.db2.gz NAPJLNLFNBFHPO-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(CC(C)C)CC2)c1C ZINC000620284313 369800041 /nfs/dbraw/zinc/80/00/41/369800041.db2.gz QPWVRSWQWWPCFF-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN O=C(c1ccn[nH]1)N(CCC1CC1)CC1CC1 ZINC000620628041 369968753 /nfs/dbraw/zinc/96/87/53/369968753.db2.gz LFNYJZMOZMJNGR-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN COCCCN(C)Cc1cn2cccc(C)c2n1 ZINC000620646058 369972717 /nfs/dbraw/zinc/97/27/17/369972717.db2.gz YPWSMIBXSCDARJ-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CC(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620767462 369995787 /nfs/dbraw/zinc/99/57/87/369995787.db2.gz HBXGGGSJALHHLX-CQSZACIVSA-N 0 1 246.354 2.033 20 0 BEADMN CC(=O)c1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000074667306 370001602 /nfs/dbraw/zinc/00/16/02/370001602.db2.gz SINJSUSZVCGOHZ-UHFFFAOYSA-N 0 1 243.266 2.173 20 0 BEADMN OCC[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621282073 370213036 /nfs/dbraw/zinc/21/30/36/370213036.db2.gz RUZMLLWQRBWDPA-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H](SC)c1nc([C@H]2CCCN2)no1 ZINC000309532259 370223189 /nfs/dbraw/zinc/22/31/89/370223189.db2.gz WGFBQMBMTWIZSR-HTQZYQBOSA-N 0 1 227.333 2.308 20 0 BEADMN Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000158570519 326328871 /nfs/dbraw/zinc/32/88/71/326328871.db2.gz UQGFUBPHJPPTAJ-MLGOLLRUSA-N 0 1 239.384 2.194 20 0 BEADMN Cc1csc([C@H](C)NCc2cc(C)[nH]n2)n1 ZINC000309798218 370262133 /nfs/dbraw/zinc/26/21/33/370262133.db2.gz QQTLMCLVCNIBKL-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN C[C@H](c1ccccc1F)N1CCN(C)CC1 ZINC000076574621 370321722 /nfs/dbraw/zinc/32/17/22/370321722.db2.gz XITJQXHSIYBIMP-LLVKDONJSA-N 0 1 222.307 2.134 20 0 BEADMN CC1CC(CNC(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000621676433 370427910 /nfs/dbraw/zinc/42/79/10/370427910.db2.gz MKJPVFWGBTYUNC-QOZQQMKHSA-N 0 1 246.354 2.023 20 0 BEADMN Cc1nccnc1CN1CCC[C@H](OC(C)C)C1 ZINC000621732286 370484925 /nfs/dbraw/zinc/48/49/25/370484925.db2.gz VSKUAMOGBSAHRB-ZDUSSCGKSA-N 0 1 249.358 2.174 20 0 BEADMN OCc1ccc(CNCc2ccc(F)cc2)o1 ZINC000077897709 370496377 /nfs/dbraw/zinc/49/63/77/370496377.db2.gz GVSDKCOLOOBGDS-UHFFFAOYSA-N 0 1 235.258 2.201 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000621861737 370570936 /nfs/dbraw/zinc/57/09/36/370570936.db2.gz MPAZQSCMHCZAEH-XYPYZODXSA-N 0 1 249.358 2.382 20 0 BEADMN CC(C)(C(=O)N1CCCC2(CC2)C1)c1c[nH]cn1 ZINC000621957863 370621779 /nfs/dbraw/zinc/62/17/79/370621779.db2.gz JLSLNATYIJVFLX-UHFFFAOYSA-N 0 1 247.342 2.090 20 0 BEADMN CCCC[C@@H](C(=O)N1CC(N(C)C)C1)C(C)C ZINC000621935953 370608841 /nfs/dbraw/zinc/60/88/41/370608841.db2.gz NZBVIACZYKLHDG-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(=O)CCCN1CCOC[C@@H]1C1CCC1 ZINC000568863907 326378925 /nfs/dbraw/zinc/37/89/25/326378925.db2.gz YYSPFMALEXDXQU-CQSZACIVSA-N 0 1 239.359 2.247 20 0 BEADMN CCC[C@@H](O)CN[C@H]1CCCc2scnc21 ZINC000623893009 371142801 /nfs/dbraw/zinc/14/28/01/371142801.db2.gz CCOOBXSSNCUYJX-ZJUUUORDSA-N 0 1 240.372 2.271 20 0 BEADMN COC[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000623848813 371125415 /nfs/dbraw/zinc/12/54/15/371125415.db2.gz LKXFUQPGJSCQCN-RKDXNWHRSA-N 0 1 226.345 2.145 20 0 BEADMN COC[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000623848810 371126024 /nfs/dbraw/zinc/12/60/24/371126024.db2.gz LKXFUQPGJSCQCN-BDAKNGLRSA-N 0 1 226.345 2.145 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@@H]1CCCCO1 ZINC000623923768 371158019 /nfs/dbraw/zinc/15/80/19/371158019.db2.gz KTOVFMZUYXTDPR-MFKMUULPSA-N 0 1 238.306 2.268 20 0 BEADMN C[C@H](O)C[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623958208 371197892 /nfs/dbraw/zinc/19/78/92/371197892.db2.gz FUNZREMHBYYDMB-LPEHRKFASA-N 0 1 240.372 2.270 20 0 BEADMN Cc1ccc2c(c1)N(C(=O)CN(C)C(C)C)CC2 ZINC000124260240 371177579 /nfs/dbraw/zinc/17/75/79/371177579.db2.gz OFECQNXHMSWVLJ-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN C/C=C/C[C@H](CO)N[C@@H](C)c1nc(C)cs1 ZINC000623962890 371200072 /nfs/dbraw/zinc/20/00/72/371200072.db2.gz RPBQWKNWMBEOKV-BXXZLRJFSA-N 0 1 240.372 2.429 20 0 BEADMN Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1F ZINC000631056711 371180561 /nfs/dbraw/zinc/18/05/61/371180561.db2.gz NUESKIZHAMJBJO-UHFFFAOYSA-N 0 1 247.317 2.429 20 0 BEADMN C[C@@]1(O)C[C@H](N[C@@H]2CCCc3scnc32)C1 ZINC000624001829 371233590 /nfs/dbraw/zinc/23/35/90/371233590.db2.gz NSXAEZUPBVJZEJ-LNLATYFQSA-N 0 1 238.356 2.024 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1nccn1C)OCC ZINC000624049392 371274691 /nfs/dbraw/zinc/27/46/91/371274691.db2.gz GOGWYLJFZLPCKO-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN C[C@H](CN1CC(=O)N(C)[C@@H](C)C1)CC(C)(C)C ZINC001642856979 1172412049 /nfs/dbraw/zinc/41/20/49/1172412049.db2.gz FWMOHZPVYKYYLA-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](NCC(F)(F)CC)[C@@H]1CCOC1 ZINC000624148009 371343558 /nfs/dbraw/zinc/34/35/58/371343558.db2.gz SGLCCMZTVXSUTQ-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN C/C=C\CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000624199313 371389921 /nfs/dbraw/zinc/38/99/21/371389921.db2.gz LSOSRKHUWGQHQU-XOULXFPDSA-N 0 1 205.305 2.056 20 0 BEADMN Cc1nc(CNCc2ccc(=O)[nH]c2)sc1C ZINC000631081087 371501597 /nfs/dbraw/zinc/50/15/97/371501597.db2.gz HUIYPHAIVJKREN-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN CCn1ccnc1CN1C2CCC1CC2 ZINC000624480293 371519353 /nfs/dbraw/zinc/51/93/53/371519353.db2.gz DNHKTZLQMDXPIA-UHFFFAOYSA-N 0 1 205.305 2.030 20 0 BEADMN CO[C@H](CNCc1cc(C)no1)C(C)(C)C ZINC000631081641 371552700 /nfs/dbraw/zinc/55/27/00/371552700.db2.gz UIHINADCSQHWGJ-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN CCC(C)(C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369102 371587832 /nfs/dbraw/zinc/58/78/32/371587832.db2.gz KMJHITULKLXKQK-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627372946 371591570 /nfs/dbraw/zinc/59/15/70/371591570.db2.gz AYHKSZIRLNCPCD-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CC(C)(C)C[C@@H](O)CNCc1nccs1 ZINC000227372531 371848690 /nfs/dbraw/zinc/84/86/90/371848690.db2.gz GPBAOXXBGIRLKQ-SECBINFHSA-N 0 1 228.361 2.030 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccccc1F ZINC000058504167 372041893 /nfs/dbraw/zinc/04/18/93/372041893.db2.gz RRBGZKLMBKOPGN-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN CO[C@H](CNCc1cc(C)no1)C1CCCC1 ZINC000631177376 372217369 /nfs/dbraw/zinc/21/73/69/372217369.db2.gz ODAPUELGZOZJDS-CYBMUJFWSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1scc(CNCc2cn[nH]c2)c1C ZINC000631207783 372237350 /nfs/dbraw/zinc/23/73/50/372237350.db2.gz WFETYCJBKJDBOQ-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN C[C@H](CF)NCc1ccc(C(F)F)nc1 ZINC000631136846 372204354 /nfs/dbraw/zinc/20/43/54/372204354.db2.gz RFVQWMPVQQFNPE-SSDOTTSWSA-N 0 1 218.222 2.467 20 0 BEADMN C[C@@H](NCc1ccsc1)[C@H](O)C(F)(F)F ZINC000631231650 372251661 /nfs/dbraw/zinc/25/16/61/372251661.db2.gz JCQSTHJUXOVKQJ-SVRRBLITSA-N 0 1 239.262 2.149 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc2[nH]ccc21 ZINC000171039668 372264459 /nfs/dbraw/zinc/26/44/59/372264459.db2.gz NXJNMUIITNBSQG-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN Cc1ncccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631259926 372265777 /nfs/dbraw/zinc/26/57/77/372265777.db2.gz GCKANEVNKMQFPF-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262235 372267284 /nfs/dbraw/zinc/26/72/84/372267284.db2.gz GJKALOQECCROMV-NXEZZACHSA-N 0 1 247.264 2.077 20 0 BEADMN Cc1ncsc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631261593 372267546 /nfs/dbraw/zinc/26/75/46/372267546.db2.gz ZGFFIUWGWUODJU-RNFRBKRXSA-N 0 1 236.262 2.492 20 0 BEADMN Cc1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)no1 ZINC000631574080 372433626 /nfs/dbraw/zinc/43/36/26/372433626.db2.gz YWOVTDBZRXXAEF-AVGNSLFASA-N 0 1 248.326 2.030 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3ncccc32)[nH]n1 ZINC000631582820 372441473 /nfs/dbraw/zinc/44/14/73/372441473.db2.gz UQVOTLMCRVFJAK-AWEZNQCLSA-N 0 1 242.326 2.280 20 0 BEADMN COc1cccc2c1OCCC[C@H]2NCCF ZINC000631625625 372467505 /nfs/dbraw/zinc/46/75/05/372467505.db2.gz ONHFKZKYALPPPC-LLVKDONJSA-N 0 1 239.290 2.468 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CCC[C@@H]2O)cs1 ZINC000631740870 372541295 /nfs/dbraw/zinc/54/12/95/372541295.db2.gz MIVSIUWYTDAVMA-HDBBIHSSSA-N 0 1 226.345 2.016 20 0 BEADMN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000631754830 372559097 /nfs/dbraw/zinc/55/90/97/372559097.db2.gz RMRJSRINWNYGCR-OPRDCNLKSA-N 0 1 247.264 2.412 20 0 BEADMN O=C(C[S@@](=O)Cc1ccccc1)c1ccc[nH]1 ZINC000107939152 182032026 /nfs/dbraw/zinc/03/20/26/182032026.db2.gz UBBFXXWCEDVGRJ-QGZVFWFLSA-N 0 1 247.319 2.146 20 0 BEADMN O=[S@](C=C(O)c1ccc[nH]1)Cc1ccccc1 ZINC000107939152 182032029 /nfs/dbraw/zinc/03/20/29/182032029.db2.gz UBBFXXWCEDVGRJ-QGZVFWFLSA-N 0 1 247.319 2.146 20 0 BEADMN Cc1ncc(CN2CCSC[C@@H]2C)s1 ZINC000172593076 373022799 /nfs/dbraw/zinc/02/27/99/373022799.db2.gz PDBWSGXOZYWPKE-QMMMGPOBSA-N 0 1 228.386 2.389 20 0 BEADMN O=C(NC1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268803326 182109929 /nfs/dbraw/zinc/10/99/29/182109929.db2.gz BUCMWBMMWXNXDM-LLVKDONJSA-N 0 1 248.330 2.029 20 0 BEADMN O=C(NCCC1CCCC1)c1[nH]nc2c1CCC2 ZINC000298578047 182156255 /nfs/dbraw/zinc/15/62/55/182156255.db2.gz JVVNLHVIPFAYPP-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN O=C(NCCCCF)c1n[nH]c2ccccc21 ZINC000310314018 182164282 /nfs/dbraw/zinc/16/42/82/182164282.db2.gz XBWHIEJHPARFOW-UHFFFAOYSA-N 0 1 235.262 2.042 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC12CC2 ZINC000633780738 373754231 /nfs/dbraw/zinc/75/42/31/373754231.db2.gz VAYPRJCSUNPBOI-CMPLNLGQSA-N 0 1 247.342 2.037 20 0 BEADMN CC(C)(C)C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000173635179 373768163 /nfs/dbraw/zinc/76/81/63/373768163.db2.gz FNVWIBXYUWABOS-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1nncn1C ZINC000173712092 373880427 /nfs/dbraw/zinc/88/04/27/373880427.db2.gz BYEHEZCNQHJRLK-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@H](C)C2)o1 ZINC000041363018 374136228 /nfs/dbraw/zinc/13/62/28/374136228.db2.gz IOUMYIUIIOXWMA-AOOOYVTPSA-N 0 1 208.305 2.461 20 0 BEADMN CCOCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194242043 206004828 /nfs/dbraw/zinc/00/48/28/206004828.db2.gz LULYJSSWOAYJSB-UHFFFAOYSA-N 0 1 245.326 2.203 20 0 BEADMN O[C@H]1C[C@@H](CNC2(C(F)F)CCCCC2)C1 ZINC000420927586 206024899 /nfs/dbraw/zinc/02/48/99/206024899.db2.gz ABRFTBHXHPFVJW-AOOOYVTPSA-N 0 1 233.302 2.315 20 0 BEADMN O=C(NOC1CCCC1)c1ccc(F)cc1O ZINC000224062596 182282330 /nfs/dbraw/zinc/28/23/30/182282330.db2.gz HJCKXORPTCSAKJ-UHFFFAOYSA-N 0 1 239.246 2.135 20 0 BEADMN CCOCCN(CC)Cc1oc(CC)nc1C ZINC000428240400 206055226 /nfs/dbraw/zinc/05/52/26/206055226.db2.gz PIECNGUGADLDDC-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000177363791 182291216 /nfs/dbraw/zinc/29/12/16/182291216.db2.gz WMGFPTDRBLASMA-GHMZBOCLSA-N 0 1 245.326 2.055 20 0 BEADMN C[C@H](NCc1ccc(F)cc1)c1ccc(=O)[nH]n1 ZINC000428233928 206054459 /nfs/dbraw/zinc/05/44/59/206054459.db2.gz VVNXSJZLMHBWNF-VIFPVBQESA-N 0 1 247.273 2.172 20 0 BEADMN CC[C@H]1C[N@@H+](CC(C)(C)COC)C[C@H](C)O1 ZINC000426421388 206047533 /nfs/dbraw/zinc/04/75/33/206047533.db2.gz RLWVOFYYUDGIEB-RYUDHWBXSA-N 0 1 229.364 2.158 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@@H](OC)C2)o1 ZINC000428238831 206055140 /nfs/dbraw/zinc/05/51/40/206055140.db2.gz FEVNAGFOEXCBGQ-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN C[C@H](NCc1ccccc1)c1ccc(=O)[nH]n1 ZINC000428236461 206054086 /nfs/dbraw/zinc/05/40/86/206054086.db2.gz HKZVVZJBWFAVPS-JTQLQIEISA-N 0 1 229.283 2.033 20 0 BEADMN c1c[nH]c([C@H]2CCCCN2CC[C@@H]2CCOC2)n1 ZINC000437717048 206071591 /nfs/dbraw/zinc/07/15/91/206071591.db2.gz LLTQUNFCBXYYFT-CHWSQXEVSA-N 0 1 249.358 2.363 20 0 BEADMN C[C@@H](NCc1ccc(F)cc1)c1ccc(=O)[nH]n1 ZINC000428233927 206056465 /nfs/dbraw/zinc/05/64/65/206056465.db2.gz VVNXSJZLMHBWNF-SECBINFHSA-N 0 1 247.273 2.172 20 0 BEADMN CCN(CCCC(C)C)[C@H](C)CS(C)(=O)=O ZINC000429042165 206060291 /nfs/dbraw/zinc/06/02/91/206060291.db2.gz AMOUCJVGNAOURF-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000268995850 182299893 /nfs/dbraw/zinc/29/98/93/182299893.db2.gz PTNSWLUZJOJUID-SNVBAGLBSA-N 0 1 247.323 2.279 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1=CCCCC1 ZINC000276168452 182299910 /nfs/dbraw/zinc/29/99/10/182299910.db2.gz GVENBQXYNGDUEQ-GFCCVEGCSA-N 0 1 245.326 2.404 20 0 BEADMN CC(C)c1ncc(CN(C)CC2(C)COC2)cn1 ZINC000440483151 206077760 /nfs/dbraw/zinc/07/77/60/206077760.db2.gz QWCKXOQXYZDDCK-UHFFFAOYSA-N 0 1 249.358 2.068 20 0 BEADMN CC(C)c1ncc(CN(C)CCCF)cn1 ZINC000440484722 206078566 /nfs/dbraw/zinc/07/85/66/206078566.db2.gz LFLZVZSTHKYSNE-UHFFFAOYSA-N 0 1 225.311 2.391 20 0 BEADMN CC[C@@H](F)CN(C)[C@H](CO)c1ccccc1 ZINC000440698576 206079469 /nfs/dbraw/zinc/07/94/69/206079469.db2.gz ZLWWVGDDOCMNTJ-CHWSQXEVSA-N 0 1 225.307 2.400 20 0 BEADMN CC[C@H](F)CN1CCC[C@@H]1C(=O)N(CC)CC ZINC000440697227 206080252 /nfs/dbraw/zinc/08/02/52/206080252.db2.gz ZHELWGDLIXOYNC-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000177363742 182327257 /nfs/dbraw/zinc/32/72/57/182327257.db2.gz WMGFPTDRBLASMA-QWRGUYRKSA-N 0 1 245.326 2.055 20 0 BEADMN CC1=CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459372453 206125234 /nfs/dbraw/zinc/12/52/34/206125234.db2.gz JAJVBFBNROKZFC-UHFFFAOYSA-N 0 1 245.326 2.212 20 0 BEADMN Cc1cc(F)c(CNCCCO)c(Cl)c1 ZINC000459374922 206125540 /nfs/dbraw/zinc/12/55/40/206125540.db2.gz UFUHFXHVZVEMHT-UHFFFAOYSA-N 0 1 231.698 2.260 20 0 BEADMN CC(C)OC1CC(N2CCO[C@@H](C3CC3)C2)C1 ZINC000459425433 206125953 /nfs/dbraw/zinc/12/59/53/206125953.db2.gz KGAWRXOAETUPPX-JXQTWKCFSA-N 0 1 239.359 2.053 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1cc(COC)on1 ZINC000459496385 206131512 /nfs/dbraw/zinc/13/15/12/206131512.db2.gz HCKAERDDVWUPCQ-GXFFZTMASA-N 0 1 238.331 2.441 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cc(COC)on1 ZINC000459496387 206132026 /nfs/dbraw/zinc/13/20/26/206132026.db2.gz HCKAERDDVWUPCQ-ZWNOBZJWSA-N 0 1 238.331 2.441 20 0 BEADMN CC[C@@H]1C[C@H](CNCC(F)F)CCO1 ZINC000459546022 206132481 /nfs/dbraw/zinc/13/24/81/206132481.db2.gz MCSXLHJHRPFTGN-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN COCc1cc(CN2CCCC[C@H](C)C2)no1 ZINC000459542282 206133727 /nfs/dbraw/zinc/13/37/27/206133727.db2.gz XPMGNJWCVHMROD-NSHDSACASA-N 0 1 238.331 2.443 20 0 BEADMN CC(C)(C)c1nc(CNCc2ccccc2)n[nH]1 ZINC000459698190 206137537 /nfs/dbraw/zinc/13/75/37/206137537.db2.gz ILTDYASTIZGPEM-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN O=C(Nc1ccccn1)c1cccc2[nH]ncc21 ZINC000042028155 182382963 /nfs/dbraw/zinc/38/29/63/182382963.db2.gz PDONYIKKQOVOQA-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1C[C@@H]1C1CC1 ZINC000184619209 182397010 /nfs/dbraw/zinc/39/70/10/182397010.db2.gz ICCBVCMXXYBGKC-NXEZZACHSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1C[C@@H]1C1CC1 ZINC000184619209 182397012 /nfs/dbraw/zinc/39/70/12/182397012.db2.gz ICCBVCMXXYBGKC-NXEZZACHSA-N 0 1 246.314 2.057 20 0 BEADMN C[C@H](SCc1nn[nH]n1)c1ccccc1F ZINC001643668614 1172484772 /nfs/dbraw/zinc/48/47/72/1172484772.db2.gz OGJAXIFVGJYYRD-ZETCQYMHSA-N 0 1 238.291 2.333 20 0 BEADMN Cc1ccc(CSc2cn[nH]n2)c(Cl)n1 ZINC001643735804 1172492302 /nfs/dbraw/zinc/49/23/02/1172492302.db2.gz DCNUHKJUMUGAQL-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN OC1(CCN2CCCC[C@@H]2c2cc[nH]n2)CCC1 ZINC000333115524 183015750 /nfs/dbraw/zinc/01/57/50/183015750.db2.gz HFGLVPKGQDKQNO-CYBMUJFWSA-N 0 1 249.358 2.242 20 0 BEADMN OC1CN(CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000071214412 183031004 /nfs/dbraw/zinc/03/10/04/183031004.db2.gz XVEMSWVZFKMECH-UHFFFAOYSA-N 0 1 235.371 2.269 20 0 BEADMN O=C1C[C@@H]([C@H]2CCCCN2Cc2cocn2)CN1 ZINC000330334743 183025551 /nfs/dbraw/zinc/02/55/51/183025551.db2.gz QYAQUOSLZDTNNM-ZYHUDNBSSA-N 0 1 249.314 2.006 20 0 BEADMN OCC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000076199990 183040422 /nfs/dbraw/zinc/04/04/22/183040422.db2.gz VHCRQCCFURZNJZ-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN OCC(F)(F)CNC(C1CCC1)C1CCC1 ZINC000304348636 183034036 /nfs/dbraw/zinc/03/40/36/183034036.db2.gz PYEUVWFYQRHCLL-UHFFFAOYSA-N 0 1 233.302 2.172 20 0 BEADMN OCC(F)(F)CN[C@H]1CCCC[C@H]1C1CC1 ZINC000309629043 183035391 /nfs/dbraw/zinc/03/53/91/183035391.db2.gz JWTZLZHOTAWNEU-QWRGUYRKSA-N 0 1 233.302 2.172 20 0 BEADMN OCCCNc1ccnc2cc(F)ccc21 ZINC000301233949 183059881 /nfs/dbraw/zinc/05/98/81/183059881.db2.gz CBCHFMISTDEDBQ-UHFFFAOYSA-N 0 1 220.247 2.168 20 0 BEADMN OCCC[C@H](NCCF)c1ccccc1 ZINC000308882354 183062981 /nfs/dbraw/zinc/06/29/81/183062981.db2.gz QZWDBVIJGPTKDJ-LBPRGKRZSA-N 0 1 211.280 2.059 20 0 BEADMN OCCCCN1CC[C@](F)(c2ccccc2)C1 ZINC000374640821 183050279 /nfs/dbraw/zinc/05/02/79/183050279.db2.gz XYTBRNIPRISXMC-CQSZACIVSA-N 0 1 237.318 2.330 20 0 BEADMN OCC[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000308958341 183089620 /nfs/dbraw/zinc/08/96/20/183089620.db2.gz YCEDINPFUBIZJP-LLVKDONJSA-N 0 1 231.698 2.323 20 0 BEADMN OCC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000077468317 183091384 /nfs/dbraw/zinc/09/13/84/183091384.db2.gz SNVLZHFSUGDBLB-OAHLLOKOSA-N 0 1 242.322 2.295 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000336706826 183092106 /nfs/dbraw/zinc/09/21/06/183092106.db2.gz MZLRGXGFJSPKDB-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000359623782 183109342 /nfs/dbraw/zinc/10/93/42/183109342.db2.gz FSNMPRMELFUZPP-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN OC[C@H](NCC1CCC1)c1c(F)cccc1F ZINC000272961575 183139469 /nfs/dbraw/zinc/13/94/69/183139469.db2.gz ATPUWKAPFKPWII-LBPRGKRZSA-N 0 1 241.281 2.388 20 0 BEADMN OC[C@@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000093175488 183124683 /nfs/dbraw/zinc/12/46/83/183124683.db2.gz GKWNBIXZUTVOLM-SECBINFHSA-N 0 1 243.709 2.293 20 0 BEADMN CCCCc1nnc(NCc2cn[nH]c2C)o1 ZINC000181948658 169029528 /nfs/dbraw/zinc/02/95/28/169029528.db2.gz SHPGOXLPMYMOGR-UHFFFAOYSA-N 0 1 235.291 2.056 20 0 BEADMN CCCCn1c2ccccc2nc1CN ZINC000019734166 169033892 /nfs/dbraw/zinc/03/38/92/169033892.db2.gz IWAOMTSHPLOITJ-UHFFFAOYSA-N 0 1 203.289 2.295 20 0 BEADMN OC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000127942257 183150729 /nfs/dbraw/zinc/15/07/29/183150729.db2.gz DQRULOXCALNZFY-JTQLQIEISA-N 0 1 241.281 2.169 20 0 BEADMN O[C@H]1CC[C@H](NCc2ncc(Cl)s2)CC1 ZINC000300215141 183201805 /nfs/dbraw/zinc/20/18/05/183201805.db2.gz NCEZYOOCMIGJQR-ZKCHVHJHSA-N 0 1 246.763 2.190 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1cccc(Cl)c1F ZINC000335283733 183204936 /nfs/dbraw/zinc/20/49/36/183204936.db2.gz RJXNFLMKWYNXKX-NXEZZACHSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1ccsc1Cl ZINC000307034862 183205140 /nfs/dbraw/zinc/20/51/40/183205140.db2.gz NCKGWGNAYPYBLH-HTQZYQBOSA-N 0 1 217.721 2.014 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1cc(Cl)ccc1F ZINC000335285282 183205209 /nfs/dbraw/zinc/20/52/09/183205209.db2.gz UHSVSNOLMKJYJW-GHMZBOCLSA-N 0 1 229.682 2.092 20 0 BEADMN C[C@@H](CSCC1CC1)CN1CCOCC1 ZINC001643959196 1172514629 /nfs/dbraw/zinc/51/46/29/1172514629.db2.gz SVOWYBVQLPQXDR-LLVKDONJSA-N 0 1 229.389 2.098 20 0 BEADMN CCCN(CC(=O)OC)CC1(C)CCC1 ZINC000336691624 169100230 /nfs/dbraw/zinc/10/02/30/169100230.db2.gz MTOPDBIWOAHFNM-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN O[C@H](CCSc1cn[nH]n1)c1ccccc1 ZINC000285072792 183219040 /nfs/dbraw/zinc/21/90/40/183219040.db2.gz HCMLGWSODWGNLA-SNVBAGLBSA-N 0 1 235.312 2.021 20 0 BEADMN O[C@H](CN[C@H]1CCCc2occc21)C(F)(F)F ZINC000219258319 183225438 /nfs/dbraw/zinc/22/54/38/183225438.db2.gz FYLHNZVDWYIRQO-WCBMZHEXSA-N 0 1 249.232 2.170 20 0 BEADMN CCCN(CC(=O)NC)Cc1c(C)cccc1C ZINC000151007275 169095280 /nfs/dbraw/zinc/09/52/80/169095280.db2.gz GGIGJTRXUQNKTB-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCCN(CC)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228079648 169114438 /nfs/dbraw/zinc/11/44/38/169114438.db2.gz VITMXVVWSUEIBY-ZDUSSCGKSA-N 0 1 234.343 2.253 20 0 BEADMN O[C@H]1CN(Cc2cccc(Cl)c2)CC12CC2 ZINC000336546042 183243200 /nfs/dbraw/zinc/24/32/00/183243200.db2.gz UGPXWACSAMQVCB-LBPRGKRZSA-N 0 1 237.730 2.297 20 0 BEADMN CCCN(CC)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228079655 169116367 /nfs/dbraw/zinc/11/63/67/169116367.db2.gz VITMXVVWSUEIBY-CYBMUJFWSA-N 0 1 234.343 2.253 20 0 BEADMN CCCN(CC)C(=O)[C@H]1NCCc2ccccc21 ZINC000044426858 169117395 /nfs/dbraw/zinc/11/73/95/169117395.db2.gz MKQYUUOWPQOJBY-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN CCCN(CC)C(=O)c1[nH]nc2ccccc21 ZINC000070287170 169120148 /nfs/dbraw/zinc/12/01/48/169120148.db2.gz WXJCVHHEXDXATH-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN O[C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000361019909 183234426 /nfs/dbraw/zinc/23/44/26/183234426.db2.gz FANQSCMZZFBZIF-LBPRGKRZSA-N 0 1 225.357 2.137 20 0 BEADMN CCCN(CC(C)C)C(=O)c1cc(CC)[nH]n1 ZINC000298312996 169105564 /nfs/dbraw/zinc/10/55/64/169105564.db2.gz SGKSKESCHDDKFS-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CCCN(CCC)Cc1ncc(C)cn1 ZINC000336648896 169150619 /nfs/dbraw/zinc/15/06/19/169150619.db2.gz QEVTWEKMXCVRJY-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN Oc1ccc(Br)c(CNC2CC2)c1 ZINC000083370022 183267529 /nfs/dbraw/zinc/26/75/29/183267529.db2.gz FRDZDWACWAHSBW-UHFFFAOYSA-N 0 1 242.116 2.407 20 0 BEADMN CCCN(CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000270671034 169132605 /nfs/dbraw/zinc/13/26/05/169132605.db2.gz AIZSYTZKVDVOKI-LBPRGKRZSA-N 0 1 238.306 2.084 20 0 BEADMN Oc1ccc(F)c(CNC2CCC2)c1F ZINC000293729848 183273101 /nfs/dbraw/zinc/27/31/01/183273101.db2.gz WHONFJYLOPJFFF-UHFFFAOYSA-N 0 1 213.227 2.313 20 0 BEADMN CCCN(CCC)CC(=O)Nc1nccs1 ZINC000070926414 169147629 /nfs/dbraw/zinc/14/76/29/169147629.db2.gz VYLOOPQBIAYLFN-UHFFFAOYSA-N 0 1 241.360 2.204 20 0 BEADMN CCCN(CCO)Cc1cnc(C(C)C)s1 ZINC000128027731 169167843 /nfs/dbraw/zinc/16/78/43/169167843.db2.gz QWIJSUWMNDHHNB-UHFFFAOYSA-N 0 1 242.388 2.471 20 0 BEADMN CCCN(CCc1ccccn1)Cc1cc[nH]n1 ZINC000289949351 169171005 /nfs/dbraw/zinc/17/10/05/169171005.db2.gz XVEPNACAEAAKHW-UHFFFAOYSA-N 0 1 244.342 2.259 20 0 BEADMN CCCN(Cc1nnc2n1CCCC2)CC1CC1 ZINC000377686514 169180885 /nfs/dbraw/zinc/18/08/85/169180885.db2.gz NBIZGIXOIZBSDR-UHFFFAOYSA-N 0 1 248.374 2.236 20 0 BEADMN CCCN(Cc1cscn1)CC(C)(C)O ZINC000266039478 169181039 /nfs/dbraw/zinc/18/10/39/169181039.db2.gz VOKDVQSLMWGFAS-UHFFFAOYSA-N 0 1 228.361 2.126 20 0 BEADMN CCCN(Cc1ncnn1CC)CC(C)C ZINC000362922286 169181671 /nfs/dbraw/zinc/18/16/71/169181671.db2.gz CIFBWYYWSOQHFI-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN c1nc(NC[C@H]2CCSC2)cc2c1CCC2 ZINC000336360324 183319658 /nfs/dbraw/zinc/31/96/58/183319658.db2.gz BFZVBTGZTUIMHK-SNVBAGLBSA-N 0 1 234.368 2.157 20 0 BEADMN c1c[nH]c(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339672363 183325127 /nfs/dbraw/zinc/32/51/27/183325127.db2.gz BFEFQBLWAUDORM-LLVKDONJSA-N 0 1 205.305 2.032 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1ccncc1C ZINC000107292316 169199803 /nfs/dbraw/zinc/19/98/03/169199803.db2.gz QPLBVAWWWIEUHR-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC000340865251 169201320 /nfs/dbraw/zinc/20/13/20/169201320.db2.gz WIGLJVCOYNQAKU-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCCN1CCN([C@H](C)c2nccs2)CC1 ZINC000184645949 169203386 /nfs/dbraw/zinc/20/33/86/169203386.db2.gz MFJJRJIRYVXYRB-LLVKDONJSA-N 0 1 239.388 2.232 20 0 BEADMN CCCN(Cc1cnccc1OC)C1CC1 ZINC000287375965 169178858 /nfs/dbraw/zinc/17/88/58/169178858.db2.gz QMAUZTMKWIGMJZ-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CCCNC(=O)CN[C@@H](C)c1cccc(F)c1 ZINC000035138840 169227190 /nfs/dbraw/zinc/22/71/90/169227190.db2.gz KSBKDOPQZIIEQM-JTQLQIEISA-N 0 1 238.306 2.003 20 0 BEADMN c1cc(CCN2CCOC3(CCCC3)C2)ccn1 ZINC000157963065 183335722 /nfs/dbraw/zinc/33/57/22/183335722.db2.gz ANGUNVWMHHOXHH-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN c1cc(CCCN2CCOCC23CCC3)ccn1 ZINC000360472685 183336228 /nfs/dbraw/zinc/33/62/28/183336228.db2.gz HHUBXTKEBWOTSL-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN c1cc(CCCN2CCO[C@H]3CCC[C@H]32)ccn1 ZINC000360442440 183336317 /nfs/dbraw/zinc/33/63/17/183336317.db2.gz CURXAMBMRGKVSV-CABCVRRESA-N 0 1 246.354 2.268 20 0 BEADMN c1cc(CN2CCSCC2)cc2c1OCC2 ZINC000109830942 183367724 /nfs/dbraw/zinc/36/77/24/183367724.db2.gz ZFUBMKSMOZYWGG-UHFFFAOYSA-N 0 1 235.352 2.170 20 0 BEADMN c1ccc(CCSc2nc(C3CC3)n[nH]2)nc1 ZINC000123388377 183394659 /nfs/dbraw/zinc/39/46/59/183394659.db2.gz ZQGTXXFUYDUURU-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN c1ccc(CCSc2n[nH]c(C3CC3)n2)nc1 ZINC000123388377 183394660 /nfs/dbraw/zinc/39/46/60/183394660.db2.gz ZQGTXXFUYDUURU-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN CCCOCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276633669 169308076 /nfs/dbraw/zinc/30/80/76/169308076.db2.gz BQCITRYSAKXOBN-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CCC[C@@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000041298032 169344480 /nfs/dbraw/zinc/34/44/80/169344480.db2.gz KYFGPROZCVMRHG-CQSZACIVSA-N 0 1 246.354 2.002 20 0 BEADMN CCC[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000337308620 169367470 /nfs/dbraw/zinc/36/74/70/169367470.db2.gz YDJYTOUAFUWWPH-SNVBAGLBSA-N 0 1 238.297 2.355 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H](C)N1CC=C(C)CC1 ZINC000339628377 169368607 /nfs/dbraw/zinc/36/86/07/169368607.db2.gz OPQNDYYGXMKGFJ-OLZOCXBDSA-N 0 1 238.375 2.332 20 0 BEADMN CCC[C@@H](C(=O)N[C@@H](C)c1nnc[nH]1)C(C)C ZINC000179487421 169345714 /nfs/dbraw/zinc/34/57/14/169345714.db2.gz ZRZLEBQACUPADH-VHSXEESVSA-N 0 1 238.335 2.054 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000001726745 169346254 /nfs/dbraw/zinc/34/62/54/169346254.db2.gz SIXWEUBYRPPGCW-LBPRGKRZSA-N 0 1 221.300 2.372 20 0 BEADMN CCC[C@@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000050183510 169350581 /nfs/dbraw/zinc/35/05/81/169350581.db2.gz MTTPAFSQPVAFAU-SNVBAGLBSA-N 0 1 237.347 2.203 20 0 BEADMN CCC[C@@H](C)CN(C)Cc1nccn1C ZINC000272885450 169358148 /nfs/dbraw/zinc/35/81/48/169358148.db2.gz YLDCHZRRENZTTD-LLVKDONJSA-N 0 1 209.337 2.288 20 0 BEADMN CCC[C@@H](C)CN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361656340 169358674 /nfs/dbraw/zinc/35/86/74/169358674.db2.gz SOPSLLJTVBIFIC-FJJYHAOUSA-N 0 1 231.405 2.264 20 0 BEADMN CCC[C@@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000339393729 169362536 /nfs/dbraw/zinc/36/25/36/169362536.db2.gz GQHVIFPSENPMBJ-SECBINFHSA-N 0 1 223.320 2.386 20 0 BEADMN OCc1ccc(-c2cccn3cncc23)cc1 ZINC000059450452 1172537124 /nfs/dbraw/zinc/53/71/24/1172537124.db2.gz CGOYWPUOZDFGET-UHFFFAOYSA-N 0 1 224.263 2.494 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1CCCCC1 ZINC000193508061 259604064 /nfs/dbraw/zinc/60/40/64/259604064.db2.gz NCFWLLADKMOGDR-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062935024 169480166 /nfs/dbraw/zinc/48/01/66/169480166.db2.gz VTVCLBMFQDYCPU-CMPLNLGQSA-N 0 1 213.321 2.219 20 0 BEADMN CCCc1nsc(NCC[C@H](C)F)n1 ZINC000338747615 169583165 /nfs/dbraw/zinc/58/31/65/169583165.db2.gz DFUUMAUNEVYGOG-ZETCQYMHSA-N 0 1 217.313 2.073 20 0 BEADMN COCC[C@@H](C)NCc1ncc(Cl)s1 ZINC000225334909 134354913 /nfs/dbraw/zinc/35/49/13/134354913.db2.gz YQXDUJKNRAQIIN-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN C[C@@H](O)C[C@H](C)NCc1ncc(Cl)s1 ZINC000225381463 134354976 /nfs/dbraw/zinc/35/49/76/134354976.db2.gz XPQVTYBIZWGJLG-NKWVEPMBSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H]([C@H](C)O)N(C)Cc1nc2ccccc2o1 ZINC001644873951 1172615838 /nfs/dbraw/zinc/61/58/38/1172615838.db2.gz YNNNTDUHUHXSLK-ZJUUUORDSA-N 0 1 234.299 2.029 20 0 BEADMN c1c(C2CC2)noc1-c1nc([C@@H]2CCCN2)no1 ZINC000647144943 383839548 /nfs/dbraw/zinc/83/95/48/383839548.db2.gz JQLVSCDGPBGGJF-QMMMGPOBSA-N 0 1 246.270 2.027 20 0 BEADMN c1nc(-c2nc([C@@H]3CCCN3)no2)c(C2CC2)o1 ZINC000647145581 383842923 /nfs/dbraw/zinc/84/29/23/383842923.db2.gz ZSSRFVIZKCEOPU-QMMMGPOBSA-N 0 1 246.270 2.027 20 0 BEADMN CC[C@H]1CN(CCc2ccccn2)C[C@H](C)O1 ZINC000111274142 383845721 /nfs/dbraw/zinc/84/57/21/383845721.db2.gz NQIBYTJBNHKVCJ-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN C/C=C(/CC)c1nc([C@H]2CCCN2)no1 ZINC000647145971 383846718 /nfs/dbraw/zinc/84/67/18/383846718.db2.gz JXBZWWGLSPQMMU-PTDYZRSTSA-N 0 1 207.277 2.307 20 0 BEADMN c1oc(C2CC2)nc1-c1nc([C@@H]2CCCN2)no1 ZINC000647145956 383847939 /nfs/dbraw/zinc/84/79/39/383847939.db2.gz JLLVONGRFMBDCL-QMMMGPOBSA-N 0 1 246.270 2.027 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000647146161 383854162 /nfs/dbraw/zinc/85/41/62/383854162.db2.gz ODVYSTGYNRJKLE-LPEHRKFASA-N 0 1 221.304 2.254 20 0 BEADMN COCCC[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647146994 383873086 /nfs/dbraw/zinc/87/30/86/383873086.db2.gz HGDHLBOLWDCPMB-ZJUUUORDSA-N 0 1 239.319 2.024 20 0 BEADMN C[C@@H]1CCC[C@H]1Cc1nc([C@@H]2CCCN2)no1 ZINC000647146880 383873483 /nfs/dbraw/zinc/87/34/83/383873483.db2.gz DSCBFQWPVAZAJG-VWYCJHECSA-N 0 1 235.331 2.473 20 0 BEADMN CC[C@H](NCc1cn[nH]n1)c1ccccc1 ZINC000295884806 383874336 /nfs/dbraw/zinc/87/43/36/383874336.db2.gz AYYIBKLNFQRSSD-LBPRGKRZSA-N 0 1 216.288 2.046 20 0 BEADMN C1CN[C@H](c2noc(C34CCC(CC3)C4)n2)C1 ZINC000647147197 383875051 /nfs/dbraw/zinc/87/50/51/383875051.db2.gz MVKLBUNVOLVPNN-QUNCOHTASA-N 0 1 233.315 2.326 20 0 BEADMN Cc1cc(C[N@H+](C)C[C@H](C)O)c2ccccc2n1 ZINC000088077874 383876264 /nfs/dbraw/zinc/87/62/64/383876264.db2.gz HKRHEAZSIZZPKI-LBPRGKRZSA-N 0 1 244.338 2.356 20 0 BEADMN C[C@]1(c2nc([C@H]3CCCN3)no2)C[C@H]2C[C@H]2C1 ZINC000647144653 383832977 /nfs/dbraw/zinc/83/29/77/383832977.db2.gz CJDZOACSBUEVMF-COMAGPEQSA-N 0 1 233.315 2.182 20 0 BEADMN CCc1nc(C)c(-c2nc([C@H]3CCCN3)no2)o1 ZINC000647144712 383834847 /nfs/dbraw/zinc/83/48/47/383834847.db2.gz DUGWQKMHJPMSKM-MRVPVSSYSA-N 0 1 248.286 2.020 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccccc1F ZINC000036864596 383912694 /nfs/dbraw/zinc/91/26/94/383912694.db2.gz ICXFGEGYBDMGOC-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CC[C@@H](N[C@H](C)c1csnn1)C1CC1 ZINC000398316049 383917440 /nfs/dbraw/zinc/91/74/40/383917440.db2.gz FDSWSOYLTFHULO-VXNVDRBHSA-N 0 1 211.334 2.377 20 0 BEADMN Cc1[nH]ncc1CNc1ccc2c(c1)OCO2 ZINC000036901547 383917686 /nfs/dbraw/zinc/91/76/86/383917686.db2.gz XXNHMFZIFUBJBK-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCCc2occc21 ZINC000036901696 383918115 /nfs/dbraw/zinc/91/81/15/383918115.db2.gz RZWCSBZVLLPTQN-GFCCVEGCSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1n[nH]cc1CN[C@H]1CCCc2occc21 ZINC000036901697 383919465 /nfs/dbraw/zinc/91/94/65/383919465.db2.gz RZWCSBZVLLPTQN-LBPRGKRZSA-N 0 1 231.299 2.478 20 0 BEADMN C[C@@H]1C[C@H](NCC(C)(F)F)C[C@H](C)O1 ZINC000560138496 383927231 /nfs/dbraw/zinc/92/72/31/383927231.db2.gz ZWFLXGXWOZWTPJ-BRPSZJMVSA-N 0 1 207.264 2.187 20 0 BEADMN CCCCO[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647151703 383928891 /nfs/dbraw/zinc/92/88/91/383928891.db2.gz NBORXNGNZXWDCQ-ZJUUUORDSA-N 0 1 239.319 2.372 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000647147522 383884157 /nfs/dbraw/zinc/88/41/57/383884157.db2.gz SWBDEAYHSQAGPY-OPRDCNLKSA-N 0 1 221.304 2.398 20 0 BEADMN CO[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C ZINC000221136809 383889043 /nfs/dbraw/zinc/88/90/43/383889043.db2.gz QTFKWDPSJWYRND-CFVMTHIKSA-N 0 1 249.354 2.077 20 0 BEADMN COc1ccc([C@@H](C)NC(=O)C(F)(F)F)cc1 ZINC000112020859 383891942 /nfs/dbraw/zinc/89/19/42/383891942.db2.gz RVTFOFAADXUPNJ-SSDOTTSWSA-N 0 1 247.216 2.435 20 0 BEADMN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 ZINC000348190276 383934071 /nfs/dbraw/zinc/93/40/71/383934071.db2.gz UUVSTNQNGDUICK-IUCAKERBSA-N 0 1 201.216 2.331 20 0 BEADMN CCOc1cccc(CNC(=O)C(F)(F)F)c1 ZINC000070267154 383901084 /nfs/dbraw/zinc/90/10/84/383901084.db2.gz WFHGHYARSRMYGD-UHFFFAOYSA-N 0 1 247.216 2.264 20 0 BEADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CCC1CC1 ZINC000088491612 383905314 /nfs/dbraw/zinc/90/53/14/383905314.db2.gz NROKWKITUAYEOB-CQSZACIVSA-N 0 1 245.322 2.298 20 0 BEADMN CC(C)CO[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647153303 383978573 /nfs/dbraw/zinc/97/85/73/383978573.db2.gz ZBINIYZLOIUMIR-NXEZZACHSA-N 0 1 239.319 2.228 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2CCC[C@H]2C)[nH]1 ZINC000187691350 383990693 /nfs/dbraw/zinc/99/06/93/383990693.db2.gz GDKQWOGBMZOYBJ-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2CCC[C@H]2C)n1 ZINC000187691350 383990700 /nfs/dbraw/zinc/99/07/00/383990700.db2.gz GDKQWOGBMZOYBJ-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H](C)CC(C)(C)C2)[nH]1 ZINC000335847309 384002952 /nfs/dbraw/zinc/00/29/52/384002952.db2.gz CRSKDNGIEWVNHM-VIFPVBQESA-N 0 1 235.331 2.226 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)CC(C)(C)C2)[nH]1 ZINC000335847307 384002970 /nfs/dbraw/zinc/00/29/70/384002970.db2.gz CRSKDNGIEWVNHM-SECBINFHSA-N 0 1 235.331 2.226 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336464910 383955874 /nfs/dbraw/zinc/95/58/74/383955874.db2.gz BWHIFWMBXIYWHA-WDEREUQCSA-N 0 1 241.285 2.195 20 0 BEADMN C[C@H](NCC(=O)N(C)C)c1cc2ccccc2o1 ZINC000037207907 383959813 /nfs/dbraw/zinc/95/98/13/383959813.db2.gz NKQOUAVGQAPOBL-JTQLQIEISA-N 0 1 246.310 2.172 20 0 BEADMN CC[C@H](NC[C@H]1CCSC1)C(F)F ZINC000449366205 384001062 /nfs/dbraw/zinc/00/10/62/384001062.db2.gz XZMTZMHBWDTODH-SFYZADRCSA-N 0 1 209.305 2.373 20 0 BEADMN CCc1cnc(CN[C@H](CC)[C@@H](O)CC)s1 ZINC000313152721 383961686 /nfs/dbraw/zinc/96/16/86/383961686.db2.gz AHJRVEIEDNSIMT-MNOVXSKESA-N 0 1 242.388 2.345 20 0 BEADMN C[C@@H](NC[C@H]1CCCCO1)c1nccs1 ZINC000070733081 383962898 /nfs/dbraw/zinc/96/28/98/383962898.db2.gz OUGRQODZSNGARK-NXEZZACHSA-N 0 1 226.345 2.363 20 0 BEADMN CC[C@@H](N[C@H](C)c1nccs1)[C@@H](O)CC ZINC000313165429 383976144 /nfs/dbraw/zinc/97/61/44/383976144.db2.gz SNBXTSWSKMRBFC-BBBLOLIVSA-N 0 1 228.361 2.343 20 0 BEADMN C[C@@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000078344722 384018521 /nfs/dbraw/zinc/01/85/21/384018521.db2.gz RQZYUYOFCCZBJS-NEPJUHHUSA-N 0 1 205.301 2.468 20 0 BEADMN CCN(CC(=O)Nc1nccs1)CC(C)C ZINC000114725344 384050036 /nfs/dbraw/zinc/05/00/36/384050036.db2.gz RPGMYDMRVBHDPX-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN c1nc(N[C@@H]2CCCOC2)cc2c1CCC2 ZINC000334514888 384028459 /nfs/dbraw/zinc/02/84/59/384028459.db2.gz IEMRNOJHBKRSOW-GFCCVEGCSA-N 0 1 218.300 2.161 20 0 BEADMN Fc1cc(CN[C@@H]2CCOC2)c(F)cc1Cl ZINC000278609569 384029696 /nfs/dbraw/zinc/02/96/96/384029696.db2.gz ISNFZNLHTKYGJA-MRVPVSSYSA-N 0 1 247.672 2.497 20 0 BEADMN Cc1nnc(CN2CC[C@]3(CC[C@H](C)C3)C2)n1C ZINC000336511908 384035202 /nfs/dbraw/zinc/03/52/02/384035202.db2.gz XFGGHCNIGKMXJY-FZMZJTMJSA-N 0 1 248.374 2.136 20 0 BEADMN CO[C@@H]1C[C@H](NCc2cscn2)C1(C)C ZINC000227829529 134389691 /nfs/dbraw/zinc/38/96/91/134389691.db2.gz YWSZJRSVZCBOOM-VHSXEESVSA-N 0 1 226.345 2.046 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449380700 384092608 /nfs/dbraw/zinc/09/26/08/384092608.db2.gz OKTDGLXAWXVLGL-GRYCIOLGSA-N 0 1 247.329 2.479 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H](C(C)C)C2)on1 ZINC000569497088 384122775 /nfs/dbraw/zinc/12/27/75/384122775.db2.gz ZKLOPNGNIKVSOZ-NSHDSACASA-N 0 1 236.315 2.355 20 0 BEADMN c1nc(CNC[C@@H]2CCCS2)cs1 ZINC000087473080 384148757 /nfs/dbraw/zinc/14/87/57/384148757.db2.gz DLAVJAWWDUESPJ-VIFPVBQESA-N 0 1 214.359 2.128 20 0 BEADMN c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[nH]n1 ZINC000530492704 384149686 /nfs/dbraw/zinc/14/96/86/384149686.db2.gz KGYOYTMDABFKQY-IACUBPJLSA-N 0 1 249.358 2.095 20 0 BEADMN Cc1nocc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000293948942 384152787 /nfs/dbraw/zinc/15/27/87/384152787.db2.gz OXOFMELCBDKRQK-MNOVXSKESA-N 0 1 242.269 2.460 20 0 BEADMN C[C@@H](NCc1cc[nH]c1)c1ccccn1 ZINC000080773302 384173052 /nfs/dbraw/zinc/17/30/52/384173052.db2.gz RAMFYECBYAELNJ-SNVBAGLBSA-N 0 1 201.273 2.261 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000227957755 134395307 /nfs/dbraw/zinc/39/53/07/134395307.db2.gz AUXDEMNFKHNEQU-NEPJUHHUSA-N 0 1 219.332 2.142 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1cnc[nH]1)C1CC1 ZINC000092009623 384159127 /nfs/dbraw/zinc/15/91/27/384159127.db2.gz NUJFUSDLTIUANO-SECBINFHSA-N 0 1 205.305 2.173 20 0 BEADMN C[C@H](C1CC1)[N@H+](Cc1c[nH]cn1)C1CC1 ZINC000092009623 384159131 /nfs/dbraw/zinc/15/91/31/384159131.db2.gz NUJFUSDLTIUANO-SECBINFHSA-N 0 1 205.305 2.173 20 0 BEADMN CSC1(CNCc2cocn2)CCC1 ZINC000278738233 384166808 /nfs/dbraw/zinc/16/68/08/384166808.db2.gz VEVPVARXMZTTAK-UHFFFAOYSA-N 0 1 212.318 2.050 20 0 BEADMN Cc1cc(C(=O)N2CCCC[C@@H]2C(C)C)n[nH]1 ZINC000117298482 384170076 /nfs/dbraw/zinc/17/00/76/384170076.db2.gz KIFQIPWPXWTRLI-GFCCVEGCSA-N 0 1 235.331 2.369 20 0 BEADMN COCCCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081569544 384187580 /nfs/dbraw/zinc/18/75/80/384187580.db2.gz YQZMFAUIMMEZNO-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CCCc1noc(CN2CCC[C@H]2C2CC2)n1 ZINC000363384515 384233244 /nfs/dbraw/zinc/23/32/44/384233244.db2.gz LNSYRUQJYQGSEB-NSHDSACASA-N 0 1 235.331 2.397 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@]3(CCOC3)C2)o1 ZINC000336614864 384236165 /nfs/dbraw/zinc/23/61/65/384236165.db2.gz AIKSHVVQYCRVLP-YPMHNXCESA-N 0 1 236.315 2.156 20 0 BEADMN C[C@H]1CCN(CCOCC2CCC2)C[C@H]1F ZINC000642700231 384212224 /nfs/dbraw/zinc/21/22/24/384212224.db2.gz KPEWAICROFESDJ-WCQYABFASA-N 0 1 229.339 2.483 20 0 BEADMN C[C@@H]1CO[C@H](CO)C[N@H+]1CCCC1CCCC1 ZINC000153192404 384217163 /nfs/dbraw/zinc/21/71/63/384217163.db2.gz UTQRKWHBTMWWPN-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CO[C@H](CO)CN1CCCC1CCCC1 ZINC000153192404 384217168 /nfs/dbraw/zinc/21/71/68/384217168.db2.gz UTQRKWHBTMWWPN-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1c(F)cccc1F ZINC000278830841 384227164 /nfs/dbraw/zinc/22/71/64/384227164.db2.gz QIKVBBSOXCVVIW-LBPRGKRZSA-N 0 1 243.297 2.461 20 0 BEADMN Cc1ccc(F)c(CN(C)CC[C@H](C)O)c1 ZINC000093481109 384242817 /nfs/dbraw/zinc/24/28/17/384242817.db2.gz YAJGLGQGRWXBKS-NSHDSACASA-N 0 1 225.307 2.337 20 0 BEADMN CCN(CC)Cc1nc(N)c2ccccc2n1 ZINC000073101703 384243049 /nfs/dbraw/zinc/24/30/49/384243049.db2.gz QVCKRGYZCAKPIB-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1n[nH]cc1CN1CCS[C@H](C)[C@@H]1C ZINC000093501709 384245642 /nfs/dbraw/zinc/24/56/42/384245642.db2.gz RFPVCHKRLZJQPS-VHSXEESVSA-N 0 1 225.361 2.044 20 0 BEADMN Cc1n[nH]cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000093501712 384246407 /nfs/dbraw/zinc/24/64/07/384246407.db2.gz RFPVCHKRLZJQPS-UWVGGRQHSA-N 0 1 225.361 2.044 20 0 BEADMN c1nc(CN2CCS[C@@H]3CCCC[C@@H]32)c[nH]1 ZINC000093690101 384261413 /nfs/dbraw/zinc/26/14/13/384261413.db2.gz DQRXUHPVISTNMG-NWDGAFQWSA-N 0 1 237.372 2.270 20 0 BEADMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cs1 ZINC000289527841 384268650 /nfs/dbraw/zinc/26/86/50/384268650.db2.gz VVLMKTJRCLFXOX-ZETCQYMHSA-N 0 1 219.737 2.214 20 0 BEADMN C[C@H]1C[C@H](NCc2cc(F)ccc2F)CO1 ZINC000335426305 384273380 /nfs/dbraw/zinc/27/33/80/384273380.db2.gz STWLOWUDAXELBR-KWQFWETISA-N 0 1 227.254 2.232 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1ccnn1C ZINC000093871013 384275733 /nfs/dbraw/zinc/27/57/33/384275733.db2.gz ZOWFQZRLCVDTTQ-NSHDSACASA-N 0 1 241.404 2.384 20 0 BEADMN CCCC(CCC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000132621058 384241743 /nfs/dbraw/zinc/24/17/43/384241743.db2.gz ADKWMGXTTAAWMX-VIFPVBQESA-N 0 1 238.335 2.198 20 0 BEADMN CCC(O)(CC)CN[C@@H](C)c1nccs1 ZINC000083463584 384305744 /nfs/dbraw/zinc/30/57/44/384305744.db2.gz UPWWHIZOIXGTJV-VIFPVBQESA-N 0 1 228.361 2.345 20 0 BEADMN CCc1nnc(SCCC[C@@H]2CCOC2)[nH]1 ZINC000647116033 384308677 /nfs/dbraw/zinc/30/86/77/384308677.db2.gz HXVXRUJUWPCJDF-SECBINFHSA-N 0 1 241.360 2.276 20 0 BEADMN CCc1n[nH]c(SCCC[C@@H]2CCOC2)n1 ZINC000647116033 384308682 /nfs/dbraw/zinc/30/86/82/384308682.db2.gz HXVXRUJUWPCJDF-SECBINFHSA-N 0 1 241.360 2.276 20 0 BEADMN CCN(CC)C(=O)C[C@@H](C)NCc1ccco1 ZINC000119849653 384309619 /nfs/dbraw/zinc/30/96/19/384309619.db2.gz ZDBJBMUNYNALRH-LLVKDONJSA-N 0 1 238.331 2.016 20 0 BEADMN Cc1nccc(NC[C@@H]2CCC[C@H]2O)c1Cl ZINC000335557940 384322994 /nfs/dbraw/zinc/32/29/94/384322994.db2.gz YZJRXFCIMZELKG-GXSJLCMTSA-N 0 1 240.734 2.038 20 0 BEADMN CCN(CCOC(C)C)Cc1ccccn1 ZINC000119896553 384314382 /nfs/dbraw/zinc/31/43/82/384314382.db2.gz PCMOTSHIEBOFIF-UHFFFAOYSA-N 0 1 222.332 2.329 20 0 BEADMN CCCCCC(C)(C)CNC(=O)c1cnn[nH]1 ZINC000094817848 384315008 /nfs/dbraw/zinc/31/50/08/384315008.db2.gz KWRIEMLKFIVVOI-UHFFFAOYSA-N 0 1 238.335 2.141 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1nccs1 ZINC000083142568 384284528 /nfs/dbraw/zinc/28/45/28/384284528.db2.gz FCRCIWRMSWHFRI-GUBZILKMSA-N 0 1 226.345 2.361 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](C)CC2)n[nH]1 ZINC000119572659 384285217 /nfs/dbraw/zinc/28/52/17/384285217.db2.gz HDLBUUIRPSEZRX-JTQLQIEISA-N 0 1 235.331 2.234 20 0 BEADMN Cc1nc(CN[C@H]2COC(C)(C)C2)sc1C ZINC000335473648 384291043 /nfs/dbraw/zinc/29/10/43/384291043.db2.gz HONWJKPHNVDDLY-SNVBAGLBSA-N 0 1 240.372 2.417 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000566358744 384292551 /nfs/dbraw/zinc/29/25/51/384292551.db2.gz LVCVSPSKVVQDPN-SNVBAGLBSA-N 0 1 225.313 2.216 20 0 BEADMN C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccccn1 ZINC000159023513 384297358 /nfs/dbraw/zinc/29/73/58/384297358.db2.gz DVKMZPWOSJNCRG-NWDGAFQWSA-N 0 1 233.359 2.215 20 0 BEADMN C[C@H](CCn1cccn1)N[C@@H](C)C(C)(F)F ZINC000449412696 384297831 /nfs/dbraw/zinc/29/78/31/384297831.db2.gz GGRWYTFNJLBWGP-ZJUUUORDSA-N 0 1 231.290 2.295 20 0 BEADMN CCC(CC)C[N@@H+](C)CCCC(=O)[O-] ZINC000083414465 384301097 /nfs/dbraw/zinc/30/10/97/384301097.db2.gz MPZMBQJDNSSTOL-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCCCNC(=O)c1cccc2nc[nH]c21 ZINC000074732329 384303777 /nfs/dbraw/zinc/30/37/77/384303777.db2.gz KCXGFCRCKUXHRS-UHFFFAOYSA-N 0 1 217.272 2.093 20 0 BEADMN Cc1n[nH]cc1CNc1ccc2c(n1)CCC2 ZINC000134288471 384346788 /nfs/dbraw/zinc/34/67/88/384346788.db2.gz PGAXYLMKBRCXCC-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN CC(C)[N@@H+](CCCCOC(C)(C)C)CC(=O)[O-] ZINC000568068136 384355885 /nfs/dbraw/zinc/35/58/85/384355885.db2.gz FBSRAMXWNIBLFD-UHFFFAOYSA-N 0 1 245.363 2.377 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](CCO)C(C)C)o1 ZINC000330364062 384364757 /nfs/dbraw/zinc/36/47/57/384364757.db2.gz CRMACULQLJXQRE-WDEREUQCSA-N 0 1 226.320 2.041 20 0 BEADMN CCC[C@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000095040922 384329165 /nfs/dbraw/zinc/32/91/65/384329165.db2.gz AMTUSRWYXBJSLT-NSHDSACASA-N 0 1 244.298 2.076 20 0 BEADMN CCC[C@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000095040922 384329167 /nfs/dbraw/zinc/32/91/67/384329167.db2.gz AMTUSRWYXBJSLT-NSHDSACASA-N 0 1 244.298 2.076 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(F)cc1)N(C)C ZINC000120126465 384329817 /nfs/dbraw/zinc/32/98/17/384329817.db2.gz XUZSUAKDWABKJQ-NSHDSACASA-N 0 1 224.279 2.104 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000300228253 384331903 /nfs/dbraw/zinc/33/19/03/384331903.db2.gz LNNTUIDFVGGQNQ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](C[N@H+](C)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000251061393 384332777 /nfs/dbraw/zinc/33/27/77/384332777.db2.gz CHOQQNUJBDIJSR-RYUDHWBXSA-N 0 1 235.327 2.443 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000120976888 384392426 /nfs/dbraw/zinc/39/24/26/384392426.db2.gz NIGIPVBFVIMTKI-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN CCC[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000120976888 384392431 /nfs/dbraw/zinc/39/24/31/384392431.db2.gz NIGIPVBFVIMTKI-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN Cc1ccnc(NCCC(=O)N2CCCCC2)c1 ZINC000135032591 384410643 /nfs/dbraw/zinc/41/06/43/384410643.db2.gz JZYJIOUUQGBUIP-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN Nc1ccnc(CN2CCC3(C2)CCCCC3)n1 ZINC000135100418 384411995 /nfs/dbraw/zinc/41/19/95/384411995.db2.gz ZXAKDNCNQRAJQE-UHFFFAOYSA-N 0 1 246.358 2.215 20 0 BEADMN CCOC[C@@H]1CCN(Cc2nccs2)C1 ZINC000135120571 384414498 /nfs/dbraw/zinc/41/44/98/384414498.db2.gz IEBKAJZOTBMICN-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN Cc1cnc(CN[C@]2(C)CCO[C@H]2C)s1 ZINC000335608467 384383687 /nfs/dbraw/zinc/38/36/87/384383687.db2.gz PBWMLILQWPIFQD-GXSJLCMTSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccccc1 ZINC000120827128 384384656 /nfs/dbraw/zinc/38/46/56/384384656.db2.gz DMZKAXCMAJTRHR-JSGCOSHPSA-N 0 1 246.354 2.099 20 0 BEADMN C[C@@H](N[C@H]1CCC(C)(C)C1)c1ncn(C)n1 ZINC000335608599 384384871 /nfs/dbraw/zinc/38/48/71/384384871.db2.gz VNHHCMYZHDCQBL-ZJUUUORDSA-N 0 1 222.336 2.044 20 0 BEADMN CCS[C@@H]1CCCC[N@H+]([C@@H](CC)C(=O)[O-])C1 ZINC000248987056 384447113 /nfs/dbraw/zinc/44/71/13/384447113.db2.gz VRHLCSVZPOOGEZ-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1cnccc1C ZINC000135465638 384447770 /nfs/dbraw/zinc/44/77/70/384447770.db2.gz KXUSEJYLCOXDPZ-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000078499618 384448686 /nfs/dbraw/zinc/44/86/86/384448686.db2.gz LQOVPPAKHIFXCL-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN CC[C@H](C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000181137916 384454928 /nfs/dbraw/zinc/45/49/28/384454928.db2.gz DHOKIERRQWBJPK-VHSXEESVSA-N 0 1 238.297 2.353 20 0 BEADMN CCN(CCCO)Cc1cc(F)ccc1OC ZINC000135419445 384443170 /nfs/dbraw/zinc/44/31/70/384443170.db2.gz BBODTWJWFJABDS-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000036787681 384459570 /nfs/dbraw/zinc/45/95/70/384459570.db2.gz GBSISGJFCJDZRL-SECBINFHSA-N 0 1 225.288 2.454 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)C[C@H](C)O)cs1 ZINC000228274133 134411821 /nfs/dbraw/zinc/41/18/21/134411821.db2.gz TZEVAELIPKDADB-VGMNWLOBSA-N 0 1 228.361 2.262 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000036914410 384464566 /nfs/dbraw/zinc/46/45/66/384464566.db2.gz AJPYPTMYTHHTLS-SFYZADRCSA-N 0 1 214.334 2.137 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC2OCCO2)cc1 ZINC000122203168 384465958 /nfs/dbraw/zinc/46/59/58/384465958.db2.gz KQUPEIBEDCBZQX-GFCCVEGCSA-N 0 1 235.327 2.361 20 0 BEADMN Cn1nncc1CN[C@@H](c1ccccc1)C1CC1 ZINC000135849866 384468437 /nfs/dbraw/zinc/46/84/37/384468437.db2.gz YOLAJXAMZCALQF-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN C[C@@H](NCCc1cccnc1)c1cscn1 ZINC000161153292 384470861 /nfs/dbraw/zinc/47/08/61/384470861.db2.gz ZZRUKUIOVMXIJT-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN C[C@@H]1C[C@H](NCc2cccc(O)c2Cl)CO1 ZINC000335664621 384479316 /nfs/dbraw/zinc/47/93/16/384479316.db2.gz UVQJHHDZKSLWML-SCZZXKLOSA-N 0 1 241.718 2.313 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccc(Cl)o2)CO1 ZINC000335664296 384481242 /nfs/dbraw/zinc/48/12/42/384481242.db2.gz QDMKTXQNOITFPY-HTQZYQBOSA-N 0 1 215.680 2.200 20 0 BEADMN C[C@H](NCCC[C@H]1CCOC1)c1csnn1 ZINC000400582517 384502339 /nfs/dbraw/zinc/50/23/39/384502339.db2.gz UKAYMDQYIVMGMP-UWVGGRQHSA-N 0 1 241.360 2.005 20 0 BEADMN COc1ncncc1CNCc1sccc1C ZINC000647176243 384488652 /nfs/dbraw/zinc/48/86/52/384488652.db2.gz ZOEFFVQGIVXRLK-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN c1csc(CN2CCC3(C2)CCOCC3)n1 ZINC000269735639 384494336 /nfs/dbraw/zinc/49/43/36/384494336.db2.gz ZILQCSKDOOHIAK-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CCCO1)c1nccs1 ZINC000183932307 384542002 /nfs/dbraw/zinc/54/20/02/384542002.db2.gz MBCRVEZODXQXGX-QWRGUYRKSA-N 0 1 240.372 2.357 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)[C@H]1C ZINC000248816224 384553121 /nfs/dbraw/zinc/55/31/21/384553121.db2.gz CZRNERWZZRERPQ-NTZNESFSSA-N 0 1 249.358 2.283 20 0 BEADMN COC[C@@H](C)NCc1nc2cc(C)ccc2n1C ZINC000184050782 384555498 /nfs/dbraw/zinc/55/54/98/384555498.db2.gz CMVNCKVNWVGKSZ-LLVKDONJSA-N 0 1 247.342 2.006 20 0 BEADMN C[C@H]1C[C@@H](O)CN(Cc2cc(F)cc(F)c2)C1 ZINC000334746171 384559508 /nfs/dbraw/zinc/55/95/08/384559508.db2.gz OKKWYMSYFJSQIK-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN c1c[nH]c(CNCCCNc2ccccc2)n1 ZINC000123135574 384537972 /nfs/dbraw/zinc/53/79/72/384537972.db2.gz OUUYVDXUCZBMIY-UHFFFAOYSA-N 0 1 230.315 2.002 20 0 BEADMN CCCCCN(C)CC(=O)Nc1cc(C)on1 ZINC000172174319 384539850 /nfs/dbraw/zinc/53/98/50/384539850.db2.gz OGGCNOBHSDKQBQ-UHFFFAOYSA-N 0 1 239.319 2.044 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cscn1)C(C)C ZINC000271148209 384568846 /nfs/dbraw/zinc/56/88/46/384568846.db2.gz PUDGLWAHDNTTCO-GXSJLCMTSA-N 0 1 228.361 2.465 20 0 BEADMN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1cc(C)on1 ZINC000647336582 384576572 /nfs/dbraw/zinc/57/65/72/384576572.db2.gz CPVWDKUZJUSOBB-WCQGTBRESA-N 0 1 240.347 2.431 20 0 BEADMN OCc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000293017430 384580199 /nfs/dbraw/zinc/58/01/99/384580199.db2.gz KHWYQMCGCHTQRG-CYBMUJFWSA-N 0 1 223.291 2.113 20 0 BEADMN Cc1ccc(NC(=O)c2c[nH]nc2C2CC2)nc1 ZINC000184239139 384581672 /nfs/dbraw/zinc/58/16/72/384581672.db2.gz PDEORBHRIKCOAM-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN Cc1noc(CN2CCC[C@H]2C2CCC2)n1 ZINC000102927243 384586152 /nfs/dbraw/zinc/58/61/52/384586152.db2.gz OTRSJMKLZGHRLH-NSHDSACASA-N 0 1 221.304 2.143 20 0 BEADMN CC[C@H](NCCOC)c1nc(C)cs1 ZINC000053288498 384586474 /nfs/dbraw/zinc/58/64/74/384586474.db2.gz DNWSMUPOJJDLIG-VIFPVBQESA-N 0 1 214.334 2.139 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000521055837 384565577 /nfs/dbraw/zinc/56/55/77/384565577.db2.gz FTIUGKWWABIPRB-ZDUSSCGKSA-N 0 1 245.322 2.397 20 0 BEADMN CC[C@](C)(NCCOC)c1nc(C)cs1 ZINC000053289033 384591197 /nfs/dbraw/zinc/59/11/97/384591197.db2.gz RGNKLQOPTLGPHM-NSHDSACASA-N 0 1 228.361 2.313 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)c1cnccc1N(C)C ZINC000184091305 384567476 /nfs/dbraw/zinc/56/74/76/384567476.db2.gz DBTYMPLMNMXHGE-LLVKDONJSA-N 0 1 249.358 2.312 20 0 BEADMN CCNCc1cn(CCC(C)(C)C2CC2)nn1 ZINC000405963891 384604926 /nfs/dbraw/zinc/60/49/26/384604926.db2.gz CBQPLAFWEYQMJL-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN CCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367573438 384632634 /nfs/dbraw/zinc/63/26/34/384632634.db2.gz HPCYBQASGFHEGN-KBPBESRZSA-N 0 1 241.375 2.447 20 0 BEADMN CCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367573441 384632693 /nfs/dbraw/zinc/63/26/93/384632693.db2.gz HPCYBQASGFHEGN-ZIAGYGMSSA-N 0 1 241.375 2.447 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn[nH]1 ZINC000081178262 384607857 /nfs/dbraw/zinc/60/78/57/384607857.db2.gz BMDGYCUFUVIVEU-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN COC[C@@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000172879163 384632996 /nfs/dbraw/zinc/63/29/96/384632996.db2.gz WVRKZHNDGVKGLY-OCCSQVGLSA-N 0 1 235.327 2.095 20 0 BEADMN COC[C@@H](NC[C@H]1CCCCO1)c1ccco1 ZINC000184530440 384615806 /nfs/dbraw/zinc/61/58/06/384615806.db2.gz PWDRGKBZPLGBHO-VXGBXAGGSA-N 0 1 239.315 2.126 20 0 BEADMN CC[C@@H](NCc1nc(C)no1)[C@H]1CC1(C)C ZINC000397586777 384633304 /nfs/dbraw/zinc/63/33/04/384633304.db2.gz ISANESMTRHTEFO-NXEZZACHSA-N 0 1 223.320 2.292 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184611940 384627395 /nfs/dbraw/zinc/62/73/95/384627395.db2.gz IYBXTTQNXYABPR-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184611940 384627401 /nfs/dbraw/zinc/62/74/01/384627401.db2.gz IYBXTTQNXYABPR-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000367573440 384631807 /nfs/dbraw/zinc/63/18/07/384631807.db2.gz HPCYBQASGFHEGN-UONOGXRCSA-N 0 1 241.375 2.447 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1cc(=O)c(O)co1)C1CC1 ZINC000123881285 384591688 /nfs/dbraw/zinc/59/16/88/384591688.db2.gz IJXXNFGICHGIGL-VIFPVBQESA-N 0 1 249.310 2.108 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)CC1(C)C ZINC000517962056 384596510 /nfs/dbraw/zinc/59/65/10/384596510.db2.gz YJPDIKPOIRDSLA-WDEREUQCSA-N 0 1 249.358 2.235 20 0 BEADMN COC[C@@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000172877370 384632367 /nfs/dbraw/zinc/63/23/67/384632367.db2.gz MARLXVDCUZSFQT-HIFRSBDPSA-N 0 1 249.354 2.137 20 0 BEADMN CC[C@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC000082318280 384667308 /nfs/dbraw/zinc/66/73/08/384667308.db2.gz FCRUBJCSBHCJDB-JTQLQIEISA-N 0 1 221.304 2.123 20 0 BEADMN COCC[C@H](NCc1cocn1)C(C)(C)C ZINC000309627578 384667927 /nfs/dbraw/zinc/66/79/27/384667927.db2.gz GURULPPJRCVENK-NSHDSACASA-N 0 1 226.320 2.215 20 0 BEADMN CN(Cc1ccc2ccccc2n1)[C@@H]1CCOC1 ZINC000124694177 384668428 /nfs/dbraw/zinc/66/84/28/384668428.db2.gz WWZFBIHWWIJUFE-CQSZACIVSA-N 0 1 242.322 2.456 20 0 BEADMN Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C)c1 ZINC000082322898 384669883 /nfs/dbraw/zinc/66/98/83/384669883.db2.gz LEZRFSGJRXVJAK-CYBMUJFWSA-N 0 1 232.327 2.336 20 0 BEADMN Cc1cn[nH]c1CNc1cccnc1C ZINC000289534999 384670937 /nfs/dbraw/zinc/67/09/37/384670937.db2.gz OVMATEYFKYFIQJ-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN CC[N@@H+](C)CCNCc1cc(Cl)cs1 ZINC000086332764 384639472 /nfs/dbraw/zinc/63/94/72/384639472.db2.gz IVFFLUBTHMNYJO-UHFFFAOYSA-N 0 1 232.780 2.443 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)CC(C)C ZINC000184708646 384640193 /nfs/dbraw/zinc/64/01/93/384640193.db2.gz KLZADTZUKFGZGI-VIFPVBQESA-N 0 1 223.320 2.017 20 0 BEADMN Cc1cnn(C)c1CN1CCC(F)(F)[C@@H](C)C1 ZINC000291609468 384644986 /nfs/dbraw/zinc/64/49/86/384644986.db2.gz QYHMPQAVDFLRKL-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])CCc1cccs1 ZINC000086441130 384650361 /nfs/dbraw/zinc/65/03/61/384650361.db2.gz ACPLNLXVEMHCEQ-UHFFFAOYSA-N 0 1 241.356 2.477 20 0 BEADMN Cc1nnc(NC(=O)CC2CCCCC2)[nH]1 ZINC000082283324 384660880 /nfs/dbraw/zinc/66/08/80/384660880.db2.gz MYCLDCMFBVVRIB-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN CC[C@H](O)[C@H]1CCCCN1Cc1nccs1 ZINC000125515014 384723613 /nfs/dbraw/zinc/72/36/13/384723613.db2.gz VGWMRFFBWRAHQF-MNOVXSKESA-N 0 1 240.372 2.269 20 0 BEADMN Cc1c[nH]nc1CNCC1(C(F)(F)F)CC1 ZINC000309930794 384728123 /nfs/dbraw/zinc/72/81/23/384728123.db2.gz XVCNFOAWGDCHOG-UHFFFAOYSA-N 0 1 233.237 2.150 20 0 BEADMN CCONC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000163027366 384723899 /nfs/dbraw/zinc/72/38/99/384723899.db2.gz STVDJOFXGDCTAP-UHFFFAOYSA-N 0 1 237.299 2.041 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)n[nH]1 ZINC000271268738 384724803 /nfs/dbraw/zinc/72/48/03/384724803.db2.gz AHSJMJZXFWVWHC-SNVBAGLBSA-N 0 1 247.342 2.370 20 0 BEADMN Cn1cc(CN2CCC[C@@H]2c2ccncc2)cn1 ZINC000162756135 384678285 /nfs/dbraw/zinc/67/82/85/384678285.db2.gz NCXQPAQPODOREZ-CQSZACIVSA-N 0 1 242.326 2.152 20 0 BEADMN COC(=O)[C@@H]1CCCN1Cc1cccc(C)c1C ZINC000124776558 384679175 /nfs/dbraw/zinc/67/91/75/384679175.db2.gz SFMIYLSZXKOQNT-AWEZNQCLSA-N 0 1 247.338 2.441 20 0 BEADMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000162823564 384693891 /nfs/dbraw/zinc/69/38/91/384693891.db2.gz PTYRXTVLEXXRBU-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000162823564 384693903 /nfs/dbraw/zinc/69/39/03/384693903.db2.gz PTYRXTVLEXXRBU-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN COCc1nc(CN[C@@H]2C[C@H](C)[C@H]2C)cs1 ZINC000309892289 384695251 /nfs/dbraw/zinc/69/52/51/384695251.db2.gz DBDQYNLWKHEAAR-IQJOONFLSA-N 0 1 240.372 2.424 20 0 BEADMN CC[C@H](NC[C@@H](O)C(C)C)c1nccs1 ZINC000300940542 384726954 /nfs/dbraw/zinc/72/69/54/384726954.db2.gz XRPHUDKLNFGVAZ-VHSXEESVSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H]1C ZINC000051361436 384703403 /nfs/dbraw/zinc/70/34/03/384703403.db2.gz NTYIZFWMJIHRIY-MRVPVSSYSA-N 0 1 223.272 2.271 20 0 BEADMN Cc1csc(CN(C)[C@@H](CO)CC(C)C)n1 ZINC000185341585 384705163 /nfs/dbraw/zinc/70/51/63/384705163.db2.gz XYNITAALGBEHPJ-LLVKDONJSA-N 0 1 242.388 2.290 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCC2(CC2)C1 ZINC000185356032 384711047 /nfs/dbraw/zinc/71/10/47/384711047.db2.gz VPWPFDOFZPMMLA-UHFFFAOYSA-N 0 1 245.326 2.303 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000363955615 384714630 /nfs/dbraw/zinc/71/46/30/384714630.db2.gz VXUNEMQCDCGJCW-MJBXVCDLSA-N 0 1 241.375 2.445 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000363955612 384715585 /nfs/dbraw/zinc/71/55/85/384715585.db2.gz VXUNEMQCDCGJCW-BFHYXJOUSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@]1(C)CCCN(Cc2ncc[nH]2)C1 ZINC000173777165 384718372 /nfs/dbraw/zinc/71/83/72/384718372.db2.gz GGMDPXLLUCTZJE-GFCCVEGCSA-N 0 1 207.321 2.422 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)n[nH]1 ZINC000185404892 384719920 /nfs/dbraw/zinc/71/99/20/384719920.db2.gz PIQJYHWABYAXQW-CABZTGNLSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H](NC(=O)CN1CCCC1)c1cccs1 ZINC000102667746 384721681 /nfs/dbraw/zinc/72/16/81/384721681.db2.gz BUNJANFBMSINKT-JTQLQIEISA-N 0 1 238.356 2.021 20 0 BEADMN CN(Cc1ccsc1)C[C@H]1CCCO1 ZINC000102675642 384722354 /nfs/dbraw/zinc/72/23/54/384722354.db2.gz JJERQLCXKRVNIA-LLVKDONJSA-N 0 1 211.330 2.359 20 0 BEADMN CC(C)CNC(=O)CN1CCC2(CCC2)CC1 ZINC000367603834 384775928 /nfs/dbraw/zinc/77/59/28/384775928.db2.gz OUFZWRSCIFXURE-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000086789882 384776981 /nfs/dbraw/zinc/77/69/81/384776981.db2.gz SGWFXCSMPBHTIK-ZDUSSCGKSA-N 0 1 233.311 2.210 20 0 BEADMN C[C@H]1C[C@H](NCc2cc(F)c(F)cc2F)CO1 ZINC000335440852 384728946 /nfs/dbraw/zinc/72/89/46/384728946.db2.gz XZORZPYMXXVMSA-CBAPKCEASA-N 0 1 245.244 2.371 20 0 BEADMN COc1ncc(CN(C)[C@@H]2CCSC2)s1 ZINC000643885619 384730219 /nfs/dbraw/zinc/73/02/19/384730219.db2.gz OJPZQKDDGHYIJD-MRVPVSSYSA-N 0 1 244.385 2.089 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000126069953 384730226 /nfs/dbraw/zinc/73/02/26/384730226.db2.gz FXZOUYWTAWACJA-IONNQARKSA-N 0 1 214.334 2.137 20 0 BEADMN CC1(C)[C@H](NCc2cscn2)[C@H]2CCO[C@@H]21 ZINC000082944457 384730667 /nfs/dbraw/zinc/73/06/67/384730667.db2.gz SJVYTOMOWDTVSI-MXWKQRLJSA-N 0 1 238.356 2.046 20 0 BEADMN CCCc1ncc(CN[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000449614023 384730978 /nfs/dbraw/zinc/73/09/78/384730978.db2.gz UGAVDSADTBHZEK-HOSYDEDBSA-N 0 1 238.331 2.283 20 0 BEADMN C[C@H](NC1(C(F)F)CC1)C1CCOCC1 ZINC000336751552 384739628 /nfs/dbraw/zinc/73/96/28/384739628.db2.gz GMHYSDHYFDQUFA-QMMMGPOBSA-N 0 1 219.275 2.189 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000185567820 384741847 /nfs/dbraw/zinc/74/18/47/384741847.db2.gz JLOCFEAVKDOCHR-AAEUAGOBSA-N 0 1 235.331 2.017 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000300964523 384750795 /nfs/dbraw/zinc/75/07/95/384750795.db2.gz RKOORENGTHLEDW-MNOVXSKESA-N 0 1 245.388 2.171 20 0 BEADMN CCn1cc(NCc2ccc3nc[nH]c3c2)cn1 ZINC000536376346 384752657 /nfs/dbraw/zinc/75/26/57/384752657.db2.gz VRHWGSPERSZSFJ-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN CC[C@H](CCO)CNc1cc(C)ccn1 ZINC000087371010 384779882 /nfs/dbraw/zinc/77/98/82/384779882.db2.gz BNEADUKJWCKCJP-LLVKDONJSA-N 0 1 208.305 2.211 20 0 BEADMN CC(C)(C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000052882597 384754147 /nfs/dbraw/zinc/75/41/47/384754147.db2.gz LCSLYLLFEUTARD-CQSZACIVSA-N 0 1 234.343 2.023 20 0 BEADMN CC[C@@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000103255614 384756899 /nfs/dbraw/zinc/75/68/99/384756899.db2.gz SNZKPCHZYMWNRW-LLVKDONJSA-N 0 1 244.298 2.245 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@H](C)c2cc(C)on2)C1 ZINC000309981052 384758616 /nfs/dbraw/zinc/75/86/16/384758616.db2.gz WCWKSPRWUUJMNE-GMTAPVOTSA-N 0 1 224.304 2.201 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)Nc1cn[nH]c1 ZINC000185703350 384762545 /nfs/dbraw/zinc/76/25/45/384762545.db2.gz JYXVILCQMNFWLF-VMPITWQZSA-N 0 1 207.277 2.341 20 0 BEADMN CCCCCNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000083361195 384766817 /nfs/dbraw/zinc/76/68/17/384766817.db2.gz FVLLOWHNDAFADX-ZDUSSCGKSA-N 0 1 234.343 2.301 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000054070198 384819498 /nfs/dbraw/zinc/81/94/98/384819498.db2.gz YFVNYMBHNJISGB-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)[C@H]2CC2(C)C)c1 ZINC000126702653 384823387 /nfs/dbraw/zinc/82/33/87/384823387.db2.gz BWHLECOMMBRYIL-LLVKDONJSA-N 0 1 247.342 2.128 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000186188199 384827873 /nfs/dbraw/zinc/82/78/73/384827873.db2.gz LBGSHAVWJYOEEL-CYBMUJFWSA-N 0 1 239.290 2.142 20 0 BEADMN COC(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186197678 384829500 /nfs/dbraw/zinc/82/95/00/384829500.db2.gz QYHGAUUVQXIGTI-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN OCCNCc1ccc(F)c(Cl)c1Cl ZINC000308523477 384787662 /nfs/dbraw/zinc/78/76/62/384787662.db2.gz VTCUGWSRMLYZMI-UHFFFAOYSA-N 0 1 238.089 2.214 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000048775547 384787963 /nfs/dbraw/zinc/78/79/63/384787963.db2.gz PYBRBKZPHSZUAQ-QMMMGPOBSA-N 0 1 203.245 2.017 20 0 BEADMN CCC[C@H](C(=O)Nc1nnc(C)[nH]1)C(C)C ZINC000163619807 384836048 /nfs/dbraw/zinc/83/60/48/384836048.db2.gz LZFQOBTXHJUGER-VIFPVBQESA-N 0 1 224.308 2.124 20 0 BEADMN CCC[C@@](C)(O)CNCc1ncc(CC)s1 ZINC000310027273 384794215 /nfs/dbraw/zinc/79/42/15/384794215.db2.gz PXYVKSMBZWRQHO-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN C[C@@]1(CNc2ncnc3[nH]cnc32)CCCS1 ZINC000126392843 384796367 /nfs/dbraw/zinc/79/63/67/384796367.db2.gz OCOCWVWXOFXRMX-NSHDSACASA-N 0 1 249.343 2.051 20 0 BEADMN COC[C@H](N[C@H](C)c1nccs1)C1CC1 ZINC000087480858 384797137 /nfs/dbraw/zinc/79/71/37/384797137.db2.gz FNTRBSSFRHMZJX-SCZZXKLOSA-N 0 1 226.345 2.219 20 0 BEADMN CCCC1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635686514 384798677 /nfs/dbraw/zinc/79/86/77/384798677.db2.gz WDYZNUAXPCOWFP-GHMZBOCLSA-N 0 1 247.342 2.210 20 0 BEADMN COc1ncc(CNCC=C(C)C)s1 ZINC000308552155 384800062 /nfs/dbraw/zinc/80/00/62/384800062.db2.gz XYWWGNSSFSGQBD-UHFFFAOYSA-N 0 1 212.318 2.208 20 0 BEADMN C[C@H](NCCCCCF)c1ccon1 ZINC000308558231 384806569 /nfs/dbraw/zinc/80/65/69/384806569.db2.gz CMBLQWINIITPEP-VIFPVBQESA-N 0 1 200.257 2.465 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042489042 384807709 /nfs/dbraw/zinc/80/77/09/384807709.db2.gz GLPRARNGJCMDDL-ZCFIWIBFSA-N 0 1 233.720 2.306 20 0 BEADMN C[C@H](CNCc1ncc[nH]1)Oc1cccc(F)c1 ZINC000174581097 384812922 /nfs/dbraw/zinc/81/29/22/384812922.db2.gz RXNJMAFZAMTEIO-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1c(F)cccc1F ZINC000336096655 384882150 /nfs/dbraw/zinc/88/21/50/384882150.db2.gz LMNIWWORDLZGIU-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1O)c1nccs1 ZINC000186790503 384882310 /nfs/dbraw/zinc/88/23/10/384882310.db2.gz BUZJDGNTWJABAY-IVZWLZJFSA-N 0 1 226.345 2.097 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000126933379 384844612 /nfs/dbraw/zinc/84/46/12/384844612.db2.gz FDQMDUVZTWOQFJ-BETUJISGSA-N 0 1 249.354 2.442 20 0 BEADMN Cc1ncc(CN[C@@H]2COc3ccccc3C2)o1 ZINC000335182492 384845041 /nfs/dbraw/zinc/84/50/41/384845041.db2.gz URMJCLREWBNEQZ-LBPRGKRZSA-N 0 1 244.294 2.076 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C2=CCCC2)CC1 ZINC000334765622 384848131 /nfs/dbraw/zinc/84/81/31/384848131.db2.gz JLILUNMEXNCGOY-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nc(C)cs1 ZINC000301037926 384848115 /nfs/dbraw/zinc/84/81/15/384848115.db2.gz XWHDRZMMYYLLGV-VIFPVBQESA-N 0 1 228.361 2.355 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)cc1 ZINC000092940195 384860281 /nfs/dbraw/zinc/86/02/81/384860281.db2.gz GMWODDGRROECPH-JOYOIKCWSA-N 0 1 237.274 2.121 20 0 BEADMN O=C(CN1C2CCC1CC2)NC1CCCCC1 ZINC000648211946 384865932 /nfs/dbraw/zinc/86/59/32/384865932.db2.gz RFRZAROGXHVURR-UHFFFAOYSA-N 0 1 236.359 2.062 20 0 BEADMN CC[C@H]1COCCN1CCOCCC(C)C ZINC000115741392 384956739 /nfs/dbraw/zinc/95/67/39/384956739.db2.gz OTVKBKPUHJSXLY-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@]1(CO)CCCN([C@@H](C)c2cnccn2)C1 ZINC000187556873 384957299 /nfs/dbraw/zinc/95/72/99/384957299.db2.gz FNIFUXPPTIXSHD-JSGCOSHPSA-N 0 1 249.358 2.022 20 0 BEADMN c1c(CN2CCCC3(CC3)C2)nc2ncccn12 ZINC000186971103 384899480 /nfs/dbraw/zinc/89/94/80/384899480.db2.gz YXJJQIILLIRAOP-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccccn1 ZINC000085590125 384958533 /nfs/dbraw/zinc/95/85/33/384958533.db2.gz GMTOBNBQHXSNOQ-LLVKDONJSA-N 0 1 215.300 2.271 20 0 BEADMN C[C@@H](C[N@@H+](C)CCc1ccccc1F)C(=O)[O-] ZINC000049829703 384903531 /nfs/dbraw/zinc/90/35/31/384903531.db2.gz MCYWRJSJIJWHQC-JTQLQIEISA-N 0 1 239.290 2.021 20 0 BEADMN FC1(F)CC(CN2CCO[C@@H](C3CC3)C2)C1 ZINC000336267992 384909332 /nfs/dbraw/zinc/90/93/32/384909332.db2.gz JYVFXJKNEOIGFV-LLVKDONJSA-N 0 1 231.286 2.143 20 0 BEADMN CCCCC[C@@H](C)NC(=O)c1cnccc1N ZINC000127575293 384916968 /nfs/dbraw/zinc/91/69/68/384916968.db2.gz HKUJOWGWXBNHKY-SNVBAGLBSA-N 0 1 235.331 2.362 20 0 BEADMN c1ccc2c(c1)COC[C@H]2NCc1ccncc1 ZINC000225980457 384917081 /nfs/dbraw/zinc/91/70/81/384917081.db2.gz LMLGAIUREDXFAE-OAHLLOKOSA-N 0 1 240.306 2.443 20 0 BEADMN CCN(CCO)Cc1cccc(Cl)c1F ZINC000127971969 384919850 /nfs/dbraw/zinc/91/98/50/384919850.db2.gz XQCMEAXMLANKHD-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN Cn1ncc(Cl)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC000187305849 384933865 /nfs/dbraw/zinc/93/38/65/384933865.db2.gz XJLCAKCYBZSZPZ-UWVGGRQHSA-N 0 1 239.750 2.305 20 0 BEADMN Cc1nc(CNC[C@@H](O)CCC(C)C)cs1 ZINC000644525003 384935145 /nfs/dbraw/zinc/93/51/45/384935145.db2.gz VOCFEQBUQMEBLH-LBPRGKRZSA-N 0 1 242.388 2.338 20 0 BEADMN CN(Cc1ccccc1F)[C@H]1CCOC1 ZINC000106881354 384935936 /nfs/dbraw/zinc/93/59/36/384935936.db2.gz JGSDFYIEURAZSB-NSHDSACASA-N 0 1 209.264 2.046 20 0 BEADMN Cc1ccc(C[N@H+](C)CC2(C(=O)[O-])CC2)cc1 ZINC000258826701 384938469 /nfs/dbraw/zinc/93/84/69/384938469.db2.gz CUUHIZSSTBOJJX-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN CCN(C)[C@@H](C(=O)NCC1CC1)c1ccccc1 ZINC000057827241 384967339 /nfs/dbraw/zinc/96/73/39/384967339.db2.gz XHJMBYMAVOWCBT-CQSZACIVSA-N 0 1 246.354 2.206 20 0 BEADMN F[C@@H]1CC[C@@H](NCc2cscn2)C1 ZINC000306448069 384969075 /nfs/dbraw/zinc/96/90/75/384969075.db2.gz VMYUNCAGDZAWGP-HTQZYQBOSA-N 0 1 200.282 2.123 20 0 BEADMN Cc1cc(CNCc2ccn(C)c2)sn1 ZINC000404395460 384977896 /nfs/dbraw/zinc/97/78/96/384977896.db2.gz OGBABQAOSWVGBT-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CN(Cc1cccc2c1OCO2)C[C@H]1CCCO1 ZINC000128021892 384978089 /nfs/dbraw/zinc/97/80/89/384978089.db2.gz UCZOWTYTGHHMHD-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN CCC(CC)c1cc(CNC[C@H](O)CC)on1 ZINC000644576281 384979080 /nfs/dbraw/zinc/97/90/80/384979080.db2.gz GMKZVBWDCJVBJM-LLVKDONJSA-N 0 1 240.347 2.439 20 0 BEADMN CCn1ccnc1CNC[C@H]1CCCCS1 ZINC000087684031 384981607 /nfs/dbraw/zinc/98/16/07/384981607.db2.gz DHUAZDZKHMJBDJ-LLVKDONJSA-N 0 1 239.388 2.278 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCC[C@H]2O)sn1 ZINC000404426139 384992851 /nfs/dbraw/zinc/99/28/51/384992851.db2.gz ZCFHWTABLXFWAM-CMPLNLGQSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(C)c(CNCc2ccns2)cn1 ZINC000404458374 385004197 /nfs/dbraw/zinc/00/41/97/385004197.db2.gz XVDVPMOTRQHKKO-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCC1(CC)CCN(C(=O)c2cnccc2N)C1 ZINC000128143017 385005470 /nfs/dbraw/zinc/00/54/70/385005470.db2.gz IXANMMSDMCUXAQ-UHFFFAOYSA-N 0 1 247.342 2.316 20 0 BEADMN CCO[C@@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000644626911 385023138 /nfs/dbraw/zinc/02/31/38/385023138.db2.gz CVUWFNAIRDBLKC-CHWSQXEVSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1cnc(CNC2(C(C)C)CC2)nc1 ZINC000339516841 385013054 /nfs/dbraw/zinc/01/30/54/385013054.db2.gz VFFOIXWNRMIENL-UHFFFAOYSA-N 0 1 205.305 2.063 20 0 BEADMN Cc1cc(CNCc2ccc(C)nc2)sn1 ZINC000404470264 385014213 /nfs/dbraw/zinc/01/42/13/385014213.db2.gz XIBGLTORWXTGOI-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@H](C1CCC1)N(C)CC(=O)OC(C)(C)C ZINC000312982310 385016216 /nfs/dbraw/zinc/01/62/16/385016216.db2.gz SIOLJDPRIRCOSF-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN COC(=O)CN(C)C[C@H](C)C1CCCCC1 ZINC000310370966 385016631 /nfs/dbraw/zinc/01/66/31/385016631.db2.gz XTJMWTCDHXFGOL-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN Cc1ccc(CN(C)CCOCC2CC2)nc1 ZINC000156798948 384963159 /nfs/dbraw/zinc/96/31/59/384963159.db2.gz BUVXZKIRBJRCHL-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN COC[C@@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000234902205 384964556 /nfs/dbraw/zinc/96/45/56/384964556.db2.gz SCFOYERKVHWLQW-ZYHUDNBSSA-N 0 1 249.310 2.091 20 0 BEADMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000130674395 385051493 /nfs/dbraw/zinc/05/14/93/385051493.db2.gz ZDLGAMIWQPAFBS-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@H](O)CN(C)Cc1cc(Cl)ccc1F ZINC000130674395 385051498 /nfs/dbraw/zinc/05/14/98/385051498.db2.gz ZDLGAMIWQPAFBS-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccsc1 ZINC000188473827 385053900 /nfs/dbraw/zinc/05/39/00/385053900.db2.gz XTRPJDYLWOISGM-UWVGGRQHSA-N 0 1 240.372 2.266 20 0 BEADMN C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000557635520 385060479 /nfs/dbraw/zinc/06/04/79/385060479.db2.gz LCDKCGTYWXRNJZ-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@]1(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000648273997 385065572 /nfs/dbraw/zinc/06/55/72/385065572.db2.gz DWXGTDPNOQXVGP-DYEKYZERSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)N(C)C ZINC000128721491 385066763 /nfs/dbraw/zinc/06/67/63/385066763.db2.gz BWWQZOWDQWQHDM-AWEZNQCLSA-N 0 1 248.370 2.028 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCC(C)C ZINC000106003363 385078761 /nfs/dbraw/zinc/07/87/61/385078761.db2.gz WHONPZUPFOBGDJ-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN COC[C@H](N[C@H](C)c1cscn1)C1CC1 ZINC000131238034 385078974 /nfs/dbraw/zinc/07/89/74/385078974.db2.gz GBPGCCGIQSBIMZ-SCZZXKLOSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1cncc(CN2CCOCC[C@H]2C)c1 ZINC000364135816 385041080 /nfs/dbraw/zinc/04/10/80/385041080.db2.gz MIBMCJUTIIJMFK-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1nocc1CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000336319865 385042694 /nfs/dbraw/zinc/04/26/94/385042694.db2.gz QZZSEMDGHVOJMQ-BXUZGUMPSA-N 0 1 249.358 2.042 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757521 385045975 /nfs/dbraw/zinc/04/59/75/385045975.db2.gz ZDNSELALHORWSZ-VXGBXAGGSA-N 0 1 248.326 2.329 20 0 BEADMN COc1cccc(OC)c1CN[C@H]1CC12CC2 ZINC000424183555 385111820 /nfs/dbraw/zinc/11/18/20/385111820.db2.gz JPBAHZLKAHYUMJ-ZDUSSCGKSA-N 0 1 233.311 2.346 20 0 BEADMN CCC[C@H](C)CN1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361656342 385115866 /nfs/dbraw/zinc/11/58/66/385115866.db2.gz SOPSLLJTVBIFIC-SRVKXCTJSA-N 0 1 231.405 2.264 20 0 BEADMN CCc1ccccc1CN1CCO[C@H](COC)C1 ZINC000189035037 385118210 /nfs/dbraw/zinc/11/82/10/385118210.db2.gz SVYKOZUOZMVGRV-HNNXBMFYSA-N 0 1 249.354 2.096 20 0 BEADMN CC(C)(CO)[C@@H](NCc1cscn1)C1CC1 ZINC000290999441 385119888 /nfs/dbraw/zinc/11/98/88/385119888.db2.gz VVQJUKCBMNDMRG-NSHDSACASA-N 0 1 240.372 2.030 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1c1nc2ccccc2o1 ZINC000336340802 385122965 /nfs/dbraw/zinc/12/29/65/385122965.db2.gz IAFMHUYMYVAURR-WDEREUQCSA-N 0 1 245.326 2.357 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000246225775 385127168 /nfs/dbraw/zinc/12/71/68/385127168.db2.gz DOBZBTCHTZUJEA-LJWDBELGSA-N 0 1 249.358 2.202 20 0 BEADMN C(=C\c1ccccc1)\CN1CCO[C@@H]2C[C@@H]21 ZINC000644716754 385134648 /nfs/dbraw/zinc/13/46/48/385134648.db2.gz SAQAADSETXHKEZ-WREBYIDWSA-N 0 1 215.296 2.173 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000246244227 385136784 /nfs/dbraw/zinc/13/67/84/385136784.db2.gz JDHRTRZIDFURKB-ZWNOBZJWSA-N 0 1 249.285 2.220 20 0 BEADMN Cc1ccc(CNCc2ccnn2C(C)C)cn1 ZINC000279540515 385142727 /nfs/dbraw/zinc/14/27/27/385142727.db2.gz AIQUEVROGNEORE-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CC(C)C1([NH2+]Cc2ncccc2[O-])CC1 ZINC000518412655 385088277 /nfs/dbraw/zinc/08/82/77/385088277.db2.gz MUGLPQZJWQGLFK-UHFFFAOYSA-N 0 1 206.289 2.065 20 0 BEADMN Cc1nc(CN2CC(C)(C)c3ccccc32)n[nH]1 ZINC000644678300 385089078 /nfs/dbraw/zinc/08/90/78/385089078.db2.gz FXKBVBLQWAWFHJ-UHFFFAOYSA-N 0 1 242.326 2.411 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H](C)[C@@H](F)C2)n[nH]1 ZINC000644682193 385095169 /nfs/dbraw/zinc/09/51/69/385095169.db2.gz NQSRMOCSOGMEGD-ZJUUUORDSA-N 0 1 240.326 2.108 20 0 BEADMN CCCC[N@@H+](CC(N)=O)Cc1ccccc1CC ZINC000188842999 385097544 /nfs/dbraw/zinc/09/75/44/385097544.db2.gz IYHSTKMNVBNFCM-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccccc1CC ZINC000188842999 385097549 /nfs/dbraw/zinc/09/75/49/385097549.db2.gz IYHSTKMNVBNFCM-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1ccccn1 ZINC000188875527 385100241 /nfs/dbraw/zinc/10/02/41/385100241.db2.gz RCCRAMZFOIXTSJ-UHFFFAOYSA-N 0 1 230.271 2.180 20 0 BEADMN Cc1cc(CC(=O)NCC(C)(C)C(C)C)[nH]n1 ZINC000189293283 385141147 /nfs/dbraw/zinc/14/11/47/385141147.db2.gz NVYHBIQLJHNOSL-UHFFFAOYSA-N 0 1 237.347 2.059 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCC[C@H](C)CC2)[nH]n1 ZINC000188921033 385104520 /nfs/dbraw/zinc/10/45/20/385104520.db2.gz JJKFPZVAENSFIP-CMPLNLGQSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1ccc(F)cc1CNCc1cnn(C)c1 ZINC000129044596 385104896 /nfs/dbraw/zinc/10/48/96/385104896.db2.gz FSAAIBILDLGDEF-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN C[N@H+](CCc1nccs1)CC[C@@H]1CCCO1 ZINC000189750015 385181484 /nfs/dbraw/zinc/18/14/84/385181484.db2.gz HURWMCALSZDEOY-NSHDSACASA-N 0 1 240.372 2.187 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)n[nH]1 ZINC000152507562 385188158 /nfs/dbraw/zinc/18/81/58/385188158.db2.gz KKQGXGDUQYYDPO-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H](N[C@H]1CCCSC1)c1ccon1 ZINC000306760227 385188703 /nfs/dbraw/zinc/18/87/03/385188703.db2.gz QVLBPZGONUGNNQ-IUCAKERBSA-N 0 1 212.318 2.221 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC1(CC)CC1 ZINC000178155788 385191296 /nfs/dbraw/zinc/19/12/96/385191296.db2.gz MHUFYAHENJXLLX-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cncc(CN2CCCO[C@H](C)C2)c1 ZINC000189864367 385192374 /nfs/dbraw/zinc/19/23/74/385192374.db2.gz VMDQUFZIOWBXOP-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NCc1ccoc1 ZINC000062103629 385157009 /nfs/dbraw/zinc/15/70/09/385157009.db2.gz ZBKSSYXRZYSOAG-LBPRGKRZSA-N 0 1 231.299 2.180 20 0 BEADMN CC[C@@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000189534349 385160339 /nfs/dbraw/zinc/16/03/39/385160339.db2.gz YMUWGFUPUFXBIF-ZJUUUORDSA-N 0 1 237.347 2.202 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)Nc1ccc(F)nc1 ZINC000189517101 385161740 /nfs/dbraw/zinc/16/17/40/385161740.db2.gz SDOBOPPYCUEZRA-UHFFFAOYSA-N 0 1 248.261 2.320 20 0 BEADMN COC(=O)C1CCN([C@H](C)c2ccccn2)CC1 ZINC000176980251 385164817 /nfs/dbraw/zinc/16/48/17/385164817.db2.gz VATOJBOIELSIIP-LLVKDONJSA-N 0 1 248.326 2.028 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC000648329681 385215384 /nfs/dbraw/zinc/21/53/84/385215384.db2.gz BPRONVIXCNJOJR-JBLDHEPKSA-N 0 1 249.358 2.407 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177316842 385220151 /nfs/dbraw/zinc/22/01/51/385220151.db2.gz UGVRGIRAZKJKQK-GMTAPVOTSA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000190231195 385223533 /nfs/dbraw/zinc/22/35/33/385223533.db2.gz UIABCVGNUQTKJD-MRVPVSSYSA-N 0 1 236.319 2.447 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000190231195 385223537 /nfs/dbraw/zinc/22/35/37/385223537.db2.gz UIABCVGNUQTKJD-MRVPVSSYSA-N 0 1 236.319 2.447 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000164650445 385227328 /nfs/dbraw/zinc/22/73/28/385227328.db2.gz AOAZXKCRKKXIBZ-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000153008112 385229442 /nfs/dbraw/zinc/22/94/42/385229442.db2.gz ZKJPTHGWBAIOHJ-PHIMTYICSA-N 0 1 206.289 2.215 20 0 BEADMN CSCCN[C@H](C)c1csc(C)n1 ZINC000068993790 385236855 /nfs/dbraw/zinc/23/68/55/385236855.db2.gz MQZZXYHPVQQUJV-SSDOTTSWSA-N 0 1 216.375 2.465 20 0 BEADMN C[C@H](Nc1nc2[nH]ncc2c(=O)[nH]1)C1CCCC1 ZINC000290535039 385248879 /nfs/dbraw/zinc/24/88/79/385248879.db2.gz HUUSYXIJXZPKMA-ZETCQYMHSA-N 0 1 247.302 2.049 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](C2CC2)C1 ZINC000344032100 385249469 /nfs/dbraw/zinc/24/94/69/385249469.db2.gz OIAFAHLACODTHR-JQWIXIFHSA-N 0 1 239.359 2.449 20 0 BEADMN C[C@H]1[C@H](c2ccccc2)CCN1[C@@H]1CCOC1=O ZINC000177535855 385255696 /nfs/dbraw/zinc/25/56/96/385255696.db2.gz UTNCXEZIOWVBIZ-IACUBPJLSA-N 0 1 245.322 2.180 20 0 BEADMN c1ccc2c(c1)nccc2N1CCO[C@H]2C[C@H]21 ZINC000368646212 385304575 /nfs/dbraw/zinc/30/45/75/385304575.db2.gz UMWHDXOJSCLQKN-KGLIPLIRSA-N 0 1 226.279 2.212 20 0 BEADMN C[C@@H](CSC(C)(C)C)NCc1nccn1C ZINC000167249975 385304775 /nfs/dbraw/zinc/30/47/75/385304775.db2.gz PKWSCJKAIOTZHP-JTQLQIEISA-N 0 1 241.404 2.430 20 0 BEADMN CCCC[N@H+](C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912504 385305956 /nfs/dbraw/zinc/30/59/56/385305956.db2.gz POUOPIBGBVKKNH-SNVBAGLBSA-N 0 1 223.320 2.284 20 0 BEADMN CCCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912504 385305959 /nfs/dbraw/zinc/30/59/59/385305959.db2.gz POUOPIBGBVKKNH-SNVBAGLBSA-N 0 1 223.320 2.284 20 0 BEADMN Cc1nc(N2CCOCC2)ccc1NC(C)C ZINC000154368980 385320850 /nfs/dbraw/zinc/32/08/50/385320850.db2.gz AKGIVBMRWKLATC-UHFFFAOYSA-N 0 1 235.331 2.047 20 0 BEADMN CCN(Cc1ccc(C)cc1)C(=O)c1ccn[nH]1 ZINC000643148654 385267189 /nfs/dbraw/zinc/26/71/89/385267189.db2.gz WEODWCDVBQZAOU-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN Cc1cc(CNCCOc2cccc(C)c2)on1 ZINC000310993964 385267702 /nfs/dbraw/zinc/26/77/02/385267702.db2.gz HDZDYXHOKIHSNW-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000177669389 385272338 /nfs/dbraw/zinc/27/23/38/385272338.db2.gz KDZIMEWUHYWBAL-MWLCHTKSSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@H](O)CN(Cc1ccon1)C1CCCCC1 ZINC000157793108 385281364 /nfs/dbraw/zinc/28/13/64/385281364.db2.gz RGRRJPXXHAVMGW-NSHDSACASA-N 0 1 238.331 2.190 20 0 BEADMN CC[C@@H](CCO)Nc1ccnc(C)c1Cl ZINC000336696521 385286426 /nfs/dbraw/zinc/28/64/26/385286426.db2.gz NYUUMRDSICPBNK-VIFPVBQESA-N 0 1 228.723 2.038 20 0 BEADMN CC(C)(CO)C(C)(C)NCc1cscn1 ZINC000308930013 385301218 /nfs/dbraw/zinc/30/12/18/385301218.db2.gz FBDODHCAOSGYAZ-UHFFFAOYSA-N 0 1 228.361 2.030 20 0 BEADMN CCC1(CNC(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000228086283 385332942 /nfs/dbraw/zinc/33/29/42/385332942.db2.gz WZTVUZQICZYABN-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1cocn1)C1CC1 ZINC000191929092 385335242 /nfs/dbraw/zinc/33/52/42/385335242.db2.gz YCSJYRJVYGHGBJ-VIFPVBQESA-N 0 1 206.289 2.438 20 0 BEADMN C[C@@H](C1CC1)N(Cc1cocn1)C1CC1 ZINC000191929092 385335244 /nfs/dbraw/zinc/33/52/44/385335244.db2.gz YCSJYRJVYGHGBJ-VIFPVBQESA-N 0 1 206.289 2.438 20 0 BEADMN CC[C@H](O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000178123599 385338243 /nfs/dbraw/zinc/33/82/43/385338243.db2.gz UCEODKGDFYMXNB-NSHDSACASA-N 0 1 244.338 2.297 20 0 BEADMN CCOC(=O)C[C@H](C)CNc1cccc(C)n1 ZINC000192162338 385345517 /nfs/dbraw/zinc/34/55/17/385345517.db2.gz OPLNLHWWRGVJIR-JTQLQIEISA-N 0 1 236.315 2.391 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000158207546 385363965 /nfs/dbraw/zinc/36/39/65/385363965.db2.gz NJHWCNGRIMQMBG-CYBMUJFWSA-N 0 1 248.326 2.205 20 0 BEADMN CC[N@@H+](CC(=O)N[C@@H](C)C1CCCC1)C1CC1 ZINC000179172807 385371368 /nfs/dbraw/zinc/37/13/68/385371368.db2.gz BHDSHEYBKLNMPS-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(=O)N[C@@H](C)C1CCCC1)C1CC1 ZINC000179172807 385371371 /nfs/dbraw/zinc/37/13/71/385371371.db2.gz BHDSHEYBKLNMPS-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CC[N@@H+](CC(=O)N[C@H](C)C1CCCC1)C1CC1 ZINC000179172824 385371423 /nfs/dbraw/zinc/37/14/23/385371423.db2.gz BHDSHEYBKLNMPS-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(=O)N[C@H](C)C1CCCC1)C1CC1 ZINC000179172824 385371427 /nfs/dbraw/zinc/37/14/27/385371427.db2.gz BHDSHEYBKLNMPS-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc(C2(NCC(C)C)CCCC2)no1 ZINC000161589919 385373710 /nfs/dbraw/zinc/37/37/10/385373710.db2.gz NRHSGKDVADTAQU-UHFFFAOYSA-N 0 1 223.320 2.393 20 0 BEADMN C/C(=C\c1ccccc1)CN1CCC[C@@H]1C(N)=O ZINC000179581212 385376926 /nfs/dbraw/zinc/37/69/26/385376926.db2.gz BMCWZDGDNXPLMY-IEZBTEQYSA-N 0 1 244.338 2.040 20 0 BEADMN CC(=O)CCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000192985070 385379313 /nfs/dbraw/zinc/37/93/13/385379313.db2.gz CZUWIAGHYFQBPZ-UHFFFAOYSA-N 0 1 245.282 2.179 20 0 BEADMN C[C@H](N[C@@H](CO)CC1CCC1)c1nccs1 ZINC000280863046 385381505 /nfs/dbraw/zinc/38/15/05/385381505.db2.gz CHXBPKBFGWHQNC-GXSJLCMTSA-N 0 1 240.372 2.345 20 0 BEADMN CC[C@H]1CN(c2ccnc(C)c2Cl)C[C@@H]1O ZINC000336433918 385383714 /nfs/dbraw/zinc/38/37/14/385383714.db2.gz ZMNPWLBAQAOYHA-ONGXEEELSA-N 0 1 240.734 2.251 20 0 BEADMN CCCc1csc(CN[C@@H](C)COC)n1 ZINC000309054531 385384980 /nfs/dbraw/zinc/38/49/80/385384980.db2.gz SVYJWBLPBCRJAM-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN CC(C)(C)CN(CCO)Cc1ccncc1F ZINC000648368865 385386010 /nfs/dbraw/zinc/38/60/10/385386010.db2.gz OARJVNYSWGFUNR-UHFFFAOYSA-N 0 1 240.322 2.061 20 0 BEADMN CCOC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000492885795 385457985 /nfs/dbraw/zinc/45/79/85/385457985.db2.gz CXZYUBPMECLTAL-PLNGDYQASA-N 0 1 245.282 2.360 20 0 BEADMN C[C@H]1CSCCN1Cc1cccc(F)c1N ZINC000156388490 385448627 /nfs/dbraw/zinc/44/86/27/385448627.db2.gz WJBVJKLHJHKITJ-VIFPVBQESA-N 0 1 240.347 2.345 20 0 BEADMN CCN(CC(=O)Nc1ccc(C)nc1C)C1CC1 ZINC000179181088 385448815 /nfs/dbraw/zinc/44/88/15/385448815.db2.gz XPCLYRSIGWWSHB-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@H](C(=O)Nc1ccc2cc[nH]c2c1)N(C)C ZINC000194847596 385449171 /nfs/dbraw/zinc/44/91/71/385449171.db2.gz QGIZBNNFEZOCAG-CYBMUJFWSA-N 0 1 245.326 2.447 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000170817626 385449908 /nfs/dbraw/zinc/44/99/08/385449908.db2.gz LVHCNGFHLGHANU-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN COc1ccc(CCN2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000155993581 385426969 /nfs/dbraw/zinc/42/69/69/385426969.db2.gz XZXXEEBTEQGRLZ-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN CCO[C@H](CNCc1ncc[nH]1)c1ccccc1 ZINC000194460267 385435453 /nfs/dbraw/zinc/43/54/53/385435453.db2.gz ZINXRHOJANXMAU-CYBMUJFWSA-N 0 1 245.326 2.277 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927886 385487986 /nfs/dbraw/zinc/48/79/86/385487986.db2.gz SGWYIFWZTMRTSM-NXEZZACHSA-N 0 1 223.320 2.050 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000364513121 385475203 /nfs/dbraw/zinc/47/52/03/385475203.db2.gz ZDXGIHDCRKXKFJ-OLZOCXBDSA-N 0 1 249.310 2.003 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927929 385488333 /nfs/dbraw/zinc/48/83/33/385488333.db2.gz UMXKTPFJWPWTEC-SNVBAGLBSA-N 0 1 237.347 2.440 20 0 BEADMN CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000157070348 385484504 /nfs/dbraw/zinc/48/45/04/385484504.db2.gz HMICJUVKDPARBW-RYUDHWBXSA-N 0 1 234.343 2.338 20 0 BEADMN CC[C@@H](CC(=O)NCc1cn[nH]c1C)C(C)C ZINC000171468175 385487283 /nfs/dbraw/zinc/48/72/83/385487283.db2.gz MOTHQIOKIQYCKM-NSHDSACASA-N 0 1 237.347 2.407 20 0 BEADMN COCCN(Cc1cncs1)C[C@@H]1C[C@H]1C ZINC000448363355 385460483 /nfs/dbraw/zinc/46/04/83/385460483.db2.gz QVOJTYLIJZJQOW-MNOVXSKESA-N 0 1 240.372 2.248 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)[nH]1 ZINC000179350802 385460707 /nfs/dbraw/zinc/46/07/07/385460707.db2.gz WXNQAJYAJIVULT-AWEZNQCLSA-N 0 1 241.338 2.474 20 0 BEADMN FC1(F)CCCC[C@@H]1CNCc1ncc[nH]1 ZINC000295150859 385460981 /nfs/dbraw/zinc/46/09/81/385460981.db2.gz RCUGKPNTACUFEW-SECBINFHSA-N 0 1 229.274 2.325 20 0 BEADMN CC(C)(CO)NCc1ccsc1Cl ZINC000308134100 385463011 /nfs/dbraw/zinc/46/30/11/385463011.db2.gz DAQPLKVXTJTOQF-UHFFFAOYSA-N 0 1 219.737 2.262 20 0 BEADMN CC[C@H](C[C@@H](C)CO)NCc1cscn1 ZINC000309235305 385490780 /nfs/dbraw/zinc/49/07/80/385490780.db2.gz XKPJGGABHMJBGI-NXEZZACHSA-N 0 1 228.361 2.030 20 0 BEADMN CC[C@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000157266129 385494608 /nfs/dbraw/zinc/49/46/08/385494608.db2.gz GHQDZOLUBMDSFG-NSHDSACASA-N 0 1 239.746 2.469 20 0 BEADMN CC(C)CCCNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000364746332 385508562 /nfs/dbraw/zinc/50/85/62/385508562.db2.gz NKWKSGRDWOTUCE-NSHDSACASA-N 0 1 249.358 2.382 20 0 BEADMN CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000108143307 385513053 /nfs/dbraw/zinc/51/30/53/385513053.db2.gz SMFWZVRAGRBXIU-OAHLLOKOSA-N 0 1 246.354 2.096 20 0 BEADMN Cc1csc(CN(C)CC2CCOCC2)n1 ZINC000172400367 385530680 /nfs/dbraw/zinc/53/06/80/385530680.db2.gz AYPZPLKHNVJVEL-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000309352373 385543475 /nfs/dbraw/zinc/54/34/75/385543475.db2.gz BXYFWPCABTWNRX-NSHDSACASA-N 0 1 239.340 2.353 20 0 BEADMN CC(C)C[C@@H]1CCCCCN1C(=O)CN(C)C ZINC000173258685 385550525 /nfs/dbraw/zinc/55/05/25/385550525.db2.gz HRKJODYIKYQJDZ-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CO[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172108928 385550838 /nfs/dbraw/zinc/55/08/38/385550838.db2.gz YPKRBBHBZAOSOK-ZCFIWIBFSA-N 0 1 229.663 2.019 20 0 BEADMN CC(C)(CF)NCc1cccc2nccn21 ZINC000309373139 385555957 /nfs/dbraw/zinc/55/59/57/385555957.db2.gz QUFZOBIFLUEORC-UHFFFAOYSA-N 0 1 221.279 2.172 20 0 BEADMN Cc1nccc(N[C@@H](C)C[C@@H](C)O)c1Cl ZINC000336676324 385601613 /nfs/dbraw/zinc/60/16/13/385601613.db2.gz HPFJDSIDPAXDFP-JGVFFNPUSA-N 0 1 228.723 2.037 20 0 BEADMN Cc1nccc(N[C@H](C)C[C@@H](C)O)c1Cl ZINC000336676320 385602487 /nfs/dbraw/zinc/60/24/87/385602487.db2.gz HPFJDSIDPAXDFP-HTQZYQBOSA-N 0 1 228.723 2.037 20 0 BEADMN FCCNCc1ccnn1-c1ccc(F)cc1 ZINC000280779239 385603816 /nfs/dbraw/zinc/60/38/16/385603816.db2.gz PORPBSOFPIPPGN-UHFFFAOYSA-N 0 1 237.253 2.071 20 0 BEADMN CC[C@@H](CSC)NCc1cn(C(C)C)nn1 ZINC000309437551 385581654 /nfs/dbraw/zinc/58/16/54/385581654.db2.gz YQZYGFOLYZBQIZ-JTQLQIEISA-N 0 1 242.392 2.090 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000337310056 385589117 /nfs/dbraw/zinc/58/91/17/385589117.db2.gz ZVFGPIJMANYOEN-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCCc1ccc(C(=O)NCCN2CCC2)cc1 ZINC000337295717 385589695 /nfs/dbraw/zinc/58/96/95/385589695.db2.gz IYYAMMGAGDOPQP-UHFFFAOYSA-N 0 1 246.354 2.075 20 0 BEADMN FC(F)O[C@H]1CCC[C@@H]1NCc1nccs1 ZINC000337310348 385590360 /nfs/dbraw/zinc/59/03/60/385590360.db2.gz UNOBPJLAFAQXKK-YUMQZZPRSA-N 0 1 248.298 2.393 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@H]2C2CC2)s1 ZINC000336724510 385617009 /nfs/dbraw/zinc/61/70/09/385617009.db2.gz FKTVCOYMXJSSGY-PWSUYJOCSA-N 0 1 238.356 2.109 20 0 BEADMN C[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000182025832 385630331 /nfs/dbraw/zinc/63/03/31/385630331.db2.gz URZWFBOXSUXOCE-CYBMUJFWSA-N 0 1 219.328 2.197 20 0 BEADMN CCC1(CC)CCN(Cc2nccc(N)n2)C1 ZINC000269733102 385631039 /nfs/dbraw/zinc/63/10/39/385631039.db2.gz YRDURWIZEWOOPG-UHFFFAOYSA-N 0 1 234.347 2.071 20 0 BEADMN CO[C@H](C)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000182120105 385635174 /nfs/dbraw/zinc/63/51/74/385635174.db2.gz GRRZFBRLZLVXKR-GUTXKFCHSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1[nH]ncc1CN1CCOc2ccccc21 ZINC000182120637 385635630 /nfs/dbraw/zinc/63/56/30/385635630.db2.gz GANDEUSJHUCYJL-UHFFFAOYSA-N 0 1 229.283 2.117 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](CC3CC3)C2)[nH]1 ZINC000411768742 385607328 /nfs/dbraw/zinc/60/73/28/385607328.db2.gz GEYYDQZICILAJA-CABZTGNLSA-N 0 1 234.347 2.296 20 0 BEADMN Cc1ccc(CN2CCOCC3(CCC3)C2)cn1 ZINC000334699689 385610296 /nfs/dbraw/zinc/61/02/96/385610296.db2.gz JLRSKCGISPZPRN-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@@H]2CCC[C@H]21 ZINC000334709041 385611137 /nfs/dbraw/zinc/61/11/37/385611137.db2.gz WQKUEJTXAMPQMY-JOYOIKCWSA-N 0 1 245.326 2.302 20 0 BEADMN Cc1ncc(C(=O)N(Cc2ccco2)C(C)C)[nH]1 ZINC000270075433 385665184 /nfs/dbraw/zinc/66/51/84/385665184.db2.gz KIJVSRPZOIPGQT-UHFFFAOYSA-N 0 1 247.298 2.362 20 0 BEADMN COC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229627581 385645446 /nfs/dbraw/zinc/64/54/46/385645446.db2.gz BMLNHRYNPHPGFD-FZMZJTMJSA-N 0 1 245.326 2.448 20 0 BEADMN CC[C@H]1CN(Cc2cncs2)CCCO1 ZINC000281232618 385646380 /nfs/dbraw/zinc/64/63/80/385646380.db2.gz LDZBSYQVYIKOHF-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@H](N[C@@H]1CSC1(C)C)c1nccn1C ZINC000283426936 385665443 /nfs/dbraw/zinc/66/54/43/385665443.db2.gz SAQNWIRQGJTOMD-VHSXEESVSA-N 0 1 239.388 2.355 20 0 BEADMN C[C@@]1(F)CCCN(CCOC2CCC2)C1 ZINC000451116679 385654398 /nfs/dbraw/zinc/65/43/98/385654398.db2.gz SHWYBXULVCTZDR-GFCCVEGCSA-N 0 1 215.312 2.380 20 0 BEADMN CC[C@@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000643196898 385656807 /nfs/dbraw/zinc/65/68/07/385656807.db2.gz XCNGKROLYMNIDG-SECBINFHSA-N 0 1 232.283 2.123 20 0 BEADMN Cc1ncc(C(=O)N2CCCC[C@H]2C(C)C)[nH]1 ZINC000270036985 385660923 /nfs/dbraw/zinc/66/09/23/385660923.db2.gz CGFKGDHIZBDMOP-LBPRGKRZSA-N 0 1 235.331 2.369 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000340005969 385661218 /nfs/dbraw/zinc/66/12/18/385661218.db2.gz QJPFJUQQAWDKPC-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CSC[C@H]2C)n1 ZINC000309535848 385676672 /nfs/dbraw/zinc/67/66/72/385676672.db2.gz DYNPVRYXVDLUKJ-PWSUYJOCSA-N 0 1 239.388 2.305 20 0 BEADMN Cc1ccc([C@H](C)NCc2n[nH]c(C3CC3)n2)o1 ZINC000182576246 385683486 /nfs/dbraw/zinc/68/34/86/385683486.db2.gz GRKIQIBVDFDWJJ-VIFPVBQESA-N 0 1 246.314 2.434 20 0 BEADMN c1cn(CCC[N@H+]2CCc3sccc3C2)cn1 ZINC000182620064 385690160 /nfs/dbraw/zinc/69/01/60/385690160.db2.gz VQRIGHAFVVYQRE-UHFFFAOYSA-N 0 1 247.367 2.393 20 0 BEADMN COC[C@@H](C)Nc1cc2c(cn1)CCCC2 ZINC000309559256 385691162 /nfs/dbraw/zinc/69/11/62/385691162.db2.gz KOEQIAQBBNQASW-SNVBAGLBSA-N 0 1 220.316 2.407 20 0 BEADMN CC[C@H](NCc1cscn1)[C@@H](O)C(C)C ZINC000414536745 385702839 /nfs/dbraw/zinc/70/28/39/385702839.db2.gz XVWJDOSLSMETBW-QWRGUYRKSA-N 0 1 228.361 2.028 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NCC(F)(F)CO ZINC000184713673 385704140 /nfs/dbraw/zinc/70/41/40/385704140.db2.gz UCEGBWFGARVBQS-RKDXNWHRSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H](O)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000281869074 385710035 /nfs/dbraw/zinc/71/00/35/385710035.db2.gz CACKNMFRLHVSOT-SKDRFNHKSA-N 0 1 225.719 2.468 20 0 BEADMN CCc1ccc([C@@H](COC)NCCCF)o1 ZINC000184852908 385713059 /nfs/dbraw/zinc/71/30/59/385713059.db2.gz JRMHCGRQPWIVOC-LLVKDONJSA-N 0 1 229.295 2.479 20 0 BEADMN CC(C)CC[C@@H](O)CN[C@@H](C)c1ccon1 ZINC000309525534 385666498 /nfs/dbraw/zinc/66/64/98/385666498.db2.gz AZBPEAZGRQLGCV-WDEREUQCSA-N 0 1 226.320 2.122 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)CCC2CC2)c1C ZINC000331542521 385716724 /nfs/dbraw/zinc/71/67/24/385716724.db2.gz YAVWFLBMUOWBPX-MRVPVSSYSA-N 0 1 235.331 2.335 20 0 BEADMN CCN(CC)CC(=O)Nc1ncccc1C(C)C ZINC000337459094 385669043 /nfs/dbraw/zinc/66/90/43/385669043.db2.gz LGDRFZNXZVOVRJ-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@H]2C)n1 ZINC000337465352 385671116 /nfs/dbraw/zinc/67/11/16/385671116.db2.gz MILPJDWJNIYVTP-MWLCHTKSSA-N 0 1 235.331 2.023 20 0 BEADMN CN(CC(=O)OC(C)(C)C)C1CCCC1 ZINC000185480095 385730147 /nfs/dbraw/zinc/73/01/47/385730147.db2.gz ODNJAGPDLATCNA-UHFFFAOYSA-N 0 1 213.321 2.203 20 0 BEADMN C[C@@H](CCc1ccc(O)cc1)NCc1cocn1 ZINC000185525110 385731992 /nfs/dbraw/zinc/73/19/92/385731992.db2.gz ILEHYJSJWZKBCR-NSHDSACASA-N 0 1 246.310 2.491 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)c2ccco2)n[nH]1 ZINC000270763498 385740285 /nfs/dbraw/zinc/74/02/85/385740285.db2.gz PHYBJVVKGJWOAQ-QMMMGPOBSA-N 0 1 248.286 2.012 20 0 BEADMN CC(C)=CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270755572 385740803 /nfs/dbraw/zinc/74/08/03/385740803.db2.gz NRBYXHKEHTWTIB-VIFPVBQESA-N 0 1 236.319 2.072 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@@H]2CCCCO2)s1 ZINC000295522332 385741439 /nfs/dbraw/zinc/74/14/39/385741439.db2.gz VXDZKTSGHIVGBR-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H]1CCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC000294009162 385786297 /nfs/dbraw/zinc/78/62/97/385786297.db2.gz UCCCKFCCSHVKHB-NSHDSACASA-N 0 1 246.310 2.002 20 0 BEADMN FCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000336695922 385746588 /nfs/dbraw/zinc/74/65/88/385746588.db2.gz LVPIEHPEHFVSJE-UHFFFAOYSA-N 0 1 219.263 2.136 20 0 BEADMN CC[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270800424 385747186 /nfs/dbraw/zinc/74/71/86/385747186.db2.gz WJJPQHJTMLNGJJ-BDAKNGLRSA-N 0 1 238.335 2.151 20 0 BEADMN COc1cc(C)c(CNCCF)cc1OC ZINC000309628983 385751127 /nfs/dbraw/zinc/75/11/27/385751127.db2.gz GMVCSWSCEAHBQL-UHFFFAOYSA-N 0 1 227.279 2.071 20 0 BEADMN CC(C)c1nc([C@@H](C)NC[C@@H](C)O)cs1 ZINC000186193196 385751445 /nfs/dbraw/zinc/75/14/45/385751445.db2.gz OEHXHULLXBLPEQ-RKDXNWHRSA-N 0 1 228.361 2.298 20 0 BEADMN CN(C)c1ccncc1CNCc1ccco1 ZINC000183301199 385751533 /nfs/dbraw/zinc/75/15/33/385751533.db2.gz LHBHZTHBGOHOAY-UHFFFAOYSA-N 0 1 231.299 2.030 20 0 BEADMN COc1ccc([C@H](C)CN2CCOCC2)cc1 ZINC000183370098 385757131 /nfs/dbraw/zinc/75/71/31/385757131.db2.gz MJVIZETUFXMCBS-GFCCVEGCSA-N 0 1 235.327 2.131 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000062134411 385762315 /nfs/dbraw/zinc/76/23/15/385762315.db2.gz CZNOPDGCSGIBSR-SSDOTTSWSA-N 0 1 245.731 2.308 20 0 BEADMN CO[C@H]1CCN(Cc2ncc(C)s2)[C@H](C)C1 ZINC000282443659 385764299 /nfs/dbraw/zinc/76/42/99/385764299.db2.gz SARXMKVRHHCPOL-KOLCDFICSA-N 0 1 240.372 2.451 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1nc(C)cs1 ZINC000336701407 385764423 /nfs/dbraw/zinc/76/44/23/385764423.db2.gz PTFPRVMMZVBTIU-SNVBAGLBSA-N 0 1 228.361 2.044 20 0 BEADMN c1[nH]nnc1CCOCCC1=CCCCC1 ZINC000521412884 385768361 /nfs/dbraw/zinc/76/83/61/385768361.db2.gz QTXFKZDJHBOFKE-UHFFFAOYSA-N 0 1 221.304 2.254 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](O)C2)o1 ZINC000271006408 385770672 /nfs/dbraw/zinc/77/06/72/385770672.db2.gz NKUIVHGSZFXYFH-MDZLAQPJSA-N 0 1 235.327 2.360 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc(C2CC2)n1)N(C)C ZINC000294010658 385787546 /nfs/dbraw/zinc/78/75/46/385787546.db2.gz VXQMTAZJDPICJP-LBPRGKRZSA-N 0 1 247.342 2.238 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(O)CC2)o1 ZINC000271045277 385773939 /nfs/dbraw/zinc/77/39/39/385773939.db2.gz QJWPKJBXKROKQG-MFKMUULPSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@@H](CN1CC(=O)NCC1(C)C)c1ccccc1 ZINC000282735275 385783172 /nfs/dbraw/zinc/78/31/72/385783172.db2.gz MUWASFMTORCOBQ-LBPRGKRZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@@H]1C[C@@H]1CN[C@@H](CO)c1c(F)cccc1F ZINC000488436577 385783684 /nfs/dbraw/zinc/78/36/84/385783684.db2.gz XOEHOAUNFGIXCV-LNLATYFQSA-N 0 1 241.281 2.244 20 0 BEADMN C[C@@H](NCc1c[nH]cn1)c1ccc2n[nH]cc2c1 ZINC000353103862 385719309 /nfs/dbraw/zinc/71/93/09/385719309.db2.gz UDKRENHAKCRWFU-SECBINFHSA-N 0 1 241.298 2.137 20 0 BEADMN c1nc(CNC[C@@H]2CCCCS2)co1 ZINC000336691161 385726411 /nfs/dbraw/zinc/72/64/11/385726411.db2.gz PIANSGJSACRFRJ-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN COCc1cnc(CN[C@@H]2CC[C@H](F)C2)s1 ZINC000336691094 385726960 /nfs/dbraw/zinc/72/69/60/385726960.db2.gz KMOHWINQBFOLES-DTWKUNHWSA-N 0 1 244.335 2.270 20 0 BEADMN Cc1ccoc1CN[C@H]1CCCc2nn(C)cc21 ZINC000282917040 385798028 /nfs/dbraw/zinc/79/80/28/385798028.db2.gz GYGYFSVQTDNXLS-LBPRGKRZSA-N 0 1 245.326 2.489 20 0 BEADMN COC(C)(C)CNc1ccnc(C)c1Cl ZINC000336711077 385800371 /nfs/dbraw/zinc/80/03/71/385800371.db2.gz UGYANQNIANIPIZ-UHFFFAOYSA-N 0 1 228.723 2.302 20 0 BEADMN c1csc(CN2CCN(C3CCC3)CC2)c1 ZINC000271191663 385801361 /nfs/dbraw/zinc/80/13/61/385801361.db2.gz PVVIVVDZTPORCM-UHFFFAOYSA-N 0 1 236.384 2.418 20 0 BEADMN COC(=O)c1ccc(CN2CCC(C)CC2)[nH]1 ZINC000261098658 385804768 /nfs/dbraw/zinc/80/47/68/385804768.db2.gz XSLAHKMWCDAYSF-UHFFFAOYSA-N 0 1 236.315 2.033 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1ccn(C)n1 ZINC000271233652 385808084 /nfs/dbraw/zinc/80/80/84/385808084.db2.gz VSPKITNXHQGJGB-NSHDSACASA-N 0 1 241.404 2.384 20 0 BEADMN Fc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000294132903 385811299 /nfs/dbraw/zinc/81/12/99/385811299.db2.gz UPGVZSCWWVVFLN-UHFFFAOYSA-N 0 1 221.275 2.048 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000261571218 385819179 /nfs/dbraw/zinc/81/91/79/385819179.db2.gz KXYXXOPBYGTZPZ-MGPQQGTHSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)CCCC2CC2)n[nH]1 ZINC000643232005 385835146 /nfs/dbraw/zinc/83/51/46/385835146.db2.gz TXBOFOVKYJMDBP-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN CCCCN(C)C(C)(C)C(=O)OCC ZINC000112356396 385842068 /nfs/dbraw/zinc/84/20/68/385842068.db2.gz FPUYXNLWPXNWMQ-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN c1nn[n-]c1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000283969371 385843859 /nfs/dbraw/zinc/84/38/59/385843859.db2.gz LYJHSWNKRDNKMC-KGLIPLIRSA-N 0 1 242.326 2.231 20 0 BEADMN CO[C@@H](C)CN(Cc1ccns1)C(C)C ZINC000638114040 385848909 /nfs/dbraw/zinc/84/89/09/385848909.db2.gz WQWBXSOWDQDRHE-JTQLQIEISA-N 0 1 228.361 2.388 20 0 BEADMN CC1(C)C[C@@H]1N[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294697067 385883985 /nfs/dbraw/zinc/88/39/85/385883985.db2.gz IVIQRBJKLDKJPQ-UWVGGRQHSA-N 0 1 248.355 2.344 20 0 BEADMN CC(=O)c1cccc(CN2CCCC[C@@H]2CO)c1 ZINC000294779469 385893425 /nfs/dbraw/zinc/89/34/25/385893425.db2.gz AKNVHSRZOMCISL-OAHLLOKOSA-N 0 1 247.338 2.236 20 0 BEADMN CC[C@H]1CCCN(Cc2nccnc2OC)C1 ZINC000294789714 385894914 /nfs/dbraw/zinc/89/49/14/385894914.db2.gz KQWAMQLQNUIZME-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN COC[C@H](N[C@@H]1CCSC1)c1ccco1 ZINC000122299608 385897701 /nfs/dbraw/zinc/89/77/01/385897701.db2.gz LBOADGMXGGSPAK-ZJUUUORDSA-N 0 1 227.329 2.062 20 0 BEADMN COc1nccnc1CN1CC[C@H](CC(C)C)C1 ZINC000294877925 385906833 /nfs/dbraw/zinc/90/68/33/385906833.db2.gz QODMHLVGXAXIQN-GFCCVEGCSA-N 0 1 249.358 2.353 20 0 BEADMN FC(F)CSc1nc(-c2cccnc2)n[nH]1 ZINC000112770893 385910769 /nfs/dbraw/zinc/91/07/69/385910769.db2.gz MEVPUQXDCKSYHL-UHFFFAOYSA-N 0 1 242.254 2.224 20 0 BEADMN CSCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285272477 385911099 /nfs/dbraw/zinc/91/10/99/385911099.db2.gz DUVXRRPDIOIHHX-NSHDSACASA-N 0 1 225.361 2.300 20 0 BEADMN CC[C@@H](C)CCC(=O)NCc1cn[nH]c1C ZINC000285331023 385915547 /nfs/dbraw/zinc/91/55/47/385915547.db2.gz GDSZMQWWVCQPDW-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN CS[C@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000294923240 385916754 /nfs/dbraw/zinc/91/67/54/385916754.db2.gz BAFGWSWKLGTHAD-LBPRGKRZSA-N 0 1 247.367 2.272 20 0 BEADMN COC[C@H](N[C@H]1CSC[C@H]1C)c1ccco1 ZINC000294935858 385922000 /nfs/dbraw/zinc/92/20/00/385922000.db2.gz BLFLHUYBUUSWMQ-VWYCJHECSA-N 0 1 241.356 2.308 20 0 BEADMN COC[C@H](N[C@@H]1CSC[C@H]1C)c1ccco1 ZINC000294935855 385922565 /nfs/dbraw/zinc/92/25/65/385922565.db2.gz BLFLHUYBUUSWMQ-OUAUKWLOSA-N 0 1 241.356 2.308 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)CCC1CC1 ZINC000294952631 385924954 /nfs/dbraw/zinc/92/49/54/385924954.db2.gz CEVZIFAGLCBQMM-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN c1coc(C2=CCC[N@@H+](Cc3c[nH]cn3)C2)c1 ZINC000285410170 385925183 /nfs/dbraw/zinc/92/51/83/385925183.db2.gz USBFFJGSMHVVPF-UHFFFAOYSA-N 0 1 229.283 2.292 20 0 BEADMN COC(=O)c1ccc(CN2CCCC[C@@H]2C)[nH]1 ZINC000272711591 385926488 /nfs/dbraw/zinc/92/64/88/385926488.db2.gz BIQSBQZPIWKFBE-JTQLQIEISA-N 0 1 236.315 2.176 20 0 BEADMN c1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285458600 385927040 /nfs/dbraw/zinc/92/70/40/385927040.db2.gz ZCFURYOITOYQSE-HNNXBMFYSA-N 0 1 247.338 2.068 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccncc1F ZINC000337949118 385859529 /nfs/dbraw/zinc/85/95/29/385859529.db2.gz MMBFJGNWZFUDOR-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN CCCC(CCC)C(=O)NCCN1CCC1 ZINC000337973655 385864688 /nfs/dbraw/zinc/86/46/88/385864688.db2.gz CKFMMCSVMMOMFN-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN c1csc([C@@H]2CCCN2Cc2c[nH]nn2)c1 ZINC000284410086 385869176 /nfs/dbraw/zinc/86/91/76/385869176.db2.gz XCBBJEPRGWWMHI-JTQLQIEISA-N 0 1 234.328 2.203 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C2CC=CC2)c1 ZINC000272037270 385870034 /nfs/dbraw/zinc/87/00/34/385870034.db2.gz CAKODXMRUYUEAY-UHFFFAOYSA-N 0 1 245.278 2.500 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCCC1CC1 ZINC000643238347 385876242 /nfs/dbraw/zinc/87/62/42/385876242.db2.gz UJOCCIYZCBEXSC-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC2CC2)[C@@H](C)CN1C ZINC000643238346 385876259 /nfs/dbraw/zinc/87/62/59/385876259.db2.gz UJOCCIYZCBEXSC-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1F ZINC000338014961 385879095 /nfs/dbraw/zinc/87/90/95/385879095.db2.gz INELLASUAAKVOU-QWRGUYRKSA-N 0 1 249.333 2.108 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)[nH]1 ZINC000272739260 385928251 /nfs/dbraw/zinc/92/82/51/385928251.db2.gz KMRFKIXEFXCVSW-UWVGGRQHSA-N 0 1 236.315 2.032 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000262737589 385879773 /nfs/dbraw/zinc/87/97/73/385879773.db2.gz AVBDBNOWHQCNTD-AAEUAGOBSA-N 0 1 248.326 2.036 20 0 BEADMN CCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000294664630 385880018 /nfs/dbraw/zinc/88/00/18/385880018.db2.gz ACNPUFNNTLXKBW-YPMHNXCESA-N 0 1 249.358 2.166 20 0 BEADMN CCC1(CNC(=O)c2ccc3cncn3c2)CC1 ZINC000284701557 385882624 /nfs/dbraw/zinc/88/26/24/385882624.db2.gz DHDPPVKZODGGOF-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CS[C@@H](C)Cc1nc([C@@H](N)CC(C)C)no1 ZINC000414620035 385975813 /nfs/dbraw/zinc/97/58/13/385975813.db2.gz PAFUOHBDMVNZHQ-IUCAKERBSA-N 0 1 243.376 2.410 20 0 BEADMN C[C@@H](NCCOCC1CC1)c1ccc(F)cn1 ZINC000221056085 385980014 /nfs/dbraw/zinc/98/00/14/385980014.db2.gz DVQSOOXNLZYCCI-SNVBAGLBSA-N 0 1 238.306 2.298 20 0 BEADMN CN(Cc1cccc(Cl)n1)CC(C)(C)CO ZINC000295156237 385981931 /nfs/dbraw/zinc/98/19/31/385981931.db2.gz DSKXVEFZWDDVOI-UHFFFAOYSA-N 0 1 242.750 2.185 20 0 BEADMN C[C@@H]1CNCCN1C(=O)CC1(C)CCCCC1 ZINC000335021605 385982839 /nfs/dbraw/zinc/98/28/39/385982839.db2.gz TWBBXEDUVRXTRX-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](c1ccccc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338375573 385983001 /nfs/dbraw/zinc/98/30/01/385983001.db2.gz HMSFPBDOQBHSHE-QLFBSQMISA-N 0 1 247.338 2.237 20 0 BEADMN CC[C@H](CO)N(C)Cc1cc(OC)ccc1F ZINC000295168149 385983029 /nfs/dbraw/zinc/98/30/29/385983029.db2.gz TXANEIFFHFQAIC-LLVKDONJSA-N 0 1 241.306 2.037 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H](C)c2nccs2)C1 ZINC000414135139 385983362 /nfs/dbraw/zinc/98/33/62/385983362.db2.gz DEYPGFBDWQXPRM-BBBLOLIVSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1C(=O)[O-] ZINC000309131384 385983912 /nfs/dbraw/zinc/98/39/12/385983912.db2.gz GWBVIQPGUJPQTM-ONGXEEELSA-N 0 1 239.340 2.291 20 0 BEADMN CC[C@@H](NCCF)c1c(C)nn(C)c1C ZINC000336748438 385984292 /nfs/dbraw/zinc/98/42/92/385984292.db2.gz CRVVMWNAHINUEB-SNVBAGLBSA-N 0 1 213.300 2.047 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1C(=O)[O-] ZINC000309131382 385984366 /nfs/dbraw/zinc/98/43/66/385984366.db2.gz GWBVIQPGUJPQTM-KOLCDFICSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1C(=O)[O-] ZINC000309131380 385984529 /nfs/dbraw/zinc/98/45/29/385984529.db2.gz GWBVIQPGUJPQTM-GXSJLCMTSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1C(=O)[O-] ZINC000309131383 385985769 /nfs/dbraw/zinc/98/57/69/385985769.db2.gz GWBVIQPGUJPQTM-MWLCHTKSSA-N 0 1 239.340 2.291 20 0 BEADMN CN(Cc1ccc(Cl)cc1)C(=O)c1cnc[nH]1 ZINC000334321074 385986298 /nfs/dbraw/zinc/98/62/98/385986298.db2.gz WMFXYVJIRAUURD-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN C[C@@H](CCO)NCc1c(F)cccc1Cl ZINC000096811334 385986681 /nfs/dbraw/zinc/98/66/81/385986681.db2.gz MCKOKXYUKAXOCY-QMMMGPOBSA-N 0 1 231.698 2.340 20 0 BEADMN C[C@H](NCCOCC(F)F)c1ccncc1F ZINC000338363645 385988565 /nfs/dbraw/zinc/98/85/65/385988565.db2.gz ANXRJNFFLRGLQR-QMMMGPOBSA-N 0 1 248.248 2.153 20 0 BEADMN CCc1cc(C(=O)N(CC(C)(C)C)OC)[nH]n1 ZINC000286059871 385990682 /nfs/dbraw/zinc/99/06/82/385990682.db2.gz AKNKNPRULRCWNR-UHFFFAOYSA-N 0 1 239.319 2.022 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1C(=O)[O-] ZINC000309152677 385991975 /nfs/dbraw/zinc/99/19/75/385991975.db2.gz UOQWNRPZLPWXFG-KOLCDFICSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1C(=O)[O-] ZINC000309152676 385992094 /nfs/dbraw/zinc/99/20/94/385992094.db2.gz UOQWNRPZLPWXFG-GXSJLCMTSA-N 0 1 239.340 2.291 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@H](C)C2)[nH]1 ZINC000272770717 385932076 /nfs/dbraw/zinc/93/20/76/385932076.db2.gz SJWHQNQFIYLYCK-JTQLQIEISA-N 0 1 236.315 2.033 20 0 BEADMN C[C@H](NCCO)c1csc(-c2ccccc2)n1 ZINC000414056845 385933195 /nfs/dbraw/zinc/93/31/95/385933195.db2.gz DXCHVZAMEWVSDH-JTQLQIEISA-N 0 1 248.351 2.453 20 0 BEADMN C[C@H](N[C@H]1CCCOC1)c1c(F)cncc1F ZINC000285501825 385934133 /nfs/dbraw/zinc/93/41/33/385934133.db2.gz CWZQVPMADJNNEH-IUCAKERBSA-N 0 1 242.269 2.189 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H](C2CCCC2)C1 ZINC000335040611 385934512 /nfs/dbraw/zinc/93/45/12/385934512.db2.gz YHHPXMDLFRNFCP-LLVKDONJSA-N 0 1 233.315 2.062 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc[nH]2)C1 ZINC000335045243 385938043 /nfs/dbraw/zinc/93/80/43/385938043.db2.gz QWVWNYRTDOIYOH-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN CCOc1cccc(CN[C@@H]2C[C@@H]2C(F)F)n1 ZINC000342185289 385942653 /nfs/dbraw/zinc/94/26/53/385942653.db2.gz CJWYTGFGTAXTSD-VHSXEESVSA-N 0 1 242.269 2.224 20 0 BEADMN C[C@@H](NCCc1ccco1)c1cc2n(n1)CCC2 ZINC000414073208 385946123 /nfs/dbraw/zinc/94/61/23/385946123.db2.gz VUXZRUHDFZMQEJ-LLVKDONJSA-N 0 1 245.326 2.316 20 0 BEADMN c1cc([C@@H]2CCCN2CCc2cccnc2)n[nH]1 ZINC000285593960 385947142 /nfs/dbraw/zinc/94/71/42/385947142.db2.gz BQRWWYDBZZKDGI-AWEZNQCLSA-N 0 1 242.326 2.184 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)no1 ZINC000335051006 385948157 /nfs/dbraw/zinc/94/81/57/385948157.db2.gz NNHXTJAEZRHXMQ-PSASIEDQSA-N 0 1 209.293 2.141 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)no1 ZINC000335051008 385948904 /nfs/dbraw/zinc/94/89/04/385948904.db2.gz NNHXTJAEZRHXMQ-SCZZXKLOSA-N 0 1 209.293 2.141 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000273032177 385961746 /nfs/dbraw/zinc/96/17/46/385961746.db2.gz FUDCZOIHMSQGHN-GAFUQQFSSA-N 0 1 247.342 2.369 20 0 BEADMN CCc1ccc([C@H](C)N[C@H]2C=C[C@@H](CO)C2)o1 ZINC000345049919 385964074 /nfs/dbraw/zinc/96/40/74/385964074.db2.gz HMKSJXNUBGGHIQ-TUAOUCFPSA-N 0 1 235.327 2.430 20 0 BEADMN c1cc(CN[C@H]2CCc3ccccc3OC2)no1 ZINC000338321374 385967825 /nfs/dbraw/zinc/96/78/25/385967825.db2.gz HHJIRCYRLBGBDS-ZDUSSCGKSA-N 0 1 244.294 2.158 20 0 BEADMN CN(Cc1cccn1C)[C@H](CO)c1ccccc1 ZINC000295100727 385968355 /nfs/dbraw/zinc/96/83/55/385968355.db2.gz SSPVCHPJLPJCAJ-OAHLLOKOSA-N 0 1 244.338 2.191 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414108909 385969532 /nfs/dbraw/zinc/96/95/32/385969532.db2.gz KGUQFYNYECPMCD-CYZMBNFOSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C3CCCC3)C2)n[nH]1 ZINC000335014787 385971328 /nfs/dbraw/zinc/97/13/28/385971328.db2.gz RWIHLSHQWCIIPL-LBPRGKRZSA-N 0 1 247.342 2.370 20 0 BEADMN CCOC[C@H](N[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414123373 385972392 /nfs/dbraw/zinc/97/23/92/385972392.db2.gz BEYCWLYYUHIMBD-AAEUAGOBSA-N 0 1 239.363 2.132 20 0 BEADMN C[C@H](O)CN1CC(Cc2ccccc2Cl)C1 ZINC000414147003 385994454 /nfs/dbraw/zinc/99/44/54/385994454.db2.gz MBGBHXXESZPFRV-JTQLQIEISA-N 0 1 239.746 2.195 20 0 BEADMN CCC(O)(CC)CCN[C@H](C)c1ccn(C)n1 ZINC000414125806 385974667 /nfs/dbraw/zinc/97/46/67/385974667.db2.gz DJKQNSYYZIKGCC-LLVKDONJSA-N 0 1 239.363 2.012 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccn(C)n1)OC ZINC000414148582 385997741 /nfs/dbraw/zinc/99/77/41/385997741.db2.gz SWNHWGSVDXQUGP-GMXVVIOVSA-N 0 1 239.363 2.132 20 0 BEADMN CO[C@@H](C[N@H+]1CCOC2(CCCC2)C1)C1CC1 ZINC000425419545 385998007 /nfs/dbraw/zinc/99/80/07/385998007.db2.gz JXXMCFRHJYGUBH-ZDUSSCGKSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H]1CN(Cc2conc2C)CCS1 ZINC000295262434 386002651 /nfs/dbraw/zinc/00/26/51/386002651.db2.gz HAGSGZRAUNRRMC-NSHDSACASA-N 0 1 226.345 2.310 20 0 BEADMN CCN1C[C@@H](C)N(c2ncccc2F)C[C@H]1C ZINC000345192653 386055970 /nfs/dbraw/zinc/05/59/70/386055970.db2.gz VGWUTEQDBJPVJQ-GHMZBOCLSA-N 0 1 237.322 2.140 20 0 BEADMN CN(Cc1nccn1C)C[C@@H]1CC=CCC1 ZINC000273524515 386009550 /nfs/dbraw/zinc/00/95/50/386009550.db2.gz JXIOMPORMBXFDG-GFCCVEGCSA-N 0 1 219.332 2.208 20 0 BEADMN CO[C@H](CNCc1csc(C)n1)C(C)C ZINC000336752301 386015387 /nfs/dbraw/zinc/01/53/87/386015387.db2.gz GDBSBNAODOHJDY-LLVKDONJSA-N 0 1 228.361 2.212 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@H](C)c2nccn2C)C12CCC2 ZINC000414170965 386015924 /nfs/dbraw/zinc/01/59/24/386015924.db2.gz CIRPMGYTDPBIDZ-IJLUTSLNSA-N 0 1 249.358 2.028 20 0 BEADMN CC[C@@H](C)n1nc(NCc2cn[nH]c2C)cc1C ZINC000345156794 386016586 /nfs/dbraw/zinc/01/65/86/386016586.db2.gz CEIAUBAQSOPWOY-SECBINFHSA-N 0 1 247.346 2.228 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(F)F ZINC000307752648 386021749 /nfs/dbraw/zinc/02/17/49/386021749.db2.gz SGISZRNQTFUWIV-BZNPZCIMSA-N 0 1 207.264 2.186 20 0 BEADMN CCCCCCC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286316119 386024367 /nfs/dbraw/zinc/02/43/67/386024367.db2.gz KNQZZRBISIFACJ-SECBINFHSA-N 0 1 238.335 2.261 20 0 BEADMN COc1cnccc1[C@@H](C)NCC1=CCCOC1 ZINC000189553572 386024923 /nfs/dbraw/zinc/02/49/23/386024923.db2.gz OULRJWDXMPCHNX-LLVKDONJSA-N 0 1 248.326 2.088 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000334421698 386026861 /nfs/dbraw/zinc/02/68/61/386026861.db2.gz DEVISCCFLPVXII-AOOOYVTPSA-N 0 1 223.345 2.078 20 0 BEADMN Cc1cnc(CNCCNc2ccccn2)s1 ZINC000295401160 386027020 /nfs/dbraw/zinc/02/70/20/386027020.db2.gz MCCUDJLRZIVIKS-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C=C2CCCCC2)n[nH]1 ZINC000286374326 386032910 /nfs/dbraw/zinc/03/29/10/386032910.db2.gz MUZFJCZRSGWSSY-VIFPVBQESA-N 0 1 248.330 2.181 20 0 BEADMN Cc1cccc(CN2CCSC[C@@H]2C)n1 ZINC000334428201 386037016 /nfs/dbraw/zinc/03/70/16/386037016.db2.gz SCPDQKVHBGOYBD-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CCc1ccc(CN(C)CCc2cnccn2)o1 ZINC000273803979 386038175 /nfs/dbraw/zinc/03/81/75/386038175.db2.gz XNNWWKSUFRCUKH-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CC(C)C[C@H](C)Cn1cc(CNC2CC2)nn1 ZINC000309988505 386039111 /nfs/dbraw/zinc/03/91/11/386039111.db2.gz DGJISPMLOLGXQW-NSHDSACASA-N 0 1 236.363 2.212 20 0 BEADMN Cc1noc([C@@H](C)NC[C@@H]2CC=CCC2)n1 ZINC000336728063 386041236 /nfs/dbraw/zinc/04/12/36/386041236.db2.gz CETBWGFYIYRJQX-MWLCHTKSSA-N 0 1 221.304 2.385 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC(C2CC2)C1 ZINC000643287542 386057407 /nfs/dbraw/zinc/05/74/07/386057407.db2.gz PDCIZYFTNPKIAO-UHFFFAOYSA-N 0 1 235.258 2.013 20 0 BEADMN COC[C@H]1C[N@H+]([C@@H]2/C=C/CCCCC2)CCO1 ZINC000334440125 386049960 /nfs/dbraw/zinc/04/99/60/386049960.db2.gz VWWUDCGMOAFKNY-VTGPQGOBSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@H]1CN([C@@H]2/C=C/CCCCC2)CCO1 ZINC000334440125 386049965 /nfs/dbraw/zinc/04/99/65/386049965.db2.gz VWWUDCGMOAFKNY-VTGPQGOBSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334433562 386055084 /nfs/dbraw/zinc/05/50/84/386055084.db2.gz MTXOVYBYDBZDMF-AOOOYVTPSA-N 0 1 247.342 2.405 20 0 BEADMN NC1(c2noc(-c3cccc(O)c3)n2)CCCC1 ZINC000414626552 385995538 /nfs/dbraw/zinc/99/55/38/385995538.db2.gz YLHXCEVROVDXHH-UHFFFAOYSA-N 0 1 245.282 2.170 20 0 BEADMN CC[C@@H]1CC[C@H]1N[C@H](C)c1csnn1 ZINC000414290640 386101025 /nfs/dbraw/zinc/10/10/25/386101025.db2.gz AFMSSDHJPKXBJN-IWSPIJDZSA-N 0 1 211.334 2.377 20 0 BEADMN CCc1nc(CN(Cc2ccco2)C(C)C)n[nH]1 ZINC000274592688 386123366 /nfs/dbraw/zinc/12/33/66/386123366.db2.gz KFIQCHOYFFBWLM-UHFFFAOYSA-N 0 1 248.330 2.371 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccc(C)c(C)c1 ZINC000037982992 386107622 /nfs/dbraw/zinc/10/76/22/386107622.db2.gz GFYASZJSCKRHNQ-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN COc1nccnc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000296021647 386124292 /nfs/dbraw/zinc/12/42/92/386124292.db2.gz MLKOLNQRTNOJPE-LBPRGKRZSA-N 0 1 247.342 2.107 20 0 BEADMN C[C@H](NCc1nnc(C2CC2)s1)C1CC1 ZINC000414325476 386120080 /nfs/dbraw/zinc/12/00/80/386120080.db2.gz MFRXJXYLRVFIJW-ZETCQYMHSA-N 0 1 223.345 2.304 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000365479826 386121757 /nfs/dbraw/zinc/12/17/57/386121757.db2.gz WKCXFDYXALMGIO-ZOWXZIJZSA-N 0 1 231.405 2.123 20 0 BEADMN CC[C@@H](C)[C@@H](OC)c1nc(C2(N)CCC2)no1 ZINC000414648874 386064474 /nfs/dbraw/zinc/06/44/74/386064474.db2.gz SMVVHPAYXJZJKP-RKDXNWHRSA-N 0 1 239.319 2.141 20 0 BEADMN CCc1cccc(CN2CC[C@@](F)(CO)C2)c1 ZINC000338593316 386066926 /nfs/dbraw/zinc/06/69/26/386066926.db2.gz JHVAZGKVDIIHCI-AWEZNQCLSA-N 0 1 237.318 2.155 20 0 BEADMN COc1nccnc1CN1CCC[C@H](C2CC2)C1 ZINC000296021647 386124299 /nfs/dbraw/zinc/12/42/99/386124299.db2.gz MLKOLNQRTNOJPE-LBPRGKRZSA-N 0 1 247.342 2.107 20 0 BEADMN CCc1ccc(CN2CCOC[C@@H](C)C2)nc1 ZINC000334440886 386069764 /nfs/dbraw/zinc/06/97/64/386069764.db2.gz YJNMMYFECPQSNI-LBPRGKRZSA-N 0 1 234.343 2.112 20 0 BEADMN Cc1n[nH]c(C(=O)NCCCC(C)(F)F)c1C ZINC000295678141 386071409 /nfs/dbraw/zinc/07/14/09/386071409.db2.gz XYDCSAYVSQCKQR-UHFFFAOYSA-N 0 1 245.273 2.192 20 0 BEADMN C[C@H]1C[C@@H](N[C@H]2CC2(C)C)c2nccn21 ZINC000414217142 386073855 /nfs/dbraw/zinc/07/38/55/386073855.db2.gz BNYWLCGZVLQILW-AEJSXWLSSA-N 0 1 205.305 2.277 20 0 BEADMN CC[C@H](F)CN1CCC[C@H](n2cccn2)C1 ZINC000440690467 386075400 /nfs/dbraw/zinc/07/54/00/386075400.db2.gz FIOLGIZOFGUXOX-RYUDHWBXSA-N 0 1 225.311 2.268 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CS[C@H](C)C2)nn1C ZINC000414226630 386075970 /nfs/dbraw/zinc/07/59/70/386075970.db2.gz KCNHTECVAPVASP-OUAUKWLOSA-N 0 1 239.388 2.273 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)c1cnc[nH]1 ZINC000295759768 386081573 /nfs/dbraw/zinc/08/15/73/386081573.db2.gz JQCRXZXSQUMAEU-ZDUSSCGKSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@H](NCc1nc2ncccn2n1)C(C)(C)C ZINC000414268782 386086521 /nfs/dbraw/zinc/08/65/21/386086521.db2.gz KGDUAJQBWDICBT-JTQLQIEISA-N 0 1 247.346 2.039 20 0 BEADMN CCC1(NC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000295817365 386088971 /nfs/dbraw/zinc/08/89/71/386088971.db2.gz HKJQDOOFLOTRRP-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN C[C@@H]1CN(Cc2ncc(C3CC3)o2)C[C@H](C)N1C ZINC000334452624 386092808 /nfs/dbraw/zinc/09/28/08/386092808.db2.gz YWFYVUIVTFTBTN-PHIMTYICSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1ocnc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000338676897 386098479 /nfs/dbraw/zinc/09/84/79/386098479.db2.gz RVACECXWTNGGKN-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CO[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000274728299 386144378 /nfs/dbraw/zinc/14/43/78/386144378.db2.gz TXSGNZDNOUMELT-YFKPBYRVSA-N 0 1 247.653 2.158 20 0 BEADMN COc1nccc(CN2CC(C)(C)[C@H]2C(C)C)n1 ZINC000296196676 386149049 /nfs/dbraw/zinc/14/90/49/386149049.db2.gz YXDZVPNYIDALCL-GFCCVEGCSA-N 0 1 249.358 2.352 20 0 BEADMN COCCC[N@@H+](CCOC)Cc1ccoc1C ZINC000414369079 386153566 /nfs/dbraw/zinc/15/35/66/386153566.db2.gz HXXIRTFPMKILCJ-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)co1 ZINC000130965612 386190125 /nfs/dbraw/zinc/19/01/25/386190125.db2.gz MBDOBMRPNSXGHC-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000288054244 386164118 /nfs/dbraw/zinc/16/41/18/386164118.db2.gz FVANETNUUVGALC-LLVKDONJSA-N 0 1 247.342 2.340 20 0 BEADMN Fc1cc(CNC[C@H]2CCCCO2)c(F)cn1 ZINC000296349772 386165922 /nfs/dbraw/zinc/16/59/22/386165922.db2.gz IWGXVEXUOURBGW-SNVBAGLBSA-N 0 1 242.269 2.019 20 0 BEADMN Fc1cc(CNC[C@@H]2CCCCO2)c(F)cn1 ZINC000296349768 386167164 /nfs/dbraw/zinc/16/71/64/386167164.db2.gz IWGXVEXUOURBGW-JTQLQIEISA-N 0 1 242.269 2.019 20 0 BEADMN C[C@H](CNc1ncnc2[nH]cnc21)CC(F)F ZINC000645304989 386168951 /nfs/dbraw/zinc/16/89/51/386168951.db2.gz KLVVVCSWRCSZMF-LURJTMIESA-N 0 1 241.245 2.008 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000263765100 386174998 /nfs/dbraw/zinc/17/49/98/386174998.db2.gz YPVBZMSYVFOAAP-CHWSQXEVSA-N 0 1 247.338 2.346 20 0 BEADMN CN(CC(C)(C)C)[C@H](C(N)=O)c1ccccc1 ZINC000263790185 386177948 /nfs/dbraw/zinc/17/79/48/386177948.db2.gz NGDXZPXIUUADHZ-LBPRGKRZSA-N 0 1 234.343 2.191 20 0 BEADMN CSc1n[nH]c(NC(=O)CC2CCCC2)n1 ZINC000263860890 386185362 /nfs/dbraw/zinc/18/53/62/386185362.db2.gz IAFLUHCJGYFHEI-UHFFFAOYSA-N 0 1 240.332 2.045 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000647879855 386186238 /nfs/dbraw/zinc/18/62/38/386186238.db2.gz NHLWUXNKZUMGOV-KCJUWKMLSA-N 0 1 240.734 2.255 20 0 BEADMN COc1nccnc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000296021634 386124605 /nfs/dbraw/zinc/12/46/05/386124605.db2.gz MLKOLNQRTNOJPE-GFCCVEGCSA-N 0 1 247.342 2.107 20 0 BEADMN COc1nccnc1CN1CCC[C@@H](C2CC2)C1 ZINC000296021634 386124611 /nfs/dbraw/zinc/12/46/11/386124611.db2.gz MLKOLNQRTNOJPE-GFCCVEGCSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cncc(C)c1 ZINC000274606337 386125646 /nfs/dbraw/zinc/12/56/46/386125646.db2.gz MLOMATXEIAIALO-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C(C)C ZINC000112858803 386126949 /nfs/dbraw/zinc/12/69/49/386126949.db2.gz PIDTWUZGPZCYJS-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN c1coc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000054444842 386128353 /nfs/dbraw/zinc/12/83/53/386128353.db2.gz CKVSLAKHJOCVSS-QMMMGPOBSA-N 0 1 219.244 2.144 20 0 BEADMN CC(=O)CCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000274614335 386129169 /nfs/dbraw/zinc/12/91/69/386129169.db2.gz ITVQYSPEEQUMML-UHFFFAOYSA-N 0 1 245.282 2.261 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](CO)C2)no1 ZINC000414341638 386132403 /nfs/dbraw/zinc/13/24/03/386132403.db2.gz OPGJFJMFJUMBKR-QJPTWQEYSA-N 0 1 238.331 2.185 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1csc(Cl)n1 ZINC000296095425 386135295 /nfs/dbraw/zinc/13/52/95/386135295.db2.gz UFRJQINLGBLDBI-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN CC[N@H+]1CC[C@@H](N[C@H](C)c2cc(C)ccn2)C1 ZINC000414354110 386140972 /nfs/dbraw/zinc/14/09/72/386140972.db2.gz ZSEUBPVKXWASAT-CHWSQXEVSA-N 0 1 233.359 2.135 20 0 BEADMN CC(C)(O)C1CN(Cc2ccccc2F)C1 ZINC000297464681 386259514 /nfs/dbraw/zinc/25/95/14/386259514.db2.gz RVKUYLVHMUTTMK-UHFFFAOYSA-N 0 1 223.291 2.028 20 0 BEADMN CCC[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000347062191 386208692 /nfs/dbraw/zinc/20/86/92/386208692.db2.gz WVVRNYUPSQZOIL-NEPJUHHUSA-N 0 1 236.363 2.388 20 0 BEADMN CC(C)C[C@H]1CCN([C@@H](C)c2nncn2C)C1 ZINC000347073624 386215302 /nfs/dbraw/zinc/21/53/02/386215302.db2.gz KNEPNPBXCGYSKY-NWDGAFQWSA-N 0 1 236.363 2.244 20 0 BEADMN CC1(C)SC[C@@H]1NCc1cc(F)ncc1F ZINC000297041341 386221677 /nfs/dbraw/zinc/22/16/77/386221677.db2.gz XXZVTJAXXGMLTP-VIFPVBQESA-N 0 1 244.310 2.343 20 0 BEADMN C[C@@H](NCc1cscn1)[C@H](O)c1ccccc1 ZINC000288619680 386222217 /nfs/dbraw/zinc/22/22/17/386222217.db2.gz RMGRXDAUKPTWRQ-MFKMUULPSA-N 0 1 248.351 2.355 20 0 BEADMN O=C(C=C1CCC1)NCc1ccc2cncn2c1 ZINC000297133479 386227897 /nfs/dbraw/zinc/22/78/97/386227897.db2.gz HSIPLOOWIUJITO-UHFFFAOYSA-N 0 1 241.294 2.061 20 0 BEADMN CC[C@H](O)CN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000339060077 386229936 /nfs/dbraw/zinc/22/99/36/386229936.db2.gz SBRADLYASWQCDG-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)n1cc(CNCc2cccnc2)cn1 ZINC000226237640 386240160 /nfs/dbraw/zinc/24/01/60/386240160.db2.gz IQQFGHGRYWUMCO-UHFFFAOYSA-N 0 1 230.315 2.149 20 0 BEADMN CCN(C)[C@@H](C(=O)NC1CCC1)c1ccccc1 ZINC000264483374 386241272 /nfs/dbraw/zinc/24/12/72/386241272.db2.gz YIZMWLLXLHASLH-CQSZACIVSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@H](O)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000264483772 386241949 /nfs/dbraw/zinc/24/19/49/386241949.db2.gz VCNQKKCYZJEPDB-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275901393 386248427 /nfs/dbraw/zinc/24/84/27/386248427.db2.gz VDNKPGIEXAKNLU-CYBMUJFWSA-N 0 1 242.326 2.450 20 0 BEADMN COc1cc(CN2CC(C(C)(C)O)C2)ccc1C ZINC000297414487 386253087 /nfs/dbraw/zinc/25/30/87/386253087.db2.gz MVOHCJKNAVHKHA-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN Cc1ncc(C(=O)N2CCCCCCC2)[nH]1 ZINC000264619878 386255374 /nfs/dbraw/zinc/25/53/74/386255374.db2.gz BIJUCYRJKUKPRN-UHFFFAOYSA-N 0 1 221.304 2.124 20 0 BEADMN CN(Cc1ccoc1)C[C@H]1CCCCO1 ZINC000336646670 386255547 /nfs/dbraw/zinc/25/55/47/386255547.db2.gz LABKBZDEEYTPTG-GFCCVEGCSA-N 0 1 209.289 2.281 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000416325341 386257984 /nfs/dbraw/zinc/25/79/84/386257984.db2.gz SNAXPRCHLSLOJR-OUAUKWLOSA-N 0 1 249.358 2.190 20 0 BEADMN CCC1(C)CN(Cc2c(C)n[nH]c2C)C1 ZINC000297441345 386258074 /nfs/dbraw/zinc/25/80/74/386258074.db2.gz POGQOGHIVCSDTH-UHFFFAOYSA-N 0 1 207.321 2.258 20 0 BEADMN CCCN(C)Cc1ccnn1CC(C)C ZINC000648000822 386194269 /nfs/dbraw/zinc/19/42/69/386194269.db2.gz FUSXLWGZJVEGSV-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN C[C@@](O)(CNCc1cscn1)c1ccccc1 ZINC000264885889 386281151 /nfs/dbraw/zinc/28/11/51/386281151.db2.gz RZIWPNYUDPRWQP-CYBMUJFWSA-N 0 1 248.351 2.140 20 0 BEADMN CCCC[C@@H](COC)NCc1cc(C)n(C)n1 ZINC000414397664 386285765 /nfs/dbraw/zinc/28/57/65/386285765.db2.gz UVPYNRFKNOAXGU-LBPRGKRZSA-N 0 1 239.363 2.023 20 0 BEADMN Cc1ccncc1CN(C)CCOC1CCC1 ZINC000347223717 386288838 /nfs/dbraw/zinc/28/88/38/386288838.db2.gz XBENNWZQIBTWBZ-UHFFFAOYSA-N 0 1 234.343 2.391 20 0 BEADMN CCc1ccc(CN(C)C[C@H](C)OC)nc1 ZINC000339198200 386289141 /nfs/dbraw/zinc/28/91/41/386289141.db2.gz TVLFVINEOAABRK-NSHDSACASA-N 0 1 222.332 2.111 20 0 BEADMN Cc1ccc(CN(C)CCCOC(C)C)nn1 ZINC000414398469 386290728 /nfs/dbraw/zinc/29/07/28/386290728.db2.gz UEXOCCCIVOWPIM-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN COCc1cc(CN[C@@H]2CCC2(C)C)no1 ZINC000298068871 386295226 /nfs/dbraw/zinc/29/52/26/386295226.db2.gz KUDIOUBWMCTIPR-LLVKDONJSA-N 0 1 224.304 2.099 20 0 BEADMN CCc1ncc(CN(C)[C@H]2CCCOC2)s1 ZINC000336667604 386296141 /nfs/dbraw/zinc/29/61/41/386296141.db2.gz GQPLSOWTSQREHJ-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN FC(F)COCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000276275207 386296286 /nfs/dbraw/zinc/29/62/86/386296286.db2.gz SPZUVZVBVCKUNC-LLVKDONJSA-N 0 1 244.285 2.433 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cc(-c2cnn(C)c2)no1 ZINC000335264846 386298409 /nfs/dbraw/zinc/29/84/09/386298409.db2.gz KKYSCYYZIUXTHA-NXEZZACHSA-N 0 1 246.314 2.058 20 0 BEADMN C[C@H](CNC(=O)C(F)(F)F)Oc1ccccc1 ZINC000265050332 386300310 /nfs/dbraw/zinc/30/03/10/386300310.db2.gz MBJYWYMVYUFOGM-MRVPVSSYSA-N 0 1 247.216 2.132 20 0 BEADMN C[C@@H](CNC(=O)C(F)(F)F)Oc1ccccc1 ZINC000265050333 386300462 /nfs/dbraw/zinc/30/04/62/386300462.db2.gz MBJYWYMVYUFOGM-QMMMGPOBSA-N 0 1 247.216 2.132 20 0 BEADMN COCc1cc(CNCCC=C(C)C)no1 ZINC000298138878 386300701 /nfs/dbraw/zinc/30/07/01/386300701.db2.gz QPPDUBFUZNRXIX-UHFFFAOYSA-N 0 1 224.304 2.267 20 0 BEADMN Cc1ccc(C[N@H+]2CCS[C@@H](C)CC2)nn1 ZINC000335266219 386302542 /nfs/dbraw/zinc/30/25/42/386302542.db2.gz VWVPPGLPYLMCLV-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN Cc1ccc(CN2CCS[C@@H](C)CC2)nn1 ZINC000335266219 386302549 /nfs/dbraw/zinc/30/25/49/386302549.db2.gz VWVPPGLPYLMCLV-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN Cc1nonc1CN1CC[C@H](c2ccccc2)C1 ZINC000265095940 386305030 /nfs/dbraw/zinc/30/50/30/386305030.db2.gz CADZLIUELMOOQW-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CN(CCC(F)(F)F)[C@@H]1CCCOC1 ZINC000336672982 386305489 /nfs/dbraw/zinc/30/54/89/386305489.db2.gz NMLMGRNZDHJMIR-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN CC(C)Cn1nccc1CN(C)C1CC1 ZINC000648002010 386308299 /nfs/dbraw/zinc/30/82/99/386308299.db2.gz WHTVXGMPFWVXLY-UHFFFAOYSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1nc(CN2Cc3cccc(Cl)c3C2)n[nH]1 ZINC000298242756 386311081 /nfs/dbraw/zinc/31/10/81/386311081.db2.gz JERSIFLIOQOGQA-UHFFFAOYSA-N 0 1 248.717 2.282 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)c2cnc[nH]2)CC1 ZINC000265159246 386312412 /nfs/dbraw/zinc/31/24/12/386312412.db2.gz MNXLJTIMIOERCG-NSHDSACASA-N 0 1 235.331 2.308 20 0 BEADMN CC[C@@H](C(=O)NC(C)C)N(C)Cc1ccccc1 ZINC000339235726 386313157 /nfs/dbraw/zinc/31/31/57/386313157.db2.gz RQCJAYZBTAWAQS-AWEZNQCLSA-N 0 1 248.370 2.422 20 0 BEADMN Cc1c[nH]nc1CNCCOCc1ccccc1 ZINC000289477122 386313554 /nfs/dbraw/zinc/31/35/54/386313554.db2.gz JOVZQLLGJOTVFL-UHFFFAOYSA-N 0 1 245.326 2.025 20 0 BEADMN CN(C)[C@H](CNc1ncccn1)c1ccsc1 ZINC000298304512 386322016 /nfs/dbraw/zinc/32/20/16/386322016.db2.gz MHBLOFOREOQYSI-LLVKDONJSA-N 0 1 248.355 2.253 20 0 BEADMN CC[C@@H](C(N)=O)N1CCC[C@@H]1c1ccsc1 ZINC000339139687 386261577 /nfs/dbraw/zinc/26/15/77/386261577.db2.gz IAARFDURTAATLN-WDEREUQCSA-N 0 1 238.356 2.149 20 0 BEADMN Cc1cc(CN(C(C)C)C2CC2)nn1C ZINC000336649951 386263741 /nfs/dbraw/zinc/26/37/41/386263741.db2.gz SAKMCRRHHFCHED-UHFFFAOYSA-N 0 1 207.321 2.101 20 0 BEADMN CCC[C@H](O)CN(C)Cc1scnc1C ZINC000297540939 386264440 /nfs/dbraw/zinc/26/44/40/386264440.db2.gz PYRUTUAPTMHEIN-JTQLQIEISA-N 0 1 228.361 2.044 20 0 BEADMN Cc1noc(CN(CC(C)C)C(C)C)n1 ZINC000336651190 386265300 /nfs/dbraw/zinc/26/53/00/386265300.db2.gz URUBYABMIQOMNC-UHFFFAOYSA-N 0 1 211.309 2.244 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccncc1 ZINC000289142005 386266497 /nfs/dbraw/zinc/26/64/97/386266497.db2.gz AKABPOALYDZJAQ-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN CCc1cc(C(=O)N(C)CC(C)(C)C)n[nH]1 ZINC000339157714 386266979 /nfs/dbraw/zinc/26/69/79/386266979.db2.gz CNJQIZCTVKUKOO-UHFFFAOYSA-N 0 1 223.320 2.090 20 0 BEADMN CCOC[C@H]1CCC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000414394067 386274348 /nfs/dbraw/zinc/27/43/48/386274348.db2.gz JUZDFHYAYPWEFF-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN CCOC[C@H]1CCCN(Cc2ccc(C)nn2)C1 ZINC000414394067 386274353 /nfs/dbraw/zinc/27/43/53/386274353.db2.gz JUZDFHYAYPWEFF-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000414394065 386276617 /nfs/dbraw/zinc/27/66/17/386276617.db2.gz JUZDFHYAYPWEFF-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN CCOC[C@@H]1CCCN(Cc2ccc(C)nn2)C1 ZINC000414394065 386276620 /nfs/dbraw/zinc/27/66/20/386276620.db2.gz JUZDFHYAYPWEFF-CYBMUJFWSA-N 0 1 249.358 2.034 20 0 BEADMN C[C@H]1[C@@H](C)N(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC000416320189 386278284 /nfs/dbraw/zinc/27/82/84/386278284.db2.gz OTONBCMVDFVQGT-OPRDCNLKSA-N 0 1 247.342 2.404 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2(C)CC2)C[C@@H]1C ZINC000334491269 386344129 /nfs/dbraw/zinc/34/41/29/386344129.db2.gz WJRQVGNKLVQARF-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CCOCC[N@H+]1CC[C@@](C)(F)C1 ZINC000347351055 386346444 /nfs/dbraw/zinc/34/64/44/386346444.db2.gz MUWUUCZNYMMRJW-GFCCVEGCSA-N 0 1 217.328 2.483 20 0 BEADMN CC(C)CCOCCN1CC[C@@](C)(F)C1 ZINC000347351055 386346450 /nfs/dbraw/zinc/34/64/50/386346450.db2.gz MUWUUCZNYMMRJW-GFCCVEGCSA-N 0 1 217.328 2.483 20 0 BEADMN COCc1cc(CN[C@@H]2CC=CCC2)no1 ZINC000298457098 386347003 /nfs/dbraw/zinc/34/70/03/386347003.db2.gz OELNWLAWBPXKSH-SNVBAGLBSA-N 0 1 222.288 2.019 20 0 BEADMN CCN(C)C(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000298447169 386347467 /nfs/dbraw/zinc/34/74/67/386347467.db2.gz FOFQNIRVVLBBAP-CQSZACIVSA-N 0 1 246.354 2.084 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CC2(C)C)nn1 ZINC000335269718 386352445 /nfs/dbraw/zinc/35/24/45/386352445.db2.gz OTHCPGQYKSVASQ-NSHDSACASA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccccc1NC(=O)N1CCNC(C)(C)C1 ZINC000335269255 386352622 /nfs/dbraw/zinc/35/26/22/386352622.db2.gz LOBMIPQLAMJBCM-UHFFFAOYSA-N 0 1 247.342 2.211 20 0 BEADMN COC[C@@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000226652466 386354883 /nfs/dbraw/zinc/35/48/83/386354883.db2.gz VCMOQYOYRQUJTB-CQSZACIVSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1nocc1CNCc1ccc2c(c1)COC2 ZINC000339302462 386361735 /nfs/dbraw/zinc/36/17/35/386361735.db2.gz GPEDHLPVCHSENT-UHFFFAOYSA-N 0 1 244.294 2.303 20 0 BEADMN CCc1ncc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cn1 ZINC000335272718 386363151 /nfs/dbraw/zinc/36/31/51/386363151.db2.gz PILYAVCLQRPMJR-QWHCGFSZSA-N 0 1 231.343 2.413 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)nn1 ZINC000335272706 386363866 /nfs/dbraw/zinc/36/38/66/386363866.db2.gz PGISPHYGSIRKFJ-AAEUAGOBSA-N 0 1 217.316 2.159 20 0 BEADMN COC(C)(C)CCN[C@@H](C)c1nnc(C)s1 ZINC000336774726 386363796 /nfs/dbraw/zinc/36/37/96/386363796.db2.gz XFVRIHXPHWVNNY-QMMMGPOBSA-N 0 1 243.376 2.312 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](C)CCCCO)c1 ZINC000276692671 386364329 /nfs/dbraw/zinc/36/43/29/386364329.db2.gz SHVCHPLAUMMJPM-UHFFFAOYSA-N 0 1 225.307 2.338 20 0 BEADMN CN(Cc1ccon1)C1Cc2ccccc2C1 ZINC000265774993 386367402 /nfs/dbraw/zinc/36/74/02/386367402.db2.gz JJEUZOWRDYHGPY-UHFFFAOYSA-N 0 1 228.295 2.274 20 0 BEADMN CC(C)=CCCNC(=O)c1[nH]nc(C)c1C ZINC000276709246 386367941 /nfs/dbraw/zinc/36/79/41/386367941.db2.gz PPBZRMCKPHTVGE-UHFFFAOYSA-N 0 1 221.304 2.113 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C2(C)CC2)nc1 ZINC000336693725 386369232 /nfs/dbraw/zinc/36/92/32/386369232.db2.gz DNWYYIWIWVVQKV-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN COC[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000265788796 386370345 /nfs/dbraw/zinc/37/03/45/386370345.db2.gz LVENHDILTRHEEC-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN CCCc1noc(CN2C[C@@H](C)C[C@H]2C)n1 ZINC000336695540 386373097 /nfs/dbraw/zinc/37/30/97/386373097.db2.gz GKNBEFJDRVLNLN-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN COC[C@H]1CCN(Cc2nc(C)sc2C)C1 ZINC000336696777 386377617 /nfs/dbraw/zinc/37/76/17/386377617.db2.gz GVETUPXHIBUSDH-NSHDSACASA-N 0 1 240.372 2.228 20 0 BEADMN COC[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000347393680 386382353 /nfs/dbraw/zinc/38/23/53/386382353.db2.gz VGJGLZJWGISUNI-LLVKDONJSA-N 0 1 246.310 2.466 20 0 BEADMN CN(Cc1cccs1)Cc1n[nH]c(C2CC2)n1 ZINC000347394184 386382606 /nfs/dbraw/zinc/38/26/06/386382606.db2.gz PCJAMRQMUUZDQJ-UHFFFAOYSA-N 0 1 248.355 2.376 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)CC2)on1 ZINC000276868673 386385797 /nfs/dbraw/zinc/38/57/97/386385797.db2.gz CJSMYXRPSBNYGG-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)[C@@H](C)C2)nn1C ZINC000336681142 386338671 /nfs/dbraw/zinc/33/86/71/386338671.db2.gz ZKNRHYGJBMDAFU-MNOVXSKESA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cn[nH]c1CN1CCn2cccc2[C@@H]1C ZINC000290438914 386437077 /nfs/dbraw/zinc/43/70/77/386437077.db2.gz NQOWGKQZUZVBCT-NSHDSACASA-N 0 1 230.315 2.096 20 0 BEADMN C[C@H](NCc1ccccn1)c1cc[nH]c(=O)c1 ZINC000339458901 386439569 /nfs/dbraw/zinc/43/95/69/386439569.db2.gz CQMDDGGDRDVYPY-JTQLQIEISA-N 0 1 229.283 2.033 20 0 BEADMN CCC[C@H](CC)NC(=O)c1[nH]nc2c1CCC2 ZINC000299354259 386443776 /nfs/dbraw/zinc/44/37/76/386443776.db2.gz PYQISBGXWLLWMM-VIFPVBQESA-N 0 1 235.331 2.207 20 0 BEADMN Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000290505879 386445541 /nfs/dbraw/zinc/44/55/41/386445541.db2.gz SUUVSKLKDHWKMT-JTQLQIEISA-N 0 1 207.321 2.339 20 0 BEADMN Cc1c[nH]nc1CN(C)[C@@H](C)C1(C)CC1 ZINC000290505879 386445551 /nfs/dbraw/zinc/44/55/51/386445551.db2.gz SUUVSKLKDHWKMT-JTQLQIEISA-N 0 1 207.321 2.339 20 0 BEADMN C[C@]1(F)CCN(CCOc2ccccc2)C1 ZINC000347405187 386390336 /nfs/dbraw/zinc/39/03/36/386390336.db2.gz HXMNGQRTUDIXCR-ZDUSSCGKSA-N 0 1 223.291 2.499 20 0 BEADMN CO[C@@H](CNCc1n[nH]cc1C)c1ccccc1 ZINC000290071320 386391038 /nfs/dbraw/zinc/39/10/38/386391038.db2.gz YHAGOLSFNQEFGT-AWEZNQCLSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC(=O)N(C)C)c(C)c1 ZINC000298843410 386391740 /nfs/dbraw/zinc/39/17/40/386391740.db2.gz IAJFCCUJQHCEPV-ZDUSSCGKSA-N 0 1 248.370 2.384 20 0 BEADMN CC[C@@H](C)CNc1cnccc1-n1ccnn1 ZINC000290109867 386396092 /nfs/dbraw/zinc/39/60/92/386396092.db2.gz KYRZKEZRMQBZQD-SNVBAGLBSA-N 0 1 231.303 2.120 20 0 BEADMN Fc1cccc(CCNCc2cocn2)c1F ZINC000276969193 386397933 /nfs/dbraw/zinc/39/79/33/386397933.db2.gz FBRSNRAPPVFDLM-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CC(C)C[C@@H](N)c1noc(COCC2CC2)n1 ZINC000339394031 386402971 /nfs/dbraw/zinc/40/29/71/386402971.db2.gz NBUZJYWKHSPIRL-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccco2)o1 ZINC000417575388 386403153 /nfs/dbraw/zinc/40/31/53/386403153.db2.gz SNCVIYNASWUIEM-LLVKDONJSA-N 0 1 249.266 2.487 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@@H](C)[C@@H]1C ZINC000290188111 386404567 /nfs/dbraw/zinc/40/45/67/386404567.db2.gz ZUAUTFSJRMXLRS-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nnc(C2CC2)[nH]1 ZINC000347443090 386404737 /nfs/dbraw/zinc/40/47/37/386404737.db2.gz RFFMLXRBQHUYPY-GXSJLCMTSA-N 0 1 234.347 2.303 20 0 BEADMN c1cnc2c(c1)CN(C[C@@H]1CCCCO1)CC2 ZINC000366366476 386411281 /nfs/dbraw/zinc/41/12/81/386411281.db2.gz YWADGGVYTYRRAX-ZDUSSCGKSA-N 0 1 232.327 2.009 20 0 BEADMN C[C@H]1OCCN(CC[C@H](O)c2ccccc2)[C@H]1C ZINC000290275807 386416429 /nfs/dbraw/zinc/41/64/29/386416429.db2.gz LVYAUAARIZQSQA-GUTXKFCHSA-N 0 1 249.354 2.219 20 0 BEADMN CCC=CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000453323913 386417153 /nfs/dbraw/zinc/41/71/53/386417153.db2.gz QHOXJJDUXOWBPZ-RBWDJNPFSA-N 0 1 242.326 2.450 20 0 BEADMN CC[N@H+]1CCN(Cc2ccoc2C)[C@@H](C)C1 ZINC000414435948 386452293 /nfs/dbraw/zinc/45/22/93/386452293.db2.gz GEICTIBCMLEDRW-NSHDSACASA-N 0 1 222.332 2.114 20 0 BEADMN CC[C@H](N[C@@H](C)c1nc(C)no1)C1CC1 ZINC000639097469 386429573 /nfs/dbraw/zinc/42/95/73/386429573.db2.gz LJWYDVKTYJNNSU-XVKPBYJWSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000347523878 386430648 /nfs/dbraw/zinc/43/06/48/386430648.db2.gz CHGYUUJQZIRBIP-ONGXEEELSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nnc(C2CC2)[nH]1 ZINC000347523878 386430656 /nfs/dbraw/zinc/43/06/56/386430656.db2.gz CHGYUUJQZIRBIP-ONGXEEELSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000266411137 386432671 /nfs/dbraw/zinc/43/26/71/386432671.db2.gz ZZEKVUPOHKLAAA-NXEZZACHSA-N 0 1 249.358 2.453 20 0 BEADMN CN(Cc1ccnn1C)[C@H]1C[C@@H]1c1ccccc1 ZINC000347473495 386433250 /nfs/dbraw/zinc/43/32/50/386433250.db2.gz XRWKYTCWKQKJER-CABCVRRESA-N 0 1 241.338 2.408 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000266411143 386434728 /nfs/dbraw/zinc/43/47/28/386434728.db2.gz ZZEKVUPOHKLAAA-ZJUUUORDSA-N 0 1 249.358 2.453 20 0 BEADMN CCc1ncc(CN(C)[C@H](C)COC)s1 ZINC000266763455 386466824 /nfs/dbraw/zinc/46/68/24/386466824.db2.gz ULLSXOXGYBMZRN-SECBINFHSA-N 0 1 228.361 2.172 20 0 BEADMN CCC1CCN(Cc2nccn2C)CC1 ZINC000299580467 386467344 /nfs/dbraw/zinc/46/73/44/386467344.db2.gz IQWVEHRPWVHPFU-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N1C[C@@H](C)[C@@H]1C ZINC000339570595 386469757 /nfs/dbraw/zinc/46/97/57/386469757.db2.gz XGYAVGPGGHNLOH-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1c1ccccc1 ZINC000299595882 386469818 /nfs/dbraw/zinc/46/98/18/386469818.db2.gz FPZOBSICGQJEMA-CYBMUJFWSA-N 0 1 241.294 2.387 20 0 BEADMN Cc1ccc(F)c(CNC[C@@H]2CCC[N@H+]2C)c1 ZINC000227285540 386473315 /nfs/dbraw/zinc/47/33/15/386473315.db2.gz AWXFVTCYRDODSA-ZDUSSCGKSA-N 0 1 236.334 2.318 20 0 BEADMN Cc1cc(CNCc2cnn(C(C)C)c2)ccn1 ZINC000391193968 386474272 /nfs/dbraw/zinc/47/42/72/386474272.db2.gz QMJJBNZUZKRXHU-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CCC[C@H](C(=O)OCC)N1C[C@@H](C)[C@@H]1C ZINC000339560437 386474786 /nfs/dbraw/zinc/47/47/86/386474786.db2.gz AYAXLUAJNNJLMD-OUAUKWLOSA-N 0 1 213.321 2.058 20 0 BEADMN CCC[C@H](C(=O)OCC)N1C[C@@H](C)[C@H]1C ZINC000339560432 386475085 /nfs/dbraw/zinc/47/50/85/386475085.db2.gz AYAXLUAJNNJLMD-GMTAPVOTSA-N 0 1 213.321 2.058 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C ZINC000339565327 386477081 /nfs/dbraw/zinc/47/70/81/386477081.db2.gz UYFHOFAZTREERM-BJDJZHNGSA-N 0 1 226.364 2.020 20 0 BEADMN CCC[C@]1(CO)CCCN1Cc1cscn1 ZINC000277925090 386479690 /nfs/dbraw/zinc/47/96/90/386479690.db2.gz YHKFWNKSWNPHOS-GFCCVEGCSA-N 0 1 240.372 2.270 20 0 BEADMN CN(C)c1ncc(CN[C@@H]2CCC[C@H]2F)s1 ZINC000339588503 386480497 /nfs/dbraw/zinc/48/04/97/386480497.db2.gz ZTJHTPIURJPDNP-NXEZZACHSA-N 0 1 243.351 2.189 20 0 BEADMN Cc1noc(C)c1CCN1CCSC[C@@H]1C ZINC000335426904 386480550 /nfs/dbraw/zinc/48/05/50/386480550.db2.gz IMHXUYNITQTMDN-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN CCC1(NC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000519537630 386481466 /nfs/dbraw/zinc/48/14/66/386481466.db2.gz OEAWLTPDEAUHCG-UHFFFAOYSA-N 0 1 247.273 2.374 20 0 BEADMN C[C@@H]1CN(CCOCC(F)(F)C(F)F)[C@H]1C ZINC000339584507 386488748 /nfs/dbraw/zinc/48/87/48/386488748.db2.gz YRYHUIYPAMZIDE-SFYZADRCSA-N 0 1 243.244 2.244 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3cncs3)C2)c1 ZINC000291000920 386497841 /nfs/dbraw/zinc/49/78/41/386497841.db2.gz VYZPQJFJQPHALK-LLVKDONJSA-N 0 1 248.355 2.095 20 0 BEADMN CC(C)[C@@H](O)CN1CCOC[C@@H]1c1ccccc1 ZINC000336790622 386501317 /nfs/dbraw/zinc/50/13/17/386501317.db2.gz XNCYXWFDXYVBRY-CABCVRRESA-N 0 1 249.354 2.077 20 0 BEADMN CCc1ncc(CN2CCCO[C@@H](CC)C2)cn1 ZINC000414446713 386505813 /nfs/dbraw/zinc/50/58/13/386505813.db2.gz OZBDGMDOWPRUHI-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1ccc2nc(SC[C@@H](C)O)[nH]c2c1 ZINC000061440451 386512374 /nfs/dbraw/zinc/51/23/74/386512374.db2.gz WDHVWVLZGHFZGB-MRVPVSSYSA-N 0 1 222.313 2.344 20 0 BEADMN Cc1nccc(NC[C@H](C)C[C@@H](C)O)c1Cl ZINC000336779675 386513598 /nfs/dbraw/zinc/51/35/98/386513598.db2.gz PDHBYERZZPSZAF-RKDXNWHRSA-N 0 1 242.750 2.284 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339679757 386518621 /nfs/dbraw/zinc/51/86/21/386518621.db2.gz LJNXRJYBLMTPLH-ZDUSSCGKSA-N 0 1 246.354 2.330 20 0 BEADMN CCOc1nnc(CN[C@@H]2CCC[C@@H]2C)s1 ZINC000336778266 386457251 /nfs/dbraw/zinc/45/72/51/386457251.db2.gz KWGUVKSUKJGYEK-DTWKUNHWSA-N 0 1 241.360 2.215 20 0 BEADMN CCc1cccc(NC(=O)[C@@H]2CCCN2C)c1 ZINC000299487791 386459371 /nfs/dbraw/zinc/45/93/71/386459371.db2.gz IVFOWBIFAOGIBH-ZDUSSCGKSA-N 0 1 232.327 2.282 20 0 BEADMN Cc1cncc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291739860 386576254 /nfs/dbraw/zinc/57/62/54/386576254.db2.gz JYDGBNGVFCLATA-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN COCc1cc(CN[C@@H]2CCC[C@H](F)C2)no1 ZINC000648048616 386579815 /nfs/dbraw/zinc/57/98/15/386579815.db2.gz USUFMEVOYWKZEC-VHSXEESVSA-N 0 1 242.294 2.191 20 0 BEADMN Cc1nccc(N(CCO)CC2CC2)c1Cl ZINC000343245673 386590876 /nfs/dbraw/zinc/59/08/76/386590876.db2.gz GAGQWSUGTJVHOH-UHFFFAOYSA-N 0 1 240.734 2.252 20 0 BEADMN Cc1ccc(CNCc2ccsc2)c(=O)n1C ZINC000278846015 386593344 /nfs/dbraw/zinc/59/33/44/386593344.db2.gz WOZCASPLLBCZPO-UHFFFAOYSA-N 0 1 248.351 2.045 20 0 BEADMN CC[C@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291895352 386595292 /nfs/dbraw/zinc/59/52/92/386595292.db2.gz KDCLUDWWADUEAI-STQMWFEESA-N 0 1 234.343 2.235 20 0 BEADMN Cc1cc(CN2CC(C)(C(N)=O)C2)cc(C)c1O ZINC000335422380 386595492 /nfs/dbraw/zinc/59/54/92/386595492.db2.gz FLZMPPRZZGEUPK-UHFFFAOYSA-N 0 1 248.326 2.366 20 0 BEADMN Cc1nocc1CN1CCC(c2c[nH]cn2)CC1 ZINC000329013270 386596193 /nfs/dbraw/zinc/59/61/93/386596193.db2.gz PGBAKYZPYGBYSB-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CCc1ncc(CN2CC[C@H](OC)C[C@H]2C)cn1 ZINC000414451709 386535053 /nfs/dbraw/zinc/53/50/53/386535053.db2.gz ODKCLKMDJVVTLW-YPMHNXCESA-N 0 1 249.358 2.038 20 0 BEADMN CC(C)N(Cc1cncs1)[C@H]1CCOC1 ZINC000291361030 386537154 /nfs/dbraw/zinc/53/71/54/386537154.db2.gz YGGPDCHKVKTWMZ-JTQLQIEISA-N 0 1 226.345 2.142 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@H](C)C2)cc1 ZINC000228073990 386537551 /nfs/dbraw/zinc/53/75/51/386537551.db2.gz ZXGWKSFIRURUGI-GXTWGEPZSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@H](NCC=C(C)C)c1nccn1C ZINC000188444788 386540881 /nfs/dbraw/zinc/54/08/81/386540881.db2.gz BQUMHMHHUDFOSA-NSHDSACASA-N 0 1 207.321 2.427 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3OCC[C@@H]3C2)s1 ZINC000335423142 386596888 /nfs/dbraw/zinc/59/68/88/386596888.db2.gz LJABSKSTPPRNJC-MNOVXSKESA-N 0 1 238.356 2.062 20 0 BEADMN C[C@@H]1CC[C@H](O)CN1Cc1ccc(F)c(F)c1 ZINC000399402573 386542135 /nfs/dbraw/zinc/54/21/35/386542135.db2.gz HGXAOXFMLWMDRY-KOLCDFICSA-N 0 1 241.281 2.310 20 0 BEADMN CCC1(C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000267429284 386542790 /nfs/dbraw/zinc/54/27/90/386542790.db2.gz MPZSQVRWHVHXOS-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC[C@H]2C)cc1 ZINC000228085816 386542701 /nfs/dbraw/zinc/54/27/01/386542701.db2.gz YVNMYSDQHRBOPH-YPMHNXCESA-N 0 1 232.327 2.006 20 0 BEADMN c1ncn2c1CN(C[C@@H]1CC=CCC1)CC2 ZINC000291436663 386546014 /nfs/dbraw/zinc/54/60/14/386546014.db2.gz BPCIARGWEQETSZ-GFCCVEGCSA-N 0 1 217.316 2.055 20 0 BEADMN CC(C)c1nnc(CNC[C@H]2C[C@H]2C)s1 ZINC000336755943 386548872 /nfs/dbraw/zinc/54/88/72/386548872.db2.gz JCAXPUKDJSUJIF-RKDXNWHRSA-N 0 1 225.361 2.407 20 0 BEADMN Clc1cncc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000278568366 386549846 /nfs/dbraw/zinc/54/98/46/386549846.db2.gz BOAJISPVWFATOO-MRVPVSSYSA-N 0 1 249.705 2.343 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1ccc(C)cc1 ZINC000135845089 386550443 /nfs/dbraw/zinc/55/04/43/386550443.db2.gz DUTOTVVKVXGLFW-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C ZINC000336927696 386552879 /nfs/dbraw/zinc/55/28/79/386552879.db2.gz NAGLKTVEZWVDHI-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](NCCF)[C@H]1OCCc2sccc21 ZINC000336756219 386555701 /nfs/dbraw/zinc/55/57/01/386555701.db2.gz JFSFUHMOJVGDHD-GZMMTYOYSA-N 0 1 229.320 2.310 20 0 BEADMN CC[C@H](NCC=C(C)C)c1ccn(C)n1 ZINC000336756172 386555870 /nfs/dbraw/zinc/55/58/70/386555870.db2.gz IODXGQQPBQGBNX-NSHDSACASA-N 0 1 207.321 2.427 20 0 BEADMN C[C@@H](NCCF)[C@@H]1OCCc2sccc21 ZINC000336756220 386556265 /nfs/dbraw/zinc/55/62/65/386556265.db2.gz JFSFUHMOJVGDHD-KCJUWKMLSA-N 0 1 229.320 2.310 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]1Cc1cncc(F)c1 ZINC000335403551 386558321 /nfs/dbraw/zinc/55/83/21/386558321.db2.gz PTDZTBHZHGHHAL-LBPRGKRZSA-N 0 1 208.280 2.451 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cncc(F)c1 ZINC000335403551 386558325 /nfs/dbraw/zinc/55/83/25/386558325.db2.gz PTDZTBHZHGHHAL-LBPRGKRZSA-N 0 1 208.280 2.451 20 0 BEADMN COC[C@@H](N[C@H]1COC(C)(C)C1)c1ccco1 ZINC000417933416 386559452 /nfs/dbraw/zinc/55/94/52/386559452.db2.gz DUGIOOTWDSHZIH-GHMZBOCLSA-N 0 1 239.315 2.124 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000291616453 386560194 /nfs/dbraw/zinc/56/01/94/386560194.db2.gz RJDNBDLXNOFAIP-CYBMUJFWSA-N 0 1 245.330 2.168 20 0 BEADMN COC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccco1 ZINC000417933425 386560164 /nfs/dbraw/zinc/56/01/64/386560164.db2.gz DUGIOOTWDSHZIH-WDEREUQCSA-N 0 1 239.315 2.124 20 0 BEADMN CO[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000267619586 386562709 /nfs/dbraw/zinc/56/27/09/386562709.db2.gz DGMLKTKRSTVITB-GPAKFWEMSA-N 0 1 217.312 2.421 20 0 BEADMN CC(C)=CCN1CCO[C@@]2(CCSC2)C1 ZINC000335406523 386567158 /nfs/dbraw/zinc/56/71/58/386567158.db2.gz FBFGGRCLZQEBOQ-LBPRGKRZSA-N 0 1 227.373 2.161 20 0 BEADMN Cc1nc(CSCCC(F)(F)F)n[nH]1 ZINC000291681441 386568447 /nfs/dbraw/zinc/56/84/47/386568447.db2.gz RHFGVBHZPXDERW-UHFFFAOYSA-N 0 1 225.239 2.299 20 0 BEADMN CCC[C@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409837 386571440 /nfs/dbraw/zinc/57/14/40/386571440.db2.gz XCXGBYYAUJFIIV-NWDGAFQWSA-N 0 1 229.389 2.383 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)C2(C)CCC2)c1 ZINC000267671501 386571583 /nfs/dbraw/zinc/57/15/83/386571583.db2.gz VHMBVPIJBQSLDW-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN Cc1cnccc1CCN1C[C@@H](C)OC[C@H]1C ZINC000335409283 386572172 /nfs/dbraw/zinc/57/21/72/386572172.db2.gz SNHOJPUZMZGXDL-CHWSQXEVSA-N 0 1 234.343 2.042 20 0 BEADMN Cn1ncc(Br)c1CNC(C)(C)C ZINC000124140123 386597985 /nfs/dbraw/zinc/59/79/85/386597985.db2.gz LIKCDTIBJPCHNB-UHFFFAOYSA-N 0 1 246.152 2.071 20 0 BEADMN CC(C)[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCOC1 ZINC000291714216 386572671 /nfs/dbraw/zinc/57/26/71/386572671.db2.gz ISSKDFOKDVIGRS-LSDHHAIUSA-N 0 1 249.354 2.219 20 0 BEADMN CCOCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000366486784 386572959 /nfs/dbraw/zinc/57/29/59/386572959.db2.gz YENXOPXHSITWRM-LBPRGKRZSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1nc(CN(C)c2cc(C)cc(C)c2)n[nH]1 ZINC000292117847 386620344 /nfs/dbraw/zinc/62/03/44/386620344.db2.gz DZFOJVGLXBZZOQ-UHFFFAOYSA-N 0 1 230.315 2.366 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000268119566 386621923 /nfs/dbraw/zinc/62/19/23/386621923.db2.gz AIQVQGYGJGGHFO-SNVBAGLBSA-N 0 1 221.304 2.062 20 0 BEADMN CCN(C(=O)c1c(O)cccc1F)C(C)C ZINC000228839546 386622831 /nfs/dbraw/zinc/62/28/31/386622831.db2.gz ZSSWBQVSUMIUBZ-UHFFFAOYSA-N 0 1 225.263 2.402 20 0 BEADMN Cc1cc(CNCC2=CCCCC2)nn1C ZINC000414464603 386625632 /nfs/dbraw/zinc/62/56/32/386625632.db2.gz ZBQYKJHCFAQHKJ-UHFFFAOYSA-N 0 1 219.332 2.319 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@H]1CCCN1C1CC1 ZINC000425921925 386635316 /nfs/dbraw/zinc/63/53/16/386635316.db2.gz QKWZQKVVLXJMPK-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cnc(CNC[C@]2(C)CCCC[C@H]2O)o1 ZINC000638724821 386635431 /nfs/dbraw/zinc/63/54/31/386635431.db2.gz BWDSRKNYYRXZIE-YPMHNXCESA-N 0 1 238.331 2.014 20 0 BEADMN Cc1nnc(C[N@@H+](C)C[C@H](C)c2ccccc2)[nH]1 ZINC000268268828 386635920 /nfs/dbraw/zinc/63/59/20/386635920.db2.gz GWVXJKNVXSOTBZ-NSHDSACASA-N 0 1 244.342 2.349 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000335505532 386636907 /nfs/dbraw/zinc/63/69/07/386636907.db2.gz UPSLUTGDGHOLGM-MRVPVSSYSA-N 0 1 247.273 2.327 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000337189520 386642495 /nfs/dbraw/zinc/64/24/95/386642495.db2.gz VTLVJCFMUNKNEU-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](NCc1ccc2c[nH]nc2c1)c1cn[nH]c1 ZINC000339790303 386642567 /nfs/dbraw/zinc/64/25/67/386642567.db2.gz RCIKKKXQVFVAQN-VIFPVBQESA-N 0 1 241.298 2.137 20 0 BEADMN c1c[nH]c(CN2CC[C@H](C3CCCC3)C2)n1 ZINC000335510726 386645546 /nfs/dbraw/zinc/64/55/46/386645546.db2.gz PHVKGEMRQWTRPP-LBPRGKRZSA-N 0 1 219.332 2.422 20 0 BEADMN CC[C@H]1CCN1Cc1cncc(OC)c1 ZINC000292306856 386647051 /nfs/dbraw/zinc/64/70/51/386647051.db2.gz DORDXMLUVGCBSS-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN CCc1cc(C(=O)N(C)Cc2occc2C)n[nH]1 ZINC000292309308 386648020 /nfs/dbraw/zinc/64/80/20/386648020.db2.gz SHKPAHPNIKUPPX-UHFFFAOYSA-N 0 1 247.298 2.146 20 0 BEADMN CC(C)(C)CCCN1CCNC(=O)C1(C)C ZINC000337199291 386647959 /nfs/dbraw/zinc/64/79/59/386647959.db2.gz YRTUTTJDUUGINH-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccnc(NC[C@@H](O)Cc2ccccc2)c1 ZINC000268371314 386648619 /nfs/dbraw/zinc/64/86/19/386648619.db2.gz YUPMJDKZNZEKNK-AWEZNQCLSA-N 0 1 242.322 2.406 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CCCC3)C2)n1C ZINC000335512743 386648953 /nfs/dbraw/zinc/64/89/53/386648953.db2.gz UIFFJGNFHCPRRQ-CYBMUJFWSA-N 0 1 248.374 2.136 20 0 BEADMN CC(C)C[C@H](C)CN1CC[S@@](=O)[C@H](C)C1 ZINC000337199824 386649076 /nfs/dbraw/zinc/64/90/76/386649076.db2.gz ZEOSOUUVVWXZBK-YWPYICTPSA-N 0 1 231.405 2.121 20 0 BEADMN Cc1cc(N(C)C[C@H](C)O)c2cc(F)ccc2n1 ZINC000292339746 386652505 /nfs/dbraw/zinc/65/25/05/386652505.db2.gz NOPCNRHTZZCPOP-JTQLQIEISA-N 0 1 248.301 2.499 20 0 BEADMN COC[C@H](N[C@H](C)c1ccco1)[C@H]1CCCO1 ZINC000278892060 386604266 /nfs/dbraw/zinc/60/42/66/386604266.db2.gz UCJOFDRPAMJIFV-NTZNESFSSA-N 0 1 239.315 2.124 20 0 BEADMN CO[C@]1(C)CCCN(Cc2nc(C)cs2)C1 ZINC000279246160 386654904 /nfs/dbraw/zinc/65/49/04/386654904.db2.gz GPOCBEJNUYKWLF-GFCCVEGCSA-N 0 1 240.372 2.452 20 0 BEADMN CC(C)(C(=O)NCCN1CCC1)C1CCCC1 ZINC000339767901 386606078 /nfs/dbraw/zinc/60/60/78/386606078.db2.gz UHANEAZMHKJZRZ-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCCC[C@H]1C1CC1 ZINC000414923997 386613875 /nfs/dbraw/zinc/61/38/75/386613875.db2.gz FYPLNXIEQBIOIR-WDEREUQCSA-N 0 1 232.318 2.139 20 0 BEADMN CCSCCSCc1n[nH]c(C)n1 ZINC000291576280 386615100 /nfs/dbraw/zinc/61/51/00/386615100.db2.gz FMPGZNRVFOMQRY-UHFFFAOYSA-N 0 1 217.363 2.099 20 0 BEADMN COC[C@H](N[C@H]1CCO[C@H]1C)c1ccc(C)o1 ZINC000245978464 386616781 /nfs/dbraw/zinc/61/67/81/386616781.db2.gz XSFIAIQHIPWQLK-SRVKXCTJSA-N 0 1 239.315 2.043 20 0 BEADMN CCc1ncc(C[N@H+]2CCCC[C@@H]2COC)cn1 ZINC000414463904 386616741 /nfs/dbraw/zinc/61/67/41/386616741.db2.gz SLBNKYLXDWBDAM-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1ncc(CN2CCCC[C@@H]2COC)cn1 ZINC000414463904 386616749 /nfs/dbraw/zinc/61/67/49/386616749.db2.gz SLBNKYLXDWBDAM-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN CO[C@@H](CN1CCCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000644926565 386618174 /nfs/dbraw/zinc/61/81/74/386618174.db2.gz VKRWMHFFUXQJLS-STQMWFEESA-N 0 1 249.358 2.362 20 0 BEADMN CC[C@@H](C)C[C@H](CC)NCC(F)(F)CN ZINC000414926415 386659211 /nfs/dbraw/zinc/65/92/11/386659211.db2.gz JINZYUXZIUMVHP-ZJUUUORDSA-N 0 1 222.323 2.385 20 0 BEADMN CCC1(CC)CCN([C@@H](C)C(=O)OC)CC1 ZINC000062954718 386660211 /nfs/dbraw/zinc/66/02/11/386660211.db2.gz QAQXPWPXSQQOEK-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CO[C@@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425328922 386660765 /nfs/dbraw/zinc/66/07/65/386660765.db2.gz SQYFIRVBMNIZQV-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN COC(=O)CN(C[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000357004082 386682104 /nfs/dbraw/zinc/68/21/04/386682104.db2.gz OYKMBCUFAYHGFB-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)(C)c1nc(CSc2ncco2)n[nH]1 ZINC000292387398 386662052 /nfs/dbraw/zinc/66/20/52/386662052.db2.gz HWIQFIROHHLLSW-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](CC(=O)[O-])C(C)C ZINC000097850403 386663806 /nfs/dbraw/zinc/66/38/06/386663806.db2.gz RDSSSARVDBPSNI-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCC(C)(C)C ZINC000337224280 386664062 /nfs/dbraw/zinc/66/40/62/386664062.db2.gz DPDMJAJRSYDALI-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cnc(CN2CCCO[C@@H](C(C)C)C2)cn1 ZINC000339823539 386666677 /nfs/dbraw/zinc/66/66/77/386666677.db2.gz RKEMBSOMPFIMOL-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1ccnc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000335524836 386668221 /nfs/dbraw/zinc/66/82/21/386668221.db2.gz BWQSILZTCDQCBC-GHMZBOCLSA-N 0 1 205.305 2.158 20 0 BEADMN Cc1cnc(CN2[C@@H](C)CC[C@@H]2C)nc1 ZINC000335524882 386669080 /nfs/dbraw/zinc/66/90/80/386669080.db2.gz JULSWZAXIHONGG-QWRGUYRKSA-N 0 1 205.305 2.158 20 0 BEADMN Cc1ccnc(CN2[C@H](C)CC[C@@H]2C)n1 ZINC000335524837 386669223 /nfs/dbraw/zinc/66/92/23/386669223.db2.gz BWQSILZTCDQCBC-PHIMTYICSA-N 0 1 205.305 2.158 20 0 BEADMN CC[C@H]1CCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000292450606 386674636 /nfs/dbraw/zinc/67/46/36/386674636.db2.gz PJLQXTAYVYKEMS-AWEZNQCLSA-N 0 1 246.354 2.373 20 0 BEADMN C[C@@](N)(C(=O)N[C@@H]1C=CCCC1)c1ccccc1 ZINC000335530659 386681693 /nfs/dbraw/zinc/68/16/93/386681693.db2.gz JTKWSZSRWPWBCA-HIFRSBDPSA-N 0 1 244.338 2.085 20 0 BEADMN FC(F)O[C@H]1CCCC[C@@H]1NCc1ncc[nH]1 ZINC000337236071 386681905 /nfs/dbraw/zinc/68/19/05/386681905.db2.gz BBSLOPKRBOUFEX-IUCAKERBSA-N 0 1 245.273 2.050 20 0 BEADMN CCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000279273850 386656736 /nfs/dbraw/zinc/65/67/36/386656736.db2.gz WPIGRLUOPKSEFF-UHFFFAOYSA-N 0 1 246.314 2.368 20 0 BEADMN CC(C)(CO)[C@H](NCCF)c1cccs1 ZINC000336759378 386657878 /nfs/dbraw/zinc/65/78/78/386657878.db2.gz LHLDDGPLCNTDPQ-SNVBAGLBSA-N 0 1 231.336 2.367 20 0 BEADMN CSC[C@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000292691969 386709309 /nfs/dbraw/zinc/70/93/09/386709309.db2.gz BOWDNMOMTZHKJP-NSHDSACASA-N 0 1 239.388 2.293 20 0 BEADMN Cc1cnc([C@H](C)N(C)CC2(O)CCCC2)o1 ZINC000357000221 386685111 /nfs/dbraw/zinc/68/51/11/386685111.db2.gz CWWMICQIZORSFW-NSHDSACASA-N 0 1 238.331 2.281 20 0 BEADMN COC(=O)CN(C[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000357004073 386686043 /nfs/dbraw/zinc/68/60/43/386686043.db2.gz OYKMBCUFAYHGFB-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C ZINC000268723051 386686726 /nfs/dbraw/zinc/68/67/26/386686726.db2.gz ILKURQBOQDFFJA-AWEZNQCLSA-N 0 1 246.354 2.454 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(Cl)nc1)N(C)C ZINC000268752332 386691510 /nfs/dbraw/zinc/69/15/10/386691510.db2.gz VRNZYECWWADIRP-VIFPVBQESA-N 0 1 241.722 2.014 20 0 BEADMN Clc1ccccc1COCCc1c[nH]nn1 ZINC000357022867 386691885 /nfs/dbraw/zinc/69/18/85/386691885.db2.gz VEJYCBDTMQSQQN-UHFFFAOYSA-N 0 1 237.690 2.217 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2cnc[nH]2)CC12CCC2 ZINC000292585846 386693035 /nfs/dbraw/zinc/69/30/35/386693035.db2.gz YWHAFZLGQYZGHD-NSHDSACASA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H](C1CCC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000357032531 386697084 /nfs/dbraw/zinc/69/70/84/386697084.db2.gz GSDWMKDGKSGIPA-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H](C1CCC1)N(C)Cc1nnc2n1CCCC2 ZINC000357028304 386698053 /nfs/dbraw/zinc/69/80/53/386698053.db2.gz UJEQCSVNAXOKMR-NSHDSACASA-N 0 1 248.374 2.235 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000520594207 386698606 /nfs/dbraw/zinc/69/86/06/386698606.db2.gz GYPZVCKNHDLHLZ-GFCCVEGCSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ncn(C)n1 ZINC000391942626 386699578 /nfs/dbraw/zinc/69/95/78/386699578.db2.gz SHQGICKKWZWZAR-RHYQMDGZSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1nc(CN2C[C@@H](C)C[C@H](C)C2)co1 ZINC000647956827 386699679 /nfs/dbraw/zinc/69/96/79/386699679.db2.gz JGIRLDJYDAWKOV-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000520606849 386703575 /nfs/dbraw/zinc/70/35/75/386703575.db2.gz WDSNXNSKTIXXMF-NQBHXWOUSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cn[nH]c1CNc1ccnn1CC(C)C ZINC000352844389 386707119 /nfs/dbraw/zinc/70/71/19/386707119.db2.gz YDQYNJYOMIBVGG-UHFFFAOYSA-N 0 1 233.319 2.183 20 0 BEADMN C[C@H](NCC1OCCO1)c1ccccc1Cl ZINC000122137584 386737928 /nfs/dbraw/zinc/73/79/28/386737928.db2.gz VGJJEQFGCJGXQG-VIFPVBQESA-N 0 1 241.718 2.364 20 0 BEADMN CC[C@H]1CCCN1Cc1nnc(C)n1C1CC1 ZINC000340690237 386712993 /nfs/dbraw/zinc/71/29/93/386712993.db2.gz KGUMAFCKDXTWKD-NSHDSACASA-N 0 1 234.347 2.296 20 0 BEADMN c1snnc1CNC[C@H]1CCC[C@H]1C1CC1 ZINC000414489901 386714008 /nfs/dbraw/zinc/71/40/08/386714008.db2.gz WHFSAZBAZXZNFR-PWSUYJOCSA-N 0 1 237.372 2.454 20 0 BEADMN CC(C)[C@@H]1N(Cc2cncnc2)CC12CCC2 ZINC000292736213 386717605 /nfs/dbraw/zinc/71/76/05/386717605.db2.gz GVUHNCYFRLYNRS-ZDUSSCGKSA-N 0 1 231.343 2.487 20 0 BEADMN CCCCN(C)c1nc(N)nc2c1CCCC2 ZINC000645094378 386718842 /nfs/dbraw/zinc/71/88/42/386718842.db2.gz WUMRIUFEUGKHSQ-UHFFFAOYSA-N 0 1 234.347 2.004 20 0 BEADMN CCC[C@H](C)C(=O)NCCNc1cc(C)ccn1 ZINC000292751259 386720812 /nfs/dbraw/zinc/72/08/12/386720812.db2.gz NRDVXVHEYXXWOB-LBPRGKRZSA-N 0 1 249.358 2.354 20 0 BEADMN CCC[C@H](NCc1nnc(C)o1)C1CCC1 ZINC000325054740 386722536 /nfs/dbraw/zinc/72/25/36/386722536.db2.gz UXWPGJZFFDBHFM-NSHDSACASA-N 0 1 223.320 2.436 20 0 BEADMN CC(C)OC1CC(NCc2ncccc2F)C1 ZINC000526991460 386722554 /nfs/dbraw/zinc/72/25/54/386722554.db2.gz ARLSEFZZBBDBPU-UHFFFAOYSA-N 0 1 238.306 2.266 20 0 BEADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cocn1 ZINC000191942311 386723011 /nfs/dbraw/zinc/72/30/11/386723011.db2.gz LZEDGYAVNBWPTQ-NSHDSACASA-N 0 1 246.310 2.443 20 0 BEADMN CCCC(CCC)NCC(F)(F)CN ZINC000414928809 386723591 /nfs/dbraw/zinc/72/35/91/386723591.db2.gz NECWGQGCUQXCAF-UHFFFAOYSA-N 0 1 208.296 2.139 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)NCc2cnc[nH]2)CC1 ZINC000335545632 386729302 /nfs/dbraw/zinc/72/93/02/386729302.db2.gz NSECAQDFMYDUNA-NSHDSACASA-N 0 1 233.315 2.162 20 0 BEADMN Cn1ccc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000334152454 386752702 /nfs/dbraw/zinc/75/27/02/386752702.db2.gz WFZLOZBTCUNSFS-WCQYABFASA-N 0 1 219.332 2.185 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000269126980 386753733 /nfs/dbraw/zinc/75/37/33/386753733.db2.gz HHNQMDWPWBGJQY-CYBMUJFWSA-N 0 1 248.326 2.205 20 0 BEADMN COC(=O)c1occc1CN1CC[C@H](C)[C@@H]1C ZINC000248371719 386755078 /nfs/dbraw/zinc/75/50/78/386755078.db2.gz YYQALRHNTGPGFZ-UWVGGRQHSA-N 0 1 237.299 2.297 20 0 BEADMN CSCCCCNCc1ncnn1C(C)C ZINC000229243365 386755416 /nfs/dbraw/zinc/75/54/16/386755416.db2.gz GBQCUFJTEKTOCJ-UHFFFAOYSA-N 0 1 242.392 2.092 20 0 BEADMN Oc1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC000648067291 386758123 /nfs/dbraw/zinc/75/81/23/386758123.db2.gz YZOCLWXQCQSHBC-HNNXBMFYSA-N 0 1 247.338 2.393 20 0 BEADMN CS[C@@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000192315294 386761587 /nfs/dbraw/zinc/76/15/87/386761587.db2.gz DHPIRJCFGGDDBS-MWLCHTKSSA-N 0 1 226.345 2.438 20 0 BEADMN CO[C@@H](C)CNCc1ncc(C(C)C)s1 ZINC000191139580 386762618 /nfs/dbraw/zinc/76/26/18/386762618.db2.gz YWCJPDRSCGQWPW-VIFPVBQESA-N 0 1 228.361 2.391 20 0 BEADMN CC(C)[C@@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000293004002 386763265 /nfs/dbraw/zinc/76/32/65/386763265.db2.gz TTYKKPFHILZLAD-LBPRGKRZSA-N 0 1 248.326 2.277 20 0 BEADMN Cc1cc(CN2CCCO[C@@H](C(C)C)C2)ncn1 ZINC000293008256 386764775 /nfs/dbraw/zinc/76/47/75/386764775.db2.gz DINCFMPLFIPOAA-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN CCOCCC1(CNCc2cocn2)CCC1 ZINC000192326630 386765701 /nfs/dbraw/zinc/76/57/01/386765701.db2.gz YVOGNWYXPWGSMH-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN C[C@@H](CSCc1nn[nH]n1)c1ccccc1 ZINC000279994729 386765945 /nfs/dbraw/zinc/76/59/45/386765945.db2.gz RLYNVDHBLCOXDL-VIFPVBQESA-N 0 1 234.328 2.237 20 0 BEADMN CSc1cc(CNCc2cccnc2)ccn1 ZINC000357356993 386766550 /nfs/dbraw/zinc/76/65/50/386766550.db2.gz QYNLGIREHNVNSH-UHFFFAOYSA-N 0 1 245.351 2.488 20 0 BEADMN CC[C@H](NC1(C(F)F)CC1)[C@H]1CCOC1 ZINC000336760603 386741400 /nfs/dbraw/zinc/74/14/00/386741400.db2.gz LWTWKZLWUPXVBI-IUCAKERBSA-N 0 1 219.275 2.189 20 0 BEADMN NCC(F)(F)CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000414929878 386742507 /nfs/dbraw/zinc/74/25/07/386742507.db2.gz OHSJSGWKDKXUOI-QWRGUYRKSA-N 0 1 232.318 2.139 20 0 BEADMN CO[C@H](C)CN1CCc2c(F)cccc2C1 ZINC000334143580 386743845 /nfs/dbraw/zinc/74/38/45/386743845.db2.gz SZIKIKXVKJEMDM-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN Cn1cc(-c2ccc(CNCCF)s2)cn1 ZINC000283018167 386794025 /nfs/dbraw/zinc/79/40/25/386794025.db2.gz MAPNXNDEPKWAFQ-UHFFFAOYSA-N 0 1 239.319 2.208 20 0 BEADMN C[C@H]1C[C@@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414508120 386795605 /nfs/dbraw/zinc/79/56/05/386795605.db2.gz QELYUFXVHRAMHO-JGVFFNPUSA-N 0 1 245.248 2.241 20 0 BEADMN CCC[C@@](C)(O)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000269318169 386778983 /nfs/dbraw/zinc/77/89/83/386778983.db2.gz QQBORMYJDQLDMM-CYBMUJFWSA-N 0 1 247.298 2.053 20 0 BEADMN Cc1ccc2nc(CNc3ncccn3)[nH]c2c1 ZINC000340046726 386780943 /nfs/dbraw/zinc/78/09/43/386780943.db2.gz VOKUYGKKNJWJSO-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000330611410 386787345 /nfs/dbraw/zinc/78/73/45/386787345.db2.gz OUWPFVVQWAPBQK-MNOVXSKESA-N 0 1 239.363 2.103 20 0 BEADMN CC[C@@H](COC)NCc1cn2cc(C)ccc2n1 ZINC000341009120 386816233 /nfs/dbraw/zinc/81/62/33/386816233.db2.gz LLEXFSQLOKFQRN-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H](C)C[C@@H]1C ZINC000353748429 386817289 /nfs/dbraw/zinc/81/72/89/386817289.db2.gz SBDJSDXSBLVKTR-UWVGGRQHSA-N 0 1 237.299 2.297 20 0 BEADMN COc1ncncc1CN1CCC[C@@H](C)[C@H]1C ZINC000648005249 386820801 /nfs/dbraw/zinc/82/08/01/386820801.db2.gz YKMFEMGRXIDVAL-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccc(F)cc1F ZINC000280566135 386821868 /nfs/dbraw/zinc/82/18/68/386821868.db2.gz VQQWEIHLAZYOOA-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN C[C@H]([C@H](C)N(C)CCC(C)(C)C)S(C)(=O)=O ZINC000113256915 386799245 /nfs/dbraw/zinc/79/92/45/386799245.db2.gz XBACTTRBGPAFIO-WDEREUQCSA-N 0 1 249.420 2.176 20 0 BEADMN CCCCC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000340938406 386801647 /nfs/dbraw/zinc/80/16/47/386801647.db2.gz ZLLNBSYTYPDLCX-JTQLQIEISA-N 0 1 238.335 2.055 20 0 BEADMN C[C@H](NC[C@H](O)C1CCCCC1)c1ncc[nH]1 ZINC000330597641 386806395 /nfs/dbraw/zinc/80/63/95/386806395.db2.gz AMKFTPMKXKZZEE-JQWIXIFHSA-N 0 1 237.347 2.002 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2C[C@@H](C)[C@@H]2C)o1 ZINC000293344272 386806900 /nfs/dbraw/zinc/80/69/00/386806900.db2.gz HILWJMXIEQPAHZ-UTLUCORTSA-N 0 1 237.299 2.467 20 0 BEADMN Cn1ccc(CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC000280392644 386811041 /nfs/dbraw/zinc/81/10/41/386811041.db2.gz GHJDESXDCWTZPG-ZDUSSCGKSA-N 0 1 236.359 2.272 20 0 BEADMN COCCCN(C)Cc1ccnn1CC(C)C ZINC000648003971 386813269 /nfs/dbraw/zinc/81/32/69/386813269.db2.gz JVFMJIGBNZFCRC-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN COc1ncncc1CN1CCC[C@@H](C)CC1 ZINC000648004454 386815436 /nfs/dbraw/zinc/81/54/36/386815436.db2.gz IZXCBIDTOFIYDK-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H](N)c1ccccc1C ZINC000645168245 386829718 /nfs/dbraw/zinc/82/97/18/386829718.db2.gz JENIFUABTHSLNN-DGCLKSJQSA-N 0 1 234.343 2.300 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(F)cc1C ZINC000293533307 386832920 /nfs/dbraw/zinc/83/29/20/386832920.db2.gz JMHPVKBBKOJIGC-CYBMUJFWSA-N 0 1 223.291 2.355 20 0 BEADMN C[C@H](CCCCO)NCc1ncc(Cl)s1 ZINC000398501246 386833054 /nfs/dbraw/zinc/83/30/54/386833054.db2.gz YJQDXFDLMPQCCS-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(F)c(C)c1 ZINC000293531233 386833733 /nfs/dbraw/zinc/83/37/33/386833733.db2.gz BXKJJHBHFWDYTD-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN COC(=O)c1ccccc1CN1C[C@H](C)[C@H]1C ZINC000293535581 386833912 /nfs/dbraw/zinc/83/39/12/386833912.db2.gz XKZMEUHOTGLNFH-WDEREUQCSA-N 0 1 233.311 2.313 20 0 BEADMN FCCNCc1c[nH]nc1-c1ccccc1F ZINC000280667751 386834027 /nfs/dbraw/zinc/83/40/27/386834027.db2.gz LTCCYIQTQVLAFG-UHFFFAOYSA-N 0 1 237.253 2.275 20 0 BEADMN CC[C@H](Nc1ccnc(C)c1Cl)[C@@H](C)O ZINC000395445165 386835049 /nfs/dbraw/zinc/83/50/49/386835049.db2.gz WUCDXLJXNZBQGJ-BDAKNGLRSA-N 0 1 228.723 2.037 20 0 BEADMN CCC[C@H](C)CCCN1CC(=O)N(C)C[C@@H]1C ZINC001645338572 1172656763 /nfs/dbraw/zinc/65/67/63/1172656763.db2.gz RNNGUSIMWKSAEI-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](Nc1ccnc(C)c1Cl)[C@@H](C)O ZINC000395445168 386838232 /nfs/dbraw/zinc/83/82/32/386838232.db2.gz WUCDXLJXNZBQGJ-RKDXNWHRSA-N 0 1 228.723 2.037 20 0 BEADMN CCc1ccc(CN2CC[C@H]2COC)o1 ZINC000293577937 386843047 /nfs/dbraw/zinc/84/30/47/386843047.db2.gz HNVAPOOLLUSLML-JTQLQIEISA-N 0 1 209.289 2.063 20 0 BEADMN Cc1cc(C(=O)N(C2CCC2)C2CCC2)n[nH]1 ZINC000293584130 386844115 /nfs/dbraw/zinc/84/41/15/386844115.db2.gz ALZAYDMPIJEVOX-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN CC1=CCN(CCn2cc(Cl)cn2)CC1 ZINC000334785320 386844430 /nfs/dbraw/zinc/84/44/30/386844430.db2.gz DWFAHJXIGGZIHO-UHFFFAOYSA-N 0 1 225.723 2.189 20 0 BEADMN Cc1nccc(NC[C@@](C)(O)C2CC2)c1Cl ZINC000336674478 386849920 /nfs/dbraw/zinc/84/99/20/386849920.db2.gz PCCNIRSQHTWUGT-GFCCVEGCSA-N 0 1 240.734 2.038 20 0 BEADMN CCCCNC(=O)CCN(C)Cc1ccoc1 ZINC000341176455 386852070 /nfs/dbraw/zinc/85/20/70/386852070.db2.gz NOQFYFAOTZFVAJ-UHFFFAOYSA-N 0 1 238.331 2.018 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC1CCCC1 ZINC000357858284 386855400 /nfs/dbraw/zinc/85/54/00/386855400.db2.gz GMYUQODMUGWJCI-BFQNTYOBSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CCC1CCCC1 ZINC000357858284 386855403 /nfs/dbraw/zinc/85/54/03/386855403.db2.gz GMYUQODMUGWJCI-BFQNTYOBSA-N 0 1 243.416 2.408 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN1CC(O)(C(F)F)C1 ZINC000425344145 386856832 /nfs/dbraw/zinc/85/68/32/386856832.db2.gz BNCOVEKZZRUBLV-GHMZBOCLSA-N 0 1 245.313 2.291 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H](C)CC1 ZINC000335741492 386859115 /nfs/dbraw/zinc/85/91/15/386859115.db2.gz OUULKMCAEXPVTN-JTQLQIEISA-N 0 1 207.321 2.340 20 0 BEADMN c1n[nH]nc1SCCCCC1CCOCC1 ZINC000330714276 386862932 /nfs/dbraw/zinc/86/29/32/386862932.db2.gz ZWAVWUSUZVWBLQ-UHFFFAOYSA-N 0 1 241.360 2.494 20 0 BEADMN Cc1ccc(CN2CC[C@H]2C(C)C)nn1 ZINC000334827070 386863279 /nfs/dbraw/zinc/86/32/79/386863279.db2.gz RUJONDUXUMYRHX-LBPRGKRZSA-N 0 1 205.305 2.015 20 0 BEADMN CCc1oc(CN[C@@H]2CC23CC3)cc1C(=O)OC ZINC000425350988 386871199 /nfs/dbraw/zinc/87/11/99/386871199.db2.gz ICIQMEIZGAKELM-GFCCVEGCSA-N 0 1 249.310 2.271 20 0 BEADMN C[C@H]1CCC[C@H]1Cc1nc(C2(N)CCC2)no1 ZINC000334836620 386879049 /nfs/dbraw/zinc/87/90/49/386879049.db2.gz GZLLJBYIYOBIPM-UWVGGRQHSA-N 0 1 235.331 2.386 20 0 BEADMN Cc1ccc(CN2CCS[C@@H](C)[C@H]2C)nn1 ZINC000334841116 386885882 /nfs/dbraw/zinc/88/58/82/386885882.db2.gz MTGKIFOTNSYSMP-MNOVXSKESA-N 0 1 237.372 2.111 20 0 BEADMN C[C@H]1[C@@H](c2nc(C3(N)CCCC3)no2)C1(F)F ZINC000334842311 386887863 /nfs/dbraw/zinc/88/78/63/386887863.db2.gz LCOJEDAOTSGHFB-BQBZGAKWSA-N 0 1 243.257 2.166 20 0 BEADMN CC[C@H]1CCCCCN1Cc1nnc(C)[nH]1 ZINC000335768901 386913902 /nfs/dbraw/zinc/91/39/02/386913902.db2.gz MGNWJIHUVLYUIX-NSHDSACASA-N 0 1 222.336 2.268 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OCC(C)C)[C@@H]1C ZINC001645351276 1172657076 /nfs/dbraw/zinc/65/70/76/1172657076.db2.gz GTWAJKPCRMTQQD-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1C[C@H]1C ZINC000331854582 386917460 /nfs/dbraw/zinc/91/74/60/386917460.db2.gz HWURBYWTGBMYAL-SCZZXKLOSA-N 0 1 235.331 2.227 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000334863726 386918855 /nfs/dbraw/zinc/91/88/55/386918855.db2.gz RZOMXDPYUCGBGW-NSHDSACASA-N 0 1 207.321 2.278 20 0 BEADMN Cn1ccc(CNCc2cc(O)cc(F)c2)c1 ZINC000349646400 386896765 /nfs/dbraw/zinc/89/67/65/386896765.db2.gz PRXGMLPRSXRZSL-UHFFFAOYSA-N 0 1 234.274 2.160 20 0 BEADMN CN(Cc1ccon1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000330826310 386899791 /nfs/dbraw/zinc/89/97/91/386899791.db2.gz RLRNKNZXBFHQMF-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN C[C@H]1CC[C@@H](c2nc(C3(N)CCC3)no2)C1 ZINC000334851975 386902243 /nfs/dbraw/zinc/90/22/43/386902243.db2.gz DOVBXVSROWKGCO-DTWKUNHWSA-N 0 1 221.304 2.311 20 0 BEADMN c1coc(CN2CCC(c3ccncn3)CC2)c1 ZINC000334854270 386903940 /nfs/dbraw/zinc/90/39/40/386903940.db2.gz RMAFLSPJDXGRPW-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000358174723 386907540 /nfs/dbraw/zinc/90/75/40/386907540.db2.gz YWCBOARJHPDARY-GHMZBOCLSA-N 0 1 249.358 2.065 20 0 BEADMN CC(C)[C@@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334855461 386907761 /nfs/dbraw/zinc/90/77/61/386907761.db2.gz XVILHBXRHPKZIR-DTWKUNHWSA-N 0 1 221.304 2.167 20 0 BEADMN Cc1ccn(C)c1-c1nc(C2(N)CCCC2)no1 ZINC000334856640 386908570 /nfs/dbraw/zinc/90/85/70/386908570.db2.gz RFSIQBLMFQCSQV-UHFFFAOYSA-N 0 1 246.314 2.112 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1cnc2cnccn12 ZINC000335767103 386910111 /nfs/dbraw/zinc/91/01/11/386910111.db2.gz YTCQMHKUKGOUHK-GFCCVEGCSA-N 0 1 244.342 2.494 20 0 BEADMN FC[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000334859932 386913306 /nfs/dbraw/zinc/91/33/06/386913306.db2.gz PRWHORUUYFKCLQ-RYUDHWBXSA-N 0 1 213.296 2.013 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358267987 386923727 /nfs/dbraw/zinc/92/37/27/386923727.db2.gz RCJLJOBODUPETQ-LPEHRKFASA-N 0 1 240.351 2.002 20 0 BEADMN NC1(c2noc(-c3sccc3F)n2)CCC1 ZINC000334866500 386924094 /nfs/dbraw/zinc/92/40/94/386924094.db2.gz RBLAVRGTFMHUGL-UHFFFAOYSA-N 0 1 239.275 2.275 20 0 BEADMN COC(=O)[C@H]1CCCCCN1CCCSC ZINC000367985521 386926632 /nfs/dbraw/zinc/92/66/32/386926632.db2.gz VPRUOKOQDHTUFO-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C)nn1 ZINC000334869351 386927999 /nfs/dbraw/zinc/92/79/99/386927999.db2.gz VWOSODUHZPSCNF-GXFFZTMASA-N 0 1 219.332 2.405 20 0 BEADMN CC1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000334869918 386931414 /nfs/dbraw/zinc/93/14/14/386931414.db2.gz AJHTWLWRRBVULX-UHFFFAOYSA-N 0 1 247.323 2.230 20 0 BEADMN C[C@@H](O)CN(C)c1ccnc2cc(F)ccc21 ZINC000302709039 386932452 /nfs/dbraw/zinc/93/24/52/386932452.db2.gz ZBCVLKJSEYCIMW-SECBINFHSA-N 0 1 234.274 2.191 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cncnc2OC)C1 ZINC000648011258 386936246 /nfs/dbraw/zinc/93/62/46/386936246.db2.gz LCICCYBQWGUANC-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN Cc1cn[nH]c1CN[C@H]1COc2ccc(C)cc21 ZINC000368073068 386937130 /nfs/dbraw/zinc/93/71/30/386937130.db2.gz QQVDHJUWGIVMGU-ZDUSSCGKSA-N 0 1 243.310 2.250 20 0 BEADMN CN(C)C1CN(C(=O)C2(C)CCCCCC2)C1 ZINC000358354097 386938759 /nfs/dbraw/zinc/93/87/59/386938759.db2.gz NSJMLKFMGZFILC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1nc2ccccc2o1 ZINC000352895736 386939653 /nfs/dbraw/zinc/93/96/53/386939653.db2.gz WHVJEUWXMFTHAQ-CQSZACIVSA-N 0 1 248.326 2.324 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)CC2CCCC2)CCN1C ZINC000334877764 386939626 /nfs/dbraw/zinc/93/96/26/386939626.db2.gz FICOZXYLUPADAS-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cccc(CN2CC[C@](F)(CO)C2)c1C ZINC000334817107 386945084 /nfs/dbraw/zinc/94/50/84/386945084.db2.gz CLYBHFLXDSJRHQ-CQSZACIVSA-N 0 1 237.318 2.210 20 0 BEADMN CC[C@H](NC[C@@H](OC)C(C)C)c1nccn1C ZINC000341712387 386955391 /nfs/dbraw/zinc/95/53/91/386955391.db2.gz WZJZGTZBTAHWJP-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@@H]1C1CC1 ZINC000334887983 386960419 /nfs/dbraw/zinc/96/04/19/386960419.db2.gz MOHDLNSJMXUFDK-SNVBAGLBSA-N 0 1 235.258 2.156 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC23CCC3)n1 ZINC000334890749 386964072 /nfs/dbraw/zinc/96/40/72/386964072.db2.gz XHARBXDMHVHRLE-LLVKDONJSA-N 0 1 239.750 2.496 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000518990960 386976257 /nfs/dbraw/zinc/97/62/57/386976257.db2.gz YJIAYLBLXCAVTM-JOYOIKCWSA-N 0 1 237.274 2.436 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCC(C)(C)C ZINC000341883121 386984541 /nfs/dbraw/zinc/98/45/41/386984541.db2.gz ACKAUMBTQUSOAO-HFAKWTLXSA-N 0 1 231.405 2.264 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CCN1CCCCCF ZINC000341903735 386987116 /nfs/dbraw/zinc/98/71/16/386987116.db2.gz HLEPZOKLHHUPFA-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN Cc1cnc(C(=O)Nc2ccsc2)c(O)c1 ZINC000358617200 386989636 /nfs/dbraw/zinc/98/96/36/386989636.db2.gz PQBHJCQAIAXUHR-UHFFFAOYSA-N 0 1 234.280 2.409 20 0 BEADMN C[C@H]1CCN(CC2CC(C)(C)C2)CC[S@@]1=O ZINC000528473491 386994168 /nfs/dbraw/zinc/99/41/68/386994168.db2.gz GVLZCVTUJYUXIC-ZBEGNZNMSA-N 0 1 243.416 2.266 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](F)C2)[nH]1 ZINC000334919123 386996047 /nfs/dbraw/zinc/99/60/47/386996047.db2.gz SHAYYADDJDVCBG-SECBINFHSA-N 0 1 247.273 2.055 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358712624 387001449 /nfs/dbraw/zinc/00/14/49/387001449.db2.gz IVRMYBOYCSMQIB-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN Cc1occc1CN[C@@H](C)c1cnn(C)c1C ZINC000320860614 386951942 /nfs/dbraw/zinc/95/19/42/386951942.db2.gz DYNMXLUHCPCBOT-VIFPVBQESA-N 0 1 233.315 2.481 20 0 BEADMN CO[C@H]1C[C@H]2C[C@@H](NCC(F)F)C[C@H]2C1 ZINC000425378526 387031830 /nfs/dbraw/zinc/03/18/30/387031830.db2.gz KAEUYIFRRAEMED-YNFQOJQRSA-N 0 1 219.275 2.045 20 0 BEADMN CC[C@H]1CCN1Cc1cncn1C(C)C ZINC000425384373 387036446 /nfs/dbraw/zinc/03/64/46/387036446.db2.gz QJGWIWHUJJRQET-NSHDSACASA-N 0 1 207.321 2.448 20 0 BEADMN CCCCCCN1CC[S@@](=O)C[C@H](C)C1 ZINC000369337389 387038691 /nfs/dbraw/zinc/03/86/91/387038691.db2.gz CAGDQSKSWVVTEU-IUODEOHRSA-N 0 1 231.405 2.267 20 0 BEADMN CN(CCN(C)Cc1ccoc1)Cc1ccoc1 ZINC000358984341 387040613 /nfs/dbraw/zinc/04/06/13/387040613.db2.gz SWRHIEIZTAMTOW-UHFFFAOYSA-N 0 1 248.326 2.436 20 0 BEADMN Cc1ccc(C)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000070076051 387043249 /nfs/dbraw/zinc/04/32/49/387043249.db2.gz XSMAOUYMKCZVGI-BETUJISGSA-N 0 1 246.354 2.126 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334967625 387050486 /nfs/dbraw/zinc/05/04/86/387050486.db2.gz PODAZKWQPLELKU-MNOVXSKESA-N 0 1 215.312 2.114 20 0 BEADMN F[C@@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000336222824 387062605 /nfs/dbraw/zinc/06/26/05/387062605.db2.gz OIBQLGVLZGKHAC-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN COC(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000359179516 387064355 /nfs/dbraw/zinc/06/43/55/387064355.db2.gz LPCRCBNSNNVZKU-CQSZACIVSA-N 0 1 247.338 2.175 20 0 BEADMN COc1cc(C)ccc1CN1CC(C)C1 ZINC000336224663 387065682 /nfs/dbraw/zinc/06/56/82/387065682.db2.gz XQHKBRASYKWZHA-UHFFFAOYSA-N 0 1 205.301 2.455 20 0 BEADMN Cc1ccccc1-n1cc(CNCCCF)nn1 ZINC000514628422 387014763 /nfs/dbraw/zinc/01/47/63/387014763.db2.gz DFFXOEQJDGPXGS-UHFFFAOYSA-N 0 1 248.305 2.025 20 0 BEADMN C[C@H]1C[N@@H+](Cc2c[nH]cn2)CC(C)(C)C1 ZINC000334979849 387066046 /nfs/dbraw/zinc/06/60/46/387066046.db2.gz PVHNMAVUCIKXBZ-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)N1CCCCCO1 ZINC000333204227 387021421 /nfs/dbraw/zinc/02/14/21/387021421.db2.gz OGYWBYDYCNYBDC-UHFFFAOYSA-N 0 1 237.303 2.091 20 0 BEADMN CCc1ccc(NC(=O)NCCN2CCC2)cc1 ZINC000359185575 387066009 /nfs/dbraw/zinc/06/60/09/387066009.db2.gz FWAYHUZJFLQCFP-UHFFFAOYSA-N 0 1 247.342 2.076 20 0 BEADMN C[C@@H](N[C@H]1CCOC1(C)C)c1cc2n(n1)CCC2 ZINC000334882446 387025709 /nfs/dbraw/zinc/02/57/09/387025709.db2.gz KEUQQKUDQKLVKA-MFKMUULPSA-N 0 1 249.358 2.047 20 0 BEADMN CCN(CCC1CC1)Cc1cncnc1OC ZINC000648023752 387027683 /nfs/dbraw/zinc/02/76/83/387027683.db2.gz GEGWSICMFRWXQN-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN COc1cc2c(cc1CN1CC(C)C1)O[C@@H](C)C2 ZINC000519188069 387028274 /nfs/dbraw/zinc/02/82/74/387028274.db2.gz AOQOEWJDTGGQAB-NSHDSACASA-N 0 1 247.338 2.470 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CC(C)(C)CC ZINC000359228173 387070596 /nfs/dbraw/zinc/07/05/96/387070596.db2.gz VZQPJQSSFYOTIF-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@]1(C)CCCN(Cc2ccn(C)n2)C1 ZINC000336235419 387073062 /nfs/dbraw/zinc/07/30/62/387073062.db2.gz RAFIGGRWDRKEAC-CYBMUJFWSA-N 0 1 221.348 2.432 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1COC(C)(C)C1 ZINC000418120851 387074165 /nfs/dbraw/zinc/07/41/65/387074165.db2.gz WLIHUQAUWUSLIY-WDEREUQCSA-N 0 1 237.347 2.121 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000418120850 387075955 /nfs/dbraw/zinc/07/59/55/387075955.db2.gz WLIHUQAUWUSLIY-QWRGUYRKSA-N 0 1 237.347 2.121 20 0 BEADMN CCC1(CC)CN(Cc2cc(C)nn2C)C1 ZINC000418080016 387089279 /nfs/dbraw/zinc/08/92/79/387089279.db2.gz BIZCNNOEAYSBOK-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN COC1CN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000418079498 387090376 /nfs/dbraw/zinc/09/03/76/387090376.db2.gz ACOPHDNIBFZVHZ-TZMCWYRMSA-N 0 1 217.312 2.121 20 0 BEADMN CC(C)[C@@H](NCCF)c1ccc(F)cn1 ZINC000336765404 387091335 /nfs/dbraw/zinc/09/13/35/387091335.db2.gz RBFPYLHFDRJOMA-LLVKDONJSA-N 0 1 214.259 2.477 20 0 BEADMN Cc1n[nH]cc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000335002964 387095721 /nfs/dbraw/zinc/09/57/21/387095721.db2.gz CQCRTSOGOYOIBE-BXKDBHETSA-N 0 1 207.321 2.339 20 0 BEADMN CS[C@H]1CCN([C@H](C)c2cnc(C)cn2)C1 ZINC000336261697 387095775 /nfs/dbraw/zinc/09/57/75/387095775.db2.gz KSHVCEFHUMXGHP-MNOVXSKESA-N 0 1 237.372 2.283 20 0 BEADMN CC1(C)CCCCN(C(=O)c2cnccc2N)C1 ZINC000335005963 387099639 /nfs/dbraw/zinc/09/96/39/387099639.db2.gz XXAPPXINPMRAOZ-UHFFFAOYSA-N 0 1 247.342 2.146 20 0 BEADMN O=C(CC1CC1)NCc1nc2ccc(F)cc2[nH]1 ZINC000359453410 387104167 /nfs/dbraw/zinc/10/41/67/387104167.db2.gz FDQXNIPFHMJRPF-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnccc2N)C[C@H](C)C1 ZINC000335010266 387105307 /nfs/dbraw/zinc/10/53/07/387105307.db2.gz NGCHNYQXMMRVDO-WDEREUQCSA-N 0 1 247.342 2.002 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000336273039 387107088 /nfs/dbraw/zinc/10/70/88/387107088.db2.gz TUUWVULZWXEKAP-IAQYHMDHSA-N 0 1 247.338 2.092 20 0 BEADMN c1ncc(CN2CCSC[C@H]2C2CCC2)cn1 ZINC000334948260 387110697 /nfs/dbraw/zinc/11/06/97/387110697.db2.gz BTBPJSRPBRJPEO-ZDUSSCGKSA-N 0 1 249.383 2.194 20 0 BEADMN CCOC[C@H](NCc1cscn1)C(C)C ZINC000188863541 387111908 /nfs/dbraw/zinc/11/19/08/387111908.db2.gz VMCIAHMMXFUAPI-NSHDSACASA-N 0 1 228.361 2.294 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000069092794 387113325 /nfs/dbraw/zinc/11/33/25/387113325.db2.gz XKIINHUBKVRQQQ-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN COCC1(C)CN(Cc2ccc3c(c2)CCO3)C1 ZINC000459619790 387131890 /nfs/dbraw/zinc/13/18/90/387131890.db2.gz HDQDZDNCFLCVJB-UHFFFAOYSA-N 0 1 247.338 2.090 20 0 BEADMN CCCN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000069092643 387113992 /nfs/dbraw/zinc/11/39/92/387113992.db2.gz SVJHZILBVASGLF-JTQLQIEISA-N 0 1 245.326 2.326 20 0 BEADMN CC(C)C(C)(C)CNCc1csnn1 ZINC000188974033 387122034 /nfs/dbraw/zinc/12/20/34/387122034.db2.gz NGJYBSXYTZKJMW-UHFFFAOYSA-N 0 1 213.350 2.310 20 0 BEADMN CC(C)(C)[C@H]1CN(C(=O)CN)c2ccccc21 ZINC000335030016 387124874 /nfs/dbraw/zinc/12/48/74/387124874.db2.gz MIXBJECGQGKHOP-NSHDSACASA-N 0 1 232.327 2.122 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1CCN(C)CC1 ZINC000057754199 387142836 /nfs/dbraw/zinc/14/28/36/387142836.db2.gz XZVDBZIBLKSXRL-JTQLQIEISA-N 0 1 240.297 2.273 20 0 BEADMN CCC1(C(=O)N2CC(N(C)C)C2)CCCCC1 ZINC000359686693 387145643 /nfs/dbraw/zinc/14/56/43/387145643.db2.gz VWJVPVDSOXUZQH-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2c(F)cccc2Cl)C1 ZINC000418124842 387146595 /nfs/dbraw/zinc/14/65/95/387146595.db2.gz ZWNCUQOBYUZTRY-LYWQIFSTSA-N 0 1 243.709 2.482 20 0 BEADMN COCCN(CC[C@@H](C)F)Cc1cccnc1 ZINC000352401258 387147445 /nfs/dbraw/zinc/14/74/45/387147445.db2.gz HQIGFHFILCXISX-GFCCVEGCSA-N 0 1 240.322 2.278 20 0 BEADMN Cc1cnn(CC[N@@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000336324824 387151639 /nfs/dbraw/zinc/15/16/39/387151639.db2.gz RJPREWPNCFHXCD-NEPJUHHUSA-N 0 1 239.388 2.017 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)[C@H]1C[C@H]1C ZINC000322158593 387154549 /nfs/dbraw/zinc/15/45/49/387154549.db2.gz JOFLZCSRYRWVBT-VGMNWLOBSA-N 0 1 227.739 2.208 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@H](C)C2)o1 ZINC000336326073 387154921 /nfs/dbraw/zinc/15/49/21/387154921.db2.gz FAQSKHXQLREQTF-IUCAKERBSA-N 0 1 209.293 2.171 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC000336332056 387158098 /nfs/dbraw/zinc/15/80/98/387158098.db2.gz MTTXXCUDUYWSOK-LBPRGKRZSA-N 0 1 236.363 2.073 20 0 BEADMN CO[C@@H](CNc1cc(C)ccn1)C1CC1 ZINC000292835540 387192946 /nfs/dbraw/zinc/19/29/46/387192946.db2.gz QCVCGOCBZFEFDV-NSHDSACASA-N 0 1 206.289 2.227 20 0 BEADMN c1cc2ccc(CNCc3cccnc3)nc2[nH]1 ZINC000353225641 387162125 /nfs/dbraw/zinc/16/21/25/387162125.db2.gz MPSLGZAMLUAFHI-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cc(C)on1)C(C)C ZINC000284242718 387163286 /nfs/dbraw/zinc/16/32/86/387163286.db2.gz VFOISMHHUZVNHW-PWSUYJOCSA-N 0 1 226.320 2.305 20 0 BEADMN CC[C@@H](NC(=O)CN1CC[C@@H](C)C1)C(C)(C)C ZINC000571774754 387167208 /nfs/dbraw/zinc/16/72/08/387167208.db2.gz RKTRXFJRUXJYAP-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](F)CCN1CCc2ncsc2C1 ZINC000352412871 387168589 /nfs/dbraw/zinc/16/85/89/387168589.db2.gz JQFWTCCTBCRATP-QMMMGPOBSA-N 0 1 214.309 2.249 20 0 BEADMN COC(=O)[C@H](C)N(CCCCF)C1CCC1 ZINC000352412991 387168794 /nfs/dbraw/zinc/16/87/94/387168794.db2.gz KSHRKCJUFSEKDT-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCC(F)(F)CN ZINC000423333899 387181354 /nfs/dbraw/zinc/18/13/54/387181354.db2.gz FGJNKVALMHBOOV-AXFHLTTASA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000336355730 387185135 /nfs/dbraw/zinc/18/51/35/387185135.db2.gz JYZYXUIYYCIPMB-VXGBXAGGSA-N 0 1 236.363 2.337 20 0 BEADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccon1 ZINC000119417496 387132956 /nfs/dbraw/zinc/13/29/56/387132956.db2.gz DPMFZVXRHZDZNC-LLVKDONJSA-N 0 1 246.310 2.443 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2c(O)cccc2F)C1 ZINC000228854073 387134242 /nfs/dbraw/zinc/13/42/42/387134242.db2.gz UYHOMTQDDHZENA-BDAKNGLRSA-N 0 1 237.274 2.402 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@H]2C)sc1C ZINC000300368524 387202144 /nfs/dbraw/zinc/20/21/44/387202144.db2.gz PFPKOSODOBYZLS-JQWIXIFHSA-N 0 1 240.372 2.417 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](C)[C@H]2CCOC2)o1 ZINC000300399426 387203353 /nfs/dbraw/zinc/20/33/53/387203353.db2.gz WLKAOHZWLDPVAF-VWYCJHECSA-N 0 1 224.304 2.059 20 0 BEADMN CCc1cccc(F)c1CN(CCO)C1CC1 ZINC000353450528 387205489 /nfs/dbraw/zinc/20/54/89/387205489.db2.gz USXMGMMUJYCUNN-UHFFFAOYSA-N 0 1 237.318 2.345 20 0 BEADMN CC(C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000336373246 387206373 /nfs/dbraw/zinc/20/63/73/387206373.db2.gz XOIKRPOKOUZEND-UHFFFAOYSA-N 0 1 230.271 2.066 20 0 BEADMN CCOc1ccccc1CN(C)C1CC(O)C1 ZINC000353465532 387206888 /nfs/dbraw/zinc/20/68/88/387206888.db2.gz FIWZLLURMUNXRG-UHFFFAOYSA-N 0 1 235.327 2.040 20 0 BEADMN CCc1nn(C)cc1CNCc1ccsc1 ZINC000092369693 387211186 /nfs/dbraw/zinc/21/11/86/387211186.db2.gz JWIVUWXDMUJOPI-UHFFFAOYSA-N 0 1 235.356 2.334 20 0 BEADMN CN(Cc1ccccc1F)[C@H]1CCCOC1 ZINC000336396530 387225187 /nfs/dbraw/zinc/22/51/87/387225187.db2.gz JENVSANFYBXBBT-LBPRGKRZSA-N 0 1 223.291 2.437 20 0 BEADMN Cc1noc([C@H]2CCCN2CCC2CC2)n1 ZINC000353574224 387228257 /nfs/dbraw/zinc/22/82/57/387228257.db2.gz MUGREQSFFXDENO-LLVKDONJSA-N 0 1 221.304 2.315 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCOC[C@@H]1C ZINC000648638976 387229659 /nfs/dbraw/zinc/22/96/59/387229659.db2.gz ZSTYVVAIBJNQCO-MNOVXSKESA-N 0 1 225.357 2.400 20 0 BEADMN CCN(Cc1ccc(Cl)cn1)[C@H]1CCOC1 ZINC000572088653 387229775 /nfs/dbraw/zinc/22/97/75/387229775.db2.gz PLGDTWYOXIUXFO-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)nc1 ZINC000336405021 387234564 /nfs/dbraw/zinc/23/45/64/387234564.db2.gz GUBNGWXDMBESGF-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CCc1cccc(F)c1CN(C)Cc1nnc[nH]1 ZINC000353661086 387253459 /nfs/dbraw/zinc/25/34/59/387253459.db2.gz NXPGEGYTGNBSSA-UHFFFAOYSA-N 0 1 248.305 2.138 20 0 BEADMN CO[C@H](C)CN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000360214968 387245029 /nfs/dbraw/zinc/24/50/29/387245029.db2.gz YIXIVSWHTKQOLD-GZBFAFLISA-N 0 1 249.354 2.483 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000572132259 387246248 /nfs/dbraw/zinc/24/62/48/387246248.db2.gz SAOHHNCNYNYNEJ-NSHDSACASA-N 0 1 234.299 2.081 20 0 BEADMN C[C@H]1CCCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000187975407 387249667 /nfs/dbraw/zinc/24/96/67/387249667.db2.gz PIJXDGCIEKBHIC-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc(CNCc2cccc(CO)c2)nc1 ZINC000230220831 387250799 /nfs/dbraw/zinc/25/07/99/387250799.db2.gz ALFGBXLXBGTEAF-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN CCc1ccccc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000162039698 387250800 /nfs/dbraw/zinc/25/08/00/387250800.db2.gz NTQFFNVCUGWXRQ-TXEJJXNPSA-N 0 1 246.354 2.071 20 0 BEADMN CCOCCN(C)Cc1ccc(C)nc1C ZINC000187398346 387194401 /nfs/dbraw/zinc/19/44/01/387194401.db2.gz XPMZNNXDGJYLIJ-UHFFFAOYSA-N 0 1 222.332 2.167 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NCC(F)(F)CN)C1 ZINC000423345048 387195073 /nfs/dbraw/zinc/19/50/73/387195073.db2.gz NNASVTGDCXIYOK-GHMZBOCLSA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@@H](C(=O)OC)N1CC[C@@H](C)C(C)(C)C1 ZINC000354031940 387313678 /nfs/dbraw/zinc/31/36/78/387313678.db2.gz RLOXOGOWCOHPAR-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cnc(CNC2(CCO)CCCCC2)o1 ZINC000353676469 387256592 /nfs/dbraw/zinc/25/65/92/387256592.db2.gz NUEVTLRZJCVJAP-UHFFFAOYSA-N 0 1 238.331 2.158 20 0 BEADMN Cc1nc(CN[C@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230316973 387261712 /nfs/dbraw/zinc/26/17/12/387261712.db2.gz FKKSVIZADVOSTA-NWDGAFQWSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1csc(CN[C@@H]2CCO[C@H]2C2CC2)n1 ZINC000230314598 387261873 /nfs/dbraw/zinc/26/18/73/387261873.db2.gz BPTIMMXHFPYGHV-PWSUYJOCSA-N 0 1 238.356 2.109 20 0 BEADMN CCN(CC(=O)c1cccn1C)CC1CCC1 ZINC000230324446 387263007 /nfs/dbraw/zinc/26/30/07/387263007.db2.gz JNZNZJBCMHEDJR-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN COc1cc(CNCc2ccoc2C)ccn1 ZINC000321489074 387267240 /nfs/dbraw/zinc/26/72/40/387267240.db2.gz FWICBCIGIXJFRV-UHFFFAOYSA-N 0 1 232.283 2.281 20 0 BEADMN Cc1ccncc1CN1CCOCC2(CC2)C1 ZINC000336443173 387270149 /nfs/dbraw/zinc/27/01/49/387270149.db2.gz ABCLFFFEBFSGLY-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC=C(F)C1 ZINC000336440653 387270656 /nfs/dbraw/zinc/27/06/56/387270656.db2.gz NNYBSDKQSGIOEG-UHFFFAOYSA-N 0 1 245.257 2.262 20 0 BEADMN Cc1nc(CN(C)Cc2ccc(C)c(C)c2)n[nH]1 ZINC000353805985 387277157 /nfs/dbraw/zinc/27/71/57/387277157.db2.gz PBRLIKUGAJVPER-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN Cc1nc(CN(C)Cc2cc(C)ccc2F)n[nH]1 ZINC000353812963 387280867 /nfs/dbraw/zinc/28/08/67/387280867.db2.gz YFLREICRZPZKJX-UHFFFAOYSA-N 0 1 248.305 2.193 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1C[C@H]1CC=CCC1 ZINC000353827949 387282440 /nfs/dbraw/zinc/28/24/40/387282440.db2.gz QRCIFRBYYAZLBF-LMOYCYGVSA-N 0 1 241.400 2.184 20 0 BEADMN CCC[C@@H]1CCCN(Cc2nnc(C)o2)C1 ZINC000121061867 387290926 /nfs/dbraw/zinc/29/09/26/387290926.db2.gz FEJNEHALFLOODR-LLVKDONJSA-N 0 1 223.320 2.390 20 0 BEADMN Cc1occc1CN(C)[C@@H]1CCCOC1 ZINC000336463832 387292170 /nfs/dbraw/zinc/29/21/70/387292170.db2.gz SEHVLFIODLBDRK-GFCCVEGCSA-N 0 1 209.289 2.199 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC[C@@H](C)C2)c1C ZINC000336462328 387292404 /nfs/dbraw/zinc/29/24/04/387292404.db2.gz SVWFRZLIMYGRNH-LDYMZIIASA-N 0 1 235.331 2.193 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000212842207 387299186 /nfs/dbraw/zinc/29/91/86/387299186.db2.gz VOBZHDFHNBLJSH-CYBMUJFWSA-N 0 1 249.310 2.005 20 0 BEADMN c1cc(CN2CC[C@@H]2Cc2ccccc2)n[nH]1 ZINC000353975894 387304140 /nfs/dbraw/zinc/30/41/40/387304140.db2.gz WJPXFZYKHGDKNK-CQSZACIVSA-N 0 1 227.311 2.227 20 0 BEADMN c1cc(CN2CC[C@H]2Cc2ccccc2)n[nH]1 ZINC000353975893 387305199 /nfs/dbraw/zinc/30/51/99/387305199.db2.gz WJPXFZYKHGDKNK-AWEZNQCLSA-N 0 1 227.311 2.227 20 0 BEADMN CCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000078774816 387306199 /nfs/dbraw/zinc/30/61/99/387306199.db2.gz ISHQHSIOZZNCMI-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CO[C@@](C)(CN[C@H](C)c1cc(C)on1)C1CC1 ZINC000360994068 387384090 /nfs/dbraw/zinc/38/40/90/387384090.db2.gz DFMKHIBBYDUUHY-MFKMUULPSA-N 0 1 238.331 2.449 20 0 BEADMN CCn1nnc(C)c1CN1CCC(C2CC2)CC1 ZINC000648592407 387363149 /nfs/dbraw/zinc/36/31/49/387363149.db2.gz BKDBBHFTIBACCG-UHFFFAOYSA-N 0 1 248.374 2.228 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C2CCC2)CC1 ZINC000354362773 387365561 /nfs/dbraw/zinc/36/55/61/387365561.db2.gz ZETVTVKRUSUWFV-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN(C)C(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000360941562 387371062 /nfs/dbraw/zinc/37/10/62/387371062.db2.gz MVCWQSKBTWUVSK-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C=Cn1cc(CNCc2ccccc2)cn1 ZINC000194339019 387384747 /nfs/dbraw/zinc/38/47/47/387384747.db2.gz AQFMERPJHFWHEK-UHFFFAOYSA-N 0 1 213.284 2.273 20 0 BEADMN Cc1ccnc(C[N@H+]2C[C@@H](C)CC[C@H]2C)n1 ZINC000336555207 387377073 /nfs/dbraw/zinc/37/70/73/387377073.db2.gz BXVRHTDOVVKYLW-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000336555207 387377079 /nfs/dbraw/zinc/37/70/79/387377079.db2.gz BXVRHTDOVVKYLW-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H](NCc1nccc(C(F)F)n1)C1CC1 ZINC000287146926 387379087 /nfs/dbraw/zinc/37/90/87/387379087.db2.gz SOVFGIXSJRSBOL-SSDOTTSWSA-N 0 1 227.258 2.302 20 0 BEADMN Cc1cnc(CN2CCC(C)(C)C2)cn1 ZINC000336555758 387379969 /nfs/dbraw/zinc/37/99/69/387379969.db2.gz NWQKXCRUWNVSFZ-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN C[N@@H+](Cc1cnccn1)C1CCCCC1 ZINC000336495770 387320489 /nfs/dbraw/zinc/32/04/89/387320489.db2.gz VQGJMTYJRNASQU-UHFFFAOYSA-N 0 1 205.305 2.241 20 0 BEADMN Cc1noc([C@@H](C)NCCCc2ccncc2)n1 ZINC000360638289 387327218 /nfs/dbraw/zinc/32/72/18/387327218.db2.gz ZHWQMKXMKDCCNM-SNVBAGLBSA-N 0 1 246.314 2.056 20 0 BEADMN CC(C)CCCN1CC[S@](=O)CC[C@@H]1C ZINC000373038814 387341948 /nfs/dbraw/zinc/34/19/48/387341948.db2.gz WUSZCHXLCZZUJY-SWLSCSKDSA-N 0 1 231.405 2.266 20 0 BEADMN Cc1cc(C)cc(CN(C)C(=O)c2cnc[nH]2)c1 ZINC000336524089 387349527 /nfs/dbraw/zinc/34/95/27/387349527.db2.gz JPCIJJBLKALOGQ-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CO[C@@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000373290315 387351979 /nfs/dbraw/zinc/35/19/79/387351979.db2.gz VQVDYVICHRTORW-JQWIXIFHSA-N 0 1 224.304 2.155 20 0 BEADMN Cc1cn[nH]c1CN1CCOC[C@H]1CC1CCC1 ZINC000354734600 387424119 /nfs/dbraw/zinc/42/41/19/387424119.db2.gz QYYJAYDAKJBRDW-CYBMUJFWSA-N 0 1 249.358 2.109 20 0 BEADMN CO[C@H](C[N@@H+](C)[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000352668310 387429574 /nfs/dbraw/zinc/42/95/74/387429574.db2.gz RADLMGUKMUMJAX-SOUVJXGZSA-N 0 1 249.354 2.219 20 0 BEADMN FC(F)(F)COCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000374302944 387441131 /nfs/dbraw/zinc/44/11/31/387441131.db2.gz RDBCFLFNXYNKLG-JTQLQIEISA-N 0 1 237.265 2.297 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCCC(F)(F)C1 ZINC000304158382 387442410 /nfs/dbraw/zinc/44/24/10/387442410.db2.gz ALDSSRRFXZFJDJ-SNVBAGLBSA-N 0 1 249.301 2.307 20 0 BEADMN CC(C)c1cc(=NCC2(C)CCOCC2)[nH]o1 ZINC000361442956 387461889 /nfs/dbraw/zinc/46/18/89/387461889.db2.gz MYASJGCVIMDJIW-UHFFFAOYSA-N 0 1 238.331 2.449 20 0 BEADMN Cc1noc(C)c1CN(C(C)C)[C@H]1CCOC1 ZINC000361415263 387457712 /nfs/dbraw/zinc/45/77/12/387457712.db2.gz OEIXKMNENQAFLT-LBPRGKRZSA-N 0 1 238.331 2.291 20 0 BEADMN Cc1noc(C)c1CN(C(C)C)[C@@H]1CCOC1 ZINC000361415262 387457780 /nfs/dbraw/zinc/45/77/80/387457780.db2.gz OEIXKMNENQAFLT-GFCCVEGCSA-N 0 1 238.331 2.291 20 0 BEADMN CC[C@H](O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000304290039 387458886 /nfs/dbraw/zinc/45/88/86/387458886.db2.gz CBQZVMLVHPSURX-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](O)[C@@H]1CCCCN1Cc1ncc(C)o1 ZINC000304290668 387459046 /nfs/dbraw/zinc/45/90/46/387459046.db2.gz CLBMKLBBSIEKPL-RYUDHWBXSA-N 0 1 238.331 2.108 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@H](C)C1 ZINC000082776903 387388060 /nfs/dbraw/zinc/38/80/60/387388060.db2.gz XGCZQVMWSYZSCZ-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N(C)CC1CC1 ZINC000082776935 387389403 /nfs/dbraw/zinc/38/94/03/387389403.db2.gz GROHTQANSLNILR-SECBINFHSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1cncc(CNCc2ccnn2C(C)C)c1 ZINC000354577243 387397736 /nfs/dbraw/zinc/39/77/36/387397736.db2.gz WZMXAPIYDJXQIY-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)o1 ZINC000361151121 387406476 /nfs/dbraw/zinc/40/64/76/387406476.db2.gz CYIMZYCGAHXRTJ-NEPJUHHUSA-N 0 1 236.359 2.366 20 0 BEADMN COC(=O)c1csc([C@H](C)NCCF)c1 ZINC000287578262 387460925 /nfs/dbraw/zinc/46/09/25/387460925.db2.gz QXOISYKWONDJOP-ZETCQYMHSA-N 0 1 231.292 2.155 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1C ZINC000361193685 387414901 /nfs/dbraw/zinc/41/49/01/387414901.db2.gz ILUFZNGXSRZENI-WOPDTQHZSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H](O)CCCN(C)Cc1nc2ccccc2o1 ZINC000354667407 387415200 /nfs/dbraw/zinc/41/52/00/387415200.db2.gz RCISOKKZGMRMQP-NSHDSACASA-N 0 1 248.326 2.421 20 0 BEADMN CSCCN1CCC[C@@H]1c1cc(C)on1 ZINC000361203650 387415785 /nfs/dbraw/zinc/41/57/85/387415785.db2.gz LGGXBUVGEDPFKS-LLVKDONJSA-N 0 1 226.345 2.483 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)CN1CCC(C)CC1 ZINC000136260731 387416022 /nfs/dbraw/zinc/41/60/22/387416022.db2.gz OADXLZKWPIKNKL-QWHCGFSZSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000336592399 387416458 /nfs/dbraw/zinc/41/64/58/387416458.db2.gz IDBINDDYPRJGOH-KOLCDFICSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)n[nH]1 ZINC000354696829 387416993 /nfs/dbraw/zinc/41/69/93/387416993.db2.gz DAICYPBLWPFPQZ-FXPVBKGRSA-N 0 1 235.331 2.225 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000336592398 387417165 /nfs/dbraw/zinc/41/71/65/387417165.db2.gz IDBINDDYPRJGOH-GXSJLCMTSA-N 0 1 235.331 2.233 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000336592401 387417323 /nfs/dbraw/zinc/41/73/23/387417323.db2.gz IDBINDDYPRJGOH-ONGXEEELSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]3CCC[C@H]32)[nH]1 ZINC000266448451 387496393 /nfs/dbraw/zinc/49/63/93/387496393.db2.gz CFGDPVLSESVVFW-ZYHUDNBSSA-N 0 1 233.315 2.123 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000266448442 387496511 /nfs/dbraw/zinc/49/65/11/387496511.db2.gz CFGDPVLSESVVFW-CMPLNLGQSA-N 0 1 233.315 2.123 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1ccncn1 ZINC000395884077 387502029 /nfs/dbraw/zinc/50/20/29/387502029.db2.gz DAADXMBUKLEFKF-LBPRGKRZSA-N 0 1 237.347 2.190 20 0 BEADMN CC[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC000421919362 387503008 /nfs/dbraw/zinc/50/30/08/387503008.db2.gz QJJJHHKZNNNSIA-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1n[nH]cc1CN1C[C@H](C)OC2(CCCC2)C1 ZINC000648077401 387503248 /nfs/dbraw/zinc/50/32/48/387503248.db2.gz OHGVCFWOYRKZEY-NSHDSACASA-N 0 1 249.358 2.252 20 0 BEADMN CCN(CC[S@](=O)c1ccccc1)C1CC1 ZINC000355248820 387505813 /nfs/dbraw/zinc/50/58/13/387505813.db2.gz BXHFBTQRSIZYLS-INIZCTEOSA-N 0 1 237.368 2.279 20 0 BEADMN Cc1ccc(CCCN2CCOCC2(C)C)cn1 ZINC000355491851 387543287 /nfs/dbraw/zinc/54/32/87/387543287.db2.gz FOQQBNORQCSOPF-UHFFFAOYSA-N 0 1 248.370 2.433 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000042163596 387508656 /nfs/dbraw/zinc/50/86/56/387508656.db2.gz AJDBLEYSAWAPHJ-GFCCVEGCSA-N 0 1 219.284 2.126 20 0 BEADMN CC[C@]1(C)CN(C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000355280379 387511365 /nfs/dbraw/zinc/51/13/65/387511365.db2.gz NFGGQDYEIYDWDW-FRRDWIJNSA-N 0 1 227.348 2.055 20 0 BEADMN CCc1ccc(CNCc2ncccc2O)o1 ZINC000355293039 387513229 /nfs/dbraw/zinc/51/32/29/387513229.db2.gz PYXAMECOZYGUAI-UHFFFAOYSA-N 0 1 232.283 2.232 20 0 BEADMN C[C@]1(O)CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000361640175 387516827 /nfs/dbraw/zinc/51/68/27/387516827.db2.gz SIMYRMFVCUNVTP-AWEZNQCLSA-N 0 1 248.301 2.264 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000516513396 387518300 /nfs/dbraw/zinc/51/83/00/387518300.db2.gz VJSNMVWCQWSUMC-NSHDSACASA-N 0 1 218.300 2.019 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000516513396 387518305 /nfs/dbraw/zinc/51/83/05/387518305.db2.gz VJSNMVWCQWSUMC-NSHDSACASA-N 0 1 218.300 2.019 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2CCCOC2)o1 ZINC000355327313 387519816 /nfs/dbraw/zinc/51/98/16/387519816.db2.gz VLKSJJTWOQNZKE-SDDRHHMPSA-N 0 1 238.331 2.449 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)[C@@H](C)[C@H](C)O1 ZINC000361850165 387544097 /nfs/dbraw/zinc/54/40/97/387544097.db2.gz PUICOJIFRGMIGQ-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN C[N@H+](Cc1ncccn1)C[C@H]1CC=CCC1 ZINC000361748034 387529036 /nfs/dbraw/zinc/52/90/36/387529036.db2.gz QDLXLNROXNWBDQ-LBPRGKRZSA-N 0 1 217.316 2.265 20 0 BEADMN CN(Cc1ncccn1)C[C@H]1CC=CCC1 ZINC000361748034 387529040 /nfs/dbraw/zinc/52/90/40/387529040.db2.gz QDLXLNROXNWBDQ-LBPRGKRZSA-N 0 1 217.316 2.265 20 0 BEADMN FC1=CCCN(C[C@H]2CCSC2)C1 ZINC000307307021 387530079 /nfs/dbraw/zinc/53/00/79/387530079.db2.gz YMDWONABXNGGRW-SECBINFHSA-N 0 1 201.310 2.299 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@H]2C)cs1 ZINC000307551762 387530255 /nfs/dbraw/zinc/53/02/55/387530255.db2.gz ZJSYEHDNSRORDG-GMSGAONNSA-N 0 1 228.386 2.293 20 0 BEADMN CCc1c[nH+]ccc1NC([O-])=C(C)C(F)(F)F ZINC000361795892 387536066 /nfs/dbraw/zinc/53/60/66/387536066.db2.gz MJBIMBDSYQVMRM-SSDOTTSWSA-N 0 1 246.232 2.203 20 0 BEADMN Cc1cc(CNCc2cnc(C)cc2C)n(C)n1 ZINC000397096801 387542033 /nfs/dbraw/zinc/54/20/33/387542033.db2.gz NPGXEBGIQOPCIY-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN Cc1nccc(NCCC2(CO)CC2)c1Cl ZINC000395829108 387471626 /nfs/dbraw/zinc/47/16/26/387471626.db2.gz YAWUQVPKTVUGCQ-UHFFFAOYSA-N 0 1 240.734 2.040 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C)C[C@@H](C)N1 ZINC000424074435 387478458 /nfs/dbraw/zinc/47/84/58/387478458.db2.gz HFBPCYKPDBMTTO-UMSGYPCISA-N 0 1 238.375 2.022 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2ncccc2O)CC1 ZINC000516215101 387482298 /nfs/dbraw/zinc/48/22/98/387482298.db2.gz GGYRTNKNUAKAON-UHFFFAOYSA-N 0 1 218.300 2.329 20 0 BEADMN C=C/C=C\CCN1CC[C@H](C)C[C@H]1C(=O)OC ZINC001645380003 1172662207 /nfs/dbraw/zinc/66/22/07/1172662207.db2.gz LDFMLGYHXTVINY-IBPBTGAJSA-N 0 1 237.343 2.392 20 0 BEADMN C[C@H](O)CN(Cc1ccccc1)CC1(F)CC1 ZINC000527509769 387586168 /nfs/dbraw/zinc/58/61/68/387586168.db2.gz GYTYBSRVLOKPRH-LBPRGKRZSA-N 0 1 237.318 2.372 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)Cc2nccn2C)C1 ZINC000195514552 387587760 /nfs/dbraw/zinc/58/77/60/387587760.db2.gz BWBZFCXAIJSARW-NWDGAFQWSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@@H](O)CN(Cc1ccccc1)CC1(F)CC1 ZINC000527509768 387587902 /nfs/dbraw/zinc/58/79/02/387587902.db2.gz GYTYBSRVLOKPRH-GFCCVEGCSA-N 0 1 237.318 2.372 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)C2(C)CC2)CC1 ZINC000375912487 387591792 /nfs/dbraw/zinc/59/17/92/387591792.db2.gz BQRDCDTULIGBCC-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)C(C)C)CC1 ZINC000375921211 387595467 /nfs/dbraw/zinc/59/54/67/387595467.db2.gz IFQKDIDEXWWHPM-UHFFFAOYSA-N 0 1 235.331 2.080 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@]2(C)CC2(F)F)n1 ZINC000422551129 387597891 /nfs/dbraw/zinc/59/78/91/387597891.db2.gz MSWGAVWTXHDZPQ-XVKPBYJWSA-N 0 1 245.273 2.412 20 0 BEADMN NC1(c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)CCC1 ZINC000422552578 387597949 /nfs/dbraw/zinc/59/79/49/387597949.db2.gz QQUOZRVTLFLJDP-OPRDCNLKSA-N 0 1 233.315 2.311 20 0 BEADMN CCC[C@H](C)C(=O)NCCN1CC=C(C)CC1 ZINC000355522982 387547566 /nfs/dbraw/zinc/54/75/66/387547566.db2.gz PCDGGRSFFVBLJG-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN CCCc1nc(C)c(CN[C@H](C)[C@@H](C)OC)o1 ZINC000426344960 387556616 /nfs/dbraw/zinc/55/66/16/387556616.db2.gz VOIKVGUCPLGCBE-MWLCHTKSSA-N 0 1 240.347 2.449 20 0 BEADMN C[C@H](O)CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000375612011 387558032 /nfs/dbraw/zinc/55/80/32/387558032.db2.gz LQNLBMGCTFFYAD-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H]1[C@@H](C)N(CC(=O)OC(C)(C)C)C[C@H]1C ZINC000399743848 387569162 /nfs/dbraw/zinc/56/91/62/387569162.db2.gz JYCRGXOOGVDIKS-GMTAPVOTSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cccc(Cl)c1 ZINC000037990285 387570259 /nfs/dbraw/zinc/57/02/59/387570259.db2.gz JYOWCCDISOFDRI-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)o1 ZINC000426459266 387571057 /nfs/dbraw/zinc/57/10/57/387571057.db2.gz JYLIFSGLQVBEOQ-ZYHUDNBSSA-N 0 1 249.310 2.441 20 0 BEADMN c1nc(CN(CC2CC2)C2CCC2)co1 ZINC000355722035 387571443 /nfs/dbraw/zinc/57/14/43/387571443.db2.gz AWGKQGYNMFUPEU-UHFFFAOYSA-N 0 1 206.289 2.439 20 0 BEADMN CC(C)CCCNC(=O)[C@H](N)c1ccccc1 ZINC000038093896 387571980 /nfs/dbraw/zinc/57/19/80/387571980.db2.gz JEVFAZCEUWUBMA-CYBMUJFWSA-N 0 1 234.343 2.239 20 0 BEADMN CC(C)CCCNC(=O)[C@@H](N)c1ccccc1 ZINC000038093897 387572958 /nfs/dbraw/zinc/57/29/58/387572958.db2.gz JEVFAZCEUWUBMA-ZDUSSCGKSA-N 0 1 234.343 2.239 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@H]2CCC[C@H]21 ZINC000426482289 387573714 /nfs/dbraw/zinc/57/37/14/387573714.db2.gz KIANGKMYVFVQBK-ZYHUDNBSSA-N 0 1 249.310 2.441 20 0 BEADMN CCN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355728447 387573946 /nfs/dbraw/zinc/57/39/46/387573946.db2.gz CSTUPHGZFOQCCR-AGIUHOORSA-N 0 1 240.391 2.221 20 0 BEADMN Cn1cncc1C[N@@H+](CC1CC1)C1CCC1 ZINC000355728520 387573962 /nfs/dbraw/zinc/57/39/62/387573962.db2.gz KEQMTKTWYMKYEW-UHFFFAOYSA-N 0 1 219.332 2.185 20 0 BEADMN Cn1nccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000355727581 387574045 /nfs/dbraw/zinc/57/40/45/387574045.db2.gz JGZRYYIIYKDVBZ-UHFFFAOYSA-N 0 1 219.332 2.185 20 0 BEADMN C[C@H](CN1CC(=O)NCC1(C)C)CC(C)(C)C ZINC001645399799 1172662893 /nfs/dbraw/zinc/66/28/93/1172662893.db2.gz CFEVWUUYPSRSDS-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC[N@H+](CC(=O)OC)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356198769 387628018 /nfs/dbraw/zinc/62/80/18/387628018.db2.gz YSLYJGHBZPPDSZ-AAEUAGOBSA-N 0 1 239.359 2.474 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000356198769 387628023 /nfs/dbraw/zinc/62/80/23/387628023.db2.gz YSLYJGHBZPPDSZ-AAEUAGOBSA-N 0 1 239.359 2.474 20 0 BEADMN COC(=O)c1occc1C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123092670 387644796 /nfs/dbraw/zinc/64/47/96/387644796.db2.gz FUXZPSXCWJTWSZ-AOOOYVTPSA-N 0 1 237.299 2.439 20 0 BEADMN COC(=O)c1occc1CN1[C@H](C)CC[C@@H]1C ZINC000123092670 387644800 /nfs/dbraw/zinc/64/48/00/387644800.db2.gz FUXZPSXCWJTWSZ-AOOOYVTPSA-N 0 1 237.299 2.439 20 0 BEADMN CCOC(=O)CN(CC(CC)CC)C1CC1 ZINC000148940157 387649823 /nfs/dbraw/zinc/64/98/23/387649823.db2.gz FEZCUFLZZIEZRJ-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CSC1(CN(C)Cc2ccnn2C)CCC1 ZINC000356386787 387652090 /nfs/dbraw/zinc/65/20/90/387652090.db2.gz GLPDYVGOEINKQF-UHFFFAOYSA-N 0 1 239.388 2.138 20 0 BEADMN C[C@H](NCc1cocn1)[C@@H]1C[C@H]1C1CC1 ZINC000527657068 387662342 /nfs/dbraw/zinc/66/23/42/387662342.db2.gz NGGWXMVUNULSIY-UWJYBYFXSA-N 0 1 206.289 2.199 20 0 BEADMN CC(C)COCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000376737648 387667479 /nfs/dbraw/zinc/66/74/79/387667479.db2.gz BDVCTRSGMUXHCH-TZMCWYRMSA-N 0 1 241.375 2.158 20 0 BEADMN CC(C)COCCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000376737648 387667484 /nfs/dbraw/zinc/66/74/84/387667484.db2.gz BDVCTRSGMUXHCH-TZMCWYRMSA-N 0 1 241.375 2.158 20 0 BEADMN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccco1 ZINC000306045215 387672177 /nfs/dbraw/zinc/67/21/77/387672177.db2.gz UVTJBWJNRKRVBM-SDDRHHMPSA-N 0 1 248.326 2.084 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)Nc2ncccn2)n[nH]1 ZINC000362956418 387678985 /nfs/dbraw/zinc/67/89/85/387678985.db2.gz YEVJPRGMVKKGLP-BDAKNGLRSA-N 0 1 246.318 2.281 20 0 BEADMN CCn1nncc1CNCc1cc(C)ccc1C ZINC000527728916 387680103 /nfs/dbraw/zinc/68/01/03/387680103.db2.gz OKFVELVQWKDYDP-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CC[C@H](F)CN1CCc2ccccc2[C@H]1CO ZINC000440767554 387687543 /nfs/dbraw/zinc/68/75/43/387687543.db2.gz SWPJBHCIBKIAGL-GXTWGEPZSA-N 0 1 237.318 2.326 20 0 BEADMN Cc1cc(F)c(CN[C@@H](C)CCO)c(F)c1 ZINC000424139838 387688767 /nfs/dbraw/zinc/68/87/67/387688767.db2.gz FODGBFIJOCNKBA-VIFPVBQESA-N 0 1 229.270 2.134 20 0 BEADMN CC(C)C(C)(C)[S@@](=O)C=C(O)c1ccc[nH]1 ZINC000431208956 387690285 /nfs/dbraw/zinc/69/02/85/387690285.db2.gz RVFSSCIMZOTAIN-INIZCTEOSA-N 0 1 241.356 2.381 20 0 BEADMN CCCCNC(=O)C[N@H+]1C[C@@H](CC)CC[C@H]1C ZINC000451963505 387690340 /nfs/dbraw/zinc/69/03/40/387690340.db2.gz JAZLGOVAEVCLND-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000128293825 387742678 /nfs/dbraw/zinc/74/26/78/387742678.db2.gz XLFXZUVGYXPFTD-UHFFFAOYSA-N 0 1 245.326 2.412 20 0 BEADMN CCC[C@@H](NCc1cncn1C)c1ccccn1 ZINC000356926068 387748690 /nfs/dbraw/zinc/74/86/90/387748690.db2.gz TUSNMYBMCNTJMK-CYBMUJFWSA-N 0 1 244.342 2.446 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H]1C)c1ncccc1F ZINC000527828200 387748860 /nfs/dbraw/zinc/74/88/60/387748860.db2.gz PJXLZUVOVAEXBQ-NGZCFLSTSA-N 0 1 224.279 2.049 20 0 BEADMN CCC(CC)CN(CC)[C@H](C)c1nnnn1C ZINC000188729213 387753568 /nfs/dbraw/zinc/75/35/68/387753568.db2.gz CPFRKXSDTSCOPD-SNVBAGLBSA-N 0 1 239.367 2.029 20 0 BEADMN Cc1cc(F)c(CNC[C@H](O)C2CC2)c(F)c1 ZINC000424143890 387754585 /nfs/dbraw/zinc/75/45/85/387754585.db2.gz KBOQZCNXXPDIOK-ZDUSSCGKSA-N 0 1 241.281 2.134 20 0 BEADMN CC[C@H](F)CNC(C)(C)C(=O)NCC(C)(C)C ZINC000440792008 387699270 /nfs/dbraw/zinc/69/92/70/387699270.db2.gz KKPXULNMIHTINB-JTQLQIEISA-N 0 1 246.370 2.265 20 0 BEADMN COC(=O)C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000123489973 387701106 /nfs/dbraw/zinc/70/11/06/387701106.db2.gz DWAGJSXDBRMMGB-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)CN1CCCC[C@@H]1CC(C)C ZINC000123489973 387701112 /nfs/dbraw/zinc/70/11/12/387701112.db2.gz DWAGJSXDBRMMGB-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CCCn1ncnc1CN1[C@H](C)CCC1(C)C ZINC000452019225 387702096 /nfs/dbraw/zinc/70/20/96/387702096.db2.gz YQEOMTNPYWAPQX-LLVKDONJSA-N 0 1 236.363 2.451 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1occc1C ZINC000527782895 387709508 /nfs/dbraw/zinc/70/95/08/387709508.db2.gz LUWFWDCFSNYHJD-NEPJUHHUSA-N 0 1 209.289 2.245 20 0 BEADMN CCC[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)C ZINC000422816944 387713521 /nfs/dbraw/zinc/71/35/21/387713521.db2.gz BSZISYSIXNIUJV-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1NCc1ccccn1 ZINC000527800424 387720974 /nfs/dbraw/zinc/72/09/74/387720974.db2.gz OQFIPEHIHGRALP-OLZOCXBDSA-N 0 1 220.316 2.127 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1NCc1ccco1 ZINC000527799788 387721756 /nfs/dbraw/zinc/72/17/56/387721756.db2.gz MSKWVKXICYFBBB-NEPJUHHUSA-N 0 1 209.289 2.325 20 0 BEADMN CCOCCN1CCc2cc(OCC)ccc2C1 ZINC000441057613 387724215 /nfs/dbraw/zinc/72/42/15/387724215.db2.gz AHIWKHBSOKFOCC-UHFFFAOYSA-N 0 1 249.354 2.480 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H](C3CC3)C2)nn1 ZINC000377882936 387755586 /nfs/dbraw/zinc/75/55/86/387755586.db2.gz HFHGAKLECSZYDC-CYBMUJFWSA-N 0 1 248.374 2.481 20 0 BEADMN CCc1ncc(CN[C@@H]2C[C@]2(C)OC(C)C)cn1 ZINC000527803247 387726207 /nfs/dbraw/zinc/72/62/07/387726207.db2.gz WDQGWRSRLRIFMQ-OCCSQVGLSA-N 0 1 249.358 2.085 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1nccs1 ZINC000527806152 387727771 /nfs/dbraw/zinc/72/77/71/387727771.db2.gz WPDLRJGKOIPFEC-WYOJIJJFSA-N 0 1 226.345 2.045 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)NCc1cnc[nH]1 ZINC000356835431 387730433 /nfs/dbraw/zinc/73/04/33/387730433.db2.gz UIQPJICFKUYUHA-VIFPVBQESA-N 0 1 223.320 2.098 20 0 BEADMN C[C@@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)C(C)(C)C ZINC000356855538 387733057 /nfs/dbraw/zinc/73/30/57/387733057.db2.gz QDBAUSVUIUOEFP-TUAOUCFPSA-N 0 1 240.391 2.220 20 0 BEADMN CCc1cccnc1[C@@H](C)NCC[N@H+](C)CC ZINC000356870554 387736390 /nfs/dbraw/zinc/73/63/90/387736390.db2.gz ODIBXRVLNLFBFK-GFCCVEGCSA-N 0 1 235.375 2.246 20 0 BEADMN COC[C@@H]1CCCN(Cc2cc(C)on2)CC1 ZINC000452094275 387736583 /nfs/dbraw/zinc/73/65/83/387736583.db2.gz WCKDRZOMHYDFHH-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN C[C@@H](NCc1nn(C)cc1Cl)[C@H]1CC12CC2 ZINC000527906600 387762078 /nfs/dbraw/zinc/76/20/78/387762078.db2.gz ZKYQLLCMCUMSJK-RKDXNWHRSA-N 0 1 239.750 2.352 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[S@@](=O)[C@H](C)C1 ZINC000441482410 387765439 /nfs/dbraw/zinc/76/54/39/387765439.db2.gz CXAPRKZUTQSXAI-IAQYHMDHSA-N 0 1 231.405 2.266 20 0 BEADMN CCC(C)(C)CCN1CC[S@@](=O)[C@H](C)C1 ZINC000441482410 387765445 /nfs/dbraw/zinc/76/54/45/387765445.db2.gz CXAPRKZUTQSXAI-IAQYHMDHSA-N 0 1 231.405 2.266 20 0 BEADMN CCc1nnc(CN[C@@H](C)[C@H]2CC23CC3)s1 ZINC000527901161 387780084 /nfs/dbraw/zinc/78/00/84/387780084.db2.gz OCBDSBNLWIWAIR-DTWKUNHWSA-N 0 1 237.372 2.379 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000050924599 387797005 /nfs/dbraw/zinc/79/70/05/387797005.db2.gz IDTBSOZOJFCEHZ-CYBMUJFWSA-N 0 1 248.326 2.301 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccncc1F ZINC000527981659 387797264 /nfs/dbraw/zinc/79/72/64/387797264.db2.gz UUUGPPODJRLSHC-BIMULSAOSA-N 0 1 238.306 2.439 20 0 BEADMN COc1ccc2c(c1)C[N@H+](CCSC)CC2 ZINC000193849133 387807386 /nfs/dbraw/zinc/80/73/86/387807386.db2.gz DKQBJNIPULHCRS-UHFFFAOYSA-N 0 1 237.368 2.416 20 0 BEADMN C[N@@H+](CCc1ccccc1)Cc1ccc(CO)o1 ZINC000169058890 387811703 /nfs/dbraw/zinc/81/17/03/387811703.db2.gz TUQKKMLXUIJWPR-UHFFFAOYSA-N 0 1 245.322 2.446 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC1(C)CCC1 ZINC000432786659 387820629 /nfs/dbraw/zinc/82/06/29/387820629.db2.gz DHEJDUNLFVSTEI-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)c2nccn21 ZINC000528008351 387821016 /nfs/dbraw/zinc/82/10/16/387821016.db2.gz SEXTWXVTSMPSOD-OJEZURLMSA-N 0 1 249.358 2.290 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CC1(C)CCC1 ZINC000432798817 387822307 /nfs/dbraw/zinc/82/23/07/387822307.db2.gz SGXHNROWJLZGEX-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN O=c1[nH]c(Cl)nc2ccc(C(F)(F)F)nc12 ZINC000575624898 387822400 /nfs/dbraw/zinc/82/24/00/387822400.db2.gz STJVEWGFKSVXRI-UHFFFAOYSA-N 0 1 249.579 2.403 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CC1(C)CCC1 ZINC000432836227 387833216 /nfs/dbraw/zinc/83/32/16/387833216.db2.gz SURDFVXZDDWEHQ-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccc(C)nc1 ZINC000058124345 387838632 /nfs/dbraw/zinc/83/86/32/387838632.db2.gz JURBZRALHKEALE-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CN(Cc1cocn1)C[C@@H]1CC=CCC1 ZINC000432916939 387840616 /nfs/dbraw/zinc/84/06/16/387840616.db2.gz KCHYXNQNKNROJT-LLVKDONJSA-N 0 1 206.289 2.463 20 0 BEADMN C[C@H]1[N@@H+](Cc2cocn2)CCC12CCOCC2 ZINC000432925217 387842245 /nfs/dbraw/zinc/84/22/45/387842245.db2.gz QQAQUSRFGSIXLQ-LLVKDONJSA-N 0 1 236.315 2.066 20 0 BEADMN C[C@H]1N(Cc2cocn2)CCC12CCOCC2 ZINC000432925217 387842249 /nfs/dbraw/zinc/84/22/49/387842249.db2.gz QQAQUSRFGSIXLQ-LLVKDONJSA-N 0 1 236.315 2.066 20 0 BEADMN CCCCN(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432934037 387843257 /nfs/dbraw/zinc/84/32/57/387843257.db2.gz YCCOYTAREYPVJI-UHFFFAOYSA-N 0 1 224.352 2.334 20 0 BEADMN Cc1nnc(CN(C)C2CCCCC2)o1 ZINC000061757199 387845081 /nfs/dbraw/zinc/84/50/81/387845081.db2.gz VQFDPRYJFVWWHV-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000452555916 387857669 /nfs/dbraw/zinc/85/76/69/387857669.db2.gz ZZZXFWIFBWVUGV-STQMWFEESA-N 0 1 238.375 2.332 20 0 BEADMN CCN(C)C(=O)[C@@H](C)NCc1ccsc1C ZINC000293138150 387874325 /nfs/dbraw/zinc/87/43/25/387874325.db2.gz COFWJBVMVZIAIO-SECBINFHSA-N 0 1 240.372 2.013 20 0 BEADMN C(CN1CCOC[C@]12CCOC2)C1CCCC1 ZINC000193724331 387861616 /nfs/dbraw/zinc/86/16/16/387861616.db2.gz RRKMTSSJGIASPQ-CQSZACIVSA-N 0 1 239.359 2.058 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cncnc1C ZINC000527978796 387818221 /nfs/dbraw/zinc/81/82/21/387818221.db2.gz MGKQLNJTYPQYKE-UHTWSYAYSA-N 0 1 235.331 2.003 20 0 BEADMN CC[C@H](COC)N[C@@H](C)c1ncccc1F ZINC000528035804 387818848 /nfs/dbraw/zinc/81/88/48/387818848.db2.gz KOUMCZCVUYIJDA-VHSXEESVSA-N 0 1 226.295 2.296 20 0 BEADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccoc1 ZINC000309547887 387819315 /nfs/dbraw/zinc/81/93/15/387819315.db2.gz HIVGDYZWQFSECE-APPZFPTMSA-N 0 1 237.221 2.244 20 0 BEADMN CCc1ccccc1CC[N@H+]1CCN(C)C[C@H]1C ZINC000444634432 387895640 /nfs/dbraw/zinc/89/56/40/387895640.db2.gz AUKGRUFUBQFJTO-CQSZACIVSA-N 0 1 246.398 2.427 20 0 BEADMN O=C(CCC1CCCC1)N1CCc2nc[nH]c2C1 ZINC000065164078 387876464 /nfs/dbraw/zinc/87/64/64/387876464.db2.gz IVLQATOPAFCDGH-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN C1=C(CN2CCO[C@H](C3CC3)C2)CCC1 ZINC000645861543 387882378 /nfs/dbraw/zinc/88/23/78/387882378.db2.gz RBCJDQFRYBWLAS-ZDUSSCGKSA-N 0 1 207.317 2.208 20 0 BEADMN CCCN1CCC[C@H]1C(=O)N[C@H](CC)C(F)F ZINC000452676649 387886639 /nfs/dbraw/zinc/88/66/39/387886639.db2.gz TWLRVILARVDHAX-ZJUUUORDSA-N 0 1 248.317 2.021 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)N[C@@H](CC)C(F)F ZINC000452676648 387886758 /nfs/dbraw/zinc/88/67/58/387886758.db2.gz TWLRVILARVDHAX-VHSXEESVSA-N 0 1 248.317 2.021 20 0 BEADMN CCc1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000219447958 387905115 /nfs/dbraw/zinc/90/51/15/387905115.db2.gz MDYVBSUKIWOYIL-NSHDSACASA-N 0 1 247.260 2.262 20 0 BEADMN Cc1cc(C)cc(CN(C)[C@H](C)C(=O)N(C)C)c1 ZINC000444695097 387911650 /nfs/dbraw/zinc/91/16/50/387911650.db2.gz ROEZKEMMWAOZLX-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN Cc1cn[nH]c1CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424189455 387911988 /nfs/dbraw/zinc/91/19/88/387911988.db2.gz DQFXZSQAQMZLIN-KGLIPLIRSA-N 0 1 245.301 2.445 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2C2CCC2)nn1C ZINC000424189844 387914099 /nfs/dbraw/zinc/91/40/99/387914099.db2.gz FAUCQLFUIZXRFB-QWHCGFSZSA-N 0 1 219.332 2.007 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)N[C@H](C)C(C)(F)F ZINC000452858123 387931639 /nfs/dbraw/zinc/93/16/39/387931639.db2.gz HGOJIPJMCVLGHO-NXEZZACHSA-N 0 1 248.317 2.021 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](C(C)C)C1 ZINC000444754206 387921850 /nfs/dbraw/zinc/92/18/50/387921850.db2.gz SKZMNAVFRJAQEN-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN COC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424196482 387922195 /nfs/dbraw/zinc/92/21/95/387922195.db2.gz MVPOULBPSPRRQJ-WCFLWFBJSA-N 0 1 223.291 2.248 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@H](C(C)C)C1 ZINC000444754204 387922684 /nfs/dbraw/zinc/92/26/84/387922684.db2.gz SKZMNAVFRJAQEN-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@H]2C2CCC2)o1 ZINC000237940034 387928895 /nfs/dbraw/zinc/92/88/95/387928895.db2.gz IAAYUBUJKPNADZ-LBPRGKRZSA-N 0 1 248.326 2.143 20 0 BEADMN COCc1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000245547147 387958666 /nfs/dbraw/zinc/95/86/66/387958666.db2.gz WDQXGURKLAPIKE-STQMWFEESA-N 0 1 249.354 2.442 20 0 BEADMN COc1ccc(OC)c(CN2CC(C)C2)c1 ZINC000438853494 387958596 /nfs/dbraw/zinc/95/85/96/387958596.db2.gz PJTBFUHDGRYXDX-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CC[C@](C)(O)C1 ZINC000245562613 387961463 /nfs/dbraw/zinc/96/14/63/387961463.db2.gz XZDSLHWUEYWICN-YGRLFVJLSA-N 0 1 246.310 2.346 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@H]3C[C@]32C)n1 ZINC000424304776 387962611 /nfs/dbraw/zinc/96/26/11/387962611.db2.gz BWCUBZRDHJPQLZ-MISXGVKJSA-N 0 1 247.342 2.154 20 0 BEADMN CCOC1(C)CN(C[C@@H](O)C2CCCCC2)C1 ZINC000453024419 387964320 /nfs/dbraw/zinc/96/43/20/387964320.db2.gz SCPMMVUFHNJWPT-CYBMUJFWSA-N 0 1 241.375 2.038 20 0 BEADMN CCOC1(C)CN(CC2(O)CCC(C)CC2)C1 ZINC000453020634 387964475 /nfs/dbraw/zinc/96/44/75/387964475.db2.gz PSLWZDHSMORFMH-UHFFFAOYSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](NCc1nccc(OC)n1)C1CCC1 ZINC000424310254 387964529 /nfs/dbraw/zinc/96/45/29/387964529.db2.gz RVENIJCCWVOXRA-LLVKDONJSA-N 0 1 235.331 2.154 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@H]1CCCCO1 ZINC000453074160 387978976 /nfs/dbraw/zinc/97/89/76/387978976.db2.gz JZIXVSYBMNPYNP-NWDGAFQWSA-N 0 1 237.347 2.123 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000453075156 387980013 /nfs/dbraw/zinc/98/00/13/387980013.db2.gz IHUMOAQQFRKDHV-SDDRHHMPSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@]2(C)C[C@H]2F)n1 ZINC000424342634 387981469 /nfs/dbraw/zinc/98/14/69/387981469.db2.gz YOOQCYFBJTZXDB-RNSXUZJQSA-N 0 1 227.283 2.115 20 0 BEADMN CC[C@H](C)N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453056855 387974768 /nfs/dbraw/zinc/97/47/68/387974768.db2.gz LVRXTHCLZXFWMW-TVQRCGJNSA-N 0 1 248.305 2.421 20 0 BEADMN CO[C@H]1CCN(CCc2c(F)cccc2F)C1 ZINC000645812185 387974718 /nfs/dbraw/zinc/97/47/18/387974718.db2.gz SBWRQOCQAJFCDZ-JTQLQIEISA-N 0 1 241.281 2.228 20 0 BEADMN C[C@H](CF)NCc1ccc2c(c1)ncn2C ZINC000288349732 387978266 /nfs/dbraw/zinc/97/82/66/387978266.db2.gz BXBQOSNKXIRZMT-SECBINFHSA-N 0 1 221.279 2.021 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453111759 387987442 /nfs/dbraw/zinc/98/74/42/387987442.db2.gz BPVMUBYGKKDJSJ-WUHRBBMRSA-N 0 1 249.358 2.436 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](COC)C(C)C ZINC000453114025 387987597 /nfs/dbraw/zinc/98/75/97/387987597.db2.gz FZRXEJODBHQPQW-RYUDHWBXSA-N 0 1 239.363 2.225 20 0 BEADMN C[C@@H]1CCN(CC(=O)c2cccn2C)C[C@H]1C ZINC000245890136 387990579 /nfs/dbraw/zinc/99/05/79/387990579.db2.gz JKYDRTMBRFYYFU-VXGBXAGGSA-N 0 1 234.343 2.186 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@]1(C)CCCO1 ZINC000453127699 387991277 /nfs/dbraw/zinc/99/12/77/387991277.db2.gz LQTSHHIWCXBIHH-WCQYABFASA-N 0 1 237.347 2.123 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCCCC(C)(C)C1 ZINC000446067716 387993555 /nfs/dbraw/zinc/99/35/55/387993555.db2.gz PDNCHJFNEJDCRO-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453142643 387996029 /nfs/dbraw/zinc/99/60/29/387996029.db2.gz LOZKEDMRGOQLCG-XWLWVQCSSA-N 0 1 237.372 2.373 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000453181764 388003595 /nfs/dbraw/zinc/00/35/95/388003595.db2.gz QJLVBTMIYCTGFO-WCFLWFBJSA-N 0 1 249.358 2.121 20 0 BEADMN OCC(F)(F)CN[C@@H](C1CC1)C1CCCC1 ZINC000453190134 388005798 /nfs/dbraw/zinc/00/57/98/388005798.db2.gz CFVZVKIPJCCNBE-LLVKDONJSA-N 0 1 233.302 2.172 20 0 BEADMN CCCN(C)CC(=O)Nc1cscc1C ZINC000439601748 388011810 /nfs/dbraw/zinc/01/18/10/388011810.db2.gz BHNZCKMDYJKQLD-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000261538886 135109215 /nfs/dbraw/zinc/10/92/15/135109215.db2.gz ZRMIDMHSFAZYID-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)c1nnc(CN[C@H]2CCC2(C)C)[nH]1 ZINC000453279858 388033224 /nfs/dbraw/zinc/03/32/24/388033224.db2.gz FGWMGZCVFGYZNF-VIFPVBQESA-N 0 1 222.336 2.206 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000261527325 135150752 /nfs/dbraw/zinc/15/07/52/135150752.db2.gz VNMKEDLWHLIOKM-GHMZBOCLSA-N 0 1 215.337 2.321 20 0 BEADMN C[C@@H](NCC[C@H](C)O)c1c(F)cccc1F ZINC000082994045 388044626 /nfs/dbraw/zinc/04/46/26/388044626.db2.gz YBPKVTDYBNDLNU-DTWKUNHWSA-N 0 1 229.270 2.386 20 0 BEADMN OCCCN(CC1=CCCC1)Cc1ccccn1 ZINC000645896735 388052716 /nfs/dbraw/zinc/05/27/16/388052716.db2.gz ULIIFPLCGNNKOH-UHFFFAOYSA-N 0 1 246.354 2.376 20 0 BEADMN O=c1[n-]nc([C@H]2CCC[N@@H+](CC3=CCCC3)C2)o1 ZINC000645897193 388056283 /nfs/dbraw/zinc/05/62/83/388056283.db2.gz ZATRNIAMPOPMJH-NSHDSACASA-N 0 1 249.314 2.065 20 0 BEADMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccsc1 ZINC000453352121 388056978 /nfs/dbraw/zinc/05/69/78/388056978.db2.gz KWHHJIIMERMQLW-YUSALJHKSA-N 0 1 241.356 2.203 20 0 BEADMN COc1cccc([C@H](C)[N@@H+](C)CCC(=O)[O-])c1 ZINC000083662779 388057892 /nfs/dbraw/zinc/05/78/92/388057892.db2.gz XGFUSMMZURTHCR-JTQLQIEISA-N 0 1 237.299 2.163 20 0 BEADMN CC[C@@H](F)CN1CCC[C@H]1C(=O)N(CC)CC ZINC000440697226 388068527 /nfs/dbraw/zinc/06/85/27/388068527.db2.gz ZHELWGDLIXOYNC-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN CCC[C@]1(COC)CCCN1Cc1ncccn1 ZINC000447401655 388068874 /nfs/dbraw/zinc/06/88/74/388068874.db2.gz BASACMPPCGUQEO-CQSZACIVSA-N 0 1 249.358 2.258 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453397990 388071305 /nfs/dbraw/zinc/07/13/05/388071305.db2.gz ISPOSAFGFYSNBP-UMSGYPCISA-N 0 1 249.358 2.436 20 0 BEADMN CCC[C@H](N[C@H](CC)C(=O)NC)c1ccccn1 ZINC000453424472 388080863 /nfs/dbraw/zinc/08/08/63/388080863.db2.gz YBAGSZLDLAPQLR-YPMHNXCESA-N 0 1 249.358 2.037 20 0 BEADMN FC1(F)CC(CCNCc2csnn2)C1 ZINC000453590000 388087541 /nfs/dbraw/zinc/08/75/41/388087541.db2.gz OATNGADBTIQQPB-UHFFFAOYSA-N 0 1 233.287 2.063 20 0 BEADMN Cc1nnc(NC(=O)C=CC2CCCCC2)[nH]1 ZINC000117788788 388092255 /nfs/dbraw/zinc/09/22/55/388092255.db2.gz IQFWBJUKGLQJTH-BQYQJAHWSA-N 0 1 234.303 2.188 20 0 BEADMN Cc1n[nH]c(NC(=O)C=CC2CCCCC2)n1 ZINC000117788788 388092258 /nfs/dbraw/zinc/09/22/58/388092258.db2.gz IQFWBJUKGLQJTH-BQYQJAHWSA-N 0 1 234.303 2.188 20 0 BEADMN FC(F)n1ccc(CN[C@@H]2CCCSC2)n1 ZINC000336661495 388108299 /nfs/dbraw/zinc/10/82/99/388108299.db2.gz BXQFCDXFLUNMQJ-SECBINFHSA-N 0 1 247.314 2.263 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H](C)Cc2ccoc2)[nH]1 ZINC000449205004 388157088 /nfs/dbraw/zinc/15/70/88/388157088.db2.gz NKSMUCZIWZUFNZ-UWVGGRQHSA-N 0 1 248.330 2.242 20 0 BEADMN CCOCCN(C)Cc1ccc(C)cc1OC ZINC000449223595 388159199 /nfs/dbraw/zinc/15/91/99/388159199.db2.gz GADIKWICAOFIGA-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN FCC(CF)N[C@H]1CC[C@@H]1C1CCC1 ZINC000449379155 388187628 /nfs/dbraw/zinc/18/76/28/388187628.db2.gz GYFWAZWSRYKGLX-MNOVXSKESA-N 0 1 203.276 2.462 20 0 BEADMN CC(C)(C)C[C@@H](O)CNCc1cscn1 ZINC000164143961 388161240 /nfs/dbraw/zinc/16/12/40/388161240.db2.gz LCNAYBSVJIWCRL-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN CCc1nocc1CN1CC(C2CC2)C1 ZINC000646205879 388163991 /nfs/dbraw/zinc/16/39/91/388163991.db2.gz ISMGKHQOFBVFBC-UHFFFAOYSA-N 0 1 206.289 2.079 20 0 BEADMN COc1nccnc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000449281264 388167026 /nfs/dbraw/zinc/16/70/26/388167026.db2.gz CVTFFDGPUBLUHQ-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN FCCNCc1ccc2c(c1)OCCCCO2 ZINC000449303307 388169680 /nfs/dbraw/zinc/16/96/80/388169680.db2.gz XTIDZZUPKNLUFT-UHFFFAOYSA-N 0 1 239.290 2.297 20 0 BEADMN COc1nccnc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000449302964 388169841 /nfs/dbraw/zinc/16/98/41/388169841.db2.gz VRXVWZNLQFUXOF-LLVKDONJSA-N 0 1 249.358 2.496 20 0 BEADMN CCCCN(CCCO)Cc1ccncc1F ZINC000449324379 388172530 /nfs/dbraw/zinc/17/25/30/388172530.db2.gz DXICMQCENPSVDJ-UHFFFAOYSA-N 0 1 240.322 2.205 20 0 BEADMN c1nc(NC2CSC2)cc2c1CCC2 ZINC000646282161 388175997 /nfs/dbraw/zinc/17/59/97/388175997.db2.gz AILWRIJBPLVRLJ-UHFFFAOYSA-N 0 1 206.314 2.098 20 0 BEADMN CC[C@H](N[C@H]1CCCOCC1)C(F)F ZINC000449356541 388180937 /nfs/dbraw/zinc/18/09/37/388180937.db2.gz AFDRPTJDXPYVDH-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@H](N[C@@H](C)[C@@H]1CCOC1)C(F)F ZINC000449361053 388181355 /nfs/dbraw/zinc/18/13/55/388181355.db2.gz KKPCKAVPZBHBQT-YIZRAAEISA-N 0 1 207.264 2.045 20 0 BEADMN COC1(CN[C@@H]2CCn3ccnc32)CCCCC1 ZINC000449370072 388184468 /nfs/dbraw/zinc/18/44/68/388184468.db2.gz ICOPZRPDHNGJFU-GFCCVEGCSA-N 0 1 249.358 2.267 20 0 BEADMN CC[C@H]1C[C@@H](CNC(CF)CF)CCO1 ZINC000449380158 388188673 /nfs/dbraw/zinc/18/86/73/388188673.db2.gz LVOWMHXVTJUYCQ-ONGXEEELSA-N 0 1 221.291 2.089 20 0 BEADMN Cc1cccc(CCN2CCO[C@H](C)C2)c1 ZINC000449008583 388127548 /nfs/dbraw/zinc/12/75/48/388127548.db2.gz KBXSZSWLBZLEDG-CYBMUJFWSA-N 0 1 219.328 2.258 20 0 BEADMN CCn1nnc(C)c1CN(C)CCC(C)(C)C ZINC000646028863 388127787 /nfs/dbraw/zinc/12/77/87/388127787.db2.gz FTRWJJHDXVMYLC-UHFFFAOYSA-N 0 1 238.379 2.474 20 0 BEADMN CCc1nc(CN(C)CCC(C)(C)C)n[nH]1 ZINC000646028658 388127943 /nfs/dbraw/zinc/12/79/43/388127943.db2.gz ONTGXXDEELVBOW-UHFFFAOYSA-N 0 1 224.352 2.235 20 0 BEADMN Cc1cccc(CCN2CCOC[C@@H]2C)c1 ZINC000449013873 388129377 /nfs/dbraw/zinc/12/93/77/388129377.db2.gz MWFZMTXJAXRZJZ-ZDUSSCGKSA-N 0 1 219.328 2.258 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000449027009 388131846 /nfs/dbraw/zinc/13/18/46/388131846.db2.gz HDOYOFDXRYTPQZ-RYUDHWBXSA-N 0 1 249.358 2.496 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nccnc1OC ZINC000449028498 388132656 /nfs/dbraw/zinc/13/26/56/388132656.db2.gz LYPPRUGZFKBQNO-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(C[N@H+]2CCCCC[C@H]2C)n1 ZINC000449037022 388134311 /nfs/dbraw/zinc/13/43/11/388134311.db2.gz WWOOUONLXCLZOZ-LLVKDONJSA-N 0 1 235.331 2.250 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)Cc1c(C)nnn1CC ZINC000449038782 388134467 /nfs/dbraw/zinc/13/44/67/388134467.db2.gz XJZABYYGHMUGCW-LLVKDONJSA-N 0 1 238.379 2.474 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N1CCCN(C)CC1 ZINC000449064179 388138289 /nfs/dbraw/zinc/13/82/89/388138289.db2.gz SSVLSJYABFKUEK-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H](C)CC1CC1 ZINC000449124054 388145677 /nfs/dbraw/zinc/14/56/77/388145677.db2.gz PLDGQDJACOIXNS-SMDDNHRTSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@@H](C)C(C)C ZINC000449132762 388147208 /nfs/dbraw/zinc/14/72/08/388147208.db2.gz WGXZQXZEOUJBKL-OCCSQVGLSA-N 0 1 248.370 2.403 20 0 BEADMN CCn1ncnc1CN1CCCC[C@H]1C1CCC1 ZINC000646140170 388154240 /nfs/dbraw/zinc/15/42/40/388154240.db2.gz XTDPLCCTQWYRJQ-ZDUSSCGKSA-N 0 1 248.374 2.453 20 0 BEADMN CCn1ncnc1CN1CCCC[C@@H]1C1CCC1 ZINC000646140169 388154909 /nfs/dbraw/zinc/15/49/09/388154909.db2.gz XTDPLCCTQWYRJQ-CYBMUJFWSA-N 0 1 248.374 2.453 20 0 BEADMN CC(C)[C@H]1C[C@@H](NC(CF)CF)CCO1 ZINC000449382380 388189236 /nfs/dbraw/zinc/18/92/36/388189236.db2.gz WLQDVGVFZDPDPF-GXSJLCMTSA-N 0 1 221.291 2.087 20 0 BEADMN CC(C)c1nnc(CN[C@H](C)Cc2ccoc2)[nH]1 ZINC000449405968 388196187 /nfs/dbraw/zinc/19/61/87/388196187.db2.gz QFYLBSLSENGSDI-SNVBAGLBSA-N 0 1 248.330 2.242 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456352976 388196213 /nfs/dbraw/zinc/19/62/13/388196213.db2.gz NTTIMTLZINHZLY-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(CC)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456357300 388196233 /nfs/dbraw/zinc/19/62/33/388196233.db2.gz SAMOMVGTYFFIQT-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000456352973 388196375 /nfs/dbraw/zinc/19/63/75/388196375.db2.gz NTTIMTLZINHZLY-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456352975 388196580 /nfs/dbraw/zinc/19/65/80/388196580.db2.gz NTTIMTLZINHZLY-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)CC(C)(C)C ZINC000456349242 388196791 /nfs/dbraw/zinc/19/67/91/388196791.db2.gz LBGADNRAAQWUQW-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)CC1(C)CC1 ZINC000456369778 388197678 /nfs/dbraw/zinc/19/76/78/388197678.db2.gz GAIWHSAQYKTEOW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000488978309 388200319 /nfs/dbraw/zinc/20/03/19/388200319.db2.gz HSIXNTOLOXYNLA-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000489008080 388202153 /nfs/dbraw/zinc/20/21/53/388202153.db2.gz ITROWESIHNNGGH-UTUOFQBUSA-N 0 1 236.363 2.164 20 0 BEADMN CCOc1cccc(CN2CC[C@H]2C2CC2)n1 ZINC000449427447 388202460 /nfs/dbraw/zinc/20/24/60/388202460.db2.gz ODRBPBWHIXXLII-ZDUSSCGKSA-N 0 1 232.327 2.465 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]2C2CC2)oc1C ZINC000449430535 388204075 /nfs/dbraw/zinc/20/40/75/388204075.db2.gz XRXPUONRBDGBTM-ZDUSSCGKSA-N 0 1 249.310 2.359 20 0 BEADMN CC[C@H]1CCC[C@H]1CNCc1csnn1 ZINC000449434619 388205694 /nfs/dbraw/zinc/20/56/94/388205694.db2.gz RWNNNNCTISEKAU-UWVGGRQHSA-N 0 1 225.361 2.454 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNCc1csnn1 ZINC000449434618 388205780 /nfs/dbraw/zinc/20/57/80/388205780.db2.gz RWNNNNCTISEKAU-NXEZZACHSA-N 0 1 225.361 2.454 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC000456528538 388206430 /nfs/dbraw/zinc/20/64/30/388206430.db2.gz KZXMGRJLKUFBEZ-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CCC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489389352 388210898 /nfs/dbraw/zinc/21/08/98/388210898.db2.gz JQPJHFJGABJCFG-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN C[N@@H+](CC(=O)N1CCCCCC1)[C@H]1CC1(C)C ZINC000489434912 388213826 /nfs/dbraw/zinc/21/38/26/388213826.db2.gz WRDBEKJECLWXEH-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CN(CC(=O)N1CCCCCC1)[C@H]1CC1(C)C ZINC000489434912 388213828 /nfs/dbraw/zinc/21/38/28/388213828.db2.gz WRDBEKJECLWXEH-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCCNC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489437653 388213899 /nfs/dbraw/zinc/21/38/99/388213899.db2.gz GHIJAGKDLGGWAW-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCNC(=O)CN(C)[C@@H]1CC1(C)C ZINC000489437653 388213900 /nfs/dbraw/zinc/21/39/00/388213900.db2.gz GHIJAGKDLGGWAW-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H]1CC[C@H]1NCc1nn(C)cc1Cl ZINC000449481915 388215108 /nfs/dbraw/zinc/21/51/08/388215108.db2.gz WQNLZFRQLMXPPH-WCBMZHEXSA-N 0 1 227.739 2.352 20 0 BEADMN C[C@@H]1CN(CC2CCC(C)(C)CC2)CC(=O)N1 ZINC000449526035 388224135 /nfs/dbraw/zinc/22/41/35/388224135.db2.gz VBNIWSOIVKMAKA-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1C ZINC000449536406 388225848 /nfs/dbraw/zinc/22/58/48/388225848.db2.gz IMDHYSDWUQXLOR-DZGCQCFKSA-N 0 1 245.370 2.349 20 0 BEADMN c1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)n[nH]1 ZINC000449539956 388226885 /nfs/dbraw/zinc/22/68/85/388226885.db2.gz MDPHXQYOOJKKAL-STQMWFEESA-N 0 1 217.316 2.030 20 0 BEADMN Cn1ccnc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449539559 388227073 /nfs/dbraw/zinc/22/70/73/388227073.db2.gz LULAQFXSLDNLII-TZMCWYRMSA-N 0 1 231.343 2.041 20 0 BEADMN Cn1ccnc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449539557 388227613 /nfs/dbraw/zinc/22/76/13/388227613.db2.gz LULAQFXSLDNLII-JSGCOSHPSA-N 0 1 231.343 2.041 20 0 BEADMN CC(C)OC[C@@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449569666 388236130 /nfs/dbraw/zinc/23/61/30/388236130.db2.gz HYUOSVGOCBCCKU-WOPDTQHZSA-N 0 1 237.347 2.292 20 0 BEADMN C[N@@H+](Cc1cccnc1)[C@@H](CO)CC(C)(C)C ZINC000449581532 388237468 /nfs/dbraw/zinc/23/74/68/388237468.db2.gz ARIXUPGZCYWEAU-CYBMUJFWSA-N 0 1 236.359 2.311 20 0 BEADMN CCc1ncc(CN[C@@H](COC)CC(C)C)o1 ZINC000449610565 388242093 /nfs/dbraw/zinc/24/20/93/388242093.db2.gz RIJFWEGUXKGACB-LLVKDONJSA-N 0 1 240.347 2.388 20 0 BEADMN CCCCCOC1CN(CC[C@@H]2CCOC2)C1 ZINC000459590328 388246492 /nfs/dbraw/zinc/24/64/92/388246492.db2.gz IVSXEIALOXQERN-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN CO[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C[C@@H]1C ZINC000451563995 388281788 /nfs/dbraw/zinc/28/17/88/388281788.db2.gz KJLJFTOPPLLBLV-ZMLRMANQSA-N 0 1 238.331 2.401 20 0 BEADMN C[C@@H](CN1CC(=O)N[C@@H](C)C1)C1CCCCC1 ZINC000451643449 388287205 /nfs/dbraw/zinc/28/72/05/388287205.db2.gz UBPUUAYTIPCWNN-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CN1CC(=O)N[C@H](C)C1)C1CCCCC1 ZINC000451643450 388287225 /nfs/dbraw/zinc/28/72/25/388287225.db2.gz UBPUUAYTIPCWNN-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc([C@H](C)NC(=O)CCCC(C)C)n[nH]1 ZINC000451749059 388293240 /nfs/dbraw/zinc/29/32/40/388293240.db2.gz OVSKWOOBWIEGHV-VIFPVBQESA-N 0 1 238.335 2.117 20 0 BEADMN CCc1noc(C)c1CN[C@H]1COCC1(C)C ZINC000451814817 388298393 /nfs/dbraw/zinc/29/83/93/388298393.db2.gz XXTVAYKKTJKEFF-LBPRGKRZSA-N 0 1 238.331 2.060 20 0 BEADMN COCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451835687 388299760 /nfs/dbraw/zinc/29/97/60/388299760.db2.gz KFKZVRBPIBPZPC-GFCCVEGCSA-N 0 1 221.300 2.453 20 0 BEADMN OCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451833473 388299980 /nfs/dbraw/zinc/29/99/80/388299980.db2.gz HXMGCDFEKMZNBO-LBPRGKRZSA-N 0 1 221.300 2.189 20 0 BEADMN O=C(C=CC1CCCCC1)NCc1ncc[nH]1 ZINC000491860093 388325098 /nfs/dbraw/zinc/32/50/98/388325098.db2.gz QPUNBJAZRTVBBR-SREVYHEPSA-N 0 1 233.315 2.162 20 0 BEADMN CC(C)CCCC(=O)NCCN1CC=CCC1 ZINC000451355260 388264087 /nfs/dbraw/zinc/26/40/87/388264087.db2.gz UODDWCPZAKVLPS-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCn1c(C)nnc1CN[C@@H]1CCC12CCCC2 ZINC000451455485 388274637 /nfs/dbraw/zinc/27/46/37/388274637.db2.gz JVTWSSPMICZWBD-GFCCVEGCSA-N 0 1 248.374 2.419 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)/C=C/C(C)(C)C)CCN1C ZINC000492366760 388342509 /nfs/dbraw/zinc/34/25/09/388342509.db2.gz VLVMZCYBEXNHPT-LASXONHFSA-N 0 1 238.375 2.140 20 0 BEADMN Cc1sccc1CNC[C@@H](O)C(F)(F)F ZINC000293649271 388356111 /nfs/dbraw/zinc/35/61/11/388356111.db2.gz SICPEVIZULKTJX-MRVPVSSYSA-N 0 1 239.262 2.069 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cc(C)on1)C1CC1 ZINC000293691879 388359779 /nfs/dbraw/zinc/35/97/79/388359779.db2.gz LGWRVCDNZWFWLT-JOYOIKCWSA-N 0 1 224.304 2.059 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@H]1CCCC[C@H]1C1CC1 ZINC000648791598 388360162 /nfs/dbraw/zinc/36/01/62/388360162.db2.gz FNSLPOVWGNGOPR-STQMWFEESA-N 0 1 247.342 2.242 20 0 BEADMN COC[C@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000234841733 388360863 /nfs/dbraw/zinc/36/08/63/388360863.db2.gz BPWUEDABRBNFND-APPZFPTMSA-N 0 1 249.763 2.059 20 0 BEADMN CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000642669164 388361831 /nfs/dbraw/zinc/36/18/31/388361831.db2.gz IMRMVSMAMJNLGP-UHFFFAOYSA-N 0 1 245.282 2.294 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H](O)C2(C)C)sc1C ZINC000163426948 388361995 /nfs/dbraw/zinc/36/19/95/388361995.db2.gz LXEKEVYDLMZDMX-ZJUUUORDSA-N 0 1 240.372 2.009 20 0 BEADMN CC[C@H](N[C@H](C)c1cscn1)C(C)(C)O ZINC000294892552 388405305 /nfs/dbraw/zinc/40/53/05/388405305.db2.gz FCNNYLCSFWWSAH-SCZZXKLOSA-N 0 1 228.361 2.343 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cscn1 ZINC000290212954 388375342 /nfs/dbraw/zinc/37/53/42/388375342.db2.gz QBACFZSHFHMWFA-HRDYMLBCSA-N 0 1 214.334 2.217 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2ccco2)[C@H]1SC ZINC000291408529 388376036 /nfs/dbraw/zinc/37/60/36/388376036.db2.gz GBLJWBUGQATZED-QJPTWQEYSA-N 0 1 241.356 2.278 20 0 BEADMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCCCC2)C1 ZINC000646560973 388381932 /nfs/dbraw/zinc/38/19/32/388381932.db2.gz HKROBGZBXBHKPM-PWSUYJOCSA-N 0 1 247.342 2.088 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCCCC2)C1 ZINC000646560972 388382428 /nfs/dbraw/zinc/38/24/28/388382428.db2.gz HKROBGZBXBHKPM-JQWIXIFHSA-N 0 1 247.342 2.088 20 0 BEADMN FC(F)(F)CCSCCc1c[nH]nn1 ZINC000519783506 256658545 /nfs/dbraw/zinc/65/85/45/256658545.db2.gz XDINUTNHCYEKGK-UHFFFAOYSA-N 0 1 225.239 2.033 20 0 BEADMN C[C@]1(NCc2cccc(O)c2Cl)CCOC1 ZINC000293370615 388388419 /nfs/dbraw/zinc/38/84/19/388388419.db2.gz VHQQWFQLSQWBHK-LBPRGKRZSA-N 0 1 241.718 2.314 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000516608483 388389873 /nfs/dbraw/zinc/38/98/73/388389873.db2.gz PHFZHDNAAXKWBL-APPZFPTMSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000516608483 388389875 /nfs/dbraw/zinc/38/98/75/388389875.db2.gz PHFZHDNAAXKWBL-APPZFPTMSA-N 0 1 234.303 2.057 20 0 BEADMN Cc1csc(CN[C@@H]2CCOC2(C)C)n1 ZINC000293574455 388390806 /nfs/dbraw/zinc/39/08/06/388390806.db2.gz DQJARVLZLOGFGC-SECBINFHSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H]1CC[C@@]2(CC[N@H+]([C@H](C(=O)[O-])C3CC3)C2)C1 ZINC000572967748 388399951 /nfs/dbraw/zinc/39/99/51/388399951.db2.gz SQMXLVRZIBNMBF-SCDSUCTJSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1noc(C)c1CCN1CCS[C@H](C)C1 ZINC000165481288 388402106 /nfs/dbraw/zinc/40/21/06/388402106.db2.gz IVJZXVGRCNMWIS-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN COc1nccc(CN[C@@H](C)c2cccs2)n1 ZINC000294690988 388403625 /nfs/dbraw/zinc/40/36/25/388403625.db2.gz FXFOPNBYBSKUJZ-VIFPVBQESA-N 0 1 249.339 2.398 20 0 BEADMN CN1CCN(C(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC000492280387 388340286 /nfs/dbraw/zinc/34/02/86/388340286.db2.gz WNFWGCPRCDIRIP-BQYQJAHWSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cccc2c1OCO2 ZINC000525997424 388452631 /nfs/dbraw/zinc/45/26/31/388452631.db2.gz RENHBFKKLNSJHW-NXEZZACHSA-N 0 1 219.284 2.398 20 0 BEADMN COC[C@@H](CC(C)C)NCc1ncccc1F ZINC000525997934 388453402 /nfs/dbraw/zinc/45/34/02/388453402.db2.gz CHTADFWPQRTIOK-LLVKDONJSA-N 0 1 240.322 2.371 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCCC[C@@H]1C1CCC1 ZINC000649197974 388455490 /nfs/dbraw/zinc/45/54/90/388455490.db2.gz YGILNWWKRBCKJI-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN Cc1nocc1CNCCC(F)(F)F ZINC000339291957 388481037 /nfs/dbraw/zinc/48/10/37/388481037.db2.gz XTYGVAGFJSWOTG-UHFFFAOYSA-N 0 1 208.183 2.025 20 0 BEADMN Cc1cscc1NC(=O)c1cn[nH]c1C ZINC000336577300 388458481 /nfs/dbraw/zinc/45/84/81/388458481.db2.gz JGRDIDNILIFSHN-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ncn(C)n1 ZINC000336626445 388458858 /nfs/dbraw/zinc/45/88/58/388458858.db2.gz AYLTVFOXQYBPJB-GHMZBOCLSA-N 0 1 236.363 2.435 20 0 BEADMN Cc1cc(=O)n([C@H](C)c2ccccc2)[nH]1 ZINC000034502117 388469499 /nfs/dbraw/zinc/46/94/99/388469499.db2.gz DBGAKKRCSSMUTI-SNVBAGLBSA-N 0 1 202.257 2.356 20 0 BEADMN CCNC(=O)CN(C)CC/C=C/c1ccccc1 ZINC000649250486 388469682 /nfs/dbraw/zinc/46/96/82/388469682.db2.gz GKGBMPRXRWWEQO-YRNVUSSQSA-N 0 1 246.354 2.158 20 0 BEADMN FC(F)O[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000337305404 388472474 /nfs/dbraw/zinc/47/24/74/388472474.db2.gz RGPXJTUCDSPTJY-RKDXNWHRSA-N 0 1 248.298 2.393 20 0 BEADMN COc1c(CNCc2ccccc2)c(C)nn1C ZINC000134093465 388474052 /nfs/dbraw/zinc/47/40/52/388474052.db2.gz LDSUANJMMTVFIO-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN c1nc(CNCC[C@H]2CCCCO2)cs1 ZINC000134672823 388478120 /nfs/dbraw/zinc/47/81/20/388478120.db2.gz FSODALCDKKHULF-LLVKDONJSA-N 0 1 226.345 2.192 20 0 BEADMN Cn1ccc(CNCC2=CCCCC2)n1 ZINC000295077114 388408246 /nfs/dbraw/zinc/40/82/46/388408246.db2.gz HVGCFUFWQYGDIP-UHFFFAOYSA-N 0 1 205.305 2.010 20 0 BEADMN C[C@H]1[C@@H](O)CCCN1Cc1ccc(F)c(F)c1 ZINC000295131224 388409087 /nfs/dbraw/zinc/40/90/87/388409087.db2.gz YKWRNRBOJOEDFO-ZANVPECISA-N 0 1 241.281 2.310 20 0 BEADMN CCC(CC)[C@H](O)CNCc1ncc(C)s1 ZINC000295790109 388414400 /nfs/dbraw/zinc/41/44/00/388414400.db2.gz RZYJNFGSXQGTGR-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000173243420 388415890 /nfs/dbraw/zinc/41/58/90/388415890.db2.gz RPZGRKVOEIGDHI-CQSZACIVSA-N 0 1 249.358 2.381 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)CC2(CCC2)O1 ZINC000573114587 388420382 /nfs/dbraw/zinc/42/03/82/388420382.db2.gz JVLFIQNSBNSLGA-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1CN(CCOC(C)(C)C)CC2(CCC2)O1 ZINC000573114588 388420761 /nfs/dbraw/zinc/42/07/61/388420761.db2.gz JVLFIQNSBNSLGA-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](O)CNCc1nc(C(C)C)cs1 ZINC000573111451 388421218 /nfs/dbraw/zinc/42/12/18/388421218.db2.gz SBYKTIYXHUZXNQ-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN Cc1nc(CN2CCC[C@H](O)[C@@H]2C)sc1C ZINC000296451175 388424361 /nfs/dbraw/zinc/42/43/61/388424361.db2.gz WZQDCHRLHHOICJ-ONGXEEELSA-N 0 1 240.372 2.105 20 0 BEADMN C[C@@H](CC(C)(C)O)N[C@@H](C)c1cscn1 ZINC000296549592 388424383 /nfs/dbraw/zinc/42/43/83/388424383.db2.gz RKXYOKLNIGTXND-IUCAKERBSA-N 0 1 228.361 2.343 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000166409958 388426390 /nfs/dbraw/zinc/42/63/90/388426390.db2.gz CTYQTAJBCNFXIQ-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN c1nc(CN2CCS[C@H]3CCCC[C@H]32)c[nH]1 ZINC000245703910 388429147 /nfs/dbraw/zinc/42/91/47/388429147.db2.gz DQRXUHPVISTNMG-NEPJUHHUSA-N 0 1 237.372 2.270 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000393508873 388432004 /nfs/dbraw/zinc/43/20/04/388432004.db2.gz LWULEJWUEDUKES-YWVKMMECSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000246099203 388437998 /nfs/dbraw/zinc/43/79/98/388437998.db2.gz PHBSJIRHNNXUPA-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000246099215 388438106 /nfs/dbraw/zinc/43/81/06/388438106.db2.gz PHBSJIRHNNXUPA-IQJOONFLSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@@H]1CN(Cc2cc(CO)ccc2F)[C@@H]1C ZINC000528513245 388538465 /nfs/dbraw/zinc/53/84/65/388538465.db2.gz RCUUCLBDUBPQTC-NXEZZACHSA-N 0 1 223.291 2.158 20 0 BEADMN C/C(Cl)=C\C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000528523540 388543020 /nfs/dbraw/zinc/54/30/20/388543020.db2.gz AUVKKSQDPBRVAM-XMJCYBDTSA-N 0 1 217.740 2.079 20 0 BEADMN CCCC[C@H](COC)NCc1nc(C)c(C)[nH]1 ZINC000520839799 388543411 /nfs/dbraw/zinc/54/34/11/388543411.db2.gz SUQPYJUGYFACJY-GFCCVEGCSA-N 0 1 239.363 2.321 20 0 BEADMN CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000517240991 388544893 /nfs/dbraw/zinc/54/48/93/388544893.db2.gz ODTKMGWCQXOGFO-YPMHNXCESA-N 0 1 248.326 2.329 20 0 BEADMN CCC[C@@H](NCc1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397603125 388483486 /nfs/dbraw/zinc/48/34/86/388483486.db2.gz GOAJFGMCPSUJJE-WDEREUQCSA-N 0 1 236.363 2.120 20 0 BEADMN CO[C@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000339527629 388484677 /nfs/dbraw/zinc/48/46/77/388484677.db2.gz PRUCOYYPAVBCRW-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC000135339767 388492701 /nfs/dbraw/zinc/49/27/01/388492701.db2.gz VYMFCIXSISILOE-NEPJUHHUSA-N 0 1 236.363 2.216 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN2CCn3nncc3C2)C1 ZINC000517390700 388549150 /nfs/dbraw/zinc/54/91/50/388549150.db2.gz JKKFBHIZEKJWOE-WCQYABFASA-N 0 1 246.358 2.086 20 0 BEADMN COCC(C)(C)NCc1ncccc1Cl ZINC000528373450 388503496 /nfs/dbraw/zinc/50/34/96/388503496.db2.gz RUUSFOPHJAWODO-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000344240353 388504467 /nfs/dbraw/zinc/50/44/67/388504467.db2.gz CSWTUMXGDDJBHE-PWSUYJOCSA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@](C)(CC)C1 ZINC000344241754 388505750 /nfs/dbraw/zinc/50/57/50/388505750.db2.gz CSWTUMXGDDJBHE-ZYHUDNBSSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@]2(C)CCCO2)cs1 ZINC000378800024 388508845 /nfs/dbraw/zinc/50/88/45/388508845.db2.gz TZMRTZIGBIZIGW-JOYOIKCWSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H]1CCCCN1C(=O)CN1[C@H](C)C[C@@H]1C ZINC000548096716 388510395 /nfs/dbraw/zinc/51/03/95/388510395.db2.gz KYAAIEPFYVVVGY-XQQFMLRXSA-N 0 1 238.375 2.260 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000548096193 388511150 /nfs/dbraw/zinc/51/11/50/388511150.db2.gz DOFMJXQQBZMLJS-OUAUKWLOSA-N 0 1 226.364 2.162 20 0 BEADMN C/C(Cl)=C/CN1CC[C@H](n2cccn2)C1 ZINC000528511467 388512001 /nfs/dbraw/zinc/51/20/01/388512001.db2.gz USIJICMFYDDOIQ-CGXZDELUSA-N 0 1 225.723 2.273 20 0 BEADMN CCOc1cccc(CN2[C@@H](C)C[C@@H]2C)n1 ZINC000548098157 388512320 /nfs/dbraw/zinc/51/23/20/388512320.db2.gz VHEKSSLMDMLODT-QWRGUYRKSA-N 0 1 220.316 2.463 20 0 BEADMN C[C@@H]1C[C@H](NC[C@H]2CCCCO2)c2nccn21 ZINC000345355627 388513362 /nfs/dbraw/zinc/51/33/62/388513362.db2.gz SSIWPGCVRGMMLG-UTUOFQBUSA-N 0 1 235.331 2.048 20 0 BEADMN CO[C@](C)(CN[C@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000345362976 388513468 /nfs/dbraw/zinc/51/34/68/388513468.db2.gz VXLBXGORSPXALR-SCDSUCTJSA-N 0 1 249.358 2.294 20 0 BEADMN CC(C)n1nccc1C[N@@H+](C)C1CCOCC1 ZINC000516786930 388518384 /nfs/dbraw/zinc/51/83/84/388518384.db2.gz RSAQBTNNDQGWLW-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CC1CC(C)(C)C1 ZINC000528388557 388518968 /nfs/dbraw/zinc/51/89/68/388518968.db2.gz NZGQHCIGVACNKM-GLKRBJQHSA-N 0 1 243.416 2.264 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1nc2ccccc2o1 ZINC000516875222 388522396 /nfs/dbraw/zinc/52/23/96/388522396.db2.gz IOGZREWSMFLZJS-VXGBXAGGSA-N 0 1 246.310 2.077 20 0 BEADMN CCC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CCC1 ZINC000520836206 388525285 /nfs/dbraw/zinc/52/52/85/388525285.db2.gz JACXSZDBWXWOTN-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)CN1CCC(C)CC1 ZINC000136260839 388529156 /nfs/dbraw/zinc/52/91/56/388529156.db2.gz OADXLZKWPIKNKL-OLZOCXBDSA-N 0 1 238.375 2.023 20 0 BEADMN C/C(Cl)=C/CN1CCc2cc[nH]c(=O)c2C1 ZINC000528471426 388531568 /nfs/dbraw/zinc/53/15/68/388531568.db2.gz AQADPXLPNUDAKG-OQFOIZHKSA-N 0 1 238.718 2.288 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000517030125 388533553 /nfs/dbraw/zinc/53/35/53/388533553.db2.gz NXCKBVFLUHZELA-HBNTYKKESA-N 0 1 213.321 2.075 20 0 BEADMN CN1CCN(C(=O)CCC2CCC2)CC1(C)C ZINC000549727265 388589363 /nfs/dbraw/zinc/58/93/63/388589363.db2.gz ALGXGFJZBBKNKQ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1nocc1CNCCOCC1CCC1 ZINC000549804263 388591681 /nfs/dbraw/zinc/59/16/81/388591681.db2.gz PDWGOUNDHONWEX-UHFFFAOYSA-N 0 1 238.331 2.143 20 0 BEADMN Cc1ccoc1CN1CC[C@H](OC(F)F)C1 ZINC000549850048 388593694 /nfs/dbraw/zinc/59/36/94/388593694.db2.gz JHCDQFPATYIHMF-VIFPVBQESA-N 0 1 231.242 2.402 20 0 BEADMN C[C@H]1CCN(CN2CC(C)(C)OC2=O)C[C@H]1C ZINC000245744900 388602570 /nfs/dbraw/zinc/60/25/70/388602570.db2.gz MPRGXZNCOPYKDU-WDEREUQCSA-N 0 1 240.347 2.153 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOCC2(C)C)O1 ZINC000186757095 388603821 /nfs/dbraw/zinc/60/38/21/388603821.db2.gz OZKKILWZDYCWMP-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN O=C(NC1(C2CC2)CC1)c1ccc2cncn2c1 ZINC000550273029 388604304 /nfs/dbraw/zinc/60/43/04/388604304.db2.gz ZOFQLDAMVMTAJK-UHFFFAOYSA-N 0 1 241.294 2.007 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(F)cc2)n[nH]1 ZINC000082324262 388613347 /nfs/dbraw/zinc/61/33/47/388613347.db2.gz ANDTVPOXVLCBMW-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)[C@H]1C ZINC000361344653 388560886 /nfs/dbraw/zinc/56/08/86/388560886.db2.gz FQTYMKQFTYEQMJ-MXWKQRLJSA-N 0 1 227.348 2.447 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C2CC2)C1 ZINC000362415317 388561649 /nfs/dbraw/zinc/56/16/49/388561649.db2.gz ZLKUVCDVWCWAFU-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H](C2CC2)C1 ZINC000362415316 388562253 /nfs/dbraw/zinc/56/22/53/388562253.db2.gz ZLKUVCDVWCWAFU-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@H]1CC(F)(F)CC[N@H+]1CCc1ccnn1C ZINC000528774741 388571248 /nfs/dbraw/zinc/57/12/48/388571248.db2.gz WDBXNAGUJQMIMG-JTQLQIEISA-N 0 1 243.301 2.082 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@H](C)C1 ZINC000217985255 388574646 /nfs/dbraw/zinc/57/46/46/388574646.db2.gz GQKNYKFMVWIRTO-RKDXNWHRSA-N 0 1 223.272 2.381 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)c2ncccc2F)n[nH]1 ZINC000528827442 388576659 /nfs/dbraw/zinc/57/66/59/388576659.db2.gz VCMQNURNNFZWDJ-YUMQZZPRSA-N 0 1 249.293 2.059 20 0 BEADMN C[C@H](NC[C@@H]1CCCCO1)c1ncccc1F ZINC000528825953 388577059 /nfs/dbraw/zinc/57/70/59/388577059.db2.gz ROMJNWDJEWXCIJ-QWRGUYRKSA-N 0 1 238.306 2.440 20 0 BEADMN CC/C=C/CCN1CCCC[C@@H]1C(=O)OC ZINC000184390309 388577387 /nfs/dbraw/zinc/57/73/87/388577387.db2.gz MIWHNHPIEKUEKU-ZYOFXKKJSA-N 0 1 225.332 2.370 20 0 BEADMN CC/C=C/CC[N@@H+](C)CCNC(=O)C(C)C ZINC000184706828 388580583 /nfs/dbraw/zinc/58/05/83/388580583.db2.gz WNHDQEMUZGRALQ-VOTSOKGWSA-N 0 1 226.364 2.047 20 0 BEADMN CC1(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])CCC1 ZINC000530164956 388618410 /nfs/dbraw/zinc/61/84/10/388618410.db2.gz CJVXFHJQAPFBLX-GFCCVEGCSA-N 0 1 249.310 2.454 20 0 BEADMN CCC1(CC)C[N@@H+](CC(C)C)CC[S@]1=O ZINC000185238210 388585244 /nfs/dbraw/zinc/58/52/44/388585244.db2.gz FUCDJFDDBZMYCA-OAHLLOKOSA-N 0 1 231.405 2.266 20 0 BEADMN CCC1(CC)CN(CC(C)C)CC[S@]1=O ZINC000185238210 388585248 /nfs/dbraw/zinc/58/52/48/388585248.db2.gz FUCDJFDDBZMYCA-OAHLLOKOSA-N 0 1 231.405 2.266 20 0 BEADMN C[C@@H](NCc1cncn1C)c1cccc(F)c1 ZINC000112337382 388665744 /nfs/dbraw/zinc/66/57/44/388665744.db2.gz VETREKRCRYRSRP-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN CCn1cc(CN(C)CC[C@@H](C)F)cn1 ZINC000552080331 388667042 /nfs/dbraw/zinc/66/70/42/388667042.db2.gz KTAFRNYDBFRFPE-SNVBAGLBSA-N 0 1 213.300 2.083 20 0 BEADMN CCC[C@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000247969425 388671724 /nfs/dbraw/zinc/67/17/24/388671724.db2.gz FHNVYECIQIQQQL-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000552138570 388673534 /nfs/dbraw/zinc/67/35/34/388673534.db2.gz XPNTYDRCDFKIMZ-LBPRGKRZSA-N 0 1 232.327 2.409 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000552138570 388673536 /nfs/dbraw/zinc/67/35/36/388673536.db2.gz XPNTYDRCDFKIMZ-LBPRGKRZSA-N 0 1 232.327 2.409 20 0 BEADMN CC[C@@H]1CCN(CC(=O)Nc2ccccc2)C1 ZINC000125588098 388673546 /nfs/dbraw/zinc/67/35/46/388673546.db2.gz JMANQQOZNWTOGF-GFCCVEGCSA-N 0 1 232.327 2.357 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC1=CCCCC1 ZINC000522015571 388674884 /nfs/dbraw/zinc/67/48/84/388674884.db2.gz XMARBAUDWUVMPO-SNVBAGLBSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000522050992 388676458 /nfs/dbraw/zinc/67/64/58/388676458.db2.gz ZWXDYYDJAUKZNV-SNVBAGLBSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1nnc([C@H](C)N2CCCCCC2)o1 ZINC000077675861 388677174 /nfs/dbraw/zinc/67/71/74/388677174.db2.gz SOBCINNUTIDEGR-VIFPVBQESA-N 0 1 209.293 2.315 20 0 BEADMN Cc1c(NCc2ccc3nc[nH]c3c2)cnn1C ZINC000538126871 388678134 /nfs/dbraw/zinc/67/81/34/388678134.db2.gz RJMPGBKNRGCWNT-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CC1CCC1 ZINC000530167118 388618906 /nfs/dbraw/zinc/61/89/06/388618906.db2.gz UFSFHXURQCNNRZ-LBPRGKRZSA-N 0 1 235.283 2.064 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530167549 388619112 /nfs/dbraw/zinc/61/91/12/388619112.db2.gz CJASOAUUPNFUJY-BXKDBHETSA-N 0 1 237.299 2.310 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000530166743 388619539 /nfs/dbraw/zinc/61/95/39/388619539.db2.gz UBEOHSSHSIMFRZ-VIFPVBQESA-N 0 1 225.332 2.360 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCOC2)o1 ZINC000246141850 388619877 /nfs/dbraw/zinc/61/98/77/388619877.db2.gz BDOOGNXWZPANSW-JFGNBEQYSA-N 0 1 221.300 2.282 20 0 BEADMN CC[C@@H](F)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530172769 388620152 /nfs/dbraw/zinc/62/01/52/388620152.db2.gz AHKIVHQRDQLCMQ-LMLFDSFASA-N 0 1 231.311 2.308 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@]1(C)CCCO1 ZINC000551086408 388621569 /nfs/dbraw/zinc/62/15/69/388621569.db2.gz SDWOZUQDRVPGGH-GWCFXTLKSA-N 0 1 238.306 2.268 20 0 BEADMN CC[C@H]1CN(CCOCC(F)F)CCS1 ZINC000189480546 388635235 /nfs/dbraw/zinc/63/52/35/388635235.db2.gz VRXBIFCZMQZHTG-VIFPVBQESA-N 0 1 239.331 2.096 20 0 BEADMN COC[C@H](N[C@H](C)c1nccs1)C(C)C ZINC000083398053 388638624 /nfs/dbraw/zinc/63/86/24/388638624.db2.gz XZXZQHCUEMODMC-ZJUUUORDSA-N 0 1 228.361 2.465 20 0 BEADMN CC(C)[C@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000328444449 388643976 /nfs/dbraw/zinc/64/39/76/388643976.db2.gz IBHIQTQGPDRINB-JTQLQIEISA-N 0 1 243.734 2.152 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854712 388648321 /nfs/dbraw/zinc/64/83/21/388648321.db2.gz HXGXGEYKFSVKCG-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000223280246 388649793 /nfs/dbraw/zinc/64/97/93/388649793.db2.gz CUUYTYUKGPYOGO-VGMNWLOBSA-N 0 1 214.334 2.217 20 0 BEADMN Cc1nc(NC(=O)c2c[nH]nc2C2CC2)cs1 ZINC000530406372 388653772 /nfs/dbraw/zinc/65/37/72/388653772.db2.gz XBRGSPMVSKJQOU-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CC[C@H]1CCCN(CN2CC(C)(C)OC2=O)C1 ZINC000123740568 388656268 /nfs/dbraw/zinc/65/62/68/388656268.db2.gz NUEHDRLIIXQNKC-NSHDSACASA-N 0 1 240.347 2.297 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@H](C)CC)C1CC1 ZINC000190843750 388656715 /nfs/dbraw/zinc/65/67/15/388656715.db2.gz DLWIGEUDMYQDCJ-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)N(CCO)Cc1cnc(C2CC2)s1 ZINC000128054941 388737878 /nfs/dbraw/zinc/73/78/78/388737878.db2.gz WPFUUZXZWBVZHY-UHFFFAOYSA-N 0 1 240.372 2.223 20 0 BEADMN CCN(CC)c1ncc(CN[C@H](C)CF)s1 ZINC000288494937 388738396 /nfs/dbraw/zinc/73/83/96/388738396.db2.gz RJBQWXXXGVOMCV-SECBINFHSA-N 0 1 245.367 2.437 20 0 BEADMN COC[C@H]1CN(Cc2cccc(C)c2)C[C@H](C)O1 ZINC000251516064 388748073 /nfs/dbraw/zinc/74/80/73/388748073.db2.gz CJUPOAFVEJPOJB-DZGCQCFKSA-N 0 1 249.354 2.231 20 0 BEADMN CCc1cnc(CN[C@@H](C)C2CCOCC2)o1 ZINC000539360220 388755485 /nfs/dbraw/zinc/75/54/85/388755485.db2.gz REWVMRXCRGSPDF-JTQLQIEISA-N 0 1 238.331 2.142 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H]2CCC[C@@H](C)C2)[nH]n1 ZINC000126053839 388687162 /nfs/dbraw/zinc/68/71/62/388687162.db2.gz UVYMUXFJQZMIDS-ZYHUDNBSSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@@H]1CCCN(Cc2n[nH]c(C3CC3)n2)[C@H]1C ZINC000248617758 388687182 /nfs/dbraw/zinc/68/71/82/388687182.db2.gz ZLOUHUZCUGJSPB-ZJUUUORDSA-N 0 1 234.347 2.303 20 0 BEADMN FC(F)(F)Cn1ccnc1CN[C@@H]1CC12CC2 ZINC000424182082 388694831 /nfs/dbraw/zinc/69/48/31/388694831.db2.gz FUCSTVBOALVXLM-MRVPVSSYSA-N 0 1 245.248 2.088 20 0 BEADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)NCC ZINC000126590129 388698502 /nfs/dbraw/zinc/69/85/02/388698502.db2.gz NAHITZPTNCVJGF-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)NCC ZINC000126589425 388698603 /nfs/dbraw/zinc/69/86/03/388698603.db2.gz NAHITZPTNCVJGF-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CN(CCCC2CCCC2)C[C@@H](CO)O1 ZINC000248959325 388700938 /nfs/dbraw/zinc/70/09/38/388700938.db2.gz GEMNHMJYWNUYEM-JSGCOSHPSA-N 0 1 241.375 2.038 20 0 BEADMN CCCN(Cc1cccnc1OC)C1CC1 ZINC000193333788 388701072 /nfs/dbraw/zinc/70/10/72/388701072.db2.gz FGBKUBUMUSNXBY-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000564207123 388702840 /nfs/dbraw/zinc/70/28/40/388702840.db2.gz QQWMKKGPKPEISQ-NWDGAFQWSA-N 0 1 239.388 2.448 20 0 BEADMN C[C@H](NCc1ccnc(N)c1)c1cccc(O)c1 ZINC000193495426 388706862 /nfs/dbraw/zinc/70/68/62/388706862.db2.gz LFOGHFRGIQZBCT-JTQLQIEISA-N 0 1 243.310 2.220 20 0 BEADMN CC(C)CN(C(=O)CN1CCCCC1)C1CC1 ZINC000193507983 388707598 /nfs/dbraw/zinc/70/75/98/388707598.db2.gz CYIVVWKBYYQDRR-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H]([C@@H](C)O)C2)o1 ZINC000552437793 388707820 /nfs/dbraw/zinc/70/78/20/388707820.db2.gz VNUJCCFMEMHJNB-QJPTWQEYSA-N 0 1 238.331 2.137 20 0 BEADMN CC(C)[C@@H]1C[N@@H+](CC2(F)CC2)CCCO1 ZINC000552444101 388709503 /nfs/dbraw/zinc/70/95/03/388709503.db2.gz RFDSZYBCGOPDOB-NSHDSACASA-N 0 1 215.312 2.235 20 0 BEADMN Cc1ccccc1[C@H](C)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000249271524 388714177 /nfs/dbraw/zinc/71/41/77/388714177.db2.gz JFQHEJJOCICYBI-HZSPNIEDSA-N 0 1 249.354 2.138 20 0 BEADMN COCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127279407 388720695 /nfs/dbraw/zinc/72/06/95/388720695.db2.gz YLTKNPQBVBOEQO-NSHDSACASA-N 0 1 208.305 2.111 20 0 BEADMN CC[N@@H+](CC(=O)NC(C)(C)CC)C(C)C ZINC000194088450 388722438 /nfs/dbraw/zinc/72/24/38/388722438.db2.gz PBNNKDLKXYNWFU-UHFFFAOYSA-N 0 1 214.353 2.022 20 0 BEADMN CCCCCNC(=O)C[N@@H+](CC)C(C)C ZINC000194087536 388722499 /nfs/dbraw/zinc/72/24/99/388722499.db2.gz BDDNAGOEXLMYTE-UHFFFAOYSA-N 0 1 214.353 2.023 20 0 BEADMN C[C@@H](NCc1ccsc1)c1cn[nH]c1 ZINC000229884175 388803178 /nfs/dbraw/zinc/80/31/78/388803178.db2.gz NOXZRQDTJZXEAB-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN COC[C@@H]1CN([C@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000251997948 388758706 /nfs/dbraw/zinc/75/87/06/388758706.db2.gz WJGSVUHJPUFHHE-NFAWXSAZSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1ccccc1[C@@H](CO)NCc1cccn1C ZINC000539527351 388763152 /nfs/dbraw/zinc/76/31/52/388763152.db2.gz MYBONEDTWXKCBJ-OAHLLOKOSA-N 0 1 244.338 2.157 20 0 BEADMN Cc1nc([C@@H](C)NCCC[C@@H](C)O)cs1 ZINC000228039197 388765754 /nfs/dbraw/zinc/76/57/54/388765754.db2.gz YYDBEECIQSKTTN-RKDXNWHRSA-N 0 1 228.361 2.263 20 0 BEADMN CC1(CNC(=O)CN2CCC(C)(C)C2)CCC1 ZINC000553497246 388778999 /nfs/dbraw/zinc/77/89/99/388778999.db2.gz ATCBJNFVUCZSDI-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)CC(C)C ZINC000193226880 388813028 /nfs/dbraw/zinc/81/30/28/388813028.db2.gz HAUMBJUGAWYTSN-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@@H](NCc1ccc(Cl)nc1)c1cn[nH]c1 ZINC000270153654 388790768 /nfs/dbraw/zinc/79/07/68/388790768.db2.gz DHWLJIJHLUMHTJ-MRVPVSSYSA-N 0 1 236.706 2.309 20 0 BEADMN O=C(Nc1cncnc1)c1ccc(O)c(Cl)c1 ZINC000231902062 388844212 /nfs/dbraw/zinc/84/42/12/388844212.db2.gz PFUCQBXVOTWRSD-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CCn1cc(C[N@@H+](C)CCOCC(C)C)cn1 ZINC000554545133 388820816 /nfs/dbraw/zinc/82/08/16/388820816.db2.gz MCMNBNGGKVCVQH-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN CCn1cc(CN(C)CCOCC(C)C)cn1 ZINC000554545133 388820820 /nfs/dbraw/zinc/82/08/20/388820820.db2.gz MCMNBNGGKVCVQH-UHFFFAOYSA-N 0 1 239.363 2.007 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000230361190 388824370 /nfs/dbraw/zinc/82/43/70/388824370.db2.gz YRDDFYWQMJHBJL-YPMHNXCESA-N 0 1 223.316 2.282 20 0 BEADMN [O-]c1cccnc1C[NH+]1CCCCCC1 ZINC000554852424 388832120 /nfs/dbraw/zinc/83/21/20/388832120.db2.gz ZARHNLSIWSFEMK-UHFFFAOYSA-N 0 1 206.289 2.163 20 0 BEADMN COCCN1CCc2cccc(F)c2[C@@H]1C ZINC000523451653 388839522 /nfs/dbraw/zinc/83/95/22/388839522.db2.gz MYJCWAGPBHFUJR-JTQLQIEISA-N 0 1 223.291 2.391 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2cnc[nH]2)CC12CC=CC2 ZINC000649143176 388870012 /nfs/dbraw/zinc/87/00/12/388870012.db2.gz UVESNLTZFQZYMY-GFCCVEGCSA-N 0 1 245.326 2.227 20 0 BEADMN CC[N@@H+](CCC1CC1)C[C@](C)(O)C(F)(F)F ZINC000337204889 388849459 /nfs/dbraw/zinc/84/94/59/388849459.db2.gz JJQILRIZFCMQKJ-JTQLQIEISA-N 0 1 239.281 2.422 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@H](F)C2)n[nH]1 ZINC000564663474 388883471 /nfs/dbraw/zinc/88/34/71/388883471.db2.gz IMDXQMXPYFFXIU-VIFPVBQESA-N 0 1 239.294 2.107 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564963953 388902772 /nfs/dbraw/zinc/90/27/72/388902772.db2.gz MRLNZFOZQNCAMY-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H](C2CC2)C1 ZINC000564910870 388898355 /nfs/dbraw/zinc/89/83/55/388898355.db2.gz DFGCZRXVKMGGRR-OAHLLOKOSA-N 0 1 246.354 2.043 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564963957 388902342 /nfs/dbraw/zinc/90/23/42/388902342.db2.gz MRLNZFOZQNCAMY-MNOVXSKESA-N 0 1 213.321 2.075 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000070212069 388877193 /nfs/dbraw/zinc/87/71/93/388877193.db2.gz ISOLLDGYNVLVBG-UHFFFAOYSA-N 0 1 241.294 2.459 20 0 BEADMN Cc1ccncc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000565110194 388916117 /nfs/dbraw/zinc/91/61/17/388916117.db2.gz BPECBFLFKTUKRS-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000565168998 388920737 /nfs/dbraw/zinc/92/07/37/388920737.db2.gz CLCQRWWAMKNXHD-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC12CCCC2 ZINC000565190024 388923616 /nfs/dbraw/zinc/92/36/16/388923616.db2.gz JTVLLTWJJYMQSL-CMPLNLGQSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H](F)CC[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000565255466 388933398 /nfs/dbraw/zinc/93/33/98/388933398.db2.gz SGLYZCIGPDKIEC-UKKRHICBSA-N 0 1 231.311 2.308 20 0 BEADMN CC[C@@H](c1ccc(F)cc1F)N(C)CCO ZINC000153122637 388941289 /nfs/dbraw/zinc/94/12/89/388941289.db2.gz XBJXSWMONFKUEL-LBPRGKRZSA-N 0 1 229.270 2.340 20 0 BEADMN Cc1nnsc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000565541324 388952920 /nfs/dbraw/zinc/95/29/20/388952920.db2.gz NKFWCDBKUUFCFG-PSASIEDQSA-N 0 1 225.361 2.467 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000565599893 388956696 /nfs/dbraw/zinc/95/66/96/388956696.db2.gz DYRWUXKDEIWYAQ-XXJOZFEBSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ncccc1O ZINC000565938825 388979368 /nfs/dbraw/zinc/97/93/68/388979368.db2.gz NARDNDRHJWPCBA-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC(C)(C)C[N@@H+]1Cc1ncccc1[O-] ZINC000565938825 388979370 /nfs/dbraw/zinc/97/93/70/388979370.db2.gz NARDNDRHJWPCBA-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ncccc1[O-] ZINC000565938825 388979372 /nfs/dbraw/zinc/97/93/72/388979372.db2.gz NARDNDRHJWPCBA-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccncc1F ZINC000566068179 388985906 /nfs/dbraw/zinc/98/59/06/388985906.db2.gz WYBOPJMTDBZDGU-BBBLOLIVSA-N 0 1 224.279 2.049 20 0 BEADMN Cc1csc(C(C)(C)NC[C@H]2CCCO2)n1 ZINC000266646215 388996445 /nfs/dbraw/zinc/99/64/45/388996445.db2.gz DAEOIBKYRTVSAU-SNVBAGLBSA-N 0 1 240.372 2.455 20 0 BEADMN Cc1csc(C(C)(C)NC[C@@H]2CCCO2)n1 ZINC000266646214 388996449 /nfs/dbraw/zinc/99/64/49/388996449.db2.gz DAEOIBKYRTVSAU-JTQLQIEISA-N 0 1 240.372 2.455 20 0 BEADMN Cc1ccoc1CNCc1cccn1C ZINC000266588453 388996641 /nfs/dbraw/zinc/99/66/41/388996641.db2.gz MRPZXPHCMVGDFV-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN CO[C@H](CN[C@H](C)c1nccs1)C(C)C ZINC000271341162 389019206 /nfs/dbraw/zinc/01/92/06/389019206.db2.gz CELOAGFVIZARCL-NXEZZACHSA-N 0 1 228.361 2.465 20 0 BEADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccncc1 ZINC000271497610 389021221 /nfs/dbraw/zinc/02/12/21/389021221.db2.gz LQXFJXOMIPOZGN-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000271828677 389025067 /nfs/dbraw/zinc/02/50/67/389025067.db2.gz DLBSRKSVNWHTEU-NSHDSACASA-N 0 1 220.316 2.192 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2nccs2)C1(C)C ZINC000271898380 389026189 /nfs/dbraw/zinc/02/61/89/389026189.db2.gz UUZHMNSGZIXZSA-FBIMIBRVSA-N 0 1 240.372 2.292 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC=C(F)C1 ZINC000274808798 389050217 /nfs/dbraw/zinc/05/02/17/389050217.db2.gz OJLHOJJGRQCJQV-UHFFFAOYSA-N 0 1 239.221 2.231 20 0 BEADMN CO[C@@H](C)CNC1(c2nc(C)cs2)CCC1 ZINC000275145980 389054141 /nfs/dbraw/zinc/05/41/41/389054141.db2.gz FSDKTTXJGDUTMR-JTQLQIEISA-N 0 1 240.372 2.455 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1cc(F)c[nH]1 ZINC001645632688 1172681319 /nfs/dbraw/zinc/68/13/19/1172681319.db2.gz OSUPTBAZUUTXKZ-UHFFFAOYSA-N 0 1 244.229 2.054 20 0 BEADMN CCO[C@@H](CC)C(=O)Nc1ccc2cncn2c1 ZINC001645629544 1172682850 /nfs/dbraw/zinc/68/28/50/1172682850.db2.gz QIXCBOMXZOTSNC-LBPRGKRZSA-N 0 1 247.298 2.088 20 0 BEADMN COCc1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000082644495 322824931 /nfs/dbraw/zinc/82/49/31/322824931.db2.gz BBAZRQVLADECAN-UHFFFAOYSA-N 0 1 240.646 2.242 20 0 BEADMN CC[C@H](C(=O)N1CCCc2ccccc21)N(C)C ZINC000268756515 132192889 /nfs/dbraw/zinc/19/28/89/132192889.db2.gz XZOCOEXMOVTLCZ-CYBMUJFWSA-N 0 1 246.354 2.306 20 0 BEADMN Cc1cn[nH]c1CN1CCOc2cc(F)ccc21 ZINC000291511197 132218271 /nfs/dbraw/zinc/21/82/71/132218271.db2.gz IJSDQNWUSBRRCR-UHFFFAOYSA-N 0 1 247.273 2.256 20 0 BEADMN Cc1nc(CN2c3ccccc3CC[C@H]2C)n[nH]1 ZINC000292001206 132218550 /nfs/dbraw/zinc/21/85/50/132218550.db2.gz BTPIODZLFBVLPK-SNVBAGLBSA-N 0 1 242.326 2.454 20 0 BEADMN CC(C)N(C)CC(=O)N1CCCc2ccccc21 ZINC000070944144 132391514 /nfs/dbraw/zinc/39/15/14/132391514.db2.gz USKLZQZRNRIKAT-UHFFFAOYSA-N 0 1 246.354 2.306 20 0 BEADMN CN1CCN(C(=O)OC(C)(C)C)c2cnccc21 ZINC000175842812 132446787 /nfs/dbraw/zinc/44/67/87/132446787.db2.gz HQPYGJRBPGDTFZ-UHFFFAOYSA-N 0 1 249.314 2.273 20 0 BEADMN O=C(N[C@H]1CC[C@@H](F)C1)c1cccc2nc[nH]c21 ZINC000334228266 133595258 /nfs/dbraw/zinc/59/52/58/133595258.db2.gz ODUQLRXNVFSGJR-BDAKNGLRSA-N 0 1 247.273 2.183 20 0 BEADMN C[C@H]1CN(CCC(C)(C)C)C[C@H](C)S1=O ZINC000335935000 134012411 /nfs/dbraw/zinc/01/24/11/134012411.db2.gz WRHFELVXYKCYEJ-QWRGUYRKSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000335946115 134019678 /nfs/dbraw/zinc/01/96/78/134019678.db2.gz DFTVGFPNYWLMJB-SECBINFHSA-N 0 1 233.271 2.171 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)Nc2ccccc2)CCN1C ZINC000335946798 134020333 /nfs/dbraw/zinc/02/03/33/134020333.db2.gz SKGYJMCKXDEMIG-RYUDHWBXSA-N 0 1 247.342 2.243 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](C)C1 ZINC000335978925 134032723 /nfs/dbraw/zinc/03/27/23/134032723.db2.gz FRRMQAIMCWEIHK-SECBINFHSA-N 0 1 235.331 2.324 20 0 BEADMN C[C@H]1CN(C(=O)CCC(C)(C)C)[C@@H](C)CN1C ZINC000352013495 134036054 /nfs/dbraw/zinc/03/60/54/134036054.db2.gz JEJGDLXDTCOLMG-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCCOC2)o1 ZINC000336026265 134057320 /nfs/dbraw/zinc/05/73/20/134057320.db2.gz FHPJWBVFFCUFEE-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CN(C(=O)c1ccn[nH]1)[C@H]1CCC(C)(C)C1 ZINC000336076503 134073459 /nfs/dbraw/zinc/07/34/59/134073459.db2.gz ZGQGREVCWLSISH-VIFPVBQESA-N 0 1 221.304 2.060 20 0 BEADMN Cc1nc(CSc2nc(C)c(C)o2)n[nH]1 ZINC000336096027 134079964 /nfs/dbraw/zinc/07/99/64/134079964.db2.gz ZOAOOOVKSHHYBN-UHFFFAOYSA-N 0 1 224.289 2.010 20 0 BEADMN c1[nH]nnc1CSc1nc2ccccc2o1 ZINC000352155096 134084267 /nfs/dbraw/zinc/08/42/67/134084267.db2.gz WRXLPVGNDCEEMU-UHFFFAOYSA-N 0 1 232.268 2.238 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)ncn1 ZINC000336110039 134085911 /nfs/dbraw/zinc/08/59/11/134085911.db2.gz JAUOHVCJWHBRDV-GHMZBOCLSA-N 0 1 237.372 2.111 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCCC2)CC[S@]1=O ZINC000336119619 134089861 /nfs/dbraw/zinc/08/98/61/134089861.db2.gz DFRJHMMGSWNTFQ-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H]1CCN(CCC2CCCC2)CC[S@]1=O ZINC000336119619 134089862 /nfs/dbraw/zinc/08/98/62/134089862.db2.gz DFRJHMMGSWNTFQ-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCCC2)CC[S@]1=O ZINC000336119621 134089907 /nfs/dbraw/zinc/08/99/07/134089907.db2.gz DFRJHMMGSWNTFQ-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCCC2)CC[S@@]1=O ZINC000336119620 134089915 /nfs/dbraw/zinc/08/99/15/134089915.db2.gz DFRJHMMGSWNTFQ-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CCN(CCC2CCCC2)CC[S@@]1=O ZINC000336119620 134089916 /nfs/dbraw/zinc/08/99/16/134089916.db2.gz DFRJHMMGSWNTFQ-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CC[S@@](=O)CCN1CCC1CCCC1 ZINC000336131714 134094585 /nfs/dbraw/zinc/09/45/85/134094585.db2.gz RIXVNSFBOYJOPL-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN CC1=CCCN(CC(=O)N2CCCCCC2)C1 ZINC000336143957 134101499 /nfs/dbraw/zinc/10/14/99/134101499.db2.gz CDOYHHSCBMFVMO-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN Cc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)n[nH]1 ZINC000336176720 134117225 /nfs/dbraw/zinc/11/72/25/134117225.db2.gz KVKGNFSSGUDHHI-VIFPVBQESA-N 0 1 235.331 2.226 20 0 BEADMN O=C1CCCN1[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000336197180 134127034 /nfs/dbraw/zinc/12/70/34/134127034.db2.gz YXTNKGMHQBMXCU-AWEZNQCLSA-N 0 1 248.370 2.184 20 0 BEADMN CO[C@H]1CCN(Cc2conc2C)CC1(C)C ZINC000336208749 134133482 /nfs/dbraw/zinc/13/34/82/134133482.db2.gz AKDHJPNGEVXDRM-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN CO[C@H]1CCN(Cc2ccncc2F)[C@H](C)C1 ZINC000336210109 134133738 /nfs/dbraw/zinc/13/37/38/134133738.db2.gz HDUGEGMQTANGIF-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1cnccc1CN[C@H]1CCC[C@H]1F ZINC000336219092 134138258 /nfs/dbraw/zinc/13/82/58/134138258.db2.gz ILLPURNFJQMXRY-NEPJUHHUSA-N 0 1 208.280 2.370 20 0 BEADMN Fc1cncc(CNc2ccc3c(n2)CCC3)c1 ZINC000336218710 134138549 /nfs/dbraw/zinc/13/85/49/134138549.db2.gz PLXWFVIKFZUSLD-UHFFFAOYSA-N 0 1 243.285 2.138 20 0 BEADMN CCn1cncc1CNCc1ccsc1 ZINC000085183984 134225107 /nfs/dbraw/zinc/22/51/07/134225107.db2.gz ZZZBRXXWBRYASW-UHFFFAOYSA-N 0 1 221.329 2.254 20 0 BEADMN C[C@H](C1CC1)[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000172073079 134261258 /nfs/dbraw/zinc/26/12/58/134261258.db2.gz BIMIZSXCZCDXPV-SECBINFHSA-N 0 1 211.305 2.114 20 0 BEADMN CO[C@@]1(C)C[C@H]([NH2+]Cc2cn[nH]c2C)C1(C)C ZINC000174135458 134279256 /nfs/dbraw/zinc/27/92/56/134279256.db2.gz WFCWKMZYSHNFQZ-AAEUAGOBSA-N 0 1 237.347 2.011 20 0 BEADMN Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)o1 ZINC000176722596 134292638 /nfs/dbraw/zinc/29/26/38/134292638.db2.gz GOYNWBNTNPBOAK-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCc1nnc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000177575360 134300461 /nfs/dbraw/zinc/30/04/61/134300461.db2.gz KMGPXPVHDLITON-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN CN(Cc1ccncc1Cl)C[C@@H]1CCOC1 ZINC000178367126 134309296 /nfs/dbraw/zinc/30/92/96/134309296.db2.gz KEXDOAUTZDHDFK-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN C[C@H]1CC(CC[N@@H+](C)CC(=O)[O-])C[C@H](C)C1 ZINC000178910236 134313303 /nfs/dbraw/zinc/31/33/03/134313303.db2.gz YSYJZJDCQFZFRV-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN C[N@@H+](Cc1nnc(C2CC2)[nH]1)C(C1CC1)C1CC1 ZINC000180414240 134327194 /nfs/dbraw/zinc/32/71/94/134327194.db2.gz LLBOLXMUQWRGRV-UHFFFAOYSA-N 0 1 246.358 2.303 20 0 BEADMN CN(Cc1nnc(C2CC2)[nH]1)C(C1CC1)C1CC1 ZINC000180414240 134327195 /nfs/dbraw/zinc/32/71/95/134327195.db2.gz LLBOLXMUQWRGRV-UHFFFAOYSA-N 0 1 246.358 2.303 20 0 BEADMN CCCN(Cc1n[nH]c(C2CC2)n1)CC(F)F ZINC000180415349 134327383 /nfs/dbraw/zinc/32/73/83/134327383.db2.gz KQXZCRQZFJSPJV-UHFFFAOYSA-N 0 1 244.289 2.159 20 0 BEADMN Cc1nc(CN2C[C@@H](C)[C@H]3CCCC[C@@H]32)no1 ZINC000182483919 134345349 /nfs/dbraw/zinc/34/53/49/134345349.db2.gz NEUGJCBYEDRMDV-JLLWLGSASA-N 0 1 235.331 2.389 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000183173409 134348803 /nfs/dbraw/zinc/34/88/03/134348803.db2.gz YLJIWDZMQCFKSF-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCCC[C@@H](CC)CN(C)Cc1nnc[nH]1 ZINC000183631386 134355394 /nfs/dbraw/zinc/35/53/94/134355394.db2.gz HYMDUCQHJNCXNI-LLVKDONJSA-N 0 1 224.352 2.453 20 0 BEADMN Cc1nnc(CN[C@@H](C)C2CCCC2)o1 ZINC000184644384 134366962 /nfs/dbraw/zinc/36/69/62/134366962.db2.gz UPAQZYQDBFLHRF-QMMMGPOBSA-N 0 1 209.293 2.046 20 0 BEADMN CC(C)C[C@H]1OCCC[C@H]1NCc1cc[nH]n1 ZINC000185197685 134372596 /nfs/dbraw/zinc/37/25/96/134372596.db2.gz DMLCWVVDWDAWLE-CHWSQXEVSA-N 0 1 237.347 2.093 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc(C)cs2)C1(C)C ZINC000227830199 134389892 /nfs/dbraw/zinc/38/98/92/134389892.db2.gz ZARQAPNTGPYULT-UWVGGRQHSA-N 0 1 240.372 2.355 20 0 BEADMN CCc1nc(CN[C@]2(C)CCO[C@H]2C)cs1 ZINC000230155942 134484633 /nfs/dbraw/zinc/48/46/33/134484633.db2.gz WQHPHZSDOZSYSG-JOYOIKCWSA-N 0 1 240.372 2.363 20 0 BEADMN CCC1(C)CCN([C@H](C)C(=O)OC)CC1 ZINC000060947113 134796282 /nfs/dbraw/zinc/79/62/82/134796282.db2.gz ZYVYJAPUAYLIRF-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CO[C@H](C)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000248404387 135006546 /nfs/dbraw/zinc/00/65/46/135006546.db2.gz AALQKZMGSOSYPH-HIFRSBDPSA-N 0 1 249.354 2.269 20 0 BEADMN C[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1 ZINC000076115398 135010838 /nfs/dbraw/zinc/01/08/38/135010838.db2.gz AXOYADQNPIDETE-SECBINFHSA-N 0 1 233.271 2.314 20 0 BEADMN Cc1ncsc1CN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000248989253 135029973 /nfs/dbraw/zinc/02/99/73/135029973.db2.gz XVBRSOSLOAVVMS-KOLCDFICSA-N 0 1 240.372 2.451 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CCC[C@@H](C)C2)[nH]1 ZINC000249370602 135037421 /nfs/dbraw/zinc/03/74/21/135037421.db2.gz WRPQPVVGVNRHQX-MNOVXSKESA-N 0 1 236.363 2.378 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000249518216 135040963 /nfs/dbraw/zinc/04/09/63/135040963.db2.gz IKQKLZGAQXGRMF-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)CCOCCN1C[C@@H](C)OC[C@@H]1C ZINC000249746128 135044786 /nfs/dbraw/zinc/04/47/86/135044786.db2.gz CVMDTRDLMKNNGN-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1O ZINC000251674501 135073699 /nfs/dbraw/zinc/07/36/99/135073699.db2.gz MHOFSBYFAXLEQN-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)C[C@H]1C ZINC000251838315 135078806 /nfs/dbraw/zinc/07/88/06/135078806.db2.gz NYMRBXISJDDXMX-MXWKQRLJSA-N 0 1 207.321 2.324 20 0 BEADMN CC(C)[C@@H](C)CNc1ncnc2[nH]cnc21 ZINC000077897395 135085017 /nfs/dbraw/zinc/08/50/17/135085017.db2.gz BGQLFTMSKRLSOO-QMMMGPOBSA-N 0 1 219.292 2.057 20 0 BEADMN C[C@@H](NC[C@]1(C)CCCO1)c1nccs1 ZINC000087234079 135114414 /nfs/dbraw/zinc/11/44/14/135114414.db2.gz MTKQIICMYADXCG-KOLCDFICSA-N 0 1 226.345 2.363 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000260315143 135148610 /nfs/dbraw/zinc/14/86/10/135148610.db2.gz ZLMLUQRAVWHCAB-VIFPVBQESA-N 0 1 241.718 2.287 20 0 BEADMN CC(C)n1cc(CNCc2ccn(C)c2)cn1 ZINC000267035667 135151445 /nfs/dbraw/zinc/15/14/45/135151445.db2.gz BVHHCGIDDMMVRB-UHFFFAOYSA-N 0 1 232.331 2.092 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000261527782 135152126 /nfs/dbraw/zinc/15/21/26/135152126.db2.gz HCFRZVDZJITTMB-VHSXEESVSA-N 0 1 201.310 2.074 20 0 BEADMN CSC[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261534246 135166882 /nfs/dbraw/zinc/16/68/82/135166882.db2.gz OWWHUZCBRHKXNX-MRVPVSSYSA-N 0 1 241.360 2.264 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000261535056 135168531 /nfs/dbraw/zinc/16/85/31/135168531.db2.gz NPCVAMIUJUIMSZ-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H](N)c1nc([C@H]2CCCOC2)cs1 ZINC000261538028 135175499 /nfs/dbraw/zinc/17/54/99/135175499.db2.gz XESUHAPKRFLLES-YUMQZZPRSA-N 0 1 212.318 2.057 20 0 BEADMN Cc1nc(C)c(C[N@@H+](C)CCCC(=O)[O-])s1 ZINC000084149087 135187549 /nfs/dbraw/zinc/18/75/49/135187549.db2.gz JKMWZIGTNYRTHU-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000163845637 135208445 /nfs/dbraw/zinc/20/84/45/135208445.db2.gz XKSYNGDPPJZOTD-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000084347324 135210435 /nfs/dbraw/zinc/21/04/35/135210435.db2.gz NYDTWRPXVCUGLT-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CNCc1cscn1 ZINC000164003590 135212418 /nfs/dbraw/zinc/21/24/18/135212418.db2.gz KSJFNUCLWMHNIG-ONGXEEELSA-N 0 1 228.361 2.030 20 0 BEADMN CCSCCCNCc1cc(C)on1 ZINC000164016069 135212598 /nfs/dbraw/zinc/21/25/98/135212598.db2.gz BYVLTVOPXBBUJE-UHFFFAOYSA-N 0 1 214.334 2.216 20 0 BEADMN Cc1noc(C)c1-c1csc([C@H](C)N)n1 ZINC000261589630 135230259 /nfs/dbraw/zinc/23/02/59/135230259.db2.gz TZDOYUPTUVUQTC-YFKPBYRVSA-N 0 1 223.301 2.435 20 0 BEADMN Clc1ccccc1-c1noc([C@H]2CCN2)n1 ZINC000261655053 135243258 /nfs/dbraw/zinc/24/32/58/135243258.db2.gz FDHWXKRCYASPSL-SECBINFHSA-N 0 1 235.674 2.424 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCN3)n2)cc1 ZINC000261811990 135255081 /nfs/dbraw/zinc/25/50/81/135255081.db2.gz PYNNYLBEZNHGGV-SNVBAGLBSA-N 0 1 215.256 2.079 20 0 BEADMN Cc1cscc1-c1nc(C2(N)CCC2)no1 ZINC000261866025 135258109 /nfs/dbraw/zinc/25/81/09/135258109.db2.gz UTYQPXRHAHMKJE-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN NC1(c2noc(-c3ccccc3)n2)CCC1 ZINC000261896605 135261038 /nfs/dbraw/zinc/26/10/38/135261038.db2.gz YCPYVZYQEDEVSC-UHFFFAOYSA-N 0 1 215.256 2.075 20 0 BEADMN CC(C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000342335299 135264938 /nfs/dbraw/zinc/26/49/38/135264938.db2.gz QQTGGLAVYXJOTG-UHFFFAOYSA-N 0 1 231.255 2.037 20 0 BEADMN Cn1ccnc1[C@@H](NC[C@@H]1CCCCO1)C1CC1 ZINC000342494912 135283364 /nfs/dbraw/zinc/28/33/64/135283364.db2.gz MPQHVXWOQBPCNH-STQMWFEESA-N 0 1 249.358 2.030 20 0 BEADMN Cc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000262181919 135284423 /nfs/dbraw/zinc/28/44/23/135284423.db2.gz DVWUOHAAONGAEK-NEPJUHHUSA-N 0 1 233.311 2.257 20 0 BEADMN CCOC(=O)CN(C[C@H](C)CC)C1CCC1 ZINC000342634115 135298289 /nfs/dbraw/zinc/29/82/89/135298289.db2.gz OMFAZNOSVIDMSE-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cn1ccnc1[C@@H](NCCC(F)(F)F)C1CC1 ZINC000342782580 135317720 /nfs/dbraw/zinc/31/77/20/135317720.db2.gz NTHCTKMJYZOKGV-VIFPVBQESA-N 0 1 247.264 2.413 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC[C@H]2C)n1C ZINC000342795032 135319493 /nfs/dbraw/zinc/31/94/93/135319493.db2.gz VPXWDRQAILTELV-WDEREUQCSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C(C)C)n1C ZINC000342792862 135319566 /nfs/dbraw/zinc/31/95/66/135319566.db2.gz PZYLVXQFMKXAAP-NSHDSACASA-N 0 1 209.337 2.205 20 0 BEADMN Cc1cnc(CN(CC(C)C)C2CC2)n1C ZINC000342792233 135319795 /nfs/dbraw/zinc/31/97/95/135319795.db2.gz PSDUHGVINDCRMM-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CCOCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000342795108 135320005 /nfs/dbraw/zinc/32/00/05/135320005.db2.gz YBDLBYIBFJXEFC-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@@H](C)C2)n1C ZINC000342799412 135320379 /nfs/dbraw/zinc/32/03/79/135320379.db2.gz NIEVHJQTGAGBRR-GHMZBOCLSA-N 0 1 221.348 2.206 20 0 BEADMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(C)CCCC1 ZINC000334172446 135330926 /nfs/dbraw/zinc/33/09/26/135330926.db2.gz BRUWLMKWDIGYQG-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1(C)CCCC1 ZINC000334172446 135330927 /nfs/dbraw/zinc/33/09/27/135330927.db2.gz BRUWLMKWDIGYQG-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(C)CCCC1 ZINC000334172451 135331081 /nfs/dbraw/zinc/33/10/81/135331081.db2.gz BRUWLMKWDIGYQG-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)C2(C)CCCC2)CCN1C ZINC000334172451 135331083 /nfs/dbraw/zinc/33/10/83/135331083.db2.gz BRUWLMKWDIGYQG-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cccc2nc(CNC(=O)C3=CCC3)[nH]c21 ZINC000334273991 135331758 /nfs/dbraw/zinc/33/17/58/135331758.db2.gz BDOBRFGBFPMIBR-UHFFFAOYSA-N 0 1 241.294 2.208 20 0 BEADMN CCC1(O)CCN(Cc2ccc(C)cn2)CC1 ZINC000334277375 135333768 /nfs/dbraw/zinc/33/37/68/135333768.db2.gz OKTDDXWQXJKHGC-UHFFFAOYSA-N 0 1 234.343 2.127 20 0 BEADMN CCC[C@@H](C)CN(CC(=O)OC)C1CC1 ZINC000342925454 135336002 /nfs/dbraw/zinc/33/60/02/135336002.db2.gz INSTUTOYKQWDOL-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cnc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC000334295371 135342370 /nfs/dbraw/zinc/34/23/70/135342370.db2.gz WHWHIJBBOROXQV-LLVKDONJSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2C)cn1 ZINC000334295371 135342372 /nfs/dbraw/zinc/34/23/72/135342372.db2.gz WHWHIJBBOROXQV-LLVKDONJSA-N 0 1 205.305 2.159 20 0 BEADMN Cc1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1F ZINC000263326117 135347769 /nfs/dbraw/zinc/34/77/69/135347769.db2.gz KLDDVPNCYDBMRM-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000263412145 135351970 /nfs/dbraw/zinc/35/19/70/135351970.db2.gz LTMAQFDFAAIHPA-HMDXOVGESA-N 0 1 237.274 2.244 20 0 BEADMN C[C@@H](CCc1ccccc1)C[N@@H+](C)CC(=O)[O-] ZINC000263422415 135352695 /nfs/dbraw/zinc/35/26/95/135352695.db2.gz PHTKOAKUIYLLAS-LBPRGKRZSA-N 0 1 235.327 2.272 20 0 BEADMN Cc1cccc(CC[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000263420119 135352987 /nfs/dbraw/zinc/35/29/87/135352987.db2.gz OQDARXZTYWQBEJ-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263430406 135353366 /nfs/dbraw/zinc/35/33/66/135353366.db2.gz RWTRRNAADHGGAH-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000263432235 135353530 /nfs/dbraw/zinc/35/35/30/135353530.db2.gz SNHWBQNBNJDCHF-NXEZZACHSA-N 0 1 239.290 2.334 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000263432237 135353904 /nfs/dbraw/zinc/35/39/04/135353904.db2.gz SNHWBQNBNJDCHF-UWVGGRQHSA-N 0 1 239.290 2.334 20 0 BEADMN COc1ccccc1/C=C/C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263433227 135353927 /nfs/dbraw/zinc/35/39/27/135353927.db2.gz SWPXIUKSABXNKP-IOCXFXADSA-N 0 1 249.310 2.113 20 0 BEADMN CC[C@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC000334329819 135354761 /nfs/dbraw/zinc/35/47/61/135354761.db2.gz JREJUQDVSUPTQI-LBPRGKRZSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1cccc(CC[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000263448039 135355415 /nfs/dbraw/zinc/35/54/15/135355415.db2.gz YNMQCCJWTVIURT-CYBMUJFWSA-N 0 1 233.311 2.087 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000263448002 135355554 /nfs/dbraw/zinc/35/55/54/135355554.db2.gz YMZMEBOFUXFUPP-NWDGAFQWSA-N 0 1 235.327 2.270 20 0 BEADMN CC(C)CC[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263483118 135356805 /nfs/dbraw/zinc/35/68/05/135356805.db2.gz GSOCFXCCQUHCJY-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@H](Nc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000263557416 135360157 /nfs/dbraw/zinc/36/01/57/135360157.db2.gz PETZAFDCWKGQJX-JTQLQIEISA-N 0 1 247.298 2.239 20 0 BEADMN CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263572934 135360896 /nfs/dbraw/zinc/36/08/96/135360896.db2.gz LRNMUFQVVAJFOY-ZDUSSCGKSA-N 0 1 233.311 2.298 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)o1 ZINC000334351495 135368625 /nfs/dbraw/zinc/36/86/25/135368625.db2.gz WFTULFARILSGBW-GHMZBOCLSA-N 0 1 235.331 2.389 20 0 BEADMN C[C@H](c1nncn1C)N1CCC(C)(C2CC2)CC1 ZINC000334363564 135373289 /nfs/dbraw/zinc/37/32/89/135373289.db2.gz LSISLLJXZGHYMV-LLVKDONJSA-N 0 1 248.374 2.388 20 0 BEADMN C[C@@H](c1nncn1C)N1CCC(C)(C2CC2)CC1 ZINC000334363566 135373538 /nfs/dbraw/zinc/37/35/38/135373538.db2.gz LSISLLJXZGHYMV-NSHDSACASA-N 0 1 248.374 2.388 20 0 BEADMN Cc1nc([C@@H]2CCCCN2CC(F)(F)F)n[nH]1 ZINC000334381438 135379667 /nfs/dbraw/zinc/37/96/67/135379667.db2.gz JKXOPPDUCXYFLT-QMMMGPOBSA-N 0 1 248.252 2.202 20 0 BEADMN c1cn2c(n1)CN(C[C@H]1CC=CCC1)CC2 ZINC000334394657 135387133 /nfs/dbraw/zinc/38/71/33/135387133.db2.gz BCSAQOAMLLEYFD-LBPRGKRZSA-N 0 1 217.316 2.055 20 0 BEADMN CC1CN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000334409992 135391637 /nfs/dbraw/zinc/39/16/37/135391637.db2.gz SOQIBIQOBXLXQJ-UHFFFAOYSA-N 0 1 245.301 2.463 20 0 BEADMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccn1 ZINC000334405931 135393794 /nfs/dbraw/zinc/39/37/94/135393794.db2.gz HOJPAJTUFDPULV-GHMZBOCLSA-N 0 1 242.326 2.013 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2CCC2)[C@H](C)C1 ZINC000334411639 135395320 /nfs/dbraw/zinc/39/53/20/135395320.db2.gz LFJCVSSUZASZFM-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN c1cnc(CN2CCC[C@H](C3CC3)C2)nc1 ZINC000334412152 135396332 /nfs/dbraw/zinc/39/63/32/135396332.db2.gz LQMVMZNGZUXZPV-LBPRGKRZSA-N 0 1 217.316 2.099 20 0 BEADMN c1c[nH]c(CN[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000164781058 135440031 /nfs/dbraw/zinc/44/00/31/135440031.db2.gz WAUPVDXODAMDJA-RYUDHWBXSA-N 0 1 219.332 2.468 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@H](C)C2)n(C)n1 ZINC000335298182 136007585 /nfs/dbraw/zinc/00/75/85/136007585.db2.gz HVJXRJSMNCDYCI-JTQLQIEISA-N 0 1 219.332 2.127 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC[C@H]2F)n(C)n1 ZINC000335305041 136021879 /nfs/dbraw/zinc/02/18/79/136021879.db2.gz XNQQDSZBHUGSTC-VXGBXAGGSA-N 0 1 225.311 2.099 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)CC[C@H]2C)nn1 ZINC000335318336 136026017 /nfs/dbraw/zinc/02/60/17/136026017.db2.gz CXECSTDKHBNIPH-VXGBXAGGSA-N 0 1 236.363 2.479 20 0 BEADMN CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CC1(C)C ZINC000335312434 136030604 /nfs/dbraw/zinc/03/06/04/136030604.db2.gz XMNWBLXSFGIVPX-LLVKDONJSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)CC12CCC2 ZINC000335313916 136031358 /nfs/dbraw/zinc/03/13/58/136031358.db2.gz YRDKZHWOHVYXAU-JTQLQIEISA-N 0 1 233.315 2.062 20 0 BEADMN CC(C)[C@@H]1[N@@H+](Cc2cncn2C)CC1(C)C ZINC000335320005 136033911 /nfs/dbraw/zinc/03/39/11/136033911.db2.gz AWZIPEFLWIIIJV-LBPRGKRZSA-N 0 1 221.348 2.287 20 0 BEADMN C[C@@H](Cc1ccoc1)[NH2+]Cc1ncccc1[O-] ZINC000348095439 136035625 /nfs/dbraw/zinc/03/56/25/136035625.db2.gz IVXJLHXIYZGJHH-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1nccn1C ZINC000348156517 136040667 /nfs/dbraw/zinc/04/06/67/136040667.db2.gz DDWIODWGZAECQT-HRDYMLBCSA-N 0 1 229.274 2.114 20 0 BEADMN Cc1cc(CN2CCSCC[C@@H]2C)nn1C ZINC000348183517 136043632 /nfs/dbraw/zinc/04/36/32/136043632.db2.gz MZPJJGNDFPGOLZ-JTQLQIEISA-N 0 1 239.388 2.056 20 0 BEADMN CC(C)CN(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000335338109 136044992 /nfs/dbraw/zinc/04/49/92/136044992.db2.gz VJBYVVCNUFLLTM-UHFFFAOYSA-N 0 1 249.289 2.430 20 0 BEADMN Cc1ccc(CN2CCCO[C@H](C)C2)nc1 ZINC000335340053 136045741 /nfs/dbraw/zinc/04/57/41/136045741.db2.gz UKOZPWDKMCFYOR-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Oc1cc(F)cc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000348214457 136046342 /nfs/dbraw/zinc/04/63/42/136046342.db2.gz COKIJEITILRZPK-ZJUUUORDSA-N 0 1 231.217 2.275 20 0 BEADMN CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]1CC ZINC000348192974 136049719 /nfs/dbraw/zinc/04/97/19/136049719.db2.gz NDUVONGIXWXZAE-SRVKXCTJSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000335323740 136051072 /nfs/dbraw/zinc/05/10/72/136051072.db2.gz FPKYPHJWQDIYAV-SNVBAGLBSA-N 0 1 235.331 2.226 20 0 BEADMN c1nc2n(n1)CCC[C@@H]2NC1CC2(CCC2)C1 ZINC000335336066 136055768 /nfs/dbraw/zinc/05/57/68/136055768.db2.gz QIHIDQCKKZZVBD-NSHDSACASA-N 0 1 232.331 2.035 20 0 BEADMN CCN(Cc1cccc2c1OCO2)[C@@H]1CCOC1 ZINC000348384067 136074768 /nfs/dbraw/zinc/07/47/68/136074768.db2.gz ZMUWTPSPLVNQPQ-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN CCc1ncc(CN2[C@H](C)C[C@@H]2C)cn1 ZINC000335392531 136091391 /nfs/dbraw/zinc/09/13/91/136091391.db2.gz JSEXXVUHYVKRGY-AOOOYVTPSA-N 0 1 205.305 2.022 20 0 BEADMN Cc1nccc(N2CC[C@@H](C)[C@@H]2CO)c1Cl ZINC000335557877 136100231 /nfs/dbraw/zinc/10/02/31/136100231.db2.gz GJLLLOPUPGZSSM-KCJUWKMLSA-N 0 1 240.734 2.251 20 0 BEADMN C[C@@H](O)CCN1CCc2cccc(Cl)c2C1 ZINC000335586238 136102399 /nfs/dbraw/zinc/10/23/99/136102399.db2.gz CPAZEHYLZWFKRW-SNVBAGLBSA-N 0 1 239.746 2.469 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)[C@H]2CC2(C)C)cc1 ZINC000335562673 136106647 /nfs/dbraw/zinc/10/66/47/136106647.db2.gz KDDZASUTHULJKG-STQMWFEESA-N 0 1 246.354 2.252 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000335571632 136109933 /nfs/dbraw/zinc/10/99/33/136109933.db2.gz QIRZRAGKGKEDKD-VIFPVBQESA-N 0 1 211.334 2.303 20 0 BEADMN C[C@H]1CCCCCN1Cc1cnns1 ZINC000335571632 136109934 /nfs/dbraw/zinc/10/99/34/136109934.db2.gz QIRZRAGKGKEDKD-VIFPVBQESA-N 0 1 211.334 2.303 20 0 BEADMN FC1(F)CCC[C@@H](N[C@H]2CCn3ccnc32)C1 ZINC000335572655 136110001 /nfs/dbraw/zinc/11/00/01/136110001.db2.gz OJDBUCHITOAPPH-ZJUUUORDSA-N 0 1 241.285 2.495 20 0 BEADMN OC[C@@]1(F)CCCN(CC2=CCCCC2)C1 ZINC000335573148 136110232 /nfs/dbraw/zinc/11/02/32/136110232.db2.gz ZSXPNTJGVVCJNN-CYBMUJFWSA-N 0 1 227.323 2.283 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)C1CCCC1 ZINC000335573617 136110383 /nfs/dbraw/zinc/11/03/83/136110383.db2.gz AEKAYQLULJSBSX-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN c1ncc(C[N@H+]2CCC[C@]3(CCSC3)C2)cn1 ZINC000335579768 136111820 /nfs/dbraw/zinc/11/18/20/136111820.db2.gz KFNCIUFXMSSHFJ-ZDUSSCGKSA-N 0 1 249.383 2.196 20 0 BEADMN c1ncc(CN2CCC[C@]3(CCSC3)C2)cn1 ZINC000335579768 136111821 /nfs/dbraw/zinc/11/18/21/136111821.db2.gz KFNCIUFXMSSHFJ-ZDUSSCGKSA-N 0 1 249.383 2.196 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@]23CCOC3)cn1 ZINC000367046990 136112211 /nfs/dbraw/zinc/11/22/11/136112211.db2.gz CQTILYIZNVCDBN-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN Cc1ccc(CCCN2CCO[C@H](C)C2)cn1 ZINC000348668854 136116060 /nfs/dbraw/zinc/11/60/60/136116060.db2.gz GBBUUYRBDQBOKY-CYBMUJFWSA-N 0 1 234.343 2.043 20 0 BEADMN CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001646380469 1172733479 /nfs/dbraw/zinc/73/34/79/1172733479.db2.gz SRJUJIRWKFFRRA-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1ccc(CN2CC[C@H](O)C(C)(C)C2)nc1 ZINC000336437768 397753386 /nfs/dbraw/zinc/75/33/86/397753386.db2.gz MGIMCVACKGGPHW-AWEZNQCLSA-N 0 1 248.370 2.237 20 0 BEADMN O=[S@](CCN1CCCCC1)c1ccccc1 ZINC000104661029 397783765 /nfs/dbraw/zinc/78/37/65/397783765.db2.gz ITONJEUPQKHHNR-INIZCTEOSA-N 0 1 237.368 2.280 20 0 BEADMN C[C@H](N[C@@H](C)c1cncs1)c1cnn(C)c1 ZINC000163870808 397788154 /nfs/dbraw/zinc/78/81/54/397788154.db2.gz FQKLMPZEGYPROF-IUCAKERBSA-N 0 1 236.344 2.288 20 0 BEADMN Cc1nc(CSc2ccccc2O)n[nH]1 ZINC000308914508 397843017 /nfs/dbraw/zinc/84/30/17/397843017.db2.gz NJWSISDPOPURQP-UHFFFAOYSA-N 0 1 221.285 2.111 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000216157604 397852413 /nfs/dbraw/zinc/85/24/13/397852413.db2.gz KGWHUPNOWBDCNS-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@H](NCc1cnn(C)c1)c1cccnc1 ZINC000185112861 397871671 /nfs/dbraw/zinc/87/16/71/397871671.db2.gz XDLAPZUDUWZALI-AWEZNQCLSA-N 0 1 244.342 2.446 20 0 BEADMN Cc1cn[nH]c1C[NH+](CC1CC1)CC1CC1 ZINC000356107894 397927533 /nfs/dbraw/zinc/92/75/33/397927533.db2.gz FEJXIBUBKVFSSR-UHFFFAOYSA-N 0 1 219.332 2.340 20 0 BEADMN CCn1cccc(CNCc2ccoc2C)c1=O ZINC000414441530 397939973 /nfs/dbraw/zinc/93/99/73/397939973.db2.gz FNPADFHXLSVXEP-UHFFFAOYSA-N 0 1 246.310 2.059 20 0 BEADMN CC[C@H]1CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649550745 397942746 /nfs/dbraw/zinc/94/27/46/397942746.db2.gz ZNMWXVKPUAJTNP-LBPRGKRZSA-N 0 1 233.359 2.451 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C)[nH]n1 ZINC000271388230 397966555 /nfs/dbraw/zinc/96/65/55/397966555.db2.gz GWEHZCHSSOOXQN-ZJUUUORDSA-N 0 1 221.304 2.121 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000360784216 397967084 /nfs/dbraw/zinc/96/70/84/397967084.db2.gz VDBYEIFGROXUSG-NXEZZACHSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000360784216 397967087 /nfs/dbraw/zinc/96/70/87/397967087.db2.gz VDBYEIFGROXUSG-NXEZZACHSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000360784220 397967205 /nfs/dbraw/zinc/96/72/05/397967205.db2.gz VDBYEIFGROXUSG-ZJUUUORDSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000360784220 397967209 /nfs/dbraw/zinc/96/72/09/397967209.db2.gz VDBYEIFGROXUSG-ZJUUUORDSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CCC(C)(C)C ZINC000359199824 397950322 /nfs/dbraw/zinc/95/03/22/397950322.db2.gz PZLSUDOJEGPIDV-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN COc1nccnc1CN1CCC[C@H](C(C)C)C1 ZINC000449264806 397953989 /nfs/dbraw/zinc/95/39/89/397953989.db2.gz NQESNOWZNAIAMD-LBPRGKRZSA-N 0 1 249.358 2.353 20 0 BEADMN CN(CCC1CC1)Cc1cc2n(n1)CCC2 ZINC000649566148 397956090 /nfs/dbraw/zinc/95/60/90/397956090.db2.gz DAFAEYDGVQNNCC-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN C[C@H]1CCN(Cc2cc3n(n2)CCC3)C[C@H]1C ZINC000649572153 397960056 /nfs/dbraw/zinc/96/00/56/397960056.db2.gz LRVKETDBGQZEBV-NWDGAFQWSA-N 0 1 233.359 2.307 20 0 BEADMN CCOc1ccc2nc(COC)[nH]c2c1 ZINC000040169828 397962216 /nfs/dbraw/zinc/96/22/16/397962216.db2.gz KOLMJNQFLLMIHQ-UHFFFAOYSA-N 0 1 206.245 2.108 20 0 BEADMN Cc1nnc([C@@H](C)N(C)CC2CCC2)o1 ZINC000111295968 397906765 /nfs/dbraw/zinc/90/67/65/397906765.db2.gz HDMQVQRZZQJKRL-MRVPVSSYSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629376630 397926430 /nfs/dbraw/zinc/92/64/30/397926430.db2.gz JGPBHGIPPMAVJH-BNDIWNMDSA-N 0 1 237.343 2.218 20 0 BEADMN CC(C)C[C@H](N)c1noc(C[C@H]2C[C@H]2C)n1 ZINC000414620560 397993561 /nfs/dbraw/zinc/99/35/61/397993561.db2.gz QBWAQUZBQDMKDO-BBBLOLIVSA-N 0 1 223.320 2.314 20 0 BEADMN CCCC(C)(C)NC(=O)NCc1cn[nH]c1C ZINC000274669828 398012341 /nfs/dbraw/zinc/01/23/41/398012341.db2.gz XUFFXBCQWADQPY-UHFFFAOYSA-N 0 1 238.335 2.096 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCC3)[C@H](C)C1 ZINC000649632562 398012378 /nfs/dbraw/zinc/01/23/78/398012378.db2.gz OTGPOOIGNOTJHO-VXGBXAGGSA-N 0 1 233.359 2.450 20 0 BEADMN c1c(CN2CCC23CCCC3)nn2c1CCC2 ZINC000649658694 398027889 /nfs/dbraw/zinc/02/78/89/398027889.db2.gz VFJUOOFLYCFABF-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN C[C@@]1(F)CCCN(CCOC[C@@H]2CCCO2)C1 ZINC000649690469 398036481 /nfs/dbraw/zinc/03/64/81/398036481.db2.gz YFFDXHAWQSAWHA-QWHCGFSZSA-N 0 1 245.338 2.006 20 0 BEADMN C[C@H](c1ccncc1)N(C)Cc1ccc(N)nc1 ZINC000383803462 398036600 /nfs/dbraw/zinc/03/66/00/398036600.db2.gz JCVIKZUXQRNOHN-LLVKDONJSA-N 0 1 242.326 2.082 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CC[C@@H](SC)C1 ZINC000451324968 397972946 /nfs/dbraw/zinc/97/29/46/397972946.db2.gz MMTGKXHSDIFFKW-GHMZBOCLSA-N 0 1 245.388 2.011 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CC[C@H](SC)C1 ZINC000451324970 397972991 /nfs/dbraw/zinc/97/29/91/397972991.db2.gz MMTGKXHSDIFFKW-QWRGUYRKSA-N 0 1 245.388 2.011 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H]2C2CC2)n1 ZINC000361331136 397976709 /nfs/dbraw/zinc/97/67/09/397976709.db2.gz MKJMOIMRWMQXNW-LBPRGKRZSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H]2C2CC2)n1 ZINC000361331136 397976710 /nfs/dbraw/zinc/97/67/10/397976710.db2.gz MKJMOIMRWMQXNW-LBPRGKRZSA-N 0 1 247.342 2.119 20 0 BEADMN C[C@@H](N[C@@H](C)C(F)F)[C@@H]1CCCOC1 ZINC000388540144 397982569 /nfs/dbraw/zinc/98/25/69/397982569.db2.gz CBGXYPAIRDRTJQ-HRDYMLBCSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@@H]1CN(CCc2ccccn2)[C@@H](C)CO1 ZINC000649729850 398067936 /nfs/dbraw/zinc/06/79/36/398067936.db2.gz HAQRLZJKBDWZIA-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@H]1CN(CCc2ccccn2)[C@H](C)CO1 ZINC000649729852 398068308 /nfs/dbraw/zinc/06/83/08/398068308.db2.gz HAQRLZJKBDWZIA-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2C=CCCC2)[nH]1 ZINC000186552316 398068517 /nfs/dbraw/zinc/06/85/17/398068517.db2.gz YCVQRPDEINENJQ-VIFPVBQESA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2C=CCCC2)n1 ZINC000186552316 398068520 /nfs/dbraw/zinc/06/85/20/398068520.db2.gz YCVQRPDEINENJQ-VIFPVBQESA-N 0 1 234.303 2.052 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000355035666 398093527 /nfs/dbraw/zinc/09/35/27/398093527.db2.gz GXUQHNSNBYDSSM-RAIGVLPGSA-N 0 1 248.326 2.030 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)[C@@H](C)CO1 ZINC000649736781 398078843 /nfs/dbraw/zinc/07/88/43/398078843.db2.gz JBDNDIWLIQDTOI-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2C)[C@@H](C)CO1 ZINC000649737048 398079745 /nfs/dbraw/zinc/07/97/45/398079745.db2.gz PVMLNKNXSWYGAX-DZGCQCFKSA-N 0 1 248.370 2.432 20 0 BEADMN CC(C)=CCSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000288677333 398083920 /nfs/dbraw/zinc/08/39/20/398083920.db2.gz SKFWGBFTPTXXSJ-UHFFFAOYSA-N 0 1 236.300 2.117 20 0 BEADMN Cc1ccc2nc([C@@H]3CCCN3CCO)[nH]c2c1 ZINC000289315452 398085938 /nfs/dbraw/zinc/08/59/38/398085938.db2.gz JNXCNNBYCBCMEY-ZDUSSCGKSA-N 0 1 245.326 2.001 20 0 BEADMN CN(C)c1cccc(CN2CC[C@@H](F)C2)c1 ZINC000649755908 398087112 /nfs/dbraw/zinc/08/71/12/398087112.db2.gz MTUYZOSNRNUIOD-GFCCVEGCSA-N 0 1 222.307 2.296 20 0 BEADMN C1CC1[C@H]1C[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000647145396 398087213 /nfs/dbraw/zinc/08/72/13/398087213.db2.gz VCFVGZZFQXZZMR-KXUCPTDWSA-N 0 1 219.288 2.008 20 0 BEADMN Fc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291214419 398090805 /nfs/dbraw/zinc/09/08/05/398090805.db2.gz IVNNIAHWEXIZMV-CQSZACIVSA-N 0 1 245.301 2.469 20 0 BEADMN CC(C)O[C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000649703081 398051368 /nfs/dbraw/zinc/05/13/68/398051368.db2.gz TXJIOASALJVQKA-OLZOCXBDSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)OC ZINC000185791180 398091883 /nfs/dbraw/zinc/09/18/83/398091883.db2.gz OTBXPSTVBKZLIP-CQSZACIVSA-N 0 1 247.338 2.386 20 0 BEADMN FC1(F)CC12CCN(Cc1ccno1)CC2 ZINC000649774956 398097951 /nfs/dbraw/zinc/09/79/51/398097951.db2.gz WKZHNTKUYQXHFX-UHFFFAOYSA-N 0 1 228.242 2.296 20 0 BEADMN Cc1nnsc1CN[C@@H](C)CC(F)(F)F ZINC000389618622 398116780 /nfs/dbraw/zinc/11/67/80/398116780.db2.gz HQUKZTATGPGJCI-YFKPBYRVSA-N 0 1 239.266 2.277 20 0 BEADMN C(NC1(C2CCC2)CC1)c1nnc2n1CCCC2 ZINC000649810491 398117043 /nfs/dbraw/zinc/11/70/43/398117043.db2.gz NEZMUBPHXNNXSI-UHFFFAOYSA-N 0 1 246.358 2.037 20 0 BEADMN CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)[O-] ZINC000236937126 398118230 /nfs/dbraw/zinc/11/82/30/398118230.db2.gz BCOQNODWSNJZAK-VIFPVBQESA-N 0 1 225.313 2.142 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](C)C(C)(C)CC ZINC000358424635 171323114 /nfs/dbraw/zinc/32/31/14/171323114.db2.gz INWQKEDGTXRNMW-JTQLQIEISA-N 0 1 214.353 2.022 20 0 BEADMN CCn1ncnc1CN1CCCC(C)(C)CC1 ZINC000193359065 398110606 /nfs/dbraw/zinc/11/06/06/398110606.db2.gz FZIFVJGPSWQEPI-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000082718143 171361921 /nfs/dbraw/zinc/36/19/21/171361921.db2.gz PWBMGFZRMJECHB-VHSXEESVSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1nnc([C@H](C)NC2(C3CCC3)CC2)o1 ZINC000649808208 398112482 /nfs/dbraw/zinc/11/24/82/398112482.db2.gz VYSFPHPHGBARFA-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000062751064 1172777732 /nfs/dbraw/zinc/77/77/32/1172777732.db2.gz CVEQLMZPTFQDCJ-UHFFFAOYSA-N 0 1 225.263 2.366 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000294656967 398129505 /nfs/dbraw/zinc/12/95/05/398129505.db2.gz ABAUTNNLGNAAHK-ZDUSSCGKSA-N 0 1 248.305 2.282 20 0 BEADMN C[C@]1(F)CCCN(Cc2c[nH]c3nccnc23)C1 ZINC000294656967 398129509 /nfs/dbraw/zinc/12/95/09/398129509.db2.gz ABAUTNNLGNAAHK-ZDUSSCGKSA-N 0 1 248.305 2.282 20 0 BEADMN CC(C)c1nc(CNc2ncccc2F)n[nH]1 ZINC000295048593 398131550 /nfs/dbraw/zinc/13/15/50/398131550.db2.gz XKOFGUWIUIHKPS-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN CC(C)(C)[C@H](O)CNCc1nc2ccccc2o1 ZINC000638582240 398133814 /nfs/dbraw/zinc/13/38/14/398133814.db2.gz KPEABXFWBOCIAQ-GFCCVEGCSA-N 0 1 248.326 2.324 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1nccs1 ZINC000385102344 398134625 /nfs/dbraw/zinc/13/46/25/398134625.db2.gz HXAMWDXWSXTYLD-IMSYWVGJSA-N 0 1 226.345 2.360 20 0 BEADMN Nc1nccnc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000063215929 1172809165 /nfs/dbraw/zinc/80/91/65/1172809165.db2.gz ZNFHRGGJTDCZJP-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN CC(C)N[C@@H](C)c1ncc(Br)cn1 ZINC000306517646 167132352 /nfs/dbraw/zinc/13/23/52/167132352.db2.gz HRHDASPIKUKMRL-ZETCQYMHSA-N 0 1 244.136 2.298 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000086807939 487557382 /nfs/dbraw/zinc/55/73/82/487557382.db2.gz CXRGHIMEQFEBSI-GXFFZTMASA-N 0 1 233.311 2.326 20 0 BEADMN CN(Cc1ccn(C)n1)CC1CC2(CCC2)C1 ZINC001648594322 1172854706 /nfs/dbraw/zinc/85/47/06/1172854706.db2.gz PBCFVRWWSFLDMK-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000086807941 487557411 /nfs/dbraw/zinc/55/74/11/487557411.db2.gz CXRGHIMEQFEBSI-ZWNOBZJWSA-N 0 1 233.311 2.326 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@H]2C)n1 ZINC000309455039 487558241 /nfs/dbraw/zinc/55/82/41/487558241.db2.gz NKGDJEMNDSUUHV-VGMNWLOBSA-N 0 1 209.293 2.239 20 0 BEADMN Cc1cc(C)cc(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000037598221 487558654 /nfs/dbraw/zinc/55/86/54/487558654.db2.gz QIHFHWCDGBVAKM-UHFFFAOYSA-N 0 1 233.311 2.352 20 0 BEADMN Cc1ncc(CN2CCC[C@H]2c2ccc[nH]2)n1C ZINC000667464817 487561308 /nfs/dbraw/zinc/56/13/08/487561308.db2.gz CHBUBXUVFKFNTI-AWEZNQCLSA-N 0 1 244.342 2.394 20 0 BEADMN CCn1ccnc1CNC[C@@H]1CCCCS1 ZINC000087684029 322885809 /nfs/dbraw/zinc/88/58/09/322885809.db2.gz DHUAZDZKHMJBDJ-NSHDSACASA-N 0 1 239.388 2.278 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2c1OCO2 ZINC000685620282 487565236 /nfs/dbraw/zinc/56/52/36/487565236.db2.gz VOJPXHZIQYBZSA-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN CCCN(Cc1nc(CC)no1)C(C)C ZINC000653797488 487568587 /nfs/dbraw/zinc/56/85/87/487568587.db2.gz PYVSICHWKDDIEO-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000382986918 487574451 /nfs/dbraw/zinc/57/44/51/487574451.db2.gz WJLHBOAVOZSHQW-RKDXNWHRSA-N 0 1 247.285 2.359 20 0 BEADMN C[C@H](NCC1=CCCC1)c1ccncn1 ZINC000658290529 487578653 /nfs/dbraw/zinc/57/86/53/487578653.db2.gz BHSRELCLXMXUMF-JTQLQIEISA-N 0 1 203.289 2.238 20 0 BEADMN Cc1cc(CNC(=O)c2occc2C(C)C)n[nH]1 ZINC000670788193 487580042 /nfs/dbraw/zinc/58/00/42/487580042.db2.gz VSHHATVVUNQOIZ-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN Cc1cnc(CNc2cccc3[nH]nnc32)s1 ZINC001651096312 1172923766 /nfs/dbraw/zinc/92/37/66/1172923766.db2.gz BJXFCKVWRUDUCN-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CCn1ccc(CNC(C)(C)COC(C)C)n1 ZINC001651208935 1172930305 /nfs/dbraw/zinc/93/03/05/1172930305.db2.gz WUFLDUODEMGDEA-UHFFFAOYSA-N 0 1 239.363 2.196 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@H](C)C2CC2)cc1 ZINC000228083660 487583288 /nfs/dbraw/zinc/58/32/88/487583288.db2.gz BHTNXWGETCHGOF-SMDDNHRTSA-N 0 1 246.354 2.157 20 0 BEADMN CO[C@@H](CN[C@@H]1CCn2ccnc21)C1CCCC1 ZINC000658315170 487584582 /nfs/dbraw/zinc/58/45/82/487584582.db2.gz MLBLPMCTDOZIJE-OLZOCXBDSA-N 0 1 249.358 2.123 20 0 BEADMN CO[C@H](CN[C@@H]1CCn2ccnc21)C1CCCC1 ZINC000658315169 487584669 /nfs/dbraw/zinc/58/46/69/487584669.db2.gz MLBLPMCTDOZIJE-CHWSQXEVSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)CCC(C)C)cc1 ZINC000228080514 487584964 /nfs/dbraw/zinc/58/49/64/487584964.db2.gz KLHFZRROUJJHLD-CQSZACIVSA-N 0 1 248.370 2.499 20 0 BEADMN CC(C)(C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000074852861 487585002 /nfs/dbraw/zinc/58/50/02/487585002.db2.gz ZWCFQSUZRSPMHO-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CCn1ccc(CNC[C@H]2C(C)(C)C2(F)F)n1 ZINC001651363723 1172945571 /nfs/dbraw/zinc/94/55/71/1172945571.db2.gz LSFDPNUZRXODJN-JTQLQIEISA-N 0 1 243.301 2.284 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnccc2N)C1 ZINC000310840472 487588869 /nfs/dbraw/zinc/58/88/69/487588869.db2.gz JANMKRCXHVUFSZ-GHMZBOCLSA-N 0 1 247.342 2.315 20 0 BEADMN Cc1ccc(CNCc2ccnc(F)c2)cn1 ZINC001651388846 1172949367 /nfs/dbraw/zinc/94/93/67/1172949367.db2.gz NQRBWSOSVRAKAQ-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN C[C@H]1C[C@H](NCc2nccs2)CS1 ZINC000086935507 487593539 /nfs/dbraw/zinc/59/35/39/487593539.db2.gz WBTWWFQSUDRKOK-YUMQZZPRSA-N 0 1 214.359 2.127 20 0 BEADMN CC(C)O[C@H]1C[C@H](NCc2ccon2)C1(C)C ZINC000361235687 167282495 /nfs/dbraw/zinc/28/24/95/167282495.db2.gz DUCNGNPPHCWGKC-RYUDHWBXSA-N 0 1 238.331 2.356 20 0 BEADMN Fc1ccc2nc(NCc3c[nH]nn3)sc2c1 ZINC001651586048 1172962590 /nfs/dbraw/zinc/96/25/90/1172962590.db2.gz OLHUBISSQDTFKF-UHFFFAOYSA-N 0 1 249.274 2.166 20 0 BEADMN CC1(CNC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000674579362 487596748 /nfs/dbraw/zinc/59/67/48/487596748.db2.gz CNHOSNKOTSYRJS-UHFFFAOYSA-N 0 1 243.310 2.022 20 0 BEADMN FC(F)(F)c1cncc(NCc2cnc[nH]2)c1 ZINC001651694801 1172977996 /nfs/dbraw/zinc/97/79/96/1172977996.db2.gz AFGIWSLBFKUEPW-UHFFFAOYSA-N 0 1 242.204 2.436 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000305977434 487605558 /nfs/dbraw/zinc/60/55/58/487605558.db2.gz RHOFRKZURXMTSP-SMDDNHRTSA-N 0 1 235.327 2.392 20 0 BEADMN CC(C)SCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000369503348 167325893 /nfs/dbraw/zinc/32/58/93/167325893.db2.gz KUOBDYZEGZFPOU-NWDGAFQWSA-N 0 1 229.389 2.381 20 0 BEADMN CC(C)SCCN1C[C@@H](C)OC[C@H]1C ZINC000336684233 167327588 /nfs/dbraw/zinc/32/75/88/167327588.db2.gz JJLGGLJWLGAIBU-GHMZBOCLSA-N 0 1 217.378 2.237 20 0 BEADMN Cc1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)co1 ZINC000660700803 409580530 /nfs/dbraw/zinc/58/05/30/409580530.db2.gz MLPUYNCAZYBASM-UPJWGTAASA-N 0 1 248.326 2.030 20 0 BEADMN Cc1nc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)co1 ZINC000660700810 409581357 /nfs/dbraw/zinc/58/13/57/409581357.db2.gz MLPUYNCAZYBASM-YNEHKIRRSA-N 0 1 248.326 2.030 20 0 BEADMN CC1(NC(=O)c2n[nH]c3ccccc32)CC=CC1 ZINC000655228251 409643912 /nfs/dbraw/zinc/64/39/12/409643912.db2.gz YTMUESBLVHSATL-UHFFFAOYSA-N 0 1 241.294 2.401 20 0 BEADMN Cc1nnc([C@H](C)[N@H+](C)C[C@@H]2CC2(C)C)[nH]1 ZINC000662343142 409658272 /nfs/dbraw/zinc/65/82/72/409658272.db2.gz HSPQZMNVYUTOSU-WPRPVWTQSA-N 0 1 222.336 2.152 20 0 BEADMN Nc1cccc(CN2CCO[C@H](C3CCC3)C2)c1 ZINC000660797196 409758142 /nfs/dbraw/zinc/75/81/42/409758142.db2.gz MSYZHUIYTZFMKC-HNNXBMFYSA-N 0 1 246.354 2.270 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660843917 409838249 /nfs/dbraw/zinc/83/82/49/409838249.db2.gz JDJBJQVOHJKEEQ-UHFFFAOYSA-N 0 1 227.308 2.033 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C3CCC3)CCC2)c1C ZINC000655366270 409960015 /nfs/dbraw/zinc/96/00/15/409960015.db2.gz ILCWPEQDZRXXBD-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN C[C@H]1CN(Cc2cccn2C)C2(CCC2)CO1 ZINC000651975549 409966210 /nfs/dbraw/zinc/96/62/10/409966210.db2.gz GHYYQVNYGRIKSD-LBPRGKRZSA-N 0 1 234.343 2.169 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000308947361 409966269 /nfs/dbraw/zinc/96/62/69/409966269.db2.gz VHFIBISLNZXCOD-WDEREUQCSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000662887570 409967132 /nfs/dbraw/zinc/96/71/32/409967132.db2.gz JSMBETVQPGUAKA-GFCCVEGCSA-N 0 1 248.326 2.471 20 0 BEADMN C[C@@H](O)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000658364307 409986952 /nfs/dbraw/zinc/98/69/52/409986952.db2.gz ZNXJTWMMRQEARK-WDMOLILDSA-N 0 1 245.326 2.182 20 0 BEADMN CN(C)c1cccc(CN(C)Cc2cn[nH]c2)c1 ZINC000674752393 487612116 /nfs/dbraw/zinc/61/21/16/487612116.db2.gz OUQQPGXCCSJQDV-UHFFFAOYSA-N 0 1 244.342 2.108 20 0 BEADMN CC[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221387988 487612551 /nfs/dbraw/zinc/61/25/51/487612551.db2.gz QOCYTPOSRMUJNR-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNCCOCCF)o1 ZINC000663340585 410146975 /nfs/dbraw/zinc/14/69/75/410146975.db2.gz QLCVQVHJVNNBPG-ZYHUDNBSSA-N 0 1 241.306 2.479 20 0 BEADMN CC(C)NC(=O)CNCc1cccc(C(C)C)c1 ZINC000663314780 410108428 /nfs/dbraw/zinc/10/84/28/410108428.db2.gz LKSILWYPXXMIHO-UHFFFAOYSA-N 0 1 248.370 2.424 20 0 BEADMN C[N@H+](Cc1occc1C(=O)[O-])C[C@H]1CC1(C)C ZINC000663316772 410108995 /nfs/dbraw/zinc/10/89/95/410108995.db2.gz HDGPCTRSYUDBRO-SECBINFHSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@H](COCC1CC1)NCc1ccco1 ZINC000651981372 410120590 /nfs/dbraw/zinc/12/05/90/410120590.db2.gz JZYWJKBCVBKKAH-SNVBAGLBSA-N 0 1 209.289 2.184 20 0 BEADMN C[C@H](CSC1CCC1)CN1CCOCC1 ZINC001651996785 1173021389 /nfs/dbraw/zinc/02/13/89/1173021389.db2.gz OPQKHXCEKXXJRV-NSHDSACASA-N 0 1 229.389 2.240 20 0 BEADMN CCOc1ccc([C@H](C)NCc2c[nH]nn2)cc1 ZINC000398330071 410323388 /nfs/dbraw/zinc/32/33/88/410323388.db2.gz HLFLBQIJUKORDI-JTQLQIEISA-N 0 1 246.314 2.054 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001652008981 1173023306 /nfs/dbraw/zinc/02/33/06/1173023306.db2.gz VIKUYOLMTACEFW-ZJUUUORDSA-N 0 1 244.285 2.086 20 0 BEADMN OC[C@@H](NCc1c(F)cccc1F)C1CCC1 ZINC000661155484 410308487 /nfs/dbraw/zinc/30/84/87/410308487.db2.gz UVKZVCLAIGATFU-CYBMUJFWSA-N 0 1 241.281 2.215 20 0 BEADMN CC(C)COCCN1CCO[C@@](C)(C2CC2)C1 ZINC000661169349 410315601 /nfs/dbraw/zinc/31/56/01/410315601.db2.gz AJLAORMFOMPTHE-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650789715 410436015 /nfs/dbraw/zinc/43/60/15/410436015.db2.gz OITLBIXQGIBNBV-CQSZACIVSA-N 0 1 245.322 2.224 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc2c1CCC2 ZINC000650790505 410437303 /nfs/dbraw/zinc/43/73/03/410437303.db2.gz JIBBMCRNOOTQGI-UHFFFAOYSA-N 0 1 247.338 2.470 20 0 BEADMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])o1 ZINC000650793874 410441979 /nfs/dbraw/zinc/44/19/79/410441979.db2.gz MOMGVRLZZDDWIT-LDYMZIIASA-N 0 1 223.272 2.026 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CC=CCC1 ZINC000650794558 410444174 /nfs/dbraw/zinc/44/41/74/410444174.db2.gz AKKMTNRSDUBORM-IJLUTSLNSA-N 0 1 223.316 2.280 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cccs2)no1 ZINC000070131149 410699440 /nfs/dbraw/zinc/69/94/40/410699440.db2.gz NJZHKJJTBAWIDD-ZETCQYMHSA-N 0 1 223.301 2.469 20 0 BEADMN CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000655478472 410712030 /nfs/dbraw/zinc/71/20/30/410712030.db2.gz OFQRUFGVSSEBJW-WCQYABFASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1coc(CN)c1 ZINC000187196319 166892287 /nfs/dbraw/zinc/89/22/87/166892287.db2.gz MRRZXLYSQCRTNR-SNVBAGLBSA-N 0 1 238.331 2.293 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nc(C)no1 ZINC000651219403 410868978 /nfs/dbraw/zinc/86/89/78/410868978.db2.gz HNYPKQJHROLPKM-MRVPVSSYSA-N 0 1 211.309 2.292 20 0 BEADMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C ZINC000103294617 410888946 /nfs/dbraw/zinc/88/89/46/410888946.db2.gz XVYGGNSTDYHSSD-SECBINFHSA-N 0 1 202.257 2.354 20 0 BEADMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C ZINC000103294614 410890085 /nfs/dbraw/zinc/89/00/85/410890085.db2.gz CHMUTZCIYFEJEU-VIFPVBQESA-N 0 1 202.257 2.354 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CCCCCF ZINC000341901205 167168405 /nfs/dbraw/zinc/16/84/05/167168405.db2.gz ZONGFFMGXQOIRI-LLVKDONJSA-N 0 1 233.327 2.398 20 0 BEADMN CC(C)OCCCN[C@H](C)c1ccon1 ZINC000308884834 167223736 /nfs/dbraw/zinc/22/37/36/167223736.db2.gz VKOOAEDNMQXUKG-SNVBAGLBSA-N 0 1 212.293 2.140 20 0 BEADMN CC(C)OCCN[C@@H](C)c1ccncc1F ZINC000336750852 167244179 /nfs/dbraw/zinc/24/41/79/167244179.db2.gz VAAJRVBXXQMLJM-JTQLQIEISA-N 0 1 226.295 2.296 20 0 BEADMN CC(C)Oc1ccccc1CN1CCC[C@@H](O)C1 ZINC000055897514 167310996 /nfs/dbraw/zinc/31/09/96/167310996.db2.gz LLMAXRMAVDWALW-CQSZACIVSA-N 0 1 249.354 2.431 20 0 BEADMN CC(C)Sc1ccccc1NC(=O)CN ZINC000083933301 167338879 /nfs/dbraw/zinc/33/88/79/167338879.db2.gz VBBVXRIZZUZZIA-UHFFFAOYSA-N 0 1 224.329 2.084 20 0 BEADMN CC(C)[C@@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000297412864 167351719 /nfs/dbraw/zinc/35/17/19/167351719.db2.gz YKHNMSCBXHRZLN-LLVKDONJSA-N 0 1 245.326 2.243 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176947588 167354116 /nfs/dbraw/zinc/35/41/16/167354116.db2.gz KZLONKRYUDGMFL-LLVKDONJSA-N 0 1 249.358 2.374 20 0 BEADMN CC(C)[C@@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000264658683 167363070 /nfs/dbraw/zinc/36/30/70/167363070.db2.gz UYMUHPYWDOWSOE-SECBINFHSA-N 0 1 221.304 2.059 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268173128 167365629 /nfs/dbraw/zinc/36/56/29/167365629.db2.gz TXNHOYNPBWGBSD-MNOVXSKESA-N 0 1 249.358 2.333 20 0 BEADMN CC(C)[C@@H](C)N(Cc1nccn1C)C1CC1 ZINC000338784701 167371383 /nfs/dbraw/zinc/37/13/83/167371383.db2.gz WTKNGGACPKMBBF-LLVKDONJSA-N 0 1 221.348 2.429 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)nc1 ZINC000397493797 410924787 /nfs/dbraw/zinc/92/47/87/410924787.db2.gz NTBPBNGOJDKFAP-NEPJUHHUSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H](N[C@H](C)CCCCO)C(F)F ZINC000651364363 410953192 /nfs/dbraw/zinc/95/31/92/410953192.db2.gz RINOBQRHTNNDKM-RKDXNWHRSA-N 0 1 209.280 2.171 20 0 BEADMN CCOc1ccc([C@@H](C)NCc2c[nH]nn2)cc1 ZINC000398330072 410957670 /nfs/dbraw/zinc/95/76/70/410957670.db2.gz HLFLBQIJUKORDI-SNVBAGLBSA-N 0 1 246.314 2.054 20 0 BEADMN Cc1cc(F)c(CN[C@@H](CO)CCF)c(F)c1 ZINC000652017236 410982710 /nfs/dbraw/zinc/98/27/10/410982710.db2.gz RCNDOLCUMVCOFH-SECBINFHSA-N 0 1 247.260 2.083 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000087223935 487619778 /nfs/dbraw/zinc/61/97/78/487619778.db2.gz KHRNIOAOSQYBGJ-VIFPVBQESA-N 0 1 222.288 2.010 20 0 BEADMN Cc1nc(CN2CCC3(CCC3)C2)co1 ZINC000659999810 411163166 /nfs/dbraw/zinc/16/31/66/411163166.db2.gz HUZRQUUHZQZKQW-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN c1snnc1CNC[C@@H]1C[C@H]1C1CCC1 ZINC000425357707 411163626 /nfs/dbraw/zinc/16/36/26/411163626.db2.gz SFGRZLZXNLNMPM-ONGXEEELSA-N 0 1 223.345 2.064 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)C2)[nH]1 ZINC000659972448 411151122 /nfs/dbraw/zinc/15/11/22/411151122.db2.gz VFHGNXWNVYCPLZ-GUBZILKMSA-N 0 1 222.336 2.016 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](C)C1 ZINC000123557669 411156937 /nfs/dbraw/zinc/15/69/37/411156937.db2.gz AXLSRMRUVBSGAB-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN COC[C@@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659989119 411158152 /nfs/dbraw/zinc/15/81/52/411158152.db2.gz BZQRMLQROGEXJL-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@@H](C)SC2)s1 ZINC000655750933 411160286 /nfs/dbraw/zinc/16/02/86/411160286.db2.gz HLKXVMCPCVYFQN-APPZFPTMSA-N 0 1 243.401 2.220 20 0 BEADMN COc1ccc(CN(C)[C@@H](C)CCO)c(F)c1 ZINC000652049681 411096441 /nfs/dbraw/zinc/09/64/41/411096441.db2.gz LUKXDWWGYQKBDY-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN OCc1ccc(CN2CC[C@]3(CC3(F)F)C2)o1 ZINC000652063428 411103294 /nfs/dbraw/zinc/10/32/94/411103294.db2.gz LWMVYUIRSOFIPS-NSHDSACASA-N 0 1 243.253 2.003 20 0 BEADMN FC1(F)C[C@]12CCN(Cc1cncs1)C2 ZINC000652063730 411103358 /nfs/dbraw/zinc/10/33/58/411103358.db2.gz SZMGMDYFFKYCIN-VIFPVBQESA-N 0 1 230.283 2.374 20 0 BEADMN CC(C)c1nc(CNc2ccc(F)cn2)n[nH]1 ZINC000294843871 167708413 /nfs/dbraw/zinc/70/84/13/167708413.db2.gz AFKOHDQFHZSWGG-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN F[C@@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000652077771 411109588 /nfs/dbraw/zinc/10/95/88/411109588.db2.gz QHBHGRWBBYVCGQ-SNVBAGLBSA-N 0 1 233.290 2.497 20 0 BEADMN CO[C@H](C)C[N@H+]1CCc2cccc(F)c2C1 ZINC000334371124 411123466 /nfs/dbraw/zinc/12/34/66/411123466.db2.gz WSHQZPPCULIDAL-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CO[C@H](C)CN1CCc2cccc(F)c2C1 ZINC000334371124 411123467 /nfs/dbraw/zinc/12/34/67/411123467.db2.gz WSHQZPPCULIDAL-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](C)CC(C)C ZINC000300848815 411127499 /nfs/dbraw/zinc/12/74/99/411127499.db2.gz FAXXCAGWQXQMET-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC[C@@H](C2CC2)C1 ZINC000653677898 411168990 /nfs/dbraw/zinc/16/89/90/411168990.db2.gz KLTCPKRJYYLDIN-CMPLNLGQSA-N 0 1 246.358 2.242 20 0 BEADMN Cc1nocc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000335983680 411242749 /nfs/dbraw/zinc/24/27/49/411242749.db2.gz UOOMEJDJTGGCFC-IUCAKERBSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000123859148 411177067 /nfs/dbraw/zinc/17/70/67/411177067.db2.gz KXUOIESZWWDHIR-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(Cl)cc2)[nH]1 ZINC000111726625 411177556 /nfs/dbraw/zinc/17/75/56/411177556.db2.gz BVNDBGMQJWTEDW-UHFFFAOYSA-N 0 1 222.675 2.448 20 0 BEADMN CCc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)o1 ZINC000656101753 411178956 /nfs/dbraw/zinc/17/89/56/411178956.db2.gz SVXVWJNCTCEUFE-UHFFFAOYSA-N 0 1 237.299 2.281 20 0 BEADMN CCc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)o1 ZINC000656101753 411178957 /nfs/dbraw/zinc/17/89/57/411178957.db2.gz SVXVWJNCTCEUFE-UHFFFAOYSA-N 0 1 237.299 2.281 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1Cc1cnc[nH]1 ZINC000528773800 411243489 /nfs/dbraw/zinc/24/34/89/411243489.db2.gz RJMCRRQGHNIWBE-MRVPVSSYSA-N 0 1 215.247 2.029 20 0 BEADMN C[C@H]1CC(F)(F)CCN1Cc1cnc[nH]1 ZINC000528773801 411243699 /nfs/dbraw/zinc/24/36/99/411243699.db2.gz RJMCRRQGHNIWBE-QMMMGPOBSA-N 0 1 215.247 2.029 20 0 BEADMN CC1(C)CC[C@@H](CN[C@H]2CCCn3ccnc32)O1 ZINC000655756707 411187613 /nfs/dbraw/zinc/18/76/13/411187613.db2.gz WPXSINMWEVCADE-RYUDHWBXSA-N 0 1 249.358 2.265 20 0 BEADMN CC1(C)CC[C@H](CN[C@H]2CCCn3ccnc32)O1 ZINC000655756705 411187619 /nfs/dbraw/zinc/18/76/19/411187619.db2.gz WPXSINMWEVCADE-NEPJUHHUSA-N 0 1 249.358 2.265 20 0 BEADMN CCC(C)(C)N1CCN(CC(F)(F)F)CC1 ZINC000653809171 411188595 /nfs/dbraw/zinc/18/85/95/411188595.db2.gz QBDRLTSRKHMODR-UHFFFAOYSA-N 0 1 238.297 2.355 20 0 BEADMN CC(C)n1cc([C@H](C)NCc2cncn2C)cn1 ZINC000264816073 167757685 /nfs/dbraw/zinc/75/76/85/167757685.db2.gz CKEWZLQNLPPLES-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN C[C@@H](N[C@H](CO)CCF)c1ccncc1Cl ZINC000652300830 411192186 /nfs/dbraw/zinc/19/21/86/411192186.db2.gz MIRGVQBKZLRUQV-BDAKNGLRSA-N 0 1 246.713 2.106 20 0 BEADMN C[C@@H](N[C@H](CO)CCF)c1cccc(F)c1F ZINC000652303084 411193964 /nfs/dbraw/zinc/19/39/64/411193964.db2.gz NYVOXEHYNZANBO-BDAKNGLRSA-N 0 1 247.260 2.336 20 0 BEADMN COCC1(CN[C@H](C)c2ccon2)CCC1 ZINC000309976160 411194474 /nfs/dbraw/zinc/19/44/74/411194474.db2.gz SXNMYPDEBIDMOF-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN c1nc(C2CC2)ncc1CN1C2CCC1CC2 ZINC000656408851 411244650 /nfs/dbraw/zinc/24/46/50/411244650.db2.gz VIPDKNOVKCMIEZ-UHFFFAOYSA-N 0 1 229.327 2.481 20 0 BEADMN C[C@H](N[C@H](CO)CCF)c1cc(F)ccc1F ZINC000652306546 411196153 /nfs/dbraw/zinc/19/61/53/411196153.db2.gz XRISXIAPSKXCMS-WPRPVWTQSA-N 0 1 247.260 2.336 20 0 BEADMN COc1ccc2c(c1)CN(C[C@@H](OC)C1CC1)C2 ZINC000653834073 411196372 /nfs/dbraw/zinc/19/63/72/411196372.db2.gz COGKPIXAOVPNAY-OAHLLOKOSA-N 0 1 247.338 2.436 20 0 BEADMN CCc1cccc(NC(=O)CN2CCCC2)c1 ZINC000048613426 411206986 /nfs/dbraw/zinc/20/69/86/411206986.db2.gz KPCQONVVCKDZAR-UHFFFAOYSA-N 0 1 232.327 2.283 20 0 BEADMN Cn1ncnc1C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653893341 411212248 /nfs/dbraw/zinc/21/22/48/411212248.db2.gz ZBFGDFQBVAHZKP-ZDUSSCGKSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncnc1CN1CCC[C@H]1CC1CCCC1 ZINC000653893341 411212252 /nfs/dbraw/zinc/21/22/52/411212252.db2.gz ZBFGDFQBVAHZKP-ZDUSSCGKSA-N 0 1 248.374 2.360 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCC2(C)C)c2ncnn21 ZINC000658101573 411246364 /nfs/dbraw/zinc/24/63/64/411246364.db2.gz LTVJLVNAYYIMEK-KXUCPTDWSA-N 0 1 220.320 2.062 20 0 BEADMN COCc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1 ZINC000653903002 411218964 /nfs/dbraw/zinc/21/89/64/411218964.db2.gz CCKFGHZMGLIRAS-GFCCVEGCSA-N 0 1 249.354 2.178 20 0 BEADMN COC[C@@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000656274384 411223389 /nfs/dbraw/zinc/22/33/89/411223389.db2.gz AGOMRLREJXMEHU-NSHDSACASA-N 0 1 235.327 2.293 20 0 BEADMN Cc1cccc(CN(C[C@@H](C)O)C2CC2)c1F ZINC000656280060 411226504 /nfs/dbraw/zinc/22/65/04/411226504.db2.gz SMEGFZQSTXEEFI-LLVKDONJSA-N 0 1 237.318 2.479 20 0 BEADMN COc1ccsc1CN(C[C@@H](C)O)C1CC1 ZINC000656277653 411228241 /nfs/dbraw/zinc/22/82/41/411228241.db2.gz DMQZVFYKHKSODS-SECBINFHSA-N 0 1 241.356 2.102 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000652400975 411229181 /nfs/dbraw/zinc/22/91/81/411229181.db2.gz CQOZLAXDZNPNQK-JOYOIKCWSA-N 0 1 237.274 2.293 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC000652416110 411235815 /nfs/dbraw/zinc/23/58/15/411235815.db2.gz IBAAWXSTTCYVTD-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](CO)C2CCC2)cs1 ZINC000658086607 411237160 /nfs/dbraw/zinc/23/71/60/411237160.db2.gz GLLRZCXTWLXVEU-KWQFWETISA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c(C)c1 ZINC000086807410 411261719 /nfs/dbraw/zinc/26/17/19/411261719.db2.gz ROLHELKWMNVIMZ-GFCCVEGCSA-N 0 1 235.327 2.456 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000086789718 411261760 /nfs/dbraw/zinc/26/17/60/411261760.db2.gz NLWAAMWWXCNKGY-NSHDSACASA-N 0 1 245.278 2.339 20 0 BEADMN CCCCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000656442645 411261800 /nfs/dbraw/zinc/26/18/00/411261800.db2.gz CNAFBOVLOACSJQ-ZDUSSCGKSA-N 0 1 230.315 2.126 20 0 BEADMN CC1(C)C[C@@]1(C)N[C@@H]1CCn2ccnc21 ZINC000658300267 411326948 /nfs/dbraw/zinc/32/69/48/411326948.db2.gz CQQPFRMJPWMOJN-BXKDBHETSA-N 0 1 205.305 2.106 20 0 BEADMN Cc1cc([C@H](C)NC/C=C/CO)oc1C ZINC000658138525 411263538 /nfs/dbraw/zinc/26/35/38/411263538.db2.gz NULXJHMXAIXBOK-YEZKRMTDSA-N 0 1 209.289 2.096 20 0 BEADMN c1csc(CCN[C@H]2CCCn3ccnc32)n1 ZINC000655713717 411267197 /nfs/dbraw/zinc/26/71/97/411267197.db2.gz UMCKXZKVENHFDA-JTQLQIEISA-N 0 1 248.355 2.007 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)n1cc(CNC2CC2)nn1 ZINC000656458598 411267393 /nfs/dbraw/zinc/26/73/93/411267393.db2.gz BXKUGJNOEBXTNZ-BXUZGUMPSA-N 0 1 248.374 2.455 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000658161642 411274902 /nfs/dbraw/zinc/27/49/02/411274902.db2.gz NTDHNMFACOQGOH-DDHJBXDOSA-N 0 1 235.331 2.046 20 0 BEADMN COc1ccc(CN[C@@H]2CCOC2)c(Cl)c1 ZINC000309841020 411276835 /nfs/dbraw/zinc/27/68/35/411276835.db2.gz DEDYQVUVRGAMGX-SNVBAGLBSA-N 0 1 241.718 2.227 20 0 BEADMN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccco1 ZINC000658164743 411277394 /nfs/dbraw/zinc/27/73/94/411277394.db2.gz GXGGSFHKSXTLRJ-WCBMZHEXSA-N 0 1 231.242 2.354 20 0 BEADMN C[N@@H+](CC1CC=CC1)C1(C(=O)[O-])CCCC1 ZINC000659792319 411284816 /nfs/dbraw/zinc/28/48/16/411284816.db2.gz XMEZHYPGVPYZLC-UHFFFAOYSA-N 0 1 223.316 2.282 20 0 BEADMN c1coc([C@@H]2C[C@H]2N[C@H]2CCCn3ccnc32)c1 ZINC000655777104 411287907 /nfs/dbraw/zinc/28/79/07/411287907.db2.gz RILHFWISVYPXRT-GRYCIOLGSA-N 0 1 243.310 2.457 20 0 BEADMN CC1(C)CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649545591 411289662 /nfs/dbraw/zinc/28/96/62/411289662.db2.gz KNPDOFLTYNQVRY-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN c1cc(CN2CC=CCC2)nc2c1CCC2 ZINC000656532251 411289944 /nfs/dbraw/zinc/28/99/44/411289944.db2.gz DURYRCJYNBHVAF-UHFFFAOYSA-N 0 1 214.312 2.332 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659800329 411290559 /nfs/dbraw/zinc/29/05/59/411290559.db2.gz RHBUUBZITMQOIT-ONGXEEELSA-N 0 1 249.285 2.366 20 0 BEADMN C[N@@H+](CC1CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659800952 411291251 /nfs/dbraw/zinc/29/12/51/411291251.db2.gz AYGLNPLYSDUCNB-TXEJJXNPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[C@@H](NC[C@H]2CCC[C@@H](C)O2)c2nccn21 ZINC000658216794 411296691 /nfs/dbraw/zinc/29/66/91/411296691.db2.gz UOXCSFRICVEAMO-UMSGYPCISA-N 0 1 249.358 2.436 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070914590 411299010 /nfs/dbraw/zinc/29/90/10/411299010.db2.gz NFNLBGQNWMEJGR-QMMMGPOBSA-N 0 1 239.237 2.268 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1nccn1C ZINC000658219983 411299124 /nfs/dbraw/zinc/29/91/24/411299124.db2.gz OWIRRGGKOAKAEH-UTUOFQBUSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cc([C@H](C)NC[C@@]2(C)CC2(F)F)nn1C ZINC000658220806 411300423 /nfs/dbraw/zinc/30/04/23/411300423.db2.gz IQKNCEUPWRLBGM-GXSJLCMTSA-N 0 1 243.301 2.424 20 0 BEADMN CCC/C=C\c1nc(C2(N)CCC2)no1 ZINC000656562257 411302363 /nfs/dbraw/zinc/30/23/63/411302363.db2.gz ZEVQTVNEUWBFRV-XQRVVYSFSA-N 0 1 207.277 2.221 20 0 BEADMN CCc1nc([C@H](C)N(C)Cc2ccco2)n[nH]1 ZINC000659816102 411302765 /nfs/dbraw/zinc/30/27/65/411302765.db2.gz OLTDPSUUTGTIIZ-VIFPVBQESA-N 0 1 234.303 2.153 20 0 BEADMN CC(C)C1CN(Cc2cnc(C3CC3)nc2)C1 ZINC000656582371 411304167 /nfs/dbraw/zinc/30/41/67/411304167.db2.gz WDOCJNBQFNMYEH-UHFFFAOYSA-N 0 1 231.343 2.442 20 0 BEADMN CC1(C)CC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000656560516 411304391 /nfs/dbraw/zinc/30/43/91/411304391.db2.gz AAQXERSWLAUBOM-MRVPVSSYSA-N 0 1 221.304 2.311 20 0 BEADMN CC(C)[C@@H](NCC(F)F)C1(CO)CCCC1 ZINC000656589941 411306122 /nfs/dbraw/zinc/30/61/22/411306122.db2.gz NSLOFLUDIOWQAL-LLVKDONJSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H](N[C@]1(C)CC1(C)C)c1nccn1C ZINC000658309558 411330991 /nfs/dbraw/zinc/33/09/91/411330991.db2.gz XFIVLICRCMSGJV-BXKDBHETSA-N 0 1 207.321 2.259 20 0 BEADMN COc1cc(CN(C(C)C)C2CC2)on1 ZINC000659841842 411331268 /nfs/dbraw/zinc/33/12/68/411331268.db2.gz HBNKLNQHGNWHSM-UHFFFAOYSA-N 0 1 210.277 2.056 20 0 BEADMN CC(C)N1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659827047 411309337 /nfs/dbraw/zinc/30/93/37/411309337.db2.gz QPQOBPHDOYGWBT-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1ncccc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000311053484 411310267 /nfs/dbraw/zinc/31/02/67/411310267.db2.gz IOKIFNAKNGGFEY-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000115739722 411312403 /nfs/dbraw/zinc/31/24/03/411312403.db2.gz WHSFFWOFTHUWPA-AAEUAGOBSA-N 0 1 233.311 2.229 20 0 BEADMN Cc1cccc(CC2CN(Cc3cn[nH]c3)C2)c1 ZINC000656648149 411315521 /nfs/dbraw/zinc/31/55/21/411315521.db2.gz DOSURROGHSBAGZ-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN Cc1cc([C@H](C)NC[C@H](CO)CC2CC2)no1 ZINC000658254211 411316096 /nfs/dbraw/zinc/31/60/96/411316096.db2.gz QEVQZCKIHSKCKY-CMPLNLGQSA-N 0 1 238.331 2.042 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1cnccn1 ZINC000656691907 411332103 /nfs/dbraw/zinc/33/21/03/411332103.db2.gz YSYOZQWKALVCRY-IJLUTSLNSA-N 0 1 235.331 2.085 20 0 BEADMN CC1(C)[C@H](CN[C@H]2CCn3ccnc32)C1(F)F ZINC000658280018 411319963 /nfs/dbraw/zinc/31/99/63/411319963.db2.gz CSPYDGALRQHPKZ-IUCAKERBSA-N 0 1 241.285 2.209 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cnccn1)C1CCCC1 ZINC000658316688 411332493 /nfs/dbraw/zinc/33/24/93/411332493.db2.gz RUERACXAVZIHCY-SMDDNHRTSA-N 0 1 249.358 2.332 20 0 BEADMN Oc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656695253 411332878 /nfs/dbraw/zinc/33/28/78/411332878.db2.gz CPSDJKHHRWYNBQ-UHFFFAOYSA-N 0 1 221.275 2.326 20 0 BEADMN CNC(C)(C)c1cn(-c2ccc(C)cc2)nn1 ZINC000656432831 411249942 /nfs/dbraw/zinc/24/99/42/411249942.db2.gz DNSMYECQTXGJLV-UHFFFAOYSA-N 0 1 230.315 2.030 20 0 BEADMN C[C@@H]1CC[C@@H]([NH2+]Cc2ncccc2[O-])CS1 ZINC000655768483 411250443 /nfs/dbraw/zinc/25/04/43/411250443.db2.gz FTFITGXQKMIKFW-NXEZZACHSA-N 0 1 238.356 2.161 20 0 BEADMN O=C([O-])C[N@@H+](CCCCF)C1CCCCC1 ZINC000652482854 411253025 /nfs/dbraw/zinc/25/30/25/411253025.db2.gz XYGZJKGFZORADY-UHFFFAOYSA-N 0 1 231.311 2.455 20 0 BEADMN CCCCOCCN[C@H]1CCCn2ccnc21 ZINC000655702925 411253285 /nfs/dbraw/zinc/25/32/85/411253285.db2.gz GOZYZDJMHXLSHT-LBPRGKRZSA-N 0 1 237.347 2.124 20 0 BEADMN CC(F)(F)CCN[C@@H]1CCCn2ccnc21 ZINC000655772053 411253620 /nfs/dbraw/zinc/25/36/20/411253620.db2.gz RYOZVXNEXBBYLE-SECBINFHSA-N 0 1 229.274 2.353 20 0 BEADMN CNC(C)(C)c1cn(CC2CCCCC2)nn1 ZINC000656445638 411253626 /nfs/dbraw/zinc/25/36/26/411253626.db2.gz QUAZOWUQOPRELU-UHFFFAOYSA-N 0 1 236.363 2.313 20 0 BEADMN CC(C)(C)OCCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000652484387 411254217 /nfs/dbraw/zinc/25/42/17/411254217.db2.gz HXTJKOSRGUKZSG-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccnc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000652483007 411255039 /nfs/dbraw/zinc/25/50/39/411255039.db2.gz YFTRJQVJWRVECN-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cc(CN[C@@H]2CC[C@@H](C)SC2)no1 ZINC000655706960 411257235 /nfs/dbraw/zinc/25/72/35/411257235.db2.gz PXSAISQRJISAPL-NXEZZACHSA-N 0 1 226.345 2.357 20 0 BEADMN CC(C)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488487 411257562 /nfs/dbraw/zinc/25/75/62/411257562.db2.gz UNHLKIAIPGGAIL-UHFFFAOYSA-N 0 1 233.311 2.399 20 0 BEADMN C[C@@H](C[N@@H+](CC1(C)CCC1)C1CC1)C(=O)[O-] ZINC000652488798 411257928 /nfs/dbraw/zinc/25/79/28/411257928.db2.gz MAAOIEHQTKRYCG-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](NC/C=C\CO)c1cc(F)c(F)c(F)c1 ZINC000658134902 411259321 /nfs/dbraw/zinc/25/93/21/411259321.db2.gz SEEJXZISARDSTR-KZUAUGPASA-N 0 1 245.244 2.303 20 0 BEADMN C[C@@H](NC/C=C\CO)c1cc(F)c(F)c(F)c1 ZINC000658134915 411260136 /nfs/dbraw/zinc/26/01/36/411260136.db2.gz SEEJXZISARDSTR-YAJNLLPGSA-N 0 1 245.244 2.303 20 0 BEADMN O[C@H]1C[C@H](N[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000658348466 411349726 /nfs/dbraw/zinc/34/97/26/411349726.db2.gz QKYYYGBXZMYIOA-AVGNSLFASA-N 0 1 249.358 2.144 20 0 BEADMN FC(F)CN1CCN(CCC2CCC2)CC1 ZINC000659861209 411352104 /nfs/dbraw/zinc/35/21/04/411352104.db2.gz RDWHTNWJODDUGY-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN CC[C@H](NC(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000654220050 411353985 /nfs/dbraw/zinc/35/39/85/411353985.db2.gz XWBLTZKHXFCQQE-JQWIXIFHSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1 ZINC000656759657 411354217 /nfs/dbraw/zinc/35/42/17/411354217.db2.gz IXNBPTSPWGXFCT-UHFFFAOYSA-N 0 1 231.295 2.044 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760306 411354434 /nfs/dbraw/zinc/35/44/34/411354434.db2.gz BWBNWBCCGYOJCO-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCCc1ccc(CN2CC(C)(CO)C2)cc1 ZINC000656772309 411355303 /nfs/dbraw/zinc/35/53/03/411355303.db2.gz UFELUUNNGYSVPK-UHFFFAOYSA-N 0 1 233.355 2.453 20 0 BEADMN CCc1ccc(C)nc1NCc1ccnn1C ZINC000656778133 411357858 /nfs/dbraw/zinc/35/78/58/411357858.db2.gz OFBAYZIJFIFFSX-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN CCc1ccc(C)nc1NCc1ncc[nH]1 ZINC000656778202 411358669 /nfs/dbraw/zinc/35/86/69/411358669.db2.gz SCNDYPWCPOFKCX-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCF)[C@H]2CCCC[C@@H]12 ZINC000656767888 411362972 /nfs/dbraw/zinc/36/29/72/411362972.db2.gz WMHUJZVNNHIFHI-TUAOUCFPSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1ccncc1CN1CC2(CC(F)C2)C1 ZINC000656695610 411333643 /nfs/dbraw/zinc/33/36/43/411333643.db2.gz PXAZRQINUDJUBC-UHFFFAOYSA-N 0 1 220.291 2.324 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cn2ccccc2n1 ZINC000658330593 411337931 /nfs/dbraw/zinc/33/79/31/411337931.db2.gz FKLUPCZSDVFKHZ-SUHUHFCYSA-N 0 1 245.326 2.162 20 0 BEADMN CC[C@H](N[C@@H]1C[C@]1(C)OC)c1ccc(F)cn1 ZINC000658331552 411339680 /nfs/dbraw/zinc/33/96/80/411339680.db2.gz KVBGJWNWHURGHA-UHTWSYAYSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1ncc(CN(C)[C@H]2COC(C)(C)C2)s1 ZINC000659845076 411340075 /nfs/dbraw/zinc/34/00/75/411340075.db2.gz HSGQNVSXLWNPEF-SNVBAGLBSA-N 0 1 240.372 2.451 20 0 BEADMN CCc1cccnc1[C@H](C)N[C@@H]1C[C@]1(C)OC ZINC000658333358 411340569 /nfs/dbraw/zinc/34/05/69/411340569.db2.gz WRNWNFSJWFJODW-SUHUHFCYSA-N 0 1 234.343 2.472 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000658334867 411343107 /nfs/dbraw/zinc/34/31/07/411343107.db2.gz VZSKUVYPDMNVDR-WCQGTBRESA-N 0 1 209.289 2.416 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1 ZINC000656761233 411345193 /nfs/dbraw/zinc/34/51/93/411345193.db2.gz PQJYEBBHPPAIDU-UHFFFAOYSA-N 0 1 249.285 2.183 20 0 BEADMN CC1(C)[C@@H]2CN(CC(=O)Nc3ccccc3)C[C@@H]21 ZINC000172957690 168012759 /nfs/dbraw/zinc/01/27/59/168012759.db2.gz SJNJBJNPWQVAHD-BETUJISGSA-N 0 1 244.338 2.213 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cncc(F)c3)C[C@@H]21 ZINC000275112654 168013219 /nfs/dbraw/zinc/01/32/19/168013219.db2.gz GXWWDKFTROYQTF-TXEJJXNPSA-N 0 1 220.291 2.309 20 0 BEADMN CC1(CNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000356332103 168039509 /nfs/dbraw/zinc/03/95/09/168039509.db2.gz OEJNSORMCIUXCH-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCCC[C@@H]12 ZINC000656765271 411348292 /nfs/dbraw/zinc/34/82/92/411348292.db2.gz JHQOHBZQJNAEDD-AEJSXWLSSA-N 0 1 247.285 2.217 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000656765956 411348689 /nfs/dbraw/zinc/34/86/89/411348689.db2.gz PNUKLETWZHPMJI-WOPDTQHZSA-N 0 1 243.347 2.129 20 0 BEADMN CC1(NCc2ncc(Cl)s2)CCOCC1 ZINC000225374924 168063831 /nfs/dbraw/zinc/06/38/31/168063831.db2.gz SWOLMGVBTCFXTI-UHFFFAOYSA-N 0 1 246.763 2.455 20 0 BEADMN C[C@H](CNC(=O)[C@@](C)(N)c1ccccc1)C1CC1 ZINC000125504835 411376949 /nfs/dbraw/zinc/37/69/49/411376949.db2.gz RTPUEWLARVVONS-ABAIWWIYSA-N 0 1 246.354 2.023 20 0 BEADMN CC1=C(C)CN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000336484626 168084323 /nfs/dbraw/zinc/08/43/23/168084323.db2.gz JGOCKIIKJGURTR-UHFFFAOYSA-N 0 1 232.331 2.224 20 0 BEADMN CC1=C(C)CN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000361618373 168084893 /nfs/dbraw/zinc/08/48/93/168084893.db2.gz JAELKHADLLZQJN-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662217210 411378915 /nfs/dbraw/zinc/37/89/15/411378915.db2.gz WWUQOPUYGWPEDG-LBELIVKGSA-N 0 1 237.343 2.075 20 0 BEADMN CC1=CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000281845030 168097104 /nfs/dbraw/zinc/09/71/04/168097104.db2.gz RJMQDCCZIHPYJK-UHFFFAOYSA-N 0 1 233.315 2.325 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1ncn(C)n1 ZINC000276747549 168103594 /nfs/dbraw/zinc/10/35/94/168103594.db2.gz LHPARKYFNUPIRE-RWMBFGLXSA-N 0 1 248.374 2.458 20 0 BEADMN CC1=CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000270031592 168107474 /nfs/dbraw/zinc/10/74/74/168107474.db2.gz BANKAMLLPFMOSD-LLVKDONJSA-N 0 1 245.326 2.008 20 0 BEADMN CCOCCN(C)Cc1cc(C)nc(C)c1 ZINC001652172535 1173039086 /nfs/dbraw/zinc/03/90/86/1173039086.db2.gz SSOWMJSJORHFBG-UHFFFAOYSA-N 0 1 222.332 2.167 20 0 BEADMN Cc1cc([C@@H](C)NCCN2CC=C(C)CC2)no1 ZINC000340496698 168112354 /nfs/dbraw/zinc/11/23/54/168112354.db2.gz JNCGIRJVCLKQRZ-CYBMUJFWSA-N 0 1 249.358 2.286 20 0 BEADMN CC1=CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000339657221 168113512 /nfs/dbraw/zinc/11/35/12/168113512.db2.gz BBDIDBWCNOMCNZ-KRWDZBQOSA-N 0 1 249.379 2.446 20 0 BEADMN CC1=CCN(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000292674202 168116389 /nfs/dbraw/zinc/11/63/89/168116389.db2.gz BQGOKVRZJMLEPN-UHFFFAOYSA-N 0 1 220.320 2.080 20 0 BEADMN CCCCOCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662227071 411381006 /nfs/dbraw/zinc/38/10/06/411381006.db2.gz JUUXSKZWQIRQNS-UHFFFAOYSA-N 0 1 245.363 2.236 20 0 BEADMN CC1=C[C@H](C)CN(Cc2ccnc(C)n2)C1 ZINC000336615523 168127370 /nfs/dbraw/zinc/12/73/70/168127370.db2.gz SZTMPFMMBMHFKN-JTQLQIEISA-N 0 1 217.316 2.183 20 0 BEADMN CC[C@@H]1CN([C@@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000659916635 411381279 /nfs/dbraw/zinc/38/12/79/411381279.db2.gz CTYSPTJHMZZXQV-SDDRHHMPSA-N 0 1 227.348 2.053 20 0 BEADMN CC1CC(NCc2ncnn2-c2ccccc2)C1 ZINC000355224467 168147437 /nfs/dbraw/zinc/14/74/37/168147437.db2.gz RGNGMCVHBWXRHT-UHFFFAOYSA-N 0 1 242.326 2.155 20 0 BEADMN CC1CCC(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC000354291302 168155578 /nfs/dbraw/zinc/15/55/78/168155578.db2.gz IDBRJONRVMQWAJ-BPCQOVAHSA-N 0 1 238.375 2.023 20 0 BEADMN CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000042016365 168176380 /nfs/dbraw/zinc/17/63/80/168176380.db2.gz XGVBGNYURVAZAK-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CC1CCN(C(=O)[C@](C)(N)c2ccccc2)CC1 ZINC000052880928 168176516 /nfs/dbraw/zinc/17/65/16/168176516.db2.gz CBOLNXSJTFPDOU-OAHLLOKOSA-N 0 1 246.354 2.119 20 0 BEADMN CC1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000158866597 168185159 /nfs/dbraw/zinc/18/51/59/168185159.db2.gz KIIJCCUPLALLOF-UHFFFAOYSA-N 0 1 238.356 2.079 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)OC[C@H]1CC ZINC000300064167 168200690 /nfs/dbraw/zinc/20/06/90/168200690.db2.gz LOVJHYCYIQHING-VXGBXAGGSA-N 0 1 227.348 2.245 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356883305 168271659 /nfs/dbraw/zinc/27/16/59/168271659.db2.gz QDQVYIDUQDJLRN-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358707022 168272127 /nfs/dbraw/zinc/27/21/27/168272127.db2.gz KTBLDLRDNVBMDZ-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(CN2CCCOC(C)(C)C2)nc(C)n1 ZINC000659937448 411387688 /nfs/dbraw/zinc/38/76/88/411387688.db2.gz YMMAKBJMWYXNAI-UHFFFAOYSA-N 0 1 249.358 2.094 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2nc(C)cs2)CO1 ZINC000657301635 411455606 /nfs/dbraw/zinc/45/56/06/411455606.db2.gz KIZRHHCFNBGJPA-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)nc1 ZINC000659795422 411456913 /nfs/dbraw/zinc/45/69/13/411456913.db2.gz HXRJCOYIHXHQIR-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799572 411456944 /nfs/dbraw/zinc/45/69/44/411456944.db2.gz FNYPDLDZSCKMML-AVGNSLFASA-N 0 1 231.295 2.154 20 0 BEADMN Cc1ccc(CCNCc2cc3n(n2)CCC3)o1 ZINC000657308790 411457656 /nfs/dbraw/zinc/45/76/56/411457656.db2.gz XJEWPFWRDAVRSZ-UHFFFAOYSA-N 0 1 245.326 2.063 20 0 BEADMN CC1(C)CN(CCOCc2ccccc2)CCO1 ZINC000659812116 411459921 /nfs/dbraw/zinc/45/99/21/411459921.db2.gz KKEWFEFFJCXJGI-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CCc1nnc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000657323838 411464511 /nfs/dbraw/zinc/46/45/11/411464511.db2.gz UCUGUYBRGVDYRO-CHWFTXMASA-N 0 1 235.331 2.471 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)c1ccnc(CN)c1 ZINC000659340463 411399466 /nfs/dbraw/zinc/39/94/66/411399466.db2.gz UOYXYOLEGAQWJC-JTQLQIEISA-N 0 1 249.358 2.095 20 0 BEADMN Cc1ncc(CN[C@H](C)CC(F)(F)F)o1 ZINC000657102843 411406828 /nfs/dbraw/zinc/40/68/28/411406828.db2.gz DOZQTFXOEGODJK-ZCFIWIBFSA-N 0 1 222.210 2.414 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000265335439 411416157 /nfs/dbraw/zinc/41/61/57/411416157.db2.gz UNJBKJOISYOXPZ-NSHDSACASA-N 0 1 235.331 2.308 20 0 BEADMN CC[C@@]1(C)CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000653560755 411422387 /nfs/dbraw/zinc/42/23/87/411422387.db2.gz BQWIQKHHRMYTNP-RISCZKNCSA-N 0 1 248.374 2.462 20 0 BEADMN CCc1nc([C@@H](C)Sc2nncs2)n[nH]1 ZINC000657233540 411423870 /nfs/dbraw/zinc/42/38/70/411423870.db2.gz YQSLZPVQWHXKQT-RXMQYKEDSA-N 0 1 241.345 2.072 20 0 BEADMN CN(CCC(C)(C)C1CC1)Cc1nnc[nH]1 ZINC000653566778 411424101 /nfs/dbraw/zinc/42/41/01/411424101.db2.gz JQKLUKHICNWLOI-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC[C@@H]1OCC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000657244955 411425948 /nfs/dbraw/zinc/42/59/48/411425948.db2.gz LQFOWJHYXZWENA-OCCSQVGLSA-N 0 1 245.326 2.220 20 0 BEADMN Cc1nsc(C)c1CN1CCCOC[C@@H]1C ZINC000653586860 411428019 /nfs/dbraw/zinc/42/80/19/411428019.db2.gz FFKWTTZWXSQTJV-VIFPVBQESA-N 0 1 240.372 2.371 20 0 BEADMN C[C@@H]1CN(CCOCc2ccccc2)[C@@H](C)CO1 ZINC000659821423 411462826 /nfs/dbraw/zinc/46/28/26/411462826.db2.gz NMDDYCYCYJJFLY-UONOGXRCSA-N 0 1 249.354 2.312 20 0 BEADMN CCc1cc(C(=O)N2[C@H](C)CC[C@@H]2CC)n[nH]1 ZINC000271400265 411429790 /nfs/dbraw/zinc/42/97/90/411429790.db2.gz IRMCDWDHPBHGBU-KOLCDFICSA-N 0 1 235.331 2.375 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000654707443 411434574 /nfs/dbraw/zinc/43/45/74/411434574.db2.gz POSRNPAWVQJCPE-NTSWFWBYSA-N 0 1 227.210 2.265 20 0 BEADMN CCC[N@@H+](C)CCc1ccccc1C(=O)[O-] ZINC000123222944 411438726 /nfs/dbraw/zinc/43/87/26/411438726.db2.gz SLQXUZOJWNKUCY-UHFFFAOYSA-N 0 1 221.300 2.269 20 0 BEADMN COCCNCc1cccc(OC2CC2)c1F ZINC000657287843 411447143 /nfs/dbraw/zinc/44/71/43/411447143.db2.gz YPLQPUFYYVFAMZ-UHFFFAOYSA-N 0 1 239.290 2.103 20 0 BEADMN C[C@@H](NCc1cnn2c1CCC2)c1cccnc1 ZINC000657293243 411448945 /nfs/dbraw/zinc/44/89/45/411448945.db2.gz YYZVQVLZMIPWKV-LLVKDONJSA-N 0 1 242.326 2.075 20 0 BEADMN Cc1c[nH]c(CNCCCOc2ccccc2)n1 ZINC000657298113 411454182 /nfs/dbraw/zinc/45/41/82/411454182.db2.gz SCCAPUJFWQBXHF-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN O=C([O-])[C@H]1CSCC[N@H+]1CCCC1CCC1 ZINC000659789395 411454253 /nfs/dbraw/zinc/45/42/53/411454253.db2.gz DGRFJQWKYHTDPU-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCO[C@H](C)C1 ZINC000659811999 411454484 /nfs/dbraw/zinc/45/44/84/411454484.db2.gz MZLQHJHXZZAMRT-ZJUUUORDSA-N 0 1 221.291 2.389 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000659788162 411454675 /nfs/dbraw/zinc/45/46/75/411454675.db2.gz JLSZKWABDMNIRO-LLVKDONJSA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)CCN(Cc1cn(C)cn1)C1CC1 ZINC000659843006 411473523 /nfs/dbraw/zinc/47/35/23/411473523.db2.gz XIKVJIALOQJVBI-UHFFFAOYSA-N 0 1 221.348 2.431 20 0 BEADMN CC1(C)C[C@H](N2CCOc3ccccc3C2)CO1 ZINC000659848958 411475639 /nfs/dbraw/zinc/47/56/39/411475639.db2.gz COJJMKFYGZJDMG-ZDUSSCGKSA-N 0 1 247.338 2.449 20 0 BEADMN CCC[C@@](C)(O)CNCc1nccn1C(C)C ZINC000657360205 411476860 /nfs/dbraw/zinc/47/68/60/411476860.db2.gz YYEBULANIRKSHB-CYBMUJFWSA-N 0 1 239.363 2.105 20 0 BEADMN COC[C@H](C)N(C)Cc1cc(OC)ccc1F ZINC000295515375 411478668 /nfs/dbraw/zinc/47/86/68/411478668.db2.gz ZNPPUIQEJIMIAO-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN CCN(Cc1cc(C)nc(C)n1)C[C@@H]1CCCO1 ZINC000659863709 411481069 /nfs/dbraw/zinc/48/10/69/411481069.db2.gz VBUVGJHEYQMKFV-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc(C)c[nH]2)C12CCC2 ZINC000657375280 411482882 /nfs/dbraw/zinc/48/28/82/411482882.db2.gz FXJQOSQYSIDBCS-NEPJUHHUSA-N 0 1 249.358 2.155 20 0 BEADMN CC[C@H](O)CCCNCc1nccn1C(C)C ZINC000657375454 411483748 /nfs/dbraw/zinc/48/37/48/411483748.db2.gz ZIGQZMFSAVIMBW-LBPRGKRZSA-N 0 1 239.363 2.105 20 0 BEADMN CCCN(Cc1cc(OC)no1)C1CC1 ZINC000659879767 411488403 /nfs/dbraw/zinc/48/84/03/411488403.db2.gz XCSOFNSKRYUFCM-UHFFFAOYSA-N 0 1 210.277 2.058 20 0 BEADMN CC[C@@H]1C[C@H](NCc2nc(C)c(C)s2)CO1 ZINC000657383824 411489289 /nfs/dbraw/zinc/48/92/89/411489289.db2.gz LCMBEBXJIMKGRG-WDEREUQCSA-N 0 1 240.372 2.417 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2nc(C)c[nH]2)C1(C)C ZINC000657384374 411489302 /nfs/dbraw/zinc/48/93/02/411489302.db2.gz LSRPVIBELMBFFT-ZWNOBZJWSA-N 0 1 237.347 2.011 20 0 BEADMN CC(C)n1ccnc1CNC[C@H]1CCCS1 ZINC000657393817 411492722 /nfs/dbraw/zinc/49/27/22/411492722.db2.gz ZGPPCSLKMYCVLB-LLVKDONJSA-N 0 1 239.388 2.449 20 0 BEADMN Cc1c[nH]c(CNC[C@@H](C)c2c(C)noc2C)n1 ZINC000657415466 411500218 /nfs/dbraw/zinc/50/02/18/411500218.db2.gz KIWIMSJESFQWBZ-MRVPVSSYSA-N 0 1 248.330 2.216 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCCO2)[nH]c1C ZINC000657427754 411503566 /nfs/dbraw/zinc/50/35/66/411503566.db2.gz FTGOMKDRWCESDU-RYUDHWBXSA-N 0 1 237.347 2.074 20 0 BEADMN F[C@@H]1CCCC[C@H]1NCc1cnc2n1CCC2 ZINC000657492668 411534387 /nfs/dbraw/zinc/53/43/87/411534387.db2.gz HXAYFGRUVIAIJD-VXGBXAGGSA-N 0 1 237.322 2.200 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000655150394 411505433 /nfs/dbraw/zinc/50/54/33/411505433.db2.gz MCIXTSAOBWENEX-KXNHARMFSA-N 0 1 249.358 2.091 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1coc(C)n1 ZINC000659945057 411506362 /nfs/dbraw/zinc/50/63/62/411506362.db2.gz ZAPBGKGRSCKACR-QWHCGFSZSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1c[nH]c(CNC[C@@H](C)c2nccs2)n1 ZINC000657436385 411509338 /nfs/dbraw/zinc/50/93/38/411509338.db2.gz TYNLGRHQLZRRKS-MRVPVSSYSA-N 0 1 236.344 2.068 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC12CCCC2 ZINC000655162112 411509485 /nfs/dbraw/zinc/50/94/85/411509485.db2.gz IXLVZKGOPWZHMS-NSHDSACASA-N 0 1 247.342 2.133 20 0 BEADMN FC1(F)CC(NCc2ccnn2CC2CC2)C1 ZINC000657449219 411510065 /nfs/dbraw/zinc/51/00/65/411510065.db2.gz RGBAORJITCJRFF-UHFFFAOYSA-N 0 1 241.285 2.180 20 0 BEADMN Cc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(C)o1 ZINC000659955000 411511339 /nfs/dbraw/zinc/51/13/39/411511339.db2.gz GJNIIUTZWLAPDM-PHIMTYICSA-N 0 1 220.316 2.379 20 0 BEADMN COc1cc(CN2CCC[C@H]2C)sn1 ZINC000659970304 411513585 /nfs/dbraw/zinc/51/35/85/411513585.db2.gz IZRKCUPHRROBGI-MRVPVSSYSA-N 0 1 212.318 2.136 20 0 BEADMN COc1cc(CN2C[C@H](C)CC[C@H]2C)on1 ZINC000659970597 411513602 /nfs/dbraw/zinc/51/36/02/411513602.db2.gz KWFAIGSSJUQNGW-NXEZZACHSA-N 0 1 224.304 2.304 20 0 BEADMN COc1cc(CN2C[C@H](C)CC[C@@H]2C)on1 ZINC000659970600 411514169 /nfs/dbraw/zinc/51/41/69/411514169.db2.gz KWFAIGSSJUQNGW-ZJUUUORDSA-N 0 1 224.304 2.304 20 0 BEADMN CCc1nc([C@H](C)N2CCC(C)(C)C2)n[nH]1 ZINC000659974914 411514968 /nfs/dbraw/zinc/51/49/68/411514968.db2.gz LBRQYXXGUMKZGW-VIFPVBQESA-N 0 1 222.336 2.160 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](C(C)C)C2)[nH]1 ZINC000659995330 411522750 /nfs/dbraw/zinc/52/27/50/411522750.db2.gz BRDMPTDHUOYQQT-GHMZBOCLSA-N 0 1 236.363 2.406 20 0 BEADMN c1c(CN2CC[C@]3(CCOC3)C2)onc1C1CC1 ZINC000659998759 411525006 /nfs/dbraw/zinc/52/50/06/411525006.db2.gz SJPSUVWNSYBIEJ-AWEZNQCLSA-N 0 1 248.326 2.164 20 0 BEADMN CC(C)(C)n1cc(CNC2(C)CC=CC2)nn1 ZINC000655816406 411527500 /nfs/dbraw/zinc/52/75/00/411527500.db2.gz WRWUBNAKGHIUBA-UHFFFAOYSA-N 0 1 234.347 2.231 20 0 BEADMN COCC1(CN[C@H](C)c2cscn2)CC1 ZINC000655816872 411527978 /nfs/dbraw/zinc/52/79/78/411527978.db2.gz FROVSEIZJBSVMB-SECBINFHSA-N 0 1 226.345 2.220 20 0 BEADMN CC[C@@](C)(CNCc1nccn1C(C)C)OC ZINC000657480052 411528261 /nfs/dbraw/zinc/52/82/61/411528261.db2.gz QCEBOPQETOSRDI-ZDUSSCGKSA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@@H]1C[C@H](N[C@H]2C[C@@H](C)n3ccnc32)CO1 ZINC000657485088 411530316 /nfs/dbraw/zinc/53/03/16/411530316.db2.gz WXSUPJBRPMSXCP-KXNHARMFSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000657325679 411465278 /nfs/dbraw/zinc/46/52/78/411465278.db2.gz BPLVOZODKDPKHV-VFRUTBLMSA-N 0 1 221.304 2.217 20 0 BEADMN CCN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374149255 170003516 /nfs/dbraw/zinc/00/35/16/170003516.db2.gz RHAPHSDWKJXPHX-CYBMUJFWSA-N 0 1 244.338 2.431 20 0 BEADMN CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121371903 170004704 /nfs/dbraw/zinc/00/47/04/170004704.db2.gz RYJVCAWRRALWSL-CYBMUJFWSA-N 0 1 205.301 2.254 20 0 BEADMN CO[C@@H](CNCc1nc(C)c[nH]1)c1ccccc1 ZINC000657327836 411466234 /nfs/dbraw/zinc/46/62/34/411466234.db2.gz ZKYNJBRYLZUCTB-ZDUSSCGKSA-N 0 1 245.326 2.195 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1noc2ccccc12 ZINC000655854731 411538397 /nfs/dbraw/zinc/53/83/97/411538397.db2.gz TYGQOCWFBSAUFE-VHSXEESVSA-N 0 1 234.299 2.341 20 0 BEADMN Cc1c[nH]c(CN[C@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000657504913 411538827 /nfs/dbraw/zinc/53/88/27/411538827.db2.gz LBQZQBWNWOZHLV-TZMCWYRMSA-N 0 1 249.358 2.155 20 0 BEADMN CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148502 170029896 /nfs/dbraw/zinc/02/98/96/170029896.db2.gz WBVYDADXZODBKF-DGCLKSJQSA-N 0 1 205.301 2.468 20 0 BEADMN CC1=CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660127136 411540990 /nfs/dbraw/zinc/54/09/90/411540990.db2.gz ITQAJYHJOSWFSF-JTQLQIEISA-N 0 1 217.259 2.063 20 0 BEADMN CC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279019550 170041739 /nfs/dbraw/zinc/04/17/39/170041739.db2.gz GLWHBANZAKYCHA-STQMWFEESA-N 0 1 233.311 2.385 20 0 BEADMN CCN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000279019550 170041741 /nfs/dbraw/zinc/04/17/41/170041741.db2.gz GLWHBANZAKYCHA-STQMWFEESA-N 0 1 233.311 2.385 20 0 BEADMN Cc1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)nc1 ZINC000657525998 411542941 /nfs/dbraw/zinc/54/29/41/411542941.db2.gz ZJWYIJPBDPIWMR-CQSZACIVSA-N 0 1 247.386 2.352 20 0 BEADMN CC[C@H](N[C@@H]1CCn2ccnc21)[C@H]1CCCCO1 ZINC000655847147 411535932 /nfs/dbraw/zinc/53/59/32/411535932.db2.gz RFZFWPAURXDDIT-YNEHKIRRSA-N 0 1 249.358 2.265 20 0 BEADMN CO[C@@H](CN(C)Cc1cn[nH]c1)C1CCCC1 ZINC000660093384 411535957 /nfs/dbraw/zinc/53/59/57/411535957.db2.gz YJUKZXRICOSPGK-ZDUSSCGKSA-N 0 1 237.347 2.047 20 0 BEADMN CCCC[C@@](C)(CO)NCc1nc(C)c(C)[nH]1 ZINC000657499098 411536014 /nfs/dbraw/zinc/53/60/14/411536014.db2.gz USOCVSOUMOFXEX-ZDUSSCGKSA-N 0 1 239.363 2.057 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@@H](C)c1csc(C)c1 ZINC000294109746 170088305 /nfs/dbraw/zinc/08/83/05/170088305.db2.gz CRNGMFQZZWWBBO-VHSXEESVSA-N 0 1 240.372 2.232 20 0 BEADMN CCNC(=O)[C@H](C)NCc1ccc2occc2c1 ZINC000285387047 170094884 /nfs/dbraw/zinc/09/48/84/170094884.db2.gz HDGHHGHILYGEDV-JTQLQIEISA-N 0 1 246.310 2.047 20 0 BEADMN Cc1c[nH]c(CN[C@H]2C[C@@H](OC(C)(C)C)C2)n1 ZINC000657500175 411537583 /nfs/dbraw/zinc/53/75/83/411537583.db2.gz LBNMYHLVIAFLGI-PHIMTYICSA-N 0 1 237.347 2.154 20 0 BEADMN C[C@H](NCc1noc2ccccc21)[C@@H]1CCCO1 ZINC000655854765 411537772 /nfs/dbraw/zinc/53/77/72/411537772.db2.gz XPCUHIMESRWYGC-GWCFXTLKSA-N 0 1 246.310 2.485 20 0 BEADMN CCN[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000037536028 170147057 /nfs/dbraw/zinc/14/70/57/170147057.db2.gz BGYOMIVZXQUWHW-ZDUSSCGKSA-N 0 1 231.274 2.315 20 0 BEADMN CC(C)(C)c1ncc(CNC/C=C/CO)s1 ZINC000657592887 411555660 /nfs/dbraw/zinc/55/56/60/411555660.db2.gz NMZJDCAPVDGWNE-SNAWJCMRSA-N 0 1 240.372 2.079 20 0 BEADMN CCN[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000037536029 170163985 /nfs/dbraw/zinc/16/39/85/170163985.db2.gz BGYOMIVZXQUWHW-CYBMUJFWSA-N 0 1 231.274 2.315 20 0 BEADMN c1c(CN[C@]23C[C@H]2CCC3)nnn1C1CCC1 ZINC000657550975 411547658 /nfs/dbraw/zinc/54/76/58/411547658.db2.gz GAQNQNQSRKPXKY-ZWNOBZJWSA-N 0 1 232.331 2.035 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCC(C)(C)OC ZINC000339788924 170186605 /nfs/dbraw/zinc/18/66/05/170186605.db2.gz JLHOYJMFUVQXCY-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)OC[C@H]1CN(CCC2CCC2)CCO1 ZINC000660304404 411566145 /nfs/dbraw/zinc/56/61/45/411566145.db2.gz DCKYENDSIWCQRZ-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN c1coc(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000657629856 411566317 /nfs/dbraw/zinc/56/63/17/411566317.db2.gz MSMZMIRLVBFIRW-JTQLQIEISA-N 0 1 207.273 2.081 20 0 BEADMN Cc1noc(C)c1CN[C@H]1COC2(CCC2)C1 ZINC000657630093 411566357 /nfs/dbraw/zinc/56/63/57/411566357.db2.gz SWNDNJGCJIMKSC-LLVKDONJSA-N 0 1 236.315 2.093 20 0 BEADMN CC(C)=CCCN1CCO[C@H](COC(C)C)C1 ZINC000660308930 411567242 /nfs/dbraw/zinc/56/72/42/411567242.db2.gz ZRRWFHFBRGRKEU-AWEZNQCLSA-N 0 1 241.375 2.469 20 0 BEADMN CCOC(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000035174354 170220181 /nfs/dbraw/zinc/22/01/81/170220181.db2.gz PRMDOSWPEJIITI-NEPJUHHUSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1nocc1CN(C)[C@H](CO)CC(C)C ZINC000660314610 411567366 /nfs/dbraw/zinc/56/73/66/411567366.db2.gz WSDGMFZVSVZPOA-LBPRGKRZSA-N 0 1 240.347 2.076 20 0 BEADMN CCOC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000371618041 170221097 /nfs/dbraw/zinc/22/10/97/170221097.db2.gz CMRYEILAFKYOBM-YPMHNXCESA-N 0 1 225.332 2.062 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)CCC(C)(C)C ZINC000341876800 170246590 /nfs/dbraw/zinc/24/65/90/170246590.db2.gz OXONFUUYFXUSPT-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(C)(C)CC1 ZINC000082761101 170249804 /nfs/dbraw/zinc/24/98/04/170249804.db2.gz RVFKMTHCDVGIOJ-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CO[C@@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC000660244082 411558503 /nfs/dbraw/zinc/55/85/03/411558503.db2.gz CQHKVBUNYHXJQB-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CCOC(=O)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000208231392 170258640 /nfs/dbraw/zinc/25/86/40/170258640.db2.gz DJGSXMRWIZXZHG-AYYIZTPMSA-N 0 1 231.723 2.014 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@H]2C2CC2)co1 ZINC000660251780 411560349 /nfs/dbraw/zinc/56/03/49/411560349.db2.gz IGHJSNDBZBODCO-STQMWFEESA-N 0 1 236.315 2.030 20 0 BEADMN COC[C@H](NCc1nc(C)oc1C)C(C)C ZINC000660254760 411560692 /nfs/dbraw/zinc/56/06/92/411560692.db2.gz UUUBHMSHMPCNRB-LBPRGKRZSA-N 0 1 226.320 2.052 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339681183 170266601 /nfs/dbraw/zinc/26/66/01/170266601.db2.gz YQUKLUVECIAOGT-JQWIXIFHSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660263318 411561562 /nfs/dbraw/zinc/56/15/62/411561562.db2.gz ODYNXFKIROEYFF-BBHBSTQDSA-N 0 1 221.304 2.075 20 0 BEADMN CC[C@H](NCc1nc(C)oc1C)[C@@H]1CCCO1 ZINC000660260931 411561598 /nfs/dbraw/zinc/56/15/98/411561598.db2.gz XDOYCPAAWBWKCJ-AAEUAGOBSA-N 0 1 238.331 2.339 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2ncc(C)o2)n[nH]1 ZINC000660268110 411562346 /nfs/dbraw/zinc/56/23/46/411562346.db2.gz DCIOYDAFRSJHNL-BDAKNGLRSA-N 0 1 249.318 2.075 20 0 BEADMN CCOC(=O)c1coc(CN2C[C@@H]3CCC[C@H]32)c1 ZINC000353651753 170304087 /nfs/dbraw/zinc/30/40/87/170304087.db2.gz CJIXQMSAMKJPNA-GXFFZTMASA-N 0 1 249.310 2.441 20 0 BEADMN Cc1nc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)c(C)o1 ZINC000660367732 411572673 /nfs/dbraw/zinc/57/26/73/411572673.db2.gz MTMWCUFKLSYQKA-BZBKMWRSSA-N 0 1 238.331 2.025 20 0 BEADMN CCOC(C)(C)CN[C@@H](C)c1cc(C)n(C)n1 ZINC000337494777 170313418 /nfs/dbraw/zinc/31/34/18/170313418.db2.gz XWBDUJHPQSTCHX-NSHDSACASA-N 0 1 239.363 2.194 20 0 BEADMN CCOC(CCNCc1cscn1)OCC ZINC000276289630 170314785 /nfs/dbraw/zinc/31/47/85/170314785.db2.gz ZONLWYCUXFWEGI-UHFFFAOYSA-N 0 1 244.360 2.022 20 0 BEADMN C[C@H]1CCC[C@H](CNCc2cscn2)O1 ZINC000657667376 411573182 /nfs/dbraw/zinc/57/31/82/411573182.db2.gz VNZNOFPSWSVHKU-GXSJLCMTSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@H]1CCC[C@@H](CNCc2cscn2)O1 ZINC000657667379 411573237 /nfs/dbraw/zinc/57/32/37/411573237.db2.gz VNZNOFPSWSVHKU-ONGXEEELSA-N 0 1 226.345 2.190 20 0 BEADMN CCOC1(C)CCN(Cc2ccnc(C)n2)CC1 ZINC000353585056 170319386 /nfs/dbraw/zinc/31/93/86/170319386.db2.gz OFVZIOHEXFJSGW-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN CCOC1(C)CCN(Cc2conc2C)CC1 ZINC000353585146 170319434 /nfs/dbraw/zinc/31/94/34/170319434.db2.gz PJNKZWMWKKXLMO-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CC[C@H](CN[C@@H](C)c1ncn(C)n1)CC(F)F ZINC000660370445 411573509 /nfs/dbraw/zinc/57/35/09/411573509.db2.gz CVQYZWNLHCQSRE-IUCAKERBSA-N 0 1 246.305 2.147 20 0 BEADMN CCOC1CC(CN(C)Cc2nccs2)C1 ZINC000286252865 170323781 /nfs/dbraw/zinc/32/37/81/170323781.db2.gz CYDINMKTQJPLOF-UHFFFAOYSA-N 0 1 240.372 2.390 20 0 BEADMN CCOC1CC(CN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000367139471 170324931 /nfs/dbraw/zinc/32/49/31/170324931.db2.gz XWWUYLIEIJTTGL-BPCQOVAHSA-N 0 1 249.358 2.362 20 0 BEADMN CCOC1CC(N[C@H](COC)c2ccco2)C1 ZINC000271790295 170330076 /nfs/dbraw/zinc/33/00/76/170330076.db2.gz IYVOFYZYUWTNRM-HTAVTVPLSA-N 0 1 239.315 2.124 20 0 BEADMN CCOCCC[N@@H+](CC(C)C)C[C@H](C)C(=O)[O-] ZINC000071739204 170371548 /nfs/dbraw/zinc/37/15/48/170371548.db2.gz QBLYSCURSUJFPH-LBPRGKRZSA-N 0 1 245.363 2.092 20 0 BEADMN CCOCCCN1CCn2cccc2[C@@H]1C ZINC000336682515 170374856 /nfs/dbraw/zinc/37/48/56/170374856.db2.gz RXEBMNAETBTOGX-LBPRGKRZSA-N 0 1 222.332 2.291 20 0 BEADMN CCOCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000263649970 170389389 /nfs/dbraw/zinc/38/93/89/170389389.db2.gz BMNFGHQCZZIVBR-HNNXBMFYSA-N 0 1 249.354 2.269 20 0 BEADMN CCOCCN(C)C[C@H]1OCCc2ccccc21 ZINC000263649974 170389423 /nfs/dbraw/zinc/38/94/23/170389423.db2.gz BMNFGHQCZZIVBR-OAHLLOKOSA-N 0 1 249.354 2.269 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CCC1 ZINC000663317281 411623312 /nfs/dbraw/zinc/62/33/12/411623312.db2.gz LFXAWSWXARAJKQ-YFKTTZPYSA-N 0 1 237.343 2.360 20 0 BEADMN CCOCCN(CC)Cc1c(C)noc1C ZINC000107678387 170395368 /nfs/dbraw/zinc/39/53/68/170395368.db2.gz HCHLHNQCRJRDGF-UHFFFAOYSA-N 0 1 226.320 2.150 20 0 BEADMN CCOCCN(CC)Cc1cccc(C)n1 ZINC000336671347 170395921 /nfs/dbraw/zinc/39/59/21/170395921.db2.gz JOPDISRJLFIFEM-UHFFFAOYSA-N 0 1 222.332 2.248 20 0 BEADMN CCOCCN(CC)Cc1ccc(C)o1 ZINC000092537682 170396361 /nfs/dbraw/zinc/39/63/61/170396361.db2.gz UZOZHLQQTZACTD-UHFFFAOYSA-N 0 1 211.305 2.446 20 0 BEADMN CN(Cc1cn(C)cn1)C1CC(C)(C)C1 ZINC000660779114 411627028 /nfs/dbraw/zinc/62/70/28/411627028.db2.gz PSAQHDIQFSIHCM-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN CC(C)c1cnc(CNCCOCCF)s1 ZINC000663341421 411631470 /nfs/dbraw/zinc/63/14/70/411631470.db2.gz OMMFBOIJQIAKJW-UHFFFAOYSA-N 0 1 246.351 2.342 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1csnn1 ZINC000660808364 411642054 /nfs/dbraw/zinc/64/20/54/411642054.db2.gz ONCOIUVLMBWHFT-QEYWKRMJSA-N 0 1 223.345 2.235 20 0 BEADMN C[C@@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1csnn1 ZINC000660808361 411642426 /nfs/dbraw/zinc/64/24/26/411642426.db2.gz ONCOIUVLMBWHFT-DOLQZWNJSA-N 0 1 223.345 2.235 20 0 BEADMN C[C@]1(CNCc2nccs2)CC1(F)F ZINC000657663621 411576301 /nfs/dbraw/zinc/57/63/01/411576301.db2.gz DPCZFFHEKMLNFU-MRVPVSSYSA-N 0 1 218.272 2.278 20 0 BEADMN C[C@@]1(CNCc2nccs2)CC1(F)F ZINC000657663625 411576526 /nfs/dbraw/zinc/57/65/26/411576526.db2.gz DPCZFFHEKMLNFU-QMMMGPOBSA-N 0 1 218.272 2.278 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1cc(C2CC2)no1 ZINC000660414014 411581346 /nfs/dbraw/zinc/58/13/46/411581346.db2.gz NWKVXLZSYIMSMR-RNCFNFMXSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1nc(CN2CCC[C@@](C)(O)CC2)c(C)o1 ZINC000660444547 411585864 /nfs/dbraw/zinc/58/58/64/411585864.db2.gz SHRKGUVFLGMYIJ-CYBMUJFWSA-N 0 1 238.331 2.028 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2coc(C)n2)CC1 ZINC000660450120 411586739 /nfs/dbraw/zinc/58/67/39/411586739.db2.gz CNKXHLKFBVBWRS-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN CCn1ccnc1CNC[C@@H]1C(C)(C)C1(F)F ZINC000657737796 411588050 /nfs/dbraw/zinc/58/80/50/411588050.db2.gz LWSBXPCKWDZKLK-SECBINFHSA-N 0 1 243.301 2.284 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2C(C)(C)C2(F)F)n1 ZINC000657737358 411588314 /nfs/dbraw/zinc/58/83/14/411588314.db2.gz CYOHIXXWQWZFBZ-QMMMGPOBSA-N 0 1 229.274 2.099 20 0 BEADMN Cc1nc(CNC[C@@H]2C(C)(C)C2(F)F)[nH]c1C ZINC000657739294 411588862 /nfs/dbraw/zinc/58/88/62/411588862.db2.gz RCNZKUZRJSTILB-SECBINFHSA-N 0 1 243.301 2.407 20 0 BEADMN Cc1cc(CN[C@@]2(C)CC2(C)C)nn1C ZINC000657760885 411590732 /nfs/dbraw/zinc/59/07/32/411590732.db2.gz BCKKZHGDGUAPRZ-LBPRGKRZSA-N 0 1 207.321 2.007 20 0 BEADMN CC1(C)C[C@@]1(C)NCc1cn(C2CCC2)nn1 ZINC000657761476 411591271 /nfs/dbraw/zinc/59/12/71/411591271.db2.gz LQWQDFPQLUUYPU-CYBMUJFWSA-N 0 1 234.347 2.281 20 0 BEADMN CO[C@@H](CNCc1ncc[nH]1)C1CCCCC1 ZINC000657783574 411594938 /nfs/dbraw/zinc/59/49/38/411594938.db2.gz ZYUUVFQZJPFADB-LBPRGKRZSA-N 0 1 237.347 2.095 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000657788942 411596904 /nfs/dbraw/zinc/59/69/04/411596904.db2.gz ZQLQTPGHAJQKNA-PWSUYJOCSA-N 0 1 245.244 2.371 20 0 BEADMN COc1cccc(CN[C@@H]2C[C@]2(C)OC)c1F ZINC000657790823 411597154 /nfs/dbraw/zinc/59/71/54/411597154.db2.gz XDPMFAGVTZQBRB-YPMHNXCESA-N 0 1 239.290 2.101 20 0 BEADMN c1coc(CCCNCc2cscn2)c1 ZINC000657780657 411597244 /nfs/dbraw/zinc/59/72/44/411597244.db2.gz WIWXYXJFHYDJFL-UHFFFAOYSA-N 0 1 222.313 2.459 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(Cl)o1 ZINC000657790720 411597525 /nfs/dbraw/zinc/59/75/25/411597525.db2.gz ZFUZYNIFJGWYNG-SCZZXKLOSA-N 0 1 215.680 2.200 20 0 BEADMN CO[C@H](CNCc1cc[nH]n1)C1CCCCC1 ZINC000657782172 411598049 /nfs/dbraw/zinc/59/80/49/411598049.db2.gz KXGMHEVFHLYKLA-CYBMUJFWSA-N 0 1 237.347 2.095 20 0 BEADMN C[C@H]1CN(C)C[C@@H]1NCC(F)(F)C(C)(C)C ZINC000657794665 411599726 /nfs/dbraw/zinc/59/97/26/411599726.db2.gz ZQFMMPALLGOBAT-UWVGGRQHSA-N 0 1 234.334 2.208 20 0 BEADMN Cc1cc(F)c(CN[C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000657808583 411600700 /nfs/dbraw/zinc/60/07/00/411600700.db2.gz MIRRNQRFVNANDJ-KYZUINATSA-N 0 1 243.709 2.400 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C[C@H](O)C2)o1 ZINC000657809860 411602137 /nfs/dbraw/zinc/60/21/37/411602137.db2.gz PSILAZRLLIHIMV-DNRKLUKYSA-N 0 1 221.300 2.016 20 0 BEADMN Cc1ccc(CN[C@H]2CCCn3nccc32)cn1 ZINC000657840832 411609904 /nfs/dbraw/zinc/60/99/04/411609904.db2.gz WDFQTABULVZDFO-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN Cc1cc(CN[C@H]2CCCC23CC3)no1 ZINC000657851137 411612347 /nfs/dbraw/zinc/61/23/47/411612347.db2.gz MLTCWEZCQVEXJV-NSHDSACASA-N 0 1 206.289 2.405 20 0 BEADMN COC[C@]1(C)CCN(Cc2nc(C)oc2C)C1 ZINC000660669625 411615579 /nfs/dbraw/zinc/61/55/79/411615579.db2.gz OAZWXRAIZVFMCS-CYBMUJFWSA-N 0 1 238.331 2.150 20 0 BEADMN CC[C@@H](C)C[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660746523 411620890 /nfs/dbraw/zinc/62/08/90/411620890.db2.gz CGZHIANVUPGAQV-SECBINFHSA-N 0 1 237.347 2.361 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nc(C)oc1C ZINC000660755678 411621140 /nfs/dbraw/zinc/62/11/40/411621140.db2.gz RMIOVDDQHZCPKW-DGCLKSJQSA-N 0 1 238.331 2.339 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000663316474 411622742 /nfs/dbraw/zinc/62/27/42/411622742.db2.gz FAKMWWZFLXOOHQ-GHMZBOCLSA-N 0 1 227.348 2.464 20 0 BEADMN C[N@@H+](C[C@@H]1CC1(C)C)CC1(CC(=O)[O-])CC1 ZINC000663316611 411622756 /nfs/dbraw/zinc/62/27/56/411622756.db2.gz GMKYASYTOPGKNU-JTQLQIEISA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317334 411622890 /nfs/dbraw/zinc/62/28/90/411622890.db2.gz LUQHDMXUMGMQGA-RNJOBUHISA-N 0 1 239.359 2.464 20 0 BEADMN C[N@@H+](CCCC(C)(C)C)Cc1n[n-]c(=O)o1 ZINC000660843068 411654199 /nfs/dbraw/zinc/65/41/99/411654199.db2.gz TWYNSYWGJXMSSS-UHFFFAOYSA-N 0 1 227.308 2.033 20 0 BEADMN Cc1cccc([C@H](C)[N@@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660849677 411657845 /nfs/dbraw/zinc/65/78/45/411657845.db2.gz PREFIJTUSMMFKZ-JTQLQIEISA-N 0 1 247.298 2.277 20 0 BEADMN CCc1nc([C@H](C)N2CCCC(F)(F)C2)n[nH]1 ZINC000660914506 411671685 /nfs/dbraw/zinc/67/16/85/411671685.db2.gz ZQBRTTMOKYGVTO-QMMMGPOBSA-N 0 1 244.289 2.159 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927216 411676375 /nfs/dbraw/zinc/67/63/75/411676375.db2.gz XYPRYZYQBKLMIZ-AGIUHOORSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927217 411676820 /nfs/dbraw/zinc/67/68/20/411676820.db2.gz XYPRYZYQBKLMIZ-AVGNSLFASA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H](NCc1coc(C)n1)[C@H]1CCCCO1 ZINC000660926834 411677766 /nfs/dbraw/zinc/67/77/66/411677766.db2.gz SYGNXVGLPJYCRR-QWHCGFSZSA-N 0 1 238.331 2.420 20 0 BEADMN COc1ccnc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660929346 411679947 /nfs/dbraw/zinc/67/99/47/411679947.db2.gz FIXKKIBWAUWHNR-FZMZJTMJSA-N 0 1 232.327 2.465 20 0 BEADMN CCc1nc([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660933602 411684287 /nfs/dbraw/zinc/68/42/87/411684287.db2.gz DAVJFKJGUBAUNP-VWYCJHECSA-N 0 1 234.347 2.303 20 0 BEADMN CC(C)c1noc([C@@H](C)N(C)Cc2cnc[nH]2)n1 ZINC000661086838 411699863 /nfs/dbraw/zinc/69/98/63/411699863.db2.gz JNVSYOINKSQTQV-SECBINFHSA-N 0 1 249.318 2.109 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1csnn1 ZINC000661231509 411737095 /nfs/dbraw/zinc/73/70/95/411737095.db2.gz NFCBERATBRDCAU-MRVPVSSYSA-N 0 1 213.350 2.452 20 0 BEADMN Cc1ccc2c(c1)CN(Cc1cnn(C)c1)CC2 ZINC000661371035 411757468 /nfs/dbraw/zinc/75/74/68/411757468.db2.gz AKCYQBUSYHLFFO-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)Nc2cnccn2)n[nH]1 ZINC000663841983 411759447 /nfs/dbraw/zinc/75/94/47/411759447.db2.gz UPFXBBOPMCLSEM-BDAKNGLRSA-N 0 1 246.318 2.281 20 0 BEADMN Cc1nnc(CN[C@@H]2Cc3ccccc3[C@@H]2C)o1 ZINC000661516768 411793602 /nfs/dbraw/zinc/79/36/02/411793602.db2.gz FERJDSBAIABLSX-TVQRCGJNSA-N 0 1 243.310 2.196 20 0 BEADMN COCCCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661461658 411779464 /nfs/dbraw/zinc/77/94/64/411779464.db2.gz DWPKAPOGJRCGFG-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCc1ccncc1 ZINC000661463265 411780588 /nfs/dbraw/zinc/78/05/88/411780588.db2.gz OLCTVOSQGBVUKG-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)OCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661470356 411782597 /nfs/dbraw/zinc/78/25/97/411782597.db2.gz SBOGVYHHCOVYTA-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)OCCN1CC2(CCC2)OC[C@H]1C ZINC000661470356 411782598 /nfs/dbraw/zinc/78/25/98/411782598.db2.gz SBOGVYHHCOVYTA-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H]1COC2(CCC2)C[N@H+]1C[C@H]1CCCOC1 ZINC000661466467 411783368 /nfs/dbraw/zinc/78/33/68/411783368.db2.gz QPCVOPAKZZMBFJ-CHWSQXEVSA-N 0 1 239.359 2.056 20 0 BEADMN OC[C@H](NCc1nc2ccccc2o1)C1CCC1 ZINC000661153947 411721979 /nfs/dbraw/zinc/72/19/79/411721979.db2.gz KHJVRYUXSSMLML-LBPRGKRZSA-N 0 1 246.310 2.078 20 0 BEADMN C[C@@H]1CCN(CCc2cncs2)C[C@@H]1F ZINC000663691375 411724713 /nfs/dbraw/zinc/72/47/13/411724713.db2.gz ULIJJNCPFAOGQX-KOLCDFICSA-N 0 1 228.336 2.366 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@](C)(C3CC3)C2)O1 ZINC000661170493 411728296 /nfs/dbraw/zinc/72/82/96/411728296.db2.gz XIMZLNRUNJOEMF-BNOWGMLFSA-N 0 1 239.359 2.055 20 0 BEADMN CC[C@@H](NCc1nc(C(C)C)no1)C1CC1 ZINC000661758210 411868075 /nfs/dbraw/zinc/86/80/75/411868075.db2.gz PHNFLHJVXDWRPH-SNVBAGLBSA-N 0 1 223.320 2.471 20 0 BEADMN CC[C@H](COCCc1c[nH]nn1)CC(F)F ZINC000664046573 411826965 /nfs/dbraw/zinc/82/69/65/411826965.db2.gz HEJBLUDGEFRCLY-QMMMGPOBSA-N 0 1 233.262 2.045 20 0 BEADMN CSc1cccc(COCCc2c[nH]nn2)c1 ZINC000664046876 411827169 /nfs/dbraw/zinc/82/71/69/411827169.db2.gz ROFIXEWJZPOMEO-UHFFFAOYSA-N 0 1 249.339 2.286 20 0 BEADMN CC[C@@H](COCCc1c[nH]nn1)CC(F)F ZINC000664046572 411827274 /nfs/dbraw/zinc/82/72/74/411827274.db2.gz HEJBLUDGEFRCLY-MRVPVSSYSA-N 0 1 233.262 2.045 20 0 BEADMN Cc1ncccc1CN(C)CC1=CCCOC1 ZINC000661652090 411828428 /nfs/dbraw/zinc/82/84/28/411828428.db2.gz IYWHBHKGHAPAIJ-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1cccnc1CN(C)CC1=CCCOC1 ZINC000661653047 411830972 /nfs/dbraw/zinc/83/09/72/411830972.db2.gz DEJQJQNAAYANGI-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN CCc1ccc(CN(C)CC2=CCCOC2)nc1 ZINC000661654063 411831133 /nfs/dbraw/zinc/83/11/33/411831133.db2.gz VYYJDRXWKYORFW-UHFFFAOYSA-N 0 1 246.354 2.423 20 0 BEADMN FCC[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000661690422 411838806 /nfs/dbraw/zinc/83/88/06/411838806.db2.gz MYYPUTFBSSOYOB-JTQLQIEISA-N 0 1 239.281 2.340 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](CCF)C2)cn1 ZINC000661688869 411840165 /nfs/dbraw/zinc/84/01/65/411840165.db2.gz JMFJTFRQHQYISW-LBPRGKRZSA-N 0 1 237.322 2.357 20 0 BEADMN Cc1cnc([C@H](C)[N@H+]2C[C@H]3COC[C@]3(C)C2)o1 ZINC000661697325 411842784 /nfs/dbraw/zinc/84/27/84/411842784.db2.gz ASDGZRJRVLFZSF-GVXVVHGQSA-N 0 1 236.315 2.012 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@H]3COC[C@]3(C)C2)o1 ZINC000661697325 411842788 /nfs/dbraw/zinc/84/27/88/411842788.db2.gz ASDGZRJRVLFZSF-GVXVVHGQSA-N 0 1 236.315 2.012 20 0 BEADMN COc1cccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000661695323 411843568 /nfs/dbraw/zinc/84/35/68/411843568.db2.gz GAHNZXBOUINLJE-UKRRQHHQSA-N 0 1 247.338 2.164 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661708101 411851722 /nfs/dbraw/zinc/85/17/22/411851722.db2.gz WTFNUMWANWONOA-YRGRVCCFSA-N 0 1 232.327 2.111 20 0 BEADMN COCC[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661713175 411853436 /nfs/dbraw/zinc/85/34/36/411853436.db2.gz ZEKOXQFYWXMXBU-HNNXBMFYSA-N 0 1 249.354 2.305 20 0 BEADMN COc1cccc([C@]2(C)CC[N@@H+](C[C@@H](C)O)C2)c1 ZINC000661712391 411853450 /nfs/dbraw/zinc/85/34/50/411853450.db2.gz QHTQORBHZUZALY-IUODEOHRSA-N 0 1 249.354 2.039 20 0 BEADMN C[C@H]1CCCC[C@H]1CN(C)Cc1cn(C)nn1 ZINC000661743113 411861820 /nfs/dbraw/zinc/86/18/20/411861820.db2.gz DDFISIRPUKQWSB-RYUDHWBXSA-N 0 1 236.363 2.073 20 0 BEADMN Cc1ncc(CN2CC[C@@H](C)O[C@@H](C)C2)s1 ZINC000661857082 411905010 /nfs/dbraw/zinc/90/50/10/411905010.db2.gz MBCYXZWDLLELBS-ZJUUUORDSA-N 0 1 240.372 2.451 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2ncnn2CC)C1 ZINC000661859843 411907067 /nfs/dbraw/zinc/90/70/67/411907067.db2.gz IQJIMXQZCXIRMR-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(C)n2C)C1 ZINC000661860381 411907500 /nfs/dbraw/zinc/90/75/00/411907500.db2.gz AWPOOKODEMOQAI-ZYHUDNBSSA-N 0 1 236.363 2.134 20 0 BEADMN CCO[C@H]1C[C@H](Nc2ccnc(C)c2Cl)C1 ZINC000664281134 411912319 /nfs/dbraw/zinc/91/23/19/411912319.db2.gz ZSBOWBIJGKNLDQ-MGCOHNPYSA-N 0 1 240.734 2.445 20 0 BEADMN Cc1ccnc(NCCO[C@@H]2CC2(F)F)c1 ZINC000664309638 411918193 /nfs/dbraw/zinc/91/81/93/411918193.db2.gz OAEXWPBEIRUHFX-SECBINFHSA-N 0 1 228.242 2.226 20 0 BEADMN CO[C@H](C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000664317268 411919883 /nfs/dbraw/zinc/91/98/83/411919883.db2.gz FMRDKPKMOWPERM-SECBINFHSA-N 0 1 232.283 2.387 20 0 BEADMN CCC(CC)CCC[N@@H+](C)[C@H](CC)C(N)=O ZINC000662039630 411943130 /nfs/dbraw/zinc/94/31/30/411943130.db2.gz QHAMZGKOWSFKDG-GFCCVEGCSA-N 0 1 228.380 2.399 20 0 BEADMN FC(F)n1ccnc1CN1CC[C@H]2C[C@H]2C1 ZINC000661971170 411927755 /nfs/dbraw/zinc/92/77/55/411927755.db2.gz IDOCQADCJMSLNQ-IUCAKERBSA-N 0 1 227.258 2.120 20 0 BEADMN Cc1ccc(NC(=O)N(C)CC2CN(C)C2)cc1 ZINC000664363387 411930859 /nfs/dbraw/zinc/93/08/59/411930859.db2.gz HYVVSCMOXWGBCI-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN CC[C@H](NCc1nc([C@H](C)OC)no1)C1CC1 ZINC000661757311 411869051 /nfs/dbraw/zinc/86/90/51/411869051.db2.gz BZYRHJOWGHLWAQ-WPRPVWTQSA-N 0 1 239.319 2.055 20 0 BEADMN CC[C@H](NCc1nc(C(F)F)no1)C1CC1 ZINC000661762974 411873058 /nfs/dbraw/zinc/87/30/58/411873058.db2.gz YSDBIBUKHXOPEO-ZETCQYMHSA-N 0 1 231.246 2.285 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1c(F)cccc1F ZINC000661764210 411873286 /nfs/dbraw/zinc/87/32/86/411873286.db2.gz BEZARFSINAKHOJ-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000661774833 411882910 /nfs/dbraw/zinc/88/29/10/411882910.db2.gz STZPRMFMABMCBH-ZYHUDNBSSA-N 0 1 246.310 2.173 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000661774833 411882912 /nfs/dbraw/zinc/88/29/12/411882912.db2.gz STZPRMFMABMCBH-ZYHUDNBSSA-N 0 1 246.310 2.173 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661773882 411883927 /nfs/dbraw/zinc/88/39/27/411883927.db2.gz KMYUSLUSPDFTQB-GXTWGEPZSA-N 0 1 249.354 2.349 20 0 BEADMN c1cc(C2CCN(Cc3cccnc3)CC2)no1 ZINC000662047097 411966604 /nfs/dbraw/zinc/96/66/04/411966604.db2.gz YNOGCBLZJRSBFM-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1cccc(NCCc2cncc(C)n2)n1 ZINC000664485418 411970893 /nfs/dbraw/zinc/97/08/93/411970893.db2.gz FFPNSDVOZQVLAA-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN Cc1ccnc(NCCc2cncc(C)n2)c1 ZINC000664485761 411970937 /nfs/dbraw/zinc/97/09/37/411970937.db2.gz LQHSGVCOJIKMBL-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCc2nccnc2C1 ZINC000662119023 411991035 /nfs/dbraw/zinc/99/10/35/411991035.db2.gz IYIUNFNLFNBBON-NSHDSACASA-N 0 1 219.332 2.269 20 0 BEADMN C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662127730 411995054 /nfs/dbraw/zinc/99/50/54/411995054.db2.gz DFFSJLMCFKAAPT-RDFFEMEHSA-N 0 1 234.347 2.139 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2ccc(C)cn2)n[nH]1 ZINC000664656842 412007028 /nfs/dbraw/zinc/00/70/28/412007028.db2.gz IRIRTOZOQOIRFI-JTQLQIEISA-N 0 1 245.330 2.010 20 0 BEADMN Cc1nnc(CN(CCC2CC2)CC2CC2)n1C ZINC000662180074 412021000 /nfs/dbraw/zinc/02/10/00/412021000.db2.gz ZHJPTURJJZTFKD-UHFFFAOYSA-N 0 1 248.374 2.136 20 0 BEADMN c1c[nH]c(CN(CCC2CC2)CC2CC2)n1 ZINC000662180052 412021016 /nfs/dbraw/zinc/02/10/16/412021016.db2.gz YMTPPSHGPQTDKP-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C(=O)[O-] ZINC000662211722 412025728 /nfs/dbraw/zinc/02/57/28/412025728.db2.gz JHGQGZUTTVBBDG-LBELIVKGSA-N 0 1 237.343 2.075 20 0 BEADMN COC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664825101 412026681 /nfs/dbraw/zinc/02/66/81/412026681.db2.gz GSHFJXKADCWXNY-YPMHNXCESA-N 0 1 234.343 2.499 20 0 BEADMN CC(C)=CCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000662214001 412027017 /nfs/dbraw/zinc/02/70/17/412027017.db2.gz IMTIRNXNBYYJJE-GHMZBOCLSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662213691 412027047 /nfs/dbraw/zinc/02/70/47/412027047.db2.gz FVHJLWQNADAYMU-UJPOAAIJSA-N 0 1 237.343 2.360 20 0 BEADMN C[C@H](CO)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821015 412027619 /nfs/dbraw/zinc/02/76/19/412027619.db2.gz BYAXQNONVBQBDJ-WCQYABFASA-N 0 1 234.343 2.093 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1C(=O)[O-] ZINC000662213428 412028104 /nfs/dbraw/zinc/02/81/04/412028104.db2.gz XIUAVKALGZBQGP-LBELIVKGSA-N 0 1 237.343 2.218 20 0 BEADMN CO[C@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830555 412028449 /nfs/dbraw/zinc/02/84/49/412028449.db2.gz WUGYGCKDSRWHQB-YPMHNXCESA-N 0 1 234.343 2.499 20 0 BEADMN CO[C@@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830554 412028691 /nfs/dbraw/zinc/02/86/91/412028691.db2.gz WUGYGCKDSRWHQB-WCQYABFASA-N 0 1 234.343 2.499 20 0 BEADMN CC[N@@H+](CCCc1ccccc1)[C@H](C)C(=O)[O-] ZINC000662217734 412029994 /nfs/dbraw/zinc/02/99/94/412029994.db2.gz SKHJECMUTNYOGN-GFCCVEGCSA-N 0 1 235.327 2.414 20 0 BEADMN CC(C)=CCC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000662215802 412030163 /nfs/dbraw/zinc/03/01/63/412030163.db2.gz PAILQVZNKWBFBT-NEPJUHHUSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H](C)C(=O)[O-] ZINC000662217501 412030211 /nfs/dbraw/zinc/03/02/11/412030211.db2.gz UUCLIFDCDZJULV-QCNOEVLYSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000284721161 171008104 /nfs/dbraw/zinc/00/81/04/171008104.db2.gz FUXBZQUGFGMKMN-LLVKDONJSA-N 0 1 243.310 2.206 20 0 BEADMN CC[C@@H]1CCN(Cc2nccn2CC)C1 ZINC000125159589 171014858 /nfs/dbraw/zinc/01/48/58/171014858.db2.gz KSHLBOCTMSFFPE-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN CC[C@@H]1CCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000292438046 171022364 /nfs/dbraw/zinc/02/23/64/171022364.db2.gz OFRRLCJDNNOZKX-TZMCWYRMSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@@H]1CCN1Cc1cccc2c1OCO2 ZINC000292897565 171024965 /nfs/dbraw/zinc/02/49/65/171024965.db2.gz ZOJKUSDEVPPVSV-LLVKDONJSA-N 0 1 219.284 2.400 20 0 BEADMN CC[N@@H+](Cc1ccncc1Cl)[C@H](C)C(=O)[O-] ZINC000662214254 412022668 /nfs/dbraw/zinc/02/26/68/412022668.db2.gz FXCSBQZCVFBDGV-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CC[C@@H]1CN(CCOCC(C)C)C[C@H](C)O1 ZINC000336668737 171080108 /nfs/dbraw/zinc/08/01/08/171080108.db2.gz RNICSXYDCRGHLZ-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CN(CC[C@H](O)c2ccccc2)CCO1 ZINC000053932652 171084652 /nfs/dbraw/zinc/08/46/52/171084652.db2.gz VGFBYERMJGGSQX-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1O ZINC000270894762 171087807 /nfs/dbraw/zinc/08/78/07/171087807.db2.gz LUPGSNOHJLCHPC-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCOCC(C)C ZINC000337321755 171112017 /nfs/dbraw/zinc/11/20/17/171112017.db2.gz COFQPMWOLLAZHU-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@H](O)c1ccccc1 ZINC000042240461 171113106 /nfs/dbraw/zinc/11/31/06/171113106.db2.gz PAVCWAMSFVAKSU-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1nc([C@H](C)N2CCNc3ccccc32)n[nH]1 ZINC000662273980 412066245 /nfs/dbraw/zinc/06/62/45/412066245.db2.gz QSOFZHXNNQVJFW-VIFPVBQESA-N 0 1 243.314 2.106 20 0 BEADMN CC[C@@H]1C[C@H](CN(C)Cc2cc[nH]n2)CCO1 ZINC000357001684 171128191 /nfs/dbraw/zinc/12/81/91/171128191.db2.gz XXQUDXUYNHPMKF-DGCLKSJQSA-N 0 1 237.347 2.047 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000333477469 171140066 /nfs/dbraw/zinc/14/00/66/171140066.db2.gz OVCPIQLFIMKWPQ-GMSGAONNSA-N 0 1 247.273 2.230 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(C2CC2)[nH]1 ZINC000185669782 171161305 /nfs/dbraw/zinc/16/13/05/171161305.db2.gz ZDRXKUNAQKKFHI-MWLCHTKSSA-N 0 1 234.347 2.303 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccn2)C1 ZINC000062877584 171198196 /nfs/dbraw/zinc/19/81/96/171198196.db2.gz HJTWCGBALPPKFD-CQSZACIVSA-N 0 1 248.326 2.158 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ccn(C)n2)C1 ZINC000334152656 171202966 /nfs/dbraw/zinc/20/29/66/171202966.db2.gz XPIQRVKZFJHRTQ-LBPRGKRZSA-N 0 1 207.321 2.042 20 0 BEADMN CC[C@@]1(C)COCCN1CCOCC(C)C ZINC000336670830 171204416 /nfs/dbraw/zinc/20/44/16/171204416.db2.gz XGXNMUGVLSCNNI-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@H](C(=O)Nc1cccc(C2CC2)n1)N(C)C ZINC000294010656 171234878 /nfs/dbraw/zinc/23/48/78/171234878.db2.gz VXQMTAZJDPICJP-GFCCVEGCSA-N 0 1 247.342 2.238 20 0 BEADMN CC[C@H](C(=O)Nc1cccc(C)c1)N(C)C ZINC000124421499 171235590 /nfs/dbraw/zinc/23/55/90/171235590.db2.gz PUZYCWAESADEPF-GFCCVEGCSA-N 0 1 220.316 2.274 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000364513123 171237311 /nfs/dbraw/zinc/23/73/11/171237311.db2.gz ZDXGIHDCRKXKFJ-QWHCGFSZSA-N 0 1 249.310 2.003 20 0 BEADMN CC[C@H](C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000264992174 171255822 /nfs/dbraw/zinc/25/58/22/171255822.db2.gz KKMPNGWJMVRGNP-VIFPVBQESA-N 0 1 244.298 2.456 20 0 BEADMN CC[C@H](C)CC(=O)NCCCc1cn[nH]c1C ZINC000167550768 171259811 /nfs/dbraw/zinc/25/98/11/171259811.db2.gz HEQVSGNMRWEROL-JTQLQIEISA-N 0 1 237.347 2.203 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000359888490 171260975 /nfs/dbraw/zinc/26/09/75/171260975.db2.gz TWEILCLDBLZAII-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)CCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000354313450 171265667 /nfs/dbraw/zinc/26/56/67/171265667.db2.gz YOHZQMVNXUBKPK-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H](N)c1ccccc1C ZINC000294985882 171271040 /nfs/dbraw/zinc/27/10/40/171271040.db2.gz HDPLSOWWOQVQHO-SMDDNHRTSA-N 0 1 248.370 2.499 20 0 BEADMN CC[C@H](C)CN1CCNC(=O)[C@H]1c1ccccc1 ZINC000246209927 171281548 /nfs/dbraw/zinc/28/15/48/171281548.db2.gz KBWIDFVOAANRAG-GXTWGEPZSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@H](C)CON=C([O-])Nc1cc[nH+]cc1C ZINC000297901677 171290446 /nfs/dbraw/zinc/29/04/46/171290446.db2.gz XOIGXRCVYQTYBX-VIFPVBQESA-N 0 1 237.303 2.489 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000266411139 171298686 /nfs/dbraw/zinc/29/86/86/171298686.db2.gz ZZEKVUPOHKLAAA-UWVGGRQHSA-N 0 1 249.358 2.453 20 0 BEADMN CC[C@H](C)[N@@H+](CCOCCC(C)C)CC(=O)[O-] ZINC000049267595 171314712 /nfs/dbraw/zinc/31/47/12/171314712.db2.gz GLEAIGSKVMUHRC-LBPRGKRZSA-N 0 1 245.363 2.234 20 0 BEADMN CC[C@H](C)N(CCO)Cc1ccncc1Cl ZINC000336669118 171314790 /nfs/dbraw/zinc/31/47/90/171314790.db2.gz RFZUNQNFYYZZFA-JTQLQIEISA-N 0 1 242.750 2.328 20 0 BEADMN CC[C@H](C)N1CCN(Cc2nccs2)CC1 ZINC000295367521 171319694 /nfs/dbraw/zinc/31/96/94/171319694.db2.gz ZYXHRSSQJQNWOW-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000356760765 171384422 /nfs/dbraw/zinc/38/44/22/171384422.db2.gz FDHBMGSNTZKNQD-LOWDOPEQSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nccc(C)n1 ZINC000336750181 171389486 /nfs/dbraw/zinc/38/94/86/171389486.db2.gz DRHOQTBADSQERU-ONGXEEELSA-N 0 1 207.321 2.309 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@H](C)c1nnc(C)o1 ZINC000248596074 171391415 /nfs/dbraw/zinc/39/14/15/171391415.db2.gz SVDDKJPPAVFELF-XHNCKOQMSA-N 0 1 211.309 2.463 20 0 BEADMN CCNC(=O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662345497 412113483 /nfs/dbraw/zinc/11/34/83/412113483.db2.gz ZNOJTQXZVLGKOT-OAHLLOKOSA-N 0 1 246.354 2.038 20 0 BEADMN Cc1cnc(CN(C)C[C@@H]2CC2(C)C)nc1 ZINC000662346026 412116697 /nfs/dbraw/zinc/11/66/97/412116697.db2.gz QFENNJWCTSVYEH-NSHDSACASA-N 0 1 219.332 2.263 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)[C@H]1C ZINC000665166468 412116867 /nfs/dbraw/zinc/11/68/67/412116867.db2.gz ZRWXENWREBQJNZ-WOPDTQHZSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364144 412123407 /nfs/dbraw/zinc/12/34/07/412123407.db2.gz NPOFHHYMXTUEGY-PSASIEDQSA-N 0 1 207.264 2.139 20 0 BEADMN C[C@@]1(C(F)F)CN(CC2CCC2)CCO1 ZINC000662368150 412125509 /nfs/dbraw/zinc/12/55/09/412125509.db2.gz XTRIHHYLWMTNQU-NSHDSACASA-N 0 1 219.275 2.143 20 0 BEADMN C[C@]1(C(F)F)CN(C2CCCC2)CCO1 ZINC000662372000 412129743 /nfs/dbraw/zinc/12/97/43/412129743.db2.gz OETCTPKKXOYLQU-LLVKDONJSA-N 0 1 219.275 2.285 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)[C@H]1CCC1(C)C ZINC000662551559 412213175 /nfs/dbraw/zinc/21/31/75/412213175.db2.gz DPKZMMFQTJIJSW-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1cccc(C)c1 ZINC000287304011 171533961 /nfs/dbraw/zinc/53/39/61/171533961.db2.gz KVMYNLYXOSYJOL-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CC[C@@H](NCc1cccc(N)c1)c1nccn1C ZINC000665233033 412171525 /nfs/dbraw/zinc/17/15/25/412171525.db2.gz ZRJVJQVVVYNASF-CYBMUJFWSA-N 0 1 244.342 2.243 20 0 BEADMN CC(C)n1cc(CN2CC[C@H](C3CCC3)C2)nn1 ZINC000665290049 412236437 /nfs/dbraw/zinc/23/64/37/412236437.db2.gz HEOLSBDFPMNGOO-ZDUSSCGKSA-N 0 1 248.374 2.481 20 0 BEADMN CC[C@H]1CCN1Cc1ccc(OC)c(O)c1 ZINC000292861390 171638237 /nfs/dbraw/zinc/63/82/37/171638237.db2.gz VJWLKHYISMDEIT-NSHDSACASA-N 0 1 221.300 2.385 20 0 BEADMN Cc1cc(C(F)(F)F)cc(N[C@H](C)C(=O)[O-])[nH+]1 ZINC000662878687 412333234 /nfs/dbraw/zinc/33/32/34/412333234.db2.gz YQFOGHJPQWZCRC-ZCFIWIBFSA-N 0 1 248.204 2.294 20 0 BEADMN Cc1nc(NCC2(C(=O)[O-])CCC2)c(C)c(C)[nH+]1 ZINC000662896929 412338609 /nfs/dbraw/zinc/33/86/09/412338609.db2.gz FAKGLOGHYFFNAS-UHFFFAOYSA-N 0 1 249.314 2.069 20 0 BEADMN C[C@@H](NC(=O)C1(N(C)C)CC1)c1cccs1 ZINC000665374850 412293627 /nfs/dbraw/zinc/29/36/27/412293627.db2.gz ZQZVTVVLKMANLR-SECBINFHSA-N 0 1 238.356 2.020 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H]2C2CCC2)n[nH]1 ZINC000102877776 171750380 /nfs/dbraw/zinc/75/03/80/171750380.db2.gz XPTVNLDHTKFREL-CYBMUJFWSA-N 0 1 247.342 2.377 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C)[C@H]2CC)n[nH]1 ZINC000185404956 171750896 /nfs/dbraw/zinc/75/08/96/171750896.db2.gz PIQJYHWABYAXQW-BXKDBHETSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1nc([C@H]2CN3CCC[C@H]3CO2)sc1C ZINC000663220041 412392101 /nfs/dbraw/zinc/39/21/01/412392101.db2.gz WHFUAJSWUQPDLW-WDEREUQCSA-N 0 1 238.356 2.296 20 0 BEADMN Cc1nc([C@H]2CN3CCC[C@@H]3CO2)sc1C ZINC000663220034 412394973 /nfs/dbraw/zinc/39/49/73/412394973.db2.gz WHFUAJSWUQPDLW-GHMZBOCLSA-N 0 1 238.356 2.296 20 0 BEADMN C1CC12CC(c1nc([C@@H]3CCCN3)no1)C2 ZINC000663251833 412401262 /nfs/dbraw/zinc/40/12/62/412401262.db2.gz SRWOXTSSVKEIIO-VIFPVBQESA-N 0 1 219.288 2.152 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCCF)n1 ZINC000663251723 412401724 /nfs/dbraw/zinc/40/17/24/412401724.db2.gz UTUAZHZUBCCXFS-MRVPVSSYSA-N 0 1 215.272 2.018 20 0 BEADMN NC1(c2noc(C3CC4(CC4)C3)n2)CCCC1 ZINC000663251664 412401771 /nfs/dbraw/zinc/40/17/71/412401771.db2.gz RSAXSRYBVIZWLC-UHFFFAOYSA-N 0 1 233.315 2.455 20 0 BEADMN Cc1noc(C)c1CNCc1ccc(CO)cc1 ZINC000133107894 412411115 /nfs/dbraw/zinc/41/11/15/412411115.db2.gz BNPVOIQERHNMPU-UHFFFAOYSA-N 0 1 246.310 2.074 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)COC)cs1 ZINC000164997347 172006989 /nfs/dbraw/zinc/00/69/89/172006989.db2.gz IZXLLOFYNYWNOX-BDAKNGLRSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc([C@H](C)NC[C@H](C)OC)cs1 ZINC000184712749 172005962 /nfs/dbraw/zinc/00/59/62/172005962.db2.gz QVLVJHDJFKKINF-IUCAKERBSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc2ccc(NC(C)=O)cc2[nH]1 ZINC000026440377 172012716 /nfs/dbraw/zinc/01/27/16/172012716.db2.gz RZRQZSZKFAIXDD-UHFFFAOYSA-N 0 1 203.245 2.084 20 0 BEADMN CCc1ncc(CN2CCC[C@](C)(O)C2)s1 ZINC000271216438 172016717 /nfs/dbraw/zinc/01/67/17/172016717.db2.gz WXBCXQVQBILXBP-LBPRGKRZSA-N 0 1 240.372 2.052 20 0 BEADMN CCN(OC)C(=O)c1ccc(Cl)c(O)c1 ZINC001652222865 1173047727 /nfs/dbraw/zinc/04/77/27/1173047727.db2.gz YKYDPCSMJKMDBX-UHFFFAOYSA-N 0 1 229.663 2.069 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@@H](C)C2)s1 ZINC000309039995 172053239 /nfs/dbraw/zinc/05/32/39/172053239.db2.gz KQUWMAYPQJMLMW-BDAKNGLRSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@H](C)CC2CC2)s1 ZINC000336758408 172053364 /nfs/dbraw/zinc/05/33/64/172053364.db2.gz JUMJTTPNXMJTFB-MRVPVSSYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@H]2CCC[C@H]2CC)o1 ZINC000309994917 172053489 /nfs/dbraw/zinc/05/34/89/172053489.db2.gz BXSOUBNXXJHSIU-ZJUUUORDSA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@@H](C)CC)o1 ZINC000183013763 172054195 /nfs/dbraw/zinc/05/41/95/172054195.db2.gz DBKZENYFYGLXAB-DTWKUNHWSA-N 0 1 211.309 2.156 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000357770359 172063551 /nfs/dbraw/zinc/06/35/51/172063551.db2.gz FWMONVOQCVTEFE-BBBLOLIVSA-N 0 1 235.331 2.281 20 0 BEADMN CCc1noc(-c2cccc(-c3nnc[nH]3)c2)n1 ZINC000349744580 172073108 /nfs/dbraw/zinc/07/31/08/172073108.db2.gz FHITZNOVYBULQT-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN CCc1noc(C)c1CN1CCOC[C@@H](C)C1 ZINC000334144643 172077438 /nfs/dbraw/zinc/07/74/38/172077438.db2.gz ZUEIUPFLQMOQOG-JTQLQIEISA-N 0 1 238.331 2.014 20 0 BEADMN CCc1noc(CC)c1CNCc1ccn(C)c1 ZINC000126565196 172083600 /nfs/dbraw/zinc/08/36/00/172083600.db2.gz IQHFEUYBAWJKQJ-UHFFFAOYSA-N 0 1 247.342 2.428 20 0 BEADMN CCc1nocc1CN(C)CC[C@H](C)F ZINC000339603520 172093311 /nfs/dbraw/zinc/09/33/11/172093311.db2.gz OFSFLXLHNNQCBZ-VIFPVBQESA-N 0 1 214.284 2.417 20 0 BEADMN CCc1nocc1CN1CCCO[C@@H](CC)C1 ZINC000353333761 172097677 /nfs/dbraw/zinc/09/76/77/172097677.db2.gz STYBXNCXSQJHJP-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CCn1c(C)nnc1CN1CC[C@H](CC2CC2)C1 ZINC000339671324 172140029 /nfs/dbraw/zinc/14/00/29/172140029.db2.gz GOTISKOTPGVZED-CYBMUJFWSA-N 0 1 248.374 2.228 20 0 BEADMN CCn1cc(CN[C@H](C)c2cccnc2)cn1 ZINC000050539511 172173840 /nfs/dbraw/zinc/17/38/40/172173840.db2.gz IUAIYLLTTJYWCO-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cc([C@H](C)NCc2cnccc2C)cn1 ZINC000162672889 172197484 /nfs/dbraw/zinc/19/74/84/172197484.db2.gz NKGKTGFKUFDTSQ-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1ccnc1CN1[C@@H](C)CC[C@@H]1C ZINC000123202979 172222971 /nfs/dbraw/zinc/22/29/71/172222971.db2.gz KDECQXGRBLYZDJ-QWRGUYRKSA-N 0 1 207.321 2.276 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1CSC1(C)C ZINC000296267282 172228347 /nfs/dbraw/zinc/22/83/47/172228347.db2.gz BYIFLUGSJDCKGD-ZJUUUORDSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1nccc1CCN1Cc2ccccc2C1 ZINC000357627963 172261294 /nfs/dbraw/zinc/26/12/94/172261294.db2.gz BCNAGHLCIPPDPY-UHFFFAOYSA-N 0 1 241.338 2.461 20 0 BEADMN CCn1nccc1CN(C)[C@H]1C=CCCC1 ZINC000352348658 172264767 /nfs/dbraw/zinc/26/47/67/172264767.db2.gz CJOXHQHXLXAKMB-LBPRGKRZSA-N 0 1 219.332 2.444 20 0 BEADMN CCn1nccc1CN(C)CC[C@@H](C)F ZINC000352342821 172264938 /nfs/dbraw/zinc/26/49/38/172264938.db2.gz YZBUBAOUKBOPNS-SNVBAGLBSA-N 0 1 213.300 2.083 20 0 BEADMN CCn1nccc1CN1CCS[C@@H](C)CC1 ZINC000190695912 172267670 /nfs/dbraw/zinc/26/76/70/172267670.db2.gz YEIGBDUIXFPMKA-NSHDSACASA-N 0 1 239.388 2.230 20 0 BEADMN CCn1ncnc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000336326015 172279130 /nfs/dbraw/zinc/27/91/30/172279130.db2.gz MQGFYRXETBBIBB-VXGBXAGGSA-N 0 1 248.374 2.309 20 0 BEADMN CCn1ncnc1CN[C@H]1CCC12CCCC2 ZINC000359070650 172283581 /nfs/dbraw/zinc/28/35/81/172283581.db2.gz JUUMMKJQIGAWQY-NSHDSACASA-N 0 1 234.347 2.110 20 0 BEADMN CN(C(=O)[C@H]1CCCN1C1CC1)c1ccccc1 ZINC000279753049 172333817 /nfs/dbraw/zinc/33/38/17/172333817.db2.gz QHACCSZMOIXXCV-CQSZACIVSA-N 0 1 244.338 2.276 20 0 BEADMN CN(C(=O)c1cnc[nH]1)[C@@H]1CCc2ccccc21 ZINC000299567281 172346147 /nfs/dbraw/zinc/34/61/47/172346147.db2.gz AXCKCPYDMMTTGI-CYBMUJFWSA-N 0 1 241.294 2.169 20 0 BEADMN CN1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000334141869 173011642 /nfs/dbraw/zinc/01/16/42/173011642.db2.gz LYLDFWVVFQLAJT-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000299542077 173025795 /nfs/dbraw/zinc/02/57/95/173025795.db2.gz VTQGFIFBMSBIEG-CQSZACIVSA-N 0 1 244.338 2.208 20 0 BEADMN CN1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000038276783 173094319 /nfs/dbraw/zinc/09/43/19/173094319.db2.gz YTQAXFTYORYZLY-HNNXBMFYSA-N 0 1 248.345 2.451 20 0 BEADMN CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000058181887 173295159 /nfs/dbraw/zinc/29/51/59/173295159.db2.gz AHWBIEZSYRQPOH-DTWKUNHWSA-N 0 1 240.734 2.125 20 0 BEADMN CNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC000171401765 173297520 /nfs/dbraw/zinc/29/75/20/173297520.db2.gz HRASESAHOGLDAZ-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CNC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000042220977 173303465 /nfs/dbraw/zinc/30/34/65/173303465.db2.gz QHWDZECGSOBTNM-ZJUUUORDSA-N 0 1 246.310 2.218 20 0 BEADMN CNC(=O)c1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000336567595 173311929 /nfs/dbraw/zinc/31/19/29/173311929.db2.gz OUQDQPWCKMBQPM-QWRGUYRKSA-N 0 1 232.327 2.029 20 0 BEADMN CNCc1nc(-c2ccc(F)cc2Cl)no1 ZINC000061845086 173394321 /nfs/dbraw/zinc/39/43/21/173394321.db2.gz LTHPUCDDXDPUNQ-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN COC1(CCNCc2cc(C)on2)CCC1 ZINC000310345077 173989482 /nfs/dbraw/zinc/98/94/82/173989482.db2.gz OYXRHSMVAWZOQT-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN COC1CCC(C)(CNCc2cocn2)CC1 ZINC000355132601 174019965 /nfs/dbraw/zinc/01/99/65/174019965.db2.gz AAAOUXJOIRYORC-UHFFFAOYSA-N 0 1 238.331 2.360 20 0 BEADMN COCCCCCN[C@@H](C)c1nnc(C)s1 ZINC000309984046 174183220 /nfs/dbraw/zinc/18/32/20/174183220.db2.gz XKVNWPIKUVHNOZ-VIFPVBQESA-N 0 1 243.376 2.314 20 0 BEADMN COCCCCN1CCn2cccc2[C@H]1C ZINC000074329663 174193569 /nfs/dbraw/zinc/19/35/69/174193569.db2.gz UXRYLFILTLGRHS-GFCCVEGCSA-N 0 1 222.332 2.291 20 0 BEADMN COCCCCN1CCn2cccc2[C@@H]1C ZINC000074329668 174193662 /nfs/dbraw/zinc/19/36/62/174193662.db2.gz UXRYLFILTLGRHS-LBPRGKRZSA-N 0 1 222.332 2.291 20 0 BEADMN COCCCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070696083 174235135 /nfs/dbraw/zinc/23/51/35/174235135.db2.gz HAKKJMBSJHLHMO-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN COCCCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249738938 174235580 /nfs/dbraw/zinc/23/55/80/174235580.db2.gz HAKKJMBSJHLHMO-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1cccc(OC[C@@H](C)NCc2cc[nH]n2)c1 ZINC000066989186 1173063445 /nfs/dbraw/zinc/06/34/45/1173063445.db2.gz OPIFXSAPODRXQP-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@H]1CC[C@@H](C)C1 ZINC000361627694 174299082 /nfs/dbraw/zinc/29/90/82/174299082.db2.gz FIQWJIQYTDTORN-YPMHNXCESA-N 0 1 237.347 2.047 20 0 BEADMN COCCN(Cc1cc[nH]n1)C[C@H]1CC=CCC1 ZINC000361674588 174299974 /nfs/dbraw/zinc/29/99/74/174299974.db2.gz GNBXQHBPUUEMIZ-ZDUSSCGKSA-N 0 1 249.358 2.214 20 0 BEADMN COCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019881241 174336226 /nfs/dbraw/zinc/33/62/26/174336226.db2.gz QDXDHALJAKVSBP-MWLCHTKSSA-N 0 1 209.289 2.139 20 0 BEADMN COCCN[C@H](C)c1c(F)cccc1F ZINC000019881352 174338833 /nfs/dbraw/zinc/33/88/33/174338833.db2.gz VRTXREBRCCBJIR-MRVPVSSYSA-N 0 1 215.243 2.262 20 0 BEADMN COCCOc1ccccc1CN[C@@H](C)CF ZINC000288562984 174369351 /nfs/dbraw/zinc/36/93/51/174369351.db2.gz YYCKRKANBNDKAX-NSHDSACASA-N 0 1 241.306 2.159 20 0 BEADMN COCCOc1cccc(CN[C@H](C)CF)c1 ZINC000342204848 174370019 /nfs/dbraw/zinc/37/00/19/174370019.db2.gz PRQBIZVUCNRNQK-LLVKDONJSA-N 0 1 241.306 2.159 20 0 BEADMN COCC[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285653166 174384490 /nfs/dbraw/zinc/38/44/90/174384490.db2.gz LUUDUAWCHCHTKO-BDAKNGLRSA-N 0 1 244.285 2.435 20 0 BEADMN COCC[C@@H](NCc1ccn(C)c1)c1ccco1 ZINC000272644344 174393500 /nfs/dbraw/zinc/39/35/00/174393500.db2.gz ZRDLULHOZPOXSS-CYBMUJFWSA-N 0 1 248.326 2.486 20 0 BEADMN COC[C@H](C)NCc1cc(F)c(F)cc1F ZINC000083359502 174548401 /nfs/dbraw/zinc/54/84/01/174548401.db2.gz ISDGBWLXOMZRBW-ZETCQYMHSA-N 0 1 233.233 2.228 20 0 BEADMN FCCNCc1ccc2scnc2c1 ZINC001652337595 1173065351 /nfs/dbraw/zinc/06/53/51/1173065351.db2.gz AZIMXIUWOGUPBT-UHFFFAOYSA-N 0 1 210.277 2.355 20 0 BEADMN C[C@H](CCO)N(C)Cc1ccc(F)c(F)c1F ZINC000668291420 487629218 /nfs/dbraw/zinc/62/92/18/487629218.db2.gz LSTAFWBSRXEUTI-MRVPVSSYSA-N 0 1 247.260 2.307 20 0 BEADMN COc1cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)ccn1 ZINC000340542371 175014024 /nfs/dbraw/zinc/01/40/24/175014024.db2.gz MFXPJWYWFVJZAF-ZJUUUORDSA-N 0 1 246.314 2.225 20 0 BEADMN COc1cc([C@H](C)N[C@H](C)c2cn[nH]c2)ccn1 ZINC000340542365 175016064 /nfs/dbraw/zinc/01/60/64/175016064.db2.gz MFXPJWYWFVJZAF-VHSXEESVSA-N 0 1 246.314 2.225 20 0 BEADMN COc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396628 175039546 /nfs/dbraw/zinc/03/95/46/175039546.db2.gz IFEDNUFUBVDQSX-NSHDSACASA-N 0 1 245.282 2.170 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000006203726 175074424 /nfs/dbraw/zinc/07/44/24/175074424.db2.gz OQVCQMPORGWQIP-GFCCVEGCSA-N 0 1 249.310 2.053 20 0 BEADMN COc1ccc(CNCc2n[nH]cc2C)cc1 ZINC000283856788 175108002 /nfs/dbraw/zinc/10/80/02/175108002.db2.gz DDCRCQOIXUAUMX-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN COc1ccc(CN[C@H]2CCC[C@H]2F)cc1O ZINC000339586329 175112147 /nfs/dbraw/zinc/11/21/47/175112147.db2.gz IKXQZFGBTUQKHR-MNOVXSKESA-N 0 1 239.290 2.381 20 0 BEADMN COc1ccc(F)cc1CN(C)CCCCO ZINC000259070525 175129070 /nfs/dbraw/zinc/12/90/70/175129070.db2.gz RUILDHLWTFYEFH-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN COc1ccc([C@H](C)NCc2c[nH]cn2)cc1 ZINC000112344496 175189038 /nfs/dbraw/zinc/18/90/38/175189038.db2.gz CLYSIKVNQZOINU-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccc2c(c1)[C@@H](NCCF)CC2 ZINC000280886908 175214194 /nfs/dbraw/zinc/21/41/94/175214194.db2.gz BGHSLJACSZFVRO-LBPRGKRZSA-N 0 1 209.264 2.242 20 0 BEADMN COc1cccc(CCCNCc2cocn2)c1 ZINC000192308532 175251358 /nfs/dbraw/zinc/25/13/58/175251358.db2.gz OWWLYFHCPVRLRX-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN COc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000071396682 175311306 /nfs/dbraw/zinc/31/13/06/175311306.db2.gz YMROEHPEOPDCFJ-JTQLQIEISA-N 0 1 245.282 2.170 20 0 BEADMN COc1ccccc1/C=C\CNCCF ZINC000336728352 175315813 /nfs/dbraw/zinc/31/58/13/175315813.db2.gz IBSBSZZFHJCLON-XQRVVYSFSA-N 0 1 209.264 2.268 20 0 BEADMN COc1ccccc1CCCN1CCO[C@H](C)C1 ZINC000182371852 175322100 /nfs/dbraw/zinc/32/21/00/175322100.db2.gz GNTDCLRVUWIUCA-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccccc1CN(C)[C@H]1CCCOC1 ZINC000336707226 175325899 /nfs/dbraw/zinc/32/58/99/175325899.db2.gz OMMBPABHAHENJX-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN COc1ccccc1CN[C@@H](C)c1cnn(C)c1 ZINC000044494353 175329961 /nfs/dbraw/zinc/32/99/61/175329961.db2.gz IVMMVQRWHAZGLY-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000229883801 175331342 /nfs/dbraw/zinc/33/13/42/175331342.db2.gz SFUYQRUKWSLINE-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccccc1[C@@H](C)NCc1cncn1C ZINC000112338597 175344714 /nfs/dbraw/zinc/34/47/14/175344714.db2.gz KJQLVZPQJFPAHG-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccccc1[C@H](C)NCc1cncn1C ZINC000112338595 175352320 /nfs/dbraw/zinc/35/23/20/175352320.db2.gz KJQLVZPQJFPAHG-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccnc(NCc2ccn(C)c2)c1 ZINC000127302621 175366144 /nfs/dbraw/zinc/36/61/44/175366144.db2.gz OZGUYVMLFVULTM-UHFFFAOYSA-N 0 1 217.272 2.041 20 0 BEADMN COc1ccnc(NCc2ccnn2C(C)C)c1 ZINC000279771272 175366274 /nfs/dbraw/zinc/36/62/74/175366274.db2.gz AINCZGXVTYETOC-UHFFFAOYSA-N 0 1 246.314 2.480 20 0 BEADMN COc1ccncc1CNCc1ccccc1 ZINC000306760532 175371724 /nfs/dbraw/zinc/37/17/24/175371724.db2.gz YEBZPABOMBLYBP-UHFFFAOYSA-N 0 1 228.295 2.380 20 0 BEADMN COc1ccsc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335158820 175378773 /nfs/dbraw/zinc/37/87/73/175378773.db2.gz QCKKDKYZVIELCF-IUCAKERBSA-N 0 1 241.381 2.446 20 0 BEADMN COc1cncc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000336390297 175384492 /nfs/dbraw/zinc/38/44/92/175384492.db2.gz YJONRFSFWOWBHP-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN COc1coc(CN(C(C)C)C2CC2)cc1=O ZINC000268617997 175387615 /nfs/dbraw/zinc/38/76/15/175387615.db2.gz HTYPKVPBQHLCMR-UHFFFAOYSA-N 0 1 237.299 2.021 20 0 BEADMN CSC1(CNCc2cscn2)CC1 ZINC000193661004 175452056 /nfs/dbraw/zinc/45/20/56/175452056.db2.gz QMOPRTSKXKJSHI-UHFFFAOYSA-N 0 1 214.359 2.128 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000042437303 175702250 /nfs/dbraw/zinc/70/22/50/175702250.db2.gz UESHKKSDDDMWHD-VIFPVBQESA-N 0 1 241.718 2.493 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCCCC2)s1 ZINC000289267077 176001106 /nfs/dbraw/zinc/00/11/06/176001106.db2.gz NDDUFAVRICHKSJ-SECBINFHSA-N 0 1 226.345 2.182 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1CCN(C)CC1 ZINC000123959230 176012745 /nfs/dbraw/zinc/01/27/45/176012745.db2.gz BECJEFJVVSTLGE-JTQLQIEISA-N 0 1 240.297 2.273 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](O)C1 ZINC000152002726 176014761 /nfs/dbraw/zinc/01/47/61/176014761.db2.gz QZCQNGKVIPFLFI-WPRPVWTQSA-N 0 1 227.254 2.092 20 0 BEADMN C[C@@H](c1cccc(F)c1)N(C)Cc1nnc[nH]1 ZINC000174827314 176017825 /nfs/dbraw/zinc/01/78/25/176017825.db2.gz FCMVVVIIILAENB-VIFPVBQESA-N 0 1 234.278 2.137 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000049818485 176020602 /nfs/dbraw/zinc/02/06/02/176020602.db2.gz JYHRAGGCUGNDFG-MNOVXSKESA-N 0 1 221.300 2.400 20 0 BEADMN C[C@@H](c1ccccc1Cl)N(C)CCO ZINC000058946906 176024141 /nfs/dbraw/zinc/02/41/41/176024141.db2.gz YXCCWQAJVQPVSC-VIFPVBQESA-N 0 1 213.708 2.325 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCc1ccnn1C ZINC000276335082 176026088 /nfs/dbraw/zinc/02/60/88/176026088.db2.gz RTQKMOYUKIXBPC-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CC1=CCCOC1 ZINC000183674029 176026442 /nfs/dbraw/zinc/02/64/42/176026442.db2.gz FWCMLFGURSKUFG-LBPRGKRZSA-N 0 1 232.327 2.421 20 0 BEADMN C[C@@H](c1ccccn1)N(C)CC1=CCCOC1 ZINC000183674029 176026444 /nfs/dbraw/zinc/02/64/44/176026444.db2.gz FWCMLFGURSKUFG-LBPRGKRZSA-N 0 1 232.327 2.421 20 0 BEADMN C[C@@H](O)CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000336652570 176026894 /nfs/dbraw/zinc/02/68/94/176026894.db2.gz INWDOMCZUNRWHJ-NEPJUHHUSA-N 0 1 222.332 2.235 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1COCCO1 ZINC000336709196 176032379 /nfs/dbraw/zinc/03/23/79/176032379.db2.gz WANFPADYUAQPRI-QWRGUYRKSA-N 0 1 241.356 2.156 20 0 BEADMN C[C@@H](c1cccs1)N(C)C(=O)Cc1ccn[nH]1 ZINC000175510442 176032791 /nfs/dbraw/zinc/03/27/91/176032791.db2.gz LGMREMWWSHFGDJ-VIFPVBQESA-N 0 1 249.339 2.233 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000264616340 176034146 /nfs/dbraw/zinc/03/41/46/176034146.db2.gz LVFKZDQBNHWTHA-AAEUAGOBSA-N 0 1 220.316 2.253 20 0 BEADMN C[C@@H](c1cnccn1)N1CCSC(C)(C)C1 ZINC000184610235 176037200 /nfs/dbraw/zinc/03/72/00/176037200.db2.gz SRMFHYDYTZLMSY-JTQLQIEISA-N 0 1 237.372 2.365 20 0 BEADMN C[C@@H]1CCCCN(Cc2nnc3n2CCCC3)C1 ZINC000336544570 176064952 /nfs/dbraw/zinc/06/49/52/176064952.db2.gz JMVSZINKZXZOPW-GFCCVEGCSA-N 0 1 248.374 2.236 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@H](N)c1ccccc1 ZINC000019437791 176068536 /nfs/dbraw/zinc/06/85/36/176068536.db2.gz NHEIHCUBZIFBJT-DGCLKSJQSA-N 0 1 232.327 2.087 20 0 BEADMN C[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000284478116 176069422 /nfs/dbraw/zinc/06/94/22/176069422.db2.gz XAODWAKKZHUWRB-LLVKDONJSA-N 0 1 243.310 2.349 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1nccc(N)n1 ZINC000119984991 176079423 /nfs/dbraw/zinc/07/94/23/176079423.db2.gz WZSICLQJLVHFIG-MNOVXSKESA-N 0 1 234.347 2.069 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)c1ccccc1 ZINC000034651140 176080121 /nfs/dbraw/zinc/08/01/21/176080121.db2.gz WSBQEESNWKTLSS-KWCYVHTRSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNCc1csnn1 ZINC000042858518 176085576 /nfs/dbraw/zinc/08/55/76/176085576.db2.gz LVUVQRBRTSFRRB-ZJUUUORDSA-N 0 1 225.361 2.454 20 0 BEADMN C[C@@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000021805914 176089225 /nfs/dbraw/zinc/08/92/25/176089225.db2.gz BDRDWHLZDWQKDB-RKDXNWHRSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000104359556 176094635 /nfs/dbraw/zinc/09/46/35/176094635.db2.gz IQGQXLZDQQPXSJ-TZMCWYRMSA-N 0 1 246.354 2.335 20 0 BEADMN C[C@@H]1CCCN(CC(=O)c2cccn2C)[C@@H]1C ZINC000050565773 176096382 /nfs/dbraw/zinc/09/63/82/176096382.db2.gz UJGAQYYRBLUOBN-VXGBXAGGSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@@H]1CCCN1C[C@H](O)c1c(F)cccc1F ZINC000076116462 176108954 /nfs/dbraw/zinc/10/89/54/176108954.db2.gz RLUCMSDUFHADED-SKDRFNHKSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC000354292452 176118832 /nfs/dbraw/zinc/11/88/32/176118832.db2.gz VCHZXOZJDITHEQ-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2cnc[nH]2)C1 ZINC000263662962 176120311 /nfs/dbraw/zinc/12/03/11/176120311.db2.gz JDOJRXJSCKJKAA-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2ncccn2)C1 ZINC000054459145 176123938 /nfs/dbraw/zinc/12/39/38/176123938.db2.gz CCDGHJMBPNUCTF-GHMZBOCLSA-N 0 1 205.305 2.145 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2ccncc2C(N)=O)[C@@H]1C ZINC000302218488 176124368 /nfs/dbraw/zinc/12/43/68/176124368.db2.gz KXOGTTOPNXPZHO-CKYFFXLPSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)[C@](C)(N)c1ccccc1 ZINC000071209105 176130414 /nfs/dbraw/zinc/13/04/14/176130414.db2.gz CSCVLBPRHCHVPQ-OSAQELSMSA-N 0 1 246.354 2.165 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)N2CCNC[C@H]2C)C1 ZINC000124499005 176136883 /nfs/dbraw/zinc/13/68/83/176136883.db2.gz ARZLPENEUKHXMM-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000042493590 176140150 /nfs/dbraw/zinc/14/01/50/176140150.db2.gz SBLNQEFCQGDTPZ-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2coc(CN)c2)C1 ZINC000187358600 176143271 /nfs/dbraw/zinc/14/32/71/176143271.db2.gz QOJMCSNIIDIIFS-KOLCDFICSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC000267843902 176163206 /nfs/dbraw/zinc/16/32/06/176163206.db2.gz BCDSFRFRSKOSMH-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@@H]1CO ZINC000189728620 176174084 /nfs/dbraw/zinc/17/40/84/176174084.db2.gz ZRDRHCLRBAUJHK-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000040718641 176175895 /nfs/dbraw/zinc/17/58/95/176175895.db2.gz BGHGFXWVPFIIKZ-SNVBAGLBSA-N 0 1 219.284 2.227 20 0 BEADMN C[C@@H]1CCN(Cc2nnc(-c3ccco3)o2)C1 ZINC000263646313 176178565 /nfs/dbraw/zinc/17/85/65/176178565.db2.gz AQLMGKULBOYPHC-SECBINFHSA-N 0 1 233.271 2.171 20 0 BEADMN C[C@@H]1CC[C@@](CO)(N(C)Cc2nccs2)C1 ZINC000187943695 176219314 /nfs/dbraw/zinc/21/93/14/176219314.db2.gz WCDMVQGKQUSQFN-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC000334467845 176261985 /nfs/dbraw/zinc/26/19/85/176261985.db2.gz WZFHEIVSLLUGFL-RKDXNWHRSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1C(=O)[O-] ZINC000335445606 487633678 /nfs/dbraw/zinc/63/36/78/487633678.db2.gz XPYZDNMZYVTHRQ-QWRGUYRKSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(F)(F)F ZINC000336739135 176282001 /nfs/dbraw/zinc/28/20/01/176282001.db2.gz KXBCOXNWVNKHAD-NQMVMOMDSA-N 0 1 236.281 2.010 20 0 BEADMN C[C@@H]1CN(CC2CCCCCC2)CC[S@]1=O ZINC000336613641 176286132 /nfs/dbraw/zinc/28/61/32/176286132.db2.gz WDOUJRZNJIBEOH-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC=CCC2)C[C@@H](C)S1=O ZINC000361660589 176296974 /nfs/dbraw/zinc/29/69/74/176296974.db2.gz LDNQWTCIUWCEDZ-JHJVBQTASA-N 0 1 241.400 2.184 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1O ZINC000306775524 176303356 /nfs/dbraw/zinc/30/33/56/176303356.db2.gz WYPKVAJBXKHIGL-APPZFPTMSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1CN(Cc2cccnc2)CCS1 ZINC000171690858 176307077 /nfs/dbraw/zinc/30/70/77/176307077.db2.gz MIOQXEIDYVQNCU-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN C[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)[C@@H]1C ZINC000293495628 176314120 /nfs/dbraw/zinc/31/41/20/176314120.db2.gz TZHXNEPIFWBXTQ-YRGRVCCFSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)[C@@H]1C ZINC000293292125 176318193 /nfs/dbraw/zinc/31/81/93/176318193.db2.gz DGKXTAQZLOLLRB-BZPMIXESSA-N 0 1 244.338 2.132 20 0 BEADMN C[C@@H]1COc2ccccc2C[N@H+]1CCCC(=O)[O-] ZINC000262299052 176348134 /nfs/dbraw/zinc/34/81/34/176348134.db2.gz ZFZVHOVNDMYMRL-LLVKDONJSA-N 0 1 249.310 2.134 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cnns2)C1 ZINC000336685273 176366223 /nfs/dbraw/zinc/36/62/23/176366223.db2.gz KQNVYTUOGVCEMK-OPRDCNLKSA-N 0 1 225.361 2.405 20 0 BEADMN CNc1ccccc1CN[C@@H](C)c1n[nH]c(C)n1 ZINC001652387531 1173071530 /nfs/dbraw/zinc/07/15/30/1173071530.db2.gz BPKJUHOOGXGLGZ-VIFPVBQESA-N 0 1 245.330 2.006 20 0 BEADMN C[C@H](NC[C@H](O)CC1CCCC1)c1ccon1 ZINC000355321928 176866168 /nfs/dbraw/zinc/86/61/68/176866168.db2.gz SUWMOGVMGGZDPM-CMPLNLGQSA-N 0 1 238.331 2.266 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000162769646 177015616 /nfs/dbraw/zinc/01/56/16/177015616.db2.gz OWMKAACZIBYQAF-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)c1ncc(CN2CCCCC2)s1 ZINC000289267079 177018758 /nfs/dbraw/zinc/01/87/58/177018758.db2.gz NDDUFAVRICHKSJ-VIFPVBQESA-N 0 1 226.345 2.182 20 0 BEADMN C[C@H](c1c(F)cccc1F)[N@@H+](C)CC(=O)[O-] ZINC000082717666 177032203 /nfs/dbraw/zinc/03/22/03/177032203.db2.gz QUGZLIYQHJBDPL-SSDOTTSWSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cnc[nH]1 ZINC000336385350 177033782 /nfs/dbraw/zinc/03/37/82/177033782.db2.gz DZXNMFFNFSMYEO-SECBINFHSA-N 0 1 247.273 2.382 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](O)C1 ZINC000245516654 177033880 /nfs/dbraw/zinc/03/38/80/177033880.db2.gz QZCQNGKVIPFLFI-PSASIEDQSA-N 0 1 227.254 2.092 20 0 BEADMN C[C@H](c1ccccc1)N1CCO[C@]2(CCOC2)C1 ZINC000185180128 177039686 /nfs/dbraw/zinc/03/96/86/177039686.db2.gz MVVDSNMUWPXCHE-UKRRQHHQSA-N 0 1 247.338 2.239 20 0 BEADMN C[C@H](c1ccccc1Cl)N(C)CCC(N)=O ZINC000058000397 177041138 /nfs/dbraw/zinc/04/11/38/177041138.db2.gz ULGQDCRIOWYLDH-SECBINFHSA-N 0 1 240.734 2.208 20 0 BEADMN C[C@H](c1ccccc1Cl)N(C)CCO ZINC000058946907 177041300 /nfs/dbraw/zinc/04/13/00/177041300.db2.gz YXCCWQAJVQPVSC-SECBINFHSA-N 0 1 213.708 2.325 20 0 BEADMN C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)[O-] ZINC000062015176 177041509 /nfs/dbraw/zinc/04/15/09/177041509.db2.gz CZIMHWTUXGOSQR-MRVPVSSYSA-N 0 1 227.691 2.417 20 0 BEADMN C[C@H](c1cnccn1)N(C)CCc1ccccn1 ZINC000184695311 177050807 /nfs/dbraw/zinc/05/08/07/177050807.db2.gz GROMJFPJLVOWHY-GFCCVEGCSA-N 0 1 242.326 2.107 20 0 BEADMN C[C@H]1C(=O)N(C)CCN1CCC1CCCCC1 ZINC000361602624 177057768 /nfs/dbraw/zinc/05/77/68/177057768.db2.gz KBIMLMBBCWQUQW-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1C[C@](C)(O)C(F)(F)F ZINC000335193938 177063844 /nfs/dbraw/zinc/06/38/44/177063844.db2.gz XBCFANBXNRMJGP-WPRPVWTQSA-N 0 1 239.281 2.420 20 0 BEADMN C[C@H]1CC/C(=C\C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000364118189 177066659 /nfs/dbraw/zinc/06/66/59/177066659.db2.gz CFOZOIUSCGMQHE-OBXSFPAYSA-N 0 1 248.370 2.086 20 0 BEADMN C[C@H]1CCCCCN1Cc1ncccn1 ZINC000336634225 177069983 /nfs/dbraw/zinc/06/99/83/177069983.db2.gz KTEHTCMAZJACCK-NSHDSACASA-N 0 1 205.305 2.241 20 0 BEADMN C[C@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000284478119 177074317 /nfs/dbraw/zinc/07/43/17/177074317.db2.gz XAODWAKKZHUWRB-NSHDSACASA-N 0 1 243.310 2.349 20 0 BEADMN C[C@H]1CCCC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000031945145 177076207 /nfs/dbraw/zinc/07/62/07/177076207.db2.gz FBWHVTQWCBZZRH-QMMMGPOBSA-N 0 1 240.328 2.216 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000031945145 177076209 /nfs/dbraw/zinc/07/62/09/177076209.db2.gz FBWHVTQWCBZZRH-QMMMGPOBSA-N 0 1 240.328 2.216 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000112976602 177080352 /nfs/dbraw/zinc/08/03/52/177080352.db2.gz AFLASDRCVFWYJA-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000336624394 177088025 /nfs/dbraw/zinc/08/80/25/177088025.db2.gz IIRDOTLNVGNBEE-WDEREUQCSA-N 0 1 249.358 2.382 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1CCCCC(=O)[O-] ZINC000050565456 177098071 /nfs/dbraw/zinc/09/80/71/177098071.db2.gz CEUXZBZYGBEIPN-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC[C@H](C)C2)s1 ZINC000289096664 177100954 /nfs/dbraw/zinc/10/09/54/177100954.db2.gz LSMYQWYJGSNOOR-UWVGGRQHSA-N 0 1 240.372 2.428 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccs2)[C@H]1C(=O)[O-] ZINC000300228672 177101349 /nfs/dbraw/zinc/10/13/49/177101349.db2.gz RVRHYAIAMGSGMW-GXSJLCMTSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276361981 177101546 /nfs/dbraw/zinc/10/15/46/177101546.db2.gz MSZBYXXQQBGLGY-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN C[C@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000154444159 177109676 /nfs/dbraw/zinc/10/96/76/177109676.db2.gz YVNOPWQQAZNDBB-NSHDSACASA-N 0 1 218.300 2.109 20 0 BEADMN C[C@H]1CCCN1Cc1nc(N)c2ccccc2n1 ZINC000072875442 177110246 /nfs/dbraw/zinc/11/02/46/177110246.db2.gz SHNLLKJJFQMTCS-JTQLQIEISA-N 0 1 242.326 2.196 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1Cc1nnnn1C1CC1 ZINC000125432531 177114902 /nfs/dbraw/zinc/11/49/02/177114902.db2.gz WNESGXZHJQBDRB-WDEREUQCSA-N 0 1 249.362 2.019 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)[C@H]1CCCN1C ZINC000346356085 177117264 /nfs/dbraw/zinc/11/72/64/177117264.db2.gz CEFLAVBVFFYYNO-XQHKEYJVSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000078830918 177120246 /nfs/dbraw/zinc/12/02/46/177120246.db2.gz LWSPJEVODPTVAB-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)C(=O)c2cnc[nH]2)C1 ZINC000263662969 177120647 /nfs/dbraw/zinc/12/06/47/177120647.db2.gz JDOJRXJSCKJKAA-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCC[C@H](COCCc2c[nH]nn2)C1 ZINC000331239318 177134342 /nfs/dbraw/zinc/13/43/42/177134342.db2.gz JZYLFPZUWFEECA-QWRGUYRKSA-N 0 1 223.320 2.190 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000281936437 177135303 /nfs/dbraw/zinc/13/53/03/177135303.db2.gz RVWMRHCRUQYFNE-RYUDHWBXSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112827402 177141266 /nfs/dbraw/zinc/14/12/66/177141266.db2.gz XSAUSDJIAPONDW-GXSJLCMTSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@H]1CCN(C(=O)[C@](C)(N)c2ccccc2)[C@H]1C ZINC000192507198 177152098 /nfs/dbraw/zinc/15/20/98/177152098.db2.gz WPNBCLPCIUXSAC-SLEUVZQESA-N 0 1 246.354 2.117 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)cc2F)[C@@H]1CO ZINC000189739287 177164250 /nfs/dbraw/zinc/16/42/50/177164250.db2.gz YCJMFUUUXYEZSD-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN[C@H](c2nc(-c3ccco3)no2)C1 ZINC000127973446 177176338 /nfs/dbraw/zinc/17/63/38/177176338.db2.gz OPWRQHVOJIHMDH-IUCAKERBSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@H]1CCOCCN1CCC(=O)c1ccccc1 ZINC000367857016 177177435 /nfs/dbraw/zinc/17/74/35/177177435.db2.gz MQBVBIGUWHNDDG-ZDUSSCGKSA-N 0 1 247.338 2.370 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc[nH]n3)C2)C1 ZINC000336428030 177208295 /nfs/dbraw/zinc/20/82/95/177208295.db2.gz GDRZDKBIBDJJJA-AAEUAGOBSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@H]1CC[C@]2(CCN(Cc3cc[nH]n3)C2)C1 ZINC000336428030 177208297 /nfs/dbraw/zinc/20/82/97/177208297.db2.gz GDRZDKBIBDJJJA-AAEUAGOBSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1CN(CCC(C)(C)C)C[C@H](C)[S@@]1=O ZINC000335934999 177246531 /nfs/dbraw/zinc/24/65/31/177246531.db2.gz WRHFELVXYKCYEJ-QHBPRCKVSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000334467844 177228012 /nfs/dbraw/zinc/22/80/12/177228012.db2.gz WZFHEIVSLLUGFL-IUCAKERBSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(CC2CCCCCC2)CC[S@@]1=O ZINC000336613638 177246455 /nfs/dbraw/zinc/24/64/55/177246455.db2.gz WDOUJRZNJIBEOH-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@H](C)N1C ZINC000354436914 177261871 /nfs/dbraw/zinc/26/18/71/177261871.db2.gz DILDFLDDLHXXCQ-UWVGGRQHSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1CN([C@@H]2CCOC2)Cc2ccccc2O1 ZINC000292554547 177275720 /nfs/dbraw/zinc/27/57/20/177275720.db2.gz YWDAYXYGRJBLHL-WCQYABFASA-N 0 1 233.311 2.058 20 0 BEADMN C[C@H](CC(=O)N1CCNC[C@@H]1C)c1ccccc1 ZINC000125949477 177283311 /nfs/dbraw/zinc/28/33/11/177283311.db2.gz BYGBLZQXPBYTAK-OLZOCXBDSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H]1COCCN1Cc1cccc2[nH]ccc21 ZINC000091815142 177292226 /nfs/dbraw/zinc/29/22/26/177292226.db2.gz ZNCGZBGHFFIFJW-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1CN(CC[C@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000251731095 177301483 /nfs/dbraw/zinc/30/14/83/177301483.db2.gz QNNVEGRARYVNHE-GUTXKFCHSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CSCCN(Cc2ccc(F)cn2)C1 ZINC000276981836 177303817 /nfs/dbraw/zinc/30/38/17/177303817.db2.gz ZLSSTZSNMZZSAF-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1nccn1C(F)F ZINC000285864338 177306974 /nfs/dbraw/zinc/30/69/74/177306974.db2.gz IRMUKJYONYTRJH-JGVFFNPUSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000336418862 177319866 /nfs/dbraw/zinc/31/98/66/177319866.db2.gz DGGXUCDVHZGGRS-VHSXEESVSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@H]1C[C@@H]1CNCc1nccc(C(F)F)n1 ZINC000336778809 177345557 /nfs/dbraw/zinc/34/55/57/177345557.db2.gz MKDNSDUKTPOZAY-JGVFFNPUSA-N 0 1 227.258 2.160 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)[C@@H](C)C1 ZINC000249152002 177355498 /nfs/dbraw/zinc/35/54/98/177355498.db2.gz VAJRNFSZXOTYIM-MDZLAQPJSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000357351140 177355560 /nfs/dbraw/zinc/35/55/60/177355560.db2.gz WKCKTEDXVMDITG-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)[C@@H](C)C1 ZINC000357351140 177355562 /nfs/dbraw/zinc/35/55/62/177355562.db2.gz WKCKTEDXVMDITG-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1C[C@H](NCCc2nccs2)c2nccn21 ZINC000293894914 177370081 /nfs/dbraw/zinc/37/00/81/177370081.db2.gz GUJUDNSTVCDBQV-UWVGGRQHSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H]1N(C[C@H]2CCC(C)(C)O2)CCOC1(C)C ZINC000336724261 177392395 /nfs/dbraw/zinc/39/23/95/177392395.db2.gz KUSINKCWXJKZRJ-VXGBXAGGSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@H]1OCCN(CC[C@H](O)c2ccccc2)[C@@H]1C ZINC000290275814 177398390 /nfs/dbraw/zinc/39/83/90/177398390.db2.gz LVYAUAARIZQSQA-NFAWXSAZSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1n[nH]c(C(=O)NCCC2(F)CCC2)c1C ZINC000359794996 177536290 /nfs/dbraw/zinc/53/62/90/177536290.db2.gz PIHNMXKMWYVANO-UHFFFAOYSA-N 0 1 239.294 2.039 20 0 BEADMN CCc1noc(CN2CC[C@H](C(C)C)C2)n1 ZINC000674867676 487639052 /nfs/dbraw/zinc/63/90/52/487639052.db2.gz FRICXICBIULOGP-JTQLQIEISA-N 0 1 223.320 2.110 20 0 BEADMN FC(F)(F)C1(CN[C@H]2CCn3ccnc32)CC1 ZINC001652432409 1173081164 /nfs/dbraw/zinc/08/11/64/1173081164.db2.gz GEHVGNHLOIVWJV-QMMMGPOBSA-N 0 1 245.248 2.260 20 0 BEADMN CN(CCc1ccccc1F)CC1=NOCC1 ZINC001652453551 1173082867 /nfs/dbraw/zinc/08/28/67/1173082867.db2.gz LGSMLYVCTGEDIV-UHFFFAOYSA-N 0 1 236.290 2.076 20 0 BEADMN CC1(c2nc([C@H]3CCCN3)no2)CCCC1 ZINC000087318846 487641078 /nfs/dbraw/zinc/64/10/78/487641078.db2.gz GLRKKPJIJVUEGJ-SECBINFHSA-N 0 1 221.304 2.326 20 0 BEADMN O=C(/C=C\C1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000493045566 226111408 /nfs/dbraw/zinc/11/14/08/226111408.db2.gz IYTIPMPEEIBYAG-DDRUTMOTSA-N 0 1 248.370 2.086 20 0 BEADMN O=C(/C=C/C1CCCC1)Nc1cn[nH]c1 ZINC000493403524 226196408 /nfs/dbraw/zinc/19/64/08/226196408.db2.gz UBRRAGVDOKXJFX-AATRIKPKSA-N 0 1 205.261 2.095 20 0 BEADMN O=C(/C=C\C1CCCC1)Nc1cn[nH]c1 ZINC000493403525 226196730 /nfs/dbraw/zinc/19/67/30/226196730.db2.gz UBRRAGVDOKXJFX-WAYWQWQTSA-N 0 1 205.261 2.095 20 0 BEADMN FCCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493952712 226259121 /nfs/dbraw/zinc/25/91/21/226259121.db2.gz NEAWSHHBYQBMAD-NWDGAFQWSA-N 0 1 245.244 2.354 20 0 BEADMN Cc1cncc(CNCc2cncc(F)c2)c1 ZINC000494589928 226266467 /nfs/dbraw/zinc/26/64/67/226266467.db2.gz BPPGPOFWPJOKJU-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN COCCN(Cc1cnn(C(C)C)c1)C1CC1 ZINC000507156106 226366411 /nfs/dbraw/zinc/36/64/11/226366411.db2.gz RCHGDFOVRMMRBU-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000079490688 487650018 /nfs/dbraw/zinc/65/00/18/487650018.db2.gz NMQYUOQAAGUCNB-CQSZACIVSA-N 0 1 233.311 2.434 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1ccccc1 ZINC000079489680 487650914 /nfs/dbraw/zinc/65/09/14/487650914.db2.gz RNKFSIMAVRIHQC-AWEZNQCLSA-N 0 1 233.311 2.168 20 0 BEADMN CC(C)C[C@@H](N)c1noc(Cc2ccoc2)n1 ZINC000414616401 487651374 /nfs/dbraw/zinc/65/13/74/487651374.db2.gz KBOSTUFNZWZQNN-SNVBAGLBSA-N 0 1 235.287 2.299 20 0 BEADMN CC[C@H]1COCCN1CCCOC(C)(C)C ZINC000674909097 487651728 /nfs/dbraw/zinc/65/17/28/487651728.db2.gz XMHCUUCITAGQGC-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CCCC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCC1 ZINC000674967992 487662394 /nfs/dbraw/zinc/66/23/94/487662394.db2.gz XYQFLCZXEMOYGK-WCQYABFASA-N 0 1 240.391 2.412 20 0 BEADMN CCc1nc(CNC2(c3ccccc3)CC2)n[nH]1 ZINC000274689655 487664511 /nfs/dbraw/zinc/66/45/11/487664511.db2.gz ZPVYJBMQKJDIKC-UHFFFAOYSA-N 0 1 242.326 2.146 20 0 BEADMN Cc1ccc(Cn2ccnc2CN)c(C)c1 ZINC000082535034 487664343 /nfs/dbraw/zinc/66/43/43/487664343.db2.gz SIYFZRNTPQTTGF-UHFFFAOYSA-N 0 1 215.300 2.007 20 0 BEADMN Cc1ccncc1CNCc1ccnn1C(C)C ZINC000394631116 262742344 /nfs/dbraw/zinc/74/23/44/262742344.db2.gz ZARCZCKSJCXKOE-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CN(Cc1cc(Cl)cn1C)[C@@H]1CCCOC1 ZINC000675125517 487671626 /nfs/dbraw/zinc/67/16/26/487671626.db2.gz MWAWMXDMRDCNQD-LLVKDONJSA-N 0 1 242.750 2.289 20 0 BEADMN c1c(CN2CCCC23CCC3)nnn1CC1CC1 ZINC000450868926 229166766 /nfs/dbraw/zinc/16/67/66/229166766.db2.gz NHNASXFQBFYOPD-UHFFFAOYSA-N 0 1 246.358 2.207 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nccs2)C12CCC2 ZINC000308340559 229227550 /nfs/dbraw/zinc/22/75/50/229227550.db2.gz IEDGIRMUVDXLMC-ZJUUUORDSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@@H](C(=O)N1CC(C)(C)c2ccccc21)N(C)C ZINC000675146326 487675073 /nfs/dbraw/zinc/67/50/73/487675073.db2.gz AMWHWRKAZLBMRL-NSHDSACASA-N 0 1 246.354 2.261 20 0 BEADMN Clc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087689797 487679148 /nfs/dbraw/zinc/67/91/48/487679148.db2.gz HMNWXSJTHIQWHN-QNSHHTMESA-N 0 1 227.691 2.343 20 0 BEADMN CCCC1(C(=O)N[C@@H]2CCCN(C)C2)CCC1 ZINC000675225812 487682176 /nfs/dbraw/zinc/68/21/76/487682176.db2.gz BIKREZHLYNVNMC-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)n1nccc1CNC/C=C/Cl ZINC000898431903 584134109 /nfs/dbraw/zinc/13/41/09/584134109.db2.gz CTNWUOSJZMYORN-HWKANZROSA-N 0 1 213.712 2.306 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2c(c1)CCCC2)N(C)C ZINC000651022959 487689425 /nfs/dbraw/zinc/68/94/25/487689425.db2.gz DOLUREIFVMRILD-NSHDSACASA-N 0 1 246.354 2.454 20 0 BEADMN CC1(C)SC[C@@H]1NCc1ccncc1F ZINC000336217705 487691097 /nfs/dbraw/zinc/69/10/97/487691097.db2.gz JLCSZTUITNTKAK-JTQLQIEISA-N 0 1 226.320 2.204 20 0 BEADMN CCCC(C)(C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667645359 487691277 /nfs/dbraw/zinc/69/12/77/487691277.db2.gz NFRXASKVJHMCPV-JTQLQIEISA-N 0 1 249.358 2.210 20 0 BEADMN CCCN[C@@H](C)c1nc(C2CCOCC2)no1 ZINC000087812726 487691905 /nfs/dbraw/zinc/69/19/05/487691905.db2.gz UEWIRTADGWJDPM-VIFPVBQESA-N 0 1 239.319 2.024 20 0 BEADMN CCc1ccccc1-n1cc([C@@H](C)NC)nn1 ZINC000384110950 487693172 /nfs/dbraw/zinc/69/31/72/487693172.db2.gz XZVDVPNQQBOXKI-SNVBAGLBSA-N 0 1 230.315 2.110 20 0 BEADMN Cc1ccnc(CN(C)[C@H]2CCCOC2)c1 ZINC000671704210 487698121 /nfs/dbraw/zinc/69/81/21/487698121.db2.gz GCTVAWIVAHXATE-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H]1CN(CC(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000399744401 262844482 /nfs/dbraw/zinc/84/44/82/262844482.db2.gz JYCRGXOOGVDIKS-VWYCJHECSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1[nH]ncc1CNc1cccc2c1OCC2 ZINC000527764397 262880700 /nfs/dbraw/zinc/88/07/00/262880700.db2.gz WYBWPYWCFCCVOD-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Clc1cnc(NCC[C@@H]2CCCOC2)s1 ZINC000528075665 262904410 /nfs/dbraw/zinc/90/44/10/262904410.db2.gz ZEZRFAYIBWIIFF-QMMMGPOBSA-N 0 1 246.763 2.447 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000669712947 487716350 /nfs/dbraw/zinc/71/63/50/487716350.db2.gz CFGJISKXLZZISX-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1F ZINC000233424384 487716677 /nfs/dbraw/zinc/71/66/77/487716677.db2.gz DMHRWZIYQOMISI-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN Cc1nn(C(C)C)cc1CN(C)Cc1cnc[nH]1 ZINC000668421712 487725570 /nfs/dbraw/zinc/72/55/70/487725570.db2.gz CBTFDIPIBXAHAH-UHFFFAOYSA-N 0 1 247.346 2.128 20 0 BEADMN COc1ccc(F)c(CN(C)Cc2cnc[nH]2)c1 ZINC000668422220 487727070 /nfs/dbraw/zinc/72/70/70/487727070.db2.gz UIJDUEWLTCXHDD-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1F ZINC000384593705 487728479 /nfs/dbraw/zinc/72/84/79/487728479.db2.gz DUMCAHRRCLVZNQ-NSHDSACASA-N 0 1 239.290 2.429 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cccc(F)c1F ZINC000674912385 487732314 /nfs/dbraw/zinc/73/23/14/487732314.db2.gz ABGYWGLRMUBPGI-CABZTGNLSA-N 0 1 240.297 2.005 20 0 BEADMN CCc1oc(C(=O)NCc2cc(C)[nH]n2)cc1C ZINC000675465048 487737159 /nfs/dbraw/zinc/73/71/59/487737159.db2.gz ARYQFQWISQPSKI-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CCOc1ccc(-n2[nH]c(C)c(C)c2=O)cc1 ZINC000233804430 487743616 /nfs/dbraw/zinc/74/36/16/487743616.db2.gz RDBHOOXYSVRUBH-SECBINFHSA-N 0 1 232.283 2.444 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)c(C)o1 ZINC000071396460 487743456 /nfs/dbraw/zinc/74/34/56/487743456.db2.gz QXUQBZOOOIVCHB-JTQLQIEISA-N 0 1 233.271 2.371 20 0 BEADMN c1nc(CN[C@H]2[C@H]3Cc4ccccc4[C@H]32)co1 ZINC000290324914 487750645 /nfs/dbraw/zinc/75/06/45/487750645.db2.gz DITJJXSETXZMMZ-MJBXVCDLSA-N 0 1 226.279 2.103 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1ccccc1 ZINC000002524300 487753894 /nfs/dbraw/zinc/75/38/94/487753894.db2.gz MPXBWAGUSGBWPQ-UHFFFAOYSA-N 0 1 231.295 2.268 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000251391896 487754651 /nfs/dbraw/zinc/75/46/51/487754651.db2.gz YEEBPMRNHBQXPO-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](C)N(C)C)c1 ZINC000674264251 487759966 /nfs/dbraw/zinc/75/99/66/487759966.db2.gz SQOMIZQVUMFLMD-OLZOCXBDSA-N 0 1 248.370 2.431 20 0 BEADMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000061363508 487760667 /nfs/dbraw/zinc/76/06/67/487760667.db2.gz NIMBRPJISYQGPX-ZJUUUORDSA-N 0 1 240.372 2.313 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCC(F)(F)CN ZINC000414927123 487763226 /nfs/dbraw/zinc/76/32/26/487763226.db2.gz LAIYKAMBTKPJSZ-ZJUUUORDSA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1C[C@@H](C)O[C@@H]1C ZINC000631217440 487765074 /nfs/dbraw/zinc/76/50/74/487765074.db2.gz BSWKRZVQZPCOLZ-UTUOFQBUSA-N 0 1 237.347 2.120 20 0 BEADMN C[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000681271215 487765946 /nfs/dbraw/zinc/76/59/46/487765946.db2.gz NGPWQKCMIPACQS-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCCC2(C)C)n[nH]1 ZINC000681275370 487767737 /nfs/dbraw/zinc/76/77/37/487767737.db2.gz BHXXMBOMJLLORZ-LLVKDONJSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)CN(CC)C1CC1 ZINC000357761431 487772530 /nfs/dbraw/zinc/77/25/30/487772530.db2.gz LRQVCWYPYUBNRF-RYUDHWBXSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@H]1CCSCC[N@H+]1CCCCCC(=O)[O-] ZINC000385223667 487772933 /nfs/dbraw/zinc/77/29/33/487772933.db2.gz KKYWPBUAYIYZPJ-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN C[C@@H](C(=O)NC(C1CCC1)C1CCC1)N(C)C ZINC000672303700 487775264 /nfs/dbraw/zinc/77/52/64/487775264.db2.gz PGPVVVHZBUDSAR-JTQLQIEISA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc2cc(NC(=O)[C@H](C)N(C)C)ccc2[nH]1 ZINC000674286203 487776565 /nfs/dbraw/zinc/77/65/65/487776565.db2.gz GDKQDISEVZIMOQ-JTQLQIEISA-N 0 1 245.326 2.365 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)c1cccc(C)c1 ZINC000674286135 487776387 /nfs/dbraw/zinc/77/63/87/487776387.db2.gz DOIPLOXQUDVRNG-LBPRGKRZSA-N 0 1 234.343 2.298 20 0 BEADMN CCCCN(C)Cc1cnnn1-c1ccccc1 ZINC000675799616 487780354 /nfs/dbraw/zinc/78/03/54/487780354.db2.gz OWDOGCRSLHMFJO-UHFFFAOYSA-N 0 1 244.342 2.499 20 0 BEADMN COC[C@@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000675882989 487786361 /nfs/dbraw/zinc/78/63/61/487786361.db2.gz ZPNVALUSZSSJTQ-CYBMUJFWSA-N 0 1 238.331 2.313 20 0 BEADMN CCCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000652141730 487794269 /nfs/dbraw/zinc/79/42/69/487794269.db2.gz YHUOUMJHMFIRCO-QMMMGPOBSA-N 0 1 238.335 2.117 20 0 BEADMN COCCC1CN(Cc2ccsc2)C1 ZINC000668472237 487795974 /nfs/dbraw/zinc/79/59/74/487795974.db2.gz GGOJNTDEFVXGMR-UHFFFAOYSA-N 0 1 211.330 2.216 20 0 BEADMN COC(C)(C)[C@H](C)NCc1csc(C)n1 ZINC000300985680 487796826 /nfs/dbraw/zinc/79/68/26/487796826.db2.gz LAKNPBKDKLEHRF-QMMMGPOBSA-N 0 1 228.361 2.355 20 0 BEADMN c1ccc2c(c1)CN([C@@H]1CCCOC1)CCO2 ZINC000674300906 487796511 /nfs/dbraw/zinc/79/65/11/487796511.db2.gz ILYNUYWYAIWTOC-CYBMUJFWSA-N 0 1 233.311 2.060 20 0 BEADMN CCC(CC)CN(CC)C(=O)C1(N(C)C)CC1 ZINC000666393257 487796513 /nfs/dbraw/zinc/79/65/13/487796513.db2.gz ZCKRKIURVNLYET-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(C)(CC)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000681002000 487796721 /nfs/dbraw/zinc/79/67/21/487796721.db2.gz ZGBIFJRFWHOFFJ-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(CC)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000681001947 487797113 /nfs/dbraw/zinc/79/71/13/487797113.db2.gz WPUVPEVWFDNJPM-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1ncc(CN2CC(CCOC)C2)s1 ZINC000668472762 487798057 /nfs/dbraw/zinc/79/80/57/487798057.db2.gz HREOVFSMESRXGZ-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN CCc1occc1-c1nc([C@@H]2CCCN2)no1 ZINC000234308974 487799389 /nfs/dbraw/zinc/79/93/89/487799389.db2.gz JBKCABQTQROOIX-VIFPVBQESA-N 0 1 233.271 2.317 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1nc(C)sc1C ZINC000223930753 487802902 /nfs/dbraw/zinc/80/29/02/487802902.db2.gz FWDBFCGYJFCGNJ-SFYZADRCSA-N 0 1 228.361 2.445 20 0 BEADMN Clc1ccc(CN2CCc3cn[nH]c3C2)o1 ZINC000678272743 487803698 /nfs/dbraw/zinc/80/36/98/487803698.db2.gz AEFJZKOSFFTHAJ-UHFFFAOYSA-N 0 1 237.690 2.214 20 0 BEADMN C[C@@H]1COCCC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000678272699 487803755 /nfs/dbraw/zinc/80/37/55/487803755.db2.gz HNHQIQMYEPVXQD-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1COCCC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000678272699 487803761 /nfs/dbraw/zinc/80/37/61/487803761.db2.gz HNHQIQMYEPVXQD-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1COCCCN1Cc1n[nH]c2ccccc21 ZINC000678272699 487803766 /nfs/dbraw/zinc/80/37/66/487803766.db2.gz HNHQIQMYEPVXQD-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cc(CN2CCc3cn[nH]c3C2)ccc1F ZINC000678275969 487817474 /nfs/dbraw/zinc/81/74/74/487817474.db2.gz NOLIYTIUXNDVTC-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)n[nH]1 ZINC000668058903 487822752 /nfs/dbraw/zinc/82/27/52/487822752.db2.gz QCVWAZTUQNMJSR-AXFHLTTASA-N 0 1 249.358 2.479 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)n[nH]1 ZINC000668058904 487822877 /nfs/dbraw/zinc/82/28/77/487822877.db2.gz QCVWAZTUQNMJSR-DCAQKATOSA-N 0 1 249.358 2.479 20 0 BEADMN c1ccc2c(c1)CC[C@H]2N1CCOCC1 ZINC000681639829 487828739 /nfs/dbraw/zinc/82/87/39/487828739.db2.gz GFVHCGIXDANSLH-CYBMUJFWSA-N 0 1 203.285 2.006 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000666578583 487834643 /nfs/dbraw/zinc/83/46/43/487834643.db2.gz HRTWTGNGSKLQCB-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1ccnn1CC1CC1 ZINC000668090546 487834685 /nfs/dbraw/zinc/83/46/85/487834685.db2.gz NCWJXWWCHXRGRR-QWRGUYRKSA-N 0 1 219.332 2.276 20 0 BEADMN C[N@@H+](C/C=C/Cl)[C@@H](CO)CC(C)(C)C ZINC000832085075 587644695 /nfs/dbraw/zinc/64/46/95/587644695.db2.gz PPJPMUTXWJDZQJ-BRAIEQGRSA-N 0 1 219.756 2.468 20 0 BEADMN CC(C)C1CN(Cc2ccnn2CC2CC2)C1 ZINC000668090631 487834801 /nfs/dbraw/zinc/83/48/01/487834801.db2.gz PDHXAZPDBKTYQP-UHFFFAOYSA-N 0 1 233.359 2.381 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N(C)Cc1cnc[nH]1 ZINC000496374532 528477087 /nfs/dbraw/zinc/47/70/87/528477087.db2.gz LLNYJJWDBDUXPG-JTQLQIEISA-N 0 1 239.319 2.413 20 0 BEADMN CC/C=C\CCN1CCN(CC)C(=O)[C@H]1CC ZINC000495206929 528788936 /nfs/dbraw/zinc/78/89/36/528788936.db2.gz ALOLUJUXFYMMQF-MEJMFZKBSA-N 0 1 238.375 2.285 20 0 BEADMN CCc1nc(CN[C@@H](CC)[C@H](O)CC)cs1 ZINC000313151487 322949314 /nfs/dbraw/zinc/94/93/14/322949314.db2.gz LNLIDCSLEOTJNR-WDEREUQCSA-N 0 1 242.388 2.345 20 0 BEADMN O=C(NCc1cnc[nH]1)c1ccc(C2CC2)cc1 ZINC000668994993 487843342 /nfs/dbraw/zinc/84/33/42/487843342.db2.gz DFXRWTCTCZNWAK-UHFFFAOYSA-N 0 1 241.294 2.217 20 0 BEADMN Cc1cc(CC(=O)NC(C(C)C)C(C)C)[nH]n1 ZINC000676400596 487843437 /nfs/dbraw/zinc/84/34/37/487843437.db2.gz RUZRAZNFKTWKBG-UHFFFAOYSA-N 0 1 237.347 2.057 20 0 BEADMN CC[N@@H+](Cc1cc(OC)no1)C1CCCC1 ZINC000659843728 487845115 /nfs/dbraw/zinc/84/51/15/487845115.db2.gz YLDOEKOBACAFRI-UHFFFAOYSA-N 0 1 224.304 2.448 20 0 BEADMN C[C@H](C1CC1)N(Cc1ccon1)C1CC1 ZINC000077250933 487845995 /nfs/dbraw/zinc/84/59/95/487845995.db2.gz JXMSFDKOVARBJG-SECBINFHSA-N 0 1 206.289 2.438 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1(C)CCCC1 ZINC000877491996 590340517 /nfs/dbraw/zinc/34/05/17/590340517.db2.gz ZFNQBMYCWRODHM-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN FC(F)(F)OCCCN1C[C@@H]2C[C@H]1CS2 ZINC000878705936 590612971 /nfs/dbraw/zinc/61/29/71/590612971.db2.gz MWZWCUDPIHOUIX-YUMQZZPRSA-N 0 1 241.278 2.103 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000681731882 487849588 /nfs/dbraw/zinc/84/95/88/487849588.db2.gz RRCBKCUVCLEPGN-LLVKDONJSA-N 0 1 233.315 2.081 20 0 BEADMN CCc1ncc(CN(C)CCCSC)o1 ZINC000930318842 639701596 /nfs/dbraw/zinc/70/15/96/639701596.db2.gz WUGXRBHZAKQDFK-UHFFFAOYSA-N 0 1 228.361 2.422 20 0 BEADMN C[C@H]1CN(Cc2ccc(O)cc2)C[C@H](C2CC2)O1 ZINC000684412235 487877913 /nfs/dbraw/zinc/87/79/13/487877913.db2.gz TWRRJALEWIPXSS-XHDPSFHLSA-N 0 1 247.338 2.392 20 0 BEADMN COC[C@@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682070913 487892307 /nfs/dbraw/zinc/89/23/07/487892307.db2.gz GNQGUWDGUWZSDM-ZFWWWQNUSA-N 0 1 247.338 2.021 20 0 BEADMN Cc1ccc(CCNCc2csnn2)cc1C ZINC000668531844 487895365 /nfs/dbraw/zinc/89/53/65/487895365.db2.gz MIJHXKIAVPTYKK-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN C[C@H]1COCCCN1CCC(F)(F)F ZINC000676714678 487902941 /nfs/dbraw/zinc/90/29/41/487902941.db2.gz XBKKXBKPXWSDET-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN CCC(CC)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000083409972 487908223 /nfs/dbraw/zinc/90/82/23/487908223.db2.gz QESYOUMOAZZEAH-MWLCHTKSSA-N 0 1 213.321 2.075 20 0 BEADMN CCC[C@H](O)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000676745069 487914069 /nfs/dbraw/zinc/91/40/69/487914069.db2.gz UEQLGRDUJRLZBL-JTQLQIEISA-N 0 1 247.298 2.053 20 0 BEADMN Cn1ncc(Cl)c1CN1CCC[C@H]1C1CC1 ZINC000682154095 487915329 /nfs/dbraw/zinc/91/53/29/487915329.db2.gz QZDLFWKMBOITHH-NSHDSACASA-N 0 1 239.750 2.448 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)C2(N(C)C)CC2)C1 ZINC000667078941 487921960 /nfs/dbraw/zinc/92/19/60/487921960.db2.gz JRUHSLOMKCUFRS-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)C2(N(C)C)CC2)C1 ZINC000667078942 487922019 /nfs/dbraw/zinc/92/20/19/487922019.db2.gz JRUHSLOMKCUFRS-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ncc[nH]1)CC(C)C ZINC000417360875 487924915 /nfs/dbraw/zinc/92/49/15/487924915.db2.gz KIYDIBZUHZZICW-GHMZBOCLSA-N 0 1 225.336 2.121 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ncc[nH]1)CC(C)C ZINC000417360879 487925277 /nfs/dbraw/zinc/92/52/77/487925277.db2.gz KIYDIBZUHZZICW-WDEREUQCSA-N 0 1 225.336 2.121 20 0 BEADMN CCO[C@H]1CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000083679506 487927993 /nfs/dbraw/zinc/92/79/93/487927993.db2.gz SQTOUVZYCABZCO-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H](C)[C@H]1O ZINC000668555565 487928188 /nfs/dbraw/zinc/92/81/88/487928188.db2.gz ZOEJKLKVLGJFBA-GDGBQDQQSA-N 0 1 243.734 2.382 20 0 BEADMN CC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000682220721 487928668 /nfs/dbraw/zinc/92/86/68/487928668.db2.gz FZAUYFRHWYWNRZ-DLGQBQFBSA-N 0 1 228.299 2.060 20 0 BEADMN Cc1cncc(CN2CCCOC[C@@H]2C)c1 ZINC000682368521 487941281 /nfs/dbraw/zinc/94/12/81/487941281.db2.gz VLNPAUCWADFANJ-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1CC=CCC1 ZINC000652392916 487943081 /nfs/dbraw/zinc/94/30/81/487943081.db2.gz KHFLFOHLHYSSDP-CYBMUJFWSA-N 0 1 231.295 2.383 20 0 BEADMN CC(C)[N@@H+](Cc1ccoc1C(=O)[O-])C1CC1 ZINC000652403425 487944927 /nfs/dbraw/zinc/94/49/27/487944927.db2.gz BZRRIZCFLOUXJD-UHFFFAOYSA-N 0 1 223.272 2.351 20 0 BEADMN C[C@@H]1C[C@H]1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000049219801 487945667 /nfs/dbraw/zinc/94/56/67/487945667.db2.gz KBMYDJPXNVXPOV-SFYZADRCSA-N 0 1 247.273 2.088 20 0 BEADMN Cc1cncc(NS(=O)(=O)c2ccccc2)c1 ZINC000074831768 323005178 /nfs/dbraw/zinc/00/51/78/323005178.db2.gz RLAXUIOYMIWIND-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000245419921 323006262 /nfs/dbraw/zinc/00/62/62/323006262.db2.gz BCMWQCUGCPCGER-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN COc1ccc(CNCc2ccncc2C)cn1 ZINC000158144919 323013349 /nfs/dbraw/zinc/01/33/49/323013349.db2.gz COHFXSUSPQAUBY-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc2cccnc2o1 ZINC000562518558 323022721 /nfs/dbraw/zinc/02/27/21/323022721.db2.gz MVGRNWSUTREFOL-VXGBXAGGSA-N 0 1 232.283 2.095 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CCC1CC1 ZINC000135252456 323027967 /nfs/dbraw/zinc/02/79/67/323027967.db2.gz JHAOPUAEVNPUQU-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000323346080 323028629 /nfs/dbraw/zinc/02/86/29/323028629.db2.gz YWURGJGRPMSNJY-SMGNDMQFSA-N 0 1 245.322 2.496 20 0 BEADMN CCc1nsc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403808182 323029871 /nfs/dbraw/zinc/02/98/71/323029871.db2.gz HGLAKTATFILZOS-BBBLOLIVSA-N 0 1 237.372 2.371 20 0 BEADMN CC(C)[C@@H]1N(Cc2ccn(C)n2)CC12CCC2 ZINC000569653062 323035680 /nfs/dbraw/zinc/03/56/80/323035680.db2.gz FNQBSPBCRHTJNK-ZDUSSCGKSA-N 0 1 233.359 2.431 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC=CCC1 ZINC000572973379 323037671 /nfs/dbraw/zinc/03/76/71/323037671.db2.gz VVMZNYUQQUKTEE-VXGBXAGGSA-N 0 1 247.342 2.061 20 0 BEADMN C[C@H]1C[C@@H](CN2Cc3cccnc3C2)CCO1 ZINC000572633831 323045607 /nfs/dbraw/zinc/04/56/07/323045607.db2.gz MATZHHUGJPOYBY-RYUDHWBXSA-N 0 1 232.327 2.212 20 0 BEADMN C[C@@H]1c2ccccc2CC[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000569981580 323046421 /nfs/dbraw/zinc/04/64/21/323046421.db2.gz KBBPBOHPUUGZAE-LLVKDONJSA-N 0 1 245.322 2.471 20 0 BEADMN CCC1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC000569996413 323046956 /nfs/dbraw/zinc/04/69/56/323046956.db2.gz RALBNYODGBNPCE-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1nc(CN(C)Cc2cnc[nH]2)cs1 ZINC000570106218 323050095 /nfs/dbraw/zinc/05/00/95/323050095.db2.gz RBZNNBUXAJTHKG-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)C[C@@]1(C)C(=O)[O-] ZINC000570456773 323060319 /nfs/dbraw/zinc/06/03/19/323060319.db2.gz LOMCKCMPKARGGR-ZWNOBZJWSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCC1CCC1 ZINC000155172336 323060738 /nfs/dbraw/zinc/06/07/38/323060738.db2.gz GMVIDXQQCPSUTE-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2Cc3ccccc32)o1 ZINC000570537803 323062666 /nfs/dbraw/zinc/06/26/66/323062666.db2.gz FVVRIIWTDUBUDA-CABZTGNLSA-N 0 1 243.310 2.369 20 0 BEADMN O=C(Nc1cccnc1)c1c(O)cccc1F ZINC000163509753 323069252 /nfs/dbraw/zinc/06/92/52/323069252.db2.gz GXFOAIWPZAHYID-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cnn(C(C)C)c1 ZINC000570769739 323069744 /nfs/dbraw/zinc/06/97/44/323069744.db2.gz CYZWJJSQKJIAJX-RAIGVLPGSA-N 0 1 237.347 2.292 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000160604083 323073517 /nfs/dbraw/zinc/07/35/17/323073517.db2.gz KARLGAZTSMXPHB-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C(C)C)CC1 ZINC000173863497 323073889 /nfs/dbraw/zinc/07/38/89/323073889.db2.gz HQSJMLROYBSHLX-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000570933013 323074802 /nfs/dbraw/zinc/07/48/02/323074802.db2.gz AGSQVKSMUKSPTP-JTQLQIEISA-N 0 1 247.285 2.218 20 0 BEADMN COCC1(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000309500926 323082250 /nfs/dbraw/zinc/08/22/50/323082250.db2.gz ZQZGLFGVBSBKEU-VIFPVBQESA-N 0 1 224.279 2.050 20 0 BEADMN c1cnc(CNCCOC2CCCCCC2)cn1 ZINC000563111873 323093112 /nfs/dbraw/zinc/09/31/12/323093112.db2.gz KHEQSCHUXSQYLM-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2ncc(C)s2)C1(C)C ZINC000394720612 323093225 /nfs/dbraw/zinc/09/32/25/323093225.db2.gz JRRZODAMXAWSKU-NXEZZACHSA-N 0 1 240.372 2.355 20 0 BEADMN CO[C@H]([C@@H](C)NCc1ncc(C)s1)C1CC1 ZINC000394738406 323096771 /nfs/dbraw/zinc/09/67/71/323096771.db2.gz VPAZEXCCPIIIRE-BXKDBHETSA-N 0 1 240.372 2.355 20 0 BEADMN Cc1ccncc1CN[C@@H](C)c1cncnc1C ZINC000565371493 323100683 /nfs/dbraw/zinc/10/06/83/323100683.db2.gz DODWTBSXXIWGPB-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN CC(C)=CC[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000570986203 323102839 /nfs/dbraw/zinc/10/28/39/323102839.db2.gz PNBWGHMUYADBLT-JTQLQIEISA-N 0 1 211.305 2.280 20 0 BEADMN Cc1cnc(CN2CC[C@H](c3ccncc3)C2)o1 ZINC000571025770 323103857 /nfs/dbraw/zinc/10/38/57/323103857.db2.gz SMPUGLXXJAKGRY-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000571053418 323105615 /nfs/dbraw/zinc/10/56/15/323105615.db2.gz KKTBQYRRJQCIQH-QJPTWQEYSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H]1O)c1cccc(F)c1F ZINC000393511106 323106424 /nfs/dbraw/zinc/10/64/24/323106424.db2.gz JOGOMSXVDYJOCT-WHGOUJPWSA-N 0 1 227.254 2.139 20 0 BEADMN CC[C@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)CC1 ZINC000563281906 323108103 /nfs/dbraw/zinc/10/81/03/323108103.db2.gz DZZJNPFFSMNSAV-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CO[C@@H](C)CN(C)Cc1c(C)nsc1C ZINC000563364467 323121200 /nfs/dbraw/zinc/12/12/00/323121200.db2.gz NIEWVYRLANPPLJ-QMMMGPOBSA-N 0 1 228.361 2.227 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000563454290 323127082 /nfs/dbraw/zinc/12/70/82/323127082.db2.gz DLFLJPIXGNBSJJ-ZYHUDNBSSA-N 0 1 249.310 2.133 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CC1)c1n[nH]c2ccccc21 ZINC000563673418 323134505 /nfs/dbraw/zinc/13/45/05/323134505.db2.gz VJJLBICCVJHWLQ-CMPLNLGQSA-N 0 1 241.294 2.091 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2ccno2)CS1 ZINC000571165436 323137348 /nfs/dbraw/zinc/13/73/48/323137348.db2.gz AKVIMIRNJOAYHH-KOLCDFICSA-N 0 1 226.345 2.294 20 0 BEADMN C[C@@H]1CCCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000571290711 323140430 /nfs/dbraw/zinc/14/04/30/323140430.db2.gz HEROSGPQAHDQBU-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000571451931 323145134 /nfs/dbraw/zinc/14/51/34/323145134.db2.gz CYMFZJWQIIJBMJ-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H](c1ccc2ccccc2c1)N(C)CC(N)=O ZINC000049236940 323159308 /nfs/dbraw/zinc/15/93/08/323159308.db2.gz POKLMEIFHWFKAX-NSHDSACASA-N 0 1 242.322 2.318 20 0 BEADMN C[C@H]1CN(Cc2ccc3nc[nH]c3c2)[C@@H](C)CO1 ZINC000535070676 323165228 /nfs/dbraw/zinc/16/52/28/323165228.db2.gz JBODNEHYKHNTKQ-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)[C@@H](C)CO1 ZINC000535070677 323165312 /nfs/dbraw/zinc/16/53/12/323165312.db2.gz JBODNEHYKHNTKQ-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1C[C@@H](NCC(C)(F)F)C[C@H](C)O1 ZINC000307713224 323169565 /nfs/dbraw/zinc/16/95/65/323169565.db2.gz ZWFLXGXWOZWTPJ-AYMMMOKOSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1csc(CN2CCC[C@H]([C@@H](C)O)C2)n1 ZINC000305619833 323170661 /nfs/dbraw/zinc/17/06/61/323170661.db2.gz HCAFDYXWIDCCFV-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2cccc(C)c2)[nH]1 ZINC000112702583 323171650 /nfs/dbraw/zinc/17/16/50/323171650.db2.gz SJGCQKNAQJSPEB-VOTSOKGWSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2cccc(C)c2)n1 ZINC000112702583 323171651 /nfs/dbraw/zinc/17/16/51/323171651.db2.gz SJGCQKNAQJSPEB-VOTSOKGWSA-N 0 1 242.282 2.073 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ncn(C)n1 ZINC000391947992 323183603 /nfs/dbraw/zinc/18/36/03/323183603.db2.gz XOYLIEUSJGHSJO-WRWGMCAJSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000391958459 323183662 /nfs/dbraw/zinc/18/36/62/323183662.db2.gz XNDLOHOMEIHQNI-GRYCIOLGSA-N 0 1 236.363 2.292 20 0 BEADMN CC[C@H](NCc1csnn1)[C@H]1CC1(C)C ZINC000398398897 323185599 /nfs/dbraw/zinc/18/55/99/323185599.db2.gz VJZMEQIPAFCNTJ-ZJUUUORDSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CCN(Cc2cnnn2C)[C@@H]2CCCC[C@@H]12 ZINC000536639895 323199344 /nfs/dbraw/zinc/19/93/44/323199344.db2.gz XZKXIWYBNLXAKW-KWCYVHTRSA-N 0 1 248.374 2.216 20 0 BEADMN CC(C)C[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000536653822 323199593 /nfs/dbraw/zinc/19/95/93/323199593.db2.gz FSCGVWLZEDERHY-UHFFFAOYSA-N 0 1 248.374 2.165 20 0 BEADMN CC[C@@H](F)C[N@@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530164685 323204843 /nfs/dbraw/zinc/20/48/43/323204843.db2.gz BTFLZFKPHRGXLL-KCJUWKMLSA-N 0 1 241.262 2.012 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530164685 323204844 /nfs/dbraw/zinc/20/48/44/323204844.db2.gz BTFLZFKPHRGXLL-KCJUWKMLSA-N 0 1 241.262 2.012 20 0 BEADMN CC(C)=CC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530169242 323205113 /nfs/dbraw/zinc/20/51/13/323205113.db2.gz ORAVPYZQXQZBDI-LBPRGKRZSA-N 0 1 235.283 2.230 20 0 BEADMN CCCC1(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000532374530 323256174 /nfs/dbraw/zinc/25/61/74/323256174.db2.gz JLOYAJAJYLEZOA-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC000532475599 323270046 /nfs/dbraw/zinc/27/00/46/323270046.db2.gz NLUUAJIXACCUGQ-UNJBNNCHSA-N 0 1 248.370 2.443 20 0 BEADMN CN(CC[N@@H+](C)Cc1ccno1)c1ccccc1 ZINC000532554641 323277027 /nfs/dbraw/zinc/27/70/27/323277027.db2.gz YXACBJRDYJWRGF-UHFFFAOYSA-N 0 1 245.326 2.243 20 0 BEADMN CN(CCN(C)c1ccccc1)Cc1ccno1 ZINC000532554641 323277031 /nfs/dbraw/zinc/27/70/31/323277031.db2.gz YXACBJRDYJWRGF-UHFFFAOYSA-N 0 1 245.326 2.243 20 0 BEADMN CO[C@@H](CNCc1cscn1)CC(C)C ZINC000418104943 323349869 /nfs/dbraw/zinc/34/98/69/323349869.db2.gz VNHWKINEHMJHJL-LLVKDONJSA-N 0 1 228.361 2.294 20 0 BEADMN Cc1nc(CNC(C)C)nc2ccccc12 ZINC000309343826 323345148 /nfs/dbraw/zinc/34/51/48/323345148.db2.gz LCZNWCUNOBYYHF-UHFFFAOYSA-N 0 1 215.300 2.436 20 0 BEADMN Cc1cnc(CN[C@@]23C[C@@H]2COC3(C)C)s1 ZINC000527760476 323682234 /nfs/dbraw/zinc/68/22/34/323682234.db2.gz CSSRJJRFRPIWPR-SKDRFNHKSA-N 0 1 238.356 2.109 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cnn(C(C)C)c1 ZINC000527783648 323690626 /nfs/dbraw/zinc/69/06/26/323690626.db2.gz OUYVKAOTEKKDRZ-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN CCn1nc(C)c(CNCC[C@@H]2CC=CCC2)n1 ZINC000527787168 323693993 /nfs/dbraw/zinc/69/39/93/323693993.db2.gz HZMNAJYNNXAXSG-CYBMUJFWSA-N 0 1 248.374 2.442 20 0 BEADMN COC[C@H](N[C@@H]1CCSC1)c1ccc(C)o1 ZINC000122292491 324033749 /nfs/dbraw/zinc/03/37/49/324033749.db2.gz GNMAWHNUOBQOGM-MNOVXSKESA-N 0 1 241.356 2.371 20 0 BEADMN CC(C)n1cc(CN2CCC2(C)C)cn1 ZINC000537635448 324091864 /nfs/dbraw/zinc/09/18/64/324091864.db2.gz UJEFLAKMNSAJDQ-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN COC[C@@H]1CN(CCC2=CCCCC2)CCO1 ZINC000450436800 324142018 /nfs/dbraw/zinc/14/20/18/324142018.db2.gz RNGOWRIXFVWFBE-AWEZNQCLSA-N 0 1 239.359 2.224 20 0 BEADMN Fc1ccc(CNCCOC2CCCC2)nc1 ZINC000529529796 324325647 /nfs/dbraw/zinc/32/56/47/324325647.db2.gz FFDNSRBBBGDSGO-UHFFFAOYSA-N 0 1 238.306 2.270 20 0 BEADMN Cc1noc([C@@H](C)N[C@H](C)[C@@H]2C[C@H]2C2CC2)n1 ZINC000529554606 324340969 /nfs/dbraw/zinc/34/09/69/324340969.db2.gz HRURZEIFXXZERG-FUAUIPCOSA-N 0 1 235.331 2.463 20 0 BEADMN CCC(C)(C)OC1CN(CC[C@H]2CCOC2)C1 ZINC000529641629 324369977 /nfs/dbraw/zinc/36/99/77/324369977.db2.gz OCLXWLPRIACKJX-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc2c(n1)CCC2 ZINC000529653606 324372417 /nfs/dbraw/zinc/37/24/17/324372417.db2.gz RHOSXCQKBDKARW-CABCVRRESA-N 0 1 246.354 2.227 20 0 BEADMN O=C(NCC1CC=CC1)c1cccc2nc[nH]c21 ZINC000529709281 324382820 /nfs/dbraw/zinc/38/28/20/324382820.db2.gz ARIQMHOPMROQBG-UHFFFAOYSA-N 0 1 241.294 2.259 20 0 BEADMN CC(=O)c1cc(CN2CCC[C@H]2C2CC2)on1 ZINC000653543360 487962895 /nfs/dbraw/zinc/96/28/95/487962895.db2.gz LEHRNSUVUGIQFN-ZDUSSCGKSA-N 0 1 234.299 2.252 20 0 BEADMN c1snnc1CNC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668581088 487963023 /nfs/dbraw/zinc/96/30/23/487963023.db2.gz VEXGGDBJAZRMIJ-YWVKMMECSA-N 0 1 223.345 2.064 20 0 BEADMN Cc1ncc([C@H](C)N2CCCO[C@@H](C)C2)c(C)n1 ZINC000682438362 487963804 /nfs/dbraw/zinc/96/38/04/487963804.db2.gz BZXQMIMVRDGBQW-JQWIXIFHSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1nsc(C)c1CN(CCCO)C1CC1 ZINC000653557363 487964489 /nfs/dbraw/zinc/96/44/89/487964489.db2.gz QGDRPWPXDUGJMJ-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1ncc([C@H](C)N2CCCO[C@H](C)C2)c(C)n1 ZINC000682438364 487964082 /nfs/dbraw/zinc/96/40/82/487964082.db2.gz BZXQMIMVRDGBQW-PWSUYJOCSA-N 0 1 249.358 2.265 20 0 BEADMN COCc1cc(CNCCCC2CCC2)no1 ZINC000668584341 487965719 /nfs/dbraw/zinc/96/57/19/487965719.db2.gz SFDBRRXIEXTUID-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN CC[C@@]1(C)CN([C@H]2COC(C)(C)C2)CCO1 ZINC000660381021 487966606 /nfs/dbraw/zinc/96/66/06/487966606.db2.gz QWVHOZCNQVYNMA-YPMHNXCESA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](O)CCCN[C@H](C)c1cscn1 ZINC000130197978 325023137 /nfs/dbraw/zinc/02/31/37/325023137.db2.gz BIFINKSJLDNJIA-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1cccc(C)c1 ZINC000070938161 325045573 /nfs/dbraw/zinc/04/55/73/325045573.db2.gz LZDZIHZUNHHAGD-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCCC(=O)[O-] ZINC000071286359 325066698 /nfs/dbraw/zinc/06/66/98/325066698.db2.gz PRIKVAYLWAEIGR-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN c1[nH]nnc1SCc1nc(C2CC2)cs1 ZINC000543144180 325074352 /nfs/dbraw/zinc/07/43/52/325074352.db2.gz YLOPWMQEOAANSH-UHFFFAOYSA-N 0 1 238.341 2.431 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@H]2CCCOC2)o1 ZINC000543505036 325091377 /nfs/dbraw/zinc/09/13/77/325091377.db2.gz NSLZNOSIQIQXJW-QWRGUYRKSA-N 0 1 238.331 2.142 20 0 BEADMN O[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000543630737 325098432 /nfs/dbraw/zinc/09/84/32/325098432.db2.gz AMRHLGFXHBHRFO-BIOMNHJASA-N 0 1 239.265 2.045 20 0 BEADMN Cc1nc(CC[N@H+](C)[C@H]2CCSC2)cs1 ZINC000133130571 325270431 /nfs/dbraw/zinc/27/04/31/325270431.db2.gz KQDTYUADZMKXHG-NSHDSACASA-N 0 1 242.413 2.431 20 0 BEADMN C[C@@H]1CCN(c2ccncc2C(N)=O)CC1(C)C ZINC000546580538 325288393 /nfs/dbraw/zinc/28/83/93/325288393.db2.gz VCXRQAJAULKYLK-SNVBAGLBSA-N 0 1 247.342 2.053 20 0 BEADMN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000133390991 325292930 /nfs/dbraw/zinc/29/29/30/325292930.db2.gz OGMCOJTYWGFWAO-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cn(C(C)C)nc1C ZINC000546656569 325299371 /nfs/dbraw/zinc/29/93/71/325299371.db2.gz BCGLYQOFBDXRJR-CHWSQXEVSA-N 0 1 237.347 2.039 20 0 BEADMN CC(C)(C)CCNC(=O)CN1CCCCC1 ZINC000076406756 325343687 /nfs/dbraw/zinc/34/36/87/325343687.db2.gz DRPKDIUVHNGTNH-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN c1cc(CNCc2cnn3ccccc23)co1 ZINC000134397536 325357358 /nfs/dbraw/zinc/35/73/58/325357358.db2.gz DIWVRTVHZXJYMR-UHFFFAOYSA-N 0 1 227.267 2.217 20 0 BEADMN Cc1cc(C(=O)N(C(C)C)C2CCC2)n[nH]1 ZINC000077124160 325366140 /nfs/dbraw/zinc/36/61/40/325366140.db2.gz PUWQLBNZWRJAOR-UHFFFAOYSA-N 0 1 221.304 2.121 20 0 BEADMN CCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000077242179 325371116 /nfs/dbraw/zinc/37/11/16/325371116.db2.gz SKKAGVRSFPLNCX-LBPRGKRZSA-N 0 1 234.343 2.158 20 0 BEADMN CN(C)C1CN(C(=O)CCCC2CCCC2)C1 ZINC000134958783 325384491 /nfs/dbraw/zinc/38/44/91/325384491.db2.gz YYQAKHNJSSYWKM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)N1[C@H](C)C[C@@H]1C ZINC000547770527 325395479 /nfs/dbraw/zinc/39/54/79/325395479.db2.gz MQJHVPSWLWWKJD-OUAUKWLOSA-N 0 1 226.364 2.162 20 0 BEADMN CCCC[C@H](C(=O)OC)N1[C@@H](C)C[C@@H]1C ZINC000548097699 325427686 /nfs/dbraw/zinc/42/76/86/325427686.db2.gz UPFVPRSZVFYUHJ-GARJFASQSA-N 0 1 213.321 2.201 20 0 BEADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccno1 ZINC000548165247 325437969 /nfs/dbraw/zinc/43/79/69/325437969.db2.gz YEIMBQGBUITUBS-QWHCGFSZSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)N1[C@H](C)C[C@H]1C ZINC000548752719 325477556 /nfs/dbraw/zinc/47/75/56/325477556.db2.gz CNYUJIJOZKHEEX-IJLUTSLNSA-N 0 1 238.375 2.307 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2Cc3ccccc32)n1 ZINC000553910171 325701083 /nfs/dbraw/zinc/70/10/83/325701083.db2.gz GCHKZSFSRCBVFR-CABZTGNLSA-N 0 1 243.310 2.369 20 0 BEADMN Cc1nnsc1CN1CCSC[C@H](C)C1 ZINC000566300030 326030807 /nfs/dbraw/zinc/03/08/07/326030807.db2.gz JUAJHMILMXASLB-MRVPVSSYSA-N 0 1 243.401 2.031 20 0 BEADMN CC[N@H+](Cc1noc(C)c1C(=O)[O-])CC(C)C ZINC000566357627 326036150 /nfs/dbraw/zinc/03/61/50/326036150.db2.gz GDIYOYOWQRGFKM-UHFFFAOYSA-N 0 1 240.303 2.159 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1CC1(C(=O)[O-])CC1 ZINC000566361777 326037558 /nfs/dbraw/zinc/03/75/58/326037558.db2.gz NFYDDFCTJWBMSO-ZJUUUORDSA-N 0 1 211.305 2.114 20 0 BEADMN FC(F)Oc1cc(CNCC2(F)CC2)ccn1 ZINC000566517431 326061412 /nfs/dbraw/zinc/06/14/12/326061412.db2.gz KUCBGQIMJXHRRS-UHFFFAOYSA-N 0 1 246.232 2.275 20 0 BEADMN c1nnc([C@@H](N[C@@H]2CC23CC3)c2ccccc2)[nH]1 ZINC000566614718 326067734 /nfs/dbraw/zinc/06/77/34/326067734.db2.gz KTDFIDALVMHCEA-NEPJUHHUSA-N 0 1 240.310 2.036 20 0 BEADMN CCCCOCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000566625358 326069367 /nfs/dbraw/zinc/06/93/67/326069367.db2.gz POJHMRPNRVGINY-GFCCVEGCSA-N 0 1 245.363 2.234 20 0 BEADMN COc1cc(CN2[C@H](C)C[C@H]2C)cc2c1OCO2 ZINC000566720930 326077068 /nfs/dbraw/zinc/07/70/68/326077068.db2.gz YVKAUXRJJXYQIF-NXEZZACHSA-N 0 1 249.310 2.407 20 0 BEADMN Cc1nc(C)c(CNCC2(F)CC2)s1 ZINC000308718196 326138103 /nfs/dbraw/zinc/13/81/03/326138103.db2.gz CCHNOWKVPUUKKS-UHFFFAOYSA-N 0 1 214.309 2.352 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153954434 326122522 /nfs/dbraw/zinc/12/25/22/326122522.db2.gz HVFRVNKFBPDRTQ-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCOCCN1CCOC2(CCC2)C1 ZINC000154090707 326130197 /nfs/dbraw/zinc/13/01/97/326130197.db2.gz GQLDGPYKLHYLDV-UHFFFAOYSA-N 0 1 227.348 2.058 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cnc(C2CC2)s1 ZINC000309966629 326177372 /nfs/dbraw/zinc/17/73/72/326177372.db2.gz NSLCOSZIZLKWJM-GHMZBOCLSA-N 0 1 238.356 2.288 20 0 BEADMN CCCCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155464857 326197036 /nfs/dbraw/zinc/19/70/36/326197036.db2.gz BPRGZAWRYHQYBL-TXEJJXNPSA-N 0 1 226.364 2.118 20 0 BEADMN C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCC(C)(C)C ZINC000155526604 326199062 /nfs/dbraw/zinc/19/90/62/326199062.db2.gz IBCZDLLPDAQRHT-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCC(C)(C)C ZINC000155526604 326199065 /nfs/dbraw/zinc/19/90/65/326199065.db2.gz IBCZDLLPDAQRHT-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)N(CC)C(=O)[C@@H](C)N1CC(C)C1 ZINC000567626749 326231637 /nfs/dbraw/zinc/23/16/37/326231637.db2.gz WGUBCCVTSSTURL-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@]12C[C@@H]1CCC2 ZINC000567628571 326232642 /nfs/dbraw/zinc/23/26/42/326232642.db2.gz KRSFWSSOQQFUCO-WDMOLILDSA-N 0 1 245.326 2.094 20 0 BEADMN CCCC1(CNC(=O)[C@H]2CCCN2C)CCC1 ZINC000157291267 326265707 /nfs/dbraw/zinc/26/57/07/326265707.db2.gz WXESCAAQFOCGRL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN COc1cccc(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000567915192 326282806 /nfs/dbraw/zinc/28/28/06/326282806.db2.gz KIZXRQPOLWWZSD-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC1 ZINC000568060565 326301949 /nfs/dbraw/zinc/30/19/49/326301949.db2.gz GVCNYHOUQZGJTE-NSHDSACASA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@@]1(C)C[C@@H](N(C)Cc2cnccn2)C1(C)C ZINC000568017215 326296642 /nfs/dbraw/zinc/29/66/42/326296642.db2.gz WVEGAEPLVAGBDA-OCCSQVGLSA-N 0 1 249.358 2.112 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC[C@@H](C)C(C)(C)C1 ZINC000568168194 326318967 /nfs/dbraw/zinc/31/89/67/326318967.db2.gz ZTHGGIUHFJNYSC-GHMZBOCLSA-N 0 1 248.374 2.318 20 0 BEADMN CC(C)CN(C(=O)[C@H](C)N1CC(C)C1)C(C)C ZINC000568192871 326323937 /nfs/dbraw/zinc/32/39/37/326323937.db2.gz WWMROZYEEZLBCK-ZDUSSCGKSA-N 0 1 240.391 2.220 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000568205154 326325657 /nfs/dbraw/zinc/32/56/57/326325657.db2.gz FWXOMUSIAJPEGE-SNVBAGLBSA-N 0 1 237.347 2.141 20 0 BEADMN C[C@@H]1CN(CCSCC2CC2)C[C@@H](C)O1 ZINC000568270494 326338425 /nfs/dbraw/zinc/33/84/25/326338425.db2.gz HXGVWXARABHWNX-GHMZBOCLSA-N 0 1 229.389 2.239 20 0 BEADMN Cc1ccc(CCNCc2nc(C)c(C)[nH]2)o1 ZINC000568272876 326338597 /nfs/dbraw/zinc/33/85/97/326338597.db2.gz BTTHFAJXFZZZHG-UHFFFAOYSA-N 0 1 233.315 2.260 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1cnccn1 ZINC000568364716 326349813 /nfs/dbraw/zinc/34/98/13/326349813.db2.gz KQSCYAUJNRWFDF-NSHDSACASA-N 0 1 239.388 2.440 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000568404552 326354826 /nfs/dbraw/zinc/35/48/26/326354826.db2.gz YZMBZTQNNSRYNL-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1nc2ccccc2o1 ZINC000568534804 326364194 /nfs/dbraw/zinc/36/41/94/326364194.db2.gz CSZYTFSBGVJKDP-VIFPVBQESA-N 0 1 248.282 2.123 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2C[C@H]2C2CCC2)[nH]1 ZINC000568874194 326380659 /nfs/dbraw/zinc/38/06/59/326380659.db2.gz RCZUDYSXSVKKNT-UWVGGRQHSA-N 0 1 243.314 2.153 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1cnccn1 ZINC000569195689 326394549 /nfs/dbraw/zinc/39/45/49/326394549.db2.gz XBBGOMGFOAPYNV-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](O)C2(C)C)sc1C ZINC000163427153 326401709 /nfs/dbraw/zinc/40/17/09/326401709.db2.gz LXEKEVYDLMZDMX-NXEZZACHSA-N 0 1 240.372 2.009 20 0 BEADMN C[C@@H](N[C@@H](C)C(F)F)C1CCOCC1 ZINC000235530095 487980021 /nfs/dbraw/zinc/98/00/21/487980021.db2.gz JBZGCSTVJJSSJJ-SFYZADRCSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1nccc(N[C@@H]2COC(C)(C)C2)c1Cl ZINC000396561183 487982863 /nfs/dbraw/zinc/98/28/63/487982863.db2.gz SYUCQYMTTMVPAL-VIFPVBQESA-N 0 1 240.734 2.445 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000682071192 487985477 /nfs/dbraw/zinc/98/54/77/487985477.db2.gz CIBVLIAKVJYABU-LBPRGKRZSA-N 0 1 249.358 2.449 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666027472 487986637 /nfs/dbraw/zinc/98/66/37/487986637.db2.gz RZDGHVVWMYBBHK-GHMZBOCLSA-N 0 1 249.358 2.018 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)N(C)C ZINC000666028365 487987866 /nfs/dbraw/zinc/98/78/66/487987866.db2.gz UYMOYGRNJHWANH-SRVKXCTJSA-N 0 1 240.391 2.268 20 0 BEADMN CCN1CCN(C(=O)CCC2CCC2)C[C@H]1C ZINC000677174715 487988616 /nfs/dbraw/zinc/98/86/16/487988616.db2.gz WIUYFEMSJYQDPK-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC000666033771 487990525 /nfs/dbraw/zinc/99/05/25/487990525.db2.gz TWXGHCPIBJIETL-CQSZACIVSA-N 0 1 247.342 2.471 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677177407 487990448 /nfs/dbraw/zinc/99/04/48/487990448.db2.gz NCYLFOWVQDFUJX-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CCN(C(=O)CCC(C)(C)C)C[C@H]1C ZINC000677177499 487991909 /nfs/dbraw/zinc/99/19/09/487991909.db2.gz OMBQXARPHAJUDX-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccncc1Cl ZINC000084085747 487998870 /nfs/dbraw/zinc/99/88/70/487998870.db2.gz XZVGEBHQYGVQGW-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CC[C@@](C)(NCc1csnn1)C1CC1 ZINC000668611375 488004910 /nfs/dbraw/zinc/00/49/10/488004910.db2.gz DEVSWQMFAMQEJG-SNVBAGLBSA-N 0 1 211.334 2.206 20 0 BEADMN CCOC(=O)CN(C)CC1CCCCCC1 ZINC000128599282 488009459 /nfs/dbraw/zinc/00/94/59/488009459.db2.gz JRAQZNKZIKJNQM-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)C ZINC000165508663 488011993 /nfs/dbraw/zinc/01/19/93/488011993.db2.gz MGYDSSGYGGOYCL-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H](Cc1ccccn1)NCc1cscn1 ZINC000655842973 488012764 /nfs/dbraw/zinc/01/27/64/488012764.db2.gz GNYODJGRPMBJMK-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN CCN(CC)Cc1cc(C(F)(F)F)nn1C ZINC000667469779 488015908 /nfs/dbraw/zinc/01/59/08/488015908.db2.gz DLRFKDKRPCZMBX-UHFFFAOYSA-N 0 1 235.253 2.281 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(CC2CC2)CC1 ZINC000682694347 488020396 /nfs/dbraw/zinc/02/03/96/488020396.db2.gz DVQCKTOKAMVJSS-YIXHJXPBSA-N 0 1 248.370 2.063 20 0 BEADMN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ncn(C)n1 ZINC000391875611 488024037 /nfs/dbraw/zinc/02/40/37/488024037.db2.gz MZOIBAOQLNCJDF-UWVGGRQHSA-N 0 1 224.352 2.290 20 0 BEADMN CCCN(C)Cc1cc(C(F)(F)F)nn1C ZINC000667496070 488028574 /nfs/dbraw/zinc/02/85/74/488028574.db2.gz GXVDXOAVEKIDPY-UHFFFAOYSA-N 0 1 235.253 2.281 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cn(C2CCC2)nn1 ZINC000667511907 488034563 /nfs/dbraw/zinc/03/45/63/488034563.db2.gz YCFJRQWDUANQQA-SNVBAGLBSA-N 0 1 234.347 2.233 20 0 BEADMN Cc1ccc(F)c(CN(C)C[C@@H](O)C2CC2)c1 ZINC000685461474 488038997 /nfs/dbraw/zinc/03/89/97/488038997.db2.gz NCWQJBXJUFTZBO-CQSZACIVSA-N 0 1 237.318 2.337 20 0 BEADMN CCc1nc(SCc2cc(C)ccn2)n[nH]1 ZINC000682849765 488053105 /nfs/dbraw/zinc/05/31/05/488053105.db2.gz ZEFOTNLVUBRPDB-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2cc(C)ccn2)n1 ZINC000682849765 488053111 /nfs/dbraw/zinc/05/31/11/488053111.db2.gz ZEFOTNLVUBRPDB-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN c1n[nH]cc1CN[C@@H](c1cccnc1)C1CC1 ZINC000677521469 488064102 /nfs/dbraw/zinc/06/41/02/488064102.db2.gz STYOXSRYYUELHF-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN c1c(CN2C[C@H]3CCC[C@@H]3C2)nnn1C1CCC1 ZINC000667643286 488068140 /nfs/dbraw/zinc/06/81/40/488068140.db2.gz ZVWUSCFVXJTVII-VXGBXAGGSA-N 0 1 246.358 2.235 20 0 BEADMN c1c(CN2C[C@@H]3CCC[C@@H]3C2)nnn1C1CCC1 ZINC000667643285 488068207 /nfs/dbraw/zinc/06/82/07/488068207.db2.gz ZVWUSCFVXJTVII-TXEJJXNPSA-N 0 1 246.358 2.235 20 0 BEADMN Cc1ncccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397016416 488071966 /nfs/dbraw/zinc/07/19/66/488071966.db2.gz KOAPWEWMVYXOLI-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncccc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397016413 488071789 /nfs/dbraw/zinc/07/17/89/488071789.db2.gz KOAPWEWMVYXOLI-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@H]1C ZINC000682955635 488072559 /nfs/dbraw/zinc/07/25/59/488072559.db2.gz UDOWAUBWVLIBMI-XCBNKYQSSA-N 0 1 229.283 2.466 20 0 BEADMN CCCn1nccc1C[N@@H+]1CC=C(C)CC1 ZINC000667649966 488073007 /nfs/dbraw/zinc/07/30/07/488073007.db2.gz HXHGZRDGCPNNHC-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CCCn1nccc1CN1CC=C(C)CC1 ZINC000667649966 488073011 /nfs/dbraw/zinc/07/30/11/488073011.db2.gz HXHGZRDGCPNNHC-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cncs2)C1 ZINC000389206738 488081986 /nfs/dbraw/zinc/08/19/86/488081986.db2.gz ZWLVVDDGXMUPCY-QWRGUYRKSA-N 0 1 239.388 2.278 20 0 BEADMN Cc1ccnc(CN(C)C[C@H]2CCCCO2)c1 ZINC000683004941 488087017 /nfs/dbraw/zinc/08/70/17/488087017.db2.gz SKRBZKWIPFGLKZ-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN O=C1NCCCC[C@H]1N1CC[C@@H]1c1ccccc1 ZINC000677687083 488092971 /nfs/dbraw/zinc/09/29/71/488092971.db2.gz CXCPGEBUUTYQDS-ZIAGYGMSSA-N 0 1 244.338 2.102 20 0 BEADMN Cc1ccnc(CN2CCCOC[C@@H]2C)c1 ZINC000683018008 488093161 /nfs/dbraw/zinc/09/31/61/488093161.db2.gz JYOBCFKVKIPBIY-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)s1 ZINC000378683453 488099837 /nfs/dbraw/zinc/09/98/37/488099837.db2.gz ZFEMJHNEXFWVEV-IEBDPFPHSA-N 0 1 238.356 2.115 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC(C)(F)C2)[nH]1 ZINC000670100434 488102256 /nfs/dbraw/zinc/10/22/56/488102256.db2.gz REBFRVFYEXMWRT-UHFFFAOYSA-N 0 1 247.273 2.055 20 0 BEADMN Nc1cc(N)nc(SCCCC2CCC2)n1 ZINC000657231631 488106953 /nfs/dbraw/zinc/10/69/53/488106953.db2.gz IBLOOMFWNSPCOE-UHFFFAOYSA-N 0 1 238.360 2.313 20 0 BEADMN FC(F)[C@@H]1CCN(Cc2cccnc2)C1 ZINC000677731486 488109599 /nfs/dbraw/zinc/10/95/99/488109599.db2.gz SJQBCYRUTMJQPC-SNVBAGLBSA-N 0 1 212.243 2.169 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)F)C2)on1 ZINC000677733204 488111950 /nfs/dbraw/zinc/11/19/50/488111950.db2.gz PSFJKNCOUJQAAE-QMMMGPOBSA-N 0 1 216.231 2.070 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403167130 488115555 /nfs/dbraw/zinc/11/55/55/488115555.db2.gz BSOUUPXYVKMFQG-YVECIDJPSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403203065 488118118 /nfs/dbraw/zinc/11/81/18/488118118.db2.gz GEOWGPZXRXHGQW-GRYCIOLGSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC000076633884 488127900 /nfs/dbraw/zinc/12/79/00/488127900.db2.gz XDNHJVASRPNVHF-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN Cc1cnc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000639287561 488133002 /nfs/dbraw/zinc/13/30/02/488133002.db2.gz MHCCTVRWVJBMGQ-GMTAPVOTSA-N 0 1 206.289 2.261 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1C1CC1 ZINC000094529163 487539320 /nfs/dbraw/zinc/53/93/20/487539320.db2.gz QPBAYDHNGUPJFT-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)N(C)C ZINC000674264310 487541242 /nfs/dbraw/zinc/54/12/42/487541242.db2.gz USIHQVBEKOBNND-ZETCQYMHSA-N 0 1 244.697 2.368 20 0 BEADMN C[C@@H](O)CCOc1ccnc2c1CCCC2 ZINC000655701772 487543287 /nfs/dbraw/zinc/54/32/87/487543287.db2.gz HQYRPLFTEIUNCX-SNVBAGLBSA-N 0 1 221.300 2.110 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(CN)o1 ZINC000094572815 487543886 /nfs/dbraw/zinc/54/38/86/487543886.db2.gz YBDUQJQUWKMCJS-NXEZZACHSA-N 0 1 238.331 2.293 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(CN)o1 ZINC000094572816 487544049 /nfs/dbraw/zinc/54/40/49/487544049.db2.gz YBDUQJQUWKMCJS-VHSXEESVSA-N 0 1 238.331 2.293 20 0 BEADMN CO[C@@H](C)COc1ccnc2c1CCCC2 ZINC000655702446 487544237 /nfs/dbraw/zinc/54/42/37/487544237.db2.gz XFCGBXXNALMOPU-JTQLQIEISA-N 0 1 221.300 2.374 20 0 BEADMN c1cn2c(n1)[C@H](NCCOC1CCCC1)CCC2 ZINC000655702246 487544617 /nfs/dbraw/zinc/54/46/17/487544617.db2.gz QCUVOYRHRRRRFF-CYBMUJFWSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1cc(C[N@@H+]2CC=CCC2)oc1C(=O)[O-] ZINC000382540090 487544992 /nfs/dbraw/zinc/54/49/92/487544992.db2.gz SWAUEVLQLDMXOL-UHFFFAOYSA-N 0 1 221.256 2.048 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791739 487545010 /nfs/dbraw/zinc/54/50/10/487545010.db2.gz XRWMIYJGQQSKBZ-JQWIXIFHSA-N 0 1 246.358 2.155 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000070638133 487545767 /nfs/dbraw/zinc/54/57/67/487545767.db2.gz BZJYUHMXXVSPRF-ZDUSSCGKSA-N 0 1 233.311 2.341 20 0 BEADMN CC1(C)CCC[C@H](C[N@H+]2CCc3n[nH]nc3C2)C1 ZINC000668791364 487546189 /nfs/dbraw/zinc/54/61/89/487546189.db2.gz JCRHVUSZCBHALL-NSHDSACASA-N 0 1 248.374 2.379 20 0 BEADMN CC1(C)CCC[C@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791364 487546191 /nfs/dbraw/zinc/54/61/91/487546191.db2.gz JCRHVUSZCBHALL-NSHDSACASA-N 0 1 248.374 2.379 20 0 BEADMN CCC1(O)CCN(Cc2oc(C)nc2C)CC1 ZINC000685565256 487546555 /nfs/dbraw/zinc/54/65/55/487546555.db2.gz SCAANVIIMUHUCH-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN CC[C@H](C)CCCCC(=O)NCc1c[nH]nn1 ZINC000680206428 487547389 /nfs/dbraw/zinc/54/73/89/487547389.db2.gz HRDCYGDOTKYXHK-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN C[C@@H](C(=O)NCC[C@H]1CCCC[C@H]1C)N(C)C ZINC000674288392 487548211 /nfs/dbraw/zinc/54/82/11/487548211.db2.gz DOXFEJGMAKVOGS-FRRDWIJNSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@H](NCC(F)F)[C@H]1c1ccccc1 ZINC000685582119 487548649 /nfs/dbraw/zinc/54/86/49/487548649.db2.gz TVFQODIUXXAQNC-WCQYABFASA-N 0 1 240.297 2.287 20 0 BEADMN CC[C@H](NC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000674287699 487548681 /nfs/dbraw/zinc/54/86/81/487548681.db2.gz XQXSLTWGAYQHDL-AAEUAGOBSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2[nH]ccc21)N(C)C ZINC000674287348 487548408 /nfs/dbraw/zinc/54/84/08/487548408.db2.gz NNSQDJFUUJQRET-VIFPVBQESA-N 0 1 231.299 2.057 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253737 487553196 /nfs/dbraw/zinc/55/31/96/487553196.db2.gz JCOVCYNBVKYSGW-JTQLQIEISA-N 0 1 235.331 2.378 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000680257511 487553546 /nfs/dbraw/zinc/55/35/46/487553546.db2.gz SIRGIUIHOWAUPA-LLVKDONJSA-N 0 1 245.326 2.442 20 0 BEADMN COc1ccc(CN2CC3(CC3)C2)cc1 ZINC000334743867 487553892 /nfs/dbraw/zinc/55/38/92/487553892.db2.gz XGIPBULNOCKZML-UHFFFAOYSA-N 0 1 203.285 2.291 20 0 BEADMN CC[C@@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680259478 487554732 /nfs/dbraw/zinc/55/47/32/487554732.db2.gz FQBCRARDBQWFCI-SECBINFHSA-N 0 1 221.304 2.132 20 0 BEADMN COCc1csc([C@@H]2CCCCN2)n1 ZINC000231692717 487471183 /nfs/dbraw/zinc/47/11/83/487471183.db2.gz XFFAQOJACPFYEL-VIFPVBQESA-N 0 1 212.318 2.104 20 0 BEADMN CC(C)CNC(=O)CN[C@H](C)c1ccsc1 ZINC000061363514 487473067 /nfs/dbraw/zinc/47/30/67/487473067.db2.gz DFXIXZXTOIPABJ-SNVBAGLBSA-N 0 1 240.372 2.171 20 0 BEADMN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000061363510 487473274 /nfs/dbraw/zinc/47/32/74/487473274.db2.gz NIMBRPJISYQGPX-NXEZZACHSA-N 0 1 240.372 2.313 20 0 BEADMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)NC1CC1 ZINC000061363258 487473293 /nfs/dbraw/zinc/47/32/93/487473293.db2.gz ILHGRILJUWXACQ-RKDXNWHRSA-N 0 1 238.356 2.066 20 0 BEADMN C[C@H](C1CC1)N(C(=O)c1ccc(CN)o1)C1CC1 ZINC000237478428 487475191 /nfs/dbraw/zinc/47/51/91/487475191.db2.gz QWZGDBQXXSWZKY-SECBINFHSA-N 0 1 248.326 2.141 20 0 BEADMN Cn1cc([C@@H](NCc2cn[nH]c2)C(C)(C)C)cn1 ZINC000673932469 487483977 /nfs/dbraw/zinc/48/39/77/487483977.db2.gz WOPCCLMGUBYYOR-GFCCVEGCSA-N 0 1 247.346 2.020 20 0 BEADMN O=C(NCc1cnc[nH]1)c1sccc1C1CC1 ZINC000673935759 487486278 /nfs/dbraw/zinc/48/62/78/487486278.db2.gz PAOKFVZAJGYLER-UHFFFAOYSA-N 0 1 247.323 2.279 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@H](F)C1 ZINC000563330191 487490351 /nfs/dbraw/zinc/49/03/51/487490351.db2.gz YCBCCXYJIFNAMY-QMMMGPOBSA-N 0 1 241.237 2.105 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)[C@H]1CCCCN1C ZINC000673967813 487492340 /nfs/dbraw/zinc/49/23/40/487492340.db2.gz RQGJDRMTVOKTJC-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)[O-] ZINC000403895854 488141854 /nfs/dbraw/zinc/14/18/54/488141854.db2.gz YLQWNGKLJWMEFY-WISYIIOYSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000406083577 487500135 /nfs/dbraw/zinc/50/01/35/487500135.db2.gz YPVBJYPSZRUMFV-SNVBAGLBSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cnc(CN2CCC[C@H](OC)CC2)o1 ZINC000679951446 487501038 /nfs/dbraw/zinc/50/10/38/487501038.db2.gz KNOSPHDLMPRRQT-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CC[C@H](O)CN1CC[C@@H]1c1cccc(F)c1 ZINC000674047598 487503615 /nfs/dbraw/zinc/50/36/15/487503615.db2.gz NWRBPGOTLRXQRO-QWHCGFSZSA-N 0 1 223.291 2.343 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)C1CCCC1 ZINC000674086751 487511016 /nfs/dbraw/zinc/51/10/16/487511016.db2.gz XUSAOQDIOTZSIX-VIFPVBQESA-N 0 1 235.331 2.161 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(C(C)C)CC1 ZINC000682693963 487512158 /nfs/dbraw/zinc/51/21/58/487512158.db2.gz UJDWCNUMKIOFTC-MLPAPPSSSA-N 0 1 236.359 2.061 20 0 BEADMN CCOc1ccc(CN2CC(C)(CO)C2)c(C)c1 ZINC000668233600 487508178 /nfs/dbraw/zinc/50/81/78/487508178.db2.gz DWIXXYZVCXEYIP-UHFFFAOYSA-N 0 1 249.354 2.208 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC000063146960 487515315 /nfs/dbraw/zinc/51/53/15/487515315.db2.gz LIALKTOEFDBGGU-PHIMTYICSA-N 0 1 221.325 2.444 20 0 BEADMN Cc1n[nH]c(C)c1CN(C)CC1=CCSC1 ZINC000668775992 487521792 /nfs/dbraw/zinc/52/17/92/487521792.db2.gz VHQZLBACEQBECJ-UHFFFAOYSA-N 0 1 237.372 2.132 20 0 BEADMN CN(Cc1n[nH]c2ccccc21)[C@H]1CCCOC1 ZINC000685438711 487523228 /nfs/dbraw/zinc/52/32/28/487523228.db2.gz NUHSVJDMOZKJBU-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN CCN(CC(C)C)[C@@H](C)c1nc(C)no1 ZINC000677883407 488146565 /nfs/dbraw/zinc/14/65/65/488146565.db2.gz QTFTYECHMWWCEP-VIFPVBQESA-N 0 1 211.309 2.417 20 0 BEADMN CCNCc1cn(-c2cccc(Cl)c2)nn1 ZINC000085273742 488154777 /nfs/dbraw/zinc/15/47/77/488154777.db2.gz QXAGJRVSUPWZQQ-UHFFFAOYSA-N 0 1 236.706 2.030 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000379913734 488155924 /nfs/dbraw/zinc/15/59/24/488155924.db2.gz OLJOFJPCKAZNJV-UWVGGRQHSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC3(CC3)C2)c1 ZINC000334667189 487535266 /nfs/dbraw/zinc/53/52/66/487535266.db2.gz BPOWPSIZTPSRDQ-UHFFFAOYSA-N 0 1 241.294 2.107 20 0 BEADMN Cc1nccc(N2C[C@@H]3COC[C@@H]3C2)c1Cl ZINC000685918309 487596568 /nfs/dbraw/zinc/59/65/68/487596568.db2.gz AHBGPDJBSWYGOG-AOOOYVTPSA-N 0 1 238.718 2.126 20 0 BEADMN CC(C)C(C)(C)NC(=O)CN1CCC(C)CC1 ZINC000675563602 487748958 /nfs/dbraw/zinc/74/89/58/487748958.db2.gz YVSZOLCNJFRMGO-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1cc(N[C@@H]2CCCc3cn[nH]c32)ncn1 ZINC000675801332 487780654 /nfs/dbraw/zinc/78/06/54/487780654.db2.gz FOWRFQPDVBAUPZ-LLVKDONJSA-N 0 1 243.314 2.252 20 0 BEADMN Cc1nc(NCCCCC(=O)[O-])c(C)c(C)[nH+]1 ZINC000668161612 487856158 /nfs/dbraw/zinc/85/61/58/487856158.db2.gz VGMGHFQICHOIHT-UHFFFAOYSA-N 0 1 237.303 2.069 20 0 BEADMN CCc1csc(N2CCN(CC)[C@@H](C)C2)n1 ZINC000677153180 487984879 /nfs/dbraw/zinc/98/48/79/487984879.db2.gz MUQFOCPVTPXIRF-JTQLQIEISA-N 0 1 239.388 2.236 20 0 BEADMN c1ccc2c(c1)C[C@H]2c1nc([C@@H]2CCCN2)no1 ZINC000090986709 488016862 /nfs/dbraw/zinc/01/68/62/488016862.db2.gz ISMZDQCCBOCYMJ-NEPJUHHUSA-N 0 1 241.294 2.182 20 0 BEADMN c1c(CN2CCC[C@@H]2C2CC2)nnn1C1CCC1 ZINC000667596967 488055841 /nfs/dbraw/zinc/05/58/41/488055841.db2.gz YGIALTBQNFRMLD-CQSZACIVSA-N 0 1 246.358 2.378 20 0 BEADMN CCN(C)c1ccc(CN2CC=CCC2)cn1 ZINC000682997005 488081365 /nfs/dbraw/zinc/08/13/65/488081365.db2.gz DNLPYUAGKMOBCQ-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH]1 ZINC000403415431 488123328 /nfs/dbraw/zinc/12/33/28/488123328.db2.gz VEUPFIASZNXCTQ-KXUCPTDWSA-N 0 1 243.314 2.153 20 0 BEADMN Fc1ccccc1CCN1CCn2cncc2C1 ZINC000685850327 488133300 /nfs/dbraw/zinc/13/33/00/488133300.db2.gz NZWZBJRFOGDQOB-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN COc1cc(CN2CC[C@@H](C(F)F)C2)ccn1 ZINC000677819701 488135339 /nfs/dbraw/zinc/13/53/39/488135339.db2.gz MAYSTAKCYMPCKL-SNVBAGLBSA-N 0 1 242.269 2.177 20 0 BEADMN C[C@H](O)C1(NCc2cccc(O)c2Cl)CC1 ZINC000668702122 488137585 /nfs/dbraw/zinc/13/75/85/488137585.db2.gz WIZFNNLCPZPPCC-QMMMGPOBSA-N 0 1 241.718 2.049 20 0 BEADMN C1CN[C@H](c2noc([C@H]3CCCSC3)n2)C1 ZINC000258896502 488141584 /nfs/dbraw/zinc/14/15/84/488141584.db2.gz OAPIBKQESYMROL-IUCAKERBSA-N 0 1 239.344 2.105 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C3CC3)C2)n[nH]1 ZINC000677877355 488144412 /nfs/dbraw/zinc/14/44/12/488144412.db2.gz WHKCDXOKAMOMDQ-LLVKDONJSA-N 0 1 247.342 2.234 20 0 BEADMN Cc1cc[nH+]c(NC2(CC(=O)[O-])CCC2)c1 ZINC000650776711 488151371 /nfs/dbraw/zinc/15/13/71/488151371.db2.gz GCJUHOVAMXXCRD-UHFFFAOYSA-N 0 1 220.272 2.199 20 0 BEADMN C[N@@H+](Cc1ccc2c(c1)CCO2)CC1(C)COC1 ZINC000683367737 488153659 /nfs/dbraw/zinc/15/36/59/488153659.db2.gz FVYRPIOQXXSZCS-UHFFFAOYSA-N 0 1 247.338 2.090 20 0 BEADMN Cc1cccc2c1CN(Cc1cn[nH]c1)CC2 ZINC000683359360 488153711 /nfs/dbraw/zinc/15/37/11/488153711.db2.gz VPGHQJDRZKHTEW-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN C[C@@H](C[N@H+](C)C[C@H](C)C(=O)[O-])C(C)(C)C ZINC000379826177 488153703 /nfs/dbraw/zinc/15/37/03/488153703.db2.gz WMPSAXZIRFQKGF-UWVGGRQHSA-N 0 1 215.337 2.321 20 0 BEADMN O=C(CCCF)Nc1cccc(-c2nnc[nH]2)c1 ZINC000668715701 488158672 /nfs/dbraw/zinc/15/86/72/488158672.db2.gz NEBLUHQLEAOMGG-UHFFFAOYSA-N 0 1 248.261 2.160 20 0 BEADMN CC(C)(CCOCCc1c[nH]nn1)C1CC1 ZINC000655678171 488168265 /nfs/dbraw/zinc/16/82/65/488168265.db2.gz GMAOHCYNVALYML-UHFFFAOYSA-N 0 1 223.320 2.190 20 0 BEADMN Nc1ccnc(CN2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000134962293 488170114 /nfs/dbraw/zinc/17/01/14/488170114.db2.gz PRDSWUPPKJOAAQ-NEPJUHHUSA-N 0 1 246.358 2.213 20 0 BEADMN COC(C)(C)CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000231032321 488180030 /nfs/dbraw/zinc/18/00/30/488180030.db2.gz GVLKAQQKCSZRHJ-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cnc(CN[C@@H]2CCCC23CC3)o1 ZINC000668028003 488189400 /nfs/dbraw/zinc/18/94/00/488189400.db2.gz VYHDEVXDGSLOJF-SNVBAGLBSA-N 0 1 206.289 2.405 20 0 BEADMN CCc1nnc(SCc2ccncc2)[nH]1 ZINC000077901861 488194379 /nfs/dbraw/zinc/19/43/79/488194379.db2.gz WZWOVQNKSWXVNJ-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN CCc1n[nH]c(SCc2ccncc2)n1 ZINC000077901861 488194381 /nfs/dbraw/zinc/19/43/81/488194381.db2.gz WZWOVQNKSWXVNJ-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H]2CCCC23CC3)n1 ZINC000668050624 488195202 /nfs/dbraw/zinc/19/52/02/488195202.db2.gz WODAYJNLPJPLEP-PSASIEDQSA-N 0 1 221.304 2.361 20 0 BEADMN Fc1cccc2c1CN([C@@H]1CCCOC1)CC2 ZINC000678088962 488195620 /nfs/dbraw/zinc/19/56/20/488195620.db2.gz KKIJTYCQHLUQGD-GFCCVEGCSA-N 0 1 235.302 2.363 20 0 BEADMN Cn1cccc1[C@@H]1CCCN1Cc1cn[nH]c1 ZINC000678125953 488201420 /nfs/dbraw/zinc/20/14/20/488201420.db2.gz YLOGQCUEZCNABX-ZDUSSCGKSA-N 0 1 230.315 2.085 20 0 BEADMN COCC1(N(C)Cc2cnc(C)s2)CC1 ZINC000677728105 488203215 /nfs/dbraw/zinc/20/32/15/488203215.db2.gz ASKSRQMRIPWSQC-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CCN(CCOC)Cc1nn(C)c2ccccc12 ZINC000678133712 488203183 /nfs/dbraw/zinc/20/31/83/488203183.db2.gz BNLDAGVMUKWKPW-UHFFFAOYSA-N 0 1 247.342 2.042 20 0 BEADMN CN(Cc1nn(C)c2ccccc12)C1CC1 ZINC000678140712 488204756 /nfs/dbraw/zinc/20/47/56/488204756.db2.gz JUMQIMZUYKHUEG-UHFFFAOYSA-N 0 1 215.300 2.168 20 0 BEADMN C[C@@H]1CN(C(=O)Nc2ccccc2)[C@@H](C)CN1C ZINC000678142875 488206605 /nfs/dbraw/zinc/20/66/05/488206605.db2.gz BQKGLPCEGXSKGT-NEPJUHHUSA-N 0 1 247.342 2.243 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1Cc1[nH]nc2ccccc21 ZINC000678154119 488209357 /nfs/dbraw/zinc/20/93/57/488209357.db2.gz ZVHLHYHAHWAYGC-MNOVXSKESA-N 0 1 245.326 2.172 20 0 BEADMN C[C@H]1CN(Cc2[nH]nc3ccccc32)[C@@H](C)CO1 ZINC000678154120 488209657 /nfs/dbraw/zinc/20/96/57/488209657.db2.gz ZVHLHYHAHWAYGC-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN CCCn1nccc1CN(CC)C[C@H](C)OC ZINC000668184047 488216922 /nfs/dbraw/zinc/21/69/22/488216922.db2.gz YRYBPYKCVLFMJF-LBPRGKRZSA-N 0 1 239.363 2.150 20 0 BEADMN Cc1cnc(CN[C@H]2CCOC(C)(C)C2)o1 ZINC000231640472 488217931 /nfs/dbraw/zinc/21/79/31/488217931.db2.gz DFMONSRFZPVBBF-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@@H]1C[C@H](NCc2ncc(C)o2)CCO1 ZINC000231640974 488218048 /nfs/dbraw/zinc/21/80/48/488218048.db2.gz CPZARDGEHAPYAF-GHMZBOCLSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC1CCC1 ZINC000398564102 488220220 /nfs/dbraw/zinc/22/02/20/488220220.db2.gz FLZGOQRASBCRPS-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CN(Cc1nnc2ccccn21)C1CCCC1 ZINC000678233417 488221863 /nfs/dbraw/zinc/22/18/63/488221863.db2.gz DINPBNOQZRHVPJ-UHFFFAOYSA-N 0 1 230.315 2.104 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1ccnc(N)c1 ZINC000683785918 488222263 /nfs/dbraw/zinc/22/22/63/488222263.db2.gz FDGNUPXNKULAGO-QMMMGPOBSA-N 0 1 246.314 2.119 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCC1CCC1)C1CC1 ZINC000398720285 488223862 /nfs/dbraw/zinc/22/38/62/488223862.db2.gz IJZNUFKPFZMTQD-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN CC(C)[N@H+](CCC(=O)[O-])CCC1CCC1 ZINC000398810589 488224653 /nfs/dbraw/zinc/22/46/53/488224653.db2.gz XVYCLSRHRDHEBE-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN c1cc(CN2CC[C@@H]2C2CC2)n(CC2CC2)n1 ZINC000668208469 488225162 /nfs/dbraw/zinc/22/51/62/488225162.db2.gz AQZGLEMHDMWSAV-CQSZACIVSA-N 0 1 231.343 2.277 20 0 BEADMN Cc1nnc(NC(=O)C2[C@H]3CCCCCC[C@H]23)[nH]1 ZINC000668210483 488225776 /nfs/dbraw/zinc/22/57/76/488225776.db2.gz CGVCITZWYGZPHH-UWVGGRQHSA-N 0 1 248.330 2.268 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCCC3(CC3)C2)[nH]1 ZINC000668210525 488225798 /nfs/dbraw/zinc/22/57/98/488225798.db2.gz DMZLAVFZVNAAPN-SECBINFHSA-N 0 1 234.303 2.022 20 0 BEADMN CN(CC(=O)NCc1ccccc1)CC1(C)CC1 ZINC000683830223 488229069 /nfs/dbraw/zinc/22/90/69/488229069.db2.gz JGZALGJJMYKZGL-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN Cc1ccc(CN2CCc3cn[nH]c3C2)s1 ZINC000678273132 488233494 /nfs/dbraw/zinc/23/34/94/488233494.db2.gz HXHVQCFKUAQHCJ-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN CCc1ccc(CN2CCc3cn[nH]c3C2)o1 ZINC000678275903 488235431 /nfs/dbraw/zinc/23/54/31/488235431.db2.gz KISCBUHKXCNURU-UHFFFAOYSA-N 0 1 231.299 2.123 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1cn[nH]c1 ZINC000678278843 488236235 /nfs/dbraw/zinc/23/62/35/488236235.db2.gz AFXJOSPNNFYNMR-NSHDSACASA-N 0 1 227.311 2.357 20 0 BEADMN Cc1n[nH]c(C)c1CN(C)CCOC(C)(C)C ZINC000678283807 488237328 /nfs/dbraw/zinc/23/73/28/488237328.db2.gz JPHUXFIDGLAJCP-UHFFFAOYSA-N 0 1 239.363 2.273 20 0 BEADMN FC(F)(F)[C@@H]1CCN(Cc2ccccn2)C1 ZINC000678314677 488239762 /nfs/dbraw/zinc/23/97/62/488239762.db2.gz AOIJBOKKVJOPKB-SECBINFHSA-N 0 1 230.233 2.466 20 0 BEADMN Cc1ccnc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000683917929 488244417 /nfs/dbraw/zinc/24/44/17/488244417.db2.gz QUUIZAYIJZKOCS-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccco2)no1 ZINC000054445372 488258604 /nfs/dbraw/zinc/25/86/04/488258604.db2.gz MPEZGKLSWRPIAS-ZETCQYMHSA-N 0 1 207.233 2.000 20 0 BEADMN CC1(C)CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000684078255 488260572 /nfs/dbraw/zinc/26/05/72/488260572.db2.gz FXXUAVUPLLFQJZ-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CCCC1(F)F ZINC000672622427 488262229 /nfs/dbraw/zinc/26/22/29/488262229.db2.gz HXKBVKPZESCKDM-YUSALJHKSA-N 0 1 244.329 2.247 20 0 BEADMN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCCC1(F)F ZINC000672622424 488262390 /nfs/dbraw/zinc/26/23/90/488262390.db2.gz HXKBVKPZESCKDM-ADEWGFFLSA-N 0 1 244.329 2.247 20 0 BEADMN C(c1nc2c(s1)CCC2)N1CCCC1 ZINC000678497458 488262620 /nfs/dbraw/zinc/26/26/20/488262620.db2.gz QZICFEHKYLTXPW-UHFFFAOYSA-N 0 1 208.330 2.228 20 0 BEADMN CCN(Cc1ncc(C)s1)C[C@H]1CCOC1 ZINC000678514698 488263848 /nfs/dbraw/zinc/26/38/48/488263848.db2.gz QATMCAKWAKNFFC-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN c1n[nH]nc1SCCCC1CCOCC1 ZINC000684094796 488265885 /nfs/dbraw/zinc/26/58/85/488265885.db2.gz OCENZZYDVQKQRU-UHFFFAOYSA-N 0 1 227.333 2.104 20 0 BEADMN CCc1noc(CN(CC2CC2)C2CCC2)n1 ZINC000684628743 488335745 /nfs/dbraw/zinc/33/57/45/488335745.db2.gz SBSVFQAUSWVEBA-UHFFFAOYSA-N 0 1 235.331 2.397 20 0 BEADMN CCCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043585355 488290208 /nfs/dbraw/zinc/29/02/08/488290208.db2.gz WAKPMYDUEREVIT-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(CO)cc2)C[C@@H]1F ZINC000679321144 488335965 /nfs/dbraw/zinc/33/59/65/488335965.db2.gz FXKXPJVHLCTRBL-RISCZKNCSA-N 0 1 237.318 2.359 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2CCC(F)(F)C2)o1 ZINC000684654461 488336237 /nfs/dbraw/zinc/33/62/37/488336237.db2.gz KDDMYAKMCBMPGP-IONNQARKSA-N 0 1 245.273 2.464 20 0 BEADMN OCCN(CCc1ccccc1)CC1(F)CC1 ZINC000684361109 488300545 /nfs/dbraw/zinc/30/05/45/488300545.db2.gz RAGNFIYATYRING-UHFFFAOYSA-N 0 1 237.318 2.026 20 0 BEADMN FC1(F)CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678992412 488301313 /nfs/dbraw/zinc/30/13/13/488301313.db2.gz IEWNSUQSGNDITO-UHFFFAOYSA-N 0 1 237.253 2.404 20 0 BEADMN CO[C@@H]1CCC[C@H](Nc2ccc3nn[nH]c3c2)C1 ZINC000684386516 488303600 /nfs/dbraw/zinc/30/36/00/488303600.db2.gz ULFMYGQBXUQBGD-GXSJLCMTSA-N 0 1 246.314 2.327 20 0 BEADMN CO[C@@H]1CCC[C@H](Nc2ccc3n[nH]nc3c2)C1 ZINC000684386516 488303602 /nfs/dbraw/zinc/30/36/02/488303602.db2.gz ULFMYGQBXUQBGD-GXSJLCMTSA-N 0 1 246.314 2.327 20 0 BEADMN CO[C@H]1CCC[C@@H](Nc2ccc3nn[nH]c3c2)C1 ZINC000684386517 488303641 /nfs/dbraw/zinc/30/36/41/488303641.db2.gz ULFMYGQBXUQBGD-KOLCDFICSA-N 0 1 246.314 2.327 20 0 BEADMN CO[C@H]1CCC[C@@H](Nc2ccc3n[nH]nc3c2)C1 ZINC000684386517 488303643 /nfs/dbraw/zinc/30/36/43/488303643.db2.gz ULFMYGQBXUQBGD-KOLCDFICSA-N 0 1 246.314 2.327 20 0 BEADMN CC[C@H](C)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673731407 488305917 /nfs/dbraw/zinc/30/59/17/488305917.db2.gz WGWLQVPPUYFFLX-YFKPBYRVSA-N 0 1 249.236 2.265 20 0 BEADMN CO[C@H](C)[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127376 488311367 /nfs/dbraw/zinc/31/13/67/488311367.db2.gz MGHMMEVWQVPYBP-GHMZBOCLSA-N 0 1 246.314 2.103 20 0 BEADMN CC[C@@H](COC)Nc1cnn(-c2ccncc2)c1 ZINC000679128677 488311431 /nfs/dbraw/zinc/31/14/31/488311431.db2.gz YBPPJTRJQNCMLK-NSHDSACASA-N 0 1 246.314 2.104 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000679169651 488314490 /nfs/dbraw/zinc/31/44/90/488314490.db2.gz VCANWGFLFHBBSC-GMSGAONNSA-N 0 1 233.267 2.189 20 0 BEADMN C[C@H]1CCN(CCc2ccncc2)C[C@H]1F ZINC000679220982 488319113 /nfs/dbraw/zinc/31/91/13/488319113.db2.gz KNPHATIHDUGVED-WCQYABFASA-N 0 1 222.307 2.304 20 0 BEADMN C[C@H](CO)[C@H](C)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684573845 488328283 /nfs/dbraw/zinc/32/82/83/488328283.db2.gz FHXTUTQDSBIVHC-ZJUUUORDSA-N 0 1 246.310 2.369 20 0 BEADMN COC1(C)CN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684582527 488329147 /nfs/dbraw/zinc/32/91/47/488329147.db2.gz XPJPCDIXFFLSCI-UHFFFAOYSA-N 0 1 244.294 2.166 20 0 BEADMN c1nc(CN2CCC(c3cccnc3)CC2)c[nH]1 ZINC000684619907 488334175 /nfs/dbraw/zinc/33/41/75/488334175.db2.gz WFWFBKIZICTHKP-UHFFFAOYSA-N 0 1 242.326 2.184 20 0 BEADMN c1cc(N2CCCC2)ncc1CN1CC=CCC1 ZINC000679357293 488343800 /nfs/dbraw/zinc/34/38/00/488343800.db2.gz COQIYODNJFXGPK-UHFFFAOYSA-N 0 1 243.354 2.444 20 0 BEADMN CN(C(=O)C(C)(C)c1c[nH]cn1)C1CCCC1 ZINC000684871723 488348643 /nfs/dbraw/zinc/34/86/43/488348643.db2.gz PIQUDZUXOANPCM-UHFFFAOYSA-N 0 1 235.331 2.088 20 0 BEADMN Cc1cc(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000679557421 488358089 /nfs/dbraw/zinc/35/80/89/488358089.db2.gz MWTSKTLVCNSZQC-UWVGGRQHSA-N 0 1 249.358 2.407 20 0 BEADMN c1[nH]nnc1CNCc1ccc(C2CCC2)cc1 ZINC000623578496 490135251 /nfs/dbraw/zinc/13/52/51/490135251.db2.gz JYWGGHTXCJGGNR-UHFFFAOYSA-N 0 1 242.326 2.362 20 0 BEADMN c1cnc([C@H]2CCCN2CC[C@H]2CCCO2)nc1 ZINC000639874155 490139980 /nfs/dbraw/zinc/13/99/80/490139980.db2.gz WROHJDRTCPXOEF-CHWSQXEVSA-N 0 1 247.342 2.183 20 0 BEADMN c1n[nH]cc1CNCc1ccc2ncccc2c1 ZINC000069502055 490163304 /nfs/dbraw/zinc/16/33/04/490163304.db2.gz PYWXFSVBJGJHQB-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)c1ccn[nH]1 ZINC000047991521 490169205 /nfs/dbraw/zinc/16/92/05/490169205.db2.gz RDSYCCLPLVCMAT-JTQLQIEISA-N 0 1 229.283 2.243 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)[C@H]1CCCC[C@@H]1C ZINC000078710516 490220492 /nfs/dbraw/zinc/22/04/92/490220492.db2.gz JZRKZTXCYUQTAY-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc2c1CC[C@H]2NC(=O)[C@H](C)N(C)C ZINC000078733968 490223065 /nfs/dbraw/zinc/22/30/65/490223065.db2.gz OLORWUPUTVCYJH-SMDDNHRTSA-N 0 1 246.354 2.049 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)[C@H](C)N(C)C)c1C ZINC000078744566 490224673 /nfs/dbraw/zinc/22/46/73/490224673.db2.gz PLTFEEQZGQJLKD-STQMWFEESA-N 0 1 248.370 2.431 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N(C)C)[C@H](C)c1ccccc1 ZINC000078759682 490234027 /nfs/dbraw/zinc/23/40/27/490234027.db2.gz WRXMFZQLTGEYRO-XQQFMLRXSA-N 0 1 248.370 2.245 20 0 BEADMN Cc1ncc([C@H](C)NCc2c[nH]nc2C)s1 ZINC000130143218 490237635 /nfs/dbraw/zinc/23/76/35/490237635.db2.gz UBQRRPPYCZOOLU-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CC1CCC(F)(F)CC1 ZINC000659791902 490247386 /nfs/dbraw/zinc/24/73/86/490247386.db2.gz YHWLZMVJXJRBRA-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN C[C@@H](Cc1ccccn1)NCc1nccs1 ZINC000655844678 490260390 /nfs/dbraw/zinc/26/03/90/490260390.db2.gz UPKKOTAVCQVKPT-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cn1 ZINC000228886435 490305046 /nfs/dbraw/zinc/30/50/46/490305046.db2.gz LVHCPSVAXZAPOJ-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1nc2cc(N[C@H]3CO[C@@H](C)C3)ccc2n1C ZINC000647195582 490343885 /nfs/dbraw/zinc/34/38/85/490343885.db2.gz WXTMOGRBVUOWSF-JOYOIKCWSA-N 0 1 245.326 2.471 20 0 BEADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CCC1 ZINC000130637538 490433557 /nfs/dbraw/zinc/43/35/57/490433557.db2.gz ANQDXKIYUCPSSC-SECBINFHSA-N 0 1 243.310 2.481 20 0 BEADMN COCC(C)(C)NCc1nc2c(s1)CCC2 ZINC000128895799 490593968 /nfs/dbraw/zinc/59/39/68/490593968.db2.gz UOKBMUFFQWAIKM-UHFFFAOYSA-N 0 1 240.372 2.146 20 0 BEADMN C[C@@H](CCc1ccc(O)cc1)NCc1ccon1 ZINC000129028806 490596979 /nfs/dbraw/zinc/59/69/79/490596979.db2.gz LFXQVGKVYNVJNJ-NSHDSACASA-N 0 1 246.310 2.491 20 0 BEADMN Cc1[nH]ncc1[C@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000305817609 490621520 /nfs/dbraw/zinc/62/15/20/490621520.db2.gz KGQBZXHIBOYTCB-ONGXEEELSA-N 0 1 239.363 2.166 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(O)cc1 ZINC000131418558 490636959 /nfs/dbraw/zinc/63/69/59/490636959.db2.gz GCXSVIYZVDIKPG-WCQYABFASA-N 0 1 235.327 2.392 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668898774 491059994 /nfs/dbraw/zinc/05/99/94/491059994.db2.gz BFRGNOQRYRBBBV-JTQLQIEISA-N 0 1 249.358 2.162 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757468 491064379 /nfs/dbraw/zinc/06/43/79/491064379.db2.gz NDQRDKDUUVTXHI-VXGBXAGGSA-N 0 1 248.326 2.329 20 0 BEADMN OCC1(CNCc2nccs2)CCCCC1 ZINC000086994280 491065386 /nfs/dbraw/zinc/06/53/86/491065386.db2.gz GFBRNJPLJRBQJF-UHFFFAOYSA-N 0 1 240.372 2.176 20 0 BEADMN CC[C@@H](O)CNCc1nc(C(C)(C)C)cs1 ZINC000229979347 491121799 /nfs/dbraw/zinc/12/17/99/491121799.db2.gz XSYNDKMSDWIENS-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1cncc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000558864009 491124988 /nfs/dbraw/zinc/12/49/88/491124988.db2.gz KZXBAYXRJSDJSK-NSHDSACASA-N 0 1 242.269 2.204 20 0 BEADMN CCn1cc([C@H](C)NCc2ccc(O)cc2)cn1 ZINC000130280448 491127689 /nfs/dbraw/zinc/12/76/89/491127689.db2.gz BRHTUQROLILBAH-NSHDSACASA-N 0 1 245.326 2.459 20 0 BEADMN CCc1ccc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000133336740 491151166 /nfs/dbraw/zinc/15/11/66/491151166.db2.gz UUNCDZINFDUTSG-CYBMUJFWSA-N 0 1 248.370 2.416 20 0 BEADMN C[C@@H](CCn1cccn1)NC(C)(C)C(F)F ZINC000309775287 491156237 /nfs/dbraw/zinc/15/62/37/491156237.db2.gz PMXVLKQJTCYESK-VIFPVBQESA-N 0 1 231.290 2.295 20 0 BEADMN COC(=O)[C@@H]1CCC[C@@H](NCC(C)(F)F)CC1 ZINC001172767367 974934951 /nfs/dbraw/zinc/93/49/51/974934951.db2.gz ZMBTXCWLFNZWJR-NXEZZACHSA-N 0 1 249.301 2.353 20 0 BEADMN CCOCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352194147 535515697 /nfs/dbraw/zinc/51/56/97/535515697.db2.gz IEGUFSDRPXVBHQ-CYBMUJFWSA-N 0 1 237.347 2.363 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@@H]1CCC(C)(C)O1 ZINC000488253041 534020338 /nfs/dbraw/zinc/02/03/38/534020338.db2.gz OYWAGIQVUHMJKV-RYUDHWBXSA-N 0 1 241.375 2.443 20 0 BEADMN COc1ccc(CN(C)[C@H]2CCSC2)o1 ZINC000891601836 582701294 /nfs/dbraw/zinc/70/12/94/582701294.db2.gz KFLWKGFKBIVHOR-VIFPVBQESA-N 0 1 227.329 2.226 20 0 BEADMN CCc1ccc(CN2C[C@@H]3C[C@H]2CS3)nc1 ZINC000335584273 536180112 /nfs/dbraw/zinc/18/01/12/536180112.db2.gz QUUQLQAYWMPJOG-STQMWFEESA-N 0 1 234.368 2.334 20 0 BEADMN CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127572844 582815395 /nfs/dbraw/zinc/81/53/95/582815395.db2.gz CQEULNOAUIFYME-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN CCCCC1(NC(=O)[C@@H]2CCCCN2C)CC1 ZINC000889530494 582823179 /nfs/dbraw/zinc/82/31/79/582823179.db2.gz UQDGYUCUUBNCMU-LBPRGKRZSA-N 0 1 238.375 2.310 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000113262055 582863612 /nfs/dbraw/zinc/86/36/12/582863612.db2.gz XPDPQHPIWACRQT-PHIMTYICSA-N 0 1 240.347 2.090 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000336198701 534888505 /nfs/dbraw/zinc/88/85/05/534888505.db2.gz OKYGFTWNGJQVMP-ABAIWWIYSA-N 0 1 247.338 2.092 20 0 BEADMN CCCN1CCN(C(=O)CC(CC)CC)CC1 ZINC000345570998 534917418 /nfs/dbraw/zinc/91/74/18/534917418.db2.gz QZWIWIZTXCHHPF-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN C/C=C/C=C\C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000493001249 527599264 /nfs/dbraw/zinc/59/92/64/527599264.db2.gz BCWKBWGCQGYPEI-AEZRLJEFSA-N 0 1 236.359 2.060 20 0 BEADMN COC[C@@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000349249412 536525028 /nfs/dbraw/zinc/52/50/28/536525028.db2.gz XHSOLKPGXGAHFL-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CCOc1c(Cl)cccc1CN(C)CCO ZINC000494426947 528177409 /nfs/dbraw/zinc/17/74/09/528177409.db2.gz RHFMYEJHTWHPLA-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CC/C=C/CCN1CCN(CC)C(=O)[C@H]1CC ZINC000495206930 528770187 /nfs/dbraw/zinc/77/01/87/528770187.db2.gz ALOLUJUXFYMMQF-SBDDDAINSA-N 0 1 238.375 2.285 20 0 BEADMN CCN1CCN(C(=O)/C=C/C(C)(C)C)[C@@H](C)C1 ZINC000492806826 529108625 /nfs/dbraw/zinc/10/86/25/529108625.db2.gz XOVUIPFLNIDOTD-GUOLPTJISA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1ncnn1CC ZINC000488164751 529254015 /nfs/dbraw/zinc/25/40/15/529254015.db2.gz KQWVKTQMECJVBT-QWRGUYRKSA-N 0 1 222.336 2.061 20 0 BEADMN CC(C)N1CCN(c2cccc(F)c2F)CC1 ZINC000265242461 535204823 /nfs/dbraw/zinc/20/48/23/535204823.db2.gz UJFZDCXSZPSIDL-UHFFFAOYSA-N 0 1 240.297 2.495 20 0 BEADMN CCC[C@H]1CCCN(c2ccncc2C(N)=O)C1 ZINC000302173571 535729601 /nfs/dbraw/zinc/72/96/01/535729601.db2.gz VLBBUVOAHGUEDA-NSHDSACASA-N 0 1 247.342 2.197 20 0 BEADMN CC[C@@H]1CC[C@H](c2nc(C3(N)CCC3)no2)O1 ZINC000261888064 535824628 /nfs/dbraw/zinc/82/46/28/535824628.db2.gz XCAATRIFZUPDFU-RKDXNWHRSA-N 0 1 237.303 2.038 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1CCC(C)(C)O1 ZINC000184657387 535834488 /nfs/dbraw/zinc/83/44/88/535834488.db2.gz OFSNKRCJZIHPLM-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CN(C(=O)C(C)(C)c1c[nH]cn1)C1CC(C)(C)C1 ZINC000335130972 535956377 /nfs/dbraw/zinc/95/63/77/535956377.db2.gz OIAOTQKEKPYURN-UHFFFAOYSA-N 0 1 249.358 2.334 20 0 BEADMN CC[C@H](C)[C@H](Nc1cccc(C)[nH+]1)C(=O)[O-] ZINC000257648133 535984871 /nfs/dbraw/zinc/98/48/71/535984871.db2.gz JHSSJDVEXMEAOK-KWQFWETISA-N 0 1 222.288 2.301 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)c1ccccc1 ZINC000335573704 536137443 /nfs/dbraw/zinc/13/74/43/536137443.db2.gz CLCLIBZNMJMRFP-AWEZNQCLSA-N 0 1 246.354 2.243 20 0 BEADMN CCc1ccc(CC[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000262090987 536169490 /nfs/dbraw/zinc/16/94/90/536169490.db2.gz GZNKXSBOZXADGS-AWEZNQCLSA-N 0 1 247.338 2.341 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CCCC2(CC2)C1 ZINC000351994395 536649859 /nfs/dbraw/zinc/64/98/59/536649859.db2.gz MRCGXFODFDPHHE-LBPRGKRZSA-N 0 1 239.359 2.450 20 0 BEADMN CO[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000334425832 536687821 /nfs/dbraw/zinc/68/78/21/536687821.db2.gz UZZCIGFGCLKZSV-LLVKDONJSA-N 0 1 209.264 2.046 20 0 BEADMN COC1CC(NCc2nc(C)c(C)s2)C1 ZINC000221203991 536721848 /nfs/dbraw/zinc/72/18/48/536721848.db2.gz JQXAIGQPTKKXFF-UHFFFAOYSA-N 0 1 226.345 2.027 20 0 BEADMN c1cc2cccc(CNCc3cncnc3)c2[nH]1 ZINC000342308076 538104625 /nfs/dbraw/zinc/10/46/25/538104625.db2.gz XUINSGYMKMMWGY-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CCCOC1CN([C@H]2CCC[C@H](OC)C2)C1 ZINC001172938300 974994155 /nfs/dbraw/zinc/99/41/55/974994155.db2.gz KZHCWMVIHSDMBF-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2CC3(CC3)C2)n1 ZINC000854133251 583075784 /nfs/dbraw/zinc/07/57/84/583075784.db2.gz WQFMBXHPZOMWEH-SECBINFHSA-N 0 1 221.304 2.383 20 0 BEADMN CC[C@@H](C)CN(C)CN1CCSC1=S ZINC000111165812 588725334 /nfs/dbraw/zinc/72/53/34/588725334.db2.gz KXFVENFOKATRGW-SECBINFHSA-N 0 1 232.418 2.256 20 0 BEADMN CCc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1 ZINC000853215950 588725406 /nfs/dbraw/zinc/72/54/06/588725406.db2.gz VQIMJKJNZYWIQY-SECBINFHSA-N 0 1 245.282 2.285 20 0 BEADMN C[C@H](OC(=O)C1CCCCCC1)c1nnc[nH]1 ZINC000853218474 588725865 /nfs/dbraw/zinc/72/58/65/588725865.db2.gz MJWGSVBMIRGDDV-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000853221119 588725997 /nfs/dbraw/zinc/72/59/97/588725997.db2.gz UGYCTJOXBYULTM-UTLUCORTSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)C1CCCC1 ZINC000853220690 588726094 /nfs/dbraw/zinc/72/60/94/588726094.db2.gz MYEOQXIIXGRDMO-BDAKNGLRSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)[C@@H](C)C1CCCC1)c1nnc[nH]1 ZINC000853220692 588726142 /nfs/dbraw/zinc/72/61/42/588726142.db2.gz MYEOQXIIXGRDMO-IUCAKERBSA-N 0 1 237.303 2.235 20 0 BEADMN CCC(CC)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853220676 588726241 /nfs/dbraw/zinc/72/62/41/588726241.db2.gz MRQVPBQZHIEXIU-QMMMGPOBSA-N 0 1 225.292 2.235 20 0 BEADMN CCCc1occc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853223149 588726425 /nfs/dbraw/zinc/72/64/25/588726425.db2.gz GWQKNYLUTWDTPJ-MRVPVSSYSA-N 0 1 249.270 2.268 20 0 BEADMN CC(C)n1cccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853223495 588726748 /nfs/dbraw/zinc/72/67/48/588726748.db2.gz ZPDARYGHBNBCAJ-VIFPVBQESA-N 0 1 248.286 2.105 20 0 BEADMN C[C@H](OC(=O)[C@]1(C)CCC[C@@H]1C)c1nnc[nH]1 ZINC000853224454 588726895 /nfs/dbraw/zinc/72/68/95/588726895.db2.gz GOAVGYJQVCOHTF-HOTUBEGUSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)c1occc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853223788 588727003 /nfs/dbraw/zinc/72/70/03/588727003.db2.gz QISHIQRFHZLHIX-MRVPVSSYSA-N 0 1 249.270 2.439 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCCC[C@H]1C)c1nnc[nH]1 ZINC000853225948 588727213 /nfs/dbraw/zinc/72/72/13/588727213.db2.gz TUJZIKRCYMCHSS-KXUCPTDWSA-N 0 1 237.303 2.235 20 0 BEADMN CC[C@H](CC(F)F)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225008 588727221 /nfs/dbraw/zinc/72/72/21/588727221.db2.gz JUARYGHOZBAYGJ-RNFRBKRXSA-N 0 1 247.245 2.090 20 0 BEADMN CC[C@H](CC(F)F)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225007 588727328 /nfs/dbraw/zinc/72/73/28/588727328.db2.gz JUARYGHOZBAYGJ-NKWVEPMBSA-N 0 1 247.245 2.090 20 0 BEADMN CC[C@H](CC(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225223 588727362 /nfs/dbraw/zinc/72/73/62/588727362.db2.gz MTALGJJEVVRNLN-VHSXEESVSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@@H](OC(=O)[C@@H](C)CC(C)(C)C)c1nnc[nH]1 ZINC000853224912 588727441 /nfs/dbraw/zinc/72/74/41/588727441.db2.gz IYCXLVMZRAQTGC-DTWKUNHWSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@@H](OC(=O)C1(C)CCCCC1)c1nnc[nH]1 ZINC000853226333 588727564 /nfs/dbraw/zinc/72/75/64/588727564.db2.gz VMUIUQVZKROPDM-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)[C@@H](F)c1ccccc1)c1nnc[nH]1 ZINC000853226590 588727805 /nfs/dbraw/zinc/72/78/05/588727805.db2.gz YMVVHPPRIRLOOB-WPRPVWTQSA-N 0 1 249.245 2.120 20 0 BEADMN CC(C)[C@H]1CCN(CN2CCC(C)(C)C2)C1=O ZINC000853500209 588746296 /nfs/dbraw/zinc/74/62/96/588746296.db2.gz OOLFAWLTBQHXFY-GFCCVEGCSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@@H]1CCN(CN(C(C)C)C2CC2)C1=O ZINC000853489566 588745577 /nfs/dbraw/zinc/74/55/77/588745577.db2.gz SNCBBDYHFVHGQK-ZDUSSCGKSA-N 0 1 238.375 2.321 20 0 BEADMN CC[C@@H](C)CN(C)CN1CC[C@H](C(C)C)C1=O ZINC000853494158 588745909 /nfs/dbraw/zinc/74/59/09/588745909.db2.gz KUKGLYCHEXFKJC-CHWSQXEVSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)CN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853492377 588746030 /nfs/dbraw/zinc/74/60/30/588746030.db2.gz OCMGLLSMKFCVRY-LBPRGKRZSA-N 0 1 226.364 2.036 20 0 BEADMN O=C1CC2(CCCC2)CN1CN1CC[C@H]2C[C@H]2C1 ZINC000853575491 588749352 /nfs/dbraw/zinc/74/93/52/588749352.db2.gz GMHQBNBADGICCP-STQMWFEESA-N 0 1 248.370 2.078 20 0 BEADMN C[C@@H]1CN(CN(C)C[C@@H]2CC2(C)C)C(=O)[C@H]1C ZINC000853628709 588751084 /nfs/dbraw/zinc/75/10/84/588751084.db2.gz WPHGSRVHVGDTEE-WOPDTQHZSA-N 0 1 238.375 2.036 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1C(=O)CC12CCC2 ZINC000853628370 588751133 /nfs/dbraw/zinc/75/11/33/588751133.db2.gz TVLFBSSDKVQXIQ-NSHDSACASA-N 0 1 236.359 2.077 20 0 BEADMN CCC(N)=NOC[C@@H](OC)C1CCCC1 ZINC000853655689 588752676 /nfs/dbraw/zinc/75/26/76/588752676.db2.gz ANXXGRGRGAFVBD-SNVBAGLBSA-N 0 1 214.309 2.100 20 0 BEADMN CC(C)NCc1nc(-c2ccc(Cl)o2)no1 ZINC000854153798 588776994 /nfs/dbraw/zinc/77/69/94/588776994.db2.gz ULQWPIHWJBUIBL-UHFFFAOYSA-N 0 1 241.678 2.481 20 0 BEADMN CN(C)C1(C(=O)NC2CCCCCCC2)CC1 ZINC000854169148 588777556 /nfs/dbraw/zinc/77/75/56/588777556.db2.gz MSLCSSUJGZLGHA-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CCc1ccc(CC(=O)NOCCC2CC2)nc1 ZINC000854640363 588798883 /nfs/dbraw/zinc/79/88/83/588798883.db2.gz QQBVBYCIMGZCIL-UHFFFAOYSA-N 0 1 248.326 2.034 20 0 BEADMN O=C(NOC1CCC1)[C@H]1CCc2cc(F)ccc21 ZINC000854752648 588805526 /nfs/dbraw/zinc/80/55/26/588805526.db2.gz INGSZGFIUROKOZ-ZDUSSCGKSA-N 0 1 249.285 2.456 20 0 BEADMN CCCCCCN1CCNC(=O)[C@H]1C(C)C ZINC000112679573 588811985 /nfs/dbraw/zinc/81/19/85/588811985.db2.gz CZNMHQWTMKPNAP-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CC/C(=C/C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000855134171 588822639 /nfs/dbraw/zinc/82/26/39/588822639.db2.gz HNVSSYNUZTYHTG-OYUORYAFSA-N 0 1 233.315 2.115 20 0 BEADMN CCC/C(C)=C/C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000804815176 582564431 /nfs/dbraw/zinc/56/44/31/582564431.db2.gz PDULSNPFEBCLBI-FCZSHJHJSA-N 0 1 236.319 2.037 20 0 BEADMN CCC/C(C)=C\C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000804815180 582564647 /nfs/dbraw/zinc/56/46/47/582564647.db2.gz PDULSNPFEBCLBI-FUOZMLNRSA-N 0 1 236.319 2.037 20 0 BEADMN Cc1cnc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC000844472794 582594061 /nfs/dbraw/zinc/59/40/61/582594061.db2.gz ZLNDAHXBCQKKSQ-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN CC[C@H](C)CONC([O-])=[NH+]c1ccns1 ZINC000889103885 582612770 /nfs/dbraw/zinc/61/27/70/582612770.db2.gz VCXDBFLHNSADKE-ZETCQYMHSA-N 0 1 229.305 2.242 20 0 BEADMN C[C@H](NCc1coc(C2CC2)n1)[C@H]1CCOC1 ZINC000742376960 582664583 /nfs/dbraw/zinc/66/45/83/582664583.db2.gz JGHOYGFEXXARJS-ONGXEEELSA-N 0 1 236.315 2.067 20 0 BEADMN COc1ccc(CN(C)C[C@H]2CCCCO2)o1 ZINC000891786528 582720833 /nfs/dbraw/zinc/72/08/33/582720833.db2.gz NMYYCRYXVQUKDB-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@@H]1CCCN1Cc1nccn1C1CC1 ZINC000892020407 582763939 /nfs/dbraw/zinc/76/39/39/582763939.db2.gz WOGBEQLKWLHODU-SNVBAGLBSA-N 0 1 205.305 2.202 20 0 BEADMN COc1ccc(CN(C)Cc2cn[nH]c2)c(C)c1 ZINC000892049328 582774198 /nfs/dbraw/zinc/77/41/98/582774198.db2.gz HOCRKAFBTDABPF-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN COc1nccc(CN2C[C@@H](C)[C@H](C)C2)c1F ZINC000892069193 582784267 /nfs/dbraw/zinc/78/42/67/582784267.db2.gz ZASOBYPDXGQVKZ-NXEZZACHSA-N 0 1 238.306 2.317 20 0 BEADMN COc1nccc(CN2C[C@H](C)C[C@H]2C)c1F ZINC000892103610 582791132 /nfs/dbraw/zinc/79/11/32/582791132.db2.gz KTHIJHABJPEBFD-NXEZZACHSA-N 0 1 238.306 2.460 20 0 BEADMN CC(=O)C1CCN(Cc2c(C)noc2C)CC1 ZINC000104422671 582793520 /nfs/dbraw/zinc/79/35/20/582793520.db2.gz FPISWMXCSXHVSJ-UHFFFAOYSA-N 0 1 236.315 2.092 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@@H]2CCCCN2C)cc1 ZINC000113789900 588853918 /nfs/dbraw/zinc/85/39/18/588853918.db2.gz DHLRKBDKLYXQSE-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CCCCC1(NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC000889530486 582822849 /nfs/dbraw/zinc/82/28/49/582822849.db2.gz UDSJFLOYGKQHMU-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCCCCC2)C1 ZINC000725803894 582860740 /nfs/dbraw/zinc/86/07/40/582860740.db2.gz SIWUZVXMEOLSBH-CYBMUJFWSA-N 0 1 238.375 2.121 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1ccccc1Cl ZINC000892451601 582889677 /nfs/dbraw/zinc/88/96/77/582889677.db2.gz XXPHGTAAFUHLHE-SECBINFHSA-N 0 1 241.718 2.381 20 0 BEADMN CC[C@@H]1CCCN(c2nc(C)cc(N)n2)CC1 ZINC000892581748 582921723 /nfs/dbraw/zinc/92/17/23/582921723.db2.gz WRSDTFIXJBWTOI-LLVKDONJSA-N 0 1 234.347 2.384 20 0 BEADMN Cc1occc1CNCc1cnn(C)c1C1CC1 ZINC000892663153 582944408 /nfs/dbraw/zinc/94/44/08/582944408.db2.gz TVSXEVFUACQWFN-UHFFFAOYSA-N 0 1 245.326 2.489 20 0 BEADMN Cn1cccc1CNc1nccn1C1CC1 ZINC000840887036 582947919 /nfs/dbraw/zinc/94/79/19/582947919.db2.gz FZFWKTHDWKMUBM-UHFFFAOYSA-N 0 1 216.288 2.169 20 0 BEADMN Cc1cc(N)nc(N2CCCC(C)(C)CC2)n1 ZINC000892674370 582949107 /nfs/dbraw/zinc/94/91/07/582949107.db2.gz IOKOUKSEWDQTHE-UHFFFAOYSA-N 0 1 234.347 2.384 20 0 BEADMN CC(C)[C@@H](C(=O)OCC[C@@H]1CC1(F)F)N(C)C ZINC000851384174 582958090 /nfs/dbraw/zinc/95/80/90/582958090.db2.gz DFMORAGTLYMGKG-ZJUUUORDSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)o1 ZINC000783738906 582961813 /nfs/dbraw/zinc/96/18/13/582961813.db2.gz DEFRHMIKNGMRDX-REJLFOLJSA-N 0 1 247.338 2.217 20 0 BEADMN FC(F)OCCN(Cc1ccccn1)C1CC1 ZINC000851889283 582976742 /nfs/dbraw/zinc/97/67/42/582976742.db2.gz BXMQKOZZRZCUPD-UHFFFAOYSA-N 0 1 242.269 2.285 20 0 BEADMN COc1ccc(CNCCC(F)(F)F)o1 ZINC000893083098 583045815 /nfs/dbraw/zinc/04/58/15/583045815.db2.gz JOLHYPSGAJKMIH-UHFFFAOYSA-N 0 1 223.194 2.330 20 0 BEADMN Cc1cc(CNCc2ccn(C)c2)cnc1F ZINC000893100593 583049723 /nfs/dbraw/zinc/04/97/23/583049723.db2.gz PGBABASRLIRYPD-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CS[C@@H](C)CNCc1nnc(C2CC2)s1 ZINC000893181909 583065254 /nfs/dbraw/zinc/06/52/54/583065254.db2.gz NJSZJEFZUCWWSL-ZETCQYMHSA-N 0 1 243.401 2.257 20 0 BEADMN COc1ccc(CNc2cc(OC)ccn2)o1 ZINC000893255721 583079462 /nfs/dbraw/zinc/07/94/62/583079462.db2.gz NWSSHXXZCZLBEU-UHFFFAOYSA-N 0 1 234.255 2.304 20 0 BEADMN COCC1(C(=O)NOCC2CCC2)CCCC1 ZINC000856344032 588868345 /nfs/dbraw/zinc/86/83/45/588868345.db2.gz HNJMKPHFPUPDHP-UHFFFAOYSA-N 0 1 241.331 2.041 20 0 BEADMN O=C(NOCC1CCC1)c1cccc2cn[nH]c21 ZINC000856344961 588868554 /nfs/dbraw/zinc/86/85/54/588868554.db2.gz DDOAIRWLPJUSAJ-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN O=C(NOCC1CCC1)[C@@H]1CC1(Cl)Cl ZINC000856346064 588868577 /nfs/dbraw/zinc/86/85/77/588868577.db2.gz NQBKIYBKIQWXPJ-ZETCQYMHSA-N 0 1 238.114 2.028 20 0 BEADMN O=C(NOCC1CCC1)[C@H]1Cc2ccccc21 ZINC000856349373 588869531 /nfs/dbraw/zinc/86/95/31/588869531.db2.gz MGVBRYZYFXFNQJ-ZDUSSCGKSA-N 0 1 231.295 2.174 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCCC2(F)F)CN1C1CC1 ZINC000398082539 583119603 /nfs/dbraw/zinc/11/96/03/583119603.db2.gz HFRLNQXUDBUBLZ-CKYFFXLPSA-N 0 1 244.329 2.389 20 0 BEADMN CC(C)=CCNCc1cn(C)nc1Cl ZINC000856780992 588877625 /nfs/dbraw/zinc/87/76/25/588877625.db2.gz PQYJDIGDQZNLCE-UHFFFAOYSA-N 0 1 213.712 2.129 20 0 BEADMN CC/C=C/CNCc1cn(C)nc1Cl ZINC000856789771 588877744 /nfs/dbraw/zinc/87/77/44/588877744.db2.gz KTANVNQWUSGGAR-SNAWJCMRSA-N 0 1 213.712 2.129 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cn(C)nc2Cl)CS1 ZINC000856790580 588878172 /nfs/dbraw/zinc/87/81/72/588878172.db2.gz FRJAGYNGDWTKTN-VXNVDRBHSA-N 0 1 245.779 2.057 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nc2Cl)[C@@H]1C ZINC000857026615 588882266 /nfs/dbraw/zinc/88/22/66/588882266.db2.gz SVQNHSSQFDBLRI-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000223822916 583181841 /nfs/dbraw/zinc/18/18/41/583181841.db2.gz OWEIJYGOBPWXEV-AAEUAGOBSA-N 0 1 233.311 2.148 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000223822851 583182044 /nfs/dbraw/zinc/18/20/44/583182044.db2.gz OWEIJYGOBPWXEV-YPMHNXCESA-N 0 1 233.311 2.148 20 0 BEADMN Cn1cc(CN2CCC3(CCC3)C2)c(Cl)n1 ZINC000857020685 588882626 /nfs/dbraw/zinc/88/26/26/588882626.db2.gz IAXSDNKUNHVRAU-UHFFFAOYSA-N 0 1 239.750 2.450 20 0 BEADMN CCN(Cc1cn(C)nc1Cl)CC1CC1 ZINC000857021638 588882654 /nfs/dbraw/zinc/88/26/54/588882654.db2.gz QUPMQFKIENVZIP-UHFFFAOYSA-N 0 1 227.739 2.305 20 0 BEADMN CCCC[C@@H](C(=O)OCc1c[nH]nn1)C(C)C ZINC000857026505 588883011 /nfs/dbraw/zinc/88/30/11/588883011.db2.gz IBPVSDFVWSHOQH-LLVKDONJSA-N 0 1 239.319 2.310 20 0 BEADMN CSc1ccc(C[N@H+]2CCC[C@H](CO)C2)o1 ZINC000893863062 583233803 /nfs/dbraw/zinc/23/38/03/583233803.db2.gz BLXKIBRPMOERLN-JTQLQIEISA-N 0 1 241.356 2.206 20 0 BEADMN CSc1ccc(CN2CCC[C@H](CO)C2)o1 ZINC000893863062 583233805 /nfs/dbraw/zinc/23/38/05/583233805.db2.gz BLXKIBRPMOERLN-JTQLQIEISA-N 0 1 241.356 2.206 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC000893871032 583235507 /nfs/dbraw/zinc/23/55/07/583235507.db2.gz CJVNHGITCQJNTI-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893872746 583236679 /nfs/dbraw/zinc/23/66/79/583236679.db2.gz UREFCGHKKNYHEB-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@H]1CCN1CC ZINC000893872746 583236682 /nfs/dbraw/zinc/23/66/82/583236682.db2.gz UREFCGHKKNYHEB-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ncoc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000893994429 583267671 /nfs/dbraw/zinc/26/76/71/583267671.db2.gz LUFPAIXEOVZFAL-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN CCN(Cc1n[nH]c(C)c1C)Cc1ccccn1 ZINC000894022265 583274350 /nfs/dbraw/zinc/27/43/50/583274350.db2.gz XBDLDRVVLJCLFS-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN CCCCN(CCOC)Cc1ocnc1C ZINC000894021326 583274909 /nfs/dbraw/zinc/27/49/09/583274909.db2.gz MQBYAVMQSXHOII-UHFFFAOYSA-N 0 1 226.320 2.232 20 0 BEADMN CC(=O)Nc1cccc(CN2CC3(CC3)C2)c1 ZINC000877556941 583329982 /nfs/dbraw/zinc/32/99/82/583329982.db2.gz ZUCPWHYKZSWYII-UHFFFAOYSA-N 0 1 230.311 2.241 20 0 BEADMN CC[C@H]1CN(C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877958816 583354564 /nfs/dbraw/zinc/35/45/64/583354564.db2.gz XJHILWSZQKXSLO-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN Cc1nnc([C@@H](C)NCC2CC(C)C2)o1 ZINC000857246618 588901410 /nfs/dbraw/zinc/90/14/10/588901410.db2.gz DQUSPEWZQULQJK-CCNFQMFXSA-N 0 1 209.293 2.075 20 0 BEADMN Cc1ncoc1CNCCOCCC(C)C ZINC000894209807 583368080 /nfs/dbraw/zinc/36/80/80/583368080.db2.gz XXSMXGKFCYGWMU-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)CN1CCCC1 ZINC000726874637 583380366 /nfs/dbraw/zinc/38/03/66/583380366.db2.gz KMRRXLDBYTZTIX-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN COc1ccc(CN[C@H]2CSC2(C)C)nc1 ZINC000894280415 583408101 /nfs/dbraw/zinc/40/81/01/583408101.db2.gz LFGOMTWKESDYRN-NSHDSACASA-N 0 1 238.356 2.074 20 0 BEADMN Cc1cccc([C@@H]2CCCN2CN2CCC2=O)c1 ZINC000857231381 588897305 /nfs/dbraw/zinc/89/73/05/588897305.db2.gz HDQYZDZCJZLXKI-AWEZNQCLSA-N 0 1 244.338 2.322 20 0 BEADMN COC(=O)CC1(NCc2cc(C)co2)CCC1 ZINC000894375332 583441876 /nfs/dbraw/zinc/44/18/76/583441876.db2.gz QLTLFYOXHZYZPL-UHFFFAOYSA-N 0 1 237.299 2.163 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccnn2C2CCC2)C1 ZINC000894396564 583447882 /nfs/dbraw/zinc/44/78/82/583447882.db2.gz IBTHKLDJOHOKBS-OKILXGFUSA-N 0 1 249.358 2.217 20 0 BEADMN COCCCOCCN(C)Cc1cc(C)co1 ZINC000894425584 583455741 /nfs/dbraw/zinc/45/57/41/583455741.db2.gz YHGYXEOYWUPYLM-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN Cc1n[nH]c(CN(C)CCc2ccncc2)c1C ZINC000894450546 583463414 /nfs/dbraw/zinc/46/34/14/583463414.db2.gz KHEQQAGGDJDXBV-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN Cc1nonc1CNC[C@H]1CCc2ccccc21 ZINC000894463106 583465766 /nfs/dbraw/zinc/46/57/66/583465766.db2.gz DXINOABGNHCABF-GFCCVEGCSA-N 0 1 243.310 2.198 20 0 BEADMN Cc1[nH]nc(CN2CCC[C@H]2c2ncc[nH]2)c1C ZINC000894462590 583466611 /nfs/dbraw/zinc/46/66/11/583466611.db2.gz ZDRDEZGUNDGYHL-LBPRGKRZSA-N 0 1 245.330 2.087 20 0 BEADMN Cc1[nH]nc(CN2CCC[C@@H]2c2ncc[nH]2)c1C ZINC000894462588 583466896 /nfs/dbraw/zinc/46/68/96/583466896.db2.gz ZDRDEZGUNDGYHL-GFCCVEGCSA-N 0 1 245.330 2.087 20 0 BEADMN CC[C@@]1(O)CC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000894505215 583474950 /nfs/dbraw/zinc/47/49/50/583474950.db2.gz YQKQKAFHYVZNPY-GFCCVEGCSA-N 0 1 241.356 2.348 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(SC)o2)C1 ZINC000894505215 583474952 /nfs/dbraw/zinc/47/49/52/583474952.db2.gz YQKQKAFHYVZNPY-GFCCVEGCSA-N 0 1 241.356 2.348 20 0 BEADMN C[C@@H](CF)NCc1cc(O)cc(Cl)c1 ZINC000894600146 583490639 /nfs/dbraw/zinc/49/06/39/583490639.db2.gz AJYSOOAGODKNTL-ZETCQYMHSA-N 0 1 217.671 2.493 20 0 BEADMN COC(=O)c1ccc(CN[C@@H](C)CF)cc1C ZINC000894601527 583491316 /nfs/dbraw/zinc/49/13/16/583491316.db2.gz WAHZXRBOUOMJIK-JTQLQIEISA-N 0 1 239.290 2.229 20 0 BEADMN CC(C)C1CN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000894597389 583492857 /nfs/dbraw/zinc/49/28/57/583492857.db2.gz LTQMYKGWWBNETE-UHFFFAOYSA-N 0 1 247.294 2.474 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H](C)[C@@H]1C ZINC000894627760 583495200 /nfs/dbraw/zinc/49/52/00/583495200.db2.gz JXEMXPWDFJEIJA-ZJUUUORDSA-N 0 1 208.280 2.369 20 0 BEADMN CCn1cc(CN2C[C@H](C)[C@H]2C)c(C)n1 ZINC000894627812 583495401 /nfs/dbraw/zinc/49/54/01/583495401.db2.gz KVNWOLQLGNLZRB-GXSJLCMTSA-N 0 1 207.321 2.052 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)[C@H]1C ZINC000894629201 583497438 /nfs/dbraw/zinc/49/74/38/583497438.db2.gz VXOIBJBSRGVHMC-MNOVXSKESA-N 0 1 219.332 2.448 20 0 BEADMN c1cc2c(c(CN3CC4(CC4)C3)c1)OCC2 ZINC000894664692 583502620 /nfs/dbraw/zinc/50/26/20/583502620.db2.gz XYNAQPLSLKHOOQ-UHFFFAOYSA-N 0 1 215.296 2.217 20 0 BEADMN CCCSC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000894668610 583503442 /nfs/dbraw/zinc/50/34/42/583503442.db2.gz OHGYCOCFSMJKBS-MNOVXSKESA-N 0 1 239.388 2.449 20 0 BEADMN CCOc1ccc(CNCC2=CCOCC2)o1 ZINC000894678063 583505029 /nfs/dbraw/zinc/50/50/29/583505029.db2.gz AARRCKYUQZBZAF-UHFFFAOYSA-N 0 1 237.299 2.115 20 0 BEADMN CS[C@H]1CCN(Cc2cnc(F)c(C)c2)C1 ZINC000894692689 583507970 /nfs/dbraw/zinc/50/79/70/583507970.db2.gz YWCYIHWDOGTKJF-NSHDSACASA-N 0 1 240.347 2.466 20 0 BEADMN Cc1ccoc1CNCCO[C@H]1CCCCO1 ZINC000894800623 583522326 /nfs/dbraw/zinc/52/23/26/583522326.db2.gz UPICMYKJFUPCMZ-ZDUSSCGKSA-N 0 1 239.315 2.221 20 0 BEADMN CCOC1(C)CCN(Cc2ocnc2C)CC1 ZINC000894831817 583528277 /nfs/dbraw/zinc/52/82/77/583528277.db2.gz QQUTUQINFUHJDU-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc(C)c(C)s2)C1 ZINC000894846617 583531338 /nfs/dbraw/zinc/53/13/38/583531338.db2.gz SGMVHHHWMBIHHU-PHIMTYICSA-N 0 1 240.372 2.417 20 0 BEADMN Cc1c(CN2C[C@H](C)[C@@H]2C)ccnc1F ZINC000894862217 583535309 /nfs/dbraw/zinc/53/53/09/583535309.db2.gz UJAANQFLNJDYIA-WPRPVWTQSA-N 0 1 208.280 2.369 20 0 BEADMN C[C@@H]1CN(Cc2cnc(C3CC3)nc2)[C@@H]1C ZINC000894861316 583536160 /nfs/dbraw/zinc/53/61/60/583536160.db2.gz DUPVJLOYYUPLII-NXEZZACHSA-N 0 1 217.316 2.194 20 0 BEADMN Cc1noc2ncc(CN3C[C@H](C)[C@@H]3C)cc12 ZINC000894862417 583536796 /nfs/dbraw/zinc/53/67/96/583536796.db2.gz XUSLZUHUSACUQA-WPRPVWTQSA-N 0 1 231.299 2.371 20 0 BEADMN Cc1noc2ncc(CN3C[C@@H](C)[C@H]3C)cc12 ZINC000894862414 583537276 /nfs/dbraw/zinc/53/72/76/583537276.db2.gz XUSLZUHUSACUQA-PSASIEDQSA-N 0 1 231.299 2.371 20 0 BEADMN COc1cncc(CN2C[C@H](C)[C@@H]2C)c1C ZINC000894862409 583537284 /nfs/dbraw/zinc/53/72/84/583537284.db2.gz XSLMCPLAONGREX-ONGXEEELSA-N 0 1 220.316 2.239 20 0 BEADMN Cc1ncoc1CNc1cc2c(cn1)CCC2 ZINC000894864830 583537936 /nfs/dbraw/zinc/53/79/36/583537936.db2.gz HDHFCKYWQCTANP-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN CCOc1ccc(CN2C[C@@H](O)CC[C@@H]2C)o1 ZINC000894979239 583563365 /nfs/dbraw/zinc/56/33/65/583563365.db2.gz TVNNKFMRENNMQR-QWRGUYRKSA-N 0 1 239.315 2.024 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000857851937 588912845 /nfs/dbraw/zinc/91/28/45/588912845.db2.gz SRFFSSFEXGBSHT-CMPLNLGQSA-N 0 1 249.358 2.333 20 0 BEADMN CCc1cc(CN[C@@H]2CCCc3cn[nH]c32)on1 ZINC000857855653 588912971 /nfs/dbraw/zinc/91/29/71/588912971.db2.gz VPWBPEZQWHGBLE-GFCCVEGCSA-N 0 1 246.314 2.127 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC[C@@]1(C)CC1(C)C ZINC000881541972 583576255 /nfs/dbraw/zinc/57/62/55/583576255.db2.gz JIOVUAMRIDLNTJ-SMDDNHRTSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)[C@H](C)C2)c(F)c1 ZINC000639075149 583580114 /nfs/dbraw/zinc/58/01/14/583580114.db2.gz XYPPAWJCVVBZLJ-RISCZKNCSA-N 0 1 237.318 2.337 20 0 BEADMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc[nH]1 ZINC000857861907 588915165 /nfs/dbraw/zinc/91/51/65/588915165.db2.gz VYTMLSGWLXUQQC-SKDRFNHKSA-N 0 1 230.315 2.466 20 0 BEADMN CCN(Cc1[nH]nc(C)c1C)[C@H]1CCCOC1 ZINC000895137228 583602281 /nfs/dbraw/zinc/60/22/81/583602281.db2.gz KWMDMVJEQBMWAC-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN CCCNC(=S)Nc1cnccc1SC ZINC000749895998 583617902 /nfs/dbraw/zinc/61/79/02/583617902.db2.gz FIAVZZCYVDTUBN-UHFFFAOYSA-N 0 1 241.385 2.500 20 0 BEADMN CCC=CCN[C@@H]1CCCc2c[nH]nc21 ZINC000857868516 588916989 /nfs/dbraw/zinc/91/69/89/588916989.db2.gz XLFZBSNUVCPQLY-DLRQAJBASA-N 0 1 205.305 2.343 20 0 BEADMN COCCOc1ccc(CN[C@@H]2C=CCC2)o1 ZINC000895338951 583653582 /nfs/dbraw/zinc/65/35/82/583653582.db2.gz WIIXLNRNNVZNSL-LLVKDONJSA-N 0 1 237.299 2.113 20 0 BEADMN NC(=O)Nc1ccc(CNCc2ccoc2)cc1 ZINC000727466418 583655758 /nfs/dbraw/zinc/65/57/58/583655758.db2.gz QCTRRTACPVTILX-UHFFFAOYSA-N 0 1 245.282 2.060 20 0 BEADMN C[C@H]1C[C@H](CN2Cc3ccncc3C2)CCO1 ZINC000857879974 588920084 /nfs/dbraw/zinc/92/00/84/588920084.db2.gz YBPFVCPOBIEJJT-NWDGAFQWSA-N 0 1 232.327 2.212 20 0 BEADMN COc1nccc(CNCC2=CCCC2)c1F ZINC000895435939 583674592 /nfs/dbraw/zinc/67/45/92/583674592.db2.gz LWWGLGYBWXAWNX-UHFFFAOYSA-N 0 1 236.290 2.429 20 0 BEADMN CC[C@@](C)(CN(C)Cc1ccns1)OC ZINC000895451967 583676310 /nfs/dbraw/zinc/67/63/10/583676310.db2.gz HMNULJDNRNVOFO-NSHDSACASA-N 0 1 228.361 2.390 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(O)cc(Cl)c1 ZINC000895459183 583677700 /nfs/dbraw/zinc/67/77/00/583677700.db2.gz MWCHDGWSOULSJN-NEPJUHHUSA-N 0 1 241.718 2.313 20 0 BEADMN Cc1[nH]nc(CN2CC(OC(C)(C)C)C2)c1C ZINC000895466926 583678554 /nfs/dbraw/zinc/67/85/54/583678554.db2.gz IWLBJQMIJJUZEZ-UHFFFAOYSA-N 0 1 237.347 2.026 20 0 BEADMN CCONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000895526209 583684289 /nfs/dbraw/zinc/68/42/89/583684289.db2.gz IDNWXVPYNFOZSJ-ZDUSSCGKSA-N 0 1 248.326 2.423 20 0 BEADMN c1cc(CCNCc2cc(C3CC3)no2)sn1 ZINC000895527712 583685007 /nfs/dbraw/zinc/68/50/07/583685007.db2.gz OZJBAGMWZSOGNQ-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN FC1(F)CCC[C@H]1CCNCc1csnn1 ZINC000895545188 583689376 /nfs/dbraw/zinc/68/93/76/583689376.db2.gz PSMGAJIHHNEORW-QMMMGPOBSA-N 0 1 247.314 2.453 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](CF)C2)o1 ZINC000895545000 583689609 /nfs/dbraw/zinc/68/96/09/583689609.db2.gz QVOUEWQRBQXBNA-JTQLQIEISA-N 0 1 212.268 2.165 20 0 BEADMN FC1CCN(Cc2cnn3ccccc23)CC1 ZINC000895549956 583689973 /nfs/dbraw/zinc/68/99/73/583689973.db2.gz OKFUZZCYZFEXEB-UHFFFAOYSA-N 0 1 233.290 2.268 20 0 BEADMN Cc1n[nH]c(CN2CCC[C@@H](CF)C2)c1C ZINC000895545665 583690247 /nfs/dbraw/zinc/69/02/47/583690247.db2.gz UYFHAGRTKBENKU-NSHDSACASA-N 0 1 225.311 2.208 20 0 BEADMN CN1CCN(Cc2cnc(C3CC3)o2)CC1(C)C ZINC000895564723 583690670 /nfs/dbraw/zinc/69/06/70/583690670.db2.gz KPCZQVPYMBHRPA-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@@]1(C(F)(F)F)CC[N@@H+](CC2(C)CC2)C1 ZINC000895577585 583694051 /nfs/dbraw/zinc/69/40/51/583694051.db2.gz NZYYLNWXZLPRNC-JTQLQIEISA-N 0 1 237.265 2.440 20 0 BEADMN CCn1nc(C)c(C[N@H+]2CC[C@H](CF)C2)c1C ZINC000895576529 583694056 /nfs/dbraw/zinc/69/40/56/583694056.db2.gz ZYCMRMZKMPNISY-GFCCVEGCSA-N 0 1 239.338 2.311 20 0 BEADMN c1cnc(C2(NCCC[C@H]3CCO3)CCC2)nc1 ZINC000895623123 583697475 /nfs/dbraw/zinc/69/74/75/583697475.db2.gz NKPQHOREVDBWHW-LBPRGKRZSA-N 0 1 247.342 2.015 20 0 BEADMN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651861 583703142 /nfs/dbraw/zinc/70/31/42/583703142.db2.gz CVQGNKHJAKFPGE-AAEUAGOBSA-N 0 1 237.730 2.215 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1CCCC1 ZINC000895678894 583704795 /nfs/dbraw/zinc/70/47/95/583704795.db2.gz XYAMOXBOAJCWTL-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CCn1cc(CNCC(C)(C)F)c(C)n1 ZINC000895690547 583707651 /nfs/dbraw/zinc/70/76/51/583707651.db2.gz FLPWZAJAKLOEJF-UHFFFAOYSA-N 0 1 213.300 2.049 20 0 BEADMN C[C@@H]1[C@H](Nc2nc3c(cccc3F)o2)CC[N@H+]1C ZINC000895737115 583718593 /nfs/dbraw/zinc/71/85/93/583718593.db2.gz RDLIPJXVWZUWFB-PSASIEDQSA-N 0 1 249.289 2.471 20 0 BEADMN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ncco1 ZINC000895766760 583718826 /nfs/dbraw/zinc/71/88/26/583718826.db2.gz UVDSVXVJGBNYIE-NNYUYHANSA-N 0 1 248.326 2.283 20 0 BEADMN CN1CC[C@H]1CNc1nc2cccc(F)c2o1 ZINC000895766068 583718944 /nfs/dbraw/zinc/71/89/44/583718944.db2.gz ABFDWVBPOZSMMN-QMMMGPOBSA-N 0 1 235.262 2.083 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)N[C@@H](C)c1ncco1 ZINC000895764508 583722384 /nfs/dbraw/zinc/72/23/84/583722384.db2.gz IFIXEXFKEWMADV-VWYCJHECSA-N 0 1 224.304 2.140 20 0 BEADMN CN1CC[C@H]1CNc1ccc(C(F)(F)F)nc1 ZINC000895768082 583722981 /nfs/dbraw/zinc/72/29/81/583722981.db2.gz VWHKWJAGSQFCAW-VIFPVBQESA-N 0 1 245.248 2.216 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ncco1 ZINC000895764884 583722986 /nfs/dbraw/zinc/72/29/86/583722986.db2.gz KHLILRVMUGCZMK-GARJFASQSA-N 0 1 224.304 2.140 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ncco2)C1(C)C ZINC000895767155 583723480 /nfs/dbraw/zinc/72/34/80/583723480.db2.gz WJGRDTUWIAYXDC-VPOLOUISSA-N 0 1 238.331 2.385 20 0 BEADMN Cc1ccc2ncnc(NC[C@H]3CC[N@@H+]3C)c2c1 ZINC000895772215 583725100 /nfs/dbraw/zinc/72/51/00/583725100.db2.gz YCROAXYHNCQZBV-LLVKDONJSA-N 0 1 242.326 2.054 20 0 BEADMN Cc1ccc2ncnc(NC[C@@H]3CC[N@@H+]3C)c2c1 ZINC000895772216 583725143 /nfs/dbraw/zinc/72/51/43/583725143.db2.gz YCROAXYHNCQZBV-NSHDSACASA-N 0 1 242.326 2.054 20 0 BEADMN c1cn(C2CC2)c(CN[C@]23CCC[C@H]2OCC3)n1 ZINC000895868991 583738230 /nfs/dbraw/zinc/73/82/30/583738230.db2.gz LTKOEIZEGCQSNP-OCCSQVGLSA-N 0 1 247.342 2.019 20 0 BEADMN CCOc1cncc(CN(C)CCCF)c1 ZINC000895895842 583743913 /nfs/dbraw/zinc/74/39/13/583743913.db2.gz FQTRKQQFCGNGHN-UHFFFAOYSA-N 0 1 226.295 2.272 20 0 BEADMN CCc1ncc(CN2C[C@@H](OC)CC[C@H]2C)cn1 ZINC000895926032 583748006 /nfs/dbraw/zinc/74/80/06/583748006.db2.gz AZXRVSFPURPGDP-YPMHNXCESA-N 0 1 249.358 2.038 20 0 BEADMN CC[C@H](C)[C@H](CN1CC(OC(C)C)C1)OC ZINC000895954834 583751885 /nfs/dbraw/zinc/75/18/85/583751885.db2.gz IVDAYVULTUKDDA-AAEUAGOBSA-N 0 1 229.364 2.157 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1cncc2nc[nH]c21 ZINC000895958995 583753017 /nfs/dbraw/zinc/75/30/17/583753017.db2.gz UVMLBNGPJKLCLV-SECBINFHSA-N 0 1 246.314 2.266 20 0 BEADMN CO[C@@H]1CN(C[C@H](C)Cc2ccccc2)CCO1 ZINC000895968222 583754514 /nfs/dbraw/zinc/75/45/14/583754514.db2.gz KDIADIOPEWHEJH-HIFRSBDPSA-N 0 1 249.354 2.170 20 0 BEADMN COCC1CN(Cc2ccccc2Cl)C1 ZINC000895971302 583756355 /nfs/dbraw/zinc/75/63/55/583756355.db2.gz LPZMXYHDGYQBHX-UHFFFAOYSA-N 0 1 225.719 2.418 20 0 BEADMN COc1ccc(CN2CCC[C@H](CF)C2)o1 ZINC000896000317 583760117 /nfs/dbraw/zinc/76/01/17/583760117.db2.gz RLSKOEGGMPJDLX-SNVBAGLBSA-N 0 1 227.279 2.470 20 0 BEADMN C[C@@H](NC1CC2(C1)CO[C@@H](C)C2)c1ncco1 ZINC000896046891 583765619 /nfs/dbraw/zinc/76/56/19/583765619.db2.gz YXOPSHKICGPNRC-KIENENRBSA-N 0 1 236.315 2.283 20 0 BEADMN CN(CCCF)Cc1cnn(C2CCC2)c1 ZINC000896069884 583768025 /nfs/dbraw/zinc/76/80/25/583768025.db2.gz KZXHGTJSHQVIBG-UHFFFAOYSA-N 0 1 225.311 2.400 20 0 BEADMN Cc1ccnc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000896077508 583768975 /nfs/dbraw/zinc/76/89/75/583768975.db2.gz KWQPDVLUBDMMOB-XQQFMLRXSA-N 0 1 230.311 2.393 20 0 BEADMN C[C@H](N[C@H]1CCC12CCOCC2)C(F)F ZINC000883400840 583794551 /nfs/dbraw/zinc/79/45/51/583794551.db2.gz WNJWXJIEOWBQDU-IUCAKERBSA-N 0 1 219.275 2.189 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000896456774 583802976 /nfs/dbraw/zinc/80/29/76/583802976.db2.gz ACLZHGBHHZWFFZ-NEPJUHHUSA-N 0 1 236.359 2.084 20 0 BEADMN C[C@H]1CCN(Cc2cnn(C3CCC3)c2)CCO1 ZINC000896580483 583814660 /nfs/dbraw/zinc/81/46/60/583814660.db2.gz VHEXYFUPVBKEEE-LBPRGKRZSA-N 0 1 249.358 2.219 20 0 BEADMN Cc1coc(CN2CCO[C@@H](C)CC2)c1 ZINC000896579725 583814673 /nfs/dbraw/zinc/81/46/73/583814673.db2.gz QMLIACKUMXFZPM-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN CCC[C@H](CN[C@H](c1ncccn1)C1CC1)OC ZINC000896598264 583816666 /nfs/dbraw/zinc/81/66/66/583816666.db2.gz GNQVXHFUBVSGIV-OLZOCXBDSA-N 0 1 249.358 2.332 20 0 BEADMN CS[C@@H]1CC[C@H]1N[C@H](c1ncccn1)C1CC1 ZINC000896598194 583817030 /nfs/dbraw/zinc/81/70/30/583817030.db2.gz FFWSATXSHAEHSE-UTUOFQBUSA-N 0 1 249.383 2.411 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H](c2ncccn2)C2CC2)CS1 ZINC000896599887 583817481 /nfs/dbraw/zinc/81/74/81/583817481.db2.gz UFJZYUUOAAGXKX-YUSALJHKSA-N 0 1 249.383 2.411 20 0 BEADMN c1ccc([C@H](NC2CSC2)C2CC2)nc1 ZINC000896612953 583817526 /nfs/dbraw/zinc/81/75/26/583817526.db2.gz QKDZNCIHWHXGSV-GFCCVEGCSA-N 0 1 220.341 2.238 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)NCCC3CC3)c2C1 ZINC000896700427 583823093 /nfs/dbraw/zinc/82/30/93/583823093.db2.gz VZVRYTAHKCKUJU-SECBINFHSA-N 0 1 247.342 2.064 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC(C)(C)C1 ZINC000896738383 583829289 /nfs/dbraw/zinc/82/92/89/583829289.db2.gz NCRWKLPUGHXIQZ-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN FC1(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000896793497 583834623 /nfs/dbraw/zinc/83/46/23/583834623.db2.gz AEALEZCHHGSMPP-KBPBESRZSA-N 0 1 246.329 2.452 20 0 BEADMN C[C@]1(CNCc2nccn2C2CC2)CCCCO1 ZINC000896924714 583857514 /nfs/dbraw/zinc/85/75/14/583857514.db2.gz SUBHFEOFGLWXJL-CQSZACIVSA-N 0 1 249.358 2.267 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000896944970 583862813 /nfs/dbraw/zinc/86/28/13/583862813.db2.gz TXAGXURZVDTKRN-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCCC1CCC1 ZINC000896944631 583863182 /nfs/dbraw/zinc/86/31/82/583863182.db2.gz JQLQJDJVCVGFTH-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CN(CCC1CCCCC1)[C@@H]1CCOC1=O ZINC000101565843 583863981 /nfs/dbraw/zinc/86/39/81/583863981.db2.gz OIOKOBMPPKFALV-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC23CCCCC3)n1 ZINC000858191601 588938333 /nfs/dbraw/zinc/93/83/33/588938333.db2.gz XQQBSFQWXFKWPR-CYBMUJFWSA-N 0 1 248.374 2.419 20 0 BEADMN CCO[C@H]1CCN(Cc2ccnc(F)c2C)C1 ZINC000897066930 583876397 /nfs/dbraw/zinc/87/63/97/583876397.db2.gz CJJSRYBMEKSQTK-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CC(=O)OC[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000897072335 583878145 /nfs/dbraw/zinc/87/81/45/583878145.db2.gz XYFXKQNDKUIQAU-GWCFXTLKSA-N 0 1 248.326 2.000 20 0 BEADMN Cc1cc(N)nc(N(Cc2ccoc2)C2CC2)n1 ZINC000897110637 583881561 /nfs/dbraw/zinc/88/15/61/583881561.db2.gz WTWZQAGUIBWORQ-UHFFFAOYSA-N 0 1 244.298 2.129 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897165179 583886759 /nfs/dbraw/zinc/88/67/59/583886759.db2.gz NSAXNBSOCWGQGD-VXGBXAGGSA-N 0 1 240.391 2.410 20 0 BEADMN Cc1csc(CN[C@H](CO)CCC(C)C)n1 ZINC000858241447 588940468 /nfs/dbraw/zinc/94/04/68/588940468.db2.gz TWXIRIUPCDQKOD-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc[nH]1 ZINC000897246394 583902254 /nfs/dbraw/zinc/90/22/54/583902254.db2.gz HPAVBGKXXIROBQ-JQWIXIFHSA-N 0 1 249.358 2.065 20 0 BEADMN C/C=C\CNCc1c(Cl)n(C)nc1CC ZINC000858291098 588942280 /nfs/dbraw/zinc/94/22/80/588942280.db2.gz NKYHTIZGZYGUBX-XQRVVYSFSA-N 0 1 227.739 2.302 20 0 BEADMN CC=CCNCc1cc(C(F)(F)F)n[nH]1 ZINC000858289776 588942334 /nfs/dbraw/zinc/94/23/34/588942334.db2.gz AOHKNVCARHJSEW-NSCUHMNNSA-N 0 1 219.210 2.094 20 0 BEADMN C(N[C@@H]1CC[C@@H]1C1CC1)c1noc2c1COCC2 ZINC000897365235 583942700 /nfs/dbraw/zinc/94/27/00/583942700.db2.gz CHLDPMQKDRAKMV-ZYHUDNBSSA-N 0 1 248.326 2.026 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2(C3CC3)CC2)c1 ZINC000897367918 583942887 /nfs/dbraw/zinc/94/28/87/583942887.db2.gz HLSMIPGVVZLTOM-UHFFFAOYSA-N 0 1 245.326 2.276 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729091361 583955805 /nfs/dbraw/zinc/95/58/05/583955805.db2.gz FAYKGIXHGWTKMU-RKDXNWHRSA-N 0 1 246.266 2.483 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211324803 583984999 /nfs/dbraw/zinc/98/49/99/583984999.db2.gz ZMUFSBJVUVOUFM-ILFKPUCNSA-N 0 1 238.114 2.102 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCCC[C@@H]2O)no1 ZINC000897537083 584010245 /nfs/dbraw/zinc/01/02/45/584010245.db2.gz KUHYREHTHUXSDF-AAEUAGOBSA-N 0 1 238.331 2.014 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897564877 584019166 /nfs/dbraw/zinc/01/91/66/584019166.db2.gz CPEZUUGEHZIHKS-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000897639442 584034531 /nfs/dbraw/zinc/03/45/31/584034531.db2.gz DSMVYCFUUCYNJF-KBVBSXBZSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@@H]1CN(Cc2cscc2Cl)C[C@H]1O ZINC000897681131 584039064 /nfs/dbraw/zinc/03/90/64/584039064.db2.gz PJTGSYBTVJDOEB-GMSGAONNSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@@H]1O ZINC000897683213 584039945 /nfs/dbraw/zinc/03/99/45/584039945.db2.gz AXSJMQMNAGQOBY-ABAIWWIYSA-N 0 1 242.322 2.047 20 0 BEADMN COc1ccccc1/C=C\C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684146 584040412 /nfs/dbraw/zinc/04/04/12/584040412.db2.gz KAFQEAIBALINKE-MHQJXXKBSA-N 0 1 247.338 2.021 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CCC1(C)C ZINC000897759296 584044606 /nfs/dbraw/zinc/04/46/06/584044606.db2.gz XROLFKSFTBORBR-MNOVXSKESA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897908046 584059718 /nfs/dbraw/zinc/05/97/18/584059718.db2.gz FMWZQLAWTKMROZ-RYUDHWBXSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000897908047 584060187 /nfs/dbraw/zinc/06/01/87/584060187.db2.gz FMWZQLAWTKMROZ-VXGBXAGGSA-N 0 1 238.375 2.116 20 0 BEADMN Cn1ccc(CN2CC(Cc3ccoc3)C2)c1 ZINC000898160509 584087922 /nfs/dbraw/zinc/08/79/22/584087922.db2.gz HZAIUNJNYXIWGT-UHFFFAOYSA-N 0 1 230.311 2.293 20 0 BEADMN O[C@@H](CCNCc1c(F)cccc1F)C1CC1 ZINC000898208767 584092391 /nfs/dbraw/zinc/09/23/91/584092391.db2.gz LAFDLDNRJBMZMC-ZDUSSCGKSA-N 0 1 241.281 2.215 20 0 BEADMN O[C@@H]1CCN(Cc2cccc3[nH]ccc32)C[C@H]1F ZINC000898192434 584095575 /nfs/dbraw/zinc/09/55/75/584095575.db2.gz IUUZIFHJGPDZHN-TZMCWYRMSA-N 0 1 248.301 2.073 20 0 BEADMN Cc1nc(CNCCc2cccnc2C)cs1 ZINC000898257527 584102882 /nfs/dbraw/zinc/10/28/82/584102882.db2.gz XLXQEHMIPJSXJY-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN CC(C)C(C)(C)NC(=O)c1cncc2nc[nH]c21 ZINC000898272976 584104485 /nfs/dbraw/zinc/10/44/85/584104485.db2.gz NLKVDMZEZVPMMN-UHFFFAOYSA-N 0 1 246.314 2.122 20 0 BEADMN COCc1cc(CNC(C)(C)CSC)no1 ZINC000898305861 584109294 /nfs/dbraw/zinc/10/92/94/584109294.db2.gz VRZAOHLPDGUNLS-UHFFFAOYSA-N 0 1 244.360 2.052 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1COC[C@@H]1C1CC1 ZINC000898375689 584113301 /nfs/dbraw/zinc/11/33/01/584113301.db2.gz GPLGXOWBIKXJAP-CHWSQXEVSA-N 0 1 248.326 2.067 20 0 BEADMN c1c(CN[C@H]2COC[C@H]2C2CC2)onc1C1CC1 ZINC000898375670 584113353 /nfs/dbraw/zinc/11/33/53/584113353.db2.gz GKSACFNXYOJCMN-JSGCOSHPSA-N 0 1 248.326 2.067 20 0 BEADMN COC(=O)C1=CC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000858474570 588958299 /nfs/dbraw/zinc/95/82/99/588958299.db2.gz BNTZZDYTLVJBCG-ONGXEEELSA-N 0 1 235.283 2.192 20 0 BEADMN Cn1ccnc1CNC1(C)C(C)(C)C1(C)C ZINC000898414335 584131413 /nfs/dbraw/zinc/13/14/13/584131413.db2.gz NBDUUMQPXIMGTG-UHFFFAOYSA-N 0 1 221.348 2.334 20 0 BEADMN Cn1ccc(CNC2(C)C(C)(C)C2(C)C)n1 ZINC000898413872 584131467 /nfs/dbraw/zinc/13/14/67/584131467.db2.gz CRHHJTKUFDLBPE-UHFFFAOYSA-N 0 1 221.348 2.334 20 0 BEADMN Cc1cc(CNC/C=C/Cl)cnc1F ZINC000898424295 584131965 /nfs/dbraw/zinc/13/19/65/584131965.db2.gz DPDHMUCCACPBJW-NSCUHMNNSA-N 0 1 214.671 2.371 20 0 BEADMN CC(C)n1cncc1CNC/C=C\Cl ZINC000898426832 584132569 /nfs/dbraw/zinc/13/25/69/584132569.db2.gz AKIFOSXTZHAEGX-ARJAWSKDSA-N 0 1 213.712 2.306 20 0 BEADMN COC(=O)c1cc(CNC/C=C/Cl)c(C)o1 ZINC000898428070 584133251 /nfs/dbraw/zinc/13/32/51/584133251.db2.gz GTNXTBOTWSDLPZ-ONEGZZNKSA-N 0 1 243.690 2.217 20 0 BEADMN CCCn1nccc1CNC/C=C/Cl ZINC000898430187 584134351 /nfs/dbraw/zinc/13/43/51/584134351.db2.gz WJSCYCPQPICIIY-HWKANZROSA-N 0 1 213.712 2.135 20 0 BEADMN Cl/C=C/CNCc1ccc2c(c1)OCCO2 ZINC000898435330 584135720 /nfs/dbraw/zinc/13/57/20/584135720.db2.gz HHCYUKWRKRLNKL-DAFODLJHSA-N 0 1 239.702 2.300 20 0 BEADMN CC(C)(C)n1cc(CNC/C=C/Cl)cn1 ZINC000898434887 584135724 /nfs/dbraw/zinc/13/57/24/584135724.db2.gz CLWOHURKHYFWMM-SNAWJCMRSA-N 0 1 227.739 2.480 20 0 BEADMN Cl/C=C/CNCc1cccc2c1OCCO2 ZINC000898435365 584136017 /nfs/dbraw/zinc/13/60/17/584136017.db2.gz IKFOMKSMTZZFDH-GORDUTHDSA-N 0 1 239.702 2.300 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@H]1CC12CC2 ZINC000898576715 584143306 /nfs/dbraw/zinc/14/33/06/584143306.db2.gz RTKRHVJZQNKCIA-SNVBAGLBSA-N 0 1 221.231 2.036 20 0 BEADMN CC1(C)C[C@]1(C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899203229 584181365 /nfs/dbraw/zinc/18/13/65/584181365.db2.gz KRURYPVDLYXLOF-GPCCPHFNSA-N 0 1 247.342 2.066 20 0 BEADMN CSc1cc(C)c(-c2cnc(CN)nc2)cn1 ZINC000899325398 584197666 /nfs/dbraw/zinc/19/76/66/584197666.db2.gz WTNFLDRZQJNNMB-UHFFFAOYSA-N 0 1 246.339 2.028 20 0 BEADMN CCC1=NN(C2C[C@H](C)O[C@@H](C)C2)C(=O)[C@@H]1C ZINC000899360004 584207165 /nfs/dbraw/zinc/20/71/65/584207165.db2.gz IITPFODNPFWPMO-LPEHRKFASA-N 0 1 238.331 2.187 20 0 BEADMN CCc1[nH]n(C2C[C@H](C)O[C@@H](C)C2)c(=O)c1C ZINC000899360004 584207167 /nfs/dbraw/zinc/20/71/67/584207167.db2.gz IITPFODNPFWPMO-LPEHRKFASA-N 0 1 238.331 2.187 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(CC(C)C)co1 ZINC000899448276 584216304 /nfs/dbraw/zinc/21/63/04/584216304.db2.gz KCGKKMFBPOVGEV-UHFFFAOYSA-N 0 1 248.286 2.157 20 0 BEADMN c1c([C@@H]2CCCCN2)nnn1-c1ccccc1 ZINC000899681628 584224561 /nfs/dbraw/zinc/22/45/61/584224561.db2.gz BXLGUGKCHPJWTL-LBPRGKRZSA-N 0 1 228.299 2.082 20 0 BEADMN Cc1cccc(-n2cc([C@H]3CCCCN3)nn2)c1 ZINC000899687517 584224806 /nfs/dbraw/zinc/22/48/06/584224806.db2.gz WMLSAVYWBBCPOF-CYBMUJFWSA-N 0 1 242.326 2.390 20 0 BEADMN CNC(C)(C)c1cn(-c2ccc(C)c(F)c2)nn1 ZINC000899747672 584236294 /nfs/dbraw/zinc/23/62/94/584236294.db2.gz KEOQNEGAYVTZLA-UHFFFAOYSA-N 0 1 248.305 2.169 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CCC=CCC1 ZINC000899804822 584240098 /nfs/dbraw/zinc/24/00/98/584240098.db2.gz DFOJECIGJDTOAJ-NSHDSACASA-N 0 1 247.342 2.203 20 0 BEADMN O=C(NC1CCC=CCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899804853 584240248 /nfs/dbraw/zinc/24/02/48/584240248.db2.gz FPJHJANXWKFUCS-VXGBXAGGSA-N 0 1 245.326 2.128 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C3CC3)CCC2)c1C ZINC000899823988 584240516 /nfs/dbraw/zinc/24/05/16/584240516.db2.gz OJYDGNVQZYQZLE-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CC1(c2nc(C3(N)CCCC3)no2)CC=CC1 ZINC000900005248 584264476 /nfs/dbraw/zinc/26/44/76/584264476.db2.gz CSARJWPFYQCOCE-UHFFFAOYSA-N 0 1 233.315 2.405 20 0 BEADMN C1=CC[C@H](Cc2nc([C@@H]3CCCN3)no2)CC1 ZINC000900009725 584264665 /nfs/dbraw/zinc/26/46/65/584264665.db2.gz JHIHNANGQANRCY-QWRGUYRKSA-N 0 1 233.315 2.393 20 0 BEADMN C[C@]1(c2nc([C@@H]3CCCN3)no2)C=CCC1 ZINC000900010857 584265455 /nfs/dbraw/zinc/26/54/55/584265455.db2.gz XWRFWVBGOIWELC-CABZTGNLSA-N 0 1 219.288 2.102 20 0 BEADMN O=C(Cc1cnc[nH]1)NCC1CCCCCCC1 ZINC000900293602 584292213 /nfs/dbraw/zinc/29/22/13/584292213.db2.gz MVYHLYDNEYKLEX-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CC[C@@H](NC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000900491443 584316942 /nfs/dbraw/zinc/31/69/42/584316942.db2.gz UDYJRAUIZZBVER-CYBMUJFWSA-N 0 1 249.358 2.427 20 0 BEADMN CCN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@@H]1C ZINC000900531011 584322741 /nfs/dbraw/zinc/32/27/41/584322741.db2.gz VFYCQCDTNMBACC-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CCN(C(=O)Cc1c[nH]cn1)[C@H]1CCCC[C@H]1C ZINC000900531012 584323070 /nfs/dbraw/zinc/32/30/70/584323070.db2.gz VFYCQCDTNMBACC-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900572875 584326994 /nfs/dbraw/zinc/32/69/94/584326994.db2.gz JGQSWGVWPGEUQU-VXGBXAGGSA-N 0 1 249.358 2.283 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000900851142 584357443 /nfs/dbraw/zinc/35/74/43/584357443.db2.gz AGLSPGWPQQUHEP-GRYCIOLGSA-N 0 1 247.342 2.037 20 0 BEADMN Cc1cccc(N[C@@H]2CCC[C@@H]2C(=O)[O-])[nH+]1 ZINC000900978201 584371085 /nfs/dbraw/zinc/37/10/85/584371085.db2.gz BPXDEHBCONBAEF-VHSXEESVSA-N 0 1 220.272 2.055 20 0 BEADMN O=C(N[C@@H]1CC12CCCCC2)c1[nH]ncc1F ZINC000901302940 584419551 /nfs/dbraw/zinc/41/95/51/584419551.db2.gz KJULZCNOEVZGLL-SECBINFHSA-N 0 1 237.278 2.001 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C(C)C)CC1 ZINC000858893899 588982699 /nfs/dbraw/zinc/98/26/99/588982699.db2.gz XOSDWOROSQOTHM-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CCC[C@H](N)c1cc(-c2cnc(N)s2)no1 ZINC000901390232 584437531 /nfs/dbraw/zinc/43/75/31/584437531.db2.gz JOIJUYWXMZGVJQ-LURJTMIESA-N 0 1 238.316 2.180 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CCC(C(F)F)CC1 ZINC000901454982 584449700 /nfs/dbraw/zinc/44/97/00/584449700.db2.gz XNSNVCYTJCMSOZ-UDNWOFFPSA-N 0 1 247.285 2.359 20 0 BEADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000901522200 584458361 /nfs/dbraw/zinc/45/83/61/584458361.db2.gz MVXRKGFTCUAVFU-SNVBAGLBSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1ccsc1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000901512819 584460973 /nfs/dbraw/zinc/46/09/73/584460973.db2.gz BKPQLTAYEKAKJF-LLVKDONJSA-N 0 1 243.303 2.055 20 0 BEADMN Cc1ccsc1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000901512820 584461168 /nfs/dbraw/zinc/46/11/68/584461168.db2.gz BKPQLTAYEKAKJF-NSHDSACASA-N 0 1 243.303 2.055 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc2cccnc2o1 ZINC000901601445 584468428 /nfs/dbraw/zinc/46/84/28/584468428.db2.gz FSWZTCYIXMIKTL-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000901605068 584468948 /nfs/dbraw/zinc/46/89/48/584468948.db2.gz MGBWWLKXXISGLU-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1Cc2ccccc2C1 ZINC000901605161 584469039 /nfs/dbraw/zinc/46/90/39/584469039.db2.gz MKMZSNDUYMDRPX-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN Cc1cc(CS[C@@H](C)c2n[nH]c(C)n2)no1 ZINC000901712311 584487114 /nfs/dbraw/zinc/48/71/14/584487114.db2.gz QBSTXBMBTNVGJY-ZETCQYMHSA-N 0 1 238.316 2.404 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@@H+](CC1(F)CC1)CC2 ZINC000901745256 584489866 /nfs/dbraw/zinc/48/98/66/584489866.db2.gz UIPLWBZDAIQKPW-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1(F)CC1)CC2 ZINC000901745256 584489868 /nfs/dbraw/zinc/48/98/68/584489868.db2.gz UIPLWBZDAIQKPW-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN CCCOC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000858981834 588988022 /nfs/dbraw/zinc/98/80/22/588988022.db2.gz MTUVICJHDSXCRW-LBPRGKRZSA-N 0 1 242.363 2.387 20 0 BEADMN CO[C@@H](C)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901837521 584499999 /nfs/dbraw/zinc/49/99/99/584499999.db2.gz CLRPNXMKAFOMPW-NSHDSACASA-N 0 1 245.363 2.090 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890482 584501796 /nfs/dbraw/zinc/50/17/96/584501796.db2.gz JWKRYSBMOHAGTB-MNOVXSKESA-N 0 1 245.388 2.172 20 0 BEADMN CC[C@H](C)C[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901913621 584503044 /nfs/dbraw/zinc/50/30/44/584503044.db2.gz CCAGMOWZEWUWCL-GWCFXTLKSA-N 0 1 243.322 2.311 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901913624 584503147 /nfs/dbraw/zinc/50/31/47/584503147.db2.gz CCAGMOWZEWUWCL-ZWNOBZJWSA-N 0 1 243.322 2.311 20 0 BEADMN C/C(=C/c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901980709 584511647 /nfs/dbraw/zinc/51/16/47/584511647.db2.gz XAYGLVLJYQIBJE-MMRAYRKESA-N 0 1 233.311 2.495 20 0 BEADMN Cc1occc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000902017762 584513738 /nfs/dbraw/zinc/51/37/38/584513738.db2.gz QSAIVEQKVBAAFY-BXKDBHETSA-N 0 1 237.299 2.273 20 0 BEADMN CN(CN1Cc2ccccc2C1=O)C1CCCC1 ZINC000902041865 584515661 /nfs/dbraw/zinc/51/56/61/584515661.db2.gz MUILAWKQGNNWGA-UHFFFAOYSA-N 0 1 244.338 2.474 20 0 BEADMN Cc1occc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000902045057 584516282 /nfs/dbraw/zinc/51/62/82/584516282.db2.gz QFZDHDAVXQZOCG-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN CNc1ccc(C)cc1CNCc1ccnn1C ZINC000902064261 584522523 /nfs/dbraw/zinc/52/25/23/584522523.db2.gz REJKJELJNFFXTH-UHFFFAOYSA-N 0 1 244.342 2.060 20 0 BEADMN OCc1ccc(CNc2nccn2C2CC2)cc1 ZINC000902113266 584526720 /nfs/dbraw/zinc/52/67/20/584526720.db2.gz BYYUNBNWPDXXNL-UHFFFAOYSA-N 0 1 243.310 2.322 20 0 BEADMN CCn1cc(CNc2nccn2C2CC2)c(C)n1 ZINC000902114615 584527448 /nfs/dbraw/zinc/52/74/48/584527448.db2.gz PONISICOMZMEOI-UHFFFAOYSA-N 0 1 245.330 2.355 20 0 BEADMN COc1ccc(CNc2nccn2C2CC2)o1 ZINC000902114572 584527638 /nfs/dbraw/zinc/52/76/38/584527638.db2.gz NNILZHAZOVQUKS-UHFFFAOYSA-N 0 1 233.271 2.432 20 0 BEADMN CCc1oc(C[N@@H+](C)CC2CC2)cc1C(=O)[O-] ZINC000902149111 584530490 /nfs/dbraw/zinc/53/04/90/584530490.db2.gz IQJVDXTXABUBRQ-UHFFFAOYSA-N 0 1 237.299 2.382 20 0 BEADMN CC(C)C[C@@H]1CCCN(CN2CCOC2=O)C1 ZINC000902183071 584533074 /nfs/dbraw/zinc/53/30/74/584533074.db2.gz NWLRBAXAMYBVIP-LBPRGKRZSA-N 0 1 240.347 2.154 20 0 BEADMN Cc1noc([C@@H](C)SCc2[nH]ncc2C)n1 ZINC000902295731 584552827 /nfs/dbraw/zinc/55/28/27/584552827.db2.gz FNSDVXPCRIRWQA-SSDOTTSWSA-N 0 1 238.316 2.404 20 0 BEADMN C[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859062661 588995722 /nfs/dbraw/zinc/99/57/22/588995722.db2.gz BBUQPMLQXPFMDM-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN Cc1cn[nH]c1CSCCO[C@H]1CC1(F)F ZINC000902421637 584592940 /nfs/dbraw/zinc/59/29/40/584592940.db2.gz HPYCAAQFRZMZFB-VIFPVBQESA-N 0 1 248.298 2.376 20 0 BEADMN CCc1oc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000902432648 584595463 /nfs/dbraw/zinc/59/54/63/584595463.db2.gz QCKYQAZDUGGIGQ-NXEZZACHSA-N 0 1 249.310 2.382 20 0 BEADMN CCn1cnc(CNCCSCC(C)C)c1 ZINC000902413535 584599502 /nfs/dbraw/zinc/59/95/02/584599502.db2.gz NWJGFJQWQOBJGI-UHFFFAOYSA-N 0 1 241.404 2.382 20 0 BEADMN CN(Cc1ccnc(F)c1)C[C@H]1CCCCO1 ZINC000859089615 588999702 /nfs/dbraw/zinc/99/97/02/588999702.db2.gz SFORWKORYSJILQ-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCn1cnc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000902491261 584618139 /nfs/dbraw/zinc/61/81/39/584618139.db2.gz WLBQFSPWXHQBPD-QMMMGPOBSA-N 0 1 235.253 2.334 20 0 BEADMN CC(C)CN(C)Cc1cc(Cl)n(C)n1 ZINC000859093800 589000918 /nfs/dbraw/zinc/00/09/18/589000918.db2.gz VIXIRXQHSVJLGJ-UHFFFAOYSA-N 0 1 215.728 2.161 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1cn(CC)cn1)OC ZINC000902577971 584637935 /nfs/dbraw/zinc/63/79/35/584637935.db2.gz KIRGGHVZZWSILN-YPMHNXCESA-N 0 1 239.363 2.054 20 0 BEADMN CCC[C@H](C)CCCN1CCCNC(=O)C1 ZINC000859116844 589004082 /nfs/dbraw/zinc/00/40/82/589004082.db2.gz ZAHOXTSBGCRJLF-LBPRGKRZSA-N 0 1 226.364 2.025 20 0 BEADMN CCC[C@@H](C)CCCN1CCCNC(=O)C1 ZINC000859116842 589004246 /nfs/dbraw/zinc/00/42/46/589004246.db2.gz ZAHOXTSBGCRJLF-GFCCVEGCSA-N 0 1 226.364 2.025 20 0 BEADMN CCc1ccc(NC(=O)NC[C@@H]2CCN2C)cc1 ZINC000902934488 584699724 /nfs/dbraw/zinc/69/97/24/584699724.db2.gz PCLGXTQLGBEBQJ-ZDUSSCGKSA-N 0 1 247.342 2.075 20 0 BEADMN Cc1cc(C)cc(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000902935667 584700236 /nfs/dbraw/zinc/70/02/36/584700236.db2.gz ZJHCYHILVHMCFP-ZDUSSCGKSA-N 0 1 247.342 2.129 20 0 BEADMN COC(=O)c1ccc([C@@H](C)NCCF)c(C)c1 ZINC000902979365 584707842 /nfs/dbraw/zinc/70/78/42/584707842.db2.gz RXWKRLHODQRWHV-SNVBAGLBSA-N 0 1 239.290 2.402 20 0 BEADMN F[C@H]1CCCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000902991854 584710461 /nfs/dbraw/zinc/71/04/61/584710461.db2.gz CUDSXBROGXRESB-RYUDHWBXSA-N 0 1 227.323 2.380 20 0 BEADMN CC1(C)CO[C@@H](CN2CCC[C@@H](F)C2)C1 ZINC000902992238 584710878 /nfs/dbraw/zinc/71/08/78/584710878.db2.gz IBQUHTRFLCTIFD-GHMZBOCLSA-N 0 1 215.312 2.235 20 0 BEADMN CC(C)(C)c1nc(CN2CCC[C@H](F)C2)n[nH]1 ZINC000902992210 584710953 /nfs/dbraw/zinc/71/09/53/584710953.db2.gz HZNNEOBVWCHXNH-VIFPVBQESA-N 0 1 240.326 2.036 20 0 BEADMN CC(F)(F)CN[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902999375 584714785 /nfs/dbraw/zinc/71/47/85/584714785.db2.gz BQRUQZXRTBLROO-FBDQPXRJSA-N 0 1 231.286 2.045 20 0 BEADMN CC(C)CCOCCN1CCC[C@@H](F)C1 ZINC000903001722 584716054 /nfs/dbraw/zinc/71/60/54/584716054.db2.gz QIFXSDPPFJQLBM-GFCCVEGCSA-N 0 1 217.328 2.483 20 0 BEADMN CC(C)CCOCCN1CCC[C@H](F)C1 ZINC000903001723 584716336 /nfs/dbraw/zinc/71/63/36/584716336.db2.gz QIFXSDPPFJQLBM-LBPRGKRZSA-N 0 1 217.328 2.483 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cn(C)nn1 ZINC000903037816 584720091 /nfs/dbraw/zinc/72/00/91/584720091.db2.gz CEUVIEMYQMVXPC-OUAUKWLOSA-N 0 1 236.363 2.290 20 0 BEADMN CCCSC[C@@H](C)NCc1nccn1C ZINC000903089018 584725258 /nfs/dbraw/zinc/72/52/58/584725258.db2.gz OBWFASNYRSUQJB-SNVBAGLBSA-N 0 1 227.377 2.041 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1cc(C(C)C)no1 ZINC000903098897 584726744 /nfs/dbraw/zinc/72/67/44/584726744.db2.gz VDWLYYXMULAYMQ-AAEUAGOBSA-N 0 1 238.331 2.455 20 0 BEADMN CC[C@@H](C)NCc1ncc(Br)cn1 ZINC000903318472 584750994 /nfs/dbraw/zinc/75/09/94/584750994.db2.gz KZUICMBYTRFMJT-SSDOTTSWSA-N 0 1 244.136 2.127 20 0 BEADMN c1cnc([C@H](N[C@@H]2CCCSC2)C2CC2)nc1 ZINC000903327382 584753626 /nfs/dbraw/zinc/75/36/26/584753626.db2.gz SJAQXKDSOFEJFD-VXGBXAGGSA-N 0 1 249.383 2.413 20 0 BEADMN COC[C@H](N[C@@H](c1ncccn1)C1CC1)C(C)C ZINC000903326373 584753666 /nfs/dbraw/zinc/75/36/66/584753666.db2.gz LCIFWXZQMQNDOR-QWHCGFSZSA-N 0 1 249.358 2.188 20 0 BEADMN CC1(C)CCC[C@H](CN[C@@H]2CCn3ccnc32)O1 ZINC000903357126 584755762 /nfs/dbraw/zinc/75/57/62/584755762.db2.gz WSPVNOOQOJFIEP-VXGBXAGGSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C)c1cc(O)ccc1F ZINC000903393598 584756365 /nfs/dbraw/zinc/75/63/65/584756365.db2.gz PZDNXJOYYKRRPT-MWODSPESSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C)c1cccc(O)c1F ZINC000903393887 584756540 /nfs/dbraw/zinc/75/65/40/584756540.db2.gz VIPMGCIRPUWGIB-YWVKMMECSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1ccn(C)n1 ZINC000903389295 584757731 /nfs/dbraw/zinc/75/77/31/584757731.db2.gz OTSLKBUFEMZBBS-WCQYABFASA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](N[C@H]1CCOC12CCCC2)c1ccn(C)n1 ZINC000903389293 584757800 /nfs/dbraw/zinc/75/78/00/584757800.db2.gz OTSLKBUFEMZBBS-AAEUAGOBSA-N 0 1 249.358 2.172 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903417097 584760365 /nfs/dbraw/zinc/76/03/65/584760365.db2.gz VOLKYPBNJFTUBE-NFAWXSAZSA-N 0 1 245.322 2.123 20 0 BEADMN CC1(C)CN(Cc2ccnc(F)c2)CCCO1 ZINC000859144270 589009085 /nfs/dbraw/zinc/00/90/85/589009085.db2.gz NXCLUMQUUBGELB-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000903607134 584784548 /nfs/dbraw/zinc/78/45/48/584784548.db2.gz HOEUUXNBXALVBW-AXFHLTTASA-N 0 1 231.311 2.167 20 0 BEADMN C=C/C=C/CC[N@@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000903606700 584784635 /nfs/dbraw/zinc/78/46/35/584784635.db2.gz CYLDJJNLAVZCHX-ONEGZZNKSA-N 0 1 221.300 2.200 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000903605880 584784748 /nfs/dbraw/zinc/78/47/48/584784748.db2.gz DHMKXLPJTFFORN-HBNTYKKESA-N 0 1 227.348 2.464 20 0 BEADMN CCC[N@@H+](CC)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000903595025 584785360 /nfs/dbraw/zinc/78/53/60/584785360.db2.gz IOKWPXTUIIIMSO-UWVGGRQHSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000903594338 584785574 /nfs/dbraw/zinc/78/55/74/584785574.db2.gz FPEBSKKFGZYAHF-ONGXEEELSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000903597807 584786059 /nfs/dbraw/zinc/78/60/59/584786059.db2.gz PKOHLUGTYGMFQB-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000903597521 584786271 /nfs/dbraw/zinc/78/62/71/584786271.db2.gz NUKSKAAMBJHSBT-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000903597505 584786339 /nfs/dbraw/zinc/78/63/39/584786339.db2.gz NPBBVDHSPHDBSD-UKKRHICBSA-N 0 1 225.332 2.074 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCC1=CCCCC1 ZINC000903615414 584786635 /nfs/dbraw/zinc/78/66/35/584786635.db2.gz XLNKQNNWPQRHBW-RYUDHWBXSA-N 0 1 241.306 2.374 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616472 584786936 /nfs/dbraw/zinc/78/69/36/584786936.db2.gz FALXYVHEYPRVGV-VWYCJHECSA-N 0 1 231.311 2.166 20 0 BEADMN CC(C)C[N@@H+](CCCF)CC(C)(C)C(=O)[O-] ZINC000903620811 584787452 /nfs/dbraw/zinc/78/74/52/584787452.db2.gz FIYBRHBGKRHVCO-UHFFFAOYSA-N 0 1 233.327 2.415 20 0 BEADMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CC[C@H](CF)C1 ZINC000903611418 584787585 /nfs/dbraw/zinc/78/75/85/584787585.db2.gz MOOHEMFODUCISC-PSASIEDQSA-N 0 1 243.303 2.165 20 0 BEADMN C/C(=C\C[N@H+]1CCCC12CCC2)C(=O)[O-] ZINC000903630264 584788333 /nfs/dbraw/zinc/78/83/33/584788333.db2.gz AEMHBGQFDXCAOR-ONNFQVAWSA-N 0 1 209.289 2.036 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000903693717 584789713 /nfs/dbraw/zinc/78/97/13/584789713.db2.gz MTQGGODRBNRFKW-CXQJBGSLSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903891932 584814075 /nfs/dbraw/zinc/81/40/75/584814075.db2.gz VLLFPMUPXASEEN-SJHCENCUSA-N 0 1 237.343 2.360 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000903888072 584814106 /nfs/dbraw/zinc/81/41/06/584814106.db2.gz OULKGKVSOSSAJG-YNEHKIRRSA-N 0 1 237.343 2.362 20 0 BEADMN CCC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903893563 584819167 /nfs/dbraw/zinc/81/91/67/584819167.db2.gz GHXQCZKQRXNXOA-SDDRHHMPSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H]1CCCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893355 584819178 /nfs/dbraw/zinc/81/91/78/584819178.db2.gz CHCOXPVBVQBIRV-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893349 584819221 /nfs/dbraw/zinc/81/92/21/584819221.db2.gz BXUVMHXOLQWBPZ-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1(C)C ZINC000903895279 584819584 /nfs/dbraw/zinc/81/95/84/584819584.db2.gz CWEUHXPOIAYROP-GARJFASQSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903898304 584819627 /nfs/dbraw/zinc/81/96/27/584819627.db2.gz OOLXRQBZDISFPO-SCDSUCTJSA-N 0 1 245.322 2.326 20 0 BEADMN COC/C(C)=C\C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000903901407 584820190 /nfs/dbraw/zinc/82/01/90/584820190.db2.gz IITYRMPFJJSQTF-DSDFTUOUSA-N 0 1 243.347 2.010 20 0 BEADMN C[N@H+](Cc1cncc(C(=O)[O-])c1)C[C@H]1CC1(C)C ZINC000903910630 584821955 /nfs/dbraw/zinc/82/19/55/584821955.db2.gz XXNFFIYDSALKGJ-GFCCVEGCSA-N 0 1 248.326 2.258 20 0 BEADMN C/C=C\C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903911675 584822374 /nfs/dbraw/zinc/82/23/74/584822374.db2.gz LRNTVOQVMCBXSI-IJIIVYBTSA-N 0 1 237.343 2.385 20 0 BEADMN C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903911678 584822632 /nfs/dbraw/zinc/82/26/32/584822632.db2.gz LRNTVOQVMCBXSI-YGAZSBKKSA-N 0 1 237.343 2.385 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CC1=CCCC1 ZINC000903936451 584825868 /nfs/dbraw/zinc/82/58/68/584825868.db2.gz LFLYRCCEVBIMAC-YPMHNXCESA-N 0 1 221.300 2.036 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936809 584826318 /nfs/dbraw/zinc/82/63/18/584826318.db2.gz WBEVLZCLFHWOEL-PWSUYJOCSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@@H]1CSCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000903957133 584827459 /nfs/dbraw/zinc/82/74/59/584827459.db2.gz KAKKLNNOXQPLDE-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(-c2cccnc2)no1 ZINC000904078261 584839578 /nfs/dbraw/zinc/83/95/78/584839578.db2.gz XAEFFCXZWQRDAN-NSHDSACASA-N 0 1 246.314 2.438 20 0 BEADMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)nc1 ZINC000904077344 584839727 /nfs/dbraw/zinc/83/97/27/584839727.db2.gz USERVSVHQRYRST-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(-c2ccon2)no1 ZINC000904098349 584841185 /nfs/dbraw/zinc/84/11/85/584841185.db2.gz UJEFKGIATUAILM-VIFPVBQESA-N 0 1 236.275 2.031 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@]1(C)CC1(Cl)Cl ZINC000828357193 584903485 /nfs/dbraw/zinc/90/34/85/584903485.db2.gz ACTZZTNRULGOQF-VIFPVBQESA-N 0 1 248.157 2.425 20 0 BEADMN C/C=C/COC(=O)[C@H](CC)N(CC)CC ZINC000741032449 584904220 /nfs/dbraw/zinc/90/42/20/584904220.db2.gz KBMHBUVKZRAHOH-NKLKJHRZSA-N 0 1 213.321 2.226 20 0 BEADMN O=C(CN1CC[C@@H]2C[C@@H]21)N(C1CC1)C1CCCC1 ZINC000761089879 584909573 /nfs/dbraw/zinc/90/95/73/584909573.db2.gz SRNUSRKWXHKWPR-RISCZKNCSA-N 0 1 248.370 2.014 20 0 BEADMN CCC(F)(F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000832031875 584910903 /nfs/dbraw/zinc/91/09/03/584910903.db2.gz AAGSULIGUXFDLP-UHFFFAOYSA-N 0 1 243.257 2.131 20 0 BEADMN CCC[N@@H+](C)CC(=O)NCCC[C@H]1C=CCC1 ZINC000834334638 584913316 /nfs/dbraw/zinc/91/33/16/584913316.db2.gz OLWWOHRRRAQMEQ-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN COCC[C@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000754610067 584926471 /nfs/dbraw/zinc/92/64/71/584926471.db2.gz PZCJXYBYQXAHSK-VIFPVBQESA-N 0 1 248.282 2.145 20 0 BEADMN CCN(CCc1ccccn1)Cc1ccno1 ZINC000732197910 584934822 /nfs/dbraw/zinc/93/48/22/584934822.db2.gz DAOJRRYHBZDHPM-UHFFFAOYSA-N 0 1 231.299 2.134 20 0 BEADMN CCC[C@H](C)CC(=O)NCc1cc(CC)[nH]n1 ZINC000732788465 584940871 /nfs/dbraw/zinc/94/08/71/584940871.db2.gz MTNIRZCWOWXXQG-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CCc1cc(CNC(=O)C=C2CCCC2)n[nH]1 ZINC000732792173 584941125 /nfs/dbraw/zinc/94/11/25/584941125.db2.gz YMTDQTBSEZEVGP-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CCc1cc(CNC(=O)C=C2CCCCC2)n[nH]1 ZINC000732791505 584941150 /nfs/dbraw/zinc/94/11/50/584941150.db2.gz BMEJSOBGGCIZOP-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CC(C)n1cc([C@H](C)NC(=O)C(F)(F)F)cn1 ZINC000732800150 584941249 /nfs/dbraw/zinc/94/12/49/584941249.db2.gz HZZMGPPCZIBZBM-ZETCQYMHSA-N 0 1 249.236 2.204 20 0 BEADMN CCc1cc(CNc2ccnc(C3CC3)n2)n[nH]1 ZINC000732920972 584941790 /nfs/dbraw/zinc/94/17/90/584941790.db2.gz QFBFCKVMJAZDES-UHFFFAOYSA-N 0 1 243.314 2.252 20 0 BEADMN Cc1ccoc1C(=O)OCCN1CCCCC1 ZINC000732922108 584941960 /nfs/dbraw/zinc/94/19/60/584941960.db2.gz PZQYNQFXDHWWEV-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN OCCN(C/C=C\Cl)CCc1ccccc1 ZINC000733029704 584942373 /nfs/dbraw/zinc/94/23/73/584942373.db2.gz KOSCMNYWUYZAKR-YWEYNIOJSA-N 0 1 239.746 2.276 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(C2CCC2)CC1 ZINC000733276919 584945655 /nfs/dbraw/zinc/94/56/55/584945655.db2.gz ZALLSDZQQCOCIX-LFYBBSHMSA-N 0 1 236.359 2.039 20 0 BEADMN CCN(C(=O)Cc1ccn[nH]1)[C@H]1CCCC[C@H]1C ZINC000174532512 584948351 /nfs/dbraw/zinc/94/83/51/584948351.db2.gz BYRGDZDVKUIFLD-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nonc1C ZINC000733896765 584954771 /nfs/dbraw/zinc/95/47/71/584954771.db2.gz VYHVBSPWPDPGID-SNVBAGLBSA-N 0 1 209.293 2.143 20 0 BEADMN Cc1nonc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000734146527 584957285 /nfs/dbraw/zinc/95/72/85/584957285.db2.gz KAXRYRWYLGVSCE-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@H]1CCCN(Cc2nonc2C)C1 ZINC000734147676 584957289 /nfs/dbraw/zinc/95/72/89/584957289.db2.gz XIXPZHPBOUXDJN-JTQLQIEISA-N 0 1 209.293 2.000 20 0 BEADMN CCCN(Cc1nonc1C)CC(C)C ZINC000734147945 584957570 /nfs/dbraw/zinc/95/75/70/584957570.db2.gz WGBSAGXTKWRMDO-UHFFFAOYSA-N 0 1 211.309 2.246 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)[C@@H](C)C2(C)CC2)C1 ZINC000755919147 585001353 /nfs/dbraw/zinc/00/13/53/585001353.db2.gz IDHFBPPDEZBRCI-NWDGAFQWSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)c1cnc(CN[C@@H](C)[C@@H]2CCOC2)o1 ZINC000771812702 585007681 /nfs/dbraw/zinc/00/76/81/585007681.db2.gz MJVCPWQBUFXAJR-WDEREUQCSA-N 0 1 238.331 2.313 20 0 BEADMN CC(C)c1cnc(CN[C@@H](C)[C@H]2CCOC2)o1 ZINC000771812701 585007756 /nfs/dbraw/zinc/00/77/56/585007756.db2.gz MJVCPWQBUFXAJR-QWRGUYRKSA-N 0 1 238.331 2.313 20 0 BEADMN CC/C=C\CCN1CCCN(CCC)C(=O)C1 ZINC000588564368 585024398 /nfs/dbraw/zinc/02/43/98/585024398.db2.gz CVJXACDZMZAOIT-WAYWQWQTSA-N 0 1 238.375 2.287 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H](C)c2nccs2)C1 ZINC000658160056 585026271 /nfs/dbraw/zinc/02/62/71/585026271.db2.gz DEYPGFBDWQXPRM-GUBZILKMSA-N 0 1 226.345 2.361 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@H]1CCC=CO1 ZINC000825005498 585028980 /nfs/dbraw/zinc/02/89/80/585028980.db2.gz MUHRZLSVDCLHQL-VXGBXAGGSA-N 0 1 235.331 2.246 20 0 BEADMN CCc1nc(CN[C@@H]2CCO[C@H](CC)C2)co1 ZINC000825061694 585029050 /nfs/dbraw/zinc/02/90/50/585029050.db2.gz IVJSPOMMAACXTR-ZYHUDNBSSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CC[C@@H](C3CC3)O2)[C@H]1C ZINC000886041867 585036750 /nfs/dbraw/zinc/03/67/50/585036750.db2.gz ROBWBSXVBPHUHY-IMIFBBOLSA-N 0 1 239.359 2.053 20 0 BEADMN CC(C)[C@@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000775058084 585037119 /nfs/dbraw/zinc/03/71/19/585037119.db2.gz SQXSKMZELWQSSD-STQMWFEESA-N 0 1 225.332 2.036 20 0 BEADMN CCN(Cn1c2ccccc2oc1=O)C1CCC1 ZINC000738054356 585040544 /nfs/dbraw/zinc/04/05/44/585040544.db2.gz JHWHDPFKWWISTL-UHFFFAOYSA-N 0 1 246.310 2.426 20 0 BEADMN CCN(Cn1cc(Cl)cn1)C1CCC1 ZINC000738052261 585040670 /nfs/dbraw/zinc/04/06/70/585040670.db2.gz GTXZVEBQWWOAIT-UHFFFAOYSA-N 0 1 213.712 2.368 20 0 BEADMN CCn1ncc(CN(CC(C)C)C(C)C)n1 ZINC000838795368 585068659 /nfs/dbraw/zinc/06/86/59/585068659.db2.gz BTKRCJUUPLCGPO-UHFFFAOYSA-N 0 1 224.352 2.164 20 0 BEADMN CCn1ncc(CN(C)C2CCC(C)CC2)n1 ZINC000838786550 585069960 /nfs/dbraw/zinc/06/99/60/585069960.db2.gz IIUQAAZVTPWFQF-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000838790354 585070233 /nfs/dbraw/zinc/07/02/33/585070233.db2.gz ZMKSAIAPEAJBFA-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CC[C@H](CC(C)C)C2)n1 ZINC000838833461 585073604 /nfs/dbraw/zinc/07/36/04/585073604.db2.gz JRLBRQJCCBAJCF-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN C[C@@H](O)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000838841703 585074086 /nfs/dbraw/zinc/07/40/86/585074086.db2.gz QLXSHLKCRXFFFR-RGCMKSIDSA-N 0 1 249.354 2.218 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1cnn(CC)n1 ZINC000838854306 585074968 /nfs/dbraw/zinc/07/49/68/585074968.db2.gz MXRMJOROVBZXQK-LLVKDONJSA-N 0 1 224.352 2.166 20 0 BEADMN CCn1ncc(CNCCCc2ccccc2)n1 ZINC000838891860 585078997 /nfs/dbraw/zinc/07/89/97/585078997.db2.gz PIUBYXSKBQSBMW-UHFFFAOYSA-N 0 1 244.342 2.020 20 0 BEADMN CC(C)CCCCC(=O)OCc1c[nH]nn1 ZINC000838897020 585079027 /nfs/dbraw/zinc/07/90/27/585079027.db2.gz HMWCVMAUFYNVHB-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CC1(C)CCC(C(=O)OCc2c[nH]nn2)CC1 ZINC000838899103 585079530 /nfs/dbraw/zinc/07/95/30/585079530.db2.gz GHNSOGSFVYWSDR-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN CC1(C)CCC[C@H](C(=O)OCc2c[nH]nn2)C1 ZINC000838898581 585079651 /nfs/dbraw/zinc/07/96/51/585079651.db2.gz NHGSYMAHBIJIRS-VIFPVBQESA-N 0 1 237.303 2.064 20 0 BEADMN CC1(C)CCCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838900712 585080103 /nfs/dbraw/zinc/08/01/03/585080103.db2.gz SOHATVGCGNHLHD-SNVBAGLBSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)=C[C@H]1[C@@H](C(=O)OCc2c[nH]nn2)C1(C)C ZINC000838899857 585080191 /nfs/dbraw/zinc/08/01/91/585080191.db2.gz AWGLFCOKUYWVIK-QWRGUYRKSA-N 0 1 249.314 2.086 20 0 BEADMN O=C(OCc1c[nH]nn1)C1CCCCCCC1 ZINC000838902278 585080283 /nfs/dbraw/zinc/08/02/83/585080283.db2.gz HLGQACAWVXBDRO-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CCn1ncc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC000839008203 585086739 /nfs/dbraw/zinc/08/67/39/585086739.db2.gz LEKRVECQIDBYRH-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN Cc1cc(CN2CC(C(C)(C)O)C2)c(C)o1 ZINC000839140766 585094539 /nfs/dbraw/zinc/09/45/39/585094539.db2.gz VOKPRAPSIIFWIN-UHFFFAOYSA-N 0 1 223.316 2.099 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC[C@@H](C3CC3)O2)C[C@H](C)O1 ZINC000886116906 585105446 /nfs/dbraw/zinc/10/54/46/585105446.db2.gz VHKQQJVWBIGSMU-WVWOOGAGSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC3(CCCC3)C2)[nH]1 ZINC000839499937 585105719 /nfs/dbraw/zinc/10/57/19/585105719.db2.gz YUGUHUSZTTVIMB-SNVBAGLBSA-N 0 1 234.347 2.440 20 0 BEADMN OCC[C@@H](NCc1ccoc1)c1ccccc1 ZINC000740900110 585107818 /nfs/dbraw/zinc/10/78/18/585107818.db2.gz CGDUWUKFSATDQT-CQSZACIVSA-N 0 1 231.295 2.493 20 0 BEADMN CC[C@@H](C(=O)OC/C=C\Cl)N(CC)CC ZINC000741032585 585109386 /nfs/dbraw/zinc/10/93/86/585109386.db2.gz KTGRZDJLGVBBAI-DMEOUFDRSA-N 0 1 233.739 2.403 20 0 BEADMN CC[C@H](C)OC(=O)[C@H](CC)N(CC)CC ZINC000741031965 585109648 /nfs/dbraw/zinc/10/96/48/585109648.db2.gz BZKAFEHJHUJYPG-QWRGUYRKSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C2CCC1CC2 ZINC000741776134 585118154 /nfs/dbraw/zinc/11/81/54/585118154.db2.gz WTPNJUUBRSJEMN-UNXYVOJBSA-N 0 1 225.332 2.345 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000741778536 585118220 /nfs/dbraw/zinc/11/82/20/585118220.db2.gz JLDINUMEWHQWRC-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@H]1C ZINC000741793763 585119291 /nfs/dbraw/zinc/11/92/91/585119291.db2.gz CCTGIOLLJUDKCO-TUAOUCFPSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@@H]1C ZINC000741795625 585119433 /nfs/dbraw/zinc/11/94/33/585119433.db2.gz POWPDZNRLNLJBP-DCAQKATOSA-N 0 1 213.321 2.058 20 0 BEADMN CCN(CC)[C@@H](CNC(=O)OC)c1ccco1 ZINC000742402519 585125696 /nfs/dbraw/zinc/12/56/96/585125696.db2.gz BGELUKRDXUAFMR-JTQLQIEISA-N 0 1 240.303 2.019 20 0 BEADMN C/C(=C/C(=O)NCc1cn[nH]c1C)C(C)(C)C ZINC000742582085 585128471 /nfs/dbraw/zinc/12/84/71/585128471.db2.gz FBXXJVXZBLXYOW-TWGQIWQCSA-N 0 1 235.331 2.327 20 0 BEADMN CC(C)N(CC1CC1)Cn1cc[nH]c1=S ZINC000743353621 585135650 /nfs/dbraw/zinc/13/56/50/585135650.db2.gz GJWZTVUSFJNKND-UHFFFAOYSA-N 0 1 225.361 2.250 20 0 BEADMN CCN(Cn1cc[nH]c1=S)C1CCCC1 ZINC000743352328 585135683 /nfs/dbraw/zinc/13/56/83/585135683.db2.gz LLDQIYKNUJNYEG-UHFFFAOYSA-N 0 1 225.361 2.394 20 0 BEADMN CC[C@H](C)CN(C)Cn1cc[nH]c1=S ZINC000743364669 585135912 /nfs/dbraw/zinc/13/59/12/585135912.db2.gz OLXXQHXOBWNCCC-VIFPVBQESA-N 0 1 213.350 2.107 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ccncc1)C(F)(F)F ZINC000743476840 585137480 /nfs/dbraw/zinc/13/74/80/585137480.db2.gz MKYMODOHFAVATQ-SCZZXKLOSA-N 0 1 248.248 2.310 20 0 BEADMN CSCCOC(=O)c1cccc2[nH]ncc21 ZINC000744336764 585148782 /nfs/dbraw/zinc/14/87/82/585148782.db2.gz YAOODXZOFGREKL-UHFFFAOYSA-N 0 1 236.296 2.083 20 0 BEADMN CC[C@@H](C(=O)OCCCSC)N(CC)CC ZINC000745095614 585156415 /nfs/dbraw/zinc/15/64/15/585156415.db2.gz QVSLTGHAXSOVLO-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN CC[C@H](C(=O)OCCC1CC1)N(CC)CC ZINC000745094197 585156810 /nfs/dbraw/zinc/15/68/10/585156810.db2.gz WZFABOATOBYGTI-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cccnc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000746130393 585163374 /nfs/dbraw/zinc/16/33/74/585163374.db2.gz UBJFOOJWMKXSQA-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cccnc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000746130393 585163375 /nfs/dbraw/zinc/16/33/75/585163375.db2.gz UBJFOOJWMKXSQA-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cccnc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000746130395 585163465 /nfs/dbraw/zinc/16/34/65/585163465.db2.gz UBJFOOJWMKXSQA-VXGBXAGGSA-N 0 1 247.342 2.201 20 0 BEADMN CC(C)C[C@H]1CCCN1Cn1ccsc1=O ZINC000746610959 585170962 /nfs/dbraw/zinc/17/09/62/585170962.db2.gz JSVNTXOQUCOGOD-LLVKDONJSA-N 0 1 240.372 2.378 20 0 BEADMN CNC(=O)CN(CCC(C)C)Cc1ccccc1 ZINC000746657532 585172057 /nfs/dbraw/zinc/17/20/57/585172057.db2.gz GLIPLGLBAPSADB-UHFFFAOYSA-N 0 1 248.370 2.281 20 0 BEADMN CCc1cc(CNC(=O)C2=C(C)CCC2)n[nH]1 ZINC000747417454 585178625 /nfs/dbraw/zinc/17/86/25/585178625.db2.gz RXMHPUKJCQFRNZ-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CCCCC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000748522230 585193642 /nfs/dbraw/zinc/19/36/42/585193642.db2.gz HHIJRDGYBIOWPU-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCN1CCN(C(=O)OCC(C)C)CC1 ZINC000749331353 585201233 /nfs/dbraw/zinc/20/12/33/585201233.db2.gz LXBXQIXSFHOTIQ-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CCCN(C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749947916 585208750 /nfs/dbraw/zinc/20/87/50/585208750.db2.gz IWLWOWOLKRZCKX-VXGBXAGGSA-N 0 1 224.348 2.077 20 0 BEADMN CN(CN1C(=O)[C@H]2CCCCC[C@H]21)C1CCC1 ZINC000749957732 585208808 /nfs/dbraw/zinc/20/88/08/585208808.db2.gz BFRBIFMUHZVVCW-QWHCGFSZSA-N 0 1 236.359 2.219 20 0 BEADMN Cc1ccc2c(c1)CCCN2C(=O)[C@H](C)N(C)C ZINC000750191392 585212259 /nfs/dbraw/zinc/21/22/59/585212259.db2.gz CTDBTMQMGABWFS-LBPRGKRZSA-N 0 1 246.354 2.224 20 0 BEADMN CCC[C@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789927401 585212632 /nfs/dbraw/zinc/21/26/32/585212632.db2.gz LMUXYFMFUPLFSG-NSHDSACASA-N 0 1 244.298 2.327 20 0 BEADMN CCCN(CC)Cn1c2ccccc2oc1=O ZINC000750600591 585217934 /nfs/dbraw/zinc/21/79/34/585217934.db2.gz AQQYYXUZVNVUDN-UHFFFAOYSA-N 0 1 234.299 2.284 20 0 BEADMN c1csc(CCN2CCc3c[nH]nc3C2)c1 ZINC000750721911 585218920 /nfs/dbraw/zinc/21/89/20/585218920.db2.gz NXOQSEVIWBQIRY-UHFFFAOYSA-N 0 1 233.340 2.072 20 0 BEADMN C/C=C(\C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000751363244 585227469 /nfs/dbraw/zinc/22/74/69/585227469.db2.gz JDVMLJMOWUPRMO-FPYGCLRLSA-N 0 1 215.256 2.468 20 0 BEADMN COc1ncc(CN(C)C2CC2)cc1Cl ZINC000751958287 585239790 /nfs/dbraw/zinc/23/97/90/585239790.db2.gz IYRNPKVQYCSBCM-UHFFFAOYSA-N 0 1 226.707 2.338 20 0 BEADMN C[C@H](N(C)Cn1cc[nH]c1=S)C1(C)CC1 ZINC000753107665 585253620 /nfs/dbraw/zinc/25/36/20/585253620.db2.gz BLUCVDJXHFZAPF-VIFPVBQESA-N 0 1 225.361 2.250 20 0 BEADMN C[C@@H](N(C)CN1CCSC1=O)C1(C)CC1 ZINC000753111959 585253971 /nfs/dbraw/zinc/25/39/71/585253971.db2.gz PZVFNOQVRGVSSP-SECBINFHSA-N 0 1 228.361 2.233 20 0 BEADMN C[C@@H]1[C@H](C)[N@@H+](CCC(=O)C(C)(C)C)CCN1C ZINC000753745967 585267907 /nfs/dbraw/zinc/26/79/07/585267907.db2.gz LNGHPNJVPIETIX-NEPJUHHUSA-N 0 1 240.391 2.016 20 0 BEADMN CCC(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000753749118 585268074 /nfs/dbraw/zinc/26/80/74/585268074.db2.gz NZGXNVGVHPBYMP-SNVBAGLBSA-N 0 1 235.274 2.059 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@H](O)c1ccccc1 ZINC000753833936 585270658 /nfs/dbraw/zinc/27/06/58/585270658.db2.gz LUEBANZPVDTLPI-JSGCOSHPSA-N 0 1 249.354 2.219 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000754198902 585280264 /nfs/dbraw/zinc/28/02/64/585280264.db2.gz ZJMFBVVBZIHZMA-XSNHNAGMSA-N 0 1 238.375 2.285 20 0 BEADMN O=C(/C=C\C1CCCCC1)NCc1cnc[nH]1 ZINC000754295041 585282111 /nfs/dbraw/zinc/28/21/11/585282111.db2.gz VXVWYSBYWXAWMS-SREVYHEPSA-N 0 1 233.315 2.162 20 0 BEADMN CC1(C)CCN1C[C@H](O)c1cccc(F)c1 ZINC000754657092 585288721 /nfs/dbraw/zinc/28/87/21/585288721.db2.gz GTUZSKNJWHXREJ-LBPRGKRZSA-N 0 1 223.291 2.343 20 0 BEADMN CC/C=C\CCOC(=O)Cc1cc(C)[nH]n1 ZINC000756247065 585316371 /nfs/dbraw/zinc/31/63/71/585316371.db2.gz AMFMDGXWYXYQKW-PLNGDYQASA-N 0 1 222.288 2.160 20 0 BEADMN Cc1cc(C[NH2+]Cc2ccc(C(=O)[O-])o2)c(C)o1 ZINC000756284777 585317009 /nfs/dbraw/zinc/31/70/09/585317009.db2.gz FPAZONSSRVRXMJ-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN Cc1cc(CC(=O)OCc2ccsc2)n[nH]1 ZINC000756293321 585317062 /nfs/dbraw/zinc/31/70/62/585317062.db2.gz FIZIOHHXDPCZLZ-UHFFFAOYSA-N 0 1 236.296 2.066 20 0 BEADMN Cc1nc([C@H](C)N2CC[C@H](C(F)(F)F)C2)n[nH]1 ZINC000839534494 585329305 /nfs/dbraw/zinc/32/93/05/585329305.db2.gz STILTFHCQAWSGC-XPUUQOCRSA-N 0 1 248.252 2.058 20 0 BEADMN O=C([O-])CCC[N@H+]1CCc2c(F)cccc2C1 ZINC000757147469 585329539 /nfs/dbraw/zinc/32/95/39/585329539.db2.gz YOVDQFIUTHUMCI-UHFFFAOYSA-N 0 1 237.274 2.049 20 0 BEADMN Cc1cc(CNC2COC(C)(C)OC2)c(C)o1 ZINC000758045440 585348693 /nfs/dbraw/zinc/34/86/93/585348693.db2.gz KALYWKQLXYTVTH-UHFFFAOYSA-N 0 1 239.315 2.138 20 0 BEADMN O=C(OC/C=C\Cl)[C@@H]1CCCc2[nH]ncc21 ZINC000758136575 585350496 /nfs/dbraw/zinc/35/04/96/585350496.db2.gz METKOLQMTFFYTP-ZTHSNPKKSA-N 0 1 240.690 2.125 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@](C)(CC)C1 ZINC000758747258 585359239 /nfs/dbraw/zinc/35/92/39/585359239.db2.gz KIBMWYNTXQLINO-AAEUAGOBSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@]1(C)CCN(Cc2nonc2C)C1 ZINC000758745628 585359511 /nfs/dbraw/zinc/35/95/11/585359511.db2.gz DQDJROYWCNWURS-NSHDSACASA-N 0 1 209.293 2.000 20 0 BEADMN CCO[C@H]1C[C@H](N(C)CCF)C1(C)C ZINC000759341803 585369083 /nfs/dbraw/zinc/36/90/83/585369083.db2.gz FMPVTULMUKHDCZ-UWVGGRQHSA-N 0 1 203.301 2.091 20 0 BEADMN FCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000759355244 585370888 /nfs/dbraw/zinc/37/08/88/585370888.db2.gz ZNOIZBMTSLHIDC-AWEZNQCLSA-N 0 1 237.318 2.290 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@@H](C)[C@H]1C ZINC000759383620 585371995 /nfs/dbraw/zinc/37/19/95/585371995.db2.gz MQBMXOXYZGGHRF-RDBSUJKOSA-N 0 1 243.391 2.427 20 0 BEADMN CC(C)=C(C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760032429 585384349 /nfs/dbraw/zinc/38/43/49/585384349.db2.gz UTCOHFFAHYXCGT-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN CC(C)=C(C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760032429 585384350 /nfs/dbraw/zinc/38/43/50/585384350.db2.gz UTCOHFFAHYXCGT-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN C[C@H](CC(=O)Nc1ccc2[nH]nnc2c1)C1CC1 ZINC000760710592 585395832 /nfs/dbraw/zinc/39/58/32/585395832.db2.gz IRLIHKXBMAOCQM-MRVPVSSYSA-N 0 1 244.298 2.333 20 0 BEADMN CC(C)CC1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000760940325 585402236 /nfs/dbraw/zinc/40/22/36/585402236.db2.gz PMONAWCPLOMFLA-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000760961790 585402745 /nfs/dbraw/zinc/40/27/45/585402745.db2.gz RSRMEPDGFKRHCF-AAEUAGOBSA-N 0 1 249.358 2.066 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1C ZINC000761074709 585405944 /nfs/dbraw/zinc/40/59/44/585405944.db2.gz FEGVDDQIGFSLOL-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]3C[C@@H]32)s1 ZINC000761085819 585407386 /nfs/dbraw/zinc/40/73/86/585407386.db2.gz NKGDIVGZNVWHQL-SCZZXKLOSA-N 0 1 237.324 2.129 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]3C[C@@H]32)nc1 ZINC000761090158 585407988 /nfs/dbraw/zinc/40/79/88/585407988.db2.gz JMJJWOWZDQQHRQ-MFKMUULPSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)n1 ZINC000761864549 585420919 /nfs/dbraw/zinc/42/09/19/585420919.db2.gz ORZCXLFLZZHLIV-JTQLQIEISA-N 0 1 247.342 2.254 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]([C@@H](C)C2CC2)C2CC2)n1 ZINC000761864549 585420920 /nfs/dbraw/zinc/42/09/20/585420920.db2.gz ORZCXLFLZZHLIV-JTQLQIEISA-N 0 1 247.342 2.254 20 0 BEADMN C[C@H]1CC2(CCC2)CN1CN1CCSC1=O ZINC000762141170 585427487 /nfs/dbraw/zinc/42/74/87/585427487.db2.gz IUYFTNFBQJRLLI-JTQLQIEISA-N 0 1 240.372 2.377 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1Cn1cc[nH]c1=S ZINC000762137040 585427692 /nfs/dbraw/zinc/42/76/92/585427692.db2.gz HAGCGSWXMMVHKY-SNVBAGLBSA-N 0 1 237.372 2.394 20 0 BEADMN Cc1cc(OC[C@@H]2CC3(CC3)C(=O)O2)cc(C)n1 ZINC000762208610 585429153 /nfs/dbraw/zinc/42/91/53/585429153.db2.gz JLDBPWWBZWDRNP-LBPRGKRZSA-N 0 1 247.294 2.173 20 0 BEADMN CC/C=C(\C)C(=O)NCCN1CC=C(C)CC1 ZINC000762701763 585435457 /nfs/dbraw/zinc/43/54/57/585435457.db2.gz QNYFQZYMGDGCEQ-WLRTZDKTSA-N 0 1 236.359 2.111 20 0 BEADMN C/C(=C/C(=O)N1CCN(C)[C@@H](C)C1)C(C)(C)C ZINC000762815333 585437772 /nfs/dbraw/zinc/43/77/72/585437772.db2.gz XKQWTHMBOZYLFH-MMRAYRKESA-N 0 1 238.375 2.141 20 0 BEADMN CO[C@@H](C)COC(=O)c1ccc(O)c(Cl)c1 ZINC000762832028 585438136 /nfs/dbraw/zinc/43/81/36/585438136.db2.gz VKKNONVHUMSTFJ-ZETCQYMHSA-N 0 1 244.674 2.237 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(F)=C1CCCC1 ZINC000763031376 585441801 /nfs/dbraw/zinc/44/18/01/585441801.db2.gz XSKBKIXRSQJBDN-UHFFFAOYSA-N 0 1 237.278 2.132 20 0 BEADMN CC[C@@H](C(=O)Nc1c[nH]nn1)c1ccc(F)cc1 ZINC000763200121 585444675 /nfs/dbraw/zinc/44/46/75/585444675.db2.gz YLCSKMDRYXLNQT-SNVBAGLBSA-N 0 1 248.261 2.076 20 0 BEADMN CCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763910257 585456712 /nfs/dbraw/zinc/45/67/12/585456712.db2.gz ABQPSIFGVPIFAC-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN C[C@@H](C(=O)OCC1CC1)N1[C@H](C)CC[C@H]1C ZINC000763983510 585458271 /nfs/dbraw/zinc/45/82/71/585458271.db2.gz WWRQBASUSUJYPH-MXWKQRLJSA-N 0 1 225.332 2.201 20 0 BEADMN CC[C@H](C)CON=C(N)CN1CCCCCC1 ZINC000764551684 585467802 /nfs/dbraw/zinc/46/78/02/585467802.db2.gz HZIIAMIXLVJXKH-LBPRGKRZSA-N 0 1 241.379 2.407 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cccc2[nH]cnc21 ZINC000764824097 585474875 /nfs/dbraw/zinc/47/48/75/585474875.db2.gz CFNAHPWDYMIUIH-SECBINFHSA-N 0 1 247.298 2.365 20 0 BEADMN C/C=C(/C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000765907673 585493719 /nfs/dbraw/zinc/49/37/19/585493719.db2.gz PVFJDJDQCSDGTJ-WTKPLQERSA-N 0 1 243.310 2.454 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cnn(CC)c2)[nH]n1 ZINC000765991722 585495325 /nfs/dbraw/zinc/49/53/25/585495325.db2.gz GKKGKOKRVQOOAN-JTQLQIEISA-N 0 1 247.346 2.039 20 0 BEADMN CC[C@@H](C)OC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766173538 585498707 /nfs/dbraw/zinc/49/87/07/585498707.db2.gz MJBOKOZPGYUUSH-MRVPVSSYSA-N 0 1 246.266 2.331 20 0 BEADMN CC(C)COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766175420 585498764 /nfs/dbraw/zinc/49/87/64/585498764.db2.gz RWRHQVLVIZFCKJ-UHFFFAOYSA-N 0 1 246.266 2.188 20 0 BEADMN CC/C=C/CCN(C)CC(C)(C)S(C)(=O)=O ZINC000767333807 585516661 /nfs/dbraw/zinc/51/66/61/585516661.db2.gz WQIOCJNGCOWFQP-BQYQJAHWSA-N 0 1 247.404 2.098 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCC(=O)C2CC2)on1 ZINC000767347538 585517032 /nfs/dbraw/zinc/51/70/32/585517032.db2.gz AKCFXVXLAUXMNI-LBPRGKRZSA-N 0 1 248.326 2.489 20 0 BEADMN O=C(CC[N@H+]1CCOc2ccccc2C1)C1CC1 ZINC000767363908 585517931 /nfs/dbraw/zinc/51/79/31/585517931.db2.gz LPEUUOISUIOIKC-UHFFFAOYSA-N 0 1 245.322 2.250 20 0 BEADMN O=C(CCN1CCOc2ccccc2C1)C1CC1 ZINC000767363908 585517932 /nfs/dbraw/zinc/51/79/32/585517932.db2.gz LPEUUOISUIOIKC-UHFFFAOYSA-N 0 1 245.322 2.250 20 0 BEADMN CC[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767807551 585526306 /nfs/dbraw/zinc/52/63/06/585526306.db2.gz UTIIFHHLWYIAAI-SECBINFHSA-N 0 1 245.282 2.427 20 0 BEADMN CC1(C2CCN(C/C=C/Cl)CC2)OCCO1 ZINC000767901951 585527956 /nfs/dbraw/zinc/52/79/56/585527956.db2.gz JOPCQERNXPCPPF-GORDUTHDSA-N 0 1 245.750 2.214 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cc(C(C)C)n[nH]1 ZINC000768897174 585545909 /nfs/dbraw/zinc/54/59/09/585545909.db2.gz MXRIKEUIQUPGHP-SECBINFHSA-N 0 1 239.319 2.335 20 0 BEADMN Cc1nonc1CN(CC1CCC1)C(C)C ZINC000769927791 585566499 /nfs/dbraw/zinc/56/64/99/585566499.db2.gz ORHYJHONROECEX-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN CCc1cc(CNc2cncc(SC)n2)n[nH]1 ZINC000770116115 585570877 /nfs/dbraw/zinc/57/08/77/585570877.db2.gz IAYGLZKUGCZBBH-UHFFFAOYSA-N 0 1 249.343 2.096 20 0 BEADMN CCCC[C@H](CC)C(=O)OCc1n[nH]c(C)n1 ZINC000770644629 585578899 /nfs/dbraw/zinc/57/88/99/585578899.db2.gz WDRNHLDKDYURGD-JTQLQIEISA-N 0 1 239.319 2.373 20 0 BEADMN Cc1nc(COC(=O)CC2CCCCC2)n[nH]1 ZINC000770646328 585579069 /nfs/dbraw/zinc/57/90/69/585579069.db2.gz CGOGKGOBTFCUTD-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000771944394 585605115 /nfs/dbraw/zinc/60/51/15/585605115.db2.gz WEMCMKLWTVDDFW-LMMOQWNQSA-N 0 1 238.375 2.189 20 0 BEADMN CSCCOC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000773522965 585639256 /nfs/dbraw/zinc/63/92/56/585639256.db2.gz NHWDDZKZFKBIDK-LLVKDONJSA-N 0 1 245.388 2.013 20 0 BEADMN CC[C@@H](CSC)[N@@H+](C)CCC(=O)C1CC1 ZINC000773707450 585642739 /nfs/dbraw/zinc/64/27/39/585642739.db2.gz OLIXKYJMTSCLBG-NSHDSACASA-N 0 1 229.389 2.429 20 0 BEADMN CC(C)C1(O)CN(CCCc2ccsc2)C1 ZINC000773893887 585645889 /nfs/dbraw/zinc/64/58/89/585645889.db2.gz GHDJJEGRIZTHKJ-UHFFFAOYSA-N 0 1 239.384 2.383 20 0 BEADMN CC(C)C(N)=NOCC[C@H]1CCCCO1 ZINC000774778929 585665944 /nfs/dbraw/zinc/66/59/44/585665944.db2.gz NRVSJRFWYRWCDC-SNVBAGLBSA-N 0 1 214.309 2.100 20 0 BEADMN CN(Cc1ccoc1)C[C@H]1CCC=CO1 ZINC000774853623 585667599 /nfs/dbraw/zinc/66/75/99/585667599.db2.gz OXDVOCFSHRNWER-GFCCVEGCSA-N 0 1 207.273 2.404 20 0 BEADMN C[C@@H](NCCNc1ccccc1)c1nccn1C ZINC000775394539 585677287 /nfs/dbraw/zinc/67/72/87/585677287.db2.gz FZYBLAOBRKDVFG-GFCCVEGCSA-N 0 1 244.342 2.183 20 0 BEADMN CC(C)COC(=O)CN1CCCC[C@@H](C)C1 ZINC000775732187 585683948 /nfs/dbraw/zinc/68/39/48/585683948.db2.gz PZBCLAOVZRASFU-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@H]1[C@H](C)N(Cc2coc(C3CC3)n2)CCN1C ZINC000775984343 585689029 /nfs/dbraw/zinc/68/90/29/585689029.db2.gz FMSSHKOJDPUXIC-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN COCC1=CCN(Cc2ccoc2)CC1 ZINC000775997109 585689274 /nfs/dbraw/zinc/68/92/74/585689274.db2.gz XEDSOMHCTCTUDI-UHFFFAOYSA-N 0 1 207.273 2.058 20 0 BEADMN CCN(Cc1ccccc1C)Cn1cnnc1 ZINC000776757176 585704103 /nfs/dbraw/zinc/70/41/03/585704103.db2.gz JARDPTMMQCKCPH-UHFFFAOYSA-N 0 1 230.315 2.066 20 0 BEADMN c1nncn1CN1CCC(C2CCCC2)CC1 ZINC000776759758 585704555 /nfs/dbraw/zinc/70/45/55/585704555.db2.gz DRBURXVBVYGBAS-UHFFFAOYSA-N 0 1 234.347 2.138 20 0 BEADMN C[C@@]1(O)CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596501 585716622 /nfs/dbraw/zinc/71/66/22/585716622.db2.gz QXNWGMMOGXGUKP-CYBMUJFWSA-N 0 1 223.291 2.113 20 0 BEADMN C[C@]1(c2ccccc2)CC[N@@H+](CC2OCCO2)C1 ZINC000777599647 585716854 /nfs/dbraw/zinc/71/68/54/585716854.db2.gz JUXVGUMMEHAMKU-HNNXBMFYSA-N 0 1 247.338 2.023 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cccnc2Cl)C1 ZINC000778395894 585733756 /nfs/dbraw/zinc/73/37/56/585733756.db2.gz JSVYIHQLVKCBCT-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000805611135 585738036 /nfs/dbraw/zinc/73/80/36/585738036.db2.gz NLKGXKQSLMIZNK-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CC[C@H](C(=O)OC[C@@H]1C[C@@H]1C)N(CC)CC ZINC000778618370 585738170 /nfs/dbraw/zinc/73/81/70/585738170.db2.gz SBCKQELLJGPJPO-SDDRHHMPSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)(C(=O)OC/C=C\Cl)N1CCCC1 ZINC000805613554 585740685 /nfs/dbraw/zinc/74/06/85/585740685.db2.gz RXRHHFPCRKLBSV-WAYWQWQTSA-N 0 1 231.723 2.157 20 0 BEADMN CC[C@H](C)COC(=O)C(C)(C)N1CCCC1 ZINC000805613402 585740743 /nfs/dbraw/zinc/74/07/43/585740743.db2.gz BBPJMLIUGSGRDJ-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN O[C@H](CN1CC=CCC1)c1ccc(F)c(F)c1 ZINC000778969797 585743137 /nfs/dbraw/zinc/74/31/37/585743137.db2.gz SDBCMZQVTRYMTD-CYBMUJFWSA-N 0 1 239.265 2.260 20 0 BEADMN CC(C)[C@H]1CCN1Cc1ccc(F)nc1 ZINC000779169313 585746754 /nfs/dbraw/zinc/74/67/54/585746754.db2.gz ZXDNAZQXBNGOSO-LLVKDONJSA-N 0 1 208.280 2.451 20 0 BEADMN Fc1ccc(CN2CCCSCC2)cn1 ZINC000779166333 585746892 /nfs/dbraw/zinc/74/68/92/585746892.db2.gz MXQWHSCJHLJREL-UHFFFAOYSA-N 0 1 226.320 2.160 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)CC1(C)C ZINC000780023993 585771627 /nfs/dbraw/zinc/77/16/27/585771627.db2.gz NYJRKTFXQAADQM-QXMHVHEDSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)[C@H]1CCCN(CN2CCSC2=O)C1 ZINC000780498974 585779563 /nfs/dbraw/zinc/77/95/63/585779563.db2.gz QPQIPSYCMHSRNW-NSHDSACASA-N 0 1 242.388 2.481 20 0 BEADMN CC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000781357398 585795123 /nfs/dbraw/zinc/79/51/23/585795123.db2.gz ONWDGTMWKNQYPP-ARJAWSKDSA-N 0 1 215.203 2.170 20 0 BEADMN C[C@@H](C1CC1)N1CCO[C@@H](c2ccco2)C1 ZINC000782186379 585811295 /nfs/dbraw/zinc/81/12/95/585811295.db2.gz JRDKMKPEXCJPJE-GXFFZTMASA-N 0 1 221.300 2.451 20 0 BEADMN O=C(CCCCc1cn[nH]n1)O[C@@H]1C=CCCC1 ZINC000782314250 585814876 /nfs/dbraw/zinc/81/48/76/585814876.db2.gz KCHCQCBVJBGLGX-GFCCVEGCSA-N 0 1 249.314 2.169 20 0 BEADMN OCCCCCCN1CCc2ncsc2C1 ZINC000782633063 585823795 /nfs/dbraw/zinc/82/37/95/585823795.db2.gz CZCRVLSUJWVQLW-UHFFFAOYSA-N 0 1 240.372 2.054 20 0 BEADMN C[C@H]1CC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000783285390 585833058 /nfs/dbraw/zinc/83/30/58/585833058.db2.gz QQBPRGAEPCJNJW-GXFFZTMASA-N 0 1 228.299 2.478 20 0 BEADMN C[C@H]1C[C@H](c2cccnc2)N(CCF)C1 ZINC000805750354 585840382 /nfs/dbraw/zinc/84/03/82/585840382.db2.gz JDYXXHPJGNDRJG-CMPLNLGQSA-N 0 1 208.280 2.434 20 0 BEADMN CN(C[C@H]1CC=CCC1)Cn1cc[nH]c1=S ZINC000784006651 585846407 /nfs/dbraw/zinc/84/64/07/585846407.db2.gz BBPKLRFPOPHUTD-NSHDSACASA-N 0 1 237.372 2.417 20 0 BEADMN CN(C[C@@H]1CC=CCC1)Cn1cc[nH]c1=S ZINC000784006650 585846470 /nfs/dbraw/zinc/84/64/70/585846470.db2.gz BBPKLRFPOPHUTD-LLVKDONJSA-N 0 1 237.372 2.417 20 0 BEADMN C[C@@H](CN1CC=CCC1)NC(=O)OC(C)(C)C ZINC000785480529 585874438 /nfs/dbraw/zinc/87/44/38/585874438.db2.gz IAKZZUZZYOGGBB-NSHDSACASA-N 0 1 240.347 2.162 20 0 BEADMN CC1(C)CN(CCC(=O)C2CC2)CC(C)(C)O1 ZINC000785521239 585875234 /nfs/dbraw/zinc/87/52/34/585875234.db2.gz HCKRPKBSALMYLX-UHFFFAOYSA-N 0 1 239.359 2.245 20 0 BEADMN CCCC(=O)COC(=O)c1cccc2[nH]ncc21 ZINC000785588509 585876228 /nfs/dbraw/zinc/87/62/28/585876228.db2.gz DWYQNSOZVFJBTR-UHFFFAOYSA-N 0 1 246.266 2.089 20 0 BEADMN CC[C@H](C)COC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000785743027 585879120 /nfs/dbraw/zinc/87/91/20/585879120.db2.gz KBMSNUNVJGENNU-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCC1CC1 ZINC000785744534 585879252 /nfs/dbraw/zinc/87/92/52/585879252.db2.gz QBAZTANPTBXGTF-PHIMTYICSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](C)OC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785736011 585879435 /nfs/dbraw/zinc/87/94/35/585879435.db2.gz OXDFUTMJVZHUKF-MXWKQRLJSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OC1CCCC1 ZINC000785739295 585879504 /nfs/dbraw/zinc/87/95/04/585879504.db2.gz AIAXYKMRDDLGQE-GHMZBOCLSA-N 0 1 225.332 2.345 20 0 BEADMN C[C@H](OC(=O)c1[nH]nc2c1CCCC2)C(F)F ZINC000786520525 585894043 /nfs/dbraw/zinc/89/40/43/585894043.db2.gz SLBIIKZZGDGAMU-LURJTMIESA-N 0 1 244.241 2.099 20 0 BEADMN CC(C)(C)[C@H](NC(=O)C(F)F)C(F)(F)F ZINC000787395955 585908806 /nfs/dbraw/zinc/90/88/06/585908806.db2.gz DHWBFGKFLXSPSG-LURJTMIESA-N 0 1 233.180 2.345 20 0 BEADMN Cc1nonc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000789453099 585943047 /nfs/dbraw/zinc/94/30/47/585943047.db2.gz YSYZQTPQQUOUON-FXPVBKGRSA-N 0 1 223.320 2.244 20 0 BEADMN Cc1nonc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000789453101 585943202 /nfs/dbraw/zinc/94/32/02/585943202.db2.gz YSYZQTPQQUOUON-WCABBAIRSA-N 0 1 223.320 2.244 20 0 BEADMN CC[C@H](C(=O)OCC1(F)CC1)N(CC)CC ZINC000789586284 585944892 /nfs/dbraw/zinc/94/48/92/585944892.db2.gz WFTAETYBMOIGKV-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN C/C=C(/CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000789807384 585951039 /nfs/dbraw/zinc/95/10/39/585951039.db2.gz UITUSLBDZAUIFO-JYOAFUTRSA-N 0 1 247.342 2.472 20 0 BEADMN CC=C(CC)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000789849699 585951791 /nfs/dbraw/zinc/95/17/91/585951791.db2.gz UPRBLIPZQBRZQE-WXLQGSQKSA-N 0 1 221.304 2.333 20 0 BEADMN O=C(CC1CCCCCC1)Nc1c[nH]nn1 ZINC000789928756 585953630 /nfs/dbraw/zinc/95/36/30/585953630.db2.gz ZOAQXYIJVUXKJP-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000789927064 585953675 /nfs/dbraw/zinc/95/36/75/585953675.db2.gz OWXCNFVJRJMFHG-GMTAPVOTSA-N 0 1 248.330 2.350 20 0 BEADMN Cc1ccccc1[C@@H](C)CC(=O)Nc1c[nH]nn1 ZINC000789926987 585953713 /nfs/dbraw/zinc/95/37/13/585953713.db2.gz IWQNQBKIWQZUQH-JTQLQIEISA-N 0 1 244.298 2.245 20 0 BEADMN O=C(C=Cc1ccc(Cl)cc1)Nc1c[nH]nn1 ZINC000789927392 585953907 /nfs/dbraw/zinc/95/39/07/585953907.db2.gz CBCNCGDJAVTAEG-UTCJRWHESA-N 0 1 248.673 2.110 20 0 BEADMN CCCC(N)=NOCCCC1CCOCC1 ZINC000790431707 585964476 /nfs/dbraw/zinc/96/44/76/585964476.db2.gz UNKIJLOZFLLCPR-UHFFFAOYSA-N 0 1 228.336 2.492 20 0 BEADMN CC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791057588 585973618 /nfs/dbraw/zinc/97/36/18/585973618.db2.gz YQWFYTWKMKAQSD-ARJAWSKDSA-N 0 1 215.256 2.386 20 0 BEADMN COC/C=C\C(=O)Nc1cccc(Cl)c1O ZINC000791391450 585980232 /nfs/dbraw/zinc/98/02/32/585980232.db2.gz LRDUNFSTTIKHAI-UTCJRWHESA-N 0 1 241.674 2.187 20 0 BEADMN Cc1ccnc(CN2CCOCC[C@@H]2C)c1 ZINC000792279792 585998870 /nfs/dbraw/zinc/99/88/70/585998870.db2.gz AXWHVEXILIIELH-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CCCCOC(=O)c1ccc2cncn2c1 ZINC000792549808 586002392 /nfs/dbraw/zinc/00/23/92/586002392.db2.gz GIBLXOXZLVEJCQ-UHFFFAOYSA-N 0 1 218.256 2.291 20 0 BEADMN Cc1cc([C@H](C)NCc2cccc(O)c2)n(C)n1 ZINC000793529229 586022067 /nfs/dbraw/zinc/02/20/67/586022067.db2.gz VWDPBOKOVKLEPR-NSHDSACASA-N 0 1 245.326 2.285 20 0 BEADMN Cc1nc(CN(C)c2ccc(C)c(C)c2)n[nH]1 ZINC000794276491 586036851 /nfs/dbraw/zinc/03/68/51/586036851.db2.gz UKYCQSYAEPBDQE-UHFFFAOYSA-N 0 1 230.315 2.366 20 0 BEADMN CCn1cc(CCN2CCC(F)(F)CC2)cn1 ZINC000794581852 586044953 /nfs/dbraw/zinc/04/49/53/586044953.db2.gz JTGROCDBNLFOOY-UHFFFAOYSA-N 0 1 243.301 2.177 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000859294450 589028627 /nfs/dbraw/zinc/02/86/27/589028627.db2.gz TZCJTEWPVSMUMC-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1nc(COC(=O)C=C2CCCCC2)n[nH]1 ZINC000795351527 586075505 /nfs/dbraw/zinc/07/55/05/586075505.db2.gz HHPNGUWGSJDVOE-UHFFFAOYSA-N 0 1 235.287 2.047 20 0 BEADMN C/C(=C/C(=O)OCc1n[nH]c(C)n1)C(C)(C)C ZINC000795440917 586079215 /nfs/dbraw/zinc/07/92/15/586079215.db2.gz ZTNXTXWPCJDCIK-VURMDHGXSA-N 0 1 237.303 2.149 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H](C)C2CC2)n1 ZINC000795448395 586079436 /nfs/dbraw/zinc/07/94/36/586079436.db2.gz UCWCPPQAYKLRSM-MRVPVSSYSA-N 0 1 237.303 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H](C)C2CC2)n[nH]1 ZINC000795448395 586079438 /nfs/dbraw/zinc/07/94/38/586079438.db2.gz UCWCPPQAYKLRSM-MRVPVSSYSA-N 0 1 237.303 2.017 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2=CCCC2)n1 ZINC000795458071 586079831 /nfs/dbraw/zinc/07/98/31/586079831.db2.gz JYNVXJRLMLMSTP-UHFFFAOYSA-N 0 1 235.287 2.082 20 0 BEADMN CC(C)c1nc(COC(=O)C2=CCCC2)n[nH]1 ZINC000795458071 586079832 /nfs/dbraw/zinc/07/98/32/586079832.db2.gz JYNVXJRLMLMSTP-UHFFFAOYSA-N 0 1 235.287 2.082 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CC2(C)CC2)n1 ZINC000795550757 586084746 /nfs/dbraw/zinc/08/47/46/586084746.db2.gz UDQFHMQGWZRHJQ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)CC2(C)CC2)n[nH]1 ZINC000795550757 586084748 /nfs/dbraw/zinc/08/47/48/586084748.db2.gz UDQFHMQGWZRHJQ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC/C=C/CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000795686743 586091140 /nfs/dbraw/zinc/09/11/40/586091140.db2.gz ZVFGVZSSZBATJU-MLRMMBSGSA-N 0 1 225.332 2.369 20 0 BEADMN C[C@H]1CC(=O)N(CN2CCC3(CCC3)CC2)C1 ZINC000795714562 586091400 /nfs/dbraw/zinc/09/14/00/586091400.db2.gz RABYPLOYBLCGOT-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN Fc1ccc(C2(NCc3cnc[nH]3)CC2)cc1 ZINC000796449057 586103115 /nfs/dbraw/zinc/10/31/15/586103115.db2.gz MWOITQGWTDIXKU-UHFFFAOYSA-N 0 1 231.274 2.328 20 0 BEADMN c1nc(CN[C@H](c2cccnc2)C2CC2)c[nH]1 ZINC000796447848 586103291 /nfs/dbraw/zinc/10/32/91/586103291.db2.gz FVDGMIWOQNUHGR-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN Cc1csc([C@H](NCc2cnc[nH]2)C2CC2)n1 ZINC000796451180 586103917 /nfs/dbraw/zinc/10/39/17/586103917.db2.gz RJYSAZRMBXHECP-LLVKDONJSA-N 0 1 248.355 2.416 20 0 BEADMN CCCCOC(=O)CCN1CCC(F)(F)CC1 ZINC000796536453 586105972 /nfs/dbraw/zinc/10/59/72/586105972.db2.gz CAVLORZXGWTVGI-UHFFFAOYSA-N 0 1 249.301 2.451 20 0 BEADMN CCOC(=O)CCCN1CCC(F)(F)CC1 ZINC000796536418 586106204 /nfs/dbraw/zinc/10/62/04/586106204.db2.gz BPVPEIAGBKXFFH-UHFFFAOYSA-N 0 1 235.274 2.061 20 0 BEADMN Cc1noc(CCCN2CCC(F)(F)CC2)n1 ZINC000796543465 586106924 /nfs/dbraw/zinc/10/69/24/586106924.db2.gz VQCYTZDMJJFIIW-UHFFFAOYSA-N 0 1 245.273 2.042 20 0 BEADMN CCC[C@](C)(CC)C(=O)OCCc1c[nH]nn1 ZINC000796728331 586111029 /nfs/dbraw/zinc/11/10/29/586111029.db2.gz UFJHBOCGYFINSF-LBPRGKRZSA-N 0 1 239.319 2.107 20 0 BEADMN CCC[C@](C)(CC)C(=O)OCCc1cnn[nH]1 ZINC000796728331 586111030 /nfs/dbraw/zinc/11/10/30/586111030.db2.gz UFJHBOCGYFINSF-LBPRGKRZSA-N 0 1 239.319 2.107 20 0 BEADMN Cc1ccccc1[C@H](O)CN[C@H](C)c1ncc[nH]1 ZINC000796760180 586111545 /nfs/dbraw/zinc/11/15/45/586111545.db2.gz LNMUVZWDEBBMFF-DGCLKSJQSA-N 0 1 245.326 2.102 20 0 BEADMN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1nnnn1C1CC1 ZINC000796967686 586117981 /nfs/dbraw/zinc/11/79/81/586117981.db2.gz YEPSQLDMNZCGNU-DLOVCJGASA-N 0 1 249.362 2.093 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC[S@](C)=O)cc1 ZINC000798193601 586139497 /nfs/dbraw/zinc/13/94/97/586139497.db2.gz MLGQMYYEHHKPGY-LRDDRELGSA-N 0 1 239.384 2.366 20 0 BEADMN C[C@@H]1CN(CC[S@@](C)=O)[C@H]1c1ccccc1 ZINC000798198062 586140229 /nfs/dbraw/zinc/14/02/29/586140229.db2.gz VTCOQTNLBGDMPG-AXAPSJFSSA-N 0 1 237.368 2.058 20 0 BEADMN CC/C=C\COC(=O)[C@H](C(C)C)N(C)C ZINC000798817831 586150272 /nfs/dbraw/zinc/15/02/72/586150272.db2.gz DEGWEMCQASJATI-TVRMLOFPSA-N 0 1 213.321 2.082 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H](C)C1CCC1)N(C)C ZINC000798838903 586150358 /nfs/dbraw/zinc/15/03/58/586150358.db2.gz UAAUDBJSRREUCD-JQWIXIFHSA-N 0 1 227.348 2.304 20 0 BEADMN CC/C=C\CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000798817762 586150414 /nfs/dbraw/zinc/15/04/14/586150414.db2.gz AEKGSHPFZLVKEM-QDZRJHCZSA-N 0 1 227.348 2.472 20 0 BEADMN CC(C)[C@H](C(=O)OCc1cccs1)N(C)C ZINC000798818283 586150418 /nfs/dbraw/zinc/15/04/18/586150418.db2.gz PMLUHJKQVCPEME-LLVKDONJSA-N 0 1 241.356 2.378 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CCCC1)N(C)C ZINC000798818219 586150472 /nfs/dbraw/zinc/15/04/72/586150472.db2.gz MYWOQCXYTWLROM-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CC/C=C\COC(=O)[C@@H](C(C)C)N(C)C ZINC000798817830 586150522 /nfs/dbraw/zinc/15/05/22/586150522.db2.gz DEGWEMCQASJATI-SKVAFPRGSA-N 0 1 213.321 2.082 20 0 BEADMN CC(C)=CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000798847126 586151204 /nfs/dbraw/zinc/15/12/04/586151204.db2.gz HNHFSGXXPIHWLS-LLVKDONJSA-N 0 1 213.321 2.082 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1CC[C@H](C)C1)N(C)C ZINC000798850253 586151544 /nfs/dbraw/zinc/15/15/44/586151544.db2.gz MESHUIVNRLZWIL-SRVKXCTJSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1CC[C@H](C)C1)N(C)C ZINC000798850251 586151647 /nfs/dbraw/zinc/15/16/47/586151647.db2.gz MESHUIVNRLZWIL-QJPTWQEYSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@@H](C(=O)OCCC1(C)CC1)N(C)C ZINC000798861606 586151785 /nfs/dbraw/zinc/15/17/85/586151785.db2.gz MKFFINWTUTUDDH-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CCN(CCS(C)(=O)=O)C[C@H](C)CC(C)C ZINC000799145071 586162335 /nfs/dbraw/zinc/16/23/35/586162335.db2.gz MBIONWYUYXGUDF-GFCCVEGCSA-N 0 1 249.420 2.035 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(F)c2)C[C@@H]1C ZINC000859325551 589031560 /nfs/dbraw/zinc/03/15/60/589031560.db2.gz XFBGEDLGBJYOMV-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN CS[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859322239 589031804 /nfs/dbraw/zinc/03/18/04/589031804.db2.gz MONFDNAZLHWCHQ-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN CSC1(COC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000799686515 586192155 /nfs/dbraw/zinc/19/21/55/586192155.db2.gz UJUZDVZORJNBFL-JTQLQIEISA-N 0 1 245.388 2.011 20 0 BEADMN FCCN1CCC(N2CCc3ccccc32)CC1 ZINC000800407133 586218142 /nfs/dbraw/zinc/21/81/42/586218142.db2.gz LNPIIOQGTPYQTO-UHFFFAOYSA-N 0 1 248.345 2.483 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H]2CCC=CO2)nn1C ZINC000800490083 586222569 /nfs/dbraw/zinc/22/25/69/586222569.db2.gz HBHJVCVOMRZEAN-VXGBXAGGSA-N 0 1 235.331 2.072 20 0 BEADMN CCCCN(CCSC(C)(C)C)CC(N)=O ZINC000801914157 586276855 /nfs/dbraw/zinc/27/68/55/586276855.db2.gz HAEBRXZDJAHLKE-UHFFFAOYSA-N 0 1 246.420 2.106 20 0 BEADMN C[C@H](N(C)CN1C(=O)[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000839961240 586301470 /nfs/dbraw/zinc/30/14/70/586301470.db2.gz WTDAHJAVSUCZME-TUAOUCFPSA-N 0 1 238.375 2.321 20 0 BEADMN Cc1cc(CC(=O)OCC2CC(C)(C)C2)n[nH]1 ZINC000802294787 586303156 /nfs/dbraw/zinc/30/31/56/586303156.db2.gz NJVJAIZDNYXJRH-UHFFFAOYSA-N 0 1 236.315 2.240 20 0 BEADMN CCC1CCN(CN2C[C@H](C)[C@@H](C)C2=O)CC1 ZINC000839968519 586305779 /nfs/dbraw/zinc/30/57/79/586305779.db2.gz LGHHJYPUXDNHSH-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN CCC[C@@H](C)CN1CCO[C@@H](C(F)F)C1 ZINC000802654797 586308589 /nfs/dbraw/zinc/30/85/89/586308589.db2.gz ZYWIZCLRWOLOCS-NXEZZACHSA-N 0 1 221.291 2.389 20 0 BEADMN CCC1(C)CCN(CN2CC[C@@H](C)C2=O)CC1 ZINC000839984381 586325996 /nfs/dbraw/zinc/32/59/96/586325996.db2.gz LLLIDMNLNCNTKO-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CCCN(CN1CCC(C)(C)C1=O)C1CC1 ZINC000839991755 586333720 /nfs/dbraw/zinc/33/37/20/586333720.db2.gz ROQYJRYBKKCFCP-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN C[C@@H]1CN(CN2CCCC(C)(C)C2)C(=O)[C@H]1C ZINC000839993458 586336016 /nfs/dbraw/zinc/33/60/16/586336016.db2.gz DLTDZIVEQIAWMV-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1C=CCCC1)N(C)C ZINC000803492364 586361037 /nfs/dbraw/zinc/36/10/37/586361037.db2.gz CTIGMBHOEMHGMN-NEPJUHHUSA-N 0 1 225.332 2.225 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2CCCCC2)n[nH]1 ZINC000840003563 586361216 /nfs/dbraw/zinc/36/12/16/586361216.db2.gz MWOPZMMOLJBAIC-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN CC(C)[C@H](C(=O)OCCCCCF)N(C)C ZINC000803492696 586361824 /nfs/dbraw/zinc/36/18/24/586361824.db2.gz GKRKZWOVGKCEJK-LLVKDONJSA-N 0 1 233.327 2.256 20 0 BEADMN CN(CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1)C1CCC1 ZINC000840009238 586366247 /nfs/dbraw/zinc/36/62/47/586366247.db2.gz AFPALLUAHIRYKI-KGLIPLIRSA-N 0 1 248.370 2.075 20 0 BEADMN CN(CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1)C1CCC1 ZINC000840009242 586366332 /nfs/dbraw/zinc/36/63/32/586366332.db2.gz AFPALLUAHIRYKI-ZIAGYGMSSA-N 0 1 248.370 2.075 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2cccs2)n[nH]1 ZINC000840012242 586367203 /nfs/dbraw/zinc/36/72/03/586367203.db2.gz OPDNOGBHYFNNCD-ZCFIWIBFSA-N 0 1 237.284 2.093 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CC(C)(C)C)n[nH]1 ZINC000840011592 586367815 /nfs/dbraw/zinc/36/78/15/586367815.db2.gz KNNLXXBMAQJURK-SSDOTTSWSA-N 0 1 225.292 2.154 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2cccc(C)c2)n[nH]1 ZINC000840020589 586382920 /nfs/dbraw/zinc/38/29/20/586382920.db2.gz SWFOKMYAQCDBSQ-VIFPVBQESA-N 0 1 245.282 2.340 20 0 BEADMN C[C@@H](N(C)CN1C(=O)[C@@H]2CCC[C@@H]21)C1(C)CC1 ZINC000840025422 586384059 /nfs/dbraw/zinc/38/40/59/586384059.db2.gz WYPWHQBCMPLPCG-UTUOFQBUSA-N 0 1 236.359 2.075 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H]2C[C@@H]21 ZINC000804294462 586388108 /nfs/dbraw/zinc/38/81/08/586388108.db2.gz LTGPJDXLLJXGMA-RNCFNFMXSA-N 0 1 241.294 2.187 20 0 BEADMN CCC(=CC(=O)N1CCN(CC)C[C@H]1C)CC ZINC000804380623 586393689 /nfs/dbraw/zinc/39/36/89/586393689.db2.gz WDQYGUZWXWDYCN-GFCCVEGCSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(CC)C[C@H]1C ZINC000804382193 586395013 /nfs/dbraw/zinc/39/50/13/586395013.db2.gz XOMRXDDFIKBLKK-NPRUJURCSA-N 0 1 238.375 2.285 20 0 BEADMN CCN(CCC1CC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840049313 586398306 /nfs/dbraw/zinc/39/83/06/586398306.db2.gz RKMBHOLRBJDYGJ-OLZOCXBDSA-N 0 1 236.359 2.077 20 0 BEADMN Fc1cc(CN(C2CC2)C2CC2)ccn1 ZINC000859626452 589050063 /nfs/dbraw/zinc/05/00/63/589050063.db2.gz JYLDIHYCLFKHDP-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN c1[nH]nnc1CSC1=Nc2ccccc2C1 ZINC000806588821 586415299 /nfs/dbraw/zinc/41/52/99/586415299.db2.gz CTXLLJIVHGBBPA-UHFFFAOYSA-N 0 1 230.296 2.324 20 0 BEADMN CC1=C[C@@H](C)CN(CN2CCC(C)(C)C2=O)C1 ZINC000840067524 586415637 /nfs/dbraw/zinc/41/56/37/586415637.db2.gz WVABNTYEMJYOTG-LLVKDONJSA-N 0 1 236.359 2.100 20 0 BEADMN CC(C)[C@H](N)c1noc(COC2CCCC2)n1 ZINC000843148835 586448462 /nfs/dbraw/zinc/44/84/62/586448462.db2.gz XYCUVVSUCOCSBV-NSHDSACASA-N 0 1 239.319 2.185 20 0 BEADMN CC(C)(Cc1ccccc1)C(=O)Nc1c[nH]nn1 ZINC000807923963 586452165 /nfs/dbraw/zinc/45/21/65/586452165.db2.gz ZWQYGPKNIXTMGD-UHFFFAOYSA-N 0 1 244.298 2.012 20 0 BEADMN CC(C)CCN(C)CN1CC(C)(C)CC1=O ZINC000808146301 586464501 /nfs/dbraw/zinc/46/45/01/586464501.db2.gz UUVBTDRNTRPQPN-UHFFFAOYSA-N 0 1 226.364 2.180 20 0 BEADMN CC(C)=CCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000808539269 586478446 /nfs/dbraw/zinc/47/84/46/586478446.db2.gz YLUGMXVYQHUQEA-UHFFFAOYSA-N 0 1 248.326 2.340 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@@H](O)C(C)(C)C ZINC000808708186 586483274 /nfs/dbraw/zinc/48/32/74/586483274.db2.gz CXALYXMQMPUFGM-GFCCVEGCSA-N 0 1 240.347 2.130 20 0 BEADMN CC[C@@H]1C[N@@H+](CCC(=O)C(C)C)C[C@H](C)O1 ZINC000808725917 586484660 /nfs/dbraw/zinc/48/46/60/586484660.db2.gz KLANVKUWUUXYPR-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)C[C@H](C)O1 ZINC000808725917 586484661 /nfs/dbraw/zinc/48/46/61/586484661.db2.gz KLANVKUWUUXYPR-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000808744907 586486669 /nfs/dbraw/zinc/48/66/69/586486669.db2.gz FGAGFMBOPMCVTG-GHMZBOCLSA-N 0 1 215.312 2.282 20 0 BEADMN CN(CN1CC(C)(C)CC1=O)C1CC(C)(C)C1 ZINC000840163614 586501599 /nfs/dbraw/zinc/50/15/99/586501599.db2.gz JGJGMUZRNJTMDO-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN CN(CN1C(=O)CCC1(C)C)C1CC(C)(C)C1 ZINC000840164821 586502229 /nfs/dbraw/zinc/50/22/29/586502229.db2.gz VQZOZBNEKWTLQO-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cnc([C@H](C)O)s1 ZINC000809601964 586509063 /nfs/dbraw/zinc/50/90/63/586509063.db2.gz GRJXPNDWQTUJJW-ONGXEEELSA-N 0 1 240.372 2.427 20 0 BEADMN Cc1nonc1CNC[C@@H](C)Cc1ccccc1 ZINC000809744094 586516834 /nfs/dbraw/zinc/51/68/34/586516834.db2.gz VBOXFDSUEICPSV-NSHDSACASA-N 0 1 245.326 2.346 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)n2)[C@@H]2CCCC[C@@H]12 ZINC000809935063 586524361 /nfs/dbraw/zinc/52/43/61/586524361.db2.gz HUNCYGNHMXLVBV-KWCYVHTRSA-N 0 1 248.374 2.216 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1Cc1cnn(C)n1 ZINC000809948250 586525581 /nfs/dbraw/zinc/52/55/81/586525581.db2.gz BDDPCOANOPBUNN-DGCLKSJQSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1cnn(C)n1 ZINC000809954860 586526188 /nfs/dbraw/zinc/52/61/88/586526188.db2.gz IIWNWGRHFPWRLJ-ZDUSSCGKSA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1cnn(C)n1 ZINC000809964046 586526764 /nfs/dbraw/zinc/52/67/64/586526764.db2.gz DIJXASVJNWKZCP-CYBMUJFWSA-N 0 1 236.363 2.216 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1Cc1cnn(C)n1 ZINC000809963829 586526841 /nfs/dbraw/zinc/52/68/41/586526841.db2.gz DAGSKIDLCDLWPS-AAEUAGOBSA-N 0 1 236.363 2.216 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnn(C)n1 ZINC000809963831 586526851 /nfs/dbraw/zinc/52/68/51/586526851.db2.gz DAGSKIDLCDLWPS-WCQYABFASA-N 0 1 236.363 2.216 20 0 BEADMN FCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810047768 586532591 /nfs/dbraw/zinc/53/25/91/586532591.db2.gz JZFPFDGCCBXKES-CQSZACIVSA-N 0 1 235.302 2.426 20 0 BEADMN COCc1ccc(NCc2[nH]ncc2C)cc1 ZINC000810154998 586535937 /nfs/dbraw/zinc/53/59/37/586535937.db2.gz JPZZGOUJXHFTDU-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C)Cc2cnccn2)no1 ZINC000810214059 586537058 /nfs/dbraw/zinc/53/70/58/586537058.db2.gz MVQZUDJBTZYQCU-MWLCHTKSSA-N 0 1 246.314 2.055 20 0 BEADMN C/C(=C\C(=O)O[C@@H](C)c1n[nH]c(C)n1)C1CC1 ZINC000840213255 586548818 /nfs/dbraw/zinc/54/88/18/586548818.db2.gz BXEDHKBLPMIGEV-CZEYKFRCSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC000840226580 586556052 /nfs/dbraw/zinc/55/60/52/586556052.db2.gz YNALBONUPVFGPH-YUMQZZPRSA-N 0 1 237.303 2.154 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC000840226574 586556192 /nfs/dbraw/zinc/55/61/92/586556192.db2.gz YNALBONUPVFGPH-HTQZYQBOSA-N 0 1 237.303 2.154 20 0 BEADMN CCN(CCc1ccccn1)Cc1n[nH]cc1C ZINC000811458715 586559123 /nfs/dbraw/zinc/55/91/23/586559123.db2.gz XDEIFVFGCZNHAU-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@H](c2ccccn2)C1 ZINC000811500500 586560106 /nfs/dbraw/zinc/56/01/06/586560106.db2.gz FLBHHUIMWJVGLP-GFCCVEGCSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)c2ccco2)n[nH]1 ZINC000840231465 586560237 /nfs/dbraw/zinc/56/02/37/586560237.db2.gz DJQRBBDEKLVMDR-YUMQZZPRSA-N 0 1 249.270 2.114 20 0 BEADMN CCc1cc(CNC(=O)CCCC2CC2)n[nH]1 ZINC000812508289 586578455 /nfs/dbraw/zinc/57/84/55/586578455.db2.gz UTUCXZUHFCZSFU-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN Cc1nc(F)ccc1CN1CC(C2CC2)C1 ZINC000812775996 586583956 /nfs/dbraw/zinc/58/39/56/586583956.db2.gz QHUMZXNCXOBHND-UHFFFAOYSA-N 0 1 220.291 2.371 20 0 BEADMN C[C@H](C(=O)NOC1CCC1)c1cccs1 ZINC000812788811 586584705 /nfs/dbraw/zinc/58/47/05/586584705.db2.gz BJGURSIEYLZWMN-QMMMGPOBSA-N 0 1 225.313 2.452 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C2/CC[C@H](C)C2)n[nH]1 ZINC000840275498 586589139 /nfs/dbraw/zinc/58/91/39/586589139.db2.gz XQBGYYUWLHAHJP-AYKAQRMPSA-N 0 1 249.314 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC000840275500 586589200 /nfs/dbraw/zinc/58/92/00/586589200.db2.gz XQBGYYUWLHAHJP-GVKBMILNSA-N 0 1 249.314 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C2\CC[C@@H](C)C2)n[nH]1 ZINC000840275501 586589279 /nfs/dbraw/zinc/58/92/79/586589279.db2.gz XQBGYYUWLHAHJP-RENQFVIFSA-N 0 1 249.314 2.464 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C[C@H]2C=CCC2)n1 ZINC000813899656 586608890 /nfs/dbraw/zinc/60/88/90/586608890.db2.gz IDZLAWBQAJQWGA-JTQLQIEISA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC000813899656 586608891 /nfs/dbraw/zinc/60/88/91/586608891.db2.gz IDZLAWBQAJQWGA-JTQLQIEISA-N 0 1 249.314 2.328 20 0 BEADMN C[N@H+]1C[C@H]2CCN(C(=O)C=C3CCCCC3)[C@H]2C1 ZINC000814145596 586614869 /nfs/dbraw/zinc/61/48/69/586614869.db2.gz OGFJPQGDZWPYDQ-KGLIPLIRSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)/C=C/C2CC2)[nH]1 ZINC000814457026 586622226 /nfs/dbraw/zinc/62/22/26/586622226.db2.gz SEIJHLQLXQHWDI-VOTSOKGWSA-N 0 1 249.314 2.112 20 0 BEADMN CC(C)(C)c1nc(COC(=O)/C=C/C2CC2)n[nH]1 ZINC000814457026 586622227 /nfs/dbraw/zinc/62/22/27/586622227.db2.gz SEIJHLQLXQHWDI-VOTSOKGWSA-N 0 1 249.314 2.112 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)C2=CCCC2)[nH]1 ZINC000814460191 586622238 /nfs/dbraw/zinc/62/22/38/586622238.db2.gz SLOCACBDTGKJOD-UHFFFAOYSA-N 0 1 249.314 2.256 20 0 BEADMN CC(C)(C)c1nc(COC(=O)C2=CCCC2)n[nH]1 ZINC000814460191 586622239 /nfs/dbraw/zinc/62/22/39/586622239.db2.gz SLOCACBDTGKJOD-UHFFFAOYSA-N 0 1 249.314 2.256 20 0 BEADMN CSCSc1nc(-c2ccccn2)n[nH]1 ZINC000814751998 586631977 /nfs/dbraw/zinc/63/19/77/586631977.db2.gz WUZHMIPCGHEVEO-UHFFFAOYSA-N 0 1 238.341 2.279 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)[C@H]1C ZINC000815163392 586671687 /nfs/dbraw/zinc/67/16/87/586671687.db2.gz QHVVPBRBYNZBRF-ZDMBXUJBSA-N 0 1 241.281 2.338 20 0 BEADMN CC(C)n1nccc1CN1C[C@@H](C)[C@H]1C ZINC000815162039 586671890 /nfs/dbraw/zinc/67/18/90/586671890.db2.gz ATVQDTUYFQUKJU-GHMZBOCLSA-N 0 1 207.321 2.304 20 0 BEADMN Cc1cc(F)ccc1[C@@H](C)NCc1cnnn1C ZINC000815626564 586689084 /nfs/dbraw/zinc/68/90/84/586689084.db2.gz HEFUOXGDXNMAOY-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1cocc1C(=O)OCCN1CCCCC1 ZINC000859781631 589060596 /nfs/dbraw/zinc/06/05/96/589060596.db2.gz KDLJQUSYTMBERV-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN CC[C@@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816495531 586736934 /nfs/dbraw/zinc/73/69/34/586736934.db2.gz YYXXXIMPSLLYRU-SNVBAGLBSA-N 0 1 227.739 2.448 20 0 BEADMN Cn1ncc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1Cl ZINC000816514832 586738409 /nfs/dbraw/zinc/73/84/09/586738409.db2.gz IUCUPIORDWEACR-AOOOYVTPSA-N 0 1 239.750 2.161 20 0 BEADMN Cn1ncc(CN2CC[C@H](C3CC3)C2)c1Cl ZINC000816516638 586738426 /nfs/dbraw/zinc/73/84/26/586738426.db2.gz LTNNKTFTMBXGIZ-JTQLQIEISA-N 0 1 239.750 2.305 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)oc1C ZINC000816637249 586746123 /nfs/dbraw/zinc/74/61/23/586746123.db2.gz XWHAXTQZPTVHEQ-GFCCVEGCSA-N 0 1 209.289 2.117 20 0 BEADMN Cc1cccc2ncc(CN3C[C@@H](C)[C@H]3C)n21 ZINC000816646336 586747942 /nfs/dbraw/zinc/74/79/42/586747942.db2.gz CACXIWTUJJGAMD-ZYHUDNBSSA-N 0 1 229.327 2.483 20 0 BEADMN c1cc(CN2CCC3(CC2)OCCCO3)co1 ZINC000816645687 586748014 /nfs/dbraw/zinc/74/80/14/586748014.db2.gz FZOPMAGTTIARPK-UHFFFAOYSA-N 0 1 237.299 2.009 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H](C)[C@H]1C ZINC000816646606 586749125 /nfs/dbraw/zinc/74/91/25/586749125.db2.gz GJAOSUBHOIDDFS-PSASIEDQSA-N 0 1 208.280 2.369 20 0 BEADMN Cc1cc(C)n2c(CN3C[C@H](C)[C@@H]3C)cnc2n1 ZINC000816647675 586750851 /nfs/dbraw/zinc/75/08/51/586750851.db2.gz WRZTXYAJCPIFJH-CABZTGNLSA-N 0 1 244.342 2.186 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)[C@H]2C)o1 ZINC000816647942 586750858 /nfs/dbraw/zinc/75/08/58/586750858.db2.gz AZLMTPMKFJSYRN-NXEZZACHSA-N 0 1 209.289 2.266 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@@H]1CC1(Cl)Cl ZINC000816978755 586777602 /nfs/dbraw/zinc/77/76/02/586777602.db2.gz APMKDFAYLFDQNK-RQJHMYQMSA-N 0 1 240.130 2.274 20 0 BEADMN CCCN(C)CN1CCC(CC)(CC)C1=O ZINC000817360297 586798818 /nfs/dbraw/zinc/79/88/18/586798818.db2.gz ODAURDIOMPLVHB-UHFFFAOYSA-N 0 1 226.364 2.324 20 0 BEADMN CCC1(CC)CCN(CN2CCC[C@@H]2C)C1=O ZINC000817360406 586799138 /nfs/dbraw/zinc/79/91/38/586799138.db2.gz OIMBIQMKYWDVSI-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN CCC1(CC)CCN(CN(C)CC2CC2)C1=O ZINC000817360512 586799218 /nfs/dbraw/zinc/79/92/18/586799218.db2.gz QKFUSPILEXQTQH-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000817533368 586809887 /nfs/dbraw/zinc/80/98/87/586809887.db2.gz KBKUFOFHPVAZOS-AXFHLTTASA-N 0 1 247.342 2.025 20 0 BEADMN C/C=C(/C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000818011706 586864139 /nfs/dbraw/zinc/86/41/39/586864139.db2.gz MECUKZNACBPKJO-BOTKQDERSA-N 0 1 244.338 2.126 20 0 BEADMN Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)[O-])n1 ZINC000818944236 586916505 /nfs/dbraw/zinc/91/65/05/586916505.db2.gz JJRFKUXRAFOYSZ-LBPRGKRZSA-N 0 1 234.299 2.002 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)C=C1CCCC1 ZINC000818978296 586919243 /nfs/dbraw/zinc/91/92/43/586919243.db2.gz UMNHEMHMWDNACJ-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN Cn1cccc1[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000819072432 586928975 /nfs/dbraw/zinc/92/89/75/586928975.db2.gz SDLWPFYVKLMBHS-LBPRGKRZSA-N 0 1 236.315 2.027 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000819276922 586946424 /nfs/dbraw/zinc/94/64/24/586946424.db2.gz VRHFOAWKTIVREA-GWCFXTLKSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCCC[C@H]2C)n[nH]1 ZINC000819276924 586946502 /nfs/dbraw/zinc/94/65/02/586946502.db2.gz VRHFOAWKTIVREA-MFKMUULPSA-N 0 1 249.358 2.415 20 0 BEADMN Cc1ncc(CNC[C@H](O)c2ccccc2C)o1 ZINC000819363119 586956786 /nfs/dbraw/zinc/95/67/86/586956786.db2.gz DXBYLHVMCGEORH-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)[O-] ZINC000819726847 586988138 /nfs/dbraw/zinc/98/81/38/586988138.db2.gz UCYXEPXSURYNBM-FLIBITNWSA-N 0 1 219.284 2.106 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCCC3(CC3)CC2)n1 ZINC000860072741 589079516 /nfs/dbraw/zinc/07/95/16/589079516.db2.gz GIFGUWZVZIFVBG-UHFFFAOYSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CCCC3(CC3)CC2)n1 ZINC000860072741 589079518 /nfs/dbraw/zinc/07/95/18/589079518.db2.gz GIFGUWZVZIFVBG-UHFFFAOYSA-N 0 1 247.342 2.257 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CF)cc1 ZINC000819895210 587000613 /nfs/dbraw/zinc/00/06/13/587000613.db2.gz COGYNAIVFJWESR-VIFPVBQESA-N 0 1 225.263 2.061 20 0 BEADMN CC(C)[N@@H+](CCC(=O)c1ccccc1)CC(=O)[O-] ZINC000820019848 587013941 /nfs/dbraw/zinc/01/39/41/587013941.db2.gz MHVHAWXRTKTBPL-UHFFFAOYSA-N 0 1 249.310 2.054 20 0 BEADMN CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)[O-])s1 ZINC000820061637 587016261 /nfs/dbraw/zinc/01/62/61/587016261.db2.gz MWQHCIZBCZIYNA-QMMMGPOBSA-N 0 1 242.344 2.171 20 0 BEADMN CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)[O-])s1 ZINC000820061637 587016265 /nfs/dbraw/zinc/01/62/65/587016265.db2.gz MWQHCIZBCZIYNA-QMMMGPOBSA-N 0 1 242.344 2.171 20 0 BEADMN O=C(/C=C/C1CC1)Nc1n[nH]c2cc(O)ccc21 ZINC000820218241 587035780 /nfs/dbraw/zinc/03/57/80/587035780.db2.gz INZXPVDIQKWDFW-ZZXKWVIFSA-N 0 1 243.266 2.173 20 0 BEADMN C[C@H]1CCC[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000820252887 587038649 /nfs/dbraw/zinc/03/86/49/587038649.db2.gz JUUAGWDDJYBBQI-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](c1ccncc1)[N@@H+](C)CCCC(=O)[O-] ZINC000820285021 587040679 /nfs/dbraw/zinc/04/06/79/587040679.db2.gz LNTUTTIOKXLLAW-GFCCVEGCSA-N 0 1 236.315 2.329 20 0 BEADMN C[C@@]1(C(=O)NOCCC2CC2)C=CCC1 ZINC000820484956 587051156 /nfs/dbraw/zinc/05/11/56/587051156.db2.gz RYOCMILWOFIXGC-GFCCVEGCSA-N 0 1 209.289 2.191 20 0 BEADMN C[C@@H](F)CCNC(=O)c1cc(F)cc(F)c1O ZINC000820631629 587060057 /nfs/dbraw/zinc/06/00/57/587060057.db2.gz RHGTZDGPADZFRF-ZCFIWIBFSA-N 0 1 247.216 2.148 20 0 BEADMN COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)[O-])[C@@H]2C ZINC000820853578 587077309 /nfs/dbraw/zinc/07/73/09/587077309.db2.gz MHJQJKOVTFFVDY-VHSXEESVSA-N 0 1 249.310 2.087 20 0 BEADMN COc1ccccc1/C=C\C[N@@H+](C)CCC(=O)[O-] ZINC000820876605 587079092 /nfs/dbraw/zinc/07/90/92/587079092.db2.gz RZVPPQBUZJNSAJ-ALCCZGGFSA-N 0 1 249.310 2.115 20 0 BEADMN CCCCC[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000820924370 587081930 /nfs/dbraw/zinc/08/19/30/587081930.db2.gz AVTTVFOPRIQPLJ-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000821105672 587095895 /nfs/dbraw/zinc/09/58/95/587095895.db2.gz DBFCNZWGWDMSSY-QWRGUYRKSA-N 0 1 249.358 2.210 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000840411622 587099697 /nfs/dbraw/zinc/09/96/97/587099697.db2.gz LWDWNOHNSRHYNH-KHQFGBGNSA-N 0 1 237.303 2.154 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)CC1(C)C ZINC000821453220 587120891 /nfs/dbraw/zinc/12/08/91/587120891.db2.gz MXVFLBDNUXHTOI-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000821510314 587122120 /nfs/dbraw/zinc/12/21/20/587122120.db2.gz AISKHCJFPIGTDL-ZETCQYMHSA-N 0 1 245.731 2.308 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000821527869 587126067 /nfs/dbraw/zinc/12/60/67/587126067.db2.gz NLHJSIFLLCBZMV-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])c1cccc(C[NH2+]Cc2cscn2)c1 ZINC000821552674 587127783 /nfs/dbraw/zinc/12/77/83/587127783.db2.gz OVULVLWKVRZLPA-UHFFFAOYSA-N 0 1 248.307 2.131 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CN2CCCC2)C[C@@H]1C ZINC000821911699 587146248 /nfs/dbraw/zinc/14/62/48/587146248.db2.gz BTUDWBGKZHMVNH-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C(=O)OC[C@@]1(C)C[C@@H]1F)N(CC)CC ZINC000822131109 587155387 /nfs/dbraw/zinc/15/53/87/587155387.db2.gz SQDNRPGKDOFISM-NTZNESFSSA-N 0 1 245.338 2.398 20 0 BEADMN CC[C@H](C(=O)OC[C@]1(C)C[C@@H]1F)N(CC)CC ZINC000822131107 587155579 /nfs/dbraw/zinc/15/55/79/587155579.db2.gz SQDNRPGKDOFISM-MDZLAQPJSA-N 0 1 245.338 2.398 20 0 BEADMN C[C@]1(COC(=O)c2ccc3cncn3c2)C[C@@H]1F ZINC000822138531 587156299 /nfs/dbraw/zinc/15/62/99/587156299.db2.gz MGPARODNBMNTHF-WCQYABFASA-N 0 1 248.257 2.239 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000840473166 587180948 /nfs/dbraw/zinc/18/09/48/587180948.db2.gz RCGUAKITSBOMIS-ONGXEEELSA-N 0 1 249.314 2.464 20 0 BEADMN CCC[C@@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822770632 587185017 /nfs/dbraw/zinc/18/50/17/587185017.db2.gz GYRCJXKXQVXAJM-KYXWUPHJSA-N 0 1 221.304 2.396 20 0 BEADMN CCC(CC)c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822798162 587186834 /nfs/dbraw/zinc/18/68/34/587186834.db2.gz QMHKJPBWHDYIAF-BBBLOLIVSA-N 0 1 221.304 2.396 20 0 BEADMN CC[C@@H]1CN(C)CCN1C/C(Cl)=C\Cl ZINC000823195444 587207937 /nfs/dbraw/zinc/20/79/37/587207937.db2.gz YDTOWTMGQMTNMB-OLKPEBQYSA-N 0 1 237.174 2.331 20 0 BEADMN CC[C@@H]1CN(C)CCN1C/C(Cl)=C/Cl ZINC000823195442 587208198 /nfs/dbraw/zinc/20/81/98/587208198.db2.gz YDTOWTMGQMTNMB-ABRRARGCSA-N 0 1 237.174 2.331 20 0 BEADMN CC(C)ONC(=O)Cc1csc(C2CC2)n1 ZINC000823303390 587214859 /nfs/dbraw/zinc/21/48/59/587214859.db2.gz ZNXIXPMCTMGDFY-UHFFFAOYSA-N 0 1 240.328 2.019 20 0 BEADMN CCn1nc(C)c(CN(C)C2CCCCC2)n1 ZINC000823379529 587218817 /nfs/dbraw/zinc/21/88/17/587218817.db2.gz QZTOTQOXQRKTMN-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN CCn1nc(C)c(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000823404019 587220403 /nfs/dbraw/zinc/22/04/03/587220403.db2.gz JLJYCCKFFONNIK-LLVKDONJSA-N 0 1 248.374 2.369 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000823418096 587220809 /nfs/dbraw/zinc/22/08/09/587220809.db2.gz BVFOKIKHEDSRSY-GXTWGEPZSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H](C)CC2)n1 ZINC000823424030 587221101 /nfs/dbraw/zinc/22/11/01/587221101.db2.gz RIGSOENWPYMBRP-NSHDSACASA-N 0 1 236.363 2.228 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@]1(C)C=CCC1 ZINC000823635317 587233941 /nfs/dbraw/zinc/23/39/41/587233941.db2.gz WUFVHVAXMPKRID-ZDUSSCGKSA-N 0 1 233.315 2.033 20 0 BEADMN CCC[C@](C)(CO)NCc1cc(F)ncc1F ZINC000823867099 587244796 /nfs/dbraw/zinc/24/47/96/587244796.db2.gz ZFQLMKUOPJARHG-GFCCVEGCSA-N 0 1 244.285 2.001 20 0 BEADMN CC[C@H](COC)NCc1ccnc(Cl)c1F ZINC000823922487 587246048 /nfs/dbraw/zinc/24/60/48/587246048.db2.gz OCRZTOSWGQQLIG-SECBINFHSA-N 0 1 246.713 2.389 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000824038676 587250801 /nfs/dbraw/zinc/25/08/01/587250801.db2.gz IVBRIRNKIAAUBO-LLVKDONJSA-N 0 1 226.320 2.027 20 0 BEADMN CC/C(C)=C\C(=O)N(C)Cc1cn[nH]c1C ZINC000824057802 587251133 /nfs/dbraw/zinc/25/11/33/587251133.db2.gz XBJZCMVKAIJLAJ-TWGQIWQCSA-N 0 1 221.304 2.033 20 0 BEADMN CCC/C(C)=C/C(=O)N(C)Cc1cn[nH]c1C ZINC000824051063 587251697 /nfs/dbraw/zinc/25/16/97/587251697.db2.gz PMOPUGGFSKEPPE-JXMROGBWSA-N 0 1 235.331 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C(F)=C1CCC1 ZINC000824055959 587252248 /nfs/dbraw/zinc/25/22/48/587252248.db2.gz GFTNWQLEUIOLAG-UHFFFAOYSA-N 0 1 237.278 2.084 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000824064137 587253223 /nfs/dbraw/zinc/25/32/23/587253223.db2.gz VLDQXIMVPUFZMH-JSGCOSHPSA-N 0 1 247.342 2.257 20 0 BEADMN CC(C)CC[N@@H+](C)C1CCN(C(=O)[O-])CC1 ZINC000824239611 587262414 /nfs/dbraw/zinc/26/24/14/587262414.db2.gz XFUNQYRFGPCBOY-UHFFFAOYSA-N 0 1 228.336 2.107 20 0 BEADMN CC(C)C[N@@H+](C)CC[C@H](NC(=O)[O-])C(C)C ZINC000824251600 587263247 /nfs/dbraw/zinc/26/32/47/587263247.db2.gz LIRUTCZIAJEFPT-NSHDSACASA-N 0 1 230.352 2.257 20 0 BEADMN CC[C@@]1(NCc2cc(F)ncc2F)CCOC1 ZINC000824282036 587264591 /nfs/dbraw/zinc/26/45/91/587264591.db2.gz OUVUZYOTDMTCIE-GFCCVEGCSA-N 0 1 242.269 2.019 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC23CCCC3)n1 ZINC000824287472 587264886 /nfs/dbraw/zinc/26/48/86/587264886.db2.gz RLXPRUGLFOOACX-GFCCVEGCSA-N 0 1 234.347 2.029 20 0 BEADMN Cc1cc(C)cc(CNC(=O)CN2CCCC2)c1 ZINC000824489811 587272014 /nfs/dbraw/zinc/27/20/14/587272014.db2.gz DDTBMQCJJLRBPR-UHFFFAOYSA-N 0 1 246.354 2.015 20 0 BEADMN CC(C)(C)OC1CC(N[C@H]2CCn3ccnc32)C1 ZINC000824526361 587273265 /nfs/dbraw/zinc/27/32/65/587273265.db2.gz JXHZLDRIBRZFEF-MCIGGMRASA-N 0 1 249.358 2.264 20 0 BEADMN Fc1ccc(CN2CC[C@@H]2C2CC2)cn1 ZINC000824650678 587280569 /nfs/dbraw/zinc/28/05/69/587280569.db2.gz OUDOIMIAGZMDDA-LLVKDONJSA-N 0 1 206.264 2.205 20 0 BEADMN C[C@]1(CNCc2cc[nH]n2)CC1(Cl)Cl ZINC000824765506 587286633 /nfs/dbraw/zinc/28/66/33/587286633.db2.gz MNWRUVVILMBXOP-MRVPVSSYSA-N 0 1 234.130 2.083 20 0 BEADMN CCc1nc(CNC2CC(C(F)F)C2)co1 ZINC000825058111 587301343 /nfs/dbraw/zinc/30/13/43/587301343.db2.gz SFPMKWVPENVWTL-UHFFFAOYSA-N 0 1 230.258 2.370 20 0 BEADMN CCc1nc(CN[C@H]2CCC[C@H](OC)C2)co1 ZINC000825062377 587301462 /nfs/dbraw/zinc/30/14/62/587301462.db2.gz UBZNBKOJIGSSRQ-JQWIXIFHSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC000825194281 587309367 /nfs/dbraw/zinc/30/93/67/587309367.db2.gz NOTMSNDMBXBYBP-PWSUYJOCSA-N 0 1 240.347 2.297 20 0 BEADMN CC[C@@H](NC(=O)c1cccc(F)c1O)C1CC1 ZINC000825376768 587317630 /nfs/dbraw/zinc/31/76/30/587317630.db2.gz VJRZIZVKBOQZCX-LLVKDONJSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cccc(CONC(=O)[C@]2(C)C=CCC2)n1 ZINC000825571882 587325864 /nfs/dbraw/zinc/32/58/64/587325864.db2.gz AOYNJUHCLIWVPS-CQSZACIVSA-N 0 1 246.310 2.294 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@@H]2C[C@@H]2C1 ZINC000825605726 587326896 /nfs/dbraw/zinc/32/68/96/587326896.db2.gz NNEGMHYJMNBISN-RKDXNWHRSA-N 0 1 235.258 2.013 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCCCC1CC1 ZINC000825662238 587330100 /nfs/dbraw/zinc/33/01/00/587330100.db2.gz SYRYACWQXCYOBT-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN C/C(=C/C[N@@H+](C1CC1)C1CCCC1)C(=O)[O-] ZINC000825729614 587334506 /nfs/dbraw/zinc/33/45/06/587334506.db2.gz IFEQNSCMGDBNAP-NTMALXAHSA-N 0 1 223.316 2.424 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccco1)C(=O)[O-] ZINC000825742110 587335443 /nfs/dbraw/zinc/33/54/43/587335443.db2.gz VZSXLAISLSBVPL-YAEJEKNGSA-N 0 1 235.283 2.447 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000825742109 587335699 /nfs/dbraw/zinc/33/56/99/587335699.db2.gz VZSXLAISLSBVPL-SDKXAQGSSA-N 0 1 235.283 2.447 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742012 587335783 /nfs/dbraw/zinc/33/57/83/587335783.db2.gz VCMXFJAOBFCJTG-JXPAYYINSA-N 0 1 234.299 2.183 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736219 587335826 /nfs/dbraw/zinc/33/58/26/587335826.db2.gz WJBLDFYAXXBFPE-WEKMIXOTSA-N 0 1 245.322 2.334 20 0 BEADMN C/C(=C\C[N@H+]1CCc2c(C)cccc2C1)C(=O)[O-] ZINC000825747213 587336209 /nfs/dbraw/zinc/33/62/09/587336209.db2.gz QTEHJXBBOKGVGU-WUXMJOGZSA-N 0 1 245.322 2.384 20 0 BEADMN CC(C(=O)N1CCN(C2CCC2)CC1)=C1CCC1 ZINC000825909911 587345411 /nfs/dbraw/zinc/34/54/11/587345411.db2.gz MDRGZUNYBKAVJV-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN COc1cncc(CN2CC[C@@H]2C2CC2)c1 ZINC000826043685 587349229 /nfs/dbraw/zinc/34/92/29/587349229.db2.gz OISVJMNVBOKSNM-CYBMUJFWSA-N 0 1 218.300 2.075 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000826128034 587351162 /nfs/dbraw/zinc/35/11/62/587351162.db2.gz AICOJEXTJNDPPH-SRXBQZRASA-N 0 1 238.375 2.141 20 0 BEADMN COC(=O)c1cc(CN[C@@H]2C=CCC2)c(C)o1 ZINC000826940561 587366323 /nfs/dbraw/zinc/36/63/23/587366323.db2.gz DHOUSKQGXPGYOT-LLVKDONJSA-N 0 1 235.283 2.183 20 0 BEADMN Fc1cc(CN[C@H]2C=CCC2)c(F)cn1 ZINC000826942176 587366417 /nfs/dbraw/zinc/36/64/17/587366417.db2.gz NQJUDSXAPRFIQG-VIFPVBQESA-N 0 1 210.227 2.168 20 0 BEADMN c1ncc(CN2CCC(C3CCC3)CC2)cn1 ZINC000826948174 587366517 /nfs/dbraw/zinc/36/65/17/587366517.db2.gz WVAXJDJWWMCEMF-UHFFFAOYSA-N 0 1 231.343 2.489 20 0 BEADMN O=C(NCC1CC=CC1)c1cccc(F)c1O ZINC000827078050 587369577 /nfs/dbraw/zinc/36/95/77/587369577.db2.gz KCGSTGTZYBZIIW-UHFFFAOYSA-N 0 1 235.258 2.227 20 0 BEADMN CC[N@@H+](CCNC(=O)[O-])Cc1ccc(C)cc1 ZINC000827145754 587371145 /nfs/dbraw/zinc/37/11/45/587371145.db2.gz DXYWNZCNMYXJIB-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN C[S@](=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000827406437 587380130 /nfs/dbraw/zinc/38/01/30/587380130.db2.gz LBZJSWACUBDANN-ABAIWWIYSA-N 0 1 243.397 2.264 20 0 BEADMN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)no1 ZINC000827511526 587385208 /nfs/dbraw/zinc/38/52/08/587385208.db2.gz VYOSWJCTJNFNKL-VIFPVBQESA-N 0 1 230.258 2.364 20 0 BEADMN CN(Cc1cc(Cl)cs1)C1(CO)CC1 ZINC000827904213 587409556 /nfs/dbraw/zinc/40/95/56/587409556.db2.gz WKTBRTQNTYVIBB-UHFFFAOYSA-N 0 1 231.748 2.358 20 0 BEADMN C[N@@H+](CC1CCC1)C1CCC(NC(=O)[O-])CC1 ZINC000828170071 587423142 /nfs/dbraw/zinc/42/31/42/587423142.db2.gz RDGXTNYEFUPPBY-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CC(C(=O)N1C[C@@H](C)N(C)C[C@H]1C)=C1CCC1 ZINC000828248867 587427722 /nfs/dbraw/zinc/42/77/22/587427722.db2.gz QHMFAIJWHNHJJV-GHMZBOCLSA-N 0 1 236.359 2.038 20 0 BEADMN C/C=C\C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000828373664 587438780 /nfs/dbraw/zinc/43/87/80/587438780.db2.gz YCNZQVBNMXRXQA-ARJAWSKDSA-N 0 1 233.315 2.000 20 0 BEADMN CC(C)CC(=O)CCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000828389084 587439189 /nfs/dbraw/zinc/43/91/89/587439189.db2.gz DPYXDBLGZUFQPU-YNEHKIRRSA-N 0 1 241.375 2.489 20 0 BEADMN CCN1CCN(CCC(=O)CC(C)C)[C@@H](C)C1 ZINC000828525080 587446424 /nfs/dbraw/zinc/44/64/24/587446424.db2.gz JJSGNOHJEDHNBR-ZDUSSCGKSA-N 0 1 240.391 2.018 20 0 BEADMN Cc1nn(C)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000828529109 587447964 /nfs/dbraw/zinc/44/79/64/587447964.db2.gz HEUCTITYAKKAEI-SNVBAGLBSA-N 0 1 247.264 2.113 20 0 BEADMN C[C@H]1CCC[C@H](C2CN(C(=O)c3cnc[nH]3)C2)C1 ZINC000829129411 587483683 /nfs/dbraw/zinc/48/36/83/587483683.db2.gz IERBCPXAFIANLV-QWRGUYRKSA-N 0 1 247.342 2.308 20 0 BEADMN CCCCC1(C(=O)NC[C@@H]2CCN2CC)CC1 ZINC000829449908 587498281 /nfs/dbraw/zinc/49/82/81/587498281.db2.gz IZSLQKQLBJIIQT-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc2[nH]ccc21 ZINC000829475791 587499822 /nfs/dbraw/zinc/49/98/22/587499822.db2.gz DBGRWKBYDNNAAL-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN C[S@@](=O)CCN1CCC=C(c2ccccc2)C1 ZINC000829541769 587502804 /nfs/dbraw/zinc/50/28/04/587502804.db2.gz CPZSKFBSCAXKKP-QGZVFWFLSA-N 0 1 249.379 2.154 20 0 BEADMN Cc1nc(COC(=O)[C@@H]2CCC(C)=C(C)C2)n[nH]1 ZINC000829815734 587519388 /nfs/dbraw/zinc/51/93/88/587519388.db2.gz SHUDPYFWNSFUMO-LLVKDONJSA-N 0 1 249.314 2.293 20 0 BEADMN c1csc(CCN(C2CC2)C2COC2)c1 ZINC000830227435 587542718 /nfs/dbraw/zinc/54/27/18/587542718.db2.gz JUIYTJGSUCCLRZ-UHFFFAOYSA-N 0 1 223.341 2.154 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830573196 587559036 /nfs/dbraw/zinc/55/90/36/587559036.db2.gz DOTSCSYMWQSIER-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN CCN(CCSC)Cc1cnoc1C ZINC000830999433 587581840 /nfs/dbraw/zinc/58/18/40/587581840.db2.gz KXKPBQCMHWSZFB-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)OC2CCCC2)CCN1C ZINC000831020847 587582694 /nfs/dbraw/zinc/58/26/94/587582694.db2.gz WNSLCOBVQDWSCM-MNOVXSKESA-N 0 1 240.347 2.090 20 0 BEADMN Cc1nnc(CN2CCCCCCCC2)[nH]1 ZINC000831936846 587637340 /nfs/dbraw/zinc/63/73/40/587637340.db2.gz IOUDSHLUVXRCGT-UHFFFAOYSA-N 0 1 222.336 2.269 20 0 BEADMN CC(C)(C)C[C@@H]1CCN([C@H]2CCOC2=O)C1 ZINC000832727008 587680382 /nfs/dbraw/zinc/68/03/82/587680382.db2.gz ICIMVMYKPXPCBQ-QWRGUYRKSA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@H](NC(=O)C(F)(F)CC)C(F)(F)F ZINC000832824348 587692456 /nfs/dbraw/zinc/69/24/56/587692456.db2.gz WICZQZPEUBIPOT-YFKPBYRVSA-N 0 1 233.180 2.489 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCC2CCCCC2)C1 ZINC000833175437 587700727 /nfs/dbraw/zinc/70/07/27/587700727.db2.gz QTPHUKLDGDYBQS-CYBMUJFWSA-N 0 1 243.322 2.455 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CCC2CCCC2)C1 ZINC000833176064 587700733 /nfs/dbraw/zinc/70/07/33/587700733.db2.gz WEPMZOKRMRITDH-LBPRGKRZSA-N 0 1 229.295 2.065 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCCC2CCCC2)C1 ZINC000833174746 587700879 /nfs/dbraw/zinc/70/08/79/587700879.db2.gz JJYVEEFQLSWPQQ-CYBMUJFWSA-N 0 1 243.322 2.455 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000833172959 587700916 /nfs/dbraw/zinc/70/09/16/587700916.db2.gz YAYBYYULHWDNQG-RTXFEEFZSA-N 0 1 249.285 2.436 20 0 BEADMN CC(C)[N@H+](Cc1c[nH]c(C(=O)[O-])c1)CC1CC1 ZINC000833496928 587717559 /nfs/dbraw/zinc/71/75/59/587717559.db2.gz RXXISNSPNJTLIF-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CC(C)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833496688 587717987 /nfs/dbraw/zinc/71/79/87/587717987.db2.gz QCIVEDGSEMURMU-UHFFFAOYSA-N 0 1 222.288 2.086 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833516457 587718496 /nfs/dbraw/zinc/71/84/96/587718496.db2.gz XDPFQJXOGNYCFO-SECBINFHSA-N 0 1 248.326 2.476 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2[C@H](C)CC[C@@H]2C)O1 ZINC000833579162 587721282 /nfs/dbraw/zinc/72/12/82/587721282.db2.gz AVWQRGFRWREXHB-WCABBAIRSA-N 0 1 239.315 2.007 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833601369 587723364 /nfs/dbraw/zinc/72/33/64/587723364.db2.gz AWGICVUBSRQIRE-ZJUUUORDSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000833613504 587724287 /nfs/dbraw/zinc/72/42/87/587724287.db2.gz XTILSCNRPNSLTE-MDZLAQPJSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@H]1CC[N@H+](Cc2occc2C(=O)[O-])C[C@H]1F ZINC000833615678 587724480 /nfs/dbraw/zinc/72/44/80/587724480.db2.gz ICAGHFBPYDUXBN-WCBMZHEXSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@H]1F ZINC000833615678 587724483 /nfs/dbraw/zinc/72/44/83/587724483.db2.gz ICAGHFBPYDUXBN-WCBMZHEXSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@H]1C ZINC000833613223 587724548 /nfs/dbraw/zinc/72/45/48/587724548.db2.gz FONQEDZYSNJVFX-ZJUUUORDSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])C2CC2)Cc2ccccc21 ZINC000833620651 587724714 /nfs/dbraw/zinc/72/47/14/587724714.db2.gz HLRURDNAGWZUBQ-YGRLFVJLSA-N 0 1 245.322 2.469 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])C2CC2)Cc2ccccc21 ZINC000833620648 587724986 /nfs/dbraw/zinc/72/49/86/587724986.db2.gz HLRURDNAGWZUBQ-QMTHXVAHSA-N 0 1 245.322 2.469 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833793143 587732451 /nfs/dbraw/zinc/73/24/51/587732451.db2.gz AGWAPNOGAFRHCN-WDEREUQCSA-N 0 1 228.336 2.153 20 0 BEADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000833829080 587734706 /nfs/dbraw/zinc/73/47/06/587734706.db2.gz FIYATZSXMCCUBG-PWSUYJOCSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(C)(C)C ZINC000833835487 587735420 /nfs/dbraw/zinc/73/54/20/587735420.db2.gz ZWBGMAKUWPUIKZ-QWRGUYRKSA-N 0 1 242.363 2.401 20 0 BEADMN O=C([O-])N1CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC000834109914 587746059 /nfs/dbraw/zinc/74/60/59/587746059.db2.gz MZEILDOLRLHYFW-GFCCVEGCSA-N 0 1 238.331 2.028 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000834222437 587749363 /nfs/dbraw/zinc/74/93/63/587749363.db2.gz YIJKTRXGTPXTKP-NEPJUHHUSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])Nc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000834269346 587750408 /nfs/dbraw/zinc/75/04/08/587750408.db2.gz TYWWHWCVHUQSAL-PWSUYJOCSA-N 0 1 232.283 2.371 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2cc(F)ncc2F)O1 ZINC000835087236 587781742 /nfs/dbraw/zinc/78/17/42/587781742.db2.gz OKCMLZXOLPJNDC-PSASIEDQSA-N 0 1 242.269 2.017 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2cccnc2Cl)O1 ZINC000835086879 587781900 /nfs/dbraw/zinc/78/19/00/587781900.db2.gz KWFONMRDKCCZEO-MWLCHTKSSA-N 0 1 240.734 2.392 20 0 BEADMN CC/C(C)=C/C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000835457483 587803291 /nfs/dbraw/zinc/80/32/91/587803291.db2.gz IKIPTOVQHPJMNS-RMKNXTFCSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C(C)=C/C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000835457483 587803292 /nfs/dbraw/zinc/80/32/92/587803292.db2.gz IKIPTOVQHPJMNS-RMKNXTFCSA-N 0 1 237.303 2.328 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000835456609 587803296 /nfs/dbraw/zinc/80/32/96/587803296.db2.gz BPJLNBYMMOUDFW-RKDXNWHRSA-N 0 1 237.303 2.017 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000835456609 587803297 /nfs/dbraw/zinc/80/32/97/587803297.db2.gz BPJLNBYMMOUDFW-RKDXNWHRSA-N 0 1 237.303 2.017 20 0 BEADMN CC[C@@H](C(=O)OCC(C)(C)OC)N(CC)CC ZINC000835499171 587805664 /nfs/dbraw/zinc/80/56/64/587805664.db2.gz QXJFBFBHKWKYHB-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CSC[C@H](C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000835676021 587811944 /nfs/dbraw/zinc/81/19/44/587811944.db2.gz GUPATTUCYUSZHD-GHMZBOCLSA-N 0 1 247.404 2.115 20 0 BEADMN O=C(CCCCc1cn[nH]n1)OC1CC2(CC2)C1 ZINC000835727468 587815780 /nfs/dbraw/zinc/81/57/80/587815780.db2.gz PVMQVMUVQZTKAH-UHFFFAOYSA-N 0 1 249.314 2.003 20 0 BEADMN CCc1cc(CNC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000836691043 587836008 /nfs/dbraw/zinc/83/60/08/587836008.db2.gz KMOLPTPOHGZYJJ-JTQLQIEISA-N 0 1 247.342 2.335 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837003831 587847337 /nfs/dbraw/zinc/84/73/37/587847337.db2.gz AZHCUWDGJYNHKM-XZHRJIJLSA-N 0 1 238.375 2.285 20 0 BEADMN C=COc1ccc(NC(=O)[C@H]2CCCN2C)cc1 ZINC000837762387 587894547 /nfs/dbraw/zinc/89/45/47/587894547.db2.gz XVXXPVHJOCCPRW-CYBMUJFWSA-N 0 1 246.310 2.242 20 0 BEADMN CCC/C=C/C(=O)NCc1ccc2cncn2c1 ZINC000837859106 587900224 /nfs/dbraw/zinc/90/02/24/587900224.db2.gz YLIRHCYTSIOEOT-SNAWJCMRSA-N 0 1 243.310 2.307 20 0 BEADMN CC(C)[C@H]1C[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CS1 ZINC000840996500 587934262 /nfs/dbraw/zinc/93/42/62/587934262.db2.gz VKUWVJMMURZWAO-HBNTYKKESA-N 0 1 243.372 2.066 20 0 BEADMN CCCCN(CN1CC(F)(F)CC1=O)C1CC1 ZINC000841678484 587972148 /nfs/dbraw/zinc/97/21/48/587972148.db2.gz OOLKNIXTMKGEBG-UHFFFAOYSA-N 0 1 246.301 2.076 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000841890306 587981830 /nfs/dbraw/zinc/98/18/30/587981830.db2.gz MSMFDCGVLLHBLK-HOSYDEDBSA-N 0 1 236.363 2.083 20 0 BEADMN CCC(N)=NOCCOCC1CCCC1 ZINC000842023039 587989302 /nfs/dbraw/zinc/98/93/02/587989302.db2.gz CKKMYUVNLMTMEE-UHFFFAOYSA-N 0 1 214.309 2.102 20 0 BEADMN CCCCC(N)=NOCCC1CCOCC1 ZINC000842025868 587989911 /nfs/dbraw/zinc/98/99/11/587989911.db2.gz WMFRLIINKHBICE-UHFFFAOYSA-N 0 1 228.336 2.492 20 0 BEADMN Clc1ccc(COCCc2c[nH]nn2)s1 ZINC000842068629 587995347 /nfs/dbraw/zinc/99/53/47/587995347.db2.gz UIPHHVTWAWQMEZ-UHFFFAOYSA-N 0 1 243.719 2.279 20 0 BEADMN CC[C@H](C(=O)OC[C@H](CC)OC)N(CC)CC ZINC000842079517 587996820 /nfs/dbraw/zinc/99/68/20/587996820.db2.gz ARDHSUPKJVIZNC-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@@](C)(O)c1nc([C@H](N)CC(C)C)no1 ZINC000842587076 588044255 /nfs/dbraw/zinc/04/42/55/588044255.db2.gz VLHXVBRDFUIYFE-BXKDBHETSA-N 0 1 241.335 2.123 20 0 BEADMN Cc1ccc([C@H](C)c2nc(C3(N)CCC3)no2)o1 ZINC000842618546 588046366 /nfs/dbraw/zinc/04/63/66/588046366.db2.gz SHOBFDDLMCWCEW-VIFPVBQESA-N 0 1 247.298 2.461 20 0 BEADMN CCC1=C(c2nc([C@@H]3CCCN3)no2)CCCO1 ZINC000842637380 588047464 /nfs/dbraw/zinc/04/74/64/588047464.db2.gz MDUZYDZTFCDQCJ-JTQLQIEISA-N 0 1 249.314 2.426 20 0 BEADMN Cc1cc(Cl)nc(CN[C@@H]2CO[C@@H](C)C2)c1 ZINC000842702724 588054562 /nfs/dbraw/zinc/05/45/62/588054562.db2.gz KSEFQTCIADRIOP-ONGXEEELSA-N 0 1 240.734 2.310 20 0 BEADMN O=C(OCc1c[nH]nn1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000842791486 588064033 /nfs/dbraw/zinc/06/40/33/588064033.db2.gz CZLOHMIYHBTKAZ-VXGBXAGGSA-N 0 1 249.314 2.064 20 0 BEADMN O=C(OCc1c[nH]nn1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000842791483 588064156 /nfs/dbraw/zinc/06/41/56/588064156.db2.gz CZLOHMIYHBTKAZ-NEPJUHHUSA-N 0 1 249.314 2.064 20 0 BEADMN CC(C)[C@H](N)c1noc(/C=C/c2ccco2)n1 ZINC000843146746 588086476 /nfs/dbraw/zinc/08/64/76/588086476.db2.gz OUBJMAYQWDMNDV-QRGHLMKCSA-N 0 1 233.271 2.489 20 0 BEADMN CC(C)[C@@H](N)c1noc(/C=C/c2ccco2)n1 ZINC000843146745 588086486 /nfs/dbraw/zinc/08/64/86/588086486.db2.gz OUBJMAYQWDMNDV-MVIFTORASA-N 0 1 233.271 2.489 20 0 BEADMN CCCc1cc(-c2nc([C@H](N)C(C)C)no2)n[nH]1 ZINC000843148265 588086733 /nfs/dbraw/zinc/08/67/33/588086733.db2.gz OIHMVYJPGAMYGB-SNVBAGLBSA-N 0 1 249.318 2.068 20 0 BEADMN Cc1ccc(Cc2nc([C@H](N)C(C)C)no2)o1 ZINC000843149876 588087745 /nfs/dbraw/zinc/08/77/45/588087745.db2.gz FSOZWUSDYUAPPX-LLVKDONJSA-N 0 1 235.287 2.218 20 0 BEADMN CC[C@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000843187315 588091067 /nfs/dbraw/zinc/09/10/67/588091067.db2.gz FFALJWBKNUWKHY-QMMMGPOBSA-N 0 1 243.270 2.023 20 0 BEADMN C[C@H](c1noc(CNCC2CC2)n1)C1CC1 ZINC000843194114 588092753 /nfs/dbraw/zinc/09/27/53/588092753.db2.gz CXRYZPVVWRULEH-QMMMGPOBSA-N 0 1 221.304 2.083 20 0 BEADMN CCCONC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000844087224 588164914 /nfs/dbraw/zinc/16/49/14/588164914.db2.gz INWKJUIKCCVJFR-LBPRGKRZSA-N 0 1 249.310 2.183 20 0 BEADMN CCN(Cc1ccc(F)cn1)[C@@H]1CCCOC1 ZINC000844400852 588189912 /nfs/dbraw/zinc/18/99/12/588189912.db2.gz FZFQRMNSMZPNKQ-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)OCC12CCC2 ZINC000844422963 588191859 /nfs/dbraw/zinc/19/18/59/588191859.db2.gz VDTNRRGSSIDJJR-GFCCVEGCSA-N 0 1 239.359 2.245 20 0 BEADMN Fc1ccc(CN2CC[C@@]3(CC3(F)F)C2)nc1 ZINC000844467859 588197639 /nfs/dbraw/zinc/19/76/39/588197639.db2.gz IZOQLGCZMZVJKK-LLVKDONJSA-N 0 1 242.244 2.452 20 0 BEADMN CC1=CCCN(CN2C(=O)CC23CCCC3)C1 ZINC000844704931 588214195 /nfs/dbraw/zinc/21/41/95/588214195.db2.gz PYQCCNKOVSVASD-UHFFFAOYSA-N 0 1 234.343 2.141 20 0 BEADMN CCCC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845738409 588242950 /nfs/dbraw/zinc/24/29/50/588242950.db2.gz NHHDGRQOTUFBJQ-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CCc1cccc(CNCc2cncnc2)c1 ZINC000846100796 588256503 /nfs/dbraw/zinc/25/65/03/588256503.db2.gz TXOARUSLDXLRCJ-UHFFFAOYSA-N 0 1 227.311 2.329 20 0 BEADMN C[C@@H](N[C@@H](CO)CCF)c1cccnc1Cl ZINC000846209798 588260216 /nfs/dbraw/zinc/26/02/16/588260216.db2.gz VFYDQSYIDJTMCM-RKDXNWHRSA-N 0 1 246.713 2.106 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C/Cl)C1CCCCC1 ZINC000846271724 588263375 /nfs/dbraw/zinc/26/33/75/588263375.db2.gz AIBMMYSIBXFWKO-QPJJXVBHSA-N 0 1 231.723 2.458 20 0 BEADMN CCCCCC[N@H+]1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000846282716 588264127 /nfs/dbraw/zinc/26/41/27/588264127.db2.gz AQOOUHCSPBBHFP-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN CN(Cc1cnc(Cl)c(F)c1)CC(C)(C)O ZINC000846806761 588289672 /nfs/dbraw/zinc/28/96/72/588289672.db2.gz AZQLYZFWXCKOMK-UHFFFAOYSA-N 0 1 246.713 2.077 20 0 BEADMN CON1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000846970568 588299291 /nfs/dbraw/zinc/29/92/91/588299291.db2.gz HLECJVZOOPEJHE-CYBMUJFWSA-N 0 1 224.348 2.054 20 0 BEADMN CC1(C(=O)OCc2cc(C3CC3)[nH]n2)CC1 ZINC000848013486 588347258 /nfs/dbraw/zinc/34/72/58/588347258.db2.gz OBXWSOASBWFXSI-UHFFFAOYSA-N 0 1 220.272 2.130 20 0 BEADMN CC(C)[C@H](F)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848012974 588347435 /nfs/dbraw/zinc/34/74/35/588347435.db2.gz ZSPFHTLIJGUASK-NSHDSACASA-N 0 1 240.278 2.324 20 0 BEADMN CC1(C)C[C@H]1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013128 588347593 /nfs/dbraw/zinc/34/75/93/588347593.db2.gz TYGBLJTXRRQBMQ-JTQLQIEISA-N 0 1 234.299 2.376 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)[C@H]1C[C@@H]1C1CC1 ZINC000848010405 588347614 /nfs/dbraw/zinc/34/76/14/588347614.db2.gz HNGKFDCHFWPWIV-NEPJUHHUSA-N 0 1 246.310 2.376 20 0 BEADMN C[C@@H]1C[C@@H](NCc2noc3ccccc32)CO1 ZINC000848576087 588398998 /nfs/dbraw/zinc/39/89/98/588398998.db2.gz ZKVOWIDGLOIQLQ-NXEZZACHSA-N 0 1 232.283 2.095 20 0 BEADMN C[C@H]1C[C@@H](NCc2noc3ccccc32)CO1 ZINC000848576089 588399149 /nfs/dbraw/zinc/39/91/49/588399149.db2.gz ZKVOWIDGLOIQLQ-VHSXEESVSA-N 0 1 232.283 2.095 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(COC)cc2)no1 ZINC000848622084 588402266 /nfs/dbraw/zinc/40/22/66/588402266.db2.gz RECGCUHARYCVKC-VIFPVBQESA-N 0 1 247.298 2.163 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(C)ccc2F)no1 ZINC000848628520 588402699 /nfs/dbraw/zinc/40/26/99/588402699.db2.gz WDDMZJLLUYKQPO-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C)cc2F)no1 ZINC000848627252 588402755 /nfs/dbraw/zinc/40/27/55/588402755.db2.gz WOOSWNIFQBFZAR-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN C[C@@H]1CN(Cc2cnc(Cl)n2C)C[C@H]1C ZINC000848885831 588415641 /nfs/dbraw/zinc/41/56/41/588415641.db2.gz ADHLHBJRJIARRC-RKDXNWHRSA-N 0 1 227.739 2.161 20 0 BEADMN COC(=O)/C=C\c1ccc(CN(C)C2CC2)o1 ZINC000848881530 588415940 /nfs/dbraw/zinc/41/59/40/588415940.db2.gz PPIJCBSTANUKIG-FPLPWBNLSA-N 0 1 235.283 2.060 20 0 BEADMN CC[C@H]1CCCN1Cc1cnc(Cl)n1C ZINC000848883675 588416684 /nfs/dbraw/zinc/41/66/84/588416684.db2.gz QIXPMOZXUVGOCJ-VIFPVBQESA-N 0 1 227.739 2.448 20 0 BEADMN C[C@H]1CCCN1Cc1cnc(Cl)n1C ZINC000848884382 588417110 /nfs/dbraw/zinc/41/71/10/588417110.db2.gz KPHVQMLYCONSNR-QMMMGPOBSA-N 0 1 213.712 2.058 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cnc(Cl)n2C)C1 ZINC000848888631 588417625 /nfs/dbraw/zinc/41/76/25/588417625.db2.gz XXAQYQFMAHJKIQ-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cnc(Cl)n1C ZINC000848888629 588417773 /nfs/dbraw/zinc/41/77/73/588417773.db2.gz XXAQYQFMAHJKIQ-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN Cc1nnc(SCCN2CCCC2)s1 ZINC000848949212 588422155 /nfs/dbraw/zinc/42/21/55/588422155.db2.gz SXFZQSGPDOXFQS-UHFFFAOYSA-N 0 1 229.374 2.034 20 0 BEADMN Cc1ccnc(NCc2cnn(C)n2)c1C1CC1 ZINC000849347345 588474318 /nfs/dbraw/zinc/47/43/18/588474318.db2.gz DVMMOWJJBJCIMH-UHFFFAOYSA-N 0 1 243.314 2.008 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2ccc(C)o2)n[nH]1 ZINC000849626171 588481354 /nfs/dbraw/zinc/48/13/54/588481354.db2.gz WYFFJWHAEZULNR-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000849646827 588483966 /nfs/dbraw/zinc/48/39/66/588483966.db2.gz DILLCDSCZJXEGW-UWVGGRQHSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000849646826 588484061 /nfs/dbraw/zinc/48/40/61/588484061.db2.gz DILLCDSCZJXEGW-NXEZZACHSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C(C)=C(C)C)n[nH]1 ZINC000849738684 588491880 /nfs/dbraw/zinc/49/18/80/588491880.db2.gz BCHSUSOXNXONEU-SECBINFHSA-N 0 1 237.303 2.328 20 0 BEADMN CC(C)[C@@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000849777124 588496935 /nfs/dbraw/zinc/49/69/35/588496935.db2.gz VLCDNWFQFNIJOY-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CC/C(C)=C\C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849794920 588500201 /nfs/dbraw/zinc/50/02/01/588500201.db2.gz RKZQRNASTCWLLN-FUOZMLNRSA-N 0 1 237.303 2.328 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 ZINC000849859945 588506030 /nfs/dbraw/zinc/50/60/30/588506030.db2.gz XZUCFWKNABNSEX-CPOMMVLXSA-N 0 1 249.314 2.154 20 0 BEADMN Cc1c[nH]c(CNC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000850316055 588536452 /nfs/dbraw/zinc/53/64/52/588536452.db2.gz YMNCOICFIKMDCE-SECBINFHSA-N 0 1 248.157 2.392 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2noc3ccccc32)CO1 ZINC000850339203 588537250 /nfs/dbraw/zinc/53/72/50/588537250.db2.gz MCWYJEJXEKODBN-GHMZBOCLSA-N 0 1 246.310 2.485 20 0 BEADMN Fc1cccn2cc(CN[C@@H]3C=CCC3)nc12 ZINC000850358501 588539176 /nfs/dbraw/zinc/53/91/76/588539176.db2.gz DWVSLFCVPOXJCP-SNVBAGLBSA-N 0 1 231.274 2.282 20 0 BEADMN C1=C[C@@H](NCc2nc3c(s2)CCC3)CC1 ZINC000850358879 588539628 /nfs/dbraw/zinc/53/96/28/588539628.db2.gz MOVKSVCMBKSVIB-SECBINFHSA-N 0 1 220.341 2.440 20 0 BEADMN O[C@@H]1C[C@H](NCc2ccncc2)c2ccccc21 ZINC000850369400 588540839 /nfs/dbraw/zinc/54/08/39/588540839.db2.gz JHMMCTOTUULFGH-LSDHHAIUSA-N 0 1 240.306 2.350 20 0 BEADMN Cn1cccc1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850371765 588541110 /nfs/dbraw/zinc/54/11/10/588541110.db2.gz LQFNGWJWSIDFOG-LSDHHAIUSA-N 0 1 242.322 2.293 20 0 BEADMN CCc1nocc1CN[C@H]1COC2(CCC2)C1 ZINC000850368908 588541249 /nfs/dbraw/zinc/54/12/49/588541249.db2.gz CQAJJCMTAXBHTL-LLVKDONJSA-N 0 1 236.315 2.038 20 0 BEADMN c1csc([C@H](N[C@H]2C=CCC2)c2nnc[nH]2)c1 ZINC000850509552 588554595 /nfs/dbraw/zinc/55/45/95/588554595.db2.gz RJRASDWZGBTUDF-ONGXEEELSA-N 0 1 246.339 2.264 20 0 BEADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ncc[nH]1 ZINC000850550985 588559811 /nfs/dbraw/zinc/55/98/11/588559811.db2.gz FWAKVWWZCHNRBF-YUMQZZPRSA-N 0 1 229.274 2.352 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ccccn2)no1 ZINC000109497313 588563814 /nfs/dbraw/zinc/56/38/14/588563814.db2.gz HNIYJMRJKLERTA-VIFPVBQESA-N 0 1 232.287 2.192 20 0 BEADMN O=C(OCc1c[nH]nn1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000851017052 588584511 /nfs/dbraw/zinc/58/45/11/588584511.db2.gz ACQFCKMTPXFMQX-GDNZZTSVSA-N 0 1 249.314 2.064 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@]1(C)CC1(F)F)N(C)C ZINC000851258401 588598310 /nfs/dbraw/zinc/59/83/10/588598310.db2.gz LEQRNIISSQBJEN-GXSJLCMTSA-N 0 1 249.301 2.161 20 0 BEADMN CCCC[C@](C)(F)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000851632027 588612128 /nfs/dbraw/zinc/61/21/28/588612128.db2.gz JEJAPFYWKHIXBA-LOWVWBTDSA-N 0 1 244.354 2.114 20 0 BEADMN COc1cccc(CNC(=O)C(F)(F)F)c1C ZINC000851705859 588615094 /nfs/dbraw/zinc/61/50/94/588615094.db2.gz WGERIVOMGKXKQU-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN Cc1ccc(CN(C)C[C@@H](O)c2ccccn2)o1 ZINC000851719063 588616890 /nfs/dbraw/zinc/61/68/90/588616890.db2.gz UIBFKXLGDLBPIU-CQSZACIVSA-N 0 1 246.310 2.148 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@H](O)c1ccccn1 ZINC000851738450 588620964 /nfs/dbraw/zinc/62/09/64/588620964.db2.gz HGDVQSUYQSFDQQ-AAEUAGOBSA-N 0 1 246.310 2.401 20 0 BEADMN CC[C@@H](C)[C@H](C)N(Cc1cnon1)C1CC1 ZINC000851753124 588623827 /nfs/dbraw/zinc/62/38/27/588623827.db2.gz OENOGQXSQDRPSC-ZJUUUORDSA-N 0 1 223.320 2.469 20 0 BEADMN CC[C@H]1CCCCCN1Cc1cnon1 ZINC000851779703 588627377 /nfs/dbraw/zinc/62/73/77/588627377.db2.gz CNDIVZXSSBJZLH-NSHDSACASA-N 0 1 209.293 2.224 20 0 BEADMN CCN(CCOC(F)F)Cc1ccccn1 ZINC000851809356 588632106 /nfs/dbraw/zinc/63/21/06/588632106.db2.gz UHHUOXMBKMRUJR-UHFFFAOYSA-N 0 1 230.258 2.143 20 0 BEADMN CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@H](F)C2)C1 ZINC000851909372 588642660 /nfs/dbraw/zinc/64/26/60/588642660.db2.gz CZIAVYCRUYJUHV-NNYUYHANSA-N 0 1 215.312 2.234 20 0 BEADMN OC[C@H](NCc1nsc2ccccc21)C1CC1 ZINC000851933480 588645499 /nfs/dbraw/zinc/64/54/99/588645499.db2.gz RGLZUHVLEXZHAR-LBPRGKRZSA-N 0 1 248.351 2.157 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@@H](C)c2nnc(C)s2)C1 ZINC000851935648 588646027 /nfs/dbraw/zinc/64/60/27/588646027.db2.gz FRLQUJPZMBOVDO-FXBDTBDDSA-N 0 1 241.360 2.065 20 0 BEADMN CC[C@@]1(O)CCN(CC=C(Cl)Cl)C1 ZINC000851957717 588648015 /nfs/dbraw/zinc/64/80/15/588648015.db2.gz QURFHMZIVNTRMW-SECBINFHSA-N 0 1 224.131 2.152 20 0 BEADMN CO[C@H]1CN(Cc2cccc(F)n2)CC[C@@H]1C ZINC000851971741 588649711 /nfs/dbraw/zinc/64/97/11/588649711.db2.gz SLVKKTJJHUJQPR-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@H]1CSCCN(Cc2cccc(F)n2)C1 ZINC000851983443 588651238 /nfs/dbraw/zinc/65/12/38/588651238.db2.gz YAWQSDLYHDUPIQ-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN CSCCCN(C)Cc1cccc(F)n1 ZINC000852008328 588654704 /nfs/dbraw/zinc/65/47/04/588654704.db2.gz CFEBFEPEZDBGRA-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN FC(F)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000852017112 588655819 /nfs/dbraw/zinc/65/58/19/588655819.db2.gz UBSVZZDQFOHVMN-WYUUTHIRSA-N 0 1 245.313 2.389 20 0 BEADMN C[C@]12CCN(CCOC(F)F)C[C@H]1C2(F)F ZINC000852075088 588659931 /nfs/dbraw/zinc/65/99/31/588659931.db2.gz JJKUPSFCCHTNPH-APPZFPTMSA-N 0 1 241.228 2.203 20 0 BEADMN Cc1ccc(CN(C)CCOC(F)F)nc1 ZINC000852119605 588665203 /nfs/dbraw/zinc/66/52/03/588665203.db2.gz CKYJPHHQYVDQND-UHFFFAOYSA-N 0 1 230.258 2.061 20 0 BEADMN c1nonc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000852208379 588671420 /nfs/dbraw/zinc/67/14/20/588671420.db2.gz GITDBSQAZBNNGU-LBPRGKRZSA-N 0 1 221.304 2.224 20 0 BEADMN c1nonc1CN1CCCC[C@H]1C1CCC1 ZINC000852208379 588671421 /nfs/dbraw/zinc/67/14/21/588671421.db2.gz GITDBSQAZBNNGU-LBPRGKRZSA-N 0 1 221.304 2.224 20 0 BEADMN Cn1cnc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000852213502 588673122 /nfs/dbraw/zinc/67/31/22/588673122.db2.gz KQIGVRGATLWHES-LLVKDONJSA-N 0 1 241.285 2.041 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000852220325 588674102 /nfs/dbraw/zinc/67/41/02/588674102.db2.gz NECMFHRZHVFONX-AAEUAGOBSA-N 0 1 217.316 2.159 20 0 BEADMN CN(C/C(Cl)=C\Cl)Cc1cnc[nH]1 ZINC000852288683 588676496 /nfs/dbraw/zinc/67/64/96/588676496.db2.gz RTVFUDUTHRQBRR-FARCUNLSSA-N 0 1 220.103 2.161 20 0 BEADMN Cn1ncc(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC000852490651 588685420 /nfs/dbraw/zinc/68/54/20/588685420.db2.gz TWEZCNDZVPHNFF-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](CCF)C2)cn1 ZINC000852533016 588688277 /nfs/dbraw/zinc/68/82/77/588688277.db2.gz OSHLNJRQXYXKEL-LBPRGKRZSA-N 0 1 237.322 2.357 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nonc2C)C1 ZINC000852592009 588692190 /nfs/dbraw/zinc/69/21/90/588692190.db2.gz FOFOZMORTHYFKA-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN CCCCCCNC(=O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000852634272 588693396 /nfs/dbraw/zinc/69/33/96/588693396.db2.gz FZXCMEWLSRJGMM-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN CN(c1ccccc1)[C@H]1CC[N@@H+](CCF)C1 ZINC000852655233 588694102 /nfs/dbraw/zinc/69/41/02/588694102.db2.gz UPABUULHAVPEAI-ZDUSSCGKSA-N 0 1 222.307 2.167 20 0 BEADMN CN(c1ccccc1)[C@H]1CCN(CCF)C1 ZINC000852655233 588694103 /nfs/dbraw/zinc/69/41/03/588694103.db2.gz UPABUULHAVPEAI-ZDUSSCGKSA-N 0 1 222.307 2.167 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C[C@@H]1CC1(C)C ZINC000852771061 588701144 /nfs/dbraw/zinc/70/11/44/588701144.db2.gz AFWYNJQWRCHZLL-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN O=C(CCc1nc[nH]n1)O[C@H]1CCC=CCCC1 ZINC000861231934 589154015 /nfs/dbraw/zinc/15/40/15/589154015.db2.gz XIMYUGORXRMBOS-NSHDSACASA-N 0 1 249.314 2.169 20 0 BEADMN O=C(CC1CCCCC1)OCCN1CCC1 ZINC000861384547 589162185 /nfs/dbraw/zinc/16/21/85/589162185.db2.gz AVKCAMRWVMXGAU-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN Cc1cccc(CCC(=O)OCCN2CCC2)c1 ZINC000861384123 589162382 /nfs/dbraw/zinc/16/23/82/589162382.db2.gz DFNZGRNTDCWQMU-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN C[C@@H](C(=O)OCCN1CCC1)C1CCCC1 ZINC000861387249 589162485 /nfs/dbraw/zinc/16/24/85/589162485.db2.gz BQGKINMINFXXCV-LLVKDONJSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)OCCN1CCC1 ZINC000861386954 589162541 /nfs/dbraw/zinc/16/25/41/589162541.db2.gz SDUHVAOOWGXSJP-OLZOCXBDSA-N 0 1 239.359 2.452 20 0 BEADMN O=C(/C=C/c1ccccc1F)OCCN1CCC1 ZINC000861385773 589162758 /nfs/dbraw/zinc/16/27/58/589162758.db2.gz YSCGLQLSZNPKRI-VOTSOKGWSA-N 0 1 249.285 2.088 20 0 BEADMN O=C(OCCN1CCC1)c1cccc2c1CCC2 ZINC000861386701 589162769 /nfs/dbraw/zinc/16/27/69/589162769.db2.gz KZJVWHZCEBGRCC-UHFFFAOYSA-N 0 1 245.322 2.038 20 0 BEADMN C[C@H]1CC(C(=O)OCCN2CCC2)C[C@H](C)C1 ZINC000861389044 589162836 /nfs/dbraw/zinc/16/28/36/589162836.db2.gz WEQUGQBYFGTZQY-VXGBXAGGSA-N 0 1 239.359 2.308 20 0 BEADMN C[C@H]1CC[C@H](CC(=O)OCCN2CCC2)C1 ZINC000861388619 589162938 /nfs/dbraw/zinc/16/29/38/589162938.db2.gz VTENPVYZZQOFIX-RYUDHWBXSA-N 0 1 225.332 2.062 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1C[C@H]1C1CCCC1 ZINC000861389932 589163386 /nfs/dbraw/zinc/16/33/86/589163386.db2.gz CPRJVEVZEMGKOT-STQMWFEESA-N 0 1 237.343 2.062 20 0 BEADMN CC1(C)CC[C@H](C(=O)OCCN2CCC2)C1 ZINC000861389094 589163588 /nfs/dbraw/zinc/16/35/88/589163588.db2.gz XGVBCRSKNVSBFQ-NSHDSACASA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000861809074 589178822 /nfs/dbraw/zinc/17/88/22/589178822.db2.gz PBJCVHQIERMDPC-KNZXXDILSA-N 0 1 243.347 2.140 20 0 BEADMN CO[C@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862226753 589195795 /nfs/dbraw/zinc/19/57/95/589195795.db2.gz NDUVFSGXIWUCNC-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN C[C@H](NC(CF)CF)C1CC(F)(F)C1 ZINC000862381488 589206277 /nfs/dbraw/zinc/20/62/77/589206277.db2.gz DFHHNDKJPSGNCT-LURJTMIESA-N 0 1 213.218 2.317 20 0 BEADMN C[C@@H](NC(CF)CF)C1CC(F)(F)C1 ZINC000862381489 589206584 /nfs/dbraw/zinc/20/65/84/589206584.db2.gz DFHHNDKJPSGNCT-ZCFIWIBFSA-N 0 1 213.218 2.317 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)cnc1Cl ZINC000862440466 589213059 /nfs/dbraw/zinc/21/30/59/589213059.db2.gz IEUHOJZPOHIRLS-PHIMTYICSA-N 0 1 222.719 2.495 20 0 BEADMN Cc1ccc(CN2CCCC(F)(F)CC2)nn1 ZINC000862466759 589216553 /nfs/dbraw/zinc/21/65/53/589216553.db2.gz JTACKMBDKDOCGG-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN C/C=C\CNCc1ccc(/C=C\C(=O)OC)o1 ZINC000862531513 589218030 /nfs/dbraw/zinc/21/80/30/589218030.db2.gz ZXQGIURUCWXOON-KPDBFRNYSA-N 0 1 235.283 2.132 20 0 BEADMN Cc1ccc(NC(=O)[C@H](C(C)C)N(C)C)c(C)n1 ZINC000119353352 589272528 /nfs/dbraw/zinc/27/25/28/589272528.db2.gz GGUDSENSKYHZDP-ZDUSSCGKSA-N 0 1 249.358 2.223 20 0 BEADMN CC(C)C[C@H]1CCCN([C@@H]2CCOC2=O)C1 ZINC000119394419 589276790 /nfs/dbraw/zinc/27/67/90/589276790.db2.gz PZHOIVGSFGEHJE-VXGBXAGGSA-N 0 1 225.332 2.060 20 0 BEADMN FC(F)=C(F)CCSc1cn[nH]n1 ZINC000863309499 589278542 /nfs/dbraw/zinc/27/85/42/589278542.db2.gz XCRXISNWFFJIHJ-UHFFFAOYSA-N 0 1 209.196 2.365 20 0 BEADMN CCC(N)=NOCc1ncccc1Cl ZINC000863455623 589288965 /nfs/dbraw/zinc/28/89/65/589288965.db2.gz PPXROKZVKVVHDF-UHFFFAOYSA-N 0 1 213.668 2.143 20 0 BEADMN c1ccc(-c2ccc([C@@H]3COCCN3)cc2)nc1 ZINC000863697885 589311721 /nfs/dbraw/zinc/31/17/21/589311721.db2.gz ZQEJKUINBLGUQY-HNNXBMFYSA-N 0 1 240.306 2.410 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000864052635 589335090 /nfs/dbraw/zinc/33/50/90/589335090.db2.gz AKKVPUVFJBULBP-GWCFXTLKSA-N 0 1 238.306 2.220 20 0 BEADMN CCN1[C@H](C)CN(C(=O)/C=C(\C)Cl)C[C@@H]1C ZINC000864083176 589341809 /nfs/dbraw/zinc/34/18/09/589341809.db2.gz ALOSLVFUHUDFQF-RJSYSCLSSA-N 0 1 244.766 2.070 20 0 BEADMN O=C(c1c(Cl)[nH]nc1C1CC1)N1CCCC1 ZINC000864393359 589358244 /nfs/dbraw/zinc/35/82/44/589358244.db2.gz NDKPXTWYIKNGKE-UHFFFAOYSA-N 0 1 239.706 2.177 20 0 BEADMN Cc1cc(Cl)ccc1Cn1ccnc1CN ZINC000864620539 589384471 /nfs/dbraw/zinc/38/44/71/589384471.db2.gz RJRAYANNXIICOX-UHFFFAOYSA-N 0 1 235.718 2.352 20 0 BEADMN Cc1cc(CN[C@H]2CC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000120166429 589388949 /nfs/dbraw/zinc/38/89/49/589388949.db2.gz IPJDGWABAWXPJC-HNNXBMFYSA-N 0 1 248.370 2.470 20 0 BEADMN c1n[nH]nc1SCC1CC2(CCC2)C1 ZINC000865359568 589424042 /nfs/dbraw/zinc/42/40/42/589424042.db2.gz PSKQVUVPICBERO-UHFFFAOYSA-N 0 1 209.318 2.477 20 0 BEADMN CCOCCCNc1ccncc1C(F)(F)F ZINC000865402031 589433198 /nfs/dbraw/zinc/43/31/98/589433198.db2.gz QCBMEMXMGLMPSC-UHFFFAOYSA-N 0 1 248.248 2.361 20 0 BEADMN OC1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000865406908 589433337 /nfs/dbraw/zinc/43/33/37/589433337.db2.gz MNVJPHCLSAXHSK-UHFFFAOYSA-N 0 1 246.232 2.062 20 0 BEADMN c1csc(CCNCc2cn(C3CC3)cn2)n1 ZINC000865438532 589435875 /nfs/dbraw/zinc/43/58/75/589435875.db2.gz CCMXLHAAMJJZLZ-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN COCCN(C)c1ccncc1C(F)(F)F ZINC000865456998 589437403 /nfs/dbraw/zinc/43/74/03/589437403.db2.gz DCANUZNKJOFQAR-UHFFFAOYSA-N 0 1 234.221 2.183 20 0 BEADMN CC(C)Cc1cc(NCC[N@@H+](C)C2CC2)ncn1 ZINC000865463774 589437828 /nfs/dbraw/zinc/43/78/28/589437828.db2.gz CYEHUXGVKJEQLP-UHFFFAOYSA-N 0 1 248.374 2.181 20 0 BEADMN c1nc(CCNCc2cn(C3CC3)cn2)cs1 ZINC000865468590 589438423 /nfs/dbraw/zinc/43/84/23/589438423.db2.gz IXQSHUXZFDEWPF-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN c1nc(CNCCOCC2CCC2)cn1C1CC1 ZINC000865529179 589443778 /nfs/dbraw/zinc/44/37/78/589443778.db2.gz ALMBTWWWAOSVPN-UHFFFAOYSA-N 0 1 249.358 2.124 20 0 BEADMN c1nc(CNC[C@H]2CCC=CO2)cn1C1CC1 ZINC000865537185 589444014 /nfs/dbraw/zinc/44/40/14/589444014.db2.gz CDTXNEIJQRPPKN-CYBMUJFWSA-N 0 1 233.315 2.000 20 0 BEADMN CN(CC(C)(C)O)c1ccncc1C(F)(F)F ZINC000865538070 589444423 /nfs/dbraw/zinc/44/44/23/589444423.db2.gz FNZYYFUZYIXJPT-UHFFFAOYSA-N 0 1 248.248 2.308 20 0 BEADMN FCC(CF)N[C@@H]1CCc2cccnc2CC1 ZINC000865582485 589448322 /nfs/dbraw/zinc/44/83/22/589448322.db2.gz CMXDMSGVOTZSAR-LLVKDONJSA-N 0 1 240.297 2.226 20 0 BEADMN CO[C@@](C)(CNCc1cn(C2CC2)cn1)C1CC1 ZINC000865576909 589448696 /nfs/dbraw/zinc/44/86/96/589448696.db2.gz WTSRYMLSSCJNIB-AWEZNQCLSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@@H](NCc1ccc(=O)[nH]c1)c1ccns1 ZINC000865644543 589454201 /nfs/dbraw/zinc/45/42/01/589454201.db2.gz DSIZMYWAJGHPKC-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN Fc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccn1 ZINC000865754349 589460920 /nfs/dbraw/zinc/46/09/20/589460920.db2.gz QHMUATVNHZJGRH-HTQZYQBOSA-N 0 1 234.196 2.261 20 0 BEADMN COc1nccnc1CNCCCCC1CC1 ZINC000865786477 589461884 /nfs/dbraw/zinc/46/18/84/589461884.db2.gz NINDAOLGJQWQKE-UHFFFAOYSA-N 0 1 235.331 2.155 20 0 BEADMN CCOC1CN(c2ccncc2C(F)(F)F)C1 ZINC000865838439 589462998 /nfs/dbraw/zinc/46/29/98/589462998.db2.gz WJEQTUAHDDNUJW-UHFFFAOYSA-N 0 1 246.232 2.326 20 0 BEADMN Cn1ccc(CNC2([C@H]3CCCCO3)CCC2)n1 ZINC000865856374 589465256 /nfs/dbraw/zinc/46/52/56/589465256.db2.gz HBSBCLQZDZIGNY-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN FC(F)(F)c1cnccc1N1CC=CC1 ZINC000865871256 589466243 /nfs/dbraw/zinc/46/62/43/589466243.db2.gz KZCRLZMTOMDKBB-UHFFFAOYSA-N 0 1 214.190 2.477 20 0 BEADMN FC(F)(F)c1cnccc1N[C@H]1CC12CC2 ZINC000865889550 589467382 /nfs/dbraw/zinc/46/73/82/589467382.db2.gz NHRCEOZZFLQTMR-VIFPVBQESA-N 0 1 228.217 2.487 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccnn1C ZINC000866451890 589494448 /nfs/dbraw/zinc/49/44/48/589494448.db2.gz QMLCGGCLNDIOBE-GARJFASQSA-N 0 1 225.311 2.351 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1C[C@H](SC)C1 ZINC000866488469 589496992 /nfs/dbraw/zinc/49/69/92/589496992.db2.gz OLKAXGHFRUWRHK-DCAQKATOSA-N 0 1 239.388 2.448 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000866498861 589497803 /nfs/dbraw/zinc/49/78/03/589497803.db2.gz BRNFAGXPZOHMRX-KHQFGBGNSA-N 0 1 245.248 2.328 20 0 BEADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccnn2C)cn1 ZINC000866612448 589504699 /nfs/dbraw/zinc/50/46/99/589504699.db2.gz IZYAPSKVXWSUNK-MNOVXSKESA-N 0 1 247.346 2.048 20 0 BEADMN CC/C=C(/F)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000867459798 589521111 /nfs/dbraw/zinc/52/11/11/589521111.db2.gz ZICJHNFQHZZEOL-WHXYTISESA-N 0 1 225.267 2.240 20 0 BEADMN CCCN(C)Cn1ccc(C(F)(F)F)n1 ZINC000122724945 589624964 /nfs/dbraw/zinc/62/49/64/589624964.db2.gz OVMZFRZRKOPJMY-UHFFFAOYSA-N 0 1 221.226 2.201 20 0 BEADMN Cc1sccc1NC(=O)C1(N(C)C)CCC1 ZINC000870689875 589684241 /nfs/dbraw/zinc/68/42/41/589684241.db2.gz XCMZOVSXEFVYEX-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN Cc1cc(NC(=O)C2(N(C)C)CCC2)cs1 ZINC000871116830 589729230 /nfs/dbraw/zinc/72/92/30/589729230.db2.gz HSROOWPXVMYBPA-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN CC(C)C(N)=NOC1CC(CF)(CF)C1 ZINC000871741300 589803055 /nfs/dbraw/zinc/80/30/55/589803055.db2.gz PEHLCCWGWYCNNO-UHFFFAOYSA-N 0 1 220.263 2.229 20 0 BEADMN COCCc1cc(=O)n(CC2CCCCC2)[nH]1 ZINC000871944402 589837459 /nfs/dbraw/zinc/83/74/59/589837459.db2.gz LQOMBTWMCBDXNW-UHFFFAOYSA-N 0 1 238.331 2.192 20 0 BEADMN CC(C)CCc1cc(=O)n(C[C@H]2CCCO2)[nH]1 ZINC000871948774 589839749 /nfs/dbraw/zinc/83/97/49/589839749.db2.gz BXBVIXLKGXGLNK-GFCCVEGCSA-N 0 1 238.331 2.190 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1cccc(Cl)n1 ZINC000871951543 589840407 /nfs/dbraw/zinc/84/04/07/589840407.db2.gz QNMBXHGXRAAQMI-ZETCQYMHSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccnc(Cl)c3)c(=O)c21 ZINC000871953425 589841621 /nfs/dbraw/zinc/84/16/21/589841621.db2.gz PLSBCKPZEBINFC-HQJQHLMTSA-N 0 1 249.701 2.484 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc(Cl)nc1 ZINC000871955331 589842815 /nfs/dbraw/zinc/84/28/15/589842815.db2.gz XYIARWMPUYDTAT-UHFFFAOYSA-N 0 1 235.674 2.238 20 0 BEADMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C ZINC000871955063 589842861 /nfs/dbraw/zinc/84/28/61/589842861.db2.gz VMUBRQMMBUGVOC-ZCFIWIBFSA-N 0 1 223.663 2.094 20 0 BEADMN C[C@@H](NC[C@H]1CCCO1)c1cc(O)ccc1F ZINC000872016752 589855228 /nfs/dbraw/zinc/85/52/28/589855228.db2.gz ORUFSGPXRWFEJB-MWLCHTKSSA-N 0 1 239.290 2.361 20 0 BEADMN CCOCCN[C@@H](C)c1cccc(O)c1F ZINC000872025376 589856806 /nfs/dbraw/zinc/85/68/06/589856806.db2.gz LTXKKPRZMJBMFW-VIFPVBQESA-N 0 1 227.279 2.218 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cc(O)ccc2F)n[nH]1 ZINC000872037305 589857986 /nfs/dbraw/zinc/85/79/86/589857986.db2.gz DHOQLJHUKVHFRG-VIFPVBQESA-N 0 1 249.289 2.414 20 0 BEADMN C[C@H](N[C@H]1CCCOC1)c1cc(O)ccc1F ZINC000872035798 589858335 /nfs/dbraw/zinc/85/83/35/589858335.db2.gz ZBBZZGUFODLMJN-UWVGGRQHSA-N 0 1 239.290 2.361 20 0 BEADMN COCC1(N[C@H](C)c2cc(O)ccc2F)CC1 ZINC000872057722 589862163 /nfs/dbraw/zinc/86/21/63/589862163.db2.gz HEYDROQMJCMKFI-SECBINFHSA-N 0 1 239.290 2.361 20 0 BEADMN CC[C@@H](NCc1ncn(C)n1)C(C)(C)CC ZINC000872054082 589862339 /nfs/dbraw/zinc/86/23/39/589862339.db2.gz OZIHMRNIDIWEQA-SNVBAGLBSA-N 0 1 224.352 2.120 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc(O)c1F ZINC000872088785 589867926 /nfs/dbraw/zinc/86/79/26/589867926.db2.gz QSCWRUNWGHXUSH-KDDOJWQBSA-N 0 1 239.290 2.359 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(O)ccc1F ZINC000872087051 589867960 /nfs/dbraw/zinc/86/79/60/589867960.db2.gz APRYLQPBDCUECW-CKLFPEKLSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1nccn1C ZINC000872110369 589874058 /nfs/dbraw/zinc/87/40/58/589874058.db2.gz XWRKIKYIMBANDY-RNJOBUHISA-N 0 1 249.358 2.028 20 0 BEADMN COCC[N@@H+](CCC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000872159342 589886543 /nfs/dbraw/zinc/88/65/43/589886543.db2.gz DEEYOAUJPWFABE-NSHDSACASA-N 0 1 245.363 2.092 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1cc(C(=O)[O-])cs1 ZINC000872161357 589887260 /nfs/dbraw/zinc/88/72/60/589887260.db2.gz SALWKZVWXXLZPC-UHFFFAOYSA-N 0 1 237.324 2.431 20 0 BEADMN O[C@@H](CN[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000872236682 589898518 /nfs/dbraw/zinc/89/85/18/589898518.db2.gz SNTUCNZZXQEGJX-STQMWFEESA-N 0 1 241.281 2.197 20 0 BEADMN CC(C)N(CN1CCC2(CCC2)C1=O)C1CC1 ZINC000872561110 589951430 /nfs/dbraw/zinc/95/14/30/589951430.db2.gz NKNZVZQPWJMQDH-UHFFFAOYSA-N 0 1 236.359 2.219 20 0 BEADMN CCCN(CC)CN1CCC2(CCCC2)C1=O ZINC000872575504 589953395 /nfs/dbraw/zinc/95/33/95/589953395.db2.gz XLTIHQXVRBFCAL-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCCN(C)CN1CCC2(CCCC2)C1=O ZINC000872572747 589953620 /nfs/dbraw/zinc/95/36/20/589953620.db2.gz QKERWIRTEOZPQT-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CC[C@H](C)CN(C)CN1CCC2(CCC2)C1=O ZINC000872577970 589953777 /nfs/dbraw/zinc/95/37/77/589953777.db2.gz WAEBYSGWYAQOMR-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN [O-]c1cccc2c(NC[C@H]3C[C@H](O)C3)cc[nH+]c12 ZINC000872719235 589965195 /nfs/dbraw/zinc/96/51/95/589965195.db2.gz FSKBWKHVIIBNGR-MGCOHNPYSA-N 0 1 244.294 2.123 20 0 BEADMN CCOc1cccc(F)c1CN[C@@H](CC)CO ZINC000873111526 589984771 /nfs/dbraw/zinc/98/47/71/589984771.db2.gz CMRRNQDCIKDBOB-JTQLQIEISA-N 0 1 241.306 2.085 20 0 BEADMN CC(C)(NCc1ccon1)[C@@H]1CCCCO1 ZINC000873149124 589987019 /nfs/dbraw/zinc/98/70/19/589987019.db2.gz NCAITZYVNRPZPY-NSHDSACASA-N 0 1 224.304 2.112 20 0 BEADMN c1nc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)cs1 ZINC000873157257 589988424 /nfs/dbraw/zinc/98/84/24/589988424.db2.gz VDVDLZNJUFBSFG-USWWRNFRSA-N 0 1 238.356 2.190 20 0 BEADMN c1nc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)cs1 ZINC000873157255 589988438 /nfs/dbraw/zinc/98/84/38/589988438.db2.gz VDVDLZNJUFBSFG-ADEWGFFLSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)[nH]c1C ZINC000873156035 589988521 /nfs/dbraw/zinc/98/85/21/589988521.db2.gz SBAHAYDXAWRQCS-RWMBFGLXSA-N 0 1 249.358 2.074 20 0 BEADMN Cc1cc(CNCC2(OC(C)C)CCC2)on1 ZINC000873167421 589989241 /nfs/dbraw/zinc/98/92/41/589989241.db2.gz JYRKIICXOFUHKC-UHFFFAOYSA-N 0 1 238.331 2.420 20 0 BEADMN CC[C@H](NCc1cocn1)[C@@H](O)c1ccccc1 ZINC000873192799 589991271 /nfs/dbraw/zinc/99/12/71/589991271.db2.gz HGOXLKNRYLONLJ-KBPBESRZSA-N 0 1 246.310 2.276 20 0 BEADMN CC[C@H](NCc1cc[nH]n1)[C@H](O)c1ccccc1 ZINC000873195160 589991428 /nfs/dbraw/zinc/99/14/28/589991428.db2.gz YKBHYCVOQQFYLL-UONOGXRCSA-N 0 1 245.326 2.012 20 0 BEADMN c1cc(CNC2CC(Nc3ccccc3)C2)n[nH]1 ZINC000873190858 589991603 /nfs/dbraw/zinc/99/16/03/589991603.db2.gz LPYKTKYZCIMOSE-UHFFFAOYSA-N 0 1 242.326 2.142 20 0 BEADMN CC(C)CO[C@@H]1CCN(C/C=C/Cl)C1 ZINC000124531843 590047160 /nfs/dbraw/zinc/04/71/60/590047160.db2.gz VCLVCIGJEIQFAA-JOAKQRRISA-N 0 1 217.740 2.486 20 0 BEADMN CC(C)CO[C@H]1CCN(C/C=C/Cl)C1 ZINC000124532042 590047354 /nfs/dbraw/zinc/04/73/54/590047354.db2.gz VCLVCIGJEIQFAA-TZNOJPMFSA-N 0 1 217.740 2.486 20 0 BEADMN COC[C@@H](C)OC(=O)c1c2cn[nH]c2ccc1C ZINC000873488581 590050172 /nfs/dbraw/zinc/05/01/72/590050172.db2.gz QVBARNSGZZGKSB-SECBINFHSA-N 0 1 248.282 2.063 20 0 BEADMN Cc1cncc([C@H]2CCC[N@H+]2CCCC(=O)[O-])c1 ZINC000873647988 590066275 /nfs/dbraw/zinc/06/62/75/590066275.db2.gz MBZOHDHRQBKJIT-CYBMUJFWSA-N 0 1 248.326 2.392 20 0 BEADMN Cc1cncc([C@@H]2CCC[N@H+]2CCC(=O)[O-])c1 ZINC000873647101 590066789 /nfs/dbraw/zinc/06/67/89/590066789.db2.gz AWHLNGHTHQWYRD-LBPRGKRZSA-N 0 1 234.299 2.002 20 0 BEADMN CONC(=O)Cc1csc(C2CCCC2)n1 ZINC000873945953 590080118 /nfs/dbraw/zinc/08/01/18/590080118.db2.gz DBFMCSQVQFJNKW-UHFFFAOYSA-N 0 1 240.328 2.021 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(C)C)s1 ZINC000874153824 590094416 /nfs/dbraw/zinc/09/44/16/590094416.db2.gz GCXXXVTUECDXJH-VHSXEESVSA-N 0 1 240.372 2.184 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)CN1CCCC1 ZINC000874189196 590096403 /nfs/dbraw/zinc/09/64/03/590096403.db2.gz UVJXJIGTFWRNBB-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccco1)c1cncs1 ZINC000125162208 590142791 /nfs/dbraw/zinc/14/27/91/590142791.db2.gz YMAGEIURLMVRDD-RKDXNWHRSA-N 0 1 238.312 2.120 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)CN(C)C)C1 ZINC000874909234 590154049 /nfs/dbraw/zinc/15/40/49/590154049.db2.gz CEAPFSNZTGSTDM-BXUZGUMPSA-N 0 1 240.391 2.269 20 0 BEADMN CCC1(C(=O)NOc2ccccc2F)CC1 ZINC000874912444 590155027 /nfs/dbraw/zinc/15/50/27/590155027.db2.gz XCJDSUFXPGUVPN-UHFFFAOYSA-N 0 1 223.247 2.426 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000125576794 590171308 /nfs/dbraw/zinc/17/13/08/590171308.db2.gz RPUIIZDZRMAEHL-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCCn1cc(CN(C)C2CCCC2)nn1 ZINC000876553599 590215152 /nfs/dbraw/zinc/21/51/52/590215152.db2.gz VGVAVPQZSBFBPD-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN COCC[N@@H+](C)CCc1cc(C)cc(C)c1 ZINC000876565602 590216888 /nfs/dbraw/zinc/21/68/88/590216888.db2.gz ZWYBENHWSMHIAW-UHFFFAOYSA-N 0 1 221.344 2.424 20 0 BEADMN CCCn1cc(CN(CC2CC2)C(C)C)nn1 ZINC000876605887 590221286 /nfs/dbraw/zinc/22/12/86/590221286.db2.gz QEGRIRBQXIRSLH-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCN(Cc1cc(OC)cnc1F)CC1CC1 ZINC000876732437 590234073 /nfs/dbraw/zinc/23/40/73/590234073.db2.gz WDLSZIYNUNENIQ-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN Cn1nc2c(c1CN1CCC1(C)C)CCCC2 ZINC000876743433 590236699 /nfs/dbraw/zinc/23/66/99/590236699.db2.gz HDNSAMFLRVWZPG-UHFFFAOYSA-N 0 1 233.359 2.283 20 0 BEADMN COc1cnc(F)c(CN2C[C@H](C)[C@@H](C)C2)c1 ZINC000876747412 590237289 /nfs/dbraw/zinc/23/72/89/590237289.db2.gz CHGBDSUPBZKDJX-UWVGGRQHSA-N 0 1 238.306 2.317 20 0 BEADMN CCCn1cc(CN2CC[C@](C)(CC)C2)nn1 ZINC000876781083 590240555 /nfs/dbraw/zinc/24/05/55/590240555.db2.gz JEETUEJGQKRUGD-ZDUSSCGKSA-N 0 1 236.363 2.310 20 0 BEADMN CSCCNCc1nc(Cl)cs1 ZINC000876895051 590255278 /nfs/dbraw/zinc/25/52/78/590255278.db2.gz YFXZWDXVSXXPJH-UHFFFAOYSA-N 0 1 222.766 2.249 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000876974269 590263448 /nfs/dbraw/zinc/26/34/48/590263448.db2.gz BOKUVDQTCZCOLD-AAEUAGOBSA-N 0 1 236.315 2.209 20 0 BEADMN CC(C)C[C@@H](O)CNCc1cc(C2CC2)no1 ZINC000876988298 590265825 /nfs/dbraw/zinc/26/58/25/590265825.db2.gz YEPVZBWLEGZWIR-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCNC[C@@H]1C(C)C ZINC000876999043 590267323 /nfs/dbraw/zinc/26/73/23/590267323.db2.gz VCZBRUAETCEIRK-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCNC[C@H]1C(C)C ZINC000876999048 590267647 /nfs/dbraw/zinc/26/76/47/590267647.db2.gz VCZBRUAETCEIRK-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@](O)(CNCc1nc(Cl)cs1)C1CC1 ZINC000877029288 590271785 /nfs/dbraw/zinc/27/17/85/590271785.db2.gz YHORKYSETYSTRL-SNVBAGLBSA-N 0 1 246.763 2.047 20 0 BEADMN CCC(CC)(CO)NCc1nc(Cl)cs1 ZINC000877037694 590272699 /nfs/dbraw/zinc/27/26/99/590272699.db2.gz VSGWACFZTXAYGX-UHFFFAOYSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1cc(CNCc2nc(Cl)cs2)n[nH]1 ZINC000877058264 590275525 /nfs/dbraw/zinc/27/55/25/590275525.db2.gz WVXUDPIIQJKZFK-UHFFFAOYSA-N 0 1 242.735 2.118 20 0 BEADMN C[C@@H](CNCc1nc(Cl)cs1)C[C@H](C)O ZINC000877059306 590276323 /nfs/dbraw/zinc/27/63/23/590276323.db2.gz UIPZYVVTWBAELK-SFYZADRCSA-N 0 1 248.779 2.293 20 0 BEADMN Cc1ccc(NCCC[C@H]2CCO2)c(N(C)C)n1 ZINC000877123134 590289092 /nfs/dbraw/zinc/28/90/92/590289092.db2.gz OFBYSGOBDXSMAJ-LBPRGKRZSA-N 0 1 249.358 2.437 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1nc(Cl)cs1 ZINC000877321259 590315410 /nfs/dbraw/zinc/31/54/10/590315410.db2.gz HZGUTNWISZIQHK-SSDOTTSWSA-N 0 1 248.779 2.293 20 0 BEADMN CC[C@@](C)(CN1CCC[C@@H]1c1ncc[nH]1)OC ZINC000877343964 590318155 /nfs/dbraw/zinc/31/81/55/590318155.db2.gz BKVSHJZDEUDFHJ-YPMHNXCESA-N 0 1 237.347 2.362 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCC[C@H]2CCO2)n1 ZINC000877344897 590318584 /nfs/dbraw/zinc/31/85/84/590318584.db2.gz QVPRKLKJKYGCMF-RYUDHWBXSA-N 0 1 235.331 2.116 20 0 BEADMN CCCn1cc(CN2CCCC[C@H](C)C2)nn1 ZINC000877408963 590323622 /nfs/dbraw/zinc/32/36/22/590323622.db2.gz WMMAWPQLTAPMLK-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2CCCC[C@@H](C)C2)nn1 ZINC000877408962 590323770 /nfs/dbraw/zinc/32/37/70/590323770.db2.gz WMMAWPQLTAPMLK-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc(Cl)cs1 ZINC000877465749 590329491 /nfs/dbraw/zinc/32/94/91/590329491.db2.gz WHAHRAWDZQVHRQ-NKWVEPMBSA-N 0 1 234.752 2.310 20 0 BEADMN CC(C)C1(CN2CCO[C@H](C(F)F)C2)CC1 ZINC000877502401 590341496 /nfs/dbraw/zinc/34/14/96/590341496.db2.gz IFRCLHZEUHSKLG-JTQLQIEISA-N 0 1 233.302 2.389 20 0 BEADMN CSC(C)(C)CCN1CCOCC12CC2 ZINC000877504943 590342450 /nfs/dbraw/zinc/34/24/50/590342450.db2.gz VAOOSHNHYLGDOR-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN OC1(CCNCc2nc(Cl)cs2)CCC1 ZINC000877508252 590342616 /nfs/dbraw/zinc/34/26/16/590342616.db2.gz UZYOUDALNYUDHO-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN CC(C)[C@](C)(CO)NCc1nc(Cl)cs1 ZINC000877539436 590350766 /nfs/dbraw/zinc/35/07/66/590350766.db2.gz NFCJQPRCBRPWNC-JTQLQIEISA-N 0 1 248.779 2.293 20 0 BEADMN COc1cccc(C)c1CNCc1cncn1C ZINC000877537515 590350872 /nfs/dbraw/zinc/35/08/72/590350872.db2.gz MYFWXQYMJKWHPH-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN Cc1nocc1CNC[C@@H]1CC1(Cl)Cl ZINC000877564101 590361073 /nfs/dbraw/zinc/36/10/73/590361073.db2.gz YJDJUEGRPAFZIB-QMMMGPOBSA-N 0 1 235.114 2.266 20 0 BEADMN CCCn1cc(CN2CC(C)(C)C[C@@H]2C)nn1 ZINC000877591509 590369406 /nfs/dbraw/zinc/36/94/06/590369406.db2.gz VUGZYQQTMGOXAB-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN OC[C@@H](NCc1nc(Cl)cs1)C1CCC1 ZINC000877622957 590377156 /nfs/dbraw/zinc/37/71/56/590377156.db2.gz VWVRLEGBUQDQKO-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN COc1cccc(C)c1CNC1CSC1 ZINC000877634363 590380130 /nfs/dbraw/zinc/38/01/30/590380130.db2.gz JIRUGGFNCUBQAN-UHFFFAOYSA-N 0 1 223.341 2.209 20 0 BEADMN CC1(CN2CC3(C2)CCCO3)CCCC1 ZINC000877654596 590385176 /nfs/dbraw/zinc/38/51/76/590385176.db2.gz RWOXXVBPYLVDQI-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CSC1CCN(Cc2ccc(C)nn2)CC1 ZINC000877663549 590388873 /nfs/dbraw/zinc/38/88/73/590388873.db2.gz UEXTZLUKCRBEAM-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CC1(NCc2cccc3ncccc23)COC1 ZINC000877690556 590393216 /nfs/dbraw/zinc/39/32/16/590393216.db2.gz ALVYRWIOSIQICP-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN c1csc(CN2CC[C@@H]3CSC[C@@H]3C2)n1 ZINC000877737947 590404750 /nfs/dbraw/zinc/40/47/50/590404750.db2.gz JAIPPNMWVQEBLU-ZJUUUORDSA-N 0 1 240.397 2.328 20 0 BEADMN Cc1cc(CN2C[C@H](O)CC(C)(C)C2)sn1 ZINC000877751625 590416218 /nfs/dbraw/zinc/41/62/18/590416218.db2.gz IBNDQPHICILXLV-SNVBAGLBSA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@@H](C[C@H](C)O)NCc1nc2ccccc2o1 ZINC000877778163 590422885 /nfs/dbraw/zinc/42/28/85/590422885.db2.gz KVMBJDMWNGFBSZ-QWRGUYRKSA-N 0 1 248.326 2.467 20 0 BEADMN CCn1ncc(CN(C)C[C@H](C)C(C)(C)C)n1 ZINC000877824017 590428615 /nfs/dbraw/zinc/42/86/15/590428615.db2.gz DDNDUUBCBZZPHS-NSHDSACASA-N 0 1 238.379 2.412 20 0 BEADMN CCCCN(C)CCCS(=O)(=O)C(C)(C)C ZINC000877900050 590442833 /nfs/dbraw/zinc/44/28/33/590442833.db2.gz BOXXLAAGNABTIH-UHFFFAOYSA-N 0 1 249.420 2.322 20 0 BEADMN C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H](C)O1 ZINC000877900898 590443517 /nfs/dbraw/zinc/44/35/17/590443517.db2.gz GDWNHZCPDXLXOL-XQQFMLRXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)C[C@H](C)O1 ZINC000877900898 590443520 /nfs/dbraw/zinc/44/35/20/590443520.db2.gz GDWNHZCPDXLXOL-XQQFMLRXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)[C@@H](C)CO1 ZINC000877920547 590447124 /nfs/dbraw/zinc/44/71/24/590447124.db2.gz QHNFLPKSHJJTBR-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)[C@@H](C)C1CC1 ZINC000877929693 590450391 /nfs/dbraw/zinc/45/03/91/590450391.db2.gz KWXYPSKHHMGNLZ-NSHDSACASA-N 0 1 247.342 2.059 20 0 BEADMN CC(C)CCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000877950154 590454662 /nfs/dbraw/zinc/45/46/62/590454662.db2.gz CBZYPHFXTFKMPO-ZWNOBZJWSA-N 0 1 249.358 2.238 20 0 BEADMN C[N@@H+](CCO)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000877949455 590454826 /nfs/dbraw/zinc/45/48/26/590454826.db2.gz GGVCBUCRHYWTHN-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)Nc1ncccc1C ZINC000877954155 590456305 /nfs/dbraw/zinc/45/63/05/590456305.db2.gz VBQPNTDTXFDZTJ-GFCCVEGCSA-N 0 1 249.358 2.449 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC000877956877 590457590 /nfs/dbraw/zinc/45/75/90/590457590.db2.gz BSVGRHPBFXDTIK-CRWXNKLISA-N 0 1 239.359 2.055 20 0 BEADMN CCC(CC)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877962952 590459658 /nfs/dbraw/zinc/45/96/58/590459658.db2.gz BPSMOZBCGPPIFY-TVQRCGJNSA-N 0 1 249.358 2.380 20 0 BEADMN CCN(C#N)CCN(C)CCc1ccccc1F ZINC000878091715 590490710 /nfs/dbraw/zinc/49/07/10/590490710.db2.gz HUQYAZAHHLIWDN-UHFFFAOYSA-N 0 1 249.333 2.103 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)Nc1ncccc1C ZINC000878093341 590492030 /nfs/dbraw/zinc/49/20/30/590492030.db2.gz ILTISQBHBSRLAT-NSHDSACASA-N 0 1 249.358 2.306 20 0 BEADMN C[C@H]1CCCN1CCCS(=O)(=O)C(C)(C)C ZINC000878150768 590507262 /nfs/dbraw/zinc/50/72/62/590507262.db2.gz OYGQHBYYESJMEM-NSHDSACASA-N 0 1 247.404 2.074 20 0 BEADMN CC1(C)CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000878154644 590508485 /nfs/dbraw/zinc/50/84/85/590508485.db2.gz YPCNBUFMKPPUSJ-FRRDWIJNSA-N 0 1 239.359 2.197 20 0 BEADMN CN(CCCSC(C)(C)C)Cc1nnc[nH]1 ZINC000878177637 590515941 /nfs/dbraw/zinc/51/59/41/590515941.db2.gz YCUUPLRXHCXDPK-UHFFFAOYSA-N 0 1 242.392 2.158 20 0 BEADMN C[C@H](CN(C)Cc1nnc[nH]1)CC(C)(C)C ZINC000878175787 590516064 /nfs/dbraw/zinc/51/60/64/590516064.db2.gz BVQRMGUZZBSVMX-JTQLQIEISA-N 0 1 224.352 2.309 20 0 BEADMN CN(CC[C@@H]1CCCC1(F)F)Cc1nnc[nH]1 ZINC000878175890 590516462 /nfs/dbraw/zinc/51/64/62/590516462.db2.gz FJRXDJDDAFEICY-VIFPVBQESA-N 0 1 244.289 2.062 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2CCC(C)(C)CO2)[C@H]1C ZINC000878198125 590523369 /nfs/dbraw/zinc/52/33/69/590523369.db2.gz SRYMSDKWMZKWIP-AVGNSLFASA-N 0 1 241.375 2.301 20 0 BEADMN CC(=O)CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000878223819 590526038 /nfs/dbraw/zinc/52/60/38/590526038.db2.gz SFVMCDPJJSUYDU-LSDHHAIUSA-N 0 1 247.338 2.164 20 0 BEADMN C=C/C=C\CCN(C)C(C)(C)C(=O)OC ZINC000878239071 590528691 /nfs/dbraw/zinc/52/86/91/590528691.db2.gz AHWXISFXJZESTQ-FPLPWBNLSA-N 0 1 211.305 2.002 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@H]1CCCC(C)(C)O1 ZINC000878263505 590530176 /nfs/dbraw/zinc/53/01/76/590530176.db2.gz LZNCNIKJCHXJPU-GFCCVEGCSA-N 0 1 237.347 2.189 20 0 BEADMN C[C@@H]1CCOCCN1CCCOC(F)(F)F ZINC000878372419 590555662 /nfs/dbraw/zinc/55/56/62/590555662.db2.gz BAWCOFGXXBYXDI-SECBINFHSA-N 0 1 241.253 2.024 20 0 BEADMN C=C/C=C/CCN1CCO[C@H](COC(C)C)C1 ZINC000878448958 590569560 /nfs/dbraw/zinc/56/95/60/590569560.db2.gz XKUBQUSYTWPPGT-GJBLVYBDSA-N 0 1 239.359 2.245 20 0 BEADMN O=C(C[N@H+]1CCCC12CCC2)Nc1ccccn1 ZINC000878518729 590585547 /nfs/dbraw/zinc/58/55/47/590585547.db2.gz QACZKLZXCRGPJS-UHFFFAOYSA-N 0 1 245.326 2.039 20 0 BEADMN O=C(CN1CCCC12CCC2)Nc1ccccn1 ZINC000878518729 590585549 /nfs/dbraw/zinc/58/55/49/590585549.db2.gz QACZKLZXCRGPJS-UHFFFAOYSA-N 0 1 245.326 2.039 20 0 BEADMN C=C/C=C/CCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000878606179 590594877 /nfs/dbraw/zinc/59/48/77/590594877.db2.gz ONBFAZZFKKHYDG-UUIBMTOLSA-N 0 1 241.400 2.350 20 0 BEADMN C=C/C=C/CCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000878606176 590595054 /nfs/dbraw/zinc/59/50/54/590595054.db2.gz ONBFAZZFKKHYDG-NJFKZMIQSA-N 0 1 241.400 2.350 20 0 BEADMN C=C/C=C/CCN1CCOC[C@@H]1CC(F)F ZINC000878611131 590595363 /nfs/dbraw/zinc/59/53/63/590595363.db2.gz JVNGSMNFJXUUAK-UFFNRZRYSA-N 0 1 231.286 2.475 20 0 BEADMN C=C/C=C\CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000878645347 590600438 /nfs/dbraw/zinc/60/04/38/590600438.db2.gz JVLFGJCSPOPFRG-JMEBYUIHSA-N 0 1 223.316 2.145 20 0 BEADMN CC1(C)CCC[C@H](CN2CC[C@H](F)C2)O1 ZINC000878663037 590602986 /nfs/dbraw/zinc/60/29/86/590602986.db2.gz GHLHWOWIAJNJTP-WDEREUQCSA-N 0 1 215.312 2.378 20 0 BEADMN CC1(C)CCC[C@@H](CN2CC[C@H](F)C2)O1 ZINC000878663036 590603023 /nfs/dbraw/zinc/60/30/23/590603023.db2.gz GHLHWOWIAJNJTP-QWRGUYRKSA-N 0 1 215.312 2.378 20 0 BEADMN CC(C)N(C[C@@H]1CC2(CCC2)CO1)C1COC1 ZINC000878657768 590603790 /nfs/dbraw/zinc/60/37/90/590603790.db2.gz JCYYYYLKLNKEFI-ZDUSSCGKSA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)N(C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1COC1 ZINC000878657305 590603998 /nfs/dbraw/zinc/60/39/98/590603998.db2.gz CRUZNIAZKCRENE-FPMFFAJLSA-N 0 1 239.359 2.053 20 0 BEADMN CC1(C)CCC[C@@H](CN2CC[C@@H](F)C2)O1 ZINC000878663035 590605661 /nfs/dbraw/zinc/60/56/61/590605661.db2.gz GHLHWOWIAJNJTP-MNOVXSKESA-N 0 1 215.312 2.378 20 0 BEADMN CO[C@H](CN1CCC=C(Cl)C1)C1CC1 ZINC000878790537 590620676 /nfs/dbraw/zinc/62/06/76/590620676.db2.gz OQJXZYKEMDUOIL-LLVKDONJSA-N 0 1 215.724 2.240 20 0 BEADMN CCc1nc([C@@H](C)N2CCC=C(Cl)C2)n[nH]1 ZINC000878790028 590622480 /nfs/dbraw/zinc/62/24/80/590622480.db2.gz BFRPPXIKVHUOOJ-MRVPVSSYSA-N 0 1 240.738 2.257 20 0 BEADMN C[N@H+]1CCN(C/C=C/Cl)C[C@@H]1C(C)(C)C ZINC000878841787 590630818 /nfs/dbraw/zinc/63/08/18/590630818.db2.gz ZGMOHFAAWYLMQD-MVIFTORASA-N 0 1 230.783 2.401 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1scnc1Cl ZINC000878885110 590639970 /nfs/dbraw/zinc/63/99/70/590639970.db2.gz VZKMSCSFYSLRPS-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN C=C/C=C\CCN(CCF)CCOC ZINC000878920108 590651357 /nfs/dbraw/zinc/65/13/57/590651357.db2.gz SODSADNHLOTFPK-PLNGDYQASA-N 0 1 201.285 2.037 20 0 BEADMN COC(=O)C12CC(C1)CN2CC1CC2(CCC2)C1 ZINC000878918373 590651463 /nfs/dbraw/zinc/65/14/63/590651463.db2.gz MFVWYCFSQNXHIG-UHFFFAOYSA-N 0 1 249.354 2.204 20 0 BEADMN C[C@H](CN(C)Cc1cn(C)nn1)CC(C)(C)C ZINC000878950356 590659106 /nfs/dbraw/zinc/65/91/06/590659106.db2.gz RQTKSBRNGGWADW-NSHDSACASA-N 0 1 238.379 2.319 20 0 BEADMN C=C/C=C/CCN1CCO[C@@H](CCF)C1 ZINC000879053640 590688122 /nfs/dbraw/zinc/68/81/22/590688122.db2.gz FKUQIZINKYEORI-PCAWENJQSA-N 0 1 213.296 2.179 20 0 BEADMN C=C/C=C\CCN1CCO[C@H](CCF)C1 ZINC000879053641 590689562 /nfs/dbraw/zinc/68/95/62/590689562.db2.gz FKUQIZINKYEORI-VSQXVHSFSA-N 0 1 213.296 2.179 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000879325252 590745933 /nfs/dbraw/zinc/74/59/33/590745933.db2.gz JROUNUKNHFSZOP-FZMZJTMJSA-N 0 1 249.358 2.093 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2cncs2)C1 ZINC000879325521 590746202 /nfs/dbraw/zinc/74/62/02/590746202.db2.gz KSTHFYBOPCXFTK-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2ccncc2F)C1 ZINC000879327216 590747389 /nfs/dbraw/zinc/74/73/89/590747389.db2.gz VMXIQXLGDKPHQI-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)COC(=O)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530050 590791962 /nfs/dbraw/zinc/79/19/62/590791962.db2.gz KOJALNXKNSUCOF-BETUJISGSA-N 0 1 237.343 2.084 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)[nH]1 ZINC000879531189 590793205 /nfs/dbraw/zinc/79/32/05/590793205.db2.gz YTLCURQVVHCIKB-UTUOFQBUSA-N 0 1 246.358 2.326 20 0 BEADMN CC(C)=CCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879721569 590855755 /nfs/dbraw/zinc/85/57/55/590855755.db2.gz MBSYXFJVFJUNSG-ZWNOBZJWSA-N 0 1 247.342 2.158 20 0 BEADMN Cc1cncc([C@@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000879752275 590863340 /nfs/dbraw/zinc/86/33/40/590863340.db2.gz RDRKPDUWPSRLET-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN C[S@](=O)CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000879790059 590870120 /nfs/dbraw/zinc/87/01/20/590870120.db2.gz LPPNHKHQSGIUEG-CJNGLKHVSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879825323 590880698 /nfs/dbraw/zinc/88/06/98/590880698.db2.gz GTUXBHBTLHVMRY-VWMGYNLJSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1csc([C@@H]2CCN(Cc3ccno3)C2)n1 ZINC000880010842 590908520 /nfs/dbraw/zinc/90/85/20/590908520.db2.gz YKAXDQLHSUWOAT-SNVBAGLBSA-N 0 1 249.339 2.429 20 0 BEADMN CSCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880044063 590913880 /nfs/dbraw/zinc/91/38/80/590913880.db2.gz AMDNQXBIPUYAAX-QMMMGPOBSA-N 0 1 243.294 2.003 20 0 BEADMN CCC1(CC)CCC[N@H+]1CCS(=O)(=O)CC ZINC000880095714 590924640 /nfs/dbraw/zinc/92/46/40/590924640.db2.gz LXNIYWBLWMBNCM-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CCC1(CC)CCC[N@H+]1CC(=O)NCC1CC1 ZINC000880095221 590924862 /nfs/dbraw/zinc/92/48/62/590924862.db2.gz YXZKVWUYEGXFBB-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCC1(CC)CCC[N@H+]1Cc1nccc(N)n1 ZINC000880095137 590925034 /nfs/dbraw/zinc/92/50/34/590925034.db2.gz WJHZTJNAUHBGHQ-UHFFFAOYSA-N 0 1 234.347 2.213 20 0 BEADMN CCc1nocc1CN(C)C1(COC)CCC1 ZINC000880185106 590952504 /nfs/dbraw/zinc/95/25/04/590952504.db2.gz FNZJYUKTIBWLEU-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CC/C=C\CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880195327 590956316 /nfs/dbraw/zinc/95/63/16/590956316.db2.gz QYDPSINHNAMNAI-GQUPLCJFSA-N 0 1 247.342 2.158 20 0 BEADMN CC1(C)CC(C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000880196305 590956889 /nfs/dbraw/zinc/95/68/89/590956889.db2.gz LWWYSEZTYFPREL-UHFFFAOYSA-N 0 1 244.298 2.333 20 0 BEADMN COc1cc(CN2CCC[C@H](CF)C2)sn1 ZINC000880237394 590968707 /nfs/dbraw/zinc/96/87/07/590968707.db2.gz BLIOWEGLFMFJCL-SECBINFHSA-N 0 1 244.335 2.333 20 0 BEADMN Cc1cccc(CN2CCC(F)CC2)n1 ZINC000880239810 590972450 /nfs/dbraw/zinc/97/24/50/590972450.db2.gz RVPDTRYALMAKJR-UHFFFAOYSA-N 0 1 208.280 2.324 20 0 BEADMN Cc1cnc([C@H](C)N2CCC(F)CC2)cn1 ZINC000880239274 590972941 /nfs/dbraw/zinc/97/29/41/590972941.db2.gz DJXZSWACKBMRRM-JTQLQIEISA-N 0 1 223.295 2.280 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC(F)CC1 ZINC000880242647 590975222 /nfs/dbraw/zinc/97/52/22/590975222.db2.gz GQLUOURNRHACBC-QWRGUYRKSA-N 0 1 244.354 2.114 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880242645 590975592 /nfs/dbraw/zinc/97/55/92/590975592.db2.gz GQLUOURNRHACBC-GHMZBOCLSA-N 0 1 244.354 2.114 20 0 BEADMN CCCN(CCC)C(=O)CN1CCC(F)CC1 ZINC000880243432 590976977 /nfs/dbraw/zinc/97/69/77/590976977.db2.gz IHDPNBUYYLVTML-UHFFFAOYSA-N 0 1 244.354 2.069 20 0 BEADMN FC[C@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000880293211 590987253 /nfs/dbraw/zinc/98/72/53/590987253.db2.gz ZVODCJMKHOQPLO-LLVKDONJSA-N 0 1 233.290 2.126 20 0 BEADMN Cc1cccn2cc(CN3CC[C@@H](CF)C3)nc12 ZINC000880296060 590991572 /nfs/dbraw/zinc/99/15/72/590991572.db2.gz SOGJYBLUVNSQKY-LBPRGKRZSA-N 0 1 247.317 2.434 20 0 BEADMN FC[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000880299320 590993957 /nfs/dbraw/zinc/99/39/57/590993957.db2.gz GCPKGWFBAGBOKK-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](CF)C2)o1 ZINC000880299388 590993986 /nfs/dbraw/zinc/99/39/86/590993986.db2.gz SARQWXSUFAXJJL-UWVGGRQHSA-N 0 1 212.268 2.335 20 0 BEADMN FC[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000880300436 590996638 /nfs/dbraw/zinc/99/66/38/590996638.db2.gz SGOUBSZCXWXXQR-JTQLQIEISA-N 0 1 212.243 2.012 20 0 BEADMN C[C@H]1C[C@@H]1CNC1(c2ncccn2)CCC1 ZINC000880367537 591012841 /nfs/dbraw/zinc/01/28/41/591012841.db2.gz GZBKYELNGHMFQU-WDEREUQCSA-N 0 1 217.316 2.101 20 0 BEADMN COC(=O)CN1CCC[C@]1(C)c1ccccc1 ZINC000880370948 591013578 /nfs/dbraw/zinc/01/35/78/591013578.db2.gz XKIMLRVAYRFCHB-CQSZACIVSA-N 0 1 233.311 2.171 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccncc1Cl ZINC000880440317 591042172 /nfs/dbraw/zinc/04/21/72/591042172.db2.gz ZOFBTBRXJNMWAQ-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN c1cc(CN2CCC3(CCCCO3)CC2)on1 ZINC000880454940 591048830 /nfs/dbraw/zinc/04/88/30/591048830.db2.gz RCEIRGGWCYCNIZ-UHFFFAOYSA-N 0 1 236.315 2.210 20 0 BEADMN CC(C)Oc1cccc(CN2CC=C[C@@H]2CO)c1 ZINC000880485070 591059594 /nfs/dbraw/zinc/05/95/94/591059594.db2.gz DMZSIZIRFSPISX-CQSZACIVSA-N 0 1 247.338 2.207 20 0 BEADMN CSc1ccc(CN2CC=C[C@H]2CO)cc1 ZINC000880485913 591061105 /nfs/dbraw/zinc/06/11/05/591061105.db2.gz LWEOKLATZBOKJI-LBPRGKRZSA-N 0 1 235.352 2.141 20 0 BEADMN CSc1cccc(CN2CC=C[C@H]2CO)c1 ZINC000880493824 591070422 /nfs/dbraw/zinc/07/04/22/591070422.db2.gz GILDALLHBKQQPS-LBPRGKRZSA-N 0 1 235.352 2.141 20 0 BEADMN c1csc(CN[C@@H]2CCC[C@]23CCCO3)n1 ZINC000880507703 591080607 /nfs/dbraw/zinc/08/06/07/591080607.db2.gz WTKKRJCZDUZJJB-PWSUYJOCSA-N 0 1 238.356 2.334 20 0 BEADMN CC(C)C[C@@H](C(N)=O)N(C)Cc1ccccc1 ZINC000880587751 591101870 /nfs/dbraw/zinc/10/18/70/591101870.db2.gz NTIDJQPQMHJXDZ-ZDUSSCGKSA-N 0 1 234.343 2.018 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)C/C=C(\C)C(=O)[O-] ZINC000211256680 591152555 /nfs/dbraw/zinc/15/25/55/591152555.db2.gz IFJHBWSGFQGDKM-UEUZTHOGSA-N 0 1 213.321 2.385 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccc(CF)cc2)nn1 ZINC000881302045 591183955 /nfs/dbraw/zinc/18/39/55/591183955.db2.gz JMCDHXPRDCOMEK-JTQLQIEISA-N 0 1 248.305 2.076 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccc(CF)cc2)nn1 ZINC000881302046 591184328 /nfs/dbraw/zinc/18/43/28/591184328.db2.gz JMCDHXPRDCOMEK-SNVBAGLBSA-N 0 1 248.305 2.076 20 0 BEADMN CNC(C)(C)c1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000881326936 591192390 /nfs/dbraw/zinc/19/23/90/591192390.db2.gz UDMKTCFVCZCBRV-SNVBAGLBSA-N 0 1 238.379 2.415 20 0 BEADMN CNC(C)(C)c1cn(CC2CC3(CCC3)C2)nn1 ZINC000881426846 591204134 /nfs/dbraw/zinc/20/41/34/591204134.db2.gz VEBBHUNVTPOYNX-UHFFFAOYSA-N 0 1 248.374 2.313 20 0 BEADMN C[C@@H]1CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000881480995 591211531 /nfs/dbraw/zinc/21/15/31/591211531.db2.gz GAUSRGXJZOUATR-ZCFIWIBFSA-N 0 1 239.706 2.175 20 0 BEADMN CCC[C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC000881530163 591230804 /nfs/dbraw/zinc/23/08/04/591230804.db2.gz WJLJJPYWNGVION-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](C)CCNC(=O)CCc1cnc[nH]1 ZINC000881532557 591231674 /nfs/dbraw/zinc/23/16/74/591231674.db2.gz SDHFCRDIEULCLE-NSHDSACASA-N 0 1 237.347 2.285 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC000882479454 591356812 /nfs/dbraw/zinc/35/68/12/591356812.db2.gz WPDQYCOJQZXREZ-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC000882486340 591362444 /nfs/dbraw/zinc/36/24/44/591362444.db2.gz QHSZRGHXVMIICV-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)/C=C(/C)C(C)(C)C ZINC000882488031 591364032 /nfs/dbraw/zinc/36/40/32/591364032.db2.gz NJEVQPHVNDKCIB-UCQJPZFISA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H](CC(=O)NC[C@@H]1CCN1CC)C(C)C ZINC000882487029 591364927 /nfs/dbraw/zinc/36/49/27/591364927.db2.gz QZEHTAXEKWOUOQ-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC000882489290 591367788 /nfs/dbraw/zinc/36/77/88/591367788.db2.gz AAISLGYWDRWDCC-GXTWGEPZSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H](C)CCC(=O)NC[C@H]1CCN1CC ZINC000882492902 591373689 /nfs/dbraw/zinc/37/36/89/591373689.db2.gz URUVNVLSNOXHNY-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCc1ccc(NC(=O)c2[nH]c(C)nc2C)nc1 ZINC000882722281 591421319 /nfs/dbraw/zinc/42/13/19/591421319.db2.gz JOFHHMFHLNFGTQ-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN c1nc2c(ncnc2NCC2(CC3CC3)CC2)[nH]1 ZINC000882774512 591435549 /nfs/dbraw/zinc/43/55/49/591435549.db2.gz KUTOGAQYIHINTR-UHFFFAOYSA-N 0 1 243.314 2.297 20 0 BEADMN CC(C)c1c[nH]c(CNCCc2ccco2)n1 ZINC000882879785 591461878 /nfs/dbraw/zinc/46/18/78/591461878.db2.gz MRIMZLIGUBYVMW-UHFFFAOYSA-N 0 1 233.315 2.458 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2c(C)noc2C)no1 ZINC000883015976 591514949 /nfs/dbraw/zinc/51/49/49/591514949.db2.gz KFNIQFIHYBZASY-MRVPVSSYSA-N 0 1 249.314 2.309 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@]2(C)CCCO2)n1 ZINC000883036218 591522758 /nfs/dbraw/zinc/52/27/58/591522758.db2.gz DMGXUNCITZFRLI-ZDUSSCGKSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CSC[C@H]2C)n1 ZINC000883117768 591542634 /nfs/dbraw/zinc/54/26/34/591542634.db2.gz HWCSRSKXNBOXDR-MWLCHTKSSA-N 0 1 239.388 2.374 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CSC[C@@H]2C)n1 ZINC000883117769 591542940 /nfs/dbraw/zinc/54/29/40/591542940.db2.gz HWCSRSKXNBOXDR-ONGXEEELSA-N 0 1 239.388 2.374 20 0 BEADMN CC[C@@H](CNCc1nc(C(C)C)c[nH]1)OC ZINC000883123014 591543542 /nfs/dbraw/zinc/54/35/42/591543542.db2.gz IHWNWIRAOJMDAG-JTQLQIEISA-N 0 1 225.336 2.048 20 0 BEADMN CO[C@H](CNCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883131141 591546975 /nfs/dbraw/zinc/54/69/75/591546975.db2.gz JJUNMUCXGMVKNG-GFCCVEGCSA-N 0 1 237.347 2.048 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@H]2CC[C@@H](C)O2)n1 ZINC000883140544 591550486 /nfs/dbraw/zinc/55/04/86/591550486.db2.gz WVJGUSLATXGUNG-GHMZBOCLSA-N 0 1 237.347 2.190 20 0 BEADMN C/C(=C/C[N@H+]1CCCc2ccccc2C1)C(=O)[O-] ZINC000214553805 591609205 /nfs/dbraw/zinc/60/92/05/591609205.db2.gz NYUDFTBDFNIILY-WQLSENKSSA-N 0 1 245.322 2.466 20 0 BEADMN c1cnc(C2(NC[C@@H]3CCSC3)CCC2)nc1 ZINC000883306625 591610350 /nfs/dbraw/zinc/61/03/50/591610350.db2.gz ZJCXRONLQSRCMV-NSHDSACASA-N 0 1 249.383 2.199 20 0 BEADMN C[C@H]1C[C@@H](NC2(c3ncccn3)CCC2)CCO1 ZINC000883307003 591610466 /nfs/dbraw/zinc/61/04/66/591610466.db2.gz KASMIGYXKSZOJE-RYUDHWBXSA-N 0 1 247.342 2.013 20 0 BEADMN C[C@@H]1C[C@H](NC2(c3ncccn3)CCC2)CCO1 ZINC000883307004 591610522 /nfs/dbraw/zinc/61/05/22/591610522.db2.gz KASMIGYXKSZOJE-VXGBXAGGSA-N 0 1 247.342 2.013 20 0 BEADMN COC[C@H](NC1(c2ncccn2)CCC1)C(C)C ZINC000883312499 591612397 /nfs/dbraw/zinc/61/23/97/591612397.db2.gz GEWGDMWKSVOGKO-LBPRGKRZSA-N 0 1 249.358 2.116 20 0 BEADMN C[C@@H]1OCC[C@@H]1NCc1cc(O)ccc1Cl ZINC000883325130 591616553 /nfs/dbraw/zinc/61/65/53/591616553.db2.gz PFLQWUWGBBPQRH-UFBFGSQYSA-N 0 1 241.718 2.313 20 0 BEADMN CCc1ccc(NCc2n[nH]cc2C)[nH+]c1 ZINC000883384010 591638886 /nfs/dbraw/zinc/63/88/86/591638886.db2.gz KFVDUWHOODTRDP-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN C[C@@H](N[C@H]1CCC12CCOCC2)C(F)F ZINC000883400838 591646950 /nfs/dbraw/zinc/64/69/50/591646950.db2.gz WNJWXJIEOWBQDU-BDAKNGLRSA-N 0 1 219.275 2.189 20 0 BEADMN C[C@]1(c2ccccc2)CCC[N@H+]1CC(=O)[O-] ZINC000883411885 591651576 /nfs/dbraw/zinc/65/15/76/591651576.db2.gz JVGHFQOXBXFZQH-CYBMUJFWSA-N 0 1 219.284 2.082 20 0 BEADMN CC(C)COC(=O)[C@@H](C)N1CCCCCC1 ZINC000132592948 591721195 /nfs/dbraw/zinc/72/11/95/591721195.db2.gz GSZJOSDWHURQLH-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCC(CC)[N@H+](C/C=C(\C)C(=O)[O-])CCOC ZINC000214757221 591780972 /nfs/dbraw/zinc/78/09/72/591780972.db2.gz VVVYKVVEBGGMLF-YRNVUSSQSA-N 0 1 243.347 2.154 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000214757761 591781812 /nfs/dbraw/zinc/78/18/12/591781812.db2.gz CUFATMMJPUFEFR-PCYYEKQGSA-N 0 1 213.321 2.384 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CCC[C@H](C)C2)nn1 ZINC000883998195 591790236 /nfs/dbraw/zinc/79/02/36/591790236.db2.gz YBVAROYZIMMHDJ-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN2[C@H](C)CCC[C@@H]2C)nn1 ZINC000884001058 591792042 /nfs/dbraw/zinc/79/20/42/591792042.db2.gz XSBRPZHBCMPOAS-PHIMTYICSA-N 0 1 222.336 2.061 20 0 BEADMN CCn1cc(CN2CCCCC[C@@H]2C)nn1 ZINC000884002562 591792369 /nfs/dbraw/zinc/79/23/69/591792369.db2.gz MTDUFYPDLVWXSX-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN Cc1cnc(NCc2n[nH]c(C(C)(C)C)n2)o1 ZINC000884527392 591966527 /nfs/dbraw/zinc/96/65/27/591966527.db2.gz PUOAWAYQQHAMCX-UHFFFAOYSA-N 0 1 235.291 2.011 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CC(N(C)C)C1 ZINC000135005573 591972762 /nfs/dbraw/zinc/97/27/62/591972762.db2.gz YLNRNVYVIPGHFG-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC=C(C)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000135388872 592011177 /nfs/dbraw/zinc/01/11/77/592011177.db2.gz BHSOAMWBZNCVQW-ABRRARGCSA-N 0 1 221.304 2.333 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H]1CSC ZINC000135438238 592012963 /nfs/dbraw/zinc/01/29/63/592012963.db2.gz PWTSOQIRLHKVOK-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1CCC1 ZINC000885255920 592060601 /nfs/dbraw/zinc/06/06/01/592060601.db2.gz YNMDJKLIFGNMHV-TVQRCGJNSA-N 0 1 248.326 2.419 20 0 BEADMN CC(C)OC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885260064 592061649 /nfs/dbraw/zinc/06/16/49/592061649.db2.gz CGJIBVLGXSSVCF-KCJUWKMLSA-N 0 1 222.288 2.027 20 0 BEADMN Cc1[nH]nc(CNCc2cccc(C)n2)c1C ZINC000885928485 592109144 /nfs/dbraw/zinc/10/91/44/592109144.db2.gz AOAIEQAQMZZPPM-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H](C)CO1 ZINC000885940118 592110602 /nfs/dbraw/zinc/11/06/02/592110602.db2.gz BHVPMQAYSWHRSA-XCCSTKFXSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H](C)CO1 ZINC000885940118 592110604 /nfs/dbraw/zinc/11/06/04/592110604.db2.gz BHVPMQAYSWHRSA-XCCSTKFXSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@](O)(CN1CCc2sccc2C1)C(F)F ZINC000885942967 592111464 /nfs/dbraw/zinc/11/14/64/592111464.db2.gz UXNFBYKSJBOCGH-LLVKDONJSA-N 0 1 247.310 2.122 20 0 BEADMN CCc1cc(CNCc2cc(C)co2)[nH]n1 ZINC000885983461 592120734 /nfs/dbraw/zinc/12/07/34/592120734.db2.gz HMBADXWTIANULO-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1n[nH]c(C)c1C ZINC000885985653 592121984 /nfs/dbraw/zinc/12/19/84/592121984.db2.gz MNFNUOLHZYQJAQ-SECBINFHSA-N 0 1 248.330 2.482 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1n[nH]c(C)c1C ZINC000885985654 592122358 /nfs/dbraw/zinc/12/23/58/592122358.db2.gz MNFNUOLHZYQJAQ-VIFPVBQESA-N 0 1 248.330 2.482 20 0 BEADMN Cc1coc(CNCCC(=O)OC(C)(C)C)c1 ZINC000885996605 592125418 /nfs/dbraw/zinc/12/54/18/592125418.db2.gz KYOZDUNPAWEJBW-UHFFFAOYSA-N 0 1 239.315 2.409 20 0 BEADMN Cc1coc(CNC[C@@](C)(O)c2ccco2)c1 ZINC000885998745 592126100 /nfs/dbraw/zinc/12/61/00/592126100.db2.gz ATDSNJPOLUHHIG-CYBMUJFWSA-N 0 1 235.283 2.178 20 0 BEADMN Cc1cc(CC(=O)NCC2CCC=CCC2)[nH]n1 ZINC000886019874 592133314 /nfs/dbraw/zinc/13/33/14/592133314.db2.gz HMWBWKANUCPFLA-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN COc1ccnc(NCc2[nH]nc(C)c2C)c1 ZINC000886049811 592140487 /nfs/dbraw/zinc/14/04/87/592140487.db2.gz VQLRPQFQWROKLA-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CCc1nc([C@@H](C)NCc2cc(C)co2)n[nH]1 ZINC000886052325 592141099 /nfs/dbraw/zinc/14/10/99/592141099.db2.gz OOOOWFWNZCPVBH-SECBINFHSA-N 0 1 234.303 2.119 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886087509 592145546 /nfs/dbraw/zinc/14/55/46/592145546.db2.gz VKHRRNVZZDIERH-GJZGRUSLSA-N 0 1 246.354 2.471 20 0 BEADMN CC(C)c1ncc(CN[C@]23C[C@H]2COC3)s1 ZINC000886200415 592175242 /nfs/dbraw/zinc/17/52/42/592175242.db2.gz KLDZWRHLGYQODU-CABZTGNLSA-N 0 1 238.356 2.145 20 0 BEADMN C[C@H](NC[C@@H]1CCO[C@H](C)C1)c1ncco1 ZINC000886274646 592194644 /nfs/dbraw/zinc/19/46/44/592194644.db2.gz YAPLPVATHYCDGO-OUAUKWLOSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ncco1 ZINC000886274453 592194775 /nfs/dbraw/zinc/19/47/75/592194775.db2.gz UAVBOKAUWLMOGL-BBBLOLIVSA-N 0 1 224.304 2.281 20 0 BEADMN COC(=O)C12CC(C1)CN2CC[C@@H]1C[C@H]1C1CC1 ZINC000886279263 592197160 /nfs/dbraw/zinc/19/71/60/592197160.db2.gz URYDJZIOPWGMBR-UAOJGWOHSA-N 0 1 249.354 2.060 20 0 BEADMN c1ccc(-c2nnc(CN3C[C@@H]4C[C@@H]4C3)o2)cc1 ZINC000886328527 592209996 /nfs/dbraw/zinc/20/99/96/592209996.db2.gz LIZPWPJDGMPOJU-TXEJJXNPSA-N 0 1 241.294 2.188 20 0 BEADMN O=C(c1cccc(F)c1O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000890267352 592222749 /nfs/dbraw/zinc/22/27/49/592222749.db2.gz YGWIJVVLPSYPBA-AOOOYVTPSA-N 0 1 249.285 2.403 20 0 BEADMN c1nnn2c1CN([C@H]1C=CCCCCC1)CCC2 ZINC000886464892 592228743 /nfs/dbraw/zinc/22/87/43/592228743.db2.gz KZRZRAXAPQAUJZ-ZDUSSCGKSA-N 0 1 246.358 2.373 20 0 BEADMN CC(C)OCCCN[C@@H](C)c1ncco1 ZINC000886529980 592246863 /nfs/dbraw/zinc/24/68/63/592246863.db2.gz AXLAWDJJDKBAJB-JTQLQIEISA-N 0 1 212.293 2.140 20 0 BEADMN COC1(CCN[C@H](C)c2ncco2)CCC1 ZINC000886538963 592252022 /nfs/dbraw/zinc/25/20/22/592252022.db2.gz QTCIZKDYZAQRSQ-SNVBAGLBSA-N 0 1 224.304 2.284 20 0 BEADMN C[C@@H](NCCC[C@H]1CCOC1)c1ncco1 ZINC000886539351 592253981 /nfs/dbraw/zinc/25/39/81/592253981.db2.gz YHGKOKSIFVPKBQ-MNOVXSKESA-N 0 1 224.304 2.142 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886595195 592270167 /nfs/dbraw/zinc/27/01/67/592270167.db2.gz CQANCXFBVLFEIZ-XEVNVYFWSA-N 0 1 238.375 2.141 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886595193 592271341 /nfs/dbraw/zinc/27/13/41/592271341.db2.gz CQANCXFBVLFEIZ-TZQNSNDFSA-N 0 1 238.375 2.141 20 0 BEADMN c1csc(CN2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC000886822094 592345501 /nfs/dbraw/zinc/34/55/01/592345501.db2.gz MDKSJIKZVQWHHH-QWRGUYRKSA-N 0 1 238.356 2.144 20 0 BEADMN O=C(N[C@]12C[C@H]1CCC2)c1cccc(F)c1O ZINC000887043735 592430715 /nfs/dbraw/zinc/43/07/15/592430715.db2.gz HXTSPXREPHSNPU-AMIZOPFISA-N 0 1 235.258 2.204 20 0 BEADMN Cc1cccn2cc(CN(C)CCCF)nc12 ZINC000887137751 592450045 /nfs/dbraw/zinc/45/00/45/592450045.db2.gz RWVJMIJAKVBUIH-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N(C)CCCF ZINC000887137486 592451343 /nfs/dbraw/zinc/45/13/43/592451343.db2.gz JNURMVFSHVNSPJ-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN COC(=O)c1cc(CN(C)CCCF)c(C)o1 ZINC000887138819 592453660 /nfs/dbraw/zinc/45/36/60/592453660.db2.gz NEAXXLAADJNBJT-UHFFFAOYSA-N 0 1 243.278 2.166 20 0 BEADMN COC(=O)c1ccc(CN(C)CCCF)s1 ZINC000887138662 592453750 /nfs/dbraw/zinc/45/37/50/592453750.db2.gz GLNIPLWQHCXPAE-UHFFFAOYSA-N 0 1 245.319 2.326 20 0 BEADMN CCCc1cc(=O)n([C@H]2CCCSC2)[nH]1 ZINC000887296754 592478137 /nfs/dbraw/zinc/47/81/37/592478137.db2.gz KUQVJPMBEWYNLG-JTQLQIEISA-N 0 1 226.345 2.270 20 0 BEADMN CC(C)c1cc(=O)n([C@H]2CCCSC2)[nH]1 ZINC000887297047 592478397 /nfs/dbraw/zinc/47/83/97/592478397.db2.gz RRNIMAKRWOYZFU-VIFPVBQESA-N 0 1 226.345 2.126 20 0 BEADMN CCC1=NN([C@H]2CCCSC2)C(=O)[C@@H]1C ZINC000887298981 592479094 /nfs/dbraw/zinc/47/90/94/592479094.db2.gz MLJMFFHOHJKQPY-BDAKNGLRSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n([C@H]2CCCSC2)c(=O)c1C ZINC000887298981 592479096 /nfs/dbraw/zinc/47/90/96/592479096.db2.gz MLJMFFHOHJKQPY-BDAKNGLRSA-N 0 1 226.345 2.126 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC(C)(C)C1CC1 ZINC000887371682 592495308 /nfs/dbraw/zinc/49/53/08/592495308.db2.gz BKKFGOZRIXDWAT-SNVBAGLBSA-N 0 1 249.358 2.141 20 0 BEADMN Cc1cn[nH]c1C[S@](=O)Cc1ccccc1 ZINC000887374948 592496638 /nfs/dbraw/zinc/49/66/38/592496638.db2.gz YUBRERAJLZRDGG-MRXNPFEDSA-N 0 1 234.324 2.167 20 0 BEADMN Cn1cnc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000222748167 592502518 /nfs/dbraw/zinc/50/25/18/592502518.db2.gz ZVCMUURRHFCHMJ-YNEHKIRRSA-N 0 1 248.374 2.264 20 0 BEADMN CC[C@@H]1OCC[C@H]1C(=O)NOCc1ccccc1 ZINC000300623224 592516299 /nfs/dbraw/zinc/51/62/99/592516299.db2.gz ZJTDVKVPTZFPTN-OLZOCXBDSA-N 0 1 249.310 2.050 20 0 BEADMN CCn1cc(CN2CC[C@H](C(C)(C)C)C2)nn1 ZINC000887546160 592522508 /nfs/dbraw/zinc/52/25/08/592522508.db2.gz DNCVINYYPXNDGG-NSHDSACASA-N 0 1 236.363 2.166 20 0 BEADMN CSCCCN(C)Cc1ccc(Cl)nn1 ZINC000300868116 592523641 /nfs/dbraw/zinc/52/36/41/592523641.db2.gz QGTAPJCDIOZAKK-UHFFFAOYSA-N 0 1 245.779 2.315 20 0 BEADMN Cc1cccc(C)c1CN(C)C(=O)c1cnc[nH]1 ZINC000887960868 592563093 /nfs/dbraw/zinc/56/30/93/592563093.db2.gz UNVQZXNBCLSSIX-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN O=C(NOC1CCCC1)Nc1ccns1 ZINC000889112200 592581934 /nfs/dbraw/zinc/58/19/34/592581934.db2.gz ZMQYWGJBMYPQMH-UHFFFAOYSA-N 0 1 227.289 2.139 20 0 BEADMN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc(F)c1O ZINC000889579302 592621755 /nfs/dbraw/zinc/62/17/55/592621755.db2.gz WTWHIXZVCPUBTD-YGOYTEALSA-N 0 1 249.285 2.450 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000380664304 601450550 /nfs/dbraw/zinc/45/05/50/601450550.db2.gz WGMBWHMBCSBFAX-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@@H]1C ZINC000380659742 601450947 /nfs/dbraw/zinc/45/09/47/601450947.db2.gz SJFYQSICNXFXIK-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2ccccc2n1 ZINC000037932874 596997098 /nfs/dbraw/zinc/99/70/98/596997098.db2.gz QLDUWLVYBCJXSS-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000083662537 597072824 /nfs/dbraw/zinc/07/28/24/597072824.db2.gz DPAZYZOGYPLOPC-YWVKMMECSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000083662537 597072826 /nfs/dbraw/zinc/07/28/26/597072826.db2.gz DPAZYZOGYPLOPC-YWVKMMECSA-N 0 1 237.299 2.308 20 0 BEADMN O=C([O-])c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000087846682 597136577 /nfs/dbraw/zinc/13/65/77/597136577.db2.gz NXVQTSDUSHEFOY-UHFFFAOYSA-N 0 1 248.307 2.131 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000709692196 597731556 /nfs/dbraw/zinc/73/15/56/597731556.db2.gz ANBKLDHJMOMEOF-ONGXEEELSA-N 0 1 239.340 2.086 20 0 BEADMN Cc1ncsc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000082633593 597777200 /nfs/dbraw/zinc/77/72/00/597777200.db2.gz JWHZNENQPZPZJV-UHFFFAOYSA-N 0 1 242.344 2.138 20 0 BEADMN C[C@H](c1cccnc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000719395103 597801398 /nfs/dbraw/zinc/80/13/98/597801398.db2.gz LAOXOMOXABYAFS-LLVKDONJSA-N 0 1 236.315 2.329 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000381158068 597811696 /nfs/dbraw/zinc/81/16/96/597811696.db2.gz QQMOIDJRNCVONJ-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000054298711 598151676 /nfs/dbraw/zinc/15/16/76/598151676.db2.gz UMVWQMDOFCZILW-JTQLQIEISA-N 0 1 239.340 2.435 20 0 BEADMN Cc1cccnc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000161045315 598161907 /nfs/dbraw/zinc/16/19/07/598161907.db2.gz WSMQXTVKIMQOGW-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738587541 599797519 /nfs/dbraw/zinc/79/75/19/599797519.db2.gz QCYAQKKFCURDKB-LLVKDONJSA-N 0 1 237.274 2.090 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000082718144 599813822 /nfs/dbraw/zinc/81/38/22/599813822.db2.gz PWBMGFZRMJECHB-ZJUUUORDSA-N 0 1 213.321 2.360 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000706429908 599962803 /nfs/dbraw/zinc/96/28/03/599962803.db2.gz DAEQOWMVHWSLMT-LBPRGKRZSA-N 0 1 235.283 2.352 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000706431565 599964662 /nfs/dbraw/zinc/96/46/62/599964662.db2.gz KOXWWHGTCOXDQD-NSHDSACASA-N 0 1 235.283 2.352 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000251056978 600261245 /nfs/dbraw/zinc/26/12/45/600261245.db2.gz BPTKCLYYAJVBMX-YPMHNXCESA-N 0 1 233.311 2.339 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000251056976 600261393 /nfs/dbraw/zinc/26/13/93/600261393.db2.gz BPTKCLYYAJVBMX-AAEUAGOBSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@@H]1CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC000070609777 600318902 /nfs/dbraw/zinc/31/89/02/600318902.db2.gz DVGAYTJFJFQYHL-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)o1 ZINC000071396276 600524881 /nfs/dbraw/zinc/52/48/81/600524881.db2.gz QMENZYAZHZRIIP-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN CCCCCC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000042705819 600713263 /nfs/dbraw/zinc/71/32/63/600713263.db2.gz HGSBOJWJUZHIIP-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)[O-] ZINC000237361692 600835110 /nfs/dbraw/zinc/83/51/10/600835110.db2.gz HUHYEYJYVCNHIM-MXWKQRLJSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000309325378 601042700 /nfs/dbraw/zinc/04/27/00/601042700.db2.gz GHKHFPKWJATUTR-CKYFFXLPSA-N 0 1 219.284 2.153 20 0 BEADMN C/C(=C/C[N@H+]1CCS[C@@H](C(C)C)C1)C(=O)[O-] ZINC000707300754 601178285 /nfs/dbraw/zinc/17/82/85/601178285.db2.gz BSMOMZODLUNODM-NEOSZVFXSA-N 0 1 243.372 2.091 20 0 BEADMN C/C(=C\C[N@H+]1CCS[C@H](C(C)C)C1)C(=O)[O-] ZINC000707300752 601178358 /nfs/dbraw/zinc/17/83/58/601178358.db2.gz BSMOMZODLUNODM-INJWIWPUSA-N 0 1 243.372 2.091 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000399534494 601179763 /nfs/dbraw/zinc/17/97/63/601179763.db2.gz OGWIBJJEOMYPTK-CVPURCMJSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000399534496 601180033 /nfs/dbraw/zinc/18/00/33/601180033.db2.gz OGWIBJJEOMYPTK-KXNDTWRZSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000237447036 601220983 /nfs/dbraw/zinc/22/09/83/601220983.db2.gz SGECEKVIDGYQDK-MFKMUULPSA-N 0 1 219.284 2.154 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000706765718 601339273 /nfs/dbraw/zinc/33/92/73/601339273.db2.gz ZYWQHFZEODSNMS-OLZOCXBDSA-N 0 1 231.295 2.369 20 0 BEADMN CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)[O-] ZINC000237049562 601382342 /nfs/dbraw/zinc/38/23/42/601382342.db2.gz BPPLFUWGKHIZRE-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC000037598018 601461455 /nfs/dbraw/zinc/46/14/55/601461455.db2.gz JLTJUKHNWMLZEZ-UHFFFAOYSA-N 0 1 241.237 2.014 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000160601001 601496573 /nfs/dbraw/zinc/49/65/73/601496573.db2.gz CJCLSQQHMKZSGI-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816076 601500733 /nfs/dbraw/zinc/50/07/33/601500733.db2.gz QQEAWPQKLMDMAO-NTZNESFSSA-N 0 1 233.311 2.400 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226429470 601500918 /nfs/dbraw/zinc/50/09/18/601500918.db2.gz QQEAWPQKLMDMAO-WZRBSPASSA-N 0 1 233.311 2.400 20 0 BEADMN C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C(=O)[O-] ZINC000252459127 601528402 /nfs/dbraw/zinc/52/84/02/601528402.db2.gz VCCCHFJMLNLDSX-GPTAZTBJSA-N 0 1 245.322 2.352 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739453327 601923039 /nfs/dbraw/zinc/92/30/39/601923039.db2.gz FTHBEPVENVZDAO-MNOVXSKESA-N 0 1 226.320 2.003 20 0 BEADMN O=C([O-])C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000086000590 602030671 /nfs/dbraw/zinc/03/06/71/602030671.db2.gz CKOVPANNGVGTGX-YVMONPNESA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000086000588 602037628 /nfs/dbraw/zinc/03/76/28/602037628.db2.gz ZEKUBFGLUSNPIP-UDGZVJEDSA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086000588 602037631 /nfs/dbraw/zinc/03/76/31/602037631.db2.gz ZEKUBFGLUSNPIP-UDGZVJEDSA-N 0 1 238.114 2.102 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706954565 602207089 /nfs/dbraw/zinc/20/70/89/602207089.db2.gz ALQXFMRDFWCMTO-GARJFASQSA-N 0 1 211.305 2.114 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)s1 ZINC000706964318 602208414 /nfs/dbraw/zinc/20/84/14/602208414.db2.gz JSIINYHMYQIZPA-WCBMZHEXSA-N 0 1 237.324 2.431 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000399393961 602240602 /nfs/dbraw/zinc/24/06/02/602240602.db2.gz LORNASJORGTASW-DUWGPSABSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739110897 602450012 /nfs/dbraw/zinc/45/00/12/602450012.db2.gz PDLWWBKUOXMQLD-NEPJUHHUSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738889496 602451777 /nfs/dbraw/zinc/45/17/77/602451777.db2.gz IZLXORUZVMNTCD-QWRGUYRKSA-N 0 1 240.347 2.107 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739355178 602543054 /nfs/dbraw/zinc/54/30/54/602543054.db2.gz VNUPMXSVENZUTF-NSHDSACASA-N 0 1 228.336 2.107 20 0 BEADMN C[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)CC(C)(C)C ZINC000739639947 602705509 /nfs/dbraw/zinc/70/55/09/602705509.db2.gz WXGXTGBPXKUFMW-NSHDSACASA-N 0 1 242.363 2.354 20 0 BEADMN CCCC[N@@H+](CC)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739332093 602702047 /nfs/dbraw/zinc/70/20/47/602702047.db2.gz FDWFUOLMIUTKCS-GFCCVEGCSA-N 0 1 242.363 2.498 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738766820 602702118 /nfs/dbraw/zinc/70/21/18/602702118.db2.gz NPIWVONAZOCNCX-NWDGAFQWSA-N 0 1 242.363 2.353 20 0 BEADMN CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738817574 602702792 /nfs/dbraw/zinc/70/27/92/602702792.db2.gz BZKJURNIJRVXOP-GFCCVEGCSA-N 0 1 242.363 2.354 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000738696723 602737092 /nfs/dbraw/zinc/73/70/92/602737092.db2.gz KJBNRVMIAYHCRS-LLVKDONJSA-N 0 1 242.363 2.402 20 0 BEADMN CC[N@@H+](CC1CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739415674 602818266 /nfs/dbraw/zinc/81/82/66/602818266.db2.gz YISCOXVPIGUSEK-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C1CCC1 ZINC000739413658 602865467 /nfs/dbraw/zinc/86/54/67/602865467.db2.gz IHJCJGRKFSIJLH-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739708831 602976506 /nfs/dbraw/zinc/97/65/06/602976506.db2.gz AJHFPNLQGYPEJF-ZDUSSCGKSA-N 0 1 248.326 2.118 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739327739 603022176 /nfs/dbraw/zinc/02/21/76/603022176.db2.gz ABDLCGPWHLOWLS-NSHDSACASA-N 0 1 228.336 2.251 20 0 BEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)C/C=C/c1ccccc1 ZINC000738937734 603237230 /nfs/dbraw/zinc/23/72/30/603237230.db2.gz FOJPQVSRYAEDKH-LZGFCCKTSA-N 0 1 248.326 2.288 20 0 BEADMN C[C@@H](c1ccccc1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739056796 603251447 /nfs/dbraw/zinc/25/14/47/603251447.db2.gz GDGRILOGEZOMJK-NSHDSACASA-N 0 1 236.315 2.337 20 0 BEADMN CC[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739263111 603324766 /nfs/dbraw/zinc/32/47/66/603324766.db2.gz AFYVISFGUUAWLQ-NWDGAFQWSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)[C@@H]1C ZINC000739112108 603349346 /nfs/dbraw/zinc/34/93/46/603349346.db2.gz RRLRGLMIRRDNJG-UTUOFQBUSA-N 0 1 240.347 2.107 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CCC1 ZINC000738837407 603349982 /nfs/dbraw/zinc/34/99/82/603349982.db2.gz RJCLYMZYTMRTEC-LLVKDONJSA-N 0 1 240.347 2.249 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000739184173 603411363 /nfs/dbraw/zinc/41/13/63/603411363.db2.gz VLRFCNCDUAXWLP-GHMZBOCLSA-N 0 1 242.363 2.401 20 0 BEADMN CN(C[C@H]1CCC[N@@H+](CC2CCC2)C1)C(=O)[O-] ZINC000828180023 604039531 /nfs/dbraw/zinc/03/95/31/604039531.db2.gz GPIMHEBFUDADBD-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000739057855 604374842 /nfs/dbraw/zinc/37/48/42/604374842.db2.gz JHBPLLIPGPVSBR-CMPLNLGQSA-N 0 1 234.299 2.090 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1sccc1C ZINC000083411529 604474784 /nfs/dbraw/zinc/47/47/84/604474784.db2.gz UJGXDHSDWQBNBC-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CC1CCC(C[N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000084340118 604530008 /nfs/dbraw/zinc/53/00/08/604530008.db2.gz AHXWJRKDNWZDRR-HTAVTVPLSA-N 0 1 225.332 2.362 20 0 BEADMN CCc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])s1 ZINC000042705482 604582660 /nfs/dbraw/zinc/58/26/60/604582660.db2.gz ZQKMXRUIWUEHQR-VIFPVBQESA-N 0 1 241.356 2.463 20 0 BEADMN C[C@@H](CC(=O)[O-])SCC[C@H]1CCC[N@H+]1C ZINC000707954287 604630237 /nfs/dbraw/zinc/63/02/37/604630237.db2.gz PTSNWQQIDFTZMI-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000252190020 604632091 /nfs/dbraw/zinc/63/20/91/604632091.db2.gz UUPRUWSWOZXALC-JLLWLGSASA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000252190020 604632093 /nfs/dbraw/zinc/63/20/93/604632093.db2.gz UUPRUWSWOZXALC-JLLWLGSASA-N 0 1 249.310 2.452 20 0 BEADMN C/C(=C\C[N@@H+]1CC=C(C(F)(F)F)CC1)C(=O)[O-] ZINC000382531801 604644844 /nfs/dbraw/zinc/64/48/44/604644844.db2.gz LMDNHYPQWMZUHP-KRXBUXKQSA-N 0 1 249.232 2.212 20 0 BEADMN C/C(=C/C[N@@H+]1CC=C(C(F)(F)F)CC1)C(=O)[O-] ZINC000382531808 604645542 /nfs/dbraw/zinc/64/55/42/604645542.db2.gz LMDNHYPQWMZUHP-WAPJZHGLSA-N 0 1 249.232 2.212 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccoc1 ZINC000250195226 604681633 /nfs/dbraw/zinc/68/16/33/604681633.db2.gz XYASOOMEHOHRHG-UPJWGTAASA-N 0 1 249.310 2.497 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000084347367 604841286 /nfs/dbraw/zinc/84/12/86/604841286.db2.gz DOWHRSLPVREDOQ-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC000251871429 604842159 /nfs/dbraw/zinc/84/21/59/604842159.db2.gz QONJZRGEHDYVNZ-VOAKCMCISA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000235342107 604842461 /nfs/dbraw/zinc/84/24/61/604842461.db2.gz QONJZRGEHDYVNZ-FVCCEPFGSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)=CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000080992083 605849032 /nfs/dbraw/zinc/84/90/32/605849032.db2.gz QMMMOMZKECJXBR-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN Cc1[nH+]c(N2CCCC[C@H]2C)ccc1C(=O)[O-] ZINC000124128449 634395760 /nfs/dbraw/zinc/39/57/60/634395760.db2.gz UHNKMCJCMCHGEC-SECBINFHSA-N 0 1 234.299 2.467 20 0 BEADMN C#CCN(CC#C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000093461476 634544889 /nfs/dbraw/zinc/54/48/89/634544889.db2.gz MKNPQFRKCQDQBL-JKSUJKDBSA-N 0 1 223.319 2.359 20 0 BEADMN C[C@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000066995675 635401576 /nfs/dbraw/zinc/40/15/76/635401576.db2.gz RGNAGFUPJGGJPA-NSHDSACASA-N 0 1 246.310 2.284 20 0 BEADMN Cc1nc(CNC[C@@H](O)CC(C)C)sc1C ZINC000226100725 635421551 /nfs/dbraw/zinc/42/15/51/635421551.db2.gz MFWNANBTECYOIN-NSHDSACASA-N 0 1 242.388 2.257 20 0 BEADMN CC[N@H+](Cc1cccc(C(=O)[O-])n1)CC(C)C ZINC000233463636 635535788 /nfs/dbraw/zinc/53/57/88/635535788.db2.gz LKEDHUIWTKOGFJ-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1ccc2ccccc2c1 ZINC000925864193 635563617 /nfs/dbraw/zinc/56/36/17/635563617.db2.gz ISFRKTRRQHHPKE-XHDPSFHLSA-N 0 1 242.322 2.394 20 0 BEADMN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H]1CNOC1 ZINC000925863978 635563898 /nfs/dbraw/zinc/56/38/98/635563898.db2.gz CHQRRQUKFKQPDD-DMDPSCGWSA-N 0 1 232.327 2.036 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000924250992 635565229 /nfs/dbraw/zinc/56/52/29/635565229.db2.gz PKQTUPLWODIHNI-ONGXEEELSA-N 0 1 249.314 2.464 20 0 BEADMN COC[C@@H]1COCCN1CCC1CCCCC1 ZINC000933332239 631266147 /nfs/dbraw/zinc/26/61/47/631266147.db2.gz XJVHKYCFNUMZIO-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CCOC1CC(N(C)C/C=C\Cl)C1 ZINC000308436321 631331319 /nfs/dbraw/zinc/33/13/19/631331319.db2.gz WQPRWQBVCNCNHO-PLNGDYQASA-N 0 1 203.713 2.238 20 0 BEADMN COC1CCN(Cc2cnn(C3CCC3)c2)CC1 ZINC000891536946 631386867 /nfs/dbraw/zinc/38/68/67/631386867.db2.gz PERCUBBNWSGYBZ-UHFFFAOYSA-N 0 1 249.358 2.219 20 0 BEADMN COC1CCN(Cc2ccnn2C2CCC2)CC1 ZINC000891537337 631389573 /nfs/dbraw/zinc/38/95/73/631389573.db2.gz RCGVIGXIIKKQRL-UHFFFAOYSA-N 0 1 249.358 2.219 20 0 BEADMN COCCN(C)Cc1cc(O)cc(Cl)c1 ZINC000891573656 631397359 /nfs/dbraw/zinc/39/73/59/631397359.db2.gz HONBQPOOCLRSJI-UHFFFAOYSA-N 0 1 229.707 2.124 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000084002206 631432231 /nfs/dbraw/zinc/43/22/31/631432231.db2.gz JMRXCZKAVZPJRU-FLIBITNWSA-N 0 1 219.284 2.149 20 0 BEADMN CC(C)(NC[C@H]1CCCOC1)C(F)F ZINC000308651465 631466025 /nfs/dbraw/zinc/46/60/25/631466025.db2.gz KSJDSIUQFZZLNG-MRVPVSSYSA-N 0 1 207.264 2.046 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000051322656 631466102 /nfs/dbraw/zinc/46/61/02/631466102.db2.gz KNYPLPACIKXTBY-VHSXEESVSA-N 0 1 201.310 2.075 20 0 BEADMN O=C(NCc1cnc[nH]1)C1CCCCCCC1 ZINC000088759230 631491400 /nfs/dbraw/zinc/49/14/00/631491400.db2.gz FWVPRQPOJBQCRE-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN FCCNCc1cncc2ccccc21 ZINC000308808053 631511200 /nfs/dbraw/zinc/51/12/00/631511200.db2.gz PHCHNHVKLZEZIV-UHFFFAOYSA-N 0 1 204.248 2.294 20 0 BEADMN Cc1cc(Cl)ccc1CN1CC[C@H]1CO ZINC000934012624 631589283 /nfs/dbraw/zinc/58/92/83/631589283.db2.gz BIUMVTVLSIPRDD-LBPRGKRZSA-N 0 1 225.719 2.215 20 0 BEADMN OC[C@@H]1CCN1[C@@H]1CCc2cc(Cl)ccc21 ZINC000934014016 631596411 /nfs/dbraw/zinc/59/64/11/631596411.db2.gz JLOOOKFUFMVYQR-WCQYABFASA-N 0 1 237.730 2.394 20 0 BEADMN C[C@H](c1cccc(Cl)c1)N1CC[C@@H]1CO ZINC000934027125 631608351 /nfs/dbraw/zinc/60/83/51/631608351.db2.gz PIXJOMNTUBVLCW-BXKDBHETSA-N 0 1 225.719 2.468 20 0 BEADMN OC[C@@H]1CCN1CCCc1ccccc1Cl ZINC000934016953 631615001 /nfs/dbraw/zinc/61/50/01/631615001.db2.gz OYDJLZZAZOMLPE-LBPRGKRZSA-N 0 1 239.746 2.339 20 0 BEADMN CC1CC(NC(=O)c2cccc(F)c2O)C1 ZINC000934028047 631626937 /nfs/dbraw/zinc/62/69/37/631626937.db2.gz WTLLBDCYPIZWHC-UHFFFAOYSA-N 0 1 223.247 2.060 20 0 BEADMN OC[C@@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000934031292 631631443 /nfs/dbraw/zinc/63/14/43/631631443.db2.gz PXMQNWVTOVVAAB-NSHDSACASA-N 0 1 245.244 2.272 20 0 BEADMN OC[C@@H]1CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000934031292 631631448 /nfs/dbraw/zinc/63/14/48/631631448.db2.gz PXMQNWVTOVVAAB-NSHDSACASA-N 0 1 245.244 2.272 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000308787489 631646415 /nfs/dbraw/zinc/64/64/15/631646415.db2.gz GWKPJKDAKSBDCB-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000934103926 631671040 /nfs/dbraw/zinc/67/10/40/631671040.db2.gz GTCKMNLKAHNVJG-RYUDHWBXSA-N 0 1 236.315 2.161 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cncc(Cl)c1 ZINC000934107699 631675206 /nfs/dbraw/zinc/67/52/06/631675206.db2.gz XTOBVOFTDGTYHS-VXGBXAGGSA-N 0 1 240.734 2.344 20 0 BEADMN CCN(CCO)Cc1cc(Cl)nc(Cl)c1 ZINC000098132715 631684548 /nfs/dbraw/zinc/68/45/48/631684548.db2.gz IWMPQEUWHXEYHM-UHFFFAOYSA-N 0 1 249.141 2.203 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cc(C)cc(C)n1 ZINC000934112315 631687816 /nfs/dbraw/zinc/68/78/16/631687816.db2.gz YCHICPILTXBUHK-KBPBESRZSA-N 0 1 234.343 2.308 20 0 BEADMN c1cc(CN[C@H]2CC[C@H]2C2CCC2)no1 ZINC000308857166 631697743 /nfs/dbraw/zinc/69/77/43/631697743.db2.gz QGVNCCJVNHOTJC-RYUDHWBXSA-N 0 1 206.289 2.343 20 0 BEADMN CCN(CC)CC(=O)N1CCc2cc(C)ccc21 ZINC000091104084 631701717 /nfs/dbraw/zinc/70/17/17/631701717.db2.gz IGDJSUBCQSBJDV-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN C[C@H]1CSCCCN1Cc1ccno1 ZINC000934303965 631774582 /nfs/dbraw/zinc/77/45/82/631774582.db2.gz ZIPZKYCKKWFVFO-VIFPVBQESA-N 0 1 212.318 2.002 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H]1CC ZINC000043447861 631792460 /nfs/dbraw/zinc/79/24/60/631792460.db2.gz GTFYCHYJGUDWPN-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN Cc1ccc(N(C)C(=O)CN(C)C(C)C)cc1 ZINC000725739924 631810661 /nfs/dbraw/zinc/81/06/61/631810661.db2.gz FFELNVHAKBLHDG-UHFFFAOYSA-N 0 1 234.343 2.298 20 0 BEADMN C[C@@H]1CC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000309159799 631913256 /nfs/dbraw/zinc/91/32/56/631913256.db2.gz YMGYGVMYXZICBW-APPZFPTMSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@@H]1CC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000309159799 631913258 /nfs/dbraw/zinc/91/32/58/631913258.db2.gz YMGYGVMYXZICBW-APPZFPTMSA-N 0 1 202.261 2.168 20 0 BEADMN O[C@@H]1CCN(CC/C=C\c2ccccc2)C[C@H]1F ZINC000934565487 631930959 /nfs/dbraw/zinc/93/09/59/631930959.db2.gz LVZGRRXENJBFJI-JFCGUDLGSA-N 0 1 249.329 2.495 20 0 BEADMN CCc1cc(CNCc2cccs2)[nH]n1 ZINC000050306711 631973328 /nfs/dbraw/zinc/97/33/28/631973328.db2.gz RTPIUDXYIVPUAQ-UHFFFAOYSA-N 0 1 221.329 2.323 20 0 BEADMN CCN(Cc1cccc(Cl)n1)[C@H]1CCOC1 ZINC000309278028 631983532 /nfs/dbraw/zinc/98/35/32/631983532.db2.gz SNZVBEDNMZKDMO-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CC(C)C[C@@H](O)CNCc1c(F)cccc1F ZINC000224266703 632020246 /nfs/dbraw/zinc/02/02/46/632020246.db2.gz PMFUNDAJQXXCAP-SNVBAGLBSA-N 0 1 243.297 2.461 20 0 BEADMN Cc1nnc([C@H](C)NCCc2cccs2)o1 ZINC000309365577 632023423 /nfs/dbraw/zinc/02/34/23/632023423.db2.gz BCYRDHMUYXNXBZ-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN CS[C@H]1CCC[C@@H](NCc2ncccn2)C1 ZINC000235148632 632102979 /nfs/dbraw/zinc/10/29/79/632102979.db2.gz NPVHKCICOPRUGI-MNOVXSKESA-N 0 1 237.372 2.240 20 0 BEADMN Cn1ccnc1CN[C@H]1CCOC12CCCCC2 ZINC000924937880 635790507 /nfs/dbraw/zinc/79/05/07/635790507.db2.gz FGQPOLPFNLOZND-LBPRGKRZSA-N 0 1 249.358 2.002 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C2(C)CC=CC2)n[nH]1 ZINC000934924954 632392509 /nfs/dbraw/zinc/39/25/09/632392509.db2.gz NRNGVLGWHKUULX-JTQLQIEISA-N 0 1 247.342 2.122 20 0 BEADMN OC[C@]1(NC/C=C\Cl)CCc2ccccc21 ZINC000309493589 632420299 /nfs/dbraw/zinc/42/02/99/632420299.db2.gz JLQAOVRQOAEVNO-UJYKQDJBSA-N 0 1 237.730 2.163 20 0 BEADMN CC/C=C\CN[C@@H](C)c1cc(OC)no1 ZINC000926516946 632420695 /nfs/dbraw/zinc/42/06/95/632420695.db2.gz QWKXOHSBGSAIDI-UDIARPCQSA-N 0 1 210.277 2.300 20 0 BEADMN COCCCOC1CCN(C/C=C\Cl)CC1 ZINC000255574984 632424317 /nfs/dbraw/zinc/42/43/17/632424317.db2.gz DNEYKVBEHGFHIM-KXFIGUGUSA-N 0 1 247.766 2.256 20 0 BEADMN Cc1csc(CN[C@H](C)c2cnnn2C)c1 ZINC000926519477 632427192 /nfs/dbraw/zinc/42/71/92/632427192.db2.gz MPORNOJZNGQMOA-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@H](CNC(=O)[C@H](N)c1ccccc1)C(C)(C)C ZINC000162002567 632485685 /nfs/dbraw/zinc/48/56/85/632485685.db2.gz NVDJLHPGRDHMHL-DGCLKSJQSA-N 0 1 248.370 2.485 20 0 BEADMN C[C@@H](N(C)CN1CCSC1=S)C1(C)CC1 ZINC000176829321 632530776 /nfs/dbraw/zinc/53/07/76/632530776.db2.gz MJRJDJYKXUEPEW-SECBINFHSA-N 0 1 244.429 2.398 20 0 BEADMN OC[C@H](NC/C=C/Cl)c1cccc(F)c1 ZINC000308937332 632531983 /nfs/dbraw/zinc/53/19/83/632531983.db2.gz OQWBJFKPJUUAAZ-DGXRNCNBSA-N 0 1 229.682 2.201 20 0 BEADMN C#C[C@H](C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000162780208 632578031 /nfs/dbraw/zinc/57/80/31/632578031.db2.gz WUUIXROGVKSNEC-STQMWFEESA-N 0 1 237.343 2.062 20 0 BEADMN CCCN(CN1C[C@@H](CC)CC1=O)C1CC1 ZINC000176940968 632648551 /nfs/dbraw/zinc/64/85/51/632648551.db2.gz YJEAYRFVGHYPBD-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN Cc1cc(Cl)nc(CNCc2cnc[nH]2)c1 ZINC000309690928 632652588 /nfs/dbraw/zinc/65/25/88/632652588.db2.gz JHIQHDWRUIUSMQ-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000255618505 632654092 /nfs/dbraw/zinc/65/40/92/632654092.db2.gz YPPWWRSOEWIVRH-WHGQRRHOSA-N 0 1 238.375 2.141 20 0 BEADMN C=Cn1cc(CN[C@H](C)c2ccc[nH]2)cn1 ZINC000309828574 632672171 /nfs/dbraw/zinc/67/21/71/632672171.db2.gz XWHXHPZOLOQTQJ-SNVBAGLBSA-N 0 1 216.288 2.163 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1[C@@H]1C=CCCC1 ZINC000235370645 632679071 /nfs/dbraw/zinc/67/90/71/632679071.db2.gz REOKBFPUXKBLBY-IJLUTSLNSA-N 0 1 223.316 2.280 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000235397623 632698167 /nfs/dbraw/zinc/69/81/67/632698167.db2.gz QRJMLDCZEAQPRE-SECBINFHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)C=CCC1 ZINC000935380137 632725959 /nfs/dbraw/zinc/72/59/59/632725959.db2.gz HKIQXPRPGRQFPG-ZDUSSCGKSA-N 0 1 246.314 2.367 20 0 BEADMN C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)C=CCC1 ZINC000935380137 632725961 /nfs/dbraw/zinc/72/59/61/632725961.db2.gz HKIQXPRPGRQFPG-ZDUSSCGKSA-N 0 1 246.314 2.367 20 0 BEADMN C[C@H](NC1CC2(CCC2)C1)c1cc(CO)on1 ZINC000926659161 632783195 /nfs/dbraw/zinc/78/31/95/632783195.db2.gz FKHUOWGLXKFMIQ-VIFPVBQESA-N 0 1 236.315 2.150 20 0 BEADMN C[C@H](N[C@@H](C)c1ccccc1)c1cnnn1C ZINC000924540765 632786229 /nfs/dbraw/zinc/78/62/29/632786229.db2.gz GOHPCYHNDMBTKO-QWRGUYRKSA-N 0 1 230.315 2.227 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCc2ccco2)n1 ZINC000924555531 632830025 /nfs/dbraw/zinc/83/00/25/632830025.db2.gz NSRKLIXNINXKDV-SNVBAGLBSA-N 0 1 248.330 2.093 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCc2ccco2)n1 ZINC000924555527 632830393 /nfs/dbraw/zinc/83/03/93/632830393.db2.gz NSRKLIXNINXKDV-JTQLQIEISA-N 0 1 248.330 2.093 20 0 BEADMN Cc1noc(C)c1CNC/C=C/Cl ZINC000235814548 632833374 /nfs/dbraw/zinc/83/33/74/632833374.db2.gz UGWHUGUBKIETBK-ONEGZZNKSA-N 0 1 200.669 2.134 20 0 BEADMN Cc1ccc(C[NH2+]Cc2cc(C(=O)[O-])oc2C)o1 ZINC000235884146 632844432 /nfs/dbraw/zinc/84/44/32/632844432.db2.gz VZQUFMHQYWUBHP-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN COc1cc([C@H](C)NC[C@]2(C)CC2(F)F)on1 ZINC000926706131 632846357 /nfs/dbraw/zinc/84/63/57/632846357.db2.gz RXFLNWOZFOFTOB-XVKPBYJWSA-N 0 1 246.257 2.379 20 0 BEADMN CCCCC[C@H](CC)C(=O)Nc1c[nH]nn1 ZINC000935596485 632849107 /nfs/dbraw/zinc/84/91/07/632849107.db2.gz KIIASKYFUZGTOD-VIFPVBQESA-N 0 1 224.308 2.350 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092086008 632865409 /nfs/dbraw/zinc/86/54/09/632865409.db2.gz OCQMODFAGKNDCI-DTORHVGOSA-N 0 1 237.299 2.374 20 0 BEADMN C[C@H](N[C@@H]1CCc2cccnc21)c1cnn(C)c1 ZINC000310699486 632889909 /nfs/dbraw/zinc/88/99/09/632889909.db2.gz XPWXIWIRWQPATB-GXFFZTMASA-N 0 1 242.326 2.153 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccccc1CC(=O)[O-] ZINC000157013985 632896622 /nfs/dbraw/zinc/89/66/22/632896622.db2.gz KGPHDAZMXYSQLC-NSHDSACASA-N 0 1 233.311 2.298 20 0 BEADMN Cc1cc(C)nc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000310722761 632919394 /nfs/dbraw/zinc/91/93/94/632919394.db2.gz RWFAYFQVTUZVRJ-SNVBAGLBSA-N 0 1 244.298 2.173 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000236489589 632950661 /nfs/dbraw/zinc/95/06/61/632950661.db2.gz GEYASMXMYHJACA-PHIMTYICSA-N 0 1 246.310 2.012 20 0 BEADMN CC(C)c1cnc(CN[C@@H](CO)C2CC2)s1 ZINC000309348322 632957174 /nfs/dbraw/zinc/95/71/74/632957174.db2.gz MFNAONYVUACDFJ-JTQLQIEISA-N 0 1 240.372 2.127 20 0 BEADMN C[C@H](NC/C=C/c1ccccc1)c1cnnn1C ZINC000925049251 635872752 /nfs/dbraw/zinc/87/27/52/635872752.db2.gz GYKSTRHBNHMQFS-LZGFCCKTSA-N 0 1 242.326 2.179 20 0 BEADMN O=C(N[C@@H]1CCC(F)(F)C1)C(F)(F)C(F)F ZINC000309423517 633055137 /nfs/dbraw/zinc/05/51/37/633055137.db2.gz BIVUUAHSBNUUCP-SCSAIBSYSA-N 0 1 249.154 2.191 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299985096 635894214 /nfs/dbraw/zinc/89/42/14/635894214.db2.gz IFIAAUCGZAIGPL-LOWVWBTDSA-N 0 1 249.310 2.273 20 0 BEADMN Cc1[nH]nc(CN2CC[C@@H](C)[C@H](F)C2)c1C ZINC000894415922 635896958 /nfs/dbraw/zinc/89/69/58/635896958.db2.gz QRJSAZYNXNJITL-LDYMZIIASA-N 0 1 225.311 2.206 20 0 BEADMN CS[C@H](C)Cc1nc([C@H](N)C(C)C)no1 ZINC000309476209 633140158 /nfs/dbraw/zinc/14/01/58/633140158.db2.gz RYIPRBKJEPVTPY-VXNVDRBHSA-N 0 1 229.349 2.019 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000909412333 635956796 /nfs/dbraw/zinc/95/67/96/635956796.db2.gz AZNGDBSQLCJHJI-WOPDTQHZSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1nc([C@H](C)Nc2nc(Cl)cs2)n[nH]1 ZINC000306771692 635975117 /nfs/dbraw/zinc/97/51/17/635975117.db2.gz RQFKXZLMMAPWMR-BYPYZUCNSA-N 0 1 243.723 2.396 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cs1 ZINC000306731060 635975539 /nfs/dbraw/zinc/97/55/39/635975539.db2.gz QFPIHVACNDZMFC-SNVBAGLBSA-N 0 1 225.313 2.106 20 0 BEADMN CSCC[C@@H](C)N[C@H](C)c1nonc1C ZINC000925098143 636005407 /nfs/dbraw/zinc/00/54/07/636005407.db2.gz UUFVIEMVMTUZSU-HTQZYQBOSA-N 0 1 229.349 2.170 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@H](C)CSC)n1 ZINC000925096089 636002795 /nfs/dbraw/zinc/00/27/95/636002795.db2.gz MGZXAGKQMSLBEJ-BDAKNGLRSA-N 0 1 242.392 2.009 20 0 BEADMN Cc1cc(CN2CCCOCC2)ccc1F ZINC000334429860 636045233 /nfs/dbraw/zinc/04/52/33/636045233.db2.gz ZJPOBDMQPFGRBE-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1C ZINC000928557511 636098230 /nfs/dbraw/zinc/09/82/30/636098230.db2.gz UOQJQKLGSDICOF-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)CCCCC(=O)NC[C@@H]1CCN1C ZINC000928560229 636105543 /nfs/dbraw/zinc/10/55/43/636105543.db2.gz QZCOEPQSGKWGRR-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)NC[C@H]1CCN1C ZINC000928563286 636111991 /nfs/dbraw/zinc/11/19/91/636111991.db2.gz PCNBGISPKMLMCV-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@H]1CCN1C ZINC000928569998 636115115 /nfs/dbraw/zinc/11/51/15/636115115.db2.gz PLXAHNSZIHSCHJ-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CC1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000895438445 636142874 /nfs/dbraw/zinc/14/28/74/636142874.db2.gz DDTOTJKONMNQSR-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](COCC1CC1)NCc1ocnc1C ZINC000895228687 636123128 /nfs/dbraw/zinc/12/31/28/636123128.db2.gz AMVUXACKCWZGQM-GFCCVEGCSA-N 0 1 238.331 2.278 20 0 BEADMN CC1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000895438446 636143270 /nfs/dbraw/zinc/14/32/70/636143270.db2.gz DDTOTJKONMNQSR-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cn1ccnc1CN1CCC2(CCCC2)C1 ZINC000174264301 633739927 /nfs/dbraw/zinc/73/99/27/633739927.db2.gz LFSUTKRLHPNABH-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN COc1cccc(NCc2cnc[nH]2)c1C ZINC000895392390 636141091 /nfs/dbraw/zinc/14/10/91/636141091.db2.gz PEEYSCCTUXAFAM-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN OC[C@H](NC/C(Cl)=C/Cl)C1CCCC1 ZINC000308545476 633747290 /nfs/dbraw/zinc/74/72/90/633747290.db2.gz ODGANSUVCGDGME-BSKOKIOFSA-N 0 1 238.158 2.446 20 0 BEADMN C[C@H](NC1(C2CC2)CCC1)c1cc(CO)on1 ZINC000926873523 633758424 /nfs/dbraw/zinc/75/84/24/633758424.db2.gz GGYCFNMHQZWCEK-VIFPVBQESA-N 0 1 236.315 2.150 20 0 BEADMN CC(C)CCN(C)CN1CCSC1=S ZINC000122515739 633771316 /nfs/dbraw/zinc/77/13/16/633771316.db2.gz OQOBMODVORXHCB-UHFFFAOYSA-N 0 1 232.418 2.256 20 0 BEADMN Cc1cc(N)nc(N2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000893121152 633842460 /nfs/dbraw/zinc/84/24/60/633842460.db2.gz NWJNCONUOCBRNR-YGRLFVJLSA-N 0 1 246.358 2.384 20 0 BEADMN Cc1cc(N)nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1 ZINC000893121756 633842877 /nfs/dbraw/zinc/84/28/77/633842877.db2.gz RRGAPBQWGQCUTQ-ZMLRMANQSA-N 0 1 246.358 2.382 20 0 BEADMN Cc1cc(N)nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1 ZINC000893121755 633843083 /nfs/dbraw/zinc/84/30/83/633843083.db2.gz RRGAPBQWGQCUTQ-WCQGTBRESA-N 0 1 246.358 2.382 20 0 BEADMN CC1CC(CN(C)[C@@H]2CC(C)(C)OC2=O)C1 ZINC000930562118 633898412 /nfs/dbraw/zinc/89/84/12/633898412.db2.gz LMLXWNMSKONGSK-VQXHTEKXSA-N 0 1 225.332 2.058 20 0 BEADMN CC[C@H](NCc1ccoc1)[C@H](O)C(F)(F)F ZINC000309413281 633914940 /nfs/dbraw/zinc/91/49/40/633914940.db2.gz CDLISFMVAONYJF-IUCAKERBSA-N 0 1 237.221 2.071 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H]1C1CCC1 ZINC000181448141 633916601 /nfs/dbraw/zinc/91/66/01/633916601.db2.gz IVRWKGPFYWXQBO-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H](NC1(C)CC(F)(F)C1)c1cnccn1 ZINC000895477282 636149587 /nfs/dbraw/zinc/14/95/87/636149587.db2.gz GDFJVZGLXXDWNZ-QMMMGPOBSA-N 0 1 227.258 2.315 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)[C@H]1C ZINC000895518464 636156374 /nfs/dbraw/zinc/15/63/74/636156374.db2.gz PJCXNJMKYWTOLD-XQHKEYJVSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nonc1[C@H](C)NCC1(C2CC2)CC1 ZINC000925612549 634151863 /nfs/dbraw/zinc/15/18/63/634151863.db2.gz MHNUEVYGWGYWPC-QMMMGPOBSA-N 0 1 221.304 2.219 20 0 BEADMN CCNCc1nc(-c2cc(C)cc(F)c2)no1 ZINC000162487148 634182636 /nfs/dbraw/zinc/18/26/36/634182636.db2.gz WUBIJIDZAYZLGF-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CC[C@H](CO)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000931084607 634214936 /nfs/dbraw/zinc/21/49/36/634214936.db2.gz QQYCXMKBARRHQJ-CHWSQXEVSA-N 0 1 234.343 2.235 20 0 BEADMN O=C(Nc1[nH]nc2c1cccc2Cl)C(F)F ZINC000194786028 634335452 /nfs/dbraw/zinc/33/54/52/634335452.db2.gz LUDHLVHTZQPVFJ-UHFFFAOYSA-N 0 1 245.616 2.420 20 0 BEADMN CC[C@H](CSC)N[C@@H](C)c1nonc1C ZINC000925696213 634353412 /nfs/dbraw/zinc/35/34/12/634353412.db2.gz YDEJABDPAWIKFL-IONNQARKSA-N 0 1 229.349 2.170 20 0 BEADMN CCn1cc(N[C@H]2CCCc3[nH]ncc32)cn1 ZINC000336399626 635149154 /nfs/dbraw/zinc/14/91/54/635149154.db2.gz VVBLAUXJGMZRQR-NSHDSACASA-N 0 1 231.303 2.116 20 0 BEADMN COc1ccc(C)cc1CNC(=O)C(F)(F)F ZINC000258747535 635194587 /nfs/dbraw/zinc/19/45/87/635194587.db2.gz KHHGNJIILFPODW-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN CCOc1ccc(CCN(C)CC(C)=O)cc1 ZINC000258994745 635231328 /nfs/dbraw/zinc/23/13/28/635231328.db2.gz YEBHVFYMWDZPOF-UHFFFAOYSA-N 0 1 235.327 2.149 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000054053204 635340505 /nfs/dbraw/zinc/34/05/05/635340505.db2.gz HAPXARHOWZWKEZ-SSDOTTSWSA-N 0 1 221.235 2.156 20 0 BEADMN Cc1cc(=O)n(Cc2ccccc2C)[nH]1 ZINC000107893145 635496128 /nfs/dbraw/zinc/49/61/28/635496128.db2.gz OFJIDDPSNMSTBF-UHFFFAOYSA-N 0 1 202.257 2.103 20 0 BEADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CNOC1 ZINC000925863984 635563178 /nfs/dbraw/zinc/56/31/78/635563178.db2.gz CHQRRQUKFKQPDD-NQBHXWOUSA-N 0 1 232.327 2.036 20 0 BEADMN COc1ccc(CN(C)CC2=CCSC2)o1 ZINC000895465509 636147052 /nfs/dbraw/zinc/14/70/52/636147052.db2.gz KVTFQIREGQILIE-UHFFFAOYSA-N 0 1 239.340 2.393 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC000895874476 636178696 /nfs/dbraw/zinc/17/86/96/636178696.db2.gz HIDFKIGWPWTAOC-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC000895874474 636180289 /nfs/dbraw/zinc/18/02/89/636180289.db2.gz HIDFKIGWPWTAOC-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN CC1(CNC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000336070477 636222655 /nfs/dbraw/zinc/22/26/55/636222655.db2.gz VLHPJXKBHVCJDW-UHFFFAOYSA-N 0 1 247.273 2.232 20 0 BEADMN CSC(C)(C)CN[C@@H]1C[C@H](C)n2ncnc21 ZINC000925193152 636370670 /nfs/dbraw/zinc/37/06/70/636370670.db2.gz ZXERFDYPNZWAOT-DTWKUNHWSA-N 0 1 240.376 2.015 20 0 BEADMN COc1ccnc([C@H](C)NCc2ccn(C)c2)c1 ZINC000925209159 636388290 /nfs/dbraw/zinc/38/82/90/636388290.db2.gz BLFYUBATJJBAMB-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN CC[C@H](C[C@](C)(O)CC)NCc1ccon1 ZINC000925212449 636392759 /nfs/dbraw/zinc/39/27/59/636392759.db2.gz QNSCZGKAOWAWMB-ZYHUDNBSSA-N 0 1 226.320 2.094 20 0 BEADMN CC[C@H](C[C@@](C)(O)CC)NCc1ccon1 ZINC000925212448 636392953 /nfs/dbraw/zinc/39/29/53/636392953.db2.gz QNSCZGKAOWAWMB-PWSUYJOCSA-N 0 1 226.320 2.094 20 0 BEADMN C[C@@H](NC1CCC(C)(O)CC1)c1ncco1 ZINC000925224372 636417815 /nfs/dbraw/zinc/41/78/15/636417815.db2.gz ZSTAKBVOOKPSTF-GRZMOONWSA-N 0 1 224.304 2.019 20 0 BEADMN CC(C)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000082791643 636447266 /nfs/dbraw/zinc/44/72/66/636447266.db2.gz JDNOWYSSRGLWPL-UHFFFAOYSA-N 0 1 219.284 2.151 20 0 BEADMN CCCC[C@H](C)NCc1noc2c1COCC2 ZINC000897367317 636498163 /nfs/dbraw/zinc/49/81/63/636498163.db2.gz ZAFHJRFPFHCSPI-JTQLQIEISA-N 0 1 238.331 2.416 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)CCCO ZINC000925256755 636534917 /nfs/dbraw/zinc/53/49/17/636534917.db2.gz IMPKCHJJLHQBOD-MWLCHTKSSA-N 0 1 238.331 2.111 20 0 BEADMN Cc1occc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000320961808 636554392 /nfs/dbraw/zinc/55/43/92/636554392.db2.gz ALXBGDWIGSNQPO-UHFFFAOYSA-N 0 1 237.299 2.417 20 0 BEADMN Cc1occc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000321586433 636654492 /nfs/dbraw/zinc/65/44/92/636654492.db2.gz WFGZTXUPXURWPI-UHFFFAOYSA-N 0 1 225.288 2.273 20 0 BEADMN CCOC(=O)CN1CCCCCCCC1 ZINC000321614358 636663890 /nfs/dbraw/zinc/66/38/90/636663890.db2.gz UAAVRBCLDLLPOG-UHFFFAOYSA-N 0 1 213.321 2.206 20 0 BEADMN CC[C@@H](O)CCN[C@@H]1CCCc2oc(C)nc21 ZINC000925282423 636711610 /nfs/dbraw/zinc/71/16/10/636711610.db2.gz OMRMFLVLRHPNNQ-GHMZBOCLSA-N 0 1 238.331 2.111 20 0 BEADMN CN(CCc1ccns1)Cc1ccco1 ZINC000929137208 636828183 /nfs/dbraw/zinc/82/81/83/636828183.db2.gz BUQUQDDNVGHHJR-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN CCCCCc1nc([C@H](N)C(C)C)no1 ZINC000041052627 636959803 /nfs/dbraw/zinc/95/98/03/636959803.db2.gz IZBUETZAFHWXCD-SNVBAGLBSA-N 0 1 211.309 2.458 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OCCC1CC1 ZINC000923891367 637004096 /nfs/dbraw/zinc/00/40/96/637004096.db2.gz KTQZAQAEGAFYNH-LBPRGKRZSA-N 0 1 225.332 2.203 20 0 BEADMN c1ncc(CNc2ccc3c(c2)COC3)[nH]1 ZINC000128240182 637027320 /nfs/dbraw/zinc/02/73/20/637027320.db2.gz AHVSXMTVUXTLDF-UHFFFAOYSA-N 0 1 215.256 2.052 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000898662059 637052391 /nfs/dbraw/zinc/05/23/91/637052391.db2.gz LNEAAKSFTCMOOB-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CCn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000899886438 637147864 /nfs/dbraw/zinc/14/78/64/637147864.db2.gz SKCQIHPBNKHDMJ-JSGCOSHPSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@H](NC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000900822698 637193325 /nfs/dbraw/zinc/19/33/25/637193325.db2.gz GGUVMROEXUOXBP-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cc(Cc2nnc(NC3(C)CCC3)o2)[nH]n1 ZINC000901406336 637245468 /nfs/dbraw/zinc/24/54/68/637245468.db2.gz CPCJMVBHSGRYLX-UHFFFAOYSA-N 0 1 247.302 2.046 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C ZINC000042436070 637246499 /nfs/dbraw/zinc/24/64/99/637246499.db2.gz HAKJUWQUCLOLND-LBPRGKRZSA-N 0 1 221.300 2.290 20 0 BEADMN Cc1cc(C[N@@H+](C)CC(=O)[O-])cc2cccnc12 ZINC000901575442 637267806 /nfs/dbraw/zinc/26/78/06/637267806.db2.gz PXRNRNOITSSXEE-UHFFFAOYSA-N 0 1 244.294 2.060 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000903598684 637374647 /nfs/dbraw/zinc/37/46/47/637374647.db2.gz XDUXCZINFCLPOM-IRCOFANPSA-N 0 1 227.348 2.464 20 0 BEADMN CCn1cnc(CNC[C@@]2(C)CC2(F)F)c1 ZINC000904439923 637410410 /nfs/dbraw/zinc/41/04/10/637410410.db2.gz SIWCLMVBWLBTFO-SNVBAGLBSA-N 0 1 229.274 2.038 20 0 BEADMN C[C@H]1C[C@@H]1c1noc(-c2cccc3[nH]nnc32)n1 ZINC000904816657 637482848 /nfs/dbraw/zinc/48/28/48/637482848.db2.gz ANGJVXPOZJUNOC-XPUUQOCRSA-N 0 1 241.254 2.131 20 0 BEADMN Cc1cccc([C@H](C)[S@](=O)Cc2c[nH]nn2)c1 ZINC000905190239 637668640 /nfs/dbraw/zinc/66/86/40/637668640.db2.gz PXETVANHLPBXFQ-DYZYQPBXSA-N 0 1 249.339 2.123 20 0 BEADMN CC(C)Cn1ccnc1NCc1ccc(=O)[nH]c1 ZINC000905413366 637801851 /nfs/dbraw/zinc/80/18/51/637801851.db2.gz PMJBYJXNOXQTHZ-UHFFFAOYSA-N 0 1 246.314 2.252 20 0 BEADMN CC[C@H](O)CN[C@H]1c2ccccc2CC[C@@H]1F ZINC000905453088 637811456 /nfs/dbraw/zinc/81/14/56/637811456.db2.gz NOSFPQXJZXXTBB-UBHSHLNASA-N 0 1 237.318 2.373 20 0 BEADMN OC1(CNCc2nsc3ccccc32)CCC1 ZINC000905458722 637823208 /nfs/dbraw/zinc/82/32/08/637823208.db2.gz WUPHWSNFBGRTBR-UHFFFAOYSA-N 0 1 248.351 2.301 20 0 BEADMN CC/C=C\CCn1cc(CNC(C)C)nn1 ZINC000905802646 637933609 /nfs/dbraw/zinc/93/36/09/637933609.db2.gz ZSMUIRYKQUQIRW-WAYWQWQTSA-N 0 1 222.336 2.132 20 0 BEADMN C[C@H]1CCN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000905974663 637991876 /nfs/dbraw/zinc/99/18/76/637991876.db2.gz LUTJRNFVAYTQSM-QPUJVOFHSA-N 0 1 227.254 2.092 20 0 BEADMN C[C@@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000905975831 637992770 /nfs/dbraw/zinc/99/27/70/637992770.db2.gz VSDPGOLCKLBQQH-PELKAZGASA-N 0 1 227.254 2.092 20 0 BEADMN CNCc1ncc(-c2cc(C)ccc2C)cn1 ZINC000906166043 638081385 /nfs/dbraw/zinc/08/13/85/638081385.db2.gz VNEUUILGGXBGBJ-UHFFFAOYSA-N 0 1 227.311 2.480 20 0 BEADMN CCn1ncnc1-c1ccc2n[nH]c(C)c2c1 ZINC000906205040 638105350 /nfs/dbraw/zinc/10/53/50/638105350.db2.gz GIFQLBAGXFTWGW-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906272513 638123852 /nfs/dbraw/zinc/12/38/52/638123852.db2.gz MRRRZGAPNFFVIJ-QWRGUYRKSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906303295 638138843 /nfs/dbraw/zinc/13/88/43/638138843.db2.gz ULBKZNRVJCDVQT-WOPDTQHZSA-N 0 1 248.374 2.479 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cnn(C(C)C)c1 ZINC000906523552 638189726 /nfs/dbraw/zinc/18/97/26/638189726.db2.gz RMZWLFXLTRJZRJ-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN C[C@H](CNC(=O)c1ccc(CN)o1)C(C)(C)C ZINC000149240570 638250054 /nfs/dbraw/zinc/25/00/54/638250054.db2.gz UIQOUZRLFXEATG-SECBINFHSA-N 0 1 238.331 2.150 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC000907629597 638424531 /nfs/dbraw/zinc/42/45/31/638424531.db2.gz FYUCKLLJHQOHHQ-GHMZBOCLSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC000907630647 638424716 /nfs/dbraw/zinc/42/47/16/638424716.db2.gz MZLGYAQRADCMAP-IUCAKERBSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)CCF ZINC000907693587 638449022 /nfs/dbraw/zinc/44/90/22/638449022.db2.gz GSZBOWVPCUJPRX-UHFFFAOYSA-N 0 1 221.235 2.169 20 0 BEADMN CC(C)(C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000907922536 638512046 /nfs/dbraw/zinc/51/20/46/638512046.db2.gz YRSVTEAIVAWMRR-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC(=C(F)C(=O)N[C@H](C)c1ncc[nH]1)C1CC1 ZINC000908340474 638657832 /nfs/dbraw/zinc/65/78/32/638657832.db2.gz SLAGWYYHOOJUPZ-FBHKUJJOSA-N 0 1 237.278 2.240 20 0 BEADMN CCC1(C(=O)Nc2cccc3[nH]nnc32)CCC1 ZINC000908699635 639048934 /nfs/dbraw/zinc/04/89/34/639048934.db2.gz FMBWYOTYQKJJGP-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CCC1(C(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000908699610 639049077 /nfs/dbraw/zinc/04/90/77/639049077.db2.gz DOAGXOSGMHFSGZ-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN CC[C@H](NC(=O)Cc1cnc[nH]1)C1CCCC1 ZINC000909279834 639193672 /nfs/dbraw/zinc/19/36/72/639193672.db2.gz MGARFJKCPCSTDM-LBPRGKRZSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000910396973 639438455 /nfs/dbraw/zinc/43/84/55/639438455.db2.gz GDEZCCNYAZVTFD-WDEREUQCSA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cccc(N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])[nH+]1 ZINC000910457185 639456779 /nfs/dbraw/zinc/45/67/79/639456779.db2.gz UPLXOGNUTKKZGH-DMDPSCGWSA-N 0 1 246.310 2.080 20 0 BEADMN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000910470522 639462445 /nfs/dbraw/zinc/46/24/45/639462445.db2.gz SEFWNOMBQOPQPD-VXGBXAGGSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1 ZINC000910481741 639468485 /nfs/dbraw/zinc/46/84/85/639468485.db2.gz APPLPEVYPNOISY-OPQQBVKSSA-N 0 1 232.283 2.055 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]ncc1F)[C@H]1CC1(C)C ZINC000910925311 639540540 /nfs/dbraw/zinc/54/05/40/639540540.db2.gz IMKAIBVNSNGOHW-VXNVDRBHSA-N 0 1 239.294 2.103 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N)nc1 ZINC000930222058 639641494 /nfs/dbraw/zinc/64/14/94/639641494.db2.gz LJOSHBQNFBPZNB-MRVPVSSYSA-N 0 1 246.314 2.119 20 0 BEADMN CCc1onc(C)c1CN1CCOCC[C@@H]1C ZINC000930236477 639646797 /nfs/dbraw/zinc/64/67/97/639646797.db2.gz WZIGCUULXNGMQG-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN CC[C@H]1C[N@@H+](CCc2ccns2)CCCO1 ZINC000930317717 639701877 /nfs/dbraw/zinc/70/18/77/639701877.db2.gz UAXRUPAYAXCJNS-NSHDSACASA-N 0 1 240.372 2.187 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ncccn1 ZINC000930326076 639708477 /nfs/dbraw/zinc/70/84/77/639708477.db2.gz VPWKNHZXPYTAFF-SRVKXCTJSA-N 0 1 235.331 2.085 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ncccn1 ZINC000930326077 639710698 /nfs/dbraw/zinc/71/06/98/639710698.db2.gz VPWKNHZXPYTAFF-WOPDTQHZSA-N 0 1 235.331 2.085 20 0 BEADMN CCOC[C@H](N[C@@H](C)c1ncccn1)C(C)C ZINC000930436085 639752182 /nfs/dbraw/zinc/75/21/82/639752182.db2.gz XIYLODUCWQCYPK-RYUDHWBXSA-N 0 1 237.347 2.188 20 0 BEADMN CCC[C@@]1(NCc2cnc(CC)o2)CCOC1 ZINC000930462702 639764282 /nfs/dbraw/zinc/76/42/82/639764282.db2.gz ZNKLCXWBDCOPEP-CYBMUJFWSA-N 0 1 238.331 2.286 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(N)nc2)CCC1(F)F ZINC000930514563 639795820 /nfs/dbraw/zinc/79/58/20/639795820.db2.gz YEZBANPIJLSAQV-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN C[C@@H]1CN(Cc2ccc(N)nc2)CCC1(F)F ZINC000930514563 639795829 /nfs/dbraw/zinc/79/58/29/639795829.db2.gz YEZBANPIJLSAQV-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN CCN(C[C@@H](C)OC)[C@H](C)c1snnc1C ZINC000930541507 639808148 /nfs/dbraw/zinc/80/81/48/639808148.db2.gz VIVNYCZMAUJKET-PSASIEDQSA-N 0 1 243.376 2.264 20 0 BEADMN c1ccc(C2=CCCN(CCOC3CC3)C2)nc1 ZINC000930570158 639812735 /nfs/dbraw/zinc/81/27/35/639812735.db2.gz QIMSVYFBOQOSLW-UHFFFAOYSA-N 0 1 244.338 2.350 20 0 BEADMN CCc1onc(C)c1CN1C[C@@H](C)[C@H]1C ZINC000930581944 639813726 /nfs/dbraw/zinc/81/37/26/639813726.db2.gz KFOOFJWHRMKSHW-PSASIEDQSA-N 0 1 208.305 2.386 20 0 BEADMN C[C@H](NCCCc1cccnc1)c1csnn1 ZINC000930727517 639882972 /nfs/dbraw/zinc/88/29/72/639882972.db2.gz VDPBKBNFJIRWNI-JTQLQIEISA-N 0 1 248.355 2.217 20 0 BEADMN CC(C)[C@@H](C(=O)N(C)c1ccsc1)N(C)C ZINC000912008949 639920241 /nfs/dbraw/zinc/92/02/41/639920241.db2.gz DRFLDWGMAFNSNP-NSHDSACASA-N 0 1 240.372 2.297 20 0 BEADMN CN(C)C1(C(=O)N(C)c2ccsc2)CCC1 ZINC000912003347 639920904 /nfs/dbraw/zinc/92/09/04/639920904.db2.gz JYBGQAPLEUWFEX-UHFFFAOYSA-N 0 1 238.356 2.195 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C(C)=C(C)C)C[C@@H]1C ZINC000912023016 639928298 /nfs/dbraw/zinc/92/82/98/639928298.db2.gz BSBCCUAGWXRJOQ-TXEJJXNPSA-N 0 1 238.375 2.284 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)[C@@H](C)CO1 ZINC000930851305 639947415 /nfs/dbraw/zinc/94/74/15/639947415.db2.gz AYKBJWRJXVIMLG-BLJGWETHSA-N 0 1 227.348 2.078 20 0 BEADMN C[C@H](C1CC1)N1Cc2ccccc2NC(=O)C1 ZINC000930885899 639971750 /nfs/dbraw/zinc/97/17/50/639971750.db2.gz BZGMZAXZTGMJQH-SNVBAGLBSA-N 0 1 230.311 2.239 20 0 BEADMN COCCN(CCF)CCCC(C)(F)F ZINC000930973871 640010583 /nfs/dbraw/zinc/01/05/83/640010583.db2.gz NPUWYLUVXNBPSH-UHFFFAOYSA-N 0 1 227.270 2.340 20 0 BEADMN CCCN(C)C(=O)c1cccc(F)c1O ZINC000931109499 640067645 /nfs/dbraw/zinc/06/76/45/640067645.db2.gz VOKOVBFTHFEGBY-UHFFFAOYSA-N 0 1 211.236 2.013 20 0 BEADMN O=C(c1cnc[nH]1)N1CC=CC12CCCCC2 ZINC000912480212 640093679 /nfs/dbraw/zinc/09/36/79/640093679.db2.gz DKXNDCALSKPUMC-UHFFFAOYSA-N 0 1 231.299 2.125 20 0 BEADMN Cc1cn(C)nc1CN1CCC(CCF)CC1 ZINC000931465350 640222373 /nfs/dbraw/zinc/22/23/73/640222373.db2.gz OXGHFRGFSHMHEJ-UHFFFAOYSA-N 0 1 239.338 2.300 20 0 BEADMN C[C@H]1CN(Cc2cccc(N)c2)Cc2c[nH]nc21 ZINC000931462231 640224280 /nfs/dbraw/zinc/22/42/80/640224280.db2.gz LWOWRKSWRUBIFI-JTQLQIEISA-N 0 1 242.326 2.111 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccc(N)nc2)s1 ZINC000931467340 640225499 /nfs/dbraw/zinc/22/54/99/640225499.db2.gz IWKMHYDXWNZULO-QMMMGPOBSA-N 0 1 248.355 2.280 20 0 BEADMN O=C(C1CCC=CCC1)N1CC[C@@H](N2CCC2)C1 ZINC000912901041 640231654 /nfs/dbraw/zinc/23/16/54/640231654.db2.gz XIHKQRITZBGIIN-CQSZACIVSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)c(C)nn1 ZINC000931505418 640238260 /nfs/dbraw/zinc/23/82/60/640238260.db2.gz VCRMTOLDEHECPK-UHFFFAOYSA-N 0 1 237.322 2.417 20 0 BEADMN CC[C@H](CO)N[C@H](CF)c1ccc(F)cc1 ZINC000931559226 640273759 /nfs/dbraw/zinc/27/37/59/640273759.db2.gz WSXWZMIFNHAWHX-VXGBXAGGSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@@H](OC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000151149772 640310128 /nfs/dbraw/zinc/31/01/28/640310128.db2.gz ODMYZNNNKSZDAU-SNVBAGLBSA-N 0 1 245.282 2.042 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N1CCC(F)CC1 ZINC000931686946 640314610 /nfs/dbraw/zinc/31/46/10/640314610.db2.gz RMRPTEUVEOIQBG-KOLCDFICSA-N 0 1 231.311 2.008 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1ncccn1 ZINC000931702289 640325379 /nfs/dbraw/zinc/32/53/79/640325379.db2.gz NFDYENFNXPKGBI-SCRDCRAPSA-N 0 1 247.342 2.229 20 0 BEADMN CC[C@@H](CO)NCc1nsc2ccccc12 ZINC000931772180 640364685 /nfs/dbraw/zinc/36/46/85/640364685.db2.gz IOOFXOUPDLISRK-VIFPVBQESA-N 0 1 236.340 2.157 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CCCC1 ZINC000913532943 640389155 /nfs/dbraw/zinc/38/91/55/640389155.db2.gz HTOWJUKRPGLNFT-JDPNTUOHSA-N 0 1 248.370 2.038 20 0 BEADMN Cc1ccncc1NC(=O)[C@H]1CCCN1C(C)C ZINC000931993822 640404309 /nfs/dbraw/zinc/40/43/09/640404309.db2.gz RODGTMLREYLLBO-CYBMUJFWSA-N 0 1 247.342 2.201 20 0 BEADMN COc1cc(C)ccc1NCc1cnc[nH]1 ZINC000054765087 640408298 /nfs/dbraw/zinc/40/82/98/640408298.db2.gz GOWBTGBBMQDPCZ-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN Cn1ccc([C@@H]2CCCN(C/C=C\Cl)C2)n1 ZINC000932138789 640438133 /nfs/dbraw/zinc/43/81/33/640438133.db2.gz YJOXIJKAKXTHJB-ZTYXWKCZSA-N 0 1 239.750 2.352 20 0 BEADMN CC[C@H](C)Cc1nc([C@@H](N)C(C)C)no1 ZINC000164654906 640495905 /nfs/dbraw/zinc/49/59/05/640495905.db2.gz QGURCHIMPQQULA-WPRPVWTQSA-N 0 1 211.309 2.314 20 0 BEADMN CCSCCN[C@@H](c1ncccn1)C1CC1 ZINC000932358422 640498455 /nfs/dbraw/zinc/49/84/55/640498455.db2.gz YQYUFLZSSSWAIB-LLVKDONJSA-N 0 1 237.372 2.270 20 0 BEADMN CCC(=O)NC1CN(CC2CCC(C)CC2)C1 ZINC001030040567 640533097 /nfs/dbraw/zinc/53/30/97/640533097.db2.gz SSTYWJOJBCMQAT-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)=CCN(C)Cc1cccc(C(N)=O)c1 ZINC000056514980 640548222 /nfs/dbraw/zinc/54/82/22/640548222.db2.gz RJZNTVOHEBAFDI-UHFFFAOYSA-N 0 1 232.327 2.184 20 0 BEADMN CC[N@H+](CCC(=O)[O-])Cc1ncc(Cl)s1 ZINC000223284299 640548963 /nfs/dbraw/zinc/54/89/63/640548963.db2.gz JVMGASGAUUSYHQ-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ncc(Cl)s1 ZINC000223284299 640548972 /nfs/dbraw/zinc/54/89/72/640548972.db2.gz JVMGASGAUUSYHQ-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN C[C@H]1C[C@H](CN2CCn3cccc3C2)CCO1 ZINC000932524479 640563990 /nfs/dbraw/zinc/56/39/90/640563990.db2.gz LAZOBWCNTSBDSJ-QWHCGFSZSA-N 0 1 234.343 2.119 20 0 BEADMN FC(F)(F)OCCCN1CCn2cccc2C1 ZINC000932525934 640564709 /nfs/dbraw/zinc/56/47/09/640564709.db2.gz IWGXDFUFEZRRPV-UHFFFAOYSA-N 0 1 248.248 2.230 20 0 BEADMN c1cc2n(c1)CCN([C@@H]1C=CCCC1)C2 ZINC000932529444 640571247 /nfs/dbraw/zinc/57/12/47/640571247.db2.gz PKEPQPCSQVHMNK-GFCCVEGCSA-N 0 1 202.301 2.412 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCn2nc(C3CC3)cc2C1 ZINC000932601645 640581708 /nfs/dbraw/zinc/58/17/08/640581708.db2.gz QCWRFQAZUSPAJE-PWSUYJOCSA-N 0 1 231.343 2.232 20 0 BEADMN FCCCCN1CCn2nc(C3CC3)cc2C1 ZINC000932604102 640581918 /nfs/dbraw/zinc/58/19/18/640581918.db2.gz KIAQXHZBOVCHOP-UHFFFAOYSA-N 0 1 237.322 2.326 20 0 BEADMN FC(F)(F)c1cc2n(n1)CCN(CC1CC1)C2 ZINC000932597447 640582819 /nfs/dbraw/zinc/58/28/19/640582819.db2.gz AXTCICWCKRQTTB-UHFFFAOYSA-N 0 1 245.248 2.128 20 0 BEADMN OC1(C2CCC2)CCN(C/C=C/Cl)CC1 ZINC000932820843 640614209 /nfs/dbraw/zinc/61/42/09/640614209.db2.gz UUJLLYWVPREZCT-FARCUNLSSA-N 0 1 229.751 2.366 20 0 BEADMN OC1(C2CCC2)CCN(Cc2cccnc2)CC1 ZINC000932821567 640614493 /nfs/dbraw/zinc/61/44/93/640614493.db2.gz VEKBONMNUPOOOE-UHFFFAOYSA-N 0 1 246.354 2.209 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCSC1)C1CCCC1 ZINC000224694762 640631321 /nfs/dbraw/zinc/63/13/21/640631321.db2.gz FJPFGNBKERMZIG-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H](NCCNc1ccccc1)c1ncc[nH]1 ZINC000225048938 640659252 /nfs/dbraw/zinc/65/92/52/640659252.db2.gz OCUIAUYJINLPFA-NSHDSACASA-N 0 1 230.315 2.172 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1cccc(F)c1O ZINC000933177814 640675118 /nfs/dbraw/zinc/67/51/18/640675118.db2.gz BJJGDQIYGKDCMI-SECBINFHSA-N 0 1 235.258 2.370 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCOC[C@@H]2CC2CC2)O1 ZINC000933206989 640679004 /nfs/dbraw/zinc/67/90/04/640679004.db2.gz AXOACMYNXACPIL-XBFCOCLRSA-N 0 1 239.359 2.055 20 0 BEADMN C(CN1CCOC[C@@H]1CC1CC1)OC1CCC1 ZINC000933214955 640683533 /nfs/dbraw/zinc/68/35/33/640683533.db2.gz OZGXQPDBVBCUCZ-ZDUSSCGKSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000933223572 640684757 /nfs/dbraw/zinc/68/47/57/640684757.db2.gz VLQXOCXCFWIGIY-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CC[C@@H]1C(=O)NCCCN1Cc1ccc(C)cc1 ZINC000933223572 640684761 /nfs/dbraw/zinc/68/47/61/640684761.db2.gz VLQXOCXCFWIGIY-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1C ZINC000933226357 640685917 /nfs/dbraw/zinc/68/59/17/640685917.db2.gz VKCUIMHOTQEMEK-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CCC[C@@H](C)N1CCc2c(ncn2CC)C1 ZINC000933253656 640690527 /nfs/dbraw/zinc/69/05/27/640690527.db2.gz JENMVACDCFOKAZ-LLVKDONJSA-N 0 1 221.348 2.450 20 0 BEADMN CC1(C)C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000225425020 640692211 /nfs/dbraw/zinc/69/22/11/640692211.db2.gz OPLCEFUAQLUGML-JGVFFNPUSA-N 0 1 207.277 2.008 20 0 BEADMN CCn1cnc2c1CCN(C/C=C/Cl)C2 ZINC000933262088 640692840 /nfs/dbraw/zinc/69/28/40/640692840.db2.gz ZIXPTVHXXIXWDK-HWKANZROSA-N 0 1 225.723 2.014 20 0 BEADMN C[C@]12CN(Cc3ncccn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933704819 640748163 /nfs/dbraw/zinc/74/81/63/640748163.db2.gz ABOSCMFUDPEOMU-SFDCQRBFSA-N 0 1 243.354 2.345 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC000226877547 640801799 /nfs/dbraw/zinc/80/17/99/640801799.db2.gz GIMHJFRGOXXEOU-WXGCRTCVSA-N 0 1 231.723 2.458 20 0 BEADMN c1cc(CN(Cc2cnc[nH]2)C2CC2)co1 ZINC000934003758 640804563 /nfs/dbraw/zinc/80/45/63/640804563.db2.gz IYTKOBBMCHPEIJ-UHFFFAOYSA-N 0 1 217.272 2.167 20 0 BEADMN CC(C)COc1cccc(CN2CC[C@H]2CO)c1 ZINC000934011005 640806031 /nfs/dbraw/zinc/80/60/31/640806031.db2.gz HWAXGIXSGITMAM-AWEZNQCLSA-N 0 1 249.354 2.288 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cnc(C)s1 ZINC000934103767 640812055 /nfs/dbraw/zinc/81/20/55/640812055.db2.gz FSRCRMDRRGPXPL-WDEREUQCSA-N 0 1 226.345 2.061 20 0 BEADMN CC1(CNC(=O)c2cc(F)cc(F)c2O)CC1 ZINC000934065300 640812827 /nfs/dbraw/zinc/81/28/27/640812827.db2.gz BGNJFRRGLXOMGZ-UHFFFAOYSA-N 0 1 241.237 2.200 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCCC2CCC2)cc1 ZINC000228088244 640859843 /nfs/dbraw/zinc/85/98/43/640859843.db2.gz QMVYEZUPKXTSDL-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN CCCN[C@H](C)c1nc(-c2cncs2)no1 ZINC000087575440 640930351 /nfs/dbraw/zinc/93/03/51/640930351.db2.gz XDSIGFBRDWFYJC-SSDOTTSWSA-N 0 1 238.316 2.254 20 0 BEADMN CCOC(=O)/C=C/CN(C)Cc1cccs1 ZINC000087638694 640953121 /nfs/dbraw/zinc/95/31/21/640953121.db2.gz COODDWWMJXXAPH-QPJJXVBHSA-N 0 1 239.340 2.299 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccc(Cl)nc1 ZINC000723032234 711496443 /nfs/dbraw/zinc/49/64/43/711496443.db2.gz JHXOYCPUNQDJPC-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN Cc1cncc(CNCc2ccoc2)c1 ZINC000230313199 641045786 /nfs/dbraw/zinc/04/57/86/641045786.db2.gz JIVOWZGOOSPANN-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN CCCCC1(NCc2ncnn2CC)CC1 ZINC000934204091 641100522 /nfs/dbraw/zinc/10/05/22/641100522.db2.gz YIEBGCUAMVXAEF-UHFFFAOYSA-N 0 1 222.336 2.110 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccsc2)C1 ZINC000062875872 641102765 /nfs/dbraw/zinc/10/27/65/641102765.db2.gz WNRZTOLKFABKDC-LBPRGKRZSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1cnc(CN[C@@H](C)Cc2cccnc2)o1 ZINC000934225701 641104649 /nfs/dbraw/zinc/10/46/49/641104649.db2.gz DHBYSUNYIWIIHU-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN C[C@H](Cc1cccnc1)N[C@@H](C)c1csnn1 ZINC000934229271 641108645 /nfs/dbraw/zinc/10/86/45/641108645.db2.gz IERKXMMKYUUWEA-ZJUUUORDSA-N 0 1 248.355 2.215 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)CC(C)C ZINC000172807919 641116701 /nfs/dbraw/zinc/11/67/01/641116701.db2.gz OAZRMOLXILOUEY-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cnc(CN2CCCSC[C@@H]2C)cn1 ZINC000934298780 641119471 /nfs/dbraw/zinc/11/94/71/641119471.db2.gz CBHLYMHICPZEMG-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN CC(=O)CCN1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934329165 641126892 /nfs/dbraw/zinc/12/68/92/641126892.db2.gz WVOHXLYCKPFRIF-ZDUSSCGKSA-N 0 1 246.354 2.176 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960106 641135920 /nfs/dbraw/zinc/13/59/20/641135920.db2.gz LVYZERXWVXGGMC-UTUOFQBUSA-N 0 1 239.359 2.306 20 0 BEADMN CN(Cc1cnc(Cl)cn1)[C@H]1CCSC1 ZINC000231276468 641151371 /nfs/dbraw/zinc/15/13/71/641151371.db2.gz LMEFFWXDOLYQCF-VIFPVBQESA-N 0 1 243.763 2.067 20 0 BEADMN C[C@@H]1CN(Cc2cnc(Cl)cn2)C[C@H]1C ZINC000231282972 641153391 /nfs/dbraw/zinc/15/33/91/641153391.db2.gz SOKJRFCWXMXUMG-RKDXNWHRSA-N 0 1 225.723 2.218 20 0 BEADMN O[C@@H]1CCN(CCC2CCCCC2)C[C@H]1F ZINC000934565212 641197331 /nfs/dbraw/zinc/19/73/31/641197331.db2.gz GOQSCDPEIUEUHV-CHWSQXEVSA-N 0 1 229.339 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](O)[C@H](F)C2)C1 ZINC000934571100 641199687 /nfs/dbraw/zinc/19/96/87/641199687.db2.gz ORCVCVBBKJURDO-YVECIDJPSA-N 0 1 229.339 2.217 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN(C)CC2CC2)C1 ZINC000174073280 641241645 /nfs/dbraw/zinc/24/16/45/641241645.db2.gz SYVPLBXKANUJJI-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@]12C[C@H]1CCC2 ZINC000934897369 641297283 /nfs/dbraw/zinc/29/72/83/641297283.db2.gz KRSFWSSOQQFUCO-UHIISALHSA-N 0 1 245.326 2.094 20 0 BEADMN O=C(NCC1(C2CC2)CC1)c1cccc(F)c1O ZINC000935049169 641325978 /nfs/dbraw/zinc/32/59/78/641325978.db2.gz VYRIGAXKIYYKOZ-UHFFFAOYSA-N 0 1 249.285 2.451 20 0 BEADMN CCc1onc(C)c1CN1CCCO[C@H](C)C1 ZINC000929489383 641332257 /nfs/dbraw/zinc/33/22/57/641332257.db2.gz SEFROUCSJQIHTC-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CCC2(C)CC2)CCN1C ZINC000935214543 641366585 /nfs/dbraw/zinc/36/65/85/641366585.db2.gz RKVYENPJYKGVPJ-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccoc2)C1 ZINC000232754749 641418482 /nfs/dbraw/zinc/41/84/82/641418482.db2.gz GAJDBQKUJWSJRL-ZDUSSCGKSA-N 0 1 237.299 2.212 20 0 BEADMN C[C@]1(C(=O)NOCCC(F)(F)F)C=CCC1 ZINC000935501256 641420973 /nfs/dbraw/zinc/42/09/73/641420973.db2.gz GBNJVLUUYQXOHI-VIFPVBQESA-N 0 1 237.221 2.343 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)NC12CCN(CC1)C2 ZINC000913628673 641432229 /nfs/dbraw/zinc/43/22/29/641432229.db2.gz NLHPYHUELGKTOZ-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NC12CCN(CC1)C2 ZINC000913635090 641436983 /nfs/dbraw/zinc/43/69/83/641436983.db2.gz QMBAJZADELHHFU-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)(C)c1ccccc1C(=O)Nc1c[nH]nn1 ZINC000935596676 641440571 /nfs/dbraw/zinc/44/05/71/641440571.db2.gz PWGWTGBIBZUMNM-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CC[C@H](C)CCCCC(=O)Nc1c[nH]nn1 ZINC000935596969 641441075 /nfs/dbraw/zinc/44/10/75/641441075.db2.gz XZANUILGRDHMIG-VIFPVBQESA-N 0 1 224.308 2.350 20 0 BEADMN CC(C)(C)CCCCC(=O)Nc1c[nH]nn1 ZINC000935597894 641442810 /nfs/dbraw/zinc/44/28/10/641442810.db2.gz PDBJOCYZYIYKRO-UHFFFAOYSA-N 0 1 224.308 2.350 20 0 BEADMN CC1=CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000935792148 641485002 /nfs/dbraw/zinc/48/50/02/641485002.db2.gz OEEJRMJVYOAWLC-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC[C@H]2C[C@H]21 ZINC000935924175 641503430 /nfs/dbraw/zinc/50/34/30/641503430.db2.gz QSEBNHPMXSGNJX-GZMMTYOYSA-N 0 1 235.258 2.156 20 0 BEADMN C[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])no1)C(C)(C)C ZINC000042771167 641557636 /nfs/dbraw/zinc/55/76/36/641557636.db2.gz DURMNCJYQIQKIF-QMMMGPOBSA-N 0 1 240.303 2.239 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ncsc1C1CC1 ZINC000914115186 641571541 /nfs/dbraw/zinc/57/15/41/641571541.db2.gz UNSBBUKBQOAPIP-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CCC(=CC(=O)N1[C@H](C)CN(C)C[C@H]1C)CC ZINC000155766771 641581569 /nfs/dbraw/zinc/58/15/69/641581569.db2.gz WWUTUPBQYJMKPY-VXGBXAGGSA-N 0 1 238.375 2.284 20 0 BEADMN CCc1cccnc1-c1noc(CNC(C)C)n1 ZINC000157303962 641615682 /nfs/dbraw/zinc/61/56/82/641615682.db2.gz AZJXHUDTKAZWSL-UHFFFAOYSA-N 0 1 246.314 2.192 20 0 BEADMN CCC[C@@H](C)CCNC(=O)CN1CCCC1 ZINC000914364145 641646367 /nfs/dbraw/zinc/64/63/67/641646367.db2.gz PZQWJZYPPSWKMZ-GFCCVEGCSA-N 0 1 226.364 2.025 20 0 BEADMN CN(CCOC1CC1)Cc1cc(Cl)cn1C ZINC000929825841 641703497 /nfs/dbraw/zinc/70/34/97/641703497.db2.gz RIKKQJAREXIQCK-UHFFFAOYSA-N 0 1 242.750 2.289 20 0 BEADMN CC[C@@H](CO)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000929834972 641730107 /nfs/dbraw/zinc/73/01/07/641730107.db2.gz QRSWHKYBQNMJOT-LSDHHAIUSA-N 0 1 249.354 2.005 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(CC(C)C)CC1 ZINC000914687967 641750450 /nfs/dbraw/zinc/75/04/50/641750450.db2.gz TXRWYJMTRJNZAQ-AWNIVKPZSA-N 0 1 238.375 2.143 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CCN[C@H](C)C1 ZINC000188367877 641753492 /nfs/dbraw/zinc/75/34/92/641753492.db2.gz VRJLSZFPXKVZCG-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000076013101 641785825 /nfs/dbraw/zinc/78/58/25/641785825.db2.gz RZRZBMYBHHDABZ-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@]1(C)CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000076146042 641794154 /nfs/dbraw/zinc/79/41/54/641794154.db2.gz JTWVTPPYCXFZRI-DGCLKSJQSA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@]1(C)CCCN([C@@H]2CCOC2=O)C1 ZINC000076146042 641794158 /nfs/dbraw/zinc/79/41/58/641794158.db2.gz JTWVTPPYCXFZRI-DGCLKSJQSA-N 0 1 225.332 2.204 20 0 BEADMN CCN(Cc1ccc(F)nc1)C[C@@H]1CCCO1 ZINC000189306474 641802588 /nfs/dbraw/zinc/80/25/88/641802588.db2.gz WPLHJEROQXZDMQ-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)C(=O)CN2CCCC2)C1 ZINC000915216409 641809332 /nfs/dbraw/zinc/80/93/32/641809332.db2.gz IRAPEXQPDNLCDA-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CCN(CCC(N)=O)Cc1ccccc1Cl ZINC000915225914 641811002 /nfs/dbraw/zinc/81/10/02/641811002.db2.gz GFGOWBAGSANVSF-UHFFFAOYSA-N 0 1 240.734 2.037 20 0 BEADMN CCc1cccc(CN2CCC3(C2)OCCO3)c1 ZINC000189657900 641815495 /nfs/dbraw/zinc/81/54/95/641815495.db2.gz AMJRFTICLWOMFI-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043964 641837499 /nfs/dbraw/zinc/83/74/99/641837499.db2.gz HCZYGNCMSGAKEO-RNFRBKRXSA-N 0 1 248.311 2.128 20 0 BEADMN Cc1cn[nH]c1CSC1=NCCS1 ZINC000915588575 641839687 /nfs/dbraw/zinc/83/96/87/641839687.db2.gz VSTZNDDZZFNMEP-UHFFFAOYSA-N 0 1 213.331 2.054 20 0 BEADMN Cc1cn[nH]c1CSc1nnc(C2CC2)n1C ZINC000915835419 641864821 /nfs/dbraw/zinc/86/48/21/641864821.db2.gz QMGSBDKZSJWJPX-UHFFFAOYSA-N 0 1 249.343 2.016 20 0 BEADMN O=C(CCCCc1cn[nH]n1)Oc1ccccc1 ZINC000190517226 641869743 /nfs/dbraw/zinc/86/97/43/641869743.db2.gz GCBQYLYNLQKOSN-UHFFFAOYSA-N 0 1 245.282 2.123 20 0 BEADMN C[C@H](NCC1(C)OCCCO1)c1ccoc1 ZINC000190667406 641880031 /nfs/dbraw/zinc/88/00/31/641880031.db2.gz XOKKYNYBHHJGMD-JTQLQIEISA-N 0 1 225.288 2.083 20 0 BEADMN CC(C(=O)N1C[C@@H](C)N[C@H](C)C1)=C1CCCC1 ZINC000153848430 641907218 /nfs/dbraw/zinc/90/72/18/641907218.db2.gz XESPJNWRUBBHSD-GHMZBOCLSA-N 0 1 236.359 2.086 20 0 BEADMN CC[C@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000153867408 641913257 /nfs/dbraw/zinc/91/32/57/641913257.db2.gz HHMOJVVCHWRXAD-JTQLQIEISA-N 0 1 234.299 2.031 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc2c(c1)CCC2 ZINC000916154126 641913961 /nfs/dbraw/zinc/91/39/61/641913961.db2.gz YAOPZIFBOWOPMI-GFCCVEGCSA-N 0 1 246.335 2.142 20 0 BEADMN CCCCCCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154008447 641939617 /nfs/dbraw/zinc/93/96/17/641939617.db2.gz RWSIRUXKYAFQNQ-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1n[nH]c(SCOC(=O)CC(C)C)n1 ZINC000916515510 641940744 /nfs/dbraw/zinc/94/07/44/641940744.db2.gz QKGFSNXGAJCUQB-UHFFFAOYSA-N 0 1 243.332 2.006 20 0 BEADMN CCc1nc(SCOC(=O)CC(C)C)n[nH]1 ZINC000916515510 641940749 /nfs/dbraw/zinc/94/07/49/641940749.db2.gz QKGFSNXGAJCUQB-UHFFFAOYSA-N 0 1 243.332 2.006 20 0 BEADMN CCc1nnc(SCc2cc(C)nnc2C)[nH]1 ZINC000916515517 641941004 /nfs/dbraw/zinc/94/10/04/641941004.db2.gz QPFUUYLAHBFLCG-UHFFFAOYSA-N 0 1 249.343 2.066 20 0 BEADMN CCc1n[nH]c(SCc2cc(C)nnc2C)n1 ZINC000916515517 641941009 /nfs/dbraw/zinc/94/10/09/641941009.db2.gz QPFUUYLAHBFLCG-UHFFFAOYSA-N 0 1 249.343 2.066 20 0 BEADMN CCCCC[C@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000154114244 641963542 /nfs/dbraw/zinc/96/35/42/641963542.db2.gz YFLIKZSODOOJQB-JTQLQIEISA-N 0 1 237.347 2.346 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cc(C)cc(C)c1 ZINC000917202126 642029267 /nfs/dbraw/zinc/02/92/67/642029267.db2.gz ZJDBUNXWTQFCHA-GFCCVEGCSA-N 0 1 248.351 2.411 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCCC(C)C ZINC000917419109 642058155 /nfs/dbraw/zinc/05/81/55/642058155.db2.gz HWHMELHZEKCVIX-SECBINFHSA-N 0 1 214.334 2.030 20 0 BEADMN CC(C)N1CCC[C@H]1c1nc(-c2cocn2)no1 ZINC000924013817 642161578 /nfs/dbraw/zinc/16/15/78/642161578.db2.gz SJRGCBWOHVGEGX-JTQLQIEISA-N 0 1 248.286 2.270 20 0 BEADMN COc1ccnc(NCc2ccoc2)c1 ZINC000089805652 642309967 /nfs/dbraw/zinc/30/99/67/642309967.db2.gz JLBSUJNEEHPCTP-UHFFFAOYSA-N 0 1 204.229 2.295 20 0 BEADMN CC(C)OC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000919598352 642364731 /nfs/dbraw/zinc/36/47/31/642364731.db2.gz WHQYXUVSHFRFEK-NSHDSACASA-N 0 1 242.363 2.194 20 0 BEADMN Cc1ccc(CNC[C@H](O)c2ccco2)o1 ZINC000070125044 642420690 /nfs/dbraw/zinc/42/06/90/642420690.db2.gz ALMVUASKTRBWFD-NSHDSACASA-N 0 1 221.256 2.004 20 0 BEADMN OC[C@H](NC/C=C\Cl)c1ccsc1 ZINC000308188098 642482431 /nfs/dbraw/zinc/48/24/31/642482431.db2.gz KXQRDLIRGFCUDT-MBMUTDPPSA-N 0 1 217.721 2.124 20 0 BEADMN C[C@@H](n1[nH]c2c(c1=O)CCC2)C(C)(C)C ZINC000400357097 642482876 /nfs/dbraw/zinc/48/28/76/642482876.db2.gz WEZKZXTYUFSCFL-BDAKNGLRSA-N 0 1 208.305 2.419 20 0 BEADMN CC(C)[C@H](C)N(C)Cn1cc(Cl)cn1 ZINC000921188080 642583030 /nfs/dbraw/zinc/58/30/30/642583030.db2.gz XKBUTFLANSJMQL-VIFPVBQESA-N 0 1 215.728 2.470 20 0 BEADMN Cc1cnc(Cl)c(CNC[C@@H]2CCCO2)c1 ZINC000921476856 642635034 /nfs/dbraw/zinc/63/50/34/642635034.db2.gz PMIUEYAHXPVUKY-NSHDSACASA-N 0 1 240.734 2.312 20 0 BEADMN CCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000305076455 642637618 /nfs/dbraw/zinc/63/76/18/642637618.db2.gz OBGOUXAZJKNOFG-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cn1cccnc1=S ZINC000174958431 642643911 /nfs/dbraw/zinc/64/39/11/642643911.db2.gz VCPBCRVHVLPFMH-VHSXEESVSA-N 0 1 223.345 2.300 20 0 BEADMN CCC[C@H](C)n1cc(CNC(C)C)nn1 ZINC000233343331 642662896 /nfs/dbraw/zinc/66/28/96/642662896.db2.gz JWHCNXFCUIMEKS-JTQLQIEISA-N 0 1 210.325 2.137 20 0 BEADMN C[C@@]1(O)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180634432 642803312 /nfs/dbraw/zinc/80/33/12/642803312.db2.gz ZJIHSYTZUSBAQT-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN CC(=O)NC[C@H]1CCCCCN1C/C=C/Cl ZINC000968723298 642817264 /nfs/dbraw/zinc/81/72/64/642817264.db2.gz WQTXFYXHQUVNGB-HOSRBBHYSA-N 0 1 244.766 2.120 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001017348188 642973198 /nfs/dbraw/zinc/97/31/98/642973198.db2.gz WKICEGOHTUHOIF-MELADBBJSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017429236 642973734 /nfs/dbraw/zinc/97/37/34/642973734.db2.gz DAOPEWFVIKSEMZ-OKILXGFUSA-N 0 1 248.370 2.036 20 0 BEADMN CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001017473446 642976425 /nfs/dbraw/zinc/97/64/25/642976425.db2.gz NQZDZCSOEXIJBB-OKILXGFUSA-N 0 1 248.370 2.180 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H](C)CC1 ZINC000070158274 642978116 /nfs/dbraw/zinc/97/81/16/642978116.db2.gz DIDQXWVYYITNIS-LBPRGKRZSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H](C)c1nccn1C ZINC000070444215 643026114 /nfs/dbraw/zinc/02/61/14/643026114.db2.gz ZNARNNVHGGFMKK-MNOVXSKESA-N 0 1 233.315 2.295 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])o1 ZINC000070618185 643052883 /nfs/dbraw/zinc/05/28/83/643052883.db2.gz YEKPHMYBYKSKFL-GFCCVEGCSA-N 0 1 223.272 2.027 20 0 BEADMN CC(=O)[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000070913581 643085180 /nfs/dbraw/zinc/08/51/80/643085180.db2.gz HLGSLDLASYEFAW-VIFPVBQESA-N 0 1 223.238 2.240 20 0 BEADMN CCN(C(=O)CN1CCCC1)c1cccc(C)c1 ZINC000074693515 643094170 /nfs/dbraw/zinc/09/41/70/643094170.db2.gz OWTYYDCNMMDHJP-UHFFFAOYSA-N 0 1 246.354 2.444 20 0 BEADMN CC[C@@H]1OCC[C@H]1c1nc([C@@H](N)C(C)C)no1 ZINC000233969180 643123340 /nfs/dbraw/zinc/12/33/40/643123340.db2.gz BMLVGORWROTYMD-UTLUCORTSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1ccc(-n2cc(CNC(C)(C)C)nn2)cc1 ZINC000090299276 643152940 /nfs/dbraw/zinc/15/29/40/643152940.db2.gz FMHATKJYBHMQRH-UHFFFAOYSA-N 0 1 244.342 2.464 20 0 BEADMN CCCc1ccc(NC(=O)N2CCNCC2)cc1 ZINC000071561939 643155868 /nfs/dbraw/zinc/15/58/68/643155868.db2.gz IHFBTSFADLLSCO-UHFFFAOYSA-N 0 1 247.342 2.076 20 0 BEADMN Cl/C=C\CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000254972858 643192822 /nfs/dbraw/zinc/19/28/22/643192822.db2.gz QYFWIZBSDKOTDU-ODTOEKCJSA-N 0 1 225.723 2.342 20 0 BEADMN CN1CCN(C(=O)OC2CCCC2)CC1(C)C ZINC000306114348 643302779 /nfs/dbraw/zinc/30/27/79/643302779.db2.gz XXYSMKZGQPIQPF-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN CC(C)CC1CCN(Cc2cnnn2C)CC1 ZINC000092020757 643334056 /nfs/dbraw/zinc/33/40/56/643334056.db2.gz QCVWPDFCMXTTNX-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN OC[C@H]1c2ccccc2CCN1Cc1ccoc1 ZINC000093455611 643334981 /nfs/dbraw/zinc/33/49/81/643334981.db2.gz VSFGWMIRGQBZJR-HNNXBMFYSA-N 0 1 243.306 2.371 20 0 BEADMN c1ccc2sc(SCc3nn[nH]n3)nc2c1 ZINC000095251127 643343948 /nfs/dbraw/zinc/34/39/48/643343948.db2.gz FWJGFZYPHZLLLA-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN CC(C)=CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1 ZINC001032242137 643392992 /nfs/dbraw/zinc/39/29/92/643392992.db2.gz JJSURJAXJGSFQS-KBPBESRZSA-N 0 1 248.370 2.038 20 0 BEADMN C[C@H]1CCCC[C@H]1NCc1cnsn1 ZINC000307086327 643405469 /nfs/dbraw/zinc/40/54/69/643405469.db2.gz KERXYFLWOXCFDU-WCBMZHEXSA-N 0 1 211.334 2.206 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000234069796 643426021 /nfs/dbraw/zinc/42/60/21/643426021.db2.gz VOBWTTDGYPLCRM-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN CCCCOC(=O)CN(CCC)CC1CC1 ZINC000049800112 643443543 /nfs/dbraw/zinc/44/35/43/643443543.db2.gz HCQGGFPQWPUNGJ-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCCCOC(=O)CN(CC)CCCC ZINC000049800065 643443880 /nfs/dbraw/zinc/44/38/80/643443880.db2.gz MXHBZPZPCNUHFO-UHFFFAOYSA-N 0 1 215.337 2.452 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2CCCS2)n1 ZINC000070004737 643453421 /nfs/dbraw/zinc/45/34/21/643453421.db2.gz BTDYZEHMZIOGPP-SFYZADRCSA-N 0 1 227.333 2.294 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000336777217 643460827 /nfs/dbraw/zinc/46/08/27/643460827.db2.gz HSBSNHSZYMSKEO-DTWKUNHWSA-N 0 1 242.388 2.300 20 0 BEADMN CCc1nnc(SCC(F)(F)C(F)F)[nH]1 ZINC000733871536 643475434 /nfs/dbraw/zinc/47/54/34/643475434.db2.gz JTLOKHDGALIQNC-UHFFFAOYSA-N 0 1 243.229 2.360 20 0 BEADMN CCc1n[nH]c(SCC(F)(F)C(F)F)n1 ZINC000733871536 643475438 /nfs/dbraw/zinc/47/54/38/643475438.db2.gz JTLOKHDGALIQNC-UHFFFAOYSA-N 0 1 243.229 2.360 20 0 BEADMN CC[C@H](C)[N@@H+](CCc1cccs1)CC(=O)[O-] ZINC000082602639 643516341 /nfs/dbraw/zinc/51/63/41/643516341.db2.gz LYXXULFZVJBQPR-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)CC(C)(C)O1 ZINC000044477728 643543975 /nfs/dbraw/zinc/54/39/75/643543975.db2.gz KCNSMEUQUKYSHU-OCCSQVGLSA-N 0 1 249.354 2.219 20 0 BEADMN CCNCc1nc(-c2cc(F)cc(F)c2)no1 ZINC000044626219 643546223 /nfs/dbraw/zinc/54/62/23/643546223.db2.gz FDLVEZCJKGWMQK-UHFFFAOYSA-N 0 1 239.225 2.124 20 0 BEADMN CCCC[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638380 643600534 /nfs/dbraw/zinc/60/05/34/643600534.db2.gz PJRKPQKREHZHQX-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638428 643601860 /nfs/dbraw/zinc/60/18/60/643601860.db2.gz LTEZIQVQWDZTSG-JTQLQIEISA-N 0 1 215.337 2.464 20 0 BEADMN C/C(=C\C[N@H+]1CCc2sccc2C1)C(=O)[O-] ZINC000084002175 643640207 /nfs/dbraw/zinc/64/02/07/643640207.db2.gz JORVMACJZCTMEK-XNWCZRBMSA-N 0 1 237.324 2.137 20 0 BEADMN C[C@@H]1C[C@H]1NCc1csc(-c2ccn(C)n2)n1 ZINC000921686218 643740259 /nfs/dbraw/zinc/74/02/59/643740259.db2.gz PFHAWXJKGCVGAM-LDYMZIIASA-N 0 1 248.355 2.042 20 0 BEADMN C[C@H](NCc1ccnn1C1CCC1)c1cn[nH]c1 ZINC000921936148 643829380 /nfs/dbraw/zinc/82/93/80/643829380.db2.gz NNWIAYMMQJGAKW-JTQLQIEISA-N 0 1 245.330 2.182 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2CCO[C@H]2C)c1 ZINC000921951295 643831870 /nfs/dbraw/zinc/83/18/70/643831870.db2.gz VFWOPLTYLZGLSY-GXSJLCMTSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@@H](CF)NCc1cnn(CC2CCC2)c1 ZINC000922145182 643872234 /nfs/dbraw/zinc/87/22/34/643872234.db2.gz PJSZBNIDMDZAIK-JTQLQIEISA-N 0 1 225.311 2.131 20 0 BEADMN CCO[C@@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000922150561 643873002 /nfs/dbraw/zinc/87/30/02/643873002.db2.gz AQVHCICHQRGFIL-MWLCHTKSSA-N 0 1 221.291 2.231 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC000922160877 643881405 /nfs/dbraw/zinc/88/14/05/643881405.db2.gz YUVDUPYDQMWQQX-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN COC(=O)c1ccc(CN[C@@H]2C=CCC2)c(F)c1 ZINC000922242934 643915882 /nfs/dbraw/zinc/91/58/82/643915882.db2.gz ZPOCWLWSISNORH-GFCCVEGCSA-N 0 1 249.285 2.421 20 0 BEADMN Cc1[nH]nc(CNc2cc(F)ccn2)c1C ZINC000922379881 643982926 /nfs/dbraw/zinc/98/29/26/643982926.db2.gz HYUBMPAQGUITRY-UHFFFAOYSA-N 0 1 220.251 2.173 20 0 BEADMN CCn1nc(C)c(CNCC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC000922433550 643994631 /nfs/dbraw/zinc/99/46/31/643994631.db2.gz XAKNTLFRCXSRCM-AVGNSLFASA-N 0 1 248.374 2.132 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cn(C(C)(C)C)nn1 ZINC000922509790 644008346 /nfs/dbraw/zinc/00/83/46/644008346.db2.gz IBGGSAQZBPKXEH-FOUMNBMASA-N 0 1 248.374 2.167 20 0 BEADMN C[C@H]1Cc2cc(CNCc3c[nH]cn3)ccc2O1 ZINC000922701642 644072852 /nfs/dbraw/zinc/07/28/52/644072852.db2.gz MOTSTGDPVAZBBW-JTQLQIEISA-N 0 1 243.310 2.023 20 0 BEADMN C[C@@H]1Cc2cc(CNCc3c[nH]cn3)ccc2O1 ZINC000922701643 644073242 /nfs/dbraw/zinc/07/32/42/644073242.db2.gz MOTSTGDPVAZBBW-SNVBAGLBSA-N 0 1 243.310 2.023 20 0 BEADMN CCC[C@@H](O)CCNCc1csc(CC)n1 ZINC000922823777 644101225 /nfs/dbraw/zinc/10/12/25/644101225.db2.gz CWAKHLOEABGHHT-LLVKDONJSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CCCCO2)no1 ZINC000922817286 644106782 /nfs/dbraw/zinc/10/67/82/644106782.db2.gz SROUWQQWKZKYGY-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN CCC[C@@H](O)CCNCc1nc(C)cs1 ZINC000922822536 644111852 /nfs/dbraw/zinc/11/18/52/644111852.db2.gz RYVYEBSCXNIDSX-SNVBAGLBSA-N 0 1 228.361 2.092 20 0 BEADMN Cc1cnc(CN[C@H]2CCS[C@@H](C)C2)o1 ZINC000922834612 644112461 /nfs/dbraw/zinc/11/24/61/644112461.db2.gz VTFHYDILLVCPDL-UWVGGRQHSA-N 0 1 226.345 2.357 20 0 BEADMN CCc1ccc(C[N@@H+](CCC(=O)[O-])C2CC2)o1 ZINC000086736112 644173367 /nfs/dbraw/zinc/17/33/67/644173367.db2.gz OEXNKMZDLCOZCN-UHFFFAOYSA-N 0 1 237.299 2.281 20 0 BEADMN CC(=O)CCN1CCN(c2ccccc2C)CC1 ZINC000192871670 644191025 /nfs/dbraw/zinc/19/10/25/644191025.db2.gz DWSJAZYVPLMUBM-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN COCc1cc(CNC[C@]23C[C@H]2CCC3)no1 ZINC000922962934 644204031 /nfs/dbraw/zinc/20/40/31/644204031.db2.gz ODJFQZFMJPRMAX-MFKMUULPSA-N 0 1 236.315 2.101 20 0 BEADMN CC(C)C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000922976743 644211687 /nfs/dbraw/zinc/21/16/87/644211687.db2.gz PMOAKXXPXGKHAK-UHFFFAOYSA-N 0 1 229.270 2.459 20 0 BEADMN Cc1cc(F)c(CN[C@H]2C[C@H](CO)C2)c(F)c1 ZINC000923004209 644228283 /nfs/dbraw/zinc/22/82/83/644228283.db2.gz BNVJBIGPQKCWSI-MGCOHNPYSA-N 0 1 241.281 2.134 20 0 BEADMN Cc1nc(COC(=O)[C@@H]2CCC=CCCC2)n[nH]1 ZINC000923035965 644243871 /nfs/dbraw/zinc/24/38/71/644243871.db2.gz PYIYUCNYNKMAJF-LLVKDONJSA-N 0 1 249.314 2.293 20 0 BEADMN O[C@@H](CN1CCCCC1)c1ccc(F)cc1F ZINC000193507224 644248829 /nfs/dbraw/zinc/24/88/29/644248829.db2.gz PSDLNFBPSJLNJE-ZDUSSCGKSA-N 0 1 241.281 2.484 20 0 BEADMN O[C@H](CN1CCCCC1)c1ccc(F)cc1F ZINC000193507214 644249882 /nfs/dbraw/zinc/24/98/82/644249882.db2.gz PSDLNFBPSJLNJE-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN Cl/C=C/CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866843 644283637 /nfs/dbraw/zinc/28/36/37/644283637.db2.gz QYFWIZBSDKOTDU-JYBNPQIESA-N 0 1 225.723 2.342 20 0 BEADMN COC[C@@H](NC[C@@H]1CCC=CO1)c1ccco1 ZINC000194495663 644322471 /nfs/dbraw/zinc/32/24/71/644322471.db2.gz HGHSYFWJSULIIA-NWDGAFQWSA-N 0 1 237.299 2.249 20 0 BEADMN Cc1ccsc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000083412242 644403244 /nfs/dbraw/zinc/40/32/44/644403244.db2.gz LHKSEIFRFRITIQ-LBPRGKRZSA-N 0 1 239.340 2.353 20 0 BEADMN c1nc(-c2noc([C@@H]3CCCCN3)n2)cs1 ZINC000083336569 644403895 /nfs/dbraw/zinc/40/38/95/644403895.db2.gz GEMRISJANYZHRI-ZETCQYMHSA-N 0 1 236.300 2.008 20 0 BEADMN Cc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000085665082 644447022 /nfs/dbraw/zinc/44/70/22/644447022.db2.gz UJCHHMAEDFENQX-DCAQKATOSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000086013165 644457302 /nfs/dbraw/zinc/45/73/02/644457302.db2.gz AYQYZYCNWSVLCK-AOOOYVTPSA-N 0 1 213.321 2.075 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(C2CC2)cc1 ZINC000087013891 644464629 /nfs/dbraw/zinc/46/46/29/644464629.db2.gz MFDSTYJDJIRHQG-UHFFFAOYSA-N 0 1 219.284 2.080 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@H](CC)CC1=O ZINC000245885734 644550130 /nfs/dbraw/zinc/55/01/30/644550130.db2.gz XGMJQFRIYSOOQM-VXGBXAGGSA-N 0 1 226.364 2.180 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@H](C)CC ZINC000246792561 644605353 /nfs/dbraw/zinc/60/53/53/644605353.db2.gz PECLTHHNFWWSNA-ZJUUUORDSA-N 0 1 201.310 2.058 20 0 BEADMN C/C=C/C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754870597 644614504 /nfs/dbraw/zinc/61/45/04/644614504.db2.gz DRFXBVKKNFRRLA-SNAWJCMRSA-N 0 1 236.290 2.402 20 0 BEADMN C[C@@]1(O)CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000767018528 644672662 /nfs/dbraw/zinc/67/26/62/644672662.db2.gz MYBBEILPSMYYMM-RKDXNWHRSA-N 0 1 238.158 2.027 20 0 BEADMN CC(C)=C(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000769324934 644680740 /nfs/dbraw/zinc/68/07/40/644680740.db2.gz HPXKNAWDKRPSCM-SECBINFHSA-N 0 1 235.331 2.122 20 0 BEADMN CC(C)C[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000093338504 644689919 /nfs/dbraw/zinc/68/99/19/644689919.db2.gz OSNVIBYMAXWNAT-NSHDSACASA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)C[C@H]1COCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248882090 644704938 /nfs/dbraw/zinc/70/49/38/644704938.db2.gz KZBVOVRFRNEINR-UONOGXRCSA-N 0 1 239.359 2.426 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1C1CC1 ZINC000094529164 644718402 /nfs/dbraw/zinc/71/84/02/644718402.db2.gz JPHSWWTYFYJWGW-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN NCc1ccc(C(=O)N2CCCCCCC2)o1 ZINC000094564861 644719910 /nfs/dbraw/zinc/71/99/10/644719910.db2.gz WBYDGFMZUAMFRV-UHFFFAOYSA-N 0 1 236.315 2.145 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000780008790 644722387 /nfs/dbraw/zinc/72/23/87/644722387.db2.gz VYQLCBXQVRMDAK-ACOKQAKJSA-N 0 1 238.375 2.284 20 0 BEADMN CC(C)N(Cc1cccnc1Cl)C[C@H](C)O ZINC000303991376 644862214 /nfs/dbraw/zinc/86/22/14/644862214.db2.gz LTDURQYKNWUCGV-JTQLQIEISA-N 0 1 242.750 2.326 20 0 BEADMN CCCCN(C)CN1C(=O)CCC1(C)C ZINC000808136339 644873875 /nfs/dbraw/zinc/87/38/75/644873875.db2.gz BSTAFRIWXRZKFS-UHFFFAOYSA-N 0 1 212.337 2.077 20 0 BEADMN CCCCN(CN1CC(C)(C)CC1=O)C1CC1 ZINC000808139788 644875688 /nfs/dbraw/zinc/87/56/88/644875688.db2.gz OXASBGACKRNTHP-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN Cc1nonc1CN1CC[C@H](C2CCCC2)C1 ZINC000817282589 644970607 /nfs/dbraw/zinc/97/06/07/644970607.db2.gz HIPYKQFZKFMWGR-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN Fc1cc(CNCCc2ccco2)c(F)cn1 ZINC000823591003 645046643 /nfs/dbraw/zinc/04/66/43/645046643.db2.gz IYMJAGZXVGRNKI-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN COC[C@@H](NCc1cc(F)ncc1F)C(C)C ZINC000823882083 645051035 /nfs/dbraw/zinc/05/10/35/645051035.db2.gz IXRAVVPZFIYWOG-LLVKDONJSA-N 0 1 244.285 2.120 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000836948586 645182882 /nfs/dbraw/zinc/18/28/82/645182882.db2.gz RTTJUMTVFXQHMW-YQCJOKCJSA-N 0 1 238.375 2.285 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(CC)C[C@H]1CC ZINC000836947710 645182889 /nfs/dbraw/zinc/18/28/89/645182889.db2.gz KXTWYGPYIQCKJU-YQJFHSMKSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)C=C1CCC1 ZINC000836947683 645183164 /nfs/dbraw/zinc/18/31/64/645183164.db2.gz KVJFKDKJPIWFTM-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)C=C1CCC1 ZINC000836947681 645183458 /nfs/dbraw/zinc/18/34/58/645183458.db2.gz KVJFKDKJPIWFTM-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@H](C)c1nonc1C ZINC000926519163 645248696 /nfs/dbraw/zinc/24/86/96/645248696.db2.gz DMMJXFXFUPMJOF-QNSHHTMESA-N 0 1 209.293 2.075 20 0 BEADMN CC[C@](C)(CN[C@@H](C)c1cc(OC)no1)OC ZINC000926517609 645249620 /nfs/dbraw/zinc/24/96/20/645249620.db2.gz CPNYNJYVJSGOJH-JOYOIKCWSA-N 0 1 242.319 2.149 20 0 BEADMN C[C@H](NCC(C)(C)C(C)(C)O)c1ncco1 ZINC000926547679 645261876 /nfs/dbraw/zinc/26/18/76/645261876.db2.gz NCNAPONIIYJHFS-VIFPVBQESA-N 0 1 226.320 2.122 20 0 BEADMN CC(=O)c1ccc(-c2nc([C@H](N)C(C)C)no2)o1 ZINC000843152995 645269254 /nfs/dbraw/zinc/26/92/54/645269254.db2.gz KEGHCYVXMUHHOE-SNVBAGLBSA-N 0 1 249.270 2.188 20 0 BEADMN CC[C@@H]1CC[C@H](c2nc([C@@H](N)C(C)C)no2)O1 ZINC000843153858 645269940 /nfs/dbraw/zinc/26/99/40/645269940.db2.gz WJPGMNOCOUKJFK-BBBLOLIVSA-N 0 1 239.319 2.356 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@H]1C1CC1 ZINC000926549400 645271158 /nfs/dbraw/zinc/27/11/58/645271158.db2.gz HMRVDSOLOHUQNO-SWPVVBRQSA-N 0 1 221.304 2.075 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@H]1C[C@@H](C)n2ncnc21 ZINC000926568056 645287695 /nfs/dbraw/zinc/28/76/95/645287695.db2.gz KDJHOYZSXBAUQU-KKOKHZNYSA-N 0 1 234.347 2.308 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)C1(Cl)CC1 ZINC000926578653 645297982 /nfs/dbraw/zinc/29/79/82/645297982.db2.gz ZAUPVEXZFCMOQC-DTWKUNHWSA-N 0 1 227.739 2.231 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccnnc2)cc(C)n1 ZINC000926601043 645309627 /nfs/dbraw/zinc/30/96/27/645309627.db2.gz LCWNOMUXYOOSLH-LBPRGKRZSA-N 0 1 242.326 2.339 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000926613235 645314040 /nfs/dbraw/zinc/31/40/40/645314040.db2.gz BYNORQDNSKZFEE-CABNGKKXSA-N 0 1 235.302 2.248 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2C2CCC2)c2ncnn21 ZINC000926615042 645317259 /nfs/dbraw/zinc/31/72/59/645317259.db2.gz MOQDWJCZAPRILP-SASUGWTJSA-N 0 1 232.331 2.062 20 0 BEADMN CCC[C@H](C)[C@H](CO)N[C@H](C)c1ncco1 ZINC000926645139 645331810 /nfs/dbraw/zinc/33/18/10/645331810.db2.gz SAXSNQCRBYZATQ-AXFHLTTASA-N 0 1 226.320 2.122 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)C(C)(C)C ZINC000926657914 645338759 /nfs/dbraw/zinc/33/87/59/645338759.db2.gz LDHXIMFPSVWARN-IONNQARKSA-N 0 1 211.309 2.463 20 0 BEADMN C[C@H](Cc1ccccn1)N[C@@H](C)c1ncco1 ZINC000926669280 645346497 /nfs/dbraw/zinc/34/64/97/645346497.db2.gz PNWOGRVGYMPOEI-MNOVXSKESA-N 0 1 231.299 2.351 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCC(C)(C)F)n1 ZINC000926699007 645365267 /nfs/dbraw/zinc/36/52/67/645365267.db2.gz KMCTUTOAKPHWTL-VIFPVBQESA-N 0 1 242.342 2.395 20 0 BEADMN C[C@@H](NCCCC1CCC1)c1cc(CO)on1 ZINC000926706712 645373007 /nfs/dbraw/zinc/37/30/07/645373007.db2.gz WTQGMLXTXNVZHW-SNVBAGLBSA-N 0 1 238.331 2.398 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@]1(C)CC1(F)F ZINC000926707060 645373174 /nfs/dbraw/zinc/37/31/74/645373174.db2.gz ZUKORPDPOWXRHB-MUWHJKNJSA-N 0 1 231.246 2.074 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC(=O)[O-])o1 ZINC000105980649 645373774 /nfs/dbraw/zinc/37/37/74/645373774.db2.gz WXLMZTSIVTYDDH-KOLCDFICSA-N 0 1 237.299 2.310 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccns1 ZINC000926759164 645408538 /nfs/dbraw/zinc/40/85/38/645408538.db2.gz RXYTXVLIGDVVLW-GDPRMGEGSA-N 0 1 226.345 2.361 20 0 BEADMN C/C=C\CN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926769735 645416622 /nfs/dbraw/zinc/41/66/22/645416622.db2.gz KBEIYPPFPHQRIU-BYCRGOAPSA-N 0 1 219.332 2.446 20 0 BEADMN C[C@H](N[C@@H]1CCCC12CC2)c1cc(CO)on1 ZINC000926778919 645422688 /nfs/dbraw/zinc/42/26/88/645422688.db2.gz SYDRAMAVFPLUPS-JOYOIKCWSA-N 0 1 236.315 2.150 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1CCCC12CC2 ZINC000926778904 645424123 /nfs/dbraw/zinc/42/41/23/645424123.db2.gz SWZSQVOYQSNCHC-PSASIEDQSA-N 0 1 221.304 2.361 20 0 BEADMN COc1cc([C@@H](C)N[C@H]2C[C@H](SC)C2)on1 ZINC000926790924 645435230 /nfs/dbraw/zinc/43/52/30/645435230.db2.gz NTAWHVJAJFWXTE-IWSPIJDZSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@@H](NCCCCC1CC1)c1cc(CO)on1 ZINC000926802391 645439774 /nfs/dbraw/zinc/43/97/74/645439774.db2.gz UVPKADQOYVUJLK-SNVBAGLBSA-N 0 1 238.331 2.398 20 0 BEADMN COCC(C)(C)CCN[C@H](C)c1nonc1C ZINC000926822153 645443646 /nfs/dbraw/zinc/44/36/46/645443646.db2.gz LGARNZXAQAXFMJ-SECBINFHSA-N 0 1 241.335 2.091 20 0 BEADMN C[C@@H]1C[C@@H](NCC2(CC3CC3)CC2)c2ncnn21 ZINC000926841078 645450956 /nfs/dbraw/zinc/45/09/56/645450956.db2.gz JKWCBELIFHRSLT-ZYHUDNBSSA-N 0 1 246.358 2.454 20 0 BEADMN C=C/C=C/CCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926844400 645455289 /nfs/dbraw/zinc/45/52/89/645455289.db2.gz KUJOIRWKCMSEGD-XKFHPXPTSA-N 0 1 218.304 2.006 20 0 BEADMN C=C/C=C/CCN[C@@H](C)c1nn(CC)nc1C ZINC000926843732 645455350 /nfs/dbraw/zinc/45/53/50/645455350.db2.gz JCABERWVLXYQFD-AEZGRPFRSA-N 0 1 234.347 2.389 20 0 BEADMN CC[C@@H](C)[C@@H](C)NCc1nnc(OC)s1 ZINC000930225401 645456213 /nfs/dbraw/zinc/45/62/13/645456213.db2.gz BHTWSXGVUPJPIQ-HTQZYQBOSA-N 0 1 229.349 2.071 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000926868644 645466770 /nfs/dbraw/zinc/46/67/70/645466770.db2.gz LEWCRIGMFANRRN-ARACIDTASA-N 0 1 235.331 2.321 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000926891609 645476303 /nfs/dbraw/zinc/47/63/03/645476303.db2.gz CPPHMEFZEIVNPW-WCQGTBRESA-N 0 1 249.358 2.043 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ncco1 ZINC000926889745 645478083 /nfs/dbraw/zinc/47/80/83/645478083.db2.gz YPPZXCBFRMMYOK-MVCUBJFGSA-N 0 1 206.289 2.370 20 0 BEADMN CCC[C@H](O)CCN[C@H](C)c1nccn1CC ZINC000927018762 645516762 /nfs/dbraw/zinc/51/67/62/645516762.db2.gz BLJDQJCESKMQFA-NEPJUHHUSA-N 0 1 239.363 2.105 20 0 BEADMN CCC[C@@H](O)CCN[C@@H](C)c1nccs1 ZINC000927019811 645517790 /nfs/dbraw/zinc/51/77/90/645517790.db2.gz UPVKLAOWITXEQE-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@H](O)CCN[C@H](C)c1nccs1 ZINC000927019812 645518370 /nfs/dbraw/zinc/51/83/70/645518370.db2.gz UPVKLAOWITXEQE-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@H](O)CCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000927020417 645521719 /nfs/dbraw/zinc/52/17/19/645521719.db2.gz JOYATYDBKXXLBP-WOPDTQHZSA-N 0 1 237.347 2.030 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCS[C@H](C)C1 ZINC000927030650 645527793 /nfs/dbraw/zinc/52/77/93/645527793.db2.gz SXTSHSOUWVKPBJ-KHQFGBGNSA-N 0 1 241.360 2.313 20 0 BEADMN Cc1cc(F)c(CN[C@H]2COC[C@H]2C)c(F)c1 ZINC000927093004 645546622 /nfs/dbraw/zinc/54/66/22/645546622.db2.gz MNEGUSNTXGSADT-RNCFNFMXSA-N 0 1 241.281 2.398 20 0 BEADMN COC[C@@H](CN[C@@H](C)c1ncco1)C(C)C ZINC000927097319 645548864 /nfs/dbraw/zinc/54/88/64/645548864.db2.gz ULLGXQPFIDNOTQ-WDEREUQCSA-N 0 1 226.320 2.244 20 0 BEADMN COc1ccccc1C(C)(C)NCc1cnc[nH]1 ZINC000115307089 645610637 /nfs/dbraw/zinc/61/06/37/645610637.db2.gz WKTYVKDZMCJASA-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1[C@H](C)C[C@@H]1C ZINC000930273496 645719126 /nfs/dbraw/zinc/71/91/26/645719126.db2.gz PRSIBXCRNQJYFG-UKKRHICBSA-N 0 1 213.321 2.057 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928426719 645740835 /nfs/dbraw/zinc/74/08/35/645740835.db2.gz GSRAFXCBPUIAFQ-GVXVVHGQSA-N 0 1 244.354 2.114 20 0 BEADMN CC(C)CC1(C(=O)NC[C@@H]2CCN2C)CCC1 ZINC000928558977 645817232 /nfs/dbraw/zinc/81/72/32/645817232.db2.gz GTFODVZEWZQTQZ-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@@H](CC)CC(=O)NC[C@@H]1CCN1C ZINC000928563998 645823773 /nfs/dbraw/zinc/82/37/73/645823773.db2.gz SMKHVYCKSHUUQR-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCN1C ZINC000928566854 645826276 /nfs/dbraw/zinc/82/62/76/645826276.db2.gz RWAHVOJATKFPRO-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](NCC[C@@H]1CCCCO1)c1ncco1 ZINC000886538084 645887541 /nfs/dbraw/zinc/88/75/41/645887541.db2.gz BGJOIDAQJDCLHI-QWRGUYRKSA-N 0 1 224.304 2.284 20 0 BEADMN C[C@@H](NCCF)c1cnn(-c2ccccc2)c1 ZINC000302241687 645903904 /nfs/dbraw/zinc/90/39/04/645903904.db2.gz FEVLADPZJCNKDS-LLVKDONJSA-N 0 1 233.290 2.492 20 0 BEADMN CCCCC1(C(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000929076646 645934350 /nfs/dbraw/zinc/93/43/50/645934350.db2.gz FAQJHONDVACCOW-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@]2(C1)CCCOC2 ZINC000930377359 645940529 /nfs/dbraw/zinc/94/05/29/645940529.db2.gz SGWQHHLVSHGZQR-TZMCWYRMSA-N 0 1 247.342 2.040 20 0 BEADMN COC(=O)/C=C(\C)CN(C)Cc1cccs1 ZINC000929207760 646005943 /nfs/dbraw/zinc/00/59/43/646005943.db2.gz OLDJZGJLFZMRGM-JXMROGBWSA-N 0 1 239.340 2.299 20 0 BEADMN Cc1ccc(CN(C)CCOC2CC2)o1 ZINC000929213231 646010134 /nfs/dbraw/zinc/01/01/34/646010134.db2.gz DHQFZSGDXORXNV-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN C[C@H](c1ncccn1)N1CCC(C)CC1 ZINC000929216095 646014949 /nfs/dbraw/zinc/01/49/49/646014949.db2.gz YCUDGYVQEHATMM-LLVKDONJSA-N 0 1 205.305 2.270 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000924413057 646030765 /nfs/dbraw/zinc/03/07/65/646030765.db2.gz PWVMPBZDLUZRBA-TVQRCGJNSA-N 0 1 249.314 2.328 20 0 BEADMN C[C@@H](c1ncccn1)N1C2CCC1CC2 ZINC000929248606 646031153 /nfs/dbraw/zinc/03/11/53/646031153.db2.gz ZVQMHLMIINKVCP-WHXUTIOJSA-N 0 1 203.289 2.164 20 0 BEADMN CCCCCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000924538728 646057009 /nfs/dbraw/zinc/05/70/09/646057009.db2.gz MDOHDOZNOKBIMR-WDEREUQCSA-N 0 1 222.336 2.454 20 0 BEADMN Cc1ncc(CN(C)CCOC2CC2)s1 ZINC000929284616 646059825 /nfs/dbraw/zinc/05/98/25/646059825.db2.gz FAHLJWNWLQKWOB-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CCC1CCN(Cc2[nH]nc3c2COCC3)CC1 ZINC000929298017 646071675 /nfs/dbraw/zinc/07/16/75/646071675.db2.gz NFGHAVCCXUPCGY-UHFFFAOYSA-N 0 1 249.358 2.104 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCC(C)C ZINC000924604377 646075432 /nfs/dbraw/zinc/07/54/32/646075432.db2.gz SDYNCICFPOMZOG-SECBINFHSA-N 0 1 211.309 2.465 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1nncs1 ZINC000929348269 646089407 /nfs/dbraw/zinc/08/94/07/646089407.db2.gz OYDJCHSBEAEZPD-SECBINFHSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CN(CCc2ccns2)CC(C)(C)O1 ZINC000929347457 646090877 /nfs/dbraw/zinc/09/08/77/646090877.db2.gz GYYRMUQHIUMEHS-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN C[C@@H](c1ccco1)N(C)CCOC1CC1 ZINC000929371520 646102283 /nfs/dbraw/zinc/10/22/83/646102283.db2.gz ZMOSVNDDOHQXGV-JTQLQIEISA-N 0 1 209.289 2.451 20 0 BEADMN c1nnc(CN2CCC[C@H]2C2CCC2)s1 ZINC000929504553 646157009 /nfs/dbraw/zinc/15/70/09/646157009.db2.gz QHCLIYBEXWJIBG-JTQLQIEISA-N 0 1 223.345 2.303 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CCS[C@H](C)C1 ZINC000929517262 646166790 /nfs/dbraw/zinc/16/67/90/646166790.db2.gz GXWZZDSHIBGJRL-HBNTYKKESA-N 0 1 245.388 2.011 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CCS[C@H](C)C1 ZINC000929517262 646166792 /nfs/dbraw/zinc/16/67/92/646166792.db2.gz GXWZZDSHIBGJRL-HBNTYKKESA-N 0 1 245.388 2.011 20 0 BEADMN CCc1onc(C)c1C[N@H+]1CCS[C@H](C)C1 ZINC000929518588 646167482 /nfs/dbraw/zinc/16/74/82/646167482.db2.gz PRAKWIJVLVRACM-SECBINFHSA-N 0 1 240.372 2.483 20 0 BEADMN CCc1onc(C)c1CN1CCS[C@H](C)C1 ZINC000929518588 646167488 /nfs/dbraw/zinc/16/74/88/646167488.db2.gz PRAKWIJVLVRACM-SECBINFHSA-N 0 1 240.372 2.483 20 0 BEADMN CCSc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000929519620 646167802 /nfs/dbraw/zinc/16/78/02/646167802.db2.gz AUVBQIZQJSADQO-LBPRGKRZSA-N 0 1 237.368 2.365 20 0 BEADMN CCCC[C@@H](COC)N[C@@H](C)c1cn(C)cn1 ZINC000925096795 646181558 /nfs/dbraw/zinc/18/15/58/646181558.db2.gz PRLDTBWBYLKDBR-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN CCc1ncc(CN(CCO)CC(C)(C)C)o1 ZINC000929598888 646190547 /nfs/dbraw/zinc/19/05/47/646190547.db2.gz FECZWHVYZJEWJU-UHFFFAOYSA-N 0 1 240.347 2.077 20 0 BEADMN CSC(C)(C)CN[C@@H](C)c1nonc1C ZINC000925190505 646204268 /nfs/dbraw/zinc/20/42/68/646204268.db2.gz JVRMAJHRSQSAEZ-ZETCQYMHSA-N 0 1 229.349 2.170 20 0 BEADMN COC(C)(C)C[C@@H](C)N[C@@H](C)c1nonc1C ZINC000925153357 646192229 /nfs/dbraw/zinc/19/22/29/646192229.db2.gz XRFOFOMZJILRGZ-BDAKNGLRSA-N 0 1 241.335 2.232 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)c2ccnnc2)s1 ZINC000925149406 646194375 /nfs/dbraw/zinc/19/43/75/646194375.db2.gz RTMFOKFNHOWBCQ-MRVPVSSYSA-N 0 1 248.355 2.401 20 0 BEADMN COC/C(C)=C/CN(C)Cc1scnc1C ZINC000929609680 646197285 /nfs/dbraw/zinc/19/72/85/646197285.db2.gz KKXXLXLXWJVXEU-BJMVGYQFSA-N 0 1 240.372 2.476 20 0 BEADMN CC[C@@H](C)CN(C)Cc1noc2c1COCC2 ZINC000929618762 646203228 /nfs/dbraw/zinc/20/32/28/646203228.db2.gz IKIOURFJCLRILF-SNVBAGLBSA-N 0 1 238.331 2.225 20 0 BEADMN C[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1ncco1 ZINC000925211952 646209170 /nfs/dbraw/zinc/20/91/70/646209170.db2.gz CVJHAKJETRSXBO-GVXVVHGQSA-N 0 1 238.331 2.266 20 0 BEADMN CCOC[C@@H]1CCCN([C@H](C)c2ncccn2)C1 ZINC000929643685 646216141 /nfs/dbraw/zinc/21/61/41/646216141.db2.gz IMLLVXGUCOKZLF-CHWSQXEVSA-N 0 1 249.358 2.286 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@]1(C)CCCS1 ZINC000925267399 646225196 /nfs/dbraw/zinc/22/51/96/646225196.db2.gz HQQFZSSYRHBVFS-KWQFWETISA-N 0 1 241.360 2.314 20 0 BEADMN CC[C@@H](CO)N1CCO[C@H](c2ccccc2C)C1 ZINC000929706971 646262739 /nfs/dbraw/zinc/26/27/39/646262739.db2.gz DHCUEFNERRZHOC-ZFWWWQNUSA-N 0 1 249.354 2.139 20 0 BEADMN CCC[C@H](C)NC(=O)c1cccc(F)c1O ZINC000929717629 646268300 /nfs/dbraw/zinc/26/83/00/646268300.db2.gz JMOMISRHBATLJD-QMMMGPOBSA-N 0 1 225.263 2.450 20 0 BEADMN C[C@H]1C[C@@H](NCCCC2CC2)c2ncnn21 ZINC000925435227 646281669 /nfs/dbraw/zinc/28/16/69/646281669.db2.gz PAXBCCVXDKZBIY-GXSJLCMTSA-N 0 1 220.320 2.064 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCC1CC1 ZINC000925435170 646282469 /nfs/dbraw/zinc/28/24/69/646282469.db2.gz NYTJOECBWSCDLZ-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CC(C)n1cc([C@H](C)N[C@H]2CCSC2)nn1 ZINC000925482526 646295187 /nfs/dbraw/zinc/29/51/87/646295187.db2.gz VRLISBAQMRSFOR-UWVGGRQHSA-N 0 1 240.376 2.015 20 0 BEADMN CC(C)n1cc([C@@H](C)N[C@H]2CCSC2)nn1 ZINC000925482528 646295533 /nfs/dbraw/zinc/29/55/33/646295533.db2.gz VRLISBAQMRSFOR-ZJUUUORDSA-N 0 1 240.376 2.015 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@H](C)c1cc(CO)on1 ZINC000925487447 646296934 /nfs/dbraw/zinc/29/69/34/646296934.db2.gz YOZFONCTQIJGLY-KBVBSXBZSA-N 0 1 224.304 2.006 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nncs1 ZINC000929764608 646298588 /nfs/dbraw/zinc/29/85/88/646298588.db2.gz XMNCWCRUFHJVNQ-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H](NCCC1CCC1)c1cc(CO)on1 ZINC000925521185 646315828 /nfs/dbraw/zinc/31/58/28/646315828.db2.gz ZEDOFDRCDOJEJX-SECBINFHSA-N 0 1 224.304 2.008 20 0 BEADMN CCN(C/C=C(\C)COC)Cc1ccccn1 ZINC000929825878 646327202 /nfs/dbraw/zinc/32/72/02/646327202.db2.gz RNKCXYGQKQIHQC-MDWZMJQESA-N 0 1 234.343 2.496 20 0 BEADMN CCN(C/C(C)=C/C(=O)OC)Cc1ccccn1 ZINC000929826940 646342223 /nfs/dbraw/zinc/34/22/23/646342223.db2.gz ZUSCWTGQSDSUKN-FMIVXFBMSA-N 0 1 248.326 2.023 20 0 BEADMN COC(C)(C)CN(C)[C@@H](C)c1snnc1C ZINC000929831809 646349061 /nfs/dbraw/zinc/34/90/61/646349061.db2.gz QKTQFCBVCUWKHV-VIFPVBQESA-N 0 1 243.376 2.264 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC[C@@H](C)SC)n1 ZINC000925602815 646354424 /nfs/dbraw/zinc/35/44/24/646354424.db2.gz WREWMMBSJLTEDA-RKDXNWHRSA-N 0 1 242.392 2.009 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCCc1cccnc1 ZINC000929845108 646355991 /nfs/dbraw/zinc/35/59/91/646355991.db2.gz VRXJURRRIUMPPX-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC000929916311 646374349 /nfs/dbraw/zinc/37/43/49/646374349.db2.gz RWDNZBFQHZIYQI-HFHAKLMTSA-N 0 1 247.342 2.017 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ncco2)n[nH]1 ZINC000925658257 646394645 /nfs/dbraw/zinc/39/46/45/646394645.db2.gz HUDKCEOWAOXBDB-IUCAKERBSA-N 0 1 249.318 2.328 20 0 BEADMN Cn1cnc(CN[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000925675781 646404726 /nfs/dbraw/zinc/40/47/26/646404726.db2.gz WTCTWXIRSPAKEP-MNOVXSKESA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)C(C(C)C)[C@@H](C)NCc1ncn(C)n1 ZINC000925674684 646405243 /nfs/dbraw/zinc/40/52/43/646405243.db2.gz RYRJXFBESAWMIV-LLVKDONJSA-N 0 1 238.379 2.221 20 0 BEADMN C[C@H](NCCc1ccc(CO)cc1)c1ncco1 ZINC000925701092 646425854 /nfs/dbraw/zinc/42/58/54/646425854.db2.gz VRPGJPIJOLGUJR-NSHDSACASA-N 0 1 246.310 2.060 20 0 BEADMN Cc1cc(CN2CC=C(C)CC2)c(C)nn1 ZINC000930094730 646431137 /nfs/dbraw/zinc/43/11/37/646431137.db2.gz MJCHCRJOTKRTMS-UHFFFAOYSA-N 0 1 217.316 2.245 20 0 BEADMN Cc1nc(C)c(CN2CC=C(C)CC2)[nH]1 ZINC000930093257 646431620 /nfs/dbraw/zinc/43/16/20/646431620.db2.gz BNBADBHPLKFURI-UHFFFAOYSA-N 0 1 205.305 2.179 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N1CCCSCC1 ZINC000930119996 646442340 /nfs/dbraw/zinc/44/23/40/646442340.db2.gz UGWUXRHJMYSTEO-GHMZBOCLSA-N 0 1 245.388 2.013 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CC[C@H](C(F)F)C1 ZINC000930128651 646452061 /nfs/dbraw/zinc/45/20/61/646452061.db2.gz WSHBKVKOYHGTDX-LPEHRKFASA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H](N[C@@H](C)C1(C)CC1)c1cc(CO)on1 ZINC000925775275 646475189 /nfs/dbraw/zinc/47/51/89/646475189.db2.gz FHBIYQFURZHPDX-BDAKNGLRSA-N 0 1 224.304 2.006 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@]1(C)C=CCC1 ZINC000930186473 646481823 /nfs/dbraw/zinc/48/18/23/646481823.db2.gz AHFFLHIBVCUHHI-AWEZNQCLSA-N 0 1 247.342 2.123 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C1(C)CC=CC1 ZINC000930186531 646481933 /nfs/dbraw/zinc/48/19/33/646481933.db2.gz BEBKWKAHYNANCI-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN CCCc1ccc([C@@H](C)N[C@H]2CNOC2)cc1 ZINC000925869542 646519457 /nfs/dbraw/zinc/51/94/57/646519457.db2.gz GSATYONXMYDPHA-RISCZKNCSA-N 0 1 234.343 2.193 20 0 BEADMN CCC[C@H](N[C@H]1CNOC1)c1ccsc1 ZINC000925868592 646520246 /nfs/dbraw/zinc/52/02/46/646520246.db2.gz DTFBNJGQXLVSLH-QWRGUYRKSA-N 0 1 226.345 2.082 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1ccc2ccccc2c1 ZINC000925872792 646524668 /nfs/dbraw/zinc/52/46/68/646524668.db2.gz ISFRKTRRQHHPKE-ABAIWWIYSA-N 0 1 242.322 2.394 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H]1CCCCS1 ZINC000926130747 646578009 /nfs/dbraw/zinc/57/80/09/646578009.db2.gz RXWUEGPPXVAJQU-WCBMZHEXSA-N 0 1 241.360 2.314 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCCOC(C)C ZINC000926129496 646580379 /nfs/dbraw/zinc/58/03/79/646580379.db2.gz FHCJNFPAOJQBCN-SNVBAGLBSA-N 0 1 241.335 2.234 20 0 BEADMN Cc1nonc1[C@H](C)NC1Cc2ccccc2C1 ZINC000926173156 646589118 /nfs/dbraw/zinc/58/91/18/646589118.db2.gz SECJMTDBSLXIPX-VIFPVBQESA-N 0 1 243.310 2.196 20 0 BEADMN COc1cc([C@H](C)NC[C@@H]2CCC=CO2)on1 ZINC000926232391 646602000 /nfs/dbraw/zinc/60/20/00/646602000.db2.gz SSLRIMDDLGXQAU-UWVGGRQHSA-N 0 1 238.287 2.027 20 0 BEADMN CCOC[C@H](N[C@@H](C)c1nonc1C)C(C)C ZINC000926260474 646607070 /nfs/dbraw/zinc/60/70/70/646607070.db2.gz SUSNKVJJSOYBRG-ONGXEEELSA-N 0 1 241.335 2.090 20 0 BEADMN CC(C)=CCCN[C@@H](C)c1cc(CO)on1 ZINC000926267121 646608636 /nfs/dbraw/zinc/60/86/36/646608636.db2.gz WPSFTSSQZQQQOX-JTQLQIEISA-N 0 1 224.304 2.174 20 0 BEADMN C[C@H](N[C@@H]1CC12CCCC2)c1cc(CO)on1 ZINC000926281159 646609973 /nfs/dbraw/zinc/60/99/73/646609973.db2.gz NDCPYIGNWXTYJV-JOYOIKCWSA-N 0 1 236.315 2.150 20 0 BEADMN COc1ccnc([C@H](C)NCC2=CCCOC2)c1 ZINC000926432195 646638287 /nfs/dbraw/zinc/63/82/87/646638287.db2.gz SIKFTWDQWXSZCX-NSHDSACASA-N 0 1 248.326 2.088 20 0 BEADMN COc1ccnc([C@@H](C)NCC2=CCCOC2)c1 ZINC000926432194 646638787 /nfs/dbraw/zinc/63/87/87/646638787.db2.gz SIKFTWDQWXSZCX-LLVKDONJSA-N 0 1 248.326 2.088 20 0 BEADMN CCOCC(C)(C)CN[C@@H](C)c1nonc1C ZINC000926438980 646640190 /nfs/dbraw/zinc/64/01/90/646640190.db2.gz SQAZUPPBZASJPP-VIFPVBQESA-N 0 1 241.335 2.091 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2COC[C@@H]2C)o1 ZINC000926477326 646654504 /nfs/dbraw/zinc/65/45/04/646654504.db2.gz UPVISVSJBXRFHD-ONGXEEELSA-N 0 1 238.331 2.060 20 0 BEADMN CC(C)C1(N[C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926488114 646659440 /nfs/dbraw/zinc/65/94/40/646659440.db2.gz UBTXGJWPVWURQJ-NXEZZACHSA-N 0 1 220.320 2.062 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC2(C(C)C)CC2)n1 ZINC000926487976 646659771 /nfs/dbraw/zinc/65/97/71/646659771.db2.gz QKNLIRCUUUQLJA-SNVBAGLBSA-N 0 1 236.363 2.446 20 0 BEADMN CC(C)C1(N[C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926488117 646659806 /nfs/dbraw/zinc/65/98/06/646659806.db2.gz UBTXGJWPVWURQJ-ZJUUUORDSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1c(F)cc(F)cc1F ZINC000926490793 646660633 /nfs/dbraw/zinc/66/06/33/646660633.db2.gz YTDNILGDVMRFPC-JMCQJSRRSA-N 0 1 245.244 2.228 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NCC1=CCOCC1 ZINC000926502237 646663452 /nfs/dbraw/zinc/66/34/52/646663452.db2.gz DLWIMVVVAZVFOP-LBPRGKRZSA-N 0 1 248.326 2.297 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NCC1=CCOCC1 ZINC000926502236 646664373 /nfs/dbraw/zinc/66/43/73/646664373.db2.gz DLWIMVVVAZVFOP-GFCCVEGCSA-N 0 1 248.326 2.297 20 0 BEADMN CC(C)(C)c1coc(CNCC2CC2)n1 ZINC000724438483 711580293 /nfs/dbraw/zinc/58/02/93/711580293.db2.gz OZBVOLCEEHKVCE-UHFFFAOYSA-N 0 1 208.305 2.472 20 0 BEADMN OC1CC2(C[C@H]2NCc2ccsc2Cl)C1 ZINC000725000021 711642415 /nfs/dbraw/zinc/64/24/15/711642415.db2.gz ISMDLXXYVAIZJG-INWMGODYSA-N 0 1 243.759 2.405 20 0 BEADMN CCc1nnc(CNC[C@@H]2CCCS2)s1 ZINC000702676691 711871014 /nfs/dbraw/zinc/87/10/14/711871014.db2.gz JBKGCZUYVMDCAD-QMMMGPOBSA-N 0 1 243.401 2.086 20 0 BEADMN Cc1nnc(CNCC[C@@H]2CCSC2)s1 ZINC000704822493 712118500 /nfs/dbraw/zinc/11/85/00/712118500.db2.gz LBZPGLALRUQQHP-SECBINFHSA-N 0 1 243.401 2.079 20 0 BEADMN C[C@H]1N(CCC(=O)C(C)(C)C)CCOC1(C)C ZINC000708292540 712185793 /nfs/dbraw/zinc/18/57/93/712185793.db2.gz ZTLHJMGLLKIHCZ-LLVKDONJSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)[N@@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711392060 712297226 /nfs/dbraw/zinc/29/72/26/712297226.db2.gz GTNRSEYSCVMNQD-UHFFFAOYSA-N 0 1 213.302 2.287 20 0 BEADMN CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](CF)C1 ZINC000711453849 712303979 /nfs/dbraw/zinc/30/39/79/712303979.db2.gz KTCJURMHGWXKNY-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CCC[C@H](CF)C1 ZINC000711453849 712303981 /nfs/dbraw/zinc/30/39/81/712303981.db2.gz KTCJURMHGWXKNY-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)s1 ZINC000711488740 712306174 /nfs/dbraw/zinc/30/61/74/712306174.db2.gz FUZWVGQOQYCJHB-MRVPVSSYSA-N 0 1 243.303 2.238 20 0 BEADMN C[C@@H](CF)NCc1ccc(Cl)nc1 ZINC000379385402 712381010 /nfs/dbraw/zinc/38/10/10/712381010.db2.gz STJIWOUWJAIWPI-ZETCQYMHSA-N 0 1 202.660 2.183 20 0 BEADMN CC/C=C/CNCc1cnn(C)c1Cl ZINC000712429163 712429625 /nfs/dbraw/zinc/42/96/25/712429625.db2.gz FOAJPRSQIVSMCZ-SNAWJCMRSA-N 0 1 213.712 2.129 20 0 BEADMN CN1CC[C@H]1CNc1cc(C(F)(F)F)ccn1 ZINC000712619655 712438445 /nfs/dbraw/zinc/43/84/45/712438445.db2.gz YSRQVKHCBLWDIN-VIFPVBQESA-N 0 1 245.248 2.216 20 0 BEADMN Cc1ncc(CNC[C@H]2CCC(C)(C)CO2)o1 ZINC000713621993 712467711 /nfs/dbraw/zinc/46/77/11/712467711.db2.gz NAFPWFSQBVGASG-LLVKDONJSA-N 0 1 238.331 2.278 20 0 BEADMN C=C/C=C/CC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000713711139 712469960 /nfs/dbraw/zinc/46/99/60/712469960.db2.gz PCOFIWYCYXXFPD-RUULKOMLSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000713716078 712469985 /nfs/dbraw/zinc/46/99/85/712469985.db2.gz HLYKILUEWAJAAQ-XLMCQVRKSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C\CC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000713711137 712470012 /nfs/dbraw/zinc/47/00/12/712470012.db2.gz PCOFIWYCYXXFPD-DFPOMNKCSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000713710827 712470083 /nfs/dbraw/zinc/47/00/83/712470083.db2.gz JVSOLQUGJUOSRQ-XMXMHJJKSA-N 0 1 223.316 2.304 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H]1CCCC(C)(C)O1 ZINC000714336211 712482888 /nfs/dbraw/zinc/48/28/88/712482888.db2.gz BNRSTPIAPOHVIQ-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@H](C)C(=O)[O-] ZINC000714371661 712484781 /nfs/dbraw/zinc/48/47/81/712484781.db2.gz JLFVTQXAHBIBMZ-MNOVXSKESA-N 0 1 243.347 2.129 20 0 BEADMN COC(=O)c1csc(CN(C)CCCF)c1 ZINC000714926611 712500704 /nfs/dbraw/zinc/50/07/04/712500704.db2.gz VPMCQBWWAOZHAL-UHFFFAOYSA-N 0 1 245.319 2.326 20 0 BEADMN Clc1cccc(CNCC2OCCCO2)c1 ZINC000716403717 712558798 /nfs/dbraw/zinc/55/87/98/712558798.db2.gz AUXJJOAMQCMRIR-UHFFFAOYSA-N 0 1 241.718 2.193 20 0 BEADMN CCN(CCF)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854466 712586995 /nfs/dbraw/zinc/58/69/95/712586995.db2.gz XVTDOTDLISIFCD-WCQYABFASA-N 0 1 225.307 2.400 20 0 BEADMN CC[C@@H](C[C@@H](C)O)NCc1ncc(Cl)s1 ZINC000716956096 712599708 /nfs/dbraw/zinc/59/97/08/712599708.db2.gz SAQAMQDIMNHQRG-SFYZADRCSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccsc1 ZINC000037474686 712647849 /nfs/dbraw/zinc/64/78/49/712647849.db2.gz CTROUDYTHJFPDK-VIFPVBQESA-N 0 1 227.329 2.433 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H](C(F)(F)F)C1)C(F)F ZINC000389898546 712691066 /nfs/dbraw/zinc/69/10/66/712691066.db2.gz AJYHZWGXBLUXAI-ACZMJKKPSA-N 0 1 247.207 2.340 20 0 BEADMN Cc1nonc1[C@H](C)NCC1(C)CCC1 ZINC000925498511 712699377 /nfs/dbraw/zinc/69/93/77/712699377.db2.gz PYNJFEIPPYQKDM-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1nonc1CN[C@H](C)CCC1CC1 ZINC000380149275 712699965 /nfs/dbraw/zinc/69/99/65/712699965.db2.gz XJAPRNNOHNADRD-MRVPVSSYSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1coc(CNC2CC(F)(F)C2)c1 ZINC000718036393 712737705 /nfs/dbraw/zinc/73/77/05/712737705.db2.gz DCYKJUBOKRWGNE-UHFFFAOYSA-N 0 1 201.216 2.475 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC(C)(F)F ZINC000718611947 712772858 /nfs/dbraw/zinc/77/28/58/712772858.db2.gz CMIZTTQFIQGEBR-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC(C)(F)F)C[C@H]1C(=O)[O-] ZINC000718647973 712776567 /nfs/dbraw/zinc/77/65/67/712776567.db2.gz RVTGRGBPTHPDLY-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN c1cc(CN[C@@H]2CC23CCCCC3)no1 ZINC000720418372 712841080 /nfs/dbraw/zinc/84/10/80/712841080.db2.gz XOZWARZFKGWIIV-LLVKDONJSA-N 0 1 206.289 2.487 20 0 BEADMN c1ncn2cc(-c3cnc4n[nH]cc4c3)ccc12 ZINC001241423303 1169719038 /nfs/dbraw/zinc/71/90/38/1169719038.db2.gz DSGVEFBCTBSDMJ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC(C)(C)SCC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000380886528 710593914 /nfs/dbraw/zinc/59/39/14/710593914.db2.gz IQVMQWAMQYITRS-GFCCVEGCSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1noc([C@@H](C)NCCc2cccs2)n1 ZINC000381326912 710623030 /nfs/dbraw/zinc/62/30/30/710623030.db2.gz RKSSZOMGWQJESF-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000381407078 710633014 /nfs/dbraw/zinc/63/30/14/710633014.db2.gz SQPTUFAMKKMSKG-JTQLQIEISA-N 0 1 241.404 2.483 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1nccc(C(F)F)n1 ZINC000381457322 710638254 /nfs/dbraw/zinc/63/82/54/710638254.db2.gz IVRNFGQVTBFLKP-HTQZYQBOSA-N 0 1 227.258 2.302 20 0 BEADMN CC/C=C/CCOC(=O)c1cnc(NC)s1 ZINC000381567444 710657315 /nfs/dbraw/zinc/65/73/15/710657315.db2.gz VFJYNVRNAOXLPQ-SNAWJCMRSA-N 0 1 240.328 2.120 20 0 BEADMN Cc1nc(CN2CC[C@H](C(C)(C)O)C2)cs1 ZINC000721803453 710685923 /nfs/dbraw/zinc/68/59/23/710685923.db2.gz HONGRENAJNRZCX-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN N#Cc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1F ZINC000380379045 712900289 /nfs/dbraw/zinc/90/02/89/712900289.db2.gz LSSIDBISCVNBIR-TXEJJXNPSA-N 0 1 216.259 2.149 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1CC(=O)[O-] ZINC000722683098 710719387 /nfs/dbraw/zinc/71/93/87/710719387.db2.gz BCQJXJLPKRAFGI-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1CC(=O)[O-] ZINC000723531403 710726479 /nfs/dbraw/zinc/72/64/79/710726479.db2.gz JVSOTMDEFUWTGM-ZYHUDNBSSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000901977740 710876804 /nfs/dbraw/zinc/87/68/04/710876804.db2.gz RVHLMKRQLNUUDH-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN Cc1scc(CNCc2c[nH]cn2)c1C ZINC000399807644 710912710 /nfs/dbraw/zinc/91/27/10/710912710.db2.gz KMDLOGYVVJVZFW-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)c1n[nH]c2ccccc21 ZINC000078570736 710914167 /nfs/dbraw/zinc/91/41/67/710914167.db2.gz JXAFFKAUQUMDDI-VIFPVBQESA-N 0 1 243.310 2.481 20 0 BEADMN Cc1oc(C[N@H+]2CCC=C(C)C2)cc1C(=O)[O-] ZINC000382522070 710971415 /nfs/dbraw/zinc/97/14/15/710971415.db2.gz BCQJQAKAKPRVBG-UHFFFAOYSA-N 0 1 235.283 2.438 20 0 BEADMN O=C([O-])c1occc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382994103 710975704 /nfs/dbraw/zinc/97/57/04/710975704.db2.gz XXHJGGMNYOGWCA-PHIMTYICSA-N 0 1 247.294 2.376 20 0 BEADMN C/C=C\CNCc1ncc(C)c(OC)c1C ZINC000384879001 710999216 /nfs/dbraw/zinc/99/92/16/710999216.db2.gz QHWYPUYHIRBATO-WAYWQWQTSA-N 0 1 220.316 2.373 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccsc1C ZINC000389581644 711081722 /nfs/dbraw/zinc/08/17/22/711081722.db2.gz HHGWHGJQJNSWCE-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN Cc1nonc1CNC1CCC(F)(F)CC1 ZINC000390070178 711104758 /nfs/dbraw/zinc/10/47/58/711104758.db2.gz UILTYDUPTLTVIF-UHFFFAOYSA-N 0 1 231.246 2.046 20 0 BEADMN Cc1nonc1CN[C@H](C)CC1CCCC1 ZINC000390191853 711108736 /nfs/dbraw/zinc/10/87/36/711108736.db2.gz NSAHWAVJHQLCKK-SECBINFHSA-N 0 1 223.320 2.436 20 0 BEADMN CC(C)=C(C)c1nc([C@H]2CCCN2)no1 ZINC000390530647 711124220 /nfs/dbraw/zinc/12/42/20/711124220.db2.gz IIWSCHBTCBNAKU-SECBINFHSA-N 0 1 207.277 2.307 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000390564068 711125623 /nfs/dbraw/zinc/12/56/23/711125623.db2.gz LCRWJQOCXYUYQR-GFCCVEGCSA-N 0 1 239.340 2.353 20 0 BEADMN CC[C@H](C)CCNCc1nnc(C)s1 ZINC000394449786 711192779 /nfs/dbraw/zinc/19/27/79/711192779.db2.gz FGJDENVBTCCJQS-QMMMGPOBSA-N 0 1 213.350 2.372 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000394793236 711197784 /nfs/dbraw/zinc/19/77/84/711197784.db2.gz OMMUYPPBTAEWDP-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN COC(=O)/C(C)=C/CN[C@H](C)c1cccc(O)c1 ZINC000394966416 711199781 /nfs/dbraw/zinc/19/97/81/711199781.db2.gz SWGAUHFPNBDXRX-PFEDMVJOSA-N 0 1 249.310 2.162 20 0 BEADMN C[C@@H](NCCCC1CC1)c1csnn1 ZINC000398315356 711408418 /nfs/dbraw/zinc/40/84/18/711408418.db2.gz SOLMYMIWJJTERG-MRVPVSSYSA-N 0 1 211.334 2.379 20 0 BEADMN CC[C@@H](NCc1c[nH]nn1)c1ccccc1OC ZINC000398334683 711408548 /nfs/dbraw/zinc/40/85/48/711408548.db2.gz JVYXXFZHBYMILD-GFCCVEGCSA-N 0 1 246.314 2.054 20 0 BEADMN ClC1(Cl)C[C@H]1CCNCc1cocn1 ZINC000399100735 711421948 /nfs/dbraw/zinc/42/19/48/711421948.db2.gz FIASIBPEMRMTHZ-SSDOTTSWSA-N 0 1 235.114 2.348 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCSC(C)(C)C ZINC000380901233 710593749 /nfs/dbraw/zinc/59/37/49/710593749.db2.gz XHSGCVLZTSUFCR-UWVGGRQHSA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000380898149 710594403 /nfs/dbraw/zinc/59/44/03/710594403.db2.gz UDRIRKKFJDWZJP-LBPRGKRZSA-N 0 1 245.388 2.457 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccco2)[nH]n1 ZINC000381199151 710607750 /nfs/dbraw/zinc/60/77/50/710607750.db2.gz BTHPQRFGSKZKHH-SECBINFHSA-N 0 1 219.288 2.416 20 0 BEADMN CCc1cc(CN[C@H](C)c2cscn2)n[nH]1 ZINC000381197151 710607928 /nfs/dbraw/zinc/60/79/28/710607928.db2.gz BJFISDBHMLKZNZ-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1cccnc1Cl ZINC000381234201 710610501 /nfs/dbraw/zinc/61/05/01/710610501.db2.gz LNCOXQNOTIHHFE-JOYOIKCWSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1cccnc1Cl ZINC000381234206 710610670 /nfs/dbraw/zinc/61/06/70/710610670.db2.gz LNCOXQNOTIHHFE-SKDRFNHKSA-N 0 1 240.734 2.392 20 0 BEADMN CC[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039514119 710743968 /nfs/dbraw/zinc/74/39/68/710743968.db2.gz CZVITEUPKNNKJF-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001054252103 710923812 /nfs/dbraw/zinc/92/38/12/710923812.db2.gz AAAONRFQPKWNDO-UHFFFAOYSA-N 0 1 244.338 2.048 20 0 BEADMN C/C=C/CNCc1ncc(C)c(OC)c1C ZINC000384878997 711000180 /nfs/dbraw/zinc/00/01/80/711000180.db2.gz QHWYPUYHIRBATO-AATRIKPKSA-N 0 1 220.316 2.373 20 0 BEADMN CCC=CCNc1nc(Cl)nc2[nH]cnc21 ZINC000384964209 711001553 /nfs/dbraw/zinc/00/15/53/711001553.db2.gz XCLQWNKPFPFOES-ONEGZZNKSA-N 0 1 237.694 2.336 20 0 BEADMN Cc1nc([C@@H](C)NCc2cccc(C)c2)n[nH]1 ZINC000392381529 711144846 /nfs/dbraw/zinc/14/48/46/711144846.db2.gz SRAFLIWDFNNOGT-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)s1 ZINC000392419342 711146123 /nfs/dbraw/zinc/14/61/23/711146123.db2.gz NSSKEISBICRZKL-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nnc([C@H](C)NC2CC(C(C)C)C2)[nH]1 ZINC000392388555 711146942 /nfs/dbraw/zinc/14/69/42/711146942.db2.gz RWSVZXUXLLEKPZ-PUSIOWJLSA-N 0 1 222.336 2.198 20 0 BEADMN CCc1ccc(CN[C@H](C)c2n[nH]c(C)n2)o1 ZINC000392462812 711148654 /nfs/dbraw/zinc/14/86/54/711148654.db2.gz ODSKYIXFYQFFSW-MRVPVSSYSA-N 0 1 234.303 2.119 20 0 BEADMN Cc1cncc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000397044040 711375582 /nfs/dbraw/zinc/37/55/82/711375582.db2.gz XJUXREWKCHKXLK-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncc(CNCC[C@@H](O)c2ccccc2)o1 ZINC000397943304 711396766 /nfs/dbraw/zinc/39/67/66/711396766.db2.gz ILLHVESMSCFLEB-CQSZACIVSA-N 0 1 246.310 2.196 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CC(=O)[O-] ZINC000722608251 711455435 /nfs/dbraw/zinc/45/54/35/711455435.db2.gz DNOFCEOXSXKDJJ-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C1(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1 ZINC000722602946 711455467 /nfs/dbraw/zinc/45/54/67/711455467.db2.gz DCZYOTJJYDSHGW-VXGBXAGGSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)o1 ZINC000722620289 711455912 /nfs/dbraw/zinc/45/59/12/711455912.db2.gz DSMSEBXGMSCXDG-MWLCHTKSSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@H]1CC(=O)[O-] ZINC000722695371 711466310 /nfs/dbraw/zinc/46/63/10/711466310.db2.gz AEVPVZRXQXXYSZ-ZYHUDNBSSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)NCc1nc(-c2cccc(F)c2)no1 ZINC000037606129 711481031 /nfs/dbraw/zinc/48/10/31/711481031.db2.gz WABORQGHKBFHNR-UHFFFAOYSA-N 0 1 235.262 2.374 20 0 BEADMN CCOC1CCN(C/C=C/Cl)CC1 ZINC000050071793 711489100 /nfs/dbraw/zinc/48/91/00/711489100.db2.gz QBNKGMZUQFDQJF-ZZXKWVIFSA-N 0 1 203.713 2.240 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN(C)C1CC1 ZINC000047914974 711489499 /nfs/dbraw/zinc/48/94/99/711489499.db2.gz CKYZOSXDDPMJOY-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H](Nc1nc(Cl)nc2[nH]cnc21)C1CC1 ZINC000134187773 711490612 /nfs/dbraw/zinc/49/06/12/711490612.db2.gz RRMMHJSWQIAJCZ-RXMQYKEDSA-N 0 1 237.694 2.217 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1scnc1Cl ZINC000713496886 711491395 /nfs/dbraw/zinc/49/13/95/711491395.db2.gz QUJMILJYTCKOMX-YUMQZZPRSA-N 0 1 246.763 2.046 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccnc(Cl)c1 ZINC000723032685 711497149 /nfs/dbraw/zinc/49/71/49/711497149.db2.gz VJEPXXDOFHKEKC-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@H](C)c1csnn1 ZINC000723104550 711503148 /nfs/dbraw/zinc/50/31/48/711503148.db2.gz WXRYFOWDWPFHKN-HLTSFMKQSA-N 0 1 211.334 2.235 20 0 BEADMN Cc1nc(C)c(CN[C@H]2COC3(CCC3)C2)o1 ZINC000723601313 711524149 /nfs/dbraw/zinc/52/41/49/711524149.db2.gz AJYWCOQAXNPJSW-LLVKDONJSA-N 0 1 236.315 2.093 20 0 BEADMN COc1nccc(CN2CCC[C@H](C)C2)c1F ZINC000891445628 711524651 /nfs/dbraw/zinc/52/46/51/711524651.db2.gz DJOUSMRVKDIWLK-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN FC(F)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723627415 711526909 /nfs/dbraw/zinc/52/69/09/711526909.db2.gz CRNWBNMYYNPDRG-KXUCPTDWSA-N 0 1 219.275 2.046 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000723870385 711540799 /nfs/dbraw/zinc/54/07/99/711540799.db2.gz BKBYCNUBFROEDZ-ZDUSSCGKSA-N 0 1 248.326 2.138 20 0 BEADMN CC[C@H](N[C@@H](C)C(F)F)[C@H]1CCCOC1 ZINC000724010140 711555376 /nfs/dbraw/zinc/55/53/76/711555376.db2.gz PNEQRHDGWWKACY-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1ccc(Cl)nc1 ZINC000724123305 711562280 /nfs/dbraw/zinc/56/22/80/711562280.db2.gz WKMCWULVLZVUGV-GHMZBOCLSA-N 0 1 240.734 2.344 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000924407254 711576655 /nfs/dbraw/zinc/57/66/55/711576655.db2.gz HOPLFDDTFPLPAF-UFBFGSQYSA-N 0 1 235.287 2.074 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1nccn1C1CC1 ZINC000892214356 711583156 /nfs/dbraw/zinc/58/31/56/711583156.db2.gz HJEFGVPBXNSWTR-WDEREUQCSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCc1cccs1)C1CC1 ZINC000383542109 711593458 /nfs/dbraw/zinc/59/34/58/711593458.db2.gz OSJRYNKKIXKKHY-VIFPVBQESA-N 0 1 239.340 2.228 20 0 BEADMN Cc1cc(CNc2cc(C(F)F)ncn2)n[nH]1 ZINC000724638662 711602295 /nfs/dbraw/zinc/60/22/95/711602295.db2.gz CYNFTTCCXGHHQE-UHFFFAOYSA-N 0 1 239.229 2.058 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000724775620 711612435 /nfs/dbraw/zinc/61/24/35/711612435.db2.gz ALDNFQLSIMTIGD-SNVBAGLBSA-N 0 1 247.264 2.492 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)c2cccnc2)[nH]1 ZINC000724790446 711614555 /nfs/dbraw/zinc/61/45/55/711614555.db2.gz VUGFJWLNHMDQAN-SECBINFHSA-N 0 1 230.315 2.272 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721529012 711618201 /nfs/dbraw/zinc/61/82/01/711618201.db2.gz CLJULGLCIGCIAC-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721542038 711620155 /nfs/dbraw/zinc/62/01/55/711620155.db2.gz RLVASVYKIWUMBI-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN CCC[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CC1 ZINC000721547419 711622301 /nfs/dbraw/zinc/62/23/01/711622301.db2.gz LDFUXVKDKJXMMH-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721549144 711622335 /nfs/dbraw/zinc/62/23/35/711622335.db2.gz ZOWSCSYPJDXKGS-PHIMTYICSA-N 0 1 248.326 2.258 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC000721548496 711622482 /nfs/dbraw/zinc/62/24/82/711622482.db2.gz SYYVZRJGRFNIEA-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721547368 711622602 /nfs/dbraw/zinc/62/26/02/711622602.db2.gz KVBCPISTMBKTJD-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H]1CCCC1(F)F ZINC000926524235 711625033 /nfs/dbraw/zinc/62/50/33/711625033.db2.gz MEMGVSGXWHPIRR-VXNVDRBHSA-N 0 1 245.273 2.464 20 0 BEADMN COc1ccc(CNCCOC2CCCC2)o1 ZINC000892711996 711685950 /nfs/dbraw/zinc/68/59/50/711685950.db2.gz APZJESUMVHSTKW-UHFFFAOYSA-N 0 1 239.315 2.337 20 0 BEADMN Cc1ncccc1CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461974 711719369 /nfs/dbraw/zinc/71/93/69/711719369.db2.gz HVAVCRNYYCNWRW-JTQLQIEISA-N 0 1 242.326 2.232 20 0 BEADMN C[C@@H]1CN(C2CC(OC(C)(C)C)C2)C[C@H](C)O1 ZINC000334987485 711719500 /nfs/dbraw/zinc/71/95/00/711719500.db2.gz APJGHTXPCDKSLZ-MPEURRAXSA-N 0 1 241.375 2.442 20 0 BEADMN c1nc2c([nH]1)C1(CCC1)N(CCC1CC1)CC2 ZINC000931674591 711742493 /nfs/dbraw/zinc/74/24/93/711742493.db2.gz CAIRXWILHFFSSU-UHFFFAOYSA-N 0 1 231.343 2.447 20 0 BEADMN CCCCC[C@@H](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000236798607 711762134 /nfs/dbraw/zinc/76/21/34/711762134.db2.gz VRJLSZFPXKVZCG-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C[C@@H]21 ZINC000721754377 711764043 /nfs/dbraw/zinc/76/40/43/711764043.db2.gz JWYLSFBXZOTGJJ-IKKURHKOSA-N 0 1 249.354 2.075 20 0 BEADMN CN(C)C1(C(=O)Nc2cccc(F)c2)CCC1 ZINC000158661167 711764804 /nfs/dbraw/zinc/76/48/04/711764804.db2.gz OGIHROCQDVWDFK-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN COc1ccc(CN[C@H](C)COCC2CC2)o1 ZINC000895168770 711778885 /nfs/dbraw/zinc/77/88/85/711778885.db2.gz CSCPXCTUQFYJSU-SNVBAGLBSA-N 0 1 239.315 2.193 20 0 BEADMN CCn1cc(CN2CC[C@@H](C3CCCC3)C2)nn1 ZINC000899872716 711803707 /nfs/dbraw/zinc/80/37/07/711803707.db2.gz MGKIWDZFMRMDOD-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-])C(C)(C)C ZINC000721242603 711824892 /nfs/dbraw/zinc/82/48/92/711824892.db2.gz MAOLTJCNSUFLFY-KXNHARMFSA-N 0 1 239.359 2.321 20 0 BEADMN CCC[N@@H+](CN1CCSC1=S)C1CC1 ZINC000171603179 711839676 /nfs/dbraw/zinc/83/96/76/711839676.db2.gz TXRZBSIROGSHHC-UHFFFAOYSA-N 0 1 230.402 2.152 20 0 BEADMN CCCN(CN1CCSC1=S)C1CC1 ZINC000171603179 711839677 /nfs/dbraw/zinc/83/96/77/711839677.db2.gz TXRZBSIROGSHHC-UHFFFAOYSA-N 0 1 230.402 2.152 20 0 BEADMN COC(=O)/C(C)=C/CN(C)Cc1ccccc1 ZINC000088630353 711844059 /nfs/dbraw/zinc/84/40/59/711844059.db2.gz CRQAZKVYWWVSOY-FMIVXFBMSA-N 0 1 233.311 2.238 20 0 BEADMN CCC1(O)CCC(NCc2cc(C)on2)CC1 ZINC000702952598 711872198 /nfs/dbraw/zinc/87/21/98/711872198.db2.gz DETMXTRECPYATB-UHFFFAOYSA-N 0 1 238.331 2.156 20 0 BEADMN O=C(Nc1cccc(O)c1)c1cn[nH]c1C1CC1 ZINC000184166797 711900685 /nfs/dbraw/zinc/90/06/85/711900685.db2.gz NCVYFMLIGBSAGK-UHFFFAOYSA-N 0 1 243.266 2.245 20 0 BEADMN CC(C)(CNC(=O)C(F)(F)F)C(C)(F)F ZINC000700355052 711989588 /nfs/dbraw/zinc/98/95/88/711989588.db2.gz GWNPUXLSDQPIFM-UHFFFAOYSA-N 0 1 233.180 2.346 20 0 BEADMN Cc1nn(C)c(CN[C@@H]2C=CCC2)c1Cl ZINC000700506058 711995393 /nfs/dbraw/zinc/99/53/93/711995393.db2.gz XGXKPLOQYUUOTP-SECBINFHSA-N 0 1 225.723 2.190 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701502383 712024782 /nfs/dbraw/zinc/02/47/82/712024782.db2.gz WQJSAMSWSPYYCC-SMDDNHRTSA-N 0 1 249.310 2.275 20 0 BEADMN CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701501688 712024934 /nfs/dbraw/zinc/02/49/34/712024934.db2.gz FJWDEKILQBVBIA-MDZLAQPJSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@](O)(CN1CCC[C@H](F)C1)c1ccccc1 ZINC000701771445 712029017 /nfs/dbraw/zinc/02/90/17/712029017.db2.gz RJLWCTKXYFQPJD-UONOGXRCSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1ccc(C[N@H+](C)C2CC2)cc1C(=O)[O-] ZINC000701825041 712030352 /nfs/dbraw/zinc/03/03/52/712030352.db2.gz ZWXQSEBTZFKCAQ-UHFFFAOYSA-N 0 1 219.284 2.287 20 0 BEADMN COc1cccc(CNC2CSC2)c1F ZINC000701959014 712033356 /nfs/dbraw/zinc/03/33/56/712033356.db2.gz LCNRICHQLKMBDD-UHFFFAOYSA-N 0 1 227.304 2.039 20 0 BEADMN CC1(C)C[C@]1(C)CNCc1csnn1 ZINC000701974232 712033734 /nfs/dbraw/zinc/03/37/34/712033734.db2.gz YIJJXLTXUTUFKU-SNVBAGLBSA-N 0 1 211.334 2.064 20 0 BEADMN COC(=O)c1occc1CN[C@]1(C)CC1(C)C ZINC000701969520 712033815 /nfs/dbraw/zinc/03/38/15/712033815.db2.gz RLARDUWEBRQDQK-CYBMUJFWSA-N 0 1 237.299 2.344 20 0 BEADMN CCC(=O)N[C@H]1CCCC[N@@H+](C/C=C/Cl)C1 ZINC001034059961 712037481 /nfs/dbraw/zinc/03/74/81/712037481.db2.gz FLTYOCRNTVJAAE-ZRQQLDRUSA-N 0 1 244.766 2.120 20 0 BEADMN CCC(=O)N[C@H]1CCCCN(C/C=C/Cl)C1 ZINC001034059961 712037483 /nfs/dbraw/zinc/03/74/83/712037483.db2.gz FLTYOCRNTVJAAE-ZRQQLDRUSA-N 0 1 244.766 2.120 20 0 BEADMN COC(=O)c1sccc1CNCC[C@H](C)F ZINC000702565668 712055939 /nfs/dbraw/zinc/05/59/39/712055939.db2.gz XMLDYAXBWPJLMG-QMMMGPOBSA-N 0 1 245.319 2.372 20 0 BEADMN C[C@@H](F)CCNc1nc(Cl)nc2[nH]cnc21 ZINC000702644710 712058063 /nfs/dbraw/zinc/05/80/63/712058063.db2.gz NOPAVHXTKQRUCI-RXMQYKEDSA-N 0 1 243.673 2.118 20 0 BEADMN COC(=O)/C(C)=C/CN(C)[C@H](C)c1ccncc1 ZINC000383610742 712061834 /nfs/dbraw/zinc/06/18/34/712061834.db2.gz FGXHYESFNYKJCB-YTRUQHMWSA-N 0 1 248.326 2.194 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000704717915 712113833 /nfs/dbraw/zinc/11/38/33/712113833.db2.gz JXFLREMZXDTBMI-NSHDSACASA-N 0 1 249.301 2.464 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000704749042 712114831 /nfs/dbraw/zinc/11/48/31/712114831.db2.gz UJTNMBNOKLVIIQ-AEJSXWLSSA-N 0 1 247.285 2.217 20 0 BEADMN COC(=O)/C(C)=C/CN1CCCC(F)(F)CC1 ZINC000705665051 712134944 /nfs/dbraw/zinc/13/49/44/712134944.db2.gz AWOWDDOGQMLARW-ONNFQVAWSA-N 0 1 247.285 2.227 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2N)[C@@H]1C ZINC000706874297 712157729 /nfs/dbraw/zinc/15/77/29/712157729.db2.gz ZTUOLSQRNSJKKS-RKDXNWHRSA-N 0 1 208.280 2.248 20 0 BEADMN CC(C)n1ncnc1CN[C@@H](C)C1(C)CC1 ZINC000706905397 712160196 /nfs/dbraw/zinc/16/01/96/712160196.db2.gz YCHIZJCFSUCNDR-JTQLQIEISA-N 0 1 222.336 2.137 20 0 BEADMN CSC1CC(N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000708256144 712184920 /nfs/dbraw/zinc/18/49/20/712184920.db2.gz DEJYNNVNWPHGPC-AGVGLQIMSA-N 0 1 237.372 2.373 20 0 BEADMN CC[C@H]1CN(C[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000708375669 712190960 /nfs/dbraw/zinc/19/09/60/712190960.db2.gz HYWZDUNHRXDPAM-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1nnc(CN[C@H](C)[C@]23C[C@H]2CCCC3)o1 ZINC000708841307 712200761 /nfs/dbraw/zinc/20/07/61/712200761.db2.gz PQVHINIDCOYWDR-XWIASGKRSA-N 0 1 235.331 2.436 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2ccns2)c2nccn21 ZINC000709897569 712231162 /nfs/dbraw/zinc/23/11/62/712231162.db2.gz WVVBFZOBRWJSMW-MWLCHTKSSA-N 0 1 248.355 2.178 20 0 BEADMN CC(C)SCCN[C@@H](C)c1cn(C)cn1 ZINC000710042959 712242993 /nfs/dbraw/zinc/24/29/93/712242993.db2.gz NDGLHCVBBGKVQN-JTQLQIEISA-N 0 1 227.377 2.212 20 0 BEADMN CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710165115 712246836 /nfs/dbraw/zinc/24/68/36/712246836.db2.gz QWIVKPKYZYMZKA-DMDPSCGWSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H](C[N@H+]1CCSC[C@@H]1C(=O)[O-])C(C)(C)C ZINC000710759181 712256128 /nfs/dbraw/zinc/25/61/28/712256128.db2.gz OUOBWBPOXVOHMB-NXEZZACHSA-N 0 1 245.388 2.171 20 0 BEADMN CC1(C)CC[C@@H](CNCc2cscn2)OC1 ZINC000711393203 712297324 /nfs/dbraw/zinc/29/73/24/712297324.db2.gz WGBMRXHFGQJIIY-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1cn(C)cn1 ZINC000711424319 712299473 /nfs/dbraw/zinc/29/94/73/712299473.db2.gz SMMJATIODSCRPF-RYUDHWBXSA-N 0 1 249.358 2.172 20 0 BEADMN Cc1cc(CNC[C@H]2CCC3(CCC3)O2)on1 ZINC000711463478 712304711 /nfs/dbraw/zinc/30/47/11/712304711.db2.gz QTMWYWWKHDYZSQ-LLVKDONJSA-N 0 1 236.315 2.174 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCC[C@H](CF)C1 ZINC000711456499 712304764 /nfs/dbraw/zinc/30/47/64/712304764.db2.gz SUXMWUXAUHSPSJ-NEPJUHHUSA-N 0 1 245.338 2.400 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@H](CF)C2)cc1C(=O)[O-] ZINC000711489254 712306156 /nfs/dbraw/zinc/30/61/56/712306156.db2.gz JZHWEESKIVEFFJ-SECBINFHSA-N 0 1 241.262 2.078 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711488614 712306216 /nfs/dbraw/zinc/30/62/16/712306216.db2.gz FBCQOXXKSMMXNK-VIFPVBQESA-N 0 1 241.262 2.078 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@H]1CCC3(CCC3)O1)CC2 ZINC000711514636 712308239 /nfs/dbraw/zinc/30/82/39/712308239.db2.gz DCRMPKRMIMQQGS-VXGBXAGGSA-N 0 1 247.342 2.019 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000711677502 712315881 /nfs/dbraw/zinc/31/58/81/712315881.db2.gz WZOHQWIULJFKGB-BZPMIXESSA-N 0 1 235.327 2.424 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)c1ccc(F)cc1O ZINC000711726026 712322482 /nfs/dbraw/zinc/32/24/82/712322482.db2.gz DMBKRYCCPALMOA-SECBINFHSA-N 0 1 235.258 2.227 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nccn2C2CC2)C1(C)C ZINC000711751170 712324322 /nfs/dbraw/zinc/32/43/22/712324322.db2.gz HUOMUNUIMHKCQK-NEPJUHHUSA-N 0 1 249.358 2.121 20 0 BEADMN CC(C)(NCCOC1CC1)c1nccs1 ZINC000711757947 712325456 /nfs/dbraw/zinc/32/54/56/712325456.db2.gz FLQOGTOONSHXLP-UHFFFAOYSA-N 0 1 226.345 2.147 20 0 BEADMN CO[C@H]([C@H](C)NCc1nccn1C1CC1)C1CC1 ZINC000711765606 712327446 /nfs/dbraw/zinc/32/74/46/712327446.db2.gz RMNPUYUHMSKFCV-IINYFYTJSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H](F)CCNCc1nccn1C1CC1 ZINC000711782396 712329146 /nfs/dbraw/zinc/32/91/46/712329146.db2.gz DNLZWWBPIVWAJV-SECBINFHSA-N 0 1 211.284 2.056 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nccn2C2CC2)CS1 ZINC000711816057 712329201 /nfs/dbraw/zinc/32/92/01/712329201.db2.gz GOWMNSPWDREYND-NXEZZACHSA-N 0 1 237.372 2.202 20 0 BEADMN C[C@H]1CSC[C@@H]1NCc1nccn1C1CC1 ZINC000711817105 712332430 /nfs/dbraw/zinc/33/24/30/712332430.db2.gz KPOMBKCPBZDUTL-ONGXEEELSA-N 0 1 237.372 2.059 20 0 BEADMN FC1(F)CC[C@@H](NCc2nccn2C2CC2)C1 ZINC000711816429 712332509 /nfs/dbraw/zinc/33/25/09/712332509.db2.gz HDPNXXLOZNDDDD-SECBINFHSA-N 0 1 241.285 2.495 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)Cc1ccn[nH]1 ZINC000170242614 712354874 /nfs/dbraw/zinc/35/48/74/712354874.db2.gz YQWKPRQZQJKUPS-UHFFFAOYSA-N 0 1 237.347 2.093 20 0 BEADMN CC(C)[C@@](C)(CO)NC/C(Cl)=C\Cl ZINC000379417289 712384119 /nfs/dbraw/zinc/38/41/19/712384119.db2.gz UHYAOUCPYZEMQU-VGANXODHSA-N 0 1 226.147 2.302 20 0 BEADMN CCC=C(C)C(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000390293502 712393036 /nfs/dbraw/zinc/39/30/36/712393036.db2.gz BHSOAMWBZNCVQW-ZKXNXJMVSA-N 0 1 221.304 2.333 20 0 BEADMN CCC/C=C/C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795337113 712424315 /nfs/dbraw/zinc/42/43/15/712424315.db2.gz UMFNCSDXNBOCPC-VOTSOKGWSA-N 0 1 237.303 2.328 20 0 BEADMN CCC/C=C/C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795337113 712424316 /nfs/dbraw/zinc/42/43/16/712424316.db2.gz UMFNCSDXNBOCPC-VOTSOKGWSA-N 0 1 237.303 2.328 20 0 BEADMN Cn1cc(CNc2ccc3c(n2)CCCC3)cn1 ZINC000712369863 712428162 /nfs/dbraw/zinc/42/81/62/712428162.db2.gz IUIPPGWUTJDPHX-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN CN1CC[C@H]1CNc1nc2ccccc2s1 ZINC000712596546 712435843 /nfs/dbraw/zinc/43/58/43/712435843.db2.gz UWELIKGWJGLRJD-VIFPVBQESA-N 0 1 233.340 2.412 20 0 BEADMN c1nc2c(ncnc2NCC[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC000712743627 712448669 /nfs/dbraw/zinc/44/86/69/712448669.db2.gz QBTUORAJFBXGRZ-ZJUUUORDSA-N 0 1 243.314 2.153 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1scnc1Cl ZINC000713498104 712463128 /nfs/dbraw/zinc/46/31/28/712463128.db2.gz ZELUWCDOYITPEM-XVKPBYJWSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000713704718 712469561 /nfs/dbraw/zinc/46/95/61/712469561.db2.gz WBQJGPJDKOIMPO-VSQXVHSFSA-N 0 1 223.316 2.305 20 0 BEADMN C=C/C=C/CC[N@@H+](CCC(=O)[O-])C(C)C ZINC000713703937 712469592 /nfs/dbraw/zinc/46/95/92/712469592.db2.gz TVEFXTJTJGVMTK-AATRIKPKSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000713711511 712470071 /nfs/dbraw/zinc/47/00/71/712470071.db2.gz VAHKLIZQGPXCAL-PGLGOXFNSA-N 0 1 241.356 2.011 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000713771381 712472275 /nfs/dbraw/zinc/47/22/75/712472275.db2.gz QUXUDIJFBSFYFL-ZJUUUORDSA-N 0 1 247.342 2.207 20 0 BEADMN CCCn1cc(CNCCC2(F)CCC2)nn1 ZINC000714438388 712487732 /nfs/dbraw/zinc/48/77/32/712487732.db2.gz SIIMPPGLXAUVJY-UHFFFAOYSA-N 0 1 240.326 2.060 20 0 BEADMN CO[C@H]1C[C@H](CNc2cccc(C)n2)C1 ZINC000714677487 712495533 /nfs/dbraw/zinc/49/55/33/712495533.db2.gz UJIFVRUNNRYKEI-XYPYZODXSA-N 0 1 206.289 2.227 20 0 BEADMN C[C@H](C[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000715441414 712519323 /nfs/dbraw/zinc/51/93/23/712519323.db2.gz PMPFUTGHSVNTMV-JLLWLGSASA-N 0 1 225.332 2.075 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C[C@@H]21 ZINC000715443233 712519405 /nfs/dbraw/zinc/51/94/05/712519405.db2.gz AKEWAGNLRGWPGR-PEBLQZBPSA-N 0 1 249.354 2.075 20 0 BEADMN CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H](C)C(=O)[O-] ZINC000715440535 712519414 /nfs/dbraw/zinc/51/94/14/712519414.db2.gz NJTNIDXBCHFZRB-WCQGTBRESA-N 0 1 225.332 2.218 20 0 BEADMN CCCn1cc([C@@H](C)NCCc2ccco2)nn1 ZINC000715875639 712538847 /nfs/dbraw/zinc/53/88/47/712538847.db2.gz GGRVKBDUAQQMTQ-LLVKDONJSA-N 0 1 248.330 2.174 20 0 BEADMN Cc1csc(CNCc2n[nH]c(C)c2C)n1 ZINC000716453020 712561819 /nfs/dbraw/zinc/56/18/19/712561819.db2.gz ZXGBBUYOESJOHQ-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000716450243 712562026 /nfs/dbraw/zinc/56/20/26/712562026.db2.gz KMZIXIDEIFHPNF-KJPMQGKISA-N 0 1 233.315 2.254 20 0 BEADMN Cc1[nH]nc(CNCc2ccccc2F)c1C ZINC000716457803 712562351 /nfs/dbraw/zinc/56/23/51/712562351.db2.gz BVWRQNXQEJVIKA-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN Cc1n[nH]c(CNCc2ccc(O)c(F)c2)c1C ZINC000716461550 712563076 /nfs/dbraw/zinc/56/30/76/712563076.db2.gz MZQVOFZPMXPTST-UHFFFAOYSA-N 0 1 249.289 2.161 20 0 BEADMN CC[C@H](C[C@H](C)O)Nc1ccnc(C)c1Cl ZINC000716879998 712580099 /nfs/dbraw/zinc/58/00/99/712580099.db2.gz MEFUMBBKFJJPEY-WCBMZHEXSA-N 0 1 242.750 2.427 20 0 BEADMN CCN(CCF)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854464 712587243 /nfs/dbraw/zinc/58/72/43/712587243.db2.gz XVTDOTDLISIFCD-AAEUAGOBSA-N 0 1 225.307 2.400 20 0 BEADMN COC(=O)/C=C\c1ccc(CN[C@@H]2C=CCC2)o1 ZINC000826942302 712592851 /nfs/dbraw/zinc/59/28/51/712592851.db2.gz OPXSRAJCRGAOCT-TYBABMIJSA-N 0 1 247.294 2.274 20 0 BEADMN COC(=O)/C=C\c1ccc(CN[C@H]2C=CCC2)o1 ZINC000826942299 712592906 /nfs/dbraw/zinc/59/29/06/712592906.db2.gz OPXSRAJCRGAOCT-IQQGHNRFSA-N 0 1 247.294 2.274 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC[S@@](C)=O ZINC000827477860 712593367 /nfs/dbraw/zinc/59/33/67/712593367.db2.gz IKIGBTQACBEUJN-BLLLJJGKSA-N 0 1 239.384 2.366 20 0 BEADMN CC(C)n1ncnc1CNCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717138519 712634733 /nfs/dbraw/zinc/63/47/33/712634733.db2.gz QTTIMXZPTWSZHH-AVGNSLFASA-N 0 1 248.374 2.385 20 0 BEADMN Nc1cc(N)nc(SC2CC3(CCC3)C2)n1 ZINC000717513238 712660391 /nfs/dbraw/zinc/66/03/91/712660391.db2.gz AYPAYQVFRQQVMV-UHFFFAOYSA-N 0 1 236.344 2.066 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@H]2CCC=CO2)c2nccn21 ZINC000380008675 712669667 /nfs/dbraw/zinc/66/96/67/712669667.db2.gz FVHYYTXHDYSRMR-WOPDTQHZSA-N 0 1 233.315 2.171 20 0 BEADMN CCN[C@H](C)c1nc(-c2cc(C)ccn2)no1 ZINC000111682766 712688448 /nfs/dbraw/zinc/68/84/48/712688448.db2.gz XXFDFTFKRDBDJB-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN CCc1nnc(CNC2(C3CC3)CCC2)o1 ZINC000717842491 712692299 /nfs/dbraw/zinc/69/22/99/712692299.db2.gz HDLVJMZPELRUNJ-UHFFFAOYSA-N 0 1 221.304 2.054 20 0 BEADMN c1nc2c(ncnc2NC2CCC=CCC2)[nH]1 ZINC000718033682 712736902 /nfs/dbraw/zinc/73/69/02/712736902.db2.gz JLVPYHZKQMFDBI-UHFFFAOYSA-N 0 1 229.287 2.264 20 0 BEADMN Cc1coc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000718059294 712740157 /nfs/dbraw/zinc/74/01/57/712740157.db2.gz SONJMROZARZHON-AAEUAGOBSA-N 0 1 221.300 2.245 20 0 BEADMN Cn1ccc(CNCc2cnc(Cl)s2)c1 ZINC000718176137 712751465 /nfs/dbraw/zinc/75/14/65/712751465.db2.gz NONYUOAZBYMVAT-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN CC(C)NCc1cn(CCCC(C)(F)F)nn1 ZINC000718634969 712773179 /nfs/dbraw/zinc/77/31/79/712773179.db2.gz RYYIIQWQXVVRPD-UHFFFAOYSA-N 0 1 246.305 2.212 20 0 BEADMN CCC[N@@H+](CCCC(C)(F)F)CC(=O)[O-] ZINC000718611506 712773182 /nfs/dbraw/zinc/77/31/82/712773182.db2.gz AQYCTLHXCASQOV-UHFFFAOYSA-N 0 1 223.263 2.218 20 0 BEADMN C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@H]1C(=O)[O-] ZINC000718629890 712773686 /nfs/dbraw/zinc/77/36/86/712773686.db2.gz LZZPBVLJWLLLKV-VHSXEESVSA-N 0 1 249.301 2.464 20 0 BEADMN C[N@@H+](CCCC(C)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000718641411 712776672 /nfs/dbraw/zinc/77/66/72/712776672.db2.gz CFFAXKDYRFXOEM-DTORHVGOSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccco1)c1ccco1 ZINC000037890588 712781437 /nfs/dbraw/zinc/78/14/37/712781437.db2.gz YFZGWBCFXPOXTE-NXEZZACHSA-N 0 1 221.256 2.257 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=Cc1cccs1 ZINC000037990393 712796033 /nfs/dbraw/zinc/79/60/33/712796033.db2.gz XAQOZCBDASVUGX-SNAWJCMRSA-N 0 1 247.323 2.109 20 0 BEADMN C[C@H](COCc1ccccc1)CN1CCOCC1 ZINC000719487388 712808940 /nfs/dbraw/zinc/80/89/40/712808940.db2.gz MVBQYQUZLSEGNQ-AWEZNQCLSA-N 0 1 249.354 2.172 20 0 BEADMN CC(C)c1nsc(N[C@H]2CCN(C)[C@H]2C)n1 ZINC000719572536 712811103 /nfs/dbraw/zinc/81/11/03/712811103.db2.gz VMHXZIZKCCJQQU-IUCAKERBSA-N 0 1 240.376 2.166 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nccn1C(C)C ZINC000720172657 712828967 /nfs/dbraw/zinc/82/89/67/712828967.db2.gz XYNDCTALDSHYNQ-LLVKDONJSA-N 0 1 239.363 2.367 20 0 BEADMN Cc1conc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000720362814 712835478 /nfs/dbraw/zinc/83/54/78/712835478.db2.gz PCYGEANIAWDYFU-CYZMBNFOSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1cc(CNCCC(C)(C)F)no1 ZINC000720364250 712835979 /nfs/dbraw/zinc/83/59/79/712835979.db2.gz YKZQTJCINWZIAX-UHFFFAOYSA-N 0 1 200.257 2.211 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)no1 ZINC000720411385 712840908 /nfs/dbraw/zinc/84/09/08/712840908.db2.gz HDATUFSUVDVJHW-ZDAZMGEQSA-N 0 1 220.316 2.365 20 0 BEADMN CC1(NCc2ccccn2)CC(F)(F)C1 ZINC000720927094 712879294 /nfs/dbraw/zinc/87/92/94/712879294.db2.gz FTLSKBWHZYOXFL-UHFFFAOYSA-N 0 1 212.243 2.359 20 0 BEADMN CC1(NCc2ccc(CO)o2)CC(F)(F)C1 ZINC000720948799 712881469 /nfs/dbraw/zinc/88/14/69/712881469.db2.gz DHHQWOYAGLVFRO-UHFFFAOYSA-N 0 1 231.242 2.049 20 0 BEADMN CCn1nccc1CNC1(C)CC(F)(F)C1 ZINC000720949372 712881867 /nfs/dbraw/zinc/88/18/67/712881867.db2.gz ITXOXBGGYSEXNQ-UHFFFAOYSA-N 0 1 229.274 2.180 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1ccc(F)cc1O ZINC000721152506 712892770 /nfs/dbraw/zinc/89/27/70/712892770.db2.gz WUFSJUHULIZIAD-NSHDSACASA-N 0 1 235.258 2.204 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721186639 712895118 /nfs/dbraw/zinc/89/51/18/712895118.db2.gz ZJEUKFJTGCYSNU-YFKTTZPYSA-N 0 1 225.332 2.075 20 0 BEADMN CC(=O)NC[C@H]1CCN1Cc1ccc(C)c(C)c1 ZINC001037984705 712895197 /nfs/dbraw/zinc/89/51/97/712895197.db2.gz GOCADXRBCLRDNL-OAHLLOKOSA-N 0 1 246.354 2.014 20 0 BEADMN CC(C)c1cc(N2C[C@@H](C)N(C)C[C@@H]2C)ncn1 ZINC000351505243 719185833 /nfs/dbraw/zinc/18/58/33/719185833.db2.gz MIXVEPZBQBGZJD-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1cc(N2C[C@H](C)N(C)C[C@H]2C)ncn1 ZINC000351505244 719185872 /nfs/dbraw/zinc/18/58/72/719185872.db2.gz MIXVEPZBQBGZJD-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1ncc(CN2CCO[C@H](C)CC2)s1 ZINC000932335517 957020483 /nfs/dbraw/zinc/02/04/83/957020483.db2.gz HWRXPVAUNANWJI-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncn(C)c1Nc1cc(C)cnc1F ZINC001211499401 957064725 /nfs/dbraw/zinc/06/47/25/957064725.db2.gz DEIBDGHNENRGGB-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN O[C@]1(CF)CCN(CCC2CCCC2)C[C@@H]1F ZINC001208690956 957132392 /nfs/dbraw/zinc/13/23/92/957132392.db2.gz ZDHGIUISUURJNZ-STQMWFEESA-N 0 1 247.329 2.311 20 0 BEADMN C[C@H](CN1C[C@@H](C)[C@@H](F)C1)C(F)(F)F ZINC001208886798 957204673 /nfs/dbraw/zinc/20/46/73/957204673.db2.gz HLXXKSISDOXXGF-PRJMDXOYSA-N 0 1 213.218 2.475 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1(C)CCCCC1 ZINC001208897839 957216163 /nfs/dbraw/zinc/21/61/63/957216163.db2.gz GOBJOYVCDXMZQI-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cc(F)cnc1N1C[C@@H](C)N(C)C[C@H]1C ZINC001164636551 719169798 /nfs/dbraw/zinc/16/97/98/719169798.db2.gz MOJFLKKCDHHPOE-GHMZBOCLSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1cncnc1N1C[C@H](C)N(C)C[C@@H]1C ZINC001164635951 719198532 /nfs/dbraw/zinc/19/85/32/719198532.db2.gz MCQFUMOWZTWIIW-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1c(F)ccnc1N1C[C@H](C)N(C)C[C@@H]1C ZINC001164639686 719212287 /nfs/dbraw/zinc/21/22/87/719212287.db2.gz QWOXQSTVNOVKPS-UWVGGRQHSA-N 0 1 237.322 2.058 20 0 BEADMN CCOc1cccnc1N1C[C@H](C)N(C)C[C@@H]1C ZINC001164633224 719248511 /nfs/dbraw/zinc/24/85/11/719248511.db2.gz KHTVBXPKUBPDOA-RYUDHWBXSA-N 0 1 249.358 2.009 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)Cc1ccccc1 ZINC000082604354 957797803 /nfs/dbraw/zinc/79/78/03/957797803.db2.gz HYRSVVYILKKXNE-DHZHZOJOSA-N 0 1 219.284 2.149 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@H](C)C(C)(C)C ZINC000082604742 957798022 /nfs/dbraw/zinc/79/80/22/957798022.db2.gz LWGQPLVCGIGDSH-TTZKWOQHSA-N 0 1 213.321 2.384 20 0 BEADMN Cc1ccsc1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000083409849 957825341 /nfs/dbraw/zinc/82/53/41/957825341.db2.gz RHPUCYWIICJLDB-NXEZZACHSA-N 0 1 239.340 2.209 20 0 BEADMN CC[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854793 957835781 /nfs/dbraw/zinc/83/57/81/957835781.db2.gz FYBOBIRTUNDDSW-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccs1 ZINC000086269873 957964513 /nfs/dbraw/zinc/96/45/13/957964513.db2.gz NJNIMDMQGRRTRT-PSASIEDQSA-N 0 1 225.313 2.043 20 0 BEADMN CCOC1CCC(N2CCC(=O)[C@H](C)C2)CC1 ZINC000707469873 958542923 /nfs/dbraw/zinc/54/29/23/958542923.db2.gz OWXIWGJDSCERAR-PNESKVBLSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC[C@@H](C)C2)n1 ZINC000707915453 958812971 /nfs/dbraw/zinc/81/29/71/958812971.db2.gz ILLIOZCNHQEUHG-ZYHUDNBSSA-N 0 1 219.332 2.453 20 0 BEADMN Cc1ccnc(CN[C@H]2CC[C@H](C)C2)n1 ZINC000707943775 958858440 /nfs/dbraw/zinc/85/84/40/958858440.db2.gz AAUQBQYXDSPKRO-ONGXEEELSA-N 0 1 205.305 2.063 20 0 BEADMN C[C@H]1C[C@@H](CO)CN(CC=C(Cl)Cl)C1 ZINC000403788382 958861322 /nfs/dbraw/zinc/86/13/22/958861322.db2.gz ZVWOACPBTXNWMB-DTWKUNHWSA-N 0 1 238.158 2.256 20 0 BEADMN C[C@H](C[C@H]1CCOC1)N[C@@H](C)C(F)F ZINC000689790546 960371975 /nfs/dbraw/zinc/37/19/75/960371975.db2.gz DVEGGGUOYUYPSG-HRDYMLBCSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1ccc(C)c(NC(C)(C)CCO)n1 ZINC001167741388 960393355 /nfs/dbraw/zinc/39/33/55/960393355.db2.gz SGFJOKONJHPENZ-UHFFFAOYSA-N 0 1 208.305 2.271 20 0 BEADMN CCN(C)Cc1cc(Br)ccn1 ZINC001140760443 960558408 /nfs/dbraw/zinc/55/84/08/960558408.db2.gz DXIIOFDRRLDUPC-UHFFFAOYSA-N 0 1 229.121 2.296 20 0 BEADMN CN(CCc1ccccc1)Cc1cnco1 ZINC001140927317 960695271 /nfs/dbraw/zinc/69/52/71/960695271.db2.gz MXWPGQKKYWSPJC-UHFFFAOYSA-N 0 1 216.284 2.349 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CC2(F)F)no1 ZINC000689116602 961627166 /nfs/dbraw/zinc/62/71/66/961627166.db2.gz UJBPTCRDSQHBPF-SECBINFHSA-N 0 1 216.231 2.118 20 0 BEADMN CCCNc1nc(C)cc(N(C)CC)n1 ZINC000087808734 961754224 /nfs/dbraw/zinc/75/42/24/961754224.db2.gz RZDFNIMLCUIMHA-UHFFFAOYSA-N 0 1 208.309 2.063 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167953581 962736720 /nfs/dbraw/zinc/73/67/20/962736720.db2.gz SYXVZOFALGCFCB-GDNZZTSVSA-N 0 1 239.359 2.449 20 0 BEADMN COc1ccnc(NCC(C)(F)F)c1 ZINC001154852013 962870735 /nfs/dbraw/zinc/87/07/35/962870735.db2.gz IOCFXCXJLIKIIX-UHFFFAOYSA-N 0 1 202.204 2.157 20 0 BEADMN COc1cc(NC=CC(C)(C)O)ncc1C ZINC001203216870 963037986 /nfs/dbraw/zinc/03/79/86/963037986.db2.gz SAKGOIQACPINKS-AATRIKPKSA-N 0 1 222.288 2.095 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCO[C@@H](CC)C1 ZINC000304158314 963116624 /nfs/dbraw/zinc/11/66/24/963116624.db2.gz KLLNZINATKAWBM-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cc(C[N@H+](C)C(C)(C)C(=O)[O-])cs1 ZINC000309033383 963321485 /nfs/dbraw/zinc/32/14/85/963321485.db2.gz DDYFVKIXBUGKHR-UHFFFAOYSA-N 0 1 227.329 2.352 20 0 BEADMN CSC[C@@H]1CCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000309344266 963341649 /nfs/dbraw/zinc/34/16/49/963341649.db2.gz LTMJIMAWXCZPOC-IGLBNKAOSA-N 0 1 243.372 2.092 20 0 BEADMN CC(C)(C)CNc1ccnc2[nH]cnc21 ZINC001161642409 964659545 /nfs/dbraw/zinc/65/95/45/964659545.db2.gz XVOZCVIOFOKUKY-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN CC[C@H](C)COC1CCN(CCF)CC1 ZINC001224666026 964857645 /nfs/dbraw/zinc/85/76/45/964857645.db2.gz YXIXJESAIXDJTF-NSHDSACASA-N 0 1 217.328 2.483 20 0 BEADMN CCC(=O)NC1CN(CC2CCCCCC2)C1 ZINC001030039262 965108681 /nfs/dbraw/zinc/10/86/81/965108681.db2.gz DCLWGVRNNPOQSA-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc([S-])cc1 ZINC001205082933 965601975 /nfs/dbraw/zinc/60/19/75/965601975.db2.gz LBQHSPIRSOLTPM-JQWIXIFHSA-N 0 1 236.384 2.287 20 0 BEADMN C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc([S-])cc1 ZINC001205082933 965601987 /nfs/dbraw/zinc/60/19/87/965601987.db2.gz LBQHSPIRSOLTPM-JQWIXIFHSA-N 0 1 236.384 2.287 20 0 BEADMN CCN(C)c1cc(C)nc(N(C)C(C)(C)C)n1 ZINC001166527055 966282722 /nfs/dbraw/zinc/28/27/22/966282722.db2.gz SFDDCYPTHOSORO-UHFFFAOYSA-N 0 1 236.363 2.476 20 0 BEADMN COCC[N@@H+](Cc1ccc(F)c([O-])c1)C(C)C ZINC001236705680 966515649 /nfs/dbraw/zinc/51/56/49/966515649.db2.gz PNURRFLMVQYZBH-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN CC(C)(O)C=CNc1nnccc1C(F)(F)F ZINC001203215985 966525498 /nfs/dbraw/zinc/52/54/98/966525498.db2.gz CCUQJMFHPQHUPS-GQCTYLIASA-N 0 1 247.220 2.192 20 0 BEADMN COCC[N@H+](Cc1ccc(F)c([O-])c1)C(C)C ZINC001236705680 966515638 /nfs/dbraw/zinc/51/56/38/966515638.db2.gz PNURRFLMVQYZBH-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN c1coc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001203272252 966590991 /nfs/dbraw/zinc/59/09/91/966590991.db2.gz DCIDZYPUKKPCHW-YPMHNXCESA-N 0 1 221.300 2.281 20 0 BEADMN NCc1nc2ccc(F)c(F)c2n1C1CC1 ZINC000211420364 1165804339 /nfs/dbraw/zinc/80/43/39/1165804339.db2.gz DHWQBHSUDDOFQJ-UHFFFAOYSA-N 0 1 223.226 2.108 20 0 BEADMN c1nnc(CN[C@H](c2ccccc2)C2CC2)[nH]1 ZINC000041075751 1165808206 /nfs/dbraw/zinc/80/82/06/1165808206.db2.gz GOMAYVCRXOIBAZ-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN C[C@@H]1CCN(Cc2nccs2)CC[C@]1(C)O ZINC001204544542 967040099 /nfs/dbraw/zinc/04/00/99/967040099.db2.gz DJHHZPXNQCBHLF-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN COc1cc(CN2CC[C@@H]2C)ccc1F ZINC001204555453 967052121 /nfs/dbraw/zinc/05/21/21/967052121.db2.gz AOLCVYMVXOOMQF-VIFPVBQESA-N 0 1 209.264 2.429 20 0 BEADMN COc1ccc(C[N@H+]2CC[C@@H](C)C2)nc1C ZINC001249891905 967132042 /nfs/dbraw/zinc/13/20/42/967132042.db2.gz KQWUTRZLEBAGOD-SNVBAGLBSA-N 0 1 220.316 2.240 20 0 BEADMN Fc1cc(F)c(NC2=CCOC2)c(F)c1 ZINC001203389326 1165832935 /nfs/dbraw/zinc/83/29/35/1165832935.db2.gz UOYORZXHAWJCRJ-UHFFFAOYSA-N 0 1 215.174 2.430 20 0 BEADMN Cn1ccnc1CN1CCC[C@](C)(F)CC1 ZINC001205111827 967360170 /nfs/dbraw/zinc/36/01/70/967360170.db2.gz NUZMGIMWDSOZPP-LBPRGKRZSA-N 0 1 225.311 2.134 20 0 BEADMN CCOc1ccnc(NC[C@@H](F)C(C)(C)O)c1 ZINC001162412367 967834321 /nfs/dbraw/zinc/83/43/21/967834321.db2.gz TZZDHWTYMNFLRS-SNVBAGLBSA-N 0 1 242.294 2.001 20 0 BEADMN C[C@H](O)CNCc1cc(F)c(F)cc1Cl ZINC001251970631 968412361 /nfs/dbraw/zinc/41/23/61/968412361.db2.gz YTTPJSHHLFEVBZ-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN CC(C)n1cc(CN[C@@H](C)c2cnn(C)c2)cn1 ZINC000305093730 1165972142 /nfs/dbraw/zinc/97/21/42/1165972142.db2.gz WJLYPYILLMOWAR-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN CC(C)n1cc(CN[C@H](C)c2cnn(C)c2)cn1 ZINC000305093729 1165972685 /nfs/dbraw/zinc/97/26/85/1165972685.db2.gz WJLYPYILLMOWAR-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN COC1CCN(Cc2c(N)cccc2F)CC1 ZINC000109427128 1166013762 /nfs/dbraw/zinc/01/37/62/1166013762.db2.gz MTUWKMGTPFICBF-UHFFFAOYSA-N 0 1 238.306 2.019 20 0 BEADMN Fc1cncc(CN2CCC3(CC3)C2)c1 ZINC001207017942 968555207 /nfs/dbraw/zinc/55/52/07/968555207.db2.gz GHPHIPRPSAUYSU-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN CCCC[C@H](O)CNCc1cccnc1Cl ZINC001252113462 968598319 /nfs/dbraw/zinc/59/83/19/968598319.db2.gz ZJBMVIDIVXRRKA-NSHDSACASA-N 0 1 242.750 2.376 20 0 BEADMN CCCC[C@H](O)CNCc1ncc(C)s1 ZINC001252119011 968601655 /nfs/dbraw/zinc/60/16/55/968601655.db2.gz QGKYEVODMHQDKT-JTQLQIEISA-N 0 1 228.361 2.092 20 0 BEADMN O=S1CC2(CN(CCC3CCCCC3)C2)C1 ZINC001207257608 968694936 /nfs/dbraw/zinc/69/49/36/968694936.db2.gz ZUVJZFGKLACHAR-UHFFFAOYSA-N 0 1 241.400 2.021 20 0 BEADMN CCN(Cc1ccc(F)cc1)CC(OC)OC ZINC001207253760 968698194 /nfs/dbraw/zinc/69/81/94/968698194.db2.gz BVFGYCVMYFSLLF-UHFFFAOYSA-N 0 1 241.306 2.267 20 0 BEADMN CCOC(=O)C[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001207417471 968759131 /nfs/dbraw/zinc/75/91/31/968759131.db2.gz QRRVWLXMJUDJMG-UHFFFAOYSA-N 0 1 243.322 2.154 20 0 BEADMN CCOC(=O)CN1CCCC2(CC(F)C2)CC1 ZINC001207417471 968759138 /nfs/dbraw/zinc/75/91/38/968759138.db2.gz QRRVWLXMJUDJMG-UHFFFAOYSA-N 0 1 243.322 2.154 20 0 BEADMN NCc1ncc(-c2cccc(Cl)c2)cn1 ZINC000084492074 1166191749 /nfs/dbraw/zinc/19/17/49/1166191749.db2.gz AGLPXYKJDLQBFY-UHFFFAOYSA-N 0 1 219.675 2.256 20 0 BEADMN c1nc2c(ccnc2-c2cncs2)[nH]1 ZINC001241495064 969007352 /nfs/dbraw/zinc/00/73/52/969007352.db2.gz OXGPDZFXCNHFLA-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN CC/C=C\CCCN1CCOC[C@@H]1COC ZINC001208137668 969049578 /nfs/dbraw/zinc/04/95/78/969049578.db2.gz IWKCONRMUCMFEH-ZFDPJTLLSA-N 0 1 227.348 2.080 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CCC[C@@H](C)C1 ZINC000224247166 1166220411 /nfs/dbraw/zinc/22/04/11/1166220411.db2.gz WOLJHPONQOJJHP-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CCC[C@@H](C)C1 ZINC000224247084 1166220961 /nfs/dbraw/zinc/22/09/61/1166220961.db2.gz NWKODMCJDIAQLG-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208171852 969103232 /nfs/dbraw/zinc/10/32/32/969103232.db2.gz YACLPQWQBASZCV-QWHCGFSZSA-N 0 1 239.359 2.474 20 0 BEADMN C[C@@H](CCN1CCO[C@@H](CO)C1)CC(C)(C)C ZINC001208652625 969180480 /nfs/dbraw/zinc/18/04/80/969180480.db2.gz CYMSHMOUVBLTLR-QWHCGFSZSA-N 0 1 243.391 2.142 20 0 BEADMN CCCCC[C@@H](O)CNCc1cccnc1F ZINC001253552685 969223003 /nfs/dbraw/zinc/22/30/03/969223003.db2.gz ZLEDGGILSSGOHE-GFCCVEGCSA-N 0 1 240.322 2.252 20 0 BEADMN CCCCC[C@H](O)CN[C@@H](C)c1ccno1 ZINC001253563264 969235075 /nfs/dbraw/zinc/23/50/75/969235075.db2.gz JVUAQARBCRFJBM-QWRGUYRKSA-N 0 1 226.320 2.266 20 0 BEADMN C[C@H](C[N@@H+]1C[C@H](C)N(C)C[C@H]1C)C(F)(F)F ZINC001208895855 969285594 /nfs/dbraw/zinc/28/55/94/969285594.db2.gz NMYVTJUDRRNVOJ-KXUCPTDWSA-N 0 1 238.297 2.209 20 0 BEADMN C[C@H](CN1CC2(CSC2)C1)C(F)(F)F ZINC001208902431 969291441 /nfs/dbraw/zinc/29/14/41/969291441.db2.gz RRKMADPDXRSZPA-SSDOTTSWSA-N 0 1 225.279 2.234 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708248694 1166348944 /nfs/dbraw/zinc/34/89/44/1166348944.db2.gz AYCUAZQSVHVFKT-SRVKXCTJSA-N 0 1 239.359 2.449 20 0 BEADMN CO[C@@H]1CCN(CCc2cc(F)cc(F)c2)C1 ZINC001209127784 969353634 /nfs/dbraw/zinc/35/36/34/969353634.db2.gz GNQBVQNRQFZOMO-CYBMUJFWSA-N 0 1 241.281 2.228 20 0 BEADMN FC(F)C1CN(CCCc2ccncc2)C1 ZINC001209191476 969364461 /nfs/dbraw/zinc/36/44/61/969364461.db2.gz KMLNFPVDKXGURG-UHFFFAOYSA-N 0 1 226.270 2.211 20 0 BEADMN CC(C)[C@@H](O)CNCc1cc(F)cc(F)c1F ZINC001253777952 969399624 /nfs/dbraw/zinc/39/96/24/969399624.db2.gz XZKLLGNRUMHXPN-NSHDSACASA-N 0 1 247.260 2.210 20 0 BEADMN Cc1ccnc(CNCc2nc(C)ccc2O)c1 ZINC000328019277 1166393365 /nfs/dbraw/zinc/39/33/65/1166393365.db2.gz RYMNRZSBEQUWIT-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN Cc1noc([C@H](N[C@@H](C)C2CC2)C(C)C)n1 ZINC000167719411 1166395826 /nfs/dbraw/zinc/39/58/26/1166395826.db2.gz HGHYYUCXHZURJZ-GZMMTYOYSA-N 0 1 223.320 2.463 20 0 BEADMN CCN(Cc1ccoc1)Cc1cc(C)[nH]n1 ZINC001254004928 969447250 /nfs/dbraw/zinc/44/72/50/969447250.db2.gz QRNNYXULYVKOBX-UHFFFAOYSA-N 0 1 219.288 2.333 20 0 BEADMN Cc1ccncc1-c1noc(C2(N)CCCC2)n1 ZINC000167827174 1166418138 /nfs/dbraw/zinc/41/81/38/1166418138.db2.gz RDGUDLHFJVMPDA-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@H]2CCCC[C@H]2C1 ZINC000250662325 1166420977 /nfs/dbraw/zinc/42/09/77/1166420977.db2.gz GDTZMPBWUWXIDK-XQQFMLRXSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252766625 1166425598 /nfs/dbraw/zinc/42/55/98/1166425598.db2.gz HLYGVNOBRHWNOA-QCNOEVLYSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1cc(CN[C@H](CCO)C2CCCC2)no1 ZINC000725068911 1166444343 /nfs/dbraw/zinc/44/43/43/1166444343.db2.gz RQEZZTPMYOQJFT-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1cc(CN[C@@H](CCO)C2CCCC2)no1 ZINC000725068913 1166444539 /nfs/dbraw/zinc/44/45/39/1166444539.db2.gz RQEZZTPMYOQJFT-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN CCc1nocc1CN(C)CC1(OC)CCC1 ZINC000451072690 1166460046 /nfs/dbraw/zinc/46/00/46/1166460046.db2.gz OZPYMRFNRTYVEN-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(F)c1O ZINC001210195217 969828327 /nfs/dbraw/zinc/82/83/27/969828327.db2.gz IORZUBBASPYVEV-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN CCc1nnc(-c2cccc(F)c2O)o1 ZINC001255131934 969948734 /nfs/dbraw/zinc/94/87/34/969948734.db2.gz ICLKUTGVEARRCT-UHFFFAOYSA-N 0 1 208.192 2.144 20 0 BEADMN Cn1cc(Cl)c(CNCCCC2CC2)n1 ZINC000394463217 1166582330 /nfs/dbraw/zinc/58/23/30/1166582330.db2.gz WTRZIEPHAXAFSV-UHFFFAOYSA-N 0 1 227.739 2.353 20 0 BEADMN Cc1cc(Cl)cc(NC[C@H]2COCCN2)c1 ZINC001170044400 970071105 /nfs/dbraw/zinc/07/11/05/970071105.db2.gz KIBGJIMTXHYCDA-LBPRGKRZSA-N 0 1 240.734 2.049 20 0 BEADMN Cc1cnc(NC[C@H](O)C(F)(F)F)c(C)c1 ZINC000394770048 1166616960 /nfs/dbraw/zinc/61/69/60/1166616960.db2.gz ANUZGAMPNSJDIA-QMMMGPOBSA-N 0 1 234.221 2.034 20 0 BEADMN CCCC[C@H](C)N1CCn2nccc2C1 ZINC001255334430 970119160 /nfs/dbraw/zinc/11/91/60/970119160.db2.gz QOLSLUBFHGCLGL-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN CC[C@@H](C)N[C@H]1c2cc(C)ccc2NC1=O ZINC000019882398 1166652627 /nfs/dbraw/zinc/65/26/27/1166652627.db2.gz QLQCYPINHQZFQA-SKDRFNHKSA-N 0 1 218.300 2.376 20 0 BEADMN COC(=O)c1cc(CNC/C=C\C2CC2)oc1C ZINC000379181582 1166671099 /nfs/dbraw/zinc/67/10/99/1166671099.db2.gz PKKDWCZSYWPJSX-ARJAWSKDSA-N 0 1 249.310 2.430 20 0 BEADMN Cc1ccc(CN2CCCO[C@H](C)C2)cn1 ZINC000336450982 1166735031 /nfs/dbraw/zinc/73/50/31/1166735031.db2.gz HJSVOYHRBVMMBE-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC[C@H](C)C(=O)NC1CN(CC2CCCC2)C1 ZINC001732093958 1166779954 /nfs/dbraw/zinc/77/99/54/1166779954.db2.gz JXDDIHFVXHFHQD-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN COCCNCc1ccc(OC)cc1Cl ZINC000380209353 1166844779 /nfs/dbraw/zinc/84/47/79/1166844779.db2.gz YAMZMAINEAGWOI-UHFFFAOYSA-N 0 1 229.707 2.085 20 0 BEADMN C[C@H](Nc1ccnc(N)n1)C1CCCC1 ZINC000087830957 1166869021 /nfs/dbraw/zinc/86/90/21/1166869021.db2.gz KSXQKQZWNTZXPJ-QMMMGPOBSA-N 0 1 206.293 2.049 20 0 BEADMN CCCCCCC(=O)Nc1nnc(CC)[nH]1 ZINC000182247878 970692850 /nfs/dbraw/zinc/69/28/50/970692850.db2.gz AIZJPPNVGVNQIZ-UHFFFAOYSA-N 0 1 224.308 2.276 20 0 BEADMN CCCCCCC(=O)Nc1nc(CC)n[nH]1 ZINC000182247878 970692857 /nfs/dbraw/zinc/69/28/57/970692857.db2.gz AIZJPPNVGVNQIZ-UHFFFAOYSA-N 0 1 224.308 2.276 20 0 BEADMN COc1cc(C)ccc1-c1ncc2c(n1)CNC2 ZINC000234893246 1166913126 /nfs/dbraw/zinc/91/31/26/1166913126.db2.gz GDAOSFZCPRQFTH-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CN(Cc1ccc(Cl)nc1)[C@H]1CCCOC1 ZINC000401492515 970698034 /nfs/dbraw/zinc/69/80/34/970698034.db2.gz SKLDLOQOHBMMKW-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN CCN1CC[C@@H](Oc2cccnc2Cl)C1 ZINC001225585892 1166988438 /nfs/dbraw/zinc/98/84/38/1166988438.db2.gz BUTNOUMWEVOSCQ-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN F[C@H]1CCCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173140105 975046733 /nfs/dbraw/zinc/04/67/33/975046733.db2.gz WNJFJJFWGWYRHG-VHSXEESVSA-N 0 1 240.347 2.434 20 0 BEADMN CCSC[C@@H](C)NCc1cn(CCF)cn1 ZINC001173296705 975181876 /nfs/dbraw/zinc/18/18/76/975181876.db2.gz VPEMGAFQFIVRNE-SNVBAGLBSA-N 0 1 245.367 2.084 20 0 BEADMN CCSC[C@@H](C)N1CCCC[C@H]1C(=O)OC ZINC001173301594 975198492 /nfs/dbraw/zinc/19/84/92/975198492.db2.gz XAOUTMWFRZCNNE-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN CCSC[C@H](C)N(C)Cc1cc(C)nn1C ZINC001173305311 975209463 /nfs/dbraw/zinc/20/94/63/975209463.db2.gz MHZGEAGBTZYJCQ-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN COc1ccccc1CN1CC2(CSC2)C1 ZINC001203438550 1167156760 /nfs/dbraw/zinc/15/67/60/1167156760.db2.gz JVFVMFPNZKYZKM-UHFFFAOYSA-N 0 1 235.352 2.244 20 0 BEADMN CN1CCC[C@H](Oc2cc(Cl)sn2)C1 ZINC001227377484 975378317 /nfs/dbraw/zinc/37/83/17/975378317.db2.gz GPEJYRNISREKPW-ZETCQYMHSA-N 0 1 232.736 2.270 20 0 BEADMN CN1CCC[C@@H](Oc2cc(Cl)sn2)C1 ZINC001227377483 975378723 /nfs/dbraw/zinc/37/87/23/975378723.db2.gz GPEJYRNISREKPW-SSDOTTSWSA-N 0 1 232.736 2.270 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599060 975568840 /nfs/dbraw/zinc/56/88/40/975568840.db2.gz PEQYHZMWQZMIGQ-SVRRBLITSA-N 0 1 227.333 2.282 20 0 BEADMN Cc1cc(Cl)cnc1NCc1cnc[nH]1 ZINC000309190270 1167262807 /nfs/dbraw/zinc/26/28/07/1167262807.db2.gz PNQUYNXQCCEZEC-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CCC(CC)NCc1nc(C2CC2)no1 ZINC000309248385 1167272818 /nfs/dbraw/zinc/27/28/18/1167272818.db2.gz ZRBIPEKLOQALCJ-UHFFFAOYSA-N 0 1 209.293 2.225 20 0 BEADMN Nc1ncnc(Cl)c1NC1=CCCC1 ZINC001173997113 976136695 /nfs/dbraw/zinc/13/66/95/976136695.db2.gz RFCAGVFMRJNFPQ-UHFFFAOYSA-N 0 1 210.668 2.192 20 0 BEADMN Cc1ccc2nc(CCCCO)[nH]c2c1C ZINC000309319723 1167289800 /nfs/dbraw/zinc/28/98/00/1167289800.db2.gz PWQHZNUQHZMIRF-UHFFFAOYSA-N 0 1 218.300 2.495 20 0 BEADMN O=C(NCCCC(F)F)c1ccc(F)cc1O ZINC001333915513 976159686 /nfs/dbraw/zinc/15/96/86/976159686.db2.gz VMVZTPAXVTZORJ-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN CC(C)(CF)NCc1n[nH]c2ccccc12 ZINC000309421173 1167303374 /nfs/dbraw/zinc/30/33/74/1167303374.db2.gz ZSDUJGSUVKGVCI-UHFFFAOYSA-N 0 1 221.279 2.401 20 0 BEADMN CC(C)(CF)NCc1[nH]nc2ccccc21 ZINC000309421173 1167303380 /nfs/dbraw/zinc/30/33/80/1167303380.db2.gz ZSDUJGSUVKGVCI-UHFFFAOYSA-N 0 1 221.279 2.401 20 0 BEADMN O=c1nc(OC2CC(F)(F)C2)c(Cl)c[nH]1 ZINC001228479802 976243222 /nfs/dbraw/zinc/24/32/22/976243222.db2.gz HBVSRCQEUXKGJO-UHFFFAOYSA-N 0 1 236.605 2.012 20 0 BEADMN CC1(C)CCC[C@H]1NCc1nncs1 ZINC001334162193 976341458 /nfs/dbraw/zinc/34/14/58/976341458.db2.gz SGTNIWZTGDCERI-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN CN1CCC[C@H](Oc2ccnc(Cl)c2F)C1 ZINC001228577230 976343258 /nfs/dbraw/zinc/34/32/58/976343258.db2.gz LUHPBWHLGGVNAK-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN CCC[C@H](O)CNCc1cc(F)c(F)cc1F ZINC000225278738 1167362868 /nfs/dbraw/zinc/36/28/68/1167362868.db2.gz BVNQCNYLOXXDAU-VIFPVBQESA-N 0 1 247.260 2.355 20 0 BEADMN CC(C)C=Nc1nc(Cl)ccc1C(N)=O ZINC001174554120 976853813 /nfs/dbraw/zinc/85/38/13/976853813.db2.gz HORDIAAONOYSQE-UHFFFAOYSA-N 0 1 225.679 2.170 20 0 BEADMN O=c1[nH]cnc(OC2CCSCC2)c1Cl ZINC001230015075 977064489 /nfs/dbraw/zinc/06/44/89/977064489.db2.gz UEJLKFSMUNMVLR-UHFFFAOYSA-N 0 1 246.719 2.110 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H]2CCC[C@@H](C)C2)n1 ZINC001230279966 977162022 /nfs/dbraw/zinc/16/20/22/977162022.db2.gz KQDWJYRSHGMOQH-RKDXNWHRSA-N 0 1 238.287 2.154 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2cnccc2N)C[C@H]1C ZINC000251938176 1167464743 /nfs/dbraw/zinc/46/47/43/1167464743.db2.gz VVPWAOSIFRBCHC-MXWKQRLJSA-N 0 1 247.342 2.218 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438299 1167472614 /nfs/dbraw/zinc/47/26/14/1167472614.db2.gz HLFJPTJMCQIITH-HTQZYQBOSA-N 0 1 234.303 2.475 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(CCC(C)C)CC1 ZINC001687424782 1167490082 /nfs/dbraw/zinc/49/00/82/1167490082.db2.gz JOSSTDIPJFAVSE-ACAGNQJTSA-N 0 1 238.375 2.143 20 0 BEADMN Cc1c(F)ccc(CN2CC[C@H](CO)C2)c1F ZINC001231477246 977604599 /nfs/dbraw/zinc/60/45/99/977604599.db2.gz HDOGEWSSMMAUBJ-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN OC[C@H]1CCCN1Cc1ccc(Cl)c(O)c1 ZINC001231732385 977718817 /nfs/dbraw/zinc/71/88/17/977718817.db2.gz ZDDJHLYUKVKOEQ-SNVBAGLBSA-N 0 1 241.718 2.002 20 0 BEADMN CCn1cc(CN2CCCC[C@@H]2C2CCC2)nn1 ZINC000899879363 1167568670 /nfs/dbraw/zinc/56/86/70/1167568670.db2.gz FBTCDBOCQYIBJA-CQSZACIVSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@]1(CF)CCN(Cc2ccns2)C1 ZINC001232188750 977912108 /nfs/dbraw/zinc/91/21/08/977912108.db2.gz LHGQDOIKAJAYJF-JTQLQIEISA-N 0 1 214.309 2.325 20 0 BEADMN Cc1scnc1CN1C[C@@H](CO)CC[C@@H]1C ZINC001232204534 977928595 /nfs/dbraw/zinc/92/85/95/977928595.db2.gz PNPIIYDDSNCVAL-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@]1(CF)CCN(Cc2cnsc2)C1 ZINC001232224414 977952243 /nfs/dbraw/zinc/95/22/43/977952243.db2.gz KLKRDMLLAULBJK-JTQLQIEISA-N 0 1 214.309 2.325 20 0 BEADMN Cc1ncc(CN2CCC[C@](C)(F)C2)[nH]1 ZINC001232460431 978093842 /nfs/dbraw/zinc/09/38/42/978093842.db2.gz QHYSOGLXACAHCV-NSHDSACASA-N 0 1 211.284 2.042 20 0 BEADMN CCc1csc(CN(C)C2CCOCC2)n1 ZINC001232471013 978117350 /nfs/dbraw/zinc/11/73/50/978117350.db2.gz ZPNSXBZOUHYKJT-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN COCCN(Cc1cc(F)ccn1)C(C)C ZINC001232494548 978147162 /nfs/dbraw/zinc/14/71/62/978147162.db2.gz URFVDMICOKEGFN-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN Cc1c(CN2CCC[C@H]2CO)ccnc1Cl ZINC001232750422 978261195 /nfs/dbraw/zinc/26/11/95/978261195.db2.gz URKHXXNVKOOHOB-NSHDSACASA-N 0 1 240.734 2.000 20 0 BEADMN Cc1cc(CN2CC[C@@](C)(O)C2)c(F)cc1F ZINC001232783620 978276074 /nfs/dbraw/zinc/27/60/74/978276074.db2.gz BDXDTWCKSXLXMN-CYBMUJFWSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1nnc(SCCOCCC(C)C)[nH]1 ZINC001337565682 978408359 /nfs/dbraw/zinc/40/83/59/978408359.db2.gz ZYQXESYBAZFCRT-UHFFFAOYSA-N 0 1 229.349 2.268 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cnc(C)cc2C)C1 ZINC001233012449 978412632 /nfs/dbraw/zinc/41/26/32/978412632.db2.gz MYXXLQZRZOWUJY-LBPRGKRZSA-N 0 1 234.343 2.165 20 0 BEADMN Oc1cnc(Cl)cc1CN1CC2(CCC2)C1 ZINC001233033038 978419397 /nfs/dbraw/zinc/41/93/97/978419397.db2.gz YCAFHYJFJXVBQO-UHFFFAOYSA-N 0 1 238.718 2.427 20 0 BEADMN CCCN(CCOC)Cc1cccc(O)c1F ZINC001233050734 978441504 /nfs/dbraw/zinc/44/15/04/978441504.db2.gz UAUFVNXCRJPBJE-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN CC(=O)c1ccc(CN2CCCOCC2)cc1 ZINC000334652021 1167797111 /nfs/dbraw/zinc/79/71/11/1167797111.db2.gz AVKNMJUSCHAEQJ-UHFFFAOYSA-N 0 1 233.311 2.112 20 0 BEADMN O=S(=O)(Nc1ccoc1)c1ccccc1 ZINC000168692965 1167826725 /nfs/dbraw/zinc/82/67/25/1167826725.db2.gz FUUOEORAZTUGKH-UHFFFAOYSA-N 0 1 223.253 2.080 20 0 BEADMN CSCCN(C)Cc1cc(C)ns1 ZINC001233313371 978541000 /nfs/dbraw/zinc/54/10/00/978541000.db2.gz SSRNLGZGZORDJG-UHFFFAOYSA-N 0 1 216.375 2.246 20 0 BEADMN C[N@H+](Cc1cncc(Cl)n1)CC1CCC1 ZINC001233449704 978607145 /nfs/dbraw/zinc/60/71/45/978607145.db2.gz OBASYZRMAFTHEO-UHFFFAOYSA-N 0 1 225.723 2.362 20 0 BEADMN CC(C)c1nc(NC(=O)C=C2CCCC2)n[nH]1 ZINC001338538515 978705468 /nfs/dbraw/zinc/70/54/68/978705468.db2.gz NKVPBOVIWCLJPU-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC001600601350 978706246 /nfs/dbraw/zinc/70/62/46/978706246.db2.gz DGKYKEJFZGIXKN-UWVGGRQHSA-N 0 1 220.272 2.055 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc(Cl)n1 ZINC001604167364 979588419 /nfs/dbraw/zinc/58/84/19/979588419.db2.gz KZCPSLWKWSWFGC-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CC1(C)C[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1(C)C ZINC001604545320 979674497 /nfs/dbraw/zinc/67/44/97/979674497.db2.gz YZRXILHUAINEIK-JGVFFNPUSA-N 0 1 247.285 2.073 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001605313813 979853127 /nfs/dbraw/zinc/85/31/27/979853127.db2.gz MTWQIXHIBKEICN-VHSXEESVSA-N 0 1 247.285 2.074 20 0 BEADMN CCOC(=O)c1ccc(CNCCC(F)F)o1 ZINC001184314178 980001266 /nfs/dbraw/zinc/00/12/66/980001266.db2.gz HEZBMZJFGNLGDV-UHFFFAOYSA-N 0 1 247.241 2.201 20 0 BEADMN COc1ccoc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237876032 980109331 /nfs/dbraw/zinc/10/93/31/980109331.db2.gz LIPGQBFOKZYUEM-ZJUUUORDSA-N 0 1 207.273 2.273 20 0 BEADMN CC[C@H](C)CCC(=O)Nc1cc(N(C)C)[nH]n1 ZINC001185564286 980248027 /nfs/dbraw/zinc/24/80/27/980248027.db2.gz UYZPKKPBWVWCIX-VIFPVBQESA-N 0 1 238.335 2.241 20 0 BEADMN CC[C@@H](C)CCC(=O)Nc1cccnc1CN ZINC001185581106 980256900 /nfs/dbraw/zinc/25/69/00/980256900.db2.gz BPWZZIYRNXDWPZ-SNVBAGLBSA-N 0 1 235.331 2.305 20 0 BEADMN CCO[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000379410103 1168460673 /nfs/dbraw/zinc/46/06/73/1168460673.db2.gz FLXFXKVULHOPFR-AYYIZTPMSA-N 0 1 203.713 2.240 20 0 BEADMN CCCC[C@H](CC)COC(=O)N1CCNCC1 ZINC001239327104 980534706 /nfs/dbraw/zinc/53/47/06/980534706.db2.gz OZLBKWMURLXNCC-LBPRGKRZSA-N 0 1 242.363 2.245 20 0 BEADMN CCCCCCOC(=O)N1CCNC[C@@H]1CC ZINC001239333914 980541191 /nfs/dbraw/zinc/54/11/91/980541191.db2.gz JFIURHFMPGPCRF-LBPRGKRZSA-N 0 1 242.363 2.387 20 0 BEADMN CCCCCCOC(=O)N1CCNC[C@H]1CC ZINC001239333913 980541261 /nfs/dbraw/zinc/54/12/61/980541261.db2.gz JFIURHFMPGPCRF-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN Fc1nc2nc[nH]c2c(-c2ccsc2)n1 ZINC001239508384 980675963 /nfs/dbraw/zinc/67/59/63/980675963.db2.gz ZNIQXNIMXQJWJI-UHFFFAOYSA-N 0 1 220.232 2.172 20 0 BEADMN CCCCOC1CN([C@@H]2CCO[C@@H](CC)C2)C1 ZINC001170222608 1168526961 /nfs/dbraw/zinc/52/69/61/1168526961.db2.gz ODNYCRQDZGZKGJ-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1ncsc1CCCSc1cn[nH]n1 ZINC001188854022 980715203 /nfs/dbraw/zinc/71/52/03/980715203.db2.gz OOIRSEAHVPMZRH-UHFFFAOYSA-N 0 1 240.357 2.295 20 0 BEADMN CCc1nc(C)c(CN2CCC(F)CC2)[nH]1 ZINC001203234207 980780160 /nfs/dbraw/zinc/78/01/60/980780160.db2.gz KQSCOMWWHMYCPM-UHFFFAOYSA-N 0 1 225.311 2.214 20 0 BEADMN CN1CCN(c2cccc(CC(F)F)c2)CC1 ZINC001250392272 980907910 /nfs/dbraw/zinc/90/79/10/980907910.db2.gz PGYTZKJKJILWSD-UHFFFAOYSA-N 0 1 240.297 2.246 20 0 BEADMN CCN(Cc1csnc1OC)CC1CC1 ZINC001190935496 980944874 /nfs/dbraw/zinc/94/48/74/980944874.db2.gz RODOPANUCGISLB-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN CN1CCN(Cc2cc3cccc(F)c3[nH]2)CC1 ZINC000257954510 1168597621 /nfs/dbraw/zinc/59/76/21/1168597621.db2.gz XJNYOXHMZIXTTM-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN C[C@@H](O)[C@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001193345467 981294980 /nfs/dbraw/zinc/29/49/80/981294980.db2.gz CFYZLWNBQNNQEW-VHSXEESVSA-N 0 1 239.746 2.467 20 0 BEADMN OCc1cccc(NC2=CCCCC2)n1 ZINC001175751513 1168697448 /nfs/dbraw/zinc/69/74/48/1168697448.db2.gz AFAYRCVDOPZYLW-UHFFFAOYSA-N 0 1 204.273 2.444 20 0 BEADMN O=C1CCCc2nc(Nc3cnoc3)sc21 ZINC001203231775 1168752395 /nfs/dbraw/zinc/75/23/95/1168752395.db2.gz MHEMJFPNNYJFMD-UHFFFAOYSA-N 0 1 235.268 2.394 20 0 BEADMN Cc1[nH]nc(CNc2cncc(Cl)n2)c1C ZINC000716767895 982146748 /nfs/dbraw/zinc/14/67/48/982146748.db2.gz DYCFIDWDSVUFTM-UHFFFAOYSA-N 0 1 237.694 2.082 20 0 BEADMN C[C@@H]1CCN(Cc2ccccc2)CCC1=O ZINC001203302042 982334412 /nfs/dbraw/zinc/33/44/12/982334412.db2.gz DROKDZZKYVFXQQ-GFCCVEGCSA-N 0 1 217.312 2.488 20 0 BEADMN Cc1ccnc(F)c1C1=CCN(C)CC1 ZINC001241323126 982484448 /nfs/dbraw/zinc/48/44/48/982484448.db2.gz ZOEDOFZTRXZSAO-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1cc(C2=CCN(C)CC2)c(F)cn1 ZINC001241327956 982487359 /nfs/dbraw/zinc/48/73/59/982487359.db2.gz UQNCZOFHBDMCKI-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCc1nnc(SCCN2CCCC2)s1 ZINC000849972738 1168857828 /nfs/dbraw/zinc/85/78/28/1168857828.db2.gz XVBYVZKDJQURNF-UHFFFAOYSA-N 0 1 243.401 2.288 20 0 BEADMN Cc1c(F)ccnc1C1=CCCN(C)C1 ZINC001241567122 982812918 /nfs/dbraw/zinc/81/29/18/982812918.db2.gz LVRQFVQEICKNRG-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)[O-] ZINC001589586197 982841685 /nfs/dbraw/zinc/84/16/85/982841685.db2.gz OZRLVMSGOHMBSZ-LBPRGKRZSA-N 0 1 237.299 2.163 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)OC(C)(C)C)C1 ZINC001201499260 983269096 /nfs/dbraw/zinc/26/90/96/983269096.db2.gz IKACFZZWUJJRQK-JTQLQIEISA-N 0 1 242.363 2.241 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)NC[C@H]1C ZINC001201568703 983338172 /nfs/dbraw/zinc/33/81/72/983338172.db2.gz WJNFXZPWZZGWIM-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCCC[C@H](CC)CN1CCO[C@H](C(C)=O)C1 ZINC001201572381 983336257 /nfs/dbraw/zinc/33/62/57/983336257.db2.gz JLCJAGPNHVHDRV-KBPBESRZSA-N 0 1 241.375 2.493 20 0 BEADMN Cc1nccnc1-c1ccc(F)cc1O ZINC001242217275 983414635 /nfs/dbraw/zinc/41/46/35/983414635.db2.gz WFQSJLIEUATDPZ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN CCCCCC[C@@H](C)N1CCN(C)C(=O)C1 ZINC001257362889 1169079566 /nfs/dbraw/zinc/07/95/66/1169079566.db2.gz HJVMMXCDHCAHGA-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CC(C)OC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000043447061 1169087824 /nfs/dbraw/zinc/08/78/24/1169087824.db2.gz ZMGKRRBXVVFDHO-NEPJUHHUSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CN(CC(=O)OC(C)C)C(C)C ZINC000043447059 1169088260 /nfs/dbraw/zinc/08/82/60/1169088260.db2.gz YQSRMRHWHAEBRT-UHFFFAOYSA-N 0 1 215.337 2.304 20 0 BEADMN CCN1CC[C@@H]1C(=O)N(C)Cc1cccc(C)c1 ZINC001629723777 1169092471 /nfs/dbraw/zinc/09/24/71/1169092471.db2.gz XQSXHVWVJNMXRY-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN CCCONC(=O)c1ccc(O)c(Cl)c1 ZINC000686770124 1169112831 /nfs/dbraw/zinc/11/28/31/1169112831.db2.gz CLFTVOJHKXXHDJ-UHFFFAOYSA-N 0 1 229.663 2.117 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001488650170 983689189 /nfs/dbraw/zinc/68/91/89/983689189.db2.gz DWJOLICJMMXUCZ-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc2[nH]c(NCC(C)(C)O)nc2c1 ZINC001252346102 983741556 /nfs/dbraw/zinc/74/15/56/983741556.db2.gz RMLOBONVGAYPIV-UHFFFAOYSA-N 0 1 219.288 2.054 20 0 BEADMN CC(C)[C@@H](C)ON=C(N)CN1CCCC[C@@H]1C ZINC000853666294 983768135 /nfs/dbraw/zinc/76/81/35/983768135.db2.gz KPAVCVMRZKJCTI-NWDGAFQWSA-N 0 1 241.379 2.404 20 0 BEADMN CCC[C@@H](O)CN1CCCC(F)(F)[C@H](F)C1 ZINC001252778389 983881605 /nfs/dbraw/zinc/88/16/05/983881605.db2.gz KEUGZWPTOJHPHT-NXEZZACHSA-N 0 1 239.281 2.217 20 0 BEADMN C1CC12C[C@H]2c1nc([C@H]2CN3CCC2CC3)no1 ZINC000351340889 1169207649 /nfs/dbraw/zinc/20/76/49/1169207649.db2.gz VHRMHDAFXRMWNJ-QWRGUYRKSA-N 0 1 245.326 2.146 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000308909063 950659932 /nfs/dbraw/zinc/65/99/32/950659932.db2.gz FVTPWSUSJUCVQT-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(CN[C@H](C)CCOC(C)C)no1 ZINC001172432532 974716472 /nfs/dbraw/zinc/71/64/72/974716472.db2.gz ZSYJBUAPTFZKDR-SNVBAGLBSA-N 0 1 226.320 2.276 20 0 BEADMN CN1CC[C@H](Oc2cccc(F)c2F)C1 ZINC001225922048 974730616 /nfs/dbraw/zinc/73/06/16/974730616.db2.gz CIKLLHMLRJQNBB-QMMMGPOBSA-N 0 1 213.227 2.048 20 0 BEADMN Cc1ccc(O[C@@H]2CCN(C)C2)c(F)c1F ZINC001225943358 974740650 /nfs/dbraw/zinc/74/06/50/974740650.db2.gz WAPHCQWIOFNXIJ-SECBINFHSA-N 0 1 227.254 2.356 20 0 BEADMN O=c1cc(C(F)(F)F)nc(O[C@@H]2C=CCC2)[nH]1 ZINC001225978529 974749859 /nfs/dbraw/zinc/74/98/59/974749859.db2.gz TXMSYKFAVICSAN-ZCFIWIBFSA-N 0 1 246.188 2.298 20 0 BEADMN Cc1nonc1CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000782105814 1169292618 /nfs/dbraw/zinc/29/26/18/1169292618.db2.gz DWDRYYHPMTXPSJ-MFKMUULPSA-N 0 1 235.331 2.390 20 0 BEADMN CCOC1CN([C@@H](C)CCOCC(C)C)C1 ZINC001172474091 974770457 /nfs/dbraw/zinc/77/04/57/974770457.db2.gz ODXFTMRCMPFJAX-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172444647 974806278 /nfs/dbraw/zinc/80/62/78/974806278.db2.gz UBXIBLSONMJZBF-VXGBXAGGSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCOCC12CC2 ZINC001172457122 974820968 /nfs/dbraw/zinc/82/09/68/974820968.db2.gz ROWMOEZVMSCJSB-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)c(C)o1 ZINC001327589943 972657218 /nfs/dbraw/zinc/65/72/18/972657218.db2.gz IVWYXSRTGUQDJD-ZDUSSCGKSA-N 0 1 221.300 2.261 20 0 BEADMN Cc1cc(CN2CC3(CC(O)C3)C2)c(C)s1 ZINC001138567384 1169362002 /nfs/dbraw/zinc/36/20/02/1169362002.db2.gz FFXVPCAJDBLPNI-UHFFFAOYSA-N 0 1 237.368 2.322 20 0 BEADMN CC[C@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223028021 972808703 /nfs/dbraw/zinc/80/87/03/972808703.db2.gz VCAYSTMJTZVHHJ-JTQLQIEISA-N 0 1 224.308 2.075 20 0 BEADMN CCC[C@H](C)[C@@H](OCc1nn[nH]n1)C(C)C ZINC001223027656 972809644 /nfs/dbraw/zinc/80/96/44/972809644.db2.gz REQDACLOSYKURA-ONGXEEELSA-N 0 1 226.324 2.177 20 0 BEADMN Cc1cc(CN2CCSC[C@@H]2C2CC2)n[nH]1 ZINC001327951009 972824676 /nfs/dbraw/zinc/82/46/76/972824676.db2.gz AZLWBNIGCWTVDA-GFCCVEGCSA-N 0 1 237.372 2.046 20 0 BEADMN Cc1ncsc1CSCc1nnc[nH]1 ZINC001328040896 972858405 /nfs/dbraw/zinc/85/84/05/972858405.db2.gz YBGWOWLTRZBGCR-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664261 972926310 /nfs/dbraw/zinc/92/63/10/972926310.db2.gz CDBCWJASGSWQNI-MRVPVSSYSA-N 0 1 225.313 2.431 20 0 BEADMN CCCN(CC(=O)OCC(C)C)C(C)C ZINC000847029988 973065097 /nfs/dbraw/zinc/06/50/97/973065097.db2.gz ZFKUFZQDWRMIBX-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)(C)N1CCN(C(=O)CCC2CC2)CC1 ZINC001328459428 973074009 /nfs/dbraw/zinc/07/40/09/973074009.db2.gz ZVYIVXMMCQCERI-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cccc2nc(C(=O)Nc3cnoc3)[nH]c21 ZINC001151982720 1169413018 /nfs/dbraw/zinc/41/30/18/1169413018.db2.gz ICLBGQXPAWRHRP-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Fc1cc(Nc2cncnc2)cc2[nH]ncc21 ZINC001215552021 970781294 /nfs/dbraw/zinc/78/12/94/970781294.db2.gz FESYKCGZSNQKTJ-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN COCc1cc(C)c(Nc2nonc2N)c(C)c1 ZINC001215528674 970781577 /nfs/dbraw/zinc/78/15/77/970781577.db2.gz DYAYNNIRYHIEET-UHFFFAOYSA-N 0 1 248.286 2.159 20 0 BEADMN Fc1cc(Nc2ncco2)cc2[nH]ncc21 ZINC001215553449 970786879 /nfs/dbraw/zinc/78/68/79/970786879.db2.gz WUJRMTPFAHQLAO-UHFFFAOYSA-N 0 1 218.191 2.434 20 0 BEADMN Fc1cc(Nc2cnoc2)cc2[nH]ncc21 ZINC001215553215 970790156 /nfs/dbraw/zinc/79/01/56/970790156.db2.gz PIQIXPFHGWVOJT-UHFFFAOYSA-N 0 1 218.191 2.434 20 0 BEADMN CCCOc1ccc(C)c(Nc2nonc2N)c1 ZINC001215586882 970799373 /nfs/dbraw/zinc/79/93/73/970799373.db2.gz SEWDFACRDXGPMJ-UHFFFAOYSA-N 0 1 248.286 2.493 20 0 BEADMN COc1c(F)c(C)ccc1Nc1nnco1 ZINC001215600397 970799508 /nfs/dbraw/zinc/79/95/08/970799508.db2.gz YZVLOWBBEFJUTA-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN [O-]c1cc(-c2ncc3c(n2)C[NH2+]C3)ccc1Cl ZINC001243576625 970816276 /nfs/dbraw/zinc/81/62/76/970816276.db2.gz QMHLGCINYKTGJG-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CC(C)Cc1nnc(-c2[nH]nc3ncccc32)o1 ZINC001256412436 970819874 /nfs/dbraw/zinc/81/98/74/970819874.db2.gz JPKNRABYWPAAKJ-UHFFFAOYSA-N 0 1 243.270 2.206 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCC[C@@H](F)C1 ZINC001256414875 970821626 /nfs/dbraw/zinc/82/16/26/970821626.db2.gz ININRQNLXZKCMU-NWDGAFQWSA-N 0 1 222.307 2.447 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001256414359 970821733 /nfs/dbraw/zinc/82/17/33/970821733.db2.gz LRTADPUOPUASGY-AUZPSNTRSA-N 0 1 234.318 2.302 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@H](C)Cc1ccccn1)C2 ZINC001256420517 970826757 /nfs/dbraw/zinc/82/67/57/970826757.db2.gz BXBPUNVLYRPFCQ-SNPRPXQTSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H](C)OC[C@@H]1C ZINC001256425385 970830900 /nfs/dbraw/zinc/83/09/00/970830900.db2.gz YVJHSOXLTNNYJH-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)Cc1nnc([C@H]2CCc3[nH]cnc3C2)o1 ZINC001256431677 970834339 /nfs/dbraw/zinc/83/43/39/970834339.db2.gz AOVBLKDEXIDAQV-VIFPVBQESA-N 0 1 246.314 2.264 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)cc1SC ZINC001215932895 970877258 /nfs/dbraw/zinc/87/72/58/970877258.db2.gz QKUBAZPABXUTIX-UHFFFAOYSA-N 0 1 249.339 2.493 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)c(C)c1C ZINC001215973257 970887723 /nfs/dbraw/zinc/88/77/23/970887723.db2.gz BNNOGZZHYHMHFD-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403206706 970892362 /nfs/dbraw/zinc/89/23/62/970892362.db2.gz HEGIUSANSOADGP-UPJWGTAASA-N 0 1 239.359 2.465 20 0 BEADMN CCC(CC)(CNCc1nn(C)cc1C)OC ZINC000723929451 970900000 /nfs/dbraw/zinc/90/00/00/970900000.db2.gz BTYBGSOZASENBB-UHFFFAOYSA-N 0 1 239.363 2.023 20 0 BEADMN CC[C@H]1[C@@H](CO)CCN1CC=C(Cl)Cl ZINC000403320160 970906556 /nfs/dbraw/zinc/90/65/56/970906556.db2.gz ANJFPYLBVJJURE-BDAKNGLRSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(C23CCCN2CCC3)o1 ZINC001256688979 970921443 /nfs/dbraw/zinc/92/14/43/970921443.db2.gz BSHAQLNCCDMJRU-NXEZZACHSA-N 0 1 233.315 2.278 20 0 BEADMN CCc1n[nH]cc1-c1nnc([C@@H]2C[C@H]2C)o1 ZINC001256707875 970929058 /nfs/dbraw/zinc/92/90/58/970929058.db2.gz CIZNZOMSKMBQOQ-RNFRBKRXSA-N 0 1 218.260 2.146 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001256717555 970934601 /nfs/dbraw/zinc/93/46/01/970934601.db2.gz HRNUYSAEFRQZLG-CRCLSJGQSA-N 0 1 224.651 2.237 20 0 BEADMN C[C@H](Cc1ccncc1)N1CC[C@@H](F)C1 ZINC001256734718 970957822 /nfs/dbraw/zinc/95/78/22/970957822.db2.gz BDOZDBHBXYDZSW-ZYHUDNBSSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCCC(=O)[C@H](C)C1 ZINC001256736354 970963402 /nfs/dbraw/zinc/96/34/02/970963402.db2.gz OOOUQADOMIDZQN-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCC(=O)[C@@H](C)CC1 ZINC001256735672 970962028 /nfs/dbraw/zinc/96/20/28/970962028.db2.gz IUPSQRHWICXVOV-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCCCC12COC2 ZINC001256741601 970971771 /nfs/dbraw/zinc/97/17/71/970971771.db2.gz JEQYXVZGFOWYRY-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCOCC1(C)C ZINC001256743453 970972230 /nfs/dbraw/zinc/97/22/30/970972230.db2.gz ULTJDMATVDHKKX-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN CN(C1COC1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815546 970991758 /nfs/dbraw/zinc/99/17/58/970991758.db2.gz BIJRAFXLOVZOBY-HIFRSBDPSA-N 0 1 247.338 2.237 20 0 BEADMN CCOC(=O)C1CN(CCc2cccc(C)c2)C1 ZINC001207537800 1169496196 /nfs/dbraw/zinc/49/61/96/1169496196.db2.gz JIXQONOJLCRWJB-UHFFFAOYSA-N 0 1 247.338 2.032 20 0 BEADMN CSc1ncc(C)cc1-n1cnc(C)c1N ZINC001216241914 970994894 /nfs/dbraw/zinc/99/48/94/970994894.db2.gz YXZUIONPHXZYNH-UHFFFAOYSA-N 0 1 234.328 2.188 20 0 BEADMN CN(C)Cc1cccc(Nc2ccn(C)n2)c1F ZINC001216227252 970996399 /nfs/dbraw/zinc/99/63/99/970996399.db2.gz XOUQZRBIBRFTCL-UHFFFAOYSA-N 0 1 248.305 2.364 20 0 BEADMN CCOc1ccc(C)c(Nc2nonc2N)c1 ZINC001216236415 971000304 /nfs/dbraw/zinc/00/03/04/971000304.db2.gz YZBPYLFDRPIHNO-UHFFFAOYSA-N 0 1 234.259 2.103 20 0 BEADMN c1nc2c(-c3cccc4nc[nH]c43)cccn2n1 ZINC001243931605 971022477 /nfs/dbraw/zinc/02/24/77/971022477.db2.gz HPZAWCSFBQJWHL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Nc1cncn1-c1ccc(F)c2ccoc21 ZINC001216297000 971023876 /nfs/dbraw/zinc/02/38/76/971023876.db2.gz WQZWNNKBSORHTN-UHFFFAOYSA-N 0 1 217.203 2.340 20 0 BEADMN CN(C)c1nccc(-c2cccc3nc[nH]c32)n1 ZINC001243931339 971023858 /nfs/dbraw/zinc/02/38/58/971023858.db2.gz STIALGFSORVOOZ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CC[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1O ZINC000403787329 971039271 /nfs/dbraw/zinc/03/92/71/971039271.db2.gz ZOTDDQRVAAXURD-SFYZADRCSA-N 0 1 224.131 2.008 20 0 BEADMN C[C@@H](N(C)CC=C(Cl)Cl)C(C)(C)O ZINC000403743232 971044275 /nfs/dbraw/zinc/04/42/75/971044275.db2.gz MWNJRGROCZVZNV-SSDOTTSWSA-N 0 1 226.147 2.397 20 0 BEADMN Fc1ccc(CCCN2CCO[C@@H]3C[C@@H]32)cc1 ZINC001208775631 1169507009 /nfs/dbraw/zinc/50/70/09/1169507009.db2.gz SFRHUCRGKGSUGO-UONOGXRCSA-N 0 1 235.302 2.231 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)(C)C)[C@@H](C)CO1 ZINC000403778238 971061106 /nfs/dbraw/zinc/06/11/06/971061106.db2.gz UNMUZANBFNJNBL-RYUDHWBXSA-N 0 1 241.375 2.491 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000403813295 971068840 /nfs/dbraw/zinc/06/88/40/971068840.db2.gz KBVDPCBZKCZRNL-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000323972435 971068953 /nfs/dbraw/zinc/06/89/53/971068953.db2.gz HXDTWLAOKYXRFU-SNVBAGLBSA-N 0 1 220.272 2.380 20 0 BEADMN Cc1nc(CNC2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC001257069918 971084198 /nfs/dbraw/zinc/08/41/98/971084198.db2.gz JDKRJJXWDHSZAO-IUCAKERBSA-N 0 1 238.331 2.337 20 0 BEADMN c1cn2cc(NC3=CCCOC3)ccc2n1 ZINC001216505333 971104362 /nfs/dbraw/zinc/10/43/62/971104362.db2.gz QZMUJEQBJJIWLV-UHFFFAOYSA-N 0 1 215.256 2.050 20 0 BEADMN COC(=O)[C@@H]1CC[C@H](N2CC[C@@H](C)[C@H](F)C2)C1 ZINC001170536165 971121648 /nfs/dbraw/zinc/12/16/48/971121648.db2.gz SLXURAQBZHAKCT-WISYIIOYSA-N 0 1 243.322 2.008 20 0 BEADMN Nc1cncn1-c1ccnc(OCC2CCC2)c1 ZINC001216594728 971134270 /nfs/dbraw/zinc/13/42/70/971134270.db2.gz XGIPEPVRPSWOIB-UHFFFAOYSA-N 0 1 244.298 2.028 20 0 BEADMN Cn1ccnc1Nc1cncc(OCC2CC2)c1 ZINC001216595252 971134705 /nfs/dbraw/zinc/13/47/05/971134705.db2.gz AINWYNYZSKURHE-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN Oc1ccc(CNCc2ccns2)cc1F ZINC000404295587 971155157 /nfs/dbraw/zinc/15/51/57/971155157.db2.gz NLVSPPBBFJQRNZ-UHFFFAOYSA-N 0 1 238.287 2.278 20 0 BEADMN OCCCCCCN1CCC=C(Cl)C1 ZINC000404351542 971156163 /nfs/dbraw/zinc/15/61/63/971156163.db2.gz PFMQSDLIIHHWRY-UHFFFAOYSA-N 0 1 217.740 2.368 20 0 BEADMN CCC[C@@H](CC)N1CCc2c(ncn2C)C1 ZINC001257267413 971168176 /nfs/dbraw/zinc/16/81/76/971168176.db2.gz WVGALXABSVBWGX-LLVKDONJSA-N 0 1 221.348 2.357 20 0 BEADMN COc1cc(C(C)=O)ccc1Nc1cncn1C ZINC001211251010 1169531672 /nfs/dbraw/zinc/53/16/72/1169531672.db2.gz UICSCQSJPIASEA-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN CCC(CC)NCc1ncc(Cl)cn1 ZINC001257288672 971176401 /nfs/dbraw/zinc/17/64/01/971176401.db2.gz AJDJMBYBWDRFME-UHFFFAOYSA-N 0 1 213.712 2.408 20 0 BEADMN CCC(CC)[N@@H+](CC)[C@@H](C)C(=O)OC ZINC001257301680 971192299 /nfs/dbraw/zinc/19/22/99/971192299.db2.gz MCPMTRZJKJBSBL-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN Cc1cc(CO)ccc1Nc1ccncc1 ZINC001214656177 1169536734 /nfs/dbraw/zinc/53/67/34/1169536734.db2.gz VIJBDNCSVPMCRP-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN O[C@H](CN1CCC(F)(F)CC1)CC(F)(F)F ZINC000405169413 1169545302 /nfs/dbraw/zinc/54/53/02/1169545302.db2.gz RFCKQGXDUYTNST-ZETCQYMHSA-N 0 1 247.207 2.031 20 0 BEADMN CCCC(CCC)N1CC[C@H]1C(=O)OC ZINC001257334816 971244665 /nfs/dbraw/zinc/24/46/65/971244665.db2.gz DLMYGMMPXXJXCZ-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1coc(C)n1 ZINC001206068422 971251473 /nfs/dbraw/zinc/25/14/73/971251473.db2.gz XXKFOZNVYIPZCO-LBPRGKRZSA-N 0 1 238.331 2.372 20 0 BEADMN CC(C)(C)OC(=O)NC1CN(C2CCCC2)C1 ZINC001257349451 971262724 /nfs/dbraw/zinc/26/27/24/971262724.db2.gz OHHRXXCNTQWCTD-UHFFFAOYSA-N 0 1 240.347 2.138 20 0 BEADMN c1cc([C@H]2CN(C3CCCC3)CCO2)ccn1 ZINC001257355974 971269591 /nfs/dbraw/zinc/26/95/91/971269591.db2.gz OUROTFQMMSOTMN-CQSZACIVSA-N 0 1 232.327 2.398 20 0 BEADMN CCCCCC[C@H](C)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001257359985 971275974 /nfs/dbraw/zinc/27/59/74/971275974.db2.gz GOQBRVYZIOMPAI-WCBMZHEXSA-N 0 1 244.360 2.244 20 0 BEADMN CCCCCC[C@@H](C)N1CC2(C1)CS(=O)C2 ZINC001257362208 971276480 /nfs/dbraw/zinc/27/64/80/971276480.db2.gz AQPDUMCZKMJVAC-GFCCVEGCSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)[C@@H]1C)c1cscn1 ZINC000405677447 971290327 /nfs/dbraw/zinc/29/03/27/971290327.db2.gz YCHAUXZCEQNJGD-AXTSPUMRSA-N 0 1 226.345 2.217 20 0 BEADMN CCCCOC(=O)CC[C@H](C)N(C)CC(C)=O ZINC001257390258 971297340 /nfs/dbraw/zinc/29/73/40/971297340.db2.gz BBJKXFVDURYPOK-NSHDSACASA-N 0 1 243.347 2.019 20 0 BEADMN Cc1ccccc1CCN(C)CC1=NOCC1 ZINC001170592698 971306313 /nfs/dbraw/zinc/30/63/13/971306313.db2.gz GKODGBMUYUWBNQ-UHFFFAOYSA-N 0 1 232.327 2.246 20 0 BEADMN CCCC[C@H](CC)N1CC[C@H]1C(=O)OC ZINC001257418023 971315028 /nfs/dbraw/zinc/31/50/28/971315028.db2.gz KAPASCUQULGPRX-QWRGUYRKSA-N 0 1 213.321 2.203 20 0 BEADMN CCCC[C@H](CC)N1CCn2nncc2C1 ZINC001257425200 971322381 /nfs/dbraw/zinc/32/23/81/971322381.db2.gz LZWUFGAXLAJIII-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN CCCC[C@@H](CC)N1CCn2nncc2C1 ZINC001257425199 971323556 /nfs/dbraw/zinc/32/35/56/971323556.db2.gz LZWUFGAXLAJIII-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN NC1(c2nnc(C3CCCC3)o2)CCCC1 ZINC001217693842 971324321 /nfs/dbraw/zinc/32/43/21/971324321.db2.gz ASZWPEZZKGIPQS-UHFFFAOYSA-N 0 1 221.304 2.455 20 0 BEADMN CC(C)CCc1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693520 971327169 /nfs/dbraw/zinc/32/71/69/971327169.db2.gz WIOYPLSWLZBAEE-SNVBAGLBSA-N 0 1 249.314 2.494 20 0 BEADMN CCCC[C@H](CC)N1CCO[C@H](C(C)=O)C1 ZINC001257425977 971331260 /nfs/dbraw/zinc/33/12/60/971331260.db2.gz DEVJRPZWIODLDQ-STQMWFEESA-N 0 1 227.348 2.245 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693525 971331218 /nfs/dbraw/zinc/33/12/18/971331218.db2.gz WMMWZPXPVMTYTM-IWSPIJDZSA-N 0 1 233.271 2.029 20 0 BEADMN CC[C@@H](C)N[C@H]1C(=O)Nc2cccc(C)c21 ZINC001257427770 971334853 /nfs/dbraw/zinc/33/48/53/971334853.db2.gz TVELYBHBVBQOMB-BXKDBHETSA-N 0 1 218.300 2.376 20 0 BEADMN C(c1nnc([C@@H]2CCN2)o1)C1CCCCC1 ZINC001217695703 971334851 /nfs/dbraw/zinc/33/48/51/971334851.db2.gz WETKJGKNRHSQOB-JTQLQIEISA-N 0 1 221.304 2.227 20 0 BEADMN CC(C)Cc1nnc([C@@H]2NCCC[C@H]2C)o1 ZINC001217702093 971337659 /nfs/dbraw/zinc/33/76/59/971337659.db2.gz HYICRWFZKJACGB-MWLCHTKSSA-N 0 1 223.320 2.329 20 0 BEADMN C[C@@H]1CCCN[C@@H]1c1nnc(C2CC2)o1 ZINC001217702601 971344227 /nfs/dbraw/zinc/34/42/27/971344227.db2.gz LUWUFGQNXSUHIE-APPZFPTMSA-N 0 1 207.277 2.008 20 0 BEADMN CCCc1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702453 971344476 /nfs/dbraw/zinc/34/44/76/971344476.db2.gz KQJMECVGBBDENU-RKDXNWHRSA-N 0 1 209.293 2.083 20 0 BEADMN CCc1ccc(-c2nnc([C@@H]3C=CCN3)o2)cc1 ZINC001217717851 971358122 /nfs/dbraw/zinc/35/81/22/971358122.db2.gz OIOGAUVBAQEIAX-LBPRGKRZSA-N 0 1 241.294 2.500 20 0 BEADMN c1cc(-c2nnc([C@H]3CCN3)o2)cc2c1CCC2 ZINC001217717835 971358406 /nfs/dbraw/zinc/35/84/06/971358406.db2.gz HBELPUFFJRSZGD-GFCCVEGCSA-N 0 1 241.294 2.260 20 0 BEADMN C1=C[C@@H](c2nnc(CC3CCCCC3)o2)NC1 ZINC001217718618 971359435 /nfs/dbraw/zinc/35/94/35/971359435.db2.gz YKBDQGMJGFANLP-NSHDSACASA-N 0 1 233.315 2.393 20 0 BEADMN CC[C@@H](C)N1CCc2cnc(SC)nc2C1 ZINC001257447298 971363549 /nfs/dbraw/zinc/36/35/49/971363549.db2.gz ZAZTWIKNJHBEPK-SECBINFHSA-N 0 1 237.372 2.355 20 0 BEADMN CC(C)C[C@@](C)(N)c1nnc(C2CC2)o1 ZINC001217732809 971373641 /nfs/dbraw/zinc/37/36/41/971373641.db2.gz FXBOTPFUNWIRBY-LLVKDONJSA-N 0 1 209.293 2.167 20 0 BEADMN NCc1nc2cnccc2n1C1CCCCC1 ZINC001257453699 971375526 /nfs/dbraw/zinc/37/55/26/971375526.db2.gz TWPFQWUJFLFNCO-UHFFFAOYSA-N 0 1 230.315 2.395 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CC(=O)NC[C@H]1C ZINC001257480452 971404840 /nfs/dbraw/zinc/40/48/40/971404840.db2.gz DZUXABZEIPYBDR-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CC(NC(C)=O)C1 ZINC001257483117 971410819 /nfs/dbraw/zinc/41/08/19/971410819.db2.gz UOSYJEXNFRRBSP-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@@H](C)Nc1nccnc1CN ZINC001257503027 971422285 /nfs/dbraw/zinc/42/22/85/971422285.db2.gz IZUKEYOHBAIREY-SNVBAGLBSA-N 0 1 222.336 2.316 20 0 BEADMN CCCCC[C@H](C)N1CCOC[C@@H]1COC ZINC001257520427 971445821 /nfs/dbraw/zinc/44/58/21/971445821.db2.gz SUXQJKHNAISISP-STQMWFEESA-N 0 1 229.364 2.302 20 0 BEADMN Cc1nc(CN[C@H]2CCCSC2)c(C)o1 ZINC001257655161 971459285 /nfs/dbraw/zinc/45/92/85/971459285.db2.gz RLNUHTCERWKHKT-JTQLQIEISA-N 0 1 226.345 2.277 20 0 BEADMN CN(Cc1cncs1)[C@H]1CCCSC1 ZINC001257680791 971486385 /nfs/dbraw/zinc/48/63/85/971486385.db2.gz DNEIGQCDFUVWMP-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN CC(=O)c1cc(-c2nnc(CC(C)(C)C)o2)[nH]n1 ZINC001257835459 971501968 /nfs/dbraw/zinc/50/19/68/971501968.db2.gz XZFPNUYGHXECLU-UHFFFAOYSA-N 0 1 248.286 2.251 20 0 BEADMN CC(C)[NH+]1CC(Oc2cccc([S-])c2)C1 ZINC001226015312 1169599335 /nfs/dbraw/zinc/59/93/35/1169599335.db2.gz IREAHCXHHISDTN-UHFFFAOYSA-N 0 1 223.341 2.447 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000087773746 949097865 /nfs/dbraw/zinc/09/78/65/949097865.db2.gz KXCZEZMZBLASFW-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN c1nnc(CSCc2coc(C3CC3)n2)[nH]1 ZINC001330306350 974223575 /nfs/dbraw/zinc/22/35/75/974223575.db2.gz IXXIIPQRNOTGNJ-UHFFFAOYSA-N 0 1 236.300 2.104 20 0 BEADMN CC(C)CCC[N@@H+](C)CCCC(=O)[O-] ZINC000165507311 949428915 /nfs/dbraw/zinc/42/89/15/949428915.db2.gz NUPIVKAGMHLULN-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCC[C@@H](CNc1cc(C(=O)[O-])cc[nH+]1)OC ZINC000378850202 971586729 /nfs/dbraw/zinc/58/67/29/971586729.db2.gz VJSWCZZCUKDXLM-JTQLQIEISA-N 0 1 238.287 2.007 20 0 BEADMN C[C@@H](O)c1ncc(CNC/C=C\C2CC2)s1 ZINC001330422425 974260817 /nfs/dbraw/zinc/26/08/17/974260817.db2.gz BXPWZVNSLGHNTD-PKRMOACSSA-N 0 1 238.356 2.252 20 0 BEADMN C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226443920 949582339 /nfs/dbraw/zinc/58/23/39/949582339.db2.gz SXKKIEYDWYARPW-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@@H](Oc1[nH]c(=O)nc2cnccc21)C(C)C ZINC001226976313 1169617580 /nfs/dbraw/zinc/61/75/80/1169617580.db2.gz KSLSPGSROVFRCQ-LLVKDONJSA-N 0 1 247.298 2.132 20 0 BEADMN Cc1ccnc(CN[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001170713538 971625235 /nfs/dbraw/zinc/62/52/35/971625235.db2.gz PSECELXJEHTWQC-CNDDSTCGSA-N 0 1 231.343 2.309 20 0 BEADMN CCC1(CC)CCCN(Cc2nnc[nH]2)C1 ZINC001330575443 974327280 /nfs/dbraw/zinc/32/72/80/974327280.db2.gz GWGDORJROXBDIL-UHFFFAOYSA-N 0 1 222.336 2.207 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])CC1CCC1 ZINC000379643556 971651190 /nfs/dbraw/zinc/65/11/90/971651190.db2.gz PCINVZQIBKEIEK-JXMROGBWSA-N 0 1 211.305 2.139 20 0 BEADMN CC[N@@H+](CCSC(C)C)C(C)(C)C(=O)[O-] ZINC000379824336 971661221 /nfs/dbraw/zinc/66/12/21/971661221.db2.gz VHIGGIWCAJIWLQ-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN CCC[N@H+](Cc1oncc1C(=O)[O-])CC(C)C ZINC000379844376 971662420 /nfs/dbraw/zinc/66/24/20/971662420.db2.gz CKPGUFFZIXGAMV-UHFFFAOYSA-N 0 1 240.303 2.241 20 0 BEADMN CC1(C[N@H+](CC(=O)[O-])CC2CC2)CCCC1 ZINC000309431866 950677219 /nfs/dbraw/zinc/67/72/19/950677219.db2.gz XUQRMPYNFJGPMD-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NC3(c4ncccn4)CC3)C[C@@H]21 ZINC001170737124 971687407 /nfs/dbraw/zinc/68/74/07/971687407.db2.gz FKTPKPCRCVMUIG-ZSBIGDGJSA-N 0 1 243.354 2.490 20 0 BEADMN C[C@@H]1CC[C@H](Oc2n[nH]c3c2CNCC3)C[C@H]1C ZINC001218295809 971696849 /nfs/dbraw/zinc/69/68/49/971696849.db2.gz OWRGLHKZMPQYOV-MXWKQRLJSA-N 0 1 249.358 2.259 20 0 BEADMN O[C@H](CNCc1nccs1)C1CCCCC1 ZINC000309611250 971702908 /nfs/dbraw/zinc/70/29/08/971702908.db2.gz ZLNDLOTYANBICU-LLVKDONJSA-N 0 1 240.372 2.174 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N3CCC(=O)CC3)C[C@@H]21 ZINC001170746111 971706041 /nfs/dbraw/zinc/70/60/41/971706041.db2.gz KXQIMFCXHGQKRP-WLLOZRIZSA-N 0 1 207.317 2.086 20 0 BEADMN CC1(C)CCC[C@@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218350572 971720511 /nfs/dbraw/zinc/72/05/11/971720511.db2.gz MOTJQRBXDNMXIG-SNVBAGLBSA-N 0 1 249.358 2.403 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1F ZINC000384454482 951268660 /nfs/dbraw/zinc/26/86/60/951268660.db2.gz ATSOUCBCTGNGJI-NSHDSACASA-N 0 1 237.274 2.041 20 0 BEADMN Cc1c(C(=O)NC/C=C/Cl)ccc2cncn21 ZINC001134611034 971737339 /nfs/dbraw/zinc/73/73/39/971737339.db2.gz HMQLRJVFGRSHKL-GORDUTHDSA-N 0 1 249.701 2.125 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N3CCn4cncc4C3)C[C@@H]21 ZINC001170761643 971742913 /nfs/dbraw/zinc/74/29/13/971742913.db2.gz OABJISCZEXKNKQ-UOJUARBOSA-N 0 1 231.343 2.133 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCCCF)C1 ZINC000398652461 951595441 /nfs/dbraw/zinc/59/54/41/951595441.db2.gz BLULQNGHCRFHRH-GHMZBOCLSA-N 0 1 231.311 2.169 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CC(F)(F)C2)C1 ZINC000398760023 951606553 /nfs/dbraw/zinc/60/65/53/951606553.db2.gz BKRJNKZZYWFYDN-PSASIEDQSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+]([C@H]2C=CCCC2)C1 ZINC000398856202 951615745 /nfs/dbraw/zinc/61/57/45/951615745.db2.gz OSBMBESYTLTHRU-WOPDTQHZSA-N 0 1 223.316 2.138 20 0 BEADMN CCC[C@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438591 1169660496 /nfs/dbraw/zinc/66/04/96/1169660496.db2.gz PWFBXRCCNJZHGM-ZETCQYMHSA-N 0 1 220.276 2.229 20 0 BEADMN c1ncc(CNc2cc(C3CC3)ccn2)[nH]1 ZINC000309704922 971780734 /nfs/dbraw/zinc/78/07/34/971780734.db2.gz UXSHBRXEEQSXKW-UHFFFAOYSA-N 0 1 214.272 2.294 20 0 BEADMN O[C@H]1C[C@@H](Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001218414794 971787932 /nfs/dbraw/zinc/78/79/32/971787932.db2.gz ABNJMYHCXAFNLT-OCAPTIKFSA-N 0 1 238.674 2.118 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@H]1C[C@@H](O)C1 ZINC001218434111 971813502 /nfs/dbraw/zinc/81/35/02/971813502.db2.gz QQZNEPPLMKCIAY-JGZJWPJOSA-N 0 1 232.283 2.021 20 0 BEADMN CC1=C(C)CN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000382960515 971841987 /nfs/dbraw/zinc/84/19/87/971841987.db2.gz SPEMQDXLEPXHNR-UHFFFAOYSA-N 0 1 232.283 2.326 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCC2CC(F)(F)C2)c1 ZINC000383236757 971858569 /nfs/dbraw/zinc/85/85/69/971858569.db2.gz IDIGEJNNYYYWGE-UHFFFAOYSA-N 0 1 242.225 2.237 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(F)cc1 ZINC001135421645 971892382 /nfs/dbraw/zinc/89/23/82/971892382.db2.gz PDPLVBFHCGMJJS-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@@H]1CCOC[C@H]1C ZINC001170815945 971895833 /nfs/dbraw/zinc/89/58/33/971895833.db2.gz AGOGDVORTVUWGY-VXGBXAGGSA-N 0 1 249.358 2.293 20 0 BEADMN C[C@H]1COCC[C@@H]1Nc1cccn2cncc12 ZINC001170823772 971919629 /nfs/dbraw/zinc/91/96/29/971919629.db2.gz HDGITQRWJAKXKD-QWRGUYRKSA-N 0 1 231.299 2.171 20 0 BEADMN C[C@H]1COCC[C@H]1Nc1ccnc2c1ccn2C ZINC001170833131 971946201 /nfs/dbraw/zinc/94/62/01/971946201.db2.gz VPLAELZHZWPJJZ-CMPLNLGQSA-N 0 1 245.326 2.410 20 0 BEADMN CN1CCC12CN(Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796562 971951028 /nfs/dbraw/zinc/95/10/28/971951028.db2.gz MNAPUDNDSZKYAE-UHFFFAOYSA-N 0 1 247.386 2.202 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CC(C)(OC)C1 ZINC001172334976 974601297 /nfs/dbraw/zinc/60/12/97/974601297.db2.gz DXVTYOOOHVMYSF-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(C)cc2O)[nH]1 ZINC001135745299 971972164 /nfs/dbraw/zinc/97/21/64/971972164.db2.gz OATOBPNFWMZEDY-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(C)cc1O ZINC001135745422 971971622 /nfs/dbraw/zinc/97/16/22/971971622.db2.gz TUPHQFWGCQVATL-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172338411 974605615 /nfs/dbraw/zinc/60/56/15/974605615.db2.gz MMVOCURUSOLOSD-XQQFMLRXSA-N 0 1 241.375 2.491 20 0 BEADMN CC[C@](N)(CO)Nc1nccc2cc(C)ccc21 ZINC001170857653 971979005 /nfs/dbraw/zinc/97/90/05/971979005.db2.gz GWHQAASJGGSGNB-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC001594839639 954066927 /nfs/dbraw/zinc/06/69/27/954066927.db2.gz QZOITKCKDIPFTD-ZDUSSCGKSA-N 0 1 247.294 2.232 20 0 BEADMN CC[C@@](N)(CO)Nc1cccc2cncc(C)c21 ZINC001170866083 971997649 /nfs/dbraw/zinc/99/76/49/971997649.db2.gz UOEFIFSPIYFPGL-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc2c(C)ccnc2c1 ZINC001170864076 971998310 /nfs/dbraw/zinc/99/83/10/971998310.db2.gz RBYSBZRNCDDSGQ-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@](N)(CO)Nc1ccccc1C1CC1 ZINC001170865842 972006222 /nfs/dbraw/zinc/00/62/22/972006222.db2.gz JMGJIMDHIYJKNC-CYBMUJFWSA-N 0 1 220.316 2.033 20 0 BEADMN CC1(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000687301303 954615673 /nfs/dbraw/zinc/61/56/73/954615673.db2.gz XHWPILDTOYNFKN-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN O=C(NCCC1=CCCCC1)c1[nH]ncc1F ZINC001136099261 972028070 /nfs/dbraw/zinc/02/80/70/972028070.db2.gz WPKIWLPGMOGXCB-UHFFFAOYSA-N 0 1 237.278 2.169 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(Cl)nc2)[nH]1 ZINC001245917400 972094352 /nfs/dbraw/zinc/09/43/52/972094352.db2.gz ILOUFRDSUHQTRZ-UHFFFAOYSA-N 0 1 237.690 2.248 20 0 BEADMN CC(C)c1cc(=O)n(CC2CCOCC2)[nH]1 ZINC001245917657 972097416 /nfs/dbraw/zinc/09/74/16/972097416.db2.gz OKIOONMFSMNHRM-UHFFFAOYSA-N 0 1 224.304 2.139 20 0 BEADMN CC(C)c1ccccc1-n1[nH]c(CO)cc1=O ZINC001245925170 972098927 /nfs/dbraw/zinc/09/89/27/972098927.db2.gz IZCTVXDKJSXRGL-UHFFFAOYSA-N 0 1 232.283 2.194 20 0 BEADMN CCCc1cc(=O)n(-c2cnccc2C)[nH]1 ZINC001245925726 972100223 /nfs/dbraw/zinc/10/02/23/972100223.db2.gz VRDOQHCZIDGIDD-UHFFFAOYSA-N 0 1 217.272 2.234 20 0 BEADMN C[C@@H](O)Cn1[nH]c(CCC2CCCC2)cc1=O ZINC001245932494 972104208 /nfs/dbraw/zinc/10/42/08/972104208.db2.gz QFWPQEDWVMBLOW-SNVBAGLBSA-N 0 1 238.331 2.092 20 0 BEADMN CC(C)COc1cnc(C2=CCCN(C)C2)cn1 ZINC001241571825 1169730901 /nfs/dbraw/zinc/73/09/01/1169730901.db2.gz GWTLLPRDZRLGDL-UHFFFAOYSA-N 0 1 247.342 2.230 20 0 BEADMN COc1cnc(C)c(C2=CCCN(C)C2)c1 ZINC001241571215 1169731242 /nfs/dbraw/zinc/73/12/42/1169731242.db2.gz VYRRIHLRUKWNON-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2cccc(F)c2C1 ZINC001170986422 972208498 /nfs/dbraw/zinc/20/84/98/972208498.db2.gz TXNGZBGGTUGIET-GFCCVEGCSA-N 0 1 235.302 2.204 20 0 BEADMN CN([C@@H]1CCc2cccc(F)c2C1)C1(C)COC1 ZINC001171000856 972224807 /nfs/dbraw/zinc/22/48/07/972224807.db2.gz MBNNYPWERBFLBI-GFCCVEGCSA-N 0 1 249.329 2.404 20 0 BEADMN Cc1ccc([C@H](C)CCN2CC3(COC3)C2)o1 ZINC001208150352 957026024 /nfs/dbraw/zinc/02/60/24/957026024.db2.gz FGPDMEJRRIGSDM-LLVKDONJSA-N 0 1 235.327 2.414 20 0 BEADMN COc1ccnc(N2CC(c3cccnc3)C2)c1 ZINC001167066793 957065926 /nfs/dbraw/zinc/06/59/26/957065926.db2.gz BTEVCYFBCTTZHB-UHFFFAOYSA-N 0 1 241.294 2.089 20 0 BEADMN CN1CCC(=Nc2nc(F)c(F)cc2F)CC1 ZINC001208717446 957134874 /nfs/dbraw/zinc/13/48/74/957134874.db2.gz DPVAGZSRVYKQQC-UHFFFAOYSA-N 0 1 243.232 2.130 20 0 BEADMN Cn1ccc(CNCc2cccc3c2OCC3)c1 ZINC000692967412 957161405 /nfs/dbraw/zinc/16/14/05/957161405.db2.gz VAOQXAUJMMHCEX-UHFFFAOYSA-N 0 1 242.322 2.250 20 0 BEADMN Cl/C=C\CNCc1cccc2c1OCC2 ZINC000692980808 957205427 /nfs/dbraw/zinc/20/54/27/957205427.db2.gz DOTYAHCTZYRIKV-KXFIGUGUSA-N 0 1 223.703 2.464 20 0 BEADMN CC1(CN2CCO[C@H]3C[C@H]32)CCCCC1 ZINC001208904031 957231921 /nfs/dbraw/zinc/23/19/21/957231921.db2.gz XEIHNWRNQYMTQX-NEPJUHHUSA-N 0 1 209.333 2.430 20 0 BEADMN CCC(=O)C(C)(C)CN1CCCCC12COC2 ZINC001208917149 957235138 /nfs/dbraw/zinc/23/51/38/957235138.db2.gz TZSNWNQPHHAMRY-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN COc1ccnc(NC(C)(C)CC(C)=O)c1 ZINC001160294993 972256809 /nfs/dbraw/zinc/25/68/09/972256809.db2.gz SGACEDYBWSOVGX-UHFFFAOYSA-N 0 1 222.288 2.260 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2ccccn2)C1 ZINC001204055911 972252126 /nfs/dbraw/zinc/25/21/26/972252126.db2.gz PNOVQPIWQLLWKH-JQWIXIFHSA-N 0 1 208.280 2.262 20 0 BEADMN CCN(Cc1cnc(Cl)nc1)C1CC1 ZINC001139987320 957299527 /nfs/dbraw/zinc/29/95/27/957299527.db2.gz NWEAVJKYQSORHP-UHFFFAOYSA-N 0 1 211.696 2.114 20 0 BEADMN Cc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)o1 ZINC000037474352 957303597 /nfs/dbraw/zinc/30/35/97/957303597.db2.gz SHCZTDPMZLLJJV-UHFFFAOYSA-N 0 1 225.288 2.273 20 0 BEADMN Cc1ccc(CNCc2cccs2)nn1 ZINC000396938313 957379435 /nfs/dbraw/zinc/37/94/35/957379435.db2.gz RSHLBMUWYINASU-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CCC(CC)N(CC)c1ncnc2c1CCNC2 ZINC001167111449 957383912 /nfs/dbraw/zinc/38/39/12/957383912.db2.gz NMGUZCPDKLUZGV-UHFFFAOYSA-N 0 1 248.374 2.137 20 0 BEADMN C[N@@H+](Cc1ccsc1)C(C)(C)C(=O)[O-] ZINC000041875857 957399815 /nfs/dbraw/zinc/39/98/15/957399815.db2.gz DYBWADJJKMCTFB-UHFFFAOYSA-N 0 1 213.302 2.043 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])no1 ZINC000042416958 957413863 /nfs/dbraw/zinc/41/38/63/957413863.db2.gz DUUMYVNOSAHXQF-DTORHVGOSA-N 0 1 238.287 2.136 20 0 BEADMN Cc1occc1CN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000042449986 957418760 /nfs/dbraw/zinc/41/87/60/957418760.db2.gz XFTMGPSNKPHFHJ-UHFFFAOYSA-N 0 1 246.266 2.318 20 0 BEADMN Cc1n[nH]cc1CNCc1cnc(C)cc1C ZINC000397014086 957420514 /nfs/dbraw/zinc/42/05/14/957420514.db2.gz OMXAYTNLSUDIGT-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1[nH]ncc1CN1CCC[C@H]1C(F)(F)F ZINC001209554996 957502474 /nfs/dbraw/zinc/50/24/74/957502474.db2.gz RXTIJJBEZSAOTO-VIFPVBQESA-N 0 1 233.237 2.245 20 0 BEADMN Fc1ccc(-c2cc3nc[nH]c3cn2)nc1 ZINC001241805954 1169743483 /nfs/dbraw/zinc/74/34/83/1169743483.db2.gz TXADFLZQYNXJGN-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCOc1ccnc(N2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001167223222 957554486 /nfs/dbraw/zinc/55/44/86/957554486.db2.gz YIAWSRYBGRJOMG-CNDDSTCGSA-N 0 1 236.290 2.132 20 0 BEADMN CCN(CCOC)Cc1cc(Cl)ccn1 ZINC000086129881 957559964 /nfs/dbraw/zinc/55/99/64/957559964.db2.gz XWSBKCVZYDJLDP-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN Cc1cc(N)ncc1Nc1ncc(F)s1 ZINC001209960896 957584691 /nfs/dbraw/zinc/58/46/91/957584691.db2.gz BIYGNMOAAUQLTQ-UHFFFAOYSA-N 0 1 224.264 2.311 20 0 BEADMN Cc1cc(N)ncc1Nc1cnn(C(C)C)c1 ZINC001209965127 957589285 /nfs/dbraw/zinc/58/92/85/957589285.db2.gz MSFIJPRXYBYNAK-UHFFFAOYSA-N 0 1 231.303 2.493 20 0 BEADMN COc1cncc(Nc2cnc(N)cc2C)c1C ZINC001209968768 957591364 /nfs/dbraw/zinc/59/13/64/957591364.db2.gz XXWIWVQSSUMCMK-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN CC1(C)CC=C(Nc2cnc(C(N)=O)nc2)CC1 ZINC001210167471 957652289 /nfs/dbraw/zinc/65/22/89/957652289.db2.gz RUIZZEVQYBQBGB-UHFFFAOYSA-N 0 1 246.314 2.081 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCCCC[C@@H]1C ZINC000069945219 957658828 /nfs/dbraw/zinc/65/88/28/957658828.db2.gz IREQHLWZDJVSCB-UQSGXBNBSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CCCCC[C@H]1C ZINC000069945217 957659017 /nfs/dbraw/zinc/65/90/17/957659017.db2.gz IREQHLWZDJVSCB-RJCSOLBVSA-N 0 1 211.305 2.282 20 0 BEADMN c1ncc(CN2CCOC[C@@H]2C2CCCCC2)[nH]1 ZINC001136873009 972286681 /nfs/dbraw/zinc/28/66/81/972286681.db2.gz GJZKLKYBVPHJJQ-CQSZACIVSA-N 0 1 249.358 2.191 20 0 BEADMN O=C1CCC2(CC1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC001136873472 972286775 /nfs/dbraw/zinc/28/67/75/972286775.db2.gz RCYSAGJOIWVFQK-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN c1c(CN2CCC[C@H]3C[C@H]32)nc2ccccn12 ZINC001136883013 972292914 /nfs/dbraw/zinc/29/29/14/972292914.db2.gz SYJWMABSQLHJIY-WCQYABFASA-N 0 1 227.311 2.319 20 0 BEADMN Cc1ccnc(NCCc2cnc(N)s2)c1 ZINC001160376501 972287950 /nfs/dbraw/zinc/28/79/50/972287950.db2.gz FRPFEMCOZLMJOQ-UHFFFAOYSA-N 0 1 234.328 2.083 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc[nH]c2=O)C[C@H]1F ZINC001207002166 957738502 /nfs/dbraw/zinc/73/85/02/957738502.db2.gz SHIXZIABLOXAKS-ZYHUDNBSSA-N 0 1 242.269 2.059 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccs1 ZINC000082360543 957790015 /nfs/dbraw/zinc/79/00/15/957790015.db2.gz NJNIMDMQGRRTRT-SCZZXKLOSA-N 0 1 225.313 2.043 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cn2ccccc2n1 ZINC001136881927 972293437 /nfs/dbraw/zinc/29/34/37/972293437.db2.gz PWGRTBBVRGXSRI-DRZSPHRISA-N 0 1 245.301 2.267 20 0 BEADMN Cc1ccc([C@@H]2CCCN2Cc2cnc[nH]2)cn1 ZINC001136871915 972293681 /nfs/dbraw/zinc/29/36/81/972293681.db2.gz SOHQQOWDOMWMJP-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CN(CCC=Cc1cccnc1)Cc1c[nH]cn1 ZINC001136871965 972294279 /nfs/dbraw/zinc/29/42/79/972294279.db2.gz XALHLWYGPKWUQC-GORDUTHDSA-N 0 1 242.326 2.340 20 0 BEADMN Cc1nc(CNC[C@@H](O)C2CCC2)sc1C ZINC000316842605 972294782 /nfs/dbraw/zinc/29/47/82/972294782.db2.gz WXBFVSPPJSGXCW-LLVKDONJSA-N 0 1 240.372 2.011 20 0 BEADMN Cc1ccn2c(CN3CC[C@H]3C)cnc2c1 ZINC001136885046 972296143 /nfs/dbraw/zinc/29/61/43/972296143.db2.gz CQZUOQAQYFOTPM-LLVKDONJSA-N 0 1 215.300 2.237 20 0 BEADMN Cc1ccc(NC2CC(=O)C2)c(CN(C)C)c1 ZINC001167348190 957848677 /nfs/dbraw/zinc/84/86/77/957848677.db2.gz QUWAOKHVXIJPEO-UHFFFAOYSA-N 0 1 232.327 2.200 20 0 BEADMN CC=C(C)Nc1cncc(N2CCN(C)CC2)c1 ZINC001210793172 957886437 /nfs/dbraw/zinc/88/64/37/957886437.db2.gz LJFZTFFYKIQYDO-UUILKARUSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1ccc2c(CN3CC4(COC4)C3)c[nH]c2c1 ZINC001136969420 972305328 /nfs/dbraw/zinc/30/53/28/972305328.db2.gz OPSHLLBEMPWDMH-UHFFFAOYSA-N 0 1 242.322 2.309 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CC2)cc(C)c1O ZINC000086751678 957981884 /nfs/dbraw/zinc/98/18/84/957981884.db2.gz TVTJACZYIGQEPO-UHFFFAOYSA-N 0 1 249.310 2.058 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000086807252 957993076 /nfs/dbraw/zinc/99/30/76/957993076.db2.gz VHBAIJNQUYXRTG-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2cc(C)c(C)o2)C1 ZINC001204538975 958014171 /nfs/dbraw/zinc/01/41/71/958014171.db2.gz IUSRQMVOJQLECY-LBPRGKRZSA-N 0 1 221.300 2.307 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1cccnc1 ZINC000087591519 958019720 /nfs/dbraw/zinc/01/97/20/958019720.db2.gz HFILMIAZOUCWTI-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN COCc1cncc(Nc2c(C)ncn2C)c1 ZINC001211081254 958025686 /nfs/dbraw/zinc/02/56/86/958025686.db2.gz ZWTAESSRUCZULF-UHFFFAOYSA-N 0 1 232.287 2.014 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cncc(Cl)c1 ZINC001136989809 972314071 /nfs/dbraw/zinc/31/40/71/972314071.db2.gz UFGBMEJSODLVBW-CABZTGNLSA-N 0 1 240.734 2.080 20 0 BEADMN C=COc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001299155763 958068097 /nfs/dbraw/zinc/06/80/97/958068097.db2.gz BLXZJNDTCNUHAC-UHFFFAOYSA-N 0 1 243.266 2.113 20 0 BEADMN CC(C)[C@@H]1CCCN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000088845571 958071332 /nfs/dbraw/zinc/07/13/32/958071332.db2.gz RMAJNQDXJSRQNW-NSHDSACASA-N 0 1 234.299 2.405 20 0 BEADMN Cn1cncc1Nc1cncc(Cl)c1 ZINC001211245009 958102686 /nfs/dbraw/zinc/10/26/86/958102686.db2.gz HQZVTFQCVGZLEW-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN Cn1cncc1Nc1ccnc(Cl)c1 ZINC001211245533 958102766 /nfs/dbraw/zinc/10/27/66/958102766.db2.gz OSGOCMISYVMFKH-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN Cn1cncc1Nc1c(F)c(F)nc(F)c1F ZINC001211245292 958104865 /nfs/dbraw/zinc/10/48/65/958104865.db2.gz LHTJTZFHGLSREH-UHFFFAOYSA-N 0 1 246.167 2.115 20 0 BEADMN Cc1cnc(Nc2cncn2C)c(C)c1 ZINC001211246543 958108534 /nfs/dbraw/zinc/10/85/34/958108534.db2.gz DBRXFQMFQPSGPQ-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN Cc1cc(F)nc(Nc2cncn2C)c1 ZINC001211248448 958109300 /nfs/dbraw/zinc/10/93/00/958109300.db2.gz MNNBHLQSFYRTKF-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cn1cncc1Nc1ncccc1C1CC1 ZINC001211247799 958110281 /nfs/dbraw/zinc/11/02/81/958110281.db2.gz DYCHHPYAYSVWIP-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN CC(=O)c1cc(Nc2cncn2C)cnc1C ZINC001211248512 958111004 /nfs/dbraw/zinc/11/10/04/958111004.db2.gz NCHORYUYKUTUIG-UHFFFAOYSA-N 0 1 230.271 2.070 20 0 BEADMN CCc1ccc(O)c(Nc2cncn2C)c1 ZINC001211250243 958113850 /nfs/dbraw/zinc/11/38/50/958113850.db2.gz KAYHLBKXIJKBLX-UHFFFAOYSA-N 0 1 217.272 2.432 20 0 BEADMN Cn1cncc1Nc1cccc2c1CCC2=O ZINC001211249904 958113936 /nfs/dbraw/zinc/11/39/36/958113936.db2.gz GULCDUIWIZCJEC-UHFFFAOYSA-N 0 1 227.267 2.293 20 0 BEADMN CCOC(=O)c1ccc(Nc2cncn2C)cc1 ZINC001211249905 958116778 /nfs/dbraw/zinc/11/67/78/958116778.db2.gz GUTXXOSWSJGCLU-UHFFFAOYSA-N 0 1 245.282 2.340 20 0 BEADMN Cn1cncc1Nc1cccc(Cl)c1CO ZINC001211251694 958120952 /nfs/dbraw/zinc/12/09/52/958120952.db2.gz MPSIZJPXIQTMQZ-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN Cn1cncc1N1CCCc2c(N)cccc21 ZINC001211251834 958121557 /nfs/dbraw/zinc/12/15/57/958121557.db2.gz PZWKZTFRLVAVKX-UHFFFAOYSA-N 0 1 228.299 2.087 20 0 BEADMN C[C@H]1CN(Cc2nccs2)CCC[C@]1(C)O ZINC001204545073 958123214 /nfs/dbraw/zinc/12/32/14/958123214.db2.gz MTVQMHBIHVMTCJ-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN COc1cnccc1Nc1ccc(C)nc1F ZINC001211257775 958124917 /nfs/dbraw/zinc/12/49/17/958124917.db2.gz RPUWHXGJPFEGLQ-UHFFFAOYSA-N 0 1 233.246 2.098 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])C[C@H]1C ZINC000092086020 958156316 /nfs/dbraw/zinc/15/63/16/958156316.db2.gz XDVKLLMNWZJURD-PHIMTYICSA-N 0 1 233.311 2.473 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000723138209 958163217 /nfs/dbraw/zinc/16/32/17/958163217.db2.gz OHDCATCTXIWOND-WYUUTHIRSA-N 0 1 225.332 2.075 20 0 BEADMN Oc1cc(F)c(-c2cnc(F)nc2)cc1F ZINC001211339433 958163588 /nfs/dbraw/zinc/16/35/88/958163588.db2.gz ORSHHEJVKHGUMF-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN FC(F)(F)c1cnc(CN2CCCC2)[nH]1 ZINC001137010377 972325143 /nfs/dbraw/zinc/32/51/43/972325143.db2.gz PCIIOKPCHWNGMA-UHFFFAOYSA-N 0 1 219.210 2.024 20 0 BEADMN FC(F)(F)c1cnc(CN2CC3(CCC3)C2)[nH]1 ZINC001137012116 972326243 /nfs/dbraw/zinc/32/62/43/972326243.db2.gz REFNXMQKWSLBFN-UHFFFAOYSA-N 0 1 245.248 2.414 20 0 BEADMN C[C@H]1CCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137012314 972327484 /nfs/dbraw/zinc/32/74/84/972327484.db2.gz YXEDXXKEQHRAHC-ZETCQYMHSA-N 0 1 233.237 2.270 20 0 BEADMN CCCOC1CN(Cc2ccc3nc[nH]c3c2)C1 ZINC001137046551 972342630 /nfs/dbraw/zinc/34/26/30/972342630.db2.gz HCYNLDIXPCPNFH-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCc1cc(Nc2cncn2C)ccc1N ZINC001216035351 958449693 /nfs/dbraw/zinc/44/96/93/958449693.db2.gz AAPCVQNKHKVAHJ-UHFFFAOYSA-N 0 1 216.288 2.308 20 0 BEADMN C/C(=C\C[N@@H+](Cc1ccoc1)C1CC1)C(=O)[O-] ZINC000723722849 958463436 /nfs/dbraw/zinc/46/34/36/958463436.db2.gz RGWNCPMJLXVZNC-ONNFQVAWSA-N 0 1 235.283 2.275 20 0 BEADMN CC[C@@H](C)[C@H](C)Sc1nc(N)cc(N)n1 ZINC000318864774 972351317 /nfs/dbraw/zinc/35/13/17/972351317.db2.gz KDARBJGQYXHNKQ-RQJHMYQMSA-N 0 1 226.349 2.168 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3ccncc3)c(=O)c2C1 ZINC001330066543 972354638 /nfs/dbraw/zinc/35/46/38/972354638.db2.gz DBZDPVSNMSCOPG-PWSUYJOCSA-N 0 1 243.310 2.216 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CC[C@H](CO)C1 ZINC001143764376 972357564 /nfs/dbraw/zinc/35/75/64/972357564.db2.gz PRNMFEZNTHFMGV-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN CO[C@H]1CCN(Cc2cc(F)cc(F)c2C)C1 ZINC001143757681 972363651 /nfs/dbraw/zinc/36/36/51/972363651.db2.gz JGIXYNSERAQBJJ-LBPRGKRZSA-N 0 1 241.281 2.494 20 0 BEADMN CCn1ccnc1CN[C@@H]1CCOC12CCCC2 ZINC000934384557 958882183 /nfs/dbraw/zinc/88/21/83/958882183.db2.gz HMOOHBQMBJGACZ-GFCCVEGCSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1ccc2nc(N)n(C3=CCCOC3)c2c1 ZINC001216505038 958999362 /nfs/dbraw/zinc/99/93/62/958999362.db2.gz YDIXWWCLOKSSQT-UHFFFAOYSA-N 0 1 229.283 2.188 20 0 BEADMN CC(C)(C)c1nccc(N=C2CCCOC2)n1 ZINC001216506855 959005000 /nfs/dbraw/zinc/00/50/00/959005000.db2.gz AALCKIRMAUAPMF-UHFFFAOYSA-N 0 1 233.315 2.490 20 0 BEADMN Cc1ccnc(NCc2ccnc(N)c2)c1C ZINC001167613071 959062314 /nfs/dbraw/zinc/06/23/14/959062314.db2.gz HIUGVFBGJVYWIX-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN COCOc1ccccc1Nc1cncn1C ZINC001211556931 959065097 /nfs/dbraw/zinc/06/50/97/959065097.db2.gz YMEYZNAYFGWZKX-UHFFFAOYSA-N 0 1 233.271 2.146 20 0 BEADMN CCOc1cc(Nc2c(C)ncn2C)ccn1 ZINC001216623807 959157449 /nfs/dbraw/zinc/15/74/49/959157449.db2.gz VTVLSEGVZBBHOC-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1CCOC(C)(C)C1 ZINC001207352582 959214161 /nfs/dbraw/zinc/21/41/61/959214161.db2.gz IMLJPQQMSBSZCB-GFCCVEGCSA-N 0 1 249.358 2.114 20 0 BEADMN C[C@H]1CC(=O)CCN1C[C@@H]1CCOC(C)(C)C1 ZINC001207354286 959225266 /nfs/dbraw/zinc/22/52/66/959225266.db2.gz SYOJNXJMYIWABS-NWDGAFQWSA-N 0 1 239.359 2.245 20 0 BEADMN CCCC(=O)NC[C@@H]1CCCN1C[C@H](F)CC ZINC001267259954 959315794 /nfs/dbraw/zinc/31/57/94/959315794.db2.gz UBSUCVVVVMALCG-NEPJUHHUSA-N 0 1 244.354 2.115 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2(CC)CC2)n[nH]1 ZINC001327129427 972428239 /nfs/dbraw/zinc/42/82/39/972428239.db2.gz PMLQKMIUZNSJFT-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN CCCO[C@@H]1CCN(Cc2[nH]c(C)nc2C)C1 ZINC000724777827 959442596 /nfs/dbraw/zinc/44/25/96/959442596.db2.gz IZBZYRYJZXHIDD-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1ncc(CN2CCC[C@H](C(F)(F)F)C2)[nH]1 ZINC000724775616 959445542 /nfs/dbraw/zinc/44/55/42/959445542.db2.gz AJRVPDDGMNSOED-VIFPVBQESA-N 0 1 247.264 2.492 20 0 BEADMN Cc1ncc(CN2CC(C)(C)OC(C)(C)C2)[nH]1 ZINC000724777588 959446587 /nfs/dbraw/zinc/44/65/87/959446587.db2.gz AYIFYZIPNTZMPX-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN COc1cccc(CCOC2CN(C(C)C)C2)c1 ZINC001222318436 972438326 /nfs/dbraw/zinc/43/83/26/972438326.db2.gz LOAXUOHGPGGVCF-UHFFFAOYSA-N 0 1 249.354 2.347 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+](C)CC1CCCC1 ZINC000215686486 959758186 /nfs/dbraw/zinc/75/81/86/959758186.db2.gz RRFMGIKGVDFCSM-YFHOEESVSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000215689941 959760521 /nfs/dbraw/zinc/76/05/21/959760521.db2.gz UTGONAMBALVCDA-ISHASMORSA-N 0 1 211.305 2.280 20 0 BEADMN O=C([O-])c1coc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000216799334 959766115 /nfs/dbraw/zinc/76/61/15/959766115.db2.gz VQWPMBIQZVXDPM-UHFFFAOYSA-N 0 1 246.266 2.101 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@@H]1C(C)C ZINC000216652552 959767098 /nfs/dbraw/zinc/76/70/98/959767098.db2.gz DWSJMCAFPCQNNG-ZJRUKIMVSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCCCC[C@H]1C ZINC000216989811 959768707 /nfs/dbraw/zinc/76/87/07/959768707.db2.gz IREQHLWZDJVSCB-HIJJYWJESA-N 0 1 211.305 2.282 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1ccccc1F ZINC000924564875 959831651 /nfs/dbraw/zinc/83/16/51/959831651.db2.gz SPPPFYDUUGWCBX-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN CC=CC=CC(=O)NCc1[nH]nc2ccccc21 ZINC001144000904 972467511 /nfs/dbraw/zinc/46/75/11/972467511.db2.gz CUISFRBMINYXKZ-DSXPNFDZSA-N 0 1 241.294 2.311 20 0 BEADMN CC[N@H+]1CCC[C@H](Nc2cccc(C(=O)[O-])c2)C1 ZINC000227669808 959964911 /nfs/dbraw/zinc/96/49/11/959964911.db2.gz DNKCBAZMQXFOGZ-ZDUSSCGKSA-N 0 1 248.326 2.281 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000227999627 959979021 /nfs/dbraw/zinc/97/90/21/959979021.db2.gz IFINDUMMVMIJLG-ALTINICFSA-N 0 1 211.305 2.138 20 0 BEADMN COc1cccc(CCN2CCOC(C)(C)C2)c1 ZINC001207428553 959982316 /nfs/dbraw/zinc/98/23/16/959982316.db2.gz HFMKNEAIKZCHDP-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)[C@H](N)c1cc([C@@H]2CCCO2)no1 ZINC000694885782 960025216 /nfs/dbraw/zinc/02/52/16/960025216.db2.gz UXDMOPGHIZUMBD-ONGXEEELSA-N 0 1 210.277 2.182 20 0 BEADMN Cc1nonc1CN(C(C)C)C1CCC1 ZINC000686006902 960036532 /nfs/dbraw/zinc/03/65/32/960036532.db2.gz UTZKCBWJYCNDKZ-UHFFFAOYSA-N 0 1 209.293 2.141 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361283 960146256 /nfs/dbraw/zinc/14/62/56/960146256.db2.gz OUMKZIGKSHUOLC-NEPJUHHUSA-N 0 1 223.316 2.424 20 0 BEADMN Cn1ncc(CNCCCC2CCCCC2)n1 ZINC000395154716 960217028 /nfs/dbraw/zinc/21/70/28/960217028.db2.gz PQDMAGMQEZJWIC-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN c1c[nH]c(CN2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000709059189 960242302 /nfs/dbraw/zinc/24/23/02/960242302.db2.gz HNWOITQOAYVJBX-NEPJUHHUSA-N 0 1 219.332 2.422 20 0 BEADMN CN(C)/C=C/c1ccncc1NC(C)(C)CCO ZINC001167741095 960388747 /nfs/dbraw/zinc/38/87/47/960388747.db2.gz YHNYZBBUMOAMRK-RMKNXTFCSA-N 0 1 249.358 2.187 20 0 BEADMN CN(Cc1cccc2ccncc21)C1(C)COC1 ZINC001140644534 960475719 /nfs/dbraw/zinc/47/57/19/960475719.db2.gz REZLBKVWEMAHLV-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN OCc1ccc(CN2CCC[C@H](C(F)F)C2)o1 ZINC001140682209 960493205 /nfs/dbraw/zinc/49/32/05/960493205.db2.gz OJGKBXHFUCMLAY-VIFPVBQESA-N 0 1 245.269 2.249 20 0 BEADMN c1cc(CN2CCC[C@@H]2c2cnccn2)c[nH]1 ZINC001140707554 960518234 /nfs/dbraw/zinc/51/82/34/960518234.db2.gz RNRZUHQFNVDSGT-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2cc(C)on2)n[nH]1 ZINC001203070343 960617079 /nfs/dbraw/zinc/61/70/79/960617079.db2.gz PGXKTYNIWPHTQS-ZDUSSCGKSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1cc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC001203070362 960622259 /nfs/dbraw/zinc/62/22/59/960622259.db2.gz QHWHZMTZSFRLQA-OLZOCXBDSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(CN2CC[C@H](CF)C(F)(F)C2)n[nH]1 ZINC001203070351 960628699 /nfs/dbraw/zinc/62/86/99/960628699.db2.gz PMPOQNAKHRLIET-SECBINFHSA-N 0 1 247.264 2.145 20 0 BEADMN CCN(Cc1cc(C)[nH]n1)Cc1cccnc1 ZINC001203077003 960687434 /nfs/dbraw/zinc/68/74/34/960687434.db2.gz NPFJHTAFLOSUNX-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN COc1ccccc1CC[N@@H+](C)Cc1cnco1 ZINC001140932490 960710794 /nfs/dbraw/zinc/71/07/94/960710794.db2.gz QAJFPVGDOGFYHK-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccccc1CCN(C)Cc1cnco1 ZINC001140932490 960710801 /nfs/dbraw/zinc/71/08/01/960710801.db2.gz QAJFPVGDOGFYHK-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccc(CCN(C)Cc2cnco2)cc1 ZINC001140932704 960714259 /nfs/dbraw/zinc/71/42/59/960714259.db2.gz XGHGPEILDLMWGM-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN c1ncc(CN2CCC(c3cccnc3)CC2)o1 ZINC001140933628 960714268 /nfs/dbraw/zinc/71/42/68/960714268.db2.gz AJURSGMPZVBKDA-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1cc(CN(C)Cc2ccc(C)nc2)n[nH]1 ZINC001203081340 960732211 /nfs/dbraw/zinc/73/22/11/960732211.db2.gz PFBHGHLOYFVYHX-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN c1coc(CN2CCC3(CCCC3)C2)n1 ZINC001141007258 960809919 /nfs/dbraw/zinc/80/99/19/960809919.db2.gz DWIVGEXSWQCXFO-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN Cc1cc(N)nc(N2CC3(CCC3)C[C@H]2C)n1 ZINC000893498494 960833125 /nfs/dbraw/zinc/83/31/25/960833125.db2.gz PFUGGPVCVHYJNU-SNVBAGLBSA-N 0 1 232.331 2.136 20 0 BEADMN CCCCc1ncc(CN2CC[C@]23CCOC3)[nH]1 ZINC001141073853 960856883 /nfs/dbraw/zinc/85/68/83/960856883.db2.gz MNQFPEZAOXSSPY-CQSZACIVSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1ncc(CN2CCSCC2)[nH]1 ZINC001141069251 960860094 /nfs/dbraw/zinc/86/00/94/960860094.db2.gz XGZOMJDAEGWNDY-UHFFFAOYSA-N 0 1 239.388 2.301 20 0 BEADMN CCCCc1ncc(CN2C[C@@H](F)[C@@H](F)C2)[nH]1 ZINC001141067749 960862060 /nfs/dbraw/zinc/86/20/60/960862060.db2.gz MMVSXICCLLXNKG-PHIMTYICSA-N 0 1 243.301 2.244 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(F)c1 ZINC001141191699 960920621 /nfs/dbraw/zinc/92/06/21/960920621.db2.gz RMXPREZSSRBGCR-BXUZGUMPSA-N 0 1 237.318 2.337 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C)[C@H](O)C2)c(F)c1 ZINC001141191699 960920658 /nfs/dbraw/zinc/92/06/58/960920658.db2.gz RMXPREZSSRBGCR-BXUZGUMPSA-N 0 1 237.318 2.337 20 0 BEADMN CCCCC[C@H](OCc1nn[nH]n1)C(C)C ZINC001223026959 960942551 /nfs/dbraw/zinc/94/25/51/960942551.db2.gz KLNORKZPUZVUIQ-JTQLQIEISA-N 0 1 226.324 2.321 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)C[C@@H]2C)c(F)c1 ZINC001141196668 960942931 /nfs/dbraw/zinc/94/29/31/960942931.db2.gz SRLQYHRYNWXXBS-WCQYABFASA-N 0 1 237.318 2.479 20 0 BEADMN CCCOC1CCN(Cc2cnc(C)nc2)CC1 ZINC001203111248 961083737 /nfs/dbraw/zinc/08/37/37/961083737.db2.gz AANLSTZRZDSVMJ-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3c(n2)COCC3)CC1 ZINC001141526349 961094801 /nfs/dbraw/zinc/09/48/01/961094801.db2.gz DKECWORCBQIWOX-GFCCVEGCSA-N 0 1 249.358 2.035 20 0 BEADMN CS/C=C/C(=O)Nc1ccc(F)c(F)c1O ZINC001141880214 961170333 /nfs/dbraw/zinc/17/03/33/961170333.db2.gz REHBTCTWXXMCCY-SNAWJCMRSA-N 0 1 245.250 2.486 20 0 BEADMN Cc1nn(C(C)(C)C)c(C)c1CN(C)C ZINC001142155762 961285594 /nfs/dbraw/zinc/28/55/94/961285594.db2.gz SQBMOIVHKYKFSG-UHFFFAOYSA-N 0 1 209.337 2.317 20 0 BEADMN CCc1cc(CN2CCCC[C@@H]2COC)on1 ZINC001203211413 961307699 /nfs/dbraw/zinc/30/76/99/961307699.db2.gz BVYFHQBGQBIUKF-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN COC(=O)c1ccc(NC=N)c2cccnc12 ZINC001167868012 961357000 /nfs/dbraw/zinc/35/70/00/961357000.db2.gz CXMGYPWBMBJLLZ-UHFFFAOYSA-N 0 1 229.239 2.040 20 0 BEADMN CC(C)/C=C/C(=O)N1CCN(C(C)(C)C)CC1 ZINC001142659837 961563332 /nfs/dbraw/zinc/56/33/32/961563332.db2.gz WEJXLZMZCATOLC-VOTSOKGWSA-N 0 1 238.375 2.141 20 0 BEADMN F[C@@H]1CN(Cc2cccc3nc[nH]c32)C[C@@H]1F ZINC001142676804 961605607 /nfs/dbraw/zinc/60/56/07/961605607.db2.gz RCPRLJANGPHODO-AOOOYVTPSA-N 0 1 237.253 2.055 20 0 BEADMN F[C@@H]1CN(Cc2cccc3nc[nH]c32)C[C@H]1F ZINC001142676805 961609820 /nfs/dbraw/zinc/60/98/20/961609820.db2.gz RCPRLJANGPHODO-NXEZZACHSA-N 0 1 237.253 2.055 20 0 BEADMN CC(=O)C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001142698948 961643602 /nfs/dbraw/zinc/64/36/02/961643602.db2.gz DORHPKXWVMJIBX-UHFFFAOYSA-N 0 1 248.065 2.227 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@](C)(O)C2)s1 ZINC001139809443 961668626 /nfs/dbraw/zinc/66/86/26/961668626.db2.gz XQSUAFPKKKMGIS-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN COc1nonc1Nc1cc(C2CC2)cnc1C ZINC001213491845 961696194 /nfs/dbraw/zinc/69/61/94/961696194.db2.gz SAGSLIGTUFFVLU-UHFFFAOYSA-N 0 1 246.270 2.403 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C(F)F)cc(F)c12 ZINC001142788817 961749382 /nfs/dbraw/zinc/74/93/82/961749382.db2.gz KUUHTRGRGNCJTD-UHFFFAOYSA-N 0 1 243.188 2.214 20 0 BEADMN CCN(CC)Cc1cnc2ccc(Cl)nn12 ZINC001142982418 961860556 /nfs/dbraw/zinc/86/05/56/961860556.db2.gz PIAJFNHAEOSCFB-UHFFFAOYSA-N 0 1 238.722 2.225 20 0 BEADMN Cn1nc(-c2ccccc2)cc1CN1CC=CC1 ZINC001143005012 961862243 /nfs/dbraw/zinc/86/22/43/961862243.db2.gz SYIOYHWIHPZXON-UHFFFAOYSA-N 0 1 239.322 2.459 20 0 BEADMN Cc1cc(C)c(-n2cncc2N)c(C)c1 ZINC000199103689 961877364 /nfs/dbraw/zinc/87/73/64/961877364.db2.gz RZRZMOSWFBTDMM-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001137736166 961878862 /nfs/dbraw/zinc/87/88/62/961878862.db2.gz BPVWMNYTTORXRC-DCAQKATOSA-N 0 1 224.254 2.011 20 0 BEADMN CCOCC[C@H](C)NCc1ncc(F)cc1F ZINC001172411790 974676223 /nfs/dbraw/zinc/67/62/23/974676223.db2.gz OQJFOGLELWQPFY-VIFPVBQESA-N 0 1 244.285 2.265 20 0 BEADMN C[C@@H]1COCCN(Cc2cc3cccnc3[nH]2)C1 ZINC001143211401 961953594 /nfs/dbraw/zinc/95/35/94/961953594.db2.gz BKAZOKJSRDUVSY-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN FC[C@@H]1C[C@H](F)CN1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167931855 962063559 /nfs/dbraw/zinc/06/35/59/962063559.db2.gz QARKOIKROSKZJV-SSRBZLIGSA-N 0 1 201.260 2.167 20 0 BEADMN CN(CC(=O)OC(C)(C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167927052 962019731 /nfs/dbraw/zinc/01/97/31/962019731.db2.gz KYDVYLLBNZZDRL-JGPRNRPPSA-N 0 1 225.332 2.058 20 0 BEADMN COC(C)(C)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001143317353 962021512 /nfs/dbraw/zinc/02/15/12/962021512.db2.gz KOIOIXACELNLPY-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN COc1ccccc1CN1C[C@H]2CC[C@@H](C1)C2=O ZINC001203434826 962120649 /nfs/dbraw/zinc/12/06/49/962120649.db2.gz RWWPYDRZEAGWJV-BETUJISGSA-N 0 1 245.322 2.106 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC001151176098 962256992 /nfs/dbraw/zinc/25/69/92/962256992.db2.gz BCSMJQKYLMQCRL-GFCCVEGCSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@H](CC1CCC1)Nc1ccnc(N)n1 ZINC000710312693 962367058 /nfs/dbraw/zinc/36/70/58/962367058.db2.gz FOWNBTSIKKFPPJ-MRVPVSSYSA-N 0 1 206.293 2.049 20 0 BEADMN CC[C@@H](C)NC(=O)c1nc2cccc(C)c2[nH]1 ZINC001151992825 962370153 /nfs/dbraw/zinc/37/01/53/962370153.db2.gz QOKGVYTYIDNYLO-SECBINFHSA-N 0 1 231.299 2.400 20 0 BEADMN CC(C)C1(O)CCN(C/C=C\Cl)CC1 ZINC000710581391 962416143 /nfs/dbraw/zinc/41/61/43/962416143.db2.gz PIUHGGJVMLYKLE-UTCJRWHESA-N 0 1 217.740 2.222 20 0 BEADMN CC[C@H](C)CC(=O)NC[C@@H](C)N(CC)CCF ZINC001153001463 962514014 /nfs/dbraw/zinc/51/40/14/962514014.db2.gz SDEUGICNOZACHA-NWDGAFQWSA-N 0 1 246.370 2.219 20 0 BEADMN CC/C(C)=C/C(=O)NC[C@@H](C)N(CC)CCF ZINC001153186949 962542772 /nfs/dbraw/zinc/54/27/72/962542772.db2.gz HXTWLGNUXFHMNH-LMMOQWNQSA-N 0 1 244.354 2.139 20 0 BEADMN O=C(Nc1cnoc1)c1nc2ccccc2o1 ZINC001153572971 962605395 /nfs/dbraw/zinc/60/53/95/962605395.db2.gz HGWDQYBCNVVGHZ-UHFFFAOYSA-N 0 1 229.195 2.068 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC(C)(C)C2)n[nH]1 ZINC001154315931 962750097 /nfs/dbraw/zinc/75/00/97/962750097.db2.gz GUCGLERTEVNNHW-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN CC(C)N(C)C(=O)c1[nH]nc2cc(F)ccc21 ZINC001154342191 962758537 /nfs/dbraw/zinc/75/85/37/962758537.db2.gz KHJYNNXVKPZKEL-UHFFFAOYSA-N 0 1 235.262 2.182 20 0 BEADMN O=C1SCC[C@@H]1Nc1cncc2cc[nH]c21 ZINC001167954310 962774483 /nfs/dbraw/zinc/77/44/83/962774483.db2.gz AALSUCGGWBXDQD-QMMMGPOBSA-N 0 1 233.296 2.007 20 0 BEADMN CCCC(=O)N(C)C1CN(CCCC(C)C)C1 ZINC001269744553 962780382 /nfs/dbraw/zinc/78/03/82/962780382.db2.gz DDXCXUMDVSVVRI-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2COC[C@@H]2C)n1 ZINC000688050549 962845816 /nfs/dbraw/zinc/84/58/16/962845816.db2.gz UNAGXSCYGFIFOX-UJNFCWOMSA-N 0 1 226.345 2.137 20 0 BEADMN COc1cc2[nH]ncc2cc1C(=O)N(C)C(C)C ZINC001154784265 962845919 /nfs/dbraw/zinc/84/59/19/962845919.db2.gz QMLGETORVKOWPB-UHFFFAOYSA-N 0 1 247.298 2.052 20 0 BEADMN CC[C@@H]1CCN(C(=O)CCc2cc(C)[nH]n2)[C@@H]1C ZINC001154802680 962851976 /nfs/dbraw/zinc/85/19/76/962851976.db2.gz WYBIVFJURAXSBL-VXGBXAGGSA-N 0 1 249.358 2.298 20 0 BEADMN CC[C@H]1CCN(C(=O)CCc2cc(C)[nH]n2)[C@H]1C ZINC001154802679 962853289 /nfs/dbraw/zinc/85/32/89/962853289.db2.gz WYBIVFJURAXSBL-RYUDHWBXSA-N 0 1 249.358 2.298 20 0 BEADMN Cc1cnc(CCNc2cc(C)c(C)cn2)nc1 ZINC001154868492 962875697 /nfs/dbraw/zinc/87/56/97/962875697.db2.gz LJOOLAJHGZNWOW-UHFFFAOYSA-N 0 1 242.326 2.451 20 0 BEADMN O[C@H](CNc1ccc2c(n1)CCC2)c1ccco1 ZINC001154875685 962879940 /nfs/dbraw/zinc/87/99/40/962879940.db2.gz REBVVRIKVQNLDQ-GFCCVEGCSA-N 0 1 244.294 2.309 20 0 BEADMN Cc1cnc(NC[C@H](O)c2ccco2)cc1C ZINC001154878228 962880996 /nfs/dbraw/zinc/88/09/96/962880996.db2.gz NDDBQPFTNPIPMJ-NSHDSACASA-N 0 1 232.283 2.437 20 0 BEADMN Cc1ccc(NC[C@@H](O)c2ccco2)nc1C ZINC001154875159 962881848 /nfs/dbraw/zinc/88/18/48/962881848.db2.gz JBJILCBNJVSZCQ-LLVKDONJSA-N 0 1 232.283 2.437 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1ncc2c(n1)CNC2 ZINC001155071806 962962215 /nfs/dbraw/zinc/96/22/15/962962215.db2.gz CIAOHXWKYORVKC-QWRGUYRKSA-N 0 1 246.358 2.318 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000300144810 962985639 /nfs/dbraw/zinc/98/56/39/962985639.db2.gz TYWACZZNSQUKOE-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000300195932 962989154 /nfs/dbraw/zinc/98/91/54/962989154.db2.gz HNNAQDNQKVTGMW-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CN2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206654763 963035020 /nfs/dbraw/zinc/03/50/20/963035020.db2.gz DDKPDGAAWNKIGA-GFCCVEGCSA-N 0 1 240.297 2.163 20 0 BEADMN Cc1cc(C)nc(N2C[C@@H](C)OC[C@H]2C)c1 ZINC001155415639 963071971 /nfs/dbraw/zinc/07/19/71/963071971.db2.gz WZJWRURPZWJQLO-VXGBXAGGSA-N 0 1 220.316 2.312 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cccnc1Cl ZINC000303742460 963074613 /nfs/dbraw/zinc/07/46/13/963074613.db2.gz RYRSFPMQTPAHFL-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN Cc1cnc(NCc2ccccc2N)c(N)c1 ZINC001155984610 963227612 /nfs/dbraw/zinc/22/76/12/963227612.db2.gz RGTHZFIAFGBYQW-UHFFFAOYSA-N 0 1 228.299 2.167 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307823082 963229598 /nfs/dbraw/zinc/22/95/98/963229598.db2.gz SGEHWNZJBPRSCD-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C/C=C/C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001156114832 963257487 /nfs/dbraw/zinc/25/74/87/963257487.db2.gz UVINLGFPFIRDCY-NSCUHMNNSA-N 0 1 246.245 2.125 20 0 BEADMN COC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000696572794 963258466 /nfs/dbraw/zinc/25/84/66/963258466.db2.gz LXZHJIZBVHDQKJ-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN Cc1csc(CN2CC[C@H](C(C)(C)O)C2)n1 ZINC000721805194 963261645 /nfs/dbraw/zinc/26/16/45/963261645.db2.gz VHLQATOTHLRRKA-JTQLQIEISA-N 0 1 240.372 2.044 20 0 BEADMN CCOC[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928474 963406705 /nfs/dbraw/zinc/40/67/05/963406705.db2.gz LUGUHVIWSSGHAL-SECBINFHSA-N 0 1 220.272 2.367 20 0 BEADMN Cc1ccc(NCc2cccnn2)nc1C ZINC001156604955 963407610 /nfs/dbraw/zinc/40/76/10/963407610.db2.gz NFPLYXKHVOYAOA-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN C[C@@H]1CN(Cc2cscn2)CCC[C@]1(C)O ZINC001137591346 963434612 /nfs/dbraw/zinc/43/46/12/963434612.db2.gz LWVIMFVOCVHRRK-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@]1(CO)CCCN(Cc2cscn2)CC1 ZINC001137591383 963436875 /nfs/dbraw/zinc/43/68/75/963436875.db2.gz OSKQKLGXSUDDOY-GFCCVEGCSA-N 0 1 240.372 2.128 20 0 BEADMN CCCN(C)c1nc(C)cc(N2CCCC2)n1 ZINC001156872292 963476304 /nfs/dbraw/zinc/47/63/04/963476304.db2.gz RWIQCPOQPNKJCH-UHFFFAOYSA-N 0 1 234.347 2.231 20 0 BEADMN F[C@H]1CCCC[C@@H]1Oc1ncnc2nc[nH]c21 ZINC001227534974 963532468 /nfs/dbraw/zinc/53/24/68/963532468.db2.gz PUUKYVXSWOXJTL-YUMQZZPRSA-N 0 1 236.250 2.012 20 0 BEADMN CC(C)c1ncc(CNC(=O)c2ccccc2)[nH]1 ZINC001157120285 963535731 /nfs/dbraw/zinc/53/57/31/963535731.db2.gz UABVGTMNOZGXLW-UHFFFAOYSA-N 0 1 243.310 2.463 20 0 BEADMN CC[C@@H](F)CN(C)C[C@H]1CCCCN1C(C)=O ZINC001157401136 963598333 /nfs/dbraw/zinc/59/83/33/963598333.db2.gz YBNRSGOPASZRQO-CHWSQXEVSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H](O)[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000342224296 963625922 /nfs/dbraw/zinc/62/59/22/963625922.db2.gz NCSVCXFJYAQGED-QWRGUYRKSA-N 0 1 246.310 2.201 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000342225214 963627284 /nfs/dbraw/zinc/62/72/84/963627284.db2.gz NCSVCXFJYAQGED-WDEREUQCSA-N 0 1 246.310 2.201 20 0 BEADMN C=Cc1ccc(NC2CN(C(C)C)C2)nc1 ZINC001157532074 963639625 /nfs/dbraw/zinc/63/96/25/963639625.db2.gz PZNOMTBTNICMMX-UHFFFAOYSA-N 0 1 217.316 2.229 20 0 BEADMN CC(=O)c1ncccc1O[C@H]1CCN(C(C)C)C1 ZINC001227978972 963641945 /nfs/dbraw/zinc/64/19/45/963641945.db2.gz VPOKRDAQDYRKJH-LBPRGKRZSA-N 0 1 248.326 2.146 20 0 BEADMN CSc1ccnc(NC2CN(C(C)C)C2)c1 ZINC001157529664 963642576 /nfs/dbraw/zinc/64/25/76/963642576.db2.gz KJTRXVAGMMKWMP-UHFFFAOYSA-N 0 1 237.372 2.308 20 0 BEADMN Cc1cnc(NC[C@H]2C[C@@](C)(O)C2)cc1C ZINC001157559859 963661059 /nfs/dbraw/zinc/66/10/59/963661059.db2.gz HJMLBSYKQCRLNR-BJHJDKERSA-N 0 1 220.316 2.271 20 0 BEADMN Clc1cc2nc[nH]c2nc1NC1CSC1 ZINC001157576862 963669099 /nfs/dbraw/zinc/66/90/99/963669099.db2.gz SQBWIVMLLSVCEL-UHFFFAOYSA-N 0 1 240.719 2.139 20 0 BEADMN Cc1cnc(NCc2cnc(C)nc2)c(C)c1 ZINC001157603503 963675369 /nfs/dbraw/zinc/67/53/69/963675369.db2.gz XQXYSSIOQUQDJM-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN Cc1cnc(CN)n1-c1cc2ccsc2cn1 ZINC001158164839 963816666 /nfs/dbraw/zinc/81/66/66/963816666.db2.gz PRRKVXPWYJKFFM-UHFFFAOYSA-N 0 1 244.323 2.249 20 0 BEADMN CCCNc1ncnc2[nH]c(C(C)(C)C)nc21 ZINC001168132345 963821284 /nfs/dbraw/zinc/82/12/84/963821284.db2.gz OMWUMIBWKXDZKH-UHFFFAOYSA-N 0 1 233.319 2.472 20 0 BEADMN CN1CCC[C@H](Oc2cc(Cl)cnc2F)C1 ZINC001228573780 963861774 /nfs/dbraw/zinc/86/17/74/963861774.db2.gz ZJKZNDHSXIHEPD-VIFPVBQESA-N 0 1 244.697 2.347 20 0 BEADMN O=C(NC/C=C\Cl)c1cccc2nc[nH]c21 ZINC001158553014 963887636 /nfs/dbraw/zinc/88/76/36/963887636.db2.gz UBEPASNGNFUZKM-DJWKRKHSSA-N 0 1 235.674 2.045 20 0 BEADMN CCCCC(=O)[C@H](C)Nc1cc(N)ccn1 ZINC001158612891 963895087 /nfs/dbraw/zinc/89/50/87/963895087.db2.gz VPRHZRSEZXRRFU-VIFPVBQESA-N 0 1 221.304 2.224 20 0 BEADMN CO[C@@H](C)CNc1cc(OC(C)C)ccn1 ZINC001158808049 963931625 /nfs/dbraw/zinc/93/16/25/963931625.db2.gz IKTLRPBKQCFDDK-JTQLQIEISA-N 0 1 224.304 2.316 20 0 BEADMN C1=CCC(Oc2nnc3c[nH]ccc2-3)C1 ZINC001228989080 963935444 /nfs/dbraw/zinc/93/54/44/963935444.db2.gz DRPWAECWXXZWHU-UHFFFAOYSA-N 0 1 201.229 2.055 20 0 BEADMN COc1ccnc(N2CC[C@@H](OC)C[C@H]2C)c1 ZINC001158893370 963954840 /nfs/dbraw/zinc/95/48/40/963954840.db2.gz KOTZGXBJOLUWPM-ZYHUDNBSSA-N 0 1 236.315 2.094 20 0 BEADMN COC(C)(CNc1ncc(C)cc1C)OC ZINC001159377657 964073126 /nfs/dbraw/zinc/07/31/26/964073126.db2.gz OPQZSTFGHLISKW-UHFFFAOYSA-N 0 1 224.304 2.119 20 0 BEADMN COc1ccc2c(c1)C[C@@H](N1CC[C@@H](F)C1)C2 ZINC001168263201 964096332 /nfs/dbraw/zinc/09/63/32/964096332.db2.gz NBNXBLNXOYKRDP-OLZOCXBDSA-N 0 1 235.302 2.206 20 0 BEADMN Cc1cnc(NCc2nccc(Cl)n2)c(N)c1 ZINC001159478715 964108553 /nfs/dbraw/zinc/10/85/53/964108553.db2.gz AXDYJJQIMCIHNV-UHFFFAOYSA-N 0 1 249.705 2.028 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)OCC2 ZINC001206671872 964131814 /nfs/dbraw/zinc/13/18/14/964131814.db2.gz HPRQOANVMOBCLJ-UHFFFAOYSA-N 0 1 229.283 2.407 20 0 BEADMN CCCC=Nc1ccc(C(=O)OC(C)C)nn1 ZINC001159667770 964139268 /nfs/dbraw/zinc/13/92/68/964139268.db2.gz GYZGPAUCWFMKII-VMPITWQZSA-N 0 1 235.287 2.377 20 0 BEADMN CCCC=Nc1ncnc2cc(OC)cnc21 ZINC001159668481 964139818 /nfs/dbraw/zinc/13/98/18/964139818.db2.gz BHGYOOSLBKHGOU-SNAWJCMRSA-N 0 1 230.271 2.369 20 0 BEADMN CCC=CNc1nc(Cl)nc2c1CNCC2 ZINC001159662510 964140190 /nfs/dbraw/zinc/14/01/90/964140190.db2.gz RICLZCYYGGMDNT-HWKANZROSA-N 0 1 238.722 2.111 20 0 BEADMN CCOc1ccnc(N[C@@H]2CCOC[C@@H]2C)c1 ZINC001159711883 964161322 /nfs/dbraw/zinc/16/13/22/964161322.db2.gz USFTUAIBJGOTKU-CMPLNLGQSA-N 0 1 236.315 2.317 20 0 BEADMN COC(CN(C)Cc1csc(C)c1)OC ZINC000714670087 964298626 /nfs/dbraw/zinc/29/86/26/964298626.db2.gz RRFBMSMMGSXIAU-UHFFFAOYSA-N 0 1 229.345 2.107 20 0 BEADMN COc1ccc2c(c1)C[C@H](N(C)CCF)C2 ZINC001168290692 964388145 /nfs/dbraw/zinc/38/81/45/964388145.db2.gz BCYFMKUACDCWBF-GFCCVEGCSA-N 0 1 223.291 2.064 20 0 BEADMN CC(C)N1CC(Nc2cc3cc[nH]c3cn2)C1 ZINC001168311579 964409823 /nfs/dbraw/zinc/40/98/23/964409823.db2.gz CFKDQSJBEOIKBG-UHFFFAOYSA-N 0 1 230.315 2.067 20 0 BEADMN Cc1c2nc[nH]c2ccc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168345386 964487291 /nfs/dbraw/zinc/48/72/91/964487291.db2.gz DCQYQMGDGZDYJM-WJONMLJTSA-N 0 1 245.326 2.444 20 0 BEADMN CC1(C)CC[C@H](Nc2ncc3c(n2)CNC3)C1 ZINC001161034131 964492319 /nfs/dbraw/zinc/49/23/19/964492319.db2.gz ZVSWHHVQEMTISO-JTQLQIEISA-N 0 1 232.331 2.070 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2[nH]cnc21 ZINC001213029240 964509763 /nfs/dbraw/zinc/50/97/63/964509763.db2.gz JHQTZASTSFSOBL-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ccccc1CNc1cccc(=O)n1C ZINC001161623919 964648152 /nfs/dbraw/zinc/64/81/52/964648152.db2.gz OIGNDSLFKONRFA-UHFFFAOYSA-N 0 1 228.295 2.306 20 0 BEADMN Cc1ccc(CNc2ccnc3[nH]cnc32)o1 ZINC001161769508 964747200 /nfs/dbraw/zinc/74/72/00/964747200.db2.gz QFDKSVNKCJXEFZ-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CCO[C@H]1CCC[C@@H](NCC(F)F)C1 ZINC000721264101 964783350 /nfs/dbraw/zinc/78/33/50/964783350.db2.gz XJMNRAVVLSSWAA-BDAKNGLRSA-N 0 1 207.264 2.189 20 0 BEADMN Cn1cc(CNc2cc3nc[nH]c3cc2F)cn1 ZINC001161856494 964792281 /nfs/dbraw/zinc/79/22/81/964792281.db2.gz AKDRMXLYALVJNA-UHFFFAOYSA-N 0 1 245.261 2.048 20 0 BEADMN Fc1cc2[nH]cnc2cc1NC1CSC1 ZINC001168367159 964805984 /nfs/dbraw/zinc/80/59/84/964805984.db2.gz HFZQEINZYJRANZ-UHFFFAOYSA-N 0 1 223.276 2.229 20 0 BEADMN Cc1cnc(NCc2nccnc2C)cc1C ZINC001162003566 964843232 /nfs/dbraw/zinc/84/32/32/964843232.db2.gz GIIUIOFYDSBTJK-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN CC[C@@H](C)COC1CCN(CCF)CC1 ZINC001224666025 964856817 /nfs/dbraw/zinc/85/68/17/964856817.db2.gz YXIXJESAIXDJTF-LLVKDONJSA-N 0 1 217.328 2.483 20 0 BEADMN Cc1ncc(CNc2ccnc3[nH]cnc32)s1 ZINC001162161270 964858656 /nfs/dbraw/zinc/85/86/56/964858656.db2.gz CHGJSHVGVBKAPD-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN FC1CC(Nc2ccncc2C(F)(F)F)C1 ZINC001162212275 964873145 /nfs/dbraw/zinc/87/31/45/964873145.db2.gz GEIAELNNOZMIAF-UHFFFAOYSA-N 0 1 234.196 2.435 20 0 BEADMN CC(C)(C)N1CC(Nc2ccc(C3CC3)nn2)C1 ZINC001162220899 964881111 /nfs/dbraw/zinc/88/11/11/964881111.db2.gz DFTBGLYOUWVPCD-UHFFFAOYSA-N 0 1 246.358 2.249 20 0 BEADMN CC(C)(C)N1CC(Nc2ccnc(C3CC3)n2)C1 ZINC001162225458 964884307 /nfs/dbraw/zinc/88/43/07/964884307.db2.gz HPOSGBWOGMHJRR-UHFFFAOYSA-N 0 1 246.358 2.249 20 0 BEADMN O[C@@H](CNc1cccn2cncc12)c1ccco1 ZINC001162262197 964894922 /nfs/dbraw/zinc/89/49/22/964894922.db2.gz DUQRAPIDKSRZDQ-LBPRGKRZSA-N 0 1 243.266 2.073 20 0 BEADMN Cc1nc2ccc(NCc3cnoc3C)nc2[nH]1 ZINC001162272105 964900701 /nfs/dbraw/zinc/90/07/01/964900701.db2.gz CDJGPHBPANQZFZ-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNc1cc2c(nn1)CNC2 ZINC001162526472 965027243 /nfs/dbraw/zinc/02/72/43/965027243.db2.gz QETROVPDVGYHKO-MNOVXSKESA-N 0 1 246.358 2.318 20 0 BEADMN Cc1ccnc(NC[C@H]2COc3cnccc32)c1 ZINC001162569863 965051061 /nfs/dbraw/zinc/05/10/61/965051061.db2.gz YDGYOHJDWGQEEQ-NSHDSACASA-N 0 1 241.294 2.373 20 0 BEADMN Cc1ccc(N[C@H]2CCC[C@H]2CO)nc1C ZINC001162603088 965074203 /nfs/dbraw/zinc/07/42/03/965074203.db2.gz FKDMYVJAKZWYKW-RYUDHWBXSA-N 0 1 220.316 2.271 20 0 BEADMN Cc1ccnc(NCCC(=O)N(C)C2CC2)c1C ZINC001162624036 965080008 /nfs/dbraw/zinc/08/00/08/965080008.db2.gz NWZYODPEJGXGGP-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1ccc(CNc2ccc3nc[nH]c3n2)cn1 ZINC001162866140 965199014 /nfs/dbraw/zinc/19/90/14/965199014.db2.gz ZQRIVYGVQNVQAR-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000251522201 965353635 /nfs/dbraw/zinc/35/36/35/965353635.db2.gz AUBSQOORIOZNJT-QJPTWQEYSA-N 0 1 225.332 2.060 20 0 BEADMN CCN(Cc1cnc(C)[nH]1)Cc1ccccn1 ZINC001232464027 965358463 /nfs/dbraw/zinc/35/84/63/965358463.db2.gz SEKZENIFBMHVAS-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN C[C@@H]1CN(Cc2cc3ccoc3cn2)CC[C@@H]1O ZINC001232550292 965381818 /nfs/dbraw/zinc/38/18/18/965381818.db2.gz RXUSHAWKGUVZON-MFKMUULPSA-N 0 1 246.310 2.031 20 0 BEADMN NCc1nccnc1NCCC1CCCCC1 ZINC001120882150 965444296 /nfs/dbraw/zinc/44/42/96/965444296.db2.gz RQQWEJPGTFSVPC-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN CCOC(=O)c1cc2ccc(N(C)CC)nc2[nH]1 ZINC001163585313 965468803 /nfs/dbraw/zinc/46/88/03/965468803.db2.gz WFYJETDANAOCEV-UHFFFAOYSA-N 0 1 247.298 2.196 20 0 BEADMN CCCN(CC)c1nc(C)cc(N(C)CC)n1 ZINC001163600773 965472504 /nfs/dbraw/zinc/47/25/04/965472504.db2.gz PDCJLZWSTBHVFU-UHFFFAOYSA-N 0 1 236.363 2.477 20 0 BEADMN C[C@H]1CN([C@H]2CCc3cc(F)ccc3C2)CCO1 ZINC001168430324 965472999 /nfs/dbraw/zinc/47/29/99/965472999.db2.gz YJTJEHUTTCESRX-NHYWBVRUSA-N 0 1 249.329 2.404 20 0 BEADMN CCC1CCN(Cc2cncc(C)n2)CC1 ZINC001203164077 965473100 /nfs/dbraw/zinc/47/31/00/965473100.db2.gz QROCYLPGLPFNRE-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168430362 965473877 /nfs/dbraw/zinc/47/38/77/965473877.db2.gz YNOZZIKOZVSRIS-AWEZNQCLSA-N 0 1 235.302 2.204 20 0 BEADMN Cc1cc(N2CCCC2)nc(N(C)C(C)C)n1 ZINC001163618022 965483705 /nfs/dbraw/zinc/48/37/05/965483705.db2.gz ZYWLMCJQVHBXTL-UHFFFAOYSA-N 0 1 234.347 2.230 20 0 BEADMN CC(C)N(C)c1nc[nH]c2nc(=S)sc1-2 ZINC001163622386 965485718 /nfs/dbraw/zinc/48/57/18/965485718.db2.gz ITJUQVYDXQCGFO-UHFFFAOYSA-N 0 1 240.357 2.220 20 0 BEADMN CSCCCNc1cccc2[nH]nnc21 ZINC001163875697 965615731 /nfs/dbraw/zinc/61/57/31/965615731.db2.gz RTEYBLDAQWWKGR-UHFFFAOYSA-N 0 1 222.317 2.123 20 0 BEADMN CCOc1ccnc(N2CCCO[C@@H](C)C2)c1 ZINC001163961570 965661250 /nfs/dbraw/zinc/66/12/50/965661250.db2.gz ARBQSVBDBFPKGF-NSHDSACASA-N 0 1 236.315 2.096 20 0 BEADMN Cc1cc(N(C)C)ncc1NC[C@@H]1CC(C)(C)O1 ZINC001168456239 965766243 /nfs/dbraw/zinc/76/62/43/965766243.db2.gz LTXSMZSLXIOXCK-NSHDSACASA-N 0 1 249.358 2.435 20 0 BEADMN C[C@@H]1CCN(c2cccc(N(C)C)n2)C[C@H]1F ZINC001164174347 965776157 /nfs/dbraw/zinc/77/61/57/965776157.db2.gz ZIFHHJVVAXGTDY-GHMZBOCLSA-N 0 1 237.322 2.332 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@@H](O)[C@@H](C)C2)c1 ZINC001164216520 965799750 /nfs/dbraw/zinc/79/97/50/965799750.db2.gz JCPPAKNXTYOFIJ-WCQYABFASA-N 0 1 234.343 2.296 20 0 BEADMN CC[N@@H+]1CC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852439 965887241 /nfs/dbraw/zinc/88/72/41/965887241.db2.gz WASGIWWOFZODMH-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN CC[N@H+]1CC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852439 965887243 /nfs/dbraw/zinc/88/72/43/965887243.db2.gz WASGIWWOFZODMH-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN CCN(CC)C(=O)[C@@H](C)Nc1nc(C)ccc1C ZINC001164605835 965935119 /nfs/dbraw/zinc/93/51/19/965935119.db2.gz JAFJUJFWTKDYEY-GFCCVEGCSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1nc2ccc(NC[C@@H]3CCCCO3)nc2[nH]1 ZINC001165230650 965998716 /nfs/dbraw/zinc/99/87/16/965998716.db2.gz ZPNOUZBMQOGGHP-JTQLQIEISA-N 0 1 246.314 2.247 20 0 BEADMN Cc1nc2cncc(NC[C@@H]3CCCCO3)c2[nH]1 ZINC001165240174 966000442 /nfs/dbraw/zinc/00/04/42/966000442.db2.gz LQEFJFLMEPTZOL-JTQLQIEISA-N 0 1 246.314 2.247 20 0 BEADMN c1ncn2cccc(NC[C@@H]3CCCCO3)c12 ZINC001165239155 966004305 /nfs/dbraw/zinc/00/43/05/966004305.db2.gz BEWCVECQSWJUDU-NSHDSACASA-N 0 1 231.299 2.315 20 0 BEADMN Cc1ccc(N2CC[C@@]3(CCOC3)C2)nc1C ZINC001165249896 966007666 /nfs/dbraw/zinc/00/76/66/966007666.db2.gz BSKSRCQAJSJTBG-CQSZACIVSA-N 0 1 232.327 2.315 20 0 BEADMN Cc1cc(C)nc(N2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001165267426 966019017 /nfs/dbraw/zinc/01/90/17/966019017.db2.gz BAAIJVMLLPREOT-OLZOCXBDSA-N 0 1 232.327 2.171 20 0 BEADMN Cc1cnc(N2C[C@H]3[C@H](CC3(F)F)C2)c(N)c1 ZINC001165295170 966035923 /nfs/dbraw/zinc/03/59/23/966035923.db2.gz GLHUWQXLUHRMSS-BDAKNGLRSA-N 0 1 239.269 2.064 20 0 BEADMN Cc1cc(C)nc(N2CC3(C2)CCCOC3)c1 ZINC001165305273 966039590 /nfs/dbraw/zinc/03/95/90/966039590.db2.gz ULJFWNNTUCMZER-UHFFFAOYSA-N 0 1 232.327 2.315 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000699810840 966103748 /nfs/dbraw/zinc/10/37/48/966103748.db2.gz WFIGGDXNGCDWPK-MADCSZMMSA-N 0 1 245.244 2.228 20 0 BEADMN CCc1nnc(SCC23CC(C)(C2)OC3)[nH]1 ZINC001165482062 966110164 /nfs/dbraw/zinc/11/01/64/966110164.db2.gz OMUMYBBLBRJILU-UHFFFAOYSA-N 0 1 239.344 2.028 20 0 BEADMN CCc1n[nH]c(SCC23CC(C)(C2)OC3)n1 ZINC001165482062 966110167 /nfs/dbraw/zinc/11/01/67/966110167.db2.gz OMUMYBBLBRJILU-UHFFFAOYSA-N 0 1 239.344 2.028 20 0 BEADMN C[C@H](CCO)Nc1cc(OCC2CC2)ccn1 ZINC001165894987 966193124 /nfs/dbraw/zinc/19/31/24/966193124.db2.gz XUAUMAUNBPHPKE-SNVBAGLBSA-N 0 1 236.315 2.053 20 0 BEADMN CC(=O)c1ccnc(Cl)c1NC1=CCOC1 ZINC001203382565 966280172 /nfs/dbraw/zinc/28/01/72/966280172.db2.gz PIHYHTUKGSPBCO-UHFFFAOYSA-N 0 1 238.674 2.264 20 0 BEADMN Cc1cc(CN(C)c2cc(C)cc(C)n2)n(C)n1 ZINC001166597465 966320317 /nfs/dbraw/zinc/32/03/17/966320317.db2.gz VVMUISJOOAHFPE-UHFFFAOYSA-N 0 1 244.342 2.377 20 0 BEADMN CC(CC(=O)OC(C)C)=Nc1nccc(C)n1 ZINC001166763864 966404117 /nfs/dbraw/zinc/40/41/17/966404117.db2.gz PBLWFXQKBNCDMT-YFHOEESVSA-N 0 1 235.287 2.052 20 0 BEADMN CCC(=O)N1CCC[C@@H]1CN(C)C[C@@H](F)CC ZINC001485045114 966534377 /nfs/dbraw/zinc/53/43/77/966534377.db2.gz MCNCVZQSOLZYFM-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN CCC(=O)N1CCC[C@@H]1CN(C)C/C=C\Cl ZINC001485046532 966537662 /nfs/dbraw/zinc/53/76/62/966537662.db2.gz KBHCOODKDYRFMF-JPVGGKMYSA-N 0 1 244.766 2.072 20 0 BEADMN C[N@H+]1CCc2ccc(NC=CC(C)(C)O)cc2C1 ZINC001203226602 966571995 /nfs/dbraw/zinc/57/19/95/966571995.db2.gz HUPRLWJTSXZDNW-BQYQJAHWSA-N 0 1 246.354 2.371 20 0 BEADMN c1coc(CN2CCC(c3ncccn3)CC2)c1 ZINC001203285353 966596004 /nfs/dbraw/zinc/59/60/04/966596004.db2.gz IMRSXAUXCBZHMN-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1ccc(CN2CCC[C@@]3(CCO3)C2)o1 ZINC001203297524 966602223 /nfs/dbraw/zinc/60/22/23/966602223.db2.gz HWHMWUZUEUORHF-CYBMUJFWSA-N 0 1 221.300 2.343 20 0 BEADMN COc1ccccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001203438170 966648959 /nfs/dbraw/zinc/64/89/59/966648959.db2.gz WJAYAXIHMPRNGN-UKRRQHHQSA-N 0 1 247.338 2.306 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C)c(OC)c1 ZINC001203470791 966661917 /nfs/dbraw/zinc/66/19/17/966661917.db2.gz GOVRMAVAJIYABY-JTQLQIEISA-N 0 1 221.300 2.298 20 0 BEADMN Nc1cncn1-c1ccc(N2CCCCC2)cc1 ZINC001203717463 966749475 /nfs/dbraw/zinc/74/94/75/966749475.db2.gz COTRYTCJRNNMAY-UHFFFAOYSA-N 0 1 242.326 2.445 20 0 BEADMN CCOC(=O)C1CN(Cc2cc(C)ccc2C)C1 ZINC001203749856 966763469 /nfs/dbraw/zinc/76/34/69/966763469.db2.gz URIVZKONLANULY-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN COc1cc(CN2CC[C@@H]2C)ccc1OC(C)=O ZINC001203825137 966790950 /nfs/dbraw/zinc/79/09/50/966790950.db2.gz LJCMTDXFTJJABG-JTQLQIEISA-N 0 1 249.310 2.215 20 0 BEADMN COc1cccc(CN2CC3(CSC3)C2)c1 ZINC001203824709 966791496 /nfs/dbraw/zinc/79/14/96/966791496.db2.gz WQNJYMZJPWMKKH-UHFFFAOYSA-N 0 1 235.352 2.244 20 0 BEADMN COc1cc(CN2CC[C@H]2C)cc(OC)c1 ZINC001203851727 966794581 /nfs/dbraw/zinc/79/45/81/966794581.db2.gz BVPCSAQOTHVMLA-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN c1c[nH]c(CN2CCC(c3ncccn3)CC2)c1 ZINC001204010073 966846372 /nfs/dbraw/zinc/84/63/72/966846372.db2.gz KPHZRAYMDKRPKP-UHFFFAOYSA-N 0 1 242.326 2.184 20 0 BEADMN C[C@@H]1CN(Cc2ccc[nH]2)CCC1(F)F ZINC001204007874 966847640 /nfs/dbraw/zinc/84/76/40/966847640.db2.gz ROZSEKXEZWKIOI-SECBINFHSA-N 0 1 214.259 2.492 20 0 BEADMN CCN(Cc1sccc1C)C1CN(C)C1 ZINC001204024789 966858002 /nfs/dbraw/zinc/85/80/02/966858002.db2.gz NHDVMEGSAVJXQK-UHFFFAOYSA-N 0 1 224.373 2.192 20 0 BEADMN FC1(F)CO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001204035153 966860899 /nfs/dbraw/zinc/86/08/99/966860899.db2.gz UOVQLRMTVYQZBM-ZJUUUORDSA-N 0 1 245.294 2.214 20 0 BEADMN CCN(Cc1c[nH]c2ccccc12)C1COC1 ZINC001204048724 966869196 /nfs/dbraw/zinc/86/91/96/966869196.db2.gz PFDJKCPRVACYLH-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(c2)OCO3)CCCO1 ZINC001204051699 966871409 /nfs/dbraw/zinc/87/14/09/966871409.db2.gz URQFEJMHENWAAX-LLVKDONJSA-N 0 1 249.310 2.026 20 0 BEADMN Cc1cc(N[C@@H](CO)C(C)(C)C)nc2[nH]cnc21 ZINC001168552531 966873037 /nfs/dbraw/zinc/87/30/37/966873037.db2.gz MPGCWFLLTNBHNF-VIFPVBQESA-N 0 1 248.330 2.085 20 0 BEADMN Cc1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001204067082 966873979 /nfs/dbraw/zinc/87/39/79/966873979.db2.gz KRUSUYIIQNWTDR-UKRRQHHQSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2cccc(F)c2F)C1 ZINC001204193406 966925085 /nfs/dbraw/zinc/92/50/85/966925085.db2.gz IVZZENFSJSKTSS-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN C[N@H+](Cc1cc(F)ccc1F)CC1COC1 ZINC001204219891 966932834 /nfs/dbraw/zinc/93/28/34/966932834.db2.gz OYWAEDXHLMUELR-UHFFFAOYSA-N 0 1 227.254 2.043 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC1COC1 ZINC001204219891 966932837 /nfs/dbraw/zinc/93/28/37/966932837.db2.gz OYWAEDXHLMUELR-UHFFFAOYSA-N 0 1 227.254 2.043 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(F)c(F)c1 ZINC001204224337 966932899 /nfs/dbraw/zinc/93/28/99/966932899.db2.gz ULBXHKIPWVUAQW-ONGXEEELSA-N 0 1 241.281 2.310 20 0 BEADMN c1cc(C[N@H+]2CC[C@@]3(CCCO3)C2)co1 ZINC001204241959 966938594 /nfs/dbraw/zinc/93/85/94/966938594.db2.gz MXEVGLJELZLYRA-LBPRGKRZSA-N 0 1 207.273 2.035 20 0 BEADMN c1cc(CN2CCC[C@@]3(CCO3)C2)co1 ZINC001204245427 966940650 /nfs/dbraw/zinc/94/06/50/966940650.db2.gz OAFINHPPJSJNGM-GFCCVEGCSA-N 0 1 207.273 2.035 20 0 BEADMN COC(=O)[C@H]1CCC[N@@H+](Cc2ccoc2)CC1 ZINC001204247390 966947907 /nfs/dbraw/zinc/94/79/07/966947907.db2.gz KEVPZDJMLMPVAM-LBPRGKRZSA-N 0 1 237.299 2.055 20 0 BEADMN COC(=O)[C@H]1CCCN(Cc2ccoc2)CC1 ZINC001204247390 966947910 /nfs/dbraw/zinc/94/79/10/966947910.db2.gz KEVPZDJMLMPVAM-LBPRGKRZSA-N 0 1 237.299 2.055 20 0 BEADMN Cc1ncn(-c2c3cc[nH]c3ccc2F)c1N ZINC001204254038 966948929 /nfs/dbraw/zinc/94/89/29/966948929.db2.gz GAFGCAGBTJBFSI-UHFFFAOYSA-N 0 1 230.246 2.383 20 0 BEADMN CN1CC2(C1)CN(Cc1ccc(Cl)s1)C2 ZINC001204448450 967000988 /nfs/dbraw/zinc/00/09/88/967000988.db2.gz SZMSRSWDQRJGAT-UHFFFAOYSA-N 0 1 242.775 2.149 20 0 BEADMN Cc1c(F)cccc1CN1CCCOCC1 ZINC001204507454 967010789 /nfs/dbraw/zinc/01/07/89/967010789.db2.gz ZOUSNYKNDRXUIB-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN Cc1c(F)cccc1CN1CC2(CC(O)C2)C1 ZINC001204506710 967013515 /nfs/dbraw/zinc/01/35/15/967013515.db2.gz KMGPBEAVMOMUMB-UHFFFAOYSA-N 0 1 235.302 2.091 20 0 BEADMN CCN(Cc1cccc(F)c1C)C1CN(C)C1 ZINC001204511940 967015072 /nfs/dbraw/zinc/01/50/72/967015072.db2.gz ALVYMBRGYLEDBC-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN CCN1CCN(Cc2cc(C)c(C)o2)CC1 ZINC001204530673 967030356 /nfs/dbraw/zinc/03/03/56/967030356.db2.gz GSVOBDXSECCGCS-UHFFFAOYSA-N 0 1 222.332 2.034 20 0 BEADMN Cc1cc(CN2CCSCC2)oc1C ZINC001204537601 967035132 /nfs/dbraw/zinc/03/51/32/967035132.db2.gz UAWPLRPIXFQJGB-UHFFFAOYSA-N 0 1 211.330 2.445 20 0 BEADMN CC1(C)CN(Cc2nccs2)[C@](C)(CO)C1 ZINC001204545622 967041098 /nfs/dbraw/zinc/04/10/98/967041098.db2.gz ZJNOKPDVKOXQHT-LBPRGKRZSA-N 0 1 240.372 2.126 20 0 BEADMN COc1cc(CN2CC[C@H]2C)ccc1F ZINC001204555451 967046846 /nfs/dbraw/zinc/04/68/46/967046846.db2.gz AOLCVYMVXOOMQF-SECBINFHSA-N 0 1 209.264 2.429 20 0 BEADMN Nc1[nH+]cccc1Nc1ccc(C(=O)[O-])cc1 ZINC001212401606 967051266 /nfs/dbraw/zinc/05/12/66/967051266.db2.gz BZACYKQNKCLKLB-UHFFFAOYSA-N 0 1 229.239 2.106 20 0 BEADMN CC(C)N1CCN(Cc2nccs2)C[C@@H]1C ZINC001204549123 967051654 /nfs/dbraw/zinc/05/16/54/967051654.db2.gz OWLOTWCSNXAWLK-NSHDSACASA-N 0 1 239.388 2.058 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000094680191 967064919 /nfs/dbraw/zinc/06/49/19/967064919.db2.gz HTDZERPQTHELQB-UHFFFAOYSA-N 0 1 233.311 2.193 20 0 BEADMN Cc1nc[nH]c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001204587790 967074038 /nfs/dbraw/zinc/07/40/38/967074038.db2.gz LAGZCVVLHHQAEU-AOOOYVTPSA-N 0 1 241.285 2.195 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cn(C4CC4)cn3)C[C@@H]21 ZINC001204614775 967104037 /nfs/dbraw/zinc/10/40/37/967104037.db2.gz CYWVRSQBXPPPJT-BETUJISGSA-N 0 1 231.343 2.306 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)nc1C ZINC001249892555 967131522 /nfs/dbraw/zinc/13/15/22/967131522.db2.gz UDLRJIRGUUTGCO-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN COc1ccc(C[N@H+]2CC[C@H](C)C2)nc1C ZINC001249891904 967133471 /nfs/dbraw/zinc/13/34/71/967133471.db2.gz KQWUTRZLEBAGOD-JTQLQIEISA-N 0 1 220.316 2.240 20 0 BEADMN COCCc1ccc(Cl)c(O)c1F ZINC001249938247 967178720 /nfs/dbraw/zinc/17/87/20/967178720.db2.gz RKKBYYHEMZLEKP-UHFFFAOYSA-N 0 1 204.628 2.374 20 0 BEADMN CCOC[C@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001204795856 967176392 /nfs/dbraw/zinc/17/63/92/967176392.db2.gz DCOOERLPVUEDAR-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CCOC[C@H]1CCN(Cc2ncccc2F)C1 ZINC001204795856 967176403 /nfs/dbraw/zinc/17/64/03/967176403.db2.gz DCOOERLPVUEDAR-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CCC(=O)CO[C@H]1CCN(Cc2ccccc2)C1 ZINC001204864330 967203909 /nfs/dbraw/zinc/20/39/09/967203909.db2.gz XBJPSYDXCOZRGX-HNNXBMFYSA-N 0 1 247.338 2.257 20 0 BEADMN CC[C@@H](C)CN(C)Cc1nc(CO)cs1 ZINC001204867060 967208463 /nfs/dbraw/zinc/20/84/63/967208463.db2.gz RCBSMZCKPVFBGT-SECBINFHSA-N 0 1 228.361 2.113 20 0 BEADMN COc1ncc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001239848794 967229559 /nfs/dbraw/zinc/22/95/59/967229559.db2.gz ZLQJNRPOONZDAA-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1ncn(C)c1Nc1ccn2ccnc2c1 ZINC001204966107 967267856 /nfs/dbraw/zinc/26/78/56/967267856.db2.gz LJMBQYSBVIZAMM-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN CN(C)c1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001204997960 967278820 /nfs/dbraw/zinc/27/88/20/967278820.db2.gz ILFYVNUFWAVMJY-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CO[C@@H]1CN(Cc2cccc(C)c2C)C[C@@H]1F ZINC001205067752 967328367 /nfs/dbraw/zinc/32/83/67/967328367.db2.gz ZEFLERIDXJHDQD-UONOGXRCSA-N 0 1 237.318 2.472 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1cnc(CN)nc1 ZINC001168688030 967353011 /nfs/dbraw/zinc/35/30/11/967353011.db2.gz AANJWLMXZRYXNK-UWVGGRQHSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1F ZINC001205155251 967402560 /nfs/dbraw/zinc/40/25/60/967402560.db2.gz VEBYUZKMGKPXBI-ZDUSSCGKSA-N 0 1 237.318 2.481 20 0 BEADMN Cc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1F ZINC001205215487 967427610 /nfs/dbraw/zinc/42/76/10/967427610.db2.gz RFQOCIXEWWNQRL-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN Cc1nnc(Nc2ccc(Cl)nc2C)o1 ZINC001250150352 967439061 /nfs/dbraw/zinc/43/90/61/967439061.db2.gz FQJFNYMGZSUMSQ-UHFFFAOYSA-N 0 1 224.651 2.478 20 0 BEADMN C[NH+](C)CCCc1cc([O-])c(F)c(F)c1F ZINC001250164091 967459912 /nfs/dbraw/zinc/45/99/12/967459912.db2.gz JZNAODFGWMVUQP-UHFFFAOYSA-N 0 1 233.233 2.304 20 0 BEADMN CC1(C)OC[C@H](Cc2ccc3cncn3c2)O1 ZINC001250182871 967481010 /nfs/dbraw/zinc/48/10/10/967481010.db2.gz FSFYXLQKADGXGM-LBPRGKRZSA-N 0 1 232.283 2.028 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)cc(F)c1O ZINC001212481817 967491289 /nfs/dbraw/zinc/49/12/89/967491289.db2.gz KSWUVLVTYXDWBR-UHFFFAOYSA-N 0 1 239.225 2.456 20 0 BEADMN Cc1cc2[nH]cnc2cc1-c1cnn(C)c1 ZINC001240295476 967498136 /nfs/dbraw/zinc/49/81/36/967498136.db2.gz ADXXBAUPPMZOQX-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN C[N@H+]1CCCC[C@@H]1CCSCCC(=O)[O-] ZINC000037414909 967510907 /nfs/dbraw/zinc/51/09/07/967510907.db2.gz ONZKYULZKRSPGW-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cn(C)nc1C ZINC001240302229 967517692 /nfs/dbraw/zinc/51/76/92/967517692.db2.gz BEVKYQGDWXHOMH-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN CCSCCOC1CCN(CCF)CC1 ZINC001205341737 967554223 /nfs/dbraw/zinc/55/42/23/967554223.db2.gz CRNHHWFVMLHZJS-UHFFFAOYSA-N 0 1 235.368 2.190 20 0 BEADMN OCc1ccc(F)c(Nc2ccncc2)c1F ZINC001250249176 967562071 /nfs/dbraw/zinc/56/20/71/967562071.db2.gz AZAGNCNSGLJHNE-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN NC(=O)CCCCCc1cc2[nH]ncc2c(F)c1 ZINC001250272652 967598974 /nfs/dbraw/zinc/59/89/74/967598974.db2.gz WHPQEJZCCQDMGU-UHFFFAOYSA-N 0 1 249.289 2.290 20 0 BEADMN C[C@@]1(CN2CCO[C@H](CCF)C2)CCCCO1 ZINC001474667187 1169909023 /nfs/dbraw/zinc/90/90/23/1169909023.db2.gz ITYAKYYKQPROHV-OLZOCXBDSA-N 0 1 245.338 2.006 20 0 BEADMN COCC1=CCN(Cc2cc(C)nc(C)c2)CC1 ZINC001205496392 967638986 /nfs/dbraw/zinc/63/89/86/967638986.db2.gz XBCRRZWZISEKIX-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1cnc(Nc2ccc3cncn3c2)o1 ZINC001250322836 967701608 /nfs/dbraw/zinc/70/16/08/967701608.db2.gz ODDWFRXTUDINKK-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN c1ncn2cc(Nc3ccccn3)ccc12 ZINC001250322983 967701629 /nfs/dbraw/zinc/70/16/29/967701629.db2.gz PKSMDATWABCNAX-UHFFFAOYSA-N 0 1 210.240 2.473 20 0 BEADMN COc1nc(OC)c(CN2CCCC2)cc1C ZINC001250326247 967706174 /nfs/dbraw/zinc/70/61/74/967706174.db2.gz RYZFTLHHLIZFRJ-UHFFFAOYSA-N 0 1 236.315 2.003 20 0 BEADMN Cc1c[nH]c(=O)c(Nc2ccc3cncn3c2)c1 ZINC001250327366 967713384 /nfs/dbraw/zinc/71/33/84/967713384.db2.gz SKMPWQFIGIHQFE-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@H](F)[C@H](O)C2)c1 ZINC001205616988 967725373 /nfs/dbraw/zinc/72/53/73/967725373.db2.gz OPWIIHKIDVSPIU-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001205617498 967730490 /nfs/dbraw/zinc/73/04/90/967730490.db2.gz YWRNTPCRGLKPAY-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN CN(C)Cc1cccc(Cc2ncccn2)c1F ZINC001250344053 967739972 /nfs/dbraw/zinc/73/99/72/967739972.db2.gz BUYYRKQWQOQOGF-UHFFFAOYSA-N 0 1 245.301 2.268 20 0 BEADMN Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CN3C)c1 ZINC001205661561 967748028 /nfs/dbraw/zinc/74/80/28/967748028.db2.gz CEQYWHARZKXFQD-STQMWFEESA-N 0 1 234.318 2.022 20 0 BEADMN c1nocc1CN1CC[C@H](Oc2ccccc2)C1 ZINC001205697139 967784530 /nfs/dbraw/zinc/78/45/30/967784530.db2.gz NNQJDRRYDLWKBU-AWEZNQCLSA-N 0 1 244.294 2.328 20 0 BEADMN COc1cccc(CCN(C)Cc2cnoc2)c1 ZINC001205704109 967792177 /nfs/dbraw/zinc/79/21/77/967792177.db2.gz RVEZMYQTCCZFOG-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN CN(Cc1scc2c1OCCO2)C1CC1 ZINC001143181884 967800275 /nfs/dbraw/zinc/80/02/75/967800275.db2.gz PDYYBZXVCOSBJD-UHFFFAOYSA-N 0 1 225.313 2.114 20 0 BEADMN O=C1C[C@@H](c2ccccc2)CN1CN1CCCC1 ZINC001319460638 1169912968 /nfs/dbraw/zinc/91/29/68/1169912968.db2.gz BKDCQRWDVZROEL-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN CCOc1cc(-n2cncc2N)c(F)cc1F ZINC001212529537 967839850 /nfs/dbraw/zinc/83/98/50/967839850.db2.gz GGKDBYBHOIZOJW-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN CCCOC(=O)CNc1nc(C)cc2[nH]ccc21 ZINC001162490515 967847115 /nfs/dbraw/zinc/84/71/15/967847115.db2.gz HNPUAMNACALACT-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CN(C)c1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC001250432030 967849744 /nfs/dbraw/zinc/84/97/44/967849744.db2.gz MYDZRCYJANQLIW-VIFPVBQESA-N 0 1 231.299 2.133 20 0 BEADMN CCC1(c2nc3cc4c(cc3[nH]2)OCC4)COC1 ZINC001250435591 967856130 /nfs/dbraw/zinc/85/61/30/967856130.db2.gz ZTFSXVFWPIWJQP-UHFFFAOYSA-N 0 1 244.294 2.176 20 0 BEADMN Cc1ncc(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC001250440029 967861442 /nfs/dbraw/zinc/86/14/42/967861442.db2.gz DAQNZCYUQZEOHR-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CN(C)c1ccc2nc(-c3cn[nH]c3)[nH]c2c1 ZINC001250439104 967862044 /nfs/dbraw/zinc/86/20/44/967862044.db2.gz JWMDOSCRXHYKHW-UHFFFAOYSA-N 0 1 227.271 2.019 20 0 BEADMN Cc1ncc(-c2cccc3cncn32)cn1 ZINC001205864112 967862358 /nfs/dbraw/zinc/86/23/58/967862358.db2.gz JOFRQICPVPKFCN-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Fc1ccc2[nH]c(-c3c[nH]nn3)nc2c1Cl ZINC001250441316 967864828 /nfs/dbraw/zinc/86/48/28/967864828.db2.gz NLMPCMZTXAPRLN-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN CN(C)Cc1cccc(-c2cnccn2)c1F ZINC001250442783 967867724 /nfs/dbraw/zinc/86/77/24/967867724.db2.gz NFDQPRHIEUAWJQ-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN Cc1[nH]nc2cc(-c3ncccn3)ccc21 ZINC001250443671 967868708 /nfs/dbraw/zinc/86/87/08/967868708.db2.gz FNROAHFELYMNPS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccnc(-c2ccc(O)c(F)c2F)n1 ZINC001250455671 967879216 /nfs/dbraw/zinc/87/92/16/967879216.db2.gz MIFHVCNKYKICIR-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1nc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001250488750 967955305 /nfs/dbraw/zinc/95/53/05/967955305.db2.gz OZBBTCFTCJRKLF-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc(-c2ccc3nn[nH]c3c2)ccc1F ZINC001250488750 967955324 /nfs/dbraw/zinc/95/53/24/967955324.db2.gz OZBBTCFTCJRKLF-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c[nH]c2ncc(Nc3ccncc3)cc12 ZINC001206015509 967963793 /nfs/dbraw/zinc/96/37/93/967963793.db2.gz CMWDCCYITLJMHK-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)[C@H]2C)c(C)n1 ZINC001206016819 967976473 /nfs/dbraw/zinc/97/64/73/967976473.db2.gz RNJKOOMOYXMIJC-ZYHUDNBSSA-N 0 1 221.348 2.442 20 0 BEADMN COc1cc(CN2CCC2)cc2c1OCC=C2 ZINC001250497144 967976886 /nfs/dbraw/zinc/97/68/86/967976886.db2.gz JVIOPQATBZRJCL-UHFFFAOYSA-N 0 1 231.295 2.307 20 0 BEADMN Cc1cnc(-c2ccc(O)c(F)c2F)nc1 ZINC001250497413 967981708 /nfs/dbraw/zinc/98/17/08/967981708.db2.gz CRPMLYNBSSGPNZ-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1cc2nc(-c3c[nH]cn3)[nH]c2cc1F ZINC001250497864 967983843 /nfs/dbraw/zinc/98/38/43/967983843.db2.gz CGIYWUHIXNYYQC-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3c[nH]cn3)nc21 ZINC001250499606 967989172 /nfs/dbraw/zinc/98/91/72/967989172.db2.gz HQVNAEBFYLSQCZ-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1nc[nH]c1-c1nc2ccccc2n1C ZINC001250498951 967991419 /nfs/dbraw/zinc/99/14/19/967991419.db2.gz UOXUXVHJCGCIRI-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1cc2nc(-c3cnn(C)c3)[nH]c2cc1F ZINC001250502272 967996597 /nfs/dbraw/zinc/99/65/97/967996597.db2.gz UFESGGWDQIOUFJ-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1ncc(-c2nc3ccc(F)cc3[nH]2)n1C ZINC001250517743 968019095 /nfs/dbraw/zinc/01/90/95/968019095.db2.gz AIDIQXBTGBIEOI-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2[nH]c(-c3ncccn3)nc2cc1C ZINC001250523183 968030946 /nfs/dbraw/zinc/03/09/46/968030946.db2.gz ASTIGXGMUCMRRM-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001250562597 968075282 /nfs/dbraw/zinc/07/52/82/968075282.db2.gz MENCEDBAVJWIPX-LBPRGKRZSA-N 0 1 231.299 2.480 20 0 BEADMN COCc1nc2ccc(SC)cc2[nH]1 ZINC001250603544 968147174 /nfs/dbraw/zinc/14/71/74/968147174.db2.gz VIPRQSKVIXSRSD-UHFFFAOYSA-N 0 1 208.286 2.431 20 0 BEADMN COCCCc1nc2cc(C)c(OC)cc2[nH]1 ZINC001250603436 968147782 /nfs/dbraw/zinc/14/77/82/968147782.db2.gz UJSZCQVNIZTQDB-UHFFFAOYSA-N 0 1 234.299 2.459 20 0 BEADMN c1cncc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001250605207 968149258 /nfs/dbraw/zinc/14/92/58/968149258.db2.gz ILVRXYYQWQNQBU-OAHLLOKOSA-N 0 1 244.338 2.350 20 0 BEADMN Cc1ccc2nc(CCC3OCCO3)[nH]c2c1C ZINC001250608040 968154181 /nfs/dbraw/zinc/15/41/81/968154181.db2.gz MHVDCNULTBOZLR-UHFFFAOYSA-N 0 1 246.310 2.485 20 0 BEADMN Cc1cc2nc(-c3cnccn3)[nH]c2cc1F ZINC001250630109 968175492 /nfs/dbraw/zinc/17/54/92/968175492.db2.gz RZYNBQDXMZKEEY-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c2[nH]c(-c3cnc(N)nc3)nc2ccc1F ZINC001250685147 968196359 /nfs/dbraw/zinc/19/63/59/968196359.db2.gz PCQVYPIYEMGWIS-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000698314363 968197490 /nfs/dbraw/zinc/19/74/90/968197490.db2.gz UUNAEZKJFBPCIR-NXEZZACHSA-N 0 1 225.361 2.371 20 0 BEADMN Fc1ccc2nc(-c3ncco3)[nH]c2c1 ZINC001250924638 968218007 /nfs/dbraw/zinc/21/80/07/968218007.db2.gz JSNGHLPSALANHV-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN Cc1ccc(C)c(NC[C@H](O)C(F)(F)F)n1 ZINC001250963852 968226567 /nfs/dbraw/zinc/22/65/67/968226567.db2.gz TWOZQRGLHFYLPV-QMMMGPOBSA-N 0 1 234.221 2.034 20 0 BEADMN C[C@@H]1CCN(Cc2ccnn2C)CCC1(F)F ZINC001206322392 968227170 /nfs/dbraw/zinc/22/71/70/968227170.db2.gz CKWKMDDGXHDRSV-SNVBAGLBSA-N 0 1 243.301 2.287 20 0 BEADMN C[C@@H]1CN(Cc2nc(CO)cs2)[C@@H](C)[C@H]1C ZINC001206343662 968250754 /nfs/dbraw/zinc/25/07/54/968250754.db2.gz RYFALRLJKONKKV-UTLUCORTSA-N 0 1 240.372 2.112 20 0 BEADMN Cc1nnc(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000698360748 968267408 /nfs/dbraw/zinc/26/74/08/968267408.db2.gz CLFHQLOGLOYFNC-ONGXEEELSA-N 0 1 223.345 2.269 20 0 BEADMN COc1ncc(C[N@H+]2CCC23CCCCC3)cn1 ZINC001206386683 968270135 /nfs/dbraw/zinc/27/01/35/968270135.db2.gz FGOLQOREJDYFCU-UHFFFAOYSA-N 0 1 247.342 2.394 20 0 BEADMN COc1ncc(CN2CCC23CCCCC3)cn1 ZINC001206386683 968270143 /nfs/dbraw/zinc/27/01/43/968270143.db2.gz FGOLQOREJDYFCU-UHFFFAOYSA-N 0 1 247.342 2.394 20 0 BEADMN CCCC1CCN(Cc2cnc(OC)nc2)CC1 ZINC001206400083 968280604 /nfs/dbraw/zinc/28/06/04/968280604.db2.gz GMZGVTDENAEIRA-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN COc1ccc2nc(-c3c(C)ncn3C)[nH]c2c1 ZINC001251426918 968286490 /nfs/dbraw/zinc/28/64/90/968286490.db2.gz JOGCGNLVOMXQSN-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Fc1cnc(-c2nc3ccc(F)cc3[nH]2)nc1 ZINC001251381643 968288527 /nfs/dbraw/zinc/28/85/27/968288527.db2.gz IMZZCCFODICDSM-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN COc1cc(Cl)cc2[nH]c(-c3nnc[nH]3)nc21 ZINC001251632487 968295993 /nfs/dbraw/zinc/29/59/93/968295993.db2.gz STQUZOPSLMUMKK-UHFFFAOYSA-N 0 1 249.661 2.010 20 0 BEADMN COc1cnccc1CN(C)C1CC(C)C1 ZINC001206438130 968301741 /nfs/dbraw/zinc/30/17/41/968301741.db2.gz LBBYFIBNWJKMPC-UHFFFAOYSA-N 0 1 220.316 2.321 20 0 BEADMN Nc1ccnc(F)c1-c1nc2ccc(F)cc2[nH]1 ZINC001251714314 968305158 /nfs/dbraw/zinc/30/51/58/968305158.db2.gz URLKDIWPTVPZLX-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN CC[C@@H](O)CNc1nc2cccc(C)c2[nH]1 ZINC001251750993 968311905 /nfs/dbraw/zinc/31/19/05/968311905.db2.gz FOXOVMSQICLJSF-SECBINFHSA-N 0 1 219.288 2.054 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1C=CCC1 ZINC000698334888 968335035 /nfs/dbraw/zinc/33/50/35/968335035.db2.gz XEMAQVDYMAYEEH-WDEREUQCSA-N 0 1 203.289 2.154 20 0 BEADMN CC[C@@H](O)CNC(C)(C)C(=O)c1ccccc1 ZINC001251798140 968336704 /nfs/dbraw/zinc/33/67/04/968336704.db2.gz JCONBENGXFDWGW-GFCCVEGCSA-N 0 1 235.327 2.008 20 0 BEADMN CCCn1cncc1CN(CC)CCSC ZINC001206559798 968384992 /nfs/dbraw/zinc/38/49/92/968384992.db2.gz HPDAARJVCAPYGY-UHFFFAOYSA-N 0 1 241.404 2.478 20 0 BEADMN Nc1cc(Nc2cc([O-])c(F)c(F)c2)cc[nH+]1 ZINC001206562250 968386552 /nfs/dbraw/zinc/38/65/52/968386552.db2.gz ZSUARWUACBJNDL-UHFFFAOYSA-N 0 1 237.209 2.391 20 0 BEADMN COc1cccnc1CN1CCC[C@@H](F)CC1 ZINC001206610330 968420539 /nfs/dbraw/zinc/42/05/39/968420539.db2.gz DUTJVCFTHKRCEK-LLVKDONJSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1C[C@H](O)c1ccccc1 ZINC001251983930 968424346 /nfs/dbraw/zinc/42/43/46/968424346.db2.gz UQUZTEJIJPUBHG-RTXFEEFZSA-N 0 1 223.291 2.152 20 0 BEADMN O[C@H](CNCc1cccnc1F)c1ccccc1 ZINC001252003500 968432510 /nfs/dbraw/zinc/43/25/10/968432510.db2.gz QYSZPMUQFWQCHF-CYBMUJFWSA-N 0 1 246.285 2.044 20 0 BEADMN O[C@H](CNCc1ncccc1F)c1ccccc1 ZINC001252002086 968433197 /nfs/dbraw/zinc/43/31/97/968433197.db2.gz IXKCHQGORCSDRU-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN CCn1cc(CN2CC[C@]3(CC[C@@H](C)C3)C2)nn1 ZINC001119806456 968469142 /nfs/dbraw/zinc/46/91/42/968469142.db2.gz RVNXDGWTWXEAOX-OCCSQVGLSA-N 0 1 248.374 2.310 20 0 BEADMN CCN(Cc1csc(C)n1)C1CCOCC1 ZINC001206801509 968484431 /nfs/dbraw/zinc/48/44/31/968484431.db2.gz JZTMRMUELUDBSA-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1cc(C)on1 ZINC001206818823 968489408 /nfs/dbraw/zinc/48/94/08/968489408.db2.gz ICSPFVMFQQEIAK-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN Fc1cncc(F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001206860128 968502991 /nfs/dbraw/zinc/50/29/91/968502991.db2.gz SHTSMUXMHGQHCG-PELKAZGASA-N 0 1 224.254 2.344 20 0 BEADMN CCCC[C@H](O)CN1CC[C@](C)(F)[C@H](F)C1 ZINC001252083785 968506029 /nfs/dbraw/zinc/50/60/29/968506029.db2.gz SXOHEYHMXRXLIF-TUAOUCFPSA-N 0 1 235.318 2.310 20 0 BEADMN CCC(N)=NOCc1cccnc1Cl ZINC000733191256 968532189 /nfs/dbraw/zinc/53/21/89/968532189.db2.gz FMGUICSSINWKFP-UHFFFAOYSA-N 0 1 213.668 2.143 20 0 BEADMN C[C@H]1CCCN(Cc2ncccn2)C[C@H]1C ZINC001207010132 968545834 /nfs/dbraw/zinc/54/58/34/968545834.db2.gz JKKYIGHVMKTUAB-NWDGAFQWSA-N 0 1 219.332 2.345 20 0 BEADMN C[C@@H]1c2cccn2CCN1Cc1ccc[nH]c1=O ZINC001207008716 968546346 /nfs/dbraw/zinc/54/63/46/968546346.db2.gz LIRTVALXEPSXMX-LLVKDONJSA-N 0 1 243.310 2.166 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccn2)C[C@H]1C ZINC001207010134 968547632 /nfs/dbraw/zinc/54/76/32/968547632.db2.gz JKKYIGHVMKTUAB-VXGBXAGGSA-N 0 1 219.332 2.345 20 0 BEADMN c1cnc(CN2CC[C@H]3CCCC[C@H]3C2)nc1 ZINC001207015136 968549377 /nfs/dbraw/zinc/54/93/77/968549377.db2.gz HKFOFPJKPJYNPW-OLZOCXBDSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2ncccn2)CC1 ZINC001207018309 968552776 /nfs/dbraw/zinc/55/27/76/968552776.db2.gz BRBGSWPRMHTHTJ-HAQNSBGRSA-N 0 1 219.332 2.487 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H](C)CC(C)C)c1C ZINC000716192952 968566771 /nfs/dbraw/zinc/56/67/71/968566771.db2.gz GRBAMUDGADRFHJ-SECBINFHSA-N 0 1 237.347 2.325 20 0 BEADMN CO[C@@H]1CCN(Cc2ncccc2F)[C@H](C)C1 ZINC001207036945 968567592 /nfs/dbraw/zinc/56/75/92/968567592.db2.gz JASQILKREREFJJ-GHMZBOCLSA-N 0 1 238.306 2.220 20 0 BEADMN CCCC[C@H](O)CN1CCc2ncc(C)cc2C1 ZINC001252095713 968574046 /nfs/dbraw/zinc/57/40/46/968574046.db2.gz DZOCBIIPAFMEMO-AWEZNQCLSA-N 0 1 248.370 2.299 20 0 BEADMN C[C@@H]1CCCN1Cc1ncc2ccccn21 ZINC001207048545 968578139 /nfs/dbraw/zinc/57/81/39/968578139.db2.gz UEPNGCINPQDGEG-LLVKDONJSA-N 0 1 215.300 2.319 20 0 BEADMN COCCn1cc(-c2cccc3nc[nH]c32)cn1 ZINC001240626840 968579782 /nfs/dbraw/zinc/57/97/82/968579782.db2.gz WCUUHDBOLGDQNB-UHFFFAOYSA-N 0 1 242.282 2.073 20 0 BEADMN O=c1cccc(CN2CCCC(F)(F)CC2)[nH]1 ZINC001207065429 968595179 /nfs/dbraw/zinc/59/51/79/968595179.db2.gz PGLSVQJAWFXACH-UHFFFAOYSA-N 0 1 242.269 2.408 20 0 BEADMN CCCC[C@@H](O)CNCc1nc(C)ccc1F ZINC001252110923 968597020 /nfs/dbraw/zinc/59/70/20/968597020.db2.gz QJGYJMYNGMRKNY-LLVKDONJSA-N 0 1 240.322 2.170 20 0 BEADMN O=c1cccc(CN2CCC[C@@H](C(F)F)C2)[nH]1 ZINC001207070750 968602217 /nfs/dbraw/zinc/60/22/17/968602217.db2.gz FBLJKTSLXYWEFV-SECBINFHSA-N 0 1 242.269 2.264 20 0 BEADMN O=c1cccc(CN2CC(c3ccccc3)C2)[nH]1 ZINC001207073950 968607007 /nfs/dbraw/zinc/60/70/07/968607007.db2.gz PAQJASCURYGPAU-UHFFFAOYSA-N 0 1 240.306 2.387 20 0 BEADMN O=c1cccc(CN2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC001207072206 968607266 /nfs/dbraw/zinc/60/72/66/968607266.db2.gz XZVJWXSHDLOGSM-LLVKDONJSA-N 0 1 240.253 2.018 20 0 BEADMN CCc1nccc(CN2CCC[C@H](F)CC2)n1 ZINC001207084313 968619822 /nfs/dbraw/zinc/61/98/22/968619822.db2.gz QDKXCNZUJONMCI-NSHDSACASA-N 0 1 237.322 2.363 20 0 BEADMN CC(C)(O)CNc1cc(Cl)cc2[nH]ncc21 ZINC001252363594 968643364 /nfs/dbraw/zinc/64/33/64/968643364.db2.gz WKKNMZGXURHTTQ-UHFFFAOYSA-N 0 1 239.706 2.399 20 0 BEADMN CCn1ccnc1CN1CCC2(CCCO2)CC1 ZINC001207145348 968653711 /nfs/dbraw/zinc/65/37/11/968653711.db2.gz AMLGFGPZGATRHC-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN COC(=O)CC[N@@H+](C)Cc1cc(C)cc(F)c1 ZINC001143619239 968693041 /nfs/dbraw/zinc/69/30/41/968693041.db2.gz MPEAWOLHZMZAES-UHFFFAOYSA-N 0 1 239.290 2.129 20 0 BEADMN Cc1cncc(-c2cncc3nc[nH]c32)c1 ZINC001240804013 968694596 /nfs/dbraw/zinc/69/45/96/968694596.db2.gz VJGCYMFAAYGPHQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(C)cc1 ZINC001085446131 968711437 /nfs/dbraw/zinc/71/14/37/968711437.db2.gz XBHSITDAZFRSII-HNNXBMFYSA-N 0 1 246.354 2.048 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CC23CCCC3)n1 ZINC001252474370 968730797 /nfs/dbraw/zinc/73/07/97/968730797.db2.gz PDJWDZTZZJLKSR-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CC23CCCC3)n[nH]1 ZINC001252474370 968730809 /nfs/dbraw/zinc/73/08/09/968730809.db2.gz PDJWDZTZZJLKSR-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN Cc1cc(CN2CC3(CCN3C)C2)sc1C ZINC001276527108 968740608 /nfs/dbraw/zinc/74/06/08/968740608.db2.gz FIHWTUBUTOFONH-UHFFFAOYSA-N 0 1 236.384 2.255 20 0 BEADMN COc1cccc(CCN2CCOCC2(C)C)c1 ZINC001207430972 968766924 /nfs/dbraw/zinc/76/69/24/968766924.db2.gz NFAFCMYDYSMHLX-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CCN2C[C@@H](C)OC[C@H]2C)c1 ZINC001207432394 968771354 /nfs/dbraw/zinc/77/13/54/968771354.db2.gz AZRLORGSQRPGTN-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CC[C@H]1COCCN1CCc1ccccc1OC ZINC001207458896 968780517 /nfs/dbraw/zinc/78/05/17/968780517.db2.gz IOWQZZDYJSHMNB-AWEZNQCLSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccc(CCN2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001207478480 968792023 /nfs/dbraw/zinc/79/20/23/968792023.db2.gz INGCFZGTGCLXCE-UKRRQHHQSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccc(CCN2CCOC3(CC3)C2)cc1 ZINC001207478497 968793556 /nfs/dbraw/zinc/79/35/56/968793556.db2.gz JTXRSOGURSNHMM-UHFFFAOYSA-N 0 1 247.338 2.103 20 0 BEADMN Fc1ccc(CCN2CCn3nccc3C2)cc1 ZINC001207517884 968813580 /nfs/dbraw/zinc/81/35/80/968813580.db2.gz HLXWDIXFXSPQGJ-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CO[C@@H]1CN(CCc2cccc(C)c2)C[C@@H]1F ZINC001207533165 968814458 /nfs/dbraw/zinc/81/44/58/968814458.db2.gz SERPTZOMYKJUMJ-UONOGXRCSA-N 0 1 237.318 2.206 20 0 BEADMN COc1cccc(CCC[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001207573159 968825021 /nfs/dbraw/zinc/82/50/21/968825021.db2.gz XEHBCWZAQGUDPE-GASCZTMLSA-N 0 1 247.338 2.101 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cccnc1N ZINC001207594995 968827885 /nfs/dbraw/zinc/82/78/85/968827885.db2.gz OIBDGPWVYVBSEP-AATRIKPKSA-N 0 1 225.723 2.285 20 0 BEADMN Cc1noc(C(C)(C)NCCC(C)C)n1 ZINC000336675255 968828429 /nfs/dbraw/zinc/82/84/29/968828429.db2.gz AHTMEJADXTVYQO-UHFFFAOYSA-N 0 1 211.309 2.249 20 0 BEADMN CC(=O)CN(C)CC[C@@H](C)CCCC(C)(C)O ZINC001207634692 968851466 /nfs/dbraw/zinc/85/14/66/968851466.db2.gz FIYCJUKQWQLVLY-LBPRGKRZSA-N 0 1 243.391 2.475 20 0 BEADMN C[C@@H](CC1CCCC1)N[C@H](CO)c1ncc[nH]1 ZINC001207665708 968860026 /nfs/dbraw/zinc/86/00/26/968860026.db2.gz PPONEEIVAQORQD-CMPLNLGQSA-N 0 1 237.347 2.002 20 0 BEADMN CC1(C)C[N@@H+](CC2CCSCC2)CCC1=O ZINC001207751848 968876302 /nfs/dbraw/zinc/87/63/02/968876302.db2.gz PLJKBPHYRZJHAH-UHFFFAOYSA-N 0 1 241.400 2.431 20 0 BEADMN CCCCNC(=O)CN1CC(C)(C)C1(C)C ZINC001252638321 968890052 /nfs/dbraw/zinc/89/00/52/968890052.db2.gz OQGBAPSKRRXRPM-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H](O)CNc1nc2cc(C)ccc2[nH]1 ZINC001252771241 968939103 /nfs/dbraw/zinc/93/91/03/968939103.db2.gz JAWZDUZVUVQHAO-JTQLQIEISA-N 0 1 233.315 2.444 20 0 BEADMN Cc1ccc(CCCN(C2CC2)C2COC2)o1 ZINC001207952528 968949608 /nfs/dbraw/zinc/94/96/08/968949608.db2.gz XWECMAKJZQGUHB-UHFFFAOYSA-N 0 1 235.327 2.384 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@]23CCOC3)c1 ZINC001143619460 968950805 /nfs/dbraw/zinc/95/08/05/968950805.db2.gz QQJXDYWSPIOMOH-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN c1cnc([C@@H]2CCCN2C[C@@H]2CCCCO2)cn1 ZINC001207957704 968955571 /nfs/dbraw/zinc/95/55/71/968955571.db2.gz XYKUXBHYDVJEJW-JSGCOSHPSA-N 0 1 247.342 2.183 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1cncs1 ZINC001241499635 969016858 /nfs/dbraw/zinc/01/68/58/969016858.db2.gz CXFDXEIULYGCCD-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@@H]1F ZINC001252839577 969034109 /nfs/dbraw/zinc/03/41/09/969034109.db2.gz LHTLMYKKZKCSFY-JIMOISOXSA-N 0 1 241.281 2.149 20 0 BEADMN CC/C=C\CCCN(C)[C@@H](C)C(=O)OC ZINC001208135811 969043083 /nfs/dbraw/zinc/04/30/83/969043083.db2.gz KNTLJNMYFYGLMI-ZADCQDASSA-N 0 1 213.321 2.226 20 0 BEADMN Cc1ccc([C@H](C)CCN2CC(C)(CO)C2)o1 ZINC001208152622 969077947 /nfs/dbraw/zinc/07/79/47/969077947.db2.gz UAFRFLFRRBWJMD-LLVKDONJSA-N 0 1 237.343 2.396 20 0 BEADMN Cc1ccc([C@H](C)CCN(C)C2COC2)o1 ZINC001208153904 969079930 /nfs/dbraw/zinc/07/99/30/969079930.db2.gz DITJXWSRKZKQFV-SNVBAGLBSA-N 0 1 223.316 2.412 20 0 BEADMN Cc1cc(-c2ccc3[nH]cnc3c2)ncn1 ZINC001241679893 969085087 /nfs/dbraw/zinc/08/50/87/969085087.db2.gz CESAGVAQLMGCRY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCC(C)=C[C@H]1C ZINC001208171850 969105050 /nfs/dbraw/zinc/10/50/50/969105050.db2.gz YACLPQWQBASZCV-CHWSQXEVSA-N 0 1 239.359 2.474 20 0 BEADMN Cc1cnc(N2CCOCC23CC3)cc1C ZINC001155852711 969107566 /nfs/dbraw/zinc/10/75/66/969107566.db2.gz SQSIJMMDWNQSPT-UHFFFAOYSA-N 0 1 218.300 2.068 20 0 BEADMN CC(C)(C)N1CCN(c2nccs2)CC1 ZINC000165865326 969131460 /nfs/dbraw/zinc/13/14/60/969131460.db2.gz FETOCCJWOXOIJT-UHFFFAOYSA-N 0 1 225.361 2.064 20 0 BEADMN Cc1nnc(-c2nc3ccc(C)cc3[nH]2)o1 ZINC001253382585 969145907 /nfs/dbraw/zinc/14/59/07/969145907.db2.gz OBFDMVGQZSDFLO-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN Cc1cc2[nH]cnc2cc1-c1ccnnc1 ZINC001242051698 969185682 /nfs/dbraw/zinc/18/56/82/969185682.db2.gz NSKNIKMFUOMEMA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccncc1-c1cc2nc[nH]c2cn1 ZINC001242054016 969186668 /nfs/dbraw/zinc/18/66/68/969186668.db2.gz FHWLAFHWKFIHRX-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CCCCC[C@@H](O)CN[C@H](C)c1ncc[nH]1 ZINC001253520140 969196982 /nfs/dbraw/zinc/19/69/82/969196982.db2.gz UERQIIHEAOMWSD-GHMZBOCLSA-N 0 1 225.336 2.002 20 0 BEADMN C[C@@H](CN1CCOC[C@@H]1C)OCc1ccccc1 ZINC001208698660 969198872 /nfs/dbraw/zinc/19/88/72/969198872.db2.gz LILVSVGLUCQGCO-KBPBESRZSA-N 0 1 249.354 2.312 20 0 BEADMN CC(C)CCCN1CCC(=O)[C@@H](F)CC1 ZINC001208733333 969216700 /nfs/dbraw/zinc/21/67/00/969216700.db2.gz AZAHRZAHDZCPBB-NSHDSACASA-N 0 1 215.312 2.426 20 0 BEADMN C[N@@H+]1CC=C(Nc2ncccc2Cl)CC1 ZINC001208742051 969232399 /nfs/dbraw/zinc/23/23/99/969232399.db2.gz RFUVBOABKQNKQW-UHFFFAOYSA-N 0 1 223.707 2.366 20 0 BEADMN Fc1ccc(CCCN2CCOCC2)cc1 ZINC001208764796 969234287 /nfs/dbraw/zinc/23/42/87/969234287.db2.gz ASTAJRLJHHJDNW-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN C[C@@H](CN1C[C@H]2CC[C@@H](C1)C2=O)C(F)(F)F ZINC001208904338 969289556 /nfs/dbraw/zinc/28/95/56/969289556.db2.gz DWEBCTDKUDGHHS-XHNCKOQMSA-N 0 1 235.249 2.096 20 0 BEADMN CCC(=O)C(C)(C)CN1C[C@H](C)O[C@@H](C)C1 ZINC001208915758 969300745 /nfs/dbraw/zinc/30/07/45/969300745.db2.gz JSFATVPIHLMJFU-QWRGUYRKSA-N 0 1 227.348 2.101 20 0 BEADMN CCCS(=O)(=O)Nc1scnc1C1CC1 ZINC001253640020 969317594 /nfs/dbraw/zinc/31/75/94/969317594.db2.gz VDLLPRODKSTTNK-UHFFFAOYSA-N 0 1 246.357 2.172 20 0 BEADMN CCOC(=O)CCN1CC(c2ccccc2)C1 ZINC001209037462 969331971 /nfs/dbraw/zinc/33/19/71/969331971.db2.gz RUHJTVSOWJERFO-UHFFFAOYSA-N 0 1 233.311 2.039 20 0 BEADMN Cc1cnc(CN)n1-c1cc(Cl)ccc1F ZINC001169029833 969347297 /nfs/dbraw/zinc/34/72/97/969347297.db2.gz ZNPYODQMCPVCQA-UHFFFAOYSA-N 0 1 239.681 2.432 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2c(c1)CCC2 ZINC001169028144 969348113 /nfs/dbraw/zinc/34/81/13/969348113.db2.gz JRRUDVFBCOXFFO-UHFFFAOYSA-N 0 1 227.311 2.128 20 0 BEADMN CN1CC(c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC001253722258 969348426 /nfs/dbraw/zinc/34/84/26/969348426.db2.gz REVPLYRZHBWFRX-UHFFFAOYSA-N 0 1 249.701 2.419 20 0 BEADMN CC(C)(C)[C@@H](O)CNc1ccc2nc[nH]c2c1 ZINC001253732744 969353305 /nfs/dbraw/zinc/35/33/05/969353305.db2.gz DYIVCMBYIUQQQJ-LBPRGKRZSA-N 0 1 233.315 2.382 20 0 BEADMN CC(=O)[C@@H](NC[C@H](O)C(C)(C)C)c1ccccc1 ZINC001253741987 969361308 /nfs/dbraw/zinc/36/13/08/969361308.db2.gz RLRMXMZHGKZBSR-UONOGXRCSA-N 0 1 249.354 2.313 20 0 BEADMN Cc1cn2cc(NC[C@@H](O)C(C)C)ccc2n1 ZINC001253754345 969371435 /nfs/dbraw/zinc/37/14/35/969371435.db2.gz MEXBUILAYIEACL-GFCCVEGCSA-N 0 1 233.315 2.072 20 0 BEADMN CCc1cncc(Nc2ccnc(CO)c2)c1 ZINC001209181375 969374590 /nfs/dbraw/zinc/37/45/90/969374590.db2.gz PHLPRYASTVGGTI-UHFFFAOYSA-N 0 1 229.283 2.275 20 0 BEADMN CC1(C)CN(CCCc2ccncc2)CCC1=O ZINC001209189995 969377183 /nfs/dbraw/zinc/37/71/83/969377183.db2.gz GCVMYODOPDKZBE-UHFFFAOYSA-N 0 1 246.354 2.315 20 0 BEADMN CC[C@@]12C[C@@H](CO1)[N@@H+](CCCc1ccncc1)C2 ZINC001209188868 969377892 /nfs/dbraw/zinc/37/78/92/969377892.db2.gz CNLWRYCZQMCDGX-GJZGRUSLSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)[C@@H](O)CNCc1c(F)ccc(F)c1F ZINC001253776821 969396634 /nfs/dbraw/zinc/39/66/34/969396634.db2.gz IIBVCOXAEIHJOK-NSHDSACASA-N 0 1 247.260 2.210 20 0 BEADMN C[C@@]1(O)CC[N@@H+](CCc2cccs2)C[C@@H]1F ZINC001209222075 969409392 /nfs/dbraw/zinc/40/93/92/969409392.db2.gz HYHOBXBRZBPQHT-NWDGAFQWSA-N 0 1 243.347 2.085 20 0 BEADMN C[C@@]1(O)CCN(CCc2cccs2)C[C@@H]1F ZINC001209222075 969409396 /nfs/dbraw/zinc/40/93/96/969409396.db2.gz HYHOBXBRZBPQHT-NWDGAFQWSA-N 0 1 243.347 2.085 20 0 BEADMN c1csc(CCN2CCCC23COC3)c1 ZINC001209225405 969412928 /nfs/dbraw/zinc/41/29/28/969412928.db2.gz ZFMKXFIKXQKKRB-UHFFFAOYSA-N 0 1 223.341 2.155 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1CCOc1ccccc1 ZINC001209295385 969426039 /nfs/dbraw/zinc/42/60/39/969426039.db2.gz JQMPMCXXFXJYJS-VXGBXAGGSA-N 0 1 223.291 2.498 20 0 BEADMN F[C@@H]1CN(CCOc2ccccc2)C[C@@H]2C[C@@H]21 ZINC001209297015 969429447 /nfs/dbraw/zinc/42/94/47/969429447.db2.gz PGHIEIWJAMTTJA-FPMFFAJLSA-N 0 1 235.302 2.355 20 0 BEADMN CCCc1nnc([C@H]2CCCc3[nH]cnc32)o1 ZINC001253962972 969432396 /nfs/dbraw/zinc/43/23/96/969432396.db2.gz OWHAGRAQYJOARL-QMMMGPOBSA-N 0 1 232.287 2.213 20 0 BEADMN CCCc1nnc(-c2cc(Cl)[nH]n2)o1 ZINC001254007368 969445338 /nfs/dbraw/zinc/44/53/38/969445338.db2.gz BVCAVBUAYPHMJF-UHFFFAOYSA-N 0 1 212.640 2.066 20 0 BEADMN c1c2cccnc2[nH]c1-c1nnc(C2CC2)o1 ZINC001254054166 969461620 /nfs/dbraw/zinc/46/16/20/969461620.db2.gz IJRCRAXLOAIPIF-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN COC(C)(C)CCN(C)Cc1cncs1 ZINC001209410715 969476110 /nfs/dbraw/zinc/47/61/10/969476110.db2.gz VGXQUYZEEKCWLB-UHFFFAOYSA-N 0 1 228.361 2.390 20 0 BEADMN CCOc1ccnc(NCC2(CO)CCC2)c1 ZINC001156272296 969520433 /nfs/dbraw/zinc/52/04/33/969520433.db2.gz UCBGMODADUKWEQ-UHFFFAOYSA-N 0 1 236.315 2.055 20 0 BEADMN Cc1[nH]ncc1CN1CC(F)(F)C[C@]1(C)CF ZINC001209554406 969540171 /nfs/dbraw/zinc/54/01/71/969540171.db2.gz HHAMASIUXWEFTI-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)[nH]1 ZINC001209570730 969552910 /nfs/dbraw/zinc/55/29/10/969552910.db2.gz UKASUIKEHDEQOR-TXEJJXNPSA-N 0 1 218.300 2.019 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CC[C@H](F)C1 ZINC001209586399 969564739 /nfs/dbraw/zinc/56/47/39/969564739.db2.gz ZZJYGHZCGOFCJU-JTQLQIEISA-N 0 1 233.290 2.415 20 0 BEADMN COc1cc(CN2CCC[C@H]2C)cnc1OC ZINC001209614296 969567244 /nfs/dbraw/zinc/56/72/44/969567244.db2.gz RMYUEMAZGGEBBT-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN COc1cc(CN2CCC[C@@H]2C)cnc1OC ZINC001209614295 969567442 /nfs/dbraw/zinc/56/74/42/969567442.db2.gz RMYUEMAZGGEBBT-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN Fc1cc(F)c(F)c(CN[C@H]2CCCOC2)c1 ZINC001254362808 969574845 /nfs/dbraw/zinc/57/48/45/969574845.db2.gz UBJBSNPGCIZJIJ-JTQLQIEISA-N 0 1 245.244 2.373 20 0 BEADMN Fc1ccc2c(CN3CC4(COC4)C3)c[nH]c2c1 ZINC001209690328 969576526 /nfs/dbraw/zinc/57/65/26/969576526.db2.gz RPUUCVCUVDOXDL-UHFFFAOYSA-N 0 1 246.285 2.139 20 0 BEADMN c1nc2ccc(Nc3ccnnc3)cc2[nH]1 ZINC001209843496 969651634 /nfs/dbraw/zinc/65/16/34/969651634.db2.gz YOZOMYUQOOGDNZ-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1nc2ccc(Nc3cnccn3)cc2[nH]1 ZINC001209841441 969655408 /nfs/dbraw/zinc/65/54/08/969655408.db2.gz OSBTZCWEANDFPH-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN COc1nccnc1Nc1ccc2nc[nH]c2c1 ZINC001209843011 969656403 /nfs/dbraw/zinc/65/64/03/969656403.db2.gz TXUXIAIOLQISCA-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cncc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841432 969657523 /nfs/dbraw/zinc/65/75/23/969657523.db2.gz OIEWNHWEXKIDIN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ncc(Nc2ccc3nc[nH]c3c2)c(=O)[nH]1 ZINC001209848938 969658459 /nfs/dbraw/zinc/65/84/59/969658459.db2.gz UBRRTTUVJNYVGG-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN COc1cc(Cl)ccc1-n1cnc(C)c1N ZINC001209907897 969684854 /nfs/dbraw/zinc/68/48/54/969684854.db2.gz DLQFEJSBMZWHOE-UHFFFAOYSA-N 0 1 237.690 2.425 20 0 BEADMN COc1cc(Cl)ccc1Nc1nonc1N ZINC001209904658 969685759 /nfs/dbraw/zinc/68/57/59/969685759.db2.gz CLLKMXJIVNQLNV-UHFFFAOYSA-N 0 1 240.650 2.057 20 0 BEADMN Cc1ccccc1S(=O)(=O)Nc1ccoc1 ZINC001254520981 969698753 /nfs/dbraw/zinc/69/87/53/969698753.db2.gz YJVQSGNKLUUXAN-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN Cc1cc(N)ncc1Nc1ccccn1 ZINC001209961456 969719744 /nfs/dbraw/zinc/71/97/44/969719744.db2.gz KOTOYDZRSCOZKM-UHFFFAOYSA-N 0 1 200.245 2.111 20 0 BEADMN Cc1cnc(Nc2cnc(N)cc2C)nc1C ZINC001209961415 969721288 /nfs/dbraw/zinc/72/12/88/969721288.db2.gz IENSAMLLKVWBMA-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(F)ccn1 ZINC001209961406 969721513 /nfs/dbraw/zinc/72/15/13/969721513.db2.gz HSPIMLMPYQFZSB-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Cc1cnc(C)c(Nc2cnc(N)cc2C)n1 ZINC001209962630 969725403 /nfs/dbraw/zinc/72/54/03/969725403.db2.gz XRMYGZYPILMKGZ-UHFFFAOYSA-N 0 1 229.287 2.123 20 0 BEADMN Cc1cc(N)ncc1Nc1c(N)ccnc1Cl ZINC001209966755 969730147 /nfs/dbraw/zinc/73/01/47/969730147.db2.gz DTUQKQZXFXXDOS-UHFFFAOYSA-N 0 1 249.705 2.346 20 0 BEADMN Cc1nc(Nc2cnc(N)cc2C)cs1 ZINC001209965844 969730360 /nfs/dbraw/zinc/73/03/60/969730360.db2.gz IKRTVHLEGSFOLB-UHFFFAOYSA-N 0 1 220.301 2.481 20 0 BEADMN Cc1cc(N)ncc1Nc1ncccc1F ZINC001209967984 969735755 /nfs/dbraw/zinc/73/57/55/969735755.db2.gz QEUFHJMQVDCVNA-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN CCn1ncc(Nc2cnc(N)cc2C)c1C ZINC001209968275 969735875 /nfs/dbraw/zinc/73/58/75/969735875.db2.gz SPMNWBCWZYCUGN-UHFFFAOYSA-N 0 1 231.303 2.241 20 0 BEADMN Cc1cc(N)ncc1-n1ccc2cccc(N)c21 ZINC001209971165 969742604 /nfs/dbraw/zinc/74/26/04/969742604.db2.gz RNVIBNLDPRNPDN-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN Cn1cncc1Nc1ccc(OCC2CC2)nc1 ZINC001210011343 969756482 /nfs/dbraw/zinc/75/64/82/969756482.db2.gz HBRLYEJLFCQNHU-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN Nc1cncn1-c1ccc2cnccc2c1 ZINC001210045261 969776915 /nfs/dbraw/zinc/77/69/15/969776915.db2.gz GFNQLEGKYWRXSX-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cncnc1 ZINC001210100283 969797530 /nfs/dbraw/zinc/79/75/30/969797530.db2.gz LSAICIBBZJLZKN-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cn(C)cn1 ZINC001210100426 969798171 /nfs/dbraw/zinc/79/81/71/969798171.db2.gz UEYLTPZAHGFHQM-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC1(C)CN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC1=O ZINC001254956816 969840366 /nfs/dbraw/zinc/84/03/66/969840366.db2.gz OSKPLNHWNJCFTL-GDNZZTSVSA-N 0 1 249.354 2.045 20 0 BEADMN C[C@H](NCc1cccnc1N)c1cccc(O)c1 ZINC001169822762 969865926 /nfs/dbraw/zinc/86/59/26/969865926.db2.gz XABGFFVYKWSZKG-JTQLQIEISA-N 0 1 243.310 2.220 20 0 BEADMN CCc1nnc(-c2cc3cccnc3[nH]2)o1 ZINC001255067125 969869382 /nfs/dbraw/zinc/86/93/82/969869382.db2.gz KVKVANIQNDOQHX-UHFFFAOYSA-N 0 1 214.228 2.175 20 0 BEADMN CCc1nnc(-c2n[nH]c3c2cccc3F)o1 ZINC001255067165 969869729 /nfs/dbraw/zinc/86/97/29/969869729.db2.gz MNYPHMILKPGWOF-UHFFFAOYSA-N 0 1 232.218 2.314 20 0 BEADMN Cc1cnc(NCc2ccc(C)nc2)c(N)c1 ZINC000090691258 969883375 /nfs/dbraw/zinc/88/33/75/969883375.db2.gz IFSYFSBYRBQHOQ-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN CCc1ncccc1Nc1nnc(C)o1 ZINC001210463347 969894384 /nfs/dbraw/zinc/89/43/84/969894384.db2.gz GXZRWUALUGIGKM-UHFFFAOYSA-N 0 1 204.233 2.079 20 0 BEADMN CC(C)C[C@H]1COCCN1CCC(=O)C1CC1 ZINC000767398311 969902200 /nfs/dbraw/zinc/90/22/00/969902200.db2.gz CBLHVRHHQWUNAS-ZDUSSCGKSA-N 0 1 239.359 2.103 20 0 BEADMN CC(=O)c1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001242398632 969910367 /nfs/dbraw/zinc/91/03/67/969910367.db2.gz PYCSRRQUDGTGFJ-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN C[C@@H](O)c1cccc(Nc2ccnc(CO)c2)c1 ZINC001210505830 969912911 /nfs/dbraw/zinc/91/29/11/969912911.db2.gz HSXTVCCSQRZBDI-SNVBAGLBSA-N 0 1 244.294 2.371 20 0 BEADMN CNC(=O)[C@H](C)Nc1nccc2cc(C)ccc21 ZINC001169979763 969930361 /nfs/dbraw/zinc/93/03/61/969930361.db2.gz RQKSDINYLSVCCP-JTQLQIEISA-N 0 1 243.310 2.090 20 0 BEADMN Cc1oncc1Nc1ccnn1-c1ccncc1 ZINC001210579286 969952679 /nfs/dbraw/zinc/95/26/79/969952679.db2.gz VDMZPWHALCMSJH-UHFFFAOYSA-N 0 1 241.254 2.307 20 0 BEADMN CCc1cc(OC)ccc1-n1cncc1N ZINC001210715009 970004480 /nfs/dbraw/zinc/00/44/80/970004480.db2.gz GMBZTEKAKOBSKS-UHFFFAOYSA-N 0 1 217.272 2.026 20 0 BEADMN Clc1cc(-c2nnc(C3CCC3)o2)n[nH]1 ZINC001255233048 970011631 /nfs/dbraw/zinc/01/16/31/970011631.db2.gz OZOTXKRQSGKRNW-UHFFFAOYSA-N 0 1 224.651 2.381 20 0 BEADMN Cc1nc2cncc(-c3cnoc3C)c2[nH]1 ZINC001242603525 970013093 /nfs/dbraw/zinc/01/30/93/970013093.db2.gz ABXKKAMWGVTYNO-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnoc3C)c-2n1 ZINC001242603525 970013095 /nfs/dbraw/zinc/01/30/95/970013095.db2.gz ABXKKAMWGVTYNO-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN c1cc(Nc2ccnc(OC3CC3)c2)ccn1 ZINC001210746207 970014460 /nfs/dbraw/zinc/01/44/60/970014460.db2.gz FKMFRBRXQJIWTR-UHFFFAOYSA-N 0 1 227.267 2.183 20 0 BEADMN Cc1ccc(C(=O)CN[C@H]2CCSC2)cc1 ZINC001255271339 970023609 /nfs/dbraw/zinc/02/36/09/970023609.db2.gz AJAZPTTYGBHGHE-LBPRGKRZSA-N 0 1 235.352 2.273 20 0 BEADMN c1cc2c(o1)CCN([C@H]1CCSC1)C2 ZINC001255291763 970052382 /nfs/dbraw/zinc/05/23/82/970052382.db2.gz ZHMVSYKTWAEZHE-JTQLQIEISA-N 0 1 209.314 2.143 20 0 BEADMN Nc1cncn1-c1cc(F)c(Cl)c(F)c1 ZINC001210842198 970053892 /nfs/dbraw/zinc/05/38/92/970053892.db2.gz HRPQSHHQEVAXQX-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN CCCC[C@@H](C)N[C@H]1CCSC1=O ZINC001255311697 970077063 /nfs/dbraw/zinc/07/70/63/970077063.db2.gz BEMQREYBCUNGOY-BDAKNGLRSA-N 0 1 201.335 2.187 20 0 BEADMN CCCCCN1CCN(C(=O)[C@H](C)CC)CC1 ZINC001112617721 970122535 /nfs/dbraw/zinc/12/25/35/970122535.db2.gz LQRBIVMBPQWVHV-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN C=C(c1ccccc1)c1ncnc2c1CNC2 ZINC001242888824 970123143 /nfs/dbraw/zinc/12/31/43/970123143.db2.gz ACYBEAWVOOZTBY-UHFFFAOYSA-N 0 1 223.279 2.141 20 0 BEADMN Cc1nsc(Nc2cnn3ccccc23)n1 ZINC001211091665 970143408 /nfs/dbraw/zinc/14/34/08/970143408.db2.gz GVDKYNSDGOVKQD-UHFFFAOYSA-N 0 1 231.284 2.238 20 0 BEADMN Cn1cncc1Nc1c(Cl)cncc1Cl ZINC001211246172 970190874 /nfs/dbraw/zinc/19/08/74/970190874.db2.gz XLORVRAGLNCQGR-UHFFFAOYSA-N 0 1 243.097 2.287 20 0 BEADMN Cn1cncc1Nc1cc(Cl)c2nccn2c1 ZINC001211247352 970193002 /nfs/dbraw/zinc/19/30/02/970193002.db2.gz WNUQGPKIMPSWGZ-UHFFFAOYSA-N 0 1 247.689 2.465 20 0 BEADMN Cn1cncc1Nc1ncccc1Cl ZINC001211246688 970193522 /nfs/dbraw/zinc/19/35/22/970193522.db2.gz LJZJSJVTYGQNLE-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN Cn1cncc1Nc1cccc2c1NC(=O)CC2 ZINC001211252174 970197965 /nfs/dbraw/zinc/19/79/65/970197965.db2.gz CZUHESVSJRXWPD-UHFFFAOYSA-N 0 1 242.282 2.048 20 0 BEADMN Cn1cncc1-n1ccc2c1c(N)ccc2F ZINC001211253970 970198060 /nfs/dbraw/zinc/19/80/60/970198060.db2.gz PECOJMAZJFHMSU-UHFFFAOYSA-N 0 1 230.246 2.085 20 0 BEADMN Cn1cncc1N1CCCc2ccc(N)cc21 ZINC001211252059 970199601 /nfs/dbraw/zinc/19/96/01/970199601.db2.gz XPTCJYJFBUGAQZ-UHFFFAOYSA-N 0 1 228.299 2.087 20 0 BEADMN COc1ccnc(NCC2(F)CCOCC2)c1 ZINC001157351204 970200097 /nfs/dbraw/zinc/20/00/97/970200097.db2.gz XXSCWIOGGHZPSN-UHFFFAOYSA-N 0 1 240.278 2.021 20 0 BEADMN COc1cnccc1Nc1ccnc(Cl)c1 ZINC001211256934 970201330 /nfs/dbraw/zinc/20/13/30/970201330.db2.gz FIRHBBLFMLVOTD-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COc1cnccc1Nc1ccc(O)c(C)c1 ZINC001211260799 970208310 /nfs/dbraw/zinc/20/83/10/970208310.db2.gz SFZOROMKFPYCDI-UHFFFAOYSA-N 0 1 230.267 2.270 20 0 BEADMN COc1cnccc1Nc1ccc(CO)c(C)c1 ZINC001211266065 970215209 /nfs/dbraw/zinc/21/52/09/970215209.db2.gz YKUACPLHGLXLAZ-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN COc1cnccc1Nc1cc(C)ccc1CO ZINC001211266054 970216430 /nfs/dbraw/zinc/21/64/30/970216430.db2.gz YGYBTRAOIHTLIO-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN COc1cnccc1Nc1cccc2c1COC2 ZINC001211265166 970216713 /nfs/dbraw/zinc/21/67/13/970216713.db2.gz OSKLLSLNPNHYJG-UHFFFAOYSA-N 0 1 242.278 2.286 20 0 BEADMN Cc1ccc(OC(C)C)c(Nc2nonc2N)c1 ZINC001211279896 970218441 /nfs/dbraw/zinc/21/84/41/970218441.db2.gz PIWXXORQCHHHTB-UHFFFAOYSA-N 0 1 248.286 2.491 20 0 BEADMN COc1cccc(-n2c(N)nc3ccccc32)n1 ZINC001211296806 970223411 /nfs/dbraw/zinc/22/34/11/970223411.db2.gz WKSHURDUINNLCP-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN Oc1cc(F)c(-c2cccn3ncnc23)cc1F ZINC001211338733 970241486 /nfs/dbraw/zinc/24/14/86/970241486.db2.gz INXPKSGOLDNMJQ-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Cc1cc(-c2cncn2C)cc2nc[nH]c21 ZINC001243068961 970260729 /nfs/dbraw/zinc/26/07/29/970260729.db2.gz LIBVZGHEPVLWKE-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1nc2cc(Nc3ccnnc3)ccc2[nH]1 ZINC001213071509 970272164 /nfs/dbraw/zinc/27/21/64/970272164.db2.gz VPNHRNGXNSWZRZ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN c1cc(Nc2ccc3c(c2)NCC3)ccn1 ZINC001213144036 970278566 /nfs/dbraw/zinc/27/85/66/970278566.db2.gz WSOFQRJYLMTZDF-UHFFFAOYSA-N 0 1 211.268 2.215 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)NCC2 ZINC001213149961 970287128 /nfs/dbraw/zinc/28/71/28/970287128.db2.gz OMXAZZHGIQAPAU-UHFFFAOYSA-N 0 1 228.299 2.440 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2NC(=O)c3ccccc32)C1 ZINC001170110634 970316452 /nfs/dbraw/zinc/31/64/52/970316452.db2.gz ZVVOBTSZPAIGOM-BREBYQMCSA-N 0 1 230.311 2.207 20 0 BEADMN COC[C@@H](C)N1CCC[C@H]1c1cc(C)on1 ZINC001255567759 970357150 /nfs/dbraw/zinc/35/71/50/970357150.db2.gz JQLQOCSCNJDIEN-SKDRFNHKSA-N 0 1 224.304 2.155 20 0 BEADMN Cc1ncn(-c2ccc3cc[nH]c(=O)c3c2)c1N ZINC001213955843 970405445 /nfs/dbraw/zinc/40/54/45/970405445.db2.gz OVWJHYCGZSRERF-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cc1ncc2n1CCN([C@H]1CC[C@H](C)C1)C2 ZINC001170137590 970411879 /nfs/dbraw/zinc/41/18/79/970411879.db2.gz OHEXOEXIJKDIFA-JQWIXIFHSA-N 0 1 219.332 2.196 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@H](CO)c1ccncc1 ZINC001255641760 970414774 /nfs/dbraw/zinc/41/47/74/970414774.db2.gz MXERTQZEBHZBPL-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN CC(C)NCc1cn(CCC2CCCC2)nn1 ZINC000302241144 970424338 /nfs/dbraw/zinc/42/43/38/970424338.db2.gz DUUGRVWRLCEADS-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2ncncc2C1 ZINC001255659175 970436274 /nfs/dbraw/zinc/43/62/74/970436274.db2.gz VYLGCZYOOFVYRR-QMMMGPOBSA-N 0 1 245.248 2.176 20 0 BEADMN CC(C)Oc1ccnc(NC2CSC2)c1 ZINC001157576425 970452389 /nfs/dbraw/zinc/45/23/89/970452389.db2.gz BVVUNTMGOSQBAM-UHFFFAOYSA-N 0 1 224.329 2.396 20 0 BEADMN Clc1cc(NC2CSC2)c2nc[nH]c2n1 ZINC001157576464 970452651 /nfs/dbraw/zinc/45/26/51/970452651.db2.gz DMVFYSNJPAKSGK-UHFFFAOYSA-N 0 1 240.719 2.139 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC001609717790 970493207 /nfs/dbraw/zinc/49/32/07/970493207.db2.gz FGKTVIWXXPMFMW-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN CSc1cccc(-c2cnc(CN)nc2)c1F ZINC001243363433 970493765 /nfs/dbraw/zinc/49/37/65/970493765.db2.gz GCMAMOJFGUFUQZ-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN CN(Cc1cc[nH]c1)Cc1ccc2c(c1)OCO2 ZINC000179722444 970517093 /nfs/dbraw/zinc/51/70/93/970517093.db2.gz JCHQHIQPJTVWCX-UHFFFAOYSA-N 0 1 244.294 2.375 20 0 BEADMN C[C@@H](Cc1ccccc1F)N(C)C1(C)COC1 ZINC001255854306 970524208 /nfs/dbraw/zinc/52/42/08/970524208.db2.gz PLTBNQZETDTSJQ-NSHDSACASA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)N1CCOC[C@@H]1C ZINC001255868492 970533697 /nfs/dbraw/zinc/53/36/97/970533697.db2.gz NKOCGTXZXYZMGP-NEPJUHHUSA-N 0 1 237.318 2.477 20 0 BEADMN CO[C@H](C)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180327552 970535179 /nfs/dbraw/zinc/53/51/79/970535179.db2.gz HZFARMRUJTUOFH-MRVPVSSYSA-N 0 1 247.298 2.235 20 0 BEADMN CC(C)N1CCN(C2CCCCCC2)CC1=O ZINC001255893714 970559058 /nfs/dbraw/zinc/55/90/58/970559058.db2.gz NBTZQALSJXXSPC-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CCOc1ncc(Nc2cncn2C)cc1C ZINC001214930539 970573028 /nfs/dbraw/zinc/57/30/28/970573028.db2.gz IUPAPZZUVHXZGK-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN Clc1ccc(CN2CC[C@H](C3CC3)C2)nn1 ZINC000400365237 970583487 /nfs/dbraw/zinc/58/34/87/970583487.db2.gz CWYSPNREWZKMHH-JTQLQIEISA-N 0 1 237.734 2.362 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC=C(c2ccco2)C1 ZINC001609890019 970590911 /nfs/dbraw/zinc/59/09/11/970590911.db2.gz LSOZTVIHWDFNGJ-NSHDSACASA-N 0 1 235.283 2.232 20 0 BEADMN CC[C@@H]1C[C@@H](NC2(c3ncccn3)CC2)CCO1 ZINC001170195155 970591374 /nfs/dbraw/zinc/59/13/74/970591374.db2.gz JCHFPMHQUBECQQ-NWDGAFQWSA-N 0 1 247.342 2.013 20 0 BEADMN Cc1csc(CN2C[C@H](CO)CC[C@@H]2C)n1 ZINC000305208868 970707546 /nfs/dbraw/zinc/70/75/46/970707546.db2.gz GRWGNPUADIHMJU-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)OC(=O)CN1CC(C)(C)C[C@@H]1C ZINC001327329026 972550148 /nfs/dbraw/zinc/55/01/48/972550148.db2.gz VTDKPKMRWQZHCG-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN Cc1c(O)cccc1CN1CCSCC1 ZINC001144109837 972580813 /nfs/dbraw/zinc/58/08/13/972580813.db2.gz HKZMTUXSESQTQD-UHFFFAOYSA-N 0 1 223.341 2.249 20 0 BEADMN Cc1c(O)cccc1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001144116904 972591659 /nfs/dbraw/zinc/59/16/59/972591659.db2.gz DYUPIURJOGUJAQ-TXEJJXNPSA-N 0 1 248.370 2.225 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)OCc1nnc[nH]1 ZINC001327483938 972592164 /nfs/dbraw/zinc/59/21/64/972592164.db2.gz UBYHSMXJAJSCNF-VHSXEESVSA-N 0 1 237.303 2.064 20 0 BEADMN Oc1ccc(CN2CCC[C@@H](C(F)F)C2)nc1 ZINC001144259210 972708264 /nfs/dbraw/zinc/70/82/64/972708264.db2.gz NHNXDBFLHLLAAU-SECBINFHSA-N 0 1 242.269 2.264 20 0 BEADMN CC[N@@H+](CCCC1CC1)C(C)(C)C(=O)[O-] ZINC000394645685 972728077 /nfs/dbraw/zinc/72/80/77/972728077.db2.gz IPYVCJSNEXMVEK-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCOC(=O)c1[nH]ccc1CN1CCC2(CC2)C1 ZINC001144328122 972778374 /nfs/dbraw/zinc/77/83/74/972778374.db2.gz QPXIKCAANWMXBD-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN Cc1ccc([C@H](C)OCc2cnc[nH]2)cn1 ZINC001223001104 972795319 /nfs/dbraw/zinc/79/53/19/972795319.db2.gz UAGGXAZKNRUCPW-JTQLQIEISA-N 0 1 217.272 2.391 20 0 BEADMN c1ncc(CO[C@H](c2cccnc2)C2CC2)[nH]1 ZINC001223007384 972800226 /nfs/dbraw/zinc/80/02/26/972800226.db2.gz JPRJTRDWSIRHJG-ZDUSSCGKSA-N 0 1 229.283 2.473 20 0 BEADMN C[N@@H+](CC1(CC(=O)[O-])CC1)C1CC(C)(C)C1 ZINC000395532045 972804076 /nfs/dbraw/zinc/80/40/76/972804076.db2.gz UNUSBENGMFKJNP-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](OCc1nn[nH]n1)c1ccccc1F ZINC001223027331 972805072 /nfs/dbraw/zinc/80/50/72/972805072.db2.gz OAAWFSJCHRRAIV-SNVBAGLBSA-N 0 1 236.250 2.007 20 0 BEADMN C[C@@H](CO)CCNc1ccc2c(n1)CCC2 ZINC001160602287 972809307 /nfs/dbraw/zinc/80/93/07/972809307.db2.gz HRHZGJAWVGWAPY-SNVBAGLBSA-N 0 1 220.316 2.001 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)OCc1nnc[nH]1 ZINC001327978571 972838552 /nfs/dbraw/zinc/83/85/52/972838552.db2.gz LSWNTEWVZWONFJ-JTQLQIEISA-N 0 1 239.319 2.310 20 0 BEADMN c1nc(CN2CCC[C@@H]3C[C@@H]32)c2ccccn12 ZINC001144625973 972888520 /nfs/dbraw/zinc/88/85/20/972888520.db2.gz XCPPPEGZDAUPPW-RISCZKNCSA-N 0 1 227.311 2.319 20 0 BEADMN O=C1CCCN1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001328178389 972892436 /nfs/dbraw/zinc/89/24/36/972892436.db2.gz VDUNZNOXRFQQBQ-CHWSQXEVSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1CCCN1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001328178396 972893988 /nfs/dbraw/zinc/89/39/88/972893988.db2.gz VDUNZNOXRFQQBQ-STQMWFEESA-N 0 1 236.359 2.078 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000396853312 972945882 /nfs/dbraw/zinc/94/58/82/972945882.db2.gz VTBTUWGAAQTUBE-SECBINFHSA-N 0 1 238.287 2.137 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccsc1C ZINC001171246491 973040512 /nfs/dbraw/zinc/04/05/12/973040512.db2.gz JUPSLJRSZFGKFV-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN CCN1C[C@@H](C)N(c2nccs2)C[C@H]1C ZINC000846756287 973041880 /nfs/dbraw/zinc/04/18/80/973041880.db2.gz WFJBTQUVERACIE-NXEZZACHSA-N 0 1 225.361 2.062 20 0 BEADMN Cc1ccnc(COC2CN(C(C)(C)C)C2)c1 ZINC001223501925 973104818 /nfs/dbraw/zinc/10/48/18/973104818.db2.gz MVUKNAKMJADQCA-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1C/C(C)=C/C(=O)[O-] ZINC000399522621 973223991 /nfs/dbraw/zinc/22/39/91/973223991.db2.gz KLODEEKGTQYXOS-XHHWIUDKSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000399580086 973228028 /nfs/dbraw/zinc/22/80/28/973228028.db2.gz RHPVVFDMRRNQJS-OPRDCNLKSA-N 0 1 237.299 2.454 20 0 BEADMN CC(=O)CN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001330733392 1169959249 /nfs/dbraw/zinc/95/92/49/1169959249.db2.gz PVRXLGZVSCUHOK-GFCCVEGCSA-N 0 1 249.358 2.302 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(C)[nH]n1 ZINC001328709253 973291635 /nfs/dbraw/zinc/29/16/35/973291635.db2.gz XRSXPSIAXTUCKJ-OLZOCXBDSA-N 0 1 237.347 2.108 20 0 BEADMN CS[C@@H]1CC[C@H](N(C)Cc2nc(C)c[nH]2)C1 ZINC001329061110 973456946 /nfs/dbraw/zinc/45/69/46/973456946.db2.gz JGMGGTJEHYLDOH-WDEREUQCSA-N 0 1 239.388 2.434 20 0 BEADMN Cc1nnc(S[C@H](C)C2CCOCC2)[nH]1 ZINC001329194946 973556840 /nfs/dbraw/zinc/55/68/40/973556840.db2.gz FYTURHCLEOERHQ-SSDOTTSWSA-N 0 1 227.333 2.020 20 0 BEADMN C[N@@H+](C[C@H]1CC=CCC1)[C@@H](C(=O)[O-])C1CC1 ZINC000402599894 973630414 /nfs/dbraw/zinc/63/04/14/973630414.db2.gz OUZKESPHIXUYRR-CMPLNLGQSA-N 0 1 223.316 2.138 20 0 BEADMN C[N@@H+](CC=C(Cl)Cl)C(C)(C)C(=O)[O-] ZINC000403331268 973672784 /nfs/dbraw/zinc/67/27/84/973672784.db2.gz QTRIOJHGIXQHPE-UHFFFAOYSA-N 0 1 226.103 2.100 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403256477 973669240 /nfs/dbraw/zinc/66/92/40/973669240.db2.gz WGPJTQPKHXBCNR-CZXHOFHRSA-N 0 1 237.343 2.219 20 0 BEADMN CCCn1cc(CN[C@H]2CCC[C@H](F)C2)nn1 ZINC001329349324 973690840 /nfs/dbraw/zinc/69/08/40/973690840.db2.gz MJDVCKGMTGSPNN-QWRGUYRKSA-N 0 1 240.326 2.058 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)nc2)[C@H](C)C1 ZINC000799736237 973886966 /nfs/dbraw/zinc/88/69/66/973886966.db2.gz JCVTWUZMHKHHCT-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN CNCc1nc(-c2cccc3ccoc32)no1 ZINC001247432303 973939859 /nfs/dbraw/zinc/93/98/59/973939859.db2.gz WAFWFZJHFRDYPW-UHFFFAOYSA-N 0 1 229.239 2.202 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(F)ccc2F)no1 ZINC001247489410 973964774 /nfs/dbraw/zinc/96/47/74/973964774.db2.gz ABDFBWLVVLZYOF-LURJTMIESA-N 0 1 239.225 2.295 20 0 BEADMN CN[C@@H](C)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001247491886 973970897 /nfs/dbraw/zinc/97/08/97/973970897.db2.gz TZFHFTHEDHFTEF-VIFPVBQESA-N 0 1 232.287 2.029 20 0 BEADMN CN[C@H](C)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001247491885 973972615 /nfs/dbraw/zinc/97/26/15/973972615.db2.gz TZFHFTHEDHFTEF-SECBINFHSA-N 0 1 232.287 2.029 20 0 BEADMN C[C@@]1(NCc2nnc[nH]2)CCCc2ccccc21 ZINC001329876530 973986484 /nfs/dbraw/zinc/98/64/84/973986484.db2.gz LZKMEQFYLOZDHS-CQSZACIVSA-N 0 1 242.326 2.146 20 0 BEADMN C[C@]1(NCc2nnc[nH]2)CCCc2ccccc21 ZINC001329876529 973986908 /nfs/dbraw/zinc/98/69/08/973986908.db2.gz LZKMEQFYLOZDHS-AWEZNQCLSA-N 0 1 242.326 2.146 20 0 BEADMN CC(C)N1CC(OCCCc2ccncc2)C1 ZINC001224949952 974092036 /nfs/dbraw/zinc/09/20/36/974092036.db2.gz JNBKCWJIAUYLQS-UHFFFAOYSA-N 0 1 234.343 2.123 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2c(C)cccc2C1 ZINC001171565765 974105947 /nfs/dbraw/zinc/10/59/47/974105947.db2.gz RNMJMMIGHLIPAL-AWEZNQCLSA-N 0 1 231.339 2.373 20 0 BEADMN Cc1cccc(-c2noc([C@]3(C)CCN3)n2)c1F ZINC001248721931 974134810 /nfs/dbraw/zinc/13/48/10/974134810.db2.gz OZAUHJKLMOJHFA-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1C[C@H]2CCCC[C@H]21 ZINC001171757209 974148883 /nfs/dbraw/zinc/14/88/83/974148883.db2.gz ZWYKMLZTULRGCL-JHJVBQTASA-N 0 1 239.359 2.449 20 0 BEADMN Cc1cnc(CN)n1[C@@H]1Cc2cccc(F)c2C1 ZINC001171776880 974162620 /nfs/dbraw/zinc/16/26/20/974162620.db2.gz CRIQGRAZJWYYLO-LLVKDONJSA-N 0 1 245.301 2.129 20 0 BEADMN Fc1cccc2c1C[C@@H](NCc1cocn1)C2 ZINC001171776934 974165255 /nfs/dbraw/zinc/16/52/55/974165255.db2.gz DPMCENNGKUFMSN-JTQLQIEISA-N 0 1 232.258 2.071 20 0 BEADMN c1coc(C2CCN(CC3=NOCC3)CC2)c1 ZINC001171834379 974202641 /nfs/dbraw/zinc/20/26/41/974202641.db2.gz OEQRXIAHCHLTNF-UHFFFAOYSA-N 0 1 234.299 2.235 20 0 BEADMN CN1[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H]1CC(=O)C2 ZINC001225226892 974269835 /nfs/dbraw/zinc/26/98/35/974269835.db2.gz JCGCBFVLKJVVAV-ZLKJLUDKSA-N 0 1 249.285 2.009 20 0 BEADMN CO[C@@H](C)c1cccc(NCc2nnc[nH]2)c1 ZINC001330608935 974357180 /nfs/dbraw/zinc/35/71/80/974357180.db2.gz OBGCJQZZYNKANF-VIFPVBQESA-N 0 1 232.287 2.124 20 0 BEADMN CC1(C)C[C@H](NCc2cnccc2Cl)CO1 ZINC001172267135 974486357 /nfs/dbraw/zinc/48/63/57/974486357.db2.gz YYJAGFFRVKENFX-JTQLQIEISA-N 0 1 240.734 2.392 20 0 BEADMN CC1(C)C[C@@H](NC2(c3ccccn3)CC2)CO1 ZINC001172275614 974493847 /nfs/dbraw/zinc/49/38/47/974493847.db2.gz YANFLOWMACEEBN-LLVKDONJSA-N 0 1 232.327 2.228 20 0 BEADMN COc1cccc(F)c1O[C@H]1CCCN(C)C1 ZINC001225446608 974494247 /nfs/dbraw/zinc/49/42/47/974494247.db2.gz CXKXPEKIYNCBLU-JTQLQIEISA-N 0 1 239.290 2.307 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)NCc1nonc1C ZINC001172322940 974533871 /nfs/dbraw/zinc/53/38/71/974533871.db2.gz ZHJRDAMPHGAZPF-ZJUUUORDSA-N 0 1 241.335 2.061 20 0 BEADMN Nc1ccnc(CNC(=O)/C=C\C2CCCC2)c1 ZINC001330985614 974549704 /nfs/dbraw/zinc/54/97/04/974549704.db2.gz SXZPAHZGULWVNE-WAYWQWQTSA-N 0 1 245.326 2.026 20 0 BEADMN CC1(C)C[C@H](N2CC(c3cccnc3)C2)CO1 ZINC001172289195 974555526 /nfs/dbraw/zinc/55/55/26/974555526.db2.gz SXGJMRPVYNZTRK-ZDUSSCGKSA-N 0 1 232.327 2.048 20 0 BEADMN CC1(C)C[C@@H](N2CC3(C2)C[C@@H](F)CS3)CO1 ZINC001172289188 974556057 /nfs/dbraw/zinc/55/60/57/974556057.db2.gz SVSYZOSCPBAXSI-NXEZZACHSA-N 0 1 245.363 2.083 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@@H]1COC(C)(C)C1 ZINC001172288871 974556397 /nfs/dbraw/zinc/55/63/97/974556397.db2.gz MXAHSVPVHGRKNZ-NEPJUHHUSA-N 0 1 234.343 2.432 20 0 BEADMN Cc1ncccc1CN(C)[C@H]1COC(C)(C)C1 ZINC001172293821 974559807 /nfs/dbraw/zinc/55/98/07/974559807.db2.gz SBMITDNCZUPBJX-CYBMUJFWSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1ccc(CN2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC001331066552 974584321 /nfs/dbraw/zinc/58/43/21/974584321.db2.gz LAIKHRKDZXJMHT-CYBMUJFWSA-N 0 1 235.302 2.091 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N(C)CC(C)=O ZINC001172333987 974598016 /nfs/dbraw/zinc/59/80/16/974598016.db2.gz BCKJXWPOXLSOBX-JQWIXIFHSA-N 0 1 215.337 2.101 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N(CC)CC(=O)OC ZINC001172362538 974635064 /nfs/dbraw/zinc/63/50/64/974635064.db2.gz UEZXTMBWZRTDGI-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172365444 974643950 /nfs/dbraw/zinc/64/39/50/974643950.db2.gz BTKCOXRQHZQMEJ-IQJOONFLSA-N 0 1 222.336 2.042 20 0 BEADMN Oc1cccc(F)c1O[C@@H]1CN2CCC1CC2 ZINC001225800731 974689643 /nfs/dbraw/zinc/68/96/43/974689643.db2.gz LZKBUPXRBIKCLB-GFCCVEGCSA-N 0 1 237.274 2.004 20 0 BEADMN CCCC(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001225839000 974701394 /nfs/dbraw/zinc/70/13/94/974701394.db2.gz WPFAYDMBIMGHGG-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN CCOCC[C@H](C)N1CCC[C@H]1c1ncccn1 ZINC001172429691 974709979 /nfs/dbraw/zinc/70/99/79/974709979.db2.gz BULGPGSKOUHXRA-STQMWFEESA-N 0 1 249.358 2.429 20 0 BEADMN CCOCC[C@@H](C)N1CCC[C@H]1c1ncccn1 ZINC001172429689 974711577 /nfs/dbraw/zinc/71/15/77/974711577.db2.gz BULGPGSKOUHXRA-OLZOCXBDSA-N 0 1 249.358 2.429 20 0 BEADMN Cc1cnc(CN[C@@H](C)CCOC(C)C)nc1 ZINC001172431261 974713690 /nfs/dbraw/zinc/71/36/90/974713690.db2.gz MJXRCTIGGXBQKP-LBPRGKRZSA-N 0 1 237.347 2.078 20 0 BEADMN CC(C)OCC[C@H](C)NCC(C)(F)F ZINC001172432522 974717199 /nfs/dbraw/zinc/71/71/99/974717199.db2.gz ZMRIEOPQQFYKAV-VIFPVBQESA-N 0 1 209.280 2.435 20 0 BEADMN CC(C)OCC[C@@H](C)NCC(C)(F)F ZINC001172432521 974716548 /nfs/dbraw/zinc/71/65/48/974716548.db2.gz ZMRIEOPQQFYKAV-SECBINFHSA-N 0 1 209.280 2.435 20 0 BEADMN C[C@@H](C(=O)NCc1cc(N)ccn1)C1CCCC1 ZINC001331443636 974722976 /nfs/dbraw/zinc/72/29/76/974722976.db2.gz ONDYOGLHZXMHTC-SNVBAGLBSA-N 0 1 247.342 2.106 20 0 BEADMN CCC[C@@H](C(=O)NCc1cc(N)ccn1)C(C)C ZINC001331444156 974724174 /nfs/dbraw/zinc/72/41/74/974724174.db2.gz QWPQAIWISRVIJZ-CYBMUJFWSA-N 0 1 249.358 2.352 20 0 BEADMN Cc1[nH]nc(CN2CCOC3(CCCC3)C2)c1C ZINC001331527638 974748592 /nfs/dbraw/zinc/74/85/92/974748592.db2.gz CEILFHJCYYWYCW-UHFFFAOYSA-N 0 1 249.358 2.172 20 0 BEADMN FC1(F)CC(Oc2cccc3[nH]nnc32)C1 ZINC001225990912 974754285 /nfs/dbraw/zinc/75/42/85/974754285.db2.gz NAITULWLVGVYTH-UHFFFAOYSA-N 0 1 225.198 2.134 20 0 BEADMN C1=C[C@H](Oc2cccc3[nH]nnc32)CC1 ZINC001225991207 974755359 /nfs/dbraw/zinc/75/53/59/974755359.db2.gz WRVMYFXZYYVAID-QMMMGPOBSA-N 0 1 201.229 2.055 20 0 BEADMN CN1CC[C@H](Oc2cccc3c2CCCC3=O)C1 ZINC001226042532 974766964 /nfs/dbraw/zinc/76/69/64/974766964.db2.gz DRYDEPDQHFBNAY-NSHDSACASA-N 0 1 245.322 2.289 20 0 BEADMN Oc1ccc(F)c(O[C@@H]2CN3CCC2CC3)c1 ZINC001226125816 974800997 /nfs/dbraw/zinc/80/09/97/974800997.db2.gz FDMSGQZFVZNWPX-CYBMUJFWSA-N 0 1 237.274 2.004 20 0 BEADMN C[C@@H](CCC(F)(F)F)NCc1csnn1 ZINC001331745522 974811854 /nfs/dbraw/zinc/81/18/54/974811854.db2.gz ZSQNCMHCWDQQQK-LURJTMIESA-N 0 1 239.266 2.359 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CC[C@@H](C)C2)n1 ZINC001226157013 974812308 /nfs/dbraw/zinc/81/23/08/974812308.db2.gz UTMUYUCDVCMFDZ-APPZFPTMSA-N 0 1 208.261 2.058 20 0 BEADMN CC[C@H](Oc1nc(C)cc(=O)[nH]1)C(C)C ZINC001226159782 974814058 /nfs/dbraw/zinc/81/40/58/974814058.db2.gz VYIWKYRPFPBGAH-VIFPVBQESA-N 0 1 210.277 2.304 20 0 BEADMN CC[C@@H](Oc1nc(C)cc(=O)[nH]1)C(C)C ZINC001226159781 974814631 /nfs/dbraw/zinc/81/46/31/974814631.db2.gz VYIWKYRPFPBGAH-SECBINFHSA-N 0 1 210.277 2.304 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCCC[C@@H]2F)n1 ZINC001226159491 974814714 /nfs/dbraw/zinc/81/47/14/974814714.db2.gz NWTIBVVTLSWCIZ-IUCAKERBSA-N 0 1 226.251 2.150 20 0 BEADMN CC(C)COCC[C@H](C)NCc1ncco1 ZINC001172453097 974816092 /nfs/dbraw/zinc/81/60/92/974816092.db2.gz BMESKQRNLJUAEZ-NSHDSACASA-N 0 1 226.320 2.215 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)C(F)(F)F ZINC001226300538 974849082 /nfs/dbraw/zinc/84/90/82/974849082.db2.gz ONSYABNKECCUBM-YFKPBYRVSA-N 0 1 231.177 2.288 20 0 BEADMN C[C@@H](Oc1n[nH]c2ncccc12)c1cccnc1 ZINC001226300525 974849279 /nfs/dbraw/zinc/84/92/79/974849279.db2.gz OMQPHHQSWMVYEN-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CC1(C)CC[C@@H](COc2n[nH]c3ncccc23)O1 ZINC001226299923 974850026 /nfs/dbraw/zinc/85/00/26/974850026.db2.gz IPINOOJWVQSFBQ-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN c1cnc2[nH]nc(O[C@@H]3C[C@H]4C[C@H]4C3)c2c1 ZINC001226301482 974850286 /nfs/dbraw/zinc/85/02/86/974850286.db2.gz BBRCDPGHXSWULX-AYMMMOKOSA-N 0 1 215.256 2.135 20 0 BEADMN c1cnc2[nH]nc(OC3CCCC3)c2c1 ZINC001226302786 974850549 /nfs/dbraw/zinc/85/05/49/974850549.db2.gz OUFAVHKHHCBOIS-UHFFFAOYSA-N 0 1 203.245 2.279 20 0 BEADMN COC1=CC[C@@H](Oc2n[nH]c3ncccc23)CC1 ZINC001226306288 974852276 /nfs/dbraw/zinc/85/22/76/974852276.db2.gz RPDQMZCFNHYWGU-SNVBAGLBSA-N 0 1 245.282 2.420 20 0 BEADMN C[C@@H](COc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226323440 974855505 /nfs/dbraw/zinc/85/55/05/974855505.db2.gz DSINMXZSWBESPX-JTQLQIEISA-N 0 1 246.266 2.029 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324274 974855899 /nfs/dbraw/zinc/85/58/99/974855899.db2.gz JRFDJUOYYRZDSX-KXUCPTDWSA-N 0 1 222.288 2.386 20 0 BEADMN COc1ccc([C@H](C)Oc2nccc(=O)[nH]2)cc1 ZINC001226324618 974856129 /nfs/dbraw/zinc/85/61/29/974856129.db2.gz SJLCSROLILZGJA-VIFPVBQESA-N 0 1 246.266 2.331 20 0 BEADMN C[C@H]1CCC[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226325273 974856238 /nfs/dbraw/zinc/85/62/38/974856238.db2.gz YTPWKXAGPANRHU-IUCAKERBSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@H]1CCCC[C@@H]1Oc1nccc(=O)[nH]1 ZINC001226324720 974856296 /nfs/dbraw/zinc/85/62/96/974856296.db2.gz TWRRBUJPPHUXGK-IUCAKERBSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2nccc(=O)[nH]2)[C@@H]1C ZINC001226326737 974858852 /nfs/dbraw/zinc/85/88/52/974858852.db2.gz NDUNLSTUWXWFFK-OPRDCNLKSA-N 0 1 222.288 2.386 20 0 BEADMN CC(C)(C)C[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001331933925 974875001 /nfs/dbraw/zinc/87/50/01/974875001.db2.gz JBHRJHIHHNFOIR-MRVPVSSYSA-N 0 1 242.344 2.122 20 0 BEADMN CCC=C(F)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001331940637 974877466 /nfs/dbraw/zinc/87/74/66/974877466.db2.gz UKCHRCMBTDVXDS-ALCCZGGFSA-N 0 1 226.255 2.130 20 0 BEADMN CC/C=C(\F)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001331940637 974877471 /nfs/dbraw/zinc/87/74/71/974877471.db2.gz UKCHRCMBTDVXDS-ALCCZGGFSA-N 0 1 226.255 2.130 20 0 BEADMN CC(C)[C@H]1COCCN1Cc1ccc(O)cc1 ZINC001204096599 974900964 /nfs/dbraw/zinc/90/09/64/974900964.db2.gz HVJCCOQOSBRHEB-CQSZACIVSA-N 0 1 235.327 2.249 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2ccnc(C)c2)no1 ZINC001212678512 974905596 /nfs/dbraw/zinc/90/55/96/974905596.db2.gz CLVWRJSVQVMKKZ-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1ccnc(CN)c1 ZINC001332014627 974921502 /nfs/dbraw/zinc/92/15/02/974921502.db2.gz VEBVRRJKMBLAMK-NSHDSACASA-N 0 1 249.358 2.096 20 0 BEADMN COC1CN([C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001172827489 974949536 /nfs/dbraw/zinc/94/95/36/974949536.db2.gz LIRRKUIUYGFPFZ-CQSZACIVSA-N 0 1 231.339 2.183 20 0 BEADMN CC(C)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226550851 974952792 /nfs/dbraw/zinc/95/27/92/974952792.db2.gz VEGHPDRJKWLTTB-UHFFFAOYSA-N 0 1 239.662 2.171 20 0 BEADMN CO[C@H]1CCC[C@@H](N2CCn3cccc3C2)C1 ZINC001172934401 974986357 /nfs/dbraw/zinc/98/63/57/974986357.db2.gz AVVCKWIJGXHMHB-OCCSQVGLSA-N 0 1 234.343 2.261 20 0 BEADMN CO[C@H]1CCC[C@@H](N(C)Cc2ccon2)C1 ZINC001172947507 975003354 /nfs/dbraw/zinc/00/33/54/975003354.db2.gz YSSWEEREDKJGMN-NEPJUHHUSA-N 0 1 224.304 2.064 20 0 BEADMN CCCOC1CCC(N2CC(OC)C2)CC1 ZINC001173096313 975018870 /nfs/dbraw/zinc/01/88/70/975018870.db2.gz VFMCYZPUWCZJBV-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@H]1CCc2[nH]n(C3CCC3)c(=O)c2C1 ZINC001332278992 975039317 /nfs/dbraw/zinc/03/93/17/975039317.db2.gz SZCJPXJSPBPVDS-WPRPVWTQSA-N 0 1 206.289 2.173 20 0 BEADMN CC[C@H](C)n1nc(NCc2cnc[nH]2)cc1C ZINC001332297203 975046014 /nfs/dbraw/zinc/04/60/14/975046014.db2.gz OVLXSJOIIZRFIS-VIFPVBQESA-N 0 1 233.319 2.498 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1[C@H]1CCO[C@@H](C)C1 ZINC001173173734 975052173 /nfs/dbraw/zinc/05/21/73/975052173.db2.gz QGZSOEDUEAYHCO-XQQFMLRXSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@H]1CCO[C@@H](C)C1 ZINC001173173734 975052181 /nfs/dbraw/zinc/05/21/81/975052181.db2.gz QGZSOEDUEAYHCO-XQQFMLRXSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@H]1C[C@@H]([N@H+]2CCn3cccc3[C@@H]2C)CCO1 ZINC001173173706 975052257 /nfs/dbraw/zinc/05/22/57/975052257.db2.gz QGZSOEDUEAYHCO-AVGNSLFASA-N 0 1 234.343 2.432 20 0 BEADMN C[C@H]1C[C@@H](N2CCn3cccc3[C@@H]2C)CCO1 ZINC001173173706 975052262 /nfs/dbraw/zinc/05/22/62/975052262.db2.gz QGZSOEDUEAYHCO-AVGNSLFASA-N 0 1 234.343 2.432 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)OCc1nnc[nH]1 ZINC001332338134 975063340 /nfs/dbraw/zinc/06/33/40/975063340.db2.gz AIVRWJZLBXZRHD-JOYOIKCWSA-N 0 1 237.303 2.064 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2cc[nH]c2c1)N(C)C ZINC001332352034 975067051 /nfs/dbraw/zinc/06/70/51/975067051.db2.gz GMDAUSYHTLGLRF-VIFPVBQESA-N 0 1 231.299 2.057 20 0 BEADMN CCN1CC[C@@H](Oc2cccc(O)c2C(C)=O)C1 ZINC001226773274 975072574 /nfs/dbraw/zinc/07/25/74/975072574.db2.gz GZIJZGONZDVFMG-LLVKDONJSA-N 0 1 249.310 2.068 20 0 BEADMN CC[C@H]1CC[C@H](N2Cc3cncnc3C2)C1 ZINC001173275854 975082415 /nfs/dbraw/zinc/08/24/15/975082415.db2.gz WHWAHXJQBGWNRD-JQWIXIFHSA-N 0 1 217.316 2.371 20 0 BEADMN CC(C)[C@H](C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226787286 975082969 /nfs/dbraw/zinc/08/29/69/975082969.db2.gz XANYUWZPEUTXOJ-LURJTMIESA-N 0 1 238.316 2.065 20 0 BEADMN S=c1[nH]c(O[C@H]2C=CCCC2)nc2[nH]cnc21 ZINC001226787462 975084201 /nfs/dbraw/zinc/08/42/01/975084201.db2.gz YBEXJMLPMHVBGF-ZETCQYMHSA-N 0 1 248.311 2.129 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2nccc(C)n2)C1 ZINC001173261726 975114306 /nfs/dbraw/zinc/11/43/06/975114306.db2.gz UPAYAGGAVRAVEH-NEPJUHHUSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2ncc(F)cn2)C1 ZINC001173265150 975123368 /nfs/dbraw/zinc/12/33/68/975123368.db2.gz QCMQTNUHZPISIE-MWLCHTKSSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2ncc(F)cn2)C1 ZINC001173265143 975123490 /nfs/dbraw/zinc/12/34/90/975123490.db2.gz QCMQTNUHZPISIE-GXSJLCMTSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@@H]1CC[C@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001173264393 975126604 /nfs/dbraw/zinc/12/66/04/975126604.db2.gz SFIPXUUQEZPDQI-MNOVXSKESA-N 0 1 249.291 2.113 20 0 BEADMN CN1CC[C@@H](Oc2ccc3ccc(=O)cc-3[nH]2)C1 ZINC001226910240 975146015 /nfs/dbraw/zinc/14/60/15/975146015.db2.gz SGOPOVRHLAJCRT-GFCCVEGCSA-N 0 1 244.294 2.023 20 0 BEADMN CCCOC(=O)[C@@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928930 975155167 /nfs/dbraw/zinc/15/51/67/975155167.db2.gz VJYPYXLAKKGGMJ-SECBINFHSA-N 0 1 248.282 2.283 20 0 BEADMN C[C@@H]1COCC[C@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929185 975160114 /nfs/dbraw/zinc/16/01/14/975160114.db2.gz BDKRAKGWQHDYJX-NOZJJQNGSA-N 0 1 232.283 2.367 20 0 BEADMN F[C@@H]1COCC[C@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929784 975160290 /nfs/dbraw/zinc/16/02/90/975160290.db2.gz KKPUUQBOLMNOST-BXKDBHETSA-N 0 1 236.246 2.069 20 0 BEADMN F[C@@H]1COCC[C@@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929787 975161033 /nfs/dbraw/zinc/16/10/33/975161033.db2.gz KKPUUQBOLMNOST-SKDRFNHKSA-N 0 1 236.246 2.069 20 0 BEADMN CCCc1[nH]ncc1C(=O)N(OCC)C(C)C ZINC001332494133 975175251 /nfs/dbraw/zinc/17/52/51/975175251.db2.gz OVTCSHJPGCGVFU-UHFFFAOYSA-N 0 1 239.319 2.164 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCc3cnn(C)c3C2)C1 ZINC001173296511 975180874 /nfs/dbraw/zinc/18/08/74/975180874.db2.gz UTJFMRIMEAXFBF-DGCLKSJQSA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@@H](C)Nc1cccnc1CN ZINC001173297983 975181437 /nfs/dbraw/zinc/18/14/37/975181437.db2.gz IUVCRUURERUARD-SECBINFHSA-N 0 1 225.361 2.094 20 0 BEADMN CC[C@H]1CC[C@@H](N(C)[C@@H](C)C(=O)OC)C1 ZINC001173296636 975184441 /nfs/dbraw/zinc/18/44/41/975184441.db2.gz UYNKLSMFCYVIEV-GARJFASQSA-N 0 1 213.321 2.058 20 0 BEADMN COc1nc(O[C@@H]2CCCC[C@H]2C)cc(=O)[nH]1 ZINC001227000735 975215726 /nfs/dbraw/zinc/21/57/26/975215726.db2.gz QQPUSZHJCSZNOI-RKDXNWHRSA-N 0 1 238.287 2.148 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@H](C)CSCC ZINC001173310781 975221950 /nfs/dbraw/zinc/22/19/50/975221950.db2.gz IBWKEIGPXMFHCT-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@H]1CC[C@H](N2CCn3cncc3C2)C1 ZINC001173286029 975248396 /nfs/dbraw/zinc/24/83/96/975248396.db2.gz CJSGNLUGJDWVGS-RYUDHWBXSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@@H](C)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227110840 975280985 /nfs/dbraw/zinc/28/09/85/975280985.db2.gz FHWJMWZVFHEZAT-RXMQYKEDSA-N 0 1 216.668 2.321 20 0 BEADMN CCN1CC[C@@H](N[C@@H](C(C)=O)c2ccccc2)C1 ZINC001173351970 975300310 /nfs/dbraw/zinc/30/03/10/975300310.db2.gz GTQMNJPDWIWMCO-CABCVRRESA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001332921916 975322580 /nfs/dbraw/zinc/32/25/80/975322580.db2.gz IMJYZSMGWFRTIT-NSHDSACASA-N 0 1 249.358 2.104 20 0 BEADMN c1c(CN[C@H]2C=CCCC2)nn2c1CCCC2 ZINC001332947326 975336069 /nfs/dbraw/zinc/33/60/69/975336069.db2.gz WHOBHMLPAFKTLK-LBPRGKRZSA-N 0 1 231.343 2.418 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]1 ZINC001227271646 975346352 /nfs/dbraw/zinc/34/63/52/975346352.db2.gz ZKVHYRFAIPZOKK-QXFUBDJGSA-N 0 1 245.282 2.231 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001227271149 975347100 /nfs/dbraw/zinc/34/71/00/975347100.db2.gz QWFUMUROIGNZHM-QXFUBDJGSA-N 0 1 243.266 2.007 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@H]2C=CCCC2)[nH]1 ZINC001227271573 975347141 /nfs/dbraw/zinc/34/71/41/975347141.db2.gz XRFKAAHVGHAYIT-QMMMGPOBSA-N 0 1 231.255 2.151 20 0 BEADMN COC(=O)C[C@@H](C)Oc1nc2cccc(C)c2[nH]1 ZINC001227270805 975347185 /nfs/dbraw/zinc/34/71/85/975347185.db2.gz CVYZHZSGPRITPX-SECBINFHSA-N 0 1 248.282 2.202 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1nncs1 ZINC001332992102 975358984 /nfs/dbraw/zinc/35/89/84/975358984.db2.gz SVZUXOGANKQBBS-DTWKUNHWSA-N 0 1 211.334 2.206 20 0 BEADMN Cc1n[nH]cc1CNCc1cccn1C1CC1 ZINC001333126575 975471827 /nfs/dbraw/zinc/47/18/27/975471827.db2.gz FCCJLWLXEJNDOX-UHFFFAOYSA-N 0 1 230.315 2.144 20 0 BEADMN CCOC(=O)C[C@@H]1CC[C@H](NCC(C)(F)F)C1 ZINC001173621091 975491119 /nfs/dbraw/zinc/49/11/19/975491119.db2.gz TYXDJRAQNRKZJX-ZJUUUORDSA-N 0 1 249.301 2.353 20 0 BEADMN CCC[C@H](CC)Oc1ncnc2nc[nH]c21 ZINC001227532350 975514563 /nfs/dbraw/zinc/51/45/63/975514563.db2.gz SSCVGSIRBAHZJN-QMMMGPOBSA-N 0 1 220.276 2.310 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](Oc3ncnc4nc[nH]c43)C[C@@H]21 ZINC001227536091 975520621 /nfs/dbraw/zinc/52/06/21/975520621.db2.gz XOARSXLPCBLWTK-PSVAKVPMSA-N 0 1 244.298 2.166 20 0 BEADMN C[C@@H]1CCC(C)(C)N1C(=O)c1coc(CN)c1 ZINC001333199348 975548734 /nfs/dbraw/zinc/54/87/34/975548734.db2.gz GXKNFISDGNFTPK-SECBINFHSA-N 0 1 236.315 2.141 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CCC[C@H](C)C1 ZINC001227598539 975568268 /nfs/dbraw/zinc/56/82/68/975568268.db2.gz JOGCDBMIOKFMHD-IONNQARKSA-N 0 1 239.344 2.426 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H]1CC[C@@H](C)C1 ZINC001227598593 975570618 /nfs/dbraw/zinc/57/06/18/975570618.db2.gz KQHPPMPIQDHZSM-HTRCEHHLSA-N 0 1 225.317 2.036 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC1CC=CC1 ZINC001333227254 975576562 /nfs/dbraw/zinc/57/65/62/975576562.db2.gz IGPOHLOOFPPNLK-VXGBXAGGSA-N 0 1 237.343 2.369 20 0 BEADMN CCC[C@@H](CC)Oc1nc(=O)[nH]c2c1COC2 ZINC001227689453 975618130 /nfs/dbraw/zinc/61/81/30/975618130.db2.gz GAYOANZOYRGBLI-MRVPVSSYSA-N 0 1 238.287 2.170 20 0 BEADMN C[C@H]1OCc2c1[nH]c(=O)nc2OC1CCCC1 ZINC001227712421 975626297 /nfs/dbraw/zinc/62/62/97/975626297.db2.gz LHWWLANXQYQDOL-SSDOTTSWSA-N 0 1 236.271 2.095 20 0 BEADMN COc1nc(Nc2ccc(F)cc2)cc(=O)[nH]1 ZINC001173798156 975640071 /nfs/dbraw/zinc/64/00/71/975640071.db2.gz HTWNFUQXARBURP-UHFFFAOYSA-N 0 1 235.218 2.074 20 0 BEADMN CCC(CC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227713351 975641753 /nfs/dbraw/zinc/64/17/53/975641753.db2.gz NMYFIJYDMWPWJD-SSDOTTSWSA-N 0 1 238.287 2.341 20 0 BEADMN C[C@H]1OCc2c1[nH]c(=O)nc2O[C@@H]1C=CCCC1 ZINC001227715252 975642303 /nfs/dbraw/zinc/64/23/03/975642303.db2.gz ZTSNEDAHDHFDOJ-RKDXNWHRSA-N 0 1 248.282 2.261 20 0 BEADMN Cc1ccc(Nc2cc(=O)nc(N(C)C)[nH]2)cc1 ZINC001173802912 975682482 /nfs/dbraw/zinc/68/24/82/975682482.db2.gz YLPKESWRAAAALD-UHFFFAOYSA-N 0 1 244.298 2.300 20 0 BEADMN CC(C)[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806377 975705020 /nfs/dbraw/zinc/70/50/20/975705020.db2.gz IALMEPHWWYXCMU-ZETCQYMHSA-N 0 1 221.260 2.087 20 0 BEADMN CCN1CC[C@H](Oc2nc(Cl)ccc2F)C1 ZINC001227879510 975764098 /nfs/dbraw/zinc/76/40/98/975764098.db2.gz LZHBKGCFRNXLAH-QMMMGPOBSA-N 0 1 244.697 2.347 20 0 BEADMN Cn1cncc1Nc1c(F)cccc1F ZINC001173859361 975803299 /nfs/dbraw/zinc/80/32/99/975803299.db2.gz MPGIYEFRYJXBTL-UHFFFAOYSA-N 0 1 209.199 2.442 20 0 BEADMN Nc1cncn1-c1cccc(C(F)(F)F)c1 ZINC001173823369 975836045 /nfs/dbraw/zinc/83/60/45/975836045.db2.gz ZZYKKRYWUAXODX-UHFFFAOYSA-N 0 1 227.189 2.473 20 0 BEADMN CC(=O)c1ccncc1O[C@@H]1CCN(C(C)C)C1 ZINC001228039441 975863154 /nfs/dbraw/zinc/86/31/54/975863154.db2.gz OSKDUXKCAYCECR-GFCCVEGCSA-N 0 1 248.326 2.146 20 0 BEADMN CC(=O)c1ccncc1O[C@H]1CCN(C(C)C)C1 ZINC001228039443 975864521 /nfs/dbraw/zinc/86/45/21/975864521.db2.gz OSKDUXKCAYCECR-LBPRGKRZSA-N 0 1 248.326 2.146 20 0 BEADMN COc1ccc(O[C@H]2CCC[N@@H+](C)C2)cc1F ZINC001228059896 975881150 /nfs/dbraw/zinc/88/11/50/975881150.db2.gz YZAHBXVMMQOOMH-NSHDSACASA-N 0 1 239.290 2.307 20 0 BEADMN CC(=O)c1ccc(Nc2cncn2C)cc1 ZINC001173895975 975881528 /nfs/dbraw/zinc/88/15/28/975881528.db2.gz MBGOQADWMLKYFN-UHFFFAOYSA-N 0 1 215.256 2.366 20 0 BEADMN CC(=O)c1cccc(Nc2nnco2)c1 ZINC001173898234 975885203 /nfs/dbraw/zinc/88/52/03/975885203.db2.gz ITDBLNFYGWULTH-UHFFFAOYSA-N 0 1 203.201 2.016 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ncco1 ZINC001333616750 975895505 /nfs/dbraw/zinc/89/55/05/975895505.db2.gz OBFFGMWEYMULCD-MAUMQABQSA-N 0 1 228.242 2.369 20 0 BEADMN FC(F)(F)c1cnc(Nc2ccncc2)nc1 ZINC001173879051 975911303 /nfs/dbraw/zinc/91/13/03/975911303.db2.gz BWOMADFAUWJFEZ-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN CCOc1cncc(Nc2ccncc2)c1 ZINC001173881106 975914517 /nfs/dbraw/zinc/91/45/17/975914517.db2.gz AOVRKXDKODCVTF-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN COc1cc(Cl)cnc1Nc1ccncc1 ZINC001173881248 975916708 /nfs/dbraw/zinc/91/67/08/975916708.db2.gz JDBWZFIRKJZIRX-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COc1nccc(Nc2ccncc2)c1Cl ZINC001173879503 975917078 /nfs/dbraw/zinc/91/70/78/975917078.db2.gz RLPKTUNVMXXNIO-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN Clc1ncccc1Nc1ccncc1 ZINC001173879403 975918420 /nfs/dbraw/zinc/91/84/20/975918420.db2.gz NGQQKZSNPTZACU-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN Nc1nc(Cl)n(-c2ccncc2)c2nccc1-2 ZINC001173881548 975924358 /nfs/dbraw/zinc/92/43/58/975924358.db2.gz YIVVHVFPFJPBQW-UHFFFAOYSA-N 0 1 245.673 2.003 20 0 BEADMN CC[C@@H](c1ccccc1)[S@](=O)Cc1nc[nH]n1 ZINC001333653890 975930181 /nfs/dbraw/zinc/93/01/81/975930181.db2.gz FAQUVPHCSWXGKL-APPDUMDISA-N 0 1 249.339 2.205 20 0 BEADMN CCc1ncsc1Nc1ccncc1 ZINC001173882442 975933684 /nfs/dbraw/zinc/93/36/84/975933684.db2.gz KPMWKKAQPINFHR-UHFFFAOYSA-N 0 1 205.286 2.266 20 0 BEADMN COc1cc(Cl)nc(Nc2ccncc2)c1 ZINC001173882049 975936577 /nfs/dbraw/zinc/93/65/77/975936577.db2.gz IHPWLSQIRLTPOH-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COc1ccc(Nc2ccncc2)c(OC)c1 ZINC001173882993 975941041 /nfs/dbraw/zinc/94/10/41/975941041.db2.gz AAPFZLDKTDJOBG-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN COc1ccc(OC)c(Nc2ccncc2)c1 ZINC001173882788 975941251 /nfs/dbraw/zinc/94/12/51/975941251.db2.gz UJXGOSWBBPDVAR-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN FC(F)Oc1cc(Nc2ccncc2)ccn1 ZINC001173882959 975945339 /nfs/dbraw/zinc/94/53/39/975945339.db2.gz YFBMRWNBMVQPEF-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN c1noc2ccc(Nc3ccncc3)cc12 ZINC001173883057 975946221 /nfs/dbraw/zinc/94/62/21/975946221.db2.gz DUPLMRFUTZZIFJ-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN Nc1ccc(N(c2ccncc2)C2CC2)nc1 ZINC001173882934 975947468 /nfs/dbraw/zinc/94/74/68/975947468.db2.gz WXWOXXWYKPDWJY-UHFFFAOYSA-N 0 1 226.283 2.359 20 0 BEADMN COC(=O)c1cccc(Nc2ccncc2)c1C ZINC001173882774 975949262 /nfs/dbraw/zinc/94/92/62/975949262.db2.gz SQSYBKQRYCRFAA-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN CC(C)(O)c1ccccc1Nc1ccncc1 ZINC001173883828 975952955 /nfs/dbraw/zinc/95/29/55/975952955.db2.gz VZIZGUWVDCIJJM-UHFFFAOYSA-N 0 1 228.295 2.475 20 0 BEADMN Cc1c2cc(N)ccc2nn1-c1ccncc1 ZINC001173883864 975956001 /nfs/dbraw/zinc/95/60/01/975956001.db2.gz XUGQTXOYJZCRIO-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ccc(N)c(Nc2ccncc2)c1C ZINC001173883813 975956110 /nfs/dbraw/zinc/95/61/10/975956110.db2.gz USKLQICPPLBXBF-UHFFFAOYSA-N 0 1 213.284 2.446 20 0 BEADMN Cc1cc(N)c(Nc2ccncc2)cc1F ZINC001173883382 975959768 /nfs/dbraw/zinc/95/97/68/975959768.db2.gz HROQEVHUNXDGRZ-UHFFFAOYSA-N 0 1 217.247 2.277 20 0 BEADMN [O-]c1cc(Nc2cc[nH+]cc2)cc(F)c1F ZINC001173883349 975960970 /nfs/dbraw/zinc/96/09/70/975960970.db2.gz NXFLJEGWNAXLGX-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN O=C1CCc2cccc(Nc3ccncc3)c2N1 ZINC001173884740 975966648 /nfs/dbraw/zinc/96/66/48/975966648.db2.gz YOQKWEFNZBVOBY-UHFFFAOYSA-N 0 1 239.278 2.132 20 0 BEADMN C[C@@H](O)c1ccccc1Nc1ccncc1 ZINC001173884752 975971336 /nfs/dbraw/zinc/97/13/36/975971336.db2.gz ZKWKWBFTHILSSS-SNVBAGLBSA-N 0 1 214.268 2.300 20 0 BEADMN O=C1CCc2cccc(Nc3ccncc3)c21 ZINC001173884196 975973424 /nfs/dbraw/zinc/97/34/24/975973424.db2.gz BMQMCTUIYVZEND-UHFFFAOYSA-N 0 1 224.263 2.376 20 0 BEADMN Cc1cc(N)cc2cnn(-c3ccncc3)c21 ZINC001173885301 975980295 /nfs/dbraw/zinc/98/02/95/975980295.db2.gz SGWSNVKLCALRHA-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Nc1cc(Cl)cc(Nc2ccncc2)c1 ZINC001173885004 975984481 /nfs/dbraw/zinc/98/44/81/975984481.db2.gz CDWCTHPLCLREQS-UHFFFAOYSA-N 0 1 219.675 2.483 20 0 BEADMN CC(=O)OC[C@H](C)N[C@@H](C)c1cc(C)oc1C ZINC001333706070 976014496 /nfs/dbraw/zinc/01/44/96/976014496.db2.gz DLMIENAWCGHOHO-WPRPVWTQSA-N 0 1 239.315 2.499 20 0 BEADMN c1cc(CN2CC(CC3CCOCC3)C2)ccn1 ZINC001333720211 976023527 /nfs/dbraw/zinc/02/35/27/976023527.db2.gz VQVWYCKRNROBAB-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CCc1noc(C)c1CSCc1nnc[nH]1 ZINC001333737391 976048011 /nfs/dbraw/zinc/04/80/11/976048011.db2.gz RSCQKWUDWIPCGL-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN Cc1ccc(O[C@@H]2CCC[N@H+](C)C2)nc1C ZINC001228295874 976077329 /nfs/dbraw/zinc/07/73/29/976077329.db2.gz OYLJYHYPJCEIDM-GFCCVEGCSA-N 0 1 220.316 2.171 20 0 BEADMN Cc1nc2ccc(O[C@@H]3CCOC3)cc2[nH]1 ZINC001228327455 976123693 /nfs/dbraw/zinc/12/36/93/976123693.db2.gz QXRSXGWOYIPBQE-SNVBAGLBSA-N 0 1 218.256 2.039 20 0 BEADMN COc1ccc(C)cc1-n1cnc(C)c1N ZINC001173984838 976124355 /nfs/dbraw/zinc/12/43/55/976124355.db2.gz UHZPJEVLMPEZDT-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN c1cnc(OC2COC2)c(N=C2CCCC2)c1 ZINC001173997509 976139720 /nfs/dbraw/zinc/13/97/20/976139720.db2.gz MDPMPDOAWAWDMM-UHFFFAOYSA-N 0 1 232.283 2.339 20 0 BEADMN CC(=O)c1nn(C)cc1NC1=CCCC1 ZINC001173998502 976150757 /nfs/dbraw/zinc/15/07/57/976150757.db2.gz FSCQATLOGFKZSC-UHFFFAOYSA-N 0 1 205.261 2.102 20 0 BEADMN COC(=O)c1cccc(CNC/C=C/Cl)c1 ZINC001333895565 976151410 /nfs/dbraw/zinc/15/14/10/976151410.db2.gz OJZJKXZJGBGFFI-ZZXKWVIFSA-N 0 1 239.702 2.315 20 0 BEADMN NC(=O)c1cccc(N=C2CCCC2)c1F ZINC001174000360 976161512 /nfs/dbraw/zinc/16/15/12/976161512.db2.gz SRYYRIMHOWCSMA-UHFFFAOYSA-N 0 1 220.247 2.404 20 0 BEADMN COc1nonc1Nc1cnc2ccccc2c1 ZINC001174001086 976166411 /nfs/dbraw/zinc/16/64/11/976166411.db2.gz JUGARXVQTQOTAE-UHFFFAOYSA-N 0 1 242.238 2.370 20 0 BEADMN CC(C)=CCC[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228389119 976185152 /nfs/dbraw/zinc/18/51/52/976185152.db2.gz RKQLSZMIAANKFA-SECBINFHSA-N 0 1 238.287 2.402 20 0 BEADMN CCCC[C@H]([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC001334015765 976221502 /nfs/dbraw/zinc/22/15/02/976221502.db2.gz IGNSXYNKKBTZOC-VIFPVBQESA-N 0 1 242.344 2.185 20 0 BEADMN O=c1nc(OC2CCSCC2)c(Cl)c[nH]1 ZINC001228479644 976245617 /nfs/dbraw/zinc/24/56/17/976245617.db2.gz FJNPIJLVJPNGDB-UHFFFAOYSA-N 0 1 246.719 2.110 20 0 BEADMN O=c1nc(O[C@H]2CCCC[C@@H]2F)c(Cl)c[nH]1 ZINC001228481565 976250749 /nfs/dbraw/zinc/25/07/49/976250749.db2.gz CIGFJRPXEHOKLE-YUMQZZPRSA-N 0 1 246.669 2.495 20 0 BEADMN COc1nonc1Nc1cc(C)ccc1F ZINC001174110779 976314880 /nfs/dbraw/zinc/31/48/80/976314880.db2.gz MPUIIOSVEHHBOF-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN Cc1ccncc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001174116362 976331207 /nfs/dbraw/zinc/33/12/07/976331207.db2.gz QGUXZOVECLOJAC-UHFFFAOYSA-N 0 1 236.662 2.283 20 0 BEADMN CC[C@H]1CCC[C@@H]1NCc1nnc(OC)s1 ZINC001334194049 976367975 /nfs/dbraw/zinc/36/79/75/976367975.db2.gz MVOJQZKNIPHECQ-IUCAKERBSA-N 0 1 241.360 2.215 20 0 BEADMN Cc1n[nH]c(C)c1-n1c(N)nc2ccc(C)cc21 ZINC001174213197 976391703 /nfs/dbraw/zinc/39/17/03/976391703.db2.gz OWQBLOFKJSKIKY-UHFFFAOYSA-N 0 1 241.298 2.256 20 0 BEADMN c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)cc2nn[nH]c12 ZINC001228663357 976421001 /nfs/dbraw/zinc/42/10/01/976421001.db2.gz BDRCUQPQRZMDTI-DIYOJNKTSA-N 0 1 215.256 2.135 20 0 BEADMN CC(=O)OC[C@H](C)N[C@H]1c2ccccc2O[C@@H]1C ZINC001334285319 976423930 /nfs/dbraw/zinc/42/39/30/976423930.db2.gz BDOMASOJFBUGDO-IMSIIYSGSA-N 0 1 249.310 2.050 20 0 BEADMN CC1(C)C[C@H](Oc2ccc3[nH]nnc3c2)CCO1 ZINC001228667318 976425673 /nfs/dbraw/zinc/42/56/73/976425673.db2.gz MSOIJYYTDWNFGA-SNVBAGLBSA-N 0 1 247.298 2.294 20 0 BEADMN Nc1cccc(O)c1Nc1ccc2nccn2c1 ZINC001174280398 976431388 /nfs/dbraw/zinc/43/13/88/976431388.db2.gz UOIUPJJHGBQSQV-UHFFFAOYSA-N 0 1 240.266 2.366 20 0 BEADMN Cc1ccc2nc(N)n(-c3cncc(F)c3)c2c1 ZINC001174289361 976454695 /nfs/dbraw/zinc/45/46/95/976454695.db2.gz JDYMSTKZYUEYKV-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN Cc1nn(C)cc1Nc1ccc2nccn2c1 ZINC001174276013 976503063 /nfs/dbraw/zinc/50/30/63/976503063.db2.gz OHMCTQSMAKWOFK-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Cc1c(Nc2ccc3nccn3c2)cnn1C ZINC001174276012 976507662 /nfs/dbraw/zinc/50/76/62/976507662.db2.gz OGOBVXZHVNCTCJ-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN CN1CCC[C@@H](Oc2ncc(Cl)cc2F)C1 ZINC001228832153 976509579 /nfs/dbraw/zinc/50/95/79/976509579.db2.gz QHFGNRLYJIWTNJ-SECBINFHSA-N 0 1 244.697 2.347 20 0 BEADMN Cc1nn(C)cc1Nc1cccc2[nH]ncc21 ZINC001174342667 976563641 /nfs/dbraw/zinc/56/36/41/976563641.db2.gz LBRBIYJHGLAPJE-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cn1cc(Nc2cccc3[nH]ncc32)cn1 ZINC001174341982 976565370 /nfs/dbraw/zinc/56/53/70/976565370.db2.gz DMODZRIAEFSEPU-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ncncc1Nc1cccc2[nH]ncc21 ZINC001174343902 976574404 /nfs/dbraw/zinc/57/44/04/976574404.db2.gz SXBMWNMLBZSULX-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1cccc(F)c1CN[C@H](C)[C@H](C)OC ZINC001334694921 976587919 /nfs/dbraw/zinc/58/79/19/976587919.db2.gz UFCHDIHJZCWXJZ-ZJUUUORDSA-N 0 1 241.306 2.347 20 0 BEADMN CC1(C)C[C@@H](Oc2nnc3c[nH]ccc2-3)CCO1 ZINC001228989798 976620129 /nfs/dbraw/zinc/62/01/29/976620129.db2.gz KKNSUPBKDRJGKN-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN CCN1CCC(Oc2ccc(C(C)=O)nc2)CC1 ZINC001229009357 976646253 /nfs/dbraw/zinc/64/62/53/976646253.db2.gz HESRMOPDHSEDDE-UHFFFAOYSA-N 0 1 248.326 2.147 20 0 BEADMN Cc1nsc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174498440 976717739 /nfs/dbraw/zinc/71/77/39/976717739.db2.gz DVOZMBUYNQKCKU-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN CN1CC[C@H](Oc2c(O)cccc2Cl)C1 ZINC001229117511 976723730 /nfs/dbraw/zinc/72/37/30/976723730.db2.gz LYOAXCQILCDYNB-QMMMGPOBSA-N 0 1 227.691 2.129 20 0 BEADMN Cn1ccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499589 976728844 /nfs/dbraw/zinc/72/88/44/976728844.db2.gz UJUCWRMNRYVBLL-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1noc([C@H](C)NCCc2ccc(F)cc2)n1 ZINC001335000572 976821255 /nfs/dbraw/zinc/82/12/55/976821255.db2.gz JNOOEABFUXFLNQ-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN Cc1cc(=Nc2ccncc2C)s[nH]1 ZINC001174536889 976822349 /nfs/dbraw/zinc/82/23/49/976822349.db2.gz NITZHPINFLEZGK-UHFFFAOYSA-N 0 1 205.286 2.320 20 0 BEADMN COC1(CN[C@H](c2ncccn2)C2CC2)CCC1 ZINC001335019149 976826661 /nfs/dbraw/zinc/82/66/61/976826661.db2.gz WRNLFAWOHISNMQ-LBPRGKRZSA-N 0 1 247.342 2.086 20 0 BEADMN COC1(CN[C@@H](c2ncccn2)C2CC2)CCC1 ZINC001335019147 976826714 /nfs/dbraw/zinc/82/67/14/976826714.db2.gz WRNLFAWOHISNMQ-GFCCVEGCSA-N 0 1 247.342 2.086 20 0 BEADMN COC(=O)c1ccc(OC)c(N=CC(C)C)n1 ZINC001174553192 976854535 /nfs/dbraw/zinc/85/45/35/976854535.db2.gz BJJQCMIOIAVBES-UHFFFAOYSA-N 0 1 236.271 2.212 20 0 BEADMN CC(C)=CNc1ccc(N2CCN(C)CC2)nc1 ZINC001174556812 976863536 /nfs/dbraw/zinc/86/35/36/976863536.db2.gz ILCCLOKXSRQCAK-UHFFFAOYSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1ncn(-c2cccc3[nH]ccc32)c1N ZINC001174646342 976915864 /nfs/dbraw/zinc/91/58/64/976915864.db2.gz YWSORLROAUTEDH-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000701530141 977022869 /nfs/dbraw/zinc/02/28/69/977022869.db2.gz LRHFFGFAXYEPOD-KBRXKUPHSA-N 0 1 249.354 2.219 20 0 BEADMN COCn1ncc(C)c1C[N@H+]1CCC[C@H](C)C1 ZINC001335404807 977034140 /nfs/dbraw/zinc/03/41/40/977034140.db2.gz HTVWSQQXYNWHOS-NSHDSACASA-N 0 1 237.347 2.027 20 0 BEADMN COc1ccc(O[C@H]2CCCN(C)C2)c(F)c1 ZINC001229994907 977047601 /nfs/dbraw/zinc/04/76/01/977047601.db2.gz XJKZBARFVOJEOE-NSHDSACASA-N 0 1 239.290 2.307 20 0 BEADMN Cc1cc2[nH]ncc2cc1O[C@H]1CCCOC1 ZINC001230223839 977133755 /nfs/dbraw/zinc/13/37/55/977133755.db2.gz VOECSMKOOXTTKK-NSHDSACASA-N 0 1 232.283 2.429 20 0 BEADMN c1cc2n(n1)CCN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC001174871682 977137607 /nfs/dbraw/zinc/13/76/07/977137607.db2.gz FXKQBCBUTUPUIP-OCCSQVGLSA-N 0 1 231.343 2.135 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H](C)CC(C)C)n1 ZINC001230279111 977159024 /nfs/dbraw/zinc/15/90/24/977159024.db2.gz CEVPSEQWDZGDOJ-MRVPVSSYSA-N 0 1 226.276 2.010 20 0 BEADMN CC[C@H](Oc1nc(C(=O)OC)c[nH]1)C(C)C ZINC001230282103 977159837 /nfs/dbraw/zinc/15/98/37/977159837.db2.gz OWGCMGIGBMTRQX-VIFPVBQESA-N 0 1 226.276 2.010 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H]2CCCC[C@H]2C)n1 ZINC001230280550 977160262 /nfs/dbraw/zinc/16/02/62/977160262.db2.gz VFGLYAOXCCEMBH-SCZZXKLOSA-N 0 1 238.287 2.154 20 0 BEADMN CN(C)c1cccc(Nc2cncn2C)c1 ZINC001174962676 977193514 /nfs/dbraw/zinc/19/35/14/977193514.db2.gz NXMUZXDKFCMKAG-UHFFFAOYSA-N 0 1 216.288 2.230 20 0 BEADMN COc1cccc(F)c1Nc1ccnc(CO)c1 ZINC001174991147 977197859 /nfs/dbraw/zinc/19/78/59/977197859.db2.gz PHDWKETYHHXLAS-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN COc1c(C)cc(-n2cnc(C)c2N)cc1C ZINC001174997856 977200969 /nfs/dbraw/zinc/20/09/69/977200969.db2.gz OBULIDLIPMBMOM-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN CCCC(=O)N(C)C[C@@H]1CCN1CC=C(C)C ZINC001230620245 977276881 /nfs/dbraw/zinc/27/68/81/977276881.db2.gz UEZKCTZHCBJOOB-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](F)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC001335807495 977294469 /nfs/dbraw/zinc/29/44/69/977294469.db2.gz VNLWLTZECIQPTR-VIFPVBQESA-N 0 1 249.289 2.236 20 0 BEADMN Fc1cnccc1Nc1ccc2nccn2c1 ZINC001175197603 977298800 /nfs/dbraw/zinc/29/88/00/977298800.db2.gz XRBAJGNQMXTTJD-UHFFFAOYSA-N 0 1 228.230 2.034 20 0 BEADMN CCOc1cccc(F)c1-n1cnc(C)c1N ZINC001175224301 977336554 /nfs/dbraw/zinc/33/65/54/977336554.db2.gz WJHMGXCVAKNKJA-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)c(C)c1 ZINC001175243335 977343074 /nfs/dbraw/zinc/34/30/74/977343074.db2.gz XJVYKXNMDUQLDN-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN CO[C@H](C)COc1cc2[nH]ncc2c(F)c1 ZINC001230930281 977387420 /nfs/dbraw/zinc/38/74/20/977387420.db2.gz AZNVXGHCNTUIPO-SSDOTTSWSA-N 0 1 224.235 2.116 20 0 BEADMN Cn1cncc1Nc1ccc2nccnc2c1 ZINC001175487515 977446064 /nfs/dbraw/zinc/44/60/64/977446064.db2.gz UYMCIZJKRIVVDG-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN COc1ccc2nc(N)n(-c3cncs3)c2c1 ZINC001175496246 977450909 /nfs/dbraw/zinc/45/09/09/977450909.db2.gz YRTMAEONYDUFGW-UHFFFAOYSA-N 0 1 246.295 2.073 20 0 BEADMN COc1ccc(CNCCNc2ccccc2)o1 ZINC001336063622 977473402 /nfs/dbraw/zinc/47/34/02/977473402.db2.gz WGEYSZIWJWWVKZ-UHFFFAOYSA-N 0 1 246.310 2.490 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cnn(C)c1 ZINC001175526540 977505835 /nfs/dbraw/zinc/50/58/35/977505835.db2.gz YKNAZTRTVUSMPJ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nonc1Nc1c2cn[nH]c2ccc1C ZINC001175525902 977508911 /nfs/dbraw/zinc/50/89/11/977508911.db2.gz ORZUIPDYABEPQK-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2nn(C)cc21 ZINC001175589286 977519767 /nfs/dbraw/zinc/51/97/67/977519767.db2.gz FNGJPLSGQSWOSQ-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN Cc1cncc([C@H]2CCCN2CC2=NOCC2)c1 ZINC001175552305 977529950 /nfs/dbraw/zinc/52/99/50/977529950.db2.gz SLOMAMPMMIAEMD-CQSZACIVSA-N 0 1 245.326 2.303 20 0 BEADMN COc1nn(C)cc1NC=CC(C)(C)C ZINC001175569434 977557197 /nfs/dbraw/zinc/55/71/97/977557197.db2.gz QKGMJHDTNYKAOL-VOTSOKGWSA-N 0 1 209.293 2.400 20 0 BEADMN Cc1cccnc1NC1=CCCN(C)C1 ZINC001175572848 977566667 /nfs/dbraw/zinc/56/66/67/977566667.db2.gz KUZQJOSLXIJNHZ-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN CC(C)n1cc(NC2=CCCN(C)C2)cn1 ZINC001175575384 977570400 /nfs/dbraw/zinc/57/04/00/977570400.db2.gz TXILRRIOAMILAT-UHFFFAOYSA-N 0 1 220.320 2.095 20 0 BEADMN Cn1c2ccccc2nc1NC1=CCCN(C)C1 ZINC001175574448 977572683 /nfs/dbraw/zinc/57/26/83/977572683.db2.gz XFMLDJQWFBZLCV-UHFFFAOYSA-N 0 1 242.326 2.205 20 0 BEADMN COc1cncc(NC2=CCCN(C)C2)c1C ZINC001175574417 977574651 /nfs/dbraw/zinc/57/46/51/977574651.db2.gz VNJCGBFZEBZDIR-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN COc1nc(C)ccc1NC1=CCCN(C)C1 ZINC001175575445 977578334 /nfs/dbraw/zinc/57/83/34/977578334.db2.gz VPGJSUAAAPKIIE-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN CN1CCC=C(Nc2cccc3c2OCO3)C1 ZINC001175576676 977587681 /nfs/dbraw/zinc/58/76/81/977587681.db2.gz PBSMOWRDVNPWSG-UHFFFAOYSA-N 0 1 232.283 2.047 20 0 BEADMN CSc1cc(NC2=CCCN(C)C2)ccn1 ZINC001175577834 977589487 /nfs/dbraw/zinc/58/94/87/977589487.db2.gz WVPMDIMUWZHIDI-UHFFFAOYSA-N 0 1 235.356 2.435 20 0 BEADMN CN1CCC=C(Nc2ccc(O)c(F)c2)C1 ZINC001175577098 977592149 /nfs/dbraw/zinc/59/21/49/977592149.db2.gz VVKXWYKSSLSJDT-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN Cc1cccnc1CN1CCO[C@H](C)CC1 ZINC001336268048 977607709 /nfs/dbraw/zinc/60/77/09/977607709.db2.gz MYCYSTVGYHRRRQ-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H]1CN(Cc2c[nH]c3cccnc23)C[C@H](C)O1 ZINC001231486151 977609955 /nfs/dbraw/zinc/60/99/55/977609955.db2.gz MZJMOSLUKUQPPU-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cnccn3)cc21 ZINC001175692929 977621682 /nfs/dbraw/zinc/62/16/82/977621682.db2.gz QSFOWUUBSITLFI-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(C[C@]2(C)CCC[N@H+]2CC(=O)[O-])cc1 ZINC001594354587 977624209 /nfs/dbraw/zinc/62/42/09/977624209.db2.gz GGEQZPGIGLUUQO-HNNXBMFYSA-N 0 1 247.338 2.477 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ccn[nH]c3=O)cc12 ZINC001175695222 977626497 /nfs/dbraw/zinc/62/64/97/977626497.db2.gz YTQBKSQSTCYLFM-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN CCC(CC)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000150176431 1170023505 /nfs/dbraw/zinc/02/35/05/1170023505.db2.gz VFJQJTNFYUBUCG-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1[nH]nc2cc(Nc3cnc[nH]c3=O)ccc12 ZINC001175659416 977637131 /nfs/dbraw/zinc/63/71/31/977637131.db2.gz ATDORLUIMOHFNZ-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1ccc2c(c1)CC[N@@H+]([C@@H](C(=O)[O-])C1CC1)C2 ZINC001594390696 977644331 /nfs/dbraw/zinc/64/43/31/977644331.db2.gz VDIZIFIARRSLFN-CQSZACIVSA-N 0 1 245.322 2.216 20 0 BEADMN Cc1coc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001594436066 977658335 /nfs/dbraw/zinc/65/83/35/977658335.db2.gz QCSNRLWQXNTMCY-QWHCGFSZSA-N 0 1 249.310 2.131 20 0 BEADMN CCc1ccc(CN2CCC[C@]3(CCO3)C2)nc1 ZINC001231642007 977659745 /nfs/dbraw/zinc/65/97/45/977659745.db2.gz NJIWDNOPCFRRBV-HNNXBMFYSA-N 0 1 246.354 2.399 20 0 BEADMN CCOc1ccc(CN2CCC(F)CC2)cn1 ZINC001231650319 977664111 /nfs/dbraw/zinc/66/41/11/977664111.db2.gz YESYINYXAWUVBC-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1[nH+]cn(CCC2(C(=O)[O-])CCC2)c1C ZINC001594475422 977677349 /nfs/dbraw/zinc/67/73/49/977677349.db2.gz OKHGTVNVZBAFMF-UHFFFAOYSA-N 0 1 222.288 2.145 20 0 BEADMN CCOc1ccc(Nc2c(C)ncn2C)cn1 ZINC001175739755 977678989 /nfs/dbraw/zinc/67/89/89/977678989.db2.gz GBBQQBKTIBHJJI-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN C[C@@H](Cc1ccsc1)Nc1nccnc1CN ZINC001336495157 977713644 /nfs/dbraw/zinc/71/36/44/977713644.db2.gz NURKTNRZDUIXRR-VIFPVBQESA-N 0 1 248.355 2.040 20 0 BEADMN Cc1ccc([C@@H](C)Nc2nccnc2CN)cc1 ZINC001336485738 977714072 /nfs/dbraw/zinc/71/40/72/977714072.db2.gz JNKXXIDPRTXXMN-LLVKDONJSA-N 0 1 242.326 2.417 20 0 BEADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)CC1COC1 ZINC001231737814 977715137 /nfs/dbraw/zinc/71/51/37/977715137.db2.gz WBRPWCMFZBNHKB-UHFFFAOYSA-N 0 1 241.718 2.124 20 0 BEADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)CC1COC1 ZINC001231737814 977715144 /nfs/dbraw/zinc/71/51/44/977715144.db2.gz WBRPWCMFZBNHKB-UHFFFAOYSA-N 0 1 241.718 2.124 20 0 BEADMN CCOc1ncccc1CN(C)CC1CC1 ZINC001231760501 977731683 /nfs/dbraw/zinc/73/16/83/977731683.db2.gz LNTRUKXJYCYSQG-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CCCN(C)Cc1cccnc1OCC ZINC001231761462 977731772 /nfs/dbraw/zinc/73/17/72/977731772.db2.gz ZSFFSZCHXLBQNR-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2nccnc2CN)[C@H](C)C1 ZINC001336514258 977735429 /nfs/dbraw/zinc/73/54/29/977735429.db2.gz SSWRZHZAEHWCML-GMTAPVOTSA-N 0 1 234.347 2.172 20 0 BEADMN CC/C=C(/C)C(=O)N(C)C1CN(CC(C)C)C1 ZINC001277564924 977738748 /nfs/dbraw/zinc/73/87/48/977738748.db2.gz RFTFOVIRFFLECE-GHXNOFRVSA-N 0 1 238.375 2.141 20 0 BEADMN CSc1ccccc1CN1CC2(COC2)C1 ZINC001231784366 977748713 /nfs/dbraw/zinc/74/87/13/977748713.db2.gz WEFGGAOOHONQSX-UHFFFAOYSA-N 0 1 235.352 2.241 20 0 BEADMN Nc1nccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC001336532311 977758439 /nfs/dbraw/zinc/75/84/39/977758439.db2.gz PALKCDBPMNMDJR-HBNTYKKESA-N 0 1 232.331 2.440 20 0 BEADMN COc1cccc(-n2cnc(C)c2N)c1Cl ZINC001175893827 977771967 /nfs/dbraw/zinc/77/19/67/977771967.db2.gz ICTPYZIMNSZNDS-UHFFFAOYSA-N 0 1 237.690 2.425 20 0 BEADMN Cc1cnc([C@@H](C)CNc2ccnc(N)n2)s1 ZINC001336577487 977792957 /nfs/dbraw/zinc/79/29/57/977792957.db2.gz OUKUVKOEERZSFT-ZETCQYMHSA-N 0 1 249.343 2.039 20 0 BEADMN CC[C@H]1CCCCN1Cc1cnc(OC)cn1 ZINC001231935328 977802839 /nfs/dbraw/zinc/80/28/39/977802839.db2.gz DWIIKXGRDXTYHH-LBPRGKRZSA-N 0 1 235.331 2.250 20 0 BEADMN COc1cnc(CN2CCC(C(C)C)CC2)cn1 ZINC001231935098 977804075 /nfs/dbraw/zinc/80/40/75/977804075.db2.gz AJYUTCYGHFWCHC-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN COC(=O)c1ncsc1Nc1cscn1 ZINC001175941136 977804083 /nfs/dbraw/zinc/80/40/83/977804083.db2.gz MNURSJJKKXCJJI-UHFFFAOYSA-N 0 1 241.297 2.130 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)cn1 ZINC001231938199 977807435 /nfs/dbraw/zinc/80/74/35/977807435.db2.gz AODATGYJSIFKPM-RYUDHWBXSA-N 0 1 249.358 2.353 20 0 BEADMN CCCC1CCN(Cc2cnc(OC)cn2)CC1 ZINC001231938113 977807637 /nfs/dbraw/zinc/80/76/37/977807637.db2.gz PUWDDXFVJVFQFM-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C2CC2)c1 ZINC001175957619 977822637 /nfs/dbraw/zinc/82/26/37/977822637.db2.gz DNOWUEIUYJFYPM-UHFFFAOYSA-N 0 1 217.276 2.004 20 0 BEADMN COc1cc(Nc2ccc3nn[nH]c3c2)ccn1 ZINC001175995808 977829900 /nfs/dbraw/zinc/82/99/00/977829900.db2.gz KEWKHRTWUCZCEK-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1cc(Nc2ccc3n[nH]nc3c2)ccn1 ZINC001175995808 977829902 /nfs/dbraw/zinc/82/99/02/977829902.db2.gz KEWKHRTWUCZCEK-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CCN(Cc1ccccc1)Cc1ccc(=O)[nH]n1 ZINC001232022674 977851070 /nfs/dbraw/zinc/85/10/70/977851070.db2.gz WMFYMNAPIJXIFW-UHFFFAOYSA-N 0 1 243.310 2.204 20 0 BEADMN Cc1ccc(Nc2ccc3nn[nH]c3c2)nc1 ZINC001175995242 977851254 /nfs/dbraw/zinc/85/12/54/977851254.db2.gz AGRHHUVHYUFTES-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(Nc2ccc3n[nH]nc3c2)nc1 ZINC001175995242 977851259 /nfs/dbraw/zinc/85/12/59/977851259.db2.gz AGRHHUVHYUFTES-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc(=O)[nH]n2)cc1 ZINC001232024552 977852975 /nfs/dbraw/zinc/85/29/75/977852975.db2.gz NXQGKWDHBWWWIC-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN Fc1cc(Nc2ccc3nn[nH]c3c2)cc(F)n1 ZINC001175999043 977853934 /nfs/dbraw/zinc/85/39/34/977853934.db2.gz UDIANTZLUIWERK-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1cc(Nc2ccc3n[nH]nc3c2)cc(F)n1 ZINC001175999043 977853940 /nfs/dbraw/zinc/85/39/40/977853940.db2.gz UDIANTZLUIWERK-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Cc1ncnc(C)c1Nc1ccc2nn[nH]c2c1 ZINC001175999358 977857041 /nfs/dbraw/zinc/85/70/41/977857041.db2.gz ZNUAVMNDPONEHG-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1ncnc(C)c1Nc1ccc2n[nH]nc2c1 ZINC001175999358 977857047 /nfs/dbraw/zinc/85/70/47/977857047.db2.gz ZNUAVMNDPONEHG-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN COc1cccnc1Nc1ccc2nn[nH]c2c1 ZINC001175998831 977857216 /nfs/dbraw/zinc/85/72/16/977857216.db2.gz IPAAPKNHPWQPHW-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1cccnc1Nc1ccc2n[nH]nc2c1 ZINC001175998831 977857219 /nfs/dbraw/zinc/85/72/19/977857219.db2.gz IPAAPKNHPWQPHW-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Clc1nccnc1Nc1ccc2nn[nH]c2c1 ZINC001175997062 977857408 /nfs/dbraw/zinc/85/74/08/977857408.db2.gz ZIMGGQWOSCXTOL-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1nccnc1Nc1ccc2n[nH]nc2c1 ZINC001175997062 977857409 /nfs/dbraw/zinc/85/74/09/977857409.db2.gz ZIMGGQWOSCXTOL-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cncnc1Nc1ccc2nn[nH]c2c1 ZINC001175996349 977858354 /nfs/dbraw/zinc/85/83/54/977858354.db2.gz QSSMLRCZXIJZIF-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cncnc1Nc1ccc2n[nH]nc2c1 ZINC001175996349 977858358 /nfs/dbraw/zinc/85/83/58/977858358.db2.gz QSSMLRCZXIJZIF-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Nc1cncn1-c1ccccc1OC(F)F ZINC001176012763 977861158 /nfs/dbraw/zinc/86/11/58/977861158.db2.gz QJZUAUBBFLYQEN-UHFFFAOYSA-N 0 1 225.198 2.056 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC001594873375 977862949 /nfs/dbraw/zinc/86/29/49/977862949.db2.gz NJDQKPPKZSPCKT-VHSXEESVSA-N 0 1 245.388 2.313 20 0 BEADMN Cn1cncc1Nc1cccc2c1OCC2 ZINC001176074133 977868447 /nfs/dbraw/zinc/86/84/47/977868447.db2.gz ICIMEVKWATWZLK-UHFFFAOYSA-N 0 1 215.256 2.099 20 0 BEADMN O=c1cc(Nc2ncc[nH]2)n(C2CCCC2)[nH]1 ZINC001176079410 977873252 /nfs/dbraw/zinc/87/32/52/977873252.db2.gz IVZDXGSDCNQQJW-UHFFFAOYSA-N 0 1 233.275 2.171 20 0 BEADMN c1c[nH]c(Nc2cccc(C3CC3)n2)n1 ZINC001176082387 977879412 /nfs/dbraw/zinc/87/94/12/977879412.db2.gz IMFIOLSNVPMJAD-UHFFFAOYSA-N 0 1 200.245 2.426 20 0 BEADMN CCOC(=O)c1ccc(F)cc1Nc1ncc[nH]1 ZINC001176084392 977883590 /nfs/dbraw/zinc/88/35/90/977883590.db2.gz NPFILCPQVXHEML-UHFFFAOYSA-N 0 1 249.245 2.469 20 0 BEADMN CC(=O)c1ccc(Nc2ncc[nH]2)c(F)c1 ZINC001176084091 977883620 /nfs/dbraw/zinc/88/36/20/977883620.db2.gz ITZATDMSHZCYGV-UHFFFAOYSA-N 0 1 219.219 2.495 20 0 BEADMN COc1cc(OC)c(Nc2ncc[nH]2)c(OC)c1 ZINC001176084972 977887512 /nfs/dbraw/zinc/88/75/12/977887512.db2.gz ZLZVRVSQLHHJGH-UHFFFAOYSA-N 0 1 249.270 2.179 20 0 BEADMN C[C@H]1CCN1Cc1cc2ccncc2[nH]1 ZINC001232089954 977890120 /nfs/dbraw/zinc/89/01/20/977890120.db2.gz HUVAKIFPFBRHNQ-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN CC=C(C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001336732226 977891709 /nfs/dbraw/zinc/89/17/09/977891709.db2.gz RAAIAANBACVPJV-QPJJXVBHSA-N 0 1 230.271 2.171 20 0 BEADMN Oc1c(F)cc(F)cc1Nc1ncc[nH]1 ZINC001176090713 977894137 /nfs/dbraw/zinc/89/41/37/977894137.db2.gz NTHOHWZBRSWZBF-UHFFFAOYSA-N 0 1 211.171 2.137 20 0 BEADMN c1cc(CN2CC[C@H]3OCCC[C@H]3C2)sn1 ZINC001232189165 977910434 /nfs/dbraw/zinc/91/04/34/977910434.db2.gz DMAMRYDBTHBCET-CMPLNLGQSA-N 0 1 238.356 2.144 20 0 BEADMN Clc1cccc(N=C2CCOCC2)n1 ZINC001176139663 977916582 /nfs/dbraw/zinc/91/65/82/977916582.db2.gz FMPOPMSJGMHTTH-UHFFFAOYSA-N 0 1 210.664 2.451 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001595048444 977928781 /nfs/dbraw/zinc/92/87/81/977928781.db2.gz SFLRPIIHMCGCBL-LBPRGKRZSA-N 0 1 237.274 2.437 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](C)[C@@H]1CO ZINC001232204601 977934298 /nfs/dbraw/zinc/93/42/98/977934298.db2.gz SCTXLUODIVFYRT-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC001232210872 977935685 /nfs/dbraw/zinc/93/56/85/977935685.db2.gz UUASYKYGDULHGJ-XYPYZODXSA-N 0 1 240.372 2.187 20 0 BEADMN COCC1CN(Cc2ccnc(C(C)(C)C)c2)C1 ZINC001232211986 977937836 /nfs/dbraw/zinc/93/78/36/977937836.db2.gz GVNFBBYQNMQHCR-UHFFFAOYSA-N 0 1 248.370 2.457 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cnsc1 ZINC001232225217 977941580 /nfs/dbraw/zinc/94/15/80/977941580.db2.gz XEFSKBQBOJDWAZ-NSHDSACASA-N 0 1 226.345 2.144 20 0 BEADMN CC1(C)CN(Cc2cnsc2)CCCO1 ZINC001232227653 977956808 /nfs/dbraw/zinc/95/68/08/977956808.db2.gz QXNDQTGMVOGEIJ-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1cc(N)nc(N[C@@H](C)c2cncc(F)c2)n1 ZINC001336798050 977970352 /nfs/dbraw/zinc/97/03/52/977970352.db2.gz OXGPTPDCZCGXHW-QMMMGPOBSA-N 0 1 247.277 2.074 20 0 BEADMN Cc1noc(C)c1-n1c(N)nc2ccccc21 ZINC001176175780 977973261 /nfs/dbraw/zinc/97/32/61/977973261.db2.gz GKNNVDZBDSLGAX-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN c1ccc2c(c1)ccnc2CN1CC2(COC2)C1 ZINC001232248017 977975988 /nfs/dbraw/zinc/97/59/88/977975988.db2.gz OHQNRJACEBJRDK-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN COCc1cccc(CN2CCC[C@H]3C[C@H]32)n1 ZINC001232258355 977978696 /nfs/dbraw/zinc/97/86/96/977978696.db2.gz HDOSZSNISCVJDF-SMDDNHRTSA-N 0 1 232.327 2.212 20 0 BEADMN Oc1ccc(CN2CC[C@H](F)C2)c2cccnc12 ZINC001232271872 977985458 /nfs/dbraw/zinc/98/54/58/977985458.db2.gz GTTZGCZYBPTNQU-NSHDSACASA-N 0 1 246.285 2.484 20 0 BEADMN Cc1ncn(/C=C/Cc2ccccc2)c1N ZINC001176216211 977992301 /nfs/dbraw/zinc/99/23/01/977992301.db2.gz ACNHDLGTBGUJKT-WEVVVXLNSA-N 0 1 213.284 2.487 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)c(C)n1 ZINC001232333220 978008971 /nfs/dbraw/zinc/00/89/71/978008971.db2.gz ZZWSGNQYUZQTAJ-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN COc1cc(C)c(CN2CC3(CCC3)C2)cn1 ZINC001232351405 978030498 /nfs/dbraw/zinc/03/04/98/978030498.db2.gz XTGDYPLSFBGSOB-UHFFFAOYSA-N 0 1 232.327 2.385 20 0 BEADMN Fc1ccc2nc(CN3CCCC3)cn2c1 ZINC001232409127 978051920 /nfs/dbraw/zinc/05/19/20/978051920.db2.gz DUMMENZTQCZBAT-UHFFFAOYSA-N 0 1 219.263 2.069 20 0 BEADMN C[C@H]1CCCN1Cc1cn2cc(F)ccc2n1 ZINC001232408959 978052361 /nfs/dbraw/zinc/05/23/61/978052361.db2.gz BNAUOBNNDANFOP-JTQLQIEISA-N 0 1 233.290 2.458 20 0 BEADMN Fc1ccc2nc(CN3CCC[C@@H]4C[C@@H]43)cn2c1 ZINC001232414717 978058356 /nfs/dbraw/zinc/05/83/56/978058356.db2.gz OZJXLJPTGLXORK-MFKMUULPSA-N 0 1 245.301 2.458 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2n[nH]c3c2CCC3)C1 ZINC001232425155 978065372 /nfs/dbraw/zinc/06/53/72/978065372.db2.gz UINWUTKMRHJQAO-UWVGGRQHSA-N 0 1 237.322 2.078 20 0 BEADMN Cc1ncc(CN(C)Cc2cccc(O)c2)[nH]1 ZINC001232459665 978088755 /nfs/dbraw/zinc/08/87/55/978088755.db2.gz GEWYOMHHSCCYBX-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN Cc1cccc(F)c1CN1CCN(C2CC2)CC1 ZINC001232482308 978132678 /nfs/dbraw/zinc/13/26/78/978132678.db2.gz PSLVQIDWHNWGAF-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN CC[C@H](C)N(C)Cc1c(OC)cncc1OC ZINC001232502887 978152367 /nfs/dbraw/zinc/15/23/67/978152367.db2.gz VGQBSWJGKBABCC-JTQLQIEISA-N 0 1 238.331 2.329 20 0 BEADMN Nc1ccc(F)cc1CN1CC2(CCC2)C1 ZINC001232509593 978158069 /nfs/dbraw/zinc/15/80/69/978158069.db2.gz MOMAPNOGPODHAP-UHFFFAOYSA-N 0 1 220.291 2.394 20 0 BEADMN CO[C@@H]1CCCN(Cc2cccc(CF)n2)C1 ZINC001232534422 978160753 /nfs/dbraw/zinc/16/07/53/978160753.db2.gz CZKHBZPZPWYTTC-CYBMUJFWSA-N 0 1 238.306 2.162 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1c1nccnc1CN ZINC001337100906 978164969 /nfs/dbraw/zinc/16/49/69/978164969.db2.gz RFXKYACPTNSVMC-YPMHNXCESA-N 0 1 248.374 2.340 20 0 BEADMN CN(Cc1cccc(CF)n1)[C@H]1CCCOC1 ZINC001232541502 978166605 /nfs/dbraw/zinc/16/66/05/978166605.db2.gz WTUTUSIXLFWYAK-ZDUSSCGKSA-N 0 1 238.306 2.162 20 0 BEADMN CSCCN(C)Cc1cccc(CF)n1 ZINC001232537687 978167266 /nfs/dbraw/zinc/16/72/66/978167266.db2.gz HQIZANUJPPSLSK-UHFFFAOYSA-N 0 1 228.336 2.346 20 0 BEADMN C[N@@H+](Cc1cccc(CF)n1)CC1(C)COC1 ZINC001232536500 978167919 /nfs/dbraw/zinc/16/79/19/978167919.db2.gz GWFYXGLIIQGIED-UHFFFAOYSA-N 0 1 238.306 2.019 20 0 BEADMN Cn1cncc1Nc1cccnc1N1CCCC1 ZINC001176750753 978171595 /nfs/dbraw/zinc/17/15/95/978171595.db2.gz VRYWTJMXCYRIOO-UHFFFAOYSA-N 0 1 243.314 2.159 20 0 BEADMN CN(Cc1cc2ccoc2cn1)[C@@H]1CCOC1 ZINC001232553279 978174596 /nfs/dbraw/zinc/17/45/96/978174596.db2.gz NCXIUWPEXRVJKL-GFCCVEGCSA-N 0 1 232.283 2.049 20 0 BEADMN COCOc1ccc(F)cc1Nc1ccncc1 ZINC001176714332 978175427 /nfs/dbraw/zinc/17/54/27/978175427.db2.gz MNUMTUZXMHXBJP-UHFFFAOYSA-N 0 1 248.257 2.369 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)CCc1cc(C)[nH]n1 ZINC001596159872 978176216 /nfs/dbraw/zinc/17/62/16/978176216.db2.gz BDXXNUSQLSCRBF-YPMHNXCESA-N 0 1 249.358 2.346 20 0 BEADMN CC1(O)CCN(Cc2cc3ccoc3cn2)CC1 ZINC001232549652 978176240 /nfs/dbraw/zinc/17/62/40/978176240.db2.gz JSJWIKRPIWIXSV-UHFFFAOYSA-N 0 1 246.310 2.175 20 0 BEADMN C[C@@H]1COCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550023 978178206 /nfs/dbraw/zinc/17/82/06/978178206.db2.gz PSAQPSGGICPMON-NSHDSACASA-N 0 1 246.310 2.296 20 0 BEADMN C[C@@H]1COCCN(Cc2cc3ccoc3cn2)C1 ZINC001232550023 978178210 /nfs/dbraw/zinc/17/82/10/978178210.db2.gz PSAQPSGGICPMON-NSHDSACASA-N 0 1 246.310 2.296 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cc3ccoc3cn2)C1 ZINC001232556643 978182871 /nfs/dbraw/zinc/18/28/71/978182871.db2.gz KJJPATWSBJITGP-JTQLQIEISA-N 0 1 246.310 2.295 20 0 BEADMN FC[C@H]1[C@@H]2CN(Cc3nc4ccccc4o3)C[C@H]12 ZINC001232558783 978183540 /nfs/dbraw/zinc/18/35/40/978183540.db2.gz VNLVBCAZAUZVDC-RTCCRHLQSA-N 0 1 246.285 2.475 20 0 BEADMN NCc1nccnc1NC[C@H]1CCC[C@H]1C1CC1 ZINC001337192586 978210030 /nfs/dbraw/zinc/21/00/30/978210030.db2.gz OYVQAQAELGCXGL-NEPJUHHUSA-N 0 1 246.358 2.174 20 0 BEADMN Cn1ncnc1CN1CCC[C@@H](C2CCCC2)C1 ZINC001176932859 978247078 /nfs/dbraw/zinc/24/70/78/978247078.db2.gz SFPKNCIBCFAOBC-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN Cc1c(CN2CC[C@](C)(O)C2)ccnc1Cl ZINC001232752140 978250326 /nfs/dbraw/zinc/25/03/26/978250326.db2.gz RCYCHMPXPCHEAK-LBPRGKRZSA-N 0 1 240.734 2.000 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cc(C)ns1 ZINC001176915368 978259188 /nfs/dbraw/zinc/25/91/88/978259188.db2.gz JOENZJBPQXGSNK-MNOVXSKESA-N 0 1 226.345 2.061 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(O)c(C)c1 ZINC001596842578 978259030 /nfs/dbraw/zinc/25/90/30/978259030.db2.gz AFQUNMIKFLANPU-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C=C/C=C\CCNC(=O)c1cccc(F)c1O ZINC001596839837 978260079 /nfs/dbraw/zinc/26/00/79/978260079.db2.gz RBTYBSPCSWALHX-ARJAWSKDSA-N 0 1 235.258 2.393 20 0 BEADMN CCCn1cnc(CN2CCC[C@@H]2C)c1 ZINC001232795878 978280694 /nfs/dbraw/zinc/28/06/94/978280694.db2.gz POJVDTNSPDHSLW-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN Cc1ccc(CCN(C)Cc2ccn(C)n2)cc1 ZINC001206293730 978293259 /nfs/dbraw/zinc/29/32/59/978293259.db2.gz YYDZDRAHFDZQMA-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN Cc1cc(O)cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001232878522 978317786 /nfs/dbraw/zinc/31/77/86/978317786.db2.gz OMAQZEUVIQJDJT-BETUJISGSA-N 0 1 245.322 2.397 20 0 BEADMN Cc1cc(O)cc(CN2CC3(CSC3)C2)c1 ZINC001232882558 978320461 /nfs/dbraw/zinc/32/04/61/978320461.db2.gz WJSYLGKEJNVKLP-UHFFFAOYSA-N 0 1 235.352 2.249 20 0 BEADMN CCc1ncc(CNCc2ccc(C)nc2)cn1 ZINC001177308422 978329562 /nfs/dbraw/zinc/32/95/62/978329562.db2.gz SXAJKMJDDNRRPK-UHFFFAOYSA-N 0 1 242.326 2.032 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2ncoc2c1 ZINC001232945640 978357546 /nfs/dbraw/zinc/35/75/46/978357546.db2.gz GBEPAAVRODDIDE-NSHDSACASA-N 0 1 232.283 2.049 20 0 BEADMN CN(C(=O)c1ccc(CN2CCCC2)o1)C1CC1 ZINC001597738933 978362061 /nfs/dbraw/zinc/36/20/61/978362061.db2.gz RFHUYBSPYSFVGL-UHFFFAOYSA-N 0 1 248.326 2.110 20 0 BEADMN COC[C@H]1CCCN1Cc1cc(F)cnc1C ZINC001232986089 978380887 /nfs/dbraw/zinc/38/08/87/978380887.db2.gz LCJSZBWAVHOLCY-CYBMUJFWSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)CC1(C)CC1 ZINC001337522045 978389193 /nfs/dbraw/zinc/38/91/93/978389193.db2.gz MJDBAZWRVKZMAP-UHFFFAOYSA-N 0 1 244.298 2.395 20 0 BEADMN Cc1ncc(F)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001232991310 978397441 /nfs/dbraw/zinc/39/74/41/978397441.db2.gz XYOHONPEMSAUGJ-DRZSPHRISA-N 0 1 238.281 2.461 20 0 BEADMN Cc1cc(C)c(CN2CC[C@]23CCOC3)cn1 ZINC001233009432 978404066 /nfs/dbraw/zinc/40/40/66/978404066.db2.gz VIWJYULNALQTMZ-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN CCC[C@H](OC)C(=O)Nc1ccc2cncn2c1 ZINC001598081117 978409775 /nfs/dbraw/zinc/40/97/75/978409775.db2.gz BJNCXGOFTIXNIV-LBPRGKRZSA-N 0 1 247.298 2.088 20 0 BEADMN Cc1cccnc1CNCc1ccccc1CO ZINC001337567535 978414221 /nfs/dbraw/zinc/41/42/21/978414221.db2.gz SRIXGGXKJMXTDY-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cccnn1 ZINC001598122093 978414669 /nfs/dbraw/zinc/41/46/69/978414669.db2.gz LTSLKQGDCSAANX-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CC1CN(Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233120281 978467767 /nfs/dbraw/zinc/46/77/67/978467767.db2.gz XJGSBTAJDIKTIN-UHFFFAOYSA-N 0 1 219.263 2.154 20 0 BEADMN CC1CN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233120281 978467774 /nfs/dbraw/zinc/46/77/74/978467774.db2.gz XJGSBTAJDIKTIN-UHFFFAOYSA-N 0 1 219.263 2.154 20 0 BEADMN Cc1c[nH]c(=O)c(CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC001233190395 978488694 /nfs/dbraw/zinc/48/86/94/978488694.db2.gz IATZTIVWZPBUHD-ZYHUDNBSSA-N 0 1 238.306 2.276 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1nccnc1CN ZINC001337788564 978496597 /nfs/dbraw/zinc/49/65/97/978496597.db2.gz SNJVZKRSANCTND-NXEZZACHSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)cnc1F ZINC001337791295 978499358 /nfs/dbraw/zinc/49/93/58/978499358.db2.gz KMQHULKTPWRCNO-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOCC3)cc1O ZINC001233233316 978500545 /nfs/dbraw/zinc/50/05/45/978500545.db2.gz FBJSCYBCSBNCES-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233263178 978521046 /nfs/dbraw/zinc/52/10/46/978521046.db2.gz JRNHZDWJUYKHKQ-NSHDSACASA-N 0 1 223.341 2.196 20 0 BEADMN CC[C@H]1COCCN1Cc1cccc2c1CCO2 ZINC001233277096 978525092 /nfs/dbraw/zinc/52/50/92/978525092.db2.gz NRJMFJITFNVPRI-ZDUSSCGKSA-N 0 1 247.338 2.232 20 0 BEADMN F[C@@H]1CN(Cc2cccc3c2CCO3)C[C@@H]2C[C@@H]21 ZINC001233274299 978526945 /nfs/dbraw/zinc/52/69/45/978526945.db2.gz LCJRIUNPUABSKW-FPMFFAJLSA-N 0 1 247.313 2.411 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccc2c1CCO2 ZINC001233278418 978527856 /nfs/dbraw/zinc/52/78/56/978527856.db2.gz PLJGXNLINSQMCG-AWEZNQCLSA-N 0 1 245.322 2.175 20 0 BEADMN Cc1cc(CN2CCC[C@@]3(CCO3)C2)sn1 ZINC001233312227 978541097 /nfs/dbraw/zinc/54/10/97/978541097.db2.gz FRGTYUWOWAUNRM-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cc(CN2CCC[C@@H]3C[C@@H]32)sn1 ZINC001233313076 978542245 /nfs/dbraw/zinc/54/22/45/978542245.db2.gz CAHMPRRZIJUGFP-KOLCDFICSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1cnsc1CN1CC2(C1)CCOCC2 ZINC001233320519 978555010 /nfs/dbraw/zinc/55/50/10/978555010.db2.gz CRAFPMRFDAKHBL-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1cnsc1CN1CCC[C@H]2C[C@H]21 ZINC001233321943 978561222 /nfs/dbraw/zinc/56/12/22/978561222.db2.gz LHLNLIABJDIORW-VHSXEESVSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1ncc(CN2CCC(CF)CC2)o1 ZINC001233367099 978580201 /nfs/dbraw/zinc/58/02/01/978580201.db2.gz KPWPLNSFIRGFCL-UHFFFAOYSA-N 0 1 212.268 2.165 20 0 BEADMN Cc1ncc(CN2CCC[C@H](C(F)F)C2)o1 ZINC001233367273 978580282 /nfs/dbraw/zinc/58/02/82/978580282.db2.gz WGTPQSUJSOVFMH-VIFPVBQESA-N 0 1 230.258 2.460 20 0 BEADMN C[C@H]1CN(Cc2cccc(N)n2)CCC1(F)F ZINC001233368943 978584599 /nfs/dbraw/zinc/58/45/99/978584599.db2.gz PHSWSLJALWOHGE-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN Nc1cccc(CN2CC(c3ccccc3)C2)n1 ZINC001233371894 978584889 /nfs/dbraw/zinc/58/48/89/978584889.db2.gz NINOQGNQTSEXLS-UHFFFAOYSA-N 0 1 239.322 2.263 20 0 BEADMN CCc1ncc(CNC(=O)C(C)=C2CCC2)[nH]1 ZINC001178669651 978603534 /nfs/dbraw/zinc/60/35/34/978603534.db2.gz LLNLNWCCHHFKQB-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CCC[C@@H](C)CCNc1nccnc1CN ZINC001338077710 978604465 /nfs/dbraw/zinc/60/44/65/978604465.db2.gz CHPHHRDGGBQYEO-SNVBAGLBSA-N 0 1 222.336 2.174 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCCN1C ZINC001178690067 978607602 /nfs/dbraw/zinc/60/76/02/978607602.db2.gz JYXQDWXMNYDJFZ-JHJVBQTASA-N 0 1 238.375 2.260 20 0 BEADMN Nc1nccc(NCC2CCC=CCC2)n1 ZINC001338101004 978612652 /nfs/dbraw/zinc/61/26/52/978612652.db2.gz UMFMPFTZKOONQD-UHFFFAOYSA-N 0 1 218.304 2.217 20 0 BEADMN CCC[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587664 978635065 /nfs/dbraw/zinc/63/50/65/978635065.db2.gz WMQXKWGBZANXQI-ZCFIWIBFSA-N 0 1 216.668 2.403 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2CCCC[C@@H]2F)n[nH]1 ZINC001233588470 978639829 /nfs/dbraw/zinc/63/98/29/978639829.db2.gz DDVWXRDSSXEDII-JGVFFNPUSA-N 0 1 246.669 2.495 20 0 BEADMN COc1cc(F)c(F)cc1NCc1cnc[nH]1 ZINC001178859952 978640619 /nfs/dbraw/zinc/64/06/19/978640619.db2.gz NVAJFWJQVPBDLB-UHFFFAOYSA-N 0 1 239.225 2.309 20 0 BEADMN CCCN1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233610767 978648451 /nfs/dbraw/zinc/64/84/51/978648451.db2.gz KWJFRZRGYGJDCQ-NSHDSACASA-N 0 1 242.338 2.193 20 0 BEADMN COc1ccc(CN2CCC[C@@H]3C[C@@H]32)nc1C ZINC001249914291 978655785 /nfs/dbraw/zinc/65/57/85/978655785.db2.gz SCUQFHPICKXHJH-YPMHNXCESA-N 0 1 232.327 2.383 20 0 BEADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)[O-])C2)c1 ZINC001600171193 978670797 /nfs/dbraw/zinc/67/07/97/978670797.db2.gz RQNHKYFSOQOUGS-GFCCVEGCSA-N 0 1 233.311 2.177 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001600192371 978672989 /nfs/dbraw/zinc/67/29/89/978672989.db2.gz XKZSHGLCCYOARF-AOOOYVTPSA-N 0 1 236.315 2.109 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)o1 ZINC001600192970 978675087 /nfs/dbraw/zinc/67/50/87/978675087.db2.gz HGIHTRYUUMAIJE-CABZTGNLSA-N 0 1 237.299 2.191 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c(C)o1 ZINC001600192973 978675835 /nfs/dbraw/zinc/67/58/35/978675835.db2.gz HGIHTRYUUMAIJE-SKDRFNHKSA-N 0 1 237.299 2.191 20 0 BEADMN Cc1cc(OCc2ccc(C(=O)[O-])o2)cc[nH+]1 ZINC001600290948 978686325 /nfs/dbraw/zinc/68/63/25/978686325.db2.gz YVCVXVDYKVNABK-UHFFFAOYSA-N 0 1 233.223 2.260 20 0 BEADMN Cc1cc(CNCc2ccnc(F)c2)cnc1F ZINC001179285425 978689037 /nfs/dbraw/zinc/68/90/37/978689037.db2.gz LEBZYMGDJROOAR-UHFFFAOYSA-N 0 1 249.264 2.353 20 0 BEADMN Cc1cc(CNc2ccc(C)c[nH+]2)[nH]c1C(=O)[O-] ZINC001600460708 978695750 /nfs/dbraw/zinc/69/57/50/978695750.db2.gz FGJWRMLDDXHUGW-UHFFFAOYSA-N 0 1 245.282 2.337 20 0 BEADMN COC(=O)C1(C)CCN(Cc2ccoc2)CC1 ZINC001204242808 978696856 /nfs/dbraw/zinc/69/68/56/978696856.db2.gz ATPBKBRHXNIUQO-UHFFFAOYSA-N 0 1 237.299 2.055 20 0 BEADMN Cc1ccc2c(c1)CC[N@H+](CCCC(=O)[O-])C2 ZINC001600495977 978697487 /nfs/dbraw/zinc/69/74/87/978697487.db2.gz ARAMPQMKHKXEFD-UHFFFAOYSA-N 0 1 233.311 2.218 20 0 BEADMN CCc1ccc(N2CCN(C)CC2)cc1OC ZINC001249933299 978703908 /nfs/dbraw/zinc/70/39/08/978703908.db2.gz UGMGZBBQBCPFSH-UHFFFAOYSA-N 0 1 234.343 2.009 20 0 BEADMN Cc1ccc[nH+]c1NCc1ncc(C(=O)[O-])s1 ZINC001600593679 978704934 /nfs/dbraw/zinc/70/49/34/978704934.db2.gz YFCWXGLGADTRHN-UHFFFAOYSA-N 0 1 249.295 2.157 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C=C2CCCC2)n1 ZINC001338538515 978705461 /nfs/dbraw/zinc/70/54/61/978705461.db2.gz NKVPBOVIWCLJPU-UHFFFAOYSA-N 0 1 234.303 2.367 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001600601348 978707743 /nfs/dbraw/zinc/70/77/43/978707743.db2.gz DGKYKEJFZGIXKN-NXEZZACHSA-N 0 1 220.272 2.055 20 0 BEADMN C[C@H]1CCCN(Cc2ccc3c(n2)OCCO3)C1 ZINC001233839331 978707863 /nfs/dbraw/zinc/70/78/63/978707863.db2.gz PVGSQBUMDFZECX-NSHDSACASA-N 0 1 248.326 2.085 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2cccc(O)c2F)C1 ZINC001233868948 978716678 /nfs/dbraw/zinc/71/66/78/978716678.db2.gz YLGANPDSSBYDBO-SECBINFHSA-N 0 1 225.263 2.004 20 0 BEADMN CN1CCC[C@@H](Oc2cccc(O)c2F)C1 ZINC001233868948 978716681 /nfs/dbraw/zinc/71/66/81/978716681.db2.gz YLGANPDSSBYDBO-SECBINFHSA-N 0 1 225.263 2.004 20 0 BEADMN Cn1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001600953505 978748416 /nfs/dbraw/zinc/74/84/16/978748416.db2.gz VMLKDHFHMSKGJV-VXGBXAGGSA-N 0 1 248.326 2.098 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)OCCO3)n[nH]1 ZINC001338958771 978759618 /nfs/dbraw/zinc/75/96/18/978759618.db2.gz IEDALBPIWABVFT-UHFFFAOYSA-N 0 1 245.282 2.101 20 0 BEADMN CCOC(=O)CN(CC)C1CCC(C)CC1 ZINC000070266431 978817563 /nfs/dbraw/zinc/81/75/63/978817563.db2.gz YKNQBSJAAJWEDN-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC001601637831 978823362 /nfs/dbraw/zinc/82/33/62/978823362.db2.gz FUNCNCPFMKCIHN-STQMWFEESA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@@H]2c2cccc(F)c2)CC1 ZINC001601708535 978832738 /nfs/dbraw/zinc/83/27/38/978832738.db2.gz ALGKOEAGUBPGOO-GFCCVEGCSA-N 0 1 249.285 2.437 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CCCC2CCC2)C1 ZINC001601717298 978835462 /nfs/dbraw/zinc/83/54/62/978835462.db2.gz WYRNJTBIURNYTH-LBPRGKRZSA-N 0 1 229.295 2.065 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001601717288 978835939 /nfs/dbraw/zinc/83/59/39/978835939.db2.gz WBCTUXTVDKMDLR-ZDUSSCGKSA-N 0 1 241.306 2.065 20 0 BEADMN CN1CC[C@H](Oc2c(O)cc(Cl)cc2F)C1 ZINC001234447674 978838717 /nfs/dbraw/zinc/83/87/17/978838717.db2.gz MGRVHTRXGFUWPY-QMMMGPOBSA-N 0 1 245.681 2.268 20 0 BEADMN C1CCc2c(onc2O[C@@H]2CN3CCC2CC3)C1 ZINC001234452216 978841400 /nfs/dbraw/zinc/84/14/00/978841400.db2.gz LXCYRPUHYUIRNM-CYBMUJFWSA-N 0 1 248.326 2.026 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CF)C1 ZINC001601811351 978852578 /nfs/dbraw/zinc/85/25/78/978852578.db2.gz YODOACXSIQTZOG-SDDRHHMPSA-N 0 1 243.322 2.169 20 0 BEADMN O=C([O-])/C=C\c1ccc(C[N@H+]2CC[C@@H]2C2CC2)o1 ZINC001601880373 978861108 /nfs/dbraw/zinc/86/11/08/978861108.db2.gz XAAVDYQTXZTYRU-CFHLNLSMSA-N 0 1 247.294 2.362 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001601988143 978877155 /nfs/dbraw/zinc/87/71/55/978877155.db2.gz VYMKSBPPZMWFBU-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC001602060491 978886934 /nfs/dbraw/zinc/88/69/34/978886934.db2.gz BTOAGIWYNQHIFO-ZDUSSCGKSA-N 0 1 245.322 2.341 20 0 BEADMN C[C@H]1CC[C@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234689477 978897964 /nfs/dbraw/zinc/89/79/64/978897964.db2.gz HERUWVAOSRTYSO-BQBZGAKWSA-N 0 1 236.250 2.059 20 0 BEADMN CCN(Cc1c(N)cccc1F)C1CC1 ZINC000070961571 978945674 /nfs/dbraw/zinc/94/56/74/978945674.db2.gz JMYVEAKCQKDJSI-UHFFFAOYSA-N 0 1 208.280 2.392 20 0 BEADMN C[N@@H+](CC1CCCCC1)CN1C(=O)CC1(C)C ZINC001339941906 978946842 /nfs/dbraw/zinc/94/68/42/978946842.db2.gz NLAYRBMGWZKCAT-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN CN(CC1CCCCC1)CN1C(=O)CC1(C)C ZINC001339941906 978946848 /nfs/dbraw/zinc/94/68/48/978946848.db2.gz NLAYRBMGWZKCAT-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN C=Cc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC001180861554 978958706 /nfs/dbraw/zinc/95/87/06/978958706.db2.gz GXPLSYDCICUDRV-JTQLQIEISA-N 0 1 218.300 2.218 20 0 BEADMN C[C@@H](C(=O)NCc1ccccc1C1CC1)N(C)C ZINC001180864818 978959974 /nfs/dbraw/zinc/95/99/74/978959974.db2.gz KQKLUCXPBNJQRJ-NSHDSACASA-N 0 1 246.354 2.130 20 0 BEADMN CC[C@H]1CCN(Cc2cc(COC)on2)[C@@H]1C ZINC001181044707 978989136 /nfs/dbraw/zinc/98/91/36/978989136.db2.gz ZIVVSYVCZAYSHQ-MNOVXSKESA-N 0 1 238.331 2.441 20 0 BEADMN CCc1cccc(CN2CCCO[C@@H](C)C2)n1 ZINC001235250566 979005430 /nfs/dbraw/zinc/00/54/30/979005430.db2.gz LHXUUXOYDOPOJE-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN Cc1cnc(F)c(CN2CC[C@H](C)C2)c1 ZINC001235327679 979025550 /nfs/dbraw/zinc/02/55/50/979025550.db2.gz HDJYHXMYJHVOQB-VIFPVBQESA-N 0 1 208.280 2.371 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@H]2C(C)(C)C)n[nH]1 ZINC001181289407 979033000 /nfs/dbraw/zinc/03/30/00/979033000.db2.gz FNNIDPAZKSUIIP-LBPRGKRZSA-N 0 1 249.358 2.298 20 0 BEADMN O=C([O-])c1ccc(C[NH2+]Cc2ccoc2)c(F)c1 ZINC001602347801 979106784 /nfs/dbraw/zinc/10/67/84/979106784.db2.gz CBROUGQWACKLBY-UHFFFAOYSA-N 0 1 249.241 2.407 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)[nH]1 ZINC001602338321 979106830 /nfs/dbraw/zinc/10/68/30/979106830.db2.gz JJPGSBINRXBOQI-NSHDSACASA-N 0 1 248.326 2.335 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC001602482795 979119020 /nfs/dbraw/zinc/11/90/20/979119020.db2.gz KMDJALCFRBJQEY-FBIMIBRVSA-N 0 1 232.283 2.380 20 0 BEADMN CN(Cc1nc2ccc(F)cc2[nH]1)CC(F)F ZINC001235695248 979122174 /nfs/dbraw/zinc/12/21/74/979122174.db2.gz SFUJHZATFAXSGD-UHFFFAOYSA-N 0 1 243.232 2.399 20 0 BEADMN OCCN1CCC[C@@H]1c1cc(F)ccc1F ZINC001235713823 979127729 /nfs/dbraw/zinc/12/77/29/979127729.db2.gz GUKGHIXCMBRYJS-GFCCVEGCSA-N 0 1 227.254 2.094 20 0 BEADMN CCOc1cc(C[N@@H+](C)CCOC)ccc1F ZINC001235794651 979149828 /nfs/dbraw/zinc/14/98/28/979149828.db2.gz OICXAMLKVKPRMP-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001235808096 979154675 /nfs/dbraw/zinc/15/46/75/979154675.db2.gz ZDDCFZFQTWRQRM-SDDRHHMPSA-N 0 1 238.281 2.319 20 0 BEADMN Nc1ccc(-c2c(F)cc(F)c(O)c2F)cn1 ZINC001235997429 979294319 /nfs/dbraw/zinc/29/43/19/979294319.db2.gz DNWQJXNXXXSSBL-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]2NC)cc1CC ZINC001236164723 979419720 /nfs/dbraw/zinc/41/97/20/979419720.db2.gz BSSDULWQXGNQKP-OAHLLOKOSA-N 0 1 248.370 2.399 20 0 BEADMN CN[C@@H]1CCN1Cc1cccc2c1CCCC2 ZINC001236167728 979422447 /nfs/dbraw/zinc/42/24/47/979422447.db2.gz PHCHEQOJCJTIGH-HNNXBMFYSA-N 0 1 230.355 2.317 20 0 BEADMN COc1cc(-c2cnc(CN)nc2)cc(C)c1F ZINC001236189614 979443008 /nfs/dbraw/zinc/44/30/08/979443008.db2.gz CDXYTSFLQPIWRH-UHFFFAOYSA-N 0 1 247.273 2.058 20 0 BEADMN COc1nc(CNC/C=C\C2CC2)ccc1C ZINC001182088544 979451148 /nfs/dbraw/zinc/45/11/48/979451148.db2.gz UWTJITYFGRMLPO-ARJAWSKDSA-N 0 1 232.327 2.454 20 0 BEADMN Cn1cccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001203264002 979460059 /nfs/dbraw/zinc/46/00/59/979460059.db2.gz NEURTJHHJNREKX-SECBINFHSA-N 0 1 232.249 2.409 20 0 BEADMN Cc1cc(CN2CCC(OCC3CC3)CC2)[nH]n1 ZINC001341569306 979473974 /nfs/dbraw/zinc/47/39/74/979473974.db2.gz NIFOAAPXPKDPPF-UHFFFAOYSA-N 0 1 249.358 2.109 20 0 BEADMN Cc1cc(CN2CCC(OCC3CC3)CC2)n[nH]1 ZINC001341569306 979473978 /nfs/dbraw/zinc/47/39/78/979473978.db2.gz NIFOAAPXPKDPPF-UHFFFAOYSA-N 0 1 249.358 2.109 20 0 BEADMN CCNc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001603778218 979519510 /nfs/dbraw/zinc/51/95/10/979519510.db2.gz IJENJIVLFQCORH-GFCCVEGCSA-N 0 1 248.326 2.025 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CC[C@H](C)C2)n1 ZINC001341832218 979572979 /nfs/dbraw/zinc/57/29/79/979572979.db2.gz PLLSRPURCZXRAW-IUCAKERBSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC001341832218 979572985 /nfs/dbraw/zinc/57/29/85/979572985.db2.gz PLLSRPURCZXRAW-IUCAKERBSA-N 0 1 236.319 2.303 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2ccoc21 ZINC001604150726 979585763 /nfs/dbraw/zinc/58/57/63/979585763.db2.gz AYXWVEBFNBNOON-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cc2cnccc2o1 ZINC001604167361 979590931 /nfs/dbraw/zinc/59/09/31/979590931.db2.gz KMNHQENRVGDPNV-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CCc1nnc(CNCC[C@@H]2CC2(F)F)s1 ZINC000691635361 979593383 /nfs/dbraw/zinc/59/33/83/979593383.db2.gz UBRIGMKMSDMKQK-SSDOTTSWSA-N 0 1 247.314 2.235 20 0 BEADMN CC(C)N(C(=O)[C@@H]1CCN1C(C)C)C(C)C ZINC001182829954 979655406 /nfs/dbraw/zinc/65/54/06/979655406.db2.gz LDKBZOPEYNERBE-LBPRGKRZSA-N 0 1 226.364 2.115 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cncc(O)c1 ZINC001236583173 979663746 /nfs/dbraw/zinc/66/37/46/979663746.db2.gz OZZXMWHTQGNYJK-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Oc1cncc(-c2cc3nc[nH]c3cc2F)c1 ZINC001236584784 979665749 /nfs/dbraw/zinc/66/57/49/979665749.db2.gz CISSUACFSGFCMO-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1nc(C)c(CN2CC[C@]3(CCCO3)C2)o1 ZINC001236589179 979669014 /nfs/dbraw/zinc/66/90/14/979669014.db2.gz HVEUFCDTRPATDG-CYBMUJFWSA-N 0 1 236.315 2.046 20 0 BEADMN CSCCN(C)Cc1oc(C)nc1C ZINC001236598393 979671854 /nfs/dbraw/zinc/67/18/54/979671854.db2.gz XPAHJCPMRMFSKS-UHFFFAOYSA-N 0 1 214.334 2.086 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001604615451 979684705 /nfs/dbraw/zinc/68/47/05/979684705.db2.gz NEFXAUHHDRKVEH-VIFPVBQESA-N 0 1 234.299 2.111 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001604664686 979695181 /nfs/dbraw/zinc/69/51/81/979695181.db2.gz LIHCWWMOQDGLFP-AOOOYVTPSA-N 0 1 219.284 2.368 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC001604664393 979695706 /nfs/dbraw/zinc/69/57/06/979695706.db2.gz HEEYBSOQLMVJDU-AOOOYVTPSA-N 0 1 219.284 2.368 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(F)c(O)c2)C1 ZINC001236703807 979697042 /nfs/dbraw/zinc/69/70/42/979697042.db2.gz RBWPDRMLXHCXSC-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@@H]1C ZINC001604757467 979715232 /nfs/dbraw/zinc/71/52/32/979715232.db2.gz QRMQHKMWIWQYRT-HTQZYQBOSA-N 0 1 240.328 2.072 20 0 BEADMN CCC(=O)CCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC001604852444 979739062 /nfs/dbraw/zinc/73/90/62/979739062.db2.gz FNEQITGTSPIHIU-UHFFFAOYSA-N 0 1 241.331 2.075 20 0 BEADMN CCC(=O)NC1(C)CCN(C/C=C/Cl)CC1 ZINC001278016768 979750096 /nfs/dbraw/zinc/75/00/96/979750096.db2.gz XDTNLBZOVBYMLS-QPJJXVBHSA-N 0 1 244.766 2.120 20 0 BEADMN CCC(=O)NC1(C)CCN(C/C=C\Cl)CC1 ZINC001278016767 979754520 /nfs/dbraw/zinc/75/45/20/979754520.db2.gz XDTNLBZOVBYMLS-DAXSKMNVSA-N 0 1 244.766 2.120 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC001604923172 979771256 /nfs/dbraw/zinc/77/12/56/979771256.db2.gz HKHITDBTAXAIKM-WDEREUQCSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC001604925681 979773769 /nfs/dbraw/zinc/77/37/69/979773769.db2.gz WOFKVHOTJNFQKD-UKKRHICBSA-N 0 1 213.321 2.074 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)c2ccccn2)n[nH]1 ZINC001342420490 979798032 /nfs/dbraw/zinc/79/80/32/979798032.db2.gz IVTKZUGQFZTKHP-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001605166359 979827003 /nfs/dbraw/zinc/82/70/03/979827003.db2.gz LLJZSYFQZAEPPU-KXUCPTDWSA-N 0 1 247.285 2.074 20 0 BEADMN C1=C(c2nc([C@H]3CN4CCC3CC4)no2)CCC1 ZINC001342546177 979827334 /nfs/dbraw/zinc/82/73/34/979827334.db2.gz NHGVGSSEPOSYNC-LBPRGKRZSA-N 0 1 245.326 2.446 20 0 BEADMN CCC(C)(C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001342561607 979829617 /nfs/dbraw/zinc/82/96/17/979829617.db2.gz UFMUZUUTEDFVHP-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CCC(C)(C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001342561607 979829621 /nfs/dbraw/zinc/82/96/21/979829621.db2.gz UFMUZUUTEDFVHP-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CC/C=C/C[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC001605185803 979831823 /nfs/dbraw/zinc/83/18/23/979831823.db2.gz CXGPCNAEXZRLSJ-FSIBCCDJSA-N 0 1 225.313 2.430 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(N)c1)C2 ZINC001237222593 979853046 /nfs/dbraw/zinc/85/30/46/979853046.db2.gz MYDSYFTYSLRTCB-KBPBESRZSA-N 0 1 232.327 2.022 20 0 BEADMN Cc1cccc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])n1 ZINC001605339478 979856298 /nfs/dbraw/zinc/85/62/98/979856298.db2.gz LCOPQPLXGBYRNP-DGCLKSJQSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ccnc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001605359455 979858836 /nfs/dbraw/zinc/85/88/36/979858836.db2.gz AJJBDJJJLFZLEX-DGCLKSJQSA-N 0 1 248.326 2.218 20 0 BEADMN CCN(C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237398451 979885760 /nfs/dbraw/zinc/88/57/60/979885760.db2.gz XVGZKDZOQBWPTD-UHFFFAOYSA-N 0 1 219.288 2.023 20 0 BEADMN CN(Cc1cc2ccccn2n1)CC1CC1 ZINC001237441169 979892606 /nfs/dbraw/zinc/89/26/06/979892606.db2.gz KAXKTUQVWSCCTL-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CC(C)N(C)Cc1cc2ccccn2n1 ZINC001237439787 979893766 /nfs/dbraw/zinc/89/37/66/979893766.db2.gz AXZHSVCUHVJSQD-UHFFFAOYSA-N 0 1 203.289 2.175 20 0 BEADMN c1c(CN2CCC[C@@H]3C[C@@H]32)nn2ccccc12 ZINC001237448478 979894797 /nfs/dbraw/zinc/89/47/97/979894797.db2.gz FTUIBFHUXDQMCH-RISCZKNCSA-N 0 1 227.311 2.319 20 0 BEADMN c1c(CN2CC3CC(C3)C2)nn2ccccc12 ZINC001237452211 979899936 /nfs/dbraw/zinc/89/99/36/979899936.db2.gz NGSPEQLWVHUBCB-UHFFFAOYSA-N 0 1 227.311 2.176 20 0 BEADMN CCc1oc(C(=O)[O-])cc1Cn1cc(C)[nH+]c1C ZINC001605883254 979927494 /nfs/dbraw/zinc/92/74/94/979927494.db2.gz AQYJTLXQLVEXLF-UHFFFAOYSA-N 0 1 248.282 2.402 20 0 BEADMN F[C@H]1CN(Cc2ccn3nccc3c2)C[C@@H]2C[C@@H]21 ZINC001237538771 979932235 /nfs/dbraw/zinc/93/22/35/979932235.db2.gz MOGNTKHGOYXJKC-UBHSHLNASA-N 0 1 245.301 2.124 20 0 BEADMN CCn1cncc1CN1CCC[C@H](C(F)F)C1 ZINC001237589314 979944743 /nfs/dbraw/zinc/94/47/43/979944743.db2.gz BTTWFRYWRPSFMY-JTQLQIEISA-N 0 1 243.301 2.380 20 0 BEADMN C[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1(C)CCCC1 ZINC001606096741 979950632 /nfs/dbraw/zinc/95/06/32/979950632.db2.gz NGYRWUMTNPVNHU-DTWKUNHWSA-N 0 1 247.285 2.217 20 0 BEADMN CCn1cncc1CN1CC[C@](C)(CF)C1 ZINC001237588445 979951339 /nfs/dbraw/zinc/95/13/39/979951339.db2.gz SCJPCCQDUDZFTB-GFCCVEGCSA-N 0 1 225.311 2.085 20 0 BEADMN CC(C)CN(Cc1nnc[nH]1)Cc1ccccc1 ZINC001237602311 979960680 /nfs/dbraw/zinc/96/06/80/979960680.db2.gz SEDOOWIOCUBBGU-UHFFFAOYSA-N 0 1 244.342 2.463 20 0 BEADMN C[N@@H+](Cc1ccccc1OCC(=O)[O-])C1CCC1 ZINC001606169884 979970947 /nfs/dbraw/zinc/97/09/47/979970947.db2.gz JVXZCJQMNBSQRE-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CCN(Cc1nnc[nH]1)Cc1ccc(C)cc1 ZINC001237612607 979973414 /nfs/dbraw/zinc/97/34/14/979973414.db2.gz YDHZWMWAWZWGQG-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN CCCN(Cc1nc(C)co1)C1CCOCC1 ZINC001237638055 979991029 /nfs/dbraw/zinc/99/10/29/979991029.db2.gz BYENHHXLRUUNSP-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CCc1[nH]ncc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237646020 979999621 /nfs/dbraw/zinc/99/96/21/979999621.db2.gz JHHKOLPULYPOCA-SCZZXKLOSA-N 0 1 241.285 2.059 20 0 BEADMN Cc1coc(CN2CCC3(CCC3)C2)n1 ZINC001237648505 979999650 /nfs/dbraw/zinc/99/96/50/979999650.db2.gz IHTGNIQCTVJDFJ-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN Cc1cc(CN2CCC[C@H](OCC3CC3)C2)n[nH]1 ZINC001343090553 980006278 /nfs/dbraw/zinc/00/62/78/980006278.db2.gz UYDZDEKILLHRKU-AWEZNQCLSA-N 0 1 249.358 2.109 20 0 BEADMN CCc1n[nH]cc1CN1CCC(F)(F)[C@H](C)C1 ZINC001237652294 980014138 /nfs/dbraw/zinc/01/41/38/980014138.db2.gz QZNJJJWGTZUMAL-SECBINFHSA-N 0 1 243.301 2.449 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H](C)C1(C)CC1 ZINC001343170593 980028125 /nfs/dbraw/zinc/02/81/25/980028125.db2.gz CXLWATQWBQTKRH-AAEUAGOBSA-N 0 1 246.354 2.300 20 0 BEADMN COc1ccc(C)c(CN2CCCC23COC3)c1 ZINC001237713712 980035327 /nfs/dbraw/zinc/03/53/27/980035327.db2.gz OHCZHHMFSDOVPK-UHFFFAOYSA-N 0 1 247.338 2.368 20 0 BEADMN COCC1CN(CCc2ccc(F)cc2F)C1 ZINC001343247982 980046158 /nfs/dbraw/zinc/04/61/58/980046158.db2.gz YSBAGIOXXMFCFM-UHFFFAOYSA-N 0 1 241.281 2.086 20 0 BEADMN O=C(NC/C=C\Cl)c1ccc(F)cc1O ZINC001184417255 980081996 /nfs/dbraw/zinc/08/19/96/980081996.db2.gz YTHNREAPRUCVIE-RJRFIUFISA-N 0 1 229.638 2.014 20 0 BEADMN Cc1ccc(C[N@H+](C)Cc2c[nH]ccc2=O)cc1 ZINC001237840964 980090274 /nfs/dbraw/zinc/09/02/74/980090274.db2.gz SDMAYELXSVTKMY-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN Cc1ccc(CN(C)Cc2c[nH]ccc2=O)cc1 ZINC001237840964 980090283 /nfs/dbraw/zinc/09/02/83/980090283.db2.gz SDMAYELXSVTKMY-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC001607309338 980092447 /nfs/dbraw/zinc/09/24/47/980092447.db2.gz IZKPPUKKCCPYHI-GBIKHYSHSA-N 0 1 249.310 2.304 20 0 BEADMN Cc1nc[nH]c1C(=O)OC1CCCCC1 ZINC001343405449 980095666 /nfs/dbraw/zinc/09/56/66/980095666.db2.gz RFGJCVKXNVJXQH-UHFFFAOYSA-N 0 1 208.261 2.208 20 0 BEADMN COc1ccoc1CN1CC[C@H](OC)C[C@@H]1C ZINC001237874804 980109525 /nfs/dbraw/zinc/10/95/25/980109525.db2.gz ZTTKPWHSFQSUKI-QWRGUYRKSA-N 0 1 239.315 2.288 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H]2C(C)C)[nH]c1C(=O)[O-] ZINC001607640184 980119520 /nfs/dbraw/zinc/11/95/20/980119520.db2.gz VUTYPTZWXMDRBU-LLVKDONJSA-N 0 1 236.315 2.252 20 0 BEADMN COCC[N@@H+](C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237991105 980123740 /nfs/dbraw/zinc/12/37/40/980123740.db2.gz VSYKJTCZZKMAAJ-UHFFFAOYSA-N 0 1 247.697 2.263 20 0 BEADMN Cc1cn(C[C@H]2CCCC[C@@H]2C(=O)[O-])c(C)[nH+]1 ZINC001607900776 980136639 /nfs/dbraw/zinc/13/66/39/980136639.db2.gz VNOABXZHJBAKKA-NEPJUHHUSA-N 0 1 236.315 2.391 20 0 BEADMN OCc1ccc2c(c1)CCN(Cc1ccco1)C2 ZINC001203272522 980150430 /nfs/dbraw/zinc/15/04/30/980150430.db2.gz HMEMCVMYKVBSMG-UHFFFAOYSA-N 0 1 243.306 2.330 20 0 BEADMN F[C@H]1CCCN(Cc2cccc3cncn32)C1 ZINC001238113839 980161655 /nfs/dbraw/zinc/16/16/55/980161655.db2.gz MXKKBWJCCHQKGU-NSHDSACASA-N 0 1 233.290 2.268 20 0 BEADMN C[C@H]1CCN(Cc2c(N)ccnc2F)[C@@H](C)C1 ZINC001238155008 980181176 /nfs/dbraw/zinc/18/11/76/980181176.db2.gz ATOJNDQECWPCCA-UWVGGRQHSA-N 0 1 237.322 2.423 20 0 BEADMN C[C@@H]1CCCN(Cc2c(N)ccnc2F)[C@@H]1C ZINC001238157731 980181194 /nfs/dbraw/zinc/18/11/94/980181194.db2.gz YNENFSCBRQNREE-NXEZZACHSA-N 0 1 237.322 2.423 20 0 BEADMN Nc1ccnc(F)c1CN1CCC2(CCC2)C1 ZINC001238159790 980187522 /nfs/dbraw/zinc/18/75/22/980187522.db2.gz JZWKHZACLYDSIG-UHFFFAOYSA-N 0 1 235.306 2.179 20 0 BEADMN Cc1ncncc1C[N@H+]1CCC[C@H](F)CC1 ZINC001238164254 980193807 /nfs/dbraw/zinc/19/38/07/980193807.db2.gz LWXHMTMHQBUDTB-LBPRGKRZSA-N 0 1 223.295 2.109 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2cncc(C3CC3)c2)C1 ZINC001238192908 980220643 /nfs/dbraw/zinc/22/06/43/980220643.db2.gz FKEYHZVWNIEXJL-AWEZNQCLSA-N 0 1 244.338 2.370 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001608575113 980232960 /nfs/dbraw/zinc/23/29/60/980232960.db2.gz DCHRETNFIGXTGX-JSGCOSHPSA-N 0 1 249.285 2.173 20 0 BEADMN Cc1cnc(CN2CC3(C2)CCOCC3)c(C)c1 ZINC001238429524 980254415 /nfs/dbraw/zinc/25/44/15/980254415.db2.gz NAIMNPZRQFHUDI-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CCN(C)Cc1ccc(F)c(F)c1OC ZINC001238473184 980276485 /nfs/dbraw/zinc/27/64/85/980276485.db2.gz FXRSXMBDZPLWPR-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3CCO[C@H]3C2)c(C)c1 ZINC001238428262 980259311 /nfs/dbraw/zinc/25/93/11/980259311.db2.gz HCTBSFFGDLFMPG-HIFRSBDPSA-N 0 1 246.354 2.309 20 0 BEADMN Cc1cnc(CN2CC[C@]23CCOC3)c(C)c1 ZINC001238436463 980259812 /nfs/dbraw/zinc/25/98/12/980259812.db2.gz VPORFPHTRXGMMJ-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC001608678521 980260263 /nfs/dbraw/zinc/26/02/63/980260263.db2.gz ZYRFHCPXDWLOCJ-NSHDSACASA-N 0 1 249.310 2.324 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001608748371 980275430 /nfs/dbraw/zinc/27/54/30/980275430.db2.gz QQBZYENWNZQOCU-HIFRSBDPSA-N 0 1 245.322 2.472 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C\c1cccc(F)c1)C1CC1 ZINC001608744363 980276226 /nfs/dbraw/zinc/27/62/26/980276226.db2.gz CELZPVCPPZMIFD-RQOWECAXSA-N 0 1 249.285 2.388 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC001608744372 980276761 /nfs/dbraw/zinc/27/67/61/980276761.db2.gz CRJWTRNODCEYFP-GFCCVEGCSA-N 0 1 245.322 2.265 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C/c1cccc(F)c1)C1CC1 ZINC001608744362 980277180 /nfs/dbraw/zinc/27/71/80/980277180.db2.gz CELZPVCPPZMIFD-DUXPYHPUSA-N 0 1 249.285 2.388 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001608825156 980297936 /nfs/dbraw/zinc/29/79/36/980297936.db2.gz WIBHQMREPSKKQF-VVSAWPALSA-N 0 1 249.354 2.362 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)cnc1C1CC1 ZINC001238618814 980301980 /nfs/dbraw/zinc/30/19/80/980301980.db2.gz VKCGVDMXFQTHOV-CQSZACIVSA-N 0 1 246.354 2.488 20 0 BEADMN FC(F)n1cc(-c2ccc3nn[nH]c3c2)cn1 ZINC001238867875 980353701 /nfs/dbraw/zinc/35/37/01/980353701.db2.gz VUZYVFVXAVBIEG-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN FC(F)n1cc(-c2ccc3[nH]nnc3c2)cn1 ZINC001238867875 980353704 /nfs/dbraw/zinc/35/37/04/980353704.db2.gz VUZYVFVXAVBIEG-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H]1CC2CCC1CC2 ZINC000691658841 980375512 /nfs/dbraw/zinc/37/55/12/980375512.db2.gz DHCDESIVKHIDKU-TYUFSLCMSA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CC2CCC1CC2)C1CC1 ZINC000691662759 980379041 /nfs/dbraw/zinc/37/90/41/980379041.db2.gz QJPOVKGTQWDCCN-HTAVTVPLSA-N 0 1 237.343 2.362 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CC2CCC1CC2 ZINC000691660599 980379812 /nfs/dbraw/zinc/37/98/12/980379812.db2.gz JKMRLEYJVJZKSU-HTAVTVPLSA-N 0 1 225.332 2.219 20 0 BEADMN CCOc1ccccc1NC(=O)c1[nH]cnc1C ZINC000074672919 980381291 /nfs/dbraw/zinc/38/12/91/980381291.db2.gz APQCIHBJHWYZIY-UHFFFAOYSA-N 0 1 245.282 2.369 20 0 BEADMN CCCCc1cnc(NCc2cc(C)[nH]n2)nc1 ZINC001344429208 980396124 /nfs/dbraw/zinc/39/61/24/980396124.db2.gz GEMJTHSCJDOGIG-UHFFFAOYSA-N 0 1 245.330 2.463 20 0 BEADMN COc1cnc(F)cc1-c1cc(N)c(C)cn1 ZINC001239020794 980412336 /nfs/dbraw/zinc/41/23/36/980412336.db2.gz FQXUSNOTXNLBCR-UHFFFAOYSA-N 0 1 233.246 2.182 20 0 BEADMN CC(C)(O)C=Cc1cc2[nH]ccc2cn1 ZINC001239139920 980459503 /nfs/dbraw/zinc/45/95/03/980459503.db2.gz RPYZILDZDUAJRU-HWKANZROSA-N 0 1 202.257 2.347 20 0 BEADMN Cc1cccc2nc(NC(=O)[C@H]3CCC=N3)[nH]c21 ZINC001187352827 980519899 /nfs/dbraw/zinc/51/98/99/980519899.db2.gz WNJVFWSENDIBEW-SNVBAGLBSA-N 0 1 242.282 2.043 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc2c1COC2 ZINC001188059232 980584193 /nfs/dbraw/zinc/58/41/93/980584193.db2.gz HJTKVWNAFRDYLH-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN C[C@H](OC(=O)C[C@@H]1CC=CCC1)c1nnc[nH]1 ZINC001345640822 980656920 /nfs/dbraw/zinc/65/69/20/980656920.db2.gz LVHCSDHJUQNYCL-VHSXEESVSA-N 0 1 235.287 2.155 20 0 BEADMN COc1ncc(-c2cccc3[nH]nnc32)cc1F ZINC001239512099 980684008 /nfs/dbraw/zinc/68/40/08/980684008.db2.gz KGDPAHKHKGLDIV-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCCC(=O)N1CC[C@H](N(C)C[C@H](F)CC)C1 ZINC001188633732 980684203 /nfs/dbraw/zinc/68/42/03/980684203.db2.gz ILYNMPLPQAPSCP-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN CS[C@@H](C)[C@H](C)OC(=O)c1[nH]cnc1C ZINC001345913224 980706800 /nfs/dbraw/zinc/70/68/00/980706800.db2.gz OGOCSILUAQXJOP-YUMQZZPRSA-N 0 1 228.317 2.015 20 0 BEADMN Cc1nc(-c2ccccc2F)nc2nc[nH]c21 ZINC001239549556 980727767 /nfs/dbraw/zinc/72/77/67/980727767.db2.gz IAPNSUPBFRKMEF-UHFFFAOYSA-N 0 1 228.230 2.419 20 0 BEADMN Fc1cccc(F)c1-c1ncc2c(n1)CNC2 ZINC001239572112 980762757 /nfs/dbraw/zinc/76/27/57/980762757.db2.gz OBFBUVWLUAFMKM-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Cc1nc[nH]c1C(=O)OCc1ncc(C(C)C)o1 ZINC001346150646 980768990 /nfs/dbraw/zinc/76/89/90/980768990.db2.gz MHGVVACAWTXDJQ-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@]1(C)C[C@@]1(F)Cl ZINC001346268900 980802820 /nfs/dbraw/zinc/80/28/20/980802820.db2.gz GXVUCZHTCHTBGK-ZJUUUORDSA-N 0 1 246.669 2.190 20 0 BEADMN Fc1cc(F)cc(-c2cc3c(nn2)CNC3)c1 ZINC001239654013 980828645 /nfs/dbraw/zinc/82/86/45/980828645.db2.gz KLQLPKCZFPAFOF-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Fc1ccc(F)c(-c2ncc3c(n2)CNC3)c1 ZINC001239708944 980862423 /nfs/dbraw/zinc/86/24/23/980862423.db2.gz BXUQBFJVRDGVFF-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN COc1ccc(-c2cc3[nH]nnc3cc2F)cn1 ZINC001239725828 980879191 /nfs/dbraw/zinc/87/91/91/980879191.db2.gz VAWWYSGBEOHJBJ-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN NC(=O)c1ccccc1-c1cccn2cncc12 ZINC001239763845 980904965 /nfs/dbraw/zinc/90/49/65/980904965.db2.gz SNXTUOQUXOAYBP-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN CC(=O)Nc1ccccc1-c1cc(N)ccn1 ZINC001239777283 980911897 /nfs/dbraw/zinc/91/18/97/980911897.db2.gz QWMPUJZHZYRBIO-UHFFFAOYSA-N 0 1 227.267 2.289 20 0 BEADMN C[C@@H](O)[C@H](C)N1CCc2c(Cl)cccc2C1 ZINC001191131458 980989060 /nfs/dbraw/zinc/98/90/60/980989060.db2.gz FYXXSXGVVJQFST-VHSXEESVSA-N 0 1 239.746 2.467 20 0 BEADMN NCc1ncc(-c2ccnc3ccccc32)cn1 ZINC001239851227 980989424 /nfs/dbraw/zinc/98/94/24/980989424.db2.gz JXEUXUGCPJPLQP-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595408952 981003506 /nfs/dbraw/zinc/00/35/06/981003506.db2.gz PRVZFWOCUPUOLH-GXSJLCMTSA-N 0 1 236.315 2.333 20 0 BEADMN CC(C)Oc1ccccc1NCc1nnc[nH]1 ZINC001347177814 981004147 /nfs/dbraw/zinc/00/41/47/981004147.db2.gz IZMBCKVCGURJHY-UHFFFAOYSA-N 0 1 232.287 2.204 20 0 BEADMN NC(=O)c1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001239870439 981010336 /nfs/dbraw/zinc/01/03/36/981010336.db2.gz GKUVJIBCUPVAQG-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN c1nnc(CSC[C@@H]2CC[C@H]3C[C@H]3C2)[nH]1 ZINC001347257643 981021564 /nfs/dbraw/zinc/02/15/64/981021564.db2.gz KDNYQRUZAUDPLI-KXUCPTDWSA-N 0 1 223.345 2.474 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595415822 981030024 /nfs/dbraw/zinc/03/00/24/981030024.db2.gz LJEKBNILZURKLB-GXSJLCMTSA-N 0 1 236.315 2.476 20 0 BEADMN c1ccc2c(c1)cncc2-c1ncc2c(n1)CNC2 ZINC001239943396 981053128 /nfs/dbraw/zinc/05/31/28/981053128.db2.gz KZZYNDFWQBPXGC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CC(C)c1nc(NC(=O)CCCC2CC2)n[nH]1 ZINC001347423743 981076052 /nfs/dbraw/zinc/07/60/52/981076052.db2.gz GTJMIPINWFAIDZ-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CCCC2CC2)n1 ZINC001347423743 981076057 /nfs/dbraw/zinc/07/60/57/981076057.db2.gz GTJMIPINWFAIDZ-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN Cc1ccncc1-c1cc2[nH]nnc2cc1F ZINC001239974592 981076957 /nfs/dbraw/zinc/07/69/57/981076957.db2.gz NTOQNDBYEGPYGO-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1n[nH]c(C)c1-c1cccc2cncn21 ZINC001240129029 981129489 /nfs/dbraw/zinc/12/94/89/981129489.db2.gz ZQEVMNSIWITCEV-UHFFFAOYSA-N 0 1 212.256 2.341 20 0 BEADMN CCCn1cc(-c2cncc3nc[nH]c32)cn1 ZINC001240131472 981133401 /nfs/dbraw/zinc/13/34/01/981133401.db2.gz WKALMAZJLKITEP-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN CCCn1cc(-c2cncc3[nH]cnc32)cn1 ZINC001240131472 981133404 /nfs/dbraw/zinc/13/34/04/981133404.db2.gz WKALMAZJLKITEP-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1C ZINC001595464579 981151016 /nfs/dbraw/zinc/15/10/16/981151016.db2.gz QZNQIINHDIRGJK-PWSUYJOCSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H](NCc1cccn1C1CC1)c1cnn(C)c1 ZINC001347782854 981172328 /nfs/dbraw/zinc/17/23/28/981172328.db2.gz UGKREGYDXFBQPH-LLVKDONJSA-N 0 1 244.342 2.407 20 0 BEADMN CN(C)Cc1cccc(-c2cn[nH]c2)c1F ZINC001240243313 981220670 /nfs/dbraw/zinc/22/06/70/981220670.db2.gz DIELZNORUBQFCV-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN Cn1cc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001240297391 981249809 /nfs/dbraw/zinc/24/98/09/981249809.db2.gz ZZOLOPOVNFPNBU-UHFFFAOYSA-N 0 1 216.219 2.103 20 0 BEADMN Cc1nc[nH]c1-c1nc2c(cccc2F)[nH]1 ZINC001250498105 981256692 /nfs/dbraw/zinc/25/66/92/981256692.db2.gz IFZWIIRTOMVVPS-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1nn(C)cc1-c1ccc2cncn2c1 ZINC001240300746 981260150 /nfs/dbraw/zinc/26/01/50/981260150.db2.gz VARKJEUPQLQHBG-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN NCc1ncc(-c2ccc3ncsc3c2)cn1 ZINC001240344849 981307301 /nfs/dbraw/zinc/30/73/01/981307301.db2.gz OCZNNUCQQXECHR-UHFFFAOYSA-N 0 1 242.307 2.212 20 0 BEADMN NCc1nccnc1NC[C@H]1CC2CCC1CC2 ZINC001348225403 981312461 /nfs/dbraw/zinc/31/24/61/981312461.db2.gz QOLTWVKOLJMKSD-HTAVTVPLSA-N 0 1 246.358 2.174 20 0 BEADMN C/C=C\C[C@H]1CCCN(c2nccnc2CN)C1 ZINC001348271440 981323813 /nfs/dbraw/zinc/32/38/13/981323813.db2.gz RSWYTMBLSZLKSR-DLGQBQFBSA-N 0 1 246.358 2.118 20 0 BEADMN COc1ccc2nc(-c3cnc(C)n3C)[nH]c2c1 ZINC001250517826 981336947 /nfs/dbraw/zinc/33/69/47/981336947.db2.gz FKKGAFNRCNJDNZ-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN c1cc2cc(-c3cccc4[nH]nnc43)cnc2[nH]1 ZINC001240392929 981352674 /nfs/dbraw/zinc/35/26/74/981352674.db2.gz QTEZOJVJKPXQTP-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN c1cc2c(nccc2-c2cccc3[nH]nnc32)[nH]1 ZINC001240413170 981363137 /nfs/dbraw/zinc/36/31/37/981363137.db2.gz CRDDTRQWGFJQHA-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN c1cc2cc(-c3ncnc4c3CNC4)ccc2o1 ZINC001240421704 981368980 /nfs/dbraw/zinc/36/89/80/981368980.db2.gz MCYSFLPLXHCVGQ-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN COc1cc2nc(-c3ncccn3)[nH]c2cc1F ZINC001250524702 981383474 /nfs/dbraw/zinc/38/34/74/981383474.db2.gz XGKDSCHYODWJGM-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193770175 981449483 /nfs/dbraw/zinc/44/94/83/981449483.db2.gz NAMUZWMCTYFNEP-SSDOTTSWSA-N 0 1 243.253 2.445 20 0 BEADMN COc1nc2[nH]ccc2cc1-c1cn[nH]c1C ZINC001240521130 981451632 /nfs/dbraw/zinc/45/16/32/981451632.db2.gz KAECKFMXHDVBMS-UHFFFAOYSA-N 0 1 228.255 2.222 20 0 BEADMN COc1cc(-c2cc3[nH]cnc3cn2)ccc1O ZINC001240611728 981508892 /nfs/dbraw/zinc/50/88/92/981508892.db2.gz FFIYUKKUJVZFKK-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H](C)C2CC2)c1C ZINC001349147892 981511757 /nfs/dbraw/zinc/51/17/57/981511757.db2.gz NFTIMYASYPDTHE-QMMMGPOBSA-N 0 1 235.331 2.079 20 0 BEADMN CCn1cc(-c2ccc(CN(C)C)cn2)cn1 ZINC001240647742 981544645 /nfs/dbraw/zinc/54/46/45/981544645.db2.gz KTDHMRRBDBNCPC-UHFFFAOYSA-N 0 1 230.315 2.027 20 0 BEADMN CCn1cc(-c2cncc3[nH]c(C)nc32)cn1 ZINC001240652451 981562408 /nfs/dbraw/zinc/56/24/08/981562408.db2.gz ROFVYELSSLMBOF-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CCn1cc(-c2c[nH]cc3nc(C)nc2-3)cn1 ZINC001240652451 981562413 /nfs/dbraw/zinc/56/24/13/981562413.db2.gz ROFVYELSSLMBOF-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001203790374 981602046 /nfs/dbraw/zinc/60/20/46/981602046.db2.gz VYZINDFWOLMIDU-LBPRGKRZSA-N 0 1 221.275 2.237 20 0 BEADMN CC1(C)CCC[C@@H](C[N@H+]2CC[C@@]23CCOC3)O1 ZINC001349646998 981608509 /nfs/dbraw/zinc/60/85/09/981608509.db2.gz QQNSSHIJRILTKO-JSGCOSHPSA-N 0 1 239.359 2.199 20 0 BEADMN COCOc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001250562657 981620593 /nfs/dbraw/zinc/62/05/93/981620593.db2.gz OBXFBSXOZZDLEQ-LBPRGKRZSA-N 0 1 248.282 2.397 20 0 BEADMN COCOc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001250562653 981622855 /nfs/dbraw/zinc/62/28/55/981622855.db2.gz OBXFBSXOZZDLEQ-GFCCVEGCSA-N 0 1 248.282 2.397 20 0 BEADMN Cc1ccc(-c2ncc3c(n2)CNC3)cc1C ZINC001240700706 981633407 /nfs/dbraw/zinc/63/34/07/981633407.db2.gz OEGXUBIZELMLCR-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCO[C@@H](C)n1cc(-c2cc(N)ccn2)cn1 ZINC001240749111 981806342 /nfs/dbraw/zinc/80/63/42/981806342.db2.gz FICIVXTVTDZCJH-VIFPVBQESA-N 0 1 232.287 2.082 20 0 BEADMN Oc1ccc(-c2ccc3[nH]nnc3c2)cc1F ZINC001240787211 981830925 /nfs/dbraw/zinc/83/09/25/981830925.db2.gz RKXGVZSAFLCPAG-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CN(CCc1ccccc1)Cc1cnoc1 ZINC001205669983 981837915 /nfs/dbraw/zinc/83/79/15/981837915.db2.gz FXWJCJRKIHQPLO-UHFFFAOYSA-N 0 1 216.284 2.349 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(C)o2)CC1 ZINC001203297426 981892882 /nfs/dbraw/zinc/89/28/82/981892882.db2.gz AUJHOTRZLSSSRN-UHFFFAOYSA-N 0 1 221.300 2.389 20 0 BEADMN CC[C@@H](C)COC(=O)N1CCN(C(C)C)CC1 ZINC001194762403 981893149 /nfs/dbraw/zinc/89/31/49/981893149.db2.gz UYXGSNZTDJPKFV-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1cc(-c2cncc3cc[nH]c32)n(C)n1 ZINC001240858594 981896665 /nfs/dbraw/zinc/89/66/65/981896665.db2.gz QFELVRZGCJLYRL-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CC1(C[S@](=O)Cc2nc[nH]n2)CCCCC1 ZINC001350428306 981975900 /nfs/dbraw/zinc/97/59/00/981975900.db2.gz JEOMEACSJJVPGG-MRXNPFEDSA-N 0 1 241.360 2.024 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc2[nH]cnc21 ZINC001586741382 982015371 /nfs/dbraw/zinc/01/53/71/982015371.db2.gz AFBAPDZBCBKBKI-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN CCCC[C@@H](SC[C@H]1CCC[N@H+]1C)C(=O)[O-] ZINC001595654962 982042688 /nfs/dbraw/zinc/04/26/88/982042688.db2.gz GUHVEXSPXZALSV-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN Oc1ccccc1-c1ncc(OC(F)F)cn1 ZINC001241003441 982090734 /nfs/dbraw/zinc/09/07/34/982090734.db2.gz NEDWBQFTOPSPBM-UHFFFAOYSA-N 0 1 238.193 2.451 20 0 BEADMN NCc1ncc(-c2c(F)ccc(F)c2F)cn1 ZINC001241047675 982150591 /nfs/dbraw/zinc/15/05/91/982150591.db2.gz GSDVCQMDOWVUMV-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCCSC ZINC001594874350 982201145 /nfs/dbraw/zinc/20/11/45/982201145.db2.gz BRMFHELNYRDUAI-VHSXEESVSA-N 0 1 233.377 2.171 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC001594878880 982226856 /nfs/dbraw/zinc/22/68/56/982226856.db2.gz YQZLEOMTIVPICT-VHSXEESVSA-N 0 1 215.337 2.464 20 0 BEADMN Oc1cc(F)c(-c2ncnc3[nH]cnc32)c(F)c1 ZINC001241117796 982234246 /nfs/dbraw/zinc/23/42/46/982234246.db2.gz RQGSSTLNYXUSIL-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN COc1cnc(-c2c(F)cc(O)cc2F)nc1 ZINC001241117536 982237623 /nfs/dbraw/zinc/23/76/23/982237623.db2.gz RMSSCAYDACLQRE-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN C(=CC1CC1)CN[C@@H]1CCCc2c[nH]nc21 ZINC001351283305 982266710 /nfs/dbraw/zinc/26/67/10/982266710.db2.gz HPFYXKFQWJLNMW-ZZKXABKFSA-N 0 1 217.316 2.343 20 0 BEADMN Nc1cc(-c2cc3[nH]ccc3cn2)ccn1 ZINC001241150966 982285238 /nfs/dbraw/zinc/28/52/38/982285238.db2.gz DMBMNGCLBWGGEQ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc[nH+]1 ZINC001241245965 982389204 /nfs/dbraw/zinc/38/92/04/982389204.db2.gz RSCXJSNWNMNASI-UHFFFAOYSA-N 0 1 232.214 2.168 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1cc(Cl)ncc1O ZINC001196387528 982443805 /nfs/dbraw/zinc/44/38/05/982443805.db2.gz PAXGHJQTLRCRFB-ZETCQYMHSA-N 0 1 242.706 2.215 20 0 BEADMN Cc1cnc(C2=CCN(C)CC2)nc1NC1CC1 ZINC001241309019 982450108 /nfs/dbraw/zinc/45/01/08/982450108.db2.gz YDFSASHCJMUWFR-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CC(C)CCN1N=C2c3ccccc3C[C@@H]2C1=O ZINC001352084427 982461911 /nfs/dbraw/zinc/46/19/11/982461911.db2.gz NOTVQXZVYGRRHE-ZDUSSCGKSA-N 0 1 242.322 2.451 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3ccccn3)c(=O)c2C1 ZINC001352086277 982462610 /nfs/dbraw/zinc/46/26/10/982462610.db2.gz ZELZOPHDVBIPTM-PWSUYJOCSA-N 0 1 243.310 2.216 20 0 BEADMN COc1nc(C)ccc1C1=CCN(C)CC1 ZINC001241327760 982488790 /nfs/dbraw/zinc/48/87/90/982488790.db2.gz QNVKOTKCOOOGCQ-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN C[S@@](=O)c1ccccc1-c1cc(N)ccn1 ZINC001241333888 982500186 /nfs/dbraw/zinc/50/01/86/982500186.db2.gz WMBHFDWJBACVSO-MRXNPFEDSA-N 0 1 232.308 2.068 20 0 BEADMN c1cnc2ccc(-c3cc4c(nn3)CNC4)cc2c1 ZINC001241396422 982549797 /nfs/dbraw/zinc/54/97/97/982549797.db2.gz GRJUFQFKSNKUAK-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN NCc1ncc(-c2ccc3ncccc3c2)cn1 ZINC001241398868 982550242 /nfs/dbraw/zinc/55/02/42/982550242.db2.gz VUZWMKYCAJEEBV-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C\C2CCCC2)c1C ZINC001352738999 982565145 /nfs/dbraw/zinc/56/51/45/982565145.db2.gz UTGUDCTYJYKPMQ-FPLPWBNLSA-N 0 1 247.342 2.389 20 0 BEADMN CCn1cc(CN[C@H](C)c2ccc[nH]2)c(C)n1 ZINC001352750729 982566730 /nfs/dbraw/zinc/56/67/30/982566730.db2.gz PVHMBBQIBJYAKC-LLVKDONJSA-N 0 1 232.331 2.390 20 0 BEADMN Cc1c(C(=O)NC(C)(C)CF)ccc2cncn21 ZINC001352768396 982571343 /nfs/dbraw/zinc/57/13/43/982571343.db2.gz XBRSLPFYEPEMGW-UHFFFAOYSA-N 0 1 249.289 2.121 20 0 BEADMN Cn1ncc2c1cccc2-c1cc(N)ccn1 ZINC001241446892 982600027 /nfs/dbraw/zinc/60/00/27/982600027.db2.gz XJYOLLBKJHOBIF-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN C[C@H](NCc1csnn1)C1CCSCC1 ZINC001352874704 982615225 /nfs/dbraw/zinc/61/52/25/982615225.db2.gz AXTVMKPPWROWDB-QMMMGPOBSA-N 0 1 243.401 2.159 20 0 BEADMN c1nc2c(cncc2-c2cncs2)[nH]1 ZINC001241498915 982657705 /nfs/dbraw/zinc/65/77/05/982657705.db2.gz ZSQZOWWARUMTQN-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN c1nc2cncc(-c3cncs3)c2[nH]1 ZINC001241498915 982657713 /nfs/dbraw/zinc/65/77/13/982657713.db2.gz ZSQZOWWARUMTQN-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1cncs1 ZINC001241500318 982660749 /nfs/dbraw/zinc/66/07/49/982660749.db2.gz QXHZMQHESBCBTP-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC001594960961 982712919 /nfs/dbraw/zinc/71/29/19/982712919.db2.gz QULDYYJYOMSCFY-VIFPVBQESA-N 0 1 224.304 2.191 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1[nH]nc2c1CC[C@H]2C ZINC001198425713 982716622 /nfs/dbraw/zinc/71/66/22/982716622.db2.gz SGQOFEUTFCBTRG-BDAKNGLRSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@@H]1CCc2c(C(=O)NC(C)(C)C3CC3)[nH]nc21 ZINC001198450879 982723049 /nfs/dbraw/zinc/72/30/49/982723049.db2.gz PZGJEJBEINPXCZ-MRVPVSSYSA-N 0 1 247.342 2.378 20 0 BEADMN C[C@@H]1CCc2c1n[nH]c2C(=O)N[C@H]1CC=CCC1 ZINC001198461201 982729167 /nfs/dbraw/zinc/72/91/67/982729167.db2.gz BGRNVBKMCAZOLI-ZJUUUORDSA-N 0 1 245.326 2.298 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC001589445515 982793370 /nfs/dbraw/zinc/79/33/70/982793370.db2.gz QWRWOGUVGQNQKK-STQMWFEESA-N 0 1 248.326 2.124 20 0 BEADMN CN1CCC=C(c2ncnc3c(F)cccc32)C1 ZINC001241564780 982803823 /nfs/dbraw/zinc/80/38/23/982803823.db2.gz AOWNYDHRMJSVDF-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN Cc1cnc(C2=CCCN(C)C2)nc1NC1CC1 ZINC001241565513 982806859 /nfs/dbraw/zinc/80/68/59/982806859.db2.gz KBVRWWKVXBPLNT-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CCN(CC)c1cc(C2=CCCN(C)C2)ncn1 ZINC001241567385 982812373 /nfs/dbraw/zinc/81/23/73/982812373.db2.gz ZEPOIJSPDQSPPP-UHFFFAOYSA-N 0 1 246.358 2.042 20 0 BEADMN CCC(CC)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001589509596 982814190 /nfs/dbraw/zinc/81/41/90/982814190.db2.gz UHKMRWJKYHMNMM-MWLCHTKSSA-N 0 1 213.321 2.360 20 0 BEADMN COc1cc(C2=CCCN(C)C2)cnc1C ZINC001241569733 982814733 /nfs/dbraw/zinc/81/47/33/982814733.db2.gz NWPRLMDCVNFABI-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CCC=C(c2cncc3cc(CO)oc32)C1 ZINC001241568572 982814946 /nfs/dbraw/zinc/81/49/46/982814946.db2.gz HROCAHOYAFMKOD-UHFFFAOYSA-N 0 1 244.294 2.039 20 0 BEADMN Cc1cnc(F)cc1C1=CCCN(C)C1 ZINC001241569086 982816764 /nfs/dbraw/zinc/81/67/64/982816764.db2.gz QVCXMKDSZXSXDC-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2cncnc2C(C)(C)C)C1 ZINC001241569795 982818791 /nfs/dbraw/zinc/81/87/91/982818791.db2.gz AKIJYIALVRUSCY-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CCc1ccnc(C2=CCCN(C)C2)c1 ZINC001241570510 982822296 /nfs/dbraw/zinc/82/22/96/982822296.db2.gz ITSXFUKDQAQUPG-UHFFFAOYSA-N 0 1 202.301 2.363 20 0 BEADMN CN1CCC=C(c2cc3c(c(F)c2)C(=O)OC3)C1 ZINC001241572421 982827352 /nfs/dbraw/zinc/82/73/52/982827352.db2.gz UVFSMSAKDHLCDN-UHFFFAOYSA-N 0 1 247.269 2.215 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)OCC[C@H]2C)s1 ZINC001198762354 982832334 /nfs/dbraw/zinc/83/23/34/982832334.db2.gz YMZZTPXAYCNHFE-NXEZZACHSA-N 0 1 240.372 2.451 20 0 BEADMN OC1(CN[C@@H]2C[C@@]2(F)c2ccccc2)CCC1 ZINC001353309290 982833269 /nfs/dbraw/zinc/83/32/69/982833269.db2.gz DRWLGBXRAKGIAP-TZMCWYRMSA-N 0 1 235.302 2.128 20 0 BEADMN CCc1nc(CN2CC=CC23CCCCC3)n[nH]1 ZINC001198802024 982848578 /nfs/dbraw/zinc/84/85/78/982848578.db2.gz ZZSUOMOLQSBWGS-UHFFFAOYSA-N 0 1 246.358 2.442 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC12CCC(CC1)C2 ZINC000847716890 982870161 /nfs/dbraw/zinc/87/01/61/982870161.db2.gz RYUQKGNXLJGKNT-IFQILLTASA-N 0 1 247.342 2.037 20 0 BEADMN COc1ccnc(-c2ccc3c(c2)n[nH]c3C)n1 ZINC001241636789 982873314 /nfs/dbraw/zinc/87/33/14/982873314.db2.gz FURPMQBKSAONEX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(C)(C(=O)N1C[C@H]2CCCC[C@H]21)c1c[nH]cn1 ZINC001300328605 982879410 /nfs/dbraw/zinc/87/94/10/982879410.db2.gz VKUFHRQMKHDKBM-GHMZBOCLSA-N 0 1 247.342 2.088 20 0 BEADMN Cc1nc2ccc(-c3cnc(N)nc3C)cc2[nH]1 ZINC001241644356 982882569 /nfs/dbraw/zinc/88/25/69/982882569.db2.gz GWYYWVGIWSLKEU-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1noc2ncc(CNC(C)(C)CF)cc12 ZINC001353585551 982901527 /nfs/dbraw/zinc/90/15/27/982901527.db2.gz YCPXKKJSZUZFJP-UHFFFAOYSA-N 0 1 237.278 2.369 20 0 BEADMN CCC[N@@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)C1CC1 ZINC001595885991 982912879 /nfs/dbraw/zinc/91/28/79/982912879.db2.gz RIZZGEOEOPDPPC-UHFFFAOYSA-N 0 1 236.315 2.396 20 0 BEADMN c1cc2ccc(-c3ncc4c(n3)CNC4)cc2cn1 ZINC001241672751 982914659 /nfs/dbraw/zinc/91/46/59/982914659.db2.gz OXEDPLVBGCODKM-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN c1cc2ccc(-c3ncnc4c3CNC4)cc2cn1 ZINC001241672877 982917327 /nfs/dbraw/zinc/91/73/27/982917327.db2.gz UFWPFURJCVNMHP-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN COc1ncc(F)c(-c2ccc3[nH]cnc3c2)n1 ZINC001241686209 982933926 /nfs/dbraw/zinc/93/39/26/982933926.db2.gz WXNGZCKWOIOMRD-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1nc(-c2ccc3[nH]cnc3c2)ncc1F ZINC001241685815 982934948 /nfs/dbraw/zinc/93/49/48/982934948.db2.gz RAGWOVAZRZVWIO-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN S=c1ccc(-c2ccc3nc[nH]c3c2)n[nH]1 ZINC001241692592 982946526 /nfs/dbraw/zinc/94/65/26/982946526.db2.gz OMHKCGFYVPBQEY-UHFFFAOYSA-N 0 1 228.280 2.309 20 0 BEADMN Cc1cnc(C[N@H+](C)C(C)(C)CC(=O)[O-])s1 ZINC001119602574 983003410 /nfs/dbraw/zinc/00/34/10/983003410.db2.gz RRNBUOULFBAVDU-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN CCCCNC(=S)Nc1ncc(F)cc1O ZINC001200448095 983006148 /nfs/dbraw/zinc/00/61/48/983006148.db2.gz PMCCUXOVPJJXHT-UHFFFAOYSA-N 0 1 243.307 2.013 20 0 BEADMN Cc1cc(F)cnc1-c1ccc2[nH]nnc2c1 ZINC001241938217 983151593 /nfs/dbraw/zinc/15/15/93/983151593.db2.gz INWLLKIGKKJQJK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)cnc1-c1ccc2nn[nH]c2c1 ZINC001241938217 983151600 /nfs/dbraw/zinc/15/16/00/983151600.db2.gz INWLLKIGKKJQJK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ncc(-c2ccc3nn[nH]c3c2)nc1C ZINC001241938576 983152117 /nfs/dbraw/zinc/15/21/17/983152117.db2.gz PKPTVKQHQLAAIM-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Nc1ccc(-c2ccc3[nH]nnc3c2)cc1F ZINC001241940677 983153570 /nfs/dbraw/zinc/15/35/70/983153570.db2.gz NRYVQXZUPHBRMU-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(-c2ccc3nn[nH]c3c2)cc1F ZINC001241940677 983153574 /nfs/dbraw/zinc/15/35/74/983153574.db2.gz NRYVQXZUPHBRMU-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Fc1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241941091 983155148 /nfs/dbraw/zinc/15/51/48/983155148.db2.gz COOQVCFWYJZIOM-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241941091 983155151 /nfs/dbraw/zinc/15/51/51/983155151.db2.gz COOQVCFWYJZIOM-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)cnc1F ZINC001241942588 983161360 /nfs/dbraw/zinc/16/13/60/983161360.db2.gz WPOSGELXHJYMEC-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)cnc1F ZINC001241942588 983161365 /nfs/dbraw/zinc/16/13/65/983161365.db2.gz WPOSGELXHJYMEC-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1cc(F)nc(-c2ccc3nn[nH]c3c2)c1 ZINC001241941360 983161546 /nfs/dbraw/zinc/16/15/46/983161546.db2.gz XIFOZWQBZBDACD-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)nc(-c2ccc3[nH]nnc3c2)c1 ZINC001241941360 983161552 /nfs/dbraw/zinc/16/15/52/983161552.db2.gz XIFOZWQBZBDACD-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc(F)ccc1-c1ccc2[nH]nnc2c1 ZINC001241942765 983162976 /nfs/dbraw/zinc/16/29/76/983162976.db2.gz VKOHMEQQQFPNEN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc(F)ccc1-c1ccc2nn[nH]c2c1 ZINC001241942765 983162981 /nfs/dbraw/zinc/16/29/81/983162981.db2.gz VKOHMEQQQFPNEN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN c1nc2cncc(-c3ccc4nn[nH]c4c3)c2o1 ZINC001241943095 983164559 /nfs/dbraw/zinc/16/45/59/983164559.db2.gz VRTXKORKLITXFI-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN CC(C)(CC(F)(F)F)Nc1nccnc1CN ZINC001354171335 983180085 /nfs/dbraw/zinc/18/00/85/983180085.db2.gz LCKXNANZUOIPFG-UHFFFAOYSA-N 0 1 248.252 2.078 20 0 BEADMN C[C@H](C1CCCCC1)N(C)c1nccnc1CN ZINC001354188179 983188077 /nfs/dbraw/zinc/18/80/77/983188077.db2.gz HRFYAJQVSXFFLF-LLVKDONJSA-N 0 1 248.374 2.340 20 0 BEADMN C1=C(N=c2[nH]onc2C2CC2)CCSC1 ZINC001201333315 983189596 /nfs/dbraw/zinc/18/95/96/983189596.db2.gz XXMSAWJSLHVTIC-UHFFFAOYSA-N 0 1 223.301 2.380 20 0 BEADMN Nc1nccc(NCC[C@@H]2CCCC2(F)F)n1 ZINC001354258038 983231754 /nfs/dbraw/zinc/23/17/54/983231754.db2.gz VLMXLRYQNXVHKA-QMMMGPOBSA-N 0 1 242.273 2.296 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CC(C)(C)C ZINC001201440239 983236479 /nfs/dbraw/zinc/23/64/79/983236479.db2.gz CTPHWXDNIDLAPL-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CC(NC(C)=O)C1 ZINC001201491246 983259086 /nfs/dbraw/zinc/25/90/86/983259086.db2.gz RAOWQAXTZVSCGG-LBPRGKRZSA-N 0 1 238.375 2.189 20 0 BEADMN CCn1cnc(Cl)c1CN[C@@H](C)CSC ZINC001200622055 983267864 /nfs/dbraw/zinc/26/78/64/983267864.db2.gz MBIYFCRZUVOGOV-QMMMGPOBSA-N 0 1 247.795 2.398 20 0 BEADMN CCCC[C@H](COC)NCc1nn(C)cc1C ZINC001200630276 983280245 /nfs/dbraw/zinc/28/02/45/983280245.db2.gz GXEUZMGSMREWKS-GFCCVEGCSA-N 0 1 239.363 2.023 20 0 BEADMN CSc1ncc2c(n1)CN(CC(C)C)CC2 ZINC001201478254 983282354 /nfs/dbraw/zinc/28/23/54/983282354.db2.gz CQPXIMGJOPUYFJ-UHFFFAOYSA-N 0 1 237.372 2.213 20 0 BEADMN CNc1ccc(-c2ccc3cncn3c2)cn1 ZINC001242070269 983303049 /nfs/dbraw/zinc/30/30/49/983303049.db2.gz YDCGUYOJZMVAHA-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN CNc1ccc(-c2cccc3cncn32)cn1 ZINC001242071374 983306073 /nfs/dbraw/zinc/30/60/73/983306073.db2.gz CKQZZTJCAYCROP-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN CC[C@@H](C)CN1CCc2oc(C)nc2C1 ZINC001201521625 983320554 /nfs/dbraw/zinc/32/05/54/983320554.db2.gz WMFZJLIUBUVIME-SECBINFHSA-N 0 1 208.305 2.387 20 0 BEADMN Cn1ccnc1CNCCCNc1ccccc1 ZINC001200692011 983320802 /nfs/dbraw/zinc/32/08/02/983320802.db2.gz LLNKACFJZHCJRW-UHFFFAOYSA-N 0 1 244.342 2.012 20 0 BEADMN CCCN1CCn2cnc(COCC3CC3)c2C1 ZINC001201638359 983367943 /nfs/dbraw/zinc/36/79/43/983367943.db2.gz LTPNTSKUXBTGNA-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN Clc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001242144019 983377399 /nfs/dbraw/zinc/37/73/99/983377399.db2.gz IQARUCJDTLZDIG-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN CCOC1CN(CCCc2ccccc2)C1 ZINC001201653121 983405940 /nfs/dbraw/zinc/40/59/40/983405940.db2.gz TXUGBMXUWAVPPG-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN O=C1Cc2ccc(-c3ccc(F)cc3O)nc2N1 ZINC001242215616 983408337 /nfs/dbraw/zinc/40/83/37/983408337.db2.gz BOLBZZAOTRZWPV-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN Nc1cnc(-c2ccc(F)cc2O)c(F)c1 ZINC001242215962 983410837 /nfs/dbraw/zinc/41/08/37/983410837.db2.gz LBCAVZXCZQOJQD-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN Oc1cc(F)ccc1-c1ccc2nc[nH]c2n1 ZINC001242216518 983412887 /nfs/dbraw/zinc/41/28/87/983412887.db2.gz WNEUACYDTBCQIN-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cc(F)ccc1-c1cc2c(nn1)CCOC2 ZINC001242217059 983415481 /nfs/dbraw/zinc/41/54/81/983415481.db2.gz KEWCJVNPVKVBDH-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN NC(=S)c1ccnc(-c2ccc(F)cc2O)c1 ZINC001242218526 983420787 /nfs/dbraw/zinc/42/07/87/983420787.db2.gz YIVTWASMZVMEEX-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN FC1(F)CC=C(c2ncc3c(n2)CNC3)CC1 ZINC001242231395 983431177 /nfs/dbraw/zinc/43/11/77/983431177.db2.gz ZFKGIUKZRDXEBE-UHFFFAOYSA-N 0 1 237.253 2.282 20 0 BEADMN CCN(CC)CC(=O)Nc1cccnc1C1CC1 ZINC001355163427 983433507 /nfs/dbraw/zinc/43/35/07/983433507.db2.gz BAFDFGSVXIHVIE-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CCCCCCN1CC(=O)N(CC)C[C@H]1C ZINC001201756620 983460323 /nfs/dbraw/zinc/46/03/23/983460323.db2.gz PACKFOCSICLYJE-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCCC=Cc1nc2[nH]cnc2c(OC)n1 ZINC001242252602 983469233 /nfs/dbraw/zinc/46/92/33/983469233.db2.gz GNPHKJDMMNBTQZ-AATRIKPKSA-N 0 1 218.260 2.175 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C(F)F)c1 ZINC001201731345 983473923 /nfs/dbraw/zinc/47/39/23/983473923.db2.gz PNKMXEUSIKDLOW-UHFFFAOYSA-N 0 1 227.218 2.064 20 0 BEADMN Cc1cc2[nH]ncc2cc1-c1cccc(=O)n1C ZINC001242285111 983505016 /nfs/dbraw/zinc/50/50/16/983505016.db2.gz PVVLWTDNPYEPDI-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)Nc1ccsc1 ZINC001201966767 983529813 /nfs/dbraw/zinc/52/98/13/983529813.db2.gz CWNGKYLYOPTORW-UHFFFAOYSA-N 0 1 236.300 2.135 20 0 BEADMN Cc1c(F)c(F)ccc1-c1cnc(CN)nc1 ZINC001242306729 983531771 /nfs/dbraw/zinc/53/17/71/983531771.db2.gz GQBJSWPRIXGLNI-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN OCc1ccc(F)cc1-c1cncc2nc[nH]c21 ZINC001242342051 983591126 /nfs/dbraw/zinc/59/11/26/983591126.db2.gz HOIJBPHZTBFVRQ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1nc(-c2cccc(F)c2O)cc(N(C)C)n1 ZINC001242348343 983606934 /nfs/dbraw/zinc/60/69/34/983606934.db2.gz QOKLKCDBEZYWPR-UHFFFAOYSA-N 0 1 247.273 2.363 20 0 BEADMN CN(C)c1cncc(-c2cccc(F)c2O)n1 ZINC001242347841 983607294 /nfs/dbraw/zinc/60/72/94/983607294.db2.gz CPUKESLGARJNBA-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Oc1c(F)cccc1-c1ccnc(F)n1 ZINC001242349450 983610192 /nfs/dbraw/zinc/61/01/92/983610192.db2.gz QDEVARNUDLYIKF-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CCN(C)c1cc(-c2cccc(F)c2O)ncn1 ZINC001242349454 983610698 /nfs/dbraw/zinc/61/06/98/983610698.db2.gz QFPUDMAFDONAKM-UHFFFAOYSA-N 0 1 247.273 2.444 20 0 BEADMN Oc1c(F)cccc1-c1cc2[nH]cnc2cn1 ZINC001242349803 983614932 /nfs/dbraw/zinc/61/49/32/983614932.db2.gz UCYFTYGEUANOJX-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1c(F)cccc1-c1cc2nc[nH]c2cn1 ZINC001242349803 983614946 /nfs/dbraw/zinc/61/49/46/983614946.db2.gz UCYFTYGEUANOJX-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COc1c(C)ncnc1-c1cccc(F)c1O ZINC001242351605 983625410 /nfs/dbraw/zinc/62/54/10/983625410.db2.gz YLJCORSKSULYGR-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Oc1c(F)cccc1-c1cnc(F)cn1 ZINC001242351948 983626649 /nfs/dbraw/zinc/62/66/49/983626649.db2.gz DIDAINUHXAAYAV-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CN(CCCC(F)(F)F)Cc1cnccn1 ZINC001202425289 983655181 /nfs/dbraw/zinc/65/51/81/983655181.db2.gz YVWFZSZUPJCTSC-UHFFFAOYSA-N 0 1 233.237 2.251 20 0 BEADMN Cn1cnc(-c2cccc(Cl)c2O)c1 ZINC001242364726 983658147 /nfs/dbraw/zinc/65/81/47/983658147.db2.gz BVAUCOCVNCWZQO-UHFFFAOYSA-N 0 1 208.648 2.446 20 0 BEADMN CC(C)n1cc(-c2nccc3c2CCN3)cn1 ZINC001242433830 983735205 /nfs/dbraw/zinc/73/52/05/983735205.db2.gz CPEWQLKFDZMOGO-UHFFFAOYSA-N 0 1 228.299 2.494 20 0 BEADMN CC(C)n1ccc(-c2cc3nc[nH]c3cn2)n1 ZINC001242449264 983746031 /nfs/dbraw/zinc/74/60/31/983746031.db2.gz HWPFIVIITLYQRU-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN Nc1cncc(-c2cc(N3CCCC3)ccn2)c1 ZINC001242499562 983821360 /nfs/dbraw/zinc/82/13/60/983821360.db2.gz CNYFAWLDHKELAR-UHFFFAOYSA-N 0 1 240.310 2.326 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])n1C)CC(C)C ZINC001596358003 983831996 /nfs/dbraw/zinc/83/19/96/983831996.db2.gz YJFTVPULVFEGAO-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCCC1 ZINC001596357982 983832157 /nfs/dbraw/zinc/83/21/57/983832157.db2.gz WOBVCACEFPUUTL-UHFFFAOYSA-N 0 1 236.315 2.477 20 0 BEADMN CN(C)c1cncc(-c2cncc3nc[nH]c32)c1 ZINC001242529728 983851758 /nfs/dbraw/zinc/85/17/58/983851758.db2.gz ZQLHXJZFYMBIJO-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CC(C)n1nccc1-c1nccc2[nH]cnc21 ZINC001242554215 983873050 /nfs/dbraw/zinc/87/30/50/983873050.db2.gz JAXPNTZFZPDMGA-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1F ZINC001137084448 983932743 /nfs/dbraw/zinc/93/27/43/983932743.db2.gz NTDAAJYLGPINSO-PWSUYJOCSA-N 0 1 245.301 2.420 20 0 BEADMN CC(=O)c1cc(-c2nccc3[nH]cnc32)ccn1 ZINC001242608764 983967440 /nfs/dbraw/zinc/96/74/40/983967440.db2.gz NLIZQWAEGUDVCE-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC(=O)c1cc(-c2[nH]ccc3ncnc2-3)ccn1 ZINC001242608764 983967445 /nfs/dbraw/zinc/96/74/45/983967445.db2.gz NLIZQWAEGUDVCE-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN CC[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC000201474413 983995331 /nfs/dbraw/zinc/99/53/31/983995331.db2.gz ZMVKOIDAEXWBGJ-VIFPVBQESA-N 0 1 215.293 2.032 20 0 BEADMN c1cnc2c(c1)cccc2CN1CC2(COC2)C1 ZINC001137171009 984022503 /nfs/dbraw/zinc/02/25/03/984022503.db2.gz STYRYSNTFLLSKM-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN Cc1ccc2c(cccc2-n2cncc2N)n1 ZINC001212795939 984047596 /nfs/dbraw/zinc/04/75/96/984047596.db2.gz JXAATOXXURDHRH-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCc1cc(OC)ccc1-c1cnc(CN)nc1 ZINC001242699046 984051012 /nfs/dbraw/zinc/05/10/12/984051012.db2.gz DSCZFLVVPONKJO-UHFFFAOYSA-N 0 1 243.310 2.173 20 0 BEADMN NCc1ncc(-c2cc3cc(F)ccc3o2)cn1 ZINC001242708262 984058552 /nfs/dbraw/zinc/05/85/52/984058552.db2.gz XOHVVDOSHZALHY-UHFFFAOYSA-N 0 1 243.241 2.488 20 0 BEADMN CC1(C)CO[C@H](CCNCc2cscn2)C1 ZINC000717273495 984103392 /nfs/dbraw/zinc/10/33/92/984103392.db2.gz ITXDICMBTDXXKM-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN COc1cc(-c2cncc3nc[nH]c32)cc(C)n1 ZINC001242748800 984104146 /nfs/dbraw/zinc/10/41/46/984104146.db2.gz WGKOERKRLUMSBZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN O=C([O-])[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001574346735 984111848 /nfs/dbraw/zinc/11/18/48/984111848.db2.gz UXFOEHNGYXODCE-RDBSUJKOSA-N 0 1 245.322 2.167 20 0 BEADMN CC=C(C)c1ccc2nc(C(=O)OC)[nH]c2n1 ZINC001242760500 984124595 /nfs/dbraw/zinc/12/45/95/984124595.db2.gz QLPNUZBRSTXHEB-QPJJXVBHSA-N 0 1 231.255 2.168 20 0 BEADMN Oc1ccc(F)c(-c2cccc3[nH]nnc32)c1 ZINC001242764221 984136674 /nfs/dbraw/zinc/13/66/74/984136674.db2.gz HNIRRROBFCZYPQ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN FC(F)(F)[C@H]1CCN(Cc2ccc[nH]2)C1 ZINC001204007111 984141182 /nfs/dbraw/zinc/14/11/82/984141182.db2.gz AZGYDAUTWBTWAE-QMMMGPOBSA-N 0 1 218.222 2.399 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001204009623 984163821 /nfs/dbraw/zinc/16/38/21/984163821.db2.gz AMGOUOPOEBJBNM-CQSZACIVSA-N 0 1 243.310 2.063 20 0 BEADMN c1c[nH]c(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC001204009620 984164209 /nfs/dbraw/zinc/16/42/09/984164209.db2.gz AMGOUOPOEBJBNM-AWEZNQCLSA-N 0 1 243.310 2.063 20 0 BEADMN C[NH2+]Cc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242800616 984170489 /nfs/dbraw/zinc/17/04/89/984170489.db2.gz IZVAYKBHPXCTSZ-UHFFFAOYSA-N 0 1 249.701 2.222 20 0 BEADMN CCCn1nccc1-c1cc2[nH]cnc2cn1 ZINC001242843220 984191881 /nfs/dbraw/zinc/19/18/81/984191881.db2.gz SWMQPQZDMRJIBL-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN Cc1cc(F)ncc1-n1c(N)nc2ccccc21 ZINC001212812586 984223413 /nfs/dbraw/zinc/22/34/13/984223413.db2.gz AYJPFSUEMVAJMP-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN c1csc(-c2ccc3cncn3c2)n1 ZINC001242896010 984250207 /nfs/dbraw/zinc/25/02/07/984250207.db2.gz JXJFGWXASQBJFR-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN c1csc(-c2c[nH]cc3ncnc2-3)n1 ZINC001242897182 984258132 /nfs/dbraw/zinc/25/81/32/984258132.db2.gz OMFKCCFCSYBCPW-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN c1csc(-c2cncc3nc[nH]c32)n1 ZINC001242897182 984258148 /nfs/dbraw/zinc/25/81/48/984258148.db2.gz OMFKCCFCSYBCPW-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN CCNc1ccccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC001596504410 984259398 /nfs/dbraw/zinc/25/93/98/984259398.db2.gz PHRQYPJWPRTMJC-UHFFFAOYSA-N 0 1 248.326 2.167 20 0 BEADMN Cc1c(-c2cc3nc[nH]c3cc2F)cnn1C ZINC001240381988 984259848 /nfs/dbraw/zinc/25/98/48/984259848.db2.gz ABXHUTISGYXQSZ-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1ccc(-c2nccc3[nH]cnc32)nc1 ZINC001242904935 984271501 /nfs/dbraw/zinc/27/15/01/984271501.db2.gz XAIODZABCBEOLQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cnc(F)cc1-n1c(N)nc2ccccc21 ZINC001212847044 984281647 /nfs/dbraw/zinc/28/16/47/984281647.db2.gz XPUZVBDNLJVXLJ-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN Cc1cnc(F)cc1Nc1cncn1C ZINC001212847600 984282418 /nfs/dbraw/zinc/28/24/18/984282418.db2.gz QTNBUVZTBXHCHC-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN CN(C)Cc1cc(-c2ccncn2)ccc1F ZINC001242919872 984296000 /nfs/dbraw/zinc/29/60/00/984296000.db2.gz WXSBHKMHDYCHCI-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CN(C)Cc1cccc(-c2ccncn2)c1F ZINC001242921768 984298038 /nfs/dbraw/zinc/29/80/38/984298038.db2.gz VYQGNMSVVHQNHI-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN COCc1cncc(-c2cncc3nc[nH]c32)c1 ZINC001242955078 984317739 /nfs/dbraw/zinc/31/77/39/984317739.db2.gz GQUMEIVRRKAKSE-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN CSc1ccc(-c2cnc(CN)nc2)cc1F ZINC001242976679 984346219 /nfs/dbraw/zinc/34/62/19/984346219.db2.gz URPVXBYWCFTFMW-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN CCc1cccc(CN2CC3(CCN3C)C2)c1 ZINC001275057658 984465633 /nfs/dbraw/zinc/46/56/33/984465633.db2.gz MOONNHVGHGWDBX-UHFFFAOYSA-N 0 1 230.355 2.139 20 0 BEADMN CCN1CC2(CCN2CCCC(F)(F)F)C1 ZINC001275084693 984479719 /nfs/dbraw/zinc/47/97/19/984479719.db2.gz BITYBARZUPWGMK-UHFFFAOYSA-N 0 1 236.281 2.109 20 0 BEADMN COc1cnccc1-c1cc2[nH]nnc2cc1F ZINC001243074082 984509515 /nfs/dbraw/zinc/50/95/15/984509515.db2.gz YYDTXGDHGYPMAY-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cccc(-c2cc3[nH]cnc3nc2C)n1 ZINC001243095954 984525832 /nfs/dbraw/zinc/52/58/32/984525832.db2.gz SBQHMYNMPRVCSU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCc1ccccc1CN1CC2(CCN2C)C1 ZINC001275439018 984563414 /nfs/dbraw/zinc/56/34/14/984563414.db2.gz HXSJKYHSVZHSEX-UHFFFAOYSA-N 0 1 230.355 2.139 20 0 BEADMN OCc1cccc(-c2cc3nc[nH]c3cn2)c1F ZINC001243138122 984596394 /nfs/dbraw/zinc/59/63/94/984596394.db2.gz SKFLUYNCGUDISM-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+](Cc1ccccn1)C(C)C ZINC001588946530 984657325 /nfs/dbraw/zinc/65/73/25/984657325.db2.gz SBUAZMGPXCEWCX-WQLSENKSSA-N 0 1 248.326 2.323 20 0 BEADMN Cc1cc(-c2cc[nH+]c(N)c2)ccc1C(=O)[O-] ZINC001243214072 984712562 /nfs/dbraw/zinc/71/25/62/984712562.db2.gz CSGDGLVLVPWFNX-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CC(F)(F)C1 ZINC001447548043 984763933 /nfs/dbraw/zinc/76/39/33/984763933.db2.gz CQCGVQHARRTJPX-UHFFFAOYSA-N 0 1 247.628 2.137 20 0 BEADMN Nc1ccc(F)c(-c2nccc3[nH]cnc32)c1 ZINC001243282637 984806664 /nfs/dbraw/zinc/80/66/64/984806664.db2.gz UBGALMGPLQHOPN-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1c(F)cccc1CN1CC2(CCN2C)C1 ZINC001276170445 984823009 /nfs/dbraw/zinc/82/30/09/984823009.db2.gz XHKWNYQHHADHNJ-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN COc1cnc(-c2ccc(O)c(F)c2F)nc1 ZINC001243340041 984828276 /nfs/dbraw/zinc/82/82/76/984828276.db2.gz WWTGXHILQQOTOZ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN COc1cncc(-c2ccc(O)c(F)c2F)n1 ZINC001243338386 984829157 /nfs/dbraw/zinc/82/91/57/984829157.db2.gz HPRRAAUASASQPJ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN COc1ccnc(-c2ccc(O)c(F)c2F)n1 ZINC001243338450 984830141 /nfs/dbraw/zinc/83/01/41/984830141.db2.gz KDRBXNBWVDKGBZ-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN O=c1occcc1-c1ccc(O)c(F)c1F ZINC001243341871 984831599 /nfs/dbraw/zinc/83/15/99/984831599.db2.gz ZGOPOWUMXXFKKN-UHFFFAOYSA-N 0 1 224.162 2.291 20 0 BEADMN [NH3+]Cc1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343057 984833091 /nfs/dbraw/zinc/83/30/91/984833091.db2.gz VLUQXZFYFVNCNI-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN Oc1ccc(-c2nccn3ccnc23)c(F)c1F ZINC001243342852 984834649 /nfs/dbraw/zinc/83/46/49/984834649.db2.gz MMZJGQDRNWQQDO-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001449840251 984849285 /nfs/dbraw/zinc/84/92/85/984849285.db2.gz CZFXXENNRNUBCG-VIFPVBQESA-N 0 1 239.294 2.414 20 0 BEADMN Cc1ccc(C(=O)Nc2cccc3[nH]nnc32)o1 ZINC001449943566 984849384 /nfs/dbraw/zinc/84/93/84/984849384.db2.gz SZVQTOKSGMZHBT-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCC[C@H](CC)n1nc(COC)c2c1CNC2 ZINC001257260144 984860657 /nfs/dbraw/zinc/86/06/57/984860657.db2.gz PHGXOJOQQRAMOW-JTQLQIEISA-N 0 1 237.347 2.384 20 0 BEADMN CC[C@@H](C)NC1(c2cccc(F)c2)COC1 ZINC001257430393 984998588 /nfs/dbraw/zinc/99/85/88/984998588.db2.gz NIAOYAFZSYODHG-SNVBAGLBSA-N 0 1 223.291 2.439 20 0 BEADMN Cc1cc(CCC(=O)NC2(CC(C)C)CC2)n[nH]1 ZINC001453894780 985011474 /nfs/dbraw/zinc/01/14/74/985011474.db2.gz WRBCNGCXMZZPSV-UHFFFAOYSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1ccnc(F)c1-c1cncc2[nH]cnc21 ZINC001243552036 985113407 /nfs/dbraw/zinc/11/34/07/985113407.db2.gz PSIXUXKYNYQRPG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccnc(F)c1-c1cncc2nc[nH]c21 ZINC001243552036 985113414 /nfs/dbraw/zinc/11/34/14/985113414.db2.gz PSIXUXKYNYQRPG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ncc(CNC(=O)CC(C)(C)CC)[nH]1 ZINC001456142394 985115994 /nfs/dbraw/zinc/11/59/94/985115994.db2.gz MQOROSRALQQVLD-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)NOCc2ccccc2)[C@@H](C)O1 ZINC000686431441 985118752 /nfs/dbraw/zinc/11/87/52/985118752.db2.gz WXKCOBWRYRMHJH-NQBHXWOUSA-N 0 1 249.310 2.048 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000686457923 985121418 /nfs/dbraw/zinc/12/14/18/985121418.db2.gz FAMGEBQGRXYSEB-DOLQZWNJSA-N 0 1 239.319 2.006 20 0 BEADMN CS/C=C/C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456344600 985135828 /nfs/dbraw/zinc/13/58/28/985135828.db2.gz LPNZORUWOGEPJS-SNAWJCMRSA-N 0 1 239.344 2.026 20 0 BEADMN C[C@H](C(=O)Nc1ccc2cncn2c1)C1CC1 ZINC001456443902 985144612 /nfs/dbraw/zinc/14/46/12/985144612.db2.gz FWRLOGLCESVKOM-VIFPVBQESA-N 0 1 229.283 2.319 20 0 BEADMN CCCCC[C@H](C)N1CC(OCCOC)C1 ZINC001257517996 985193665 /nfs/dbraw/zinc/19/36/65/985193665.db2.gz GUOVPDZGCZLEBA-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@H](F)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC001457818200 985241444 /nfs/dbraw/zinc/24/14/44/985241444.db2.gz HMRBGALAZITZNC-BYPYZUCNSA-N 0 1 239.172 2.115 20 0 BEADMN CC1(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000687297136 985285675 /nfs/dbraw/zinc/28/56/75/985285675.db2.gz GSTGSICXKUBCDQ-CYBMUJFWSA-N 0 1 245.322 2.471 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC1(C(C)C)CC1 ZINC000687536301 985307074 /nfs/dbraw/zinc/30/70/74/985307074.db2.gz UHULPVSCDHSQQK-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1c(F)nccc1-c1cncc2nc[nH]c21 ZINC001243779162 985318618 /nfs/dbraw/zinc/31/86/18/985318618.db2.gz QEQZAADPZRRVHM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CO[C@H]1CC=C(c2nc(F)nc3nc[nH]c32)CC1 ZINC001243808368 985389047 /nfs/dbraw/zinc/38/90/47/985389047.db2.gz MKAYFPVMUKJBIT-QMMMGPOBSA-N 0 1 248.261 2.026 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CC2(C1)CS(=O)C2 ZINC001258089096 985391523 /nfs/dbraw/zinc/39/15/23/985391523.db2.gz RGSURSFKECCHFL-GFCCVEGCSA-N 0 1 241.400 2.186 20 0 BEADMN CO[C@H]1CC=C(c2nc3nc[nH]c3c(C)n2)CC1 ZINC001243808530 985394166 /nfs/dbraw/zinc/39/41/66/985394166.db2.gz QRRDAFYJCRGELO-JTQLQIEISA-N 0 1 244.298 2.195 20 0 BEADMN CC[C@]1(C)COCCN1C[C@@H](O)c1ccccc1 ZINC000687943133 985423343 /nfs/dbraw/zinc/42/33/43/985423343.db2.gz BYRVYWVJSNPZQB-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1nc2ccccc2s1 ZINC000688048664 985530656 /nfs/dbraw/zinc/53/06/56/985530656.db2.gz OHBJUSIPGRPZIF-MWLCHTKSSA-N 0 1 248.351 2.421 20 0 BEADMN C[C@H]1COC[C@H]1NCc1nc2ccccc2s1 ZINC000688048660 985531975 /nfs/dbraw/zinc/53/19/75/985531975.db2.gz OHBJUSIPGRPZIF-GXSJLCMTSA-N 0 1 248.351 2.421 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@@H](C)OC[C@H]1C ZINC001258195445 985588013 /nfs/dbraw/zinc/58/80/13/985588013.db2.gz QTKACQDGVAEITF-QJPTWQEYSA-N 0 1 223.316 2.320 20 0 BEADMN Cc1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243928041 985602636 /nfs/dbraw/zinc/60/26/36/985602636.db2.gz SPXOLAQEJZGWHL-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1nc2cccc(-c3cccc4nncn43)c2[nH]1 ZINC001243931054 985607085 /nfs/dbraw/zinc/60/70/85/985607085.db2.gz AHVLLBDVQRRYDV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COC(=O)c1c(OC)cccc1C1=CNCCC1 ZINC001243949330 985637339 /nfs/dbraw/zinc/63/73/39/985637339.db2.gz BBXDHYJMYMYRDK-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN CCOC(=O)c1cc(C2=CNCCC2)cnc1C ZINC001243950140 985641013 /nfs/dbraw/zinc/64/10/13/985641013.db2.gz NSJGMBLHLFULKE-UHFFFAOYSA-N 0 1 246.310 2.291 20 0 BEADMN CN1C(=O)NCc2cccc(C3=CNCCC3)c21 ZINC001243951152 985647306 /nfs/dbraw/zinc/64/73/06/985647306.db2.gz BVMGWVFPWXLLLX-UHFFFAOYSA-N 0 1 243.310 2.070 20 0 BEADMN CSCC[C@H](C)N1CCn2c(cnc2C)C1 ZINC001258216286 985650496 /nfs/dbraw/zinc/65/04/96/985650496.db2.gz WFFVRNBBZVEXEG-JTQLQIEISA-N 0 1 239.388 2.149 20 0 BEADMN COc1nc2[nH]ccc2cc1C1=CNCCC1 ZINC001243951463 985653916 /nfs/dbraw/zinc/65/39/16/985653916.db2.gz IFWVMPNOVSBJQA-UHFFFAOYSA-N 0 1 229.283 2.247 20 0 BEADMN c1nc2c(cc1C1=CNCCC1)CN=N2 ZINC001243952858 985659841 /nfs/dbraw/zinc/65/98/41/985659841.db2.gz WQXZNURRNIXABL-UHFFFAOYSA-N 0 1 200.245 2.403 20 0 BEADMN CCCN(CC(=O)OCC)[C@@H](C)CCSC ZINC001258225942 985675367 /nfs/dbraw/zinc/67/53/67/985675367.db2.gz JEBUHCXFFKZIQP-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN COc1ccnc(-c2ccc3[nH]c(C)nc3c2)n1 ZINC001243962952 985681788 /nfs/dbraw/zinc/68/17/88/985681788.db2.gz KVTRYOIOGBLUPG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1cc(-c2nccc3[nH]cnc32)cc(F)n1 ZINC001243967445 985687879 /nfs/dbraw/zinc/68/78/79/985687879.db2.gz CKQUNXSFXOHGIE-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN CC[C@H]1CCN(CC(=O)OC(C)(C)C)[C@@H]1C ZINC001459985773 985692315 /nfs/dbraw/zinc/69/23/15/985692315.db2.gz OIGDYJCOOVGPAL-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCc1nnc(CNC[C@@H](C)CC(F)F)s1 ZINC000688751048 985721279 /nfs/dbraw/zinc/72/12/79/985721279.db2.gz WIWVHJVXCNMUTQ-ZETCQYMHSA-N 0 1 249.330 2.481 20 0 BEADMN COc1ccc(-c2cnc(CN)nc2)c(C)c1C ZINC001243997944 985723424 /nfs/dbraw/zinc/72/34/24/985723424.db2.gz GXSJSTNHFQEAOV-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN CSc1ncc(CN2CC[C@@H](C)C2)cn1 ZINC001138701587 985723255 /nfs/dbraw/zinc/72/32/55/985723255.db2.gz QXFAQGJDSQZIII-SECBINFHSA-N 0 1 223.345 2.040 20 0 BEADMN Cc1csc(CNC[C@H]2CCC[C@@H](C)O2)n1 ZINC000688895373 985752094 /nfs/dbraw/zinc/75/20/94/985752094.db2.gz SSIDKDRATIJRBU-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1csc(CNC[C@@H]2CCC[C@@H](C)O2)n1 ZINC000688895374 985752597 /nfs/dbraw/zinc/75/25/97/985752597.db2.gz SSIDKDRATIJRBU-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN F[C@@H]1CN(Cc2cnc3[nH]ccc3c2)C[C@@H]2C[C@@H]21 ZINC001138744934 985809409 /nfs/dbraw/zinc/80/94/09/985809409.db2.gz ZDNVZXSGUWFKOA-RWMBFGLXSA-N 0 1 245.301 2.353 20 0 BEADMN CSC(C)(C)C[C@@H](C)N1CCC12COC2 ZINC001258341509 985816133 /nfs/dbraw/zinc/81/61/33/985816133.db2.gz LKGZKOUFQATBQA-SNVBAGLBSA-N 0 1 229.389 2.381 20 0 BEADMN CO[C@H]1CC=C(Nc2cnn3cccnc23)CC1 ZINC001212873548 985823476 /nfs/dbraw/zinc/82/34/76/985823476.db2.gz OFOAMPTZCIKHRN-NSHDSACASA-N 0 1 244.298 2.224 20 0 BEADMN CO[C@H]1CC=C(Nc2ncccc2O)CC1 ZINC001212873523 985823782 /nfs/dbraw/zinc/82/37/82/985823782.db2.gz NNLQKUQVTXUKJK-JTQLQIEISA-N 0 1 220.272 2.282 20 0 BEADMN CO[C@@H]1CC=C(Nc2nccnc2N(C)C)CC1 ZINC001212873685 985826349 /nfs/dbraw/zinc/82/63/49/985826349.db2.gz RSPKGIMEEMAPBE-LLVKDONJSA-N 0 1 248.330 2.037 20 0 BEADMN COC1CCC(=Nc2ncccc2CO)CC1 ZINC001212875157 985833848 /nfs/dbraw/zinc/83/38/48/985833848.db2.gz JAWBNQZSGRAEMO-LBPRGKRZSA-N 0 1 234.299 2.069 20 0 BEADMN COC(=O)CC[C@@H](C)N[C@@H](C)c1nccs1 ZINC001258356280 985837930 /nfs/dbraw/zinc/83/79/30/985837930.db2.gz UAZZCLHMUAMPJE-BDAKNGLRSA-N 0 1 242.344 2.135 20 0 BEADMN Cc1cc(C)c(-c2nc(F)nc3nc[nH]c32)cn1 ZINC001244148512 985852720 /nfs/dbraw/zinc/85/27/20/985852720.db2.gz ZLNOVRDSVMAQKI-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN CC(F)(F)CCCN1CCn2nccc2C1 ZINC001460507053 985859169 /nfs/dbraw/zinc/85/91/69/985859169.db2.gz UDYCHQKOIGDARE-UHFFFAOYSA-N 0 1 229.274 2.134 20 0 BEADMN CCc1n[nH]cc1-c1nc(-c2cccnc2)no1 ZINC001212886419 985886237 /nfs/dbraw/zinc/88/62/37/985886237.db2.gz LLFSGIGRZIHVHY-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN CC(F)(F)CN1CCN(CCCCF)CC1 ZINC001460839370 985906834 /nfs/dbraw/zinc/90/68/34/985906834.db2.gz BJJXBNQVZIVNTG-UHFFFAOYSA-N 0 1 238.297 2.009 20 0 BEADMN COCOc1cccc(Nc2c(C)ncn2C)c1 ZINC001212898614 985901950 /nfs/dbraw/zinc/90/19/50/985901950.db2.gz YGCLNIROIFPVOZ-UHFFFAOYSA-N 0 1 247.298 2.455 20 0 BEADMN CCCCCCN1CC(=O)NC[C@H]1C(C)(C)C ZINC001460829357 985908259 /nfs/dbraw/zinc/90/82/59/985908259.db2.gz CZXODHOKBAQKDC-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1CCCCF ZINC001460989842 985981890 /nfs/dbraw/zinc/98/18/90/985981890.db2.gz QOSMMHDLPKFVMR-TUAOUCFPSA-N 0 1 243.322 2.152 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C(=O)[O-])CCC1(F)F ZINC001594528739 986103666 /nfs/dbraw/zinc/10/36/66/986103666.db2.gz QDDBJEKKXSBXLI-SECBINFHSA-N 0 1 249.301 2.464 20 0 BEADMN CCc1nc(CNCC(C)(C)[C@@H](C)O)cs1 ZINC001461795994 986163149 /nfs/dbraw/zinc/16/31/49/986163149.db2.gz MDOAGTBBJDIVOG-SECBINFHSA-N 0 1 242.388 2.202 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC001461809437 986166206 /nfs/dbraw/zinc/16/62/06/986166206.db2.gz CNAAAGCBPZEFRJ-WCABBAIRSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NCc1nccn1C1CC1 ZINC001461836335 986190161 /nfs/dbraw/zinc/19/01/61/986190161.db2.gz DHUKHVPMMCCFFN-NWDGAFQWSA-N 0 1 219.332 2.352 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CC2(CCC2)C1 ZINC001579790451 986224438 /nfs/dbraw/zinc/22/44/38/986224438.db2.gz VPTJVQJQEPMXJG-CYBMUJFWSA-N 0 1 244.338 2.007 20 0 BEADMN Cc1cc(-c2cnc(CN)nc2)cc(Cl)c1O ZINC001244548236 986239605 /nfs/dbraw/zinc/23/96/05/986239605.db2.gz YSQWYFNEMPIHDU-UHFFFAOYSA-N 0 1 249.701 2.270 20 0 BEADMN CC[C@@H]1CN(C[C@@]2(C)CCCCO2)CCO1 ZINC001462034809 986264667 /nfs/dbraw/zinc/26/46/67/986264667.db2.gz AKJXZLZXNUBOJU-CHWSQXEVSA-N 0 1 227.348 2.056 20 0 BEADMN CC[C@H]1CN(C[C@@]2(C)CCCCO2)CCO1 ZINC001462034811 986267716 /nfs/dbraw/zinc/26/77/16/986267716.db2.gz AKJXZLZXNUBOJU-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@@H]1CCC[C@@H](N2CCc3ncn(C)c3C2)C1 ZINC001258825900 986287652 /nfs/dbraw/zinc/28/76/52/986287652.db2.gz ANTUDIBDASNNCD-VXGBXAGGSA-N 0 1 233.359 2.357 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001462156020 986298666 /nfs/dbraw/zinc/29/86/66/986298666.db2.gz WQZRDJFNXJSNBU-SDDRHHMPSA-N 0 1 248.374 2.311 20 0 BEADMN Cc1ccc2c(n[nH]c2NC[C@@H](O)C(C)(C)C)n1 ZINC001253717917 986339064 /nfs/dbraw/zinc/33/90/64/986339064.db2.gz PRKARANMPSDSQS-SNVBAGLBSA-N 0 1 248.330 2.085 20 0 BEADMN Cc1ccc2[nH]c(NC[C@H](O)C(C)C)nc2c1 ZINC001253752343 986372919 /nfs/dbraw/zinc/37/29/19/986372919.db2.gz FKAGWXVLNAGEDZ-LBPRGKRZSA-N 0 1 233.315 2.300 20 0 BEADMN COc1ncc(-c2cncc3cc[nH]c32)cc1O ZINC001244847448 986398862 /nfs/dbraw/zinc/39/88/62/986398862.db2.gz ZLQOGNVGBQUVPQ-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CO[C@H](C)CNCc1ccc(C)nc1Cl ZINC001462550763 986426658 /nfs/dbraw/zinc/42/66/58/986426658.db2.gz QHWCKPZOQNETAM-SECBINFHSA-N 0 1 228.723 2.168 20 0 BEADMN COc1ccc(-c2cccc3[nH]nnc32)cc1N ZINC001244896293 986429854 /nfs/dbraw/zinc/42/98/54/986429854.db2.gz WJMQZGHHEZRVRV-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN C[C@H]1CN(Cc2cccn2C(F)F)CC[C@H]1O ZINC001462132147 986454138 /nfs/dbraw/zinc/45/41/38/986454138.db2.gz FJPPRDOSSWAMRC-GXSJLCMTSA-N 0 1 244.285 2.086 20 0 BEADMN CN(Cc1nccn1C1CC1)CC1CCC1 ZINC001462638689 986480929 /nfs/dbraw/zinc/48/09/29/986480929.db2.gz ZBQAEUNUAWRPTE-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN NCc1ncc(-c2ccc(F)c3ccoc32)cn1 ZINC001244930959 986489193 /nfs/dbraw/zinc/48/91/93/986489193.db2.gz MKTWBHRTRHGLLC-UHFFFAOYSA-N 0 1 243.241 2.488 20 0 BEADMN O=C(OCc1nnc[nH]1)C(C1CCC1)C1CCC1 ZINC001261589973 986517795 /nfs/dbraw/zinc/51/77/95/986517795.db2.gz VNURBKWQIHAKMJ-UHFFFAOYSA-N 0 1 249.314 2.064 20 0 BEADMN Nc1cccc(CN2CCC[C@@H](F)C2)c1 ZINC000689398567 986559863 /nfs/dbraw/zinc/55/98/63/986559863.db2.gz MDMPPPUJWFGOCQ-LLVKDONJSA-N 0 1 208.280 2.203 20 0 BEADMN Cc1cc(CCC(=O)Nc2cccc(F)c2)n[nH]1 ZINC001463666597 986574118 /nfs/dbraw/zinc/57/41/18/986574118.db2.gz MLTLDNKOSNLENO-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN CCOc1ccc(OC(=O)c2[nH]cnc2C)cc1 ZINC001463751744 986576344 /nfs/dbraw/zinc/57/63/44/986576344.db2.gz BPEMLYWNMDZQJS-UHFFFAOYSA-N 0 1 246.266 2.336 20 0 BEADMN CC[C@@H](CC(F)F)C(=O)NCc1cn[nH]c1C ZINC001464067670 986605076 /nfs/dbraw/zinc/60/50/76/986605076.db2.gz CWFJXTHVOQJZGS-QMMMGPOBSA-N 0 1 245.273 2.016 20 0 BEADMN COc1cc(F)ccc1NC(=O)c1[nH]cnc1C ZINC001464072299 986606210 /nfs/dbraw/zinc/60/62/10/986606210.db2.gz KTPXRIZFTWLKCR-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COc1cnc(F)c(-c2cncc3[nH]cnc32)c1 ZINC001245062604 986623089 /nfs/dbraw/zinc/62/30/89/986623089.db2.gz YMJLILWGKYRJKI-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cnc(F)c(-c2cncc3nc[nH]c32)c1 ZINC001245062604 986623092 /nfs/dbraw/zinc/62/30/92/986623092.db2.gz YMJLILWGKYRJKI-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCCC(C)(C)NC(=O)CCN1CC[C@@H](F)C1 ZINC001464558707 986645195 /nfs/dbraw/zinc/64/51/95/986645195.db2.gz DTBWPBNDQKNFJR-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN Cn1ccc2c1ccnc2C1=CCCOC1 ZINC001245157992 986690769 /nfs/dbraw/zinc/69/07/69/986690769.db2.gz NZINHTZYFZAUNJ-UHFFFAOYSA-N 0 1 214.268 2.377 20 0 BEADMN c1ncn2c1cccc2C1=CCCOC1 ZINC001245161253 986710189 /nfs/dbraw/zinc/71/01/89/986710189.db2.gz HOUYHFVUCANINS-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN Cc1cccc2nc(CN3CC4CC(C4)C3)cn21 ZINC001137302548 986732696 /nfs/dbraw/zinc/73/26/96/986732696.db2.gz KCBYJSGDNMNOIS-UHFFFAOYSA-N 0 1 241.338 2.485 20 0 BEADMN Cc1c2[nH]c(CCO)nc2ccc1Cl ZINC000586894490 986739961 /nfs/dbraw/zinc/73/99/61/986739961.db2.gz IGBHYONBLGNBTG-UHFFFAOYSA-N 0 1 210.664 2.060 20 0 BEADMN CCN(Cc1cc2ccccc2[nH]1)C1CN(C)C1 ZINC001137320609 986764371 /nfs/dbraw/zinc/76/43/71/986764371.db2.gz BTDIJGNFDDJFER-UHFFFAOYSA-N 0 1 243.354 2.304 20 0 BEADMN Cc1cc(C)c(CN2CC3(C2)CCCOC3)[nH]1 ZINC001137323055 986767563 /nfs/dbraw/zinc/76/75/63/986767563.db2.gz WOCXYTXXRNNVIX-UHFFFAOYSA-N 0 1 234.343 2.244 20 0 BEADMN CN(Cc1ccc(-c2cc[nH]n2)nc1)C1CC1 ZINC001245314956 986808478 /nfs/dbraw/zinc/80/84/78/986808478.db2.gz YXBIJTUEWPHPPG-UHFFFAOYSA-N 0 1 228.299 2.066 20 0 BEADMN Nc1ccnc(-c2cnn(CC(F)(F)F)c2)c1 ZINC001245384701 986825865 /nfs/dbraw/zinc/82/58/65/986825865.db2.gz DOUOUBZAQFELNU-UHFFFAOYSA-N 0 1 242.204 2.090 20 0 BEADMN CC(C)c1nnc(CN[C@@H](C)C2(C)CC2)o1 ZINC000700360053 986855678 /nfs/dbraw/zinc/85/56/78/986855678.db2.gz VUXBCTUHFOYYBV-VIFPVBQESA-N 0 1 223.320 2.471 20 0 BEADMN Nc1cccc(CNCc2ccc(F)cn2)c1 ZINC001580457043 986857211 /nfs/dbraw/zinc/85/72/11/986857211.db2.gz IXXOFPFOVHXKHC-UHFFFAOYSA-N 0 1 231.274 2.093 20 0 BEADMN Cc1ccc(F)c(CN[C@@H]2CCSC2)n1 ZINC001255271544 986879796 /nfs/dbraw/zinc/87/97/96/986879796.db2.gz ZLIFVRXYNPAJBO-SECBINFHSA-N 0 1 226.320 2.124 20 0 BEADMN CC1(C)COCCN1Cc1c[nH]c2ncccc12 ZINC001137401848 986880854 /nfs/dbraw/zinc/88/08/54/986880854.db2.gz JCMWVMYUYBSSQH-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cc(CN2CCc3cnccc3C2)ccn1 ZINC001137407531 986884893 /nfs/dbraw/zinc/88/48/93/986884893.db2.gz SNWLXEBODRCYTQ-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cnc(C2CC2)[nH]1 ZINC001255311073 986901635 /nfs/dbraw/zinc/90/16/35/986901635.db2.gz VFGFWRLTZAWECJ-QMMMGPOBSA-N 0 1 237.303 2.089 20 0 BEADMN CCCC[C@H](C)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001255332422 986929653 /nfs/dbraw/zinc/92/96/53/986929653.db2.gz OUBDQEPVRXQDFC-RYUDHWBXSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1cc(F)c(-c2cc3c(nn2)CNC3)cc1F ZINC001245541537 986931913 /nfs/dbraw/zinc/93/19/13/986931913.db2.gz CWVBOBRWMPPZRB-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CC(F)(F)C(=O)Nc1ccc(F)c(F)c1O ZINC001468790580 986938926 /nfs/dbraw/zinc/93/89/26/986938926.db2.gz XGEHYVQVOQDCCF-UHFFFAOYSA-N 0 1 237.152 2.264 20 0 BEADMN CCOc1cccc(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC001138101347 986969310 /nfs/dbraw/zinc/96/93/10/986969310.db2.gz YPIYKXDSQOHKSC-CYBMUJFWSA-N 0 1 248.370 2.221 20 0 BEADMN CSc1cccnc1NC(=O)c1coc(C)n1 ZINC001469786672 987003221 /nfs/dbraw/zinc/00/32/21/987003221.db2.gz HVYDHUJDBWDJAM-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN Oc1cc(-c2cnc(F)nc2)c(F)c(F)c1F ZINC001245634398 987008618 /nfs/dbraw/zinc/00/86/18/987008618.db2.gz CTBKHQUOBRSZFN-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Cc1ncnc(-c2c(O)cccc2F)c1F ZINC001245652289 987014270 /nfs/dbraw/zinc/01/42/70/987014270.db2.gz YDGHVTWIYZOBDP-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CN(C)c1cncc(-c2c(O)cccc2F)n1 ZINC001245652281 987020392 /nfs/dbraw/zinc/02/03/92/987020392.db2.gz XUJLEKJVJBSQBR-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN COCc1nc(C)cc(-c2c(O)cccc2F)n1 ZINC001245653932 987025281 /nfs/dbraw/zinc/02/52/81/987025281.db2.gz QCUSSWCWKDNKGR-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN COCc1ccc(-c2c(O)cccc2F)nn1 ZINC001245653507 987027923 /nfs/dbraw/zinc/02/79/23/987027923.db2.gz IBIPPIUVYNGCGC-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN O=C1Cc2ccnc(-c3c(O)cccc3F)c2N1 ZINC001245654696 987030798 /nfs/dbraw/zinc/03/07/98/987030798.db2.gz QUTDLRFXUIUOAI-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[Si](C)(C)C)C1CCC1 ZINC001589486636 987031694 /nfs/dbraw/zinc/03/16/94/987031694.db2.gz RHXJVOGYMBPYMI-SECBINFHSA-N 0 1 229.396 2.191 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[Si](C)(C)C)C1CCC1 ZINC001589486637 987032837 /nfs/dbraw/zinc/03/28/37/987032837.db2.gz RHXJVOGYMBPYMI-VIFPVBQESA-N 0 1 229.396 2.191 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001589488344 987053650 /nfs/dbraw/zinc/05/36/50/987053650.db2.gz XYWACSFOKLNRNM-GZMMTYOYSA-N 0 1 223.247 2.046 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001589488344 987053658 /nfs/dbraw/zinc/05/36/58/987053658.db2.gz XYWACSFOKLNRNM-GZMMTYOYSA-N 0 1 223.247 2.046 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001589488347 987053881 /nfs/dbraw/zinc/05/38/81/987053881.db2.gz XYWACSFOKLNRNM-LDYMZIIASA-N 0 1 223.247 2.046 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001589488347 987053888 /nfs/dbraw/zinc/05/38/88/987053888.db2.gz XYWACSFOKLNRNM-LDYMZIIASA-N 0 1 223.247 2.046 20 0 BEADMN Nc1cnc(-c2c(F)ccc(O)c2Cl)nc1 ZINC001245832620 987095570 /nfs/dbraw/zinc/09/55/70/987095570.db2.gz QWNFZXZXWSEZIT-UHFFFAOYSA-N 0 1 239.637 2.224 20 0 BEADMN COc1cnc(C)nc1-c1ccc2cncn2c1 ZINC001245894096 987101275 /nfs/dbraw/zinc/10/12/75/987101275.db2.gz FVZMMUWLUQWFJV-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN c1ncn2cc(-c3cc4nccnc4cn3)ccc12 ZINC001245896138 987107725 /nfs/dbraw/zinc/10/77/25/987107725.db2.gz LSOZKFNODQOKOT-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN COc1ccc(-c2ccc3cncn3c2)nc1 ZINC001245894818 987110263 /nfs/dbraw/zinc/11/02/63/987110263.db2.gz MMGPNAHGHWJUOP-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cc1cncc(-c2ccc3cncn3c2)n1 ZINC001245895147 987111055 /nfs/dbraw/zinc/11/10/55/987111055.db2.gz QKRCFLHZWMMAJN-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1cnnc(-c2ccc3cncn3c2)c1 ZINC001245894930 987114539 /nfs/dbraw/zinc/11/45/39/987114539.db2.gz NWAYYOHKNHQBCO-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN O=C1NCc2c1cccc2-c1ccc2cncn2c1 ZINC001245898997 987129030 /nfs/dbraw/zinc/12/90/30/987129030.db2.gz ZXCMQTBZMAMYJB-UHFFFAOYSA-N 0 1 249.273 2.245 20 0 BEADMN O=c1cc(C2CC2)[nH]n1Cc1cccc(O)c1 ZINC001245911451 987133011 /nfs/dbraw/zinc/13/30/11/987133011.db2.gz SBFVTDAIVQIKRM-UHFFFAOYSA-N 0 1 230.267 2.220 20 0 BEADMN CCc1cc(=O)n(-c2cccc(F)c2OC)[nH]1 ZINC001245917345 987148657 /nfs/dbraw/zinc/14/86/57/987148657.db2.gz HLXMFGLVRHTGCN-UHFFFAOYSA-N 0 1 236.246 2.288 20 0 BEADMN CC(C)c1cc(=O)n(Cc2cccnc2)[nH]1 ZINC001245918322 987153129 /nfs/dbraw/zinc/15/31/29/987153129.db2.gz XTKRHWBMXQMPLY-UHFFFAOYSA-N 0 1 217.272 2.155 20 0 BEADMN CC(C)c1cc(=O)n(-c2cccnc2F)[nH]1 ZINC001245917115 987153203 /nfs/dbraw/zinc/15/32/03/987153203.db2.gz DOKGQWGUNXFLRF-UHFFFAOYSA-N 0 1 221.235 2.235 20 0 BEADMN Cn1cc(Cn2[nH]c(C3CCCC3)cc2=O)cn1 ZINC001245928832 987186171 /nfs/dbraw/zinc/18/61/71/987186171.db2.gz SFDLHTPFJDEMCW-UHFFFAOYSA-N 0 1 246.314 2.028 20 0 BEADMN CCN1N=C(c2ccc3c(c2)OCO3)CC1=O ZINC001245929379 987194022 /nfs/dbraw/zinc/19/40/22/987194022.db2.gz AUEYTCVSKIITAZ-UHFFFAOYSA-N 0 1 232.239 2.004 20 0 BEADMN CC[C@@H](O)CN1N=C(c2ccccc2C)CC1=O ZINC001245935185 987195988 /nfs/dbraw/zinc/19/59/88/987195988.db2.gz BOTYROZOXUYHBQ-LLVKDONJSA-N 0 1 246.310 2.335 20 0 BEADMN CCc1ccccc1-n1[nH]c(CCOC)cc1=O ZINC001245940680 987212839 /nfs/dbraw/zinc/21/28/39/987212839.db2.gz YGIAHHPENWGZJO-UHFFFAOYSA-N 0 1 246.310 2.329 20 0 BEADMN COCCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1 ZINC001245939421 987215550 /nfs/dbraw/zinc/21/55/50/987215550.db2.gz FFYVBNHOWZZYMS-UHFFFAOYSA-N 0 1 246.310 2.384 20 0 BEADMN CC[C@@H](C)n1[nH]c(C2CCOCC2)cc1=O ZINC001245943231 987221956 /nfs/dbraw/zinc/22/19/56/987221956.db2.gz RIAXIWVWVKOFIM-SECBINFHSA-N 0 1 224.304 2.454 20 0 BEADMN COc1nscc1CN1C[C@@H](C)[C@H](C)C1 ZINC001473184376 987361120 /nfs/dbraw/zinc/36/11/20/987361120.db2.gz JLKLVPRMNZIJIY-RKDXNWHRSA-N 0 1 226.345 2.240 20 0 BEADMN C[C@H]1CN(CC2=NOCC2)[C@H]1c1ccccc1 ZINC001473208408 987369643 /nfs/dbraw/zinc/36/96/43/987369643.db2.gz OMOZFTHZSYJXQR-SMDDNHRTSA-N 0 1 230.311 2.456 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000699719929 987379916 /nfs/dbraw/zinc/37/99/16/987379916.db2.gz DYDKGBACJNFBNN-IVZWLZJFSA-N 0 1 249.301 2.463 20 0 BEADMN CC[C@H]1CCN(Cc2ncccn2)[C@H]1C ZINC001473402309 987419227 /nfs/dbraw/zinc/41/92/27/987419227.db2.gz JEMQMJGJNKQSNB-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@H]1[C@H](C(F)(F)F)CCN1CC1=NOCC1 ZINC001473438730 987432803 /nfs/dbraw/zinc/43/28/03/987432803.db2.gz QUZPWKAHPVBQRZ-IONNQARKSA-N 0 1 236.237 2.035 20 0 BEADMN Cc1ncsc1CCCN1CC[C@@H](F)C1 ZINC001473491104 987450092 /nfs/dbraw/zinc/45/00/92/987450092.db2.gz RXWWZBZIEIFQFP-SNVBAGLBSA-N 0 1 228.336 2.428 20 0 BEADMN CC(C)CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001116272755 987503147 /nfs/dbraw/zinc/50/31/47/987503147.db2.gz KVVYHMPZTZALNZ-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN CC(F)(F)CN1CCN(CCCC2CC2)CC1 ZINC001473828745 987572156 /nfs/dbraw/zinc/57/21/56/987572156.db2.gz GKHMBLNVGXTLST-UHFFFAOYSA-N 0 1 246.345 2.449 20 0 BEADMN Cc1cc(CN2CCC[C@H]2c2ccccn2)n[nH]1 ZINC001116439495 987572902 /nfs/dbraw/zinc/57/29/02/987572902.db2.gz CRHIFUQZQUILII-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN COCc1noc([C@H](C)N[C@H](C)C2(C)CC2)n1 ZINC001473855429 987577291 /nfs/dbraw/zinc/57/72/91/987577291.db2.gz UICDJWPYXPSLEJ-DTWKUNHWSA-N 0 1 239.319 2.055 20 0 BEADMN CCc1[nH]c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC001597384339 987588257 /nfs/dbraw/zinc/58/82/57/987588257.db2.gz JWEVCKBLRSQRCD-NXEZZACHSA-N 0 1 248.326 2.117 20 0 BEADMN Cc1cc(CNc2cnn(CC(C)C)c2C)n[nH]1 ZINC001116489609 987601657 /nfs/dbraw/zinc/60/16/57/987601657.db2.gz KIFSYSHPPZTMGW-UHFFFAOYSA-N 0 1 247.346 2.491 20 0 BEADMN CCc1nc(NC(=O)/C=C2/CC[C@@H](C)C2)n[nH]1 ZINC001116494283 987604262 /nfs/dbraw/zinc/60/42/62/987604262.db2.gz DBVDWOSJKSVPOO-XZZQCUQZSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CC[C@@H](C)C2)n1 ZINC001116494283 987604266 /nfs/dbraw/zinc/60/42/66/987604266.db2.gz DBVDWOSJKSVPOO-XZZQCUQZSA-N 0 1 234.303 2.052 20 0 BEADMN COC(=O)CN1CCC[C@@H](C2CCCC2)C1 ZINC001473888237 987604363 /nfs/dbraw/zinc/60/43/63/987604363.db2.gz UXDHPFZAVYPUDY-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN CCc1nc(NC(=O)/C=C(/C)C(C)(C)C)n[nH]1 ZINC001116503909 987608790 /nfs/dbraw/zinc/60/87/90/987608790.db2.gz QOTSIMJZDRWZDB-FPLPWBNLSA-N 0 1 236.319 2.298 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C(C)C(C)(C)C)n1 ZINC001116503909 987608794 /nfs/dbraw/zinc/60/87/94/987608794.db2.gz QOTSIMJZDRWZDB-FPLPWBNLSA-N 0 1 236.319 2.298 20 0 BEADMN Cn1cnc(CNC2CCC3(CCC3)CC2)n1 ZINC001474072088 987637134 /nfs/dbraw/zinc/63/71/34/987637134.db2.gz JZEOFSHAVIWYAL-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN c1nscc1CNc1ccc2nn[nH]c2c1 ZINC001474052559 987637799 /nfs/dbraw/zinc/63/77/99/987637799.db2.gz WYUOBMMBJDDGFY-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN c1nscc1CNc1ccc2n[nH]nc2c1 ZINC001474052559 987637803 /nfs/dbraw/zinc/63/78/03/987637803.db2.gz WYUOBMMBJDDGFY-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN CC(C)CCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116609849 987642848 /nfs/dbraw/zinc/64/28/48/987642848.db2.gz OBEKSCZZVSVFNF-LBPRGKRZSA-N 0 1 249.358 2.467 20 0 BEADMN CN(C)c1nc(N[C@@H]2CCCC(C)(C)C2)n[nH]1 ZINC001474140781 987646318 /nfs/dbraw/zinc/64/63/18/987646318.db2.gz PENQMTZLOJWFQR-SECBINFHSA-N 0 1 237.351 2.251 20 0 BEADMN CC[C@@H](CC(C)C)NC1(C(F)(F)F)CNC1 ZINC001246251883 987650197 /nfs/dbraw/zinc/65/01/97/987650197.db2.gz FTEXLWANHSUNAH-VIFPVBQESA-N 0 1 238.297 2.305 20 0 BEADMN C[C@@H]1CCC[C@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246254969 987653250 /nfs/dbraw/zinc/65/32/50/987653250.db2.gz TXFSCKGYKUMFPR-BDAKNGLRSA-N 0 1 236.281 2.059 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C2CCC1CC2 ZINC001116695704 987674287 /nfs/dbraw/zinc/67/42/87/987674287.db2.gz GFCQLAOUIWALTO-UHFFFAOYSA-N 0 1 231.299 2.054 20 0 BEADMN COCCOc1ccc(CNCCC(F)F)o1 ZINC001474298778 987684162 /nfs/dbraw/zinc/68/41/62/987684162.db2.gz XUZQZOSXHJAPCZ-UHFFFAOYSA-N 0 1 249.257 2.050 20 0 BEADMN COC(=O)[C@]1(F)CCN(CCCCC(C)C)C1 ZINC001474326799 987692363 /nfs/dbraw/zinc/69/23/63/987692363.db2.gz MEMNZWCHXNDCOW-ZDUSSCGKSA-N 0 1 245.338 2.400 20 0 BEADMN COC[C@]1(C)CCN(Cc2cn(C3CC3)cn2)C1 ZINC001474538455 987750875 /nfs/dbraw/zinc/75/08/75/987750875.db2.gz SYIMHJLJHFNVNT-CQSZACIVSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H](F)CCNCc1ncccc1F ZINC001474541177 987751676 /nfs/dbraw/zinc/75/16/76/987751676.db2.gz JYZFRDKHBYNMPT-MRVPVSSYSA-N 0 1 200.232 2.058 20 0 BEADMN CCc1cccc(CN2CC(C)(C(=O)OC)C2)c1 ZINC001474591464 987770932 /nfs/dbraw/zinc/77/09/32/987770932.db2.gz AKSVCUCTAZQBKP-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN OC[C@H](NC1CCC2(CCC2)CC1)c1ncc[nH]1 ZINC001474724066 987809766 /nfs/dbraw/zinc/80/97/66/987809766.db2.gz NSHQWLIEZUDUTJ-LBPRGKRZSA-N 0 1 249.358 2.146 20 0 BEADMN O=C(Nc1c[nH]nn1)Nc1cscc1Cl ZINC001477061774 987852276 /nfs/dbraw/zinc/85/22/76/987852276.db2.gz AVBOYQYIIQJPGE-UHFFFAOYSA-N 0 1 243.679 2.164 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001594770116 987863873 /nfs/dbraw/zinc/86/38/73/987863873.db2.gz AAMBEMMBDCIBOV-RYUDHWBXSA-N 0 1 237.274 2.436 20 0 BEADMN C[C@@H](NC/C=C\C1CC1)c1ccn(C)n1 ZINC001117946075 987961643 /nfs/dbraw/zinc/96/16/43/987961643.db2.gz YOFPJQAYVLKDGO-UMBAGQNISA-N 0 1 205.305 2.037 20 0 BEADMN Nc1nc2c(c(NC/C=C/C3CC3)n1)CCCC2 ZINC001118124234 988026673 /nfs/dbraw/zinc/02/66/73/988026673.db2.gz XGAVSTGTVNBDRM-ONEGZZNKSA-N 0 1 244.342 2.316 20 0 BEADMN O=C([O-])CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC001595055500 988114642 /nfs/dbraw/zinc/11/46/42/988114642.db2.gz LXCMOTZFDFPQSC-GFCCVEGCSA-N 0 1 235.283 2.281 20 0 BEADMN C[N@@H+](CN1C(=O)CC1(C)C)C(C1CC1)C1CC1 ZINC001322324984 988214890 /nfs/dbraw/zinc/21/48/90/988214890.db2.gz KASJFCVYYRYCQT-UHFFFAOYSA-N 0 1 236.359 2.075 20 0 BEADMN CCCC[C@H](CC)C(=O)OCc1nnc[nH]1 ZINC001118388020 988297296 /nfs/dbraw/zinc/29/72/96/988297296.db2.gz XGXDQLZJPMYFQN-VIFPVBQESA-N 0 1 225.292 2.064 20 0 BEADMN CCC(CC)(CC)C(=O)NCCN1CC=CC1 ZINC001322564862 988329005 /nfs/dbraw/zinc/32/90/05/988329005.db2.gz XITUNAORCKLRBU-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1c(C(=O)N[C@H]2CC[C@H]2C)ccc2cncn21 ZINC001322595382 988334008 /nfs/dbraw/zinc/33/40/08/988334008.db2.gz QSTONNIJDHDWJI-RNCFNFMXSA-N 0 1 243.310 2.171 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001322642066 988352577 /nfs/dbraw/zinc/35/25/77/988352577.db2.gz PVGSUXOJTUKQKQ-FRRDWIJNSA-N 0 1 248.374 2.388 20 0 BEADMN Cc1nnc(SC[C@@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC001118516334 988408923 /nfs/dbraw/zinc/40/89/23/988408923.db2.gz FGZPKFILMDNVLV-AYMMMOKOSA-N 0 1 209.318 2.251 20 0 BEADMN CO[C@@H](CSCc1nnc[nH]1)CC(C)C ZINC001118534997 988416979 /nfs/dbraw/zinc/41/69/79/988416979.db2.gz BNKNPLDHDZLVKB-SECBINFHSA-N 0 1 229.349 2.099 20 0 BEADMN CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001323264214 988485487 /nfs/dbraw/zinc/48/54/87/988485487.db2.gz WCFKOKHIOBJWEM-WCQYABFASA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)CC[C@@H](C)N1CC[C@H](N)C(F)(F)C1 ZINC001246839528 988539768 /nfs/dbraw/zinc/53/97/68/988539768.db2.gz XTMMVAOAEMQAAW-MNOVXSKESA-N 0 1 234.334 2.479 20 0 BEADMN C/C=C(\C)C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001499650304 988556871 /nfs/dbraw/zinc/55/68/71/988556871.db2.gz SPFXZMDRKSZUNT-WBOGTDJTSA-N 0 1 238.375 2.141 20 0 BEADMN C/C=C(/C)C(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001499650302 988559125 /nfs/dbraw/zinc/55/91/25/988559125.db2.gz SPFXZMDRKSZUNT-HBZGRHIISA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc(CN(Cc2cccnc2)C2CC2)n[nH]1 ZINC001323758574 988606855 /nfs/dbraw/zinc/60/68/55/988606855.db2.gz DKRMNRFHWQQRSL-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)C(F)F ZINC001548718612 988662746 /nfs/dbraw/zinc/66/27/46/988662746.db2.gz WDVJPNYRLIHYKY-ZETCQYMHSA-N 0 1 245.273 2.225 20 0 BEADMN CC1CC(NCc2nn(C)cc2C(F)F)C1 ZINC001118933431 988717919 /nfs/dbraw/zinc/71/79/19/988717919.db2.gz PVEJMWMIURLNML-UHFFFAOYSA-N 0 1 229.274 2.246 20 0 BEADMN [NH3+]Cc1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001247020572 988843912 /nfs/dbraw/zinc/84/39/12/988843912.db2.gz MJBSEUXHVJNCOE-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN CCOc1ccc2nc(CN)n(C3CC3)c2c1 ZINC001247042804 988847979 /nfs/dbraw/zinc/84/79/79/988847979.db2.gz OZNKQJMYNACTSE-UHFFFAOYSA-N 0 1 231.299 2.229 20 0 BEADMN Cc1ccc2nc(CN)n(CC(C)C)c2c1 ZINC001247048448 988850269 /nfs/dbraw/zinc/85/02/69/988850269.db2.gz IKNORYXZAXBTHD-UHFFFAOYSA-N 0 1 217.316 2.459 20 0 BEADMN CC(=O)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001247381708 988867569 /nfs/dbraw/zinc/86/75/69/988867569.db2.gz QFXSZBGOPZDZOC-UHFFFAOYSA-N 0 1 245.282 2.001 20 0 BEADMN C1=CC[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001119260704 988869670 /nfs/dbraw/zinc/86/96/70/988869670.db2.gz IOENXBJMLZTURC-TXEJJXNPSA-N 0 1 245.326 2.345 20 0 BEADMN CNCc1nc(-c2ccc(C)cc2Cl)no1 ZINC001247431216 988885462 /nfs/dbraw/zinc/88/54/62/988885462.db2.gz CYRXTLVZVMMLIE-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CNCc1nc(-c2ccccc2OC(C)C)no1 ZINC001247431673 988886121 /nfs/dbraw/zinc/88/61/21/988886121.db2.gz LQVRYPFZWGZPEM-UHFFFAOYSA-N 0 1 247.298 2.243 20 0 BEADMN CNCc1nc(-c2cccc3c2CCCC3)no1 ZINC001247432084 988888086 /nfs/dbraw/zinc/88/80/86/988888086.db2.gz SAUTYKQCOCSULT-UHFFFAOYSA-N 0 1 243.310 2.335 20 0 BEADMN C[C@H]1c2cccn2CCN1CC1CCC(O)CC1 ZINC001324630967 988897584 /nfs/dbraw/zinc/89/75/84/988897584.db2.gz OXLLEODPXXDNGZ-HSBZDZAISA-N 0 1 248.370 2.416 20 0 BEADMN Cc1ncccc1-c1noc(C2(N)CCCC2)n1 ZINC001247502164 988899518 /nfs/dbraw/zinc/89/95/18/988899518.db2.gz XHKLSYMSEVSBCJ-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H](C)C2CCC2)n1 ZINC001324654874 988913250 /nfs/dbraw/zinc/91/32/50/988913250.db2.gz VUIWGZFGXNDDSA-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC001324654874 988913265 /nfs/dbraw/zinc/91/32/65/988913265.db2.gz VUIWGZFGXNDDSA-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CCC1(C(=O)NC[C@H]2CCCC[N@H+]2C)CCC1 ZINC001514828381 988946859 /nfs/dbraw/zinc/94/68/59/988946859.db2.gz LLMJKEUCHSPCAE-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)[C@H](C)C1 ZINC001599848441 988973599 /nfs/dbraw/zinc/97/35/99/988973599.db2.gz KXNHGNAMNCTRMX-IMSYWVGJSA-N 0 1 247.285 2.073 20 0 BEADMN Cc1nnc(SCc2ncoc2C2CC2)[nH]1 ZINC001324778757 988980373 /nfs/dbraw/zinc/98/03/73/988980373.db2.gz GKKSQNDZZUIYIV-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1n[nH]c(SCc2ncoc2C2CC2)n1 ZINC001324778757 988980376 /nfs/dbraw/zinc/98/03/76/988980376.db2.gz GKKSQNDZZUIYIV-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H]2C(C)(C)C)n[nH]1 ZINC001515112989 988990295 /nfs/dbraw/zinc/99/02/95/988990295.db2.gz FTTMBUMAUNSCQU-LLVKDONJSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H]1CC[C@@H](c2nc(-c3ccccn3)no2)NC1 ZINC001247821124 989028444 /nfs/dbraw/zinc/02/84/44/989028444.db2.gz WCFAOELRVGCRMA-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC1CCC=CCC1 ZINC001119388293 989033878 /nfs/dbraw/zinc/03/38/78/989033878.db2.gz UKKXAMBMHZNTCH-UHFFFAOYSA-N 0 1 248.326 2.275 20 0 BEADMN Cc1cccc([C@@H](C)C(=O)OCCN2CCC2)c1 ZINC001515548987 989066283 /nfs/dbraw/zinc/06/62/83/989066283.db2.gz BTKLXXFEASJOAG-CYBMUJFWSA-N 0 1 247.338 2.347 20 0 BEADMN Cc1nnc(SCCOC2CCCC2)[nH]1 ZINC001325057255 989072775 /nfs/dbraw/zinc/07/27/75/989072775.db2.gz GRDDMRFNGGQSOQ-UHFFFAOYSA-N 0 1 227.333 2.164 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCN3)n2)cc1C ZINC001248284797 989085035 /nfs/dbraw/zinc/08/50/35/989085035.db2.gz FHYCZGHJUQKZNA-LLVKDONJSA-N 0 1 229.283 2.388 20 0 BEADMN CN(C)Cc1cc(Cl)cn2ccnc12 ZINC001248431522 989104697 /nfs/dbraw/zinc/10/46/97/989104697.db2.gz ZWCFZKMHPZZBAO-UHFFFAOYSA-N 0 1 209.680 2.049 20 0 BEADMN Cc1cc(CN2CC[C@H](c3nccs3)C2)[nH]n1 ZINC001119516250 989120001 /nfs/dbraw/zinc/12/00/01/989120001.db2.gz SJUALVXQWHYTKH-JTQLQIEISA-N 0 1 248.355 2.164 20 0 BEADMN CC1(C)CCCN(CN2CC3(CC3)CC2=O)C1 ZINC001325215768 989122750 /nfs/dbraw/zinc/12/27/50/989122750.db2.gz QVJNILCJGWVACQ-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN NCc1nccnc1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001515909796 989129139 /nfs/dbraw/zinc/12/91/39/989129139.db2.gz WYBVXVJKZHALHU-MXWKQRLJSA-N 0 1 249.383 2.464 20 0 BEADMN Cc1ccc(-c2noc([C@]3(C)CCN3)n2)c(F)c1 ZINC001248722208 989135681 /nfs/dbraw/zinc/13/56/81/989135681.db2.gz UVMBUSHJPSAOOJ-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1ccc(F)c(-c2noc([C@@]3(C)CCN3)n2)c1 ZINC001248722129 989136002 /nfs/dbraw/zinc/13/60/02/989136002.db2.gz RNDOMMGAFYXUDA-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN CC[C@H](C)C[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119535952 989136897 /nfs/dbraw/zinc/13/68/97/989136897.db2.gz BXSWUNQNOLNMMV-DTWKUNHWSA-N 0 1 242.344 2.122 20 0 BEADMN Cc1ccc(-c2noc([C@]3(C)CCN3)n2)cc1 ZINC001248722346 989137126 /nfs/dbraw/zinc/13/71/26/989137126.db2.gz VSMAHJVJKKMYKM-ZDUSSCGKSA-N 0 1 229.283 2.254 20 0 BEADMN Cc1cc(F)cc(-c2noc([C@]3(C)CCN3)n2)c1 ZINC001248721994 989137903 /nfs/dbraw/zinc/13/79/03/989137903.db2.gz QRUFZFBUUDURNR-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cn[nH]c1CSCC[C@H]1CCOC1 ZINC001119539029 989142949 /nfs/dbraw/zinc/14/29/49/989142949.db2.gz LRZWTCLVHSWKCA-SNVBAGLBSA-N 0 1 226.345 2.378 20 0 BEADMN C[C@@H](NC/C=C\C1CC1)c1cc2n(n1)CCC2 ZINC001325288871 989147030 /nfs/dbraw/zinc/14/70/30/989147030.db2.gz KWRUEXUXRHWKLI-CJHWANRJSA-N 0 1 231.343 2.446 20 0 BEADMN O=C(OCCN1CCC1)C12CCC(CC1)CC2 ZINC001516531608 989156544 /nfs/dbraw/zinc/15/65/44/989156544.db2.gz SCVFFXUJNXYLHP-UHFFFAOYSA-N 0 1 237.343 2.206 20 0 BEADMN Cc1nc(C)n(C[C@@H](O)CC(F)(F)F)c1C ZINC001119560308 989165373 /nfs/dbraw/zinc/16/53/73/989165373.db2.gz PDKYCKSLXCJSSM-VIFPVBQESA-N 0 1 236.237 2.122 20 0 BEADMN Cc1ccc2nc(CN3CC[C@H]3C)[nH]c2c1 ZINC001248839427 989188461 /nfs/dbraw/zinc/18/84/61/989188461.db2.gz JENODYMHFFRKBH-SNVBAGLBSA-N 0 1 215.300 2.466 20 0 BEADMN C[C@@H]1C[C@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001325467936 989191182 /nfs/dbraw/zinc/19/11/82/989191182.db2.gz FDEJMOGSSFPBFU-FBIMIBRVSA-N 0 1 233.315 2.002 20 0 BEADMN CCCN(CC)Cc1nc(C)cc(C)n1 ZINC001248932414 989219651 /nfs/dbraw/zinc/21/96/51/989219651.db2.gz HOZIBKRFXFMOAN-UHFFFAOYSA-N 0 1 207.321 2.325 20 0 BEADMN CCCCNCc1nc(-c2ccncc2C)no1 ZINC001249025501 989237548 /nfs/dbraw/zinc/23/75/48/989237548.db2.gz HJWHKWIKADRROM-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CCNCc1nc(-c2ccccc2C(C)=O)no1 ZINC001249134124 989257253 /nfs/dbraw/zinc/25/72/53/989257253.db2.gz ZASQYSUKOMPIHG-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN CCCN(C)Cc1cnc(Br)cn1 ZINC001249489621 989295662 /nfs/dbraw/zinc/29/56/62/989295662.db2.gz XHTQDQBFMMULSI-UHFFFAOYSA-N 0 1 244.136 2.081 20 0 BEADMN CC(C)(C)c1c[nH]c(CN2CCC(O)CC2)c1 ZINC001249476367 989286992 /nfs/dbraw/zinc/28/69/92/989286992.db2.gz PJMGSFOKYRSBPX-UHFFFAOYSA-N 0 1 236.359 2.269 20 0 BEADMN CC/C(C)=C\C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001518424442 989305502 /nfs/dbraw/zinc/30/55/02/989305502.db2.gz FKOGBWWOHRUMPN-FPLPWBNLSA-N 0 1 246.270 2.360 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H]2C3)ns1 ZINC001249588517 989317267 /nfs/dbraw/zinc/31/72/67/989317267.db2.gz IJNCUAGIEJIPIG-GXSJLCMTSA-N 0 1 208.330 2.436 20 0 BEADMN Cc1c(N)c(F)ccc1Nc1ccncc1 ZINC001249629922 989326316 /nfs/dbraw/zinc/32/63/16/989326316.db2.gz MHXSXJZRLIKOOR-UHFFFAOYSA-N 0 1 217.247 2.277 20 0 BEADMN CC(C)(C)CC(C)(C)C(=O)OCc1c[nH]nn1 ZINC001518654680 989328602 /nfs/dbraw/zinc/32/86/02/989328602.db2.gz XNWJLXLDSZLOGR-UHFFFAOYSA-N 0 1 239.319 2.310 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@H](O)C1(C)C ZINC001326025273 989330631 /nfs/dbraw/zinc/33/06/31/989330631.db2.gz RIGWUZGWXKQLJR-NSHDSACASA-N 0 1 238.331 2.143 20 0 BEADMN Cn1cncc1Nc1cn(C)c2cnccc12 ZINC001249693757 989340282 /nfs/dbraw/zinc/34/02/82/989340282.db2.gz WPMNNSLMJREYNX-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001119799279 989403700 /nfs/dbraw/zinc/40/37/00/989403700.db2.gz TZTBBAMXHJBYBZ-UHFFFAOYSA-N 0 1 249.358 2.104 20 0 BEADMN CC1(C)CCCN(Cc2[nH]nc3c2COCC3)C1 ZINC001119799279 989403711 /nfs/dbraw/zinc/40/37/11/989403711.db2.gz TZTBBAMXHJBYBZ-UHFFFAOYSA-N 0 1 249.358 2.104 20 0 BEADMN Cc1ccc(F)c(CN[C@H](CO)C2CC2)c1F ZINC001119812813 989410871 /nfs/dbraw/zinc/41/08/71/989410871.db2.gz BRTGPZVCPUHAHC-GFCCVEGCSA-N 0 1 241.281 2.134 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC001603503248 989421306 /nfs/dbraw/zinc/42/13/06/989421306.db2.gz AGZOMKSKMPBVNR-VXGBXAGGSA-N 0 1 248.326 2.328 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(CF)CCC2)n1 ZINC001326202292 989421842 /nfs/dbraw/zinc/42/18/42/989421842.db2.gz NHQIDWDARBWXBI-QMMMGPOBSA-N 0 1 227.283 2.117 20 0 BEADMN CC[C@@H](C(=O)OCC1CSC1)N(CC)CC ZINC001519538255 989427888 /nfs/dbraw/zinc/42/78/88/989427888.db2.gz PBAQBKRSOKRVQH-NSHDSACASA-N 0 1 245.388 2.013 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[Si](C)(C)C ZINC001599878681 989453353 /nfs/dbraw/zinc/45/33/53/989453353.db2.gz CREFYKFVNQLBFX-NXEZZACHSA-N 0 1 229.396 2.049 20 0 BEADMN FC(F)(F)CCC[N@@H+]1CCc2cn[nH]c2C1 ZINC001119931689 989485324 /nfs/dbraw/zinc/48/53/24/989485324.db2.gz OMELBEBUZHEXBA-UHFFFAOYSA-N 0 1 233.237 2.110 20 0 BEADMN FC(F)(F)CCCN1CCc2c[nH]nc2C1 ZINC001119931689 989485338 /nfs/dbraw/zinc/48/53/38/989485338.db2.gz OMELBEBUZHEXBA-UHFFFAOYSA-N 0 1 233.237 2.110 20 0 BEADMN O=c1[nH]c2cccc(CN3CC=CCC3)c2o1 ZINC001119954718 989505948 /nfs/dbraw/zinc/50/59/48/989505948.db2.gz QIINIGDVZZMFTL-UHFFFAOYSA-N 0 1 230.267 2.295 20 0 BEADMN COc1ccc(CNC/C=C\C2CC2)o1 ZINC001120058594 989581984 /nfs/dbraw/zinc/58/19/84/989581984.db2.gz WZZANZFDCGLYDL-IHWYPQMZSA-N 0 1 207.273 2.344 20 0 BEADMN CC(C)ONC(=O)[C@H](C)c1ccccc1F ZINC001326702229 989655311 /nfs/dbraw/zinc/65/53/11/989655311.db2.gz SVHCGXZJKIHSHQ-SECBINFHSA-N 0 1 225.263 2.385 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)[nH]n1 ZINC001326790474 989713821 /nfs/dbraw/zinc/71/38/21/989713821.db2.gz GMFXKADGBXUOFH-NSHDSACASA-N 0 1 241.285 2.339 20 0 BEADMN Cc1cc(CN2CCC[C@]3(CC3(F)F)C2)[nH]n1 ZINC001326790474 989713854 /nfs/dbraw/zinc/71/38/54/989713854.db2.gz GMFXKADGBXUOFH-NSHDSACASA-N 0 1 241.285 2.339 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2CC=CCC2)c1C ZINC001521892921 989813225 /nfs/dbraw/zinc/81/32/25/989813225.db2.gz GVITZZGMXLTILI-LBPRGKRZSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1coc(C(=O)NCc2n[nH]c(C)c2C)c1C ZINC001521893273 989813655 /nfs/dbraw/zinc/81/36/55/989813655.db2.gz JWCPTGILWVTMDA-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN CC(C)c1oncc1NC(=O)c1cnco1 ZINC001120690822 989831992 /nfs/dbraw/zinc/83/19/92/989831992.db2.gz FLNMQIPFFNTWOT-UHFFFAOYSA-N 0 1 221.216 2.038 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCCSC1 ZINC001120701445 989836838 /nfs/dbraw/zinc/83/68/38/989836838.db2.gz LBYMRSHKOYSPGV-UHFFFAOYSA-N 0 1 247.323 2.100 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1(C)CC1 ZINC001120728224 989853598 /nfs/dbraw/zinc/85/35/98/989853598.db2.gz WPRIQTANWUYTSB-GHMZBOCLSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@@H](F)C(=O)Nc1ccc(F)c(F)c1O ZINC001120743503 989862750 /nfs/dbraw/zinc/86/27/50/989862750.db2.gz UDEGMJILEGCQEU-RXMQYKEDSA-N 0 1 233.189 2.357 20 0 BEADMN NCc1cc(C(=O)NC[C@@]23C[C@@H]2CCCC3)co1 ZINC001522630308 989867414 /nfs/dbraw/zinc/86/74/14/989867414.db2.gz VEUYAKSNKVALPQ-SMDDNHRTSA-N 0 1 248.326 2.048 20 0 BEADMN CCN1CCN(c2cc(F)cc(C)n2)C[C@@H]1C ZINC001120827585 989909042 /nfs/dbraw/zinc/90/90/42/989909042.db2.gz KJCKWGQLDPUSNM-NSHDSACASA-N 0 1 237.322 2.060 20 0 BEADMN Clc1ccnc(N2CCN(C3CC3)CC2)c1 ZINC001120888298 989947804 /nfs/dbraw/zinc/94/78/04/989947804.db2.gz CLMUOPBVZAOACJ-UHFFFAOYSA-N 0 1 237.734 2.019 20 0 BEADMN NCc1nccnc1NCCCc1ccsc1 ZINC001120916315 989965536 /nfs/dbraw/zinc/96/55/36/989965536.db2.gz SXESLBLEYPBJBT-UHFFFAOYSA-N 0 1 248.355 2.042 20 0 BEADMN Cc1cnc(NC(=O)c2cccc(F)c2O)o1 ZINC001524058643 989968575 /nfs/dbraw/zinc/96/85/75/989968575.db2.gz NSHCVUAMULYEBE-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN Nc1nccc(NCCC[C@@H]2C=CCC2)n1 ZINC001120954327 989987068 /nfs/dbraw/zinc/98/70/68/989987068.db2.gz WIWDOSUOZXTMRO-SNVBAGLBSA-N 0 1 218.304 2.217 20 0 BEADMN CC1=C(C)C[C@@](C)(C(=O)OCc2c[nH]nn2)CC1 ZINC001525526816 990057195 /nfs/dbraw/zinc/05/71/95/990057195.db2.gz JQUAYYGDZRHIAG-ZDUSSCGKSA-N 0 1 249.314 2.375 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001526024809 990105699 /nfs/dbraw/zinc/10/56/99/990105699.db2.gz OQAJVBGZKKRKJA-MXWKQRLJSA-N 0 1 234.299 2.311 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1nnc[nH]1 ZINC001526292684 990123010 /nfs/dbraw/zinc/12/30/10/990123010.db2.gz JZGYTUNHVWNWHD-CHWFTXMASA-N 0 1 249.314 2.235 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1ccoc1 ZINC001527033420 990203875 /nfs/dbraw/zinc/20/38/75/990203875.db2.gz LBFXODGXVLKUEO-MRVPVSSYSA-N 0 1 220.228 2.229 20 0 BEADMN CC(C)(CNC(=O)[C@@H](N)c1ccccc1)C1CC1 ZINC001122267944 990314290 /nfs/dbraw/zinc/31/42/90/990314290.db2.gz RUXXLMPZNMUZKR-ZDUSSCGKSA-N 0 1 246.354 2.239 20 0 BEADMN Cc1conc1NC(=O)c1cccc(F)c1O ZINC001532005338 990402747 /nfs/dbraw/zinc/40/27/47/990402747.db2.gz MDYGUVBQEUYIOK-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)O[C@H]3C=CCC3)c2C1 ZINC001122738008 990441191 /nfs/dbraw/zinc/44/11/91/990441191.db2.gz OYRCADNJZHRBJG-ZJUUUORDSA-N 0 1 246.310 2.410 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)O[C@H]3C=CCC3)c2C1 ZINC001122738006 990441643 /nfs/dbraw/zinc/44/16/43/990441643.db2.gz OYRCADNJZHRBJG-UWVGGRQHSA-N 0 1 246.310 2.410 20 0 BEADMN CC[C@@H](OC(=O)c1[nH]cnc1C)c1ccncc1 ZINC001122974693 990478080 /nfs/dbraw/zinc/47/80/80/990478080.db2.gz GEDKWUCSIGCJHL-LLVKDONJSA-N 0 1 245.282 2.421 20 0 BEADMN C[C@H](OC(=O)CC(C1CC1)C1CC1)c1nnc[nH]1 ZINC001123100778 990508826 /nfs/dbraw/zinc/50/88/26/990508826.db2.gz ZAQSXAJYGBDQJB-QMMMGPOBSA-N 0 1 249.314 2.235 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC001538551760 990534835 /nfs/dbraw/zinc/53/48/35/990534835.db2.gz JLFZYTMSCYKSQS-GWCFXTLKSA-N 0 1 249.358 2.346 20 0 BEADMN O=C(NCCc1ccoc1)c1cccc(F)c1O ZINC001539269537 990566994 /nfs/dbraw/zinc/56/69/94/990566994.db2.gz KSFIHCQOMVLCQD-UHFFFAOYSA-N 0 1 249.241 2.097 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001540670010 990636276 /nfs/dbraw/zinc/63/62/76/990636276.db2.gz RMEIQZOWICXURG-MRVPVSSYSA-N 0 1 227.283 2.103 20 0 BEADMN CCC(C)(C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001540705179 990641769 /nfs/dbraw/zinc/64/17/69/990641769.db2.gz OHONYDKYUFYNRS-VIFPVBQESA-N 0 1 249.358 2.453 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001608575115 990654751 /nfs/dbraw/zinc/65/47/51/990654751.db2.gz DCHRETNFIGXTGX-OCCSQVGLSA-N 0 1 249.285 2.173 20 0 BEADMN Cc1nc[nH]c1C(=O)N(C)c1cccc(C)c1 ZINC001542815297 990673018 /nfs/dbraw/zinc/67/30/18/990673018.db2.gz HJFAZQGHLXWSLH-UHFFFAOYSA-N 0 1 229.283 2.303 20 0 BEADMN CC(C)CCNC(=O)c1cccc(F)c1O ZINC001124424528 990787240 /nfs/dbraw/zinc/78/72/40/990787240.db2.gz XTQRHUUCSMCJCH-UHFFFAOYSA-N 0 1 225.263 2.307 20 0 BEADMN CN(Cc1cc(F)c(F)cc1F)CC1COC1 ZINC001137891371 990866196 /nfs/dbraw/zinc/86/61/96/990866196.db2.gz MSJOLSDEOSFGGX-UHFFFAOYSA-N 0 1 245.244 2.182 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cccc(C)c1O ZINC001137935033 990869666 /nfs/dbraw/zinc/86/96/66/990869666.db2.gz BMLZNTLLSYPXNL-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CN(Cc1ccc(F)c(F)c1F)CC1COC1 ZINC001137940131 990870187 /nfs/dbraw/zinc/87/01/87/990870187.db2.gz IMYKZQHEHNGHHE-UHFFFAOYSA-N 0 1 245.244 2.182 20 0 BEADMN CCN(C)Cc1cccc2c1OC(F)(F)O2 ZINC001138063998 990879972 /nfs/dbraw/zinc/87/99/72/990879972.db2.gz QIMLHOANHWFCJL-UHFFFAOYSA-N 0 1 229.226 2.460 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1cc(F)cc2nc[nH]c21 ZINC001557400674 990888855 /nfs/dbraw/zinc/88/88/55/990888855.db2.gz UCMZURYNKGRRKM-SECBINFHSA-N 0 1 245.257 2.150 20 0 BEADMN CCN(Cc1cccs1)Cc1cnc(N)nc1 ZINC001138167804 990896516 /nfs/dbraw/zinc/89/65/16/990896516.db2.gz JDEDPNWOSUFVDH-UHFFFAOYSA-N 0 1 248.355 2.142 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1ccc(O)c(C)c1 ZINC001557899537 990915695 /nfs/dbraw/zinc/91/56/95/990915695.db2.gz QXNGHUJBPLJPHU-UHFFFAOYSA-N 0 1 245.282 2.009 20 0 BEADMN Oc1cc(O)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001138328423 990916791 /nfs/dbraw/zinc/91/67/91/990916791.db2.gz JKJBNJCRUTUSFA-OUJBWJOFSA-N 0 1 237.274 2.030 20 0 BEADMN Oc1cc(O)cc(CN2CCC3(CC3)C2)c1 ZINC001138325414 990917601 /nfs/dbraw/zinc/91/76/01/990917601.db2.gz NJBPSULDMAVANI-UHFFFAOYSA-N 0 1 219.284 2.084 20 0 BEADMN CC1(F)CCN(Cc2cc(O)cc(O)c2)CC1 ZINC001138324515 990918972 /nfs/dbraw/zinc/91/89/72/990918972.db2.gz QQCVOCKNDBKRSV-UHFFFAOYSA-N 0 1 239.290 2.422 20 0 BEADMN COCCN(C)Cc1cc(F)c(OC)c(F)c1 ZINC001138420868 990943143 /nfs/dbraw/zinc/94/31/43/990943143.db2.gz SICGTUYJKJHEBW-UHFFFAOYSA-N 0 1 245.269 2.052 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]1C ZINC001138451240 990947961 /nfs/dbraw/zinc/94/79/61/990947961.db2.gz AWYDFACGXJGTJL-WRWGMCAJSA-N 0 1 247.342 2.160 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC001558497329 990950061 /nfs/dbraw/zinc/95/00/61/990950061.db2.gz KDSKOXBRNUFTEC-CMPLNLGQSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)C[C@@H](C)C[C@@H](C)N1CCO[C@@H](CO)C1 ZINC001258062684 990955908 /nfs/dbraw/zinc/95/59/08/990955908.db2.gz LFLTUSBUQNSEAH-MGPQQGTHSA-N 0 1 243.391 2.140 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CCO[C@H](CO)C1 ZINC001258062686 990956105 /nfs/dbraw/zinc/95/61/05/990956105.db2.gz LFLTUSBUQNSEAH-MJBXVCDLSA-N 0 1 243.391 2.140 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@@H]2CC)[nH]1 ZINC001558497570 990956202 /nfs/dbraw/zinc/95/62/02/990956202.db2.gz UPCQXMBWDORVMU-CMPLNLGQSA-N 0 1 249.358 2.415 20 0 BEADMN COc1ccc(C)cc1CN1CC=CC1 ZINC001138485241 990958452 /nfs/dbraw/zinc/95/84/52/990958452.db2.gz LXRCOZAPBMOPJQ-UHFFFAOYSA-N 0 1 203.285 2.375 20 0 BEADMN CC(C)C[C@@H](C)C[C@@H](C)N1CCN(C)C(=O)C1 ZINC001258065183 990962663 /nfs/dbraw/zinc/96/26/63/990962663.db2.gz UUNMRCODJWUNAP-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001558560157 990965809 /nfs/dbraw/zinc/96/58/09/990965809.db2.gz FNPNKDYTMDGZCW-UHFFFAOYSA-N 0 1 223.320 2.340 20 0 BEADMN CCCc1ccc(CN2CC(CO)C2)s1 ZINC001138525921 990970185 /nfs/dbraw/zinc/97/01/85/990970185.db2.gz MNPUUWTXOAAVCD-UHFFFAOYSA-N 0 1 225.357 2.125 20 0 BEADMN C[C@H](NCc1cc2cccnc2o1)c1cn[nH]c1 ZINC001308356286 990972120 /nfs/dbraw/zinc/97/21/20/990972120.db2.gz CYEIBQQMYWXTLP-VIFPVBQESA-N 0 1 242.282 2.402 20 0 BEADMN C/C=C(\C)C(=O)Nc1ccc2cncn2c1 ZINC001558590615 990973992 /nfs/dbraw/zinc/97/39/92/990973992.db2.gz TTZZEUNVHMBCBE-YCRREMRBSA-N 0 1 215.256 2.239 20 0 BEADMN C[C@@H]1CCN1Cc1cnn(-c2ccccc2)c1 ZINC001138599849 990978633 /nfs/dbraw/zinc/97/86/33/990978633.db2.gz LVFJDWPHVTXULS-GFCCVEGCSA-N 0 1 227.311 2.467 20 0 BEADMN CC(C)=CCC[C@@H](C)n1c(C)nnc1CN ZINC001258085638 990986016 /nfs/dbraw/zinc/98/60/16/990986016.db2.gz LBTOGRBFAVMOLG-SNVBAGLBSA-N 0 1 222.336 2.353 20 0 BEADMN CCCn1ncc(CN2CC(C)C2)c1C ZINC001138637645 990989180 /nfs/dbraw/zinc/98/91/80/990989180.db2.gz RWDODAHEVQEWTK-UHFFFAOYSA-N 0 1 207.321 2.053 20 0 BEADMN CCSc1ncc(CN2CC[C@H](C)C2)cn1 ZINC001138650612 990997787 /nfs/dbraw/zinc/99/77/87/990997787.db2.gz ZBFWUISMYXXKBL-JTQLQIEISA-N 0 1 237.372 2.430 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCn2nncc2C1 ZINC001258096902 991008009 /nfs/dbraw/zinc/00/80/09/991008009.db2.gz XJPLCQGDQFTNRS-GFCCVEGCSA-N 0 1 234.347 2.229 20 0 BEADMN Cc1ccc2[nH]c(NCc3cn(C)cn3)nc2c1 ZINC001308501542 991009881 /nfs/dbraw/zinc/00/98/81/991009881.db2.gz OCWPIRTYUPDORG-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CSc1ncc(CN2CCC(C)(C)C2)cn1 ZINC001138705396 991013577 /nfs/dbraw/zinc/01/35/77/991013577.db2.gz OETUFVXWWJYHCE-UHFFFAOYSA-N 0 1 237.372 2.430 20 0 BEADMN Cc1cccnc1[C@@H](C)NCc1ccc(=O)[nH]c1 ZINC001308549665 991031358 /nfs/dbraw/zinc/03/13/58/991031358.db2.gz NURXQAVXXXSECY-LLVKDONJSA-N 0 1 243.310 2.341 20 0 BEADMN C[C@@H]1CCN(Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138776384 991040171 /nfs/dbraw/zinc/04/01/71/991040171.db2.gz SPRBENUDFGFBTM-TZMCWYRMSA-N 0 1 249.358 2.424 20 0 BEADMN Fc1ncccc1CN1CCC2(CC2)C1 ZINC001138783469 991045275 /nfs/dbraw/zinc/04/52/75/991045275.db2.gz RMMBVEPEUVJXPD-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN C[C@H]1C[C@H](N2CCNCC(F)(F)C2)C[C@@H](C)C1 ZINC001258160174 991046923 /nfs/dbraw/zinc/04/69/23/991046923.db2.gz QNEZQOIUVWMRGC-GDNZZTSVSA-N 0 1 246.345 2.352 20 0 BEADMN CO[C@H]1CCN(Cc2cccnc2F)[C@H](C)C1 ZINC001138791410 991052123 /nfs/dbraw/zinc/05/21/23/991052123.db2.gz CLTWMYPUBBOQJL-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CNc1ccccc1CN1CCc2cn[nH]c2C1 ZINC001308608235 991059035 /nfs/dbraw/zinc/05/90/35/991059035.db2.gz COFCOCWDIQTBKB-UHFFFAOYSA-N 0 1 242.326 2.010 20 0 BEADMN FC1CCN(Cc2cccc3ccnn32)CC1 ZINC001138804842 991063595 /nfs/dbraw/zinc/06/35/95/991063595.db2.gz YNARGJAPMJFKHZ-UHFFFAOYSA-N 0 1 233.290 2.268 20 0 BEADMN C[C@H](Cc1ccco1)N1CC(C(F)F)C1 ZINC001258198238 991098927 /nfs/dbraw/zinc/09/89/27/991098927.db2.gz XOXIYYXACYVFNF-MRVPVSSYSA-N 0 1 215.243 2.408 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CC(F)C3)CC2)n1 ZINC001138936252 991106047 /nfs/dbraw/zinc/10/60/47/991106047.db2.gz GEJMEYHQRJHMDS-UHFFFAOYSA-N 0 1 237.322 2.432 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C)C[C@@H]2C)n1 ZINC001138940205 991108206 /nfs/dbraw/zinc/10/82/06/991108206.db2.gz ANOVIIJKWBXUTK-ONGXEEELSA-N 0 1 207.321 2.339 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1nc(C)c[nH]1 ZINC001138940733 991109836 /nfs/dbraw/zinc/10/98/36/991109836.db2.gz RSANQSVRAUAORC-LLVKDONJSA-N 0 1 237.347 2.108 20 0 BEADMN O[C@@H]1CN(Cc2cc3ccccc3o2)CC[C@H]1F ZINC001139062508 991135966 /nfs/dbraw/zinc/13/59/66/991135966.db2.gz ZIGFFFPOZMKDLO-CHWSQXEVSA-N 0 1 249.285 2.338 20 0 BEADMN CSCC[C@H](C)N1CCn2cccc2C1 ZINC001258220432 991144817 /nfs/dbraw/zinc/14/48/17/991144817.db2.gz SVGDLYCRSYTBJL-NSHDSACASA-N 0 1 224.373 2.445 20 0 BEADMN c1cnc2cc(CN3CC4(COC4)C3)ccc2c1 ZINC001139164734 991170277 /nfs/dbraw/zinc/17/02/77/991170277.db2.gz ONELZHOGDONTTB-UHFFFAOYSA-N 0 1 240.306 2.067 20 0 BEADMN CC(=O)OC1CN(C2CCCCCCC2)C1 ZINC001258241185 991184537 /nfs/dbraw/zinc/18/45/37/991184537.db2.gz ZWOVRJHBOMXRBB-UHFFFAOYSA-N 0 1 225.332 2.347 20 0 BEADMN c1nnn2c1CN(C1CCCCCCC1)CC2 ZINC001258243093 991189989 /nfs/dbraw/zinc/18/99/89/991189989.db2.gz GBUOOTXRURTUIT-UHFFFAOYSA-N 0 1 234.347 2.207 20 0 BEADMN Nc1ncc(CN2CCC[C@H](C(F)F)C2)s1 ZINC001139227625 991202607 /nfs/dbraw/zinc/20/26/07/991202607.db2.gz MSEFPIRWJDBLNU-ZETCQYMHSA-N 0 1 247.314 2.202 20 0 BEADMN CC1(C)CCC[C@H](Nc2nccnc2CN)C1 ZINC001258278247 991203486 /nfs/dbraw/zinc/20/34/86/991203486.db2.gz TYGSDHUGFNHWEX-JTQLQIEISA-N 0 1 234.347 2.316 20 0 BEADMN CC1(C)CCC[C@@H](N2CCNCC(F)(F)C2)C1 ZINC001258285442 991220490 /nfs/dbraw/zinc/22/04/90/991220490.db2.gz LYPTYNIFTAKUPI-LLVKDONJSA-N 0 1 246.345 2.496 20 0 BEADMN C(N[C@H]1C[C@@H]2CCC[C@@H]21)c1noc2c1COCC2 ZINC001308952008 991230821 /nfs/dbraw/zinc/23/08/21/991230821.db2.gz MIUIXMOJSHHXAG-NHCYSSNCSA-N 0 1 248.326 2.026 20 0 BEADMN OC[C@H](NCCC1CCCCC1)c1ncc[nH]1 ZINC001308954461 991232158 /nfs/dbraw/zinc/23/21/58/991232158.db2.gz IXYJRJPWVMTYQB-LBPRGKRZSA-N 0 1 237.347 2.003 20 0 BEADMN CCCCN(CCC)[C@H](COC)C(=O)OCC ZINC001559749376 991237720 /nfs/dbraw/zinc/23/77/20/991237720.db2.gz OKBJEDDJJFYONG-GFCCVEGCSA-N 0 1 245.363 2.077 20 0 BEADMN Cc1ncc(CNCC2(Br)CC2)o1 ZINC001308964888 991240394 /nfs/dbraw/zinc/24/03/94/991240394.db2.gz DYKLQABLYSKFGT-UHFFFAOYSA-N 0 1 245.120 2.000 20 0 BEADMN CSC(C)(C)C[C@@H](C)NCc1ncccn1 ZINC001258320135 991244313 /nfs/dbraw/zinc/24/43/13/991244313.db2.gz LZTOZQPZEAJWKF-SNVBAGLBSA-N 0 1 239.388 2.486 20 0 BEADMN Cc1ncccc1CN(C)Cc1ccc(=O)[nH]c1 ZINC001139469288 991252263 /nfs/dbraw/zinc/25/22/63/991252263.db2.gz ONPWEGOFYCMLPA-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CSC(C)(C)C[C@H](C)n1c(C)nnc1CN ZINC001258332898 991254441 /nfs/dbraw/zinc/25/44/41/991254441.db2.gz ZUDKLFGLODUMFK-QMMMGPOBSA-N 0 1 242.392 2.138 20 0 BEADMN C=C/C=C\CCN1CCN(CC)C(=O)C1(C)C ZINC001559779103 991259114 /nfs/dbraw/zinc/25/91/14/991259114.db2.gz KURBILVMPDZIFJ-FPLPWBNLSA-N 0 1 236.359 2.061 20 0 BEADMN CCc1ccc(CCN2CC(O)(C(C)C)C2)cc1 ZINC001559806511 991266017 /nfs/dbraw/zinc/26/60/17/991266017.db2.gz YOENMIYXRWHCKQ-UHFFFAOYSA-N 0 1 247.382 2.494 20 0 BEADMN CC(C)c1ocnc1CN[C@@](C)(CO)C(C)C ZINC001559813341 991266802 /nfs/dbraw/zinc/26/68/02/991266802.db2.gz CQKOGODGYRNNOS-ZDUSSCGKSA-N 0 1 240.347 2.295 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H](C)CC(C)(C)SC ZINC001258341783 991268442 /nfs/dbraw/zinc/26/84/42/991268442.db2.gz NWBSCQNYXZQCPY-UWVGGRQHSA-N 0 1 247.404 2.400 20 0 BEADMN Fc1cccc2nc(CN3CCC[C@@H]4C[C@@H]43)cn21 ZINC001139572712 991279485 /nfs/dbraw/zinc/27/94/85/991279485.db2.gz ZFACROUOSFEBAQ-PWSUYJOCSA-N 0 1 245.301 2.458 20 0 BEADMN CCOc1ccncc1CN1CCC[C@@H]1C ZINC001139627388 991302098 /nfs/dbraw/zinc/30/20/98/991302098.db2.gz PIQICQSXUGZDGH-NSHDSACASA-N 0 1 220.316 2.465 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3ccncc3n2)CC1 ZINC001139694094 991316830 /nfs/dbraw/zinc/31/68/30/991316830.db2.gz AYDOGOGGHSQPBH-GFCCVEGCSA-N 0 1 244.342 2.351 20 0 BEADMN C[C@@H]1CCCCN1Cc1cn2ccncc2n1 ZINC001139692706 991318338 /nfs/dbraw/zinc/31/83/38/991318338.db2.gz GFIFUWXXIKEDDB-LLVKDONJSA-N 0 1 230.315 2.104 20 0 BEADMN C[C@@H]1CCN(Cc2cn3ccncc3n2)[C@@H](C)C1 ZINC001139696436 991322838 /nfs/dbraw/zinc/32/28/38/991322838.db2.gz LLQWBJRBRLTLHK-NEPJUHHUSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cn3ccncc3n2)C1 ZINC001139699438 991327041 /nfs/dbraw/zinc/32/70/41/991327041.db2.gz YUFOHNRUPGFHQR-RYUDHWBXSA-N 0 1 244.342 2.207 20 0 BEADMN Cc1cc(O)cc(C)c1CN1CCCC12COC2 ZINC001139714317 991337839 /nfs/dbraw/zinc/33/78/39/991337839.db2.gz XNAHQBCUCGUSRY-UHFFFAOYSA-N 0 1 247.338 2.374 20 0 BEADMN C[C@H]1CCCCN1Cc1cnc2c(c1)OCCO2 ZINC001139730703 991346658 /nfs/dbraw/zinc/34/66/58/991346658.db2.gz IYBCEBHFMSNLAF-NSHDSACASA-N 0 1 248.326 2.227 20 0 BEADMN Cc1cnc(CN2CCC3(COC3)CC2)s1 ZINC001139808672 991371895 /nfs/dbraw/zinc/37/18/95/991371895.db2.gz BDZNDHROHKWUHJ-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1cnc(CN2CC[C@H]3OCC[C@@H]3C2)s1 ZINC001139813719 991376927 /nfs/dbraw/zinc/37/69/27/991376927.db2.gz LJABSKSTPPRNJC-GHMZBOCLSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)nc1 ZINC001139839914 991399122 /nfs/dbraw/zinc/39/91/22/991399122.db2.gz ZXTUWYXXXVZLGN-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN FC(F)(F)CCN1CC[C@H](c2cnccn2)C1 ZINC001560177558 991402874 /nfs/dbraw/zinc/40/28/74/991402874.db2.gz XVUCYWWJQDGSNE-VIFPVBQESA-N 0 1 245.248 2.218 20 0 BEADMN C[C@@H](CC1CC1)NC1(c2ncccn2)CC1 ZINC001258453570 991403396 /nfs/dbraw/zinc/40/33/96/991403396.db2.gz CMHLDOKHVLNVII-JTQLQIEISA-N 0 1 217.316 2.244 20 0 BEADMN C[C@H](CC1CC1)N(C)CC(=O)OC(C)(C)C ZINC001258460744 991419089 /nfs/dbraw/zinc/41/90/89/991419089.db2.gz GNGKIUUSSAHNGD-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1ccc(CN2CC3(CCC3)C2)cn1 ZINC001139929277 991422718 /nfs/dbraw/zinc/42/27/18/991422718.db2.gz UMFRJYAKZXIKJS-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)cn1 ZINC001139929351 991422849 /nfs/dbraw/zinc/42/28/49/991422849.db2.gz XLPREIXDVUINLG-LSDHHAIUSA-N 0 1 246.354 2.391 20 0 BEADMN O=c1oc2ccc(CNCc3ccoc3)cc2o1 ZINC001560285054 991447658 /nfs/dbraw/zinc/44/76/58/991447658.db2.gz AFNOVWFPDXJCJV-UHFFFAOYSA-N 0 1 245.234 2.269 20 0 BEADMN CCn1ccc(CNCCOCCC(C)C)n1 ZINC001560298102 991450945 /nfs/dbraw/zinc/45/09/45/991450945.db2.gz SXAIHWZEGXHEIN-UHFFFAOYSA-N 0 1 239.363 2.055 20 0 BEADMN Cn1cc(Cl)c(CNCCC2(C)CC2)n1 ZINC001560463622 991476785 /nfs/dbraw/zinc/47/67/85/991476785.db2.gz YNNVLYOPHWLUAR-UHFFFAOYSA-N 0 1 227.739 2.353 20 0 BEADMN CSc1nccc(CN2C[C@H]3CC[C@@H]2C3)n1 ZINC001140035043 991489535 /nfs/dbraw/zinc/48/95/35/991489535.db2.gz DZMAFYATOHXGQE-GXSJLCMTSA-N 0 1 235.356 2.183 20 0 BEADMN CSc1nccc(CN2CCC3(CC3)C2)n1 ZINC001140034375 991490084 /nfs/dbraw/zinc/49/00/84/991490084.db2.gz LEJXGQWFZVMXDK-UHFFFAOYSA-N 0 1 235.356 2.184 20 0 BEADMN CC(C)N(CCCO)Cc1cc(O)ccc1F ZINC001140048996 991496758 /nfs/dbraw/zinc/49/67/58/991496758.db2.gz UDXIOFNHRAUNKE-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN COc1ccc2n[nH]c(CN3CC(C)C3)c2c1 ZINC001140065684 991512955 /nfs/dbraw/zinc/51/29/55/991512955.db2.gz KGDKCNROMLTSSY-UHFFFAOYSA-N 0 1 231.299 2.023 20 0 BEADMN Cc1ncc(CNC[C@@H]2OCc3ccccc32)o1 ZINC001560620976 991523597 /nfs/dbraw/zinc/52/35/97/991523597.db2.gz RQNUYSVPDFQHNM-AWEZNQCLSA-N 0 1 244.294 2.344 20 0 BEADMN CSCCN(C)Cc1ccc(O)cc1F ZINC001140130216 991530998 /nfs/dbraw/zinc/53/09/98/991530998.db2.gz WFJGCEYKOBVBST-UHFFFAOYSA-N 0 1 229.320 2.326 20 0 BEADMN CCN(Cc1ccc(C)c(OC)c1)C1CN(C)C1 ZINC001140161733 991546231 /nfs/dbraw/zinc/54/62/31/991546231.db2.gz AMLGYKBSDVMMRG-UHFFFAOYSA-N 0 1 248.370 2.140 20 0 BEADMN COc1ccsc1C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC001599722704 991567208 /nfs/dbraw/zinc/56/72/08/991567208.db2.gz WVDZSSXEQUAGGB-UHFFFAOYSA-N 0 1 243.328 2.052 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCOCC12CCC2 ZINC001258629519 991568498 /nfs/dbraw/zinc/56/84/98/991568498.db2.gz CDZWZTVUZPNQKJ-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCOC[C@H]1C1CC1 ZINC001258635151 991577619 /nfs/dbraw/zinc/57/76/19/991577619.db2.gz XPVCFSOBUMOQBW-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN CCC[N@H+](Cc1ccncc1[O-])CC1CC1 ZINC001140275450 991581872 /nfs/dbraw/zinc/58/18/72/991581872.db2.gz PIXPKYLVHCQLRI-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CCN(Cc1ccccc1F)C(=O)c1ccn[nH]1 ZINC001317901739 991594574 /nfs/dbraw/zinc/59/45/74/991594574.db2.gz ZSUPGNZXEGBMCZ-UHFFFAOYSA-N 0 1 247.273 2.211 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccncc2[O-])[C@H]1C ZINC001140277813 991595987 /nfs/dbraw/zinc/59/59/87/991595987.db2.gz MXJGASDWGIIUHW-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCSCC3)c2c1 ZINC001140329522 991611758 /nfs/dbraw/zinc/61/17/58/991611758.db2.gz ZRFCJVWLBYFODT-UHFFFAOYSA-N 0 1 247.367 2.420 20 0 BEADMN CCCn1cncc1CN1C[C@@H](C)[C@H]1C ZINC001560857259 991624372 /nfs/dbraw/zinc/62/43/72/991624372.db2.gz YYFUMUGNYOODFN-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN Fc1cnccc1CNC/C=C/C1CC1 ZINC001560857838 991628864 /nfs/dbraw/zinc/62/88/64/991628864.db2.gz GVFMMCYPXRXZLS-OWOJBTEDSA-N 0 1 206.264 2.277 20 0 BEADMN COC1CN(CC2(OC)CCCCCC2)C1 ZINC001560874894 991631790 /nfs/dbraw/zinc/63/17/90/991631790.db2.gz RSBCUPXEAXGCBR-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN Nc1ncccc1CN1CC(C2CCCC2)C1 ZINC001560876577 991636414 /nfs/dbraw/zinc/63/64/14/991636414.db2.gz QAKFBHJLXRUYQI-UHFFFAOYSA-N 0 1 231.343 2.286 20 0 BEADMN CCOc1cc(C)c(Nc2cncn2C)cn1 ZINC001203042138 991654480 /nfs/dbraw/zinc/65/44/80/991654480.db2.gz QSOWMMCDGXGYCL-UHFFFAOYSA-N 0 1 232.287 2.266 20 0 BEADMN CC[N@@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)C1CC1 ZINC001140493994 991654765 /nfs/dbraw/zinc/65/47/65/991654765.db2.gz ROZZFJQJYCGSMW-UHFFFAOYSA-N 0 1 236.315 2.314 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140498611 991655108 /nfs/dbraw/zinc/65/51/08/991655108.db2.gz CGOWIXXYTOSQQN-WCFLWFBJSA-N 0 1 249.285 2.175 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001140498063 991655631 /nfs/dbraw/zinc/65/56/31/991655631.db2.gz HJEQMCSEXPPTAY-MWLCHTKSSA-N 0 1 237.274 2.317 20 0 BEADMN C[C@@H]1CCN1Cc1ccnn1-c1ccccc1 ZINC001140526617 991658701 /nfs/dbraw/zinc/65/87/01/991658701.db2.gz ZFIIQERWECEQEP-GFCCVEGCSA-N 0 1 227.311 2.467 20 0 BEADMN C[C@H]1CCN1Cc1ccnn1-c1ccccc1 ZINC001140526618 991659094 /nfs/dbraw/zinc/65/90/94/991659094.db2.gz ZFIIQERWECEQEP-LBPRGKRZSA-N 0 1 227.311 2.467 20 0 BEADMN C[C@]1(CN2CCn3cccc3C2)CCCCO1 ZINC001561002700 991685139 /nfs/dbraw/zinc/68/51/39/991685139.db2.gz XVRKQSIQIPWFRN-CQSZACIVSA-N 0 1 234.343 2.263 20 0 BEADMN CCCC[C@@H](CCC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258753232 991698626 /nfs/dbraw/zinc/69/86/26/991698626.db2.gz WRSRZBDHDLGFJY-SCZZXKLOSA-N 0 1 244.360 2.244 20 0 BEADMN CCC1(C(=O)Nc2nc(C(C)C)n[nH]2)CC1 ZINC001318935288 991741668 /nfs/dbraw/zinc/74/16/68/991741668.db2.gz IWFVZXLCNMGIAK-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CCC1(C(=O)Nc2n[nH]c(C(C)C)n2)CC1 ZINC001318935288 991741679 /nfs/dbraw/zinc/74/16/79/991741679.db2.gz IWFVZXLCNMGIAK-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CCCCN(C)C(=O)c1cnc(C(C)C)[nH]1 ZINC001318945679 991744492 /nfs/dbraw/zinc/74/44/92/991744492.db2.gz RWERCJBLUXOONU-UHFFFAOYSA-N 0 1 223.320 2.405 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)N1CC(C)(C)C1(C)C ZINC001318971622 991754322 /nfs/dbraw/zinc/75/43/22/991754322.db2.gz OGIGJAIGYYFUQQ-MNOVXSKESA-N 0 1 240.391 2.410 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N(C)CC(=O)OC ZINC001258796443 991789043 /nfs/dbraw/zinc/78/90/43/991789043.db2.gz BYRTYLGFUOYCJY-WDEREUQCSA-N 0 1 215.337 2.306 20 0 BEADMN CCC=C(F)C(=O)NCc1nc2ccccc2[nH]1 ZINC001565583228 991791320 /nfs/dbraw/zinc/79/13/20/991791320.db2.gz BQAVPCFDTDDRAO-WEVVVXLNSA-N 0 1 247.273 2.443 20 0 BEADMN C[C@H]1CCC[C@H](N[C@H]2CCSC2=O)C1 ZINC001258807199 991793491 /nfs/dbraw/zinc/79/34/91/991793491.db2.gz FTMZMGBIWSBOQA-GUBZILKMSA-N 0 1 213.346 2.187 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)N1CCn2nncc2C1 ZINC001258798124 991793759 /nfs/dbraw/zinc/79/37/59/991793759.db2.gz QWJGRRSMZMROBX-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H]1CCC[C@H](N[C@H]2CCSC2=O)C1 ZINC001258807201 991800942 /nfs/dbraw/zinc/80/09/42/991800942.db2.gz FTMZMGBIWSBOQA-UTLUCORTSA-N 0 1 213.346 2.187 20 0 BEADMN CCCC(C)(C)C(=O)N(C)C[C@@H]1CCN1CC ZINC001565825828 991810022 /nfs/dbraw/zinc/81/00/22/991810022.db2.gz ZTCXIOXHYCGDNC-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccsc2)[nH]1 ZINC001565960423 991818909 /nfs/dbraw/zinc/81/89/09/991818909.db2.gz KWYMIPAIQKEIRT-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN Cc1cc(CNC(=O)c2c(C)cccc2F)n[nH]1 ZINC001319211689 991819226 /nfs/dbraw/zinc/81/92/26/991819226.db2.gz YILXQGKSWYAHPT-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN COCc1nn([C@H]2CCC[C@H](C)C2)c2c1CNC2 ZINC001258818682 991836071 /nfs/dbraw/zinc/83/60/71/991836071.db2.gz AHWNCEBISBKKJJ-QWRGUYRKSA-N 0 1 249.358 2.384 20 0 BEADMN CC(C)C(C)(C)C(=O)NCCCN(C)CCF ZINC001566458094 991852293 /nfs/dbraw/zinc/85/22/93/991852293.db2.gz KJILXDLIKOWWAS-UHFFFAOYSA-N 0 1 246.370 2.076 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CCC12COC2 ZINC001258849347 991878199 /nfs/dbraw/zinc/87/81/99/991878199.db2.gz OTPYTIIAEAZLOP-CQSZACIVSA-N 0 1 231.339 2.482 20 0 BEADMN C[N@@H+](CC1=CCCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001598446822 991881973 /nfs/dbraw/zinc/88/19/73/991881973.db2.gz IRRDRWSSKXQEFL-UHFFFAOYSA-N 0 1 246.310 2.322 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CCN(C#N)CC1 ZINC001258851185 991884759 /nfs/dbraw/zinc/88/47/59/991884759.db2.gz FTEGSRADBOZQTH-OAHLLOKOSA-N 0 1 243.354 2.106 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1ccccc1OC ZINC001258884622 991887452 /nfs/dbraw/zinc/88/74/52/991887452.db2.gz WSUUADRTEZVVTD-ZDUSSCGKSA-N 0 1 249.378 2.111 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccccc1OC ZINC001258884622 991887456 /nfs/dbraw/zinc/88/74/56/991887456.db2.gz WSUUADRTEZVVTD-ZDUSSCGKSA-N 0 1 249.378 2.111 20 0 BEADMN COc1ccccc1C[C@@H](C)N1C=C(N)C=CC1 ZINC001258884177 991887924 /nfs/dbraw/zinc/88/79/24/991887924.db2.gz TZHVCNDYXBBUPT-GFCCVEGCSA-N 0 1 244.338 2.298 20 0 BEADMN COc1ccccc1C[C@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001258893030 991890137 /nfs/dbraw/zinc/89/01/37/991890137.db2.gz WWUKARCXLCBANN-UBHSHLNASA-N 0 1 247.338 2.099 20 0 BEADMN COc1ccccc1C[C@H](C)N(C)C1(C)COC1 ZINC001258894480 991890866 /nfs/dbraw/zinc/89/08/66/991890866.db2.gz YVDXHPYFGWAVES-LBPRGKRZSA-N 0 1 249.354 2.347 20 0 BEADMN CCN([C@H](C)Cc1ccccc1OC)C1COC1 ZINC001258894481 991892499 /nfs/dbraw/zinc/89/24/99/991892499.db2.gz YYFINCPBLNZFMC-GFCCVEGCSA-N 0 1 249.354 2.347 20 0 BEADMN COc1cc(CN[C@H](C)c2cn[nH]c2)ccc1F ZINC001319607745 991906087 /nfs/dbraw/zinc/90/60/87/991906087.db2.gz LRYNBXUIMAPFBU-SECBINFHSA-N 0 1 249.289 2.408 20 0 BEADMN Cc1nc(CN2CC[C@H]3C[C@H]32)c(C)s1 ZINC001319646833 991921368 /nfs/dbraw/zinc/92/13/68/991921368.db2.gz PCUOSNNAEDJMLF-GXSJLCMTSA-N 0 1 208.330 2.354 20 0 BEADMN CCC(=O)N1CCC[C@H](N(C)C[C@@H](F)CC)C1 ZINC001567185044 991956344 /nfs/dbraw/zinc/95/63/44/991956344.db2.gz OQUPOPZLQSPUOM-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H]1OCC[N@@H+](CCc2ccc(F)cc2)[C@H]1C ZINC001319911959 992027579 /nfs/dbraw/zinc/02/75/79/992027579.db2.gz AMJKTIVDCWMXIP-NWDGAFQWSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H]1OCCN(CCc2ccc(F)cc2)[C@H]1C ZINC001319911959 992027586 /nfs/dbraw/zinc/02/75/86/992027586.db2.gz AMJKTIVDCWMXIP-NWDGAFQWSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC001567392776 992029191 /nfs/dbraw/zinc/02/91/91/992029191.db2.gz MFUADPCXHSWTAB-VGMNWLOBSA-N 0 1 239.294 2.103 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC001319924752 992033128 /nfs/dbraw/zinc/03/31/28/992033128.db2.gz LUGUTIIEZZGTRB-KBPBESRZSA-N 0 1 231.343 2.489 20 0 BEADMN FCCN1CCC(n2cc(Cl)cn2)CC1 ZINC001319939303 992039498 /nfs/dbraw/zinc/03/94/98/992039498.db2.gz RSDUZJDGHAGCOE-UHFFFAOYSA-N 0 1 231.702 2.143 20 0 BEADMN CC[C@@H]1CN(Cc2ncoc2C(C)C)C[C@@H]1O ZINC001319997523 992066406 /nfs/dbraw/zinc/06/64/06/992066406.db2.gz UJQOHPFXNCQRFA-PWSUYJOCSA-N 0 1 238.331 2.001 20 0 BEADMN CC[C@H]1CN(Cc2ncoc2C(C)C)C[C@H]1O ZINC001319997521 992070432 /nfs/dbraw/zinc/07/04/32/992070432.db2.gz UJQOHPFXNCQRFA-CMPLNLGQSA-N 0 1 238.331 2.001 20 0 BEADMN C[C@H](NC(=O)c1[nH]ncc1F)c1cccs1 ZINC001567643037 992072716 /nfs/dbraw/zinc/07/27/16/992072716.db2.gz KEWQPWODJBFHJV-LURJTMIESA-N 0 1 239.275 2.101 20 0 BEADMN CCN(CC)C(=O)c1ccc2cncn2c1C ZINC001320108602 992108644 /nfs/dbraw/zinc/10/86/44/992108644.db2.gz MCNKQMBQIOWTJF-UHFFFAOYSA-N 0 1 231.299 2.125 20 0 BEADMN CCc1cc(CNc2noc(C(C)(C)C)n2)n[nH]1 ZINC001320149632 992114104 /nfs/dbraw/zinc/11/41/04/992114104.db2.gz LLOYIRRWSAYHQO-UHFFFAOYSA-N 0 1 249.318 2.265 20 0 BEADMN C/C=C/C=C\c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320213823 992135113 /nfs/dbraw/zinc/13/51/13/992135113.db2.gz VYFZKXUACGSKOH-GSTVFTAWSA-N 0 1 245.326 2.468 20 0 BEADMN CN(Cc1ccn(C)n1)CC1(C)CCCC1 ZINC001474747258 992145556 /nfs/dbraw/zinc/14/55/56/992145556.db2.gz BOZMYWWGVDYDFT-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN C(CC1CC1)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320329565 992173368 /nfs/dbraw/zinc/17/33/68/992173368.db2.gz XTPOQBUEEVTWGA-GFCCVEGCSA-N 0 1 247.342 2.221 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ncc(C)c(C)n2)[nH]n1 ZINC001320359810 992182506 /nfs/dbraw/zinc/18/25/06/992182506.db2.gz MLAIOHJBFQDHSB-VIFPVBQESA-N 0 1 245.330 2.168 20 0 BEADMN O=C(NC/C=C\C1CC1)c1cccc2nc[nH]c21 ZINC001261249352 992218161 /nfs/dbraw/zinc/21/81/61/992218161.db2.gz LMTPJJTXSHQOJE-IHWYPQMZSA-N 0 1 241.294 2.259 20 0 BEADMN Cc1c(C(=O)OCC(F)F)ccc2cncn21 ZINC001320634980 992290118 /nfs/dbraw/zinc/29/01/18/992290118.db2.gz BLHRERSMSLLKPO-UHFFFAOYSA-N 0 1 240.209 2.065 20 0 BEADMN Cc1c(C(=O)N2CC[C@H](C)C2)ccc2cncn21 ZINC001320840189 992379721 /nfs/dbraw/zinc/37/97/21/992379721.db2.gz QWKVYLFMNNYFQI-JTQLQIEISA-N 0 1 243.310 2.125 20 0 BEADMN C/C(=C\Cl)CSCc1nnc[nH]1 ZINC001261597270 992419625 /nfs/dbraw/zinc/41/96/25/992419625.db2.gz SVDNUOODWVTDHH-QHHAFSJGSA-N 0 1 203.698 2.181 20 0 BEADMN CC[C@@H]1c2ccsc2CCN1Cc1nnc[nH]1 ZINC001261636807 992429679 /nfs/dbraw/zinc/42/96/79/992429679.db2.gz WRCQLBZNUWUGFG-SNVBAGLBSA-N 0 1 248.355 2.376 20 0 BEADMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCCC1 ZINC001598505939 992503432 /nfs/dbraw/zinc/50/34/32/992503432.db2.gz WOTKTSWNIMPRRA-UHFFFAOYSA-N 0 1 222.288 2.087 20 0 BEADMN CN(Cc1nnc[nH]1)[C@@H]1CCc2c1cccc2F ZINC001321404802 992535029 /nfs/dbraw/zinc/53/50/29/992535029.db2.gz SOVLGPWQZOBLLW-GFCCVEGCSA-N 0 1 246.289 2.063 20 0 BEADMN CCCOc1cc[nH]c(=NOCC(C)C)n1 ZINC001262029202 992616613 /nfs/dbraw/zinc/61/66/13/992616613.db2.gz PARLDCPQRTXPLG-UHFFFAOYSA-N 0 1 225.292 2.265 20 0 BEADMN CC/C=C/CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001573831497 992727685 /nfs/dbraw/zinc/72/76/85/992727685.db2.gz AJODMUUADBVBBT-XKFHPXPTSA-N 0 1 211.305 2.280 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1NC ZINC001573853847 992734446 /nfs/dbraw/zinc/73/44/46/992734446.db2.gz GQIASMBQLCWUAX-UHFFFAOYSA-N 0 1 236.315 2.025 20 0 BEADMN CNc1ccccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC001573910217 992764710 /nfs/dbraw/zinc/76/47/10/992764710.db2.gz IKTDMVRBIPUULJ-UHFFFAOYSA-N 0 1 248.326 2.167 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H](F)C2)c2ncnn21 ZINC001262205152 992800156 /nfs/dbraw/zinc/80/01/56/992800156.db2.gz LSDQHXXUIGLMIP-YTWAJWBKSA-N 0 1 238.310 2.154 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCCCF ZINC001574266586 992834574 /nfs/dbraw/zinc/83/45/74/992834574.db2.gz PLDUWFLBRMTKKM-NXEZZACHSA-N 0 1 217.284 2.064 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)cc(C)n1 ZINC001574134968 992811289 /nfs/dbraw/zinc/81/12/89/992811289.db2.gz OCYXKCKBKPTOLC-UHFFFAOYSA-N 0 1 248.326 2.138 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC001574395456 992854697 /nfs/dbraw/zinc/85/46/97/992854697.db2.gz HMQARLCVVFGSJQ-BFHYXJOUSA-N 0 1 245.322 2.024 20 0 BEADMN Cc1cccnc1[C@H](C)NC[C@](C)(O)C(F)F ZINC001262560917 992912203 /nfs/dbraw/zinc/91/22/03/992912203.db2.gz GQMZEOKITKEQDG-CABZTGNLSA-N 0 1 244.285 2.057 20 0 BEADMN CCc1csc([C@H](C)N[C@@H](C)[C@H](C)O)n1 ZINC001262574821 992929709 /nfs/dbraw/zinc/92/97/09/992929709.db2.gz ATQIAFXYTVDLQP-CIUDSAMLSA-N 0 1 228.361 2.125 20 0 BEADMN Cc1cc(C(=O)Nc2cnoc2C(C)C)on1 ZINC001262639439 992989696 /nfs/dbraw/zinc/98/96/96/992989696.db2.gz CHCBMOJXKCLXSA-UHFFFAOYSA-N 0 1 235.243 2.347 20 0 BEADMN CCC[C@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC001262646501 992996916 /nfs/dbraw/zinc/99/69/16/992996916.db2.gz DYHXGTINEKOJNQ-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1cc(F)cc(N2CCN(C(C)C)CC2)n1 ZINC001262677764 993018026 /nfs/dbraw/zinc/01/80/26/993018026.db2.gz BYTGWEWOXSDVKA-UHFFFAOYSA-N 0 1 237.322 2.060 20 0 BEADMN NCc1nccnc1NCC1(C2CCC2)CCC1 ZINC001262698625 993038310 /nfs/dbraw/zinc/03/83/10/993038310.db2.gz AJBIFMYBLZJJAP-UHFFFAOYSA-N 0 1 246.358 2.318 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC1(C)CCC1 ZINC001263403998 993281093 /nfs/dbraw/zinc/28/10/93/993281093.db2.gz WBKXUCHLDJYRBI-LLVKDONJSA-N 0 1 225.332 2.345 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2nonc2C)C1 ZINC000380361858 993327992 /nfs/dbraw/zinc/32/79/92/993327992.db2.gz YUEURWFTYPPANY-NXEZZACHSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@@H](OC(=O)c1[nH]cnc1C)C(F)(F)F ZINC001263506787 993349733 /nfs/dbraw/zinc/34/97/33/993349733.db2.gz HTYYMWXRYZTCBQ-ZCFIWIBFSA-N 0 1 236.193 2.216 20 0 BEADMN CC[C@@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC000381184197 993377416 /nfs/dbraw/zinc/37/74/16/993377416.db2.gz XDNQECHHRQKMGW-SECBINFHSA-N 0 1 242.344 2.219 20 0 BEADMN C[C@H]1CN(Cc2cnc(N)s2)CCC1(F)F ZINC000381447344 993396864 /nfs/dbraw/zinc/39/68/64/993396864.db2.gz BINUSQWGTPSONY-ZETCQYMHSA-N 0 1 247.314 2.033 20 0 BEADMN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001576769939 993411588 /nfs/dbraw/zinc/41/15/88/993411588.db2.gz RMRWKNRDHSABLV-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@]1(CO)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000381812251 993425642 /nfs/dbraw/zinc/42/56/42/993425642.db2.gz VOLXGOLXVXHOLG-CYBMUJFWSA-N 0 1 241.281 2.169 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@@](C)(CO)C1 ZINC000381850671 993430366 /nfs/dbraw/zinc/43/03/66/993430366.db2.gz ZHPRJZOXCQVNTL-OAHLLOKOSA-N 0 1 249.354 2.208 20 0 BEADMN Cn1ncc(Cl)c1CNC/C=C\C1CC1 ZINC000382299092 993447463 /nfs/dbraw/zinc/44/74/63/993447463.db2.gz MWCQIAOQOVIPDA-IHWYPQMZSA-N 0 1 225.723 2.129 20 0 BEADMN Clc1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC000384739148 993616574 /nfs/dbraw/zinc/61/65/74/993616574.db2.gz CODBGOGJJGIEFL-VIFPVBQESA-N 0 1 235.674 2.424 20 0 BEADMN Cc1ccccc1-c1noc([C@@H]2CCN2)n1 ZINC000384823960 993626709 /nfs/dbraw/zinc/62/67/09/993626709.db2.gz TUQOKFWSOHANMV-JTQLQIEISA-N 0 1 215.256 2.079 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCN3)n2)cc1F ZINC000384839458 993633760 /nfs/dbraw/zinc/63/37/60/993633760.db2.gz RYCZQYHOMPYZNF-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN Nc1ccc2c(c1)CCCN2c1ncc[nH]1 ZINC000385838888 993672431 /nfs/dbraw/zinc/67/24/31/993672431.db2.gz NEGMVHGJQPCZRS-UHFFFAOYSA-N 0 1 214.272 2.076 20 0 BEADMN Nc1ncc(CN2CCC(C(F)F)CC2)s1 ZINC000390337400 993783908 /nfs/dbraw/zinc/78/39/08/993783908.db2.gz LZTKWVFUNYPVAK-UHFFFAOYSA-N 0 1 247.314 2.033 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(O)cc2F)C1 ZINC000701668559 993901044 /nfs/dbraw/zinc/90/10/44/993901044.db2.gz RLYKKLXOWMYMOA-GFCCVEGCSA-N 0 1 239.290 2.142 20 0 BEADMN CNc1ncccc1CN1CC[C@@H](OC(C)C)C1 ZINC000701731353 993905313 /nfs/dbraw/zinc/90/53/13/993905313.db2.gz VRPZKAPOQKNKAT-CYBMUJFWSA-N 0 1 249.358 2.123 20 0 BEADMN COc1ccc2nc(-c3cccnn3)[nH]c2c1 ZINC000701793097 993911794 /nfs/dbraw/zinc/91/17/94/993911794.db2.gz ZTDGTUYTTMGUKS-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC[C@H]1CC[C@H](NCc2ncccn2)C1 ZINC000702397219 994003088 /nfs/dbraw/zinc/00/30/88/994003088.db2.gz KONUTWFYNSHGPG-QWRGUYRKSA-N 0 1 205.305 2.145 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2ncccn2)C1 ZINC000702397217 994003718 /nfs/dbraw/zinc/00/37/18/994003718.db2.gz KONUTWFYNSHGPG-GHMZBOCLSA-N 0 1 205.305 2.145 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC001599645166 994416006 /nfs/dbraw/zinc/41/60/06/994416006.db2.gz PDVGANJRWMEDMC-UWVGGRQHSA-N 0 1 249.310 2.234 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[C@H](C)C(C)(C)C ZINC001289119262 994488569 /nfs/dbraw/zinc/48/85/69/994488569.db2.gz FDUDDQRSABTERB-SDDRHHMPSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CCN1C)[C@H](C)C(C)(C)C ZINC001289119262 994488576 /nfs/dbraw/zinc/48/85/76/994488576.db2.gz FDUDDQRSABTERB-SDDRHHMPSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](NC(=O)C=C1CC[C@@H](C)C1)c1ncc[nH]1 ZINC001306847666 994535780 /nfs/dbraw/zinc/53/57/80/994535780.db2.gz RNCUQQQGLZHNIJ-ITYVAHBBSA-N 0 1 233.315 2.333 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)CCN1CC[C@H](F)C1 ZINC001290874154 994561826 /nfs/dbraw/zinc/56/18/26/994561826.db2.gz HKZCHYQYVHDISQ-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN Nc1ccnc(CN2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001335133564 994687439 /nfs/dbraw/zinc/68/74/39/994687439.db2.gz LKKBTKMIEFBJIT-RYUDHWBXSA-N 0 1 246.358 2.071 20 0 BEADMN Nc1nccc(NC[C@H]2CCC[C@H]2C2CC2)n1 ZINC001336666220 995071735 /nfs/dbraw/zinc/07/17/35/995071735.db2.gz QINABFKWQDSNPE-MNOVXSKESA-N 0 1 232.331 2.297 20 0 BEADMN Cc1cc(CCC(=O)NCCCCC2CC2)n[nH]1 ZINC001302507217 995119573 /nfs/dbraw/zinc/11/95/73/995119573.db2.gz LNQCCXBZOKBLIZ-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1c1nccnc1CN ZINC001337066795 995134897 /nfs/dbraw/zinc/13/48/97/995134897.db2.gz LZGNZJBREWMZQI-DGCLKSJQSA-N 0 1 248.374 2.340 20 0 BEADMN CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)C(C)(C)C ZINC001303375929 995150280 /nfs/dbraw/zinc/15/02/80/995150280.db2.gz QFKIUSAXEYTWRX-LBPRGKRZSA-N 0 1 242.407 2.469 20 0 BEADMN Cc1cc(CCC(=O)NCCC2CC=CC2)n[nH]1 ZINC001303419067 995153213 /nfs/dbraw/zinc/15/32/13/995153213.db2.gz XSHVFFBEQHHEGA-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN CC(C)(C)c1coc(CSc2c[nH]nn2)n1 ZINC001307308169 995315790 /nfs/dbraw/zinc/31/57/90/995315790.db2.gz IHXTVKWXAFJOPY-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN CC[C@@H](NCC(C)=O)c1ccc(F)cc1 ZINC001307601153 995416446 /nfs/dbraw/zinc/41/64/46/995416446.db2.gz SYUVHXMHDZISBZ-GFCCVEGCSA-N 0 1 209.264 2.455 20 0 BEADMN Cc1ccc([C@H](C)NCC2=NOCC2)cc1 ZINC001307628944 995421033 /nfs/dbraw/zinc/42/10/33/995421033.db2.gz JHEGZZYPZJVXTL-NSHDSACASA-N 0 1 218.300 2.422 20 0 BEADMN CC[C@H](c1ccncc1)N(C)CC1=NOCC1 ZINC001307651641 995426988 /nfs/dbraw/zinc/42/69/88/995426988.db2.gz QOQLNIYAONSFSK-CYBMUJFWSA-N 0 1 233.315 2.241 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C)Cc1nnc(C)o1 ZINC001307916508 995495994 /nfs/dbraw/zinc/49/59/94/995495994.db2.gz FCWKUMMIFAQIQF-RKDXNWHRSA-N 0 1 211.309 2.244 20 0 BEADMN FC1(F)CC[C@@H](CN2CCn3nccc3C2)C1 ZINC001307959301 995511220 /nfs/dbraw/zinc/51/12/20/995511220.db2.gz YKYOLCZDYJMTGO-SNVBAGLBSA-N 0 1 241.285 2.134 20 0 BEADMN CC(C)[C@H](O)CN1CCCC[C@@H]1c1ncccn1 ZINC001308046821 995534840 /nfs/dbraw/zinc/53/48/40/995534840.db2.gz BUWURHBCPOGMIX-CHWSQXEVSA-N 0 1 249.358 2.021 20 0 BEADMN CC1(C(=O)[O-])C[NH+](Cc2cscc2Cl)C1 ZINC001593805925 996534391 /nfs/dbraw/zinc/53/43/91/996534391.db2.gz BBCNDCLSDQWUMM-UHFFFAOYSA-N 0 1 245.731 2.308 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001594109045 998189757 /nfs/dbraw/zinc/18/97/57/998189757.db2.gz CMKWIBFCGVZGAD-VIFPVBQESA-N 0 1 234.299 2.111 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](CCCCC(=O)[O-])C1 ZINC001594109362 998192288 /nfs/dbraw/zinc/19/22/88/998192288.db2.gz DYCRBWXWLCNAPE-SNVBAGLBSA-N 0 1 211.305 2.139 20 0 BEADMN CC1=C(C)C[N@@H+](CC2(CC(=O)[O-])CC2)CC1 ZINC001594110726 998214031 /nfs/dbraw/zinc/21/40/31/998214031.db2.gz ZVCQGNOSQFUFEH-UHFFFAOYSA-N 0 1 223.316 2.283 20 0 BEADMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCC(=O)[O-])C1 ZINC001594272940 999057654 /nfs/dbraw/zinc/05/76/54/999057654.db2.gz WOTZYOQXCYBCIG-WCQYABFASA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCC(=O)[O-])C1 ZINC001594272938 999057705 /nfs/dbraw/zinc/05/77/05/999057705.db2.gz WOTZYOQXCYBCIG-AAEUAGOBSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001594282026 999091151 /nfs/dbraw/zinc/09/11/51/999091151.db2.gz CTYHZDUJLKGILM-JTQLQIEISA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001594374953 999413504 /nfs/dbraw/zinc/41/35/04/999413504.db2.gz HXFDXEWGPVEBKI-SNVBAGLBSA-N 0 1 236.315 2.098 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C[C@@H]1C ZINC001594423906 999585125 /nfs/dbraw/zinc/58/51/25/999585125.db2.gz KVFYYTNISIISNK-ZJUUUORDSA-N 0 1 236.315 2.191 20 0 BEADMN Cc1cc(NCCc2ccn[nH]2)nc(C2CC2)n1 ZINC001515955314 1170059617 /nfs/dbraw/zinc/05/96/17/1170059617.db2.gz DSTFIQWIVVNSCF-UHFFFAOYSA-N 0 1 243.314 2.040 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)CCc1cc(C)[nH]n1 ZINC001566930605 1170091691 /nfs/dbraw/zinc/09/16/91/1170091691.db2.gz AKTSCTSGRIFPFW-YPMHNXCESA-N 0 1 249.358 2.440 20 0 BEADMN CCn1ccc(CNC[C@@H]2CCCCS2)n1 ZINC001620873418 1170162450 /nfs/dbraw/zinc/16/24/50/1170162450.db2.gz AJCNMPWRDSWHGB-LBPRGKRZSA-N 0 1 239.388 2.278 20 0 BEADMN CC(C)=CC[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC001609682061 1170274890 /nfs/dbraw/zinc/27/48/90/1170274890.db2.gz MKVTWYXYKJGDBC-SNVBAGLBSA-N 0 1 225.313 2.430 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccccc1CC(=O)[O-] ZINC001609841289 1170298714 /nfs/dbraw/zinc/29/87/14/1170298714.db2.gz KKGJPLATPIGFIX-PHIMTYICSA-N 0 1 233.311 2.296 20 0 BEADMN C[C@H]1c2cccn2CC[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC001609885401 1170309171 /nfs/dbraw/zinc/30/91/71/1170309171.db2.gz NRNGBDCKHUBZBN-NSHDSACASA-N 0 1 248.326 2.120 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001609952249 1170326717 /nfs/dbraw/zinc/32/67/17/1170326717.db2.gz OEWGSWVHKJEFAV-LLVKDONJSA-N 0 1 236.315 2.477 20 0 BEADMN CC/C=C/CC[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001609952086 1170327434 /nfs/dbraw/zinc/32/74/34/1170327434.db2.gz SORJSNBJXAKVEG-NNNHXZLVSA-N 0 1 243.347 2.153 20 0 BEADMN CC/C=C\CC[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001609952084 1170327682 /nfs/dbraw/zinc/32/76/82/1170327682.db2.gz SORJSNBJXAKVEG-DGMVEKRQSA-N 0 1 243.347 2.153 20 0 BEADMN CCc1nc([C@H](C)[NH2+][C@@H](CC)C(=O)[O-])cs1 ZINC001610070492 1170345967 /nfs/dbraw/zinc/34/59/67/1170345967.db2.gz FNEZPQHHAPYMQM-YUMQZZPRSA-N 0 1 242.344 2.219 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC001610075663 1170349464 /nfs/dbraw/zinc/34/94/64/1170349464.db2.gz SGYQORFWERPZGZ-BDAKNGLRSA-N 0 1 237.299 2.380 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@H](C)C1 ZINC001610390728 1170373176 /nfs/dbraw/zinc/37/31/76/1170373176.db2.gz QSTQQIJCMWQRCB-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](F)C1 ZINC001610529917 1170381795 /nfs/dbraw/zinc/38/17/95/1170381795.db2.gz VHVYBSBGXXLWSY-PWSUYJOCSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](F)C1 ZINC001610529917 1170381802 /nfs/dbraw/zinc/38/18/02/1170381802.db2.gz VHVYBSBGXXLWSY-PWSUYJOCSA-N 0 1 237.274 2.165 20 0 BEADMN O=C([O-])[C@@H](c1cccnc1)[N@H+]1CCC2(CCC2)C1 ZINC001610725042 1170405625 /nfs/dbraw/zinc/40/56/25/1170405625.db2.gz KDCGESPRLJELEC-GFCCVEGCSA-N 0 1 246.310 2.083 20 0 BEADMN C=C/C=C\CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC001610944682 1170425144 /nfs/dbraw/zinc/42/51/44/1170425144.db2.gz WJUGHQFJTXJRGA-JYESYGNLSA-N 0 1 248.330 2.238 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H]3[C@H](C2)C3(F)F)o1 ZINC001616468435 1170554076 /nfs/dbraw/zinc/55/40/76/1170554076.db2.gz YMHOXSWSQRIYPQ-ZJUUUORDSA-N 0 1 242.269 2.378 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](CC)[C@H]2C)n[nH]1 ZINC001616975368 1170573994 /nfs/dbraw/zinc/57/39/94/1170573994.db2.gz QJVKNBGMNUTKMM-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN CC[C@@H]1CCN([C@H](C)c2nnnn2C2CC2)[C@@H]1C ZINC001617358583 1170590339 /nfs/dbraw/zinc/59/03/39/1170590339.db2.gz BIOFJCDIJLNQIN-GMTAPVOTSA-N 0 1 249.362 2.189 20 0 BEADMN CC[N@H+](Cc1nc(C)cc(=O)[n-]1)C(C)(C)C ZINC001618177832 1170620803 /nfs/dbraw/zinc/62/08/03/1170620803.db2.gz IWVBYFZHENYLKR-UHFFFAOYSA-N 0 1 223.320 2.111 20 0 BEADMN CC[N@@H+](Cc1nc(C)cc(=O)[n-]1)C(C)(C)C ZINC001618177832 1170620806 /nfs/dbraw/zinc/62/08/06/1170620806.db2.gz IWVBYFZHENYLKR-UHFFFAOYSA-N 0 1 223.320 2.111 20 0 BEADMN O=C(c1c2[nH]cnc2ccc1F)N1CCCCC1 ZINC001618386643 1170631958 /nfs/dbraw/zinc/63/19/58/1170631958.db2.gz HUBGANCYCYKRGJ-UHFFFAOYSA-N 0 1 247.273 2.328 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@H](CCCO)C2)o1 ZINC001618509942 1170639056 /nfs/dbraw/zinc/63/90/56/1170639056.db2.gz DUNKGJUCWNJHIM-NEPJUHHUSA-N 0 1 238.331 2.138 20 0 BEADMN C[C@@H]1[C@H](C)N([C@@H]2C=CCCC2)[C@@H](C)C(=O)N1C ZINC001618874298 1170652426 /nfs/dbraw/zinc/65/24/26/1170652426.db2.gz UJJJIKPKQBVXCW-MROQNXINSA-N 0 1 236.359 2.035 20 0 BEADMN CCOCCN1CCCC[C@@H]1c1cc(C)n[nH]1 ZINC001620614999 1170687477 /nfs/dbraw/zinc/68/74/77/1170687477.db2.gz IUPCPKYNSCXLAX-CYBMUJFWSA-N 0 1 237.347 2.282 20 0 BEADMN Fc1cccc2c1CC[C@H]2NCC1=NOCC1 ZINC001620591022 1170687866 /nfs/dbraw/zinc/68/78/66/1170687866.db2.gz NEUHLJKZUGABQA-CYBMUJFWSA-N 0 1 234.274 2.179 20 0 BEADMN Cc1nc(CNC2([C@H]3CCCO3)CCC2)[nH]c1C ZINC001620671590 1170697954 /nfs/dbraw/zinc/69/79/54/1170697954.db2.gz OVIXDGBXJFSIAX-GFCCVEGCSA-N 0 1 249.358 2.218 20 0 BEADMN CN(Cc1cn(C2CC2)cn1)C[C@H]1CCCOC1 ZINC001621140769 1170722457 /nfs/dbraw/zinc/72/24/57/1170722457.db2.gz BSFSDJIHFYTTFA-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN CCCn1cncc1CN1CC(C2CC2)C1 ZINC001621361072 1170782784 /nfs/dbraw/zinc/78/27/84/1170782784.db2.gz UWDMCLHDDSBQPX-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN Cc1cc2nc(CCCCO)[nH]c2c(C)c1 ZINC000026462259 1170862915 /nfs/dbraw/zinc/86/29/15/1170862915.db2.gz RDGHNBVVVRDWBV-UHFFFAOYSA-N 0 1 218.300 2.495 20 0 BEADMN Cc1nnc(S[C@@H]2CCCCCC2=O)[nH]1 ZINC000031794276 1170879370 /nfs/dbraw/zinc/87/93/70/1170879370.db2.gz ISLSBDNWJQMUDE-SECBINFHSA-N 0 1 225.317 2.107 20 0 BEADMN Cc1n[nH]c(S[C@@H]2CCCCCC2=O)n1 ZINC000031794276 1170879380 /nfs/dbraw/zinc/87/93/80/1170879380.db2.gz ISLSBDNWJQMUDE-SECBINFHSA-N 0 1 225.317 2.107 20 0 BEADMN CC(=O)c1ccc(OC2CCN(C)CC2)cc1 ZINC000031978625 1170881974 /nfs/dbraw/zinc/88/19/74/1170881974.db2.gz PXUIQDUHSWAALN-UHFFFAOYSA-N 0 1 233.311 2.362 20 0 BEADMN CCCOC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001622611555 1170894421 /nfs/dbraw/zinc/89/44/21/1170894421.db2.gz SDMJLPSNHCJVFC-UHFFFAOYSA-N 0 1 225.292 2.169 20 0 BEADMN C/C=C(/C)C(=O)NCCCCc1ccnc(N)c1 ZINC001649193071 1170962094 /nfs/dbraw/zinc/96/20/94/1170962094.db2.gz BSYFHWAOCXBYHK-JYOAFUTRSA-N 0 1 247.342 2.069 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)Cc1c[nH]cn1 ZINC001624054193 1171004421 /nfs/dbraw/zinc/00/44/21/1171004421.db2.gz FOGQGBHLGUZTEO-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN CS/C=C\C(=O)NCc1ccc2nc[nH]c2c1 ZINC001624615851 1171048074 /nfs/dbraw/zinc/04/80/74/1171048074.db2.gz WHUYOVGQKMDGHQ-PLNGDYQASA-N 0 1 247.323 2.056 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccccc1N(C)C ZINC001625419761 1171099733 /nfs/dbraw/zinc/09/97/33/1171099733.db2.gz FLOFCERWMVQNGL-UHFFFAOYSA-N 0 1 244.298 2.036 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)[C@@H]1CCN1CC ZINC001625750292 1171115047 /nfs/dbraw/zinc/11/50/47/1171115047.db2.gz BNPBWRLBNNXFNK-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1cc(CCC(=O)N2CCC(C)(C)CC2)n[nH]1 ZINC001626502496 1171127857 /nfs/dbraw/zinc/12/78/57/1171127857.db2.gz XUWQCVPGSHNWRC-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN CC1(C)C[C@H]1CNC(=O)c1cccc(F)c1O ZINC001628803912 1171265560 /nfs/dbraw/zinc/26/55/60/1171265560.db2.gz NRDJDWMZCIATPK-QMMMGPOBSA-N 0 1 237.274 2.307 20 0 BEADMN CC(C)CCCCNC(=O)[C@H]1CCCCN1C ZINC001629670073 1171337289 /nfs/dbraw/zinc/33/72/89/1171337289.db2.gz QWWLSUUKINSVBF-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN C=C/C=C/CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC001629890412 1171352061 /nfs/dbraw/zinc/35/20/61/1171352061.db2.gz HYKKTNOBMXZLMM-UFFNRZRYSA-N 0 1 231.299 2.036 20 0 BEADMN CCC(CC)CN(CC)C(=O)CN1CCCC1 ZINC001630073069 1171366303 /nfs/dbraw/zinc/36/63/03/1171366303.db2.gz LXMAIUGACLHAJE-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCCNCc1nc(-c2ccc(OC)cc2)no1 ZINC000044291658 1171368101 /nfs/dbraw/zinc/36/81/01/1171368101.db2.gz WMQHXCMTLJLMBH-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)[C@@H](C)N(C)C ZINC001631679297 1171472382 /nfs/dbraw/zinc/47/23/82/1171472382.db2.gz GUHFMJYAUOVLLM-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](CC)NC(=O)CCN1CC[C@@H](F)C1 ZINC001631826999 1171481365 /nfs/dbraw/zinc/48/13/65/1171481365.db2.gz GAPVEXOYPUCHEO-NEPJUHHUSA-N 0 1 244.354 2.115 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)C1CCCCCC1 ZINC001632572067 1171516437 /nfs/dbraw/zinc/51/64/37/1171516437.db2.gz ADRAXGFIXZIQFP-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC[C@H](C)C2)n[nH]1 ZINC001633185521 1171560698 /nfs/dbraw/zinc/56/06/98/1171560698.db2.gz ZDCNUBQVBYBMNP-NSHDSACASA-N 0 1 249.358 2.299 20 0 BEADMN CC[C@@](C)(NC(=O)CCc1cc(C)[nH]n1)C1CC1 ZINC001633172717 1171561484 /nfs/dbraw/zinc/56/14/84/1171561484.db2.gz QSPKLUBQHSONTE-CQSZACIVSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@@H](NC(=O)c1[nH]ncc1F)c1cccs1 ZINC001633236114 1171567338 /nfs/dbraw/zinc/56/73/38/1171567338.db2.gz KEWQPWODJBFHJV-ZCFIWIBFSA-N 0 1 239.275 2.101 20 0 BEADMN CC(C)OC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000047908622 1171577073 /nfs/dbraw/zinc/57/70/73/1171577073.db2.gz DUCFUHPTFSFYMI-JTQLQIEISA-N 0 1 225.332 2.201 20 0 BEADMN CCCN1CC(N(C)C(=O)CC(C)=C(C)C)C1 ZINC001671157599 1171593471 /nfs/dbraw/zinc/59/34/71/1171593471.db2.gz LKZDWJNXGQCYCT-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN CN[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000048655206 1171633837 /nfs/dbraw/zinc/63/38/37/1171633837.db2.gz YXJIZIMNONQOST-SECBINFHSA-N 0 1 217.272 2.325 20 0 BEADMN Cc1ccc(C=CCC(=O)Nc2c[nH]nn2)cc1 ZINC001634387291 1171647095 /nfs/dbraw/zinc/64/70/95/1171647095.db2.gz IFLRMUQCVDKIGU-IHWYPQMZSA-N 0 1 242.282 2.155 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)Nc1cccnc1 ZINC000049519471 1171703232 /nfs/dbraw/zinc/70/32/32/1171703232.db2.gz NGOWNONVANLCQX-CYBMUJFWSA-N 0 1 247.342 2.285 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716294 1171725396 /nfs/dbraw/zinc/72/53/96/1171725396.db2.gz LTAABNDPSWXTBN-WCQYABFASA-N 0 1 231.295 2.369 20 0 BEADMN O=C(OCc1ccc(Cl)cc1)[C@@H]1CCCN1 ZINC000049829947 1171734700 /nfs/dbraw/zinc/73/47/00/1171734700.db2.gz MKWKRKZSNUGRRG-NSHDSACASA-N 0 1 239.702 2.135 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CCC[C@H]2C)[nH]1 ZINC001635610462 1171740627 /nfs/dbraw/zinc/74/06/27/1171740627.db2.gz MQTFXOQLTXGBAH-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)[C@H](C)[C@@H](C)CC)[nH]1 ZINC001635610304 1171742992 /nfs/dbraw/zinc/74/29/92/1171742992.db2.gz GTTRTZRBPIGHBQ-VHSXEESVSA-N 0 1 237.347 2.271 20 0 BEADMN CCCC=CC(=O)NCc1nc2c([nH]1)CCCC2 ZINC001635855100 1171769313 /nfs/dbraw/zinc/76/93/13/1171769313.db2.gz ZQXKNHCNUUSEID-RUDMXATFSA-N 0 1 247.342 2.261 20 0 BEADMN O=C(Nc1ccsn1)c1cccc2nc[nH]c21 ZINC001636479736 1171837201 /nfs/dbraw/zinc/83/72/01/1171837201.db2.gz FLQIFMDWTLLNPP-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001636500866 1171841594 /nfs/dbraw/zinc/84/15/94/1171841594.db2.gz PEFSVXFFVNZMKN-ORAHPGNNSA-N 0 1 247.342 2.231 20 0 BEADMN Cc1nc2cc(NCc3nccn3C)ccc2[nH]1 ZINC000051923268 1171929945 /nfs/dbraw/zinc/92/99/45/1171929945.db2.gz QHLBZQBBDWACJH-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCCCOCCN1CCOCC12CCC2 ZINC000135544707 398136229 /nfs/dbraw/zinc/13/62/29/398136229.db2.gz AKDJMZOODBHCEX-UHFFFAOYSA-N 0 1 227.348 2.058 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340523748 398136625 /nfs/dbraw/zinc/13/66/25/398136625.db2.gz PPRZSBWLVNLCNE-SDDRHHMPSA-N 0 1 237.322 2.278 20 0 BEADMN Cc1nc(CNC[C@@H]2CCCC[C@H]2O)cs1 ZINC000082991344 349440607 /nfs/dbraw/zinc/44/06/07/349440607.db2.gz OZXQRLAVYLVAJN-CMPLNLGQSA-N 0 1 240.372 2.092 20 0 BEADMN CC[C@H](N[C@H](C)c1ccco1)[C@H](O)C(F)F ZINC000296629058 398139953 /nfs/dbraw/zinc/13/99/53/398139953.db2.gz XITQMPAFXJCKRO-WEDXCCLWSA-N 0 1 233.258 2.335 20 0 BEADMN Cc1cc(CC(=O)Nc2cccc(F)c2C)n[nH]1 ZINC000122490434 177959966 /nfs/dbraw/zinc/95/99/66/177959966.db2.gz VZFPLPBVRASZQW-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000257656817 349470430 /nfs/dbraw/zinc/47/04/30/349470430.db2.gz HUDKRBLNJXUBEG-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN Cc1cccc(CCC[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000257667404 349471160 /nfs/dbraw/zinc/47/11/60/349471160.db2.gz KWGJNDCNGZODNI-CQSZACIVSA-N 0 1 247.338 2.334 20 0 BEADMN C[C@H]1CCC[C@@H](Cn2cc(CNC3CC3)nn2)C1 ZINC000385290525 398144575 /nfs/dbraw/zinc/14/45/75/398144575.db2.gz OWJQSYUBRUYMEN-NWDGAFQWSA-N 0 1 248.374 2.356 20 0 BEADMN C[C@H](CCO)N(C)Cc1cccc(F)c1F ZINC000649863652 398145307 /nfs/dbraw/zinc/14/53/07/398145307.db2.gz LHHCEBOJAKBACK-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@](C)(CO)NCc1nc2ccccc2o1 ZINC000605423004 343978842 /nfs/dbraw/zinc/97/88/42/343978842.db2.gz WESFHPIMAWQRJU-CYBMUJFWSA-N 0 1 234.299 2.078 20 0 BEADMN C[C@H](CCO)N(C)Cc1ccc(F)cc1F ZINC000649867387 398148626 /nfs/dbraw/zinc/14/86/26/398148626.db2.gz HUSXFWBBSWTZRX-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000336628447 178005253 /nfs/dbraw/zinc/00/52/53/178005253.db2.gz YEHKXYXTMWYHSA-WPRPVWTQSA-N 0 1 237.303 2.119 20 0 BEADMN C[C@H](N[C@H]1CCOC2(CCC2)C1)C(F)F ZINC000389942909 398153369 /nfs/dbraw/zinc/15/33/69/398153369.db2.gz OEYNWAUOBBFDOZ-IUCAKERBSA-N 0 1 219.275 2.331 20 0 BEADMN Cc1cc(CNC[C@H]2CCCSC2)no1 ZINC000336714697 178024473 /nfs/dbraw/zinc/02/44/73/178024473.db2.gz WCXZPGIPYQDHCS-SNVBAGLBSA-N 0 1 226.345 2.216 20 0 BEADMN Cc1cc(CNCc2cccs2)n(C)n1 ZINC000041050862 178027488 /nfs/dbraw/zinc/02/74/88/178027488.db2.gz NPBKLIVVIAGRAY-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN COc1ccc(OC)c(CNCC2(F)CC2)c1 ZINC000527513596 398170393 /nfs/dbraw/zinc/17/03/93/398170393.db2.gz KUPBLNQTJYHKLE-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN c1cc(CCNc2ncnc3[nH]cnc32)cs1 ZINC000042249809 398170485 /nfs/dbraw/zinc/17/04/85/398170485.db2.gz OKOCSRXKLDUZEV-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN Cc1c([C@@H](C)NCc2ccnc(C)c2)cnn1C ZINC000527537644 398171626 /nfs/dbraw/zinc/17/16/26/398171626.db2.gz DYXFYJWOHFPWIS-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3occc32)n(C)n1 ZINC000284114246 178032585 /nfs/dbraw/zinc/03/25/85/178032585.db2.gz CHCDDGRWBKLFEH-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1ccc(CN(C)CCOC2CCC2)nc1 ZINC000649903962 398175009 /nfs/dbraw/zinc/17/50/09/398175009.db2.gz DMHVEILPBQRECJ-UHFFFAOYSA-N 0 1 234.343 2.391 20 0 BEADMN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCOC1 ZINC000424206394 398175572 /nfs/dbraw/zinc/17/55/72/398175572.db2.gz WZKSALOHVIQPLR-AVGNSLFASA-N 0 1 221.275 2.002 20 0 BEADMN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCOC1 ZINC000424206397 398175799 /nfs/dbraw/zinc/17/57/99/398175799.db2.gz WZKSALOHVIQPLR-UPJWGTAASA-N 0 1 221.275 2.002 20 0 BEADMN COCC[C@H](c1ccccc1)N1CCOCC1 ZINC000339865937 398176888 /nfs/dbraw/zinc/17/68/88/398176888.db2.gz LNITZLHQLSVDAD-CQSZACIVSA-N 0 1 235.327 2.096 20 0 BEADMN Cc1ccc(CN(C)CCOCC(F)F)nc1 ZINC000649904463 398177364 /nfs/dbraw/zinc/17/73/64/398177364.db2.gz ZEGPNIMZEPOBSM-UHFFFAOYSA-N 0 1 244.285 2.104 20 0 BEADMN C[C@@H](c1cnccn1)N1CC[C@@]2(CC2(F)F)C1 ZINC000649908588 398183611 /nfs/dbraw/zinc/18/36/11/398183611.db2.gz RWMQYFQSDIXDSC-GXSJLCMTSA-N 0 1 239.269 2.269 20 0 BEADMN CCCCOCCNCc1cc(OC)ns1 ZINC000399061050 398179349 /nfs/dbraw/zinc/17/93/49/398179349.db2.gz LSVFYAJXMRFKGS-UHFFFAOYSA-N 0 1 244.360 2.058 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000155870302 178054599 /nfs/dbraw/zinc/05/45/99/178054599.db2.gz UEGJDEKQXGTRLZ-VQCYPWCPSA-N 0 1 249.358 2.368 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cn1 ZINC000649907145 398181487 /nfs/dbraw/zinc/18/14/87/398181487.db2.gz JUXAJPFTWKEYER-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1ncc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC000649907145 398181491 /nfs/dbraw/zinc/18/14/91/398181491.db2.gz JUXAJPFTWKEYER-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)c2cccs2)n[nH]1 ZINC000161597331 178055722 /nfs/dbraw/zinc/05/57/22/178055722.db2.gz GVCZOVFHEQTPQO-MRVPVSSYSA-N 0 1 249.339 2.141 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)C(C)C)n[nH]1 ZINC000178194677 178056896 /nfs/dbraw/zinc/05/68/96/178056896.db2.gz JDVVKLKEEKZPOK-GXSJLCMTSA-N 0 1 237.347 2.057 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@H]1NCC(F)(F)CN ZINC000423343911 398166547 /nfs/dbraw/zinc/16/65/47/398166547.db2.gz MHAOZFQTEUGWFI-GMTAPVOTSA-N 0 1 234.334 2.385 20 0 BEADMN COCC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000283444020 398187042 /nfs/dbraw/zinc/18/70/42/398187042.db2.gz IDYMIFDDQXOVRF-WPRPVWTQSA-N 0 1 212.293 2.059 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CO ZINC000162440306 538922780 /nfs/dbraw/zinc/92/27/80/538922780.db2.gz DNXYCOIBEUHYNR-CQSZACIVSA-N 0 1 237.318 2.481 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc(F)cc1C ZINC000050577151 178086759 /nfs/dbraw/zinc/08/67/59/178086759.db2.gz OXFPLUQZJLICPX-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN C[C@@H]1CCN(Cc2ccnc(C#N)c2)CCS1 ZINC000380371002 398191580 /nfs/dbraw/zinc/19/15/80/398191580.db2.gz CLCQMMQZSGUEJN-LLVKDONJSA-N 0 1 247.367 2.281 20 0 BEADMN CN(Cc1cn[nH]c1)CC1=CCCCC1 ZINC000649385696 398191894 /nfs/dbraw/zinc/19/18/94/398191894.db2.gz FPTLWIFWYCUPSI-UHFFFAOYSA-N 0 1 205.305 2.342 20 0 BEADMN CNC(=O)c1cccc(C[N@@H+]2CC=C(C)CC2)c1 ZINC000334260118 398194749 /nfs/dbraw/zinc/19/47/49/398194749.db2.gz VUHMXPLOWCCLJN-UHFFFAOYSA-N 0 1 244.338 2.198 20 0 BEADMN CNC(=O)c1cccc(CN2CC=C(C)CC2)c1 ZINC000334260118 398194751 /nfs/dbraw/zinc/19/47/51/398194751.db2.gz VUHMXPLOWCCLJN-UHFFFAOYSA-N 0 1 244.338 2.198 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000649376981 398185159 /nfs/dbraw/zinc/18/51/59/398185159.db2.gz QXKMUBWYMSYRAB-MWLCHTKSSA-N 0 1 233.315 2.132 20 0 BEADMN CC[C@](C)(NCc1sccc1Cl)C(N)=O ZINC000336712906 398205408 /nfs/dbraw/zinc/20/54/08/398205408.db2.gz VHPVDZVNLKAAFC-JTQLQIEISA-N 0 1 246.763 2.145 20 0 BEADMN Cc1cc(NC([O-])=NOCC(C)C)cc[nH+]1 ZINC000120252333 178141036 /nfs/dbraw/zinc/14/10/36/178141036.db2.gz QBEUKRSBTLFNTR-UHFFFAOYSA-N 0 1 223.276 2.099 20 0 BEADMN CCC(=O)CCCN1CC[C@@H](C)[C@H](F)C1 ZINC000649416393 398217543 /nfs/dbraw/zinc/21/75/43/398217543.db2.gz SKVBNCYZXGXAGR-ZYHUDNBSSA-N 0 1 215.312 2.426 20 0 BEADMN CCCCCNC(=O)CN1CC(C)=C[C@@H](C)C1 ZINC000430283507 398225914 /nfs/dbraw/zinc/22/59/14/398225914.db2.gz ZFZVLYZPPYGWTE-GFCCVEGCSA-N 0 1 238.375 2.191 20 0 BEADMN CCCn1ncnc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000580540344 365585331 /nfs/dbraw/zinc/58/53/31/365585331.db2.gz DXXUPJUYZSEAJI-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN Cc1cccc(N2CC[C@](C(=O)[O-])(C(C)C)C2)[nH+]1 ZINC000576403085 365587007 /nfs/dbraw/zinc/58/70/07/365587007.db2.gz PMFKRWSFAQTRIO-CQSZACIVSA-N 0 1 248.326 2.327 20 0 BEADMN CCCc1nc(C)c(CN(CC)CCCO)o1 ZINC000428215450 398222678 /nfs/dbraw/zinc/22/26/78/398222678.db2.gz BAKJIFMAEYGKCQ-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN Cc1cc(N[C@H](CC(C)C)C(=O)[O-])nc(C)[nH+]1 ZINC000043441661 178187438 /nfs/dbraw/zinc/18/74/38/178187438.db2.gz MSJRKKWLVYHJQS-SNVBAGLBSA-N 0 1 237.303 2.005 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CC12CCCC2 ZINC000387121286 398226582 /nfs/dbraw/zinc/22/65/82/398226582.db2.gz KJMXNYIJTPKBRY-NSHDSACASA-N 0 1 234.347 2.281 20 0 BEADMN CC[C@@H]1CN(Cc2cccn2C)C[C@H](CC)O1 ZINC000421392714 192328080 /nfs/dbraw/zinc/32/80/80/192328080.db2.gz RFTZYWODWOTVCZ-OKILXGFUSA-N 0 1 236.359 2.415 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CCCCC2)n1 ZINC000177911643 178202795 /nfs/dbraw/zinc/20/27/95/178202795.db2.gz LYQGKDATVSBQRE-SNVBAGLBSA-N 0 1 221.304 2.038 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2C[C@H]3CCCC[C@H]32)n1 ZINC000368083361 178203098 /nfs/dbraw/zinc/20/30/98/178203098.db2.gz LBAPUQOEIARFOK-IJLUTSLNSA-N 0 1 247.342 2.426 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CCC2CC2)n1 ZINC000192695570 178203255 /nfs/dbraw/zinc/20/32/55/178203255.db2.gz ACIOOBHFGWJFMA-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CCC2CC2)n1 ZINC000192695570 178203258 /nfs/dbraw/zinc/20/32/58/178203258.db2.gz ACIOOBHFGWJFMA-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000192612467 178203760 /nfs/dbraw/zinc/20/37/60/178203760.db2.gz FWKAMTLQWUXJHG-INTQDDNPSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000192612467 178203763 /nfs/dbraw/zinc/20/37/63/178203763.db2.gz FWKAMTLQWUXJHG-INTQDDNPSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC3(CCC3)C2)n1 ZINC000192620756 178204174 /nfs/dbraw/zinc/20/41/74/178204174.db2.gz RFDXPNUJWLMCOF-LLVKDONJSA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC3(CCC3)C2)n1 ZINC000192620756 178204179 /nfs/dbraw/zinc/20/41/79/178204179.db2.gz RFDXPNUJWLMCOF-LLVKDONJSA-N 0 1 247.342 2.428 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@H]2C)o1 ZINC000076115404 398232004 /nfs/dbraw/zinc/23/20/04/398232004.db2.gz VKVLCRUSELZOJA-SECBINFHSA-N 0 1 223.272 2.051 20 0 BEADMN CCCCN(C(=O)CCc1cnc[nH]1)C1CC1 ZINC000276648798 538932950 /nfs/dbraw/zinc/93/29/50/538932950.db2.gz WGCHMRSXCUTNIF-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1cc([C@@H](C)NCC2(C)OCCO2)oc1C ZINC000282429714 178222576 /nfs/dbraw/zinc/22/25/76/178222576.db2.gz YYEIXHIWAYVOHA-SNVBAGLBSA-N 0 1 239.315 2.310 20 0 BEADMN CCc1ncc(CN2C[C@@H](O)CC[C@H]2C)s1 ZINC000421368733 192333203 /nfs/dbraw/zinc/33/32/03/192333203.db2.gz GHKXIMRFLHTIBJ-ZJUUUORDSA-N 0 1 240.372 2.051 20 0 BEADMN Cc1cc([C@@H](C)NCCCCCCO)no1 ZINC000282846736 178224527 /nfs/dbraw/zinc/22/45/27/178224527.db2.gz TUAHLKAPFLKQLO-LLVKDONJSA-N 0 1 226.320 2.186 20 0 BEADMN Cc1cc([C@@H](C)NCCCOC(C)C)no1 ZINC000282676805 178225239 /nfs/dbraw/zinc/22/52/39/178225239.db2.gz JLPZZBDSSBAKKS-LLVKDONJSA-N 0 1 226.320 2.449 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H](O)CC(C)(C)C)no1 ZINC000330492026 178226781 /nfs/dbraw/zinc/22/67/81/178226781.db2.gz IYUHFLNARYBIJF-MNOVXSKESA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(C)C)c(C)o1 ZINC000036794405 178229018 /nfs/dbraw/zinc/22/90/18/178229018.db2.gz NDQOVXMRPQWMEI-ZJUUUORDSA-N 0 1 238.331 2.024 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CO)CC(C)C)no1 ZINC000284118134 178231624 /nfs/dbraw/zinc/23/16/24/178231624.db2.gz NQMPNYJSTIGQCE-GHMZBOCLSA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000629951752 361800565 /nfs/dbraw/zinc/80/05/65/361800565.db2.gz AUBKPYFKNMVEEB-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000334494114 136225943 /nfs/dbraw/zinc/22/59/43/136225943.db2.gz ARZABJFTIKOWLM-PHIMTYICSA-N 0 1 226.364 2.022 20 0 BEADMN CCOC(=O)c1cc(CN(C)[C@@H](C)CC)on1 ZINC000602441753 349527533 /nfs/dbraw/zinc/52/75/33/349527533.db2.gz ZGJMQWCIWCJESI-VIFPVBQESA-N 0 1 240.303 2.082 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2CO)no1 ZINC000330960467 178253197 /nfs/dbraw/zinc/25/31/97/178253197.db2.gz ASISALICRBRVBU-SDDRHHMPSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C2CCC2)c(O)c1 ZINC000629943914 361789658 /nfs/dbraw/zinc/78/96/58/361789658.db2.gz DCJPKIKWOLMUTM-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN Cc1cc([C@H](C)NCCCCF)no1 ZINC000308652219 178247380 /nfs/dbraw/zinc/24/73/80/178247380.db2.gz LJTLORXJRCNFQM-VIFPVBQESA-N 0 1 200.257 2.383 20 0 BEADMN C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC000629961009 361806522 /nfs/dbraw/zinc/80/65/22/361806522.db2.gz GGJHQDXHBJVOIE-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CCC1(CC)CN(CN(C)CC2CC2)C(=O)O1 ZINC000180231313 259306583 /nfs/dbraw/zinc/30/65/83/259306583.db2.gz LHMOCVGBKSFARJ-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CN(C)Cc1ccc(-c2cncn2C)cc1F ZINC000649437701 398239067 /nfs/dbraw/zinc/23/90/67/398239067.db2.gz AWFHFIGAVBLBBH-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)CC1(C)C ZINC000281655256 538938965 /nfs/dbraw/zinc/93/89/65/538938965.db2.gz RTNDRMBELCAESH-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@H](O)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000336776055 398239883 /nfs/dbraw/zinc/23/98/83/398239883.db2.gz DOHSMHVNIGISAC-BDAKNGLRSA-N 0 1 240.372 2.053 20 0 BEADMN CN(C)Cc1ccc(-c2cnn(C)c2)cc1F ZINC000649438208 398239931 /nfs/dbraw/zinc/23/99/31/398239931.db2.gz YQJMMXHYVBISQK-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CCN(Cc1snnc1C)CC1CC1 ZINC000576519180 365616484 /nfs/dbraw/zinc/61/64/84/365616484.db2.gz ASOWQWOLXYOHTL-UHFFFAOYSA-N 0 1 211.334 2.078 20 0 BEADMN CCC(CC)CN[C@@H](C)c1nc(C)no1 ZINC000308929354 168362773 /nfs/dbraw/zinc/36/27/73/168362773.db2.gz JCQIBKKJTUIYAL-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000576495151 365610009 /nfs/dbraw/zinc/61/00/09/365610009.db2.gz LXYIPEVYBKIXPY-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccnc(NC[C@@H](O)CC(C)C)c1 ZINC000230147052 136228072 /nfs/dbraw/zinc/22/80/72/136228072.db2.gz HYRVXDMPNUIITH-NSHDSACASA-N 0 1 208.305 2.209 20 0 BEADMN C[N@@H+](Cc1cccs1)CC1(C(=O)[O-])CC1 ZINC000258901666 349534985 /nfs/dbraw/zinc/53/49/85/349534985.db2.gz LDLINPGIDWGNFN-UHFFFAOYSA-N 0 1 225.313 2.045 20 0 BEADMN Cc1cnc([C@H](C)N2CCC3(CCO3)CC2)cn1 ZINC000576570019 365626529 /nfs/dbraw/zinc/62/65/29/365626529.db2.gz REHJCUKRXPCAHL-LBPRGKRZSA-N 0 1 247.342 2.101 20 0 BEADMN CCC(CC)CNc1ncnc2[nH]cnc21 ZINC000122610468 168366043 /nfs/dbraw/zinc/36/60/43/168366043.db2.gz LQYDRLYHULNKDV-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN C[C@H](NCCOc1ccc(F)cc1)c1ncc[nH]1 ZINC000286193136 538943462 /nfs/dbraw/zinc/94/34/62/538943462.db2.gz RJGCZZGAKVQPLT-JTQLQIEISA-N 0 1 249.289 2.278 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)CN(C)C)C1 ZINC000286435058 538944041 /nfs/dbraw/zinc/94/40/41/538944041.db2.gz SDYAZYNRCSMVAA-TZMCWYRMSA-N 0 1 246.354 2.158 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@@H](C)c2ncc[nH]2)n[nH]1 ZINC000286356772 538944090 /nfs/dbraw/zinc/94/40/90/538944090.db2.gz ZNIHYROCPWNVQN-IUCAKERBSA-N 0 1 248.334 2.063 20 0 BEADMN CCC(O)(CC)CCN[C@H](C)c1ncc[nH]1 ZINC000287311808 538944640 /nfs/dbraw/zinc/94/46/40/538944640.db2.gz FARUZJZXNMMMFU-SNVBAGLBSA-N 0 1 225.336 2.002 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)o1 ZINC000041152930 178332729 /nfs/dbraw/zinc/33/27/29/178332729.db2.gz NOEOWBJFJSRWDR-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN Cc1cc(F)ccc1CNCc1cncn1C ZINC000289999601 538946193 /nfs/dbraw/zinc/94/61/93/538946193.db2.gz YAPQSFMFEWNNIA-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1ccc(-c2n[nH]cc2CN[C@@H](C)CF)o1 ZINC000342206143 178331908 /nfs/dbraw/zinc/33/19/08/178331908.db2.gz RGPNWGKWALGVNU-QMMMGPOBSA-N 0 1 237.278 2.426 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)OC(C)(C)C ZINC000399743850 262844605 /nfs/dbraw/zinc/84/46/05/262844605.db2.gz JYCRGXOOGVDIKS-OUAUKWLOSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1nnc([C@H](C)N2CCCC[C@@H](C)C2)[nH]1 ZINC000334559656 136231276 /nfs/dbraw/zinc/23/12/76/136231276.db2.gz BCMNHNPGZZMLIY-ZJUUUORDSA-N 0 1 222.336 2.296 20 0 BEADMN CC1(CNC(=O)c2[nH]nc3c2CCCC3)CCC1 ZINC000175094795 538949673 /nfs/dbraw/zinc/94/96/73/538949673.db2.gz UHZBKZRFALZMCH-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CC(F)(F)CN[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000378750417 346821951 /nfs/dbraw/zinc/82/19/51/346821951.db2.gz OGBFMPFJOHGPQK-BQBZGAKWSA-N 0 1 247.207 2.341 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1c[nH]cn1 ZINC000092565885 168374185 /nfs/dbraw/zinc/37/41/85/168374185.db2.gz UWADBAJYOUXPMM-UHFFFAOYSA-N 0 1 225.336 2.047 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1 ZINC000045428235 178390945 /nfs/dbraw/zinc/39/09/45/178390945.db2.gz BXSXISOZDJVGAR-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CCCC[N@H+](CC)Cc1ncccc1[O-] ZINC000561945556 323008968 /nfs/dbraw/zinc/00/89/68/323008968.db2.gz VLYFHHXQLHKBRA-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN CCCC[N@@H+](CC)Cc1ncccc1[O-] ZINC000561945556 323008969 /nfs/dbraw/zinc/00/89/69/323008969.db2.gz VLYFHHXQLHKBRA-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cc2[nH]cnc2cc1F ZINC000335111342 136233132 /nfs/dbraw/zinc/23/31/32/136233132.db2.gz GRTUZGCYOAVSQS-OCAPTIKFSA-N 0 1 247.273 2.325 20 0 BEADMN Cc1ccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000336555644 178399634 /nfs/dbraw/zinc/39/96/34/178399634.db2.gz XZDJPIVJFDBHRQ-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN CC(C)C(C)(C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000335330462 136234556 /nfs/dbraw/zinc/23/45/56/136234556.db2.gz CHLDMJDAKYNZET-NWDGAFQWSA-N 0 1 240.391 2.220 20 0 BEADMN NC(=O)c1csc(=N[C@@H]2CCC[C@H](F)C2)[nH]1 ZINC000335381568 136234708 /nfs/dbraw/zinc/23/47/08/136234708.db2.gz WJFIHTDWNGXTJZ-NKWVEPMBSA-N 0 1 243.307 2.141 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000180444206 538958211 /nfs/dbraw/zinc/95/82/11/538958211.db2.gz UAQKSXCEZIJCPM-IUCAKERBSA-N 0 1 247.346 2.172 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1cncc(C)c1 ZINC000181030038 538959687 /nfs/dbraw/zinc/95/96/87/538959687.db2.gz UTWBSJPOFVEFJP-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN CC[C@H]1CCCN(Cc2ncccn2)C1 ZINC000191901911 361839060 /nfs/dbraw/zinc/83/90/60/361839060.db2.gz VIICZIIXMOUJSO-NSHDSACASA-N 0 1 205.305 2.099 20 0 BEADMN CC/C=C/CNCc1cccc(C(=O)OCC)n1 ZINC000600162691 342693630 /nfs/dbraw/zinc/69/36/30/342693630.db2.gz VGBJWXOMFMSFFV-AATRIKPKSA-N 0 1 248.326 2.314 20 0 BEADMN C[N@@H+](Cc1cc2n(n1)CCC2)C1CCCC1 ZINC000649479328 398276795 /nfs/dbraw/zinc/27/67/95/398276795.db2.gz PSNKOWXIXIPPBF-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)C1CCCC1 ZINC000649479328 398276797 /nfs/dbraw/zinc/27/67/97/398276797.db2.gz PSNKOWXIXIPPBF-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CC[C@@H](NC(=O)C1(N(C)C)CC1)[C@H]1CC1(C)C ZINC000616339285 342717747 /nfs/dbraw/zinc/71/77/47/342717747.db2.gz FPEWTGQYNQTNEQ-GHMZBOCLSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649481760 398279729 /nfs/dbraw/zinc/27/97/29/398279729.db2.gz RLZDPFNEDTVQMS-GFCCVEGCSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H](C[N@@H+](C)CCCc1ccsc1)C(=O)[O-] ZINC000583939754 342728962 /nfs/dbraw/zinc/72/89/62/342728962.db2.gz AMPIRCQWARIFLE-SNVBAGLBSA-N 0 1 241.356 2.333 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000399533880 342736074 /nfs/dbraw/zinc/73/60/74/342736074.db2.gz OCEAMDVXRXBYBH-MFKMUULPSA-N 0 1 248.326 2.400 20 0 BEADMN CCC(CC)NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000228075003 168384863 /nfs/dbraw/zinc/38/48/63/168384863.db2.gz LPDWEZOACONXSC-CYBMUJFWSA-N 0 1 234.343 2.300 20 0 BEADMN Cc1ccc(CC[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000082292918 361881416 /nfs/dbraw/zinc/88/14/16/361881416.db2.gz XLJKQBIICIDZAE-UHFFFAOYSA-N 0 1 233.311 2.087 20 0 BEADMN CCC(CC)NC(=O)c1cnccc1N(C)C ZINC000183463873 168387594 /nfs/dbraw/zinc/38/75/94/168387594.db2.gz UJTRNXPWYSDVES-UHFFFAOYSA-N 0 1 235.331 2.066 20 0 BEADMN C[C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC000630003193 361886512 /nfs/dbraw/zinc/88/65/12/361886512.db2.gz WEUVLLJHCNHGLK-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC1(C)CCN([C@@H]2C=CCCC2)CC[S@]1=O ZINC000336303143 342801217 /nfs/dbraw/zinc/80/12/17/342801217.db2.gz RJSQYCSYGVLNFC-MLGOLLRUSA-N 0 1 241.400 2.328 20 0 BEADMN Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1 ZINC000634583414 342801637 /nfs/dbraw/zinc/80/16/37/342801637.db2.gz VONSLIKJIJZICG-LLVKDONJSA-N 0 1 246.335 2.451 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)[C@H](C)CO1 ZINC000607724120 342780652 /nfs/dbraw/zinc/78/06/52/342780652.db2.gz FZMSBMZIQZEMSO-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN O=c1cc(C[C@H]2CCCO2)[nH]n1-c1ccccc1 ZINC000634581763 342798652 /nfs/dbraw/zinc/79/86/52/342798652.db2.gz CSTQOLBMNYTKNK-CYBMUJFWSA-N 0 1 244.294 2.348 20 0 BEADMN O=c1cc(C[C@@H]2CCCO2)[nH]n1-c1ccccc1 ZINC000634581764 342798811 /nfs/dbraw/zinc/79/88/11/342798811.db2.gz CSTQOLBMNYTKNK-ZDUSSCGKSA-N 0 1 244.294 2.348 20 0 BEADMN C[C@@H]1CC[C@H]2C(=O)N(Cc3ccccc3)N=C12 ZINC000634583816 342814536 /nfs/dbraw/zinc/81/45/36/342814536.db2.gz IXTJBLRNPUVVDQ-ZYHUDNBSSA-N 0 1 228.295 2.431 20 0 BEADMN C[C@@H]1CCc2c(=O)n(Cc3ccccc3)[nH]c21 ZINC000634583816 342814537 /nfs/dbraw/zinc/81/45/37/342814537.db2.gz IXTJBLRNPUVVDQ-ZYHUDNBSSA-N 0 1 228.295 2.431 20 0 BEADMN C[C@@H](O)[C@@H](C)N1CC(C)(CC(F)(F)F)C1 ZINC000453039821 488181036 /nfs/dbraw/zinc/18/10/36/488181036.db2.gz PIYAIPZVEGECGO-HTQZYQBOSA-N 0 1 225.254 2.030 20 0 BEADMN CO[C@H]1C[C@@H](CNc2cc(C)ccn2)C1 ZINC000624754042 342824899 /nfs/dbraw/zinc/82/48/99/342824899.db2.gz FSVYGKSVLUNDNH-PHIMTYICSA-N 0 1 206.289 2.227 20 0 BEADMN CCC(CC)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000019844618 168394105 /nfs/dbraw/zinc/39/41/05/168394105.db2.gz CSWVMNLZQDWBQJ-UHFFFAOYSA-N 0 1 208.261 2.380 20 0 BEADMN CO[C@H]1C[C@@H](CNc2cccc(C)n2)C1 ZINC000624755991 342825113 /nfs/dbraw/zinc/82/51/13/342825113.db2.gz UJIFVRUNNRYKEI-PHIMTYICSA-N 0 1 206.289 2.227 20 0 BEADMN Cc1noc(C)c1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190430555 538989335 /nfs/dbraw/zinc/98/93/35/538989335.db2.gz BQNLKBOUQYUOQZ-VIFPVBQESA-N 0 1 240.372 2.476 20 0 BEADMN Cc1cc(CN(C)CCc2cccs2)n(C)n1 ZINC000417816404 398293897 /nfs/dbraw/zinc/29/38/97/398293897.db2.gz TWKQHUGZBDTZKR-UHFFFAOYSA-N 0 1 249.383 2.465 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000341680828 168398215 /nfs/dbraw/zinc/39/82/15/168398215.db2.gz GAIROGAYALBIKF-YPMHNXCESA-N 0 1 240.391 2.269 20 0 BEADMN COCCc1cc(=O)n(-c2cc(C)cc(C)c2)[nH]1 ZINC000634584314 342837377 /nfs/dbraw/zinc/83/73/77/342837377.db2.gz ZGFOUZYRVFQMAG-UHFFFAOYSA-N 0 1 246.310 2.433 20 0 BEADMN CCc1noc(CN[C@@H]2CCC[C@H]2CC)n1 ZINC000381606299 539004754 /nfs/dbraw/zinc/00/47/54/539004754.db2.gz QGOGTWVBAZVTON-NXEZZACHSA-N 0 1 223.320 2.300 20 0 BEADMN CCCN(CC(F)(F)F)C(=O)c1cc(C)[nH]n1 ZINC000069467357 342838466 /nfs/dbraw/zinc/83/84/66/342838466.db2.gz GOOWUCWDGFHJQH-UHFFFAOYSA-N 0 1 249.236 2.133 20 0 BEADMN Cc1noc([C@H](C)NC[C@@]2(C)CCCS2)n1 ZINC000390505933 539022644 /nfs/dbraw/zinc/02/26/44/539022644.db2.gz XAYRBXUQPVLVSL-GZMMTYOYSA-N 0 1 241.360 2.314 20 0 BEADMN CCc1nnc(CN[C@H]2CS[C@H](C)C2)s1 ZINC000391851848 398296790 /nfs/dbraw/zinc/29/67/90/398296790.db2.gz QXFMCVHHTFMGKC-HTQZYQBOSA-N 0 1 243.401 2.084 20 0 BEADMN CCOC(=O)C[N@@H+](CCCF)C1CCCC1 ZINC000151626046 398298180 /nfs/dbraw/zinc/29/81/80/398298180.db2.gz AFCNNPKPDGYJQI-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN CCOC(=O)CN(CCCF)C1CCCC1 ZINC000151626046 398298183 /nfs/dbraw/zinc/29/81/83/398298183.db2.gz AFCNNPKPDGYJQI-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN Cc1nc([C@H](C)Nc2ncc(Cl)s2)n[nH]1 ZINC000389743145 539017275 /nfs/dbraw/zinc/01/72/75/539017275.db2.gz WLGSBHHQJHXMLI-BYPYZUCNSA-N 0 1 243.723 2.396 20 0 BEADMN FC1(F)CCC[C@@H]1N[C@@H]1CCCOCC1 ZINC000389912633 539018522 /nfs/dbraw/zinc/01/85/22/539018522.db2.gz JUECHYOVJBAZJI-ZJUUUORDSA-N 0 1 219.275 2.333 20 0 BEADMN CCC1CCN(CC(=O)NCC(C)(C)C)CC1 ZINC000625097336 342851996 /nfs/dbraw/zinc/85/19/96/342851996.db2.gz VTALWGFAUCNABI-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC(C)[C@@H](NCC(F)F)C1(CO)CCC1 ZINC000382100736 398305495 /nfs/dbraw/zinc/30/54/95/398305495.db2.gz GLULSQXFNSUCTR-SNVBAGLBSA-N 0 1 221.291 2.028 20 0 BEADMN CC[N@@H+](CC/C=C\c1ccccc1)CC(=O)[O-] ZINC000323257986 398307237 /nfs/dbraw/zinc/30/72/37/398307237.db2.gz FCAOUWVOWPBAGD-POHAHGRESA-N 0 1 233.311 2.496 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCc1ccccc1 ZINC000092940231 398307773 /nfs/dbraw/zinc/30/77/73/398307773.db2.gz MYMNNABFFJZYLD-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN COc1cncc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000625152485 342895494 /nfs/dbraw/zinc/89/54/94/342895494.db2.gz PDBUHMXUQLXGIQ-QWRGUYRKSA-N 0 1 235.331 2.248 20 0 BEADMN FC1(F)CCC[C@H]1CSc1cn[nH]n1 ZINC000336255250 398317598 /nfs/dbraw/zinc/31/75/98/398317598.db2.gz FXOAUNLGVKEMPZ-LURJTMIESA-N 0 1 219.260 2.332 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000076110950 342897342 /nfs/dbraw/zinc/89/73/42/342897342.db2.gz ZVIIECGSOHKSOY-NXEZZACHSA-N 0 1 223.320 2.281 20 0 BEADMN C=CCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232781609 342880372 /nfs/dbraw/zinc/88/03/72/342880372.db2.gz DEIBPVUFLCDMFK-ZDUSSCGKSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@H](C)CCNC(=O)CN(CC)C1CC1 ZINC000617638436 398313906 /nfs/dbraw/zinc/31/39/06/398313906.db2.gz NLCHVOGWOUGOQA-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC(=O)CN(C)CCCOc1ccccc1C ZINC000639456297 398313929 /nfs/dbraw/zinc/31/39/29/398313929.db2.gz JLVIFYBSLRSWLA-UHFFFAOYSA-N 0 1 235.327 2.285 20 0 BEADMN CCC[C@](C)(N)c1nc(C(C)(C)C)no1 ZINC000036865052 342912737 /nfs/dbraw/zinc/91/27/37/342912737.db2.gz JEFCFDDJXAWAMO-NSHDSACASA-N 0 1 211.309 2.341 20 0 BEADMN c1snnc1CNCC1CCCCC1 ZINC000036902200 342913127 /nfs/dbraw/zinc/91/31/27/342913127.db2.gz VKSVYJOKRCZRDK-UHFFFAOYSA-N 0 1 211.334 2.208 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634585320 342928431 /nfs/dbraw/zinc/92/84/31/342928431.db2.gz CQDSMKJEUXATRF-ZANVPECISA-N 0 1 244.294 2.444 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CCCCC(=O)[O-] ZINC000037173650 342924056 /nfs/dbraw/zinc/92/40/56/342924056.db2.gz OGILPDZYTVDIGG-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634585318 342928376 /nfs/dbraw/zinc/92/83/76/342928376.db2.gz CQDSMKJEUXATRF-RNCFNFMXSA-N 0 1 244.294 2.444 20 0 BEADMN COc1cncc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000625211654 342914313 /nfs/dbraw/zinc/91/43/13/342914313.db2.gz ZRJZBQAUURDUIN-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CCC[C@H]1CCCN(Cc2cncc(OC)n2)C1 ZINC000625220458 342919548 /nfs/dbraw/zinc/91/95/48/342919548.db2.gz ANBPUPSHCAZBGZ-LBPRGKRZSA-N 0 1 249.358 2.497 20 0 BEADMN CC(C)(C)CN1N=C2c3ccccc3C[C@H]2C1=O ZINC000634587962 342933038 /nfs/dbraw/zinc/93/30/38/342933038.db2.gz DYVBVJLGSGSWIL-GFCCVEGCSA-N 0 1 242.322 2.451 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)[C@@H](C)[C@H](C)O1 ZINC000351654288 136249533 /nfs/dbraw/zinc/24/95/33/136249533.db2.gz YEYILNKHOHTYHH-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN CCCCC[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000037474777 342935971 /nfs/dbraw/zinc/93/59/71/342935971.db2.gz ZWROZLQIOXSHQR-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)[C@@H](C)[C@@H](C)O1 ZINC000351654290 136249702 /nfs/dbraw/zinc/24/97/02/136249702.db2.gz YEYILNKHOHTYHH-FRRDWIJNSA-N 0 1 234.343 2.122 20 0 BEADMN CC[C@@H](NCc1ccc(CO)o1)c1ccncc1 ZINC000174436630 346882019 /nfs/dbraw/zinc/88/20/19/346882019.db2.gz HPWOOXSOKAAKHF-CQSZACIVSA-N 0 1 246.310 2.408 20 0 BEADMN CCN(CC(=O)NCc1cccc(C)c1)C1CC1 ZINC000111199416 398331995 /nfs/dbraw/zinc/33/19/95/398331995.db2.gz XUULCIRLYNOVBI-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@H]2C2CC2)[nH]1 ZINC000602677547 349670822 /nfs/dbraw/zinc/67/08/22/349670822.db2.gz IQOMNAUOGISWHP-ZDUSSCGKSA-N 0 1 248.326 2.176 20 0 BEADMN CCCN1N=C(c2ccc(OC)cc2)CC1=O ZINC000634592572 342946571 /nfs/dbraw/zinc/94/65/71/342946571.db2.gz NTOTWXMYMGPMDY-UHFFFAOYSA-N 0 1 232.283 2.042 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CC3CCCC3)[nH]c21 ZINC000634592135 342943011 /nfs/dbraw/zinc/94/30/11/342943011.db2.gz ZHAJTCZXEPIQOX-MWLCHTKSSA-N 0 1 220.316 2.421 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000133099070 398341260 /nfs/dbraw/zinc/34/12/60/398341260.db2.gz XRNLBOMTYCNLEQ-JTQLQIEISA-N 0 1 235.331 2.405 20 0 BEADMN COC(=O)c1[nH]c(CN2CC[C@H]2C2CC2)cc1C ZINC000602679193 349671817 /nfs/dbraw/zinc/67/18/17/349671817.db2.gz PDFLEFSLAYATKJ-LBPRGKRZSA-N 0 1 248.326 2.094 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@@]1(C)CO ZINC000668738992 488190101 /nfs/dbraw/zinc/19/01/01/488190101.db2.gz HWYMLBSFODNNRA-CABZTGNLSA-N 0 1 243.734 2.383 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634593754 342951461 /nfs/dbraw/zinc/95/14/61/342951461.db2.gz YVLRXVNZBJUTRM-NOZJJQNGSA-N 0 1 244.294 2.444 20 0 BEADMN COC(=O)C1(N(C)CC[C@H](C)F)CCCC1 ZINC000351755362 136251821 /nfs/dbraw/zinc/25/18/21/136251821.db2.gz GBWGITNJCRPBEA-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN Cc1nccc(CN2CC[C@H](OCC(C)C)C2)n1 ZINC000351779058 136253635 /nfs/dbraw/zinc/25/36/35/136253635.db2.gz JCCMMCHMKQUATM-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN CCOC(=O)c1cc(CN(C)C(C)(C)C)on1 ZINC000602695726 349692619 /nfs/dbraw/zinc/69/26/19/349692619.db2.gz HCLRAHBKWAPVIT-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000453397965 488191039 /nfs/dbraw/zinc/19/10/39/488191039.db2.gz ISDDTULNOJVSKU-GMTAPVOTSA-N 0 1 223.320 2.018 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1ncc[nH]1 ZINC000453414081 488191307 /nfs/dbraw/zinc/19/13/07/488191307.db2.gz SLNPSOZOHUZJBZ-SNVBAGLBSA-N 0 1 225.336 2.266 20 0 BEADMN CC1=NN(Cc2ccccc2N(C)C)C(=O)[C@@H]1C ZINC000634595450 342960447 /nfs/dbraw/zinc/96/04/47/342960447.db2.gz BPWLIJJXJJWGOW-SNVBAGLBSA-N 0 1 245.326 2.107 20 0 BEADMN Cc1[nH]n(Cc2ccccc2N(C)C)c(=O)c1C ZINC000634595450 342960448 /nfs/dbraw/zinc/96/04/48/342960448.db2.gz BPWLIJJXJJWGOW-SNVBAGLBSA-N 0 1 245.326 2.107 20 0 BEADMN CC1=NN(Cc2ccccc2N(C)C)C(=O)[C@H]1C ZINC000634595449 342960489 /nfs/dbraw/zinc/96/04/89/342960489.db2.gz BPWLIJJXJJWGOW-JTQLQIEISA-N 0 1 245.326 2.107 20 0 BEADMN Cc1[nH]n(Cc2ccccc2N(C)C)c(=O)c1C ZINC000634595449 342960490 /nfs/dbraw/zinc/96/04/90/342960490.db2.gz BPWLIJJXJJWGOW-JTQLQIEISA-N 0 1 245.326 2.107 20 0 BEADMN CN(CCCCF)CC(=O)Nc1ccccc1 ZINC000351856058 136258016 /nfs/dbraw/zinc/25/80/16/136258016.db2.gz JTMLGZYUIOPZLI-UHFFFAOYSA-N 0 1 238.306 2.307 20 0 BEADMN CC[C@H](C)c1cc(=O)n([C@@H](C)C2CC2)[nH]1 ZINC000634597385 342973763 /nfs/dbraw/zinc/97/37/63/342973763.db2.gz IPFRGFQTKTUESQ-IUCAKERBSA-N 0 1 208.305 2.419 20 0 BEADMN COC1CC(N[C@@H](C)c2ncc(C)s2)C1 ZINC000221235319 536720848 /nfs/dbraw/zinc/72/08/48/536720848.db2.gz GYEGAEJKNKQZHI-IDKOKCKLSA-N 0 1 226.345 2.280 20 0 BEADMN COC1CC(N[C@@H](C)c2nc(C)cs2)C1 ZINC000221066157 536721107 /nfs/dbraw/zinc/72/11/07/536721107.db2.gz UCCZCYLOARILBV-IDKOKCKLSA-N 0 1 226.345 2.280 20 0 BEADMN CCCC1=NN(c2cc(C)ncn2)C(=O)[C@H]1CC ZINC000634600738 342994137 /nfs/dbraw/zinc/99/41/37/342994137.db2.gz QYJCHIRXGMKEBY-JTQLQIEISA-N 0 1 246.314 2.314 20 0 BEADMN CCCN(C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602766902 349722917 /nfs/dbraw/zinc/72/29/17/349722917.db2.gz TXOCCXDHUKGTPI-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CCCCC1=NN(C[C@H]2CCCO2)C(=O)[C@@H]1C ZINC000634598006 342979594 /nfs/dbraw/zinc/97/95/94/342979594.db2.gz BHZJFQSCPVZDCH-GHMZBOCLSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C[C@H]2CCCO2)c(=O)c1C ZINC000634598006 342979596 /nfs/dbraw/zinc/97/95/96/342979596.db2.gz BHZJFQSCPVZDCH-GHMZBOCLSA-N 0 1 238.331 2.190 20 0 BEADMN CC(C)CN1CCOC[C@@H]1c1cccn1C ZINC000162463488 349714281 /nfs/dbraw/zinc/71/42/81/349714281.db2.gz CCPHOKLEMYNDKT-CYBMUJFWSA-N 0 1 222.332 2.054 20 0 BEADMN COCCc1cc(=O)n([C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000634599162 342987285 /nfs/dbraw/zinc/98/72/85/342987285.db2.gz BXUZMVOBAHXLSF-CMPLNLGQSA-N 0 1 238.331 2.190 20 0 BEADMN COCCc1cc(=O)n(C2CCC(C)CC2)[nH]1 ZINC000634599263 342987710 /nfs/dbraw/zinc/98/77/10/342987710.db2.gz DQEOPKIIKQSPSA-UHFFFAOYSA-N 0 1 238.331 2.190 20 0 BEADMN Cc1[nH]n([C@@H]2CCC[C@@H](C)C2)c(=O)c1C ZINC000634599440 342988275 /nfs/dbraw/zinc/98/82/75/342988275.db2.gz IOQGOGMFICBSGV-FXPVBKGRSA-N 0 1 208.305 2.419 20 0 BEADMN CC1=NN(Cc2ccc(F)cc2F)C(=O)[C@H]1C ZINC000634601714 342995113 /nfs/dbraw/zinc/99/51/13/342995113.db2.gz UWCTXQRJZLHXJP-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2ccc(F)cc2F)c(=O)c1C ZINC000634601714 342995114 /nfs/dbraw/zinc/99/51/14/342995114.db2.gz UWCTXQRJZLHXJP-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN CCCCC1=NN(C2CCOCC2)C(=O)[C@H]1C ZINC000634602119 342997281 /nfs/dbraw/zinc/99/72/81/342997281.db2.gz HNBWBQOJBCAZDJ-JTQLQIEISA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C2CCOCC2)c(=O)c1C ZINC000634602119 342997282 /nfs/dbraw/zinc/99/72/82/342997282.db2.gz HNBWBQOJBCAZDJ-JTQLQIEISA-N 0 1 238.331 2.190 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1ccc(C)cc1 ZINC000584029986 342998701 /nfs/dbraw/zinc/99/87/01/342998701.db2.gz BETNMLRJTYDONZ-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN CC1=NN(CC(F)(F)C(F)(F)F)C(=O)[C@@H]1C ZINC000634604936 342999048 /nfs/dbraw/zinc/99/90/48/342999048.db2.gz WLWNRNJJKAPDGD-SCSAIBSYSA-N 0 1 244.163 2.038 20 0 BEADMN Cc1[nH]n(CC(F)(F)C(F)(F)F)c(=O)c1C ZINC000634604936 342999050 /nfs/dbraw/zinc/99/90/50/342999050.db2.gz WLWNRNJJKAPDGD-SCSAIBSYSA-N 0 1 244.163 2.038 20 0 BEADMN CCN(C#N)CCN[C@@H](C)c1ccccc1OC ZINC000602802592 349742635 /nfs/dbraw/zinc/74/26/35/349742635.db2.gz QVYFCMXDPXEKMT-LBPRGKRZSA-N 0 1 247.342 2.149 20 0 BEADMN Cc1noc([C@@H](C)N[C@H]2CCCSCC2)n1 ZINC000668050395 488194898 /nfs/dbraw/zinc/19/48/98/488194898.db2.gz PQJPZSHWBQLRIL-SCZZXKLOSA-N 0 1 241.360 2.314 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2F)[nH]1 ZINC000634607613 343003361 /nfs/dbraw/zinc/00/33/61/343003361.db2.gz CROCTLRDPWODTC-UHFFFAOYSA-N 0 1 220.247 2.324 20 0 BEADMN CC1=NN(Cc2ccccc2F)C(=O)[C@@H]1C ZINC000634608017 343003729 /nfs/dbraw/zinc/00/37/29/343003729.db2.gz OJLFARJGLQXFTD-MRVPVSSYSA-N 0 1 220.247 2.180 20 0 BEADMN Cc1[nH]n(Cc2ccccc2F)c(=O)c1C ZINC000634608017 343003731 /nfs/dbraw/zinc/00/37/31/343003731.db2.gz OJLFARJGLQXFTD-MRVPVSSYSA-N 0 1 220.247 2.180 20 0 BEADMN CC[C@H]1C(=O)N(c2ncc(F)cc2F)N=C1C ZINC000634608639 343004580 /nfs/dbraw/zinc/00/45/80/343004580.db2.gz IOIWLAQLMQNULI-MRVPVSSYSA-N 0 1 239.225 2.109 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccncc3Cl)[nH]c21 ZINC000634608622 343004623 /nfs/dbraw/zinc/00/46/23/343004623.db2.gz IAOWPLJLSGMSSJ-JGVFFNPUSA-N 0 1 249.701 2.484 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000335902377 136259755 /nfs/dbraw/zinc/25/97/55/136259755.db2.gz INLCKOFQHYAEQW-CMPLNLGQSA-N 0 1 233.315 2.205 20 0 BEADMN CCN(Cc1cccs1)[C@H](C)C(=O)N(C)C ZINC000176676767 346914968 /nfs/dbraw/zinc/91/49/68/346914968.db2.gz FHGWGKVRVBUFNO-SNVBAGLBSA-N 0 1 240.372 2.047 20 0 BEADMN O=c1cc(C2CC2)[nH]n1CCc1ccccc1F ZINC000634611905 343008903 /nfs/dbraw/zinc/00/89/03/343008903.db2.gz IJQYAFVVABMAKT-UHFFFAOYSA-N 0 1 246.285 2.367 20 0 BEADMN Cc1[nH]n(-c2cc(F)ccc2C)c(=O)c1C ZINC000634615601 343013877 /nfs/dbraw/zinc/01/38/77/343013877.db2.gz LVFCJSQZLHGVSD-QMMMGPOBSA-N 0 1 220.247 2.493 20 0 BEADMN C[C@@H]1CN([C@@H](C(=O)OC(C)(C)C)C2CC2)[C@H]1C ZINC000602834041 349761043 /nfs/dbraw/zinc/76/10/43/349761043.db2.gz YSZBZSYCQJPDBN-JFGNBEQYSA-N 0 1 239.359 2.447 20 0 BEADMN CCCC(CCC)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000211942034 343017256 /nfs/dbraw/zinc/01/72/56/343017256.db2.gz DOPLJTIVNJUAGR-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CC[C@@H]3C)ccn1 ZINC000634618711 343017695 /nfs/dbraw/zinc/01/76/95/343017695.db2.gz BERWUWGENDWAMB-GZMMTYOYSA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)ccn1 ZINC000634619151 343017938 /nfs/dbraw/zinc/01/79/38/343017938.db2.gz QFXSAROSHYYNKI-UFBFGSQYSA-N 0 1 229.283 2.139 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634619056 343018025 /nfs/dbraw/zinc/01/80/25/343018025.db2.gz NKGISWKVOBKLJQ-VHSXEESVSA-N 0 1 208.305 2.421 20 0 BEADMN Cc1cc(-n2[nH]c(C(C)C)cc2=O)ccn1 ZINC000634619259 343018437 /nfs/dbraw/zinc/01/84/37/343018437.db2.gz TZRCOJRIUQVIEA-UHFFFAOYSA-N 0 1 217.272 2.139 20 0 BEADMN CCCCN(CCC)CC(=O)OCC ZINC000049949314 343019342 /nfs/dbraw/zinc/01/93/42/343019342.db2.gz HDYBAISADXUZFX-UHFFFAOYSA-N 0 1 201.310 2.062 20 0 BEADMN CCC(CC)Cn1[nH]c2c(c1=O)CCC2 ZINC000634621800 343020311 /nfs/dbraw/zinc/02/03/11/343020311.db2.gz PUSPFFGYJBDXKU-SNVBAGLBSA-N 0 1 208.305 2.421 20 0 BEADMN C(C1CCCC1)[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247002507 343021162 /nfs/dbraw/zinc/02/11/62/343021162.db2.gz PRNWDWZCRSXEJI-OLZOCXBDSA-N 0 1 241.400 2.383 20 0 BEADMN CC[C@H](C)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634624048 343024906 /nfs/dbraw/zinc/02/49/06/343024906.db2.gz WPSXOUCQYKBUQH-KXUCPTDWSA-N 0 1 208.305 2.419 20 0 BEADMN CC[C@H](C)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634624048 343024908 /nfs/dbraw/zinc/02/49/08/343024908.db2.gz WPSXOUCQYKBUQH-KXUCPTDWSA-N 0 1 208.305 2.419 20 0 BEADMN CCCCc1cc(=O)n(C23CC(C2)C3)[nH]1 ZINC000634624233 343025874 /nfs/dbraw/zinc/02/58/74/343025874.db2.gz BEKFCFZMRDYNED-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN C[C@H](c1ccncc1)N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634626349 343028059 /nfs/dbraw/zinc/02/80/59/343028059.db2.gz BYNQCOGTUMNMEY-CKYFFXLPSA-N 0 1 243.310 2.387 20 0 BEADMN C[C@H](c1ccncc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634626349 343028060 /nfs/dbraw/zinc/02/80/60/343028060.db2.gz BYNQCOGTUMNMEY-CKYFFXLPSA-N 0 1 243.310 2.387 20 0 BEADMN CCc1cc(=O)n(-c2cccc(F)c2F)[nH]1 ZINC000634614064 343011820 /nfs/dbraw/zinc/01/18/20/343011820.db2.gz QQRAVDVUBWUFPR-UHFFFAOYSA-N 0 1 224.210 2.468 20 0 BEADMN Cc1cc(=O)n(-c2nc(C(F)(F)F)cs2)[nH]1 ZINC000634616060 343012849 /nfs/dbraw/zinc/01/28/49/343012849.db2.gz ZHSDFTKPLRJOCO-UHFFFAOYSA-N 0 1 249.217 2.275 20 0 BEADMN CCN(C#N)CCN1CC[C@H](CC(F)(F)F)C1 ZINC000602816141 349758918 /nfs/dbraw/zinc/75/89/18/349758918.db2.gz APQOBMDXVOLSEY-SNVBAGLBSA-N 0 1 249.280 2.064 20 0 BEADMN CCCc1cc(=O)n([C@@H](C)C(F)(F)F)[nH]1 ZINC000634630831 343041391 /nfs/dbraw/zinc/04/13/91/343041391.db2.gz FRHCEECJZFLWBV-LURJTMIESA-N 0 1 222.210 2.326 20 0 BEADMN CCCc1cc(=O)n([C@H](C)C(F)(F)F)[nH]1 ZINC000634630832 343041714 /nfs/dbraw/zinc/04/17/14/343041714.db2.gz FRHCEECJZFLWBV-ZCFIWIBFSA-N 0 1 222.210 2.326 20 0 BEADMN COCCc1cc(=O)n([C@H]2CCCC2(C)C)[nH]1 ZINC000634625936 343030799 /nfs/dbraw/zinc/03/07/99/343030799.db2.gz RPKSSILWXQDOAE-NSHDSACASA-N 0 1 238.331 2.190 20 0 BEADMN CCc1cc(=O)n([C@@H](C)COc2ccccc2)[nH]1 ZINC000634629626 343031693 /nfs/dbraw/zinc/03/16/93/343031693.db2.gz YFSPHHZQKBZFCO-NSHDSACASA-N 0 1 246.310 2.452 20 0 BEADMN CCCc1[nH]n(-c2cncnc2)c(=O)c1CC ZINC000634628112 343034616 /nfs/dbraw/zinc/03/46/16/343034616.db2.gz RGJLSVMWJQNWKU-SNVBAGLBSA-N 0 1 232.287 2.006 20 0 BEADMN Cc1cc(=O)n([C@@H](C)COc2ccccc2)[nH]1 ZINC000634628791 343035940 /nfs/dbraw/zinc/03/59/40/343035940.db2.gz GKPWGLSZEQCGHW-NSHDSACASA-N 0 1 232.283 2.062 20 0 BEADMN C[C@@H](c1ccncc1)n1[nH]c(C2CC2)cc1=O ZINC000634627110 343037106 /nfs/dbraw/zinc/03/71/06/343037106.db2.gz VTYVRSVQKXDWSS-VIFPVBQESA-N 0 1 229.283 2.141 20 0 BEADMN C[C@@H](n1[nH]c([C@H]2CCOC2)cc1=O)C(C)(C)C ZINC000634629731 343037924 /nfs/dbraw/zinc/03/79/24/343037924.db2.gz AUZWSNMSZCBGEZ-ZJUUUORDSA-N 0 1 238.331 2.046 20 0 BEADMN CCCc1cc(=O)n(-c2ccncc2F)[nH]1 ZINC000634633772 343046490 /nfs/dbraw/zinc/04/64/90/343046490.db2.gz GBSRXQZUPRTPEF-UHFFFAOYSA-N 0 1 221.235 2.114 20 0 BEADMN Cc1csc(CNC[C@H]2CCCCO2)n1 ZINC000038091469 343062074 /nfs/dbraw/zinc/06/20/74/343062074.db2.gz DQAMZRGEHBGKKU-SNVBAGLBSA-N 0 1 226.345 2.110 20 0 BEADMN CC1(CO)CN(Cc2ccc(C(F)F)cc2)C1 ZINC000576837367 365700414 /nfs/dbraw/zinc/70/04/14/365700414.db2.gz MIGSEQJWNKXOHW-UHFFFAOYSA-N 0 1 241.281 2.438 20 0 BEADMN CC(C)n1ncnc1CNC1(C2(C)CC2)CC1 ZINC000398178597 343074031 /nfs/dbraw/zinc/07/40/31/343074031.db2.gz LCKPSJNVXCOVAC-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cn1 ZINC000336626984 136264683 /nfs/dbraw/zinc/26/46/83/136264683.db2.gz XSCAKKHCGZFMDV-ZDUSSCGKSA-N 0 1 231.343 2.185 20 0 BEADMN CCc1ncc(C[N@@H+](C)CCCOC)s1 ZINC000067402279 362020619 /nfs/dbraw/zinc/02/06/19/362020619.db2.gz QGZNKROUHFMRLI-UHFFFAOYSA-N 0 1 228.361 2.174 20 0 BEADMN CCc1ncc(CN(C)CCCOC)s1 ZINC000067402279 362020624 /nfs/dbraw/zinc/02/06/24/362020624.db2.gz QGZNKROUHFMRLI-UHFFFAOYSA-N 0 1 228.361 2.174 20 0 BEADMN CCC(C)(C)CCNC(=O)CN(C)C1CCC1 ZINC000640895280 362070191 /nfs/dbraw/zinc/07/01/91/362070191.db2.gz LCTMCQQCIIQXJK-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN C=CCCCCC[N@H+](CC(=O)[O-])C1CC1 ZINC000236426980 343097465 /nfs/dbraw/zinc/09/74/65/343097465.db2.gz SXHIFKMAQHJNHJ-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN C=CCCCCC[N@@H+]1CCSC[C@H]1C(=O)[O-] ZINC000236434644 343097536 /nfs/dbraw/zinc/09/75/36/343097536.db2.gz VLDPSBGJLYHYLK-NSHDSACASA-N 0 1 243.372 2.235 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000141803709 343101281 /nfs/dbraw/zinc/10/12/81/343101281.db2.gz NTTZXMPXQHHOHG-LLVKDONJSA-N 0 1 225.288 2.211 20 0 BEADMN C[C@H](Cc1nc(C2(N)CCC2)no1)c1ccco1 ZINC000634556420 362046225 /nfs/dbraw/zinc/04/62/25/362046225.db2.gz RVVJMIQOEPNBMP-SECBINFHSA-N 0 1 247.298 2.347 20 0 BEADMN C[S@@](=O)c1ccc(CNCC2(F)CC2)cc1 ZINC000309917697 343093741 /nfs/dbraw/zinc/09/37/41/343093741.db2.gz QFVNFVKGFSANJG-MRXNPFEDSA-N 0 1 241.331 2.016 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1scnc1C1CC1 ZINC000309913425 343094603 /nfs/dbraw/zinc/09/46/03/343094603.db2.gz OBTXAVWCNGUBEO-NXEZZACHSA-N 0 1 238.356 2.288 20 0 BEADMN CCNCc1cn(Cc2ccc(C)cc2C)nn1 ZINC000640945167 362092016 /nfs/dbraw/zinc/09/20/16/362092016.db2.gz RKJVRZSRHJLBDW-UHFFFAOYSA-N 0 1 244.342 2.053 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NCc2ccon2)CCO1 ZINC000634680186 343147372 /nfs/dbraw/zinc/14/73/72/343147372.db2.gz NGAIBLGGFAEETM-PWSUYJOCSA-N 0 1 238.331 2.358 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000028835293 343133633 /nfs/dbraw/zinc/13/36/33/343133633.db2.gz MBOYLDLNNCPHKS-UWVGGRQHSA-N 0 1 235.331 2.090 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000247214688 343180451 /nfs/dbraw/zinc/18/04/51/343180451.db2.gz CNQQNRMJNQVNAF-WDEREUQCSA-N 0 1 221.304 2.143 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@@H]1C ZINC000130277052 343180907 /nfs/dbraw/zinc/18/09/07/343180907.db2.gz TVDLWEDQNSGPRY-ZJUUUORDSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762034 343157029 /nfs/dbraw/zinc/15/70/29/343157029.db2.gz WMAUPZKXLBBSIL-PHIMTYICSA-N 0 1 248.326 2.258 20 0 BEADMN Cc1cccnc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000161042351 343204271 /nfs/dbraw/zinc/20/42/71/343204271.db2.gz IHARKSKTQYDUOL-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)[C@H](C(=O)[O-])C1 ZINC000167813286 343209448 /nfs/dbraw/zinc/20/94/48/343209448.db2.gz LUEVQOMLURYHEO-WOPDTQHZSA-N 0 1 223.316 2.280 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000165967846 343212467 /nfs/dbraw/zinc/21/24/67/343212467.db2.gz CHNFQODLGYSOOG-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCc3c2cnn3C)o1 ZINC000030908730 343213059 /nfs/dbraw/zinc/21/30/59/343213059.db2.gz BTAZSRWIRXAAJE-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000166409564 343213136 /nfs/dbraw/zinc/21/31/36/343213136.db2.gz KVSUJUCJOXPIIS-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN CC1(C)CCN(C(=O)c2coc(CN)c2)CC1 ZINC000334147799 343215765 /nfs/dbraw/zinc/21/57/65/343215765.db2.gz WNRANIOARFKSKE-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)C[C@@H]1CCCO1 ZINC000132573629 343188650 /nfs/dbraw/zinc/18/86/50/343188650.db2.gz GLYAJSSNQFKNNL-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccccc1F ZINC000032014938 343228536 /nfs/dbraw/zinc/22/85/36/343228536.db2.gz MDAGNCVJQZVGKI-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CCO[C@H](C[N@H+]1CC[C@H](C)[C@@H](F)C1)C1CC1 ZINC000625314295 343231092 /nfs/dbraw/zinc/23/10/92/343231092.db2.gz OAUVRBUMFHBJPR-WCFLWFBJSA-N 0 1 229.339 2.481 20 0 BEADMN COc1cncc(CN2C[C@@H](C)CC(C)(C)C2)n1 ZINC000625315584 343231537 /nfs/dbraw/zinc/23/15/37/343231537.db2.gz VIZGWTLUCQVVLE-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000625340448 343240745 /nfs/dbraw/zinc/24/07/45/343240745.db2.gz CHHXKJGNSYAJDT-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](C)CN(CC)CC(=O)OCC ZINC000051323726 343255719 /nfs/dbraw/zinc/25/57/19/343255719.db2.gz DJVFCYNJOJFQDI-NSHDSACASA-N 0 1 215.337 2.308 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000051770434 343259708 /nfs/dbraw/zinc/25/97/08/343259708.db2.gz AYGFBBCQGYXDJY-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN CCC(C)(C)CCn1cc([C@H](C)NC)nn1 ZINC000641049009 362160185 /nfs/dbraw/zinc/16/01/85/362160185.db2.gz FJKBOOXBQWAKGN-JTQLQIEISA-N 0 1 224.352 2.385 20 0 BEADMN COC(=O)[C@@]1(C)CCCN1Cc1ccccc1 ZINC000034483174 343272359 /nfs/dbraw/zinc/27/23/59/343272359.db2.gz HBBZMEYAYAZNCY-CQSZACIVSA-N 0 1 233.311 2.214 20 0 BEADMN CC(C)c1nc(CN[C@@H](C)[C@@H](C)CO)cs1 ZINC000164322658 136292290 /nfs/dbraw/zinc/29/22/90/136292290.db2.gz SFJCGKGYQRINAK-UWVGGRQHSA-N 0 1 242.388 2.373 20 0 BEADMN CC[C@H](C)NC(=O)CN(C)CCc1ccccc1 ZINC000051998368 343281933 /nfs/dbraw/zinc/28/19/33/343281933.db2.gz LSOSOBGYYMGWCI-ZDUSSCGKSA-N 0 1 248.370 2.076 20 0 BEADMN COC(=O)CCN[C@@H](C)c1ccc(F)cc1F ZINC000036803967 343324076 /nfs/dbraw/zinc/32/40/76/343324076.db2.gz HESIDSWNAASMGL-QMMMGPOBSA-N 0 1 243.253 2.179 20 0 BEADMN COCc1ccccc1NCc1cn[nH]c1C ZINC000036939100 343328418 /nfs/dbraw/zinc/32/84/18/343328418.db2.gz ANUONZMMRORJRW-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000070613719 343334262 /nfs/dbraw/zinc/33/42/62/343334262.db2.gz YRQFYKNPJATLPQ-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](c1ccc(F)cc1)n1cc(CNC)nn1 ZINC000641059413 362168938 /nfs/dbraw/zinc/16/89/38/362168938.db2.gz OZSSTRRAJSSUPS-ZDUSSCGKSA-N 0 1 248.305 2.136 20 0 BEADMN C[C@@H](NCCC(F)(F)F)c1cnccn1 ZINC000070025847 343295858 /nfs/dbraw/zinc/29/58/58/343295858.db2.gz QSOYUYLPMAPCNR-SSDOTTSWSA-N 0 1 219.210 2.080 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000177560666 346932762 /nfs/dbraw/zinc/93/27/62/346932762.db2.gz YJVJISARJQQYQY-PHIMTYICSA-N 0 1 221.304 2.000 20 0 BEADMN COC(=O)c1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348742030 136295700 /nfs/dbraw/zinc/29/57/00/136295700.db2.gz SYEKVJBOQVYBOJ-UHFFFAOYSA-N 0 1 249.310 2.298 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037853551 343358258 /nfs/dbraw/zinc/35/82/58/343358258.db2.gz FOZDHEUJFQMVMB-UHFFFAOYSA-N 0 1 233.720 2.308 20 0 BEADMN CCOc1ccccc1CNCc1c[nH]nc1C ZINC000037989194 343364484 /nfs/dbraw/zinc/36/44/84/343364484.db2.gz OWWKMGSGUKGOOG-UHFFFAOYSA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(CN)o1 ZINC000335627477 136299925 /nfs/dbraw/zinc/29/99/25/136299925.db2.gz FEIDOKNQJKMDTR-SNVBAGLBSA-N 0 1 248.326 2.143 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc2cccc(C)n12 ZINC000348837118 136301858 /nfs/dbraw/zinc/30/18/58/136301858.db2.gz GXSBBEDCQZWBQD-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN c1csc(CN2CC[C@]3(C2)CCCOC3)n1 ZINC000367062541 136302631 /nfs/dbraw/zinc/30/26/31/136302631.db2.gz NUWBGOLXWIBAJW-LBPRGKRZSA-N 0 1 238.356 2.146 20 0 BEADMN Cc1noc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)n1 ZINC000335673488 136317524 /nfs/dbraw/zinc/31/75/24/136317524.db2.gz KKROGNXQBQVFRJ-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000335673488 136317525 /nfs/dbraw/zinc/31/75/25/136317525.db2.gz KKROGNXQBQVFRJ-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1cnc(CN2CC[C@H](C(C)C)C2)o1 ZINC000335674765 136317716 /nfs/dbraw/zinc/31/77/16/136317716.db2.gz PMHIQPLVYIYLKL-NSHDSACASA-N 0 1 208.305 2.461 20 0 BEADMN Cn1cc(CN2CCC[C@]3(CC=CCC3)C2)nn1 ZINC000335665816 136316898 /nfs/dbraw/zinc/31/68/98/136316898.db2.gz FQLGPRZEOOVUKC-CQSZACIVSA-N 0 1 246.358 2.137 20 0 BEADMN CC(C)COC1CCN(Cc2cn[nH]c2)CC1 ZINC000678198083 488216572 /nfs/dbraw/zinc/21/65/72/488216572.db2.gz WIRFPSWCFBMWLM-UHFFFAOYSA-N 0 1 237.347 2.047 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H](C)CCC[C@H]2C)[nH]1 ZINC000335734534 136349722 /nfs/dbraw/zinc/34/97/22/136349722.db2.gz RLFAFRFSVIXZAA-VHSXEESVSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(Cc3ccn(C)n3)C2)C1 ZINC000335737107 136350641 /nfs/dbraw/zinc/35/06/41/136350641.db2.gz SZZIGVNYCJRJPW-OCCSQVGLSA-N 0 1 233.359 2.432 20 0 BEADMN CCNCc1cn(C[C@@H]2CCCC[C@@H]2C)nn1 ZINC000641087946 362210262 /nfs/dbraw/zinc/21/02/62/362210262.db2.gz KKTFYYZWBJKZSO-RYUDHWBXSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(Cc3nccn3C)C2)C1 ZINC000335736780 136350885 /nfs/dbraw/zinc/35/08/85/136350885.db2.gz AKFZFZBVEDMDGO-GXTWGEPZSA-N 0 1 233.359 2.432 20 0 BEADMN CCNCc1cn(C[C@H]2CCCC[C@H]2C)nn1 ZINC000641087948 362210341 /nfs/dbraw/zinc/21/03/41/362210341.db2.gz KKTFYYZWBJKZSO-VXGBXAGGSA-N 0 1 236.363 2.214 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@H]2C)c1C ZINC000335737980 136351290 /nfs/dbraw/zinc/35/12/90/136351290.db2.gz SENJCIVCTLEBAE-KCJUWKMLSA-N 0 1 235.331 2.193 20 0 BEADMN CC(C)n1cc(C[N@H+]2CCC[C@H](C)CC2)nn1 ZINC000335739119 136351452 /nfs/dbraw/zinc/35/14/52/136351452.db2.gz LEBCUPINKYOJIG-LBPRGKRZSA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)n1cc(CN2CCC[C@H](C)CC2)nn1 ZINC000335739119 136351453 /nfs/dbraw/zinc/35/14/53/136351453.db2.gz LEBCUPINKYOJIG-LBPRGKRZSA-N 0 1 236.363 2.481 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCCC2(C)C)c1C ZINC000335685024 136329904 /nfs/dbraw/zinc/32/99/04/136329904.db2.gz PARDFMOKGJHUOT-JTQLQIEISA-N 0 1 235.331 2.335 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1ncnn1C(C)(C)C ZINC000335702592 136334254 /nfs/dbraw/zinc/33/42/54/136334254.db2.gz BQXGQCHTXWCWRX-WDEREUQCSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@H](CO)N(C)Cc1cnc(C2CCC2)s1 ZINC000349289613 136336387 /nfs/dbraw/zinc/33/63/87/136336387.db2.gz WMGYILLGUSHVLJ-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000335719019 136340444 /nfs/dbraw/zinc/34/04/44/136340444.db2.gz PGUBMDKTHXJBDJ-RYUDHWBXSA-N 0 1 217.316 2.017 20 0 BEADMN CN(C(=O)c1cnc[nH]1)[C@H]1CCC(C)(C)C1 ZINC000335843186 136354747 /nfs/dbraw/zinc/35/47/47/136354747.db2.gz JYDBDVOYVAQPRF-VIFPVBQESA-N 0 1 221.304 2.060 20 0 BEADMN c1ccc([C@H]2COCCN2C[C@@H]2CCOC2)cc1 ZINC000335896767 136359354 /nfs/dbraw/zinc/35/93/54/136359354.db2.gz LUSUEYHIHMRMCG-DZGCQCFKSA-N 0 1 247.338 2.096 20 0 BEADMN CC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000043561569 343477944 /nfs/dbraw/zinc/47/79/44/343477944.db2.gz UOOLIKCEMNZZHM-UHFFFAOYSA-N 0 1 219.332 2.286 20 0 BEADMN CN(C)C1(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000616527119 343491585 /nfs/dbraw/zinc/49/15/85/343491585.db2.gz ADTRRQCYZIMOTN-WDEREUQCSA-N 0 1 238.375 2.022 20 0 BEADMN CCC1(C)CCN(Cc2ccc(OC)nn2)CC1 ZINC000283416042 168445538 /nfs/dbraw/zinc/44/55/38/168445538.db2.gz FPWHVGQEXANYAO-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NCc1csnn1 ZINC000083863615 343506999 /nfs/dbraw/zinc/50/69/99/343506999.db2.gz RRBKBFVGZAPLTE-RKDXNWHRSA-N 0 1 213.350 2.452 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000624222840 343510935 /nfs/dbraw/zinc/51/09/35/343510935.db2.gz HHCFWKABNGQDLM-WCFLWFBJSA-N 0 1 247.342 2.003 20 0 BEADMN CCc1nc(CN[C@@H]2CCSC2)cs1 ZINC000230705044 343514098 /nfs/dbraw/zinc/51/40/98/343514098.db2.gz UHWGNAQRMPPTRN-MRVPVSSYSA-N 0 1 228.386 2.301 20 0 BEADMN CCC[C@@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000568165310 343557567 /nfs/dbraw/zinc/55/75/67/343557567.db2.gz KTNUYDZANXDEID-VXGBXAGGSA-N 0 1 248.374 2.462 20 0 BEADMN CCC[C@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000568165307 343557589 /nfs/dbraw/zinc/55/75/89/343557589.db2.gz KTNUYDZANXDEID-NEPJUHHUSA-N 0 1 248.374 2.462 20 0 BEADMN CCn1ccnc1CNC[C@H](CC(C)C)OC ZINC000584102797 343557993 /nfs/dbraw/zinc/55/79/93/343557993.db2.gz QAGPQDYSQVOLQY-LBPRGKRZSA-N 0 1 239.363 2.054 20 0 BEADMN CCc1nnc(SC[C@@H]2CCC[C@@H](O)C2)[nH]1 ZINC000488229379 529744460 /nfs/dbraw/zinc/74/44/60/529744460.db2.gz GQQSFDPWJUOHOZ-RKDXNWHRSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000488229379 529744461 /nfs/dbraw/zinc/74/44/61/529744461.db2.gz GQQSFDPWJUOHOZ-RKDXNWHRSA-N 0 1 241.360 2.010 20 0 BEADMN CSCCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000083406605 343596838 /nfs/dbraw/zinc/59/68/38/343596838.db2.gz FJQWALMHXOHADH-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000580582380 365792226 /nfs/dbraw/zinc/79/22/26/365792226.db2.gz NYUFRCJTKRMKRT-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)c1ccc2cncn2c1 ZINC000620076554 343636490 /nfs/dbraw/zinc/63/64/90/343636490.db2.gz SSQQJHSEVLKEGT-CQSZACIVSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@H](NCc1ccc[nH]c1=O)c1ccoc1 ZINC000624258900 343626238 /nfs/dbraw/zinc/62/62/38/343626238.db2.gz XCSQRBKKHNCXJJ-VIFPVBQESA-N 0 1 218.256 2.231 20 0 BEADMN Cc1n[nH]cc1CN(C)CCSC(C)C ZINC000602939680 349825137 /nfs/dbraw/zinc/82/51/37/349825137.db2.gz BVVCWOKJYBEEOY-UHFFFAOYSA-N 0 1 227.377 2.292 20 0 BEADMN C[C@H]1CCC[C@@H](CCN2CCn3nncc3C2)C1 ZINC000580580248 365790932 /nfs/dbraw/zinc/79/09/32/365790932.db2.gz DUVYQVQRMIRPPP-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN CC1CCC(C[N@@H+](C)CCC(=O)[O-])CC1 ZINC000083825873 343675882 /nfs/dbraw/zinc/67/58/82/343675882.db2.gz AEZDYLNPNNCQCN-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CO[C@H]1C[C@H](N[C@H]2CCCc3scnc32)C1 ZINC000624300840 343678832 /nfs/dbraw/zinc/67/88/32/343678832.db2.gz SQEXYVSXYZQCFR-GUBZILKMSA-N 0 1 238.356 2.288 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000087689687 343657893 /nfs/dbraw/zinc/65/78/93/343657893.db2.gz CFUZNEAEQOZWFK-MXWKQRLJSA-N 0 1 238.356 2.115 20 0 BEADMN Fc1ccc(OCCN2CCSCC2)cc1 ZINC000047993863 343690685 /nfs/dbraw/zinc/69/06/85/343690685.db2.gz KKJBXNPREFKCKJ-UHFFFAOYSA-N 0 1 241.331 2.253 20 0 BEADMN CCCC1(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000570343085 323056714 /nfs/dbraw/zinc/05/67/14/323056714.db2.gz ONGFHYFZKQHYLT-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN C(=C/c1ccccc1)\CN1CCc2nc[nH]c2C1 ZINC000625437827 343740089 /nfs/dbraw/zinc/74/00/89/343740089.db2.gz JBWYNHMSBUJLAE-QPJJXVBHSA-N 0 1 239.322 2.481 20 0 BEADMN CCOC(=O)CN(CCC1CC1)C(C)C ZINC000088493458 343726018 /nfs/dbraw/zinc/72/60/18/343726018.db2.gz GFWZEXRBOYCADU-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CCCCNC(=O)CN(CC)Cc1ccccc1 ZINC000061758302 343728702 /nfs/dbraw/zinc/72/87/02/343728702.db2.gz ZSJKUOUMPGZHAB-UHFFFAOYSA-N 0 1 248.370 2.425 20 0 BEADMN CC[C@@H](N[C@@H]1CCOC1)c1nc(C)cs1 ZINC000088715649 343729696 /nfs/dbraw/zinc/72/96/96/343729696.db2.gz LQRVHWPHYFSFOW-NXEZZACHSA-N 0 1 226.345 2.281 20 0 BEADMN C[C@@H](NC(=O)CN1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000625448766 343774552 /nfs/dbraw/zinc/77/45/52/343774552.db2.gz POJJNZQYZFNUDH-YNEHKIRRSA-N 0 1 246.354 2.204 20 0 BEADMN COC(=O)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999527 349852277 /nfs/dbraw/zinc/85/22/77/349852277.db2.gz JYYWBSKVKDVGRF-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN COC(=O)CN1CCC[C@@H](C2CCC2)CC1 ZINC000602999527 349852280 /nfs/dbraw/zinc/85/22/80/349852280.db2.gz JYYWBSKVKDVGRF-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN CCc1noc(CN(CC)[C@H](C)C(C)C)n1 ZINC000065298833 343775614 /nfs/dbraw/zinc/77/56/14/343775614.db2.gz MNRWZQLSXNEAHD-SNVBAGLBSA-N 0 1 225.336 2.498 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cc(C(C)C)no1 ZINC000167737126 537810064 /nfs/dbraw/zinc/81/00/64/537810064.db2.gz GISMTTYHXQVKRH-UWVGGRQHSA-N 0 1 226.320 2.311 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC(C)(C)C[C@@H]1C ZINC000584121258 343761895 /nfs/dbraw/zinc/76/18/95/343761895.db2.gz GGFJXQLHMDHHTM-VHSXEESVSA-N 0 1 234.347 2.071 20 0 BEADMN CC1(C)COC[C@H]1NCc1cccc(F)c1F ZINC000313060539 343784027 /nfs/dbraw/zinc/78/40/27/343784027.db2.gz HDAOTLBPGAGTMW-LLVKDONJSA-N 0 1 241.281 2.479 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000226445615 343793730 /nfs/dbraw/zinc/79/37/30/343793730.db2.gz ZPHIYFCOLKZQEB-WCQYABFASA-N 0 1 233.311 2.197 20 0 BEADMN CC1(C)COC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000313078722 343854452 /nfs/dbraw/zinc/85/44/52/343854452.db2.gz LGVHNKHYDFBOCN-LBPRGKRZSA-N 0 1 245.326 2.078 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@H]2C(C)C)n1 ZINC000336683743 537826753 /nfs/dbraw/zinc/82/67/53/537826753.db2.gz SNCCCBVRHUXPOI-JMJZKYOTSA-N 0 1 223.320 2.463 20 0 BEADMN CN(Cc1coc2ccccc12)Cc1nnc[nH]1 ZINC000179792017 346997087 /nfs/dbraw/zinc/99/70/87/346997087.db2.gz HFSORWDZQHCPTA-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](CC(=O)NCC(C)(C)C)[C@H]1C ZINC000625473351 343872958 /nfs/dbraw/zinc/87/29/58/343872958.db2.gz UHHBQZWWBJUQBI-UTUOFQBUSA-N 0 1 240.391 2.125 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@@H]2C(C)C)n1 ZINC000336683733 537827515 /nfs/dbraw/zinc/82/75/15/537827515.db2.gz SNCCCBVRHUXPOI-GDPRMGEGSA-N 0 1 223.320 2.463 20 0 BEADMN NC(=O)c1cccc(CN2CC(CC3CC3)C2)c1 ZINC000621740591 343886118 /nfs/dbraw/zinc/88/61/18/343886118.db2.gz YHRRLFSBWQURFC-UHFFFAOYSA-N 0 1 244.338 2.017 20 0 BEADMN CCc1nc(CNCc2cccc(C)c2C)n[nH]1 ZINC000296131862 343900551 /nfs/dbraw/zinc/90/05/51/343900551.db2.gz UPCSPJISEQTWEB-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN COCc1nc(CN[C@H]2CC2(C)C)cs1 ZINC000393631003 343903629 /nfs/dbraw/zinc/90/36/29/343903629.db2.gz OBYSACKGBUARKA-VIFPVBQESA-N 0 1 226.345 2.178 20 0 BEADMN CN(CN1CC(C)(C)OC1=O)CC(C)(C)C ZINC000495733654 529940950 /nfs/dbraw/zinc/94/09/50/529940950.db2.gz YAXBZFGDHMDNFE-UHFFFAOYSA-N 0 1 228.336 2.153 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCC12CCCC2 ZINC000625509991 343913582 /nfs/dbraw/zinc/91/35/82/343913582.db2.gz GKFCNXYKTVIZPR-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)[C@@H](O)CCN[C@H](C)c1nccs1 ZINC000091728184 343951291 /nfs/dbraw/zinc/95/12/91/343951291.db2.gz ASKBJBUOZHBAMQ-ZJUUUORDSA-N 0 1 228.361 2.201 20 0 BEADMN CCNCc1cn([C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000641232704 362285168 /nfs/dbraw/zinc/28/51/68/362285168.db2.gz JXBUMGCOZNBMLV-UONOGXRCSA-N 0 1 242.326 2.116 20 0 BEADMN Cn1ncnc1CN1CC(C)(C)CCC1(C)C ZINC000625722957 344056624 /nfs/dbraw/zinc/05/66/24/344056624.db2.gz HIBPSNUIHLVABP-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN CC1(C)CCC(C)(C)N(Cc2nccc(N)n2)C1 ZINC000625723899 344056944 /nfs/dbraw/zinc/05/69/44/344056944.db2.gz XTCHKBHYZCQLAL-UHFFFAOYSA-N 0 1 248.374 2.290 20 0 BEADMN Cn1cc(CN2CC(C)(C)CCC2(C)C)nn1 ZINC000625723706 344057007 /nfs/dbraw/zinc/05/70/07/344057007.db2.gz TZEQDBXQLDJUSX-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN CO[C@H](CN1Cc2ccc(O)cc2C1)C1CC1 ZINC000625728545 344060144 /nfs/dbraw/zinc/06/01/44/344060144.db2.gz XPONRMWHPBLNBS-CQSZACIVSA-N 0 1 233.311 2.133 20 0 BEADMN Cc1ncc(CN2CCCC(F)(F)CC2)cn1 ZINC000625769347 344070030 /nfs/dbraw/zinc/07/00/30/344070030.db2.gz GNCGGXWCTUIFEP-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN Cc1cc(CN(C2CC2)C2CC2)nc(C)n1 ZINC000625842621 344093589 /nfs/dbraw/zinc/09/35/89/344093589.db2.gz SWRGCHXCLIBTBN-UHFFFAOYSA-N 0 1 217.316 2.220 20 0 BEADMN Cc1nc(CN(C[C@H]2CCOC2)C2CC2)[nH]c1C ZINC000628131120 344161033 /nfs/dbraw/zinc/16/10/33/344161033.db2.gz RKUQTJSLMYNWTD-GFCCVEGCSA-N 0 1 249.358 2.027 20 0 BEADMN CC[N@@H+](CCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000308408950 344210339 /nfs/dbraw/zinc/21/03/39/344210339.db2.gz ASFVNAMQNXENMG-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000130700865 344223936 /nfs/dbraw/zinc/22/39/36/344223936.db2.gz FAQSAQZSGNGIMG-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1nc(CN(C)[C@H](C)C2CC2)[nH]c1C ZINC000628137689 344261264 /nfs/dbraw/zinc/26/12/64/344261264.db2.gz NZPVTQCGCYJFID-SNVBAGLBSA-N 0 1 207.321 2.257 20 0 BEADMN CCC[C@@H](CCO)Nc1ccnc(C)c1Cl ZINC000631427637 344271892 /nfs/dbraw/zinc/27/18/92/344271892.db2.gz OSOLYKVNEGAUSE-JTQLQIEISA-N 0 1 242.750 2.428 20 0 BEADMN CS[C@H]1CCC[C@H](NCc2csnn2)C1 ZINC000133188028 344315165 /nfs/dbraw/zinc/31/51/65/344315165.db2.gz GFIYXWKWQIQAMP-WPRPVWTQSA-N 0 1 243.401 2.302 20 0 BEADMN CCCn1ncnc1CN1CCCC[C@@H](C)C1 ZINC000447881768 201744623 /nfs/dbraw/zinc/74/46/23/201744623.db2.gz MMUBSXFHHIKZNJ-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1ncnc1CN(C)C1(C)CCCC1 ZINC000447876990 201744890 /nfs/dbraw/zinc/74/48/90/201744890.db2.gz GKZOUMAVWYTERJ-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCCN(Cc1nccc(C)n1)C(C)C ZINC000584300494 344437296 /nfs/dbraw/zinc/43/72/96/344437296.db2.gz SJTPLQOLUGRITB-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2ccsc2)[nH]1 ZINC000600931513 344399495 /nfs/dbraw/zinc/39/94/95/344399495.db2.gz CZCKROXAOGCYOH-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000228308833 259375905 /nfs/dbraw/zinc/37/59/05/259375905.db2.gz BCRXRLIIZSQRCQ-JTQLQIEISA-N 0 1 223.247 2.060 20 0 BEADMN CN(CCCCO)Cc1ccccc1F ZINC000042436830 344453283 /nfs/dbraw/zinc/45/32/83/344453283.db2.gz ZUAPCMOAVSNPAC-UHFFFAOYSA-N 0 1 211.280 2.030 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000042493561 344455212 /nfs/dbraw/zinc/45/52/12/344455212.db2.gz BRLKMIAHHJWEBZ-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ccoc1C(=O)[O-] ZINC000381445617 344507353 /nfs/dbraw/zinc/50/73/53/344507353.db2.gz AXWVNMCYVYPWGP-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H]1CCC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000037253035 344497593 /nfs/dbraw/zinc/49/75/93/344497593.db2.gz ZFMZDMSQNXUVEM-DTWKUNHWSA-N 0 1 231.303 2.344 20 0 BEADMN CO[C@H](C)CN(Cc1snnc1C)C(C)C ZINC000577283484 344514735 /nfs/dbraw/zinc/51/47/35/344514735.db2.gz ZEUZINCVZISQHJ-SECBINFHSA-N 0 1 243.376 2.092 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381557102 344521545 /nfs/dbraw/zinc/52/15/45/344521545.db2.gz VTECWOYCWRABDH-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN N#Cc1ccc2c(c1)CCC[C@@H]2NCCF ZINC000381617331 344526836 /nfs/dbraw/zinc/52/68/36/344526836.db2.gz ZNCXNMORYSWBCG-ZDUSSCGKSA-N 0 1 218.275 2.495 20 0 BEADMN CCCCN([C@H](C)C(=O)OCC)C1CC1 ZINC000043638758 344528782 /nfs/dbraw/zinc/52/87/82/344528782.db2.gz AARVPMVPSXQRHT-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000043628872 344528836 /nfs/dbraw/zinc/52/88/36/344528836.db2.gz BHEJDCPOTHPKRK-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000043628874 344528850 /nfs/dbraw/zinc/52/88/50/344528850.db2.gz BHEJDCPOTHPKRK-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)N[C@H](C)C(F)F ZINC001638788659 1172044212 /nfs/dbraw/zinc/04/42/12/1172044212.db2.gz CHCJRKTYRAAORR-NXEZZACHSA-N 0 1 248.317 2.021 20 0 BEADMN CC(C)=CCCN1CCO[C@H](CCF)C1 ZINC000626006660 344665127 /nfs/dbraw/zinc/66/51/27/344665127.db2.gz DWFFOZVJTMEPBU-GFCCVEGCSA-N 0 1 215.312 2.403 20 0 BEADMN COc1cccc2c1CN(C[C@H](O)C(C)(C)C)C2 ZINC000626023766 344678169 /nfs/dbraw/zinc/67/81/69/344678169.db2.gz QKDOVDJPCBCADB-AWEZNQCLSA-N 0 1 249.354 2.418 20 0 BEADMN COc1cccc2c1CN(C[C@@H](O)C(C)(C)C)C2 ZINC000626023767 344678231 /nfs/dbraw/zinc/67/82/31/344678231.db2.gz QKDOVDJPCBCADB-CQSZACIVSA-N 0 1 249.354 2.418 20 0 BEADMN COc1cccc2c1CN(CC[C@@H]1CCOC1)C2 ZINC000626023627 344678618 /nfs/dbraw/zinc/67/86/18/344678618.db2.gz MUVBYYZOHLJOBM-GFCCVEGCSA-N 0 1 247.338 2.437 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000625970776 344630128 /nfs/dbraw/zinc/63/01/28/344630128.db2.gz ZUVVHUZHHRMPGG-IJLUTSLNSA-N 0 1 239.359 2.465 20 0 BEADMN COc1cncc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626102950 344739461 /nfs/dbraw/zinc/73/94/61/344739461.db2.gz DDIWUZGHBASARI-FZMZJTMJSA-N 0 1 247.342 2.250 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@@H]2CC)o1 ZINC000075021818 344761605 /nfs/dbraw/zinc/76/16/05/344761605.db2.gz ZUDPFHMTJGAAEC-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000075213466 344769001 /nfs/dbraw/zinc/76/90/01/344769001.db2.gz HNFLMXIEYAXVCO-ZDUSSCGKSA-N 0 1 235.331 2.370 20 0 BEADMN COC1CCC(N(C)Cc2ncc(C)o2)CC1 ZINC000075745643 344778245 /nfs/dbraw/zinc/77/82/45/344778245.db2.gz PWFTXLDWSVYYMW-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN CC(C)c1nnc(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000076110948 344795239 /nfs/dbraw/zinc/79/52/39/344795239.db2.gz ZVIIECGSOHKSOY-AOOOYVTPSA-N 0 1 223.320 2.281 20 0 BEADMN CCc1cnc(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000076112813 344796269 /nfs/dbraw/zinc/79/62/69/344796269.db2.gz NBBWYLLGOHCWLD-AOOOYVTPSA-N 0 1 208.305 2.325 20 0 BEADMN COCCCCN1CCOC[C@H]1c1ccccc1 ZINC000076119047 344797716 /nfs/dbraw/zinc/79/77/16/344797716.db2.gz AAKCGKAQOMVZLI-HNNXBMFYSA-N 0 1 249.354 2.487 20 0 BEADMN c1ccc(C[N@H+]2CCC3(C2)CCOCC3)nc1 ZINC000076157573 344798587 /nfs/dbraw/zinc/79/85/87/344798587.db2.gz FIGQBDFOGXPPFP-UHFFFAOYSA-N 0 1 232.327 2.084 20 0 BEADMN CCOC(=O)CN(C[C@H](C)CC)C(C)C ZINC000050428227 344820935 /nfs/dbraw/zinc/82/09/35/344820935.db2.gz ONZXYWPVMPOHJE-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1nccc(OC)n1 ZINC000583362902 344809370 /nfs/dbraw/zinc/80/93/70/344809370.db2.gz JXQFDRPOQOXOBE-MNOVXSKESA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)[N@@H+](CCC(F)(F)F)C[C@@H](C)O ZINC000077283503 344815110 /nfs/dbraw/zinc/81/51/10/344815110.db2.gz XDLFABWADNTVHX-MRVPVSSYSA-N 0 1 213.243 2.030 20 0 BEADMN Cc1nc(CN(C(C)C)C2CC2)[nH]c1C ZINC000628139333 344801262 /nfs/dbraw/zinc/80/12/62/344801262.db2.gz BRMRIUWPPCSIBE-UHFFFAOYSA-N 0 1 207.321 2.399 20 0 BEADMN Cc1ncc(CN2CCC(n3ccnc3)CC2)o1 ZINC000628157573 344852470 /nfs/dbraw/zinc/85/24/70/344852470.db2.gz MLZJYPGHQGRCQS-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)c1csc(CN[C@@H](C)[C@H](C)O)n1 ZINC000562995454 323078671 /nfs/dbraw/zinc/07/86/71/323078671.db2.gz CDFXZEFZISSPPK-IUCAKERBSA-N 0 1 228.361 2.125 20 0 BEADMN Cc1c[nH]c(CN2CCC(C)(C)CC2)n1 ZINC000628162024 344862784 /nfs/dbraw/zinc/86/27/84/344862784.db2.gz ASUXJNPJGZAWEA-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN COCC1(NCc2ccc(C)cc2F)CC1 ZINC000631088861 344868179 /nfs/dbraw/zinc/86/81/79/344868179.db2.gz HDMTUPKWALATOP-UHFFFAOYSA-N 0 1 223.291 2.403 20 0 BEADMN CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cnnn1C ZINC000564498182 344870700 /nfs/dbraw/zinc/87/07/00/344870700.db2.gz PCXNBQRVNPMFEN-DGCLKSJQSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1nc(CN2C[C@H](C)C[C@@H]2C)[nH]c1C ZINC000628182620 344928431 /nfs/dbraw/zinc/92/84/31/344928431.db2.gz BWLAJTWBKIEAHS-BDAKNGLRSA-N 0 1 207.321 2.257 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@H]2C)[nH]c1C ZINC000628189664 344942353 /nfs/dbraw/zinc/94/23/53/344942353.db2.gz IXKQLSBVZFYAET-LDYMZIIASA-N 0 1 207.321 2.257 20 0 BEADMN Cc1ncc(CN2CC[C@@H](OCC(C)C)C2)o1 ZINC000628190688 344944097 /nfs/dbraw/zinc/94/40/97/344944097.db2.gz NBBNAQXRXXNYKA-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000235595237 344950482 /nfs/dbraw/zinc/95/04/82/344950482.db2.gz XUIRMLGOMIUADZ-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H]1CN(CC2(C)CC2)C[C@@H](C)[S@]1=O ZINC000569625988 345071922 /nfs/dbraw/zinc/07/19/22/345071922.db2.gz YNEUYKLKMOOCPT-UEKVPHQBSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC(C)(C)C)CCN1 ZINC000155251317 345075453 /nfs/dbraw/zinc/07/54/53/345075453.db2.gz OAWJJGIRQGGLFE-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cnc(CNC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000235287887 537887147 /nfs/dbraw/zinc/88/71/47/537887147.db2.gz WLAXDULIVLNCOU-RKDXNWHRSA-N 0 1 224.304 2.029 20 0 BEADMN CCc1nc(NC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000182245647 323083277 /nfs/dbraw/zinc/08/32/77/323083277.db2.gz HCGITDRLGGQJGT-UHFFFAOYSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C(C)(C)CC(C)C)n1 ZINC000182245647 323083278 /nfs/dbraw/zinc/08/32/78/323083278.db2.gz HCGITDRLGGQJGT-UHFFFAOYSA-N 0 1 238.335 2.378 20 0 BEADMN Cc1ccc(F)c(CCNCc2ccon2)c1 ZINC000634983381 345166735 /nfs/dbraw/zinc/16/67/35/345166735.db2.gz MEXKBLXGHZMVJU-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN c1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)no1 ZINC000634964143 345138078 /nfs/dbraw/zinc/13/80/78/345138078.db2.gz PBTICDHLQNFUNN-JSGCOSHPSA-N 0 1 228.295 2.395 20 0 BEADMN CN(C)CC(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000618280052 345151617 /nfs/dbraw/zinc/15/16/17/345151617.db2.gz BICSMJDWICBRKK-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN C[C@H]1CC(CCNCc2ccon2)C[C@H](C)O1 ZINC000634980170 345156523 /nfs/dbraw/zinc/15/65/23/345156523.db2.gz YFFAEFKBBQUGDA-QWRGUYRKSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635077630 345241572 /nfs/dbraw/zinc/24/15/72/345241572.db2.gz IEYIUKLUALUXCA-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)C ZINC000635073170 345241624 /nfs/dbraw/zinc/24/16/24/345241624.db2.gz QOQLYOOAFGTFKN-SSDOTTSWSA-N 0 1 244.697 2.368 20 0 BEADMN CSc1cccc(NC(=O)[C@@H](C)N(C)C)c1 ZINC000635124026 345252297 /nfs/dbraw/zinc/25/22/97/345252297.db2.gz ZPIPKQZGZLNJHQ-SECBINFHSA-N 0 1 238.356 2.297 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000635016321 345221179 /nfs/dbraw/zinc/22/11/79/345221179.db2.gz LXJGWUOJUXWYBY-STQMWFEESA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000635021503 345223536 /nfs/dbraw/zinc/22/35/36/345223536.db2.gz CFXOIDCHUDUSHW-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000635021446 345223581 /nfs/dbraw/zinc/22/35/81/345223581.db2.gz BSOUUPXYVKMFQG-MROQNXINSA-N 0 1 237.343 2.219 20 0 BEADMN Cn1cccc1C(=O)CN1CCCC2(CC2)CC1 ZINC000626114493 345314420 /nfs/dbraw/zinc/31/44/20/345314420.db2.gz ILGXVOVNRVQGIL-UHFFFAOYSA-N 0 1 246.354 2.474 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@H](C)OC)s1 ZINC000168409315 345314698 /nfs/dbraw/zinc/31/46/98/345314698.db2.gz RTOYUKRVHJTCLN-IUCAKERBSA-N 0 1 228.361 2.219 20 0 BEADMN CCc1cnc(CN[C@@H](COC)C(C)C)s1 ZINC000130600457 345279729 /nfs/dbraw/zinc/27/97/29/345279729.db2.gz BCVKKXUQFHPESY-NSHDSACASA-N 0 1 242.388 2.466 20 0 BEADMN CCN(CCc1ccccc1)C(=O)[C@@H](C)N(C)C ZINC000635245026 345282576 /nfs/dbraw/zinc/28/25/76/345282576.db2.gz JJFZNSKZFNHAGH-CYBMUJFWSA-N 0 1 248.370 2.028 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@H]2C2CC2)n1 ZINC000381319795 345309743 /nfs/dbraw/zinc/30/97/43/345309743.db2.gz OIRDMGXPERBWCS-BKDNQFJXSA-N 0 1 221.304 2.217 20 0 BEADMN CCN(CC)C(=O)C[N@@H+](C)CCC1CCCC1 ZINC000158604075 345356493 /nfs/dbraw/zinc/35/64/93/345356493.db2.gz WLDAHFZGHUFGKV-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCc1nnc(CN2C[C@@H](C)CCC[C@@H]2C)[nH]1 ZINC000158662824 345362844 /nfs/dbraw/zinc/36/28/44/345362844.db2.gz DDNRPLHMMIEKTQ-QWRGUYRKSA-N 0 1 236.363 2.378 20 0 BEADMN CC[N@@H+](Cc1nc(C)ccc1O)C1CC1 ZINC000133299641 345369006 /nfs/dbraw/zinc/36/90/06/345369006.db2.gz SHTKLAHAPIGBAM-UHFFFAOYSA-N 0 1 206.289 2.080 20 0 BEADMN CCCn1ncnc1C[N@H+]1CCCC2(CC2)CC1 ZINC000626114991 345326007 /nfs/dbraw/zinc/32/60/07/345326007.db2.gz BXNIOUQARSJGSU-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CCCn1ncnc1CN1CCCC2(CC2)CC1 ZINC000626114991 345326010 /nfs/dbraw/zinc/32/60/10/345326010.db2.gz BXNIOUQARSJGSU-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN COC[C@@H](N[C@@H](C)c1nnc(C)s1)C(C)C ZINC000135008785 345429034 /nfs/dbraw/zinc/42/90/34/345429034.db2.gz JJTWEPYYQRLJQS-WCBMZHEXSA-N 0 1 243.376 2.168 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)[C@@H]1CCCC[C@H]1C ZINC000635492950 345396335 /nfs/dbraw/zinc/39/63/35/345396335.db2.gz JZRKZTXCYUQTAY-JHJVBQTASA-N 0 1 240.391 2.364 20 0 BEADMN Cc1n[nH]c(C(=O)NCC(C2CC2)C2CC2)c1C ZINC000081243267 345468552 /nfs/dbraw/zinc/46/85/52/345468552.db2.gz BMOWUELAYKNMCP-UHFFFAOYSA-N 0 1 247.342 2.193 20 0 BEADMN C[N@H+]1CCN(Cc2ccno2)C2(CCCCC2)C1 ZINC000081612961 345487034 /nfs/dbraw/zinc/48/70/34/345487034.db2.gz IKJUORDTVCYCRB-UHFFFAOYSA-N 0 1 249.358 2.125 20 0 BEADMN CC[C@H](C(=O)N1CCc2cc(C)ccc21)N(C)C ZINC000091104111 345587777 /nfs/dbraw/zinc/58/77/77/345587777.db2.gz SRJHASXQTMPQPZ-CYBMUJFWSA-N 0 1 246.354 2.224 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)C[C@H]1CC=CCC1 ZINC000093323206 345651899 /nfs/dbraw/zinc/65/18/99/345651899.db2.gz POHHKUBUWNVDHL-NEPJUHHUSA-N 0 1 225.332 2.226 20 0 BEADMN Cc1ccc([C@H](C)N[C@H](CO)CC(F)F)o1 ZINC000336741246 178897640 /nfs/dbraw/zinc/89/76/40/178897640.db2.gz NAMOXOXVWIIREJ-IUCAKERBSA-N 0 1 233.258 2.255 20 0 BEADMN CSc1ccc(CNCc2cc(C)[nH]n2)o1 ZINC000641725843 362642557 /nfs/dbraw/zinc/64/25/57/362642557.db2.gz MKPDDBANBCKKMY-UHFFFAOYSA-N 0 1 237.328 2.323 20 0 BEADMN CCN(CC)CC(=O)N(C)c1ccc(C)cc1 ZINC000113828713 345674592 /nfs/dbraw/zinc/67/45/92/345674592.db2.gz YZLSENQMOUMDFT-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN COC(=O)c1cccc2c1C[N@H+](C(C)C)CC2 ZINC000082791967 345759290 /nfs/dbraw/zinc/75/92/90/345759290.db2.gz SADNMSVOEBQRGH-UHFFFAOYSA-N 0 1 233.311 2.240 20 0 BEADMN COC(=O)c1cccc2c1CN(C(C)C)CC2 ZINC000082791967 345759293 /nfs/dbraw/zinc/75/92/93/345759293.db2.gz SADNMSVOEBQRGH-UHFFFAOYSA-N 0 1 233.311 2.240 20 0 BEADMN CC(C)CSCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000134843929 345759667 /nfs/dbraw/zinc/75/96/67/345759667.db2.gz VXJWSUSTRPPRFI-TXEJJXNPSA-N 0 1 231.405 2.485 20 0 BEADMN CCCN1CCN(c2cccc(F)c2F)CC1 ZINC000167782915 345722711 /nfs/dbraw/zinc/72/27/11/345722711.db2.gz IORUZWDBKKFUPG-UHFFFAOYSA-N 0 1 240.297 2.497 20 0 BEADMN Cc1ccc(S(=O)(=O)Nc2ccccc2)cn1 ZINC000202908424 345730672 /nfs/dbraw/zinc/73/06/72/345730672.db2.gz FAKGXJMGORIHGA-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000208789135 345735809 /nfs/dbraw/zinc/73/58/09/345735809.db2.gz JBQMFVMOYTVBOB-VCDPDADVSA-N 0 1 245.322 2.496 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000635568090 345823796 /nfs/dbraw/zinc/82/37/96/345823796.db2.gz HDHTVPNEJARIDZ-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)NCC[C@H]1CCCC[C@H]1C)N(C)C ZINC000635567849 345823822 /nfs/dbraw/zinc/82/38/22/345823822.db2.gz DOXFEJGMAKVOGS-JHJVBQTASA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)(C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000138362870 345764952 /nfs/dbraw/zinc/76/49/52/345764952.db2.gz DYQPKBXHCPEEGP-UHFFFAOYSA-N 0 1 231.299 2.020 20 0 BEADMN CCCCCN(C(=O)Cc1ccn[nH]1)C(C)C ZINC000266780710 345846304 /nfs/dbraw/zinc/84/63/04/345846304.db2.gz VSVMVDSHPVVQAR-UHFFFAOYSA-N 0 1 237.347 2.379 20 0 BEADMN Cc1cccc([C@H](C)CNC(=O)[C@@H](C)N(C)C)c1 ZINC000635599394 345887484 /nfs/dbraw/zinc/88/74/84/345887484.db2.gz CZBKWDVDSQHFKU-CHWSQXEVSA-N 0 1 248.370 2.165 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N(C)C ZINC000635614178 345893592 /nfs/dbraw/zinc/89/35/92/345893592.db2.gz VTNHSVXCUWFXDM-YVECIDJPSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)N(C)C ZINC000635614174 345893602 /nfs/dbraw/zinc/89/36/02/345893602.db2.gz VTNHSVXCUWFXDM-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1c(F)cccc1F ZINC000335919147 345873716 /nfs/dbraw/zinc/87/37/16/345873716.db2.gz UFGJQTIZMVMENX-LBPRGKRZSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](C[NH2+]Cc1cnc(C2CC2)o1)N(C)C1CC1 ZINC000628214046 345876125 /nfs/dbraw/zinc/87/61/25/345876125.db2.gz IUTALEWXEANZSH-JTQLQIEISA-N 0 1 249.358 2.124 20 0 BEADMN C[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000635623201 345897658 /nfs/dbraw/zinc/89/76/58/345897658.db2.gz NWIUCSDUNGITBH-RTXFEEFZSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635633081 345911415 /nfs/dbraw/zinc/91/14/15/345911415.db2.gz XBYHOPXHSMYLAC-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)N1Cc2ccccc2[C@@H]1C)N(C)C ZINC000635638275 345911760 /nfs/dbraw/zinc/91/17/60/345911760.db2.gz LZLKVRZKUBLSJD-WDEREUQCSA-N 0 1 232.327 2.040 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000635633084 345911785 /nfs/dbraw/zinc/91/17/85/345911785.db2.gz XBYHOPXHSMYLAC-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN CCCC[C@@H](CC)CCN1CCNC(=O)[C@H]1C ZINC000437690108 537926612 /nfs/dbraw/zinc/92/66/12/537926612.db2.gz UZCNQXUTAVQSTC-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@H]1CCCC1(C)C ZINC000635654707 345932912 /nfs/dbraw/zinc/93/29/12/345932912.db2.gz KFWPJOKQSZLWPG-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635655168 345934115 /nfs/dbraw/zinc/93/41/15/345934115.db2.gz NPGSYWGRPWOSTC-FOGDFJRCSA-N 0 1 247.342 2.208 20 0 BEADMN Cc1ncc(CN[C@H](C)Cc2c(C)noc2C)o1 ZINC000628218083 345948427 /nfs/dbraw/zinc/94/84/27/345948427.db2.gz SYHBKGODAMGWPK-MRVPVSSYSA-N 0 1 249.314 2.309 20 0 BEADMN CC1(C)CN(Cc2cncs2)CCS1 ZINC000093504320 345969611 /nfs/dbraw/zinc/96/96/11/345969611.db2.gz OIHVXWGHIYNORQ-UHFFFAOYSA-N 0 1 228.386 2.471 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635677443 345974828 /nfs/dbraw/zinc/97/48/28/345974828.db2.gz SDPLFVRZRFBFOA-KKOKHZNYSA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000635681037 345975711 /nfs/dbraw/zinc/97/57/11/345975711.db2.gz MZKAMCAGXXAYRY-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)Nc1cc(F)cc(Cl)c1)N(C)C ZINC000635698111 345986498 /nfs/dbraw/zinc/98/64/98/345986498.db2.gz GWYAWWLBKOBZHY-SSDOTTSWSA-N 0 1 244.697 2.368 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635705446 345991593 /nfs/dbraw/zinc/99/15/93/345991593.db2.gz WXZYIYNCMXONCG-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)CC1 ZINC000601007573 345997296 /nfs/dbraw/zinc/99/72/96/345997296.db2.gz WFRWZKHPKLHADF-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000635756921 346051973 /nfs/dbraw/zinc/05/19/73/346051973.db2.gz BBUSYHWHAFQLNV-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635767141 346058235 /nfs/dbraw/zinc/05/82/35/346058235.db2.gz ZOKPHGYNZYQINY-AVGNSLFASA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000635722125 346030923 /nfs/dbraw/zinc/03/09/23/346030923.db2.gz CSRWUKFTRNLVES-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)c1cccc(CNC(=O)[C@@H](C)N(C)C)c1 ZINC000635813669 346075417 /nfs/dbraw/zinc/07/54/17/346075417.db2.gz FBBSYNAYABJBMR-GFCCVEGCSA-N 0 1 248.370 2.376 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H](C)CC)[nH]1 ZINC001639093567 1172073549 /nfs/dbraw/zinc/07/35/49/1172073549.db2.gz JDCKCLGETAADJK-SECBINFHSA-N 0 1 223.320 2.025 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)N(C)C ZINC000635837061 346081632 /nfs/dbraw/zinc/08/16/32/346081632.db2.gz ATDZFSASDFRUQV-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN COC(=O)c1coc(CNC2CC(C)(F)C2)c1 ZINC000449376763 201891809 /nfs/dbraw/zinc/89/18/09/201891809.db2.gz PFLZKNBIRYNGTB-UHFFFAOYSA-N 0 1 241.262 2.046 20 0 BEADMN CC[C@@H]1CN(C2CCCC2)C[C@H](C)[S@]1=O ZINC000586779059 346099921 /nfs/dbraw/zinc/09/99/21/346099921.db2.gz VEXUBPHBWYANSZ-JVLSTEMRSA-N 0 1 229.389 2.160 20 0 BEADMN C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000635882725 346101533 /nfs/dbraw/zinc/10/15/33/346101533.db2.gz ZYGXCFVMOQHCAB-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CC1CCC1)C(=O)[C@@H]1CCCCN1C ZINC000635884749 346102231 /nfs/dbraw/zinc/10/22/31/346102231.db2.gz ZKHWUURFCZOVAD-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635794551 346064928 /nfs/dbraw/zinc/06/49/28/346064928.db2.gz ASWDZWVGGDUUHJ-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN CC(C)=C(C)CC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000635925804 346116195 /nfs/dbraw/zinc/11/61/95/346116195.db2.gz LJZSPRFKCAPKFD-SECBINFHSA-N 0 1 236.319 2.037 20 0 BEADMN O=C(C1CCC=CCC1)N1CCc2nc[nH]c2C1 ZINC000635943355 346118140 /nfs/dbraw/zinc/11/81/40/346118140.db2.gz MNLJPJFNKOCFFN-UHFFFAOYSA-N 0 1 245.326 2.041 20 0 BEADMN CCC1(NC(=O)[C@@H](C)N(C)C)CCCCC1 ZINC000635993668 346143411 /nfs/dbraw/zinc/14/34/11/346143411.db2.gz VOOTUGBFAREMMN-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CCCC(C)(C)C1)N(C)C ZINC000636008681 346149395 /nfs/dbraw/zinc/14/93/95/346149395.db2.gz QCDJNIFIGBUUEX-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636011963 346153047 /nfs/dbraw/zinc/15/30/47/346153047.db2.gz AAKUVJVXWYLASW-GMTAPVOTSA-N 0 1 249.358 2.454 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636011964 346153470 /nfs/dbraw/zinc/15/34/70/346153470.db2.gz AAKUVJVXWYLASW-HBNTYKKESA-N 0 1 249.358 2.454 20 0 BEADMN CN(CCn1ccccc1=O)Cc1ccsc1 ZINC000586829035 346154235 /nfs/dbraw/zinc/15/42/35/346154235.db2.gz KDERXCNRINHDTF-UHFFFAOYSA-N 0 1 248.351 2.042 20 0 BEADMN C[C@H](c1ccco1)N(C)CCn1ccccc1=O ZINC000586830560 346154890 /nfs/dbraw/zinc/15/48/90/346154890.db2.gz MOFFPENYSSWYGY-GFCCVEGCSA-N 0 1 246.310 2.134 20 0 BEADMN C[C@H](C(=O)NCC(C)(C)C1=CCCC1)N(C)C ZINC000636013641 346155634 /nfs/dbraw/zinc/15/56/34/346155634.db2.gz UAXJIAPVPJRULD-LLVKDONJSA-N 0 1 238.375 2.189 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@@]1(C)CC=CCC1 ZINC000636020661 346159039 /nfs/dbraw/zinc/15/90/39/346159039.db2.gz FUGPJACFMRONBP-JSGCOSHPSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1c[nH]c(CN2CCCC[C@@H](C)C2)n1 ZINC000628240911 346203322 /nfs/dbraw/zinc/20/33/22/346203322.db2.gz ZPDQGHIVUKKSOV-SNVBAGLBSA-N 0 1 207.321 2.340 20 0 BEADMN CCN(Cc1ccccc1)[C@H](C)C(=O)NC1CC1 ZINC000151030688 346212493 /nfs/dbraw/zinc/21/24/93/346212493.db2.gz HUPRONBZCPKZAJ-GFCCVEGCSA-N 0 1 246.354 2.176 20 0 BEADMN c1cc(CCCOCCc2c[nH]nn2)cs1 ZINC000419054912 192098542 /nfs/dbraw/zinc/09/85/42/192098542.db2.gz NALVWZHMSLSOLU-UHFFFAOYSA-N 0 1 237.328 2.058 20 0 BEADMN C/C=C/C[C@H](CO)NCc1c(F)cccc1F ZINC000641746891 362672307 /nfs/dbraw/zinc/67/23/07/362672307.db2.gz DFZFUSMLARGIJB-VMZHVLLKSA-N 0 1 241.281 2.382 20 0 BEADMN CSc1ccc(CN[C@@]2(C)CCOC2)o1 ZINC000641745597 362667033 /nfs/dbraw/zinc/66/70/33/362667033.db2.gz VXLUTTLAOXCBOL-NSHDSACASA-N 0 1 227.329 2.270 20 0 BEADMN CCCCN(C)Cc1nc(N)c2ccccc2n1 ZINC000078245258 537964969 /nfs/dbraw/zinc/96/49/69/537964969.db2.gz XQYAKRKACXZVPB-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000130883343 179034835 /nfs/dbraw/zinc/03/48/35/179034835.db2.gz XFPNSNLAWSPBFJ-GFCCVEGCSA-N 0 1 233.311 2.210 20 0 BEADMN Cc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000628280170 346290389 /nfs/dbraw/zinc/29/03/89/346290389.db2.gz TVYRAVFNSJSUMA-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN Cc1cccc(C)c1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000235345390 179030146 /nfs/dbraw/zinc/03/01/46/179030146.db2.gz KOSAMWQIYZXKIW-CHWSQXEVSA-N 0 1 246.354 2.126 20 0 BEADMN CC(C)(C)CNc1cccc2[nH]nnc21 ZINC000641759294 362690303 /nfs/dbraw/zinc/69/03/03/362690303.db2.gz YJDGKSZTPFVCMU-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CC=CCC1 ZINC000636064486 346307927 /nfs/dbraw/zinc/30/79/27/346307927.db2.gz AAFJPCRCRDQACP-NSHDSACASA-N 0 1 233.315 2.033 20 0 BEADMN C=C/C(C)=C\CC(=O)N(C)Cc1cn[nH]c1C ZINC000636068423 346308718 /nfs/dbraw/zinc/30/87/18/346308718.db2.gz FVODGUKFVRYTQO-POHAHGRESA-N 0 1 233.315 2.199 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC000636069975 346310836 /nfs/dbraw/zinc/31/08/36/346310836.db2.gz CULWVEYEMITLGM-CQSZACIVSA-N 0 1 247.342 2.423 20 0 BEADMN CC(C)=C(C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000636070998 346311865 /nfs/dbraw/zinc/31/18/65/346311865.db2.gz XNZYIHYRXOSHKR-UHFFFAOYSA-N 0 1 235.331 2.423 20 0 BEADMN CC[C@@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000153867532 346313205 /nfs/dbraw/zinc/31/32/05/346313205.db2.gz HHMOJVVCHWRXAD-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN Cc1ccc(CCNCc2nccs2)o1 ZINC000309088444 349951907 /nfs/dbraw/zinc/95/19/07/349951907.db2.gz BHZYJKVCGWDTQR-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN CC[C@@H]1C(=O)NCCN1Cc1c(C)cccc1C ZINC000156365621 346367172 /nfs/dbraw/zinc/36/71/72/346367172.db2.gz YTLZHKKDUVGLKB-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@@H](CNC(=O)[C@@H](C)N(C)C)C1CCCCC1 ZINC000636235741 346363837 /nfs/dbraw/zinc/36/38/37/346363837.db2.gz LZMKLPGAGFSZHS-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](C(=O)NCC1C[C@@H](C)C[C@H](C)C1)N(C)C ZINC000636170443 346343577 /nfs/dbraw/zinc/34/35/77/346343577.db2.gz SMLUKLHCDZLKAB-SDDRHHMPSA-N 0 1 240.391 2.125 20 0 BEADMN FC(F)(F)CC1CCN([C@@H]2CCOC2)CC1 ZINC000334318243 133618441 /nfs/dbraw/zinc/61/84/41/133618441.db2.gz RUURSLWFJQQCOV-SNVBAGLBSA-N 0 1 237.265 2.440 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000636291370 346381466 /nfs/dbraw/zinc/38/14/66/346381466.db2.gz KKMPZPMRKFREPN-FBVTZJDUSA-N 0 1 238.375 2.141 20 0 BEADMN CSc1ccc(CNCCOCCF)o1 ZINC000641775257 362716313 /nfs/dbraw/zinc/71/63/13/362716313.db2.gz UQRDCYTXZHZLKQ-UHFFFAOYSA-N 0 1 233.308 2.077 20 0 BEADMN Cc1cccc(CN(C)[C@H]2CCCCNC2=O)c1 ZINC000105610538 179068374 /nfs/dbraw/zinc/06/83/74/179068374.db2.gz AQMTYUDRDXENIO-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2cccc(C)n2)n[nH]1 ZINC000331325412 179069092 /nfs/dbraw/zinc/06/90/92/179069092.db2.gz GDOCVZOBZNQGSC-JTQLQIEISA-N 0 1 245.330 2.010 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2cccc(C)n2)n[nH]1 ZINC000331325413 179069603 /nfs/dbraw/zinc/06/96/03/179069603.db2.gz GDOCVZOBZNQGSC-SNVBAGLBSA-N 0 1 245.330 2.010 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H](C)CC(=O)[O-])c1 ZINC000042435834 179069676 /nfs/dbraw/zinc/06/96/76/179069676.db2.gz XUKWZXGEBPNRFS-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H](C)CC(=O)[O-])c1 ZINC000042435833 179069828 /nfs/dbraw/zinc/06/98/28/179069828.db2.gz XUKWZXGEBPNRFS-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN FC1(CNc2ccc3c[nH]nc3c2)CC1 ZINC000641781962 362720585 /nfs/dbraw/zinc/72/05/85/362720585.db2.gz FSVGGULXYCVOSP-UHFFFAOYSA-N 0 1 205.236 2.477 20 0 BEADMN COCC1(N(C)Cc2ccc(Cl)cn2)CC1 ZINC000679217532 488317703 /nfs/dbraw/zinc/31/77/03/488317703.db2.gz CLACCUKRJSMIJO-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1cccc(CN(C)C[C@@H]2CCCO2)n1 ZINC000336690542 179064997 /nfs/dbraw/zinc/06/49/97/179064997.db2.gz BBOICJWHZMYJIG-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cccc(CN(C)C[C@H]2CCCCO2)n1 ZINC000336701602 179066629 /nfs/dbraw/zinc/06/66/29/179066629.db2.gz LUEDCUGNOVJOBK-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000042435838 179067694 /nfs/dbraw/zinc/06/76/94/179067694.db2.gz LJPMTSVRRBJVBO-NSHDSACASA-N 0 1 221.300 2.148 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000641792142 362726443 /nfs/dbraw/zinc/72/64/43/362726443.db2.gz OSTPHFAHJHJZPV-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000641792142 362726449 /nfs/dbraw/zinc/72/64/49/362726449.db2.gz OSTPHFAHJHJZPV-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H](F)C1 ZINC000574923660 346414445 /nfs/dbraw/zinc/41/44/45/346414445.db2.gz PBYZVRAPCYAXNG-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000641787673 362723870 /nfs/dbraw/zinc/72/38/70/362723870.db2.gz DKADRTOWESRTLR-QWRGUYRKSA-N 0 1 233.315 2.020 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000332810767 346446021 /nfs/dbraw/zinc/44/60/21/346446021.db2.gz KRDKHTOGEDUMSA-FOGDFJRCSA-N 0 1 247.342 2.340 20 0 BEADMN Cc1cccc(CNC(=O)C(F)(F)F)c1 ZINC000070266943 179086087 /nfs/dbraw/zinc/08/60/87/179086087.db2.gz MBYQSIZOAOFKLD-UHFFFAOYSA-N 0 1 217.190 2.174 20 0 BEADMN CN(C)CC(=O)N1CC[C@]1(C)C1CCCCC1 ZINC000636386645 346439103 /nfs/dbraw/zinc/43/91/03/346439103.db2.gz JXANDCYSZHEORX-CQSZACIVSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cccc(CN2CC[C@@H](n3cccn3)C2)n1 ZINC000336447594 179083219 /nfs/dbraw/zinc/08/32/19/179083219.db2.gz IOTCRRRBCFPZOR-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN C[C@H](NCc1[nH]nc2ccccc21)C(F)F ZINC000641793335 362735304 /nfs/dbraw/zinc/73/53/04/362735304.db2.gz IZAXVBSAOKATGD-ZETCQYMHSA-N 0 1 225.242 2.306 20 0 BEADMN CC(C)OCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000679222182 488320080 /nfs/dbraw/zinc/32/00/80/488320080.db2.gz NUJBCYQJDHIPGN-MNOVXSKESA-N 0 1 203.301 2.091 20 0 BEADMN COc1ccc(CCNCc2ccon2)cc1 ZINC000148873632 346473493 /nfs/dbraw/zinc/47/34/93/346473493.db2.gz RYGFFKADRQVGBN-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN Cc1cccc(Cl)c1CN(C)CCO ZINC000296483449 179107544 /nfs/dbraw/zinc/10/75/44/179107544.db2.gz KRBFXCZXAXNYNQ-UHFFFAOYSA-N 0 1 213.708 2.073 20 0 BEADMN Cc1cccc(Cl)c1CN(C)C[C@@H](C)O ZINC000295246980 179107691 /nfs/dbraw/zinc/10/76/91/179107691.db2.gz VXKDBRZOVLQGCY-SNVBAGLBSA-N 0 1 227.735 2.461 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)CC(OC)OC ZINC000162130611 346510986 /nfs/dbraw/zinc/51/09/86/346510986.db2.gz NWSNMGXIVBZERB-LBPRGKRZSA-N 0 1 238.331 2.083 20 0 BEADMN Cc1ccccc1C1CCN([C@H](C)C(N)=O)CC1 ZINC000170953863 346488241 /nfs/dbraw/zinc/48/82/41/346488241.db2.gz HANVDCNUJMBERB-GFCCVEGCSA-N 0 1 246.354 2.048 20 0 BEADMN C[C@@H]1CCN(CCc2ccccn2)C[C@H]1F ZINC000679227974 488322496 /nfs/dbraw/zinc/32/24/96/488322496.db2.gz UMHIZVSQCMODPY-DGCLKSJQSA-N 0 1 222.307 2.304 20 0 BEADMN C[C@@H](CN(C)C(=O)c1cnc[nH]1)C(C)(C)C ZINC000636431636 346531852 /nfs/dbraw/zinc/53/18/52/346531852.db2.gz FZWDMBBEUBJAJG-VIFPVBQESA-N 0 1 223.320 2.164 20 0 BEADMN Cc1cccc(NC(=O)[C@@H](N)c2ccccc2)n1 ZINC000019861755 179137410 /nfs/dbraw/zinc/13/74/10/179137410.db2.gz XAZJWLSJWYHHTG-ZDUSSCGKSA-N 0 1 241.294 2.029 20 0 BEADMN CCN(CC)Cc1cn2ccccc2n1 ZINC000007263911 346659040 /nfs/dbraw/zinc/65/90/40/346659040.db2.gz OOIRGSHEXXLQFH-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN CCCc1cc(C(=O)N(C)Cc2ccoc2)n[nH]1 ZINC000618354865 346637114 /nfs/dbraw/zinc/63/71/14/346637114.db2.gz AOSWPGADERQCSB-UHFFFAOYSA-N 0 1 247.298 2.227 20 0 BEADMN CCCN1CCN(c2nc(Cl)cs2)CC1 ZINC000165085193 346638735 /nfs/dbraw/zinc/63/87/35/346638735.db2.gz BSOVBXYKHBUMSY-UHFFFAOYSA-N 0 1 245.779 2.329 20 0 BEADMN CCN(C(=O)c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617933268 346723680 /nfs/dbraw/zinc/72/36/80/346723680.db2.gz KYHJJMKPXPYEKI-CQSZACIVSA-N 0 1 246.354 2.243 20 0 BEADMN Cc1cccc(NCC2(CCO)CCC2)n1 ZINC000309861987 179143170 /nfs/dbraw/zinc/14/31/70/179143170.db2.gz NAQCPWAHBGFOEU-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN Cc1cccc(NCCC2(O)CCC2)n1 ZINC000286774331 179143880 /nfs/dbraw/zinc/14/38/80/179143880.db2.gz RFQBAPLICOZRKH-UHFFFAOYSA-N 0 1 206.289 2.107 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621993637 370649081 /nfs/dbraw/zinc/64/90/81/370649081.db2.gz PGIWOFKTHSYZES-MNOVXSKESA-N 0 1 249.358 2.240 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621993636 370649484 /nfs/dbraw/zinc/64/94/84/370649484.db2.gz PGIWOFKTHSYZES-GHMZBOCLSA-N 0 1 249.358 2.240 20 0 BEADMN Cc1nnc(CN2CCCC2(C)C)n1C1CC1 ZINC000170872903 346798291 /nfs/dbraw/zinc/79/82/91/346798291.db2.gz XXQXTCBHNMESOV-UHFFFAOYSA-N 0 1 234.347 2.296 20 0 BEADMN Cc1c(CN(C)CCC(C)(F)F)cnn1C ZINC000571136050 323136442 /nfs/dbraw/zinc/13/64/42/323136442.db2.gz UPQMWGYTQAWGTM-UHFFFAOYSA-N 0 1 231.290 2.206 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1cncc(F)c1 ZINC000309633995 347125049 /nfs/dbraw/zinc/12/50/49/347125049.db2.gz IUXWZNRIKLQJNL-GGZOMVNGSA-N 0 1 224.279 2.049 20 0 BEADMN CCOCC(C)(C)NCc1cnc(C2CC2)o1 ZINC000628295261 347215085 /nfs/dbraw/zinc/21/50/85/347215085.db2.gz HKSYSIBBMFDCPP-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN CCc1nc(CSc2cccc(O)c2)n[nH]1 ZINC000186698166 347239805 /nfs/dbraw/zinc/23/98/05/347239805.db2.gz IWLUYEAHGWGGQM-UHFFFAOYSA-N 0 1 235.312 2.365 20 0 BEADMN Cc1nc(CN[C@@H](C)c2cccc(C)c2)n[nH]1 ZINC000358050356 179195970 /nfs/dbraw/zinc/19/59/70/179195970.db2.gz SZGUBWLICVKEAL-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627372830 347256333 /nfs/dbraw/zinc/25/63/33/347256333.db2.gz XWRYOGNQTCSCMA-MNOVXSKESA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)CC(C)(C)O1 ZINC000419210338 192105202 /nfs/dbraw/zinc/10/52/02/192105202.db2.gz QMHKSJLJQMISIH-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccccc1N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000623047768 347304366 /nfs/dbraw/zinc/30/43/66/347304366.db2.gz STZBBCCKNNFWIL-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN CN(Cc1ncccn1)CC1CCCC1 ZINC000191973031 347364692 /nfs/dbraw/zinc/36/46/92/347364692.db2.gz UJCYUVJNJOOIMV-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN Cn1cccc1CNCc1ccccc1F ZINC000020360297 347401054 /nfs/dbraw/zinc/40/10/54/347401054.db2.gz BUAZNQHKJXRVRR-UHFFFAOYSA-N 0 1 218.275 2.454 20 0 BEADMN C[C@H]1CC[C@H](C(=O)N(C)Cc2cnc[nH]2)CC1 ZINC000616921619 347451476 /nfs/dbraw/zinc/45/14/76/347451476.db2.gz XSMQFEOFLUUSFD-XYPYZODXSA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCc1cccs1 ZINC000616923061 347453506 /nfs/dbraw/zinc/45/35/06/347453506.db2.gz SSHYJNMOWONNDE-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)c(C)s1 ZINC000616922999 347454094 /nfs/dbraw/zinc/45/40/94/347454094.db2.gz QEGBUCDHOXTFMM-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)o2)C[C@H]1C ZINC000628299383 347422580 /nfs/dbraw/zinc/42/25/80/347422580.db2.gz NLFMMPDRLXFVCL-MFKMUULPSA-N 0 1 238.331 2.230 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC000628299436 347424055 /nfs/dbraw/zinc/42/40/55/347424055.db2.gz ONKOZAUGERKDFD-BXKDBHETSA-N 0 1 238.331 2.148 20 0 BEADMN Cc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000071396602 179237938 /nfs/dbraw/zinc/23/79/38/179237938.db2.gz FQNKATTVTDZGAT-NSHDSACASA-N 0 1 229.283 2.470 20 0 BEADMN Cc1cscc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616925708 347457363 /nfs/dbraw/zinc/45/73/63/347457363.db2.gz NWGTVRBFPUZVSQ-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN COc1ccccc1SCCc1c[nH]nn1 ZINC000580689341 365884405 /nfs/dbraw/zinc/88/44/05/365884405.db2.gz IHMWCZVSUPUILW-UHFFFAOYSA-N 0 1 235.312 2.148 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616929129 347496424 /nfs/dbraw/zinc/49/64/24/347496424.db2.gz UVTHBDSNSQVRQA-ZYHUDNBSSA-N 0 1 235.331 2.050 20 0 BEADMN CCCC1(C(=O)N(C)Cc2cnc[nH]2)CCC1 ZINC000616926407 347458551 /nfs/dbraw/zinc/45/85/51/347458551.db2.gz AVAFBOYFZVMCLZ-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN C[C@H]1CC[C@H](CC(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616926745 347459332 /nfs/dbraw/zinc/45/93/32/347459332.db2.gz OCTMTYYPZCTAHS-QWRGUYRKSA-N 0 1 235.331 2.194 20 0 BEADMN CC(C)[C@](C)(O)CN[C@@H](C)c1cscn1 ZINC000380110191 365886958 /nfs/dbraw/zinc/88/69/58/365886958.db2.gz RSBZISDBQQNURA-GXSJLCMTSA-N 0 1 228.361 2.201 20 0 BEADMN C=Cn1cc(CN2CCS[C@@H](C)[C@@H]2C)cn1 ZINC000193977449 259396312 /nfs/dbraw/zinc/39/63/12/259396312.db2.gz REBZUHYNQNPSMK-QWRGUYRKSA-N 0 1 237.372 2.309 20 0 BEADMN COc1ccccc1C(C)(C)NCc1cn[nH]c1 ZINC000590798489 347562494 /nfs/dbraw/zinc/56/24/94/347562494.db2.gz YUBDYHHPUXGXLR-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN Cc1nc2ccc(NC(=O)c3cocn3)cc2[nH]1 ZINC000591115317 347621551 /nfs/dbraw/zinc/62/15/51/347621551.db2.gz PCOABQZNTOKNME-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC/C=C/CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419230245 192108303 /nfs/dbraw/zinc/10/83/03/192108303.db2.gz YKJCPONVZOUYEF-KVEVGEHQSA-N 0 1 246.354 2.372 20 0 BEADMN C[C@H](NC[C@H]1CCCC[C@@H]1C)c1ncn(C)n1 ZINC000394887039 323152693 /nfs/dbraw/zinc/15/26/93/323152693.db2.gz RMWDFBOHTCCSEN-SDDRHHMPSA-N 0 1 236.363 2.292 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CC1=CCCC1 ZINC000592106666 347735100 /nfs/dbraw/zinc/73/51/00/347735100.db2.gz KZSYTMBRILTUPO-YPMHNXCESA-N 0 1 237.343 2.370 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCOCC1CCC1 ZINC000419185331 192108806 /nfs/dbraw/zinc/10/88/06/192108806.db2.gz KSAMZMJSLHZZAG-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(C[C@@H](CC(C)C)OC)CCO1 ZINC000419190159 192108689 /nfs/dbraw/zinc/10/86/89/192108689.db2.gz QKBYKGPXXDIONJ-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN CCCN1CCc2cccc(C(=O)OC)c2C1 ZINC000592158010 347745905 /nfs/dbraw/zinc/74/59/05/347745905.db2.gz AZQXGBVBTWMGQP-UHFFFAOYSA-N 0 1 233.311 2.241 20 0 BEADMN CCN(CCSC)Cc1cncn1CC ZINC000592527180 347795708 /nfs/dbraw/zinc/79/57/08/347795708.db2.gz DSRZFMVLSZIKKU-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCOCC1CCC1 ZINC000419185328 192109039 /nfs/dbraw/zinc/10/90/39/192109039.db2.gz KSAMZMJSLHZZAG-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccn2C)CC1 ZINC000117344621 347827364 /nfs/dbraw/zinc/82/73/64/347827364.db2.gz RBECGPRZNOEQTB-GFCCVEGCSA-N 0 1 221.348 2.432 20 0 BEADMN Cn1cc(CN2CCCc3sccc3C2)cn1 ZINC000592982259 347842031 /nfs/dbraw/zinc/84/20/31/347842031.db2.gz JERFLQQVOBVLBX-UHFFFAOYSA-N 0 1 247.367 2.430 20 0 BEADMN Cc1ccccc1NC(=O)CN1CC[C@@H](C)C1 ZINC000263669623 179298641 /nfs/dbraw/zinc/29/86/41/179298641.db2.gz GAILXVNYSQPAIH-LLVKDONJSA-N 0 1 232.327 2.275 20 0 BEADMN COC(=O)c1cccc(CN2CCC(C)CC2)n1 ZINC000577345983 365929060 /nfs/dbraw/zinc/92/90/60/365929060.db2.gz RUNQIBGJLRMXEB-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN Cc1ccccc1S(=O)(=O)Nc1cccnc1 ZINC000000383707 179315467 /nfs/dbraw/zinc/31/54/67/179315467.db2.gz NDUXVALEWVMJDR-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN Cc1cccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1C ZINC000593689822 347928398 /nfs/dbraw/zinc/92/83/98/347928398.db2.gz WHVOSRURSXKJKR-ZQIUZPCESA-N 0 1 249.379 2.009 20 0 BEADMN CSCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000593745926 347935775 /nfs/dbraw/zinc/93/57/75/347935775.db2.gz DFEPCWINROEWPT-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)N1CCC1 ZINC000298869938 179317548 /nfs/dbraw/zinc/31/75/48/179317548.db2.gz WWUJESKKDOPTIV-CYBMUJFWSA-N 0 1 246.354 2.220 20 0 BEADMN CC[C@@H]1CN(CC2(F)CC2)CCS1 ZINC000306214996 323172067 /nfs/dbraw/zinc/17/20/67/323172067.db2.gz YJOPGDWCRNBCFW-SECBINFHSA-N 0 1 203.326 2.316 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H](C)CC(C)C)n[nH]1 ZINC000603486533 349978981 /nfs/dbraw/zinc/97/89/81/349978981.db2.gz RDORTPJEWNWBOW-JTQLQIEISA-N 0 1 237.347 2.407 20 0 BEADMN CCc1ccsc1C(=O)NCc1cc(C)[nH]n1 ZINC000603484648 349978429 /nfs/dbraw/zinc/97/84/29/349978429.db2.gz APZLNJXHKJBVBS-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC1OCCO1 ZINC000272003125 179334154 /nfs/dbraw/zinc/33/41/54/179334154.db2.gz ASADBYSHZMVXLB-LBPRGKRZSA-N 0 1 235.327 2.361 20 0 BEADMN Cc1ccccc1[C@H]1CCCN1C(=O)CN(C)C ZINC000171387725 179347268 /nfs/dbraw/zinc/34/72/68/179347268.db2.gz WFJGVMYMKQIVOS-CQSZACIVSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1ccccc1[C@H]1CN(C[C@@H](C)O)[C@@H](C)CO1 ZINC000297906480 179349058 /nfs/dbraw/zinc/34/90/58/179349058.db2.gz RXBJPDNUROMTED-GZBFAFLISA-N 0 1 249.354 2.138 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C ZINC000295218850 179341870 /nfs/dbraw/zinc/34/18/70/179341870.db2.gz QSRKDJHOHKPBLW-SUHUHFCYSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCCC[C@H]1C ZINC000295743084 179342405 /nfs/dbraw/zinc/34/24/05/179342405.db2.gz OYLDXXZSSZQGCG-OCCSQVGLSA-N 0 1 246.354 2.396 20 0 BEADMN CCSCCN1CC2(CC2(F)F)C1 ZINC000594609113 348081463 /nfs/dbraw/zinc/08/14/63/348081463.db2.gz QIDOWSKNZXRXSO-UHFFFAOYSA-N 0 1 207.289 2.081 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(C[C@@H]1C[C@@H]1C)C2 ZINC000617099103 348085639 /nfs/dbraw/zinc/08/56/39/348085639.db2.gz UFRLKDQWGQIEQX-GWCFXTLKSA-N 0 1 245.322 2.445 20 0 BEADMN Cc1cccn2c(CN[C@@H](C)CF)cnc12 ZINC000336759045 179354875 /nfs/dbraw/zinc/35/48/75/179354875.db2.gz ZWGLBIMEVFWBMG-JTQLQIEISA-N 0 1 221.279 2.090 20 0 BEADMN Cc1cc(CN=c2[nH]c3ccccc3s2)[nH]n1 ZINC000603494862 349982270 /nfs/dbraw/zinc/98/22/70/349982270.db2.gz RIDANBLYYCYGTJ-UHFFFAOYSA-N 0 1 244.323 2.362 20 0 BEADMN Cc1cc(CN[C@@H](C)CSCCF)no1 ZINC000595018853 348170731 /nfs/dbraw/zinc/17/07/31/348170731.db2.gz TUGMBDJLSYEFTG-QMMMGPOBSA-N 0 1 232.324 2.164 20 0 BEADMN Cc1cccnc1-c1noc(CNCC(C)C)n1 ZINC000062743549 179358728 /nfs/dbraw/zinc/35/87/28/179358728.db2.gz DUMQNJXCMLANMD-UHFFFAOYSA-N 0 1 246.314 2.186 20 0 BEADMN C[C@@H](CSCCF)NCc1ncccc1F ZINC000595036353 348176329 /nfs/dbraw/zinc/17/63/29/348176329.db2.gz RKKDTDKACCRVHO-VIFPVBQESA-N 0 1 246.326 2.402 20 0 BEADMN C[C@H](CSCCF)NCc1ncccc1F ZINC000595036352 348176405 /nfs/dbraw/zinc/17/64/05/348176405.db2.gz RKKDTDKACCRVHO-SECBINFHSA-N 0 1 246.326 2.402 20 0 BEADMN C[C@H]1N(CCOCC2CCC2)CCOC1(C)C ZINC000419233098 192112842 /nfs/dbraw/zinc/11/28/42/192112842.db2.gz LAUJSTKDEWQMJN-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H](N[C@@H](C)CSCCF)c1ccn(C)n1 ZINC000595050412 348180604 /nfs/dbraw/zinc/18/06/04/348180604.db2.gz HLJPIACYWYEKCD-VHSXEESVSA-N 0 1 245.367 2.162 20 0 BEADMN CCn1ccc(CN[C@@H](C)CSCCF)n1 ZINC000595050049 348180862 /nfs/dbraw/zinc/18/08/62/348180862.db2.gz FFXSPSRNPJVDRH-JTQLQIEISA-N 0 1 245.367 2.084 20 0 BEADMN CCc1ncc(CN[C@@H](C)CSCCF)o1 ZINC000595052096 348181381 /nfs/dbraw/zinc/18/13/81/348181381.db2.gz QNBGGQDJUKUGPY-VIFPVBQESA-N 0 1 246.351 2.418 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@@H](C3CC3)C2)nn1 ZINC000377200741 187388713 /nfs/dbraw/zinc/38/87/13/187388713.db2.gz ZRTWQJRJZBXYHD-GFCCVEGCSA-N 0 1 248.374 2.265 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCCC12CCCCC2 ZINC000617104984 348203290 /nfs/dbraw/zinc/20/32/90/348203290.db2.gz BAVHUYWPUGQBDP-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CCC1CCC1 ZINC000595321881 348226596 /nfs/dbraw/zinc/22/65/96/348226596.db2.gz NXJASWXMYVCLEG-JRPNMDOOSA-N 0 1 229.389 2.018 20 0 BEADMN CSCCCN(C)Cc1cc(C)nc(C)n1 ZINC000595470702 348259416 /nfs/dbraw/zinc/25/94/16/348259416.db2.gz QMLFYPXSRSLQHH-UHFFFAOYSA-N 0 1 239.388 2.278 20 0 BEADMN COC(=O)CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595341520 348233640 /nfs/dbraw/zinc/23/36/40/348233640.db2.gz BYYVWRCRMVNBPE-UTUOFQBUSA-N 0 1 237.343 2.060 20 0 BEADMN CCN(CCSC)Cc1cc(C)nc(C)n1 ZINC000595567102 348283755 /nfs/dbraw/zinc/28/37/55/348283755.db2.gz JBOJIOZMRUBZME-UHFFFAOYSA-N 0 1 239.388 2.278 20 0 BEADMN COC(=O)CN1CCCC2(CCCC2)CC1 ZINC000595643239 348304758 /nfs/dbraw/zinc/30/47/58/348304758.db2.gz WFHKQNOMIORIMK-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2C[C@H]2C1 ZINC000595809487 348349304 /nfs/dbraw/zinc/34/93/04/348349304.db2.gz RPAZIAVSMCYZPQ-VWYCJHECSA-N 0 1 225.332 2.058 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@H]3C[C@H]3C2)o1 ZINC000595809541 348349488 /nfs/dbraw/zinc/34/94/88/348349488.db2.gz GVUPLTAFOOATOU-QWRGUYRKSA-N 0 1 249.310 2.298 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]3C[C@H]3C2)oc1C ZINC000595810663 348350114 /nfs/dbraw/zinc/35/01/14/348350114.db2.gz ZLOMGWVAXILBDA-QWRGUYRKSA-N 0 1 249.310 2.216 20 0 BEADMN CCC(CC)NC(=O)c1[nH]nc2c1CCCC2 ZINC000642199712 362912968 /nfs/dbraw/zinc/91/29/68/362912968.db2.gz XSTGCIXVRLTNOV-UHFFFAOYSA-N 0 1 235.331 2.207 20 0 BEADMN CC/C=C\CCN1CC2CC1(C(=O)OCC)C2 ZINC000595872728 348386318 /nfs/dbraw/zinc/38/63/18/348386318.db2.gz XEOIVBJHXFXBQH-WAYWQWQTSA-N 0 1 237.343 2.370 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1ccncc1Cl ZINC000623495054 362918299 /nfs/dbraw/zinc/91/82/99/362918299.db2.gz OIAINRMVYFTYHJ-VUDBWIFFSA-N 0 1 240.734 2.152 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1ccncc1Cl ZINC000623495053 362918984 /nfs/dbraw/zinc/91/89/84/362918984.db2.gz OIAINRMVYFTYHJ-QUCGXOGASA-N 0 1 240.734 2.152 20 0 BEADMN COC(=O)c1cc(CN2CC3CC2(C)C3)oc1C ZINC000595914897 348399673 /nfs/dbraw/zinc/39/96/73/348399673.db2.gz GHVCQKUIDSYKOP-UHFFFAOYSA-N 0 1 249.310 2.359 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CS[C@H](C)C2)n1 ZINC000397840891 362923103 /nfs/dbraw/zinc/92/31/03/362923103.db2.gz BWUINUCLPRVIQX-PWSUYJOCSA-N 0 1 239.388 2.448 20 0 BEADMN CCc1nnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)o1 ZINC000419397076 192131209 /nfs/dbraw/zinc/13/12/09/192131209.db2.gz UELCLOQZKQFNLI-GUBZILKMSA-N 0 1 223.320 2.108 20 0 BEADMN Cc1ccnc([C@H](C)N[C@@H](CO)CC(F)F)c1 ZINC000353588316 179467496 /nfs/dbraw/zinc/46/74/96/179467496.db2.gz LSDPCXFSHJLTDM-VHSXEESVSA-N 0 1 244.285 2.057 20 0 BEADMN CC[C@@H]1CCCN(Cc2nccn2C)C1 ZINC000205538290 348544372 /nfs/dbraw/zinc/54/43/72/348544372.db2.gz WSWBDQVSSRCGMB-LLVKDONJSA-N 0 1 207.321 2.042 20 0 BEADMN C[C@@H](N(C)Cc1ccn(C)n1)C(C)(C)C ZINC000535827173 323192762 /nfs/dbraw/zinc/19/27/62/323192762.db2.gz DGHUQGIAFVINHM-SNVBAGLBSA-N 0 1 209.337 2.287 20 0 BEADMN CSCCCN(C)Cc1cnc2n1CCC2 ZINC000597126129 348664435 /nfs/dbraw/zinc/66/44/35/348664435.db2.gz NKJXIZRGTPNCEI-UHFFFAOYSA-N 0 1 239.388 2.014 20 0 BEADMN COC(=O)c1ccc(CN2C[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000597159743 348666572 /nfs/dbraw/zinc/66/65/72/348666572.db2.gz RKSOCUKVIRYCQX-GWCFXTLKSA-N 0 1 248.326 2.176 20 0 BEADMN Cc1cc[nH+]c(NC2CCC(C(=O)[O-])CC2)c1 ZINC000212881511 348739344 /nfs/dbraw/zinc/73/93/44/348739344.db2.gz ZZQDLWINRGLWPT-UHFFFAOYSA-N 0 1 234.299 2.445 20 0 BEADMN CO[C@@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000069847823 490189048 /nfs/dbraw/zinc/18/90/48/490189048.db2.gz YZHUFJVHNQCVKF-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN CO[C@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000069847821 490189081 /nfs/dbraw/zinc/18/90/81/490189081.db2.gz YZHUFJVHNQCVKF-JQWIXIFHSA-N 0 1 224.304 2.030 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])CCC(F)(F)F ZINC000308820924 348711007 /nfs/dbraw/zinc/71/10/07/348711007.db2.gz BXQWGYRVCVZCNO-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN Cc1nc(C)c(CNCCOC(C)(C)C)o1 ZINC000311749661 350000667 /nfs/dbraw/zinc/00/06/67/350000667.db2.gz CSQVPUSPSLSPGN-UHFFFAOYSA-N 0 1 226.320 2.196 20 0 BEADMN COC(C)(C)CNCc1cc(C2CC2)no1 ZINC000638702563 352539657 /nfs/dbraw/zinc/53/96/57/352539657.db2.gz PFQZWPDUWOKKKH-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000054053205 348849632 /nfs/dbraw/zinc/84/96/32/348849632.db2.gz QAMRJCMWLIWHIZ-QMMMGPOBSA-N 0 1 233.271 2.026 20 0 BEADMN CC(C)NCc1nc(-c2ccccc2F)no1 ZINC000054444453 349033545 /nfs/dbraw/zinc/03/35/45/349033545.db2.gz RUIYWJTZKKSMQO-UHFFFAOYSA-N 0 1 235.262 2.374 20 0 BEADMN C/C=C/CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000599084891 349090046 /nfs/dbraw/zinc/09/00/46/349090046.db2.gz UGMMVXSGNFEDOP-XNPJLODASA-N 0 1 223.272 2.293 20 0 BEADMN COCCN[C@H](C)c1ccncc1Cl ZINC000421798640 192383353 /nfs/dbraw/zinc/38/33/53/192383353.db2.gz BSDMULCTYYGTHB-MRVPVSSYSA-N 0 1 214.696 2.032 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCC[C@H]2C)n1 ZINC000248779044 349148912 /nfs/dbraw/zinc/14/89/12/349148912.db2.gz UUSLOBOBSCHPAM-NXEZZACHSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC[C@H]2C)n1 ZINC000248779044 349148915 /nfs/dbraw/zinc/14/89/15/349148915.db2.gz UUSLOBOBSCHPAM-NXEZZACHSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1ncc(CNC[C@H]2CCC(C)(C)O2)o1 ZINC000397907926 362938521 /nfs/dbraw/zinc/93/85/21/362938521.db2.gz GAQQEEQUHAJVPB-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1csc(CN2CCC[C@H](C)[C@@H]2CO)n1 ZINC000305695650 179772571 /nfs/dbraw/zinc/77/25/71/179772571.db2.gz UJDCFKUQCPHWBT-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN CCCN(CC(=O)OC)CC1CC(C)(C)C1 ZINC000599266925 349135697 /nfs/dbraw/zinc/13/56/97/349135697.db2.gz VALZWRFSKJARSN-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CCn1ccnc1CN[C@@H]1CC[C@H](C)SC1 ZINC000655773167 490229145 /nfs/dbraw/zinc/22/91/45/490229145.db2.gz TWPCUKZCRQYMLR-WDEREUQCSA-N 0 1 239.388 2.277 20 0 BEADMN C[C@H]1CCCN(Cc2ncccn2)[C@H]1C ZINC000248912547 349157805 /nfs/dbraw/zinc/15/78/05/349157805.db2.gz YLKNGJGWFSKUEN-QWRGUYRKSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000253077653 349225974 /nfs/dbraw/zinc/22/59/74/349225974.db2.gz SHCJGORTJVWIHS-WDEREUQCSA-N 0 1 248.326 2.258 20 0 BEADMN CC(C)SCCN1CCO[C@H](CCF)C1 ZINC000599634858 349237188 /nfs/dbraw/zinc/23/71/88/349237188.db2.gz MFPDUYWSBLGGTA-LLVKDONJSA-N 0 1 235.368 2.188 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc(C)c(C)s1 ZINC000122151972 490238254 /nfs/dbraw/zinc/23/82/54/490238254.db2.gz RQCWEOFODSQPIG-CBAPKCEASA-N 0 1 228.361 2.273 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccc(F)cc1 ZINC000036864589 179824560 /nfs/dbraw/zinc/82/45/60/179824560.db2.gz VXDBUASZZQYNSH-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN Cc1nc(CN(Cc2ccco2)C(C)C)n[nH]1 ZINC000291998634 179833768 /nfs/dbraw/zinc/83/37/68/179833768.db2.gz BKNQGHSUMRYLIK-UHFFFAOYSA-N 0 1 234.303 2.117 20 0 BEADMN Cc1nc(CNC(C)(C)c2ccccc2F)n[nH]1 ZINC000292111824 179835448 /nfs/dbraw/zinc/83/54/48/179835448.db2.gz JBPPOAARWZRZNN-UHFFFAOYSA-N 0 1 248.305 2.277 20 0 BEADMN Cc1n[nH]cc1CN1CCC(C(F)(F)F)CC1 ZINC000179965874 179843807 /nfs/dbraw/zinc/84/38/07/179843807.db2.gz XRHXXYVJKXLYAP-UHFFFAOYSA-N 0 1 247.264 2.492 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1c(C)oc(C)c1C ZINC000037983037 179853812 /nfs/dbraw/zinc/85/38/12/179853812.db2.gz KPPSUZNJJYPAHV-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C(C)(C)C(=O)[O-] ZINC000061172445 349363431 /nfs/dbraw/zinc/36/34/31/349363431.db2.gz IFLMEPHUAPZROO-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN C[N@H+](Cc1nc2ccccc2o1)C(C)(C)C(=O)[O-] ZINC000061171763 349364017 /nfs/dbraw/zinc/36/40/17/349364017.db2.gz PZWORFHUKBIOJS-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN C[N@@H+](Cc1nc2ccccc2o1)C(C)(C)C(=O)[O-] ZINC000061171763 349364021 /nfs/dbraw/zinc/36/40/21/349364021.db2.gz PZWORFHUKBIOJS-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061448896 349368546 /nfs/dbraw/zinc/36/85/46/349368546.db2.gz JYOOQOOCZJRRMO-ZDUSSCGKSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000300902403 349425283 /nfs/dbraw/zinc/42/52/83/349425283.db2.gz WJWNLXHDAHCXBG-SDDRHHMPSA-N 0 1 227.348 2.464 20 0 BEADMN CSCCNCc1nc2cc(F)ccc2o1 ZINC000601995567 349415552 /nfs/dbraw/zinc/41/55/52/349415552.db2.gz FCWRWVGLXWBAMN-UHFFFAOYSA-N 0 1 240.303 2.420 20 0 BEADMN CSCC1(CCNCc2ccon2)CC1 ZINC000602027207 349420686 /nfs/dbraw/zinc/42/06/86/349420686.db2.gz FCULJBPWQZKRSQ-UHFFFAOYSA-N 0 1 226.345 2.298 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000302370310 350083347 /nfs/dbraw/zinc/08/33/47/350083347.db2.gz ZAIXBJWGBSWKKH-JTQLQIEISA-N 0 1 244.294 2.140 20 0 BEADMN Cc1nnc(CN[C@@H]2CC=C(C)CC2)s1 ZINC000309114719 350033390 /nfs/dbraw/zinc/03/33/90/350033390.db2.gz KYZFNIXRKCUXAU-SNVBAGLBSA-N 0 1 223.345 2.435 20 0 BEADMN Cc1nnc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC000183943062 180007355 /nfs/dbraw/zinc/00/73/55/180007355.db2.gz ZFESRBREQKQSBR-HTQZYQBOSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)CC2CCCC2)[nH]1 ZINC000114328924 180009754 /nfs/dbraw/zinc/00/97/54/180009754.db2.gz OJJYGQQDLHVTEK-QMMMGPOBSA-N 0 1 236.319 2.268 20 0 BEADMN CC(C)C[N@@H+](C)CCCCCC(=O)[O-] ZINC000071286279 350096779 /nfs/dbraw/zinc/09/67/79/350096779.db2.gz IJRMIILAVFIGAI-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1nc([C@@H](C)N2CCC(C(F)F)CC2)n[nH]1 ZINC000336283902 180033264 /nfs/dbraw/zinc/03/32/64/180033264.db2.gz ALJHAWNKOXFYFT-SSDOTTSWSA-N 0 1 244.289 2.151 20 0 BEADMN Cc1nc([C@@H](C)NCC2(C)COC2)cs1 ZINC000087197165 180035972 /nfs/dbraw/zinc/03/59/72/180035972.db2.gz HVPVIGCVFONKIJ-MRVPVSSYSA-N 0 1 226.345 2.139 20 0 BEADMN Cc1nc([C@@H](C)NCC2(CO)CCC2)cs1 ZINC000309510647 180036097 /nfs/dbraw/zinc/03/60/97/180036097.db2.gz XETMJDZYSMRSBU-SECBINFHSA-N 0 1 240.372 2.265 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CC[C@@H](CO)C2)cs1 ZINC000296658275 180036762 /nfs/dbraw/zinc/03/67/62/180036762.db2.gz ZOGSTIBBVBECOZ-IEBDPFPHSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H](CO)C2CC2)cs1 ZINC000309606118 180038203 /nfs/dbraw/zinc/03/82/03/180038203.db2.gz YRDJTRYAZJPEJU-LDYMZIIASA-N 0 1 240.372 2.121 20 0 BEADMN Cc1nc([C@@H](C)NCCc2cn[nH]c2)cs1 ZINC000289574318 180038212 /nfs/dbraw/zinc/03/82/12/180038212.db2.gz BCTFUTGKBGQKRH-MRVPVSSYSA-N 0 1 236.344 2.068 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCCC[C@H]2O)cs1 ZINC000250906630 180051823 /nfs/dbraw/zinc/05/18/23/180051823.db2.gz SNRHEXLRHAPONY-MKPLZMMCSA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nnc([C@H]2CCCCN2CC2CC2)[nH]1 ZINC000336552658 180055473 /nfs/dbraw/zinc/05/54/73/180055473.db2.gz VDPGAVKGGYXHQK-LLVKDONJSA-N 0 1 220.320 2.050 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCCC2)[nH]1 ZINC000074732526 180062666 /nfs/dbraw/zinc/06/26/66/180062666.db2.gz HVTCTIVOOAIAGS-UHFFFAOYSA-N 0 1 229.283 2.107 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000304197055 350148651 /nfs/dbraw/zinc/14/86/51/350148651.db2.gz UWYIDVPESRCNAG-MWLCHTKSSA-N 0 1 247.285 2.218 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304199080 350148970 /nfs/dbraw/zinc/14/89/70/350148970.db2.gz VVGZZQVSTQZATK-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304199082 350148996 /nfs/dbraw/zinc/14/89/96/350148996.db2.gz VVGZZQVSTQZATK-UWVGGRQHSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1nc2ccc(Cn3ccnc3C)cc2[nH]1 ZINC000358860279 180093299 /nfs/dbraw/zinc/09/32/99/180093299.db2.gz LISIPTAZFOZTDO-UHFFFAOYSA-N 0 1 226.283 2.425 20 0 BEADMN CCOC(=O)CN(CC)C[C@H]1CCC(F)(F)C1 ZINC000304157693 350141592 /nfs/dbraw/zinc/14/15/92/350141592.db2.gz AHYJSATZLHDHGB-JTQLQIEISA-N 0 1 249.301 2.307 20 0 BEADMN CC(C)SCCNCc1ncnn1C(C)C ZINC000309201291 350168282 /nfs/dbraw/zinc/16/82/82/350168282.db2.gz LKXUMCILHAULRF-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304629450 350158924 /nfs/dbraw/zinc/15/89/24/350158924.db2.gz QKQYEJPJHZJUGM-DTWKUNHWSA-N 0 1 238.287 2.136 20 0 BEADMN Cc1cnc([C@H](C)N(C)CCOCC2CC2)cn1 ZINC000428246438 191049981 /nfs/dbraw/zinc/04/99/81/191049981.db2.gz LQVBJBAKKOAWSG-LBPRGKRZSA-N 0 1 249.358 2.204 20 0 BEADMN Cc1ncc(CN(C)CCOC2CCC2)s1 ZINC000286692147 180138415 /nfs/dbraw/zinc/13/84/15/180138415.db2.gz BPNQLRVTGHHKKG-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncc(CN2CC(C)(C)[C@@H]2C2CC2)cn1 ZINC000335675175 180141807 /nfs/dbraw/zinc/14/18/07/180141807.db2.gz FNUBYOCKOUBXEL-ZDUSSCGKSA-N 0 1 231.343 2.405 20 0 BEADMN Cc1ccccc1CNCc1cnc(C)nc1 ZINC000339281553 180153553 /nfs/dbraw/zinc/15/35/53/180153553.db2.gz RFFPVWOXWCPLMV-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cn[nH]c2)s1 ZINC000229882125 180153685 /nfs/dbraw/zinc/15/36/85/180153685.db2.gz CMVGKJPIXOWFLQ-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1ccsc1CNCc1cnc(C)nc1 ZINC000309686870 180155236 /nfs/dbraw/zinc/15/52/36/180155236.db2.gz HOFVMUYDUABBHP-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1ncc(CN[C@H]2CCC[C@H]2F)s1 ZINC000307376901 180158599 /nfs/dbraw/zinc/15/85/99/180158599.db2.gz WEFULJZXZCXEIN-ZJUUUORDSA-N 0 1 214.309 2.432 20 0 BEADMN Cc1nccc(N2CC[C@@](C)(O)C2)c1Cl ZINC000308892915 180194215 /nfs/dbraw/zinc/19/42/15/180194215.db2.gz YMJKEYWQLBLXDI-LLVKDONJSA-N 0 1 226.707 2.005 20 0 BEADMN Cc1nccc(N2C[C@@H](O)C(C)(C)C2)c1Cl ZINC000334207088 180194889 /nfs/dbraw/zinc/19/48/89/180194889.db2.gz JKSSASZDAMZZRU-SNVBAGLBSA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(NCC[C@H](C)O)c1Cl ZINC000306205349 180197425 /nfs/dbraw/zinc/19/74/25/180197425.db2.gz ORJXLWLDFHHCOS-ZETCQYMHSA-N 0 1 214.696 2.226 20 0 BEADMN Cc1nccc(N[C@@H]2CCOC2)c1Cl ZINC000307616679 180202389 /nfs/dbraw/zinc/20/23/89/180202389.db2.gz UACUMUMNYGXNPZ-MRVPVSSYSA-N 0 1 212.680 2.244 20 0 BEADMN Cc1nccc(NCc2ccn(C)n2)c1Cl ZINC000309188373 180203034 /nfs/dbraw/zinc/20/30/34/180203034.db2.gz AEPLOCFQOHLBQV-UHFFFAOYSA-N 0 1 236.706 2.389 20 0 BEADMN Cc1nccc(CN2CCCO[C@H](C(C)C)C2)n1 ZINC000339810773 180184846 /nfs/dbraw/zinc/18/48/46/180184846.db2.gz GZGFQNSAAWKXNN-AWEZNQCLSA-N 0 1 249.358 2.032 20 0 BEADMN CC(C)SCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000309251135 350234511 /nfs/dbraw/zinc/23/45/11/350234511.db2.gz ONJVMJUFLOJGNB-UHFFFAOYSA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1N(C)c1nccnc1CN ZINC001639625273 1172123607 /nfs/dbraw/zinc/12/36/07/1172123607.db2.gz AMLKCPBJYHUIDK-YPMHNXCESA-N 0 1 248.374 2.340 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)c2cccs2)n[nH]1 ZINC000606372306 350321307 /nfs/dbraw/zinc/32/13/07/350321307.db2.gz OKEOTUMXDHYHSB-VIFPVBQESA-N 0 1 249.339 2.200 20 0 BEADMN C[C@@H](NC[C@@H](O)C(F)F)c1ccccc1F ZINC000224438127 350321616 /nfs/dbraw/zinc/32/16/16/350321616.db2.gz RNKCBYNXBKBSEF-GMSGAONNSA-N 0 1 233.233 2.102 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H]1CSC1(C)C ZINC000283191964 180281627 /nfs/dbraw/zinc/28/16/27/180281627.db2.gz KQOUCKBXWRPENL-NXEZZACHSA-N 0 1 237.372 2.330 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCCCCF)C1 ZINC000309140375 323319748 /nfs/dbraw/zinc/31/97/48/323319748.db2.gz WQHFJWLKLSXKKJ-LBPRGKRZSA-N 0 1 231.311 2.313 20 0 BEADMN Fc1ccc(-n2cc([C@H]3CCCCN3)nn2)cc1 ZINC000725263243 538089675 /nfs/dbraw/zinc/08/96/75/538089675.db2.gz YWLBGKJFYJVOGJ-GFCCVEGCSA-N 0 1 246.289 2.221 20 0 BEADMN CCC[C@@H](CC)NC(=O)NCc1cc(C)[nH]n1 ZINC000606494653 350345832 /nfs/dbraw/zinc/34/58/32/350345832.db2.gz UUCSGFYPYJZVOT-SNVBAGLBSA-N 0 1 238.335 2.096 20 0 BEADMN Cc1ncsc1-c1nc([C@H](N)C(C)C)no1 ZINC000041052653 180302145 /nfs/dbraw/zinc/30/21/45/180302145.db2.gz ODUWBDAGODDXER-SSDOTTSWSA-N 0 1 238.316 2.157 20 0 BEADMN Cc1ncsc1CC[N@@H+]1CCOCC[C@H]1C ZINC000364298602 180309808 /nfs/dbraw/zinc/30/98/08/180309808.db2.gz GXCLYQMDOUPESJ-SNVBAGLBSA-N 0 1 240.372 2.105 20 0 BEADMN Cc1cc(N(C)C)nc(NCC2(C)CC2)n1 ZINC000309403869 350371590 /nfs/dbraw/zinc/37/15/90/350371590.db2.gz AOMOFHQUDFRLKZ-UHFFFAOYSA-N 0 1 220.320 2.063 20 0 BEADMN C[C@@H]1CC[C@@]2(CC[N@@H+](CCCC(=O)[O-])C2)C1 ZINC000309421757 350374798 /nfs/dbraw/zinc/37/47/98/350374798.db2.gz ZSUVOUKCDNMGSK-DGCLKSJQSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nn(-c2ccncc2)cc1C[N@@H+](C)C(C)C ZINC000346118074 180330296 /nfs/dbraw/zinc/33/02/96/180330296.db2.gz CSJCNWZTKBXSLF-UHFFFAOYSA-N 0 1 244.342 2.416 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1cn[nH]c1 ZINC000229881978 180322215 /nfs/dbraw/zinc/32/22/15/180322215.db2.gz STHPRNQNHILBPT-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000162770003 350424071 /nfs/dbraw/zinc/42/40/71/350424071.db2.gz MQRZAUNCBREPOP-GHMZBOCLSA-N 0 1 246.310 2.031 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1cccc(O)c1 ZINC000111363389 180340253 /nfs/dbraw/zinc/34/02/53/180340253.db2.gz VNUGKQGYECOJDB-UHFFFAOYSA-N 0 1 245.326 2.032 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CCC[C@@H]1CO ZINC000428233092 191106868 /nfs/dbraw/zinc/10/68/68/191106868.db2.gz XOQWBRABIUWGCR-LLVKDONJSA-N 0 1 238.331 2.063 20 0 BEADMN Cc1cccc2c1cc[nH+]c2N(C)CCC(=O)[O-] ZINC000577493190 365968508 /nfs/dbraw/zinc/96/85/08/365968508.db2.gz WUKPWLPGKMGQLO-UHFFFAOYSA-N 0 1 244.294 2.454 20 0 BEADMN C[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000092471624 490576761 /nfs/dbraw/zinc/57/67/61/490576761.db2.gz QSVSZGJWIRVYFZ-BDJLRTHQSA-N 0 1 237.368 2.266 20 0 BEADMN CCC(O)(CC)CN(C)Cc1nc(C)cs1 ZINC000305815719 490621566 /nfs/dbraw/zinc/62/15/66/490621566.db2.gz KRRCVQDQXVZOHN-UHFFFAOYSA-N 0 1 242.388 2.434 20 0 BEADMN c1cc(CNCc2cncs2)cs1 ZINC000063152519 350573993 /nfs/dbraw/zinc/57/39/93/350573993.db2.gz PNEGMNHLBQEWKA-UHFFFAOYSA-N 0 1 210.327 2.494 20 0 BEADMN CCCC[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000337106333 350554805 /nfs/dbraw/zinc/55/48/05/350554805.db2.gz SGWDSPROAKCFEO-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000337189519 350562018 /nfs/dbraw/zinc/56/20/18/350562018.db2.gz VTLVJCFMUNKNEU-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CCN(C[C@@H](C)CC(C)C)[C@@H](C)C1=O ZINC000337206068 350564243 /nfs/dbraw/zinc/56/42/43/350564243.db2.gz LWQHENQPJXVWQT-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)[nH]1 ZINC000355790805 350600274 /nfs/dbraw/zinc/60/02/74/350600274.db2.gz YJRKLOITWQDQRU-GMTAPVOTSA-N 0 1 236.363 2.234 20 0 BEADMN CC[C@@H](c1ccccc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000338375575 350680956 /nfs/dbraw/zinc/68/09/56/350680956.db2.gz HMSFPBDOQBHSHE-ZNMIVQPWSA-N 0 1 247.338 2.237 20 0 BEADMN Cc1ccnc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000339301064 350746800 /nfs/dbraw/zinc/74/68/00/350746800.db2.gz CMSVZYZHIUULNA-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1ccnc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000339301064 350746805 /nfs/dbraw/zinc/74/68/05/350746805.db2.gz CMSVZYZHIUULNA-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN CCCC[C@H](C(=O)OC)N1C[C@H](C)[C@H]1C ZINC000339572567 350764960 /nfs/dbraw/zinc/76/49/60/350764960.db2.gz FQSNYWAWFFKDFR-HBNTYKKESA-N 0 1 213.321 2.058 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000628308058 350725628 /nfs/dbraw/zinc/72/56/28/350725628.db2.gz TVYAVIURUUVYHR-PHIMTYICSA-N 0 1 236.315 2.209 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cnc(C)o1 ZINC000628309009 350784820 /nfs/dbraw/zinc/78/48/20/350784820.db2.gz XBJSBGIXTHYYMB-GFCCVEGCSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@H]2CC2(F)F)o1 ZINC000628311354 350811968 /nfs/dbraw/zinc/81/19/68/350811968.db2.gz JTNGEITURFKULE-IMTBSYHQSA-N 0 1 216.231 2.116 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)n[nH]1 ZINC000607121428 350923230 /nfs/dbraw/zinc/92/32/30/350923230.db2.gz NLZAUSBQXAOAHT-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N(C)CCCO ZINC000052075254 350930945 /nfs/dbraw/zinc/93/09/45/350930945.db2.gz MPVARLAGCARFKC-VIFPVBQESA-N 0 1 229.270 2.340 20 0 BEADMN CCC1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000052279518 350942170 /nfs/dbraw/zinc/94/21/70/350942170.db2.gz MYAVQGQQEIEOEN-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(CC)CC1 ZINC000052280015 350942220 /nfs/dbraw/zinc/94/22/20/350942220.db2.gz OCRVUEUSIYVYGL-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN COc1ncncc1CN[C@H]1CC12CCCCC2 ZINC000623569086 362996349 /nfs/dbraw/zinc/99/63/49/362996349.db2.gz UMUVNLIMXKWXER-LBPRGKRZSA-N 0 1 247.342 2.298 20 0 BEADMN CC(C)(C)n1cc(CN[C@@H]2CCC2(C)C)nn1 ZINC000310264983 191128683 /nfs/dbraw/zinc/12/86/83/191128683.db2.gz HEIIWHFSURLOQR-LLVKDONJSA-N 0 1 236.363 2.311 20 0 BEADMN CCCc1ccc(CNCc2c[nH]nn2)cc1 ZINC000623577450 363008092 /nfs/dbraw/zinc/00/80/92/363008092.db2.gz OYWPNUFWAZXDJH-UHFFFAOYSA-N 0 1 230.315 2.047 20 0 BEADMN CCCNC(=O)CN(Cc1ccccc1)C(C)C ZINC000052877110 351076814 /nfs/dbraw/zinc/07/68/14/351076814.db2.gz HGXCVIXNHBVBTO-UHFFFAOYSA-N 0 1 248.370 2.423 20 0 BEADMN CC1(C[NH2+]Cc2cnn[n-]2)CCCCCC1 ZINC000398374759 351124845 /nfs/dbraw/zinc/12/48/45/351124845.db2.gz FALWZSFEDOXSBF-UHFFFAOYSA-N 0 1 222.336 2.255 20 0 BEADMN CC(C)(C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071027587 351146018 /nfs/dbraw/zinc/14/60/18/351146018.db2.gz PXJJZGZQNAILMO-UHFFFAOYSA-N 0 1 244.298 2.252 20 0 BEADMN CC(C)c1cccc(CNCc2c[nH]nn2)c1 ZINC000623578627 363011438 /nfs/dbraw/zinc/01/14/38/363011438.db2.gz QFROJXZYRBRGMR-UHFFFAOYSA-N 0 1 230.315 2.218 20 0 BEADMN Cc1cc(CNC[C@H]2CCC[C@H](C)O2)on1 ZINC000631174517 351228882 /nfs/dbraw/zinc/22/88/82/351228882.db2.gz NJBIQOCPAHNFHI-WDEREUQCSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CCC[C@@H](C)O2)o1 ZINC000628339681 351283641 /nfs/dbraw/zinc/28/36/41/351283641.db2.gz TVHUCPYPHNIXPR-BXKDBHETSA-N 0 1 238.331 2.339 20 0 BEADMN Cc1ncc(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000628328380 351266852 /nfs/dbraw/zinc/26/68/52/351266852.db2.gz MCOFLLVBIBIVGP-JQWIXIFHSA-N 0 1 206.289 2.357 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)c1cnc[nH]1 ZINC000265645235 351273153 /nfs/dbraw/zinc/27/31/53/351273153.db2.gz SXWNHKLSWMVWCL-UHFFFAOYSA-N 0 1 223.320 2.164 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@@H]1CF ZINC000335448725 133849132 /nfs/dbraw/zinc/84/91/32/133849132.db2.gz ZFDVOCXNVRUWLX-SECBINFHSA-N 0 1 241.237 2.105 20 0 BEADMN CCC[C@@H](CNCc1cscn1)OCC ZINC000623598225 363033481 /nfs/dbraw/zinc/03/34/81/363033481.db2.gz VSOJYEWFDJNCOC-NSHDSACASA-N 0 1 228.361 2.438 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000271304255 351411489 /nfs/dbraw/zinc/41/14/89/351411489.db2.gz VBWPUWBIZAFATF-GFCCVEGCSA-N 0 1 247.298 2.235 20 0 BEADMN CCC[C@H](CNCc1nc(C)c(C)[nH]1)OCC ZINC000623599796 363038828 /nfs/dbraw/zinc/03/88/28/363038828.db2.gz RHMSSFIHFDZNJD-GFCCVEGCSA-N 0 1 239.363 2.321 20 0 BEADMN CCc1nc(CN2CCc3cc(C)ccc32)n[nH]1 ZINC000274564177 351572866 /nfs/dbraw/zinc/57/28/66/351572866.db2.gz CWFLGQIKTYVJET-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000577647079 366030890 /nfs/dbraw/zinc/03/08/90/366030890.db2.gz GCRYGJWPKCQDTQ-GHMZBOCLSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@H](C(C)(C)C)C2)O1 ZINC000577703625 366039503 /nfs/dbraw/zinc/03/95/03/366039503.db2.gz FPRGHVQNYUASSM-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CN(Cc1ccnn1CC1CCC1)C1CC1 ZINC000637910073 351784320 /nfs/dbraw/zinc/78/43/20/351784320.db2.gz KTHUHUIXSVCNOG-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CCOC1CCN(Cc2ccns2)CC1 ZINC000637928395 351804922 /nfs/dbraw/zinc/80/49/22/351804922.db2.gz VYNQXFBJGWQNGI-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN CCC[C@H](C)N(C)C(=O)c1oc(CN)cc1C ZINC000637933156 351810474 /nfs/dbraw/zinc/81/04/74/351810474.db2.gz CMYGAEXPVOAVQY-JTQLQIEISA-N 0 1 238.331 2.307 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000280461364 351845209 /nfs/dbraw/zinc/84/52/09/351845209.db2.gz ZUSVYDWXUJWGJT-DGCLKSJQSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cc(CN(CCO)CC(C)(C)C)sn1 ZINC000638033386 351917335 /nfs/dbraw/zinc/91/73/35/351917335.db2.gz DNZSOHQFJOAVBK-UHFFFAOYSA-N 0 1 242.388 2.292 20 0 BEADMN CCN(Cc1cc(C)ccc1C)[C@H]1CCNC1=O ZINC000282205276 351926650 /nfs/dbraw/zinc/92/66/50/351926650.db2.gz CXYQJPJHPGVHMA-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CC[C@@H](NC(=O)CN1CCC(C)CC1)C1CC1 ZINC000618871218 351944495 /nfs/dbraw/zinc/94/44/95/351944495.db2.gz PNYUWWPXTBXHFO-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[N@@H+](Cc1ccoc1)Cc1ccc(=O)[nH]c1 ZINC000638016536 351894669 /nfs/dbraw/zinc/89/46/69/351894669.db2.gz SWJVAMFXYCBPOR-UHFFFAOYSA-N 0 1 232.283 2.402 20 0 BEADMN CCN(Cc1ccoc1)Cc1ccc(=O)[nH]c1 ZINC000638016536 351894673 /nfs/dbraw/zinc/89/46/73/351894673.db2.gz SWJVAMFXYCBPOR-UHFFFAOYSA-N 0 1 232.283 2.402 20 0 BEADMN Cn1nccc1CN[C@H](c1cccnc1)C1CC1 ZINC000340110071 351905154 /nfs/dbraw/zinc/90/51/54/351905154.db2.gz WKQKZQTZJZOKHX-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN Cn1c(C[N@@H+](C)[C@@H]2CCOC2)cc2ccccc21 ZINC000638030011 351911200 /nfs/dbraw/zinc/91/12/00/351911200.db2.gz YOXPEIPMXPTNRE-CYBMUJFWSA-N 0 1 244.338 2.399 20 0 BEADMN COCC1CCN(Cc2ccns2)CC1 ZINC000638032367 351911656 /nfs/dbraw/zinc/91/16/56/351911656.db2.gz YXVZFTGSCWTRNK-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1C[C@@H]2CCC[C@H]21 ZINC000638083729 351959209 /nfs/dbraw/zinc/95/92/09/351959209.db2.gz KPGZPEKRSQYOKH-XQQFMLRXSA-N 0 1 231.343 2.356 20 0 BEADMN Cc1ccc(CN2CCC(C)(O)CC2)c(F)c1 ZINC000638091799 351970143 /nfs/dbraw/zinc/97/01/43/351970143.db2.gz YXDYMHVXCBLBGT-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN COc1ncc(CN(C)CCC2CC2)s1 ZINC000638183634 352051258 /nfs/dbraw/zinc/05/12/58/352051258.db2.gz VPNCBTPJJXYZJP-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN C[C@@H]1CN(Cc2cncs2)C[C@@H](C)S1 ZINC000092540433 352137275 /nfs/dbraw/zinc/13/72/75/352137275.db2.gz DZQYNFIPVQFFDG-RKDXNWHRSA-N 0 1 228.386 2.469 20 0 BEADMN CCc1cc(CN[C@H](C)[C@H]2CC2(F)F)on1 ZINC000638273285 352110622 /nfs/dbraw/zinc/11/06/22/352110622.db2.gz GMWCLDRCZGUMNQ-GMSGAONNSA-N 0 1 230.258 2.370 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cc2c(cn1)OCCO2 ZINC000638277033 352114042 /nfs/dbraw/zinc/11/40/42/352114042.db2.gz XCQZLRXHKKGRDG-LBPRGKRZSA-N 0 1 248.326 2.083 20 0 BEADMN CCN1CCN(C(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000288411491 352148329 /nfs/dbraw/zinc/14/83/29/352148329.db2.gz LSVXQPUYRSPXOT-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CC1(C)C[C@@H]1NCc1cc(C2CC2)no1 ZINC000638407764 352213083 /nfs/dbraw/zinc/21/30/83/352213083.db2.gz WSXYXHWUAHTCBJ-NSHDSACASA-N 0 1 206.289 2.440 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1cnccn1 ZINC000528002438 323736837 /nfs/dbraw/zinc/73/68/37/323736837.db2.gz XWVHLNXRIWRZSG-UHTWSYAYSA-N 0 1 235.331 2.083 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2ccccc2F)n[nH]1 ZINC000411125549 191163728 /nfs/dbraw/zinc/16/37/28/191163728.db2.gz KEJNKFHERQBCED-SECBINFHSA-N 0 1 248.305 2.445 20 0 BEADMN Cc1ncc(CN2CCC(C)(F)CC2)n1C ZINC000630072297 363154947 /nfs/dbraw/zinc/15/49/47/363154947.db2.gz CCEMBHYADMGUDD-UHFFFAOYSA-N 0 1 225.311 2.053 20 0 BEADMN Cc1cnc(CNCCc2ccc(O)cc2)o1 ZINC000638437923 352245076 /nfs/dbraw/zinc/24/50/76/352245076.db2.gz GOALPJVGFIOZAF-UHFFFAOYSA-N 0 1 232.283 2.021 20 0 BEADMN CCCC[C@H](C)N(C)c1nc2[nH]ncc2c(=O)[nH]1 ZINC000290933466 352250462 /nfs/dbraw/zinc/25/04/62/352250462.db2.gz ZESOMRSLDOPCAE-QMMMGPOBSA-N 0 1 249.318 2.073 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000219829351 363142364 /nfs/dbraw/zinc/14/23/64/363142364.db2.gz NDWGZJAZQUXXIK-GFCCVEGCSA-N 0 1 225.357 2.267 20 0 BEADMN C[N@H+]1CCCN(CCCCC(F)(F)F)CC1 ZINC000411160087 191163423 /nfs/dbraw/zinc/16/34/23/191163423.db2.gz WJCJHNNLDXEWSU-UHFFFAOYSA-N 0 1 238.297 2.357 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1cccc(OC)c1 ZINC000292374028 352317736 /nfs/dbraw/zinc/31/77/36/352317736.db2.gz GWADJXMKIFUEFF-UHFFFAOYSA-N 0 1 246.314 2.148 20 0 BEADMN C[C@@H](CC1CCC1)NCc1csnn1 ZINC000398255441 363183530 /nfs/dbraw/zinc/18/35/30/363183530.db2.gz ZCJHWJKLSNOIKN-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1ccccc1 ZINC000292199968 352307193 /nfs/dbraw/zinc/30/71/93/352307193.db2.gz OPONATZVTYJZRD-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1ccccc1F ZINC000077373850 352309649 /nfs/dbraw/zinc/30/96/49/352309649.db2.gz DZBCOQWNBVOQCJ-LBPRGKRZSA-N 0 1 237.274 2.293 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])C[C@@H]1CCCO1 ZINC000083679457 352338028 /nfs/dbraw/zinc/33/80/28/352338028.db2.gz ZJWLEIIZPJJAET-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CCN(Cc1cccc(O)c1Cl)[C@@H](C)CO ZINC000293604422 352355764 /nfs/dbraw/zinc/35/57/64/352355764.db2.gz JMQYFQGPSZUNJN-VIFPVBQESA-N 0 1 243.734 2.248 20 0 BEADMN CS[C@H]1CCCCN(Cc2cn(C)cn2)C1 ZINC000618905459 352347173 /nfs/dbraw/zinc/34/71/73/352347173.db2.gz APTLYXLANJTCDT-LBPRGKRZSA-N 0 1 239.388 2.138 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@H](C(=O)[O-])C1 ZINC000383081273 352363369 /nfs/dbraw/zinc/36/33/69/352363369.db2.gz TULSQJGEICJNJA-WPRPVWTQSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)[nH]1 ZINC000411425933 191186544 /nfs/dbraw/zinc/18/65/44/191186544.db2.gz NBDQLWSIASLVLJ-GUBZILKMSA-N 0 1 222.336 2.152 20 0 BEADMN CCc1ccc(NC(=O)[C@H](C)N(C)C)cc1F ZINC000152402393 538103075 /nfs/dbraw/zinc/10/30/75/538103075.db2.gz UFXHKNNKPAYBAM-VIFPVBQESA-N 0 1 238.306 2.277 20 0 BEADMN Cc1cnc(CN[C@H](C)Cc2cccc(O)c2)o1 ZINC000638560008 352385843 /nfs/dbraw/zinc/38/58/43/352385843.db2.gz IEDWACVWZMGGCT-SNVBAGLBSA-N 0 1 246.310 2.409 20 0 BEADMN CC[C@@H](NCc1ccccc1F)[C@H](O)C(F)F ZINC000295113539 352397374 /nfs/dbraw/zinc/39/73/74/352397374.db2.gz VIUIQDJTFQCOFF-MNOVXSKESA-N 0 1 247.260 2.320 20 0 BEADMN C[C@@H]1COC[C@@H](c2ccccc2)N1CCCCO ZINC000411429567 191184191 /nfs/dbraw/zinc/18/41/91/191184191.db2.gz RDOOQGIXRODWGO-HIFRSBDPSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H](O)CCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000411417762 191184952 /nfs/dbraw/zinc/18/49/52/191184952.db2.gz FBIKZFNNTLQRLE-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN CCC[C@@H](O)CNCc1nc2ccccc2o1 ZINC000638587706 352417879 /nfs/dbraw/zinc/41/78/79/352417879.db2.gz IBZSVPMACHZXOB-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN Cc1ccoc1CN(C)[C@H](C)c1n[nH]c(C)n1 ZINC000411760325 191209045 /nfs/dbraw/zinc/20/90/45/191209045.db2.gz RXSYAMVKCKUATP-SECBINFHSA-N 0 1 234.303 2.208 20 0 BEADMN COC[C@@H]1CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411781794 191210037 /nfs/dbraw/zinc/21/00/37/191210037.db2.gz JKNYFFLCMAIIRE-MELADBBJSA-N 0 1 235.302 2.402 20 0 BEADMN CCN(Cc1cc(COC)on1)CC1CC1 ZINC000297621135 352480993 /nfs/dbraw/zinc/48/09/93/352480993.db2.gz HFVKDIVUHXHMAE-UHFFFAOYSA-N 0 1 224.304 2.053 20 0 BEADMN c1ccc2oc(CN[C@@H]3CCSC3)nc2c1 ZINC000638715530 352558213 /nfs/dbraw/zinc/55/82/13/352558213.db2.gz UCNJENCUCNIUOF-SECBINFHSA-N 0 1 234.324 2.423 20 0 BEADMN CC[C@H](COC)NCc1nc2ccccc2o1 ZINC000638669543 352511385 /nfs/dbraw/zinc/51/13/85/352511385.db2.gz DRZUWLUTOXQUNI-SNVBAGLBSA-N 0 1 234.299 2.342 20 0 BEADMN c1nc(CCNCc2cc(C3CC3)no2)cs1 ZINC000638684566 352522302 /nfs/dbraw/zinc/52/23/02/352522302.db2.gz UCNKNUKMNPQJJW-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN Cc1csc([C@@H](C)NC[C@@H]2CCCO2)n1 ZINC000045206273 352588368 /nfs/dbraw/zinc/58/83/68/352588368.db2.gz ONWUIJCZKVCBEV-ZJUUUORDSA-N 0 1 226.345 2.281 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@H](C2CC2)C1 ZINC000371308504 187754801 /nfs/dbraw/zinc/75/48/01/187754801.db2.gz OVRHKZUYPOVGQP-NSHDSACASA-N 0 1 225.332 2.060 20 0 BEADMN CO[C@](C)([C@H](C)NCc1nccc(C)n1)C1CC1 ZINC000411974143 191232896 /nfs/dbraw/zinc/23/28/96/191232896.db2.gz SVQVSLDGFSOFOY-SMDDNHRTSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1nccc(C)n1)C1CC1 ZINC000411974141 191233279 /nfs/dbraw/zinc/23/32/79/191233279.db2.gz SVQVSLDGFSOFOY-RISCZKNCSA-N 0 1 249.358 2.078 20 0 BEADMN CC(=O)Nc1ccccc1CN[C@H](C)CF ZINC000309751000 187804359 /nfs/dbraw/zinc/80/43/59/187804359.db2.gz KNTLDFQIUITYJX-SECBINFHSA-N 0 1 224.279 2.093 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1cscn1)C1CC1 ZINC000411961232 191235029 /nfs/dbraw/zinc/23/50/29/191235029.db2.gz ZRBBNRPHBKORDQ-SKDRFNHKSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1nccs1)C1CC1 ZINC000411969888 191235505 /nfs/dbraw/zinc/23/55/05/191235505.db2.gz MKLNNASIMMJZAE-CABZTGNLSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1nccs1)C1CC1 ZINC000411969892 191235670 /nfs/dbraw/zinc/23/56/70/191235670.db2.gz MKLNNASIMMJZAE-SKDRFNHKSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1nccs1)C1CC1 ZINC000411969887 191235698 /nfs/dbraw/zinc/23/56/98/191235698.db2.gz MKLNNASIMMJZAE-BXKDBHETSA-N 0 1 240.372 2.436 20 0 BEADMN c1cc(NCCC2CCOCC2)cc2[nH]nnc12 ZINC000638761676 352698642 /nfs/dbraw/zinc/69/86/42/352698642.db2.gz IHALEPXUDWPMQO-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN c1cc(NCCC2CCOCC2)cc2n[nH]nc12 ZINC000638761676 352698644 /nfs/dbraw/zinc/69/86/44/352698644.db2.gz IHALEPXUDWPMQO-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CC1(F)F ZINC000638762730 352700419 /nfs/dbraw/zinc/70/04/19/352700419.db2.gz YWJHIWPTNOHCHE-XPUUQOCRSA-N 0 1 238.241 2.414 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CC1(F)F ZINC000638762730 352700421 /nfs/dbraw/zinc/70/04/21/352700421.db2.gz YWJHIWPTNOHCHE-XPUUQOCRSA-N 0 1 238.241 2.414 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000638745503 352680855 /nfs/dbraw/zinc/68/08/55/352680855.db2.gz XWEVNRYQTYMTOX-IJLUTSLNSA-N 0 1 236.315 2.030 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1ncccc1F)OC ZINC000638777035 352724010 /nfs/dbraw/zinc/72/40/10/352724010.db2.gz BHCGUUXKRQJKAV-MFKMUULPSA-N 0 1 240.322 2.371 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@@H]1CC1(F)F ZINC000638777012 352724015 /nfs/dbraw/zinc/72/40/15/352724015.db2.gz AZOADAMLQOJLDK-SFYZADRCSA-N 0 1 230.233 2.354 20 0 BEADMN CCN1CCN(C(=O)CCC(C)(C)C)[C@H](C)C1 ZINC000341816082 352727426 /nfs/dbraw/zinc/72/74/26/352727426.db2.gz AMQKXGRLISWZAR-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(=O)N1CCN([C@@H]2/C=C/CCCCC2)CC1 ZINC000334475035 187828889 /nfs/dbraw/zinc/82/88/89/187828889.db2.gz LUXKEBXWSNHDRI-HZRUHFOJSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334176139 352761060 /nfs/dbraw/zinc/76/10/60/352761060.db2.gz CNKCDJICFJFCCY-SECBINFHSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@H]1CCCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334176144 352761178 /nfs/dbraw/zinc/76/11/78/352761178.db2.gz CNKCDJICFJFCCY-VIFPVBQESA-N 0 1 233.315 2.302 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000334179311 352766252 /nfs/dbraw/zinc/76/62/52/352766252.db2.gz AIMWCZACIHXVQK-GHMZBOCLSA-N 0 1 219.332 2.263 20 0 BEADMN C[C@H]1CC[C@H](CN2CCOC3(CCCC3)C2)O1 ZINC000334189103 352778564 /nfs/dbraw/zinc/77/85/64/352778564.db2.gz KQGRHTZBNCFFCG-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1nn(C)cc1CNc1cc2c(cn1)CCC2 ZINC000334236961 352855551 /nfs/dbraw/zinc/85/55/51/352855551.db2.gz ROTHMIDKFHLKIG-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN c1nc(NC2CCOCC2)cc2c1CCC2 ZINC000334239308 352858469 /nfs/dbraw/zinc/85/84/69/352858469.db2.gz KUPJFPFKTPDLDS-UHFFFAOYSA-N 0 1 218.300 2.161 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](CC)C2)n[nH]1 ZINC000031678337 352859567 /nfs/dbraw/zinc/85/95/67/352859567.db2.gz MHVYLFIFMYDOFW-JTQLQIEISA-N 0 1 235.331 2.234 20 0 BEADMN Cc1cnc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)n1C ZINC000342842026 352871261 /nfs/dbraw/zinc/87/12/61/352871261.db2.gz BODFABZLUWPPPP-NSHDSACASA-N 0 1 233.359 2.493 20 0 BEADMN Cc1cnc(CN2CC3(CCC3)C[C@@H]2C)n1C ZINC000342842026 352871265 /nfs/dbraw/zinc/87/12/65/352871265.db2.gz BODFABZLUWPPPP-NSHDSACASA-N 0 1 233.359 2.493 20 0 BEADMN O=C(N[C@H]1CC[C@H](F)C1)c1cccc2nc[nH]c21 ZINC000334228268 352845403 /nfs/dbraw/zinc/84/54/03/352845403.db2.gz ODUQLRXNVFSGJR-IUCAKERBSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1noc([C@H]2CCCN2CC2CCC2)n1 ZINC000334285098 352924478 /nfs/dbraw/zinc/92/44/78/352924478.db2.gz BQIAPJXVCBRDFJ-LLVKDONJSA-N 0 1 221.304 2.315 20 0 BEADMN Cn1nccc1[C@@H]1CCCCN1C[C@@H]1CCCO1 ZINC000334251535 352887857 /nfs/dbraw/zinc/88/78/57/352887857.db2.gz VKCOFTKOHZQUEN-JSGCOSHPSA-N 0 1 249.358 2.126 20 0 BEADMN CC1(C)CCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334266396 352902400 /nfs/dbraw/zinc/90/24/00/352902400.db2.gz ZBXXWKCVRJKPQF-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN Cc1ccccc1[C@]1(F)CCN(C[C@@H](C)O)C1 ZINC000334269057 352905451 /nfs/dbraw/zinc/90/54/51/352905451.db2.gz QEGSQWADKVOGBG-OCCSQVGLSA-N 0 1 237.318 2.246 20 0 BEADMN Cc1nnc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000334315601 352947168 /nfs/dbraw/zinc/94/71/68/352947168.db2.gz NWBLXZUHQUVMNJ-ZWNOBZJWSA-N 0 1 235.331 2.390 20 0 BEADMN CCCCN(C(=O)C[N@@H+](CC)C1CC1)C1CC1 ZINC000343101729 352968866 /nfs/dbraw/zinc/96/88/66/352968866.db2.gz ICUVJHCSBQLYJX-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CCCCN(C(=O)CN(CC)C1CC1)C1CC1 ZINC000343101729 352968868 /nfs/dbraw/zinc/96/88/68/352968868.db2.gz ICUVJHCSBQLYJX-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN C[C@H]1CN(CCC(F)(F)F)CCCO1 ZINC000334372921 353025842 /nfs/dbraw/zinc/02/58/42/353025842.db2.gz SFKCTXMKDPBBAX-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ncccc1C(C)C ZINC000334355701 352995328 /nfs/dbraw/zinc/99/53/28/352995328.db2.gz LAASCEBNMXKBIE-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC[C@](C)(C[N@H+]1CC[C@@H](C)[C@H](F)C1)OC ZINC000638910515 353074623 /nfs/dbraw/zinc/07/46/23/353074623.db2.gz RRDYJWHGGVTEOU-IJLUTSLNSA-N 0 1 217.328 2.481 20 0 BEADMN CCC[C@@H](C[N@H+]1CCO[C@@H](C(C)C)C1)OC ZINC000638910588 353074753 /nfs/dbraw/zinc/07/47/53/353074753.db2.gz ALDPSQADXYDBAS-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN CCn1ncnc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000638874535 353044465 /nfs/dbraw/zinc/04/44/65/353044465.db2.gz VAKPRFDQDUODLF-STQMWFEESA-N 0 1 248.374 2.356 20 0 BEADMN C[C@H](c1ccccn1)N(C)Cc1ccc(=O)[nH]c1 ZINC000638923776 353084433 /nfs/dbraw/zinc/08/44/33/353084433.db2.gz ZYECAWUUPCTWHG-LLVKDONJSA-N 0 1 243.310 2.375 20 0 BEADMN c1ccc2nc(CN3CCCOCC3)ccc2c1 ZINC000334407862 353089735 /nfs/dbraw/zinc/08/97/35/353089735.db2.gz LCXQBNQGPLAGDR-UHFFFAOYSA-N 0 1 242.322 2.457 20 0 BEADMN COC(C)(C)CNCc1nc2c(s1)CCC2 ZINC000093077236 538108376 /nfs/dbraw/zinc/10/83/76/538108376.db2.gz DLINGFHBQUZKBY-UHFFFAOYSA-N 0 1 240.372 2.146 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@H](C)C2(CCC2)C1 ZINC000334475376 353119501 /nfs/dbraw/zinc/11/95/01/353119501.db2.gz NWBRMPFVDPJPJA-NWDGAFQWSA-N 0 1 248.374 2.388 20 0 BEADMN CCC(O)(CC)CNCc1ncc(Cl)s1 ZINC000225333497 363204730 /nfs/dbraw/zinc/20/47/30/363204730.db2.gz TVNZTISWYOOLDF-UHFFFAOYSA-N 0 1 248.779 2.437 20 0 BEADMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccccn2)C1 ZINC000295208461 188096420 /nfs/dbraw/zinc/09/64/20/188096420.db2.gz LDLIAOSQZHOBPC-CYBMUJFWSA-N 0 1 234.343 2.065 20 0 BEADMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccco2)C1 ZINC000295331540 188096426 /nfs/dbraw/zinc/09/64/26/188096426.db2.gz XORLIDDZFGOTMV-LLVKDONJSA-N 0 1 223.316 2.263 20 0 BEADMN C[C@H](C[C@H](C)O)NCc1nc2ccccc2o1 ZINC000638981879 353196019 /nfs/dbraw/zinc/19/60/19/353196019.db2.gz XZRQMEMIMPMVRW-ZJUUUORDSA-N 0 1 234.299 2.077 20 0 BEADMN CCN(Cc1cn(C)nn1)CC1(C(C)C)CC1 ZINC000638976941 353182408 /nfs/dbraw/zinc/18/24/08/353182408.db2.gz MLIBDEDDNVFPCK-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN CC(C)[C@H](NCc1nnc[nH]1)c1ccccc1 ZINC000037919877 188115330 /nfs/dbraw/zinc/11/53/30/188115330.db2.gz LYYYHOMITHLDQW-ZDUSSCGKSA-N 0 1 230.315 2.292 20 0 BEADMN CC(C)Cc1noc(C2(N)CCCCC2)n1 ZINC000041032791 188118500 /nfs/dbraw/zinc/11/85/00/188118500.db2.gz XPUGWKPTOWXVSJ-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN Cc1ccc(C)c(CN(C)Cc2nnc[nH]2)c1 ZINC000174825273 188164068 /nfs/dbraw/zinc/16/40/68/188164068.db2.gz DBFYMLUWZKLHSO-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CC1(C)C[C@H]1NCc1ccn(C(F)F)n1 ZINC000309161424 188167725 /nfs/dbraw/zinc/16/77/25/188167725.db2.gz ZENXRWBUZZGYOJ-MRVPVSSYSA-N 0 1 215.247 2.166 20 0 BEADMN CC(C)(C)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000265495265 188195076 /nfs/dbraw/zinc/19/50/76/188195076.db2.gz DHHNMSNPFZAEEP-SNVBAGLBSA-N 0 1 221.304 2.060 20 0 BEADMN C=Cn1cc(CNCc2ccc(OC)cc2)cn1 ZINC000194339777 188175123 /nfs/dbraw/zinc/17/51/23/188175123.db2.gz ANSUYYDAVKTELG-UHFFFAOYSA-N 0 1 243.310 2.282 20 0 BEADMN CC(C)Cc1nsc(NC[C@@H]2C[C@H]2C)n1 ZINC000336770719 188176333 /nfs/dbraw/zinc/17/63/33/188176333.db2.gz WWTANMMQYKJKHU-BDAKNGLRSA-N 0 1 225.361 2.226 20 0 BEADMN Cc1cnc(CN(C(C)C)C2CCOCC2)nc1 ZINC000336714788 188182209 /nfs/dbraw/zinc/18/22/09/188182209.db2.gz QMNUPSINHKQFJB-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN CCCC[C@H](C)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000337509707 188186729 /nfs/dbraw/zinc/18/67/29/188186729.db2.gz QROLBNPFSIRCTG-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN C1=C[C@H](N2CCc3n[nH]nc3C2)CCCCC1 ZINC000339118943 188190321 /nfs/dbraw/zinc/19/03/21/188190321.db2.gz NZKZPKINRMXRIO-NSHDSACASA-N 0 1 232.331 2.052 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc(C2CC2)n1 ZINC000294046854 188213118 /nfs/dbraw/zinc/21/31/18/188213118.db2.gz YSEGLBIXGPAXNV-UHFFFAOYSA-N 0 1 247.342 2.238 20 0 BEADMN Cn1cnc2cc(CNCc3ccco3)ccc21 ZINC000341161889 188217441 /nfs/dbraw/zinc/21/74/41/188217441.db2.gz AXGPCUSFWFLLOO-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CC(C)C1(C)CCN(C(=O)c2cnc[nH]2)CC1 ZINC000275306815 188202086 /nfs/dbraw/zinc/20/20/86/188202086.db2.gz XNBZNRGZYUOMPI-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CC(C)(C)[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000280583622 188204723 /nfs/dbraw/zinc/20/47/23/188204723.db2.gz PPFNURMZIOYUMQ-JTQLQIEISA-N 0 1 235.331 2.308 20 0 BEADMN c1cc(NCC[N@@H+]2CC=CCC2)nc(C2CC2)n1 ZINC000280328336 188205233 /nfs/dbraw/zinc/20/52/33/188205233.db2.gz UMIBUZCCUVKSMZ-UHFFFAOYSA-N 0 1 244.342 2.028 20 0 BEADMN c1cc(NCCN2CC=CCC2)nc(C2CC2)n1 ZINC000280328336 188205234 /nfs/dbraw/zinc/20/52/34/188205234.db2.gz UMIBUZCCUVKSMZ-UHFFFAOYSA-N 0 1 244.342 2.028 20 0 BEADMN CC(C)C[C@@H](C)Sc1nc(N)cc(N)n1 ZINC000284310890 188206835 /nfs/dbraw/zinc/20/68/35/188206835.db2.gz YOOIUBFSCGHLLD-SSDOTTSWSA-N 0 1 226.349 2.168 20 0 BEADMN Cc1nn(C)cc1CN1CCCc2occc2C1 ZINC000289249093 188211001 /nfs/dbraw/zinc/21/10/01/188211001.db2.gz AWSNNTMGVAWXAO-UHFFFAOYSA-N 0 1 245.326 2.270 20 0 BEADMN Fc1ccccc1SCc1c[nH]nn1 ZINC000336394766 188229349 /nfs/dbraw/zinc/22/93/49/188229349.db2.gz JXKIQBFLRDGNMX-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)cc(F)c2)n[nH]1 ZINC000608135129 353288866 /nfs/dbraw/zinc/28/88/66/353288866.db2.gz JLYBDEVJZQUXRQ-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN C[C@@H](c1cccnc1)N(C)Cc1ccc(=O)[nH]c1 ZINC000639040078 353321270 /nfs/dbraw/zinc/32/12/70/353321270.db2.gz ALPNDDOTALAGQS-NSHDSACASA-N 0 1 243.310 2.375 20 0 BEADMN CCCn1c(C)nnc1CN(C)[C@@H](C)C(C)C ZINC000343288531 353366825 /nfs/dbraw/zinc/36/68/25/353366825.db2.gz WMGDGZQZFKPTLR-NSHDSACASA-N 0 1 238.379 2.473 20 0 BEADMN COCCC(C)(C)CNCc1ncc(C)o1 ZINC000639061327 353368348 /nfs/dbraw/zinc/36/83/48/353368348.db2.gz LQOWOOQOLBMWFE-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CCN1CCN(c2cc(C(C)C)ncn2)[C@@H](C)C1 ZINC000343293286 353374085 /nfs/dbraw/zinc/37/40/85/353374085.db2.gz VPBFQXXGQRLIJT-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN Cc1cc(CN(CC(C)(C)O)C2CC2)sn1 ZINC000639071873 353388159 /nfs/dbraw/zinc/38/81/59/353388159.db2.gz PWTHIDCVPQBZOE-UHFFFAOYSA-N 0 1 240.372 2.187 20 0 BEADMN O=c1[nH]cnc(OC2CCCCC2)c1Cl ZINC000165659007 353425038 /nfs/dbraw/zinc/42/50/38/353425038.db2.gz QIMDQGVRQMPAHN-UHFFFAOYSA-N 0 1 228.679 2.135 20 0 BEADMN CC1(C)CC(CNCc2csnn2)C1 ZINC000308681853 353452949 /nfs/dbraw/zinc/45/29/49/353452949.db2.gz XUQVTRTXDJSYEL-UHFFFAOYSA-N 0 1 211.334 2.064 20 0 BEADMN CCS[C@H]1CCCC[N@H+]([C@H](CC)C(=O)[O-])C1 ZINC000191418626 353469842 /nfs/dbraw/zinc/46/98/42/353469842.db2.gz VRHLCSVZPOOGEZ-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN COC(=O)c1cc(CNCC=C(C)C)oc1C ZINC000191615237 353499271 /nfs/dbraw/zinc/49/92/71/353499271.db2.gz BRABWMKPXOLZRY-UHFFFAOYSA-N 0 1 237.299 2.430 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)N[C@H](C)c2nnc[nH]2)CC1 ZINC000335561924 535238073 /nfs/dbraw/zinc/23/80/73/535238073.db2.gz SEDSTWDSLBBRDD-MNOVXSKESA-N 0 1 248.330 2.118 20 0 BEADMN CN(Cc1ccc2c(n1)CCC2)[C@@H]1CCCOC1 ZINC000334513789 353571476 /nfs/dbraw/zinc/57/14/76/353571476.db2.gz UDMZHWPJWJAPHX-CQSZACIVSA-N 0 1 246.354 2.181 20 0 BEADMN Cn1cncc1CN1CC(C2CCCC2)C1 ZINC000334517231 353624348 /nfs/dbraw/zinc/62/43/48/353624348.db2.gz BVXFEDIROADTNQ-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN C[C@H]1CCN(Cc2ccns2)CCS1 ZINC000639106351 353619777 /nfs/dbraw/zinc/61/97/77/353619777.db2.gz VCAHZYSNYICACH-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN CCC(CC)CN1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000353804536 353661335 /nfs/dbraw/zinc/66/13/35/353661335.db2.gz MYIWFHSGRNJZAP-ZETOZRRWSA-N 0 1 231.405 2.264 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000334518464 353654578 /nfs/dbraw/zinc/65/45/78/353654578.db2.gz HFYPVRSACYEKKT-CQSZACIVSA-N 0 1 246.354 2.181 20 0 BEADMN C[C@@H](O)CCCNCc1nc2ccccc2o1 ZINC000639111918 353702995 /nfs/dbraw/zinc/70/29/95/353702995.db2.gz DNNXTWJJVQICFY-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN Fc1cccc(F)c1CN[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000153048925 181000589 /nfs/dbraw/zinc/00/05/89/181000589.db2.gz URMDGVBLIUASME-JCOFBHIZSA-N 0 1 239.265 2.374 20 0 BEADMN CCc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000178306033 366113550 /nfs/dbraw/zinc/11/35/50/366113550.db2.gz HDEDEBLKSYCSJD-GHMZBOCLSA-N 0 1 247.342 2.234 20 0 BEADMN CC(C)C(CN[C@H](C)c1ncn(C)n1)C(C)C ZINC000391934000 353806847 /nfs/dbraw/zinc/80/68/47/353806847.db2.gz JAUSZNBHKUUCMK-LLVKDONJSA-N 0 1 238.379 2.394 20 0 BEADMN C[N@@H+](CC1(CC(=O)[O-])CC1)C1CCCC1 ZINC000083854670 353795726 /nfs/dbraw/zinc/79/57/26/353795726.db2.gz MFBYUHSIANDITC-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CCN(CC(=O)N1CCCCC[C@@H]1C)C1CC1 ZINC000343389395 353875456 /nfs/dbraw/zinc/87/54/56/353875456.db2.gz BKRQPKJIRCBAKZ-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000343503783 353915795 /nfs/dbraw/zinc/91/57/95/353915795.db2.gz HEBOTLOLAVDYHT-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000343503786 353915874 /nfs/dbraw/zinc/91/58/74/353915874.db2.gz HEBOTLOLAVDYHT-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000343537277 353916614 /nfs/dbraw/zinc/91/66/14/353916614.db2.gz LSRWBBCWOBBIFG-LLVKDONJSA-N 0 1 241.281 2.228 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cnccn1 ZINC000334543061 353978125 /nfs/dbraw/zinc/97/81/25/353978125.db2.gz MJTPLJIJVWUTJE-LBPRGKRZSA-N 0 1 205.305 2.097 20 0 BEADMN CC(C)=CCN(CCO)Cc1ccc(C)o1 ZINC000343721122 353958550 /nfs/dbraw/zinc/95/85/50/353958550.db2.gz CEGIFEWVGPSBCP-UHFFFAOYSA-N 0 1 223.316 2.349 20 0 BEADMN CN(CC1CCC1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343682902 353962945 /nfs/dbraw/zinc/96/29/45/353962945.db2.gz ZVOYVBSBFKRGFQ-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CC(C)=CCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000343818593 354013960 /nfs/dbraw/zinc/01/39/60/354013960.db2.gz NNJVRNNNCRRHCR-NSHDSACASA-N 0 1 226.364 2.188 20 0 BEADMN CC(C)=CCN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000343818592 354014049 /nfs/dbraw/zinc/01/40/49/354014049.db2.gz NNJVRNNNCRRHCR-LLVKDONJSA-N 0 1 226.364 2.188 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@H](C3CC3)C2)n1 ZINC000343965640 354075251 /nfs/dbraw/zinc/07/52/51/354075251.db2.gz XBCLJGNPAGUCGV-KOLCDFICSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](C3CC3)C2)o1 ZINC000344024939 354086722 /nfs/dbraw/zinc/08/67/22/354086722.db2.gz XCJMCNQWWYCHNG-MWLCHTKSSA-N 0 1 235.331 2.425 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2cc(C)on2)C1(C)C ZINC000344070460 354131762 /nfs/dbraw/zinc/13/17/62/354131762.db2.gz SMAHGVFTQVOKQC-ZMLRMANQSA-N 0 1 238.331 2.132 20 0 BEADMN C=Cn1cc(CN2CCC23CCC3)cn1 ZINC000334570542 354098488 /nfs/dbraw/zinc/09/84/88/354098488.db2.gz JMIVIFCMXSCZEW-UHFFFAOYSA-N 0 1 203.289 2.112 20 0 BEADMN Cc1nnc(CN2CCCCC(C)(C)C2)o1 ZINC000334574525 354104936 /nfs/dbraw/zinc/10/49/36/354104936.db2.gz JTJJGPVHUVOTMC-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000334560585 354112738 /nfs/dbraw/zinc/11/27/38/354112738.db2.gz DAYLNIVPFGFHLD-CMPLNLGQSA-N 0 1 243.310 2.337 20 0 BEADMN Cc1nc([C@H](C)N2CCc3sccc3C2)n[nH]1 ZINC000334560701 354113274 /nfs/dbraw/zinc/11/32/74/354113274.db2.gz PPTKHFZLGKZLOD-QMMMGPOBSA-N 0 1 248.355 2.294 20 0 BEADMN C[C@@]1(F)CCN(CCc2cncs2)C1 ZINC000334561717 354116666 /nfs/dbraw/zinc/11/66/66/354116666.db2.gz VGIQVCIAJXAEOP-SNVBAGLBSA-N 0 1 214.309 2.120 20 0 BEADMN O[C@H]([C@@H]1CCN(Cc2ccco2)C1)C(F)(F)F ZINC000449668971 202000493 /nfs/dbraw/zinc/00/04/93/202000493.db2.gz HKWQMEWRZYELAZ-PSASIEDQSA-N 0 1 249.232 2.025 20 0 BEADMN CN(CCc1ccccc1O)Cc1ccccn1 ZINC000344148150 354154358 /nfs/dbraw/zinc/15/43/58/354154358.db2.gz IFTXVJHPXQAQDK-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN Cc1nc([C@H](C)Sc2ccccn2)n[nH]1 ZINC000334585682 354209137 /nfs/dbraw/zinc/20/91/37/354209137.db2.gz JBIHPKKYRRVIML-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC(C)C)[C@H](C)C1 ZINC000344414138 354251889 /nfs/dbraw/zinc/25/18/89/354251889.db2.gz DAMVGLKBPVCCOJ-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344451165 354261547 /nfs/dbraw/zinc/26/15/47/354261547.db2.gz MJAVATRVBRMEDP-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN c1snnc1CNCC[C@H]1CC=CCC1 ZINC000529667051 324373720 /nfs/dbraw/zinc/37/37/20/324373720.db2.gz TVCVGDQLPVKOBM-JTQLQIEISA-N 0 1 223.345 2.374 20 0 BEADMN CCn1cncc1CN1CCS[C@@H](C)[C@@H]1C ZINC000334611861 354294944 /nfs/dbraw/zinc/29/49/44/354294944.db2.gz UMIBRJZLGFQNAN-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN COc1ccc(CN2CC(C)=C[C@H](C)C2)nc1 ZINC000334613864 354298786 /nfs/dbraw/zinc/29/87/86/354298786.db2.gz YRBDUABQSSNHDG-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)n[nH]1 ZINC000344581025 354310167 /nfs/dbraw/zinc/31/01/67/354310167.db2.gz TUWFSTGVWKZVCL-LLVKDONJSA-N 0 1 247.342 2.400 20 0 BEADMN OCC[C@H](NCc1ccco1)c1ccccc1 ZINC000344440233 354273510 /nfs/dbraw/zinc/27/35/10/354273510.db2.gz MIMKOUNCPKISEB-AWEZNQCLSA-N 0 1 231.295 2.493 20 0 BEADMN CCn1cncc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000334601444 354279942 /nfs/dbraw/zinc/27/99/42/354279942.db2.gz WYSZVRBOFFEXIF-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)n(C)n1 ZINC000334608971 354316095 /nfs/dbraw/zinc/31/60/95/354316095.db2.gz FAUHQPRHIMMITJ-MNOVXSKESA-N 0 1 239.388 2.054 20 0 BEADMN CCn1cncc1C[N@H+]1CCSC(C)(C)C1 ZINC000334608852 354316449 /nfs/dbraw/zinc/31/64/49/354316449.db2.gz COANEEDDCFURDW-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN CCn1cncc1CN1CCSC(C)(C)C1 ZINC000334608852 354316453 /nfs/dbraw/zinc/31/64/53/354316453.db2.gz COANEEDDCFURDW-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN Cn1cc([C@H](NCc2c[nH]cn2)C(C)(C)C)cn1 ZINC000344802782 354378157 /nfs/dbraw/zinc/37/81/57/354378157.db2.gz DZTWEJXMQGEUGF-LBPRGKRZSA-N 0 1 247.346 2.020 20 0 BEADMN CC[C@H](C)CN(C)[C@H](C)c1nc(C)no1 ZINC000578033368 366197988 /nfs/dbraw/zinc/19/79/88/366197988.db2.gz PWAYOEMTIGFZBV-DTWKUNHWSA-N 0 1 211.309 2.417 20 0 BEADMN CC[C@H](C)CN(C)[C@@H](C)c1nc(C)no1 ZINC000578033369 366198649 /nfs/dbraw/zinc/19/86/49/366198649.db2.gz PWAYOEMTIGFZBV-IUCAKERBSA-N 0 1 211.309 2.417 20 0 BEADMN CC1(C)CN(Cc2cnccn2)[C@H]1C1CC1 ZINC000334645781 354435019 /nfs/dbraw/zinc/43/50/19/354435019.db2.gz KMOPOSOZGZVNQC-LBPRGKRZSA-N 0 1 217.316 2.097 20 0 BEADMN FC[C@H]1CN(Cc2ccc(F)cc2)CCCO1 ZINC000334645766 354435196 /nfs/dbraw/zinc/43/51/96/354435196.db2.gz KGTWDNOCYUTNOP-ZDUSSCGKSA-N 0 1 241.281 2.386 20 0 BEADMN OCc1ccc(CN2CC3(C2)CCCC3)o1 ZINC000334643686 354400742 /nfs/dbraw/zinc/40/07/42/354400742.db2.gz GYZQCSOXWCOXAP-UHFFFAOYSA-N 0 1 221.300 2.148 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1C(C)(C)C1(C)C ZINC000578023700 366189108 /nfs/dbraw/zinc/18/91/08/366189108.db2.gz AQSXOUVYVBAHEV-VIFPVBQESA-N 0 1 249.358 2.139 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000334677748 354422019 /nfs/dbraw/zinc/42/20/19/354422019.db2.gz HYQCVWIOIPPGBQ-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1nocc1CN1CCSC[C@@H]1C1CC1 ZINC000334679297 354424000 /nfs/dbraw/zinc/42/40/00/354424000.db2.gz NXBDOLJPOKTIJR-GFCCVEGCSA-N 0 1 238.356 2.310 20 0 BEADMN c1nnsc1CN1CCC[C@@H](C2CC2)C1 ZINC000334654813 354448729 /nfs/dbraw/zinc/44/87/29/354448729.db2.gz QJLGHLMLVIUJJW-SNVBAGLBSA-N 0 1 223.345 2.160 20 0 BEADMN CC(C)[C@@H]1CN(CC2CCC(=O)CC2)CCO1 ZINC000334656817 354451428 /nfs/dbraw/zinc/45/14/28/354451428.db2.gz QSJMVCBXNYSXFV-AWEZNQCLSA-N 0 1 239.359 2.103 20 0 BEADMN CC1(C)COC[C@@H]1NCc1ccc(Cl)cn1 ZINC000334665124 354467002 /nfs/dbraw/zinc/46/70/02/354467002.db2.gz IBOGTKSRJZCGLR-NSHDSACASA-N 0 1 240.734 2.250 20 0 BEADMN Cc1nc(CN[C@@H]2COCC2(C)C)c(C)s1 ZINC000334666124 354468350 /nfs/dbraw/zinc/46/83/50/354468350.db2.gz OFLBKPGPOLIPEB-LLVKDONJSA-N 0 1 240.372 2.275 20 0 BEADMN Cc1ccc(CN2CC[C@H](n3cccn3)C2)cn1 ZINC000334748258 354473344 /nfs/dbraw/zinc/47/33/44/354473344.db2.gz OICZZOHWOOPVGM-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCCCC1 ZINC000179101908 366205368 /nfs/dbraw/zinc/20/53/68/366205368.db2.gz QIQBDQONQBFFDA-UHFFFAOYSA-N 0 1 235.331 2.468 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@@H](C(C)C)C2)o1 ZINC000334707588 354502057 /nfs/dbraw/zinc/50/20/57/354502057.db2.gz FXJOFTHQEIHQJP-MWLCHTKSSA-N 0 1 223.320 2.417 20 0 BEADMN CCN(C)C(=O)CN1CCc2ccccc2[C@@H]1C ZINC000334722948 354523016 /nfs/dbraw/zinc/52/30/16/354523016.db2.gz VXMCXFDKBOIDAD-LBPRGKRZSA-N 0 1 246.354 2.084 20 0 BEADMN CCN(Cc1cc(C)ns1)[C@H]1CCOC1 ZINC000639199513 354602865 /nfs/dbraw/zinc/60/28/65/354602865.db2.gz YDOFNWINKHHAPO-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1cnccc1CN1CCOC(C)(C)[C@@H]1C ZINC000334759056 354581096 /nfs/dbraw/zinc/58/10/96/354581096.db2.gz YXSWYFONBFMPNH-LBPRGKRZSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)c2ccn[nH]2)C1 ZINC000334762556 354583074 /nfs/dbraw/zinc/58/30/74/354583074.db2.gz XAMIEWARYVWBIQ-VHSXEESVSA-N 0 1 221.304 2.060 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C2(C)CCC2)CC1 ZINC000334765588 354587163 /nfs/dbraw/zinc/58/71/63/354587163.db2.gz IDIMJUUKGPRHLM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](CNCc1nc2ccccc2o1)OC ZINC000639195113 354595022 /nfs/dbraw/zinc/59/50/22/354595022.db2.gz REWYSHCVURJGIE-JTQLQIEISA-N 0 1 234.299 2.342 20 0 BEADMN Cc1cc(CN2CC(C3CC3)C2)sn1 ZINC000639197917 354599269 /nfs/dbraw/zinc/59/92/69/354599269.db2.gz YYFQUVHCHZMSPM-UHFFFAOYSA-N 0 1 208.330 2.293 20 0 BEADMN CCc1cccc(N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC000335089919 354625243 /nfs/dbraw/zinc/62/52/43/354625243.db2.gz DZNYAPSPGCVNIP-AWEZNQCLSA-N 0 1 246.354 2.306 20 0 BEADMN CCc1cccc(N(C)C(=O)[C@H]2CCCN2C)c1 ZINC000335089920 354625251 /nfs/dbraw/zinc/62/52/51/354625251.db2.gz DZNYAPSPGCVNIP-CQSZACIVSA-N 0 1 246.354 2.306 20 0 BEADMN CCc1cc(C(=O)N2CC(C(C)(C)C)C2)n[nH]1 ZINC000335096835 354636697 /nfs/dbraw/zinc/63/66/97/354636697.db2.gz WKQMFVIZQMGYAI-UHFFFAOYSA-N 0 1 235.331 2.090 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000335080225 354642394 /nfs/dbraw/zinc/64/23/94/354642394.db2.gz VYUDWINEPWHONJ-QMMMGPOBSA-N 0 1 247.273 2.184 20 0 BEADMN CC(C)(C(=O)NCc1ccccc1)c1cnc[nH]1 ZINC000345631648 354718788 /nfs/dbraw/zinc/71/87/88/354718788.db2.gz DKJPKTTYXLQPAZ-UHFFFAOYSA-N 0 1 243.310 2.004 20 0 BEADMN CCCCN(CC)C(=O)C(C)(C)c1c[nH]cn1 ZINC000345639199 354721659 /nfs/dbraw/zinc/72/16/59/354721659.db2.gz MYBDYYFPPBMSNE-UHFFFAOYSA-N 0 1 237.347 2.336 20 0 BEADMN COC[C@H]1CCN1Cc1cc2ccccc2n1C ZINC000639206441 354679562 /nfs/dbraw/zinc/67/95/62/354679562.db2.gz JANOOGRBYCDFFA-CYBMUJFWSA-N 0 1 244.338 2.399 20 0 BEADMN CC[C@H]1CO[C@H](C)C[N@H+]1CCC(C)(C)OC ZINC000345790387 354768895 /nfs/dbraw/zinc/76/88/95/354768895.db2.gz PNKVXUNSUJNYJG-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000335126456 354770226 /nfs/dbraw/zinc/77/02/26/354770226.db2.gz AVFDAYGOZPARDE-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000335126454 354770397 /nfs/dbraw/zinc/77/03/97/354770397.db2.gz AVFDAYGOZPARDE-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC2CC2)C[C@@H]1C ZINC000345961699 354821604 /nfs/dbraw/zinc/82/16/04/354821604.db2.gz OYPJGOUNAKOODC-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000345971601 354824273 /nfs/dbraw/zinc/82/42/73/354824273.db2.gz WCBCEBKUSJANDC-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](NCC1(COC)CCC1)C(F)F ZINC000639214605 354824497 /nfs/dbraw/zinc/82/44/97/354824497.db2.gz QGRPFDDCYYLWKB-VIFPVBQESA-N 0 1 221.291 2.436 20 0 BEADMN CC[C@H](N[C@@H](C)C[C@H]1CCCC(=O)N1)C(F)F ZINC000639214428 354793261 /nfs/dbraw/zinc/79/32/61/354793261.db2.gz PNLRGKYXUAZEIL-AEJSXWLSSA-N 0 1 248.317 2.067 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CCNC(=O)[C@@H]2C)C1 ZINC000346227899 354874764 /nfs/dbraw/zinc/87/47/64/354874764.db2.gz YOKZRRMVBLPHEH-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cnc(CN2CC[C@@H](COC)C2)s1 ZINC000346189890 354876305 /nfs/dbraw/zinc/87/63/05/354876305.db2.gz AFWOFQIEHROAHU-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN c1ccc2oc(CNCC3=CCOCC3)nc2c1 ZINC000639219330 354876713 /nfs/dbraw/zinc/87/67/13/354876713.db2.gz MIKHMKYXSXWEOR-UHFFFAOYSA-N 0 1 244.294 2.264 20 0 BEADMN CC(C)n1cncc1CN1CCCO[C@H](C)C1 ZINC000335146548 354857805 /nfs/dbraw/zinc/85/78/05/354857805.db2.gz KNMBBLAWSIRMQZ-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1cnc(CNC[C@H]2CC[C@@H](C)O2)s1 ZINC000235315737 363441081 /nfs/dbraw/zinc/44/10/81/363441081.db2.gz WFVYTSGNBLIJON-PSASIEDQSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1cnc(CNC[C@@H]2CC[C@@H](C)O2)s1 ZINC000235314525 363441273 /nfs/dbraw/zinc/44/12/73/363441273.db2.gz WFVYTSGNBLIJON-SCZZXKLOSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@H](C)N(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623199985 354906594 /nfs/dbraw/zinc/90/65/94/354906594.db2.gz ZXXDKAKWKOJPOA-JFGNBEQYSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1cc(CN2CC[C@@H]2C2CC2)sn1 ZINC000639222955 354922759 /nfs/dbraw/zinc/92/27/59/354922759.db2.gz POUMDGKQZSKSIP-LLVKDONJSA-N 0 1 208.330 2.436 20 0 BEADMN Cn1nc2c(c1CN1CC[C@@H]1C1CC1)CCCC2 ZINC000639222952 354922990 /nfs/dbraw/zinc/92/29/90/354922990.db2.gz PNRPSYAXPLVQRF-CQSZACIVSA-N 0 1 245.370 2.283 20 0 BEADMN FC(F)COCCN1CCC(C(F)F)CC1 ZINC000346431933 354931358 /nfs/dbraw/zinc/93/13/58/354931358.db2.gz JKGAAWRVRQGGQG-UHFFFAOYSA-N 0 1 243.244 2.245 20 0 BEADMN Cc1csc(CN2CCC[C@H](CO)[C@@H]2C)n1 ZINC000335178620 354964946 /nfs/dbraw/zinc/96/49/46/354964946.db2.gz MUMOREBPWSPKGL-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)[C@@H]1C ZINC000346526150 354976789 /nfs/dbraw/zinc/97/67/89/354976789.db2.gz PJCXNJMKYWTOLD-NDBYEHHHSA-N 0 1 238.375 2.022 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000449752168 202022152 /nfs/dbraw/zinc/02/21/52/202022152.db2.gz BJBJBBHVMCXLJJ-GHMZBOCLSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1ccc(CCNCc2nccs2)nc1 ZINC000651601329 491071484 /nfs/dbraw/zinc/07/14/84/491071484.db2.gz OJGFKQXVFNSEAK-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CO[C@@H](CNCc1ccn(C(F)F)n1)C(C)C ZINC000346676929 355010113 /nfs/dbraw/zinc/01/01/13/355010113.db2.gz ZINMHMGDPWMKQK-JTQLQIEISA-N 0 1 247.289 2.039 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000335189533 355021268 /nfs/dbraw/zinc/02/12/68/355021268.db2.gz KWEDWTMCOZJMAY-TZMCWYRMSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc(CN2CCCc3ccccc3C2)n[nH]1 ZINC000335212105 355049620 /nfs/dbraw/zinc/04/96/20/355049620.db2.gz RHVZMXIMXXKXII-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN Cc1cnc(C[N@H+]2CCS[C@@H](C)CC2)cn1 ZINC000335218395 355056971 /nfs/dbraw/zinc/05/69/71/355056971.db2.gz MHOISGNTUWREDI-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN Cc1cnc(CN2CCS[C@@H](C)CC2)cn1 ZINC000335218395 355056975 /nfs/dbraw/zinc/05/69/75/355056975.db2.gz MHOISGNTUWREDI-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H](C)C1 ZINC000335978926 134032802 /nfs/dbraw/zinc/03/28/02/134032802.db2.gz FRRMQAIMCWEIHK-VIFPVBQESA-N 0 1 235.331 2.324 20 0 BEADMN CCn1ccnc1NC(=O)c1c[nH]nc1C(C)C ZINC000412867731 191322524 /nfs/dbraw/zinc/32/25/24/191322524.db2.gz YMTUZNGEHKMPOC-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1ncccn1 ZINC000335188230 355087815 /nfs/dbraw/zinc/08/78/15/355087815.db2.gz FZVZYFSUBGVZPO-SNVBAGLBSA-N 0 1 205.305 2.097 20 0 BEADMN CCC1(CC)CN(CC[C@H](C)F)CC[S@@]1=O ZINC000351997385 134033195 /nfs/dbraw/zinc/03/31/95/134033195.db2.gz XWDWGSCTSRYGJJ-ZBEGNZNMSA-N 0 1 249.395 2.358 20 0 BEADMN CCOC(=O)CN(CCCCF)C1CCC1 ZINC000351997014 134033418 /nfs/dbraw/zinc/03/34/18/134033418.db2.gz WHAWQVUOIBDNBT-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000346954744 355167466 /nfs/dbraw/zinc/16/74/66/355167466.db2.gz YNWOQVMYRGTTLH-BZPMIXESSA-N 0 1 248.374 2.388 20 0 BEADMN C[C@@H](c1nncn1C)N(C)CC1CCCCC1 ZINC000346854733 355139763 /nfs/dbraw/zinc/13/97/63/355139763.db2.gz XOXONWLQGINLIU-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC000346888468 355145530 /nfs/dbraw/zinc/14/55/30/355145530.db2.gz AWGWDZOVAKEIHV-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cncc(F)c1 ZINC000346975183 355209966 /nfs/dbraw/zinc/20/99/66/355209966.db2.gz VJURCCZKDHVITP-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](c1nncn1C)N(C)C[C@@H]1CC=CCC1 ZINC000346934779 355182890 /nfs/dbraw/zinc/18/28/90/355182890.db2.gz CLXPAKKQARCFFQ-VXGBXAGGSA-N 0 1 234.347 2.164 20 0 BEADMN Cc1cccc(CN(C)CCOC2CCC2)n1 ZINC000346987963 355187790 /nfs/dbraw/zinc/18/77/90/355187790.db2.gz QVROWYQJOLANSU-UHFFFAOYSA-N 0 1 234.343 2.391 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623213753 355221692 /nfs/dbraw/zinc/22/16/92/355221692.db2.gz CLGVOLMIYDPPAF-DNRKLUKYSA-N 0 1 247.342 2.085 20 0 BEADMN COc1cccnc1CN[C@H]1CS[C@@H](C)C1 ZINC000639239789 355223412 /nfs/dbraw/zinc/22/34/12/355223412.db2.gz FHJHQLLDPYOQRS-VHSXEESVSA-N 0 1 238.356 2.074 20 0 BEADMN CCOC(=O)CN(C)C1CCC(F)(F)CC1 ZINC000347591211 355249375 /nfs/dbraw/zinc/24/93/75/355249375.db2.gz ZIAOBQJODIOIKM-UHFFFAOYSA-N 0 1 235.274 2.059 20 0 BEADMN CC(C)n1cc(CN(C)C2CCCC2)nn1 ZINC000347633139 355242069 /nfs/dbraw/zinc/24/20/69/355242069.db2.gz CUNAEDCZZWZLIG-UHFFFAOYSA-N 0 1 222.336 2.233 20 0 BEADMN CC[C@H](CN1CCn2cccc2[C@H]1C)OC ZINC000412980162 191350706 /nfs/dbraw/zinc/35/07/06/191350706.db2.gz WPAXNXXSMJOQLO-VXGBXAGGSA-N 0 1 222.332 2.290 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347587070 355247446 /nfs/dbraw/zinc/24/74/46/355247446.db2.gz MFXMMCFSUMEHEV-LLVKDONJSA-N 0 1 224.352 2.335 20 0 BEADMN CCc1ccc(CN(C)C[C@H]2CCCO2)cn1 ZINC000347678975 355264906 /nfs/dbraw/zinc/26/49/06/355264906.db2.gz TZFSAMODHJHIFT-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2CCCC2)[C@@H]1C(=O)[O-] ZINC000235649323 363450164 /nfs/dbraw/zinc/45/01/64/363450164.db2.gz YGMRWGRTMRUBAP-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(C)c1nc(CNc2ccc(F)cn2)n[nH]1 ZINC000413402221 191376312 /nfs/dbraw/zinc/37/63/12/191376312.db2.gz BKVNBWXUPVIEGZ-UHFFFAOYSA-N 0 1 249.293 2.248 20 0 BEADMN CC(C)(C)c1nc(CNc2ccccn2)n[nH]1 ZINC000413419650 191381645 /nfs/dbraw/zinc/38/16/45/191381645.db2.gz NNJJZEYVFBWBAY-UHFFFAOYSA-N 0 1 231.303 2.109 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000639255090 355297446 /nfs/dbraw/zinc/29/74/46/355297446.db2.gz BACYRHUSWLTQCO-PHIMTYICSA-N 0 1 236.315 2.209 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000639258141 355305185 /nfs/dbraw/zinc/30/51/85/355305185.db2.gz ABQMHCNDVBHTRX-FRRDWIJNSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1ncc([C@@H](C)N2C[C@@H]3C[C@H]2CS3)c(C)n1 ZINC000639258391 355305805 /nfs/dbraw/zinc/30/58/05/355305805.db2.gz IEJJGISUTJBNRF-USWWRNFRSA-N 0 1 249.383 2.344 20 0 BEADMN CC(C)C1(CN2CCO[C@@H](CF)C2)CC1 ZINC000639262605 355316804 /nfs/dbraw/zinc/31/68/04/355316804.db2.gz ZPMROOMQHOMYMY-NSHDSACASA-N 0 1 215.312 2.093 20 0 BEADMN FC(F)OC1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639265738 355326004 /nfs/dbraw/zinc/32/60/04/355326004.db2.gz JXBZUNXEQZQQNH-BBBLOLIVSA-N 0 1 231.286 2.346 20 0 BEADMN CC(C)n1cc(CNC2(CF)CCC2)cn1 ZINC000583499678 355333294 /nfs/dbraw/zinc/33/32/94/355333294.db2.gz TZVZFFPRSKUTIH-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN CCC[C@H](CN1CC[N@H+](CC)C[C@H]1CC)OC ZINC000639251141 355283499 /nfs/dbraw/zinc/28/34/99/355283499.db2.gz XYSUYRQEPQUAKE-ZIAGYGMSSA-N 0 1 242.407 2.218 20 0 BEADMN CCc1ncc(CNC[C@H](OC)[C@H](C)CC)o1 ZINC000639251896 355287247 /nfs/dbraw/zinc/28/72/47/355287247.db2.gz LNOAEYYUSBRQIR-PWSUYJOCSA-N 0 1 240.347 2.388 20 0 BEADMN C[C@H](NC1Cc2ccccc2C1)c1ccon1 ZINC000349235228 355373068 /nfs/dbraw/zinc/37/30/68/355373068.db2.gz BLCGUFHUBFGOLM-JTQLQIEISA-N 0 1 228.295 2.493 20 0 BEADMN CO[C@@H](C)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000349236472 355373216 /nfs/dbraw/zinc/37/32/16/355373216.db2.gz HKROXUXDZXIUSF-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CO[C@H](C)CN1CCO[C@H](C2CCCCC2)C1 ZINC000349236474 355373376 /nfs/dbraw/zinc/37/33/76/355373376.db2.gz HKROXUXDZXIUSF-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1ncc(CNCc2cccc(F)c2)cn1 ZINC000414272115 191478822 /nfs/dbraw/zinc/47/88/22/191478822.db2.gz RGKWHYNNVSACKZ-UHFFFAOYSA-N 0 1 245.301 2.468 20 0 BEADMN c1[nH]nc2c1C[N@@H+](C1CCCCCC1)CC2 ZINC000623238695 355383208 /nfs/dbraw/zinc/38/32/08/355383208.db2.gz QGUSGHAQVNUXJW-UHFFFAOYSA-N 0 1 219.332 2.491 20 0 BEADMN c1[nH]nc2c1C[N@@H+](C1CCCCC1)CC2 ZINC000623238633 355383218 /nfs/dbraw/zinc/38/32/18/355383218.db2.gz ODMTXOSYRNZAAL-UHFFFAOYSA-N 0 1 205.305 2.101 20 0 BEADMN CC[C@@H](NC[C@@H]1CCCCO1)c1ccn(C)n1 ZINC000349460279 355385354 /nfs/dbraw/zinc/38/53/54/355385354.db2.gz PVSWITPVBPZOKD-NWDGAFQWSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccccc1F ZINC000583505228 355338459 /nfs/dbraw/zinc/33/84/59/355338459.db2.gz XGMZMEZARHIDHG-CABZTGNLSA-N 0 1 237.274 2.436 20 0 BEADMN Cc1cc(CNCc2ccns2)cc(C)n1 ZINC000639270475 355338810 /nfs/dbraw/zinc/33/88/10/355338810.db2.gz CNINUBLYPUBEOY-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000583508470 355346191 /nfs/dbraw/zinc/34/61/91/355346191.db2.gz LGMJBJLMNZISCE-TUAOUCFPSA-N 0 1 249.358 2.093 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000583508471 355346206 /nfs/dbraw/zinc/34/62/06/355346206.db2.gz LGMJBJLMNZISCE-UTUOFQBUSA-N 0 1 249.358 2.093 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000033468492 355355079 /nfs/dbraw/zinc/35/50/79/355355079.db2.gz SJWAXHAPURHTNK-UHFFFAOYSA-N 0 1 239.290 2.368 20 0 BEADMN CC(C)n1ncnc1CN1[C@H](C)CC[C@H]1C ZINC000335779421 355406933 /nfs/dbraw/zinc/40/69/33/355406933.db2.gz SGTBFSDJLUSDFG-GHMZBOCLSA-N 0 1 222.336 2.232 20 0 BEADMN CC(C)[C@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000335783775 355432049 /nfs/dbraw/zinc/43/20/49/355432049.db2.gz PLXJDAFAKUQJBC-CHWSQXEVSA-N 0 1 241.375 2.301 20 0 BEADMN Cc1ccc(C)c(CN(C)C(=O)c2ccn[nH]2)c1 ZINC000335784706 355433925 /nfs/dbraw/zinc/43/39/25/355433925.db2.gz GQYJIGVMOAEPNX-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CN(Cc1nnc2n1CCCC2)C1(C)CCCC1 ZINC000335785809 355435466 /nfs/dbraw/zinc/43/54/66/355435466.db2.gz KQYXDOMUMVDLDF-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H]2CCC[C@H]21 ZINC000335786845 355436911 /nfs/dbraw/zinc/43/69/11/355436911.db2.gz AIESQBMBSKEQKG-VXGBXAGGSA-N 0 1 234.347 2.233 20 0 BEADMN c1ccc([C@H]2C[C@H]2CN2CCOCC2)cc1 ZINC000335814864 355503768 /nfs/dbraw/zinc/50/37/68/355503768.db2.gz RTLUJBOZFHHLEW-UONOGXRCSA-N 0 1 217.312 2.122 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)[C@H]1CCCN1C ZINC000335805263 355475654 /nfs/dbraw/zinc/47/56/54/355475654.db2.gz CHARKZAGJIUNRB-CHWSQXEVSA-N 0 1 238.375 2.262 20 0 BEADMN CC1=C[C@H](C)CN(Cc2cn3cccnc3n2)C1 ZINC000335859436 355604970 /nfs/dbraw/zinc/60/49/70/355604970.db2.gz KXDZKDZLYUTYMC-NSHDSACASA-N 0 1 242.326 2.127 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352029472 134045155 /nfs/dbraw/zinc/04/51/55/134045155.db2.gz ROKAYRATCBHCCO-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CC1=CCCN(Cc2cnc3ccccn23)C1 ZINC000335873282 355640312 /nfs/dbraw/zinc/64/03/12/355640312.db2.gz BLWFRUWKBPASSL-UHFFFAOYSA-N 0 1 227.311 2.486 20 0 BEADMN C[C@H](NC1CCC2(CC2)CC1)c1ncn(C)n1 ZINC000335875728 355644917 /nfs/dbraw/zinc/64/49/17/355644917.db2.gz RTYAJKXNPOCTKT-JTQLQIEISA-N 0 1 234.347 2.189 20 0 BEADMN CN(C)CC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416293216 191731830 /nfs/dbraw/zinc/73/18/30/191731830.db2.gz QLKIFHDFIHOEQN-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000335878830 355650346 /nfs/dbraw/zinc/65/03/46/355650346.db2.gz RXCHZAROFAGIHB-UHFFFAOYSA-N 0 1 221.235 2.441 20 0 BEADMN CC(C)C1(CN(C)Cc2c[nH]cn2)CC1 ZINC000639303076 355652071 /nfs/dbraw/zinc/65/20/71/355652071.db2.gz LZQZTGNEAZFGGY-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CCc1ccc(C)nc1N[C@H]1CCCNC(=O)C1 ZINC000639307246 355662436 /nfs/dbraw/zinc/66/24/36/355662436.db2.gz RZPWXCFTPSFRSU-LBPRGKRZSA-N 0 1 247.342 2.033 20 0 BEADMN Cc1nc(CN2C[C@H](C)c3ccccc32)n[nH]1 ZINC000335864433 355628504 /nfs/dbraw/zinc/62/85/04/355628504.db2.gz OCSIBSMSKMRZBX-VIFPVBQESA-N 0 1 228.299 2.237 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C3CC3)C2)nc1 ZINC000335867746 355632673 /nfs/dbraw/zinc/63/26/73/355632673.db2.gz DVBKJQBTZUSJGC-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1cnc(CNCCC(C)(C)F)o1 ZINC000639315388 355707159 /nfs/dbraw/zinc/70/71/59/355707159.db2.gz CPFLXHNAPRCCHM-UHFFFAOYSA-N 0 1 200.257 2.211 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC000335890132 355682180 /nfs/dbraw/zinc/68/21/80/355682180.db2.gz NXBRARDTTGAEDU-ZYHUDNBSSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000335890281 355682320 /nfs/dbraw/zinc/68/23/20/355682320.db2.gz WFWSLLNYPDNXBG-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)c2)[C@@H](C(N)=O)C1 ZINC000335893412 355687445 /nfs/dbraw/zinc/68/74/45/355687445.db2.gz NCPRMJZLLIVSOD-ZYHUDNBSSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccn1C)[C@@H]1CC1(F)F ZINC000639326129 355725926 /nfs/dbraw/zinc/72/59/26/355725926.db2.gz FJMGKCNBYSREBC-VGMNWLOBSA-N 0 1 229.274 2.114 20 0 BEADMN COc1cc(CN[C@H]2CC[C@@H](C)SC2)on1 ZINC000639326797 355732283 /nfs/dbraw/zinc/73/22/83/355732283.db2.gz UTONNMCXOCLFMN-BDAKNGLRSA-N 0 1 242.344 2.057 20 0 BEADMN COc1cc(CN[C@H]2CC[C@H](C)SC2)on1 ZINC000639326799 355732368 /nfs/dbraw/zinc/73/23/68/355732368.db2.gz UTONNMCXOCLFMN-IUCAKERBSA-N 0 1 242.344 2.057 20 0 BEADMN CCOC[C@H]1CCCN(Cc2cnc(C)nc2)C1 ZINC000352064453 134054819 /nfs/dbraw/zinc/05/48/19/134054819.db2.gz YMNWJOMPHHCQLI-ZDUSSCGKSA-N 0 1 249.358 2.034 20 0 BEADMN CC(C)(F)CNCc1ccc2c(n1)CCC2 ZINC000639358607 355812836 /nfs/dbraw/zinc/81/28/36/355812836.db2.gz NKAYTEMTGMSKJO-UHFFFAOYSA-N 0 1 222.307 2.408 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc3ccccc3o2)C1 ZINC000639358199 355812892 /nfs/dbraw/zinc/81/28/92/355812892.db2.gz YJMLWSFIRHDFIW-MGCOHNPYSA-N 0 1 232.283 2.095 20 0 BEADMN CC(C)(F)CNCc1cccn(C(F)F)c1=O ZINC000639359017 355813623 /nfs/dbraw/zinc/81/36/23/355813623.db2.gz WRTIERLIOSNAMD-UHFFFAOYSA-N 0 1 248.248 2.081 20 0 BEADMN Cc1ncc(CN2CC(c3ccccc3)C2)n1C ZINC000639361849 355816153 /nfs/dbraw/zinc/81/61/53/355816153.db2.gz VDFTWLQBBDRGLD-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN C[C@@H]1CN(C(=O)C2=CCCCC2)C[C@H](C)N1C ZINC000336038216 134060179 /nfs/dbraw/zinc/06/01/79/134060179.db2.gz UJQOSQDZFCJVEX-TXEJJXNPSA-N 0 1 236.359 2.038 20 0 BEADMN CCC[C@H](Cc1ccccc1)[NH2+]Cc1cnn[n-]1 ZINC000628363429 355848536 /nfs/dbraw/zinc/84/85/36/355848536.db2.gz JXNNXWJEQJQEFC-CYBMUJFWSA-N 0 1 244.342 2.306 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCCOC2)o1 ZINC000336026266 134057393 /nfs/dbraw/zinc/05/73/93/134057393.db2.gz FHPJWBVFFCUFEE-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nc3ccccc3o2)[C@H](C)O1 ZINC000639378276 355912457 /nfs/dbraw/zinc/91/24/57/355912457.db2.gz SPTLAWRHLJZLFE-JFGNBEQYSA-N 0 1 246.310 2.483 20 0 BEADMN CC1(NC/C=C\c2ccc(F)cc2)COC1 ZINC000639380187 355916288 /nfs/dbraw/zinc/91/62/88/355916288.db2.gz BNLWKLRLTMVVPI-IHWYPQMZSA-N 0 1 221.275 2.217 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccncc2C)C1 ZINC000639383320 355949473 /nfs/dbraw/zinc/94/94/73/355949473.db2.gz ZKBZCHIAUDCKBQ-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN C[C@H](O)CN1CCc2ccc(Cl)cc2C1 ZINC000192772678 134067409 /nfs/dbraw/zinc/06/74/09/134067409.db2.gz LSSGIGLASNLIEH-VIFPVBQESA-N 0 1 225.719 2.079 20 0 BEADMN Clc1cccc(CN2CCc3n[nH]nc3C2)c1 ZINC000351617192 356030819 /nfs/dbraw/zinc/03/08/19/356030819.db2.gz XKAPVFIKWJQGRO-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CCCCN(C(=O)c1cc(CC)[nH]n1)C1CC1 ZINC000298307522 168756308 /nfs/dbraw/zinc/75/63/08/168756308.db2.gz QURUGVRFVGORQD-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN Cc1cccc([C@@H](C)N2CCc3n[nH]nc3C2)c1 ZINC000351631179 356035682 /nfs/dbraw/zinc/03/56/82/356035682.db2.gz FLTYFWHSFRULRP-LLVKDONJSA-N 0 1 242.326 2.232 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CC ZINC000216452317 356061268 /nfs/dbraw/zinc/06/12/68/356061268.db2.gz NRGCZGSDYUDMKE-UWVGGRQHSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cccc(C)c1[C@H](C)NCc1cnnn1C ZINC000351591598 356024533 /nfs/dbraw/zinc/02/45/33/356024533.db2.gz FZWVHYKYWSEXMQ-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)sn1 ZINC000639391067 356026521 /nfs/dbraw/zinc/02/65/21/356026521.db2.gz VAGSYDBDWXKUJA-HTQZYQBOSA-N 0 1 236.262 2.492 20 0 BEADMN COc1coc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1=O ZINC000351735350 356074657 /nfs/dbraw/zinc/07/46/57/356074657.db2.gz AKAQLVUWVOHMTB-AOOOYVTPSA-N 0 1 237.299 2.021 20 0 BEADMN CC[C@H](C)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623261939 356160745 /nfs/dbraw/zinc/16/07/45/356160745.db2.gz HYKFEYKKWQGWRG-NSHDSACASA-N 0 1 232.327 2.264 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000617571019 356133838 /nfs/dbraw/zinc/13/38/38/356133838.db2.gz DUVNFPIZYUKLIH-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN C(c1nnc2n1CCCC2)N1CCCC12CCC2 ZINC000336096438 134080483 /nfs/dbraw/zinc/08/04/83/134080483.db2.gz CEIBZMPTNWIZBU-UHFFFAOYSA-N 0 1 246.358 2.133 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000617573021 356138466 /nfs/dbraw/zinc/13/84/66/356138466.db2.gz UVXMLQFSIRXUCO-VIFPVBQESA-N 0 1 249.358 2.453 20 0 BEADMN Cc1cc(C(=O)N2Cc3ccc(C)cc3C2)n[nH]1 ZINC000336087855 134076926 /nfs/dbraw/zinc/07/69/26/134076926.db2.gz FYXBDEXUGKEKRR-UHFFFAOYSA-N 0 1 241.294 2.183 20 0 BEADMN CC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000639437696 356214911 /nfs/dbraw/zinc/21/49/11/356214911.db2.gz NGVFRNHBWIRFDV-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN C[C@@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639445349 356225997 /nfs/dbraw/zinc/22/59/97/356225997.db2.gz JWRWPBFMMPKFIR-SSDOTTSWSA-N 0 1 243.257 2.362 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000617636991 356232294 /nfs/dbraw/zinc/23/22/94/356232294.db2.gz LOKCNCDMLBHNHT-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H]1CCCCN1C ZINC000617636991 356232297 /nfs/dbraw/zinc/23/22/97/356232297.db2.gz LOKCNCDMLBHNHT-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN C[N@H+](CC(=O)Nc1ccccn1)CC1CCCC1 ZINC000639465270 356251726 /nfs/dbraw/zinc/25/17/26/356251726.db2.gz GMINMSUPMHPXQZ-UHFFFAOYSA-N 0 1 247.342 2.142 20 0 BEADMN CN(CC(=O)Nc1ccccn1)CC1CCCC1 ZINC000639465270 356251727 /nfs/dbraw/zinc/25/17/27/356251727.db2.gz GMINMSUPMHPXQZ-UHFFFAOYSA-N 0 1 247.342 2.142 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000617643206 356258786 /nfs/dbraw/zinc/25/87/86/356258786.db2.gz OUYWXXRNUQELDO-MNOVXSKESA-N 0 1 237.347 2.141 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000617638303 356241113 /nfs/dbraw/zinc/24/11/13/356241113.db2.gz KWZYBBAMXZDFNZ-GHMZBOCLSA-N 0 1 249.358 2.382 20 0 BEADMN COc1ccc(CCCN(C)CC(C)=O)cc1 ZINC000639459250 356246431 /nfs/dbraw/zinc/24/64/31/356246431.db2.gz GXKPPOBOGVPRIA-UHFFFAOYSA-N 0 1 235.327 2.149 20 0 BEADMN C[C@H]1CN(C[C@H]2CCC(F)(F)C2)CCO1 ZINC000336123828 134092040 /nfs/dbraw/zinc/09/20/40/134092040.db2.gz VPDZXKSTZFJNKM-UWVGGRQHSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CCC[C@H](O)C1 ZINC000336125030 134092752 /nfs/dbraw/zinc/09/27/52/134092752.db2.gz SHFDDZIAJINYKC-NSHDSACASA-N 0 1 238.331 2.063 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H](C)O1 ZINC000639487402 356303948 /nfs/dbraw/zinc/30/39/48/356303948.db2.gz ZQQDQRAJEPIQGS-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)C[C@H](C)O1 ZINC000639487402 356303952 /nfs/dbraw/zinc/30/39/52/356303952.db2.gz ZQQDQRAJEPIQGS-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CCCCCN1CC(=O)Nc1ccccn1 ZINC000639491178 356309480 /nfs/dbraw/zinc/30/94/80/356309480.db2.gz KZCISWRKXWCHPS-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccccn2)C1 ZINC000639505626 356333664 /nfs/dbraw/zinc/33/36/64/356333664.db2.gz YEXJVNZQRLYTJN-RYUDHWBXSA-N 0 1 247.342 2.141 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC000352400315 356337844 /nfs/dbraw/zinc/33/78/44/356337844.db2.gz XDNGXVGWGASLOX-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CC1(CN2CC[S@](=O)CC2(C)C)CCC1 ZINC000336136884 134096147 /nfs/dbraw/zinc/09/61/47/134096147.db2.gz XMKUBIFXBDTROO-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN CC1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000336137250 134096152 /nfs/dbraw/zinc/09/61/52/134096152.db2.gz FMVJRQLKEPELQS-UHFFFAOYSA-N 0 1 236.363 2.334 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1nnc2n1CCCC2 ZINC000336349276 356345102 /nfs/dbraw/zinc/34/51/02/356345102.db2.gz PBMPSMKCNSNBIB-GFCCVEGCSA-N 0 1 248.374 2.235 20 0 BEADMN CC1(CN2CCSC[C@@H]2C(N)=O)CCC1 ZINC000336138083 134096578 /nfs/dbraw/zinc/09/65/78/134096578.db2.gz AXLLHSPSDUADPT-SECBINFHSA-N 0 1 228.361 2.129 20 0 BEADMN CCCC[C@H](C)N(C)Cc1ncccn1 ZINC000352422850 356347415 /nfs/dbraw/zinc/34/74/15/356347415.db2.gz LDKKYVOXCSJYCN-NSHDSACASA-N 0 1 207.321 2.487 20 0 BEADMN C[C@H]1N(C[C@@H]2CC(C)(C)CO2)CCOC1(C)C ZINC000639518012 356360471 /nfs/dbraw/zinc/36/04/71/356360471.db2.gz VZOKTGGKNOEOQI-NEPJUHHUSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CC2)C[C@H]1C ZINC000613490117 363463067 /nfs/dbraw/zinc/46/30/67/363463067.db2.gz VBAYSTKHSMEAKN-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN CCN(Cc1cccc(F)c1F)C[C@H](C)O ZINC000352196410 134098924 /nfs/dbraw/zinc/09/89/24/134098924.db2.gz YVVLRHQVASRFJL-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cccc(CN(C)Cc2cc[nH]c(=O)c2)n1 ZINC000639532225 356381729 /nfs/dbraw/zinc/38/17/29/356381729.db2.gz DRQPLZFKZSMGCO-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CC(C)(C)c1cccc(C(=O)N2CCNCC2)c1 ZINC000201062490 356416982 /nfs/dbraw/zinc/41/69/82/356416982.db2.gz AQWHJHNUJYOBAT-UHFFFAOYSA-N 0 1 246.354 2.030 20 0 BEADMN CCC[C@H]1CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639549589 356417230 /nfs/dbraw/zinc/41/72/30/356417230.db2.gz SWEUGSSQEVZNAJ-QWHCGFSZSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cc(CN[C@@H](C)c2n[nH]c(C(C)C)n2)on1 ZINC000631101686 356420210 /nfs/dbraw/zinc/42/02/10/356420210.db2.gz LTBOFOGSDZORDB-VIFPVBQESA-N 0 1 249.318 2.075 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000623754077 356404178 /nfs/dbraw/zinc/40/41/78/356404178.db2.gz IWQNJHBJKKASGI-OLZOCXBDSA-N 0 1 249.358 2.121 20 0 BEADMN CCC(F)(F)CN1CCN(C)CC1(C)C ZINC000639555608 356458165 /nfs/dbraw/zinc/45/81/65/356458165.db2.gz SGLNSXYIIPCXAB-UHFFFAOYSA-N 0 1 220.307 2.058 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000639557983 356462996 /nfs/dbraw/zinc/46/29/96/356462996.db2.gz ARPYWDYMMFUNPZ-UWVGGRQHSA-N 0 1 220.307 2.056 20 0 BEADMN CC(C)C1(C)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000190329536 356439169 /nfs/dbraw/zinc/43/91/69/356439169.db2.gz PHFMDFGTVDRQRP-UHFFFAOYSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000639552000 356440051 /nfs/dbraw/zinc/44/00/51/356440051.db2.gz VTXAPYGIGVWUQQ-RWMBFGLXSA-N 0 1 234.343 2.499 20 0 BEADMN CC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000639566075 356485887 /nfs/dbraw/zinc/48/58/87/356485887.db2.gz OOWQTPFJPDEKIC-GFCCVEGCSA-N 0 1 243.310 2.112 20 0 BEADMN CCCN1C[C@@H](CNc2cccc(C)n2)CC1=O ZINC000420647009 192255089 /nfs/dbraw/zinc/25/50/89/192255089.db2.gz BMYFGEWGSHBFKI-GFCCVEGCSA-N 0 1 247.342 2.060 20 0 BEADMN CN(Cc1ccc(F)cc1F)C[C@H]1C[C@@H](O)C1 ZINC000420906173 192269977 /nfs/dbraw/zinc/26/99/77/192269977.db2.gz RSZFVHAYTZDNHH-WVSHTKLVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@H]1CC(C)(C)CO1 ZINC000639611732 356530080 /nfs/dbraw/zinc/53/00/80/356530080.db2.gz BGHQTELLSZWMGY-NWDGAFQWSA-N 0 1 241.375 2.301 20 0 BEADMN CNC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421005018 192297907 /nfs/dbraw/zinc/29/79/07/192297907.db2.gz JABXSOWOPKRPOE-JTQLQIEISA-N 0 1 240.372 2.266 20 0 BEADMN CCC(F)(F)CN[C@H]1CCC[C@@H]1CCO ZINC000639633495 356548019 /nfs/dbraw/zinc/54/80/19/356548019.db2.gz LMNMQFBUHQQGNA-ZJUUUORDSA-N 0 1 221.291 2.172 20 0 BEADMN Cc1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 ZINC000350587351 366303831 /nfs/dbraw/zinc/30/38/31/366303831.db2.gz AYNXEPWPIIDLKB-CIUDSAMLSA-N 0 1 209.293 2.312 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@]12CCOC2 ZINC000421028498 192308684 /nfs/dbraw/zinc/30/86/84/192308684.db2.gz WIHLEPFMRGIGKG-CQSZACIVSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1c(Cl)c(CNC[C@@H]2C[C@H]2C)nn1C ZINC000421324537 192318047 /nfs/dbraw/zinc/31/80/47/192318047.db2.gz IMKMYPIZPJTLAF-APPZFPTMSA-N 0 1 227.739 2.128 20 0 BEADMN CC[C@@H]1CN(C)CCN1CC(F)(F)CC ZINC000639656097 356572049 /nfs/dbraw/zinc/57/20/49/356572049.db2.gz GCPHMPZQOVLCDX-SNVBAGLBSA-N 0 1 220.307 2.058 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1C=CCCC1 ZINC000336208498 134133329 /nfs/dbraw/zinc/13/33/29/134133329.db2.gz OBXNHPPQHWPASD-OCCSQVGLSA-N 0 1 244.338 2.220 20 0 BEADMN C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C[C@@H](C)C1 ZINC000352284175 134134325 /nfs/dbraw/zinc/13/43/25/134134325.db2.gz NPSJHSBTEFKUDY-LOWDOPEQSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639664450 356578664 /nfs/dbraw/zinc/57/86/64/356578664.db2.gz GVTLOWBFYBJPGS-SSDOTTSWSA-N 0 1 243.257 2.362 20 0 BEADMN CC(=O)CN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000639723354 356619870 /nfs/dbraw/zinc/61/98/70/356619870.db2.gz ICBGJPSDWMCZOI-JTQLQIEISA-N 0 1 235.302 2.376 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@H](C)CO1 ZINC000639729751 356623541 /nfs/dbraw/zinc/62/35/41/356623541.db2.gz MBHRKLXDLAHTDR-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN Cc1nc([C@H](C)N(C)c2ccsc2)n[nH]1 ZINC000639736380 356629744 /nfs/dbraw/zinc/62/97/44/356629744.db2.gz PWBWJUQGCQPPDF-ZETCQYMHSA-N 0 1 222.317 2.372 20 0 BEADMN CN(Cc1cn(CC2CC2)nn1)C1CCCCC1 ZINC000450248459 202107518 /nfs/dbraw/zinc/10/75/18/202107518.db2.gz XORODZXPFKAIOK-UHFFFAOYSA-N 0 1 248.374 2.453 20 0 BEADMN CCC[C@H](C)N(C)Cc1cn(CC2CC2)nn1 ZINC000450254913 202109957 /nfs/dbraw/zinc/10/99/57/202109957.db2.gz LFFCQMPZWSPYMB-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN CCOC(=O)c1ccc(CN(CC)C2CC2)nc1 ZINC000450256127 202111564 /nfs/dbraw/zinc/11/15/64/202111564.db2.gz OVGUNUOBPBAACK-UHFFFAOYSA-N 0 1 248.326 2.243 20 0 BEADMN CCN(Cc1cn(CC2CC2)nn1)C1CCCC1 ZINC000450264611 202113293 /nfs/dbraw/zinc/11/32/93/202113293.db2.gz UNAZGJLFYOCNLC-UHFFFAOYSA-N 0 1 248.374 2.453 20 0 BEADMN CC(C)OCCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747482 356642214 /nfs/dbraw/zinc/64/22/14/356642214.db2.gz TZPCQNZNXJARQS-CYBMUJFWSA-N 0 1 242.407 2.074 20 0 BEADMN CCCN(C)Cc1ccn(CC(F)(F)F)n1 ZINC000450318610 202127832 /nfs/dbraw/zinc/12/78/32/202127832.db2.gz OBPMDTNBUZRVEC-UHFFFAOYSA-N 0 1 235.253 2.287 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cn2cccnc2n1 ZINC000123847069 358509393 /nfs/dbraw/zinc/50/93/93/358509393.db2.gz BHDFYTSOSFYSLE-CYBMUJFWSA-N 0 1 244.342 2.494 20 0 BEADMN C[C@@H](NC1CSC1)c1ccccc1[N+](=O)[O-] ZINC000390466522 356677516 /nfs/dbraw/zinc/67/75/16/356677516.db2.gz HYIAURFJYZXBCL-MRVPVSSYSA-N 0 1 238.312 2.361 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450393712 202151934 /nfs/dbraw/zinc/15/19/34/202151934.db2.gz PHOUMTIHYSLLHQ-RYUDHWBXSA-N 0 1 248.374 2.451 20 0 BEADMN O=C([O-])C1([N@@H+](Cc2ccccn2)C2CC2)CCC1 ZINC000582252807 356686732 /nfs/dbraw/zinc/68/67/32/356686732.db2.gz SEVMUQMYAJIRFH-UHFFFAOYSA-N 0 1 246.310 2.053 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000033587541 356700565 /nfs/dbraw/zinc/70/05/65/356700565.db2.gz ZJFMOGCMMXPGIZ-LLVKDONJSA-N 0 1 241.237 2.014 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000035303942 356704844 /nfs/dbraw/zinc/70/48/44/356704844.db2.gz HTWLNYVLGOGDES-GBVBUYCNSA-N 0 1 231.295 2.249 20 0 BEADMN CCc1nc(NC(=O)c2cc[nH]c2C(C)C)n[nH]1 ZINC000354065514 356730125 /nfs/dbraw/zinc/73/01/25/356730125.db2.gz RADUNFIMMHBFBR-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc[nH]c2C(C)C)n1 ZINC000354065514 356730127 /nfs/dbraw/zinc/73/01/27/356730127.db2.gz RADUNFIMMHBFBR-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1C ZINC000354155571 356731165 /nfs/dbraw/zinc/73/11/65/356731165.db2.gz ODXRVKIZNFHMDY-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1CN(Cc2cn(CC3CC3)nn2)C(C)(C)C1 ZINC000450451818 202170552 /nfs/dbraw/zinc/17/05/52/202170552.db2.gz IOOADJTXIMHVFA-NSHDSACASA-N 0 1 248.374 2.309 20 0 BEADMN CC(C)CCOCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000054342375 363566756 /nfs/dbraw/zinc/56/67/56/363566756.db2.gz PLADXJIZAAGDPV-UONOGXRCSA-N 0 1 241.375 2.302 20 0 BEADMN CC1(C)CN(C[C@@H](O)C(F)(F)F)[C@H]1C1CC1 ZINC000357444302 356833049 /nfs/dbraw/zinc/83/30/49/356833049.db2.gz YITAVTSNZWPFRD-BDAKNGLRSA-N 0 1 237.265 2.030 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639810981 356789545 /nfs/dbraw/zinc/78/95/45/356789545.db2.gz YQTQRBCDRXSIOR-BQBZGAKWSA-N 0 1 243.257 2.218 20 0 BEADMN C[C@H](N(C)Cc1cn(CC2CC2)nn1)C1(C)CC1 ZINC000450483713 202179109 /nfs/dbraw/zinc/17/91/09/202179109.db2.gz FPDZKYZYHRVOCH-NSHDSACASA-N 0 1 248.374 2.309 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450481629 202180205 /nfs/dbraw/zinc/18/02/05/202180205.db2.gz FEIFELZGRLMAMM-CYBMUJFWSA-N 0 1 248.374 2.166 20 0 BEADMN CO[C@H]1CN(CC2CCCCCC2)CCO1 ZINC000639836500 356822802 /nfs/dbraw/zinc/82/28/02/356822802.db2.gz HLGHBACMRSNTTF-CYBMUJFWSA-N 0 1 227.348 2.262 20 0 BEADMN CCC(=O)CCCN1CCOC(C)(C)[C@H]1C ZINC000450496472 202185482 /nfs/dbraw/zinc/18/54/82/202185482.db2.gz YNOKYDZVNJTVMT-LLVKDONJSA-N 0 1 227.348 2.245 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000654713898 538696955 /nfs/dbraw/zinc/69/69/55/538696955.db2.gz XKCWYFJMEHMHSJ-IJLUTSLNSA-N 0 1 249.358 2.378 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000654713899 538697275 /nfs/dbraw/zinc/69/72/75/538697275.db2.gz XKCWYFJMEHMHSJ-SDDRHHMPSA-N 0 1 249.358 2.378 20 0 BEADMN CC1(C)CN(C[C@H](O)C(F)(F)F)[C@H]1C1CC1 ZINC000357444304 356832963 /nfs/dbraw/zinc/83/29/63/356832963.db2.gz YITAVTSNZWPFRD-IUCAKERBSA-N 0 1 237.265 2.030 20 0 BEADMN O=C(CN1CC[C@H]2C[C@H]2C1)c1ccccc1F ZINC000639861378 356867341 /nfs/dbraw/zinc/86/73/41/356867341.db2.gz SAJJLCOXMIVRIN-QWRGUYRKSA-N 0 1 233.286 2.350 20 0 BEADMN O=C(CN1CC[C@@H]2C[C@@H]2C1)c1ccccc1F ZINC000639861375 356867590 /nfs/dbraw/zinc/86/75/90/356867590.db2.gz SAJJLCOXMIVRIN-GHMZBOCLSA-N 0 1 233.286 2.350 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@H]1CCC(F)(F)C1 ZINC000450550089 202190562 /nfs/dbraw/zinc/19/05/62/202190562.db2.gz AUXMGNXCFBPANM-UWVGGRQHSA-N 0 1 249.301 2.305 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ncc[nH]1 ZINC000309553406 491104057 /nfs/dbraw/zinc/10/40/57/491104057.db2.gz IYQVGDPWZOADCO-VHSXEESVSA-N 0 1 223.320 2.018 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358715019 356876422 /nfs/dbraw/zinc/87/64/22/356876422.db2.gz VADWKMXVVXHGSV-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](CO)CNCc1c(F)ccc(F)c1Cl ZINC000623374138 356886415 /nfs/dbraw/zinc/88/64/15/356886415.db2.gz XLPRLRGPKUVTIZ-ZETCQYMHSA-N 0 1 249.688 2.336 20 0 BEADMN COCCCCCN1CCC[C@H]1c1ncccn1 ZINC000639842720 356837756 /nfs/dbraw/zinc/83/77/56/356837756.db2.gz IMXPXJYLHXNLMV-ZDUSSCGKSA-N 0 1 249.358 2.430 20 0 BEADMN CCC(=O)CCCN1CCOC2(CCCC2)C1 ZINC000450496374 202185718 /nfs/dbraw/zinc/18/57/18/202185718.db2.gz AUSXZWVSTLLAHF-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)CC1(C)C ZINC000450516181 202188598 /nfs/dbraw/zinc/18/85/98/202188598.db2.gz KFGBISSUDKQKKL-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C(=O)N1CCc2c1cccc2C)N(C)C ZINC000155674866 538725521 /nfs/dbraw/zinc/72/55/21/538725521.db2.gz HBIIYSMMOBHOKL-ZDUSSCGKSA-N 0 1 246.354 2.224 20 0 BEADMN CC(C)N(Cc1cn(CC2CC2)nn1)C1CCC1 ZINC000450572020 202200426 /nfs/dbraw/zinc/20/04/26/202200426.db2.gz SZGIJHSUCUUBII-UHFFFAOYSA-N 0 1 248.374 2.451 20 0 BEADMN CCc1nnc(CN(CC2CC2)C2CCC2)[nH]1 ZINC000361581081 356933254 /nfs/dbraw/zinc/93/32/54/356933254.db2.gz FKBIXWRUFFPUPR-UHFFFAOYSA-N 0 1 234.347 2.132 20 0 BEADMN C[C@@H](NCCOC1CCCCC1)c1ncc[nH]1 ZINC000353387796 538740525 /nfs/dbraw/zinc/74/05/25/538740525.db2.gz PMCOLANZBAKTPD-LLVKDONJSA-N 0 1 237.347 2.410 20 0 BEADMN CCC[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000054460763 363572313 /nfs/dbraw/zinc/57/23/13/363572313.db2.gz TXRQTCGCGSVDOT-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(Cl)cn1 ZINC000582317029 357055800 /nfs/dbraw/zinc/05/58/00/357055800.db2.gz XOPRYLGPOHNGQR-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN C[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])cn1)C1(C)CC1 ZINC000385264770 357043653 /nfs/dbraw/zinc/04/36/53/357043653.db2.gz YQVLCILMJQCNKS-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN CCCCOC1CCN(Cc2cncnc2)CC1 ZINC000353999128 538771414 /nfs/dbraw/zinc/77/14/14/538771414.db2.gz YPZIDGXKFSPIMD-UHFFFAOYSA-N 0 1 249.358 2.258 20 0 BEADMN FC1(CNCc2cccc3c2OCO3)CC1 ZINC000390758685 357114997 /nfs/dbraw/zinc/11/49/97/357114997.db2.gz KICSACQLAJNUGN-UHFFFAOYSA-N 0 1 223.247 2.007 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000389901035 357064324 /nfs/dbraw/zinc/06/43/24/357064324.db2.gz BWSPVQAIAKJBQH-CKYFFXLPSA-N 0 1 209.289 2.416 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccccc1F ZINC000389989594 357078417 /nfs/dbraw/zinc/07/84/17/357078417.db2.gz NVCIAVGOIZFCOU-NEPJUHHUSA-N 0 1 209.264 2.093 20 0 BEADMN C[C@@H](Cc1ccsc1)NCc1cocn1 ZINC000390002873 357083939 /nfs/dbraw/zinc/08/39/39/357083939.db2.gz UVLGZGYOZFVRIK-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000390241730 357086503 /nfs/dbraw/zinc/08/65/03/357086503.db2.gz HWVYJAMVOBZZMY-WCQYABFASA-N 0 1 223.316 2.282 20 0 BEADMN CCc1nc(CN[C@@H](COC)C2CC2)cs1 ZINC000156483529 538784469 /nfs/dbraw/zinc/78/44/69/538784469.db2.gz LXJMCBJTIOMRRK-NSHDSACASA-N 0 1 240.372 2.220 20 0 BEADMN COCC1(NCc2cc(F)ccc2F)CC1 ZINC000390478812 357095455 /nfs/dbraw/zinc/09/54/55/357095455.db2.gz LVLSNZHTSQFFHT-UHFFFAOYSA-N 0 1 227.254 2.233 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(C)ccc1F ZINC000390524036 357100679 /nfs/dbraw/zinc/10/06/79/357100679.db2.gz GEQFUCUIOKLSMY-STQMWFEESA-N 0 1 223.291 2.401 20 0 BEADMN FC1(CNCc2ccc3c(c2)OCO3)CC1 ZINC000390760501 357116127 /nfs/dbraw/zinc/11/61/27/357116127.db2.gz MHFPXDUKJYZZKR-UHFFFAOYSA-N 0 1 223.247 2.007 20 0 BEADMN CC[C@@H](c1ccccc1)N(C)CC(=O)NC1CC1 ZINC000122859740 357195307 /nfs/dbraw/zinc/19/53/07/357195307.db2.gz SSLPAENEGPQAGW-AWEZNQCLSA-N 0 1 246.354 2.348 20 0 BEADMN CC1(C)OC[C@H]2C[C@]21NCc1cnc(C2CC2)o1 ZINC000628421797 357242705 /nfs/dbraw/zinc/24/27/05/357242705.db2.gz XTTOEDUHUSNTJU-YGRLFVJLSA-N 0 1 248.326 2.209 20 0 BEADMN CC1(C)CO[C@@H](CN2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000639893094 357224357 /nfs/dbraw/zinc/22/43/57/357224357.db2.gz ODNPJUMXRQPBMB-FRRDWIJNSA-N 0 1 239.359 2.055 20 0 BEADMN Cc1ncncc1[C@@H](C)NCC(C)(C)F ZINC000631662870 357226030 /nfs/dbraw/zinc/22/60/30/357226030.db2.gz OBUACWCYRBKZON-MRVPVSSYSA-N 0 1 211.284 2.184 20 0 BEADMN CCC(C)(C)N(C)Cc1oncc1C(=O)OC ZINC000351877167 535355886 /nfs/dbraw/zinc/35/58/86/535355886.db2.gz AXBIDUMKAADHGU-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN CCc1nnc(CN2CCC3(CCC3)CC2)[nH]1 ZINC000375738739 357187642 /nfs/dbraw/zinc/18/76/42/357187642.db2.gz RPSXEDVHDSMFQQ-UHFFFAOYSA-N 0 1 234.347 2.133 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1cncs1 ZINC000631260869 357243830 /nfs/dbraw/zinc/24/38/30/357243830.db2.gz QUHVSFZNPCDXQS-RNFRBKRXSA-N 0 1 222.235 2.184 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628423044 357246495 /nfs/dbraw/zinc/24/64/95/357246495.db2.gz ZQIURTMOCASFGY-MNOVXSKESA-N 0 1 237.372 2.188 20 0 BEADMN CC/C=C\CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000583698465 357272610 /nfs/dbraw/zinc/27/26/10/357272610.db2.gz BEANTJCUVCJOLV-DLRQAJBASA-N 0 1 211.305 2.139 20 0 BEADMN COCC[C@@H]1CCC[C@H]1NCC(C)(F)F ZINC000393947121 357321553 /nfs/dbraw/zinc/32/15/53/357321553.db2.gz NOKYFOIKWSBMJB-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)[C@@H]1C ZINC000639902992 357328286 /nfs/dbraw/zinc/32/82/86/357328286.db2.gz MFLMHTSRNMTJBV-RNFRBKRXSA-N 0 1 243.257 2.218 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cn2ccccc2n1 ZINC000582736207 357376689 /nfs/dbraw/zinc/37/66/89/357376689.db2.gz VGGXBBGDWFUSDG-UTUOFQBUSA-N 0 1 245.326 2.162 20 0 BEADMN CCN(C(=O)[C@H](C)N1CC(C)C1)C1CCCC1 ZINC000582734542 357376865 /nfs/dbraw/zinc/37/68/65/357376865.db2.gz MANBTWCOHYKOFE-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(C(=O)c1cc(C)[nH]n1)[C@H](C)C(C)C ZINC000582633565 357355958 /nfs/dbraw/zinc/35/59/58/357355958.db2.gz VJJDUIVKDUWZOF-SNVBAGLBSA-N 0 1 223.320 2.225 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000582812017 357401546 /nfs/dbraw/zinc/40/15/46/357401546.db2.gz LCOMDRUAIFATRQ-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN COC[C@@H](C)CNc1cc2c(cn1)CCCC2 ZINC000583117837 357476075 /nfs/dbraw/zinc/47/60/75/357476075.db2.gz ZGDSEPFIPFFHFA-NSHDSACASA-N 0 1 234.343 2.077 20 0 BEADMN CC1(C)COCCN1C[C@@H](O)CC1CCCC1 ZINC000188638783 357569229 /nfs/dbraw/zinc/56/92/29/357569229.db2.gz OJRLTVSVEQTFBT-ZDUSSCGKSA-N 0 1 241.375 2.038 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@]12C[C@@H]1CCC2 ZINC000583197955 357517087 /nfs/dbraw/zinc/51/70/87/357517087.db2.gz RTFUADQWJFDLMA-ZANVPECISA-N 0 1 246.314 2.201 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@]12C[C@@H]1CCC2 ZINC000583197955 357517091 /nfs/dbraw/zinc/51/70/91/357517091.db2.gz RTFUADQWJFDLMA-ZANVPECISA-N 0 1 246.314 2.201 20 0 BEADMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(O)c2)CC1 ZINC000230376003 357530727 /nfs/dbraw/zinc/53/07/27/357530727.db2.gz FBAJWXZUILRCHY-CQSZACIVSA-N 0 1 235.327 2.129 20 0 BEADMN CC[C@H](C)CNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000230800210 357565282 /nfs/dbraw/zinc/56/52/82/357565282.db2.gz NMLLNVRFQHLIGJ-GWCFXTLKSA-N 0 1 234.343 2.157 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000390433227 538866954 /nfs/dbraw/zinc/86/69/54/538866954.db2.gz GEKSOFRPYOJSIH-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1nc([C@H]2CCCN2CCCCO)cs1 ZINC000189831484 357673600 /nfs/dbraw/zinc/67/36/00/357673600.db2.gz IRINHZAHFZZHAA-GFCCVEGCSA-N 0 1 240.372 2.361 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(C)c1 ZINC000063762147 357718553 /nfs/dbraw/zinc/71/85/53/357718553.db2.gz MLTZBSGGIXVHIM-UHFFFAOYSA-N 0 1 220.316 2.275 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CCO[C@H]2C2CC2)n1 ZINC000232830445 357684953 /nfs/dbraw/zinc/68/49/53/357684953.db2.gz HTPGYQHMBLXCGC-KGLIPLIRSA-N 0 1 249.358 2.121 20 0 BEADMN CC[C@H]1CCN1Cc1cc(C(=O)OC)oc1C ZINC000583240283 357686612 /nfs/dbraw/zinc/68/66/12/357686612.db2.gz VFZMEEJUYUGLQL-NSHDSACASA-N 0 1 237.299 2.359 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@]12CCOC2=O ZINC000190035160 357687562 /nfs/dbraw/zinc/68/75/62/357687562.db2.gz CTJKKKGSCQTDEO-CYBMUJFWSA-N 0 1 225.332 2.204 20 0 BEADMN C[C@H](NCc1ncccn1)[C@@H]1CC1(C)C ZINC000397841674 357730137 /nfs/dbraw/zinc/73/01/37/357730137.db2.gz YKIUZEQBGDVWJA-UWVGGRQHSA-N 0 1 205.305 2.001 20 0 BEADMN CCCN(Cc1ncccn1)CC1CC1 ZINC000191879399 357802182 /nfs/dbraw/zinc/80/21/82/357802182.db2.gz NNOJHIVVKAOALK-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CCN(Cc1ncccn1)[C@H](C)C(C)C ZINC000191967272 357807284 /nfs/dbraw/zinc/80/72/84/357807284.db2.gz SQELOGWTAZYYBE-LLVKDONJSA-N 0 1 207.321 2.343 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1ncccn1 ZINC000192056276 357815706 /nfs/dbraw/zinc/81/57/06/357815706.db2.gz ZDGGCEIDSALNAQ-LLVKDONJSA-N 0 1 207.321 2.345 20 0 BEADMN Cc1ocnc1CNC[C@@H](O)CC1CCCC1 ZINC000397977914 357820130 /nfs/dbraw/zinc/82/01/30/357820130.db2.gz GHPOFXZMOHSDTR-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN CCC(CC)N(CCOC)Cc1ncccn1 ZINC000191989972 357820167 /nfs/dbraw/zinc/82/01/67/357820167.db2.gz WAZJPSSFQDDPGO-UHFFFAOYSA-N 0 1 237.347 2.114 20 0 BEADMN Cc1ncc(CNC[C@H](O)CC2CCCC2)o1 ZINC000398069122 357833880 /nfs/dbraw/zinc/83/38/80/357833880.db2.gz NEAPDBFYKHZICB-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN COCCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926220 357842074 /nfs/dbraw/zinc/84/20/74/357842074.db2.gz VBMONVRJXUTCPA-NSHDSACASA-N 0 1 209.289 2.309 20 0 BEADMN CN(Cc1ccc(CO)o1)[C@@H]1CC1(C)C ZINC000583299066 357884214 /nfs/dbraw/zinc/88/42/14/357884214.db2.gz MWMTWCSEIRNAJX-LLVKDONJSA-N 0 1 209.289 2.002 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1ccncc1Cl ZINC000235654562 357927031 /nfs/dbraw/zinc/92/70/31/357927031.db2.gz FSVXQUDRXAADTJ-SKDRFNHKSA-N 0 1 240.734 2.392 20 0 BEADMN C[N@@H+](C/C=C\c1ccc(Cl)cc1)CC(=O)[O-] ZINC000584457206 357974127 /nfs/dbraw/zinc/97/41/27/357974127.db2.gz BTDKGDFXFFRRDU-IHWYPQMZSA-N 0 1 239.702 2.370 20 0 BEADMN CCC[N@@H+](C)CCOc1ccccc1C(=O)[O-] ZINC000035732065 357999016 /nfs/dbraw/zinc/99/90/16/357999016.db2.gz CGGGXEKZXKRIGI-UHFFFAOYSA-N 0 1 237.299 2.105 20 0 BEADMN CSc1nc(=O)n(C[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000584480966 357996712 /nfs/dbraw/zinc/99/67/12/357996712.db2.gz UTBNYUJZLPDBSF-BDAKNGLRSA-N 0 1 241.360 2.120 20 0 BEADMN Cc1cc(CNc2ncc(Cl)s2)n[nH]1 ZINC000307554318 491118664 /nfs/dbraw/zinc/11/86/64/491118664.db2.gz MKGLVIZUKXSHBG-UHFFFAOYSA-N 0 1 228.708 2.440 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccnc(N)c2)s1 ZINC000639995053 358034168 /nfs/dbraw/zinc/03/41/68/358034168.db2.gz IBCOQFBXCPTYSX-MRVPVSSYSA-N 0 1 248.355 2.110 20 0 BEADMN Cc1ncc([C@@H](C)NCc2cccnc2N)s1 ZINC000639996888 358034992 /nfs/dbraw/zinc/03/49/92/358034992.db2.gz SBQUHRHJDNTFDM-MRVPVSSYSA-N 0 1 248.355 2.280 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000036926546 358056636 /nfs/dbraw/zinc/05/66/36/358056636.db2.gz VOJQKJOUXDKULI-AOOOYVTPSA-N 0 1 237.299 2.456 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000037173646 358059865 /nfs/dbraw/zinc/05/98/65/358059865.db2.gz RAGIRZPVMABELN-SECBINFHSA-N 0 1 225.288 2.456 20 0 BEADMN C[C@H](NCCC(N)=O)c1ccc(F)cc1Cl ZINC000037262071 358061578 /nfs/dbraw/zinc/06/15/78/358061578.db2.gz RFSQEMYEBSCKEP-ZETCQYMHSA-N 0 1 244.697 2.005 20 0 BEADMN COC(=O)[C@H]1CCCCN1[C@H]1C=CCCC1 ZINC000169229635 134249975 /nfs/dbraw/zinc/24/99/75/134249975.db2.gz FNEHDLWTPJZEPG-NWDGAFQWSA-N 0 1 223.316 2.123 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000037925791 358098098 /nfs/dbraw/zinc/09/80/98/358098098.db2.gz FIYVJQGZGLQGLY-GFCCVEGCSA-N 0 1 219.284 2.154 20 0 BEADMN CC[C@]1(O)CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000640035177 358123776 /nfs/dbraw/zinc/12/37/76/358123776.db2.gz GWTWTWNOOPLLBE-AAEUAGOBSA-N 0 1 238.331 2.281 20 0 BEADMN CC[C@H](C)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039226 358138110 /nfs/dbraw/zinc/13/81/10/358138110.db2.gz RKZWYXJZWQCVDT-CXQJBGSLSA-N 0 1 248.374 2.406 20 0 BEADMN CC(C)N(Cc1cn(CC2CC2)nn1)C(C)C ZINC000450654926 202229463 /nfs/dbraw/zinc/22/94/63/202229463.db2.gz RYVPFLSJNCTSCN-UHFFFAOYSA-N 0 1 236.363 2.307 20 0 BEADMN CCC[C@H](O)CN[C@H](CC)c1nccs1 ZINC000450728091 202248690 /nfs/dbraw/zinc/24/86/90/202248690.db2.gz NZQGYVJADMZUBY-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@@H](C)C1CCCCC1 ZINC000450728008 202248873 /nfs/dbraw/zinc/24/88/73/202248873.db2.gz NUCQAPXNRVNDLU-MNOVXSKESA-N 0 1 236.363 2.499 20 0 BEADMN CCN(Cc1cn(C)nn1)[C@H](C)CC(C)C ZINC000450721274 202243778 /nfs/dbraw/zinc/24/37/78/202243778.db2.gz WODDSYHQZPBHMZ-LLVKDONJSA-N 0 1 224.352 2.072 20 0 BEADMN C[C@H](CO)[C@H](C)NCc1cc(C(C)(C)C)on1 ZINC000450740763 202251915 /nfs/dbraw/zinc/25/19/15/202251915.db2.gz WKTUAVFFAZJCKE-ZJUUUORDSA-N 0 1 240.347 2.079 20 0 BEADMN CN1CCC[C@@H]1C(=O)N[C@H]1CCCCC1(C)C ZINC000134745263 325374857 /nfs/dbraw/zinc/37/48/57/325374857.db2.gz OOCJUHHEDZSZCL-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000226496039 358340010 /nfs/dbraw/zinc/34/00/10/358340010.db2.gz RDPKTLDMVQBWEZ-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCc1[nH+]ccn1Cc1ccc(C(=O)[O-])cc1 ZINC000042373916 358347608 /nfs/dbraw/zinc/34/76/08/358347608.db2.gz XUKIZZWFZIXEAN-UHFFFAOYSA-N 0 1 230.267 2.192 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000042436817 358349087 /nfs/dbraw/zinc/34/90/87/358349087.db2.gz DMCOMAXKUWKNRK-VIFPVBQESA-N 0 1 225.263 2.121 20 0 BEADMN CC(C)[N@@H+](CCCCC(=O)[O-])CC1CC1 ZINC000042585876 358352384 /nfs/dbraw/zinc/35/23/84/358352384.db2.gz DREJTLCEYLRXBX-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@H](CC)C[N@@H+](C)CC(=O)[O-] ZINC000043455866 358376468 /nfs/dbraw/zinc/37/64/68/358376468.db2.gz JEJTYRAWXZFWPW-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000227580841 358359778 /nfs/dbraw/zinc/35/97/78/358359778.db2.gz YMSMEWDMQJJPJV-YPMHNXCESA-N 0 1 233.311 2.290 20 0 BEADMN CCCCN(C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000044426645 358408789 /nfs/dbraw/zinc/40/87/89/358408789.db2.gz FHRNIRXHXYJQBC-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000229301827 358401189 /nfs/dbraw/zinc/40/11/89/358401189.db2.gz IQEFYNGBSIGLOP-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(CNCc2ccncc2Cl)n[nH]1 ZINC000623426621 358418887 /nfs/dbraw/zinc/41/88/87/358418887.db2.gz TWXVGNBDNSCTBI-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN C=C(CC)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299898982 358420236 /nfs/dbraw/zinc/42/02/36/358420236.db2.gz WLIYMZRVEAMZCN-QJPTWQEYSA-N 0 1 223.316 2.138 20 0 BEADMN CCSCCN(C)Cc1ccc(OC)nc1 ZINC000610999296 358425549 /nfs/dbraw/zinc/42/55/49/358425549.db2.gz ZJNKCPCXJMPXBD-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN COCC(C)(C)NCc1c(F)cccc1F ZINC000135096785 325392772 /nfs/dbraw/zinc/39/27/72/325392772.db2.gz YAISDQSBVOIAIX-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN CCN(CC(=O)N(C)Cc1ccccc1)C1CC1 ZINC000045770767 358565360 /nfs/dbraw/zinc/56/53/60/358565360.db2.gz SVMCWZRQDMYARU-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CCN(CC(=O)NC1CCC(C)CC1)C1CC1 ZINC000045770830 358565404 /nfs/dbraw/zinc/56/54/04/358565404.db2.gz RUBXGQGQLVDBQO-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CCS(=O)(=O)CCCCCN1[C@H](C)C[C@H]1C ZINC000547769346 325394719 /nfs/dbraw/zinc/39/47/19/325394719.db2.gz HHXXNCDLJBIRTM-VXGBXAGGSA-N 0 1 247.404 2.074 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCSC(C)(C)CC1 ZINC000231053824 358579344 /nfs/dbraw/zinc/57/93/44/358579344.db2.gz ACIAUGHJOMFKFF-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN Cc1noc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000130261883 358615605 /nfs/dbraw/zinc/61/56/05/358615605.db2.gz LYFDXHVPXLHXMD-LLVKDONJSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2CC(C)C)o1 ZINC000130304470 358618550 /nfs/dbraw/zinc/61/85/50/358618550.db2.gz YOZZMTUMULYMEC-NSHDSACASA-N 0 1 223.320 2.389 20 0 BEADMN CCN(CC(=O)NCC(C)C)Cc1ccccc1 ZINC000048615640 358645333 /nfs/dbraw/zinc/64/53/33/358645333.db2.gz VNGNZBCPGTVPSS-UHFFFAOYSA-N 0 1 248.370 2.281 20 0 BEADMN CCCN(CCO)Cc1nc2ccccc2o1 ZINC000049826609 358703880 /nfs/dbraw/zinc/70/38/80/358703880.db2.gz BVTQTIJQXUQICH-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN CC[C@H](OC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049447122 358689423 /nfs/dbraw/zinc/68/94/23/358689423.db2.gz LFCHJKQPGHFUAE-LBPRGKRZSA-N 0 1 247.298 2.235 20 0 BEADMN CCCN(C)CC(=O)Nc1nc(C)c(C)s1 ZINC000049480427 358690080 /nfs/dbraw/zinc/69/00/80/358690080.db2.gz NWOMFEPWWLDLQW-UHFFFAOYSA-N 0 1 241.360 2.040 20 0 BEADMN CCN(Cc1c(C)n[nH]c1C)C[C@@H]1CCCO1 ZINC000131790259 358692726 /nfs/dbraw/zinc/69/27/26/358692726.db2.gz PLMNBVDPTGTSIZ-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@@H]1CN(CCC2CCCC2)CCC1=O ZINC000049693782 358698383 /nfs/dbraw/zinc/69/83/83/358698383.db2.gz KTHBIZFDXLNYLQ-LLVKDONJSA-N 0 1 209.333 2.478 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000050924740 358739197 /nfs/dbraw/zinc/73/91/97/358739197.db2.gz XRJDIHJVILHWHY-CYBMUJFWSA-N 0 1 248.326 2.301 20 0 BEADMN CC(C)OCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050925809 358739503 /nfs/dbraw/zinc/73/95/03/358739503.db2.gz MLFXWWDLRMXDSA-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCC1CCCC1 ZINC000578245517 366469119 /nfs/dbraw/zinc/46/91/19/366469119.db2.gz QXTDMXHITJHQIU-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nccc(N)n2)C1 ZINC000135098531 358820308 /nfs/dbraw/zinc/82/03/08/358820308.db2.gz TUKPTVLIIGLAHM-MNOVXSKESA-N 0 1 234.347 2.069 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1nc2c(s1)CCC2 ZINC000134649527 358800483 /nfs/dbraw/zinc/80/04/83/358800483.db2.gz YPRKXJWEZLJXLE-IUCAKERBSA-N 0 1 238.356 2.071 20 0 BEADMN Cn1ncnc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000640217802 358859559 /nfs/dbraw/zinc/85/95/59/358859559.db2.gz ADKMXKFKKDPQKY-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN COc1cc(CNCc2cnccc2C)ccn1 ZINC000135460007 358839434 /nfs/dbraw/zinc/83/94/34/358839434.db2.gz FXGZRJAGXZSMAY-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN c1ccc(CN2CCOCC23CCC3)cc1 ZINC000135491904 358840424 /nfs/dbraw/zinc/84/04/24/358840424.db2.gz GVQQQRIAKCQBLY-UHFFFAOYSA-N 0 1 217.312 2.442 20 0 BEADMN CC(C)CSCCC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000578329671 366519402 /nfs/dbraw/zinc/51/94/02/366519402.db2.gz KUOBCRDMYIXEAW-NSHDSACASA-N 0 1 247.404 2.418 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000578329409 366520176 /nfs/dbraw/zinc/52/01/76/366520176.db2.gz BSUGKJYHKXPTBV-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CCCCCC(=O)N1CCN(CC2CC2)CC1 ZINC000055668736 358889532 /nfs/dbraw/zinc/88/95/32/358889532.db2.gz ARXLFQPKXGOLHH-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@H](CN[C@@H](C)c1ncc[nH]1)C(F)(F)F ZINC000308828947 491138344 /nfs/dbraw/zinc/13/83/44/491138344.db2.gz FLPJQWOIPNVGOE-RQJHMYQMSA-N 0 1 221.226 2.259 20 0 BEADMN C[N@@H+](CCc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000086441135 358975127 /nfs/dbraw/zinc/97/51/27/358975127.db2.gz YDOXJEHVZUYGLC-NSHDSACASA-N 0 1 239.340 2.086 20 0 BEADMN Cn1cc(Cl)c(CNCC(C)(C)C)n1 ZINC000393279132 358941443 /nfs/dbraw/zinc/94/14/43/358941443.db2.gz FILUZANZSRGYKT-UHFFFAOYSA-N 0 1 215.728 2.209 20 0 BEADMN Cc1cc(CNCc2ccnn2C)cc(C)c1O ZINC000070141174 359042899 /nfs/dbraw/zinc/04/28/99/359042899.db2.gz FBAPKNHQMMZGBU-UHFFFAOYSA-N 0 1 245.326 2.032 20 0 BEADMN C[C@H](NC(=O)C(C)(Cl)Cl)C(F)(F)F ZINC000306189387 359005688 /nfs/dbraw/zinc/00/56/88/359005688.db2.gz DOVKIEHODXUOTI-VKHMYHEASA-N 0 1 238.036 2.247 20 0 BEADMN C[C@H]1CN(Cc2ccno2)C[C@H](C)S1 ZINC000072770294 359089842 /nfs/dbraw/zinc/08/98/42/359089842.db2.gz RQMIQZLEJBKLJE-IUCAKERBSA-N 0 1 212.318 2.000 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@H](C)C2)o1 ZINC000073619372 359103691 /nfs/dbraw/zinc/10/36/91/359103691.db2.gz DXKXTJVEEGMWHJ-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nccc(NCc2cn[nH]c2)c1Cl ZINC000308876226 491139351 /nfs/dbraw/zinc/13/93/51/491139351.db2.gz UOEHCOCKIJUEFN-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN C[C@H]1CCCN(Cc2cn3cccnc3n2)[C@H]1C ZINC000246942549 359176050 /nfs/dbraw/zinc/17/60/50/359176050.db2.gz QUWRYJNPKPEBIN-RYUDHWBXSA-N 0 1 244.342 2.350 20 0 BEADMN CC[C@@H](O)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000247686591 359240814 /nfs/dbraw/zinc/24/08/14/359240814.db2.gz VCNQKKCYZJEPDB-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN c1nc(C[N@H+]2CCCC3(CC3)CC2)co1 ZINC000628480207 359317950 /nfs/dbraw/zinc/31/79/50/359317950.db2.gz DRGWDMPRDCWZJA-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN c1nc(CN2CCCC3(CC3)CC2)co1 ZINC000628480207 359317955 /nfs/dbraw/zinc/31/79/55/359317955.db2.gz DRGWDMPRDCWZJA-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@](C)(O)C1 ZINC000248324549 359262984 /nfs/dbraw/zinc/26/29/84/359262984.db2.gz ARLQZBNJPTYUQZ-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)CC1 ZINC000613834202 363658609 /nfs/dbraw/zinc/65/86/09/363658609.db2.gz JDHFIKAVMNSTOI-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)[C@@H]1CCCCCN1CC=C(C)C ZINC000611574590 359397412 /nfs/dbraw/zinc/39/74/12/359397412.db2.gz BYNUSDLQHWFHJR-LBPRGKRZSA-N 0 1 225.332 2.370 20 0 BEADMN C[C@@H]1c2ccccc2CN1C(=O)C1(N(C)C)CC1 ZINC000611780919 359448230 /nfs/dbraw/zinc/44/82/30/359448230.db2.gz UVPHRIFRGSUCMN-LLVKDONJSA-N 0 1 244.338 2.184 20 0 BEADMN C[C@H](NCC1(C(F)F)CC1)c1ncc[nH]1 ZINC000308931210 491140559 /nfs/dbraw/zinc/14/05/59/491140559.db2.gz FKIFYONGBHNLIA-ZETCQYMHSA-N 0 1 215.247 2.106 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N1[C@H](C)C[C@H]1C ZINC000548754149 325478856 /nfs/dbraw/zinc/47/88/56/325478856.db2.gz DIQKAXGEAQWYCI-JHJVBQTASA-N 0 1 238.375 2.260 20 0 BEADMN Cc1nsc(C)c1CSc1cn[nH]n1 ZINC000580449703 359556314 /nfs/dbraw/zinc/55/63/14/359556314.db2.gz XXQGFUVMYUKBDX-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1nnc(CNCCC(C)(C)C)s1 ZINC000379663486 359576467 /nfs/dbraw/zinc/57/64/67/359576467.db2.gz SSHCSXHKSSUZFU-UHFFFAOYSA-N 0 1 213.350 2.372 20 0 BEADMN CCc1cc(CCCSc2cn[nH]n2)on1 ZINC000450856000 202289099 /nfs/dbraw/zinc/28/90/99/202289099.db2.gz GLCBRINJSMRVIN-UHFFFAOYSA-N 0 1 238.316 2.080 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2cn(CC3CC3)nn2)C1 ZINC000450861494 202291551 /nfs/dbraw/zinc/29/15/51/202291551.db2.gz YOJAWDLMJMCJBP-RISCZKNCSA-N 0 1 248.374 2.309 20 0 BEADMN c1nnsc1CN(CC1CC1)C1CCC1 ZINC000450902573 202303617 /nfs/dbraw/zinc/30/36/17/202303617.db2.gz YLAJOBQAFDKZPX-UHFFFAOYSA-N 0 1 223.345 2.303 20 0 BEADMN CCC(CC)(CC)CNC(=O)C1(N(C)C)CC1 ZINC000612337216 359800456 /nfs/dbraw/zinc/80/04/56/359800456.db2.gz NUNBNALSFIAAIA-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](NCc1nccs1)[C@@H]1CCCCO1 ZINC000309095728 491144762 /nfs/dbraw/zinc/14/47/62/491144762.db2.gz CSTLFKUIPTWEIB-ZJUUUORDSA-N 0 1 226.345 2.190 20 0 BEADMN CCC[C@H](O)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000450976752 202322259 /nfs/dbraw/zinc/32/22/59/202322259.db2.gz DMOIULLRHVLCQY-AAEUAGOBSA-N 0 1 237.347 2.098 20 0 BEADMN CC(C)=CCN[C@@](C)(CO)c1cccc(O)c1 ZINC000451037954 202334257 /nfs/dbraw/zinc/33/42/57/202334257.db2.gz MFGAGCZPQBCVSZ-AWEZNQCLSA-N 0 1 235.327 2.156 20 0 BEADMN CC(C)n1cc(CN(C)C(C)(C)C)nn1 ZINC000578503781 366581660 /nfs/dbraw/zinc/58/16/60/366581660.db2.gz NIJOHILENGEACH-UHFFFAOYSA-N 0 1 210.325 2.089 20 0 BEADMN Cc1ccc(Cc2nc(C3(N)CCCC3)no2)o1 ZINC000578505962 366583236 /nfs/dbraw/zinc/58/32/36/366583236.db2.gz VRPZZDXHNQWYES-UHFFFAOYSA-N 0 1 247.298 2.290 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncs2)[nH]n1 ZINC000309119129 491145134 /nfs/dbraw/zinc/14/51/34/491145134.db2.gz MULIUPRAEXJNGF-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN COC(=O)CC1(CN2CCC[C@@](C)(F)C2)CC1 ZINC000451115642 202355517 /nfs/dbraw/zinc/35/55/17/202355517.db2.gz PBZCFLFWHNFABN-GFCCVEGCSA-N 0 1 243.322 2.154 20 0 BEADMN CC(C)c1cccc(NC(=O)N2CCNCC2)c1 ZINC000118809747 359871863 /nfs/dbraw/zinc/87/18/63/359871863.db2.gz CASUJKRVILCZRO-UHFFFAOYSA-N 0 1 247.342 2.247 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000612531746 359878055 /nfs/dbraw/zinc/87/80/55/359878055.db2.gz GRYDIJNWUMGXQP-GHMZBOCLSA-N 0 1 247.342 2.340 20 0 BEADMN CO[C@@H](CN1CC[C@@H](F)C1)c1ccccc1 ZINC000451196903 202375093 /nfs/dbraw/zinc/37/50/93/202375093.db2.gz NLXRWRZGKAHEEN-OLZOCXBDSA-N 0 1 223.291 2.418 20 0 BEADMN CCN(CCc1ccc(C)cc1)C1COC1 ZINC000451290474 202396450 /nfs/dbraw/zinc/39/64/50/202396450.db2.gz XUEAOYYYOJKQFU-UHFFFAOYSA-N 0 1 219.328 2.258 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)N1CCNC[C@H]1C ZINC000578650014 366618837 /nfs/dbraw/zinc/61/88/37/366618837.db2.gz ZYTYKLIMMCZGBT-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN COc1ncccc1CN1CCC(CF)CC1 ZINC000451390835 202412854 /nfs/dbraw/zinc/41/28/54/202412854.db2.gz DYBGUDQTGRYVNU-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)C1 ZINC000578785625 366648619 /nfs/dbraw/zinc/64/86/19/366648619.db2.gz OOJDMYDAYSUEAX-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CC1(C)C(=O)NCCN1CCCC1CCCC1 ZINC000088505917 359964484 /nfs/dbraw/zinc/96/44/84/359964484.db2.gz DEESTFPYLLXWGO-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN O=C(CCCc1cccs1)NCc1cnc[nH]1 ZINC000088759287 359976724 /nfs/dbraw/zinc/97/67/24/359976724.db2.gz NMIMEAWBPFEKLE-UHFFFAOYSA-N 0 1 249.339 2.110 20 0 BEADMN CC(C)[N@@H+](CC[C@H]1CCC[C@@H](C)C1)CC(N)=O ZINC000089101518 359989340 /nfs/dbraw/zinc/98/93/40/359989340.db2.gz GQQCQNYCKUNVQA-CHWSQXEVSA-N 0 1 240.391 2.399 20 0 BEADMN CC[C@@H](NCc1ncn(C)n1)C1CCCCC1 ZINC000090969489 360094981 /nfs/dbraw/zinc/09/49/81/360094981.db2.gz RNUVRNMARMVXQM-GFCCVEGCSA-N 0 1 236.363 2.264 20 0 BEADMN CC[C@H]1C[C@@H](C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090970026 360095174 /nfs/dbraw/zinc/09/51/74/360095174.db2.gz QEMNTCWJRSMAGQ-SRVKXCTJSA-N 0 1 236.363 2.120 20 0 BEADMN c1cc(CNCc2cccc3c2OCO3)c[nH]1 ZINC000090994776 360098453 /nfs/dbraw/zinc/09/84/53/360098453.db2.gz SZEFUQQSDLYSQK-UHFFFAOYSA-N 0 1 230.267 2.033 20 0 BEADMN CCc1nn(C)cc1Nc1nc(C2CC2)ns1 ZINC000091026376 360099539 /nfs/dbraw/zinc/09/95/39/360099539.db2.gz CCNYOMWXNAAOLJ-UHFFFAOYSA-N 0 1 249.343 2.455 20 0 BEADMN CCOC[C@@H](C)NCc1cn2cccc(C)c2n1 ZINC000090045357 360055466 /nfs/dbraw/zinc/05/54/66/360055466.db2.gz CYUHQJYSBNUSNO-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN CCn1cncc1CNCc1ccc(F)cc1 ZINC000090169804 360060520 /nfs/dbraw/zinc/06/05/20/360060520.db2.gz VJIJOMMUXVZYOQ-UHFFFAOYSA-N 0 1 233.290 2.332 20 0 BEADMN Cc1cc(CNC[C@H]2Cc3ccccc3O2)no1 ZINC000090874485 360091222 /nfs/dbraw/zinc/09/12/22/360091222.db2.gz VWVNDIZSAYAHJB-CYBMUJFWSA-N 0 1 244.294 2.076 20 0 BEADMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnc[nH]2)C12CCC2 ZINC000092040886 360147681 /nfs/dbraw/zinc/14/76/81/360147681.db2.gz SJCQEVKPFDQNBR-QWHCGFSZSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]cn2)C12CCC2 ZINC000092040886 360147685 /nfs/dbraw/zinc/14/76/85/360147685.db2.gz SJCQEVKPFDQNBR-QWHCGFSZSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)Cc2c[nH]cn2)C12CCC2 ZINC000092040886 360147691 /nfs/dbraw/zinc/14/76/91/360147691.db2.gz SJCQEVKPFDQNBR-QWHCGFSZSA-N 0 1 249.358 2.189 20 0 BEADMN CC(C)(F)CNCc1cnc2ccccn12 ZINC000631188616 360130115 /nfs/dbraw/zinc/13/01/15/360130115.db2.gz DQYBNUANNLJQKT-UHFFFAOYSA-N 0 1 221.279 2.172 20 0 BEADMN Cc1nn(C)cc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000092540269 360177311 /nfs/dbraw/zinc/17/73/11/360177311.db2.gz HBHFDHFHIJJYMM-AOOOYVTPSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@H]1CN(Cc2ccc(CO)o2)C[C@H](C)S1 ZINC000092540877 360178043 /nfs/dbraw/zinc/17/80/43/360178043.db2.gz FKKAMLKWRNJBHX-UWVGGRQHSA-N 0 1 241.356 2.098 20 0 BEADMN c1nc(CN2CC[C@H](Nc3ccccc3)C2)c[nH]1 ZINC000092757944 360194658 /nfs/dbraw/zinc/19/46/58/360194658.db2.gz WXZUUJXUUIAZFM-ZDUSSCGKSA-N 0 1 242.326 2.096 20 0 BEADMN CCCCOCCCNCc1nccs1 ZINC000122199962 360210066 /nfs/dbraw/zinc/21/00/66/360210066.db2.gz YDQNJWPLSYZIFB-UHFFFAOYSA-N 0 1 228.361 2.440 20 0 BEADMN COc1ccccc1CCN(C)Cc1c[nH]cn1 ZINC000093105193 360219767 /nfs/dbraw/zinc/21/97/67/360219767.db2.gz JMLSIGZHMVLLBW-UHFFFAOYSA-N 0 1 245.326 2.093 20 0 BEADMN CC1(C)CCN(Cc2cc(C(N)=O)cs2)C1 ZINC000093339945 360234626 /nfs/dbraw/zinc/23/46/26/360234626.db2.gz CIJUVPDTSDXCGI-UHFFFAOYSA-N 0 1 238.356 2.079 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000093343083 360235508 /nfs/dbraw/zinc/23/55/08/360235508.db2.gz GFJFBYBTBVQZOR-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN CC1CCC(NC(=O)c2ccc(CN)o2)CC1 ZINC000094564264 360312582 /nfs/dbraw/zinc/31/25/82/360312582.db2.gz DZEKUADUEZGWSF-UHFFFAOYSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1cccn2c(CNCC(C)(C)F)cnc12 ZINC000631189290 360372977 /nfs/dbraw/zinc/37/29/77/360372977.db2.gz MFRCZPXKCAFSMS-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN C/C(=C/C[N@@H+]1C[C@@H](C)CC1(C)C)C(=O)[O-] ZINC000306553160 360426701 /nfs/dbraw/zinc/42/67/01/360426701.db2.gz KTXXLSNYBKZZFS-QFQXNISHSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1cccc2ncc(CNCC(C)(C)F)n21 ZINC000631189437 360434692 /nfs/dbraw/zinc/43/46/92/360434692.db2.gz PPUSMYIKXABPCT-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN C[C@@H](N[C@@H]1CCOC(C)(C)C1)C(F)F ZINC000228519630 360478500 /nfs/dbraw/zinc/47/85/00/360478500.db2.gz PSVKHVVBIUAIAM-HTQZYQBOSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@@H](N[C@H]1CCOC(C)(C)C1)C(F)F ZINC000228519640 360479237 /nfs/dbraw/zinc/47/92/37/360479237.db2.gz PSVKHVVBIUAIAM-SFYZADRCSA-N 0 1 207.264 2.187 20 0 BEADMN CC(C)Cn1nccc1CNCC(C)(C)F ZINC000631189888 360487181 /nfs/dbraw/zinc/48/71/81/360487181.db2.gz XDCXMQVIEFHKGV-UHFFFAOYSA-N 0 1 227.327 2.377 20 0 BEADMN CCC(F)(F)CNC(=O)c1ccc(F)cc1O ZINC000628842813 360694652 /nfs/dbraw/zinc/69/46/52/360694652.db2.gz QOKBEISRBHKWMK-UHFFFAOYSA-N 0 1 247.216 2.306 20 0 BEADMN CC(C)c1cc(C(=O)N(C2CC2)C2CC2)n[nH]1 ZINC000628817686 360672271 /nfs/dbraw/zinc/67/22/71/360672271.db2.gz MXASZDJBVMRNOK-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN CCC[C@H](CCO)NCc1ncc(Cl)s1 ZINC000631198970 360760675 /nfs/dbraw/zinc/76/06/75/360760675.db2.gz NIBRBZNJAZTVEH-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)CCCF ZINC000613198355 360763901 /nfs/dbraw/zinc/76/39/01/360763901.db2.gz WIKUWOAEEVGYNZ-UHFFFAOYSA-N 0 1 235.209 2.344 20 0 BEADMN C[C@H](CN(C)C(=O)CN(C)C)C1CCCCC1 ZINC000628982318 360780685 /nfs/dbraw/zinc/78/06/85/360780685.db2.gz HWMYSRORJOMTPD-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1cc(C(=O)NCc2cn[nH]c2C)c(C)s1 ZINC000037990448 360914531 /nfs/dbraw/zinc/91/45/31/360914531.db2.gz AJMMWQWVZVTVFQ-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN CCC[C@H](C)CCC[N@@H+](C)CC(=O)[O-] ZINC000629360052 361005190 /nfs/dbraw/zinc/00/51/90/361005190.db2.gz HFCSALBUULAXPP-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@@H]1C ZINC000629360222 361007255 /nfs/dbraw/zinc/00/72/55/361007255.db2.gz NIUOBTZHOCFYML-QWRGUYRKSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@H]1C ZINC000629360221 361007466 /nfs/dbraw/zinc/00/74/66/361007466.db2.gz NIUOBTZHOCFYML-MNOVXSKESA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000629361285 361010086 /nfs/dbraw/zinc/01/00/86/361010086.db2.gz FDDXTNVFAOOCHE-IYKVGLELSA-N 0 1 225.332 2.216 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000629361685 361010533 /nfs/dbraw/zinc/01/05/33/361010533.db2.gz KTEXVENMLVLGTQ-PWSUYJOCSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])C2CC2)C[C@H](C)C1(F)F ZINC000629365099 361019039 /nfs/dbraw/zinc/01/90/39/361019039.db2.gz STXXIWJAJJCEDQ-XKSSXDPKSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364720 361019239 /nfs/dbraw/zinc/01/92/39/361019239.db2.gz QSTNCEJWMABCHZ-PWSUYJOCSA-N 0 1 245.322 2.399 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CC2)[C@H]2CCC[C@H]21 ZINC000629372361 361022210 /nfs/dbraw/zinc/02/22/10/361022210.db2.gz BTAVQHSYQCBADW-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1Cc2cccc(OC)c2C1 ZINC000629372794 361022309 /nfs/dbraw/zinc/02/23/09/361022309.db2.gz HTBQIHAPKHCPRX-GFCCVEGCSA-N 0 1 249.310 2.264 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CC2)[C@H]2CCC[C@@H]21 ZINC000629372360 361022744 /nfs/dbraw/zinc/02/27/44/361022744.db2.gz BTAVQHSYQCBADW-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN CC(C)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629374195 361023739 /nfs/dbraw/zinc/02/37/39/361023739.db2.gz UBMICNWDNGVNTC-SRVKXCTJSA-N 0 1 225.332 2.218 20 0 BEADMN C/C=C\C[C@@H]1CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000629375576 361025652 /nfs/dbraw/zinc/02/56/52/361025652.db2.gz JJZGWUUDQGQKDH-ANDSXOESSA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000065962510 361084367 /nfs/dbraw/zinc/08/43/67/361084367.db2.gz QGFONIVUVJSCCR-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](CN(C)[C@@H](C)c1nncn1C)C(C)(C)C ZINC000640347911 361067943 /nfs/dbraw/zinc/06/79/43/361067943.db2.gz LSGXNODBOAJWQA-QWRGUYRKSA-N 0 1 238.379 2.490 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC1CC(C)(C)C1 ZINC000629492057 361095863 /nfs/dbraw/zinc/09/58/63/361095863.db2.gz YXSZYQRSCVJHMB-MWLCHTKSSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)c1nc(CSc2cccnn2)n[nH]1 ZINC000578987978 366686651 /nfs/dbraw/zinc/68/66/51/366686651.db2.gz WRIHOFJEFBCXHQ-UHFFFAOYSA-N 0 1 235.316 2.010 20 0 BEADMN COC[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424196479 200884802 /nfs/dbraw/zinc/88/48/02/200884802.db2.gz MVPOULBPSPRRQJ-DRZSPHRISA-N 0 1 223.291 2.248 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000640380131 361189242 /nfs/dbraw/zinc/18/92/42/361189242.db2.gz NRWILKGJNTYBPV-RKDXNWHRSA-N 0 1 244.298 2.333 20 0 BEADMN CCC[C@H](C)C(=O)Nc1cccc2[nH]nnc21 ZINC000640380959 361191635 /nfs/dbraw/zinc/19/16/35/361191635.db2.gz ZYGPNQFHNAEVJL-QMMMGPOBSA-N 0 1 232.287 2.333 20 0 BEADMN Cc1nc([C@@H](C)NCC2(O)CCC2)cs1 ZINC000158857169 361212315 /nfs/dbraw/zinc/21/23/15/361212315.db2.gz NTUFRZBWZGXLEF-MRVPVSSYSA-N 0 1 226.345 2.017 20 0 BEADMN CC[C@@H](CCO)N[C@@H](C)c1csc(C)n1 ZINC000158862478 361213862 /nfs/dbraw/zinc/21/38/62/361213862.db2.gz CHHPGDXCGFGFJT-WPRPVWTQSA-N 0 1 228.361 2.263 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000249138800 361283680 /nfs/dbraw/zinc/28/36/80/361283680.db2.gz XKCMBQURZZUBCV-STQMWFEESA-N 0 1 239.359 2.474 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(C)C[C@H]1CC ZINC000575033565 361301975 /nfs/dbraw/zinc/30/19/75/361301975.db2.gz UMQGZQWTYLASOZ-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000579128921 366720402 /nfs/dbraw/zinc/72/04/02/366720402.db2.gz COMCLLIGIYLUEP-CYZMBNFOSA-N 0 1 233.311 2.195 20 0 BEADMN CC1(C)CN(CC2(F)CC2)[C@H]1[C@@H]1CCCO1 ZINC000579180829 366723290 /nfs/dbraw/zinc/72/32/90/366723290.db2.gz FAABICHLVAARMX-QWRGUYRKSA-N 0 1 227.323 2.378 20 0 BEADMN C[C@@H]1SCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC000579016025 366697133 /nfs/dbraw/zinc/69/71/33/366697133.db2.gz LJEJPLVPWLXQMX-UWVGGRQHSA-N 0 1 243.372 2.067 20 0 BEADMN COC1(C)CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428350824 201011042 /nfs/dbraw/zinc/01/10/42/201011042.db2.gz WJPRSYGZDOTTRB-GFCCVEGCSA-N 0 1 249.358 2.347 20 0 BEADMN CC1(CNCc2nccc(C(F)(F)F)n2)CC1 ZINC000579207755 366734190 /nfs/dbraw/zinc/73/41/90/366734190.db2.gz SGXNCKZMIZGVFF-UHFFFAOYSA-N 0 1 245.248 2.385 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@@H]2CCCCO2)cn1 ZINC000428456068 201019140 /nfs/dbraw/zinc/01/91/40/201019140.db2.gz GYJJMLGOTQNIBG-OLZOCXBDSA-N 0 1 249.358 2.347 20 0 BEADMN CCN(Cc1nnc(C)[nH]1)C1CCCCC1 ZINC000428454330 201019516 /nfs/dbraw/zinc/01/95/16/201019516.db2.gz AEKUDHWSLXEDKZ-UHFFFAOYSA-N 0 1 222.336 2.268 20 0 BEADMN CCN1[C@H](C)CN(C(=O)CC(C)(C)C)C[C@@H]1C ZINC000640604724 361327818 /nfs/dbraw/zinc/32/78/18/361327818.db2.gz IKXCFCYJZOQKIW-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nc2cccc(C(=O)NCCCCF)c2[nH]1 ZINC000428475664 201023405 /nfs/dbraw/zinc/02/34/05/201023405.db2.gz OYLCNEZWABTJGO-UHFFFAOYSA-N 0 1 249.289 2.351 20 0 BEADMN CC(C)N(Cc1cn(C(C)C)nn1)C(C)C ZINC000428312299 201008353 /nfs/dbraw/zinc/00/83/53/201008353.db2.gz SZKRDXNDOYDYOE-UHFFFAOYSA-N 0 1 224.352 2.478 20 0 BEADMN O[C@H]1CCCC[C@H]1CCCNCc1cocn1 ZINC000428873869 201048226 /nfs/dbraw/zinc/04/82/26/201048226.db2.gz XGCAHVBFXQDRBQ-AAEUAGOBSA-N 0 1 238.331 2.096 20 0 BEADMN CC(C)CCCN1CCN(C(=O)C(C)C)CC1 ZINC000428942458 201049652 /nfs/dbraw/zinc/04/96/52/201049652.db2.gz ZDJNBYYSAXVEAM-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1nnc(CN(CC2CC2)CC2CCC2)[nH]1 ZINC000428940011 201049764 /nfs/dbraw/zinc/04/97/64/201049764.db2.gz OOBDFBYSGPKQNO-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN CC(C)c1cc(=O)n(CCc2ccccc2)[nH]1 ZINC000614189032 363749892 /nfs/dbraw/zinc/74/98/92/363749892.db2.gz JQRGMMQMMJVENV-UHFFFAOYSA-N 0 1 230.311 2.473 20 0 BEADMN CCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640619210 361333965 /nfs/dbraw/zinc/33/39/65/361333965.db2.gz GYSACFVHEZPQKV-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000527392107 370689055 /nfs/dbraw/zinc/68/90/55/370689055.db2.gz RUCDKHVIXKGNOP-UHFFFAOYSA-N 0 1 244.294 2.001 20 0 BEADMN CCN(Cc1oc(C(C)C)nc1C)C[C@H](C)O ZINC000428965524 201053182 /nfs/dbraw/zinc/05/31/82/201053182.db2.gz SWBXWXWHIDVDNT-JTQLQIEISA-N 0 1 240.347 2.309 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)C1(CO)CC1 ZINC000428945076 201053303 /nfs/dbraw/zinc/05/33/03/201053303.db2.gz WLQWYJMASDLWNQ-UHFFFAOYSA-N 0 1 238.331 2.063 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])CC1=CCCCC1 ZINC000579251079 366746876 /nfs/dbraw/zinc/74/68/76/366746876.db2.gz XTTRHYDAVYDHBL-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN CCOc1cccc(CN2CC[C@@H]2CC)n1 ZINC000429277801 201090378 /nfs/dbraw/zinc/09/03/78/201090378.db2.gz HLHLZKGSZWSMGA-LBPRGKRZSA-N 0 1 220.316 2.465 20 0 BEADMN CCN(CC(=O)N(C)[C@H]1CC[C@@H](C)C1)C1CC1 ZINC000429251458 201082586 /nfs/dbraw/zinc/08/25/86/201082586.db2.gz BHMLJPDWWNXQIS-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN Cn1ccnc1[C@@H](NC1CC(F)(F)C1)C1CC1 ZINC000429460414 201110065 /nfs/dbraw/zinc/11/00/65/201110065.db2.gz BYQALWYMKSQASF-JTQLQIEISA-N 0 1 241.285 2.259 20 0 BEADMN C[C@@H]1CCC[C@H](CCN2CCc3nn[nH]c3C2)C1 ZINC000429307239 201099414 /nfs/dbraw/zinc/09/94/14/201099414.db2.gz NZNMICLKBJYKGO-VXGBXAGGSA-N 0 1 248.374 2.379 20 0 BEADMN CCC[C@@H]1C(=O)NCCN1CCCC(C)C ZINC000429338864 201102446 /nfs/dbraw/zinc/10/24/46/201102446.db2.gz AIJKBHJICFKICT-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429378887 201103761 /nfs/dbraw/zinc/10/37/61/201103761.db2.gz IUOSFYUVQZEDGF-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CCCN1CC[C@H](C)[S@](=O)CC1 ZINC000429591928 201122654 /nfs/dbraw/zinc/12/26/54/201122654.db2.gz SFPCSALEVRWCEB-SWLSCSKDSA-N 0 1 231.405 2.266 20 0 BEADMN Cc1cc(CN(C)[C@H]2CC[C@H](C)C2)nn1C ZINC000429566278 201113709 /nfs/dbraw/zinc/11/37/09/201113709.db2.gz JKJSDHKGOYJTAS-GWCFXTLKSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cc(CN(C)[C@H]2CC[C@@H](C)C2)nn1C ZINC000429566281 201113739 /nfs/dbraw/zinc/11/37/39/201113739.db2.gz JKJSDHKGOYJTAS-MFKMUULPSA-N 0 1 221.348 2.349 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)C[C@H]1C[C@H]1C ZINC000430190562 201150769 /nfs/dbraw/zinc/15/07/69/201150769.db2.gz HQVYCOIOSVUDHB-UTUOFQBUSA-N 0 1 227.348 2.162 20 0 BEADMN NC1(c2nc(-c3ccccc3)no2)CCCC1 ZINC000041032666 181335489 /nfs/dbraw/zinc/33/54/89/181335489.db2.gz OWFUJPRLDACYDZ-UHFFFAOYSA-N 0 1 229.283 2.465 20 0 BEADMN Cc1cc(-c2nc(=O)c3sccc3[nH]2)ccn1 ZINC000432506476 201162058 /nfs/dbraw/zinc/16/20/58/201162058.db2.gz UOKPHTYAOXZDAH-UHFFFAOYSA-N 0 1 243.291 2.355 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1ccc(Cl)o1 ZINC000163439547 361480165 /nfs/dbraw/zinc/48/01/65/361480165.db2.gz ZJYROHLLIZMXHW-RKDXNWHRSA-N 0 1 229.707 2.182 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)C[C@@H]1C[C@@H]1C ZINC000430190559 201151558 /nfs/dbraw/zinc/15/15/58/201151558.db2.gz HQVYCOIOSVUDHB-SRVKXCTJSA-N 0 1 227.348 2.162 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)[C@H](C)N(C)C ZINC000083004376 491158507 /nfs/dbraw/zinc/15/85/07/491158507.db2.gz GWSWSDWGSXLNQP-NSHDSACASA-N 0 1 228.380 2.125 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@@H](C)C2)nn1C ZINC000430270795 201156943 /nfs/dbraw/zinc/15/69/43/201156943.db2.gz VTVHNRWMHLYDKY-SNVBAGLBSA-N 0 1 219.332 2.127 20 0 BEADMN CS[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000448545448 201197284 /nfs/dbraw/zinc/19/72/84/201197284.db2.gz AULYUEJVDNLAJM-NSHDSACASA-N 0 1 217.378 2.096 20 0 BEADMN CCO[C@@H](c1nc([C@@H]2CCCN2)no1)C(C)C ZINC000629675355 361598470 /nfs/dbraw/zinc/59/84/70/361598470.db2.gz QPXPINFKLFBJTH-VHSXEESVSA-N 0 1 239.319 2.228 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1ncnn1C(C)C ZINC000434544820 201224948 /nfs/dbraw/zinc/22/49/48/201224948.db2.gz OYHXHZGFECQPDX-LBPRGKRZSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1ncnn1C(C)C ZINC000434545302 201225436 /nfs/dbraw/zinc/22/54/36/201225436.db2.gz VHTDKIFDNBDIMR-VXGBXAGGSA-N 0 1 236.363 2.479 20 0 BEADMN c1cc(-c2ccncc2)cc([C@H]2COCCN2)c1 ZINC000629691367 361618667 /nfs/dbraw/zinc/61/86/67/361618667.db2.gz WRROZNOKPQMGFA-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC1CCCC1 ZINC000070618135 361638004 /nfs/dbraw/zinc/63/80/04/361638004.db2.gz LEYBDKHDLKKHPF-LBPRGKRZSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](SCc1nn[nH]n1)c1ccc(F)cc1 ZINC000435231628 201254268 /nfs/dbraw/zinc/25/42/68/201254268.db2.gz XUJOLQYFWMXFEZ-ZETCQYMHSA-N 0 1 238.291 2.333 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000066646387 361645418 /nfs/dbraw/zinc/64/54/18/361645418.db2.gz GCATXDKBXVMYFV-VIFPVBQESA-N 0 1 223.320 2.404 20 0 BEADMN COc1ccc(CNCc2ccc(C)nc2)cn1 ZINC000155384735 201328931 /nfs/dbraw/zinc/32/89/31/201328931.db2.gz LDSLXMLRQBMILU-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN C[C@@H](F)CCNC(=O)c1ccc(F)cc1O ZINC000436545113 201330520 /nfs/dbraw/zinc/33/05/20/201330520.db2.gz MMDXWYOAWUQUGS-SSDOTTSWSA-N 0 1 229.226 2.009 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000436260824 201317044 /nfs/dbraw/zinc/31/70/44/201317044.db2.gz NFAFKVSQMCHNJZ-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN CC1=CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000436266081 201317425 /nfs/dbraw/zinc/31/74/25/201317425.db2.gz ZGGVNUKZPFUOPG-KRWDZBQOSA-N 0 1 249.379 2.446 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1CCC=C(C)C1 ZINC000436273336 201318604 /nfs/dbraw/zinc/31/86/04/201318604.db2.gz ULCRZWWXFLQFLQ-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN Cc1cnc(C(=O)Nc2ccc(O)cc2)c(O)c1 ZINC000436858236 201339398 /nfs/dbraw/zinc/33/93/98/201339398.db2.gz MRKKMGQCZUUQDH-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)Cc2ncccn2)C1 ZINC000191942461 363886710 /nfs/dbraw/zinc/88/67/10/363886710.db2.gz AVBICNHAMVJDEO-NEPJUHHUSA-N 0 1 219.332 2.487 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)CC(C)(C)C)c1 ZINC000092762156 541303400 /nfs/dbraw/zinc/30/34/00/541303400.db2.gz JAUZSGJYQYFJJR-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN NCC(=O)Nc1ccccc1CCC(F)(F)F ZINC000237988319 181355197 /nfs/dbraw/zinc/35/51/97/181355197.db2.gz MKQUKVXGGYLHBJ-UHFFFAOYSA-N 0 1 246.232 2.079 20 0 BEADMN CCCN(C)CC(=O)Nc1nc(C)ccc1CC ZINC000622139956 370732022 /nfs/dbraw/zinc/73/20/22/370732022.db2.gz DZEDMSJIQSEGDI-UHFFFAOYSA-N 0 1 249.358 2.233 20 0 BEADMN Cc1cc(Cn2ccnc2CN)c(C)s1 ZINC000630583485 364285912 /nfs/dbraw/zinc/28/59/12/364285912.db2.gz FSVBZKHAVOVLMW-UHFFFAOYSA-N 0 1 221.329 2.068 20 0 BEADMN C[C@H]1CCCC[C@@H]1Cn1ccnc1CN ZINC000630584101 364287561 /nfs/dbraw/zinc/28/75/61/364287561.db2.gz QHZOFIDNBWBPLZ-WDEREUQCSA-N 0 1 207.321 2.168 20 0 BEADMN NCc1nccn1CCCCC(F)(F)F ZINC000630584295 364289775 /nfs/dbraw/zinc/28/97/75/364289775.db2.gz VAGSYOGAWVLTRL-UHFFFAOYSA-N 0 1 221.226 2.074 20 0 BEADMN NCc1nccn1Cc1cccc(C(F)F)c1 ZINC000630584449 364290435 /nfs/dbraw/zinc/29/04/35/364290435.db2.gz XVSKNOCULIDTMJ-UHFFFAOYSA-N 0 1 237.253 2.328 20 0 BEADMN CC[C@H](CC(F)F)Cn1ccnc1CN ZINC000630584455 364290749 /nfs/dbraw/zinc/29/07/49/364290749.db2.gz YCQIGTQKQBWMIC-MRVPVSSYSA-N 0 1 217.263 2.023 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2ccccc2F)nn1 ZINC000630614216 364345960 /nfs/dbraw/zinc/34/59/60/364345960.db2.gz QLGDAWJCECNCAI-ZJUUUORDSA-N 0 1 248.305 2.307 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000181718986 366841794 /nfs/dbraw/zinc/84/17/94/366841794.db2.gz FGMNRDGZAGCJEZ-QWRGUYRKSA-N 0 1 234.347 2.132 20 0 BEADMN Cc1cccc(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000579495385 366833426 /nfs/dbraw/zinc/83/34/26/366833426.db2.gz ZFKSUTCXCMDWTC-UHFFFAOYSA-N 0 1 233.311 2.434 20 0 BEADMN CC[C@H](COC)NCc1cc(C(C)C)no1 ZINC000167738247 541361993 /nfs/dbraw/zinc/36/19/93/541361993.db2.gz FPODJRNTSABUJQ-SNVBAGLBSA-N 0 1 226.320 2.313 20 0 BEADMN c1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)co1 ZINC000182063451 366863569 /nfs/dbraw/zinc/86/35/69/366863569.db2.gz QYZJDRWIUVCCIY-UPJWGTAASA-N 0 1 248.326 2.112 20 0 BEADMN O[C@H]1CCC[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000631742559 364549974 /nfs/dbraw/zinc/54/99/74/364549974.db2.gz YQGDMBPONVVXMM-AEJSXWLSSA-N 0 1 238.356 2.024 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@H]1CC[C@H](C)O1 ZINC000453407768 202763839 /nfs/dbraw/zinc/76/38/39/202763839.db2.gz MNZSDESPMMWVHT-SDDRHHMPSA-N 0 1 237.347 2.121 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@H]1CC[C@@H](C)O1 ZINC000453407767 202765728 /nfs/dbraw/zinc/76/57/28/202765728.db2.gz MNZSDESPMMWVHT-GRYCIOLGSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@@H](NCc1ccco1)[C@H](O)C(F)(F)F ZINC000270860292 364745719 /nfs/dbraw/zinc/74/57/19/364745719.db2.gz CTVWASBNPONDDJ-BDAKNGLRSA-N 0 1 237.221 2.071 20 0 BEADMN CSCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000167578840 364797035 /nfs/dbraw/zinc/79/70/35/364797035.db2.gz BLTZMZCOJHOJBN-UHFFFAOYSA-N 0 1 243.328 2.081 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)s1 ZINC000295646580 364780005 /nfs/dbraw/zinc/78/00/05/364780005.db2.gz IOJHIAJBKDXECD-FXPVBKGRSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1nc(CNCc2cc(F)ccc2C)n[nH]1 ZINC000296093317 364781571 /nfs/dbraw/zinc/78/15/71/364781571.db2.gz RJMRDRMRYCDHIK-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN CCc1nc(CN[C@@H]2CCc3ccccc32)n[nH]1 ZINC000296067188 364781839 /nfs/dbraw/zinc/78/18/39/364781839.db2.gz PPCYAACWWYWXJO-GFCCVEGCSA-N 0 1 242.326 2.144 20 0 BEADMN CCN(C)C(=O)[C@@H](C)NCc1csc(C)c1 ZINC000297077288 364788747 /nfs/dbraw/zinc/78/87/47/364788747.db2.gz ZWMNQKPYHBMODF-SNVBAGLBSA-N 0 1 240.372 2.013 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573542136 364855880 /nfs/dbraw/zinc/85/58/80/364855880.db2.gz WDPYJVYABOLPQU-ADEWGFFLSA-N 0 1 247.342 2.023 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1[C@@H]1C=CCCC1 ZINC000299999773 364840156 /nfs/dbraw/zinc/84/01/56/364840156.db2.gz OPNZHIIIWQLQQZ-LOWDOPEQSA-N 0 1 235.327 2.280 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000573855440 364932749 /nfs/dbraw/zinc/93/27/49/364932749.db2.gz HGEMVFMAFXDFDX-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000573871713 364936316 /nfs/dbraw/zinc/93/63/16/364936316.db2.gz UNKUBONCIYCAGR-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN Cc1ccc(O)c(CNC2(CF)CCC2)n1 ZINC000574038918 364972556 /nfs/dbraw/zinc/97/25/56/364972556.db2.gz AROLTLNBGBQGRR-UHFFFAOYSA-N 0 1 224.279 2.077 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000574039655 364974367 /nfs/dbraw/zinc/97/43/67/364974367.db2.gz NSLLCLQXUVPDMB-NXEZZACHSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1nc2cc(N[C@H](C)[C@@H](C)O)ccc2n1C ZINC000574192771 365008365 /nfs/dbraw/zinc/00/83/65/365008365.db2.gz LBSOCQMCZGQPRV-RKDXNWHRSA-N 0 1 233.315 2.063 20 0 BEADMN CCc1ccc(CC[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000574406811 365056136 /nfs/dbraw/zinc/05/61/36/365056136.db2.gz VLZCCDVOTOAQEL-UHFFFAOYSA-N 0 1 247.338 2.341 20 0 BEADMN C[C@H](F)CC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000574533140 365086945 /nfs/dbraw/zinc/08/69/45/365086945.db2.gz CHACXTCPXZGOBA-VIFPVBQESA-N 0 1 229.295 2.206 20 0 BEADMN CO[C@@H]1CCCN(Cc2c(C)nsc2C)C1 ZINC000574592615 365097167 /nfs/dbraw/zinc/09/71/67/365097167.db2.gz UCUIBDGPHDPALW-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN CCN(C(=O)[C@@H](C)N1CC(C)C1)[C@H](C)C(C)C ZINC000574582980 365097236 /nfs/dbraw/zinc/09/72/36/365097236.db2.gz PLKGLMIKCNNJBB-CHWSQXEVSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CCC)C1 ZINC000574645140 365111700 /nfs/dbraw/zinc/11/17/00/365111700.db2.gz SMYXMLQIUTWZQP-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](CCC)C1 ZINC000574645140 365111705 /nfs/dbraw/zinc/11/17/05/365111705.db2.gz SMYXMLQIUTWZQP-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NCc1ccn(C)n1 ZINC000574645883 365112003 /nfs/dbraw/zinc/11/20/03/365112003.db2.gz UIHZBUQUZUWBAU-CHWSQXEVSA-N 0 1 221.348 2.334 20 0 BEADMN Cc1nsc(C)c1CN1C[C@@H]2C[C@H]1CS2 ZINC000574649220 365113033 /nfs/dbraw/zinc/11/30/33/365113033.db2.gz CPTSWUGIEKKWFH-UWVGGRQHSA-N 0 1 240.397 2.450 20 0 BEADMN CC[C@]1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000574697006 365125144 /nfs/dbraw/zinc/12/51/44/365125144.db2.gz GIVRIUPJNZKJTQ-GXTWGEPZSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1ccc(CNCC2(F)CC2)nc1C ZINC000574735874 365131019 /nfs/dbraw/zinc/13/10/19/365131019.db2.gz LISJAJGIIWCNTB-UHFFFAOYSA-N 0 1 208.280 2.290 20 0 BEADMN CC1CC(CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000622241878 370792246 /nfs/dbraw/zinc/79/22/46/370792246.db2.gz YBYYCXVTUUZTOA-UHFFFAOYSA-N 0 1 247.342 2.064 20 0 BEADMN COC(=O)c1cccc(CN(C)[C@@H]2CC2(C)C)n1 ZINC000574860418 365160264 /nfs/dbraw/zinc/16/02/64/365160264.db2.gz ISQYKLRBXXIJEZ-GFCCVEGCSA-N 0 1 248.326 2.099 20 0 BEADMN FC(F)OC[C@H]1CCN(CC2(F)CC2)C1 ZINC000575027290 365172944 /nfs/dbraw/zinc/17/29/44/365172944.db2.gz YNEQGZOKKAIFHM-QMMMGPOBSA-N 0 1 223.238 2.050 20 0 BEADMN CC1CC(CNC(=O)c2ccc(F)cc2O)C1 ZINC000622238905 370787243 /nfs/dbraw/zinc/78/72/43/370787243.db2.gz HYNDUBRGPMFFET-UHFFFAOYSA-N 0 1 237.274 2.307 20 0 BEADMN NCc1cc(C(=O)N(CC2CC2)CC2CC2)co1 ZINC000444124327 193035499 /nfs/dbraw/zinc/03/54/99/193035499.db2.gz DMVRAROPAGVQSY-UHFFFAOYSA-N 0 1 248.326 2.001 20 0 BEADMN CCCN(CC1CCCCC1)C(=O)CN(C)C ZINC000171391269 365196354 /nfs/dbraw/zinc/19/63/54/365196354.db2.gz VYUZZVQMHXXVID-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1ncccn1 ZINC000192015825 365258003 /nfs/dbraw/zinc/25/80/03/365258003.db2.gz PWUDSUMDOKJNIQ-PHIMTYICSA-N 0 1 205.305 2.240 20 0 BEADMN CCc1nc(NC(=O)c2cc(C)ccc2C)n[nH]1 ZINC000182290541 366882317 /nfs/dbraw/zinc/88/23/17/366882317.db2.gz VKXYUAISSDSXAC-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(C)ccc2C)n1 ZINC000182290541 366882325 /nfs/dbraw/zinc/88/23/25/366882325.db2.gz VKXYUAISSDSXAC-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575802088 365368508 /nfs/dbraw/zinc/36/85/08/365368508.db2.gz CJFUWUWSSWLWQU-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN O=C(NCc1cnc[nH]1)c1csc(Cl)c1 ZINC000336531782 365340407 /nfs/dbraw/zinc/34/04/07/365340407.db2.gz CTEONXFGPYPOGH-UHFFFAOYSA-N 0 1 241.703 2.055 20 0 BEADMN C[C@@H]1CCCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000182274939 366881118 /nfs/dbraw/zinc/88/11/18/366881118.db2.gz YUKUJQFZESKCDF-SNVBAGLBSA-N 0 1 234.347 2.304 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000172873931 365385342 /nfs/dbraw/zinc/38/53/42/365385342.db2.gz WVUUVZVEQBCRAE-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC1(C)C ZINC000575933396 365420285 /nfs/dbraw/zinc/42/02/85/365420285.db2.gz LKCZXBQJEZOGPS-JQWIXIFHSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC1(C)C ZINC000575933397 365420359 /nfs/dbraw/zinc/42/03/59/365420359.db2.gz LKCZXBQJEZOGPS-PWSUYJOCSA-N 0 1 249.358 2.283 20 0 BEADMN CN(C(=O)c1cccc2c[nH]nc21)C1CCC1 ZINC000172774191 365379558 /nfs/dbraw/zinc/37/95/58/365379558.db2.gz OBNKTVWKGVLLKX-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN Cc1nc(C)c(C[N@H+](C)[C@@H](C)CC(=O)[O-])s1 ZINC000576054227 365467317 /nfs/dbraw/zinc/46/73/17/365467317.db2.gz UWFTTZZSTCZGIC-ZETCQYMHSA-N 0 1 242.344 2.055 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1n[nH]c(C2CC2)n1 ZINC000182427948 366901376 /nfs/dbraw/zinc/90/13/76/366901376.db2.gz ATCKISASUBRQCL-VHSXEESVSA-N 0 1 234.347 2.303 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCCC1(F)F)C1CCC1 ZINC000576173799 365510603 /nfs/dbraw/zinc/51/06/03/365510603.db2.gz APISRDMRGHOBOB-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc(CC)s1 ZINC000579665933 366943667 /nfs/dbraw/zinc/94/36/67/366943667.db2.gz DYHJIPNTMYIKJA-UHFFFAOYSA-N 0 1 240.372 2.008 20 0 BEADMN CCOC(=O)C[C@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000182644380 366926164 /nfs/dbraw/zinc/92/61/64/366926164.db2.gz IGDKYUOGEBOWCU-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CCCC[C@H](COC)N[C@@H](C)c1nccn1C ZINC000182995054 366965066 /nfs/dbraw/zinc/96/50/66/366965066.db2.gz ROHAGGGRPXMLDU-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@H]1CCC[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000183085125 366976028 /nfs/dbraw/zinc/97/60/28/366976028.db2.gz XRRYRWZWILODSO-NWDGAFQWSA-N 0 1 236.363 2.453 20 0 BEADMN CO[C@H](CN[C@H](C)c1nccn1C)C(C)(C)C ZINC000183057247 366970787 /nfs/dbraw/zinc/97/07/87/366970787.db2.gz XTWNZZYGHGGXPP-GHMZBOCLSA-N 0 1 239.363 2.132 20 0 BEADMN O=C([O-])C[N@@H+](CCc1ccccc1)C1CCC1 ZINC000579733140 366998565 /nfs/dbraw/zinc/99/85/65/366998565.db2.gz GAUFAYXPSOFTDO-UHFFFAOYSA-N 0 1 233.311 2.168 20 0 BEADMN COc1nscc1CN1CC[C@H](C2CC2)C1 ZINC001642307381 1172342312 /nfs/dbraw/zinc/34/23/12/1172342312.db2.gz FLGXKOIRVJGIOR-JTQLQIEISA-N 0 1 238.356 2.384 20 0 BEADMN COc1nscc1CN1CC[C@@H](C2CC2)C1 ZINC001642307382 1172340849 /nfs/dbraw/zinc/34/08/49/1172340849.db2.gz FLGXKOIRVJGIOR-SNVBAGLBSA-N 0 1 238.356 2.384 20 0 BEADMN CC[C@H](F)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000440484199 201479718 /nfs/dbraw/zinc/47/97/18/201479718.db2.gz FSZCTKLJVJHZEF-NWDGAFQWSA-N 0 1 248.305 2.232 20 0 BEADMN Cc1ccc(CCNCc2cscn2)nc1 ZINC000453597367 202782014 /nfs/dbraw/zinc/78/20/14/202782014.db2.gz HPQQKXMJFFRIBK-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CC(=O)c1cc(CN2C[C@@H](C)CC2(C)C)on1 ZINC000579849364 367048518 /nfs/dbraw/zinc/04/85/18/367048518.db2.gz UOUBVNRTZQJYGY-VIFPVBQESA-N 0 1 236.315 2.498 20 0 BEADMN Cc1occc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184567227 367083810 /nfs/dbraw/zinc/08/38/10/367083810.db2.gz PXQPDTFCCHFYDM-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN Cc1occc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184567227 367083814 /nfs/dbraw/zinc/08/38/14/367083814.db2.gz PXQPDTFCCHFYDM-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)CCC[C@@H]1C ZINC000193358097 367170771 /nfs/dbraw/zinc/17/07/71/367170771.db2.gz MLRHOPVPCNZYSS-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN c1csc(N2CCc3cnccc32)n1 ZINC001642335032 1172344570 /nfs/dbraw/zinc/34/45/70/1172344570.db2.gz VGSULXBXQNIQKF-UHFFFAOYSA-N 0 1 203.270 2.232 20 0 BEADMN CC[C@H](F)CN[C@H](CO)c1ccccc1C ZINC000381399319 367394116 /nfs/dbraw/zinc/39/41/16/367394116.db2.gz QLVPZDWFIOJQLD-WCQYABFASA-N 0 1 225.307 2.366 20 0 BEADMN CC1(C)C[N@@H+](CCCC(=O)[O-])[C@H]2CCC[C@H]21 ZINC000382027250 367479831 /nfs/dbraw/zinc/47/98/31/367479831.db2.gz SKRIIWYHAQSXFD-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN Fc1cnccc1CNCCOCC1CCC1 ZINC000581410002 367448817 /nfs/dbraw/zinc/44/88/17/367448817.db2.gz WXSNCYNCBSFSLJ-UHFFFAOYSA-N 0 1 238.306 2.127 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000382542440 367535831 /nfs/dbraw/zinc/53/58/31/367535831.db2.gz VTTRLYGXJJSIBB-NSHDSACASA-N 0 1 211.305 2.282 20 0 BEADMN CC1=CC[N@@H+](Cc2cc(C(=O)[O-])co2)CC1 ZINC000382544243 367536298 /nfs/dbraw/zinc/53/62/98/367536298.db2.gz XSMJVPPPXJHEIT-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN C[C@H]([N@@H+](C)Cc1ccncc1Cl)C(C)(C)O ZINC000382798799 367557442 /nfs/dbraw/zinc/55/74/42/367557442.db2.gz JNTVQXOVWPGDOB-VIFPVBQESA-N 0 1 242.750 2.326 20 0 BEADMN C[C@H](N(C)Cc1ccncc1Cl)C(C)(C)O ZINC000382798799 367557444 /nfs/dbraw/zinc/55/74/44/367557444.db2.gz JNTVQXOVWPGDOB-VIFPVBQESA-N 0 1 242.750 2.326 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1ccncc1Cl)C(C)(C)O ZINC000382798798 367558009 /nfs/dbraw/zinc/55/80/09/367558009.db2.gz JNTVQXOVWPGDOB-SECBINFHSA-N 0 1 242.750 2.326 20 0 BEADMN C[C@@H](N(C)Cc1ccncc1Cl)C(C)(C)O ZINC000382798798 367558013 /nfs/dbraw/zinc/55/80/13/367558013.db2.gz JNTVQXOVWPGDOB-SECBINFHSA-N 0 1 242.750 2.326 20 0 BEADMN C[N@@H+](Cc1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000382300473 367505634 /nfs/dbraw/zinc/50/56/34/367505634.db2.gz RPTRPVPDVAZHPH-UHFFFAOYSA-N 0 1 228.317 2.072 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CC[C@@H](SC)C1 ZINC000382933833 367570296 /nfs/dbraw/zinc/57/02/96/367570296.db2.gz GOTWUPXZVKTOLP-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000382998793 367583236 /nfs/dbraw/zinc/58/32/36/367583236.db2.gz BHRQALKLUREFPJ-LLVKDONJSA-N 0 1 247.285 2.218 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000383440348 367622101 /nfs/dbraw/zinc/62/21/01/367622101.db2.gz GNMNSCPVYRDJRY-NSHDSACASA-N 0 1 237.274 2.450 20 0 BEADMN CC/C=C/CN[C@H](C)c1nccnc1C ZINC000384710076 367719232 /nfs/dbraw/zinc/71/92/32/367719232.db2.gz DFIXXVLNWJIXFH-BRAIEQGRSA-N 0 1 205.305 2.402 20 0 BEADMN C[C@H]([N@@H+](C)CC1(CC(=O)[O-])CC1)C1(C)CC1 ZINC000385249023 367813336 /nfs/dbraw/zinc/81/33/36/367813336.db2.gz HCRHPJAOJZDGEB-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](NCCC(C)(C)CO)c1cscn1 ZINC000385871611 367872613 /nfs/dbraw/zinc/87/26/13/367872613.db2.gz JJQJBIHHJYPMDU-SECBINFHSA-N 0 1 228.361 2.202 20 0 BEADMN CC(=O)c1cc(CN(C)[C@H](C)C(C)C)on1 ZINC000581764364 367817424 /nfs/dbraw/zinc/81/74/24/367817424.db2.gz HCWBMZWUWHITPS-SECBINFHSA-N 0 1 224.304 2.354 20 0 BEADMN Fc1ccc(SCCc2c[nH]nn2)cc1 ZINC000581981758 368042142 /nfs/dbraw/zinc/04/21/42/368042142.db2.gz OARYBOINQYYXOX-UHFFFAOYSA-N 0 1 223.276 2.279 20 0 BEADMN Cc1ccoc1CNC(=O)c1ccc(F)cc1O ZINC000386784632 368022235 /nfs/dbraw/zinc/02/22/35/368022235.db2.gz KHPUFFLGWILDET-UHFFFAOYSA-N 0 1 249.241 2.363 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000622403267 370897980 /nfs/dbraw/zinc/89/79/80/370897980.db2.gz QPWJUEBZECBVFQ-LURJTMIESA-N 0 1 247.220 2.053 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1CC1(C(=O)[O-])CC1 ZINC000566361771 326037678 /nfs/dbraw/zinc/03/76/78/326037678.db2.gz NFYDDFCTJWBMSO-NXEZZACHSA-N 0 1 211.305 2.114 20 0 BEADMN CCN(CC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000029911733 368244506 /nfs/dbraw/zinc/24/45/06/368244506.db2.gz WRHSHEQTYBWOML-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615794913 368315170 /nfs/dbraw/zinc/31/51/70/368315170.db2.gz UKCPHTNRPZSBJA-GHMZBOCLSA-N 0 1 243.310 2.225 20 0 BEADMN C=C[C@@H](C(=O)[O-])[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399583142 368277625 /nfs/dbraw/zinc/27/76/25/368277625.db2.gz NZUXWGOGYGENTM-ZJUUUORDSA-N 0 1 213.321 2.240 20 0 BEADMN C[C@@H](C(=O)NCc1ccc2nc[nH]c2c1)C1CC1 ZINC000615788671 368303491 /nfs/dbraw/zinc/30/34/91/368303491.db2.gz BZUASHKEIRGNMB-SECBINFHSA-N 0 1 243.310 2.225 20 0 BEADMN Cc1noc(CN(C)C2CCC(C)CC2)n1 ZINC000042475122 368310613 /nfs/dbraw/zinc/31/06/13/368310613.db2.gz KWRLTPIUYKURNM-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@H](F)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000566510589 326061395 /nfs/dbraw/zinc/06/13/95/326061395.db2.gz VQFBXEUQMDEVNG-VIFPVBQESA-N 0 1 229.295 2.206 20 0 BEADMN C[C@@H](CNC(=O)C(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000043085607 368392013 /nfs/dbraw/zinc/39/20/13/368392013.db2.gz PIKVSCDCCILNRL-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C)C[C@H]1CC ZINC000566670530 326072549 /nfs/dbraw/zinc/07/25/49/326072549.db2.gz GYUISNPWASUAFI-YNEHKIRRSA-N 0 1 240.391 2.221 20 0 BEADMN CCN(C)[C@@H](C(=O)NCC(C)C)c1ccccc1 ZINC000057893390 368503132 /nfs/dbraw/zinc/50/31/32/368503132.db2.gz WAGIDTKYGGAQIU-CQSZACIVSA-N 0 1 248.370 2.452 20 0 BEADMN CCn1cc(CN(C)CCC(C)(F)F)cn1 ZINC000566778514 326081372 /nfs/dbraw/zinc/08/13/72/326081372.db2.gz PNXIVOHVMLITIM-UHFFFAOYSA-N 0 1 231.290 2.380 20 0 BEADMN Cc1ccc2ccnc(N3CCN(C)CC3)c2c1 ZINC000059855601 368534642 /nfs/dbraw/zinc/53/46/42/368534642.db2.gz YXBAVUOLRQIXPA-UHFFFAOYSA-N 0 1 241.338 2.295 20 0 BEADMN CCCCN1CCN(C(=O)c2ccccc2)CC1 ZINC000059363382 368532015 /nfs/dbraw/zinc/53/20/15/368532015.db2.gz PGEHZGKLFZHGHC-UHFFFAOYSA-N 0 1 246.354 2.245 20 0 BEADMN C[C@@H]1CC=C(C(=O)NCCN2CC=CCC2)CC1 ZINC000456020046 202900690 /nfs/dbraw/zinc/90/06/90/202900690.db2.gz GCRBAQGEFIROGQ-CYBMUJFWSA-N 0 1 248.370 2.111 20 0 BEADMN CCN(CC(C)C)[C@@H](C)c1nnc(C)o1 ZINC000153775833 326112703 /nfs/dbraw/zinc/11/27/03/326112703.db2.gz MXEZSZDPLZMCNR-VIFPVBQESA-N 0 1 211.309 2.417 20 0 BEADMN CCCCN(CC)C(=O)CN1CCCCC1 ZINC000061744401 368567862 /nfs/dbraw/zinc/56/78/62/368567862.db2.gz OFTHSYCVEPTFTO-UHFFFAOYSA-N 0 1 226.364 2.121 20 0 BEADMN COCCN(Cc1ccsc1)C1CC1 ZINC000065683774 368626446 /nfs/dbraw/zinc/62/64/46/368626446.db2.gz ZNWHMOSNCFFPAR-UHFFFAOYSA-N 0 1 211.330 2.359 20 0 BEADMN CN(CCC(F)(F)F)C[C@H]1CCCCO1 ZINC000066437998 368648174 /nfs/dbraw/zinc/64/81/74/368648174.db2.gz GCSNOVHNGMLYJA-SECBINFHSA-N 0 1 225.254 2.440 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)CC2(C)CC2)CC1 ZINC000456539711 202952515 /nfs/dbraw/zinc/95/25/15/202952515.db2.gz YTSICYMRWKCEGX-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557246 368694023 /nfs/dbraw/zinc/69/40/23/368694023.db2.gz LFWGZDDFNJPRGL-VXNVDRBHSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)c1[nH]nc2c1CCC2 ZINC000457233925 203024689 /nfs/dbraw/zinc/02/46/89/203024689.db2.gz SMZYZDSOOSJSSV-VIFPVBQESA-N 0 1 249.358 2.453 20 0 BEADMN CCO[C@H](C)C(=O)Nc1ccc(F)c(F)c1O ZINC000457290609 203033934 /nfs/dbraw/zinc/03/39/34/203033934.db2.gz JKMGUQPVGOTAQV-ZCFIWIBFSA-N 0 1 245.225 2.034 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(CC(=O)OC(C)(C)C)C1 ZINC000070926258 368766370 /nfs/dbraw/zinc/76/63/70/368766370.db2.gz CBSUPMLRPCLHOG-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1C[C@H](C)CN(CC(=O)OC(C)(C)C)C1 ZINC000070926252 368766721 /nfs/dbraw/zinc/76/67/21/368766721.db2.gz CBSUPMLRPCLHOG-PHIMTYICSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412265 368773624 /nfs/dbraw/zinc/77/36/24/368773624.db2.gz GHNIGDCGRZGOQN-CMPLNLGQSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](NCC1(O)CCCC1)c1nccs1 ZINC000083463987 368778284 /nfs/dbraw/zinc/77/82/84/368778284.db2.gz UKQHFTHIVFDHTB-VIFPVBQESA-N 0 1 226.345 2.099 20 0 BEADMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CC1CCC1 ZINC000088133814 368906161 /nfs/dbraw/zinc/90/61/61/368906161.db2.gz TYNOTEHEVCNMLZ-CQSZACIVSA-N 0 1 245.322 2.298 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCCc3scnc32)CO1 ZINC000624006470 368947067 /nfs/dbraw/zinc/94/70/67/368947067.db2.gz YAXWLULKAMIJRG-KXUCPTDWSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1cc(C(=O)N2[C@H](C)CCC2(C)C)n[nH]1 ZINC000616177237 369008719 /nfs/dbraw/zinc/00/87/19/369008719.db2.gz BMVILNNNYBGUNK-SECBINFHSA-N 0 1 221.304 2.121 20 0 BEADMN CSCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000122997917 369028779 /nfs/dbraw/zinc/02/87/79/369028779.db2.gz QIZUGEAEPQOQMI-UHFFFAOYSA-N 0 1 237.324 2.063 20 0 BEADMN C[C@@H](CNC(=O)[C@@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000457511924 203070593 /nfs/dbraw/zinc/07/05/93/203070593.db2.gz GXTJBJYCGVSLJJ-QWRGUYRKSA-N 0 1 238.375 2.022 20 0 BEADMN O=C(CCC1CC1)NCc1ccc2cncn2c1 ZINC000457970342 203120000 /nfs/dbraw/zinc/12/00/00/203120000.db2.gz AICRADABCABVTG-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN CCCC[C@H](NC(=O)CN(C)C)C1CCC1 ZINC000155342714 326193377 /nfs/dbraw/zinc/19/33/77/326193377.db2.gz PQDRGOPKCNUPMJ-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1O ZINC000458256415 203150959 /nfs/dbraw/zinc/15/09/59/203150959.db2.gz LDBOYVDKCFKBOT-ZHAHWJHGSA-N 0 1 249.285 2.450 20 0 BEADMN CSCCN[C@@H](C)c1nc(C)cs1 ZINC000164569498 203184795 /nfs/dbraw/zinc/18/47/95/203184795.db2.gz YALZCYCVJVQHMR-QMMMGPOBSA-N 0 1 216.375 2.465 20 0 BEADMN COc1cccc(CCNCc2cc(C)on2)c1 ZINC000459383784 203272151 /nfs/dbraw/zinc/27/21/51/203272151.db2.gz FTOIOJKNPYGVEO-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN CCn1nncc1CN(C)C[C@@H]1CC=CCC1 ZINC000459399141 203274717 /nfs/dbraw/zinc/27/47/17/203274717.db2.gz BEPZIIRGZJVCNZ-GFCCVEGCSA-N 0 1 234.347 2.086 20 0 BEADMN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459410979 203275576 /nfs/dbraw/zinc/27/55/76/203275576.db2.gz DLPADMMOJJNMTR-CABZTGNLSA-N 0 1 247.342 2.338 20 0 BEADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1nncn1C ZINC000459406546 203275894 /nfs/dbraw/zinc/27/58/94/203275894.db2.gz LGHNRTHCALIJEY-KPPDAEKUSA-N 0 1 236.363 2.290 20 0 BEADMN CCn1nncc1CN1CCC[C@@](C)(CC)C1 ZINC000459341854 203261236 /nfs/dbraw/zinc/26/12/36/203261236.db2.gz FQSWGTBZNQXRSJ-CYBMUJFWSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@H]1CN(C2CC(OC(C)C)C2)C[C@H](C)O1 ZINC000459349010 203263537 /nfs/dbraw/zinc/26/35/37/203263537.db2.gz RKGXTYPOWDCJEX-AHPWVWPOSA-N 0 1 241.375 2.442 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cc(COC)on1 ZINC000459348841 203265641 /nfs/dbraw/zinc/26/56/41/203265641.db2.gz RDEVWLRLMVGUMD-CMPLNLGQSA-N 0 1 238.331 2.441 20 0 BEADMN Cc1cc(CNCCCCOC(C)C)no1 ZINC000459472083 203287239 /nfs/dbraw/zinc/28/72/39/203287239.db2.gz CIBPINHAUBECKN-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCO[C@@H](C)C2)no1 ZINC000459488397 203289222 /nfs/dbraw/zinc/28/92/22/203289222.db2.gz UQSQXQHEKLHSCB-CMPLNLGQSA-N 0 1 238.331 2.278 20 0 BEADMN CCn1ncnc1CNC1CC(C(C)(C)C)C1 ZINC000459534992 203297208 /nfs/dbraw/zinc/29/72/08/203297208.db2.gz VUANACZFPMDMEY-UHFFFAOYSA-N 0 1 236.363 2.212 20 0 BEADMN C[C@H](NC1CC(C(C)(C)C)C1)c1nncn1C ZINC000459406547 203277176 /nfs/dbraw/zinc/27/71/76/203277176.db2.gz LGHNRTHCALIJEY-WHXUTIOJSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459410977 203277554 /nfs/dbraw/zinc/27/75/54/203277554.db2.gz DLPADMMOJJNMTR-BXKDBHETSA-N 0 1 247.342 2.338 20 0 BEADMN CCC(CC)(CCO)CNCc1cc(C)on1 ZINC000459437309 203279462 /nfs/dbraw/zinc/27/94/62/203279462.db2.gz ZYMYOBLGLVWRSL-UHFFFAOYSA-N 0 1 240.347 2.261 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC[C@H]2C[C@H]2C1 ZINC000619349207 369318459 /nfs/dbraw/zinc/31/84/59/369318459.db2.gz UCLHVXVCQSBYON-ONGXEEELSA-N 0 1 241.294 2.045 20 0 BEADMN Cc1cc(CN[C@@H](CO)CC2CCCC2)no1 ZINC000459453672 203283887 /nfs/dbraw/zinc/28/38/87/203283887.db2.gz MWDNPVPHVRCKKA-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN OCCC1CN(C/C=C\c2ccccc2)C1 ZINC000459584913 203305972 /nfs/dbraw/zinc/30/59/72/203305972.db2.gz AZZBVBZBSGJYJG-DAXSKMNVSA-N 0 1 217.312 2.014 20 0 BEADMN CCC(F)(F)CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000623680127 369381571 /nfs/dbraw/zinc/38/15/71/369381571.db2.gz YSEZFOLMYHDXES-UWVGGRQHSA-N 0 1 232.318 2.247 20 0 BEADMN Cc1cc(CNC[C@]2(O)CCCC2(C)C)no1 ZINC000459582585 203306274 /nfs/dbraw/zinc/30/62/74/203306274.db2.gz DVLLHQCWXURHMA-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN CCC(F)(F)CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000623680128 369382097 /nfs/dbraw/zinc/38/20/97/369382097.db2.gz YSEZFOLMYHDXES-VHSXEESVSA-N 0 1 232.318 2.247 20 0 BEADMN OCCC1CN(Cc2ccc3occc3c2)C1 ZINC000459588270 203307746 /nfs/dbraw/zinc/30/77/46/203307746.db2.gz GGSJKDNWHKBIDS-UHFFFAOYSA-N 0 1 231.295 2.247 20 0 BEADMN COc1ccccc1/C=C/CN1CC(CCO)C1 ZINC000459592674 203309859 /nfs/dbraw/zinc/30/98/59/203309859.db2.gz NENWWTPZJAYCIF-GQCTYLIASA-N 0 1 247.338 2.023 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN2CC(CCO)C2)o1 ZINC000459589472 203310494 /nfs/dbraw/zinc/31/04/94/203310494.db2.gz JCCALCMSWMLGSD-GWCFXTLKSA-N 0 1 235.327 2.217 20 0 BEADMN C[C@@H](CNCC(F)F)CC1CCOCC1 ZINC000459552359 203298851 /nfs/dbraw/zinc/29/88/51/203298851.db2.gz YVFXNOBYHQWVOA-SECBINFHSA-N 0 1 221.291 2.294 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc(C2CC2)cc1 ZINC000459557165 203300318 /nfs/dbraw/zinc/30/03/18/203300318.db2.gz LKEVWZVJRBQTKY-UHFFFAOYSA-N 0 1 246.354 2.261 20 0 BEADMN Cc1cc(CNCCC2(F)CCC2)no1 ZINC000459564359 203302272 /nfs/dbraw/zinc/30/22/72/203302272.db2.gz QTAZMQZCAYAYEZ-UHFFFAOYSA-N 0 1 212.268 2.355 20 0 BEADMN CCc1nnc(CNC2CC(C(C)(C)C)C2)[nH]1 ZINC000459569203 203303618 /nfs/dbraw/zinc/30/36/18/203303618.db2.gz LVHYRPFSOFGQJC-UHFFFAOYSA-N 0 1 236.363 2.281 20 0 BEADMN COCC1(C)CN(C/C=C\c2ccncc2)C1 ZINC000459624797 203321882 /nfs/dbraw/zinc/32/18/82/203321882.db2.gz UXOGJPOBFXJMLN-ARJAWSKDSA-N 0 1 232.327 2.063 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000404013327 369417465 /nfs/dbraw/zinc/41/74/65/369417465.db2.gz CXKDLHHCNKHUQY-QNWHQSFQSA-N 0 1 239.359 2.306 20 0 BEADMN COCC1(O)CN(CCC2CCCCCC2)C1 ZINC000459640947 203329726 /nfs/dbraw/zinc/32/97/26/203329726.db2.gz QVITYNKHORYWTN-UHFFFAOYSA-N 0 1 241.375 2.040 20 0 BEADMN CCc1cnc(CN[C@@H]2CCO[C@H]2CC)s1 ZINC000459741747 203349822 /nfs/dbraw/zinc/34/98/22/203349822.db2.gz NNXCXTZDQISYAN-MNOVXSKESA-N 0 1 240.372 2.363 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1conc1C ZINC000459675390 203335338 /nfs/dbraw/zinc/33/53/38/203335338.db2.gz MEWZWUUEHAOYRJ-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN COC[C@H](CC(C)C)N[C@@H](C)c1ccn(C)n1 ZINC000459741174 203348691 /nfs/dbraw/zinc/34/86/91/203348691.db2.gz FELHUQZUEPXBET-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN CCCC[C@@H](COC)N[C@@H](C)c1ccn(C)n1 ZINC000459758887 203358727 /nfs/dbraw/zinc/35/87/27/203358727.db2.gz QUQJWLSMMXBPIA-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC000619653548 369508082 /nfs/dbraw/zinc/50/80/82/369508082.db2.gz UPUJHIJCFKEJQO-VIFPVBQESA-N 0 1 247.342 2.064 20 0 BEADMN CC(C)CSCCN[C@H](C)c1ccn(C)n1 ZINC000459768801 203362263 /nfs/dbraw/zinc/36/22/63/203362263.db2.gz AHNQPRDYKFZQMW-LLVKDONJSA-N 0 1 241.404 2.460 20 0 BEADMN COc1cc(F)cc(OC)c1CNC1CC1 ZINC000631030489 370962390 /nfs/dbraw/zinc/96/23/90/370962390.db2.gz QYQMQGSPVGOYRO-UHFFFAOYSA-N 0 1 225.263 2.095 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867086 326273110 /nfs/dbraw/zinc/27/31/10/326273110.db2.gz GAHMPUVSTYFYOK-TUAOUCFPSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1ccn(C)n1 ZINC000459782926 203367279 /nfs/dbraw/zinc/36/72/79/203367279.db2.gz HQAOPRAGDZCFQZ-LBPRGKRZSA-N 0 1 245.326 2.150 20 0 BEADMN C[C@H](CN[C@@H](C)c1ccn(C)n1)C(F)(F)F ZINC000459787582 203370493 /nfs/dbraw/zinc/37/04/93/203370493.db2.gz LLJWZHRGUXCBMK-SFYZADRCSA-N 0 1 235.253 2.269 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CCCC(C)C ZINC000166035708 203387543 /nfs/dbraw/zinc/38/75/43/203387543.db2.gz GXDJVGVNPWPBMW-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000620079324 369715160 /nfs/dbraw/zinc/71/51/60/369715160.db2.gz RUOKSESUYWLVQH-LKFCYVNXSA-N 0 1 247.342 2.134 20 0 BEADMN CC(C)[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C1CC1 ZINC000620044496 369688015 /nfs/dbraw/zinc/68/80/15/369688015.db2.gz IRULZDUXNQQBLC-GFCCVEGCSA-N 0 1 249.358 2.238 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000568061369 326302331 /nfs/dbraw/zinc/30/23/31/326302331.db2.gz DHRBGBKKYOAYSN-LLVKDONJSA-N 0 1 225.288 2.211 20 0 BEADMN CCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620767189 369995550 /nfs/dbraw/zinc/99/55/50/369995550.db2.gz XNIHDDRXWVLEGR-AWEZNQCLSA-N 0 1 246.354 2.177 20 0 BEADMN CSCCNCc1ncc(Cl)s1 ZINC000225297802 370072404 /nfs/dbraw/zinc/07/24/04/370072404.db2.gz ZSKCGTLJPBQZIZ-UHFFFAOYSA-N 0 1 222.766 2.249 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@H]2CC2(C)C)n[nH]1 ZINC000621055615 370088792 /nfs/dbraw/zinc/08/87/92/370088792.db2.gz YZJSICLYOPTLDQ-SECBINFHSA-N 0 1 235.331 2.090 20 0 BEADMN Cc1nnc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000075768614 370170734 /nfs/dbraw/zinc/17/07/34/370170734.db2.gz CNQQNRMJNQVNAF-MNOVXSKESA-N 0 1 221.304 2.143 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1csc(C)n1 ZINC000308744214 370156570 /nfs/dbraw/zinc/15/65/70/370156570.db2.gz QLQORKZTCLODHU-VHSXEESVSA-N 0 1 228.386 2.435 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1csc(C)n1 ZINC000308744213 370158424 /nfs/dbraw/zinc/15/84/24/370158424.db2.gz QLQORKZTCLODHU-UWVGGRQHSA-N 0 1 228.386 2.435 20 0 BEADMN CN(Cc1cncc(Cl)c1)[C@H]1CCCOC1 ZINC000621295073 370220225 /nfs/dbraw/zinc/22/02/25/370220225.db2.gz YFBJYDHOPLYXOE-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@H](N[C@H](CO)C1CCCC1)c1cscn1 ZINC000309554489 370227509 /nfs/dbraw/zinc/22/75/09/370227509.db2.gz JHTDFCBVPSEVGQ-GXSJLCMTSA-N 0 1 240.372 2.345 20 0 BEADMN C[C@@H](N[C@@H](CO)C1CCCC1)c1cscn1 ZINC000309554490 370228043 /nfs/dbraw/zinc/22/80/43/370228043.db2.gz JHTDFCBVPSEVGQ-KOLCDFICSA-N 0 1 240.372 2.345 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCC(F)(F)F)C1CCC1 ZINC000309672963 370242603 /nfs/dbraw/zinc/24/26/03/370242603.db2.gz KQLNPTJAHWFZJU-SSDOTTSWSA-N 0 1 239.237 2.266 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621321751 370248937 /nfs/dbraw/zinc/24/89/37/370248937.db2.gz XYJOQOQVQBHSBE-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1cc(CN2CCSC[C@H]2C)ccn1 ZINC000621258469 370192552 /nfs/dbraw/zinc/19/25/52/370192552.db2.gz MKSRPHUAJCLXAI-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN Cc1cc(C[N@H+]2CCCc3n[nH]cc3C2)ccn1 ZINC000621323786 370251907 /nfs/dbraw/zinc/25/19/07/370251907.db2.gz MZTJJBKQGSNANX-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN Cc1cc(CN2CCCc3n[nH]cc3C2)ccn1 ZINC000621323786 370251909 /nfs/dbraw/zinc/25/19/09/370251909.db2.gz MZTJJBKQGSNANX-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN CC1CC(CNc2nc(C3CC3)ns2)C1 ZINC000621354465 370290280 /nfs/dbraw/zinc/29/02/80/370290280.db2.gz KSKJBMBKAKYASW-UHFFFAOYSA-N 0 1 223.345 2.295 20 0 BEADMN CCOC[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000112837478 370358200 /nfs/dbraw/zinc/35/82/00/370358200.db2.gz PLKXZQGQCPCHHL-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC1CC(C)C1 ZINC000621672608 370424462 /nfs/dbraw/zinc/42/44/62/370424462.db2.gz MEDVTFLUNHINDO-MMWSSPAHSA-N 0 1 246.354 2.157 20 0 BEADMN CC1CC(CNC(=O)[C@](C)(N)c2ccccc2)C1 ZINC000621676432 370428175 /nfs/dbraw/zinc/42/81/75/370428175.db2.gz MKJPVFWGBTYUNC-KOHJWAIASA-N 0 1 246.354 2.023 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC2CC(C)C2)cc1 ZINC000621676449 370428192 /nfs/dbraw/zinc/42/81/92/370428192.db2.gz NHFTWHNQFPIJEV-YIZWMMSDSA-N 0 1 246.354 2.157 20 0 BEADMN C[C@H]1CN(CCc2ccccn2)CC(C)(C)O1 ZINC000065428183 370442010 /nfs/dbraw/zinc/44/20/10/370442010.db2.gz HXZLSYPCHTYGMS-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CCOc1cncc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000621725432 370476502 /nfs/dbraw/zinc/47/65/02/370476502.db2.gz OFQSEHMAPJPNGF-PHIMTYICSA-N 0 1 220.316 2.463 20 0 BEADMN Cc1nccnc1CN1CCSC[C@H]1C1CC1 ZINC000621730550 370484848 /nfs/dbraw/zinc/48/48/48/370484848.db2.gz ORYFAIZRZJKVKK-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN Cn1cc(CN2CC(C)(c3ccccc3)C2)cn1 ZINC000621734894 370491636 /nfs/dbraw/zinc/49/16/36/370491636.db2.gz ZARPAJMNFZBNSR-UHFFFAOYSA-N 0 1 241.338 2.194 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CCC1(C)C ZINC000621819644 370548800 /nfs/dbraw/zinc/54/88/00/370548800.db2.gz PVOXAOZXWKIFGY-GFCCVEGCSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCC1(C)C ZINC000621819645 370548949 /nfs/dbraw/zinc/54/89/49/370548949.db2.gz PVOXAOZXWKIFGY-LBPRGKRZSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cnc(C)s2)[nH]1 ZINC000621929307 370604426 /nfs/dbraw/zinc/60/44/26/370604426.db2.gz KFOLDLGAZJRMIL-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621878428 370576863 /nfs/dbraw/zinc/57/68/63/370576863.db2.gz NPZDVIVVVZFVDL-JTQLQIEISA-N 0 1 237.347 2.096 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621956877 370619848 /nfs/dbraw/zinc/61/98/48/370619848.db2.gz AOGOBAQWYBABMI-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN Cc1occc1CNCc1ccncc1 ZINC000067218001 370644049 /nfs/dbraw/zinc/64/40/49/370644049.db2.gz ZEIMIUCLOKANEE-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN Cc1cc(CNCCc2ccc(C)o2)on1 ZINC000631040231 370997557 /nfs/dbraw/zinc/99/75/57/370997557.db2.gz HXPJFVSXTLXBOH-UHFFFAOYSA-N 0 1 220.272 2.217 20 0 BEADMN C/C=C/CNCc1cc(C(F)(F)F)nn1C ZINC000623739613 371075207 /nfs/dbraw/zinc/07/52/07/371075207.db2.gz AHJDOQMGMAIUIF-ONEGZZNKSA-N 0 1 233.237 2.105 20 0 BEADMN CCOCCN[C@@H]1CCCc2scnc21 ZINC000623866062 371132268 /nfs/dbraw/zinc/13/22/68/371132268.db2.gz JVBVNYZXZOXVTD-SECBINFHSA-N 0 1 226.345 2.147 20 0 BEADMN CCc1cc(CN[C@@H](C)[C@@H]2CCCCO2)on1 ZINC000623897195 371145559 /nfs/dbraw/zinc/14/55/59/371145559.db2.gz IHEXUIIEXKALHI-GWCFXTLKSA-N 0 1 238.331 2.284 20 0 BEADMN COC[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623848811 371125874 /nfs/dbraw/zinc/12/58/74/371125874.db2.gz LKXFUQPGJSCQCN-DTWKUNHWSA-N 0 1 226.345 2.145 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@H]1CCCCO1 ZINC000623923767 371157646 /nfs/dbraw/zinc/15/76/46/371157646.db2.gz KTOVFMZUYXTDPR-GXFFZTMASA-N 0 1 238.306 2.268 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@H]1CCCCO1 ZINC000623942299 371170372 /nfs/dbraw/zinc/17/03/72/371170372.db2.gz FMHAIZDZEPKSMY-NOZJJQNGSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@H]1CCCCO1 ZINC000623942299 371170375 /nfs/dbraw/zinc/17/03/75/371170375.db2.gz FMHAIZDZEPKSMY-NOZJJQNGSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@H](O)C[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623958206 371197391 /nfs/dbraw/zinc/19/73/91/371197391.db2.gz FUNZREMHBYYDMB-GUBZILKMSA-N 0 1 240.372 2.270 20 0 BEADMN CC[C@@H](C)[C@@](C)(O)CNCc1nccs1 ZINC000389940091 371181725 /nfs/dbraw/zinc/18/17/25/371181725.db2.gz OIWAMCVFBPPNDM-KOLCDFICSA-N 0 1 228.361 2.030 20 0 BEADMN CC[C@@H](C)[C@](C)(O)CNCc1nccs1 ZINC000389940092 371181981 /nfs/dbraw/zinc/18/19/81/371181981.db2.gz OIWAMCVFBPPNDM-MWLCHTKSSA-N 0 1 228.361 2.030 20 0 BEADMN O[C@@H]1CCC[C@H]1N[C@H]1CCCc2scnc21 ZINC000623998654 371228239 /nfs/dbraw/zinc/22/82/39/371228239.db2.gz YQGDMBPONVVXMM-KXUCPTDWSA-N 0 1 238.356 2.024 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@@H]2CCCCO2)o1 ZINC000623999666 371232333 /nfs/dbraw/zinc/23/23/33/371232333.db2.gz XRPVSBMPFDHTPN-SKDRFNHKSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@H](NCc1cn[nH]c1)c1ccncc1 ZINC000390799846 371235824 /nfs/dbraw/zinc/23/58/24/371235824.db2.gz XDHICPRUJFYKNV-LBPRGKRZSA-N 0 1 216.288 2.046 20 0 BEADMN O=[N+]([O-])c1ccsc1NCCN1CCCC1 ZINC000390814112 371236519 /nfs/dbraw/zinc/23/65/19/371236519.db2.gz FZLARFJBIILCEF-UHFFFAOYSA-N 0 1 241.316 2.164 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn(CCF)c1 ZINC000624127028 371327946 /nfs/dbraw/zinc/32/79/46/371327946.db2.gz YBQLWSUOQIXHON-MRVPVSSYSA-N 0 1 237.282 2.057 20 0 BEADMN C[C@H](CN1CC(=O)N(C)[C@H](C)C1)CC(C)(C)C ZINC001642856978 1172412210 /nfs/dbraw/zinc/41/22/10/1172412210.db2.gz FWMOHZPVYKYYLA-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(F)(F)CN[C@H]1CCCOCC1 ZINC000624147658 371339490 /nfs/dbraw/zinc/33/94/90/371339490.db2.gz HFVIJVXFDQPAFP-VIFPVBQESA-N 0 1 207.264 2.190 20 0 BEADMN CC[C@H](NCC(F)(F)CC)[C@H]1CCOC1 ZINC000624148007 371343614 /nfs/dbraw/zinc/34/36/14/371343614.db2.gz SGLCCMZTVXSUTQ-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN Nc1cc[nH+]c(-c2ccc(C(=O)[O-])s2)c1 ZINC000002458584 371551036 /nfs/dbraw/zinc/55/10/36/371551036.db2.gz UEVYYNBZRBVMEL-UHFFFAOYSA-N 0 1 220.253 2.091 20 0 BEADMN CC(C)CSCCN[C@@H](C)c1ncc[nH]1 ZINC000285494285 371552617 /nfs/dbraw/zinc/55/26/17/371552617.db2.gz AMCRPUVFHFEJLZ-JTQLQIEISA-N 0 1 227.377 2.450 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627370202 371588470 /nfs/dbraw/zinc/58/84/70/371588470.db2.gz QQZBXXKDQWVGIG-JTQLQIEISA-N 0 1 249.358 2.367 20 0 BEADMN O=C(C[C@@H]1C=CCCC1)N1CCc2nc[nH]c2C1 ZINC000627371157 371588574 /nfs/dbraw/zinc/58/85/74/371588574.db2.gz WSBHJPNUGFDQBX-LLVKDONJSA-N 0 1 245.326 2.041 20 0 BEADMN C[C@H]1CCCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627373264 371591599 /nfs/dbraw/zinc/59/15/99/371591599.db2.gz MELSYANKAOYIFV-WDEREUQCSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627373262 371592604 /nfs/dbraw/zinc/59/26/04/371592604.db2.gz MELSYANKAOYIFV-MNOVXSKESA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@@H](CSC)NCc1nccs1 ZINC000162169693 371623410 /nfs/dbraw/zinc/62/34/10/371623410.db2.gz FFSSXOLGXDBRAN-QMMMGPOBSA-N 0 1 216.375 2.374 20 0 BEADMN Cc1nn(C)c(Cl)c1CNC1(C)CC1 ZINC000162633126 371734109 /nfs/dbraw/zinc/73/41/09/371734109.db2.gz HCPGELYTWXIXRV-UHFFFAOYSA-N 0 1 213.712 2.024 20 0 BEADMN Cc1cccc2nc(N(C)Cc3cnc[nH]3)oc21 ZINC001642922177 1172419266 /nfs/dbraw/zinc/41/92/66/1172419266.db2.gz RTPXMJXUHCLOLL-UHFFFAOYSA-N 0 1 242.282 2.496 20 0 BEADMN Cc1cc(CN[C@H](C)[C@@H]2CC2(F)F)on1 ZINC000631163727 372214509 /nfs/dbraw/zinc/21/45/09/372214509.db2.gz OLVHKFOAWYKTLV-APPZFPTMSA-N 0 1 216.231 2.116 20 0 BEADMN CC(C)n1ncnc1CNC1CC2(CCC2)C1 ZINC000631168930 372216138 /nfs/dbraw/zinc/21/61/38/372216138.db2.gz QMSCDPOZGNBSEZ-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN CC[C@H](C)CCNCc1ncnn1C(C)C ZINC000631174498 372217851 /nfs/dbraw/zinc/21/78/51/372217851.db2.gz YKVFNYUAXBKADH-NSHDSACASA-N 0 1 224.352 2.385 20 0 BEADMN CCCn1nccc1CNCC(C)(C)F ZINC000631189200 372222925 /nfs/dbraw/zinc/22/29/25/372222925.db2.gz OYGGEFJZJCGCGW-UHFFFAOYSA-N 0 1 213.300 2.131 20 0 BEADMN c1c(CN[C@@]23C[C@@H]2CCCC3)nnn1C1CCC1 ZINC000631228516 372250385 /nfs/dbraw/zinc/25/03/85/372250385.db2.gz ZCCYTBHUCDJCNT-FZMZJTMJSA-N 0 1 246.358 2.425 20 0 BEADMN Cc1cc(CNC(=O)c2sc(C)cc2C)n[nH]1 ZINC000631292510 372280634 /nfs/dbraw/zinc/28/06/34/372280634.db2.gz GOSFRJNOXXLEKI-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN CCCC[C@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000171174931 372418609 /nfs/dbraw/zinc/41/86/09/372418609.db2.gz YXUIGEDVXZYAQY-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1nccn1C ZINC000631702167 372512849 /nfs/dbraw/zinc/51/28/49/372512849.db2.gz JDPBJRZJKCRBDX-WHOHXGKFSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccncc1 ZINC000631720555 372522188 /nfs/dbraw/zinc/52/21/88/372522188.db2.gz SWIQHRDIYGBSDI-NRPADANISA-N 0 1 248.248 2.044 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccncc1 ZINC000631720556 372522508 /nfs/dbraw/zinc/52/25/08/372522508.db2.gz SWIQHRDIYGBSDI-OYNCUSHFSA-N 0 1 248.248 2.044 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCCn2nccc21 ZINC000631753282 372555315 /nfs/dbraw/zinc/55/53/15/372555315.db2.gz IZUBIVMRGPNHCP-IWSPIJDZSA-N 0 1 245.248 2.258 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCCn2nccc21 ZINC000631809862 372587489 /nfs/dbraw/zinc/58/74/89/372587489.db2.gz OLYHNWDMLBDECI-BXKDBHETSA-N 0 1 245.330 2.100 20 0 BEADMN O=C(C[C@H]1CCCO1)Nc1ccc2nc[nH]c2c1 ZINC000299285101 182029363 /nfs/dbraw/zinc/02/93/63/182029363.db2.gz FNPMYWJLDIQNHZ-SNVBAGLBSA-N 0 1 245.282 2.071 20 0 BEADMN O=[S@](C=C(O)c1ccc[nH]1)C1CCCCC1 ZINC000173203874 182032159 /nfs/dbraw/zinc/03/21/59/182032159.db2.gz NSWUIKPVKCJUTK-MRXNPFEDSA-N 0 1 239.340 2.279 20 0 BEADMN O=C(C[C@H]1C=CCCC1)NCCN1CC=CCC1 ZINC000279769573 182026408 /nfs/dbraw/zinc/02/64/08/182026408.db2.gz BMCRUONZLSPEMB-AWEZNQCLSA-N 0 1 248.370 2.111 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1[nH]nc2c1CCCC2 ZINC000172393995 372962529 /nfs/dbraw/zinc/96/25/29/372962529.db2.gz SDQHDVREPGVFRZ-JTQLQIEISA-N 0 1 245.326 2.127 20 0 BEADMN CCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352888373 168835443 /nfs/dbraw/zinc/83/54/43/168835443.db2.gz OEYWXPGWIDNNBS-COPLHBTASA-N 0 1 217.378 2.018 20 0 BEADMN CC1(C)CN(C(=O)c2ccn[nH]2)[C@H]1c1ccco1 ZINC000633787183 373759689 /nfs/dbraw/zinc/75/96/89/373759689.db2.gz QQTTYTBWJROKFA-NSHDSACASA-N 0 1 245.282 2.226 20 0 BEADMN CCN(CC(=O)NCCC(C)(C)CC)C1CC1 ZINC000633970474 373872976 /nfs/dbraw/zinc/87/29/76/373872976.db2.gz URNWZBRQWYVTGK-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](NCC=C(C)C)c1nccn1C ZINC000188444808 205833189 /nfs/dbraw/zinc/83/31/89/205833189.db2.gz BQUMHMHHUDFOSA-LLVKDONJSA-N 0 1 207.321 2.427 20 0 BEADMN CSCCN(C)Cc1cncc(C)c1 ZINC000189926681 205884995 /nfs/dbraw/zinc/88/49/95/205884995.db2.gz OCHXVSBVXJLQMF-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN CCCN(C)CC(=O)Nc1ccsc1C ZINC000634213752 374030453 /nfs/dbraw/zinc/03/04/53/374030453.db2.gz OTHZUXBDOUTMKY-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@H]3C)[nH]c2c1 ZINC000174890200 374271203 /nfs/dbraw/zinc/27/12/03/374271203.db2.gz MNHANGJZBZDUOA-NXEZZACHSA-N 0 1 243.310 2.144 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1ccncc1Cl ZINC000421832397 206026523 /nfs/dbraw/zinc/02/65/23/206026523.db2.gz GWJVAKURHNMQPD-RKDXNWHRSA-N 0 1 226.707 2.175 20 0 BEADMN CC[C@@H](F)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000440484196 206076434 /nfs/dbraw/zinc/07/64/34/206076434.db2.gz FSZCTKLJVJHZEF-NEPJUHHUSA-N 0 1 248.305 2.232 20 0 BEADMN CC[C@H](F)CN1CCC[C@@H](c2nc(C)no2)C1 ZINC000440699297 206079932 /nfs/dbraw/zinc/07/99/32/206079932.db2.gz BLDWQGDBWFLNHE-MNOVXSKESA-N 0 1 241.310 2.306 20 0 BEADMN COc1cc(C)nc(CN2CC[C@H]2C2CC2)c1 ZINC000449425972 206098753 /nfs/dbraw/zinc/09/87/53/206098753.db2.gz JTIJFRFUTMNVCF-AWEZNQCLSA-N 0 1 232.327 2.383 20 0 BEADMN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1n[nH]c2ccccc21 ZINC000333660056 182344661 /nfs/dbraw/zinc/34/46/61/182344661.db2.gz AZHODWCQHRHSHP-ILWJIGKKSA-N 0 1 241.294 2.091 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)OC1CCCC1 ZINC000296282282 182333780 /nfs/dbraw/zinc/33/37/80/182333780.db2.gz MTIFVKSYXUHCKT-NSHDSACASA-N 0 1 249.314 2.456 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000268995849 182334344 /nfs/dbraw/zinc/33/43/44/182334344.db2.gz PTNSWLUZJOJUID-JTQLQIEISA-N 0 1 247.323 2.279 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194860912 206111763 /nfs/dbraw/zinc/11/17/63/206111763.db2.gz KZBJYYLVBDEINP-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1=CCCCC1 ZINC000130292927 182362118 /nfs/dbraw/zinc/36/21/18/182362118.db2.gz ZJOHBZHVYCXDND-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cncnc1 ZINC000355134897 182369501 /nfs/dbraw/zinc/36/95/01/182369501.db2.gz ZOHBQIIXQHTCNY-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN O=C(Nc1cn[nH]c1)c1cc(Cl)ccc1O ZINC000035237596 182392061 /nfs/dbraw/zinc/39/20/61/182392061.db2.gz WJWWZJQVZNABTC-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN O=C(Nc1ccncc1)c1ccc(F)cc1O ZINC000123261507 182386953 /nfs/dbraw/zinc/38/69/53/182386953.db2.gz CTCXIKOFCIGBTD-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccccc1 ZINC000184619509 182397110 /nfs/dbraw/zinc/39/71/10/182397110.db2.gz YIFKDEXGFHWMKT-UHFFFAOYSA-N 0 1 242.282 2.325 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccccc1 ZINC000184619509 182397113 /nfs/dbraw/zinc/39/71/13/182397113.db2.gz YIFKDEXGFHWMKT-UHFFFAOYSA-N 0 1 242.282 2.325 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000042381111 182654854 /nfs/dbraw/zinc/65/48/54/182654854.db2.gz DQUUSUPQKZMAOU-CMPLNLGQSA-N 0 1 233.315 2.205 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC(C2CCCC2)CC1 ZINC000371112740 182656370 /nfs/dbraw/zinc/65/63/70/182656370.db2.gz HDJZQDPETDEHAK-UHFFFAOYSA-N 0 1 247.342 2.452 20 0 BEADMN OCC1(NCc2ccc(F)cc2Cl)CCC1 ZINC000122158512 183038010 /nfs/dbraw/zinc/03/80/10/183038010.db2.gz OMXMPRVNQAHBSI-UHFFFAOYSA-N 0 1 243.709 2.484 20 0 BEADMN OCCCNCc1nc(-c2ccccc2)cs1 ZINC000061680788 183058897 /nfs/dbraw/zinc/05/88/97/183058897.db2.gz LMNLUNHMOFDJQJ-UHFFFAOYSA-N 0 1 248.351 2.282 20 0 BEADMN OCCC[C@@H](NCCF)c1ccccc1 ZINC000308882352 183062749 /nfs/dbraw/zinc/06/27/49/183062749.db2.gz QZWDBVIJGPTKDJ-GFCCVEGCSA-N 0 1 211.280 2.059 20 0 BEADMN OCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000070206335 183066755 /nfs/dbraw/zinc/06/67/55/183066755.db2.gz BARNZTRBAWNCMQ-UHFFFAOYSA-N 0 1 247.260 2.433 20 0 BEADMN OCCN(Cc1ccc(F)cc1F)C1CCC1 ZINC000221160049 183070065 /nfs/dbraw/zinc/07/00/65/183070065.db2.gz MJLMFCXNCUUPDZ-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN OCCN(Cc1ccc(F)cc1F)CC1CC1 ZINC000352489936 183070984 /nfs/dbraw/zinc/07/09/84/183070984.db2.gz FDVYJXIPDGPRLA-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN OCC[C@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000185119984 183097503 /nfs/dbraw/zinc/09/75/03/183097503.db2.gz KFTDEULAUXSYOH-NEPJUHHUSA-N 0 1 221.300 2.401 20 0 BEADMN OC[C@H](NCCC1CC1)c1c(F)cccc1F ZINC000359513467 183139703 /nfs/dbraw/zinc/13/97/03/183139703.db2.gz MGUXYGLCMIMTEP-LBPRGKRZSA-N 0 1 241.281 2.388 20 0 BEADMN O[C@@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000265177293 183199147 /nfs/dbraw/zinc/19/91/47/183199147.db2.gz VPEQHNMEAXACET-SECBINFHSA-N 0 1 243.709 2.088 20 0 BEADMN CCCN(C)CC(=O)Nc1ccccc1N(C)C ZINC000359350901 169075601 /nfs/dbraw/zinc/07/56/01/169075601.db2.gz XODQHHFMKWWASB-UHFFFAOYSA-N 0 1 249.358 2.033 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(F)c1F ZINC000358604936 169075683 /nfs/dbraw/zinc/07/56/83/169075683.db2.gz XLUWKYYYFLIOAX-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN CCCN(C)CC(=O)N(C)c1ccc(F)cc1 ZINC000355597534 169065742 /nfs/dbraw/zinc/06/57/42/169065742.db2.gz VFGCDJOTQHXIBE-UHFFFAOYSA-N 0 1 238.306 2.130 20 0 BEADMN CCCN(C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000359313504 169066722 /nfs/dbraw/zinc/06/67/22/169066722.db2.gz BGVIICPPCISDQM-GFCCVEGCSA-N 0 1 246.354 2.479 20 0 BEADMN CCCN(CC(=O)N(C)C)Cc1cccc(C)c1 ZINC000056510478 169092603 /nfs/dbraw/zinc/09/26/03/169092603.db2.gz WVAYTNVVXKVWMD-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000032014935 169098724 /nfs/dbraw/zinc/09/87/24/169098724.db2.gz ZTFJHZXWRVSJMX-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN Oc1cc(F)cc(CNC2CC(F)(F)C2)c1 ZINC000277785515 183258971 /nfs/dbraw/zinc/25/89/71/183258971.db2.gz ZOOSUWIQBSNLQK-UHFFFAOYSA-N 0 1 231.217 2.419 20 0 BEADMN CCCN(CCO)Cc1cc(F)ccc1F ZINC000048347097 169167880 /nfs/dbraw/zinc/16/78/80/169167880.db2.gz RFJGDNUEQUTUHU-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN CCCN(Cc1nc(C)c(C)o1)CC(C)(C)O ZINC000336708803 169180958 /nfs/dbraw/zinc/18/09/58/169180958.db2.gz JGLMMXIBIOTFEY-UHFFFAOYSA-N 0 1 240.347 2.274 20 0 BEADMN CCC[N@@H+](Cc1nc(CC)cc(=O)[n-]1)CC1CC1 ZINC000120987889 169181856 /nfs/dbraw/zinc/18/18/56/169181856.db2.gz ZJNZOTHVNDRKLP-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CCC[N@H+](Cc1nc(CC)cc(=O)[n-]1)CC1CC1 ZINC000120987889 169181858 /nfs/dbraw/zinc/18/18/58/169181858.db2.gz ZJNZOTHVNDRKLP-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CCCN(Cc1nnc(C)o1)CC(C)C ZINC000336716030 169181928 /nfs/dbraw/zinc/18/19/28/169181928.db2.gz WVWUQFOPCHIXFP-UHFFFAOYSA-N 0 1 211.309 2.246 20 0 BEADMN c1nc(NCC[C@@H]2CCOC2)cc2c1CCCC2 ZINC000361236214 183318769 /nfs/dbraw/zinc/31/87/69/183318769.db2.gz IFAHUGURBMEOQR-GFCCVEGCSA-N 0 1 246.354 2.221 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cc(C)ccn1 ZINC000124300511 169196375 /nfs/dbraw/zinc/19/63/75/169196375.db2.gz QTNKNCSYFCNMLM-GFCCVEGCSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1ccnc(C)c1 ZINC000112298397 169196582 /nfs/dbraw/zinc/19/65/82/169196582.db2.gz PWAVCRMRRQIXIJ-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(c2nc(CC)cs2)CC1 ZINC000337915821 169205456 /nfs/dbraw/zinc/20/54/56/169205456.db2.gz POXIQWCEZYQSPY-UHFFFAOYSA-N 0 1 239.388 2.238 20 0 BEADMN CCCNC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000299331077 169222978 /nfs/dbraw/zinc/22/29/78/169222978.db2.gz PJRSAOXLPIBGEJ-AWEZNQCLSA-N 0 1 246.354 2.002 20 0 BEADMN c1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000377834374 183342666 /nfs/dbraw/zinc/34/26/66/183342666.db2.gz LCGOYSWKEITMFY-OLZOCXBDSA-N 0 1 249.358 2.048 20 0 BEADMN c1cc(CN2CCSC[C@H]2C2CC2)on1 ZINC000336307537 183346331 /nfs/dbraw/zinc/34/63/31/183346331.db2.gz QDSHZUHBIPKCBI-NSHDSACASA-N 0 1 224.329 2.002 20 0 BEADMN CCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000176667656 169205939 /nfs/dbraw/zinc/20/59/39/169205939.db2.gz MKUBAQJOUUAANI-UHFFFAOYSA-N 0 1 239.388 2.292 20 0 BEADMN c1ncc(CNc2cccc(-c3nnco3)c2)[nH]1 ZINC000054763782 183357177 /nfs/dbraw/zinc/35/71/77/183357177.db2.gz ALHUIWHSTXTOGP-UHFFFAOYSA-N 0 1 241.254 2.072 20 0 BEADMN c1cc2c(ncnc2N2CCc3cnccc32)[nH]1 ZINC000362560022 183372365 /nfs/dbraw/zinc/37/23/65/183372365.db2.gz JIBFJTHZFFIVSR-UHFFFAOYSA-N 0 1 237.266 2.047 20 0 BEADMN CCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000340882373 169237808 /nfs/dbraw/zinc/23/78/08/169237808.db2.gz FCRMXZQWICUDBC-UHFFFAOYSA-N 0 1 246.314 2.081 20 0 BEADMN c1cc([C@H]2CCCN2CCc2ccccn2)n[nH]1 ZINC000298625158 183391988 /nfs/dbraw/zinc/39/19/88/183391988.db2.gz VFAGGWFOYQFMKC-CQSZACIVSA-N 0 1 242.326 2.184 20 0 BEADMN c1ccc(CCN2CCOC3(CCCC3)C2)nc1 ZINC000157962737 183393347 /nfs/dbraw/zinc/39/33/47/183393347.db2.gz IYTGCPHKDHKTBW-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN c1ccc(CN(C[C@H]2CCCO2)C2CC2)nc1 ZINC000272550833 183397179 /nfs/dbraw/zinc/39/71/79/183397179.db2.gz MEPBICAXPOUOJI-CQSZACIVSA-N 0 1 232.327 2.225 20 0 BEADMN CCCN[C@@H](C)c1c(F)cncc1F ZINC000285582667 169275757 /nfs/dbraw/zinc/27/57/57/169275757.db2.gz IGWPPDXBGWOLFD-ZETCQYMHSA-N 0 1 200.232 2.420 20 0 BEADMN CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000087342307 169281013 /nfs/dbraw/zinc/28/10/13/169281013.db2.gz MJBPTJJXJGPHIV-LBPRGKRZSA-N 0 1 215.300 2.499 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000122906724 169298960 /nfs/dbraw/zinc/29/89/60/169298960.db2.gz GTBAFAZLOVQFKI-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCCOC(=O)[C@H](C)[N@H+]1CCCC12CCC2 ZINC000373091308 169299795 /nfs/dbraw/zinc/29/97/95/169299795.db2.gz BLTSODMADJWNHZ-NSHDSACASA-N 0 1 225.332 2.347 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCC12CCC2 ZINC000373091308 169299797 /nfs/dbraw/zinc/29/97/97/169299797.db2.gz BLTSODMADJWNHZ-NSHDSACASA-N 0 1 225.332 2.347 20 0 BEADMN CCCOc1ccc(-c2noc(CNC)n2)cc1 ZINC000045894475 169316398 /nfs/dbraw/zinc/31/63/98/169316398.db2.gz KHTAFPGZKDMPPO-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CCC[C@@H](C(=O)N1CCCN(C)CC1)C(C)C ZINC000371242986 169343901 /nfs/dbraw/zinc/34/39/01/169343901.db2.gz RCZLZLXBWIDQAB-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cc(COC)on1 ZINC000297844087 169365665 /nfs/dbraw/zinc/36/56/65/169365665.db2.gz ODWPJXBKZBOCOZ-SNVBAGLBSA-N 0 1 226.320 2.441 20 0 BEADMN CCC[C@@H](C)N(C)Cc1nccc(C)n1 ZINC000336644421 169365731 /nfs/dbraw/zinc/36/57/31/169365731.db2.gz GIRTZIGZHMKMOE-LLVKDONJSA-N 0 1 207.321 2.405 20 0 BEADMN CCC[C@@H](C(=O)Nc1nnc(C)[nH]1)C(C)C ZINC000163619911 169346626 /nfs/dbraw/zinc/34/66/26/169346626.db2.gz LZFQOBTXHJUGER-SECBINFHSA-N 0 1 224.308 2.124 20 0 BEADMN CCC[C@@H](C)NCc1nnc(CC)s1 ZINC000336656692 169370483 /nfs/dbraw/zinc/37/04/83/169370483.db2.gz OSPLGDLRMSRVAS-MRVPVSSYSA-N 0 1 213.350 2.379 20 0 BEADMN CCC[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000112897101 169354062 /nfs/dbraw/zinc/35/40/62/169354062.db2.gz MHKSYAQXOBSKDR-MRVPVSSYSA-N 0 1 248.286 2.439 20 0 BEADMN CCC[C@@H](C)CN1CCn2cc(C)nc2C1 ZINC000374699358 169358811 /nfs/dbraw/zinc/35/88/11/169358811.db2.gz LJASBTXQAOYOOS-LLVKDONJSA-N 0 1 221.348 2.443 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062935023 169358949 /nfs/dbraw/zinc/35/89/49/169358949.db2.gz VTVCLBMFQDYCPU-ZYHUDNBSSA-N 0 1 213.321 2.219 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000362697552 169377437 /nfs/dbraw/zinc/37/74/37/169377437.db2.gz CEFNSUZGFGERHP-YPMHNXCESA-N 0 1 238.375 2.308 20 0 BEADMN CCC[C@@H](CC)N[C@H](C)c1ncn(C)n1 ZINC000336745163 169380110 /nfs/dbraw/zinc/38/01/10/169380110.db2.gz AGQDIJLQLLARIX-NXEZZACHSA-N 0 1 210.325 2.044 20 0 BEADMN CCC[C@@H](CNCc1cscn1)OC ZINC000293795207 169384370 /nfs/dbraw/zinc/38/43/70/169384370.db2.gz XRWPRLGZSBDTDU-JTQLQIEISA-N 0 1 214.334 2.048 20 0 BEADMN CCC[C@@H](CNCc1cn2ccccc2n1)OC ZINC000293540550 169385167 /nfs/dbraw/zinc/38/51/67/169385167.db2.gz ANLYWTHUXUGDNP-ZDUSSCGKSA-N 0 1 247.342 2.239 20 0 BEADMN COC[C@@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000179373681 134316523 /nfs/dbraw/zinc/31/65/23/134316523.db2.gz GKPBBACMFVDJQN-LLVKDONJSA-N 0 1 239.363 2.105 20 0 BEADMN Cc1csc(CN[C@]2(C)CCCOC2)n1 ZINC000221357413 134320576 /nfs/dbraw/zinc/32/05/76/134320576.db2.gz URRZVDKHWRFFBE-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN FC(F)(F)[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000179621236 134323225 /nfs/dbraw/zinc/32/32/25/134323225.db2.gz YTPHFADQGGEKAG-QMMMGPOBSA-N 0 1 233.237 2.184 20 0 BEADMN C[C@@H](NCC1=NOCC1)c1cc2cnccc2o1 ZINC001644278297 1172539352 /nfs/dbraw/zinc/53/93/52/1172539352.db2.gz VPVPWAQXUDSFBU-SECBINFHSA-N 0 1 245.282 2.255 20 0 BEADMN CN(C)c1cccc(CN2CCC(F)CC2)n1 ZINC001644318977 1172544531 /nfs/dbraw/zinc/54/45/31/1172544531.db2.gz FEHROAAXHZKSQU-UHFFFAOYSA-N 0 1 237.322 2.082 20 0 BEADMN CO[C@@H](C)CNCc1ccc(Cl)o1 ZINC000223979148 134344051 /nfs/dbraw/zinc/34/40/51/134344051.db2.gz GOIAWTDLOMKJDX-ZETCQYMHSA-N 0 1 203.669 2.058 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001644505262 1172568205 /nfs/dbraw/zinc/56/82/05/1172568205.db2.gz AEFONMVGFYWCGA-DGCLKSJQSA-N 0 1 247.342 2.052 20 0 BEADMN CC[C@H](CCO)NCc1ncc(Cl)s1 ZINC000225355312 134354778 /nfs/dbraw/zinc/35/47/78/134354778.db2.gz AVTRVGQRYLJUGT-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN C[C@H](CCCO)NCc1ncc(Cl)s1 ZINC000225365761 134355160 /nfs/dbraw/zinc/35/51/60/134355160.db2.gz GYOFIVRGNXQBTD-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@@H](C)C2)n1 ZINC000336691716 169603282 /nfs/dbraw/zinc/60/32/82/169603282.db2.gz BTUPTSOTKYYQIX-UWVGGRQHSA-N 0 1 223.320 2.110 20 0 BEADMN CCC[C@H](C)CCCN1C[C@H](CO)OC[C@H]1C ZINC001644897528 1172619027 /nfs/dbraw/zinc/61/90/27/1172619027.db2.gz QJALMPVMAYDJDU-BFHYXJOUSA-N 0 1 243.391 2.284 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@@H](C)c1cccnc1 ZINC000265179991 169661338 /nfs/dbraw/zinc/66/13/38/169661338.db2.gz LITLPUNOKPLLPL-JTQLQIEISA-N 0 1 244.298 2.028 20 0 BEADMN c1nc(C2CC2)c(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000647145266 383839447 /nfs/dbraw/zinc/83/94/47/383839447.db2.gz RMODNYSFZAMBAK-QMMMGPOBSA-N 0 1 246.270 2.027 20 0 BEADMN CC(C)(c1nc([C@H]2CCCN2)no1)C1CC1 ZINC000647145087 383839787 /nfs/dbraw/zinc/83/97/87/383839787.db2.gz NLJMDYOAVBMREA-SECBINFHSA-N 0 1 221.304 2.182 20 0 BEADMN C1=C[C@@H](Cc2nc([C@H]3CCCN3)no2)CCC1 ZINC000647146314 383854753 /nfs/dbraw/zinc/85/47/53/383854753.db2.gz RWZKRQHDRRZDCM-GHMZBOCLSA-N 0 1 233.315 2.393 20 0 BEADMN CC(C)c1cc(-c2nc([C@H]3CCCN3)no2)no1 ZINC000647147568 383880599 /nfs/dbraw/zinc/88/05/99/383880599.db2.gz UQGYYNJPGRQMFV-MRVPVSSYSA-N 0 1 248.286 2.273 20 0 BEADMN Cc1nnsc1CN(C)CCC1CC1 ZINC000565893910 383868654 /nfs/dbraw/zinc/86/86/54/383868654.db2.gz CGDQPTBKUATYQJ-UHFFFAOYSA-N 0 1 211.334 2.078 20 0 BEADMN Cc1noc([C@@H](C)N(C)CC2CCC2)n1 ZINC000558248672 383869476 /nfs/dbraw/zinc/86/94/76/383869476.db2.gz YAOBTKFKJMAEES-MRVPVSSYSA-N 0 1 209.293 2.171 20 0 BEADMN Cc1nnc(NC(=O)C[C@H]2CCCC[C@H]2C)[nH]1 ZINC000517738542 383871271 /nfs/dbraw/zinc/87/12/71/383871271.db2.gz OHJHAQSBKWVHOK-PSASIEDQSA-N 0 1 236.319 2.268 20 0 BEADMN C[C@@H]1CCC[C@@H]1Cc1nc([C@@H]2CCCN2)no1 ZINC000647146878 383874671 /nfs/dbraw/zinc/87/46/71/383874671.db2.gz DSCBFQWPVAZAJG-MXWKQRLJSA-N 0 1 235.331 2.473 20 0 BEADMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)NC(C)(C)C ZINC000035124353 383831537 /nfs/dbraw/zinc/83/15/37/383831537.db2.gz QSJKXUUSBNDMKF-QWRGUYRKSA-N 0 1 249.358 2.035 20 0 BEADMN CCC1(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000647149112 383908208 /nfs/dbraw/zinc/90/82/08/383908208.db2.gz FFEFRNZYRQGTMS-SECBINFHSA-N 0 1 221.304 2.326 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)C(F)(F)F ZINC000647149632 383915961 /nfs/dbraw/zinc/91/59/61/383915961.db2.gz OWORABGTXCHDQU-PHDIDXHHSA-N 0 1 235.209 2.160 20 0 BEADMN CC(C)c1cc(-c2nc([C@H]3CCCN3)no2)on1 ZINC000647149779 383918740 /nfs/dbraw/zinc/91/87/40/383918740.db2.gz RWNHQCUZRRHIMI-MRVPVSSYSA-N 0 1 248.286 2.273 20 0 BEADMN COc1cc(CNCc2scnc2C)ccn1 ZINC000088869981 383927087 /nfs/dbraw/zinc/92/70/87/383927087.db2.gz XOFTYGNKSGOEET-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000647147520 383883084 /nfs/dbraw/zinc/88/30/84/383883084.db2.gz SWBDEAYHSQAGPY-BBBLOLIVSA-N 0 1 221.304 2.398 20 0 BEADMN C1[C@H](c2nc([C@H]3CCCN3)no2)C12CCC2 ZINC000647147965 383887944 /nfs/dbraw/zinc/88/79/44/383887944.db2.gz CCVHOIGYTDUZIR-RKDXNWHRSA-N 0 1 219.288 2.152 20 0 BEADMN CC[C@H](CO)N(C)Cc1cc(F)ccc1F ZINC000293841266 383888367 /nfs/dbraw/zinc/88/83/67/383888367.db2.gz IXYYZXNWFWZPND-LLVKDONJSA-N 0 1 229.270 2.168 20 0 BEADMN CCOCCN[C@H](C)c1nc2ccccc2n1C ZINC000036228800 383891113 /nfs/dbraw/zinc/89/11/13/383891113.db2.gz ZFGNAFLKVUTSGV-LLVKDONJSA-N 0 1 247.342 2.260 20 0 BEADMN CC[C@@H](NCc1csc(C)n1)[C@@H](O)CC ZINC000313142265 383933588 /nfs/dbraw/zinc/93/35/88/383933588.db2.gz IKKYRBQYIVFSNF-MNOVXSKESA-N 0 1 228.361 2.091 20 0 BEADMN C[C@H](c1ccco1)c1nc([C@@H]2CCCN2)no1 ZINC000647148622 383894778 /nfs/dbraw/zinc/89/47/78/383894778.db2.gz SFQAJODTFAYJMN-BDAKNGLRSA-N 0 1 233.271 2.239 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@@H]1CCCCO1 ZINC000066864546 383895216 /nfs/dbraw/zinc/89/52/16/383895216.db2.gz MVEVJRJCLGPPQK-STQMWFEESA-N 0 1 234.343 2.434 20 0 BEADMN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000335740255 383896359 /nfs/dbraw/zinc/89/63/59/383896359.db2.gz YYIZBLRQMPXOFB-NWDGAFQWSA-N 0 1 208.280 2.370 20 0 BEADMN C1=C[C@H](Cc2nc([C@@H]3CCCN3)no2)CC1 ZINC000647148553 383897369 /nfs/dbraw/zinc/89/73/69/383897369.db2.gz PWJSSPPMXYYHIT-UWVGGRQHSA-N 0 1 219.288 2.003 20 0 BEADMN Cc1ccc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000335750424 383902076 /nfs/dbraw/zinc/90/20/76/383902076.db2.gz YYIZBLRQMPXOFB-NEPJUHHUSA-N 0 1 208.280 2.370 20 0 BEADMN CC(C)CO[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647153306 383979120 /nfs/dbraw/zinc/97/91/20/383979120.db2.gz ZBINIYZLOIUMIR-ZJUUUORDSA-N 0 1 239.319 2.228 20 0 BEADMN COc1ncncc1CNCC1=CCCCC1 ZINC000647214463 383986942 /nfs/dbraw/zinc/98/69/42/383986942.db2.gz ZULFYTZJFOZECE-UHFFFAOYSA-N 0 1 233.315 2.075 20 0 BEADMN CN(Cc1ccccn1)C[C@@H](O)c1ccccc1 ZINC000037694039 383996877 /nfs/dbraw/zinc/99/68/77/383996877.db2.gz JPOHWKBBAOGRNI-OAHLLOKOSA-N 0 1 242.322 2.247 20 0 BEADMN CCc1ccc(CNCc2ccnn2C)s1 ZINC000067693026 383936396 /nfs/dbraw/zinc/93/63/96/383936396.db2.gz MXZJXIHESWNGET-UHFFFAOYSA-N 0 1 235.356 2.334 20 0 BEADMN Cc1cc(CNCc2ccc(C)cc2)n(C)n1 ZINC000089182421 383941030 /nfs/dbraw/zinc/94/10/30/383941030.db2.gz XCRXTNARSRRIHH-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2C)cn1 ZINC000334295372 383946782 /nfs/dbraw/zinc/94/67/82/383946782.db2.gz WHWHIJBBOROXQV-NSHDSACASA-N 0 1 205.305 2.159 20 0 BEADMN CC[C@@H](COC)N[C@H](C)c1nccs1 ZINC000070634047 383947293 /nfs/dbraw/zinc/94/72/93/383947293.db2.gz LXESLTSOORPBHG-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnn[n-]1 ZINC000401762715 383957736 /nfs/dbraw/zinc/95/77/36/383957736.db2.gz SPXBMEJJQIBSAI-WDEREUQCSA-N 0 1 222.336 2.111 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@H](C)c1nccs1 ZINC000313165436 383974614 /nfs/dbraw/zinc/97/46/14/383974614.db2.gz SNBXTSWSKMRBFC-UTLUCORTSA-N 0 1 228.361 2.343 20 0 BEADMN CC(C)c1cc(-c2nc([C@H]3CCCN3)no2)n[nH]1 ZINC000647152632 383976346 /nfs/dbraw/zinc/97/63/46/383976346.db2.gz JYRJEHUESVUJQE-MRVPVSSYSA-N 0 1 247.302 2.008 20 0 BEADMN C[C@@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000078344724 384018671 /nfs/dbraw/zinc/01/86/71/384018671.db2.gz RQZYUYOFCCZBJS-RYUDHWBXSA-N 0 1 205.301 2.468 20 0 BEADMN FCC1(NCc2cccc3nccn32)CCC1 ZINC000647254918 384006756 /nfs/dbraw/zinc/00/67/56/384006756.db2.gz ONHIESWIYFOHPY-UHFFFAOYSA-N 0 1 233.290 2.316 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000518560469 384009301 /nfs/dbraw/zinc/00/93/01/384009301.db2.gz ADHLDWOQDWZHGD-CYZMBNFOSA-N 0 1 240.391 2.268 20 0 BEADMN CC1(C)CCCCN(C(=O)c2ccn[nH]2)C1 ZINC000335851201 384010565 /nfs/dbraw/zinc/01/05/65/384010565.db2.gz GAUHXSQSRKPFEL-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN COC[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000075765633 384049850 /nfs/dbraw/zinc/04/98/50/384049850.db2.gz RZXNBUCHRJMTAP-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN Cc1ccc(C(=O)NCc2cn[nH]c2C)s1 ZINC000037990287 384050014 /nfs/dbraw/zinc/05/00/14/384050014.db2.gz MRDMJKHZILISFG-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN CN(Cc1cccc(Cl)n1)C[C@@H]1CCCO1 ZINC000075641423 384051076 /nfs/dbraw/zinc/05/10/76/384051076.db2.gz UUIOWHAJSWJGFK-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN Cc1[nH]ncc1CNc1ccc(Cl)cn1 ZINC000038011938 384053738 /nfs/dbraw/zinc/05/37/38/384053738.db2.gz FGIUCGXTOXKUDX-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN c1nc(N[C@H]2CCCOC2)cc2c1CCC2 ZINC000334514894 384029242 /nfs/dbraw/zinc/02/92/42/384029242.db2.gz IEMRNOJHBKRSOW-LBPRGKRZSA-N 0 1 218.300 2.161 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])[C@H](C)C1 ZINC000644906113 384032386 /nfs/dbraw/zinc/03/23/86/384032386.db2.gz RVYZLCNFJARAHE-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])[C@H](C)C1 ZINC000644906113 384032391 /nfs/dbraw/zinc/03/23/91/384032391.db2.gz RVYZLCNFJARAHE-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1nnc(CN2CC[C@@]3(CC[C@H](C)C3)C2)n1C ZINC000336511910 384035351 /nfs/dbraw/zinc/03/53/51/384035351.db2.gz XFGGHCNIGKMXJY-SMDDNHRTSA-N 0 1 248.374 2.136 20 0 BEADMN CCN(CCO)Cc1ccc(Cl)s1 ZINC000049754623 384038983 /nfs/dbraw/zinc/03/89/83/384038983.db2.gz HXKNXFIDPXNLCJ-UHFFFAOYSA-N 0 1 219.737 2.216 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H](F)C1 ZINC000569467709 384086512 /nfs/dbraw/zinc/08/65/12/384086512.db2.gz LJPACRONMQRMOP-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)CN1[C@@H]1CCOC1=O ZINC000115552462 384086786 /nfs/dbraw/zinc/08/67/86/384086786.db2.gz IHSFITWTCVHLFX-KWCYVHTRSA-N 0 1 245.322 2.180 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CC3CCC2CC3)[nH]1 ZINC000560316289 384061083 /nfs/dbraw/zinc/06/10/83/384061083.db2.gz MUUKWQSPUZVRPC-UDNWOFFPSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CC3CCC2CC3)n1 ZINC000560316289 384061090 /nfs/dbraw/zinc/06/10/90/384061090.db2.gz MUUKWQSPUZVRPC-UDNWOFFPSA-N 0 1 248.330 2.132 20 0 BEADMN Cc1cnc(CN2CCC3(CC3)CC2)o1 ZINC000363459730 384061437 /nfs/dbraw/zinc/06/14/37/384061437.db2.gz QSAHVTQOTXGWLK-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CC3CCC2CC3)[nH]1 ZINC000560316287 384063017 /nfs/dbraw/zinc/06/30/17/384063017.db2.gz MUUKWQSPUZVRPC-RTBKNWGFSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CC3CCC2CC3)n1 ZINC000560316287 384063024 /nfs/dbraw/zinc/06/30/24/384063024.db2.gz MUUKWQSPUZVRPC-RTBKNWGFSA-N 0 1 248.330 2.132 20 0 BEADMN CCOC(=O)CN(CC)CC1CCCC1 ZINC000049949558 384071252 /nfs/dbraw/zinc/07/12/52/384071252.db2.gz IDXZEOCBVZWDAH-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CCCC[N@@H+](CCO)Cc1ccc(C)o1 ZINC000050106163 384107988 /nfs/dbraw/zinc/10/79/88/384107988.db2.gz VIEZZAYHNDEQHH-UHFFFAOYSA-N 0 1 211.305 2.182 20 0 BEADMN CC(=O)c1cc(C[N@H+](CC2CC2)C(C)C)on1 ZINC000569495105 384118407 /nfs/dbraw/zinc/11/84/07/384118407.db2.gz BHLXJSCKFMSPSX-UHFFFAOYSA-N 0 1 236.315 2.498 20 0 BEADMN CC(=O)c1cc(CN(CC2CC2)C(C)C)on1 ZINC000569495105 384118415 /nfs/dbraw/zinc/11/84/15/384118415.db2.gz BHLXJSCKFMSPSX-UHFFFAOYSA-N 0 1 236.315 2.498 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1ncc(C)s1 ZINC000309479629 384094040 /nfs/dbraw/zinc/09/40/40/384094040.db2.gz SQCXHGBNZUVTDP-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@H](N[C@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070733256 384133406 /nfs/dbraw/zinc/13/34/06/384133406.db2.gz BUZJDGNTWJABAY-GUBZILKMSA-N 0 1 226.345 2.097 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000092017574 384158083 /nfs/dbraw/zinc/15/80/83/384158083.db2.gz WDQXGURKLAPIKE-CHWSQXEVSA-N 0 1 249.354 2.442 20 0 BEADMN CCc1cnc(CN2CCC[C@]2(C)CO)s1 ZINC000530495449 384155809 /nfs/dbraw/zinc/15/58/09/384155809.db2.gz LRXYDNSHTODQDT-GFCCVEGCSA-N 0 1 240.372 2.052 20 0 BEADMN Cc1ccncc1CCCN1CC[C@H](F)C1 ZINC000449392090 384157574 /nfs/dbraw/zinc/15/75/74/384157574.db2.gz IVBXBNMRMROMTF-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN c1nc(C[N@H+]2CCOCC3(CCC3)C2)cs1 ZINC000336579085 384172508 /nfs/dbraw/zinc/17/25/08/384172508.db2.gz AIBPLUJJBYOUMF-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN c1nc(CN2CCOCC3(CCC3)C2)cs1 ZINC000336579085 384172512 /nfs/dbraw/zinc/17/25/12/384172512.db2.gz AIBPLUJJBYOUMF-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN Cc1csc(CNC[C@@H]2CCC=CO2)n1 ZINC000050269435 384173819 /nfs/dbraw/zinc/17/38/19/384173819.db2.gz XTLPKXDCXDDHMJ-JTQLQIEISA-N 0 1 224.329 2.234 20 0 BEADMN Cc1ccc(CNCC[S@](=O)C(C)(C)C)o1 ZINC000116921547 384160300 /nfs/dbraw/zinc/16/03/00/384160300.db2.gz IDBOHBQWBSXDGU-MRXNPFEDSA-N 0 1 243.372 2.225 20 0 BEADMN COC[C@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000081053728 384178303 /nfs/dbraw/zinc/17/83/03/384178303.db2.gz VSVAZVWNEZGTID-NSHDSACASA-N 0 1 240.734 2.203 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)C[C@H](C)O1 ZINC000092487101 384182219 /nfs/dbraw/zinc/18/22/19/384182219.db2.gz QHCCZLYKDSGDBH-AAEUAGOBSA-N 0 1 222.332 2.024 20 0 BEADMN C[C@H]1SCCN(Cc2ccccn2)[C@H]1C ZINC000118533538 384201241 /nfs/dbraw/zinc/20/12/41/384201241.db2.gz JWVCMPUDKJJLIF-WDEREUQCSA-N 0 1 222.357 2.407 20 0 BEADMN C[C@H]1SCCN(Cc2cccnc2)[C@@H]1C ZINC000118533547 384201553 /nfs/dbraw/zinc/20/15/53/384201553.db2.gz BUSVYWGLSLBPAH-GHMZBOCLSA-N 0 1 222.357 2.407 20 0 BEADMN CN(C)CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000117986651 384187192 /nfs/dbraw/zinc/18/71/92/384187192.db2.gz AOTBJIGDBNZYIP-HNNXBMFYSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC000520893543 384198995 /nfs/dbraw/zinc/19/89/95/384198995.db2.gz XIFYYUUKOQVLMT-PWSUYJOCSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC000520893543 384198998 /nfs/dbraw/zinc/19/89/98/384198998.db2.gz XIFYYUUKOQVLMT-PWSUYJOCSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000163661683 384209043 /nfs/dbraw/zinc/20/90/43/384209043.db2.gz HQTHMMBWULDTMM-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccc([C@H](C)[N@@H+](C)CC(=O)[O-])cc1 ZINC000082249560 384220243 /nfs/dbraw/zinc/22/02/43/384220243.db2.gz PGRISZKPHHWOGR-JTQLQIEISA-N 0 1 207.273 2.072 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCN2C)c(C)c1 ZINC000082322521 384222303 /nfs/dbraw/zinc/22/23/03/384222303.db2.gz SOVYUSZSNUDVIN-CYBMUJFWSA-N 0 1 232.327 2.336 20 0 BEADMN CCOCCN[C@](C)(CC)c1nccs1 ZINC000173514174 384223994 /nfs/dbraw/zinc/22/39/94/384223994.db2.gz JJWOEMKRCMGFAM-LLVKDONJSA-N 0 1 228.361 2.394 20 0 BEADMN CC1=CCN(Cc2cc(CO)ccc2F)CC1 ZINC000528419189 384224458 /nfs/dbraw/zinc/22/44/58/384224458.db2.gz BKMYANZFUOXSPJ-UHFFFAOYSA-N 0 1 235.302 2.470 20 0 BEADMN CC(C)C[C@@H]1COCCN1Cc1cccn1C ZINC000093340338 384229366 /nfs/dbraw/zinc/22/93/66/384229366.db2.gz MHAHTGJWZQSBDA-CQSZACIVSA-N 0 1 236.359 2.272 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1csc2ccccc12 ZINC000082579798 384243131 /nfs/dbraw/zinc/24/31/31/384243131.db2.gz CQLKEAAMNGEXAP-UHFFFAOYSA-N 0 1 235.308 2.418 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H](C)c1nccs1 ZINC000133359361 384245759 /nfs/dbraw/zinc/24/57/59/384245759.db2.gz CUUYTYUKGPYOGO-DJLDLDEBSA-N 0 1 214.334 2.217 20 0 BEADMN Cc1nn(C)cc1CN1CCS[C@H](C)[C@@H]1C ZINC000093499619 384245962 /nfs/dbraw/zinc/24/59/62/384245962.db2.gz LQINHSOGMVEEOI-WDEREUQCSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(F)c1 ZINC000158563593 384247357 /nfs/dbraw/zinc/24/73/57/384247357.db2.gz VQDFDGOQCBQXGO-QFYYESIMSA-N 0 1 243.347 2.025 20 0 BEADMN CN(CCc1nccs1)Cc1ccco1 ZINC000093843718 384277167 /nfs/dbraw/zinc/27/71/67/384277167.db2.gz ATLSDLDPAGJONP-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN COC[C@H]1CN(Cc2ccc(C)cc2C)CCO1 ZINC000093528846 384248745 /nfs/dbraw/zinc/24/87/45/384248745.db2.gz WDYSBDQCEWHPLK-OAHLLOKOSA-N 0 1 249.354 2.151 20 0 BEADMN CN(C)c1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000093845684 384277838 /nfs/dbraw/zinc/27/78/38/384277838.db2.gz ZVPPHQOJCBKPBX-UHFFFAOYSA-N 0 1 244.342 2.108 20 0 BEADMN Cc1n[nH]cc1CNCc1ccsc1C ZINC000294045225 384267515 /nfs/dbraw/zinc/26/75/15/384267515.db2.gz IZKHLSOHALAMLK-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336629913 384268084 /nfs/dbraw/zinc/26/80/84/384268084.db2.gz WRZOYZOCDTZUOS-JSGCOSHPSA-N 0 1 249.358 2.027 20 0 BEADMN NCc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)co1 ZINC000187514731 384271468 /nfs/dbraw/zinc/27/14/68/384271468.db2.gz QZTYHVAXMGKKIL-ZWNOBZJWSA-N 0 1 248.326 2.143 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)ccc2F)CO1 ZINC000335426304 384272411 /nfs/dbraw/zinc/27/24/11/384272411.db2.gz STWLOWUDAXELBR-KCJUWKMLSA-N 0 1 227.254 2.232 20 0 BEADMN C(=C\c1ccccc1)\CN1CC2(C1)CCOC2 ZINC000560638437 384273063 /nfs/dbraw/zinc/27/30/63/384273063.db2.gz MYBKWGSBQGRCCC-DAXSKMNVSA-N 0 1 229.323 2.422 20 0 BEADMN CCc1ccc(CN(CC)[C@@H]2CCOC2)o1 ZINC000361235535 384304227 /nfs/dbraw/zinc/30/42/27/384304227.db2.gz CDKQFRZEXOMTQX-LLVKDONJSA-N 0 1 223.316 2.453 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000426889147 384304536 /nfs/dbraw/zinc/30/45/36/384304536.db2.gz CXCSFJBXVHTBHY-WCQYABFASA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@](C)(O)CN[C@@H](C)c1csc(C)n1 ZINC000083462004 384306081 /nfs/dbraw/zinc/30/60/81/384306081.db2.gz ZZQDWMJLPGIFNM-KWQFWETISA-N 0 1 228.361 2.263 20 0 BEADMN CC(C)CO[C@H]1CCN(Cc2cccnc2)C1 ZINC000119948563 384319341 /nfs/dbraw/zinc/31/93/41/384319341.db2.gz BJLYUKRYYPODCJ-AWEZNQCLSA-N 0 1 234.343 2.329 20 0 BEADMN CC[C@H](C)NC(=O)CN1CCC(C(C)C)CC1 ZINC000173859347 384281066 /nfs/dbraw/zinc/28/10/66/384281066.db2.gz LZDHQMDHHNRNMB-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000304414649 384288416 /nfs/dbraw/zinc/28/84/16/384288416.db2.gz QDOQAPCHDTZKMF-SKDRFNHKSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCCCF)C1CCC1 ZINC000516787373 384288803 /nfs/dbraw/zinc/28/88/03/384288803.db2.gz UFLDPGFWVITEHI-SNVBAGLBSA-N 0 1 231.311 2.454 20 0 BEADMN C[C@@H](N[C@@H](C)CCn1cccn1)C(C)(F)F ZINC000449412695 384297213 /nfs/dbraw/zinc/29/72/13/384297213.db2.gz GGRWYTFNJLBWGP-VHSXEESVSA-N 0 1 231.290 2.295 20 0 BEADMN COC[C@H]1CN(Cc2ccccc2C)C[C@@H](C)O1 ZINC000251985607 384300498 /nfs/dbraw/zinc/30/04/98/384300498.db2.gz VQJGXCCLTFFUGU-UKRRQHHQSA-N 0 1 249.354 2.231 20 0 BEADMN CC(C)Cn1nccc1CN1CCCC1 ZINC000647169633 384344853 /nfs/dbraw/zinc/34/48/53/384344853.db2.gz UZIPHQCEIFTERV-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H](CCO)C(C)C)o1 ZINC000330364061 384363960 /nfs/dbraw/zinc/36/39/60/384363960.db2.gz CRMACULQLJXQRE-QWRGUYRKSA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@H](C[NH2+]Cc1ccco1)N1CCCC1 ZINC000120594529 384364209 /nfs/dbraw/zinc/36/42/09/384364209.db2.gz AHFKXNJALQYXLN-GFCCVEGCSA-N 0 1 222.332 2.244 20 0 BEADMN CS[C@@H]1CCCCN(Cc2ncc[nH]2)C1 ZINC000134571417 384367638 /nfs/dbraw/zinc/36/76/38/384367638.db2.gz DDEXZNKWQAIADU-SNVBAGLBSA-N 0 1 225.361 2.127 20 0 BEADMN C[C@@H]1CC[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000174466222 384330807 /nfs/dbraw/zinc/33/08/07/384330807.db2.gz WNPPLLPETLJVAQ-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN COC[C@H](C)N1CCc2ccc(F)cc2C1 ZINC000134098522 384331589 /nfs/dbraw/zinc/33/15/89/384331589.db2.gz CKFBJKIYGDMQTP-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN C[C@H](O)CC[N@@H+](C)CCc1c(F)cccc1F ZINC000402006201 384393221 /nfs/dbraw/zinc/39/32/21/384393221.db2.gz AFNKWWYSAQZWNI-JTQLQIEISA-N 0 1 243.297 2.210 20 0 BEADMN CC(C)n1cc(CN2CC[C@H]2C2CC2)cn1 ZINC000449430107 384394644 /nfs/dbraw/zinc/39/46/44/384394644.db2.gz WIVYFKPZQULYGG-ZDUSSCGKSA-N 0 1 219.332 2.448 20 0 BEADMN CCCc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000359702315 384416457 /nfs/dbraw/zinc/41/64/57/384416457.db2.gz YENLVPQEQDPASF-UHFFFAOYSA-N 0 1 243.310 2.292 20 0 BEADMN Nc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cn1 ZINC000647512774 384417862 /nfs/dbraw/zinc/41/78/62/384417862.db2.gz AKIXZDWXVKITEX-CYBMUJFWSA-N 0 1 242.326 2.159 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000361313698 384376526 /nfs/dbraw/zinc/37/65/26/384376526.db2.gz NRSKUSAJQKJPTM-XGUBFFRZSA-N 0 1 229.323 2.406 20 0 BEADMN Cc1ccncc1CN[C@@H](CO)c1ccccc1 ZINC000135460149 384445900 /nfs/dbraw/zinc/44/59/00/384445900.db2.gz KICBVCJCSJWHLW-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000516799385 384453840 /nfs/dbraw/zinc/45/38/40/384453840.db2.gz VRUAMKKCLNXSOB-JOYOIKCWSA-N 0 1 247.342 2.134 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H](C)C2(C)CC2)n1 ZINC000122103668 384456928 /nfs/dbraw/zinc/45/69/28/384456928.db2.gz IQWCFPIYIANUKS-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H](C)C2(C)CC2)n1 ZINC000122103668 384456932 /nfs/dbraw/zinc/45/69/32/384456932.db2.gz IQWCFPIYIANUKS-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000122103668 384456936 /nfs/dbraw/zinc/45/69/36/384456936.db2.gz IQWCFPIYIANUKS-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CN(Cc1cccc(F)c1F)CC(C)(C)O ZINC000078727936 384460336 /nfs/dbraw/zinc/46/03/36/384460336.db2.gz BBXFDWMEVNETRU-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CCC[C@@](C)(N)c1nc(C(C)(C)C)no1 ZINC000036865053 384461940 /nfs/dbraw/zinc/46/19/40/384461940.db2.gz JEFCFDDJXAWAMO-LLVKDONJSA-N 0 1 211.309 2.341 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000036914409 384465062 /nfs/dbraw/zinc/46/50/62/384465062.db2.gz AJPYPTMYTHHTLS-HTQZYQBOSA-N 0 1 214.334 2.137 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC2OCCO2)cc1 ZINC000122203367 384465823 /nfs/dbraw/zinc/46/58/23/384465823.db2.gz KQUPEIBEDCBZQX-LBPRGKRZSA-N 0 1 235.327 2.361 20 0 BEADMN C[C@H](NCCc1cccnc1)c1cscn1 ZINC000161153157 384469109 /nfs/dbraw/zinc/46/91/09/384469109.db2.gz ZZRUKUIOVMXIJT-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccc(Cl)o2)CO1 ZINC000335664298 384476337 /nfs/dbraw/zinc/47/63/37/384476337.db2.gz QDMKTXQNOITFPY-SFYZADRCSA-N 0 1 215.680 2.200 20 0 BEADMN C[C@H](NCCc1ccncc1)c1cscn1 ZINC000161226705 384477481 /nfs/dbraw/zinc/47/74/81/384477481.db2.gz XXUDLLIHUGRYBN-JTQLQIEISA-N 0 1 233.340 2.431 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1nc2ccccc2o1 ZINC000335694840 384486489 /nfs/dbraw/zinc/48/64/89/384486489.db2.gz MAWCAESRIDIYHU-GHMZBOCLSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000251118115 384487027 /nfs/dbraw/zinc/48/70/27/384487027.db2.gz QJGBMJXDYVRNGV-GHMZBOCLSA-N 0 1 221.300 2.195 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(F)c(F)c1 ZINC000335694472 384488136 /nfs/dbraw/zinc/48/81/36/384488136.db2.gz CWKNJJWXWVQSCQ-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN CO[C@]1(C)CCCN(Cc2nccc(C)n2)CC1 ZINC000361422557 384515082 /nfs/dbraw/zinc/51/50/82/384515082.db2.gz MWYUTSFAZWKQLI-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CCC(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161722338 384518981 /nfs/dbraw/zinc/51/89/81/384518981.db2.gz JFQWYSRWUGOSLJ-VIFPVBQESA-N 0 1 237.347 2.202 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000566444566 384520366 /nfs/dbraw/zinc/52/03/66/384520366.db2.gz HXNRVTNMNSBVHW-WOPDTQHZSA-N 0 1 249.358 2.235 20 0 BEADMN COC(=O)c1cc(C[N@@H+](C)CC2CC2)oc1C ZINC000097475841 384524364 /nfs/dbraw/zinc/52/43/64/384524364.db2.gz RCPKFJGLFHUXAC-UHFFFAOYSA-N 0 1 237.299 2.216 20 0 BEADMN C[C@@H](NC(=O)c1ccc(F)cc1O)C1CC1 ZINC000123225787 384544250 /nfs/dbraw/zinc/54/42/50/384544250.db2.gz ZRPKHWJAHRCPGL-SSDOTTSWSA-N 0 1 223.247 2.060 20 0 BEADMN COC(=O)c1ccc(CN2CCC3(CCC3)C2)o1 ZINC000123265885 384544431 /nfs/dbraw/zinc/54/44/31/384544431.db2.gz KQTQDRZCHMXQAS-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN CCC[C@H](O)CNCc1c(F)cccc1F ZINC000123284128 384548499 /nfs/dbraw/zinc/54/84/99/384548499.db2.gz FCGLXYKGFQIHSS-VIFPVBQESA-N 0 1 229.270 2.215 20 0 BEADMN CCc1ccc(CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000172242218 384551695 /nfs/dbraw/zinc/55/16/95/384551695.db2.gz DNQIDGZOEPYDJI-CQSZACIVSA-N 0 1 246.354 2.089 20 0 BEADMN Cc1nccc(N2C[C@H](C)C[C@H](O)C2)c1Cl ZINC000334715486 384561309 /nfs/dbraw/zinc/56/13/09/384561309.db2.gz MKRNTUBQLMOHIL-SCZZXKLOSA-N 0 1 240.734 2.251 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccco1 ZINC000085590506 384539310 /nfs/dbraw/zinc/53/93/10/384539310.db2.gz PAUKUEONZOBGQR-JTQLQIEISA-N 0 1 204.273 2.469 20 0 BEADMN Cc1ccc(CN2CCCC[C@H]2C(N)=O)c(C)c1 ZINC000162048885 384562639 /nfs/dbraw/zinc/56/26/39/384562639.db2.gz URWIELXIVSGQNI-AWEZNQCLSA-N 0 1 246.354 2.143 20 0 BEADMN c1snnc1CNCC(C1CC1)C1CC1 ZINC000083894138 384541727 /nfs/dbraw/zinc/54/17/27/384541727.db2.gz NBYWCAKOEVRVHS-UHFFFAOYSA-N 0 1 223.345 2.064 20 0 BEADMN Cn1nncc1CN1CCC[C@H]1c1ccccc1 ZINC000123642500 384572717 /nfs/dbraw/zinc/57/27/17/384572717.db2.gz USROUISSOKNBDS-AWEZNQCLSA-N 0 1 242.326 2.152 20 0 BEADMN CCc1nnc(CNC[C@](C)(CC)OC)s1 ZINC000319901180 384573276 /nfs/dbraw/zinc/57/32/76/384573276.db2.gz QDBATTUMUWNMOW-NSHDSACASA-N 0 1 243.376 2.005 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363535076 384577009 /nfs/dbraw/zinc/57/70/09/384577009.db2.gz GOZGYPAZHDREME-CYBMUJFWSA-N 0 1 249.310 2.005 20 0 BEADMN CC[C@H](O)CN[C@H](C)c1c(F)cccc1F ZINC000162192858 384586001 /nfs/dbraw/zinc/58/60/01/384586001.db2.gz WNWAHKCJUPRCME-BDAKNGLRSA-N 0 1 229.270 2.386 20 0 BEADMN CCc1ccc([C@@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000184284880 384588509 /nfs/dbraw/zinc/58/85/09/384588509.db2.gz HDKFQPJSEOYKDX-LYGAQUJYSA-N 0 1 243.372 2.260 20 0 BEADMN Cc1ccc([C@@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000184283207 384588677 /nfs/dbraw/zinc/58/86/77/384588677.db2.gz JCENVBNZNXBVSS-FFIJEWMLSA-N 0 1 229.345 2.006 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1cccnc1Cl ZINC000276899806 384563765 /nfs/dbraw/zinc/56/37/65/384563765.db2.gz IYIWANKSOUJZTM-DTWKUNHWSA-N 0 1 228.723 2.421 20 0 BEADMN CC[C@@H]1COCCN1CCc1scnc1C ZINC000172545035 384606065 /nfs/dbraw/zinc/60/60/65/384606065.db2.gz PNLIUCWNNSCWNW-LLVKDONJSA-N 0 1 240.372 2.105 20 0 BEADMN Cc1cc(C(=O)N(C)CCc2cccs2)n[nH]1 ZINC000081299777 384612976 /nfs/dbraw/zinc/61/29/76/384612976.db2.gz HTYPVBDBTYPDDY-UHFFFAOYSA-N 0 1 249.339 2.094 20 0 BEADMN COC[C@@H](NC[C@@H]1CCCCO1)c1ccco1 ZINC000184530402 384615644 /nfs/dbraw/zinc/61/56/44/384615644.db2.gz PWDRGKBZPLGBHO-NWDGAFQWSA-N 0 1 239.315 2.126 20 0 BEADMN O[C@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000164238207 384630858 /nfs/dbraw/zinc/63/08/58/384630858.db2.gz QKUWCRSAJILFDD-QWRGUYRKSA-N 0 1 238.356 2.024 20 0 BEADMN CO[C@H](CC(C)C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000516657016 384598270 /nfs/dbraw/zinc/59/82/70/384598270.db2.gz SIYURFTXFVVPAG-GFCCVEGCSA-N 0 1 245.363 2.090 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3ccncc3)C2)no1 ZINC000517957453 384601067 /nfs/dbraw/zinc/60/10/67/384601067.db2.gz QAQPNONBRSFHRN-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C)c1 ZINC000082322622 384665132 /nfs/dbraw/zinc/66/51/32/384665132.db2.gz WUZHVOMWTQJROB-CYBMUJFWSA-N 0 1 232.327 2.336 20 0 BEADMN Cc1nc(CN(C)CC2CCOCC2)cs1 ZINC000171826343 384666894 /nfs/dbraw/zinc/66/68/94/384666894.db2.gz ZCBFVGBIZRZTGA-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN CN(Cc1ccc2ccccc2n1)[C@H]1CCOC1 ZINC000124694448 384667078 /nfs/dbraw/zinc/66/70/78/384667078.db2.gz WWZFBIHWWIJUFE-AWEZNQCLSA-N 0 1 242.322 2.456 20 0 BEADMN CC[N@H+]1CCC[C@@H](NC(=O)CCCC(C)C)C1 ZINC000448919290 384667400 /nfs/dbraw/zinc/66/74/00/384667400.db2.gz ZMYFTQZNXQHTOF-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CCN(C(=O)[C@H]1CCCN1C)c1cccc(C)c1 ZINC000082338850 384670325 /nfs/dbraw/zinc/67/03/25/384670325.db2.gz MGMJYNMHLQARED-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN Cc1ccnc(NCC[C@@H](O)C(F)(F)F)c1 ZINC000309861972 384673780 /nfs/dbraw/zinc/67/37/80/384673780.db2.gz MZMCMTNTSGEEDZ-MRVPVSSYSA-N 0 1 234.221 2.115 20 0 BEADMN Cn1cc(CNCc2cc(Cl)cs2)cn1 ZINC000086332574 384636417 /nfs/dbraw/zinc/63/64/17/384636417.db2.gz WPGPFRKTTYNQOA-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cs1 ZINC000086334801 384639946 /nfs/dbraw/zinc/63/99/46/384639946.db2.gz IRQDAQUIDACUSO-ZCFIWIBFSA-N 0 1 233.720 2.306 20 0 BEADMN CCOCCN[C@H](COC)c1ccc(CC)o1 ZINC000184778352 384648140 /nfs/dbraw/zinc/64/81/40/384648140.db2.gz WJBGQJKQILABAJ-GFCCVEGCSA-N 0 1 241.331 2.156 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885403 384650193 /nfs/dbraw/zinc/65/01/93/384650193.db2.gz SLEJESIGXFTSRR-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CC[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000041053007 384654013 /nfs/dbraw/zinc/65/40/13/384654013.db2.gz LFCDQDSCRLGADE-MRVPVSSYSA-N 0 1 209.293 2.311 20 0 BEADMN CC[C@H](O)[C@@H]1CCCCN1Cc1nccs1 ZINC000125514579 384724343 /nfs/dbraw/zinc/72/43/43/384724343.db2.gz VGWMRFFBWRAHQF-QWRGUYRKSA-N 0 1 240.372 2.269 20 0 BEADMN Cc1ccccc1C(C)(C)NC(=O)[C@H](C)N(C)C ZINC000647281638 384681443 /nfs/dbraw/zinc/68/14/43/384681443.db2.gz FOXRHPOZNWKHKE-LBPRGKRZSA-N 0 1 248.370 2.296 20 0 BEADMN C[C@H]1CN(Cc2cnc(N)s2)C[C@H](C)S1 ZINC000086766300 384681718 /nfs/dbraw/zinc/68/17/18/384681718.db2.gz SUADXRMWSHCNMS-YUMQZZPRSA-N 0 1 243.401 2.051 20 0 BEADMN C[C@H](NCCC(C)(F)F)c1nccn1C ZINC000357717015 384682785 /nfs/dbraw/zinc/68/27/85/384682785.db2.gz PTURMRMENOPATR-QMMMGPOBSA-N 0 1 217.263 2.116 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000444200690 384690199 /nfs/dbraw/zinc/69/01/99/384690199.db2.gz TYJJXUHQUPHKMN-CABZTGNLSA-N 0 1 236.315 2.047 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C)C[C@H](C)C2)[nH]1 ZINC000269832479 384692364 /nfs/dbraw/zinc/69/23/64/384692364.db2.gz JNPYFKLYHQLXTJ-UWVGGRQHSA-N 0 1 235.331 2.226 20 0 BEADMN CCC[C@H](CC)Nc1ncnc2[nH]cnc21 ZINC000050164819 384693450 /nfs/dbraw/zinc/69/34/50/384693450.db2.gz LVGGYLDJFHNVSI-QMMMGPOBSA-N 0 1 219.292 2.344 20 0 BEADMN COCc1nc(CN[C@@H]2C[C@@H](C)[C@@H]2C)cs1 ZINC000309892293 384694126 /nfs/dbraw/zinc/69/41/26/384694126.db2.gz DBDQYNLWKHEAAR-WCABBAIRSA-N 0 1 240.372 2.424 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@@H](C2CC2)C1 ZINC000336538930 384697901 /nfs/dbraw/zinc/69/79/01/384697901.db2.gz AMSALZHAYYTOIR-SNVBAGLBSA-N 0 1 249.285 2.403 20 0 BEADMN Cc1cccc(CCN[C@@H](C)c2ncnn2C)c1 ZINC000449276174 384704165 /nfs/dbraw/zinc/70/41/65/384704165.db2.gz BFEZMWIFCODYOZ-LBPRGKRZSA-N 0 1 244.342 2.017 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000173652123 384706870 /nfs/dbraw/zinc/70/68/70/384706870.db2.gz YCGQSIZEEPEUTK-CYBMUJFWSA-N 0 1 235.331 2.452 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC000300914519 384707289 /nfs/dbraw/zinc/70/72/89/384707289.db2.gz MFMTYIIMALRNRM-NSHDSACASA-N 0 1 215.337 2.465 20 0 BEADMN Cc1n[nH]c(C)c1CN[C@H]1CCC[C@H]1F ZINC000335931040 384716989 /nfs/dbraw/zinc/71/69/89/384716989.db2.gz FNCCMQCSMNYPDX-MNOVXSKESA-N 0 1 211.284 2.007 20 0 BEADMN CCc1ncc(CN[C@H](C)COC(C)C)o1 ZINC000449610568 384718282 /nfs/dbraw/zinc/71/82/82/384718282.db2.gz RIOZAHDBMRQROY-SNVBAGLBSA-N 0 1 226.320 2.140 20 0 BEADMN CCc1noc(CC)c1CN[C@H]1CO[C@H](C)C1 ZINC000647191220 384719639 /nfs/dbraw/zinc/71/96/39/384719639.db2.gz HXSDSZBEMCOJPZ-NXEZZACHSA-N 0 1 238.331 2.066 20 0 BEADMN CC(C)=CCNCc1cnc([C@@H](C)O)s1 ZINC000289591620 384774727 /nfs/dbraw/zinc/77/47/27/384774727.db2.gz IOKZMKUILJGDPH-SECBINFHSA-N 0 1 226.345 2.252 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)Cc2cnccn2)C1(C)C ZINC000557048275 384775806 /nfs/dbraw/zinc/77/58/06/384775806.db2.gz JWLRZPBIJPHCSK-OLZOCXBDSA-N 0 1 249.358 2.112 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)Cc2cnccn2)C1(C)C ZINC000557048274 384776380 /nfs/dbraw/zinc/77/63/80/384776380.db2.gz JWLRZPBIJPHCSK-CHWSQXEVSA-N 0 1 249.358 2.112 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000335948083 384733657 /nfs/dbraw/zinc/73/36/57/384733657.db2.gz YRCYCTCKNXLFKQ-RYUDHWBXSA-N 0 1 232.327 2.082 20 0 BEADMN C[C@@](N)(C(=O)NCC1CCCC1)c1ccccc1 ZINC000052881484 384752155 /nfs/dbraw/zinc/75/21/55/384752155.db2.gz QBICVOZHMVVAQT-HNNXBMFYSA-N 0 1 246.354 2.167 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052883036 384752983 /nfs/dbraw/zinc/75/29/83/384752983.db2.gz IFKHGDJUUGAFLK-HNNXBMFYSA-N 0 1 248.370 2.365 20 0 BEADMN Cc1nnc(CN2[C@H](C)CCC[C@H]2C)o1 ZINC000108864641 384754588 /nfs/dbraw/zinc/75/45/88/384754588.db2.gz GPFUVYPNUCRPHW-RKDXNWHRSA-N 0 1 209.293 2.141 20 0 BEADMN CCN(CC)C(=O)CN(C)CCc1ccccc1 ZINC000053065931 384762445 /nfs/dbraw/zinc/76/24/45/384762445.db2.gz KAJDVQLKOIVMHB-UHFFFAOYSA-N 0 1 248.370 2.029 20 0 BEADMN C[C@@H](NCCC(C)(F)F)c1cnccn1 ZINC000294340329 384770021 /nfs/dbraw/zinc/77/00/21/384770021.db2.gz YKRBKEWJFIGZSM-MRVPVSSYSA-N 0 1 215.247 2.173 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000083839787 384772858 /nfs/dbraw/zinc/77/28/58/384772858.db2.gz KRHLFTDMUDYVNL-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(Cl)nc1 ZINC000104233701 384815841 /nfs/dbraw/zinc/81/58/41/384815841.db2.gz BXGMOUIOBKGDMC-UHFFFAOYSA-N 0 1 241.722 2.014 20 0 BEADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccco1 ZINC000309770398 384818864 /nfs/dbraw/zinc/81/88/64/384818864.db2.gz OLQREIPEYOIMOH-VXNVDRBHSA-N 0 1 237.221 2.244 20 0 BEADMN COC(=O)[C@]1(C)CCCN1[C@H]1C=CCCC1 ZINC000186325771 384835597 /nfs/dbraw/zinc/83/55/97/384835597.db2.gz VLBMYUZKGITICV-AAEUAGOBSA-N 0 1 223.316 2.123 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1CC12CC2 ZINC000564430107 384785603 /nfs/dbraw/zinc/78/56/03/384785603.db2.gz VVPUBJLHBBNFBS-SNVBAGLBSA-N 0 1 247.342 2.371 20 0 BEADMN Cc1cc(C(=O)N2CCC(C(C)C)CC2)n[nH]1 ZINC000174495167 384796835 /nfs/dbraw/zinc/79/68/35/384796835.db2.gz YOXRQPJRVOQEIX-UHFFFAOYSA-N 0 1 235.331 2.226 20 0 BEADMN CN(Cc1ccco1)Cc1ccc(CO)cc1 ZINC000163407885 384800180 /nfs/dbraw/zinc/80/01/80/384800180.db2.gz FZBDGACWXSXOBB-UHFFFAOYSA-N 0 1 231.295 2.404 20 0 BEADMN CCC(C)(C)OCCNCc1cc(C)no1 ZINC000308551690 384800959 /nfs/dbraw/zinc/80/09/59/384800959.db2.gz XXJDBFOCGKMWEP-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000087474454 384800949 /nfs/dbraw/zinc/80/09/49/384800949.db2.gz IMRDRCWZHDBNNN-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](N[C@@H]1CCCOC1)c1cc2n(n1)CCCC2 ZINC000647288919 384807216 /nfs/dbraw/zinc/80/72/16/384807216.db2.gz UXOGHONMZJULTH-NWDGAFQWSA-N 0 1 249.358 2.049 20 0 BEADMN CN(Cc1ccc(CO)cc1)Cc1cccnc1 ZINC000163447696 384807317 /nfs/dbraw/zinc/80/73/17/384807317.db2.gz FKCAUKAZXGGGEZ-UHFFFAOYSA-N 0 1 242.322 2.206 20 0 BEADMN CC(C)Cn1nccc1CN[C@H](C)c1cn[nH]c1 ZINC000647196787 384810515 /nfs/dbraw/zinc/81/05/15/384810515.db2.gz MOKABLBENCDDKH-LLVKDONJSA-N 0 1 247.346 2.113 20 0 BEADMN C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000053882415 384810565 /nfs/dbraw/zinc/81/05/65/384810565.db2.gz IVQALUNZIPPIEX-JSGCOSHPSA-N 0 1 237.318 2.419 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCCCC1 ZINC000163483490 384814095 /nfs/dbraw/zinc/81/40/95/384814095.db2.gz UMLHAKOPSICUNC-UHFFFAOYSA-N 0 1 223.247 2.157 20 0 BEADMN CC1(C)CCCC[C@@H]1CC(=O)N1CCNCC1 ZINC000236906232 384814408 /nfs/dbraw/zinc/81/44/08/384814408.db2.gz SSDHZZJMXPMTRA-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@@](C)(NCc1ccccc1Cl)C(N)=O ZINC000177128554 384876482 /nfs/dbraw/zinc/87/64/82/384876482.db2.gz JZNZUWFGDMBGOS-GFCCVEGCSA-N 0 1 240.734 2.084 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)nc1 ZINC000339752289 384884139 /nfs/dbraw/zinc/88/41/39/384884139.db2.gz WTHGDCMIUPXKSL-CQSZACIVSA-N 0 1 248.370 2.238 20 0 BEADMN C[C@@]1(C(=O)N2CCN3CCC2CC3)CC=CCC1 ZINC000336258863 384884652 /nfs/dbraw/zinc/88/46/52/384884652.db2.gz ZRSPSUQHRGAJKB-OAHLLOKOSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1noc(CN(CC2CC2)CC2CC2)n1 ZINC000115564467 384888060 /nfs/dbraw/zinc/88/80/60/384888060.db2.gz WYDPQHYGIXQTKA-UHFFFAOYSA-N 0 1 221.304 2.000 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000449907794 384843729 /nfs/dbraw/zinc/84/37/29/384843729.db2.gz PUVQORUPDRXQBN-CMPLNLGQSA-N 0 1 235.331 2.242 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1ccc(Cl)cc1 ZINC000174812239 384843673 /nfs/dbraw/zinc/84/36/73/384843673.db2.gz AFLRZGHRIVUTPJ-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN COC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000306281592 384854147 /nfs/dbraw/zinc/85/41/47/384854147.db2.gz XLCWWXHQOBKEEH-SSDOTTSWSA-N 0 1 214.696 2.490 20 0 BEADMN CC[C@@H](CC1CCCC1)C(=O)N1CCNCC1 ZINC000236937167 384854659 /nfs/dbraw/zinc/85/46/59/384854659.db2.gz YYLRYJFMXBAEOO-ZDUSSCGKSA-N 0 1 238.375 2.025 20 0 BEADMN COC(=O)[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000300014474 384857992 /nfs/dbraw/zinc/85/79/92/384857992.db2.gz KYTSNAPKGYMZSW-YRRQLQLVSA-N 0 1 239.359 2.352 20 0 BEADMN Cc1cc(C(=O)N(CC(C)C)CC(C)C)n[nH]1 ZINC000105319411 384862010 /nfs/dbraw/zinc/86/20/10/384862010.db2.gz KPNSABMZTRGVNG-UHFFFAOYSA-N 0 1 237.347 2.472 20 0 BEADMN C[N@@H+](CCc1ccccc1F)Cc1cnccn1 ZINC000186661723 384865597 /nfs/dbraw/zinc/86/55/97/384865597.db2.gz RLZAODAFZHSQKG-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CN(CCc1ccccc1F)Cc1cnccn1 ZINC000186661723 384865605 /nfs/dbraw/zinc/86/56/05/384865605.db2.gz RLZAODAFZHSQKG-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CO[C@@H](CNc1ccnc(C)c1Cl)C1CC1 ZINC000338777527 384950950 /nfs/dbraw/zinc/95/09/50/384950950.db2.gz NKSIVLMSIVXVPJ-NSHDSACASA-N 0 1 240.734 2.302 20 0 BEADMN CONC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175330519 384891990 /nfs/dbraw/zinc/89/19/90/384891990.db2.gz XJGNOACJCHYCNE-RXMQYKEDSA-N 0 1 219.693 2.183 20 0 BEADMN Cc1cc(CCNCc2csc(C)n2)on1 ZINC000309895027 384894841 /nfs/dbraw/zinc/89/48/41/384894841.db2.gz FPOPDWDWMRRFJM-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN Cc1ccnc(NCC[C@H](O)C(C)C)c1 ZINC000301615943 384904430 /nfs/dbraw/zinc/90/44/30/384904430.db2.gz BSDGIADPCXHUOZ-NSHDSACASA-N 0 1 208.305 2.209 20 0 BEADMN CN1CCN(C(=O)C2CCCCC2)CC1(C)C ZINC000559255382 384906029 /nfs/dbraw/zinc/90/60/29/384906029.db2.gz AHKHUIWAHYRQRB-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)COC[C@H](O)CN1Cc2ccccc2C1 ZINC000106304026 384908040 /nfs/dbraw/zinc/90/80/40/384908040.db2.gz SZQSASQDOKGKKQ-OAHLLOKOSA-N 0 1 249.354 2.036 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1csnn1 ZINC000307000766 384913595 /nfs/dbraw/zinc/91/35/95/384913595.db2.gz BTUCJGKQUFYJOJ-HLTSFMKQSA-N 0 1 211.334 2.377 20 0 BEADMN CCC1(NC(=O)c2ccc3[nH]nnc3c2)CCC1 ZINC000175462702 384913773 /nfs/dbraw/zinc/91/37/73/384913773.db2.gz PSUNVUSJXLNFIQ-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN C[C@@H]1C[C@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000449474263 384917658 /nfs/dbraw/zinc/91/76/58/384917658.db2.gz UJUKZGFTTYUOIO-SFYZADRCSA-N 0 1 245.248 2.241 20 0 BEADMN C[C@@H]1C[C@@H]1CNCc1ncc(C(F)(F)F)cn1 ZINC000449474261 384917900 /nfs/dbraw/zinc/91/79/00/384917900.db2.gz UJUKZGFTTYUOIO-HTQZYQBOSA-N 0 1 245.248 2.241 20 0 BEADMN Cn1cncc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000106478474 384921478 /nfs/dbraw/zinc/92/14/78/384921478.db2.gz VQAXGCATKBBYFR-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000312955418 384933291 /nfs/dbraw/zinc/93/32/91/384933291.db2.gz NMPSWRHOFCMLNF-QWRGUYRKSA-N 0 1 225.332 2.203 20 0 BEADMN CO[C@H]1CCCN(Cc2nc(C)c(C)o2)CC1 ZINC000371736046 384934081 /nfs/dbraw/zinc/93/40/81/384934081.db2.gz VNHNAWMWWVAVDG-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CN(Cc1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000106886584 384942408 /nfs/dbraw/zinc/94/24/08/384942408.db2.gz ILAKPHTUXPPNKC-JTQLQIEISA-N 0 1 227.254 2.186 20 0 BEADMN CC[C@@H](F)CN[C@@H](C)c1cnn(C)c1C ZINC000336760240 384960301 /nfs/dbraw/zinc/96/03/01/384960301.db2.gz LPTZDTSYGGJALI-WCBMZHEXSA-N 0 1 213.300 2.127 20 0 BEADMN Cn1ccnc1CN1CCC2(CCC2)CC1 ZINC000368600599 384967340 /nfs/dbraw/zinc/96/73/40/384967340.db2.gz CVPHGQZWYZYLPL-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000062134451 384969433 /nfs/dbraw/zinc/96/94/33/384969433.db2.gz CDASOARGJZOATM-SNVBAGLBSA-N 0 1 239.702 2.247 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1Cc1ncnn1C ZINC000177349581 384971576 /nfs/dbraw/zinc/97/15/76/384971576.db2.gz NBTYAGJMVCHQLC-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN CCOCCO[C@H]1CCN(C/C=C(/C)Cl)C1 ZINC000528417858 384980879 /nfs/dbraw/zinc/98/08/79/384980879.db2.gz AAEOYMMPXJUWTF-MCWZUMHDSA-N 0 1 247.766 2.256 20 0 BEADMN CCOCCO[C@H]1CCN(C/C=C(\C)Cl)C1 ZINC000528417859 384981026 /nfs/dbraw/zinc/98/10/26/384981026.db2.gz AAEOYMMPXJUWTF-QNCMIEPLSA-N 0 1 247.766 2.256 20 0 BEADMN CCC[C@@](C)(O)CN[C@H](C)c1nccs1 ZINC000129205821 384984456 /nfs/dbraw/zinc/98/44/56/384984456.db2.gz NOBUTLBPALKNGL-MWLCHTKSSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H](O)[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000644586534 384985773 /nfs/dbraw/zinc/98/57/73/384985773.db2.gz IRWSDMRKHDGKSX-QWRGUYRKSA-N 0 1 246.310 2.201 20 0 BEADMN C[C@H](O)[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291874615 385021995 /nfs/dbraw/zinc/02/19/95/385021995.db2.gz HSEQPYKADRBCAM-GVXVVHGQSA-N 0 1 234.343 2.234 20 0 BEADMN C[N@@H+](CCO)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361587483 384988194 /nfs/dbraw/zinc/98/81/94/384988194.db2.gz JUHYJJIKYPQATQ-IUCAKERBSA-N 0 1 225.254 2.032 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)sn1 ZINC000404426140 384991154 /nfs/dbraw/zinc/99/11/54/384991154.db2.gz ZCFHWTABLXFWAM-JQWIXIFHSA-N 0 1 240.372 2.044 20 0 BEADMN Cn1ccc(CNC[C@H]2CCCCC2(F)F)n1 ZINC000294141051 384992162 /nfs/dbraw/zinc/99/21/62/384992162.db2.gz GIWLUNQGBWECMG-SNVBAGLBSA-N 0 1 243.301 2.335 20 0 BEADMN C[C@H](C(=O)NCCC1CCCC1)N1CC(C)C1 ZINC000557517100 384994749 /nfs/dbraw/zinc/99/47/49/384994749.db2.gz DGEPSGTXYGYJOF-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(CNCc2ccc(CO)cc2)sn1 ZINC000404446376 385005525 /nfs/dbraw/zinc/00/55/25/385005525.db2.gz ADDFDDBAEVPHHH-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN Cc1cc(CNCc2ccnc(C)c2)sn1 ZINC000404464283 385012212 /nfs/dbraw/zinc/01/22/12/385012212.db2.gz UWLANGBHBDPEJE-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@@H]2C)[nH]1 ZINC000336307782 385013554 /nfs/dbraw/zinc/01/35/54/385013554.db2.gz CICSDEYTXPFICL-UWVGGRQHSA-N 0 1 222.336 2.124 20 0 BEADMN COC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000129911474 385014030 /nfs/dbraw/zinc/01/40/30/385014030.db2.gz IDMPTZJDOZWBBP-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCN(CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000058723454 385020749 /nfs/dbraw/zinc/02/07/49/385020749.db2.gz GAKHUHXDXHYCOM-LBPRGKRZSA-N 0 1 246.354 2.348 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(C)C[C@@H]1CC ZINC000647460439 385049778 /nfs/dbraw/zinc/04/97/78/385049778.db2.gz CFXQDHVHQMQKNP-WHGQRRHOSA-N 0 1 236.359 2.061 20 0 BEADMN CC[C@H]1C[N@@H+](C)CCN1C(=O)CCCC1CC1 ZINC000647462966 385050913 /nfs/dbraw/zinc/05/09/13/385050913.db2.gz HQUDETWLZJYYRN-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CCCC1CC1 ZINC000647462966 385050919 /nfs/dbraw/zinc/05/09/19/385050919.db2.gz HQUDETWLZJYYRN-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(C)(C)OCCNCc1snnc1C ZINC000308762577 385083809 /nfs/dbraw/zinc/08/38/09/385083809.db2.gz YTZFOMZLBDZDKU-UHFFFAOYSA-N 0 1 243.376 2.141 20 0 BEADMN CCCCCN1CCC[C@@H]1c1nncn1C ZINC000157037605 385053390 /nfs/dbraw/zinc/05/33/90/385053390.db2.gz AXCXTTPJHSLFJT-LLVKDONJSA-N 0 1 222.336 2.142 20 0 BEADMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000188473847 385056107 /nfs/dbraw/zinc/05/61/07/385056107.db2.gz XTRPJDYLWOISGM-NXEZZACHSA-N 0 1 240.372 2.266 20 0 BEADMN CC[C@H]1COCCN1CCc1ccccc1 ZINC000115577493 385062244 /nfs/dbraw/zinc/06/22/44/385062244.db2.gz ITHCCHWJGHBIDH-AWEZNQCLSA-N 0 1 219.328 2.340 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2nccs2)n1 ZINC000647134096 385065831 /nfs/dbraw/zinc/06/58/31/385065831.db2.gz AVLNHUFFKQLEAM-ZETCQYMHSA-N 0 1 238.316 2.239 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCNC[C@H]1CCC ZINC000359216859 385065802 /nfs/dbraw/zinc/06/58/02/385065802.db2.gz GGLHDVFBYFXLLO-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@H]2C(C)C)[nH]1 ZINC000359216911 385066463 /nfs/dbraw/zinc/06/64/63/385066463.db2.gz CDIXKIDPFBOURQ-LBPRGKRZSA-N 0 1 236.315 2.032 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]2C(C)C)[nH]1 ZINC000359216911 385066469 /nfs/dbraw/zinc/06/64/69/385066469.db2.gz CDIXKIDPFBOURQ-LBPRGKRZSA-N 0 1 236.315 2.032 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CCOC2)sc1C ZINC000176389419 385076898 /nfs/dbraw/zinc/07/68/98/385076898.db2.gz UIFQKWMMXZURLK-LLVKDONJSA-N 0 1 240.372 2.228 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CCOC2)sc1C ZINC000176389401 385077403 /nfs/dbraw/zinc/07/74/03/385077403.db2.gz UIFQKWMMXZURLK-NSHDSACASA-N 0 1 240.372 2.228 20 0 BEADMN C[C@H](O)CCN(C)Cc1cc(F)ccc1F ZINC000128424602 385034994 /nfs/dbraw/zinc/03/49/94/385034994.db2.gz ZAOANNLLLUDNDX-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccncc1 ZINC000358376614 385035247 /nfs/dbraw/zinc/03/52/47/385035247.db2.gz RYOAXCVDRPSFHI-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccc(F)c2N)C[C@H]1C ZINC000156397037 385039559 /nfs/dbraw/zinc/03/95/59/385039559.db2.gz IUJOLZXBQRAZFZ-AOOOYVTPSA-N 0 1 222.307 2.496 20 0 BEADMN C[C@H](NCc1nccs1)[C@]1(C)CCCO1 ZINC000340190838 385040980 /nfs/dbraw/zinc/04/09/80/385040980.db2.gz MKKJUYZBUOSWFO-ONGXEEELSA-N 0 1 226.345 2.190 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1cscn1 ZINC000647243804 385045279 /nfs/dbraw/zinc/04/52/79/385045279.db2.gz PDHXTWRZDGERBS-NXEZZACHSA-N 0 1 228.361 2.030 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(C)C[C@H]1CC ZINC000647460436 385047269 /nfs/dbraw/zinc/04/72/69/385047269.db2.gz CFXQDHVHQMQKNP-BWODNOAJSA-N 0 1 236.359 2.061 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(F)cc1 ZINC000059416251 385047245 /nfs/dbraw/zinc/04/72/45/385047245.db2.gz PCHHRRVZFXHOOK-UHFFFAOYSA-N 0 1 224.279 2.106 20 0 BEADMN CN(CCCF)Cc1ccc([S@](C)=O)cc1 ZINC000151466952 385114149 /nfs/dbraw/zinc/11/41/49/385114149.db2.gz QBQSUOUSOTYRMR-MRXNPFEDSA-N 0 1 243.347 2.215 20 0 BEADMN CN(CCCF)Cc1ccc([S@@](C)=O)cc1 ZINC000151467026 385114713 /nfs/dbraw/zinc/11/47/13/385114713.db2.gz QBQSUOUSOTYRMR-INIZCTEOSA-N 0 1 243.347 2.215 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C)[nH]c2c1 ZINC000646983492 385114874 /nfs/dbraw/zinc/11/48/74/385114874.db2.gz BANNUERZHRQLTR-IUCAKERBSA-N 0 1 229.283 2.466 20 0 BEADMN FCCNCc1ccc2ncccc2c1 ZINC000308794930 385116922 /nfs/dbraw/zinc/11/69/22/385116922.db2.gz JVSHDXVYNCXSFF-UHFFFAOYSA-N 0 1 204.248 2.294 20 0 BEADMN CCc1cc(C(=O)N(CC)C[C@@H](C)CC)n[nH]1 ZINC000176624854 385121730 /nfs/dbraw/zinc/12/17/30/385121730.db2.gz JQGUCYHNFBHTNE-JTQLQIEISA-N 0 1 237.347 2.480 20 0 BEADMN Cc1nc(CN[C@@H]2CCCSC2)cs1 ZINC000061589036 385127224 /nfs/dbraw/zinc/12/72/24/385127224.db2.gz KXKWEGSDDNOBEY-SECBINFHSA-N 0 1 228.386 2.437 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc2ccccc2n1C ZINC000189121410 385127904 /nfs/dbraw/zinc/12/79/04/385127904.db2.gz HXPFYRKONYTPFU-QWRGUYRKSA-N 0 1 247.342 2.086 20 0 BEADMN CN(CCCF)Cc1cc(Cl)cn1C ZINC000151822330 385136173 /nfs/dbraw/zinc/13/61/73/385136173.db2.gz VMHGIEYATHHIBV-UHFFFAOYSA-N 0 1 218.703 2.470 20 0 BEADMN C(C1CCCCCC1)N1CCO[C@@H]2C[C@@H]21 ZINC000644717056 385136595 /nfs/dbraw/zinc/13/65/95/385136595.db2.gz LYCDKRQHICHSOS-QWHCGFSZSA-N 0 1 209.333 2.430 20 0 BEADMN Cc1cc(CC(=O)NC2C[C@H](C)C[C@@H](C)C2)[nH]n1 ZINC000176431919 385086284 /nfs/dbraw/zinc/08/62/84/385086284.db2.gz HFQRITGSWWQZPX-NXEZZACHSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(CC(=O)NC2C[C@@H](C)C[C@H](C)C2)[nH]n1 ZINC000176431908 385086773 /nfs/dbraw/zinc/08/67/73/385086773.db2.gz HFQRITGSWWQZPX-UWVGGRQHSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@@H](C(=O)Nc1cscc1C)N(C)C ZINC000151185570 385093904 /nfs/dbraw/zinc/09/39/04/385093904.db2.gz VSDTXNXQGVHDCB-JTQLQIEISA-N 0 1 226.345 2.335 20 0 BEADMN CCN(CC)CC(=O)Nc1cscc1C ZINC000151283282 385099283 /nfs/dbraw/zinc/09/92/83/385099283.db2.gz SEVFWNFEECMPRI-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN Cc1occc1CN(C)CCOCC(F)F ZINC000188877703 385102131 /nfs/dbraw/zinc/10/21/31/385102131.db2.gz OLISCJXLJNSTLI-UHFFFAOYSA-N 0 1 233.258 2.302 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2CC23CC3)n1 ZINC000422554994 385103860 /nfs/dbraw/zinc/10/38/60/385103860.db2.gz ZCXWOMTUCLCAGN-RKDXNWHRSA-N 0 1 221.304 2.383 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCC[C@@H](C)CC2)[nH]n1 ZINC000188921096 385105526 /nfs/dbraw/zinc/10/55/26/385105526.db2.gz JJKFPZVAENSFIP-PWSUYJOCSA-N 0 1 249.358 2.346 20 0 BEADMN C[C@H](N[C@H](CO)c1ccccc1)c1ccncc1 ZINC000062999339 385199569 /nfs/dbraw/zinc/19/95/69/385199569.db2.gz MGUBPBZNDHKBPF-SWLSCSKDSA-N 0 1 242.322 2.466 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1 ZINC000294625652 385148638 /nfs/dbraw/zinc/14/86/38/385148638.db2.gz HHFRVFPXBJUGFZ-JQWIXIFHSA-N 0 1 247.342 2.369 20 0 BEADMN CC[C@H](F)CN1CCOC2(CCOCC2)CC1 ZINC000559727331 385148663 /nfs/dbraw/zinc/14/86/63/385148663.db2.gz PCWJNFFYBYXRSS-LBPRGKRZSA-N 0 1 245.338 2.006 20 0 BEADMN COc1cc(CN[C@@H](C)c2ccncc2)ccn1 ZINC000062057828 385155189 /nfs/dbraw/zinc/15/51/89/385155189.db2.gz MEEJITOHBNPUBS-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COC[C@H]1CN([C@@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000189397428 385155753 /nfs/dbraw/zinc/15/57/53/385155753.db2.gz WJGSVUHJPUFHHE-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN C[C@H](CCNC(=O)CN(C)C)CC(C)(C)C ZINC000189474842 385156738 /nfs/dbraw/zinc/15/67/38/385156738.db2.gz KLFVZYUDTJHZQN-LLVKDONJSA-N 0 1 228.380 2.127 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000176899904 385157370 /nfs/dbraw/zinc/15/73/70/385157370.db2.gz DFCYIMYARSCEME-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000176899904 385157373 /nfs/dbraw/zinc/15/73/73/385157373.db2.gz DFCYIMYARSCEME-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000176899904 385157382 /nfs/dbraw/zinc/15/73/82/385157382.db2.gz DFCYIMYARSCEME-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN CC[C@@H](N[C@@H]1CC12CC2)c1ccn(C)n1 ZINC000424315786 385157844 /nfs/dbraw/zinc/15/78/44/385157844.db2.gz DTWQRDNKUMEKLI-MWLCHTKSSA-N 0 1 205.305 2.013 20 0 BEADMN CC[C@H]1CN(CCCc2ccncc2)CCO1 ZINC000360436049 385159159 /nfs/dbraw/zinc/15/91/59/385159159.db2.gz GSMDXZWTLZVIPY-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN c1ncc(C[N@H+](C[C@@H]2CCOC2)C2CC2)s1 ZINC000129921953 385200855 /nfs/dbraw/zinc/20/08/55/385200855.db2.gz QJQAVOSQVSNVPD-JTQLQIEISA-N 0 1 238.356 2.144 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H]2CCC[C@H]2C1 ZINC000176986395 385165764 /nfs/dbraw/zinc/16/57/64/385165764.db2.gz IBDHDNUATKWJIM-QWRGUYRKSA-N 0 1 245.326 2.159 20 0 BEADMN CC[C@]1(CO)CCCN1Cc1csc(C)n1 ZINC000189667855 385177916 /nfs/dbraw/zinc/17/79/16/385177916.db2.gz JHRFGGNVBGVQLC-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1ccc([C@H](C)NCc2cnnn2C)s1 ZINC000129726976 385179715 /nfs/dbraw/zinc/17/97/15/385179715.db2.gz AKGHATSHYNWOQU-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN COCC(C)(C)NCc1nc(C)c(C)s1 ZINC000088594946 385210528 /nfs/dbraw/zinc/21/05/28/385210528.db2.gz VYBOPJNKJNCEAD-UHFFFAOYSA-N 0 1 228.361 2.275 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000648329679 385214870 /nfs/dbraw/zinc/21/48/70/385214870.db2.gz BPRONVIXCNJOJR-CKYFFXLPSA-N 0 1 249.358 2.407 20 0 BEADMN Cc1cc(CNC(=O)[C@]2(C)CCC[C@H]2C)n[nH]1 ZINC000648329685 385215728 /nfs/dbraw/zinc/21/57/28/385215728.db2.gz CFGBAIWVAIBKKL-NOZJJQNGSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@]2(C)CCC[C@@H]2C)n[nH]1 ZINC000648329687 385216719 /nfs/dbraw/zinc/21/67/19/385216719.db2.gz CFGBAIWVAIBKKL-TVQRCGJNSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(C)[nH]n1 ZINC000648329792 385216924 /nfs/dbraw/zinc/21/69/24/385216924.db2.gz ZAWKERJDIXZDBM-PWSUYJOCSA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)N(CC(=O)c1cccn1C)C1CCC1 ZINC000119782936 385225428 /nfs/dbraw/zinc/22/54/28/385225428.db2.gz RQKYIJCQRDRIMV-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN c1nc(CNc2ccc3c(n2)CCC3)co1 ZINC000294815319 385236866 /nfs/dbraw/zinc/23/68/66/385236866.db2.gz JXSRAOTZAPCAGW-UHFFFAOYSA-N 0 1 215.256 2.170 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045083902 385239842 /nfs/dbraw/zinc/23/98/42/385239842.db2.gz OZSBJQBPUIWBCH-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN Cc1c[nH]nc1CN1CCCC(C)(C)C1 ZINC000290384329 385239975 /nfs/dbraw/zinc/23/99/75/385239975.db2.gz ITMYHYPTCRRPNU-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN COC(=O)c1occc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000153254313 385244747 /nfs/dbraw/zinc/24/47/47/385244747.db2.gz UPLVUCPWPHNECZ-GHMZBOCLSA-N 0 1 249.310 2.298 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290576350 385248949 /nfs/dbraw/zinc/24/89/49/385248949.db2.gz ZAWVFHPUCYACMC-AOOOYVTPSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1cccc(NC[C@@H]2CCC[C@H](O)C2)n1 ZINC000157694631 385250549 /nfs/dbraw/zinc/25/05/49/385250549.db2.gz BBCMUMPMOOCRIO-NEPJUHHUSA-N 0 1 220.316 2.353 20 0 BEADMN CCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314591493 385255524 /nfs/dbraw/zinc/25/55/24/385255524.db2.gz HDEKWVSEFKPLRF-QMMMGPOBSA-N 0 1 242.344 2.380 20 0 BEADMN CC(C)CCOCCNCc1ccco1 ZINC000044387333 385205670 /nfs/dbraw/zinc/20/56/70/385205670.db2.gz XYXNRPHEJPJKHE-UHFFFAOYSA-N 0 1 211.305 2.432 20 0 BEADMN C[C@@H](CF)NCc1c[nH]nc1C(C)(C)C ZINC000308959025 385311100 /nfs/dbraw/zinc/31/11/00/385311100.db2.gz YMLYGNHGAMIMGD-QMMMGPOBSA-N 0 1 213.300 2.155 20 0 BEADMN CCCCN(CC(N)=O)Cc1c(C)cccc1C ZINC000154358857 385319906 /nfs/dbraw/zinc/31/99/06/385319906.db2.gz HQXCKNKVULJFFH-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000177669376 385271592 /nfs/dbraw/zinc/27/15/92/385271592.db2.gz KDZIMEWUHYWBAL-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](c1ccco1)c1nc(C2(N)CCC2)no1 ZINC000647140994 385280050 /nfs/dbraw/zinc/28/00/50/385280050.db2.gz ZACRKXGVHIKQFI-QMMMGPOBSA-N 0 1 233.271 2.152 20 0 BEADMN C[C@H](CCc1cccn1C)NCc1cocn1 ZINC000191098679 385283032 /nfs/dbraw/zinc/28/30/32/385283032.db2.gz IFMAVIFEHNEQSJ-LLVKDONJSA-N 0 1 233.315 2.124 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CSC[C@@H]2C)s1 ZINC000308926114 385287365 /nfs/dbraw/zinc/28/73/65/385287365.db2.gz DGGXPMRONCUMMK-ZKWXMUAHSA-N 0 1 243.401 2.249 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CSC[C@@H]2C)s1 ZINC000308926111 385287894 /nfs/dbraw/zinc/28/78/94/385287894.db2.gz DGGXPMRONCUMMK-ACLDMZEESA-N 0 1 243.401 2.249 20 0 BEADMN CC(C)Cc1ncc(CN(C)C[C@@H](C)O)s1 ZINC000130838731 385288375 /nfs/dbraw/zinc/28/83/75/385288375.db2.gz LQILKWBRUAEDLQ-SNVBAGLBSA-N 0 1 242.388 2.154 20 0 BEADMN Cn1cnc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000311038539 385289327 /nfs/dbraw/zinc/28/93/27/385289327.db2.gz UURWBBLPSIWQSO-LBPRGKRZSA-N 0 1 248.374 2.408 20 0 BEADMN C[C@H](N[C@H]1CSC1(C)C)c1cnccn1 ZINC000308928836 385289336 /nfs/dbraw/zinc/28/93/36/385289336.db2.gz DUTVGUBUOBNAOJ-WPRPVWTQSA-N 0 1 223.345 2.021 20 0 BEADMN C[C@H](N[C@@H]1CSC1(C)C)c1cnccn1 ZINC000308928833 385289874 /nfs/dbraw/zinc/28/98/74/385289874.db2.gz DUTVGUBUOBNAOJ-WCBMZHEXSA-N 0 1 223.345 2.021 20 0 BEADMN C[C@@H](O)CNc1ccnc2cc(F)ccc21 ZINC000120440233 385329669 /nfs/dbraw/zinc/32/96/69/385329669.db2.gz JEMOSWUMKCJZKP-MRVPVSSYSA-N 0 1 220.247 2.167 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000191859524 385330172 /nfs/dbraw/zinc/33/01/72/385330172.db2.gz BZUIMNFYVUIHKV-LLVKDONJSA-N 0 1 249.358 2.413 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@H](C)C(C)C)cc1 ZINC000228088856 385335660 /nfs/dbraw/zinc/33/56/60/385335660.db2.gz LHQZQMCVOCMWIB-GXTWGEPZSA-N 0 1 248.370 2.403 20 0 BEADMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000193265112 385389480 /nfs/dbraw/zinc/38/94/80/385389480.db2.gz JOGZNNAQEALKME-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN Cc1cnc([C@@H](N[C@H]2CCOC2)C2CC2)s1 ZINC000168315572 385351204 /nfs/dbraw/zinc/35/12/04/385351204.db2.gz KNTWZDLVOCJIDK-QWRGUYRKSA-N 0 1 238.356 2.281 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1 ZINC000336435955 385389720 /nfs/dbraw/zinc/38/97/20/385389720.db2.gz CGBZWMITRPDYRO-SKDRFNHKSA-N 0 1 225.719 2.295 20 0 BEADMN CC(C)(C)n1cc(CN2CCC[C@@H]2C2CC2)nn1 ZINC000364334080 385365959 /nfs/dbraw/zinc/36/59/59/385365959.db2.gz XGVWOTOJYOBYJM-CYBMUJFWSA-N 0 1 248.374 2.408 20 0 BEADMN CC/C=C(\C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000178411431 385368571 /nfs/dbraw/zinc/36/85/71/385368571.db2.gz GNXHDEOTCZLUAZ-ZKXNXJMVSA-N 0 1 235.331 2.122 20 0 BEADMN Cc1ccc([C@H](C)NCC2(C)OCCO2)o1 ZINC000179567166 385376178 /nfs/dbraw/zinc/37/61/78/385376178.db2.gz UFYFHFOWASJNJX-JTQLQIEISA-N 0 1 225.288 2.002 20 0 BEADMN FCCNCc1ccc(OCC(F)F)cc1 ZINC000280851794 385377690 /nfs/dbraw/zinc/37/76/90/385377690.db2.gz ZTPWVAJZTCWMFU-UHFFFAOYSA-N 0 1 233.233 2.390 20 0 BEADMN COC[C@@H](NCc1ncc(Cl)s1)C1CC1 ZINC000309049459 385383990 /nfs/dbraw/zinc/38/39/90/385383990.db2.gz QAULAMKXJRFTJV-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN CC(C)(C)c1cnc(CSc2c[nH]nn2)o1 ZINC000155971822 385424294 /nfs/dbraw/zinc/42/42/94/385424294.db2.gz BJCKXWMWLIJPNX-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408011147 385396138 /nfs/dbraw/zinc/39/61/38/385396138.db2.gz SPVSDCUSOHFOBS-JTQLQIEISA-N 0 1 239.319 2.001 20 0 BEADMN CN(Cc1ccco1)C[C@@H]1CCC=CO1 ZINC000193620033 385405029 /nfs/dbraw/zinc/40/50/29/385405029.db2.gz GSHOOYBEVICTCC-NSHDSACASA-N 0 1 207.273 2.404 20 0 BEADMN C[C@@H](NCCF)c1ccc2n[nH]cc2c1 ZINC000309096904 385407240 /nfs/dbraw/zinc/40/72/40/385407240.db2.gz DFHUVWHOPJBSSK-MRVPVSSYSA-N 0 1 207.252 2.183 20 0 BEADMN CC[N@@H+](CCN[C@H](C)c1cncs1)C1CC1 ZINC000155843463 385417120 /nfs/dbraw/zinc/41/71/20/385417120.db2.gz LDVSQYLKMVUWRR-SNVBAGLBSA-N 0 1 239.388 2.278 20 0 BEADMN C=Cn1cc(CN2CCSC(C)(C)C2)cn1 ZINC000193978935 385418114 /nfs/dbraw/zinc/41/81/14/385418114.db2.gz NMJPTMPVFMMHOV-UHFFFAOYSA-N 0 1 237.372 2.311 20 0 BEADMN C[C@H](O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000194951024 385452677 /nfs/dbraw/zinc/45/26/77/385452677.db2.gz CJLQNVUTVIJRHD-UWVGGRQHSA-N 0 1 209.289 2.186 20 0 BEADMN C[C@@]1(CNCc2ncc(Cl)s2)CCOC1 ZINC000309134593 385427046 /nfs/dbraw/zinc/42/70/46/385427046.db2.gz RVGMZYDSMJBQIC-JTQLQIEISA-N 0 1 246.763 2.313 20 0 BEADMN CCc1ccc([C@@H](C)NCC2(C)OCCO2)o1 ZINC000179573258 385473640 /nfs/dbraw/zinc/47/36/40/385473640.db2.gz QUPIHMCHUZRZAU-SNVBAGLBSA-N 0 1 239.315 2.256 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000643166634 385485047 /nfs/dbraw/zinc/48/50/47/385485047.db2.gz PDQLCYUGAKSINV-NTZNESFSSA-N 0 1 247.342 2.451 20 0 BEADMN Cc1nn(C)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000156602152 385460065 /nfs/dbraw/zinc/46/00/65/385460065.db2.gz JLZMORZPSBYVEJ-AWEZNQCLSA-N 0 1 244.342 2.394 20 0 BEADMN CONC(=O)C(C)(C)c1ccccc1Cl ZINC000171526242 385492304 /nfs/dbraw/zinc/49/23/04/385492304.db2.gz POZXKORWMBDJCZ-UHFFFAOYSA-N 0 1 227.691 2.295 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H](C)c1nnc(C)o1 ZINC000111253111 385498064 /nfs/dbraw/zinc/49/80/64/385498064.db2.gz BDZFKPMFKPZZSP-BDAKNGLRSA-N 0 1 211.309 2.417 20 0 BEADMN CC[C@@H](C)CN(C)Cc1nccn1CC ZINC000111253561 385498757 /nfs/dbraw/zinc/49/87/57/385498757.db2.gz BRMVUSOSYJAQOQ-LLVKDONJSA-N 0 1 209.337 2.381 20 0 BEADMN c1nc2c(ncnc2NCCC2=CCCC2)[nH]1 ZINC000157443828 385501331 /nfs/dbraw/zinc/50/13/31/385501331.db2.gz WQCNPEUPYNJLFN-UHFFFAOYSA-N 0 1 229.287 2.265 20 0 BEADMN Cc1nccc(N2CCO[C@@H]3C[C@@H]32)c1Cl ZINC000644135934 385518479 /nfs/dbraw/zinc/51/84/79/385518479.db2.gz DEZOQMAYTAVEGE-VHSXEESVSA-N 0 1 224.691 2.021 20 0 BEADMN CCC[C@H](C)C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000180206532 385514569 /nfs/dbraw/zinc/51/45/69/385514569.db2.gz GMEFGDOZYDUOQY-ZDUSSCGKSA-N 0 1 248.370 2.410 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000336592551 385515358 /nfs/dbraw/zinc/51/53/58/385515358.db2.gz MRQZIMNVMIDTEM-CYBMUJFWSA-N 0 1 219.332 2.116 20 0 BEADMN Cc1cnc(CN(C)[C@@H](CO)C(C)(C)C)s1 ZINC000180646645 385534233 /nfs/dbraw/zinc/53/42/33/385534233.db2.gz GTUUEFZASYORQR-JTQLQIEISA-N 0 1 242.388 2.290 20 0 BEADMN CCCN(CCC1CCCC1)CC(=O)OC ZINC000172979062 385534395 /nfs/dbraw/zinc/53/43/95/385534395.db2.gz ZDRHCYOYWTYQCV-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN Cc1cnc(CN2CCC[C@H]2C[C@@H](C)O)s1 ZINC000180665260 385536521 /nfs/dbraw/zinc/53/65/21/385536521.db2.gz SUXMBOLCGXBUOY-KOLCDFICSA-N 0 1 240.372 2.187 20 0 BEADMN CCOC[C@H]1CCN(Cc2ncc(C)s2)C1 ZINC000180529584 385526932 /nfs/dbraw/zinc/52/69/32/385526932.db2.gz CRHDNBQBDGDZTC-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN Cc1cc(CNCc2ccc3nc[nH]c3c2)no1 ZINC000518779228 385564996 /nfs/dbraw/zinc/56/49/96/385564996.db2.gz GUGAGTZCQPKDLM-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CCOCCN(Cc1ccccn1)C1CC1 ZINC000181301845 385570455 /nfs/dbraw/zinc/57/04/55/385570455.db2.gz ZRWHOQCOWWLDAQ-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN CC(C)COCCN1CCO[C@@H](C(C)C)C1 ZINC000337312171 385599946 /nfs/dbraw/zinc/59/99/46/385599946.db2.gz DPAGPCGFWHMLJR-CYBMUJFWSA-N 0 1 229.364 2.016 20 0 BEADMN C[C@@H]1CCCN(CC(=O)c2cccn2C)[C@H]1C ZINC000250566135 385602279 /nfs/dbraw/zinc/60/22/79/385602279.db2.gz UJGAQYYRBLUOBN-NEPJUHHUSA-N 0 1 234.343 2.328 20 0 BEADMN CCOC[C@H](C)NCc1oc(CC)nc1C ZINC000309477416 385602882 /nfs/dbraw/zinc/60/28/82/385602882.db2.gz SBXSBYUCKSMPSY-VIFPVBQESA-N 0 1 226.320 2.060 20 0 BEADMN c1nc(N[C@H]2CCOC2)cc2c1CCCC2 ZINC000309424997 385578042 /nfs/dbraw/zinc/57/80/42/385578042.db2.gz BMVNGODYISNNKD-LBPRGKRZSA-N 0 1 218.300 2.161 20 0 BEADMN Cc1noc(CN2CCCC[C@@H]2C(C)C)n1 ZINC000117348922 385578589 /nfs/dbraw/zinc/57/85/89/385578589.db2.gz BDZGFYJCCDTTJE-LLVKDONJSA-N 0 1 223.320 2.389 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)C[C@H]2CC)n[nH]1 ZINC000334616613 385589171 /nfs/dbraw/zinc/58/91/71/385589171.db2.gz NUYBVPXURHANDI-GXSJLCMTSA-N 0 1 235.331 2.233 20 0 BEADMN FC(F)O[C@H]1CCC[C@H]1NCc1nccs1 ZINC000337310347 385591821 /nfs/dbraw/zinc/59/18/21/385591821.db2.gz UNOBPJLAFAQXKK-SFYZADRCSA-N 0 1 248.298 2.393 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000309494238 385615354 /nfs/dbraw/zinc/61/53/54/385615354.db2.gz XYRGQKAMCBHVPZ-IUCAKERBSA-N 0 1 240.372 2.317 20 0 BEADMN Cc1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000082644374 385625816 /nfs/dbraw/zinc/62/58/16/385625816.db2.gz MTLVUUBVTXNJDQ-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)cc1F ZINC000161264587 385635356 /nfs/dbraw/zinc/63/53/56/385635356.db2.gz YVJUKECJQDREGE-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN COC[C@H](NCc1cscn1)C1CCCC1 ZINC000309502250 385640275 /nfs/dbraw/zinc/64/02/75/385640275.db2.gz ACGBYRWKVGECJF-LBPRGKRZSA-N 0 1 240.372 2.438 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(C(C)(C)C)o1 ZINC000182206082 385644640 /nfs/dbraw/zinc/64/46/40/385644640.db2.gz JUMJOHGBNHJSSU-UHFFFAOYSA-N 0 1 235.291 2.011 20 0 BEADMN CC(C)(C)n1ncnc1CNC1CC(C)(C)C1 ZINC000337416358 385645460 /nfs/dbraw/zinc/64/54/60/385645460.db2.gz UDQGVWJHDIZSLJ-UHFFFAOYSA-N 0 1 236.363 2.311 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000290167942 385652085 /nfs/dbraw/zinc/65/20/85/385652085.db2.gz MKRQIXHKKFLZCZ-OPRDCNLKSA-N 0 1 212.293 2.057 20 0 BEADMN Cc1ncc(C(=O)N(CC(C)C)CC(C)C)[nH]1 ZINC000270059325 385665699 /nfs/dbraw/zinc/66/56/99/385665699.db2.gz HFHQHWMYLRSFJO-UHFFFAOYSA-N 0 1 237.347 2.472 20 0 BEADMN CCC[C@H](C)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000337465986 385672880 /nfs/dbraw/zinc/67/28/80/385672880.db2.gz MMVUPZOKLVDMEH-DCAQKATOSA-N 0 1 217.378 2.016 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1ccc(Cl)s1 ZINC000307287270 385673896 /nfs/dbraw/zinc/67/38/96/385673896.db2.gz UGUSMLOWYOQYDA-SFYZADRCSA-N 0 1 231.748 2.357 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CSC[C@@H]2C)n1 ZINC000309535845 385676382 /nfs/dbraw/zinc/67/63/82/385676382.db2.gz DYNPVRYXVDLUKJ-JQWIXIFHSA-N 0 1 239.388 2.305 20 0 BEADMN CCOc1ccc(CN2C[C@H](C)[C@H]2C)nc1 ZINC000645216044 385676857 /nfs/dbraw/zinc/67/68/57/385676857.db2.gz AVECFEAESZDWDZ-WDEREUQCSA-N 0 1 220.316 2.321 20 0 BEADMN C[C@@H](C(=O)NO[C@@H]1CCCCO1)c1ccccc1 ZINC000182531078 385679317 /nfs/dbraw/zinc/67/93/17/385679317.db2.gz CVTUZHXDDNGGHN-DGCLKSJQSA-N 0 1 249.310 2.365 20 0 BEADMN Cc1nc(CN[C@@H]2CCOC2(C)C)cs1 ZINC000293607092 385682077 /nfs/dbraw/zinc/68/20/77/385682077.db2.gz GIFAZIXUSHENAF-SNVBAGLBSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000309555408 385689031 /nfs/dbraw/zinc/68/90/31/385689031.db2.gz JNMXVWNBPIYAKF-OUAUKWLOSA-N 0 1 222.336 2.044 20 0 BEADMN NCc1nccn1CCc1ccc(Cl)cc1 ZINC000308451569 385691403 /nfs/dbraw/zinc/69/14/03/385691403.db2.gz FPXGSVGQQVYEHS-UHFFFAOYSA-N 0 1 235.718 2.238 20 0 BEADMN C[C@H](NCC1OCCO1)c1cc2ccccc2o1 ZINC000182647842 385692459 /nfs/dbraw/zinc/69/24/59/385692459.db2.gz WCRLUDWKGVLXEU-JTQLQIEISA-N 0 1 247.294 2.456 20 0 BEADMN FC(F)(F)C1(CNCc2ncc[nH]2)CCC1 ZINC000309564239 385694140 /nfs/dbraw/zinc/69/41/40/385694140.db2.gz KHKHSNWBZWRQAS-UHFFFAOYSA-N 0 1 233.237 2.232 20 0 BEADMN CC[C@@H](NCc1cscn1)[C@H](O)C(C)C ZINC000414536743 385703976 /nfs/dbraw/zinc/70/39/76/385703976.db2.gz XVWJDOSLSMETBW-GHMZBOCLSA-N 0 1 228.361 2.028 20 0 BEADMN COC(=O)CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000270416180 385706526 /nfs/dbraw/zinc/70/65/26/385706526.db2.gz YTNRMISXLYJTIB-UHFFFAOYSA-N 0 1 247.338 2.343 20 0 BEADMN Cn1cc(CNC(C)(C)CF)c(C(F)F)n1 ZINC000336688343 385708361 /nfs/dbraw/zinc/70/83/61/385708361.db2.gz JRDNTRHOYJTWCS-UHFFFAOYSA-N 0 1 235.253 2.195 20 0 BEADMN C[C@H](NCC[C@@H]1CCCCO1)c1ccon1 ZINC000336735594 385708711 /nfs/dbraw/zinc/70/87/11/385708711.db2.gz ICMMEYDYNFDNGM-QWRGUYRKSA-N 0 1 224.304 2.284 20 0 BEADMN C[N@@H+](CCCO)Cc1cnc(C(C)(C)C)s1 ZINC000281895796 385712713 /nfs/dbraw/zinc/71/27/13/385712713.db2.gz YPZMFONKDIHLLG-UHFFFAOYSA-N 0 1 242.388 2.255 20 0 BEADMN CN(CCCO)Cc1cnc(C(C)(C)C)s1 ZINC000281895796 385712719 /nfs/dbraw/zinc/71/27/19/385712719.db2.gz YPZMFONKDIHLLG-UHFFFAOYSA-N 0 1 242.388 2.255 20 0 BEADMN CC(C)[C@@H](O)CN1CCC[C@H]1c1nccs1 ZINC000366598376 385668581 /nfs/dbraw/zinc/66/85/81/385668581.db2.gz BVXVWYFRTPSHMY-QWRGUYRKSA-N 0 1 240.372 2.297 20 0 BEADMN C[C@H](NC(=O)C(C)(C)C(C)(C)C)c1nnc[nH]1 ZINC000336654378 385728054 /nfs/dbraw/zinc/72/80/54/385728054.db2.gz HBGGAGKFPDGQON-QMMMGPOBSA-N 0 1 238.335 2.054 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H](C)[C@@H](C)CC)n1 ZINC000183054268 385732612 /nfs/dbraw/zinc/73/26/12/385732612.db2.gz UMICCNHJFGTKCW-UWVGGRQHSA-N 0 1 237.347 2.269 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1ccn(C)n1 ZINC000270741884 385737926 /nfs/dbraw/zinc/73/79/26/385737926.db2.gz AFFXPFDYFSWRJU-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN CO[C@H]1CCN(Cc2cncs2)[C@H](C)C1 ZINC000282409583 385758593 /nfs/dbraw/zinc/75/85/93/385758593.db2.gz SCJZQJREQKBBBA-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1ccc([C@H](O)CN[C@H](C)c2ccccn2)o1 ZINC000270921989 385759986 /nfs/dbraw/zinc/75/99/86/385759986.db2.gz OCFGXSWAPCEJLK-DGCLKSJQSA-N 0 1 246.310 2.367 20 0 BEADMN Fc1ccc(SCCc2c[nH]nn2)cc1F ZINC000647915698 385760638 /nfs/dbraw/zinc/76/06/38/385760638.db2.gz VMVHQQXSDYQCMM-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000183416577 385761344 /nfs/dbraw/zinc/76/13/44/385761344.db2.gz KMWWZZKSWMLCGQ-NXEZZACHSA-N 0 1 249.358 2.407 20 0 BEADMN CO[C@@H]1CCN(Cc2ncc(C)s2)[C@@H](C)C1 ZINC000282443650 385763716 /nfs/dbraw/zinc/76/37/16/385763716.db2.gz SARXMKVRHHCPOL-GXSJLCMTSA-N 0 1 240.372 2.451 20 0 BEADMN CCN(C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000271043147 385776150 /nfs/dbraw/zinc/77/61/50/385776150.db2.gz OBFKDNRYRMZPFO-JTQLQIEISA-N 0 1 226.345 2.446 20 0 BEADMN COC[C@@H](CC(C)C)N[C@H](C)c1ccon1 ZINC000309660775 385779274 /nfs/dbraw/zinc/77/92/74/385779274.db2.gz RGMSLHYZCDIMSQ-GHMZBOCLSA-N 0 1 226.320 2.386 20 0 BEADMN CCOc1ccc(CNC(=O)C(F)(F)F)cc1 ZINC000258765674 385779492 /nfs/dbraw/zinc/77/94/92/385779492.db2.gz LUIVOKIYEFKOAI-UHFFFAOYSA-N 0 1 247.216 2.264 20 0 BEADMN COc1ccnc(CN2CC[C@H](SC)C2)c1 ZINC000451324668 385782425 /nfs/dbraw/zinc/78/24/25/385782425.db2.gz ZFDGZLYQDGRWPE-LBPRGKRZSA-N 0 1 238.356 2.028 20 0 BEADMN Cc1ccnc(N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270632235 385725825 /nfs/dbraw/zinc/72/58/25/385725825.db2.gz FZMKWWLJSOCMMT-VIFPVBQESA-N 0 1 246.318 2.200 20 0 BEADMN COC(=O)[C@H]1CCCN1C[C@@H](C)c1ccccc1 ZINC000116877154 385801245 /nfs/dbraw/zinc/80/12/45/385801245.db2.gz KTLCHDHJSQEXNH-TZMCWYRMSA-N 0 1 247.338 2.428 20 0 BEADMN COC[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000271182249 385801392 /nfs/dbraw/zinc/80/13/92/385801392.db2.gz MIBVHXSJQRXKRM-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN Cc1ccc(CN(C)Cc2n[nH]c(C)n2)s1 ZINC000271201658 385803525 /nfs/dbraw/zinc/80/35/25/385803525.db2.gz PVJROXMHFJZSAO-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN c1nc(CN[C@@H]2CCc3ccccc3OC2)co1 ZINC000337839619 385803964 /nfs/dbraw/zinc/80/39/64/385803964.db2.gz YVIUSICRTXIHER-GFCCVEGCSA-N 0 1 244.294 2.158 20 0 BEADMN Cc1ccc(CN(C)Cc2nnc[nH]2)cc1C ZINC000271210565 385805825 /nfs/dbraw/zinc/80/58/25/385805825.db2.gz YBQKYOOWMRIFAS-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CC[C@H](CNc1ccnc(C)c1Cl)OC ZINC000336714192 385809478 /nfs/dbraw/zinc/80/94/78/385809478.db2.gz VYAYOWGBXAIMSE-SECBINFHSA-N 0 1 228.723 2.302 20 0 BEADMN C[C@H](NCc1c[nH]nn1)c1ccccc1Cl ZINC000283978845 385813832 /nfs/dbraw/zinc/81/38/32/385813832.db2.gz MGZJWBPAMTWNMK-QMMMGPOBSA-N 0 1 236.706 2.309 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@H]2CCC[C@H]2C)cc1 ZINC000261576288 385820870 /nfs/dbraw/zinc/82/08/70/385820870.db2.gz NQAUURNTFAWSLP-XBFCOCLRSA-N 0 1 246.354 2.300 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@](C)(N)c1ccccc1 ZINC000261581246 385821353 /nfs/dbraw/zinc/82/13/53/385821353.db2.gz QLLCQBZKXOWFMQ-UXIGCNINSA-N 0 1 246.354 2.165 20 0 BEADMN CC(C)(C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000365847821 385823174 /nfs/dbraw/zinc/82/31/74/385823174.db2.gz MQSPGAHFIBSFLZ-ZDUSSCGKSA-N 0 1 244.354 2.114 20 0 BEADMN Cc1cncc(CNCc2cccn2C)c1 ZINC000122939813 385836894 /nfs/dbraw/zinc/83/68/94/385836894.db2.gz ROZATRLGNMWYTL-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CN(CCSC(C)(C)C)Cc1cnn(C)c1 ZINC000283894266 385839540 /nfs/dbraw/zinc/83/95/40/385839540.db2.gz IWRLQRSKVLXHAJ-UHFFFAOYSA-N 0 1 241.404 2.384 20 0 BEADMN C[C@H](NCc1cncn1C)c1ccc(F)cc1 ZINC000112338571 385839818 /nfs/dbraw/zinc/83/98/18/385839818.db2.gz CEDLCFLIUCQCBH-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc(F)cc1O ZINC000294363037 385840304 /nfs/dbraw/zinc/84/03/04/385840304.db2.gz XEMFHCZYEXWPLE-JGVFFNPUSA-N 0 1 223.247 2.012 20 0 BEADMN CC(C)C1(C[N@H+]2CCc3cn[nH]c3C2)CC1 ZINC000638109875 385843628 /nfs/dbraw/zinc/84/36/28/385843628.db2.gz YPKDHZBDXUAQTI-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CC(C)C1(CN2CCc3c[nH]nc3C2)CC1 ZINC000638109875 385843638 /nfs/dbraw/zinc/84/36/38/385843638.db2.gz YPKDHZBDXUAQTI-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284010058 385844821 /nfs/dbraw/zinc/84/48/21/385844821.db2.gz QSGOXOHHOKESCX-MNOVXSKESA-N 0 1 245.326 2.499 20 0 BEADMN COC1(C)CCN(Cc2nc(C)cs2)CC1 ZINC000271674534 385845973 /nfs/dbraw/zinc/84/59/73/385845973.db2.gz BOHVQPJXZUDDFA-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CCCCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000284035979 385847755 /nfs/dbraw/zinc/84/77/55/385847755.db2.gz JNJSWYUZTLXTKS-LBPRGKRZSA-N 0 1 245.330 2.069 20 0 BEADMN CCC1(O)CCN(Cc2cc(C)ns2)CC1 ZINC000638114692 385848371 /nfs/dbraw/zinc/84/83/71/385848371.db2.gz LBDWRZLCBPHIOW-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1nocc1CN(C)CCc1nccs1 ZINC000294445390 385851885 /nfs/dbraw/zinc/85/18/85/385851885.db2.gz XZLUMDVKXOYYPJ-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@H]2CF)n[nH]1 ZINC000294055059 385794591 /nfs/dbraw/zinc/79/45/91/385794591.db2.gz LRYSRFSLGHEVKW-VIFPVBQESA-N 0 1 239.294 2.107 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000294717830 385888114 /nfs/dbraw/zinc/88/81/14/385888114.db2.gz FXHKJCRRLHMFLW-VXGBXAGGSA-N 0 1 249.358 2.353 20 0 BEADMN CCc1nocc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414595339 385892801 /nfs/dbraw/zinc/89/28/01/385892801.db2.gz SRNLILZAVPWARO-ZYHUDNBSSA-N 0 1 232.283 2.476 20 0 BEADMN CC(=O)c1cccc(CN2CCCC[C@H]2CO)c1 ZINC000294779466 385894098 /nfs/dbraw/zinc/89/40/98/385894098.db2.gz AKNVHSRZOMCISL-HNNXBMFYSA-N 0 1 247.338 2.236 20 0 BEADMN COc1nccc(C[N@@H+](CC(C)C)C(C)C)n1 ZINC000294781575 385896012 /nfs/dbraw/zinc/89/60/12/385896012.db2.gz KDCUSRUAHLBTOD-UHFFFAOYSA-N 0 1 237.347 2.352 20 0 BEADMN CC(C)c1nc(CNCc2ccsc2)n[nH]1 ZINC000294807156 385897933 /nfs/dbraw/zinc/89/79/33/385897933.db2.gz NLOWKRWNPPWKCP-UHFFFAOYSA-N 0 1 236.344 2.279 20 0 BEADMN Cc1sccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294855082 385905838 /nfs/dbraw/zinc/90/58/38/385905838.db2.gz SLLMWFXWQGUHMS-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1CC1 ZINC000272480103 385906381 /nfs/dbraw/zinc/90/63/81/385906381.db2.gz RNNUBPVDHPVJEK-UHFFFAOYSA-N 0 1 229.230 2.394 20 0 BEADMN Cc1ccc(CNCc2n[nH]c(C3CC3)n2)s1 ZINC000294873850 385907895 /nfs/dbraw/zinc/90/78/95/385907895.db2.gz UZBAKXPALDYEFQ-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN CCN(CCO)[C@H](C)c1nc2ccccc2o1 ZINC000272561419 385912847 /nfs/dbraw/zinc/91/28/47/385912847.db2.gz PTRBFKFHLYJZEE-SNVBAGLBSA-N 0 1 234.299 2.203 20 0 BEADMN CS[C@@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000294923238 385916951 /nfs/dbraw/zinc/91/69/51/385916951.db2.gz BAFGWSWKLGTHAD-GFCCVEGCSA-N 0 1 247.367 2.272 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@@](C)(N)c1ccccc1 ZINC000219238325 385924386 /nfs/dbraw/zinc/92/43/86/385924386.db2.gz QLLCQBZKXOWFMQ-ZLDLUXBVSA-N 0 1 246.354 2.165 20 0 BEADMN CC1(C)SC[C@H]1NCc1cn2ccccc2n1 ZINC000282598720 385924815 /nfs/dbraw/zinc/92/48/15/385924815.db2.gz CTNMRUPSBUIJOC-LLVKDONJSA-N 0 1 247.367 2.318 20 0 BEADMN CCCCN(CC)Cc1nccnc1OC ZINC000294507143 385859853 /nfs/dbraw/zinc/85/98/53/385859853.db2.gz CKKKABJEJFNAOA-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN C[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000284335038 385863386 /nfs/dbraw/zinc/86/33/86/385863386.db2.gz QSUYVUMVPKFOOZ-LHLIQPBNSA-N 0 1 249.701 2.355 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000294528948 385863512 /nfs/dbraw/zinc/86/35/12/385863512.db2.gz WZNVIDVKWNVJPR-CKYFFXLPSA-N 0 1 249.358 2.407 20 0 BEADMN CN(CCCCc1ccccc1)Cc1c[nH]nn1 ZINC000284341112 385863532 /nfs/dbraw/zinc/86/35/32/385863532.db2.gz REXBTFQYIQWGBD-UHFFFAOYSA-N 0 1 244.342 2.259 20 0 BEADMN CC(C)[C@H](O)CN1CCO[C@H](c2ccccc2)C1 ZINC000284339251 385864337 /nfs/dbraw/zinc/86/43/37/385864337.db2.gz QZNAPDLJNNUSPM-CABCVRRESA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)(C)c1ncc(CN2CCCC2)cn1 ZINC000284390588 385866000 /nfs/dbraw/zinc/86/60/00/385866000.db2.gz PCSXSHGVSKVNFV-UHFFFAOYSA-N 0 1 219.332 2.370 20 0 BEADMN CCN(CC)C(=O)c1ccc(F)cc1O ZINC000123189253 385866746 /nfs/dbraw/zinc/86/67/46/385866746.db2.gz KJVQKTGWAUMEGU-UHFFFAOYSA-N 0 1 211.236 2.013 20 0 BEADMN CCC[C@H](O)CNC(C)(C)c1nccs1 ZINC000294966040 385927837 /nfs/dbraw/zinc/92/78/37/385927837.db2.gz NXBCNXQTDGMCRG-VIFPVBQESA-N 0 1 228.361 2.129 20 0 BEADMN CO[C@H](CN1CCO[C@H](C)[C@@H]1C)c1ccccc1 ZINC000284446738 385867859 /nfs/dbraw/zinc/86/78/59/385867859.db2.gz QOLCOKLRPDCDPJ-GZBFAFLISA-N 0 1 249.354 2.483 20 0 BEADMN Fc1cccc(CN2CCCOCC2)c1 ZINC000334931339 385868332 /nfs/dbraw/zinc/86/83/32/385868332.db2.gz LNZJBXZPQYPSOA-UHFFFAOYSA-N 0 1 209.264 2.048 20 0 BEADMN COc1nccc(C[N@@H+]([C@H](C)C(C)C)C2CC2)n1 ZINC000294591578 385872028 /nfs/dbraw/zinc/87/20/28/385872028.db2.gz SDZNDXKCPCGXPR-LLVKDONJSA-N 0 1 249.358 2.494 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC2CC2)[C@H](C)CN1C ZINC000643238349 385876202 /nfs/dbraw/zinc/87/62/02/385876202.db2.gz UJOCCIYZCBEXSC-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(C)C)C(=O)c1ccc2cncn2c1 ZINC000284587106 385876996 /nfs/dbraw/zinc/87/69/96/385876996.db2.gz SMVKUTQEQMCIHH-UHFFFAOYSA-N 0 1 245.326 2.452 20 0 BEADMN COc1nccc(CN2CCCC(C)(C)C2)n1 ZINC000294668414 385880285 /nfs/dbraw/zinc/88/02/85/385880285.db2.gz CNLALGDDGJFLNM-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CCc1ncc(CN(C)CC(C)(C)CO)s1 ZINC000294666590 385880903 /nfs/dbraw/zinc/88/09/03/385880903.db2.gz ANCGBYCNJNEOPJ-UHFFFAOYSA-N 0 1 242.388 2.156 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000295131635 385976092 /nfs/dbraw/zinc/97/60/92/385976092.db2.gz JYABDHDBBDCKDO-BDAKNGLRSA-N 0 1 240.307 2.027 20 0 BEADMN Cc1cc[nH]c1-c1nc([C@H](N)CC(C)C)no1 ZINC000414623011 385985434 /nfs/dbraw/zinc/98/54/34/385985434.db2.gz NBIIKCLQEOURDI-SECBINFHSA-N 0 1 234.303 2.419 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414146963 385995243 /nfs/dbraw/zinc/99/52/43/385995243.db2.gz LUEGKXKSWBJVGY-CYZMBNFOSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC[C@H]2CC)n1 ZINC000286050507 385990560 /nfs/dbraw/zinc/99/05/60/385990560.db2.gz ISIXOCQDLLVMPY-PWSUYJOCSA-N 0 1 249.358 2.413 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@H]1C(=O)[O-] ZINC000309152678 385991918 /nfs/dbraw/zinc/99/19/18/385991918.db2.gz UOQWNRPZLPWXFG-MWLCHTKSSA-N 0 1 239.340 2.291 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CCCCCF ZINC000342125141 385931903 /nfs/dbraw/zinc/93/19/03/385931903.db2.gz IWZPKAADIWFXFW-LBPRGKRZSA-N 0 1 231.311 2.154 20 0 BEADMN CCC1(CNC(=O)[C@H](N)c2ccccc2C)CC1 ZINC000294986009 385935216 /nfs/dbraw/zinc/93/52/16/385935216.db2.gz HGTQLWPXDGPEDZ-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN CC/C=C(\C)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272795070 385935730 /nfs/dbraw/zinc/93/57/30/385935730.db2.gz UHJPZVBIHCSQOA-BCMYLCSRSA-N 0 1 236.359 2.109 20 0 BEADMN COc1nccnc1CN1C[C@H](C)CC[C@@H]1C ZINC000294997910 385938431 /nfs/dbraw/zinc/93/84/31/385938431.db2.gz YMMJXWNZPRJJOC-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000295011476 385940545 /nfs/dbraw/zinc/94/05/45/385940545.db2.gz ZIARIWRICZTMSD-DGCLKSJQSA-N 0 1 247.342 2.250 20 0 BEADMN CC[C@H](NCc1occc1C)[C@@H](O)C(F)F ZINC000295008362 385940754 /nfs/dbraw/zinc/94/07/54/385940754.db2.gz JDOCBRZQUBDWHH-WCBMZHEXSA-N 0 1 233.258 2.082 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(F)cc1F ZINC000272856939 385941832 /nfs/dbraw/zinc/94/18/32/385941832.db2.gz WPHNMEMAHXOHIY-SECBINFHSA-N 0 1 229.270 2.432 20 0 BEADMN Cc1cc(C2CCN(Cc3ccno3)CC2)n[nH]1 ZINC000272875351 385944834 /nfs/dbraw/zinc/94/48/34/385944834.db2.gz BLKKRQUHXXIMKI-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1cc(C2CCN(Cc3ccno3)CC2)[nH]n1 ZINC000272875351 385944841 /nfs/dbraw/zinc/94/48/41/385944841.db2.gz BLKKRQUHXXIMKI-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN C[C@H](NC[C@@H]1CCCCO1)c1cc2n(n1)CCC2 ZINC000414069874 385944779 /nfs/dbraw/zinc/94/47/79/385944779.db2.gz KSFGPBVUCIOXEX-AAEUAGOBSA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@H](C)OCc1nc(C2(N)CCCC2)no1 ZINC000414611515 385945701 /nfs/dbraw/zinc/94/57/01/385945701.db2.gz CJAJAXVVOZMBJB-VIFPVBQESA-N 0 1 239.319 2.113 20 0 BEADMN Cc1cnn(CCN(C)Cc2cnccc2C)c1 ZINC000342140892 385945779 /nfs/dbraw/zinc/94/57/79/385945779.db2.gz XIBDWQNHCCBDCG-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN CN(Cc1ccccc1Cl)C1(CO)CC1 ZINC000285587369 385946403 /nfs/dbraw/zinc/94/64/03/385946403.db2.gz UJNGAHONSCTONP-UHFFFAOYSA-N 0 1 225.719 2.297 20 0 BEADMN CS[C@@H]1CCN(Cc2ccc(F)nc2C)C1 ZINC000295030263 385947823 /nfs/dbraw/zinc/94/78/23/385947823.db2.gz LPGIZMKKHCGFRM-LLVKDONJSA-N 0 1 240.347 2.466 20 0 BEADMN CO[C@H](C)CN(C)Cc1nc2ccccc2o1 ZINC000272942603 385951898 /nfs/dbraw/zinc/95/18/98/385951898.db2.gz LIFQQJFIPYPKLV-SNVBAGLBSA-N 0 1 234.299 2.295 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)[C@H](C)C2)s1 ZINC000338301875 385952127 /nfs/dbraw/zinc/95/21/27/385952127.db2.gz APRXVNYUQGGTNY-YIZRAAEISA-N 0 1 225.361 2.495 20 0 BEADMN CC(=O)CCN1Cc2ccccc2OC[C@H]1C ZINC000272933500 385952257 /nfs/dbraw/zinc/95/22/57/385952257.db2.gz KFNGNEOGODPBML-LLVKDONJSA-N 0 1 233.311 2.249 20 0 BEADMN CCc1nc(CNCc2ccc(CC)cc2)n[nH]1 ZINC000295582702 385959845 /nfs/dbraw/zinc/95/98/45/385959845.db2.gz BNTUTBPLBZLRSX-UHFFFAOYSA-N 0 1 244.342 2.219 20 0 BEADMN C[C@@H](NC[C@@]1(C)CCCO1)c1cc2n(n1)CCC2 ZINC000414099397 385962321 /nfs/dbraw/zinc/96/23/21/385962321.db2.gz JPCNZEIDCOLUAC-BXUZGUMPSA-N 0 1 249.358 2.049 20 0 BEADMN CS[C@@H]1CCN(Cc2cncs2)C1 ZINC000295102682 385968178 /nfs/dbraw/zinc/96/81/78/385968178.db2.gz TWLFXTXAGWXNEJ-MRVPVSSYSA-N 0 1 214.359 2.080 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2cccc(O)c2)n1 ZINC000414619141 385968362 /nfs/dbraw/zinc/96/83/62/385968362.db2.gz NLZGQZZEJNIXGZ-LLVKDONJSA-N 0 1 247.298 2.488 20 0 BEADMN CCOC[C@@H](N[C@H](C)c1ccn(C)n1)C(C)C ZINC000414123375 385971882 /nfs/dbraw/zinc/97/18/82/385971882.db2.gz BEYCWLYYUHIMBD-DGCLKSJQSA-N 0 1 239.363 2.132 20 0 BEADMN CCc1cccc(NC(=O)N2CCN[C@@H](C)C2)c1 ZINC000334857916 385972903 /nfs/dbraw/zinc/97/29/03/385972903.db2.gz QHBCHAJPOGBIIY-NSHDSACASA-N 0 1 247.342 2.075 20 0 BEADMN CS[C@H](C)Cc1nc([C@@H](N)CC(C)C)no1 ZINC000414620033 385974694 /nfs/dbraw/zinc/97/46/94/385974694.db2.gz PAFUOHBDMVNZHQ-BDAKNGLRSA-N 0 1 243.376 2.410 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC(C)(C)C1 ZINC000295245148 385999834 /nfs/dbraw/zinc/99/98/34/385999834.db2.gz SZTXWWFEJPKVAB-CYBMUJFWSA-N 0 1 246.354 2.253 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H](C)CC(C)C)nn1 ZINC000309274436 386001515 /nfs/dbraw/zinc/00/15/15/386001515.db2.gz FEVCBNQMFFCSDN-WDEREUQCSA-N 0 1 224.352 2.241 20 0 BEADMN CCCCOCCNCc1cnc(OC)s1 ZINC000309341438 386003630 /nfs/dbraw/zinc/00/36/30/386003630.db2.gz KTUMQRKAOUCKAJ-UHFFFAOYSA-N 0 1 244.360 2.058 20 0 BEADMN Cc1nc2cccc(C(=O)NCC3(C)CC3)c2[nH]1 ZINC000335066156 386004362 /nfs/dbraw/zinc/00/43/62/386004362.db2.gz KBTVDUKRXVBBKX-UHFFFAOYSA-N 0 1 243.310 2.401 20 0 BEADMN C[C@]1(F)CCCN(CCc2cccnc2)C1 ZINC000295278246 386004427 /nfs/dbraw/zinc/00/44/27/386004427.db2.gz CUOCWXDVIHVQJE-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN COC[C@H](NC[C@@H]1CCCO1)c1ccc(C)o1 ZINC000273474557 386005892 /nfs/dbraw/zinc/00/58/92/386005892.db2.gz GMULHTKADSYKPZ-RYUDHWBXSA-N 0 1 239.315 2.044 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)[C@H](C)CN1C ZINC000335066846 386006103 /nfs/dbraw/zinc/00/61/03/386006103.db2.gz AIARLTZYVBFXTM-ZIAGYGMSSA-N 0 1 232.371 2.254 20 0 BEADMN CC(C)Cc1nsc(NC[C@@H]2C[C@@H]2C)n1 ZINC000336770722 386016759 /nfs/dbraw/zinc/01/67/59/386016759.db2.gz WWTANMMQYKJKHU-IUCAKERBSA-N 0 1 225.361 2.226 20 0 BEADMN CN(Cc1cc(F)ccc1F)[C@@H]1CCC[C@H]1O ZINC000286277647 386018232 /nfs/dbraw/zinc/01/82/32/386018232.db2.gz BOAVWCOAJBKULC-CHWSQXEVSA-N 0 1 241.281 2.310 20 0 BEADMN Cc1nocc1C[N@H+]1CCC2(CCC2)C1 ZINC000295382746 386022609 /nfs/dbraw/zinc/02/26/09/386022609.db2.gz PELKMWNSBBFLKR-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN COc1cnccc1[C@H](C)NCc1ccncc1 ZINC000189564139 386024162 /nfs/dbraw/zinc/02/41/62/386024162.db2.gz PDKGLXQQNJNFPM-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COc1cnccc1[C@H](C)NCc1cccn1C ZINC000189561486 386024907 /nfs/dbraw/zinc/02/49/07/386024907.db2.gz KXGNFDXDMGKIRT-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN Cc1cc(C)c(C[N@H+](C)C(C)(C)C(N)=O)c(C)c1 ZINC000295593465 386056894 /nfs/dbraw/zinc/05/68/94/386056894.db2.gz BULTZDWNNJHBHN-UHFFFAOYSA-N 0 1 248.370 2.308 20 0 BEADMN C[C@@H](O)C[C@H](C)CNCc1ncc(Cl)s1 ZINC000336771993 386057014 /nfs/dbraw/zinc/05/70/14/386057014.db2.gz XVYSELGRNAIGOU-JGVFFNPUSA-N 0 1 248.779 2.293 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)C[S@](C)=O)cs1 ZINC000295453241 386034429 /nfs/dbraw/zinc/03/44/29/386034429.db2.gz QJVZZZFUTSJJEK-VFZGTOFNSA-N 0 1 245.413 2.255 20 0 BEADMN CC(C)N(CCOc1ccccc1)C1COC1 ZINC000295449343 386034861 /nfs/dbraw/zinc/03/48/61/386034861.db2.gz PJDUTELVQTVFGH-UHFFFAOYSA-N 0 1 235.327 2.175 20 0 BEADMN CO[C@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000338546397 386036838 /nfs/dbraw/zinc/03/68/38/386036838.db2.gz MBONYBLTSXLVAC-CQSZACIVSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C=C2CC[C@H](C)C2)n[nH]1 ZINC000286450996 386041157 /nfs/dbraw/zinc/04/11/57/386041157.db2.gz RZABBIXCDFUPLH-AYKAQRMPSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1c(Cl)c(CNC2CCCC2)nn1C ZINC000334985729 386041779 /nfs/dbraw/zinc/04/17/79/386041779.db2.gz NKIXDRQWRKPCLK-UHFFFAOYSA-N 0 1 227.739 2.414 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC000334438285 386044309 /nfs/dbraw/zinc/04/43/09/386044309.db2.gz SQTDYCZATHFVJT-LLVKDONJSA-N 0 1 243.310 2.110 20 0 BEADMN COC[C@@H]1C[N@H+]([C@H]2/C=C/CCCCC2)CCO1 ZINC000334440123 386050091 /nfs/dbraw/zinc/05/00/91/386050091.db2.gz VWWUDCGMOAFKNY-MPCGPATOSA-N 0 1 239.359 2.223 20 0 BEADMN COC[C@@H]1CN([C@H]2/C=C/CCCCC2)CCO1 ZINC000334440123 386050096 /nfs/dbraw/zinc/05/00/96/386050096.db2.gz VWWUDCGMOAFKNY-MPCGPATOSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1nnc(NC(=O)c2ccn(C(C)C)c2C)[nH]1 ZINC000334439906 386050790 /nfs/dbraw/zinc/05/07/90/386050790.db2.gz VJZPZORDWWCTFS-UHFFFAOYSA-N 0 1 247.302 2.056 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccn(C(C)C)c2C)n1 ZINC000334439906 386050794 /nfs/dbraw/zinc/05/07/94/386050794.db2.gz VJZPZORDWWCTFS-UHFFFAOYSA-N 0 1 247.302 2.056 20 0 BEADMN COC[C@@H]1CCN1Cc1csc(C)c1 ZINC000295585776 386054239 /nfs/dbraw/zinc/05/42/39/386054239.db2.gz BTWIEGKJNCLFFK-NSHDSACASA-N 0 1 211.330 2.277 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000414244361 386054814 /nfs/dbraw/zinc/05/48/14/386054814.db2.gz QABVKDXWQDZBKK-PWJLMRLQSA-N 0 1 243.376 2.357 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000414244363 386055276 /nfs/dbraw/zinc/05/52/76/386055276.db2.gz QABVKDXWQDZBKK-ZKANADHPSA-N 0 1 243.376 2.357 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2ccccc2)nn1 ZINC000310108711 386101687 /nfs/dbraw/zinc/10/16/87/386101687.db2.gz QEFRVKSKLBXCSA-QWRGUYRKSA-N 0 1 230.315 2.168 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1ncc(C)s1 ZINC000234842835 386106308 /nfs/dbraw/zinc/10/63/08/386106308.db2.gz LLXLOLAWYDRJQL-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H](C[C@@H](C)CO)N[C@H](C)c1cc(C)on1 ZINC000340520256 386109269 /nfs/dbraw/zinc/10/92/69/386109269.db2.gz PPCJBWWRXMVHQN-YUSALJHKSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1noc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000037980782 386109413 /nfs/dbraw/zinc/10/94/13/386109413.db2.gz ZPXYYRXRTDIGJY-WCBMZHEXSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@H](C[C@H](C)CO)N[C@H](C)c1cc(C)on1 ZINC000340520255 386109578 /nfs/dbraw/zinc/10/95/78/386109578.db2.gz PPCJBWWRXMVHQN-MVWJERBFSA-N 0 1 240.347 2.431 20 0 BEADMN CCc1ccc(CNc2nccn2C)o1 ZINC000414306132 386111246 /nfs/dbraw/zinc/11/12/46/386111246.db2.gz QRIJRVFHMHWTTK-UHFFFAOYSA-N 0 1 205.261 2.188 20 0 BEADMN CCCn1cc(CNc2nccn2CC)cn1 ZINC000414310456 386113977 /nfs/dbraw/zinc/11/39/77/386113977.db2.gz ZSEVHQYJULQJQU-UHFFFAOYSA-N 0 1 233.319 2.122 20 0 BEADMN Cc1noc(CNC2[C@@H](C)CCC[C@@H]2C)n1 ZINC000038034511 386115171 /nfs/dbraw/zinc/11/51/71/386115171.db2.gz UVRQQRZEVQMGDY-IUCAKERBSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1noc(CN[C@H](C)C2CCCCC2)n1 ZINC000038034113 386115249 /nfs/dbraw/zinc/11/52/49/386115249.db2.gz QSBPPQVNPVADAI-SECBINFHSA-N 0 1 223.320 2.436 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000365479823 386121266 /nfs/dbraw/zinc/12/12/66/386121266.db2.gz WKCXFDYXALMGIO-HUBLWGQQSA-N 0 1 231.405 2.123 20 0 BEADMN C[C@@H](N[C@@H](C)c1nc2ccccc2o1)[C@H](C)CO ZINC000295638813 386065860 /nfs/dbraw/zinc/06/58/60/386065860.db2.gz BZBSIAUHRTVLIH-MXWKQRLJSA-N 0 1 248.326 2.495 20 0 BEADMN CCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCC1 ZINC000335034074 386067341 /nfs/dbraw/zinc/06/73/41/386067341.db2.gz NNKOMBRHSQGXPW-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCN(C)Cc1cn2c(n1)CCCC2 ZINC000365378273 386069053 /nfs/dbraw/zinc/06/90/53/386069053.db2.gz KXVLSOHZKLOHSR-UHFFFAOYSA-N 0 1 221.348 2.451 20 0 BEADMN CCC[C@](C)(CC)C(=O)NCc1cnc[nH]1 ZINC000356150138 386072783 /nfs/dbraw/zinc/07/27/83/386072783.db2.gz IDYPSNSZODSLNT-LBPRGKRZSA-N 0 1 223.320 2.242 20 0 BEADMN CCC[C@]1(NCc2cscn2)CCOC1 ZINC000336772700 386073852 /nfs/dbraw/zinc/07/38/52/386073852.db2.gz XZWYIYQROCHRLI-NSHDSACASA-N 0 1 226.345 2.192 20 0 BEADMN COc1ccncc1C[N@@H+](C)CCCSC ZINC000286786680 386076136 /nfs/dbraw/zinc/07/61/36/386076136.db2.gz HVBZHPYELQRALI-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN COc1ccncc1CN(C)CCCSC ZINC000286786680 386076140 /nfs/dbraw/zinc/07/61/40/386076140.db2.gz HVBZHPYELQRALI-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CC[C@H](c1nc(-c2ccncc2)no1)N(C)C ZINC000295772255 386084063 /nfs/dbraw/zinc/08/40/63/386084063.db2.gz BTTSKAAGSNSIPV-SNVBAGLBSA-N 0 1 232.287 2.144 20 0 BEADMN C[C@H](NCc1csc(Cl)n1)[C@H]1CCOC1 ZINC000295795115 386087208 /nfs/dbraw/zinc/08/72/08/386087208.db2.gz RXDJGBIOYWEUQN-YUMQZZPRSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H](NCc1csc(Cl)n1)[C@@H]1CCOC1 ZINC000295795111 386088164 /nfs/dbraw/zinc/08/81/64/386088164.db2.gz RXDJGBIOYWEUQN-JGVFFNPUSA-N 0 1 246.763 2.311 20 0 BEADMN CN(Cc1nccn1C)C1CCC(F)(F)CC1 ZINC000286989393 386089225 /nfs/dbraw/zinc/08/92/25/386089225.db2.gz PHRXECHPZMUWMV-UHFFFAOYSA-N 0 1 243.301 2.430 20 0 BEADMN OCCC1(CNCc2c(F)cccc2F)CC1 ZINC000157360403 386094265 /nfs/dbraw/zinc/09/42/65/386094265.db2.gz KGXNBXCUAQISPG-UHFFFAOYSA-N 0 1 241.281 2.217 20 0 BEADMN CN(Cc1cncc(F)c1)C[C@H]1CCCCO1 ZINC000274368781 386094758 /nfs/dbraw/zinc/09/47/58/386094758.db2.gz PMNGJVOVIVUWRD-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1ccc(CN2CC[N@H+](C)CC[C@H]2C)o1 ZINC000334453252 386095113 /nfs/dbraw/zinc/09/51/13/386095113.db2.gz DEZNSXITUNTUHQ-LLVKDONJSA-N 0 1 222.332 2.114 20 0 BEADMN CCc1ncc(CNCc2ccsc2)cn1 ZINC000414289668 386099389 /nfs/dbraw/zinc/09/93/89/386099389.db2.gz RTQWCNQRZPFOJA-UHFFFAOYSA-N 0 1 233.340 2.390 20 0 BEADMN Cc1ccc(C)c([C@H](C)N(C)CC(=O)N(C)C)c1 ZINC000346277162 386189654 /nfs/dbraw/zinc/18/96/54/386189654.db2.gz VUPDONGWFFIJBS-ZDUSSCGKSA-N 0 1 248.370 2.384 20 0 BEADMN CC[C@@H](F)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000440793188 386154696 /nfs/dbraw/zinc/15/46/96/386154696.db2.gz OOTNGYSFHLKYPR-ZJUUUORDSA-N 0 1 226.299 2.080 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1nccn1C ZINC000414352143 386156183 /nfs/dbraw/zinc/15/61/83/386156183.db2.gz SSCAUUNSCZGIIC-GMTAPVOTSA-N 0 1 231.299 2.220 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCCC[C@H]1C ZINC000346137774 386165402 /nfs/dbraw/zinc/16/54/02/386165402.db2.gz JAFTZUCDQIHCMV-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2ccccc2F)[nH]1 ZINC000334478836 386166491 /nfs/dbraw/zinc/16/64/91/386166491.db2.gz SCESVAPOKKFASA-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CS[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000296374280 386168547 /nfs/dbraw/zinc/16/85/47/386168547.db2.gz RRMMQICYRPXKTB-LLVKDONJSA-N 0 1 242.413 2.431 20 0 BEADMN CCC[C@@H](O)C[N@H+]1CCc2ccsc2C1 ZINC000296375974 386168862 /nfs/dbraw/zinc/16/88/62/386168862.db2.gz SYNWBBAKYKOQMP-LLVKDONJSA-N 0 1 225.357 2.267 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000296641592 386190665 /nfs/dbraw/zinc/19/06/65/386190665.db2.gz CDPUIKVUUJEFTN-HTQZYQBOSA-N 0 1 246.713 2.387 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCCC1)c1ncn(C)n1 ZINC000336753773 386171824 /nfs/dbraw/zinc/17/18/24/386171824.db2.gz WQOMHINXVXDPBK-VHSXEESVSA-N 0 1 222.336 2.044 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H](N)c1ccccc1C ZINC000296415871 386172600 /nfs/dbraw/zinc/17/26/00/386172600.db2.gz MGVAWGSDCJGHGD-CQSZACIVSA-N 0 1 248.370 2.499 20 0 BEADMN CCc1ccc(CN(CCOC)C2CC2)nc1 ZINC000338910502 386174808 /nfs/dbraw/zinc/17/48/08/386174808.db2.gz FEZUJLBAWKZETA-UHFFFAOYSA-N 0 1 234.343 2.255 20 0 BEADMN CC1(C)CCN(Cc2cncc(F)c2)C1 ZINC000275102651 386179600 /nfs/dbraw/zinc/17/96/00/386179600.db2.gz DAYVBKVJNHXFGA-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCCN(CC(C)C)C(=O)c1ccnc(CN)c1 ZINC000311110002 386183067 /nfs/dbraw/zinc/18/30/67/386183067.db2.gz UYXDSYFSLJZPMR-UHFFFAOYSA-N 0 1 249.358 2.049 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1c(O)cccc1F ZINC000275140526 386184686 /nfs/dbraw/zinc/18/46/86/386184686.db2.gz PVNTXFFYODHXKE-MRVPVSSYSA-N 0 1 241.262 2.333 20 0 BEADMN CN(C)c1ccccc1CNCc1ccncc1 ZINC000263892169 386188184 /nfs/dbraw/zinc/18/81/84/386188184.db2.gz NPWSGAKBAGGDNB-UHFFFAOYSA-N 0 1 241.338 2.437 20 0 BEADMN CCCc1cccc(CNCc2cnnn2C)c1 ZINC000288334333 386188411 /nfs/dbraw/zinc/18/84/11/386188411.db2.gz AVPSRFCBWPQPEZ-UHFFFAOYSA-N 0 1 244.342 2.057 20 0 BEADMN C/C=C\c1ccc(NC(=O)N2CCNCC2)cc1 ZINC000415737767 386126194 /nfs/dbraw/zinc/12/61/94/386126194.db2.gz GNXQDLPSOHOILI-IHWYPQMZSA-N 0 1 245.326 2.157 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cnccn1 ZINC000414333134 386127014 /nfs/dbraw/zinc/12/70/14/386127014.db2.gz HGRPOLTZDVERIN-HBNTYKKESA-N 0 1 229.283 2.276 20 0 BEADMN C/C=C/c1ccc(NC(=O)N2CCNCC2)cc1 ZINC000415737769 386127583 /nfs/dbraw/zinc/12/75/83/386127583.db2.gz GNXQDLPSOHOILI-NSCUHMNNSA-N 0 1 245.326 2.157 20 0 BEADMN COc1nccnc1CNCCCC(C)(F)F ZINC000296045065 386129819 /nfs/dbraw/zinc/12/98/19/386129819.db2.gz OFSPPJDHYHNAKI-UHFFFAOYSA-N 0 1 245.273 2.010 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccn(C)n1 ZINC000414349141 386129838 /nfs/dbraw/zinc/12/98/38/386129838.db2.gz OWFVEZAUEXNKLQ-HOSYDEDBSA-N 0 1 231.299 2.220 20 0 BEADMN Cc1ncc(C[N@@H+](CC(C)(C)O)C2CC2)s1 ZINC000189924174 386130977 /nfs/dbraw/zinc/13/09/77/386130977.db2.gz BQBJBTWWPCSOJN-UHFFFAOYSA-N 0 1 240.372 2.187 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[C@H](CO)C2)no1 ZINC000414341641 386133386 /nfs/dbraw/zinc/13/33/86/386133386.db2.gz OPGJFJMFJUMBKR-SRVKXCTJSA-N 0 1 238.331 2.185 20 0 BEADMN CCn1ccnc1NCc1ccc2c(c1)CCO2 ZINC000414304827 386137028 /nfs/dbraw/zinc/13/70/28/386137028.db2.gz REKNAKGRISFPHZ-UHFFFAOYSA-N 0 1 243.310 2.450 20 0 BEADMN CO[C@@H](CSc1cn[nH]n1)Cc1ccccc1 ZINC000296098121 386138727 /nfs/dbraw/zinc/13/87/27/386138727.db2.gz UJVOTTQFPDMMNZ-LLVKDONJSA-N 0 1 249.339 2.155 20 0 BEADMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)C1CC1 ZINC000287706124 386143531 /nfs/dbraw/zinc/14/35/31/386143531.db2.gz JHRWJRRAAMTUBQ-UHFFFAOYSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H]1O)c1cc(F)ccc1F ZINC000393948304 386204878 /nfs/dbraw/zinc/20/48/78/386204878.db2.gz UPSQRVSNQSHJHG-UPZJHPNMSA-N 0 1 227.254 2.139 20 0 BEADMN CCOCCN(CC)Cc1cncc(F)c1 ZINC000347052773 386206574 /nfs/dbraw/zinc/20/65/74/386206574.db2.gz LFMHBOZYIGAXQJ-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN CC[C@H](C)CN(CC)[C@@H](C)c1nncn1C ZINC000347059540 386209086 /nfs/dbraw/zinc/20/90/86/386209086.db2.gz RZELLIUUOIXCAF-QWRGUYRKSA-N 0 1 224.352 2.244 20 0 BEADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@H]1CCOC1 ZINC000453227032 386259719 /nfs/dbraw/zinc/25/97/19/386259719.db2.gz AESUUCLUCGGEPU-AEJSXWLSSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@H]1CCC[C@H](C)C1 ZINC000452060037 386214054 /nfs/dbraw/zinc/21/40/54/386214054.db2.gz LMSDXVAIZQNPPZ-SRVKXCTJSA-N 0 1 248.374 2.194 20 0 BEADMN CC(C)C[C@H]1CCN([C@H](C)c2nncn2C)C1 ZINC000347073636 386215260 /nfs/dbraw/zinc/21/52/60/386215260.db2.gz KNEPNPBXCGYSKY-VXGBXAGGSA-N 0 1 236.363 2.244 20 0 BEADMN CCc1ccc(CN(C)CCSC)nc1 ZINC000339025818 386216048 /nfs/dbraw/zinc/21/60/48/386216048.db2.gz SNYAWZXDRXLIPS-UHFFFAOYSA-N 0 1 224.373 2.439 20 0 BEADMN CC[C@H](N[C@@H](CC)[C@H]1CCOC1)C(F)F ZINC000453227034 386259855 /nfs/dbraw/zinc/25/98/55/386259855.db2.gz AESUUCLUCGGEPU-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](O)C1CCN(Cc2ccccc2F)CC1 ZINC000225781091 386216907 /nfs/dbraw/zinc/21/69/07/386216907.db2.gz KLKQACHADFSECJ-NSHDSACASA-N 0 1 237.318 2.419 20 0 BEADMN CCCCN(C)Cc1cnc([C@H](C)O)s1 ZINC000289086155 386259984 /nfs/dbraw/zinc/25/99/84/386259984.db2.gz KWQFCAKIUWGSSZ-VIFPVBQESA-N 0 1 228.361 2.428 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CC12CC2 ZINC000643332987 386223220 /nfs/dbraw/zinc/22/32/20/386223220.db2.gz LGZXHNLJQHEYGY-VIFPVBQESA-N 0 1 227.267 2.302 20 0 BEADMN Cc1cnc([C@H](C)NCc2cnc[nH]2)s1 ZINC000125179885 386224556 /nfs/dbraw/zinc/22/45/56/386224556.db2.gz FFOJYSIACTUNRZ-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN COC(C)(C)CCN1CCC=C(F)C1 ZINC000340561103 386227748 /nfs/dbraw/zinc/22/77/48/386227748.db2.gz NMPKLZRTYKYNQH-UHFFFAOYSA-N 0 1 201.285 2.361 20 0 BEADMN CC[C@H](O)CN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000339060075 386228701 /nfs/dbraw/zinc/22/87/01/386228701.db2.gz SBRADLYASWQCDG-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCCCO2)c1 ZINC000276005584 386260493 /nfs/dbraw/zinc/26/04/93/386260493.db2.gz PDXBVDFIXLJZCQ-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN CC(C)(C)CC(=O)NCc1ccc2cncn2c1 ZINC000297264013 386237165 /nfs/dbraw/zinc/23/71/65/386237165.db2.gz PIBJTKSADCQFFC-UHFFFAOYSA-N 0 1 245.326 2.387 20 0 BEADMN C(O[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1)C1CC1 ZINC000339092274 386243332 /nfs/dbraw/zinc/24/33/32/386243332.db2.gz DWPUEGOKUSGDFN-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN CCOc1cc(CN[C@@H](C)CF)ccc1O ZINC000297382141 386248295 /nfs/dbraw/zinc/24/82/95/386248295.db2.gz INTHFGGXLPFEOL-VIFPVBQESA-N 0 1 227.279 2.239 20 0 BEADMN CCCCN(C(=O)c1cnc(C)[nH]1)C1CC1 ZINC000264604151 386252917 /nfs/dbraw/zinc/25/29/17/386252917.db2.gz FREANIIGVNSGFN-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN CCN(Cc1cnc([C@@H](C)O)s1)C(C)C ZINC000289037656 386254639 /nfs/dbraw/zinc/25/46/39/386254639.db2.gz HONLHQGQNTVECI-SECBINFHSA-N 0 1 228.361 2.427 20 0 BEADMN Cc1ncc(C(=O)N([C@@H](C)C(C)C)C2CC2)[nH]1 ZINC000264626467 386254919 /nfs/dbraw/zinc/25/49/19/386254919.db2.gz MSENSISUIGBJLI-VIFPVBQESA-N 0 1 235.331 2.367 20 0 BEADMN CCOc1cccc(C[N@@H+](CCO)C2CCC2)c1 ZINC000275976200 386256808 /nfs/dbraw/zinc/25/68/08/386256808.db2.gz LSDWBCXSDFZDHW-UHFFFAOYSA-N 0 1 249.354 2.432 20 0 BEADMN Cc1cncc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000275969579 386257684 /nfs/dbraw/zinc/25/76/84/386257684.db2.gz IUODKKCKTLWRLR-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CCCN(CC)CC(=O)Nc1ccc(F)cc1 ZINC000346341171 386194205 /nfs/dbraw/zinc/19/42/05/386194205.db2.gz DHTMWGKRQANUTG-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000264907360 386281119 /nfs/dbraw/zinc/28/11/19/386281119.db2.gz YNEDEAJYIYMSRO-ONGXEEELSA-N 0 1 235.331 2.369 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCOC2CCC2)CCO1 ZINC000347211180 386284714 /nfs/dbraw/zinc/28/47/14/386284714.db2.gz QOXHDXCIMOPVKO-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)COCCN1C[C@H](C)OC(C)(C)C1 ZINC000336664834 386288601 /nfs/dbraw/zinc/28/86/01/386288601.db2.gz HLHUNOYEWWINCP-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC000264964033 386290386 /nfs/dbraw/zinc/29/03/86/386290386.db2.gz AUUYGYZPAALPOO-ZDUSSCGKSA-N 0 1 232.327 2.052 20 0 BEADMN C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCC1 ZINC000264988024 386291557 /nfs/dbraw/zinc/29/15/57/386291557.db2.gz BHMPWTAYMMAIHN-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN CO[C@@H]1CN(Cc2ccc(F)cn2)CC[C@H]1C ZINC000276280698 386295714 /nfs/dbraw/zinc/29/57/14/386295714.db2.gz UCPMVPRAPQIVGN-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276280961 386296401 /nfs/dbraw/zinc/29/64/01/386296401.db2.gz UFCVTULEDUEPSG-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)o1 ZINC000336661177 386300760 /nfs/dbraw/zinc/30/07/60/386300760.db2.gz FKQIVASILUJYIQ-KXUCPTDWSA-N 0 1 223.320 2.244 20 0 BEADMN Cc1nocc1CNCCOC1CCCCC1 ZINC000339209324 386300889 /nfs/dbraw/zinc/30/08/89/386300889.db2.gz MTFYKCGELMNYCS-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CN(CCCC(=O)[O-])c1cc[nH+]cc1Cl ZINC000416423951 386301669 /nfs/dbraw/zinc/30/16/69/386301669.db2.gz ZAJVSYRLHRJRHX-UHFFFAOYSA-N 0 1 228.679 2.036 20 0 BEADMN CCCCCNC(=O)c1ccc(CN(C)C)nc1 ZINC000339227471 386305997 /nfs/dbraw/zinc/30/59/97/386305997.db2.gz BJKFUYQIGVDLPA-UHFFFAOYSA-N 0 1 249.358 2.063 20 0 BEADMN COCc1cc(CNCCC2(C)CC2)no1 ZINC000298198512 386309539 /nfs/dbraw/zinc/30/95/39/386309539.db2.gz XPRAYJVYEMLFPO-UHFFFAOYSA-N 0 1 224.304 2.101 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1cccnc1 ZINC000265128966 386309758 /nfs/dbraw/zinc/30/97/58/386309758.db2.gz MMGCCAKPBFQLMX-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1C ZINC000334483007 386313702 /nfs/dbraw/zinc/31/37/02/386313702.db2.gz XOWDJTCIUARSNQ-NXEZZACHSA-N 0 1 247.342 2.405 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)NCCN1CC=CCC1 ZINC000347274043 386314182 /nfs/dbraw/zinc/31/41/82/386314182.db2.gz YNGNOUBCILIQGF-OLZOCXBDSA-N 0 1 238.375 2.047 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1C ZINC000334483010 386314611 /nfs/dbraw/zinc/31/46/11/386314611.db2.gz XOWDJTCIUARSNQ-VHSXEESVSA-N 0 1 247.342 2.405 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CCC1CC1 ZINC000347279078 386314965 /nfs/dbraw/zinc/31/49/65/386314965.db2.gz PYALHUDZXWRWNN-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN CCSCCN(CC(=O)OC)C1CCCC1 ZINC000125759883 386315491 /nfs/dbraw/zinc/31/54/91/386315491.db2.gz OWHABPATQCUOBJ-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CC(C)COCCN1CCOC(C)(C)[C@@H]1C ZINC000336670832 386315973 /nfs/dbraw/zinc/31/59/73/386315973.db2.gz XKQVPJPMPWMLOK-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000265210003 386318229 /nfs/dbraw/zinc/31/82/29/386318229.db2.gz DUOAYXREKISRMN-GZMMTYOYSA-N 0 1 235.331 2.335 20 0 BEADMN Cc1cc(CN2CCC[C@H]3CCC[C@H]32)nn1C ZINC000336678674 386318603 /nfs/dbraw/zinc/31/86/03/386318603.db2.gz BVBDEYRBWFMPHD-TZMCWYRMSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(C)(F)F ZINC000453281782 386322534 /nfs/dbraw/zinc/32/25/34/386322534.db2.gz HSUDZVBAFVBCRQ-WCABBAIRSA-N 0 1 232.318 2.102 20 0 BEADMN CN(C)CC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416293215 386261636 /nfs/dbraw/zinc/26/16/36/386261636.db2.gz QLKIFHDFIHOEQN-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc(CN2CCCC[C@H]2C)nn1C ZINC000336652514 386269376 /nfs/dbraw/zinc/26/93/76/386269376.db2.gz WSWQRDCBGVGJNU-SNVBAGLBSA-N 0 1 207.321 2.103 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cc(COC)on1 ZINC000297638176 386269737 /nfs/dbraw/zinc/26/97/37/386269737.db2.gz IFEFVLOVJSGZKS-SNVBAGLBSA-N 0 1 226.320 2.299 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000264812592 386270984 /nfs/dbraw/zinc/27/09/84/386270984.db2.gz BNKOALSLAFKYIB-JTQLQIEISA-N 0 1 247.346 2.346 20 0 BEADMN COCc1cc(CN2CCCC2(C)C)no1 ZINC000297735594 386275097 /nfs/dbraw/zinc/27/50/97/386275097.db2.gz KDRROPTVMWGPFF-UHFFFAOYSA-N 0 1 224.304 2.195 20 0 BEADMN CCCCN(C(=O)c1cnc[nH]1)[C@@H](C)CC ZINC000265486172 386344164 /nfs/dbraw/zinc/34/41/64/386344164.db2.gz BCXGUJDJLZNTDV-JTQLQIEISA-N 0 1 223.320 2.451 20 0 BEADMN CCCCOCCN1CC[C@](C)(F)C1 ZINC000347349832 386346161 /nfs/dbraw/zinc/34/61/61/386346161.db2.gz ITFVICYVSYKLEC-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000265621000 386352884 /nfs/dbraw/zinc/35/28/84/386352884.db2.gz NJYAWIIKXZNBBS-NXEZZACHSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H]1COCCN1CCSC(C)C ZINC000336685024 386357407 /nfs/dbraw/zinc/35/74/07/386357407.db2.gz KDHSSWZGLUFWNB-NSHDSACASA-N 0 1 217.378 2.239 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC(=O)N2CCC2)cc1 ZINC000298581663 386360181 /nfs/dbraw/zinc/36/01/81/386360181.db2.gz MPNFQJWMFNRJQD-ZDUSSCGKSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)nn1 ZINC000335272708 386362762 /nfs/dbraw/zinc/36/27/62/386362762.db2.gz PGISPHYGSIRKFJ-WCQYABFASA-N 0 1 217.316 2.159 20 0 BEADMN Nc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccn1 ZINC000298628038 386365761 /nfs/dbraw/zinc/36/57/61/386365761.db2.gz OFPFLMZEGRSKBL-CYBMUJFWSA-N 0 1 242.326 2.329 20 0 BEADMN COc1cc(CNCc2n[nH]cc2C)ccc1C ZINC000289896618 386366752 /nfs/dbraw/zinc/36/67/52/386366752.db2.gz NDEKXOYUYOBLKA-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000276759584 386372067 /nfs/dbraw/zinc/37/20/67/386372067.db2.gz ACEUWAOQUDQLBQ-ZJUUUORDSA-N 0 1 247.346 2.497 20 0 BEADMN Cc1c(C[N@@H+]2CCSCC[C@H]2C)cnn1C ZINC000276788634 386375292 /nfs/dbraw/zinc/37/52/92/386375292.db2.gz KRJKOVBMRAXJNB-SNVBAGLBSA-N 0 1 239.388 2.056 20 0 BEADMN Cc1cnc(CN(C)CC2CCCC2)nc1 ZINC000336695721 386375364 /nfs/dbraw/zinc/37/53/64/386375364.db2.gz GMYQUKMGPWKFFU-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1ccc([C@H](C)N(C)C(=O)CN(C)C)c(C)c1 ZINC000298713046 386375447 /nfs/dbraw/zinc/37/54/47/386375447.db2.gz NQMQLWDWGAILLU-ZDUSSCGKSA-N 0 1 248.370 2.384 20 0 BEADMN CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1OC ZINC000276791255 386375838 /nfs/dbraw/zinc/37/58/38/386375838.db2.gz BMBMOBCKIPVWTO-QHLGLPELSA-N 0 1 247.338 2.045 20 0 BEADMN CO[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H]1OC ZINC000276791255 386375843 /nfs/dbraw/zinc/37/58/43/386375843.db2.gz BMBMOBCKIPVWTO-QHLGLPELSA-N 0 1 247.338 2.045 20 0 BEADMN Cc1cc(CN2CCC3(CCC3)C2)nn1C ZINC000336696886 386377302 /nfs/dbraw/zinc/37/73/02/386377302.db2.gz HOJBLOUXEAZGPF-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1nnc(C2CC2)[nH]1 ZINC000347393081 386379130 /nfs/dbraw/zinc/37/91/30/386379130.db2.gz MIIOMKZAASLVLZ-LLVKDONJSA-N 0 1 234.347 2.303 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@@](C)(CC)C2)n1 ZINC000336697238 386379224 /nfs/dbraw/zinc/37/92/24/386379224.db2.gz FNBOBTUEOOLVMU-CQSZACIVSA-N 0 1 249.358 2.367 20 0 BEADMN CC(C)(O)CN1CCc2cc(Cl)ccc2C1 ZINC000276843468 386381603 /nfs/dbraw/zinc/38/16/03/386381603.db2.gz SKIKVKBJWPCJLV-UHFFFAOYSA-N 0 1 239.746 2.469 20 0 BEADMN c1csc([C@H]2CCCN2CC2OCCO2)c1 ZINC000265898363 386383893 /nfs/dbraw/zinc/38/38/93/386383893.db2.gz NOTFEOOVZMKDFJ-SNVBAGLBSA-N 0 1 239.340 2.258 20 0 BEADMN C[C@H](NCC[NH+](C)C)c1nccc2ccccc21 ZINC000290024660 386384659 /nfs/dbraw/zinc/38/46/59/386384659.db2.gz APFCXYOMPXDRHS-LBPRGKRZSA-N 0 1 243.354 2.447 20 0 BEADMN CCc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)n[nH]1 ZINC000335274528 386330803 /nfs/dbraw/zinc/33/08/03/386330803.db2.gz RTAJJAUWFOOCBZ-SECBINFHSA-N 0 1 233.315 2.010 20 0 BEADMN CC(C)n1ncnc1CN1C[C@H](C)C[C@H]1C ZINC000335274354 386330833 /nfs/dbraw/zinc/33/08/33/386330833.db2.gz MMJGKOGZHRINKN-GHMZBOCLSA-N 0 1 222.336 2.089 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1scnc1C ZINC000290449660 386436854 /nfs/dbraw/zinc/43/68/54/386436854.db2.gz OLOARVYCGJMYLX-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2C[C@H](C)O)o1 ZINC000336717668 386439297 /nfs/dbraw/zinc/43/92/97/386439297.db2.gz USAKSXCGKMFTTE-JQWIXIFHSA-N 0 1 238.331 2.108 20 0 BEADMN CN(Cc1cnns1)CC1CCCC1 ZINC000336699691 386388317 /nfs/dbraw/zinc/38/83/17/386388317.db2.gz WXMIDDRUXKKQKR-UHFFFAOYSA-N 0 1 211.334 2.160 20 0 BEADMN Cc1c[nH]nc1CN[C@@H]1CCc2ccccc21 ZINC000290075285 386390911 /nfs/dbraw/zinc/39/09/11/386390911.db2.gz YNNWWNULXSHRPA-CYBMUJFWSA-N 0 1 227.311 2.495 20 0 BEADMN C/C=C(\CC)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000276976918 386397856 /nfs/dbraw/zinc/39/78/56/386397856.db2.gz UNKBIMXYVOEKSY-LFYBBSHMSA-N 0 1 247.342 2.438 20 0 BEADMN C[C@H](O)CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000336706025 386399486 /nfs/dbraw/zinc/39/94/86/386399486.db2.gz VDKFPVSDXQWQJD-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc(C2CC2)[nH]1 ZINC000347443094 386403471 /nfs/dbraw/zinc/40/34/71/386403471.db2.gz RFFMLXRBQHUYPY-MWLCHTKSSA-N 0 1 234.347 2.303 20 0 BEADMN CC/C=C\CN[C@H](CC)c1nccn1C ZINC000453319454 386404818 /nfs/dbraw/zinc/40/48/18/386404818.db2.gz MHJUREIHLOEPND-JMEBYUIHSA-N 0 1 207.321 2.427 20 0 BEADMN CC(C)c1cc(C(=O)N(C)C2CCC2)n[nH]1 ZINC000266183454 386407387 /nfs/dbraw/zinc/40/73/87/386407387.db2.gz SOIDCZIXIIUKIE-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN Cc1cc(CN[C@@H]2CC23CCCC3)nn1C ZINC000414428084 386410060 /nfs/dbraw/zinc/41/00/60/386410060.db2.gz AZYWNLBCFDSQBD-GFCCVEGCSA-N 0 1 219.332 2.151 20 0 BEADMN CCN(CCOC)Cc1cc(F)ccc1OC ZINC000299133229 386417072 /nfs/dbraw/zinc/41/70/72/386417072.db2.gz NDNZKHAJXUWKLZ-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CC(C)N(CC(=O)OC(C)(C)C)C(C)C ZINC000034485083 386423165 /nfs/dbraw/zinc/42/31/65/386423165.db2.gz XXAZUYBKUODRFC-UHFFFAOYSA-N 0 1 215.337 2.447 20 0 BEADMN Cc1cn[nH]c1CN(CC(F)F)C(C)C ZINC000290368150 386424909 /nfs/dbraw/zinc/42/49/09/386424909.db2.gz HKQWIYRIFQRCSQ-UHFFFAOYSA-N 0 1 217.263 2.194 20 0 BEADMN CCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000299198091 386426300 /nfs/dbraw/zinc/42/63/00/386426300.db2.gz QPKHXEJKKLPXGE-UHFFFAOYSA-N 0 1 231.299 2.022 20 0 BEADMN CCc1ccc(CNCc2ccnn2C)cc1 ZINC000020349265 386432476 /nfs/dbraw/zinc/43/24/76/386432476.db2.gz MSYYCUNDCHMWAH-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CCc1ncc(CN[C@H](C)CC(F)(F)F)cn1 ZINC000414432315 386434979 /nfs/dbraw/zinc/43/49/79/386434979.db2.gz MIYDVKUKZJJIHW-MRVPVSSYSA-N 0 1 247.264 2.470 20 0 BEADMN Cn1cccc1CN(CCO)Cc1ccccc1 ZINC000266858952 386475058 /nfs/dbraw/zinc/47/50/58/386475058.db2.gz VWHZGSACVFBITG-UHFFFAOYSA-N 0 1 244.338 2.020 20 0 BEADMN Cc1cc(CN[C@@H]2CCC[C@@H](F)C2)no1 ZINC000335426094 386480003 /nfs/dbraw/zinc/48/00/03/386480003.db2.gz YLUJNYWYTOXISN-NXEZZACHSA-N 0 1 212.268 2.353 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000290864348 386484188 /nfs/dbraw/zinc/48/41/88/386484188.db2.gz YZBHCNLEINITHS-SFYZADRCSA-N 0 1 249.318 2.295 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@H]1C ZINC000339582080 386484837 /nfs/dbraw/zinc/48/48/37/386484837.db2.gz OUZCXYXEGVFAPX-UTUOFQBUSA-N 0 1 238.375 2.164 20 0 BEADMN Cn1cc(CN[C@H]2CCC[C@H]2F)c(C(F)F)n1 ZINC000339581800 386484998 /nfs/dbraw/zinc/48/49/98/386484998.db2.gz CDCAWIUYHBPXAF-BDAKNGLRSA-N 0 1 247.264 2.338 20 0 BEADMN C[C@H]1CN(Cc2nc(C3CC3)nn2C)C(C)(C)C1 ZINC000335453795 386529115 /nfs/dbraw/zinc/52/91/15/386529115.db2.gz YPKFILBRDGERGA-SNVBAGLBSA-N 0 1 248.374 2.313 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)C)n[nH]1 ZINC000278047741 386486137 /nfs/dbraw/zinc/48/61/37/386486137.db2.gz ZTYXTDCBXYKMSQ-IUCAKERBSA-N 0 1 238.335 2.151 20 0 BEADMN C[C@H](C(=O)NCC(C)(F)F)N1CCCCCC1 ZINC000519565964 386489791 /nfs/dbraw/zinc/48/97/91/386489791.db2.gz QXTMULNKXJQJCA-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1ccc(CN2CCSC[C@@H]2C)nc1 ZINC000335435650 386494633 /nfs/dbraw/zinc/49/46/33/386494633.db2.gz IJLCFTPDPGNDCC-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CCc1ncc(CN2CCC[C@@](C)(OC)C2)cn1 ZINC000414445470 386495929 /nfs/dbraw/zinc/49/59/29/386495929.db2.gz MNRXEKCKBNMCAR-CQSZACIVSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H](C)N(C)[C@@H](C)C2)o1 ZINC000339629859 386499039 /nfs/dbraw/zinc/49/90/39/386499039.db2.gz USATVSIYJYWNKK-UMNHJUIQSA-N 0 1 237.347 2.068 20 0 BEADMN Cc1cnn(CCN(C)[C@@H](C)c2ccccn2)c1 ZINC000336791027 386500869 /nfs/dbraw/zinc/50/08/69/386500869.db2.gz ZAHRVDBCEOZEGY-ZDUSSCGKSA-N 0 1 244.342 2.280 20 0 BEADMN CO[C@H](CN[C@@H](C)c1nccn1C)CC(C)C ZINC000417330497 386501016 /nfs/dbraw/zinc/50/10/16/386501016.db2.gz DXADQGKYDKFDND-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN CC[N@@H+](CCO)[C@@H](C)c1ccccc1F ZINC000267149291 386501783 /nfs/dbraw/zinc/50/17/83/386501783.db2.gz LVIPGFJYMKNYGO-JTQLQIEISA-N 0 1 211.280 2.201 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H](c2cccnc2)C1 ZINC000335443263 386504119 /nfs/dbraw/zinc/50/41/19/386504119.db2.gz MAQBVTYLSLVMAP-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN COc1ncncc1CN(C)C1CC(C)(C)C1 ZINC000648043369 386505819 /nfs/dbraw/zinc/50/58/19/386505819.db2.gz VFMAYSBOSARBJP-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000054298302 386505917 /nfs/dbraw/zinc/50/59/17/386505917.db2.gz UVFVYAILPPMLMH-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nc(CN[C@H]2CC(C)(C)OC2(C)C)co1 ZINC000647971373 386506828 /nfs/dbraw/zinc/50/68/28/386506828.db2.gz CRNMHNZVUCFOSL-NSHDSACASA-N 0 1 238.331 2.419 20 0 BEADMN c1nc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c[nH]1 ZINC000366454552 386508651 /nfs/dbraw/zinc/50/86/51/386508651.db2.gz DCZXFWGXJBZSPS-OLZOCXBDSA-N 0 1 249.358 2.048 20 0 BEADMN C[C@@H](CCC(F)(F)F)NCc1ncccn1 ZINC000519620014 386508960 /nfs/dbraw/zinc/50/89/60/386508960.db2.gz XGFAQCIWURTKCI-QMMMGPOBSA-N 0 1 233.237 2.297 20 0 BEADMN Cc1ccnc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339670765 386510741 /nfs/dbraw/zinc/51/07/41/386510741.db2.gz CRMBZSRWKRNVFF-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN CCN(CC(N)=O)Cc1ccc(C2CCC2)cc1 ZINC000278324555 386510948 /nfs/dbraw/zinc/51/09/48/386510948.db2.gz APWJOXMBHZYODS-UHFFFAOYSA-N 0 1 246.354 2.261 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CCOC2(C)C)on1 ZINC000645411157 386514032 /nfs/dbraw/zinc/51/40/32/386514032.db2.gz NNEDJQSXPATCBH-GFCCVEGCSA-N 0 1 238.331 2.455 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000525865082 386514444 /nfs/dbraw/zinc/51/44/44/386514444.db2.gz YFKJACSKUCOZSI-VIFPVBQESA-N 0 1 246.314 2.074 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@H]1CF ZINC000335448726 386517869 /nfs/dbraw/zinc/51/78/69/386517869.db2.gz ZFDVOCXNVRUWLX-VIFPVBQESA-N 0 1 241.237 2.105 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339679636 386520662 /nfs/dbraw/zinc/52/06/62/386520662.db2.gz LJNXRJYBLMTPLH-CYBMUJFWSA-N 0 1 246.354 2.330 20 0 BEADMN CCc1ncc(CN(C(C)C)[C@@H]2CCOC2)cn1 ZINC000414448705 386523053 /nfs/dbraw/zinc/52/30/53/386523053.db2.gz BCYHNHSITKZYTM-CYBMUJFWSA-N 0 1 249.358 2.038 20 0 BEADMN C[C@@H](O)CCCNCc1c(F)cccc1F ZINC000227955447 386526444 /nfs/dbraw/zinc/52/64/44/386526444.db2.gz WADGFPWANKMIFF-SECBINFHSA-N 0 1 229.270 2.215 20 0 BEADMN C[C@H](O)CCCNCc1c(F)cccc1F ZINC000227955458 386527386 /nfs/dbraw/zinc/52/73/86/386527386.db2.gz WADGFPWANKMIFF-VIFPVBQESA-N 0 1 229.270 2.215 20 0 BEADMN CC[C@H](CSC)N(C)Cc1ccnn1CC ZINC000290551596 386453966 /nfs/dbraw/zinc/45/39/66/386453966.db2.gz RVHDQDMBVHPYLJ-LLVKDONJSA-N 0 1 241.404 2.476 20 0 BEADMN Cc1cn[nH]c1CN1CCc2c(F)cccc2C1 ZINC000290578204 386455819 /nfs/dbraw/zinc/45/58/19/386455819.db2.gz ZGCGSXYPQSXEGC-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN C[C@@H]1N(C[C@@H]2CCC(C)(C)O2)CCOC1(C)C ZINC000336724258 386457556 /nfs/dbraw/zinc/45/75/56/386457556.db2.gz KUSINKCWXJKZRJ-RYUDHWBXSA-N 0 1 241.375 2.443 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CCC(C)(C)O1 ZINC000299503464 386458320 /nfs/dbraw/zinc/45/83/20/386458320.db2.gz BTBYDDVDDHSHOB-CYBMUJFWSA-N 0 1 234.343 2.471 20 0 BEADMN CCOc1nnc(CN[C@H]2CCC[C@@H]2C)s1 ZINC000336778267 386458529 /nfs/dbraw/zinc/45/85/29/386458529.db2.gz KWGUVKSUKJGYEK-IUCAKERBSA-N 0 1 241.360 2.215 20 0 BEADMN C[C@H](NCc1cc[nH]c1)c1cncc(F)c1 ZINC000336778364 386461596 /nfs/dbraw/zinc/46/15/96/386461596.db2.gz LEYUHQWPXOWWCW-VIFPVBQESA-N 0 1 219.263 2.400 20 0 BEADMN CCc1ccc(CN2CCC[C@@H](OC)C2)cn1 ZINC000347657914 386462498 /nfs/dbraw/zinc/46/24/98/386462498.db2.gz VFOHWZNRTCAFQW-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN COCc1cc(CN[C@@H]2CCC[C@@H](F)C2)no1 ZINC000648048614 386580128 /nfs/dbraw/zinc/58/01/28/386580128.db2.gz USUFMEVOYWKZEC-NXEZZACHSA-N 0 1 242.294 2.191 20 0 BEADMN Cc1ccc(NC(=O)N2CCN[C@@H](C)C2)c(C)c1 ZINC000335414621 386580855 /nfs/dbraw/zinc/58/08/55/386580855.db2.gz OTRNYZOJGVWQJO-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1ccc(NC(=O)N2CCNC[C@@H]2C)cc1C ZINC000335417082 386585054 /nfs/dbraw/zinc/58/50/54/386585054.db2.gz WEKCFWIVEYAWQR-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN CC(C)C1(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000267817917 386586926 /nfs/dbraw/zinc/58/69/26/386586926.db2.gz VZUPAHFTCIODAY-UHFFFAOYSA-N 0 1 247.342 2.064 20 0 BEADMN CCC1(NC(=O)c2[nH]nc(C)c2C)CCC1 ZINC000267856857 386591525 /nfs/dbraw/zinc/59/15/25/386591525.db2.gz GCMACNUVKZWAKR-UHFFFAOYSA-N 0 1 221.304 2.089 20 0 BEADMN CC(C)(C)CCNC(=O)[C@](C)(N)c1ccccc1 ZINC000124006505 386594611 /nfs/dbraw/zinc/59/46/11/386594611.db2.gz UMPHVOCFIHUXGO-OAHLLOKOSA-N 0 1 248.370 2.413 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCc2ccccc2)C1 ZINC000062935741 386533586 /nfs/dbraw/zinc/53/35/86/386533586.db2.gz IMGWMZYUXVVDHV-OAHLLOKOSA-N 0 1 247.338 2.416 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC2CCCC2)cc1 ZINC000228080564 386537484 /nfs/dbraw/zinc/53/74/84/386537484.db2.gz NCNPVOXZWSNGGP-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC(C)(C)C)cc1 ZINC000228080094 386538068 /nfs/dbraw/zinc/53/80/68/386538068.db2.gz KTKGBTJEURDWPI-LBPRGKRZSA-N 0 1 234.343 2.157 20 0 BEADMN Cc1nc(F)ccc1CN(C)C[C@H]1CCCO1 ZINC000278516962 386538789 /nfs/dbraw/zinc/53/87/89/386538789.db2.gz XOEHTBLLPTUEEO-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@H](N)c2ccc(C)cc2)C1 ZINC000228090152 386540461 /nfs/dbraw/zinc/54/04/61/386540461.db2.gz PXUPMNZULVMUHQ-GXTWGEPZSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000228088485 386542476 /nfs/dbraw/zinc/54/24/76/386542476.db2.gz UIBVWJJJZIDNBH-OBJOEFQTSA-N 0 1 246.354 2.109 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCc3ccccc32)n[nH]1 ZINC000278549422 386544845 /nfs/dbraw/zinc/54/48/45/386544845.db2.gz SZYWZYRXQHVAQQ-CYBMUJFWSA-N 0 1 242.326 2.232 20 0 BEADMN Cc1cnccc1CCN1CCOC(C)(C)[C@H]1C ZINC000335462844 386546197 /nfs/dbraw/zinc/54/61/97/386546197.db2.gz OMUVVPPCJVTMTO-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CCC(C)(C)CC(=O)NCc1cc(C)[nH]n1 ZINC000608587850 386548553 /nfs/dbraw/zinc/54/85/53/386548553.db2.gz MXSPUQVTMXGLKP-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1n[nH]cc1C ZINC000291480107 386552703 /nfs/dbraw/zinc/55/27/03/386552703.db2.gz FRNLPINSDXZBHW-JTQLQIEISA-N 0 1 227.377 2.292 20 0 BEADMN COC[C@@H](CC(C)C)NCc1cc(C)no1 ZINC000336756209 386556097 /nfs/dbraw/zinc/55/60/97/386556097.db2.gz GUVMNBJURSKQAX-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1nc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2s1 ZINC000335403516 386557479 /nfs/dbraw/zinc/55/74/79/386557479.db2.gz MBOXESGGDOYJOB-LLVKDONJSA-N 0 1 248.351 2.171 20 0 BEADMN CC(C)c1nc(CSC2=NCCS2)n[nH]1 ZINC000291567114 386557557 /nfs/dbraw/zinc/55/75/57/386557557.db2.gz CSNXCLFMJVBHBZ-UHFFFAOYSA-N 0 1 242.373 2.264 20 0 BEADMN Cc1noc(CN[C@@]2(C)CCCC[C@H]2C)n1 ZINC000335403205 386558308 /nfs/dbraw/zinc/55/83/08/386558308.db2.gz IJALWDKMWZUGPH-SKDRFNHKSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1cc(CN2CCSC(C)(C)C2)on1 ZINC000267643573 386565652 /nfs/dbraw/zinc/56/56/52/386565652.db2.gz WGALZVBYWXLFLE-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1csc(CC)n1 ZINC000336780918 386568787 /nfs/dbraw/zinc/56/87/87/386568787.db2.gz SODCBNSNHWDQQM-ATPLWMGHSA-N 0 1 240.372 2.122 20 0 BEADMN Cc1cnc(SCc2n[nH]c(C(C)C)n2)nc1 ZINC000291695545 386570146 /nfs/dbraw/zinc/57/01/46/386570146.db2.gz OONLMSRLEQUGJW-UHFFFAOYSA-N 0 1 249.343 2.319 20 0 BEADMN Cc1cnccc1CCN1C[C@@H](C)OC[C@@H]1C ZINC000335409285 386571016 /nfs/dbraw/zinc/57/10/16/386571016.db2.gz SNHOJPUZMZGXDL-QWHCGFSZSA-N 0 1 234.343 2.042 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409839 386571254 /nfs/dbraw/zinc/57/12/54/386571254.db2.gz XCXGBYYAUJFIIV-VXGBXAGGSA-N 0 1 229.389 2.383 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)c2ccccc2)n[nH]1 ZINC000267669026 386572084 /nfs/dbraw/zinc/57/20/84/386572084.db2.gz VBCFPKYUEDXOEZ-JTQLQIEISA-N 0 1 230.315 2.306 20 0 BEADMN CCOCCN1Cc2ccccc2O[C@H](C)C1 ZINC000366486783 386573559 /nfs/dbraw/zinc/57/35/59/386573559.db2.gz YENXOPXHSITWRM-GFCCVEGCSA-N 0 1 235.327 2.306 20 0 BEADMN Cc1cnc(CCN2CCOC(C)(C)C2)c(C)c1 ZINC000335410205 386573579 /nfs/dbraw/zinc/57/35/79/386573579.db2.gz YOJFACPFHHGPAE-UHFFFAOYSA-N 0 1 248.370 2.352 20 0 BEADMN C/C=C/C[C@H](CO)N[C@H](C)c1csc(C)n1 ZINC000336782017 386621738 /nfs/dbraw/zinc/62/17/38/386621738.db2.gz WLTHBVCDRCTJED-ANNNZRCOSA-N 0 1 240.372 2.429 20 0 BEADMN CC(C)c1nc(C[S@@](=O)c2ccccc2)n[nH]1 ZINC000292125204 386624245 /nfs/dbraw/zinc/62/42/45/386624245.db2.gz RSXBZLDGZHBTQR-QGZVFWFLSA-N 0 1 249.339 2.236 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C(C)(C)CC)n1 ZINC000268189945 386627758 /nfs/dbraw/zinc/62/77/58/386627758.db2.gz FOYSZJZXYXIMQT-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)C(C)(C)CC)n1 ZINC000268189945 386627767 /nfs/dbraw/zinc/62/77/67/386627767.db2.gz FOYSZJZXYXIMQT-UHFFFAOYSA-N 0 1 237.347 2.365 20 0 BEADMN Cc1nc(C[S@@](=O)c2cc(C)ccc2C)n[nH]1 ZINC000292184366 386630261 /nfs/dbraw/zinc/63/02/61/386630261.db2.gz YMBHAVQESQGHJB-QGZVFWFLSA-N 0 1 249.339 2.038 20 0 BEADMN CC[C@H](N[C@H]1CN(CC)C[C@@H]1C)C(F)(F)F ZINC000336782183 386631335 /nfs/dbraw/zinc/63/13/35/386631335.db2.gz WWYBJRJFSSVZTJ-GUBZILKMSA-N 0 1 238.297 2.257 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)CC(C)(C)C)n1 ZINC000268250437 386632637 /nfs/dbraw/zinc/63/26/37/386632637.db2.gz UNLQXDFYWWMVSX-UHFFFAOYSA-N 0 1 237.347 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)CC(C)(C)C)n1 ZINC000268250437 386632639 /nfs/dbraw/zinc/63/26/39/386632639.db2.gz UNLQXDFYWWMVSX-UHFFFAOYSA-N 0 1 237.347 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)CC(C)(C)C)n1 ZINC000268250437 386632643 /nfs/dbraw/zinc/63/26/43/386632643.db2.gz UNLQXDFYWWMVSX-UHFFFAOYSA-N 0 1 237.347 2.223 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@H](C2CCCC2)C1 ZINC000335502832 386632665 /nfs/dbraw/zinc/63/26/65/386632665.db2.gz KJQIYBPCGLRJMR-DGCLKSJQSA-N 0 1 248.374 2.388 20 0 BEADMN Cc1cnc(CNC[C@]2(C)CCCC[C@@H]2O)o1 ZINC000638724818 386634680 /nfs/dbraw/zinc/63/46/80/386634680.db2.gz BWDSRKNYYRXZIE-AAEUAGOBSA-N 0 1 238.331 2.014 20 0 BEADMN CCc1nn(C)c(CC)c1CN(C)C1CC1 ZINC000179306161 386635487 /nfs/dbraw/zinc/63/54/87/386635487.db2.gz BSSKRBNDLIDENF-UHFFFAOYSA-N 0 1 221.348 2.139 20 0 BEADMN CN(CCCc1ccccc1)Cc1c[nH]cn1 ZINC000179317110 386638114 /nfs/dbraw/zinc/63/81/14/386638114.db2.gz OFAFTUDUWOVXTL-UHFFFAOYSA-N 0 1 229.327 2.474 20 0 BEADMN CC(C)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000279156451 386639133 /nfs/dbraw/zinc/63/91/33/386639133.db2.gz FSXXGNAFDSKGCM-UHFFFAOYSA-N 0 1 248.261 2.205 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)[nH]1 ZINC000292297235 386648101 /nfs/dbraw/zinc/64/81/01/386648101.db2.gz ISOCHWNOZDDQRV-LBPRGKRZSA-N 0 1 247.342 2.369 20 0 BEADMN CC(C)[C@@H]1CN([C@@H](C)c2cnccn2)CCCO1 ZINC000339810297 386654103 /nfs/dbraw/zinc/65/41/03/386654103.db2.gz BFSSRGMTTXCGIP-JSGCOSHPSA-N 0 1 249.358 2.285 20 0 BEADMN COC[C@H](N[C@H](C)c1ccco1)[C@@H]1CCCO1 ZINC000278892059 386603654 /nfs/dbraw/zinc/60/36/54/386603654.db2.gz UCJOFDRPAMJIFV-MDZLAQPJSA-N 0 1 239.315 2.124 20 0 BEADMN CC(=O)[C@H](C)CSc1nc(C(C)(C)C)n[nH]1 ZINC000267970061 386603662 /nfs/dbraw/zinc/60/36/62/386603662.db2.gz BDYSNFGSLVCBDI-SSDOTTSWSA-N 0 1 241.360 2.419 20 0 BEADMN CC(=O)[C@H](C)CSc1n[nH]c(C(C)(C)C)n1 ZINC000267970061 386603666 /nfs/dbraw/zinc/60/36/66/386603666.db2.gz BDYSNFGSLVCBDI-SSDOTTSWSA-N 0 1 241.360 2.419 20 0 BEADMN Cc1sccc1CN[C@H](C)C(=O)NC(C)C ZINC000336645366 386609326 /nfs/dbraw/zinc/60/93/26/386609326.db2.gz CZFAJKFCOGAZPZ-SECBINFHSA-N 0 1 240.372 2.059 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2nc(C)cs2)C1 ZINC000279246162 386655154 /nfs/dbraw/zinc/65/51/54/386655154.db2.gz GPOCBEJNUYKWLF-LBPRGKRZSA-N 0 1 240.372 2.452 20 0 BEADMN CO[C@H](CN1CCCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000644926564 386618151 /nfs/dbraw/zinc/61/81/51/386618151.db2.gz VKRWMHFFUXQJLS-QWHCGFSZSA-N 0 1 249.358 2.362 20 0 BEADMN COc1cc(C)nc(CN(C)CCSC)c1 ZINC000339825761 386674079 /nfs/dbraw/zinc/67/40/79/386674079.db2.gz XZGMXXMZPWVGKJ-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN Cc1nc([C@](C)(NCC2CCC2)C2CC2)no1 ZINC000645024320 386676566 /nfs/dbraw/zinc/67/65/66/386676566.db2.gz USAOTQKKQKEOQT-CYBMUJFWSA-N 0 1 235.331 2.393 20 0 BEADMN C[C@@H](NCc1ncc(C2CC2)o1)[C@H]1CCOC1 ZINC000337229236 386679029 /nfs/dbraw/zinc/67/90/29/386679029.db2.gz UUYKJLVOTXEAOP-KOLCDFICSA-N 0 1 236.315 2.067 20 0 BEADMN CC[C@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000292520116 386682766 /nfs/dbraw/zinc/68/27/66/386682766.db2.gz WFCSJALEYCDLLO-GWCFXTLKSA-N 0 1 241.281 2.483 20 0 BEADMN CC1=C[C@H](C)C[N@H+](Cc2ncccc2[O-])C1 ZINC000520460057 386681381 /nfs/dbraw/zinc/68/13/81/386681381.db2.gz VLAKWYYUYZWJFI-JTQLQIEISA-N 0 1 218.300 2.185 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2ncccc2[O-])C1 ZINC000520460057 386681388 /nfs/dbraw/zinc/68/13/88/386681388.db2.gz VLAKWYYUYZWJFI-JTQLQIEISA-N 0 1 218.300 2.185 20 0 BEADMN CC[C@H]1CCC[C@H](CNCC(F)(F)CN)C1 ZINC000414927438 386681501 /nfs/dbraw/zinc/68/15/01/386681501.db2.gz LCMCJNCCFKZXFX-QWRGUYRKSA-N 0 1 234.334 2.386 20 0 BEADMN CC(C)(C)OC(=O)[C@H]1CCCN1CC1CC1 ZINC000148928926 386682105 /nfs/dbraw/zinc/68/21/05/386682105.db2.gz NJKTUZFWCSOHJX-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@@H](O)CC[N@H+]1Cc2ccccc2[C@H]1C ZINC000335520943 386658543 /nfs/dbraw/zinc/65/85/43/386658543.db2.gz LKNKHRVEOCWVLW-GHMZBOCLSA-N 0 1 205.301 2.334 20 0 BEADMN CC(=O)CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000292524170 386686699 /nfs/dbraw/zinc/68/66/99/386686699.db2.gz WMFXZXPZALIALC-LBPRGKRZSA-N 0 1 233.311 2.249 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H]2C[C@H](C)O)o1 ZINC000357012123 386687792 /nfs/dbraw/zinc/68/77/92/386687792.db2.gz VYGMEMRORAONGR-DLOVCJGASA-N 0 1 238.331 2.279 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=Cc1ccccc1 ZINC001645308498 1172652624 /nfs/dbraw/zinc/65/26/24/1172652624.db2.gz ASJXSKUYGPJBBK-BQYQJAHWSA-N 0 1 241.294 2.082 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H]2C[C@@H](C)O)o1 ZINC000357012125 386689700 /nfs/dbraw/zinc/68/97/00/386689700.db2.gz VYGMEMRORAONGR-USWWRNFRSA-N 0 1 238.331 2.279 20 0 BEADMN Clc1cccc(COCCc2c[nH]nn2)c1 ZINC000357016963 386689783 /nfs/dbraw/zinc/68/97/83/386689783.db2.gz HJKBJZCDIWFSIN-UHFFFAOYSA-N 0 1 237.690 2.217 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000526931097 386693120 /nfs/dbraw/zinc/69/31/20/386693120.db2.gz ZCHDYNWCTLVHDQ-DTORHVGOSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC3CCC2CC3)n[nH]1 ZINC000645439087 386695980 /nfs/dbraw/zinc/69/59/80/386695980.db2.gz STXJUZSZKLJDKH-GCZXYKMCSA-N 0 1 247.342 2.161 20 0 BEADMN CSCC[C@H](C)N(C)Cc1cc(C)nn1C ZINC000417769784 386696062 /nfs/dbraw/zinc/69/60/62/386696062.db2.gz BEZOEGZPKCUTKL-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357030928 386696265 /nfs/dbraw/zinc/69/62/65/386696265.db2.gz YHIUNSNITVKIGN-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357030928 386696272 /nfs/dbraw/zinc/69/62/72/386696272.db2.gz YHIUNSNITVKIGN-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncn(C)n1)C1CCCCC1 ZINC000391913999 386697448 /nfs/dbraw/zinc/69/74/48/386697448.db2.gz BWQFHPKGKCJRCM-MNOVXSKESA-N 0 1 236.363 2.435 20 0 BEADMN NC1(c2noc([C@@H]3C[C@H]3C3CCC3)n2)CCC1 ZINC000520590252 386697901 /nfs/dbraw/zinc/69/79/01/386697901.db2.gz WWLLIZKPQPMAKL-VHSXEESVSA-N 0 1 233.315 2.311 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ncn(C)n1 ZINC000391942624 386699732 /nfs/dbraw/zinc/69/97/32/386699732.db2.gz SHQGICKKWZWZAR-KKOKHZNYSA-N 0 1 236.363 2.290 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC[C@H](F)C1 ZINC000335477697 386703273 /nfs/dbraw/zinc/70/32/73/386703273.db2.gz XVCJRVLXJYRSJJ-QMMMGPOBSA-N 0 1 243.665 2.230 20 0 BEADMN CC[C@H](F)CN[C@H](C)c1cnn(C)c1C ZINC000336760238 386707134 /nfs/dbraw/zinc/70/71/34/386707134.db2.gz LPTZDTSYGGJALI-SCZZXKLOSA-N 0 1 213.300 2.127 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268861420 386707164 /nfs/dbraw/zinc/70/71/64/386707164.db2.gz JQOUDNUGGYGWMX-VXGBXAGGSA-N 0 1 247.342 2.156 20 0 BEADMN CC(C)(C(=O)NCc1cnc[nH]1)C1CCCC1 ZINC000330480015 386730606 /nfs/dbraw/zinc/73/06/06/386730606.db2.gz ZWPZKAFABJHUMV-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN CCN(C)Cc1ccnn1-c1ccccc1 ZINC000279777827 386735901 /nfs/dbraw/zinc/73/59/01/386735901.db2.gz GZFCXXKWTATYLV-UHFFFAOYSA-N 0 1 215.300 2.324 20 0 BEADMN Cc1ccoc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269026852 386738980 /nfs/dbraw/zinc/73/89/80/386738980.db2.gz VXPUIYSDSSRLHL-SNVBAGLBSA-N 0 1 245.282 2.119 20 0 BEADMN FC(F)C1CCN(CC2(F)CC2)CC1 ZINC000526970454 386713784 /nfs/dbraw/zinc/71/37/84/386713784.db2.gz PZOJUZFYEZBKSE-UHFFFAOYSA-N 0 1 207.239 2.466 20 0 BEADMN Cc1c(CN2CCC[C@H]2c2ccc[nH]2)cnn1C ZINC000268915697 386720057 /nfs/dbraw/zinc/72/00/57/386720057.db2.gz PYGUAGFJEIBPOO-AWEZNQCLSA-N 0 1 244.342 2.394 20 0 BEADMN O=C(CCC1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268916120 386720178 /nfs/dbraw/zinc/72/01/78/386720178.db2.gz BUAXKKIKUBRHDI-GFCCVEGCSA-N 0 1 247.342 2.484 20 0 BEADMN CC/C=C(\C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268917246 386720407 /nfs/dbraw/zinc/72/04/07/386720407.db2.gz BZPCOFSBBXTYDP-FZPLPXEFSA-N 0 1 233.315 2.260 20 0 BEADMN Cc1noc(CN2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000334142168 386740154 /nfs/dbraw/zinc/74/01/54/386740154.db2.gz MZTGCCHBFFEKIQ-GXFFZTMASA-N 0 1 235.331 2.390 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000279691367 386721255 /nfs/dbraw/zinc/72/12/55/386721255.db2.gz HYWZDUNHRXDPAM-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN CCC[C@](C)(CC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000279713378 386722822 /nfs/dbraw/zinc/72/28/22/386722822.db2.gz APRXSFRXPWWCIZ-SKDRFNHKSA-N 0 1 238.335 2.198 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCc2ccncc2)CCO1 ZINC000279712564 386725380 /nfs/dbraw/zinc/72/53/80/386725380.db2.gz ICMAJVPHOSXMCX-AWEZNQCLSA-N 0 1 248.370 2.371 20 0 BEADMN O=C(C=C1CCCCC1)NCC[N@@H+]1CC=CCC1 ZINC000279757343 386730107 /nfs/dbraw/zinc/73/01/07/386730107.db2.gz AAINZIFILIDAEF-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN O=C(C=C1CCCCC1)NCCN1CC=CCC1 ZINC000279757343 386730113 /nfs/dbraw/zinc/73/01/13/386730113.db2.gz AAINZIFILIDAEF-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000334155945 386755307 /nfs/dbraw/zinc/75/53/07/386755307.db2.gz WZQYYVHFVHHKNJ-GXSJLCMTSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)[C@H]1C ZINC000248367187 386755507 /nfs/dbraw/zinc/75/55/07/386755507.db2.gz TUEPNWIVLVNVKK-MNOVXSKESA-N 0 1 232.327 2.016 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)[C@H]1C ZINC000248366621 386756918 /nfs/dbraw/zinc/75/69/18/386756918.db2.gz SJGBNBBZEHOSPL-OLZOCXBDSA-N 0 1 246.354 2.033 20 0 BEADMN CC(C)[C@@H]1OCCC[C@@H]1CNCc1cocn1 ZINC000192323025 386765742 /nfs/dbraw/zinc/76/57/42/386765742.db2.gz HNXMMFQXPVMUEH-YPMHNXCESA-N 0 1 238.331 2.215 20 0 BEADMN Cc1ccoc1CN(C)Cc1[nH]ncc1C ZINC000292887052 386741661 /nfs/dbraw/zinc/74/16/61/386741661.db2.gz YKZMIHXWBYHLSC-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN CC[C@H]1CCCCN1Cc1nccn1C ZINC000248085563 386743217 /nfs/dbraw/zinc/74/32/17/386743217.db2.gz BDOJZGVAPFNQFQ-NSHDSACASA-N 0 1 207.321 2.185 20 0 BEADMN COCc1cccc(CSc2cn[nH]n2)c1 ZINC000269446706 386794945 /nfs/dbraw/zinc/79/49/45/386794945.db2.gz AZLAUSRGGCCGRP-UHFFFAOYSA-N 0 1 235.312 2.243 20 0 BEADMN CO[C@H](CNCc1c(F)cccc1F)C1CC1 ZINC000293220197 386770460 /nfs/dbraw/zinc/77/04/60/386770460.db2.gz YSQJDEBJOKRVBZ-CYBMUJFWSA-N 0 1 241.281 2.479 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000357380523 386773566 /nfs/dbraw/zinc/77/35/66/386773566.db2.gz YQMSTXYTEIUBOM-LLVKDONJSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1cc(CNCC(C)(C)OCC2CC2)no1 ZINC000414504486 386774532 /nfs/dbraw/zinc/77/45/32/386774532.db2.gz OOGIKDWFEPLTPS-UHFFFAOYSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C1CC(C)(C)C1 ZINC000352864331 386777397 /nfs/dbraw/zinc/77/73/97/386777397.db2.gz CWFZXSBTRPBVNS-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC(C2CCC2)C1 ZINC000334638268 386778275 /nfs/dbraw/zinc/77/82/75/386778275.db2.gz QIOYGHQEGXZGIG-UHFFFAOYSA-N 0 1 249.285 2.403 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1F ZINC000269326927 386780094 /nfs/dbraw/zinc/78/00/94/386780094.db2.gz AEZGIGSGKWSORX-ZDUSSCGKSA-N 0 1 237.318 2.338 20 0 BEADMN COc1ncncc1CN1CCC[C@H](C)CC1 ZINC000648004455 386816378 /nfs/dbraw/zinc/81/63/78/386816378.db2.gz IZXCBIDTOFIYDK-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN FC1CCC(CNCc2csnn2)CC1 ZINC000648073564 386818787 /nfs/dbraw/zinc/81/87/87/386818787.db2.gz PPIHYXBHWIQSNM-UHFFFAOYSA-N 0 1 229.324 2.156 20 0 BEADMN CCN(CCO)Cc1ccc(Cl)cc1OC ZINC000280503536 386819805 /nfs/dbraw/zinc/81/98/05/386819805.db2.gz PVXSJLOUJMYGBG-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CO[C@@H]1CCC[C@H]1CN=c1[nH]c2ccccc2[nH]1 ZINC000340951370 386804666 /nfs/dbraw/zinc/80/46/66/386804666.db2.gz OCOGSLOVBIBBOT-GXFFZTMASA-N 0 1 245.326 2.212 20 0 BEADMN CO[C@H]1CCC[C@H]1CN=c1[nH]c2ccccc2[nH]1 ZINC000340951359 386806201 /nfs/dbraw/zinc/80/62/01/386806201.db2.gz OCOGSLOVBIBBOT-GWCFXTLKSA-N 0 1 245.326 2.212 20 0 BEADMN C[C@@H](CO)N(Cc1cscn1)CC1CCC1 ZINC000280375504 386806923 /nfs/dbraw/zinc/80/69/23/386806923.db2.gz KTRFNJAKTWHNQC-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN Cc1nocc1CN[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000293382670 386808801 /nfs/dbraw/zinc/80/88/01/386808801.db2.gz WFKBPNVHDYIZSO-VIFPVBQESA-N 0 1 249.318 2.075 20 0 BEADMN COc1ncncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000648003994 386813727 /nfs/dbraw/zinc/81/37/27/386813727.db2.gz KYIAXDSTQZSKKQ-AAEUAGOBSA-N 0 1 247.342 2.250 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCCCCO1 ZINC000329942471 386815599 /nfs/dbraw/zinc/81/55/99/386815599.db2.gz VORPEODPMKLZQI-UHFFFAOYSA-N 0 1 245.282 2.121 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1c(F)cccc1F ZINC000293436804 386815985 /nfs/dbraw/zinc/81/59/85/386815985.db2.gz OFPKOGYKRLJPEW-UHFFFAOYSA-N 0 1 237.253 2.320 20 0 BEADMN COC(=O)c1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000293488490 386825553 /nfs/dbraw/zinc/82/55/53/386825553.db2.gz SOPZVDAXMRXTKW-MNOVXSKESA-N 0 1 233.311 2.313 20 0 BEADMN Cc1ccc(CSc2cn[nH]n2)c(C)n1 ZINC000330104955 386829332 /nfs/dbraw/zinc/82/93/32/386829332.db2.gz JHOVHBHVVSTNFW-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN FCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000280607042 386829873 /nfs/dbraw/zinc/82/98/73/386829873.db2.gz DAUFWGLKFRBBCR-UHFFFAOYSA-N 0 1 245.681 2.170 20 0 BEADMN CCC1(C)CN(Cc2cnc3n[nH]c(C)c3c2)C1 ZINC000334790398 386853192 /nfs/dbraw/zinc/85/31/92/386853192.db2.gz ULSXWTYPYADOEY-UHFFFAOYSA-N 0 1 244.342 2.498 20 0 BEADMN COC[C@H]1CCN1Cc1cccc(F)c1 ZINC000293536638 386831342 /nfs/dbraw/zinc/83/13/42/386831342.db2.gz JWHBZIIVHRHCIE-GFCCVEGCSA-N 0 1 209.264 2.046 20 0 BEADMN C[C@@H](CO)N(Cc1nccs1)CC1CCC1 ZINC000280644606 386832968 /nfs/dbraw/zinc/83/29/68/386832968.db2.gz YNVGGWFCCKHBIX-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)c1nc(CS[C@H]2CCO[C@H]2C)n[nH]1 ZINC000330195372 386835102 /nfs/dbraw/zinc/83/51/02/386835102.db2.gz PCTZMBNJMIUAHF-IUCAKERBSA-N 0 1 241.360 2.339 20 0 BEADMN CN(CCC(C)(C)C)c1ncnc2[nH]cnc21 ZINC000645342054 386838538 /nfs/dbraw/zinc/83/85/38/386838538.db2.gz KHBFQXHQGJVCEB-UHFFFAOYSA-N 0 1 233.319 2.225 20 0 BEADMN COC[C@H]1CC[N@H+]1C/C=C/c1ccccc1OC ZINC000293562465 386839011 /nfs/dbraw/zinc/83/90/11/386839011.db2.gz GDAWNKWHHZXPRV-HZRUHFOJSA-N 0 1 247.338 2.429 20 0 BEADMN COC[C@H]1CCN1C/C=C/c1ccccc1OC ZINC000293562465 386839018 /nfs/dbraw/zinc/83/90/18/386839018.db2.gz GDAWNKWHHZXPRV-HZRUHFOJSA-N 0 1 247.338 2.429 20 0 BEADMN COC[C@H](N[C@@H]1CC[C@@H]1SC)c1ccco1 ZINC000425340822 386842404 /nfs/dbraw/zinc/84/24/04/386842404.db2.gz FKNCSBQHLFCBAC-SCVCMEIPSA-N 0 1 241.356 2.451 20 0 BEADMN COC[C@H](N[C@@H]1CC[C@H]1SC)c1ccco1 ZINC000425340820 386843266 /nfs/dbraw/zinc/84/32/66/386843266.db2.gz FKNCSBQHLFCBAC-JFGNBEQYSA-N 0 1 241.356 2.451 20 0 BEADMN Cc1occc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000334785773 386844540 /nfs/dbraw/zinc/84/45/40/386844540.db2.gz PPTYOYPIVBMTBJ-NSHDSACASA-N 0 1 245.282 2.119 20 0 BEADMN CC[C@@H](C)CONC(=O)c1ccc(F)cc1O ZINC000293611091 386849698 /nfs/dbraw/zinc/84/96/98/386849698.db2.gz DBRSHCOVSJLJGH-MRVPVSSYSA-N 0 1 241.262 2.239 20 0 BEADMN CC[C@H]1[C@H](CO)CCN1Cc1csc(C)n1 ZINC000395084919 386850382 /nfs/dbraw/zinc/85/03/82/386850382.db2.gz CBYBADHUKPNNQZ-JQWIXIFHSA-N 0 1 240.372 2.044 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1ccon1 ZINC000425336718 386851093 /nfs/dbraw/zinc/85/10/93/386851093.db2.gz LQILLDQJGGGXKS-UJNFCWOMSA-N 0 1 212.318 2.219 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC000331437874 386852638 /nfs/dbraw/zinc/85/26/38/386852638.db2.gz SAPIUAASZHDNMZ-SNVBAGLBSA-N 0 1 235.331 2.063 20 0 BEADMN CC(C)(C)[C@H](O)CSc1nc(C2CC2)n[nH]1 ZINC000331751026 386891737 /nfs/dbraw/zinc/89/17/37/386891737.db2.gz GNGYIYGCCYABEE-MRVPVSSYSA-N 0 1 241.360 2.181 20 0 BEADMN CC(C)(C)[C@H](O)CSc1n[nH]c(C2CC2)n1 ZINC000331751026 386891741 /nfs/dbraw/zinc/89/17/41/386891741.db2.gz GNGYIYGCCYABEE-MRVPVSSYSA-N 0 1 241.360 2.181 20 0 BEADMN CCC1(CC)[C@H](NCc2ncccn2)C[C@H]1OC ZINC000191381465 386892661 /nfs/dbraw/zinc/89/26/61/386892661.db2.gz WLDNOHDEKSMUDC-VXGBXAGGSA-N 0 1 249.358 2.160 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(C2CC2)n1 ZINC000293874877 386893884 /nfs/dbraw/zinc/89/38/84/386893884.db2.gz JGLJYDYGHNFMJN-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN COC[C@@H]1CCN1CCc1ccccc1F ZINC000293656833 386855024 /nfs/dbraw/zinc/85/50/24/386855024.db2.gz SVHOYCQNZXWXKI-LBPRGKRZSA-N 0 1 223.291 2.089 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)n[nH]1 ZINC000293663344 386857327 /nfs/dbraw/zinc/85/73/27/386857327.db2.gz MWUFCYRHMNIQFF-LBPRGKRZSA-N 0 1 247.342 2.369 20 0 BEADMN C[C@@]1(F)CCN(CCc2ccncc2)C1 ZINC000335741502 386858251 /nfs/dbraw/zinc/85/82/51/386858251.db2.gz QESOIFHPHBDSHA-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN Cc1n[nH]cc1CN1CC2(C1)CCCCC2 ZINC000334793258 386859599 /nfs/dbraw/zinc/85/95/99/386859599.db2.gz XBIOCNHKSNBDSO-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN Cc1[nH]ncc1CNc1cnn(CC(C)C)c1C ZINC000341263725 386871029 /nfs/dbraw/zinc/87/10/29/386871029.db2.gz PTIIBVCCLCCUBN-UHFFFAOYSA-N 0 1 247.346 2.491 20 0 BEADMN Cc1nocc1CN(C)CCc1ccccn1 ZINC000293752948 386872526 /nfs/dbraw/zinc/87/25/26/386872526.db2.gz YFIVTMKONIFUKR-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN NC1(c2noc([C@@H]3CC=CCC3)n2)CCC1 ZINC000334835899 386877289 /nfs/dbraw/zinc/87/72/89/386877289.db2.gz CCCLIHFJFUHHEJ-SECBINFHSA-N 0 1 219.288 2.231 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H](F)C2)c1 ZINC000334838134 386880637 /nfs/dbraw/zinc/88/06/37/386880637.db2.gz FQZMIUXMITTXCB-SNVBAGLBSA-N 0 1 247.273 2.055 20 0 BEADMN C[C@@]1(O)CCN(c2ccnc3cc(F)ccc32)C1 ZINC000301883517 386886857 /nfs/dbraw/zinc/88/68/57/386886857.db2.gz NJEMVDXQQQWQHP-CQSZACIVSA-N 0 1 246.285 2.335 20 0 BEADMN Cc1ccc(CN2CCSC(C)(C)C2)nn1 ZINC000334842866 386889011 /nfs/dbraw/zinc/88/90/11/386889011.db2.gz YAHIZWJSDFBXQU-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1n[nH]c(C(=O)NCCC(C)(C)C)c1C ZINC000330792942 386890715 /nfs/dbraw/zinc/89/07/15/386890715.db2.gz CAYHOISHLNTDHS-UHFFFAOYSA-N 0 1 223.320 2.193 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H]1C[C@@H]1C ZINC000331854583 386916608 /nfs/dbraw/zinc/91/66/08/386916608.db2.gz HWURBYWTGBMYAL-WCBMZHEXSA-N 0 1 235.331 2.227 20 0 BEADMN NC1(c2noc(C3CC=CC3)n2)CCCC1 ZINC000334862406 386916976 /nfs/dbraw/zinc/91/69/76/386916976.db2.gz LIIXKSOIVKIBDR-UHFFFAOYSA-N 0 1 219.288 2.231 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1cn(C)nn1 ZINC000341571851 386918654 /nfs/dbraw/zinc/91/86/54/386918654.db2.gz ZPZCDIBWVCWDNE-ZDUSSCGKSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc(C3(N)CCC3)no2)C1 ZINC000334851980 386902189 /nfs/dbraw/zinc/90/21/89/386902189.db2.gz DOVBXVSROWKGCO-RKDXNWHRSA-N 0 1 221.304 2.311 20 0 BEADMN Cc1sccc1Cc1nc(C2(N)CCC2)no1 ZINC000334852111 386903170 /nfs/dbraw/zinc/90/31/70/386903170.db2.gz HJUIKRSTTBTVMB-UHFFFAOYSA-N 0 1 249.339 2.368 20 0 BEADMN C[C@H]1CN(CC2CCCCC2)CC[S@@]1=O ZINC000335764291 386904913 /nfs/dbraw/zinc/90/49/13/386904913.db2.gz ALWIUIBZPOWDCX-NHYWBVRUSA-N 0 1 229.389 2.020 20 0 BEADMN CC(C)(c1nc(C2(N)CCCC2)no1)C1CC1 ZINC000334854131 386905328 /nfs/dbraw/zinc/90/53/28/386905328.db2.gz DWIMSFNVSKZYKP-UHFFFAOYSA-N 0 1 235.331 2.485 20 0 BEADMN Cc1ccc(CN2CCSC[C@@H]2C2CC2)nn1 ZINC000334855369 386907151 /nfs/dbraw/zinc/90/71/51/386907151.db2.gz WMJPHXUDPNCTNH-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN CNC(C)(C)c1nc(-c2ccccc2F)no1 ZINC000061151490 1172657684 /nfs/dbraw/zinc/65/76/84/1172657684.db2.gz DPRKPDUFYFYYMA-UHFFFAOYSA-N 0 1 235.262 2.330 20 0 BEADMN FC[C@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000334861022 386912884 /nfs/dbraw/zinc/91/28/84/386912884.db2.gz ALHARXANTYVWKY-LBPRGKRZSA-N 0 1 248.301 2.338 20 0 BEADMN Clc1cncnc1N1CCc2cnccc21 ZINC000302597488 386927193 /nfs/dbraw/zinc/92/71/93/386927193.db2.gz BNGWDFONMRCLAR-UHFFFAOYSA-N 0 1 232.674 2.219 20 0 BEADMN Cc1occc1C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000334868880 386928759 /nfs/dbraw/zinc/92/87/59/386928759.db2.gz STPTTZQAYUOLEG-GHMZBOCLSA-N 0 1 222.332 2.112 20 0 BEADMN CCCCNC(=O)CCN(C)Cc1ccco1 ZINC000116270123 386931245 /nfs/dbraw/zinc/93/12/45/386931245.db2.gz FLKSRDJDJQWBCA-UHFFFAOYSA-N 0 1 238.331 2.018 20 0 BEADMN CC[C@H](NC[C@H](OC)C(C)C)c1nccn1C ZINC000341712388 386955496 /nfs/dbraw/zinc/95/54/96/386955496.db2.gz WZJZGTZBTAHWJP-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@H]1C1CC1 ZINC000334887982 386960812 /nfs/dbraw/zinc/96/08/12/386960812.db2.gz MOHDLNSJMXUFDK-JTQLQIEISA-N 0 1 235.258 2.156 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NCc1cn[nH]c1C ZINC000341794812 386963474 /nfs/dbraw/zinc/96/34/74/386963474.db2.gz BZQVAZPAHWNSQP-VIFPVBQESA-N 0 1 237.347 2.407 20 0 BEADMN c1nc(CN2CCC(C3CC3)CC2)c[nH]1 ZINC000368336935 386963694 /nfs/dbraw/zinc/96/36/94/386963694.db2.gz RLHTUWJWMTZHRP-UHFFFAOYSA-N 0 1 205.305 2.032 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(CC(C)C)CC1 ZINC000358491321 386964231 /nfs/dbraw/zinc/96/42/31/386964231.db2.gz DUYTUQPEVLVEPX-CYBMUJFWSA-N 0 1 240.391 2.223 20 0 BEADMN CCCCCC(=O)N1CCN(CC)C[C@H]1C ZINC000341817315 386967476 /nfs/dbraw/zinc/96/74/76/386967476.db2.gz AYZDGTNHULLRCT-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CC[C@@H](CN1CCNC(=O)[C@@H]1C)c1ccccc1 ZINC000352956275 386974030 /nfs/dbraw/zinc/97/40/30/386974030.db2.gz KUGIYTVQGZRUIN-STQMWFEESA-N 0 1 246.354 2.001 20 0 BEADMN Oc1cccc2c1C[C@@H](NCc1nccs1)C2 ZINC000334901048 386974313 /nfs/dbraw/zinc/97/43/13/386974313.db2.gz XNKXESXYFYDQBN-JTQLQIEISA-N 0 1 246.335 2.106 20 0 BEADMN Cc1nc(CN2CCCc3cc(F)ccc32)n[nH]1 ZINC000334899946 386975198 /nfs/dbraw/zinc/97/51/98/386975198.db2.gz CTMIFJZLXORJJE-UHFFFAOYSA-N 0 1 246.289 2.205 20 0 BEADMN CC(C)(C)c1noc(C23CCCN2CCC3)n1 ZINC000334903397 386976932 /nfs/dbraw/zinc/97/69/32/386976932.db2.gz IGWYBTCCRNIUFA-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ncc[nH]1 ZINC000331161774 386980666 /nfs/dbraw/zinc/98/06/66/386980666.db2.gz MCGLBKCLMHNORU-WCBMZHEXSA-N 0 1 248.330 2.469 20 0 BEADMN Cc1oncc1CN1CC[C@H](COC(F)F)C1 ZINC000353029231 386982837 /nfs/dbraw/zinc/98/28/37/386982837.db2.gz PVLGSDXIQCDXEM-VIFPVBQESA-N 0 1 246.257 2.044 20 0 BEADMN Cc1csc(NC(=O)c2ncc(C)cc2O)n1 ZINC000358612402 386986723 /nfs/dbraw/zinc/98/67/23/386986723.db2.gz FDJXXNURAIEWPH-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334914238 386987529 /nfs/dbraw/zinc/98/75/29/386987529.db2.gz YRXAMQZIEZMPCI-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CC[C@]1(O)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000334914238 386987535 /nfs/dbraw/zinc/98/75/35/386987535.db2.gz YRXAMQZIEZMPCI-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1ccnc(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000334915015 386989090 /nfs/dbraw/zinc/98/90/90/386989090.db2.gz DCDNZOAIAZVYQB-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1cc(C(=O)N(C)C2(C)CCCC2)n[nH]1 ZINC000334915635 386990225 /nfs/dbraw/zinc/99/02/25/386990225.db2.gz UYCMINHLBYJFKX-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@@](C)(O)C2)cs1 ZINC000417396869 386991615 /nfs/dbraw/zinc/99/16/15/386991615.db2.gz GIPYRZPZBGUPQN-OVYXKVPISA-N 0 1 226.345 2.016 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC[C@H](C)C2)nc1 ZINC000334916586 386991659 /nfs/dbraw/zinc/99/16/59/386991659.db2.gz XHSCGIFNNAAOIV-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CC[C@H](C)C2)nc1 ZINC000334916581 386992550 /nfs/dbraw/zinc/99/25/50/386992550.db2.gz XHSCGIFNNAAOIV-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358707737 387000172 /nfs/dbraw/zinc/00/01/72/387000172.db2.gz MECARAHZHJHJTD-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358707739 387001397 /nfs/dbraw/zinc/00/13/97/387001397.db2.gz MECARAHZHJHJTD-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1noc(C[N@H+](C)C2CCC(F)(F)CC2)n1 ZINC000334820743 386950324 /nfs/dbraw/zinc/95/03/24/386950324.db2.gz QIDIKDCEWSDFIJ-UHFFFAOYSA-N 0 1 245.273 2.388 20 0 BEADMN Cc1noc(CN(C)C2CCC(F)(F)CC2)n1 ZINC000334820743 386950330 /nfs/dbraw/zinc/95/03/30/386950330.db2.gz QIDIKDCEWSDFIJ-UHFFFAOYSA-N 0 1 245.273 2.388 20 0 BEADMN COc1ncncc1CN(C)[C@H](C)C1(C)CC1 ZINC000648013385 386950332 /nfs/dbraw/zinc/95/03/32/386950332.db2.gz BQNDMADFBONTLI-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CCCCCN1CCN(CC(F)F)CC1 ZINC000117875481 387030185 /nfs/dbraw/zinc/03/01/85/387030185.db2.gz FJGWUCGGVIDAPP-UHFFFAOYSA-N 0 1 220.307 2.059 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC(C)CC2)cc1 ZINC000228075260 387066432 /nfs/dbraw/zinc/06/64/32/387066432.db2.gz UWKJRITVYRDBIL-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN CCc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000070076494 387043068 /nfs/dbraw/zinc/04/30/68/387043068.db2.gz GYPBFCGCYJGRGV-TXEJJXNPSA-N 0 1 246.354 2.071 20 0 BEADMN CC(C)c1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)on1 ZINC000648452077 387046355 /nfs/dbraw/zinc/04/63/55/387046355.db2.gz FBULLWJTMBHHGC-GBIKHYSHSA-N 0 1 238.331 2.454 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1ccc(F)cc1 ZINC000267516800 387049269 /nfs/dbraw/zinc/04/92/69/387049269.db2.gz MFEMPJFXHIJVLA-ZDUSSCGKSA-N 0 1 248.305 2.195 20 0 BEADMN Cn1c(=O)[nH]nc1SC[C@H]1CCCC1(F)F ZINC000334969738 387051998 /nfs/dbraw/zinc/05/19/98/387051998.db2.gz ZARUPWPURRKNKO-ZCFIWIBFSA-N 0 1 249.286 2.048 20 0 BEADMN F[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000336222825 387061169 /nfs/dbraw/zinc/06/11/69/387061169.db2.gz OIBQLGVLZGKHAC-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000352308635 387064426 /nfs/dbraw/zinc/06/44/26/387064426.db2.gz YNCAYNDFUWEGAE-SFYZADRCSA-N 0 1 246.270 2.049 20 0 BEADMN COc1cccnc1CN[C@@H]1CC[C@@H]1SC ZINC000425374880 387015323 /nfs/dbraw/zinc/01/53/23/387015323.db2.gz XYDKWTDSSSWVLY-SKDRFNHKSA-N 0 1 238.356 2.074 20 0 BEADMN C[C@@H](NCc1ncc(C(C)(C)C)o1)[C@H](C)CO ZINC000358832749 387020775 /nfs/dbraw/zinc/02/07/75/387020775.db2.gz WOPVWENDSHXTBE-NXEZZACHSA-N 0 1 240.347 2.079 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CCC(C)C ZINC000359230110 387070113 /nfs/dbraw/zinc/07/01/13/387070113.db2.gz PIXBBYCGQJSSJT-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CC(C)(C)C ZINC000359238796 387071758 /nfs/dbraw/zinc/07/17/58/387071758.db2.gz XELWKIQBGVTZRK-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](NCc1ccncc1)c1ccccn1 ZINC000020123263 387074099 /nfs/dbraw/zinc/07/40/99/387074099.db2.gz MJTCLXXQOGRSSQ-NSHDSACASA-N 0 1 213.284 2.327 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC000418120849 387074880 /nfs/dbraw/zinc/07/48/80/387074880.db2.gz WLIHUQAUWUSLIY-MNOVXSKESA-N 0 1 237.347 2.121 20 0 BEADMN COC(=O)CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186198099 387077008 /nfs/dbraw/zinc/07/70/08/387077008.db2.gz UGLCKTMANZCROD-UHFFFAOYSA-N 0 1 245.322 2.097 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@]1(C)CC=CCC1 ZINC000336240678 387078415 /nfs/dbraw/zinc/07/84/15/387078415.db2.gz ORUVSUAVGOHYLM-CYBMUJFWSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@H](C)O)oc1C ZINC000228144644 387078671 /nfs/dbraw/zinc/07/86/71/387078671.db2.gz WGDLRVJEUZNGFP-JOYOIKCWSA-N 0 1 238.331 2.027 20 0 BEADMN O=C([O-])c1coc(C[NH2+]Cc2ccccc2F)c1 ZINC000228155003 387079482 /nfs/dbraw/zinc/07/94/82/387079482.db2.gz BTGMSOYPNCFZCJ-UHFFFAOYSA-N 0 1 249.241 2.407 20 0 BEADMN CSCC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186233550 387083960 /nfs/dbraw/zinc/08/39/60/387083960.db2.gz ZNFDDUXOYBFBHD-UHFFFAOYSA-N 0 1 229.320 2.326 20 0 BEADMN CC(C)(O)CCN1CCOC[C@H]1c1ccccc1 ZINC000370168064 387095642 /nfs/dbraw/zinc/09/56/42/387095642.db2.gz ZIRCYZWCLGTUQQ-AWEZNQCLSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)=CCN1CCc2nc(C)ncc2C1 ZINC000336263469 387096623 /nfs/dbraw/zinc/09/66/23/387096623.db2.gz DAVVNOQNCMAWRU-UHFFFAOYSA-N 0 1 217.316 2.109 20 0 BEADMN CC[N@H+]1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000067704262 387098582 /nfs/dbraw/zinc/09/85/82/387098582.db2.gz ZVVJWWOKDPLSDE-ZDUSSCGKSA-N 0 1 238.375 2.310 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000067704262 387098586 /nfs/dbraw/zinc/09/85/86/387098586.db2.gz ZVVJWWOKDPLSDE-ZDUSSCGKSA-N 0 1 238.375 2.310 20 0 BEADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccon1 ZINC000186374033 387100381 /nfs/dbraw/zinc/10/03/81/387100381.db2.gz ODWHTHIBAXYRSZ-QWHCGFSZSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCC1 ZINC000333956217 387109433 /nfs/dbraw/zinc/10/94/33/387109433.db2.gz GVUXUQRDXRHDOF-BXKDBHETSA-N 0 1 247.342 2.340 20 0 BEADMN CCCN(C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000069092015 387111647 /nfs/dbraw/zinc/11/16/47/387111647.db2.gz ZMAVIPUEJZYQAT-SNVBAGLBSA-N 0 1 238.306 2.495 20 0 BEADMN COCCCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000228704921 387111832 /nfs/dbraw/zinc/11/18/32/387111832.db2.gz OZPFJRBUQMWKAX-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN O=C(c1cnc[nH]1)N(Cc1cccs1)C1CC1 ZINC000069816524 387117817 /nfs/dbraw/zinc/11/78/17/387117817.db2.gz DZURLKQTLZCXLR-UHFFFAOYSA-N 0 1 247.323 2.276 20 0 BEADMN C[C@@H]1N(CCc2cncs2)CCOC1(C)C ZINC000336282736 387118581 /nfs/dbraw/zinc/11/85/81/387118581.db2.gz CUMOAKYOTGMHEW-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN CNC(C)(C)c1nc(-c2ccccc2C)no1 ZINC000061151337 1172659322 /nfs/dbraw/zinc/65/93/22/1172659322.db2.gz ARZFPYLPMSGNKS-UHFFFAOYSA-N 0 1 231.299 2.500 20 0 BEADMN Cc1oncc1CN1CCSC[C@H]1C1CC1 ZINC000336291518 387122705 /nfs/dbraw/zinc/12/27/05/387122705.db2.gz GMANUOUDHAYMCG-LBPRGKRZSA-N 0 1 238.356 2.310 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)[C@H]1CC1(C)C ZINC000571691955 387144708 /nfs/dbraw/zinc/14/47/08/387144708.db2.gz VNCSWJQPQQQHLY-JTQLQIEISA-N 0 1 223.272 2.208 20 0 BEADMN CC(C)[N@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000120038433 387149491 /nfs/dbraw/zinc/14/94/91/387149491.db2.gz WPFCPABPVDKELA-CQSZACIVSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000571699829 387150184 /nfs/dbraw/zinc/15/01/84/387150184.db2.gz LEHJFKGPAAKXAC-DMDPSCGWSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cn1 ZINC000418125395 387151200 /nfs/dbraw/zinc/15/12/00/387151200.db2.gz JFJJQJBWGSQVKS-ZMLRMANQSA-N 0 1 219.332 2.261 20 0 BEADMN COC(=O)CN(C)C1CCC(C(C)C)CC1 ZINC000353195686 387153498 /nfs/dbraw/zinc/15/34/98/387153498.db2.gz RKZOMUUULOVGPH-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000336327157 387153853 /nfs/dbraw/zinc/15/38/53/387153853.db2.gz KYMSVGHYZKNGNQ-ZDUSSCGKSA-N 0 1 247.273 2.137 20 0 BEADMN CCc1cc(C(=O)N2CC[C@](C)(CC)C2)n[nH]1 ZINC000336326924 387154135 /nfs/dbraw/zinc/15/41/35/387154135.db2.gz NDCLOVWBEJXHLN-ZDUSSCGKSA-N 0 1 235.331 2.234 20 0 BEADMN CC[C@@H](C)CNCc1nn(C)cc1Cl ZINC000393307234 387155056 /nfs/dbraw/zinc/15/50/56/387155056.db2.gz ZPVVGOCUVFMJTB-MRVPVSSYSA-N 0 1 215.728 2.209 20 0 BEADMN CC[C@H](F)CN1CC[C@H](n2cc(C)cn2)C1 ZINC000352415998 387171749 /nfs/dbraw/zinc/17/17/49/387171749.db2.gz QQVWEXBACIPXLR-RYUDHWBXSA-N 0 1 225.311 2.186 20 0 BEADMN FC(F)C[C@@H]1COCCN1CCC1CC1 ZINC000353286603 387172591 /nfs/dbraw/zinc/17/25/91/387172591.db2.gz MBNCOCQWULDOIM-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@H]2C)nc1 ZINC000336345164 387173200 /nfs/dbraw/zinc/17/32/00/387173200.db2.gz VNOWBUMGNCKFHY-WDEREUQCSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1cc(CC(=O)NCCCC(C)(C)C)[nH]n1 ZINC000120112611 387173500 /nfs/dbraw/zinc/17/35/00/387173500.db2.gz ZEZBPBITTAKFHI-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@H]2C)nc1 ZINC000336345161 387174560 /nfs/dbraw/zinc/17/45/60/387174560.db2.gz VNOWBUMGNCKFHY-GHMZBOCLSA-N 0 1 205.305 2.015 20 0 BEADMN CCC[C@@H](NCC(F)(F)CN)C(C)(C)C ZINC000423336388 387183995 /nfs/dbraw/zinc/18/39/95/387183995.db2.gz GVHLLBIPEWECBA-SECBINFHSA-N 0 1 222.323 2.385 20 0 BEADMN CC(C)(C)C(C)(C)CNc1ccncc1C(N)=O ZINC000571858936 387185691 /nfs/dbraw/zinc/18/56/91/387185691.db2.gz TWNXBLKHBIOBBY-UHFFFAOYSA-N 0 1 249.358 2.087 20 0 BEADMN Fc1ccc(NCc2n[nH]c(C3CC3)n2)cc1 ZINC000187398723 387194055 /nfs/dbraw/zinc/19/40/55/387194055.db2.gz HSHHZCYUKVSEDA-UHFFFAOYSA-N 0 1 232.262 2.433 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000187371325 387191708 /nfs/dbraw/zinc/19/17/08/387191708.db2.gz IHQDLHSFOHZNOH-UWVGGRQHSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000187371325 387191711 /nfs/dbraw/zinc/19/17/11/387191711.db2.gz IHQDLHSFOHZNOH-UWVGGRQHSA-N 0 1 248.330 2.303 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cnc[nH]1 ZINC000336310541 387137983 /nfs/dbraw/zinc/13/79/83/387137983.db2.gz AXRZLYSWPKVWBW-VXNVDRBHSA-N 0 1 233.237 2.182 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cnc[nH]1 ZINC000336310538 387138723 /nfs/dbraw/zinc/13/87/23/387138723.db2.gz AXRZLYSWPKVWBW-APPZFPTMSA-N 0 1 233.237 2.182 20 0 BEADMN C[C@H](NCc1cccc(F)c1)c1ccc(=O)[nH]n1 ZINC000353436577 387202333 /nfs/dbraw/zinc/20/23/33/387202333.db2.gz PHTFBLDIVIDPDD-VIFPVBQESA-N 0 1 247.273 2.172 20 0 BEADMN Cc1cc(CN2CC3CCC2CC3)no1 ZINC000371392422 387204427 /nfs/dbraw/zinc/20/44/27/387204427.db2.gz JCOQCEZLQFDTKJ-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN [O-]c1cccnc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000571970481 387211777 /nfs/dbraw/zinc/21/17/77/387211777.db2.gz FRLQEVSELDLBIE-TXEJJXNPSA-N 0 1 232.327 2.409 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000571970481 387211785 /nfs/dbraw/zinc/21/17/85/387211785.db2.gz FRLQEVSELDLBIE-TXEJJXNPSA-N 0 1 232.327 2.409 20 0 BEADMN NCc1cc(C(=O)N2CCC3(CCCC3)C2)co1 ZINC000187745014 387212026 /nfs/dbraw/zinc/21/20/26/387212026.db2.gz IDQVJJSUEDZGKB-UHFFFAOYSA-N 0 1 248.326 2.145 20 0 BEADMN Cc1ccnc([C@H](C)NCC[N@H+](C)C(C)C)c1 ZINC000353494684 387214464 /nfs/dbraw/zinc/21/44/64/387214464.db2.gz DOWHODWMWHWAIK-ZDUSSCGKSA-N 0 1 235.375 2.381 20 0 BEADMN CCC1CC(N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000336386183 387216383 /nfs/dbraw/zinc/21/63/83/387216383.db2.gz PRYKONLKCRCXCK-HTAVTVPLSA-N 0 1 234.347 2.200 20 0 BEADMN Cc1noc([C@H]2CCC[N@@H+]2CC[C@H](C)F)n1 ZINC000353576226 387232242 /nfs/dbraw/zinc/23/22/42/387232242.db2.gz PGLLEASOBAYHEE-WCBMZHEXSA-N 0 1 227.283 2.263 20 0 BEADMN Cc1noc([C@H]2CCCN2CC[C@H](C)F)n1 ZINC000353576226 387232249 /nfs/dbraw/zinc/23/22/49/387232249.db2.gz PGLLEASOBAYHEE-WCBMZHEXSA-N 0 1 227.283 2.263 20 0 BEADMN C[C@@H]1c2ccccc2CCN1C(=O)c1cnc[nH]1 ZINC000336404175 387233758 /nfs/dbraw/zinc/23/37/58/387233758.db2.gz QEIYJBFCXVXDKJ-SNVBAGLBSA-N 0 1 241.294 2.169 20 0 BEADMN Cc1noc([C@@H]2CCC[N@H+]2CCCCF)n1 ZINC000353574926 387233798 /nfs/dbraw/zinc/23/37/98/387233798.db2.gz NQPMWMUXNOKXRC-JTQLQIEISA-N 0 1 227.283 2.265 20 0 BEADMN Cc1noc([C@@H]2CCCN2CCCCF)n1 ZINC000353574926 387233803 /nfs/dbraw/zinc/23/38/03/387233803.db2.gz NQPMWMUXNOKXRC-JTQLQIEISA-N 0 1 227.283 2.265 20 0 BEADMN Cc1noc([C@H]2CCC[N@H+]2CCCCF)n1 ZINC000353574928 387234091 /nfs/dbraw/zinc/23/40/91/387234091.db2.gz NQPMWMUXNOKXRC-SNVBAGLBSA-N 0 1 227.283 2.265 20 0 BEADMN Cc1noc([C@H]2CCCN2CCCCF)n1 ZINC000353574928 387234097 /nfs/dbraw/zinc/23/40/97/387234097.db2.gz NQPMWMUXNOKXRC-SNVBAGLBSA-N 0 1 227.283 2.265 20 0 BEADMN CCc1nc(CN[C@@]2(C)CCO[C@@H]2C)cs1 ZINC000230155933 387236605 /nfs/dbraw/zinc/23/66/05/387236605.db2.gz WQHPHZSDOZSYSG-SKDRFNHKSA-N 0 1 240.372 2.363 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H](C)c2ccco2)n[nH]1 ZINC000097219003 387238816 /nfs/dbraw/zinc/23/88/16/387238816.db2.gz RNNUMWSNJGKPLF-VIFPVBQESA-N 0 1 247.298 2.398 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H](C)c2ccco2)n[nH]1 ZINC000097219005 387238887 /nfs/dbraw/zinc/23/88/87/387238887.db2.gz RNNUMWSNJGKPLF-SECBINFHSA-N 0 1 247.298 2.398 20 0 BEADMN CCC1(CC)CCN(Cc2nccn2C)C1 ZINC000353614297 387242877 /nfs/dbraw/zinc/24/28/77/387242877.db2.gz SBFQYZXOZJAXML-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000285156990 387243967 /nfs/dbraw/zinc/24/39/67/387243967.db2.gz MKRQIXHKKFLZCZ-IVZWLZJFSA-N 0 1 212.293 2.057 20 0 BEADMN CCC[C@@]1(COC)CCCN1Cc1ccon1 ZINC000194936423 387246470 /nfs/dbraw/zinc/24/64/70/387246470.db2.gz OWJRDTNCPWKWOI-ZDUSSCGKSA-N 0 1 238.331 2.456 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1[C@@H]1C[C@@H]1c1ccccc1 ZINC000572136630 387247506 /nfs/dbraw/zinc/24/75/06/387247506.db2.gz JAINVQPKXJGHPQ-IGHBBLSQSA-N 0 1 245.322 2.338 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1[C@@H]1C[C@@H]1c1ccccc1 ZINC000572136631 387247742 /nfs/dbraw/zinc/24/77/42/387247742.db2.gz JAINVQPKXJGHPQ-SCUASFONSA-N 0 1 245.322 2.338 20 0 BEADMN CC[C@H]1CCCC[C@H]1NCC(F)(F)CN ZINC000423345205 387194258 /nfs/dbraw/zinc/19/42/58/387194258.db2.gz NTGMIEAJVBGOPX-VHSXEESVSA-N 0 1 220.307 2.139 20 0 BEADMN CCC[C@@H](C)[C@@H](CC)NCC(F)(F)CN ZINC000423346383 387194515 /nfs/dbraw/zinc/19/45/15/387194515.db2.gz OWGDFFQXHLMPRS-NXEZZACHSA-N 0 1 222.323 2.385 20 0 BEADMN CCN(CC1CCC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571894644 387195516 /nfs/dbraw/zinc/19/55/16/387195516.db2.gz HMHAUKKCBNRXRB-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)C[C@@H]2C)nn1 ZINC000336366570 387196043 /nfs/dbraw/zinc/19/60/43/387196043.db2.gz HZHDKOUEBMGTDY-MNOVXSKESA-N 0 1 222.336 2.089 20 0 BEADMN CCCCCCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371360100 387198341 /nfs/dbraw/zinc/19/83/41/387198341.db2.gz NPIDCXMXQMZGRQ-LLVKDONJSA-N 0 1 249.358 2.354 20 0 BEADMN CCC(CC)[C@H](O)CN[C@@H](C)c1cc(C)on1 ZINC000353425409 387198727 /nfs/dbraw/zinc/19/87/27/387198727.db2.gz JPSMVNRWWUTEOW-GXFFZTMASA-N 0 1 240.347 2.431 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(F)F)[C@@H](C(=O)[O-])C1 ZINC000571932037 387200644 /nfs/dbraw/zinc/20/06/44/387200644.db2.gz YHCNXRUMZNMXCA-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CCCC[C@@H](C)[C@H](C)NCC(F)(F)CN ZINC000423349643 387200956 /nfs/dbraw/zinc/20/09/56/387200956.db2.gz XGTGIQKQGSGSDK-ZJUUUORDSA-N 0 1 222.323 2.385 20 0 BEADMN CC[C@H](NCC(F)(F)CN)C1CCCC1 ZINC000423348376 387201323 /nfs/dbraw/zinc/20/13/23/387201323.db2.gz SSRIKXCBVFSKSM-JTQLQIEISA-N 0 1 220.307 2.139 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000162088883 387314266 /nfs/dbraw/zinc/31/42/66/387314266.db2.gz HXRDQVMGUBNKGQ-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN O=C1CCC[C@@H]1[C@@H]1COCCN1[C@H]1C=CCCC1 ZINC000372613923 387314651 /nfs/dbraw/zinc/31/46/51/387314651.db2.gz TVBGKDMVPFROMJ-MJBXVCDLSA-N 0 1 249.354 2.165 20 0 BEADMN Cc1oncc1CN1CCC(c2cn[nH]c2)CC1 ZINC000372602823 387315238 /nfs/dbraw/zinc/31/52/38/387315238.db2.gz XVBXOEVXFBCBQU-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1csc(CN[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000230314597 387261006 /nfs/dbraw/zinc/26/10/06/387261006.db2.gz BPTIMMXHFPYGHV-CMPLNLGQSA-N 0 1 238.356 2.109 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000360362002 387271288 /nfs/dbraw/zinc/27/12/88/387271288.db2.gz GYMKKWDLMRNTEU-YUSALJHKSA-N 0 1 247.342 2.340 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000360361999 387271710 /nfs/dbraw/zinc/27/17/10/387271710.db2.gz GYMKKWDLMRNTEU-ADEWGFFLSA-N 0 1 247.342 2.340 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000189257850 387277507 /nfs/dbraw/zinc/27/75/07/387277507.db2.gz QIZKAUJMYHLACU-MNOVXSKESA-N 0 1 247.342 2.259 20 0 BEADMN CCC[C@@H]1CCCN([C@@H](C)C(=O)OCC)C1 ZINC000120877036 387278743 /nfs/dbraw/zinc/27/87/43/387278743.db2.gz KWIXOENVOVNBMJ-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000309791549 387282062 /nfs/dbraw/zinc/28/20/62/387282062.db2.gz UNZCOPGGIUJUQB-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN CCC[C@@H]1CCCN([C@@H](C)C(=O)OC)C1 ZINC000120942598 387285914 /nfs/dbraw/zinc/28/59/14/387285914.db2.gz HPDHWTCIFLUORL-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CN(C)C[C@H]1C(C)=CCC[C@H]1C ZINC000191047481 387289413 /nfs/dbraw/zinc/28/94/13/387289413.db2.gz XKCMBQURZZUBCV-OLZOCXBDSA-N 0 1 239.359 2.474 20 0 BEADMN CC/C=C/CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000514791256 387293400 /nfs/dbraw/zinc/29/34/00/387293400.db2.gz KMJUQGJQFPOPCX-UFFNRZRYSA-N 0 1 211.305 2.282 20 0 BEADMN Cn1nccc1CN1CC[C@H]1Cc1ccccc1 ZINC000353981688 387304892 /nfs/dbraw/zinc/30/48/92/387304892.db2.gz WNHQCMNEVROAAF-AWEZNQCLSA-N 0 1 241.338 2.237 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCCC ZINC000162046971 387309362 /nfs/dbraw/zinc/30/93/62/387309362.db2.gz MTXUKORJPXWQGR-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1cc(C)cc(CN(C)[C@@H]2CCCNC2=O)c1 ZINC000336543919 387365657 /nfs/dbraw/zinc/36/56/57/387365657.db2.gz FKLUXFMYZIKXSI-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CN(Cc1nccn1C)C1(C)CCCC1 ZINC000336546279 387368660 /nfs/dbraw/zinc/36/86/60/387368660.db2.gz FJMLXRRYHPPATQ-UHFFFAOYSA-N 0 1 207.321 2.185 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000360935328 387369331 /nfs/dbraw/zinc/36/93/31/387369331.db2.gz BBPMWCKJXDKLAZ-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000336551659 387372588 /nfs/dbraw/zinc/37/25/88/387372588.db2.gz GRRYMDRASKTAFC-TXEJJXNPSA-N 0 1 234.347 2.091 20 0 BEADMN CO[C@](C)(CN[C@@H](C)c1cc(C)on1)C1CC1 ZINC000360994067 387382031 /nfs/dbraw/zinc/38/20/31/387382031.db2.gz DFMKHIBBYDUUHY-GXFFZTMASA-N 0 1 238.331 2.449 20 0 BEADMN C[C@@H](NCCCc1ccncc1)c1ccon1 ZINC000360637268 387327163 /nfs/dbraw/zinc/32/71/63/387327163.db2.gz WPVDPFIHKVIVKN-LLVKDONJSA-N 0 1 231.299 2.353 20 0 BEADMN C[C@@H]1N(CCc2ccncc2)CCOC1(C)C ZINC000336505626 387331656 /nfs/dbraw/zinc/33/16/56/387331656.db2.gz LETBAJZZKJXBGG-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN c1nc(N[C@@H]2CCSC2)cc2c1CCC2 ZINC000336512362 387335250 /nfs/dbraw/zinc/33/52/50/387335250.db2.gz NZKVZICUCUYKLD-LLVKDONJSA-N 0 1 220.341 2.488 20 0 BEADMN FC1CN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000336522228 387338809 /nfs/dbraw/zinc/33/88/09/387338809.db2.gz PVBIKEWETUYLKU-UHFFFAOYSA-N 0 1 231.274 2.230 20 0 BEADMN CCC[C@H](C)CN1CC(OCCOCC)C1 ZINC000354197134 387344709 /nfs/dbraw/zinc/34/47/09/387344709.db2.gz YYRYOYLYHPMLKS-LBPRGKRZSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000648482510 387383611 /nfs/dbraw/zinc/38/36/11/387383611.db2.gz XAZRYIOPDCIKFN-WDEREUQCSA-N 0 1 246.314 2.327 20 0 BEADMN CC[C@@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000648482510 387383614 /nfs/dbraw/zinc/38/36/14/387383614.db2.gz XAZRYIOPDCIKFN-WDEREUQCSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1ccsc1CNCc1ccc(C)nn1 ZINC000396611888 387349247 /nfs/dbraw/zinc/34/92/47/387349247.db2.gz FXBDYNRSJAPNQV-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@H](C)[C@H](C)CC ZINC000423518709 387353870 /nfs/dbraw/zinc/35/38/70/387353870.db2.gz PGROSUIYQUUABR-JHJVBQTASA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nc([C@@H](C)SCCC(C)(C)O)n[nH]1 ZINC000572422868 387423923 /nfs/dbraw/zinc/42/39/23/387423923.db2.gz LCGTXQNXDBUZLE-SSDOTTSWSA-N 0 1 229.349 2.068 20 0 BEADMN O=C([O-])C[N@@H+](CCCOc1ccccc1)C1CC1 ZINC000037598532 387427587 /nfs/dbraw/zinc/42/75/87/387427587.db2.gz LKPYVIFRXIUCJK-UHFFFAOYSA-N 0 1 249.310 2.005 20 0 BEADMN CCN(CCC1CC1)C(=O)CN(CC)C1CC1 ZINC000354837598 387436546 /nfs/dbraw/zinc/43/65/46/387436546.db2.gz AMFKBDFCTGAVJJ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC2(C1)CCCCC2 ZINC000266274694 387437493 /nfs/dbraw/zinc/43/74/93/387437493.db2.gz YQDLAEOQVBLQBV-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN CCCC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000374301571 387440219 /nfs/dbraw/zinc/44/02/19/387440219.db2.gz JZKINLRILIQUEB-ZIAGYGMSSA-N 0 1 246.354 2.001 20 0 BEADMN CCN(CC(=O)N1CCC(C)=C(C)C1)C1CC1 ZINC000361353174 387443974 /nfs/dbraw/zinc/44/39/74/387443974.db2.gz SJFBQMQIKXEMIS-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN C(=C/c1ccncc1)\CN1CCO[C@@H]2CCC[C@H]21 ZINC000336605944 387448348 /nfs/dbraw/zinc/44/83/48/387448348.db2.gz BQLPVZNGXKEIJL-SWVJOTTGSA-N 0 1 244.338 2.348 20 0 BEADMN COc1cc(C)nc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000336611998 387452483 /nfs/dbraw/zinc/45/24/83/387452483.db2.gz UGNBBVKQRPGMQV-PHIMTYICSA-N 0 1 220.316 2.381 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCCC1(C)CC1 ZINC000423929218 387453672 /nfs/dbraw/zinc/45/36/72/387453672.db2.gz LUCIVDUXOHMHAV-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCCC2(C)CC2)cc1 ZINC000423933825 387455020 /nfs/dbraw/zinc/45/50/20/387455020.db2.gz XILSYYCKZXETAQ-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN COC[C@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000122004816 387458508 /nfs/dbraw/zinc/45/85/08/387458508.db2.gz QEGWUCPJQAEJFA-DZGCQCFKSA-N 0 1 249.354 2.269 20 0 BEADMN COC(C)(C)CNCc1c(F)ccc(O)c1F ZINC000352647522 387405235 /nfs/dbraw/zinc/40/52/35/387405235.db2.gz STATVKVTAUAUEA-UHFFFAOYSA-N 0 1 245.269 2.185 20 0 BEADMN C[C@@H]1[C@@H](C)N(Cc2ccc(Cl)o2)CCN1C ZINC000361165054 387407973 /nfs/dbraw/zinc/40/79/73/387407973.db2.gz INUQZGCWFUVGAA-NXEZZACHSA-N 0 1 242.750 2.457 20 0 BEADMN CCc1ccc(CN2CCCO[C@@H](C)C2)nc1 ZINC000336584020 387410608 /nfs/dbraw/zinc/41/06/08/387410608.db2.gz DAQBBEUJRQYNBC-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN C[N@H+](Cc1c[nH]cn1)[C@@H]1CCC(C)(C)C1 ZINC000336584017 387411146 /nfs/dbraw/zinc/41/11/46/387411146.db2.gz JAICBXQRCSTZQB-LLVKDONJSA-N 0 1 207.321 2.420 20 0 BEADMN C[N@@H+](Cc1c[nH]cn1)[C@@H]1CCC(C)(C)C1 ZINC000336584017 387411149 /nfs/dbraw/zinc/41/11/49/387411149.db2.gz JAICBXQRCSTZQB-LLVKDONJSA-N 0 1 207.321 2.420 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1ccsc1 ZINC000336595042 387420449 /nfs/dbraw/zinc/42/04/49/387420449.db2.gz WISRAEUXTSJNGL-UHFFFAOYSA-N 0 1 236.300 2.101 20 0 BEADMN Cc1cn[nH]c1CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000648076948 387504018 /nfs/dbraw/zinc/50/40/18/387504018.db2.gz RXARZINHMIEKPN-GFCCVEGCSA-N 0 1 249.358 2.252 20 0 BEADMN CN(CCc1ccccn1)CC1(F)CC1 ZINC000527235372 387543079 /nfs/dbraw/zinc/54/30/79/387543079.db2.gz QGXAUEDWADYSBO-UHFFFAOYSA-N 0 1 208.280 2.058 20 0 BEADMN Cc1ccc(CNCc2cccn2C)o1 ZINC000053035597 387510851 /nfs/dbraw/zinc/51/08/51/387510851.db2.gz MOPSULBQDRYVID-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN O=C1OCC[C@H]1N1CCCC2(CCCCC2)C1 ZINC000111323314 387543490 /nfs/dbraw/zinc/54/34/90/387543490.db2.gz GIHALQCWDNSVMJ-GFCCVEGCSA-N 0 1 237.343 2.348 20 0 BEADMN COC(=O)[C@H](C)N(C)CCCC1CCCC1 ZINC000361644778 387515096 /nfs/dbraw/zinc/51/50/96/387515096.db2.gz BEKCSJVNCOOUOH-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@H](C)CC(=O)NCCN1CC=CCC1 ZINC000355369763 387528822 /nfs/dbraw/zinc/52/88/22/387528822.db2.gz XSCUFJHSHPDGRQ-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1csc(CN(C[C@@H](C)O)C(C)C)n1 ZINC000304972051 387535385 /nfs/dbraw/zinc/53/53/85/387535385.db2.gz WUMQGLBPECCZPA-SNVBAGLBSA-N 0 1 228.361 2.043 20 0 BEADMN CC(C)OC1CCN(CC2(F)CC2)CC1 ZINC000527218311 387539512 /nfs/dbraw/zinc/53/95/12/387539512.db2.gz KHWJGNKLJGXYGO-UHFFFAOYSA-N 0 1 215.312 2.378 20 0 BEADMN FC1(F)CC(NCc2cncs2)C1 ZINC000277663437 387540093 /nfs/dbraw/zinc/54/00/93/387540093.db2.gz OFFWHWIRISXGTQ-UHFFFAOYSA-N 0 1 204.245 2.030 20 0 BEADMN CCN(CCC1CC1)Cc1ncc(C)cn1 ZINC000355034153 387467563 /nfs/dbraw/zinc/46/75/63/387467563.db2.gz KXIJAGLKWSPFON-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN COCC1=CCN(C/C=C/c2ccncc2)CC1 ZINC000426148400 387541929 /nfs/dbraw/zinc/54/19/29/387541929.db2.gz INUVFSWEMYAHPZ-NSCUHMNNSA-N 0 1 244.338 2.373 20 0 BEADMN CCN(CCC1CC1)Cc1ccn(C)n1 ZINC000355059190 387473169 /nfs/dbraw/zinc/47/31/69/387473169.db2.gz HEZFNGPUKXZRTF-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000085161434 387480019 /nfs/dbraw/zinc/48/00/19/387480019.db2.gz GMOQXSKWLHHLQL-CHWSQXEVSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1ccc(CN(CCO)[C@H]2C=CCCC2)o1 ZINC000361528633 387481704 /nfs/dbraw/zinc/48/17/04/387481704.db2.gz BADNSFUSWFBACT-ZDUSSCGKSA-N 0 1 235.327 2.491 20 0 BEADMN CCCc1noc(CN2CC[C@@H]3CCC[C@H]32)n1 ZINC000355165959 387492833 /nfs/dbraw/zinc/49/28/33/387492833.db2.gz MUORYSSRROYASN-WDEREUQCSA-N 0 1 235.331 2.397 20 0 BEADMN COC1(CN(C)Cc2cc[nH]n2)CCCCC1 ZINC000361562913 387492891 /nfs/dbraw/zinc/49/28/91/387492891.db2.gz JOAZZCMUDIROKW-UHFFFAOYSA-N 0 1 237.347 2.191 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000375922323 387594818 /nfs/dbraw/zinc/59/48/18/387594818.db2.gz MQAWMROHEQQQSQ-CABZTGNLSA-N 0 1 247.342 2.080 20 0 BEADMN COCc1ccc(CN2[C@@H](C)C[C@@H]2C)o1 ZINC000527529610 387598022 /nfs/dbraw/zinc/59/80/22/387598022.db2.gz HVZMEXHIJDMOKV-UWVGGRQHSA-N 0 1 209.289 2.409 20 0 BEADMN COCc1ccc(CN2[C@H](C)C[C@H]2C)o1 ZINC000527529609 387598171 /nfs/dbraw/zinc/59/81/71/387598171.db2.gz HVZMEXHIJDMOKV-NXEZZACHSA-N 0 1 209.289 2.409 20 0 BEADMN Cn1c(Cl)cnc1CN1CC2CCC1CC2 ZINC000362339033 387598855 /nfs/dbraw/zinc/59/88/55/387598855.db2.gz DSOZOINBJFEGLC-UHFFFAOYSA-N 0 1 239.750 2.448 20 0 BEADMN COC1(CNCc2ncccc2F)CCCC1 ZINC000527531130 387601911 /nfs/dbraw/zinc/60/19/11/387601911.db2.gz BKBMHWFUVHZJRE-UHFFFAOYSA-N 0 1 238.306 2.270 20 0 BEADMN CC1=C[C@@H](C)CN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000430273297 387605944 /nfs/dbraw/zinc/60/59/44/387605944.db2.gz DFUWAWSBQOAHCM-DGCLKSJQSA-N 0 1 238.375 2.045 20 0 BEADMN COc1ncccc1CN1CC(C)=C[C@H](C)C1 ZINC000430277267 387607302 /nfs/dbraw/zinc/60/73/02/387607302.db2.gz FSNZFHFYIGIFMY-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN CC[C@H](O)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000367220331 387612066 /nfs/dbraw/zinc/61/20/66/387612066.db2.gz TYIQSJDGSFEIRW-KBPBESRZSA-N 0 1 237.318 2.328 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CCCC[C@H]1C ZINC000527241563 387548482 /nfs/dbraw/zinc/54/84/82/387548482.db2.gz ILUFZNGXSRZENI-IJLUTSLNSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)NC1CCC(C)CC1 ZINC000548425762 387550353 /nfs/dbraw/zinc/55/03/53/387550353.db2.gz AEYNJAPILPLUMI-ZFQMDJOTSA-N 0 1 238.375 2.164 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000548426001 387551628 /nfs/dbraw/zinc/55/16/28/387551628.db2.gz ACLNJQCZTWIYST-YFKTTZPYSA-N 0 1 226.364 2.162 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1[C@H](C)C[C@H]1C ZINC000548426000 387551687 /nfs/dbraw/zinc/55/16/87/387551687.db2.gz ACLNJQCZTWIYST-QCNOEVLYSA-N 0 1 226.364 2.162 20 0 BEADMN COC(=O)c1cccc(NCc2cn[nH]c2C)c1 ZINC000036901728 387556687 /nfs/dbraw/zinc/55/66/87/387556687.db2.gz ZNVAGNPFBIOHDL-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CN(CCCCF)Cc1cn2c(n1)CCCC2 ZINC000375670496 387564367 /nfs/dbraw/zinc/56/43/67/387564367.db2.gz BCVVLGOJFQRVFM-UHFFFAOYSA-N 0 1 239.338 2.401 20 0 BEADMN Cc1ncc(CNCCF)n1-c1ccccc1 ZINC000280833857 387571797 /nfs/dbraw/zinc/57/17/97/387571797.db2.gz XIRHNRGCUQEACZ-UHFFFAOYSA-N 0 1 233.290 2.240 20 0 BEADMN COC(=O)c1occc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426463928 387571949 /nfs/dbraw/zinc/57/19/49/387571949.db2.gz ZLSPOYGVKYLERN-CMPLNLGQSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1occc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426463928 387571952 /nfs/dbraw/zinc/57/19/52/387571952.db2.gz ZLSPOYGVKYLERN-CMPLNLGQSA-N 0 1 249.310 2.441 20 0 BEADMN Clc1cnccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000527536802 387632453 /nfs/dbraw/zinc/63/24/53/387632453.db2.gz UJVSRNJLOZNVQT-AOOOYVTPSA-N 0 1 208.692 2.187 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@H]1CCCN1C1CC1 ZINC000362697551 387650801 /nfs/dbraw/zinc/65/08/01/387650801.db2.gz CEFNSUZGFGERHP-WCQYABFASA-N 0 1 238.375 2.308 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1n[nH]cc1C ZINC000356406911 387655865 /nfs/dbraw/zinc/65/58/65/387655865.db2.gz GBYXUXFIMWBMHO-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN O=C(Nc1nccs1)c1ccc(F)cc1O ZINC000123188315 387658856 /nfs/dbraw/zinc/65/88/56/387658856.db2.gz MNWGWHQRPSMQRD-UHFFFAOYSA-N 0 1 238.243 2.240 20 0 BEADMN C[C@H](F)CCNC(=O)c1n[nH]c2ccccc21 ZINC000356672630 387695926 /nfs/dbraw/zinc/69/59/26/387695926.db2.gz MQXDDIWOHOQNAB-QMMMGPOBSA-N 0 1 235.262 2.041 20 0 BEADMN Cc1noc([C@@H](C)NCCc2ccccc2)n1 ZINC000356533923 387671045 /nfs/dbraw/zinc/67/10/45/387671045.db2.gz XLOGEIPLGBGXEV-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN CCCCC[C@H]1CCCN1Cc1ncnn1C ZINC000362951265 387677727 /nfs/dbraw/zinc/67/77/27/387677727.db2.gz LQWZEMWXEMSAHG-LBPRGKRZSA-N 0 1 236.363 2.360 20 0 BEADMN CC[C@@H](F)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000440709336 387677994 /nfs/dbraw/zinc/67/79/94/387677994.db2.gz IFBSEPSAPPQKJU-VXGBXAGGSA-N 0 1 225.311 2.305 20 0 BEADMN CSC1(CN2CCC=C(F)C2)CC1 ZINC000306227344 387680528 /nfs/dbraw/zinc/68/05/28/387680528.db2.gz HGQZCPRNZQFEJD-UHFFFAOYSA-N 0 1 201.310 2.441 20 0 BEADMN Cc1nnc([C@H](C)N2CCC3(CCC3)C2)o1 ZINC000123367721 387687290 /nfs/dbraw/zinc/68/72/90/387687290.db2.gz DWFUIUFRGYFATJ-VIFPVBQESA-N 0 1 221.304 2.315 20 0 BEADMN CCOC[C@@H](C)NCc1ccc(F)cc1F ZINC000044688179 387689380 /nfs/dbraw/zinc/68/93/80/387689380.db2.gz UMFBHAHSEFGICV-SECBINFHSA-N 0 1 229.270 2.479 20 0 BEADMN CCOC[C@H](C)NCc1ccc(F)cc1F ZINC000044688182 387690267 /nfs/dbraw/zinc/69/02/67/387690267.db2.gz UMFBHAHSEFGICV-VIFPVBQESA-N 0 1 229.270 2.479 20 0 BEADMN CCC1(CC)CCC(NC(=O)CN(C)C)CC1 ZINC000356905225 387743837 /nfs/dbraw/zinc/74/38/37/387743837.db2.gz KLURUDGCGSXLKS-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)(C)OCCN1CCC[C@H]1c1cc[nH]n1 ZINC000377809178 387748653 /nfs/dbraw/zinc/74/86/53/387748653.db2.gz MHMYPAUUAVRZJN-LBPRGKRZSA-N 0 1 237.347 2.362 20 0 BEADMN CCC(CC)CN(CC)[C@@H](C)c1nnnn1C ZINC000188729193 387754522 /nfs/dbraw/zinc/75/45/22/387754522.db2.gz CPFRKXSDTSCOPD-JTQLQIEISA-N 0 1 239.367 2.029 20 0 BEADMN C[C@@H](CO)CNCc1csc(C(C)(C)C)n1 ZINC000123456305 387698832 /nfs/dbraw/zinc/69/88/32/387698832.db2.gz VVQFAMXYGBASHJ-SECBINFHSA-N 0 1 242.388 2.159 20 0 BEADMN C[C@]12CN(Cc3ncccn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452040312 387706758 /nfs/dbraw/zinc/70/67/58/387706758.db2.gz ABOSCMFUDPEOMU-QVHKTLOISA-N 0 1 243.354 2.345 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cnc(CC)s1 ZINC000527783237 387710250 /nfs/dbraw/zinc/71/02/50/387710250.db2.gz RBWQCUKDVAWEAY-PWSUYJOCSA-N 0 1 240.372 2.363 20 0 BEADMN CCc1ncc(CNCc2cccnc2C)cn1 ZINC000527794083 387719294 /nfs/dbraw/zinc/71/92/94/387719294.db2.gz SVZIDMIVQSYIMC-UHFFFAOYSA-N 0 1 242.326 2.032 20 0 BEADMN Cc1ncccc1CNCc1cnn(C(C)C)c1 ZINC000527793460 387719565 /nfs/dbraw/zinc/71/95/65/387719565.db2.gz IQOOTCUCDWPNOW-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN CC(C)(C)OCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000377465849 387720855 /nfs/dbraw/zinc/72/08/55/387720855.db2.gz UBTLPLWNJAFZMG-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)s1 ZINC000527804672 387727868 /nfs/dbraw/zinc/72/78/68/387727868.db2.gz RLICCCXSXQTLRY-WDCWCFNPSA-N 0 1 240.372 2.353 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)CCC(C)(C)C)CCN1C ZINC000356849638 387732841 /nfs/dbraw/zinc/73/28/41/387732841.db2.gz LLPUSBDIBHPTBL-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356869908 387735646 /nfs/dbraw/zinc/73/56/46/387735646.db2.gz IHEBERPFEIKQOA-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CC(C)c1ncc(CN2CCC(O)CC2)s1 ZINC000128058130 387735953 /nfs/dbraw/zinc/73/59/53/387735953.db2.gz HJTWXLCXPOQSLI-UHFFFAOYSA-N 0 1 240.372 2.223 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356869903 387736748 /nfs/dbraw/zinc/73/67/48/387736748.db2.gz IHEBERPFEIKQOA-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCC[C@@H]2O)o1 ZINC000356993862 387761819 /nfs/dbraw/zinc/76/18/19/387761819.db2.gz XZCNUEZGBQHHME-TUAOUCFPSA-N 0 1 238.331 2.137 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[S@@](=O)[C@@H](C)C1 ZINC000441482412 387764546 /nfs/dbraw/zinc/76/45/46/387764546.db2.gz CXAPRKZUTQSXAI-XHDPSFHLSA-N 0 1 231.405 2.266 20 0 BEADMN CCC(C)(C)CCN1CC[S@@](=O)[C@@H](C)C1 ZINC000441482412 387764548 /nfs/dbraw/zinc/76/45/48/387764548.db2.gz CXAPRKZUTQSXAI-XHDPSFHLSA-N 0 1 231.405 2.266 20 0 BEADMN C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccoc1 ZINC000309510055 387812559 /nfs/dbraw/zinc/81/25/59/387812559.db2.gz XCFLTHWQOPZYMC-NEPJUHHUSA-N 0 1 222.332 2.272 20 0 BEADMN CCn1ncc(CN[C@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000527924053 387790997 /nfs/dbraw/zinc/79/09/97/387790997.db2.gz NWHOZGCDFMCPJU-RYUDHWBXSA-N 0 1 236.363 2.212 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1cccnc1C ZINC000527986326 387804470 /nfs/dbraw/zinc/80/44/70/387804470.db2.gz KPIHXNZBYYSGJM-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN CCC(C)(C)CCN(C)[C@@H](C)CS(C)(=O)=O ZINC000441389511 387757643 /nfs/dbraw/zinc/75/76/43/387757643.db2.gz ZRVNTAHLIWMEOD-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCOCC2)[C@@H](C)[C@H](C)O1 ZINC000432789223 387820274 /nfs/dbraw/zinc/82/02/74/387820274.db2.gz QIEPQWYGKQEAIG-AGIUHOORSA-N 0 1 241.375 2.301 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CC1(C)CCC1 ZINC000432790462 387820643 /nfs/dbraw/zinc/82/06/43/387820643.db2.gz WYDIDBAEWPHNHG-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1nsc(NCC[C@H]2CC=CCC2)n1 ZINC000528184158 387872975 /nfs/dbraw/zinc/87/29/75/387872975.db2.gz XLRZYIAXLGMURN-JTQLQIEISA-N 0 1 223.345 2.427 20 0 BEADMN CCC[C@H](C)NCc1n[nH]cc1Br ZINC000379418834 387829040 /nfs/dbraw/zinc/82/90/40/387829040.db2.gz WVDQTVSLWJIVAL-ZETCQYMHSA-N 0 1 246.152 2.450 20 0 BEADMN CC[C@H]1CCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000432826057 387829541 /nfs/dbraw/zinc/82/95/41/387829541.db2.gz YAMMFDKXGQHCDW-JTQLQIEISA-N 0 1 236.363 2.477 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1nccn1C ZINC000442793717 387840626 /nfs/dbraw/zinc/84/06/26/387840626.db2.gz OLDCRUBBDWOQQR-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN COCC[C@H]1CCCC[N@@H+](Cc2cocn2)C1 ZINC000432920070 387840953 /nfs/dbraw/zinc/84/09/53/387840953.db2.gz WVGMDQYHAATVOE-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN COCC[C@H]1CCCCN(Cc2cocn2)C1 ZINC000432920070 387840959 /nfs/dbraw/zinc/84/09/59/387840959.db2.gz WVGMDQYHAATVOE-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN CN(Cc1cocn1)C[C@H]1CC=CCC1 ZINC000432916940 387842070 /nfs/dbraw/zinc/84/20/70/387842070.db2.gz KCHYXNQNKNROJT-NSHDSACASA-N 0 1 206.289 2.463 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC000452525758 387848744 /nfs/dbraw/zinc/84/87/44/387848744.db2.gz JHHFZLLSIGJBFZ-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC(=O)N1CCN(CC2=CCCC2)C(C)(C)C1 ZINC000645847645 387856767 /nfs/dbraw/zinc/85/67/67/387856767.db2.gz NYRKEZKCZIPIAV-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CN(C)c1ncc(CN(C)CC2=CCCC2)cn1 ZINC000645849785 387862655 /nfs/dbraw/zinc/86/26/55/387862655.db2.gz YULVNFYIQNCNCS-UHFFFAOYSA-N 0 1 246.358 2.085 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000452603015 387870756 /nfs/dbraw/zinc/87/07/56/387870756.db2.gz OGQPFNJGRTVFFR-CLTKARDFSA-N 0 1 247.342 2.375 20 0 BEADMN CCC(CC)CNCc1nccc(OC)n1 ZINC000424173103 387871040 /nfs/dbraw/zinc/87/10/40/387871040.db2.gz PBBIRXDWMGRBFW-UHFFFAOYSA-N 0 1 223.320 2.011 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccco1 ZINC000527973090 387813796 /nfs/dbraw/zinc/81/37/96/387813796.db2.gz DHIYKABKEAYLCE-WCQGTBRESA-N 0 1 209.289 2.498 20 0 BEADMN CN(CCC1CC1)C(=O)c1[nH]nc2ccccc21 ZINC000154029240 387896642 /nfs/dbraw/zinc/89/66/42/387896642.db2.gz WVICXZBGFPUHML-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN C1=C(CN2CCN(c3ccccn3)CC2)CCC1 ZINC000645773916 387897356 /nfs/dbraw/zinc/89/73/56/387897356.db2.gz HKHLHPRKBKFWPM-UHFFFAOYSA-N 0 1 243.354 2.314 20 0 BEADMN CC(C)=CCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000194407760 387881861 /nfs/dbraw/zinc/88/18/61/387881861.db2.gz ZCXYJSZJPGUECW-CQSZACIVSA-N 0 1 246.354 2.372 20 0 BEADMN CC[C@@](C)(CNCc1ccn(C(C)C)n1)OC ZINC000322541047 387881803 /nfs/dbraw/zinc/88/18/03/387881803.db2.gz SRCKFBPFHNPEGG-ZDUSSCGKSA-N 0 1 239.363 2.369 20 0 BEADMN Fc1ccc2c(c1)nccc2NCC1COC1 ZINC000528225559 387882005 /nfs/dbraw/zinc/88/20/05/387882005.db2.gz ISASLQZFYIIGQC-UHFFFAOYSA-N 0 1 232.258 2.432 20 0 BEADMN COc1ccnc(CNC[C@@H]2CCCC[C@H]2C)n1 ZINC000424194781 387918389 /nfs/dbraw/zinc/91/83/89/387918389.db2.gz WXPIJCRISSMPNI-NEPJUHHUSA-N 0 1 249.358 2.401 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000424185193 387899282 /nfs/dbraw/zinc/89/92/82/387899282.db2.gz FNPBSDHALQSDDV-GRYCIOLGSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1cccc(C)n1 ZINC000645776621 387899417 /nfs/dbraw/zinc/89/94/17/387899417.db2.gz FKTGLQVQUAFVIG-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000173568637 387899824 /nfs/dbraw/zinc/89/98/24/387899824.db2.gz VCNQKKCYZJEPDB-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)(C)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000195068446 387904191 /nfs/dbraw/zinc/90/41/91/387904191.db2.gz UBXWEGXPFCJKHO-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN(Cc1cc(CO)ccc1F)C1CC1 ZINC000528350239 387907141 /nfs/dbraw/zinc/90/71/41/387907141.db2.gz MENOMQSZSOLPSQ-UHFFFAOYSA-N 0 1 223.291 2.302 20 0 BEADMN COc1ccnc(CN[C@@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000424188054 387908400 /nfs/dbraw/zinc/90/84/00/387908400.db2.gz KBICVCFQDOCQJR-WDEREUQCSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@H]1CCCN(CC(=O)Nc2ccncc2)C1 ZINC000195133719 387908491 /nfs/dbraw/zinc/90/84/91/387908491.db2.gz WGDICWPFTBVLKR-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC000452763971 387908967 /nfs/dbraw/zinc/90/89/67/387908967.db2.gz HFNMZALMBFWGNX-PWSUYJOCSA-N 0 1 243.310 2.110 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC000452771089 387912882 /nfs/dbraw/zinc/91/28/82/387912882.db2.gz GERSPLGYRGFVOP-ZJUUUORDSA-N 0 1 243.310 2.339 20 0 BEADMN CO[C@H](C)CNCc1c(F)cc(C)cc1F ZINC000424190111 387913825 /nfs/dbraw/zinc/91/38/25/387913825.db2.gz LWFIIWGRRKGGSQ-SECBINFHSA-N 0 1 229.270 2.398 20 0 BEADMN Cc1occc1CN[C@H](CO)c1ccccc1 ZINC000321044338 387936703 /nfs/dbraw/zinc/93/67/03/387936703.db2.gz AZZQLEDQGVBOAA-CQSZACIVSA-N 0 1 231.295 2.411 20 0 BEADMN C[C@@]1(O)CCN(Cc2ccc(Cl)s2)C1 ZINC000178005700 387920634 /nfs/dbraw/zinc/92/06/34/387920634.db2.gz XHOZWVNNGBBBII-SNVBAGLBSA-N 0 1 231.748 2.358 20 0 BEADMN CCC[C@]1(CO)CCCN1Cc1ncc(C)o1 ZINC000444770272 387924851 /nfs/dbraw/zinc/92/48/51/387924851.db2.gz DLEYZHZMBRXGNQ-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN CC(C)CCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000450345539 387954429 /nfs/dbraw/zinc/95/44/29/387954429.db2.gz BDFMWLNQDATHHO-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000242791879 387937927 /nfs/dbraw/zinc/93/79/27/387937927.db2.gz FAEMTIUJXNWMGD-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC(=O)N1CCN(CCC2=CCCCC2)CC1 ZINC000240821438 387937946 /nfs/dbraw/zinc/93/79/46/387937946.db2.gz BDCVENMRAORLQS-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN Fc1cc(F)c(CN[C@@H]2CCCOC2)cc1F ZINC000225275678 387941193 /nfs/dbraw/zinc/94/11/93/387941193.db2.gz MTHPPBLIIOPZFA-SECBINFHSA-N 0 1 245.244 2.373 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]2C[C@H](C)O)s1 ZINC000245543646 387957934 /nfs/dbraw/zinc/95/79/34/387957934.db2.gz SUXMBOLCGXBUOY-GXSJLCMTSA-N 0 1 240.372 2.187 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000424305047 387961919 /nfs/dbraw/zinc/96/19/19/387961919.db2.gz CJAYCTRAHLKPJW-SNVBAGLBSA-N 0 1 235.331 2.154 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)n1 ZINC000424304773 387962762 /nfs/dbraw/zinc/96/27/62/387962762.db2.gz BWCUBZRDHJPQLZ-GYSYKLTISA-N 0 1 247.342 2.154 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@H]2C(C)C)n1 ZINC000424309730 387963323 /nfs/dbraw/zinc/96/33/23/387963323.db2.gz QZYQDKHYGWFJTO-NWDGAFQWSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CN[C@H](C)CC(C)(C)C)n1 ZINC000424307506 387964416 /nfs/dbraw/zinc/96/44/16/387964416.db2.gz LSCCUSVTCCSEAT-SNVBAGLBSA-N 0 1 237.347 2.400 20 0 BEADMN CCC[C@@]1(C)C(=O)NCCN1CC1=CCCC1 ZINC000645881623 387966824 /nfs/dbraw/zinc/96/68/24/387966824.db2.gz GDLGARKQPHRXKZ-AWEZNQCLSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@H](O)CCN[C@H](C)c1csc(C)n1 ZINC000158868412 387968739 /nfs/dbraw/zinc/96/87/39/387968739.db2.gz HJNXZYVNJJPOEP-SCZZXKLOSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1cc([C@@H](C)NCc2n[nH]c(C)n2)c(C)o1 ZINC000392343945 387957133 /nfs/dbraw/zinc/95/71/33/387957133.db2.gz DBSXMEHSSAAEFU-MRVPVSSYSA-N 0 1 234.303 2.174 20 0 BEADMN CCCCOCCN[C@@H](C)c1nccn1CC ZINC000453078006 387980676 /nfs/dbraw/zinc/98/06/76/387980676.db2.gz BGMGDKURCRULEB-LBPRGKRZSA-N 0 1 239.363 2.370 20 0 BEADMN CC[C@@H](NC[C@H](O)C(F)(F)F)c1ccncc1 ZINC000453092184 387981816 /nfs/dbraw/zinc/98/18/16/387981816.db2.gz LZVZIWAJZLSVFP-ZJUUUORDSA-N 0 1 248.248 2.046 20 0 BEADMN CC[C@@H]1CN(C)CC[N@H+]1CC1=CCCC1 ZINC000645923380 387972867 /nfs/dbraw/zinc/97/28/67/387972867.db2.gz XPALPTMYJCYUST-CYBMUJFWSA-N 0 1 208.349 2.123 20 0 BEADMN CC[C@H](NC[C@@H](O)C(F)(F)F)c1ccncc1 ZINC000453092182 387981647 /nfs/dbraw/zinc/98/16/47/387981647.db2.gz LZVZIWAJZLSVFP-VHSXEESVSA-N 0 1 248.248 2.046 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453111760 387987710 /nfs/dbraw/zinc/98/77/10/387987710.db2.gz BPVMUBYGKKDJSJ-YVECIDJPSA-N 0 1 249.358 2.436 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H](COC)C(C)C ZINC000453114021 387988345 /nfs/dbraw/zinc/98/83/45/387988345.db2.gz FZRXEJODBHQPQW-NEPJUHHUSA-N 0 1 239.363 2.225 20 0 BEADMN C[C@H]1CCN(Cc2cn3cccnc3n2)C[C@H]1C ZINC000245894108 387990526 /nfs/dbraw/zinc/99/05/26/387990526.db2.gz KCLZPAGQOSMEBZ-NWDGAFQWSA-N 0 1 244.342 2.207 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@H](OC)C(C)C ZINC000453125658 387991513 /nfs/dbraw/zinc/99/15/13/387991513.db2.gz TUBOQFSPMSQFMP-NEPJUHHUSA-N 0 1 239.363 2.225 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccoc1 ZINC000082266619 388018740 /nfs/dbraw/zinc/01/87/40/388018740.db2.gz DPTHEHFZLIMUOM-UHFFFAOYSA-N 0 1 227.223 2.408 20 0 BEADMN C[C@@](NCC1=CCCC1)(C(N)=O)c1ccccc1 ZINC000645824577 388020099 /nfs/dbraw/zinc/02/00/99/388020099.db2.gz KXTRYKADXFWHBP-HNNXBMFYSA-N 0 1 244.338 2.087 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1nccn1CC)OC ZINC000453244905 388023062 /nfs/dbraw/zinc/02/30/62/388023062.db2.gz HQBVPRXYOZTYTJ-RYUDHWBXSA-N 0 1 239.363 2.369 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCOC1(C)C ZINC000453297331 388037972 /nfs/dbraw/zinc/03/79/72/388037972.db2.gz RHGWAHMUGIJBQP-GHMZBOCLSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@@](C)(CN[C@H](C)c1cc(C)on1)OC ZINC000453304280 388039614 /nfs/dbraw/zinc/03/96/14/388039614.db2.gz OUNWYGRGGCAAMO-PWSUYJOCSA-N 0 1 226.320 2.449 20 0 BEADMN Cc1c(CN(C)CC2=CCCC2)cnn1C ZINC000645895333 388043374 /nfs/dbraw/zinc/04/33/74/388043374.db2.gz JYQGQBKIBCBWQF-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1cc(C)n(C)n1)OC ZINC000453253931 388027035 /nfs/dbraw/zinc/02/70/35/388027035.db2.gz QIHSGGBTGFEPPB-RYUDHWBXSA-N 0 1 239.363 2.194 20 0 BEADMN CCC[C@@H](CN[C@@H](CC)c1ccn(C)n1)OC ZINC000453261203 388028828 /nfs/dbraw/zinc/02/88/28/388028828.db2.gz YTVBNPMYNJIDFP-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN CCc1nc(CN[C@@H](COC)C(C)C)cs1 ZINC000083399611 388051555 /nfs/dbraw/zinc/05/15/55/388051555.db2.gz IUHZDKVOCFEUQA-NSHDSACASA-N 0 1 242.388 2.466 20 0 BEADMN CO[C@@H]([C@H](C)N[C@H](C)c1cc(C)on1)C1CC1 ZINC000453341473 388052372 /nfs/dbraw/zinc/05/23/72/388052372.db2.gz CFQYPJKPYYOQMY-NRUUGDAUSA-N 0 1 238.331 2.447 20 0 BEADMN COC[C@@H](NCc1cnc(C2CC2)o1)C1CC1 ZINC000453351021 388054704 /nfs/dbraw/zinc/05/47/04/388054704.db2.gz KLZQQIOBFDZOAT-GFCCVEGCSA-N 0 1 236.315 2.067 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@H](F)CC ZINC000440567928 388055356 /nfs/dbraw/zinc/05/53/56/388055356.db2.gz IYKPUMQBULWCCS-SSDOTTSWSA-N 0 1 233.312 2.234 20 0 BEADMN Cc1cc([C@H](C)NCCC[C@H]2CCOC2)no1 ZINC000453362834 388059259 /nfs/dbraw/zinc/05/92/59/388059259.db2.gz LFLVQCWKISWBOT-RYUDHWBXSA-N 0 1 238.331 2.450 20 0 BEADMN Cc1cc([C@@H](C)NCCC[C@@H]2CCOC2)no1 ZINC000453362836 388060078 /nfs/dbraw/zinc/06/00/78/388060078.db2.gz LFLVQCWKISWBOT-VXGBXAGGSA-N 0 1 238.331 2.450 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cc(C)no1 ZINC000453415252 388077869 /nfs/dbraw/zinc/07/78/69/388077869.db2.gz MEGDJBLPBDKQGV-GFCCVEGCSA-N 0 1 238.331 2.374 20 0 BEADMN CCC[C@@H](N[C@@H](CC)C(=O)NC)c1ccccn1 ZINC000453424471 388080439 /nfs/dbraw/zinc/08/04/39/388080439.db2.gz YBAGSZLDLAPQLR-WCQYABFASA-N 0 1 249.358 2.037 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NCc1ncc[nH]1 ZINC000453618033 388093588 /nfs/dbraw/zinc/09/35/88/388093588.db2.gz UUXPWPIIOZEJPJ-ZYHUDNBSSA-N 0 1 207.321 2.324 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NCc1ncc[nH]1 ZINC000453618030 388093698 /nfs/dbraw/zinc/09/36/98/388093698.db2.gz UUXPWPIIOZEJPJ-CMPLNLGQSA-N 0 1 207.321 2.324 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2cccnc2)n1 ZINC000083331178 388049029 /nfs/dbraw/zinc/04/90/29/388049029.db2.gz DBLGXSHOFGJVTE-JTQLQIEISA-N 0 1 232.287 2.178 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)n2ccnc21)[C@]1(C)CCCO1 ZINC000453331758 388049736 /nfs/dbraw/zinc/04/97/36/388049736.db2.gz AHVYNDPDYAQTQU-NMKXLXIOSA-N 0 1 249.358 2.436 20 0 BEADMN CCOCCCSCc1n[nH]c(C2CC2)n1 ZINC000447038726 388050018 /nfs/dbraw/zinc/05/00/18/388050018.db2.gz GBAPYWRRDXXCJG-UHFFFAOYSA-N 0 1 241.360 2.342 20 0 BEADMN O=C([O-])c1csc(C[NH2+]Cc2ccccc2)n1 ZINC000083378585 388050314 /nfs/dbraw/zinc/05/03/14/388050314.db2.gz CBZZFUPHEKMRGX-UHFFFAOYSA-N 0 1 248.307 2.131 20 0 BEADMN FCC(CF)N[C@H]1CCCC12CCOCC2 ZINC000449380002 388187987 /nfs/dbraw/zinc/18/79/87/388187987.db2.gz LMKLAZKGNHBFOW-NSHDSACASA-N 0 1 233.302 2.233 20 0 BEADMN C[C@H]1CC=C(C(=O)NCCN2CC=CCC2)CC1 ZINC000456020047 388172059 /nfs/dbraw/zinc/17/20/59/388172059.db2.gz GCRBAQGEFIROGQ-ZDUSSCGKSA-N 0 1 248.370 2.111 20 0 BEADMN CC(C)(C)CCC(=O)N1CCc2nc[nH]c2C1 ZINC000646261800 388173191 /nfs/dbraw/zinc/17/31/91/388173191.db2.gz YAWFWCVCZUUFBP-UHFFFAOYSA-N 0 1 235.331 2.121 20 0 BEADMN CCN(Cc1cccc(OC)c1F)[C@@H](C)CO ZINC000646263131 388173259 /nfs/dbraw/zinc/17/32/59/388173259.db2.gz YBBZVLLBVFHJNT-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CC(C)[N@@H+](C[C@H]1CC=CCC1)C1COC1 ZINC000449350164 388178939 /nfs/dbraw/zinc/17/89/39/388178939.db2.gz IRPMBLYTSIGUOU-LBPRGKRZSA-N 0 1 209.333 2.452 20 0 BEADMN CCc1nnc([C@H](C)NC2CC(C(C)C)C2)[nH]1 ZINC000488450150 388180424 /nfs/dbraw/zinc/18/04/24/388180424.db2.gz RJDNNAXZVKDROA-WHXUTIOJSA-N 0 1 236.363 2.452 20 0 BEADMN C[C@@H](CC(C)(C)C)N[C@H](C(N)=O)c1ccccn1 ZINC000449356888 388180790 /nfs/dbraw/zinc/18/07/90/388180790.db2.gz BEYFOHJVRYCZBX-JQWIXIFHSA-N 0 1 249.358 2.022 20 0 BEADMN FCC(CF)N[C@H]1CCc2ccccc2C1 ZINC000449380578 388188577 /nfs/dbraw/zinc/18/85/77/388188577.db2.gz NYNIJWOJTFWCRC-LBPRGKRZSA-N 0 1 225.282 2.441 20 0 BEADMN CC[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(F)F ZINC000449365037 388183348 /nfs/dbraw/zinc/18/33/48/388183348.db2.gz UWXAAKHJTCQGAH-AEJSXWLSSA-N 0 1 221.291 2.435 20 0 BEADMN CCO[C@H]1CCCN(Cc2conc2CC)C1 ZINC000646046169 388131918 /nfs/dbraw/zinc/13/19/18/388131918.db2.gz CJDIJIUVPJKGSR-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN COc1nccnc1CN(C(C)C)C1CCC1 ZINC000449024934 388132112 /nfs/dbraw/zinc/13/21/12/388132112.db2.gz AJADOBXOPSIJQG-UHFFFAOYSA-N 0 1 235.331 2.248 20 0 BEADMN COc1cc(F)cc(CN2CC[C@H](OC)C2)c1 ZINC000449025122 388132274 /nfs/dbraw/zinc/13/22/74/388132274.db2.gz APTCOXPWQCQXGZ-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CC(C)NC(=O)CNCc1cccc2ccoc21 ZINC000449058431 388136566 /nfs/dbraw/zinc/13/65/66/388136566.db2.gz JAPXULLFZHSSOX-UHFFFAOYSA-N 0 1 246.310 2.047 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)CC1CCC1 ZINC000449122495 388145193 /nfs/dbraw/zinc/14/51/93/388145193.db2.gz LQMHZEZWMDPRTP-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN CCC[C@@](C)(CO)NCc1ncc(C)s1 ZINC000449143279 388148417 /nfs/dbraw/zinc/14/84/17/388148417.db2.gz PWXHKQUSDHWMQD-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN CC[C@@H](C)[C@](C)(O)CNCc1ncc(C)s1 ZINC000449144347 388148602 /nfs/dbraw/zinc/14/86/02/388148602.db2.gz ZLHQIRXSCULOPB-BXKDBHETSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H]2C2CCC2)n1C ZINC000646138529 388153690 /nfs/dbraw/zinc/15/36/90/388153690.db2.gz LDBTXPMTMRGIRO-CYBMUJFWSA-N 0 1 248.374 2.278 20 0 BEADMN Cc1nnc(CN2CCCC[C@H]2C2CCC2)[nH]1 ZINC000646139956 388154559 /nfs/dbraw/zinc/15/45/59/388154559.db2.gz JSASORISNXQIDB-LBPRGKRZSA-N 0 1 234.347 2.268 20 0 BEADMN CC(C)CCN1CCN(CC(C)C)C(=O)[C@H]1C ZINC000488580891 388189282 /nfs/dbraw/zinc/18/92/82/388189282.db2.gz LHZHBQLMIOGFTN-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CCOC(=O)[C@H](CC)N(C[C@H]1C[C@@H]1C)C1CC1 ZINC000488587155 388189923 /nfs/dbraw/zinc/18/99/23/388189923.db2.gz XUCZECYWXQVBSC-LOWVWBTDSA-N 0 1 239.359 2.449 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000312955416 256531217 /nfs/dbraw/zinc/53/12/17/256531217.db2.gz NMPSWRHOFCMLNF-MNOVXSKESA-N 0 1 225.332 2.203 20 0 BEADMN CCCCC(=O)N1CCN(CC)C[C@@H]1CC ZINC000456362568 388197987 /nfs/dbraw/zinc/19/79/87/388197987.db2.gz WVPSPHFRDIDWGJ-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC(=O)NC1CCC(N[C@H](C)C(C)(F)F)CC1 ZINC000449413522 388198258 /nfs/dbraw/zinc/19/82/58/388198258.db2.gz JGDGNAYKXYSEPK-MFAVDMRSSA-N 0 1 248.317 2.067 20 0 BEADMN FC(F)Cn1cc(C[N@H+]2CC[C@H]2C2CC2)cn1 ZINC000449424067 388201663 /nfs/dbraw/zinc/20/16/63/388201663.db2.gz CGHSOHWZNFFTTI-NSHDSACASA-N 0 1 241.285 2.133 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000456523634 388206011 /nfs/dbraw/zinc/20/60/11/388206011.db2.gz FKUUFXNYGCMWSK-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)CC2(C)CC2)CC1 ZINC000456539712 388207311 /nfs/dbraw/zinc/20/73/11/388207311.db2.gz YTSICYMRWKCEGX-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489340969 388208059 /nfs/dbraw/zinc/20/80/59/388208059.db2.gz QXVKMNMBAIFPGV-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(CC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489328380 388208448 /nfs/dbraw/zinc/20/84/48/388208448.db2.gz ZMXAFOPYQVMINO-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC[C@@H]1CCCN1C(=O)CN(C)C ZINC000489349440 388208954 /nfs/dbraw/zinc/20/89/54/388208954.db2.gz NVZMAQKVLQPUAF-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489362938 388209274 /nfs/dbraw/zinc/20/92/74/388209274.db2.gz ZCIBPNYRZUFASC-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](NCC12CCC(CC1)C2)c1ncn(C)n1 ZINC000450814706 388259247 /nfs/dbraw/zinc/25/92/47/388259247.db2.gz ZISCHUKXUBJDQV-ZBOXLXRLSA-N 0 1 234.347 2.046 20 0 BEADMN COc1cc(C)c(CN[C@H](C)CF)c(C)n1 ZINC000336662187 388259237 /nfs/dbraw/zinc/25/92/37/388259237.db2.gz DBSIFUBIGQVURC-SECBINFHSA-N 0 1 226.295 2.155 20 0 BEADMN CN(CC(=O)NCc1ccccc1)[C@@H]1CC1(C)C ZINC000489467732 388216096 /nfs/dbraw/zinc/21/60/96/388216096.db2.gz GEVJTKPZNRAJFD-CYBMUJFWSA-N 0 1 246.354 2.033 20 0 BEADMN CCO[C@@H]1CCN(Cc2cncs2)C[C@H]1C ZINC000449489725 388218277 /nfs/dbraw/zinc/21/82/77/388218277.db2.gz AUAKGKYKVANNHH-ZYHUDNBSSA-N 0 1 240.372 2.390 20 0 BEADMN CO[C@H]1CCN(Cc2cnc(C)nc2)CC1(C)C ZINC000449495265 388219148 /nfs/dbraw/zinc/21/91/48/388219148.db2.gz CWJUGBLTSUVAQV-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)C[C@@H](C)O)cs1 ZINC000164602899 388241325 /nfs/dbraw/zinc/24/13/25/388241325.db2.gz TZEVAELIPKDADB-HLTSFMKQSA-N 0 1 228.361 2.262 20 0 BEADMN CCCc1ncc(CN[C@H](C)COCC)o1 ZINC000449609498 388242146 /nfs/dbraw/zinc/24/21/46/388242146.db2.gz BXFCQJIRGVZRGT-SNVBAGLBSA-N 0 1 226.320 2.142 20 0 BEADMN Cc1cc(CNC[C@](C)(O)CCC(C)C)no1 ZINC000459449676 388244656 /nfs/dbraw/zinc/24/46/56/388244656.db2.gz UNLYMSHURYCXLA-CYBMUJFWSA-N 0 1 240.347 2.260 20 0 BEADMN CC[C@@H](C)[NH+]1CCN(CC2(SC)CC2)CC1 ZINC000449625798 388245516 /nfs/dbraw/zinc/24/55/16/388245516.db2.gz CDFOQYPFXCVWOT-GFCCVEGCSA-N 0 1 242.432 2.298 20 0 BEADMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2)C12CCC2 ZINC000449630785 388246417 /nfs/dbraw/zinc/24/64/17/388246417.db2.gz JCFPVLDNHVPLDZ-KGLIPLIRSA-N 0 1 246.354 2.471 20 0 BEADMN CO[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2)C12CCC2 ZINC000449630784 388246472 /nfs/dbraw/zinc/24/64/72/388246472.db2.gz JCFPVLDNHVPLDZ-KBPBESRZSA-N 0 1 246.354 2.471 20 0 BEADMN C[C@@H](CN1CC(=O)N[C@H](C)C1)C1CCCCC1 ZINC000451643448 388287260 /nfs/dbraw/zinc/28/72/60/388287260.db2.gz UBPUUAYTIPCWNN-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1noc(C)c1CN1CCC[C@@H](OC)C1 ZINC000163455034 388294073 /nfs/dbraw/zinc/29/40/73/388294073.db2.gz HDZALQGXQJWKJY-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CC[C@@H](C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000181137864 256587849 /nfs/dbraw/zinc/58/78/49/256587849.db2.gz DHOKIERRQWBJPK-ZJUUUORDSA-N 0 1 238.297 2.353 20 0 BEADMN CC(C)N1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000491866343 388325303 /nfs/dbraw/zinc/32/53/03/388325303.db2.gz HZYXPTFKSYJCAH-VOTSOKGWSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1nnc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000451356116 388263882 /nfs/dbraw/zinc/26/38/82/388263882.db2.gz DNBSYDFZCLTAQI-UHXUPSOCSA-N 0 1 245.326 2.022 20 0 BEADMN C[C@@H]1CC[C@H](CN(C)Cc2ccccn2)O1 ZINC000451364231 388265194 /nfs/dbraw/zinc/26/51/94/388265194.db2.gz CVAYJXXQUUQBPE-DGCLKSJQSA-N 0 1 220.316 2.081 20 0 BEADMN Cc1noc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)n1 ZINC000451366743 388265673 /nfs/dbraw/zinc/26/56/73/388265673.db2.gz IVVLWMNSHMIBJT-UHXUPSOCSA-N 0 1 245.326 2.022 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC(CF)CC1 ZINC000451395652 388269056 /nfs/dbraw/zinc/26/90/56/388269056.db2.gz RFBAZLTWMRLQRU-GFCCVEGCSA-N 0 1 245.338 2.256 20 0 BEADMN COc1cc(CN2CCC(CF)CC2)ccn1 ZINC000451397019 388269629 /nfs/dbraw/zinc/26/96/29/388269629.db2.gz UDTNRBOXVOQSDJ-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN CC=C(C=CC(=O)Nc1n[nH]c(CC)n1)CC ZINC000492381770 388343025 /nfs/dbraw/zinc/34/30/25/388343025.db2.gz UTVYDUVAIZOSNB-TZRLODCYSA-N 0 1 234.303 2.218 20 0 BEADMN CC=C(C=CC(=O)Nc1nc(CC)n[nH]1)CC ZINC000492381770 388343026 /nfs/dbraw/zinc/34/30/26/388343026.db2.gz UTVYDUVAIZOSNB-TZRLODCYSA-N 0 1 234.303 2.218 20 0 BEADMN CCNCc1cn(C[C@H](C)CC(C)C)nn1 ZINC000300899158 388348334 /nfs/dbraw/zinc/34/83/34/388348334.db2.gz KTIDQFDITSBXLC-LLVKDONJSA-N 0 1 224.352 2.070 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC(=O)N(C)C ZINC000193426854 388349510 /nfs/dbraw/zinc/34/95/10/388349510.db2.gz JPNBOALXQDAAHC-LBPRGKRZSA-N 0 1 234.343 2.076 20 0 BEADMN CC[C@@H](NC1CC(F)(F)C1)c1nccn1C ZINC000277042794 388352142 /nfs/dbraw/zinc/35/21/42/388352142.db2.gz GHHDPBZZMSTBEH-SECBINFHSA-N 0 1 229.274 2.259 20 0 BEADMN CC[C@H](NC1CC(F)(F)C1)c1nccn1C ZINC000277042796 388352151 /nfs/dbraw/zinc/35/21/51/388352151.db2.gz GHHDPBZZMSTBEH-VIFPVBQESA-N 0 1 229.274 2.259 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)CC1CC1 ZINC000234280475 388354215 /nfs/dbraw/zinc/35/42/15/388354215.db2.gz UGUYWFMFFVYIPW-UHFFFAOYSA-N 0 1 237.274 2.366 20 0 BEADMN CC1(C)CN(Cc2ccnc(N)c2)CC(C)(C)O1 ZINC000278326862 388354721 /nfs/dbraw/zinc/35/47/21/388354721.db2.gz AVSWNUDJKBFUCW-UHFFFAOYSA-N 0 1 249.358 2.053 20 0 BEADMN COc1nccc(CNCc2ccccc2C)n1 ZINC000294831428 388404817 /nfs/dbraw/zinc/40/48/17/388404817.db2.gz SJIOJHZVRFENNL-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN Cc1csc(C(=O)NCc2cn[nH]c2C)c1 ZINC000293645634 388356221 /nfs/dbraw/zinc/35/62/21/388356221.db2.gz HSYZWTDQOFWHSY-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN COC[C@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000234828677 388360561 /nfs/dbraw/zinc/36/05/61/388360561.db2.gz BPWUEDABRBNFND-CBAPKCEASA-N 0 1 249.763 2.059 20 0 BEADMN C[C@H]1C[C@@H](NCCOC(C)(C)C)c2nccn21 ZINC000308688575 388363574 /nfs/dbraw/zinc/36/35/74/388363574.db2.gz DQYSYQRXWPPXQP-WDEREUQCSA-N 0 1 237.347 2.294 20 0 BEADMN C[C@H](C(=O)NCC(C)(F)F)N1[C@H](C)CC[C@@H]1C ZINC000516593859 388367219 /nfs/dbraw/zinc/36/72/19/388367219.db2.gz IEYNDQFKNDHVQQ-KXUCPTDWSA-N 0 1 248.317 2.019 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2O)C1 ZINC000235635281 388372608 /nfs/dbraw/zinc/37/26/08/388372608.db2.gz MDRWTWUVBINJNR-WPRPVWTQSA-N 0 1 237.274 2.450 20 0 BEADMN CN(CCC(F)(F)F)Cc1ncccc1O ZINC000572763781 388374399 /nfs/dbraw/zinc/37/43/99/388374399.db2.gz ZEVTWTIDMMQNCJ-UHFFFAOYSA-N 0 1 234.221 2.171 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1cscn1 ZINC000290212955 388375592 /nfs/dbraw/zinc/37/55/92/388375592.db2.gz QBACFZSHFHMWFA-IWSPIJDZSA-N 0 1 214.334 2.217 20 0 BEADMN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCC1 ZINC000010495328 388380331 /nfs/dbraw/zinc/38/03/31/388380331.db2.gz URFQCLYNCBYQAK-GFCCVEGCSA-N 0 1 244.338 2.060 20 0 BEADMN C[C@@H](C[N@@H+](C1CC1)[C@H]1C=CCCC1)C(=O)[O-] ZINC000572890750 388384058 /nfs/dbraw/zinc/38/40/58/388384058.db2.gz JTJWSAJAWSSSCC-QWRGUYRKSA-N 0 1 223.316 2.280 20 0 BEADMN Cc1csc(CN[C@H]2CCOC2(C)C)n1 ZINC000293574459 388390834 /nfs/dbraw/zinc/39/08/34/388390834.db2.gz DQJARVLZLOGFGC-VIFPVBQESA-N 0 1 226.345 2.109 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cscn1)C1CC1 ZINC000293715132 388391004 /nfs/dbraw/zinc/39/10/04/388391004.db2.gz NAVUARQYLWQCNR-GZMMTYOYSA-N 0 1 226.345 2.219 20 0 BEADMN Cn1cncc1CNCc1cc2ccccc2o1 ZINC000237936117 388399771 /nfs/dbraw/zinc/39/97/71/388399771.db2.gz QITAEOUPKBONRN-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CSC[C@@H](O)CNc1ccc2cnccc2c1 ZINC000515054637 256730782 /nfs/dbraw/zinc/73/07/82/256730782.db2.gz DZDYHRWPLLXGGH-ZDUSSCGKSA-N 0 1 248.351 2.371 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@@H]1CC13CCCC3)CC2 ZINC000334590305 388445953 /nfs/dbraw/zinc/44/59/53/388445953.db2.gz CDWPSZWDDDUTBI-WDEREUQCSA-N 0 1 217.316 2.250 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@H]1CC13CCCC3)CC2 ZINC000334590301 388446333 /nfs/dbraw/zinc/44/63/33/388446333.db2.gz CDWPSZWDDDUTBI-QWRGUYRKSA-N 0 1 217.316 2.250 20 0 BEADMN C/C(Cl)=C/CN1CCCO[C@H](C)C1 ZINC000528366380 388451018 /nfs/dbraw/zinc/45/10/18/388451018.db2.gz FLKMFYCBBNUBGV-ZUYFITGHSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1cnc(CN[C@H]2COC(C)(C)C2)s1 ZINC000335658534 388452642 /nfs/dbraw/zinc/45/26/42/388452642.db2.gz ZUVSCGAPJFFYIN-SECBINFHSA-N 0 1 226.345 2.109 20 0 BEADMN Cn1cc(Cl)c(CNC2CCCCC2)n1 ZINC000335618172 388453173 /nfs/dbraw/zinc/45/31/73/388453173.db2.gz OCFOWWIVKAGPAH-UHFFFAOYSA-N 0 1 227.739 2.496 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000525999929 388453772 /nfs/dbraw/zinc/45/37/72/388453772.db2.gz QPQJBIJGFCHMMN-XQQFMLRXSA-N 0 1 239.359 2.472 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000525999927 388454311 /nfs/dbraw/zinc/45/43/11/388454311.db2.gz QPQJBIJGFCHMMN-JHJVBQTASA-N 0 1 239.359 2.472 20 0 BEADMN COC[C@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276643 388475922 /nfs/dbraw/zinc/47/59/22/388475922.db2.gz VJBPLFBGJAKUSB-QMMMGPOBSA-N 0 1 228.361 2.311 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)C1CC1 ZINC000134318333 388476195 /nfs/dbraw/zinc/47/61/95/388476195.db2.gz TXYCLCVOYQQISA-ZETCQYMHSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)C1CC1 ZINC000134318333 388476198 /nfs/dbraw/zinc/47/61/98/388476198.db2.gz TXYCLCVOYQQISA-ZETCQYMHSA-N 0 1 202.261 2.168 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cn1 ZINC000405554991 388478933 /nfs/dbraw/zinc/47/89/33/388478933.db2.gz PWJXFBHLRSPWSR-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN CCC[C@H](C(=O)OCC)N1[C@H](C)C[C@@H]1C ZINC000548426255 388537255 /nfs/dbraw/zinc/53/72/55/388537255.db2.gz FUQBSIACIYFZJI-OUAUKWLOSA-N 0 1 213.321 2.201 20 0 BEADMN C/C(Cl)=C\CN1CC[C@@H](c2nc(C)no2)C1 ZINC000528505709 388537566 /nfs/dbraw/zinc/53/75/66/388537566.db2.gz YRJGBMYNQPEKOI-SIUBYYJGSA-N 0 1 241.722 2.310 20 0 BEADMN C/C(Cl)=C\CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000528515982 388540175 /nfs/dbraw/zinc/54/01/75/388540175.db2.gz IGNZQKAHGODICY-NAZIUFLLSA-N 0 1 240.738 2.474 20 0 BEADMN C/C(Cl)=C/C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000528523533 388542236 /nfs/dbraw/zinc/54/22/36/388542236.db2.gz AUVKKSQDPBRVAM-FVDOGNOPSA-N 0 1 217.740 2.079 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ncccc1Cl ZINC000528544215 388545700 /nfs/dbraw/zinc/54/57/00/388545700.db2.gz BJIDAWMKHYHMFX-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN CC[C@@H]1COC[C@@H]1NCc1ncccc1Cl ZINC000528548339 388545798 /nfs/dbraw/zinc/54/57/98/388545798.db2.gz BQBRULDGWRTLCG-SKDRFNHKSA-N 0 1 240.734 2.250 20 0 BEADMN C[N@H+](Cc1cnc[nH]1)CC1CC(C)(C)C1 ZINC000528545549 388546216 /nfs/dbraw/zinc/54/62/16/388546216.db2.gz NECLOPNHDNLEKX-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)OC(C)(C)C ZINC000136757136 388548198 /nfs/dbraw/zinc/54/81/98/388548198.db2.gz AYCHJAWUOBURIF-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN Cc1nocc1CNC[C@@H](C)C(F)(F)F ZINC000339361280 388482865 /nfs/dbraw/zinc/48/28/65/388482865.db2.gz ONWCHVPPNKKMTF-ZCFIWIBFSA-N 0 1 222.210 2.271 20 0 BEADMN CC(C)n1nccc1CN[C@H]1CCC[C@H]1F ZINC000339588428 388485974 /nfs/dbraw/zinc/48/59/74/388485974.db2.gz XOQNRZZEXLLHBA-NEPJUHHUSA-N 0 1 225.311 2.444 20 0 BEADMN C[C@@H](NCc1c[nH]nn1)c1cc2ccccc2o1 ZINC000340245800 388488411 /nfs/dbraw/zinc/48/84/11/388488411.db2.gz RLEHVFOFBAFYRW-SECBINFHSA-N 0 1 242.282 2.402 20 0 BEADMN CCN(C(=O)c1cc(C(C)C)[nH]n1)C(C)C ZINC000194416479 388490645 /nfs/dbraw/zinc/49/06/45/388490645.db2.gz XNCVNLIWYPYKHL-UHFFFAOYSA-N 0 1 223.320 2.404 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C1CCCC1 ZINC000547837044 388491689 /nfs/dbraw/zinc/49/16/89/388491689.db2.gz XJIJBEWEEBYYCQ-JQWIXIFHSA-N 0 1 225.332 2.203 20 0 BEADMN CCn1ccnc1CN1CCC[C@H]1CSC ZINC000135443030 388496368 /nfs/dbraw/zinc/49/63/68/388496368.db2.gz BJDZCVRPFNRERO-NSHDSACASA-N 0 1 239.388 2.230 20 0 BEADMN CCCCN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178251381 388497073 /nfs/dbraw/zinc/49/70/73/388497073.db2.gz FCXRUJOPGHCTEB-JTQLQIEISA-N 0 1 238.297 2.355 20 0 BEADMN CC[C@@H](NCC(F)(F)CO)[C@@H]1CC1(C)C ZINC000397771709 388497990 /nfs/dbraw/zinc/49/79/90/388497990.db2.gz VAMNKYFOYDIQPL-DTWKUNHWSA-N 0 1 221.291 2.028 20 0 BEADMN Cn1nncc1CN[C@@H](c1cccs1)C1CC1 ZINC000343072624 388499181 /nfs/dbraw/zinc/49/91/81/388499181.db2.gz QLEPSPFQJMQGKD-GFCCVEGCSA-N 0 1 248.355 2.118 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)CS1 ZINC000397790647 388499792 /nfs/dbraw/zinc/49/97/92/388499792.db2.gz HVTVWNDCZCGOBH-CHWFTXMASA-N 0 1 237.372 2.373 20 0 BEADMN CCC[C@@H](CNCc1ccn(C(C)C)n1)OC ZINC000378762946 388501520 /nfs/dbraw/zinc/50/15/20/388501520.db2.gz WRJDDYHBGNJKSG-ZDUSSCGKSA-N 0 1 239.363 2.369 20 0 BEADMN Fc1cccc(F)c1CNCC1=CCOCC1 ZINC000397826036 388502867 /nfs/dbraw/zinc/50/28/67/388502867.db2.gz JCHPILIGQNOCOO-UHFFFAOYSA-N 0 1 239.265 2.401 20 0 BEADMN CO[C@@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528373919 388503563 /nfs/dbraw/zinc/50/35/63/388503563.db2.gz SWLWBDPGABYWPU-NAZIUFLLSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000648928782 388503634 /nfs/dbraw/zinc/50/36/34/388503634.db2.gz JDNAGGNBIFPGJX-LLVKDONJSA-N 0 1 237.347 2.407 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@](C)(CC)C1 ZINC000344240352 388505030 /nfs/dbraw/zinc/50/50/30/388505030.db2.gz CSWTUMXGDDJBHE-JQWIXIFHSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc2cc[nH]c21)N(C)C ZINC000548147057 388516901 /nfs/dbraw/zinc/51/69/01/388516901.db2.gz CCZMYTMGNNCKQP-LBPRGKRZSA-N 0 1 245.326 2.447 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000517042101 256812558 /nfs/dbraw/zinc/81/25/58/256812558.db2.gz LUMLJKMISIZAAQ-OJIASSBASA-N 0 1 233.311 2.495 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc(C)c(C)s1 ZINC000087375861 388519333 /nfs/dbraw/zinc/51/93/33/388519333.db2.gz FEFXFTRTEIKUNL-GHMZBOCLSA-N 0 1 240.372 2.417 20 0 BEADMN COC[C@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528386488 388519551 /nfs/dbraw/zinc/51/95/51/388519551.db2.gz IZZIPCRBOPMWQX-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN COCCO[C@@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528420739 388519689 /nfs/dbraw/zinc/51/96/89/388519689.db2.gz BBWIHVMKCDRARY-DKRCXCIFSA-N 0 1 247.766 2.256 20 0 BEADMN CC(C)n1nccc1CN[C@H]1C[C@@H]1C(F)F ZINC000348121223 388525525 /nfs/dbraw/zinc/52/55/25/388525525.db2.gz SSECRRWXHOYSSR-UWVGGRQHSA-N 0 1 229.274 2.207 20 0 BEADMN O=C1[C@@H](N2CC=CCC2)CCN1C1CCCCC1 ZINC000528442083 388526721 /nfs/dbraw/zinc/52/67/21/388526721.db2.gz XFZLNLVWYKKGJW-AWEZNQCLSA-N 0 1 248.370 2.182 20 0 BEADMN Cc1cnccc1CNC(C)(C)c1cnn(C)c1 ZINC000528451119 388527906 /nfs/dbraw/zinc/52/79/06/388527906.db2.gz OUVAJMUQAZTGNW-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN C/C(Cl)=C\CN[C@@H](C)c1cnn(C)c1 ZINC000528449614 388528044 /nfs/dbraw/zinc/52/80/44/388528044.db2.gz OVXDMJRPGKQVNP-SGDMMICCSA-N 0 1 213.712 2.213 20 0 BEADMN C/C(Cl)=C\CNC(C)(C)c1cnn(C)c1 ZINC000528452630 388528403 /nfs/dbraw/zinc/52/84/03/388528403.db2.gz REEVAMUHPHKKBT-WEVVVXLNSA-N 0 1 227.739 2.387 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000516975860 388529978 /nfs/dbraw/zinc/52/99/78/388529978.db2.gz KYJAMHCKVVZQLA-LOWVWBTDSA-N 0 1 248.326 2.185 20 0 BEADMN Cc1ccccc1CNC(=O)CN1[C@H](C)C[C@H]1C ZINC000517004545 388530673 /nfs/dbraw/zinc/53/06/73/388530673.db2.gz DLPUEURDAMAPCM-CHWSQXEVSA-N 0 1 246.354 2.094 20 0 BEADMN CC[C@H](C)[C@H](CNCc1nc(C)c(C)[nH]1)OC ZINC000516981192 388531368 /nfs/dbraw/zinc/53/13/68/388531368.db2.gz GRZRXFKIDHUEOX-CABZTGNLSA-N 0 1 239.363 2.177 20 0 BEADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCC1CC1 ZINC000088491614 388531397 /nfs/dbraw/zinc/53/13/97/388531397.db2.gz NROKWKITUAYEOB-AWEZNQCLSA-N 0 1 245.322 2.298 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cc(CO)ccc1F ZINC000528485546 388534227 /nfs/dbraw/zinc/53/42/27/388534227.db2.gz RWCIDYLDWXPKNW-NXEZZACHSA-N 0 1 223.291 2.301 20 0 BEADMN C[C@H](NC(=O)CN1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000548424456 388536310 /nfs/dbraw/zinc/53/63/10/388536310.db2.gz KOSMONAAMNZRAI-XQQFMLRXSA-N 0 1 246.354 2.347 20 0 BEADMN CC1(C)CC(C[N@H+]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000530160767 388617251 /nfs/dbraw/zinc/61/72/51/388617251.db2.gz LZFKUULBCRFGCK-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000530162420 388617751 /nfs/dbraw/zinc/61/77/51/388617751.db2.gz GSNPOEQQSMMBDL-LLVKDONJSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1[C@H]1C=CCCC1 ZINC000530166124 388617793 /nfs/dbraw/zinc/61/77/93/388617793.db2.gz KHYNLFQCENQPRB-GWCFXTLKSA-N 0 1 247.294 2.372 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCCCF ZINC000530164999 388617822 /nfs/dbraw/zinc/61/78/22/388617822.db2.gz CTBBMJUZWXSLHT-NSHDSACASA-N 0 1 241.262 2.013 20 0 BEADMN CC[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530029012 388605373 /nfs/dbraw/zinc/60/53/73/388605373.db2.gz LMRLPBONSZKZJQ-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530029014 388605505 /nfs/dbraw/zinc/60/55/05/388605505.db2.gz LMRLPBONSZKZJQ-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000082321182 388613511 /nfs/dbraw/zinc/61/35/11/388613511.db2.gz JIPFHTPGBJEIOF-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN CCOC[C@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000528719397 388560231 /nfs/dbraw/zinc/56/02/31/388560231.db2.gz MVWBETRJLMYIEX-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN CCC[C@H](C(=O)OCC)N(CC)C[C@@H](C)OC ZINC000361559970 388560506 /nfs/dbraw/zinc/56/05/06/388560506.db2.gz YTTBZCFOVPUORS-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1cccs1 ZINC000261537134 388561967 /nfs/dbraw/zinc/56/19/67/388561967.db2.gz UYOXRVDPQBWPGL-BDAKNGLRSA-N 0 1 225.313 2.358 20 0 BEADMN CCOC[C@@H]1CN(CC2=CCCCC2)CCO1 ZINC000528733773 388564000 /nfs/dbraw/zinc/56/40/00/388564000.db2.gz WQVSCWRWNFGCFU-AWEZNQCLSA-N 0 1 239.359 2.224 20 0 BEADMN CC[C@@H](F)CN1CCc2nc(C3CC3)ncc2C1 ZINC000528741837 388565043 /nfs/dbraw/zinc/56/50/43/388565043.db2.gz OQJWIUISCQCAEY-GFCCVEGCSA-N 0 1 249.333 2.460 20 0 BEADMN CCN(CC(=O)NC1CC1)Cc1ccc(C)cc1 ZINC000521221651 388566046 /nfs/dbraw/zinc/56/60/46/388566046.db2.gz QCRNJJMOYLOYJS-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ncccc1F ZINC000528823669 388576986 /nfs/dbraw/zinc/57/69/86/388576986.db2.gz MRLQRBIEYXHOHH-VWYCJHECSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1cocc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000528846668 388578201 /nfs/dbraw/zinc/57/82/01/388578201.db2.gz RLWQGOGZMSVXMM-NSHDSACASA-N 0 1 245.282 2.119 20 0 BEADMN Cc1ncsc1CN1CC[C@H](OC(F)F)C1 ZINC000549449483 388579938 /nfs/dbraw/zinc/57/99/38/388579938.db2.gz QLVUZASAFOZHLB-QMMMGPOBSA-N 0 1 248.298 2.265 20 0 BEADMN CC(C)CONC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528880250 388580179 /nfs/dbraw/zinc/58/01/79/388580179.db2.gz LQGUEJVSZIZGQL-JTQLQIEISA-N 0 1 243.347 2.284 20 0 BEADMN CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CC)CC1 ZINC000245440217 388580743 /nfs/dbraw/zinc/58/07/43/388580743.db2.gz GIEZGLRYYBPSHL-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@@H]2CCCC[C@@H]12 ZINC000521073497 256835413 /nfs/dbraw/zinc/83/54/13/256835413.db2.gz WQFKUHPEOKNAIE-NTZNESFSSA-N 0 1 247.342 2.451 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000247471487 388665630 /nfs/dbraw/zinc/66/56/30/388665630.db2.gz JHMTUEASLKVEPR-WDEREUQCSA-N 0 1 235.331 2.397 20 0 BEADMN c1coc(CNc2ccc3nn[nH]c3c2)c1 ZINC000125147502 388669060 /nfs/dbraw/zinc/66/90/60/388669060.db2.gz SSDVUQJDGCCNBG-UHFFFAOYSA-N 0 1 214.228 2.163 20 0 BEADMN c1coc(CNc2ccc3n[nH]nc3c2)c1 ZINC000125147502 388669063 /nfs/dbraw/zinc/66/90/63/388669063.db2.gz SSDVUQJDGCCNBG-UHFFFAOYSA-N 0 1 214.228 2.163 20 0 BEADMN CS[C@H]1CCCCN(Cc2ncccn2)C1 ZINC000192120847 388675078 /nfs/dbraw/zinc/67/50/78/388675078.db2.gz ZUGDOIFLRXZPSN-NSHDSACASA-N 0 1 237.372 2.194 20 0 BEADMN CCOC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248410941 388678774 /nfs/dbraw/zinc/67/87/74/388678774.db2.gz DLGDLEOFJHEVJR-SRVKXCTJSA-N 0 1 225.332 2.060 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000225344253 388678782 /nfs/dbraw/zinc/67/87/82/388678782.db2.gz IHCHPDPFPPXLMY-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](NC(=O)C[N@@H+](C)C1CC1)c1cccs1 ZINC000192648943 388681501 /nfs/dbraw/zinc/68/15/01/388681501.db2.gz XNDGAGDVEPFTRG-VIFPVBQESA-N 0 1 238.356 2.020 20 0 BEADMN C[C@H](NC(=O)CN(C)C1CC1)c1cccs1 ZINC000192648943 388681504 /nfs/dbraw/zinc/68/15/04/388681504.db2.gz XNDGAGDVEPFTRG-VIFPVBQESA-N 0 1 238.356 2.020 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CC1CCC1 ZINC000530167117 388618705 /nfs/dbraw/zinc/61/87/05/388618705.db2.gz UFSFHXURQCNNRZ-GFCCVEGCSA-N 0 1 235.283 2.064 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@@H]2CC(=O)[O-])C1 ZINC000530167570 388619086 /nfs/dbraw/zinc/61/90/86/388619086.db2.gz ZWCVPZFXHPOHRI-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ncncc1[C@H](C)NCc1cccc(O)c1 ZINC000521643780 388621728 /nfs/dbraw/zinc/62/17/28/388621728.db2.gz OPOBDGVAFYRIQN-JTQLQIEISA-N 0 1 243.310 2.341 20 0 BEADMN CCCC[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530180484 388622895 /nfs/dbraw/zinc/62/28/95/388622895.db2.gz ZYNLNGGQUVRLDR-JGPRNRPPSA-N 0 1 213.321 2.360 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC(C(C)C)C(C)C ZINC000551603817 388634486 /nfs/dbraw/zinc/63/44/86/388634486.db2.gz ZINUPHVYPNAWKH-LLVKDONJSA-N 0 1 229.364 2.408 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC12CCC2 ZINC000521896045 388639557 /nfs/dbraw/zinc/63/95/57/388639557.db2.gz KMLDQRMTKKFTSD-NSHDSACASA-N 0 1 247.342 2.133 20 0 BEADMN C[C@@H](N[C@H](C)c1cncs1)c1cn[nH]c1 ZINC000222519185 388639930 /nfs/dbraw/zinc/63/99/30/388639930.db2.gz DXZRMRYBTYYFBT-HTQZYQBOSA-N 0 1 222.317 2.278 20 0 BEADMN C[C@H](O)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000328373937 388641981 /nfs/dbraw/zinc/64/19/81/388641981.db2.gz XBOHHBFZDDOHEI-VIFPVBQESA-N 0 1 243.734 2.296 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000530279124 388647188 /nfs/dbraw/zinc/64/71/88/388647188.db2.gz GAGJULLMTAWGOS-MRVWCRGKSA-N 0 1 247.338 2.283 20 0 BEADMN CC[C@H](c1ccccc1)N1C[C@H](C)O[C@H](CO)C1 ZINC000190111105 388647578 /nfs/dbraw/zinc/64/75/78/388647578.db2.gz WRGFSPBAEHUWPT-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@H](C(=O)OC)N1CCCC[C@@H](SC)C1 ZINC000246982825 388655836 /nfs/dbraw/zinc/65/58/36/388655836.db2.gz VYNGZRNMXVUTKW-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN CCOCCN1CCc2ccc(OC)cc2C1 ZINC000067461725 388734069 /nfs/dbraw/zinc/73/40/69/388734069.db2.gz DIAUIVGCRPMEAG-UHFFFAOYSA-N 0 1 235.327 2.090 20 0 BEADMN C[C@H]1CCN(Cc2c(Cl)cnn2C)[C@H]1C ZINC000249956956 388735855 /nfs/dbraw/zinc/73/58/55/388735855.db2.gz VXFWBWJKUXLDIA-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1CCN(Cc2c(Cl)cnn2C)[C@H]1C ZINC000249956951 388735953 /nfs/dbraw/zinc/73/59/53/388735953.db2.gz VXFWBWJKUXLDIA-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN CCc1cc(C(=O)N(C)CCC(C)(C)C)n[nH]1 ZINC000649026676 388735939 /nfs/dbraw/zinc/73/59/39/388735939.db2.gz ABVMGQKZEDKDEF-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CCc1nnc(CN(CC)[C@H](C)C(C)C)o1 ZINC000067653812 388737251 /nfs/dbraw/zinc/73/72/51/388737251.db2.gz DXPQRFKFYOMKBP-SNVBAGLBSA-N 0 1 225.336 2.498 20 0 BEADMN CCN(Cc1nnc(C)o1)[C@H](C)C(C)C ZINC000067661009 388738145 /nfs/dbraw/zinc/73/81/45/388738145.db2.gz CPCMSHMOHUNILW-SECBINFHSA-N 0 1 211.309 2.244 20 0 BEADMN Cc1cnc([C@H](C)N2CCC(CCO)CC2)o1 ZINC000538953928 388741942 /nfs/dbraw/zinc/74/19/42/388741942.db2.gz MSLSTIFDSXUUHB-NSHDSACASA-N 0 1 238.331 2.138 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccoc2)n[nH]1 ZINC000539063363 388745935 /nfs/dbraw/zinc/74/59/35/388745935.db2.gz BPZMXGVDYRDHQB-DTWKUNHWSA-N 0 1 234.303 2.372 20 0 BEADMN CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062531 388757674 /nfs/dbraw/zinc/75/76/74/388757674.db2.gz OUNNPIMKPNATCN-KBPBESRZSA-N 0 1 246.354 2.130 20 0 BEADMN CCCN(C(=O)C1=CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000648998795 388687699 /nfs/dbraw/zinc/68/76/99/388687699.db2.gz RRRAPNAVDGMUMX-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000126104608 388688770 /nfs/dbraw/zinc/68/87/70/388688770.db2.gz YOSWCYWDRSZMJS-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1CN(CCc2ccncc2)CC(C)(C)O1 ZINC000065428157 388692295 /nfs/dbraw/zinc/69/22/95/388692295.db2.gz FTMBOZXIYIJQGE-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(CCCC2CCCC2)C[C@@H](CO)O1 ZINC000248959328 388701238 /nfs/dbraw/zinc/70/12/38/388701238.db2.gz GEMNHMJYWNUYEM-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H](NCc1ccnc(N)c1)c1cccc(O)c1 ZINC000193495443 388706570 /nfs/dbraw/zinc/70/65/70/388706570.db2.gz LFOGHFRGIQZBCT-SNVBAGLBSA-N 0 1 243.310 2.220 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCCN(C)C2=O)cc1 ZINC000538703634 388707296 /nfs/dbraw/zinc/70/72/96/388707296.db2.gz YPIGWTPJPJCDFX-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000127112525 388714711 /nfs/dbraw/zinc/71/47/11/388714711.db2.gz WWTNOOWPCBRALG-LBPRGKRZSA-N 0 1 244.342 2.351 20 0 BEADMN CC[C@H]1CCCN(Cc2cn3cccnc3n2)C1 ZINC000127112525 388714714 /nfs/dbraw/zinc/71/47/14/388714714.db2.gz WWTNOOWPCBRALG-LBPRGKRZSA-N 0 1 244.342 2.351 20 0 BEADMN COC[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127389778 388722720 /nfs/dbraw/zinc/72/27/20/388722720.db2.gz WXMDLMIRAZMNCY-DTWKUNHWSA-N 0 1 240.372 2.317 20 0 BEADMN Cc1ccc(C[N@H+](C)CC2(CC(=O)[O-])CC2)o1 ZINC000088255958 388723865 /nfs/dbraw/zinc/72/38/65/388723865.db2.gz JKBMUSHQLNJJGV-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN Cc1nnc(NC(=O)CC2(C)CCCCC2)[nH]1 ZINC000127712691 388730069 /nfs/dbraw/zinc/73/00/69/388730069.db2.gz WFKOXNUNSRXERS-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN CCCc1ccc(C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000194366681 388731090 /nfs/dbraw/zinc/73/10/90/388731090.db2.gz UQSYWMSBHVDRCT-UHFFFAOYSA-N 0 1 248.370 2.335 20 0 BEADMN CCCc1ccc(CN(CC(N)=O)C(C)C)cc1 ZINC000194366681 388731093 /nfs/dbraw/zinc/73/10/93/388731093.db2.gz UQSYWMSBHVDRCT-UHFFFAOYSA-N 0 1 248.370 2.335 20 0 BEADMN CO[C@@H](C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194432709 388732899 /nfs/dbraw/zinc/73/28/99/388732899.db2.gz NCMDOWVOUOFOMD-NSHDSACASA-N 0 1 245.326 2.201 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000226865673 388732970 /nfs/dbraw/zinc/73/29/70/388732970.db2.gz UIWOODAFCPUUIG-JQWIXIFHSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000552625429 388733360 /nfs/dbraw/zinc/73/33/60/388733360.db2.gz QYEFJROVMXYMEN-UHFFFAOYSA-N 0 1 249.285 2.390 20 0 BEADMN COCCCCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000564229879 388802039 /nfs/dbraw/zinc/80/20/39/388802039.db2.gz NDBOHAZVHIBPIY-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN COc1cc(CN[C@H](C)CF)ccc1C ZINC000288512985 388758475 /nfs/dbraw/zinc/75/84/75/388758475.db2.gz TUKGBLVWSOMIEY-SNVBAGLBSA-N 0 1 211.280 2.451 20 0 BEADMN CCc1nc(CN[C@H]2CC[C@H](O)CC2)cs1 ZINC000252704867 388771587 /nfs/dbraw/zinc/77/15/87/388771587.db2.gz OOGHNKBWBZWJMF-HOMQSWHASA-N 0 1 240.372 2.099 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1cccc2nccn21 ZINC000553521472 388780846 /nfs/dbraw/zinc/78/08/46/388780846.db2.gz BTPBMTPAQOQHAI-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN CC1(NC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000553535145 388781757 /nfs/dbraw/zinc/78/17/57/388781757.db2.gz WIENTXDEWAUKOZ-UHFFFAOYSA-N 0 1 247.273 2.374 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cccnn1 ZINC000553583360 388782824 /nfs/dbraw/zinc/78/28/24/388782824.db2.gz RULGZAIIQHZMNB-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN C[C@H](CF)NCc1cnc2ccc(Cl)cn12 ZINC000288539532 388786879 /nfs/dbraw/zinc/78/68/79/388786879.db2.gz WMIHJTYRZXJDQA-MRVPVSSYSA-N 0 1 241.697 2.435 20 0 BEADMN Cc1csc(CN[C@]2(C)CCO[C@H]2C)n1 ZINC000230155086 388817764 /nfs/dbraw/zinc/81/77/64/388817764.db2.gz CWXRHAXNGXMAIN-GXSJLCMTSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1csc(CN[C@@]2(C)CCO[C@@H]2C)n1 ZINC000230155068 388817803 /nfs/dbraw/zinc/81/78/03/388817803.db2.gz CWXRHAXNGXMAIN-KOLCDFICSA-N 0 1 226.345 2.109 20 0 BEADMN CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000093351114 388836840 /nfs/dbraw/zinc/83/68/40/388836840.db2.gz PDZGLSSHDPHVRO-UHFFFAOYSA-N 0 1 240.213 2.252 20 0 BEADMN C[C@@H](O)CCN(C)Cc1cnc(C2CC2)s1 ZINC000093481848 388840649 /nfs/dbraw/zinc/84/06/49/388840649.db2.gz YZVCAHRSMGYXEV-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN CCCCN(C)[C@@H](C)C(=O)OC(C)C ZINC000129871105 388873181 /nfs/dbraw/zinc/87/31/81/388873181.db2.gz IKJMXPAMZLXAAC-JTQLQIEISA-N 0 1 201.310 2.058 20 0 BEADMN CCc1cccnc1[C@@H](C)NC1(COC)CC1 ZINC000541882406 388872328 /nfs/dbraw/zinc/87/23/28/388872328.db2.gz ODRGRBQMOYMTDE-LLVKDONJSA-N 0 1 234.343 2.474 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC000564661668 388882890 /nfs/dbraw/zinc/88/28/90/388882890.db2.gz SKTFZBKATVVKTP-LBPRGKRZSA-N 0 1 236.315 2.013 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000564464828 388876387 /nfs/dbraw/zinc/87/63/87/388876387.db2.gz ZMZUSNDTCMRDAO-JTNHKYCSSA-N 0 1 248.326 2.185 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1nccs1 ZINC000565048311 388911249 /nfs/dbraw/zinc/91/12/49/388911249.db2.gz LICSBAHSAPKSTH-NXEZZACHSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1ccncc1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000565110192 388916321 /nfs/dbraw/zinc/91/63/21/388916321.db2.gz BPECBFLFKTUKRS-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccnc([C@H]2CCN(Cc3ccno3)C2)c1 ZINC000565170327 388920530 /nfs/dbraw/zinc/92/05/30/388920530.db2.gz FGWRNRXKNPOSAA-LBPRGKRZSA-N 0 1 243.310 2.368 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000565191920 388924780 /nfs/dbraw/zinc/92/47/80/388924780.db2.gz LNALSHXVVRKKPE-NTZNESFSSA-N 0 1 249.358 2.378 20 0 BEADMN CCSCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000565249282 388932088 /nfs/dbraw/zinc/93/20/88/388932088.db2.gz DPVWWFQJUHQNGJ-UHFFFAOYSA-N 0 1 243.372 2.211 20 0 BEADMN CC[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000565256008 388933126 /nfs/dbraw/zinc/93/31/26/388933126.db2.gz WGIWVQYOMJZEBR-RYUDHWBXSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](F)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000565672686 388961075 /nfs/dbraw/zinc/96/10/75/388961075.db2.gz XYQMDDXMRVDJQI-DTWKUNHWSA-N 0 1 217.284 2.062 20 0 BEADMN CC[C@@H](F)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000565672689 388961388 /nfs/dbraw/zinc/96/13/88/388961388.db2.gz XYQMDDXMRVDJQI-RKDXNWHRSA-N 0 1 217.284 2.062 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CC[C@@H](C)[C@H]2C)cc1 ZINC000262634555 388941552 /nfs/dbraw/zinc/94/15/52/388941552.db2.gz HQPDWQKBSJTQRP-BZPMIXESSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1nnc(CNC2CC3(CCC3)C2)s1 ZINC000565407982 388942047 /nfs/dbraw/zinc/94/20/47/388942047.db2.gz UHLOWRONDFCMEC-UHFFFAOYSA-N 0 1 223.345 2.269 20 0 BEADMN Cc1cccc(CCN2CCC[C@@H]2CF)n1 ZINC000566006805 388982278 /nfs/dbraw/zinc/98/22/78/388982278.db2.gz RPFBNYNFNBKSFT-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN COC[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000266420063 388996734 /nfs/dbraw/zinc/99/67/34/388996734.db2.gz ABNYJHGUCQCCRK-SECBINFHSA-N 0 1 240.372 2.455 20 0 BEADMN CC[C@H](NCc1ccco1)[C@H](O)C(F)(F)F ZINC000270860297 389014877 /nfs/dbraw/zinc/01/48/77/389014877.db2.gz CTVWASBNPONDDJ-IUCAKERBSA-N 0 1 237.221 2.071 20 0 BEADMN CO[C@@H](C)CCN[C@@H](C)c1cscn1 ZINC000271178331 389017050 /nfs/dbraw/zinc/01/70/50/389017050.db2.gz VJMFDOMASHCEIK-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@@]1(NCc2nccs2)CCO[C@@H]1C1CC1 ZINC000273018639 389037503 /nfs/dbraw/zinc/03/75/03/389037503.db2.gz DDNZEXGASGOFRP-VXGBXAGGSA-N 0 1 238.356 2.190 20 0 BEADMN CCO[C@H](CC)C(=O)Nc1ccc2cncn2c1 ZINC001645629542 1172680719 /nfs/dbraw/zinc/68/07/19/1172680719.db2.gz QIXCBOMXZOTSNC-GFCCVEGCSA-N 0 1 247.298 2.088 20 0 BEADMN O=C(CSC1CC1)Nc1ccc2cncn2c1 ZINC001645631951 1172680737 /nfs/dbraw/zinc/68/07/37/1172680737.db2.gz HIGQJJYGQSGNPS-UHFFFAOYSA-N 0 1 247.323 2.168 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1cnns1 ZINC000335571631 136109980 /nfs/dbraw/zinc/10/99/80/136109980.db2.gz QIRZRAGKGKEDKD-SECBINFHSA-N 0 1 211.334 2.303 20 0 BEADMN C[C@@H]1CCCCCN1Cc1cnns1 ZINC000335571631 136109981 /nfs/dbraw/zinc/10/99/81/136109981.db2.gz QIRZRAGKGKEDKD-SECBINFHSA-N 0 1 211.334 2.303 20 0 BEADMN C[C@@H](NCCF)c1ccc(C(=O)N(C)C)cc1 ZINC000494969815 533392217 /nfs/dbraw/zinc/39/22/17/533392217.db2.gz GBJIKYSZGFXMLC-SNVBAGLBSA-N 0 1 238.306 2.009 20 0 BEADMN Cc1cn[nH]c1CN1CCN(C)c2ccccc21 ZINC000284093755 132213500 /nfs/dbraw/zinc/21/35/00/132213500.db2.gz OCFSTMLNBJSKIT-UHFFFAOYSA-N 0 1 242.326 2.175 20 0 BEADMN CC(C)c1cc(N2CCN(C)[C@@H](C)[C@H]2C)ncn1 ZINC000356794629 132271824 /nfs/dbraw/zinc/27/18/24/132271824.db2.gz MXLZDCPSDZMGSX-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1nccc(N2CC[C@H](O)[C@@H](C)C2)c1Cl ZINC000309361104 132389028 /nfs/dbraw/zinc/38/90/28/132389028.db2.gz OCBDCHRXZWQHCR-KWQFWETISA-N 0 1 240.734 2.251 20 0 BEADMN c1ccc(N2CCN([C@@H]3C=CCCC3)CC2)nc1 ZINC000066472174 132390172 /nfs/dbraw/zinc/39/01/72/132390172.db2.gz JXRYIVFACPPZKO-CQSZACIVSA-N 0 1 243.354 2.312 20 0 BEADMN Cc1nccc(N2CCC[C@](C)(O)C2)c1Cl ZINC000309390808 132390197 /nfs/dbraw/zinc/39/01/97/132390197.db2.gz SFGHBKOKHZLWRU-LBPRGKRZSA-N 0 1 240.734 2.395 20 0 BEADMN Cc1nccc(N2CCC[C@@H](CO)C2)c1Cl ZINC000335557929 132445231 /nfs/dbraw/zinc/44/52/31/132445231.db2.gz WURWUGPMOYLFSU-SNVBAGLBSA-N 0 1 240.734 2.252 20 0 BEADMN CC[C@H](C)Nc1ccc(N2CCOCC2)nc1C ZINC000180046902 132447157 /nfs/dbraw/zinc/44/71/57/132447157.db2.gz FXUMBSPCCNIOGK-NSHDSACASA-N 0 1 249.358 2.437 20 0 BEADMN CCc1nnc(SC[C@@H]2CCCC[C@H]2O)[nH]1 ZINC000408404818 133483989 /nfs/dbraw/zinc/48/39/89/133483989.db2.gz ASHNAERAUMYLEE-DTWKUNHWSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCCC[C@H]2O)n1 ZINC000408404818 133483990 /nfs/dbraw/zinc/48/39/90/133483990.db2.gz ASHNAERAUMYLEE-DTWKUNHWSA-N 0 1 241.360 2.010 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCC1CCCCC1 ZINC000082718050 133505397 /nfs/dbraw/zinc/50/53/97/133505397.db2.gz PRQAXUQOEKGHKL-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN FC(F)(F)C1CCN([C@@H]2CCOC2)CC1 ZINC000335914828 133992295 /nfs/dbraw/zinc/99/22/95/133992295.db2.gz DSBLQNBWPXSFRH-SECBINFHSA-N 0 1 223.238 2.050 20 0 BEADMN OC[C@@]1(F)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000335929428 134009937 /nfs/dbraw/zinc/00/99/37/134009937.db2.gz XCLSHOQNNZXEEQ-CQSZACIVSA-N 0 1 248.301 2.074 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@](C)(F)C2)n1 ZINC000335947643 134020821 /nfs/dbraw/zinc/02/08/21/134020821.db2.gz NLRVPVXKCZFFRI-LBPRGKRZSA-N 0 1 224.279 2.030 20 0 BEADMN C1C[C@H](N2CCOC3(C2)CCCCCC3)CO1 ZINC000335969313 134029356 /nfs/dbraw/zinc/02/93/56/134029356.db2.gz JVWYOYOAUZBMHQ-ZDUSSCGKSA-N 0 1 239.359 2.201 20 0 BEADMN Cn1cncc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000335992156 134040550 /nfs/dbraw/zinc/04/05/50/134040550.db2.gz VJUPAKKSFFHHCX-GFCCVEGCSA-N 0 1 219.332 2.042 20 0 BEADMN Cc1ccncc1CN[C@H](CO)c1ccsc1 ZINC000352032699 134044921 /nfs/dbraw/zinc/04/49/21/134044921.db2.gz NOTNQJFZQONGHO-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC(C)(C)C2)o1 ZINC000336006802 134049531 /nfs/dbraw/zinc/04/95/31/134049531.db2.gz MVZYTXVJZPEHNF-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cnn(C)c1 ZINC000336055177 134065728 /nfs/dbraw/zinc/06/57/28/134065728.db2.gz PNOUGMKDNMOFCY-PSASIEDQSA-N 0 1 247.264 2.193 20 0 BEADMN Cc1ccc2c(c1)CCN(Cc1cnn(C)c1)C2 ZINC000336089598 134077923 /nfs/dbraw/zinc/07/79/23/134077923.db2.gz ARKKSPHVGNNDJV-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN CCC1(C)CCN([C@@H](C)c2nncn2C)CC1 ZINC000336147553 134103099 /nfs/dbraw/zinc/10/30/99/134103099.db2.gz MTKCYWFNSAZFGU-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN Cc1nc(N2C[C@H](C)N(C)C[C@@H]2C)sc1C ZINC000336167116 134113677 /nfs/dbraw/zinc/11/36/77/134113677.db2.gz PWJVQTJXMGRUPV-IUCAKERBSA-N 0 1 239.388 2.289 20 0 BEADMN CCC(C)(C)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336172630 134115598 /nfs/dbraw/zinc/11/55/98/134115598.db2.gz RTZCODFXHGAZIE-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cc3cccnc3o2)CCCO1 ZINC000336206371 134131989 /nfs/dbraw/zinc/13/19/89/134131989.db2.gz XYWOCEDWDAOJCM-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1CC(NC(=O)[C@@H]2CCCN2C)C[C@H](C)C1 ZINC000352284178 134134388 /nfs/dbraw/zinc/13/43/88/134134388.db2.gz NPSJHSBTEFKUDY-WZRBSPASSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](NCC1(CO)CCCC1)c1nccs1 ZINC000168567118 134226806 /nfs/dbraw/zinc/22/68/06/134226806.db2.gz UVIBRYQRWVVTDG-JTQLQIEISA-N 0 1 240.372 2.346 20 0 BEADMN C[C@H](NCc1ncc[nH]1)[C@H]1COc2ccccc21 ZINC000169105823 134249401 /nfs/dbraw/zinc/24/94/01/134249401.db2.gz IXQMMQFRXVBSDR-CMPLNLGQSA-N 0 1 243.310 2.064 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC=CCC1 ZINC000176727239 134292492 /nfs/dbraw/zinc/29/24/92/134292492.db2.gz XRKSHBOPCGEBIN-SECBINFHSA-N 0 1 242.282 2.253 20 0 BEADMN Cc1ccoc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000176723921 134292634 /nfs/dbraw/zinc/29/26/34/134292634.db2.gz WFXGPRFDUMWSDC-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@H]1CCC[C@@H](CCN(C)Cc2nnc[nH]2)C1 ZINC000177103022 134295361 /nfs/dbraw/zinc/29/53/61/134295361.db2.gz LJCBYCWYQBWUJE-RYUDHWBXSA-N 0 1 236.363 2.453 20 0 BEADMN CCN1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177666186 134300879 /nfs/dbraw/zinc/30/08/79/134300879.db2.gz UCFYTIPXEUZGGC-OAHLLOKOSA-N 0 1 248.345 2.451 20 0 BEADMN C[C@H]1CCC[C@H](CC[N@@H+](C)CC(=O)[O-])C1 ZINC000178910270 134313113 /nfs/dbraw/zinc/31/31/13/134313113.db2.gz YKYQGCRYJOQGOE-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)n1cc(CN(C)C[C@@H]2CCCO2)cn1 ZINC000179977531 134325219 /nfs/dbraw/zinc/32/52/19/134325219.db2.gz VWQFGSCAMPATSB-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN Cn1cc([C@@H](NC2CC2)c2cccc(F)c2)cn1 ZINC000179958311 134325371 /nfs/dbraw/zinc/32/53/71/134325371.db2.gz SJQJQFNNTZTFTD-AWEZNQCLSA-N 0 1 245.301 2.401 20 0 BEADMN C[C@H](c1ccco1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180413942 134326952 /nfs/dbraw/zinc/32/69/52/134326952.db2.gz AFLQTQBIJLWMFV-SECBINFHSA-N 0 1 246.314 2.468 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1nccs1 ZINC000222636507 134333886 /nfs/dbraw/zinc/33/38/86/134333886.db2.gz FYNTZEBFHKAWDJ-INTQDDNPSA-N 0 1 238.356 2.361 20 0 BEADMN CCOCCN(C)Cc1cnn(C(C)(C)C)c1 ZINC000181478488 134337091 /nfs/dbraw/zinc/33/70/91/134337091.db2.gz YJCBQTICWDVVPG-UHFFFAOYSA-N 0 1 239.363 2.106 20 0 BEADMN CCc1nnc(CN(C(C)C)C(C)C)o1 ZINC000183045059 134350774 /nfs/dbraw/zinc/35/07/74/134350774.db2.gz DDMWWLWCJUPUKS-UHFFFAOYSA-N 0 1 211.309 2.251 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)c1cnccc1N(C)C ZINC000183693890 134353010 /nfs/dbraw/zinc/35/30/10/134353010.db2.gz IBCAIAFEOPYQQZ-NSHDSACASA-N 0 1 249.358 2.170 20 0 BEADMN COCCCCNCc1ncc(Cl)s1 ZINC000225314530 134354279 /nfs/dbraw/zinc/35/42/79/134354279.db2.gz ARPTZMBUPGFESH-UHFFFAOYSA-N 0 1 234.752 2.313 20 0 BEADMN O[C@H](CNCc1cc2ccccc2o1)C(F)F ZINC000226576590 134366774 /nfs/dbraw/zinc/36/67/74/134366774.db2.gz PERGNTOZAHUTKD-SNVBAGLBSA-N 0 1 241.237 2.148 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@H](C)CO1 ZINC000184650551 134367005 /nfs/dbraw/zinc/36/70/05/134367005.db2.gz QUFVOTLODVJOEJ-UTUOFQBUSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@H](NCc1ccon1)[C@H]1COc2ccccc21 ZINC000185576988 134381885 /nfs/dbraw/zinc/38/18/85/134381885.db2.gz SRXPRYHQLZDNJA-GXFFZTMASA-N 0 1 244.294 2.329 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000227535289 134382718 /nfs/dbraw/zinc/38/27/18/134382718.db2.gz UEBYXAWNJAMRQG-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN CO[C@@H]1C[C@H](NCc2csc(C)n2)C1(C)C ZINC000227825977 134389306 /nfs/dbraw/zinc/38/93/06/134389306.db2.gz MUDIANCBCXQBOC-WDEREUQCSA-N 0 1 240.372 2.355 20 0 BEADMN CO[C@H]1C[C@H](NCc2cscn2)C1(C)C ZINC000227829535 134390264 /nfs/dbraw/zinc/39/02/64/134390264.db2.gz YWSZJRSVZCBOOM-UWVGGRQHSA-N 0 1 226.345 2.046 20 0 BEADMN CCCN(CCCF)[C@H](CC)C(=O)OCC ZINC000190357225 134559649 /nfs/dbraw/zinc/55/96/49/134559649.db2.gz QSZOHHYTEDLMLM-LLVKDONJSA-N 0 1 233.327 2.400 20 0 BEADMN CC[C@H]1C[C@H](NCc2cscn2)CCO1 ZINC000069891441 134904938 /nfs/dbraw/zinc/90/49/38/134904938.db2.gz SRQFIPZBLWTPCV-KOLCDFICSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C)[C@H]2C)n1C1CC1 ZINC000248370675 135000306 /nfs/dbraw/zinc/00/03/06/135000306.db2.gz XULIEIUKKZHGGD-NXEZZACHSA-N 0 1 234.347 2.152 20 0 BEADMN CO[C@H](C)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000248412867 135006107 /nfs/dbraw/zinc/00/61/07/135006107.db2.gz FSLMIGYUBKADSQ-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN CO[C@@H](C)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000248404388 135006644 /nfs/dbraw/zinc/00/66/44/135006644.db2.gz AALQKZMGSOSYPH-ZFWWWQNUSA-N 0 1 249.354 2.269 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@@H](C)CO1 ZINC000248578822 135014849 /nfs/dbraw/zinc/01/48/49/135014849.db2.gz QUFVOTLODVJOEJ-TUAOUCFPSA-N 0 1 227.348 2.053 20 0 BEADMN COc1ccc(CCN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000249054533 135031133 /nfs/dbraw/zinc/03/11/33/135031133.db2.gz LMXAKVGUZDBIJM-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN CCc1nnc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000249376317 135037731 /nfs/dbraw/zinc/03/77/31/135037731.db2.gz YNPWIRTWCNVAQD-SRVKXCTJSA-N 0 1 248.374 2.378 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1nccs1 ZINC000249530552 135040764 /nfs/dbraw/zinc/04/07/64/135040764.db2.gz AVPAYRSWXYDBDE-UKKRHICBSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1nccs1 ZINC000249530553 135041149 /nfs/dbraw/zinc/04/11/49/135041149.db2.gz AVPAYRSWXYDBDE-ZDCRXTMVSA-N 0 1 238.356 2.361 20 0 BEADMN CC(C)CCOCCN1C[C@H](C)OC[C@@H]1C ZINC000249746132 135044394 /nfs/dbraw/zinc/04/43/94/135044394.db2.gz CVMDTRDLMKNNGN-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cs1 ZINC000250062267 135048600 /nfs/dbraw/zinc/04/86/00/135048600.db2.gz NBBPRTWFXKKZLY-QJPTWQEYSA-N 0 1 238.356 2.109 20 0 BEADMN CC1(C)CCC[C@@H]1NCc1ncccn1 ZINC000086874533 135099918 /nfs/dbraw/zinc/09/99/18/135099918.db2.gz CGZHQIOCFNIFES-JTQLQIEISA-N 0 1 205.305 2.145 20 0 BEADMN Cc1cccc(N[C@@H](CC(C)C)C(=O)[O-])[nH+]1 ZINC000257661528 135100417 /nfs/dbraw/zinc/10/04/17/135100417.db2.gz UTRFQXBBXQUOQH-JTQLQIEISA-N 0 1 222.288 2.301 20 0 BEADMN C[C@@H]1C[C@H](NCc2cscn2)CS1 ZINC000086936016 135102395 /nfs/dbraw/zinc/10/23/95/135102395.db2.gz WULWUXYDFWAEQB-SFYZADRCSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O ZINC000253106414 135122313 /nfs/dbraw/zinc/12/23/13/135122313.db2.gz BMOUDYJOSFGMMR-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000263304671 135126188 /nfs/dbraw/zinc/12/61/88/135126188.db2.gz DWKIYXRRGMCBEF-IJLUTSLNSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1ccc(CC[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000258920001 135135784 /nfs/dbraw/zinc/13/57/84/135135784.db2.gz QHDCRJPKEQERGD-LBPRGKRZSA-N 0 1 235.327 2.190 20 0 BEADMN C[C@H](N)c1nc(C2CCOCC2)cs1 ZINC000259280291 135142603 /nfs/dbraw/zinc/14/26/03/135142603.db2.gz PHWDAKQIQHAPIV-ZETCQYMHSA-N 0 1 212.318 2.057 20 0 BEADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCO)s1 ZINC000266003642 135146999 /nfs/dbraw/zinc/14/69/99/135146999.db2.gz OTDTXNWKJUDSIN-SNVBAGLBSA-N 0 1 242.388 2.389 20 0 BEADMN c1cc(C[N@H+]2CCCC3(CCOCC3)C2)ccn1 ZINC000265998712 135147071 /nfs/dbraw/zinc/14/70/71/135147071.db2.gz IJANNFOHRWAMPP-UHFFFAOYSA-N 0 1 246.354 2.474 20 0 BEADMN CC(C)(C)CCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000261527283 135151410 /nfs/dbraw/zinc/15/14/10/135151410.db2.gz LRFNELGUPCXYNF-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCCC(C)(C)C)CCC(=O)[O-] ZINC000261529361 135156008 /nfs/dbraw/zinc/15/60/08/135156008.db2.gz RNWGCNCXSSOUET-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1cc(-c2csc([C@@H](C)N)n2)on1 ZINC000261530563 135158203 /nfs/dbraw/zinc/15/82/03/135158203.db2.gz CQXLJUXPGNHGEX-ZCFIWIBFSA-N 0 1 209.274 2.126 20 0 BEADMN CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)[O-] ZINC000261538003 135175578 /nfs/dbraw/zinc/17/55/78/135175578.db2.gz XCOZENSVAIAQJN-VIFPVBQESA-N 0 1 227.329 2.086 20 0 BEADMN C[C@H](N)c1nc([C@@H]2CCCOC2)cs1 ZINC000261538026 135175666 /nfs/dbraw/zinc/17/56/66/135175666.db2.gz XESUHAPKRFLLES-JGVFFNPUSA-N 0 1 212.318 2.057 20 0 BEADMN C[C@@H](NCCOC(F)(F)F)c1ccco1 ZINC000084177782 135189751 /nfs/dbraw/zinc/18/97/51/135189751.db2.gz AHNICEQKFWFPHO-SSDOTTSWSA-N 0 1 223.194 2.467 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)CSC ZINC000297581183 135196631 /nfs/dbraw/zinc/19/66/31/135196631.db2.gz HDLIMUIAYKGZOJ-ZJUUUORDSA-N 0 1 227.377 2.305 20 0 BEADMN Clc1ccc(CNCCOCC2CC2)o1 ZINC000163944467 135211103 /nfs/dbraw/zinc/21/11/03/135211103.db2.gz ROKLPQATSVUIIQ-UHFFFAOYSA-N 0 1 229.707 2.449 20 0 BEADMN CC1(C)C[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000164128993 135212820 /nfs/dbraw/zinc/21/28/20/135212820.db2.gz QGKONUDEYZFVLJ-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN C[C@@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@H]1C ZINC000164128326 135212852 /nfs/dbraw/zinc/21/28/52/135212852.db2.gz UJYWLTJCSJJDKO-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)[O-])cc1 ZINC000261587956 135228488 /nfs/dbraw/zinc/22/84/88/135228488.db2.gz RZXOFZXDLYKRTM-LBPRGKRZSA-N 0 1 219.284 2.217 20 0 BEADMN CC[C@]1(C)C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000261667053 135244824 /nfs/dbraw/zinc/24/48/24/135244824.db2.gz FZKGTEQRIGPJAH-GZMMTYOYSA-N 0 1 221.304 2.311 20 0 BEADMN CC[C@]1(C)C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000261667056 135245133 /nfs/dbraw/zinc/24/51/33/135245133.db2.gz FZKGTEQRIGPJAH-LDYMZIIASA-N 0 1 221.304 2.311 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000261720568 135247354 /nfs/dbraw/zinc/24/73/54/135247354.db2.gz LDWKBIYPTZRSRK-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1ccc(-c2noc([C@H]3CCN3)n2)cc1 ZINC000261752918 135250134 /nfs/dbraw/zinc/25/01/34/135250134.db2.gz LWJWPOQFEFMPBK-LLVKDONJSA-N 0 1 229.283 2.333 20 0 BEADMN CC/C=C\CCN(CCC)CC(=O)OC ZINC000342283960 135255956 /nfs/dbraw/zinc/25/59/56/135255956.db2.gz ZKKCRBFEMSPOSE-SREVYHEPSA-N 0 1 213.321 2.228 20 0 BEADMN COc1cc([C@@H](C)NCc2cccn2C)ccn1 ZINC000342293023 135256276 /nfs/dbraw/zinc/25/62/76/135256276.db2.gz OLNWDANEPGEUTN-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN CN(Cc1ccoc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000342306968 135257862 /nfs/dbraw/zinc/25/78/62/135257862.db2.gz NVCHYDMDBBBLSW-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN CC[C@H]1CC[C@@H](c2nc(C3(N)CCC3)no2)O1 ZINC000261888063 135260257 /nfs/dbraw/zinc/26/02/57/135260257.db2.gz XCAATRIFZUPDFU-IUCAKERBSA-N 0 1 237.303 2.038 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262150172 135282521 /nfs/dbraw/zinc/28/25/21/135282521.db2.gz MVHPOFJCZNFFSL-WCQYABFASA-N 0 1 225.332 2.219 20 0 BEADMN Cn1ccnc1[C@H](NC[C@@H]1CCCCO1)C1CC1 ZINC000342494910 135283418 /nfs/dbraw/zinc/28/34/18/135283418.db2.gz MPQHVXWOQBPCNH-QWHCGFSZSA-N 0 1 249.358 2.030 20 0 BEADMN COc1cccc(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262230178 135286184 /nfs/dbraw/zinc/28/61/84/135286184.db2.gz MBJXUUXRDIJFHJ-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN CCC(=O)N1CCNC[C@@H]1c1ccc(CC)cc1 ZINC000262234127 135286405 /nfs/dbraw/zinc/28/64/05/135286405.db2.gz OHEIGSMAQSKLAW-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN CCC[C@@H](C)CN1CCn2ccnc2C1 ZINC000342751959 135310918 /nfs/dbraw/zinc/31/09/18/135310918.db2.gz KMUFTRCKAHEQAV-LLVKDONJSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1cnc(CN([C@@H](C)C2CC2)C2CC2)n1C ZINC000342798930 135320325 /nfs/dbraw/zinc/32/03/25/135320325.db2.gz YUAJFRQUQKLBET-NSHDSACASA-N 0 1 233.359 2.491 20 0 BEADMN Cc1cnc(CN2CCC(C)(C)CC2)n1C ZINC000342798511 135321099 /nfs/dbraw/zinc/32/10/99/135321099.db2.gz UVSRWZBJCSOQEP-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(C)(C)C)C1 ZINC000263053335 135330153 /nfs/dbraw/zinc/33/01/53/135330153.db2.gz LHTUUNWHXXINNE-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN CCC[C@H](C)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263081644 135331198 /nfs/dbraw/zinc/33/11/98/135331198.db2.gz RPEDCTVUXMXIAF-QJPTWQEYSA-N 0 1 227.348 2.465 20 0 BEADMN COCc1cnc(CN2C[C@H](C)[C@@H](C)C2)s1 ZINC000342940673 135338061 /nfs/dbraw/zinc/33/80/61/135338061.db2.gz HZDHKPACXZFTJQ-UWVGGRQHSA-N 0 1 240.372 2.377 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(C)c1F ZINC000263329103 135347148 /nfs/dbraw/zinc/34/71/48/135347148.db2.gz LLTYGEBGRNTLQP-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN Cc1cnc(CN2CC(C)=C[C@@H](C)C2)cn1 ZINC000334304123 135347380 /nfs/dbraw/zinc/34/73/80/135347380.db2.gz BXGJCLCEMHMUKP-SNVBAGLBSA-N 0 1 217.316 2.183 20 0 BEADMN Cc1cnc(CN2CC(C)=C[C@H](C)C2)cn1 ZINC000334304120 135347609 /nfs/dbraw/zinc/34/76/09/135347609.db2.gz BXGJCLCEMHMUKP-JTQLQIEISA-N 0 1 217.316 2.183 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263356551 135348914 /nfs/dbraw/zinc/34/89/14/135348914.db2.gz RWTRRNAADHGGAH-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000263395000 135351423 /nfs/dbraw/zinc/35/14/23/135351423.db2.gz GHEVRVAGCPGGRT-LBPRGKRZSA-N 0 1 245.278 2.482 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263432266 135353670 /nfs/dbraw/zinc/35/36/70/135353670.db2.gz SOCOQNDKTZOEBK-LBPRGKRZSA-N 0 1 219.284 2.369 20 0 BEADMN COc1ccccc1/C=C/C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263433228 135354011 /nfs/dbraw/zinc/35/40/11/135354011.db2.gz SWPXIUKSABXNKP-LXSSAFMLSA-N 0 1 249.310 2.113 20 0 BEADMN CC[C@@H]1CCCN(Cc2ncc(C)cn2)C1 ZINC000334329818 135354285 /nfs/dbraw/zinc/35/42/85/135354285.db2.gz JREJUQDVSUPTQI-GFCCVEGCSA-N 0 1 219.332 2.407 20 0 BEADMN CSC1(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000334330393 135354973 /nfs/dbraw/zinc/35/49/73/135354973.db2.gz OQYROYOAXZBQQK-UHFFFAOYSA-N 0 1 247.323 2.397 20 0 BEADMN C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nccs1 ZINC000334373567 135376096 /nfs/dbraw/zinc/37/60/96/135376096.db2.gz TUFFUDSSNXZBRD-DTWKUNHWSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nccs1 ZINC000334373567 135376097 /nfs/dbraw/zinc/37/60/97/135376097.db2.gz TUFFUDSSNXZBRD-DTWKUNHWSA-N 0 1 239.344 2.279 20 0 BEADMN c1nc(CCNc2ccc3ccccc3n2)n[nH]1 ZINC000080589682 135383288 /nfs/dbraw/zinc/38/32/88/135383288.db2.gz IWWLOGNVONGTQV-UHFFFAOYSA-N 0 1 239.282 2.008 20 0 BEADMN C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccccc21 ZINC000334391419 135386021 /nfs/dbraw/zinc/38/60/21/135386021.db2.gz VCRXDVZXNAYHDX-LBPRGKRZSA-N 0 1 241.338 2.375 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C(C)C)C2)o1 ZINC000334400527 135389450 /nfs/dbraw/zinc/38/94/50/135389450.db2.gz FAULVHQBGCLXEC-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000334403409 135391929 /nfs/dbraw/zinc/39/19/29/135391929.db2.gz DUMQFVIXEOQDIC-MWLCHTKSSA-N 0 1 222.336 2.124 20 0 BEADMN C[C@@H](C[N@H+]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000334411243 135395323 /nfs/dbraw/zinc/39/53/23/135395323.db2.gz LAQLKVMVUUSGEE-KBPBESRZSA-N 0 1 232.371 2.426 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)n1C ZINC000334412168 135396758 /nfs/dbraw/zinc/39/67/58/135396758.db2.gz NNQLTDVCIKYIJC-NEPJUHHUSA-N 0 1 248.374 2.134 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)C(C)(C)C ZINC000334417402 135398470 /nfs/dbraw/zinc/39/84/70/135398470.db2.gz OMIIPHLNSGDDMW-UWVGGRQHSA-N 0 1 249.358 2.065 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)C(C)(C)C ZINC000334417404 135398548 /nfs/dbraw/zinc/39/85/48/135398548.db2.gz OMIIPHLNSGDDMW-VHSXEESVSA-N 0 1 249.358 2.065 20 0 BEADMN COC(C)(C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000334416390 135398850 /nfs/dbraw/zinc/39/88/50/135398850.db2.gz XPGGOXYDYPWHEU-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1[nH]nc2ncc(CN[C@H]3CCC[C@H]3F)cc12 ZINC000334419496 135399236 /nfs/dbraw/zinc/39/92/36/135399236.db2.gz SIDDMMIYPICBPI-NEPJUHHUSA-N 0 1 248.305 2.247 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])C(C)C)ccc1F ZINC000086739905 135496264 /nfs/dbraw/zinc/49/62/64/135496264.db2.gz ABAVGENZZCCOOE-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN C(c1noc(C23CCCN2CCC3)n1)C1CCC1 ZINC000334965776 135852494 /nfs/dbraw/zinc/85/24/94/135852494.db2.gz BMKZZMHXGAKYEJ-UHFFFAOYSA-N 0 1 247.342 2.497 20 0 BEADMN Cn1c2ccccc2nc1CN[C@H]1CC12CC2 ZINC000335284925 136001853 /nfs/dbraw/zinc/00/18/53/136001853.db2.gz NQUWWPJQHCTBMM-LBPRGKRZSA-N 0 1 227.311 2.215 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@](C)(O)CC2)o1 ZINC000335297530 136007304 /nfs/dbraw/zinc/00/73/04/136007304.db2.gz CIQGYKOIZYYYJX-YPMHNXCESA-N 0 1 238.331 2.281 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C=C[C@H](CO)C2)o1 ZINC000347771362 136008896 /nfs/dbraw/zinc/00/88/96/136008896.db2.gz CZHBVSHWOGBZHM-UHXUPSOCSA-N 0 1 247.338 2.430 20 0 BEADMN Cc1ccnc(NCCNc2ccccn2)c1 ZINC000347754842 136011621 /nfs/dbraw/zinc/01/16/21/136011621.db2.gz OKSIJJNUTXBTGO-UHFFFAOYSA-N 0 1 228.299 2.309 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)CC[C@@H]2C)nn1 ZINC000335318335 136025977 /nfs/dbraw/zinc/02/59/77/136025977.db2.gz CXECSTDKHBNIPH-RYUDHWBXSA-N 0 1 236.363 2.479 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)CC[C@@H]2C)nn1 ZINC000335318333 136026101 /nfs/dbraw/zinc/02/61/01/136026101.db2.gz CXECSTDKHBNIPH-NEPJUHHUSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1COCCN(Cc2ccccc2F)C1 ZINC000335312726 136030641 /nfs/dbraw/zinc/03/06/41/136030641.db2.gz GVJGCPGAEVKFBC-NSHDSACASA-N 0 1 223.291 2.294 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1C[C@H]1C(F)F ZINC000348210286 136044860 /nfs/dbraw/zinc/04/48/60/136044860.db2.gz MKXBMHOHNZPDIP-VXNVDRBHSA-N 0 1 216.231 2.035 20 0 BEADMN Cc1ncccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000335338988 136045006 /nfs/dbraw/zinc/04/50/06/136045006.db2.gz LKPXUIOJEQURCJ-PHIMTYICSA-N 0 1 247.342 2.201 20 0 BEADMN CCc1ccc(CN2CC=C(COC)CC2)cn1 ZINC000348196013 136051105 /nfs/dbraw/zinc/05/11/05/136051105.db2.gz ZXZDLLGKBITSCL-UHFFFAOYSA-N 0 1 246.354 2.423 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCCC2(C)C)[nH]1 ZINC000335340883 136064010 /nfs/dbraw/zinc/06/40/10/136064010.db2.gz SDZWWSBLCVAUKT-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCCC2(C)C)n1 ZINC000335340883 136064011 /nfs/dbraw/zinc/06/40/11/136064011.db2.gz SDZWWSBLCVAUKT-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CC(C)c1nc(CN2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000335341713 136064516 /nfs/dbraw/zinc/06/45/16/136064516.db2.gz UBNFFPBEGUKEGL-QWRGUYRKSA-N 0 1 236.363 2.406 20 0 BEADMN CC/C=C/CCN(C)Cc1ccnn1C ZINC000348379985 136074427 /nfs/dbraw/zinc/07/44/27/136074427.db2.gz VCYFKSQEBKIJNM-AATRIKPKSA-N 0 1 207.321 2.208 20 0 BEADMN CC(C)n1cc(CN(C)[C@H]2CC[C@@H](C)C2)nn1 ZINC000348408994 136077139 /nfs/dbraw/zinc/07/71/39/136077139.db2.gz MIOMWASZFPPSBF-YPMHNXCESA-N 0 1 236.363 2.479 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@H]2C)nc1 ZINC000335396418 136092686 /nfs/dbraw/zinc/09/26/86/136092686.db2.gz JJVYBNSYTPVYRX-VXGBXAGGSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@@H]2C)nc1 ZINC000335396416 136092739 /nfs/dbraw/zinc/09/27/39/136092739.db2.gz JJVYBNSYTPVYRX-RYUDHWBXSA-N 0 1 219.332 2.405 20 0 BEADMN CCN1CCN(Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000348551306 136096196 /nfs/dbraw/zinc/09/61/96/136096196.db2.gz UKFVZYJLJQUQFM-JTQLQIEISA-N 0 1 242.750 2.459 20 0 BEADMN Cc1nccc(N2CC[C@@H](C)[C@H]2CO)c1Cl ZINC000335557879 136099787 /nfs/dbraw/zinc/09/97/87/136099787.db2.gz GJLLLOPUPGZSSM-LDYMZIIASA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(NCc2cccnc2)c1Cl ZINC000335557868 136099903 /nfs/dbraw/zinc/09/99/03/136099903.db2.gz DTBFKUGVGUECMG-UHFFFAOYSA-N 0 1 233.702 2.472 20 0 BEADMN Cc1nccc(N2CC[C@H](C)[C@H]2CO)c1Cl ZINC000335557876 136100226 /nfs/dbraw/zinc/10/02/26/136100226.db2.gz GJLLLOPUPGZSSM-GZMMTYOYSA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cnns1 ZINC000335595309 136104820 /nfs/dbraw/zinc/10/48/20/136104820.db2.gz BCGPEBPCWRQCJV-WPRPVWTQSA-N 0 1 211.334 2.159 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)[C@@H]1CC1(C)C ZINC000335565496 136107598 /nfs/dbraw/zinc/10/75/98/136107598.db2.gz YZKPEQYVRGJQEP-OLZOCXBDSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cnns1 ZINC000335570577 136109106 /nfs/dbraw/zinc/10/91/06/136109106.db2.gz ITIKHSXTZIYAAQ-RKDXNWHRSA-N 0 1 211.334 2.301 20 0 BEADMN C[C@@H]1CN(Cc2cnns2)C(C)(C)C1 ZINC000335570436 136109169 /nfs/dbraw/zinc/10/91/69/136109169.db2.gz PUONJFRBPVRPSD-QMMMGPOBSA-N 0 1 211.334 2.159 20 0 BEADMN c1nnsc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000335570565 136109296 /nfs/dbraw/zinc/10/92/96/136109296.db2.gz HUHHENLUGHUISV-AOOOYVTPSA-N 0 1 223.345 2.160 20 0 BEADMN c1nnsc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000335570567 136109338 /nfs/dbraw/zinc/10/93/38/136109338.db2.gz HUHHENLUGHUISV-UWVGGRQHSA-N 0 1 223.345 2.160 20 0 BEADMN C[C@H]1CC[C@H](C)N(Cc2cnns2)C1 ZINC000335569871 136109490 /nfs/dbraw/zinc/10/94/90/136109490.db2.gz JVPGSOOCYQOHFP-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H](CC1CCOCC1)C[N@H+]1CCO[C@@H](C)C1 ZINC000348670667 136112872 /nfs/dbraw/zinc/11/28/72/136112872.db2.gz JKWOGWRWGAMKKX-STQMWFEESA-N 0 1 241.375 2.160 20 0 BEADMN O=C1CCN(c2ccncc2C(F)(F)F)CC1 ZINC001331889542 974850310 /nfs/dbraw/zinc/85/03/10/974850310.db2.gz BCKFZCXKWCNYCJ-UHFFFAOYSA-N 0 1 244.216 2.270 20 0 BEADMN C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC001646372150 1172734285 /nfs/dbraw/zinc/73/42/85/1172734285.db2.gz ARJPOFKBOZVIGS-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN C[N@H+]1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC001646372151 1172734673 /nfs/dbraw/zinc/73/46/73/1172734673.db2.gz ARJPOFKBOZVIGS-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1nc(CN2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001647000780 1172749028 /nfs/dbraw/zinc/74/90/28/1172749028.db2.gz PTFRDKYYOGRYBW-GHMZBOCLSA-N 0 1 234.347 2.303 20 0 BEADMN CC(C)[C@H](O)CCNCc1c(F)cccc1F ZINC001647018813 1172750868 /nfs/dbraw/zinc/75/08/68/1172750868.db2.gz BTDMBTVQKBGRJA-CYBMUJFWSA-N 0 1 243.297 2.461 20 0 BEADMN CCC1CN(Cc2ccc(C)c(OC)n2)C1 ZINC001647048181 1172756285 /nfs/dbraw/zinc/75/62/85/1172756285.db2.gz REJVBTXTAPBKCM-UHFFFAOYSA-N 0 1 220.316 2.240 20 0 BEADMN CC(C)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000062743247 166959788 /nfs/dbraw/zinc/95/97/88/166959788.db2.gz WDSRGSSRSBALJJ-UHFFFAOYSA-N 0 1 235.327 2.272 20 0 BEADMN CC(C)=CCCN1CCn2nccc2C1 ZINC001647856848 1172771891 /nfs/dbraw/zinc/77/18/91/1172771891.db2.gz JYJCMEQYUHBJIS-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN CCc1ccc(CCN2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360294413 397733937 /nfs/dbraw/zinc/73/39/37/397733937.db2.gz YZECZTMDCNIOGI-CQSZACIVSA-N 0 1 246.398 2.427 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(C)CC1 ZINC000077901337 397760282 /nfs/dbraw/zinc/76/02/82/397760282.db2.gz QNMJTPXCRUFIGD-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cccc(CN2CCc3cn[nH]c3C2)c1F ZINC000648376332 397843165 /nfs/dbraw/zinc/84/31/65/397843165.db2.gz PSDMDIGJGKIFJZ-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2CCO)s1 ZINC000180472489 397857713 /nfs/dbraw/zinc/85/77/13/397857713.db2.gz SSIJZDROQGFWMW-LLVKDONJSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@@H](NCc1ncc(C)s1)[C@H]1CCCO1 ZINC000182302764 397824484 /nfs/dbraw/zinc/82/44/84/397824484.db2.gz KRFUROLCFCGFQL-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@@H]1CN(Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC000649545886 397936260 /nfs/dbraw/zinc/93/62/60/397936260.db2.gz WVNIMBPEQWVNGM-VXGBXAGGSA-N 0 1 233.359 2.307 20 0 BEADMN CC[C@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649550203 397941284 /nfs/dbraw/zinc/94/12/84/397941284.db2.gz FWKLZCFJGAAQOQ-NSHDSACASA-N 0 1 219.332 2.061 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cc2n(n1)CCC2 ZINC000649550157 397941396 /nfs/dbraw/zinc/94/13/96/397941396.db2.gz DNETUOCWKAAJFA-PHIMTYICSA-N 0 1 219.332 2.202 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cc2n(n1)CCC2 ZINC000649550156 397941983 /nfs/dbraw/zinc/94/19/83/397941983.db2.gz DNETUOCWKAAJFA-GHMZBOCLSA-N 0 1 219.332 2.202 20 0 BEADMN CC[C@@H]1CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649550744 397942930 /nfs/dbraw/zinc/94/29/30/397942930.db2.gz ZNMWXVKPUAJTNP-GFCCVEGCSA-N 0 1 233.359 2.451 20 0 BEADMN CC(C)CCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650145191 397943720 /nfs/dbraw/zinc/94/37/20/397943720.db2.gz GRYUODDGEFHHOB-UPJWGTAASA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)[C@H](C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650151656 397944897 /nfs/dbraw/zinc/94/48/97/397944897.db2.gz QVQMHQHTUSNDMD-YVECIDJPSA-N 0 1 240.391 2.218 20 0 BEADMN CC(C)c1cccc(CNCc2cnnn2C)c1 ZINC000358961095 397945206 /nfs/dbraw/zinc/94/52/06/397945206.db2.gz FSIGFVDYBUGLLW-UHFFFAOYSA-N 0 1 244.342 2.228 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000650154264 397945756 /nfs/dbraw/zinc/94/57/56/397945756.db2.gz HORUPHAJKBNMIB-UMSGYPCISA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650154264 397945759 /nfs/dbraw/zinc/94/57/59/397945759.db2.gz HORUPHAJKBNMIB-UMSGYPCISA-N 0 1 240.391 2.362 20 0 BEADMN Cc1nnsc1CN1CCC2(CC2)CC1 ZINC000649571078 397961093 /nfs/dbraw/zinc/96/10/93/397961093.db2.gz YJIKNCILNRVZLO-UHFFFAOYSA-N 0 1 223.345 2.223 20 0 BEADMN C[C@H](NCc1cccc(F)c1)c1ccnn1C ZINC000192247341 397893035 /nfs/dbraw/zinc/89/30/35/397893035.db2.gz VZVXYCUISHWIOJ-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CCO[C@@H]2C)n1 ZINC000120902322 397899826 /nfs/dbraw/zinc/89/98/26/397899826.db2.gz MNZSOPKPKFPCPF-IVZWLZJFSA-N 0 1 226.345 2.280 20 0 BEADMN COCCCCN(C)Cc1cn2ccccc2n1 ZINC000418140569 397990111 /nfs/dbraw/zinc/99/01/11/397990111.db2.gz VSRIDMIPOTWKJD-UHFFFAOYSA-N 0 1 247.342 2.193 20 0 BEADMN CO[C@@H](C)CCc1nc([C@@H](N)CC(C)C)no1 ZINC000414620673 397993588 /nfs/dbraw/zinc/99/35/88/397993588.db2.gz QIGKKZUFRFGNGF-UWVGGRQHSA-N 0 1 241.335 2.083 20 0 BEADMN OC1(CCCNc2ncc(Cl)s2)CCC1 ZINC000643196220 398003893 /nfs/dbraw/zinc/00/38/93/398003893.db2.gz JYVQXJBESKDVRF-UHFFFAOYSA-N 0 1 246.763 2.326 20 0 BEADMN CC(C)(C)OCCC[N@@H+](C1CC1)C1COC1 ZINC000649696231 398046163 /nfs/dbraw/zinc/04/61/63/398046163.db2.gz CIIYVDPEIXCCBT-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)(C)OCCCN(C1CC1)C1COC1 ZINC000649696231 398046167 /nfs/dbraw/zinc/04/61/67/398046167.db2.gz CIIYVDPEIXCCBT-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)C(C)(C)C ZINC000372901423 398007018 /nfs/dbraw/zinc/00/70/18/398007018.db2.gz FNRRYXIWMAYQGU-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN CCCCCc1nc(C2(N)CCC2)no1 ZINC000336729944 398015888 /nfs/dbraw/zinc/01/58/88/398015888.db2.gz DMPOTRXIAXHDLG-UHFFFAOYSA-N 0 1 209.293 2.140 20 0 BEADMN Cc1cc(CN2CCC[C@H](OC(C)C)C2)on1 ZINC000649699445 398048035 /nfs/dbraw/zinc/04/80/35/398048035.db2.gz NDYOVMOSZJSVJS-LBPRGKRZSA-N 0 1 238.331 2.372 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000383811566 398037805 /nfs/dbraw/zinc/03/78/05/398037805.db2.gz AOODKQXVRWKBQL-NEPJUHHUSA-N 0 1 223.316 2.139 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000361055691 397971641 /nfs/dbraw/zinc/97/16/41/397971641.db2.gz WVLZTTHKJRIEKX-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649588110 397971791 /nfs/dbraw/zinc/97/17/91/397971791.db2.gz BMNRMQFYWFSXTG-RISCZKNCSA-N 0 1 233.359 2.450 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1CC[C@@H](SC)C1 ZINC000451324969 397973164 /nfs/dbraw/zinc/97/31/64/397973164.db2.gz MMTGKXHSDIFFKW-MNOVXSKESA-N 0 1 245.388 2.011 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H]2C2CC2)n1 ZINC000361331135 397976768 /nfs/dbraw/zinc/97/67/68/397976768.db2.gz MKJMOIMRWMQXNW-GFCCVEGCSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H]2C2CC2)n1 ZINC000361331135 397976769 /nfs/dbraw/zinc/97/67/69/397976769.db2.gz MKJMOIMRWMQXNW-GFCCVEGCSA-N 0 1 247.342 2.119 20 0 BEADMN CSCSc1nc(C2CC2)n[nH]1 ZINC000292760389 398042738 /nfs/dbraw/zinc/04/27/38/398042738.db2.gz WNJKYSQOKGGVQW-UHFFFAOYSA-N 0 1 201.320 2.095 20 0 BEADMN CSCSc1n[nH]c(C2CC2)n1 ZINC000292760389 398042742 /nfs/dbraw/zinc/04/27/42/398042742.db2.gz WNJKYSQOKGGVQW-UHFFFAOYSA-N 0 1 201.320 2.095 20 0 BEADMN CCN(Cc1nc(C)no1)[C@@H](C)C(C)C ZINC000065299376 397979056 /nfs/dbraw/zinc/97/90/56/397979056.db2.gz ADDMNWQGADTASF-VIFPVBQESA-N 0 1 211.309 2.244 20 0 BEADMN COc1cccc(C)c1CN(C)[C@@H]1CCOC1 ZINC000638028306 398062641 /nfs/dbraw/zinc/06/26/41/398062641.db2.gz IRNCRPOEQORXBG-GFCCVEGCSA-N 0 1 235.327 2.224 20 0 BEADMN COc1cc(Cl)ccc1CN(C)C[C@@H](C)O ZINC000291329168 398092549 /nfs/dbraw/zinc/09/25/49/398092549.db2.gz VNLUQNNDTFXGDL-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2)[C@@H](C)CO1 ZINC000649730468 398068895 /nfs/dbraw/zinc/06/88/95/398068895.db2.gz RVSJZAMAXJQWJU-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)[C@@H](C)CO1 ZINC000649734811 398070199 /nfs/dbraw/zinc/07/01/99/398070199.db2.gz ATBYCHFOPZZWES-YNEHKIRRSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1CN(CCOCC(C)C)[C@@H](C)CO1 ZINC000649737176 398075872 /nfs/dbraw/zinc/07/58/72/398075872.db2.gz SMEWYXCTXRKOTC-QWHCGFSZSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CN(CCOCC(C)C)[C@H](C)CO1 ZINC000649737174 398076002 /nfs/dbraw/zinc/07/60/02/398076002.db2.gz SMEWYXCTXRKOTC-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)[C@H](C)CO1 ZINC000649736099 398077539 /nfs/dbraw/zinc/07/75/39/398077539.db2.gz WKWDKQWKWIGGGA-LPWJVIDDSA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)[C@H](C)CO1 ZINC000649736101 398077758 /nfs/dbraw/zinc/07/77/58/398077758.db2.gz WKWDKQWKWIGGGA-XQHKEYJVSA-N 0 1 227.348 2.053 20 0 BEADMN CCN(Cc1cnc(C)s1)[C@@H]1CCCOC1 ZINC000649755357 398085960 /nfs/dbraw/zinc/08/59/60/398085960.db2.gz MBVXHDSNMIYXOB-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ccc2nc([C@H]3CCCN3CCO)[nH]c2c1 ZINC000289315439 398086030 /nfs/dbraw/zinc/08/60/30/398086030.db2.gz JNXCNNBYCBCMEY-CYBMUJFWSA-N 0 1 245.326 2.001 20 0 BEADMN C[C@@H](N[C@H]1CCOC2(CCC2)C1)C(F)F ZINC000389942907 398087438 /nfs/dbraw/zinc/08/74/38/398087438.db2.gz OEYNWAUOBBFDOZ-BDAKNGLRSA-N 0 1 219.275 2.331 20 0 BEADMN Cn1ccc(/C=C/c2nc([C@@H]3CCCN3)no2)c1 ZINC000647145886 398087832 /nfs/dbraw/zinc/08/78/32/398087832.db2.gz HHRZQRQFSYPYJO-ZWNMCFTASA-N 0 1 244.298 2.003 20 0 BEADMN CCC1(C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000291120702 398090058 /nfs/dbraw/zinc/09/00/58/398090058.db2.gz UXEYWHVBYUICDC-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1oc(CN)cc1C ZINC000637960422 398054778 /nfs/dbraw/zinc/05/47/78/398054778.db2.gz JKPQTAPAOPNLLD-SNVBAGLBSA-N 0 1 238.331 2.355 20 0 BEADMN COC[C@@H](N[C@H]1CCSC1)c1ccco1 ZINC000122300253 398101504 /nfs/dbraw/zinc/10/15/04/398101504.db2.gz LBOADGMXGGSPAK-VHSXEESVSA-N 0 1 227.329 2.062 20 0 BEADMN CC(C)CNCc1nc(C(C)(C)C)no1 ZINC000062743516 1172777348 /nfs/dbraw/zinc/77/73/48/1172777348.db2.gz RIXGQMDSISHMRV-UHFFFAOYSA-N 0 1 211.309 2.113 20 0 BEADMN CC(C)n1ncnc1CNC1(C2CCC2)CC1 ZINC000649810990 398118062 /nfs/dbraw/zinc/11/80/62/398118062.db2.gz AZIRUOUINYHUTF-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN c1c(CNC2(C3CCC3)CC2)nnn1CC1CC1 ZINC000649811085 398118102 /nfs/dbraw/zinc/11/81/02/398118102.db2.gz DYDWLECPNQQPOR-UHFFFAOYSA-N 0 1 246.358 2.110 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCSC2(CCCCC2)C1 ZINC000237511331 398112242 /nfs/dbraw/zinc/11/22/42/398112242.db2.gz MUSFHPQIRDAFJZ-JTQLQIEISA-N 0 1 243.372 2.211 20 0 BEADMN CN(C)CC(=O)N1CCCC2(CCCCC2)C1 ZINC000111660183 398113077 /nfs/dbraw/zinc/11/30/77/398113077.db2.gz WZVBHYPGGQDCHX-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@H]1CC[C@@H](CN2C[C@@H](C)OCC23CCC3)O1 ZINC000649821885 398123582 /nfs/dbraw/zinc/12/35/82/398123582.db2.gz SJYBRRMEKALPPS-XQQFMLRXSA-N 0 1 239.359 2.197 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)C2(CCC2)CO1 ZINC000649822532 398124492 /nfs/dbraw/zinc/12/44/92/398124492.db2.gz JJCVQFMOVRVGIK-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CCCCN(C)Cc1nc(-c2ccccn2)no1 ZINC000076176418 398125839 /nfs/dbraw/zinc/12/58/39/398125839.db2.gz ZPYPIWIUDFFYSG-UHFFFAOYSA-N 0 1 246.314 2.364 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)C(C)C ZINC000070125370 398126287 /nfs/dbraw/zinc/12/62/87/398126287.db2.gz RUHKQGQRTKARII-JTQLQIEISA-N 0 1 237.347 2.059 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)C2(CCC2)CO1 ZINC000649821799 398123131 /nfs/dbraw/zinc/12/31/31/398123131.db2.gz QQOMOZYSTJZSLT-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN CN(CC(=O)N1CCCC1)CC1=CCCCC1 ZINC000649222930 398132358 /nfs/dbraw/zinc/13/23/58/398132358.db2.gz AMCWDKDLVVYREY-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H]1C1CC1 ZINC000362023432 167020635 /nfs/dbraw/zinc/02/06/35/167020635.db2.gz ODVDBPBSYMSZOD-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cn1 ZINC000063215975 1172807613 /nfs/dbraw/zinc/80/76/13/1172807613.db2.gz YEBRDZCWUZLCBP-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCCN1CCCC[C@H]1c1ncccn1 ZINC001648208329 1172811505 /nfs/dbraw/zinc/81/15/05/1172811505.db2.gz PVGGSSJSLMPYPK-NSHDSACASA-N 0 1 205.305 2.414 20 0 BEADMN CN1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000257904446 322874004 /nfs/dbraw/zinc/87/40/04/322874004.db2.gz BNIGIUBRXJNPAB-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN Cc1noc(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)n1 ZINC001648476008 1172836437 /nfs/dbraw/zinc/83/64/37/1172836437.db2.gz ACEQKBYTRBCDQD-KZVDOYCCSA-N 0 1 247.342 2.246 20 0 BEADMN CN(Cc1ccc(Cl)o1)C[C@@H](O)C1CC1 ZINC000685460802 487529689 /nfs/dbraw/zinc/52/96/89/487529689.db2.gz FJAALQLBSIMEHR-SNVBAGLBSA-N 0 1 229.707 2.136 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000300941764 487559877 /nfs/dbraw/zinc/55/98/77/487559877.db2.gz NIVLUFGIRWPGPY-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762804 487560007 /nfs/dbraw/zinc/56/00/07/487560007.db2.gz RTMNOZDXZBDZLL-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762914 487560144 /nfs/dbraw/zinc/56/01/44/487560144.db2.gz AXZBZZQAHNBIKC-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN COc1cccc(NC(=O)c2[nH]c(C)nc2C)c1 ZINC001649365972 1172869704 /nfs/dbraw/zinc/86/97/04/1172869704.db2.gz SYGUCFGEWDRDNR-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN Cc1cn[nH]c1CN(C)c1cccc(O)c1 ZINC000668802085 487563543 /nfs/dbraw/zinc/56/35/43/487563543.db2.gz FFOBTXKYOMNRRY-UHFFFAOYSA-N 0 1 217.272 2.060 20 0 BEADMN Cc1cnc(CNCCc2ccccc2F)o1 ZINC000682781233 487563753 /nfs/dbraw/zinc/56/37/53/487563753.db2.gz ZBVVAECXTIFLDY-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN CCc1cc(CNCc2cccc(F)c2)[nH]n1 ZINC001649342784 1172872033 /nfs/dbraw/zinc/87/20/33/1172872033.db2.gz BNTLNIXMYUMBIQ-UHFFFAOYSA-N 0 1 233.290 2.401 20 0 BEADMN CCc1cc(CNCc2cccc(F)c2)n[nH]1 ZINC001649342784 1172872042 /nfs/dbraw/zinc/87/20/42/1172872042.db2.gz BNTLNIXMYUMBIQ-UHFFFAOYSA-N 0 1 233.290 2.401 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)C2(CO)CC2)o1 ZINC000668801890 487564961 /nfs/dbraw/zinc/56/49/61/487564961.db2.gz ZBROSCODQJCMIG-PWSUYJOCSA-N 0 1 235.327 2.360 20 0 BEADMN Cc1c[nH]nc1CN[C@H](c1cccnc1)C1CC1 ZINC000685619357 487565544 /nfs/dbraw/zinc/56/55/44/487565544.db2.gz QBHOUODABBOQAO-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN COC[C@H](N[C@H](C)[C@H]1CCCO1)c1ccco1 ZINC000680341898 487569410 /nfs/dbraw/zinc/56/94/10/487569410.db2.gz GWDHMXKAHGKHQC-GRYCIOLGSA-N 0 1 239.315 2.124 20 0 BEADMN CC(C)c1cc(CN[C@@H](C)[C@@H]2CCCO2)on1 ZINC000680341415 487569154 /nfs/dbraw/zinc/56/91/54/487569154.db2.gz LAENIOJJTQWDPB-GWCFXTLKSA-N 0 1 238.331 2.455 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000674409885 487570816 /nfs/dbraw/zinc/57/08/16/487570816.db2.gz QQFKYSXMWDHJNQ-NXEZZACHSA-N 0 1 235.331 2.090 20 0 BEADMN CCCn1cncc1CNCc1cncc(C)c1 ZINC001650877256 1172904562 /nfs/dbraw/zinc/90/45/62/1172904562.db2.gz GKPYNPNAKBJXTE-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN CC(C)OCCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000374858323 167212593 /nfs/dbraw/zinc/21/25/93/167212593.db2.gz QJKABMDZWCYRBU-GFCCVEGCSA-N 0 1 237.347 2.362 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@@H](C)C2CC2)cc1 ZINC000228083650 487582780 /nfs/dbraw/zinc/58/27/80/487582780.db2.gz BHTNXWGETCHGOF-RISCZKNCSA-N 0 1 246.354 2.157 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000080687435 487583767 /nfs/dbraw/zinc/58/37/67/487583767.db2.gz WSBLUXVJRJXWAA-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cn[nH]c1CN1CC(C)(C)OCC1(C)C ZINC000685837541 487583685 /nfs/dbraw/zinc/58/36/85/487583685.db2.gz ITRBFFAEDDBCNZ-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN CCC(CC)C(=O)Nc1cccc2[nH]nnc21 ZINC000074852754 487585028 /nfs/dbraw/zinc/58/50/28/487585028.db2.gz WDPWBVFOAXNLFF-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CCCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C(C)C ZINC000655238828 487591205 /nfs/dbraw/zinc/59/12/05/487591205.db2.gz DHWNUPQCJDPCLC-NSHDSACASA-N 0 1 237.347 2.235 20 0 BEADMN C[C@@H](O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000531276560 487600865 /nfs/dbraw/zinc/60/08/65/487600865.db2.gz PNVHJBOSTJVZGP-BDAKNGLRSA-N 0 1 249.339 2.333 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CCCF)Cc2ccccc21 ZINC000161056303 487601194 /nfs/dbraw/zinc/60/11/94/487601194.db2.gz ISDMYVDMQRKOOO-GFCCVEGCSA-N 0 1 237.274 2.030 20 0 BEADMN CCn1ccc(CN(C)CCC2CC2)n1 ZINC001651770518 1172986383 /nfs/dbraw/zinc/98/63/83/1172986383.db2.gz AZZCLOMLMZAPGD-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CC(C)CC(C)(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000674668121 487602663 /nfs/dbraw/zinc/60/26/63/487602663.db2.gz SSDVVBSWARFVMT-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)C(NC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC000676399598 487607882 /nfs/dbraw/zinc/60/78/82/487607882.db2.gz ADZRQHFCKXNSBK-UHFFFAOYSA-N 0 1 249.358 2.309 20 0 BEADMN CC(C)SCCN1C[C@@H](C)OC[C@@H]1C ZINC000336684238 167327576 /nfs/dbraw/zinc/32/75/76/167327576.db2.gz JJLGGLJWLGAIBU-WDEREUQCSA-N 0 1 217.378 2.237 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2coc(C)n2)C1(C)C ZINC000660702614 409590025 /nfs/dbraw/zinc/59/00/25/409590025.db2.gz ZJJURKJVNDZLPP-XXILOJSOSA-N 0 1 238.331 2.132 20 0 BEADMN Cc1nnc([C@@H](C)[N@H+](C)C[C@H]2CC2(C)C)[nH]1 ZINC000662343139 409655659 /nfs/dbraw/zinc/65/56/59/409655659.db2.gz HSPQZMNVYUTOSU-PSASIEDQSA-N 0 1 222.336 2.152 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)C[C@@H]1CC1(C)C ZINC000662343496 409655880 /nfs/dbraw/zinc/65/58/80/409655880.db2.gz KCYSMPORXPEVRP-ZJUUUORDSA-N 0 1 234.347 2.098 20 0 BEADMN Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CC2(C)C)[nH]1 ZINC000662343140 409656482 /nfs/dbraw/zinc/65/64/82/409656482.db2.gz HSPQZMNVYUTOSU-SCZZXKLOSA-N 0 1 222.336 2.152 20 0 BEADMN Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CC2(C)C)[nH]1 ZINC000662343141 409656547 /nfs/dbraw/zinc/65/65/47/409656547.db2.gz HSPQZMNVYUTOSU-WCBMZHEXSA-N 0 1 222.336 2.152 20 0 BEADMN CC1(CN2CCO[C@@](C)(C(F)F)C2)CC1 ZINC000668826532 487610330 /nfs/dbraw/zinc/61/03/30/487610330.db2.gz FGJHRQAGCSWURR-LLVKDONJSA-N 0 1 219.275 2.143 20 0 BEADMN CC(C)SCCN[C@@H](C)c1ncc[nH]1 ZINC000308659414 167331654 /nfs/dbraw/zinc/33/16/54/167331654.db2.gz PKFMKTIRBDGIDU-VIFPVBQESA-N 0 1 213.350 2.202 20 0 BEADMN CC1(C)C[C@H](N2CCO[C@@H](C3CCC3)C2)CO1 ZINC000660796543 409757370 /nfs/dbraw/zinc/75/73/70/409757370.db2.gz KOODESVLMJZCKW-QWHCGFSZSA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)SCCN[C@@H](C)c1nccn1C ZINC000308821440 167332236 /nfs/dbraw/zinc/33/22/36/167332236.db2.gz QRXFRKKMLYGVNH-JTQLQIEISA-N 0 1 227.377 2.212 20 0 BEADMN CO[C@@](C)(CNCc1nccs1)C1CC1 ZINC000308808298 409904792 /nfs/dbraw/zinc/90/47/92/409904792.db2.gz GNGAWVPHYCLWFU-NSHDSACASA-N 0 1 226.345 2.048 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000308942028 409964273 /nfs/dbraw/zinc/96/42/73/409964273.db2.gz SKPGPRVWNYKPKF-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)C2(CCC2)CO1 ZINC000651974320 409964524 /nfs/dbraw/zinc/96/45/24/409964524.db2.gz ADTJUKWIABOXTO-GFCCVEGCSA-N 0 1 234.343 2.169 20 0 BEADMN Cc1cc(CN2CC[C@@H](OC(C)C)C2)nc(C)n1 ZINC000660898404 409946615 /nfs/dbraw/zinc/94/66/15/409946615.db2.gz ZHVWUQSKHJWIKJ-CQSZACIVSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1nnc(-c2cc(C)c(F)cc2F)[nH]1 ZINC000132031130 410094512 /nfs/dbraw/zinc/09/45/12/410094512.db2.gz FXGLMFMUHACFTN-UHFFFAOYSA-N 0 1 209.199 2.367 20 0 BEADMN CN(Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000132829205 410099977 /nfs/dbraw/zinc/09/99/77/410099977.db2.gz YMWOFIFQUSNTIS-UHFFFAOYSA-N 0 1 233.237 2.033 20 0 BEADMN C[C@@H](CSC1CCC1)CN1CCOCC1 ZINC001651996784 1173022153 /nfs/dbraw/zinc/02/21/53/1173022153.db2.gz OPQKHXCEKXXJRV-LLVKDONJSA-N 0 1 229.389 2.240 20 0 BEADMN CCc1noc(CN(CC)CC(C)C)n1 ZINC000120101965 410227250 /nfs/dbraw/zinc/22/72/50/410227250.db2.gz KDLKQVMOYPIMHQ-UHFFFAOYSA-N 0 1 211.309 2.110 20 0 BEADMN CC(C)COCCN1CCO[C@](C)(C2CC2)C1 ZINC000661169348 410315917 /nfs/dbraw/zinc/31/59/17/410315917.db2.gz AJLAORMFOMPTHE-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001652008980 1173023702 /nfs/dbraw/zinc/02/37/02/1173023702.db2.gz VIKUYOLMTACEFW-VHSXEESVSA-N 0 1 244.285 2.086 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650789375 410434913 /nfs/dbraw/zinc/43/49/13/410434913.db2.gz DCTDXHXSCLQVMT-ZDUSSCGKSA-N 0 1 245.322 2.082 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccc2c1CCC2)C(=O)[O-] ZINC000650790802 410437109 /nfs/dbraw/zinc/43/71/09/410437109.db2.gz RLDSSEGHJRQDTF-LLVKDONJSA-N 0 1 247.338 2.328 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccc2c1CCC2)C(=O)[O-] ZINC000650790803 410437972 /nfs/dbraw/zinc/43/79/72/410437972.db2.gz RLDSSEGHJRQDTF-NSHDSACASA-N 0 1 247.338 2.328 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)o1)CC1CC1 ZINC000650797382 410446271 /nfs/dbraw/zinc/44/62/71/410446271.db2.gz UPVMONNMFJMBDG-UHFFFAOYSA-N 0 1 243.690 2.230 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccc(Cl)o1)CC1CC1 ZINC000650797382 410446276 /nfs/dbraw/zinc/44/62/76/410446276.db2.gz UPVMONNMFJMBDG-UHFFFAOYSA-N 0 1 243.690 2.230 20 0 BEADMN CCn1nncc1CN1CCC(C2CCC2)CC1 ZINC000661374131 410590346 /nfs/dbraw/zinc/59/03/46/410590346.db2.gz JSYCEIXVMUVRQR-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCC[C@H](C)NC(=O)c1cnccc1N(C)C ZINC000680574299 487617255 /nfs/dbraw/zinc/61/72/55/487617255.db2.gz MSLOYGYUMQLIAX-JTQLQIEISA-N 0 1 235.331 2.066 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC000650961176 410658608 /nfs/dbraw/zinc/65/86/08/410658608.db2.gz FYCIZRZBWSIJBX-ZJUUUORDSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCOCC1CC1 ZINC000661467821 410686364 /nfs/dbraw/zinc/68/63/64/410686364.db2.gz SPHBPSQODNGQCC-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CN[C@H](C)c1cn(CC2CCC(C)CC2)nn1 ZINC000393838697 410760229 /nfs/dbraw/zinc/76/02/29/410760229.db2.gz SPTNOJHKJFDATD-MOENNCHZSA-N 0 1 236.363 2.385 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000665288560 410774338 /nfs/dbraw/zinc/77/43/38/410774338.db2.gz QKPSXHHQSRERNG-NSHDSACASA-N 0 1 237.372 2.469 20 0 BEADMN c1cnc(CN2CC[C@H](C3CCC3)C2)nc1 ZINC000665290289 410775599 /nfs/dbraw/zinc/77/55/99/410775599.db2.gz SGRXECDXHRZWCJ-LBPRGKRZSA-N 0 1 217.316 2.099 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](C2CCC2)C1 ZINC000665290322 410775872 /nfs/dbraw/zinc/77/58/72/410775872.db2.gz TUUXRYOQHTVNIJ-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN CC(C)CCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000161558981 166802950 /nfs/dbraw/zinc/80/29/50/166802950.db2.gz QEXQPFNODRBMGJ-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651072206 410781659 /nfs/dbraw/zinc/78/16/59/410781659.db2.gz JQKCCZGLNLOTCJ-CHWSQXEVSA-N 0 1 247.342 2.161 20 0 BEADMN Cc1ccoc1C[N@H+](C)CCC[C@H](C)O ZINC000308879863 410786080 /nfs/dbraw/zinc/78/60/80/410786080.db2.gz CQXYZXRVGYQGLY-NSHDSACASA-N 0 1 211.305 2.181 20 0 BEADMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C ZINC000103294611 410889063 /nfs/dbraw/zinc/88/90/63/410889063.db2.gz CHMUTZCIYFEJEU-SECBINFHSA-N 0 1 202.257 2.354 20 0 BEADMN CC1=NN(Cc2ccc(C)cc2)C(=O)[C@@H]1C ZINC000103294690 410889568 /nfs/dbraw/zinc/88/95/68/410889568.db2.gz BQHMLSYBRSUTBD-SNVBAGLBSA-N 0 1 216.284 2.349 20 0 BEADMN Cc1[nH]n(Cc2ccc(C)cc2)c(=O)c1C ZINC000103294690 410889574 /nfs/dbraw/zinc/88/95/74/410889574.db2.gz BQHMLSYBRSUTBD-SNVBAGLBSA-N 0 1 216.284 2.349 20 0 BEADMN C[C@H](CO)CNc1ccc2cnccc2c1 ZINC000651272026 410894797 /nfs/dbraw/zinc/89/47/97/410894797.db2.gz MOGNSAUTLKVURH-JTQLQIEISA-N 0 1 216.284 2.275 20 0 BEADMN CC(C)N[C@@H](C)c1c(F)cncc1F ZINC000285753966 167132430 /nfs/dbraw/zinc/13/24/30/167132430.db2.gz QZITVYPRKHGSAO-ZETCQYMHSA-N 0 1 200.232 2.419 20 0 BEADMN CC(C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000054931995 167136217 /nfs/dbraw/zinc/13/62/17/167136217.db2.gz MGJYZCUQPFXESH-SECBINFHSA-N 0 1 213.227 2.396 20 0 BEADMN CC(C)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000125760535 167141041 /nfs/dbraw/zinc/14/10/41/167141041.db2.gz IQFZTFDXBKAQJP-JTQLQIEISA-N 0 1 222.336 2.234 20 0 BEADMN CC(C)OCCN1CCc2ccc(O)cc2C1 ZINC000336695946 167233623 /nfs/dbraw/zinc/23/36/23/167233623.db2.gz JQUCKLNUAPLZKT-UHFFFAOYSA-N 0 1 235.327 2.175 20 0 BEADMN CC(C)OC[C@@H](C)NCc1cn2ccccc2n1 ZINC000337271012 167257070 /nfs/dbraw/zinc/25/70/70/167257070.db2.gz BJUQKDLBDIBZKJ-GFCCVEGCSA-N 0 1 247.342 2.237 20 0 BEADMN CC(C)OC[C@H](C)NCc1cn2ccccc2n1 ZINC000337271013 167264981 /nfs/dbraw/zinc/26/49/81/167264981.db2.gz BJUQKDLBDIBZKJ-LBPRGKRZSA-N 0 1 247.342 2.237 20 0 BEADMN CC(C)ONC(=O)c1ccc(O)c(Cl)c1 ZINC000293578348 167278243 /nfs/dbraw/zinc/27/82/43/167278243.db2.gz ALFYIJGRRSPONY-UHFFFAOYSA-N 0 1 229.663 2.115 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@](C)(N)c1ccccc1 ZINC000081059521 167359739 /nfs/dbraw/zinc/35/97/39/167359739.db2.gz KSTRAOJLNORMMW-SWLSCSKDSA-N 0 1 248.370 2.269 20 0 BEADMN CC(C)[C@@H](C)N(C)CC(=O)OC(C)(C)C ZINC000312929692 167368736 /nfs/dbraw/zinc/36/87/36/167368736.db2.gz ANTYUWZQEHAWLX-SNVBAGLBSA-N 0 1 215.337 2.304 20 0 BEADMN CC(C)[C@@H](CC(F)(F)F)NCc1ncc[nH]1 ZINC000336650152 167389366 /nfs/dbraw/zinc/38/93/66/167389366.db2.gz DOUPOHWUMGIUGQ-MRVPVSSYSA-N 0 1 235.253 2.476 20 0 BEADMN OC[C@@H](CCF)NCc1c(F)cccc1Cl ZINC000652014915 410949833 /nfs/dbraw/zinc/94/98/33/410949833.db2.gz OBRCYEPDJSXNEJ-MRVPVSSYSA-N 0 1 249.688 2.289 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](CO)CCF)c(C)s1 ZINC000652032783 411083631 /nfs/dbraw/zinc/08/36/31/411083631.db2.gz ZOTUUWRWGTYEHE-OIBJUYFYSA-N 0 1 246.351 2.131 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCC(C)(C)C ZINC000042717806 411036132 /nfs/dbraw/zinc/03/61/32/411036132.db2.gz CNLJRQDNCJJFCY-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC[C@H](C)C2)n[nH]1 ZINC000044834695 411141497 /nfs/dbraw/zinc/14/14/97/411141497.db2.gz HKRLOIMOKXMYLR-JTQLQIEISA-N 0 1 235.331 2.405 20 0 BEADMN C[C@@H]1CCCCC[C@@H]1NCC(F)(F)CO ZINC000651764411 411142658 /nfs/dbraw/zinc/14/26/58/411142658.db2.gz XYDNQOFOKDHPQD-ZJUUUORDSA-N 0 1 221.291 2.172 20 0 BEADMN CC[C@H]1CN(Cc2cccn2C)[C@@H](CC)CO1 ZINC000651912243 411150312 /nfs/dbraw/zinc/15/03/12/411150312.db2.gz QGFKVNFPEHQQEI-JSGCOSHPSA-N 0 1 236.359 2.415 20 0 BEADMN CCc1cc(CN[C@H]2COC3(CCC3)C2)on1 ZINC000657890457 411156229 /nfs/dbraw/zinc/15/62/29/411156229.db2.gz WQYRYXCGQCJULH-LLVKDONJSA-N 0 1 236.315 2.038 20 0 BEADMN Cc1cc(CNC(=O)N[C@@]2(C)CC=CCC2)n[nH]1 ZINC000655573064 411156610 /nfs/dbraw/zinc/15/66/10/411156610.db2.gz YIBQVCBKJYKWCS-ZDUSSCGKSA-N 0 1 248.330 2.016 20 0 BEADMN CCc1[nH]n(-c2ccccc2)c(=O)c1C ZINC000110454678 411099402 /nfs/dbraw/zinc/09/94/02/411099402.db2.gz JOROGPJVBSJLTF-VIFPVBQESA-N 0 1 202.257 2.435 20 0 BEADMN C[C@H](CCO)N(C)Cc1cnc(C2CC2)s1 ZINC000652048853 411100441 /nfs/dbraw/zinc/10/04/41/411100441.db2.gz WHCSLKVMDBWGJK-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN F[C@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000652076863 411109256 /nfs/dbraw/zinc/10/92/56/411109256.db2.gz BORCVCKSZDEMRL-LBPRGKRZSA-N 0 1 233.290 2.497 20 0 BEADMN CCN(CC)Cc1ccc(C(=O)NC(C)C)o1 ZINC000047220160 411117957 /nfs/dbraw/zinc/11/79/57/411117957.db2.gz VOBQQDPFAUHIMV-UHFFFAOYSA-N 0 1 238.331 2.260 20 0 BEADMN CCCC(C)(C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000651546392 411118014 /nfs/dbraw/zinc/11/80/14/411118014.db2.gz RQHOSQIXRVPFQD-SNVBAGLBSA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CC(C)C ZINC000300848818 411127518 /nfs/dbraw/zinc/12/75/18/411127518.db2.gz FAXXCAGWQXQMET-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1=CCCC1 ZINC000401015663 411171873 /nfs/dbraw/zinc/17/18/73/411171873.db2.gz CQMFOGAZXMJLEE-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC2=CCCC2)C1 ZINC000401120686 411178481 /nfs/dbraw/zinc/17/84/81/411178481.db2.gz NMCJTHLOGAODIT-ZDUSSCGKSA-N 0 1 223.316 2.283 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC(C2CC2)CC1 ZINC000653694539 411186175 /nfs/dbraw/zinc/18/61/75/411186175.db2.gz ILOUGXKITJOUCZ-JTQLQIEISA-N 0 1 246.358 2.242 20 0 BEADMN CCOC(C)(C)CN[C@H]1CCCn2ccnc21 ZINC000655758094 411189129 /nfs/dbraw/zinc/18/91/29/411189129.db2.gz QJNSOOMPPYZSBM-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070499514 411195140 /nfs/dbraw/zinc/19/51/40/411195140.db2.gz YFGHCPMUIRTLQP-CQSZACIVSA-N 0 1 247.338 2.470 20 0 BEADMN COc1ccc2c(c1)CN(CC[C@@H]1CCOC1)C2 ZINC000653834171 411196452 /nfs/dbraw/zinc/19/64/52/411196452.db2.gz JSYGGAGWSDDCAZ-GFCCVEGCSA-N 0 1 247.338 2.437 20 0 BEADMN C[C@@H](NCCC1(CO)CCC1)c1cscn1 ZINC000652311589 411197464 /nfs/dbraw/zinc/19/74/64/411197464.db2.gz RBULJGZJQYIIEQ-SNVBAGLBSA-N 0 1 240.372 2.346 20 0 BEADMN CN(Cc1cccnc1)[C@@H]1COC(C)(C)C1 ZINC000660125813 411244898 /nfs/dbraw/zinc/24/48/98/411244898.db2.gz LEXYRJKKXBOCBD-LBPRGKRZSA-N 0 1 220.316 2.081 20 0 BEADMN Cc1noc([C@@H](C)N(C)CC2CC(F)(F)C2)n1 ZINC000653847249 411199259 /nfs/dbraw/zinc/19/92/59/411199259.db2.gz XLFYHSCQPBJTEB-SSDOTTSWSA-N 0 1 245.273 2.416 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@H]1CC=CCC1 ZINC000402197684 411199737 /nfs/dbraw/zinc/19/97/37/411199737.db2.gz IDLOPCQYPACNAG-NSHDSACASA-N 0 1 223.316 2.139 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCC23CCC3)c2ncnn21 ZINC000658099873 411245241 /nfs/dbraw/zinc/24/52/41/411245241.db2.gz CDCKLGKOMFVCTJ-OUAUKWLOSA-N 0 1 232.331 2.206 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2COC3(CCC3)C2)c2nccn21 ZINC000658030471 411207419 /nfs/dbraw/zinc/20/74/19/411207419.db2.gz ZWLMGIDPQLMYMW-GRYCIOLGSA-N 0 1 247.342 2.190 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000658101246 411246070 /nfs/dbraw/zinc/24/60/70/411246070.db2.gz JRZLZHJCEIOKLU-CHWFTXMASA-N 0 1 220.320 2.062 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000658101247 411246111 /nfs/dbraw/zinc/24/61/11/411246111.db2.gz JRZLZHJCEIOKLU-VLEAKVRGSA-N 0 1 220.320 2.062 20 0 BEADMN Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)c(C)c1 ZINC000048752317 411213988 /nfs/dbraw/zinc/21/39/88/411213988.db2.gz AQHKZPRLGNICAZ-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCC2(C)C)c2ncnn21 ZINC000658101574 411246433 /nfs/dbraw/zinc/24/64/33/411246433.db2.gz LTVJLVNAYYIMEK-OPRDCNLKSA-N 0 1 220.320 2.062 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000652366718 411217866 /nfs/dbraw/zinc/21/78/66/411217866.db2.gz LDWCZPAFZBMZBA-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000652366719 411218257 /nfs/dbraw/zinc/21/82/57/411218257.db2.gz LDWCZPAFZBMZBA-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@H](C)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903087 411219601 /nfs/dbraw/zinc/21/96/01/411219601.db2.gz DLYYAPXRDCFETR-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](N[C@H]1COC(C)(C)C1)c1nccn1C ZINC000658056405 411222232 /nfs/dbraw/zinc/22/22/32/411222232.db2.gz BHSLVPXEWONAGT-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](O)CN(Cc1ccc(Cl)o1)C1CC1 ZINC000656280711 411227443 /nfs/dbraw/zinc/22/74/43/411227443.db2.gz HAPAEHDUUAHFRP-QMMMGPOBSA-N 0 1 229.707 2.278 20 0 BEADMN CC[N@@H+](CCCCC(=O)[O-])Cc1ccoc1 ZINC000652408237 411231220 /nfs/dbraw/zinc/23/12/20/411231220.db2.gz OPQVHWFMBLPWRU-UHFFFAOYSA-N 0 1 225.288 2.356 20 0 BEADMN O=C(NCC1CCCC1)c1[nH]nc2c1CCCC2 ZINC000062444873 411232815 /nfs/dbraw/zinc/23/28/15/411232815.db2.gz OBIVEDCKHVGERN-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncccc1C(=O)[O-] ZINC000652418672 411236757 /nfs/dbraw/zinc/23/67/57/411236757.db2.gz GLOFUUFHEAGDCB-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H](COCC1CC1)N[C@H](C)c1cnccn1 ZINC000658090422 411240303 /nfs/dbraw/zinc/24/03/03/411240303.db2.gz IVELYDZSKAFEHA-DGCLKSJQSA-N 0 1 249.358 2.332 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C1CC1 ZINC000652513914 411262647 /nfs/dbraw/zinc/26/26/47/411262647.db2.gz MQDWHWOXVZIQPL-NWDGAFQWSA-N 0 1 243.322 2.169 20 0 BEADMN CCC[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515130 411262667 /nfs/dbraw/zinc/26/26/67/411262667.db2.gz PRVKUVRIFRJPKI-ADEWGFFLSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@H]1C1CC1 ZINC000652514838 411263008 /nfs/dbraw/zinc/26/30/08/411263008.db2.gz DMUYIRAXYDGLEK-FRRDWIJNSA-N 0 1 235.327 2.138 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C/CO)oc1C ZINC000658138521 411263218 /nfs/dbraw/zinc/26/32/18/411263218.db2.gz NULXJHMXAIXBOK-ORAHPGNNSA-N 0 1 209.289 2.096 20 0 BEADMN CN(C)CC(=O)NCc1cccc2ccsc21 ZINC000652518576 411264311 /nfs/dbraw/zinc/26/43/11/411264311.db2.gz GJFKTTOKULJLBH-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN CN(Cc1cn(C2CC2)nn1)C1CCCCC1 ZINC000656456069 411265381 /nfs/dbraw/zinc/26/53/81/411265381.db2.gz XQZRRUPEJUQIJK-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN OC/C=C/CN[C@H]1CCc2c1c(F)ccc2F ZINC000658142668 411265924 /nfs/dbraw/zinc/26/59/24/411265924.db2.gz YHGQSJYNLTUFJS-ISUDXETCSA-N 0 1 239.265 2.090 20 0 BEADMN N[C@@H](c1cn(CCCCF)nn1)c1ccccc1 ZINC000656457795 411266711 /nfs/dbraw/zinc/26/67/11/411266711.db2.gz QYQHFIGMRODUTF-CYBMUJFWSA-N 0 1 248.305 2.076 20 0 BEADMN COc1cc(CN2CC[C@@H](C)[C@@H](C)C2)on1 ZINC000660155316 411267951 /nfs/dbraw/zinc/26/79/51/411267951.db2.gz BGZYWBFFYSESRP-ZJUUUORDSA-N 0 1 224.304 2.161 20 0 BEADMN COc1cc(CN2CC[C@@H](C)[C@H](C)C2)on1 ZINC000660155313 411267991 /nfs/dbraw/zinc/26/79/91/411267991.db2.gz BGZYWBFFYSESRP-NXEZZACHSA-N 0 1 224.304 2.161 20 0 BEADMN N[C@@H](c1cn(C2CCCC2)nn1)c1ccccc1 ZINC000656462616 411270973 /nfs/dbraw/zinc/27/09/73/411270973.db2.gz HFPBVERBPYUZTG-CQSZACIVSA-N 0 1 242.326 2.441 20 0 BEADMN C[C@H]1CN(Cc2nsc3ccccc32)C[C@@H]1O ZINC000660159899 411271474 /nfs/dbraw/zinc/27/14/74/411271474.db2.gz HOYGQMDVWPYPPI-CABZTGNLSA-N 0 1 248.351 2.109 20 0 BEADMN CCc1ccncc1NC(=O)CN(CC)C1CC1 ZINC000652896650 411271872 /nfs/dbraw/zinc/27/18/72/411271872.db2.gz VNVDXWOLVLTJKR-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN CC(C)=CCCN1CCC[C@@H]1c1nncn1C ZINC000660161745 411272346 /nfs/dbraw/zinc/27/23/46/411272346.db2.gz OMSVBTDVTJRIJD-GFCCVEGCSA-N 0 1 234.347 2.308 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H](C)c2nccn2CC)C1 ZINC000658159720 411273112 /nfs/dbraw/zinc/27/31/12/411273112.db2.gz AIXSUELMAMERAT-SRVKXCTJSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)=CCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000659789190 411277661 /nfs/dbraw/zinc/27/76/61/411277661.db2.gz QVCLDDCUTROXEU-LLVKDONJSA-N 0 1 243.372 2.235 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC=CC2)[C@H](C(=O)[O-])C1 ZINC000659790091 411279944 /nfs/dbraw/zinc/27/99/44/411279944.db2.gz WXKSWTKSIVRAMW-JQWIXIFHSA-N 0 1 223.316 2.138 20 0 BEADMN CCC[C@@H](C)NCc1cc(COC)on1 ZINC000656469319 411281024 /nfs/dbraw/zinc/28/10/24/411281024.db2.gz MVGWJVHIGWCHOM-SECBINFHSA-N 0 1 212.293 2.099 20 0 BEADMN CCn1cc(CN[C@H](C)C(C)(C)C(F)F)nn1 ZINC000658176388 411282645 /nfs/dbraw/zinc/28/26/45/411282645.db2.gz JNXCQVCEWCFELP-MRVPVSSYSA-N 0 1 246.305 2.067 20 0 BEADMN O=C([O-])C[N@@H+](CC1=CCCCC1)C1CCC1 ZINC000659792707 411285345 /nfs/dbraw/zinc/28/53/45/411285345.db2.gz WCAMWPVVLGXGNY-UHFFFAOYSA-N 0 1 223.316 2.426 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659800327 411290475 /nfs/dbraw/zinc/29/04/75/411290475.db2.gz RHBUUBZITMQOIT-MWLCHTKSSA-N 0 1 249.285 2.366 20 0 BEADMN C[N@@H+](CCCC1CCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802286 411293916 /nfs/dbraw/zinc/29/39/16/411293916.db2.gz RVFQQZWCQRCBRJ-TXEJJXNPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[C@H](CN[C@H]2CCCn3ccnc32)O1 ZINC000658214553 411296289 /nfs/dbraw/zinc/29/62/89/411296289.db2.gz BRXLONMYAIKUEA-UPJWGTAASA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](NC[C@]1(C)CC1(F)F)c1nccn1C ZINC000658216383 411296744 /nfs/dbraw/zinc/29/67/44/411296744.db2.gz BDBHEBLJEJJGSV-WPRPVWTQSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1nccn1C ZINC000658219981 411299475 /nfs/dbraw/zinc/29/94/75/411299475.db2.gz OWIRRGGKOAKAEH-GRYCIOLGSA-N 0 1 237.347 2.028 20 0 BEADMN CCN1CC[C@@H](N(C)Cc2ccccc2C)C1=O ZINC000659813374 411300511 /nfs/dbraw/zinc/30/05/11/411300511.db2.gz SMFUAGOSYSNZED-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1cc([C@@H](C)NC[C@]2(C)CC2(F)F)nn1C ZINC000658220807 411300565 /nfs/dbraw/zinc/30/05/65/411300565.db2.gz IQKNCEUPWRLBGM-KOLCDFICSA-N 0 1 243.301 2.424 20 0 BEADMN C[C@H](NC[C@@]1(C)CC1(F)F)c1ccn(C)n1 ZINC000658221352 411300836 /nfs/dbraw/zinc/30/08/36/411300836.db2.gz LIOFBHNLSYASHY-WCBMZHEXSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H](Cc1ccco1)c1nc([C@H]2CCCN2)no1 ZINC000656561433 411301951 /nfs/dbraw/zinc/30/19/51/411301951.db2.gz VGMQRYJREURJPK-MWLCHTKSSA-N 0 1 247.298 2.433 20 0 BEADMN C1[C@H]2CCC[C@@H](c3nc([C@@H]4CCCN4)no3)[C@@H]12 ZINC000656560592 411303917 /nfs/dbraw/zinc/30/39/17/411303917.db2.gz BWEFEYJKJKVSCB-ZNSHCXBVSA-N 0 1 233.315 2.398 20 0 BEADMN Cc1ccc(C(=O)N2CCNC[C@H]2C(C)C)cc1 ZINC000062622129 411309899 /nfs/dbraw/zinc/30/98/99/411309899.db2.gz DRCNBJLWNNTVCD-AWEZNQCLSA-N 0 1 246.354 2.065 20 0 BEADMN Cc1cccc(C(=O)N2CCNC[C@@H]2C(C)C)c1 ZINC000062622131 411310452 /nfs/dbraw/zinc/31/04/52/411310452.db2.gz MUHVNCQJNLOTBK-CQSZACIVSA-N 0 1 246.354 2.065 20 0 BEADMN CCc1nc([C@@H](C)N2CCc3ccccc32)n[nH]1 ZINC000659828647 411311415 /nfs/dbraw/zinc/31/14/15/411311415.db2.gz IBGYQZJMFUXZHO-SNVBAGLBSA-N 0 1 242.326 2.491 20 0 BEADMN C[C@H](NC[C@@H](CO)CC1CC1)c1nccs1 ZINC000658246170 411311689 /nfs/dbraw/zinc/31/16/89/411311689.db2.gz BRLSRZWMDRQVKN-ONGXEEELSA-N 0 1 240.372 2.202 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1nccs1 ZINC000658251471 411314782 /nfs/dbraw/zinc/31/47/82/411314782.db2.gz HKGQXDQZMNJOSW-LPEHRKFASA-N 0 1 238.356 2.097 20 0 BEADMN C[C@@H](NC[C@@H](CO)CC1CC1)c1cscn1 ZINC000658253009 411315160 /nfs/dbraw/zinc/31/51/60/411315160.db2.gz MRRUQKIOTHTNDC-KOLCDFICSA-N 0 1 240.372 2.202 20 0 BEADMN CC1(C)[C@@H](CN[C@H]2CCn3ccnc32)C1(F)F ZINC000658280017 411319726 /nfs/dbraw/zinc/31/97/26/411319726.db2.gz CSPYDGALRQHPKZ-DTWKUNHWSA-N 0 1 241.285 2.209 20 0 BEADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccn(C)n1 ZINC000658283216 411321618 /nfs/dbraw/zinc/32/16/18/411321618.db2.gz YPSFUJYPEKKASI-SCZZXKLOSA-N 0 1 243.301 2.362 20 0 BEADMN O=C([O-])CC[N@H+](Cc1ccccc1)CC1CC1 ZINC000652468522 411249052 /nfs/dbraw/zinc/24/90/52/411249052.db2.gz JOXHOPQQXKLHFE-UHFFFAOYSA-N 0 1 233.311 2.373 20 0 BEADMN CCCCn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000656443242 411251377 /nfs/dbraw/zinc/25/13/77/411251377.db2.gz YJSYGYVFIKKMBD-CYBMUJFWSA-N 0 1 248.305 2.265 20 0 BEADMN COCCCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482398 411252660 /nfs/dbraw/zinc/25/26/60/411252660.db2.gz YZWUGKAEMNXPLB-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC[C@@H](C[N@@H+](CC(=O)[O-])C1CCCCC1)OC ZINC000652482300 411253356 /nfs/dbraw/zinc/25/33/56/411253356.db2.gz VYUQDGXTUHVWOT-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000652481449 411253445 /nfs/dbraw/zinc/25/34/45/411253445.db2.gz PEPKIEUOQOPNBZ-HNNXBMFYSA-N 0 1 247.338 2.477 20 0 BEADMN COC(C)(C)CC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000652485054 411254361 /nfs/dbraw/zinc/25/43/61/411254361.db2.gz PJFVSXXDWASZCD-LLVKDONJSA-N 0 1 245.363 2.233 20 0 BEADMN COc1ccc(C)cc1[C@@H](C)NC/C=C/CO ZINC000658131493 411255277 /nfs/dbraw/zinc/25/52/77/411255277.db2.gz CDOKOECEALTMCH-ZYOFXKKJSA-N 0 1 235.327 2.203 20 0 BEADMN CO[C@@H]([C@H](C)N[C@@H]1CCCn2ccnc21)C1CC1 ZINC000655774084 411257022 /nfs/dbraw/zinc/25/70/22/411257022.db2.gz PJPRYLDKQSPBOY-UHTWSYAYSA-N 0 1 249.358 2.121 20 0 BEADMN Cc1ncccc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000652488746 411257127 /nfs/dbraw/zinc/25/71/27/411257127.db2.gz HOSUZXJSARMLCV-JTQLQIEISA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)[C@H](NC/C=C/CO)c1ccc(F)cn1 ZINC000658133859 411257723 /nfs/dbraw/zinc/25/77/23/411257723.db2.gz GTAVNCVIAMVTCT-OOPCZODUSA-N 0 1 238.306 2.056 20 0 BEADMN CC[C@H](C)[N@@H+](CCCOC(C)(C)C)CC(=O)[O-] ZINC000652491856 411258235 /nfs/dbraw/zinc/25/82/35/411258235.db2.gz NCIHCNRKLHPUFA-NSHDSACASA-N 0 1 245.363 2.377 20 0 BEADMN CC(C)[C@@H](NC/C=C\CO)c1ccc(F)cn1 ZINC000658133857 411258406 /nfs/dbraw/zinc/25/84/06/411258406.db2.gz GTAVNCVIAMVTCT-DHCBQETCSA-N 0 1 238.306 2.056 20 0 BEADMN COc1ccc([C@H](C)NC/C=C\CO)c(F)c1 ZINC000658133687 411258510 /nfs/dbraw/zinc/25/85/10/411258510.db2.gz RSMZGMCZIIBLPY-XOULXFPDSA-N 0 1 239.290 2.033 20 0 BEADMN COc1ccc([C@@H](C)NC/C=C/CO)c(F)c1 ZINC000658133685 411258580 /nfs/dbraw/zinc/25/85/80/411258580.db2.gz RSMZGMCZIIBLPY-HMDXOVGESA-N 0 1 239.290 2.033 20 0 BEADMN C[C@H](NC/C=C/CO)c1ccc(F)cc1F ZINC000658135131 411261162 /nfs/dbraw/zinc/26/11/62/411261162.db2.gz SGQFVKXMHJBYHS-HPOULIHZSA-N 0 1 227.254 2.164 20 0 BEADMN O[C@H]1C[C@H](N[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000658348467 411349461 /nfs/dbraw/zinc/34/94/61/411349461.db2.gz QKYYYGBXZMYIOA-JHJVBQTASA-N 0 1 249.358 2.144 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760303 411355276 /nfs/dbraw/zinc/35/52/76/411355276.db2.gz BWBNWBCCGYOJCO-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1 ZINC000656759358 411355342 /nfs/dbraw/zinc/35/53/42/411355342.db2.gz DLRNZEWKGNNDKX-UHFFFAOYSA-N 0 1 245.322 2.352 20 0 BEADMN CC1(C)CN(Cc2cccnc2)CC(C)(C)O1 ZINC000190544100 167961233 /nfs/dbraw/zinc/96/12/33/167961233.db2.gz ODTZFPAUZDEXGU-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN CCC(=O)CCCN1C[C@@H](CC)OC[C@H]1C ZINC000403752383 411357840 /nfs/dbraw/zinc/35/78/40/411357840.db2.gz FSQWPOWMQKYVRJ-DGCLKSJQSA-N 0 1 227.348 2.245 20 0 BEADMN CCc1ccc(C)nc1NCc1cnn(C)c1 ZINC000656778006 411358657 /nfs/dbraw/zinc/35/86/57/411358657.db2.gz KTFFNWJOYBNNGG-UHFFFAOYSA-N 0 1 230.315 2.298 20 0 BEADMN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cn[nH]c2)C1 ZINC000660278587 411364528 /nfs/dbraw/zinc/36/45/28/411364528.db2.gz OIIFHVFGEIDASI-RISCZKNCSA-N 0 1 242.326 2.388 20 0 BEADMN CC[C@@H]1C[N@@H+](CCCCC(=O)[O-])[C@@H](CC)CO1 ZINC000403901212 411365082 /nfs/dbraw/zinc/36/50/82/411365082.db2.gz VMBVCVXDJDCHSO-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN CCOCCN1CCc2sccc2C1 ZINC000123479784 411368113 /nfs/dbraw/zinc/36/81/13/411368113.db2.gz XQJDYTAJYBYDLX-UHFFFAOYSA-N 0 1 211.330 2.143 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)c1ccnc(CN)c1 ZINC000659340464 411368584 /nfs/dbraw/zinc/36/85/84/411368584.db2.gz UOYXYOLEGAQWJC-SNVBAGLBSA-N 0 1 249.358 2.095 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1cc(C2CC2)no1 ZINC000660645034 411368652 /nfs/dbraw/zinc/36/86/52/411368652.db2.gz QUFRZCRFVRYIMP-GFCCVEGCSA-N 0 1 249.358 2.078 20 0 BEADMN Cn1cnnc1CN1CCCC[C@H]1CC1CCC1 ZINC000662157981 411369724 /nfs/dbraw/zinc/36/97/24/411369724.db2.gz RLNYFGBUIGWNKB-ZDUSSCGKSA-N 0 1 248.374 2.360 20 0 BEADMN CCC(CC)c1nc([C@H]2CCCN2)no1 ZINC000070947100 411370715 /nfs/dbraw/zinc/37/07/15/411370715.db2.gz WLQDTWJTXMPDKY-SECBINFHSA-N 0 1 209.293 2.398 20 0 BEADMN CC[C@@H](O)CN1CC[C@H]1c1ccc(F)cc1 ZINC000656709505 411336367 /nfs/dbraw/zinc/33/63/67/411336367.db2.gz XAQDMLMLIMYGDY-OLZOCXBDSA-N 0 1 223.291 2.343 20 0 BEADMN CN(C)c1ccccc1CSc1cn[nH]n1 ZINC000179904930 411372042 /nfs/dbraw/zinc/37/20/42/411372042.db2.gz WBUYKDZBZQFUSM-UHFFFAOYSA-N 0 1 234.328 2.163 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000656715139 411337891 /nfs/dbraw/zinc/33/78/91/411337891.db2.gz SVMUFPCPCJQEAT-AWEZNQCLSA-N 0 1 246.354 2.269 20 0 BEADMN CC1(C)[C@H](NCc2cc(F)ccc2F)C[C@@H]1O ZINC000129363064 168001638 /nfs/dbraw/zinc/00/16/38/168001638.db2.gz WLZIOUOWXVQILO-NEPJUHHUSA-N 0 1 241.281 2.214 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656760871 411345033 /nfs/dbraw/zinc/34/50/33/411345033.db2.gz KYCGDUWRONUNCH-XSRFYTQQSA-N 0 1 225.332 2.218 20 0 BEADMN CC1(CC(=O)NCc2cnc[nH]2)CCCCC1 ZINC000330386960 168017004 /nfs/dbraw/zinc/01/70/04/168017004.db2.gz AUFRELYPZNUCHS-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN CCN(Cc1cc(C2CC2)no1)C[C@@H](C)OC ZINC000660596645 411346176 /nfs/dbraw/zinc/34/61/76/411346176.db2.gz HSCURDBFBPCFDT-SNVBAGLBSA-N 0 1 238.331 2.409 20 0 BEADMN CC1(CCNC(=O)c2cccc3nc[nH]c32)CC1 ZINC000280004080 168020616 /nfs/dbraw/zinc/02/06/16/168020616.db2.gz MLHIMDUDWQXDPP-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN C[C@H](C[N@H+]1CC2CC1(C(=O)[O-])C2)c1ccccc1 ZINC000656761448 411346695 /nfs/dbraw/zinc/34/66/95/411346695.db2.gz SGBFZMKWOFDLPO-XIKARTHZSA-N 0 1 245.322 2.339 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCF)C1 ZINC000656762306 411347083 /nfs/dbraw/zinc/34/70/83/411347083.db2.gz CIMDSQJHWGJHGY-QWRGUYRKSA-N 0 1 231.311 2.311 20 0 BEADMN CC1(C)COCCN1CCOCc1ccccc1 ZINC000659857253 411348607 /nfs/dbraw/zinc/34/86/07/411348607.db2.gz ICPFGKQJYTYKMY-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CC1(NCc2cocn2)Cc2ccccc2C1 ZINC000192340399 168064873 /nfs/dbraw/zinc/06/48/73/168064873.db2.gz WXUSYVGFAVKQMM-UHFFFAOYSA-N 0 1 228.295 2.322 20 0 BEADMN CC1=C(C)CN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000361619646 168082544 /nfs/dbraw/zinc/08/25/44/168082544.db2.gz NVIWQCFHSHRQCI-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN CC1=C(C)CN(Cc2cnc3cnccn23)CC1 ZINC000280435184 168084187 /nfs/dbraw/zinc/08/41/87/168084187.db2.gz CDVANCPOEBKNLE-UHFFFAOYSA-N 0 1 242.326 2.271 20 0 BEADMN CC1=CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000336620014 168096705 /nfs/dbraw/zinc/09/67/05/168096705.db2.gz JOTWIHSGPBRLRP-LLVKDONJSA-N 0 1 245.326 2.008 20 0 BEADMN CC1=CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000230812984 168098468 /nfs/dbraw/zinc/09/84/68/168098468.db2.gz XFZNNZWCOMGLBR-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN CC1=CCCN(Cc2n[nH]c(C(C)C)n2)C1 ZINC000292929218 168100354 /nfs/dbraw/zinc/10/03/54/168100354.db2.gz SXYQWECNXBXCJN-UHFFFAOYSA-N 0 1 220.320 2.080 20 0 BEADMN CC1=CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000339657222 168112899 /nfs/dbraw/zinc/11/28/99/168112899.db2.gz BBDIDBWCNOMCNZ-QGZVFWFLSA-N 0 1 249.379 2.446 20 0 BEADMN CC1=CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000271184383 168114739 /nfs/dbraw/zinc/11/47/39/168114739.db2.gz MMZUFZNYLYCXCK-UHFFFAOYSA-N 0 1 237.372 2.361 20 0 BEADMN CC1=C[C@@H](C)CN(Cc2cnc3cnccn23)C1 ZINC000336547776 168122732 /nfs/dbraw/zinc/12/27/32/168122732.db2.gz OCZNHWSPGGTIJP-LLVKDONJSA-N 0 1 242.326 2.127 20 0 BEADMN CC1=C[C@H](C)CN(Cc2cnc(C)nc2)C1 ZINC000336572758 168127206 /nfs/dbraw/zinc/12/72/06/168127206.db2.gz RYPJVPDAXDDJEH-JTQLQIEISA-N 0 1 217.316 2.183 20 0 BEADMN CCc1nnc([C@H](C)N(C)C[C@@H](C)CC)[nH]1 ZINC000659916539 411381269 /nfs/dbraw/zinc/38/12/69/411381269.db2.gz NBEPYNSCLBVPRK-UWVGGRQHSA-N 0 1 224.352 2.406 20 0 BEADMN CCc1nnc([C@H](C)N(C)C[C@H](C)CC)[nH]1 ZINC000659916542 411381732 /nfs/dbraw/zinc/38/17/32/411381732.db2.gz NBEPYNSCLBVPRK-ZJUUUORDSA-N 0 1 224.352 2.406 20 0 BEADMN CC1CC(NCc2noc3c2CCCC3)C1 ZINC000335606359 168146691 /nfs/dbraw/zinc/14/66/91/168146691.db2.gz ICJJSXFKOUPTSJ-UHFFFAOYSA-N 0 1 220.316 2.442 20 0 BEADMN CC1CCC(O)(CN2CCC=C(F)C2)CC1 ZINC000352780850 168167123 /nfs/dbraw/zinc/16/71/23/168167123.db2.gz WEVDMXYQJNNBCE-UHFFFAOYSA-N 0 1 227.323 2.487 20 0 BEADMN CN(Cc1ccon1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659945582 411389418 /nfs/dbraw/zinc/38/94/18/411389418.db2.gz BOTXFIYAHISZCZ-JGPRNRPPSA-N 0 1 206.289 2.153 20 0 BEADMN CCC(=O)CCN(CC)Cc1ccccn1 ZINC000190275918 168199941 /nfs/dbraw/zinc/19/99/41/168199941.db2.gz WSRJFHORWYWAGK-UHFFFAOYSA-N 0 1 220.316 2.273 20 0 BEADMN CCC(=O)CCN(C)Cc1ccccc1OC ZINC000190177696 168200422 /nfs/dbraw/zinc/20/04/22/168200422.db2.gz IIOXTMAZTFTSEK-UHFFFAOYSA-N 0 1 235.327 2.496 20 0 BEADMN CCC(=O)CCN1CCc2ccsc2C1 ZINC000276865526 168202490 /nfs/dbraw/zinc/20/24/90/168202490.db2.gz KYZXZDQCEBSTJD-UHFFFAOYSA-N 0 1 223.341 2.475 20 0 BEADMN CCC(=O)CCN1CCOCC12CCCC2 ZINC000365175127 168203032 /nfs/dbraw/zinc/20/30/32/168203032.db2.gz DYSYISKLZFKUFL-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN CCC(=O)CCN1CCCC[C@H]1c1ccnn1C ZINC000370019530 168203548 /nfs/dbraw/zinc/20/35/48/168203548.db2.gz LEYMLYXPGXTZDT-AWEZNQCLSA-N 0 1 249.358 2.316 20 0 BEADMN CCC(C)(C)CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000339472034 168271380 /nfs/dbraw/zinc/27/13/80/168271380.db2.gz LIVKNCQVHBFTDS-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000659789001 411454832 /nfs/dbraw/zinc/45/48/32/411454832.db2.gz OVDMHHIFFBBQIQ-VIFPVBQESA-N 0 1 249.301 2.464 20 0 BEADMN CC/C=C/CC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000659792511 411455895 /nfs/dbraw/zinc/45/58/95/411455895.db2.gz BEFFJFGWAPYRDR-ONEGZZNKSA-N 0 1 211.305 2.282 20 0 BEADMN C[C@H](NC[C@H]1CCCO1)c1c(F)cncc1F ZINC000285774996 411456806 /nfs/dbraw/zinc/45/68/06/411456806.db2.gz SGUGTPHPZZAPKH-DTWKUNHWSA-N 0 1 242.269 2.189 20 0 BEADMN C[C@@H](NC[C@H]1CCCO1)c1c(F)cncc1F ZINC000285774999 411456946 /nfs/dbraw/zinc/45/69/46/411456946.db2.gz SGUGTPHPZZAPKH-RKDXNWHRSA-N 0 1 242.269 2.189 20 0 BEADMN O=C([O-])c1ccccc1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799681 411457137 /nfs/dbraw/zinc/45/71/37/411457137.db2.gz GUYJXACSCKVLIH-CHWSQXEVSA-N 0 1 245.322 2.269 20 0 BEADMN O=C([O-])c1ccccc1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799684 411457296 /nfs/dbraw/zinc/45/72/96/411457296.db2.gz GUYJXACSCKVLIH-STQMWFEESA-N 0 1 245.322 2.269 20 0 BEADMN C[C@@H](NC[C@@H]1CCCO1)c1c(F)cncc1F ZINC000285772859 411457386 /nfs/dbraw/zinc/45/73/86/411457386.db2.gz SGUGTPHPZZAPKH-BDAKNGLRSA-N 0 1 242.269 2.189 20 0 BEADMN CC(C)CCC[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802193 411458846 /nfs/dbraw/zinc/45/88/46/411458846.db2.gz RZOIBQJGWJMAJQ-PHIMTYICSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ncc(CNCc2ccsc2)n1C ZINC000657309574 411459285 /nfs/dbraw/zinc/45/92/85/411459285.db2.gz GNBLJUSVYBTONB-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN COc1cc(CN2CCC[C@H](C)[C@@H]2C)on1 ZINC000659950123 411392469 /nfs/dbraw/zinc/39/24/69/411392469.db2.gz LEVFGFKSNXLUMG-UWVGGRQHSA-N 0 1 224.304 2.304 20 0 BEADMN CC[C@]1(C)CN(C[C@@H](O)c2ccccc2)CCO1 ZINC000248874780 411393559 /nfs/dbraw/zinc/39/35/59/411393559.db2.gz CGDSACOKRDZNGL-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCc2ccccc21 ZINC000405017662 411414203 /nfs/dbraw/zinc/41/42/03/411414203.db2.gz LOTWIPQCVCMAAO-LLVKDONJSA-N 0 1 233.311 2.123 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000405037007 411414873 /nfs/dbraw/zinc/41/48/73/411414873.db2.gz REHKHLUJGMQYDE-WDEREUQCSA-N 0 1 233.311 2.121 20 0 BEADMN Fc1cccc2c1CN([C@@H]1CCCOC1)C2 ZINC000657192323 411416822 /nfs/dbraw/zinc/41/68/22/411416822.db2.gz IBEYQDZVCQREKS-LLVKDONJSA-N 0 1 221.275 2.320 20 0 BEADMN CC[C@]1(C)CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000653560753 411421647 /nfs/dbraw/zinc/42/16/47/411421647.db2.gz BQWIQKHHRMYTNP-BXUZGUMPSA-N 0 1 248.374 2.462 20 0 BEADMN CCCC(C)(C)NC(=O)[C@@H](C)N1CC(C)C1 ZINC000654657322 411423973 /nfs/dbraw/zinc/42/39/73/411423973.db2.gz ADWZXFPOQOJIDT-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269962309 411425561 /nfs/dbraw/zinc/42/55/61/411425561.db2.gz YUMXJFWPTKANAQ-UHFFFAOYSA-N 0 1 230.271 2.066 20 0 BEADMN CCc1nc([C@H](C)Sc2ncc(C)cn2)n[nH]1 ZINC000657245113 411425856 /nfs/dbraw/zinc/42/58/56/411425856.db2.gz ULXWPNUBKDYVNT-QMMMGPOBSA-N 0 1 249.343 2.319 20 0 BEADMN CCc1nnc(SC[C@H](OC)C2CCC2)[nH]1 ZINC000657239902 411428859 /nfs/dbraw/zinc/42/88/59/411428859.db2.gz WOMGVGQELCWZBN-VIFPVBQESA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@H](OC)C2CCC2)n1 ZINC000657239902 411428861 /nfs/dbraw/zinc/42/88/61/411428861.db2.gz WOMGVGQELCWZBN-VIFPVBQESA-N 0 1 241.360 2.274 20 0 BEADMN CN(CCO[C@H]1CC1(F)F)Cc1ccco1 ZINC000659817302 411462855 /nfs/dbraw/zinc/46/28/55/411462855.db2.gz WUMBNPMCMZJQTK-JTQLQIEISA-N 0 1 231.242 2.136 20 0 BEADMN CC(C)CCN(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052882242 411430759 /nfs/dbraw/zinc/43/07/59/411430759.db2.gz HRFQABQTENCUOM-HNNXBMFYSA-N 0 1 248.370 2.365 20 0 BEADMN CCC(C)(C)CCn1[nH]c(SC)nc1=O ZINC000657258395 411431836 /nfs/dbraw/zinc/43/18/36/411431836.db2.gz IJMOAWCABRWDFL-UHFFFAOYSA-N 0 1 229.349 2.120 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000654706297 411433816 /nfs/dbraw/zinc/43/38/16/411433816.db2.gz POSRNPAWVQJCPE-WDSKDSINSA-N 0 1 227.210 2.265 20 0 BEADMN CO[C@H](CSc1cn[nH]n1)C1CCCC1 ZINC000657251906 411434925 /nfs/dbraw/zinc/43/49/25/411434925.db2.gz MTKHDWBMXIVYHK-SECBINFHSA-N 0 1 227.333 2.102 20 0 BEADMN CCc1nc([C@H](C)Sc2cnccn2)n[nH]1 ZINC000657251654 411435074 /nfs/dbraw/zinc/43/50/74/411435074.db2.gz QNNVMPJDBCCOQX-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1nc([C@H](C)Sc2cccnn2)n[nH]1 ZINC000657254431 411435728 /nfs/dbraw/zinc/43/57/28/411435728.db2.gz ALXOLRYKHZXKHR-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N1CC(C)C1)c1ccccc1 ZINC000654757540 411439552 /nfs/dbraw/zinc/43/95/52/411439552.db2.gz UQWBOYCRRLSARE-STQMWFEESA-N 0 1 246.354 2.204 20 0 BEADMN CC[C@@H](CC(=O)N1CCN[C@@H](C)C1)C(C)(C)C ZINC000637842602 411444190 /nfs/dbraw/zinc/44/41/90/411444190.db2.gz UXEWOAOSRHVVMC-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)N(CC1CCC1)C(=O)c1cnc[nH]1 ZINC000277532366 411445227 /nfs/dbraw/zinc/44/52/27/411445227.db2.gz ABVNYJFEMMLCNZ-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1c[nH]c(CNCCOc2cccc(C)c2)n1 ZINC000657293325 411449866 /nfs/dbraw/zinc/44/98/66/411449866.db2.gz ZTEZOXUKINIGRV-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN CCc1ccc(CN2CCC[C@@H]3COC[C@@H]32)nc1 ZINC000657293627 411450399 /nfs/dbraw/zinc/45/03/99/411450399.db2.gz IQRZDIDCLZKCTF-HIFRSBDPSA-N 0 1 246.354 2.255 20 0 BEADMN CC[C@H]1CN(Cc2cnc(C)s2)CCCO1 ZINC000281155439 411452456 /nfs/dbraw/zinc/45/24/56/411452456.db2.gz FRRWRHJKLNIAHU-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000659789831 411454721 /nfs/dbraw/zinc/45/47/21/411454721.db2.gz MMJLFHWLNAMMGE-YDNLMGDJSA-N 0 1 247.285 2.217 20 0 BEADMN CN1CCN(Cc2nsc3ccccc32)CC1 ZINC000659832404 411467942 /nfs/dbraw/zinc/46/79/42/411467942.db2.gz QVQCFRJSCVHUBS-UHFFFAOYSA-N 0 1 247.367 2.044 20 0 BEADMN CCc1nc([C@@H](C)N2C3CCC2CC3)n[nH]1 ZINC000659836050 411469739 /nfs/dbraw/zinc/46/97/39/411469739.db2.gz TXEDPBOCDQFNJK-XNWIYYODSA-N 0 1 220.320 2.055 20 0 BEADMN CCC(O)(CC)CNCc1nccn1C(C)C ZINC000657337342 411472264 /nfs/dbraw/zinc/47/22/64/411472264.db2.gz RJZUVLLKBWMMTR-UHFFFAOYSA-N 0 1 239.363 2.105 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@H](C)N1CC(C)C1 ZINC000655003605 411474921 /nfs/dbraw/zinc/47/49/21/411474921.db2.gz ITUMNMCYFRTIKE-NEPJUHHUSA-N 0 1 238.375 2.022 20 0 BEADMN CC1(C)C[C@@H](N2CCOc3ccccc3C2)CO1 ZINC000659848957 411476359 /nfs/dbraw/zinc/47/63/59/411476359.db2.gz COJJMKFYGZJDMG-CYBMUJFWSA-N 0 1 247.338 2.449 20 0 BEADMN CCC[C@](C)(O)CNCc1nccn1C(C)C ZINC000657360206 411477116 /nfs/dbraw/zinc/47/71/16/411477116.db2.gz YYEBULANIRKSHB-ZDUSSCGKSA-N 0 1 239.363 2.105 20 0 BEADMN CCN(CCOC)Cc1cnc2ccccc2n1 ZINC000659854330 411478579 /nfs/dbraw/zinc/47/85/79/411478579.db2.gz SYQJSBMLASCJCU-UHFFFAOYSA-N 0 1 245.326 2.098 20 0 BEADMN COC[C@@H](C)N(C)Cc1cc(OC)ccc1F ZINC000295515378 411478628 /nfs/dbraw/zinc/47/86/28/411478628.db2.gz ZNPPUIQEJIMIAO-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN CCc1nnc([C@@H](C)N(C)CC(C)C)[nH]1 ZINC000659856269 411480494 /nfs/dbraw/zinc/48/04/94/411480494.db2.gz BTKHANUNRIHSEM-SECBINFHSA-N 0 1 210.325 2.016 20 0 BEADMN CC[C@@H]1C[C@H](NCc2ncc(C)s2)CO1 ZINC000657375991 411485792 /nfs/dbraw/zinc/48/57/92/411485792.db2.gz HAHHDGDBELTUBJ-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2nc(C)c(C)s2)CO1 ZINC000657383816 411488882 /nfs/dbraw/zinc/48/88/82/411488882.db2.gz LCMBEBXJIMKGRG-GHMZBOCLSA-N 0 1 240.372 2.417 20 0 BEADMN CC(C)n1ccnc1CNC[C@@H]1CCCS1 ZINC000657393818 411492220 /nfs/dbraw/zinc/49/22/20/411492220.db2.gz ZGPPCSLKMYCVLB-NSHDSACASA-N 0 1 239.388 2.449 20 0 BEADMN Cc1nc(CN[C@H]2CCC(F)(F)C2)[nH]c1C ZINC000657397557 411494610 /nfs/dbraw/zinc/49/46/10/411494610.db2.gz ATHYGWVOXYWJDX-VIFPVBQESA-N 0 1 229.274 2.304 20 0 BEADMN NC(=O)CN(CCC1CCC1)Cc1ccccc1 ZINC000659922290 411499495 /nfs/dbraw/zinc/49/94/95/411499495.db2.gz ISSNFFOTBFLUPA-UHFFFAOYSA-N 0 1 246.354 2.164 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cnccc2C)n1C ZINC000657425686 411504792 /nfs/dbraw/zinc/50/47/92/411504792.db2.gz SEQVLBWXNUCYEZ-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN c1c(CN[C@@H]2CC23CCCC3)nn2c1CCC2 ZINC000657448094 411513592 /nfs/dbraw/zinc/51/35/92/411513592.db2.gz HCMGGNJSTZRSEY-CYBMUJFWSA-N 0 1 231.343 2.252 20 0 BEADMN C[C@@H](COCC1CC1)N[C@H]1CCCn2ccnc21 ZINC000655792532 411516438 /nfs/dbraw/zinc/51/64/38/411516438.db2.gz KRKKEPCIZRYTKA-AAEUAGOBSA-N 0 1 249.358 2.123 20 0 BEADMN CCOC[C@@H]1CCN(Cc2nc(C)oc2C)C1 ZINC000659982761 411518044 /nfs/dbraw/zinc/51/80/44/411518044.db2.gz WGMYKHUNXGZRAK-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CCC(CC)(CNCc1nc(C)c[nH]1)OC ZINC000657474025 411524118 /nfs/dbraw/zinc/52/41/18/411524118.db2.gz YGAPUJBOVHWKPD-UHFFFAOYSA-N 0 1 225.336 2.013 20 0 BEADMN Cc1nc(CN2CC[C@H](C(C)C)C2)co1 ZINC000659997199 411524287 /nfs/dbraw/zinc/52/42/87/411524287.db2.gz RKHGRGKQFMLLPY-NSHDSACASA-N 0 1 208.305 2.461 20 0 BEADMN CC(C)n1ccnc1CN[C@@H](C)CC(C)(C)O ZINC000657479443 411527822 /nfs/dbraw/zinc/52/78/22/411527822.db2.gz KEHZBTYHGRTRPZ-NSHDSACASA-N 0 1 239.363 2.103 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCOCc1ccccc1 ZINC000660014041 411528864 /nfs/dbraw/zinc/52/88/64/411528864.db2.gz ZVTAQIFZCWOSKT-KGLIPLIRSA-N 0 1 249.354 2.312 20 0 BEADMN CC1(C2(NCc3cn(C4CCC4)nn3)CC2)CC1 ZINC000657485750 411529807 /nfs/dbraw/zinc/52/98/07/411529807.db2.gz RBVXXYURVQDARU-UHFFFAOYSA-N 0 1 246.358 2.425 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)CO1 ZINC000657485104 411530355 /nfs/dbraw/zinc/53/03/55/411530355.db2.gz WXSUPJBRPMSXCP-NNYUYHANSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1occc1CNCc1cnc2n1CCC2 ZINC000657325081 411465228 /nfs/dbraw/zinc/46/52/28/411465228.db2.gz AFBIIEJRZJNTRS-UHFFFAOYSA-N 0 1 231.299 2.021 20 0 BEADMN CC[C@]1(NCc2cc(C3CC3)no2)CCOC1 ZINC000660404012 411465515 /nfs/dbraw/zinc/46/55/15/411465515.db2.gz VQVILKNQSDNKSO-ZDUSSCGKSA-N 0 1 236.315 2.211 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000307107782 411466794 /nfs/dbraw/zinc/46/67/94/411466794.db2.gz GDICGVWQOLOPGH-NSHDSACASA-N 0 1 209.289 2.036 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCS[C@@H]1C ZINC000657501017 411538398 /nfs/dbraw/zinc/53/83/98/411538398.db2.gz UOEFEILYLIAAKD-MNOVXSKESA-N 0 1 239.388 2.448 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@@H](C)O)c(C)o1 ZINC000660123253 411540711 /nfs/dbraw/zinc/54/07/11/411540711.db2.gz JCUHUHYXZJTRJG-SKDRFNHKSA-N 0 1 238.331 2.027 20 0 BEADMN CN(Cc1cc(C2CC2)no1)[C@H]1CCSC1 ZINC000660128348 411541950 /nfs/dbraw/zinc/54/19/50/411541950.db2.gz LLHFATPEXKICAW-JTQLQIEISA-N 0 1 238.356 2.489 20 0 BEADMN CCNC(=O)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000269649673 170054862 /nfs/dbraw/zinc/05/48/62/170054862.db2.gz UZYYEQXQJYSWCT-LBPRGKRZSA-N 0 1 246.354 2.348 20 0 BEADMN CCNC(=O)CN(CC)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361301104 170057095 /nfs/dbraw/zinc/05/70/95/170057095.db2.gz UOJNLXQDPLYJBY-ZIAGYGMSSA-N 0 1 246.354 2.001 20 0 BEADMN COc1cc(CN(C)[C@@H]2CCSC2)sn1 ZINC000660130073 411542584 /nfs/dbraw/zinc/54/25/84/411542584.db2.gz VDDMAPIXHMAXHE-MRVPVSSYSA-N 0 1 244.385 2.089 20 0 BEADMN CCNC(=O)CN(CC)Cc1cccc(CC)c1 ZINC000188633577 170057325 /nfs/dbraw/zinc/05/73/25/170057325.db2.gz ATXFPJJVXZOGMV-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCNC(=O)CN(CC)Cc1c(C)cccc1C ZINC000154323703 170057413 /nfs/dbraw/zinc/05/74/13/170057413.db2.gz ICTYKMUGEMBXLP-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCNC(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000036780275 170064590 /nfs/dbraw/zinc/06/45/90/170064590.db2.gz AHHGZJIQKLWDQJ-VIFPVBQESA-N 0 1 240.372 2.152 20 0 BEADMN CN(Cc1nccn1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660138701 411543701 /nfs/dbraw/zinc/54/37/01/411543701.db2.gz XFSPTXKNWXMMKW-UPJWGTAASA-N 0 1 233.359 2.288 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1 ZINC000035138861 170089461 /nfs/dbraw/zinc/08/94/61/170089461.db2.gz WLLLEPLXSBEGED-NXEZZACHSA-N 0 1 238.306 2.001 20 0 BEADMN CCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000264109141 170099157 /nfs/dbraw/zinc/09/91/57/170099157.db2.gz OIAUNSMKDRUJIP-ZDUSSCGKSA-N 0 1 234.343 2.206 20 0 BEADMN CCNCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000044626072 170129886 /nfs/dbraw/zinc/12/98/86/170129886.db2.gz WETOZAABCGZYFX-UHFFFAOYSA-N 0 1 239.225 2.124 20 0 BEADMN CCNCc1nc(-c2cccc(OCC)c2)no1 ZINC000044626016 170130749 /nfs/dbraw/zinc/13/07/49/170130749.db2.gz KWZSGYKFFIALDW-UHFFFAOYSA-N 0 1 247.298 2.245 20 0 BEADMN CCNCc1csc(-c2ccccn2)n1 ZINC000035054490 170130825 /nfs/dbraw/zinc/13/08/25/170130825.db2.gz OUTVRRQOTCAHDP-UHFFFAOYSA-N 0 1 219.313 2.315 20 0 BEADMN CCc1ccc(C)nc1N[C@H](C)COC ZINC000657578892 411553836 /nfs/dbraw/zinc/55/38/36/411553836.db2.gz MVGAKMPLCXGEBS-SNVBAGLBSA-N 0 1 208.305 2.399 20 0 BEADMN CCCCN(CCCO)Cc1nc(C)oc1C ZINC000660209741 411553955 /nfs/dbraw/zinc/55/39/55/411553955.db2.gz NIIMPZMKEKLYRN-UHFFFAOYSA-N 0 1 240.347 2.276 20 0 BEADMN CN(Cc1ncc[nH]1)CC12CCC(CC1)C2 ZINC000660143619 411544864 /nfs/dbraw/zinc/54/48/64/411544864.db2.gz XUWALYNFZLWUNE-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1nocc1CN1CC[C@@H](C(F)F)C1 ZINC000660146579 411544879 /nfs/dbraw/zinc/54/48/79/411544879.db2.gz HXCCDLWGHQYGSE-MRVPVSSYSA-N 0 1 216.231 2.070 20 0 BEADMN CCc1nnc([C@@H](C)N2CCC3(CC3)CC2)[nH]1 ZINC000660144556 411544887 /nfs/dbraw/zinc/54/48/87/411544887.db2.gz GQHMJMAPVJNDDI-SNVBAGLBSA-N 0 1 234.347 2.304 20 0 BEADMN CCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000036916881 170159687 /nfs/dbraw/zinc/15/96/87/170159687.db2.gz JPZICYHBRCTGTK-SECBINFHSA-N 0 1 248.305 2.385 20 0 BEADMN Cc1nc(CN2CCC[C@]2(C)CCCO)co1 ZINC000660160088 411548722 /nfs/dbraw/zinc/54/87/22/411548722.db2.gz LNGSYPJZZQXSFS-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN Cn1cnnc1[C@H]1CCCN1CCC1CCC1 ZINC000660161071 411549514 /nfs/dbraw/zinc/54/95/14/411549514.db2.gz FTIDXTFSBWVVJN-GFCCVEGCSA-N 0 1 234.347 2.142 20 0 BEADMN Cc1nc(CN(C)CC2CCOCC2)c(C)o1 ZINC000660162420 411549658 /nfs/dbraw/zinc/54/96/58/411549658.db2.gz WWQXLQKZJXPFQB-UHFFFAOYSA-N 0 1 238.331 2.150 20 0 BEADMN CC(C)(C)c1cccc(CNC2(C(N)=O)CC2)c1 ZINC000660226193 411556332 /nfs/dbraw/zinc/55/63/32/411556332.db2.gz VGNMJMQDCVUBMK-UHFFFAOYSA-N 0 1 246.354 2.092 20 0 BEADMN CCc1nc([C@H](C)N2CCCC3(CC3)C2)n[nH]1 ZINC000660304892 411566068 /nfs/dbraw/zinc/56/60/68/411566068.db2.gz IKXUGEFNUVOAHI-JTQLQIEISA-N 0 1 234.347 2.304 20 0 BEADMN CCOC(=O)CN(CC)CC(CC)CC ZINC000042337958 170216857 /nfs/dbraw/zinc/21/68/57/170216857.db2.gz YJFTUDPUCAINRC-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CCOC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000371618038 170221873 /nfs/dbraw/zinc/22/18/73/170221873.db2.gz CMRYEILAFKYOBM-AAEUAGOBSA-N 0 1 225.332 2.062 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1cc(C2CC2)no1 ZINC000660236978 411556663 /nfs/dbraw/zinc/55/66/63/411556663.db2.gz UYBJXTKONXEJMM-GFCCVEGCSA-N 0 1 238.331 2.049 20 0 BEADMN CCOC(=O)[C@@H](C)N(CC(C)C)C1CC1 ZINC000043638855 170247609 /nfs/dbraw/zinc/24/76/09/170247609.db2.gz JXDCRZNFDCKRCP-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)CCCSC ZINC000300767024 170249818 /nfs/dbraw/zinc/24/98/18/170249818.db2.gz USNPLSDOZNMMED-SNVBAGLBSA-N 0 1 233.377 2.013 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNC/C=C\CO)o1 ZINC000657593216 411558991 /nfs/dbraw/zinc/55/89/91/411558991.db2.gz QFZJZTJZFVUKRO-IRSQKABVSA-N 0 1 221.300 2.041 20 0 BEADMN OC/C=C\CNCc1sccc1Cl ZINC000657594025 411560088 /nfs/dbraw/zinc/56/00/88/411560088.db2.gz MAIFKICIHYSKHG-UPHRSURJSA-N 0 1 217.721 2.040 20 0 BEADMN CC(C)COc1ccccc1CNC/C=C/CO ZINC000657594775 411560496 /nfs/dbraw/zinc/56/04/96/411560496.db2.gz UPKFPNJEDQWJCM-AATRIKPKSA-N 0 1 249.354 2.360 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](CSC)C1 ZINC000309324674 170266402 /nfs/dbraw/zinc/26/64/02/170266402.db2.gz HVGOIWHFBZKPMU-QWRGUYRKSA-N 0 1 245.388 2.013 20 0 BEADMN CC[C@H](NCc1nc(C)oc1C)[C@H]1CCCO1 ZINC000660260934 411561407 /nfs/dbraw/zinc/56/14/07/411561407.db2.gz XDOYCPAAWBWKCJ-WCQYABFASA-N 0 1 238.331 2.339 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2ncc(C)o2)n[nH]1 ZINC000660268118 411562206 /nfs/dbraw/zinc/56/22/06/411562206.db2.gz DCIOYDAFRSJHNL-RKDXNWHRSA-N 0 1 249.318 2.075 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2ncc(C)o2)n[nH]1 ZINC000660268112 411562652 /nfs/dbraw/zinc/56/26/52/411562652.db2.gz DCIOYDAFRSJHNL-DTWKUNHWSA-N 0 1 249.318 2.075 20 0 BEADMN Cc1ccoc1CNCCO[C@@H]1CC1(F)F ZINC000657619303 411565096 /nfs/dbraw/zinc/56/50/96/411565096.db2.gz UTPPZUGUARIWSX-SNVBAGLBSA-N 0 1 231.242 2.102 20 0 BEADMN CCc1ccc(CNCCO[C@H]2CC2(F)F)o1 ZINC000657618842 411565320 /nfs/dbraw/zinc/56/53/20/411565320.db2.gz IQJMCJUIZQIMGI-NSHDSACASA-N 0 1 245.269 2.356 20 0 BEADMN CCOC(=O)c1ccc(CN(CC)C2CC2)o1 ZINC000180103251 170295523 /nfs/dbraw/zinc/29/55/23/170295523.db2.gz GJKNXALUEJIAHA-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CCC1CCC1 ZINC000660336783 411571496 /nfs/dbraw/zinc/57/14/96/411571496.db2.gz QADCJANHJKOLBC-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCOC(=O)c1coc(CN2C[C@H]3CCC[C@@H]32)c1 ZINC000353651766 170304077 /nfs/dbraw/zinc/30/40/77/170304077.db2.gz CJIXQMSAMKJPNA-MFKMUULPSA-N 0 1 249.310 2.441 20 0 BEADMN CCOC(C)(C)CNCc1csc(C)n1 ZINC000159147693 170313600 /nfs/dbraw/zinc/31/36/00/170313600.db2.gz ZYDPYKRRLNXYGO-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CCOC1CC(N(C)Cc2scnc2C)C1 ZINC000280897529 170328038 /nfs/dbraw/zinc/32/80/38/170328038.db2.gz DNNXQOWDFXAQRV-UHFFFAOYSA-N 0 1 240.372 2.451 20 0 BEADMN COc1ccnc(CNCC2(C)CC2)c1F ZINC000657675051 411575503 /nfs/dbraw/zinc/57/55/03/411575503.db2.gz XNDMPWPBNAMJTQ-UHFFFAOYSA-N 0 1 224.279 2.119 20 0 BEADMN CCOCC(C)(C)NCc1nc(C)cs1 ZINC000293134072 170356043 /nfs/dbraw/zinc/35/60/43/170356043.db2.gz CGMAAHQGHVOQRU-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CO[C@H](CN1CCC(=O)[C@H](C)C1)C1CCCC1 ZINC000660322590 411568592 /nfs/dbraw/zinc/56/85/92/411568592.db2.gz MDIOWPUUMRGYND-BXUZGUMPSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1nc(CN2CC[C@@H]3CCC[C@@H]32)co1 ZINC000660332086 411570043 /nfs/dbraw/zinc/57/00/43/411570043.db2.gz GAFJQPUOXOOTDC-JQWIXIFHSA-N 0 1 206.289 2.357 20 0 BEADMN CN(CC1CC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764346 411623116 /nfs/dbraw/zinc/62/31/16/411623116.db2.gz NGMYWTYKFAQECP-CYBMUJFWSA-N 0 1 242.326 2.236 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000663317405 411623146 /nfs/dbraw/zinc/62/31/46/411623146.db2.gz NEZGISFGWMKNRU-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CCOCCN(C)Cc1sc(C)nc1C ZINC000093316205 170390917 /nfs/dbraw/zinc/39/09/17/170390917.db2.gz JVCFCICEMPSAQN-UHFFFAOYSA-N 0 1 228.361 2.228 20 0 BEADMN CCOCCN(C)[C@@H](C)c1cccnc1 ZINC000119794719 170392188 /nfs/dbraw/zinc/39/21/88/170392188.db2.gz RWJRDBZWAMLSCA-NSHDSACASA-N 0 1 208.305 2.111 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])o1)C[C@H]1CC1(C)C ZINC000663316237 411623247 /nfs/dbraw/zinc/62/32/47/411623247.db2.gz CNWNCHOOIMGNLE-SECBINFHSA-N 0 1 237.299 2.456 20 0 BEADMN CCOCCN(CC)Cc1ccc(F)nc1C ZINC000278519316 170396005 /nfs/dbraw/zinc/39/60/05/170396005.db2.gz XVCXZGCOLWHFLP-UHFFFAOYSA-N 0 1 240.322 2.388 20 0 BEADMN CCOCCN(CCOC)Cc1ccc(C)o1 ZINC000125139906 170397240 /nfs/dbraw/zinc/39/72/40/170397240.db2.gz PRLNGYOSPSIAIW-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN C[N@H+](Cc1ccoc1C(=O)[O-])C[C@@H]1CC1(C)C ZINC000663318273 411624206 /nfs/dbraw/zinc/62/42/06/411624206.db2.gz UZPVGSCHKPLHLL-JTQLQIEISA-N 0 1 237.299 2.456 20 0 BEADMN CCN(CC(N)=O)Cc1cccc(C(C)C)c1 ZINC000660393706 411578225 /nfs/dbraw/zinc/57/82/25/411578225.db2.gz RJHSPVGJXQHSMU-UHFFFAOYSA-N 0 1 234.343 2.117 20 0 BEADMN CCC[C@@]1(CO)CCCN1Cc1coc(C)n1 ZINC000660422548 411583116 /nfs/dbraw/zinc/58/31/16/411583116.db2.gz FLMFFYLIVVZTCF-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN CCc1cc(CC)n(-c2ccncc2)n1 ZINC000131648746 411584248 /nfs/dbraw/zinc/58/42/48/411584248.db2.gz SKHRQGDRVJPTNU-UHFFFAOYSA-N 0 1 201.273 2.392 20 0 BEADMN Cc1nc(CNC[C@H]2C(C)(C)C2(F)F)[nH]c1C ZINC000657739296 411588660 /nfs/dbraw/zinc/58/86/60/411588660.db2.gz RCNZKUZRJSTILB-VIFPVBQESA-N 0 1 243.301 2.407 20 0 BEADMN CC([NH2+]Cc1ccn[nH]1)(C1CC1)C1CC1 ZINC000657756332 411590350 /nfs/dbraw/zinc/59/03/50/411590350.db2.gz RVSQARTWGXZQRU-UHFFFAOYSA-N 0 1 205.305 2.078 20 0 BEADMN CCc1nocc1CNCC1=CCCC1 ZINC000657749777 411592358 /nfs/dbraw/zinc/59/23/58/411592358.db2.gz MLXQHQLISQIMMN-UHFFFAOYSA-N 0 1 206.289 2.437 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccccc1F ZINC000657788604 411595922 /nfs/dbraw/zinc/59/59/22/411595922.db2.gz JZGQKOQTUNXTBE-NEPJUHHUSA-N 0 1 209.264 2.093 20 0 BEADMN CCOC[C@H](NCc1nc(C)oc1C)C(C)C ZINC000660525573 411595932 /nfs/dbraw/zinc/59/59/32/411595932.db2.gz LRHLFZSBDMIKRL-ZDUSSCGKSA-N 0 1 240.347 2.442 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(C)ccc1F ZINC000657788415 411596042 /nfs/dbraw/zinc/59/60/42/411596042.db2.gz PWQZVHGMTSKNFX-OLZOCXBDSA-N 0 1 223.291 2.401 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cn(C(C)C)nc1C ZINC000657790992 411597677 /nfs/dbraw/zinc/59/76/77/411597677.db2.gz ZCXCNCNNLTYWDW-OLZOCXBDSA-N 0 1 237.347 2.039 20 0 BEADMN c1n[nH]cc1CN1CCC=C(c2cccnc2)C1 ZINC000660551782 411598912 /nfs/dbraw/zinc/59/89/12/411598912.db2.gz ISNOGHQDVKAIFK-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN CCOC1CC(N(C)Cc2cc(C)nc(C)n2)C1 ZINC000660555248 411599792 /nfs/dbraw/zinc/59/97/92/411599792.db2.gz VGAAJKKWCXNBNB-UHFFFAOYSA-N 0 1 249.358 2.093 20 0 BEADMN C[C@H](O)[C@@H](NCc1cccnc1)c1ccccc1 ZINC000657814321 411604284 /nfs/dbraw/zinc/60/42/84/411604284.db2.gz DVVFXROUYDSGPO-SWLSCSKDSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](N[C@H]1CCCn2nccc21)c1ccncc1 ZINC000657819760 411605988 /nfs/dbraw/zinc/60/59/88/411605988.db2.gz YTUWTYGNEIAMKV-AAEUAGOBSA-N 0 1 242.326 2.464 20 0 BEADMN C[C@@H](O)[C@H](NCc1cncs1)c1ccccc1 ZINC000657819807 411606382 /nfs/dbraw/zinc/60/63/82/411606382.db2.gz UEXWOZWJJRXDLA-MFKMUULPSA-N 0 1 248.351 2.355 20 0 BEADMN CCc1nc([C@H](C)N(C)Cc2occc2C)n[nH]1 ZINC000660613494 411606921 /nfs/dbraw/zinc/60/69/21/411606921.db2.gz DDFRHZULMUUOKQ-JTQLQIEISA-N 0 1 248.330 2.462 20 0 BEADMN CCc1nocc1CN(C)C(C)(C)COC ZINC000660615937 411608104 /nfs/dbraw/zinc/60/81/04/411608104.db2.gz ZNPAHXXNTICJIR-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN c1cc(CN2CCC[C@H](c3ccccn3)C2)n[nH]1 ZINC000660627639 411609514 /nfs/dbraw/zinc/60/95/14/411609514.db2.gz VONUILWHHGFAKD-LBPRGKRZSA-N 0 1 242.326 2.184 20 0 BEADMN Cc1cc(CN[C@@H]2CCCC23CC3)no1 ZINC000657851136 411612240 /nfs/dbraw/zinc/61/22/40/411612240.db2.gz MLTCWEZCQVEXJV-LLVKDONJSA-N 0 1 206.289 2.405 20 0 BEADMN Cc1ncc(CN[C@H]2CCCn3nccc32)s1 ZINC000657872615 411615365 /nfs/dbraw/zinc/61/53/65/411615365.db2.gz RPECMDRWWLMXGD-NSHDSACASA-N 0 1 248.355 2.273 20 0 BEADMN CN(CC1CC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764347 411622578 /nfs/dbraw/zinc/62/25/78/411622578.db2.gz NGMYWTYKFAQECP-ZDUSSCGKSA-N 0 1 242.326 2.236 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1nccs1 ZINC000661106287 411710211 /nfs/dbraw/zinc/71/02/11/411710211.db2.gz GZPCZLMJIVBTFJ-SECBINFHSA-N 0 1 241.360 2.202 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)Nc1nccs1 ZINC000661106287 411710214 /nfs/dbraw/zinc/71/02/14/411710214.db2.gz GZPCZLMJIVBTFJ-SECBINFHSA-N 0 1 241.360 2.202 20 0 BEADMN O[C@H]1CCN(Cc2cncs2)C2(CCC2)C1 ZINC000660835280 411650833 /nfs/dbraw/zinc/65/08/33/411650833.db2.gz IJUUAXROYOGASZ-JTQLQIEISA-N 0 1 238.356 2.023 20 0 BEADMN CC[C@H](c1ccccc1)[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660850747 411657150 /nfs/dbraw/zinc/65/71/50/411657150.db2.gz XIIFDLOWTKWVEL-LLVKDONJSA-N 0 1 247.298 2.358 20 0 BEADMN CCn1nccc1CN[C@@H](C)c1cncc(C)c1 ZINC000663470022 411667058 /nfs/dbraw/zinc/66/70/58/411667058.db2.gz MSEZKVLBQMENOG-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CC(C)=CCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000660923263 411675314 /nfs/dbraw/zinc/67/53/14/411675314.db2.gz NWFUARWZZLZHMM-CHWSQXEVSA-N 0 1 239.359 2.221 20 0 BEADMN COc1cncc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660929521 411679893 /nfs/dbraw/zinc/67/98/93/411679893.db2.gz BSHPZNIMZFLFJJ-JSGCOSHPSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930900 411681274 /nfs/dbraw/zinc/68/12/74/411681274.db2.gz LBAPUQOEIARFOK-WOPDTQHZSA-N 0 1 247.342 2.426 20 0 BEADMN Cc1nc([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660933949 411684596 /nfs/dbraw/zinc/68/45/96/411684596.db2.gz HUVUFVFZEHJAEA-MIMYLULJSA-N 0 1 220.320 2.049 20 0 BEADMN COc1ccc(F)cc1CN(C)Cc1cnc[nH]1 ZINC000661085263 411697894 /nfs/dbraw/zinc/69/78/94/411697894.db2.gz JBNWAMWOWZAJPQ-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN COCc1cccc(CN(C)Cc2cnc[nH]2)c1 ZINC000661088899 411699175 /nfs/dbraw/zinc/69/91/75/411699175.db2.gz PRWWQMYKZMAXKQ-UHFFFAOYSA-N 0 1 245.326 2.188 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@H]1CCC2(CCCC2)O1 ZINC000661089996 411702779 /nfs/dbraw/zinc/70/27/79/411702779.db2.gz KQBHYGSXFISOQK-CYBMUJFWSA-N 0 1 249.358 2.333 20 0 BEADMN CCCCOCCN1CCO[C@@](C)(C2CC2)C1 ZINC000661171805 411728574 /nfs/dbraw/zinc/72/85/74/411728574.db2.gz XZVFKCMFFAIMEI-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@](C)(C3CC3)C2)O1 ZINC000661170497 411728869 /nfs/dbraw/zinc/72/88/69/411728869.db2.gz XIMZLNRUNJOEMF-XBFCOCLRSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H](O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000661510000 411791886 /nfs/dbraw/zinc/79/18/86/411791886.db2.gz SAZZDZQNORLORJ-MFKMUULPSA-N 0 1 223.291 2.343 20 0 BEADMN Fc1ccc([C@@H]2CCN2CCn2cccn2)cc1 ZINC000661506608 411792299 /nfs/dbraw/zinc/79/22/99/411792299.db2.gz GFNKPPLLSJFFIJ-AWEZNQCLSA-N 0 1 245.301 2.469 20 0 BEADMN Cn1cnc(CN2CCC(C3CCC3)CC2)c1 ZINC000661373787 411757377 /nfs/dbraw/zinc/75/73/77/411757377.db2.gz HNCSCXSZFFHKRX-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)Nc2cnccn2)n[nH]1 ZINC000663841984 411760163 /nfs/dbraw/zinc/76/01/63/411760163.db2.gz UPFXBBOPMCLSEM-DTWKUNHWSA-N 0 1 246.318 2.281 20 0 BEADMN C[C@H](CO)[C@@H]1CCCCN1Cc1nccs1 ZINC000661440509 411778317 /nfs/dbraw/zinc/77/83/17/411778317.db2.gz DJXKTZXTASPINP-MNOVXSKESA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1COC2(CCC2)C[N@H+]1CC[C@H]1CCCO1 ZINC000661469588 411782347 /nfs/dbraw/zinc/78/23/47/411782347.db2.gz NTFKUTVCYVOZGI-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@@H]1COC2(CCC2)C[N@H+]1CC[C@@H]1CCCO1 ZINC000661469589 411782530 /nfs/dbraw/zinc/78/25/30/411782530.db2.gz NTFKUTVCYVOZGI-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN CC(C)[C@H](NCc1c[nH]nn1)c1ccccc1F ZINC000661482742 411785300 /nfs/dbraw/zinc/78/53/00/411785300.db2.gz CECLNBPMKKTWQS-ZDUSSCGKSA-N 0 1 248.305 2.431 20 0 BEADMN Cn1c(=O)[nH]nc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000663948887 411788308 /nfs/dbraw/zinc/78/83/08/411788308.db2.gz IYSWRQFEOGMETE-HRDYMLBCSA-N 0 1 239.344 2.049 20 0 BEADMN C[C@@H]1CCCN(Cc2nccs2)[C@@H]1CCO ZINC000661497113 411789420 /nfs/dbraw/zinc/78/94/20/411789420.db2.gz HZXNVCLHVQISHC-GHMZBOCLSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CN(CCCOC(C)(C)C)C[C@@H](C)C1=O ZINC000661547704 411799898 /nfs/dbraw/zinc/79/98/98/411799898.db2.gz AQLVNHYHBKJZSF-VXGBXAGGSA-N 0 1 241.375 2.349 20 0 BEADMN CCCn1ncnc1COc1cc(C)nc(C)c1 ZINC000663984036 411801281 /nfs/dbraw/zinc/80/12/81/411801281.db2.gz BEYDQMOGEZUADI-UHFFFAOYSA-N 0 1 246.314 2.279 20 0 BEADMN Cc1cc(CN2CCC[C@@H](CCF)C2)nn1C ZINC000661688713 411838849 /nfs/dbraw/zinc/83/88/49/411838849.db2.gz KXXFEVZTYIIIAF-LBPRGKRZSA-N 0 1 239.338 2.300 20 0 BEADMN CCOc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000661714086 411854521 /nfs/dbraw/zinc/85/45/21/411854521.db2.gz POVIPJJAWXIEKG-DZGCQCFKSA-N 0 1 247.338 2.042 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H](C)O1 ZINC000661851358 411902155 /nfs/dbraw/zinc/90/21/55/411902155.db2.gz SQHQXOJHUJRVMO-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN C[C@@H]1CCN(Cc2cncs2)C[C@H](C)O1 ZINC000661851358 411902159 /nfs/dbraw/zinc/90/21/59/411902159.db2.gz SQHQXOJHUJRVMO-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN CC(C)COCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852770 411902242 /nfs/dbraw/zinc/90/22/42/411902242.db2.gz GKWQCTPJVLVVRD-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1ccc2oc(N(C)CC3CN(C)C3)nc2c1 ZINC000664331021 411923351 /nfs/dbraw/zinc/92/33/51/411923351.db2.gz NLRNPENFJKEOBT-UHFFFAOYSA-N 0 1 245.326 2.134 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N1CC[C@H]2C[C@H]2C1 ZINC000661971997 411928597 /nfs/dbraw/zinc/92/85/97/411928597.db2.gz KIORBIPYFZVAQN-AGIUHOORSA-N 0 1 244.338 2.355 20 0 BEADMN CC[C@@H](CN[C@@H](C)c1cscn1)OC ZINC000290178935 170830315 /nfs/dbraw/zinc/83/03/15/170830315.db2.gz NJASUHRWGAXPHV-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000664386941 411938346 /nfs/dbraw/zinc/93/83/46/411938346.db2.gz SSEPLCWKADGOCP-UTLUCORTSA-N 0 1 243.314 2.153 20 0 BEADMN CC[C@@H]([NH2+]Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000661760901 411871101 /nfs/dbraw/zinc/87/11/01/411871101.db2.gz AUMXPVQLNIMRFJ-GFCCVEGCSA-N 0 1 247.342 2.338 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661773883 411882577 /nfs/dbraw/zinc/88/25/77/411882577.db2.gz KMYUSLUSPDFTQB-TZMCWYRMSA-N 0 1 249.354 2.349 20 0 BEADMN Nc1nc2c(c(NCC3=CCCC3)n1)CCCC2 ZINC000664542910 411981354 /nfs/dbraw/zinc/98/13/54/411981354.db2.gz JAWKRLSJKIVXKR-UHFFFAOYSA-N 0 1 244.342 2.460 20 0 BEADMN C[C@@H](c1nncn1C)N(CCC1CC1)CC1CC1 ZINC000662178039 412019957 /nfs/dbraw/zinc/01/99/57/412019957.db2.gz QAILRZZNTPOZDS-NSHDSACASA-N 0 1 248.374 2.388 20 0 BEADMN CCCCN1CCOc2ccc(O)cc2C1 ZINC000662101125 411988909 /nfs/dbraw/zinc/98/89/09/411988909.db2.gz IDRCDWOUAOKGNL-UHFFFAOYSA-N 0 1 221.300 2.387 20 0 BEADMN CCC[C@@H](C)N1CCc2nccnc2C1 ZINC000662120347 411991996 /nfs/dbraw/zinc/99/19/96/411991996.db2.gz CUKMMQNCBVBTLA-SNVBAGLBSA-N 0 1 205.305 2.023 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2ccc(C)cn2)n[nH]1 ZINC000664656852 412007034 /nfs/dbraw/zinc/00/70/34/412007034.db2.gz IRIRTOZOQOIRFI-SNVBAGLBSA-N 0 1 245.330 2.010 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1ncnn1CC ZINC000662159633 412013303 /nfs/dbraw/zinc/01/33/03/412013303.db2.gz AMDORAOXUIYEIJ-NWDGAFQWSA-N 0 1 236.363 2.451 20 0 BEADMN CCC(CC)CCCN(C)Cc1cnnn1C ZINC000662037797 411954665 /nfs/dbraw/zinc/95/46/65/411954665.db2.gz NDTFVMFPUGIJSV-UHFFFAOYSA-N 0 1 238.379 2.463 20 0 BEADMN Nc1ccnc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000662044670 411962624 /nfs/dbraw/zinc/96/26/24/411962624.db2.gz SBXVWEQBIISIAF-GFCCVEGCSA-N 0 1 246.358 2.071 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662204185 412026038 /nfs/dbraw/zinc/02/60/38/412026038.db2.gz GUUXIOVAAOCUBY-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCC1 ZINC000662211703 412026224 /nfs/dbraw/zinc/02/62/24/412026224.db2.gz DTVOWNJSZOOYFE-UTUOFQBUSA-N 0 1 237.343 2.362 20 0 BEADMN COCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823899 412026855 /nfs/dbraw/zinc/02/68/55/412026855.db2.gz QVIXTDMSAVECJI-GFCCVEGCSA-N 0 1 220.316 2.111 20 0 BEADMN C[C@H](CO)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821011 412026954 /nfs/dbraw/zinc/02/69/54/412026954.db2.gz BYAXQNONVBQBDJ-AAEUAGOBSA-N 0 1 234.343 2.093 20 0 BEADMN CO[C@@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822981 412027247 /nfs/dbraw/zinc/02/72/47/412027247.db2.gz LCLABFYNRJBLPL-AAEUAGOBSA-N 0 1 234.343 2.499 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662213335 412027577 /nfs/dbraw/zinc/02/75/77/412027577.db2.gz ZVAYPPRZCMYKOB-WCQYABFASA-N 0 1 233.311 2.339 20 0 BEADMN COCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831411 412028626 /nfs/dbraw/zinc/02/86/26/412028626.db2.gz DKJWSFGLCOLGLO-GFCCVEGCSA-N 0 1 220.316 2.111 20 0 BEADMN COC[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664832737 412028683 /nfs/dbraw/zinc/02/86/83/412028683.db2.gz HWKHQCMQGCSTFY-WCQYABFASA-N 0 1 234.343 2.499 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000662218332 412029292 /nfs/dbraw/zinc/02/92/92/412029292.db2.gz ZLWDHTUFACYJAG-BDAKNGLRSA-N 0 1 237.290 2.463 20 0 BEADMN CC(C)=CCC[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000662215808 412029621 /nfs/dbraw/zinc/02/96/21/412029621.db2.gz PAILQVZNKWBFBT-RYUDHWBXSA-N 0 1 225.332 2.385 20 0 BEADMN COCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831412 412029903 /nfs/dbraw/zinc/02/99/03/412029903.db2.gz DKJWSFGLCOLGLO-LBPRGKRZSA-N 0 1 220.316 2.111 20 0 BEADMN CC1(C)CC[N@@H+](CC(=O)[O-])CC(C)(C)C1 ZINC000662227821 412032699 /nfs/dbraw/zinc/03/26/99/412032699.db2.gz VUKYHSMQTSLORE-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ncccc1CN1CCCc2n[nH]cc2C1 ZINC000664860814 412034505 /nfs/dbraw/zinc/03/45/05/412034505.db2.gz JUEAUMJBXPGGJP-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2C)C1 ZINC000295866446 171004363 /nfs/dbraw/zinc/00/43/63/171004363.db2.gz XDQFCCDASJIPOC-OCCSQVGLSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cccc2n[nH]cc21 ZINC000293851354 171023051 /nfs/dbraw/zinc/02/30/51/171023051.db2.gz BVIRRICSIRNCIB-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2)C[C@H](C)O1 ZINC000111273732 171084901 /nfs/dbraw/zinc/08/49/01/171084901.db2.gz MSCXVQPAQLAMPG-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1COCCN1CC1CC(F)(F)C1 ZINC000335152750 171106436 /nfs/dbraw/zinc/10/64/36/171106436.db2.gz DPFUTSIVPMPWJM-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN CC[C@@H]1C[C@@H](CN(C)Cc2cc[nH]n2)CCO1 ZINC000357001689 171119213 /nfs/dbraw/zinc/11/92/13/171119213.db2.gz XXQUDXUYNHPMKF-WCQYABFASA-N 0 1 237.347 2.047 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(C2CC2)[nH]1 ZINC000185669819 171157774 /nfs/dbraw/zinc/15/77/74/171157774.db2.gz ZDRXKUNAQKKFHI-GXSJLCMTSA-N 0 1 234.347 2.303 20 0 BEADMN CC[C@@](C)(NCCOC)c1nc(C)cs1 ZINC000053289035 171175528 /nfs/dbraw/zinc/17/55/28/171175528.db2.gz RGNKLQOPTLGPHM-LLVKDONJSA-N 0 1 228.361 2.313 20 0 BEADMN CC[C@@]1(C)COCCN1CCc1cccnc1 ZINC000340885794 171205241 /nfs/dbraw/zinc/20/52/41/171205241.db2.gz QMJBLTWYXZFJNA-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN CC[C@@]1(C)COCCN1Cc1ccn(C)c1 ZINC000335372807 171206660 /nfs/dbraw/zinc/20/66/60/171206660.db2.gz SDGTYHNYBGBZGK-ZDUSSCGKSA-N 0 1 222.332 2.026 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(Cl)o2)C1 ZINC000336516898 171214428 /nfs/dbraw/zinc/21/44/28/171214428.db2.gz HVLHQGJWFWXICF-LLVKDONJSA-N 0 1 229.707 2.280 20 0 BEADMN CC[C@H](C(=O)Nc1cccc(F)c1F)N(C)C ZINC000268749518 171235638 /nfs/dbraw/zinc/23/56/38/171235638.db2.gz UHLSZSNUQSOZFD-SNVBAGLBSA-N 0 1 242.269 2.244 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1 ZINC000037374399 171236274 /nfs/dbraw/zinc/23/62/74/171236274.db2.gz ULCYLBUZGFAARW-LLVKDONJSA-N 0 1 225.263 2.121 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](CC)CCc1cccs1 ZINC000262460846 171236361 /nfs/dbraw/zinc/23/63/61/171236361.db2.gz VUBZWDJTZBZOMQ-LLVKDONJSA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccs1 ZINC000037374525 171236468 /nfs/dbraw/zinc/23/64/68/171236468.db2.gz IRSDJIWSCRDIKP-SECBINFHSA-N 0 1 213.302 2.043 20 0 BEADMN CC[C@H](C)CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000359925770 171259246 /nfs/dbraw/zinc/25/92/46/171259246.db2.gz OMHKMTDVQWLZNT-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000276845772 171261863 /nfs/dbraw/zinc/26/18/63/171261863.db2.gz WZZKDGCYCHXMQC-GXSJLCMTSA-N 0 1 235.331 2.340 20 0 BEADMN CC[C@H](C)CCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286407162 171267629 /nfs/dbraw/zinc/26/76/29/171267629.db2.gz OVLYAEVYEYAWCG-IUCAKERBSA-N 0 1 238.335 2.117 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H](N)c1ccccc1 ZINC000037173419 171270590 /nfs/dbraw/zinc/27/05/90/171270590.db2.gz AZUPSRVDCAYZIB-AAEUAGOBSA-N 0 1 234.343 2.191 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000171867676 171271919 /nfs/dbraw/zinc/27/19/19/171271919.db2.gz KIQQPXYKWNXOIA-VIFPVBQESA-N 0 1 235.331 2.405 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nccnc1OC ZINC000294758939 171278600 /nfs/dbraw/zinc/27/86/00/171278600.db2.gz IQANKLHILKZUCZ-NSHDSACASA-N 0 1 237.347 2.353 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000300228321 171281884 /nfs/dbraw/zinc/28/18/84/171281884.db2.gz MQFNVYYNDWAMFB-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)CN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352892756 171283105 /nfs/dbraw/zinc/28/31/05/171283105.db2.gz KTBANGLXFQUNQU-JUFZMCDQSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@H](C)CNC(C)(C)c1nc(C)no1 ZINC000336722340 171284265 /nfs/dbraw/zinc/28/42/65/171284265.db2.gz DWMAWXRPDBGMIS-QMMMGPOBSA-N 0 1 211.309 2.249 20 0 BEADMN CC[C@H](C)N(CCCCF)CC(=O)OC ZINC000352422743 171314202 /nfs/dbraw/zinc/31/42/02/171314202.db2.gz UTCBOVSEGYIOBL-JTQLQIEISA-N 0 1 219.300 2.010 20 0 BEADMN CC[C@H](C)N(CCO)Cc1nc(C)sc1C ZINC000336646097 171315379 /nfs/dbraw/zinc/31/53/79/171315379.db2.gz DQFIPWFSHIGHAL-VIFPVBQESA-N 0 1 242.388 2.353 20 0 BEADMN CC[C@H](C)NC(=O)CN1CCC(C2CC2)CC1 ZINC000368338385 171325501 /nfs/dbraw/zinc/32/55/01/171325501.db2.gz USCWCYBIHDGCTA-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)NC(=O)CNC1(c2ccccc2)CC1 ZINC000263994864 171326379 /nfs/dbraw/zinc/32/63/79/171326379.db2.gz LOQWXTJLAFOGDN-LBPRGKRZSA-N 0 1 246.354 2.180 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000361619218 171331653 /nfs/dbraw/zinc/33/16/53/171331653.db2.gz LZHCNNHTCXXDSB-QWHCGFSZSA-N 0 1 238.375 2.332 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000035206465 171332689 /nfs/dbraw/zinc/33/26/89/171332689.db2.gz IOEJHQFTEMCYEB-SDDRHHMPSA-N 0 1 249.358 2.035 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1cccs1 ZINC000036984170 171332898 /nfs/dbraw/zinc/33/28/98/171332898.db2.gz ZCDFLKMBSWOCSM-VHSXEESVSA-N 0 1 240.372 2.141 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000361619220 171333519 /nfs/dbraw/zinc/33/35/19/171333519.db2.gz LZHCNNHTCXXDSB-STQMWFEESA-N 0 1 238.375 2.332 20 0 BEADMN CC[C@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000189605566 171338549 /nfs/dbraw/zinc/33/85/49/171338549.db2.gz MFKVHQUBWMOZTB-VIFPVBQESA-N 0 1 235.331 2.207 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284010066 171363677 /nfs/dbraw/zinc/36/36/77/171363677.db2.gz QSGOXOHHOKESCX-WDEREUQCSA-N 0 1 245.326 2.499 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@@H](C)c1nccn1C)OC ZINC000362975917 171368788 /nfs/dbraw/zinc/36/87/88/171368788.db2.gz HPRZLDVGETXSEG-SDDRHHMPSA-N 0 1 239.363 2.132 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(CC)C[C@H]1C ZINC000341794788 171383611 /nfs/dbraw/zinc/38/36/11/171383611.db2.gz CWHQRBYYGFSXMC-XQQFMLRXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356791080 171383655 /nfs/dbraw/zinc/38/36/55/171383655.db2.gz UPMMTSPDAJYJGI-ZDEQEGDKSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000356808146 171385451 /nfs/dbraw/zinc/38/54/51/171385451.db2.gz XJRFWGREDJTPFR-DCAQKATOSA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000082718145 171386292 /nfs/dbraw/zinc/38/62/92/171386292.db2.gz PWBMGFZRMJECHB-UWVGGRQHSA-N 0 1 213.321 2.360 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000265621002 171386343 /nfs/dbraw/zinc/38/63/43/171386343.db2.gz NJYAWIIKXZNBBS-UWVGGRQHSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H](N)c1ccccc1 ZINC000129393178 171387270 /nfs/dbraw/zinc/38/72/70/171387270.db2.gz VLFMBXRNQRBIRH-GVXVVHGQSA-N 0 1 234.343 2.237 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052882840 171387891 /nfs/dbraw/zinc/38/78/91/171387891.db2.gz JIEDBGIMIZSLEG-SLEUVZQESA-N 0 1 248.370 2.411 20 0 BEADMN N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1F ZINC000662325353 412102716 /nfs/dbraw/zinc/10/27/16/412102716.db2.gz FDKJPPCLRNPPNJ-HUUCEWRRSA-N 0 1 248.345 2.435 20 0 BEADMN CC(C)c1nc(CN(C)C[C@H]2CC2(C)C)n[nH]1 ZINC000662343557 412111742 /nfs/dbraw/zinc/11/17/42/412111742.db2.gz LTGYPKJUIMRXKP-SNVBAGLBSA-N 0 1 236.363 2.406 20 0 BEADMN COc1cc(CN(C)C[C@@H]2CC2(C)C)on1 ZINC000662343224 412111823 /nfs/dbraw/zinc/11/18/23/412111823.db2.gz JFPDQNWNOBHINJ-VIFPVBQESA-N 0 1 224.304 2.161 20 0 BEADMN Cc1nnsc1CN(C)C[C@@H]1CC1(C)C ZINC000662343579 412112386 /nfs/dbraw/zinc/11/23/86/412112386.db2.gz MHQIAELIWLJJRC-VIFPVBQESA-N 0 1 225.361 2.324 20 0 BEADMN C[C@H]1CN(CCCCF)C[C@](C)(C(F)F)O1 ZINC000662359632 412124053 /nfs/dbraw/zinc/12/40/53/412124053.db2.gz MGINHNZNGSGPOU-GXSJLCMTSA-N 0 1 239.281 2.481 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@@H]1CCC1(C)C ZINC000662551558 412213205 /nfs/dbraw/zinc/21/32/05/412213205.db2.gz DPKZMMFQTJIJSW-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)[C@@H]1CCC1(C)C ZINC000662551560 412213722 /nfs/dbraw/zinc/21/37/22/412213722.db2.gz DPKZMMFQTJIJSW-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1cccc(C(=O)N2CCN[C@@H](C)C2)c1 ZINC000662419047 412159472 /nfs/dbraw/zinc/15/94/72/412159472.db2.gz VCCDQOZUJHTBBG-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000665284438 412232460 /nfs/dbraw/zinc/23/24/60/412232460.db2.gz LCDJTRJCNHRZHP-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C3CCC3)C2)nc1 ZINC000665288169 412233831 /nfs/dbraw/zinc/23/38/31/412233831.db2.gz GGXVZNCDTWAVIJ-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN Cn1cccc1C(=O)CN1CC[C@H](C2CCC2)C1 ZINC000665288333 412233849 /nfs/dbraw/zinc/23/38/49/412233849.db2.gz KIUJGGCYQDXKAO-ZDUSSCGKSA-N 0 1 246.354 2.330 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@@H](C3CCC3)C2)[nH]1 ZINC000665289902 412235063 /nfs/dbraw/zinc/23/50/63/412235063.db2.gz ATAHVSDVCHQUFY-BXKDBHETSA-N 0 1 234.347 2.296 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CN)c1 ZINC000662733331 412287870 /nfs/dbraw/zinc/28/78/70/412287870.db2.gz GIBVJMZVDCUNEQ-CLYYMRHHSA-N 0 1 248.326 2.141 20 0 BEADMN Cc1cccc(N2C[C@H](C(=O)[O-])CC[C@H]2C)[nH+]1 ZINC000662892741 412337615 /nfs/dbraw/zinc/33/76/15/412337615.db2.gz HPGACQBGDXZTRX-GHMZBOCLSA-N 0 1 234.299 2.080 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000662770776 412297270 /nfs/dbraw/zinc/29/72/70/412297270.db2.gz XCIAAECTSCYUJO-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1ccc(C[N@@H+](CC)CC(=O)[O-])cc1 ZINC000032013867 171796202 /nfs/dbraw/zinc/79/62/02/171796202.db2.gz NQTAREPMCSTTAF-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1cncn1C ZINC000358504168 171928518 /nfs/dbraw/zinc/92/85/18/171928518.db2.gz HKTHPJUVXQCCLF-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN CCc1nc([C@H](C)NCC[C@H](C)O)cs1 ZINC000309050528 172006338 /nfs/dbraw/zinc/00/63/38/172006338.db2.gz QUCZBOHAZXJBKH-IUCAKERBSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nnc(SC2C[C@@H](C)O[C@H](C)C2)[nH]1 ZINC000338539768 172000359 /nfs/dbraw/zinc/00/03/59/172000359.db2.gz MCKOQOBJTIWQFD-HTQZYQBOSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1n[nH]c(SC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000338539768 172000361 /nfs/dbraw/zinc/00/03/61/172000361.db2.gz MCKOQOBJTIWQFD-HTQZYQBOSA-N 0 1 241.360 2.415 20 0 BEADMN CCc1nnc(S[C@H]2CCC[C@@H]2OC)[nH]1 ZINC000338539133 172000390 /nfs/dbraw/zinc/00/03/90/172000390.db2.gz FORAXMZUCMTUHU-YUMQZZPRSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCC[C@@H]2OC)n1 ZINC000338539133 172000391 /nfs/dbraw/zinc/00/03/91/172000391.db2.gz FORAXMZUCMTUHU-YUMQZZPRSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)COC)cs1 ZINC000164997205 172001784 /nfs/dbraw/zinc/00/17/84/172001784.db2.gz IZXLLOFYNYWNOX-RKDXNWHRSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccncc2)n[nH]1 ZINC000358245269 172002356 /nfs/dbraw/zinc/00/23/56/172002356.db2.gz HJSNBSHBQURGBE-VHSXEESVSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@@H](C)NCC2(C)COC2)cs1 ZINC000309408102 172002490 /nfs/dbraw/zinc/00/24/90/172002490.db2.gz BFLJHPFWJHGMDO-SECBINFHSA-N 0 1 240.372 2.393 20 0 BEADMN CCc1nnc([C@@H](C)NC2CC(C)(C)C2)[nH]1 ZINC000331782895 172002959 /nfs/dbraw/zinc/00/29/59/172002959.db2.gz OBSOXJVAMLDXIG-MRVPVSSYSA-N 0 1 222.336 2.206 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)COC)cs1 ZINC000164997067 172005924 /nfs/dbraw/zinc/00/59/24/172005924.db2.gz IZXLLOFYNYWNOX-IUCAKERBSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2ccncc2)n[nH]1 ZINC000358245264 172006744 /nfs/dbraw/zinc/00/67/44/172006744.db2.gz HJSNBSHBQURGBE-UWVGGRQHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2ccco2)n[nH]1 ZINC000271502189 172007915 /nfs/dbraw/zinc/00/79/15/172007915.db2.gz MEPNXTWBPMTDQM-BDAKNGLRSA-N 0 1 234.303 2.372 20 0 BEADMN CCc1ncc(CN2CCC[C@@](C)(O)C2)s1 ZINC000271216437 172017794 /nfs/dbraw/zinc/01/77/94/172017794.db2.gz WXBCXQVQBILXBP-GFCCVEGCSA-N 0 1 240.372 2.052 20 0 BEADMN CCc1nnc(CN(CC2CC2)C2CCC2)o1 ZINC000361572657 172047663 /nfs/dbraw/zinc/04/76/63/172047663.db2.gz VDBFBAIHTYQRRT-UHFFFAOYSA-N 0 1 235.331 2.397 20 0 BEADMN CCc1nnc(CN2C[C@@H](C)CC2(C)C)o1 ZINC000336449857 172050119 /nfs/dbraw/zinc/05/01/19/172050119.db2.gz MIALEQHUVGFIBK-VIFPVBQESA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000339674904 172051256 /nfs/dbraw/zinc/05/12/56/172051256.db2.gz WIUJFIKAOBWZRO-LLVKDONJSA-N 0 1 235.331 2.254 20 0 BEADMN CCc1nnc(CNC(CC)CC)s1 ZINC000336668419 172051694 /nfs/dbraw/zinc/05/16/94/172051694.db2.gz XCLXLCCRBDQYDS-UHFFFAOYSA-N 0 1 213.350 2.379 20 0 BEADMN CCc1nnc(CNC[C@@H](C)CC)s1 ZINC000308618928 172052360 /nfs/dbraw/zinc/05/23/60/172052360.db2.gz SLOQSWPUQSIHSJ-QMMMGPOBSA-N 0 1 213.350 2.236 20 0 BEADMN CCc1nnc(CN2[C@@H](C)CCC2(C)C)o1 ZINC000336303146 172052715 /nfs/dbraw/zinc/05/27/15/172052715.db2.gz SCGWRBGWYQHEKT-VIFPVBQESA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(SCCc2cscn2)[nH]1 ZINC000287442903 172062773 /nfs/dbraw/zinc/06/27/73/172062773.db2.gz FUXLPPXWFDJGEY-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CCc1n[nH]c(SCCc2cscn2)n1 ZINC000287442903 172062775 /nfs/dbraw/zinc/06/27/75/172062775.db2.gz FUXLPPXWFDJGEY-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CCc1nnc(SCc2ccc(CO)cc2)[nH]1 ZINC000272278058 172062894 /nfs/dbraw/zinc/06/28/94/172062894.db2.gz ZLUHWLGPJABBKC-UHFFFAOYSA-N 0 1 249.339 2.152 20 0 BEADMN CCc1n[nH]c(SCc2ccc(CO)cc2)n1 ZINC000272278058 172062895 /nfs/dbraw/zinc/06/28/95/172062895.db2.gz ZLUHWLGPJABBKC-UHFFFAOYSA-N 0 1 249.339 2.152 20 0 BEADMN CCc1nc(SCc2nc(C)cs2)n[nH]1 ZINC000173328219 172064626 /nfs/dbraw/zinc/06/46/26/172064626.db2.gz ZIYCGJPOVAOGRS-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1n[nH]c(SCc2nc(C)cs2)n1 ZINC000173328219 172064627 /nfs/dbraw/zinc/06/46/27/172064627.db2.gz ZIYCGJPOVAOGRS-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1noc(C)c1CN(C)[C@@H]1CCSC1 ZINC000162666395 172075659 /nfs/dbraw/zinc/07/56/59/172075659.db2.gz IQDQRUAPUXYLNR-SNVBAGLBSA-N 0 1 240.372 2.483 20 0 BEADMN CCc1noc(C)c1CN1C[C@@H](C)[C@@H]1C ZINC000293478876 172077593 /nfs/dbraw/zinc/07/75/93/172077593.db2.gz RQWHIVNMYPWVSO-BDAKNGLRSA-N 0 1 208.305 2.386 20 0 BEADMN CCc1nocc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000353109379 172097238 /nfs/dbraw/zinc/09/72/38/172097238.db2.gz JRQUDELKSBDMMX-GXFFZTMASA-N 0 1 238.331 2.094 20 0 BEADMN CCc1nocc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000353109381 172098494 /nfs/dbraw/zinc/09/84/94/172098494.db2.gz JRQUDELKSBDMMX-ZWNOBZJWSA-N 0 1 238.331 2.094 20 0 BEADMN CCc1nocc1CNCc1ccc(O)cc1 ZINC000339220384 172101503 /nfs/dbraw/zinc/10/15/03/172101503.db2.gz VNIFLFPJPSJCFS-UHFFFAOYSA-N 0 1 232.283 2.232 20 0 BEADMN CCn1cc(CN2CCC(CF)CC2)cn1 ZINC000295025764 172162006 /nfs/dbraw/zinc/16/20/06/172162006.db2.gz LEAXEGNWGHAZQI-UHFFFAOYSA-N 0 1 225.311 2.085 20 0 BEADMN CCn1ccnc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000367459668 172219179 /nfs/dbraw/zinc/21/91/79/172219179.db2.gz VIDYGCBLLRRPLG-QWHCGFSZSA-N 0 1 249.358 2.046 20 0 BEADMN CCn1nccc1CN(C)[C@@H](C)CCSC ZINC000129015363 172263943 /nfs/dbraw/zinc/26/39/43/172263943.db2.gz BAPMDNTWYPKSFE-NSHDSACASA-N 0 1 241.404 2.476 20 0 BEADMN CCn1nccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000120513469 172268585 /nfs/dbraw/zinc/26/85/85/172268585.db2.gz YOMXUHUKKPWNHM-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1nccc1NC(=O)c1c(O)cccc1F ZINC000336509114 172276686 /nfs/dbraw/zinc/27/66/86/172276686.db2.gz CHEMOMJADQHDFN-UHFFFAOYSA-N 0 1 249.245 2.000 20 0 BEADMN CCn1nnc(C)c1CN1CCC(C)=C(C)C1 ZINC000336229014 172286939 /nfs/dbraw/zinc/28/69/39/172286939.db2.gz PHVWVKYIPXRPSX-UHFFFAOYSA-N 0 1 234.347 2.149 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000110065912 173024951 /nfs/dbraw/zinc/02/49/51/173024951.db2.gz JOSNIBZDHAOBHK-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC1(C)C ZINC000360853933 173050480 /nfs/dbraw/zinc/05/04/80/173050480.db2.gz SNSWSBYYNQGWOW-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Fc1cccc(F)c1CCNCc1cc[nH]n1 ZINC000066973434 1173057234 /nfs/dbraw/zinc/05/72/34/1173057234.db2.gz MTFSGIIUEOIJJC-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000042561352 173302855 /nfs/dbraw/zinc/30/28/55/173302855.db2.gz CNAZADWBSUOVHR-BQBZGAKWSA-N 0 1 246.763 2.187 20 0 BEADMN CNC(C)(C)c1nc(-c2ccccc2)no1 ZINC000061151329 173321650 /nfs/dbraw/zinc/32/16/50/173321650.db2.gz KLUCUSUCEBDPPW-UHFFFAOYSA-N 0 1 217.272 2.191 20 0 BEADMN CNCc1nc(-c2ccc3ncccc3c2)no1 ZINC000062801471 173395293 /nfs/dbraw/zinc/39/52/93/173395293.db2.gz PBKXFXUUWMKJNM-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CCC1(CC)CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000087256709 487627312 /nfs/dbraw/zinc/62/73/12/487627312.db2.gz OJXYULWUWNNORU-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN Fc1ccccc1OCCCNCc1cc[nH]n1 ZINC000066972716 1173059826 /nfs/dbraw/zinc/05/98/26/1173059826.db2.gz JBHDGMWWGQPHGB-UHFFFAOYSA-N 0 1 249.289 2.108 20 0 BEADMN COC1(CN[C@@H](C)c2nccn2C)CCCC1 ZINC000336665720 174003249 /nfs/dbraw/zinc/00/32/49/174003249.db2.gz YWHCCZIIKSMIHV-NSHDSACASA-N 0 1 237.347 2.030 20 0 BEADMN COC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000345350508 174003854 /nfs/dbraw/zinc/00/38/54/174003854.db2.gz HNAAAODWIHQXOE-WDEREUQCSA-N 0 1 235.331 2.048 20 0 BEADMN COC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000271056258 174030580 /nfs/dbraw/zinc/03/05/80/174030580.db2.gz ZVJKZEWDEABDTM-UHFFFAOYSA-N 0 1 249.310 2.026 20 0 BEADMN COCC(C)(C)C[N@H+]1CCC[C@@H]1CF ZINC000354519748 174069400 /nfs/dbraw/zinc/06/94/00/174069400.db2.gz HOAJGCODHIVUFF-SNVBAGLBSA-N 0 1 203.301 2.093 20 0 BEADMN COCC(C)(C)CNc1ccc2c(n1)CCC2 ZINC000336706635 174070108 /nfs/dbraw/zinc/07/01/08/174070108.db2.gz LLAPNYHGQLLVFQ-UHFFFAOYSA-N 0 1 234.343 2.077 20 0 BEADMN COCC1(C)CCN(Cc2cnc(C)cn2)CC1 ZINC000358740122 174092908 /nfs/dbraw/zinc/09/29/08/174092908.db2.gz HPOXLVLUJZTBMG-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN COCC1CCN(Cc2cncs2)CC1 ZINC000093103498 174120920 /nfs/dbraw/zinc/12/09/20/174120920.db2.gz WVNJJIWEFGLTLR-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN COCCC1(C)CN(Cc2ccc(C)o2)C1 ZINC000297529381 174152548 /nfs/dbraw/zinc/15/25/48/174152548.db2.gz ZBFRZQLQCODFDK-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN COCCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000299398448 174174147 /nfs/dbraw/zinc/17/41/47/174174147.db2.gz VXYAVRWMHNSFIW-UHFFFAOYSA-N 0 1 247.298 2.318 20 0 BEADMN COCCCCCN[C@H](C)c1cc(C)on1 ZINC000282819508 174184196 /nfs/dbraw/zinc/18/41/96/174184196.db2.gz RTFHQJPUGWLCMY-LLVKDONJSA-N 0 1 226.320 2.450 20 0 BEADMN COCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000375619391 174189794 /nfs/dbraw/zinc/18/97/94/174189794.db2.gz XNAIUDLYWAZQTH-ZDUSSCGKSA-N 0 1 237.347 2.363 20 0 BEADMN COCCCCOc1ccccc1-c1nnc[nH]1 ZINC000089740046 174205848 /nfs/dbraw/zinc/20/58/48/174205848.db2.gz JFEMLULRGDFZJH-UHFFFAOYSA-N 0 1 247.298 2.277 20 0 BEADMN Cc1cccc(C)c1OCCNCc1cc[nH]n1 ZINC000066990341 1173063950 /nfs/dbraw/zinc/06/39/50/1173063950.db2.gz OWMZNAKMNWRWJG-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN COCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000298699381 174230303 /nfs/dbraw/zinc/23/03/03/174230303.db2.gz GVJQTBODUXZSLZ-CQSZACIVSA-N 0 1 235.327 2.096 20 0 BEADMN COCCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066851931 174235758 /nfs/dbraw/zinc/23/57/58/174235758.db2.gz YRMWRQKTRLTKMR-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1ccc(OCCCNCc2cc[nH]n2)cc1 ZINC000066992167 1173063520 /nfs/dbraw/zinc/06/35/20/1173063520.db2.gz QAUSBHGJTPJCOI-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN COCCC[C@H](C)N[C@H](C)c1nnc(C)s1 ZINC000309678153 174264741 /nfs/dbraw/zinc/26/47/41/174264741.db2.gz YMUZTOBNRNBWPU-DTWKUNHWSA-N 0 1 243.376 2.312 20 0 BEADMN COCCCn1nccc1CN1CC=C(C)CC1 ZINC000282725546 174267349 /nfs/dbraw/zinc/26/73/49/174267349.db2.gz CXAGQXWOZNHKDK-UHFFFAOYSA-N 0 1 249.358 2.072 20 0 BEADMN COCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053427645 174280270 /nfs/dbraw/zinc/28/02/70/174280270.db2.gz ZSEFJQWHTZKVQI-ZYHUDNBSSA-N 0 1 223.316 2.481 20 0 BEADMN COCCN(C)Cc1cncc(C(F)(F)F)c1 ZINC000361287901 174281473 /nfs/dbraw/zinc/28/14/73/174281473.db2.gz LZMNYLRETPNAMP-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN COCCN(CCCF)Cc1ccc(C)o1 ZINC000151867656 174291226 /nfs/dbraw/zinc/29/12/26/174291226.db2.gz JBCKILVPIQLMPN-UHFFFAOYSA-N 0 1 229.295 2.396 20 0 BEADMN COCCN(CCCCF)Cc1cncs1 ZINC000352422793 174291383 /nfs/dbraw/zinc/29/13/83/174291383.db2.gz VEOKXMYGLQQHTL-UHFFFAOYSA-N 0 1 246.351 2.341 20 0 BEADMN COCCNCc1conc1Cc1ccccc1 ZINC000339175562 174336263 /nfs/dbraw/zinc/33/62/63/174336263.db2.gz WNKASSUKDVYWKN-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN COCC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000336718474 174378840 /nfs/dbraw/zinc/37/88/40/174378840.db2.gz YMNAHUJKOWYHTB-MRVPVSSYSA-N 0 1 228.723 2.302 20 0 BEADMN COCC[C@H](C)NCc1nnc(C(C)C)s1 ZINC000336767971 174407639 /nfs/dbraw/zinc/40/76/39/174407639.db2.gz QHZROWVTXWDONB-VIFPVBQESA-N 0 1 243.376 2.176 20 0 BEADMN COCc1nc(CN[C@@H]2C[C@H](C)[C@@H]2C)cs1 ZINC000309892281 174642312 /nfs/dbraw/zinc/64/23/12/174642312.db2.gz DBDQYNLWKHEAAR-ATZCPNFKSA-N 0 1 240.372 2.424 20 0 BEADMN COc1c(O)cccc1CNCC=C(C)C ZINC000276716903 174936170 /nfs/dbraw/zinc/93/61/70/174936170.db2.gz DQMFUHHXUROYQI-UHFFFAOYSA-N 0 1 221.300 2.457 20 0 BEADMN COc1cc2c(cc1CNCC=C(C)C)OCO2 ZINC000359671764 175021753 /nfs/dbraw/zinc/02/17/53/175021753.db2.gz ACDCIMVVWQEYEK-UHFFFAOYSA-N 0 1 249.310 2.480 20 0 BEADMN COc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000071396629 175040732 /nfs/dbraw/zinc/04/07/32/175040732.db2.gz IFEDNUFUBVDQSX-LLVKDONJSA-N 0 1 245.282 2.170 20 0 BEADMN COc1ccc(C2(NCCF)CC2)cc1 ZINC000336742020 175084608 /nfs/dbraw/zinc/08/46/08/175084608.db2.gz WEDBADROZWJFQS-UHFFFAOYSA-N 0 1 209.264 2.243 20 0 BEADMN COc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000179558001 175095451 /nfs/dbraw/zinc/09/54/51/175095451.db2.gz LQPSJWCGDZZXGF-UHFFFAOYSA-N 0 1 231.299 2.050 20 0 BEADMN COc1ccc(CN2CCC(C(C)C)CC2)nn1 ZINC000283060344 175098395 /nfs/dbraw/zinc/09/83/95/175098395.db2.gz JMUXHWCDYVALIN-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)nn1 ZINC000282978984 175101161 /nfs/dbraw/zinc/10/11/61/175101161.db2.gz DGYIIHAPUOJXAJ-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1ccc(CNCCF)c(C)c1OC ZINC000336705275 175106512 /nfs/dbraw/zinc/10/65/12/175106512.db2.gz PHNNYFVHQPEMIO-UHFFFAOYSA-N 0 1 227.279 2.071 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccncc2)cn1 ZINC000020186179 175110708 /nfs/dbraw/zinc/11/07/08/175110708.db2.gz ZQYPVQHWWOURHA-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1ccc(F)cc1CN(C)CC[C@H](C)O ZINC000135405122 175128796 /nfs/dbraw/zinc/12/87/96/175128796.db2.gz QWOOAJDIIABAGE-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)cc1CNCCOC(C)C ZINC000291072429 175130648 /nfs/dbraw/zinc/13/06/48/175130648.db2.gz SDSHKZWTGAPACB-UHFFFAOYSA-N 0 1 241.306 2.349 20 0 BEADMN COc1ccc(OC)c(CN(C)C2CC2)c1 ZINC000125378821 175165657 /nfs/dbraw/zinc/16/56/57/175165657.db2.gz VCERWZQWDBKIEZ-UHFFFAOYSA-N 0 1 221.300 2.298 20 0 BEADMN COc1ccc([C@@H](C)NCc2cnn(C)c2)cc1 ZINC000041158844 175177109 /nfs/dbraw/zinc/17/71/09/175177109.db2.gz ZCFJDXKMIRGWGK-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc([C@H](C)NCCF)cc1F ZINC000271606791 175188107 /nfs/dbraw/zinc/18/81/07/175188107.db2.gz ATEIZCOJRIWRCS-QMMMGPOBSA-N 0 1 215.243 2.454 20 0 BEADMN COc1ccc2nc(SCCCO)[nH]c2c1 ZINC000035100069 175229189 /nfs/dbraw/zinc/22/91/89/175229189.db2.gz FUVYXGUCJOVMNB-UHFFFAOYSA-N 0 1 238.312 2.046 20 0 BEADMN COc1cccc(C2(NCCF)CC2)c1 ZINC000336734926 175248513 /nfs/dbraw/zinc/24/85/13/175248513.db2.gz NUBLQODSFZTQKM-UHFFFAOYSA-N 0 1 209.264 2.243 20 0 BEADMN COc1cccc(CCNc2cccc(C)n2)n1 ZINC000354842070 175252678 /nfs/dbraw/zinc/25/26/78/175252678.db2.gz BAOYXKRDTBTWBJ-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN COc1cccc(CN(C)Cc2[nH]ncc2C)c1 ZINC000356101277 175254450 /nfs/dbraw/zinc/25/44/50/175254450.db2.gz QKFVQQLVVUYJAQ-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN COc1cccc(CN2CC=C(C)CC2)n1 ZINC000270330053 175256338 /nfs/dbraw/zinc/25/63/38/175256338.db2.gz LSPKCVMQXVAYNG-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1cccc(CN[C@H](C)c2ccnn2C)c1 ZINC000192249776 175267663 /nfs/dbraw/zinc/26/76/63/175267663.db2.gz AIDYKGIQGWOLSE-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1cccc(NCc2cn[nH]c2C)c1 ZINC000036901539 175279314 /nfs/dbraw/zinc/27/93/14/175279314.db2.gz QIEHBQIDYKCHDN-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN CC(C)[C@H](Nc1ncnc2[nH]cnc21)C1CC1 ZINC000324562915 487630256 /nfs/dbraw/zinc/63/02/56/487630256.db2.gz SUDSSJLCYOMULF-VIFPVBQESA-N 0 1 231.303 2.199 20 0 BEADMN COc1cccc([C@H](C)NCc2cncn2C)c1 ZINC000112341780 175293609 /nfs/dbraw/zinc/29/36/09/175293609.db2.gz KBHLYRSFJLZLCC-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccncc1CN1CC[C@@H](SC)C1 ZINC000296057770 175370965 /nfs/dbraw/zinc/37/09/65/175370965.db2.gz BFZDHTAXAIALSN-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN COc1ccncc1CNCc1cccs1 ZINC000309333529 175372398 /nfs/dbraw/zinc/37/23/98/175372398.db2.gz TTYAGVXOOMJGBD-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN COc1nc(C)cc(C)c1CN(C)C1CC1 ZINC000287375999 175390280 /nfs/dbraw/zinc/39/02/80/175390280.db2.gz QMGWNAREUONGTL-UHFFFAOYSA-N 0 1 220.316 2.301 20 0 BEADMN COc1ncc(CN2CC(C)=C[C@H](C)C2)c(C)n1 ZINC000337217827 175399366 /nfs/dbraw/zinc/39/93/66/175399366.db2.gz APFAXOQHQCOEBN-JTQLQIEISA-N 0 1 247.342 2.192 20 0 BEADMN CSCCN[C@@H](C)c1c(F)cncc1F ZINC000285518153 175498604 /nfs/dbraw/zinc/49/86/04/175498604.db2.gz DTDJZUPSJOCGJC-ZETCQYMHSA-N 0 1 232.299 2.373 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCCc1ccccc1 ZINC000134701798 175624399 /nfs/dbraw/zinc/62/43/99/175624399.db2.gz FFJUBWHBFIKFAA-LBPRGKRZSA-N 0 1 235.327 2.414 20 0 BEADMN C[C@@H](NCCOC1CCC1)c1ccncc1F ZINC000340328575 175881184 /nfs/dbraw/zinc/88/11/84/175881184.db2.gz COTZVRHPYJYWFX-SNVBAGLBSA-N 0 1 238.306 2.440 20 0 BEADMN C[C@@H](NCc1cnn(C)c1)c1ccc(F)cc1 ZINC000020095888 175906003 /nfs/dbraw/zinc/90/60/03/175906003.db2.gz LURCGBOVWDVEOZ-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](O)C1 ZINC000299095596 176014336 /nfs/dbraw/zinc/01/43/36/176014336.db2.gz VLRPQHWUUODRIN-GXSJLCMTSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@](C)(O)C1 ZINC000267311257 176014622 /nfs/dbraw/zinc/01/46/22/176014622.db2.gz DJAODHJVCHROBB-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1cccc(O)c1)N(C)Cc1cnc[nH]1 ZINC000093315684 176019148 /nfs/dbraw/zinc/01/91/48/176019148.db2.gz DMFRNXUEDULGEY-JTQLQIEISA-N 0 1 231.299 2.308 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264992585 176019612 /nfs/dbraw/zinc/01/96/12/176019612.db2.gz QPURCIJQCWTTDO-JSGCOSHPSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCOCC(F)F ZINC000189778580 176026330 /nfs/dbraw/zinc/02/63/30/176026330.db2.gz MSTBLPDZDOKZIO-JTQLQIEISA-N 0 1 244.285 2.356 20 0 BEADMN C[C@@H](c1ccccn1)N(C)CCOCC(F)F ZINC000189778580 176026331 /nfs/dbraw/zinc/02/63/31/176026331.db2.gz MSTBLPDZDOKZIO-JTQLQIEISA-N 0 1 244.285 2.356 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000091702296 176026794 /nfs/dbraw/zinc/02/67/94/176026794.db2.gz ITDXHTRTUKMFTR-NWDGAFQWSA-N 0 1 248.326 2.028 20 0 BEADMN C[C@@H](c1ccco1)N(C)Cc1cnc[nH]1 ZINC000180051476 176032114 /nfs/dbraw/zinc/03/21/14/176032114.db2.gz VSBAUZVVJLIAPD-VIFPVBQESA-N 0 1 205.261 2.196 20 0 BEADMN C[C@@H](c1cccs1)N(C)C(=O)c1ccn[nH]1 ZINC000044971641 176032909 /nfs/dbraw/zinc/03/29/09/176032909.db2.gz ZFGHAOHOEPBJJA-QMMMGPOBSA-N 0 1 235.312 2.304 20 0 BEADMN C[C@@H](c1cnccn1)N(C)CCc1ccccn1 ZINC000184695292 176035251 /nfs/dbraw/zinc/03/52/51/176035251.db2.gz GROMJFPJLVOWHY-LBPRGKRZSA-N 0 1 242.326 2.107 20 0 BEADMN C[C@@H](O)CN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000291119924 176039234 /nfs/dbraw/zinc/03/92/34/176039234.db2.gz ATLPEQMPDMPFPY-ZJUUUORDSA-N 0 1 234.299 2.201 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1c1ncnc2[nH]cnc21 ZINC000373018306 176057828 /nfs/dbraw/zinc/05/78/28/176057828.db2.gz KNLCFFXEWVIHIJ-SECBINFHSA-N 0 1 243.314 2.122 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNCc1ncccn1 ZINC000054459619 176085188 /nfs/dbraw/zinc/08/51/88/176085188.db2.gz INHWDYMETLEKDZ-NEPJUHHUSA-N 0 1 219.332 2.393 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)Cc1nccc(N)n1 ZINC000119985260 176086698 /nfs/dbraw/zinc/08/66/98/176086698.db2.gz WZSICLQJLVHFIG-GHMZBOCLSA-N 0 1 234.347 2.069 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000131558652 176093456 /nfs/dbraw/zinc/09/34/56/176093456.db2.gz HSDIDAFAYGVNPR-GHMZBOCLSA-N 0 1 247.342 2.088 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334341512 176095351 /nfs/dbraw/zinc/09/53/51/176095351.db2.gz OMXLTSVPXUVNLJ-SECBINFHSA-N 0 1 233.315 2.159 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123188536 176095369 /nfs/dbraw/zinc/09/53/69/176095369.db2.gz WKSNNDVWGUPAHM-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN C[C@@H]1CCCN1C[C@@H](O)c1c(F)cccc1F ZINC000247567944 176108201 /nfs/dbraw/zinc/10/82/01/176108201.db2.gz RLUCMSDUFHADED-BXKDBHETSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000354241404 176121821 /nfs/dbraw/zinc/12/18/21/176121821.db2.gz RUGLKGONGZGFJO-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H]1C ZINC000188420727 176121922 /nfs/dbraw/zinc/12/19/22/176121922.db2.gz CZRNERWZZRERPQ-NQBHXWOUSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000037256166 176142337 /nfs/dbraw/zinc/14/23/37/176142337.db2.gz SFVDVPCDMFOWPN-KWCYVHTRSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000119876288 176143456 /nfs/dbraw/zinc/14/34/56/176143456.db2.gz WDKXEUFLWWDSOM-ZJUUUORDSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H]1CCN(c2ccnc3ccccc32)[C@H]1CO ZINC000248867778 176181615 /nfs/dbraw/zinc/18/16/15/176181615.db2.gz BDFIZCNIIOVKOD-ABAIWWIYSA-N 0 1 242.322 2.442 20 0 BEADMN C[C@@H]1CCOCCN1Cc1ccc(F)cc1 ZINC000367663328 176189869 /nfs/dbraw/zinc/18/98/69/176189869.db2.gz QBFZOVJMYRGSRV-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1CC[C@@H](NCC(F)(F)CO)[C@H](C)C1 ZINC000300395712 176212087 /nfs/dbraw/zinc/21/20/87/176212087.db2.gz GEDMJJSWWHOZBW-OPRDCNLKSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H]1CC[C@H](N(CCO)Cc2nccs2)C1 ZINC000356360962 176228687 /nfs/dbraw/zinc/22/86/87/176228687.db2.gz JHYUFGFMBLMRHB-MNOVXSKESA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC000193254714 176231163 /nfs/dbraw/zinc/23/11/63/176231163.db2.gz VAJRNFSZXOTYIM-WZRBSPASSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000266299461 176264343 /nfs/dbraw/zinc/26/43/43/176264343.db2.gz IWGRIRJRXQOVSI-MFKMUULPSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1cc(F)cc(F)c1 ZINC000353583097 176267402 /nfs/dbraw/zinc/26/74/02/176267402.db2.gz AARUFMYQQIAOFK-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(CC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000312935803 176284852 /nfs/dbraw/zinc/28/48/52/176284852.db2.gz WBJRKHMOJBTAMJ-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CN(CC2OCCO2)[C@H]1c1ccccc1 ZINC000272281638 176286673 /nfs/dbraw/zinc/28/66/73/176286673.db2.gz OHPDXGGVPBTIMA-BXUZGUMPSA-N 0 1 233.311 2.052 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)CC(C)(C)O1 ZINC000217372963 176297586 /nfs/dbraw/zinc/29/75/86/176297586.db2.gz KCNSMEUQUKYSHU-TZMCWYRMSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CCC1=O ZINC000300830914 176300574 /nfs/dbraw/zinc/30/05/74/176300574.db2.gz HJJKFENERIKJQE-ZJUUUORDSA-N 0 1 231.286 2.333 20 0 BEADMN C[C@H]1CN(Cc2cc(F)ncc2F)C[C@H]1C ZINC000294813320 176301814 /nfs/dbraw/zinc/30/18/14/176301814.db2.gz MDPKDKKNSSYPRQ-DTORHVGOSA-N 0 1 226.270 2.448 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1C ZINC000092085993 176304070 /nfs/dbraw/zinc/30/40/70/176304070.db2.gz JCEDMYSZESARQF-PHIMTYICSA-N 0 1 233.311 2.473 20 0 BEADMN C[C@@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000271042237 176305915 /nfs/dbraw/zinc/30/59/15/176305915.db2.gz NZNUTJNZCQQEIZ-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)C[C@H](C2CC2)O1 ZINC000280534678 176308483 /nfs/dbraw/zinc/30/84/83/176308483.db2.gz IRJJGMMCVCTTQU-BXUZGUMPSA-N 0 1 234.343 2.024 20 0 BEADMN C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@@H]1O ZINC000351820619 176312634 /nfs/dbraw/zinc/31/26/34/176312634.db2.gz AIGWQTUAACUSFR-KOLCDFICSA-N 0 1 248.351 2.109 20 0 BEADMN C[C@H](C(=O)NC1CCCCC1)N1C[C@@H](C)[C@H]1C ZINC000339582077 176316311 /nfs/dbraw/zinc/31/63/11/176316311.db2.gz OUZCXYXEGVFAPX-IJLUTSLNSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@@H]1CN([C@H]2CCOC2)Cc2ccccc2O1 ZINC000292554551 176317769 /nfs/dbraw/zinc/31/77/69/176317769.db2.gz YWDAYXYGRJBLHL-YPMHNXCESA-N 0 1 233.311 2.058 20 0 BEADMN C[C@@H]1COCCN1C[C@@H]1CCOc2ccccc21 ZINC000364843412 176337373 /nfs/dbraw/zinc/33/73/73/176337373.db2.gz KZHDGYNWYGYLAC-OLZOCXBDSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1ccn(C(F)F)n1 ZINC000336779459 176353423 /nfs/dbraw/zinc/35/34/23/176353423.db2.gz OHWQTLBUSPGPEC-APPZFPTMSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1nccn1C(F)F ZINC000285864334 176355856 /nfs/dbraw/zinc/35/58/56/176355856.db2.gz IRMUKJYONYTRJH-HTQZYQBOSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CN(C)C ZINC000360710819 176359585 /nfs/dbraw/zinc/35/95/85/176359585.db2.gz HCXZLHCDMBRJOH-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000336418860 176363938 /nfs/dbraw/zinc/36/39/38/176363938.db2.gz DGGXUCDVHZGGRS-NXEZZACHSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@@H]1C[C@@H](CN(C)Cc2cscn2)CCO1 ZINC000352691438 176367399 /nfs/dbraw/zinc/36/73/99/176367399.db2.gz LWPALPZLUAOQCG-MNOVXSKESA-N 0 1 240.372 2.390 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2ccncc21)N(C)C ZINC000674844609 487634555 /nfs/dbraw/zinc/63/45/55/487634555.db2.gz ORDTZNFBDLMSCT-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN C[C@@]1(O)CCN(Cc2sccc2Cl)C1 ZINC000278394680 176544455 /nfs/dbraw/zinc/54/44/55/176544455.db2.gz FFNOSFDPFUYOPL-SNVBAGLBSA-N 0 1 231.748 2.358 20 0 BEADMN C[C@H](NCc1cccn1C)c1ccncc1F ZINC000337953471 176877953 /nfs/dbraw/zinc/87/79/53/176877953.db2.gz LDLGQOAPKNASHE-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1nccs1 ZINC000300358354 176901656 /nfs/dbraw/zinc/90/16/56/176901656.db2.gz FYNTZEBFHKAWDJ-GDPRMGEGSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@H](O)c1ncc(CN(C)CCC2CC2)s1 ZINC000289058546 177018828 /nfs/dbraw/zinc/01/88/28/177018828.db2.gz BTWZGDDFCPIKNW-VIFPVBQESA-N 0 1 240.372 2.428 20 0 BEADMN C[C@H](Sc1nc(C2CC2)n[nH]1)c1cnccn1 ZINC000185693270 177030206 /nfs/dbraw/zinc/03/02/06/177030206.db2.gz NWIWNYVIQRIDLF-ZETCQYMHSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@H](Sc1n[nH]c(C2CC2)n1)c1cnccn1 ZINC000185693270 177030207 /nfs/dbraw/zinc/03/02/07/177030207.db2.gz NWIWNYVIQRIDLF-ZETCQYMHSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000082250074 177034683 /nfs/dbraw/zinc/03/46/83/177034683.db2.gz WQTJBGJOHQJGAZ-SECBINFHSA-N 0 1 225.263 2.293 20 0 BEADMN C[C@H](c1ccccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000062015324 177041641 /nfs/dbraw/zinc/04/16/41/177041641.db2.gz SAGXGHMULXVPCU-SECBINFHSA-N 0 1 225.263 2.293 20 0 BEADMN C[C@H](c1ccncc1)N(C)Cc1ccnc(N)c1 ZINC000299652847 177049763 /nfs/dbraw/zinc/04/97/63/177049763.db2.gz LDFAAAMAZYUSRU-LLVKDONJSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@H](c1nncn1C)N1CCCC(C)(C)CC1 ZINC000336584997 177054701 /nfs/dbraw/zinc/05/47/01/177054701.db2.gz GTKRKWVABBATOY-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN C[C@H]1CC(NC(=O)c2cnccc2N)C[C@H](C)C1 ZINC000128038665 177065458 /nfs/dbraw/zinc/06/54/58/177065458.db2.gz BARIWNLWVSFYJM-NXEZZACHSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@@](C)(N)c1ccccc1 ZINC000052880951 177073355 /nfs/dbraw/zinc/07/33/55/177073355.db2.gz YCCNWAHJZGZWCP-WFASDCNBSA-N 0 1 246.354 2.262 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1ccncc1C(N)=O ZINC000302215019 177086457 /nfs/dbraw/zinc/08/64/57/177086457.db2.gz ITGHZRVEKLLGCB-QWRGUYRKSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000052880988 177093632 /nfs/dbraw/zinc/09/36/32/177093632.db2.gz LCISCJMHKLYOCS-WFASDCNBSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000042015830 177094962 /nfs/dbraw/zinc/09/49/62/177094962.db2.gz BJWUOECZNLWCBR-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000037911325 177110588 /nfs/dbraw/zinc/11/05/88/177110588.db2.gz GULNOLBHOLBJKK-JTQLQIEISA-N 0 1 219.284 2.369 20 0 BEADMN C[C@H]1CCCN1Cc1cn(C)nc1C(F)F ZINC000335158512 177111130 /nfs/dbraw/zinc/11/11/30/177111130.db2.gz MFXYUFVZVQPUOF-QMMMGPOBSA-N 0 1 229.274 2.342 20 0 BEADMN C[C@H]1CCN(Cc2cncs2)CCS1 ZINC000190699395 177167916 /nfs/dbraw/zinc/16/79/16/177167916.db2.gz UXOGTHMHAOUKFC-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN C[C@H]1CCC[C@H](C)N1CC(=O)c1cccn1C ZINC000037333386 177130956 /nfs/dbraw/zinc/13/09/56/177130956.db2.gz WOSYYLNARNLGJY-RYUDHWBXSA-N 0 1 234.343 2.471 20 0 BEADMN C[C@H]1CCC[C@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000042493591 177134711 /nfs/dbraw/zinc/13/47/11/177134711.db2.gz SBLNQEFCQGDTPZ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)c2ccc(CN)o2)C1 ZINC000094565090 177136075 /nfs/dbraw/zinc/13/60/75/177136075.db2.gz ABQFPKHBUCAWHS-UWVGGRQHSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000267843905 177154325 /nfs/dbraw/zinc/15/43/25/177154325.db2.gz BCDSFRFRSKOSMH-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CCN(Cc2c(F)cccc2F)[C@H]1CO ZINC000248979055 177162824 /nfs/dbraw/zinc/16/28/24/177162824.db2.gz UWQKWDCRPIOALS-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCN(Cc2ccc(Cl)o2)[C@@H]1CO ZINC000336505676 177163661 /nfs/dbraw/zinc/16/36/61/177163661.db2.gz AXZBKOBMXFXGRJ-WCBMZHEXSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)n2)[C@@H](C)C1 ZINC000271201641 177166529 /nfs/dbraw/zinc/16/65/29/177166529.db2.gz WLIZNXHJDBLQPK-QWRGUYRKSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CCN(Cc2ncccn2)CC12CCC2 ZINC000336485449 177168563 /nfs/dbraw/zinc/16/85/63/177168563.db2.gz RWWYFLQZCRKONV-LBPRGKRZSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1nccn1C ZINC000076149104 177184658 /nfs/dbraw/zinc/18/46/58/177184658.db2.gz HBWUGZVGBCZPPW-WDEREUQCSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CC[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000338952763 177191110 /nfs/dbraw/zinc/19/11/10/177191110.db2.gz PBKZIHMOPWXLJS-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000310361201 177194786 /nfs/dbraw/zinc/19/47/86/177194786.db2.gz KHKZDGRYQKRFRS-WPRPVWTQSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2nccn2C)C1 ZINC000275686727 177203461 /nfs/dbraw/zinc/20/34/61/177203461.db2.gz OYJGHEPGMBAEKP-QWRGUYRKSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(C)(C)C ZINC000358712473 177224167 /nfs/dbraw/zinc/22/41/67/177224167.db2.gz IHHPTWMNXABRCO-TUAOUCFPSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@H]1C[N@@H+](CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000237622176 177243672 /nfs/dbraw/zinc/24/36/72/177243672.db2.gz RDDAZBKGGFVBEH-AAEUAGOBSA-N 0 1 233.311 2.197 20 0 BEADMN C[C@H]1CN(CC2CCCCCC2)CC[S@]1=O ZINC000336613639 177247092 /nfs/dbraw/zinc/24/70/92/177247092.db2.gz WDOUJRZNJIBEOH-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H]1CN(CC[C@@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000226821064 177254579 /nfs/dbraw/zinc/25/45/79/177254579.db2.gz QNNVEGRARYVNHE-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC=CCC2)C[C@H](C)[S@@]1=O ZINC000361660586 177257022 /nfs/dbraw/zinc/25/70/22/177257022.db2.gz LDNQWTCIUWCEDZ-OQMKEHIESA-N 0 1 241.400 2.184 20 0 BEADMN C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@@H]1C ZINC000275759204 177260806 /nfs/dbraw/zinc/26/08/06/177260806.db2.gz UNYJIVSKQGOIQV-IUCAKERBSA-N 0 1 227.739 2.161 20 0 BEADMN C[C@H]1CN(Cc2nnc(C3CC3)[nH]2)C(C)(C)C1 ZINC000336447072 177271069 /nfs/dbraw/zinc/27/10/69/177271069.db2.gz JAUNSNNJPQACMB-SECBINFHSA-N 0 1 234.347 2.303 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)[C@@H](C)CO1 ZINC000360469572 177302401 /nfs/dbraw/zinc/30/24/01/177302401.db2.gz POFXBTSDHYITCK-QWHCGFSZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1CSCCN1CCC(F)(F)F ZINC000306540552 177305181 /nfs/dbraw/zinc/30/51/81/177305181.db2.gz OWBPWUFIQBLVQL-ZETCQYMHSA-N 0 1 213.268 2.376 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000336404338 177310576 /nfs/dbraw/zinc/31/05/76/177310576.db2.gz ZOSYUYZXXSIBGB-PHIMTYICSA-N 0 1 249.358 2.192 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000019809987 177311386 /nfs/dbraw/zinc/31/13/86/177311386.db2.gz WWTKNCFMGBFYPT-SCRDCRAPSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000034935728 177312280 /nfs/dbraw/zinc/31/22/80/177312280.db2.gz WWTKNCFMGBFYPT-MBNYWOFBSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@H]1C[C@@H]1CNc1ccc2nn[nH]c2c1 ZINC000328669192 177345387 /nfs/dbraw/zinc/34/53/87/177345387.db2.gz LVZBREXKFDCKFQ-JGVFFNPUSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@H]1C[C@@H]1CNc1ccc2n[nH]nc2c1 ZINC000328669192 177345388 /nfs/dbraw/zinc/34/53/88/177345388.db2.gz LVZBREXKFDCKFQ-JGVFFNPUSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CNCCn2cccn2)o1 ZINC000042351639 177351830 /nfs/dbraw/zinc/35/18/30/177351830.db2.gz RHZBCSPPMMXQFO-AAEUAGOBSA-N 0 1 245.326 2.389 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN(CCO)C2CC2)o1 ZINC000081649281 177352072 /nfs/dbraw/zinc/35/20/72/177352072.db2.gz BBVWWOGVWVVMCL-GWCFXTLKSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000357351151 177355556 /nfs/dbraw/zinc/35/55/56/177355556.db2.gz WKCKTEDXVMDITG-VOAKCMCISA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1C[C@H](CN(C)Cc2cscn2)CCO1 ZINC000352691440 177361838 /nfs/dbraw/zinc/36/18/38/177361838.db2.gz LWPALPZLUAOQCG-WDEREUQCSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccon1 ZINC000339089468 177371588 /nfs/dbraw/zinc/37/15/88/177371588.db2.gz QJEJDRPJMIOMQC-VLEAKVRGSA-N 0 1 224.304 2.281 20 0 BEADMN C[C@H]1C[C@H]1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000284335039 177385303 /nfs/dbraw/zinc/38/53/03/177385303.db2.gz QSUYVUMVPKFOOZ-QUBYGPBYSA-N 0 1 249.701 2.355 20 0 BEADMN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@H+]1C ZINC000082337188 177389886 /nfs/dbraw/zinc/38/98/86/177389886.db2.gz TVMPRBASPQRGEU-FZMZJTMJSA-N 0 1 244.338 2.058 20 0 BEADMN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1C ZINC000082337188 177389893 /nfs/dbraw/zinc/38/98/93/177389893.db2.gz TVMPRBASPQRGEU-FZMZJTMJSA-N 0 1 244.338 2.058 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000335519216 487639654 /nfs/dbraw/zinc/63/96/54/487639654.db2.gz YAQHLRQAHLHVJD-AAEUAGOBSA-N 0 1 247.342 2.133 20 0 BEADMN CCc1ncc(CNC(=O)c2ccccc2F)[nH]1 ZINC001652460458 1173085870 /nfs/dbraw/zinc/08/58/70/1173085870.db2.gz AJDHHWZTLGKRLF-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN CCn1ncnc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000488321325 225371263 /nfs/dbraw/zinc/37/12/63/225371263.db2.gz ZJMHBSXYFLMTAJ-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000488324487 225373911 /nfs/dbraw/zinc/37/39/11/225373911.db2.gz ATYDWWNCDYFBGF-OSAQELSMSA-N 0 1 247.338 2.422 20 0 BEADMN CCn1ncnc1CN1CCC[C@H]1C(C)(C)C ZINC000487905508 225331446 /nfs/dbraw/zinc/33/14/46/225331446.db2.gz FPGJZIGQBRKTAD-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN C[C@H](CO)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000678044502 487645042 /nfs/dbraw/zinc/64/50/42/487645042.db2.gz SRCHWEBVAMWBGL-GZBFAFLISA-N 0 1 249.354 2.077 20 0 BEADMN CC[C@@H]1CN(CCCOC(C)(C)C)CCO1 ZINC000674903176 487647578 /nfs/dbraw/zinc/64/75/78/487647578.db2.gz UDRFXMWNZKGWHN-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@H]1CCCN(CN2CC(C)(C)OC2=O)CC1 ZINC000494002912 226259720 /nfs/dbraw/zinc/25/97/20/226259720.db2.gz VGIOSBYEYHEBOQ-NSHDSACASA-N 0 1 240.347 2.297 20 0 BEADMN C[C@@H]1CCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000494449942 226265571 /nfs/dbraw/zinc/26/55/71/226265571.db2.gz CLKJHEURVGXPJJ-LLVKDONJSA-N 0 1 238.331 2.051 20 0 BEADMN COCCN(Cc1ccc(COC)o1)C1CC1 ZINC000507172234 226366562 /nfs/dbraw/zinc/36/65/62/226366562.db2.gz ZYROWHODKVYAAA-UHFFFAOYSA-N 0 1 239.315 2.037 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000079488781 487650878 /nfs/dbraw/zinc/65/08/78/487650878.db2.gz CMLSUBVMEGQIPW-CQSZACIVSA-N 0 1 233.311 2.434 20 0 BEADMN CCn1cc(CCN2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000671626545 487652575 /nfs/dbraw/zinc/65/25/75/487652575.db2.gz VTYBSDXOMQHBKL-DGCLKSJQSA-N 0 1 239.338 2.125 20 0 BEADMN COCC1(NCc2ccncc2Cl)CCC1 ZINC000393455763 487661253 /nfs/dbraw/zinc/66/12/53/487661253.db2.gz IPYRVYYQFZXQAP-UHFFFAOYSA-N 0 1 240.734 2.394 20 0 BEADMN C[C@@H]1CCN(CCO[C@@H]2CCCCO2)C[C@@H]1F ZINC000683524095 487667933 /nfs/dbraw/zinc/66/79/33/487667933.db2.gz VHJRDQIGYOODIM-FRRDWIJNSA-N 0 1 245.338 2.210 20 0 BEADMN C[C@@H]1CCN(CCO[C@H]2CCCCO2)C[C@H]1F ZINC000683524097 487667812 /nfs/dbraw/zinc/66/78/12/487667812.db2.gz VHJRDQIGYOODIM-UPJWGTAASA-N 0 1 245.338 2.210 20 0 BEADMN COCc1cc(CN[C@H]2CCC(C)(C)C2)no1 ZINC000459441954 229170902 /nfs/dbraw/zinc/17/09/02/229170902.db2.gz ODXWRWAPHBBGTP-JTQLQIEISA-N 0 1 238.331 2.489 20 0 BEADMN Cc1cc(CNC/C=C\c2ccncc2)on1 ZINC000487273074 533683942 /nfs/dbraw/zinc/68/39/42/533683942.db2.gz MPDMRKJIYOLBIQ-IHWYPQMZSA-N 0 1 229.283 2.181 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000228615898 487690437 /nfs/dbraw/zinc/69/04/37/487690437.db2.gz RKNWAMRODCRCMV-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)[C@H]2C)n1C ZINC000667649942 487695905 /nfs/dbraw/zinc/69/59/05/487695905.db2.gz HIUMLZZORQCSRB-NXEZZACHSA-N 0 1 239.388 2.054 20 0 BEADMN c1cc(CNCCCc2ccccc2)no1 ZINC000088052648 487696879 /nfs/dbraw/zinc/69/68/79/487696879.db2.gz OBAGHLULLMRECO-UHFFFAOYSA-N 0 1 216.284 2.397 20 0 BEADMN c1n[nH]cc1CN[C@H](c1ccccn1)C1CCC1 ZINC000527771614 262881275 /nfs/dbraw/zinc/88/12/75/262881275.db2.gz KVBARINUCLIEAY-AWEZNQCLSA-N 0 1 242.326 2.436 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cnc(C)nc1C ZINC000527974427 262901033 /nfs/dbraw/zinc/90/10/33/262901033.db2.gz NNGIPDOZTDRZNK-HONMWMINSA-N 0 1 249.358 2.312 20 0 BEADMN CCCC[C@@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000669704931 487702388 /nfs/dbraw/zinc/70/23/88/487702388.db2.gz XPEKKXZSIUPCQN-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN O=C([O-])[C@H]1C[N@@H+](CC2CCC2)Cc2ccccc21 ZINC000088133830 487706332 /nfs/dbraw/zinc/70/63/32/487706332.db2.gz RUYWACAHKJFVOC-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN Cc1nc(C)c(CN(C)[C@H]2CCSC2)o1 ZINC000683898939 487710701 /nfs/dbraw/zinc/71/07/01/487710701.db2.gz AABAPZITOQCJNK-JTQLQIEISA-N 0 1 226.345 2.229 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCCn1ccnc1 ZINC000182668575 487718671 /nfs/dbraw/zinc/71/86/71/487718671.db2.gz BOCKCDKBMLSHRQ-CYBMUJFWSA-N 0 1 244.342 2.152 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C)cc1 ZINC000070206778 487720106 /nfs/dbraw/zinc/72/01/06/487720106.db2.gz BHLYMSMLDYACKO-UHFFFAOYSA-N 0 1 215.256 2.279 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C3CCC3)C2)n[nH]1 ZINC000665678194 487723221 /nfs/dbraw/zinc/72/32/21/487723221.db2.gz NGLYGIBBWKFQLN-NSHDSACASA-N 0 1 247.342 2.234 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cnc(C2CC2)s1 ZINC000668422086 487725543 /nfs/dbraw/zinc/72/55/43/487725543.db2.gz POSPHUISWNKKME-UHFFFAOYSA-N 0 1 248.355 2.376 20 0 BEADMN Cc1cc(CN(C)Cc2cnc[nH]2)cc(C)c1O ZINC000668422316 487726998 /nfs/dbraw/zinc/72/69/98/487726998.db2.gz YAYKVPQCKQKUGB-UHFFFAOYSA-N 0 1 245.326 2.364 20 0 BEADMN Cc1nc(O[C@@H]2CCCC[C@H]2F)c(F)c(=O)[nH]1 ZINC001226423111 974892265 /nfs/dbraw/zinc/89/22/65/974892265.db2.gz DSUYZHYRAIWGRH-HTQZYQBOSA-N 0 1 244.241 2.289 20 0 BEADMN CCn1ncnc1CNCCCc1ccccc1 ZINC000088589613 487738601 /nfs/dbraw/zinc/73/86/01/487738601.db2.gz QVGTXEKXWSTLLG-UHFFFAOYSA-N 0 1 244.342 2.020 20 0 BEADMN C1CN[C@H](c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)C1 ZINC000250799747 487741296 /nfs/dbraw/zinc/74/12/96/487741296.db2.gz BFUJGSWTAHBASL-ZRUFSTJUSA-N 0 1 233.315 2.398 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000250802749 487741163 /nfs/dbraw/zinc/74/11/63/487741163.db2.gz PHFDSVAHDSSISV-DZGCQCFKSA-N 0 1 245.322 2.471 20 0 BEADMN c1ccc(CCc2nc([C@H]3CCCN3)no2)cc1 ZINC000071396451 487743276 /nfs/dbraw/zinc/74/32/76/487743276.db2.gz BVRRKGCWWCRRGB-GFCCVEGCSA-N 0 1 243.310 2.279 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000042457317 487749945 /nfs/dbraw/zinc/74/99/45/487749945.db2.gz HHCSUCDKJHSOMW-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H]1CC ZINC000741782140 585118433 /nfs/dbraw/zinc/11/84/33/585118433.db2.gz IJKORQSOOSOKMG-GHMZBOCLSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1cccc(NC(=O)[C@H](C)N(C)C)c1C ZINC000674265927 487763197 /nfs/dbraw/zinc/76/31/97/487763197.db2.gz KXDUZEZVAFJIIZ-NSHDSACASA-N 0 1 220.316 2.192 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccn(C)n1 ZINC000666229664 487764561 /nfs/dbraw/zinc/76/45/61/487764561.db2.gz UZTHFZZCDBBJCI-CIUDSAMLSA-N 0 1 229.274 2.114 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc[nH]1 ZINC000675720057 487769131 /nfs/dbraw/zinc/76/91/31/487769131.db2.gz GBRHWOHHRGDNKK-UHFFFAOYSA-N 0 1 244.176 2.009 20 0 BEADMN CC(C)(C)CCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666308343 487783165 /nfs/dbraw/zinc/78/31/65/487783165.db2.gz QSYXKCLADIZEIP-JTQLQIEISA-N 0 1 249.358 2.067 20 0 BEADMN COCCC1(C)CN(Cc2ccc(C)nc2)C1 ZINC000459642296 487783701 /nfs/dbraw/zinc/78/37/01/487783701.db2.gz ZGPLJKBLGOPHJO-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CCc1ncc(CN2CCCOC(C)(C)C2)cn1 ZINC000666313162 487784790 /nfs/dbraw/zinc/78/47/90/487784790.db2.gz PEOZWSQSZKVTGO-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN CC[N@@H+](Cc1cnnn1-c1ccccc1)C1CC1 ZINC000675859492 487784932 /nfs/dbraw/zinc/78/49/32/487784932.db2.gz OXQKXLKQWFGGJJ-UHFFFAOYSA-N 0 1 242.326 2.252 20 0 BEADMN CCN(Cc1cnnn1-c1ccccc1)C1CC1 ZINC000675859492 487784935 /nfs/dbraw/zinc/78/49/35/487784935.db2.gz OXQKXLKQWFGGJJ-UHFFFAOYSA-N 0 1 242.326 2.252 20 0 BEADMN Cn1cccc1CN1CC(C)(C)OCC1(C)C ZINC000678269999 487790621 /nfs/dbraw/zinc/79/06/21/487790621.db2.gz PLIPDZBOCYSYNP-UHFFFAOYSA-N 0 1 236.359 2.415 20 0 BEADMN C[C@H]1OCCN(CCCOC(C)(C)C)[C@@H]1C ZINC000675897337 487790421 /nfs/dbraw/zinc/79/04/21/487790421.db2.gz RJPDSJSTXRZBAM-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN CC(C)CN(C)Cc1cnnn1-c1ccccc1 ZINC000675913196 487791307 /nfs/dbraw/zinc/79/13/07/487791307.db2.gz DCZMNUMINUHQAV-UHFFFAOYSA-N 0 1 244.342 2.355 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@H](CO)C2)c1 ZINC000296668003 487791675 /nfs/dbraw/zinc/79/16/75/487791675.db2.gz ZAYLZMYWVPAPMI-AWEZNQCLSA-N 0 1 247.338 2.094 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000414151255 487795646 /nfs/dbraw/zinc/79/56/46/487795646.db2.gz VZGLVCPOIDMNPF-MXWKQRLJSA-N 0 1 223.320 2.016 20 0 BEADMN CCc1nnc([C@@H](C)N(CC)CC(C)C)[nH]1 ZINC000659839053 487799743 /nfs/dbraw/zinc/79/97/43/487799743.db2.gz UFCUJPDXWYCUBT-SNVBAGLBSA-N 0 1 224.352 2.406 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncc(C)c2)[nH]n1 ZINC000681053314 487804528 /nfs/dbraw/zinc/80/45/28/487804528.db2.gz VETCUYBYFNGAMW-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncc(C)c2)n[nH]1 ZINC000681053314 487804529 /nfs/dbraw/zinc/80/45/29/487804529.db2.gz VETCUYBYFNGAMW-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@@](C)(O)C2)c(C)s1 ZINC000669427157 487817041 /nfs/dbraw/zinc/81/70/41/487817041.db2.gz TWPXPDFWNNCKEW-VIRWGQHYSA-N 0 1 240.372 2.324 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191141 487818633 /nfs/dbraw/zinc/81/86/33/487818633.db2.gz FNTBZKLVDJQQIC-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191140 487819103 /nfs/dbraw/zinc/81/91/03/487819103.db2.gz FNTBZKLVDJQQIC-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](C(=O)OCC(C)(C)F)N(CC)CC ZINC000785922700 585883574 /nfs/dbraw/zinc/88/35/74/585883574.db2.gz BIJXRNOSDSUUKV-JTQLQIEISA-N 0 1 233.327 2.398 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H](C)C(C)C)N(C)C ZINC000789804353 585950850 /nfs/dbraw/zinc/95/08/50/585950850.db2.gz OWNPSECKAKLYTO-WDEREUQCSA-N 0 1 215.337 2.160 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C)[C@H]2C)n1 ZINC000674466737 487830021 /nfs/dbraw/zinc/83/00/21/487830021.db2.gz NQSNGXAGILUADF-HLTSFMKQSA-N 0 1 209.293 2.169 20 0 BEADMN Cc1noc([C@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000674466735 487830280 /nfs/dbraw/zinc/83/02/80/487830280.db2.gz NQSNGXAGILUADF-CIUDSAMLSA-N 0 1 209.293 2.169 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C)[C@@H]2C)n1 ZINC000674466735 487830282 /nfs/dbraw/zinc/83/02/82/487830282.db2.gz NQSNGXAGILUADF-CIUDSAMLSA-N 0 1 209.293 2.169 20 0 BEADMN CCN(CC(=O)NC(C)(CC)CC)C1CC1 ZINC000505212381 527901439 /nfs/dbraw/zinc/90/14/39/527901439.db2.gz AIPOHLOBDUPQMC-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN COC(=O)c1occc1CN1CCC[C@@H]1C ZINC000076114591 487832904 /nfs/dbraw/zinc/83/29/04/487832904.db2.gz RCPFEHNMNJYYGH-VIFPVBQESA-N 0 1 223.272 2.051 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC000666578589 487834256 /nfs/dbraw/zinc/83/42/56/487834256.db2.gz HRTWTGNGSKLQCB-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN CO[C@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000681670972 487836017 /nfs/dbraw/zinc/83/60/17/487836017.db2.gz RIAQIBYLMSLPHP-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN CCc1nc(CN[C@H](CC)[C@H](O)CC)cs1 ZINC000313151481 322949260 /nfs/dbraw/zinc/94/92/60/322949260.db2.gz LNLIDCSLEOTJNR-GHMZBOCLSA-N 0 1 242.388 2.345 20 0 BEADMN COC1(C)CN(CCC(C)(C)SC)C1 ZINC000877532840 590349603 /nfs/dbraw/zinc/34/96/03/590349603.db2.gz ISEUMXJCXQTQCZ-UHFFFAOYSA-N 0 1 217.378 2.239 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000676460890 487852696 /nfs/dbraw/zinc/85/26/96/487852696.db2.gz OKUQPBJZJJIPAV-LBPRGKRZSA-N 0 1 216.288 2.075 20 0 BEADMN C[C@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000676463268 487852828 /nfs/dbraw/zinc/85/28/28/487852828.db2.gz UDMPEBUTIURPEW-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN CCCc1cc(C(=O)N2CC3(C2)CCCC3)n[nH]1 ZINC000681756829 487856404 /nfs/dbraw/zinc/85/64/04/487856404.db2.gz IOIZLKUAZDVCIN-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN CSCC(C)(C)NCc1cc(C)on1 ZINC000934664716 641238097 /nfs/dbraw/zinc/23/80/97/641238097.db2.gz SHQSOPNTUKRXQS-UHFFFAOYSA-N 0 1 214.334 2.214 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc[nH]c1 ZINC000334349686 487871080 /nfs/dbraw/zinc/87/10/80/487871080.db2.gz ALSHHGCYYRXDBQ-UHFFFAOYSA-N 0 1 240.213 2.236 20 0 BEADMN COCC1(C2CCC2)CN(Cc2cccn2C)C1 ZINC000668513645 487875100 /nfs/dbraw/zinc/87/51/00/487875100.db2.gz MCXBKZJJAOCNQK-UHFFFAOYSA-N 0 1 248.370 2.274 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCC1CC(C)(C)C1 ZINC000682025882 487881138 /nfs/dbraw/zinc/88/11/38/487881138.db2.gz VTJRKAKYQRSRNI-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1OCCN(C)Cc1cn[nH]c1 ZINC000676704175 487896069 /nfs/dbraw/zinc/89/60/69/487896069.db2.gz KBNAOPUGPWYIKW-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN Cc1nc(CN2CCCCC[C@H]2CO)oc1C ZINC000157109126 487903654 /nfs/dbraw/zinc/90/36/54/487903654.db2.gz FONVXBDUTWCMLC-LBPRGKRZSA-N 0 1 238.331 2.028 20 0 BEADMN Cc1ncc([C@@H](C)N2CC=CCC2)c(C)n1 ZINC000682078524 487903794 /nfs/dbraw/zinc/90/37/94/487903794.db2.gz ZSVSRYOSENMBGM-LLVKDONJSA-N 0 1 217.316 2.416 20 0 BEADMN CCc1ccc(C[N@H+](C)[C@@H](CC)C(=O)[O-])o1 ZINC000083414679 487908591 /nfs/dbraw/zinc/90/85/91/487908591.db2.gz HVJZNFRMCQBXPG-NSHDSACASA-N 0 1 225.288 2.137 20 0 BEADMN Cn1ncc(Cl)c1CN1CCC[C@@H]1C1CC1 ZINC000682154094 487915864 /nfs/dbraw/zinc/91/58/64/487915864.db2.gz QZDLFWKMBOITHH-LLVKDONJSA-N 0 1 239.750 2.448 20 0 BEADMN CC[N@H+]1CCN(C(=O)C2=CCCCC2)C[C@@H]1C ZINC000682163361 487919987 /nfs/dbraw/zinc/91/99/87/487919987.db2.gz JYFQXSMWAGCOMJ-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)C2=CCCCC2)C[C@@H]1C ZINC000682163361 487919991 /nfs/dbraw/zinc/91/99/91/487919991.db2.gz JYFQXSMWAGCOMJ-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)O[C@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000404562352 487927088 /nfs/dbraw/zinc/92/70/88/487927088.db2.gz UUMCUCNSNYNBNQ-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN CCNCc1cn(CCCc2ccccc2)nn1 ZINC000090295956 487927228 /nfs/dbraw/zinc/92/72/28/487927228.db2.gz BZGHPYIFCCZGPB-UHFFFAOYSA-N 0 1 244.342 2.020 20 0 BEADMN Cc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000676792307 487929255 /nfs/dbraw/zinc/92/92/55/487929255.db2.gz BBDYNBUMJGOLIQ-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN Cc1cc(CNC(=O)C(C)(C)C(C)C)n[nH]1 ZINC000682224109 487929667 /nfs/dbraw/zinc/92/96/67/487929667.db2.gz NRRYLYHQSKNYBA-UHFFFAOYSA-N 0 1 223.320 2.017 20 0 BEADMN CC(C)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000157986665 487932911 /nfs/dbraw/zinc/93/29/11/487932911.db2.gz VTVZPOUGYCISBC-NSHDSACASA-N 0 1 227.348 2.465 20 0 BEADMN CCc1ccccc1CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000652363963 487932966 /nfs/dbraw/zinc/93/29/66/487932966.db2.gz SWGJIUNSWPFXNA-CQSZACIVSA-N 0 1 247.338 2.341 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000158024737 487935576 /nfs/dbraw/zinc/93/55/76/487935576.db2.gz XXDOFQXRLWZZKP-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN COCc1ccc(CN[C@H]2COC(C)(C)C2)o1 ZINC000396501025 487936939 /nfs/dbraw/zinc/93/69/39/487936939.db2.gz JNODGTICVZXIGH-SNVBAGLBSA-N 0 1 239.315 2.083 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1COC(C)(C)C1 ZINC000396537198 487939009 /nfs/dbraw/zinc/93/90/09/487939009.db2.gz LZCBYLKHFNAOEC-WDEREUQCSA-N 0 1 235.331 2.003 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668565962 487941925 /nfs/dbraw/zinc/94/19/25/487941925.db2.gz PASRIDOODYGYSC-GHMZBOCLSA-N 0 1 249.358 2.019 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668565964 487941947 /nfs/dbraw/zinc/94/19/47/487941947.db2.gz PASRIDOODYGYSC-QWRGUYRKSA-N 0 1 249.358 2.019 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000049219805 487945703 /nfs/dbraw/zinc/94/57/03/487945703.db2.gz KBMYDJPXNVXPOV-YUMQZZPRSA-N 0 1 247.273 2.088 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667142213 487946419 /nfs/dbraw/zinc/94/64/19/487946419.db2.gz ORZSFVXGBCAYER-DCAQKATOSA-N 0 1 249.358 2.065 20 0 BEADMN Cc1ccc(CN(C)Cc2cnc[nH]2)cc1F ZINC000684620696 487948145 /nfs/dbraw/zinc/94/81/45/487948145.db2.gz UZPOQIHOFWMKDR-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN C[C@@H](C(=O)N(C)[C@@H](C)C1CCCCC1)N(C)C ZINC000669940760 487948576 /nfs/dbraw/zinc/94/85/76/487948576.db2.gz SEZMHQVRBKWUHH-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN Oc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000682406414 487950340 /nfs/dbraw/zinc/95/03/40/487950340.db2.gz LLIQXZZIPBEOLH-CYBMUJFWSA-N 0 1 243.310 2.283 20 0 BEADMN Cc1cnccc1CN(C)CC1=CCCOC1 ZINC000668569258 487950871 /nfs/dbraw/zinc/95/08/71/487950871.db2.gz VHTZYZHKHIAVOI-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)[C@H](C)O1 ZINC000682408241 487951872 /nfs/dbraw/zinc/95/18/72/487951872.db2.gz ZHJXDHYJGHUWNF-UTUOFQBUSA-N 0 1 235.327 2.390 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)CC1(C)C ZINC000652443550 487951917 /nfs/dbraw/zinc/95/19/17/487951917.db2.gz CWHBRLYNKYYHNF-ONGXEEELSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000667177556 487954008 /nfs/dbraw/zinc/95/40/08/487954008.db2.gz URBATQPVJRGTMG-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666351926 487956164 /nfs/dbraw/zinc/95/61/64/487956164.db2.gz LRSCKOOCCHFFCJ-MNOVXSKESA-N 0 1 249.358 2.162 20 0 BEADMN c1coc(CNCCOC2CCCC2)c1 ZINC000049948533 322985608 /nfs/dbraw/zinc/98/56/08/322985608.db2.gz ISBLZLJXRMSYMD-UHFFFAOYSA-N 0 1 209.289 2.328 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(F)cc2C)n[nH]1 ZINC000150912611 323002586 /nfs/dbraw/zinc/00/25/86/323002586.db2.gz CBFRYZVBSDPTBD-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN COc1cc(C)ccc1CNCc1c[nH]nc1C ZINC000151006045 323005022 /nfs/dbraw/zinc/00/50/22/323005022.db2.gz XORHGTHXKXEXRP-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC(C)c1nc(CN2C3CCC2CC3)n[nH]1 ZINC000562377357 323018449 /nfs/dbraw/zinc/01/84/49/323018449.db2.gz FTLYSQFEQYTBOW-UHFFFAOYSA-N 0 1 220.320 2.055 20 0 BEADMN c1csc(SCCc2c[nH]nn2)c1 ZINC000562475784 323021424 /nfs/dbraw/zinc/02/14/24/323021424.db2.gz QVABDBAJQVTPNG-UHFFFAOYSA-N 0 1 211.315 2.201 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc2cccnc2o1 ZINC000562518556 323022713 /nfs/dbraw/zinc/02/27/13/323022713.db2.gz MVGRNWSUTREFOL-RYUDHWBXSA-N 0 1 232.283 2.095 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000562657565 323026680 /nfs/dbraw/zinc/02/66/80/323026680.db2.gz GHYUTOFXLWGZPR-QMTHXVAHSA-N 0 1 249.358 2.238 20 0 BEADMN C(C[C@@H]1CCOC1)Sc1nc(C2CC2)n[nH]1 ZINC000562699503 323027828 /nfs/dbraw/zinc/02/78/28/323027828.db2.gz MJHUVFMVAYUNHY-QMMMGPOBSA-N 0 1 239.344 2.201 20 0 BEADMN C(C[C@@H]1CCOC1)Sc1n[nH]c(C2CC2)n1 ZINC000562699503 323027829 /nfs/dbraw/zinc/02/78/29/323027829.db2.gz MJHUVFMVAYUNHY-QMMMGPOBSA-N 0 1 239.344 2.201 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000323346078 323028627 /nfs/dbraw/zinc/02/86/27/323028627.db2.gz YWURGJGRPMSNJY-PXYYCUNGSA-N 0 1 245.322 2.496 20 0 BEADMN FC[C@H]1CN(CC2Cc3ccccc3C2)CCO1 ZINC000562738556 323029578 /nfs/dbraw/zinc/02/95/78/323029578.db2.gz FISKQUKDVQINDV-HNNXBMFYSA-N 0 1 249.329 2.072 20 0 BEADMN FC[C@@H]1CN(CC2Cc3ccccc3C2)CCO1 ZINC000562738557 323029599 /nfs/dbraw/zinc/02/95/99/323029599.db2.gz FISKQUKDVQINDV-OAHLLOKOSA-N 0 1 249.329 2.072 20 0 BEADMN CC[C@H]1C[N@H+](C)CCN1CCc1ccccc1 ZINC000562857747 323032323 /nfs/dbraw/zinc/03/23/23/323032323.db2.gz WYCFANIQLBUUBP-HNNXBMFYSA-N 0 1 232.371 2.255 20 0 BEADMN C[C@@H]1CCCN1Cc1cnn(C)c1C(F)(F)F ZINC000151891728 323032475 /nfs/dbraw/zinc/03/24/75/323032475.db2.gz DGHRLQZAWBIZAQ-MRVPVSSYSA-N 0 1 247.264 2.423 20 0 BEADMN C[C@@H]1C[C@H](CN2Cc3cccnc3C2)CCO1 ZINC000572633832 323045629 /nfs/dbraw/zinc/04/56/29/323045629.db2.gz MATZHHUGJPOYBY-VXGBXAGGSA-N 0 1 232.327 2.212 20 0 BEADMN CC1=C(C)CN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000570107684 323050284 /nfs/dbraw/zinc/05/02/84/323050284.db2.gz TVCASYKJFIYVFS-LLVKDONJSA-N 0 1 247.342 2.157 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CN1CCC=C(F)C1 ZINC000570170436 323051788 /nfs/dbraw/zinc/05/17/88/323051788.db2.gz KPXCJYGYSRUVCG-ZYHUDNBSSA-N 0 1 213.296 2.097 20 0 BEADMN CC(C)CO[C@@H](C)c1nc(C2(N)CCC2)no1 ZINC000570279121 323054867 /nfs/dbraw/zinc/05/48/67/323054867.db2.gz FVLJJXCLRXCTGU-VIFPVBQESA-N 0 1 239.319 2.141 20 0 BEADMN Cc1nc(CNC[C@H]2CCC(C)(C)O2)[nH]c1C ZINC000570345677 323057140 /nfs/dbraw/zinc/05/71/40/323057140.db2.gz SRIXHQDWHMJPLZ-LLVKDONJSA-N 0 1 237.347 2.074 20 0 BEADMN OC1(CC[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000570819193 323071505 /nfs/dbraw/zinc/07/15/05/323071505.db2.gz WXFJDVYSFPSSIO-OAHLLOKOSA-N 0 1 249.329 2.472 20 0 BEADMN Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000047921287 323076694 /nfs/dbraw/zinc/07/66/94/323076694.db2.gz DQYBMWVUVCBZEA-CQSZACIVSA-N 0 1 249.354 2.137 20 0 BEADMN C[C@H](O)[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000562987975 323078188 /nfs/dbraw/zinc/07/81/88/323078188.db2.gz WDBPLEBZJAKIGP-QWRGUYRKSA-N 0 1 246.310 2.201 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000562987973 323078207 /nfs/dbraw/zinc/07/82/07/323078207.db2.gz WDBPLEBZJAKIGP-GHMZBOCLSA-N 0 1 246.310 2.201 20 0 BEADMN CSC[C@@H]1CCCN(Cc2cnccn2)C1 ZINC000563117837 323093594 /nfs/dbraw/zinc/09/35/94/323093594.db2.gz KRWHDLDAOWLBFM-LLVKDONJSA-N 0 1 237.372 2.052 20 0 BEADMN Cc1ccc2cc[nH+]c(N(C)CCC(=O)[O-])c2c1 ZINC000563132709 323094468 /nfs/dbraw/zinc/09/44/68/323094468.db2.gz WQPCSPTYYMUKEC-UHFFFAOYSA-N 0 1 244.294 2.454 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1ncc(C)s1)C1CC1 ZINC000394738410 323096782 /nfs/dbraw/zinc/09/67/82/323096782.db2.gz VPAZEXCCPIIIRE-SKDRFNHKSA-N 0 1 240.372 2.355 20 0 BEADMN CO[C@H]([C@H](C)NCc1ncc(C)s1)C1CC1 ZINC000394738408 323096791 /nfs/dbraw/zinc/09/67/91/323096791.db2.gz VPAZEXCCPIIIRE-JOYOIKCWSA-N 0 1 240.372 2.355 20 0 BEADMN CCC1(NC(=O)[C@H]2CCCN2C)CCCCC1 ZINC000335238863 323097532 /nfs/dbraw/zinc/09/75/32/323097532.db2.gz QDLJSWYHRKYAPU-GFCCVEGCSA-N 0 1 238.375 2.310 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000571053416 323105599 /nfs/dbraw/zinc/10/55/99/323105599.db2.gz KKTBQYRRJQCIQH-GRYCIOLGSA-N 0 1 227.348 2.464 20 0 BEADMN CSCC[N@H+](C)[C@H](C(=O)[O-])c1ccsc1 ZINC000563279096 323107833 /nfs/dbraw/zinc/10/78/33/323107833.db2.gz WYXFSMCWWLSWAV-VIFPVBQESA-N 0 1 245.369 2.169 20 0 BEADMN CSCC[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1 ZINC000563279096 323107834 /nfs/dbraw/zinc/10/78/34/323107834.db2.gz WYXFSMCWWLSWAV-VIFPVBQESA-N 0 1 245.369 2.169 20 0 BEADMN CC(C)[N@@H+](CC1CCC1)CC1(C(=O)[O-])CC1 ZINC000563281296 323107994 /nfs/dbraw/zinc/10/79/94/323107994.db2.gz BGRCBSDKBMVAJD-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000563282071 323108108 /nfs/dbraw/zinc/10/81/08/323108108.db2.gz MNJNAOWZIOCIEH-WCQYABFASA-N 0 1 248.326 2.329 20 0 BEADMN CC(C)C[N@H+](CCC(=O)[O-])CC[C@@H](C)F ZINC000563282849 323108280 /nfs/dbraw/zinc/10/82/80/323108280.db2.gz KJWGATFXQBBJEE-SNVBAGLBSA-N 0 1 219.300 2.167 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CCCCC1 ZINC000563367200 323121422 /nfs/dbraw/zinc/12/14/22/323121422.db2.gz DOLNIZZBXSABLO-NSHDSACASA-N 0 1 249.358 2.379 20 0 BEADMN CCCN(Cc1cn(CC2CC2)nn1)C(C)C ZINC000563367740 323121555 /nfs/dbraw/zinc/12/15/55/323121555.db2.gz PUMWGPFSEIQVAI-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000563449812 323126480 /nfs/dbraw/zinc/12/64/80/323126480.db2.gz BAXFHLPRMYFWHK-UMVBOHGHSA-N 0 1 245.322 2.339 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2ccno2)CS1 ZINC000571165435 323137277 /nfs/dbraw/zinc/13/72/77/323137277.db2.gz AKVIMIRNJOAYHH-GXSJLCMTSA-N 0 1 226.345 2.294 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2ccno2)CS1 ZINC000571165438 323137331 /nfs/dbraw/zinc/13/73/31/323137331.db2.gz AKVIMIRNJOAYHH-ONGXEEELSA-N 0 1 226.345 2.294 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CCO[C@@H]2C)n1 ZINC000571282969 323140208 /nfs/dbraw/zinc/14/02/08/323140208.db2.gz CBUAWAAYQRUHLR-UTLUCORTSA-N 0 1 239.319 2.008 20 0 BEADMN CCn1ncnc1CN(C)[C@H]1CCCC[C@H]1C ZINC000253355220 323142211 /nfs/dbraw/zinc/14/22/11/323142211.db2.gz FBPFCRXRZLLJOB-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)C1CCCCC1 ZINC000571355516 323142559 /nfs/dbraw/zinc/14/25/59/323142559.db2.gz AYDKBTCWTKOGBX-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C)n1 ZINC000571411196 323144099 /nfs/dbraw/zinc/14/40/99/323144099.db2.gz VUMORIAXSRMQIQ-ZDUSSCGKSA-N 0 1 248.326 2.138 20 0 BEADMN Cc1cccc(CCC[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000571410766 323144107 /nfs/dbraw/zinc/14/41/07/323144107.db2.gz WIMQBZPRWKKADX-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN CCCN(Cc1ncnn1CCC)CC1CC1 ZINC000571508165 323146229 /nfs/dbraw/zinc/14/62/29/323146229.db2.gz NVXDEJYHAGLYCQ-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN FC(F)(F)C1CN(CC[C@@H]2CCCCO2)C1 ZINC000571630849 323150026 /nfs/dbraw/zinc/15/00/26/323150026.db2.gz XEEFYKZOWXITBT-JTQLQIEISA-N 0 1 237.265 2.440 20 0 BEADMN C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ncn(C)n1 ZINC000394887040 323152707 /nfs/dbraw/zinc/15/27/07/323152707.db2.gz RMWDFBOHTCCSEN-SRVKXCTJSA-N 0 1 236.363 2.292 20 0 BEADMN C[C@@H](N[C@H](C)c1cnn(C)c1)c1ccoc1 ZINC000303393872 323159158 /nfs/dbraw/zinc/15/91/58/323159158.db2.gz MPTFYCQBIHPNDW-NXEZZACHSA-N 0 1 219.288 2.425 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccoc1 ZINC000303393877 323159220 /nfs/dbraw/zinc/15/92/20/323159220.db2.gz MPTFYCQBIHPNDW-ZJUUUORDSA-N 0 1 219.288 2.425 20 0 BEADMN C[C@@H](NCc1ccccc1CO)c1ccncc1 ZINC000305143333 323167460 /nfs/dbraw/zinc/16/74/60/323167460.db2.gz XGBMORWSYCMGDR-GFCCVEGCSA-N 0 1 242.322 2.425 20 0 BEADMN CCOC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000070158363 323169683 /nfs/dbraw/zinc/16/96/83/323169683.db2.gz AMDGQGLUZHNMCR-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000391958463 323183653 /nfs/dbraw/zinc/18/36/53/323183653.db2.gz XNDLOHOMEIHQNI-UTUOFQBUSA-N 0 1 236.363 2.292 20 0 BEADMN FC1(F)CCC[C@@H]1CNCc1cocn1 ZINC000395102787 323187124 /nfs/dbraw/zinc/18/71/24/323187124.db2.gz JJMMEOCCUUNHME-MRVPVSSYSA-N 0 1 216.231 2.200 20 0 BEADMN CN(Cc1ccc2nc[nH]c2c1)CC(F)F ZINC000535823759 323192711 /nfs/dbraw/zinc/19/27/11/323192711.db2.gz OBOHWPYXIDPPNP-UHFFFAOYSA-N 0 1 225.242 2.260 20 0 BEADMN CCOc1cccc(NC(=O)c2cn[nH]c2C)c1 ZINC000064300527 323194457 /nfs/dbraw/zinc/19/44/57/323194457.db2.gz RZPLRSHMWFGWDD-UHFFFAOYSA-N 0 1 245.282 2.369 20 0 BEADMN CCC(CC)CN(CC)Cc1nncn1C ZINC000114725633 323195955 /nfs/dbraw/zinc/19/59/55/323195955.db2.gz VZTIJGOOROEIMG-UHFFFAOYSA-N 0 1 224.352 2.073 20 0 BEADMN Cc1nc(CN2C[C@@H](O)CC[C@H]2C)sc1C ZINC000399244903 323201560 /nfs/dbraw/zinc/20/15/60/323201560.db2.gz NGFHETBMUMBLGN-KCJUWKMLSA-N 0 1 240.372 2.105 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000054300061 323204120 /nfs/dbraw/zinc/20/41/20/323204120.db2.gz CITNMOVTDWOJPT-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN CC[C@H](F)C[N@@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530164686 323204748 /nfs/dbraw/zinc/20/47/48/323204748.db2.gz BTFLZFKPHRGXLL-KWQFWETISA-N 0 1 241.262 2.012 20 0 BEADMN CC[C@H](F)C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530164686 323204749 /nfs/dbraw/zinc/20/47/49/323204749.db2.gz BTFLZFKPHRGXLL-KWQFWETISA-N 0 1 241.262 2.012 20 0 BEADMN C[N@@H+](CCc1cccnc1)Cc1cccc(O)c1 ZINC000532566570 323277046 /nfs/dbraw/zinc/27/70/46/323277046.db2.gz LUTBBPALQGFIBL-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN C[N@@H+](CCCF)C1(C(=O)[O-])CCCCC1 ZINC000309123155 323318250 /nfs/dbraw/zinc/31/82/50/323318250.db2.gz VFQPTGPPTHFVRT-UHFFFAOYSA-N 0 1 217.284 2.065 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000309134995 323319036 /nfs/dbraw/zinc/31/90/36/323319036.db2.gz CURHMBHPNODAEA-RYUDHWBXSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H]1C[C@]1(C)OC(C)C ZINC000528008379 323748360 /nfs/dbraw/zinc/74/83/60/323748360.db2.gz TUIYQHPFZCYJNJ-BZPMIXESSA-N 0 1 249.358 2.392 20 0 BEADMN C1=CCC(CNc2nc(C3CC3)ns2)C1 ZINC000528116103 323768517 /nfs/dbraw/zinc/76/85/17/323768517.db2.gz URSJQRQDCAPFSX-UHFFFAOYSA-N 0 1 221.329 2.216 20 0 BEADMN CN(Cc1ccon1)Cc1ccc2nc[nH]c2c1 ZINC000537626250 324089222 /nfs/dbraw/zinc/08/92/22/324089222.db2.gz KVNPIHWNZHLZDG-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN Cn1ccc(CN2CCc3ccccc3CC2)n1 ZINC000537631119 324089796 /nfs/dbraw/zinc/08/97/96/324089796.db2.gz ZMWSHTOIISBNPZ-UHFFFAOYSA-N 0 1 241.338 2.021 20 0 BEADMN Cc1nn(C)c2ncc(CN3CCC3(C)C)cc12 ZINC000537634591 324091800 /nfs/dbraw/zinc/09/18/00/324091800.db2.gz AGRCRMPZBMLQJK-UHFFFAOYSA-N 0 1 244.342 2.261 20 0 BEADMN c1nc(N2CCCC2)ncc1CN1CCCCC1 ZINC000537721530 324100952 /nfs/dbraw/zinc/10/09/52/324100952.db2.gz HMGBBZSABDDWDV-UHFFFAOYSA-N 0 1 246.358 2.063 20 0 BEADMN CCN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000073599960 324114516 /nfs/dbraw/zinc/11/45/16/324114516.db2.gz ZXSKTSDNHHGOMK-ZDUSSCGKSA-N 0 1 248.370 2.375 20 0 BEADMN CC[C@@H](NCc1cnn(C)c1C)c1ccncc1 ZINC000162877271 324131159 /nfs/dbraw/zinc/13/11/59/324131159.db2.gz BHFCGNGAZXTILN-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN COCc1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000449424151 324139822 /nfs/dbraw/zinc/13/98/22/324139822.db2.gz CTWODUFPGRJZAU-CYBMUJFWSA-N 0 1 221.300 2.410 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@@H](NCC(F)F)C[C@H]1C ZINC000459539615 324148184 /nfs/dbraw/zinc/14/81/84/324148184.db2.gz CDTOQWPHPLCVHQ-OPRDCNLKSA-N 0 1 249.301 2.209 20 0 BEADMN CC1(C)C[C@@H](C(=O)NOCC2CC2)C(C)(C)O1 ZINC000529422667 324292811 /nfs/dbraw/zinc/29/28/11/324292811.db2.gz CKZJPVQLVKGNPG-JTQLQIEISA-N 0 1 241.331 2.038 20 0 BEADMN Fc1ccc(CNC2CC(F)(F)C2)nc1 ZINC000529557739 324341808 /nfs/dbraw/zinc/34/18/08/324341808.db2.gz XZELMLOVYZPHPX-UHFFFAOYSA-N 0 1 216.206 2.108 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)c1C ZINC000529592596 324356502 /nfs/dbraw/zinc/35/65/02/324356502.db2.gz WGZGYGDIUGEBNJ-GRYCIOLGSA-N 0 1 247.342 2.193 20 0 BEADMN CCc1cc(N2CCc3cnccc32)nc(C)n1 ZINC000542020228 325004795 /nfs/dbraw/zinc/00/47/95/325004795.db2.gz VHAMFAJREMXVRR-UHFFFAOYSA-N 0 1 240.310 2.437 20 0 BEADMN CCN(Cc1ccc(C(=O)OC)o1)C1CC1 ZINC000130208740 325023792 /nfs/dbraw/zinc/02/37/92/325023792.db2.gz UKWREHXKIDNELW-UHFFFAOYSA-N 0 1 223.272 2.051 20 0 BEADMN CCc1cnc(CN[C@@H]2CCSC2)s1 ZINC000130427835 325050893 /nfs/dbraw/zinc/05/08/93/325050893.db2.gz GADUFDACUFAXDD-MRVPVSSYSA-N 0 1 228.386 2.301 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])C[C@@H]1CCCCO1 ZINC000071286372 325066409 /nfs/dbraw/zinc/06/64/09/325066409.db2.gz UZTMIVOWZODLCI-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)N1CC(N(C)C)C1 ZINC000543582246 325095101 /nfs/dbraw/zinc/09/51/01/325095101.db2.gz SMMVHJPCZLUIJC-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC12CCCCC2 ZINC000545246751 325201235 /nfs/dbraw/zinc/20/12/35/325201235.db2.gz JBFPYFKVUQREDC-LBPRGKRZSA-N 0 1 247.342 2.305 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000073599928 325206046 /nfs/dbraw/zinc/20/60/46/325206046.db2.gz CWZXBETVTZJICQ-OLZOCXBDSA-N 0 1 248.370 2.422 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccc(F)cc1F ZINC000545396232 325218535 /nfs/dbraw/zinc/21/85/35/325218535.db2.gz DJZWXEAWBASPTR-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1cscc1NC(=O)c1ncccc1O ZINC000132745171 325242982 /nfs/dbraw/zinc/24/29/82/325242982.db2.gz VIULVSVSNLWLFM-UHFFFAOYSA-N 0 1 234.280 2.409 20 0 BEADMN C[C@@H](O)CCN(C)Cc1nc2ccccc2o1 ZINC000075778260 325311773 /nfs/dbraw/zinc/31/17/73/325311773.db2.gz DEADXNZHKXKHJT-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000075842732 325317557 /nfs/dbraw/zinc/31/75/57/325317557.db2.gz QSWRCIPLJZVHOO-WCQYABFASA-N 0 1 238.375 2.166 20 0 BEADMN COC1(CN[C@H](C)c2nccs2)CCC1 ZINC000134716497 325372961 /nfs/dbraw/zinc/37/29/61/325372961.db2.gz NVLCBKWFAJBJAF-SECBINFHSA-N 0 1 226.345 2.363 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000547770524 325395446 /nfs/dbraw/zinc/39/54/46/325395446.db2.gz MQJHVPSWLWWKJD-AXFHLTTASA-N 0 1 226.364 2.162 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000548096191 325428523 /nfs/dbraw/zinc/42/85/23/325428523.db2.gz DOFMJXQQBZMLJS-DCAQKATOSA-N 0 1 226.364 2.162 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000083934922 487968068 /nfs/dbraw/zinc/96/80/68/487968068.db2.gz MUSNGUREISUGGX-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](C(=O)Nc1cccc2cc[nH]c21)N(C)C ZINC000548147055 325435457 /nfs/dbraw/zinc/43/54/57/325435457.db2.gz CCZMYTMGNNCKQP-GFCCVEGCSA-N 0 1 245.326 2.447 20 0 BEADMN CC1(NC(=O)c2ccc3cncn3c2)CCC1 ZINC000550712892 325538229 /nfs/dbraw/zinc/53/82/29/325538229.db2.gz XXOMDBZUANCMEP-UHFFFAOYSA-N 0 1 229.283 2.007 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1ncc(C)s1 ZINC000556145810 325780837 /nfs/dbraw/zinc/78/08/37/325780837.db2.gz ORJDVDQSBSJCBG-DTWKUNHWSA-N 0 1 228.386 2.435 20 0 BEADMN C[C@@H]1C[C@H]1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000671148051 487970185 /nfs/dbraw/zinc/97/01/85/487970185.db2.gz DLIGQIIAQFZBDZ-HONMWMINSA-N 0 1 244.338 2.004 20 0 BEADMN Cc1ccncc1CN[C@H](C)c1cncnc1C ZINC000565371490 325902469 /nfs/dbraw/zinc/90/24/69/325902469.db2.gz DODWTBSXXIWGPB-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nc2ncccn2n1 ZINC000565704123 325945436 /nfs/dbraw/zinc/94/54/36/325945436.db2.gz VRURNXIAUMNFIC-SNVBAGLBSA-N 0 1 247.346 2.039 20 0 BEADMN CC[C@@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CCS1 ZINC000566359531 326036723 /nfs/dbraw/zinc/03/67/23/326036723.db2.gz IXHGVGFDKLFZOK-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CCc1ccccc1CC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000566357982 326036974 /nfs/dbraw/zinc/03/69/74/326036974.db2.gz BPVTWXUDFBWHJL-CQSZACIVSA-N 0 1 247.338 2.198 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000566432742 326046337 /nfs/dbraw/zinc/04/63/37/326046337.db2.gz IFTSMDJXQQCSJU-WOPDTQHZSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566467581 326052056 /nfs/dbraw/zinc/05/20/56/326052056.db2.gz VUWPBZJMOGYFCQ-DMDPSCGWSA-N 0 1 249.358 2.139 20 0 BEADMN O=C([O-])C1([N@@H+](Cc2ccncc2)C2CC2)CCC1 ZINC000566508168 326060119 /nfs/dbraw/zinc/06/01/19/326060119.db2.gz HCUKEYSHYAVETO-UHFFFAOYSA-N 0 1 246.310 2.053 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000566587845 326066470 /nfs/dbraw/zinc/06/64/70/326066470.db2.gz KWJPWDOKGHQQBU-GHMZBOCLSA-N 0 1 220.316 2.265 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000566587845 326066472 /nfs/dbraw/zinc/06/64/72/326066472.db2.gz KWJPWDOKGHQQBU-GHMZBOCLSA-N 0 1 220.316 2.265 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@@H]1C ZINC000566587851 326066483 /nfs/dbraw/zinc/06/64/83/326066483.db2.gz KWJPWDOKGHQQBU-QWRGUYRKSA-N 0 1 220.316 2.265 20 0 BEADMN C[C@H]1C[N@H+](Cc2ncccc2[O-])CC[C@@H]1C ZINC000566587851 326066484 /nfs/dbraw/zinc/06/64/84/326066484.db2.gz KWJPWDOKGHQQBU-QWRGUYRKSA-N 0 1 220.316 2.265 20 0 BEADMN c1nnc([C@H](N[C@H]2CC23CC3)c2ccccc2)[nH]1 ZINC000566614719 326067816 /nfs/dbraw/zinc/06/78/16/326067816.db2.gz KTDFIDALVMHCEA-NWDGAFQWSA-N 0 1 240.310 2.036 20 0 BEADMN c1nnc([C@H](N[C@@H]2CC23CC3)c2ccccc2)[nH]1 ZINC000566614721 326067916 /nfs/dbraw/zinc/06/79/16/326067916.db2.gz KTDFIDALVMHCEA-VXGBXAGGSA-N 0 1 240.310 2.036 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566625624 326069389 /nfs/dbraw/zinc/06/93/89/326069389.db2.gz CYYGQHKEGNLZAA-JTNHKYCSSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1cccnc1 ZINC000566920118 326094493 /nfs/dbraw/zinc/09/44/93/326094493.db2.gz HKOSNXBDNCQSSC-JQWIXIFHSA-N 0 1 248.326 2.328 20 0 BEADMN c1cnc(CN[C@@H]2CC[C@@H]2C2CCC2)nc1 ZINC000566984642 326100307 /nfs/dbraw/zinc/10/03/07/326100307.db2.gz OMOOLBMHJZKAAM-VXGBXAGGSA-N 0 1 217.316 2.145 20 0 BEADMN CC(C)CCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000153897442 326118490 /nfs/dbraw/zinc/11/84/90/326118490.db2.gz ATEZIYCLHJAAPV-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1cnc(CN(C)C[C@@H](C)COC)s1 ZINC000154062343 326128189 /nfs/dbraw/zinc/12/81/89/326128189.db2.gz OWZQAPYJUKHXDX-SNVBAGLBSA-N 0 1 242.388 2.420 20 0 BEADMN C[C@H](NCc1ccccc1CO)c1ccccn1 ZINC000154090125 326130082 /nfs/dbraw/zinc/13/00/82/326130082.db2.gz LXJSRTUFGGSLJS-LBPRGKRZSA-N 0 1 242.322 2.425 20 0 BEADMN O=C(NCCCF)c1ccc(O)c(Cl)c1 ZINC000154445726 326144589 /nfs/dbraw/zinc/14/45/89/326144589.db2.gz NDXNSHWMJUIGIC-UHFFFAOYSA-N 0 1 231.654 2.135 20 0 BEADMN Cc1noc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000309531954 326158165 /nfs/dbraw/zinc/15/81/65/326158165.db2.gz AAHHWKKLSHWCLX-VQXHTEKXSA-N 0 1 221.304 2.046 20 0 BEADMN C[S@@](=O)c1ccc(CN2CCCC2)cc1 ZINC000155407239 326195370 /nfs/dbraw/zinc/19/53/70/326195370.db2.gz WZYUDZXCUMGYDM-HNNXBMFYSA-N 0 1 223.341 2.020 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC(C)=C(C)C2)[nH]1 ZINC000567474897 326200045 /nfs/dbraw/zinc/20/00/45/326200045.db2.gz VYYCMBFCQRUIPS-JTQLQIEISA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC(C)=C(C)C2)n1 ZINC000567474897 326200048 /nfs/dbraw/zinc/20/00/48/326200048.db2.gz VYYCMBFCQRUIPS-JTQLQIEISA-N 0 1 248.330 2.442 20 0 BEADMN CCC[C@@H](C)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155674637 326207357 /nfs/dbraw/zinc/20/73/57/326207357.db2.gz QIXLTWLUTJECID-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CC1(CN2CCOc3cc(O)ccc3C2)CC1 ZINC000567520284 326209361 /nfs/dbraw/zinc/20/93/61/326209361.db2.gz JBGWPTGVQFEZLH-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@]12C[C@H]1CCC2 ZINC000567628569 326232899 /nfs/dbraw/zinc/23/28/99/326232899.db2.gz KRSFWSSOQQFUCO-JTNHKYCSSA-N 0 1 245.326 2.094 20 0 BEADMN CS[C@@H]1CC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000567722377 326250952 /nfs/dbraw/zinc/25/09/52/326250952.db2.gz CWZSRNXUYLNGND-MWLCHTKSSA-N 0 1 234.328 2.264 20 0 BEADMN CS[C@@H]1CC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000567722377 326250955 /nfs/dbraw/zinc/25/09/55/326250955.db2.gz CWZSRNXUYLNGND-MWLCHTKSSA-N 0 1 234.328 2.264 20 0 BEADMN CC(C)O[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000567789771 326258794 /nfs/dbraw/zinc/25/87/94/326258794.db2.gz DADMZGIICPHXOF-VXGBXAGGSA-N 0 1 235.331 2.037 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1C ZINC000677176849 487971927 /nfs/dbraw/zinc/97/19/27/487971927.db2.gz RGTHJMXPDUXVDI-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)[C@@H](C)N1CC(C)C1 ZINC000568105465 326309097 /nfs/dbraw/zinc/30/90/97/326309097.db2.gz VIWAMKUGIQYMFU-DGCLKSJQSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCCC(C)(C)C1 ZINC000568169055 326318927 /nfs/dbraw/zinc/31/89/27/326318927.db2.gz AFADRVBLXCJZJG-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC12CCC(CC1)C2 ZINC000568641091 326370550 /nfs/dbraw/zinc/37/05/50/326370550.db2.gz CNQFTIHBRGMZDS-JJMZSNKZSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1cccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)[nH+]1 ZINC000573210108 326435614 /nfs/dbraw/zinc/43/56/14/326435614.db2.gz BOIBMGSLQOZELI-NSHDSACASA-N 0 1 246.310 2.081 20 0 BEADMN c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCO1)CCO2 ZINC000682519677 487975414 /nfs/dbraw/zinc/97/54/14/487975414.db2.gz YLGHZJFNQNNZMC-AWEZNQCLSA-N 0 1 247.338 2.450 20 0 BEADMN CC(C)C1CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000677122887 487975959 /nfs/dbraw/zinc/97/59/59/487975959.db2.gz VSQNKDHUSDRQOL-UHFFFAOYSA-N 0 1 243.310 2.291 20 0 BEADMN FC(F)C(F)(F)COCCN1CC=CCC1 ZINC000682533108 487979468 /nfs/dbraw/zinc/97/94/68/487979468.db2.gz TXSOZVVFNNECOO-UHFFFAOYSA-N 0 1 241.228 2.165 20 0 BEADMN C[C@@]12COC[C@@H]1CN(Cc1ccc(Cl)o1)C2 ZINC000668595534 487981753 /nfs/dbraw/zinc/98/17/53/487981753.db2.gz POHQUOXAQMMYNH-JOYOIKCWSA-N 0 1 241.718 2.401 20 0 BEADMN CCC(C)(CC)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000672328519 487982736 /nfs/dbraw/zinc/98/27/36/487982736.db2.gz TZACQBJKCISIAG-QMMMGPOBSA-N 0 1 238.335 2.117 20 0 BEADMN CCN1CCN(c2nc3ccccc3o2)C[C@H]1C ZINC000677153324 487984080 /nfs/dbraw/zinc/98/40/80/487984080.db2.gz WSKZRGOGRADOCL-LLVKDONJSA-N 0 1 245.326 2.358 20 0 BEADMN CCN1CCN(c2nc3ccccc3o2)C[C@@H]1C ZINC000677153325 487984164 /nfs/dbraw/zinc/98/41/64/487984164.db2.gz WSKZRGOGRADOCL-NSHDSACASA-N 0 1 245.326 2.358 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000668598828 487987546 /nfs/dbraw/zinc/98/75/46/487987546.db2.gz OGSJJQNFKABYEI-REJLFOLJSA-N 0 1 247.338 2.360 20 0 BEADMN Cc1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1F ZINC000668600436 487991067 /nfs/dbraw/zinc/99/10/67/487991067.db2.gz PRPGBAOQWLNUAL-GXTWGEPZSA-N 0 1 235.302 2.091 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)C2(N(C)C)CC2)cc1 ZINC000666042610 487997242 /nfs/dbraw/zinc/99/72/42/487997242.db2.gz DJUAYHAJDASCMU-LBPRGKRZSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1 ZINC000685189911 487998707 /nfs/dbraw/zinc/99/87/07/487998707.db2.gz BLUYFDKCIHRLOT-UHFFFAOYSA-N 0 1 245.213 2.438 20 0 BEADMN CCN(C#N)CC[N@H+]1CCCC2(CC2)CC1 ZINC000602917011 488002627 /nfs/dbraw/zinc/00/26/27/488002627.db2.gz KWTAEWDIXPOKJA-UHFFFAOYSA-N 0 1 221.348 2.055 20 0 BEADMN CCN(C#N)CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000602917092 488002522 /nfs/dbraw/zinc/00/25/22/488002522.db2.gz RMDCKXNTZAXMLG-QWRGUYRKSA-N 0 1 245.317 2.012 20 0 BEADMN COCC1CCN(Cc2cc(C)ns2)CC1 ZINC000682673605 488010428 /nfs/dbraw/zinc/01/04/28/488010428.db2.gz RJBDGKVHCDYWJT-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1cc(CN2CCCSCC2)sn1 ZINC000682673828 488010736 /nfs/dbraw/zinc/01/07/36/488010736.db2.gz VMDBDBUXOJCRHH-UHFFFAOYSA-N 0 1 228.386 2.390 20 0 BEADMN CCCN(CC)Cc1cn(C2CCC2)nn1 ZINC000667463327 488014969 /nfs/dbraw/zinc/01/49/69/488014969.db2.gz JOEDZILBJMZEHD-UHFFFAOYSA-N 0 1 222.336 2.235 20 0 BEADMN CC[C@@H](O)CN[C@@H](C)c1nc(C)sc1C ZINC000229966299 488016367 /nfs/dbraw/zinc/01/63/67/488016367.db2.gz PVYLZDKJDRLMGR-OIBJUYFYSA-N 0 1 228.361 2.181 20 0 BEADMN CC(C)N(C)Cc1ccnn1CC1CC1 ZINC000667472670 488018406 /nfs/dbraw/zinc/01/84/06/488018406.db2.gz NFZIZDMEKIQLPK-UHFFFAOYSA-N 0 1 207.321 2.133 20 0 BEADMN CC(C)N(C)Cc1c(C(F)(F)F)cnn1C ZINC000667472979 488018918 /nfs/dbraw/zinc/01/89/18/488018918.db2.gz YLWAEBVTGOVSJW-UHFFFAOYSA-N 0 1 235.253 2.279 20 0 BEADMN CC1=CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000677380358 488026774 /nfs/dbraw/zinc/02/67/74/488026774.db2.gz YPURIXSZKSHPIX-ZDUSSCGKSA-N 0 1 245.322 2.478 20 0 BEADMN CCN(Cc1cc(C(F)(F)F)nn1C)C1CC1 ZINC000667500980 488030204 /nfs/dbraw/zinc/03/02/04/488030204.db2.gz IFBACLRHGKERKU-UHFFFAOYSA-N 0 1 247.264 2.423 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cn(C2CCC2)nn1 ZINC000667511906 488034919 /nfs/dbraw/zinc/03/49/19/488034919.db2.gz YCFJRQWDUANQQA-JTQLQIEISA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1CCCN1CN1CC2(CCCC2)OC1=O ZINC000495644338 533718014 /nfs/dbraw/zinc/71/80/14/533718014.db2.gz KEMQMPNDSUKLPM-LLVKDONJSA-N 0 1 238.331 2.193 20 0 BEADMN C[C@@H]1CC[C@H](CN2CC[C@@H](C)[C@H](F)C2)O1 ZINC000682773077 488037675 /nfs/dbraw/zinc/03/76/75/488037675.db2.gz XVXCGVFMBVUJSG-DDHJBXDOSA-N 0 1 215.312 2.234 20 0 BEADMN C[C@@H]1CC[C@H](CN2CC[C@H](C)[C@H](F)C2)O1 ZINC000682773078 488037890 /nfs/dbraw/zinc/03/78/90/488037890.db2.gz XVXCGVFMBVUJSG-IRCOFANPSA-N 0 1 215.312 2.234 20 0 BEADMN CCC1(CNCc2ncc(C)o2)CCOCC1 ZINC000682780129 488040416 /nfs/dbraw/zinc/04/04/16/488040416.db2.gz BHYRJNNXQKQHON-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1nccs1 ZINC000396870220 488046650 /nfs/dbraw/zinc/04/66/50/488046650.db2.gz ILEDGLBUGGAUCV-RKDXNWHRSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000269459840 488051432 /nfs/dbraw/zinc/05/14/32/488051432.db2.gz XRHPPEJZIMHQRD-LTGWCKQJSA-N 0 1 238.356 2.422 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)nc(C)n2)CCCO1 ZINC000660468519 488051402 /nfs/dbraw/zinc/05/14/02/488051402.db2.gz JYQWZSRJPWPITG-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1nc(CN2C[C@@H]3CCC[C@H]3C2)[nH]c1C ZINC000628176861 488059865 /nfs/dbraw/zinc/05/98/65/488059865.db2.gz AGJJFUWUMVUKDG-RYUDHWBXSA-N 0 1 219.332 2.258 20 0 BEADMN CO[C@@H](CN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000670084236 488071504 /nfs/dbraw/zinc/07/15/04/488071504.db2.gz FWQNXRRMFMLEOX-AWEZNQCLSA-N 0 1 245.326 2.229 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1C[C@@H]1C ZINC000682955636 488072872 /nfs/dbraw/zinc/07/28/72/488072872.db2.gz UDOWAUBWVLIBMI-XVKPBYJWSA-N 0 1 229.283 2.466 20 0 BEADMN COc1cccc(-n2[nH]c(C3CC3)cc2=O)c1 ZINC000123521260 488073671 /nfs/dbraw/zinc/07/36/71/488073671.db2.gz NHZKTPNLFNZLQX-UHFFFAOYSA-N 0 1 230.267 2.198 20 0 BEADMN Cc1ccc(CNCc2nc(C)ccc2O)o1 ZINC000091995300 488079684 /nfs/dbraw/zinc/07/96/84/488079684.db2.gz RUCGUIWOEIDGOD-UHFFFAOYSA-N 0 1 232.283 2.287 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cnco1 ZINC000677598598 488082656 /nfs/dbraw/zinc/08/26/56/488082656.db2.gz FLIILAYKLAMLKZ-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN Cc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1C ZINC000092150343 488083589 /nfs/dbraw/zinc/08/35/89/488083589.db2.gz SGYHOXVRJMOSBJ-YFKPBYRVSA-N 0 1 242.200 2.463 20 0 BEADMN Cc1ccnc(CN2CCCO[C@@H](C)C2)c1 ZINC000683006699 488087310 /nfs/dbraw/zinc/08/73/10/488087310.db2.gz QWCHJOZDABSCJF-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN c1cnc(CN2C3CCCC2CCC3)nc1 ZINC000683011167 488090876 /nfs/dbraw/zinc/09/08/76/488090876.db2.gz NMHKDKJWQPKLAS-UHFFFAOYSA-N 0 1 217.316 2.384 20 0 BEADMN Cc1cccc(NCC2CCC(O)CC2)n1 ZINC000227707557 488092189 /nfs/dbraw/zinc/09/21/89/488092189.db2.gz SLGDXIRKXSJIEN-UHFFFAOYSA-N 0 1 220.316 2.353 20 0 BEADMN O=C1NCCCC[C@@H]1N1CC[C@H]1c1ccccc1 ZINC000677687078 488092210 /nfs/dbraw/zinc/09/22/10/488092210.db2.gz CXCPGEBUUTYQDS-KBPBESRZSA-N 0 1 244.338 2.102 20 0 BEADMN Cc1ccnc(CN2CCCOC[C@H]2C)c1 ZINC000683018007 488093761 /nfs/dbraw/zinc/09/37/61/488093761.db2.gz JYOBCFKVKIPBIY-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN c1nc2n(c1CN1[C@H]3C=CC[C@@H]1CC3)CCC2 ZINC000667709842 488096145 /nfs/dbraw/zinc/09/61/45/488096145.db2.gz PDUDDZIKDVIVIN-NWDGAFQWSA-N 0 1 229.327 2.122 20 0 BEADMN COCC1(N(C)Cc2cc(C)ccn2)CC1 ZINC000683019859 488096424 /nfs/dbraw/zinc/09/64/24/488096424.db2.gz VNCCJVCHMYAZGH-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN Cn1cncc1CN1CC(Cc2ccccc2)C1 ZINC000677716838 488099282 /nfs/dbraw/zinc/09/92/82/488099282.db2.gz IUUOJFQIGHJVGS-UHFFFAOYSA-N 0 1 241.338 2.095 20 0 BEADMN COc1ccc(CN2CC[C@H](C(F)F)C2)cn1 ZINC000677730438 488108187 /nfs/dbraw/zinc/10/81/87/488108187.db2.gz ITSWKKZWSTZCDG-JTQLQIEISA-N 0 1 242.269 2.177 20 0 BEADMN Clc1cccnc1N[C@H]1CCN(C2CC2)C1 ZINC000044725829 488110349 /nfs/dbraw/zinc/11/03/49/488110349.db2.gz JPZBBJJGYISZAH-VIFPVBQESA-N 0 1 237.734 2.384 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403170296 488117093 /nfs/dbraw/zinc/11/70/93/488117093.db2.gz CMTXSDAUSYBKAH-XQHKEYJVSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1csc(CN[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000667775116 488117820 /nfs/dbraw/zinc/11/78/20/488117820.db2.gz BMQVWSOGMNFNGW-QWRGUYRKSA-N 0 1 238.356 2.109 20 0 BEADMN CN[C@H](C)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000258469473 488118885 /nfs/dbraw/zinc/11/88/85/488118885.db2.gz DSRSOTHLZHDXOI-MRVPVSSYSA-N 0 1 236.706 2.201 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403234747 488118794 /nfs/dbraw/zinc/11/87/94/488118794.db2.gz PLLGKHLNOVARCX-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cn1 ZINC000397479644 488119842 /nfs/dbraw/zinc/11/98/42/488119842.db2.gz CVXSSVPEMOULON-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@H](O)C1(NCc2cscc2Cl)CC1 ZINC000668698149 488128762 /nfs/dbraw/zinc/12/87/62/488128762.db2.gz VRXULNCYFOUJRD-ZETCQYMHSA-N 0 1 231.748 2.405 20 0 BEADMN Cc1ccnc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000683223401 488132705 /nfs/dbraw/zinc/13/27/05/488132705.db2.gz WTBBFBCOARLKJM-DABQJJPHSA-N 0 1 234.343 2.124 20 0 BEADMN CCc1noc(CN2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000674252333 487538391 /nfs/dbraw/zinc/53/83/91/487538391.db2.gz PAGHZJYXWCIHPC-GHMZBOCLSA-N 0 1 235.331 2.254 20 0 BEADMN C[C@@H](C(=O)N(C)C1CCCCCC1)N(C)C ZINC000674264848 487542550 /nfs/dbraw/zinc/54/25/50/487542550.db2.gz AQLDXJUOOJRVBK-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN1CCc2nn[nH]c2C1 ZINC000668790855 487542677 /nfs/dbraw/zinc/54/26/77/487542677.db2.gz FPUHGIQCGMCROG-RYUDHWBXSA-N 0 1 246.358 2.155 20 0 BEADMN CC[C@H](C)CCCCC(=O)NCc1nnc[nH]1 ZINC000680189311 487543301 /nfs/dbraw/zinc/54/33/01/487543301.db2.gz PQDZSPNTHDQGIX-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(CN)o1 ZINC000094572817 487543490 /nfs/dbraw/zinc/54/34/90/487543490.db2.gz YBDUQJQUWKMCJS-ZJUUUORDSA-N 0 1 238.331 2.293 20 0 BEADMN c1cc(OC[C@H]2CCOC2)c2c(n1)CCCC2 ZINC000655702492 487544747 /nfs/dbraw/zinc/54/47/47/487544747.db2.gz YPNYPJLEMDLPTI-NSHDSACASA-N 0 1 233.311 2.376 20 0 BEADMN CN(CC1CCCC1)C(=O)c1ccc(CN)o1 ZINC000094571984 487544950 /nfs/dbraw/zinc/54/49/50/487544950.db2.gz LNMPAQMIIZGQBL-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN CCc1nc(S[C@@H]2C[C@@H](C)CCC2=O)n[nH]1 ZINC000334624160 487529984 /nfs/dbraw/zinc/52/99/84/487529984.db2.gz OOMNNSVOOOWLPA-IONNQARKSA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@@H]2C[C@@H](C)CCC2=O)n1 ZINC000334624160 487529988 /nfs/dbraw/zinc/52/99/88/487529988.db2.gz OOMNNSVOOOWLPA-IONNQARKSA-N 0 1 239.344 2.217 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@@H]1C(=O)[O-])C(C)(C)C ZINC000308833148 487547209 /nfs/dbraw/zinc/54/72/09/487547209.db2.gz UZACEJFWGGMEMP-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)CCCCC(=O)N1CC(N(C)C)C1 ZINC000680220725 487549377 /nfs/dbraw/zinc/54/93/77/487549377.db2.gz LCNVFMSGFNVRQV-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CCCCC(=O)N1CC(N(C)C)C1 ZINC000680220727 487549395 /nfs/dbraw/zinc/54/93/95/487549395.db2.gz LCNVFMSGFNVRQV-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN COCC1(N(C)Cc2scnc2C)CC1 ZINC000685570269 487551730 /nfs/dbraw/zinc/55/17/30/487551730.db2.gz YPMXRJWQTPQIHV-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2c(O)cccc2F)C1 ZINC000228854083 518184880 /nfs/dbraw/zinc/18/48/80/518184880.db2.gz UYHOMTQDDHZENA-IUCAKERBSA-N 0 1 237.274 2.402 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000680254901 487553495 /nfs/dbraw/zinc/55/34/95/487553495.db2.gz GSLLDAJQNQTXCQ-PJXYFTJBSA-N 0 1 245.326 2.132 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2(C)CCC2)c1 ZINC000680258602 487554187 /nfs/dbraw/zinc/55/41/87/487554187.db2.gz VBSUUYVPNVVITD-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000086790438 487556079 /nfs/dbraw/zinc/55/60/79/487556079.db2.gz RUSKJHLHQHOCIH-AAEUAGOBSA-N 0 1 231.295 2.080 20 0 BEADMN COCc1csc([C@H]2CCCCN2)n1 ZINC000231692719 487471031 /nfs/dbraw/zinc/47/10/31/487471031.db2.gz XFFAQOJACPFYEL-SECBINFHSA-N 0 1 212.318 2.104 20 0 BEADMN C[C@@H](NCC(=O)N1CCCC1)c1ccsc1 ZINC000061363531 487473033 /nfs/dbraw/zinc/47/30/33/487473033.db2.gz ULWZGHCLELEVCW-SNVBAGLBSA-N 0 1 238.356 2.021 20 0 BEADMN CCC[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000670764915 487485623 /nfs/dbraw/zinc/48/56/23/487485623.db2.gz SWOOZZJBAQOLBI-SNVBAGLBSA-N 0 1 231.299 2.253 20 0 BEADMN C[C@@H](C[N@H+]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000380800480 487487032 /nfs/dbraw/zinc/48/70/32/487487032.db2.gz HZETXIBIBBWYQJ-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@@H](F)C1 ZINC000563330186 487490406 /nfs/dbraw/zinc/49/04/06/487490406.db2.gz YCBCCXYJIFNAMY-MRVPVSSYSA-N 0 1 241.237 2.105 20 0 BEADMN CCC1CN(Cc2c(C3CC3)cnn2C)C1 ZINC000668229689 487492937 /nfs/dbraw/zinc/49/29/37/487492937.db2.gz QLFYLVOPJPIZHG-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN C[N@@H+](CCC(C)(C)C)[C@@H](C(=O)[O-])C1CC1 ZINC000399689051 487494938 /nfs/dbraw/zinc/49/49/38/487494938.db2.gz FTLFVUYKEMDDMV-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)CCN(C)C(=O)c1ccc2cncn2c1 ZINC000670768821 487496330 /nfs/dbraw/zinc/49/63/30/487496330.db2.gz WGTOPUBWXIIJGW-UHFFFAOYSA-N 0 1 245.326 2.452 20 0 BEADMN CCc1cnc(CN2CCC[C@@H](OC)CC2)o1 ZINC000679951445 487502125 /nfs/dbraw/zinc/50/21/25/487502125.db2.gz KNOSPHDLMPRRQT-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCn1cc(CN(C)CC2=CCSC2)cn1 ZINC000662266741 487503703 /nfs/dbraw/zinc/50/37/03/487503703.db2.gz LWJZENOFCPBNFC-UHFFFAOYSA-N 0 1 237.372 2.008 20 0 BEADMN C[C@H](Cc1ccsc1)N1CCc2c[nH]nc2C1 ZINC000679990625 487511475 /nfs/dbraw/zinc/51/14/75/487511475.db2.gz WXWFLYPSGNXZOQ-SNVBAGLBSA-N 0 1 247.367 2.461 20 0 BEADMN C[C@@H](CNC(=O)c1ccc2cncn2c1)C1CC1 ZINC000670776526 487507308 /nfs/dbraw/zinc/50/73/08/487507308.db2.gz UUHLSKJYZUNYSM-JTQLQIEISA-N 0 1 243.310 2.110 20 0 BEADMN CCc1cc(N2CCc3cnccc32)ncn1 ZINC000674068183 487508806 /nfs/dbraw/zinc/50/88/06/487508806.db2.gz REPIDKPDLPFQSX-UHFFFAOYSA-N 0 1 226.283 2.128 20 0 BEADMN CN(Cc1cn[nH]c1)C1CC(OC(C)(C)C)C1 ZINC000680010813 487517090 /nfs/dbraw/zinc/51/70/90/487517090.db2.gz IHSPBMDSKHQXBJ-UHFFFAOYSA-N 0 1 237.347 2.188 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nc(C)oc2C)C1(C)C ZINC000660699773 487517498 /nfs/dbraw/zinc/51/74/98/487517498.db2.gz HUMOPIGUVKMMBT-NWDGAFQWSA-N 0 1 238.331 2.195 20 0 BEADMN Cc1cnccc1CN(C)CC1=CCSC1 ZINC000668774962 487519823 /nfs/dbraw/zinc/51/98/23/487519823.db2.gz MNVSPLVKPHQCCI-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN COCc1noc([C@H](C)N[C@H](C)C2CCC2)n1 ZINC000680017232 487519211 /nfs/dbraw/zinc/51/92/11/487519211.db2.gz LNVCMPWJPYVQSU-BDAKNGLRSA-N 0 1 239.319 2.055 20 0 BEADMN c1csc(CNC[C@H]2COc3ccccc32)n1 ZINC000674166675 487526904 /nfs/dbraw/zinc/52/69/04/487526904.db2.gz ZMISNKUXHHVDOP-JTQLQIEISA-N 0 1 246.335 2.409 20 0 BEADMN CCC[C@H](CN(C)CC(=O)NC)c1ccccc1 ZINC000668788356 487533811 /nfs/dbraw/zinc/53/38/11/487533811.db2.gz NIOZNADNIOHVAP-CQSZACIVSA-N 0 1 248.370 2.248 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000390410101 488154961 /nfs/dbraw/zinc/15/49/61/488154961.db2.gz FSBANASCBLJQAA-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN(C)C2(CO)CC2)o1 ZINC000668801893 487565326 /nfs/dbraw/zinc/56/53/26/487565326.db2.gz ZBROSCODQJCMIG-ZYHUDNBSSA-N 0 1 235.327 2.360 20 0 BEADMN c1cncc([C@@H](NCc2cncnc2)C2CC2)c1 ZINC000536162803 487605651 /nfs/dbraw/zinc/60/56/51/487605651.db2.gz IQZOIRYJJSVKOC-AWEZNQCLSA-N 0 1 240.310 2.113 20 0 BEADMN C[C@@H](C(=O)NCC1(C)CCCCC1)N(C)C ZINC000675144065 487674032 /nfs/dbraw/zinc/67/40/32/487674032.db2.gz ZLVQQYAPYYEQCV-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H]1CC12CCC2 ZINC000675941211 487795123 /nfs/dbraw/zinc/79/51/23/487795123.db2.gz LYAVTCZTGPOZHG-QWRGUYRKSA-N 0 1 245.326 2.094 20 0 BEADMN Cc1nc2cc(NCc3cn[nH]c3)ccc2n1C ZINC000676326104 487837362 /nfs/dbraw/zinc/83/73/62/487837362.db2.gz RVCHVOPQCJEGJG-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN c1n[nH]c2c1CCN(c1nc3ccccc3o1)C2 ZINC000676768444 487923951 /nfs/dbraw/zinc/92/39/51/487923951.db2.gz XDDIVFSOLFWXKB-UHFFFAOYSA-N 0 1 240.266 2.114 20 0 BEADMN C[C@H]1N(Cc2ccc(O)cc2)CCOC1(C)C ZINC000682404019 487947908 /nfs/dbraw/zinc/94/79/08/487947908.db2.gz ABIKHWUANDNVQY-LLVKDONJSA-N 0 1 235.327 2.392 20 0 BEADMN c1ccc2c(c1)C[C@@H]2c1nc([C@H]2CCCN2)no1 ZINC000090986710 488016818 /nfs/dbraw/zinc/01/68/18/488016818.db2.gz ISMZDQCCBOCYMJ-NWDGAFQWSA-N 0 1 241.294 2.182 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cocn1 ZINC000682955088 488072280 /nfs/dbraw/zinc/07/22/80/488072280.db2.gz IEHDHDJJPBCZLV-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1nc2cc(NCc3cocn3)ccc2n1C ZINC000683203698 488129439 /nfs/dbraw/zinc/12/94/39/488129439.db2.gz OZGQZKJEIAEGAK-UHFFFAOYSA-N 0 1 242.282 2.482 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000379491001 488140714 /nfs/dbraw/zinc/14/07/14/488140714.db2.gz QGHYNUIBKZQHBG-BDAKNGLRSA-N 0 1 201.310 2.074 20 0 BEADMN C1CN[C@H](c2noc([C@@H]3CCCSC3)n2)C1 ZINC000258896488 488141683 /nfs/dbraw/zinc/14/16/83/488141683.db2.gz OAPIBKQESYMROL-BDAKNGLRSA-N 0 1 239.344 2.105 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000667872499 488143779 /nfs/dbraw/zinc/14/37/79/488143779.db2.gz BISMWLZEZMCDRV-KBPBESRZSA-N 0 1 249.358 2.121 20 0 BEADMN c1coc([C@@H]2CCN(Cc3cocn3)C2)c1 ZINC000683351498 488151381 /nfs/dbraw/zinc/15/13/81/488151381.db2.gz GPPLJHNLOCDDNO-SNVBAGLBSA-N 0 1 218.256 2.257 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000390410108 488154910 /nfs/dbraw/zinc/15/49/10/488154910.db2.gz FSBANASCBLJQAA-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CCN1CC[C@H](N[C@H](C)c2ccsc2)C1=O ZINC000390446320 488157813 /nfs/dbraw/zinc/15/78/13/488157813.db2.gz XTJHNLLMZWKOOI-KOLCDFICSA-N 0 1 238.356 2.020 20 0 BEADMN CCN1CC[C@@H](N[C@H](C)c2ccsc2)C1=O ZINC000390446322 488157961 /nfs/dbraw/zinc/15/79/61/488157961.db2.gz XTJHNLLMZWKOOI-MWLCHTKSSA-N 0 1 238.356 2.020 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000230797868 488158099 /nfs/dbraw/zinc/15/80/99/488158099.db2.gz HPPWXBPOFQBKGX-BXUZGUMPSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@H](CC(=O)N1CC(N(C)C)C1)CC(C)(C)C ZINC000677944157 488158370 /nfs/dbraw/zinc/15/83/70/488158370.db2.gz VHCBMKGKUJQTHX-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCOc2ccc(O)cc2C1 ZINC000668725010 488166764 /nfs/dbraw/zinc/16/67/64/488166764.db2.gz XUNXARIVBNACFB-GHMZBOCLSA-N 0 1 233.311 2.243 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000453386184 488190126 /nfs/dbraw/zinc/19/01/26/488190126.db2.gz BDOMFIBBTUBILX-QJPTWQEYSA-N 0 1 237.347 2.408 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000453397979 488191078 /nfs/dbraw/zinc/19/10/78/488191078.db2.gz ISDDTULNOJVSKU-HBNTYKKESA-N 0 1 223.320 2.018 20 0 BEADMN COCc1csc(CN2CC(C)C2)c1 ZINC000668093881 488197520 /nfs/dbraw/zinc/19/75/20/488197520.db2.gz WLYOCZBAIFNVIX-UHFFFAOYSA-N 0 1 211.330 2.346 20 0 BEADMN CCCN(C)Cc1cn2cccc(F)c2n1 ZINC000678132640 488203053 /nfs/dbraw/zinc/20/30/53/488203053.db2.gz IDOPGTJRAJTKIU-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683637820 488204626 /nfs/dbraw/zinc/20/46/26/488204626.db2.gz HEKPHIYJEFCDIO-ONGXEEELSA-N 0 1 249.358 2.322 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683637816 488204643 /nfs/dbraw/zinc/20/46/43/488204643.db2.gz HEKPHIYJEFCDIO-KOLCDFICSA-N 0 1 249.358 2.322 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Nc1ccccc1 ZINC000678142876 488206612 /nfs/dbraw/zinc/20/66/12/488206612.db2.gz BQKGLPCEGXSKGT-NWDGAFQWSA-N 0 1 247.342 2.243 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000054067813 488207805 /nfs/dbraw/zinc/20/78/05/488207805.db2.gz YTMFCHMBYGLGHC-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN CCOC1CCC(NCC(F)F)CC1 ZINC000668146624 488208957 /nfs/dbraw/zinc/20/89/57/488208957.db2.gz MHVQHPWADSMZBQ-UHFFFAOYSA-N 0 1 207.264 2.189 20 0 BEADMN FC(F)(F)C[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000683719740 488212649 /nfs/dbraw/zinc/21/26/49/488212649.db2.gz COXZWSIVHOHUJT-QMMMGPOBSA-N 0 1 233.237 2.184 20 0 BEADMN CO[C@@H]1CCC[C@@H](N[C@H](C)c2csnn2)C1 ZINC000398382165 488216456 /nfs/dbraw/zinc/21/64/56/488216456.db2.gz TWSASYDRAHVDTA-OPRDCNLKSA-N 0 1 241.360 2.146 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2ncc(C)o2)CCO1 ZINC000231640969 488218310 /nfs/dbraw/zinc/21/83/10/488218310.db2.gz CPZARDGEHAPYAF-WDEREUQCSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cnc(CNC[C@H]2Cc3ccccc32)o1 ZINC000231650849 488219111 /nfs/dbraw/zinc/21/91/11/488219111.db2.gz UWATWMOOHQRGJF-GFCCVEGCSA-N 0 1 228.295 2.413 20 0 BEADMN COCc1csc(CN2CC[C@H]2COC)c1 ZINC000668192632 488219845 /nfs/dbraw/zinc/21/98/45/488219845.db2.gz IULOGAUBBHTFMG-NSHDSACASA-N 0 1 241.356 2.115 20 0 BEADMN COc1ncccc1CN1C2CCC1CC2 ZINC000683779352 488220211 /nfs/dbraw/zinc/22/02/11/488220211.db2.gz HOGWNILEGDXZIR-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCC2)[C@H](C(=O)[O-])C1 ZINC000398735025 488223559 /nfs/dbraw/zinc/22/35/59/488223559.db2.gz NVRJTVIKRPUKTF-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CCN1CCN(Cc2ccc(Cl)o2)C[C@@H]1C ZINC000678259059 488227108 /nfs/dbraw/zinc/22/71/08/488227108.db2.gz YBBQCYPTQIUGBI-JTQLQIEISA-N 0 1 242.750 2.459 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1Cc1[nH]nc2ccccc21 ZINC000678267367 488230828 /nfs/dbraw/zinc/23/08/28/488230828.db2.gz PQBAHEAGJSFAIH-MNOVXSKESA-N 0 1 245.326 2.172 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432259 488236333 /nfs/dbraw/zinc/23/63/33/488236333.db2.gz BTOJKEBWTNTSEM-UHFFFAOYSA-N 0 1 211.261 2.128 20 0 BEADMN Cc1ccc(F)c(CN2CCc3cn[nH]c3C2)c1 ZINC000678272910 488233764 /nfs/dbraw/zinc/23/37/64/488233764.db2.gz DYNWZCGHBKSZMK-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CC(C)n1cc(CN2CCCOC[C@H]2C)cn1 ZINC000678275133 488234655 /nfs/dbraw/zinc/23/46/55/488234655.db2.gz UPKKWUIIHFPVEJ-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000193298634 488235528 /nfs/dbraw/zinc/23/55/28/488235528.db2.gz OVCNRHKUGHVQLS-STQMWFEESA-N 0 1 248.374 2.453 20 0 BEADMN FC(F)(F)[C@H]1CCN(Cc2ccccn2)C1 ZINC000678314678 488239945 /nfs/dbraw/zinc/23/99/45/488239945.db2.gz AOIJBOKKVJOPKB-VIFPVBQESA-N 0 1 230.233 2.466 20 0 BEADMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cn[nH]c1 ZINC000683900236 488242128 /nfs/dbraw/zinc/24/21/28/488242128.db2.gz RWXRCPYDAQUIFL-GFCCVEGCSA-N 0 1 245.330 2.087 20 0 BEADMN Cc1ccc(OC[C@H](O)CN2CC(C)(C)C2)cc1 ZINC000683924973 488245796 /nfs/dbraw/zinc/24/57/96/488245796.db2.gz ZWKIJMWXODNGGN-CYBMUJFWSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)CC[C@H](O)CN1CC[C@@H](C)[C@H](F)C1 ZINC000684619634 488334298 /nfs/dbraw/zinc/33/42/98/488334298.db2.gz HTEWRPOCAKVNAK-FRRDWIJNSA-N 0 1 231.355 2.463 20 0 BEADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N(C)C(C)C ZINC000684162190 488270653 /nfs/dbraw/zinc/27/06/53/488270653.db2.gz ZEABHAHVHHTPLU-UHFFFAOYSA-N 0 1 249.236 2.217 20 0 BEADMN CC1(CCNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000684321874 488288995 /nfs/dbraw/zinc/28/89/95/488288995.db2.gz IPCCAMJPIQFMNB-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H]2C(C)C)n[nH]1 ZINC000678879021 488292591 /nfs/dbraw/zinc/29/25/91/488292591.db2.gz VEYFZIXIQJVJIM-LBPRGKRZSA-N 0 1 235.331 2.233 20 0 BEADMN COc1ccc(CN2CC[C@H](C(F)F)C2)nc1 ZINC000678892714 488294060 /nfs/dbraw/zinc/29/40/60/488294060.db2.gz YJCLPLBRVSRYAF-VIFPVBQESA-N 0 1 242.269 2.177 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cccc(CO)c2)[nH]n1 ZINC000678944681 488297382 /nfs/dbraw/zinc/29/73/82/488297382.db2.gz BQOHXKUXAWQNBP-NSHDSACASA-N 0 1 245.326 2.061 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccc(CO)c2)[nH]n1 ZINC000678944680 488297452 /nfs/dbraw/zinc/29/74/52/488297452.db2.gz BQOHXKUXAWQNBP-LLVKDONJSA-N 0 1 245.326 2.061 20 0 BEADMN O=C(Cc1ccn[nH]1)N(C1CC1)C1CCCCC1 ZINC000673646350 488299728 /nfs/dbraw/zinc/29/97/28/488299728.db2.gz GNVXTXVRTLMXPA-UHFFFAOYSA-N 0 1 247.342 2.276 20 0 BEADMN CCc1cnc(CNC2(CO)CCCCC2)o1 ZINC000678972637 488300288 /nfs/dbraw/zinc/30/02/88/488300288.db2.gz OKQNNLLGUBDUDN-UHFFFAOYSA-N 0 1 238.331 2.022 20 0 BEADMN CN(Cc1ccsc1)C(=O)CCc1cnc[nH]1 ZINC000684363300 488301279 /nfs/dbraw/zinc/30/12/79/488301279.db2.gz NWVLUKHVICCLHI-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN CCCn1cc(CN2CC(C(C)C)C2)cn1 ZINC000684408457 488308038 /nfs/dbraw/zinc/30/80/38/488308038.db2.gz PLTCWGPVPMLGIB-UHFFFAOYSA-N 0 1 221.348 2.381 20 0 BEADMN COCC[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127510 488311336 /nfs/dbraw/zinc/31/13/36/488311336.db2.gz NNNPABOBVYJHRE-NSHDSACASA-N 0 1 246.314 2.104 20 0 BEADMN COCC[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127509 488311357 /nfs/dbraw/zinc/31/13/57/488311357.db2.gz NNNPABOBVYJHRE-LLVKDONJSA-N 0 1 246.314 2.104 20 0 BEADMN C[C@H]1CCN(CCc2ccncc2)C[C@@H]1F ZINC000679220979 488319415 /nfs/dbraw/zinc/31/94/15/488319415.db2.gz KNPHATIHDUGVED-AAEUAGOBSA-N 0 1 222.307 2.304 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@@H]1F ZINC000679224901 488321367 /nfs/dbraw/zinc/32/13/67/488321367.db2.gz VCEFGRJALDOPDU-WOPDTQHZSA-N 0 1 215.312 2.235 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C)C1)N(C)C ZINC000684527768 488325951 /nfs/dbraw/zinc/32/59/51/488325951.db2.gz ZVXRJDLHXBJDCY-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](CCO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684574663 488328178 /nfs/dbraw/zinc/32/81/78/488328178.db2.gz LZZXYLMMGYVPKC-JTQLQIEISA-N 0 1 246.310 2.371 20 0 BEADMN CO[C@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000684577713 488328853 /nfs/dbraw/zinc/32/88/53/488328853.db2.gz RGFNCEOKEUWKCQ-JTQLQIEISA-N 0 1 244.294 2.166 20 0 BEADMN CCc1cc(C)nc(NCC[N@@H+]2CC=CCC2)n1 ZINC000684598696 488330584 /nfs/dbraw/zinc/33/05/84/488330584.db2.gz CFLYTGMCPYCRCE-UHFFFAOYSA-N 0 1 246.358 2.021 20 0 BEADMN CCc1cc(C)nc(NCCN2CC=CCC2)n1 ZINC000684598696 488330585 /nfs/dbraw/zinc/33/05/85/488330585.db2.gz CFLYTGMCPYCRCE-UHFFFAOYSA-N 0 1 246.358 2.021 20 0 BEADMN Cc1ccc(O)c(CN2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679359883 488345595 /nfs/dbraw/zinc/34/55/95/488345595.db2.gz ROTXTOOWUGRRNX-MWLCHTKSSA-N 0 1 238.306 2.276 20 0 BEADMN CC(=O)Nc1ccccc1Nc1ccncc1 ZINC000684851015 488349532 /nfs/dbraw/zinc/34/95/32/488349532.db2.gz KWHPWWPNZSTNRY-UHFFFAOYSA-N 0 1 227.267 2.206 20 0 BEADMN Cc1cc(CNc2ccnc(C)c2Cl)ncn1 ZINC000684889489 488350544 /nfs/dbraw/zinc/35/05/44/488350544.db2.gz BZEVLVCYTPOCEW-UHFFFAOYSA-N 0 1 248.717 2.176 20 0 BEADMN Cc1nccc(N(C)C[C@@H](O)C2CC2)c1Cl ZINC000684889048 488350697 /nfs/dbraw/zinc/35/06/97/488350697.db2.gz FUUZJNZDWHWSMS-LLVKDONJSA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@H]1CN(Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000679395975 488350707 /nfs/dbraw/zinc/35/07/07/488350707.db2.gz KVZHOPNYZMMELI-FZMZJTMJSA-N 0 1 235.327 2.392 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(O)cc2)C[C@@H](C)O1 ZINC000679395974 488350799 /nfs/dbraw/zinc/35/07/99/488350799.db2.gz KVZHOPNYZMMELI-BXUZGUMPSA-N 0 1 235.327 2.392 20 0 BEADMN Cc1ccc([C@@H](C)N(C)C(=O)[C@H](C)N(C)C)cc1 ZINC000078665900 490057966 /nfs/dbraw/zinc/05/79/66/490057966.db2.gz BVGABNIRJILUEJ-OLZOCXBDSA-N 0 1 248.370 2.465 20 0 BEADMN CCc1cccc(C)c1NC(=O)[C@H](C)N(C)C ZINC000078692235 490057706 /nfs/dbraw/zinc/05/77/06/490057706.db2.gz JYOPMJNLTGRKSS-NSHDSACASA-N 0 1 234.343 2.446 20 0 BEADMN CCc1ccccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000086751508 490090209 /nfs/dbraw/zinc/09/02/09/490090209.db2.gz ATSUJUZBVSPTMH-UHFFFAOYSA-N 0 1 233.311 2.298 20 0 BEADMN CCc1noc(C)c1CN1CC=CCC1 ZINC000679322159 490112683 /nfs/dbraw/zinc/11/26/83/490112683.db2.gz CVJCTTRVLPRMHJ-UHFFFAOYSA-N 0 1 206.289 2.307 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)CCc1cnc[nH]1 ZINC000457293239 490117328 /nfs/dbraw/zinc/11/73/28/490117328.db2.gz PVNMDLRMNYAHJL-BXUZGUMPSA-N 0 1 249.358 2.427 20 0 BEADMN CC(C)c1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000146061561 490125629 /nfs/dbraw/zinc/12/56/29/490125629.db2.gz XYWPBZYMCVDRQS-CQSZACIVSA-N 0 1 246.354 2.260 20 0 BEADMN O=C1Nc2ccccc2CC[C@@H]1N1CC=CCC1 ZINC000683022337 490154648 /nfs/dbraw/zinc/15/46/48/490154648.db2.gz TXNFQAGAURYBFK-AWEZNQCLSA-N 0 1 242.322 2.202 20 0 BEADMN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000078712156 490220384 /nfs/dbraw/zinc/22/03/84/490220384.db2.gz XJHDESOACQRCMQ-JSGCOSHPSA-N 0 1 248.370 2.074 20 0 BEADMN C[C@@H](CN(C)C(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078710876 490220781 /nfs/dbraw/zinc/22/07/81/490220781.db2.gz KHELFRXHELQUEP-STQMWFEESA-N 0 1 248.370 2.199 20 0 BEADMN C[C@H](Cc1ccccn1)NCc1nccs1 ZINC000655844679 490260531 /nfs/dbraw/zinc/26/05/31/490260531.db2.gz UPKKOTAVCQVKPT-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN COc1nccnc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000294595990 490313613 /nfs/dbraw/zinc/31/36/13/490313613.db2.gz SVPLNQNKWSOTND-NWDGAFQWSA-N 0 1 249.358 2.496 20 0 BEADMN C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCC1 ZINC000131066764 490481088 /nfs/dbraw/zinc/48/10/88/490481088.db2.gz YFVAPPNSLHFBAX-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@]1(C2CC2)CN(CCc2ccncc2)CCO1 ZINC000661167184 490496532 /nfs/dbraw/zinc/49/65/32/490496532.db2.gz NOJQUIUXDJIDLU-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)N[C@H](CO)c1ccccc1 ZINC000305829116 490622441 /nfs/dbraw/zinc/62/24/41/490622441.db2.gz NNJWTZFDVYHCQU-QMTHXVAHSA-N 0 1 245.326 2.102 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC000131455967 490640788 /nfs/dbraw/zinc/64/07/88/490640788.db2.gz UUVAHDGJBPODNE-MNOVXSKESA-N 0 1 249.358 2.480 20 0 BEADMN c1ccc2c(c1)CCC[N@H+](Cc1cncnc1)C2 ZINC000131741779 490655227 /nfs/dbraw/zinc/65/52/27/490655227.db2.gz KBUZCUTXWLSNEO-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN c1ccc2c(c1)CCCN(Cc1cncnc1)C2 ZINC000131741779 490655232 /nfs/dbraw/zinc/65/52/32/490655232.db2.gz KBUZCUTXWLSNEO-UHFFFAOYSA-N 0 1 239.322 2.425 20 0 BEADMN CN(CCOc1ccc(F)cc1)Cc1cn[nH]c1 ZINC000085824905 491053539 /nfs/dbraw/zinc/05/35/39/491053539.db2.gz FTGRHZCSRAAYNY-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCCOC(C)C ZINC000086110518 491057819 /nfs/dbraw/zinc/05/78/19/491057819.db2.gz AMZCHTKPUNKIGG-VIFPVBQESA-N 0 1 226.320 2.367 20 0 BEADMN CCc1noc(CN2CCCC[C@@H](C)C2)n1 ZINC000681465354 491062415 /nfs/dbraw/zinc/06/24/15/491062415.db2.gz QKGQJQYXZDGISF-SNVBAGLBSA-N 0 1 223.320 2.254 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757466 491064373 /nfs/dbraw/zinc/06/43/73/491064373.db2.gz NDQRDKDUUVTXHI-NWDGAFQWSA-N 0 1 248.326 2.329 20 0 BEADMN CCC[C@@H](C)NC(=O)c1ccc(F)cc1O ZINC000228305921 491093093 /nfs/dbraw/zinc/09/30/93/491093093.db2.gz UQGYJYAFBGREIP-MRVPVSSYSA-N 0 1 225.263 2.450 20 0 BEADMN CCN(C)C(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000340189351 491112422 /nfs/dbraw/zinc/11/24/22/491112422.db2.gz ZBTOKOLSZYJHAF-UHFFFAOYSA-N 0 1 238.375 2.143 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccc(O)cc2)cn1 ZINC000130280230 491127693 /nfs/dbraw/zinc/12/76/93/491127693.db2.gz BRHTUQROLILBAH-LLVKDONJSA-N 0 1 245.326 2.459 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000668591671 491128286 /nfs/dbraw/zinc/12/82/86/491128286.db2.gz FRTAYAXFAMIGCV-NSHDSACASA-N 0 1 225.311 2.290 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@@H](CCF)C1 ZINC000668591671 491128287 /nfs/dbraw/zinc/12/82/87/491128287.db2.gz FRTAYAXFAMIGCV-NSHDSACASA-N 0 1 225.311 2.290 20 0 BEADMN Cc1n[nH]cc1CN[C@@H]1CCCc2cccnc21 ZINC000091661199 491131243 /nfs/dbraw/zinc/13/12/43/491131243.db2.gz YMUZFXDZENBELQ-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1ccoc1C ZINC000309777029 491156242 /nfs/dbraw/zinc/15/62/42/491156242.db2.gz LXDOVLMJWDDDDX-QMMMGPOBSA-N 0 1 219.288 2.470 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000309784826 491156497 /nfs/dbraw/zinc/15/64/97/491156497.db2.gz SGJPUKOHBYMERM-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000309973870 491159131 /nfs/dbraw/zinc/15/91/31/491159131.db2.gz RFGBNGHTJOYFMH-RKDXNWHRSA-N 0 1 240.372 2.145 20 0 BEADMN Cc1nc([C@H](C)NCC2(CO)CC2)c(C)s1 ZINC000133837747 491160797 /nfs/dbraw/zinc/16/07/97/491160797.db2.gz QZKFYOMKOOQOHI-QMMMGPOBSA-N 0 1 240.372 2.183 20 0 BEADMN Cc1nc([C@@H](C)NCC(C)(C)O)c(C)s1 ZINC000083461267 491161815 /nfs/dbraw/zinc/16/18/15/491161815.db2.gz AOLZNIFZTPZLGM-SSDOTTSWSA-N 0 1 228.361 2.181 20 0 BEADMN COC(=O)[C@@H]1CCC[C@H](NCC(C)(F)F)CC1 ZINC001172767373 974935542 /nfs/dbraw/zinc/93/55/42/974935542.db2.gz ZMBTXCWLFNZWJR-ZJUUUORDSA-N 0 1 249.301 2.353 20 0 BEADMN COC(=O)[C@H]1CCC[C@@H](NCC(C)(F)F)CC1 ZINC001172767371 974937274 /nfs/dbraw/zinc/93/72/74/974937274.db2.gz ZMBTXCWLFNZWJR-VHSXEESVSA-N 0 1 249.301 2.353 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000488324488 533722079 /nfs/dbraw/zinc/72/20/79/533722079.db2.gz ATYDWWNCDYFBGF-UXIGCNINSA-N 0 1 247.338 2.422 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263073881 535513781 /nfs/dbraw/zinc/51/37/81/535513781.db2.gz QCWRRGUIYCPPOT-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H]1C)c1csnn1 ZINC000306619659 533987704 /nfs/dbraw/zinc/98/77/04/533987704.db2.gz TZPDTRUGBMPCFN-HRDYMLBCSA-N 0 1 211.334 2.377 20 0 BEADMN CCC[C@H](C)CN1CC[S@](=O)[C@H](C)[C@H]1C ZINC000342936465 535612341 /nfs/dbraw/zinc/61/23/41/535612341.db2.gz VJVPCQLQPYTKHQ-YFCNSXCBSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@H](N[C@H]1CCOC[C@H]1C)C(C)(F)F ZINC000307548414 534006297 /nfs/dbraw/zinc/00/62/97/534006297.db2.gz OBJYNYRFYIKZTA-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCOC(C)(C)C ZINC000488236033 534020686 /nfs/dbraw/zinc/02/06/86/534020686.db2.gz UYSQXFXRKLEBHA-NSHDSACASA-N 0 1 229.364 2.301 20 0 BEADMN CCCN(CC)Cc1nccn1C1CC1 ZINC000891401002 582677836 /nfs/dbraw/zinc/67/78/36/582677836.db2.gz YKQFAWLEQDGLSO-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN CC[C@H](NC[C@H](O)C(F)F)c1ccccc1F ZINC000226608607 535909333 /nfs/dbraw/zinc/90/93/33/535909333.db2.gz PZFIKWKMSFUCHB-QWRGUYRKSA-N 0 1 247.260 2.492 20 0 BEADMN CCCc1nc(C)c(CN[C@@H]2CCO[C@H]2C)o1 ZINC000492314371 517619428 /nfs/dbraw/zinc/61/94/28/517619428.db2.gz SGJHATUDHRQYQX-WDEREUQCSA-N 0 1 238.331 2.203 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)n1 ZINC000248754176 518187680 /nfs/dbraw/zinc/18/76/80/518187680.db2.gz PECDCQMLVSTTID-SRVKXCTJSA-N 0 1 247.342 2.284 20 0 BEADMN COc1ccc(CN2CCCOC(C)(C)C2)o1 ZINC000892076255 582786645 /nfs/dbraw/zinc/78/66/45/582786645.db2.gz VGSVMATUBHJIJE-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN CCCCC1(NC(=O)c2[nH]nc(C)c2C)CC1 ZINC000889530894 582822905 /nfs/dbraw/zinc/82/29/05/582822905.db2.gz DMWJARINRNCWBD-UHFFFAOYSA-N 0 1 235.331 2.479 20 0 BEADMN O=C(NC[C@@H]1CC=CCC1)[C@@H]1CCCN1C1CC1 ZINC000495019328 534552038 /nfs/dbraw/zinc/55/20/38/534552038.db2.gz QDHZILYWTDNQTA-OCCSQVGLSA-N 0 1 248.370 2.086 20 0 BEADMN CC(=O)c1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1 ZINC000336198266 534844121 /nfs/dbraw/zinc/84/41/21/534844121.db2.gz CLVBGHCTIHLORW-XHDPSFHLSA-N 0 1 247.338 2.092 20 0 BEADMN C/C=C/C=C\C(=O)N1CCN(CC)C[C@H]1CC ZINC000493463023 527595000 /nfs/dbraw/zinc/59/50/00/527595000.db2.gz VLODSBYYWXIMKE-NDDLXJSUSA-N 0 1 236.359 2.061 20 0 BEADMN CCCN(CC(=O)OCC)C[C@H]1CCSC1 ZINC000495165548 527909340 /nfs/dbraw/zinc/90/93/40/527909340.db2.gz RRGOAXNNECWEHP-LLVKDONJSA-N 0 1 245.388 2.015 20 0 BEADMN CC(C)CN(CN1CC(C)(C)OC1=O)C1CC1 ZINC000494002176 527943426 /nfs/dbraw/zinc/94/34/26/527943426.db2.gz NUBPSEZZMXZFHH-UHFFFAOYSA-N 0 1 240.347 2.295 20 0 BEADMN CCCN(CC)CN1CC2(CCCC2)OC1=O ZINC000494454137 527982755 /nfs/dbraw/zinc/98/27/55/527982755.db2.gz OYGXDTMHKVCULT-UHFFFAOYSA-N 0 1 240.347 2.441 20 0 BEADMN CC1=CCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000496909019 528104007 /nfs/dbraw/zinc/10/40/07/528104007.db2.gz GWIFHGYOFSHBTK-UHFFFAOYSA-N 0 1 240.347 2.163 20 0 BEADMN CCCN1CCN(CCC2CC2)C(C)(C)C1=O ZINC000495206133 528245210 /nfs/dbraw/zinc/24/52/10/528245210.db2.gz VJGOCXHMRGDSKS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCN1CCN(Cc2ccc(Cl)o2)CC1 ZINC000505253510 528246963 /nfs/dbraw/zinc/24/69/63/528246963.db2.gz FSVGCULWNSBSAY-UHFFFAOYSA-N 0 1 242.750 2.461 20 0 BEADMN CCOC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000493403827 528538349 /nfs/dbraw/zinc/53/83/49/528538349.db2.gz QYTVVZZNZSTSMB-PLNGDYQASA-N 0 1 245.229 2.144 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1[C@H]1C=CCCC1 ZINC000495232326 529192874 /nfs/dbraw/zinc/19/28/74/529192874.db2.gz RJMIPBJTXTWSOJ-STQMWFEESA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@@H](C(N)=O)N(C)C/C(C)=C/c1ccccc1 ZINC000494293080 529297938 /nfs/dbraw/zinc/29/79/38/529297938.db2.gz LZDGUQNICCSUQJ-WONIAPNHSA-N 0 1 246.354 2.286 20 0 BEADMN CC1(C)C[S@@](=O)CCN1CC1CCCCC1 ZINC000335938113 534941061 /nfs/dbraw/zinc/94/10/61/534941061.db2.gz SLVSUGOEADNDRI-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN CCCC[C@H](CCC)NC(=O)CN(C)C ZINC000175000276 535022280 /nfs/dbraw/zinc/02/22/80/535022280.db2.gz JVMFRIBKQGUECN-NSHDSACASA-N 0 1 214.353 2.023 20 0 BEADMN CC(C)N1C(=O)CN(CC[C@H](C)F)CC1(C)C ZINC000352001935 535127483 /nfs/dbraw/zinc/12/74/83/535127483.db2.gz DLROSNFFAFYVKQ-NSHDSACASA-N 0 1 244.354 2.066 20 0 BEADMN CC(C)CN1CCO[C@H](c2ccco2)C1 ZINC000177679643 535127663 /nfs/dbraw/zinc/12/76/63/535127663.db2.gz KYEKAKHHNBONAU-LBPRGKRZSA-N 0 1 209.289 2.309 20 0 BEADMN CC/C=C/CCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248633132 535232714 /nfs/dbraw/zinc/23/27/14/535232714.db2.gz SYYVUVQFYVMXMM-JKWAOEONSA-N 0 1 239.359 2.223 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc[nH]n1 ZINC000185197701 535294892 /nfs/dbraw/zinc/29/48/92/535294892.db2.gz DMLCWVVDWDAWLE-OLZOCXBDSA-N 0 1 237.347 2.093 20 0 BEADMN CCOCCN(CC)Cc1conc1CC ZINC000350747941 535585156 /nfs/dbraw/zinc/58/51/56/535585156.db2.gz OOVMKHZJISOYPB-UHFFFAOYSA-N 0 1 226.320 2.095 20 0 BEADMN CCC[C@H]1CN(CC[C@H](C)F)CCO1 ZINC000351761870 535739273 /nfs/dbraw/zinc/73/92/73/535739273.db2.gz XXNIJIXHNRMAEF-QWRGUYRKSA-N 0 1 203.301 2.235 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1Cc1cccn1C ZINC000334226665 535843578 /nfs/dbraw/zinc/84/35/78/535843578.db2.gz FSXOQHLRCBCWSK-NWDGAFQWSA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@]1(C)COCCN1Cc1ccn(C)c1 ZINC000335372806 535924578 /nfs/dbraw/zinc/92/45/78/535924578.db2.gz SDGTYHNYBGBZGK-CYBMUJFWSA-N 0 1 222.332 2.026 20 0 BEADMN CC[C@@](C)(O)CNCc1ncc(Cl)s1 ZINC000225342141 536011357 /nfs/dbraw/zinc/01/13/57/536011357.db2.gz QBBXGYUVSUPWHL-SECBINFHSA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1ccc2cncn2c1 ZINC000335980483 536144229 /nfs/dbraw/zinc/14/42/29/536144229.db2.gz QITSCKRGHLSNOW-JTQLQIEISA-N 0 1 231.299 2.205 20 0 BEADMN CN(CC(N)=O)c1ccnc2ccccc21 ZINC000335696457 536166310 /nfs/dbraw/zinc/16/63/10/536166310.db2.gz KTFVGANKJDOMMQ-UHFFFAOYSA-N 0 1 215.256 2.206 20 0 BEADMN CN(Cc1cnns1)C(C1CC1)C1CC1 ZINC000347756252 536485717 /nfs/dbraw/zinc/48/57/17/536485717.db2.gz ZOKUASNRIWVIBW-UHFFFAOYSA-N 0 1 223.345 2.159 20 0 BEADMN COCc1ccc(CN[C@@H]2C[C@H]2C(F)F)o1 ZINC000348209542 536780144 /nfs/dbraw/zinc/78/01/44/536780144.db2.gz KCRXABXZLVGTCP-NXEZZACHSA-N 0 1 231.242 2.169 20 0 BEADMN COc1cccc(CN2[C@@H](C)C[C@@H]2C)n1 ZINC000335679697 537107591 /nfs/dbraw/zinc/10/75/91/537107591.db2.gz UDGPTCHPAHCKAK-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN CSCC(C)(C)c1nc([C@H]2CCCN2)no1 ZINC000592356401 566349244 /nfs/dbraw/zinc/34/92/44/566349244.db2.gz VMUSWLNXQPGWJO-MRVPVSSYSA-N 0 1 241.360 2.135 20 0 BEADMN C[C@H]1CCCCCN1C(=O)CCc1cnc[nH]1 ZINC000334379469 566394672 /nfs/dbraw/zinc/39/46/72/566394672.db2.gz YOVKQDBNERAEEH-NSHDSACASA-N 0 1 235.331 2.133 20 0 BEADMN CCOc1ccc(CNC(C)(C)COC)o1 ZINC000892854297 582996682 /nfs/dbraw/zinc/99/66/82/582996682.db2.gz BGZPLHRVQXDZNN-UHFFFAOYSA-N 0 1 227.304 2.193 20 0 BEADMN Cc1[nH]nc(CN2CCOC(C)(C)[C@@H]2C)c1C ZINC000894035117 583279946 /nfs/dbraw/zinc/27/99/46/583279946.db2.gz DPEHDUKRHGOFES-NSHDSACASA-N 0 1 237.347 2.026 20 0 BEADMN COc1nccc(CNC2CC(F)(F)C2)c1F ZINC000894036297 583279301 /nfs/dbraw/zinc/27/93/01/583279301.db2.gz DSELIYAQZUMSQO-UHFFFAOYSA-N 0 1 246.232 2.117 20 0 BEADMN Cc1cc(C)cc(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853214888 588725369 /nfs/dbraw/zinc/72/53/69/588725369.db2.gz OKFJBTHQMJWTST-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN Cc1cc(C)cc(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853214633 588725400 /nfs/dbraw/zinc/72/54/00/588725400.db2.gz OKFJBTHQMJWTST-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1 ZINC000853215245 588725439 /nfs/dbraw/zinc/72/54/39/588725439.db2.gz PUYJMEILXBZJBL-SECBINFHSA-N 0 1 231.255 2.031 20 0 BEADMN Cc1ccc(C)c(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853213117 588725486 /nfs/dbraw/zinc/72/54/86/588725486.db2.gz HKLHWQRUVCTANM-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN C[C@@H](OC(=O)C1CCCCCC1)c1nnc[nH]1 ZINC000853218472 588725645 /nfs/dbraw/zinc/72/56/45/588725645.db2.gz MJWGSVBMIRGDDV-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN CCc1ccccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853218635 588725735 /nfs/dbraw/zinc/72/57/35/588725735.db2.gz BPNXYTVCRKNWTA-SECBINFHSA-N 0 1 245.282 2.285 20 0 BEADMN C[C@H](OC(=O)/C=C1\CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219251 588725749 /nfs/dbraw/zinc/72/57/49/588725749.db2.gz DRNDBRYUCGKWFN-FABCMWHDSA-N 0 1 235.287 2.155 20 0 BEADMN CC[C@@H](CC(=O)O[C@H](C)c1nnc[nH]1)C(C)C ZINC000853219060 588725872 /nfs/dbraw/zinc/72/58/72/588725872.db2.gz FSRZZBABRKRETC-ZJUUUORDSA-N 0 1 239.319 2.481 20 0 BEADMN Cc1cc(F)ccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853221520 588726035 /nfs/dbraw/zinc/72/60/35/588726035.db2.gz VEQGUCMXPOFGMT-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)CCC(C)(C)C)c1nnc[nH]1 ZINC000853221468 588726071 /nfs/dbraw/zinc/72/60/71/588726071.db2.gz WWOZDKYXNKJZLZ-MRVPVSSYSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@H](OC(=O)/C=C\C(C)(C)C)c1nnc[nH]1 ZINC000853221259 588726254 /nfs/dbraw/zinc/72/62/54/588726254.db2.gz VAHNJEQAYJFRCI-SLGIHZDVSA-N 0 1 223.276 2.011 20 0 BEADMN Cc1cc(F)ccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853221521 588726279 /nfs/dbraw/zinc/72/62/79/588726279.db2.gz VEQGUCMXPOFGMT-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)/C=C/C(C)(C)C)c1nnc[nH]1 ZINC000853221257 588726355 /nfs/dbraw/zinc/72/63/55/588726355.db2.gz VAHNJEQAYJFRCI-HQZHTGGTSA-N 0 1 223.276 2.011 20 0 BEADMN CC(C)n1cccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853223494 588726802 /nfs/dbraw/zinc/72/68/02/588726802.db2.gz ZPDARYGHBNBCAJ-SECBINFHSA-N 0 1 248.286 2.105 20 0 BEADMN C[C@H](OC(=O)[C@@H](C)c1ccccc1)c1nnc[nH]1 ZINC000853223956 588726847 /nfs/dbraw/zinc/72/68/47/588726847.db2.gz BPZLWHPWMUURHQ-UWVGGRQHSA-N 0 1 245.282 2.213 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCCC1(C)C)c1nnc[nH]1 ZINC000853223845 588726919 /nfs/dbraw/zinc/72/69/19/588726919.db2.gz AOHMGTZNTFWYGK-DTWKUNHWSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)c1[nH]ccc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224284 588726975 /nfs/dbraw/zinc/72/69/75/588726975.db2.gz DXFVAAQILXLDQS-MRVPVSSYSA-N 0 1 248.286 2.174 20 0 BEADMN C[C@H](OC(=O)C1(C2CCC2)CCC1)c1nnc[nH]1 ZINC000853224050 588727005 /nfs/dbraw/zinc/72/70/05/588727005.db2.gz BHAQOPZFJCHCSW-VIFPVBQESA-N 0 1 249.314 2.379 20 0 BEADMN C[C@@H](OC(=O)[C@H](C)c1ccccc1)c1nnc[nH]1 ZINC000853223954 588727015 /nfs/dbraw/zinc/72/70/15/588727015.db2.gz BPZLWHPWMUURHQ-NXEZZACHSA-N 0 1 245.282 2.213 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225298 588727144 /nfs/dbraw/zinc/72/71/44/588727144.db2.gz NBQFWVVXEHMFKX-XZLDQRQTSA-N 0 1 237.303 2.401 20 0 BEADMN C[C@H](OC(=O)C[C@@H]1C=CCCC1)c1nnc[nH]1 ZINC000853226156 588727211 /nfs/dbraw/zinc/72/72/11/588727211.db2.gz UONBEOHHDZRWTN-VHSXEESVSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@H](OC(=O)C1=CC[C@@H](C)CC1)c1nnc[nH]1 ZINC000853225233 588727453 /nfs/dbraw/zinc/72/74/53/588727453.db2.gz MXSMGVQCSGZCMF-BDAKNGLRSA-N 0 1 235.287 2.155 20 0 BEADMN CC(=Cc1ccco1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227485 588727606 /nfs/dbraw/zinc/72/76/06/588727606.db2.gz PWSAKSLKDKQHSA-XZLDQRQTSA-N 0 1 247.254 2.105 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@H]1C1CCCC1)c1nnc[nH]1 ZINC000853227413 588727762 /nfs/dbraw/zinc/72/77/62/588727762.db2.gz PWNBQYFDMGKBGM-INTQDDNPSA-N 0 1 249.314 2.235 20 0 BEADMN CCCCN(C)CN1CC[C@H](C(C)C)C1=O ZINC000853490217 588745620 /nfs/dbraw/zinc/74/56/20/588745620.db2.gz QGUIPQIEZKICDR-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN CC(C)[C@@H]1CCN(CN(C)CCC2CC2)C1=O ZINC000853503401 588746505 /nfs/dbraw/zinc/74/65/05/588746505.db2.gz SCYFMOZLISCEEJ-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1CC(C)(C)OC1=O ZINC000853628018 588750723 /nfs/dbraw/zinc/75/07/23/588750723.db2.gz LNFSEKGGXYOUCH-JTQLQIEISA-N 0 1 240.347 2.153 20 0 BEADMN CN(C[C@H]1CC1(C)C)CN1CCC(C)(C)C1=O ZINC000853627356 588750844 /nfs/dbraw/zinc/75/08/44/588750844.db2.gz AQNDDKQUEUKYMI-LLVKDONJSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H]1CN(CN(C)C[C@H]2CC2(C)C)C(=O)[C@H]1C ZINC000853628706 588751233 /nfs/dbraw/zinc/75/12/33/588751233.db2.gz WPHGSRVHVGDTEE-GRYCIOLGSA-N 0 1 238.375 2.036 20 0 BEADMN CC(C)C(N)=NOCCC1SCCS1 ZINC000853685433 588755750 /nfs/dbraw/zinc/75/57/50/588755750.db2.gz VYIZFIXAQYZCGV-UHFFFAOYSA-N 0 1 234.390 2.337 20 0 BEADMN CC(C)C(N)=NOCCCCC1(C)OCCO1 ZINC000853684608 588755805 /nfs/dbraw/zinc/75/58/05/588755805.db2.gz FLEMHYLJEMITMC-UHFFFAOYSA-N 0 1 244.335 2.074 20 0 BEADMN Cc1ccnc(-c2noc([C@@H]3CCCCN3)n2)c1 ZINC000111679387 588766428 /nfs/dbraw/zinc/76/64/28/588766428.db2.gz GWAQRLDOEBGPBS-JTQLQIEISA-N 0 1 244.298 2.255 20 0 BEADMN CO[C@@H]1CC[C@@H](c2nc([C@@H](N)C(C)C)no2)C1 ZINC000854132488 588776132 /nfs/dbraw/zinc/77/61/32/588776132.db2.gz AHYSPADEKBILQL-BBBLOLIVSA-N 0 1 239.319 2.008 20 0 BEADMN CCC(F)(F)C(=O)N[C@H](C)C(F)(F)F ZINC000854481884 588789436 /nfs/dbraw/zinc/78/94/36/588789436.db2.gz RCDABWISDUYFHA-SCSAIBSYSA-N 0 1 219.153 2.099 20 0 BEADMN O=C(NOc1ccccc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000854535770 588791090 /nfs/dbraw/zinc/79/10/90/588791090.db2.gz KERKDCGCWJCXSZ-RKDXNWHRSA-N 0 1 245.200 2.295 20 0 BEADMN CCCCCCN1CCNC(=O)[C@@H]1C(C)C ZINC000112679570 588811874 /nfs/dbraw/zinc/81/18/74/588811874.db2.gz CZNMHQWTMKPNAP-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H]2CCCC[C@@H]21 ZINC000855062224 588821917 /nfs/dbraw/zinc/82/19/17/588821917.db2.gz CKPPJQQCRQCARD-GWCFXTLKSA-N 0 1 245.326 2.302 20 0 BEADMN CCC/C(C)=C/C(=O)N(C)Cc1cnc[nH]1 ZINC000855134417 588822739 /nfs/dbraw/zinc/82/27/39/588822739.db2.gz NSRDYYTZLORZPF-UXBLZVDNSA-N 0 1 221.304 2.115 20 0 BEADMN Cc1ccc([C@H](C)C(=O)N(C)Cc2cnc[nH]2)o1 ZINC000855134398 588822884 /nfs/dbraw/zinc/82/28/84/588822884.db2.gz MWTYITICOWKJQE-JTQLQIEISA-N 0 1 247.298 2.073 20 0 BEADMN CC/C(C)=C(/C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855136711 588823097 /nfs/dbraw/zinc/82/30/97/588823097.db2.gz RKJYCELVWJFUNH-KTKRTIGZSA-N 0 1 221.304 2.115 20 0 BEADMN CC/C=C(/C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855167186 588824641 /nfs/dbraw/zinc/82/46/41/588824641.db2.gz XELLSFQWJUAZPU-SEVUFMINSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000859092672 582481737 /nfs/dbraw/zinc/48/17/37/582481737.db2.gz SCNVNGSGCUMILS-NEPJUHHUSA-N 0 1 242.363 2.194 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1[nH]nc2c1CCCCC2 ZINC000855430945 588835034 /nfs/dbraw/zinc/83/50/34/588835034.db2.gz OHTVHONXVBVWLK-SNVBAGLBSA-N 0 1 245.326 2.127 20 0 BEADMN Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000113396487 588838154 /nfs/dbraw/zinc/83/81/54/588838154.db2.gz CTCZHCLDANRSIO-TZMCWYRMSA-N 0 1 247.338 2.456 20 0 BEADMN CC[C@@H](C)CONC([O-])=[NH+]c1ccns1 ZINC000889103884 582612740 /nfs/dbraw/zinc/61/27/40/582612740.db2.gz VCXDBFLHNSADKE-SSDOTTSWSA-N 0 1 229.305 2.242 20 0 BEADMN C[C@]1(CCNCc2csnn2)C[C@@]1(F)Cl ZINC000846037908 582643006 /nfs/dbraw/zinc/64/30/06/582643006.db2.gz NAFPBAUDVWQYNW-IUCAKERBSA-N 0 1 249.742 2.332 20 0 BEADMN CN1CCN(c2cc3c(F)cccc3cn2)CC1 ZINC000891390275 582676228 /nfs/dbraw/zinc/67/62/28/582676228.db2.gz KGOZTDNSCKTFKN-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN Cc1cc(N)nc(N(C)Cc2ccsc2)n1 ZINC000891577314 582697992 /nfs/dbraw/zinc/69/79/92/582697992.db2.gz BNCIGGYJZCTLFV-UHFFFAOYSA-N 0 1 234.328 2.065 20 0 BEADMN C[C@@H]1Cc2cc(CN3CCCOCC3)ccc2O1 ZINC000891720090 582713904 /nfs/dbraw/zinc/71/39/04/582713904.db2.gz KLEKNMOIAMFVFV-GFCCVEGCSA-N 0 1 247.338 2.232 20 0 BEADMN CN(Cc1nccc2c1CCCC2)[C@@H]1CCOC1 ZINC000891936303 582741005 /nfs/dbraw/zinc/74/10/05/582741005.db2.gz VVXLJOKBSNAHIM-CYBMUJFWSA-N 0 1 246.354 2.181 20 0 BEADMN C[C@H]1CN(Cc2nccn2C2CC2)C[C@H]1C ZINC000892068777 582784299 /nfs/dbraw/zinc/78/42/99/582784299.db2.gz SFXSBARPQCLNOK-PHIMTYICSA-N 0 1 219.332 2.306 20 0 BEADMN COc1nccc(CN2C[C@@H](C)C[C@H]2C)c1F ZINC000892103612 582791204 /nfs/dbraw/zinc/79/12/04/582791204.db2.gz KTHIJHABJPEBFD-VHSXEESVSA-N 0 1 238.306 2.460 20 0 BEADMN CCOC[C@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000892181195 582805851 /nfs/dbraw/zinc/80/58/51/582805851.db2.gz VGKSDQMYVHLFRG-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1ccc2oc(=O)n(CN3CC[C@H](C)C3)c2c1 ZINC000725778378 582848197 /nfs/dbraw/zinc/84/81/97/582848197.db2.gz MDYFJQCFBKGLRD-NSHDSACASA-N 0 1 246.310 2.202 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000725776839 582848849 /nfs/dbraw/zinc/84/88/49/582848849.db2.gz BLCFFWWIGSTASL-OCCSQVGLSA-N 0 1 244.338 2.259 20 0 BEADMN c1coc(CCNCc2nnc(C3CC3)s2)c1 ZINC000892441953 582888591 /nfs/dbraw/zinc/88/85/91/582888591.db2.gz VCJJAZUYJCSUET-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CCOCCCNCc1nnc(C(C)C)s1 ZINC000892478870 582895409 /nfs/dbraw/zinc/89/54/09/582895409.db2.gz RHVFAIDKEBPWJI-UHFFFAOYSA-N 0 1 243.376 2.178 20 0 BEADMN Cn1ccnc1[C@H](N[C@@H]1C=CCC1)C1CC1 ZINC000850509358 582922790 /nfs/dbraw/zinc/92/27/90/582922790.db2.gz NEMZMLIAXLNGAB-VXGBXAGGSA-N 0 1 217.316 2.179 20 0 BEADMN Cc1cc(N)nc(N2CCC(C(C)C)CC2)n1 ZINC000892688214 582955999 /nfs/dbraw/zinc/95/59/99/582955999.db2.gz SOAUXGCRHFGOJK-UHFFFAOYSA-N 0 1 234.347 2.240 20 0 BEADMN CC(C)[C@H](C(=O)OCC[C@@H]1CC1(F)F)N(C)C ZINC000851384171 582958159 /nfs/dbraw/zinc/95/81/59/582958159.db2.gz DFMORAGTLYMGKG-NXEZZACHSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000840892283 582969112 /nfs/dbraw/zinc/96/91/12/582969112.db2.gz XJUBXAQJNUALCG-CBAPKCEASA-N 0 1 223.345 2.304 20 0 BEADMN COc1ccc(CNCCOCCC(C)C)o1 ZINC000892732764 582972697 /nfs/dbraw/zinc/97/26/97/582972697.db2.gz KZDBOXFOSJSBDA-UHFFFAOYSA-N 0 1 241.331 2.441 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)OC3CCC3)c2C1 ZINC000892767947 582978477 /nfs/dbraw/zinc/97/84/77/582978477.db2.gz GERZAQUKSFBVFB-MRVPVSSYSA-N 0 1 234.299 2.244 20 0 BEADMN CC(=O)OC[C@@H](C)NCc1cc(F)ccc1F ZINC000892920544 583009637 /nfs/dbraw/zinc/00/96/37/583009637.db2.gz WAMPTMCEBHPRKB-MRVPVSSYSA-N 0 1 243.253 2.006 20 0 BEADMN Cc1cc(F)ncc1CN[C@H](C)c1cnn(C)c1 ZINC000893032564 583034840 /nfs/dbraw/zinc/03/48/40/583034840.db2.gz QWMPZUSBZRVEKN-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000840583351 583037652 /nfs/dbraw/zinc/03/76/52/583037652.db2.gz XYZHDPNQEHFNRM-DTWKUNHWSA-N 0 1 249.314 2.464 20 0 BEADMN O=C(NOCC1CCC1)[C@@H]1Cc2ccc(F)cc21 ZINC000856351043 588869815 /nfs/dbraw/zinc/86/98/15/588869815.db2.gz ANCUKSQZLOFMBW-CYBMUJFWSA-N 0 1 249.285 2.313 20 0 BEADMN CCn1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)nn1 ZINC000893356607 583121264 /nfs/dbraw/zinc/12/12/64/583121264.db2.gz NELUUTJSXKVUGO-ZIAGYGMSSA-N 0 1 248.374 2.356 20 0 BEADMN CC/C=C\CNCc1cn(C)nc1Cl ZINC000856789770 588877832 /nfs/dbraw/zinc/87/78/32/588877832.db2.gz KTANVNQWUSGGAR-PLNGDYQASA-N 0 1 213.712 2.129 20 0 BEADMN CC1(NCc2nnc(C3CC3)s2)CCC1 ZINC000893384283 583133640 /nfs/dbraw/zinc/13/36/40/583133640.db2.gz NGHNCXFBAGLRIG-UHFFFAOYSA-N 0 1 223.345 2.448 20 0 BEADMN Cc1cc(F)ncc1CN1CCCSCC1 ZINC000893421368 583140950 /nfs/dbraw/zinc/14/09/50/583140950.db2.gz SNCHGIVAKZZABS-UHFFFAOYSA-N 0 1 240.347 2.468 20 0 BEADMN CCOCCN(C)Cc1nccc2c1CCCC2 ZINC000893426472 583141563 /nfs/dbraw/zinc/14/15/63/583141563.db2.gz DSTUATSUBHPVDI-UHFFFAOYSA-N 0 1 248.370 2.429 20 0 BEADMN CCCSC[C@H](C)NCc1ccno1 ZINC000893550206 583162893 /nfs/dbraw/zinc/16/28/93/583162893.db2.gz CSLSRMCCIGKRQP-VIFPVBQESA-N 0 1 214.334 2.296 20 0 BEADMN CCOC[C@H](C)NCc1ccc(OCC)o1 ZINC000893712212 583210471 /nfs/dbraw/zinc/21/04/71/583210471.db2.gz SHHAOOFAMMCUEH-JTQLQIEISA-N 0 1 227.304 2.193 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC000893871030 583236021 /nfs/dbraw/zinc/23/60/21/583236021.db2.gz CJVNHGITCQJNTI-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)N(C)Cc1c2c(nn1C)CCSC2 ZINC000893871424 583237587 /nfs/dbraw/zinc/23/75/87/583237587.db2.gz JTFOKGWWKKLKBE-UHFFFAOYSA-N 0 1 239.388 2.050 20 0 BEADMN CC[C@H]1CN(Cc2n[nH]c(C)c2C)C[C@@H](C)O1 ZINC000893976053 583265174 /nfs/dbraw/zinc/26/51/74/583265174.db2.gz LYJGHEBDMDGVSL-SKDRFNHKSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1coc(CN2CCCO[C@H](C)C2)c1 ZINC000893995967 583267829 /nfs/dbraw/zinc/26/78/29/583267829.db2.gz RDUWDLVOOPWNAB-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C)[C@@H]2CC)nn1 ZINC000877413016 583312957 /nfs/dbraw/zinc/31/29/57/583312957.db2.gz CJSCBQQIOVYFKU-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN COC(=O)c1cnc(CNCCC(C)C)s1 ZINC000894146846 583318186 /nfs/dbraw/zinc/31/81/86/583318186.db2.gz ZJRMWEHIRSYEPX-UHFFFAOYSA-N 0 1 242.344 2.065 20 0 BEADMN C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH]cn1 ZINC000894178095 583328333 /nfs/dbraw/zinc/32/83/33/583328333.db2.gz CMISXHJQCDACKH-YPMHNXCESA-N 0 1 237.347 2.095 20 0 BEADMN C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH]cn1 ZINC000894178093 583328345 /nfs/dbraw/zinc/32/83/45/583328345.db2.gz CMISXHJQCDACKH-WCQYABFASA-N 0 1 237.347 2.095 20 0 BEADMN Cc1ncoc1CN[C@H]1COc2ccccc2C1 ZINC000894204033 583338684 /nfs/dbraw/zinc/33/86/84/583338684.db2.gz HKMRCNAXYUFGII-GFCCVEGCSA-N 0 1 244.294 2.076 20 0 BEADMN CCCn1cc(CN2CC[C@H](C3CCC3)C2)nn1 ZINC000877593187 583338919 /nfs/dbraw/zinc/33/89/19/583338919.db2.gz PIQSDZYTRWFYHB-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1ncoc1CNCCOC1CCCCC1 ZINC000894206058 583347948 /nfs/dbraw/zinc/34/79/48/583347948.db2.gz DNDOWGFASJHTFK-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN Cc1conc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000877934061 583354255 /nfs/dbraw/zinc/35/42/55/583354255.db2.gz AKWFYZZQILWOMM-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN C=C/C=C/CCN1CCN(c2nccs2)CC1 ZINC000877928727 583354408 /nfs/dbraw/zinc/35/44/08/583354408.db2.gz GQHMPJPZXWLBLA-ONEGZZNKSA-N 0 1 249.383 2.397 20 0 BEADMN COc1ccc(CN2CCC=C(C)C2)o1 ZINC000894220650 583382314 /nfs/dbraw/zinc/38/23/14/583382314.db2.gz JUIFMMILBLOLAP-UHFFFAOYSA-N 0 1 207.273 2.440 20 0 BEADMN Fc1ccc2c(c1)[C@H](NCc1c[nH]cn1)CC2 ZINC000894240457 583387447 /nfs/dbraw/zinc/38/74/47/583387447.db2.gz SUJHPECIYYKIOQ-CYBMUJFWSA-N 0 1 231.274 2.326 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(OC)o2)CCCO1 ZINC000894244581 583388932 /nfs/dbraw/zinc/38/89/32/583388932.db2.gz UHMDQCFIKUMUMX-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@@]1(F)CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC000878657324 583389687 /nfs/dbraw/zinc/38/96/87/583389687.db2.gz DFECWVIDDYNIIZ-GFCCVEGCSA-N 0 1 224.279 2.111 20 0 BEADMN Cc1ncoc1CNC[C@H](O)c1cccc(C)c1 ZINC000894337652 583427169 /nfs/dbraw/zinc/42/71/69/583427169.db2.gz VWAMDEIMFPZAGK-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN O=C1CCN1CN1CCC[C@H](c2ccccc2)C1 ZINC000857236637 588899696 /nfs/dbraw/zinc/89/96/96/588899696.db2.gz GHHWAGKWFMTUNG-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN Cc1cc2c(cc1NCc1cnc[nH]1)OCO2 ZINC000894434008 583458957 /nfs/dbraw/zinc/45/89/57/583458957.db2.gz KKSIYOLHJNTKSB-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN Cn1nc(C2CCCC2)cc1NCc1cnc[nH]1 ZINC000894439889 583460230 /nfs/dbraw/zinc/46/02/30/583460230.db2.gz PYTLWJOSVSQFTA-UHFFFAOYSA-N 0 1 245.330 2.413 20 0 BEADMN Cc1ncoc1C[N@H+]1CCCC2(CC2)C1 ZINC000894483021 583468979 /nfs/dbraw/zinc/46/89/79/583468979.db2.gz GIIAYDMSVIQMMU-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN Cc1[nH]nc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1C ZINC000894532708 583478719 /nfs/dbraw/zinc/47/87/19/583478719.db2.gz DVQZDDLCJOAQBG-UWJYBYFXSA-N 0 1 237.347 2.024 20 0 BEADMN Cc1[nH]nc(CN2CC(C)(C)OC[C@@H]2C)c1C ZINC000894560306 583482728 /nfs/dbraw/zinc/48/27/28/583482728.db2.gz XOWNZTUMEOXOMR-VIFPVBQESA-N 0 1 237.347 2.026 20 0 BEADMN Cc1[nH]nc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1C ZINC000894598240 583493704 /nfs/dbraw/zinc/49/37/04/583493704.db2.gz XKXPTDFUHKBCBZ-XPTSAGLGSA-N 0 1 249.358 2.026 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000894612364 583494061 /nfs/dbraw/zinc/49/40/61/583494061.db2.gz GUIYCPUBWZDJOK-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN COC[C@H]1CCN1Cc1ccc2c(c1)CCCO2 ZINC000894612364 583494062 /nfs/dbraw/zinc/49/40/62/583494062.db2.gz GUIYCPUBWZDJOK-CQSZACIVSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)c(F)c2)[C@@H]1C ZINC000894627319 583495097 /nfs/dbraw/zinc/49/50/97/583495097.db2.gz FUPJXTUXZRZRNZ-RKDXNWHRSA-N 0 1 209.264 2.372 20 0 BEADMN C[C@@H]1CN(Cc2ccnn2C2CCC2)[C@H]1C ZINC000894627768 583495543 /nfs/dbraw/zinc/49/55/43/583495543.db2.gz JZPCZPUZYWNOAW-MNOVXSKESA-N 0 1 219.332 2.448 20 0 BEADMN CCOc1ccc(C[N@H+]2CCC[C@@H](O)CC2)o1 ZINC000894652193 583501491 /nfs/dbraw/zinc/50/14/91/583501491.db2.gz YFANUIHUDFBNPA-LLVKDONJSA-N 0 1 239.315 2.025 20 0 BEADMN CCOc1ccc(CN2CCC[C@@H](O)CC2)o1 ZINC000894652193 583501492 /nfs/dbraw/zinc/50/14/92/583501492.db2.gz YFANUIHUDFBNPA-LLVKDONJSA-N 0 1 239.315 2.025 20 0 BEADMN COC1CCC(CNC(CF)CF)CC1 ZINC000894669152 583503411 /nfs/dbraw/zinc/50/34/11/583503411.db2.gz YWHUHGSPWWICTG-UHFFFAOYSA-N 0 1 221.291 2.089 20 0 BEADMN Cc1cc(CN[C@@H](C)c2n[nH]c(C)n2)c(C)o1 ZINC000894772159 583516921 /nfs/dbraw/zinc/51/69/21/583516921.db2.gz GKFUHOMIFMBXTR-QMMMGPOBSA-N 0 1 234.303 2.174 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CCC23CCC3)[nH]1 ZINC000894774680 583517481 /nfs/dbraw/zinc/51/74/81/583517481.db2.gz VYAOBLSVOZHWNT-PSASIEDQSA-N 0 1 220.320 2.096 20 0 BEADMN Cc1nnc([C@H](C)NC2CC3(CCC3)C2)[nH]1 ZINC000894778259 583519884 /nfs/dbraw/zinc/51/98/84/583519884.db2.gz OWKHHXRZAJGUIT-QMMMGPOBSA-N 0 1 220.320 2.096 20 0 BEADMN Cc1ncoc1CN[C@H](C)[C@@H](O)c1ccccc1 ZINC000894785961 583521273 /nfs/dbraw/zinc/52/12/73/583521273.db2.gz BAISKRLREOQQRQ-BXUZGUMPSA-N 0 1 246.310 2.195 20 0 BEADMN Cc1nnc(CNCCC2CC(F)(F)C2)s1 ZINC000894803983 583522110 /nfs/dbraw/zinc/52/21/10/583522110.db2.gz GMPKYZYHVQAXLQ-UHFFFAOYSA-N 0 1 247.314 2.372 20 0 BEADMN CCC1CN(Cc2cn3ccnc3s2)C1 ZINC000894813922 583524135 /nfs/dbraw/zinc/52/41/35/583524135.db2.gz WCAGEEUYWICOCV-UHFFFAOYSA-N 0 1 221.329 2.238 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2nccn2C2CC2)C1 ZINC000894846613 583531369 /nfs/dbraw/zinc/53/13/69/583531369.db2.gz SFJIVZITVZSBIP-BJHJDKERSA-N 0 1 249.358 2.264 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnc(C2CC2)nc1 ZINC000894861319 583536258 /nfs/dbraw/zinc/53/62/58/583536258.db2.gz DUPVJLOYYUPLII-VHSXEESVSA-N 0 1 217.316 2.194 20 0 BEADMN COC[C@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894949309 583558983 /nfs/dbraw/zinc/55/89/83/583558983.db2.gz VBHCEXSDOVKULV-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN COC[C@@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894949310 583559252 /nfs/dbraw/zinc/55/92/52/583559252.db2.gz VBHCEXSDOVKULV-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1ccccc1CC1CN(Cc2cnc[nH]2)C1 ZINC000894970698 583561181 /nfs/dbraw/zinc/56/11/81/583561181.db2.gz LACLBRUJSTXVHL-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN CO[C@H](CNCc1ocnc1C)CC(C)C ZINC000895024232 583570170 /nfs/dbraw/zinc/57/01/70/583570170.db2.gz JRFGTLVQEDDCRQ-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN Cc1n[nH]c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1C ZINC000895074065 583580330 /nfs/dbraw/zinc/58/03/30/583580330.db2.gz LHSSTWHYVOWHQV-GFCCVEGCSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1n[nH]c(CN2CC[C@@H](OC(C)C)C2)c1C ZINC000895074065 583580331 /nfs/dbraw/zinc/58/03/31/583580331.db2.gz LHSSTWHYVOWHQV-GFCCVEGCSA-N 0 1 237.347 2.026 20 0 BEADMN CCc1cc(CN[C@H]2CCCc3cn[nH]c32)on1 ZINC000857855654 588913560 /nfs/dbraw/zinc/91/35/60/588913560.db2.gz VPWBPEZQWHGBLE-LBPRGKRZSA-N 0 1 246.314 2.127 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc[nH]1 ZINC000857861904 588914787 /nfs/dbraw/zinc/91/47/87/588914787.db2.gz VYTMLSGWLXUQQC-BXKDBHETSA-N 0 1 230.315 2.466 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000882489114 583617778 /nfs/dbraw/zinc/61/77/78/583617778.db2.gz LYXXZTBHRAAVFX-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC000882486341 583617984 /nfs/dbraw/zinc/61/79/84/583617984.db2.gz QHSZRGHXVMIICV-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1nc(CN[C@@H]2CCCc3cn[nH]c32)co1 ZINC000857869420 588916867 /nfs/dbraw/zinc/91/68/67/588916867.db2.gz OBOFLOGNDYZLPE-LLVKDONJSA-N 0 1 246.314 2.127 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CCCC(C)C ZINC000882495060 583618274 /nfs/dbraw/zinc/61/82/74/583618274.db2.gz WERUIFJRNKUKJC-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN COC[C@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000727172657 583619741 /nfs/dbraw/zinc/61/97/41/583619741.db2.gz LEFKPKUKHACNSJ-VIFPVBQESA-N 0 1 247.216 2.053 20 0 BEADMN CSc1ccc(CN(C[C@@H](C)O)C2CC2)o1 ZINC000895193435 583622413 /nfs/dbraw/zinc/62/24/13/583622413.db2.gz ZTSZRTRCKSIUHF-SECBINFHSA-N 0 1 241.356 2.347 20 0 BEADMN CSc1ccc(CN(C[C@H](C)O)C2CC2)o1 ZINC000895193436 583622441 /nfs/dbraw/zinc/62/24/41/583622441.db2.gz ZTSZRTRCKSIUHF-VIFPVBQESA-N 0 1 241.356 2.347 20 0 BEADMN c1ncc(CNc2ccc3c(c2)CCOC3)[nH]1 ZINC000895277588 583635923 /nfs/dbraw/zinc/63/59/23/583635923.db2.gz IWVOIACIHUBMOZ-UHFFFAOYSA-N 0 1 229.283 2.095 20 0 BEADMN Cc1cc(CNC[C@@H]2CC(C)=NO2)cs1 ZINC000895299240 583640715 /nfs/dbraw/zinc/64/07/15/583640715.db2.gz AKPPUVYEFYHWDP-NSHDSACASA-N 0 1 224.329 2.311 20 0 BEADMN CCOc1ccc(CN(C)Cc2cnc[nH]2)o1 ZINC000895303912 583645453 /nfs/dbraw/zinc/64/54/53/583645453.db2.gz YQGAVKCIJDJDQY-UHFFFAOYSA-N 0 1 235.287 2.033 20 0 BEADMN COc1ccsc1CNC[C@H]1CC(C)=NO1 ZINC000895308846 583646516 /nfs/dbraw/zinc/64/65/16/583646516.db2.gz PMMGZDKPYZTQFL-SECBINFHSA-N 0 1 240.328 2.011 20 0 BEADMN CC1=NO[C@@H](CNCc2ccccc2F)C1 ZINC000895310085 583646871 /nfs/dbraw/zinc/64/68/71/583646871.db2.gz GJSXARURYYKBQD-LLVKDONJSA-N 0 1 222.263 2.080 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@H]3C[C@H]3C2)n1 ZINC000895326350 583651038 /nfs/dbraw/zinc/65/10/38/583651038.db2.gz BGXFCSFVAQYRKP-QWRGUYRKSA-N 0 1 219.332 2.375 20 0 BEADMN CSc1ccc(CN2CCC3(COC3)C2)o1 ZINC000895334075 583652825 /nfs/dbraw/zinc/65/28/25/583652825.db2.gz GMTPDAPJAHKPNT-UHFFFAOYSA-N 0 1 239.340 2.224 20 0 BEADMN CCOc1ccc(CN[C@H]2C=CCC2)o1 ZINC000895338629 583653744 /nfs/dbraw/zinc/65/37/44/583653744.db2.gz TVJVIQXKKKRVNG-JTQLQIEISA-N 0 1 207.273 2.487 20 0 BEADMN CCCOc1cncc(NCc2cnc[nH]2)c1 ZINC000895393964 583664547 /nfs/dbraw/zinc/66/45/47/583664547.db2.gz QZNWIMOXJSLCRS-UHFFFAOYSA-N 0 1 232.287 2.206 20 0 BEADMN Cc1cnc(Cl)c(CNC2CSC2)c1 ZINC000895435480 583668887 /nfs/dbraw/zinc/66/88/87/583668887.db2.gz ZAVRYQYMXQFBIT-UHFFFAOYSA-N 0 1 228.748 2.248 20 0 BEADMN Cc1cnc(Cl)c(CNC2([C@@H](C)O)CC2)c1 ZINC000895441737 583675233 /nfs/dbraw/zinc/67/52/33/583675233.db2.gz FRNXSFZVBHNLGT-SECBINFHSA-N 0 1 240.734 2.046 20 0 BEADMN COc1ccc(CN2CC(CC3CC3)C2)nc1 ZINC000895516542 583683367 /nfs/dbraw/zinc/68/33/67/583683367.db2.gz UKNWEWCFOWTIMZ-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN CCC[C@@H](C)CCNCc1csnn1 ZINC000895531907 583685796 /nfs/dbraw/zinc/68/57/96/583685796.db2.gz KARVFBROWLFLJJ-SECBINFHSA-N 0 1 213.350 2.454 20 0 BEADMN FC(F)Cn1cc(CN2CCC(F)CC2)cn1 ZINC000895547391 583686673 /nfs/dbraw/zinc/68/66/73/583686673.db2.gz XDAIIQHPLSVEBU-UHFFFAOYSA-N 0 1 247.264 2.082 20 0 BEADMN Clc1n[nH]c(C2CC2)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000895557845 583691143 /nfs/dbraw/zinc/69/11/43/583691143.db2.gz HYXILHGHACQIAF-DTORHVGOSA-N 0 1 237.734 2.392 20 0 BEADMN Cc1cnc(Cl)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000895559277 583691448 /nfs/dbraw/zinc/69/14/48/583691448.db2.gz NYEWFZUZCHNKHC-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN CCCCCCNC(=O)c1cncc2nc[nH]c21 ZINC000895577108 583693618 /nfs/dbraw/zinc/69/36/18/583693618.db2.gz HZFLIVFPAXUEQB-UHFFFAOYSA-N 0 1 246.314 2.268 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895606069 583697158 /nfs/dbraw/zinc/69/71/58/583697158.db2.gz WFYDBPRZHOBXRH-PWSUYJOCSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCCN1C ZINC000895630129 583698380 /nfs/dbraw/zinc/69/83/80/583698380.db2.gz UYJUVQHUXDOPOX-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CCCNC(=O)c1cncc2nc[nH]c21 ZINC000895648083 583699522 /nfs/dbraw/zinc/69/95/22/583699522.db2.gz ROJRMOIHEJTOKI-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN CC(C)CCN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000895664845 583703068 /nfs/dbraw/zinc/70/30/68/583703068.db2.gz BCZNMBLUPRTIJJ-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN Cc1cc(CNCC(C)(C)F)cnc1F ZINC000895691375 583707624 /nfs/dbraw/zinc/70/76/24/583707624.db2.gz OPJCULFUPYCKLD-UHFFFAOYSA-N 0 1 214.259 2.367 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895702190 583709746 /nfs/dbraw/zinc/70/97/46/583709746.db2.gz JHTGSICMNZTMCA-RYUDHWBXSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)ncn1 ZINC000895736038 583718571 /nfs/dbraw/zinc/71/85/71/583718571.db2.gz ZPOGXOQTAXLQON-YPMHNXCESA-N 0 1 248.374 2.180 20 0 BEADMN C[C@H](N[C@@H]1CSC[C@H]1C)c1ncco1 ZINC000895764495 583722320 /nfs/dbraw/zinc/72/23/20/583722320.db2.gz HNWGNRLMCUNVFK-HRDYMLBCSA-N 0 1 212.318 2.077 20 0 BEADMN COC1CCC(N[C@H](C)c2ncco2)CC1 ZINC000895764785 583723418 /nfs/dbraw/zinc/72/34/18/583723418.db2.gz JBQFCAVPLJEOOS-KPPDAEKUSA-N 0 1 224.304 2.283 20 0 BEADMN C[N@H+]1CC[C@@H]1CNc1ccnc2cc(F)ccc21 ZINC000895770732 583725458 /nfs/dbraw/zinc/72/54/58/583725458.db2.gz DHUKIXHJXISTGH-LLVKDONJSA-N 0 1 245.301 2.490 20 0 BEADMN CS[C@H]1C[C@H](NCc2nccn2C2CC2)C1 ZINC000895778204 583726809 /nfs/dbraw/zinc/72/68/09/583726809.db2.gz UNAPAOWPYOVPPH-HOMQSWHASA-N 0 1 237.372 2.202 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC000895855927 583737320 /nfs/dbraw/zinc/73/73/20/583737320.db2.gz VCHZXOZJDITHEQ-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](CNC(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000895869616 583738552 /nfs/dbraw/zinc/73/85/52/583738552.db2.gz GIEKXGNHWPMPMW-JQWIXIFHSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H]1C[C@H](CN2CC(OC(C)C)C2)CCO1 ZINC000895955928 583752840 /nfs/dbraw/zinc/75/28/40/583752840.db2.gz ZAFYJZSSZOLYNW-OLZOCXBDSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H](CN1CCO[C@@H](OC)C1)c1ccccc1 ZINC000895968092 583754555 /nfs/dbraw/zinc/75/45/55/583754555.db2.gz HBBOJXCAXFMCQB-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN COCC1CN(Cc2ccc(SC)cc2)C1 ZINC000895972356 583756634 /nfs/dbraw/zinc/75/66/34/583756634.db2.gz XBWWBHQXXBOGGY-UHFFFAOYSA-N 0 1 237.368 2.487 20 0 BEADMN Cc1cc(CCNc2cc(C)ccn2)nn1C ZINC000896026386 583764802 /nfs/dbraw/zinc/76/48/02/583764802.db2.gz NGXVLGQOXKTXLW-UHFFFAOYSA-N 0 1 230.315 2.087 20 0 BEADMN CC(=O)OC[C@H](C)NCc1cscc1Cl ZINC000896039402 583766302 /nfs/dbraw/zinc/76/63/02/583766302.db2.gz HRBRHBUXQNRSHV-ZETCQYMHSA-N 0 1 247.747 2.443 20 0 BEADMN COc1ccc(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)o1 ZINC000896076935 583768991 /nfs/dbraw/zinc/76/89/91/583768991.db2.gz VIRCHJCPEMXDSO-QWRGUYRKSA-N 0 1 239.315 2.288 20 0 BEADMN COc1ccc(CN2C[C@@H](OC)CC[C@@H]2C)o1 ZINC000896076935 583768993 /nfs/dbraw/zinc/76/89/93/583768993.db2.gz VIRCHJCPEMXDSO-QWRGUYRKSA-N 0 1 239.315 2.288 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2=CCCCC2)n1 ZINC000795528946 583774318 /nfs/dbraw/zinc/77/43/18/583774318.db2.gz BUIAGXIANAGVJV-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CC(C)c1nc(COC(=O)C2=CCCCC2)n[nH]1 ZINC000795528946 583774319 /nfs/dbraw/zinc/77/43/19/583774319.db2.gz BUIAGXIANAGVJV-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000896182488 583779133 /nfs/dbraw/zinc/77/91/33/583779133.db2.gz UTKPIFKMAFSPTC-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1C[C@@H](Nc2ncnc3[nH]cnc32)CCS1 ZINC000896244233 583784185 /nfs/dbraw/zinc/78/41/85/583784185.db2.gz GJYICEQLOVLUFB-YUMQZZPRSA-N 0 1 249.343 2.049 20 0 BEADMN C[C@@H]1C[C@H](Nc2ncnc3[nH]cnc32)CCS1 ZINC000896244230 583784233 /nfs/dbraw/zinc/78/42/33/583784233.db2.gz GJYICEQLOVLUFB-HTQZYQBOSA-N 0 1 249.343 2.049 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)s1 ZINC000896398365 583799460 /nfs/dbraw/zinc/79/94/60/583799460.db2.gz JYEOVYFMDFOXMQ-DOLQZWNJSA-N 0 1 237.372 2.235 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000896523085 583808906 /nfs/dbraw/zinc/80/89/06/583808906.db2.gz XFTQZWCCHUCZIX-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CCN(Cc2cc3cnccc3o2)CCO1 ZINC000896576745 583814011 /nfs/dbraw/zinc/81/40/11/583814011.db2.gz DVPWVJFQHKRQOT-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN CC(C)n1cc(CN2CCO[C@@H](C)CC2)cn1 ZINC000896583637 583815687 /nfs/dbraw/zinc/81/56/87/583815687.db2.gz DUPYQYFDTFXVGB-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H](c2ncccn2)C2CC2)CS1 ZINC000896599885 583817189 /nfs/dbraw/zinc/81/71/89/583817189.db2.gz UFJZYUUOAAGXKX-JLLWLGSASA-N 0 1 249.383 2.411 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2ncccn2)C2CC2)CS1 ZINC000896599886 583817193 /nfs/dbraw/zinc/81/71/93/583817193.db2.gz UFJZYUUOAAGXKX-USWWRNFRSA-N 0 1 249.383 2.411 20 0 BEADMN C[C@@H]1CSC[C@@H]1N[C@H](c1ncccn1)C1CC1 ZINC000896600407 583817214 /nfs/dbraw/zinc/81/72/14/583817214.db2.gz XFSAWNZQWIRZQD-USWWRNFRSA-N 0 1 249.383 2.269 20 0 BEADMN C[C@H]1CCC[C@H](C)N(C(=O)[C@H]2CCCN2C)C1 ZINC000896656238 583821452 /nfs/dbraw/zinc/82/14/52/583821452.db2.gz GLKJGBLLAUEDEW-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1nc(C)c(C)[nH]1 ZINC000896916347 583854799 /nfs/dbraw/zinc/85/47/99/583854799.db2.gz CWHOAKZZCOGXNX-VQHVLOKHSA-N 0 1 235.331 2.389 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000896944967 583863027 /nfs/dbraw/zinc/86/30/27/583863027.db2.gz TXAGXURZVDTKRN-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCn1ncc(CN[C@@H]2CC23CCCCC3)n1 ZINC000858191573 588938317 /nfs/dbraw/zinc/93/83/17/588938317.db2.gz XGMQEOCEEXIIBP-GFCCVEGCSA-N 0 1 234.347 2.110 20 0 BEADMN CC[C@H](C)N(OC)C(=O)[C@H]1CCN1C(C)(C)C ZINC000897043180 583874133 /nfs/dbraw/zinc/87/41/33/583874133.db2.gz NRACZWTUDUETTL-WDEREUQCSA-N 0 1 242.363 2.048 20 0 BEADMN Cc1nccc(NC2CC(CCO)C2)c1Cl ZINC000897234088 583899097 /nfs/dbraw/zinc/89/90/97/583899097.db2.gz JLXYUPFBCQSQPW-UHFFFAOYSA-N 0 1 240.734 2.038 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCCC2(CCCC2)C1 ZINC000336563246 583902332 /nfs/dbraw/zinc/90/23/32/583902332.db2.gz QNZDDCGYWQZPPD-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN C[C@H]1C[C@H]1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304323 583912979 /nfs/dbraw/zinc/91/29/79/583912979.db2.gz BGACQHYVCVMGRN-IUCAKERBSA-N 0 1 241.281 2.459 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)c1cccc2[nH]ncc21 ZINC000729089480 583955088 /nfs/dbraw/zinc/95/50/88/583955088.db2.gz GFCBWKSYNJFZQI-BDAKNGLRSA-N 0 1 230.267 2.376 20 0 BEADMN S=C1SCCN1CN1CCC2(CCC2)C1 ZINC000121881887 583990966 /nfs/dbraw/zinc/99/09/66/583990966.db2.gz FAVPPSOGAJUSTF-UHFFFAOYSA-N 0 1 242.413 2.154 20 0 BEADMN CC[C@@H]1CN(CC)CCN1c1nccs1 ZINC000729922402 584029630 /nfs/dbraw/zinc/02/96/30/584029630.db2.gz ZWQBKOIRUGHPRW-SNVBAGLBSA-N 0 1 225.361 2.064 20 0 BEADMN Cl/C=C\C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932031 584030589 /nfs/dbraw/zinc/03/05/89/584030589.db2.gz SXKNIFONDUNLMI-MORRKMRCSA-N 0 1 225.723 2.273 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)nn1 ZINC000897683717 584039959 /nfs/dbraw/zinc/03/99/59/584039959.db2.gz RMTFRXMCQVFUDS-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CCCC[C@H]2C)nn1 ZINC000897683717 584039961 /nfs/dbraw/zinc/03/99/61/584039961.db2.gz RMTFRXMCQVFUDS-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CC1(C)C[C@@H](NCc2ccon2)CCS1 ZINC000897792800 584048856 /nfs/dbraw/zinc/04/88/56/584048856.db2.gz GFBAAYCBBRIBIP-VIFPVBQESA-N 0 1 226.345 2.438 20 0 BEADMN C[C@H](NCc1cnn2c1CCC2)c1cncs1 ZINC000897930568 584061421 /nfs/dbraw/zinc/06/14/21/584061421.db2.gz QZSYVBKANCQVSF-VIFPVBQESA-N 0 1 248.355 2.137 20 0 BEADMN FC1(F)CC[C@H](CCNCc2csnn2)C1 ZINC000898017772 584075333 /nfs/dbraw/zinc/07/53/33/584075333.db2.gz SFDJSUKPXLZDFP-MRVPVSSYSA-N 0 1 247.314 2.453 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2cn(C)cn2)CS1 ZINC000898043654 584081359 /nfs/dbraw/zinc/08/13/59/584081359.db2.gz XCTTZUOWOXEOCV-JQWIXIFHSA-N 0 1 239.388 2.040 20 0 BEADMN CC(C)CCCCN1CC[C@@H](O)[C@H](F)C1 ZINC000898189248 584094955 /nfs/dbraw/zinc/09/49/55/584094955.db2.gz RRTORARZQUMUPQ-VXGBXAGGSA-N 0 1 217.328 2.217 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2COC[C@H]2C2CC2)n1 ZINC000898375815 584113115 /nfs/dbraw/zinc/11/31/15/584113115.db2.gz HWFINWGIKSURNH-AAEUAGOBSA-N 0 1 249.358 2.048 20 0 BEADMN CC(C)[C@@H](C(=O)OC1CCCCC1)N(C)C ZINC000730088322 584122590 /nfs/dbraw/zinc/12/25/90/584122590.db2.gz BRNOJKNCOYPQOK-LBPRGKRZSA-N 0 1 227.348 2.449 20 0 BEADMN CC1(C)C(C)(C)C1(C)NCc1ncc[nH]1 ZINC000898413898 584131441 /nfs/dbraw/zinc/13/14/41/584131441.db2.gz DMDWHDSUXOUTCI-UHFFFAOYSA-N 0 1 207.321 2.324 20 0 BEADMN Cn1nc2c(c1CNC/C=C/Cl)CCCC2 ZINC000898427760 584133275 /nfs/dbraw/zinc/13/32/75/584133275.db2.gz FLYKMNWYRHNTMF-QPJJXVBHSA-N 0 1 239.750 2.141 20 0 BEADMN O=c1c(CNC/C=C/Cl)cccn1C(F)F ZINC000898429577 584133794 /nfs/dbraw/zinc/13/37/94/584133794.db2.gz QQKWUVMAWULWOM-DUXPYHPUSA-N 0 1 248.660 2.086 20 0 BEADMN C[C@H](O)c1ncc(CNC/C=C\Cl)s1 ZINC000898434070 584135182 /nfs/dbraw/zinc/13/51/82/584135182.db2.gz SJFXNTIPUJTPNM-XDVGHUOJSA-N 0 1 232.736 2.039 20 0 BEADMN Cc1cccn2c(CNC/C=C/Cl)cnc12 ZINC000898435658 584135682 /nfs/dbraw/zinc/13/56/82/584135682.db2.gz LIUHXJKCHQPVNN-HWKANZROSA-N 0 1 235.718 2.485 20 0 BEADMN Fc1cccc(OCCCNCc2ncc[nH]2)c1 ZINC000898446605 584136905 /nfs/dbraw/zinc/13/69/05/584136905.db2.gz YPZKBWFEGABELA-UHFFFAOYSA-N 0 1 249.289 2.108 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@H]1CC12CCC2 ZINC000898572975 584142783 /nfs/dbraw/zinc/14/27/83/584142783.db2.gz GARRXGAXVGECNX-LLVKDONJSA-N 0 1 235.258 2.426 20 0 BEADMN CC[C@H](C)N(CC)C(=O)c1c[nH]cc2ncnc1-2 ZINC000898580013 584143965 /nfs/dbraw/zinc/14/39/65/584143965.db2.gz ZRCSTXQLYHEXCC-VIFPVBQESA-N 0 1 246.314 2.219 20 0 BEADMN O=C(C1CCC=CCC1)N1CC(N2CCCC2)C1 ZINC000898597940 584144737 /nfs/dbraw/zinc/14/47/37/584144737.db2.gz LEBNRKFLSBTMTO-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN CCC[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000899203775 584181402 /nfs/dbraw/zinc/18/14/02/584181402.db2.gz SYTPAVTXMZDNNG-QJPTWQEYSA-N 0 1 249.358 2.456 20 0 BEADMN CCN1CCN(c2nc(Cl)cs2)[C@H](C)C1 ZINC000858542232 588963830 /nfs/dbraw/zinc/96/38/30/588963830.db2.gz AVXCLYJHTIFMKS-MRVPVSSYSA-N 0 1 245.779 2.327 20 0 BEADMN NCc1ncc(-c2ccc3c(c2)CCC3)cn1 ZINC000899319142 584196388 /nfs/dbraw/zinc/19/63/88/584196388.db2.gz GBALKIIJYUGPMP-UHFFFAOYSA-N 0 1 225.295 2.091 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1C[C@@H]1CCSC1 ZINC000899355604 584201523 /nfs/dbraw/zinc/20/15/23/584201523.db2.gz SDAQZDJUMSSFRZ-JTQLQIEISA-N 0 1 238.356 2.128 20 0 BEADMN Cn1nccc1N1N=C2CCCCCC[C@@H]2C1=O ZINC000899363509 584204516 /nfs/dbraw/zinc/20/45/16/584204516.db2.gz COJVXMXCTSGPDR-JTQLQIEISA-N 0 1 246.314 2.093 20 0 BEADMN Cn1nccc1-n1[nH]c2c(c1=O)CCCCCC2 ZINC000899363509 584204518 /nfs/dbraw/zinc/20/45/18/584204518.db2.gz COJVXMXCTSGPDR-JTQLQIEISA-N 0 1 246.314 2.093 20 0 BEADMN Cc1[nH]n(-c2cc(F)ccc2F)c(=O)c1C ZINC000899361718 584207231 /nfs/dbraw/zinc/20/72/31/584207231.db2.gz BQCPATJFQRSZMB-ZCFIWIBFSA-N 0 1 224.210 2.323 20 0 BEADMN C[C@@H]1CCN(C(=O)CN(C)C)[C@H]1c1ccccc1 ZINC000899375382 584207486 /nfs/dbraw/zinc/20/74/86/584207486.db2.gz LMFWMOFKNSMORW-IUODEOHRSA-N 0 1 246.354 2.158 20 0 BEADMN NCc1nccn1CC1CCC2(CC2)CC1 ZINC000899632614 584221868 /nfs/dbraw/zinc/22/18/68/584221868.db2.gz FVTHXMIBQYTHHY-UHFFFAOYSA-N 0 1 219.332 2.312 20 0 BEADMN c1c([C@H]2CCCCN2)nnn1-c1ccccc1 ZINC000899681627 584224258 /nfs/dbraw/zinc/22/42/58/584224258.db2.gz BXLGUGKCHPJWTL-GFCCVEGCSA-N 0 1 228.299 2.082 20 0 BEADMN Cc1cccc(-n2cc([C@@H]3CCCCN3)nn2)c1 ZINC000899687518 584225076 /nfs/dbraw/zinc/22/50/76/584225076.db2.gz WMLSAVYWBBCPOF-ZDUSSCGKSA-N 0 1 242.326 2.390 20 0 BEADMN c1c([C@H]2CCCCN2)nnn1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000899731227 584230617 /nfs/dbraw/zinc/23/06/17/584230617.db2.gz VFBPTQJYDJRCLX-YVECIDJPSA-N 0 1 246.358 2.139 20 0 BEADMN CC(C)NCc1cn(CC[Si](C)(C)C)nn1 ZINC000899742813 584236000 /nfs/dbraw/zinc/23/60/00/584236000.db2.gz JACIPKULMXJHBA-UHFFFAOYSA-N 0 1 240.427 2.114 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CCCF)c1 ZINC000899816007 584240926 /nfs/dbraw/zinc/24/09/26/584240926.db2.gz MCZGQDAIHIVWAG-UHFFFAOYSA-N 0 1 249.289 2.303 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2cn(CC)nn2)C1 ZINC000899866988 584243824 /nfs/dbraw/zinc/24/38/24/584243824.db2.gz KDUOUMUROLKFFV-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@]1(c2nc(C3(N)CCCC3)no2)C=CCC1 ZINC000900006115 584264302 /nfs/dbraw/zinc/26/43/02/584264302.db2.gz QGJLRFXZRFKKIG-LBPRGKRZSA-N 0 1 233.315 2.405 20 0 BEADMN NC1(c2noc(C[C@@H]3CC=CCC3)n2)CCC1 ZINC000900008999 584265043 /nfs/dbraw/zinc/26/50/43/584265043.db2.gz SCPBITHVWTXXDU-SNVBAGLBSA-N 0 1 233.315 2.306 20 0 BEADMN Cc1nc2ccc(NC(=O)CCF)cc2[nH]1 ZINC000900049506 584268746 /nfs/dbraw/zinc/26/87/46/584268746.db2.gz OOFPESDWIINLFY-UHFFFAOYSA-N 0 1 221.235 2.169 20 0 BEADMN CC[C@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000900124091 584275949 /nfs/dbraw/zinc/27/59/49/584275949.db2.gz NWPLRHIFJLLGDT-ZDUSSCGKSA-N 0 1 243.310 2.220 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)c1[nH]ncc1F ZINC000900111417 584276417 /nfs/dbraw/zinc/27/64/17/584276417.db2.gz VCMGJTWJYHGNCK-SECBINFHSA-N 0 1 241.310 2.495 20 0 BEADMN CCCCC[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900111512 584276438 /nfs/dbraw/zinc/27/64/38/584276438.db2.gz YADFUXXEKLGNCK-JTQLQIEISA-N 0 1 223.320 2.037 20 0 BEADMN CC[C@]1(C(=O)[O-])CCCN(c2cccc(C)[nH+]2)C1 ZINC000900376670 584299575 /nfs/dbraw/zinc/29/95/75/584299575.db2.gz UVQSSAMKFXLZLB-AWEZNQCLSA-N 0 1 248.326 2.471 20 0 BEADMN CCNCc1cn(CC2CCC3(CC3)CC2)nn1 ZINC000900599655 584330484 /nfs/dbraw/zinc/33/04/84/584330484.db2.gz HHBOXWITZHXZDI-UHFFFAOYSA-N 0 1 248.374 2.358 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](C)C1 ZINC000900697627 584339707 /nfs/dbraw/zinc/33/97/07/584339707.db2.gz GUCVULHKUPCJQN-NQMVMOMDSA-N 0 1 239.294 2.103 20 0 BEADMN CCC(C)(CC)NC(=O)CN(C)C1CCC1 ZINC000900697493 584339744 /nfs/dbraw/zinc/33/97/44/584339744.db2.gz LLCZLCRTVKKOPW-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN O=C(Cc1cnc[nH]1)NCCCCC1CCCC1 ZINC000900880909 584360906 /nfs/dbraw/zinc/36/09/06/584360906.db2.gz KMURXEYZRBMHPF-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000900897094 584362522 /nfs/dbraw/zinc/36/25/22/584362522.db2.gz KHHXOLWUSQRBHR-AWEZNQCLSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1nc(N[C@@H]2CCC[C@@H]2C(=O)[O-])c(C)c(C)[nH+]1 ZINC000900978516 584371016 /nfs/dbraw/zinc/37/10/16/584371016.db2.gz JWHYBEZNBDVQHY-WDEREUQCSA-N 0 1 249.314 2.067 20 0 BEADMN Cc1nc(CNC(=O)C=CC(C)(C)C)[nH]c1C ZINC000900997982 584375069 /nfs/dbraw/zinc/37/50/69/584375069.db2.gz QDMBYLYGLGBWNN-VOTSOKGWSA-N 0 1 235.331 2.245 20 0 BEADMN CCCC[C@H](NC(=O)Cc1cnc[nH]1)C1CCC1 ZINC000901021474 584377434 /nfs/dbraw/zinc/37/74/34/584377434.db2.gz JQIHAHGAKZPJGW-ZDUSSCGKSA-N 0 1 249.358 2.427 20 0 BEADMN CC(C)(CNC(=O)Cc1cnc[nH]1)C1CCCC1 ZINC000901192971 584396956 /nfs/dbraw/zinc/39/69/56/584396956.db2.gz UNPXPXYJNUBLLO-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)(C)[C@@H](N)c1cc(-c2csnn2)no1 ZINC000901405005 584439336 /nfs/dbraw/zinc/43/93/36/584439336.db2.gz OAPSXAJHWFTJHQ-VIFPVBQESA-N 0 1 238.316 2.239 20 0 BEADMN Cc1noc2ncc(-c3cc([C@@H](C)N)on3)cc12 ZINC000901404568 584439435 /nfs/dbraw/zinc/43/94/35/584439435.db2.gz JRDVISOUUIHVHW-ZCFIWIBFSA-N 0 1 244.254 2.206 20 0 BEADMN CC[N@@H+](CC(=O)[O-])C/C(C)=C/c1ccccc1 ZINC000901426275 584442507 /nfs/dbraw/zinc/44/25/07/584442507.db2.gz GHHDIJWBSJQGNU-FMIVXFBMSA-N 0 1 233.311 2.496 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CC(C)=C[C@H](C)C1 ZINC000901426232 584442742 /nfs/dbraw/zinc/44/27/42/584442742.db2.gz FCNRLKXYAPXLMI-CMPLNLGQSA-N 0 1 225.332 2.385 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000901491358 584453090 /nfs/dbraw/zinc/45/30/90/584453090.db2.gz TZFXNMJEMYGARP-LBPRGKRZSA-N 0 1 244.294 2.074 20 0 BEADMN CCC[C@@H](C[N@@H+](CCC(=O)[O-])CC(C)C)OC ZINC000901592144 584465697 /nfs/dbraw/zinc/46/56/97/584465697.db2.gz ODNHIYFNXLRVBJ-LBPRGKRZSA-N 0 1 245.363 2.234 20 0 BEADMN CC[C@](C)(C[N@@H+](CCC(=O)[O-])CC(C)C)OC ZINC000901592074 584465924 /nfs/dbraw/zinc/46/59/24/584465924.db2.gz LMHGUZLIGPTBOI-CYBMUJFWSA-N 0 1 245.363 2.234 20 0 BEADMN Cc1cc(C)cc(CC[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000901598165 584468074 /nfs/dbraw/zinc/46/80/74/584468074.db2.gz UIFKJLBDXNQJPI-CYBMUJFWSA-N 0 1 249.354 2.498 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc2cc[nH]c21 ZINC000901605789 584469050 /nfs/dbraw/zinc/46/90/50/584469050.db2.gz ZTGHVNYMJDLTTE-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CCc1nc(CSCc2ccncc2)n[nH]1 ZINC000901630170 584470984 /nfs/dbraw/zinc/47/09/84/584470984.db2.gz JHFIPCGCPAWVIA-UHFFFAOYSA-N 0 1 234.328 2.196 20 0 BEADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CC1(F)CC1)C2 ZINC000901669290 584477829 /nfs/dbraw/zinc/47/78/29/584477829.db2.gz OTDSPJFUXUKWAF-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN Cc1ccc(CSCc2c[nH]nn2)o1 ZINC000901672280 584478475 /nfs/dbraw/zinc/47/84/75/584478475.db2.gz NVZRORJCKGQPML-UHFFFAOYSA-N 0 1 209.274 2.140 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC1CCC(F)(F)CC1 ZINC000901740166 584489434 /nfs/dbraw/zinc/48/94/34/584489434.db2.gz BSRKYWVBLGOREZ-QMMMGPOBSA-N 0 1 248.298 2.172 20 0 BEADMN O=C([O-])c1cccc2c1C[N@@H+](CC1(F)CC1)CC2 ZINC000901776100 584491911 /nfs/dbraw/zinc/49/19/11/584491911.db2.gz DGKWQYMYDVLVCB-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN CC(C)C[N@@H+](CC1CC1)CC(C)(C)C(=O)[O-] ZINC000901840468 584500507 /nfs/dbraw/zinc/50/05/07/584500507.db2.gz JUBJUSWBTYGOOX-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN c1nnc(Cc2nc(C3CCCCCC3)no2)[nH]1 ZINC000901953240 584508006 /nfs/dbraw/zinc/50/80/06/584508006.db2.gz VYFZPJNVSKGILY-UHFFFAOYSA-N 0 1 247.302 2.216 20 0 BEADMN Cc1occc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000901993309 584510493 /nfs/dbraw/zinc/51/04/93/584510493.db2.gz PUQYZLVEWKDRGE-VIFPVBQESA-N 0 1 237.299 2.273 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2n1C ZINC000901980111 584511729 /nfs/dbraw/zinc/51/17/29/584511729.db2.gz PJFWBPULISNEAH-JTQLQIEISA-N 0 1 246.310 2.083 20 0 BEADMN Cc1occc1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000902017763 584513785 /nfs/dbraw/zinc/51/37/85/584513785.db2.gz QSAIVEQKVBAAFY-CABZTGNLSA-N 0 1 237.299 2.273 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000902021573 584514624 /nfs/dbraw/zinc/51/46/24/584514624.db2.gz DIOSKTOIUXLJKV-VWYCJHECSA-N 0 1 213.321 2.074 20 0 BEADMN O=C1OCCN1CN(C1CC1)C1CCCCC1 ZINC000902054256 584518496 /nfs/dbraw/zinc/51/84/96/584518496.db2.gz ABMMBBXVQXCNSA-UHFFFAOYSA-N 0 1 238.331 2.193 20 0 BEADMN CCNc1ccccc1CNCc1c[nH]nc1C ZINC000902063940 584522700 /nfs/dbraw/zinc/52/27/00/584522700.db2.gz NIOZXZSYXVMRGJ-UHFFFAOYSA-N 0 1 244.342 2.440 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902195511 584536615 /nfs/dbraw/zinc/53/66/15/584536615.db2.gz HUTBZFLZBHRKTH-VOTSOKGWSA-N 0 1 237.299 2.465 20 0 BEADMN CCNc1ccccc1CNCc1cc(C)n[nH]1 ZINC000902259677 584544790 /nfs/dbraw/zinc/54/47/90/584544790.db2.gz LSNMUCXHBFVIBL-UHFFFAOYSA-N 0 1 244.342 2.440 20 0 BEADMN CCNc1ccccc1CNCc1cc(C)[nH]n1 ZINC000902259677 584544791 /nfs/dbraw/zinc/54/47/91/584544791.db2.gz LSNMUCXHBFVIBL-UHFFFAOYSA-N 0 1 244.342 2.440 20 0 BEADMN Cc1cc(CSCc2[nH]ncc2C)no1 ZINC000902285320 584547714 /nfs/dbraw/zinc/54/77/14/584547714.db2.gz CRHKXBHTMRVDIH-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN Cc1cn[nH]c1CSC[C@H]1CCCO1 ZINC000902291701 584548795 /nfs/dbraw/zinc/54/87/95/584548795.db2.gz JUOYNZWSUVFCAZ-SECBINFHSA-N 0 1 212.318 2.130 20 0 BEADMN CCn1cnc(CNCCNc2ccccc2)c1 ZINC000902300866 584553849 /nfs/dbraw/zinc/55/38/49/584553849.db2.gz SPZQGISXQQCGCF-UHFFFAOYSA-N 0 1 244.342 2.105 20 0 BEADMN Cc1nc2c(n1C[C@H]1C[C@@]13CCOC3)CCCC2 ZINC000902421859 584592978 /nfs/dbraw/zinc/59/29/78/584592978.db2.gz IWZGAPWTNKVXEU-IUODEOHRSA-N 0 1 246.354 2.497 20 0 BEADMN c1[nH]nnc1CCOC[C@@H]1CC2CCC1CC2 ZINC000902425126 584593684 /nfs/dbraw/zinc/59/36/84/584593684.db2.gz VOIJTSVDKJEETB-MCIGGMRASA-N 0 1 235.331 2.190 20 0 BEADMN CCN1CCN(C(=O)OCCC(C)C)C[C@@H]1C ZINC000859079392 588998470 /nfs/dbraw/zinc/99/84/70/588998470.db2.gz SBBXMOCZAVWZBF-LBPRGKRZSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1cn[nH]c1CSCc1nocc1C ZINC000902439317 584596992 /nfs/dbraw/zinc/59/69/92/584596992.db2.gz YRTRBOKXRSJIKK-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN CNc1ccccc1CNCc1cnn(C)c1C ZINC000902414997 584600620 /nfs/dbraw/zinc/60/06/20/584600620.db2.gz IYAAZUXDYXHILZ-UHFFFAOYSA-N 0 1 244.342 2.060 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902531512 584633546 /nfs/dbraw/zinc/63/35/46/584633546.db2.gz UQDXXQZDESAROI-GFVADAIESA-N 0 1 235.283 2.362 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cn(C)nn1 ZINC000902872103 584684159 /nfs/dbraw/zinc/68/41/59/584684159.db2.gz CPXPEMRETWRSGY-CYZMBNFOSA-N 0 1 248.374 2.435 20 0 BEADMN COC(C)(C)CC[N@H+]1CCC[C@H](F)C1 ZINC000902995086 584708407 /nfs/dbraw/zinc/70/84/07/584708407.db2.gz KUGDFTLSHXZDIZ-JTQLQIEISA-N 0 1 203.301 2.235 20 0 BEADMN FC(F)C1(N[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902981211 584708439 /nfs/dbraw/zinc/70/84/39/584708439.db2.gz JCVWFOSBQFDYBC-LADJIXMOSA-N 0 1 243.297 2.187 20 0 BEADMN Cc1ncsc1CCN1CCC[C@@H](F)C1 ZINC000902992034 584710232 /nfs/dbraw/zinc/71/02/32/584710232.db2.gz FTDBREXAFAQRHZ-SNVBAGLBSA-N 0 1 228.336 2.428 20 0 BEADMN CC1(C)CO[C@H](CN2CCC[C@@H](F)C2)C1 ZINC000902992240 584711157 /nfs/dbraw/zinc/71/11/57/584711157.db2.gz IBQUHTRFLCTIFD-MNOVXSKESA-N 0 1 215.312 2.235 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCC[C@@H](F)C1 ZINC000902995880 584713576 /nfs/dbraw/zinc/71/35/76/584713576.db2.gz OTBLHBREYZZSEN-VXGBXAGGSA-N 0 1 217.328 2.217 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCC[C@H](F)C1 ZINC000902995874 584713864 /nfs/dbraw/zinc/71/38/64/584713864.db2.gz OTBLHBREYZZSEN-NWDGAFQWSA-N 0 1 217.328 2.217 20 0 BEADMN c1cnc(CNC2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000903054298 584723958 /nfs/dbraw/zinc/72/39/58/584723958.db2.gz JFMCXZCCSOOYRB-QWRGUYRKSA-N 0 1 217.316 2.145 20 0 BEADMN Cc1nonc1CNC1C[C@@H]2CCC[C@H]2C1 ZINC000903089728 584725862 /nfs/dbraw/zinc/72/58/62/584725862.db2.gz ZZTHTOHPIKLPPD-UWVGGRQHSA-N 0 1 221.304 2.046 20 0 BEADMN CCCc1ncc(CN[C@H]2CCC[C@@H]2OC)o1 ZINC000903185607 584733764 /nfs/dbraw/zinc/73/37/64/584733764.db2.gz FQUBBMPTOSKKBV-RYUDHWBXSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1ncc[nH]1 ZINC000903254165 584739575 /nfs/dbraw/zinc/73/95/75/584739575.db2.gz TVWHVMAEPPBTQN-WCQGTBRESA-N 0 1 235.331 2.018 20 0 BEADMN c1cnc([C@H](N[C@H]2CCCSC2)C2CC2)nc1 ZINC000903327380 584753390 /nfs/dbraw/zinc/75/33/90/584753390.db2.gz SJAQXKDSOFEJFD-NWDGAFQWSA-N 0 1 249.383 2.413 20 0 BEADMN Cc1nc([C@H](C)NC2CC(CCO)C2)cs1 ZINC000903328474 584753400 /nfs/dbraw/zinc/75/34/00/584753400.db2.gz APFXURYOZKYZIX-PUSIOWJLSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C)c1ccncc1Cl ZINC000903393013 584756116 /nfs/dbraw/zinc/75/61/16/584756116.db2.gz DDMXONMACJHJGD-VDDIYKPWSA-N 0 1 240.734 2.421 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C)c1cccnc1Cl ZINC000903395611 584757079 /nfs/dbraw/zinc/75/70/79/584757079.db2.gz MUDXBLSSVDCJMG-ATZCPNFKSA-N 0 1 240.734 2.421 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000903411113 584759646 /nfs/dbraw/zinc/75/96/46/584759646.db2.gz KETLMQZHUMULIQ-MFKMUULPSA-N 0 1 219.284 2.154 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NC/C=C\Cl ZINC000903443565 584768458 /nfs/dbraw/zinc/76/84/58/584768458.db2.gz IKEFSFVIWOMRKX-NWPZZWLHSA-N 0 1 225.723 2.140 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000903607577 584784295 /nfs/dbraw/zinc/78/42/95/584784295.db2.gz KLXJYOHNGNHLCK-FVCCEPFGSA-N 0 1 237.343 2.384 20 0 BEADMN C=C/C=C\CC[N@@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000903606699 584784598 /nfs/dbraw/zinc/78/45/98/584784598.db2.gz CYLDJJNLAVZCHX-ARJAWSKDSA-N 0 1 221.300 2.200 20 0 BEADMN C=C/C=C/CC[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903608211 584785257 /nfs/dbraw/zinc/78/52/57/584785257.db2.gz HLXUVCGOSQYQLK-ZWNMCFTASA-N 0 1 223.316 2.446 20 0 BEADMN CC[N@@H+](CC[C@@H]1CCCC1(F)F)CC(=O)[O-] ZINC000903596556 584785959 /nfs/dbraw/zinc/78/59/59/584785959.db2.gz QBPZQNHXINJQJH-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000903596459 584786029 /nfs/dbraw/zinc/78/60/29/584786029.db2.gz UXFPXUZHEOMTLA-GXSJLCMTSA-N 0 1 225.288 2.211 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000903597809 584786307 /nfs/dbraw/zinc/78/63/07/584786307.db2.gz PKOHLUGTYGMFQB-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)(CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1 ZINC000903614877 584786914 /nfs/dbraw/zinc/78/69/14/584786914.db2.gz LPOHWWGUCVMOOL-QWRGUYRKSA-N 0 1 243.322 2.310 20 0 BEADMN COCCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620833 584787180 /nfs/dbraw/zinc/78/71/80/584787180.db2.gz FWUBBXWQRYAOFE-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]1C ZINC000903696640 584790146 /nfs/dbraw/zinc/79/01/46/584790146.db2.gz ZIUCMEGUSGAENS-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CC(C)C1 ZINC000903697540 584790237 /nfs/dbraw/zinc/79/02/37/584790237.db2.gz KTDFUOIKMTWLKS-HSOILSAZSA-N 0 1 213.321 2.218 20 0 BEADMN CC[N@@H+](Cc1ccccc1CF)[C@H](C)C(=O)[O-] ZINC000903703207 584790617 /nfs/dbraw/zinc/79/06/17/584790617.db2.gz VHMORPLOCZHLAO-SNVBAGLBSA-N 0 1 239.290 2.451 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000903707555 584791559 /nfs/dbraw/zinc/79/15/59/584791559.db2.gz ZFLGZMGKYLLLPP-RSJDFQLWSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903891931 584813716 /nfs/dbraw/zinc/81/37/16/584813716.db2.gz VLLFPMUPXASEEN-LBELIVKGSA-N 0 1 237.343 2.360 20 0 BEADMN CC(C)[N@@H+](Cc1cncc(C(=O)[O-])c1)C1CC1 ZINC000903889924 584813789 /nfs/dbraw/zinc/81/37/89/584813789.db2.gz SKSBZPIVWSAHSV-UHFFFAOYSA-N 0 1 234.299 2.153 20 0 BEADMN C[C@H]1CC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC000903896231 584819872 /nfs/dbraw/zinc/81/98/72/584819872.db2.gz QKHQLTUMVPTNLX-CIQGVGRVSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1(C)C ZINC000903895280 584820089 /nfs/dbraw/zinc/82/00/89/584820089.db2.gz CWEUHXPOIAYROP-OUAUKWLOSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1 ZINC000903902345 584820389 /nfs/dbraw/zinc/82/03/89/584820389.db2.gz YPWZLCCHGORRLD-KAKVVRBNSA-N 0 1 237.343 2.218 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC2CC(C)C2)C1 ZINC000903903689 584821241 /nfs/dbraw/zinc/82/12/41/584821241.db2.gz FUCSAVLBSPZTGZ-ORHYLEIMSA-N 0 1 239.359 2.465 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)C1 ZINC000903913769 584822637 /nfs/dbraw/zinc/82/26/37/584822637.db2.gz AVQAXSUNCHRNBM-RUJICJSRSA-N 0 1 225.332 2.075 20 0 BEADMN CCCC[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903928082 584824321 /nfs/dbraw/zinc/82/43/21/584824321.db2.gz OFBBEFNEFSZESJ-CYBMUJFWSA-N 0 1 249.310 2.307 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936506 584826188 /nfs/dbraw/zinc/82/61/88/584826188.db2.gz SYEGQKIPAQZVCU-WTQORWENSA-N 0 1 221.300 2.058 20 0 BEADMN C[C@H]1CSCCC[N@H+]1CCCCCC(=O)[O-] ZINC000903956835 584827827 /nfs/dbraw/zinc/82/78/27/584827827.db2.gz IDWWOVITKIXQQD-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN CCC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903948471 584830072 /nfs/dbraw/zinc/83/00/72/584830072.db2.gz FIDXQQHHGUABKB-ZRUFSTJUSA-N 0 1 213.321 2.216 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cnc(N)s1 ZINC000903987818 584835821 /nfs/dbraw/zinc/83/58/21/584835821.db2.gz KIOOERVOWYAQLH-ARJAWSKDSA-N 0 1 231.752 2.346 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)O[C@@H](C)C1CC1 ZINC000904088044 584840925 /nfs/dbraw/zinc/84/09/25/584840925.db2.gz ZSBQVOWRJPBQGG-JQWIXIFHSA-N 0 1 225.332 2.201 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@@H]2CCCO2)no1 ZINC000904095683 584842436 /nfs/dbraw/zinc/84/24/36/584842436.db2.gz AGDCFJKGHSALMJ-UWVGGRQHSA-N 0 1 239.319 2.228 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000828594358 584903737 /nfs/dbraw/zinc/90/37/37/584903737.db2.gz AAURJAUYIQDSKX-OLZOCXBDSA-N 0 1 233.311 2.167 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1cccc(F)c1O ZINC000828944784 584905048 /nfs/dbraw/zinc/90/50/48/584905048.db2.gz MFPHWIRTHATZJV-SNVBAGLBSA-N 0 1 235.258 2.204 20 0 BEADMN c1nc(CNC[C@@H]2COc3ccccc3C2)co1 ZINC000758300890 584905647 /nfs/dbraw/zinc/90/56/47/584905647.db2.gz HEBJKLDOXVEPGS-LLVKDONJSA-N 0 1 244.294 2.016 20 0 BEADMN Cc1ccc(SCc2c[nH]nn2)s1 ZINC000830056232 584908273 /nfs/dbraw/zinc/90/82/73/584908273.db2.gz ACOWLQFTWSXDJT-UHFFFAOYSA-N 0 1 211.315 2.467 20 0 BEADMN O=C(CN1CC[C@H]2C[C@H]21)N(C1CC1)C1CCCC1 ZINC000761089888 584909500 /nfs/dbraw/zinc/90/95/00/584909500.db2.gz SRNUSRKWXHKWPR-SMDDNHRTSA-N 0 1 248.370 2.014 20 0 BEADMN CCN1CCN(C(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC000754197564 584915194 /nfs/dbraw/zinc/91/51/94/584915194.db2.gz NVVDYTRXIGBYRS-QDZRJHCZSA-N 0 1 238.375 2.141 20 0 BEADMN CSCC[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000835814463 584933215 /nfs/dbraw/zinc/93/32/15/584933215.db2.gz ZGJNWWQEZOLYEY-WDEREUQCSA-N 0 1 247.404 2.257 20 0 BEADMN CSCC[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000835814462 584933235 /nfs/dbraw/zinc/93/32/35/584933235.db2.gz ZGJNWWQEZOLYEY-QWRGUYRKSA-N 0 1 247.404 2.257 20 0 BEADMN CCc1nc(COC(=O)[C@@H](C)[C@@H](C)CC)n[nH]1 ZINC000754883809 584933807 /nfs/dbraw/zinc/93/38/07/584933807.db2.gz RCIYGKGGWAYMGR-IUCAKERBSA-N 0 1 239.319 2.093 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(C2CC2)cn1 ZINC000888279148 584936581 /nfs/dbraw/zinc/93/65/81/584936581.db2.gz SPOWIIPEFVWOCV-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CCc1cc(CNC(=O)c2ccccc2C)n[nH]1 ZINC000732787982 584940898 /nfs/dbraw/zinc/94/08/98/584940898.db2.gz CXQKGTZRLZCXEE-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN CCc1cc(CNC(=O)C(CC)CC)n[nH]1 ZINC000732793143 584940943 /nfs/dbraw/zinc/94/09/43/584940943.db2.gz MHPKCEOXFVJUCP-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN Cc1nnc([C@H](C)NCCc2cccc(F)c2)o1 ZINC000732916220 584941783 /nfs/dbraw/zinc/94/17/83/584941783.db2.gz IDOPAVDQKRJBMB-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2cccc(F)c2)o1 ZINC000732916219 584941804 /nfs/dbraw/zinc/94/18/04/584941804.db2.gz IDOPAVDQKRJBMB-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000733289680 584945842 /nfs/dbraw/zinc/94/58/42/584945842.db2.gz NZZSONUFDYBGDM-OLZOCXBDSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](C(C)C)CC1=O ZINC000733295598 584946353 /nfs/dbraw/zinc/94/63/53/584946353.db2.gz AXONBZJRGNZSCX-STQMWFEESA-N 0 1 240.391 2.426 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cccc2c[nH]nc21 ZINC000768895784 584954104 /nfs/dbraw/zinc/95/41/04/584954104.db2.gz MQYIXKYLHMWQOF-VIFPVBQESA-N 0 1 247.298 2.365 20 0 BEADMN Cc1nonc1CN1CCC[C@@H]1C(C)(C)C ZINC000734149013 584957750 /nfs/dbraw/zinc/95/77/50/584957750.db2.gz UDOMLXURDDDLDK-LLVKDONJSA-N 0 1 223.320 2.389 20 0 BEADMN O=C(/C=C\C1CCCCC1)OCCc1c[nH]nn1 ZINC000735071503 584971931 /nfs/dbraw/zinc/97/19/31/584971931.db2.gz CWIBHJQPQJZJSZ-SREVYHEPSA-N 0 1 249.314 2.027 20 0 BEADMN O=C(/C=C\C1CCCCC1)OCCc1cnn[nH]1 ZINC000735071503 584971932 /nfs/dbraw/zinc/97/19/32/584971932.db2.gz CWIBHJQPQJZJSZ-SREVYHEPSA-N 0 1 249.314 2.027 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000736220138 584992379 /nfs/dbraw/zinc/99/23/79/584992379.db2.gz XQNMIDDVNSBTSP-GXSJLCMTSA-N 0 1 237.274 2.088 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)[C@H](C)C2(C)CC2)C1 ZINC000755919146 585001635 /nfs/dbraw/zinc/00/16/35/585001635.db2.gz IDHFBPPDEZBRCI-NEPJUHHUSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc[nH]2)Cc2ccccc21 ZINC000736543583 585005457 /nfs/dbraw/zinc/00/54/57/585005457.db2.gz OEVNRRANKAITJT-SNVBAGLBSA-N 0 1 241.294 2.169 20 0 BEADMN CO[C@H]1CC[C@H](N(C)Cc2nccs2)C1 ZINC000821378982 585016078 /nfs/dbraw/zinc/01/60/78/585016078.db2.gz AAEMFYKUDPVMEC-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1F ZINC000736850749 585017812 /nfs/dbraw/zinc/01/78/12/585017812.db2.gz KECMHAXJZSYSRG-LBPRGKRZSA-N 0 1 239.290 2.163 20 0 BEADMN CCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)[O-])c2C1 ZINC000737030205 585022993 /nfs/dbraw/zinc/02/29/93/585022993.db2.gz MXSWSOAURBZZAI-SNVBAGLBSA-N 0 1 248.326 2.297 20 0 BEADMN COc1ccc(CN2CCCC2)c(F)c1OC ZINC000885909835 585030068 /nfs/dbraw/zinc/03/00/68/585030068.db2.gz ACUAXHZBCRXJKJ-UHFFFAOYSA-N 0 1 239.290 2.439 20 0 BEADMN CC(C)[N@@H+](CCCCC(=O)[O-])C1CCOCC1 ZINC000737636081 585037893 /nfs/dbraw/zinc/03/78/93/585037893.db2.gz IODAROKZYFWEGK-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CCC/C=C\C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000737995790 585040109 /nfs/dbraw/zinc/04/01/09/585040109.db2.gz SZJPRTAVAODRMF-WSROAFLRSA-N 0 1 238.375 2.141 20 0 BEADMN O=C(NC1CCC(C(F)F)CC1)C(F)(F)F ZINC000838102328 585046000 /nfs/dbraw/zinc/04/60/00/585046000.db2.gz OUXXVVJHYHTPBZ-UHFFFAOYSA-N 0 1 245.191 2.489 20 0 BEADMN CC(C(=O)OCc1nc(C(C)C)n[nH]1)=C1CCC1 ZINC000838237581 585049884 /nfs/dbraw/zinc/04/98/84/585049884.db2.gz JBMAPTOCPJCVPT-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CC(C(=O)OCc1n[nH]c(C(C)C)n1)=C1CCC1 ZINC000838237581 585049885 /nfs/dbraw/zinc/04/98/85/585049885.db2.gz JBMAPTOCPJCVPT-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CCn1ncc(CN([C@@H](C)C(C)C)C2CC2)n1 ZINC000838781627 585069556 /nfs/dbraw/zinc/06/95/56/585069556.db2.gz QPHLJIVJGXFUSA-NSHDSACASA-N 0 1 236.363 2.307 20 0 BEADMN CCn1ncc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000838790359 585070403 /nfs/dbraw/zinc/07/04/03/585070403.db2.gz ZMKSAIAPEAJBFA-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN[C@@H](C)CCC(C)C)n1 ZINC000838890306 585078569 /nfs/dbraw/zinc/07/85/69/585078569.db2.gz HFJSJHUNTWRBDP-NSHDSACASA-N 0 1 224.352 2.212 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838897321 585079085 /nfs/dbraw/zinc/07/90/85/585079085.db2.gz LTDYESNJAIJZFY-KOLCDFICSA-N 0 1 237.303 2.064 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838897319 585079088 /nfs/dbraw/zinc/07/90/88/585079088.db2.gz LTDYESNJAIJZFY-GXSJLCMTSA-N 0 1 237.303 2.064 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838901254 585080570 /nfs/dbraw/zinc/08/05/70/585080570.db2.gz WBATZUUWYKPQGG-MWLCHTKSSA-N 0 1 237.303 2.064 20 0 BEADMN CCn1ncc(CNCCCC(C)(C)C)n1 ZINC000838959041 585081078 /nfs/dbraw/zinc/08/10/78/585081078.db2.gz JMMFYTJUUHMMCO-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN COC[C@@H](C)NCc1ccc(C)nc1Cl ZINC000838982666 585084473 /nfs/dbraw/zinc/08/44/73/585084473.db2.gz RLCCEYUJVGFAGP-SECBINFHSA-N 0 1 228.723 2.168 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1cnn(CC)n1 ZINC000839099898 585090794 /nfs/dbraw/zinc/09/07/94/585090794.db2.gz LMCXUSIRLMPJRK-PWSUYJOCSA-N 0 1 222.336 2.061 20 0 BEADMN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCF)C1 ZINC000839104606 585091017 /nfs/dbraw/zinc/09/10/17/585091017.db2.gz LEJNXVDBVXXIJS-LBPRGKRZSA-N 0 1 231.311 2.010 20 0 BEADMN FC1CC2(C1)CN(Cc1ccc3c[nH]nc3c1)C2 ZINC000839140375 585094659 /nfs/dbraw/zinc/09/46/59/585094659.db2.gz QAHAIANLWCIFKY-UHFFFAOYSA-N 0 1 245.301 2.497 20 0 BEADMN CCONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000839474661 585105232 /nfs/dbraw/zinc/10/52/32/585105232.db2.gz APXVAVGPPXFOIA-NSHDSACASA-N 0 1 249.310 2.399 20 0 BEADMN C[C@@H]1C[C@H](C)N(CC(=O)OCc2ccccc2)C1 ZINC000740884265 585107915 /nfs/dbraw/zinc/10/79/15/585107915.db2.gz SWYQAJACCCLJFT-OLZOCXBDSA-N 0 1 247.338 2.460 20 0 BEADMN C[C@H]1C[C@H](C)N(CC(=O)OCc2ccccc2)C1 ZINC000740884267 585108013 /nfs/dbraw/zinc/10/80/13/585108013.db2.gz SWYQAJACCCLJFT-STQMWFEESA-N 0 1 247.338 2.460 20 0 BEADMN CCCCOC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741011301 585109186 /nfs/dbraw/zinc/10/91/86/585109186.db2.gz OBDGCWVDVVTCNS-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCOC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741011303 585109217 /nfs/dbraw/zinc/10/92/17/585109217.db2.gz OBDGCWVDVVTCNS-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C(=O)O[C@@H](C)CC)N(CC)CC ZINC000741031966 585109304 /nfs/dbraw/zinc/10/93/04/585109304.db2.gz BZKAFEHJHUJYPG-WDEREUQCSA-N 0 1 215.337 2.449 20 0 BEADMN CC(C)COC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000741018991 585109657 /nfs/dbraw/zinc/10/96/57/585109657.db2.gz VQLYMTKNEFXJBP-TUAOUCFPSA-N 0 1 227.348 2.447 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)CC(C)(C)C ZINC000741778534 585118127 /nfs/dbraw/zinc/11/81/27/585118127.db2.gz JLDINUMEWHQWRC-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)C[C@H]1C ZINC000741795626 585119743 /nfs/dbraw/zinc/11/97/43/585119743.db2.gz POWPDZNRLNLJBP-MXWKQRLJSA-N 0 1 213.321 2.058 20 0 BEADMN CC(=CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000742178993 585122563 /nfs/dbraw/zinc/12/25/63/585122563.db2.gz PSVNSIGUOSTRLS-YRNVUSSQSA-N 0 1 241.294 2.129 20 0 BEADMN COC[C@@H](NCc1coc(C2CC2)n1)C(C)C ZINC000742374214 585125177 /nfs/dbraw/zinc/12/51/77/585125177.db2.gz QTHLWFDBJPWGRI-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN Oc1ccc(Cl)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886348516 585133844 /nfs/dbraw/zinc/13/38/44/585133844.db2.gz NRSRZDLMKAYPJN-DTORHVGOSA-N 0 1 223.703 2.497 20 0 BEADMN CC1(C)CCCN(CN2C(=O)CC23CCC3)C1 ZINC000743367005 585135885 /nfs/dbraw/zinc/13/58/85/585135885.db2.gz QUGWFWIKSAEUJV-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN Cc1nonc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000744406746 585150077 /nfs/dbraw/zinc/15/00/77/585150077.db2.gz OSYHQOHNTAXCSW-PWSUYJOCSA-N 0 1 221.304 2.143 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN2CC[C@H](C)C2)C1 ZINC000744433377 585150408 /nfs/dbraw/zinc/15/04/08/585150408.db2.gz HWRSNNMVGRECQV-STQMWFEESA-N 0 1 238.375 2.180 20 0 BEADMN O[C@@H](c1ccccc1)C1CCN(CCF)CC1 ZINC000746498974 585168814 /nfs/dbraw/zinc/16/88/14/585168814.db2.gz AQEFFKPOBZPJQM-AWEZNQCLSA-N 0 1 237.318 2.402 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN(C)CCC2CC2)C1 ZINC000746638390 585171327 /nfs/dbraw/zinc/17/13/27/585171327.db2.gz WFYYZMQHIXKBTM-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN CCCC(N)=NOCCc1scnc1C ZINC000748098168 585187012 /nfs/dbraw/zinc/18/70/12/585187012.db2.gz WTLLREQASUKZLS-UHFFFAOYSA-N 0 1 227.333 2.293 20 0 BEADMN CCCCC[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000748522228 585193799 /nfs/dbraw/zinc/19/37/99/585193799.db2.gz HHIJRDGYBIOWPU-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749153436 585200099 /nfs/dbraw/zinc/20/00/99/585200099.db2.gz DYXQANOADRSHEZ-UHFFFAOYSA-N 0 1 224.279 2.236 20 0 BEADMN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CCF ZINC000749459343 585202422 /nfs/dbraw/zinc/20/24/22/585202422.db2.gz DBOFOFFHCIFNEO-GWCFXTLKSA-N 0 1 223.291 2.280 20 0 BEADMN CC(C)S(=O)(=O)CCN1CCCCC[C@@H]1C ZINC000749796555 585206268 /nfs/dbraw/zinc/20/62/68/585206268.db2.gz MRTAWRCKXADUEC-LBPRGKRZSA-N 0 1 247.404 2.074 20 0 BEADMN c1n[nH]cc1CNCc1cc2ccccc2[nH]1 ZINC000749915963 585208379 /nfs/dbraw/zinc/20/83/79/585208379.db2.gz RXFGNABNPMNBCY-UHFFFAOYSA-N 0 1 226.283 2.181 20 0 BEADMN CN(CC1CC1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749937207 585208494 /nfs/dbraw/zinc/20/84/94/585208494.db2.gz BOUUFWDRTJYOEV-OLZOCXBDSA-N 0 1 236.359 2.077 20 0 BEADMN CN(CC1CC1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749937208 585208567 /nfs/dbraw/zinc/20/85/67/585208567.db2.gz BOUUFWDRTJYOEV-QWHCGFSZSA-N 0 1 236.359 2.077 20 0 BEADMN CC(C)=C(C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000751386139 585228910 /nfs/dbraw/zinc/22/89/10/585228910.db2.gz JFPMBZNVKFFSHQ-ZDUSSCGKSA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000751386139 585228911 /nfs/dbraw/zinc/22/89/11/585228911.db2.gz JFPMBZNVKFFSHQ-ZDUSSCGKSA-N 0 1 238.375 2.141 20 0 BEADMN COc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC000752206882 585243545 /nfs/dbraw/zinc/24/35/45/585243545.db2.gz OWPWYXHAQUUFAG-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN CCCCC[C@H](C)CC(=O)NCCN1CCC1 ZINC000752301329 585244748 /nfs/dbraw/zinc/24/47/48/585244748.db2.gz UXFWZKYRICNKJN-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCc1cc(CNC(=O)C(C)=C2CCCC2)n[nH]1 ZINC000753606070 585263623 /nfs/dbraw/zinc/26/36/23/585263623.db2.gz LUMHWJXGGLNBSV-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CCc1cc(CNC(=O)/C=C2/CC[C@@H](C)C2)n[nH]1 ZINC000753609846 585263943 /nfs/dbraw/zinc/26/39/43/585263943.db2.gz UZKZXFPXADFRPQ-PAKSIRSJSA-N 0 1 247.342 2.335 20 0 BEADMN Cc1c(Cl)cnn1CN1C[C@H](C)[C@H](C)C1 ZINC000753795729 585269512 /nfs/dbraw/zinc/26/95/12/585269512.db2.gz YTJUHYFOBBRQCY-DTORHVGOSA-N 0 1 227.739 2.390 20 0 BEADMN CCC(=CC(=O)N1CCN(CC)[C@@H](C)C1)CC ZINC000754191448 585279839 /nfs/dbraw/zinc/27/98/39/585279839.db2.gz BUAVJNWLRSVVCC-LBPRGKRZSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](CO)NCc1cc(-c2ccccc2)on1 ZINC000754245937 585281080 /nfs/dbraw/zinc/28/10/80/585281080.db2.gz GUKNQEROIPFUAF-GFCCVEGCSA-N 0 1 246.310 2.202 20 0 BEADMN CCc1nc(COC(=O)CC(C)(C)CC)n[nH]1 ZINC000754836229 585291610 /nfs/dbraw/zinc/29/16/10/585291610.db2.gz QYLWERUHBYKYPX-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN CCc1nc(COC(=O)[C@H](C)[C@@H](C)CC)n[nH]1 ZINC000754883806 585291941 /nfs/dbraw/zinc/29/19/41/585291941.db2.gz RCIYGKGGWAYMGR-DTWKUNHWSA-N 0 1 239.319 2.093 20 0 BEADMN CC(C)[C@@H]1CCN(Cn2cc[nH]c2=S)C1 ZINC000755924026 585310549 /nfs/dbraw/zinc/31/05/49/585310549.db2.gz MWNFEZPLAZUUMP-SNVBAGLBSA-N 0 1 225.361 2.107 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(CC)C2CCC2)C1 ZINC000755920229 585310622 /nfs/dbraw/zinc/31/06/22/585310622.db2.gz DEHNFDWAODSLFK-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@H]1CC(=O)N(CN(CC)C2CCC2)C1 ZINC000755920235 585310846 /nfs/dbraw/zinc/31/08/46/585310846.db2.gz DEHNFDWAODSLFK-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN CCC/C(C)=C/C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000756151486 585315188 /nfs/dbraw/zinc/31/51/88/585315188.db2.gz XZGBXEADPUPMKG-NALFIARHSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C=C/CCOC(=O)Cc1cc(C)[nH]n1 ZINC000756247068 585316384 /nfs/dbraw/zinc/31/63/84/585316384.db2.gz AMFMDGXWYXYQKW-SNAWJCMRSA-N 0 1 222.288 2.160 20 0 BEADMN Cc1ccnc(CN2CCC[C@H]2C2CC2)n1 ZINC000756507626 585320420 /nfs/dbraw/zinc/32/04/20/585320420.db2.gz FMRVHOYBCLMKPP-LBPRGKRZSA-N 0 1 217.316 2.159 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000839675246 585336909 /nfs/dbraw/zinc/33/69/09/585336909.db2.gz GGKMCZNQJIVDPM-ZDUSSCGKSA-N 0 1 239.359 2.452 20 0 BEADMN CC[C@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757880439 585346480 /nfs/dbraw/zinc/34/64/80/585346480.db2.gz JLMCUBIPMZMPDL-DTWKUNHWSA-N 0 1 222.288 2.171 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757877419 585346491 /nfs/dbraw/zinc/34/64/91/585346491.db2.gz LFUQGZINYWECQN-OPRDCNLKSA-N 0 1 234.299 2.029 20 0 BEADMN O=C(OC/C=C/Cl)[C@@H]1CCCc2[nH]ncc21 ZINC000758136564 585350653 /nfs/dbraw/zinc/35/06/53/585350653.db2.gz METKOLQMTFFYTP-IBDUZEINSA-N 0 1 240.690 2.125 20 0 BEADMN CC[C@@H](C)COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758138360 585350661 /nfs/dbraw/zinc/35/06/61/585350661.db2.gz NQLTXVBZQHWDNP-ZJUUUORDSA-N 0 1 236.315 2.419 20 0 BEADMN Cc1cnc(=S)n(CN2CC[C@@H](C)C2)c1 ZINC000758320857 585353737 /nfs/dbraw/zinc/35/37/37/585353737.db2.gz WXKYWYUYGAIMQQ-SECBINFHSA-N 0 1 223.345 2.220 20 0 BEADMN CCC(=CC(=O)N1CCN(C(C)C)CC1)CC ZINC000759133561 585364428 /nfs/dbraw/zinc/36/44/28/585364428.db2.gz COOKNWRJXCUZBA-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN CCCN1CCN(C(=O)C=C(CC)CC)CC1 ZINC000759185276 585365014 /nfs/dbraw/zinc/36/50/14/585365014.db2.gz WFJOPJCLOIYDEI-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000759210496 585365835 /nfs/dbraw/zinc/36/58/35/585365835.db2.gz QNNNKSGVTVOSLV-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@H](C)C1 ZINC000759320429 585367126 /nfs/dbraw/zinc/36/71/26/585367126.db2.gz HBFUYEGKDZEZNR-OLZOCXBDSA-N 0 1 229.364 2.038 20 0 BEADMN COCCN(CCF)CCc1ccccc1 ZINC000759330078 585367722 /nfs/dbraw/zinc/36/77/22/585367722.db2.gz BIKHVQABEAEZJI-UHFFFAOYSA-N 0 1 225.307 2.147 20 0 BEADMN FCCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000759346622 585370097 /nfs/dbraw/zinc/37/00/97/585370097.db2.gz NKPFVGDNJPUOMC-CYBMUJFWSA-N 0 1 245.338 2.006 20 0 BEADMN CN(CCF)CCN(C)c1ccccc1 ZINC000759347242 585370127 /nfs/dbraw/zinc/37/01/27/585370127.db2.gz LTOMAYWEINWCKM-UHFFFAOYSA-N 0 1 210.296 2.024 20 0 BEADMN CCCN(CCF)C[C@@H]1CCCCO1 ZINC000759348973 585370540 /nfs/dbraw/zinc/37/05/40/585370540.db2.gz WQSBWBGDCGWFLC-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN CC(C)(C)OC1CCN(CCF)CC1 ZINC000759380896 585371869 /nfs/dbraw/zinc/37/18/69/585371869.db2.gz QBPUHDWBQGSUPW-UHFFFAOYSA-N 0 1 203.301 2.235 20 0 BEADMN O=C(NCc1cnc[nH]1)c1cc(Cl)cs1 ZINC000760350151 585391088 /nfs/dbraw/zinc/39/10/88/585391088.db2.gz AOGVHXBINLPPDM-UHFFFAOYSA-N 0 1 241.703 2.055 20 0 BEADMN CCN(CCC1CC1)CN1CCSC1=S ZINC000760537166 585393928 /nfs/dbraw/zinc/39/39/28/585393928.db2.gz CDDCGLPQCYRFQI-UHFFFAOYSA-N 0 1 244.429 2.400 20 0 BEADMN CN(C)c1cccc(CN(C)CCF)c1 ZINC000760868400 585400726 /nfs/dbraw/zinc/40/07/26/585400726.db2.gz OEDMEKRQQKEEPD-UHFFFAOYSA-N 0 1 210.296 2.154 20 0 BEADMN CCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC000760931924 585401933 /nfs/dbraw/zinc/40/19/33/585401933.db2.gz GHCCEHMEVUPFFJ-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN FC(F)(F)[C@H]1CCN(Cc2cccnc2)C1 ZINC000761042218 585404343 /nfs/dbraw/zinc/40/43/43/585404343.db2.gz OBVWNZGSPAQOAI-JTQLQIEISA-N 0 1 230.233 2.466 20 0 BEADMN Cc1cnc(CN2CCC3(CC3)CC2)cn1 ZINC000761062752 585405016 /nfs/dbraw/zinc/40/50/16/585405016.db2.gz ONLRXWHDKNQPPS-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN Cc1ccccc1C[N@H+]1CCN(C)[C@H](C)C1 ZINC000761078373 585406520 /nfs/dbraw/zinc/40/65/20/585406520.db2.gz WSRWNNQYZKIMAH-CYBMUJFWSA-N 0 1 218.344 2.131 20 0 BEADMN O=C(CN1CC[C@H]2C[C@H]21)NCCC1=CCCCC1 ZINC000761093526 585408585 /nfs/dbraw/zinc/40/85/85/585408585.db2.gz OFJVSVFCDHMRPW-UONOGXRCSA-N 0 1 248.370 2.087 20 0 BEADMN O[C@H](CN1CC[C@H]2C[C@H]21)c1c(F)cccc1F ZINC000761101686 585409407 /nfs/dbraw/zinc/40/94/07/585409407.db2.gz YBVJELRZHZWUIV-XXILOJSOSA-N 0 1 239.265 2.092 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]3C[C@H]32)c(F)c1 ZINC000761100481 585409543 /nfs/dbraw/zinc/40/95/43/585409543.db2.gz XVWOXDLCNWLDSU-TVQRCGJNSA-N 0 1 249.285 2.207 20 0 BEADMN Cc1cc(=O)[n-]c(C[NH+]2[C@H](C)CCC[C@H]2C)n1 ZINC000761876960 585421854 /nfs/dbraw/zinc/42/18/54/585421854.db2.gz PYXNECAOKWIIDE-GHMZBOCLSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cc(=O)[nH]c(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000761876960 585421855 /nfs/dbraw/zinc/42/18/55/585421855.db2.gz PYXNECAOKWIIDE-GHMZBOCLSA-N 0 1 235.331 2.254 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@@H](C2CC2)CC1=O ZINC000762498525 585433494 /nfs/dbraw/zinc/43/34/94/585433494.db2.gz WKAHUEIJLYLWLX-YPMHNXCESA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc(COC(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC000762585753 585433973 /nfs/dbraw/zinc/43/39/73/585433973.db2.gz BVTMPLNMTOBPNQ-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN C/C(=C\C(=O)N1CCN(C)[C@@H](C)C1)C(C)(C)C ZINC000762815335 585437872 /nfs/dbraw/zinc/43/78/72/585437872.db2.gz XKQWTHMBOZYLFH-ZKQHCESOSA-N 0 1 238.375 2.141 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000764488542 585466403 /nfs/dbraw/zinc/46/64/03/585466403.db2.gz VTMXHWYRWGJNBU-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CCC[C@@H](C(=O)OCc1n[nH]c(C)n1)C(C)C ZINC000764687710 585470873 /nfs/dbraw/zinc/47/08/73/585470873.db2.gz YVJOMSCRBOEWKV-SNVBAGLBSA-N 0 1 239.319 2.229 20 0 BEADMN COc1ccc(CNCc2cc(C)n[nH]2)c(C)c1 ZINC000765271562 585483306 /nfs/dbraw/zinc/48/33/06/585483306.db2.gz ONKQKSDOQPVBSU-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC[C@H](C(=O)OCc1ccoc1)N(CC)CC ZINC000765967567 585494902 /nfs/dbraw/zinc/49/49/02/585494902.db2.gz SMQVJCWHBCCQHM-GFCCVEGCSA-N 0 1 239.315 2.443 20 0 BEADMN CC1(C)C[N@@H+](CCC(=O)C2CC2)CCS1 ZINC000767414143 585519420 /nfs/dbraw/zinc/51/94/20/585519420.db2.gz GFSGGYAAELMJRN-UHFFFAOYSA-N 0 1 227.373 2.183 20 0 BEADMN CC1(C)CN([C@@H]2CCOC2=O)CC(C)(C)C1 ZINC000767914585 585528068 /nfs/dbraw/zinc/52/80/68/585528068.db2.gz ASFZMAWBYBEBEE-SNVBAGLBSA-N 0 1 225.332 2.060 20 0 BEADMN CC[N@H+](CC(=O)NC)C/C(C)=C/c1ccccc1 ZINC000768301669 585535389 /nfs/dbraw/zinc/53/53/89/585535389.db2.gz GZNCRHZNIKZGKS-JLHYYAGUSA-N 0 1 246.354 2.158 20 0 BEADMN CCN(CC(=O)NC)C/C(C)=C/c1ccccc1 ZINC000768301669 585535390 /nfs/dbraw/zinc/53/53/90/585535390.db2.gz GZNCRHZNIKZGKS-JLHYYAGUSA-N 0 1 246.354 2.158 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1ccc(O)c(F)c1 ZINC000768722577 585542360 /nfs/dbraw/zinc/54/23/60/585542360.db2.gz XQYMFEUWTGAZHU-QMMMGPOBSA-N 0 1 241.262 2.333 20 0 BEADMN Cn1ccc(CN2CCC3(CCCC3)C2)n1 ZINC000769402601 585555607 /nfs/dbraw/zinc/55/56/07/585555607.db2.gz MTFJNTHPLJLOBC-UHFFFAOYSA-N 0 1 219.332 2.186 20 0 BEADMN Cc1cccc(NCCNCc2nccs2)n1 ZINC000769401423 585555756 /nfs/dbraw/zinc/55/57/56/585555756.db2.gz SXEHOZRTNODIAL-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN CCCCCCC(=O)OCc1n[nH]c(C)n1 ZINC000770636799 585578384 /nfs/dbraw/zinc/57/83/84/585578384.db2.gz NWBQKZDYERVDEW-UHFFFAOYSA-N 0 1 225.292 2.127 20 0 BEADMN CCCC1(C(=O)OCc2n[nH]c(C)n2)CCC1 ZINC000770640748 585578798 /nfs/dbraw/zinc/57/87/98/585578798.db2.gz UPZKNJPRYLPLSM-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cccnc2)n[nH]1 ZINC000771387282 585593432 /nfs/dbraw/zinc/59/34/32/585593432.db2.gz CGMDGSHGMUKTEK-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cccnc2)[nH]n1 ZINC000771387282 585593433 /nfs/dbraw/zinc/59/34/33/585593433.db2.gz CGMDGSHGMUKTEK-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN CCC(=CC(=O)N1CCN(C)[C@H](C)[C@H]1C)CC ZINC000771402057 585593622 /nfs/dbraw/zinc/59/36/22/585593622.db2.gz FORWQCNGSVKYGV-VXGBXAGGSA-N 0 1 238.375 2.284 20 0 BEADMN CC(=O)CCN(Cc1ccccn1)C(C)C ZINC000771790987 585600041 /nfs/dbraw/zinc/60/00/41/585600041.db2.gz KSPIYPGJONJWOJ-UHFFFAOYSA-N 0 1 220.316 2.271 20 0 BEADMN C[C@@H](CCO)N(CCF)Cc1ccccc1 ZINC000772387442 585613757 /nfs/dbraw/zinc/61/37/57/585613757.db2.gz JCKTZUNZJPGATE-LBPRGKRZSA-N 0 1 225.307 2.229 20 0 BEADMN CCc1noc(C)c1[C@H](C)NCCn1cccn1 ZINC000772950506 585628093 /nfs/dbraw/zinc/62/80/93/585628093.db2.gz JKYWTFNJBCTAPM-JTQLQIEISA-N 0 1 248.330 2.093 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773124321 585631917 /nfs/dbraw/zinc/63/19/17/585631917.db2.gz XKPWZKYXFNFEMI-MWLCHTKSSA-N 0 1 232.331 2.468 20 0 BEADMN C[C@@H](NCc1ccc(O)c(F)c1)c1ccnn1C ZINC000774199851 585653678 /nfs/dbraw/zinc/65/36/78/585653678.db2.gz GOQSHOXCIVLMDF-SECBINFHSA-N 0 1 249.289 2.116 20 0 BEADMN CCC(N)=NOCc1nc(C)c2ccccc2n1 ZINC000774813217 585666487 /nfs/dbraw/zinc/66/64/87/585666487.db2.gz CSZFAAILCRAPEB-UHFFFAOYSA-N 0 1 244.298 2.347 20 0 BEADMN c1nc2c(s1)CN(C[C@H]1CCC=CO1)CC2 ZINC000775097723 585672399 /nfs/dbraw/zinc/67/23/99/585672399.db2.gz LMRGEHCSQXIUFS-SNVBAGLBSA-N 0 1 236.340 2.194 20 0 BEADMN Cc1cccc(CN2CCOCC[C@H]2C)n1 ZINC000775566143 585679961 /nfs/dbraw/zinc/67/99/61/585679961.db2.gz JMRGTTXRCUZCNL-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ncc(CN2CCOCC[C@H]2C)s1 ZINC000775569561 585680366 /nfs/dbraw/zinc/68/03/66/585680366.db2.gz YGCJEXDBLSHEPK-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782188 585684516 /nfs/dbraw/zinc/68/45/16/585684516.db2.gz CZNNOIROYYOAGV-MWLCHTKSSA-N 0 1 235.331 2.111 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nc(C)cc(=O)[n-]1 ZINC000775782188 585684517 /nfs/dbraw/zinc/68/45/17/585684517.db2.gz CZNNOIROYYOAGV-MWLCHTKSSA-N 0 1 235.331 2.111 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)n[nH]1 ZINC000775847523 585686335 /nfs/dbraw/zinc/68/63/35/585686335.db2.gz DZZMYQODYWBAFT-JSGCOSHPSA-N 0 1 249.358 2.271 20 0 BEADMN C[C@@H]1[C@H](C)N(Cc2coc(C3CC3)n2)CCN1C ZINC000775984342 585688721 /nfs/dbraw/zinc/68/87/21/585688721.db2.gz FMSSHKOJDPUXIC-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN COc1ccc(CN2CCC2(C)C)nc1 ZINC000775985655 585688732 /nfs/dbraw/zinc/68/87/32/585688732.db2.gz DQJBGOBRURMMSO-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CC(C)COC(=O)CN(C)[C@H](C)C(C)C ZINC000776575693 585700912 /nfs/dbraw/zinc/70/09/12/585700912.db2.gz VRHSKCIZZZIXNG-LLVKDONJSA-N 0 1 215.337 2.162 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000776578576 585701052 /nfs/dbraw/zinc/70/10/52/585701052.db2.gz GNYQTCAWTFEPSK-TXEJJXNPSA-N 0 1 227.348 2.164 20 0 BEADMN Cc1ccccc1CN(Cn1cnnc1)C1CC1 ZINC000776758028 585704122 /nfs/dbraw/zinc/70/41/22/585704122.db2.gz FQBCMBUQHBGXQZ-UHFFFAOYSA-N 0 1 242.326 2.209 20 0 BEADMN CC[C@@H]1c2ccccc2CCN1Cn1cnnc1 ZINC000776760892 585704521 /nfs/dbraw/zinc/70/45/21/585704521.db2.gz XOZAYPAKFNLNBD-CQSZACIVSA-N 0 1 242.326 2.245 20 0 BEADMN COCC[C@@H](C)Nc1ccc(C)nc1N(C)C ZINC000777274115 585710127 /nfs/dbraw/zinc/71/01/27/585710127.db2.gz FOWGALQHXZWXAD-LLVKDONJSA-N 0 1 237.347 2.293 20 0 BEADMN CN(CC1OCCO1)[C@@H]1CCCc2ccccc21 ZINC000777534985 585714241 /nfs/dbraw/zinc/71/42/41/585714241.db2.gz HTCVWJDXPOPHDX-CQSZACIVSA-N 0 1 247.338 2.369 20 0 BEADMN C[N@H+](Cc1ccc(CF)cc1)C[C@H](O)C1CC1 ZINC000777600463 585717009 /nfs/dbraw/zinc/71/70/09/585717009.db2.gz ZTNRKBGXWYRNJN-AWEZNQCLSA-N 0 1 237.318 2.359 20 0 BEADMN CC(C)=CC(=O)Nc1cc(C(C)=O)ccc1O ZINC000777836436 585720675 /nfs/dbraw/zinc/72/06/75/585720675.db2.gz QRWODLGLVCEUND-UHFFFAOYSA-N 0 1 233.267 2.500 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(Cl)nc2)C1 ZINC000778400836 585733727 /nfs/dbraw/zinc/73/37/27/585733727.db2.gz YOXPMIQTUGTRBH-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H]1CC[C@](CO)(N(C)Cc2cscn2)C1 ZINC000778426802 585734697 /nfs/dbraw/zinc/73/46/97/585734697.db2.gz BUHYZDIJMLYXNA-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN CC[C@H](C(=O)OC[C@H]1C[C@H]1C)N(CC)CC ZINC000778618367 585738177 /nfs/dbraw/zinc/73/81/77/585738177.db2.gz SBCKQELLJGPJPO-IJLUTSLNSA-N 0 1 227.348 2.306 20 0 BEADMN O[C@H](CN1CC=CCC1)c1ccccc1F ZINC000778969296 585743270 /nfs/dbraw/zinc/74/32/70/585743270.db2.gz JJIABXYNRWQKKG-CYBMUJFWSA-N 0 1 221.275 2.121 20 0 BEADMN CO[C@H](C)CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000779289662 585750291 /nfs/dbraw/zinc/75/02/91/585750291.db2.gz MNVIALJOQUEHSQ-RXMQYKEDSA-N 0 1 247.245 2.019 20 0 BEADMN C[C@H](CCO)NCc1cc(-c2ccccc2)on1 ZINC000779401854 585753279 /nfs/dbraw/zinc/75/32/79/585753279.db2.gz ZGMUXJKBFTZHIP-LLVKDONJSA-N 0 1 246.310 2.202 20 0 BEADMN Cc1nc2c(s1)[C@H](NCc1cn[nH]c1)CCC2 ZINC000779987786 585771444 /nfs/dbraw/zinc/77/14/44/585771444.db2.gz GQKBJBPFJIIMHM-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccc[nH]2)cn1 ZINC000780538928 585780238 /nfs/dbraw/zinc/78/02/38/585780238.db2.gz PSFWDJRXTVWLEX-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCc1cn[nH]c1C ZINC000780906371 585785995 /nfs/dbraw/zinc/78/59/95/585785995.db2.gz LMFMRYZGXGNLHB-CMDGGOBGSA-N 0 1 221.304 2.081 20 0 BEADMN OC[C@]12C[C@H]1CN(Cc1ccccc1Cl)C2 ZINC000782607951 585821603 /nfs/dbraw/zinc/82/16/03/585821603.db2.gz WSNSHGBOFFOIBZ-WCQYABFASA-N 0 1 237.730 2.154 20 0 BEADMN NC(CN1CCCCCC1)=NOCCC1CC1 ZINC000783558032 585836732 /nfs/dbraw/zinc/83/67/32/585836732.db2.gz FEKGIDUXRFGESN-UHFFFAOYSA-N 0 1 239.363 2.161 20 0 BEADMN C[C@H]1CN(Cn2cc[nH]c2=S)CC(C)(C)C1 ZINC000784011032 585846650 /nfs/dbraw/zinc/84/66/50/585846650.db2.gz XECPOFCMHSQJJA-SNVBAGLBSA-N 0 1 239.388 2.497 20 0 BEADMN C[C@H]1CN(CN2CCSC2=O)CC(C)(C)C1 ZINC000784009597 585846711 /nfs/dbraw/zinc/84/67/11/585846711.db2.gz RPLDOFXZVODYSM-SNVBAGLBSA-N 0 1 242.388 2.481 20 0 BEADMN Cc1nonc1CN(C)C[C@H]1CC=CCC1 ZINC000784389642 585858051 /nfs/dbraw/zinc/85/80/51/585858051.db2.gz DWSHHRJRGBSKEW-NSHDSACASA-N 0 1 221.304 2.166 20 0 BEADMN COC[C@H](C)OC(=O)c1c(C)n[nH]c1C(C)C ZINC000784879730 585867445 /nfs/dbraw/zinc/86/74/45/585867445.db2.gz MEXRMXXKKRCUCQ-QMMMGPOBSA-N 0 1 240.303 2.033 20 0 BEADMN CC(C)C1(O)CN([C@@H]2CCc3ccccc32)C1 ZINC000785833640 585881249 /nfs/dbraw/zinc/88/12/49/585881249.db2.gz XFUBURBQXCXVJU-CQSZACIVSA-N 0 1 231.339 2.377 20 0 BEADMN O=C(NCCC1CCC1)c1ccc2cncn2c1 ZINC000786321028 585889704 /nfs/dbraw/zinc/88/97/04/585889704.db2.gz LTQNKLRVVJXHJO-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CCOCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000786343456 585890087 /nfs/dbraw/zinc/89/00/87/585890087.db2.gz LDSPOPGLMYBZQI-UHFFFAOYSA-N 0 1 240.303 2.035 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OCCCF ZINC000786345445 585890207 /nfs/dbraw/zinc/89/02/07/585890207.db2.gz WNQNOSWVDJYEOA-UHFFFAOYSA-N 0 1 228.267 2.358 20 0 BEADMN CO[C@H]1CN(Cc2ccnc(F)c2)CC[C@@H]1C ZINC000859270953 589026471 /nfs/dbraw/zinc/02/64/71/589026471.db2.gz ZFZIOAZPSARTLK-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN CC(C)(C)C[C@H]1CC(=O)N(CN2CCCC2)C1 ZINC000787205391 585903223 /nfs/dbraw/zinc/90/32/23/585903223.db2.gz JRIHNKFDJQQCHC-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN FC(F)COCCN1CC[C@@H](C(F)(F)F)C1 ZINC000787271978 585904180 /nfs/dbraw/zinc/90/41/80/585904180.db2.gz PFHGQJUBIHGCTJ-SSDOTTSWSA-N 0 1 247.207 2.152 20 0 BEADMN O=C(Nc1cc(F)cc(Cl)c1O)C(F)F ZINC000787531439 585911107 /nfs/dbraw/zinc/91/11/07/585911107.db2.gz UDFYRNAXQDGZRS-UHFFFAOYSA-N 0 1 239.580 2.388 20 0 BEADMN CC[C@H](C)[C@@H](NC(=O)C(F)F)C(F)(F)F ZINC000787582750 585912434 /nfs/dbraw/zinc/91/24/34/585912434.db2.gz VJAPKLGJKVUQAF-CRCLSJGQSA-N 0 1 233.180 2.345 20 0 BEADMN CC[C@@H](C)[C@@H](NC(=O)C(F)F)C(F)(F)F ZINC000787582751 585912464 /nfs/dbraw/zinc/91/24/64/585912464.db2.gz VJAPKLGJKVUQAF-RFZPGFLSSA-N 0 1 233.180 2.345 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(C2CCC2)CC1 ZINC000788860658 585931496 /nfs/dbraw/zinc/93/14/96/585931496.db2.gz GCHZZMQUDMZNQZ-KGVSQERTSA-N 0 1 236.359 2.039 20 0 BEADMN C/C=C(\CC)C(=O)NCCN1CC=C(C)CC1 ZINC000788959817 585932285 /nfs/dbraw/zinc/93/22/85/585932285.db2.gz GHHMGPYMMSUJSO-YIXHJXPBSA-N 0 1 236.359 2.111 20 0 BEADMN CC(C)[C@@H](C(=O)OCCc1ccccc1)N(C)C ZINC000789800066 585950339 /nfs/dbraw/zinc/95/03/39/585950339.db2.gz FJQZLRGFEXTANL-AWEZNQCLSA-N 0 1 249.354 2.359 20 0 BEADMN CCCc1ccc(C(=O)Nc2c[nH]nn2)cc1 ZINC000789925933 585953435 /nfs/dbraw/zinc/95/34/35/585953435.db2.gz MWLJNCCNAXDEMN-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000789927066 585953905 /nfs/dbraw/zinc/95/39/05/585953905.db2.gz OWXCNFVJRJMFHG-OUAUKWLOSA-N 0 1 248.330 2.350 20 0 BEADMN CCCC[C@H](CC)CC(=O)Nc1c[nH]nn1 ZINC000789929454 585954144 /nfs/dbraw/zinc/95/41/44/585954144.db2.gz XZCKFMSUUFPHBL-VIFPVBQESA-N 0 1 224.308 2.350 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccc(F)cc1F ZINC000791575499 585984866 /nfs/dbraw/zinc/98/48/66/585984866.db2.gz WQPUWBIWYCEOTL-RWEMILLDSA-N 0 1 241.281 2.481 20 0 BEADMN c1cnc(CN2CCCCCCC2)nc1 ZINC000792198364 585997453 /nfs/dbraw/zinc/99/74/53/585997453.db2.gz CLGSBVNPQPUNJQ-UHFFFAOYSA-N 0 1 205.305 2.243 20 0 BEADMN CC[C@H](C)OC(=O)c1ccc2cncn2c1 ZINC000792549842 586002569 /nfs/dbraw/zinc/00/25/69/586002569.db2.gz GWGKTCYKVVKHOH-VIFPVBQESA-N 0 1 218.256 2.290 20 0 BEADMN O=C(OC1CCC1)c1ccc2cncn2c1 ZINC000793159927 586012208 /nfs/dbraw/zinc/01/22/08/586012208.db2.gz DTZKEBFRHROLKQ-UHFFFAOYSA-N 0 1 216.240 2.044 20 0 BEADMN O=C(OCC1CC=CC1)c1ccc2cncn2c1 ZINC000793174417 586012743 /nfs/dbraw/zinc/01/27/43/586012743.db2.gz UOAGIEFQSIIFRK-UHFFFAOYSA-N 0 1 242.278 2.457 20 0 BEADMN Cn1cccc1CN1CCC(F)(F)CC1 ZINC000793352340 586017260 /nfs/dbraw/zinc/01/72/60/586017260.db2.gz LUFPBSPKJAQDRF-UHFFFAOYSA-N 0 1 214.259 2.256 20 0 BEADMN O=C(CCc1nc[nH]n1)O[C@@H]1C=CCCCCC1 ZINC000793400267 586018384 /nfs/dbraw/zinc/01/83/84/586018384.db2.gz WNYCYBHVYZZNNQ-LLVKDONJSA-N 0 1 249.314 2.169 20 0 BEADMN Cc1cc([C@@H](C)NCc2cccc(O)c2)n(C)n1 ZINC000793529227 586022032 /nfs/dbraw/zinc/02/20/32/586022032.db2.gz VWDPBOKOVKLEPR-LLVKDONJSA-N 0 1 245.326 2.285 20 0 BEADMN CC(C)CONC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000793731061 586025628 /nfs/dbraw/zinc/02/56/28/586025628.db2.gz PXRFMYWXOWIPKS-LBPRGKRZSA-N 0 1 237.274 2.169 20 0 BEADMN CC[C@H]1CCN1Cn1nccc1-c1cccnc1 ZINC000793820596 586027341 /nfs/dbraw/zinc/02/73/41/586027341.db2.gz MEEIWKFAQKGQPM-ZDUSSCGKSA-N 0 1 242.326 2.387 20 0 BEADMN CC[C@H]1CCN1Cn1nccc1-c1ccncc1 ZINC000793820463 586027498 /nfs/dbraw/zinc/02/74/98/586027498.db2.gz LRZBQCOJTTUCQJ-ZDUSSCGKSA-N 0 1 242.326 2.387 20 0 BEADMN CCC/C(C)=C\C(=O)NCCN1CC=CCC1 ZINC000794120296 586032768 /nfs/dbraw/zinc/03/27/68/586032768.db2.gz ZVBBJXWFGBFRHQ-SEYXRHQNSA-N 0 1 236.359 2.111 20 0 BEADMN Cc1nc(CN2Cc3ccccc3[C@@H](C)C2)n[nH]1 ZINC000794270376 586036510 /nfs/dbraw/zinc/03/65/10/586036510.db2.gz DPHXMRHNHONJES-JTQLQIEISA-N 0 1 242.326 2.232 20 0 BEADMN C/C=C\C(=O)Nc1cc(C(=O)CC)ccc1O ZINC000794625436 586046032 /nfs/dbraw/zinc/04/60/32/586046032.db2.gz XIOSAVMTTAGKII-HYXAFXHYSA-N 0 1 233.267 2.500 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccnc(F)c2)C1 ZINC000859284404 589028083 /nfs/dbraw/zinc/02/80/83/589028083.db2.gz NLVIHPYUKMKUJL-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1occc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795296150 586074545 /nfs/dbraw/zinc/07/45/45/586074545.db2.gz PLGSORZCMDQIRN-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1occc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795296150 586074547 /nfs/dbraw/zinc/07/45/47/586074547.db2.gz PLGSORZCMDQIRN-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC1(C)CC(CN2CCO[C@H](C(F)F)C2)C1 ZINC000859297118 589029207 /nfs/dbraw/zinc/02/92/07/589029207.db2.gz UYRZNMAJTFSNTI-JTQLQIEISA-N 0 1 233.302 2.389 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H]2CC2(C)C)n1 ZINC000795490774 586081547 /nfs/dbraw/zinc/08/15/47/586081547.db2.gz NTCCXFIUOGDLOB-QMMMGPOBSA-N 0 1 237.303 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC000795490774 586081548 /nfs/dbraw/zinc/08/15/48/586081548.db2.gz NTCCXFIUOGDLOB-QMMMGPOBSA-N 0 1 237.303 2.017 20 0 BEADMN CC[C@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795532607 586083451 /nfs/dbraw/zinc/08/34/51/586083451.db2.gz UUXADFZKSQDAAY-VIFPVBQESA-N 0 1 239.319 2.408 20 0 BEADMN CC[C@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795532607 586083452 /nfs/dbraw/zinc/08/34/52/586083452.db2.gz UUXADFZKSQDAAY-VIFPVBQESA-N 0 1 239.319 2.408 20 0 BEADMN CC[C@@H](C)CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795532606 586083681 /nfs/dbraw/zinc/08/36/81/586083681.db2.gz UUXADFZKSQDAAY-SECBINFHSA-N 0 1 239.319 2.408 20 0 BEADMN CC[C@@H](C)CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795532606 586083683 /nfs/dbraw/zinc/08/36/83/586083683.db2.gz UUXADFZKSQDAAY-SECBINFHSA-N 0 1 239.319 2.408 20 0 BEADMN CC(C)/C=C/C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795547373 586084896 /nfs/dbraw/zinc/08/48/96/586084896.db2.gz VJTVWYDTWDLIMX-AATRIKPKSA-N 0 1 237.303 2.184 20 0 BEADMN CC(C)/C=C/C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795547373 586084898 /nfs/dbraw/zinc/08/48/98/586084898.db2.gz VJTVWYDTWDLIMX-AATRIKPKSA-N 0 1 237.303 2.184 20 0 BEADMN CC(C)/C=C\C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795547377 586084932 /nfs/dbraw/zinc/08/49/32/586084932.db2.gz VJTVWYDTWDLIMX-WAYWQWQTSA-N 0 1 237.303 2.184 20 0 BEADMN CC(C)/C=C\C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795547377 586084933 /nfs/dbraw/zinc/08/49/33/586084933.db2.gz VJTVWYDTWDLIMX-WAYWQWQTSA-N 0 1 237.303 2.184 20 0 BEADMN CC[C@H](C)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795649652 586090210 /nfs/dbraw/zinc/09/02/10/586090210.db2.gz CQTDIFKSFRZSOI-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)CCCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795682564 586091127 /nfs/dbraw/zinc/09/11/27/586091127.db2.gz BONJVNPQRMNHOQ-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)CC1CCC1 ZINC000796540747 586106484 /nfs/dbraw/zinc/10/64/84/586106484.db2.gz WEXQZMOLNBVHPV-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nonc1CN(CC1CC1)C1CCC1 ZINC000796578686 586107546 /nfs/dbraw/zinc/10/75/46/586107546.db2.gz XEIMEPCXODZQTO-UHFFFAOYSA-N 0 1 221.304 2.143 20 0 BEADMN CCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000796788097 586112696 /nfs/dbraw/zinc/11/26/96/586112696.db2.gz QTXZDFZNFKUDHY-NSHDSACASA-N 0 1 237.299 2.197 20 0 BEADMN CCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000796788093 586112801 /nfs/dbraw/zinc/11/28/01/586112801.db2.gz QTXZDFZNFKUDHY-LLVKDONJSA-N 0 1 237.299 2.197 20 0 BEADMN CCC/C(C)=C/C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000797757184 586130769 /nfs/dbraw/zinc/13/07/69/586130769.db2.gz HMMFNORJSHKXDM-CSKARUKUSA-N 0 1 248.330 2.047 20 0 BEADMN CC/C=C/CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000798817759 586150345 /nfs/dbraw/zinc/15/03/45/586150345.db2.gz AEKGSHPFZLVKEM-ABZNLYFFSA-N 0 1 227.348 2.472 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CC=CC1)N(C)C ZINC000798841320 586151118 /nfs/dbraw/zinc/15/11/18/586151118.db2.gz LUGGWICOEPJTCM-LBPRGKRZSA-N 0 1 225.332 2.082 20 0 BEADMN CC[C@H](C)COC(=O)[C@H](C(C)C)N(C)C ZINC000798847642 586151458 /nfs/dbraw/zinc/15/14/58/586151458.db2.gz PVACTGAOGLYNFD-QWRGUYRKSA-N 0 1 215.337 2.162 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(F)c2)C[C@H]1C ZINC000859325557 589031635 /nfs/dbraw/zinc/03/16/35/589031635.db2.gz XFBGEDLGBJYOMV-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN CC1(C)CCC[N@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799299914 586168600 /nfs/dbraw/zinc/16/86/00/586168600.db2.gz DZLUKAJRBQZEMX-LBPRGKRZSA-N 0 1 238.306 2.129 20 0 BEADMN COC[C@@]1(C)CCN(Cc2ccnc(F)c2)C1 ZINC000859321578 589032041 /nfs/dbraw/zinc/03/20/41/589032041.db2.gz LLWGKJGQDQPVME-ZDUSSCGKSA-N 0 1 238.306 2.079 20 0 BEADMN CN(CCCO)Cc1cc(Cl)nc(Cl)c1 ZINC000799365304 586174504 /nfs/dbraw/zinc/17/45/04/586174504.db2.gz WZVFMVYRXQJJBA-UHFFFAOYSA-N 0 1 249.141 2.203 20 0 BEADMN O=C(NC[C@@H]1CCCC(F)(F)C1)C(F)(F)F ZINC000800569950 586224911 /nfs/dbraw/zinc/22/49/11/586224911.db2.gz DFAWGAANMNVPNY-ZCFIWIBFSA-N 0 1 245.191 2.490 20 0 BEADMN CCC[C@H](C)N1CCO[C@H](C(F)F)C1 ZINC000801559038 586261988 /nfs/dbraw/zinc/26/19/88/586261988.db2.gz BGUBPTNZSXPETB-IUCAKERBSA-N 0 1 207.264 2.141 20 0 BEADMN CCCCN(CC)CN1C[C@H](C)[C@@H](C)C1=O ZINC000839958435 586295826 /nfs/dbraw/zinc/29/58/26/586295826.db2.gz JSSZHQLGLOLTBY-NWDGAFQWSA-N 0 1 226.364 2.180 20 0 BEADMN CCCCN(CC)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839959156 586300386 /nfs/dbraw/zinc/30/03/86/586300386.db2.gz NJGIEDVNQBRZPP-OLZOCXBDSA-N 0 1 238.375 2.324 20 0 BEADMN CN(Cn1ccc(-c2ccc(F)cn2)n1)C1CC1 ZINC000839961993 586302888 /nfs/dbraw/zinc/30/28/88/586302888.db2.gz ZNTDLSZBHFNGIB-UHFFFAOYSA-N 0 1 246.289 2.136 20 0 BEADMN CC[C@]1(C)CN(CCC(=O)C(C)C)CCO1 ZINC000808749579 586305481 /nfs/dbraw/zinc/30/54/81/586305481.db2.gz BCLNXTGAFGLFFX-CYBMUJFWSA-N 0 1 227.348 2.103 20 0 BEADMN FC(F)[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000802653427 586307932 /nfs/dbraw/zinc/30/79/32/586307932.db2.gz LVYJIPKDGIPFMD-MNOVXSKESA-N 0 1 231.286 2.309 20 0 BEADMN Cn1c(SCCSC(C)(C)C)n[nH]c1=O ZINC000802727599 586311320 /nfs/dbraw/zinc/31/13/20/586311320.db2.gz NYDAWPJBNDYYNA-UHFFFAOYSA-N 0 1 247.389 2.145 20 0 BEADMN Cc1nc([C@H](C)SC2=NCCS2)n[nH]1 ZINC000839978634 586314370 /nfs/dbraw/zinc/31/43/70/586314370.db2.gz MXPHKKYFIXRUGH-YFKPBYRVSA-N 0 1 228.346 2.010 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)CC2)n(C)n1 ZINC000859540566 589043863 /nfs/dbraw/zinc/04/38/63/589043863.db2.gz IVLKCRVRJHLUBG-UHFFFAOYSA-N 0 1 243.301 2.350 20 0 BEADMN CC1(C)CCN(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC000839985311 586324970 /nfs/dbraw/zinc/32/49/70/586324970.db2.gz HLORRSBLZRBGRT-NEPJUHHUSA-N 0 1 236.359 2.077 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2cc(C)oc2C)n[nH]1 ZINC000839990393 586333038 /nfs/dbraw/zinc/33/30/38/586333038.db2.gz GECJFQDQNXIKBJ-QMMMGPOBSA-N 0 1 249.270 2.241 20 0 BEADMN CC1(C)CCCN(CN2C(=O)[C@@H]3CCC[C@@H]32)C1 ZINC000839993036 586335435 /nfs/dbraw/zinc/33/54/35/586335435.db2.gz AWJXBWVYVMMIGX-NEPJUHHUSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@@H](C(=O)OC[C@H]1C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000859566774 589045495 /nfs/dbraw/zinc/04/54/95/589045495.db2.gz LXXSVVISMYKTDS-NJMOYASZSA-N 0 1 239.359 2.447 20 0 BEADMN CC[C@H](C(=O)OCCCCF)N(CC)CC ZINC000803362664 586347405 /nfs/dbraw/zinc/34/74/05/586347405.db2.gz MEZFDRIMUFUSGP-LLVKDONJSA-N 0 1 233.327 2.400 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1C[C@@H]1C)N1CCCC1 ZINC000859568068 589045769 /nfs/dbraw/zinc/04/57/69/589045769.db2.gz YXZULRGANXICTL-YNEHKIRRSA-N 0 1 239.359 2.306 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1C=CCCC1)N(C)C ZINC000803492367 586360773 /nfs/dbraw/zinc/36/07/73/586360773.db2.gz CTIGMBHOEMHGMN-VXGBXAGGSA-N 0 1 225.332 2.225 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2CCCCC2)n[nH]1 ZINC000840003567 586360806 /nfs/dbraw/zinc/36/08/06/586360806.db2.gz MWOPZMMOLJBAIC-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1C=CCCC1)N(C)C ZINC000803492366 586361154 /nfs/dbraw/zinc/36/11/54/586361154.db2.gz CTIGMBHOEMHGMN-RYUDHWBXSA-N 0 1 225.332 2.225 20 0 BEADMN CC(C)C1CCN(CN2CC[C@@H](C)C2=O)CC1 ZINC000840012009 586367644 /nfs/dbraw/zinc/36/76/44/586367644.db2.gz NQVWIFPZBDOLSP-GFCCVEGCSA-N 0 1 238.375 2.180 20 0 BEADMN C/C=C(/C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000803640563 586368033 /nfs/dbraw/zinc/36/80/33/586368033.db2.gz XECGYNILPDEWSM-WMZJFQQLSA-N 0 1 247.342 2.390 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccccc2C)n[nH]1 ZINC000840011369 586368596 /nfs/dbraw/zinc/36/85/96/586368596.db2.gz OHTWULJBBXGBLG-SECBINFHSA-N 0 1 245.282 2.340 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CC(C)(C)C)n[nH]1 ZINC000840011593 586368629 /nfs/dbraw/zinc/36/86/29/586368629.db2.gz KNNLXXBMAQJURK-ZETCQYMHSA-N 0 1 225.292 2.154 20 0 BEADMN CC[C@@]1(C)CCCN(CN2CC[C@@H](C)C2=O)C1 ZINC000840015660 586372104 /nfs/dbraw/zinc/37/21/04/586372104.db2.gz PZZUKPGPFTZUCN-OCCSQVGLSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@]1(C)CCCN(CN2CC[C@H](C)C2=O)C1 ZINC000840015657 586372126 /nfs/dbraw/zinc/37/21/26/586372126.db2.gz PZZUKPGPFTZUCN-GXTWGEPZSA-N 0 1 238.375 2.324 20 0 BEADMN CCN1CCN(C(=O)C=C2CCCC2)[C@@H](C)C1 ZINC000804378791 586393527 /nfs/dbraw/zinc/39/35/27/586393527.db2.gz BKUAHJPORFMETL-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCN(CCC1CC1)CN1CCC(C)(C)C1=O ZINC000840046430 586396503 /nfs/dbraw/zinc/39/65/03/586396503.db2.gz AJYCNAVYEXXJDN-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CSc1cnc(N2CCc3cnccc32)nc1 ZINC000804535896 586398729 /nfs/dbraw/zinc/39/87/29/586398729.db2.gz OBJGBCRRZGWIPA-UHFFFAOYSA-N 0 1 244.323 2.288 20 0 BEADMN C[C@@H](CCC1CCCC1)NCc1cnn(C)n1 ZINC000806165149 586407018 /nfs/dbraw/zinc/40/70/18/586407018.db2.gz DDUWSVVAIYBNPS-NSHDSACASA-N 0 1 236.363 2.264 20 0 BEADMN CC(C)[C@@H](N)c1noc(/C=C\c2cccnc2)n1 ZINC000843148781 586448237 /nfs/dbraw/zinc/44/82/37/586448237.db2.gz WQLXSWAZQMHSIF-FOQNGQEVSA-N 0 1 244.298 2.291 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2CCO[C@H](C)C2)n1 ZINC000843150112 586448490 /nfs/dbraw/zinc/44/84/90/586448490.db2.gz GEAXJKSWTGNMOH-OPRDCNLKSA-N 0 1 239.319 2.008 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccc2sccc2c1 ZINC000807923720 586451849 /nfs/dbraw/zinc/45/18/49/586451849.db2.gz UPLLDKCSTZHGQE-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCCCC2)C1 ZINC000808134481 586464406 /nfs/dbraw/zinc/46/44/06/586464406.db2.gz VSKIBOAUOCWLFP-CYBMUJFWSA-N 0 1 224.348 2.078 20 0 BEADMN CN(CN1C(=O)CCC1(C)C)CC(C)(C)C ZINC000808160350 586465396 /nfs/dbraw/zinc/46/53/96/586465396.db2.gz PHCADTIYFCMPAH-UHFFFAOYSA-N 0 1 226.364 2.323 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000808164260 586465828 /nfs/dbraw/zinc/46/58/28/586465828.db2.gz FQUKAHCXLQZPNX-WCQYABFASA-N 0 1 224.348 2.077 20 0 BEADMN C[C@@H](NCc1nccs1)[C@H](O)c1ccccc1 ZINC000808447410 586472615 /nfs/dbraw/zinc/47/26/15/586472615.db2.gz ZENAOBQXOVRBCW-MFKMUULPSA-N 0 1 248.351 2.355 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000808744913 586486672 /nfs/dbraw/zinc/48/66/72/586486672.db2.gz FGPXOYSMSJDCPB-JTQLQIEISA-N 0 1 249.301 2.305 20 0 BEADMN CCC(CC)N(CC)Cc1nonc1C ZINC000808782416 586489463 /nfs/dbraw/zinc/48/94/63/586489463.db2.gz RVVQLGRQODDDME-UHFFFAOYSA-N 0 1 211.309 2.389 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](C2CC2)C1 ZINC000808778077 586489472 /nfs/dbraw/zinc/48/94/72/586489472.db2.gz LYNLTSGRMHVRHV-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000808778079 586489900 /nfs/dbraw/zinc/48/99/00/586489900.db2.gz LYNLTSGRMHVRHV-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN CCn1ccnc1S[C@H](C)c1n[nH]c(C)n1 ZINC000840157993 586494858 /nfs/dbraw/zinc/49/48/58/586494858.db2.gz IJWBJVNLXSDBQU-SSDOTTSWSA-N 0 1 237.332 2.183 20 0 BEADMN CCCON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000809373894 586505090 /nfs/dbraw/zinc/50/50/90/586505090.db2.gz AJFFRZPEYMGHFF-QWRGUYRKSA-N 0 1 227.352 2.158 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1ccccc1C ZINC000809744438 586516421 /nfs/dbraw/zinc/51/64/21/586516421.db2.gz KXMAUXYXYCMGIQ-NSHDSACASA-N 0 1 245.326 2.407 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000809744408 586516502 /nfs/dbraw/zinc/51/65/02/586516502.db2.gz KERWGIMFIGBCJQ-NWDGAFQWSA-N 0 1 235.331 2.436 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(Cc1cnn(C)n1)C1CC1 ZINC000809942230 586524879 /nfs/dbraw/zinc/52/48/79/586524879.db2.gz GHFBRODCYLJAHA-GHMZBOCLSA-N 0 1 236.363 2.214 20 0 BEADMN CC(C)c1cnc(CN[C@](C)(CO)C(C)C)o1 ZINC000810076609 586531790 /nfs/dbraw/zinc/53/17/90/586531790.db2.gz KKHJQJULYXAPLL-CYBMUJFWSA-N 0 1 240.347 2.295 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC(F)(F)[C@H](C)C1 ZINC000810046576 586532669 /nfs/dbraw/zinc/53/26/69/586532669.db2.gz WYBCSLSZNASTPE-WXLQGSQKSA-N 0 1 247.285 2.083 20 0 BEADMN C/C=C\COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810545634 586540963 /nfs/dbraw/zinc/54/09/63/586540963.db2.gz JGSVCAIINVIPQB-CFHLNLSMSA-N 0 1 243.322 2.318 20 0 BEADMN CCC/C=C\C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840208106 586545809 /nfs/dbraw/zinc/54/58/09/586545809.db2.gz JFZIUGFQZQRACM-NFXKFNAJSA-N 0 1 223.276 2.074 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000840228320 586557208 /nfs/dbraw/zinc/55/72/08/586557208.db2.gz DDNWHGCLTWBSMH-HYDMIIDASA-N 0 1 237.303 2.320 20 0 BEADMN Cc1ccc(-c2cc(NC(=O)C(F)F)[nH]n2)o1 ZINC000811463504 586559760 /nfs/dbraw/zinc/55/97/60/586559760.db2.gz XWPBZRLAIJPCGH-UHFFFAOYSA-N 0 1 241.197 2.182 20 0 BEADMN CCCN(CC)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811741948 586566351 /nfs/dbraw/zinc/56/63/51/586566351.db2.gz VGHGPTMAMQQXMB-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CN(C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811736652 586566528 /nfs/dbraw/zinc/56/65/28/586566528.db2.gz GKRLQEMHUZPIHF-GFCCVEGCSA-N 0 1 238.375 2.179 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811753311 586566850 /nfs/dbraw/zinc/56/68/50/586566850.db2.gz RMIKVAWRKAZULT-ZYHUDNBSSA-N 0 1 236.359 2.075 20 0 BEADMN O[C@@H](CN1CC(C2CC2)C1)c1ccccc1F ZINC000812313427 586573344 /nfs/dbraw/zinc/57/33/44/586573344.db2.gz VJFNZKQVGFSQKX-AWEZNQCLSA-N 0 1 235.302 2.201 20 0 BEADMN CC[C@@H](C)CON=c1c(C)c(C)[nH]c2ncnn21 ZINC000813622472 586604789 /nfs/dbraw/zinc/60/47/89/586604789.db2.gz QDWWMDNPIWHPOM-MRVPVSSYSA-N 0 1 249.318 2.131 20 0 BEADMN CCCC1(C(=O)O[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000840293928 586605577 /nfs/dbraw/zinc/60/55/77/586605577.db2.gz PRJYUTDGOJOEGI-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN CCC/C=C/COC(=O)[C@@H](C(C)C)N(C)C ZINC000813907892 586609239 /nfs/dbraw/zinc/60/92/39/586609239.db2.gz UBTVGZWLDRPDKC-IDVQTMNDSA-N 0 1 227.348 2.472 20 0 BEADMN Cc1cc(NC(=O)c2c[nH]nc2C(C)(C)C)no1 ZINC000814803831 586635841 /nfs/dbraw/zinc/63/58/41/586635841.db2.gz NNBOHUOZYVYVQE-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)[C@H]1C ZINC000815163391 586671907 /nfs/dbraw/zinc/67/19/07/586671907.db2.gz QHVVPBRBYNZBRF-VYUIOLGVSA-N 0 1 241.281 2.338 20 0 BEADMN C[C@H]1CN(Cc2ccc3c(c2)OCCO3)[C@H]1C ZINC000815164539 586672186 /nfs/dbraw/zinc/67/21/86/586672186.db2.gz XWPYXDOBNNZNLD-QWRGUYRKSA-N 0 1 233.311 2.298 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)[C@@H]1C ZINC000815164537 586672625 /nfs/dbraw/zinc/67/26/25/586672625.db2.gz XWPYXDOBNNZNLD-GHMZBOCLSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000859810439 589061551 /nfs/dbraw/zinc/06/15/51/589061551.db2.gz OBVNWKWQCBEVDR-ZYHUDNBSSA-N 0 1 231.311 2.167 20 0 BEADMN CC[C@H](C(=O)OC[C@H]1CC1(F)F)N(CC)CC ZINC000816416104 586726653 /nfs/dbraw/zinc/72/66/53/586726653.db2.gz KHMFOECQUCHLBP-NXEZZACHSA-N 0 1 249.301 2.305 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000859805662 589062076 /nfs/dbraw/zinc/06/20/76/589062076.db2.gz WZRWFWNCEGECFT-CYBMUJFWSA-N 0 1 244.294 2.217 20 0 BEADMN Cc1cccc2ncc(CN3C[C@H](C)[C@@H]3C)n21 ZINC000816646334 586748036 /nfs/dbraw/zinc/74/80/36/586748036.db2.gz CACXIWTUJJGAMD-JQWIXIFHSA-N 0 1 229.327 2.483 20 0 BEADMN COCc1ccc(CN2C[C@H](C)[C@@H]2C)o1 ZINC000816647943 586750558 /nfs/dbraw/zinc/75/05/58/586750558.db2.gz AZLMTPMKFJSYRN-UWVGGRQHSA-N 0 1 209.289 2.266 20 0 BEADMN Cc1ccc2ncc(CN3C[C@H](C)[C@H]3C)n2c1 ZINC000816648454 586751832 /nfs/dbraw/zinc/75/18/32/586751832.db2.gz KZFVPGCNZFABID-NWDGAFQWSA-N 0 1 229.327 2.483 20 0 BEADMN CC(F)(F)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000816716339 586759870 /nfs/dbraw/zinc/75/98/70/586759870.db2.gz IAIKUFUBRYDHGV-RXMQYKEDSA-N 0 1 231.164 2.099 20 0 BEADMN CC[C@H](C)CONC(=O)[C@H]1CC1(Cl)Cl ZINC000816978753 586777684 /nfs/dbraw/zinc/77/76/84/586777684.db2.gz APMKDFAYLFDQNK-NKWVEPMBSA-N 0 1 240.130 2.274 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@H]1Cc2ccccc21 ZINC000816979224 586777697 /nfs/dbraw/zinc/77/76/97/586777697.db2.gz KLLNFTSOQSMXFA-MFKMUULPSA-N 0 1 233.311 2.420 20 0 BEADMN CO[C@H](C)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017625 586779404 /nfs/dbraw/zinc/77/94/04/586779404.db2.gz WDIVRAPBQJBIAM-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN O=C(NOCCC1CC1)[C@@H]1CC1(Cl)Cl ZINC000817416758 586802511 /nfs/dbraw/zinc/80/25/11/586802511.db2.gz TUQHEDKXZFROSY-ZETCQYMHSA-N 0 1 238.114 2.028 20 0 BEADMN C/C=C(\C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000818011708 586864456 /nfs/dbraw/zinc/86/44/56/586864456.db2.gz MECUKZNACBPKJO-PTJFDQCRSA-N 0 1 244.338 2.126 20 0 BEADMN Cn1c(Cl)nc(Cl)c1CN[C@H]1CC12CC2 ZINC000818229861 586880459 /nfs/dbraw/zinc/88/04/59/586880459.db2.gz FWBDMOUNFAOLTQ-ZETCQYMHSA-N 0 1 246.141 2.369 20 0 BEADMN CCC(=CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)CC ZINC000818626274 586908224 /nfs/dbraw/zinc/90/82/24/586908224.db2.gz RPJAEKFCRSEISH-TXEJJXNPSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)C[C@H]1CC ZINC000818978066 586917026 /nfs/dbraw/zinc/91/70/26/586917026.db2.gz PZYHJBJFPZTXOQ-YLGBQOPLSA-N 0 1 238.375 2.285 20 0 BEADMN O[C@H](CNc1ccc2cnccc2c1)C1CC1 ZINC000819489600 586969022 /nfs/dbraw/zinc/96/90/22/586969022.db2.gz BHXAOMKJEIQGRS-CQSZACIVSA-N 0 1 228.295 2.418 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccnc(Cl)c1 ZINC000820014850 587012686 /nfs/dbraw/zinc/01/26/86/587012686.db2.gz CUGBXFMFANVBPA-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)c1ncc(C[N@@H+](C)CCC(=O)[O-])s1 ZINC000820061336 587016211 /nfs/dbraw/zinc/01/62/11/587016211.db2.gz FLNNUWWRWAWCOM-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)[O-])s1 ZINC000820061635 587016412 /nfs/dbraw/zinc/01/64/12/587016412.db2.gz MWQHCIZBCZIYNA-MRVPVSSYSA-N 0 1 242.344 2.171 20 0 BEADMN CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)[O-])s1 ZINC000820061635 587016413 /nfs/dbraw/zinc/01/64/13/587016413.db2.gz MWQHCIZBCZIYNA-MRVPVSSYSA-N 0 1 242.344 2.171 20 0 BEADMN C[C@@H](NC(=O)CN1CCCC1)C1CCCCC1 ZINC000820239717 587037642 /nfs/dbraw/zinc/03/76/42/587037642.db2.gz CXHQNMCIDLUWFF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@@]1(C)C=CCC1 ZINC000820279839 587040158 /nfs/dbraw/zinc/04/01/58/587040158.db2.gz SDINOZBVKTUSHV-PWSUYJOCSA-N 0 1 211.305 2.437 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)CN1CCCC1 ZINC000820330473 587043593 /nfs/dbraw/zinc/04/35/93/587043593.db2.gz WROFBBBNVHOBNP-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@]1(C(=O)NOCCC2CC2)C=CCC1 ZINC000820484957 587051062 /nfs/dbraw/zinc/05/10/62/587051062.db2.gz RYOCMILWOFIXGC-LBPRGKRZSA-N 0 1 209.289 2.191 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000820527127 587052776 /nfs/dbraw/zinc/05/27/76/587052776.db2.gz NMUPPGSAQZHZDE-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cnnn2C)s1 ZINC000820807502 587073704 /nfs/dbraw/zinc/07/37/04/587073704.db2.gz JSEVLCSSOUDCEK-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN CC[C@H](N[C@@H](C)c1cnnn1C)c1ccncc1 ZINC000820811401 587073982 /nfs/dbraw/zinc/07/39/82/587073982.db2.gz PTIDSPHFOYFPRW-JQWIXIFHSA-N 0 1 245.330 2.012 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)CN(C)CC(C)(C)C ZINC000821036941 587089787 /nfs/dbraw/zinc/08/97/87/587089787.db2.gz PTBJTXPGMHVFIU-LLVKDONJSA-N 0 1 244.379 2.153 20 0 BEADMN Cc1cccc(C2=CC[N@@H+](CC(=O)[O-])CC2)c1 ZINC000821112306 587096408 /nfs/dbraw/zinc/09/64/08/587096408.db2.gz RCGIPCIEAXMSCP-UHFFFAOYSA-N 0 1 231.295 2.169 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@H]1C1CC1 ZINC000821149104 587099211 /nfs/dbraw/zinc/09/92/11/587099211.db2.gz GWZLGCADJXPWLO-NSHDSACASA-N 0 1 235.258 2.156 20 0 BEADMN CCC[C@H](CC)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000821323872 587107301 /nfs/dbraw/zinc/10/73/01/587107301.db2.gz IZGNHHGWQJZFNY-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCCCCCC1 ZINC000821343027 587109498 /nfs/dbraw/zinc/10/94/98/587109498.db2.gz UBCXCXDVTKYZLZ-LLVKDONJSA-N 0 1 234.347 2.386 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000821512026 587124288 /nfs/dbraw/zinc/12/42/88/587124288.db2.gz YZTBCYDHBMKBIJ-STQMWFEESA-N 0 1 245.322 2.123 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000821511589 587124326 /nfs/dbraw/zinc/12/43/26/587124326.db2.gz KKLCEKHFMYQDEB-HZSPNIEDSA-N 0 1 245.322 2.197 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000821518357 587124812 /nfs/dbraw/zinc/12/48/12/587124812.db2.gz XUSWYLHFSDAHAL-ZDUSSCGKSA-N 0 1 248.326 2.473 20 0 BEADMN CC1(C)CCC[C@@H](NC(=O)CN2CCCC2)C1 ZINC000822317654 587161963 /nfs/dbraw/zinc/16/19/63/587161963.db2.gz ROSJMKKCIDRVED-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN2CCCC2)CC1 ZINC000822317991 587161993 /nfs/dbraw/zinc/16/19/93/587161993.db2.gz VMXWFRUPEGUOLG-OLZOCXBDSA-N 0 1 238.375 2.167 20 0 BEADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCCC12CCC2 ZINC000822473567 587170624 /nfs/dbraw/zinc/17/06/24/587170624.db2.gz ZZUOICCURAUDDJ-GHMZBOCLSA-N 0 1 245.326 2.058 20 0 BEADMN CCn1nc(C)c(CNC2CC3(CCC3)C2)n1 ZINC000822493921 587171807 /nfs/dbraw/zinc/17/18/07/587171807.db2.gz BLFAKIFBRASARY-UHFFFAOYSA-N 0 1 234.347 2.029 20 0 BEADMN Fc1cc(CN[C@H]2CC23CC3)c(F)cn1 ZINC000822498019 587172018 /nfs/dbraw/zinc/17/20/18/587172018.db2.gz STCPTOIOXDFQPO-VIFPVBQESA-N 0 1 210.227 2.002 20 0 BEADMN CO[C@H](CN(C)Cc1c(C)noc1C)C1CC1 ZINC000822580477 587175877 /nfs/dbraw/zinc/17/58/77/587175877.db2.gz YPUMPSPGODTRKI-CYBMUJFWSA-N 0 1 238.331 2.148 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(CC)C[C@@H]1C ZINC000822867227 587190043 /nfs/dbraw/zinc/19/00/43/587190043.db2.gz UUJRUJGAJWGKRB-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(CC)C[C@H]1C ZINC000822867226 587190396 /nfs/dbraw/zinc/19/03/96/587190396.db2.gz UUJRUJGAJWGKRB-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN C(c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1)C1CCCC1 ZINC000823253351 587211224 /nfs/dbraw/zinc/21/12/24/587211224.db2.gz SFRNIQGYHYPJTA-MXWKQRLJSA-N 0 1 233.315 2.225 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2CCC[C@H]2CC)n[nH]1 ZINC000823286114 587213404 /nfs/dbraw/zinc/21/34/04/587213404.db2.gz BXGYTPPYQMSQCI-MFKMUULPSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)n[nH]1 ZINC000823286850 587214014 /nfs/dbraw/zinc/21/40/14/587214014.db2.gz TYJAVCLOLBJFDW-ZWNOBZJWSA-N 0 1 249.358 2.271 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC000823293123 587214430 /nfs/dbraw/zinc/21/44/30/587214430.db2.gz VEDSLVHIIWSNMX-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000823418100 587220757 /nfs/dbraw/zinc/22/07/57/587220757.db2.gz BVFOKIKHEDSRSY-OCCSQVGLSA-N 0 1 248.374 2.371 20 0 BEADMN CC[C@H](NC(=O)CN1CCCC1)C1CCCC1 ZINC000823415782 587220780 /nfs/dbraw/zinc/22/07/80/587220780.db2.gz DNLBNEUAFDJNCW-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCn1nc(C)c(CN(C)C(C2CC2)C2CC2)n1 ZINC000823423222 587221097 /nfs/dbraw/zinc/22/10/97/587221097.db2.gz GBZLIXIQYLFSSJ-UHFFFAOYSA-N 0 1 248.374 2.227 20 0 BEADMN CCN(Cc1nn(CC)nc1C)[C@H](C)C(C)C ZINC000823423828 587221384 /nfs/dbraw/zinc/22/13/84/587221384.db2.gz OZZZANJMNUPVEC-GFCCVEGCSA-N 0 1 238.379 2.473 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nn(CC)nc1C ZINC000823458597 587223475 /nfs/dbraw/zinc/22/34/75/587223475.db2.gz AFKMQUJGWXMMIF-JQWIXIFHSA-N 0 1 236.363 2.227 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)CN1CCCC1 ZINC000823492866 587227224 /nfs/dbraw/zinc/22/72/24/587227224.db2.gz ATZIUCFEHZAHRP-TZMCWYRMSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1cc(CNCc2ncc(C)s2)n[nH]1 ZINC000823860802 587244336 /nfs/dbraw/zinc/24/43/36/587244336.db2.gz MLIMXRNGHLCKPS-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN C[C@@]1(CNCc2cc(F)ncc2F)CCCO1 ZINC000824012418 587248197 /nfs/dbraw/zinc/24/81/97/587248197.db2.gz ZKKPNDCOXCBFOC-LBPRGKRZSA-N 0 1 242.269 2.019 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824039310 587250986 /nfs/dbraw/zinc/25/09/86/587250986.db2.gz UMDQWGJRMXNKTA-RYUDHWBXSA-N 0 1 240.347 2.321 20 0 BEADMN C/C(=C/C(=O)N(C)Cc1cn[nH]c1C)C1CC1 ZINC000824050578 587251830 /nfs/dbraw/zinc/25/18/30/587251830.db2.gz HBEFDVLAZMOSDC-TWGQIWQCSA-N 0 1 233.315 2.033 20 0 BEADMN CC(C)[C@H](CC[N@@H+](C)C/C=C\Cl)NC(=O)[O-] ZINC000824098684 587255862 /nfs/dbraw/zinc/25/58/62/587255862.db2.gz KXDNTTOFCDDGID-OAQKJQOQSA-N 0 1 248.754 2.353 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1cc(F)ncc1F ZINC000824147878 587258577 /nfs/dbraw/zinc/25/85/77/587258577.db2.gz QZHNIRUMSPAYJX-PRHODGIISA-N 0 1 242.269 2.017 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1cc(F)ncc1F ZINC000824147879 587258689 /nfs/dbraw/zinc/25/86/89/587258689.db2.gz QZHNIRUMSPAYJX-QPUJVOFHSA-N 0 1 242.269 2.017 20 0 BEADMN CC1(NC(=O)c2cccc(F)c2O)CC=CC1 ZINC000824259623 587263575 /nfs/dbraw/zinc/26/35/75/587263575.db2.gz UVUAAYPCZITPDA-UHFFFAOYSA-N 0 1 235.258 2.370 20 0 BEADMN CC[C@]1(NCc2cc(F)ncc2F)CCOC1 ZINC000824282037 587264614 /nfs/dbraw/zinc/26/46/14/587264614.db2.gz OUVUZYOTDMTCIE-LBPRGKRZSA-N 0 1 242.269 2.019 20 0 BEADMN CC(C)[C@@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC000117432111 589096119 /nfs/dbraw/zinc/09/61/19/589096119.db2.gz ZUCCXZMTYADADP-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nonc1CN[C@H]1CCCC12CCC2 ZINC000824389735 587269039 /nfs/dbraw/zinc/26/90/39/587269039.db2.gz RUZPEKUJZCZIMK-NSHDSACASA-N 0 1 221.304 2.190 20 0 BEADMN CC[C@@H](C)CC(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840487429 587270609 /nfs/dbraw/zinc/27/06/09/587270609.db2.gz IYHQIYPZZLSJJW-SFYZADRCSA-N 0 1 225.292 2.154 20 0 BEADMN CCOC[C@@H](C)NCc1cc(F)cnc1Cl ZINC000824537335 587274264 /nfs/dbraw/zinc/27/42/64/587274264.db2.gz BDDMRLFZJYKDTA-MRVPVSSYSA-N 0 1 246.713 2.389 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1(C)C(C)(C)C1(C)C ZINC000824629310 587280237 /nfs/dbraw/zinc/28/02/37/587280237.db2.gz SJZSDSCGRSGTCH-UHFFFAOYSA-N 0 1 249.358 2.440 20 0 BEADMN C[C@@]1(CNCc2ncc[nH]2)CC1(Cl)Cl ZINC000824765462 587286335 /nfs/dbraw/zinc/28/63/35/587286335.db2.gz LQFNBHPSMMBZEW-QMMMGPOBSA-N 0 1 234.130 2.083 20 0 BEADMN Cc1c[nH]nc1CNC[C@]1(C)CC1(Cl)Cl ZINC000824774054 587286855 /nfs/dbraw/zinc/28/68/55/587286855.db2.gz QFGMAMVLCSOLFB-VIFPVBQESA-N 0 1 248.157 2.392 20 0 BEADMN COc1cncc(CN2CC[C@@H]2C(C)C)c1 ZINC000825038004 587299926 /nfs/dbraw/zinc/29/99/26/587299926.db2.gz NENKLABOMINKJZ-CYBMUJFWSA-N 0 1 220.316 2.321 20 0 BEADMN CCc1nc(CN[C@@H]2CCC[C@H](OC)C2)co1 ZINC000825062378 587301804 /nfs/dbraw/zinc/30/18/04/587301804.db2.gz UBZNBKOJIGSSRQ-PWSUYJOCSA-N 0 1 238.331 2.284 20 0 BEADMN c1nc(C2CC2)oc1CNC[C@@H]1CCC=CO1 ZINC000825175926 587307846 /nfs/dbraw/zinc/30/78/46/587307846.db2.gz WCUXEEOGHLWLBG-NSHDSACASA-N 0 1 234.299 2.334 20 0 BEADMN CCN(CC(=O)NCCCCC1CC1)C1CC1 ZINC000825676962 587331368 /nfs/dbraw/zinc/33/13/68/587331368.db2.gz ZEZZEXMYPBXAKN-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccccn1)C(=O)[O-] ZINC000825741598 587335371 /nfs/dbraw/zinc/33/53/71/587335371.db2.gz QFGBHYJGWZMMHR-SVTZGKHISA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000825736458 587335928 /nfs/dbraw/zinc/33/59/28/587335928.db2.gz ZJNZZWDUMMEUNA-LWMSPQMPSA-N 0 1 231.295 2.464 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccco1)C(=O)[O-] ZINC000825742107 587335988 /nfs/dbraw/zinc/33/59/88/587335988.db2.gz VZSXLAISLSBVPL-RUYJGKKWSA-N 0 1 235.283 2.447 20 0 BEADMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCNC(=O)[O-] ZINC000825778423 587338943 /nfs/dbraw/zinc/33/89/43/587338943.db2.gz MYDVSMWBTOUQLO-WCQYABFASA-N 0 1 248.326 2.132 20 0 BEADMN CCc1cc(CNC(=O)C(C)=C2CCC2)n[nH]1 ZINC000825868462 587343033 /nfs/dbraw/zinc/34/30/33/587343033.db2.gz DIQXPRZPGHWILI-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN C[C@@H]1CCC[N@@H+](C/C=C\Cl)[C@@H]1CNC(=O)[O-] ZINC000825924293 587345116 /nfs/dbraw/zinc/34/51/16/587345116.db2.gz GRCPLHQVZCRAHR-QBNQYXCASA-N 0 1 246.738 2.107 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)[C@@H]1C ZINC000825950325 587346970 /nfs/dbraw/zinc/34/69/70/587346970.db2.gz FWXWAXOQLIXHSR-GHMZBOCLSA-N 0 1 240.347 2.107 20 0 BEADMN Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)nn1 ZINC000826539603 587354446 /nfs/dbraw/zinc/35/44/46/587354446.db2.gz WSSTXQBRIQWQQM-AAEUAGOBSA-N 0 1 217.316 2.159 20 0 BEADMN C[C@]1(C(=O)NOCC2CCC2)C=CCC1 ZINC000826628235 587357128 /nfs/dbraw/zinc/35/71/28/587357128.db2.gz XZGHTHXSMYVFCA-LBPRGKRZSA-N 0 1 209.289 2.191 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000826644717 587357804 /nfs/dbraw/zinc/35/78/04/587357804.db2.gz KXWRXADNMGNOJF-YPMHNXCESA-N 0 1 240.347 2.108 20 0 BEADMN CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826820893 587363533 /nfs/dbraw/zinc/36/35/33/587363533.db2.gz OOWOZKGHTWJISI-LLVKDONJSA-N 0 1 228.336 2.251 20 0 BEADMN COCC1(NCc2cc(C)on2)CCCC1 ZINC000826834072 587363799 /nfs/dbraw/zinc/36/37/99/587363799.db2.gz MILVEBPGKBTBQS-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000827017579 587368042 /nfs/dbraw/zinc/36/80/42/587368042.db2.gz ZXZAALKZHIZEFE-NSHDSACASA-N 0 1 245.363 2.233 20 0 BEADMN CC[N@@H+](CCNC(=O)[O-])[C@H](C)c1ccccc1 ZINC000827146854 587371043 /nfs/dbraw/zinc/37/10/43/587371043.db2.gz ULNODOBKEJEDDZ-LLVKDONJSA-N 0 1 236.315 2.337 20 0 BEADMN CCN1CCCC[C@H]1CNC(=O)C(F)(F)CC ZINC000827210713 587372734 /nfs/dbraw/zinc/37/27/34/587372734.db2.gz QSDDOHYRZCSRRV-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CCc1ccc(CN(C)CC[S@@](C)=O)cc1 ZINC000827355166 587378414 /nfs/dbraw/zinc/37/84/14/587378414.db2.gz WAVOLGGEDOKCRD-MRXNPFEDSA-N 0 1 239.384 2.059 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 ZINC000827424757 587380826 /nfs/dbraw/zinc/38/08/26/587380826.db2.gz IQTQVMAKIDLFFH-ZWKOPEQDSA-N 0 1 247.342 2.025 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC000827424579 587380837 /nfs/dbraw/zinc/38/08/37/587380837.db2.gz GXQNFHOXENHFNY-NSHDSACASA-N 0 1 235.331 2.025 20 0 BEADMN CN(CC1=CCSC1)Cc1ccc(F)nc1 ZINC000827806140 587403815 /nfs/dbraw/zinc/40/38/15/587403815.db2.gz ORWFTKMRDQQTIQ-UHFFFAOYSA-N 0 1 238.331 2.326 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000827990063 587415538 /nfs/dbraw/zinc/41/55/38/587415538.db2.gz FDGBBKWRKVCUGJ-AWEZNQCLSA-N 0 1 239.359 2.104 20 0 BEADMN C[N@@H+](CC1CCCC1)C1CCN(C(=O)[O-])CC1 ZINC000828167641 587423230 /nfs/dbraw/zinc/42/32/30/587423230.db2.gz ATIZTJBKNKFSSR-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C(=O)N1CCN(C)[C@@H](C)[C@H]1C)=C1CCC1 ZINC000828338179 587436719 /nfs/dbraw/zinc/43/67/19/587436719.db2.gz JIEGLEWUEDGNQJ-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C(=O)N1CCN(C)[C@H](C)[C@@H]1C)=C1CCC1 ZINC000828338167 587436766 /nfs/dbraw/zinc/43/67/66/587436766.db2.gz JIEGLEWUEDGNQJ-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@H]1C ZINC000828604233 587452753 /nfs/dbraw/zinc/45/27/53/587452753.db2.gz YKYMBTMRMWZVQN-BXKDBHETSA-N 0 1 219.284 2.426 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@@H]1C ZINC000828604237 587453188 /nfs/dbraw/zinc/45/31/88/587453188.db2.gz YKYMBTMRMWZVQN-JOYOIKCWSA-N 0 1 219.284 2.426 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1cccc(F)c1O ZINC000828944782 587474263 /nfs/dbraw/zinc/47/42/63/587474263.db2.gz MFPHWIRTHATZJV-JTQLQIEISA-N 0 1 235.258 2.204 20 0 BEADMN C/C=C(\C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829079131 587482518 /nfs/dbraw/zinc/48/25/18/587482518.db2.gz MDRZLMWFAAFPRC-XCVCLJGOSA-N 0 1 245.326 2.140 20 0 BEADMN C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000829139619 587484649 /nfs/dbraw/zinc/48/46/49/587484649.db2.gz RBPNECHRVDIPFT-MNOVXSKESA-N 0 1 247.342 2.308 20 0 BEADMN C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000829139621 587484802 /nfs/dbraw/zinc/48/48/02/587484802.db2.gz RBPNECHRVDIPFT-WDEREUQCSA-N 0 1 247.342 2.308 20 0 BEADMN CCCCCC[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000829358043 587494065 /nfs/dbraw/zinc/49/40/65/587494065.db2.gz XSIUYYLIPKCXGH-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1sccc1OC ZINC000829475879 587499720 /nfs/dbraw/zinc/49/97/20/587499720.db2.gz SPPGBPZKZMJVRU-UHFFFAOYSA-N 0 1 243.328 2.053 20 0 BEADMN C[S@](=O)CCN1CCC=C(c2ccccc2)C1 ZINC000829541768 587502986 /nfs/dbraw/zinc/50/29/86/587502986.db2.gz CPZSKFBSCAXKKP-KRWDZBQOSA-N 0 1 249.379 2.154 20 0 BEADMN CC[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829608514 587505663 /nfs/dbraw/zinc/50/56/63/587505663.db2.gz KRSSXPMTJWRXEB-JTQLQIEISA-N 0 1 247.216 2.181 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cnc(Cl)s1 ZINC000829704735 587510910 /nfs/dbraw/zinc/51/09/10/587510910.db2.gz GTOADVXTHWXHES-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C(C)(C)C ZINC000830546499 587557175 /nfs/dbraw/zinc/55/71/75/587557175.db2.gz ZIESBFQRTMEOLD-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000830553528 587557982 /nfs/dbraw/zinc/55/79/82/587557982.db2.gz IVUFAMGNXNPMPO-NWDGAFQWSA-N 0 1 248.326 2.398 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000830573158 587559208 /nfs/dbraw/zinc/55/92/08/587559208.db2.gz CFWXQMCDKKUQNS-CYBMUJFWSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCCCN(C(=O)[O-])C2)c1 ZINC000830611586 587560224 /nfs/dbraw/zinc/56/02/24/587560224.db2.gz MQRCWAWEUJFILS-LLVKDONJSA-N 0 1 249.314 2.334 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)OC2(CCC2)C1 ZINC000830738962 587566084 /nfs/dbraw/zinc/56/60/84/587566084.db2.gz ANEINTLFABEVRE-GFCCVEGCSA-N 0 1 239.359 2.245 20 0 BEADMN C[N@@H+](Cc1ccc(Cl)nc1)C(C)(C)C(=O)[O-] ZINC000830825156 587571997 /nfs/dbraw/zinc/57/19/97/587571997.db2.gz CWIOUGWZXYZVLB-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)OC2CCCC2)CCN1C ZINC000831020849 587582822 /nfs/dbraw/zinc/58/28/22/587582822.db2.gz WNSLCOBVQDWSCM-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN CCn1cc([C@H](C)NC/C=C/Cl)cn1 ZINC000832310536 587653602 /nfs/dbraw/zinc/65/36/02/587653602.db2.gz UCXOIXDEWCMOOM-MOVJSRMASA-N 0 1 213.712 2.306 20 0 BEADMN CCN1CCN(C(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000832364167 587656476 /nfs/dbraw/zinc/65/64/76/587656476.db2.gz DGYRMEPMXRGCIA-LLVKDONJSA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)(C)C[C@@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000832727009 587680445 /nfs/dbraw/zinc/68/04/45/587680445.db2.gz ICIMVMYKPXPCBQ-WDEREUQCSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)(C)C[C@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000832727005 587680585 /nfs/dbraw/zinc/68/05/85/587680585.db2.gz ICIMVMYKPXPCBQ-GHMZBOCLSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1cc(C[N@H+](C)Cc2ccc[nH]2)oc1C(=O)[O-] ZINC000832882092 587694078 /nfs/dbraw/zinc/69/40/78/587694078.db2.gz YVEYYCXHAIGZND-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1cc(C[N@@H+](C)Cc2ccc[nH]2)oc1C(=O)[O-] ZINC000832882092 587694079 /nfs/dbraw/zinc/69/40/79/587694079.db2.gz YVEYYCXHAIGZND-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccc[nH]1 ZINC000833024426 587697466 /nfs/dbraw/zinc/69/74/66/587697466.db2.gz AFLLHPOMXYAZEE-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000833024426 587697468 /nfs/dbraw/zinc/69/74/68/587697468.db2.gz AFLLHPOMXYAZEE-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000833381852 587711772 /nfs/dbraw/zinc/71/17/72/587711772.db2.gz FLSOJIOSSOUUHO-RUYJGKKWSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccncc1)C(=O)[O-] ZINC000833385486 587712431 /nfs/dbraw/zinc/71/24/31/587712431.db2.gz VTLLNFIQLPWNFX-GXJZLWQJSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1c1ccncc1)C(=O)[O-] ZINC000833385488 587712641 /nfs/dbraw/zinc/71/26/41/587712641.db2.gz VTLLNFIQLPWNFX-VKUYVZBCSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000833386375 587713063 /nfs/dbraw/zinc/71/30/63/587713063.db2.gz OYFKCBUOHAJFLX-FWLQQBITSA-N 0 1 245.322 2.496 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000833553942 587719645 /nfs/dbraw/zinc/71/96/45/587719645.db2.gz IUQLJDYVURWBTA-NSHDSACASA-N 0 1 243.690 2.230 20 0 BEADMN C[C@H](c1ccco1)[N@@H+](C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550773 587719908 /nfs/dbraw/zinc/71/99/08/587719908.db2.gz XIMBNKHUUWCZFG-SECBINFHSA-N 0 1 248.282 2.499 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C(C)C)C2CC2)O1 ZINC000833578246 587721308 /nfs/dbraw/zinc/72/13/08/587721308.db2.gz TUOPAKWSRHSDPO-NSHDSACASA-N 0 1 239.315 2.007 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCCC2(C)C)O1 ZINC000833583541 587721472 /nfs/dbraw/zinc/72/14/72/587721472.db2.gz IZFWIWUEIOPTJX-SNVBAGLBSA-N 0 1 239.315 2.008 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)CC1 ZINC000833604948 587723846 /nfs/dbraw/zinc/72/38/46/587723846.db2.gz UVBLOQNTJOPPAR-XIVSLSHWSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833616189 587724326 /nfs/dbraw/zinc/72/43/26/587724326.db2.gz XGMDHBZRDJBWMT-SECBINFHSA-N 0 1 222.288 2.087 20 0 BEADMN COCCCCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000833724508 587729707 /nfs/dbraw/zinc/72/97/07/587729707.db2.gz FMPXMUNCWAIZET-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833793137 587732340 /nfs/dbraw/zinc/73/23/40/587732340.db2.gz AGWAPNOGAFRHCN-GHMZBOCLSA-N 0 1 228.336 2.153 20 0 BEADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1[C@H]1C=CCCC1 ZINC000833833501 587735313 /nfs/dbraw/zinc/73/53/13/587735313.db2.gz YRBJSOSPWDHZOC-UTUOFQBUSA-N 0 1 238.331 2.073 20 0 BEADMN O=C([O-])N[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000834182167 587748179 /nfs/dbraw/zinc/74/81/79/587748179.db2.gz LOVLQWVBCZRFEN-NWDGAFQWSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000834222439 587749361 /nfs/dbraw/zinc/74/93/61/587749361.db2.gz YIJKTRXGTPXTKP-RYUDHWBXSA-N 0 1 238.331 2.075 20 0 BEADMN Cc1cc(CC(=O)NCCC[C@@H]2C=CCC2)[nH]n1 ZINC000834331218 587752164 /nfs/dbraw/zinc/75/21/64/587752164.db2.gz SFUDMUJCXGFTKA-GFCCVEGCSA-N 0 1 247.342 2.123 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2cc(F)ncc2F)O1 ZINC000835087243 587781828 /nfs/dbraw/zinc/78/18/28/587781828.db2.gz OKCMLZXOLPJNDC-WPRPVWTQSA-N 0 1 242.269 2.017 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CC(F)(F)C1)N(C)C ZINC000835487048 587804658 /nfs/dbraw/zinc/80/46/58/587804658.db2.gz FMRMKURKFAPEAI-JTQLQIEISA-N 0 1 249.301 2.161 20 0 BEADMN CC[C@@H](C)[C@@H](CC)OC(=O)CCc1nc[nH]n1 ZINC000835588990 587808282 /nfs/dbraw/zinc/80/82/82/587808282.db2.gz MTDUCJCAUNISDA-NXEZZACHSA-N 0 1 239.319 2.105 20 0 BEADMN CS[C@@H](C)CCOC(=O)[C@H](C(C)C)N(C)C ZINC000835665222 587810817 /nfs/dbraw/zinc/81/08/17/587810817.db2.gz DWTKUPABCVYANI-QWRGUYRKSA-N 0 1 247.404 2.257 20 0 BEADMN Cc1nc2cccc(C(=O)NOC3CCC3)c2[nH]1 ZINC000836799335 587837359 /nfs/dbraw/zinc/83/73/59/587837359.db2.gz JRECPQKZJDFENR-UHFFFAOYSA-N 0 1 245.282 2.085 20 0 BEADMN CCC/C=C/C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836948965 587843466 /nfs/dbraw/zinc/84/34/66/587843466.db2.gz VAKSAQNOIOXHHD-XEHSLEBBSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C=C2CCC2)CC1 ZINC000837004884 587846919 /nfs/dbraw/zinc/84/69/19/587846919.db2.gz BZUHGWGMSHKPHC-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837003829 587847176 /nfs/dbraw/zinc/84/71/76/587847176.db2.gz AZHCUWDGJYNHKM-HHQWOOOKSA-N 0 1 238.375 2.285 20 0 BEADMN C=COc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000837762390 587894317 /nfs/dbraw/zinc/89/43/17/587894317.db2.gz XVXXPVHJOCCPRW-ZDUSSCGKSA-N 0 1 246.310 2.242 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C(C)(C)C(F)F)n[nH]1 ZINC000840536955 587910144 /nfs/dbraw/zinc/91/01/44/587910144.db2.gz GNWQVOLBHSFXHD-RXMQYKEDSA-N 0 1 247.245 2.009 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC000840581199 587912958 /nfs/dbraw/zinc/91/29/58/587912958.db2.gz BOAKPZCSGPTWPH-YUMQZZPRSA-N 0 1 237.303 2.154 20 0 BEADMN C[C@@H](NC[C@H]1CCC=CO1)c1cc2n(n1)CCC2 ZINC000840747775 587919479 /nfs/dbraw/zinc/91/94/79/587919479.db2.gz XSPOGDSQLVJBFS-DGCLKSJQSA-N 0 1 247.342 2.173 20 0 BEADMN CCn1ncc(-c2nc3ccc(C)c(C)c3[nH]2)n1 ZINC000840766384 587920209 /nfs/dbraw/zinc/92/02/09/587920209.db2.gz MORPSBMRKHADKE-UHFFFAOYSA-N 0 1 241.298 2.458 20 0 BEADMN CC1(CC(F)(F)F)CN(C[C@@H](O)C2CC2)C1 ZINC000840766224 587920356 /nfs/dbraw/zinc/92/03/56/587920356.db2.gz JNCUWLKCDBKQGL-SECBINFHSA-N 0 1 237.265 2.032 20 0 BEADMN Cc1nocc1CNc1nccn1C1CC1 ZINC000840887541 587928019 /nfs/dbraw/zinc/92/80/19/587928019.db2.gz ZDAXJPWKPMOCTH-UHFFFAOYSA-N 0 1 218.260 2.127 20 0 BEADMN C[C@@H]1CN(Cn2cc(Cl)cn2)[C@@H](C)[C@H]1C ZINC000841687809 587971995 /nfs/dbraw/zinc/97/19/95/587971995.db2.gz AKURARHNPGLGRQ-UTLUCORTSA-N 0 1 227.739 2.470 20 0 BEADMN CCC(N)=NOC[C@H](Cc1ccccc1)OC ZINC000842025315 587989840 /nfs/dbraw/zinc/98/98/40/587989840.db2.gz WLODUXXIVRUJPC-LBPRGKRZSA-N 0 1 236.315 2.153 20 0 BEADMN CC(C)[C@@H](F)c1nc(C2(N)CCCC2)no1 ZINC000842591942 588044786 /nfs/dbraw/zinc/04/47/86/588044786.db2.gz FPEBXSWLOUNTEF-MRVPVSSYSA-N 0 1 227.283 2.464 20 0 BEADMN CCC[C@@](C)(O)c1nc([C@@H](N)CC(C)C)no1 ZINC000842587078 588045069 /nfs/dbraw/zinc/04/50/69/588045069.db2.gz VLHXVBRDFUIYFE-JOYOIKCWSA-N 0 1 241.335 2.123 20 0 BEADMN CC(C)c1ocnc1-c1nc([C@H]2CCCN2)no1 ZINC000842642198 588048484 /nfs/dbraw/zinc/04/84/84/588048484.db2.gz ZHLBOQGSBVTJTP-MRVPVSSYSA-N 0 1 248.286 2.273 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@H](C)C2)on1 ZINC000842679976 588051542 /nfs/dbraw/zinc/05/15/42/588051542.db2.gz USIJOMJWQPTAON-ZJUUUORDSA-N 0 1 224.304 2.065 20 0 BEADMN CCCC[C@@](C)(CO)NCc1nc(C)cs1 ZINC000842745925 588058207 /nfs/dbraw/zinc/05/82/07/588058207.db2.gz IMRNIVKWTNERRO-LBPRGKRZSA-N 0 1 242.388 2.482 20 0 BEADMN CCCC[C@](C)(CO)NCc1nc(C)cs1 ZINC000842745917 588058265 /nfs/dbraw/zinc/05/82/65/588058265.db2.gz IMRNIVKWTNERRO-GFCCVEGCSA-N 0 1 242.388 2.482 20 0 BEADMN CNCc1nc(-c2cccc(CSC)c2)no1 ZINC000843183370 588090767 /nfs/dbraw/zinc/09/07/67/588090767.db2.gz CZBDQLIQWODYPC-UHFFFAOYSA-N 0 1 249.339 2.319 20 0 BEADMN CCNCc1nc(-c2cc(C)ccc2F)no1 ZINC000843215889 588092830 /nfs/dbraw/zinc/09/28/30/588092830.db2.gz DNDCNNJRLHICSR-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CCON(C(=O)c1ccc(F)cc1O)C(C)C ZINC000844078144 588160738 /nfs/dbraw/zinc/16/07/38/588160738.db2.gz QSNMETZFKUMSNQ-UHFFFAOYSA-N 0 1 241.262 2.333 20 0 BEADMN CCON(C(=O)[C@H]1CCCCN1CC)C(C)C ZINC000844077278 588160889 /nfs/dbraw/zinc/16/08/89/588160889.db2.gz GYHILJBOFLCWSA-GFCCVEGCSA-N 0 1 242.363 2.049 20 0 BEADMN CCCONC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000844087835 588165207 /nfs/dbraw/zinc/16/52/07/588165207.db2.gz FKEDKSUZVLCYIE-NSHDSACASA-N 0 1 249.310 2.183 20 0 BEADMN CCCONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000844088445 588165650 /nfs/dbraw/zinc/16/56/50/588165650.db2.gz PXGDBFXCBUQQPD-LBPRGKRZSA-N 0 1 247.294 2.205 20 0 BEADMN CCON(C(=O)c1cn[nH]c1C(C)C)C(C)C ZINC000844150818 588170971 /nfs/dbraw/zinc/17/09/71/588170971.db2.gz WJMBECVMWGFVCM-UHFFFAOYSA-N 0 1 239.319 2.335 20 0 BEADMN FC1(F)C[C@@]12CCCN(Cc1ncc[nH]1)C2 ZINC000844437010 588192768 /nfs/dbraw/zinc/19/27/68/588192768.db2.gz KLMHUZPRGJHGMK-SNVBAGLBSA-N 0 1 227.258 2.031 20 0 BEADMN FC1(F)C[C@]12CCCN(Cc1ccno1)C2 ZINC000844440324 588193950 /nfs/dbraw/zinc/19/39/50/588193950.db2.gz TZFYKUPVPCFRDP-JTQLQIEISA-N 0 1 228.242 2.296 20 0 BEADMN FC(F)(F)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450875 588195515 /nfs/dbraw/zinc/19/55/15/588195515.db2.gz MTSZKEIXBSBBKT-OLQVQODUSA-N 0 1 215.165 2.136 20 0 BEADMN CCCCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844470651 588198146 /nfs/dbraw/zinc/19/81/46/588198146.db2.gz PKBDISZKIRVPOM-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)=C(C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844642426 588212125 /nfs/dbraw/zinc/21/21/25/588212125.db2.gz IYLGIDCMYGFUIG-RAIGVLPGSA-N 0 1 238.375 2.282 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000844837854 588218337 /nfs/dbraw/zinc/21/83/37/588218337.db2.gz JYYWYKHACSVPKT-ZDUSSCGKSA-N 0 1 249.310 2.012 20 0 BEADMN C[C@@H](N[C@H]1CNc2ccccc2C1)c1ncc[nH]1 ZINC000844920052 588219168 /nfs/dbraw/zinc/21/91/68/588219168.db2.gz JBPVJZDRKDBHJJ-ZYHUDNBSSA-N 0 1 242.326 2.097 20 0 BEADMN CS[C@H](C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733679 588242731 /nfs/dbraw/zinc/24/27/31/588242731.db2.gz CSLKLBBIPXKRJI-ZJUUUORDSA-N 0 1 245.388 2.154 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845736021 588242944 /nfs/dbraw/zinc/24/29/44/588242944.db2.gz NXOOEPBTSMUTNT-OUAUKWLOSA-N 0 1 225.332 2.058 20 0 BEADMN COc1ccc(CN2CC[C@@H](OC)C2)c(F)c1 ZINC000845910350 588250366 /nfs/dbraw/zinc/25/03/66/588250366.db2.gz LVGQHAYUDFYAIV-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC=CO2)[C@H](C)CO1 ZINC000846043216 588254764 /nfs/dbraw/zinc/25/47/64/588254764.db2.gz JKVLQVIKLRKQGL-UPJWGTAASA-N 0 1 225.332 2.178 20 0 BEADMN Cc1occc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846114838 588257598 /nfs/dbraw/zinc/25/75/98/588257598.db2.gz XKTRDVRCOYSSJQ-AOOOYVTPSA-N 0 1 213.227 2.285 20 0 BEADMN CCOC(=O)CC(C)(C)C[N@H+]1CCC[C@@H](F)C1 ZINC000846121317 588258041 /nfs/dbraw/zinc/25/80/41/588258041.db2.gz YEDADCORUUUDCE-LLVKDONJSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)CC(C)(C)CN1CCC[C@@H](F)C1 ZINC000846121317 588258042 /nfs/dbraw/zinc/25/80/42/588258042.db2.gz YEDADCORUUUDCE-LLVKDONJSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)CC(C)(C)C[N@H+]1CCC[C@H](F)C1 ZINC000846121318 588258094 /nfs/dbraw/zinc/25/80/94/588258094.db2.gz YEDADCORUUUDCE-NSHDSACASA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)CC(C)(C)CN1CCC[C@H](F)C1 ZINC000846121318 588258095 /nfs/dbraw/zinc/25/80/95/588258095.db2.gz YEDADCORUUUDCE-NSHDSACASA-N 0 1 245.338 2.400 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@@H](C)C(C)(C)C1)C(=O)[O-] ZINC000846259241 588263139 /nfs/dbraw/zinc/26/31/39/588263139.db2.gz NHVFFTFDPYQQFD-GULOHRGCSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@]1(CCNC(=O)C(F)(F)F)C[C@@]1(F)Cl ZINC000846402785 588265345 /nfs/dbraw/zinc/26/53/45/588265345.db2.gz DXAWGRZLAMVFGZ-BQBZGAKWSA-N 0 1 247.619 2.370 20 0 BEADMN Cc1nsc(C)c1CN1CCOC[C@H](C)C1 ZINC000846834586 588291768 /nfs/dbraw/zinc/29/17/68/588291768.db2.gz PLHHICDTSPTWKX-SECBINFHSA-N 0 1 240.372 2.228 20 0 BEADMN COCC1(N(C)CC2(Br)CC2)CC1 ZINC000846836693 588292017 /nfs/dbraw/zinc/29/20/17/588292017.db2.gz HXAOBFOQBJCAOV-UHFFFAOYSA-N 0 1 248.164 2.025 20 0 BEADMN C[N@H+]1CCN(CCc2cccs2)CC1(C)C ZINC000846890383 588295395 /nfs/dbraw/zinc/29/53/95/588295395.db2.gz HJEDZEIRJKIKMR-UHFFFAOYSA-N 0 1 238.400 2.317 20 0 BEADMN C[N@H+]1CCN(Cc2cccs2)CC1(C)C ZINC000846890659 588295666 /nfs/dbraw/zinc/29/56/66/588295666.db2.gz VFRNIXYEOBEVAE-UHFFFAOYSA-N 0 1 224.373 2.274 20 0 BEADMN CON1CCN(CCCc2cccc(C)c2)CC1 ZINC000846978368 588299823 /nfs/dbraw/zinc/29/98/23/588299823.db2.gz LSFGVBQDTKWCNA-UHFFFAOYSA-N 0 1 248.370 2.107 20 0 BEADMN CON1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000846978885 588300133 /nfs/dbraw/zinc/30/01/33/588300133.db2.gz ZWCOMAGPLRAFSZ-ZDUSSCGKSA-N 0 1 234.343 2.235 20 0 BEADMN CC1(C)C[C@@H]1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013129 588347722 /nfs/dbraw/zinc/34/77/22/588347722.db2.gz TYGBLJTXRRQBMQ-SNVBAGLBSA-N 0 1 234.299 2.376 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccoc1 ZINC000848015903 588347804 /nfs/dbraw/zinc/34/78/04/588347804.db2.gz VVPUBVZXOOLLFK-UHFFFAOYSA-N 0 1 232.239 2.237 20 0 BEADMN Cc1c[nH]cc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848014687 588348013 /nfs/dbraw/zinc/34/80/13/588348013.db2.gz FSLZMBZUEVBLNQ-UHFFFAOYSA-N 0 1 245.282 2.281 20 0 BEADMN Cc1ccc(C)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000107654159 588392417 /nfs/dbraw/zinc/39/24/17/588392417.db2.gz BIJHYRAIJWRIIZ-VXGBXAGGSA-N 0 1 249.266 2.012 20 0 BEADMN Cn1c(Cl)ncc1CNCc1ccsc1 ZINC000848528644 588392984 /nfs/dbraw/zinc/39/29/84/588392984.db2.gz NXXKATLFRUTZEG-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ncc[nH]1 ZINC000848565671 588398481 /nfs/dbraw/zinc/39/84/81/588398481.db2.gz KXZLBOVYLSKOOT-DCAQKATOSA-N 0 1 237.347 2.406 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(COC)c2)no1 ZINC000848622675 588402301 /nfs/dbraw/zinc/40/23/01/588402301.db2.gz XCWHUHHCYWBYRE-SECBINFHSA-N 0 1 247.298 2.163 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(C)c2F)no1 ZINC000848626368 588402612 /nfs/dbraw/zinc/40/26/12/588402612.db2.gz BDDAPNXBKMYBEH-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN CCN(Cc1cnc(Cl)n1C)C1CC1 ZINC000848882066 588415998 /nfs/dbraw/zinc/41/59/98/588415998.db2.gz WUPWPROZGJXHRI-UHFFFAOYSA-N 0 1 213.712 2.058 20 0 BEADMN FC(F)(F)CNc1nnc(-c2ccc[nH]2)o1 ZINC000849162254 588458374 /nfs/dbraw/zinc/45/83/74/588458374.db2.gz ZFYVNGFQCHEOSS-UHFFFAOYSA-N 0 1 232.165 2.039 20 0 BEADMN CN(C)Cc1cnc(/C=C\c2cnccn2)s1 ZINC000849245367 588464810 /nfs/dbraw/zinc/46/48/10/588464810.db2.gz IENKKIGIHOIYSV-ARJAWSKDSA-N 0 1 246.339 2.165 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C=C2CCCC2)n[nH]1 ZINC000849706159 588488124 /nfs/dbraw/zinc/48/81/24/588488124.db2.gz JNFGNDZGIUFPTR-VIFPVBQESA-N 0 1 249.314 2.472 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)/C=C\C(C)C)n[nH]1 ZINC000849765154 588495399 /nfs/dbraw/zinc/49/53/99/588495399.db2.gz VWQRMKHFXOXQNW-ATJFRQLMSA-N 0 1 237.303 2.184 20 0 BEADMN C[C@@H](Cc1ccco1)NCc1cc2n(n1)CCC2 ZINC000850022099 588514748 /nfs/dbraw/zinc/51/47/48/588514748.db2.gz NPQNZJZRQJCXKD-NSHDSACASA-N 0 1 245.326 2.143 20 0 BEADMN CCc1cc(CNCc2nccn2C(C)C)n[nH]1 ZINC000850137125 588521143 /nfs/dbraw/zinc/52/11/43/588521143.db2.gz JGOPUIYPTGFOEX-UHFFFAOYSA-N 0 1 247.346 2.039 20 0 BEADMN C[C@H](NCc1ccnn1CC1CC1)c1ccc[nH]1 ZINC000850228274 588530533 /nfs/dbraw/zinc/53/05/33/588530533.db2.gz CHBSVOTVZLOGIS-NSHDSACASA-N 0 1 244.342 2.472 20 0 BEADMN CC1(C)C[C@@H](NCc2cccnc2Cl)CO1 ZINC000850341864 588537507 /nfs/dbraw/zinc/53/75/07/588537507.db2.gz NFZGOZXOHXLRGM-SNVBAGLBSA-N 0 1 240.734 2.392 20 0 BEADMN FC(F)(F)Cn1ccnc1CN[C@H]1C=CCC1 ZINC000850359118 588540019 /nfs/dbraw/zinc/54/00/19/588540019.db2.gz XCRUBHCADXCRTO-VIFPVBQESA-N 0 1 245.248 2.254 20 0 BEADMN CCc1nocc1CN[C@@H]1COC2(CCC2)C1 ZINC000850368910 588540932 /nfs/dbraw/zinc/54/09/32/588540932.db2.gz CQAJJCMTAXBHTL-NSHDSACASA-N 0 1 236.315 2.038 20 0 BEADMN O[C@H]1C[C@@H](NCC2(F)CC2)c2ccccc21 ZINC000850373629 588541830 /nfs/dbraw/zinc/54/18/30/588541830.db2.gz IEGNEULFFKAXLO-NEPJUHHUSA-N 0 1 221.275 2.257 20 0 BEADMN COc1cccc(CNCc2cncnc2)c1C ZINC000850416669 588545160 /nfs/dbraw/zinc/54/51/60/588545160.db2.gz NWJWNUUYBFJDIW-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CON(C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000850480260 588548942 /nfs/dbraw/zinc/54/89/42/588548942.db2.gz OEBGEKJWSOLYAJ-VIFPVBQESA-N 0 1 244.285 2.109 20 0 BEADMN CCc1nc(CNC2CC(CF)(CF)C2)co1 ZINC000850473525 588549070 /nfs/dbraw/zinc/54/90/70/588549070.db2.gz ZDVNGWOGLWBSRV-UHFFFAOYSA-N 0 1 244.285 2.414 20 0 BEADMN CCc1nc(CN[C@H](C)CSCCF)co1 ZINC000850471825 588549200 /nfs/dbraw/zinc/54/92/00/588549200.db2.gz CXHWRZWEEOVTLG-SECBINFHSA-N 0 1 246.351 2.418 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@@H](C)c1ncc[nH]1 ZINC000850494388 588552131 /nfs/dbraw/zinc/55/21/31/588552131.db2.gz OMFJSCMRYZGKCS-JQWIXIFHSA-N 0 1 237.347 2.266 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1C=CCC1 ZINC000850506192 588552576 /nfs/dbraw/zinc/55/25/76/588552576.db2.gz CHWIDRABYBCXFL-WDEREUQCSA-N 0 1 205.305 2.272 20 0 BEADMN CC[C@H](N[C@H]1C=CCC1)c1nccn1C ZINC000850506457 588553405 /nfs/dbraw/zinc/55/34/05/588553405.db2.gz BIEKWGIYBOSEGV-QWRGUYRKSA-N 0 1 205.305 2.179 20 0 BEADMN COC(=O)c1coc([C@H](C)N[C@H]2C=CCC2)c1 ZINC000850510000 588554490 /nfs/dbraw/zinc/55/44/90/588554490.db2.gz QPIOFOVQZXACME-ONGXEEELSA-N 0 1 235.283 2.435 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ncc[nH]1 ZINC000850534874 588558164 /nfs/dbraw/zinc/55/81/64/588558164.db2.gz OVTRAXWDFZWOBD-OUAUKWLOSA-N 0 1 223.320 2.018 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@H]2C)c1F ZINC000850536114 588558694 /nfs/dbraw/zinc/55/86/94/588558694.db2.gz CMPITSUYCJJERK-BDAKNGLRSA-N 0 1 224.279 2.117 20 0 BEADMN C[C@H](NC[C@@]1(C)CC1(F)F)c1ncc[nH]1 ZINC000850536522 588558890 /nfs/dbraw/zinc/55/88/90/588558890.db2.gz KUFCMBJFXDKHSM-IONNQARKSA-N 0 1 215.247 2.106 20 0 BEADMN CO[C@@H](CN[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000850560750 588560929 /nfs/dbraw/zinc/56/09/29/588560929.db2.gz GHFXMEJHWRXXFQ-PWSUYJOCSA-N 0 1 237.347 2.266 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C/C=C\Cl)C1CCC1 ZINC000851707565 588615511 /nfs/dbraw/zinc/61/55/11/588615511.db2.gz GICOSJGQAWMLRL-LBLVLHIFSA-N 0 1 217.696 2.067 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@@H]1COC(C)(C)O1 ZINC000851738056 588620737 /nfs/dbraw/zinc/62/07/37/588620737.db2.gz AGSDXXMCHCXPBH-WDEREUQCSA-N 0 1 239.315 2.424 20 0 BEADMN CC[C@H](C)[C@H](C)N(Cc1cnon1)C1CC1 ZINC000851753122 588623588 /nfs/dbraw/zinc/62/35/88/588623588.db2.gz OENOGQXSQDRPSC-UWVGGRQHSA-N 0 1 223.320 2.469 20 0 BEADMN COC[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851771512 588625516 /nfs/dbraw/zinc/62/55/16/588625516.db2.gz HVRUIRWHLXSFCW-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnon1 ZINC000851781386 588627403 /nfs/dbraw/zinc/62/74/03/588627403.db2.gz VXRCWJLSCVVUOH-PWSUYJOCSA-N 0 1 223.320 2.470 20 0 BEADMN CCC1CCC(N(C)Cc2cnon2)CC1 ZINC000851798141 588629671 /nfs/dbraw/zinc/62/96/71/588629671.db2.gz YUVVMTJMZGDYCA-UHFFFAOYSA-N 0 1 223.320 2.470 20 0 BEADMN CC[C@]1(C)CC[N@@H+](CCOC(F)F)C1 ZINC000851807581 588631675 /nfs/dbraw/zinc/63/16/75/588631675.db2.gz FQYIUOSXWWOELX-SNVBAGLBSA-N 0 1 207.264 2.348 20 0 BEADMN Cc1cccc(CN(C)CCOC(F)F)n1 ZINC000851847751 588634663 /nfs/dbraw/zinc/63/46/63/588634663.db2.gz HWRORROIAVQXPT-UHFFFAOYSA-N 0 1 230.258 2.061 20 0 BEADMN C[C@@H](c1ccccn1)N(C)CCOC(F)F ZINC000851872932 588637747 /nfs/dbraw/zinc/63/77/47/588637747.db2.gz NTKBNHFONLYOCA-VIFPVBQESA-N 0 1 230.258 2.314 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCCOC(F)F ZINC000851902912 588641983 /nfs/dbraw/zinc/64/19/83/588641983.db2.gz PROISCTVAXINPS-LURJTMIESA-N 0 1 234.246 2.181 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C[C@H]1F ZINC000851909376 588642365 /nfs/dbraw/zinc/64/23/65/588642365.db2.gz CZVPZUBSYMNDHX-IJLUTSLNSA-N 0 1 245.338 2.208 20 0 BEADMN C[C@@H](NCc1cnon1)[C@@H](C)c1ccccc1 ZINC000851909189 588642663 /nfs/dbraw/zinc/64/26/63/588642663.db2.gz YKQOKZJSMGNGGX-GHMZBOCLSA-N 0 1 231.299 2.351 20 0 BEADMN Cn1c(Cl)cnc1C[N@@H+](C)CC1CC=CC1 ZINC000851911292 588642686 /nfs/dbraw/zinc/64/26/86/588642686.db2.gz IJUTZBCTMGSWPR-UHFFFAOYSA-N 0 1 239.750 2.472 20 0 BEADMN CN(Cc1ncc(Cl)n1C)CC1CC=CC1 ZINC000851911292 588642687 /nfs/dbraw/zinc/64/26/87/588642687.db2.gz IJUTZBCTMGSWPR-UHFFFAOYSA-N 0 1 239.750 2.472 20 0 BEADMN Cc1cccc([C@H]2CCN(Cc3cnon3)C2)c1 ZINC000851925155 588644685 /nfs/dbraw/zinc/64/46/85/588644685.db2.gz UEOTZOPMEXGCRU-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN CC[C@@H](C)[C@@H](NCC1CC=CC1)C(=O)OC ZINC000851928793 588644987 /nfs/dbraw/zinc/64/49/87/588644987.db2.gz QHIHZRUWDMKSIH-ZYHUDNBSSA-N 0 1 225.332 2.130 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1cnon1 ZINC000851934660 588645552 /nfs/dbraw/zinc/64/55/52/588645552.db2.gz MTTPQZBIOFFHGX-LLVKDONJSA-N 0 1 209.293 2.224 20 0 BEADMN CO[C@H]1CN(Cc2cccc(F)n2)CC[C@H]1C ZINC000851971742 588649568 /nfs/dbraw/zinc/64/95/68/588649568.db2.gz SLVKKTJJHUJQPR-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@@]12CCN(CCOC(F)F)C[C@@H]1C2(F)F ZINC000852075091 588659815 /nfs/dbraw/zinc/65/98/15/588659815.db2.gz JJKUPSFCCHTNPH-IONNQARKSA-N 0 1 241.228 2.203 20 0 BEADMN CN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC(C)(C)OC1=O ZINC000852078582 588660203 /nfs/dbraw/zinc/66/02/03/588660203.db2.gz DXBVLYPUXQJHSA-WRWGMCAJSA-N 0 1 237.343 2.058 20 0 BEADMN Cc1ccoc1CN(C)C[C@@H]1COC(C)(C)O1 ZINC000852077418 588660447 /nfs/dbraw/zinc/66/04/47/588660447.db2.gz UOPDABAIBPABIE-LLVKDONJSA-N 0 1 239.315 2.171 20 0 BEADMN C[C@H](NCc1cnon1)[C@H]1CCC[C@@H](C)C1 ZINC000852150533 588667718 /nfs/dbraw/zinc/66/77/18/588667718.db2.gz ZHBDIVDLVQVBCJ-VWYCJHECSA-N 0 1 223.320 2.374 20 0 BEADMN C[C@H](NCc1cnon1)[C@H]1CCC[C@H](C)C1 ZINC000852150530 588667727 /nfs/dbraw/zinc/66/77/27/588667727.db2.gz ZHBDIVDLVQVBCJ-DCAQKATOSA-N 0 1 223.320 2.374 20 0 BEADMN C[C@H]1[C@@H](CO)CCCN1CC=C(Cl)Cl ZINC000852178464 588669567 /nfs/dbraw/zinc/66/95/67/588669567.db2.gz VEKQNGMCUWGNCQ-DTWKUNHWSA-N 0 1 238.158 2.398 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@H]1CC1(Cl)Cl ZINC000852285079 588675606 /nfs/dbraw/zinc/67/56/06/588675606.db2.gz ZJDVJNQCFUWWNU-ZETCQYMHSA-N 0 1 234.130 2.035 20 0 BEADMN CCOC(=O)[C@@]1(F)C[N@H+](C(C)C)CC12CCC2 ZINC000852318659 588678083 /nfs/dbraw/zinc/67/80/83/588678083.db2.gz VAVDWHRPWVGURV-ZDUSSCGKSA-N 0 1 243.322 2.152 20 0 BEADMN CCOC(=O)[C@@]1(F)CN(C(C)C)CC12CCC2 ZINC000852318659 588678084 /nfs/dbraw/zinc/67/80/84/588678084.db2.gz VAVDWHRPWVGURV-ZDUSSCGKSA-N 0 1 243.322 2.152 20 0 BEADMN COCCN(CCF)CCC=C(C)C ZINC000852479949 588683859 /nfs/dbraw/zinc/68/38/59/588683859.db2.gz KZKUHDPDYWPYAC-UHFFFAOYSA-N 0 1 203.301 2.261 20 0 BEADMN COCCN(CCF)[C@@H]1C=CCCC1 ZINC000852483098 588684552 /nfs/dbraw/zinc/68/45/52/588684552.db2.gz AJVUAHMREQMSTP-LLVKDONJSA-N 0 1 201.285 2.013 20 0 BEADMN COCCN(CCF)CCCOC(C)(C)C ZINC000852484093 588685037 /nfs/dbraw/zinc/68/50/37/588685037.db2.gz WOCFPJKUEDFADL-UHFFFAOYSA-N 0 1 235.343 2.110 20 0 BEADMN COC(=O)[C@@H]1CCN(CCF)[C@@H]2CCCC[C@@H]12 ZINC000852496247 588685927 /nfs/dbraw/zinc/68/59/27/588685927.db2.gz NGZLVCPLXHVPJW-QJPTWQEYSA-N 0 1 243.322 2.010 20 0 BEADMN CCC1(CC)CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000852527055 588687547 /nfs/dbraw/zinc/68/75/47/588687547.db2.gz BCYDMAGYRPVHNA-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCC1(CC)CCCN([C@H]2CCOC2=O)C1 ZINC000852527055 588687548 /nfs/dbraw/zinc/68/75/48/588687548.db2.gz BCYDMAGYRPVHNA-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCC1(CC)CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000852527054 588687916 /nfs/dbraw/zinc/68/79/16/588687916.db2.gz BCYDMAGYRPVHNA-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCC1(CC)CCCN([C@@H]2CCOC2=O)C1 ZINC000852527054 588687917 /nfs/dbraw/zinc/68/79/17/588687917.db2.gz BCYDMAGYRPVHNA-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN O[C@@H]1C[C@H](NC/C(Cl)=C\Cl)C12CCC2 ZINC000852583806 588691938 /nfs/dbraw/zinc/69/19/38/588691938.db2.gz DCFWYAMVIFPCLC-KSOOHAFHSA-N 0 1 236.142 2.199 20 0 BEADMN CC(=O)CC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654359 588693966 /nfs/dbraw/zinc/69/39/66/588693966.db2.gz IOCSVMXAHOIPIN-OAHLLOKOSA-N 0 1 246.354 2.176 20 0 BEADMN ClC(Cl)=CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664081 588694524 /nfs/dbraw/zinc/69/45/24/588694524.db2.gz BTNSPLNXSQNGAG-RKDXNWHRSA-N 0 1 236.142 2.274 20 0 BEADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cnn(CC)n1 ZINC000852712261 588697182 /nfs/dbraw/zinc/69/71/82/588697182.db2.gz MPGJHGCBLNHJIB-WCQYABFASA-N 0 1 236.363 2.451 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1cnn(CC)n1 ZINC000852712261 588697183 /nfs/dbraw/zinc/69/71/83/588697183.db2.gz MPGJHGCBLNHJIB-WCQYABFASA-N 0 1 236.363 2.451 20 0 BEADMN CC[N@@H+](Cc1ccnc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000852729218 588698177 /nfs/dbraw/zinc/69/81/77/588698177.db2.gz AMJWMBUUJYEZGY-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CC[N@@H+](Cc1ccc2c(c1)COC2)[C@H](C)C(=O)[O-] ZINC000852729252 588698595 /nfs/dbraw/zinc/69/85/95/588698595.db2.gz BSVSVJQNNNWIDK-SNVBAGLBSA-N 0 1 249.310 2.012 20 0 BEADMN CC[N@@H+](Cc1ccc(Cl)nc1)[C@@H](C)C(=O)[O-] ZINC000852737871 588698637 /nfs/dbraw/zinc/69/86/37/588698637.db2.gz YGGDCJNRXOOQAA-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC2CC1(C)C2 ZINC000852786728 588702536 /nfs/dbraw/zinc/70/25/36/588702536.db2.gz ZUMMWFIAFACPRZ-ZBOXLXRLSA-N 0 1 225.332 2.203 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000852788152 588702810 /nfs/dbraw/zinc/70/28/10/588702810.db2.gz ZFLMJNKISVVCPV-JSGCOSHPSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@H](CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccco1 ZINC000860892906 589126266 /nfs/dbraw/zinc/12/62/66/589126266.db2.gz ZFWIMMGBPVESJP-BDAKNGLRSA-N 0 1 249.270 2.196 20 0 BEADMN CC(C)CC1(C(=O)OCCN2CCC2)CCC1 ZINC000861387238 589162597 /nfs/dbraw/zinc/16/25/97/589162597.db2.gz BNQZYNOOCSWPNN-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN Cc1ccc(C)c(CC(=O)OCCN2CCC2)c1 ZINC000861386765 589162636 /nfs/dbraw/zinc/16/26/36/589162636.db2.gz NWPOWNQKUWHQJB-UHFFFAOYSA-N 0 1 247.338 2.095 20 0 BEADMN CCC1(C(=O)OCCN2CCC2)CCCC1 ZINC000861387632 589163086 /nfs/dbraw/zinc/16/30/86/589163086.db2.gz JDKVJEUMFLJRNV-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CC1(C)CC[C@@H](C(=O)OCCN2CCC2)C1 ZINC000861389093 589163731 /nfs/dbraw/zinc/16/37/31/589163731.db2.gz XGVBCRSKNVSBFQ-LLVKDONJSA-N 0 1 225.332 2.062 20 0 BEADMN CC1(C)CC=C(C(=O)OCCN2CCC2)CC1 ZINC000861390586 589164023 /nfs/dbraw/zinc/16/40/23/589164023.db2.gz IIKAPLPTZGVNEB-UHFFFAOYSA-N 0 1 237.343 2.372 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1CCCC2(CC2)C1 ZINC000861390222 589164120 /nfs/dbraw/zinc/16/41/20/589164120.db2.gz LMOJAJIGCTUAEA-LBPRGKRZSA-N 0 1 237.343 2.206 20 0 BEADMN CC(C)(C(=O)OCCN1CCC1)C1CCC1 ZINC000861390817 589164366 /nfs/dbraw/zinc/16/43/66/589164366.db2.gz MHVXTQGAMHXRPT-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861391189 589164374 /nfs/dbraw/zinc/16/43/74/589164374.db2.gz QBJXZOJCSXPTEB-RYUDHWBXSA-N 0 1 225.332 2.062 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCc2nc[nH]c2C1 ZINC000861760091 589177043 /nfs/dbraw/zinc/17/70/43/589177043.db2.gz TYBLYCQHZYASQF-YFHOEESVSA-N 0 1 233.315 2.041 20 0 BEADMN COC1CCN(Cc2ccnc(F)c2C)CC1 ZINC000862214822 589194824 /nfs/dbraw/zinc/19/48/24/589194824.db2.gz AKGGFQJDLTXLHO-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1ncc(CN2CCC(c3cn[nH]c3)CC2)o1 ZINC000862232418 589195645 /nfs/dbraw/zinc/19/56/45/589195645.db2.gz XWANXOCMEZWCCA-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1c(F)nccc1CN[C@H](C)c1cnn(C)c1 ZINC000862280572 589199367 /nfs/dbraw/zinc/19/93/67/589199367.db2.gz MMCRQERIYRWYRC-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1c(CN2CCCSCC2)ccnc1F ZINC000862301309 589200672 /nfs/dbraw/zinc/20/06/72/589200672.db2.gz FBORYRRVOWAYBV-UHFFFAOYSA-N 0 1 240.347 2.468 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@@H](O)c2ccccc2)o1 ZINC000862368399 589205151 /nfs/dbraw/zinc/20/51/51/589205151.db2.gz HBFUIURPCMMEPP-IINYFYTJSA-N 0 1 246.310 2.195 20 0 BEADMN CCOC(=O)C1=CC[C@@H](NCc2ccco2)C1 ZINC000862486198 589216912 /nfs/dbraw/zinc/21/69/12/589216912.db2.gz AVNHONNHRKPWBM-LLVKDONJSA-N 0 1 235.283 2.021 20 0 BEADMN CC[C@H]1C[C@H](CN2CC3(C2)CCCO3)CCO1 ZINC000862484666 589216975 /nfs/dbraw/zinc/21/69/75/589216975.db2.gz YPDBBMVVZVAIIT-OLZOCXBDSA-N 0 1 239.359 2.056 20 0 BEADMN CCOC(=O)C1=CC[C@H](NCc2ccco2)C1 ZINC000862486200 589217067 /nfs/dbraw/zinc/21/70/67/589217067.db2.gz AVNHONNHRKPWBM-NSHDSACASA-N 0 1 235.283 2.021 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N(C1CC1)C1CC1 ZINC000862852015 589243839 /nfs/dbraw/zinc/24/38/39/589243839.db2.gz CCYDIGPHPZFORP-UHFFFAOYSA-N 0 1 231.299 2.054 20 0 BEADMN CC[C@@H]1CCN(Cn2c3ccccc3oc2=O)C1 ZINC000119452079 589288284 /nfs/dbraw/zinc/28/82/84/589288284.db2.gz GECVPVMOQOBRCU-LLVKDONJSA-N 0 1 246.310 2.284 20 0 BEADMN CCC(N)=NOC[C@@H](OC)c1ccc(F)cc1 ZINC000863455273 589289221 /nfs/dbraw/zinc/28/92/21/589289221.db2.gz CAXOJOSZUJWUFY-LLVKDONJSA-N 0 1 240.278 2.422 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H]2CCC[C@@H]21 ZINC000863476028 589291702 /nfs/dbraw/zinc/29/17/02/589291702.db2.gz SRTKDCHBOZMUDL-ZXWYBBRJSA-N 0 1 243.734 2.314 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CCN1c1cc[nH+]cc1Cl ZINC000863479813 589292854 /nfs/dbraw/zinc/29/28/54/589292854.db2.gz ZSHKMECKRHRCRL-YUMQZZPRSA-N 0 1 240.690 2.034 20 0 BEADMN CCN[C@@H](C)c1nc(-c2nc(C)cs2)no1 ZINC000863661239 589308752 /nfs/dbraw/zinc/30/87/52/589308752.db2.gz KOPARPZGLMCFMH-ZETCQYMHSA-N 0 1 238.316 2.172 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(C)o2)no1 ZINC000863671431 589309720 /nfs/dbraw/zinc/30/97/20/589309720.db2.gz ZQFZDAXQSMBWAL-MRVPVSSYSA-N 0 1 221.260 2.309 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cc(CC)ccn2)no1 ZINC000863673173 589309897 /nfs/dbraw/zinc/30/98/97/589309897.db2.gz PZEWVCYFPJEPTM-VIFPVBQESA-N 0 1 246.314 2.365 20 0 BEADMN CCN[C@@H](C)c1nc(-c2c(C)noc2C)no1 ZINC000863676627 589310036 /nfs/dbraw/zinc/31/00/36/589310036.db2.gz BLNVCTOLTRAMCC-ZETCQYMHSA-N 0 1 236.275 2.012 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ncc(C)s2)no1 ZINC000863677783 589310279 /nfs/dbraw/zinc/31/02/79/589310279.db2.gz LCYDIURLFZKZGG-ZETCQYMHSA-N 0 1 238.316 2.172 20 0 BEADMN CC1(C)CCC(C)(NC(=O)Cc2cnc[nH]2)CC1 ZINC000864064363 589337385 /nfs/dbraw/zinc/33/73/85/589337385.db2.gz UKZHLBCCPIGGKG-UHFFFAOYSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H]1C[C@H](CNC(=O)Cc2cnc[nH]2)C[C@@H](C)C1 ZINC000864066940 589338202 /nfs/dbraw/zinc/33/82/02/589338202.db2.gz DFVPHLWLYQXBBE-GDNZZTSVSA-N 0 1 249.358 2.141 20 0 BEADMN C[C@H]1CC(CNC(=O)Cc2cnc[nH]2)C[C@H](C)C1 ZINC000864066941 589338421 /nfs/dbraw/zinc/33/84/21/589338421.db2.gz DFVPHLWLYQXBBE-GHMZBOCLSA-N 0 1 249.358 2.141 20 0 BEADMN CC1CC(CNC(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000864074513 589340091 /nfs/dbraw/zinc/34/00/91/589340091.db2.gz WXHMGFSNLGLTFR-MCIGGMRASA-N 0 1 238.375 2.022 20 0 BEADMN CC/C=C(/F)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000864083382 589342133 /nfs/dbraw/zinc/34/21/33/589342133.db2.gz DHYRMNQJPHHNSO-CDFAJLSASA-N 0 1 242.338 2.191 20 0 BEADMN CCn1ncnc1-c1ccc(F)c(CN(C)C)c1 ZINC000864543338 589377390 /nfs/dbraw/zinc/37/73/90/589377390.db2.gz TZWYTDOJRKVXLI-UHFFFAOYSA-N 0 1 248.305 2.166 20 0 BEADMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC000120215084 589393001 /nfs/dbraw/zinc/39/30/01/589393001.db2.gz VUPOQJINTOHZLR-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CC/C=C(/F)C(=O)Nc1c(C)n[nH]c1C ZINC000864899771 589400260 /nfs/dbraw/zinc/40/02/60/589400260.db2.gz PVLOKDXLRIYPJP-VMPITWQZSA-N 0 1 211.240 2.228 20 0 BEADMN FC(F)(F)c1cnccc1NC[C@H]1CCCO1 ZINC000865397241 589431729 /nfs/dbraw/zinc/43/17/29/589431729.db2.gz BCARMPZRWHWIPM-MRVPVSSYSA-N 0 1 246.232 2.113 20 0 BEADMN FC(F)(F)c1cnccc1N1CCC1 ZINC000865426111 589434924 /nfs/dbraw/zinc/43/49/24/589434924.db2.gz BTDPCPLLFHYTAH-UHFFFAOYSA-N 0 1 202.179 2.311 20 0 BEADMN Cc1cc(CNC[C@H](O)c2cccc(C)c2)on1 ZINC000865495831 589441279 /nfs/dbraw/zinc/44/12/79/589441279.db2.gz QBGQLWRBAJAICP-AWEZNQCLSA-N 0 1 246.310 2.115 20 0 BEADMN C[C@@H]1C[C@H]1Nc1ccncc1C(F)(F)F ZINC000865504476 589441665 /nfs/dbraw/zinc/44/16/65/589441665.db2.gz PRTUNMFAJUWGNX-HZGVNTEJSA-N 0 1 216.206 2.343 20 0 BEADMN CC[C@H](CCO)Nc1ccncc1C(F)(F)F ZINC000865555178 589446456 /nfs/dbraw/zinc/44/64/56/589446456.db2.gz WBZWMICHCDHOAM-MRVPVSSYSA-N 0 1 248.248 2.095 20 0 BEADMN CC1(C)SC[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865559401 589446577 /nfs/dbraw/zinc/44/65/77/589446577.db2.gz ZZNAKOSYYIZOHG-NSHDSACASA-N 0 1 237.372 2.202 20 0 BEADMN COC(C)(C)CNc1ccncc1C(F)(F)F ZINC000865563136 589446852 /nfs/dbraw/zinc/44/68/52/589446852.db2.gz BXWHTURVKFYNBL-UHFFFAOYSA-N 0 1 248.248 2.359 20 0 BEADMN CCOCC(C)(C)NCc1cn(C2CC2)cn1 ZINC000865579964 589448326 /nfs/dbraw/zinc/44/83/26/589448326.db2.gz NEVMYGSNQCYELZ-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@@](C)(CNCc1cn(C2CC2)cn1)OC ZINC000865588202 589448987 /nfs/dbraw/zinc/44/89/87/589448987.db2.gz YDZFPPUIEQGTLC-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN O=c1[nH]ccc2oc(CN[C@H]3CC34CC4)cc21 ZINC000865609481 589450873 /nfs/dbraw/zinc/45/08/73/589450873.db2.gz NDDUVAPRBQROCZ-NSHDSACASA-N 0 1 230.267 2.176 20 0 BEADMN C[C@H](COCC1CC1)NCc1cn(C2CC2)cn1 ZINC000865615787 589451585 /nfs/dbraw/zinc/45/15/85/589451585.db2.gz LXLXNOYBURFRLH-LLVKDONJSA-N 0 1 249.358 2.123 20 0 BEADMN c1nc(CN[C@H]2COC3(CCC3)C2)cn1C1CC1 ZINC000865626271 589452052 /nfs/dbraw/zinc/45/20/52/589452052.db2.gz LTEPNMJGYBMORY-LLVKDONJSA-N 0 1 247.342 2.019 20 0 BEADMN C[C@]1(CNCc2cn(C3CC3)cn2)CC1(F)F ZINC000865628067 589452804 /nfs/dbraw/zinc/45/28/04/589452804.db2.gz PICDUGREULSXBH-LLVKDONJSA-N 0 1 241.285 2.353 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865643938 589454101 /nfs/dbraw/zinc/45/41/01/589454101.db2.gz VDJHOOQQXCBTMV-DEKYYXRVSA-N 0 1 249.358 2.120 20 0 BEADMN C[C@H](O)C[C@H](C)Nc1ccncc1C(F)(F)F ZINC000865669863 589455359 /nfs/dbraw/zinc/45/53/59/589455359.db2.gz LQIDWLASXWNDHX-YUMQZZPRSA-N 0 1 248.248 2.094 20 0 BEADMN F[C@@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000865698979 589457086 /nfs/dbraw/zinc/45/70/86/589457086.db2.gz JSIKTKYBEFJCRW-NEPJUHHUSA-N 0 1 208.280 2.452 20 0 BEADMN CCn1cc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC000865699639 589457194 /nfs/dbraw/zinc/45/71/94/589457194.db2.gz XSVYNGHPDRASRJ-NWDGAFQWSA-N 0 1 225.311 2.273 20 0 BEADMN CCn1ncc(CN[C@H](C)[C@]23C[C@H]2CCCC3)n1 ZINC000865704211 589457392 /nfs/dbraw/zinc/45/73/92/589457392.db2.gz PZECLCKADXGZEJ-BZPMIXESSA-N 0 1 248.374 2.356 20 0 BEADMN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ncc[nH]1 ZINC000865832879 589463856 /nfs/dbraw/zinc/46/38/56/589463856.db2.gz ZXZTXGVINJRNSH-RKDXNWHRSA-N 0 1 245.248 2.396 20 0 BEADMN Cc1c[nH]c(CNC2([C@H]3CCCCO3)CCC2)n1 ZINC000865856340 589465201 /nfs/dbraw/zinc/46/52/01/589465201.db2.gz GKXCLUFYPLNDIM-GFCCVEGCSA-N 0 1 249.358 2.300 20 0 BEADMN Cn1ccc(CNC2([C@@H]3CCCCO3)CCC2)n1 ZINC000865856375 589465262 /nfs/dbraw/zinc/46/52/62/589465262.db2.gz HBSBCLQZDZIGNY-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN Cc1cc(CNCC[C@H](O)C2CCCC2)on1 ZINC000865876421 589467064 /nfs/dbraw/zinc/46/70/64/589467064.db2.gz JFPLLKFZXRQJFI-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN C[C@H]1C[C@H](Nc2ccncc2C(F)(F)F)CO1 ZINC000865902275 589467984 /nfs/dbraw/zinc/46/79/84/589467984.db2.gz SLXQGBKXXLSIHL-YUMQZZPRSA-N 0 1 246.232 2.112 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)C[C@H](C)O1 ZINC000120932133 589478884 /nfs/dbraw/zinc/47/88/84/589478884.db2.gz NOKWYJFVQQSXGW-PHIMTYICSA-N 0 1 225.357 2.400 20 0 BEADMN Cc1cc([C@@H](C)NCC(C)(C)F)n(C)n1 ZINC000866410270 589491361 /nfs/dbraw/zinc/49/13/61/589491361.db2.gz ZLAKQCWQXWZBJM-SECBINFHSA-N 0 1 213.300 2.127 20 0 BEADMN CN1CCC[C@@H](NC(=O)OC2CCCCC2)C1 ZINC000866577379 589501109 /nfs/dbraw/zinc/50/11/09/589501109.db2.gz NNVANSMCUXBCRN-LLVKDONJSA-N 0 1 240.347 2.140 20 0 BEADMN CCCONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000869085259 589586642 /nfs/dbraw/zinc/58/66/42/589586642.db2.gz ZMGXNQMQRUMERL-NSHDSACASA-N 0 1 239.702 2.438 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@]23C[C@@H]2CCCC3)n[nH]1 ZINC000869702984 589623468 /nfs/dbraw/zinc/62/34/68/589623468.db2.gz YYPITTDDVCTDAO-FWDPORAESA-N 0 1 249.314 2.298 20 0 BEADMN CCSCCN(C)Cc1c(C)noc1C ZINC000122761065 589630728 /nfs/dbraw/zinc/63/07/28/589630728.db2.gz WQTMLUQQBOIZPV-UHFFFAOYSA-N 0 1 228.361 2.476 20 0 BEADMN C[C@H](CCO)N[C@H](C)c1c(F)cccc1F ZINC000122868665 589640411 /nfs/dbraw/zinc/64/04/11/589640411.db2.gz ZWXNNTRMGNGJSM-RKDXNWHRSA-N 0 1 229.270 2.386 20 0 BEADMN COC(=O)C[C@H]1CCCCN1C/C=C\Cl ZINC000208719593 589719663 /nfs/dbraw/zinc/71/96/63/589719663.db2.gz YLWCBZNSYURSED-AYYIZTPMSA-N 0 1 231.723 2.157 20 0 BEADMN CCC(N)=NOCc1scnc1Cl ZINC000871727217 589798720 /nfs/dbraw/zinc/79/87/20/589798720.db2.gz BLWDUJKPGNQFPA-UHFFFAOYSA-N 0 1 219.697 2.205 20 0 BEADMN C[C@@H](COCCc1c[nH]nn1)C(C)(C)C ZINC000871751953 589805528 /nfs/dbraw/zinc/80/55/28/589805528.db2.gz CJTPQNUIQZWAFZ-VIFPVBQESA-N 0 1 211.309 2.046 20 0 BEADMN Cc1cc(F)ncc1-c1nc([C@@H]2CCCN2)no1 ZINC000871788054 589819091 /nfs/dbraw/zinc/81/90/91/589819091.db2.gz FGTNQZCXHUMMCR-VIFPVBQESA-N 0 1 248.261 2.004 20 0 BEADMN Cc1cnc(F)c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000871788220 589819107 /nfs/dbraw/zinc/81/91/07/589819107.db2.gz HSGYWISFYPFMPA-SECBINFHSA-N 0 1 248.261 2.004 20 0 BEADMN c1cc(NCc2cncnc2)nc2c1CCCC2 ZINC000871865616 589827129 /nfs/dbraw/zinc/82/71/29/589827129.db2.gz MGTJRHALSZHJFD-UHFFFAOYSA-N 0 1 240.310 2.363 20 0 BEADMN CC(C)CCc1cc(=O)n(C2CCOCC2)[nH]1 ZINC000871951005 589840259 /nfs/dbraw/zinc/84/02/59/589840259.db2.gz MXWYGTRBZIVGIY-UHFFFAOYSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@H]1CCC2=NN(c3cccc(F)n3)C(=O)[C@@H]2C1 ZINC000871952967 589841390 /nfs/dbraw/zinc/84/13/90/589841390.db2.gz WOSISEOSWCYNMC-DTWKUNHWSA-N 0 1 247.273 2.360 20 0 BEADMN COC[C@H](C)n1[nH]c(CCC(C)C)cc1=O ZINC000871954871 589842724 /nfs/dbraw/zinc/84/27/24/589842724.db2.gz ONBGNRSVDDBGBQ-JTQLQIEISA-N 0 1 226.320 2.046 20 0 BEADMN CC(C)CCc1cc(=O)n([C@@H]2CCCOC2)[nH]1 ZINC000871957567 589843570 /nfs/dbraw/zinc/84/35/70/589843570.db2.gz ICGVJLPCCKOVJQ-GFCCVEGCSA-N 0 1 238.331 2.190 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1[C@@H]1CCSC1 ZINC000871958700 589844147 /nfs/dbraw/zinc/84/41/47/589844147.db2.gz FHTSKHBJRJEJRG-SNVBAGLBSA-N 0 1 238.356 2.270 20 0 BEADMN CCc1cc(=O)n(C[C@H]2CCCC2(F)F)[nH]1 ZINC000871963223 589847648 /nfs/dbraw/zinc/84/76/48/589847648.db2.gz MINBWNJLLDUFEC-MRVPVSSYSA-N 0 1 230.258 2.420 20 0 BEADMN CC[C@H](NCc1ncn(C)n1)C(C)(C)CC ZINC000872054081 589861723 /nfs/dbraw/zinc/86/17/23/589861723.db2.gz OZIHMRNIDIWEQA-JTQLQIEISA-N 0 1 224.352 2.120 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(O)ccc1F ZINC000872082182 589866524 /nfs/dbraw/zinc/86/65/24/589866524.db2.gz REYMXEOYBOGZBO-KXUCPTDWSA-N 0 1 239.290 2.359 20 0 BEADMN CC1(C)CO[C@@H](CN[C@H]2CCCn3ccnc32)C1 ZINC000872105540 589872066 /nfs/dbraw/zinc/87/20/66/589872066.db2.gz KQDWIMLNCAGZKU-NEPJUHHUSA-N 0 1 249.358 2.123 20 0 BEADMN CC1(C)CO[C@H](CN[C@H]2CCCn3ccnc32)C1 ZINC000872105544 589872393 /nfs/dbraw/zinc/87/23/93/589872393.db2.gz KQDWIMLNCAGZKU-RYUDHWBXSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ncc[nH]1 ZINC000872107669 589873198 /nfs/dbraw/zinc/87/31/98/589873198.db2.gz OFAVROGEODDIMJ-BJDJZHNGSA-N 0 1 235.331 2.018 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ncc[nH]1 ZINC000872107767 589873707 /nfs/dbraw/zinc/87/37/07/589873707.db2.gz OFAVROGEODDIMJ-USZNOCQGSA-N 0 1 235.331 2.018 20 0 BEADMN Cc1nonc1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000872136356 589879086 /nfs/dbraw/zinc/87/90/86/589879086.db2.gz NCJBVHYGNFGXGT-UWVGGRQHSA-N 0 1 223.320 2.292 20 0 BEADMN COCC[N@@H+](CCC(=O)[O-])C[C@@H](C)C(C)(C)C ZINC000872159340 589885945 /nfs/dbraw/zinc/88/59/45/589885945.db2.gz DEEYOAUJPWFABE-LLVKDONJSA-N 0 1 245.363 2.092 20 0 BEADMN Cc1ccc(C[N@@H+]2CC=CCC2)cc1C(=O)[O-] ZINC000872157841 589886284 /nfs/dbraw/zinc/88/62/84/589886284.db2.gz VBDKNFPPFYXLBQ-UHFFFAOYSA-N 0 1 231.295 2.455 20 0 BEADMN C[C@@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872551964 589949722 /nfs/dbraw/zinc/94/97/22/589949722.db2.gz OBZULTDNYRTIMH-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1N(CN2CCC3(CCC3)C2)CCC12CCC2 ZINC000872590572 589954846 /nfs/dbraw/zinc/95/48/46/589954846.db2.gz JXLSCRQUANOBMB-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN Cc1ccnc(NCCC[C@H]2CCOC2=O)c1 ZINC000872704214 589963467 /nfs/dbraw/zinc/96/34/67/589963467.db2.gz WAMZKQZVLGTXAD-NSHDSACASA-N 0 1 234.299 2.145 20 0 BEADMN O=C1CCN1CN1CCC[C@H](C2CCC2)CC1 ZINC000872703424 589963667 /nfs/dbraw/zinc/96/36/67/589963667.db2.gz UXQKIIWCSCNNHD-ZDUSSCGKSA-N 0 1 236.359 2.078 20 0 BEADMN CCOc1cccc(F)c1CNCC[C@@H](C)O ZINC000873050133 589981429 /nfs/dbraw/zinc/98/14/29/589981429.db2.gz KPVWDAPBFJKNJV-SNVBAGLBSA-N 0 1 241.306 2.085 20 0 BEADMN C[C@@](O)(CCNCc1ccon1)c1ccccc1 ZINC000873109689 589984718 /nfs/dbraw/zinc/98/47/18/589984718.db2.gz BDRMJAUZFJCHJP-CQSZACIVSA-N 0 1 246.310 2.062 20 0 BEADMN CCOc1cccc(F)c1CNC[C@H](C)OC ZINC000873111929 589985038 /nfs/dbraw/zinc/98/50/38/589985038.db2.gz KCCOXDOZFWPEES-JTQLQIEISA-N 0 1 241.306 2.349 20 0 BEADMN C[C@@](O)(CNCc1ccon1)C1CCCCC1 ZINC000873114029 589985121 /nfs/dbraw/zinc/98/51/21/589985121.db2.gz RYGKAOILNRZWJO-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN C[C@@H](NCc1ccon1)[C@](C)(O)c1ccccc1 ZINC000873134149 589986245 /nfs/dbraw/zinc/98/62/45/589986245.db2.gz XSGDYIYSXHBYJK-RISCZKNCSA-N 0 1 246.310 2.060 20 0 BEADMN CCOc1cccc(F)c1CNC[C@H](O)CC ZINC000873137499 589986317 /nfs/dbraw/zinc/98/63/17/589986317.db2.gz XDZPQRUSMYWQKU-SNVBAGLBSA-N 0 1 241.306 2.085 20 0 BEADMN Cc1nc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)[nH]c1C ZINC000873156033 589988384 /nfs/dbraw/zinc/98/83/84/589988384.db2.gz SBAHAYDXAWRQCS-AVGNSLFASA-N 0 1 249.358 2.074 20 0 BEADMN Cc1nc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)[nH]c1C ZINC000873156034 589988726 /nfs/dbraw/zinc/98/87/26/589988726.db2.gz SBAHAYDXAWRQCS-FRRDWIJNSA-N 0 1 249.358 2.074 20 0 BEADMN CC[C@H](NCc1ncc[nH]1)[C@H](O)c1ccccc1 ZINC000873194721 589991341 /nfs/dbraw/zinc/99/13/41/589991341.db2.gz UZGXGHJACJGXIP-GXTWGEPZSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@H](NCc1ccon1)[C@H](O)c1ccccc1 ZINC000873194667 589991555 /nfs/dbraw/zinc/99/15/55/589991555.db2.gz ISNHCKZEEVMBKG-UONOGXRCSA-N 0 1 246.310 2.276 20 0 BEADMN Cn1c(CNC2(C)CC(F)(F)C2)cnc1Cl ZINC000873197560 589991798 /nfs/dbraw/zinc/99/17/98/589991798.db2.gz GWEDWZDLCLVUFL-UHFFFAOYSA-N 0 1 249.692 2.351 20 0 BEADMN CCc1nc(COC(=O)C2CCC=CCC2)n[nH]1 ZINC000873430249 590043750 /nfs/dbraw/zinc/04/37/50/590043750.db2.gz LTDJDBZCQVWALS-UHFFFAOYSA-N 0 1 249.314 2.157 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H](C)[C@@H]1CC12CC2)N(C)C ZINC000873625915 590063532 /nfs/dbraw/zinc/06/35/32/590063532.db2.gz UPXDYBOLNWGVBA-GRYCIOLGSA-N 0 1 239.359 2.304 20 0 BEADMN CCCCCC[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000873916109 590078858 /nfs/dbraw/zinc/07/88/58/590078858.db2.gz PUYOZZAOKVIOGJ-VXGBXAGGSA-N 0 1 228.380 2.412 20 0 BEADMN CC(C(=O)NCCCc1cn[nH]c1C)=C1CCC1 ZINC000873993456 590083690 /nfs/dbraw/zinc/08/36/90/590083690.db2.gz MRNFHSOBPLWYKZ-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN N[C@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000020265815 590093665 /nfs/dbraw/zinc/09/36/65/590093665.db2.gz OAYNQEVPTYJAGT-AWEZNQCLSA-N 0 1 246.354 2.479 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000874381858 590106718 /nfs/dbraw/zinc/10/67/18/590106718.db2.gz ZTRVMNLSGYBSSC-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc(F)c1 ZINC000020433401 590109764 /nfs/dbraw/zinc/10/97/64/590109764.db2.gz AOBAYHPESSYXJC-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CC(C)(C)C(=O)NOc1ccccc1F ZINC000874912806 590155075 /nfs/dbraw/zinc/15/50/75/590155075.db2.gz SVSYOMFWYMYHNG-UHFFFAOYSA-N 0 1 211.236 2.282 20 0 BEADMN c1cc(CN2CCC(c3cn[nH]c3)CC2)sn1 ZINC000876632441 590224276 /nfs/dbraw/zinc/22/42/76/590224276.db2.gz KUFCAJLFIYTBAL-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN CCCn1cc(CN2CCC[C@@H]2CC)nn1 ZINC000876632179 590224537 /nfs/dbraw/zinc/22/45/37/590224537.db2.gz IGPDRKJYHKGAOL-LBPRGKRZSA-N 0 1 222.336 2.063 20 0 BEADMN CCCn1cc(CN2CCC[C@H](C)[C@@H]2C)nn1 ZINC000876656732 590226923 /nfs/dbraw/zinc/22/69/23/590226923.db2.gz GWUFSKBLSMHXPG-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN(CC2CC2)CC2CC2)nn1 ZINC000876746941 590236830 /nfs/dbraw/zinc/23/68/30/590236830.db2.gz YFEWNQAFLHDRIS-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)C[C@H]2CC)nn1 ZINC000876747867 590237544 /nfs/dbraw/zinc/23/75/44/590237544.db2.gz OSBQCFUQTRCENK-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)CC[C@@H]2C)nn1 ZINC000876750217 590238366 /nfs/dbraw/zinc/23/83/66/590238366.db2.gz OSNMDGIOOWXQJC-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@H]1CCN(Cc2cc(OC)cnc2F)C1 ZINC000876806580 590244881 /nfs/dbraw/zinc/24/48/81/590244881.db2.gz QHJBUCJCMRXULV-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN CCCn1cc(CN2[C@H](C)CC[C@H]2C)nn1 ZINC000876807520 590244887 /nfs/dbraw/zinc/24/48/87/590244887.db2.gz GBBJRCMVZMGGHW-GHMZBOCLSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(OC)cnc2F)C1 ZINC000876806582 590244962 /nfs/dbraw/zinc/24/49/62/590244962.db2.gz QHJBUCJCMRXULV-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CC[C@H](O)CCCNCc1nc(Cl)cs1 ZINC000877056117 590275718 /nfs/dbraw/zinc/27/57/18/590275718.db2.gz YTWNHYSKSFXPAV-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@@H](O)C[C@H](C)CNCc1nc(Cl)cs1 ZINC000877059305 590276150 /nfs/dbraw/zinc/27/61/50/590276150.db2.gz UIPZYVVTWBAELK-JGVFFNPUSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@]1(CNCc2nc(Cl)cs2)CCCO1 ZINC000877101307 590283172 /nfs/dbraw/zinc/28/31/72/590283172.db2.gz IFKQZRIBDMYHMS-JTQLQIEISA-N 0 1 246.763 2.455 20 0 BEADMN C[C@@H](CCCO)NCc1nc(Cl)cs1 ZINC000877110060 590286973 /nfs/dbraw/zinc/28/69/73/590286973.db2.gz WTZXBZKEMPODLE-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN COC[C@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877111209 590287478 /nfs/dbraw/zinc/28/74/78/590287478.db2.gz FLJTYGZAEFPIIX-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN CC[C@](C)(CN1CCC[C@H]1c1ncc[nH]1)OC ZINC000877343963 590317859 /nfs/dbraw/zinc/31/78/59/590317859.db2.gz BKVSHJZDEUDFHJ-WCQYABFASA-N 0 1 237.347 2.362 20 0 BEADMN CCCn1cc(CN(C)C2(C)CCCC2)nn1 ZINC000877482293 590336762 /nfs/dbraw/zinc/33/67/62/590336762.db2.gz GOULEDWZVUGRGK-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCCn1cc(CN(CC)CC2CCC2)nn1 ZINC000877491294 590339535 /nfs/dbraw/zinc/33/95/35/590339535.db2.gz ILISHQQFBKVWFO-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CC1(C)SC[C@@H]1NCc1ccc(Cl)nn1 ZINC000877504264 590342588 /nfs/dbraw/zinc/34/25/88/590342588.db2.gz IGKZVPSRAFHPDW-QMMMGPOBSA-N 0 1 243.763 2.114 20 0 BEADMN CSC(C)(C)CCNC(CF)CF ZINC000877555939 590356067 /nfs/dbraw/zinc/35/60/67/590356067.db2.gz HDSYHPHALMZOSY-UHFFFAOYSA-N 0 1 211.321 2.415 20 0 BEADMN C[C@@]1(F)CCCN(Cc2ccc(=O)[nH]c2)C1 ZINC000877556942 590357962 /nfs/dbraw/zinc/35/79/62/590357962.db2.gz CZKJAZAWSATKGY-GFCCVEGCSA-N 0 1 224.279 2.111 20 0 BEADMN C[C@@H](CC(C)(C)O)NCc1nc(Cl)cs1 ZINC000877563420 590360720 /nfs/dbraw/zinc/36/07/20/590360720.db2.gz LYBWHYBSYUMILA-ZETCQYMHSA-N 0 1 248.779 2.436 20 0 BEADMN Cc1nocc1CNC[C@H]1CC1(Cl)Cl ZINC000877564100 590361290 /nfs/dbraw/zinc/36/12/90/590361290.db2.gz YJDJUEGRPAFZIB-MRVPVSSYSA-N 0 1 235.114 2.266 20 0 BEADMN CCc1nc(CNC[C@](C)(CC)OC)co1 ZINC000877569981 590361514 /nfs/dbraw/zinc/36/15/14/590361514.db2.gz CBJRPANFYWCNJN-LBPRGKRZSA-N 0 1 226.320 2.142 20 0 BEADMN CCc1nc(CNC[C@](C)(OC)C2CC2)co1 ZINC000877570882 590361631 /nfs/dbraw/zinc/36/16/31/590361631.db2.gz PDAZCJUAHBBSSM-ZDUSSCGKSA-N 0 1 238.331 2.142 20 0 BEADMN Cc1ncc(CNC[C@@H]2CC2(Cl)Cl)o1 ZINC000877584235 590366317 /nfs/dbraw/zinc/36/63/17/590366317.db2.gz XVOWGHUXYKUGLE-ZETCQYMHSA-N 0 1 235.114 2.266 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc(Cl)cs1 ZINC000877585620 590368072 /nfs/dbraw/zinc/36/80/72/590368072.db2.gz KMDWVPGSJHXXKK-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN COc1cnc(F)c(CN[C@H]2CC2(C)C)c1 ZINC000877587846 590369313 /nfs/dbraw/zinc/36/93/13/590369313.db2.gz IMYBPALXGPXPSP-JTQLQIEISA-N 0 1 224.279 2.117 20 0 BEADMN Clc1csc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000877611322 590372999 /nfs/dbraw/zinc/37/29/99/590372999.db2.gz ZTHRIDFPMOEMJH-PRJMDXOYSA-N 0 1 244.747 2.206 20 0 BEADMN c1c2cccnc2oc1CNC1CSC1 ZINC000877634512 590379887 /nfs/dbraw/zinc/37/98/87/590379887.db2.gz LKWMPESWWOLQBY-UHFFFAOYSA-N 0 1 220.297 2.033 20 0 BEADMN O=c1[nH]ccc2oc(CN3CC[C@H]4C[C@H]4C3)cc21 ZINC000877635477 590380825 /nfs/dbraw/zinc/38/08/25/590380825.db2.gz SPWOEDWTHBMISP-UWVGGRQHSA-N 0 1 244.294 2.375 20 0 BEADMN c1[nH]c(-c2ccccc2)nc1CNC1CSC1 ZINC000877635499 590381054 /nfs/dbraw/zinc/38/10/54/590381054.db2.gz UEDLUGAWMKDEMY-UHFFFAOYSA-N 0 1 245.351 2.282 20 0 BEADMN C[C@H](CSC(C)(C)C)NCc1ncc[nH]1 ZINC000877672378 590389455 /nfs/dbraw/zinc/38/94/55/590389455.db2.gz DAQZGYZGSMVXGB-SECBINFHSA-N 0 1 227.377 2.420 20 0 BEADMN CCC[C@@H](CCO)NCc1nc(Cl)cs1 ZINC000877666729 590389533 /nfs/dbraw/zinc/38/95/33/590389533.db2.gz HBUGZPDRXOBSCP-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718853 590399837 /nfs/dbraw/zinc/39/98/37/590399837.db2.gz WIFZBRBAXNNNRZ-BETUJISGSA-N 0 1 246.358 2.257 20 0 BEADMN Cc1cc(CN2CC[C@@H]3CSC[C@@H]3C2)no1 ZINC000877740106 590406519 /nfs/dbraw/zinc/40/65/19/590406519.db2.gz UYAWLLTZSULTPZ-MNOVXSKESA-N 0 1 238.356 2.168 20 0 BEADMN Cc1c(F)nccc1CN[C@H](C)c1ccnn1C ZINC000877762000 590419613 /nfs/dbraw/zinc/41/96/13/590419613.db2.gz WNRFRGURAAKAAJ-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN CC[C@@H](C[C@H](C)O)NCc1nc(Cl)cs1 ZINC000877778150 590419977 /nfs/dbraw/zinc/41/99/77/590419977.db2.gz KKDURFQLLOAFIA-YUMQZZPRSA-N 0 1 248.779 2.436 20 0 BEADMN COCC1(CN2CC(OC(C)(C)C)C2)CCC1 ZINC000877769644 590421155 /nfs/dbraw/zinc/42/11/55/590421155.db2.gz HAKGRHQRVYJQSA-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@](C)(CN1CC(OC(C)(C)C)C1)OC ZINC000877770350 590421463 /nfs/dbraw/zinc/42/14/63/590421463.db2.gz UOERQDKDHBCRQW-ZDUSSCGKSA-N 0 1 229.364 2.301 20 0 BEADMN C1=C[C@@H](CCCNCc2csnn2)CC1 ZINC000877805822 590425790 /nfs/dbraw/zinc/42/57/90/590425790.db2.gz MLGZOICTLCVWDE-SNVBAGLBSA-N 0 1 223.345 2.374 20 0 BEADMN CCn1ncc(CN(C)C[C@@H](C)C(C)(C)C)n1 ZINC000877824016 590428489 /nfs/dbraw/zinc/42/84/89/590428489.db2.gz DDNDUUBCBZZPHS-LLVKDONJSA-N 0 1 238.379 2.412 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000877899079 590442607 /nfs/dbraw/zinc/44/26/07/590442607.db2.gz KMQRUUCZVPOQQW-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN CC1(C)CN(C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000877899079 590442610 /nfs/dbraw/zinc/44/26/10/590442610.db2.gz KMQRUUCZVPOQQW-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H](C)O1 ZINC000877901085 590443504 /nfs/dbraw/zinc/44/35/04/590443504.db2.gz GLNNHZNAYKTQJZ-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)C[C@H](C)O1 ZINC000877901085 590443507 /nfs/dbraw/zinc/44/35/07/590443507.db2.gz GLNNHZNAYKTQJZ-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)[C@H](C)CO1 ZINC000877920546 590447281 /nfs/dbraw/zinc/44/72/81/590447281.db2.gz QHNFLPKSHJJTBR-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CC(C)[C@H](O)CCN1CCn2cccc2[C@@H]1C ZINC000877923433 590448394 /nfs/dbraw/zinc/44/83/94/590448394.db2.gz PETOYRFQEXYZQA-GXTWGEPZSA-N 0 1 236.359 2.272 20 0 BEADMN CO[C@H]1C[C@@H](CN2CCn3cccc3[C@H]2C)C1 ZINC000877923897 590448591 /nfs/dbraw/zinc/44/85/91/590448591.db2.gz ZQQYJKVHVNBIJJ-UPJWGTAASA-N 0 1 234.343 2.290 20 0 BEADMN Cc1cccnc1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000877927990 590449345 /nfs/dbraw/zinc/44/93/45/590449345.db2.gz JVROOSVLSHBZRE-LBPRGKRZSA-N 0 1 249.358 2.305 20 0 BEADMN Cc1cccnc1NC(=O)CN1CCCCCC1 ZINC000877942964 590454186 /nfs/dbraw/zinc/45/41/86/590454186.db2.gz VJYLNLHOUARILC-UHFFFAOYSA-N 0 1 247.342 2.205 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOCC2(C)C)OC1 ZINC000877996004 590468455 /nfs/dbraw/zinc/46/84/55/590468455.db2.gz MSKUUYRWRMLOEM-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878064199 590485837 /nfs/dbraw/zinc/48/58/37/590485837.db2.gz BMKGJZLPNVNLBE-SKDRFNHKSA-N 0 1 249.358 2.380 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878064196 590485955 /nfs/dbraw/zinc/48/59/55/590485955.db2.gz BMKGJZLPNVNLBE-CABZTGNLSA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H]1COCCN1C[C@@H]1CCCC(C)(C)O1 ZINC000878108766 590495731 /nfs/dbraw/zinc/49/57/31/590495731.db2.gz OBNRKLNJLOYOGT-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878109061 590496590 /nfs/dbraw/zinc/49/65/90/590496590.db2.gz QBDSKSGFDUZGIB-CRWXNKLISA-N 0 1 239.359 2.055 20 0 BEADMN Cc1cccnc1NC(=O)CN1C[C@@H](C)C[C@H]1C ZINC000878125288 590501226 /nfs/dbraw/zinc/50/12/26/590501226.db2.gz KHSDZQLWAXNXJN-CMPLNLGQSA-N 0 1 247.342 2.059 20 0 BEADMN CCN(C#N)CCN1CC[C@H]1Cc1ccccc1 ZINC000878176238 590516012 /nfs/dbraw/zinc/51/60/12/590516012.db2.gz DUFISGIOZZLKRD-HNNXBMFYSA-N 0 1 243.354 2.106 20 0 BEADMN CC(C)CN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878181087 590517356 /nfs/dbraw/zinc/51/73/56/590517356.db2.gz KXAAKFYPRCWGHH-GWCFXTLKSA-N 0 1 249.358 2.190 20 0 BEADMN Cc1conc1CN(C)CCC1CCOCC1 ZINC000878187375 590519602 /nfs/dbraw/zinc/51/96/02/590519602.db2.gz XNTAKEIQCZZHLO-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H]1C ZINC000878197569 590523416 /nfs/dbraw/zinc/52/34/16/590523416.db2.gz OUAYMMOJVFDCAR-PEDHHIEDSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2CCCC(C)(C)O2)[C@H]1C ZINC000878197843 590523467 /nfs/dbraw/zinc/52/34/67/590523467.db2.gz QLLRAQZOAXVALH-RWMBFGLXSA-N 0 1 241.375 2.443 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2nocc2C)CC1 ZINC000878540354 590588413 /nfs/dbraw/zinc/58/84/13/590588413.db2.gz NFVBZRXJJNRNQW-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC[C@H]1CCCC1(F)F ZINC000878537553 590588600 /nfs/dbraw/zinc/58/86/00/590588600.db2.gz OXUUBSSWOGZYJO-NXEZZACHSA-N 0 1 249.301 2.305 20 0 BEADMN CN(CCCO)Cc1cc(C(F)(F)F)co1 ZINC000878556502 590592086 /nfs/dbraw/zinc/59/20/86/590592086.db2.gz QOVBVHNMJJXCKF-UHFFFAOYSA-N 0 1 237.221 2.113 20 0 BEADMN C(CC1CC1)CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000878606487 590595304 /nfs/dbraw/zinc/59/53/04/590595304.db2.gz PRZNTEOCAVILKZ-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@@H]1CN(CCCC2CC2)C[C@@H](C)[S@]1=O ZINC000878607114 590595422 /nfs/dbraw/zinc/59/54/22/590595422.db2.gz UGAFLGGXZYYBMT-AXAPSJFSSA-N 0 1 243.416 2.408 20 0 BEADMN CCN(CC(C)=O)[C@H](C)[C@@H](O)c1ccccc1 ZINC000878635715 590598510 /nfs/dbraw/zinc/59/85/10/590598510.db2.gz OQBRVKFJCKWHDF-TZMCWYRMSA-N 0 1 235.327 2.019 20 0 BEADMN CN(CCCC1CC1)[C@@H]1CC(C)(C)OC1=O ZINC000878646494 590601332 /nfs/dbraw/zinc/60/13/32/590601332.db2.gz YWINSFQJNPFGRK-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN CCc1nocc1CN(C)CC[C@@H](O)C(C)C ZINC000878653000 590602423 /nfs/dbraw/zinc/60/24/23/590602423.db2.gz YWTCTEHJTDLNPY-CYBMUJFWSA-N 0 1 240.347 2.076 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2nocc2C)C1(C)C ZINC000878671264 590607181 /nfs/dbraw/zinc/60/71/81/590607181.db2.gz DSZQMIXISMVCKV-YPMHNXCESA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2nocc2C)C1(C)C ZINC000878672098 590607214 /nfs/dbraw/zinc/60/72/14/590607214.db2.gz CEWFXGUVWLZNRJ-ZMLRMANQSA-N 0 1 238.331 2.132 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2nocc2C)C1(C)C ZINC000878672097 590607523 /nfs/dbraw/zinc/60/75/23/590607523.db2.gz CEWFXGUVWLZNRJ-YUSALJHKSA-N 0 1 238.331 2.132 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nocc2C)C1(C)C ZINC000878672096 590607614 /nfs/dbraw/zinc/60/76/14/590607614.db2.gz CEWFXGUVWLZNRJ-MVWJERBFSA-N 0 1 238.331 2.132 20 0 BEADMN COC1([C@H](C)NCc2nocc2C)CCC1 ZINC000878711445 590613613 /nfs/dbraw/zinc/61/36/13/590613613.db2.gz OTDHZNWBYAWGEV-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN CCCNC(=O)CCCN1CCC=C(Cl)C1 ZINC000878790270 590622457 /nfs/dbraw/zinc/62/24/57/590622457.db2.gz IWVXAMJASNWHAH-UHFFFAOYSA-N 0 1 244.766 2.121 20 0 BEADMN ClC1=CCCN(CC[C@H]2CCCO2)C1 ZINC000878792155 590623409 /nfs/dbraw/zinc/62/34/09/590623409.db2.gz XHDLMLUSOKLUSQ-LLVKDONJSA-N 0 1 215.724 2.384 20 0 BEADMN O=C(COC1CC1)Nc1cccc(Cl)c1O ZINC000878822432 590627711 /nfs/dbraw/zinc/62/77/11/590627711.db2.gz QFENZZHFLKBKFZ-UHFFFAOYSA-N 0 1 241.674 2.163 20 0 BEADMN C[N@H+]1CCN(C/C=C\Cl)C[C@H]1C(C)(C)C ZINC000878841785 590630502 /nfs/dbraw/zinc/63/05/02/590630502.db2.gz ZGMOHFAAWYLMQD-GZTOBOFZSA-N 0 1 230.783 2.401 20 0 BEADMN C=C/C=C/CCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000878920655 590652750 /nfs/dbraw/zinc/65/27/50/590652750.db2.gz ZKERLPQJGNDKGN-IEVRTODYSA-N 0 1 207.317 2.276 20 0 BEADMN OCCCCCCN1CCC[C@H]1c1ncccn1 ZINC000878975627 590665845 /nfs/dbraw/zinc/66/58/45/590665845.db2.gz GGJJDNVJMLRXET-ZDUSSCGKSA-N 0 1 249.358 2.166 20 0 BEADMN C=C/C=C/CCN1CCO[C@](C)(C(F)F)C1 ZINC000879009391 590676657 /nfs/dbraw/zinc/67/66/57/590676657.db2.gz XADNKZFJSOVOHM-ITKZLYELSA-N 0 1 231.286 2.475 20 0 BEADMN CO[C@H]1C[C@@H](CN2Cc3ccc(O)cc3C2)C1 ZINC000879033146 590683041 /nfs/dbraw/zinc/68/30/41/590683041.db2.gz JSORTVOVDWAQDL-WJONMLJTSA-N 0 1 233.311 2.133 20 0 BEADMN Cc1coc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000879193144 590711413 /nfs/dbraw/zinc/71/14/13/590711413.db2.gz YTKVSEIGQIKTLK-SNVBAGLBSA-N 0 1 245.282 2.119 20 0 BEADMN O[C@H](c1ccccc1)[C@@H]1CCCN1CCF ZINC000879241692 590719726 /nfs/dbraw/zinc/71/97/26/590719726.db2.gz BMPDXXIQZLVELM-QWHCGFSZSA-N 0 1 223.291 2.154 20 0 BEADMN O[C@@H](c1ccccc1)[C@@H]1CCCN1CCF ZINC000879241693 590720116 /nfs/dbraw/zinc/72/01/16/590720116.db2.gz BMPDXXIQZLVELM-STQMWFEESA-N 0 1 223.291 2.154 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000879325253 590745560 /nfs/dbraw/zinc/74/55/60/590745560.db2.gz JROUNUKNHFSZOP-RISCZKNCSA-N 0 1 249.358 2.093 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2ccnc(F)c2)C1 ZINC000879325206 590746245 /nfs/dbraw/zinc/74/62/45/590746245.db2.gz JDTNMVCOCDRRMG-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000127746519 590768332 /nfs/dbraw/zinc/76/83/32/590768332.db2.gz UCSJGFCIOVYJCR-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN COc1cccc([C@@H]2C[N@@H+](CC3CC3)CCN2)c1 ZINC000879526097 590790259 /nfs/dbraw/zinc/79/02/59/590790259.db2.gz UCHNCIIMQAWYST-HNNXBMFYSA-N 0 1 246.354 2.052 20 0 BEADMN Cc1nc([C@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)no1 ZINC000879530218 590792498 /nfs/dbraw/zinc/79/24/98/590792498.db2.gz PJJVMRPEPUKHRL-ZMLRMANQSA-N 0 1 233.315 2.337 20 0 BEADMN C[C@@H]1CCN[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000127910309 590841257 /nfs/dbraw/zinc/84/12/57/590841257.db2.gz LZWYFAXEBDXDII-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCF)no1 ZINC000879683336 590847192 /nfs/dbraw/zinc/84/71/92/590847192.db2.gz SDLFNFAKRWBMQD-FGWVZKOKSA-N 0 1 239.294 2.058 20 0 BEADMN CC(C)=CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879721568 590855454 /nfs/dbraw/zinc/85/54/54/590855454.db2.gz MBSYXFJVFJUNSG-MFKMUULPSA-N 0 1 247.342 2.158 20 0 BEADMN Cc1c(Cl)ccc2c1CN(CCCO)CC2 ZINC000879766891 590858632 /nfs/dbraw/zinc/85/86/32/590858632.db2.gz CVOQTAOFKGUUSN-UHFFFAOYSA-N 0 1 239.746 2.389 20 0 BEADMN Cc1cncc([C@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000879752276 590863360 /nfs/dbraw/zinc/86/33/60/590863360.db2.gz RDRKPDUWPSRLET-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cl/C=C\CN[C@H]1CCCn2nccc21 ZINC000879786519 590869311 /nfs/dbraw/zinc/86/93/11/590869311.db2.gz SOZYATLKAAGTJS-ANTNXHBISA-N 0 1 211.696 2.060 20 0 BEADMN C[C@@]1(C2CCCCC2)CC[N@H+]1CC1OCCO1 ZINC000879789723 590869317 /nfs/dbraw/zinc/86/93/17/590869317.db2.gz GJDSWDPZRUHGPS-AWEZNQCLSA-N 0 1 239.359 2.404 20 0 BEADMN COCC1(N(C)Cc2cncs2)CCC1 ZINC000880184713 590952484 /nfs/dbraw/zinc/95/24/84/590952484.db2.gz QGQNXWLNTWOOLZ-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN CC(=CC(=O)Nc1cccc2[nH]nnc21)C1CC1 ZINC000880194655 590956730 /nfs/dbraw/zinc/95/67/30/590956730.db2.gz ASIRMCKEDBOXOU-BQYQJAHWSA-N 0 1 242.282 2.253 20 0 BEADMN FC[C@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000880232625 590962704 /nfs/dbraw/zinc/96/27/04/590962704.db2.gz OUYPWUOIVWPYJF-SECBINFHSA-N 0 1 243.244 2.247 20 0 BEADMN C[C@H](c1cnccn1)N1CCC[C@@H](CF)C1 ZINC000880236547 590965831 /nfs/dbraw/zinc/96/58/31/590965831.db2.gz BDEAFPHMSRWCEI-MNOVXSKESA-N 0 1 223.295 2.219 20 0 BEADMN CCc1nocc1CN1CCC[C@@H](CF)C1 ZINC000880238763 590971632 /nfs/dbraw/zinc/97/16/32/590971632.db2.gz XBGNTKHACQMXCL-JTQLQIEISA-N 0 1 226.295 2.419 20 0 BEADMN OCc1ccc(F)c(CN2CCC(F)CC2)c1 ZINC000880239003 590971697 /nfs/dbraw/zinc/97/16/97/590971697.db2.gz QOPHVHSMKUGXEA-UHFFFAOYSA-N 0 1 241.281 2.252 20 0 BEADMN CC(C)N(C(=O)CN1CCC(F)CC1)C(C)C ZINC000880243234 590976377 /nfs/dbraw/zinc/97/63/77/590976377.db2.gz FZEDVRYWYMZAOE-UHFFFAOYSA-N 0 1 244.354 2.066 20 0 BEADMN CCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880268617 590981461 /nfs/dbraw/zinc/98/14/61/590981461.db2.gz NJBIFUOWYIRFLS-UHFFFAOYSA-N 0 1 233.237 2.128 20 0 BEADMN Cn1c2ccccc2nc1CN1CC[C@@H](CF)C1 ZINC000880297584 590992395 /nfs/dbraw/zinc/99/23/95/590992395.db2.gz PYNFIGIXNDLQBU-NSHDSACASA-N 0 1 247.317 2.365 20 0 BEADMN CNC(C)(C)c1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000881326935 591192698 /nfs/dbraw/zinc/19/26/98/591192698.db2.gz UDMKTCFVCZCBRV-JTQLQIEISA-N 0 1 238.379 2.415 20 0 BEADMN O=C(NC[C@H]1C=CCC1)c1ccc2cncn2c1 ZINC000881497584 591220445 /nfs/dbraw/zinc/22/04/45/591220445.db2.gz CLUYEMFJLDUKDJ-NSHDSACASA-N 0 1 241.294 2.030 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC000882479660 591356357 /nfs/dbraw/zinc/35/63/57/591356357.db2.gz BOCYGOFUWQYZBN-CQSZACIVSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC000882479475 591356505 /nfs/dbraw/zinc/35/65/05/591356505.db2.gz XEIGMFIONLZXHW-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC000882485882 591362686 /nfs/dbraw/zinc/36/26/86/591362686.db2.gz FPGBXYYGOTXZKB-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)/C=C(\C)C(C)(C)C ZINC000882488029 591364396 /nfs/dbraw/zinc/36/43/96/591364396.db2.gz NJEVQPHVNDKCIB-LMMOQWNQSA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC000882488717 591366794 /nfs/dbraw/zinc/36/67/94/591366794.db2.gz WXZQOCWWDZZDFM-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C ZINC000882496126 591379184 /nfs/dbraw/zinc/37/91/84/591379184.db2.gz YJGSWLCQWLXQCK-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1C ZINC000129810456 591410355 /nfs/dbraw/zinc/41/03/55/591410355.db2.gz AGROVDGSRUJHKK-LURJTMIESA-N 0 1 223.663 2.094 20 0 BEADMN CCN1CC[C@H]1CNC(=O)O[C@H](C)CC(C)C ZINC000882764157 591432348 /nfs/dbraw/zinc/43/23/48/591432348.db2.gz LPEVVOQQEXHIRS-NEPJUHHUSA-N 0 1 242.363 2.241 20 0 BEADMN CCC[C@](C)(O)CNCc1nc(C(C)C)c[nH]1 ZINC000882993886 591499452 /nfs/dbraw/zinc/49/94/52/591499452.db2.gz KJHQQMIHZCQECO-ZDUSSCGKSA-N 0 1 239.363 2.174 20 0 BEADMN CCC[C@](C)(CO)NCc1nc(C(C)C)c[nH]1 ZINC000883003775 591506608 /nfs/dbraw/zinc/50/66/08/591506608.db2.gz HGINIUBOZCITOY-CYBMUJFWSA-N 0 1 239.363 2.174 20 0 BEADMN CC[C@H](O)CCCNCc1nc(C(C)C)c[nH]1 ZINC000883017635 591515562 /nfs/dbraw/zinc/51/55/62/591515562.db2.gz UEHKSJOUUQRAQJ-NSHDSACASA-N 0 1 239.363 2.174 20 0 BEADMN CO[C@H](CNCc1nc(C(C)C)c[nH]1)C(C)C ZINC000883026420 591518315 /nfs/dbraw/zinc/51/83/15/591518315.db2.gz SOQKGGHBUCTEMD-GFCCVEGCSA-N 0 1 239.363 2.294 20 0 BEADMN COC1(CNCc2nc(C(C)C)c[nH]2)CCC1 ZINC000883084611 591537584 /nfs/dbraw/zinc/53/75/84/591537584.db2.gz XLIMWFLVMOKDLY-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CC2(C)C)n1 ZINC000883146024 591551128 /nfs/dbraw/zinc/55/11/28/591551128.db2.gz XBWXLNRZSRPIFE-JTQLQIEISA-N 0 1 207.321 2.421 20 0 BEADMN c1csc(CNC[C@H]2CSCCS2)n1 ZINC000131144640 591559711 /nfs/dbraw/zinc/55/97/11/591559711.db2.gz ODSPQZDAFXGVNA-QMMMGPOBSA-N 0 1 246.426 2.081 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@]23C[C@@H]2COC3(C)C)n1 ZINC000883186644 591565465 /nfs/dbraw/zinc/56/54/65/591565465.db2.gz WHMUZDOEWZNCSH-YGRLFVJLSA-N 0 1 249.358 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CO[C@H](C3CC3)C2)n1 ZINC000883190464 591568474 /nfs/dbraw/zinc/56/84/74/591568474.db2.gz DIRYZNMYIXFREV-AAEUAGOBSA-N 0 1 249.358 2.190 20 0 BEADMN Cc1c(Cl)c(CNC[C@@H]2C=CCC2)nn1C ZINC000883237036 591582108 /nfs/dbraw/zinc/58/21/08/591582108.db2.gz PZYRRMBITYPQCL-SNVBAGLBSA-N 0 1 239.750 2.438 20 0 BEADMN Cc1c[nH]nc1C[NH2+]CC1(CC2CC2)CC1 ZINC000883248659 591589452 /nfs/dbraw/zinc/58/94/52/591589452.db2.gz BFRQSGYNAODSKC-UHFFFAOYSA-N 0 1 219.332 2.388 20 0 BEADMN CCC[C@H](C)CCNCc1ncnn1CC ZINC000883250477 591591350 /nfs/dbraw/zinc/59/13/50/591591350.db2.gz AOJKUDREGCIIIN-NSHDSACASA-N 0 1 224.352 2.214 20 0 BEADMN COCc1cc(CNC[C@@]2(C)CC2(C)C)no1 ZINC000883252568 591592589 /nfs/dbraw/zinc/59/25/89/591592589.db2.gz NNJYTERZCSGFEY-CYBMUJFWSA-N 0 1 238.331 2.347 20 0 BEADMN CCC[C@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000131398677 591606654 /nfs/dbraw/zinc/60/66/54/591606654.db2.gz VGUDUYKZYIVZIG-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN Cc1ccc(CN[C@@H]2CO[C@@H](C)C2)c(Cl)n1 ZINC000883293614 591609234 /nfs/dbraw/zinc/60/92/34/591609234.db2.gz ZLGXLJPXEYSJIT-ONGXEEELSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@@H](NC1(c2ncccn2)CCC1)C1CC1 ZINC000883307209 591611181 /nfs/dbraw/zinc/61/11/81/591611181.db2.gz OMWDRGXIKWMZEQ-SNVBAGLBSA-N 0 1 217.316 2.244 20 0 BEADMN C[C@H](NC1(c2ncccn2)CCC1)C1CC1 ZINC000883307208 591611193 /nfs/dbraw/zinc/61/11/93/591611193.db2.gz OMWDRGXIKWMZEQ-JTQLQIEISA-N 0 1 217.316 2.244 20 0 BEADMN C[C@H]1OCC[C@@H]1NCc1cc(O)ccc1Cl ZINC000883325128 591616483 /nfs/dbraw/zinc/61/64/83/591616483.db2.gz PFLQWUWGBBPQRH-PELKAZGASA-N 0 1 241.718 2.313 20 0 BEADMN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ncc[nH]1 ZINC000883357340 591627302 /nfs/dbraw/zinc/62/73/02/591627302.db2.gz JKBOXFBEKNWDIJ-QWRGUYRKSA-N 0 1 235.331 2.162 20 0 BEADMN c1ccc2c(CN[C@@H]3CCOC3)nsc2c1 ZINC000883402242 591648623 /nfs/dbraw/zinc/64/86/23/591648623.db2.gz LVDZXBLEASZGNW-SECBINFHSA-N 0 1 234.324 2.175 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883404913 591650508 /nfs/dbraw/zinc/65/05/08/591650508.db2.gz SXAJFDBCBACZIB-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN C/C(=C\C[N@H+](CC(C)C)C1CC1)C(=O)[O-] ZINC000214612015 591675388 /nfs/dbraw/zinc/67/53/88/591675388.db2.gz SMVAHBFTAAADAY-UXBLZVDNSA-N 0 1 211.305 2.138 20 0 BEADMN CCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000132513858 591714893 /nfs/dbraw/zinc/71/48/93/591714893.db2.gz MRHOQNBLVPCIBU-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)COC(=O)[C@H](C)N1CCCCCC1 ZINC000132593122 591721785 /nfs/dbraw/zinc/72/17/85/591721785.db2.gz GSZJOSDWHURQLH-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN C/C=C/COC(=O)[C@H](C)N1CCCCCC1 ZINC000132610017 591724433 /nfs/dbraw/zinc/72/44/33/591724433.db2.gz OXCCTQZDEYDLTP-PCAWENJQSA-N 0 1 225.332 2.370 20 0 BEADMN CCn1cc(CN(C)[C@H]2CCC[C@H](C)C2)nn1 ZINC000883998193 591790276 /nfs/dbraw/zinc/79/02/76/591790276.db2.gz YBVAROYZIMMHDJ-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@H]2CCC[C@@H](C)C2)nn1 ZINC000883998196 591790451 /nfs/dbraw/zinc/79/04/51/591790451.db2.gz YBVAROYZIMMHDJ-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)N1CCN[C@@H](C)C1 ZINC000884031074 591815333 /nfs/dbraw/zinc/81/53/33/591815333.db2.gz FUDWKRDRQZAHAV-SCRDCRAPSA-N 0 1 238.375 2.023 20 0 BEADMN Fc1cccnc1CN[C@@H]1CCCSC1 ZINC000134815878 591951849 /nfs/dbraw/zinc/95/18/49/591951849.db2.gz VZQHWXXXHKGAKO-SECBINFHSA-N 0 1 226.320 2.206 20 0 BEADMN CCC=C(C)C(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000135388854 592010829 /nfs/dbraw/zinc/01/08/29/592010829.db2.gz BHSOAMWBZNCVQW-MBACFSSFSA-N 0 1 221.304 2.333 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCC1CC1 ZINC000885260109 592061415 /nfs/dbraw/zinc/06/14/15/592061415.db2.gz OSPFMIUCMIPAOU-RNCFNFMXSA-N 0 1 248.326 2.419 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2(C3CC3)CC2)n[nH]1 ZINC000885730114 592095384 /nfs/dbraw/zinc/09/53/84/592095384.db2.gz AEWRNCDHTIVRFE-MRVPVSSYSA-N 0 1 249.314 2.162 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@H](C)O1 ZINC000885931553 592109482 /nfs/dbraw/zinc/10/94/82/592109482.db2.gz VHKQQJVWBIGSMU-UZGDPCLZSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@](O)(CN1CCc2sccc2C1)C(F)F ZINC000885942972 592112326 /nfs/dbraw/zinc/11/23/26/592112326.db2.gz UXNFBYKSJBOCGH-NSHDSACASA-N 0 1 247.310 2.122 20 0 BEADMN Cc1[nH]nc(CNc2ccc(CCO)cc2)c1C ZINC000886014986 592130967 /nfs/dbraw/zinc/13/09/67/592130967.db2.gz UDGVOZUITIPUIF-UHFFFAOYSA-N 0 1 245.326 2.173 20 0 BEADMN C[N@H+](Cc1nccs1)C[C@@H]1C[C@]12CCOC2 ZINC000886030979 592137117 /nfs/dbraw/zinc/13/71/17/592137117.db2.gz YVXGRKNOYZZYCB-JQWIXIFHSA-N 0 1 238.356 2.002 20 0 BEADMN CN(Cc1nccs1)C[C@@H]1C[C@]12CCOC2 ZINC000886030979 592137119 /nfs/dbraw/zinc/13/71/19/592137119.db2.gz YVXGRKNOYZZYCB-JQWIXIFHSA-N 0 1 238.356 2.002 20 0 BEADMN Cc1[nH]nc(CNc2ccc(F)nc2)c1C ZINC000886038782 592137725 /nfs/dbraw/zinc/13/77/25/592137725.db2.gz AQOMGZASNCDKSW-UHFFFAOYSA-N 0 1 220.251 2.173 20 0 BEADMN CCOc1ncccc1NCc1n[nH]c(C)c1C ZINC000886039353 592139422 /nfs/dbraw/zinc/13/94/22/592139422.db2.gz KHEGTFIGKFLAQB-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN Cc1cn[nH]c1CN(Cc1ccncc1)C1CC1 ZINC000886089801 592146168 /nfs/dbraw/zinc/14/61/68/592146168.db2.gz JTBYCSLORHKQMN-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000218456995 592156674 /nfs/dbraw/zinc/15/66/74/592156674.db2.gz LLPLVLYYCVYBPR-RILPQGNRSA-N 0 1 231.723 2.316 20 0 BEADMN CC[C@@H](NCc1cc(C)co1)[C@@H](O)C(F)F ZINC000886132340 592159911 /nfs/dbraw/zinc/15/99/11/592159911.db2.gz VXUYQOVNOVZYNN-NXEZZACHSA-N 0 1 233.258 2.082 20 0 BEADMN Cc1coc(CN[C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000886147327 592163264 /nfs/dbraw/zinc/16/32/64/592163264.db2.gz PHWBDMCBWAUGFI-MNOVXSKESA-N 0 1 245.269 2.226 20 0 BEADMN Cc1n[nH]c(CNCc2cc(C)nc(C)c2)c1C ZINC000886149106 592163312 /nfs/dbraw/zinc/16/33/12/592163312.db2.gz GKCYTHRJAVKABH-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN Fc1ccc2oc(CN[C@]34C[C@H]3COC4)cc2c1 ZINC000886200720 592174746 /nfs/dbraw/zinc/17/47/46/592174746.db2.gz ZEIIFNBERVOPOI-HZMBPMFUSA-N 0 1 247.269 2.450 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@H](c2ccncc2)C1 ZINC000886210823 592177298 /nfs/dbraw/zinc/17/72/98/592177298.db2.gz CMWAMFAZLCQLJD-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN CC[C@@H]1C[C@H](NCc2cc(C3CC3)no2)CO1 ZINC000886269292 592191964 /nfs/dbraw/zinc/19/19/64/592191964.db2.gz QZLKXIZZPHLEOV-WDEREUQCSA-N 0 1 236.315 2.209 20 0 BEADMN C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ncco1 ZINC000886272459 592192718 /nfs/dbraw/zinc/19/27/18/592192718.db2.gz QHJXOOWPASFNKM-QWRGUYRKSA-N 0 1 236.315 2.427 20 0 BEADMN CCCCC[C@@H](C)NC(=O)CN1C[C@@H]2C[C@@H]2C1 ZINC000886326896 592209479 /nfs/dbraw/zinc/20/94/79/592209479.db2.gz WAJGELJRYZTACV-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H](NCc1cccnc1)c1cnn(C)c1 ZINC000886487658 592235164 /nfs/dbraw/zinc/23/51/64/592235164.db2.gz NJSODOCPSDIFQF-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN CCCCC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886591382 592271050 /nfs/dbraw/zinc/27/10/50/592271050.db2.gz SQUXKWPRUBYUMX-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)(F)CN[C@H]1CCc2cccnc21 ZINC000886644966 592287891 /nfs/dbraw/zinc/28/78/91/592287891.db2.gz OWRBIJGAIRINDE-JTQLQIEISA-N 0 1 208.280 2.407 20 0 BEADMN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1cnccn1 ZINC000886701174 592306246 /nfs/dbraw/zinc/30/62/46/592306246.db2.gz LVWRRBHSXIKTFI-VXGBXAGGSA-N 0 1 247.342 2.086 20 0 BEADMN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1nccn1C ZINC000886702096 592306670 /nfs/dbraw/zinc/30/66/70/592306670.db2.gz ZZRVIPHYRIVLLN-RYUDHWBXSA-N 0 1 249.358 2.030 20 0 BEADMN Cc1cc[nH+]c(N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000886916696 592395730 /nfs/dbraw/zinc/39/57/30/592395730.db2.gz YQDNZLXJJRLJKR-NSHDSACASA-N 0 1 234.299 2.224 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCCF ZINC000887135936 592450994 /nfs/dbraw/zinc/45/09/94/592450994.db2.gz CEMDEAWEKRRBSU-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@@H](C(=O)Nc1ccccc1)N(C)CCCF ZINC000887137318 592451907 /nfs/dbraw/zinc/45/19/07/592451907.db2.gz CMMFDAQLXMRGKN-NSHDSACASA-N 0 1 238.306 2.305 20 0 BEADMN Cc1cccc2nc(CN(C)CCCF)cn21 ZINC000887137354 592452042 /nfs/dbraw/zinc/45/20/42/592452042.db2.gz FHFXDSQAJHEIDA-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(C2CC2)c(C)o1 ZINC000887242767 592471539 /nfs/dbraw/zinc/47/15/39/592471539.db2.gz OYJWDGHPNXGTNU-UHFFFAOYSA-N 0 1 246.270 2.144 20 0 BEADMN CCCc1cc(=O)n([C@@H]2CCCSC2)[nH]1 ZINC000887296755 592477951 /nfs/dbraw/zinc/47/79/51/592477951.db2.gz KUQVJPMBEWYNLG-SNVBAGLBSA-N 0 1 226.345 2.270 20 0 BEADMN Cn1cnc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000300415855 592511689 /nfs/dbraw/zinc/51/16/89/592511689.db2.gz ZVCMUURRHFCHMJ-FRRDWIJNSA-N 0 1 248.374 2.264 20 0 BEADMN CSC[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000300783775 592519942 /nfs/dbraw/zinc/51/99/42/592519942.db2.gz VJYJPGRRUXQSKE-JGVFFNPUSA-N 0 1 229.349 2.192 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2coc(C)n2)no1 ZINC000302574601 592549260 /nfs/dbraw/zinc/54/92/60/592549260.db2.gz PZPUBSMRFSJQMY-ZETCQYMHSA-N 0 1 236.275 2.094 20 0 BEADMN CCC[C@@](C)(NC(=O)CN(C)C)c1ccccc1 ZINC000889483989 592613849 /nfs/dbraw/zinc/61/38/49/592613849.db2.gz FPMUEMBQIYVULC-OAHLLOKOSA-N 0 1 248.370 2.380 20 0 BEADMN CCCCC1(NC(=O)CN(C)C2CCC2)CC1 ZINC000889526589 592617507 /nfs/dbraw/zinc/61/75/07/592617507.db2.gz KZJGHBPKRRBRJT-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cccc(F)c1O ZINC000889579300 592620835 /nfs/dbraw/zinc/62/08/35/592620835.db2.gz WTWHIXZVCPUBTD-KBVBSXBZSA-N 0 1 249.285 2.450 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccnc1C1CC1 ZINC000889883355 592658763 /nfs/dbraw/zinc/65/87/63/592658763.db2.gz PVALQBDDXRFESJ-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+](C)C(C)C ZINC000051361351 602207213 /nfs/dbraw/zinc/20/72/13/602207213.db2.gz BWPGBJVJPCZSFE-UHFFFAOYSA-N 0 1 211.261 2.126 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739302603 602451706 /nfs/dbraw/zinc/45/17/06/602451706.db2.gz RUNLNDCYXZKXSI-NEPJUHHUSA-N 0 1 242.363 2.497 20 0 BEADMN CC(C)=CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054299497 597088731 /nfs/dbraw/zinc/08/87/31/597088731.db2.gz YWGGYGCKGRZGDL-LLVKDONJSA-N 0 1 211.305 2.139 20 0 BEADMN CCC[C@]1(C)CCC[N@@H+](CCC(=O)[O-])C1 ZINC000236854941 597239989 /nfs/dbraw/zinc/23/99/89/597239989.db2.gz RLKKFBQTNACWGW-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1c2ccccc2C[N@@H+]1CCC(=O)[O-] ZINC000308849471 597383955 /nfs/dbraw/zinc/38/39/55/597383955.db2.gz NOWSBGWFBMFPDF-SECBINFHSA-N 0 1 205.257 2.038 20 0 BEADMN C[C@@H](c1cccnc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000719395105 597801363 /nfs/dbraw/zinc/80/13/63/597801363.db2.gz LAOXOMOXABYAFS-NSHDSACASA-N 0 1 236.315 2.329 20 0 BEADMN O=C([O-])CCC[N@H+](CC(F)F)CC1CCC1 ZINC000309524078 597803069 /nfs/dbraw/zinc/80/30/69/597803069.db2.gz CFOGYKYDVIRTIH-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN O=C([O-])CCC[N@@H+](CC(F)F)CC1CCC1 ZINC000309524078 597803071 /nfs/dbraw/zinc/80/30/71/597803071.db2.gz CFOGYKYDVIRTIH-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000084073475 598128751 /nfs/dbraw/zinc/12/87/51/598128751.db2.gz DHMKTUITNNMEQY-SNVBAGLBSA-N 0 1 245.278 2.339 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529186 598130149 /nfs/dbraw/zinc/13/01/49/598130149.db2.gz DXPOCEOSEPBTQM-CYBMUJFWSA-N 0 1 245.322 2.471 20 0 BEADMN CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])s1 ZINC000054070372 598131000 /nfs/dbraw/zinc/13/10/00/598131000.db2.gz KPDDDQIEPXIYFD-MRVPVSSYSA-N 0 1 227.329 2.215 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000054300217 598151090 /nfs/dbraw/zinc/15/10/90/598151090.db2.gz WZVATHYEDJNKNA-JTQLQIEISA-N 0 1 239.340 2.435 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)o1 ZINC000054300281 598151330 /nfs/dbraw/zinc/15/13/30/598151330.db2.gz JXHBLVLDVRFCFA-LLVKDONJSA-N 0 1 237.299 2.275 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000086756959 598151622 /nfs/dbraw/zinc/15/16/22/598151622.db2.gz RCSFSEHAODCCKK-LBPRGKRZSA-N 0 1 249.310 2.079 20 0 BEADMN O=C([O-])c1cc[nH+]c(NC(C2CC2)C2CC2)c1 ZINC000042237827 598218487 /nfs/dbraw/zinc/21/84/87/598218487.db2.gz ODOMLIDWGRCAEE-UHFFFAOYSA-N 0 1 232.283 2.380 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC000038027650 599754822 /nfs/dbraw/zinc/75/48/22/599754822.db2.gz XNTIDOYWAGMTTK-SGRBOOSSSA-N 0 1 217.696 2.068 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000037914311 599772038 /nfs/dbraw/zinc/77/20/38/599772038.db2.gz BZFZMLKZHLLLGU-SNVBAGLBSA-N 0 1 223.272 2.352 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000037914326 599772351 /nfs/dbraw/zinc/77/23/51/599772351.db2.gz AQNWIWGWZKKGGH-VIFPVBQESA-N 0 1 223.272 2.352 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082717511 600223090 /nfs/dbraw/zinc/22/30/90/600223090.db2.gz CDVIDRWOSJDSAN-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN C[N@@H+](Cc1ccc2c(c1)CCC2)C(C)(C)C(=O)[O-] ZINC000070499529 600627027 /nfs/dbraw/zinc/62/70/27/600627027.db2.gz IAPHBDNUCYFOEY-UHFFFAOYSA-N 0 1 247.338 2.470 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccncc1Cl ZINC000084085745 600818309 /nfs/dbraw/zinc/81/83/09/600818309.db2.gz SGXUOEPSKCSUJD-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)[O-])o1 ZINC000818885377 600857627 /nfs/dbraw/zinc/85/76/27/600857627.db2.gz SBKKEYLYUFYBMS-KOLCDFICSA-N 0 1 237.299 2.446 20 0 BEADMN CCCC[N@@H+](C/C=C(/C)C(=O)[O-])C1CC1 ZINC000084002681 601155900 /nfs/dbraw/zinc/15/59/00/601155900.db2.gz UDVMWVXKDZKVAQ-YFHOEESVSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1C1CCC1)C(=O)[O-] ZINC000688198319 601162556 /nfs/dbraw/zinc/16/25/56/601162556.db2.gz ICJPGMMCDWUJIW-PMDBQALLSA-N 0 1 223.316 2.282 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1C1CCC1)C(=O)[O-] ZINC000688198313 601162589 /nfs/dbraw/zinc/16/25/89/601162589.db2.gz ICJPGMMCDWUJIW-MQGYJPLLSA-N 0 1 223.316 2.282 20 0 BEADMN CCC[N@@H+](C/C=C(/C)C(=O)[O-])CC1CC1 ZINC000084002675 601167149 /nfs/dbraw/zinc/16/71/49/601167149.db2.gz YIHQAMBTRDVFKM-POHAHGRESA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C/C[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000084002230 601180144 /nfs/dbraw/zinc/18/01/44/601180144.db2.gz DGVWQJMMYZAKPJ-ISHASMORSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@H](C[N@@H+](Cc1cccs1)C1CC1)C(=O)[O-] ZINC000042516210 601287624 /nfs/dbraw/zinc/28/76/24/601287624.db2.gz IDFKPUAXLTYTKJ-SECBINFHSA-N 0 1 239.340 2.433 20 0 BEADMN CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(=O)[O-] ZINC000236939132 601382514 /nfs/dbraw/zinc/38/25/14/601382514.db2.gz BPPLFUWGKHIZRE-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCCCCC[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000082557698 601530311 /nfs/dbraw/zinc/53/03/11/601530311.db2.gz HVCOLOLJUWEWKA-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C(=O)[O-] ZINC000235330088 601527483 /nfs/dbraw/zinc/52/74/83/601527483.db2.gz VCCCHFJMLNLDSX-VMIDCOPPSA-N 0 1 245.322 2.352 20 0 BEADMN C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251702034 601530673 /nfs/dbraw/zinc/53/06/73/601530673.db2.gz IXJMRIDVCNGZQV-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)C1(C)CC1)C(=O)[O-] ZINC000385188684 601612387 /nfs/dbraw/zinc/61/23/87/601612387.db2.gz LQJMNVFBQOTVNI-CYNRKNSPSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1csc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC000395800747 602048434 /nfs/dbraw/zinc/04/84/34/602048434.db2.gz FXSQJNZIGUTJEL-VIFPVBQESA-N 0 1 242.344 2.040 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000706961666 602207227 /nfs/dbraw/zinc/20/72/27/602207227.db2.gz FREXWUNKBBVPQA-PSASIEDQSA-N 0 1 237.324 2.431 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)s1 ZINC000706964308 602208287 /nfs/dbraw/zinc/20/82/87/602208287.db2.gz JSIINYHMYQIZPA-PSASIEDQSA-N 0 1 237.324 2.431 20 0 BEADMN CC[C@]1(C)CC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000399393963 602240507 /nfs/dbraw/zinc/24/05/07/602240507.db2.gz LORNASJORGTASW-SBKJXLNCSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])NC[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000740622205 602263758 /nfs/dbraw/zinc/26/37/58/602263758.db2.gz IGLWROFOALPYSE-NEPJUHHUSA-N 0 1 238.331 2.217 20 0 BEADMN CC(C)=CC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000738759962 602264101 /nfs/dbraw/zinc/26/41/01/602264101.db2.gz NMUJMMCHKLUPMZ-NEPJUHHUSA-N 0 1 240.347 2.463 20 0 BEADMN CC1(C)CCC[N@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000739066253 602282181 /nfs/dbraw/zinc/28/21/81/602282181.db2.gz QKYCXOSWUPCAPM-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN N#CCCCC[N@H+](CC(=O)[O-])C1CCCC1 ZINC000037474448 602338730 /nfs/dbraw/zinc/33/87/30/602338730.db2.gz QOFJFTQGFKSHLW-UHFFFAOYSA-N 0 1 224.304 2.009 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC(C)(C)C ZINC000308821019 602341827 /nfs/dbraw/zinc/34/18/27/602341827.db2.gz CADIBVSBTGITHE-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1nc2ccccc2o1 ZINC000042718181 602386758 /nfs/dbraw/zinc/38/67/58/602386758.db2.gz VPGHCWRLTAQCSU-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000739262795 602438779 /nfs/dbraw/zinc/43/87/79/602438779.db2.gz FOHGSYBZRRDVTB-OLZOCXBDSA-N 0 1 248.326 2.480 20 0 BEADMN CCC[N@@H+](C/C=C/Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358942 602578409 /nfs/dbraw/zinc/57/84/09/602578409.db2.gz SKCCSDIGFHSOEM-RXNUUUNCSA-N 0 1 246.738 2.203 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739182214 602768826 /nfs/dbraw/zinc/76/88/26/602768826.db2.gz VUGIUAQMSPRSPX-PWSUYJOCSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739187795 602800037 /nfs/dbraw/zinc/80/00/37/602800037.db2.gz IMZOZUVCJMZVAR-AAEUAGOBSA-N 0 1 248.326 2.165 20 0 BEADMN CCC(C)(C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739220603 603136070 /nfs/dbraw/zinc/13/60/70/603136070.db2.gz WDHCZZXZHSAXJS-UHFFFAOYSA-N 0 1 242.363 2.497 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000738822323 603322735 /nfs/dbraw/zinc/32/27/35/603322735.db2.gz VXUKSVTUFMEXGP-NSHDSACASA-N 0 1 240.347 2.107 20 0 BEADMN CC(C)[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738836318 603324661 /nfs/dbraw/zinc/32/46/61/603324661.db2.gz IJLUAFPVBOZVPB-LBPRGKRZSA-N 0 1 240.347 2.107 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739064327 603345290 /nfs/dbraw/zinc/34/52/90/603345290.db2.gz GXWARLALGAMQDB-NSHDSACASA-N 0 1 240.347 2.108 20 0 BEADMN Cc1ccc(C[N@H+]2CCN(C(=O)[O-])[C@@H](C)C2)cc1 ZINC000740126018 603357592 /nfs/dbraw/zinc/35/75/92/603357592.db2.gz HGBFULQCSHRKDH-LBPRGKRZSA-N 0 1 248.326 2.179 20 0 BEADMN CCCCCC[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739333193 603410503 /nfs/dbraw/zinc/41/05/03/603410503.db2.gz VQMXXEUUXDHLDQ-LLVKDONJSA-N 0 1 228.336 2.156 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000740162172 604371701 /nfs/dbraw/zinc/37/17/01/604371701.db2.gz HXCCKGRSNYKJNQ-GFCCVEGCSA-N 0 1 248.326 2.145 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000235089242 604582287 /nfs/dbraw/zinc/58/22/87/604582287.db2.gz AGNZIPRHDQUPJZ-JTQLQIEISA-N 0 1 239.290 2.287 20 0 BEADMN CCCc1[nH+]ccn1Cc1cc(C(=O)[O-])c(C)o1 ZINC000070423656 604630281 /nfs/dbraw/zinc/63/02/81/604630281.db2.gz GPFCQCLXGZIUBY-UHFFFAOYSA-N 0 1 248.282 2.484 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000252190022 604632072 /nfs/dbraw/zinc/63/20/72/604632072.db2.gz UUPRUWSWOZXALC-USWWRNFRSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])o1 ZINC000252190022 604632076 /nfs/dbraw/zinc/63/20/76/604632076.db2.gz UUPRUWSWOZXALC-USWWRNFRSA-N 0 1 249.310 2.452 20 0 BEADMN CC1CCC(C[N@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000084340120 604632269 /nfs/dbraw/zinc/63/22/69/604632269.db2.gz AHXWJRKDNWZDRR-MCIGGMRASA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402195263 604673577 /nfs/dbraw/zinc/67/35/77/604673577.db2.gz HQPPPERHQAGNBR-WCQYABFASA-N 0 1 223.316 2.139 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC000089628193 604841169 /nfs/dbraw/zinc/84/11/69/604841169.db2.gz QONJZRGEHDYVNZ-MROQNXINSA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)(C)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000230270513 605427354 /nfs/dbraw/zinc/42/73/54/605427354.db2.gz LJZOBZZHKHMNSM-WDEREUQCSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080991848 605852432 /nfs/dbraw/zinc/85/24/32/605852432.db2.gz KJDVEZNREFKNJH-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)CC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000080991849 605853065 /nfs/dbraw/zinc/85/30/65/605853065.db2.gz KJDVEZNREFKNJH-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000740596455 605914052 /nfs/dbraw/zinc/91/40/52/605914052.db2.gz YBPXIXKGRDIGPP-IRBQFCFKSA-N 0 1 246.310 2.042 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000738915354 605926730 /nfs/dbraw/zinc/92/67/30/605926730.db2.gz VJCFVWLNQXFKRM-YPMHNXCESA-N 0 1 248.326 2.132 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCCOCC1 ZINC001255645697 987038999 /nfs/dbraw/zinc/03/89/99/987038999.db2.gz HPZSNJSZSAMIND-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1noc([C@@H](C)NC[C@H]2CCC(F)(F)C2)n1 ZINC000429785529 634437598 /nfs/dbraw/zinc/43/75/98/634437598.db2.gz LIRALGISBHAAHX-APPZFPTMSA-N 0 1 245.273 2.464 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000257685087 634463605 /nfs/dbraw/zinc/46/36/05/634463605.db2.gz RGHDVEFAXZSPPA-NSHDSACASA-N 0 1 244.294 2.074 20 0 BEADMN C[C@@H](CCC1CC1)N[C@@H](C)c1nnnn1C1CC1 ZINC000190681027 634478960 /nfs/dbraw/zinc/47/89/60/634478960.db2.gz UEZKVZAXHLZGAS-UWVGGRQHSA-N 0 1 249.362 2.237 20 0 BEADMN Cc1ncsc1CN[C@H]1CCCc2n[nH]cc21 ZINC000335889868 634537450 /nfs/dbraw/zinc/53/74/50/634537450.db2.gz NUNNXHHYHHDNSM-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN C#CCN(CC#C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000093461478 634545733 /nfs/dbraw/zinc/54/57/33/634545733.db2.gz MKNPQFRKCQDQBL-HOTGVXAUSA-N 0 1 223.319 2.359 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)s2)no1 ZINC000258154108 634580483 /nfs/dbraw/zinc/58/04/83/634580483.db2.gz WKLUGPLRCGVILQ-ZETCQYMHSA-N 0 1 223.301 2.387 20 0 BEADMN CCCCOC(=O)CN1CCCC1(C)C ZINC000063067557 635469187 /nfs/dbraw/zinc/46/91/87/635469187.db2.gz CDFBWNSDANUFMS-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN C=Cc1ccccc1NC(=O)NC[C@@H]1CCN1C ZINC000932071078 635549565 /nfs/dbraw/zinc/54/95/65/635549565.db2.gz DUYXQARSGMMKBR-LBPRGKRZSA-N 0 1 245.326 2.155 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC000235322299 635574615 /nfs/dbraw/zinc/57/46/15/635574615.db2.gz NHPNOZZQBAESKE-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CCN[C@@H](C)C1 ZINC000236674461 635605077 /nfs/dbraw/zinc/60/50/77/635605077.db2.gz OSDAHASKTXYJTP-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000236854151 635608385 /nfs/dbraw/zinc/60/83/85/635608385.db2.gz VRJLSZFPXKVZCG-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN COC[C@H]1COCCN1CCC1CCCCC1 ZINC000933332236 631265938 /nfs/dbraw/zinc/26/59/38/631265938.db2.gz XJVHKYCFNUMZIO-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN COC[C@H]1COCCN1C[C@H](C)c1ccccc1 ZINC000933335279 631274783 /nfs/dbraw/zinc/27/47/83/631274783.db2.gz MAQXDUQLDWZFRG-ZFWWWQNUSA-N 0 1 249.354 2.137 20 0 BEADMN COC[C@@H]1COCCN1C[C@@H](C)c1ccccc1 ZINC000933335278 631276192 /nfs/dbraw/zinc/27/61/92/631276192.db2.gz MAQXDUQLDWZFRG-UKRRQHHQSA-N 0 1 249.354 2.137 20 0 BEADMN Cc1cc(N)nc(N(C)Cc2ccccc2C)n1 ZINC000891470887 631372880 /nfs/dbraw/zinc/37/28/80/631372880.db2.gz IAZZXVZEOBISDX-UHFFFAOYSA-N 0 1 242.326 2.312 20 0 BEADMN CCN(Cc1ccnc(OC)c1F)C(C)C ZINC000891570868 631393937 /nfs/dbraw/zinc/39/39/37/631393937.db2.gz GKEMSTPGEIQTDY-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN CN(Cc1cnn(C2CCC2)c1)C1CC1 ZINC000891620432 631414880 /nfs/dbraw/zinc/41/48/80/631414880.db2.gz ZLTLTLDJPYPXIK-UHFFFAOYSA-N 0 1 205.305 2.202 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2Cc3ccccc32)n1 ZINC000090986722 631484894 /nfs/dbraw/zinc/48/48/94/631484894.db2.gz ILULTFBDFLHXPE-RYUDHWBXSA-N 0 1 243.310 2.413 20 0 BEADMN Cc1cccc(C)c1CN(C)CC1OCCO1 ZINC000933764333 631506442 /nfs/dbraw/zinc/50/64/42/631506442.db2.gz RGBGZNPACZDXGV-UHFFFAOYSA-N 0 1 235.327 2.108 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1O ZINC000933815848 631517482 /nfs/dbraw/zinc/51/74/82/631517482.db2.gz SWSWTSPWQLLQSM-ZETCQYMHSA-N 0 1 241.237 2.295 20 0 BEADMN CC(C)=CCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000926266258 631530323 /nfs/dbraw/zinc/53/03/23/631530323.db2.gz SDRJJUIGUXKVFZ-MNOVXSKESA-N 0 1 220.320 2.230 20 0 BEADMN CS[C@H]1CC[C@@H](NCc2cocn2)C1 ZINC000308736861 631558529 /nfs/dbraw/zinc/55/85/29/631558529.db2.gz LTPVJUSRMYGPGA-SCZZXKLOSA-N 0 1 212.318 2.048 20 0 BEADMN CC[C@@H](OCC[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934014184 631594762 /nfs/dbraw/zinc/59/47/62/631594762.db2.gz ZLNCTPDYEATWMD-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@H](OCCN1CC[C@H]1CO)c1ccccc1 ZINC000934014184 631594790 /nfs/dbraw/zinc/59/47/90/631594790.db2.gz ZLNCTPDYEATWMD-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN OC[C@@H]1CCN1[C@@H]1CCc2c1cccc2Cl ZINC000934015812 631610541 /nfs/dbraw/zinc/61/05/41/631610541.db2.gz CFGRCKJWNSLZNA-TVQRCGJNSA-N 0 1 237.730 2.394 20 0 BEADMN OC[C@@H]1CCN1[C@H]1CCc2c1cccc2Cl ZINC000934015813 631611790 /nfs/dbraw/zinc/61/17/90/631611790.db2.gz CFGRCKJWNSLZNA-ZANVPECISA-N 0 1 237.730 2.394 20 0 BEADMN CC(C)C[C@@H]1CCCN([C@H]2CCOC2=O)C1 ZINC000247660857 631651464 /nfs/dbraw/zinc/65/14/64/631651464.db2.gz PZHOIVGSFGEHJE-RYUDHWBXSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)[N@@H+](CCSC(C)(C)C)CC(=O)[O-] ZINC000308808037 631663232 /nfs/dbraw/zinc/66/32/32/631663232.db2.gz PGLUHBCPFMGJBD-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN CCc1noc(C)c1CN(C)[C@@H]1CC[C@@H]1OC ZINC000934124517 631702735 /nfs/dbraw/zinc/70/27/35/631702735.db2.gz FJUGTFGSUARWLV-OLZOCXBDSA-N 0 1 238.331 2.155 20 0 BEADMN FC(F)C1(N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926364047 631749856 /nfs/dbraw/zinc/74/98/56/631749856.db2.gz CDVIZSXLSVWBGM-GHMZBOCLSA-N 0 1 244.329 2.391 20 0 BEADMN COc1ccc([C@@H]2CCCN2CCC(C)=O)nc1 ZINC000934340688 631790680 /nfs/dbraw/zinc/79/06/80/631790680.db2.gz SSQLOLXVSYGDES-AWEZNQCLSA-N 0 1 248.326 2.206 20 0 BEADMN CCCCOC(=O)CN(CC)[C@H](C)CC ZINC000043447845 631792074 /nfs/dbraw/zinc/79/20/74/631792074.db2.gz LAZLVMMGLSPKLB-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1(C)CCCC1 ZINC000309017517 631801213 /nfs/dbraw/zinc/80/12/13/631801213.db2.gz RSRBCXHWTTWGHR-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCCOC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000043559782 631808040 /nfs/dbraw/zinc/80/80/40/631808040.db2.gz PGCGXVNLVCTJHP-AXFHLTTASA-N 0 1 213.321 2.201 20 0 BEADMN C[C@H](O)[C@H](C)NCc1c(F)cccc1Cl ZINC000309047898 631823963 /nfs/dbraw/zinc/82/39/63/631823963.db2.gz PKLASCNRXANFFD-YUMQZZPRSA-N 0 1 231.698 2.338 20 0 BEADMN C[C@@H]1CC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000309159802 631913624 /nfs/dbraw/zinc/91/36/24/631913624.db2.gz YMGYGVMYXZICBW-VXNVDRBHSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@@H]1CC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000309159802 631913633 /nfs/dbraw/zinc/91/36/33/631913633.db2.gz YMGYGVMYXZICBW-VXNVDRBHSA-N 0 1 202.261 2.168 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@H](O)[C@@H](F)C2)c1 ZINC000934565237 631929379 /nfs/dbraw/zinc/92/93/79/631929379.db2.gz KSVAKNATPIYCDZ-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN c1cc(CN[C@H]2CC[C@@H]2C2CCC2)no1 ZINC000308857164 631961815 /nfs/dbraw/zinc/96/18/15/631961815.db2.gz QGVNCCJVNHOTJC-NEPJUHHUSA-N 0 1 206.289 2.343 20 0 BEADMN C[C@H](NCCC1(F)CCC1)c1cc(CO)on1 ZINC000926425337 631989721 /nfs/dbraw/zinc/98/97/21/631989721.db2.gz ACKZJQLZPANUQF-VIFPVBQESA-N 0 1 242.294 2.100 20 0 BEADMN CCN(CC(=O)OC)CC1(C)CCCC1 ZINC000308879696 632069875 /nfs/dbraw/zinc/06/98/75/632069875.db2.gz VIFRGINRIBYSBQ-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000926453898 632074505 /nfs/dbraw/zinc/07/45/05/632074505.db2.gz VVWTVAVBVIYIRZ-FXPVBKGRSA-N 0 1 238.331 2.373 20 0 BEADMN Cc1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000158546579 635699972 /nfs/dbraw/zinc/69/99/72/635699972.db2.gz YMHXLURSXFBCEE-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN Cc1ccncc1CN[C@H](C)c1ccnnc1 ZINC000926529399 632446631 /nfs/dbraw/zinc/44/66/31/632446631.db2.gz WGYVVVHWBWTGCF-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN CCn1cc([C@H](C)N[C@H](C)c2ccnnc2)cn1 ZINC000926542433 632466358 /nfs/dbraw/zinc/46/63/58/632466358.db2.gz NDWNCCRAUTUJHV-MNOVXSKESA-N 0 1 245.330 2.105 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000051322643 632505162 /nfs/dbraw/zinc/50/51/62/632505162.db2.gz UIFXGPSVGUMQBT-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN Fc1ncccc1CNC[C@H]1CCC=CO1 ZINC000309599599 632558136 /nfs/dbraw/zinc/55/81/36/632558136.db2.gz VZRQQVIKWDEUNX-LLVKDONJSA-N 0 1 222.263 2.003 20 0 BEADMN CC[C@H](N[C@H](C)c1ncco1)[C@H](O)C(C)C ZINC000926589435 632598316 /nfs/dbraw/zinc/59/83/16/632598316.db2.gz MPWOGDCMFZEWFL-OUAUKWLOSA-N 0 1 226.320 2.121 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1C[C@H]1C1CCC1 ZINC000926609788 632649787 /nfs/dbraw/zinc/64/97/87/632649787.db2.gz AOJUGGJGRMNIKP-ZHAHWJHGSA-N 0 1 235.331 2.465 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](CC)CC1=O ZINC000176941488 632650266 /nfs/dbraw/zinc/65/02/66/632650266.db2.gz XGMJQFRIYSOOQM-NWDGAFQWSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1nonc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000235306191 632655871 /nfs/dbraw/zinc/65/58/71/632655871.db2.gz PWSCEXBGEWWKSU-MWLCHTKSSA-N 0 1 223.320 2.294 20 0 BEADMN CCCCOCCCN[C@@H](C)c1nonc1C ZINC000924524652 632659593 /nfs/dbraw/zinc/65/95/93/632659593.db2.gz ABOKXJIUWBZIKF-JTQLQIEISA-N 0 1 241.335 2.235 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCc1ccccc1 ZINC000235356801 632677306 /nfs/dbraw/zinc/67/73/06/632677306.db2.gz WHQMTPWJYPIPFB-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@H](NCCC1=CCCCC1)c1cnn(C)n1 ZINC000924528698 632702319 /nfs/dbraw/zinc/70/23/19/632702319.db2.gz PHCQXMAZDNGXIA-NSHDSACASA-N 0 1 234.347 2.356 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](C)C1(C)CC1 ZINC000177232396 632788796 /nfs/dbraw/zinc/78/87/96/632788796.db2.gz AFGZWFKUDMMVAB-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN Cc1nonc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000235615360 632798250 /nfs/dbraw/zinc/79/82/50/632798250.db2.gz PWSCEXBGEWWKSU-GXSJLCMTSA-N 0 1 223.320 2.294 20 0 BEADMN C[C@H](NCc1cccs1)c1ccnnc1 ZINC000924556035 632833331 /nfs/dbraw/zinc/83/33/31/632833331.db2.gz BSRSAFKRFSWAQM-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000935597846 632851888 /nfs/dbraw/zinc/85/18/88/632851888.db2.gz OSILAEZBUGRMDM-HBNTYKKESA-N 0 1 248.330 2.350 20 0 BEADMN Cc1cc(C)nc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000310722759 632919386 /nfs/dbraw/zinc/91/93/86/632919386.db2.gz RWFAYFQVTUZVRJ-JTQLQIEISA-N 0 1 244.298 2.173 20 0 BEADMN CCC[C@@H](NCCO)c1ncccc1Cl ZINC000924570824 632925305 /nfs/dbraw/zinc/92/53/05/632925305.db2.gz QEVAIJGIIDSQBW-SNVBAGLBSA-N 0 1 228.723 2.158 20 0 BEADMN CCOc1cccc(CN[C@H]2C=CCC2)n1 ZINC000850359028 632970651 /nfs/dbraw/zinc/97/06/51/632970651.db2.gz TZAUOBGERFDEQW-NSHDSACASA-N 0 1 218.300 2.289 20 0 BEADMN CC(C)(NCC[C@@H]1CCOC1)C(F)F ZINC000393680043 632980451 /nfs/dbraw/zinc/98/04/51/632980451.db2.gz WLZZJQHBNSJYGL-MRVPVSSYSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H](CNCc1csnn1)C(C)(C)C ZINC000162612184 633034049 /nfs/dbraw/zinc/03/40/49/633034049.db2.gz VBBYYFRKGOVFNL-QMMMGPOBSA-N 0 1 213.350 2.310 20 0 BEADMN CCc1cc(CN[C@H](C)C2(Cl)CC2)[nH]n1 ZINC000925061667 635881865 /nfs/dbraw/zinc/88/18/65/635881865.db2.gz KJCMFOZGIMJNSS-MRVPVSSYSA-N 0 1 227.739 2.222 20 0 BEADMN Cc1nonc1[C@H](C)NCCCOCC(C)C ZINC000924581630 633049805 /nfs/dbraw/zinc/04/98/05/633049805.db2.gz DWCZBZWARMCFQV-JTQLQIEISA-N 0 1 241.335 2.091 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccoc2)[nH]n1 ZINC000309458661 633090059 /nfs/dbraw/zinc/09/00/59/633090059.db2.gz NHFLFBSHFTVCOG-VIFPVBQESA-N 0 1 219.288 2.416 20 0 BEADMN CCCCCCCNC(=O)[C@@H]1CCCN1C ZINC000166787327 633122368 /nfs/dbraw/zinc/12/23/68/633122368.db2.gz XECFJLZSKIMRMB-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CCc1ccc([C@@H](C)NCC[S@@](=O)CC)o1 ZINC000167535708 633130292 /nfs/dbraw/zinc/13/02/92/633130292.db2.gz LNBRRHFZQCPNIZ-QLJPJBMISA-N 0 1 243.372 2.261 20 0 BEADMN CCc1ccc([C@H](C)NCC[S@](=O)CC)o1 ZINC000167536044 633131638 /nfs/dbraw/zinc/13/16/38/633131638.db2.gz LNBRRHFZQCPNIZ-QFYYESIMSA-N 0 1 243.372 2.261 20 0 BEADMN C[C@@H](CCCCO)N[C@@H]1CCCC1(F)F ZINC000394424211 633191347 /nfs/dbraw/zinc/19/13/47/633191347.db2.gz TWACIOWBEQNPFY-VHSXEESVSA-N 0 1 221.291 2.315 20 0 BEADMN Cc1ccc([C@H](O)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000278886095 633214351 /nfs/dbraw/zinc/21/43/51/633214351.db2.gz HHQBXZZSMOCMJX-WCQYABFASA-N 0 1 245.326 2.102 20 0 BEADMN CC(C)(F)CNc1nc(Cl)nc2[nH]cnc21 ZINC000894856397 635954763 /nfs/dbraw/zinc/95/47/63/635954763.db2.gz ICAPFLOIPXWNAC-UHFFFAOYSA-N 0 1 243.673 2.118 20 0 BEADMN CC1=C(Br)CN(CC(C)(C)O)CC1 ZINC000306753900 635975305 /nfs/dbraw/zinc/97/53/05/635975305.db2.gz JWVQRUSZXQMTDR-UHFFFAOYSA-N 0 1 248.164 2.132 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1ocnc1C ZINC000894941119 636010370 /nfs/dbraw/zinc/01/03/70/636010370.db2.gz DQZGJELHUZODLP-GHMZBOCLSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H]1CCCC[C@H]1NCc1cnsn1 ZINC000307086325 635981486 /nfs/dbraw/zinc/98/14/86/635981486.db2.gz KERXYFLWOXCFDU-PSASIEDQSA-N 0 1 211.334 2.206 20 0 BEADMN CC(Cl)(Cl)c1nc([C@@H]2CCCN2)no1 ZINC000307370974 635987028 /nfs/dbraw/zinc/98/70/28/635987028.db2.gz SSSMLVYQQDVQDM-YFKPBYRVSA-N 0 1 236.102 2.144 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)Cc2cnc[nH]2)c1 ZINC000909424214 636030608 /nfs/dbraw/zinc/03/06/08/636030608.db2.gz MTNUIEFSUAHKFZ-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN CCCCC[C@H](CC)C(=O)NC[C@H]1CCN1C ZINC000928554674 636091054 /nfs/dbraw/zinc/09/10/54/636091054.db2.gz JZLNUDNOXHRBCQ-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCN1C ZINC000928556642 636095565 /nfs/dbraw/zinc/09/55/65/636095565.db2.gz UFSGGRTUMLXGAJ-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](CCO)N[C@H]1CCCc2oc(C)nc21 ZINC000925118751 636099957 /nfs/dbraw/zinc/09/99/57/636099957.db2.gz BGOYSLIQRDKYJI-MNOVXSKESA-N 0 1 238.331 2.111 20 0 BEADMN CCC1(C(=O)NC[C@@H]2CCN2C)CCCCC1 ZINC000928558374 636100131 /nfs/dbraw/zinc/10/01/31/636100131.db2.gz KOYKTGDRFJJHAE-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCC(C)(C)C(=O)NC[C@@H]1CCN1C ZINC000928561319 636107913 /nfs/dbraw/zinc/10/79/13/636107913.db2.gz AIJDRTLIGBARTG-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)on1 ZINC000925125661 636128757 /nfs/dbraw/zinc/12/87/57/636128757.db2.gz CLIXWQBIUREGJR-SECBINFHSA-N 0 1 247.298 2.188 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1nsc2ccccc12 ZINC000926863423 633728900 /nfs/dbraw/zinc/72/89/00/633728900.db2.gz DMLKHKRGFQRWSO-CABZTGNLSA-N 0 1 248.351 2.421 20 0 BEADMN CC[S@](=O)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000309894051 633911462 /nfs/dbraw/zinc/91/14/62/633911462.db2.gz FBHRZRDGFLTTCH-HWPZZCPQSA-N 0 1 243.372 2.316 20 0 BEADMN CCOC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000309419895 633917071 /nfs/dbraw/zinc/91/70/71/633917071.db2.gz DLAAZJFSIBAEFX-SECBINFHSA-N 0 1 240.372 2.146 20 0 BEADMN CCc1cc(CNc2ncncc2Cl)n[nH]1 ZINC000309916186 633935295 /nfs/dbraw/zinc/93/52/95/633935295.db2.gz PMSOIHPOHIBCPM-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN CCOC(CCNCc1nccs1)OCC ZINC000309929409 633952859 /nfs/dbraw/zinc/95/28/59/633952859.db2.gz XDIOJHMKNYHJHU-UHFFFAOYSA-N 0 1 244.360 2.022 20 0 BEADMN CC1(C)CC[C@@H]1NCc1noc2c1COCC2 ZINC000930630360 633957241 /nfs/dbraw/zinc/95/72/41/633957241.db2.gz AYCGZULYDYTPEM-LBPRGKRZSA-N 0 1 236.315 2.026 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ncccn2)C1(C)C ZINC000930633654 633961614 /nfs/dbraw/zinc/96/16/14/633961614.db2.gz RHFMGMOHZPXUCP-DDHJBXDOSA-N 0 1 249.358 2.187 20 0 BEADMN C[C@@H](NC1(C)CC(F)(F)C1)c1cnccn1 ZINC000895477281 636149941 /nfs/dbraw/zinc/14/99/41/636149941.db2.gz GDFJVZGLXXDWNZ-MRVPVSSYSA-N 0 1 227.258 2.315 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCCC3(CC3)C2)C1 ZINC000184863758 634023153 /nfs/dbraw/zinc/02/31/53/634023153.db2.gz ZGGWJSJUTPHNET-GFCCVEGCSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H]1C ZINC000895518463 636156259 /nfs/dbraw/zinc/15/62/59/636156259.db2.gz PJCXNJMKYWTOLD-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)n1cc(CN2CCC(F)CC2)cn1 ZINC000895550518 636157531 /nfs/dbraw/zinc/15/75/31/636157531.db2.gz RMJZJURFETVCCL-UHFFFAOYSA-N 0 1 225.311 2.398 20 0 BEADMN Cc1occc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564221 636158360 /nfs/dbraw/zinc/15/83/60/636158360.db2.gz BIAMDOCBKSZJEA-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN CCOc1cncc(CN2CC[C@H](CF)C2)c1 ZINC000895568119 636159338 /nfs/dbraw/zinc/15/93/38/636159338.db2.gz MOIZQSQNMRIJFQ-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)o1 ZINC000895569398 636159911 /nfs/dbraw/zinc/15/99/11/636159911.db2.gz UAIYEWNXVPJXOZ-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN CC(C)CCOC(=O)CCCCc1cn[nH]n1 ZINC000185501753 634048402 /nfs/dbraw/zinc/04/84/02/634048402.db2.gz RFRIRVJQIPEQPS-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)OC2(CCC2)C1 ZINC000930828470 634127929 /nfs/dbraw/zinc/12/79/29/634127929.db2.gz YOBGQVFKLJAMBF-XLVZXTRVSA-N 0 1 239.359 2.223 20 0 BEADMN COc1nnc(CN[C@H](C)C(C)(C)C)s1 ZINC000930862906 634143079 /nfs/dbraw/zinc/14/30/79/634143079.db2.gz LZFLSAOUNJJANK-SSDOTTSWSA-N 0 1 229.349 2.071 20 0 BEADMN C[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189279799 634176115 /nfs/dbraw/zinc/17/61/15/634176115.db2.gz DNZBFUQORLOQBU-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN CCCCCCN[C@@H](C)c1nnnn1C1CC1 ZINC000191484991 634213921 /nfs/dbraw/zinc/21/39/21/634213921.db2.gz FFYCWVHTIAOORN-JTQLQIEISA-N 0 1 237.351 2.239 20 0 BEADMN C[C@H](CNCc1csnn1)C(C)(C)C ZINC000162612311 634230258 /nfs/dbraw/zinc/23/02/58/634230258.db2.gz VBBYYFRKGOVFNL-MRVPVSSYSA-N 0 1 213.350 2.310 20 0 BEADMN Cc1nc2c(c(=O)[nH]1)C[N@@H+](C[C@@H](C)C(C)(C)C)C2 ZINC000931311520 634327994 /nfs/dbraw/zinc/32/79/94/634327994.db2.gz IZTUTXBUUPHFLF-SECBINFHSA-N 0 1 249.358 2.488 20 0 BEADMN CN(CCC1CC1)CN1C(=O)C(C)(C)C1(C)C ZINC000162894386 635164635 /nfs/dbraw/zinc/16/46/35/635164635.db2.gz AFWYTFBKMKIXMJ-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000258842118 635211664 /nfs/dbraw/zinc/21/16/64/635211664.db2.gz IAYPGXJFZGGYER-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])cc1C ZINC000258988099 635232125 /nfs/dbraw/zinc/23/21/25/635232125.db2.gz YSPHVKMAGPBEGU-UONOGXRCSA-N 0 1 247.338 2.456 20 0 BEADMN CC(C)[C@@H]1C[C@@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925862615 635561335 /nfs/dbraw/zinc/56/13/35/635561335.db2.gz WAQHHRICFYRDIK-BYCMXARLSA-N 0 1 246.354 2.364 20 0 BEADMN CC(C)[C@@H]1C[C@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925862618 635561768 /nfs/dbraw/zinc/56/17/68/635561768.db2.gz WAQHHRICFYRDIK-UGFHNGPFSA-N 0 1 246.354 2.364 20 0 BEADMN C[C@H]1CC[C@@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925865322 635563359 /nfs/dbraw/zinc/56/33/59/635563359.db2.gz NZCIQFYMUROHJB-MISXGVKJSA-N 0 1 232.327 2.118 20 0 BEADMN CC(C)CONC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000866897536 635625025 /nfs/dbraw/zinc/62/50/25/635625025.db2.gz XREVTVICPZWEQF-NSHDSACASA-N 0 1 243.347 2.286 20 0 BEADMN CSCC[C@H](C)N[C@@H](C)c1ncco1 ZINC000925096746 636003488 /nfs/dbraw/zinc/00/34/88/636003488.db2.gz PFPCRVJOYQIXNC-IUCAKERBSA-N 0 1 214.334 2.467 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)[C@H]1CCCN1C ZINC000909566018 636254587 /nfs/dbraw/zinc/25/45/87/636254587.db2.gz GKSDOMLNPQJOSK-OUCADQQQSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)c1[nH]ncc1F ZINC000909566668 636255473 /nfs/dbraw/zinc/25/54/73/636255473.db2.gz JOKOEEYQMQXKGO-UFBFGSQYSA-N 0 1 239.294 2.247 20 0 BEADMN C[C@H]1C[C@H](NCCCC(F)(F)F)c2ncnn21 ZINC000925191796 636369702 /nfs/dbraw/zinc/36/97/02/636369702.db2.gz RYISTLKQEJYXKS-YUMQZZPRSA-N 0 1 248.252 2.216 20 0 BEADMN C[C@H]1C[C@@H](NCCCC(F)(F)F)c2ncnn21 ZINC000925191788 636369928 /nfs/dbraw/zinc/36/99/28/636369928.db2.gz RYISTLKQEJYXKS-JGVFFNPUSA-N 0 1 248.252 2.216 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H](C)c1ccncc1 ZINC000925227428 636432599 /nfs/dbraw/zinc/43/25/99/636432599.db2.gz ZEQBZKPQMZVARV-VHSXEESVSA-N 0 1 246.314 2.227 20 0 BEADMN C[C@@H](NC[C@@H]1CCCS1)c1ncco1 ZINC000925256090 636527885 /nfs/dbraw/zinc/52/78/85/636527885.db2.gz CYQMOZZDTFCWMJ-BDAKNGLRSA-N 0 1 212.318 2.221 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)CCCO ZINC000925256750 636533620 /nfs/dbraw/zinc/53/36/20/636533620.db2.gz IMPKCHJJLHQBOD-GXSJLCMTSA-N 0 1 238.331 2.111 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)CCCO ZINC000925256753 636534084 /nfs/dbraw/zinc/53/40/84/636534084.db2.gz IMPKCHJJLHQBOD-KOLCDFICSA-N 0 1 238.331 2.111 20 0 BEADMN CN(CC(=O)NC(C)(C)/C=C/Cl)C1CCC1 ZINC000928932856 636534802 /nfs/dbraw/zinc/53/48/02/636534802.db2.gz XPMWVGNFLQBHGI-BQYQJAHWSA-N 0 1 244.766 2.118 20 0 BEADMN CC[C@H](C(=O)Nc1c[nH]c2ccccc12)N(C)C ZINC000888113666 636631410 /nfs/dbraw/zinc/63/14/10/636631410.db2.gz MHOOKQMUQHASJU-CYBMUJFWSA-N 0 1 245.326 2.447 20 0 BEADMN CC[C@@H](C(=O)Nc1c[nH]c2ccccc12)N(C)C ZINC000888113667 636632633 /nfs/dbraw/zinc/63/26/33/636632633.db2.gz MHOOKQMUQHASJU-ZDUSSCGKSA-N 0 1 245.326 2.447 20 0 BEADMN Cc1occc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000321514827 636649301 /nfs/dbraw/zinc/64/93/01/636649301.db2.gz NINNEWOIYFJCBT-UHFFFAOYSA-N 0 1 223.272 2.027 20 0 BEADMN CC[C@H](O)CCN[C@@H]1CCCc2oc(C)nc21 ZINC000925282428 636710438 /nfs/dbraw/zinc/71/04/38/636710438.db2.gz OMRMFLVLRHPNNQ-WDEREUQCSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000897495940 636724078 /nfs/dbraw/zinc/72/40/78/636724078.db2.gz HCGDQKMVWQTDLN-IJLUTSLNSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1ncoc1CNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897503849 636729111 /nfs/dbraw/zinc/72/91/11/636729111.db2.gz RYMIIZDXLVSWHV-NEPJUHHUSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@@H](NCC(C)(C)CCCO)c1ncco1 ZINC000925300385 636802073 /nfs/dbraw/zinc/80/20/73/636802073.db2.gz LNLBQBPEMWVLMA-SNVBAGLBSA-N 0 1 226.320 2.124 20 0 BEADMN CCC[C@@H](O)CCCSCc1n[nH]c(C)n1 ZINC000865379465 636814285 /nfs/dbraw/zinc/81/42/85/636814285.db2.gz SSQPGBTXUYQSNT-SNVBAGLBSA-N 0 1 243.376 2.288 20 0 BEADMN CCCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000152576924 636830124 /nfs/dbraw/zinc/83/01/24/636830124.db2.gz MSRLBOQALSLZRX-LBPRGKRZSA-N 0 1 228.380 2.412 20 0 BEADMN CC(C)[C@@H](N)c1noc(CC2CCCC2)n1 ZINC000041052672 636957334 /nfs/dbraw/zinc/95/73/34/636957334.db2.gz QTTFFIGVWFYIEF-LLVKDONJSA-N 0 1 223.320 2.458 20 0 BEADMN CC(C)CCc1nc([C@@H](N)C(C)C)no1 ZINC000041052622 636959279 /nfs/dbraw/zinc/95/92/79/636959279.db2.gz LUWSOAZQLGRKMV-JTQLQIEISA-N 0 1 211.309 2.314 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@]2(C)CCCCO2)c2nccn21 ZINC000927023150 636993829 /nfs/dbraw/zinc/99/38/29/636993829.db2.gz UMAHIAIZDJKXMP-MBNYWOFBSA-N 0 1 249.358 2.438 20 0 BEADMN CSCCCOC(=O)[C@H]1CCCN1C(C)C ZINC000923890823 637005200 /nfs/dbraw/zinc/00/52/00/637005200.db2.gz UWLRRSLZAFBAEU-LLVKDONJSA-N 0 1 245.388 2.156 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CCC2)nc(C)n1 ZINC000041574217 637011004 /nfs/dbraw/zinc/01/10/04/637011004.db2.gz PMKMZVLUBQADHZ-LLVKDONJSA-N 0 1 229.283 2.070 20 0 BEADMN CCC1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000900139680 637171690 /nfs/dbraw/zinc/17/16/90/637171690.db2.gz BKLDKRRFPIWNFT-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(C)nc2C)[nH]1 ZINC000901012526 637221478 /nfs/dbraw/zinc/22/14/78/637221478.db2.gz FLKPDFRAPSGXJR-UHFFFAOYSA-N 0 1 244.298 2.291 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1nccc2ccccc21 ZINC000901427007 637250726 /nfs/dbraw/zinc/25/07/26/637250726.db2.gz XTDXQAQYQBTIOK-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN Cc1ccc([C@@H](C)C[N@@H+](C)CC(=O)[O-])cc1 ZINC000901575316 637268243 /nfs/dbraw/zinc/26/82/43/637268243.db2.gz NZWXSHFGTSJVHJ-NSHDSACASA-N 0 1 221.300 2.115 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@]2(C)C=CCC2)n1 ZINC000904500340 637428116 /nfs/dbraw/zinc/42/81/16/637428116.db2.gz KYDHFDIVXAMHQD-BXKDBHETSA-N 0 1 221.304 2.333 20 0 BEADMN CN(C)Cc1ccc(-c2nccn2C)cc1F ZINC000904759168 637461020 /nfs/dbraw/zinc/46/10/20/637461020.db2.gz DVBVLZHVZVRNTB-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CC[C@@](O)(CNCc1ccoc1)C(F)(F)F ZINC000905069351 637601511 /nfs/dbraw/zinc/60/15/11/637601511.db2.gz VXGPPLDCGQKBQB-SECBINFHSA-N 0 1 237.221 2.073 20 0 BEADMN CC1(C[S@@](=O)Cc2c[nH]nn2)CCCCC1 ZINC000905170892 637680763 /nfs/dbraw/zinc/68/07/63/637680763.db2.gz LUGGRJHDNRFURD-INIZCTEOSA-N 0 1 241.360 2.024 20 0 BEADMN C[N@@H+](CCCCF)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905368789 637789262 /nfs/dbraw/zinc/78/92/62/637789262.db2.gz AVMJCTXJMBMLJV-GFCCVEGCSA-N 0 1 239.290 2.494 20 0 BEADMN O[C@H](CN[C@H]1c2ccccc2CC[C@H]1F)C1CC1 ZINC000905451034 637809422 /nfs/dbraw/zinc/80/94/22/637809422.db2.gz CNRISBYPSFZDEI-KFWWJZLASA-N 0 1 249.329 2.373 20 0 BEADMN CC[C@H](O)CN[C@@H]1c2ccccc2CC[C@H]1F ZINC000905453087 637811775 /nfs/dbraw/zinc/81/17/75/637811775.db2.gz NOSFPQXJZXXTBB-IACUBPJLSA-N 0 1 237.318 2.373 20 0 BEADMN Cn1ccc(CN2CCO[C@@](C)(C3CC3)C2)c1 ZINC000668464387 637837571 /nfs/dbraw/zinc/83/75/71/637837571.db2.gz YCQDMDNKTOUNFT-CQSZACIVSA-N 0 1 234.343 2.026 20 0 BEADMN CCc1oc(C[NH2+]C/C=C/Cl)cc1C(=O)[O-] ZINC000905809532 637936716 /nfs/dbraw/zinc/93/67/16/637936716.db2.gz BZBFRDMFCRFZNU-ONEGZZNKSA-N 0 1 243.690 2.382 20 0 BEADMN C[C@H]1CCCCN1CC[S@](=O)C(F)(F)F ZINC000905874874 637958247 /nfs/dbraw/zinc/95/82/47/637958247.db2.gz OCRFEKJVJMSMOP-AYVTZFPOSA-N 0 1 243.294 2.129 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@]23C[C@H]2CCCC3)c1C ZINC000927445344 638053733 /nfs/dbraw/zinc/05/37/33/638053733.db2.gz UTYZRJRCCMGWEA-RISCZKNCSA-N 0 1 247.342 2.337 20 0 BEADMN CNCc1ncc(-c2csc(COC)c2)cn1 ZINC000906179335 638090888 /nfs/dbraw/zinc/09/08/88/638090888.db2.gz NQRFVBQIVXMFPK-UHFFFAOYSA-N 0 1 249.339 2.071 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1cn(C2CC2)nn1 ZINC000906253099 638117032 /nfs/dbraw/zinc/11/70/32/638117032.db2.gz LJLSCEBPPOUVLZ-JTQLQIEISA-N 0 1 222.336 2.089 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cn(C2CC2)nn1 ZINC000906270397 638124383 /nfs/dbraw/zinc/12/43/83/638124383.db2.gz VRPXTJKOCJDBQJ-SNVBAGLBSA-N 0 1 222.336 2.091 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cc2cn(C3CC3)nn2)C1 ZINC000906282985 638126834 /nfs/dbraw/zinc/12/68/34/638126834.db2.gz KPUGMDVIWMHFEC-LLVKDONJSA-N 0 1 248.374 2.481 20 0 BEADMN c1c(CN(CC2CC2)CC2CC2)nnn1C1CC1 ZINC000906277593 638126955 /nfs/dbraw/zinc/12/69/55/638126955.db2.gz WLVKISJFYBPPTO-UHFFFAOYSA-N 0 1 246.358 2.235 20 0 BEADMN CN(Cc1cn(C2CC2)nn1)CC1CCCC1 ZINC000906261140 638129182 /nfs/dbraw/zinc/12/91/82/638129182.db2.gz ONORIIPEVPPXBP-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN C[C@@H]1CCCCN(Cc2cn(C3CC3)nn2)C1 ZINC000906297520 638136788 /nfs/dbraw/zinc/13/67/88/638136788.db2.gz VJWPZVWTHJTMNH-LLVKDONJSA-N 0 1 234.347 2.235 20 0 BEADMN CC[N@@H+](Cc1cn(C2CC2)nn1)CC(C)(C)C ZINC000906304873 638139586 /nfs/dbraw/zinc/13/95/86/638139586.db2.gz VESXJDJBMUGTRV-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN CCN(Cc1cn(C2CC2)nn1)CC(C)(C)C ZINC000906304873 638139591 /nfs/dbraw/zinc/13/95/91/638139591.db2.gz VESXJDJBMUGTRV-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906303294 638139613 /nfs/dbraw/zinc/13/96/13/638139613.db2.gz ULBKZNRVJCDVQT-UTUOFQBUSA-N 0 1 248.374 2.479 20 0 BEADMN c1c(CNC2(C3CCC3)CC2)nnn1C1CC1 ZINC000906314415 638140501 /nfs/dbraw/zinc/14/05/01/638140501.db2.gz BSYMFPQTYZYOJV-UHFFFAOYSA-N 0 1 232.331 2.035 20 0 BEADMN CCCC[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000906532037 638199634 /nfs/dbraw/zinc/19/96/34/638199634.db2.gz WXTZZDDVXIUASA-STQMWFEESA-N 0 1 209.333 2.430 20 0 BEADMN CCCCNCc1nccc(C(F)F)n1 ZINC000906531637 638200247 /nfs/dbraw/zinc/20/02/47/638200247.db2.gz PMNMUSAJWOMIQT-UHFFFAOYSA-N 0 1 215.247 2.304 20 0 BEADMN CCc1cc(CNC(=O)C2(C3CC3)CCC2)n[nH]1 ZINC000906669538 638230133 /nfs/dbraw/zinc/23/01/33/638230133.db2.gz RJVPCAIUCDCBQT-UHFFFAOYSA-N 0 1 247.342 2.169 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)CC1 ZINC000907630649 638424433 /nfs/dbraw/zinc/42/44/33/638424433.db2.gz MZLGYAQRADCMAP-RKDXNWHRSA-N 0 1 239.294 2.247 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC000907630643 638424443 /nfs/dbraw/zinc/42/44/43/638424443.db2.gz MZLGYAQRADCMAP-BDAKNGLRSA-N 0 1 239.294 2.247 20 0 BEADMN O=C(Cc1cnc[nH]1)NC(C1CCC1)C1CCC1 ZINC000908171452 638586006 /nfs/dbraw/zinc/58/60/06/638586006.db2.gz YIEDOLRSCBUJIU-UHFFFAOYSA-N 0 1 247.342 2.037 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000043585473 638624563 /nfs/dbraw/zinc/62/45/63/638624563.db2.gz IBAYKRGPBRWBPT-NSHDSACASA-N 0 1 237.299 2.356 20 0 BEADMN CCCC1(C(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000908701259 639052610 /nfs/dbraw/zinc/05/26/10/639052610.db2.gz WREXSEUYSPLCTA-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN Nc1cccc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000149764600 639119289 /nfs/dbraw/zinc/11/92/89/639119289.db2.gz RNMQFZAIROCESM-LLVKDONJSA-N 0 1 244.298 2.133 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Cc1c[nH]cn1 ZINC000909052760 639132242 /nfs/dbraw/zinc/13/22/42/639132242.db2.gz SMKCWSGDAHODBE-TZMCWYRMSA-N 0 1 249.358 2.091 20 0 BEADMN O=c1sccn1CN1CCC[C@@H]1C1CCC1 ZINC000746617414 639290387 /nfs/dbraw/zinc/29/03/87/639290387.db2.gz CYKIOXZGVWGWAY-LLVKDONJSA-N 0 1 238.356 2.132 20 0 BEADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CC=CC1 ZINC000910011721 639329679 /nfs/dbraw/zinc/32/96/79/639329679.db2.gz VJMHDNVCCZRNGF-UHFFFAOYSA-N 0 1 245.326 2.469 20 0 BEADMN Cc1cccc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])[nH+]1 ZINC000910457199 639455535 /nfs/dbraw/zinc/45/55/35/639455535.db2.gz UPLXOGNUTKKZGH-GVXVVHGQSA-N 0 1 246.310 2.080 20 0 BEADMN CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000910470520 639462738 /nfs/dbraw/zinc/46/27/38/639462738.db2.gz SEFWNOMBQOPQPD-NWDGAFQWSA-N 0 1 249.358 2.283 20 0 BEADMN COC/C(C)=C\CN1CC[C@H](C)[C@H](F)C1 ZINC000930244547 639650922 /nfs/dbraw/zinc/65/09/22/639650922.db2.gz NWSQCNZNWRAALQ-WJQOWHFOSA-N 0 1 215.312 2.259 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252570 639660965 /nfs/dbraw/zinc/66/09/65/639660965.db2.gz ZCRGFAYQHCLVMS-FJPKDLMDSA-N 0 1 227.348 2.077 20 0 BEADMN c1cc(CCN2CCC[C@@H]2c2cc[nH]n2)sn1 ZINC000930263684 639669983 /nfs/dbraw/zinc/66/99/83/639669983.db2.gz MXNNSGVUISZTMZ-GFCCVEGCSA-N 0 1 248.355 2.246 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C1CCC1 ZINC000911606903 639675146 /nfs/dbraw/zinc/67/51/46/639675146.db2.gz UVSRGSFHBZIPHO-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN COC/C(C)=C\CN1CCC(F)(F)CC1 ZINC000930292934 639684153 /nfs/dbraw/zinc/68/41/53/639684153.db2.gz LPKZZXGSPAXOSQ-KMKOMSMNSA-N 0 1 219.275 2.310 20 0 BEADMN CC[C@@H]1C[C@H]1CN1C[C@@H](C)[S@@](=O)[C@H](CC)C1 ZINC000930455675 639758760 /nfs/dbraw/zinc/75/87/60/639758760.db2.gz RAMROFLGJXDNBW-GUYIQFIESA-N 0 1 243.416 2.264 20 0 BEADMN CC[C@@H]1CN(CC2CC(C)C2)C[C@H](C)[S@@]1=O ZINC000930457760 639762230 /nfs/dbraw/zinc/76/22/30/639762230.db2.gz GMOGFSVTEHVZMA-LJQPTYIYSA-N 0 1 243.416 2.264 20 0 BEADMN CCN(C[C@H](C)OC)[C@@H](C)c1snnc1C ZINC000930541512 639808499 /nfs/dbraw/zinc/80/84/99/639808499.db2.gz VIVNYCZMAUJKET-WPRPVWTQSA-N 0 1 243.376 2.264 20 0 BEADMN Cc1cn(C)nc1CN1CCC(C2CC2)CC1 ZINC000930543990 639809172 /nfs/dbraw/zinc/80/91/72/639809172.db2.gz BSJWFPRUDREQFY-UHFFFAOYSA-N 0 1 233.359 2.351 20 0 BEADMN C[C@@H]1CN(CCOC2CC2)Cc2ccccc2O1 ZINC000930556226 639811022 /nfs/dbraw/zinc/81/10/22/639811022.db2.gz KRXQGIACXCLVGJ-GFCCVEGCSA-N 0 1 247.338 2.449 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H]1C ZINC000930582821 639813988 /nfs/dbraw/zinc/81/39/88/639813988.db2.gz RSGRVFOEPRHWBB-DOLQZWNJSA-N 0 1 237.265 2.437 20 0 BEADMN CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@](C)(F)C1 ZINC000930594002 639815109 /nfs/dbraw/zinc/81/51/09/639815109.db2.gz DXWDATKRZHKVQY-LOWVWBTDSA-N 0 1 243.322 2.010 20 0 BEADMN F[C@@H]1CCN(CCCc2cccnc2)C1 ZINC000930603036 639817248 /nfs/dbraw/zinc/81/72/48/639817248.db2.gz HGMZOTZMNKDIOP-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN CCCCC1(C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1 ZINC000911795356 639818750 /nfs/dbraw/zinc/81/87/50/639818750.db2.gz JMKKQTOWQRJLIT-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1c(F)cncc1F ZINC000930639055 639837165 /nfs/dbraw/zinc/83/71/65/639837165.db2.gz FGNJKTIBEZWRIQ-VXGBXAGGSA-N 0 1 242.269 2.017 20 0 BEADMN C[C@@H](CNC(=O)c1cccc(F)c1O)C1CC1 ZINC000930643534 639841455 /nfs/dbraw/zinc/84/14/55/639841455.db2.gz BVUWJCBPSSKIMH-QMMMGPOBSA-N 0 1 237.274 2.307 20 0 BEADMN COc1cccc2c1CN(CCOC1CC1)CC2 ZINC000930648338 639843541 /nfs/dbraw/zinc/84/35/41/639843541.db2.gz SSAGVGCRJSYIHU-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN COC[C@@H]1CCCN([C@H](C)c2ncccn2)CC1 ZINC000930674708 639858404 /nfs/dbraw/zinc/85/84/04/639858404.db2.gz FSWHCXSUHYNMID-CHWSQXEVSA-N 0 1 249.358 2.286 20 0 BEADMN C/C=C(/C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912032991 639921465 /nfs/dbraw/zinc/92/14/65/639921465.db2.gz MJJPSRDCAQQZJV-RDQDRAATSA-N 0 1 238.375 2.141 20 0 BEADMN C/C=C/C=C/C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000912026517 639922061 /nfs/dbraw/zinc/92/20/61/639922061.db2.gz ISZCAMDSTFHNQQ-UEWBTKLTSA-N 0 1 236.359 2.060 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)[C@H](CC)CO1 ZINC000930853953 639950640 /nfs/dbraw/zinc/95/06/40/639950640.db2.gz XAXHQPNXFUQUFC-PISUUVGWSA-N 0 1 241.375 2.469 20 0 BEADMN C[C@@H](C1CC1)N1Cc2ccccc2NC(=O)C1 ZINC000930885898 639969752 /nfs/dbraw/zinc/96/97/52/639969752.db2.gz BZGMZAXZTGMJQH-JTQLQIEISA-N 0 1 230.311 2.239 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@H]1CCCC2(CCC2)O1 ZINC000930914471 639985188 /nfs/dbraw/zinc/98/51/88/639985188.db2.gz FCRRUFYBIDKIJY-ZDUSSCGKSA-N 0 1 249.358 2.333 20 0 BEADMN C/C(=C(/F)C(=O)N(C)Cc1cnc[nH]1)C1CC1 ZINC000912279028 640013437 /nfs/dbraw/zinc/01/34/37/640013437.db2.gz UYGJMFQYUXJSCT-FLIBITNWSA-N 0 1 237.278 2.022 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)c1[nH]ncc1F ZINC000912309068 640025551 /nfs/dbraw/zinc/02/55/51/640025551.db2.gz WVULQKVEGXNCHW-SSDOTTSWSA-N 0 1 227.283 2.103 20 0 BEADMN CC1CC(CN2CCO[C@@](C)(C(F)F)C2)C1 ZINC000931080074 640062873 /nfs/dbraw/zinc/06/28/73/640062873.db2.gz PLHIRLQPVQPUNH-RTYFJBAXSA-N 0 1 233.302 2.389 20 0 BEADMN Cc1cn(C)nc1CN(C)C[C@H]1CC1(C)C ZINC000931082275 640064500 /nfs/dbraw/zinc/06/45/00/640064500.db2.gz PNDIDBCPMBIJQY-LLVKDONJSA-N 0 1 221.348 2.206 20 0 BEADMN c1nnc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]1 ZINC000931140910 640074840 /nfs/dbraw/zinc/07/48/40/640074840.db2.gz AIEGRCAJXYDZHF-NDBYEHHHSA-N 0 1 246.358 2.378 20 0 BEADMN c1nnc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]1 ZINC000931140910 640074844 /nfs/dbraw/zinc/07/48/44/640074844.db2.gz AIEGRCAJXYDZHF-NDBYEHHHSA-N 0 1 246.358 2.378 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC(F)(F)C[C@@H]1C ZINC000931255525 640113625 /nfs/dbraw/zinc/11/36/25/640113625.db2.gz UDSAOQHQHPQUPP-ZKXNXJMVSA-N 0 1 247.285 2.225 20 0 BEADMN Cc1nnc(CCN2CCC(F)(F)C[C@H]2C)o1 ZINC000931254030 640116652 /nfs/dbraw/zinc/11/66/52/640116652.db2.gz FZLBZACVVRBODO-MRVPVSSYSA-N 0 1 245.273 2.040 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)Cc1c[nH]cn1 ZINC000912716440 640174871 /nfs/dbraw/zinc/17/48/71/640174871.db2.gz GXPBWEREQHNZOO-CMPLNLGQSA-N 0 1 235.331 2.132 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N)c2)Cc2c[nH]nc21 ZINC000931462232 640224869 /nfs/dbraw/zinc/22/48/69/640224869.db2.gz LWOWRKSWRUBIFI-SNVBAGLBSA-N 0 1 242.326 2.111 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N1CCC(C)(F)CC1 ZINC000931503761 640236619 /nfs/dbraw/zinc/23/66/19/640236619.db2.gz JWSVJJKSVZRNEV-GHMZBOCLSA-N 0 1 245.338 2.398 20 0 BEADMN CC(C(=O)N1CC[C@H](N2CCC2)C1)=C1CCCC1 ZINC000912916502 640239668 /nfs/dbraw/zinc/23/96/68/640239668.db2.gz YDUKGLUOLSRFKJ-AWEZNQCLSA-N 0 1 248.370 2.184 20 0 BEADMN CCO[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000151074102 640289633 /nfs/dbraw/zinc/28/96/33/640289633.db2.gz FLXFXKVULHOPFR-RWCYGVJQSA-N 0 1 203.713 2.240 20 0 BEADMN CCO[C@H]1CCCN(C/C=C/Cl)C1 ZINC000151074102 640289645 /nfs/dbraw/zinc/28/96/45/640289645.db2.gz FLXFXKVULHOPFR-RWCYGVJQSA-N 0 1 203.713 2.240 20 0 BEADMN C[N@@H+](CC(=O)Nc1ccns1)CC(C)(C)C ZINC000913057723 640295250 /nfs/dbraw/zinc/29/52/50/640295250.db2.gz TZYROCZHICVFPA-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN CN(CC(=O)Nc1ccns1)CC(C)(C)C ZINC000913057723 640295251 /nfs/dbraw/zinc/29/52/51/640295251.db2.gz TZYROCZHICVFPA-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN C[C@H](c1ncccn1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931753961 640350527 /nfs/dbraw/zinc/35/05/27/640350527.db2.gz WZQIYXSLWJYWNQ-UPJWGTAASA-N 0 1 247.342 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931753961 640350531 /nfs/dbraw/zinc/35/05/31/640350531.db2.gz WZQIYXSLWJYWNQ-UPJWGTAASA-N 0 1 247.342 2.039 20 0 BEADMN C[C@@H](NC1(C2CC2)CCC1)c1ncccn1 ZINC000931765351 640357628 /nfs/dbraw/zinc/35/76/28/640357628.db2.gz YZFRCFVAUUORSN-SNVBAGLBSA-N 0 1 217.316 2.460 20 0 BEADMN COc1ccc(NCc2cnc[nH]2)cc1OC ZINC000054763112 640403697 /nfs/dbraw/zinc/40/36/97/640403697.db2.gz NXWGGYRASRWWQI-UHFFFAOYSA-N 0 1 233.271 2.039 20 0 BEADMN c1cc2c(o1)CCC[C@H]2NCc1cnc[nH]1 ZINC000054763872 640404153 /nfs/dbraw/zinc/40/41/53/640404153.db2.gz RNLMBMJRRGWMMQ-LLVKDONJSA-N 0 1 217.272 2.170 20 0 BEADMN C[C@@H](NCc1c[nH]cn1)c1cccs1 ZINC000054763757 640405068 /nfs/dbraw/zinc/40/50/68/640405068.db2.gz DEEIZVUJIFQZIT-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN c1ncc(CNc2ccc(N3CCCC3)nc2)[nH]1 ZINC000054764453 640406190 /nfs/dbraw/zinc/40/61/90/640406190.db2.gz VBDJJDFBYIPCAW-UHFFFAOYSA-N 0 1 243.314 2.017 20 0 BEADMN COCCOc1cccc(NCc2cnc[nH]2)c1 ZINC000054765061 640408468 /nfs/dbraw/zinc/40/84/68/640408468.db2.gz CFYQVQRJEKWXMJ-UHFFFAOYSA-N 0 1 247.298 2.047 20 0 BEADMN CCOCc1ccccc1CNCc1c[nH]cn1 ZINC000054765016 640408478 /nfs/dbraw/zinc/40/84/78/640408478.db2.gz OAAIVOZBLXGVBI-UHFFFAOYSA-N 0 1 245.326 2.236 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H](C)C2CC2)n1 ZINC000164055657 640438684 /nfs/dbraw/zinc/43/86/84/640438684.db2.gz BWFMOZKHPIWINJ-IONNQARKSA-N 0 1 209.293 2.239 20 0 BEADMN Cc1ccc([C@H](O)CNCc2ccoc2)o1 ZINC000164394743 640475581 /nfs/dbraw/zinc/47/55/81/640475581.db2.gz GENHIPQWJJDUHT-LLVKDONJSA-N 0 1 221.256 2.004 20 0 BEADMN Cc1cncc(CN2CCO[C@@H](C)CC2)c1 ZINC000932335150 640476253 /nfs/dbraw/zinc/47/62/53/640476253.db2.gz FHBKPSIKFKUTEU-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CCc1onc(C)c1CN1CCO[C@H](C)CC1 ZINC000932334655 640477382 /nfs/dbraw/zinc/47/73/82/640477382.db2.gz CENVOGBHQQNPKX-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN C[C@@H]1CCN(CC2(Br)CC2)CCO1 ZINC000932334983 640478222 /nfs/dbraw/zinc/47/82/22/640478222.db2.gz IVKCWZLUDBTVTN-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN Cc1nsc(C)c1CN1CCO[C@@H](C)CC1 ZINC000932343003 640483164 /nfs/dbraw/zinc/48/31/64/640483164.db2.gz PKITXSHTKWHZRV-VIFPVBQESA-N 0 1 240.372 2.371 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)cc2)CCO1 ZINC000932346429 640488697 /nfs/dbraw/zinc/48/86/97/640488697.db2.gz HZFRRTDRJBKTOE-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN CCc1noc(C)c1CN1CCO[C@H](C)CC1 ZINC000932346978 640489497 /nfs/dbraw/zinc/48/94/97/640489497.db2.gz SXXUYSZIOGYMMK-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CCCc1nc(CN[C@@H]2COC[C@@H]2C)cs1 ZINC000932503479 640561221 /nfs/dbraw/zinc/56/12/21/640561221.db2.gz YKSVEUWOCKKDML-GXSJLCMTSA-N 0 1 240.372 2.220 20 0 BEADMN CC(C)N1CCn2c(cnc2C(F)(F)F)C1 ZINC000932588312 640580303 /nfs/dbraw/zinc/58/03/03/640580303.db2.gz LLTCSSVHPBADAE-UHFFFAOYSA-N 0 1 233.237 2.126 20 0 BEADMN Cn1nccc1CN1CCC(F)(C2CC2)CC1 ZINC000932629199 640591620 /nfs/dbraw/zinc/59/16/20/640591620.db2.gz RPBMYZSOSSZZRF-UHFFFAOYSA-N 0 1 237.322 2.134 20 0 BEADMN CCCCC1(C(=O)NCc2cc(C)[nH]n2)CC1 ZINC000932787693 640610653 /nfs/dbraw/zinc/61/06/53/640610653.db2.gz VIQDSYJMPSESSL-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN C[C@H](NC[C@H](O)c1ccco1)c1ccoc1 ZINC000166552974 640648496 /nfs/dbraw/zinc/64/84/96/640648496.db2.gz MERRXXLBGSDLDP-ONGXEEELSA-N 0 1 221.256 2.257 20 0 BEADMN CCO[C@H]1CCN(Cc2c(CC)noc2C)C1 ZINC000932972121 640657944 /nfs/dbraw/zinc/65/79/44/640657944.db2.gz PDWBCOBFLKHRDI-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCOC[C@H]2CC2CC2)O1 ZINC000933206982 640679741 /nfs/dbraw/zinc/67/97/41/640679741.db2.gz AXOACMYNXACPIL-BNOWGMLFSA-N 0 1 239.359 2.055 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ncccc2CC)no1 ZINC000157791917 640739400 /nfs/dbraw/zinc/73/94/00/640739400.db2.gz VNWJENSLHHLYIG-VIFPVBQESA-N 0 1 246.314 2.365 20 0 BEADMN C[C@]12CN(Cc3cnns3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703202 640747311 /nfs/dbraw/zinc/74/73/11/640747311.db2.gz FXHGIFQBBILRSC-JULQROHOSA-N 0 1 247.367 2.182 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C(C)C)C1 ZINC000158015958 640786815 /nfs/dbraw/zinc/78/68/15/640786815.db2.gz VNODEHVQKMWPEM-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN CO[C@@H](C)CN(Cc1ccoc1)C1CC1 ZINC000934001474 640800963 /nfs/dbraw/zinc/80/09/63/640800963.db2.gz DKZCAUTUDPSIHE-JTQLQIEISA-N 0 1 209.289 2.279 20 0 BEADMN CC[C@@H](C)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000226870371 640802407 /nfs/dbraw/zinc/80/24/07/640802407.db2.gz XFHRJKWXNKPSJH-PWSUYJOCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cn[nH]c1CN(Cc1ccoc1)C1CC1 ZINC000934003820 640804542 /nfs/dbraw/zinc/80/45/42/640804542.db2.gz LGPKVTRNYXPYOY-UHFFFAOYSA-N 0 1 231.299 2.476 20 0 BEADMN CC[C@@H]1COCCN1CC[C@@H](O)c1ccccc1 ZINC000227062421 640814044 /nfs/dbraw/zinc/81/40/44/640814044.db2.gz GSHXPHPGGDFCSR-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN Cc1cscc1CNC(=O)C(F)(F)F ZINC000087311508 640870856 /nfs/dbraw/zinc/87/08/56/640870856.db2.gz PBNILHMVWQIGTJ-UHFFFAOYSA-N 0 1 223.219 2.235 20 0 BEADMN CSCCNCc1nc(C)c(C)s1 ZINC000087376024 640876899 /nfs/dbraw/zinc/87/68/99/640876899.db2.gz FXLYHTFBEQUSMM-UHFFFAOYSA-N 0 1 216.375 2.213 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2cscn2)no1 ZINC000087596493 640938193 /nfs/dbraw/zinc/93/81/93/640938193.db2.gz YBCBLBBUIUGKEI-ZETCQYMHSA-N 0 1 238.316 2.254 20 0 BEADMN C(NCC1CC1)c1nc([C@H]2CCCS2)no1 ZINC000087699652 640977067 /nfs/dbraw/zinc/97/70/67/640977067.db2.gz BYBNZQRPRROBET-SECBINFHSA-N 0 1 239.344 2.137 20 0 BEADMN CC[C@H](C)CN(C)Cn1cc(Cl)cn1 ZINC000171890546 641021077 /nfs/dbraw/zinc/02/10/77/641021077.db2.gz TVNSOXDJAVJGDM-VIFPVBQESA-N 0 1 215.728 2.472 20 0 BEADMN CCC[C@](C)(NC[Si](C)(C)C)C(=O)OC ZINC000171936120 641022961 /nfs/dbraw/zinc/02/29/61/641022961.db2.gz MVJPYOUWBOTLCA-NSHDSACASA-N 0 1 231.412 2.185 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H](C(C)C)CC1=O ZINC000172066317 641033784 /nfs/dbraw/zinc/03/37/84/641033784.db2.gz FFVKCWOYUZOMKR-ZDUSSCGKSA-N 0 1 240.391 2.426 20 0 BEADMN CCCN[C@H](C)c1nc([C@H]2CCCOC2)no1 ZINC000087815808 641054415 /nfs/dbraw/zinc/05/44/15/641054415.db2.gz JPSHNCZEJTVBSQ-ZJUUUORDSA-N 0 1 239.319 2.024 20 0 BEADMN CO[C@H](C)CC(=O)Nc1cccc(Cl)c1O ZINC000172357130 641056867 /nfs/dbraw/zinc/05/68/67/641056867.db2.gz MAXWIUZLLYDTKC-SSDOTTSWSA-N 0 1 243.690 2.409 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)CCC(F)(F)F ZINC000934111279 641073076 /nfs/dbraw/zinc/07/30/76/641073076.db2.gz HNMHIALUPISWDA-JGVFFNPUSA-N 0 1 211.227 2.048 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1ccccc1F ZINC000934128245 641083076 /nfs/dbraw/zinc/08/30/76/641083076.db2.gz XEYVLBXALSEQDK-STQMWFEESA-N 0 1 223.291 2.435 20 0 BEADMN CCCCC1(NCc2cn(CC)nn2)CC1 ZINC000934202773 641101294 /nfs/dbraw/zinc/10/12/94/641101294.db2.gz DDLHRTXAJXOMBI-UHFFFAOYSA-N 0 1 222.336 2.110 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2cccnc2)no1 ZINC000934226544 641106176 /nfs/dbraw/zinc/10/61/76/641106176.db2.gz JICZCAIADUBYAY-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN C[C@H](Cc1cccnc1)N[C@H](C)c1csnn1 ZINC000934229268 641108559 /nfs/dbraw/zinc/10/85/59/641108559.db2.gz IERKXMMKYUUWEA-NXEZZACHSA-N 0 1 248.355 2.215 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)[C@@H](C)CC ZINC000172775246 641111680 /nfs/dbraw/zinc/11/16/80/641111680.db2.gz CGGQOYBOTWABHD-QWRGUYRKSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1nnsc1CN1CCCSC[C@H]1C ZINC000934298022 641120922 /nfs/dbraw/zinc/12/09/22/641120922.db2.gz RONWOUJCUIICRL-MRVPVSSYSA-N 0 1 243.401 2.174 20 0 BEADMN Cc1conc1CN[C@@H]1CCOC12CCCC2 ZINC000934380156 641136003 /nfs/dbraw/zinc/13/60/03/641136003.db2.gz CYGKOIKIAZSBDE-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN C[C@H]1CN(Cc2cnc(Cl)cn2)C[C@H]1C ZINC000231282953 641153572 /nfs/dbraw/zinc/15/35/72/641153572.db2.gz SOKJRFCWXMXUMG-DTORHVGOSA-N 0 1 225.723 2.218 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@@]1(C)C1CC1 ZINC000934475464 641167657 /nfs/dbraw/zinc/16/76/57/641167657.db2.gz NJLGORSJLGSCLE-ZDWRTJATSA-N 0 1 239.359 2.080 20 0 BEADMN CC[C@@]1(C)CCCN(CN2CCOC2=S)C1 ZINC000173424767 641174892 /nfs/dbraw/zinc/17/48/92/641174892.db2.gz LDKMXWHMMJPCSU-LBPRGKRZSA-N 0 1 242.388 2.073 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000173523929 641181898 /nfs/dbraw/zinc/18/18/98/641181898.db2.gz ZNTZLPBUMBNZRP-NWDGAFQWSA-N 0 1 224.348 2.077 20 0 BEADMN CCCCCCNC(=O)CN(C)C1CCC1 ZINC000173922295 641210577 /nfs/dbraw/zinc/21/05/77/641210577.db2.gz GMMNKBOROGKWAI-UHFFFAOYSA-N 0 1 226.364 2.167 20 0 BEADMN Cn1nccc1CN[C@H](c1ccncc1)C1CC1 ZINC000934700109 641251149 /nfs/dbraw/zinc/25/11/49/641251149.db2.gz ZSADHOLLFSFHDB-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN CC1(C)CN(Cc2cnon2)[C@@H]2CCC[C@@H]21 ZINC000934758666 641258696 /nfs/dbraw/zinc/25/86/96/641258696.db2.gz MNXGNOPPZDSRJT-WDEREUQCSA-N 0 1 221.304 2.080 20 0 BEADMN Cc1oc(C[NH2+]Cc2ccco2)cc1C(=O)[O-] ZINC000232440007 641270984 /nfs/dbraw/zinc/27/09/84/641270984.db2.gz KDVNWSJPROWQHP-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN COC1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000232449645 641273260 /nfs/dbraw/zinc/27/32/60/641273260.db2.gz AGWHTHNATPLWHF-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000934925133 641303320 /nfs/dbraw/zinc/30/33/20/641303320.db2.gz PJWGRTPCAGJZTA-QMTHXVAHSA-N 0 1 247.342 2.122 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000934925134 641303721 /nfs/dbraw/zinc/30/37/21/641303721.db2.gz PJWGRTPCAGJZTA-YGRLFVJLSA-N 0 1 247.342 2.122 20 0 BEADMN CS[C@@H](C)CNC(=O)c1cccc(F)c1O ZINC000935041388 641322777 /nfs/dbraw/zinc/32/27/77/641322777.db2.gz QBNPITZSUWAHQR-ZETCQYMHSA-N 0 1 243.303 2.013 20 0 BEADMN CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000088369720 641345791 /nfs/dbraw/zinc/34/57/91/641345791.db2.gz ROQMSKQLLPMCKD-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@H](C2CC2)C1 ZINC000935154302 641351225 /nfs/dbraw/zinc/35/12/25/641351225.db2.gz FMXRGNLOOKHQRU-JTQLQIEISA-N 0 1 249.285 2.403 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@@H](C2CC2)C1 ZINC000935154304 641351893 /nfs/dbraw/zinc/35/18/93/641351893.db2.gz FMXRGNLOOKHQRU-SNVBAGLBSA-N 0 1 249.285 2.403 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H]1CC1(C)C ZINC000925393756 641423874 /nfs/dbraw/zinc/42/38/74/641423874.db2.gz RJXVRFSVTBPGKV-VXNVDRBHSA-N 0 1 209.293 2.075 20 0 BEADMN CC(C)c1ccsc1C(=O)Nc1c[nH]nn1 ZINC000935596048 641439429 /nfs/dbraw/zinc/43/94/29/641439429.db2.gz BQXODBRGLGVCPW-UHFFFAOYSA-N 0 1 236.300 2.242 20 0 BEADMN C[C@H]1CC[C@@](C)(C(=O)Nc2c[nH]nn2)C1(C)C ZINC000935595682 641439506 /nfs/dbraw/zinc/43/95/06/641439506.db2.gz PCZHLPCGDLXNHU-UFBFGSQYSA-N 0 1 236.319 2.206 20 0 BEADMN CCC1(C(=O)Nc2c[nH]nn2)CCCCC1 ZINC000935596679 641441736 /nfs/dbraw/zinc/44/17/36/641441736.db2.gz QBLIWPVZOWTVQS-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN C/C=C\C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000211363860 641478254 /nfs/dbraw/zinc/47/82/54/641478254.db2.gz KQBORUPJQKSYIG-DWMUBGRBSA-N 0 1 248.326 2.109 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000935961630 641508961 /nfs/dbraw/zinc/50/89/61/641508961.db2.gz GECCHNOPRJVDFJ-MWLCHTKSSA-N 0 1 248.330 2.037 20 0 BEADMN CC(C)C1(O)CN(C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714384703 711505461 /nfs/dbraw/zinc/50/54/61/711505461.db2.gz IWWKKYPQGCWFJM-LBPRGKRZSA-N 0 1 241.375 2.037 20 0 BEADMN O=C(NCCCCF)c1cc(F)cc(F)c1O ZINC000936068163 641529443 /nfs/dbraw/zinc/52/94/43/641529443.db2.gz IZJFFWWXXGXYSG-UHFFFAOYSA-N 0 1 247.216 2.150 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1cc(C(=O)[O-])no1)C(C)(C)C ZINC000042771172 641558545 /nfs/dbraw/zinc/55/85/45/641558545.db2.gz DURMNCJYQIQKIF-MRVPVSSYSA-N 0 1 240.303 2.239 20 0 BEADMN C[C@@H](CCO)NCc1coc(-c2ccccc2)n1 ZINC000156275385 641604098 /nfs/dbraw/zinc/60/40/98/641604098.db2.gz OIELBAVULCTAND-NSHDSACASA-N 0 1 246.310 2.202 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C/C=C/Cl)C1 ZINC000232783513 641675036 /nfs/dbraw/zinc/67/50/36/641675036.db2.gz BBIOYWFMAVZQDQ-TZNOJPMFSA-N 0 1 231.723 2.172 20 0 BEADMN CC[C@@H](CO)N1CCO[C@](C)(c2ccccc2)C1 ZINC000929834960 641730777 /nfs/dbraw/zinc/73/07/77/641730777.db2.gz QRSWHKYBQNMJOT-GJZGRUSLSA-N 0 1 249.354 2.005 20 0 BEADMN C/C=C/C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000914530049 641732174 /nfs/dbraw/zinc/73/21/74/641732174.db2.gz HIQZSONFWWZTRD-SGUJLRQBSA-N 0 1 238.356 2.043 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076013100 641787028 /nfs/dbraw/zinc/78/70/28/641787028.db2.gz RZRZBMYBHHDABZ-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C/C(=C/C(=O)N1C[C@H](C)N[C@@H](C)C1)C(C)(C)C ZINC000153425957 641787745 /nfs/dbraw/zinc/78/77/45/641787745.db2.gz OXEMJLJZNHUATM-XHXQXFLYSA-N 0 1 238.375 2.188 20 0 BEADMN CCCC[C@H](C)N[C@@H](C)c1nnnn1C1CC1 ZINC000189121296 641788764 /nfs/dbraw/zinc/78/87/64/641788764.db2.gz PSTGCZRZNIIHPG-UWVGGRQHSA-N 0 1 237.351 2.237 20 0 BEADMN CC(C)[C@@H](C)N(C)CN1CCSC1=O ZINC000915209686 641808883 /nfs/dbraw/zinc/80/88/83/641808883.db2.gz RLXMSSKEBLDZOI-SECBINFHSA-N 0 1 216.350 2.089 20 0 BEADMN CCC1CCC(NC(=O)CN2CCCC2)CC1 ZINC000915216398 641808924 /nfs/dbraw/zinc/80/89/24/641808924.db2.gz IHCBWDHMWKOOEH-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN O=C1CCCN1CN1CCC2(CCCC2)CC1 ZINC000153575362 641819282 /nfs/dbraw/zinc/81/92/82/641819282.db2.gz QYWZCULUQCYIAA-UHFFFAOYSA-N 0 1 236.359 2.223 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1ccccc1C ZINC000915476377 641827497 /nfs/dbraw/zinc/82/74/97/641827497.db2.gz CTNOBDIRGLDBOI-NSHDSACASA-N 0 1 234.324 2.103 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)Cc2ccccc21 ZINC000915826380 641863208 /nfs/dbraw/zinc/86/32/08/641863208.db2.gz WTFFWOZHFFKPPR-SNVBAGLBSA-N 0 1 241.294 2.169 20 0 BEADMN CCc1ccccc1CNCc1c[nH]cn1 ZINC000077901813 641887914 /nfs/dbraw/zinc/88/79/14/641887914.db2.gz VPIIEGGWTQFXLD-UHFFFAOYSA-N 0 1 215.300 2.262 20 0 BEADMN CC(C)NC(=O)CN1Cc2ccccc2[C@H](C)C1 ZINC000916152201 641913059 /nfs/dbraw/zinc/91/30/59/641913059.db2.gz PLSJPCZHLYZWMS-GFCCVEGCSA-N 0 1 246.354 2.130 20 0 BEADMN CC/C=C/CCN[C@H](C)c1nnnn1C1CC1 ZINC000191505753 641926392 /nfs/dbraw/zinc/92/63/92/641926392.db2.gz UFFJVTRGWKNFSJ-ORAHPGNNSA-N 0 1 235.335 2.015 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@H](C)C1(C)CC1 ZINC000246054854 641935585 /nfs/dbraw/zinc/93/55/85/641935585.db2.gz AFGZWFKUDMMVAB-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCC1CCCCC1 ZINC000916801339 641978994 /nfs/dbraw/zinc/97/89/94/641978994.db2.gz PRWSOEZDAXBISS-SNVBAGLBSA-N 0 1 226.345 2.174 20 0 BEADMN CC1CCC(c2noc(Cc3nnc[nH]3)n2)CC1 ZINC000923862357 641987606 /nfs/dbraw/zinc/98/76/06/641987606.db2.gz UDVUJLNYCJIAPR-UHFFFAOYSA-N 0 1 247.302 2.072 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1cc(C)cc(C)c1 ZINC000917202127 642027972 /nfs/dbraw/zinc/02/79/72/642027972.db2.gz ZJDBUNXWTQFCHA-LBPRGKRZSA-N 0 1 248.351 2.411 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1ccc(C)c(C)c1 ZINC000917209397 642028674 /nfs/dbraw/zinc/02/86/74/642028674.db2.gz FPCZFTUUJIFKLQ-GFCCVEGCSA-N 0 1 248.351 2.411 20 0 BEADMN CCc1c[nH]c(SCc2[nH]ncc2C)n1 ZINC000917221565 642032077 /nfs/dbraw/zinc/03/20/77/642032077.db2.gz XEPJZWNCEQMOLC-UHFFFAOYSA-N 0 1 222.317 2.296 20 0 BEADMN CCC[C@H](CC)Sc1c(C)[nH][nH]c1=O ZINC000917611247 642097163 /nfs/dbraw/zinc/09/71/63/642097163.db2.gz IKQIHNGWFUNNJJ-IUCAKERBSA-N 0 1 214.334 2.173 20 0 BEADMN Cc1ccc(Sc2c(C)[nH][nH]c2=O)s1 ZINC000917828624 642131062 /nfs/dbraw/zinc/13/10/62/642131062.db2.gz GIQXSCWNPWHHHB-QMMMGPOBSA-N 0 1 226.326 2.023 20 0 BEADMN COC(=O)CC1CCN(C/C=C\Cl)CC1 ZINC000918779095 642264658 /nfs/dbraw/zinc/26/46/58/642264658.db2.gz ZNDSGIMVKBUNOG-DJWKRKHSSA-N 0 1 231.723 2.014 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCOC[C@H](C)C1 ZINC000930084701 642357512 /nfs/dbraw/zinc/35/75/12/642357512.db2.gz CDFZDSLACDZGTB-MNOVXSKESA-N 0 1 238.306 2.250 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCOC[C@H](C)C1 ZINC000930084700 642359096 /nfs/dbraw/zinc/35/90/96/642359096.db2.gz CDFZDSLACDZGTB-GHMZBOCLSA-N 0 1 238.306 2.250 20 0 BEADMN CC(C)OC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000919598351 642365317 /nfs/dbraw/zinc/36/53/17/642365317.db2.gz WHQYXUVSHFRFEK-LLVKDONJSA-N 0 1 242.363 2.194 20 0 BEADMN CC[N@@H+](CC1(C)CCC1)C(C)(C)C(=O)OC ZINC000933193072 642382968 /nfs/dbraw/zinc/38/29/68/642382968.db2.gz WUYDFQAWRAXEBR-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN c1cncc(CCN2CCOC[C@H]2CC2CC2)c1 ZINC000933216488 642393992 /nfs/dbraw/zinc/39/39/92/642393992.db2.gz XNKIRBCPFWOZJF-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CC(C)COCCN1CCOC[C@H]1CC1CC1 ZINC000933216375 642394913 /nfs/dbraw/zinc/39/49/13/642394913.db2.gz WGBDMQMSACZLLL-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN CC(C)C[C@@H]1C[N@@H+](C)CCN1Cc1ccccn1 ZINC000933250979 642417775 /nfs/dbraw/zinc/41/77/75/642417775.db2.gz ORBMZZLJHFMQMZ-OAHLLOKOSA-N 0 1 247.386 2.244 20 0 BEADMN CCn1cnc2c1CC[N@H+](C1CCCC1)C2 ZINC000933256360 642423975 /nfs/dbraw/zinc/42/39/75/642423975.db2.gz BEKFDFRFNDQGOU-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CCn1cnc2c1CCN(C1CCCC1)C2 ZINC000933256360 642423978 /nfs/dbraw/zinc/42/39/78/642423978.db2.gz BEKFDFRFNDQGOU-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN CCCCCC(C)(C)C(=O)N1CCN[C@@H](C)C1 ZINC000155186583 642437716 /nfs/dbraw/zinc/43/77/16/642437716.db2.gz VEHOWICXVMKVAV-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)C[C@H](O)CN[C@@H](C)c1nccs1 ZINC000093403393 642486688 /nfs/dbraw/zinc/48/66/88/642486688.db2.gz NAMUOKYLVUYXTI-UWVGGRQHSA-N 0 1 228.361 2.201 20 0 BEADMN CCc1ccc(CNC[C@H](O)c2ccco2)o1 ZINC000305063627 642635576 /nfs/dbraw/zinc/63/55/76/642635576.db2.gz HGRHJQKSWSWINC-LBPRGKRZSA-N 0 1 235.283 2.258 20 0 BEADMN CC[N@@H+](Cc1cccc(C(=O)[O-])n1)C(C)C ZINC000233490313 642674915 /nfs/dbraw/zinc/67/49/15/642674915.db2.gz FHTKJOFEEPROBJ-UHFFFAOYSA-N 0 1 222.288 2.010 20 0 BEADMN Cc1nc(-c2noc([C@H]3C[C@H](C)CCN3)n2)co1 ZINC000305980124 642717145 /nfs/dbraw/zinc/71/71/45/642717145.db2.gz AFAQOQSLGFWAQU-VXNVDRBHSA-N 0 1 248.286 2.094 20 0 BEADMN Cc1nc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)co1 ZINC000305980120 642718060 /nfs/dbraw/zinc/71/80/60/642718060.db2.gz AFAQOQSLGFWAQU-CBAPKCEASA-N 0 1 248.286 2.094 20 0 BEADMN Cc1cc(OCc2cc3n(n2)CCC3)cc(C)n1 ZINC000650316422 642735669 /nfs/dbraw/zinc/73/56/69/642735669.db2.gz BANNAAAYAGTATA-UHFFFAOYSA-N 0 1 243.310 2.420 20 0 BEADMN O=[N+]([O-])c1ccc(CN=Nc2ccccn2)cc1 ZINC000013138567 642834732 /nfs/dbraw/zinc/83/47/32/642834732.db2.gz KQNUITZVZGJQLS-UHFFFAOYSA-N 0 1 242.238 2.436 20 0 BEADMN CCCCC[C@H](CC)C(=O)C(C#N)C(=O)NC ZINC000181041900 642835167 /nfs/dbraw/zinc/83/51/67/642835167.db2.gz SVAANOUXLUUHDN-WDEREUQCSA-N 0 1 238.331 2.048 20 0 BEADMN CC(C)COC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000181472531 642875048 /nfs/dbraw/zinc/87/50/48/642875048.db2.gz HTWCDEZYJGSGHA-CHWSQXEVSA-N 0 1 239.359 2.308 20 0 BEADMN CCCCC[C@@H](C)NCc1nonc1C ZINC000069794971 642906398 /nfs/dbraw/zinc/90/63/98/642906398.db2.gz KLALTHKJISPBJJ-SECBINFHSA-N 0 1 211.309 2.436 20 0 BEADMN Cc1nonc1CN[C@H](C)CCc1ccccc1 ZINC000070261786 643009144 /nfs/dbraw/zinc/00/91/44/643009144.db2.gz FAXAGRLVCFHAEP-LLVKDONJSA-N 0 1 245.326 2.489 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)NOC)c1ccccc1 ZINC000070275337 643010363 /nfs/dbraw/zinc/01/03/63/643010363.db2.gz HTJICSTUXYQPMV-CMPLNLGQSA-N 0 1 221.300 2.494 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000070410253 643023103 /nfs/dbraw/zinc/02/31/03/643023103.db2.gz LEMWMUIDZLMJIW-VIFPVBQESA-N 0 1 238.287 2.137 20 0 BEADMN CCCCCCNC(=O)c1cnccc1N(C)C ZINC000183493739 643137541 /nfs/dbraw/zinc/13/75/41/643137541.db2.gz MHJKCJSOARRLPH-UHFFFAOYSA-N 0 1 249.358 2.458 20 0 BEADMN Cc1ncsc1CN1CCO[C@H](C)CC1 ZINC000932342063 643149653 /nfs/dbraw/zinc/14/96/53/643149653.db2.gz MFNCMKZKRFFMEI-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ccc(-n2cc(CNC(C)C)nn2)cc1F ZINC000090299457 643154731 /nfs/dbraw/zinc/15/47/31/643154731.db2.gz BFNBKUZCGRHGLL-UHFFFAOYSA-N 0 1 248.305 2.213 20 0 BEADMN c1cnc([C@@H](NCC[C@@H]2CCCO2)C2CC2)nc1 ZINC000932351987 643169559 /nfs/dbraw/zinc/16/95/59/643169559.db2.gz CCNWKAIBTWEJBP-STQMWFEESA-N 0 1 247.342 2.086 20 0 BEADMN Cl/C=C\CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000254972861 643194103 /nfs/dbraw/zinc/19/41/03/643194103.db2.gz QYFWIZBSDKOTDU-XJIUSYNZSA-N 0 1 225.723 2.342 20 0 BEADMN C/C(=C\C[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000214740271 643214313 /nfs/dbraw/zinc/21/43/13/643214313.db2.gz NEYFCZRAYCGXAE-CSKARUKUSA-N 0 1 211.305 2.282 20 0 BEADMN ClC1(Cl)C[C@H]1CSc1cn[nH]n1 ZINC000072262578 643230761 /nfs/dbraw/zinc/23/07/61/643230761.db2.gz RLZUOULVSDPDQA-BYPYZUCNSA-N 0 1 224.116 2.091 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cnc[nH]2)o1 ZINC000112341593 643332033 /nfs/dbraw/zinc/33/20/33/643332033.db2.gz IPFZWJANYPHAGT-SKDRFNHKSA-N 0 1 231.299 2.416 20 0 BEADMN CCCCCCN1CCN(C(=O)C(C)C)CC1 ZINC000072970276 643342729 /nfs/dbraw/zinc/34/27/29/643342729.db2.gz JECGSHMIYCKNLI-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1CC(=O)OCC(C)C ZINC000185633227 643346054 /nfs/dbraw/zinc/34/60/54/643346054.db2.gz ONNOCWMGELJFHA-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CC1(C[NH2+]Cc2ccc([O-])c(Cl)c2)COC1 ZINC000082699491 643369059 /nfs/dbraw/zinc/36/90/59/643369059.db2.gz VHRLPPORTZHVMR-UHFFFAOYSA-N 0 1 241.718 2.172 20 0 BEADMN C[C@H]1C[N@@H+](CCC(=O)[O-])Cc2ccccc21 ZINC000082791626 643382856 /nfs/dbraw/zinc/38/28/56/643382856.db2.gz CQVVMFABFMQCSX-JTQLQIEISA-N 0 1 219.284 2.080 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082846226 643386128 /nfs/dbraw/zinc/38/61/28/643386128.db2.gz DGNODTMBFXOQOV-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCCC(C)C)cc1 ZINC000083361196 643441031 /nfs/dbraw/zinc/44/10/31/643441031.db2.gz JDQZLIYZGLOCRZ-ZDUSSCGKSA-N 0 1 234.343 2.157 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccoc2)no1 ZINC000069947379 643452210 /nfs/dbraw/zinc/45/22/10/643452210.db2.gz JXWJYMRZMGUIIM-ZETCQYMHSA-N 0 1 207.233 2.000 20 0 BEADMN Cc1csc([C@H](C)NCc2cnc[nH]2)n1 ZINC000070621355 643464342 /nfs/dbraw/zinc/46/43/42/643464342.db2.gz SMYAYYAJFJNYAL-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1nonc1CN1CCCCCCC1 ZINC000733897466 643477604 /nfs/dbraw/zinc/47/76/04/643477604.db2.gz RHWNPTLYJXCDSF-UHFFFAOYSA-N 0 1 209.293 2.144 20 0 BEADMN CC[C@H](C)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080992257 643494002 /nfs/dbraw/zinc/49/40/02/643494002.db2.gz KZFONDMPNHRFAD-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCc1nn(C)cc1CNc1nccn1C1CC1 ZINC000234152715 643532313 /nfs/dbraw/zinc/53/23/13/643532313.db2.gz HMVDANXVARWDRY-UHFFFAOYSA-N 0 1 245.330 2.126 20 0 BEADMN Cc1ccc2ncc(CN3C[C@@H](C)[C@H]3C)n2c1 ZINC000816648456 643556896 /nfs/dbraw/zinc/55/68/96/643556896.db2.gz KZFVPGCNZFABID-VXGBXAGGSA-N 0 1 229.327 2.483 20 0 BEADMN Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC000047239342 643579025 /nfs/dbraw/zinc/57/90/25/643579025.db2.gz YQTARMQDUWTIMG-GHMZBOCLSA-N 0 1 248.282 2.216 20 0 BEADMN Cc1nn(C)c(CN[C@H]2CC2(C)C)c1Cl ZINC000084270659 643655378 /nfs/dbraw/zinc/65/53/78/643655378.db2.gz GBHRCLSZRREFQU-VIFPVBQESA-N 0 1 227.739 2.270 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@@H+](C)CCC(=O)[O-])C1 ZINC000084347449 643657485 /nfs/dbraw/zinc/65/74/85/643657485.db2.gz MVHHIRRYJSHFAC-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1C[C@H]1NCc1csc(-c2ccn(C)n2)n1 ZINC000921686212 643740245 /nfs/dbraw/zinc/74/02/45/643740245.db2.gz PFHAWXJKGCVGAM-GZMMTYOYSA-N 0 1 248.355 2.042 20 0 BEADMN CCc1[nH]nc(Cl)c1CNCC(C)(C)OC ZINC000921791513 643788355 /nfs/dbraw/zinc/78/83/55/643788355.db2.gz UIILDWZNNHDYKC-UHFFFAOYSA-N 0 1 245.754 2.140 20 0 BEADMN Cn1ccc(CNCc2ccnn2C2CCC2)c1 ZINC000921811279 643800898 /nfs/dbraw/zinc/80/08/98/643800898.db2.gz MNQFRRUMLGYWRH-UHFFFAOYSA-N 0 1 244.342 2.236 20 0 BEADMN Cc1ccc(CNCc2cc[nH]c(=O)c2)nc1C ZINC000922177094 643892537 /nfs/dbraw/zinc/89/25/37/643892537.db2.gz DKFDDGAIPSUPCN-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cnn(C2CCC2)c1 ZINC000922288337 643954185 /nfs/dbraw/zinc/95/41/85/643954185.db2.gz PZAALAORGMBBGT-KGLIPLIRSA-N 0 1 249.358 2.265 20 0 BEADMN CCn1nc(C)c(CNC[C@]23C[C@H]2CCCC3)n1 ZINC000922426580 643991571 /nfs/dbraw/zinc/99/15/71/643991571.db2.gz QKHOHMDYUWZDJS-OCCSQVGLSA-N 0 1 248.374 2.276 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CCO[C@H]2C2CC2)n1 ZINC000922514499 644011012 /nfs/dbraw/zinc/01/10/12/644011012.db2.gz ASIJKJVMGJORBT-RISCZKNCSA-N 0 1 249.358 2.190 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1coc(C2CC2)n1 ZINC000922580260 644032501 /nfs/dbraw/zinc/03/25/01/644032501.db2.gz BGJAUGGLXABZBM-SECBINFHSA-N 0 1 238.331 2.455 20 0 BEADMN Cc1cc(CN[C@@H](c2ccccn2)C2CC2)[nH]n1 ZINC000922587322 644035884 /nfs/dbraw/zinc/03/58/84/644035884.db2.gz ZIGACNKJVZKQMB-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN Cc1n[nH]cc1CN[C@H](c1ccccn1)C1CC1 ZINC000922585829 644036516 /nfs/dbraw/zinc/03/65/16/644036516.db2.gz HCJQXPJEJZDGDK-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cnn(CCF)c1 ZINC000922644613 644048856 /nfs/dbraw/zinc/04/88/56/644048856.db2.gz JSINTFLPXVZHHC-ONEGZZNKSA-N 0 1 245.729 2.473 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cnc2n1CCC2 ZINC000922645637 644050530 /nfs/dbraw/zinc/05/05/30/644050530.db2.gz UAEVHMKMLWKQSZ-AATRIKPKSA-N 0 1 239.750 2.450 20 0 BEADMN Cc1cc(CNC(C)(C)/C=C/Cl)n(C)n1 ZINC000922646117 644050811 /nfs/dbraw/zinc/05/08/11/644050811.db2.gz ZBEDLIIZUKEFDS-AATRIKPKSA-N 0 1 227.739 2.349 20 0 BEADMN CCC[C@@H](O)CCNCc1nccn1C(C)C ZINC000922816554 644107749 /nfs/dbraw/zinc/10/77/49/644107749.db2.gz ITZJZFRILRAAOO-GFCCVEGCSA-N 0 1 239.363 2.105 20 0 BEADMN CCC[C@@H](O)CCNCc1ncc(Cl)s1 ZINC000922820186 644109889 /nfs/dbraw/zinc/10/98/89/644109889.db2.gz JRENKLBAPLQBSS-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@@H]1CCCN(Cn2cccnc2=S)C1 ZINC000192555152 644164787 /nfs/dbraw/zinc/16/47/87/644164787.db2.gz YGEGDQAXJZAIET-SNVBAGLBSA-N 0 1 223.345 2.302 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2C1 ZINC000086726806 644167258 /nfs/dbraw/zinc/16/72/58/644167258.db2.gz XXGRDYSQOBZQGM-ZIAGYGMSSA-N 0 1 245.322 2.093 20 0 BEADMN COc1ccccc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000079486926 644183847 /nfs/dbraw/zinc/18/38/47/644183847.db2.gz ABEPCLBPGMRUOP-AWEZNQCLSA-N 0 1 249.310 2.134 20 0 BEADMN c1cc(C[NH2+]CC2CCC=CCC2)[nH]n1 ZINC000922966711 644202574 /nfs/dbraw/zinc/20/25/74/644202574.db2.gz VBJCYWXRZZZNDR-UHFFFAOYSA-N 0 1 205.305 2.246 20 0 BEADMN CCc1onc(C)c1CNCc1cc[nH]c1 ZINC000922984169 644212097 /nfs/dbraw/zinc/21/20/97/644212097.db2.gz VKCJLBQKUOMUJT-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN C[C@]1(NCc2cnc[nH]2)CCOc2ccccc21 ZINC000923025362 644235545 /nfs/dbraw/zinc/23/55/45/644235545.db2.gz NZLKCHAUXWFQSK-AWEZNQCLSA-N 0 1 243.310 2.197 20 0 BEADMN Cc1nocc1CNC1([C@H]2CCCCO2)CC1 ZINC000923027778 644236431 /nfs/dbraw/zinc/23/64/31/644236431.db2.gz IUWAOFTUQZCFIJ-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN C[C@@]1(NCc2cnc[nH]2)CCOc2ccccc21 ZINC000923025363 644236596 /nfs/dbraw/zinc/23/65/96/644236596.db2.gz NZLKCHAUXWFQSK-CQSZACIVSA-N 0 1 243.310 2.197 20 0 BEADMN C[C@]1(NCc2cn[nH]c2)CCOc2ccccc21 ZINC000923027135 644237828 /nfs/dbraw/zinc/23/78/28/644237828.db2.gz ZPNCTNOUSUGVRL-AWEZNQCLSA-N 0 1 243.310 2.197 20 0 BEADMN C=CCCCCCN[C@H](C)c1nnnn1C1CC1 ZINC000193579991 644256314 /nfs/dbraw/zinc/25/63/14/644256314.db2.gz LRCHXXQDMRGIHI-LLVKDONJSA-N 0 1 249.362 2.405 20 0 BEADMN CCCCCC[C@@H](O)C[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000923253847 644300835 /nfs/dbraw/zinc/30/08/35/644300835.db2.gz OUTWKLGZTVAPLR-NWDGAFQWSA-N 0 1 245.363 2.113 20 0 BEADMN CC[NH+](CC)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000194356801 644313964 /nfs/dbraw/zinc/31/39/64/644313964.db2.gz JWMWNNOJRMRMKF-UHFFFAOYSA-N 0 1 247.294 2.340 20 0 BEADMN CN(Cn1c2ccccc2oc1=O)C1CCCC1 ZINC000194571179 644329270 /nfs/dbraw/zinc/32/92/70/644329270.db2.gz URBIBBNOEFKVLK-UHFFFAOYSA-N 0 1 246.310 2.426 20 0 BEADMN C/C(=C\C(=O)Nc1c(C)n[nH]c1C)C1CC1 ZINC000194765691 644344912 /nfs/dbraw/zinc/34/49/12/644344912.db2.gz XPVJRRACBZWANN-VOTSOKGWSA-N 0 1 219.288 2.321 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2(C3CC3)CCC2)n[nH]1 ZINC000923337753 644358168 /nfs/dbraw/zinc/35/81/68/644358168.db2.gz PWJBNJGBSVVVST-QMMMGPOBSA-N 0 1 249.314 2.298 20 0 BEADMN CCC(CC)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000083404279 644402642 /nfs/dbraw/zinc/40/26/42/644402642.db2.gz HKCJZRPMJFJKQW-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](CC[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000083403607 644404903 /nfs/dbraw/zinc/40/49/03/644404903.db2.gz CGNAYPQIBUNGME-LLVKDONJSA-N 0 1 221.300 2.197 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])s1 ZINC000083417452 644405281 /nfs/dbraw/zinc/40/52/81/644405281.db2.gz GWFXLWOSQQUGJG-GFCCVEGCSA-N 0 1 239.340 2.496 20 0 BEADMN CCCCCCn1cc(CNC2CC2)nn1 ZINC000085273351 644438742 /nfs/dbraw/zinc/43/87/42/644438742.db2.gz HJJRYRPJRXHVDU-UHFFFAOYSA-N 0 1 222.336 2.110 20 0 BEADMN O=C([O-])C[N@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000086334793 644461589 /nfs/dbraw/zinc/46/15/89/644461589.db2.gz QWJXRVHAJHFTET-UHFFFAOYSA-N 0 1 245.731 2.451 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000086334793 644461595 /nfs/dbraw/zinc/46/15/95/644461595.db2.gz QWJXRVHAJHFTET-UHFFFAOYSA-N 0 1 245.731 2.451 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1cccc(C2CC2)c1 ZINC000087013894 644465914 /nfs/dbraw/zinc/46/59/14/644465914.db2.gz DSRFBSJWQXLVNM-UHFFFAOYSA-N 0 1 219.284 2.080 20 0 BEADMN CCN1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923548011 644494462 /nfs/dbraw/zinc/49/44/62/644494462.db2.gz LPSQALIYAKLYAW-OLZOCXBDSA-N 0 1 246.354 2.307 20 0 BEADMN CCC(CC)CCOC(=O)CCc1nc[nH]n1 ZINC000089310422 644543152 /nfs/dbraw/zinc/54/31/52/644543152.db2.gz UKJAOVAQXQMGHD-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CC(C)NCc1cn(CCc2ccccc2)nn1 ZINC000090297026 644588090 /nfs/dbraw/zinc/58/80/90/644588090.db2.gz KDZMVDGGKRSVKT-UHFFFAOYSA-N 0 1 244.342 2.019 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)[C@H](C)CC ZINC000246532923 644593202 /nfs/dbraw/zinc/59/32/02/644593202.db2.gz CGGQOYBOTWABHD-MNOVXSKESA-N 0 1 215.337 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000247100699 644623131 /nfs/dbraw/zinc/62/31/31/644623131.db2.gz XWSRDNDPRBZFNH-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1noc([C@H]2CCCN(Cc3ccoc3)C2)n1 ZINC000091833183 644640137 /nfs/dbraw/zinc/64/01/37/644640137.db2.gz XOJRAIBKECYHCC-LBPRGKRZSA-N 0 1 247.298 2.351 20 0 BEADMN CCC[C@@]1(C)CCCN([C@H]2CCOC2=O)C1 ZINC000247476738 644642085 /nfs/dbraw/zinc/64/20/85/644642085.db2.gz JTWVTPPYCXFZRI-AAEUAGOBSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)C[C@H]1CCCN([C@H]2CCOC2=O)C1 ZINC000247660854 644646280 /nfs/dbraw/zinc/64/62/80/644646280.db2.gz PZHOIVGSFGEHJE-NEPJUHHUSA-N 0 1 225.332 2.060 20 0 BEADMN OCC[C@@H](NCc1nc2ccccc2o1)C1CC1 ZINC000763059761 644654510 /nfs/dbraw/zinc/65/45/10/644654510.db2.gz RODKHWRBHSYNRS-LLVKDONJSA-N 0 1 246.310 2.078 20 0 BEADMN CO[C@@H](CNCc1ccc(C)nc1)C(F)(F)F ZINC000764960182 644659687 /nfs/dbraw/zinc/65/96/87/644659687.db2.gz KUKJMNAHCDRPNK-JTQLQIEISA-N 0 1 248.248 2.057 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000248369806 644675222 /nfs/dbraw/zinc/67/52/22/644675222.db2.gz WSAAGWCQEUFQEE-TUAOUCFPSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CCCN(C)CC(C)(C)S(C)(=O)=O ZINC000779214359 644710924 /nfs/dbraw/zinc/71/09/24/644710924.db2.gz BRIMAHMYVKVFQV-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN CC(C)C[C@@H](O)CN[C@H](C)c1nccs1 ZINC000093403396 644688655 /nfs/dbraw/zinc/68/86/55/644688655.db2.gz NAMUOKYLVUYXTI-NXEZZACHSA-N 0 1 228.361 2.201 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C2CC2)cc1 ZINC000094525572 644718986 /nfs/dbraw/zinc/71/89/86/644718986.db2.gz VIXRXTSOMQYRTI-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000249887908 644743990 /nfs/dbraw/zinc/74/39/90/644743990.db2.gz RBYPVCABFLTLMR-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2C[C@@H]21 ZINC000792266855 644796380 /nfs/dbraw/zinc/79/63/80/644796380.db2.gz AWZPUIGFHCIMGU-MXWKQRLJSA-N 0 1 225.332 2.201 20 0 BEADMN C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@H]1C ZINC000251535759 644807357 /nfs/dbraw/zinc/80/73/57/644807357.db2.gz ALWSIFMJSGBDPN-WISYIIOYSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1C[C@H]1C(C)C)N(C)C ZINC000798855082 644825927 /nfs/dbraw/zinc/82/59/27/644825927.db2.gz MLOCUDRRCXSCNC-AVGNSLFASA-N 0 1 241.375 2.408 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H](C)C1CC1)N(C)C ZINC000798863551 644826118 /nfs/dbraw/zinc/82/61/18/644826118.db2.gz GXYODEHWUXVVFI-PWSUYJOCSA-N 0 1 227.348 2.162 20 0 BEADMN C[C@H](O)c1ncc(CN2C3CCC2CC3)s1 ZINC000809542434 644888683 /nfs/dbraw/zinc/88/86/83/644888683.db2.gz GQKBYQWHCULRRF-IDKOKCKLSA-N 0 1 238.356 2.323 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000252979208 644929263 /nfs/dbraw/zinc/92/92/63/644929263.db2.gz GSWWBRRLOOYXJR-GMTAPVOTSA-N 0 1 223.320 2.018 20 0 BEADMN CC(C)N(Cc1cnc(Cl)s1)C[C@@H](C)O ZINC000304790883 644932381 /nfs/dbraw/zinc/93/23/81/644932381.db2.gz RGEZXPVTYUPBMB-MRVPVSSYSA-N 0 1 248.779 2.388 20 0 BEADMN O=C(c1cccc(F)c1O)N(C1CC1)C1CC1 ZINC000827239048 645075712 /nfs/dbraw/zinc/07/57/12/645075712.db2.gz HHZPPLSZZLLTMO-UHFFFAOYSA-N 0 1 235.258 2.298 20 0 BEADMN CCCCCCC(=O)N1CCC2(CN(C)C2)C1 ZINC000834526006 645144468 /nfs/dbraw/zinc/14/44/68/645144468.db2.gz GUNXIHHJJBLTTA-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(CC)C[C@H]1CC ZINC000836946364 645184282 /nfs/dbraw/zinc/18/42/82/645184282.db2.gz KWRVJRZMFYARGN-KXXVWKPMSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](N[C@@H]1CCCc2oc(C)nc21)[C@H](C)O ZINC000926524449 645254986 /nfs/dbraw/zinc/25/49/86/645254986.db2.gz DLTDAWXKAPCOID-INTQDDNPSA-N 0 1 238.331 2.109 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@H](C)[C@H]2C)o1 ZINC000926537558 645262556 /nfs/dbraw/zinc/26/25/56/645262556.db2.gz MOENJNHXGFZIFA-CKYFFXLPSA-N 0 1 238.331 2.140 20 0 BEADMN CCCc1ncc(CN[C@@H]2COC[C@@H]2CC)o1 ZINC000926536748 645262660 /nfs/dbraw/zinc/26/26/60/645262660.db2.gz HXWKIQMPNYEWLR-CMPLNLGQSA-N 0 1 238.331 2.142 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@H]1C(C)C ZINC000926540223 645266099 /nfs/dbraw/zinc/26/60/99/645266099.db2.gz HWPGGOGNVPQVML-LSJOCFKGSA-N 0 1 223.320 2.321 20 0 BEADMN COCCC(C)(C)c1nc([C@H](N)C(C)C)no1 ZINC000843153313 645270385 /nfs/dbraw/zinc/27/03/85/645270385.db2.gz TULUUBKTDVTBGK-SECBINFHSA-N 0 1 241.335 2.040 20 0 BEADMN Cc1cc(-c2noc(CNCC3CC3)n2)c(C)o1 ZINC000843223756 645271293 /nfs/dbraw/zinc/27/12/93/645271293.db2.gz GUQKBYUPTAUIJB-UHFFFAOYSA-N 0 1 247.298 2.446 20 0 BEADMN CCNCc1nc(-c2ccc(C(C)C)nc2)no1 ZINC000843222426 645271579 /nfs/dbraw/zinc/27/15/79/645271579.db2.gz RCJQHRDBAYGJRZ-UHFFFAOYSA-N 0 1 246.314 2.365 20 0 BEADMN Cc1cc(C)c(CN[C@@H](C)c2ccnnc2)cn1 ZINC000926552409 645272764 /nfs/dbraw/zinc/27/27/64/645272764.db2.gz VFOIXNDOMVVXRG-LBPRGKRZSA-N 0 1 242.326 2.339 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccnnc1 ZINC000926588119 645301677 /nfs/dbraw/zinc/30/16/77/645301677.db2.gz VMBDIBAHZKSHON-YUSALJHKSA-N 0 1 223.295 2.408 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000926613237 645314614 /nfs/dbraw/zinc/31/46/14/645314614.db2.gz BYNORQDNSKZFEE-VZZFWQQMSA-N 0 1 235.302 2.248 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)Cc1ccccn1 ZINC000926670142 645348038 /nfs/dbraw/zinc/34/80/38/645348038.db2.gz WERGNTSLKBKAQA-ZJUUUORDSA-N 0 1 246.314 2.055 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H](C)c1ccccn1 ZINC000926674403 645349586 /nfs/dbraw/zinc/34/95/86/645349586.db2.gz DJJDNZLHHFASBQ-VHSXEESVSA-N 0 1 246.314 2.227 20 0 BEADMN Cc1nonc1[C@H](C)NCCCOC(C)(C)C ZINC000926698392 645365635 /nfs/dbraw/zinc/36/56/35/645365635.db2.gz CPJOXODYATWHAZ-VIFPVBQESA-N 0 1 241.335 2.234 20 0 BEADMN C[C@@H]1C[C@@H](NCCC(C)(C)F)c2ncnn21 ZINC000926703600 645369730 /nfs/dbraw/zinc/36/97/30/645369730.db2.gz UQFLZDPKCBNZCX-RKDXNWHRSA-N 0 1 226.299 2.012 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@]2(C)CC2(C)C)n1 ZINC000926722104 645383867 /nfs/dbraw/zinc/38/38/67/645383867.db2.gz RQXWTCYMWYBPLE-TVQRCGJNSA-N 0 1 236.363 2.446 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@]2(C)CC2(C)C)n1 ZINC000926722102 645385095 /nfs/dbraw/zinc/38/50/95/645385095.db2.gz RQXWTCYMWYBPLE-NOZJJQNGSA-N 0 1 236.363 2.446 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1c(C)noc1C ZINC000926727811 645389957 /nfs/dbraw/zinc/38/99/57/645389957.db2.gz OJYUWGCHIWPEMI-XXFPWJFMSA-N 0 1 224.304 2.119 20 0 BEADMN C[C@@H](NCC[C@H]1CC1(F)F)c1ncco1 ZINC000926739284 645398489 /nfs/dbraw/zinc/39/84/89/645398489.db2.gz ZDHBVNNQNYLMBF-SFYZADRCSA-N 0 1 216.231 2.371 20 0 BEADMN CON1CCN(CCCc2ccc(C)cc2)CC1 ZINC000846980873 645411623 /nfs/dbraw/zinc/41/16/23/645411623.db2.gz XHAAELAYZDDGQU-UHFFFAOYSA-N 0 1 248.370 2.107 20 0 BEADMN C/C=C/CN[C@H](C)c1cc(OC)ccn1 ZINC000926770945 645415825 /nfs/dbraw/zinc/41/58/25/645415825.db2.gz WVNJSZHTSSEZAL-ORAHPGNNSA-N 0 1 206.289 2.317 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@H]1CCSC1 ZINC000926779468 645429122 /nfs/dbraw/zinc/42/91/22/645429122.db2.gz ROLWKRBPGSPZPH-SCZZXKLOSA-N 0 1 241.360 2.172 20 0 BEADMN COc1cc([C@H](C)N[C@H]2C[C@H](SC)C2)on1 ZINC000926790923 645435420 /nfs/dbraw/zinc/43/54/20/645435420.db2.gz NTAWHVJAJFWXTE-CIUDSAMLSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@H](NCCC[C@@H]1C=CCC1)c1cnn(C)n1 ZINC000926822375 645443222 /nfs/dbraw/zinc/44/32/22/645443222.db2.gz CIMHGIGQHALTKA-NWDGAFQWSA-N 0 1 234.347 2.212 20 0 BEADMN FC(F)[C@@H]1CN([C@@H]2C[C@H]3C=C[C@@H]2CC3)CCO1 ZINC000926822174 645445079 /nfs/dbraw/zinc/44/50/79/645445079.db2.gz JFEGNFASEQNAJA-QCNOEVLYSA-N 0 1 243.297 2.307 20 0 BEADMN C[C@@H](NCc1ncc(Cl)s1)C(C)(C)CO ZINC000926830423 645446166 /nfs/dbraw/zinc/44/61/66/645446166.db2.gz UDFYBGWXYRUSLR-SSDOTTSWSA-N 0 1 248.779 2.293 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@]1(C)CC1(C)C ZINC000926840657 645452829 /nfs/dbraw/zinc/45/28/29/645452829.db2.gz FAEAWGIOWSHQIJ-QPUJVOFHSA-N 0 1 223.320 2.465 20 0 BEADMN C[C@@H](NC1CCC2(COC2)CC1)c1ncco1 ZINC000926861662 645460662 /nfs/dbraw/zinc/46/06/62/645460662.db2.gz OUEBHUZSTRCAFK-SNVBAGLBSA-N 0 1 236.315 2.284 20 0 BEADMN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1cn(C)cn1 ZINC000926870390 645465766 /nfs/dbraw/zinc/46/57/66/645465766.db2.gz AWJQGRDDCOGHBD-RYUDHWBXSA-N 0 1 249.358 2.030 20 0 BEADMN Cc1nonc1[C@@H](C)NC1(C2CC2)CCC1 ZINC000926874289 645467640 /nfs/dbraw/zinc/46/76/40/645467640.db2.gz NLJNSIMSJFGWQI-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1cnsn1 ZINC000852468972 645485531 /nfs/dbraw/zinc/48/55/31/645485531.db2.gz XBNLGFUSHNYOIB-TVQRCGJNSA-N 0 1 245.351 2.356 20 0 BEADMN C[C@@H](NCCC1CC=CC1)c1cc(CO)on1 ZINC000926951098 645499225 /nfs/dbraw/zinc/49/92/25/645499225.db2.gz WIOGVZXRUDGCKJ-SNVBAGLBSA-N 0 1 236.315 2.174 20 0 BEADMN C[C@@H](NC[C@]1(C)CCCCO1)c1ncc[nH]1 ZINC000927014669 645516002 /nfs/dbraw/zinc/51/60/02/645516002.db2.gz PRZXHDHKULSUMZ-PWSUYJOCSA-N 0 1 223.320 2.020 20 0 BEADMN Cc1cc(F)c(CN[C@H]2COC[C@@H]2C)c(F)c1 ZINC000927093006 645545688 /nfs/dbraw/zinc/54/56/88/645545688.db2.gz MNEGUSNTXGSADT-ZANVPECISA-N 0 1 241.281 2.398 20 0 BEADMN CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)C ZINC000857440341 645559614 /nfs/dbraw/zinc/55/96/14/645559614.db2.gz PRCTWWCQWOBOMX-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN CCOc1cc(F)cc(CNCCF)c1 ZINC000877496759 645798876 /nfs/dbraw/zinc/79/88/76/645798876.db2.gz WNMVURJSRKKMIR-UHFFFAOYSA-N 0 1 215.243 2.284 20 0 BEADMN CC(C)CC1(C(=O)NC[C@H]2CCN2C)CCC1 ZINC000928558975 645816208 /nfs/dbraw/zinc/81/62/08/645816208.db2.gz GTFODVZEWZQTQZ-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1conc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000878571736 645817435 /nfs/dbraw/zinc/81/74/35/645817435.db2.gz ACQKRZPJCPSPPU-OLZOCXBDSA-N 0 1 236.315 2.126 20 0 BEADMN CN1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC000928557905 645817855 /nfs/dbraw/zinc/81/78/55/645817855.db2.gz UPRFRGVGIOSEBZ-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@H](CC)CC(=O)NC[C@@H]1CCN1C ZINC000928564000 645822741 /nfs/dbraw/zinc/82/27/41/645822741.db2.gz SMKHVYCKSHUUQR-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccn(C)n1 ZINC000878705342 645823866 /nfs/dbraw/zinc/82/38/66/645823866.db2.gz UXGKECQNVJYGMX-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN CC[C@H](CC(=O)NC[C@H]1CCN1C)C(C)(C)C ZINC000928572039 645832521 /nfs/dbraw/zinc/83/25/21/645832521.db2.gz UYYCDHJKVCXTLV-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CC=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000214193190 645848346 /nfs/dbraw/zinc/84/83/46/645848346.db2.gz ZPIRDYOEJNUOHY-DJWKRKHSSA-N 0 1 201.229 2.078 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@H](C)c1nonc1C ZINC000925484341 645921915 /nfs/dbraw/zinc/92/19/15/645921915.db2.gz DZXUZWNTXORTEH-QNSHHTMESA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H](C)NC(=O)c1cccc(F)c1O ZINC000929104784 645944545 /nfs/dbraw/zinc/94/45/45/645944545.db2.gz WZEDQGWKKAVWOQ-SSDOTTSWSA-N 0 1 211.236 2.060 20 0 BEADMN CCc1onc(C)c1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000930447939 645946549 /nfs/dbraw/zinc/94/65/49/645946549.db2.gz LGIWMYXGYZWFBB-PHIMTYICSA-N 0 1 238.331 2.155 20 0 BEADMN C[C@@H]1CN(CCCC(C)(F)F)CCO1 ZINC000929110493 645947509 /nfs/dbraw/zinc/94/75/09/645947509.db2.gz ZFRHRZGNQJGOHY-SECBINFHSA-N 0 1 207.264 2.143 20 0 BEADMN C[C@H]1CCC[C@@H](c2noc(Cc3nnc[nH]3)n2)C1 ZINC000923862537 645961304 /nfs/dbraw/zinc/96/13/04/645961304.db2.gz XVOLXYTZDSVWGX-DTWKUNHWSA-N 0 1 247.302 2.072 20 0 BEADMN O=C(NC1CCCC1)c1cc(F)cc(F)c1O ZINC000929197710 645998692 /nfs/dbraw/zinc/99/86/92/645998692.db2.gz OFYCGNLHYYYGRX-UHFFFAOYSA-N 0 1 241.237 2.343 20 0 BEADMN Cc1cn(C)nc1CN1CCCC[C@H]1C ZINC000929219182 646017318 /nfs/dbraw/zinc/01/73/18/646017318.db2.gz WYOMBCJIHYQOGK-LLVKDONJSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1nnsc1[C@H](C)N1CCCCC1 ZINC000929237018 646029362 /nfs/dbraw/zinc/02/93/62/646029362.db2.gz HDUUZLUKJRIMPH-VIFPVBQESA-N 0 1 211.334 2.393 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000924413058 646031898 /nfs/dbraw/zinc/03/18/98/646031898.db2.gz PWVMPBZDLUZRBA-ZANVPECISA-N 0 1 249.314 2.328 20 0 BEADMN Cc1cn(C)nc1CN(CC(C)C)C1CC1 ZINC000929257800 646040187 /nfs/dbraw/zinc/04/01/87/646040187.db2.gz WHUOCYRBJPCYHL-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CCO1 ZINC000929258129 646040204 /nfs/dbraw/zinc/04/02/04/646040204.db2.gz UUZKCHILYIZGJF-YFKTTZPYSA-N 0 1 245.313 2.389 20 0 BEADMN CCCN(CCC)Cc1noc2c1COCC2 ZINC000929267060 646048371 /nfs/dbraw/zinc/04/83/71/646048371.db2.gz YNLMFGCHKDHCSV-UHFFFAOYSA-N 0 1 238.331 2.369 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NC[C@H]1CCCO1 ZINC000924542239 646060934 /nfs/dbraw/zinc/06/09/34/646060934.db2.gz HZEGVQIAINMDIX-GHMZBOCLSA-N 0 1 236.315 2.129 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCOC2CC2)on1 ZINC000929286228 646061894 /nfs/dbraw/zinc/06/18/94/646061894.db2.gz IXFYZKVVFBIMCJ-LBPRGKRZSA-N 0 1 236.315 2.299 20 0 BEADMN CC(=O)C1CCN(Cc2oc(C)nc2C)CC1 ZINC000723622543 711526668 /nfs/dbraw/zinc/52/66/68/711526668.db2.gz BJTSTSDHTAIVGY-UHFFFAOYSA-N 0 1 236.315 2.092 20 0 BEADMN CCC1CCN(Cc2nn(C)cc2C)CC1 ZINC000929299174 646071772 /nfs/dbraw/zinc/07/17/72/646071772.db2.gz ZNEZZCCYUSMJFE-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1ccsc1 ZINC000924605476 646075930 /nfs/dbraw/zinc/07/59/30/646075930.db2.gz GPBDNCQKPZVVDY-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000924608594 646076546 /nfs/dbraw/zinc/07/65/46/646076546.db2.gz GYIHUXDZPDAOQI-FOGDFJRCSA-N 0 1 246.314 2.098 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H](C)Cc1ccco1 ZINC000924609688 646077379 /nfs/dbraw/zinc/07/73/79/646077379.db2.gz MUZPJWCWBZDHLO-DTWKUNHWSA-N 0 1 235.287 2.253 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCCCO2)c(C)nn1 ZINC000929330749 646082883 /nfs/dbraw/zinc/08/28/83/646082883.db2.gz NWDLMGMEJXGKPD-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2nonc2C)o1 ZINC000924656077 646086528 /nfs/dbraw/zinc/08/65/28/646086528.db2.gz YORUUCJCOBLBNK-SECBINFHSA-N 0 1 235.287 2.173 20 0 BEADMN C[C@H](NCc1ccsc1)c1ccnnc1 ZINC000924665207 646088057 /nfs/dbraw/zinc/08/80/57/646088057.db2.gz JSBWBMMMFQAJDZ-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)OC(C)(C)C1 ZINC000929347213 646090563 /nfs/dbraw/zinc/09/05/63/646090563.db2.gz DQPMVIXXMXBMMF-BCMYLCSRSA-N 0 1 227.348 2.078 20 0 BEADMN C[C@H](c1ccco1)N(C)CCO[C@H]1CCOC1 ZINC000929369248 646101415 /nfs/dbraw/zinc/10/14/15/646101415.db2.gz GEWPYYOSDZBVGR-NEPJUHHUSA-N 0 1 239.315 2.078 20 0 BEADMN Cc1nonc1[C@H](C)NCCC(C)(C)C ZINC000924790758 646106232 /nfs/dbraw/zinc/10/62/32/646106232.db2.gz DATLBCPXHJOHQA-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN CCN(Cc1cc(C)nnc1C)C[C@@H]1CCCO1 ZINC000929417550 646114887 /nfs/dbraw/zinc/11/48/87/646114887.db2.gz AUJGWMMFZUVSKM-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CCOC(=O)CN(CC1CC(C)C1)C1CC1 ZINC000929478787 646133072 /nfs/dbraw/zinc/13/30/72/646133072.db2.gz DOUHHFZRUACQBF-UHFFFAOYSA-N 0 1 225.332 2.060 20 0 BEADMN CCOCCOCCN(CC)Cc1ccoc1 ZINC000929477992 646134959 /nfs/dbraw/zinc/13/49/59/646134959.db2.gz NYDAWEHGHDUWIH-UHFFFAOYSA-N 0 1 241.331 2.155 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCOC1 ZINC000924988675 646153100 /nfs/dbraw/zinc/15/31/00/646153100.db2.gz SUCFXQTVIWXQJV-MNOVXSKESA-N 0 1 236.315 2.129 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccns2)CCS1 ZINC000929518666 646166864 /nfs/dbraw/zinc/16/68/64/646166864.db2.gz QQTLVCJBYTXOSO-SECBINFHSA-N 0 1 228.386 2.123 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3oc(C)nc32)n[nH]1 ZINC000925104122 646186342 /nfs/dbraw/zinc/18/63/42/646186342.db2.gz RVDGYCFETJMYAE-NSHDSACASA-N 0 1 246.314 2.182 20 0 BEADMN CCc1cc(CN[C@@H](C)C2(Cl)CC2)on1 ZINC000925128676 646190460 /nfs/dbraw/zinc/19/04/60/646190460.db2.gz DCFOAQZUWHHVOX-QMMMGPOBSA-N 0 1 228.723 2.487 20 0 BEADMN CCc1cnc(CN[C@@H](C)C(C)(C)CO)s1 ZINC000925165586 646200261 /nfs/dbraw/zinc/20/02/61/646200261.db2.gz TZIDUQGEPBRILU-VIFPVBQESA-N 0 1 242.388 2.202 20 0 BEADMN CC(C)C[C@@H](CCO)CN[C@H](C)c1ncco1 ZINC000925189094 646201592 /nfs/dbraw/zinc/20/15/92/646201592.db2.gz JZJKUMHHVUJEFH-VXGBXAGGSA-N 0 1 240.347 2.370 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCC(F)(F)F ZINC000925191717 646204750 /nfs/dbraw/zinc/20/47/50/646204750.db2.gz RAGZOLMPIYBCPV-ZCFIWIBFSA-N 0 1 237.225 2.371 20 0 BEADMN CN(CCCC(C)(F)F)Cc1cc[nH]n1 ZINC000929623375 646206441 /nfs/dbraw/zinc/20/64/41/646206441.db2.gz AUIKDTHMZOYSLA-UHFFFAOYSA-N 0 1 217.263 2.277 20 0 BEADMN c1cc(CN[C@@H]2CCOC23CCCCC3)no1 ZINC000925210154 646209958 /nfs/dbraw/zinc/20/99/58/646209958.db2.gz DLBLKPORRICYOH-GFCCVEGCSA-N 0 1 236.315 2.256 20 0 BEADMN CCN(CC(C)(C)O)[C@H](C)c1snnc1C ZINC000929644238 646220427 /nfs/dbraw/zinc/22/04/27/646220427.db2.gz PHIUBBRIIOATSQ-SECBINFHSA-N 0 1 243.376 2.000 20 0 BEADMN CCc1onc(C)c1CN1CCSC[C@@H]1C ZINC000929689559 646245633 /nfs/dbraw/zinc/24/56/33/646245633.db2.gz WTPSRVUWTPHGBW-VIFPVBQESA-N 0 1 240.372 2.483 20 0 BEADMN CCc1onc(C)c1CN1CCSC[C@H]1C ZINC000929689556 646247965 /nfs/dbraw/zinc/24/79/65/646247965.db2.gz WTPSRVUWTPHGBW-SECBINFHSA-N 0 1 240.372 2.483 20 0 BEADMN CCc1cccc(NC(=O)NC[C@H]2CCN2C)c1 ZINC000925394518 646259533 /nfs/dbraw/zinc/25/95/33/646259533.db2.gz PGNDCAUQNDAZSI-CYBMUJFWSA-N 0 1 247.342 2.075 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@H](C)c1nn(CC)nc1C ZINC000925486762 646296755 /nfs/dbraw/zinc/29/67/55/646296755.db2.gz VAEOUFHXNDKUOY-JLLWLGSASA-N 0 1 236.363 2.446 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@@H](C)c1nn(CC)nc1C ZINC000925486763 646298017 /nfs/dbraw/zinc/29/80/17/646298017.db2.gz VAEOUFHXNDKUOY-MVWJERBFSA-N 0 1 236.363 2.446 20 0 BEADMN C[C@@H](NCC1(C)CCC1)c1cc(CO)on1 ZINC000925498001 646301636 /nfs/dbraw/zinc/30/16/36/646301636.db2.gz LIBYDQLLCCMTTM-SECBINFHSA-N 0 1 224.304 2.008 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000925545157 646318371 /nfs/dbraw/zinc/31/83/71/646318371.db2.gz CNKFGTXUDULHQO-SCZZXKLOSA-N 0 1 238.356 2.145 20 0 BEADMN CCCC1(CN[C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000925538995 646322731 /nfs/dbraw/zinc/32/27/31/646322731.db2.gz VGRFBZFBFNKZAA-QWRGUYRKSA-N 0 1 234.347 2.454 20 0 BEADMN CS[C@H](C)CN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925599614 646347218 /nfs/dbraw/zinc/34/72/18/646347218.db2.gz ASQXQYKEMYVZNF-ZJUUUORDSA-N 0 1 242.392 2.261 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1CC(C)C1 ZINC000929834798 646348479 /nfs/dbraw/zinc/34/84/79/646348479.db2.gz LAMPLPACPARHAE-CXQJBGSLSA-N 0 1 227.348 2.304 20 0 BEADMN CSC1CC(NCc2ncccc2F)C1 ZINC000925598898 646350945 /nfs/dbraw/zinc/35/09/45/646350945.db2.gz NDVXHUALUZQANS-UHFFFAOYSA-N 0 1 226.320 2.204 20 0 BEADMN COC/C(C)=C\CN1CCOC(C)(C)[C@@H]1C ZINC000929840688 646351997 /nfs/dbraw/zinc/35/19/97/646351997.db2.gz FJBGXXSLIYZQMA-DSDFTUOUSA-N 0 1 227.348 2.078 20 0 BEADMN COC/C(C)=C\CN1CCOC2(CCCC2)C1 ZINC000929846212 646357620 /nfs/dbraw/zinc/35/76/20/646357620.db2.gz IJDHGNVGDUICFE-ACAGNQJTSA-N 0 1 239.359 2.224 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H]1C ZINC000929847133 646358391 /nfs/dbraw/zinc/35/83/91/646358391.db2.gz KSIQUOMWLCYDFI-NGDQXYMTSA-N 0 1 245.313 2.387 20 0 BEADMN CCC(CC)(CO)CN[C@H](C)c1ncco1 ZINC000925619930 646367999 /nfs/dbraw/zinc/36/79/99/646367999.db2.gz CDVLCJZODHJDJH-SNVBAGLBSA-N 0 1 226.320 2.124 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC[C@H]1c1ccc[nH]1 ZINC000929887366 646368477 /nfs/dbraw/zinc/36/84/77/646368477.db2.gz UTKABPAOEMEJDH-FUWURINLSA-N 0 1 248.326 2.271 20 0 BEADMN CCC(C)(C)N(C)Cc1noc2c1COCC2 ZINC000929978724 646383299 /nfs/dbraw/zinc/38/32/99/646383299.db2.gz HRKSDEMQFOAXJP-UHFFFAOYSA-N 0 1 238.331 2.368 20 0 BEADMN C[C@H](N[C@@H](C)c1ccnnc1)c1ccc[nH]1 ZINC000925646607 646387882 /nfs/dbraw/zinc/38/78/82/646387882.db2.gz VINIEQMUWWLTEF-UWVGGRQHSA-N 0 1 216.288 2.217 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCO[C@@H]1C ZINC000925662331 646398081 /nfs/dbraw/zinc/39/80/81/646398081.db2.gz GUDPLCDEAVLLBR-MIMYLULJSA-N 0 1 236.315 2.127 20 0 BEADMN Cc1cc(C)nc(CN2CCCOC[C@@H]2C)c1 ZINC000930067986 646417374 /nfs/dbraw/zinc/41/73/74/646417374.db2.gz QMYSYEHAQGQOKQ-ZDUSSCGKSA-N 0 1 234.343 2.309 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N1CCCSCC1 ZINC000930119997 646441373 /nfs/dbraw/zinc/44/13/73/646441373.db2.gz UGWUXRHJMYSTEO-MNOVXSKESA-N 0 1 245.388 2.013 20 0 BEADMN Fc1cccc2c1CN(CCOC1CC1)CC2 ZINC000930158864 646464721 /nfs/dbraw/zinc/46/47/21/646464721.db2.gz PGUWFFIKOBLLOZ-UHFFFAOYSA-N 0 1 235.302 2.363 20 0 BEADMN COc1cc([C@@H](C)NCCOC(C)(C)C)on1 ZINC000925780731 646477321 /nfs/dbraw/zinc/47/73/21/646477321.db2.gz VJCHYUMPVDQJQC-SECBINFHSA-N 0 1 242.319 2.149 20 0 BEADMN CC(C)C[C@H](N[C@@H]1CNOC1)c1cccs1 ZINC000925864844 646517019 /nfs/dbraw/zinc/51/70/19/646517019.db2.gz UFTGCFBSIZVNAN-MNOVXSKESA-N 0 1 240.372 2.328 20 0 BEADMN Cc1cc(C)c([C@H](C)N[C@H]2CNOC2)cc1C ZINC000925870262 646521335 /nfs/dbraw/zinc/52/13/35/646521335.db2.gz QPYMCXFUTJNAGR-STQMWFEESA-N 0 1 234.343 2.166 20 0 BEADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CNOC1 ZINC000925870268 646521386 /nfs/dbraw/zinc/52/13/86/646521386.db2.gz CHQRRQUKFKQPDD-MDZLAQPJSA-N 0 1 232.327 2.036 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@H]1CCCCS1 ZINC000926130745 646577444 /nfs/dbraw/zinc/57/74/44/646577444.db2.gz RXWUEGPPXVAJQU-PSASIEDQSA-N 0 1 241.360 2.314 20 0 BEADMN C[C@H](N[C@H](CCO)c1ccco1)C1(Cl)CC1 ZINC000926195864 646592313 /nfs/dbraw/zinc/59/23/13/646592313.db2.gz GJKWHWSNDXICOB-VHSXEESVSA-N 0 1 243.734 2.453 20 0 BEADMN CC(C)=CCCN[C@H](C)c1nonc1C ZINC000926264232 646608313 /nfs/dbraw/zinc/60/83/13/646608313.db2.gz FBWBQHZOUACSPT-SECBINFHSA-N 0 1 209.293 2.385 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NCCC[C@H](C)O ZINC000926316623 646616357 /nfs/dbraw/zinc/61/63/57/646616357.db2.gz WIQPULPNBFENGE-ONGXEEELSA-N 0 1 238.331 2.111 20 0 BEADMN CCSCCCN[C@@H](C)c1nonc1C ZINC000926361841 646621546 /nfs/dbraw/zinc/62/15/46/646621546.db2.gz PKNLHXVLGXLNHN-QMMMGPOBSA-N 0 1 229.349 2.172 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926345068 646621913 /nfs/dbraw/zinc/62/19/13/646621913.db2.gz BQGOETPTMDQCQZ-GWOFURMSSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@H](N[C@@H](C)c1cnnn1C)c1ccsc1 ZINC000926369714 646628873 /nfs/dbraw/zinc/62/88/73/646628873.db2.gz NNQXNWWOYDFEMD-IUCAKERBSA-N 0 1 236.344 2.288 20 0 BEADMN CC(C)SCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000926419499 646632489 /nfs/dbraw/zinc/63/24/89/646632489.db2.gz APQBKNXEGFNORF-ZJUUUORDSA-N 0 1 240.376 2.015 20 0 BEADMN CC(C)[C@@H]1COCC[C@@H]1NCC(C)(F)F ZINC000926485300 646657958 /nfs/dbraw/zinc/65/79/58/646657958.db2.gz DKWJBGBBQLYKCU-UWVGGRQHSA-N 0 1 221.291 2.292 20 0 BEADMN CCC1(N[C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926508663 646667933 /nfs/dbraw/zinc/66/79/33/646667933.db2.gz IEOBQNLMHQWZMP-SNVBAGLBSA-N 0 1 222.336 2.452 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000924407249 711576830 /nfs/dbraw/zinc/57/68/30/711576830.db2.gz HOPLFDDTFPLPAF-PELKAZGASA-N 0 1 235.287 2.074 20 0 BEADMN COCCCNCc1nc(C(C)(C)C)co1 ZINC000724382489 711577989 /nfs/dbraw/zinc/57/79/89/711577989.db2.gz TYCGWRJQEQHAMY-UHFFFAOYSA-N 0 1 226.320 2.098 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2cnsn2)[C@@H]1C ZINC000399772953 711760243 /nfs/dbraw/zinc/76/02/43/711760243.db2.gz GJKWPPJXWWXICA-KKZNHRDASA-N 0 1 225.361 2.452 20 0 BEADMN CC(C)(O)[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000721884073 711810983 /nfs/dbraw/zinc/81/09/83/711810983.db2.gz VXHMCSYPXCFKLQ-MRVPVSSYSA-N 0 1 238.158 2.398 20 0 BEADMN Cc1cn[nH]c1CSC1=N[C@H](C)CS1 ZINC000917367593 711874999 /nfs/dbraw/zinc/87/49/99/711874999.db2.gz KAVMNHIZTLFCDV-SSDOTTSWSA-N 0 1 227.358 2.443 20 0 BEADMN CSCC[C@H](C)NCc1nnc(C)s1 ZINC000704741521 712114944 /nfs/dbraw/zinc/11/49/44/712114944.db2.gz VYEVESTVQFAQCM-ZETCQYMHSA-N 0 1 231.390 2.078 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1csc(C2CC2)n1 ZINC000708205738 712183911 /nfs/dbraw/zinc/18/39/11/712183911.db2.gz SQSRSBOZXXDLCT-KWQFWETISA-N 0 1 238.356 2.145 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1csc(C2CC2)n1 ZINC000708205737 712184225 /nfs/dbraw/zinc/18/42/25/712184225.db2.gz SQSRSBOZXXDLCT-KCJUWKMLSA-N 0 1 238.356 2.145 20 0 BEADMN CSC1CC(N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000708256149 712185087 /nfs/dbraw/zinc/18/50/87/712185087.db2.gz DEJYNNVNWPHGPC-SFXRXQKFSA-N 0 1 237.372 2.373 20 0 BEADMN Cc1conc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000708288894 712185361 /nfs/dbraw/zinc/18/53/61/712185361.db2.gz HEZHLMLMDNFHRP-NSHDSACASA-N 0 1 238.331 2.419 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709058141 712207202 /nfs/dbraw/zinc/20/72/02/712207202.db2.gz CDPFVWCOTAYQJJ-CBAPKCEASA-N 0 1 239.237 2.124 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711406819 712298372 /nfs/dbraw/zinc/29/83/72/712298372.db2.gz JXUKIQUBOPZEAN-QMMMGPOBSA-N 0 1 225.313 2.288 20 0 BEADMN c1csc(CNC[C@@H]2CCC3(CCC3)O2)n1 ZINC000711458580 712304829 /nfs/dbraw/zinc/30/48/29/712304829.db2.gz YMNDZHSVTHOPDQ-JTQLQIEISA-N 0 1 238.356 2.334 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC000711661577 712314685 /nfs/dbraw/zinc/31/46/85/712314685.db2.gz DXOBLYNJUSDVLY-YPMHNXCESA-N 0 1 223.316 2.116 20 0 BEADMN CC[C@H]1CN(C/C=C\Cl)CCCO1 ZINC000379373339 712378242 /nfs/dbraw/zinc/37/82/42/712378242.db2.gz LDTVBKHGEVKETN-ATPLWMGHSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@](C)(NCCN1CCCC1)C(F)(F)F ZINC000379465699 712385675 /nfs/dbraw/zinc/38/56/75/712385675.db2.gz XHZCZGWLKCEPBF-JTQLQIEISA-N 0 1 238.297 2.403 20 0 BEADMN CC(C)[C@](C)(CO)NC/C(Cl)=C\Cl ZINC000379417287 712384402 /nfs/dbraw/zinc/38/44/02/712384402.db2.gz UHYAOUCPYZEMQU-SGDMMICCSA-N 0 1 226.147 2.302 20 0 BEADMN c1nc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)co1 ZINC000712371171 712428318 /nfs/dbraw/zinc/42/83/18/712428318.db2.gz BHKGIIGVTWFOPZ-ZMLRMANQSA-N 0 1 206.289 2.343 20 0 BEADMN C=C/C=C/CC[N@H+](CC(=O)[O-])C1CCCC1 ZINC000713701531 712469373 /nfs/dbraw/zinc/46/93/73/712469373.db2.gz JUKRXWSDNDBSBB-ONEGZZNKSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C/CC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000713711140 712470079 /nfs/dbraw/zinc/47/00/79/712470079.db2.gz PCOFIWYCYXXFPD-XMXMHJJKSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000713710824 712470096 /nfs/dbraw/zinc/47/00/96/712470096.db2.gz JVSOLQUGJUOSRQ-DFPOMNKCSA-N 0 1 223.316 2.304 20 0 BEADMN C[C@@H](NCC(C)(C)C(C)(F)F)c1cn(C)nn1 ZINC000715924898 712542971 /nfs/dbraw/zinc/54/29/71/712542971.db2.gz YSDGBPJYDZQOJF-MRVPVSSYSA-N 0 1 246.305 2.147 20 0 BEADMN CCCn1cc([C@@H](C)NCCC(C)(C)F)nn1 ZINC000715950323 712545100 /nfs/dbraw/zinc/54/51/00/712545100.db2.gz KVGCIKYBLPAUIN-SNVBAGLBSA-N 0 1 242.342 2.477 20 0 BEADMN CC[C@H](C[C@@H](C)O)NCc1ncc(Cl)s1 ZINC000716956091 712599900 /nfs/dbraw/zinc/59/99/00/712599900.db2.gz SAQAMQDIMNHQRG-HTQZYQBOSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@H](C[C@@H](C)O)N[C@@H](C)c1cscn1 ZINC000716956058 712599839 /nfs/dbraw/zinc/59/98/39/712599839.db2.gz RVFDYYURWPTWAB-KXUCPTDWSA-N 0 1 228.361 2.343 20 0 BEADMN CCCc1noc(CNC2(C3CC3)CCC2)n1 ZINC000717834953 712686197 /nfs/dbraw/zinc/68/61/97/712686197.db2.gz HEZDLGAELGMQDN-UHFFFAOYSA-N 0 1 235.331 2.444 20 0 BEADMN Cn1c(Cl)cnc1CNC1CC(C)(C)C1 ZINC000380179210 712706054 /nfs/dbraw/zinc/70/60/54/712706054.db2.gz LESOEQMOSRYTSG-UHFFFAOYSA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCSC1 ZINC000718364690 712756766 /nfs/dbraw/zinc/75/67/66/712756766.db2.gz YZNZXQKICNXFPE-QWRGUYRKSA-N 0 1 245.388 2.171 20 0 BEADMN COC(=O)CN(CCCC(C)(F)F)C(C)C ZINC000718572012 712775181 /nfs/dbraw/zinc/77/51/81/712775181.db2.gz BYWYUEWKODZJOA-UHFFFAOYSA-N 0 1 237.290 2.305 20 0 BEADMN Cc1cc(CN[C@H]2CCC(F)(F)C2)no1 ZINC000720420967 712841521 /nfs/dbraw/zinc/84/15/21/712841521.db2.gz PKEFVMRFKZYZCG-QMMMGPOBSA-N 0 1 216.231 2.260 20 0 BEADMN COc1cc(CNC2(C)CC(F)(F)C2)sn1 ZINC000720948574 712881329 /nfs/dbraw/zinc/88/13/29/712881329.db2.gz CMRHWFBOBBJZAK-UHFFFAOYSA-N 0 1 248.298 2.429 20 0 BEADMN C[C@@H]1SCC[C@H]1NCc1ncc(Cl)n1C ZINC000380322207 712883587 /nfs/dbraw/zinc/88/35/87/712883587.db2.gz KTRJETANXUNKHC-JGVFFNPUSA-N 0 1 245.779 2.057 20 0 BEADMN c1ncn2cc(-c3cnc4nccnc4c3)ccc12 ZINC001244042783 1169764996 /nfs/dbraw/zinc/76/49/96/1169764996.db2.gz AWPQYJXDXHZFED-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721207818 712898367 /nfs/dbraw/zinc/89/83/67/712898367.db2.gz SWMNDTRTPZQXIM-XQHKEYJVSA-N 0 1 239.359 2.321 20 0 BEADMN CCc1cc(CN[C@@H](C)c2nccs2)n[nH]1 ZINC000381313440 710619874 /nfs/dbraw/zinc/61/98/74/710619874.db2.gz MFIBRQNFLDVPRV-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CS/C=C/c1nc([C@@H](N)CC(C)C)no1 ZINC000381488155 710644884 /nfs/dbraw/zinc/64/48/84/710644884.db2.gz WEBDWYLQHBYSAN-ZJELKQJVSA-N 0 1 227.333 2.449 20 0 BEADMN OC[C@@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000381631730 710664797 /nfs/dbraw/zinc/66/47/97/710664797.db2.gz QVPJLYHAQPHHOE-GFCCVEGCSA-N 0 1 243.709 2.340 20 0 BEADMN CCO[C@@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000721237713 712899915 /nfs/dbraw/zinc/89/99/15/712899915.db2.gz SWWCSXGJSCSQRF-WCQYABFASA-N 0 1 238.331 2.420 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)CC1(C)C ZINC000380377314 712900350 /nfs/dbraw/zinc/90/03/50/712900350.db2.gz JWZZXKDYMVGHDE-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(CC[N@H+]1CCC2(CCC2)C1)C(=O)[O-] ZINC000380388388 712900471 /nfs/dbraw/zinc/90/04/71/712900471.db2.gz WTTHEQKSPHXRRS-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000723140662 710726172 /nfs/dbraw/zinc/72/61/72/710726172.db2.gz VCOJUHRYSWISMB-KSSYENDESA-N 0 1 237.343 2.218 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000723087540 710726396 /nfs/dbraw/zinc/72/63/96/710726396.db2.gz ZGNKXVMMDGSRLC-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN COC(=O)CCCN(Cc1ccoc1)C1CC1 ZINC000723724078 710731605 /nfs/dbraw/zinc/73/16/05/710731605.db2.gz HAYLDSBSBLMLQB-UHFFFAOYSA-N 0 1 237.299 2.197 20 0 BEADMN C[C@@]1(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CCCS1 ZINC000382012957 710765221 /nfs/dbraw/zinc/76/52/21/710765221.db2.gz NEWFTKOXDOIPIH-PWSUYJOCSA-N 0 1 243.372 2.211 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])C[C@]1(C)CCCS1 ZINC000382046633 710768645 /nfs/dbraw/zinc/76/86/45/710768645.db2.gz ZOHYUQYZBDDPHX-LBPRGKRZSA-N 0 1 245.388 2.315 20 0 BEADMN CC(=O)N(C)C1CN(CCC2CCCCC2)C1 ZINC001042392064 710777313 /nfs/dbraw/zinc/77/73/13/710777313.db2.gz STTQSQGHHVMZKV-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(=O)N(C)C1CN(CCC2CCCC2)C1 ZINC001042389408 710778049 /nfs/dbraw/zinc/77/80/49/710778049.db2.gz OPGFFIFSHQDTAN-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CN(C(=O)C=C1CCC1)C1CN(CCC2CC2)C1 ZINC001042598602 710795164 /nfs/dbraw/zinc/79/51/64/710795164.db2.gz WQYYWIXXRZQZEV-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN O=C([O-])Cc1ccccc1C[N@@H+]1CC=CCC1 ZINC000382525327 710945984 /nfs/dbraw/zinc/94/59/84/710945984.db2.gz FOPWXGLHQIALDF-UHFFFAOYSA-N 0 1 231.295 2.076 20 0 BEADMN CC/C=C\CNCc1c(Cl)c(C)nn1C ZINC000384770440 710959086 /nfs/dbraw/zinc/95/90/86/710959086.db2.gz BRRQMMLIXJPBFX-WAYWQWQTSA-N 0 1 227.739 2.438 20 0 BEADMN Cc1nc([C@H]2CCCN2C[C@H](C)CO)cs1 ZINC000681463791 710966901 /nfs/dbraw/zinc/96/69/01/710966901.db2.gz LRUPNFOUURRHPJ-JOYOIKCWSA-N 0 1 240.372 2.217 20 0 BEADMN Cc1cnccc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000384827486 710997305 /nfs/dbraw/zinc/99/73/05/710997305.db2.gz DQDUNFJAZUQOKQ-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000389571410 711080535 /nfs/dbraw/zinc/08/05/35/711080535.db2.gz BMKXIVSLXFWRFC-MRVPVSSYSA-N 0 1 228.679 2.267 20 0 BEADMN O=C([O-])CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000389887122 711094892 /nfs/dbraw/zinc/09/48/92/711094892.db2.gz SHBZVCMUPDDUKT-UHFFFAOYSA-N 0 1 225.675 2.130 20 0 BEADMN O=C([O-])CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000389887122 711094895 /nfs/dbraw/zinc/09/48/95/711094895.db2.gz SHBZVCMUPDDUKT-UHFFFAOYSA-N 0 1 225.675 2.130 20 0 BEADMN Cc1nnc(CNC[C@@H]2CCCC2(F)F)s1 ZINC000391890633 711141583 /nfs/dbraw/zinc/14/15/83/711141583.db2.gz CSPSOQOYZFMSPK-QMMMGPOBSA-N 0 1 247.314 2.372 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])C[C@]1(C)CCCS1 ZINC000392992762 711155338 /nfs/dbraw/zinc/15/53/38/711155338.db2.gz NBTGNNXDUBURPQ-NSHDSACASA-N 0 1 231.361 2.069 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCCC2CC2)C1 ZINC000394489255 711193499 /nfs/dbraw/zinc/19/34/99/711193499.db2.gz BGBCAPOUMXZOBI-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1cccnc1Cl ZINC000393803244 711175794 /nfs/dbraw/zinc/17/57/94/711175794.db2.gz WEZMBJGSGNNQJY-SNVBAGLBSA-N 0 1 242.750 2.328 20 0 BEADMN COC(OC)[C@@H](C)NCc1sccc1Cl ZINC000394070090 711183297 /nfs/dbraw/zinc/18/32/97/711183297.db2.gz QVFSFPMKZNHADM-SSDOTTSWSA-N 0 1 249.763 2.499 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000394793726 711197758 /nfs/dbraw/zinc/19/77/58/711197758.db2.gz OMMUYPPBTAEWDP-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)C[C@H](NCc2cc(C#N)ccc2F)CO1 ZINC000396549791 711353002 /nfs/dbraw/zinc/35/30/02/711353002.db2.gz RGDNQEBFDCRXKY-LBPRGKRZSA-N 0 1 248.301 2.354 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCC2CC2)C1 ZINC000398801412 711415917 /nfs/dbraw/zinc/41/59/17/711415917.db2.gz SWXUETOCQQMKPF-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCC2CC2)C1 ZINC000398801414 711415984 /nfs/dbraw/zinc/41/59/84/711415984.db2.gz SWXUETOCQQMKPF-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)C[C@@H]1CC ZINC000399497632 711430241 /nfs/dbraw/zinc/43/02/41/711430241.db2.gz BXYWRHAXADYUFJ-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000380891695 710594171 /nfs/dbraw/zinc/59/41/71/710594171.db2.gz OPPCPSNYFLWPAC-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccc(Cl)nc1 ZINC000381442120 710636738 /nfs/dbraw/zinc/63/67/38/710636738.db2.gz ZQIUANMTFQZXIA-SNVBAGLBSA-N 0 1 240.734 2.080 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000383609051 710984080 /nfs/dbraw/zinc/98/40/80/710984080.db2.gz MDLMMSCQFMZYHU-GWCFXTLKSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1[nH+]c(N2CCC=C(F)C2)ccc1C(=O)[O-] ZINC000383607451 710984313 /nfs/dbraw/zinc/98/43/13/710984313.db2.gz WYPUSHSUPLJNQP-UHFFFAOYSA-N 0 1 236.246 2.152 20 0 BEADMN C[C@@H](c1ccccc1)N(C)Cc1cnc(N)cn1 ZINC000383636864 710984374 /nfs/dbraw/zinc/98/43/74/710984374.db2.gz LVPQXBCKSMYBLY-NSHDSACASA-N 0 1 242.326 2.252 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC000384975288 711002010 /nfs/dbraw/zinc/00/20/10/711002010.db2.gz HVONOMBPYHNAFK-RISCZKNCSA-N 0 1 242.326 2.155 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(F)cc2C)n[nH]1 ZINC000392440799 711146721 /nfs/dbraw/zinc/14/67/21/711146721.db2.gz ADHWPNKSQXMZHH-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1ccsc1CN[C@@H](C)c1n[nH]c(C)n1 ZINC000392421227 711147068 /nfs/dbraw/zinc/14/70/68/711147068.db2.gz PTKWPQMZQRANPR-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nc([C@@H](C)NCc2cccc(F)c2)n[nH]1 ZINC000392442898 711147140 /nfs/dbraw/zinc/14/71/40/711147140.db2.gz BWWXDOBWDBCEMJ-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN Cc1nc([C@@H](C)NCc2cc(F)ccc2C)n[nH]1 ZINC000392446822 711147246 /nfs/dbraw/zinc/14/72/46/711147246.db2.gz FHGZEIMFLRJBOP-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc([C@@H](C)NCc2cccs2)n[nH]1 ZINC000392444073 711147451 /nfs/dbraw/zinc/14/74/51/711147451.db2.gz CMNBAYKQCIXVQO-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN CCc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)o1 ZINC000392462813 711148940 /nfs/dbraw/zinc/14/89/40/711148940.db2.gz ODSKYIXFYQFFSW-QMMMGPOBSA-N 0 1 234.303 2.119 20 0 BEADMN Cc1nc(CNCC2=CCOCC2)sc1C ZINC000397810006 711392591 /nfs/dbraw/zinc/39/25/91/711392591.db2.gz ZEUJXRKACDCSST-UHFFFAOYSA-N 0 1 238.356 2.196 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2cnsn2)[C@@H](C)C1 ZINC000399722493 711433466 /nfs/dbraw/zinc/43/34/66/711433466.db2.gz FXKGJABHQLHFGX-WCABBAIRSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CC[C@H](NCc2cnsn2)[C@@H](C)C1 ZINC000399722494 711434077 /nfs/dbraw/zinc/43/40/77/711434077.db2.gz FXKGJABHQLHFGX-YWVKMMECSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1scc(CNCc2cncnc2)c1C ZINC000399763397 711435463 /nfs/dbraw/zinc/43/54/63/711435463.db2.gz GMVWSLJUGHFHNQ-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@@H](NCc1cnsn1)C1CCCC1 ZINC000399826193 711435938 /nfs/dbraw/zinc/43/59/38/711435938.db2.gz GELUGKICQLNFQL-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000399995771 711438156 /nfs/dbraw/zinc/43/81/56/711438156.db2.gz KORJVXXYGGFAQI-WTIISPKJSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1ncc(CN2CCO[C@@H](C)CC2)s1 ZINC000932335518 711454167 /nfs/dbraw/zinc/45/41/67/711454167.db2.gz HWRXPVAUNANWJI-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722603230 711455444 /nfs/dbraw/zinc/45/54/44/711455444.db2.gz HIPIOKKVHOYAKU-XLMCQVRKSA-N 0 1 223.316 2.161 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722617752 711455972 /nfs/dbraw/zinc/45/59/72/711455972.db2.gz PWIXVHDALAABHE-BXKDBHETSA-N 0 1 237.299 2.131 20 0 BEADMN CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722638469 711456868 /nfs/dbraw/zinc/45/68/68/711456868.db2.gz RVKZMKYCESIMQQ-GMTAPVOTSA-N 0 1 213.321 2.075 20 0 BEADMN CC[C@H](C)Nc1nc(Cl)nc2[nH]cnc21 ZINC000134183083 711490293 /nfs/dbraw/zinc/49/02/93/711490293.db2.gz XCTCPAHYHRZCNH-YFKPBYRVSA-N 0 1 225.683 2.217 20 0 BEADMN CC1(C)[C@H](NCc2scnc2Cl)C[C@@H]1O ZINC000713496884 711491513 /nfs/dbraw/zinc/49/15/13/711491513.db2.gz QUJMILJYTCKOMX-SFYZADRCSA-N 0 1 246.763 2.046 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]1CC ZINC000723069358 711499113 /nfs/dbraw/zinc/49/91/13/711499113.db2.gz CEPKQHBKAGXISD-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723796718 711537316 /nfs/dbraw/zinc/53/73/16/711537316.db2.gz COFIKTKFLKOQKN-MXWKQRLJSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](NCC(C)(F)F)[C@@H]1CCCOC1 ZINC000724008017 711555356 /nfs/dbraw/zinc/55/53/56/711555356.db2.gz TZVWQNBOSZIKIN-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN Cc1nocc1CN[C@@H](C)c1ccc[nH]1 ZINC000382377904 711559531 /nfs/dbraw/zinc/55/95/31/711559531.db2.gz ILXPEVAMDAVXAT-VIFPVBQESA-N 0 1 205.261 2.162 20 0 BEADMN CC(C)(C)c1coc(CNC2CCOCC2)n1 ZINC000724387377 711577441 /nfs/dbraw/zinc/57/74/41/711577441.db2.gz ICRMTWYQLDPTEL-UHFFFAOYSA-N 0 1 238.331 2.241 20 0 BEADMN C[C@@H](CCO)CNCc1nc(C(C)(C)C)co1 ZINC000724407219 711578152 /nfs/dbraw/zinc/57/81/52/711578152.db2.gz CXKAVNKJKCDQPD-JTQLQIEISA-N 0 1 240.347 2.080 20 0 BEADMN CO[C@H](C)CCNCc1nc(C(C)(C)C)co1 ZINC000724408889 711579011 /nfs/dbraw/zinc/57/90/11/711579011.db2.gz WBXJSRHOEKRRMY-SNVBAGLBSA-N 0 1 240.347 2.487 20 0 BEADMN CC(C)(C)[C@@H]1C[C@@H](NCc2ncccn2)CCO1 ZINC000721509927 711580440 /nfs/dbraw/zinc/58/04/40/711580440.db2.gz ZWAPHWYZJCUKIG-RYUDHWBXSA-N 0 1 249.358 2.160 20 0 BEADMN C[C@H]1CCN(Cc2nccn2C2CC2)[C@H]1C ZINC000892214355 711582928 /nfs/dbraw/zinc/58/29/28/711582928.db2.gz HJEFGVPBXNSWTR-QWRGUYRKSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721528866 711618235 /nfs/dbraw/zinc/61/82/35/711618235.db2.gz BVUNADMGIZLLHJ-VHSXEESVSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H](C)C1 ZINC000721545137 711621457 /nfs/dbraw/zinc/62/14/57/711621457.db2.gz FSPCFEHWWMLNCM-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@@H]1C ZINC000721547823 711622764 /nfs/dbraw/zinc/62/27/64/711622764.db2.gz MHBPRXDXAWTARD-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1cnc(CNC2(C3CC3)CCC2)o1 ZINC000717835923 711627111 /nfs/dbraw/zinc/62/71/11/711627111.db2.gz MSUQBZYIFBZXQQ-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC23CC(O)C3)o1 ZINC000724931347 711630283 /nfs/dbraw/zinc/63/02/83/711630283.db2.gz MPZXLBYQSHQELO-WHFATNRMSA-N 0 1 247.338 2.406 20 0 BEADMN O[C@@H](CN1CCC1)c1cccc(C(F)(F)F)c1 ZINC000383103110 711668000 /nfs/dbraw/zinc/66/80/00/711668000.db2.gz CHXLSLPLTADZMX-NSHDSACASA-N 0 1 245.244 2.445 20 0 BEADMN Cc1cc(CNC[C@]23C[C@H]2CCC3)no1 ZINC000720354896 711683606 /nfs/dbraw/zinc/68/36/06/711683606.db2.gz JDWUMABVOHTLBD-PWSUYJOCSA-N 0 1 206.289 2.263 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000723078122 711726282 /nfs/dbraw/zinc/72/62/82/711726282.db2.gz MRVDKONCRQEKEL-NTZNESFSSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCCC[C@@H]1C(=O)OC ZINC000723091198 711726940 /nfs/dbraw/zinc/72/69/40/711726940.db2.gz GLIMVSPORMXVFD-GRYCIOLGSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1nccn1C ZINC000722314720 711734658 /nfs/dbraw/zinc/73/46/58/711734658.db2.gz DZBOJPVYARLGEZ-DRZSPHRISA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@@H](C3CC3)O2)[nH]c1C ZINC000722317580 711734830 /nfs/dbraw/zinc/73/48/30/711734830.db2.gz UDHLGMGHIBVKAG-OLZOCXBDSA-N 0 1 249.358 2.074 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccon2)CCS1 ZINC000725652295 711759005 /nfs/dbraw/zinc/75/90/05/711759005.db2.gz FKGMEONUDYYQGO-BDAKNGLRSA-N 0 1 212.318 2.048 20 0 BEADMN C[C@H]1C[C@H](NCc2ccon2)CCS1 ZINC000725652296 711759007 /nfs/dbraw/zinc/75/90/07/711759007.db2.gz FKGMEONUDYYQGO-DTWKUNHWSA-N 0 1 212.318 2.048 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC000928565341 711778862 /nfs/dbraw/zinc/77/88/62/711778862.db2.gz XMVHNSMEGUPEAD-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN O=C(OCCN1CCC1)C1(C(F)F)CCCC1 ZINC000861391902 711790758 /nfs/dbraw/zinc/79/07/58/711790758.db2.gz KVDLRTGVFMAHNV-UHFFFAOYSA-N 0 1 247.285 2.061 20 0 BEADMN COC(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000925270831 711793320 /nfs/dbraw/zinc/79/33/20/711793320.db2.gz PNALUKJLDGQFHC-JTQLQIEISA-N 0 1 238.331 2.375 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)C(C)(F)F ZINC000389480475 711793396 /nfs/dbraw/zinc/79/33/96/711793396.db2.gz FIZTZDAVBNZPMT-BBBLOLIVSA-N 0 1 232.318 2.245 20 0 BEADMN CCn1cc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)nn1 ZINC000899641751 711803429 /nfs/dbraw/zinc/80/34/29/711803429.db2.gz AXYNPZUYYHYMMN-UTUOFQBUSA-N 0 1 236.363 2.164 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000913354048 711821854 /nfs/dbraw/zinc/82/18/54/711821854.db2.gz YVKQFQOYLRIMEJ-DLGQBQFBSA-N 0 1 247.342 2.157 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccsc2)[C@H](C(=O)[O-])C1 ZINC000167586390 711830260 /nfs/dbraw/zinc/83/02/60/711830260.db2.gz BOUCQWDMBGAVPZ-KOLCDFICSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H](N[C@@H]1CCc2cccnc21)c1cn[nH]c1 ZINC000229632955 711838719 /nfs/dbraw/zinc/83/87/19/711838719.db2.gz MFERRVYFGXPYTG-BXKDBHETSA-N 0 1 228.299 2.143 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721270598 711876790 /nfs/dbraw/zinc/87/67/90/711876790.db2.gz CCQJXLBWGHFHSS-KXNHARMFSA-N 0 1 225.332 2.074 20 0 BEADMN C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001032343268 711913371 /nfs/dbraw/zinc/91/33/71/711913371.db2.gz LUAKZVDJAILGIT-NUIMBWKGSA-N 0 1 248.370 2.204 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@@H]2CC23CCC3)n1 ZINC000721283171 711959162 /nfs/dbraw/zinc/95/91/62/711959162.db2.gz FCOKHMLTICYUHF-ZCFIWIBFSA-N 0 1 249.705 2.361 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000140640339 711971642 /nfs/dbraw/zinc/97/16/42/711971642.db2.gz INOSLZVSOPIORH-WDEREUQCSA-N 0 1 215.337 2.464 20 0 BEADMN COCC1(CN2CCC[C@@H]2c2ncc[nH]2)CCC1 ZINC000361352714 711979644 /nfs/dbraw/zinc/97/96/44/711979644.db2.gz FHIRQWGZUHBQND-GFCCVEGCSA-N 0 1 249.358 2.363 20 0 BEADMN C[C@H]1CCCN(Cc2cscn2)[C@@H]1CCO ZINC000700365040 711990354 /nfs/dbraw/zinc/99/03/54/711990354.db2.gz QWIWHZFCYYNDJP-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN CS[C@@H]1CC[C@@H](NCc2ncc(C)o2)C1 ZINC000700369260 711990822 /nfs/dbraw/zinc/99/08/22/711990822.db2.gz YWEYOTPLLMNTCK-NXEZZACHSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@H]1CCN(CC=C(Cl)Cl)C[C@@H]1CO ZINC000700390385 711991460 /nfs/dbraw/zinc/99/14/60/711991460.db2.gz KDMHROVUGJJZED-DTWKUNHWSA-N 0 1 238.158 2.256 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701453336 712023544 /nfs/dbraw/zinc/02/35/44/712023544.db2.gz MXVGYBHOFAIPBU-AAEUAGOBSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701502376 712025015 /nfs/dbraw/zinc/02/50/15/712025015.db2.gz WQJSAMSWSPYYCC-BXUZGUMPSA-N 0 1 249.310 2.275 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)cc1O ZINC000701657556 712026671 /nfs/dbraw/zinc/02/66/71/712026671.db2.gz LZFSVIIOZNRNLH-UHFFFAOYSA-N 0 1 239.290 2.335 20 0 BEADMN CCc1nnc(CNCCC2(F)CCC2)s1 ZINC000702668211 712059496 /nfs/dbraw/zinc/05/94/96/712059496.db2.gz BYTGWRSPVAGBCL-UHFFFAOYSA-N 0 1 243.351 2.472 20 0 BEADMN CCc1nnc(CNC2(CC)CC2)s1 ZINC000702701123 712059998 /nfs/dbraw/zinc/05/99/98/712059998.db2.gz CYDBRUHHZYVSQF-UHFFFAOYSA-N 0 1 211.334 2.133 20 0 BEADMN COC(=O)/C(C)=C/CN(C)[C@@H](C)c1ccncc1 ZINC000383610740 712062237 /nfs/dbraw/zinc/06/22/37/712062237.db2.gz FGXHYESFNYKJCB-VNKGSWCUSA-N 0 1 248.326 2.194 20 0 BEADMN CCCCCCC(=O)N1CCNC[C@H]1C(C)C ZINC000704525895 712109523 /nfs/dbraw/zinc/10/95/23/712109523.db2.gz YXAIJULFJOYBSZ-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1nnc(CNC[C@]2(C)CC2(C)C)s1 ZINC000705252492 712126458 /nfs/dbraw/zinc/12/64/58/712126458.db2.gz LLUCIYAJEKVCFV-NSHDSACASA-N 0 1 225.361 2.372 20 0 BEADMN Cc1cnccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000705301579 712127791 /nfs/dbraw/zinc/12/77/91/712127791.db2.gz BHLBBPUMZXQIRH-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCC(C)(C)C(=O)[O-] ZINC000706204273 712141039 /nfs/dbraw/zinc/14/10/39/712141039.db2.gz ZORRPOCCHAUFNS-AOOOYVTPSA-N 0 1 213.321 2.360 20 0 BEADMN CSC1CC(N[C@@H](C)c2nnc(C)s2)C1 ZINC000706889963 712158837 /nfs/dbraw/zinc/15/88/37/712158837.db2.gz XGCHMUXVSLJJPC-GVWIPJJGSA-N 0 1 243.401 2.391 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1F ZINC000707022232 712164312 /nfs/dbraw/zinc/16/43/12/712164312.db2.gz YTCZHXLGFBUXOY-MFKMUULPSA-N 0 1 249.285 2.207 20 0 BEADMN COCC1(N(C)Cc2cccc(Cl)n2)CC1 ZINC000707148502 712166156 /nfs/dbraw/zinc/16/61/56/712166156.db2.gz WECCHLALFJJBHT-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN CSC1CC(NCc2nccn2C(F)F)C1 ZINC000708284593 712185728 /nfs/dbraw/zinc/18/57/28/712185728.db2.gz WTAYGJBQYPAFNF-UHFFFAOYSA-N 0 1 247.314 2.262 20 0 BEADMN CC(C)[C@H]1CN(CCC(=O)C(C)(C)C)CCO1 ZINC000708884051 712202674 /nfs/dbraw/zinc/20/26/74/712202674.db2.gz XCCFYSHCKWXWJZ-GFCCVEGCSA-N 0 1 241.375 2.349 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)[O-])CC(C)(C)C ZINC000709075759 712207424 /nfs/dbraw/zinc/20/74/24/712207424.db2.gz LZOIVNAZOWWLAB-VIFPVBQESA-N 0 1 201.310 2.075 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)CC(C)(C)C ZINC000709098218 712208768 /nfs/dbraw/zinc/20/87/68/712208768.db2.gz PILFFXPQBRQNRM-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H](NCCc1ccns1)c1cscn1 ZINC000709774478 712222461 /nfs/dbraw/zinc/22/24/61/712222461.db2.gz BTRUBZVCYJWUSW-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN Cc1nccnc1[C@@H](C)NCCOC1CCC1 ZINC000709808373 712227965 /nfs/dbraw/zinc/22/79/65/712227965.db2.gz RMYPROVDGQUZNJ-LLVKDONJSA-N 0 1 235.331 2.005 20 0 BEADMN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC=C(Cl)Cl)C2 ZINC000709808291 712228048 /nfs/dbraw/zinc/22/80/48/712228048.db2.gz IYIVDRKURGXJKP-HRDYMLBCSA-N 0 1 236.142 2.151 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1cn(C)cn1 ZINC000709986759 712237369 /nfs/dbraw/zinc/23/73/69/712237369.db2.gz GOPPDTFPWYVRDJ-SFYZADRCSA-N 0 1 235.253 2.412 20 0 BEADMN CCC[C@@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710181113 712246787 /nfs/dbraw/zinc/24/67/87/712246787.db2.gz QWIVKPKYZYMZKA-NQBHXWOUSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H]1COC[C@H]1NCc1c(F)cccc1F ZINC000711078571 712278737 /nfs/dbraw/zinc/27/87/37/712278737.db2.gz SELLYJOAKUOCGV-QPUJVOFHSA-N 0 1 227.254 2.089 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@@H](CF)C1)C(=O)[O-] ZINC000711472550 712303118 /nfs/dbraw/zinc/30/31/18/712303118.db2.gz XCBPDECTWYAMDM-JTQLQIEISA-N 0 1 231.311 2.169 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](CF)C1 ZINC000711488612 712306472 /nfs/dbraw/zinc/30/64/72/712306472.db2.gz FBCQOXXKSMMXNK-SECBINFHSA-N 0 1 241.262 2.078 20 0 BEADMN CCOCC(C)(C)NCc1nccn1C1CC1 ZINC000711751576 712323752 /nfs/dbraw/zinc/32/37/52/712323752.db2.gz KBIIGJITYRGDOT-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN CCC[C@H](CNCc1nccn1C1CC1)OC ZINC000711753838 712324868 /nfs/dbraw/zinc/32/48/68/712324868.db2.gz ZSBSYBIFJHPDEX-GFCCVEGCSA-N 0 1 237.347 2.123 20 0 BEADMN CO[C@@H]([C@H](C)NCc1nccn1C1CC1)C1CC1 ZINC000711765604 712327369 /nfs/dbraw/zinc/32/73/69/712327369.db2.gz RMNPUYUHMSKFCV-HZMBPMFUSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1nccn1C1CC1 ZINC000711773177 712328830 /nfs/dbraw/zinc/32/88/30/712328830.db2.gz ITFLBNUMHDMXKF-FBKDDSFISA-N 0 1 249.358 2.120 20 0 BEADMN Clc1nc2[nH]cnc2c(NC[C@H]2C=CCC2)n1 ZINC000711786328 712330126 /nfs/dbraw/zinc/33/01/26/712330126.db2.gz MIDLVOKZHWPWCL-ZETCQYMHSA-N 0 1 249.705 2.336 20 0 BEADMN CC(F)(F)CN[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711922540 712339514 /nfs/dbraw/zinc/33/95/14/712339514.db2.gz BBKKVRRQJPZCNY-QWRGUYRKSA-N 0 1 233.302 2.436 20 0 BEADMN Cc1[nH+]c(N2CC[C@@H]3CCC[C@@H]32)ccc1C(=O)[O-] ZINC000378746131 712359092 /nfs/dbraw/zinc/35/90/92/712359092.db2.gz RMJUUSQNHFKURO-JQWIXIFHSA-N 0 1 246.310 2.467 20 0 BEADMN CC(C)SCCNCc1cnn(C)c1Cl ZINC000378865432 712364598 /nfs/dbraw/zinc/36/45/98/712364598.db2.gz ZITQVDIWTFNIMP-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN CC(C)(NCC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000390296647 712396768 /nfs/dbraw/zinc/39/67/68/712396768.db2.gz BBFLVTIIHLNRCG-UHFFFAOYSA-N 0 1 242.706 2.441 20 0 BEADMN CN(C)Cc1ccc(NCc2cocn2)cc1F ZINC000758399152 712408536 /nfs/dbraw/zinc/40/85/36/712408536.db2.gz HXQDSHSCMGUEPA-UHFFFAOYSA-N 0 1 249.289 2.487 20 0 BEADMN Cn1ncc(CNCCC(C)(F)F)c1Cl ZINC000712420336 712429207 /nfs/dbraw/zinc/42/92/07/712429207.db2.gz DOKGRWWGFHFTQM-UHFFFAOYSA-N 0 1 237.681 2.208 20 0 BEADMN CCN1CC[C@H]1CNc1ncnc2ccsc21 ZINC000712594418 712435929 /nfs/dbraw/zinc/43/59/29/712435929.db2.gz IKXHCUJCTOIIDA-VIFPVBQESA-N 0 1 248.355 2.197 20 0 BEADMN CN1CC[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000712614433 712437882 /nfs/dbraw/zinc/43/78/82/712437882.db2.gz LYZZIMYJNJZRBJ-SECBINFHSA-N 0 1 245.248 2.216 20 0 BEADMN CN1CC[C@@H]1CNc1ncccc1C(F)(F)F ZINC000712615083 712438166 /nfs/dbraw/zinc/43/81/66/712438166.db2.gz NHLWNTZJBZEQLR-MRVPVSSYSA-N 0 1 245.248 2.216 20 0 BEADMN C[C@H]1CN(CC[C@@H]2C[C@H]2C2CC2)CCC1=O ZINC000712837160 712449876 /nfs/dbraw/zinc/44/98/76/712449876.db2.gz LTSLFIMODRUZHR-UHTWSYAYSA-N 0 1 221.344 2.334 20 0 BEADMN Cc1nocc1CNC1(C)CC(F)(F)C1 ZINC000713486596 712462269 /nfs/dbraw/zinc/46/22/69/712462269.db2.gz YBDFJSMTAOSLQM-UHFFFAOYSA-N 0 1 216.231 2.260 20 0 BEADMN C=C/C=C/CC[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000713711565 712470106 /nfs/dbraw/zinc/47/01/06/712470106.db2.gz WHJAGPBVVICRDV-YEZKRMTDSA-N 0 1 209.289 2.056 20 0 BEADMN C=C/C=C\CC[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000713710793 712470196 /nfs/dbraw/zinc/47/01/96/712470196.db2.gz IFOKLNXDSYQFMR-PLNGDYQASA-N 0 1 223.316 2.448 20 0 BEADMN CCCn1cc(CNC2CC3(CCC3)C2)nn1 ZINC000714406524 712485071 /nfs/dbraw/zinc/48/50/71/712485071.db2.gz CCJWEOJNMWNFKU-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN CCCn1cc(CNC2(C3CCC3)CC2)nn1 ZINC000714417778 712485660 /nfs/dbraw/zinc/48/56/60/712485660.db2.gz VCEJUFNJEVTOIT-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN COC[C@H]1C[C@@H](N[C@H](C)c2cscn2)C1 ZINC000714442447 712489232 /nfs/dbraw/zinc/48/92/32/712489232.db2.gz GBMJECLKBMVZEH-BBBLOLIVSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1cc(CNC[C@H]2CC[C@@H](C3CC3)O2)on1 ZINC000715405046 712517078 /nfs/dbraw/zinc/51/70/78/712517078.db2.gz UEBZQAUDVMDUKB-YPMHNXCESA-N 0 1 236.315 2.030 20 0 BEADMN C[C@@H](C[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000715447003 712519334 /nfs/dbraw/zinc/51/93/34/712519334.db2.gz PMPFUTGHSVNTMV-WCQGTBRESA-N 0 1 225.332 2.075 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1cn(C)cn1 ZINC000715533826 712526297 /nfs/dbraw/zinc/52/62/97/712526297.db2.gz NNPBLIJHNHYTFI-SUHUHFCYSA-N 0 1 249.358 2.028 20 0 BEADMN c1nc2c(ncnc2NCC[C@@H]2CCCS2)[nH]1 ZINC000715643087 712529966 /nfs/dbraw/zinc/52/99/66/712529966.db2.gz MCDGRXRBADCZRP-QMMMGPOBSA-N 0 1 249.343 2.002 20 0 BEADMN CCCn1cc([C@H](C)NC2CC=CC2)nn1 ZINC000715842778 712532906 /nfs/dbraw/zinc/53/29/06/712532906.db2.gz MJKAJSXTPRDCLY-JTQLQIEISA-N 0 1 220.320 2.057 20 0 BEADMN CCCn1cc([C@H](C)NCCc2ccoc2)nn1 ZINC000715851591 712536462 /nfs/dbraw/zinc/53/64/62/712536462.db2.gz DBXYANQXKVHCHH-NSHDSACASA-N 0 1 248.330 2.174 20 0 BEADMN CCc1ccc(C(=O)NCc2cc(C)[nH]n2)s1 ZINC000716238321 712553322 /nfs/dbraw/zinc/55/33/22/712553322.db2.gz XINJIRQNSQZUNM-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN Clc1ccsc1CNCC1OCCCO1 ZINC000716332272 712555025 /nfs/dbraw/zinc/55/50/25/712555025.db2.gz UGJCZDWJCZTADD-UHFFFAOYSA-N 0 1 247.747 2.254 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000716453132 712561942 /nfs/dbraw/zinc/56/19/42/712561942.db2.gz UAOAMKKWXNPCDA-QGKZMRNZSA-N 0 1 235.331 2.485 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000716450248 712561970 /nfs/dbraw/zinc/56/19/70/712561970.db2.gz KMZIXIDEIFHPNF-ORMBPQIASA-N 0 1 233.315 2.254 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000716458980 712562296 /nfs/dbraw/zinc/56/22/96/712562296.db2.gz DNSQXKHDMMJLQN-KATARQTJSA-N 0 1 233.315 2.167 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000716458984 712562391 /nfs/dbraw/zinc/56/23/91/712562391.db2.gz DNSQXKHDMMJLQN-UTINFBMNSA-N 0 1 233.315 2.167 20 0 BEADMN Cc1[nH]nc(CN[C@H]2C[C@H](C)n3ccnc32)c1C ZINC000716465320 712563015 /nfs/dbraw/zinc/56/30/15/712563015.db2.gz LDNKAABLYZGDQV-KWQFWETISA-N 0 1 245.330 2.019 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ncnc2[nH]cnc21 ZINC000716613821 712567503 /nfs/dbraw/zinc/56/75/03/712567503.db2.gz OBSGECBQHFKMDI-XFWSIPNHSA-N 0 1 243.314 2.009 20 0 BEADMN Cc1n[nH]c(C(=O)NCC=C(Cl)Cl)c1C ZINC000716675527 712569302 /nfs/dbraw/zinc/56/93/02/712569302.db2.gz BMSNXUPXCPBALC-UHFFFAOYSA-N 0 1 248.113 2.075 20 0 BEADMN C[S@@](=O)CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535380 712633715 /nfs/dbraw/zinc/63/37/15/712633715.db2.gz BMCKKBOAIYXGKF-PZSREKOKSA-N 0 1 249.379 2.299 20 0 BEADMN C[S@@](=O)CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535380 712633717 /nfs/dbraw/zinc/63/37/17/712633717.db2.gz BMCKKBOAIYXGKF-PZSREKOKSA-N 0 1 249.379 2.299 20 0 BEADMN c1nc(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)co1 ZINC000717154748 712638081 /nfs/dbraw/zinc/63/80/81/712638081.db2.gz ACSLBJLJDIGRER-HOSYDEDBSA-N 0 1 206.289 2.200 20 0 BEADMN Cc1cnc(CNC[C@H]2CC(C)(C)CO2)s1 ZINC000717602770 712662003 /nfs/dbraw/zinc/66/20/03/712662003.db2.gz XMMDFXMQIFJMJY-SNVBAGLBSA-N 0 1 240.372 2.356 20 0 BEADMN CC1(C)CO[C@H](CNCc2nccn2C2CC2)C1 ZINC000717610346 712662242 /nfs/dbraw/zinc/66/22/42/712662242.db2.gz SYMDNIVCXFEZII-LBPRGKRZSA-N 0 1 249.358 2.123 20 0 BEADMN OC[C@H](NC/C(Cl)=C/Cl)C1CCC1 ZINC000717615382 712662566 /nfs/dbraw/zinc/66/25/66/712662566.db2.gz SOKADVAFCYMORN-OTOXVQDCSA-N 0 1 224.131 2.056 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H](C(F)(F)F)C1)C(F)F ZINC000389898644 712690964 /nfs/dbraw/zinc/69/09/64/712690964.db2.gz AJYHZWGXBLUXAI-XVMARJQXSA-N 0 1 247.207 2.340 20 0 BEADMN CCCN(CCCC(C)(F)F)CC(=O)OC ZINC000718572701 712775112 /nfs/dbraw/zinc/77/51/12/712775112.db2.gz FOTZEJKWKMGKLX-UHFFFAOYSA-N 0 1 237.290 2.307 20 0 BEADMN Cc1coc(CNC[C@@H](O)c2ccsc2)c1 ZINC000718058408 712740042 /nfs/dbraw/zinc/74/00/42/712740042.db2.gz MUWLWYXLSOCPGA-GFCCVEGCSA-N 0 1 237.324 2.473 20 0 BEADMN CC1(C)C[C@@H](NCc2cnc(Cl)s2)CO1 ZINC000718149385 712749141 /nfs/dbraw/zinc/74/91/41/712749141.db2.gz YUAPGMLEZDFCTJ-SSDOTTSWSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@@H]1C[C@H](NCc2cnc(Cl)s2)CO1 ZINC000718214239 712754419 /nfs/dbraw/zinc/75/44/19/712754419.db2.gz VAUFOWBXGNCXTI-RQJHMYQMSA-N 0 1 232.736 2.064 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCC(C)(F)F)C1 ZINC000718635600 712773356 /nfs/dbraw/zinc/77/33/56/712773356.db2.gz IFZMMHCFTSZTGP-UWVGGRQHSA-N 0 1 249.301 2.464 20 0 BEADMN CC(F)(F)CCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000718613926 712773947 /nfs/dbraw/zinc/77/39/47/712773947.db2.gz IMOGMJRGKLUYSO-JTQLQIEISA-N 0 1 235.274 2.218 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCC=CCCC1)c1nnc[nH]1 ZINC000719031589 712794084 /nfs/dbraw/zinc/79/40/84/712794084.db2.gz SDMGNWUEYQIZHQ-QWRGUYRKSA-N 0 1 248.330 2.118 20 0 BEADMN CCCn1c(CNCCOC)nc2ccccc21 ZINC000038046556 712803125 /nfs/dbraw/zinc/80/31/25/712803125.db2.gz ZFDACSJDGPISEO-UHFFFAOYSA-N 0 1 247.342 2.182 20 0 BEADMN CC(C)c1nsc(N[C@@H]2CCN(C)[C@H]2C)n1 ZINC000719572533 712811418 /nfs/dbraw/zinc/81/14/18/712811418.db2.gz VMHXZIZKCCJQQU-DTWKUNHWSA-N 0 1 240.376 2.166 20 0 BEADMN C=CCCC[C@H](C)OC(=O)CCc1nc[nH]n1 ZINC000091119142 712815117 /nfs/dbraw/zinc/81/51/17/712815117.db2.gz DGIJYEVEPJMFGQ-JTQLQIEISA-N 0 1 237.303 2.025 20 0 BEADMN CCOC[C@H](NCc1nocc1C)C(C)C ZINC000720345952 712832481 /nfs/dbraw/zinc/83/24/81/712832481.db2.gz VFIGBWVIVGGQAC-LBPRGKRZSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1conc1CN(CCO)C1CCCCC1 ZINC000720364232 712835953 /nfs/dbraw/zinc/83/59/53/712835953.db2.gz XRBGGHIBGNLIHG-UHFFFAOYSA-N 0 1 238.331 2.110 20 0 BEADMN CC1(CNCc2ccon2)CC(F)(F)C1 ZINC000720920733 712878387 /nfs/dbraw/zinc/87/83/87/712878387.db2.gz UVLMMORAHZXREM-UHFFFAOYSA-N 0 1 216.231 2.200 20 0 BEADMN CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1cccc(C)c1 ZINC001037982531 712896353 /nfs/dbraw/zinc/89/63/53/712896353.db2.gz ZCRSJEHOARIGGI-IUODEOHRSA-N 0 1 246.354 2.266 20 0 BEADMN CCOc1cccnc1N1C[C@H](C)N(C)C[C@H]1C ZINC001164633222 719248057 /nfs/dbraw/zinc/24/80/57/719248057.db2.gz KHTVBXPKUBPDOA-NWDGAFQWSA-N 0 1 249.358 2.009 20 0 BEADMN COC(=O)[C@@H]1CCN1C[C@H]1CCC(C)=C[C@H]1C ZINC001208164264 957049838 /nfs/dbraw/zinc/04/98/38/957049838.db2.gz ZMUYHJMIDJZPOE-UPJWGTAASA-N 0 1 237.343 2.226 20 0 BEADMN CCc1[nH+]ccn1Cc1csc(C(=O)[O-])c1 ZINC000016943952 957101546 /nfs/dbraw/zinc/10/15/46/957101546.db2.gz ZDUQAIMVHFDSDY-UHFFFAOYSA-N 0 1 236.296 2.254 20 0 BEADMN Cc1ccc(F)c(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC001164633552 719172465 /nfs/dbraw/zinc/17/24/65/719172465.db2.gz HLSFYJWTDBFBHE-QWRGUYRKSA-N 0 1 237.322 2.058 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C/C(Cl)=C/Cl ZINC000086257463 957962001 /nfs/dbraw/zinc/96/20/01/957962001.db2.gz SLSJJZLAKURZLG-GLVSWVFDSA-N 0 1 238.114 2.100 20 0 BEADMN CCOCCNCc1ccc(OC)cc1Cl ZINC000309499379 959890369 /nfs/dbraw/zinc/89/03/69/959890369.db2.gz ZHMYVVQFCYDMNA-UHFFFAOYSA-N 0 1 243.734 2.475 20 0 BEADMN Cc1cc(CN2CCC[C@@H](F)C(F)(F)C2)n[nH]1 ZINC001203070429 960624492 /nfs/dbraw/zinc/62/44/92/960624492.db2.gz SOYLAIDSNSEJHD-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)[C@H](F)C2)n[nH]1 ZINC001203070354 960621764 /nfs/dbraw/zinc/62/17/64/960621764.db2.gz PNXRRHUOKLVYER-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Cc1cc(CN2CCC[C@H](F)C(F)(F)C2)n[nH]1 ZINC001203070428 960621867 /nfs/dbraw/zinc/62/18/67/960621867.db2.gz SOYLAIDSNSEJHD-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN CCCCc1ncc(CN2CC(C(F)F)C2)[nH]1 ZINC001141074379 960863195 /nfs/dbraw/zinc/86/31/95/960863195.db2.gz GVLDZQFWCVKHMX-UHFFFAOYSA-N 0 1 243.301 2.449 20 0 BEADMN Clc1cnc(CN[C@@H]2C[C@H]3C[C@H]3C2)nc1 ZINC001167900897 961594706 /nfs/dbraw/zinc/59/47/06/961594706.db2.gz BPHZTOBPVDDIEL-DIYOJNKTSA-N 0 1 223.707 2.018 20 0 BEADMN c1cc2c(nc1NC1CSC1)CCCC2 ZINC000712345473 962868830 /nfs/dbraw/zinc/86/88/30/962868830.db2.gz BQXCZBSAUPWFSQ-UHFFFAOYSA-N 0 1 220.341 2.488 20 0 BEADMN COCOc1ccc(NC(=N)C(C)(C)C)nc1 ZINC001155181437 963005211 /nfs/dbraw/zinc/00/52/11/963005211.db2.gz PSAWSQIBYQDCGF-UHFFFAOYSA-N 0 1 237.303 2.500 20 0 BEADMN Cc1cnc(N2C[C@@H](C)OC[C@H]2C)cc1C ZINC001155431613 963075491 /nfs/dbraw/zinc/07/54/91/963075491.db2.gz QRUZGAATJMLZFY-VXGBXAGGSA-N 0 1 220.316 2.312 20 0 BEADMN CCN(CCF)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155571922 963114903 /nfs/dbraw/zinc/11/49/03/963114903.db2.gz KSKICMFXJGANCC-NEPJUHHUSA-N 0 1 246.370 2.075 20 0 BEADMN CO[C@H](C)C[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569939 963150847 /nfs/dbraw/zinc/15/08/47/963150847.db2.gz HUEJGHOJGUIRBB-RKDXNWHRSA-N 0 1 241.287 2.006 20 0 BEADMN CN1CC[C@H](Oc2cccc(O)c2Cl)C1 ZINC001226710475 963314409 /nfs/dbraw/zinc/31/44/09/963314409.db2.gz AGJOHBBXBGWFQD-QMMMGPOBSA-N 0 1 227.691 2.129 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C)C(=O)[O-] ZINC000309085566 963323372 /nfs/dbraw/zinc/32/33/72/963323372.db2.gz GGWZDPUGNNELOQ-YFPKHOIMSA-N 0 1 225.332 2.384 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])CC(C)(C)C ZINC000309020509 963320983 /nfs/dbraw/zinc/32/09/83/963320983.db2.gz UJIDFBYYCKKFOU-JXMROGBWSA-N 0 1 213.321 2.385 20 0 BEADMN CCOc1ccnc(NCC(C)(C)OC)c1 ZINC001156438829 963345142 /nfs/dbraw/zinc/34/51/42/963345142.db2.gz GEXSOUYDBYGZFM-UHFFFAOYSA-N 0 1 224.304 2.317 20 0 BEADMN CSC[C@H]1CCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000309344268 963342552 /nfs/dbraw/zinc/34/25/52/963342552.db2.gz LTMJIMAWXCZPOC-UAWPZABVSA-N 0 1 243.372 2.092 20 0 BEADMN CCCCOC1CN([C@@H]2CCO[C@@H](C)C2)C1 ZINC001168128411 963805909 /nfs/dbraw/zinc/80/59/09/963805909.db2.gz PXTPQTLIUWJJBV-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN FC1(F)CC(N[C@H]2CCc3cccnc32)C1 ZINC000697503119 964116562 /nfs/dbraw/zinc/11/65/62/964116562.db2.gz NDVFFLZGKUCMPC-JTQLQIEISA-N 0 1 224.254 2.456 20 0 BEADMN CC(C)Oc1ccnc(N2CC=CC2)c1 ZINC001163917544 965627095 /nfs/dbraw/zinc/62/70/95/965627095.db2.gz UONXEXGFUGKUML-UHFFFAOYSA-N 0 1 204.273 2.245 20 0 BEADMN Cc1nc(Cl)nc(Cl)c1N=C1CCOC1 ZINC001203382618 966279297 /nfs/dbraw/zinc/27/92/97/966279297.db2.gz RVCYNEJKAZMUCY-UHFFFAOYSA-N 0 1 246.097 2.418 20 0 BEADMN Cc1ccc(N2CC[C@@H](O)C[C@H]2C)nc1C ZINC001166961872 966488254 /nfs/dbraw/zinc/48/82/54/966488254.db2.gz FTSRLDXRSKHOMZ-ZYHUDNBSSA-N 0 1 220.316 2.048 20 0 BEADMN CCc1cc(CN(C)C2CC(C)C2)on1 ZINC001203211769 966551972 /nfs/dbraw/zinc/55/19/72/966551972.db2.gz HUNLWHRMVFDCBT-UHFFFAOYSA-N 0 1 208.305 2.467 20 0 BEADMN CC(=O)NC1CN(CC[C@H](C)CC(C)(C)C)C1 ZINC001208664383 1165763157 /nfs/dbraw/zinc/76/31/57/1165763157.db2.gz MFAHTEXAOHSYHM-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](CCO)NCc1csc(C2CC2)n1 ZINC000164339810 1165765805 /nfs/dbraw/zinc/76/58/05/1165765805.db2.gz GBOHMRRLBULCEC-JTQLQIEISA-N 0 1 240.372 2.271 20 0 BEADMN Cc1cc(C)cc(-c2ncnc3c2CNC3)c1 ZINC000211441028 1165809433 /nfs/dbraw/zinc/80/94/33/1165809433.db2.gz CDLUTOHKMGDCHD-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOC3)oc1C ZINC001204532360 967028300 /nfs/dbraw/zinc/02/83/00/967028300.db2.gz WRZXJLRTMVWZNK-UHFFFAOYSA-N 0 1 221.300 2.119 20 0 BEADMN C[C@H]1CCN(Cc2nccs2)CC[C@]1(C)O ZINC001204544541 967038002 /nfs/dbraw/zinc/03/80/02/967038002.db2.gz DJHHZPXNQCBHLF-JQWIXIFHSA-N 0 1 240.372 2.126 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)c(C)o1 ZINC001204541471 967042760 /nfs/dbraw/zinc/04/27/60/967042760.db2.gz KOUMFKJOVGRSGY-LLVKDONJSA-N 0 1 209.289 2.117 20 0 BEADMN C[C@@H](OCCN1CCCCC1)C(F)(F)F ZINC000143843018 1165841561 /nfs/dbraw/zinc/84/15/61/1165841561.db2.gz ZACJFWRETNUMIS-SECBINFHSA-N 0 1 225.254 2.440 20 0 BEADMN Cn1ccnc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001205112173 967356906 /nfs/dbraw/zinc/35/69/06/967356906.db2.gz YJFOEWYMPRIEEI-VXGBXAGGSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CC[C@H]2CCC[C@@H]2C1 ZINC001205112173 967356916 /nfs/dbraw/zinc/35/69/16/967356916.db2.gz YJFOEWYMPRIEEI-VXGBXAGGSA-N 0 1 219.332 2.042 20 0 BEADMN CN1CCN(c2ccc(CC(F)F)cc2)CC1 ZINC001250391206 967807660 /nfs/dbraw/zinc/80/76/60/967807660.db2.gz QAFZIQCVFNYTFW-UHFFFAOYSA-N 0 1 240.297 2.246 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000250885150 967898427 /nfs/dbraw/zinc/89/84/27/967898427.db2.gz WHKXOFMZDUIABG-NEPJUHHUSA-N 0 1 225.332 2.363 20 0 BEADMN CC(C)(C)N1CCN(C(=O)c2ccccc2)CC1 ZINC000070263550 1165916140 /nfs/dbraw/zinc/91/61/40/1165916140.db2.gz UZGKWXVHZXCTLM-UHFFFAOYSA-N 0 1 246.354 2.243 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1C=CCC1 ZINC000698334885 968334514 /nfs/dbraw/zinc/33/45/14/968334514.db2.gz XEMAQVDYMAYEEH-QWRGUYRKSA-N 0 1 203.289 2.154 20 0 BEADMN CCn1ccnc1CNC[C@@H](OC)C(C)(C)C ZINC000072925494 1165980814 /nfs/dbraw/zinc/98/08/14/1165980814.db2.gz ZMFXWTXOODTTEN-LLVKDONJSA-N 0 1 239.363 2.054 20 0 BEADMN OC[C@@H](NCc1cscn1)C1CCCCC1 ZINC000072927539 1165981458 /nfs/dbraw/zinc/98/14/58/1165981458.db2.gz FOVIKGLPLCQRRA-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN Cn1ccc(-c2cc(F)c(O)cc2F)n1 ZINC001206775757 968464278 /nfs/dbraw/zinc/46/42/78/968464278.db2.gz JQISFWNHEYXZEA-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](C(F)F)C2)n1C ZINC001206794379 968476651 /nfs/dbraw/zinc/47/66/51/968476651.db2.gz PQIFUIHNFDUUKN-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN Cc1nc(CN2CC[C@@H]3OCC[C@H]3C2)cs1 ZINC001206802765 968485918 /nfs/dbraw/zinc/48/59/18/968485918.db2.gz QGBSEKGVYXZXQQ-JQWIXIFHSA-N 0 1 238.356 2.062 20 0 BEADMN CCCC[C@@H](O)CNc1cc(SC)n[nH]1 ZINC001252083361 968504122 /nfs/dbraw/zinc/50/41/22/968504122.db2.gz XBCNNKBWNBTZNO-MRVPVSSYSA-N 0 1 229.349 2.095 20 0 BEADMN CCC(C)(C)CN[C@@H](C)c1cc(CO)on1 ZINC000822611034 968528098 /nfs/dbraw/zinc/52/80/98/968528098.db2.gz VHVYEZGCBVUOHI-VIFPVBQESA-N 0 1 226.320 2.254 20 0 BEADMN CCCC[C@@H](O)CN1CCc2occc2C1 ZINC001252094025 968572841 /nfs/dbraw/zinc/57/28/41/968572841.db2.gz MAVQXMILOXNHBB-GFCCVEGCSA-N 0 1 223.316 2.189 20 0 BEADMN COc1ccnc(NCc2ccncc2)c1 ZINC000083348204 1166101333 /nfs/dbraw/zinc/10/13/33/1166101333.db2.gz JOCJMXHDGWXXSJ-UHFFFAOYSA-N 0 1 215.256 2.097 20 0 BEADMN CSC[C@H](C)NCc1nc2c(s1)CCC2 ZINC000128961878 1166129697 /nfs/dbraw/zinc/12/96/97/1166129697.db2.gz SUNKVIWHBFUQNK-QMMMGPOBSA-N 0 1 242.413 2.473 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc(Cl)c(F)c1)C(N)=O ZINC000212706478 1166147177 /nfs/dbraw/zinc/14/71/77/1166147177.db2.gz CZDFMPXFQDZFIZ-BQBZGAKWSA-N 0 1 244.697 2.004 20 0 BEADMN c1coc(CN(C[C@@H]2CCCO2)C2CC2)c1 ZINC001207887713 968912178 /nfs/dbraw/zinc/91/21/78/968912178.db2.gz QTVUKFMEYWLXKF-ZDUSSCGKSA-N 0 1 221.300 2.423 20 0 BEADMN CC(C)CC(C)(C)C(=O)NCCN1CC=CC1 ZINC001252740366 968930228 /nfs/dbraw/zinc/93/02/28/968930228.db2.gz MZORMWQBYXJPLJ-UHFFFAOYSA-N 0 1 238.375 2.047 20 0 BEADMN F[C@@H]1CSC2(CN(C[C@@H]3CCCCO3)C2)C1 ZINC001207958423 968954879 /nfs/dbraw/zinc/95/48/79/968954879.db2.gz CKXBHDWDNHUUQB-QWRGUYRKSA-N 0 1 245.363 2.085 20 0 BEADMN Cc1ccc(-c2cnc(CN)nc2)c(C)c1 ZINC000084479175 1166187572 /nfs/dbraw/zinc/18/75/72/1166187572.db2.gz ZOSOOFZUUSSIRJ-UHFFFAOYSA-N 0 1 213.284 2.219 20 0 BEADMN CS[C@H](C)CCN(C)Cc1cc(C)nn1C ZINC001208141396 969063403 /nfs/dbraw/zinc/06/34/03/969063403.db2.gz KYBPCAUZMSCUFR-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN CCCCC1(NCc2ncccn2)CC1 ZINC000934200657 1166245772 /nfs/dbraw/zinc/24/57/72/1166245772.db2.gz MAJYXWZPDSYEEA-UHFFFAOYSA-N 0 1 205.305 2.289 20 0 BEADMN C[C@H]1[C@@H](C)N(C(=O)[C@H](N)c2ccccc2)C[C@H]1C ZINC000399744095 1166253009 /nfs/dbraw/zinc/25/30/09/1166253009.db2.gz ONZIUHUXWDOQPB-HKUMRIAESA-N 0 1 246.354 2.189 20 0 BEADMN C[C@H](CCN1CCO[C@H](CO)C1)CC(C)(C)C ZINC001208652624 969182370 /nfs/dbraw/zinc/18/23/70/969182370.db2.gz CYMSHMOUVBLTLR-OLZOCXBDSA-N 0 1 243.391 2.142 20 0 BEADMN Cc1ncc2n1CCN(C[C@H](C)C(F)(F)F)C2 ZINC001208895912 969281098 /nfs/dbraw/zinc/28/10/98/969281098.db2.gz OUQOORCIQPKRLN-QMMMGPOBSA-N 0 1 247.264 2.206 20 0 BEADMN C[C@H](CN1CCc2ncncc2C1)C(F)(F)F ZINC001208892535 969279646 /nfs/dbraw/zinc/27/96/46/969279646.db2.gz DVVXAKAANKDNDS-MRVPVSSYSA-N 0 1 245.248 2.033 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000708248697 1166349166 /nfs/dbraw/zinc/34/91/66/1166349166.db2.gz AYCUAZQSVHVFKT-UTUOFQBUSA-N 0 1 239.359 2.449 20 0 BEADMN CCc1cncc(Nc2cncn2C)c1 ZINC001209180509 969370650 /nfs/dbraw/zinc/37/06/50/969370650.db2.gz BOROJVDXYVQKCX-UHFFFAOYSA-N 0 1 202.261 2.121 20 0 BEADMN CC[C@@H](NCc1n[nH]c(C)n1)c1ccc(F)cc1 ZINC000392379920 1166376994 /nfs/dbraw/zinc/37/69/94/1166376994.db2.gz JFCHTQHDHADGRY-GFCCVEGCSA-N 0 1 248.305 2.493 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000228024024 1166379750 /nfs/dbraw/zinc/37/97/50/1166379750.db2.gz HJHRIXUONNHQIY-NWDGAFQWSA-N 0 1 225.332 2.203 20 0 BEADMN CCCCCNCc1nn(C)cc1Cl ZINC000393321312 1166407314 /nfs/dbraw/zinc/40/73/14/1166407314.db2.gz GRQPCRREPXQUBJ-UHFFFAOYSA-N 0 1 215.728 2.353 20 0 BEADMN COC1CCC(CN2CCC(=O)C[C@@H]2C)CC1 ZINC001209396235 969467273 /nfs/dbraw/zinc/46/72/73/969467273.db2.gz SRPRQTNTFLOKHP-DCBWTQNWSA-N 0 1 239.359 2.245 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000250705949 1166426906 /nfs/dbraw/zinc/42/69/06/1166426906.db2.gz WHKCUVHPBNQLMV-IJLUTSLNSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H](C(F)F)C1 ZINC001209555861 969543343 /nfs/dbraw/zinc/54/33/43/969543343.db2.gz LZCXNSYNMJZDEO-SECBINFHSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CNc2ccc(Cl)cn2)n[nH]1 ZINC000309054534 1166471239 /nfs/dbraw/zinc/47/12/39/1166471239.db2.gz SWBPWDYVDMDIHR-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(F)nc1 ZINC001209967744 969736187 /nfs/dbraw/zinc/73/61/87/969736187.db2.gz NDZUGVJEKWTNDT-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN Cn1c(CNCCC(F)F)nc2ccccc21 ZINC000393837527 1166538455 /nfs/dbraw/zinc/53/84/55/1166538455.db2.gz RKLGEWUMLLIAKL-UHFFFAOYSA-N 0 1 239.269 2.318 20 0 BEADMN CCc1nocc1CNC/C=C\C1CC1 ZINC000378669277 1166551202 /nfs/dbraw/zinc/55/12/02/1166551202.db2.gz CEXDJMDOXWMRNV-ARJAWSKDSA-N 0 1 206.289 2.293 20 0 BEADMN CCCCOC1CN(C2CCSCC2)C1 ZINC001255092615 969928271 /nfs/dbraw/zinc/92/82/71/969928271.db2.gz DOQUYWFPFLRMCQ-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN Cc1nccnc1[C@H](C)NC/C=C\C1CC1 ZINC000378850817 1166565637 /nfs/dbraw/zinc/56/56/37/1166565637.db2.gz FFIPVQGYYZROEU-XOULXFPDSA-N 0 1 217.316 2.402 20 0 BEADMN CCC[C@H](O)CNc1ncc(C)cc1C ZINC000394848681 1166636320 /nfs/dbraw/zinc/63/63/20/1166636320.db2.gz DNRKRDUVUWWICB-NSHDSACASA-N 0 1 208.305 2.271 20 0 BEADMN CC(C)OC(=O)CN1CCCC[C@@H]1C(C)C ZINC000395938707 1166641733 /nfs/dbraw/zinc/64/17/33/1166641733.db2.gz USDWYIUIZBMJMI-GFCCVEGCSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCn2nncc2C1 ZINC001170087542 970214643 /nfs/dbraw/zinc/21/46/43/970214643.db2.gz HZVIOOVGXIJMDJ-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CN1CCC[C@H](N2CCC[C@H]2C(F)(F)F)C1 ZINC001255480113 970217356 /nfs/dbraw/zinc/21/73/56/970217356.db2.gz AVIQXHKPTPRFIZ-UWVGGRQHSA-N 0 1 236.281 2.107 20 0 BEADMN C[C@H]1CC[C@@H](N2CC(N3CCC(F)(F)C3)C2)C1 ZINC001170151204 970459010 /nfs/dbraw/zinc/45/90/10/970459010.db2.gz FTKRSAICZHHXNC-WDEREUQCSA-N 0 1 244.329 2.200 20 0 BEADMN Cc1cc(CNC[C@H](C)c2ccccn2)no1 ZINC000692881845 1166791822 /nfs/dbraw/zinc/79/18/22/1166791822.db2.gz AURPBDPOMIDIHY-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN C[C@@H](CN(C)c1nccnc1CN)C(C)(C)C ZINC000399462284 1166823446 /nfs/dbraw/zinc/82/34/46/1166823446.db2.gz VROSIRZPTGFGHR-JTQLQIEISA-N 0 1 236.363 2.054 20 0 BEADMN Cc1cc(CN[C@@H](C)CC(F)(F)F)[nH]n1 ZINC000380227802 1166845237 /nfs/dbraw/zinc/84/52/37/1166845237.db2.gz KQUUZZULVDQUMN-ZETCQYMHSA-N 0 1 221.226 2.149 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(=O)[O-] ZINC000401441326 970691853 /nfs/dbraw/zinc/69/18/53/970691853.db2.gz LTQXJXASYCNMQY-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](F)CN(C)C[C@@H](C)NC(=O)CC(C)C ZINC001268719633 1166982165 /nfs/dbraw/zinc/98/21/65/1166982165.db2.gz MAWYLMGFSMPXIL-VXGBXAGGSA-N 0 1 246.370 2.217 20 0 BEADMN CCSC[C@H](C)N1CCCC[C@H]1C(=O)OC ZINC001173301595 975201400 /nfs/dbraw/zinc/20/14/00/975201400.db2.gz XAOUTMWFRZCNNE-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@H](NCc2csnn2)C1 ZINC000398238410 1167046827 /nfs/dbraw/zinc/04/68/27/1167046827.db2.gz AIDMTXCSYDXDDJ-WCABBAIRSA-N 0 1 225.361 2.452 20 0 BEADMN CCSC[C@H](C)N(C)Cc1ccncn1 ZINC001173306974 975215811 /nfs/dbraw/zinc/21/58/11/975215811.db2.gz AOWWIMFLBRFBQJ-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN CCSC[C@@H](C)NC1(c2cccnn2)CC1 ZINC001173286874 975247516 /nfs/dbraw/zinc/24/75/16/975247516.db2.gz DDTWMCJFCWOPQS-SNVBAGLBSA-N 0 1 237.372 2.197 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCn3cncc3C2)C1 ZINC001173286027 975248575 /nfs/dbraw/zinc/24/85/75/975248575.db2.gz CJSGNLUGJDWVGS-NEPJUHHUSA-N 0 1 219.332 2.277 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000894611973 1167075304 /nfs/dbraw/zinc/07/53/04/1167075304.db2.gz BLKDHJNPFJJPCX-RISCZKNCSA-N 0 1 247.338 2.231 20 0 BEADMN Cc1[nH]c(=O)nc(O[C@H]2C=CCC2)c1Cl ZINC001227111590 975281190 /nfs/dbraw/zinc/28/11/90/975281190.db2.gz NZUWGJQTUAOHHZ-ZETCQYMHSA-N 0 1 226.663 2.241 20 0 BEADMN CC[C@H](C)[C@@H](C[N@@H+](C)C(C)(C)CC(=O)[O-])OC ZINC001333135903 975478058 /nfs/dbraw/zinc/47/80/58/975478058.db2.gz GAOLIXQRWXALFI-WDEREUQCSA-N 0 1 245.363 2.233 20 0 BEADMN Cc1ccc2nc(CCCO)[nH]c2c1C ZINC000308783667 1167197850 /nfs/dbraw/zinc/19/78/50/1167197850.db2.gz WDNTWMPFASEKBQ-UHFFFAOYSA-N 0 1 204.273 2.105 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCCC[C@@H]1F ZINC001227602318 975573860 /nfs/dbraw/zinc/57/38/60/975573860.db2.gz SGOMIOVLXBPEGK-YUMQZZPRSA-N 0 1 243.307 2.128 20 0 BEADMN Clc1ccc(Nc2ccncc2)cn1 ZINC001173879197 975910681 /nfs/dbraw/zinc/91/06/81/975910681.db2.gz KNSIXPXMCSSPTN-UHFFFAOYSA-N 0 1 205.648 2.296 20 0 BEADMN CC[C@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480100 976243392 /nfs/dbraw/zinc/24/33/92/976243392.db2.gz IDULSVNRVWDKHC-YFKPBYRVSA-N 0 1 202.641 2.013 20 0 BEADMN CN1CC[C@H](Oc2ccnc(Cl)c2Cl)C1 ZINC001228574545 976341717 /nfs/dbraw/zinc/34/17/17/976341717.db2.gz JPIIDUOKJQYGSY-ZETCQYMHSA-N 0 1 247.125 2.471 20 0 BEADMN Oc1ccc(CN2CC=CCC2)cc1F ZINC001334985286 976816578 /nfs/dbraw/zinc/81/65/78/976816578.db2.gz QONRGAJXVOPKHZ-UHFFFAOYSA-N 0 1 207.248 2.293 20 0 BEADMN CC[NH+]1CC(Oc2ccc([S-])cc2C)C1 ZINC001229634987 976922320 /nfs/dbraw/zinc/92/23/20/976922320.db2.gz PUIFMAQWVZOAAJ-UHFFFAOYSA-N 0 1 223.341 2.367 20 0 BEADMN COc1c(F)ccc(F)c1O[C@@H]1CCN(C)C1 ZINC001229655836 976931292 /nfs/dbraw/zinc/93/12/92/976931292.db2.gz SELGMBVARMLSAJ-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN C[C@H]1CC[C@@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC000721535165 977087152 /nfs/dbraw/zinc/08/71/52/977087152.db2.gz YMZKYODBSUEFOT-NKWVEPMBSA-N 0 1 228.679 2.403 20 0 BEADMN COC(=O)CN(CCCC(F)(F)F)C(C)C ZINC000149052954 1167442684 /nfs/dbraw/zinc/44/26/84/1167442684.db2.gz SSMAVVAIKCFLAA-UHFFFAOYSA-N 0 1 241.253 2.212 20 0 BEADMN Cc1nnc(CN[C@H]2CCC[C@H](C)C2)o1 ZINC000228318064 1167446319 /nfs/dbraw/zinc/44/63/19/1167446319.db2.gz VRLVCTRDQQFJCP-WPRPVWTQSA-N 0 1 209.293 2.046 20 0 BEADMN C[C@@H]1CC[C@H](n2ccnc2CN)C[C@H]1C ZINC000251917764 1167465035 /nfs/dbraw/zinc/46/50/35/1167465035.db2.gz ULKQFWIEBKLCLI-MXWKQRLJSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCOC(C)(C)C ZINC001594220219 977560743 /nfs/dbraw/zinc/56/07/43/977560743.db2.gz RIXRDVPUJLHXLR-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN Cc1noc([C@H](N[C@@H]2CC[C@@H]2C)C(C)C)n1 ZINC000381285709 1167538698 /nfs/dbraw/zinc/53/86/98/1167538698.db2.gz ZNWLQDCFAALWKV-JMJZKYOTSA-N 0 1 223.320 2.463 20 0 BEADMN C[C@@]1(O)CCN(Cc2ccc(Cl)c(O)c2)C1 ZINC001231730750 977714016 /nfs/dbraw/zinc/71/40/16/977714016.db2.gz FUQJRXDDMGGEAN-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN COc1ncc(F)cc1CN(C)CC1CCC1 ZINC001231743253 977728911 /nfs/dbraw/zinc/72/89/11/977728911.db2.gz DYSZFJBJBHLLDB-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CN(Cc1ccnc(C(F)F)c1)[C@@H]1CCOC1 ZINC001231889992 977785407 /nfs/dbraw/zinc/78/54/07/977785407.db2.gz RCFJGGMRPIPNIP-SNVBAGLBSA-N 0 1 242.269 2.240 20 0 BEADMN C[C@@H]1CCN1Cc1cc2ccncc2[nH]1 ZINC001232089953 977889575 /nfs/dbraw/zinc/88/95/75/977889575.db2.gz HUVAKIFPFBRHNQ-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN CCN(Cc1ncsc1C)CC(C)(C)O ZINC001232212014 977939466 /nfs/dbraw/zinc/93/94/66/977939466.db2.gz LUKCYILDWHQUDW-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN FC1(F)C[C@@]12CCN(Cc1cnsc1)C2 ZINC001232227220 977960137 /nfs/dbraw/zinc/96/01/37/977960137.db2.gz JENYEBYHAWJEPR-SECBINFHSA-N 0 1 230.283 2.374 20 0 BEADMN CN(C)Cc1ccnc(C(F)(F)F)c1 ZINC001232235783 977971169 /nfs/dbraw/zinc/97/11/69/977971169.db2.gz VPGWNSNLVXPQBT-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN Cc1nnc(CN[C@@H]2CC=CCC2)s1 ZINC000698256451 1167641578 /nfs/dbraw/zinc/64/15/78/1167641578.db2.gz UPISKVOXHUUENG-SECBINFHSA-N 0 1 209.318 2.045 20 0 BEADMN CC(C)N(C)Cc1cn2cc(F)ccc2n1 ZINC001232408920 978053435 /nfs/dbraw/zinc/05/34/35/978053435.db2.gz ARJYCUYKVKYHSV-UHFFFAOYSA-N 0 1 221.279 2.314 20 0 BEADMN C[C@@H](CC1CCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000229757178 1167685933 /nfs/dbraw/zinc/68/59/33/1167685933.db2.gz IYSNQIGHCYGWQK-GXSJLCMTSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1cc2ccoc2cn1 ZINC001232550330 978177212 /nfs/dbraw/zinc/17/72/12/978177212.db2.gz UCNNTVHEMCXSHA-SECBINFHSA-N 0 1 202.257 2.422 20 0 BEADMN C[C@@H]1CCN1Cc1cc2ccoc2cn1 ZINC001232550330 978177219 /nfs/dbraw/zinc/17/72/19/978177219.db2.gz UCNNTVHEMCXSHA-SECBINFHSA-N 0 1 202.257 2.422 20 0 BEADMN CCOC1CN([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168425129 1167698699 /nfs/dbraw/zinc/69/86/99/1167698699.db2.gz CGIFVOAFBBBFQY-CQSZACIVSA-N 0 1 249.329 2.404 20 0 BEADMN COC(=O)/C(C)=C\Cn1c(C)nc2c1CCCC2 ZINC000216819426 1167731635 /nfs/dbraw/zinc/73/16/35/1167731635.db2.gz HNJHEAXKKSYYOT-NTMALXAHSA-N 0 1 248.326 2.190 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(F)cnc2C)C1 ZINC001232986625 978391016 /nfs/dbraw/zinc/39/10/16/978391016.db2.gz LECLMBUPHVULLS-CYBMUJFWSA-N 0 1 238.306 2.140 20 0 BEADMN CCCCOC1CCN(CCF)CC1 ZINC001205138772 1167781542 /nfs/dbraw/zinc/78/15/42/1167781542.db2.gz FQAFNANOKWSFJX-UHFFFAOYSA-N 0 1 203.301 2.237 20 0 BEADMN CC(C)N(C)Cc1ccc(N(C)C)nc1F ZINC001233112955 978467662 /nfs/dbraw/zinc/46/76/62/978467662.db2.gz JKYSWHSNDSUPGY-UHFFFAOYSA-N 0 1 225.311 2.127 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)N(C)C1(C)COC1 ZINC001168497353 1167790159 /nfs/dbraw/zinc/79/01/59/1167790159.db2.gz NRKAIQJPNURAKO-NSHDSACASA-N 0 1 237.318 2.477 20 0 BEADMN COCCOC1CN([C@H](C)CCC(C)C)C1 ZINC000459478089 1167815616 /nfs/dbraw/zinc/81/56/16/1167815616.db2.gz ZDHDQFBCTFJXJX-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN Cc1ccc(Cl)cc1CN1CCN(C)CC1 ZINC001233247603 978509183 /nfs/dbraw/zinc/50/91/83/978509183.db2.gz CVNPQINKPZLXRS-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN C[C@]1(CO)CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258992 978516666 /nfs/dbraw/zinc/51/66/66/978516666.db2.gz CBWGIUIJJVVGOL-ZDUSSCGKSA-N 0 1 237.368 2.180 20 0 BEADMN Cc1cc(CN[C@@H](CO)CCC(C)(C)C)on1 ZINC001178571388 978600298 /nfs/dbraw/zinc/60/02/98/978600298.db2.gz QFVRLWVSFJYJLI-LLVKDONJSA-N 0 1 240.347 2.260 20 0 BEADMN C=C(F)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC001180116427 978823074 /nfs/dbraw/zinc/82/30/74/978823074.db2.gz UIYOSPDVLJMXCR-UHFFFAOYSA-N 0 1 219.219 2.293 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)CC(F)(F)F)[nH]1 ZINC001339757052 978906427 /nfs/dbraw/zinc/90/64/27/978906427.db2.gz CFKXJLBIKKVIOD-UHFFFAOYSA-N 0 1 249.236 2.167 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)C[C@H]2C)[nH]1 ZINC001339780804 978912304 /nfs/dbraw/zinc/91/23/04/978912304.db2.gz WFVPVKWHSWJPDY-NXEZZACHSA-N 0 1 235.331 2.404 20 0 BEADMN CCc1cccc(CN2CC([C@H](C)OC)C2)n1 ZINC001235267373 979014705 /nfs/dbraw/zinc/01/47/05/979014705.db2.gz RHFKHJNGBPXUMI-NSHDSACASA-N 0 1 234.343 2.111 20 0 BEADMN COc1cc(CN(C)CCC2CC2)c(F)cn1 ZINC001235322564 979022358 /nfs/dbraw/zinc/02/23/58/979022358.db2.gz ISECGAMHQNWNFI-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(F)nc2C)C1 ZINC001235820191 979158303 /nfs/dbraw/zinc/15/83/03/979158303.db2.gz LCWOITLOKHXPKY-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CC[C@](C)(N)c1nc(-c2ccccc2)no1 ZINC000086798051 1168283005 /nfs/dbraw/zinc/28/30/05/1168283005.db2.gz CTVWXTWVFWJKJX-LBPRGKRZSA-N 0 1 217.272 2.321 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC001182829581 979651626 /nfs/dbraw/zinc/65/16/26/979651626.db2.gz CQWRFIBKSDLJRU-AVGNSLFASA-N 0 1 238.375 2.259 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCN1C(C)C ZINC001182830225 979655815 /nfs/dbraw/zinc/65/58/15/979655815.db2.gz OJZYUQYGDKSDOZ-LBPRGKRZSA-N 0 1 226.364 2.022 20 0 BEADMN CCc1cc(=O)n(-c2ccccc2OC)[nH]1 ZINC000116605133 1168309580 /nfs/dbraw/zinc/30/95/80/1168309580.db2.gz BRVHZMXOYNDGSX-UHFFFAOYSA-N 0 1 218.256 2.149 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccncc2)[nH]1 ZINC000116603984 1168309027 /nfs/dbraw/zinc/30/90/27/1168309027.db2.gz FYKXZWFIOHYTKN-UHFFFAOYSA-N 0 1 203.245 2.096 20 0 BEADMN COC(=O)c1cc(F)cc(CN2CCCC2)c1 ZINC001236774373 979721249 /nfs/dbraw/zinc/72/12/49/979721249.db2.gz RQYLEMFLPYMNGQ-UHFFFAOYSA-N 0 1 237.274 2.208 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001604959714 979783366 /nfs/dbraw/zinc/78/33/66/979783366.db2.gz IOKLJYNJFGXYSD-VIFPVBQESA-N 0 1 238.331 2.262 20 0 BEADMN CC[C@@H](NCc1n[nH]c(C)c1C)C(F)(F)F ZINC000716454930 979795111 /nfs/dbraw/zinc/79/51/11/979795111.db2.gz FPGDKRXIBIQNIR-SECBINFHSA-N 0 1 235.253 2.457 20 0 BEADMN Cc1c(CN2CCC[C@H](O)C2)ccc(F)c1F ZINC001237154438 979821986 /nfs/dbraw/zinc/82/19/86/979821986.db2.gz OEEHGBVKRWLIMP-NSHDSACASA-N 0 1 241.281 2.230 20 0 BEADMN Cc1c(CN2C[C@H](C)[C@H](O)C2)ccc(F)c1F ZINC001237153628 979822321 /nfs/dbraw/zinc/82/23/21/979822321.db2.gz KOKJRESWCSHHJT-QPUJVOFHSA-N 0 1 241.281 2.086 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2occc2[S-])[C@H]1CO ZINC001237179059 979829991 /nfs/dbraw/zinc/82/99/91/979829991.db2.gz CARRLKPKEKZSJJ-ZJUUUORDSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2occc2[S-])[C@H]1CO ZINC001237179059 979829997 /nfs/dbraw/zinc/82/99/97/979829997.db2.gz CARRLKPKEKZSJJ-ZJUUUORDSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@@H]1CN(CC2OC=CC2=S)C[C@@H](C)O1 ZINC001237183666 979833243 /nfs/dbraw/zinc/83/32/43/979833243.db2.gz UAHWCXKHRYDDSB-RKDXNWHRSA-N 0 1 227.329 2.178 20 0 BEADMN CC[C@@H]1COCCN1CC1OC=CC1=S ZINC001237183892 979835394 /nfs/dbraw/zinc/83/53/94/979835394.db2.gz LZMCCKNXSRRYIF-SECBINFHSA-N 0 1 227.329 2.179 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C2CC2)C[C@H]1C ZINC001183745031 979880648 /nfs/dbraw/zinc/88/06/48/979880648.db2.gz IUQVSMAGLFGEQL-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC[C@@H]1C ZINC001237403725 979887026 /nfs/dbraw/zinc/88/70/26/979887026.db2.gz IDFMLEOTWLNRDP-JTQLQIEISA-N 0 1 218.300 2.239 20 0 BEADMN CCc1[nH]ncc1CN1CCC(F)(F)[C@H](F)C1 ZINC001237652341 980017253 /nfs/dbraw/zinc/01/72/53/980017253.db2.gz SCPYLDXYKUMVIT-SNVBAGLBSA-N 0 1 247.264 2.151 20 0 BEADMN COC(=O)c1c[nH]c(O[C@H](C)C2CCCC2)n1 ZINC001230282458 1168437385 /nfs/dbraw/zinc/43/73/85/1168437385.db2.gz VTSZEYZQGZKQPN-MRVPVSSYSA-N 0 1 238.287 2.154 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(C(F)F)c1 ZINC001238861610 980351147 /nfs/dbraw/zinc/35/11/47/980351147.db2.gz RXWJRTLZGXYQCX-UHFFFAOYSA-N 0 1 224.214 2.231 20 0 BEADMN Fc1cc(CCN2CCCCC2)cc(F)n1 ZINC001250241810 980373955 /nfs/dbraw/zinc/37/39/55/980373955.db2.gz JHMXMBLADNNJAI-UHFFFAOYSA-N 0 1 226.270 2.388 20 0 BEADMN O=C(NC1(CC2CC2)CC1)c1n[nH]cc1Cl ZINC001187851495 980561102 /nfs/dbraw/zinc/56/11/02/980561102.db2.gz LRCKJUGGZZYDKQ-UHFFFAOYSA-N 0 1 239.706 2.126 20 0 BEADMN C/C=C(\C)COC(=O)[C@@H]1CCCN1C(C)C ZINC001345195338 980579724 /nfs/dbraw/zinc/57/97/24/980579724.db2.gz ZFUGQHKQPIUJRF-JVOXIWMLSA-N 0 1 225.332 2.369 20 0 BEADMN CN(C)Cc1cc(C2=CCOC2)ccc1F ZINC001239493813 980652043 /nfs/dbraw/zinc/65/20/43/980652043.db2.gz DVCACTVHXIWRCH-UHFFFAOYSA-N 0 1 221.275 2.301 20 0 BEADMN CC(C)[C@H](C)C(=O)N(C)CCC[N@@H+](C)CCF ZINC001273565242 980676388 /nfs/dbraw/zinc/67/63/88/980676388.db2.gz CGCIUCQGSAGZLK-LBPRGKRZSA-N 0 1 246.370 2.028 20 0 BEADMN CC(C)[C@H](C)C(=O)N(C)CCCN(C)CCF ZINC001273565242 980676392 /nfs/dbraw/zinc/67/63/92/980676392.db2.gz CGCIUCQGSAGZLK-LBPRGKRZSA-N 0 1 246.370 2.028 20 0 BEADMN Cc1csc(NC(=O)c2ccncc2O)c1 ZINC001188628779 980684797 /nfs/dbraw/zinc/68/47/97/980684797.db2.gz LQVOXFXLXVYCEQ-UHFFFAOYSA-N 0 1 234.280 2.409 20 0 BEADMN CCCCOC1CN([C@H]2CCO[C@H](CC)C2)C1 ZINC001170222609 1168526612 /nfs/dbraw/zinc/52/66/12/1168526612.db2.gz ODNYCRQDZGZKGJ-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN COCCCc1ccc2nc(C)[nH]c2c1 ZINC001250302976 980716332 /nfs/dbraw/zinc/71/63/32/980716332.db2.gz OMWRGVQFODAAPA-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN CC(C)C1CN(Cc2cccnc2N(C)C)C1 ZINC001347178522 981003615 /nfs/dbraw/zinc/00/36/15/981003615.db2.gz IEXLRYDJSMORAG-UHFFFAOYSA-N 0 1 233.359 2.235 20 0 BEADMN CCC1(CC)CCN(c2nc(C)cc(N)n2)C1 ZINC001347834538 981188491 /nfs/dbraw/zinc/18/84/91/981188491.db2.gz XYUSIPSPIVEYJB-UHFFFAOYSA-N 0 1 234.347 2.384 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)NCc1ncccn1 ZINC001172313924 1168679481 /nfs/dbraw/zinc/67/94/81/1168679481.db2.gz DHCTVJDYSZBUNL-VXGBXAGGSA-N 0 1 237.347 2.160 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001595579401 981507103 /nfs/dbraw/zinc/50/71/03/981507103.db2.gz UNQQIEQYSYZQGO-VIFPVBQESA-N 0 1 224.304 2.333 20 0 BEADMN CC(C)CC(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC000065006403 1168688229 /nfs/dbraw/zinc/68/82/29/1168688229.db2.gz NRYPURHTQHNCNH-UHFFFAOYSA-N 0 1 247.298 2.040 20 0 BEADMN CCCOC(=O)N1CCN(C)CC12CCCC2 ZINC001194116851 981557993 /nfs/dbraw/zinc/55/79/93/981557993.db2.gz CPJGXGXRNBLKSD-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN Cc1ncc(NC2=CCCCC2)c(=O)[nH]1 ZINC001175751655 1168697475 /nfs/dbraw/zinc/69/74/75/1168697475.db2.gz LCBWOQSPDJIYCT-UHFFFAOYSA-N 0 1 205.261 2.360 20 0 BEADMN COC(=O)c1cscc1Nc1ncc[nH]1 ZINC001176079939 1168702710 /nfs/dbraw/zinc/70/27/10/1168702710.db2.gz MQFLPKNFRFOGNJ-UHFFFAOYSA-N 0 1 223.257 2.001 20 0 BEADMN Clc1cncc(Cl)c1Nc1ncc[nH]1 ZINC001176079867 1168703127 /nfs/dbraw/zinc/70/31/27/1168703127.db2.gz PGRFPHMWHYUYDZ-UHFFFAOYSA-N 0 1 229.070 2.277 20 0 BEADMN C[C@H]1CC(N(C)Cc2ccon2)C[C@H](C)O1 ZINC000339002686 1168713325 /nfs/dbraw/zinc/71/33/25/1168713325.db2.gz CBWQZCAQBNJOLS-UWVGGRQHSA-N 0 1 224.304 2.062 20 0 BEADMN Cc1[nH]nc(CNC(=O)C2=C(C)CCC2)c1C ZINC001350389471 981959961 /nfs/dbraw/zinc/95/99/61/981959961.db2.gz UFTWLZGTIBCNKH-UHFFFAOYSA-N 0 1 233.315 2.143 20 0 BEADMN COC(C)(C)Cc1cnc(N(C)C)cc1C ZINC001250352699 1168775943 /nfs/dbraw/zinc/77/59/43/1168775943.db2.gz UCBRWIDBSWYPFD-UHFFFAOYSA-N 0 1 222.332 2.424 20 0 BEADMN CC[C@@H]1CCN(Cc2csnc2OC)C1 ZINC001191558700 1168782149 /nfs/dbraw/zinc/78/21/49/1168782149.db2.gz HQVUMZOEYAKBQJ-SECBINFHSA-N 0 1 226.345 2.384 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC001589445111 982798711 /nfs/dbraw/zinc/79/87/11/982798711.db2.gz KMNCMFXTQLVIBW-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@@H](O)CNc1ccc2[nH]nc(C)c2c1 ZINC001252791822 1168913237 /nfs/dbraw/zinc/91/32/37/1168913237.db2.gz YNUZAWWBRUOKFS-LLVKDONJSA-N 0 1 233.315 2.444 20 0 BEADMN c1cc(CN2CCC[C@@H]2Cc2ccccn2)n[nH]1 ZINC001137129836 1168929335 /nfs/dbraw/zinc/92/93/35/1168929335.db2.gz HCSPEBHCPYJOAP-CQSZACIVSA-N 0 1 242.326 2.012 20 0 BEADMN COc1cccc(C#N)c1O[C@H]1CCCN(C)C1 ZINC000258326092 1168955026 /nfs/dbraw/zinc/95/50/26/1168955026.db2.gz LOTDDNMQUDJZHK-LBPRGKRZSA-N 0 1 246.310 2.040 20 0 BEADMN Fc1cccc(Cl)c1CNCc1cnc[nH]1 ZINC000082394806 983059491 /nfs/dbraw/zinc/05/94/91/983059491.db2.gz QARYVMRGRDIGHQ-UHFFFAOYSA-N 0 1 239.681 2.492 20 0 BEADMN O=C(Nc1ccsc1)c1ccncc1O ZINC000161359138 983089174 /nfs/dbraw/zinc/08/91/74/983089174.db2.gz OLOQNIGYNSQXMF-UHFFFAOYSA-N 0 1 220.253 2.101 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)OC(C)C ZINC000043447009 1169087892 /nfs/dbraw/zinc/08/78/92/1169087892.db2.gz NIWZWPFNULYUJT-JTQLQIEISA-N 0 1 201.310 2.058 20 0 BEADMN CC/C=C/CCOC(=O)c1[nH]cnc1C ZINC001357178540 983671869 /nfs/dbraw/zinc/67/18/69/983671869.db2.gz GHHLJHOZLYDEJO-SNAWJCMRSA-N 0 1 208.261 2.231 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccs1 ZINC000042163746 1169113768 /nfs/dbraw/zinc/11/37/68/1169113768.db2.gz RNXJGUPFUXEVBS-SECBINFHSA-N 0 1 225.313 2.187 20 0 BEADMN O=C(CN[C@@H]1CCCSC1)c1ccccc1 ZINC001257657314 1169119142 /nfs/dbraw/zinc/11/91/42/1169119142.db2.gz ABRNZQOGSZLHDZ-GFCCVEGCSA-N 0 1 235.352 2.355 20 0 BEADMN CCCc1ccc(N2CCN(C)CC2)cc1 ZINC000149537434 983948064 /nfs/dbraw/zinc/94/80/64/983948064.db2.gz NNTASBUDZOQNBB-UHFFFAOYSA-N 0 1 218.344 2.391 20 0 BEADMN CN(CCCC1CC1)[C@H]1CC(C)(C)OC1=O ZINC000878646495 983966342 /nfs/dbraw/zinc/96/63/42/983966342.db2.gz YWINSFQJNPFGRK-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN Cc1csc(CN2C[C@H](F)C[C@H](CO)C2)c1 ZINC001137153536 983991292 /nfs/dbraw/zinc/99/12/92/983991292.db2.gz YJULXJXKRVIVHI-WDEREUQCSA-N 0 1 243.347 2.209 20 0 BEADMN C1CC12C[C@@H]2c1nc([C@@H]2CN3CCC2CC3)no1 ZINC000351340887 1169207428 /nfs/dbraw/zinc/20/74/28/1169207428.db2.gz VHRMHDAFXRMWNJ-GHMZBOCLSA-N 0 1 245.326 2.146 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000309163687 950666876 /nfs/dbraw/zinc/66/68/76/950666876.db2.gz PXIHWWMNXAMQMU-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN C[C@@H](N(C)Cc1cccnc1Cl)C(C)(C)O ZINC000394929870 1169257281 /nfs/dbraw/zinc/25/72/81/1169257281.db2.gz VHEZHRNXQKXVBO-SECBINFHSA-N 0 1 242.750 2.326 20 0 BEADMN CC[C@H](C)c1ccc(N2CCN(C)CC2)nc1 ZINC000203780357 1169263479 /nfs/dbraw/zinc/26/34/79/1169263479.db2.gz DJIWIZSRRIXCFE-LBPRGKRZSA-N 0 1 233.359 2.347 20 0 BEADMN CCN1C[C@@H](C)N([C@H](C)CCC(C)C)CC1=O ZINC001256370667 1169284546 /nfs/dbraw/zinc/28/45/46/1169284546.db2.gz BVSQXKGKJDBIPE-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)C[C@H]1C ZINC001172443606 974805890 /nfs/dbraw/zinc/80/58/90/974805890.db2.gz OHDGZBIAYBUEFL-VXGBXAGGSA-N 0 1 227.348 2.243 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@@H](C)C2)n1 ZINC001226157016 974811001 /nfs/dbraw/zinc/81/10/01/974811001.db2.gz UTMUYUCDVCMFDZ-VXNVDRBHSA-N 0 1 208.261 2.058 20 0 BEADMN CC(C)COCC[C@H](C)NCc1cocn1 ZINC001172458612 974823022 /nfs/dbraw/zinc/82/30/22/974823022.db2.gz AMLLZJWPVHWIFL-NSHDSACASA-N 0 1 226.320 2.215 20 0 BEADMN CC(C)COCC[C@@H](C)NCc1cocn1 ZINC001172458609 974824640 /nfs/dbraw/zinc/82/46/40/974824640.db2.gz AMLLZJWPVHWIFL-LLVKDONJSA-N 0 1 226.320 2.215 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC[C@@H]1C[C@H]1C1CC1 ZINC001123234161 1169336682 /nfs/dbraw/zinc/33/66/82/1169336682.db2.gz RLAURUOZKMBQGL-MNOVXSKESA-N 0 1 234.299 2.311 20 0 BEADMN COc1ccc(O)cc1-c1cc(N)ccn1 ZINC001222603999 972603167 /nfs/dbraw/zinc/60/31/67/972603167.db2.gz PIUQVFZCFUQKHQ-UHFFFAOYSA-N 0 1 216.240 2.045 20 0 BEADMN Cc1cc(CN2CC3(COC3)C2)c(C)s1 ZINC001138567393 1169360943 /nfs/dbraw/zinc/36/09/43/1169360943.db2.gz FVQXINONFRYPKT-UHFFFAOYSA-N 0 1 223.341 2.197 20 0 BEADMN Cc1nc(CN2C[C@H]3[C@H](CF)[C@H]3C2)sc1C ZINC001144378238 972786059 /nfs/dbraw/zinc/78/60/59/972786059.db2.gz ALOHVFONCKECPR-RTCCRHLQSA-N 0 1 240.347 2.407 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140506409 1169371656 /nfs/dbraw/zinc/37/16/56/1169371656.db2.gz JINUHHLWLCFPDW-GMXVVIOVSA-N 0 1 249.285 2.317 20 0 BEADMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nn[nH]n1 ZINC001223027718 972812115 /nfs/dbraw/zinc/81/21/15/972812115.db2.gz RTPOQGUFZLPIGG-MXWKQRLJSA-N 0 1 238.335 2.177 20 0 BEADMN FCCN1CCC(OCc2cncs2)CC1 ZINC001223275862 972910423 /nfs/dbraw/zinc/91/04/23/972910423.db2.gz FHGFHQRYRFTZBC-UHFFFAOYSA-N 0 1 244.335 2.094 20 0 BEADMN CC(C)Oc1cc(-n2cncc2N)ccc1F ZINC001215498157 970767113 /nfs/dbraw/zinc/76/71/13/970767113.db2.gz JHEMJVAWXPLGMF-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN Fc1cc(Nc2ccon2)cc2n[nH]cc21 ZINC001215551870 970780517 /nfs/dbraw/zinc/78/05/17/970780517.db2.gz AQNZDARZHDAWGV-UHFFFAOYSA-N 0 1 218.191 2.434 20 0 BEADMN c1nnc(CSC2=Nc3ccccc3C2)[nH]1 ZINC001165671706 1169458248 /nfs/dbraw/zinc/45/82/48/1169458248.db2.gz GDTXWOLFPUQXCF-UHFFFAOYSA-N 0 1 230.296 2.324 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H]1CC=CCC1 ZINC000402401401 970799458 /nfs/dbraw/zinc/79/94/58/970799458.db2.gz PGFSHNZCSUSTCJ-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN COC(C)(CNc1ncc(C)c2cc[nH]c21)OC ZINC001170433420 970809554 /nfs/dbraw/zinc/80/95/54/970809554.db2.gz CAJJFNUSBRZAQH-UHFFFAOYSA-N 0 1 249.314 2.292 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCC[C@H](F)C1 ZINC001256414876 970822471 /nfs/dbraw/zinc/82/24/71/970822471.db2.gz ININRQNLXZKCMU-RYUDHWBXSA-N 0 1 222.307 2.447 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1ncnc2c1CCNC2 ZINC001157879398 970868823 /nfs/dbraw/zinc/86/88/23/970868823.db2.gz GKMWVDIHWCZAOJ-WDEREUQCSA-N 0 1 248.374 2.359 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1ncc2c(n1)CNC2 ZINC001157879694 970869405 /nfs/dbraw/zinc/86/94/05/970869405.db2.gz GYECZFPXUAZQJR-ZJUUUORDSA-N 0 1 234.347 2.316 20 0 BEADMN CCCC(CCC)OCCN1CCN(C)CC1 ZINC001224552253 973766659 /nfs/dbraw/zinc/76/66/59/973766659.db2.gz NUCQSDACNZLWLY-UHFFFAOYSA-N 0 1 242.407 2.219 20 0 BEADMN COc1c(C)cc(C)cc1Nc1nonc1N ZINC001215996800 970893286 /nfs/dbraw/zinc/89/32/86/970893286.db2.gz QLNOUKMCXAIJPG-UHFFFAOYSA-N 0 1 234.259 2.021 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403206704 970894372 /nfs/dbraw/zinc/89/43/72/970894372.db2.gz HEGIUSANSOADGP-FRRDWIJNSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1ncn(-c2ccc(Cl)c3c[nH]nc32)c1N ZINC001216055956 970918355 /nfs/dbraw/zinc/91/83/55/970918355.db2.gz UKGUFFHPKLWUOT-UHFFFAOYSA-N 0 1 247.689 2.293 20 0 BEADMN Cc1cc(C)c(N)c(Nc2nnco2)c1 ZINC001216095801 970936866 /nfs/dbraw/zinc/93/68/66/970936866.db2.gz PDIMAGYMFUBTNE-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001256735488 970960311 /nfs/dbraw/zinc/96/03/11/970960311.db2.gz BMSAZRQTZOGUPU-DOERSZECSA-N 0 1 234.318 2.302 20 0 BEADMN CNc1cc(F)cc(Nc2cncn2C)c1 ZINC001216185552 970964279 /nfs/dbraw/zinc/96/42/79/970964279.db2.gz LKVOFBFEYJMJGN-UHFFFAOYSA-N 0 1 220.251 2.345 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2cnccc2N(C)C)o1 ZINC001256736949 970966780 /nfs/dbraw/zinc/96/67/80/970966780.db2.gz OADIBCWSQJZZCO-BDAKNGLRSA-N 0 1 244.298 2.321 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCCC(=O)CC1 ZINC001256737712 970970355 /nfs/dbraw/zinc/97/03/55/970970355.db2.gz GUIGTTLZTRFZDG-LBPRGKRZSA-N 0 1 232.327 2.068 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCCCC12COC2 ZINC001256741603 970975367 /nfs/dbraw/zinc/97/53/67/970975367.db2.gz JEQYXVZGFOWYRY-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1csc(CN(CCCO)C(C)C)n1 ZINC000087396303 1169494861 /nfs/dbraw/zinc/49/48/61/1169494861.db2.gz RKMKBGRRUJGYAB-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN CN(C)Cc1cccc(Nc2cn(C)cn2)c1F ZINC001216227051 970995922 /nfs/dbraw/zinc/99/59/22/970995922.db2.gz OALAGUBMEUYFQQ-UHFFFAOYSA-N 0 1 248.305 2.364 20 0 BEADMN C[C@@H]1CCN(CC=C(Cl)Cl)[C@H]1CO ZINC000403664904 971012927 /nfs/dbraw/zinc/01/29/27/971012927.db2.gz UBBPTTRYLYRATF-SFYZADRCSA-N 0 1 224.131 2.008 20 0 BEADMN Cc1cnc(CNC2C[C@H]3CC[C@@H](C2)S3)o1 ZINC000403672558 971010889 /nfs/dbraw/zinc/01/08/89/971010889.db2.gz OUUZOKYPTHSVNN-FGWVZKOKSA-N 0 1 238.356 2.499 20 0 BEADMN CCOc1nccc(-c2cccc3nc[nH]c32)n1 ZINC001243930775 971029768 /nfs/dbraw/zinc/02/97/68/971029768.db2.gz KIQBGPHUJBXNNZ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN O=C1CCc2cccc(C3=CNCCC3)c2N1 ZINC001243949410 971038197 /nfs/dbraw/zinc/03/81/97/971038197.db2.gz FRGZPPOOBLMGMT-UHFFFAOYSA-N 0 1 228.295 2.296 20 0 BEADMN COC(=O)c1ccccc1C1=CNCCC1 ZINC001243950256 971038937 /nfs/dbraw/zinc/03/89/37/971038937.db2.gz UWQPBARFZGAGLQ-UHFFFAOYSA-N 0 1 217.268 2.198 20 0 BEADMN c1cc2nsnc2c(C2=CNCCC2)c1 ZINC001243950340 971040734 /nfs/dbraw/zinc/04/07/34/971040734.db2.gz PNIXHISQKQWYAA-UHFFFAOYSA-N 0 1 217.297 2.416 20 0 BEADMN COC(=O)c1ccc(OC)c(C2=CNCCC2)c1 ZINC001243951405 971043723 /nfs/dbraw/zinc/04/37/23/971043723.db2.gz WGCOCEVVSJCZCB-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN COc1cc(Nc2nonc2C)c(Cl)cn1 ZINC001216383906 971070072 /nfs/dbraw/zinc/07/00/72/971070072.db2.gz KYQSAQMRJPARKE-UHFFFAOYSA-N 0 1 240.650 2.179 20 0 BEADMN COc1cc(Nc2cncn2C)c(Cl)cn1 ZINC001216385083 971071109 /nfs/dbraw/zinc/07/11/09/971071109.db2.gz ZBWLJCRUBSJXGF-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CCc1coc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001257071393 971084057 /nfs/dbraw/zinc/08/40/57/971084057.db2.gz YYDVKHVXCATSSX-PEGIJTEDSA-N 0 1 238.331 2.283 20 0 BEADMN Cc1cccc2ccnc(NCC3OCCO3)c12 ZINC001158202922 971104595 /nfs/dbraw/zinc/10/45/95/971104595.db2.gz ACLUSWYZHMFLAZ-UHFFFAOYSA-N 0 1 244.294 2.328 20 0 BEADMN Cc1nonc1CNC1CCC2(CC2)CC1 ZINC000390786773 973943641 /nfs/dbraw/zinc/94/36/41/973943641.db2.gz QPBPOZKHEQMPOI-UHFFFAOYSA-N 0 1 221.304 2.190 20 0 BEADMN CCC[C@@H](CC)N1CCn2ccnc2C1 ZINC001257259771 971160596 /nfs/dbraw/zinc/16/05/96/971160596.db2.gz OJBWJRNGWPWPFB-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN CCC[C@H](CC)N1CCc2c(ncn2C)C1 ZINC001257267415 971166181 /nfs/dbraw/zinc/16/61/81/971166181.db2.gz WVGALXABSVBWGX-NSHDSACASA-N 0 1 221.348 2.357 20 0 BEADMN Cn1cncc1Nc1cc(F)c(O)c(F)c1 ZINC001211251028 1169531778 /nfs/dbraw/zinc/53/17/78/1169531778.db2.gz VNIWREHQJQIKTH-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN Cc1ccc(Nc2cncn2C)cc1O ZINC001211250690 1169532264 /nfs/dbraw/zinc/53/22/64/1169532264.db2.gz QVWJCAQSIOCEDN-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CCC(CC)n1c(CN)nc2cnccc21 ZINC001257291280 971178013 /nfs/dbraw/zinc/17/80/13/971178013.db2.gz KKWCKTHXGXWMGW-UHFFFAOYSA-N 0 1 218.304 2.251 20 0 BEADMN CCC(CC)N[C@H](C)c1ncc(F)cn1 ZINC001257290993 971178163 /nfs/dbraw/zinc/17/81/63/971178163.db2.gz RBHNHONNEPFYCC-MRVPVSSYSA-N 0 1 211.284 2.455 20 0 BEADMN CCC[C@H](C)N1CC(N2CCC(F)(F)C2)C1 ZINC001257325530 971225692 /nfs/dbraw/zinc/22/56/92/971225692.db2.gz KIXDMXAEUHHEPD-JTQLQIEISA-N 0 1 232.318 2.200 20 0 BEADMN c1ccc(C2(NC3CCCC3)COC2)cc1 ZINC001257344737 971256286 /nfs/dbraw/zinc/25/62/86/971256286.db2.gz QVLPABPDMHQINY-UHFFFAOYSA-N 0 1 217.312 2.444 20 0 BEADMN C[C@H](N[C@@H]1CO[C@@H](C)[C@@H]1C)c1cscn1 ZINC000405677443 971290463 /nfs/dbraw/zinc/29/04/63/971290463.db2.gz YCHAUXZCEQNJGD-AATLWQCWSA-N 0 1 226.345 2.217 20 0 BEADMN Cc1cnc(NC[C@@H](O)C(F)(F)F)cc1C ZINC001158543065 971316225 /nfs/dbraw/zinc/31/62/25/971316225.db2.gz NXIAVEHAYXXHBF-MRVPVSSYSA-N 0 1 234.221 2.034 20 0 BEADMN c1ccc(CCCc2nnc([C@@H]3CCN3)o2)cc1 ZINC001217694588 971327898 /nfs/dbraw/zinc/32/78/98/971327898.db2.gz HWXSEKZVBCGTQD-LBPRGKRZSA-N 0 1 243.310 2.279 20 0 BEADMN CCCC[C@H](CC)N1CCO[C@@H](C(C)=O)C1 ZINC001257425976 971328269 /nfs/dbraw/zinc/32/82/69/971328269.db2.gz DEVJRPZWIODLDQ-QWHCGFSZSA-N 0 1 227.348 2.245 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693526 971330196 /nfs/dbraw/zinc/33/01/96/971330196.db2.gz WMMWZPXPVMTYTM-XHNCKOQMSA-N 0 1 233.271 2.029 20 0 BEADMN NC1(c2nnc(-c3ccccc3)o2)CCCC1 ZINC001217694218 971331759 /nfs/dbraw/zinc/33/17/59/971331759.db2.gz FQGXYTYMPKYIOA-UHFFFAOYSA-N 0 1 229.283 2.465 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217695779 971334882 /nfs/dbraw/zinc/33/48/82/971334882.db2.gz XLJIRKRVNXRNSL-SRVKXCTJSA-N 0 1 241.294 2.375 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@@H]2NCCC[C@H]2C)o1 ZINC001217701336 971337988 /nfs/dbraw/zinc/33/79/88/971337988.db2.gz DGXWQYMLKYBZBR-DOLQZWNJSA-N 0 1 221.304 2.254 20 0 BEADMN C[C@@H]1CCCN[C@@H]1c1nnc(C2CCC2)o1 ZINC001217702942 971343401 /nfs/dbraw/zinc/34/34/01/971343401.db2.gz QHLAKVPGPQGAAS-SCZZXKLOSA-N 0 1 221.304 2.398 20 0 BEADMN CCCc1nnc([C@@H]2CC[C@@H](C)CN2)o1 ZINC001217702450 971343664 /nfs/dbraw/zinc/34/36/64/971343664.db2.gz KQJMECVGBBDENU-BDAKNGLRSA-N 0 1 209.293 2.083 20 0 BEADMN CCOc1ccc(-c2nnc([C@H]3CCN3)o2)cc1 ZINC001217717290 971351823 /nfs/dbraw/zinc/35/18/23/971351823.db2.gz AFLZDDFBMNHJTA-LLVKDONJSA-N 0 1 245.282 2.170 20 0 BEADMN CCCCC[C@@H](C)N1CCN(C)C(=O)[C@H]1C ZINC001257514894 971437587 /nfs/dbraw/zinc/43/75/87/971437587.db2.gz GSIJXVGFZMRICA-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN CCCCC[C@@H](C)N1CC(N(C)C(C)=O)C1 ZINC001257517307 971440651 /nfs/dbraw/zinc/44/06/51/971440651.db2.gz UJKWKGWHAKMVRU-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN FC1C[C@@H]2COC[C@H](C1)N2[C@@H]1CCCSC1 ZINC001257682327 971485107 /nfs/dbraw/zinc/48/51/07/971485107.db2.gz XEFKUWADWNCZFK-RDFFEMEHSA-N 0 1 245.363 2.083 20 0 BEADMN OCc1ccc(-c2cc3nc[nH]c3cn2)c(F)c1 ZINC001244909201 971497766 /nfs/dbraw/zinc/49/77/66/971497766.db2.gz GDFLCUFXVBNKMK-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN O=C([O-])CC[N@@H+](C1CC1)C1CCCCC1 ZINC000037474181 948834994 /nfs/dbraw/zinc/83/49/94/948834994.db2.gz XUJCSRIWTHPSRX-UHFFFAOYSA-N 0 1 211.305 2.258 20 0 BEADMN C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789278 949066017 /nfs/dbraw/zinc/06/60/17/949066017.db2.gz SXKKIEYDWYARPW-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@@H](Nc1cccc2cc[nH+]cc21)C(=O)[O-] ZINC000087521294 949093037 /nfs/dbraw/zinc/09/30/37/949093037.db2.gz LCDLEKORDZHKMK-MRVPVSSYSA-N 0 1 216.240 2.120 20 0 BEADMN C[C@@H](CNc1[nH+]ccc2ccccc21)C(=O)[O-] ZINC000168605103 949468718 /nfs/dbraw/zinc/46/87/18/949468718.db2.gz XECNUJNSPVMDHN-VIFPVBQESA-N 0 1 230.267 2.367 20 0 BEADMN C[C@H](O)c1ncc(CNC/C=C\C2CC2)s1 ZINC001330422426 974259355 /nfs/dbraw/zinc/25/93/55/974259355.db2.gz BXPWZVNSLGHNTD-XADBCAIWSA-N 0 1 238.356 2.252 20 0 BEADMN C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226443925 949583104 /nfs/dbraw/zinc/58/31/04/949583104.db2.gz SXKKIEYDWYARPW-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN CCC[C@H](CC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226974918 1169617124 /nfs/dbraw/zinc/61/71/24/1169617124.db2.gz STXSBZPFURKXTC-VIFPVBQESA-N 0 1 247.298 2.276 20 0 BEADMN CCCC[C@@H]([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC000233026768 949795266 /nfs/dbraw/zinc/79/52/66/949795266.db2.gz YHVGGLBQDOPEAP-SNVBAGLBSA-N 0 1 242.344 2.185 20 0 BEADMN CC[C@H]([NH2+][C@H](C(=O)[O-])C1CC1)c1nccs1 ZINC000234025932 949810307 /nfs/dbraw/zinc/81/03/07/949810307.db2.gz MIJIJGHJVLSYNV-IUCAKERBSA-N 0 1 240.328 2.047 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3ncccn3)C[C@@H]21 ZINC001170713829 971627501 /nfs/dbraw/zinc/62/75/01/971627501.db2.gz RDXVINVWDMRKBS-RTCCRHLQSA-N 0 1 217.316 2.001 20 0 BEADMN Cc1coc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000257693168 950030363 /nfs/dbraw/zinc/03/03/63/950030363.db2.gz UYSLNLRPUJNAJZ-NSHDSACASA-N 0 1 237.299 2.275 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000379472714 971640070 /nfs/dbraw/zinc/64/00/70/971640070.db2.gz TVMWFNMLCJQROH-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CCC[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000380135837 971679982 /nfs/dbraw/zinc/67/99/82/971679982.db2.gz XTFZQUACBVOUAT-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2(C)CCC2)[C@H]1C(=O)[O-] ZINC000309781021 950689817 /nfs/dbraw/zinc/68/98/17/950689817.db2.gz RDEUTMLNIPYFQQ-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCC[C@H](C)C1Oc1n[nH]c2c1CNCC2 ZINC001218352714 971724139 /nfs/dbraw/zinc/72/41/39/971724139.db2.gz KOGYIJVDXCBOPT-UWVGGRQHSA-N 0 1 249.358 2.259 20 0 BEADMN O=C([O-])CCC[N@@H+](CC1CC1)C1CCC1 ZINC000389861506 951362201 /nfs/dbraw/zinc/36/22/01/951362201.db2.gz DQOZXRKSJORIIY-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN Cn1cnc2c1CN([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170764705 971751821 /nfs/dbraw/zinc/75/18/21/971751821.db2.gz LJZOYVUMPTVKTI-ZSBIGDGJSA-N 0 1 245.370 2.213 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000399063986 951630372 /nfs/dbraw/zinc/63/03/72/951630372.db2.gz OUFLFOLMTJWERM-UTUOFQBUSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000399073868 951631434 /nfs/dbraw/zinc/63/14/34/951631434.db2.gz RDIJHGAUSXGBCT-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@H](C)[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000399101239 951635115 /nfs/dbraw/zinc/63/51/15/951635115.db2.gz UQKFRSOULHJTOL-FIQHERPVSA-N 0 1 227.348 2.464 20 0 BEADMN CC[N@@H+]([C@@H](C)C(=O)OC)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170768683 971767352 /nfs/dbraw/zinc/76/73/52/971767352.db2.gz ZVKYWRKNWPFVFZ-FIQHERPVSA-N 0 1 239.359 2.304 20 0 BEADMN CCC=CNc1nc(Cl)cnc1OC ZINC001170767595 971767648 /nfs/dbraw/zinc/76/76/48/971767648.db2.gz SOQVDPFBEZFKPH-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN CCC=CNc1ncccc1S(=O)(=O)CC ZINC001170767558 971768107 /nfs/dbraw/zinc/76/81/07/971768107.db2.gz SGQJWVVPVNUGQD-VMPITWQZSA-N 0 1 240.328 2.211 20 0 BEADMN CCC=CNc1ncnc2ccc(OC)nc21 ZINC001170767609 971769062 /nfs/dbraw/zinc/76/90/62/971769062.db2.gz SUGAIGKLBCTDSN-QPJJXVBHSA-N 0 1 230.271 2.369 20 0 BEADMN C[N@@H+](Cc1cncnc1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170768285 971772233 /nfs/dbraw/zinc/77/22/33/971772233.db2.gz WDHVHNMAFMJXPQ-XYYAHUGASA-N 0 1 231.343 2.343 20 0 BEADMN Cc1nc2[nH]cnc2c(OC(C2CC2)C2CC2)n1 ZINC001229438725 1169660607 /nfs/dbraw/zinc/66/06/07/1169660607.db2.gz UQGZPLLIVGWYOJ-UHFFFAOYSA-N 0 1 244.298 2.229 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@]1(C)CCCS1 ZINC000382116168 971799682 /nfs/dbraw/zinc/79/96/82/971799682.db2.gz FPUNDQMIUSOQRT-SCVCMEIPSA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)n1ccnc1CN ZINC001172321331 974530387 /nfs/dbraw/zinc/53/03/87/974530387.db2.gz JBAUZJMJFWHYJA-MNOVXSKESA-N 0 1 225.336 2.108 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)n1ccnc1CN ZINC001172321330 974531594 /nfs/dbraw/zinc/53/15/94/974531594.db2.gz JBAUZJMJFWHYJA-GHMZBOCLSA-N 0 1 225.336 2.108 20 0 BEADMN c1nc2c(nccc2NCOc2ccccc2)[nH]1 ZINC001170805699 971858220 /nfs/dbraw/zinc/85/82/20/971858220.db2.gz GQTLKEAQUYVUCC-UHFFFAOYSA-N 0 1 240.266 2.406 20 0 BEADMN Nc1cc(NCOc2ccccc2)ncc1F ZINC001170806568 971859735 /nfs/dbraw/zinc/85/97/35/971859735.db2.gz LBHIXEIATHNBKT-UHFFFAOYSA-N 0 1 233.246 2.251 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000383618903 971881339 /nfs/dbraw/zinc/88/13/39/971881339.db2.gz QRWIZPJNYLUPHB-ZWNOBZJWSA-N 0 1 248.326 2.400 20 0 BEADMN CC1(C)C[C@H](N2CC3(C2)C[C@H](F)CS3)CO1 ZINC001172289189 974554913 /nfs/dbraw/zinc/55/49/13/974554913.db2.gz SVSYZOSCPBAXSI-UWVGGRQHSA-N 0 1 245.363 2.083 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1CCCCC(=O)[O-] ZINC000383824557 971896754 /nfs/dbraw/zinc/89/67/54/971896754.db2.gz HSIOYQPGRUNWBW-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1CCCCC(=O)[O-] ZINC000383824553 971896624 /nfs/dbraw/zinc/89/66/24/971896624.db2.gz HSIOYQPGRUNWBW-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc([S-])cc1 ZINC001233258376 1169686384 /nfs/dbraw/zinc/68/63/84/1169686384.db2.gz CKQWDBGLAFEMGX-PWSUYJOCSA-N 0 1 237.368 2.321 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000383965825 971903524 /nfs/dbraw/zinc/90/35/24/971903524.db2.gz PMYJBPATOVPDJW-NSHDSACASA-N 0 1 248.326 2.329 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1CCCCC(=O)[O-] ZINC000383824558 971896869 /nfs/dbraw/zinc/89/68/69/971896869.db2.gz HSIOYQPGRUNWBW-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CC(=O)OC1CN([C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172372585 974572564 /nfs/dbraw/zinc/57/25/64/974572564.db2.gz FZGWFNJVYOQQAC-JFGNBEQYSA-N 0 1 225.332 2.058 20 0 BEADMN CC[C@@H](C)[C@H](C)N1CCn2cncc2C1 ZINC001170826146 971928571 /nfs/dbraw/zinc/92/85/71/971928571.db2.gz FZYGZJINYNKQPW-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN Cc1nc2cncc(N[C@@H]3CCOC[C@@H]3C)c2[nH]1 ZINC001170826771 971938014 /nfs/dbraw/zinc/93/80/14/971938014.db2.gz XTNDEAHTSAWHLR-WCBMZHEXSA-N 0 1 246.314 2.103 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172338403 974603779 /nfs/dbraw/zinc/60/37/79/974603779.db2.gz MMVOCURUSOLOSD-AVGNSLFASA-N 0 1 241.375 2.491 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001172338581 974604858 /nfs/dbraw/zinc/60/48/58/974604858.db2.gz BXSPNLIVCXRVPC-VOAKCMCISA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1C[C@@H](OC)[C@@H](F)C1 ZINC001172339557 974604993 /nfs/dbraw/zinc/60/49/93/974604993.db2.gz OYDNUMJWVVUMGW-QNWHQSFQSA-N 0 1 247.354 2.249 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000385195939 971985478 /nfs/dbraw/zinc/98/54/78/971985478.db2.gz OQFXHWOFJHDCIE-TTZKWOQHSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000385195937 971985619 /nfs/dbraw/zinc/98/56/19/971985619.db2.gz OQFXHWOFJHDCIE-PCYYEKQGSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H](N(C)c1cc(C(=O)[O-])cc[nH+]1)C1(C)CC1 ZINC000385215344 971987814 /nfs/dbraw/zinc/98/78/14/971987814.db2.gz BWNUQILXMFNSMO-VIFPVBQESA-N 0 1 234.299 2.405 20 0 BEADMN CC[C@](N)(CO)Nc1c(C)cc(C)cc1C ZINC001170864365 971995201 /nfs/dbraw/zinc/99/52/01/971995201.db2.gz HPRXAWSCKCBWBI-CYBMUJFWSA-N 0 1 222.332 2.081 20 0 BEADMN CCCc1cc(=O)n(-c2cc(F)nc(F)c2)[nH]1 ZINC001245923816 972097361 /nfs/dbraw/zinc/09/73/61/972097361.db2.gz GKSQPTWJHHLMMD-UHFFFAOYSA-N 0 1 239.225 2.204 20 0 BEADMN CCCNC(=O)c1nc2cccc(C)c2[nH]1 ZINC001220238299 972188928 /nfs/dbraw/zinc/18/89/28/972188928.db2.gz QXPLZQJWUKZSIV-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN Oc1cc(F)c(-c2ncncc2F)cc1F ZINC001206756295 956884070 /nfs/dbraw/zinc/88/40/70/956884070.db2.gz ZZDKYYLLLCEIRL-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1cc(NC(=O)c2ocnc2C(F)F)no1 ZINC001125274655 956896283 /nfs/dbraw/zinc/89/62/83/956896283.db2.gz WNDGTPSMHPYWEC-UHFFFAOYSA-N 0 1 243.169 2.161 20 0 BEADMN CC1=C[C@H](C)[C@H](CN2CCn3nncc3C2)CC1 ZINC001208182873 957065848 /nfs/dbraw/zinc/06/58/48/957065848.db2.gz VTTORSOOBNCMGG-STQMWFEESA-N 0 1 246.358 2.086 20 0 BEADMN CC(C)c1ccc(Nc2nccnc2CN)nc1 ZINC001160245998 972246028 /nfs/dbraw/zinc/24/60/28/972246028.db2.gz RCDKNOSNUPPSNN-UHFFFAOYSA-N 0 1 243.314 2.197 20 0 BEADMN CN1CC=C(Nc2c[nH]c(Cl)cc2=O)CC1 ZINC001208793229 957171589 /nfs/dbraw/zinc/17/15/89/957171589.db2.gz FNHQAJBPENHRAR-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN c1cc2c(cn1)CN(C[C@H]1CCC=CO1)CC2 ZINC001208879940 957194297 /nfs/dbraw/zinc/19/42/97/957194297.db2.gz JYESWBYMHLBVMG-CQSZACIVSA-N 0 1 230.311 2.132 20 0 BEADMN c1cncc(C2CN(C[C@@H]3CCC=CO3)C2)c1 ZINC001208880896 957199592 /nfs/dbraw/zinc/19/95/92/957199592.db2.gz RFLFCJBNPVYKMS-AWEZNQCLSA-N 0 1 230.311 2.174 20 0 BEADMN c1cncc(C2CN(C[C@H]3CCC=CO3)C2)c1 ZINC001208880897 957201387 /nfs/dbraw/zinc/20/13/87/957201387.db2.gz RFLFCJBNPVYKMS-CQSZACIVSA-N 0 1 230.311 2.174 20 0 BEADMN CCOCC[C@H](C)NCc1nccnc1Cl ZINC001172406661 974662869 /nfs/dbraw/zinc/66/28/69/974662869.db2.gz OQYRBBBHIYQSNQ-VIFPVBQESA-N 0 1 243.738 2.035 20 0 BEADMN CCCN(c1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000037097637 957263321 /nfs/dbraw/zinc/26/33/21/957263321.db2.gz IOZZIEPPUSMZOH-UHFFFAOYSA-N 0 1 220.272 2.159 20 0 BEADMN Cc1cnc(N(C)C[C@H]2CC2(C)C)c(N)c1 ZINC001167092574 957272854 /nfs/dbraw/zinc/27/28/54/957272854.db2.gz QNOAXDJUBLOXJJ-SNVBAGLBSA-N 0 1 219.332 2.455 20 0 BEADMN Cc1nc2cnc(N(C)C[C@@H]3CC3(C)C)nc2[nH]1 ZINC001167093092 957281960 /nfs/dbraw/zinc/28/19/60/957281960.db2.gz UCZQXFKVUFUMTL-VIFPVBQESA-N 0 1 245.330 2.095 20 0 BEADMN Fc1ccc(CCN2CC=CC2)cc1F ZINC001209240381 957368804 /nfs/dbraw/zinc/36/88/04/957368804.db2.gz WZNBCJBCUQFLRB-UHFFFAOYSA-N 0 1 209.239 2.379 20 0 BEADMN CSc1nccc(C[N@H+]2CCC[C@@H]2C)n1 ZINC001140033304 957390039 /nfs/dbraw/zinc/39/00/39/957390039.db2.gz VUEPFNATRDCGNP-VIFPVBQESA-N 0 1 223.345 2.183 20 0 BEADMN CSc1nccc(CN2CCC[C@@H]2C)n1 ZINC001140033304 957390052 /nfs/dbraw/zinc/39/00/52/957390052.db2.gz VUEPFNATRDCGNP-VIFPVBQESA-N 0 1 223.345 2.183 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000043459127 957432368 /nfs/dbraw/zinc/43/23/68/957432368.db2.gz QXTVYDBLNBOOST-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN C[C@H](C[N@@H+](C)CCc1ccc(F)cc1)C(=O)[O-] ZINC000049829708 957480716 /nfs/dbraw/zinc/48/07/16/957480716.db2.gz FIJMYPHSNXANCU-SNVBAGLBSA-N 0 1 239.290 2.021 20 0 BEADMN CSC[C@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000390224313 972270694 /nfs/dbraw/zinc/27/06/94/972270694.db2.gz ALDDYPKPBUXZDQ-NSHDSACASA-N 0 1 245.388 2.316 20 0 BEADMN C[N@@H+](CCSC(C)(C)C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693025157 957508244 /nfs/dbraw/zinc/50/82/44/957508244.db2.gz BJLKVFACWZRYPE-AOOOYVTPSA-N 0 1 245.388 2.313 20 0 BEADMN CCCCC[N@H+](C)Cc1ncccc1[O-] ZINC000164193326 957533575 /nfs/dbraw/zinc/53/35/75/957533575.db2.gz QBPAVBLDOYEJGH-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN CCCCC[N@@H+](C)Cc1ncccc1[O-] ZINC000164193326 957533587 /nfs/dbraw/zinc/53/35/87/957533587.db2.gz QBPAVBLDOYEJGH-UHFFFAOYSA-N 0 1 208.305 2.409 20 0 BEADMN Cc1ccc(N2CC[C@@H]3OCC[C@H]3C2)nc1C ZINC001167217406 957551931 /nfs/dbraw/zinc/55/19/31/957551931.db2.gz YJQJQOKSUVUGMV-STQMWFEESA-N 0 1 232.327 2.314 20 0 BEADMN Cc1cnc(N2CC[C@@H]3OCC[C@H]3C2)cc1C ZINC001167218961 957552342 /nfs/dbraw/zinc/55/23/42/957552342.db2.gz UOSBGTQLLNZRPF-STQMWFEESA-N 0 1 232.327 2.314 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011831 957556261 /nfs/dbraw/zinc/55/62/61/957556261.db2.gz DYENUEMNILMSRX-CYBMUJFWSA-N 0 1 247.294 2.068 20 0 BEADMN Cc1cc(N)ncc1Nc1noc2cccnc21 ZINC001209962517 957588348 /nfs/dbraw/zinc/58/83/48/957588348.db2.gz WNVUUPHEZXHJCW-UHFFFAOYSA-N 0 1 241.254 2.252 20 0 BEADMN COc1ccc(N)c(Nc2cnc(N)cc2C)c1 ZINC001209967628 957591833 /nfs/dbraw/zinc/59/18/33/957591833.db2.gz PLJYKCBLPQNMPN-UHFFFAOYSA-N 0 1 244.298 2.307 20 0 BEADMN CN[C@@H](C)c1nc(-c2cnc(C)cc2C)no1 ZINC000397397409 957621071 /nfs/dbraw/zinc/62/10/71/957621071.db2.gz DTKURWGPGBIOCI-VIFPVBQESA-N 0 1 232.287 2.029 20 0 BEADMN c1ncc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)[nH]1 ZINC001136866499 972282666 /nfs/dbraw/zinc/28/26/66/972282666.db2.gz XOKIPPYIBRAIDR-MNOVXSKESA-N 0 1 205.305 2.032 20 0 BEADMN CC(=O)c1ccc(Nc2nonc2C2CC2)cn1 ZINC001210272001 957706977 /nfs/dbraw/zinc/70/69/77/957706977.db2.gz ASRVWXUCUGQMHZ-UHFFFAOYSA-N 0 1 244.254 2.288 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc[nH]c2=O)C[C@H]1F ZINC001207002165 957737946 /nfs/dbraw/zinc/73/79/46/957737946.db2.gz SHIXZIABLOXAKS-PWSUYJOCSA-N 0 1 242.269 2.059 20 0 BEADMN Fc1cccc2c1CN(Cc1cnc[nH]1)C2 ZINC001136871501 972289526 /nfs/dbraw/zinc/28/95/26/972289526.db2.gz OINRYQLCAYRCGG-UHFFFAOYSA-N 0 1 217.247 2.065 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cncc(F)c3)C[C@H]12 ZINC001207026289 957781949 /nfs/dbraw/zinc/78/19/49/957781949.db2.gz HYORNVGXRNXAHO-YPMHNXCESA-N 0 1 248.301 2.022 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cncc(F)c3)C[C@@H]12 ZINC001207026288 957783811 /nfs/dbraw/zinc/78/38/11/957783811.db2.gz HYORNVGXRNXAHO-WCQYABFASA-N 0 1 248.301 2.022 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCC(C)(F)F ZINC001347299027 957864674 /nfs/dbraw/zinc/86/46/74/957864674.db2.gz JHQLIJAZKZZYRZ-UHFFFAOYSA-N 0 1 232.230 2.310 20 0 BEADMN CC=C(C)Nc1ncccc1CN1CCOCC1 ZINC001210792378 957884170 /nfs/dbraw/zinc/88/41/70/957884170.db2.gz CXMUIFNZDWALMV-KGVSQERTSA-N 0 1 247.342 2.249 20 0 BEADMN Cc1cnc(CN2CCC3(CC(F)C3)CC2)cn1 ZINC001207076989 957925270 /nfs/dbraw/zinc/92/52/70/957925270.db2.gz ZVVVXXVZCAYVMG-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN CCCO[C@@H]1CCN(Cc2ccnc(CC)n2)C1 ZINC001207086209 957959465 /nfs/dbraw/zinc/95/94/65/957959465.db2.gz KLWYQRNJJUFLKF-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN CN1CCC[C@@H](N[C@@H]2CCCCC2(F)F)C1 ZINC000398011848 957972007 /nfs/dbraw/zinc/97/20/07/957972007.db2.gz DHKPHIUIAGPDDM-GHMZBOCLSA-N 0 1 232.318 2.248 20 0 BEADMN C[N@@H+](Cc1c(F)cccc1F)C(C)(C)C(=O)[O-] ZINC000086762682 957987718 /nfs/dbraw/zinc/98/77/18/957987718.db2.gz KRBXFJSXVXIAOY-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN Cn1cncc1Nc1cccc(Cl)n1 ZINC001211245979 958101915 /nfs/dbraw/zinc/10/19/15/958101915.db2.gz WWOBLQVHTHOUTH-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN Cn1cncc1Nc1cccnc1Cl ZINC001211245002 958105250 /nfs/dbraw/zinc/10/52/50/958105250.db2.gz AOMKARLTVUWJRD-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN CC(=O)c1ccsc1Nc1cncn1C ZINC001211246591 958107903 /nfs/dbraw/zinc/10/79/03/958107903.db2.gz GLFZLWYIGOVKLU-UHFFFAOYSA-N 0 1 221.285 2.428 20 0 BEADMN Cn1cncc1Nc1cnc(Cl)nc1Cl ZINC001211246595 958108262 /nfs/dbraw/zinc/10/82/62/958108262.db2.gz GOECFAJUEGSGTI-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN COC(=O)c1ccc(F)c(Nc2cncn2C)c1 ZINC001211250043 958113964 /nfs/dbraw/zinc/11/39/64/958113964.db2.gz FPHJRBYLXVHAJC-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN Cn1cncc1Nc1cccc2c1CCO2 ZINC001211250056 958116380 /nfs/dbraw/zinc/11/63/80/958116380.db2.gz GETJOVFEOAYASV-UHFFFAOYSA-N 0 1 215.256 2.099 20 0 BEADMN Cc1cc(O)cc(C)c1Nc1cncn1C ZINC001211251641 958121959 /nfs/dbraw/zinc/12/19/59/958121959.db2.gz LVHXXSFOMZFOGE-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN COc1cnccc1Nc1cnc(F)c(C)c1 ZINC001211257452 958121500 /nfs/dbraw/zinc/12/15/00/958121500.db2.gz MIVIDVMCXIUCEV-UHFFFAOYSA-N 0 1 233.246 2.098 20 0 BEADMN COc1cnccc1Nc1cc(C)cc(C)c1N ZINC001211260637 958123844 /nfs/dbraw/zinc/12/38/44/958123844.db2.gz OKQMDXPEJIXRES-UHFFFAOYSA-N 0 1 243.310 2.455 20 0 BEADMN Cc1cc(C)cc(CNCc2cncnc2)c1 ZINC000693271869 958156229 /nfs/dbraw/zinc/15/62/29/958156229.db2.gz IYFZHXBXDDFULU-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000402224178 958193173 /nfs/dbraw/zinc/19/31/73/958193173.db2.gz URGAZGLCLFHGCU-RYUDHWBXSA-N 0 1 223.316 2.282 20 0 BEADMN CCN(C)Cc1cc(F)c(F)cc1OC ZINC001143387790 958218182 /nfs/dbraw/zinc/21/81/82/958218182.db2.gz TUHCWBNQXMDFAY-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN CN(Cc1ncc(C(F)(F)F)[nH]1)CC(F)F ZINC001137022220 972330719 /nfs/dbraw/zinc/33/07/19/972330719.db2.gz WWMNSRYFQCOOER-UHFFFAOYSA-N 0 1 243.179 2.125 20 0 BEADMN c1cc(CN2CCC(OC3CCC3)CC2)ncn1 ZINC001140345117 958255228 /nfs/dbraw/zinc/25/52/28/958255228.db2.gz ILNXTDCKNRIYGC-UHFFFAOYSA-N 0 1 247.342 2.010 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1ccc(C(=O)[O-])cn1 ZINC000094757726 958306377 /nfs/dbraw/zinc/30/63/77/958306377.db2.gz WCJKEUXRMIFESE-UHFFFAOYSA-N 0 1 245.282 2.148 20 0 BEADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)C(C)C ZINC000094762153 958307015 /nfs/dbraw/zinc/30/70/15/958307015.db2.gz DKVHNGKCOZSRMI-UHFFFAOYSA-N 0 1 236.315 2.400 20 0 BEADMN C[N@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762341 958307338 /nfs/dbraw/zinc/30/73/38/958307338.db2.gz UNFHPWUFVKVDPQ-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccoc1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762341 958307353 /nfs/dbraw/zinc/30/73/53/958307353.db2.gz UNFHPWUFVKVDPQ-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CCCCC[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762166 958308532 /nfs/dbraw/zinc/30/85/32/958308532.db2.gz QBDOAGJUFFSYDJ-UHFFFAOYSA-N 0 1 236.315 2.402 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1ccc(F)c(F)c1F ZINC000693429128 958406267 /nfs/dbraw/zinc/40/62/67/958406267.db2.gz QLJJLJWNZLJYIN-GMSGAONNSA-N 0 1 245.244 2.228 20 0 BEADMN C/C(=C/C[N@@H+](Cc1ccoc1)C1CC1)C(=O)[O-] ZINC000723722851 958465387 /nfs/dbraw/zinc/46/53/87/958465387.db2.gz RGWNCPMJLXVZNC-WMZJFQQLSA-N 0 1 235.283 2.275 20 0 BEADMN CC[C@H](C)[C@H](C)Sc1nc(N)cc(N)n1 ZINC000318864769 972350971 /nfs/dbraw/zinc/35/09/71/972350971.db2.gz KDARBJGQYXHNKQ-BQBZGAKWSA-N 0 1 226.349 2.168 20 0 BEADMN CCC[N@@H+](CCCC(F)(F)F)CC(=O)[O-] ZINC000123722848 958508014 /nfs/dbraw/zinc/50/80/14/958508014.db2.gz SIMZVXBMZLOEJD-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN CCc1cc(Nc2cncn2C)ccc1CO ZINC001216103652 958550638 /nfs/dbraw/zinc/55/06/38/958550638.db2.gz FQDJARXRNIZDBO-UHFFFAOYSA-N 0 1 231.299 2.218 20 0 BEADMN C[C@@H](CN1CC[C@]12CCOC2)C(F)(F)F ZINC000421013656 972357128 /nfs/dbraw/zinc/35/71/28/972357128.db2.gz GGYHIFLVRNJKTQ-DTWKUNHWSA-N 0 1 223.238 2.050 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CC[C@@](C)(O)C1 ZINC001143757820 972360950 /nfs/dbraw/zinc/36/09/50/972360950.db2.gz OAPKWGSYNIYZQM-CYBMUJFWSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1noc([C@H](N[C@@H]2CCSC2)C(C)C)n1 ZINC000167717211 958628081 /nfs/dbraw/zinc/62/80/81/958628081.db2.gz ZBNAQKRLEBDPEK-NXEZZACHSA-N 0 1 241.360 2.170 20 0 BEADMN OC[C@@H]1CCN(Cc2csc(Cl)c2)C1 ZINC000306729195 958821594 /nfs/dbraw/zinc/82/15/94/958821594.db2.gz CTPWXEPTUUDXNV-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN Cc1cc(N)n(-c2ccnc(C(C)(C)C)c2)n1 ZINC001213160688 958942884 /nfs/dbraw/zinc/94/28/84/958942884.db2.gz FYNHAEZKACFZBW-UHFFFAOYSA-N 0 1 230.315 2.455 20 0 BEADMN Clc1cc(N=C2CCCOC2)c(Cl)nn1 ZINC001216505040 959000751 /nfs/dbraw/zinc/00/07/51/959000751.db2.gz YGESATLVGOYJPD-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN Nc1cc(Cl)ccc1Nc1nnco1 ZINC001213644436 959025230 /nfs/dbraw/zinc/02/52/30/959025230.db2.gz UGFJVYIJATYFOW-UHFFFAOYSA-N 0 1 210.624 2.049 20 0 BEADMN CC(C)=CC(=O)NCc1[nH]nc2ccccc21 ZINC001143928628 972396711 /nfs/dbraw/zinc/39/67/11/972396711.db2.gz HSXNICNGGNLOTP-UHFFFAOYSA-N 0 1 229.283 2.145 20 0 BEADMN C[C@@H]1CC(=O)CCN1C[C@@H]1CCOC(C)(C)C1 ZINC001207354288 959226622 /nfs/dbraw/zinc/22/66/22/959226622.db2.gz SYOJNXJMYIWABS-VXGBXAGGSA-N 0 1 239.359 2.245 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167804898 959360523 /nfs/dbraw/zinc/36/05/23/959360523.db2.gz OUMKZIGKSHUOLC-NWDGAFQWSA-N 0 1 223.316 2.424 20 0 BEADMN Cc1nonc1CN[C@H]1CCC12CCCC2 ZINC000693891762 959482698 /nfs/dbraw/zinc/48/26/98/959482698.db2.gz YDHGIUGVODLXNG-NSHDSACASA-N 0 1 221.304 2.190 20 0 BEADMN CCNc1nc(CN(C)CC2CC2)cs1 ZINC000308829520 959515741 /nfs/dbraw/zinc/51/57/41/959515741.db2.gz TUOJVQOCLUNEAF-UHFFFAOYSA-N 0 1 225.361 2.417 20 0 BEADMN CCCC[C@H](C)N(C)CC(=O)OC(C)C ZINC000308856467 959521114 /nfs/dbraw/zinc/52/11/14/959521114.db2.gz OGAXHGDZDYSXAD-NSHDSACASA-N 0 1 215.337 2.449 20 0 BEADMN COc1cnc(-c2cc(F)c(O)c(F)c2)nc1 ZINC001244093460 1169768329 /nfs/dbraw/zinc/76/83/29/1169768329.db2.gz XMPYEPMTNLISCO-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cn1ncc(CN[C@H]2CSC2(C)C)c1Cl ZINC000382298543 959594289 /nfs/dbraw/zinc/59/42/89/959594289.db2.gz MSNPWIRXUGQWIM-QMMMGPOBSA-N 0 1 245.779 2.057 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000214857289 959744869 /nfs/dbraw/zinc/74/48/69/959744869.db2.gz IFINDUMMVMIJLG-FBHVHMQKSA-N 0 1 211.305 2.138 20 0 BEADMN COCOc1ccc(Nc2cncn2C)cc1 ZINC001211633439 959766069 /nfs/dbraw/zinc/76/60/69/959766069.db2.gz QYXKQFWOYCHBLB-UHFFFAOYSA-N 0 1 233.271 2.146 20 0 BEADMN C[C@@H]1CN(Cc2ccc3ncn(C)c3c2)C[C@@H]1F ZINC001140734312 959769250 /nfs/dbraw/zinc/76/92/50/959769250.db2.gz HHOAYZFFEUASBP-PWSUYJOCSA-N 0 1 247.317 2.363 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721607126 959825501 /nfs/dbraw/zinc/82/55/01/959825501.db2.gz YMLCGGFYDCGHEO-GXFFZTMASA-N 0 1 248.326 2.400 20 0 BEADMN Cc1ccc(O)c(NC(=O)C2(N(C)C)CCC2)c1 ZINC000158781348 959862101 /nfs/dbraw/zinc/86/21/01/959862101.db2.gz FRSNGIYLDWMWAS-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN O=C1CCCN(CCc2ccc(F)cc2)CC1 ZINC000197925633 972468169 /nfs/dbraw/zinc/46/81/69/972468169.db2.gz VEJOGCOCMRVUIC-UHFFFAOYSA-N 0 1 235.302 2.423 20 0 BEADMN C[C@H]1CN(CC=C(Cl)Cl)C[C@]1(C)CO ZINC000694654215 959950434 /nfs/dbraw/zinc/95/04/34/959950434.db2.gz KVWBOBDUGZCMCA-WCBMZHEXSA-N 0 1 238.158 2.256 20 0 BEADMN COc1cccc(CCN2C[C@@H](C)OC[C@@H]2C)c1 ZINC001207434048 960053422 /nfs/dbraw/zinc/05/34/22/960053422.db2.gz AZRLORGSQRPGTN-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN c1ncc(CN2CCC[C@H](c3ccccn3)C2)o1 ZINC001140931320 960090599 /nfs/dbraw/zinc/09/05/99/960090599.db2.gz FFJVLDLOZRUBCW-LBPRGKRZSA-N 0 1 243.310 2.449 20 0 BEADMN CCOc1c(F)cc(CN(C)C)cc1F ZINC001144016800 972484631 /nfs/dbraw/zinc/48/46/31/972484631.db2.gz HAWJNKDPZOPPSH-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN COC(=O)CN(C)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000709022349 960218055 /nfs/dbraw/zinc/21/80/55/960218055.db2.gz VWBCAZQOYFNVLX-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)CN(C)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000709022351 960218956 /nfs/dbraw/zinc/21/89/56/960218956.db2.gz VWBCAZQOYFNVLX-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN FC1(F)CC12CC(NCc1nccs1)C2 ZINC001327197672 972490249 /nfs/dbraw/zinc/49/02/49/972490249.db2.gz DDFUMOJCRZTERT-UHFFFAOYSA-N 0 1 230.283 2.421 20 0 BEADMN CO[C@H]1CCC[C@@H]1C(=O)NOCc1ccccc1 ZINC001353379314 960292832 /nfs/dbraw/zinc/29/28/32/960292832.db2.gz YBCWSZPGHUWCTP-STQMWFEESA-N 0 1 249.310 2.050 20 0 BEADMN c1nc(CN(C2CCC2)C2CCOCC2)co1 ZINC001141131321 960357454 /nfs/dbraw/zinc/35/74/54/960357454.db2.gz CWLJZMQKYAVGMK-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@H](C[C@H]1CCOC1)N[C@H](C)C(F)F ZINC000689790549 960371204 /nfs/dbraw/zinc/37/12/04/960371204.db2.gz DVEGGGUOYUYPSG-IWSPIJDZSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1c2nc[nH]c2ccc1NC(C)(C)CCO ZINC001167740336 960379891 /nfs/dbraw/zinc/37/98/91/960379891.db2.gz YZQNZWAPFDZTBQ-UHFFFAOYSA-N 0 1 233.315 2.444 20 0 BEADMN Cc1cc(CN(C)C2(C)COC2)cc(C)c1O ZINC001140659002 960479786 /nfs/dbraw/zinc/47/97/86/960479786.db2.gz HWHQBSAIPMMFBI-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC3(CC3)C2)[nH]1 ZINC001140685594 960501364 /nfs/dbraw/zinc/50/13/64/960501364.db2.gz YQUFPJMEQROFPN-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000695841813 960504874 /nfs/dbraw/zinc/50/48/74/960504874.db2.gz DZRQLGBMDHEOED-XFWSIPNHSA-N 0 1 221.304 2.239 20 0 BEADMN Cc1ccccc1C1=NN(CCCCO)C(=O)C1 ZINC001245931971 1169779833 /nfs/dbraw/zinc/77/98/33/1169779833.db2.gz LAAGNSYFUXKSOG-UHFFFAOYSA-N 0 1 246.310 2.337 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)CC2)[nH]n1 ZINC001203070125 960626861 /nfs/dbraw/zinc/62/68/61/960626861.db2.gz ICOZUILAHIVYDL-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)CC2)n[nH]1 ZINC001203070125 960626873 /nfs/dbraw/zinc/62/68/73/960626873.db2.gz ICOZUILAHIVYDL-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN Cc1cc(CN(C)CCOc2ccccc2)n[nH]1 ZINC001203075532 960670481 /nfs/dbraw/zinc/67/04/81/960670481.db2.gz JBSWHPFAQHDBCJ-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN Cc1cc(CN2CCc3nc(C)sc3C2)n[nH]1 ZINC001203076497 960674548 /nfs/dbraw/zinc/67/45/48/960674548.db2.gz DBSXQCNLHWQCKI-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN COc1ccc2c(c1)CN(Cc1cc(C)[nH]n1)C2 ZINC001203076512 960681760 /nfs/dbraw/zinc/68/17/60/960681760.db2.gz DFAJPMDDVVDBKG-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN FC1CC2(C1)CCN(Cc1cnco1)CC2 ZINC001140927982 960693467 /nfs/dbraw/zinc/69/34/67/960693467.db2.gz DKMBMRMZWCYQGD-UHFFFAOYSA-N 0 1 224.279 2.389 20 0 BEADMN c1ncc(CN2CC[C@@H](c3ccccn3)C2)o1 ZINC001140931713 960699421 /nfs/dbraw/zinc/69/94/21/960699421.db2.gz QNDSJSDFCQQUHC-LLVKDONJSA-N 0 1 229.283 2.059 20 0 BEADMN c1ncc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC001140928427 960700487 /nfs/dbraw/zinc/70/04/87/960700487.db2.gz MROHCOFSJQUQAR-GHMZBOCLSA-N 0 1 206.289 2.297 20 0 BEADMN CC(C)OC1CCN(Cc2cnco2)CC1 ZINC001140931145 960703482 /nfs/dbraw/zinc/70/34/82/960703482.db2.gz ALORLNFDNPIUEA-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN CCOCC1CCN(Cc2nccnc2C)CC1 ZINC001140938290 960727534 /nfs/dbraw/zinc/72/75/34/960727534.db2.gz JDHOKFZOMDQFDP-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN c1coc(CN2CCC3(CCC3)CC2)n1 ZINC001141005240 960804218 /nfs/dbraw/zinc/80/42/18/960804218.db2.gz YVZHYJZAFRFXNS-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN COCCN(C)Cc1ccc2cccc(O)c2n1 ZINC001141019241 960819564 /nfs/dbraw/zinc/81/95/64/960819564.db2.gz ZLHIHEKHNFHQBX-UHFFFAOYSA-N 0 1 246.310 2.019 20 0 BEADMN C[C@@]1(F)CCCCN(Cc2cn[nH]c2)C1 ZINC001203086268 960822588 /nfs/dbraw/zinc/82/25/88/960822588.db2.gz PVKYDODBSUVQBE-LLVKDONJSA-N 0 1 211.284 2.124 20 0 BEADMN Cc1ccncc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001141033187 960827179 /nfs/dbraw/zinc/82/71/79/960827179.db2.gz FGYPKRQCSLBRQG-WCFLWFBJSA-N 0 1 220.291 2.180 20 0 BEADMN F[C@@H]1CN(Cc2ccn3ccnc3c2)C[C@@H]2C[C@@H]21 ZINC001141046963 960833113 /nfs/dbraw/zinc/83/31/13/960833113.db2.gz BBJOXZXHGDVKEX-RWMBFGLXSA-N 0 1 245.301 2.124 20 0 BEADMN c1coc(CNCC2SCCS2)c1 ZINC000692835205 960856380 /nfs/dbraw/zinc/85/63/80/960856380.db2.gz PQFBZAXBPBRADQ-UHFFFAOYSA-N 0 1 215.343 2.175 20 0 BEADMN c1ncc(CO[C@@H]2CCOc3ccccc32)[nH]1 ZINC001223000522 960896269 /nfs/dbraw/zinc/89/62/69/960896269.db2.gz OYBCSUSILYJQNF-CYBMUJFWSA-N 0 1 230.267 2.450 20 0 BEADMN c1csc(CNCC2SCCS2)n1 ZINC000692856826 960911155 /nfs/dbraw/zinc/91/11/55/960911155.db2.gz SINUAMZECQFFPQ-UHFFFAOYSA-N 0 1 232.399 2.039 20 0 BEADMN Cc1ccc(CNCC2SCCS2)o1 ZINC000692863063 960981616 /nfs/dbraw/zinc/98/16/16/960981616.db2.gz SMJNOXITLNKBFB-UHFFFAOYSA-N 0 1 229.370 2.484 20 0 BEADMN F[C@@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141238774 961016744 /nfs/dbraw/zinc/01/67/44/961016744.db2.gz SWWSKJDSPVHYOL-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN F[C@@H]1CCN(Cc2cccc(-n3ccnc3)c2)C1 ZINC001141238774 961016768 /nfs/dbraw/zinc/01/67/68/961016768.db2.gz SWWSKJDSPVHYOL-CYBMUJFWSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1occc1CNC(=O)c1cccc(F)c1O ZINC001126246551 961032502 /nfs/dbraw/zinc/03/25/02/961032502.db2.gz CBBKRTGGQQBZBO-UHFFFAOYSA-N 0 1 249.241 2.363 20 0 BEADMN CC=CC=CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001141301876 961042274 /nfs/dbraw/zinc/04/22/74/961042274.db2.gz FKEVAWFGQNLNIH-MQQKCMAXSA-N 0 1 243.266 2.339 20 0 BEADMN C[C@H]1CCCCCN1Cc1cn2c(n1)COCC2 ZINC001141532676 961100900 /nfs/dbraw/zinc/10/09/00/961100900.db2.gz DCLITZKSZPOUQU-LBPRGKRZSA-N 0 1 249.358 2.178 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1cn2c(n1)COCC2 ZINC001141534852 961102805 /nfs/dbraw/zinc/10/28/05/961102805.db2.gz DOMBRCSTEPKXSS-NWDGAFQWSA-N 0 1 249.358 2.034 20 0 BEADMN CCO[C@H]1C[C@@H](N(C)CC(C)=O)C1(CC)CC ZINC001167820629 961123500 /nfs/dbraw/zinc/12/35/00/961123500.db2.gz VDDCHJKKZIXLEV-OLZOCXBDSA-N 0 1 241.375 2.491 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)CC(C)=O)C1(CC)CC ZINC001167820630 961123707 /nfs/dbraw/zinc/12/37/07/961123707.db2.gz VDDCHJKKZIXLEV-QWHCGFSZSA-N 0 1 241.375 2.491 20 0 BEADMN COc1ccc(CCCN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001207582373 961123917 /nfs/dbraw/zinc/12/39/17/961123917.db2.gz CCAVYYVFUZMLRN-ZFWWWQNUSA-N 0 1 247.338 2.101 20 0 BEADMN CS/C=C\C(=O)Nc1ccc(F)c(F)c1O ZINC001141880211 961169182 /nfs/dbraw/zinc/16/91/82/961169182.db2.gz REHBTCTWXXMCCY-PLNGDYQASA-N 0 1 245.250 2.486 20 0 BEADMN COc1ccc(Nc2nnc(C)o2)c(Cl)n1 ZINC001250286748 1169786411 /nfs/dbraw/zinc/78/64/11/1169786411.db2.gz XNCSPWHFXGIEPO-UHFFFAOYSA-N 0 1 240.650 2.179 20 0 BEADMN CC1CC(N(C)Cc2ccc(Cl)nn2)C1 ZINC001142060038 961234097 /nfs/dbraw/zinc/23/40/97/961234097.db2.gz OUVBYTGONUMOEX-UHFFFAOYSA-N 0 1 225.723 2.360 20 0 BEADMN Cc1nn(C(C)(C)C)c(C)c1CN1CCC1 ZINC001142155735 961293723 /nfs/dbraw/zinc/29/37/23/961293723.db2.gz ROQMHPKFNJJKGD-UHFFFAOYSA-N 0 1 221.348 2.461 20 0 BEADMN N=CNc1cc(Cl)nc2cnccc21 ZINC001167864608 961336542 /nfs/dbraw/zinc/33/65/42/961336542.db2.gz GQSLBMYHSOQSJO-UHFFFAOYSA-N 0 1 206.636 2.302 20 0 BEADMN Cc1coc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000257696811 961343151 /nfs/dbraw/zinc/34/31/51/961343151.db2.gz WJAFAIDJMVPYKX-GFCCVEGCSA-N 0 1 237.299 2.417 20 0 BEADMN C[C@@H]1CCN1Cc1ccc2c(c1)OCCCO2 ZINC001142251443 961370435 /nfs/dbraw/zinc/37/04/35/961370435.db2.gz SJURNDDJJCGNQY-LLVKDONJSA-N 0 1 233.311 2.442 20 0 BEADMN C1=CCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC001142251621 961374800 /nfs/dbraw/zinc/37/48/00/961374800.db2.gz UZSMSXMAKWSEOS-UHFFFAOYSA-N 0 1 231.295 2.220 20 0 BEADMN CCCOCCNc1cnc(N(C)C)cc1C ZINC001167873552 961392859 /nfs/dbraw/zinc/39/28/59/961392859.db2.gz ZZIMKTQEYNVMQV-UHFFFAOYSA-N 0 1 237.347 2.295 20 0 BEADMN COCOCCc1nc2cccc(C)c2[nH]1 ZINC001250591713 1169788410 /nfs/dbraw/zinc/78/84/10/1169788410.db2.gz XNTWWOPHHISLOE-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN Cn1cc2c(cccc2CN2CC[C@H](F)C2)n1 ZINC001142445324 961441989 /nfs/dbraw/zinc/44/19/89/961441989.db2.gz VAPVEVSRNBJEJT-NSHDSACASA-N 0 1 233.290 2.117 20 0 BEADMN COC(=O)c1ccc(CN2CCCC23CC3)o1 ZINC001142606950 961521814 /nfs/dbraw/zinc/52/18/14/961521814.db2.gz ZKAZTHLQTDIIGH-UHFFFAOYSA-N 0 1 235.283 2.195 20 0 BEADMN C[C@H]1CN(Cc2cccc3[nH]cnc32)C[C@H](C)O1 ZINC001142672605 961580679 /nfs/dbraw/zinc/58/06/79/961580679.db2.gz FZQHCPOJJMZECB-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN CC[C@H]1COCCN1Cc1cccc2[nH]cnc21 ZINC001142689903 961620102 /nfs/dbraw/zinc/62/01/02/961620102.db2.gz NKZBCVYYFMGKQF-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN F[C@@H]1CCC[N@@H+](Cc2cccc3[nH]cnc32)C1 ZINC001142687154 961620955 /nfs/dbraw/zinc/62/09/55/961620955.db2.gz NNHWFPYRYYWVCR-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142687154 961620962 /nfs/dbraw/zinc/62/09/62/961620962.db2.gz NNHWFPYRYYWVCR-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@@H]1CCCN(Cc2cccc3[nH]cnc32)C1 ZINC001142687154 961620976 /nfs/dbraw/zinc/62/09/76/961620976.db2.gz NNHWFPYRYYWVCR-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN CC1(C)COCC[N@H+]1Cc1cccc2[nH]cnc21 ZINC001142687765 961623772 /nfs/dbraw/zinc/62/37/72/961623772.db2.gz WSDGQGLZSKCAOZ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CC1(C)COCC[N@@H+]1Cc1cccc2nc[nH]c21 ZINC001142687765 961623780 /nfs/dbraw/zinc/62/37/80/961623780.db2.gz WSDGQGLZSKCAOZ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CC1(C)COCCN1Cc1cccc2[nH]cnc21 ZINC001142687765 961623796 /nfs/dbraw/zinc/62/37/96/961623796.db2.gz WSDGQGLZSKCAOZ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN F[C@H]1CCC[N@@H+](Cc2cccc3[nH]cnc32)C1 ZINC001142687155 961625969 /nfs/dbraw/zinc/62/59/69/961625969.db2.gz NNHWFPYRYYWVCR-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN F[C@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142687155 961625977 /nfs/dbraw/zinc/62/59/77/961625977.db2.gz NNHWFPYRYYWVCR-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN F[C@H]1CCCN(Cc2cccc3[nH]cnc32)C1 ZINC001142687155 961625990 /nfs/dbraw/zinc/62/59/90/961625990.db2.gz NNHWFPYRYYWVCR-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN NC(=O)c1ccc(-c2ccc3[nH]cnc3c2)s1 ZINC001344446000 961658629 /nfs/dbraw/zinc/65/86/29/961658629.db2.gz AABVMOCGQWGBCW-UHFFFAOYSA-N 0 1 243.291 2.390 20 0 BEADMN CC(C)CC(=O)N(C(=N)N)c1ccccc1F ZINC001142711127 961671313 /nfs/dbraw/zinc/67/13/13/961671313.db2.gz FTDWEOKOWGPNAS-UHFFFAOYSA-N 0 1 237.278 2.098 20 0 BEADMN COCC[N@@H+](C)Cc1csc(Cl)c1 ZINC001142760321 961709934 /nfs/dbraw/zinc/70/99/34/961709934.db2.gz OUBOEYUWHMMCJN-UHFFFAOYSA-N 0 1 219.737 2.480 20 0 BEADMN COCCN(C)Cc1csc(Cl)c1 ZINC001142760321 961709942 /nfs/dbraw/zinc/70/99/42/961709942.db2.gz OUBOEYUWHMMCJN-UHFFFAOYSA-N 0 1 219.737 2.480 20 0 BEADMN CC1(C)CN(Cc2ccnc3[nH]ccc32)CCO1 ZINC001142866388 961806950 /nfs/dbraw/zinc/80/69/50/961806950.db2.gz HVSAJWUQVQZKJC-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN FC(F)C1CN(Cc2ccnc3[nH]ccc32)C1 ZINC001142887772 961815587 /nfs/dbraw/zinc/81/55/87/961815587.db2.gz LBICBXGORUGFHP-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN CC(C)C1(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000687534374 961820596 /nfs/dbraw/zinc/82/05/96/961820596.db2.gz NECMPHYKLSWSRJ-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(CN2CCC(C)(F)CC2)c(N)n1 ZINC001143195111 961925070 /nfs/dbraw/zinc/92/50/70/961925070.db2.gz UFKNVMOCZVNXPD-UHFFFAOYSA-N 0 1 237.322 2.296 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1cc2cccnc2[nH]1 ZINC001143216799 961949823 /nfs/dbraw/zinc/94/98/23/961949823.db2.gz KLUIPZBHZCBZOF-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN C[C@H]1CCN1Cc1cc2cccnc2[nH]1 ZINC001143216799 961949831 /nfs/dbraw/zinc/94/98/31/961949831.db2.gz KLUIPZBHZCBZOF-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN Cc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc1 ZINC001225257360 961958299 /nfs/dbraw/zinc/95/82/99/961958299.db2.gz JLJDHLKDENGDAX-NILFDRSVSA-N 0 1 245.322 2.178 20 0 BEADMN COC(=O)c1cccnc1CN[C@@H]1CC[C@H](C)C1 ZINC000302263735 961978038 /nfs/dbraw/zinc/97/80/38/961978038.db2.gz CBTFHSMTOSKAPZ-WDEREUQCSA-N 0 1 248.326 2.146 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CC[C@H](C)C1 ZINC000092930813 962043979 /nfs/dbraw/zinc/04/39/79/962043979.db2.gz KEOZCTOQTULERT-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN O=C(Nc1ccsc1)c1[nH]nc2ncccc21 ZINC001149394081 962077868 /nfs/dbraw/zinc/07/78/68/962077868.db2.gz ZKUZVOSLHNZFKA-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CN1CCN([C@@H]2C[C@H]3C[C@H]3C2)Cc2cccnc21 ZINC001167938029 962128274 /nfs/dbraw/zinc/12/82/74/962128274.db2.gz DIRQYWGVLMDAEW-BTTYYORXSA-N 0 1 243.354 2.132 20 0 BEADMN c1cc2[nH]nnc2c(-c2ccc3nonc3c2)c1 ZINC001204952311 962179047 /nfs/dbraw/zinc/17/90/47/962179047.db2.gz VZVJOTMDLOCXAF-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000048013871 962316093 /nfs/dbraw/zinc/31/60/93/962316093.db2.gz ZIYLWZIKRMIDDZ-GHMZBOCLSA-N 0 1 233.315 2.062 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1ccn2cncc2c1 ZINC001151909807 962348702 /nfs/dbraw/zinc/34/87/02/962348702.db2.gz XEQGCDIZXKDNLJ-LBPRGKRZSA-N 0 1 241.294 2.173 20 0 BEADMN O=C(c1ccn2cncc2c1)N1C2CCC1CC2 ZINC001151905406 962353443 /nfs/dbraw/zinc/35/34/43/962353443.db2.gz LBESPCHNFAKNQW-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN Cc1cccc(C)c1CNC(=O)c1[nH]ncc1F ZINC001151951065 962362394 /nfs/dbraw/zinc/36/23/94/962362394.db2.gz CKPXFLGTTLUVDF-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN COc1cccnc1CN1C2CCC1CC2 ZINC001206644533 962496073 /nfs/dbraw/zinc/49/60/73/962496073.db2.gz NSSFLURZQNUOSF-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN CC[C@H]1CCCCN1CC(=O)OC(C)C ZINC000049633286 962650309 /nfs/dbraw/zinc/65/03/09/962650309.db2.gz UIYNTBOSKNSGED-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CCN1CC[C@@H](Oc2c(O)cccc2F)C1 ZINC001225799629 962831679 /nfs/dbraw/zinc/83/16/79/962831679.db2.gz DBIPQKXBSUERGL-SECBINFHSA-N 0 1 225.263 2.004 20 0 BEADMN CC[C@H](C)NC(=O)c1cc2cn[nH]c2cc1OC ZINC001154800859 962851801 /nfs/dbraw/zinc/85/18/01/962851801.db2.gz QETKLYKXDDNBQJ-QMMMGPOBSA-N 0 1 247.298 2.100 20 0 BEADMN CC(=O)c1ccc(F)cc1O[C@H]1CCN(C)C1 ZINC001225947143 962927357 /nfs/dbraw/zinc/92/73/57/962927357.db2.gz UQBLUCQWDRMPAW-NSHDSACASA-N 0 1 237.274 2.111 20 0 BEADMN Cc1cc(C)nc(NCCN2CCCCO2)c1 ZINC001154997668 962936081 /nfs/dbraw/zinc/93/60/81/962936081.db2.gz ONQRYRRPPPLHDQ-UHFFFAOYSA-N 0 1 235.331 2.138 20 0 BEADMN CCC(=O)N[C@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001154998657 962938210 /nfs/dbraw/zinc/93/82/10/962938210.db2.gz ANAJMUUJXFWOBN-MRVPVSSYSA-N 0 1 247.298 2.159 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccc(F)nc3)C[C@@H]12 ZINC001137744037 963019413 /nfs/dbraw/zinc/01/94/13/963019413.db2.gz KZFYSJUTPBIOMA-VXGBXAGGSA-N 0 1 248.301 2.022 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccc(F)nc3)C[C@@H]12 ZINC001137744035 963023204 /nfs/dbraw/zinc/02/32/04/963023204.db2.gz KZFYSJUTPBIOMA-NWDGAFQWSA-N 0 1 248.301 2.022 20 0 BEADMN CCOc1ccnc(NCc2cccn2C)c1 ZINC001155212446 963025690 /nfs/dbraw/zinc/02/56/90/963025690.db2.gz GVPFWGADILKKAX-UHFFFAOYSA-N 0 1 231.299 2.431 20 0 BEADMN OCC[C@H]1CCCN1Cc1cccnc1Cl ZINC000303742459 963079256 /nfs/dbraw/zinc/07/92/56/963079256.db2.gz RYRSFPMQTPAHFL-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)Cc1oncc1C(=O)[O-] ZINC000304601878 963151148 /nfs/dbraw/zinc/15/11/48/963151148.db2.gz MKEDLCBUHORJPF-VIFPVBQESA-N 0 1 240.303 2.241 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1ncccc1C(=O)[O-] ZINC000305965754 963167698 /nfs/dbraw/zinc/16/76/98/963167698.db2.gz PDQDINLSMOQHLW-UHFFFAOYSA-N 0 1 245.282 2.148 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1cccc2cncn21 ZINC001155800121 963176265 /nfs/dbraw/zinc/17/62/65/963176265.db2.gz RLAXGPRZLBGYSD-LLVKDONJSA-N 0 1 241.294 2.173 20 0 BEADMN CC[C@@H](C)Nc1cc(O[C@@H]2CCOC2)ccn1 ZINC001168004242 963246569 /nfs/dbraw/zinc/24/65/69/963246569.db2.gz VDSFNVRWVAGBSD-ZYHUDNBSSA-N 0 1 236.315 2.460 20 0 BEADMN CCN1CC[C@H](Oc2ccc(O)cc2C(C)=O)C1 ZINC001226849850 963387357 /nfs/dbraw/zinc/38/73/57/963387357.db2.gz VLFFNAYWXSLLPG-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CCc1nc(N[C@H](CC2CC2)C(=O)[O-])cc(C)[nH+]1 ZINC000310768934 963431922 /nfs/dbraw/zinc/43/19/22/963431922.db2.gz SKKQEZFFNXFQHQ-SNVBAGLBSA-N 0 1 249.314 2.013 20 0 BEADMN CCN1CCC[C@H](Oc2nccs2)C1 ZINC001227040193 963441017 /nfs/dbraw/zinc/44/10/17/963441017.db2.gz JCZJBESMCUIHOR-VIFPVBQESA-N 0 1 212.318 2.006 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1ccncc1 ZINC001227599226 963540883 /nfs/dbraw/zinc/54/08/83/963540883.db2.gz UZVWLASQKHHCEL-QMMMGPOBSA-N 0 1 248.311 2.004 20 0 BEADMN C=CC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC001356509216 963613499 /nfs/dbraw/zinc/61/34/99/963613499.db2.gz LXKYTGJSVFYVJJ-LBPRGKRZSA-N 0 1 248.326 2.109 20 0 BEADMN CCOc1ccnc(NCc2cnc(C)nc2)c1 ZINC001157602981 963674626 /nfs/dbraw/zinc/67/46/26/963674626.db2.gz POMDHBVKNWERJA-UHFFFAOYSA-N 0 1 244.298 2.191 20 0 BEADMN CC1(C)CCC[C@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228387477 963770294 /nfs/dbraw/zinc/77/02/94/963770294.db2.gz BNLLKHMISSVKAQ-QMMMGPOBSA-N 0 1 238.287 2.235 20 0 BEADMN CCCNc1ccc2cc(C(=O)OC)[nH]c2n1 ZINC001168130373 963811343 /nfs/dbraw/zinc/81/13/43/963811343.db2.gz AHTJHCOMGXXGDT-UHFFFAOYSA-N 0 1 233.271 2.171 20 0 BEADMN CC(C)N1CCN(c2ncccc2F)C[C@@H]1C ZINC001158493888 963882742 /nfs/dbraw/zinc/88/27/42/963882742.db2.gz QJOQSKGUEXPPGL-NSHDSACASA-N 0 1 237.322 2.140 20 0 BEADMN Cc1cccc([C@@H](O)CN2CCC[C@H](F)C2)c1 ZINC000689439433 963920396 /nfs/dbraw/zinc/92/03/96/963920396.db2.gz ZAXKPDJLSGCBCC-KBPBESRZSA-N 0 1 237.318 2.462 20 0 BEADMN C=C/C=C/CC(=O)Nc1cccc2[nH]nnc21 ZINC001158816692 963933279 /nfs/dbraw/zinc/93/32/79/963933279.db2.gz JHGUTDGXLOMWJR-ONEGZZNKSA-N 0 1 228.255 2.029 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@H]2Oc1nnc2c[nH]ccc1-2 ZINC001228989971 963937781 /nfs/dbraw/zinc/93/77/81/963937781.db2.gz MEGKFRBQRFGYDN-YGOYTEALSA-N 0 1 227.267 2.301 20 0 BEADMN CC1CCC(N2CCn3nccc3C2)CC1 ZINC001168224817 964008349 /nfs/dbraw/zinc/00/83/49/964008349.db2.gz RVEOMPKELRMUDS-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN Cc1nonc1Nc1c(Cl)cccc1CO ZINC001159171414 964009219 /nfs/dbraw/zinc/00/92/19/964009219.db2.gz MZZNWZWAWZXDQL-UHFFFAOYSA-N 0 1 239.662 2.267 20 0 BEADMN FC1(F)CC(N[C@@H]2CCc3cccnc32)C1 ZINC000697503121 964116587 /nfs/dbraw/zinc/11/65/87/964116587.db2.gz NDVFFLZGKUCMPC-SNVBAGLBSA-N 0 1 224.254 2.456 20 0 BEADMN CCCC=Nc1nc(OC)ncc1Cl ZINC001159668758 964142276 /nfs/dbraw/zinc/14/22/76/964142276.db2.gz FCZXQGQJEUQZGK-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN Cn1ccnc1Nc1ccc(O)c(F)c1F ZINC001211998010 964145601 /nfs/dbraw/zinc/14/56/01/964145601.db2.gz XAOQQFPEZXLAAP-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)c(F)c1F ZINC001212005150 964157032 /nfs/dbraw/zinc/15/70/32/964157032.db2.gz AAOHCEUUWHQCLY-UHFFFAOYSA-N 0 1 239.225 2.456 20 0 BEADMN CC[C@](N)(CO)Nc1ccc2cc(C)ccc2n1 ZINC001159739660 964173235 /nfs/dbraw/zinc/17/32/35/964173235.db2.gz LNEKRPHETCKVHJ-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCOCC12CCC2 ZINC001256746649 1169835758 /nfs/dbraw/zinc/83/57/58/1169835758.db2.gz ZJHVZRLUISOXMG-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CCC(F)(F)CN[C@H](C)C[C@@H]1CCOC1 ZINC000697639411 964378863 /nfs/dbraw/zinc/37/88/63/964378863.db2.gz LSCLUKUJCGXHCG-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN COc1ccc2c(c1)C[C@@H](N(C)CCF)C2 ZINC001168290693 964389474 /nfs/dbraw/zinc/38/94/74/964389474.db2.gz BCYFMKUACDCWBF-LBPRGKRZSA-N 0 1 223.291 2.064 20 0 BEADMN Cc1ccnc(NCc2ccc(=O)[nH]c2)c1C ZINC001168300186 964391274 /nfs/dbraw/zinc/39/12/74/964391274.db2.gz HXRDAUVKTXSAMB-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN CCC1CCC(N2CCC23COC3)CC1 ZINC001256874138 1169839340 /nfs/dbraw/zinc/83/93/40/1169839340.db2.gz WMFNJOOZBIBHNZ-UHFFFAOYSA-N 0 1 209.333 2.430 20 0 BEADMN CCc1cccnc1NC1CN(C(C)C)C1 ZINC001168313223 964414489 /nfs/dbraw/zinc/41/44/89/964414489.db2.gz NMQZNAPPLDQSDW-UHFFFAOYSA-N 0 1 219.332 2.149 20 0 BEADMN Cc1cc2cc[nH]c2c(NC2CN(C(C)C)C2)n1 ZINC001168312170 964416867 /nfs/dbraw/zinc/41/68/67/964416867.db2.gz YNHIYUBLIKGVTP-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CCc1ccncc1NC1CN(C(C)C)C1 ZINC001168313828 964417301 /nfs/dbraw/zinc/41/73/01/964417301.db2.gz FUFDNJORMIHMNR-UHFFFAOYSA-N 0 1 219.332 2.149 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H](C)OC[C@H]1C ZINC001256747501 1169838073 /nfs/dbraw/zinc/83/80/73/1169838073.db2.gz GZVSJIUVXOKHIG-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)N1CC(Nc2cccc3ocnc32)C1 ZINC001168314014 964420115 /nfs/dbraw/zinc/42/01/15/964420115.db2.gz IKLKNWPYSTZXAQ-UHFFFAOYSA-N 0 1 231.299 2.332 20 0 BEADMN CC(C)N1CC(Nc2ccc3nnccc3c2)C1 ZINC001168314578 964420483 /nfs/dbraw/zinc/42/04/83/964420483.db2.gz OZFMVLJTXHYZRX-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CC(C)N1CC(Nc2ccccc2C(C)(C)O)C1 ZINC001168315450 964425270 /nfs/dbraw/zinc/42/52/70/964425270.db2.gz PCHZSYAZVLCIEC-UHFFFAOYSA-N 0 1 248.370 2.419 20 0 BEADMN CC(C)N1CC(Nc2cccc3c2OCC3)C1 ZINC001168315980 964436955 /nfs/dbraw/zinc/43/69/55/964436955.db2.gz RMFWZVJGNYLZOK-UHFFFAOYSA-N 0 1 232.327 2.126 20 0 BEADMN CCC1(Nc2cn3ccnc3cc2C)COC1 ZINC001168322025 964442287 /nfs/dbraw/zinc/44/22/87/964442287.db2.gz RRERLJNPWBGCAS-UHFFFAOYSA-N 0 1 231.299 2.234 20 0 BEADMN CCC1(CNc2ccc3nc[nH]c3c2)COC1 ZINC001168330385 964462985 /nfs/dbraw/zinc/46/29/85/964462985.db2.gz GVQIMJYHNOXKHT-UHFFFAOYSA-N 0 1 231.299 2.401 20 0 BEADMN Cc1ccccc1CNc1ncc2nc[nH]c2n1 ZINC001161616241 964647645 /nfs/dbraw/zinc/64/76/45/964647645.db2.gz AOLVULVEZSXWIN-UHFFFAOYSA-N 0 1 239.282 2.225 20 0 BEADMN CCC1CCC(N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001256875383 1169846522 /nfs/dbraw/zinc/84/65/22/1169846522.db2.gz XFOLFQXXOSYFPO-HIFPTAJRSA-N 0 1 238.375 2.118 20 0 BEADMN CCO[C@H]1CCC[C@H](NCC(F)F)C1 ZINC000721264103 964781372 /nfs/dbraw/zinc/78/13/72/964781372.db2.gz XJMNRAVVLSSWAA-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN Nc1cc(NCCC(F)(F)F)ncc1F ZINC001161823253 964773902 /nfs/dbraw/zinc/77/39/02/964773902.db2.gz OZUVJHOVUKIGKE-UHFFFAOYSA-N 0 1 223.173 2.167 20 0 BEADMN Cc1nc2cc(-n3cncc3N)ccc2s1 ZINC001213036424 964783834 /nfs/dbraw/zinc/78/38/34/964783834.db2.gz OTBQZJHSJKWJJM-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN Cc1cc(N(C)C)ncc1NC1CCOCC1 ZINC001161863368 964795647 /nfs/dbraw/zinc/79/56/47/964795647.db2.gz WVECFUBOVYRPPI-UHFFFAOYSA-N 0 1 235.331 2.047 20 0 BEADMN c1cc(OCC2CC2)cc(NC2CCOCC2)n1 ZINC001161862665 964796929 /nfs/dbraw/zinc/79/69/29/964796929.db2.gz JJPKKSCERUAZHM-UHFFFAOYSA-N 0 1 248.326 2.461 20 0 BEADMN Cc1cccnc1CNc1ccc2nc[nH]c2n1 ZINC001161877125 964806830 /nfs/dbraw/zinc/80/68/30/964806830.db2.gz XAWCLBZFELSPLZ-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCc1coc(CNc2ccc3nc[nH]c3n2)n1 ZINC001162134718 964850672 /nfs/dbraw/zinc/85/06/72/964850672.db2.gz RYTYKOZUOSNCMG-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN CCCCNc1cccc(CN(C)C)n1 ZINC001162202155 964866706 /nfs/dbraw/zinc/86/67/06/964866706.db2.gz KNQIYMBGMUCYIC-UHFFFAOYSA-N 0 1 207.321 2.355 20 0 BEADMN CN(C)Cc1cccc(NC2CC(F)C2)n1 ZINC001162209259 964871829 /nfs/dbraw/zinc/87/18/29/964871829.db2.gz DEKFRTYFXKSJCV-UHFFFAOYSA-N 0 1 223.295 2.056 20 0 BEADMN Cc1nccc(NCCC2CCOCC2)c1F ZINC001162222584 964879028 /nfs/dbraw/zinc/87/90/28/964879028.db2.gz JWIZJRBMUZWZEN-UHFFFAOYSA-N 0 1 238.306 2.180 20 0 BEADMN Cc1oncc1CNc1cnc(N(C)C)cc1C ZINC001162272381 964900312 /nfs/dbraw/zinc/90/03/12/964900312.db2.gz IFVICHIRVHNPPC-UHFFFAOYSA-N 0 1 246.314 2.365 20 0 BEADMN Cc1ncc(Nc2cc(=O)[nH]c(Cl)n2)s1 ZINC001212130382 964918574 /nfs/dbraw/zinc/91/85/74/964918574.db2.gz NHQYKWNIFZNAJX-UHFFFAOYSA-N 0 1 242.691 2.344 20 0 BEADMN Cc1cc(N[C@@H](CO)CC(C)C)nc2[nH]cnc21 ZINC001162364032 964942570 /nfs/dbraw/zinc/94/25/70/964942570.db2.gz HGGIBGHRRLBUFK-SNVBAGLBSA-N 0 1 248.330 2.085 20 0 BEADMN Cc1ccnc(NC[C@@H]2COc3cnccc32)c1 ZINC001162569862 965053293 /nfs/dbraw/zinc/05/32/93/965053293.db2.gz YDGYOHJDWGQEEQ-LLVKDONJSA-N 0 1 241.294 2.373 20 0 BEADMN CC(=O)NCc1ccc(NC(=N)C(C)(C)C)nc1 ZINC001162662483 965098410 /nfs/dbraw/zinc/09/84/10/965098410.db2.gz VSAQSPNNDIEHIU-UHFFFAOYSA-N 0 1 248.330 2.153 20 0 BEADMN CC(C)(C)C(=N)Nc1cnc2[nH]ccc2n1 ZINC001162664986 965101593 /nfs/dbraw/zinc/10/15/93/965101593.db2.gz ZWHXHGKZRHINSQ-UHFFFAOYSA-N 0 1 217.276 2.393 20 0 BEADMN CN(C)Cc1cccc(NCc2cccn2C)n1 ZINC001162706473 965130980 /nfs/dbraw/zinc/13/09/80/965130980.db2.gz RAESIZBMSNYERU-UHFFFAOYSA-N 0 1 244.342 2.094 20 0 BEADMN Cc1ccc(C)c(NCc2ccn(C)c(=O)c2)n1 ZINC001168395796 965147180 /nfs/dbraw/zinc/14/71/80/965147180.db2.gz IRRYKSGOTGIVDW-UHFFFAOYSA-N 0 1 243.310 2.009 20 0 BEADMN Cc1nnc(CNCC2(C3CC3)CC2)s1 ZINC000698271141 965167923 /nfs/dbraw/zinc/16/79/23/965167923.db2.gz JNAKLNOXHOWWLC-UHFFFAOYSA-N 0 1 223.345 2.126 20 0 BEADMN Cc1ccc(CNc2cc(N)c(F)cn2)cn1 ZINC001162865383 965196476 /nfs/dbraw/zinc/19/64/76/965196476.db2.gz JFXUTWFZRFEDMD-UHFFFAOYSA-N 0 1 232.262 2.118 20 0 BEADMN Cc1ccc(CNc2ccnc(C)c2F)cn1 ZINC001162874556 965203861 /nfs/dbraw/zinc/20/38/61/965203861.db2.gz BIPGVVLLBIZRAR-UHFFFAOYSA-N 0 1 231.274 2.267 20 0 BEADMN CC[C@@H](CO)Nc1cc(OC(C)C)ccn1 ZINC001163045656 965245388 /nfs/dbraw/zinc/24/53/88/965245388.db2.gz SVIJGJDLFZKHAD-JTQLQIEISA-N 0 1 224.304 2.052 20 0 BEADMN COc1ccnc(CN2CC[C@@](C)(CF)C2)c1 ZINC001231966397 965292060 /nfs/dbraw/zinc/29/20/60/965292060.db2.gz DREZGSNWCUWPSH-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN CO[C@H]1CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232549979 965380195 /nfs/dbraw/zinc/38/01/95/965380195.db2.gz OHQPCKXJDZAPOO-ZDUSSCGKSA-N 0 1 246.310 2.439 20 0 BEADMN OCCc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001232773632 965413441 /nfs/dbraw/zinc/41/34/41/965413441.db2.gz GDPHMTMFNRVCLV-KKUMJFAQSA-N 0 1 249.329 2.011 20 0 BEADMN Cc1ccc(N2CCCC[C@H]2CO)nc1C ZINC001163551472 965447320 /nfs/dbraw/zinc/44/73/20/965447320.db2.gz KDXPXULUOKURBH-LBPRGKRZSA-N 0 1 220.316 2.050 20 0 BEADMN C[C@H]1COCCN1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168427725 965460613 /nfs/dbraw/zinc/46/06/13/965460613.db2.gz PVTLABMTCXEBNO-XHDPSFHLSA-N 0 1 249.329 2.404 20 0 BEADMN CSCCCNc1cccc(CN(C)C)n1 ZINC001163871691 965613565 /nfs/dbraw/zinc/61/35/65/965613565.db2.gz VPEIYDJOQHOXAC-UHFFFAOYSA-N 0 1 239.388 2.308 20 0 BEADMN Cc1ccc(N2CCCO[C@H](C)C2)nc1C ZINC001163962239 965661131 /nfs/dbraw/zinc/66/11/31/965661131.db2.gz OVUKRLDAEQRZQW-LLVKDONJSA-N 0 1 220.316 2.314 20 0 BEADMN Cc1cc(N(C)C)nc(NC2(C)CCC2)n1 ZINC001164030466 965701594 /nfs/dbraw/zinc/70/15/94/965701594.db2.gz XLTZAIYXSNFOKI-UHFFFAOYSA-N 0 1 220.320 2.206 20 0 BEADMN Cc1cc(N(C)C)ncc1NC[C@H]1CC(C)(C)O1 ZINC001168456238 965767454 /nfs/dbraw/zinc/76/74/54/965767454.db2.gz LTXSMZSLXIOXCK-LLVKDONJSA-N 0 1 249.358 2.435 20 0 BEADMN Cc1ccc(N2CCC[C@@H](O)[C@H](C)C2)nc1C ZINC001164219626 965803400 /nfs/dbraw/zinc/80/34/00/965803400.db2.gz VPVHAANYNKHIOC-DGCLKSJQSA-N 0 1 234.343 2.296 20 0 BEADMN c1ccn(CCNc2ccc3nc[nH]c3c2)c1 ZINC001164454857 965891641 /nfs/dbraw/zinc/89/16/41/965891641.db2.gz IDVNYRZHVCYUSY-UHFFFAOYSA-N 0 1 226.283 2.477 20 0 BEADMN CN(C)Cc1cccc(NC[C@H]2CCCCO2)n1 ZINC001164689075 965946764 /nfs/dbraw/zinc/94/67/64/965946764.db2.gz CARVXPQXBOGSAU-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN CC[C@@H]1Cc2ccccc2CN1Cc1nnc[nH]1 ZINC001261639030 1169880357 /nfs/dbraw/zinc/88/03/57/1169880357.db2.gz SSLFJEIKGKQFCX-CYBMUJFWSA-N 0 1 242.326 2.142 20 0 BEADMN C[C@H](Cc1cccc(F)c1)N(C)C1COC1 ZINC001168489533 965995606 /nfs/dbraw/zinc/99/56/06/965995606.db2.gz DWIRNGVTFRODNY-SNVBAGLBSA-N 0 1 223.291 2.087 20 0 BEADMN c1ncn2cccc(NC[C@H]3CCCCO3)c12 ZINC001165239154 966001098 /nfs/dbraw/zinc/00/10/98/966001098.db2.gz BEWCVECQSWJUDU-LLVKDONJSA-N 0 1 231.299 2.315 20 0 BEADMN Cc1nc2cncc(NC[C@H]3CCCCO3)c2[nH]1 ZINC001165240176 966004100 /nfs/dbraw/zinc/00/41/00/966004100.db2.gz LQEFJFLMEPTZOL-SNVBAGLBSA-N 0 1 246.314 2.247 20 0 BEADMN CCOc1ccnc(N2CC[C@]3(CCOC3)C2)c1 ZINC001165251779 966006166 /nfs/dbraw/zinc/00/61/66/966006166.db2.gz RWBSFKNYVJXQOS-AWEZNQCLSA-N 0 1 248.326 2.097 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000699776039 966080962 /nfs/dbraw/zinc/08/09/62/966080962.db2.gz KWDHPVUYIZNDSZ-BXUZGUMPSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000699810839 966101163 /nfs/dbraw/zinc/10/11/63/966101163.db2.gz WFIGGDXNGCDWPK-KRTXAFLBSA-N 0 1 245.244 2.228 20 0 BEADMN CCOc1ccnc(N2CCCC(=O)CC2)c1 ZINC001165465111 966101645 /nfs/dbraw/zinc/10/16/45/966101645.db2.gz YYFBHHXMVGRMCA-UHFFFAOYSA-N 0 1 234.299 2.040 20 0 BEADMN ClC1(Cl)C[C@H]1CSCc1c[nH]nn1 ZINC001165555822 966125366 /nfs/dbraw/zinc/12/53/66/966125366.db2.gz WITOHLWKEXFRLP-YFKPBYRVSA-N 0 1 238.143 2.232 20 0 BEADMN COC(C)(C)CNc1ccc2nc[nH]c2c1 ZINC001165853015 966173416 /nfs/dbraw/zinc/17/34/16/966173416.db2.gz JOZAVWKISYLOBQ-UHFFFAOYSA-N 0 1 219.288 2.400 20 0 BEADMN COCC(C)(C)Nc1cc(C)c2nc[nH]c2n1 ZINC001165983893 966225331 /nfs/dbraw/zinc/22/53/31/966225331.db2.gz TZCYWRAIVCDHRN-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN COCC(C)(C)Nc1ccncc1C(F)(F)F ZINC001166003096 966232814 /nfs/dbraw/zinc/23/28/14/966232814.db2.gz VEKJCBIZXGVJBJ-UHFFFAOYSA-N 0 1 248.248 2.359 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)CCN1CC[C@H](F)C1 ZINC001166453647 966280827 /nfs/dbraw/zinc/28/08/27/966280827.db2.gz KOZKFEXFELSEBL-NEPJUHHUSA-N 0 1 244.354 2.067 20 0 BEADMN CC[C@H](C)N(CC)C(=O)CCN1CC[C@@H](F)C1 ZINC001166453648 966281562 /nfs/dbraw/zinc/28/15/62/966281562.db2.gz KOZKFEXFELSEBL-NWDGAFQWSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C2/CC[C@H](C)C2)c1C ZINC001123902323 966308338 /nfs/dbraw/zinc/30/83/38/966308338.db2.gz UKZMAEFMJPCUJN-PPLKPFPSSA-N 0 1 247.342 2.389 20 0 BEADMN C[C@@H]1CN(CC=C(Cl)Cl)C[C@@]1(C)CO ZINC000694654213 966369366 /nfs/dbraw/zinc/36/93/66/966369366.db2.gz KVWBOBDUGZCMCA-SCZZXKLOSA-N 0 1 238.158 2.256 20 0 BEADMN Cc1cnc(N2CCCCC23COC3)cc1C ZINC001166696296 966370957 /nfs/dbraw/zinc/37/09/57/966370957.db2.gz PDPRIQABWLWTTA-UHFFFAOYSA-N 0 1 232.327 2.458 20 0 BEADMN Cc1ccc(N2CCC[C@H](CCO)C2)nc1C ZINC001166847279 966427082 /nfs/dbraw/zinc/42/70/82/966427082.db2.gz AXEUOHLRTQDYKI-CYBMUJFWSA-N 0 1 234.343 2.297 20 0 BEADMN OC[C@@]1(F)CCN(Cc2cccc3occc32)C1 ZINC001236735996 966526036 /nfs/dbraw/zinc/52/60/36/966526036.db2.gz WMFDXXJSTTVTFI-CQSZACIVSA-N 0 1 249.285 2.339 20 0 BEADMN CCc1cc(CN(CCOC)C(C)C)on1 ZINC001203218150 966563916 /nfs/dbraw/zinc/56/39/16/966563916.db2.gz AVZLVZPIZXCUFT-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN CCOC(=O)c1ncsc1Nc1cnoc1 ZINC001203234520 966574436 /nfs/dbraw/zinc/57/44/36/966574436.db2.gz ROCAQKISNYBWNK-UHFFFAOYSA-N 0 1 239.256 2.051 20 0 BEADMN c1coc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001203272249 966590482 /nfs/dbraw/zinc/59/04/82/966590482.db2.gz DCIDZYPUKKPCHW-AAEUAGOBSA-N 0 1 221.300 2.281 20 0 BEADMN Fc1cnc(NC2=CCOC2)c(Cl)c1 ZINC001203385703 966614586 /nfs/dbraw/zinc/61/45/86/966614586.db2.gz CSTMCJNSFRVJOX-UHFFFAOYSA-N 0 1 214.627 2.200 20 0 BEADMN COC(=O)C1(C)CCN(Cc2ccco2)CC1 ZINC001203278199 966596613 /nfs/dbraw/zinc/59/66/13/966596613.db2.gz GHJCIEJXMRDCNF-UHFFFAOYSA-N 0 1 237.299 2.055 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)nc1C ZINC001203369334 966617809 /nfs/dbraw/zinc/61/78/09/966617809.db2.gz PEWDRRARUGNYFM-UHFFFAOYSA-N 0 1 216.288 2.484 20 0 BEADMN c1nc(N=C2CCOC2)cn1CC1CCC1 ZINC001203385796 966626069 /nfs/dbraw/zinc/62/60/69/966626069.db2.gz GAFGIOSKQGOFCU-UHFFFAOYSA-N 0 1 219.288 2.009 20 0 BEADMN Cc1ncn(C)c1Nc1cc(C)cnc1C ZINC001203657324 966719607 /nfs/dbraw/zinc/71/96/07/966719607.db2.gz LDTWJVCLZOCRRN-UHFFFAOYSA-N 0 1 216.288 2.484 20 0 BEADMN Cc1ccccc1CN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001203700219 966735802 /nfs/dbraw/zinc/73/58/02/966735802.db2.gz NKGZDAATLXETEC-UONOGXRCSA-N 0 1 237.318 2.290 20 0 BEADMN Cc1ccccc1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001203700401 966736419 /nfs/dbraw/zinc/73/64/19/966736419.db2.gz WUPVIWXMARYFNH-JSGCOSHPSA-N 0 1 237.318 2.147 20 0 BEADMN Cc1ccccc1CN1CCc2ncn(C)c2C1 ZINC001203707946 966741465 /nfs/dbraw/zinc/74/14/65/966741465.db2.gz AMHFSSOPIBIBEA-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN COc1ccc(CN2CC[C@H]2C)cc1F ZINC001203790576 966781562 /nfs/dbraw/zinc/78/15/62/966781562.db2.gz KWHXQMLASVLTGJ-SECBINFHSA-N 0 1 209.264 2.429 20 0 BEADMN Cc1cccc(CN2CCCC23COC3)c1 ZINC001203892087 966813596 /nfs/dbraw/zinc/81/35/96/966813596.db2.gz TVRNDGRDLLEZKO-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN Cc1cccc(CN2CCc3c(cnn3C)C2)c1 ZINC001203893160 966813952 /nfs/dbraw/zinc/81/39/52/966813952.db2.gz YUOUSSGFDWAYRO-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN C[C@@H]1CN(Cc2ccnc3[nH]ccc32)[C@H](C)CO1 ZINC001142882008 966827110 /nfs/dbraw/zinc/82/71/10/966827110.db2.gz ABQFGECEJRSUGG-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1nnc(C2CCN(Cc3ccc[nH]3)CC2)o1 ZINC001204011631 966851311 /nfs/dbraw/zinc/85/13/11/966851311.db2.gz XQDCKBSMIIHJJY-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CCc1cc(CN2CCC[C@@H]3C[C@@H]32)on1 ZINC001203229066 966854329 /nfs/dbraw/zinc/85/43/29/966854329.db2.gz TVVMSHCSECLXNF-SKDRFNHKSA-N 0 1 206.289 2.221 20 0 BEADMN c1cc(CN2CC3(CSC3)C2)cs1 ZINC001204044007 966868436 /nfs/dbraw/zinc/86/84/36/966868436.db2.gz DOIIBFJYILXTPV-UHFFFAOYSA-N 0 1 211.355 2.297 20 0 BEADMN FC(F)CCNCc1cnc(C2CC2)o1 ZINC001204048273 966870802 /nfs/dbraw/zinc/87/08/02/966870802.db2.gz QBFOPVKDEVKDCU-UHFFFAOYSA-N 0 1 216.231 2.297 20 0 BEADMN FC1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001204050901 966871611 /nfs/dbraw/zinc/87/16/11/966871611.db2.gz AGMNCDBXHPGJCB-UHFFFAOYSA-N 0 1 237.274 2.349 20 0 BEADMN Cc1cccc(CN2CCC[C@]3(CCO3)C2)n1 ZINC001204067919 966876161 /nfs/dbraw/zinc/87/61/61/966876161.db2.gz NNADVIIULPKELS-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN Cc1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001204067080 966877361 /nfs/dbraw/zinc/87/73/61/966877361.db2.gz KRUSUYIIQNWTDR-DZGCQCFKSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2cccnc2)C1 ZINC001204072745 966882560 /nfs/dbraw/zinc/88/25/60/966882560.db2.gz WSCFLTHGGQHICI-JQWIXIFHSA-N 0 1 208.280 2.262 20 0 BEADMN Cc1ccc(CN(C)C2(C)COC2)cc1 ZINC001204173877 966913624 /nfs/dbraw/zinc/91/36/24/966913624.db2.gz FRCZBSKICGFZBM-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN CN1CCc2c(F)cc(C3=CCOC3)cc2C1 ZINC001239495649 966928293 /nfs/dbraw/zinc/92/82/93/966928293.db2.gz XWIMENBBOIYTEJ-UHFFFAOYSA-N 0 1 233.286 2.227 20 0 BEADMN FC1(F)CO[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC001204243614 966943142 /nfs/dbraw/zinc/94/31/42/966943142.db2.gz AWXDNQNNANEXEZ-NSHDSACASA-N 0 1 243.253 2.280 20 0 BEADMN C[C@@H]1CC[C@H](Nc2nccnc2CN)[C@@H](C)C1 ZINC001336514261 1169899538 /nfs/dbraw/zinc/89/95/38/1169899538.db2.gz SSWRZHZAEHWCML-VWYCJHECSA-N 0 1 234.347 2.172 20 0 BEADMN C[C@@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC001204315649 966968808 /nfs/dbraw/zinc/96/88/08/966968808.db2.gz VOCRPYKQEFNWAX-GFCCVEGCSA-N 0 1 244.338 2.399 20 0 BEADMN Cc1csc(CN2CC[C@@H](C)[C@@H](O)CC2)n1 ZINC001204374716 966987125 /nfs/dbraw/zinc/98/71/25/966987125.db2.gz PEVSZPAPDOLGOE-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN CCc1ccc(CN2CC([C@H](C)OC)C2)o1 ZINC001204394447 966991906 /nfs/dbraw/zinc/99/19/06/966991906.db2.gz OGKIWABNIHBEHW-JTQLQIEISA-N 0 1 223.316 2.309 20 0 BEADMN Cc1c(F)cccc1CN1CC2(C1)CCOC2 ZINC001204506267 967011714 /nfs/dbraw/zinc/01/17/14/967011714.db2.gz HFRQLNZPFFYISQ-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN Cc1cc(CN2CCN(C)[C@H](C)C2)oc1C ZINC001204532609 967030425 /nfs/dbraw/zinc/03/04/25/967030425.db2.gz FHKZKJGJLZZTBO-LLVKDONJSA-N 0 1 222.332 2.032 20 0 BEADMN COC(=O)c1cc(Nc2nnco2)c(C)cc1C ZINC001249809876 967078190 /nfs/dbraw/zinc/07/81/90/967078190.db2.gz OCLCFXMIONSWEN-UHFFFAOYSA-N 0 1 247.254 2.217 20 0 BEADMN Cc1nc[nH]c1CN1CCC[C@H](C(F)F)C1 ZINC001204590549 967086994 /nfs/dbraw/zinc/08/69/94/967086994.db2.gz RVWWRYHZILTCNL-VIFPVBQESA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN[C@H]2COc3ccc(C)cc32)n[nH]1 ZINC001116286446 967104396 /nfs/dbraw/zinc/10/43/96/967104396.db2.gz OGRDJODVHNCHFC-ZDUSSCGKSA-N 0 1 243.310 2.250 20 0 BEADMN Fc1ccc(F)c(-c2cc3c(nn2)CNC3)c1 ZINC001239710314 967104548 /nfs/dbraw/zinc/10/45/48/967104548.db2.gz SQOYCCQGDNTXBQ-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1nc(CO)cs1 ZINC001204657532 967122021 /nfs/dbraw/zinc/12/20/21/967122021.db2.gz HKFOBPRPNWBILS-NSHDSACASA-N 0 1 240.372 2.256 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC#N)nc1 ZINC001168625974 967122137 /nfs/dbraw/zinc/12/21/37/967122137.db2.gz IMFHEDPAVNVWGB-LLVKDONJSA-N 0 1 230.315 2.349 20 0 BEADMN CN[C@H](c1nc(-c2ccccn2)no1)C(C)(C)C ZINC001204895888 967219948 /nfs/dbraw/zinc/21/99/48/967219948.db2.gz XGMLXWMJGRIRBK-SNVBAGLBSA-N 0 1 246.314 2.438 20 0 BEADMN CCN(CC)C(=O)Cc1cc2cn[nH]c2cc1C ZINC001250011348 967269965 /nfs/dbraw/zinc/26/99/65/967269965.db2.gz CYYJDFHCYASBOR-UHFFFAOYSA-N 0 1 245.326 2.282 20 0 BEADMN Cc1nc2ccc(NCCCOC(C)C)nc2[nH]1 ZINC001168681084 967292467 /nfs/dbraw/zinc/29/24/67/967292467.db2.gz KFIVTSMEDQAQSD-UHFFFAOYSA-N 0 1 248.330 2.493 20 0 BEADMN CC(C)OCCCNc1ccnc2[nH]cnc21 ZINC001168681235 967299480 /nfs/dbraw/zinc/29/94/80/967299480.db2.gz RCFFOWREWGYNTG-UHFFFAOYSA-N 0 1 234.303 2.185 20 0 BEADMN CCCC(=O)NCCN(C/C=C/Cl)CCC ZINC001317538770 1169905234 /nfs/dbraw/zinc/90/52/34/1169905234.db2.gz MNCXFQVPJZLNMZ-FNORWQNLSA-N 0 1 246.782 2.367 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc(C)c1O ZINC000006233177 967493042 /nfs/dbraw/zinc/49/30/42/967493042.db2.gz VBGCOGGXMUBXOA-GFCCVEGCSA-N 0 1 249.310 2.058 20 0 BEADMN CC1(C)OC[C@H](Cc2ccc3nc[nH]c3c2)O1 ZINC001250187059 967496775 /nfs/dbraw/zinc/49/67/75/967496775.db2.gz ULBDMOOVPHTGOC-JTQLQIEISA-N 0 1 232.283 2.257 20 0 BEADMN COc1c(F)c(Cl)ccc1-n1cncc1N ZINC001250192220 967497264 /nfs/dbraw/zinc/49/72/64/967497264.db2.gz SCNZHYDMGFZDNF-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN COc1c(F)ccc(Nc2nccn2C)c1F ZINC001212493052 967521986 /nfs/dbraw/zinc/52/19/86/967521986.db2.gz QEVIYXPQJVYMBI-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1ccc(F)cc1F ZINC001250247911 967558829 /nfs/dbraw/zinc/55/88/29/967558829.db2.gz SIZMMPKLMZDGQX-UHFFFAOYSA-N 0 1 236.221 2.422 20 0 BEADMN c1nc2ccc(-c3cccc4nc[nH]c43)cn2n1 ZINC001240354211 967566109 /nfs/dbraw/zinc/56/61/09/967566109.db2.gz JQXLUBNTQDBAOH-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1ncccc1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001205383142 967611056 /nfs/dbraw/zinc/61/10/56/967611056.db2.gz JIKIJUYWKKHWES-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN CCOc1ccc(-n2cncc2N)cc1CC ZINC001250283788 967620652 /nfs/dbraw/zinc/62/06/52/967620652.db2.gz POMYWJRKCKWBLS-UHFFFAOYSA-N 0 1 231.299 2.416 20 0 BEADMN COCCCc1ccc(N2CCN(C)CC2)cc1 ZINC001250300125 967637326 /nfs/dbraw/zinc/63/73/26/967637326.db2.gz LDJZOWZNIKSYSI-UHFFFAOYSA-N 0 1 248.370 2.017 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000140640683 967646742 /nfs/dbraw/zinc/64/67/42/967646742.db2.gz INOSLZVSOPIORH-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN COCCCc1cccc(N2CCN(C)CC2)c1 ZINC001250303515 967647444 /nfs/dbraw/zinc/64/74/44/967647444.db2.gz WIBAXBVWFZRRKH-UHFFFAOYSA-N 0 1 248.370 2.017 20 0 BEADMN Nc1ccc2cn(-c3ccc4cncn4c3)nc2c1 ZINC001250328477 967709619 /nfs/dbraw/zinc/70/96/19/967709619.db2.gz MQMWMGOJDYBTAF-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN FCCn1nccc1Nc1ccc2cncn2c1 ZINC001250328559 967713566 /nfs/dbraw/zinc/71/35/66/967713566.db2.gz TYMUFRVRHAQUKK-UHFFFAOYSA-N 0 1 245.261 2.244 20 0 BEADMN CCc1nccnc1Nc1ccc2cncn2c1 ZINC001250327034 967714156 /nfs/dbraw/zinc/71/41/56/967714156.db2.gz GVIGPUTYIKHBQL-UHFFFAOYSA-N 0 1 239.282 2.430 20 0 BEADMN Cc1nc2ccc(Cc3nnc(C)o3)cc2[nH]1 ZINC001250337890 967725512 /nfs/dbraw/zinc/72/55/12/967725512.db2.gz LVGWSEBIPOOCEI-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](C)CC2COC2)c1 ZINC001205655634 967750829 /nfs/dbraw/zinc/75/08/29/967750829.db2.gz TUYAFLUUVVSWGU-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN CSC1CCN(Cc2cnoc2)CC1 ZINC001205704232 967791980 /nfs/dbraw/zinc/79/19/80/967791980.db2.gz UYUVUYPJLMUXIW-UHFFFAOYSA-N 0 1 212.318 2.002 20 0 BEADMN COc1ccccc1CCN(C)Cc1cnoc1 ZINC001205703825 967793316 /nfs/dbraw/zinc/79/33/16/967793316.db2.gz LIYDADIHKMHXIZ-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN c1ncn2cc(CC3CCOCC3)ccc12 ZINC001250396580 967812020 /nfs/dbraw/zinc/81/20/20/967812020.db2.gz LAYOALANGKZYLZ-UHFFFAOYSA-N 0 1 216.284 2.303 20 0 BEADMN Cc1occc1C[N@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701576858 967815865 /nfs/dbraw/zinc/81/58/65/967815865.db2.gz IHHAHKADBHSLRL-OCCSQVGLSA-N 0 1 249.310 2.275 20 0 BEADMN CC(C)Cn1cc(Nc2cncn2C)cn1 ZINC001205844173 967851159 /nfs/dbraw/zinc/85/11/59/967851159.db2.gz MKEFOQHPJPFMSE-UHFFFAOYSA-N 0 1 219.292 2.016 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c([C@H]3CCOC3)nc21 ZINC001250433662 967851451 /nfs/dbraw/zinc/85/14/51/967851451.db2.gz VOKPYQMXFBFOTL-YFKPBYRVSA-N 0 1 242.200 2.484 20 0 BEADMN Cc1cnccc1CN1CC(c2cccnc2)C1 ZINC001205862496 967860526 /nfs/dbraw/zinc/86/05/26/967860526.db2.gz DWLOMYWFILAMFA-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc(O)c1F ZINC001212545979 967861340 /nfs/dbraw/zinc/86/13/40/967861340.db2.gz ZEXWNJQGQISOKH-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Cn1cncc1Nc1cccc(O)c1F ZINC001212546902 967863922 /nfs/dbraw/zinc/86/39/22/967863922.db2.gz ABSJMKFNVLXZNX-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN c1[nH]nnc1-c1nc2ccccc2n1C1CC1 ZINC001250441311 967864645 /nfs/dbraw/zinc/86/46/45/967864645.db2.gz NBGVVNGPISGPGO-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN Cc1ccc(Cl)c2nc(-c3c[nH]nn3)[nH]c21 ZINC001250441766 967865324 /nfs/dbraw/zinc/86/53/24/967865324.db2.gz VWPWHFMBOAKGKM-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN CSCCCNc1ncc(C)cc1N ZINC000085425985 967879429 /nfs/dbraw/zinc/87/94/29/967879429.db2.gz MRPWQVNJZXAVDJ-UHFFFAOYSA-N 0 1 211.334 2.137 20 0 BEADMN CC(C)(C)N1CC(OC[C@H]2CCCCO2)C1 ZINC001205918841 967885898 /nfs/dbraw/zinc/88/58/98/967885898.db2.gz YIGKEOWIJZFBAY-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN COc1cc2nc(-c3ncc[nH]3)[nH]c2cc1F ZINC001250470152 967892929 /nfs/dbraw/zinc/89/29/29/967892929.db2.gz RDOTXFCYMZDWAP-UHFFFAOYSA-N 0 1 232.218 2.101 20 0 BEADMN Cc1c2[nH]c(-c3ncc[nH]3)nc2ccc1F ZINC001250469559 967894099 /nfs/dbraw/zinc/89/40/99/967894099.db2.gz HHGYIACNPIZLDV-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302433015 967915071 /nfs/dbraw/zinc/91/50/71/967915071.db2.gz ACOQSRSLMSADHZ-IJLUTSLNSA-N 0 1 248.326 2.185 20 0 BEADMN CN(C)Cc1cccc(-c2ncc(F)cn2)c1F ZINC001250478154 967915872 /nfs/dbraw/zinc/91/58/72/967915872.db2.gz ZELVYNYUOPOIMV-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN COc1cc2[nH]c(-c3cncn3C)nc2cc1C ZINC001250492212 967960940 /nfs/dbraw/zinc/96/09/40/967960940.db2.gz MGIDNZUHNGLNAE-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Cc1cnc(-c2cc(F)c(O)c(F)c2)nc1 ZINC001250496175 967979174 /nfs/dbraw/zinc/97/91/74/967979174.db2.gz GQEYVLWEYZCGKH-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN COc1ccc2c(c1)nc(-c1[nH]cnc1C)n2C ZINC001250498497 967985080 /nfs/dbraw/zinc/98/50/80/967985080.db2.gz PJWGPOZNZUOKDA-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Cc1c2[nH]c(-c3c[nH]cn3)nc2ccc1F ZINC001250499996 967986575 /nfs/dbraw/zinc/98/65/75/967986575.db2.gz NTORTMKKFVSSNU-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Cc1c2[nH]c(-c3ccn(C)n3)nc2ccc1F ZINC001250511017 968009058 /nfs/dbraw/zinc/00/90/58/968009058.db2.gz AXVRIOHJXYQDLK-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1c2[nH]c(-c3cn(C)cn3)nc2ccc1F ZINC001250511460 968011263 /nfs/dbraw/zinc/01/12/63/968011263.db2.gz HXMPQYJCFARSOU-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1ccc2nc(-c3ncccn3)[nH]c2c1 ZINC001250524670 968028846 /nfs/dbraw/zinc/02/88/46/968028846.db2.gz VQEWDXMUMSOVHT-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COC(OC)c1nc2ccc(F)c(C)c2[nH]1 ZINC001250540178 968043881 /nfs/dbraw/zinc/04/38/81/968043881.db2.gz FVDSWBZXUKPOOZ-UHFFFAOYSA-N 0 1 224.235 2.302 20 0 BEADMN Clc1ccc(CNC2CSC2)o1 ZINC000698167684 968056004 /nfs/dbraw/zinc/05/60/04/968056004.db2.gz LMJYABFVJNREMA-UHFFFAOYSA-N 0 1 203.694 2.138 20 0 BEADMN CCOc1ccc2nc(C3(C)COC3)[nH]c2c1 ZINC001250559203 968072962 /nfs/dbraw/zinc/07/29/62/968072962.db2.gz XXXCZFWERYIRBS-UHFFFAOYSA-N 0 1 232.283 2.250 20 0 BEADMN CN(C)Cc1nc2ccc(N3CCCC3)cc2[nH]1 ZINC001250565842 968077705 /nfs/dbraw/zinc/07/77/05/968077705.db2.gz WAVBRFXXFQQRBU-UHFFFAOYSA-N 0 1 244.342 2.225 20 0 BEADMN CCOc1ccnc(N2CC(C)(C)C2)c1 ZINC001163725080 968105693 /nfs/dbraw/zinc/10/56/93/968105693.db2.gz YJOALUYCBIUPSX-UHFFFAOYSA-N 0 1 206.289 2.327 20 0 BEADMN CC(C)SCC[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000383188595 968109264 /nfs/dbraw/zinc/10/92/64/968109264.db2.gz TUKBJBXERNQDDD-SECBINFHSA-N 0 1 231.361 2.066 20 0 BEADMN COCCc1nc2cc(C)c(OC)cc2[nH]1 ZINC001250594687 968125440 /nfs/dbraw/zinc/12/54/40/968125440.db2.gz IZWWKGGBUIOUPY-UHFFFAOYSA-N 0 1 220.272 2.069 20 0 BEADMN Cc1ncn(C)c1Nc1ccccc1O ZINC001206208112 968140288 /nfs/dbraw/zinc/14/02/88/968140288.db2.gz RIQSZIZFDMXPOX-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CN(C)c1ccc2nc(-c3cnccn3)[nH]c2c1 ZINC001250629836 968173922 /nfs/dbraw/zinc/17/39/22/968173922.db2.gz OVZKWVYHHSFAOB-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)c(O)c1 ZINC001206262372 968180051 /nfs/dbraw/zinc/18/00/51/968180051.db2.gz WOSJIUGMXFAGRB-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN c1nnc(CSCc2cc(C3CC3)no2)[nH]1 ZINC001118600715 968188411 /nfs/dbraw/zinc/18/84/11/968188411.db2.gz NGQOSWTYWYXVCD-UHFFFAOYSA-N 0 1 236.300 2.104 20 0 BEADMN CC1(C2(NCc3nc(CO)cs3)CC2)CC1 ZINC000723173376 968201395 /nfs/dbraw/zinc/20/13/95/968201395.db2.gz PZRXJAMFVFPDMJ-UHFFFAOYSA-N 0 1 238.356 2.058 20 0 BEADMN COc1cc2nc(-c3cccnn3)[nH]c2cc1F ZINC001250828477 968205673 /nfs/dbraw/zinc/20/56/73/968205673.db2.gz NQVFDTKGTSDCGN-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1cc2nc(-c3ccnnc3)[nH]c2cc1F ZINC001250830964 968205607 /nfs/dbraw/zinc/20/56/07/968205607.db2.gz PNUAFROEJQVJPK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cc2nc(-c3ccncn3)[nH]c2cc1F ZINC001250863503 968208975 /nfs/dbraw/zinc/20/89/75/968208975.db2.gz GKVQVFOWEPYQKK-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ccc2nc(-c3ccc(CO)o3)[nH]c2c1 ZINC001250892880 968210480 /nfs/dbraw/zinc/21/04/80/968210480.db2.gz LBQLPKOBUGWGKK-UHFFFAOYSA-N 0 1 244.250 2.324 20 0 BEADMN COc1cc2[nH]c(-c3ccncn3)nc2cc1C ZINC001250863935 968211310 /nfs/dbraw/zinc/21/13/10/968211310.db2.gz PYSWZGLHLUCCRX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(-c2nc3ccc(C)cc3[nH]2)n1 ZINC001250896526 968212654 /nfs/dbraw/zinc/21/26/54/968212654.db2.gz ZNRHRKJDQWTHRP-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1ccc(C)c(NC[C@@H](O)C(F)(F)F)n1 ZINC001250963851 968227776 /nfs/dbraw/zinc/22/77/76/968227776.db2.gz TWOZQRGLHFYLPV-MRVPVSSYSA-N 0 1 234.221 2.034 20 0 BEADMN Cc1nnc(SC[C@@H]2CC(C)(C)CO2)[nH]1 ZINC001118985226 968260945 /nfs/dbraw/zinc/26/09/45/968260945.db2.gz OIAGSFJUUIQWPJ-QMMMGPOBSA-N 0 1 227.333 2.020 20 0 BEADMN CC(C)CCn1[nH]c2c(c1=O)CC[C@@H]2C ZINC001119002220 968265323 /nfs/dbraw/zinc/26/53/23/968265323.db2.gz IDXTVPDYSSQOIM-UWVGGRQHSA-N 0 1 208.305 2.277 20 0 BEADMN COc1ncc(C[N@H+]2CCC23CCCC3)cn1 ZINC001206386643 968273281 /nfs/dbraw/zinc/27/32/81/968273281.db2.gz DPOWPWZHKDFFKS-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN COc1ncc(CN2CCC23CCCC3)cn1 ZINC001206386643 968273289 /nfs/dbraw/zinc/27/32/89/968273289.db2.gz DPOWPWZHKDFFKS-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CCOc1ccnc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001165367462 968285460 /nfs/dbraw/zinc/28/54/60/968285460.db2.gz ZZKVJDHGIMTOMV-ZMLRMANQSA-N 0 1 236.290 2.275 20 0 BEADMN COc1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cn1 ZINC001206409782 968285538 /nfs/dbraw/zinc/28/55/38/968285538.db2.gz MKSHCRCZOITCBN-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cn1 ZINC001206410261 968286074 /nfs/dbraw/zinc/28/60/74/968286074.db2.gz NJXYPYYEIJWXQC-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN COc1ncc(CN2CC[C@@H](C)C[C@@H]2C)cn1 ZINC001206410261 968286079 /nfs/dbraw/zinc/28/60/79/968286079.db2.gz NJXYPYYEIJWXQC-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)c1nc(NC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC001251471907 968289981 /nfs/dbraw/zinc/28/99/81/968289981.db2.gz MULPTECRQRGCIW-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C[C@H](C)C2CC2)n1 ZINC001251471907 968289990 /nfs/dbraw/zinc/28/99/90/968289990.db2.gz MULPTECRQRGCIW-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001251472384 968290384 /nfs/dbraw/zinc/29/03/84/968290384.db2.gz UIXWQCJNSRMROS-GHMZBOCLSA-N 0 1 233.315 2.062 20 0 BEADMN C1=C[C@@H](NCc2cc3c(cn2)OCCO3)CCC1 ZINC001119241855 968293441 /nfs/dbraw/zinc/29/34/41/968293441.db2.gz NIOGAFICSVZQGI-LLVKDONJSA-N 0 1 246.310 2.051 20 0 BEADMN Clc1ccc2nc(-c3nc[nH]n3)[nH]c2c1 ZINC001251628021 968296946 /nfs/dbraw/zinc/29/69/46/968296946.db2.gz KTSUVDSWTQRSNP-UHFFFAOYSA-N 0 1 219.635 2.001 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2=CCCC2)[C@H]1C(=O)[O-] ZINC000401122173 968300919 /nfs/dbraw/zinc/30/09/19/968300919.db2.gz OEYVNRUECIBSCO-CMPLNLGQSA-N 0 1 223.316 2.282 20 0 BEADMN CC[C@@H](O)CNc1ccc2[nH]c(C)nc2c1 ZINC001251784290 968327558 /nfs/dbraw/zinc/32/75/58/968327558.db2.gz GHOUHJDMEVZSRD-SNVBAGLBSA-N 0 1 219.288 2.054 20 0 BEADMN CC[C@@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001251799632 968335602 /nfs/dbraw/zinc/33/56/02/968335602.db2.gz LJVHWVJXTCTGSF-SSDOTTSWSA-N 0 1 249.688 2.479 20 0 BEADMN Cc1nonc1-c1nc2cccc(C)c2[nH]1 ZINC001251802155 968339505 /nfs/dbraw/zinc/33/95/05/968339505.db2.gz DSNRHSQCONGRKZ-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CC[C@@H](O)CNCc1cnc(Cl)cc1Cl ZINC001251805885 968341176 /nfs/dbraw/zinc/34/11/76/968341176.db2.gz AOVHUEDQBQKIKU-MRVPVSSYSA-N 0 1 249.141 2.249 20 0 BEADMN Cc1nc2cnc(N3CCC[C@H](C)[C@@H]3C)nc2[nH]1 ZINC001166612787 968347557 /nfs/dbraw/zinc/34/75/57/968347557.db2.gz QEAPTTQLUICVBM-IUCAKERBSA-N 0 1 245.330 2.238 20 0 BEADMN Nc1cc(Nc2c([O-])cc(F)cc2F)cc[nH+]1 ZINC001206550523 968374771 /nfs/dbraw/zinc/37/47/71/968374771.db2.gz STWQSZUTFIQKDX-UHFFFAOYSA-N 0 1 237.209 2.391 20 0 BEADMN COc1ncccc1CN1CC[C@](C)(CF)C1 ZINC001206553630 968375670 /nfs/dbraw/zinc/37/56/70/968375670.db2.gz DAEVBHAGWLAQHJ-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN C[C@H](O)CN1CCC[C@@H]1c1c(F)cccc1F ZINC001251963424 968403409 /nfs/dbraw/zinc/40/34/09/968403409.db2.gz WCFJOOGMURYWIV-JOYOIKCWSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](O)CNc1cc2n[nH]cc2c(Cl)c1 ZINC001251966203 968405542 /nfs/dbraw/zinc/40/55/42/968405542.db2.gz FHCYGDMKMAWFGA-LURJTMIESA-N 0 1 225.679 2.009 20 0 BEADMN Cn1ccnc1CNCCSC(C)(C)C ZINC000163878496 968407071 /nfs/dbraw/zinc/40/70/71/968407071.db2.gz TULOGAASLADZFI-UHFFFAOYSA-N 0 1 227.377 2.041 20 0 BEADMN COc1cccnc1C[N@@H+](C)CC(C)C ZINC001206611595 968418812 /nfs/dbraw/zinc/41/88/12/968418812.db2.gz XJJKGQKLVRCQAV-UHFFFAOYSA-N 0 1 208.305 2.178 20 0 BEADMN O[C@H](CN1C[C@@H]2C[C@@H]2[C@H](F)C1)c1ccccc1 ZINC001251984327 968424613 /nfs/dbraw/zinc/42/46/13/968424613.db2.gz FSRYOAAPAMEZTB-IGQOVBAYSA-N 0 1 235.302 2.010 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)CCCC1=O ZINC001251984065 968425095 /nfs/dbraw/zinc/42/50/95/968425095.db2.gz YHZHAYMWFGQSCQ-IUODEOHRSA-N 0 1 247.338 2.021 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1F ZINC001251984120 968425370 /nfs/dbraw/zinc/42/53/70/968425370.db2.gz ZYRZYWQJDXLATL-KGYLQXTDSA-N 0 1 223.291 2.010 20 0 BEADMN O[C@H](CNCc1cc(F)ccn1)c1ccccc1 ZINC001252013006 968435763 /nfs/dbraw/zinc/43/57/63/968435763.db2.gz JTIHRCLDHBSJKS-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN O[C@H](CNCOc1ccccc1)c1ccccc1 ZINC001252012652 968436367 /nfs/dbraw/zinc/43/63/67/968436367.db2.gz FLAWKHFKMZFYCE-OAHLLOKOSA-N 0 1 243.306 2.346 20 0 BEADMN COc1nccnc1-c1cc(F)c(O)cc1F ZINC001206748108 968453980 /nfs/dbraw/zinc/45/39/80/968453980.db2.gz DTJUBRLRYOUGCV-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cn1cncc1Nc1cc(O)cc(F)c1 ZINC001206766114 968462779 /nfs/dbraw/zinc/46/27/79/968462779.db2.gz BRUWBFUOMJBDRB-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Cc1nnc(CNC2CC3(CC3(F)F)C2)s1 ZINC001119973860 968492959 /nfs/dbraw/zinc/49/29/59/968492959.db2.gz GEULERPUJCAWNC-UHFFFAOYSA-N 0 1 245.298 2.124 20 0 BEADMN Cc1ccnc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001206847624 968495142 /nfs/dbraw/zinc/49/51/42/968495142.db2.gz YPSZJAPSPAPRHY-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN COc1cncc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001206994694 968532349 /nfs/dbraw/zinc/53/23/49/968532349.db2.gz DGQKFAQJVIVFEZ-GMXVVIOVSA-N 0 1 236.290 2.023 20 0 BEADMN c1cnc(CN2CC[C@H]3CCC[C@H]3C2)nc1 ZINC001207011329 968550877 /nfs/dbraw/zinc/55/08/77/968550877.db2.gz FUBKIQPIDUTYET-NEPJUHHUSA-N 0 1 217.316 2.099 20 0 BEADMN Fc1cncc(CN2CCc3cnccc3C2)c1 ZINC001207017462 968555218 /nfs/dbraw/zinc/55/52/18/968555218.db2.gz YBIOUNWLRMMOKS-UHFFFAOYSA-N 0 1 243.285 2.174 20 0 BEADMN c1cnc(CN(C2CCC2)C2CCOCC2)nc1 ZINC001207019690 968558248 /nfs/dbraw/zinc/55/82/48/968558248.db2.gz SESLKWMEZZLFEC-UHFFFAOYSA-N 0 1 247.342 2.010 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CCCC[C@H]2C)c1C ZINC000716199374 968565223 /nfs/dbraw/zinc/56/52/23/968565223.db2.gz MORVIZLHQLLGIP-BXKDBHETSA-N 0 1 249.358 2.469 20 0 BEADMN C[C@@]1(CF)CCN(Cc2ccc(F)cn2)C1 ZINC001207037899 968568046 /nfs/dbraw/zinc/56/80/46/968568046.db2.gz BOPFXOCXGDITLU-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN c1nc(CN2C3CCC2CC3)n2ccccc12 ZINC001207052912 968586356 /nfs/dbraw/zinc/58/63/56/968586356.db2.gz GTGUMCXUACTZDC-UHFFFAOYSA-N 0 1 227.311 2.461 20 0 BEADMN CCCC[C@H](O)CN[C@@H](C)c1nccs1 ZINC001252112036 968594264 /nfs/dbraw/zinc/59/42/64/968594264.db2.gz HZHAZWMJFYRPKY-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CCc1nccc(CN2CC[C@](C)(CF)C2)n1 ZINC001207085214 968619931 /nfs/dbraw/zinc/61/99/31/968619931.db2.gz WEKARVWEUDLBKN-CYBMUJFWSA-N 0 1 237.322 2.221 20 0 BEADMN CCc1nccc(CN2CC[C@@H](OC(C)C)C2)n1 ZINC001207090333 968621701 /nfs/dbraw/zinc/62/17/01/968621701.db2.gz ICROWLQPSCTWSN-CYBMUJFWSA-N 0 1 249.358 2.038 20 0 BEADMN O=c1cc(CN2Cc3ccccc3C2)cc[nH]1 ZINC001207115922 968639528 /nfs/dbraw/zinc/63/95/28/968639528.db2.gz DRMIYOGAZATULE-UHFFFAOYSA-N 0 1 226.279 2.303 20 0 BEADMN CCN(CCn1cccn1)Cc1c(C)noc1C ZINC001207139833 968648810 /nfs/dbraw/zinc/64/88/10/968648810.db2.gz NIOSOGLCSGDSJH-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN Cc1noc(C)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001207139246 968652085 /nfs/dbraw/zinc/65/20/85/968652085.db2.gz RBFPBUVAAPJOTM-PWSUYJOCSA-N 0 1 206.289 2.276 20 0 BEADMN Cc1ncccc1CN1CC2(CCC2)C1 ZINC001207147258 968655034 /nfs/dbraw/zinc/65/50/34/968655034.db2.gz BTTZUHSVZSPHBK-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN CCCn1cc(CN2CC(C)(C)C2)c(C)n1 ZINC001207159009 968663852 /nfs/dbraw/zinc/66/38/52/968663852.db2.gz CKXCRWSAGOLNDW-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN Cc1cncc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001207155247 968665727 /nfs/dbraw/zinc/66/57/27/968665727.db2.gz MYSDMCBGGVZSIX-LSDHHAIUSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1nccc(CN2CCC[C@H](C(F)F)C2)n1 ZINC001207166426 968674089 /nfs/dbraw/zinc/67/40/89/968674089.db2.gz OJLLLYGHJKVSTQ-JTQLQIEISA-N 0 1 241.285 2.262 20 0 BEADMN CC(C)n1nccc1CN1CCCC2(COC2)C1 ZINC001207170928 968678817 /nfs/dbraw/zinc/67/88/17/968678817.db2.gz JEDSORWZMQKYIO-UHFFFAOYSA-N 0 1 249.358 2.076 20 0 BEADMN C(CN1C[C@H]2C[C@@H](C1)O2)C1CCCCC1 ZINC001207261068 968702527 /nfs/dbraw/zinc/70/25/27/968702527.db2.gz KVRHRMXWIQVLIZ-BETUJISGSA-N 0 1 209.333 2.430 20 0 BEADMN CC1=CC[C@H](CCN2CC(O)C2)C1(C)C ZINC001207269397 968708478 /nfs/dbraw/zinc/70/84/78/968708478.db2.gz RJZZUCUPKHEXGZ-LLVKDONJSA-N 0 1 209.333 2.045 20 0 BEADMN FC1(F)CCC(CN2C[C@@H]3C[C@H]2CO3)CC1 ZINC001207346890 968727699 /nfs/dbraw/zinc/72/76/99/968727699.db2.gz DGUXDWBBESGWRS-QWRGUYRKSA-N 0 1 231.286 2.285 20 0 BEADMN COc1cccc(CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001207426232 968763050 /nfs/dbraw/zinc/76/30/50/968763050.db2.gz YMAOTJFPIIJDMA-BETUJISGSA-N 0 1 249.354 2.347 20 0 BEADMN COc1cccc(CCN2CCCC23COC3)c1 ZINC001207430453 968764246 /nfs/dbraw/zinc/76/42/46/968764246.db2.gz FCMMTFWJHLOISE-UHFFFAOYSA-N 0 1 247.338 2.103 20 0 BEADMN CC(C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001085542014 968790840 /nfs/dbraw/zinc/79/08/40/968790840.db2.gz NURVSSVPNMOBBG-CYBMUJFWSA-N 0 1 236.359 2.038 20 0 BEADMN COc1ccc(CCN(C)CCF)cc1 ZINC001207478515 968794310 /nfs/dbraw/zinc/79/43/10/968794310.db2.gz KOGCUVSWBSZOPW-UHFFFAOYSA-N 0 1 211.280 2.139 20 0 BEADMN Fc1ccccc1CCCN1CCO[C@H]2C[C@H]21 ZINC001207497102 968806366 /nfs/dbraw/zinc/80/63/66/968806366.db2.gz UZGKULDPPJOSOV-KGLIPLIRSA-N 0 1 235.302 2.231 20 0 BEADMN CCN(CCc1ccc(F)cc1)C1COC1 ZINC001207515012 968815271 /nfs/dbraw/zinc/81/52/71/968815271.db2.gz HIXYHMPZWPKGKN-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN Fc1ccc(CCN2CCOC[C@@H]2C2CC2)cc1 ZINC001207517467 968815663 /nfs/dbraw/zinc/81/56/63/968815663.db2.gz SIRUNHBSEFPTFL-OAHLLOKOSA-N 0 1 249.329 2.479 20 0 BEADMN COC(=O)CC1CN(CCc2cccc(C)c2)C1 ZINC001207538191 968817939 /nfs/dbraw/zinc/81/79/39/968817939.db2.gz MNUZZMSOLLZFFZ-UHFFFAOYSA-N 0 1 247.338 2.032 20 0 BEADMN COc1ccc(CCCN2CCO[C@H](C)C2)cc1 ZINC001207577115 968824618 /nfs/dbraw/zinc/82/46/18/968824618.db2.gz JKSILYGQJQJFLL-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN CC(=O)CN(C)CCCc1cccc(F)c1 ZINC001207599748 968826970 /nfs/dbraw/zinc/82/69/70/968826970.db2.gz VVKXZGJJOMLRCD-UHFFFAOYSA-N 0 1 223.291 2.279 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207615850 968834634 /nfs/dbraw/zinc/83/46/34/968834634.db2.gz MHAUWHQHNWIRSL-XQQFMLRXSA-N 0 1 229.327 2.121 20 0 BEADMN CC(=O)CN(C)CC[C@H](C)CCCC(C)(C)O ZINC001207634690 968853071 /nfs/dbraw/zinc/85/30/71/968853071.db2.gz FIYCJUKQWQLVLY-GFCCVEGCSA-N 0 1 243.391 2.475 20 0 BEADMN Cc1nc2cnc(N[C@@H]3CCCC[C@H]3F)nc2[nH]1 ZINC001155062862 968868586 /nfs/dbraw/zinc/86/85/86/968868586.db2.gz RKJBCYPCZMVBOK-RKDXNWHRSA-N 0 1 249.293 2.306 20 0 BEADMN Cc1c[nH]c(=O)c(CN[C@H](C)c2ccccn2)c1 ZINC001207730253 968869175 /nfs/dbraw/zinc/86/91/75/968869175.db2.gz VKKLKZXEXPVZKE-LLVKDONJSA-N 0 1 243.310 2.341 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941961 968889561 /nfs/dbraw/zinc/88/95/61/968889561.db2.gz USUHLABTMGXFTQ-CQSZACIVSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941960 968891043 /nfs/dbraw/zinc/89/10/43/968891043.db2.gz USUHLABTMGXFTQ-AWEZNQCLSA-N 0 1 246.354 2.161 20 0 BEADMN COc1ccnc(N2CCC[C@@H](C)C2)c1 ZINC001155200623 968923206 /nfs/dbraw/zinc/92/32/06/968923206.db2.gz HPSVXECKKADSSD-SNVBAGLBSA-N 0 1 206.289 2.327 20 0 BEADMN CN1CC(c2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC001252703288 968924986 /nfs/dbraw/zinc/92/49/86/968924986.db2.gz OCIJQHZBBYUXCL-UHFFFAOYSA-N 0 1 249.701 2.419 20 0 BEADMN CCC[C@H](O)CNc1nc2cccc(C)c2[nH]1 ZINC001252770282 968937444 /nfs/dbraw/zinc/93/74/44/968937444.db2.gz DJVJXOZWUHUIJH-JTQLQIEISA-N 0 1 233.315 2.444 20 0 BEADMN CCC[C@H](O)CNc1cnc2cccc(C)n12 ZINC001252779381 968952546 /nfs/dbraw/zinc/95/25/46/968952546.db2.gz SFKIJGURLJKUFC-NSHDSACASA-N 0 1 233.315 2.216 20 0 BEADMN CCC[C@@H](O)CNC(C)(C)C(=O)c1ccccc1 ZINC001252796849 968978463 /nfs/dbraw/zinc/97/84/63/968978463.db2.gz VQOVLHGRCZMOGY-CYBMUJFWSA-N 0 1 249.354 2.399 20 0 BEADMN O=S1CC2(CN(CCCC3CCCC3)C2)C1 ZINC001208087905 968989880 /nfs/dbraw/zinc/98/98/80/968989880.db2.gz YIYLLPMBFYZKBN-UHFFFAOYSA-N 0 1 241.400 2.021 20 0 BEADMN c1ncc(-c2cccc3[nH]nnc32)s1 ZINC001241499868 969017319 /nfs/dbraw/zinc/01/73/19/969017319.db2.gz LAVUGEIDDZMZAN-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN OCc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001241558164 969037533 /nfs/dbraw/zinc/03/75/33/969037533.db2.gz JGCAKJQIQUQFIB-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CCOc1ncc(-c2cccn3cncc23)cn1 ZINC001241553237 969038173 /nfs/dbraw/zinc/03/81/73/969038173.db2.gz LQLZSRFFOGGCNJ-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN COC(=O)CN(C)C[C@H]1CCC(C)=C[C@H]1C ZINC001208183717 969117723 /nfs/dbraw/zinc/11/77/23/969117723.db2.gz YQNDESKDIWCPRK-VXGBXAGGSA-N 0 1 225.332 2.084 20 0 BEADMN Fc1cccc(CCN2CC3(C2)CCOC3)c1 ZINC001208196262 969120798 /nfs/dbraw/zinc/12/07/98/969120798.db2.gz MMYAHHWOWBTYNT-UHFFFAOYSA-N 0 1 235.302 2.091 20 0 BEADMN CCN(CCC1CCCC1)[C@@H](C)C(=O)OC ZINC001208699593 969198549 /nfs/dbraw/zinc/19/85/49/969198549.db2.gz YOANQSFKPZVSBP-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN COc1ccc(-c2cccc3[nH]nnc32)cc1O ZINC001242173037 969213527 /nfs/dbraw/zinc/21/35/27/969213527.db2.gz PPQVMAIEEAWLJF-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCCCC[C@H](O)CN(C)Cc1ccno1 ZINC001253543336 969219056 /nfs/dbraw/zinc/21/90/56/969219056.db2.gz ZBROTAXSOLPIOF-NSHDSACASA-N 0 1 226.320 2.048 20 0 BEADMN CC/C=C\CCN(CC)[C@@H](C)C(=O)OC ZINC001208733122 969219633 /nfs/dbraw/zinc/21/96/33/969219633.db2.gz DQKVQZKYYVFRCH-TVRMLOFPSA-N 0 1 213.321 2.226 20 0 BEADMN CC(C)CCCN1CC(N2CC[C@H](F)C2)C1 ZINC001208735761 969226686 /nfs/dbraw/zinc/22/66/86/969226686.db2.gz PEODEKBZYULBSY-LBPRGKRZSA-N 0 1 228.355 2.151 20 0 BEADMN Cc1nc(Cl)ncc1NC1=CC[N@@H+](C)CC1 ZINC001208742730 969230310 /nfs/dbraw/zinc/23/03/10/969230310.db2.gz XMTMBVQTIGQTIX-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN C[C@H]1COCCN1CCCc1ccc(F)cc1 ZINC001208767799 969231220 /nfs/dbraw/zinc/23/12/20/969231220.db2.gz LOFLROHNUHJZOB-LBPRGKRZSA-N 0 1 237.318 2.479 20 0 BEADMN c1cc2c(cn1)CCN(C[C@@H]1CCC=CO1)C2 ZINC001208873876 969260719 /nfs/dbraw/zinc/26/07/19/969260719.db2.gz LNZLRGWECURYHW-AWEZNQCLSA-N 0 1 230.311 2.132 20 0 BEADMN Cc1ccnc(NC2COC(C)(C)OC2)c1C ZINC001168906843 969264164 /nfs/dbraw/zinc/26/41/64/969264164.db2.gz ZCAZIXSXJKQKHT-UHFFFAOYSA-N 0 1 236.315 2.262 20 0 BEADMN c1cnc2c(c1)CCN(C[C@H]1CCC=CO1)C2 ZINC001208883082 969270352 /nfs/dbraw/zinc/27/03/52/969270352.db2.gz RWQLRBAMJFICFL-CYBMUJFWSA-N 0 1 230.311 2.132 20 0 BEADMN CC(=O)[C@H]1CCCCN1C[C@@H]1CCC=CO1 ZINC001208883036 969273528 /nfs/dbraw/zinc/27/35/28/969273528.db2.gz QSWXPVDRCBOYCB-QWHCGFSZSA-N 0 1 223.316 2.123 20 0 BEADMN Cc1c[nH]c2cccc(-n3c(C)cnc3CN)c12 ZINC001169028844 969347352 /nfs/dbraw/zinc/34/73/52/969347352.db2.gz HJUUBRRTNJMRTC-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN Cc1c[nH]c2c1cccc2-n1c(C)cnc1CN ZINC001169029957 969351878 /nfs/dbraw/zinc/35/18/78/969351878.db2.gz ZYHIQFFLOIIESK-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN CC(C)(C)[C@H](O)CNc1cccc2[nH]ncc21 ZINC001253734149 969357733 /nfs/dbraw/zinc/35/77/33/969357733.db2.gz ZNKFVAPWEZXSHQ-GFCCVEGCSA-N 0 1 233.315 2.382 20 0 BEADMN C[C@H]1CCN(CCCc2cccnc2)CCC1=O ZINC001209171068 969367624 /nfs/dbraw/zinc/36/76/24/969367624.db2.gz BUAQDTVYMXXYPV-ZDUSSCGKSA-N 0 1 246.354 2.315 20 0 BEADMN COc1ccc2[nH]c(NC[C@H](O)C(C)C)nc2c1 ZINC001253752196 969369813 /nfs/dbraw/zinc/36/98/13/969369813.db2.gz BWRRCOVDQJKABJ-LBPRGKRZSA-N 0 1 249.314 2.000 20 0 BEADMN CC[C@@]12C[C@@H](CO1)[N@@H+](CCCc1cccnc1)C2 ZINC001209182059 969373769 /nfs/dbraw/zinc/37/37/69/969373769.db2.gz RUPCRBSIUAJBPG-GJZGRUSLSA-N 0 1 246.354 2.268 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N(CCCc1cccnc1)C2 ZINC001209182059 969373772 /nfs/dbraw/zinc/37/37/72/969373772.db2.gz RUPCRBSIUAJBPG-GJZGRUSLSA-N 0 1 246.354 2.268 20 0 BEADMN CC(=O)[C@H]1CCCC[N@H+]1CCCc1cccnc1 ZINC001209182027 969374623 /nfs/dbraw/zinc/37/46/23/969374623.db2.gz QBMCJSOPICFAID-OAHLLOKOSA-N 0 1 246.354 2.458 20 0 BEADMN CC(=O)[C@H]1CCCCN1CCCc1cccnc1 ZINC001209182027 969374627 /nfs/dbraw/zinc/37/46/27/969374627.db2.gz QBMCJSOPICFAID-OAHLLOKOSA-N 0 1 246.354 2.458 20 0 BEADMN C[C@H]1CN(CCCc2ccncc2)CCCC1=O ZINC001209185352 969375699 /nfs/dbraw/zinc/37/56/99/969375699.db2.gz QZIDTCOQNQBUKQ-ZDUSSCGKSA-N 0 1 246.354 2.315 20 0 BEADMN C[C@@H]1CN(CCCc2ccncc2)CCCC1=O ZINC001209185351 969376482 /nfs/dbraw/zinc/37/64/82/969376482.db2.gz QZIDTCOQNQBUKQ-CYBMUJFWSA-N 0 1 246.354 2.315 20 0 BEADMN CC(C)[C@@H](O)CNCc1c(F)cc(F)cc1F ZINC001253780469 969401929 /nfs/dbraw/zinc/40/19/29/969401929.db2.gz PCGXPNUASIHIQT-LBPRGKRZSA-N 0 1 247.260 2.210 20 0 BEADMN COCCCCN1CC[C@](C)(F)[C@H](F)C1 ZINC001209217518 969404158 /nfs/dbraw/zinc/40/41/58/969404158.db2.gz GZUNYMDZDILRPB-MNOVXSKESA-N 0 1 221.291 2.185 20 0 BEADMN CCCc1nnc([C@H]2CCc3[nH]cnc3C2)o1 ZINC001253958126 969429086 /nfs/dbraw/zinc/42/90/86/969429086.db2.gz UTACGDOEZDLPSW-QMMMGPOBSA-N 0 1 232.287 2.018 20 0 BEADMN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)[nH]n1 ZINC001254004156 969447749 /nfs/dbraw/zinc/44/77/49/969447749.db2.gz HCDXRBKDFACKEA-UWVGGRQHSA-N 0 1 225.361 2.044 20 0 BEADMN C[C@@H]1C[C@@H](CN(C)Cc2ncccn2)C[C@H](C)O1 ZINC001209380343 969453549 /nfs/dbraw/zinc/45/35/49/969453549.db2.gz WLIJCNGXTPPDFW-CLLJXQQHSA-N 0 1 249.358 2.112 20 0 BEADMN COC1CCC(CN2CCC(=O)[C@H](C)C2)CC1 ZINC001209392584 969461906 /nfs/dbraw/zinc/46/19/06/969461906.db2.gz HNLCFGRSGNVIIQ-PNESKVBLSA-N 0 1 239.359 2.103 20 0 BEADMN c1ncn2cc(-c3nnc(C4CC4)o3)ccc12 ZINC001254055045 969464454 /nfs/dbraw/zinc/46/44/54/969464454.db2.gz XZYYFAPDDYYNNX-UHFFFAOYSA-N 0 1 226.239 2.262 20 0 BEADMN c1nc2ccc[nH]c-2c1-c1nnc(C2CC2)o1 ZINC001254060617 969466932 /nfs/dbraw/zinc/46/69/32/969466932.db2.gz ZGDNBMJPKVRQOT-UHFFFAOYSA-N 0 1 226.239 2.490 20 0 BEADMN CN(Cc1cc2c(cn1)OCCC2)C1CC1 ZINC001209499344 969525475 /nfs/dbraw/zinc/52/54/75/969525475.db2.gz GWNPZWIJOLXUGV-UHFFFAOYSA-N 0 1 218.300 2.001 20 0 BEADMN FC1(F)CCC(N2CCn3cncc3C2)CC1 ZINC001254225182 969550261 /nfs/dbraw/zinc/55/02/61/969550261.db2.gz KVUUEXFTQGCZEV-UHFFFAOYSA-N 0 1 241.285 2.277 20 0 BEADMN COc1cc(CN2CCCC23CC3)cnc1OC ZINC001209613705 969567628 /nfs/dbraw/zinc/56/76/28/969567628.db2.gz MDNPMJROFRHMIJ-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN COc1cc(CN2CC3(C2)CCCC3)ccn1 ZINC001209636843 969569725 /nfs/dbraw/zinc/56/97/25/969569725.db2.gz RYVKPIDAPAIWKQ-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)ccn1 ZINC001209640883 969571098 /nfs/dbraw/zinc/57/10/98/969571098.db2.gz OFZDXZHKWVOTST-SRVKXCTJSA-N 0 1 236.290 2.023 20 0 BEADMN Cc1nc2ccccn2c1CN1CC[C@@H]1C ZINC001209647816 969572181 /nfs/dbraw/zinc/57/21/81/969572181.db2.gz QXOQOOHJZHJAFY-JTQLQIEISA-N 0 1 215.300 2.237 20 0 BEADMN Fc1ccc(F)c(CN[C@@H]2CCCOC2)c1F ZINC001254362125 969575435 /nfs/dbraw/zinc/57/54/35/969575435.db2.gz CWGQAWQAVDEGFD-MRVPVSSYSA-N 0 1 245.244 2.373 20 0 BEADMN Nc1ccncc1CN1Cc2ccc(F)cc2C1 ZINC001209731247 969594024 /nfs/dbraw/zinc/59/40/24/969594024.db2.gz QLNJOXWHRHLBSJ-UHFFFAOYSA-N 0 1 243.285 2.149 20 0 BEADMN CN(Cc1ccsc1)Cc1cnccc1N ZINC001209732147 969596348 /nfs/dbraw/zinc/59/63/48/969596348.db2.gz XUFAGRMCXZIEIZ-UHFFFAOYSA-N 0 1 233.340 2.188 20 0 BEADMN Cc1nc([C@@H](C)N2CC(C)(C)C2(C)C)n[nH]1 ZINC001325221655 1169937498 /nfs/dbraw/zinc/93/74/98/1169937498.db2.gz FBOITGHRMSVSRB-MRVPVSSYSA-N 0 1 222.336 2.295 20 0 BEADMN CN(C)c1ccccc1CN1CCCC12COC2 ZINC001209777594 969612174 /nfs/dbraw/zinc/61/21/74/969612174.db2.gz AUMSKLYTOJABEB-UHFFFAOYSA-N 0 1 246.354 2.117 20 0 BEADMN Cc1ncc(Nc2ncccc2F)n1C ZINC001209809578 969635633 /nfs/dbraw/zinc/63/56/33/969635633.db2.gz CIQWDEQWECZZES-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cc1nc(Nc2ccc3nc[nH]c3c2)cc(=O)[nH]1 ZINC001209842608 969653913 /nfs/dbraw/zinc/65/39/13/969653913.db2.gz NDYHEGNZXARSDJ-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN c1cc(Nc2ccc3nc[nH]c3c2)on1 ZINC001209842095 969656182 /nfs/dbraw/zinc/65/61/82/969656182.db2.gz BVROASVFXORFTK-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1ccc(CNc2nccc(C)c2C)nn1 ZINC001169466189 969668680 /nfs/dbraw/zinc/66/86/80/969668680.db2.gz MXNJQYJFBNSPDU-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CCCOc1ccc(-n2cncc2N)cc1 ZINC001209866319 969673946 /nfs/dbraw/zinc/67/39/46/969673946.db2.gz AYKFJDCWNWMEBT-UHFFFAOYSA-N 0 1 217.272 2.243 20 0 BEADMN CC[C@H](C)[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001169508352 969694340 /nfs/dbraw/zinc/69/43/40/969694340.db2.gz ZDNIMMMQWAAWNM-GMXVVIOVSA-N 0 1 239.359 2.101 20 0 BEADMN CO[C@@H](C)c1cccc(-n2cncc2N)c1 ZINC001209946549 969708684 /nfs/dbraw/zinc/70/86/84/969708684.db2.gz CXFZQLIFXILYRY-VIFPVBQESA-N 0 1 217.272 2.162 20 0 BEADMN Cc1cc(Nc2cnc(N)cc2C)on1 ZINC001209961185 969719719 /nfs/dbraw/zinc/71/97/19/969719719.db2.gz DJMHVCZCRPYVGX-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN Cc1csc(Nc2cnc(N)cc2C)n1 ZINC001209961424 969722552 /nfs/dbraw/zinc/72/25/52/969722552.db2.gz IJIBMCVRBSXSBH-UHFFFAOYSA-N 0 1 220.301 2.481 20 0 BEADMN COc1nccc(Nc2cnc(N)cc2C)c1F ZINC001209966202 969728298 /nfs/dbraw/zinc/72/82/98/969728298.db2.gz VBGPPTVUSPYPPV-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN COc1cc(Nc2cnc(N)cc2C)ccc1O ZINC001209966862 969730413 /nfs/dbraw/zinc/73/04/13/969730413.db2.gz GZLZJFRIQUYDEZ-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1cc(N)ncc1Nc1ccnc(F)c1 ZINC001209967161 969730570 /nfs/dbraw/zinc/73/05/70/969730570.db2.gz ILDXYPDEAKOHGU-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN COc1ccc(N)cc1Nc1cnc(N)cc1C ZINC001209970511 969740495 /nfs/dbraw/zinc/74/04/95/969740495.db2.gz VICGENMJSCPMGV-UHFFFAOYSA-N 0 1 244.298 2.307 20 0 BEADMN Cc1cc(N)ncc1N1CCc2c1cccc2N ZINC001209973129 969741195 /nfs/dbraw/zinc/74/11/95/969741195.db2.gz VRELVWSPDXHIIQ-UHFFFAOYSA-N 0 1 240.310 2.249 20 0 BEADMN Cc1ncn(-c2ccc3cccnc3c2)c1N ZINC001210055294 969775688 /nfs/dbraw/zinc/77/56/88/969775688.db2.gz BFRMMHLETFJSAX-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Nc1cncn1-c1ccc2cccnc2c1 ZINC001210055020 969777457 /nfs/dbraw/zinc/77/74/57/969777457.db2.gz RIIIRVPUPPBHEO-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN Cc1nonc1Nc1cc2cn[nH]c2cc1C ZINC001210100521 969798127 /nfs/dbraw/zinc/79/81/27/969798127.db2.gz PUNMGBLLYTWLKU-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN CC(C)(F)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001254849630 969805609 /nfs/dbraw/zinc/80/56/09/969805609.db2.gz CVPUJVVRKIQMEX-SECBINFHSA-N 0 1 239.294 2.083 20 0 BEADMN C/C=C(/C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC000350643030 969813988 /nfs/dbraw/zinc/81/39/88/969813988.db2.gz AKYXUKOFZHOBOF-IMAIQDNJSA-N 0 1 233.315 2.302 20 0 BEADMN CN(C)/C=C/c1ccncc1N[C@H]1CCCOC1 ZINC001169671097 969816278 /nfs/dbraw/zinc/81/62/78/969816278.db2.gz SRFIJRXFMWQEQG-CFNZNRNTSA-N 0 1 247.342 2.205 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc(F)c1O ZINC001210195121 969828028 /nfs/dbraw/zinc/82/80/28/969828028.db2.gz DWKQFDNUCBWJNT-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN O=C1C[C@H]2CC(N3Cc4cccnc4C3)C[C@@H]2C1 ZINC001254945430 969832969 /nfs/dbraw/zinc/83/29/69/969832969.db2.gz HWFSUZHGHSBOGD-VXGBXAGGSA-N 0 1 242.322 2.155 20 0 BEADMN O=C1C[C@@H]2CC(N3CCc4occc4C3)C[C@H]2C1 ZINC001254961553 969840477 /nfs/dbraw/zinc/84/04/77/969840477.db2.gz TUYRDRFHIQIMSQ-RYUDHWBXSA-N 0 1 245.322 2.395 20 0 BEADMN CCc1coc(CNC2Cc3ccccc3C2)n1 ZINC001255010622 969843993 /nfs/dbraw/zinc/84/39/93/969843993.db2.gz FXIULJDZPAPWED-UHFFFAOYSA-N 0 1 242.322 2.494 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccnc2)c(C)nn1 ZINC000720569595 969844533 /nfs/dbraw/zinc/84/45/33/969844533.db2.gz KOLLQEPFUYJTCL-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN Clc1nccnc1CNC1CCSCC1 ZINC001255076176 969870251 /nfs/dbraw/zinc/87/02/51/969870251.db2.gz MHDADFJIXLMMJT-UHFFFAOYSA-N 0 1 243.763 2.115 20 0 BEADMN Cc1ccc(CN2CC3(CC(O)C3)C2)s1 ZINC001204029748 969879725 /nfs/dbraw/zinc/87/97/25/969879725.db2.gz GIIOAJSPHLPFEU-UHFFFAOYSA-N 0 1 223.341 2.013 20 0 BEADMN CC1(C)CN(CCC(=O)C2CC2)C(C)(C)CO1 ZINC000767401534 969899443 /nfs/dbraw/zinc/89/94/43/969899443.db2.gz NFUVBLYTLLKMAD-UHFFFAOYSA-N 0 1 239.359 2.245 20 0 BEADMN CCc1nnc(-c2cc(-c3cccnc3)n[nH]2)o1 ZINC001255113654 969941264 /nfs/dbraw/zinc/94/12/64/969941264.db2.gz DYPYGVGQVZKLQA-UHFFFAOYSA-N 0 1 241.254 2.084 20 0 BEADMN Cn1cncc1Nc1cncc(N2CCCC2)c1 ZINC001210608225 969981620 /nfs/dbraw/zinc/98/16/20/969981620.db2.gz LELIDZRVKSNEJT-UHFFFAOYSA-N 0 1 243.314 2.159 20 0 BEADMN CCCN(C)c1cc(Cl)nc2[nH]cnc21 ZINC001156873708 970014914 /nfs/dbraw/zinc/01/49/14/970014914.db2.gz IBQHHLVTFCOLAI-UHFFFAOYSA-N 0 1 224.695 2.458 20 0 BEADMN Cc1ccccc1C1(N[C@@H]2CCSC2)COC1 ZINC001255275268 970025936 /nfs/dbraw/zinc/02/59/36/970025936.db2.gz VPQIRLRUHAYZSM-GFCCVEGCSA-N 0 1 249.379 2.316 20 0 BEADMN CC=C(C)Nc1cnccc1C(=O)OC ZINC001210792928 970032377 /nfs/dbraw/zinc/03/23/77/970032377.db2.gz SCJNLDVHQZEDLS-XBXARRHUSA-N 0 1 206.245 2.204 20 0 BEADMN C/C=C(\C)c1ccc(Cc2nn[nH]n2)cc1 ZINC001242760020 970060193 /nfs/dbraw/zinc/06/01/93/970060193.db2.gz IBBTYZGOGKPICW-YCRREMRBSA-N 0 1 214.272 2.214 20 0 BEADMN Oc1ccc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001242763487 970063698 /nfs/dbraw/zinc/06/36/98/970063698.db2.gz WAVINJNMILAWGH-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1ccc(F)c(-c2ccc3[nH]nnc3c2)c1 ZINC001242763487 970063707 /nfs/dbraw/zinc/06/37/07/970063707.db2.gz WAVINJNMILAWGH-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CC(=O)OC1CN(C2CCC(C)(C)CC2)C1 ZINC001255306878 970070067 /nfs/dbraw/zinc/07/00/67/970070067.db2.gz RKYVHIYPJPSJLI-UHFFFAOYSA-N 0 1 225.332 2.203 20 0 BEADMN CC1(C)CCC(N2CC3(CCO3)C2)CC1 ZINC001255306877 970074425 /nfs/dbraw/zinc/07/44/25/970074425.db2.gz RKPIEBHRJFUCJV-UHFFFAOYSA-N 0 1 209.333 2.430 20 0 BEADMN Nc1nc2ccccc2n1-c1c[nH]c2ncccc12 ZINC001210938998 970077453 /nfs/dbraw/zinc/07/74/53/970077453.db2.gz ROUICNRWPAMURC-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CCOC(=O)c1cnoc1Nc1ccc(C)cn1 ZINC001211006236 970109308 /nfs/dbraw/zinc/10/93/08/970109308.db2.gz HRVKMCLRFNXATI-UHFFFAOYSA-N 0 1 247.254 2.298 20 0 BEADMN Cc1cc(Nc2ccncn2)c2ccccc2n1 ZINC001211022707 970118051 /nfs/dbraw/zinc/11/80/51/970118051.db2.gz GDKMUPUOUWNROO-UHFFFAOYSA-N 0 1 236.278 2.499 20 0 BEADMN CCCC[C@@H](C)N1CCn2nccc2C1 ZINC001255334429 970119056 /nfs/dbraw/zinc/11/90/56/970119056.db2.gz QOLSLUBFHGCLGL-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN c1cc(Nc2ccnc(C3CC3)c2)ncn1 ZINC001211026844 970121951 /nfs/dbraw/zinc/12/19/51/970121951.db2.gz MBYCNRMCNNDXCX-UHFFFAOYSA-N 0 1 212.256 2.493 20 0 BEADMN C[N@@H+]1CC[C@@H](NC2(c3ccccc3F)CC2)C1 ZINC001255423674 970147158 /nfs/dbraw/zinc/14/71/58/970147158.db2.gz MGUCZSSZTCFTII-LLVKDONJSA-N 0 1 234.318 2.109 20 0 BEADMN Cc1c(CO)cccc1Nc1ccnc(CO)c1 ZINC001211163367 970166303 /nfs/dbraw/zinc/16/63/03/970166303.db2.gz NQTWOKRHZGRSDL-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN CCOC(=O)c1cccc(Nc2cncn2C)c1 ZINC001211204360 970169773 /nfs/dbraw/zinc/16/97/73/970169773.db2.gz WNDASRPVGMXSKJ-UHFFFAOYSA-N 0 1 245.282 2.340 20 0 BEADMN Cc1cc2c(ncnc2Nc2cncn2C)s1 ZINC001211245966 970190735 /nfs/dbraw/zinc/19/07/35/970190735.db2.gz VPYHQBCHGAHWMD-UHFFFAOYSA-N 0 1 245.311 2.477 20 0 BEADMN Cc1cc(Nc2cncn2C)c2ccccc2[nH+]1 ZINC001211245939 970190965 /nfs/dbraw/zinc/19/09/65/970190965.db2.gz UFHQQWNQMLBASX-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN COc1ccc(Cl)c(Nc2cncn2C)n1 ZINC001211247429 970192273 /nfs/dbraw/zinc/19/22/73/970192273.db2.gz ZXSJMKZSTCYGOU-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CC(C)CCC[C@H](C)N1CCNC(=O)[C@H]1C ZINC001170082915 970195263 /nfs/dbraw/zinc/19/52/63/970195263.db2.gz NGLTWLKJRLFAMH-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN Cn1cncc1Nc1ccc(O)c(F)c1F ZINC001211249077 970196702 /nfs/dbraw/zinc/19/67/02/970196702.db2.gz HZUZDQJQNDNQRP-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CC(=O)[C@H](N[C@H]1CCCN(C)C1)c1ccccc1 ZINC001255469970 970197496 /nfs/dbraw/zinc/19/74/96/970197496.db2.gz HNSXLISGQYMJRN-GJZGRUSLSA-N 0 1 246.354 2.001 20 0 BEADMN C=CC(=O)Nc1cccc(Nc2cncn2C)c1 ZINC001211253511 970198939 /nfs/dbraw/zinc/19/89/39/970198939.db2.gz IWSCETAJLUKRHO-UHFFFAOYSA-N 0 1 242.282 2.288 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)CCN2C ZINC001211253952 970199205 /nfs/dbraw/zinc/19/92/05/970199205.db2.gz ONQALYJYBIZJIS-UHFFFAOYSA-N 0 1 228.299 2.156 20 0 BEADMN CC(=O)Oc1ccc(Nc2cncn2C)cc1 ZINC001211251474 970200390 /nfs/dbraw/zinc/20/03/90/970200390.db2.gz GSDPROZKEJNUGU-UHFFFAOYSA-N 0 1 231.255 2.089 20 0 BEADMN COc1cnccc1-n1cc(N)c2cccnc21 ZINC001211256815 970200847 /nfs/dbraw/zinc/20/08/47/970200847.db2.gz BKVNPRPZYWVTMY-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN CCc1ccc(Nc2ccncc2OC)cn1 ZINC001211260177 970203727 /nfs/dbraw/zinc/20/37/27/970203727.db2.gz LHZWZWAYAJEPAX-UHFFFAOYSA-N 0 1 229.283 2.213 20 0 BEADMN COc1cnccc1Nc1c(F)cccc1OC ZINC001211263451 970210033 /nfs/dbraw/zinc/21/00/33/970210033.db2.gz RSMOYTRXYQTWNB-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN COc1cnccc1Nc1ccc([C@@H](C)O)cc1 ZINC001211260650 970210833 /nfs/dbraw/zinc/21/08/33/970210833.db2.gz OPLWBKVYKWMNTA-SNVBAGLBSA-N 0 1 244.294 2.309 20 0 BEADMN COc1cnccc1Nc1cnn(C(C)C)c1 ZINC001211260983 970211484 /nfs/dbraw/zinc/21/14/84/970211484.db2.gz YNFYZRUYCXTTLW-UHFFFAOYSA-N 0 1 232.287 2.033 20 0 BEADMN COc1cnccc1Nc1ccc2cnoc2c1 ZINC001211263572 970212312 /nfs/dbraw/zinc/21/23/12/970212312.db2.gz CAWHLLRTJRHUOY-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN COc1cnccc1Nc1cc(C)cc(CO)c1 ZINC001211265092 970215053 /nfs/dbraw/zinc/21/50/53/970215053.db2.gz MXDSQUDJSWWQDV-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN COC(=O)CN(C)[C@H](C)CCCC(C)C ZINC001170088218 970217930 /nfs/dbraw/zinc/21/79/30/970217930.db2.gz PSHACMOMBCJKFA-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)CCC[C@@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001170088504 970220619 /nfs/dbraw/zinc/22/06/19/970220619.db2.gz UHXHPXMSIDTLAT-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ncc(-c2cc(F)c(O)cc2F)cn1 ZINC001211338377 970237490 /nfs/dbraw/zinc/23/74/90/970237490.db2.gz CTSHJLRURKVJIP-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cn1nncc1Nc1ccnc(C(C)(C)C)c1 ZINC001213164065 970287645 /nfs/dbraw/zinc/28/76/45/970287645.db2.gz HCTJLTVOMXWJKI-UHFFFAOYSA-N 0 1 231.303 2.251 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000300343852 970287762 /nfs/dbraw/zinc/28/77/62/970287762.db2.gz JNBOLIHWRRENLC-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@H]1CC[C@@H](NCc2nccc(Cl)n2)C1 ZINC001170109400 970309563 /nfs/dbraw/zinc/30/95/63/970309563.db2.gz PGAKZBODARIJSY-DTWKUNHWSA-N 0 1 225.723 2.408 20 0 BEADMN Clc1cc(-c2nc(-c3ccncc3)no2)n[nH]1 ZINC001213500652 970328432 /nfs/dbraw/zinc/32/84/32/970328432.db2.gz NRSMHADCNFKSBN-UHFFFAOYSA-N 0 1 247.645 2.175 20 0 BEADMN COC[C@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001255568653 970362196 /nfs/dbraw/zinc/36/21/96/970362196.db2.gz AMQQGAOZLAKYNY-DTWKUNHWSA-N 0 1 225.254 2.091 20 0 BEADMN Nc1cncn1-c1ccccc1N1CCCC1 ZINC001213603740 970365670 /nfs/dbraw/zinc/36/56/70/970365670.db2.gz BUHLRHLZOMYIMT-UHFFFAOYSA-N 0 1 228.299 2.055 20 0 BEADMN COC[C@@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001255577257 970376142 /nfs/dbraw/zinc/37/61/42/970376142.db2.gz AUSYFQLWFWEHHY-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN COC[C@@H](C)N1CCc2ccc(C(C)=O)cc2C1 ZINC001255581791 970383131 /nfs/dbraw/zinc/38/31/31/970383131.db2.gz OBYDKWJYUYVOLS-LLVKDONJSA-N 0 1 247.338 2.282 20 0 BEADMN Cc1oncc1CN[C@H](C)CC(F)(F)F ZINC001255632583 970404785 /nfs/dbraw/zinc/40/47/85/970404785.db2.gz JGNAWCCEGKPOCC-ZCFIWIBFSA-N 0 1 222.210 2.414 20 0 BEADMN C[C@H](CC(F)(F)F)Nc1cccnc1CN ZINC001255639417 970411334 /nfs/dbraw/zinc/41/13/34/970411334.db2.gz MBDSOUCCSYGQGP-SSDOTTSWSA-N 0 1 233.237 2.293 20 0 BEADMN OCc1c(F)cc(Nc2ccncc2)cc1F ZINC001214020778 970421506 /nfs/dbraw/zinc/42/15/06/970421506.db2.gz YQQOYBGGZYJITQ-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN CC(C)c1cc(-c2cnc(CN)nc2)ccc1O ZINC001243245552 970432496 /nfs/dbraw/zinc/43/24/96/970432496.db2.gz GDTXMQDTCQZZKS-UHFFFAOYSA-N 0 1 243.310 2.431 20 0 BEADMN Cc1cc(N)ccc1-n1c(N)nc2ccccc21 ZINC001214106118 970435747 /nfs/dbraw/zinc/43/57/47/970435747.db2.gz XFJCRLMUIFNURE-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN CC(C)(C)ONC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001255665272 970441816 /nfs/dbraw/zinc/44/18/16/970441816.db2.gz IPBDQNDVLCHNHT-LLVKDONJSA-N 0 1 247.294 2.203 20 0 BEADMN C[C@H](CC(F)(F)F)N1CC[C@]12CCOC2 ZINC001255665609 970447021 /nfs/dbraw/zinc/44/70/21/970447021.db2.gz ZEMXGVBTRAVDSE-RKDXNWHRSA-N 0 1 223.238 2.192 20 0 BEADMN Cc1ccc(Nc2cncn2C)c(N)c1 ZINC001214180629 970453432 /nfs/dbraw/zinc/45/34/32/970453432.db2.gz FNNYFUQXVCQQDC-UHFFFAOYSA-N 0 1 202.261 2.054 20 0 BEADMN C[C@@H]1CC[C@H](N2CCN(C(C)(C)C)C(=O)C2)C1 ZINC001170152425 970465527 /nfs/dbraw/zinc/46/55/27/970465527.db2.gz LURVXDUCXAFGHV-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN COCOc1ccc(C)cc1-n1cnc(C)c1N ZINC001214239471 970479344 /nfs/dbraw/zinc/47/93/44/970479344.db2.gz CWEWTYXOKFGFHZ-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccc(C)cc1 ZINC001255781823 970486257 /nfs/dbraw/zinc/48/62/57/970486257.db2.gz RUHHXPFIYBDWIL-AWEZNQCLSA-N 0 1 233.379 2.411 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H](C)Cc1ccc(C)cc1 ZINC001255781823 970486259 /nfs/dbraw/zinc/48/62/59/970486259.db2.gz RUHHXPFIYBDWIL-AWEZNQCLSA-N 0 1 233.379 2.411 20 0 BEADMN Cc1ccc(C[C@H](C)N2C[C@@H]3C[C@H]2CO3)cc1 ZINC001255791230 970490234 /nfs/dbraw/zinc/49/02/34/970490234.db2.gz BXBFYBNPFPXZFC-QEJZJMRPSA-N 0 1 231.339 2.399 20 0 BEADMN COCOc1cccc(F)c1Nc1ccncc1 ZINC001214428378 970501164 /nfs/dbraw/zinc/50/11/64/970501164.db2.gz TYMZFNDINVVFJQ-UHFFFAOYSA-N 0 1 248.257 2.369 20 0 BEADMN C[C@H](Cc1ccccc1F)N(C)C1COC1 ZINC001255851945 970517882 /nfs/dbraw/zinc/51/78/82/970517882.db2.gz ZNICCRGXFARESU-SNVBAGLBSA-N 0 1 223.291 2.087 20 0 BEADMN C[C@@H](Cc1ccccc1F)[N@H+]1CCN2CC[C@H]1C2 ZINC001255853513 970522994 /nfs/dbraw/zinc/52/29/94/970522994.db2.gz KYYAVNKSIFEXOR-JSGCOSHPSA-N 0 1 248.345 2.147 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)n1ccnc1CN ZINC001255855632 970523377 /nfs/dbraw/zinc/52/33/77/970523377.db2.gz GINSUOFZNIFKQE-SNVBAGLBSA-N 0 1 233.290 2.285 20 0 BEADMN CCCOC1CN([C@@H]2CCO[C@H](CC)C2)C1 ZINC001170217921 970588296 /nfs/dbraw/zinc/58/82/96/970588296.db2.gz CEIHMOLIKUYZSL-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN OC1CN([C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256113990 970663095 /nfs/dbraw/zinc/66/30/95/970663095.db2.gz SPGJJHNPTJRTJN-UONOGXRCSA-N 0 1 231.339 2.389 20 0 BEADMN COc1cccc(C[C@H](C)n2ccnc2CN)c1 ZINC001256141696 970670380 /nfs/dbraw/zinc/67/03/80/970670380.db2.gz SRYKQAWAFAZUNJ-NSHDSACASA-N 0 1 245.326 2.154 20 0 BEADMN COc1cccc(C[C@H](C)N2CCOC[C@@H]2C)c1 ZINC001256159891 970681096 /nfs/dbraw/zinc/68/10/96/970681096.db2.gz KJXRJVUQSSEALD-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN CC(C)CC[C@H](C)N[C@H]1CCSC1=O ZINC001256355194 970752518 /nfs/dbraw/zinc/75/25/18/970752518.db2.gz RVGRIZDRCNLNNZ-UWVGGRQHSA-N 0 1 215.362 2.433 20 0 BEADMN CCC1CCN(CN2CC3(CC3)CC2=O)CC1 ZINC001327340601 972555031 /nfs/dbraw/zinc/55/50/31/972555031.db2.gz GKGZNZRUFQZQFP-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@@H](N(C)CN1CC2(CC2)CC1=O)C1(C)CC1 ZINC001327342094 972555830 /nfs/dbraw/zinc/55/58/30/972555830.db2.gz SUBJLUZMAKTTEQ-LLVKDONJSA-N 0 1 236.359 2.077 20 0 BEADMN CCCC(C)(C)C(=O)Nc1n[nH]c2nccnc12 ZINC001144109666 972576774 /nfs/dbraw/zinc/57/67/74/972576774.db2.gz KSSDCUODSPZJGP-UHFFFAOYSA-N 0 1 247.302 2.069 20 0 BEADMN CCCCC[C@@H](C)CC(=O)OCc1nnc[nH]1 ZINC001327453245 972579117 /nfs/dbraw/zinc/57/91/17/972579117.db2.gz MGWDLSFNBKRVHF-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)OCc1nnc[nH]1 ZINC001327483939 972591022 /nfs/dbraw/zinc/59/10/22/972591022.db2.gz UBYHSMXJAJSCNF-ZJUUUORDSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1c(O)cccc1CN1C[C@@H](C)[C@@H](F)C1 ZINC001144107288 972600240 /nfs/dbraw/zinc/60/02/40/972600240.db2.gz JARPMFRRGUPQBZ-SKDRFNHKSA-N 0 1 223.291 2.490 20 0 BEADMN COc1ccc(O)cc1-c1nccc2[nH]cnc21 ZINC001222608386 972604324 /nfs/dbraw/zinc/60/43/24/972604324.db2.gz OGKJGRVOXMNCSJ-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN c1cc(C2CCN(Cc3nnc[nH]3)CC2)cs1 ZINC001327520364 972615185 /nfs/dbraw/zinc/61/51/85/972615185.db2.gz SGDLZFRRLJIDSC-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN Cc1ccc([C@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001327538482 972621780 /nfs/dbraw/zinc/62/17/80/972621780.db2.gz SLCXCGGPMVBPMP-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN Cc1nc2c(n1CC[C@@H]1CCOC1=O)CCCC2 ZINC001327565267 972640698 /nfs/dbraw/zinc/64/06/98/972640698.db2.gz JKKCDXXDARMFPA-LLVKDONJSA-N 0 1 248.326 2.024 20 0 BEADMN C[C@@H]1CN(Cc2ccc3cc[nH]c3n2)C[C@@H]1F ZINC001144168685 972662645 /nfs/dbraw/zinc/66/26/45/972662645.db2.gz HYXPWTDOZVBEGC-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN Cc1cc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)n[nH]1 ZINC001144302606 972755790 /nfs/dbraw/zinc/75/57/90/972755790.db2.gz DTWHVABTAVGVOX-WOPDTQHZSA-N 0 1 247.342 2.161 20 0 BEADMN CCCCOC[C@H](C)OCc1cnc[nH]1 ZINC001222999450 972793296 /nfs/dbraw/zinc/79/32/96/972793296.db2.gz CAYNSUSGEZSFDS-JTQLQIEISA-N 0 1 212.293 2.132 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1ccncc1F ZINC001223007906 972798429 /nfs/dbraw/zinc/79/84/29/972798429.db2.gz RFJXVMHLVWBLPZ-QMMMGPOBSA-N 0 1 221.235 2.222 20 0 BEADMN C[C@H](OCc1cnc[nH]1)c1cccnc1 ZINC001223001860 972800810 /nfs/dbraw/zinc/80/08/10/972800810.db2.gz MSDYLHQRHYKLFV-VIFPVBQESA-N 0 1 203.245 2.083 20 0 BEADMN c1c(CN2C[C@H]3CC[C@@H]2C3)nc2ccccn12 ZINC000125374373 972802344 /nfs/dbraw/zinc/80/23/44/972802344.db2.gz WMYYQTYZJGUPBN-WCQYABFASA-N 0 1 227.311 2.319 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H](C)[C@H]2C)[nH]1 ZINC001327907098 972802590 /nfs/dbraw/zinc/80/25/90/972802590.db2.gz MYECDITUJQFWGU-RKDXNWHRSA-N 0 1 221.304 2.014 20 0 BEADMN CC(C)[C@H](OCc1nn[nH]n1)c1ccccc1 ZINC001223026634 972805156 /nfs/dbraw/zinc/80/51/56/972805156.db2.gz DKJWDPGKZDKGSL-LBPRGKRZSA-N 0 1 232.287 2.114 20 0 BEADMN CCC[C@@H](C)[C@H](OCc1nn[nH]n1)C(C)C ZINC001223027654 972809969 /nfs/dbraw/zinc/80/99/69/972809969.db2.gz REQDACLOSYKURA-MWLCHTKSSA-N 0 1 226.324 2.177 20 0 BEADMN COc1ncc(CN2CCC[C@@H](C)C2)cc1F ZINC001144451411 972826346 /nfs/dbraw/zinc/82/63/46/972826346.db2.gz UNQLVAXARWJKRM-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CSCCC[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000395820345 972833679 /nfs/dbraw/zinc/83/36/79/972833679.db2.gz RCXGPVZSYLUCJK-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cc(C)n[nH]1 ZINC001328218764 972909028 /nfs/dbraw/zinc/90/90/28/972909028.db2.gz AUHZJNLBXJIQIJ-ZDUSSCGKSA-N 0 1 237.347 2.109 20 0 BEADMN Cc1ccc(COC2CN(C(C)(C)C)C2)cn1 ZINC001223268896 972912938 /nfs/dbraw/zinc/91/29/38/972912938.db2.gz WTZNVSKOIZABKJ-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN CSc1cccc(NCc2nnc[nH]2)c1C ZINC001328486990 973090329 /nfs/dbraw/zinc/09/03/29/973090329.db2.gz CWRPJRWFHONZJB-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC001328525169 973125221 /nfs/dbraw/zinc/12/52/21/973125221.db2.gz JWANVAMJQVBXLK-SNVBAGLBSA-N 0 1 247.342 2.405 20 0 BEADMN Cc1ncc(CO[C@@H]2CN3CCC2CC3)s1 ZINC001223540406 973149481 /nfs/dbraw/zinc/14/94/81/973149481.db2.gz YXCFQOZFXSUYLA-GFCCVEGCSA-N 0 1 238.356 2.062 20 0 BEADMN O=C1CC2(CC2)CN1CN1CCC2(CCC2)CC1 ZINC001328633361 973207611 /nfs/dbraw/zinc/20/76/11/973207611.db2.gz CPTAAUWRUJNWEX-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000399637339 973232731 /nfs/dbraw/zinc/23/27/31/973232731.db2.gz FVASOKMVQMSNCX-KXUCPTDWSA-N 0 1 234.299 2.261 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000399645124 973232880 /nfs/dbraw/zinc/23/28/80/973232880.db2.gz ZKKJPUFVIWNOGI-VWYCJHECSA-N 0 1 248.326 2.256 20 0 BEADMN CC(C)(CC[N@H+]1CC[C@H](C2CC2)C1)C(=O)[O-] ZINC000400150417 973254414 /nfs/dbraw/zinc/25/44/14/973254414.db2.gz DVKAVGYHHFYJNK-NSHDSACASA-N 0 1 225.332 2.219 20 0 BEADMN CSC[C@@H]1CCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000400232493 973261462 /nfs/dbraw/zinc/26/14/62/973261462.db2.gz PDQVFJVMPAZQOS-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cc(C)cc(N2CC3(CCN3C)C2)c1 ZINC001276921021 973284139 /nfs/dbraw/zinc/28/41/39/973284139.db2.gz JLUMPLYDAHEMIG-UHFFFAOYSA-N 0 1 216.328 2.198 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CC1=CCCC1 ZINC000401012660 973337627 /nfs/dbraw/zinc/33/76/27/973337627.db2.gz BHOQYVKZXSGOGI-GFCCVEGCSA-N 0 1 223.316 2.426 20 0 BEADMN Cc1cc(CN2CC(Cc3cccs3)C2)n[nH]1 ZINC001329172017 973532023 /nfs/dbraw/zinc/53/20/23/973532023.db2.gz IPAFVONIOSWCGM-UHFFFAOYSA-N 0 1 247.367 2.454 20 0 BEADMN Fc1cccc2nc(NCCN3CC=CC3)oc21 ZINC001329175225 973544689 /nfs/dbraw/zinc/54/46/89/973544689.db2.gz OQARQAUUNHBOKR-UHFFFAOYSA-N 0 1 247.273 2.251 20 0 BEADMN CC[C@H](C)[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC000403462185 973676318 /nfs/dbraw/zinc/67/63/18/973676318.db2.gz MIWPVDILKDBBNL-ZETCQYMHSA-N 0 1 240.130 2.491 20 0 BEADMN CCCn1cc(CN[C@@H]2CCC[C@H](F)C2)nn1 ZINC001329349325 973694272 /nfs/dbraw/zinc/69/42/72/973694272.db2.gz MJDVCKGMTGSPNN-WDEREUQCSA-N 0 1 240.326 2.058 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC(C1CC1)C1CC1 ZINC001329348747 973694724 /nfs/dbraw/zinc/69/47/24/973694724.db2.gz BZLPSPZMZBMKKC-UHFFFAOYSA-N 0 1 247.342 2.194 20 0 BEADMN CC1(C)CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001147844122 973777435 /nfs/dbraw/zinc/77/74/35/973777435.db2.gz WECCXOCVQBPBDP-UHFFFAOYSA-N 0 1 239.294 2.247 20 0 BEADMN CCN(C)Cc1cn2c(cccc2C)n1 ZINC000128436893 973806815 /nfs/dbraw/zinc/80/68/15/973806815.db2.gz FIDYEQNZAFXTDM-UHFFFAOYSA-N 0 1 203.289 2.094 20 0 BEADMN CC(C)(C)N1CC(OC[C@@H]2CC(C)(C)O2)C1 ZINC001224635658 973812928 /nfs/dbraw/zinc/81/29/28/973812928.db2.gz MTPDOBCGXNWRIC-JTQLQIEISA-N 0 1 227.348 2.053 20 0 BEADMN CC(C)ONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001329858757 973975833 /nfs/dbraw/zinc/97/58/33/973975833.db2.gz VTUGKBSTIUYIJZ-LBPRGKRZSA-N 0 1 248.326 2.066 20 0 BEADMN Fc1cccc2c1CC[C@H](NCc1ccon1)C2 ZINC001171396204 974005010 /nfs/dbraw/zinc/00/50/10/974005010.db2.gz LKUZDKKNTYJXRS-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN CN(Cc1nc[nH]n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001329893678 974012548 /nfs/dbraw/zinc/01/25/48/974012548.db2.gz XASBFNXSOQVQDP-GHMZBOCLSA-N 0 1 236.363 2.451 20 0 BEADMN CN1C[C@H]2C[C@@H](C1)N(c1c(F)cccc1F)C2 ZINC001277000920 974014440 /nfs/dbraw/zinc/01/44/40/974014440.db2.gz NYOYKHWALKJAHQ-ZJUUUORDSA-N 0 1 238.281 2.105 20 0 BEADMN CCOc1ccc(Nc2nccnc2CN)cc1 ZINC001171449541 974074157 /nfs/dbraw/zinc/07/41/57/974074157.db2.gz HLTCIYMIIAYOGY-UHFFFAOYSA-N 0 1 244.298 2.078 20 0 BEADMN CC(=O)CC(C)(C)Nc1ccnc2[nH]cnc21 ZINC001171498621 974080138 /nfs/dbraw/zinc/08/01/38/974080138.db2.gz DRTVJVYJIOUYRO-UHFFFAOYSA-N 0 1 232.287 2.128 20 0 BEADMN Cc1cccc2c1CC[C@H](N1CCC13COC3)C2 ZINC001171571416 974105745 /nfs/dbraw/zinc/10/57/45/974105745.db2.gz XSJBVLZBRPTPPY-AWEZNQCLSA-N 0 1 243.350 2.327 20 0 BEADMN Cc1nnc(SCc2ccncc2C)[nH]1 ZINC001330150311 974133008 /nfs/dbraw/zinc/13/30/08/974133008.db2.gz SYLHYZUFEXHAAS-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1cccc(-c2noc([C@@]3(C)CCN3)n2)c1F ZINC001248721930 974137154 /nfs/dbraw/zinc/13/71/54/974137154.db2.gz OZAUHJKLMOJHFA-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Fc1cccc2c1C[C@H](NCc1cocn1)C2 ZINC001171776935 974162467 /nfs/dbraw/zinc/16/24/67/974162467.db2.gz DPMCENNGKUFMSN-SNVBAGLBSA-N 0 1 232.258 2.071 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CC[C@@H](F)C1)C2 ZINC001171792689 974188147 /nfs/dbraw/zinc/18/81/47/974188147.db2.gz IJIZVHDXKLODMY-MNOVXSKESA-N 0 1 223.266 2.337 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CCCC13COC3)C2 ZINC001171805970 974191801 /nfs/dbraw/zinc/19/18/01/974191801.db2.gz VOEWGXCNDOCCGF-LBPRGKRZSA-N 0 1 247.313 2.158 20 0 BEADMN CC1(C)COCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171805314 974191984 /nfs/dbraw/zinc/19/19/84/974191984.db2.gz MQXUFECYBXCESR-LBPRGKRZSA-N 0 1 249.329 2.404 20 0 BEADMN Fc1cccc2c1C[C@H](N1CC3(CSC3)C1)C2 ZINC001171809760 974198519 /nfs/dbraw/zinc/19/85/19/974198519.db2.gz MXYANAULBJUDLS-LLVKDONJSA-N 0 1 249.354 2.342 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CC(C(F)F)C1)C2 ZINC001171811804 974201665 /nfs/dbraw/zinc/20/16/65/974201665.db2.gz IMNLMBFULYEJAP-JTQLQIEISA-N 0 1 241.256 2.490 20 0 BEADMN C[C@@H](O)c1ncc(CNC/C=C/C2CC2)s1 ZINC001330422423 974257785 /nfs/dbraw/zinc/25/77/85/974257785.db2.gz BXPWZVNSLGHNTD-GKQMSVHHSA-N 0 1 238.356 2.252 20 0 BEADMN CC[C@@H](CC(=O)OCc1nnc[nH]1)C(C)(C)C ZINC001330601950 974349299 /nfs/dbraw/zinc/34/92/99/974349299.db2.gz CYNZKDXQWURCBM-VIFPVBQESA-N 0 1 239.319 2.310 20 0 BEADMN Cc1cccc([C@@H](C)[S@@](=O)Cc2nc[nH]n2)c1 ZINC001330620558 974367421 /nfs/dbraw/zinc/36/74/21/974367421.db2.gz GLZPXDJXEAVSET-QGHHPUGFSA-N 0 1 249.339 2.123 20 0 BEADMN COC[C@H](C)NCc1noc2ccc(F)cc12 ZINC001330639676 974377081 /nfs/dbraw/zinc/37/70/81/974377081.db2.gz UYCCKZFRQHWYFH-QMMMGPOBSA-N 0 1 238.262 2.091 20 0 BEADMN CN1CCC[C@@H](Oc2ccc(F)cc2F)C1 ZINC001225315641 974392461 /nfs/dbraw/zinc/39/24/61/974392461.db2.gz SZHBECBRBXDDLS-SNVBAGLBSA-N 0 1 227.254 2.438 20 0 BEADMN c1csc(CCSCc2nnc[nH]2)c1 ZINC001330686001 974414179 /nfs/dbraw/zinc/41/41/79/974414179.db2.gz VHVVZEOXTQCQHI-UHFFFAOYSA-N 0 1 225.342 2.342 20 0 BEADMN Cc1nc(CNC2C[C@H]3CC[C@@H](C2)O3)c(C)o1 ZINC001172216724 974440057 /nfs/dbraw/zinc/44/00/57/974440057.db2.gz CLGQGSUOVRMGMD-YOGCLGLASA-N 0 1 236.315 2.091 20 0 BEADMN CN1CC[C@@H](Oc2cc3c(c(F)c2)C(=O)CC3)C1 ZINC001225363707 974446504 /nfs/dbraw/zinc/44/65/04/974446504.db2.gz JSGNNWDOZPXGPX-SNVBAGLBSA-N 0 1 249.285 2.038 20 0 BEADMN CN(Cc1cscn1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172231278 974473288 /nfs/dbraw/zinc/47/32/88/974473288.db2.gz OUYHGIOAPFLHQT-YOGCLGLASA-N 0 1 238.356 2.285 20 0 BEADMN F[C@@H]1CN(C2C[C@@H]3C=C[C@H](C2)O3)CCC1(F)F ZINC001172240725 974503563 /nfs/dbraw/zinc/50/35/63/974503563.db2.gz RQWQUEGQUBYMSY-HUAZRZQGSA-N 0 1 247.260 2.152 20 0 BEADMN CN(Cc1cscn1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242500 974507353 /nfs/dbraw/zinc/50/73/53/974507353.db2.gz XNRYYJXNYJAQEJ-YOGCLGLASA-N 0 1 236.340 2.061 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)CCO[C@@H](C)CC ZINC001172326171 974535528 /nfs/dbraw/zinc/53/55/28/974535528.db2.gz AOENJAQDMDXYHH-OLZOCXBDSA-N 0 1 229.388 2.065 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H](C)CCO[C@@H](C)CC ZINC001172326171 974535533 /nfs/dbraw/zinc/53/55/33/974535533.db2.gz AOENJAQDMDXYHH-OLZOCXBDSA-N 0 1 229.388 2.065 20 0 BEADMN CC1(C)C[C@H](NCc2cn(C3CCC3)cn2)CO1 ZINC001172281239 974540802 /nfs/dbraw/zinc/54/08/02/974540802.db2.gz QFFNUVQYLBKIBI-NSHDSACASA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1CCC[C@H](C(=O)NCc2cc(N)ccn2)C1 ZINC001330985593 974549498 /nfs/dbraw/zinc/54/94/98/974549498.db2.gz SNQHZVQQJJUXCB-QWRGUYRKSA-N 0 1 247.342 2.106 20 0 BEADMN Nc1ccnc(CNC(=O)CC2=CCCCC2)c1 ZINC001330984747 974550876 /nfs/dbraw/zinc/55/08/76/974550876.db2.gz OAPOZABMVHKVMU-UHFFFAOYSA-N 0 1 245.326 2.171 20 0 BEADMN CC1(C)C[C@H](N2CCc3ccncc3C2)CO1 ZINC001172286467 974552024 /nfs/dbraw/zinc/55/20/24/974552024.db2.gz HVHDZGZSZLHYSW-ZDUSSCGKSA-N 0 1 232.327 2.007 20 0 BEADMN CC1(C)C[C@@H](N2CC3(C2)C[C@H](F)CS3)CO1 ZINC001172289190 974554718 /nfs/dbraw/zinc/55/47/18/974554718.db2.gz SVSYZOSCPBAXSI-VHSXEESVSA-N 0 1 245.363 2.083 20 0 BEADMN CC[N@H+]1CC[C@H](Oc2ccccc2[S-])C1 ZINC001225584040 974565588 /nfs/dbraw/zinc/56/55/88/974565588.db2.gz NIQBQLIZCUGLCL-JTQLQIEISA-N 0 1 223.341 2.448 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N1CC2(C1)CCCO2 ZINC001172329518 974593797 /nfs/dbraw/zinc/59/37/97/974593797.db2.gz HPZRBGGTEVLKIL-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCOC[C@@H]1C ZINC001172340848 974606745 /nfs/dbraw/zinc/60/67/45/974606745.db2.gz RKWFAGAESSLDPQ-AGIUHOORSA-N 0 1 229.364 2.301 20 0 BEADMN C[N@H+]1CC[C@H](Oc2ccc3c(c2)CCCC3=O)C1 ZINC001225636290 974610373 /nfs/dbraw/zinc/61/03/73/974610373.db2.gz VELVVVPIVASBLA-ZDUSSCGKSA-N 0 1 245.322 2.289 20 0 BEADMN CN1CC[C@H](Oc2ccc3c(c2)CCCC3=O)C1 ZINC001225636290 974610375 /nfs/dbraw/zinc/61/03/75/974610375.db2.gz VELVVVPIVASBLA-ZDUSSCGKSA-N 0 1 245.322 2.289 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172363065 974636171 /nfs/dbraw/zinc/63/61/71/974636171.db2.gz ZXQIRVOXRKBPOA-AAVRWANBSA-N 0 1 241.375 2.443 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172365445 974642345 /nfs/dbraw/zinc/64/23/45/974642345.db2.gz BTKCOXRQHZQMEJ-WCABBAIRSA-N 0 1 222.336 2.042 20 0 BEADMN Cc1nnc(CN)n1[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172365443 974643661 /nfs/dbraw/zinc/64/36/61/974643661.db2.gz BTKCOXRQHZQMEJ-FXPVBKGRSA-N 0 1 222.336 2.042 20 0 BEADMN CN1CC[C@@H](Oc2nc3ccccc3s2)C1 ZINC001225692300 974647566 /nfs/dbraw/zinc/64/75/66/974647566.db2.gz BDVOBKZQYDOUIN-SECBINFHSA-N 0 1 234.324 2.379 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172367702 974647963 /nfs/dbraw/zinc/64/79/63/974647963.db2.gz MOMAIVJMIQOXBK-RWMBFGLXSA-N 0 1 211.373 2.296 20 0 BEADMN CC[C@@H](CC(C)C)N1CCO[C@H](C(C)=O)C1 ZINC001172404792 974656646 /nfs/dbraw/zinc/65/66/46/974656646.db2.gz LJAQHMGTXLDERF-STQMWFEESA-N 0 1 227.348 2.101 20 0 BEADMN CCOCC[C@@H](C)n1c(CN)nc2ccccc21 ZINC001172405603 974660883 /nfs/dbraw/zinc/66/08/83/974660883.db2.gz ADHSCDWFDIXCJZ-LLVKDONJSA-N 0 1 247.342 2.483 20 0 BEADMN CCOCC[C@@H](C)NCc1nccnc1Cl ZINC001172406660 974663682 /nfs/dbraw/zinc/66/36/82/974663682.db2.gz OQYRBBBHIYQSNQ-SECBINFHSA-N 0 1 243.738 2.035 20 0 BEADMN CCOCC[C@@H](C)N1CC2(C1)CCCCO2 ZINC001172417703 974689233 /nfs/dbraw/zinc/68/92/33/974689233.db2.gz PLXFVOGUKDUMJB-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CCOCC[C@@H](C)N1CCn2cccc2C1 ZINC001172425357 974700530 /nfs/dbraw/zinc/70/05/30/974700530.db2.gz VUQAJQCFODYINF-GFCCVEGCSA-N 0 1 222.332 2.119 20 0 BEADMN Cc1ccc([C@H](C)Oc2[nH]c(=O)ncc2F)cn1 ZINC001225882518 974715334 /nfs/dbraw/zinc/71/53/34/974715334.db2.gz UHOCNFHPNIPEQO-QMMMGPOBSA-N 0 1 249.245 2.165 20 0 BEADMN C[C@H](C(=O)NCc1cc(N)ccn1)C1CCCC1 ZINC001331443634 974723766 /nfs/dbraw/zinc/72/37/66/974723766.db2.gz ONDYOGLHZXMHTC-JTQLQIEISA-N 0 1 247.342 2.106 20 0 BEADMN O=c1cc(C(F)(F)F)nc(O[C@H]2C=CCC2)[nH]1 ZINC001225978528 974748591 /nfs/dbraw/zinc/74/85/91/974748591.db2.gz TXMSYKFAVICSAN-LURJTMIESA-N 0 1 246.188 2.298 20 0 BEADMN CC[C@H](CC(C)C)N1CC[C@H]1C(=O)OC ZINC001172397509 974756199 /nfs/dbraw/zinc/75/61/99/974756199.db2.gz QUFDIDUZVRACAM-MNOVXSKESA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@@H]1CN(Cc2n[nH]c(C)c2C)[C@H](C)CO1 ZINC001331548630 974757267 /nfs/dbraw/zinc/75/72/67/974757267.db2.gz MJUBDVGPNQHSSS-BXKDBHETSA-N 0 1 237.347 2.026 20 0 BEADMN COC1(C)CN([C@@H](C)CCOCC(C)C)C1 ZINC001172469789 974767188 /nfs/dbraw/zinc/76/71/88/974767188.db2.gz UKVQJBBRVHYBOM-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(C3CC3)CC2)n1 ZINC001331578622 974768310 /nfs/dbraw/zinc/76/83/10/974768310.db2.gz GLGSLEBTDDBAKM-UHFFFAOYSA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)C2(C3CC3)CC2)n[nH]1 ZINC001331578622 974768315 /nfs/dbraw/zinc/76/83/15/974768315.db2.gz GLGSLEBTDDBAKM-UHFFFAOYSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H]1CCN(Cc2nnc[nH]2)[C@H]1c1ccccc1 ZINC001331703346 974795102 /nfs/dbraw/zinc/79/51/02/974795102.db2.gz QZKFTRKANQSLEF-SMDDNHRTSA-N 0 1 242.326 2.388 20 0 BEADMN C[C@@H]1CCN(Cc2nnc[nH]2)[C@H]1c1ccccc1 ZINC001331703341 974795742 /nfs/dbraw/zinc/79/57/42/974795742.db2.gz QZKFTRKANQSLEF-BXUZGUMPSA-N 0 1 242.326 2.388 20 0 BEADMN CC(C)OCC[C@@H](C)Nc1cccnc1CN ZINC001172439500 974796787 /nfs/dbraw/zinc/79/67/87/974796787.db2.gz BPISYELSXGCMKH-LLVKDONJSA-N 0 1 237.347 2.156 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CC[C@H](C)C2)n1 ZINC001226157015 974811512 /nfs/dbraw/zinc/81/15/12/974811512.db2.gz UTMUYUCDVCMFDZ-IONNQARKSA-N 0 1 208.261 2.058 20 0 BEADMN CC(C)OCC[C@H](C)N1CCc2ncncc2C1 ZINC001172448490 974811544 /nfs/dbraw/zinc/81/15/44/974811544.db2.gz MQJJFEMMHIYLHI-LBPRGKRZSA-N 0 1 249.358 2.038 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCCC[C@@H]2C)n1 ZINC001226156775 974812004 /nfs/dbraw/zinc/81/20/04/974812004.db2.gz QUBYBSUYLSQRQE-WPRPVWTQSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2cccnc2F)n1 ZINC001226157907 974813212 /nfs/dbraw/zinc/81/32/12/974813212.db2.gz GYUKXKGOMORPSA-QMMMGPOBSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCCC[C@@H]2F)n1 ZINC001226159490 974813919 /nfs/dbraw/zinc/81/39/19/974813919.db2.gz NWTIBVVTLSWCIZ-DTWKUNHWSA-N 0 1 226.251 2.150 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCCC[C@H]2F)n1 ZINC001226159492 974814226 /nfs/dbraw/zinc/81/42/26/974814226.db2.gz NWTIBVVTLSWCIZ-RKDXNWHRSA-N 0 1 226.251 2.150 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CC3CCC2CC3)n1 ZINC001226159559 974814649 /nfs/dbraw/zinc/81/46/49/974814649.db2.gz QEKHNHWVACKDNM-VQXHTEKXSA-N 0 1 234.299 2.448 20 0 BEADMN CC(C)COCC[C@H](C)NCc1ccon1 ZINC001172457996 974822280 /nfs/dbraw/zinc/82/22/80/974822280.db2.gz UVFIPXXXRGTJSK-NSHDSACASA-N 0 1 226.320 2.215 20 0 BEADMN FC1(F)CC[C@@H](CSCc2nnc[nH]2)C1 ZINC001331872277 974842074 /nfs/dbraw/zinc/84/20/74/974842074.db2.gz KKTJLNMIZYRJLN-SSDOTTSWSA-N 0 1 233.287 2.473 20 0 BEADMN CCC(=O)[C@H](CC)Oc1n[nH]c2ncccc12 ZINC001226302516 974850045 /nfs/dbraw/zinc/85/00/45/974850045.db2.gz LOCJHLADJBOPIZ-JTQLQIEISA-N 0 1 233.271 2.094 20 0 BEADMN C[C@H](Oc1n[nH]c2ncccc12)c1ccncc1 ZINC001226300164 974850122 /nfs/dbraw/zinc/85/01/22/974850122.db2.gz LICNNPCHDVBYST-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN O=c1ccnc(O[C@H]2CCc3ccccc32)[nH]1 ZINC001226324644 974855909 /nfs/dbraw/zinc/85/59/09/974855909.db2.gz SZDAEGFAZKJHQB-NSHDSACASA-N 0 1 228.251 2.249 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324273 974856457 /nfs/dbraw/zinc/85/64/57/974856457.db2.gz JRFDJUOYYRZDSX-BBBLOLIVSA-N 0 1 222.288 2.386 20 0 BEADMN COc1ccccc1[C@@H](C)Oc1nccc(=O)[nH]1 ZINC001226324029 974856614 /nfs/dbraw/zinc/85/66/14/974856614.db2.gz GQJOOSJTBTVASV-SECBINFHSA-N 0 1 246.266 2.331 20 0 BEADMN O=c1ccnc(O[C@H]2CCCc3cccnc32)[nH]1 ZINC001226325165 974857514 /nfs/dbraw/zinc/85/75/14/974857514.db2.gz XUHORRNKJBXPFK-JTQLQIEISA-N 0 1 243.266 2.034 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2nccc(=O)[nH]2)[C@@H]1C ZINC001226326732 974859268 /nfs/dbraw/zinc/85/92/68/974859268.db2.gz NDUNLSTUWXWFFK-BBBLOLIVSA-N 0 1 222.288 2.386 20 0 BEADMN CC(C)(C)C[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001331933926 974875603 /nfs/dbraw/zinc/87/56/03/974875603.db2.gz JBHRJHIHHNFOIR-QMMMGPOBSA-N 0 1 242.344 2.122 20 0 BEADMN Nc1cc(OC2CC2)c2ccccc2n1 ZINC001226423238 974891429 /nfs/dbraw/zinc/89/14/29/974891429.db2.gz VIIARVHTEMDOAE-UHFFFAOYSA-N 0 1 200.241 2.358 20 0 BEADMN CC(C)[C@@H]1COCCN1Cc1ccc(O)cc1 ZINC001204096582 974902269 /nfs/dbraw/zinc/90/22/69/974902269.db2.gz HVJCCOQOSBRHEB-AWEZNQCLSA-N 0 1 235.327 2.249 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2cncc(C)c2)no1 ZINC001212678817 974907069 /nfs/dbraw/zinc/90/70/69/974907069.db2.gz SIKMYGZHJCUZDC-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CC(C)OC(=O)CC[C@H](C)N1CC[C@@H](F)C1 ZINC001172755401 974930633 /nfs/dbraw/zinc/93/06/33/974930633.db2.gz PRFAHHHGEICLKJ-WDEREUQCSA-N 0 1 231.311 2.151 20 0 BEADMN Cc1ccc2c(c1)C[C@H](n1ccnc1CN)CC2 ZINC001172824010 974945946 /nfs/dbraw/zinc/94/59/46/974945946.db2.gz OTVMJFTZIHGIJD-CQSZACIVSA-N 0 1 241.338 2.380 20 0 BEADMN Cc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172842109 974956099 /nfs/dbraw/zinc/95/60/99/974956099.db2.gz IUZWSRFHFVUOKO-HRCADAONSA-N 0 1 243.350 2.325 20 0 BEADMN Cc1ccc2c(c1)C[C@@H](N1C[C@H]3C[C@@H](C1)O3)CC2 ZINC001172842109 974956103 /nfs/dbraw/zinc/95/61/03/974956103.db2.gz IUZWSRFHFVUOKO-HRCADAONSA-N 0 1 243.350 2.325 20 0 BEADMN CO[C@@H]1CCC[C@H](NC2(c3ncccn3)CC2)C1 ZINC001172926510 974972821 /nfs/dbraw/zinc/97/28/21/974972821.db2.gz QJJZYRITPQILEW-NWDGAFQWSA-N 0 1 247.342 2.013 20 0 BEADMN CCCOC1CN([C@@H]2CCC[C@@H](OC)C2)C1 ZINC001172938302 974995191 /nfs/dbraw/zinc/99/51/91/974995191.db2.gz KZHCWMVIHSDMBF-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@H]1COC[C@@H]1Oc1nc2ccc(F)cc2[nH]1 ZINC001226700702 975032537 /nfs/dbraw/zinc/03/25/37/975032537.db2.gz ADKFUSDGZOAQQW-CPCISQLKSA-N 0 1 236.246 2.116 20 0 BEADMN COc1cccc2c1C[C@H](N1CC[C@H]1C)CO2 ZINC001173151835 975048457 /nfs/dbraw/zinc/04/84/57/975048457.db2.gz KTVYBRHYCXGRAK-MNOVXSKESA-N 0 1 233.311 2.093 20 0 BEADMN C[C@@H]1c2cccn2CC[N@@H+]1[C@@H]1CCO[C@@H](C)C1 ZINC001173173735 975055121 /nfs/dbraw/zinc/05/51/21/975055121.db2.gz QGZSOEDUEAYHCO-YNEHKIRRSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@@H]1CCO[C@@H](C)C1 ZINC001173173735 975055129 /nfs/dbraw/zinc/05/51/29/975055129.db2.gz QGZSOEDUEAYHCO-YNEHKIRRSA-N 0 1 234.343 2.432 20 0 BEADMN OC1CN(C2CCC(Oc3ccccc3)CC2)C1 ZINC001173199831 975058145 /nfs/dbraw/zinc/05/81/45/975058145.db2.gz IXFUWZKRWUIAKN-UHFFFAOYSA-N 0 1 247.338 2.053 20 0 BEADMN S=c1[nH]c(O[C@@H]2C=CCCC2)nc2[nH]cnc21 ZINC001226787460 975082536 /nfs/dbraw/zinc/08/25/36/975082536.db2.gz YBEXJMLPMHVBGF-SSDOTTSWSA-N 0 1 248.311 2.129 20 0 BEADMN CCc1ccc(C[C@@H](C)N2CC(C)(O)C2)cc1 ZINC001173253375 975092824 /nfs/dbraw/zinc/09/28/24/975092824.db2.gz SIWQIWNCXATBPV-GFCCVEGCSA-N 0 1 233.355 2.247 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2ncc(C)cn2)C1 ZINC001173258983 975102881 /nfs/dbraw/zinc/10/28/81/975102881.db2.gz ARHQYPWUWSEODU-VXGBXAGGSA-N 0 1 219.332 2.453 20 0 BEADMN CC[C@@H]1CC[C@@H](NCc2nccc(C)n2)C1 ZINC001173261730 975111874 /nfs/dbraw/zinc/11/18/74/975111874.db2.gz UPAYAGGAVRAVEH-VXGBXAGGSA-N 0 1 219.332 2.453 20 0 BEADMN CC(=O)c1cc(O)ccc1O[C@H]1CCCN(C)C1 ZINC001226850124 975120822 /nfs/dbraw/zinc/12/08/22/975120822.db2.gz ZMLSNZDRMHTOKC-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CCN1CC[C@@H](Oc2ccc(O)cc2C(C)=O)C1 ZINC001226849849 975122592 /nfs/dbraw/zinc/12/25/92/975122592.db2.gz VLFFNAYWXSLLPG-GFCCVEGCSA-N 0 1 249.310 2.068 20 0 BEADMN CC[C@@H]1CC[C@@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001173264392 975124157 /nfs/dbraw/zinc/12/41/57/975124157.db2.gz SFIPXUUQEZPDQI-GHMZBOCLSA-N 0 1 249.291 2.113 20 0 BEADMN CC[C@H]1CC[C@H](N(C)Cc2ncccn2)C1 ZINC001173272618 975148121 /nfs/dbraw/zinc/14/81/21/975148121.db2.gz KATREEBDMSGBCI-RYUDHWBXSA-N 0 1 219.332 2.487 20 0 BEADMN C[C@H](O)CCCC(=O)Oc1ccc2nc[nH]c2c1 ZINC001226928108 975153412 /nfs/dbraw/zinc/15/34/12/975153412.db2.gz GFODDFFRQZXTMT-VIFPVBQESA-N 0 1 248.282 2.019 20 0 BEADMN CCSC[C@H](C)NCc1cn(CC)cn1 ZINC001173299506 975193802 /nfs/dbraw/zinc/19/38/02/975193802.db2.gz UUIZMBOGWIRAEN-JTQLQIEISA-N 0 1 227.377 2.134 20 0 BEADMN CC(C)OCCOc1[nH]c(=O)nc2ccccc21 ZINC001226978038 975198163 /nfs/dbraw/zinc/19/81/63/975198163.db2.gz WZTOBBXPSBHXAA-UHFFFAOYSA-N 0 1 248.282 2.139 20 0 BEADMN CC[C@H](COC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976736 975199198 /nfs/dbraw/zinc/19/91/98/975199198.db2.gz GOKNNKXYAXMCRH-SECBINFHSA-N 0 1 248.282 2.139 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977058 975200107 /nfs/dbraw/zinc/20/01/07/975200107.db2.gz UYIMEQYSQAISQT-DTWKUNHWSA-N 0 1 247.298 2.132 20 0 BEADMN CCCC[C@@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227001129 975214645 /nfs/dbraw/zinc/21/46/45/975214645.db2.gz YCRGDWWIKLJBJV-MRVPVSSYSA-N 0 1 226.276 2.148 20 0 BEADMN COc1nc(O[C@@H]2CCCC[C@@H]2C)cc(=O)[nH]1 ZINC001227000733 975217417 /nfs/dbraw/zinc/21/74/17/975217417.db2.gz QQPUSZHJCSZNOI-DTWKUNHWSA-N 0 1 238.287 2.148 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCc3ncn(C)c3C2)C1 ZINC001173284188 975242477 /nfs/dbraw/zinc/24/24/77/975242477.db2.gz OFZOAUCTNTWFDU-NEPJUHHUSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCn3cncc3C2)C1 ZINC001173286028 975246197 /nfs/dbraw/zinc/24/61/97/975246197.db2.gz CJSGNLUGJDWVGS-NWDGAFQWSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@@H]1CC[C@@H](N(C)[C@@H](C)C(=O)OC)C1 ZINC001173289835 975260330 /nfs/dbraw/zinc/26/03/30/975260330.db2.gz UYNKLSMFCYVIEV-HBNTYKKESA-N 0 1 213.321 2.058 20 0 BEADMN CC(=O)c1cc(C)ccc1O[C@H]1CCN(C)C1 ZINC001227085674 975257881 /nfs/dbraw/zinc/25/78/81/975257881.db2.gz SKUHOTPCMLVVLU-LBPRGKRZSA-N 0 1 233.311 2.281 20 0 BEADMN COC[C@H](NCc1c(F)cncc1F)C(C)C ZINC001332865228 975298052 /nfs/dbraw/zinc/29/80/52/975298052.db2.gz DUHFKKDLTCVGNS-LBPRGKRZSA-N 0 1 244.285 2.120 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncccn1)[C@H]1CCCO1 ZINC001332865473 975299029 /nfs/dbraw/zinc/29/90/29/975299029.db2.gz GELDGQIXVGTZCI-SDDRHHMPSA-N 0 1 235.331 2.085 20 0 BEADMN CCN1CC[C@H](N[C@H](C(C)=O)c2ccccc2)C1 ZINC001173351975 975299358 /nfs/dbraw/zinc/29/93/58/975299358.db2.gz GTQMNJPDWIWMCO-LSDHHAIUSA-N 0 1 246.354 2.001 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@H]2CC[C@H]2C)n1 ZINC001332891334 975309219 /nfs/dbraw/zinc/30/92/19/975309219.db2.gz ARSBRRMXWWSPCP-YWVKMMECSA-N 0 1 222.336 2.056 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nncs1 ZINC001332897156 975313549 /nfs/dbraw/zinc/31/35/49/975313549.db2.gz JMXPJDOGSAKQAY-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227268876 975341738 /nfs/dbraw/zinc/34/17/38/975341738.db2.gz VWXUYGGCKZVHIR-CBAPKCEASA-N 0 1 233.271 2.231 20 0 BEADMN Cc1cccc2nc(OCC(=O)OC(C)C)[nH]c21 ZINC001227269085 975342066 /nfs/dbraw/zinc/34/20/66/975342066.db2.gz ZNKHXMCWPBNKLK-UHFFFAOYSA-N 0 1 248.282 2.202 20 0 BEADMN Cc1cccc2nc(OC[C@@H]3CCCO3)[nH]c21 ZINC001227267287 975342455 /nfs/dbraw/zinc/34/24/55/975342455.db2.gz AVMKMTWCWRJGSZ-JTQLQIEISA-N 0 1 232.283 2.429 20 0 BEADMN C[C@H]1CC[C@@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227270386 975346210 /nfs/dbraw/zinc/34/62/10/975346210.db2.gz GUFNCINOTSRQRX-JGVFFNPUSA-N 0 1 233.271 2.231 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270926 975347959 /nfs/dbraw/zinc/34/79/59/975347959.db2.gz MWCIAXIDUYXVLO-JGVFFNPUSA-N 0 1 235.287 2.477 20 0 BEADMN CN1CCN(Cc2c[nH]c3cccc(F)c23)CC1 ZINC000258988580 975368780 /nfs/dbraw/zinc/36/87/80/975368780.db2.gz YZGIEUIJNCHQIU-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN CN(CCc1ccccc1)Cc1cn(C)cn1 ZINC001206199558 975370147 /nfs/dbraw/zinc/37/01/47/975370147.db2.gz XYKYMJGCSTUUQQ-UHFFFAOYSA-N 0 1 229.327 2.095 20 0 BEADMN COc1cc(CN2CC[C@@H]2C)cc(OC)c1O ZINC001204120312 975407931 /nfs/dbraw/zinc/40/79/31/975407931.db2.gz AWGHHFVYXWGHHT-VIFPVBQESA-N 0 1 237.299 2.004 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H]2OCCC[C@H]2C1 ZINC001333117495 975437838 /nfs/dbraw/zinc/43/78/38/975437838.db2.gz AEZDDLLVLIDMBK-FRRDWIJNSA-N 0 1 247.342 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001333117497 975445061 /nfs/dbraw/zinc/44/50/61/975445061.db2.gz AEZDDLLVLIDMBK-UPJWGTAASA-N 0 1 247.342 2.039 20 0 BEADMN CC(C)C(Oc1ncnc2nc[nH]c21)C(C)C ZINC001227530787 975510716 /nfs/dbraw/zinc/51/07/16/975510716.db2.gz BERCISBHSUDRJF-UHFFFAOYSA-N 0 1 234.303 2.412 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2ncnc3nc[nH]c32)C1 ZINC001227532347 975511473 /nfs/dbraw/zinc/51/14/73/975511473.db2.gz SSBPEVWCPCKOPU-RKDXNWHRSA-N 0 1 232.287 2.310 20 0 BEADMN CCCC[C@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227686510 975612223 /nfs/dbraw/zinc/61/22/23/975612223.db2.gz RLTDPNPGUAPGME-QMMMGPOBSA-N 0 1 238.287 2.170 20 0 BEADMN CC(C)C[C@H](C)Oc1nc(=O)[nH]c2c1COC2 ZINC001227690355 975614773 /nfs/dbraw/zinc/61/47/73/975614773.db2.gz LNAXEFKUKOCDLE-QMMMGPOBSA-N 0 1 238.287 2.026 20 0 BEADMN Cc1cccnc1NC(=O)[C@H]1CCCN1C(C)C ZINC001333346943 975685089 /nfs/dbraw/zinc/68/50/89/975685089.db2.gz XJRVECSISLFLDS-GFCCVEGCSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cccc(Nc2cc(=O)nc(N(C)C)[nH]2)c1 ZINC001173807463 975698243 /nfs/dbraw/zinc/69/82/43/975698243.db2.gz RQUJIPSLDQFHKS-UHFFFAOYSA-N 0 1 244.298 2.300 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806424 975705612 /nfs/dbraw/zinc/70/56/12/975705612.db2.gz JFAKTQOTENFXBE-HTQZYQBOSA-N 0 1 233.271 2.231 20 0 BEADMN C[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)c1ccco1 ZINC001227810396 975709792 /nfs/dbraw/zinc/70/97/92/975709792.db2.gz VJMCEGYWYXUWAG-SSDOTTSWSA-N 0 1 245.238 2.397 20 0 BEADMN CC[N@@H+](CC(=O)Nc1ncccc1C)C(C)(C)C ZINC001333415180 975757325 /nfs/dbraw/zinc/75/73/25/975757325.db2.gz XEDKQORXDUUWIP-UHFFFAOYSA-N 0 1 249.358 2.449 20 0 BEADMN c1cc([C@H]2CCCN2Cc2nnc[nH]2)cs1 ZINC001333570841 975857728 /nfs/dbraw/zinc/85/77/28/975857728.db2.gz BUDMXHDEYHDNPA-SNVBAGLBSA-N 0 1 234.328 2.203 20 0 BEADMN CCN1CCC[C@H](Oc2cnccc2C(C)=O)C1 ZINC001228038434 975864218 /nfs/dbraw/zinc/86/42/18/975864218.db2.gz BXLNCLYBHDJLSU-LBPRGKRZSA-N 0 1 248.326 2.147 20 0 BEADMN Cc1nnc(Nc2cccc(CO)c2Cl)o1 ZINC001212759340 975879238 /nfs/dbraw/zinc/87/92/38/975879238.db2.gz KGTXCDGXMKDPPV-UHFFFAOYSA-N 0 1 239.662 2.267 20 0 BEADMN CCCN(C)CC(=O)Nc1cccnc1C1CC1 ZINC001333610303 975890256 /nfs/dbraw/zinc/89/02/56/975890256.db2.gz HACQUKSOKIOHGH-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN COC(=O)c1sc(C)cc1Nc1ccncc1 ZINC001173879475 975914534 /nfs/dbraw/zinc/91/45/34/975914534.db2.gz PTESMKJAXDHEQF-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN c1ccc2nc(Nc3ccncc3)cnc2c1 ZINC001173881252 975917968 /nfs/dbraw/zinc/91/79/68/975917968.db2.gz JGCXXAUVNWTAJJ-UHFFFAOYSA-N 0 1 222.251 2.190 20 0 BEADMN FC(F)Oc1ccc(Nc2ccncc2)cn1 ZINC001173881256 975920337 /nfs/dbraw/zinc/92/03/37/975920337.db2.gz JJKLNBIUCRPCOP-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN Clc1ncc(Nc2ccncc2)c(Cl)n1 ZINC001173881989 975930483 /nfs/dbraw/zinc/93/04/83/975930483.db2.gz QFWCDWISUNPDSI-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN CC(C)c1nccnc1Nc1ccncc1 ZINC001173882038 975931203 /nfs/dbraw/zinc/93/12/03/975931203.db2.gz HYMHCDWGBJSIAH-UHFFFAOYSA-N 0 1 214.272 2.161 20 0 BEADMN Fc1ccc2c(Nc3ccncc3)cnn2c1 ZINC001173882275 975935974 /nfs/dbraw/zinc/93/59/74/975935974.db2.gz MENNMJLDHWZVTR-UHFFFAOYSA-N 0 1 228.230 2.034 20 0 BEADMN COC(=O)c1cc(C)ccc1Nc1ccncc1 ZINC001173883125 975941751 /nfs/dbraw/zinc/94/17/51/975941751.db2.gz IGQMXLLKGDTMAH-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN CCC(CC)(CC)[S@](=O)Cc1nc[nH]n1 ZINC001333655662 975942987 /nfs/dbraw/zinc/94/29/87/975942987.db2.gz LIUNWQMUBUAIPD-OAHLLOKOSA-N 0 1 229.349 2.022 20 0 BEADMN Cc1cc(Nc2ccncc2)n(CC2CC2)n1 ZINC001173882947 975947210 /nfs/dbraw/zinc/94/72/10/975947210.db2.gz XPRBWKRMHLKGCB-UHFFFAOYSA-N 0 1 228.299 2.162 20 0 BEADMN Cn1ncc2cccc(Nc3ccncc3)c21 ZINC001173883265 975948071 /nfs/dbraw/zinc/94/80/71/975948071.db2.gz DQQAVBXJNOBING-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001333666871 975960407 /nfs/dbraw/zinc/96/04/07/975960407.db2.gz RAFMGJLLKWIZGC-PRHODGIISA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC001333666871 975960432 /nfs/dbraw/zinc/96/04/32/975960432.db2.gz RAFMGJLLKWIZGC-PRHODGIISA-N 0 1 234.303 2.057 20 0 BEADMN Cn1cc2ccc(Nc3ccncc3)cc2n1 ZINC001173883442 975961080 /nfs/dbraw/zinc/96/10/80/975961080.db2.gz JNYIREVUCVYDQI-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN O[C@H]1CCOc2c(Nc3ccncc3)cccc21 ZINC001173884137 975972918 /nfs/dbraw/zinc/97/29/18/975972918.db2.gz JJGHCPUOARZOEU-ZDUSSCGKSA-N 0 1 242.278 2.063 20 0 BEADMN Cc1ccc(CCCO)c(Nc2ccncc2)c1 ZINC001173884770 975973803 /nfs/dbraw/zinc/97/38/03/975973803.db2.gz QMSCNKQOBWEJJH-UHFFFAOYSA-N 0 1 242.322 2.480 20 0 BEADMN O[C@@H]1CCc2ccc(Nc3ccncc3)cc21 ZINC001173885253 975978200 /nfs/dbraw/zinc/97/82/00/975978200.db2.gz QFVCSMYMAVMDFJ-CQSZACIVSA-N 0 1 226.279 2.227 20 0 BEADMN COc1cccc(Nc2nccn2C)c1F ZINC001173970913 976008442 /nfs/dbraw/zinc/00/84/42/976008442.db2.gz DQZKVHRFYUKMHQ-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN CC(C)n1ccc(CSCc2nnc[nH]2)n1 ZINC001333737143 976047729 /nfs/dbraw/zinc/04/77/29/976047729.db2.gz QAJIEMFHWRTVNI-UHFFFAOYSA-N 0 1 237.332 2.016 20 0 BEADMN CCn1cc(CN2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC001333745264 976054446 /nfs/dbraw/zinc/05/44/46/976054446.db2.gz HIHXBFLOWZPVPN-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1cc(CN2CC[C@H]3CCCC[C@H]3C2)nn1 ZINC001333745265 976056649 /nfs/dbraw/zinc/05/66/49/976056649.db2.gz HIHXBFLOWZPVPN-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1nc2ccc(O[C@H]3CCCOC3)cc2[nH]1 ZINC001228326083 976118720 /nfs/dbraw/zinc/11/87/20/976118720.db2.gz DVALETMVOQRSTJ-NSHDSACASA-N 0 1 232.283 2.429 20 0 BEADMN CCOC(=O)[C@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228326070 976119852 /nfs/dbraw/zinc/11/98/52/976119852.db2.gz DPCQHCFZNKOIDI-QMMMGPOBSA-N 0 1 248.282 2.202 20 0 BEADMN Cc1nc2ccc(OC3CCOCC3)cc2[nH]1 ZINC001228326071 976125101 /nfs/dbraw/zinc/12/51/01/976125101.db2.gz DQKKPTPKELOCPS-UHFFFAOYSA-N 0 1 232.283 2.429 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC(Cc2ccoc2)C1 ZINC001333893488 976147570 /nfs/dbraw/zinc/14/75/70/976147570.db2.gz BALOWFAKBRRCCM-UHFFFAOYSA-N 0 1 245.326 2.294 20 0 BEADMN CN(C)c1ncc(CNC/C=C\Cl)s1 ZINC001333895617 976149659 /nfs/dbraw/zinc/14/96/59/976149659.db2.gz PUJSKNZHHQWSPM-ARJAWSKDSA-N 0 1 231.752 2.051 20 0 BEADMN CCC1CCC(Oc2nc(O)cc(=O)[nH]2)CC1 ZINC001228388376 976179332 /nfs/dbraw/zinc/17/93/32/976179332.db2.gz ILLCZFKOXQCVGP-UHFFFAOYSA-N 0 1 238.287 2.235 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228388143 976180442 /nfs/dbraw/zinc/18/04/42/976180442.db2.gz GOGLNEWYBIFOEN-IWSPIJDZSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@H](Oc1nc(=O)[nH]cc1Cl)C(F)(F)F ZINC001228480740 976244763 /nfs/dbraw/zinc/24/47/63/976244763.db2.gz OFDCZTRYYWWUEH-VKHMYHEASA-N 0 1 242.584 2.165 20 0 BEADMN COCC1=CCN(Cc2cc(C)cc(C)n2)CC1 ZINC001334093220 976300548 /nfs/dbraw/zinc/30/05/48/976300548.db2.gz KXQUFXLPCKIOOK-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1ncn(C)c1Nc1cnccc1C ZINC001174116874 976338290 /nfs/dbraw/zinc/33/82/90/976338290.db2.gz NWEVGOIZIFLOIB-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN Cc1cnc(F)c(O[C@@H]2CCCN(C)C2)c1 ZINC001228586383 976355112 /nfs/dbraw/zinc/35/51/12/976355112.db2.gz KOVNQVXVFUARLR-SNVBAGLBSA-N 0 1 224.279 2.002 20 0 BEADMN Cc1n[nH]c(C)c1Nc1nonc1C1CC1 ZINC001174213582 976390352 /nfs/dbraw/zinc/39/03/52/976390352.db2.gz JBCIIUDYMJETSQ-UHFFFAOYSA-N 0 1 219.248 2.031 20 0 BEADMN Cc1ncoc1CNCC1(C(F)(F)F)CC1 ZINC001334279111 976420363 /nfs/dbraw/zinc/42/03/63/976420363.db2.gz BEPIBQFZRFNZEP-UHFFFAOYSA-N 0 1 234.221 2.415 20 0 BEADMN COC1CCC(Oc2ccc3[nH]nnc3c2)CC1 ZINC001228666807 976422190 /nfs/dbraw/zinc/42/21/90/976422190.db2.gz JDSFGKVDHVQRRE-UHFFFAOYSA-N 0 1 247.298 2.294 20 0 BEADMN Nc1cncn1-c1cccc(N2CCCCC2)c1 ZINC001174301869 976490383 /nfs/dbraw/zinc/49/03/83/976490383.db2.gz LRKKSDFIDKJWHA-UHFFFAOYSA-N 0 1 242.326 2.445 20 0 BEADMN O=c1cc(Nc2ccc3nccn3c2)cc[nH]1 ZINC001174276177 976504122 /nfs/dbraw/zinc/50/41/22/976504122.db2.gz RRIPPOIAIHXIAH-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN Cn1nccc1Nc1cccc2[nH]ncc21 ZINC001174342023 976562653 /nfs/dbraw/zinc/56/26/53/976562653.db2.gz AVQIEHLGGRPJFG-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN c1n[nH]c2cccc(Nc3cccnn3)c12 ZINC001174342053 976563845 /nfs/dbraw/zinc/56/38/45/976563845.db2.gz CHRPZQCPUZDVRP-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN c1cc(Nc2cccc3[nH]ncc32)no1 ZINC001174343003 976566931 /nfs/dbraw/zinc/56/69/31/976566931.db2.gz ZFVHFJMZNSKQGV-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN c1cc(Nc2cccc3[nH]ncc32)on1 ZINC001174343676 976570703 /nfs/dbraw/zinc/57/07/03/976570703.db2.gz YUGREAHPFWZKEI-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN FCCn1nccc1Nc1cccc2[nH]ncc21 ZINC001174343810 976570882 /nfs/dbraw/zinc/57/08/82/976570882.db2.gz ZFEIVJIUVAHMSB-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN c1nnsc1Nc1cccc2[nH]ncc21 ZINC001174344029 976574184 /nfs/dbraw/zinc/57/41/84/976574184.db2.gz VETMARBIWSHWRO-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Cc1c(Nc2cccc3[nH]ncc32)cnn1C ZINC001174343626 976574461 /nfs/dbraw/zinc/57/44/61/976574461.db2.gz XKFBZXRCXBJUOQ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H](C)C2CCCC2)n1 ZINC001228919478 976578989 /nfs/dbraw/zinc/57/89/89/976578989.db2.gz YMJPDPGPPPBXON-QMMMGPOBSA-N 0 1 238.287 2.148 20 0 BEADMN COc1cccc(F)c1CN[C@@H](C)[C@H](C)OC ZINC001334694919 976588141 /nfs/dbraw/zinc/58/81/41/976588141.db2.gz UFCHDIHJZCWXJZ-UWVGGRQHSA-N 0 1 241.306 2.347 20 0 BEADMN CCC(=O)[C@@H](CC)Oc1nnc2c[nH]ccc1-2 ZINC001228989394 976613184 /nfs/dbraw/zinc/61/31/84/976613184.db2.gz ICZMEQZIAQHVFW-LLVKDONJSA-N 0 1 233.271 2.094 20 0 BEADMN CO[C@H]1CCCC[C@@H]1Oc1nnc2c[nH]ccc1-2 ZINC001228995805 976626380 /nfs/dbraw/zinc/62/63/80/976626380.db2.gz YSYSKLLXMSOGFH-RYUDHWBXSA-N 0 1 247.298 2.294 20 0 BEADMN COc1nnc(CN[C@@H]2CCCC[C@H]2C)s1 ZINC001334770407 976638362 /nfs/dbraw/zinc/63/83/62/976638362.db2.gz DNEPVKVKVKVMDM-RKDXNWHRSA-N 0 1 241.360 2.215 20 0 BEADMN CC(C)(O)c1cccc(Nc2ccncc2)c1 ZINC001174405071 976691425 /nfs/dbraw/zinc/69/14/25/976691425.db2.gz LEVVIHFLWUMQDO-UHFFFAOYSA-N 0 1 228.295 2.475 20 0 BEADMN CC(C)CCn1cc(Nc2cncn2C)cn1 ZINC001174411505 976705205 /nfs/dbraw/zinc/70/52/05/976705205.db2.gz DHFIRRMLTIWLAR-UHFFFAOYSA-N 0 1 233.319 2.406 20 0 BEADMN Nc1cncn1-c1cccc(N2CCCC2)c1 ZINC001174487135 976708777 /nfs/dbraw/zinc/70/87/77/976708777.db2.gz JPFUIEYMGDUHQK-UHFFFAOYSA-N 0 1 228.299 2.055 20 0 BEADMN Cc1cnc(Nc2ccc3cn[nH]c3c2)cn1 ZINC001174498832 976727564 /nfs/dbraw/zinc/72/75/64/976727564.db2.gz JPYIGDYNGUQILQ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN OCc1cc(Nc2ccc3cn[nH]c3c2)ccn1 ZINC001174498769 976729017 /nfs/dbraw/zinc/72/90/17/976729017.db2.gz RSPNGKBECFOBJY-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1cc(Nc2ccc3c[nH]nc3c2)ccn1 ZINC001174498769 976729028 /nfs/dbraw/zinc/72/90/28/976729028.db2.gz RSPNGKBECFOBJY-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Oc1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174498815 976732130 /nfs/dbraw/zinc/73/21/30/976732130.db2.gz JAGXAWMFFRHAPW-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC=CCCC2)[nH]1 ZINC001335016450 976826912 /nfs/dbraw/zinc/82/69/12/976826912.db2.gz LBNJDIMFRHYEDV-JTQLQIEISA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC=CCCC2)n1 ZINC001335016450 976826915 /nfs/dbraw/zinc/82/69/15/976826915.db2.gz LBNJDIMFRHYEDV-JTQLQIEISA-N 0 1 248.330 2.442 20 0 BEADMN Cc1ncn(-c2cccc(-c3cc[nH]n3)c2)c1N ZINC001174506539 976834226 /nfs/dbraw/zinc/83/42/26/976834226.db2.gz KSUHDCUXRAENIO-UHFFFAOYSA-N 0 1 239.282 2.153 20 0 BEADMN Cc1cc(F)ncc1C[N@H+]1CC[C@H](CF)C1 ZINC001335089102 976847701 /nfs/dbraw/zinc/84/77/01/976847701.db2.gz LALNCZIRNFKRCQ-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN Cc1cc(F)ncc1CN1CC[C@H](CF)C1 ZINC001335089102 976847707 /nfs/dbraw/zinc/84/77/07/976847707.db2.gz LALNCZIRNFKRCQ-SNVBAGLBSA-N 0 1 226.270 2.321 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[nH]1 ZINC001335263059 976907883 /nfs/dbraw/zinc/90/78/83/976907883.db2.gz PKZKYCBBXIUMQB-ILWJIGKKSA-N 0 1 248.330 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)n1 ZINC001335263059 976907891 /nfs/dbraw/zinc/90/78/91/976907891.db2.gz PKZKYCBBXIUMQB-ILWJIGKKSA-N 0 1 248.330 2.132 20 0 BEADMN c1cc2c(cccc2Nc2nnco2)[nH]1 ZINC001174644522 976912581 /nfs/dbraw/zinc/91/25/81/976912581.db2.gz GHSYLDDTQYYDBO-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN COc1ccc2nc(OC3CCOCC3)[nH]c2c1 ZINC001229726156 976968044 /nfs/dbraw/zinc/96/80/44/976968044.db2.gz BQIWEBADHWPGEG-UHFFFAOYSA-N 0 1 248.282 2.129 20 0 BEADMN Cc1ncn(-c2ccc3c(c2)CCCO3)c1N ZINC001174720563 976970581 /nfs/dbraw/zinc/97/05/81/976970581.db2.gz VMTGZNKPIINGKD-UHFFFAOYSA-N 0 1 229.283 2.088 20 0 BEADMN C[C@H](NC[C@@H](O)CC1CCCC1)c1cnccn1 ZINC001335521573 977114501 /nfs/dbraw/zinc/11/45/01/977114501.db2.gz YPHUYKHVDOOGLB-AAEUAGOBSA-N 0 1 249.358 2.068 20 0 BEADMN Cc1ncn(-c2cc(F)ccc2C)c1N ZINC001174885321 977114746 /nfs/dbraw/zinc/11/47/46/977114746.db2.gz CEQGWMCPPQWUPO-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@H](F)C2)s1 ZINC001335540556 977129871 /nfs/dbraw/zinc/12/98/71/977129871.db2.gz PLCZSMCGAWBXTE-DTWKUNHWSA-N 0 1 229.324 2.217 20 0 BEADMN COC[C@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230222174 977131285 /nfs/dbraw/zinc/13/12/85/977131285.db2.gz DSFFSQBNXQFKPY-VIFPVBQESA-N 0 1 220.272 2.285 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@H]1CCO1 ZINC001230223090 977131977 /nfs/dbraw/zinc/13/19/77/977131977.db2.gz LZJFRALRYUSTQZ-SNVBAGLBSA-N 0 1 218.256 2.039 20 0 BEADMN COC(=O)c1c[nH]c(OC(C(C)C)C(C)C)n1 ZINC001230281818 977157311 /nfs/dbraw/zinc/15/73/11/977157311.db2.gz IFDRENUQPWFKSD-UHFFFAOYSA-N 0 1 240.303 2.256 20 0 BEADMN Cn1cncc1Nc1ccc2occc(=O)c2c1 ZINC001174943579 977184184 /nfs/dbraw/zinc/18/41/84/977184184.db2.gz KRADMUMFHGMLBW-UHFFFAOYSA-N 0 1 241.250 2.270 20 0 BEADMN CCOc1cc(F)cc(-n2cnc(C)c2N)c1 ZINC001175002424 977205509 /nfs/dbraw/zinc/20/55/09/977205509.db2.gz MWIBJIJXILEMAA-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN COc1ccc(Nc2nccn2C)c(F)c1F ZINC001175019130 977216318 /nfs/dbraw/zinc/21/63/18/977216318.db2.gz CKPLQUARLDCLGC-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)cc1F ZINC001175067181 977225350 /nfs/dbraw/zinc/22/53/50/977225350.db2.gz HBFHNGFKLZCCIB-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN COc1cc(C)c(-n2cncc2N)cc1C ZINC001175110551 977254275 /nfs/dbraw/zinc/25/42/75/977254275.db2.gz JTKMZJSNHXWTKC-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CCOc1ccc(F)cc1-n1cnc(C)c1N ZINC001175079844 977260662 /nfs/dbraw/zinc/26/06/62/977260662.db2.gz RCGCUPWNRLCOCX-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CCOc1ccc(-n2cncc2N)cc1C ZINC001175167019 977318330 /nfs/dbraw/zinc/31/83/30/977318330.db2.gz PJRXTKDHXQWRRF-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN CC(=O)c1ccccc1Nc1cncn1C ZINC001175174279 977322399 /nfs/dbraw/zinc/32/23/99/977322399.db2.gz CQFGBHNPFLPPIW-UHFFFAOYSA-N 0 1 215.256 2.366 20 0 BEADMN CCOc1cc(F)ccc1Nc1nnco1 ZINC001175287671 977349996 /nfs/dbraw/zinc/34/99/96/977349996.db2.gz KJSLRCOXGFMRLD-UHFFFAOYSA-N 0 1 223.207 2.351 20 0 BEADMN COc1ccc2nc(=O)[nH]c(OC(C)C)c2c1 ZINC001230853368 977350405 /nfs/dbraw/zinc/35/04/05/977350405.db2.gz IUZFGUYNEQPNCS-UHFFFAOYSA-N 0 1 234.255 2.131 20 0 BEADMN C[C@H]1CC[C@@H](Oc2[nH+][nH]cc3nncc2-3)CC1 ZINC001230900083 977369147 /nfs/dbraw/zinc/36/91/47/977369147.db2.gz CUQIKXPNXKDVHN-DTORHVGOSA-N 0 1 232.287 2.310 20 0 BEADMN Cc1ncn(-c2ccc(C)cc2F)c1N ZINC001175324125 977371842 /nfs/dbraw/zinc/37/18/42/977371842.db2.gz NKHIWFUKRDYCGF-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN COc1ncc(C)cc1Nc1ccnc(CO)c1 ZINC001175335464 977379643 /nfs/dbraw/zinc/37/96/43/977379643.db2.gz GMDLKMKQLYCEIU-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN Cc1c2c[nH]nc2ccc1-n1cc(N)c(Cl)n1 ZINC001175465531 977433933 /nfs/dbraw/zinc/43/39/33/977433933.db2.gz WUEJUBWFRRPHSK-UHFFFAOYSA-N 0 1 247.689 2.293 20 0 BEADMN Cc1ncn(C)c1Nc1ccc([S@@](C)=O)cc1 ZINC001175476071 977438454 /nfs/dbraw/zinc/43/84/54/977438454.db2.gz RJGILAXBGZKAJW-QGZVFWFLSA-N 0 1 249.339 2.210 20 0 BEADMN Cc1ncn(C)c1Nc1ccc([S@](C)=O)cc1 ZINC001175476070 977440036 /nfs/dbraw/zinc/44/00/36/977440036.db2.gz RJGILAXBGZKAJW-KRWDZBQOSA-N 0 1 249.339 2.210 20 0 BEADMN Cc1nonc1Nc1cccc2cn(C)nc21 ZINC001175457616 977469383 /nfs/dbraw/zinc/46/93/83/977469383.db2.gz LYIZPSQEBRDMFF-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ncccn1 ZINC001175524418 977501659 /nfs/dbraw/zinc/50/16/59/977501659.db2.gz CBIOBRKYDWCMCD-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cnns1 ZINC001175523464 977508829 /nfs/dbraw/zinc/50/88/29/977508829.db2.gz GXILSDKATACKMZ-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](CF)C1 ZINC000711489724 977550859 /nfs/dbraw/zinc/55/08/59/977550859.db2.gz KOPJCCSAYVGLOO-RKDXNWHRSA-N 0 1 241.262 2.330 20 0 BEADMN Cc1ccnc(NC2=CCCN(C)C2)c1 ZINC001175572566 977564977 /nfs/dbraw/zinc/56/49/77/977564977.db2.gz HZSGXSVTQPVKKY-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN Cc1cc(NC2=CCCN(C)C2)cnc1F ZINC001175575123 977573087 /nfs/dbraw/zinc/57/30/87/977573087.db2.gz LWDDJLNJQPLGDY-UHFFFAOYSA-N 0 1 221.279 2.160 20 0 BEADMN CCOc1cncc(NC2=CCCN(C)C2)c1 ZINC001175576366 977577827 /nfs/dbraw/zinc/57/78/27/977577827.db2.gz HDGLUCUGTWFYOK-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN CN1CCCC(=Nc2cnc3ccccc3n2)C1 ZINC001175576053 977578394 /nfs/dbraw/zinc/57/83/94/977578394.db2.gz CRKODOKWHNWQSN-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN CN1CCC=C(Nc2cnc3ccccc3n2)C1 ZINC001175576053 977578401 /nfs/dbraw/zinc/57/84/01/977578401.db2.gz CRKODOKWHNWQSN-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN COc1cc(NC2=CCCN(C)C2)ncc1C ZINC001175576526 977579902 /nfs/dbraw/zinc/57/99/02/977579902.db2.gz JSXHRPHZXUEEAX-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN Cc1cc(N)c(F)cc1NC1=CCCN(C)C1 ZINC001175577640 977584917 /nfs/dbraw/zinc/58/49/17/977584917.db2.gz FRRHRSHAQKQOMU-UHFFFAOYSA-N 0 1 235.306 2.348 20 0 BEADMN CN1CCC=C(Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC001175577567 977591147 /nfs/dbraw/zinc/59/11/47/977591147.db2.gz CTDXNYDKBYFLGC-UHFFFAOYSA-N 0 1 245.282 2.165 20 0 BEADMN CN1CCC=C(Nc2cccc(F)c2O)C1 ZINC001175578833 977595233 /nfs/dbraw/zinc/59/52/33/977595233.db2.gz KGZVZFUGEGPECA-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN CC(=O)Nc1ccccc1NC1=CCCN(C)C1 ZINC001175580330 977598009 /nfs/dbraw/zinc/59/80/09/977598009.db2.gz YSAQTYLRANSQOD-UHFFFAOYSA-N 0 1 245.326 2.276 20 0 BEADMN F[C@H]1CCN(Cc2c[nH]c3cccnc23)C1 ZINC001231486277 977608542 /nfs/dbraw/zinc/60/85/42/977608542.db2.gz PAIXYUHHRFZGPG-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN C[C@H]1CN(Cc2c[nH]c3cnccc23)C[C@H](C)O1 ZINC001231514222 977616480 /nfs/dbraw/zinc/61/64/80/977616480.db2.gz NJADAQDSTYLBNI-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN CCc1ccc(CN(CC)C2CN(C)C2)s1 ZINC001231503351 977617620 /nfs/dbraw/zinc/61/76/20/977617620.db2.gz YTWBNLVPNGEHPF-UHFFFAOYSA-N 0 1 238.400 2.446 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cn(C)cn3)cc12 ZINC001175692874 977623607 /nfs/dbraw/zinc/62/36/07/977623607.db2.gz OBRUNYSHZILZJG-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN F[C@H]1CCN(Cc2c[nH]c3cnccc23)C1 ZINC001231515898 977623753 /nfs/dbraw/zinc/62/37/53/977623753.db2.gz OQANCBJCVJDJNX-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN Cc1[nH]nc2cc(Nc3cnns3)ccc12 ZINC001175656233 977635336 /nfs/dbraw/zinc/63/53/36/977635336.db2.gz BOLROSYVHPALNJ-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1[nH]nc2cc(Nc3c[nH]ccc3=O)ccc12 ZINC001175661220 977641512 /nfs/dbraw/zinc/64/15/12/977641512.db2.gz FRXJLQCXBNYEAD-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN COc1cc(F)ccc1CN(C)[C@@H]1CCOC1 ZINC001231604315 977650436 /nfs/dbraw/zinc/65/04/36/977650436.db2.gz YUZKDQKQYNUNOX-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2nccnc2CN)[C@@H]1C ZINC001336439953 977687046 /nfs/dbraw/zinc/68/70/46/977687046.db2.gz RUJHTOKHAUQYBF-GMTAPVOTSA-N 0 1 234.347 2.172 20 0 BEADMN c1nc(OC2COC2)ncc1N=C1CCCCC1 ZINC001175753084 977703008 /nfs/dbraw/zinc/70/30/08/977703008.db2.gz QCBZTLISHKBRKH-UHFFFAOYSA-N 0 1 247.298 2.124 20 0 BEADMN COc1ccc(CN2CC[C@@H]2C)cc1OC(C)=O ZINC001231706304 977706020 /nfs/dbraw/zinc/70/60/20/977706020.db2.gz SQYGUOXHWIOXIP-JTQLQIEISA-N 0 1 249.310 2.215 20 0 BEADMN COc1ccc(CN2CC(C)C2)cc1OC(C)=O ZINC001231703933 977711119 /nfs/dbraw/zinc/71/11/19/977711119.db2.gz MESOSWZIRWSKMR-UHFFFAOYSA-N 0 1 249.310 2.072 20 0 BEADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)[C@H]1CCOC1 ZINC001231734456 977719441 /nfs/dbraw/zinc/71/94/41/977719441.db2.gz ZXWCSSVPDRPVQV-JTQLQIEISA-N 0 1 241.718 2.266 20 0 BEADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)[C@H]1CCOC1 ZINC001231734456 977719449 /nfs/dbraw/zinc/71/94/49/977719449.db2.gz ZXWCSSVPDRPVQV-JTQLQIEISA-N 0 1 241.718 2.266 20 0 BEADMN CCOc1ncccc1CN1CCC[C@H]2C[C@H]21 ZINC001231766238 977743079 /nfs/dbraw/zinc/74/30/79/977743079.db2.gz ZJAVRVOUTSMKRV-WCQYABFASA-N 0 1 232.327 2.465 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@@H](C)CC2)cn1 ZINC001231938249 977806233 /nfs/dbraw/zinc/80/62/33/977806233.db2.gz BXLWAGVGQQVQFQ-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN Fc1cncc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175995360 977850141 /nfs/dbraw/zinc/85/01/41/977850141.db2.gz BPKXEIZTYBMNOC-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1cncc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175995360 977850146 /nfs/dbraw/zinc/85/01/46/977850146.db2.gz BPKXEIZTYBMNOC-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CCCC1CCN(Cc2ccc(=O)[nH]n2)CC1 ZINC001232024173 977854062 /nfs/dbraw/zinc/85/40/62/977854062.db2.gz KHMDIOQWDALEDR-UHFFFAOYSA-N 0 1 235.331 2.194 20 0 BEADMN c1nc(Nc2ccc3nn[nH]c3c2)cs1 ZINC001175999308 977855187 /nfs/dbraw/zinc/85/51/87/977855187.db2.gz XFCVMCVATZJOSO-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN c1nc(Nc2ccc3n[nH]nc3c2)cs1 ZINC001175999308 977855191 /nfs/dbraw/zinc/85/51/91/977855191.db2.gz XFCVMCVATZJOSO-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Clc1cnc(Nc2ccc3nn[nH]c3c2)cn1 ZINC001175996702 977856338 /nfs/dbraw/zinc/85/63/38/977856338.db2.gz UAEBPTCBQFTJMP-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Clc1cnc(Nc2ccc3n[nH]nc3c2)cn1 ZINC001175996702 977856341 /nfs/dbraw/zinc/85/63/41/977856341.db2.gz UAEBPTCBQFTJMP-UHFFFAOYSA-N 0 1 246.661 2.145 20 0 BEADMN Fc1ccc(F)c(Nc2ccc3nn[nH]c3c2)n1 ZINC001176001918 977857286 /nfs/dbraw/zinc/85/72/86/977857286.db2.gz LJWVARHJTVFJNE-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1ccc(F)c(Nc2ccc3n[nH]nc3c2)n1 ZINC001176001918 977857290 /nfs/dbraw/zinc/85/72/90/977857290.db2.gz LJWVARHJTVFJNE-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Cc1c[nH]c(=O)cc1Nc1ccc2nn[nH]c2c1 ZINC001175998293 977858232 /nfs/dbraw/zinc/85/82/32/977858232.db2.gz ISVOTQINGNHVOK-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1c[nH]c(=O)cc1Nc1ccc2n[nH]nc2c1 ZINC001175998293 977858236 /nfs/dbraw/zinc/85/82/36/977858236.db2.gz ISVOTQINGNHVOK-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN OCc1cccc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002918 977861682 /nfs/dbraw/zinc/86/16/82/977861682.db2.gz YMFWANBYQJBVHX-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1cccc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002918 977861688 /nfs/dbraw/zinc/86/16/88/977861688.db2.gz YMFWANBYQJBVHX-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC001594873374 977865337 /nfs/dbraw/zinc/86/53/37/977865337.db2.gz NJDQKPPKZSPCKT-UWVGGRQHSA-N 0 1 245.388 2.313 20 0 BEADMN Cn1c(Nc2ncc[nH]2)nc2ccccc21 ZINC001176079021 977874030 /nfs/dbraw/zinc/87/40/30/977874030.db2.gz CTXAFZOFAABCOK-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cncc(O)c2)C2(CC2)C1 ZINC001232046679 977874902 /nfs/dbraw/zinc/87/49/02/977874902.db2.gz MKSMNDMUQHXTEE-JTQLQIEISA-N 0 1 218.300 2.162 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cncc(O)c2)C2(CC2)C1 ZINC001232046680 977875324 /nfs/dbraw/zinc/87/53/24/977875324.db2.gz MKSMNDMUQHXTEE-SNVBAGLBSA-N 0 1 218.300 2.162 20 0 BEADMN O=c1cc(C(F)(F)F)[nH]cc1Nc1ncc[nH]1 ZINC001176081971 977876493 /nfs/dbraw/zinc/87/64/93/977876493.db2.gz MKGPXZRMNVJENK-UHFFFAOYSA-N 0 1 244.176 2.273 20 0 BEADMN Fc1ccc2nc(NCCN3CC=CC3)oc2c1 ZINC001336710048 977876484 /nfs/dbraw/zinc/87/64/84/977876484.db2.gz OGVAFQHPCRSKPY-UHFFFAOYSA-N 0 1 247.273 2.251 20 0 BEADMN CO[C@H]1CCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232063143 977878860 /nfs/dbraw/zinc/87/88/60/977878860.db2.gz JEMRYHOGXVRAGZ-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN COC(=O)c1c(C)scc1Nc1ncc[nH]1 ZINC001176082034 977880992 /nfs/dbraw/zinc/88/09/92/977880992.db2.gz PSZQEKKMADBTPI-UHFFFAOYSA-N 0 1 237.284 2.310 20 0 BEADMN Nc1cc(Cl)c(Cl)nc1Nc1ncc[nH]1 ZINC001176082483 977881518 /nfs/dbraw/zinc/88/15/18/977881518.db2.gz MSTYNLOAONIXRU-UHFFFAOYSA-N 0 1 244.085 2.437 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C)n1 ZINC001232080350 977882145 /nfs/dbraw/zinc/88/21/45/977882145.db2.gz BIYPCVFBZLUUNM-MELADBBJSA-N 0 1 234.318 2.488 20 0 BEADMN COc1cccc(C(C)=O)c1Nc1ncc[nH]1 ZINC001176084676 977885377 /nfs/dbraw/zinc/88/53/77/977885377.db2.gz ATJBRTCNAQJPOK-UHFFFAOYSA-N 0 1 231.255 2.365 20 0 BEADMN Oc1cc(Nc2ncc[nH]2)c(F)cc1F ZINC001176084869 977886776 /nfs/dbraw/zinc/88/67/76/977886776.db2.gz SKQWXTQIKPKWQR-UHFFFAOYSA-N 0 1 211.171 2.137 20 0 BEADMN C[C@H]1CN(Cc2cc3ccncc3[nH]2)CCCO1 ZINC001232090526 977888949 /nfs/dbraw/zinc/88/89/49/977888949.db2.gz IEPFOMNHUZKRHO-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nc2C(F)(F)F)C1 ZINC001232085692 977890365 /nfs/dbraw/zinc/89/03/65/977890365.db2.gz FROGKJQPZIGNFY-MRVPVSSYSA-N 0 1 247.264 2.281 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001594960291 977893360 /nfs/dbraw/zinc/89/33/60/977893360.db2.gz AYVSXFZKHCSJCG-QMMMGPOBSA-N 0 1 242.344 2.319 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001594960288 977893177 /nfs/dbraw/zinc/89/31/77/977893177.db2.gz AYVSXFZKHCSJCG-MRVPVSSYSA-N 0 1 242.344 2.319 20 0 BEADMN COC(=O)Cc1ccc(F)c(Nc2ncc[nH]2)c1 ZINC001176090957 977894551 /nfs/dbraw/zinc/89/45/51/977894551.db2.gz SLSMOJWBPMONKX-UHFFFAOYSA-N 0 1 249.245 2.008 20 0 BEADMN COC(=O)c1ccc(NC2=CCOCC2)s1 ZINC001176139315 977911287 /nfs/dbraw/zinc/91/12/87/977911287.db2.gz QWCLJCOVRJVJEB-UHFFFAOYSA-N 0 1 239.296 2.251 20 0 BEADMN CC(C)(C)N1CCN(Cc2ccns2)CC1 ZINC001232191807 977914886 /nfs/dbraw/zinc/91/48/86/977914886.db2.gz GXHGBAHCGNTPOF-UHFFFAOYSA-N 0 1 239.388 2.059 20 0 BEADMN CO[C@H]1CCCN(Cc2ncsc2C)CC1 ZINC001232207327 977930060 /nfs/dbraw/zinc/93/00/60/977930060.db2.gz YSDLFDQPPAQGOO-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CC(C)Cn1cnc(N=C2CCOCC2)c1 ZINC001176143836 977930356 /nfs/dbraw/zinc/93/03/56/977930356.db2.gz HSMLDBMZNBZUNQ-UHFFFAOYSA-N 0 1 221.304 2.255 20 0 BEADMN CO[C@H]1CCN(Cc2ncsc2C)[C@@H](C)C1 ZINC001232206425 977931774 /nfs/dbraw/zinc/93/17/74/977931774.db2.gz GTWOJAPYEHKUPM-ONGXEEELSA-N 0 1 240.372 2.451 20 0 BEADMN O=C([O-])C[N@@H+](CCCC(F)(F)F)C1CCC1 ZINC001595071357 977940319 /nfs/dbraw/zinc/94/03/19/977940319.db2.gz LEZHQUSMVMTRNJ-UHFFFAOYSA-N 0 1 239.237 2.268 20 0 BEADMN Cc1scnc1CN1CC[C@@H]2OCC[C@H]2C1 ZINC001232212399 977946397 /nfs/dbraw/zinc/94/63/97/977946397.db2.gz PWIXUZKUPIJCBE-JQWIXIFHSA-N 0 1 238.356 2.062 20 0 BEADMN CCC[N@@H+](C)Cc1cccc(COC)n1 ZINC001232251323 977980233 /nfs/dbraw/zinc/98/02/33/977980233.db2.gz RTNLIIXKYIJGAV-UHFFFAOYSA-N 0 1 208.305 2.070 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]2C)c(C)n1 ZINC001232307671 978000088 /nfs/dbraw/zinc/00/00/88/978000088.db2.gz DPUQUKIYFUMFQL-JTQLQIEISA-N 0 1 220.316 2.383 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC001595242218 978005282 /nfs/dbraw/zinc/00/52/82/978005282.db2.gz RGAQNZMXBQWJOD-CYBMUJFWSA-N 0 1 231.295 2.369 20 0 BEADMN Cn1cncc1Nc1cncc(C2CC2)c1 ZINC001176283417 978010042 /nfs/dbraw/zinc/01/00/42/978010042.db2.gz SKSYSDWCQOLKLG-UHFFFAOYSA-N 0 1 214.272 2.436 20 0 BEADMN Cc1nc(N)ccc1C[N@H+]1CCCCC12CC2 ZINC001232343385 978024341 /nfs/dbraw/zinc/02/43/41/978024341.db2.gz XONHOOFQINSYDX-UHFFFAOYSA-N 0 1 231.343 2.491 20 0 BEADMN COc1cc(C)c(CN(C)CCSC)cn1 ZINC001232354432 978033924 /nfs/dbraw/zinc/03/39/24/978033924.db2.gz PFJNSVNWGVJPQT-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN Nc1ccc(CN2CCC[C@H](C(F)F)C2)cn1 ZINC001232368311 978037047 /nfs/dbraw/zinc/03/70/47/978037047.db2.gz BJGRROYZDRBJNF-JTQLQIEISA-N 0 1 241.285 2.141 20 0 BEADMN Cc1ccc(OC(C)C)c(CN2CC(CO)C2)c1 ZINC001232397045 978050021 /nfs/dbraw/zinc/05/00/21/978050021.db2.gz IFHMEXFXNJMSHB-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN Fc1ccc2nc(CN3CCC[C@H]4C[C@H]43)cn2c1 ZINC001232414713 978050645 /nfs/dbraw/zinc/05/06/45/978050645.db2.gz OZJXLJPTGLXORK-GXFFZTMASA-N 0 1 245.301 2.458 20 0 BEADMN Cc1c(F)cc(CN(C)[C@@H]2CCOC2)cc1F ZINC001232423599 978054810 /nfs/dbraw/zinc/05/48/10/978054810.db2.gz TVMQVQOBVCYZGI-LLVKDONJSA-N 0 1 241.281 2.494 20 0 BEADMN CC1(NCc2nc3ccccc3o2)CC1 ZINC001336919057 978056564 /nfs/dbraw/zinc/05/65/64/978056564.db2.gz WDHUGXQYGDRGOL-UHFFFAOYSA-N 0 1 202.257 2.470 20 0 BEADMN Cc1ncc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001232458661 978089917 /nfs/dbraw/zinc/08/99/17/978089917.db2.gz PTQDAMWKUVHQHN-OLZOCXBDSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1ncc(CN2CCC[C@@](C)(F)C2)[nH]1 ZINC001232460430 978100725 /nfs/dbraw/zinc/10/07/25/978100725.db2.gz QHYSOGLXACAHCV-LLVKDONJSA-N 0 1 211.284 2.042 20 0 BEADMN Cc1ncc(CN2CCc3ccsc3C2)[nH]1 ZINC001232462103 978102944 /nfs/dbraw/zinc/10/29/44/978102944.db2.gz JNNGTTOEAJEZTO-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1ncc(CN2CCn3cccc3[C@@H]2C)[nH]1 ZINC001232465205 978106263 /nfs/dbraw/zinc/10/62/63/978106263.db2.gz YHZWRLQBPUNFNM-JTQLQIEISA-N 0 1 230.315 2.096 20 0 BEADMN C[C@H]1CCC[C@@H](CNc2nccnc2CN)C1 ZINC001336998507 978117719 /nfs/dbraw/zinc/11/77/19/978117719.db2.gz MADZBXQUGMZZAX-WDEREUQCSA-N 0 1 234.347 2.174 20 0 BEADMN CCc1csc(CN(CCCO)C(C)C)n1 ZINC001232473567 978122342 /nfs/dbraw/zinc/12/23/42/978122342.db2.gz WYDHBLVPFGWLBG-UHFFFAOYSA-N 0 1 242.388 2.298 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1coc(CN)c1 ZINC001337007458 978122272 /nfs/dbraw/zinc/12/22/72/978122272.db2.gz NDMXPAOZBJSIKT-SNVBAGLBSA-N 0 1 238.331 2.294 20 0 BEADMN COCC1CCN(Cc2cc(F)ccn2)CC1 ZINC001232489830 978139560 /nfs/dbraw/zinc/13/95/60/978139560.db2.gz CLAHKHOIHVMHQK-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN Fc1ccnc(CN2CCCC23CC3)c1 ZINC001232489905 978139679 /nfs/dbraw/zinc/13/96/79/978139679.db2.gz DFSUGFUZCIBNMQ-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN COC[C@@H]1CCN1Cc1c(C)cccc1F ZINC001232486179 978141203 /nfs/dbraw/zinc/14/12/03/978141203.db2.gz JOHFCQWWCZLDLR-NSHDSACASA-N 0 1 223.291 2.355 20 0 BEADMN COC[C@H]1CCCCN1Cc1cc(F)ccn1 ZINC001232491344 978142376 /nfs/dbraw/zinc/14/23/76/978142376.db2.gz XPCDFBVHWOXRBY-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H]1CCCN(Cc2cc(F)ccn2)C1 ZINC001232491663 978143448 /nfs/dbraw/zinc/14/34/48/978143448.db2.gz VHTVIYOUFOINHG-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cc(F)ccn1 ZINC001232491345 978143765 /nfs/dbraw/zinc/14/37/65/978143765.db2.gz XPCDFBVHWOXRBY-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN COc1cncc(OC)c1CN1CCCC12CC2 ZINC001232501060 978152211 /nfs/dbraw/zinc/15/22/11/978152211.db2.gz XOEYSEWLJCBDFS-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN CO[C@H]1CCN(Cc2cc(F)ccn2)[C@H](C)C1 ZINC001232498156 978153200 /nfs/dbraw/zinc/15/32/00/978153200.db2.gz RPLZAZZDFOMACE-MFKMUULPSA-N 0 1 238.306 2.220 20 0 BEADMN F[C@@H]1CCCCN(Cc2c[nH]c3nccnc23)C1 ZINC001232546589 978170472 /nfs/dbraw/zinc/17/04/72/978170472.db2.gz DCNOUZBPFQDILT-LLVKDONJSA-N 0 1 248.305 2.234 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000723125121 978172137 /nfs/dbraw/zinc/17/21/37/978172137.db2.gz FTJZJEOPMCUPNV-USZNOCQGSA-N 0 1 225.332 2.218 20 0 BEADMN OC[C@@H]1CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232552077 978174914 /nfs/dbraw/zinc/17/49/14/978174914.db2.gz UAQWSGVJXCBCJN-LLVKDONJSA-N 0 1 246.310 2.032 20 0 BEADMN CN(Cc1cc2ccoc2cn1)[C@H]1CCOC1 ZINC001232553280 978176171 /nfs/dbraw/zinc/17/61/71/978176171.db2.gz NCXIUWPEXRVJKL-LBPRGKRZSA-N 0 1 232.283 2.049 20 0 BEADMN CC[N@@H+](CCOC)Cc1cc2ccoc2cn1 ZINC001232549658 978176274 /nfs/dbraw/zinc/17/62/74/978176274.db2.gz JXXGADUSVNPDQY-UHFFFAOYSA-N 0 1 234.299 2.296 20 0 BEADMN CCN(CCOC)Cc1cc2ccoc2cn1 ZINC001232549658 978176278 /nfs/dbraw/zinc/17/62/78/978176278.db2.gz JXXGADUSVNPDQY-UHFFFAOYSA-N 0 1 234.299 2.296 20 0 BEADMN C[C@H]1C[C@@H](O)CCN1Cc1cc2ccoc2cn1 ZINC001232553703 978178911 /nfs/dbraw/zinc/17/89/11/978178911.db2.gz CJTJDCWFBLOLDQ-GWCFXTLKSA-N 0 1 246.310 2.173 20 0 BEADMN COc1cccc(C)c1CN1CC[C@@]12CCOC2 ZINC001232624122 978201807 /nfs/dbraw/zinc/20/18/07/978201807.db2.gz ZAPQVMDGAFVQEW-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN c1cc2c(cn1)cncc2CN1CCSCC1 ZINC001232647355 978211500 /nfs/dbraw/zinc/21/15/00/978211500.db2.gz FUHOUBSBVLSDMN-UHFFFAOYSA-N 0 1 245.351 2.179 20 0 BEADMN Cc1cnc(NC(=O)c2cccc3nc[nH]c32)o1 ZINC001176863550 978220231 /nfs/dbraw/zinc/22/02/31/978220231.db2.gz FAFPTCLSLJOOJO-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)n2)[C@H](C)CCO1 ZINC001176971635 978265127 /nfs/dbraw/zinc/26/51/27/978265127.db2.gz SAIOZFFRKIKQAG-GHMZBOCLSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1cc(CN2C[C@H](O)[C@@H](C)C2)c(F)cc1F ZINC001232784452 978278324 /nfs/dbraw/zinc/27/83/24/978278324.db2.gz LHWFQTHNKMZEJJ-ZANVPECISA-N 0 1 241.281 2.086 20 0 BEADMN CCCN(C)CC(=O)Nc1cnoc1C(C)C ZINC001337354877 978302397 /nfs/dbraw/zinc/30/23/97/978302397.db2.gz DAGSGTXKSQFRSZ-UHFFFAOYSA-N 0 1 239.319 2.078 20 0 BEADMN CCc1ncc(CNC(=O)C2=CC[C@H](C)CC2)[nH]1 ZINC001597258098 978307083 /nfs/dbraw/zinc/30/70/83/978307083.db2.gz UZCQKCBSSQJMFQ-JTQLQIEISA-N 0 1 247.342 2.335 20 0 BEADMN CC(C)c1oncc1NC(=O)c1ncccc1O ZINC001337357616 978307671 /nfs/dbraw/zinc/30/76/71/978307671.db2.gz QDXPCGDGLYGKRY-UHFFFAOYSA-N 0 1 247.254 2.151 20 0 BEADMN C[C@H]1CCN1Cc1ccc(OC(F)F)nc1 ZINC001232954544 978359712 /nfs/dbraw/zinc/35/97/12/978359712.db2.gz YUQBUNMZTMTFLA-QMMMGPOBSA-N 0 1 228.242 2.277 20 0 BEADMN CSCC[N@@H+](C)Cc1cc([O-])c(F)c(F)c1 ZINC001232973620 978378395 /nfs/dbraw/zinc/37/83/95/978378395.db2.gz GWJBJVMKJKFOBE-UHFFFAOYSA-N 0 1 247.310 2.465 20 0 BEADMN CSCCN(C)Cc1cc(F)cnc1C ZINC001232991113 978395799 /nfs/dbraw/zinc/39/57/99/978395799.db2.gz AKGJPAZRVWSOTG-UHFFFAOYSA-N 0 1 228.336 2.324 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(F)cnc2C)C1 ZINC001232994800 978397027 /nfs/dbraw/zinc/39/70/27/978397027.db2.gz ZNGLKROQYYUKGV-CYBMUJFWSA-N 0 1 238.306 2.140 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2cnc(C)cc2C)C1 ZINC001233009618 978409296 /nfs/dbraw/zinc/40/92/96/978409296.db2.gz GUVWQRJFFYRAIC-CQSZACIVSA-N 0 1 246.354 2.499 20 0 BEADMN Oc1cccc(CN2CC3CC(C3)C2)c1F ZINC001233054246 978449789 /nfs/dbraw/zinc/44/97/89/978449789.db2.gz HIBJYGPSBBXFCY-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN Fc1ccc2c(c1)[nH]nc2CN1CC[C@@H](F)C1 ZINC001233120060 978469792 /nfs/dbraw/zinc/46/97/92/978469792.db2.gz UJMXMNOIUVRCNW-SECBINFHSA-N 0 1 237.253 2.246 20 0 BEADMN CCN(Cc1ccc(N(C)C)nc1F)C1CC1 ZINC001233114878 978470818 /nfs/dbraw/zinc/47/08/18/978470818.db2.gz QIJYDEJKAKGQMK-UHFFFAOYSA-N 0 1 237.322 2.271 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)cnc1C ZINC001233162264 978480241 /nfs/dbraw/zinc/48/02/41/978480241.db2.gz ZGZSSJQNRLUWJL-OKILXGFUSA-N 0 1 244.338 2.109 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cnc(C)c(C)c2)C1 ZINC001233162968 978481445 /nfs/dbraw/zinc/48/14/45/978481445.db2.gz OSUXVSKJSQZDKE-LBPRGKRZSA-N 0 1 234.343 2.165 20 0 BEADMN Cc1c[nH]c(=O)c(CN2CCc3occc3C2)c1 ZINC001233193712 978495022 /nfs/dbraw/zinc/49/50/22/978495022.db2.gz HJUFBMSERLXJLC-UHFFFAOYSA-N 0 1 244.294 2.247 20 0 BEADMN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1O ZINC001233229326 978498697 /nfs/dbraw/zinc/49/86/97/978498697.db2.gz LSUOFKMDAPZBEJ-BETUJISGSA-N 0 1 245.322 2.397 20 0 BEADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)cnc1F ZINC001337791292 978499381 /nfs/dbraw/zinc/49/93/81/978499381.db2.gz KMQHULKTPWRCNO-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN F[C@@H]1CN(Cc2cnn3ccccc23)C[C@@H]2C[C@@H]21 ZINC001233236518 978511863 /nfs/dbraw/zinc/51/18/63/978511863.db2.gz BXOXQCYRKDGSCK-WCFLWFBJSA-N 0 1 245.301 2.124 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ccc([S-])cc2)CCC1=O ZINC001233258690 978516197 /nfs/dbraw/zinc/51/61/97/978516197.db2.gz OWODUHQHHQKDML-SNVBAGLBSA-N 0 1 235.352 2.386 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CCC1=O ZINC001233258690 978516205 /nfs/dbraw/zinc/51/62/05/978516205.db2.gz OWODUHQHHQKDML-SNVBAGLBSA-N 0 1 235.352 2.386 20 0 BEADMN O[C@@H]1CCCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259342 978518721 /nfs/dbraw/zinc/51/87/21/978518721.db2.gz OQZZLWKLSHYBKL-GFCCVEGCSA-N 0 1 237.368 2.322 20 0 BEADMN FC(F)C1CN(Cc2cccc3c2CCO3)C1 ZINC001233278618 978528714 /nfs/dbraw/zinc/52/87/14/978528714.db2.gz YXFMLNLUOZIWAI-UHFFFAOYSA-N 0 1 239.265 2.318 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC001233313087 978540345 /nfs/dbraw/zinc/54/03/45/978540345.db2.gz CLIXDUFGTNFJFC-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1cc(CN2CC3CC(C3)C2)sn1 ZINC001233313112 978541760 /nfs/dbraw/zinc/54/17/60/978541760.db2.gz DIWMJEXNCKXCEW-UHFFFAOYSA-N 0 1 208.330 2.293 20 0 BEADMN Cn1ccc(CNC/C=C\c2cccc(F)c2)n1 ZINC001178393257 978551997 /nfs/dbraw/zinc/55/19/97/978551997.db2.gz KNVNUXGHPJHIQS-HYXAFXHYSA-N 0 1 245.301 2.362 20 0 BEADMN C[C@@H](c1nc([C@@H]2CN3CCC2CC3)no1)C1CC1 ZINC001337928299 978569369 /nfs/dbraw/zinc/56/93/69/978569369.db2.gz HKTDXCCTSZJPID-BXKDBHETSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1ncc(CN2C[C@H]3[C@H](CC3(F)F)C2)o1 ZINC001233365453 978574754 /nfs/dbraw/zinc/57/47/54/978574754.db2.gz PZEBJVJRQGKPMP-SCZZXKLOSA-N 0 1 228.242 2.070 20 0 BEADMN Cc1ncc(CN2C[C@H]3[C@H](CCC3(F)F)C2)o1 ZINC001233365303 978575085 /nfs/dbraw/zinc/57/50/85/978575085.db2.gz KCFXCILPWMJLCY-KOLCDFICSA-N 0 1 242.269 2.460 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N)n2)CCC1(F)F ZINC001233368942 978582809 /nfs/dbraw/zinc/58/28/09/978582809.db2.gz PHSWSLJALWOHGE-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN C[C@]1(F)CCCCN(Cc2cccc(N)n2)C1 ZINC001233368968 978584244 /nfs/dbraw/zinc/58/42/44/978584244.db2.gz QTQYPNPTKUOUQA-ZDUSSCGKSA-N 0 1 237.322 2.378 20 0 BEADMN Nc1cc(F)c(F)cc1CN1CC2CC(C2)C1 ZINC001233382139 978590910 /nfs/dbraw/zinc/59/09/10/978590910.db2.gz IIOSTFIYYRANBW-UHFFFAOYSA-N 0 1 238.281 2.389 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1n[nH]c(N(C)C)n1 ZINC001178677429 978604131 /nfs/dbraw/zinc/60/41/31/978604131.db2.gz HADWHMDGDBUQPN-UWVGGRQHSA-N 0 1 237.351 2.109 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001338328640 978660366 /nfs/dbraw/zinc/66/03/66/978660366.db2.gz RJFQVIWQBVDTBF-DTWKUNHWSA-N 0 1 246.314 2.122 20 0 BEADMN CCC1(C(=O)Nc2cccnc2CN)CCC1 ZINC001179026758 978661247 /nfs/dbraw/zinc/66/12/47/978661247.db2.gz IJJOANQKSPCZPG-UHFFFAOYSA-N 0 1 233.315 2.059 20 0 BEADMN Cc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)[nH]c1C(=O)[O-] ZINC001600195892 978673874 /nfs/dbraw/zinc/67/38/74/978673874.db2.gz FRXZIKNEDUESHI-JQWIXIFHSA-N 0 1 248.326 2.396 20 0 BEADMN Cc1cc(C[N@@H+](C)Cc2ccco2)[nH]c1C(=O)[O-] ZINC001600190984 978675569 /nfs/dbraw/zinc/67/55/69/978675569.db2.gz SHBUJZRHPSGLAQ-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1cc(C[N@H+](C)Cc2ccco2)[nH]c1C(=O)[O-] ZINC001600190984 978675573 /nfs/dbraw/zinc/67/55/73/978675573.db2.gz SHBUJZRHPSGLAQ-UHFFFAOYSA-N 0 1 248.282 2.246 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)o1 ZINC001600195893 978675648 /nfs/dbraw/zinc/67/56/48/978675648.db2.gz FWEWCVORNDAYOH-PRHODGIISA-N 0 1 237.299 2.049 20 0 BEADMN O[C@@H](CNCCF)c1ccc(F)cc1Cl ZINC001338450321 978685833 /nfs/dbraw/zinc/68/58/33/978685833.db2.gz VECSOUDMFQIIDZ-JTQLQIEISA-N 0 1 235.661 2.072 20 0 BEADMN Cc1cc(CNCc2ccc[nH]c2=O)cc(C)n1 ZINC001179298755 978687038 /nfs/dbraw/zinc/68/70/38/978687038.db2.gz CNTYBTIOLZGXPH-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN OCc1ccc2c(c1)CCN(Cc1ccoc1)C2 ZINC001204241584 978691949 /nfs/dbraw/zinc/69/19/49/978691949.db2.gz INUMZGPPGKFRRD-UHFFFAOYSA-N 0 1 243.306 2.330 20 0 BEADMN Cc1ccc(NCc2ccc(C(=O)[O-])n2C)[nH+]c1 ZINC001600461025 978694916 /nfs/dbraw/zinc/69/49/16/978694916.db2.gz YYRWAILTJZAUBH-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN Cc1ccc2[nH]c(NCc3cncn3C)nc2c1 ZINC001179438604 978703251 /nfs/dbraw/zinc/70/32/51/978703251.db2.gz YDTQYZMIIXXNSA-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCOCCc1ccc2n[nH]c(C)c2c1 ZINC001249939846 978733435 /nfs/dbraw/zinc/73/34/35/978733435.db2.gz KBSALFLNZARXKD-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC001600827405 978738105 /nfs/dbraw/zinc/73/81/05/978738105.db2.gz AZRZNGYLJHTSHI-LLVKDONJSA-N 0 1 235.283 2.271 20 0 BEADMN COc1ccc(CN2CCC2)c(OC)c1C ZINC001204253230 978742084 /nfs/dbraw/zinc/74/20/84/978742084.db2.gz AQJFRHUMJKPQAO-UHFFFAOYSA-N 0 1 221.300 2.218 20 0 BEADMN Cc1c[nH]c(=O)c(CNCc2cccnc2C)c1 ZINC001179729873 978745442 /nfs/dbraw/zinc/74/54/42/978745442.db2.gz PBDKITMLVBPSIC-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN Cn1cnc(CNC/C=C/c2cccc(F)c2)c1 ZINC001179772144 978747174 /nfs/dbraw/zinc/74/71/74/978747174.db2.gz XACSIPIHAXARJU-HWKANZROSA-N 0 1 245.301 2.362 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1C=CCCC1 ZINC001339088504 978790653 /nfs/dbraw/zinc/79/06/53/978790653.db2.gz WCUFOXFGUVLSNN-RYUDHWBXSA-N 0 1 236.359 2.084 20 0 BEADMN Cc1nnc(NC(=O)C2(C)CCC(C)CC2)[nH]1 ZINC001339148212 978805911 /nfs/dbraw/zinc/80/59/11/978805911.db2.gz PPEISTVHKZFFNE-UHFFFAOYSA-N 0 1 236.319 2.268 20 0 BEADMN O=C([O-])[C@H](c1cccnc1)[N@H+]1CCCC2(CC2)C1 ZINC001601698935 978830939 /nfs/dbraw/zinc/83/09/39/978830939.db2.gz SHNRPTBDNRXXCS-LBPRGKRZSA-N 0 1 246.310 2.083 20 0 BEADMN Cc1nc(C)c(CN(C)CCc2ccccn2)[nH]1 ZINC001234594286 978866582 /nfs/dbraw/zinc/86/65/82/978866582.db2.gz LHXMHUGBNXLMHE-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccn1C1CC1 ZINC001601953873 978872806 /nfs/dbraw/zinc/87/28/06/978872806.db2.gz ONEFYGYKEYZVKZ-LBPRGKRZSA-N 0 1 248.326 2.262 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001601990864 978877359 /nfs/dbraw/zinc/87/73/59/978877359.db2.gz PABJZXPUQHHBSG-GFCCVEGCSA-N 0 1 243.372 2.070 20 0 BEADMN CCC[C@@]1(C)CCCN(c2nccnc2CN)C1 ZINC001339597249 978878823 /nfs/dbraw/zinc/87/88/23/978878823.db2.gz WRWFVQRDDWFMSB-AWEZNQCLSA-N 0 1 248.374 2.342 20 0 BEADMN CC(C)(C)N1CC(Oc2cc3cccnc3[nH]2)C1 ZINC001234629597 978879206 /nfs/dbraw/zinc/87/92/06/978879206.db2.gz LLLAMQUCHNLIDF-UHFFFAOYSA-N 0 1 245.326 2.424 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1nc(F)nc2nc[nH]c21 ZINC001234686169 978897338 /nfs/dbraw/zinc/89/73/38/978897338.db2.gz AZPKSDIEQHWTAY-BQBZGAKWSA-N 0 1 236.250 2.059 20 0 BEADMN NCc1nccnc1NC(C1CCC1)C1CCC1 ZINC001339723923 978900223 /nfs/dbraw/zinc/90/02/23/978900223.db2.gz WTOQMUXLRMMYCN-UHFFFAOYSA-N 0 1 246.358 2.316 20 0 BEADMN COC(=O)c1ccnc(CN2CCC(C)(C)C2)c1 ZINC001235202101 978996526 /nfs/dbraw/zinc/99/65/26/978996526.db2.gz GTWIQMHUPXSOEK-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN O[C@H]1CCCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235233302 979002204 /nfs/dbraw/zinc/00/22/04/979002204.db2.gz CZLKTBZJLMUYKA-LBPRGKRZSA-N 0 1 248.301 2.264 20 0 BEADMN OC[C@@H]1CCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235244341 979005207 /nfs/dbraw/zinc/00/52/07/979005207.db2.gz DEMLICBERDJRAH-SNVBAGLBSA-N 0 1 248.301 2.121 20 0 BEADMN COC[C@H]1CCCN1Cc1cc(C)cnc1F ZINC001235332369 979023803 /nfs/dbraw/zinc/02/38/03/979023803.db2.gz PGSMYPLQKKUZHL-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cnc(F)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001235329682 979025237 /nfs/dbraw/zinc/02/52/37/979025237.db2.gz UJRVTCLDSOJJCI-ZMLRMANQSA-N 0 1 238.281 2.319 20 0 BEADMN Cc1cnc(F)c(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001235345640 979030844 /nfs/dbraw/zinc/03/08/44/979030844.db2.gz LYBHHVPSLLRSDU-CNDDSTCGSA-N 0 1 238.281 2.176 20 0 BEADMN COc1cc(CN(C)C)cc(F)c1F ZINC001235434948 979045656 /nfs/dbraw/zinc/04/56/56/979045656.db2.gz VQSOMJLJVVHCOW-UHFFFAOYSA-N 0 1 201.216 2.035 20 0 BEADMN O[C@@]1(C2CC2)CCN(CC=C(Cl)Cl)C1 ZINC001340866227 979135119 /nfs/dbraw/zinc/13/51/19/979135119.db2.gz ONOSJWKMHBSRHP-JTQLQIEISA-N 0 1 236.142 2.152 20 0 BEADMN Nc1cncc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235999041 979289372 /nfs/dbraw/zinc/28/93/72/979289372.db2.gz VOACZFQPNRJGDQ-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001602958734 979339085 /nfs/dbraw/zinc/33/90/85/979339085.db2.gz XIMKUWOZMXVOPK-YGNAEDSMSA-N 0 1 246.310 2.249 20 0 BEADMN CC(=O)c1ccc2c(c1)CN(CCCCO)CC2 ZINC001236060859 979353384 /nfs/dbraw/zinc/35/33/84/979353384.db2.gz SFAYZRLUIYBITK-UHFFFAOYSA-N 0 1 247.338 2.020 20 0 BEADMN CCC1(CC)C[C@H]1C(=O)Nc1cccnc1CN ZINC001181886450 979354198 /nfs/dbraw/zinc/35/41/98/979354198.db2.gz BKQBLJKFQJKHGT-JTQLQIEISA-N 0 1 247.342 2.305 20 0 BEADMN NCc1cc(C(=O)N[C@@H]2CCCC3(CC3)C2)co1 ZINC001341380741 979365084 /nfs/dbraw/zinc/36/50/84/979365084.db2.gz PBXXKRSOVIAFML-LLVKDONJSA-N 0 1 248.326 2.191 20 0 BEADMN [S-]c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001236093057 979384624 /nfs/dbraw/zinc/38/46/24/979384624.db2.gz MKHWQPZPCGNJGN-BETUJISGSA-N 0 1 248.395 2.302 20 0 BEADMN CN[C@H]1CCN1Cc1cc(C)c(C)cc1C ZINC001236166004 979420288 /nfs/dbraw/zinc/42/02/88/979420288.db2.gz CLHFLURJYSEUTO-CQSZACIVSA-N 0 1 218.344 2.363 20 0 BEADMN CN1CCN(c2cccc(CC3CC3)c2)CC1 ZINC001250037263 979461948 /nfs/dbraw/zinc/46/19/48/979461948.db2.gz AYSKXIYEMLCBTH-UHFFFAOYSA-N 0 1 230.355 2.391 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCCC12CCC2 ZINC001341752143 979545772 /nfs/dbraw/zinc/54/57/72/979545772.db2.gz YAAWQWMQJWQXQR-UHFFFAOYSA-N 0 1 248.326 2.205 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)o1 ZINC001604007201 979553853 /nfs/dbraw/zinc/55/38/53/979553853.db2.gz NOSAOVZVICMITG-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN CC[C@@H](C)[N@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001604007201 979553879 /nfs/dbraw/zinc/55/38/79/979553879.db2.gz NOSAOVZVICMITG-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001604007201 979553890 /nfs/dbraw/zinc/55/38/90/979553890.db2.gz NOSAOVZVICMITG-SECBINFHSA-N 0 1 249.318 2.080 20 0 BEADMN c1cc(C2=CCSCC2)cc2nn[nH]c12 ZINC001236367075 979563664 /nfs/dbraw/zinc/56/36/64/979563664.db2.gz NRJVUTDSBRJIJF-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN c1cc(C2=CCSCC2)cc2[nH]nnc12 ZINC001236367075 979563671 /nfs/dbraw/zinc/56/36/71/979563671.db2.gz NRJVUTDSBRJIJF-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN C/C=C(\CC)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341916702 979593360 /nfs/dbraw/zinc/59/33/60/979593360.db2.gz WBQWTKMZENNBEA-XCVCLJGOSA-N 0 1 245.282 2.357 20 0 BEADMN C/C=C(\CC)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341916702 979593365 /nfs/dbraw/zinc/59/33/65/979593365.db2.gz WBQWTKMZENNBEA-XCVCLJGOSA-N 0 1 245.282 2.357 20 0 BEADMN NCc1ccc(C(=O)NCC2CCC=CCC2)o1 ZINC001341971441 979607909 /nfs/dbraw/zinc/60/79/09/979607909.db2.gz YVEJNYDHOGWDCQ-UHFFFAOYSA-N 0 1 248.326 2.215 20 0 BEADMN CO[C@@H]1CCCN(Cc2ncccc2F)CC1 ZINC001182843220 979642196 /nfs/dbraw/zinc/64/21/96/979642196.db2.gz AMXOYRVRBOKBFX-LLVKDONJSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@H]1CCCN(Cc2ncccc2F)CC1 ZINC001182843221 979644433 /nfs/dbraw/zinc/64/44/33/979644433.db2.gz AMXOYRVRBOKBFX-NSHDSACASA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1[C@H](C)CCC[C@H]1C ZINC001182829582 979653166 /nfs/dbraw/zinc/65/31/66/979653166.db2.gz CQWRFIBKSDLJRU-UPJWGTAASA-N 0 1 238.375 2.259 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)CCCF ZINC001604479598 979661886 /nfs/dbraw/zinc/66/18/86/979661886.db2.gz WDKYIJFPMWLMOX-SSDOTTSWSA-N 0 1 246.307 2.194 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CCCF ZINC001604479598 979661890 /nfs/dbraw/zinc/66/18/90/979661890.db2.gz WDKYIJFPMWLMOX-SSDOTTSWSA-N 0 1 246.307 2.194 20 0 BEADMN CCOc1ncc(CN(C)CC)cc1F ZINC001236688937 979693339 /nfs/dbraw/zinc/69/33/39/979693339.db2.gz BYJCNMFIEJJDRU-UHFFFAOYSA-N 0 1 212.268 2.071 20 0 BEADMN [O-]c1cc(C[NH+]2CC3CC(C3)C2)ccc1F ZINC001236707545 979707217 /nfs/dbraw/zinc/70/72/17/979707217.db2.gz HUCUNWUSYIUNLK-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN Oc1cc(CN2CC3CC(C3)C2)ccc1F ZINC001236707545 979707225 /nfs/dbraw/zinc/70/72/25/979707225.db2.gz HUCUNWUSYIUNLK-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN Oc1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)ccc1F ZINC001236705758 979708008 /nfs/dbraw/zinc/70/80/08/979708008.db2.gz NUESDACLDIKZAF-JBLDHEPKSA-N 0 1 239.265 2.464 20 0 BEADMN [O-]c1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc1F ZINC001236705758 979708013 /nfs/dbraw/zinc/70/80/13/979708013.db2.gz NUESDACLDIKZAF-JBLDHEPKSA-N 0 1 239.265 2.464 20 0 BEADMN [O-]c1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc1F ZINC001236705758 979708020 /nfs/dbraw/zinc/70/80/20/979708020.db2.gz NUESDACLDIKZAF-JBLDHEPKSA-N 0 1 239.265 2.464 20 0 BEADMN OC1CC2(C1)CN(Cc1cccc3occc31)C2 ZINC001236735577 979716025 /nfs/dbraw/zinc/71/60/25/979716025.db2.gz RUEFLCIAQZGAPY-UHFFFAOYSA-N 0 1 243.306 2.390 20 0 BEADMN c1cc2cccc(CN3C[C@@H]4C[C@H]3CO4)c2o1 ZINC001236737263 979718131 /nfs/dbraw/zinc/71/81/31/979718131.db2.gz IBSMAXAZQDCNTC-STQMWFEESA-N 0 1 229.279 2.406 20 0 BEADMN c1nc2ccc(C[C@H]3CCCO3)cc2[nH]1 ZINC001250105129 979783288 /nfs/dbraw/zinc/78/32/88/979783288.db2.gz XPXHUGXIEYIGLA-SNVBAGLBSA-N 0 1 202.257 2.284 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)c1coc(CN)c1 ZINC001342378596 979787792 /nfs/dbraw/zinc/78/77/92/979787792.db2.gz GSJFLESVDDRJNZ-LLVKDONJSA-N 0 1 236.315 2.143 20 0 BEADMN Cc1c(CN2CC[C@@H](CO)C2)ccc(F)c1F ZINC001237162230 979824855 /nfs/dbraw/zinc/82/48/55/979824855.db2.gz SAUVGRYFGBLPTQ-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN CCC1C[NH+]([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001605172595 979829338 /nfs/dbraw/zinc/82/93/38/979829338.db2.gz FWKWBSOTIYNXRQ-ZETCQYMHSA-N 0 1 240.328 2.244 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC001605171307 979829446 /nfs/dbraw/zinc/82/94/46/979829446.db2.gz JRAABCOUUMZXSW-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1occc1[S-] ZINC001237183938 979837297 /nfs/dbraw/zinc/83/72/97/979837297.db2.gz NKRQMSJQPTWATD-NSHDSACASA-N 0 1 241.356 2.304 20 0 BEADMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1occc1[S-] ZINC001237183938 979837300 /nfs/dbraw/zinc/83/73/00/979837300.db2.gz NKRQMSJQPTWATD-NSHDSACASA-N 0 1 241.356 2.304 20 0 BEADMN CCCC[N@@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605276706 979847211 /nfs/dbraw/zinc/84/72/11/979847211.db2.gz NJURJJCMVUERFK-NSHDSACASA-N 0 1 241.331 2.256 20 0 BEADMN C[C@@H]1CN(Cc2cccc(N)c2)CCCC1=O ZINC001237217451 979848190 /nfs/dbraw/zinc/84/81/90/979848190.db2.gz VPINMAORXNWAIO-LLVKDONJSA-N 0 1 232.327 2.070 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001605313812 979854962 /nfs/dbraw/zinc/85/49/62/979854962.db2.gz MTWQIXHIBKEICN-UWVGGRQHSA-N 0 1 247.285 2.074 20 0 BEADMN CC[N@@H+](Cc1ncc(C(=O)[O-])s1)C1CCC1 ZINC001605463215 979879330 /nfs/dbraw/zinc/87/93/30/979879330.db2.gz MTGBZDHCVQGJKO-UHFFFAOYSA-N 0 1 240.328 2.216 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C2CC2)C[C@H]1C ZINC001183745036 979881079 /nfs/dbraw/zinc/88/10/79/979881079.db2.gz IUQVSMAGLFGEQL-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN c1c2ccccn2nc1CN1CCCC12CC2 ZINC001237440571 979893316 /nfs/dbraw/zinc/89/33/16/979893316.db2.gz GLYQXOJSDDDHIB-UHFFFAOYSA-N 0 1 227.311 2.463 20 0 BEADMN C[C@@H]1CCCN1Cc1cc2ccccn2n1 ZINC001237443915 979894971 /nfs/dbraw/zinc/89/49/71/979894971.db2.gz XDYNGPIRTYSYIU-LLVKDONJSA-N 0 1 215.300 2.319 20 0 BEADMN COc1c(C)cccc1CN1CC=CC1 ZINC001237499318 979920929 /nfs/dbraw/zinc/92/09/29/979920929.db2.gz DGUHIECUJSBZGM-UHFFFAOYSA-N 0 1 203.285 2.375 20 0 BEADMN COc1cc(CN2CCC[C@@H]2C)cc(OC)n1 ZINC001237553553 979939723 /nfs/dbraw/zinc/93/97/23/979939723.db2.gz ROVIYEQZSNEZAI-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN Nc1[nH]c2cc(-c3ccc(N)cc3)ccc2[nH+]1 ZINC000005117232 979941841 /nfs/dbraw/zinc/94/18/41/979941841.db2.gz VTIAAWFNZXZEGH-UHFFFAOYSA-N 0 1 224.267 2.394 20 0 BEADMN Cc1ccccc1[C@H]1CCCN1Cc1nnc[nH]1 ZINC001237600803 979955002 /nfs/dbraw/zinc/95/50/02/979955002.db2.gz TWJBLIKJYJSLPX-CYBMUJFWSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCC(F)(F)F ZINC001342967697 979958230 /nfs/dbraw/zinc/95/82/30/979958230.db2.gz QYBIZRDCCVBUSD-UHFFFAOYSA-N 0 1 236.193 2.217 20 0 BEADMN Cn1cc(C[N@@H+](C)C2CCCC2)cc1C(=O)[O-] ZINC001606147840 979963769 /nfs/dbraw/zinc/96/37/69/979963769.db2.gz UNFVXDOYSGZYQE-UHFFFAOYSA-N 0 1 236.315 2.098 20 0 BEADMN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C[C@H]1CC1(C)C ZINC001606145522 979963944 /nfs/dbraw/zinc/96/39/44/979963944.db2.gz CVIGBOBTGZCAIR-SNVBAGLBSA-N 0 1 236.315 2.191 20 0 BEADMN Fc1ccccc1[C@H]1CCCN1Cc1nnc[nH]1 ZINC001237608790 979972044 /nfs/dbraw/zinc/97/20/44/979972044.db2.gz PAEUYOIABOJMFT-GFCCVEGCSA-N 0 1 246.289 2.281 20 0 BEADMN CCc1[nH]ncc1CN1CCC[C@H]1C(F)(F)F ZINC001237649136 980002873 /nfs/dbraw/zinc/00/28/73/980002873.db2.gz IJJADFMWUAPGLH-JTQLQIEISA-N 0 1 247.264 2.499 20 0 BEADMN Cc1coc(CN2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001237651049 980005171 /nfs/dbraw/zinc/00/51/71/980005171.db2.gz ZUYRHRYKJRLYAR-AOOOYVTPSA-N 0 1 206.289 2.071 20 0 BEADMN CCc1[nH]ncc1C[N@@H+](C)CCc1ccncc1 ZINC001237649888 980007835 /nfs/dbraw/zinc/00/78/35/980007835.db2.gz BLNTUVCZCXLPTH-UHFFFAOYSA-N 0 1 244.342 2.042 20 0 BEADMN Cc1cc(CN2CC(CO)C2)ccc1OC(C)C ZINC001237713875 980032931 /nfs/dbraw/zinc/03/29/31/980032931.db2.gz XXHFMUDWXLBUOD-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN COC[C@H]1CCCN1Cc1ccc(F)c(C)n1 ZINC001237813734 980059468 /nfs/dbraw/zinc/05/94/68/980059468.db2.gz MUCURCQOQVEGNB-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1C[C@@H]1C(C)C ZINC001343307757 980064519 /nfs/dbraw/zinc/06/45/19/980064519.db2.gz HNSFXKWVPWYDCR-VHSXEESVSA-N 0 1 222.288 2.167 20 0 BEADMN Cc1cccc(F)c1C(=O)N(C)Cc1cnc[nH]1 ZINC001331431428 980069522 /nfs/dbraw/zinc/06/95/22/980069522.db2.gz ZWWFSCWCGDTWMN-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CN(Cc1cccc(F)c1)Cc1c[nH]ccc1=O ZINC001237833589 980079138 /nfs/dbraw/zinc/07/91/38/980079138.db2.gz DGZOUPHBHHWGEO-UHFFFAOYSA-N 0 1 246.285 2.146 20 0 BEADMN Cc1cc(CN2CCCc3occc3C2)n[nH]1 ZINC001343364090 980082290 /nfs/dbraw/zinc/08/22/90/980082290.db2.gz BNQLURAPQYMGIR-UHFFFAOYSA-N 0 1 231.299 2.260 20 0 BEADMN C[C@@H]1C[C@H]1CN1CC(Oc2ccccc2)C1 ZINC001184428418 980082312 /nfs/dbraw/zinc/08/23/12/980082312.db2.gz LNAPKBKMPZPSAS-NEPJUHHUSA-N 0 1 217.312 2.406 20 0 BEADMN Cc1ccccc1C[N@@H+](C)Cc1c[nH]ccc1=O ZINC001237840736 980087095 /nfs/dbraw/zinc/08/70/95/980087095.db2.gz PKWSZAGQRRZDMX-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN Cc1ccccc1CN(C)Cc1c[nH]ccc1=O ZINC001237840736 980087105 /nfs/dbraw/zinc/08/71/05/980087105.db2.gz PKWSZAGQRRZDMX-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN CN(Cc1ccc(F)cc1)Cc1c[nH]ccc1=O ZINC001237843397 980091865 /nfs/dbraw/zinc/09/18/65/980091865.db2.gz UZBMPYOTYZMHPI-UHFFFAOYSA-N 0 1 246.285 2.146 20 0 BEADMN C[N@@H+](Cc1ccccc1)Cc1c[nH]ccc1=O ZINC001237840765 980091983 /nfs/dbraw/zinc/09/19/83/980091983.db2.gz HZZLOIPOLBBSSS-UHFFFAOYSA-N 0 1 228.295 2.007 20 0 BEADMN CN(Cc1ccccc1)Cc1c[nH]ccc1=O ZINC001237840765 980091997 /nfs/dbraw/zinc/09/19/97/980091997.db2.gz HZZLOIPOLBBSSS-UHFFFAOYSA-N 0 1 228.295 2.007 20 0 BEADMN O=c1cc[nH]cc1CN1CC[C@@H]1c1ccccc1 ZINC001237850002 980097585 /nfs/dbraw/zinc/09/75/85/980097585.db2.gz WTVUXWVAQPOUNX-CQSZACIVSA-N 0 1 240.306 2.322 20 0 BEADMN Cc1cc(C)cc(Nc2nccnc2CN)c1 ZINC001184590549 980107860 /nfs/dbraw/zinc/10/78/60/980107860.db2.gz VVJOMVAMYJHSTP-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN COc1ccoc1CN1CCC(CF)CC1 ZINC001237872646 980108100 /nfs/dbraw/zinc/10/81/00/980108100.db2.gz XVZCNYAKYPYVFP-UHFFFAOYSA-N 0 1 227.279 2.470 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC001607451474 980108141 /nfs/dbraw/zinc/10/81/41/980108141.db2.gz JOTATJQDNXPWKL-AYYIZTPMSA-N 0 1 237.274 2.244 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CCCC1(C)C ZINC001343473987 980119219 /nfs/dbraw/zinc/11/92/19/980119219.db2.gz ROLGQVGWJJJLER-VIFPVBQESA-N 0 1 222.288 2.454 20 0 BEADMN Cc1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)[nH]c1C(=O)[O-] ZINC001607641332 980119532 /nfs/dbraw/zinc/11/95/32/980119532.db2.gz FRXZIKNEDUESHI-ZYHUDNBSSA-N 0 1 248.326 2.396 20 0 BEADMN Cc1cc(C[NH2+]C(C)(C)CF)oc1C(=O)[O-] ZINC001607645996 980120796 /nfs/dbraw/zinc/12/07/96/980120796.db2.gz FJXVSJXQVBOFDT-UHFFFAOYSA-N 0 1 229.251 2.124 20 0 BEADMN Cc1cc(CN2CCC[C@@](C)(CO)C2)sn1 ZINC001343480687 980123689 /nfs/dbraw/zinc/12/36/89/980123689.db2.gz IMSLOQUCLVNYOB-GFCCVEGCSA-N 0 1 240.372 2.046 20 0 BEADMN COc1ncc(C2CC2)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001238023473 980128102 /nfs/dbraw/zinc/12/81/02/980128102.db2.gz GXDQCZSFCOWJAR-BETUJISGSA-N 0 1 244.338 2.419 20 0 BEADMN Cc1cn(C[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C)[nH+]1 ZINC001607900787 980137578 /nfs/dbraw/zinc/13/75/78/980137578.db2.gz VNOABXZHJBAKKA-RYUDHWBXSA-N 0 1 236.315 2.391 20 0 BEADMN Cc1ccc(O)cc1CN1CC2(C1)CCCOC2 ZINC001238096715 980145894 /nfs/dbraw/zinc/14/58/94/980145894.db2.gz VILYXRUPRYRRSM-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN Cc1ccc(O)cc1CN1CC2(CSC2)C1 ZINC001238111711 980163568 /nfs/dbraw/zinc/16/35/68/980163568.db2.gz WFVTYMHSHNKNIS-UHFFFAOYSA-N 0 1 235.352 2.249 20 0 BEADMN C[C@@H]1CCCCN1Cc1c(N)ccnc1F ZINC001238151849 980175750 /nfs/dbraw/zinc/17/57/50/980175750.db2.gz GTYLBOKBZHAYJL-SECBINFHSA-N 0 1 223.295 2.177 20 0 BEADMN Nc1ccnc(F)c1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001238150623 980177790 /nfs/dbraw/zinc/17/77/90/980177790.db2.gz UFZMXPXTNAHVMI-WDEREUQCSA-N 0 1 249.333 2.425 20 0 BEADMN CCN(Cc1c(N)ccnc1F)C(C)C ZINC001238151283 980178398 /nfs/dbraw/zinc/17/83/98/980178398.db2.gz ATUPJOMAGCQPJH-UHFFFAOYSA-N 0 1 211.284 2.033 20 0 BEADMN C[C@@H]1CCCN(Cc2c(N)ccnc2F)[C@H]1C ZINC001238157735 980180125 /nfs/dbraw/zinc/18/01/25/980180125.db2.gz YNENFSCBRQNREE-ZJUUUORDSA-N 0 1 237.322 2.423 20 0 BEADMN C[C@@H]1CCCN(Cc2c(N)ccnc2F)C1 ZINC001238154924 980180381 /nfs/dbraw/zinc/18/03/81/980180381.db2.gz ZBFLBWRFXIKTOP-SECBINFHSA-N 0 1 223.295 2.035 20 0 BEADMN CN(Cc1c(N)ccnc1F)C(C)(C)C ZINC001238157639 980182362 /nfs/dbraw/zinc/18/23/62/980182362.db2.gz VWYXAWDAYOTKBJ-UHFFFAOYSA-N 0 1 211.284 2.033 20 0 BEADMN c1ncc(C2CC2)cc1CN1CCCOCC1 ZINC001238185281 980211416 /nfs/dbraw/zinc/21/14/16/980211416.db2.gz CTLOTWSKVFJHMQ-UHFFFAOYSA-N 0 1 232.327 2.181 20 0 BEADMN C[C@H]1CN(Cc2cncc(C3CC3)c2)CC[C@H]1O ZINC001238182208 980211510 /nfs/dbraw/zinc/21/15/10/980211510.db2.gz PRQJNOKRKGXOGL-XHDPSFHLSA-N 0 1 246.354 2.162 20 0 BEADMN C[C@@H](Nc1nccnc1CN)c1ccccc1 ZINC001185300593 980213369 /nfs/dbraw/zinc/21/33/69/980213369.db2.gz ZGOYDKGHAVURBO-SNVBAGLBSA-N 0 1 228.299 2.108 20 0 BEADMN CO[C@@H]1CCN(Cc2cncc(C3CC3)c2)C1 ZINC001238182692 980214379 /nfs/dbraw/zinc/21/43/79/980214379.db2.gz VKZQAGOUOUSGHV-CQSZACIVSA-N 0 1 232.327 2.180 20 0 BEADMN C[C@@H]1CCN(Cc2cncc(C3CC3)c2)C[C@@H]1O ZINC001238182520 980215954 /nfs/dbraw/zinc/21/59/54/980215954.db2.gz UQRCBPSMBLOPAE-ABAIWWIYSA-N 0 1 246.354 2.162 20 0 BEADMN CN(CCF)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238203695 980221939 /nfs/dbraw/zinc/22/19/39/980221939.db2.gz ZPXILXWBORTDTA-UHFFFAOYSA-N 0 1 233.290 2.478 20 0 BEADMN Cc1cnc(CN2CC3(C2)CCCOC3)c(C)c1 ZINC001238429940 980257124 /nfs/dbraw/zinc/25/71/24/980257124.db2.gz NMRMOSGBUFGSIU-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN Cc1cnc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(C)c1 ZINC001238428376 980259092 /nfs/dbraw/zinc/25/90/92/980259092.db2.gz HNQGYKGVTKYMDP-BETUJISGSA-N 0 1 244.338 2.394 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC001608678520 980262543 /nfs/dbraw/zinc/26/25/43/980262543.db2.gz ZYRFHCPXDWLOCJ-LLVKDONJSA-N 0 1 249.310 2.324 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC001608744373 980275095 /nfs/dbraw/zinc/27/50/95/980275095.db2.gz CRJWTRNODCEYFP-LBPRGKRZSA-N 0 1 245.322 2.265 20 0 BEADMN COC[C@H]1CCN1Cc1cnc(C2CC2)c(C)c1 ZINC001238630448 980302773 /nfs/dbraw/zinc/30/27/73/980302773.db2.gz DZKDHUVZUUQWRJ-CQSZACIVSA-N 0 1 246.354 2.488 20 0 BEADMN CCOc1ccc(C)c(CN2CC(C)(CO)C2)c1 ZINC001238704722 980310788 /nfs/dbraw/zinc/31/07/88/980310788.db2.gz LPGPCWYPIKIJEN-UHFFFAOYSA-N 0 1 249.354 2.208 20 0 BEADMN Cc1c(C(=O)N2C[C@@H](C)[C@@H]2C)ccc2cncn21 ZINC001344015833 980314442 /nfs/dbraw/zinc/31/44/42/980314442.db2.gz GHMAHQCNIKEBKZ-ZJUUUORDSA-N 0 1 243.310 2.123 20 0 BEADMN CCN(CC(=O)NC)Cc1cccc2ccoc21 ZINC001344060421 980332463 /nfs/dbraw/zinc/33/24/63/980332463.db2.gz ASWAXSYHGSTEAD-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1cccc(F)n1 ZINC001344263035 980360686 /nfs/dbraw/zinc/36/06/86/980360686.db2.gz TZDQGEOMFMCVDO-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C1CC1)C(F)(F)F ZINC001344407568 980389396 /nfs/dbraw/zinc/38/93/96/980389396.db2.gz CLJNVMMWXDPJHW-QMMMGPOBSA-N 0 1 248.204 2.216 20 0 BEADMN Cc1ccc(COC(=O)c2[nH]cnc2C)s1 ZINC001344409241 980391259 /nfs/dbraw/zinc/39/12/59/980391259.db2.gz QZOKRIZVMZUVER-UHFFFAOYSA-N 0 1 236.296 2.445 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCc1ccsc1 ZINC001344425684 980392941 /nfs/dbraw/zinc/39/29/41/980392941.db2.gz HFLJVXQOCSLNMG-UHFFFAOYSA-N 0 1 236.296 2.179 20 0 BEADMN Cc1nc[nH]c1C(=O)OC(C1CC1)C1CC1 ZINC001344562569 980428745 /nfs/dbraw/zinc/42/87/45/980428745.db2.gz JTOVAZNPWPDQGA-UHFFFAOYSA-N 0 1 220.272 2.064 20 0 BEADMN CC(C)n1ccc(-c2cc3c(nn2)CNC3)c1 ZINC001239066818 980439094 /nfs/dbraw/zinc/43/90/94/980439094.db2.gz XWFHROIXXAPIGB-UHFFFAOYSA-N 0 1 228.299 2.129 20 0 BEADMN CCc1cc(CNCc2cnc(F)c(C)c2)[nH]n1 ZINC001345078986 980542808 /nfs/dbraw/zinc/54/28/08/980542808.db2.gz XXLFKQMAUKYUAL-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN C/C=C(/C)COC(=O)[C@@H]1CCCN1C(C)C ZINC001345195340 980581033 /nfs/dbraw/zinc/58/10/33/980581033.db2.gz ZFUGQHKQPIUJRF-QJGQKNTRSA-N 0 1 225.332 2.369 20 0 BEADMN CC1CC(N(C)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001188388702 980641963 /nfs/dbraw/zinc/64/19/63/980641963.db2.gz GSRDSZGEDBNDPR-UHFFFAOYSA-N 0 1 233.315 2.158 20 0 BEADMN Cc1cc(N(C)C)ncc1Cc1ccncc1 ZINC001250313534 980748313 /nfs/dbraw/zinc/74/83/13/980748313.db2.gz WKILGQNEYRMXLA-UHFFFAOYSA-N 0 1 227.311 2.442 20 0 BEADMN Fc1cc2nn[nH]c2cc1-c1cccnc1 ZINC001239569926 980757964 /nfs/dbraw/zinc/75/79/64/980757964.db2.gz XQRXOLWHNNTJSJ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cccc(F)c1-c1ncnc2c1CNC2 ZINC001239572377 980761840 /nfs/dbraw/zinc/76/18/40/980761840.db2.gz UOJZPUZIAXOXIV-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Cc1cc(N(C)C)ncc1Cc1ccccn1 ZINC001250320402 980763197 /nfs/dbraw/zinc/76/31/97/980763197.db2.gz RGVUIVZWNLDPJL-UHFFFAOYSA-N 0 1 227.311 2.442 20 0 BEADMN c1nocc1Nc1ccc2cncn2c1 ZINC001250324169 980764842 /nfs/dbraw/zinc/76/48/42/980764842.db2.gz PVAJLTHVSGMXMG-UHFFFAOYSA-N 0 1 200.201 2.066 20 0 BEADMN COc1cc(Nc2ccc3cncn3c2)no1 ZINC001250322937 980766834 /nfs/dbraw/zinc/76/68/34/980766834.db2.gz ABOUOUFUQWUOSQ-UHFFFAOYSA-N 0 1 230.227 2.075 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC1CCCC1 ZINC000206902380 980768276 /nfs/dbraw/zinc/76/82/76/980768276.db2.gz NCBXSBGSIDQGPU-LBPRGKRZSA-N 0 1 225.332 2.345 20 0 BEADMN Cc1nnc(Cc2cccc(CN(C)C)c2F)o1 ZINC001250341708 980811866 /nfs/dbraw/zinc/81/18/66/980811866.db2.gz IRKNTBPLUZNFLR-UHFFFAOYSA-N 0 1 249.289 2.170 20 0 BEADMN Cc1ccccc1CN(C)C1(C)COC1 ZINC001203710077 980828456 /nfs/dbraw/zinc/82/84/56/980828456.db2.gz YPAWDMSQKQSBCG-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN CN1CCN(c2cccc(-c3ccoc3)n2)CC1 ZINC001239686272 980842720 /nfs/dbraw/zinc/84/27/20/980842720.db2.gz PKSJXGPIOKTHAS-UHFFFAOYSA-N 0 1 243.310 2.093 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@]12C[C@H]1CCC2)N(C)C ZINC001346465720 980845487 /nfs/dbraw/zinc/84/54/87/980845487.db2.gz VENFQWUYVOIVFH-BZPMIXESSA-N 0 1 239.359 2.306 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001595371299 980849409 /nfs/dbraw/zinc/84/94/09/980849409.db2.gz YQMHPDDIGXPXSW-ZDUSSCGKSA-N 0 1 236.315 2.335 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cnc(F)cc1C ZINC001190131545 980853507 /nfs/dbraw/zinc/85/35/07/980853507.db2.gz FFHGGSKYNMJFRH-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)on1 ZINC001190436492 980873848 /nfs/dbraw/zinc/87/38/48/980873848.db2.gz GSILEMAGRBMIBM-LLVKDONJSA-N 0 1 246.314 2.086 20 0 BEADMN COc1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001239726403 980878515 /nfs/dbraw/zinc/87/85/15/980878515.db2.gz DOZWXEIXUIHLLN-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN O=C(Cc1cc(F)c(O)c(Cl)c1)NC1CC1 ZINC001250381070 980881284 /nfs/dbraw/zinc/88/12/84/980881284.db2.gz BUFNWWAOZGPXTG-UHFFFAOYSA-N 0 1 243.665 2.006 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C[C@H](C)CC)n[nH]1 ZINC001346679975 980883275 /nfs/dbraw/zinc/88/32/75/980883275.db2.gz YPXRFOYVNNAYQH-BDAKNGLRSA-N 0 1 239.319 2.408 20 0 BEADMN c1ccc2ncc(-c3ncnc4c3CNC4)cc2c1 ZINC001239790500 980931449 /nfs/dbraw/zinc/93/14/49/980931449.db2.gz STIDZPSUPOYCOP-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ccc(-c2ncc3c(n2)CNC3)c(C)c1 ZINC001239811661 980954470 /nfs/dbraw/zinc/95/44/70/980954470.db2.gz QUXDUQKPUJEUNN-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN c1ccc2c(c1)nccc2-c1cc2c(nn1)CNC2 ZINC001239850575 980988975 /nfs/dbraw/zinc/98/89/75/980988975.db2.gz RRJYAGMWKSMXQA-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(CC3CC3)CC2)c1C ZINC001191130274 980990885 /nfs/dbraw/zinc/99/08/85/980990885.db2.gz FQDKTCMVIFQCAX-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN NC(=O)c1ccc(-c2ccc3cncn3c2)cc1 ZINC001239870739 981012494 /nfs/dbraw/zinc/01/24/94/981012494.db2.gz WPNIJTOYFFCKQT-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN c1nnc(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1 ZINC001347257641 981022353 /nfs/dbraw/zinc/02/23/53/981022353.db2.gz KDNYQRUZAUDPLI-BBBLOLIVSA-N 0 1 223.345 2.474 20 0 BEADMN Cc1nc2cc(F)c(-n3ccnc3)cc2[nH]1 ZINC001250424572 981031279 /nfs/dbraw/zinc/03/12/79/981031279.db2.gz JEUPUMWURUCKDP-UHFFFAOYSA-N 0 1 216.219 2.196 20 0 BEADMN NCc1ncc(-c2cncc3ccccc32)cn1 ZINC001239947652 981054900 /nfs/dbraw/zinc/05/49/00/981054900.db2.gz VCMUCKKSQUNKJH-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN CCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250427025 981064229 /nfs/dbraw/zinc/06/42/29/981064229.db2.gz LJERACGUSXWEIW-UHFFFAOYSA-N 0 1 245.282 2.236 20 0 BEADMN Cc1ccncc1-c1nccc2[nH]cnc21 ZINC001239971527 981071098 /nfs/dbraw/zinc/07/10/98/981071098.db2.gz ATLPVJPWMPIGRZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccncc1-c1[nH]ccc2ncnc1-2 ZINC001239971527 981071100 /nfs/dbraw/zinc/07/11/00/981071100.db2.gz ATLPVJPWMPIGRZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccncc1-c1ccc2[nH]nnc2c1 ZINC001239974007 981075553 /nfs/dbraw/zinc/07/55/53/981075553.db2.gz MIQNLFUOKARECR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccncc1-c1ccc2nn[nH]c2c1 ZINC001239974007 981075558 /nfs/dbraw/zinc/07/55/58/981075558.db2.gz MIQNLFUOKARECR-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1c2c(cc3[nH]c([C@@H]4CCOC4)nc13)OCC2 ZINC001250432807 981078845 /nfs/dbraw/zinc/07/88/45/981078845.db2.gz AJVFAWGPPDVTGC-SECBINFHSA-N 0 1 230.267 2.002 20 0 BEADMN CC(=O)Nc1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC001250432904 981079662 /nfs/dbraw/zinc/07/96/62/981079662.db2.gz CJQXWVRLNWPLRH-SECBINFHSA-N 0 1 245.282 2.025 20 0 BEADMN Cc1cc(-c2nc3cc4c(cc3[nH]2)OCC4)n[nH]1 ZINC001250439489 981095091 /nfs/dbraw/zinc/09/50/91/981095091.db2.gz SYLNJBRZTVRWLQ-UHFFFAOYSA-N 0 1 240.266 2.196 20 0 BEADMN Cc1[nH]nc2cc(-c3cnccn3)ccc21 ZINC001250441197 981100701 /nfs/dbraw/zinc/10/07/01/981100701.db2.gz XHTQVTRMONBONK-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccnc(-c2c(F)cc(O)cc2F)n1 ZINC001250450149 981128118 /nfs/dbraw/zinc/12/81/18/981128118.db2.gz NLHWLOLBHSVTBB-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595458432 981131335 /nfs/dbraw/zinc/13/13/35/981131335.db2.gz HNCHWUWYCHHMHN-LLVKDONJSA-N 0 1 236.315 2.396 20 0 BEADMN CCCn1cc(-c2nccc(N)c2C)cn1 ZINC001240130166 981131836 /nfs/dbraw/zinc/13/18/36/981131836.db2.gz KZVMLFQWUWJARQ-UHFFFAOYSA-N 0 1 216.288 2.246 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC001595464577 981150866 /nfs/dbraw/zinc/15/08/66/981150866.db2.gz QZNQIINHDIRGJK-CMPLNLGQSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001240220435 981173876 /nfs/dbraw/zinc/17/38/76/981173876.db2.gz GINZLOKJUVBZAU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(-c2[nH]ccc3ncnc2-3)cn1 ZINC001240220435 981173880 /nfs/dbraw/zinc/17/38/80/981173880.db2.gz GINZLOKJUVBZAU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC[C@H](Cc1ccccc1)Nc1ccnc(N)n1 ZINC001347981767 981234491 /nfs/dbraw/zinc/23/44/91/981234491.db2.gz YZCPCADJOYJPPF-GFCCVEGCSA-N 0 1 242.326 2.492 20 0 BEADMN CC1(CNc2nccnc2CN)CCCCC1 ZINC001348031956 981255584 /nfs/dbraw/zinc/25/55/84/981255584.db2.gz WCHPVSCYNGPHFI-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN Cc1[nH]nc(CNC(=O)C2=CC[C@@H](C)CC2)c1C ZINC001348120980 981289223 /nfs/dbraw/zinc/28/92/23/981289223.db2.gz XGQNAWRUBMPNOE-SECBINFHSA-N 0 1 247.342 2.389 20 0 BEADMN CC(C)(C)CNC(=O)CN1CC2CCC1CC2 ZINC001348155588 981299559 /nfs/dbraw/zinc/29/95/59/981299559.db2.gz WVCWMHCAJKLLOT-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc2ccc(-c3ccc(=O)n(C)c3)cc2[nH]1 ZINC001240332519 981303052 /nfs/dbraw/zinc/30/30/52/981303052.db2.gz HHVHCQZNAKKYMB-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN Cn1cc(-c2cc3nc[nH]c3cc2F)ccc1=O ZINC001240335196 981305037 /nfs/dbraw/zinc/30/50/37/981305037.db2.gz YSYREOKRLZISLK-UHFFFAOYSA-N 0 1 243.241 2.068 20 0 BEADMN CCOCC1CCN(Cc2cncc(C)n2)CC1 ZINC001203174032 981319538 /nfs/dbraw/zinc/31/95/38/981319538.db2.gz WWVLXQPLVPKRSF-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN Cc1nc2cc(-c3cncnc3)ccc2[nH]1 ZINC001240374291 981322707 /nfs/dbraw/zinc/32/27/07/981322707.db2.gz PQARNOFQMPONBD-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1c(-c2ccc3[nH]cnc3c2)cnn1C ZINC001240380774 981338670 /nfs/dbraw/zinc/33/86/70/981338670.db2.gz FDDIGMZGPLJEOM-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1ccc(-c2cccc(F)c2O)nn1 ZINC001250519903 981371596 /nfs/dbraw/zinc/37/15/96/981371596.db2.gz LTGTZVOMZWTACF-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN c1cc2ncc(-c3cncc4cc[nH]c43)cn2n1 ZINC001240428164 981378022 /nfs/dbraw/zinc/37/80/22/981378022.db2.gz DLAOELJOVKEHEY-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3ncccn3)nc21 ZINC001250524722 981384731 /nfs/dbraw/zinc/38/47/31/981384731.db2.gz YEGBYOGRWVKUIX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC[C@@H]1CCN(Cc2ncnn2C(C)C)[C@@H]1C ZINC001193608370 981384830 /nfs/dbraw/zinc/38/48/30/981384830.db2.gz XQBWCWAGDJNNOW-VXGBXAGGSA-N 0 1 236.363 2.479 20 0 BEADMN C(=C/C1CC1)\CNCc1cn(C2CC2)cn1 ZINC001348537535 981386250 /nfs/dbraw/zinc/38/62/50/981386250.db2.gz LJARYWHNFQXTIH-OWOJBTEDSA-N 0 1 217.316 2.274 20 0 BEADMN CSCC[C@H](C)OC(=O)c1[nH]cnc1C ZINC001348609459 981406531 /nfs/dbraw/zinc/40/65/31/981406531.db2.gz VJLXWCMTUFHGGK-ZETCQYMHSA-N 0 1 228.317 2.017 20 0 BEADMN Cc1nc[nH]c1C(=O)Oc1cccc2c1CCC2 ZINC001348669083 981416125 /nfs/dbraw/zinc/41/61/25/981416125.db2.gz IMBHBLRPOOUXRD-UHFFFAOYSA-N 0 1 242.278 2.426 20 0 BEADMN O[C@@H](CCSCc1nnc[nH]1)c1ccccc1 ZINC001348808602 981447440 /nfs/dbraw/zinc/44/74/40/981447440.db2.gz ZBLSCSIFULVLQH-NSHDSACASA-N 0 1 249.339 2.162 20 0 BEADMN COC(=O)c1ccccc1-c1cn[nH]c1C ZINC001240519455 981449120 /nfs/dbraw/zinc/44/91/20/981449120.db2.gz RHDNOHLMBDRPCQ-UHFFFAOYSA-N 0 1 216.240 2.172 20 0 BEADMN Nc1ccc(-c2cc3[nH]cnc3cn2)c(F)c1 ZINC001240522927 981455597 /nfs/dbraw/zinc/45/55/97/981455597.db2.gz CKJKBTVPWISRSF-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1nc(-c2ccc(N)cc2F)nc2nc[nH]c21 ZINC001240523778 981460577 /nfs/dbraw/zinc/46/05/77/981460577.db2.gz RLLMUHDXMYNKJZ-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN Nc1ccc(-c2nccc3c2CCN3)c(F)c1 ZINC001240524174 981461112 /nfs/dbraw/zinc/46/11/12/981461112.db2.gz REHDQOBGHBECMG-UHFFFAOYSA-N 0 1 229.258 2.438 20 0 BEADMN CC[C@H](C)N(CCCC1CC1)CC(=O)OC ZINC001193906275 981508073 /nfs/dbraw/zinc/50/80/73/981508073.db2.gz KYWQIPTUYOQTPQ-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1C ZINC001349147216 981511514 /nfs/dbraw/zinc/51/15/14/981511514.db2.gz JBBJNPQRQNYFPC-FZMZJTMJSA-N 0 1 249.358 2.325 20 0 BEADMN CCn1cc(-c2ccc3cncn3c2)cn1 ZINC001240648857 981548392 /nfs/dbraw/zinc/54/83/92/981548392.db2.gz KDWNUGPDMPHMJN-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN c1c2cnccc2oc1CN1CC[C@]12CCOC2 ZINC001349564196 981581635 /nfs/dbraw/zinc/58/16/35/981581635.db2.gz MZFDLXUSVVZLDC-CQSZACIVSA-N 0 1 244.294 2.193 20 0 BEADMN CCc1nnc(NC(=O)C2CCC=CCC2)[nH]1 ZINC001349662389 981623059 /nfs/dbraw/zinc/62/30/59/981623059.db2.gz LLXHOLNZUOOENT-UHFFFAOYSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C2CCC=CCC2)n1 ZINC001349662389 981623068 /nfs/dbraw/zinc/62/30/68/981623068.db2.gz LLXHOLNZUOOENT-UHFFFAOYSA-N 0 1 234.303 2.052 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)cc1C ZINC001240700482 981632014 /nfs/dbraw/zinc/63/20/14/981632014.db2.gz SUQROWWKAMHPEP-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1ccc(-c2cnc(CN)nc2)cc1C ZINC001240701445 981645252 /nfs/dbraw/zinc/64/52/52/981645252.db2.gz XRELRRRAQNYXAA-UHFFFAOYSA-N 0 1 213.284 2.219 20 0 BEADMN c1cc2c(cccc2-c2cc3c(nn2)CNC3)[nH]1 ZINC001240710103 981678060 /nfs/dbraw/zinc/67/80/60/981678060.db2.gz NGSZAUYCPURURO-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CCn1nccc1-c1cccn2cncc12 ZINC001240710950 981684492 /nfs/dbraw/zinc/68/44/92/981684492.db2.gz YRXGQWFZYDBCNN-UHFFFAOYSA-N 0 1 212.256 2.218 20 0 BEADMN C[N@H+]1CCN(C(=O)OCC(C)(C)C)CC1(C)C ZINC001194376735 981752004 /nfs/dbraw/zinc/75/20/04/981752004.db2.gz ACTODGHOFGBUTA-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CN1CCN(C(=O)OCC(C)(C)C)CC1(C)C ZINC001194376735 981752011 /nfs/dbraw/zinc/75/20/11/981752011.db2.gz ACTODGHOFGBUTA-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1Cc2cccnc2C1 ZINC001595630082 981813536 /nfs/dbraw/zinc/81/35/36/981813536.db2.gz VDWGZCBRHKYDLD-GFCCVEGCSA-N 0 1 234.299 2.041 20 0 BEADMN COC(=O)[C@@H](C)c1nc2cc(C)cc(C)c2[nH]1 ZINC001250577733 981827388 /nfs/dbraw/zinc/82/73/88/981827388.db2.gz WPSKLZJBCZBZAX-VIFPVBQESA-N 0 1 232.283 2.456 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001595631555 981840132 /nfs/dbraw/zinc/84/01/32/981840132.db2.gz UQFGGODNXSHRHA-AEJSXWLSSA-N 0 1 249.301 2.463 20 0 BEADMN Cc1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001240803375 981852869 /nfs/dbraw/zinc/85/28/69/981852869.db2.gz PMEFCNDTCIQWLA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001240803375 981852874 /nfs/dbraw/zinc/85/28/74/981852874.db2.gz PMEFCNDTCIQWLA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC[C@H](C)COC(=O)N1CCN(C)C(C)(C)C1 ZINC001194794210 981882793 /nfs/dbraw/zinc/88/27/93/981882793.db2.gz VRYMBFIWGZNMGK-NSHDSACASA-N 0 1 242.363 2.195 20 0 BEADMN Cc1cc(-c2cccc3cncn32)n(C)n1 ZINC001240860472 981902806 /nfs/dbraw/zinc/90/28/06/981902806.db2.gz XIRCVYQLZJXDMT-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN c1cc2[nH]nnc2c(-c2ccc3c(c2)OCO3)c1 ZINC001240899567 981949194 /nfs/dbraw/zinc/94/91/94/981949194.db2.gz AVJUTAXWJUTXDA-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN c1cc(-c2ccc3c(c2)OCO3)cc2nn[nH]c12 ZINC001240900712 981950885 /nfs/dbraw/zinc/95/08/85/981950885.db2.gz LBUXMPHZNYHDDR-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN c1cc(-c2ccc3c(c2)OCO3)cc2[nH]nnc12 ZINC001240900712 981950891 /nfs/dbraw/zinc/95/08/91/981950891.db2.gz LBUXMPHZNYHDDR-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001350406197 981965768 /nfs/dbraw/zinc/96/57/68/981965768.db2.gz WBUJTLSVGOXQKY-YWVKMMECSA-N 0 1 247.342 2.063 20 0 BEADMN CC(C)CCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001586613276 982005148 /nfs/dbraw/zinc/00/51/48/982005148.db2.gz ARCGXBGFWAWGGF-VXGBXAGGSA-N 0 1 249.358 2.456 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cc(C)cc(O)c1 ZINC001586679521 982011633 /nfs/dbraw/zinc/01/16/33/982011633.db2.gz PQZYPTKAGBKPMC-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC001586882318 982032357 /nfs/dbraw/zinc/03/23/57/982032357.db2.gz QJJHCYHDZRGHGR-WEDXCCLWSA-N 0 1 239.294 2.103 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1ccc(CC(=O)[O-])cc1 ZINC001240975581 982052841 /nfs/dbraw/zinc/05/28/41/982052841.db2.gz CZDGKGJCJIUTQV-UHFFFAOYSA-N 0 1 242.278 2.266 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C)ccc1F ZINC001587377025 982071984 /nfs/dbraw/zinc/07/19/84/982071984.db2.gz JVRUMEFHCRRLAT-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCCC2(C)C)n[nH]1 ZINC001587376280 982072370 /nfs/dbraw/zinc/07/23/70/982072370.db2.gz YOKRXASFMJGTBM-GFCCVEGCSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nc(-c2ccccc2O)ncc1F ZINC001241002924 982088568 /nfs/dbraw/zinc/08/85/68/982088568.db2.gz CROFQQXKCZHKFJ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1ccccc1-c1ncc2ncsc2n1 ZINC001241003834 982089182 /nfs/dbraw/zinc/08/91/82/982089182.db2.gz VJMFDYIZPMRGNP-UHFFFAOYSA-N 0 1 229.264 2.459 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCC[C@@H](F)C1 ZINC001350975753 982144504 /nfs/dbraw/zinc/14/45/04/982144504.db2.gz MZVIBKBIBNCSCE-FXBDTBDDSA-N 0 1 227.283 2.309 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCC[C@@H](F)C1 ZINC001350975761 982144558 /nfs/dbraw/zinc/14/45/58/982144558.db2.gz MZVIBKBIBNCSCE-SFGNSQDASA-N 0 1 227.283 2.309 20 0 BEADMN Oc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241062572 982169513 /nfs/dbraw/zinc/16/95/13/982169513.db2.gz MAJZOZKPWKOYFB-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001241062572 982169521 /nfs/dbraw/zinc/16/95/21/982169521.db2.gz MAJZOZKPWKOYFB-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Oc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001241063013 982175707 /nfs/dbraw/zinc/17/57/07/982175707.db2.gz OLGLAJCCHXXDON-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC001594876831 982215686 /nfs/dbraw/zinc/21/56/86/982215686.db2.gz NJYSPFYKKYBWJH-KKJSVHSVSA-N 0 1 227.348 2.462 20 0 BEADMN CN(C)C=Cc1ccncc1-c1ccc[nH]c1=O ZINC001241129934 982264325 /nfs/dbraw/zinc/26/43/25/982264325.db2.gz UPCRHAQHSRRPBH-RMKNXTFCSA-N 0 1 241.294 2.382 20 0 BEADMN CCN(CCC1CC1)Cc1nn(C)cc1C ZINC001351301351 982279414 /nfs/dbraw/zinc/27/94/14/982279414.db2.gz JYTQWASVGGUUHE-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ncccn1 ZINC001351321451 982279477 /nfs/dbraw/zinc/27/94/77/982279477.db2.gz XZOIHLBLAWXOHC-MNOVXSKESA-N 0 1 249.358 2.473 20 0 BEADMN Cn1ccc2c1ccnc2-c1ccnc(N)c1 ZINC001241156133 982294062 /nfs/dbraw/zinc/29/40/62/982294062.db2.gz CTIIGHVTVPCDQY-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN Nc1cc(-c2ccc3nc[nH]c3c2)ccn1 ZINC001241162949 982302342 /nfs/dbraw/zinc/30/23/42/982302342.db2.gz PEIJFKHMRMCWBF-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN C[C@H]1CCN(Cc2ccccc2)CCC1=O ZINC001203302044 982337010 /nfs/dbraw/zinc/33/70/10/982337010.db2.gz DROKDZZKYVFXQQ-LBPRGKRZSA-N 0 1 217.312 2.488 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CCC=CO1 ZINC001588655777 982375485 /nfs/dbraw/zinc/37/54/85/982375485.db2.gz MQSALQCDOZFRPQ-LLVKDONJSA-N 0 1 241.331 2.112 20 0 BEADMN Oc1cc(F)cc(-c2cc3[nH]cnc3cn2)c1 ZINC001241256013 982391284 /nfs/dbraw/zinc/39/12/84/982391284.db2.gz KDHHETNGQGGLRB-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCC[N@@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595740484 982396046 /nfs/dbraw/zinc/39/60/46/982396046.db2.gz MJPPEIISBVBHNL-UHFFFAOYSA-N 0 1 224.304 2.253 20 0 BEADMN CC[C@H]1C[N@@H+](CCc2ccc(F)cc2)CCO1 ZINC001351926587 982410490 /nfs/dbraw/zinc/41/04/90/982410490.db2.gz HBFZNJOWPUQHSF-AWEZNQCLSA-N 0 1 237.318 2.479 20 0 BEADMN CC[C@H]1CN(CCc2ccc(F)cc2)CCO1 ZINC001351926587 982410498 /nfs/dbraw/zinc/41/04/98/982410498.db2.gz HBFZNJOWPUQHSF-AWEZNQCLSA-N 0 1 237.318 2.479 20 0 BEADMN CC/C=C/NC(=O)c1cc(Cl)ncc1O ZINC001196399423 982443574 /nfs/dbraw/zinc/44/35/74/982443574.db2.gz DPVLUMOFQUALJI-ONEGZZNKSA-N 0 1 226.663 2.094 20 0 BEADMN CC(C)Nc1ccnc(C2=CCN(C)CC2)n1 ZINC001241307332 982444140 /nfs/dbraw/zinc/44/41/40/982444140.db2.gz DSRCQCUKKDFXLW-UHFFFAOYSA-N 0 1 232.331 2.016 20 0 BEADMN CN1CC=C(c2cc(C(F)(F)F)ncn2)CC1 ZINC001241309010 982452032 /nfs/dbraw/zinc/45/20/32/982452032.db2.gz XMMZQTPPFPSBST-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CN1CC=C(c2cncc(C(F)(F)F)n2)CC1 ZINC001241310558 982454063 /nfs/dbraw/zinc/45/40/63/982454063.db2.gz HWIKSTJDZGFKBY-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN C[C@@H]1CCN1C(=O)c1cc(Cl)c(F)cc1O ZINC001196458629 982455987 /nfs/dbraw/zinc/45/59/87/982455987.db2.gz IXCRWZOQFYQZGW-ZCFIWIBFSA-N 0 1 243.665 2.419 20 0 BEADMN CN1CC=C(c2ncc3c(n2)CCCC3)CC1 ZINC001241317424 982471571 /nfs/dbraw/zinc/47/15/71/982471571.db2.gz OJYFGFBVHGVJIS-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CN1CC=C(c2cnc(C(C)(C)C)nc2)CC1 ZINC001241330516 982493974 /nfs/dbraw/zinc/49/39/74/982493974.db2.gz USPWKVKBQKRCPD-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN Cc1cc2nc(-c3ccc(=O)[nH]n3)[nH]c2cc1F ZINC001251059885 982498850 /nfs/dbraw/zinc/49/88/50/982498850.db2.gz ACKGVPZHZQWKBD-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CC(=O)Nc1ncc(C)cc1C1=CCN(C)CC1 ZINC001241333744 982502490 /nfs/dbraw/zinc/50/24/90/982502490.db2.gz XIGMVSBITPNQSI-UHFFFAOYSA-N 0 1 245.326 2.067 20 0 BEADMN Cc1ccc(-c2ncc3c(n2)CNC3)c(F)c1 ZINC001241351292 982506504 /nfs/dbraw/zinc/50/65/04/982506504.db2.gz IDIFUPHJQLSDHS-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CC(C)[N@H+]1CCCC[C@@H]1CSCC(=O)[O-] ZINC001588922343 982527591 /nfs/dbraw/zinc/52/75/91/982527591.db2.gz DMIQMOXQIAYQPF-SNVBAGLBSA-N 0 1 231.361 2.067 20 0 BEADMN CN(C)c1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001241367644 982530962 /nfs/dbraw/zinc/53/09/62/982530962.db2.gz VCXBABLRTABZHC-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1ccc(-c2[nH]ccc3ncnc2-3)cn1 ZINC001241367644 982530968 /nfs/dbraw/zinc/53/09/68/982530968.db2.gz VCXBABLRTABZHC-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COCCCN1CCCC[C@@H]1c1ncccn1 ZINC001197450204 982563681 /nfs/dbraw/zinc/56/36/81/982563681.db2.gz PPYZSXDRKOHAMW-GFCCVEGCSA-N 0 1 235.331 2.040 20 0 BEADMN Cc1ccc(NC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC001197467120 982567723 /nfs/dbraw/zinc/56/77/23/982567723.db2.gz JZHUVSXSALHMMX-UHFFFAOYSA-N 0 1 244.298 2.382 20 0 BEADMN CCN(OC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001352868718 982615688 /nfs/dbraw/zinc/61/56/88/982615688.db2.gz UCLQLBOHXCLQLA-UHFFFAOYSA-N 0 1 245.282 2.100 20 0 BEADMN CC(C)[C@H]1CCC[C@@H]1NCc1csnn1 ZINC001352879717 982619377 /nfs/dbraw/zinc/61/93/77/982619377.db2.gz ZHEKEOIWXBWOGX-MNOVXSKESA-N 0 1 225.361 2.452 20 0 BEADMN Cc1cccc(CN2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001203888728 982636970 /nfs/dbraw/zinc/63/69/70/982636970.db2.gz YUGDZZDQHOYMMC-ZIAGYGMSSA-N 0 1 237.318 2.147 20 0 BEADMN CN(C)Cc1ccc(-c2cncs2)nc1 ZINC001241496403 982652523 /nfs/dbraw/zinc/65/25/23/982652523.db2.gz DFWIPCHFSSVRAC-UHFFFAOYSA-N 0 1 219.313 2.267 20 0 BEADMN C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)[O-] ZINC001589247591 982676431 /nfs/dbraw/zinc/67/64/31/982676431.db2.gz OZSJTIMIXNUZNZ-AWEZNQCLSA-N 0 1 233.311 2.168 20 0 BEADMN Fc1cccnc1-c1cc2nc[nH]c2cn1 ZINC001241524291 982682506 /nfs/dbraw/zinc/68/25/06/982682506.db2.gz SONMAXUZTZRZGY-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CC(C)Cn1cc(Nc2nccn2C)cn1 ZINC001205837636 982700090 /nfs/dbraw/zinc/70/00/90/982700090.db2.gz RJECCEQYNBFBTI-UHFFFAOYSA-N 0 1 219.292 2.016 20 0 BEADMN Nc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001241538027 982708317 /nfs/dbraw/zinc/70/83/17/982708317.db2.gz RDUFVRJEQBKRCQ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1[nH]nc2c1CC[C@@H]2C ZINC001198425714 982715842 /nfs/dbraw/zinc/71/58/42/982715842.db2.gz SGQOFEUTFCBTRG-DTWKUNHWSA-N 0 1 235.331 2.234 20 0 BEADMN Nc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001241542989 982737713 /nfs/dbraw/zinc/73/77/13/982737713.db2.gz JDHJQPTUUPVGJR-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC=C(c2cccnc2)C1 ZINC001589445502 982797624 /nfs/dbraw/zinc/79/76/24/982797624.db2.gz QIKUVKZAFWWCRZ-CYBMUJFWSA-N 0 1 246.310 2.034 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC001589445493 982800030 /nfs/dbraw/zinc/80/00/30/982800030.db2.gz PYOLLORYZRCBLR-VXGBXAGGSA-N 0 1 248.326 2.328 20 0 BEADMN COC(=O)c1ccccc1C1=CCCN(C)C1 ZINC001241568101 982813525 /nfs/dbraw/zinc/81/35/25/982813525.db2.gz AQNNUWGFCHYNNY-UHFFFAOYSA-N 0 1 231.295 2.192 20 0 BEADMN CN1CCC=C(c2cc(C3CC3)ncn2)C1 ZINC001241567718 982814159 /nfs/dbraw/zinc/81/41/59/982814159.db2.gz GIOMYIUSPCQERY-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN Cc1nc(C)c(C2=CCCN(C)C2)nc1C ZINC001241568595 982815818 /nfs/dbraw/zinc/81/58/18/982815818.db2.gz JONLNZXIJSDMMF-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN COC(=O)c1cccc(C2=CCCN(C)C2)c1F ZINC001241571047 982823367 /nfs/dbraw/zinc/82/33/67/982823367.db2.gz ULIRALZLSHFQIP-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CSc1ccc(-c2cc(N)ccn2)cn1 ZINC001241631351 982870176 /nfs/dbraw/zinc/87/01/76/982870176.db2.gz IPCRQTSLHSJSOU-UHFFFAOYSA-N 0 1 217.297 2.448 20 0 BEADMN COc1cnc(-c2ccc3c(c2)n[nH]c3C)cn1 ZINC001241636992 982873117 /nfs/dbraw/zinc/87/31/17/982873117.db2.gz PKDGSDDLUJVTHF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cncnc1-c1ccc2c(c1)n[nH]c2C ZINC001241636809 982875488 /nfs/dbraw/zinc/87/54/88/982875488.db2.gz ODBDZXUYBORXIZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN1CC2(C1)CN(Cc1ccc(Cl)cc1)C2 ZINC001203923085 982878481 /nfs/dbraw/zinc/87/84/81/982878481.db2.gz LZASIOSXFMJZSD-UHFFFAOYSA-N 0 1 236.746 2.087 20 0 BEADMN Cc1cc(-c2cnc(N)nc2C)cc2nc[nH]c21 ZINC001241645709 982886043 /nfs/dbraw/zinc/88/60/43/982886043.db2.gz VJSRWRIBULOGRF-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN CN(C)c1ncc(C[N@H+]2CC[C@H](CF)C2)s1 ZINC001353607694 982920605 /nfs/dbraw/zinc/92/06/05/982920605.db2.gz XBFPWQMKOXNODI-SECBINFHSA-N 0 1 243.351 2.001 20 0 BEADMN c1cc2cnc(-c3ccc4[nH]cnc4c3)nc2[nH]1 ZINC001241679961 982926778 /nfs/dbraw/zinc/92/67/78/982926778.db2.gz DZGJTVIVNCQSBU-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN Fc1nccc(-c2ccc3[nH]cnc3c2)n1 ZINC001241688040 982932869 /nfs/dbraw/zinc/93/28/69/982932869.db2.gz ILJVIHZDYXOLJL-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CN(C)c1cnc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241687874 982937906 /nfs/dbraw/zinc/93/79/06/982937906.db2.gz FTHNBIOUVDOESQ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1ncc(-c2ccc3nc[nH]c3c2)c(C)n1 ZINC001241697812 982951545 /nfs/dbraw/zinc/95/15/45/982951545.db2.gz KLUVBQSOCRGANK-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN c1cn2cc(-c3ccc4[nH]cnc4c3)ncc2n1 ZINC001241697132 982954814 /nfs/dbraw/zinc/95/48/14/982954814.db2.gz SBSSYNZXFJEDIF-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Fc1cnc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241698204 982956694 /nfs/dbraw/zinc/95/66/94/982956694.db2.gz YGJKNHVXIHNGHY-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCOc1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001241701512 982960217 /nfs/dbraw/zinc/96/02/17/982960217.db2.gz MYHZGXOQCIAPSK-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Nc1n[nH]c2ccc(-c3cccc4cncn43)cc12 ZINC001241728761 983016275 /nfs/dbraw/zinc/01/62/75/983016275.db2.gz ZHEWDOQLBQHYOP-UHFFFAOYSA-N 0 1 249.277 2.460 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1ccc(F)cn1 ZINC001241807480 983062007 /nfs/dbraw/zinc/06/20/07/983062007.db2.gz DYXMYEJWZVLXTQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN c1nc2cc(-c3cscn3)ncc2[nH]1 ZINC001241887530 983098780 /nfs/dbraw/zinc/09/87/80/983098780.db2.gz LEYARTCMPKWNCB-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN CN(CCC1CCCCC1)c1nccnc1CN ZINC001354099909 983151540 /nfs/dbraw/zinc/15/15/40/983151540.db2.gz MIFKYKXNHADKMO-UHFFFAOYSA-N 0 1 248.374 2.342 20 0 BEADMN c1cc(-c2ccc(C3CC3)nn2)cc2[nH]nnc12 ZINC001241937722 983152513 /nfs/dbraw/zinc/15/25/13/983152513.db2.gz CMEPKXGMSQRFCA-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN COc1ncc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001241940543 983156865 /nfs/dbraw/zinc/15/68/65/983156865.db2.gz JLMLVGKFZJWSGU-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ncc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001241940543 983156874 /nfs/dbraw/zinc/15/68/74/983156874.db2.gz JLMLVGKFZJWSGU-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)c(F)n1 ZINC001241944156 983163184 /nfs/dbraw/zinc/16/31/84/983163184.db2.gz IUYSXQSXNHXKAH-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)c(F)n1 ZINC001241944156 983163190 /nfs/dbraw/zinc/16/31/90/983163190.db2.gz IUYSXQSXNHXKAH-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCOc1cncc(-c2ccc3[nH]nnc3c2)c1 ZINC001241942696 983163436 /nfs/dbraw/zinc/16/34/36/983163436.db2.gz ZKKWNLKJTNBHGC-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1cncc(-c2ccc3nn[nH]c3c2)c1 ZINC001241942696 983163441 /nfs/dbraw/zinc/16/34/41/983163441.db2.gz ZKKWNLKJTNBHGC-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN COc1ccnc(F)c1-c1ccc2nn[nH]c2c1 ZINC001241944922 983163530 /nfs/dbraw/zinc/16/35/30/983163530.db2.gz UIXOEFGPKWCNPV-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CCOC(=O)c1cncc(Nc2ccncc2)c1 ZINC000082717155 983168705 /nfs/dbraw/zinc/16/87/05/983168705.db2.gz JAYDNWPQPCUEKX-UHFFFAOYSA-N 0 1 243.266 2.397 20 0 BEADMN CC(C)CC[C@H]1CCCN1c1nccnc1CN ZINC001354131601 983169918 /nfs/dbraw/zinc/16/99/18/983169918.db2.gz ITFKMYHGCZQKGF-GFCCVEGCSA-N 0 1 248.374 2.340 20 0 BEADMN CC(C)[C@@H](O)CCNCc1cnc(C2CC2)o1 ZINC001200581407 983179050 /nfs/dbraw/zinc/17/90/50/983179050.db2.gz RWGBNOXMYUETLP-LBPRGKRZSA-N 0 1 238.331 2.049 20 0 BEADMN CC[C@@H](CC(F)(F)F)Nc1nccnc1CN ZINC001354162569 983179330 /nfs/dbraw/zinc/17/93/30/983179330.db2.gz BMJLWGFIBSASBE-ZETCQYMHSA-N 0 1 248.252 2.078 20 0 BEADMN O=c1cc(N=C2CCSCC2)nc(C2CC2)[nH]1 ZINC001201332408 983180018 /nfs/dbraw/zinc/18/00/18/983180018.db2.gz PSTDEXNNHZKYIW-UHFFFAOYSA-N 0 1 249.339 2.492 20 0 BEADMN Cc1nccc(NC2=CCSCC2)n1 ZINC001201326433 983184624 /nfs/dbraw/zinc/18/46/24/983184624.db2.gz HSYTWDPEIPEKBG-UHFFFAOYSA-N 0 1 207.302 2.218 20 0 BEADMN c1cc2n(n1)CCN(C[C@@H]1CC=CCC1)C2 ZINC001201427420 983227777 /nfs/dbraw/zinc/22/77/77/983227777.db2.gz MSBXVWQEYLBMAZ-GFCCVEGCSA-N 0 1 217.316 2.055 20 0 BEADMN Cc1ccc(-c2cnc(CN)nc2)c(F)c1F ZINC001242029829 983244887 /nfs/dbraw/zinc/24/48/87/983244887.db2.gz AROCIYMKJSJLOB-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccnnc1 ZINC001242055859 983263277 /nfs/dbraw/zinc/26/32/77/983263277.db2.gz NTHYRDPOLAJFLL-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccncc1-c1cncc2[nH]cnc21 ZINC001242057306 983264528 /nfs/dbraw/zinc/26/45/28/983264528.db2.gz OQGQUVOJGQZOEB-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccncc1-c1cncc2nc[nH]c21 ZINC001242057306 983264537 /nfs/dbraw/zinc/26/45/37/983264537.db2.gz OQGQUVOJGQZOEB-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CC=CCC2)n1 ZINC001200629876 983278231 /nfs/dbraw/zinc/27/82/31/983278231.db2.gz BYMITJMPYMKCFQ-SECBINFHSA-N 0 1 225.723 2.272 20 0 BEADMN CC(C)CN1CC(Oc2ccccc2)C1 ZINC001201477357 983281026 /nfs/dbraw/zinc/28/10/26/983281026.db2.gz ZXGZLCYRLUEDQA-UHFFFAOYSA-N 0 1 205.301 2.406 20 0 BEADMN CCC[C@H](C)CN1CCN(C(C)(C)C)C(=O)C1 ZINC001201552367 983307003 /nfs/dbraw/zinc/30/70/03/983307003.db2.gz LOZHIULBYOBPKI-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN c1ncn2cccc(C3=CCOCC3)c12 ZINC001242077423 983326242 /nfs/dbraw/zinc/32/62/42/983326242.db2.gz SJEWXDAKPDNFMS-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN CCN1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001201573172 983336021 /nfs/dbraw/zinc/33/60/21/983336021.db2.gz LMJBUPJKFVQWPA-GHMZBOCLSA-N 0 1 240.347 2.090 20 0 BEADMN CCCC[C@@H](CC)CN1CCO[C@H](C(C)=O)C1 ZINC001201572383 983337830 /nfs/dbraw/zinc/33/78/30/983337830.db2.gz JLCJAGPNHVHDRV-KGLIPLIRSA-N 0 1 241.375 2.493 20 0 BEADMN Cc1noc(C)c1-c1cc2nc[nH]c2cn1 ZINC001242104321 983345503 /nfs/dbraw/zinc/34/55/03/983345503.db2.gz VKGXHNCEHDUYGM-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCOC(=O)[C@]12C[C@H]1CCN2CCC(C)C ZINC001201615458 983379175 /nfs/dbraw/zinc/37/91/75/983379175.db2.gz WBRSPBHOXYHUII-YPMHNXCESA-N 0 1 225.332 2.060 20 0 BEADMN CN(C)c1ccccc1-c1cc(N)ccn1 ZINC001242168495 983385327 /nfs/dbraw/zinc/38/53/27/983385327.db2.gz OPQTVROFDYPRGY-UHFFFAOYSA-N 0 1 213.284 2.397 20 0 BEADMN CCCCN(CCCSC)CC(=O)OCC ZINC001201696425 983407384 /nfs/dbraw/zinc/40/73/84/983407384.db2.gz LSBUVXWRPMBIQC-UHFFFAOYSA-N 0 1 247.404 2.405 20 0 BEADMN CCOC(=O)C1CN(CCCc2ccccc2)C1 ZINC001201663280 983408284 /nfs/dbraw/zinc/40/82/84/983408284.db2.gz DSQARPNTWRSDKK-UHFFFAOYSA-N 0 1 247.338 2.114 20 0 BEADMN COc1nc(C)cc(-c2ccc(F)cc2O)n1 ZINC001242215534 983408616 /nfs/dbraw/zinc/40/86/16/983408616.db2.gz CASNMRYNUBMJRP-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Oc1cc(F)ccc1-c1cnc2cc[nH]c2n1 ZINC001242216873 983416271 /nfs/dbraw/zinc/41/62/71/983416271.db2.gz NYQJBVIGONRDQO-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cncnc1-c1ccc(F)cc1O ZINC001242217128 983416631 /nfs/dbraw/zinc/41/66/31/983416631.db2.gz RFCOJMVSAOZMHG-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN CCOc1cc(-c2ccc(F)cc2O)ncn1 ZINC001242218293 983418845 /nfs/dbraw/zinc/41/88/45/983418845.db2.gz QUFFTDXBLHFSOJ-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN CCCCCN(CC)[C@@H](C)C(=O)OC ZINC001201744575 983448427 /nfs/dbraw/zinc/44/84/27/983448427.db2.gz LGAYTEVWRVHBOA-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCCCCN1CC[C@@](C)(O)[C@@H](F)C1 ZINC001201743506 983449411 /nfs/dbraw/zinc/44/94/11/983449411.db2.gz RQUSLILJXXVXGT-NWDGAFQWSA-N 0 1 217.328 2.362 20 0 BEADMN Cc1cccc(-c2cnc(CN)nc2)c1F ZINC001242238670 983449947 /nfs/dbraw/zinc/44/99/47/983449947.db2.gz PQDKIVJOFZSULK-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN c1cn(C2CC2)c(CN[C@@H]2C=CCCC2)n1 ZINC001355273672 983457841 /nfs/dbraw/zinc/45/78/41/983457841.db2.gz FNPSEDKGAYCIJC-LLVKDONJSA-N 0 1 217.316 2.416 20 0 BEADMN NCc1ncc(-c2ccc3cccnc3c2)cn1 ZINC001242249448 983461230 /nfs/dbraw/zinc/46/12/30/983461230.db2.gz MBEIZERIYISMSU-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2CC=CCC2)[nH]1 ZINC001355303523 983467418 /nfs/dbraw/zinc/46/74/18/983467418.db2.gz ZVMUSLNZWABSBO-VIFPVBQESA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2CC=CCC2)n1 ZINC001355303523 983467430 /nfs/dbraw/zinc/46/74/30/983467430.db2.gz ZVMUSLNZWABSBO-VIFPVBQESA-N 0 1 234.303 2.052 20 0 BEADMN COc1nccc(CNC/C=C/C2CC2)c1F ZINC001355323514 983471496 /nfs/dbraw/zinc/47/14/96/983471496.db2.gz XTZLRVWFXIHMSN-NSCUHMNNSA-N 0 1 236.290 2.285 20 0 BEADMN Cc1cccc(-c2cc(N)ccn2)c1O ZINC001242343579 983593623 /nfs/dbraw/zinc/59/36/23/983593623.db2.gz ZEZKTEZEYALMRZ-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN Cc1cccc(-c2nc3nc[nH]c3c(C)n2)c1O ZINC001242344421 983596961 /nfs/dbraw/zinc/59/69/61/983596961.db2.gz VVIHLYIZABMPER-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN CCOc1ccc(-c2cccc(F)c2O)nn1 ZINC001242348170 983609176 /nfs/dbraw/zinc/60/91/76/983609176.db2.gz PBEIQPKYPFMORO-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Cn1ccc2ncnc(-c3cccc(F)c3O)c21 ZINC001242349568 983609515 /nfs/dbraw/zinc/60/95/15/983609515.db2.gz MZLYHEXJXMBIQD-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN COCc1cc(-c2cccc(F)c2O)ncn1 ZINC001242349351 983610302 /nfs/dbraw/zinc/61/03/02/983610302.db2.gz HIBTVEAUZDLXJR-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN Cn1cnc2ccnc(-c3cccc(F)c3O)c21 ZINC001242349778 983617551 /nfs/dbraw/zinc/61/75/51/983617551.db2.gz SADNGQHDIBLQEW-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN CC[N@@H+](CC(C)C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596231579 983627109 /nfs/dbraw/zinc/62/71/09/983627109.db2.gz RAENBKDGHNJWTB-LLVKDONJSA-N 0 1 241.331 2.112 20 0 BEADMN CC[N@@H+](CC(C)C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596231580 983627180 /nfs/dbraw/zinc/62/71/80/983627180.db2.gz RAENBKDGHNJWTB-NSHDSACASA-N 0 1 241.331 2.112 20 0 BEADMN NC(=O)c1ccncc1-c1cccc(Cl)c1O ZINC001242366432 983659411 /nfs/dbraw/zinc/65/94/11/983659411.db2.gz MJBQCJZWGVPMDO-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN CC[N@@H+](CC1CC1)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001596294080 983714844 /nfs/dbraw/zinc/71/48/44/983714844.db2.gz FCPYGKJLSHMNCM-QMMMGPOBSA-N 0 1 238.287 2.166 20 0 BEADMN CC[N@@H+](CCC1CC1)[C@H](C(=O)[O-])c1cccnc1 ZINC001596320629 983751382 /nfs/dbraw/zinc/75/13/82/983751382.db2.gz FOLGJGUSNRMSPR-ZDUSSCGKSA-N 0 1 248.326 2.329 20 0 BEADMN Cn1ccc(-c2nc[nH]c3nc(=S)sc2-3)n1 ZINC001242458564 983767850 /nfs/dbraw/zinc/76/78/50/983767850.db2.gz QPDWFKDBVNPTFK-UHFFFAOYSA-N 0 1 249.324 2.101 20 0 BEADMN CC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C(C)(C)C ZINC001596354467 983818737 /nfs/dbraw/zinc/81/87/37/983818737.db2.gz SFZSHUPXLOZFKC-UHFFFAOYSA-N 0 1 224.304 2.333 20 0 BEADMN CCc1ncccc1-c1nc(F)nc2nc[nH]c21 ZINC001242518724 983837883 /nfs/dbraw/zinc/83/78/83/983837883.db2.gz AWPXQLPDVQDRKU-UHFFFAOYSA-N 0 1 243.245 2.068 20 0 BEADMN Cc1ccncc1CNCc1cccc(F)c1N ZINC001202513310 983840988 /nfs/dbraw/zinc/84/09/88/983840988.db2.gz LXWDMLQSIQEWQM-UHFFFAOYSA-N 0 1 245.301 2.401 20 0 BEADMN OCc1ccc(-c2ccc3[nH]nnc3c2)cc1F ZINC001242531690 983853588 /nfs/dbraw/zinc/85/35/88/983853588.db2.gz FRLKBXMXDURTFC-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(-c2ccc3nn[nH]c3c2)cc1F ZINC001242531690 983853590 /nfs/dbraw/zinc/85/35/90/983853590.db2.gz FRLKBXMXDURTFC-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CCC[C@@H](O)CNc1nc2cc(C)ccc2[nH]1 ZINC001252771242 983873989 /nfs/dbraw/zinc/87/39/89/983873989.db2.gz JAWZDUZVUVQHAO-SNVBAGLBSA-N 0 1 233.315 2.444 20 0 BEADMN CCC[C@@H](O)CNc1ccc2c(C)[nH]nc2c1 ZINC001252793939 983891260 /nfs/dbraw/zinc/89/12/60/983891260.db2.gz SFARVQDNIMLXKD-LLVKDONJSA-N 0 1 233.315 2.444 20 0 BEADMN CCC[C@@H](O)CN[C@@H]1COc2ccc(F)cc21 ZINC001252804271 983896853 /nfs/dbraw/zinc/89/68/53/983896853.db2.gz JDCSNESINAEZKL-ZYHUDNBSSA-N 0 1 239.290 2.010 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2nccnc21 ZINC001474243104 983901514 /nfs/dbraw/zinc/90/15/14/983901514.db2.gz YXMCTDNWFPSAES-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CC[N@@H+](Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001596380690 983904326 /nfs/dbraw/zinc/90/43/26/983904326.db2.gz VASNPIQPAALYEC-UHFFFAOYSA-N 0 1 228.317 2.072 20 0 BEADMN CC(C)n1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cn1 ZINC001137080825 983918960 /nfs/dbraw/zinc/91/89/60/983918960.db2.gz VCWRNUUSMAPZTJ-XYYAHUGASA-N 0 1 237.322 2.111 20 0 BEADMN CCOc1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001242656295 984024530 /nfs/dbraw/zinc/02/45/30/984024530.db2.gz UNZSBPLFZLZXHU-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN F[C@H]1CN(CC2CCOCC2)CCC1(F)F ZINC001202551079 984027981 /nfs/dbraw/zinc/02/79/81/984027981.db2.gz HJDXMAPCZZDYHE-JTQLQIEISA-N 0 1 237.265 2.092 20 0 BEADMN C[C@@H](NC[C@@H]1CCC=CO1)c1cscn1 ZINC000379945712 984038624 /nfs/dbraw/zinc/03/86/24/984038624.db2.gz DDMOWIUSCYRIID-ZJUUUORDSA-N 0 1 224.329 2.486 20 0 BEADMN CCC[C@@H](C)[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC001573727190 984042236 /nfs/dbraw/zinc/04/22/36/984042236.db2.gz BLZJFOLWXJNQNJ-MFKMUULPSA-N 0 1 243.322 2.454 20 0 BEADMN NCc1ncc(-c2cnc3sccc3c2)cn1 ZINC001242682448 984049444 /nfs/dbraw/zinc/04/94/44/984049444.db2.gz ZLPNIBSKYWDLOD-UHFFFAOYSA-N 0 1 242.307 2.212 20 0 BEADMN CC[N@H+]1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001596421671 984058293 /nfs/dbraw/zinc/05/82/93/984058293.db2.gz OGBVHWXVNPTJTA-MRVPVSSYSA-N 0 1 240.328 2.307 20 0 BEADMN Cc1nnc(-c2cc3ccc(C)nc3[nH]2)o1 ZINC001253392226 984147726 /nfs/dbraw/zinc/14/77/26/984147726.db2.gz KPPCCGBBQMYBOG-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCCCC[C@@H](O)CNc1n[nH]c2cnccc21 ZINC001253518917 984189034 /nfs/dbraw/zinc/18/90/34/984189034.db2.gz MMACTQJFUPODRF-SNVBAGLBSA-N 0 1 248.330 2.311 20 0 BEADMN Cc1cc(F)ncc1Nc1ccnc(CO)c1 ZINC001212813878 984228543 /nfs/dbraw/zinc/22/85/43/984228543.db2.gz WIVWHHYMBUGHDY-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN c1csc(-c2cccc3cncn32)n1 ZINC001242896653 984254229 /nfs/dbraw/zinc/25/42/29/984254229.db2.gz LNKRULMFKZEUOI-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN Cc1nc2ccc(Nc3cnns3)cc2[nH]1 ZINC001213071233 984258743 /nfs/dbraw/zinc/25/87/43/984258743.db2.gz GVNKSLXDYQLENQ-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1c(F)nccc1Nc1ccnc(CO)c1 ZINC001212839770 984272862 /nfs/dbraw/zinc/27/28/62/984272862.db2.gz GXBHUBZJJFDLOT-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN Oc1cc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001243048999 984395673 /nfs/dbraw/zinc/39/56/73/984395673.db2.gz ODASHFMWSSRMJT-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc(F)cc(CN2CC3(CCN3C)C2)c1 ZINC001274999080 984433888 /nfs/dbraw/zinc/43/38/88/984433888.db2.gz OKUFYMMRFPVVAK-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN Cc1nc([C@H](C)Nc2nc(C(C)C)no2)no1 ZINC001322164056 984503437 /nfs/dbraw/zinc/50/34/37/984503437.db2.gz ABQDGOVTUIWJBO-LURJTMIESA-N 0 1 237.263 2.058 20 0 BEADMN COc1cc(C)ccc1NC(=O)c1[nH]cnc1C ZINC001442627868 984504594 /nfs/dbraw/zinc/50/45/94/984504594.db2.gz AHMRWEXUHRVYIZ-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN CCC(=O)N[C@@H](C)CN(C)Cc1ccsc1 ZINC001275489622 984581706 /nfs/dbraw/zinc/58/17/06/984581706.db2.gz ZOQRZSXPEYOINJ-JTQLQIEISA-N 0 1 240.372 2.095 20 0 BEADMN CSc1cccc(F)c1-c1cnc(CN)nc1 ZINC001243122852 984589408 /nfs/dbraw/zinc/58/94/08/984589408.db2.gz AKTIPYNLZBMITR-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN Cc1cnc(F)c(-c2nccc3[nH]cnc32)c1 ZINC001243158025 984609590 /nfs/dbraw/zinc/60/95/90/984609590.db2.gz APQVZSLBRHRUEX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC001588945770 984654443 /nfs/dbraw/zinc/65/44/43/984654443.db2.gz MSMWTHTUZASOSA-UJICNMFASA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC001588945766 984654462 /nfs/dbraw/zinc/65/44/62/984654462.db2.gz MSMWTHTUZASOSA-RNKPRXRFSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001588949417 984673565 /nfs/dbraw/zinc/67/35/65/984673565.db2.gz RTZZWJTYPOITCQ-MQGYJPLLSA-N 0 1 223.316 2.139 20 0 BEADMN O=c1cc(-c2cc(N3CCCC3)ccn2)cc[nH]1 ZINC001243428233 984921176 /nfs/dbraw/zinc/92/11/76/984921176.db2.gz SYOXTDUCHKRECV-UHFFFAOYSA-N 0 1 241.294 2.449 20 0 BEADMN CCCCCC[C@H](C)N1CC(NC(C)=O)C1 ZINC001257369055 984937359 /nfs/dbraw/zinc/93/73/59/984937359.db2.gz SNYKYDHNGWHCJI-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CC[C@@H](C)N1CCC[C@H]1c1nc(C)no1 ZINC001257442632 985017905 /nfs/dbraw/zinc/01/79/05/985017905.db2.gz DZGZDEMALQPACM-SCZZXKLOSA-N 0 1 209.293 2.313 20 0 BEADMN CC[C@H](C)N1CCC[C@H]1c1nc(C)no1 ZINC001257442633 985020342 /nfs/dbraw/zinc/02/03/42/985020342.db2.gz DZGZDEMALQPACM-WPRPVWTQSA-N 0 1 209.293 2.313 20 0 BEADMN c1cc([C@H]2CN(CC3CCC3)CCO2)ccn1 ZINC001202775698 985069209 /nfs/dbraw/zinc/06/92/09/985069209.db2.gz HFYBFLNFYXYSDF-CQSZACIVSA-N 0 1 232.327 2.255 20 0 BEADMN Oc1cccc(-c2cc3nc[nH]c3cn2)c1F ZINC001243543826 985079863 /nfs/dbraw/zinc/07/98/63/985079863.db2.gz QKYHVXKCMAQYET-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCCN(CC(=O)OCC)CC1CCC1 ZINC001202776544 985095536 /nfs/dbraw/zinc/09/55/36/985095536.db2.gz VLPXCLPFCZSKEZ-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CCO[C@H](CO)C1 ZINC001257477177 985104384 /nfs/dbraw/zinc/10/43/84/985104384.db2.gz MPKCYVBOPXBQRU-IHRRRGAJSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H](C)C2CCCC2)[nH]1 ZINC001456144764 985113810 /nfs/dbraw/zinc/11/38/10/985113810.db2.gz XQPIBGRCLJZOHP-JTQLQIEISA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)/C=C2\CC[C@@H](C)C2)[nH]1 ZINC001456144747 985119489 /nfs/dbraw/zinc/11/94/89/985119489.db2.gz XPAVEMQICFXJHN-UEUZTHOGSA-N 0 1 247.342 2.335 20 0 BEADMN Cc1[nH]ccc1C(=O)Nc1ccc2cncn2c1 ZINC001456447639 985144041 /nfs/dbraw/zinc/14/40/41/985144041.db2.gz OWIFPWVEVLVTMI-UHFFFAOYSA-N 0 1 240.266 2.223 20 0 BEADMN Cc1nocc1-c1ccc(CN(C)C)cn1 ZINC001243675125 985170870 /nfs/dbraw/zinc/17/08/70/985170870.db2.gz WKURRZZCTZDUHO-UHFFFAOYSA-N 0 1 217.272 2.107 20 0 BEADMN CN(C)c1ccnc(-c2cc(F)cc(CO)c2)c1 ZINC001243693893 985217226 /nfs/dbraw/zinc/21/72/26/985217226.db2.gz NOVSKZDRGUAQHA-UHFFFAOYSA-N 0 1 246.285 2.446 20 0 BEADMN CC(C)=CC(=O)NCCCCc1ccnc(N)c1 ZINC001457422205 985219787 /nfs/dbraw/zinc/21/97/87/985219787.db2.gz LPSWGJAJOHJQEU-UHFFFAOYSA-N 0 1 247.342 2.069 20 0 BEADMN Cc1cc(CO)cc(-c2cc3[nH]cnc3cn2)c1 ZINC001243697838 985227107 /nfs/dbraw/zinc/22/71/07/985227107.db2.gz IAFOUJXHDGFIHS-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CC[C@H]1C(=O)[O-] ZINC001599929160 985272220 /nfs/dbraw/zinc/27/22/20/985272220.db2.gz WSEZJLIJGNNNDS-YNEHKIRRSA-N 0 1 237.343 2.385 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001138390971 985301451 /nfs/dbraw/zinc/30/14/51/985301451.db2.gz LZLNBYGAAYYHIO-VXGBXAGGSA-N 0 1 232.327 2.409 20 0 BEADMN Cc1nccc(NCc2ccc3cncn3c2)n1 ZINC001458434412 985310490 /nfs/dbraw/zinc/31/04/90/985310490.db2.gz WQHFYFGHHZMPCD-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CC(N2CC(F)C2)C1 ZINC001258087115 985385468 /nfs/dbraw/zinc/38/54/68/985385468.db2.gz ZRMCNQBKEIAYAL-GFCCVEGCSA-N 0 1 240.366 2.459 20 0 BEADMN CCCCCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000077313498 985443455 /nfs/dbraw/zinc/44/34/55/985443455.db2.gz BBBLWNNXYMMVOR-NWDGAFQWSA-N 0 1 249.420 2.320 20 0 BEADMN OCCc1ccc(-c2cccc3[nH]nnc32)cc1 ZINC001243850268 985489675 /nfs/dbraw/zinc/48/96/75/985489675.db2.gz PJXHDZCBJARPHK-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN C[C@H](Cc1ccco1)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001258185396 985578950 /nfs/dbraw/zinc/57/89/50/985578950.db2.gz FOMHEVTVYMUBQJ-KGYLQXTDSA-N 0 1 241.306 2.005 20 0 BEADMN CN(C)c1cnc(-c2cccc3nc[nH]c32)cn1 ZINC001243931816 985605549 /nfs/dbraw/zinc/60/55/49/985605549.db2.gz WIBQQOXJTUQTRI-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Nc1cn2ccc(-c3cccc4nc[nH]c43)cc2n1 ZINC001243932867 985609493 /nfs/dbraw/zinc/60/94/93/985609493.db2.gz PUMOZJCKGCSLRP-UHFFFAOYSA-N 0 1 249.277 2.460 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CCC(F)(F)CC1 ZINC000688333846 985621194 /nfs/dbraw/zinc/62/11/94/985621194.db2.gz IGNSBLLPGLGYNB-SECBINFHSA-N 0 1 233.258 2.113 20 0 BEADMN COC(=O)c1cccc(C2=CNCCC2)c1OC ZINC001243950058 985644460 /nfs/dbraw/zinc/64/44/60/985644460.db2.gz LTPHBJWFUYNGEP-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN COC(=O)c1ccc(C2=CNCCC2)c(OC)c1 ZINC001243950515 985646652 /nfs/dbraw/zinc/64/66/52/985646652.db2.gz XJFDXXHETNAKFN-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN C[S@](=O)c1ccccc1C1=CNCCC1 ZINC001243950361 985651214 /nfs/dbraw/zinc/65/12/14/985651214.db2.gz QFHCRCFDXPLOMA-HNNXBMFYSA-N 0 1 221.325 2.148 20 0 BEADMN CC(C)COc1ncc(C2=CNCCC2)cn1 ZINC001243952865 985663545 /nfs/dbraw/zinc/66/35/45/985663545.db2.gz WYATWWRSFDHNDK-UHFFFAOYSA-N 0 1 233.315 2.236 20 0 BEADMN Cc1nc2cc(-c3cnc(F)cn3)ccc2[nH]1 ZINC001243966280 985683017 /nfs/dbraw/zinc/68/30/17/985683017.db2.gz FRGLRQYRMAVURX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CN(C)Cc1ccc(-c2cc(F)nc(F)c2)nc1 ZINC001243975257 985702613 /nfs/dbraw/zinc/70/26/13/985702613.db2.gz YNHMPGQBZZJBKK-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN COc1cc(O)ccc1-c1cncc2nc[nH]c21 ZINC001243977903 985703518 /nfs/dbraw/zinc/70/35/18/985703518.db2.gz CCKSULZQSPWQKD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cc(O)ccc1-c1cc(N)ccn1 ZINC001243979094 985709343 /nfs/dbraw/zinc/70/93/43/985709343.db2.gz FUVRGNDWYJLAFJ-UHFFFAOYSA-N 0 1 216.240 2.045 20 0 BEADMN NC(=O)c1ccc(-c2c(O)cccc2Cl)nc1 ZINC001244030708 985760278 /nfs/dbraw/zinc/76/02/78/985760278.db2.gz GYZVKTDCQCTUPL-UHFFFAOYSA-N 0 1 248.669 2.207 20 0 BEADMN C[C@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CCC1(F)F ZINC001594509674 985780530 /nfs/dbraw/zinc/78/05/30/985780530.db2.gz WZQCBEYLFFUWMB-VIFPVBQESA-N 0 1 247.285 2.218 20 0 BEADMN Nc1cnc(-c2cc(F)c(O)c(F)c2)c(F)c1 ZINC001244094679 985806991 /nfs/dbraw/zinc/80/69/91/985806991.db2.gz RFFSMKXCPYKFMK-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Cn1ccc(-c2cc(F)c(O)c(F)c2)n1 ZINC001244095129 985807517 /nfs/dbraw/zinc/80/75/17/985807517.db2.gz BATJPSWAQXVXBG-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN Cc1ncc(-c2cc(F)c(O)c(F)c2)cn1 ZINC001244095248 985809675 /nfs/dbraw/zinc/80/96/75/985809675.db2.gz CTFDRVSKKUIBDK-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN FC[C@H]1CCCN1Cc1cnc2[nH]ccc2c1 ZINC001138744180 985810439 /nfs/dbraw/zinc/81/04/39/985810439.db2.gz MPJFZZZRMXDRDZ-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN [NH3+]Cc1cc(-c2cc(F)c([O-])c(F)c2)ccn1 ZINC001244098074 985811564 /nfs/dbraw/zinc/81/15/64/985811564.db2.gz WPMMYKXAAHDWBI-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN COC1CCC(=Nc2cc(C)n(C)n2)CC1 ZINC001212872255 985818089 /nfs/dbraw/zinc/81/80/89/985818089.db2.gz QYPSWXNOEALPCV-NSHDSACASA-N 0 1 221.304 2.223 20 0 BEADMN COC1CCC(=Nc2nccnc2C)CC1 ZINC001212873392 985823386 /nfs/dbraw/zinc/82/33/86/985823386.db2.gz JWUMAGUHOVIFCY-NSHDSACASA-N 0 1 219.288 2.280 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C=C2CCCC2)n1 ZINC000795336089 985824309 /nfs/dbraw/zinc/82/43/09/985824309.db2.gz RGHKRRLTQHMBSI-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN CC(C)c1nc(COC(=O)C=C2CCCC2)n[nH]1 ZINC000795336089 985824322 /nfs/dbraw/zinc/82/43/22/985824322.db2.gz RGHKRRLTQHMBSI-UHFFFAOYSA-N 0 1 249.314 2.472 20 0 BEADMN COC1CCC(=Nc2cnn3c2OCCC3)CC1 ZINC001212878788 985856108 /nfs/dbraw/zinc/85/61/08/985856108.db2.gz WJFZLXMEUGDQNI-LLVKDONJSA-N 0 1 249.314 2.160 20 0 BEADMN Cc1[nH]c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001599964573 985874358 /nfs/dbraw/zinc/87/43/58/985874358.db2.gz NQSDZIUSSINZOK-GWCFXTLKSA-N 0 1 248.326 2.396 20 0 BEADMN CCCCC[C@@H](CC)N1CC(=O)N[C@H](C)C1 ZINC001258436504 985879726 /nfs/dbraw/zinc/87/97/26/985879726.db2.gz PWUNYQYCQGYBKW-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN Nc1cc(-c2ccc(CCC(=O)[O-])cc2)cc[nH+]1 ZINC001244189755 985880567 /nfs/dbraw/zinc/88/05/67/985880567.db2.gz UYZXGXIRTRTWHM-UHFFFAOYSA-N 0 1 242.278 2.348 20 0 BEADMN Cc1cc2cc(-c3cnc(CN)nc3)ccc2[nH]1 ZINC001244242276 985899778 /nfs/dbraw/zinc/89/97/78/985899778.db2.gz SUZNBGWVVVNPLX-UHFFFAOYSA-N 0 1 238.294 2.392 20 0 BEADMN C[C@H](CC1CC1)N1CC(N2CCC(F)(F)C2)C1 ZINC001258468675 985929334 /nfs/dbraw/zinc/92/93/34/985929334.db2.gz ZSZGZICGXDSBMC-SNVBAGLBSA-N 0 1 244.329 2.200 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@@H](C2CCCC2)C1 ZINC001460946529 985961724 /nfs/dbraw/zinc/96/17/24/985961724.db2.gz JJPNFOZRCLKODH-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN CC(=O)OC1CN([C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001258700398 986024919 /nfs/dbraw/zinc/02/49/19/986024919.db2.gz MGQQVWVHMFRAAK-JQWIXIFHSA-N 0 1 239.359 2.449 20 0 BEADMN Nc1ccc(F)cc1-c1cncc2nc[nH]c21 ZINC001244399150 986054344 /nfs/dbraw/zinc/05/43/44/986054344.db2.gz IKRSFEZDVJQVJY-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccncc1O ZINC000097814075 986080903 /nfs/dbraw/zinc/08/09/03/986080903.db2.gz KPONPOFLQWDIGE-AOOOYVTPSA-N 0 1 234.299 2.190 20 0 BEADMN Cc1ccc(O)cc1-c1nc(F)nc2nc[nH]c21 ZINC001244446514 986097566 /nfs/dbraw/zinc/09/75/66/986097566.db2.gz XOWBODKHBDSFRN-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Cc1cnc(CNc2ccc3c[nH]nc3c2)o1 ZINC001461709630 986118405 /nfs/dbraw/zinc/11/84/05/986118405.db2.gz NTPYZHOEGOORLU-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Oc1cc(Cl)ccc1-c1cn2ncnc2cn1 ZINC001244469888 986140417 /nfs/dbraw/zinc/14/04/17/986140417.db2.gz SENFUXGBVNCTHH-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN CC1C[NH+](Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001594538145 986163963 /nfs/dbraw/zinc/16/39/63/986163963.db2.gz XZXLKPLOQUIVEH-UHFFFAOYSA-N 0 1 239.702 2.490 20 0 BEADMN Cc1ccc(-c2cc3[nH]cnc3cn2)c(CO)c1 ZINC001244485232 986178939 /nfs/dbraw/zinc/17/89/39/986178939.db2.gz OYCOAZCQKVLAFK-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Fc1ccc(/C=C\CNCc2cnccn2)cc1 ZINC001461820409 986183031 /nfs/dbraw/zinc/18/30/31/986183031.db2.gz NFNLSWSCTXLHDY-UPHRSURJSA-N 0 1 243.285 2.419 20 0 BEADMN OCc1c(F)cccc1-c1nccc2[nH]cnc21 ZINC001244560061 986246236 /nfs/dbraw/zinc/24/62/36/986246236.db2.gz YKWDCFFKTWBLMW-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1c(F)cccc1-c1[nH]ccc2ncnc1-2 ZINC001244560061 986246249 /nfs/dbraw/zinc/24/62/49/986246249.db2.gz YKWDCFFKTWBLMW-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1cc(CO)ccc1-c1cc2[nH]cnc2cn1 ZINC001244580499 986261534 /nfs/dbraw/zinc/26/15/34/986261534.db2.gz ZPWHHUWCBUJCNZ-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncn(C)n1 ZINC001462090260 986274495 /nfs/dbraw/zinc/27/44/95/986274495.db2.gz FRFYSQKTBOHRNQ-RHYQMDGZSA-N 0 1 234.347 2.044 20 0 BEADMN CC[C@@H](CO)NCc1cncc(Cl)c1Cl ZINC001462111471 986284456 /nfs/dbraw/zinc/28/44/56/986284456.db2.gz KWOPEJWCVQONGV-QMMMGPOBSA-N 0 1 249.141 2.249 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCCC(C)C ZINC001462178018 986302214 /nfs/dbraw/zinc/30/22/14/986302214.db2.gz SRLYGIYHNVDCMC-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CN(C/C=C/c1cccc(F)c1)Cc1nnc[nH]1 ZINC001462180736 986307535 /nfs/dbraw/zinc/30/75/35/986307535.db2.gz YWQBSZXYESOKPR-HWKANZROSA-N 0 1 246.289 2.089 20 0 BEADMN Nc1ncccc1CN1CC2(C1)CCCC2 ZINC001462206606 986313837 /nfs/dbraw/zinc/31/38/37/986313837.db2.gz JNNRKCBFMROLTD-UHFFFAOYSA-N 0 1 217.316 2.040 20 0 BEADMN CO[C@@H]1CCN(Cc2ncccc2F)C[C@H]1C ZINC001462253634 986320627 /nfs/dbraw/zinc/32/06/27/986320627.db2.gz CZYAKOCIQAKKFN-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1ncccc1F ZINC001462248896 986323049 /nfs/dbraw/zinc/32/30/49/986323049.db2.gz NGXUSKCZSSDFDI-VIFPVBQESA-N 0 1 208.280 2.451 20 0 BEADMN C[C@@H](CF)NCc1ccc(Br)nc1 ZINC001462286421 986342257 /nfs/dbraw/zinc/34/22/57/986342257.db2.gz QVAWXIBWPQDYOI-ZETCQYMHSA-N 0 1 247.111 2.292 20 0 BEADMN OC1(CCCNCc2ncccc2F)CCC1 ZINC001462355750 986360375 /nfs/dbraw/zinc/36/03/75/986360375.db2.gz JKDIPMUSJJAINV-UHFFFAOYSA-N 0 1 238.306 2.006 20 0 BEADMN COc1ncc(-c2cccc3c[nH+]cn32)cc1O ZINC001244845623 986392378 /nfs/dbraw/zinc/39/23/78/986392378.db2.gz JVCBWLOXHFDUNF-UHFFFAOYSA-N 0 1 241.250 2.111 20 0 BEADMN Cc1cc(Cl)ncc1-c1cc2c(nn1)CNC2 ZINC001244913546 986460041 /nfs/dbraw/zinc/46/00/41/986460041.db2.gz ONCFOAXRIFHFBB-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN CC(C)CCNC(=O)c1cc(F)cc(F)c1O ZINC001463653045 986563541 /nfs/dbraw/zinc/56/35/41/986563541.db2.gz JUCFXTJTWNWTCI-UHFFFAOYSA-N 0 1 243.253 2.446 20 0 BEADMN COc1c(O)cccc1-c1cc(N)ccn1 ZINC001244984385 986578459 /nfs/dbraw/zinc/57/84/59/986578459.db2.gz JHUQKLSBKLEUDU-UHFFFAOYSA-N 0 1 216.240 2.045 20 0 BEADMN COc1c(O)cccc1-c1cc(N)c(C)cn1 ZINC001244989058 986582536 /nfs/dbraw/zinc/58/25/36/986582536.db2.gz CIUOPRBYQCSZIK-UHFFFAOYSA-N 0 1 230.267 2.353 20 0 BEADMN C[C@H]1CC[C@H](NCc2ccon2)CS1 ZINC000689414899 986587928 /nfs/dbraw/zinc/58/79/28/986587928.db2.gz XQCWXIYBFFPBFM-WPRPVWTQSA-N 0 1 212.318 2.048 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2ccon2)CS1 ZINC000689414896 986592638 /nfs/dbraw/zinc/59/26/38/986592638.db2.gz XQCWXIYBFFPBFM-PSASIEDQSA-N 0 1 212.318 2.048 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CC[C@H](C)SC2)[nH]1 ZINC000689430805 986602861 /nfs/dbraw/zinc/60/28/61/986602861.db2.gz FTXFAUIXTWRUEL-OYNCUSHFSA-N 0 1 240.376 2.048 20 0 BEADMN c1coc(CN(C2CC2)[C@H]2CCCOC2)c1 ZINC001254385616 986609134 /nfs/dbraw/zinc/60/91/34/986609134.db2.gz HHFBFBLOZRSOKB-LBPRGKRZSA-N 0 1 221.300 2.423 20 0 BEADMN COc1cnc(F)c(-c2cc3nc[nH]c3cn2)c1 ZINC001245061695 986621921 /nfs/dbraw/zinc/62/19/21/986621921.db2.gz TTXSPVNVJAEEDR-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN c1ccc2c(c1)CCC(N1CCO[C@@H]3C[C@@H]31)CC2 ZINC001254463466 986644628 /nfs/dbraw/zinc/64/46/28/986644628.db2.gz QVMJMKGNQCPPNA-JKSUJKDBSA-N 0 1 243.350 2.407 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC001466088571 986772037 /nfs/dbraw/zinc/77/20/37/986772037.db2.gz GTOOPUCEGOMQAU-GHMZBOCLSA-N 0 1 249.358 2.155 20 0 BEADMN F[C@H]1CN(Cc2[nH]nc3ccccc32)C[C@@H]2C[C@@H]21 ZINC001137344963 986808150 /nfs/dbraw/zinc/80/81/50/986808150.db2.gz LBGXXURCTJGCOF-DLOVCJGASA-N 0 1 245.301 2.353 20 0 BEADMN CCCOC1CN(Cc2[nH]nc3ccccc32)C1 ZINC001137348690 986815192 /nfs/dbraw/zinc/81/51/92/986815192.db2.gz KBLRIQQHAKIEGJ-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CC(C)(C)c1ccc(CN2CC(C3COC3)C2)[nH]1 ZINC001137370395 986836181 /nfs/dbraw/zinc/83/61/81/986836181.db2.gz BPEYKYCEJNXRQM-UHFFFAOYSA-N 0 1 248.370 2.390 20 0 BEADMN COc1nc(-c2cc3ccc[nH]c-3n2)ncc1F ZINC001245398032 986837899 /nfs/dbraw/zinc/83/78/99/986837899.db2.gz XMTULXHJEPJKOM-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1nc(-c2cc3ccc[nH]c-3n2)ncc1F ZINC001245397406 986838445 /nfs/dbraw/zinc/83/84/45/986838445.db2.gz MREQCZOEJCDSNC-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCOc1ccnc(-c2cc3ccc[nH]c-3n2)n1 ZINC001245397355 986838834 /nfs/dbraw/zinc/83/88/34/986838834.db2.gz LKNBQBNDCAVIPH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCSc1ccccc1C(=O)Nc1c[nH]nn1 ZINC001467242795 986839981 /nfs/dbraw/zinc/83/99/81/986839981.db2.gz SGGPSJJOPOGYNY-UHFFFAOYSA-N 0 1 248.311 2.169 20 0 BEADMN S=c1ccc(-c2cc3cccnc3[nH]2)n[nH]1 ZINC001245400222 986841168 /nfs/dbraw/zinc/84/11/68/986841168.db2.gz OSFBKGXVEZBSKP-UHFFFAOYSA-N 0 1 228.280 2.309 20 0 BEADMN Cc1nnc(-c2cc3ccc[nH]c-3n2)nc1C ZINC001245402479 986842916 /nfs/dbraw/zinc/84/29/16/986842916.db2.gz XYSDPFLIKHDUKD-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2cc(F)ccc21 ZINC001467498561 986851748 /nfs/dbraw/zinc/85/17/48/986851748.db2.gz ZRCCPHHLDVMWHC-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN F[C@H]1CCN(Cc2c[nH]c3ncccc23)C1 ZINC001137397308 986877468 /nfs/dbraw/zinc/87/74/68/986877468.db2.gz HRNHUKOXCODJNM-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ncccc23)C[C@@H]1F ZINC001137398201 986878567 /nfs/dbraw/zinc/87/85/67/986878567.db2.gz YSGFWIYWINWUAV-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN Cc1cccc2c1[C@@H](N[C@H]1CCSC1)C(=O)N2 ZINC001255269108 986879841 /nfs/dbraw/zinc/87/98/41/986879841.db2.gz YWPHEQDIMSTAEY-JOYOIKCWSA-N 0 1 248.351 2.083 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1c[nH]c2ncccc12 ZINC001137407606 986883187 /nfs/dbraw/zinc/88/31/87/986883187.db2.gz YGVGGCWCFOOYSU-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN FC(F)C1CN(Cc2c[nH]c3ncccc23)C1 ZINC001137407482 986883278 /nfs/dbraw/zinc/88/32/78/986883278.db2.gz PWDJOYUGJCTHBB-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN Nc1ncc(-c2cccn3cncc23)cc1F ZINC001245519716 986896598 /nfs/dbraw/zinc/89/65/98/986896598.db2.gz NNWPOHICHMFSFI-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]2C)c(OC)c1 ZINC001137449435 986905790 /nfs/dbraw/zinc/90/57/90/986905790.db2.gz WSXMJVWHRHXTEW-SNVBAGLBSA-N 0 1 249.310 2.076 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1CC(C)(C)C ZINC000713255505 986966805 /nfs/dbraw/zinc/96/68/05/986966805.db2.gz LHWBOAMAIJWUIU-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN c1cc2cccc(-c3ncnc4c3CNC4)c2o1 ZINC001245612569 986995099 /nfs/dbraw/zinc/99/50/99/986995099.db2.gz NIVVMNMMYGVQDB-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN Oc1cccc(F)c1-c1cnc2cc[nH]c2n1 ZINC001245650955 987014914 /nfs/dbraw/zinc/01/49/14/987014914.db2.gz IRNXTVRLOZBRGP-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cccc(F)c1-c1ncnc2c1CCC2 ZINC001245651729 987016685 /nfs/dbraw/zinc/01/66/85/987016685.db2.gz GRSRBVBPUKCHIK-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN COc1ncnc(-c2c(O)cccc2F)c1C ZINC001245651749 987018789 /nfs/dbraw/zinc/01/87/89/987018789.db2.gz GZGPRRRHQMCCIC-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN COC(=O)c1cccc(-c2c(O)cccc2F)n1 ZINC001245651872 987021567 /nfs/dbraw/zinc/02/15/67/987021567.db2.gz JYJLLDOVTZIWEA-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN CCOc1cc(-c2c(O)cccc2F)ncn1 ZINC001245653882 987026563 /nfs/dbraw/zinc/02/65/63/987026563.db2.gz PIQKMUMTDXLCPR-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN C[C@H](CC(F)(F)F)N1CC2(C1)CCOC2 ZINC001255646251 987042926 /nfs/dbraw/zinc/04/29/26/987042926.db2.gz MTMMUGDACXEYQC-MRVPVSSYSA-N 0 1 223.238 2.050 20 0 BEADMN c1ncn2cc(-c3ccc4nncn4c3)ccc12 ZINC001245660040 987051159 /nfs/dbraw/zinc/05/11/59/987051159.db2.gz MXGKGDOGHAPAQC-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN c1cc2c(ncnc2-c2ccc3cncn3c2)[nH]1 ZINC001245893521 987099708 /nfs/dbraw/zinc/09/97/08/987099708.db2.gz CDRJGZGYVCBFGI-UHFFFAOYSA-N 0 1 235.250 2.224 20 0 BEADMN COc1nnc(-c2ccc3cncn3c2)cc1C ZINC001245893873 987104025 /nfs/dbraw/zinc/10/40/25/987104025.db2.gz DEIPMOFMGJSWQE-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN Cc1cncnc1-c1ccc2cncn2c1 ZINC001245894450 987106437 /nfs/dbraw/zinc/10/64/37/987106437.db2.gz IVRFLTDXWDRZLQ-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN c1nc2cccc(-c3ccc4cncn4c3)n2n1 ZINC001245895712 987107281 /nfs/dbraw/zinc/10/72/81/987107281.db2.gz AECDETQLLRKKIE-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCOc1ccnc(-c2ccc3cncn3c2)n1 ZINC001245895625 987112626 /nfs/dbraw/zinc/11/26/26/987112626.db2.gz DIQOOUSONLAEFR-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN CCc1ncnc(-c2ccc3cncn3c2)c1F ZINC001245894787 987113428 /nfs/dbraw/zinc/11/34/28/987113428.db2.gz MDMDBSLOFYFIFL-UHFFFAOYSA-N 0 1 242.257 2.493 20 0 BEADMN Cc1cnc(C)c(-c2ccc3cncn3c2)n1 ZINC001245895330 987114089 /nfs/dbraw/zinc/11/40/89/987114089.db2.gz VIVAQOOIOXWBMQ-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN CCC(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001594695549 987115720 /nfs/dbraw/zinc/11/57/20/987115720.db2.gz HPPONWZIPDHSQN-CYBMUJFWSA-N 0 1 249.310 2.113 20 0 BEADMN Cc1ncncc1-c1ccc2cncn2c1 ZINC001245896428 987122880 /nfs/dbraw/zinc/12/28/80/987122880.db2.gz OSUBJCGTFFGNAY-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)c(=O)n(C)c1 ZINC001245899464 987128392 /nfs/dbraw/zinc/12/83/92/987128392.db2.gz HXUDNDYXYDRTFT-UHFFFAOYSA-N 0 1 239.278 2.008 20 0 BEADMN COc1c(C)ncnc1-c1ccc2cncn2c1 ZINC001245898445 987128454 /nfs/dbraw/zinc/12/84/54/987128454.db2.gz SZDAKDIQYKQKER-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN CC(C)c1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001245917333 987150643 /nfs/dbraw/zinc/15/06/43/987150643.db2.gz JPFSBUUAYJJMPB-UHFFFAOYSA-N 0 1 217.272 2.155 20 0 BEADMN COCCN1N=C(c2ccc(F)cc2)CC1=O ZINC001245917298 987151972 /nfs/dbraw/zinc/15/19/72/987151972.db2.gz GHZOHYCRDCOAPZ-UHFFFAOYSA-N 0 1 236.246 2.041 20 0 BEADMN CC[C@@H](O)CN1N=C(c2ccc(C)cc2)CC1=O ZINC001245918746 987159466 /nfs/dbraw/zinc/15/94/66/987159466.db2.gz ADJNBEWWZIQHJV-GFCCVEGCSA-N 0 1 246.310 2.335 20 0 BEADMN CCCCc1cc(=O)n(-c2ccc(F)nc2)[nH]1 ZINC001245925945 987176520 /nfs/dbraw/zinc/17/65/20/987176520.db2.gz AYHRNXOONKBOPI-UHFFFAOYSA-N 0 1 235.262 2.455 20 0 BEADMN CC(C)(C)c1cc(=O)n(CC2CCOCC2)[nH]1 ZINC001245929262 987188607 /nfs/dbraw/zinc/18/86/07/987188607.db2.gz HFMIMONFEVQPIQ-UHFFFAOYSA-N 0 1 238.331 2.313 20 0 BEADMN O=C(CC1CC1)Nc1ccc2cncn2c1 ZINC001472133423 987190356 /nfs/dbraw/zinc/19/03/56/987190356.db2.gz AXINGKBTNVGGBY-UHFFFAOYSA-N 0 1 215.256 2.073 20 0 BEADMN COc1ccc(CCn2[nH]c(C)cc2=O)cc1 ZINC001245928302 987190715 /nfs/dbraw/zinc/19/07/15/987190715.db2.gz SIHNXMJDAPSFDF-UHFFFAOYSA-N 0 1 232.283 2.148 20 0 BEADMN O=c1cc(CCC2CCCC2)[nH]n1CCCO ZINC001245932629 987200999 /nfs/dbraw/zinc/20/09/99/987200999.db2.gz UMXHRPNSTMHBIL-UHFFFAOYSA-N 0 1 238.331 2.094 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1-c1cccnc1 ZINC001245937880 987206591 /nfs/dbraw/zinc/20/65/91/987206591.db2.gz UUQXPDHHYBRHEC-UHFFFAOYSA-N 0 1 229.283 2.316 20 0 BEADMN COCCc1cc(=O)n([C@H]2CCC[C@@H]2C)[nH]1 ZINC001245939954 987213567 /nfs/dbraw/zinc/21/35/67/987213567.db2.gz PPWRAAOHYKCILE-ONGXEEELSA-N 0 1 224.304 2.139 20 0 BEADMN Nc1ccccc1C1=NN(C2CC2)C(=O)C1 ZINC001245946163 987225664 /nfs/dbraw/zinc/22/56/64/987225664.db2.gz AXIQZNFXDFQDFQ-UHFFFAOYSA-N 0 1 215.256 2.173 20 0 BEADMN CCCCC(=O)NCCCCc1ccnc(N)c1 ZINC001472458840 987227066 /nfs/dbraw/zinc/22/70/66/987227066.db2.gz OWGJIWLBUXSAMH-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN Cc1csc(-n2[nH]c(CC3CC3)cc2=O)n1 ZINC001245952584 987235662 /nfs/dbraw/zinc/23/56/62/987235662.db2.gz CPLZBIOUFSILRY-UHFFFAOYSA-N 0 1 235.312 2.295 20 0 BEADMN Cc1ccncc1-n1[nH]c(CC2CC2)cc1=O ZINC001245954424 987240196 /nfs/dbraw/zinc/24/01/96/987240196.db2.gz ZYXHNSJRRDRICN-UHFFFAOYSA-N 0 1 229.283 2.234 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H]2CC3CCC2CC3)nn1 ZINC000691726070 987288223 /nfs/dbraw/zinc/28/82/23/987288223.db2.gz ZNPIAEWBZNKUAP-XVSSEFHLSA-N 0 1 248.374 2.385 20 0 BEADMN c1nc2c(ncnc2N[C@@H]2CCCC3(CC3)C2)[nH]1 ZINC000695709079 987337811 /nfs/dbraw/zinc/33/78/11/987337811.db2.gz HRBCAPIANAWJGS-SECBINFHSA-N 0 1 243.314 2.488 20 0 BEADMN Cc1cccc(C(=O)Nc2nc(C(C)C)n[nH]2)c1 ZINC001115922202 987412804 /nfs/dbraw/zinc/41/28/04/987412804.db2.gz QXFDQFHAQHDERF-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1cccc(C(=O)Nc2n[nH]c(C(C)C)n2)c1 ZINC001115922202 987412816 /nfs/dbraw/zinc/41/28/16/987412816.db2.gz QXFDQFHAQHDERF-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC(C)SCC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001115980683 987424781 /nfs/dbraw/zinc/42/47/81/987424781.db2.gz JYRSCFHSPFUYCK-UHFFFAOYSA-N 0 1 242.348 2.008 20 0 BEADMN CC(C)SCC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001115980683 987424791 /nfs/dbraw/zinc/42/47/91/987424791.db2.gz JYRSCFHSPFUYCK-UHFFFAOYSA-N 0 1 242.348 2.008 20 0 BEADMN CCCNC(=O)[C@@H](C)N1CC(C)(C)C1(C)C ZINC001116211638 987474569 /nfs/dbraw/zinc/47/45/69/987474569.db2.gz OEGMPIOSMOZXGF-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN CCCCN(CC)CN1C(=O)CC1(C)C ZINC001116202168 987475303 /nfs/dbraw/zinc/47/53/03/987475303.db2.gz FQNUCBQRHDTDCD-UHFFFAOYSA-N 0 1 212.337 2.077 20 0 BEADMN Cc1cc(CNc2ccc(N(C)C)cc2)n[nH]1 ZINC001116319671 987517511 /nfs/dbraw/zinc/51/75/11/987517511.db2.gz UTLHBSVWGGAZQD-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@@H](C2CCC2)CC1 ZINC001473742328 987545785 /nfs/dbraw/zinc/54/57/85/987545785.db2.gz OOLGRXTYXVIWSI-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN Cc1cc(CNc2cnn(C(C)(C)C)c2)n[nH]1 ZINC001116402192 987554110 /nfs/dbraw/zinc/55/41/10/987554110.db2.gz NESUSNXYACKSRO-UHFFFAOYSA-N 0 1 233.319 2.282 20 0 BEADMN C=C/C=C/CCN1CCN(CC(C)(F)F)CC1 ZINC001473828825 987575746 /nfs/dbraw/zinc/57/57/46/987575746.db2.gz GPUJFRVFHIXHLB-SNAWJCMRSA-N 0 1 244.329 2.392 20 0 BEADMN COCc1noc([C@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC001473855430 987577982 /nfs/dbraw/zinc/57/79/82/987577982.db2.gz UICDJWPYXPSLEJ-IUCAKERBSA-N 0 1 239.319 2.055 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@@H](C2CCCC2)C1 ZINC001473886508 987603698 /nfs/dbraw/zinc/60/36/98/987603698.db2.gz CHTBJMQMGOVVSU-OLZOCXBDSA-N 0 1 237.343 2.204 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2ncccc2C)o1 ZINC001116530610 987619756 /nfs/dbraw/zinc/61/97/56/987619756.db2.gz UBKDBMFLGGFBIQ-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN Cn1ccnc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC001474030067 987633696 /nfs/dbraw/zinc/63/36/96/987633696.db2.gz SGQSHWKDEPRZMR-QWHCGFSZSA-N 0 1 233.359 2.479 20 0 BEADMN Cc1nc2cc(NCc3c[nH]cn3)ccc2n1C ZINC001474052221 987636811 /nfs/dbraw/zinc/63/68/11/987636811.db2.gz ZRWVICQSTQYMTR-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CC1(C)C[C@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116590955 987637145 /nfs/dbraw/zinc/63/71/45/987637145.db2.gz LSAYETADXQUHAG-MNOVXSKESA-N 0 1 247.342 2.392 20 0 BEADMN CCCCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116612777 987644806 /nfs/dbraw/zinc/64/48/06/987644806.db2.gz UFPWZUVRSYKZPT-LLVKDONJSA-N 0 1 235.331 2.221 20 0 BEADMN CCC[C@H](CC)NC1(C(F)(F)F)CNC1 ZINC001246255256 987653255 /nfs/dbraw/zinc/65/32/55/987653255.db2.gz UWMGWGMZIHBMHK-QMMMGPOBSA-N 0 1 224.270 2.059 20 0 BEADMN C[C@H]1CCC[C@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246254971 987651467 /nfs/dbraw/zinc/65/14/67/987651467.db2.gz TXFSCKGYKUMFPR-IUCAKERBSA-N 0 1 236.281 2.059 20 0 BEADMN Cc1c(Cl)cccc1CNCc1nnc[nH]1 ZINC001474307019 987684920 /nfs/dbraw/zinc/68/49/20/987684920.db2.gz YZDUHACQOMVIDH-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN COC(=O)[C@@]1(F)CCN(CCCCC(C)C)C1 ZINC001474326798 987690583 /nfs/dbraw/zinc/69/05/83/987690583.db2.gz MEMNZWCHXNDCOW-CYBMUJFWSA-N 0 1 245.338 2.400 20 0 BEADMN CC[C@H](C)CC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001116745075 987692349 /nfs/dbraw/zinc/69/23/49/987692349.db2.gz AKFOIHPTFLPAQF-QMMMGPOBSA-N 0 1 224.308 2.303 20 0 BEADMN CC[C@H](C)CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001116745075 987692350 /nfs/dbraw/zinc/69/23/50/987692350.db2.gz AKFOIHPTFLPAQF-QMMMGPOBSA-N 0 1 224.308 2.303 20 0 BEADMN CCOC[C@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001474373398 987705876 /nfs/dbraw/zinc/70/58/76/987705876.db2.gz IQAAKTSOVXBPDJ-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)c1ocnc1CN[C@H](CO)C(C)(C)C ZINC001116791494 987712773 /nfs/dbraw/zinc/71/27/73/987712773.db2.gz LKXGGSGIUISHEW-LLVKDONJSA-N 0 1 240.347 2.295 20 0 BEADMN CCCn1cncc1CN1CCC=C(C)C1 ZINC001474479555 987732639 /nfs/dbraw/zinc/73/26/39/987732639.db2.gz RRDGRFDHZVVMFA-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC(C)(C)C2)[nH]1 ZINC001116862057 987736902 /nfs/dbraw/zinc/73/69/02/987736902.db2.gz FKURQXIDXGGGFB-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN CC[C@H](C)c1nnc([C@H](C)NC[C@@H](C)OC)[nH]1 ZINC001474493897 987738299 /nfs/dbraw/zinc/73/82/99/987738299.db2.gz DJDNBTSKPJCXEO-AEJSXWLSSA-N 0 1 240.351 2.004 20 0 BEADMN c1cn2cc(CN3CC4(CCC4)C3)sc2n1 ZINC001474569237 987764715 /nfs/dbraw/zinc/76/47/15/987764715.db2.gz YDWSCUMIQPYZHZ-UHFFFAOYSA-N 0 1 233.340 2.382 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1ncccc1F ZINC001474594313 987773716 /nfs/dbraw/zinc/77/37/16/987773716.db2.gz GGWATXYOPPUJNG-QWRGUYRKSA-N 0 1 240.322 2.107 20 0 BEADMN Fc1cccnc1CNC1CC2(CC2(F)F)C1 ZINC001474619314 987780477 /nfs/dbraw/zinc/78/04/77/987780477.db2.gz TYQMWQIIZCVHPW-UHFFFAOYSA-N 0 1 242.244 2.498 20 0 BEADMN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1nc(C(F)(F)F)n[n-]1 ZINC001474724356 987811248 /nfs/dbraw/zinc/81/12/48/987811248.db2.gz PUPGCWBQXZUFFT-DSYKOEDSSA-N 0 1 248.252 2.130 20 0 BEADMN CS[C@H]1CC[C@H](N(C)Cc2ccon2)C1 ZINC001117668668 987853691 /nfs/dbraw/zinc/85/36/91/987853691.db2.gz NTQBAIYUYBBTEI-QWRGUYRKSA-N 0 1 226.345 2.391 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001594960551 987893059 /nfs/dbraw/zinc/89/30/59/987893059.db2.gz HRDOWJDXZWUVCH-RKDXNWHRSA-N 0 1 240.303 2.412 20 0 BEADMN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccoc1 ZINC001321495078 987924721 /nfs/dbraw/zinc/92/47/21/987924721.db2.gz MAAXHJJNHOJFMP-GFCCVEGCSA-N 0 1 237.299 2.197 20 0 BEADMN Cc1nnc(S[C@@H]2CCCC(C)(C)C2=O)[nH]1 ZINC001117941425 987960840 /nfs/dbraw/zinc/96/08/40/987960840.db2.gz DIJOKDNQBIGDRS-MRVPVSSYSA-N 0 1 239.344 2.353 20 0 BEADMN Cc1n[nH]c(S[C@@H]2CCCC(C)(C)C2=O)n1 ZINC001117941425 987960849 /nfs/dbraw/zinc/96/08/49/987960849.db2.gz DIJOKDNQBIGDRS-MRVPVSSYSA-N 0 1 239.344 2.353 20 0 BEADMN C[C@H](NC/C=C\C1CC1)c1ccn(C)n1 ZINC001117946076 987963003 /nfs/dbraw/zinc/96/30/03/987963003.db2.gz YOFPJQAYVLKDGO-XOULXFPDSA-N 0 1 205.305 2.037 20 0 BEADMN C[C@@H](NC/C=C/C1CC1)c1ccn(C)n1 ZINC001117946073 987963805 /nfs/dbraw/zinc/96/38/05/987963805.db2.gz YOFPJQAYVLKDGO-HMDXOVGESA-N 0 1 205.305 2.037 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)CCC(C)C)C1 ZINC001494335174 988127932 /nfs/dbraw/zinc/12/79/32/988127932.db2.gz BYORRNZMRZKXFI-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C(C)=O)cc1 ZINC001118259451 988157151 /nfs/dbraw/zinc/15/71/51/988157151.db2.gz LOTDQXHRBNWKFE-UHFFFAOYSA-N 0 1 249.310 2.186 20 0 BEADMN Cc1c(C(=O)N[C@H]2CC[C@@H]2C)ccc2cncn21 ZINC001322595384 988336810 /nfs/dbraw/zinc/33/68/10/988336810.db2.gz QSTONNIJDHDWJI-ZANVPECISA-N 0 1 243.310 2.171 20 0 BEADMN C/C=C(/CC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC001118458561 988361356 /nfs/dbraw/zinc/36/13/56/988361356.db2.gz FPZASKTUMCTEQN-HXOPTJOXSA-N 0 1 237.303 2.328 20 0 BEADMN Cc1cc(CNc2cccc([S@](C)=O)c2)n[nH]1 ZINC001322733940 988372521 /nfs/dbraw/zinc/37/25/21/988372521.db2.gz LDQWPQLCLJSGCV-KRWDZBQOSA-N 0 1 249.339 2.068 20 0 BEADMN CC(C)c1ocnc1CN[C@H](CO)C1CCC1 ZINC001118503106 988401085 /nfs/dbraw/zinc/40/10/85/988401085.db2.gz RMGHAZCLLADPMC-GFCCVEGCSA-N 0 1 238.331 2.049 20 0 BEADMN CCC(N)=NOCc1nc(C)sc1C ZINC001322937293 988409846 /nfs/dbraw/zinc/40/98/46/988409846.db2.gz OGDOOVMDLYCZBB-UHFFFAOYSA-N 0 1 213.306 2.168 20 0 BEADMN Cc1cccc(C(C)(C)NCc2nnc[nH]2)c1 ZINC001118557607 988436008 /nfs/dbraw/zinc/43/60/08/988436008.db2.gz HRRHBZAWGURRQZ-UHFFFAOYSA-N 0 1 230.315 2.138 20 0 BEADMN CCCN(Cc1nnc[nH]1)Cc1ccccc1 ZINC001118558132 988437192 /nfs/dbraw/zinc/43/71/92/988437192.db2.gz NEUHTRYLHFFSSS-UHFFFAOYSA-N 0 1 230.315 2.217 20 0 BEADMN CCCCCN1CC[C@@H]1CNC(=O)C(C)(C)F ZINC001323175868 988463754 /nfs/dbraw/zinc/46/37/54/988463754.db2.gz BLMSMGOFSYGURT-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)n[nH]1 ZINC001323320368 988498409 /nfs/dbraw/zinc/49/84/09/988498409.db2.gz AGOVROOIFUCHRM-UWVGGRQHSA-N 0 1 207.321 2.196 20 0 BEADMN C[C@@H]1CC[C@H](N2CC[C@H](N)C(F)(F)C2)C[C@@H]1C ZINC001246839883 988547570 /nfs/dbraw/zinc/54/75/70/988547570.db2.gz ZWSAGFYHCGDJNC-RHYQMDGZSA-N 0 1 246.345 2.479 20 0 BEADMN CC1(c2nc([C@@H]3CN4CCC3CC4)no2)CCC1 ZINC001323915323 988651210 /nfs/dbraw/zinc/65/12/10/988651210.db2.gz ROAMYDKGZMXQQE-LLVKDONJSA-N 0 1 247.342 2.320 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001595711794 988654821 /nfs/dbraw/zinc/65/48/21/988654821.db2.gz ACRIGVYECKGGEY-LLVKDONJSA-N 0 1 245.388 2.316 20 0 BEADMN Cc1nnc(SCCC2CCOCC2)[nH]1 ZINC001324201406 988746432 /nfs/dbraw/zinc/74/64/32/988746432.db2.gz FUXPMTNIJSXZJP-UHFFFAOYSA-N 0 1 227.333 2.022 20 0 BEADMN c1cc(C[N@H+]2CCCOCC2)n(C2CC2)c1 ZINC001324365050 988814594 /nfs/dbraw/zinc/81/45/94/988814594.db2.gz PRLGWPLNYPAMLE-UHFFFAOYSA-N 0 1 220.316 2.045 20 0 BEADMN c1cc(CN2CCCOCC2)n(C2CC2)c1 ZINC001324365050 988814599 /nfs/dbraw/zinc/81/45/99/988814599.db2.gz PRLGWPLNYPAMLE-UHFFFAOYSA-N 0 1 220.316 2.045 20 0 BEADMN Cc1cc2nc(CO)[nH]c2cc1C(F)(F)F ZINC001247014994 988841094 /nfs/dbraw/zinc/84/10/94/988841094.db2.gz OVTCXDWNDXBXKF-UHFFFAOYSA-N 0 1 230.189 2.382 20 0 BEADMN CCCCc1ccc2nc(CCO)[nH]c2c1 ZINC001247010696 988842037 /nfs/dbraw/zinc/84/20/37/988842037.db2.gz BVSLZUQKIGTBEG-UHFFFAOYSA-N 0 1 218.300 2.440 20 0 BEADMN CCCCn1c2cc(F)ccc2nc1CN ZINC001247041809 988847862 /nfs/dbraw/zinc/84/78/62/988847862.db2.gz ZHQNYKZNLNTIJG-UHFFFAOYSA-N 0 1 221.279 2.434 20 0 BEADMN Clc1ccc(CN[C@@H]2C=CCCC2)nn1 ZINC001119241918 988858567 /nfs/dbraw/zinc/85/85/67/988858567.db2.gz PEAIOBUIRAABKN-SECBINFHSA-N 0 1 223.707 2.328 20 0 BEADMN Cc1cc(C)cc(-c2noc(C3CN(C)C3)n2)c1 ZINC001247372461 988861256 /nfs/dbraw/zinc/86/12/56/988861256.db2.gz IIQNRYBLEFNYNK-UHFFFAOYSA-N 0 1 243.310 2.382 20 0 BEADMN CNCc1nc(-c2ccnc3ccccc32)no1 ZINC001247428979 988885838 /nfs/dbraw/zinc/88/58/38/988885838.db2.gz VIJYAYAQEMIUDA-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN CNCc1nc(-c2cncc3ccccc32)no1 ZINC001247431218 988886590 /nfs/dbraw/zinc/88/65/90/988886590.db2.gz DAOXKUABRRUSHZ-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN Cc1coc(C(=O)Nc2nc(C(C)C)n[nH]2)c1 ZINC001119308407 988922227 /nfs/dbraw/zinc/92/22/27/988922227.db2.gz NDIULDNCUMTXFX-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1coc(C(=O)Nc2n[nH]c(C(C)C)n2)c1 ZINC001119308407 988922236 /nfs/dbraw/zinc/92/22/36/988922236.db2.gz NDIULDNCUMTXFX-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)(C)CCC(=O)NCc1cc(N)ccn1 ZINC001119321758 988940907 /nfs/dbraw/zinc/94/09/07/988940907.db2.gz KEUBGPVENPMGEX-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(N)ccn1 ZINC001119322024 988941264 /nfs/dbraw/zinc/94/12/64/988941264.db2.gz LMLCEUKZCOOJNX-MFKMUULPSA-N 0 1 247.342 2.106 20 0 BEADMN C[C@]1(c2ccccc2)CCCN1Cc1nnc[nH]1 ZINC001119325538 988943935 /nfs/dbraw/zinc/94/39/35/988943935.db2.gz NKCNQHLNQKKNTQ-CQSZACIVSA-N 0 1 242.326 2.316 20 0 BEADMN Cc1cccc(-c2noc([C@@H]3CCN3)n2)c1F ZINC001247676515 988977969 /nfs/dbraw/zinc/97/79/69/988977969.db2.gz IBPRYGYMABBVSN-VIFPVBQESA-N 0 1 233.246 2.219 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCN3)n2)c(F)c1 ZINC001247677287 988978686 /nfs/dbraw/zinc/97/86/86/988978686.db2.gz UOQKESGNKZMTDI-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN Cc1cc(OCC[C@@H](O)C(C)C)cc(C)n1 ZINC001119344802 988988529 /nfs/dbraw/zinc/98/85/29/988988529.db2.gz VTLQFNQTEFJAKM-CYBMUJFWSA-N 0 1 223.316 2.484 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC2CCC1CC2 ZINC001324842561 988998987 /nfs/dbraw/zinc/99/89/87/988998987.db2.gz UQAKRNHFNKQBQY-UHFFFAOYSA-N 0 1 245.326 2.302 20 0 BEADMN CCc1nccc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC001119352989 988999695 /nfs/dbraw/zinc/99/96/95/988999695.db2.gz VQSLJPVGLPTVMM-SNVBAGLBSA-N 0 1 243.314 2.252 20 0 BEADMN C[C@H](CNc1nccnc1CN)c1ccccc1 ZINC001515315813 989025861 /nfs/dbraw/zinc/02/58/61/989025861.db2.gz VYAQKGCYWQDAPW-LLVKDONJSA-N 0 1 242.326 2.151 20 0 BEADMN C[C@@H]1CC[C@H](c2nc(-c3ccncc3)no2)NC1 ZINC001247817529 989027596 /nfs/dbraw/zinc/02/75/96/989027596.db2.gz IRXDUURGTDWBNB-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CCC1(C)C ZINC001515391270 989038902 /nfs/dbraw/zinc/03/89/02/989038902.db2.gz IJSXXRWWXSUWKD-MRVPVSSYSA-N 0 1 208.261 2.064 20 0 BEADMN CC(C)C(NC(=O)c1coc(CN)c1)C(C)C ZINC001515612744 989081280 /nfs/dbraw/zinc/08/12/80/989081280.db2.gz QGYDPHFJZODHHV-UHFFFAOYSA-N 0 1 238.331 2.149 20 0 BEADMN CC/C(C)=C(\C)C(=O)Nc1n[nH]c(CC)n1 ZINC001325091788 989082117 /nfs/dbraw/zinc/08/21/17/989082117.db2.gz RJZRFQGVVDPHID-BQYQJAHWSA-N 0 1 222.292 2.052 20 0 BEADMN CCC(C)=C(C)C(=O)Nc1nc(CC)n[nH]1 ZINC001325091788 989082129 /nfs/dbraw/zinc/08/21/29/989082129.db2.gz RJZRFQGVVDPHID-BQYQJAHWSA-N 0 1 222.292 2.052 20 0 BEADMN CN[C@@H](c1nc(-c2cccc(C)n2)no1)C(C)C ZINC001248205411 989083392 /nfs/dbraw/zinc/08/33/92/989083392.db2.gz GDAMHJOOOKKQHW-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN Cc1ccc(F)c(-c2noc([C@H]3CCN3)n2)c1 ZINC001248284795 989090033 /nfs/dbraw/zinc/09/00/33/989090033.db2.gz FFZJBVYFZBJEDC-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN Cc1c(F)cccc1-c1noc([C@H]2CCN2)n1 ZINC001248286015 989092386 /nfs/dbraw/zinc/09/23/86/989092386.db2.gz TXTRGRWEAQESRS-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN Fc1ccc(F)c(-c2noc([C@H]3CCN3)n2)c1 ZINC001248286009 989093224 /nfs/dbraw/zinc/09/32/24/989093224.db2.gz SYDPRBCSNLYQQR-SECBINFHSA-N 0 1 237.209 2.049 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCN3)n2)c(F)c1 ZINC001248286222 989093983 /nfs/dbraw/zinc/09/39/83/989093983.db2.gz UOQKESGNKZMTDI-SNVBAGLBSA-N 0 1 233.246 2.219 20 0 BEADMN Cc1ccnc(N)c1CN1CC2(C1)CCCC2 ZINC001119512656 989118353 /nfs/dbraw/zinc/11/83/53/989118353.db2.gz UXZVAXXOIUDFGS-UHFFFAOYSA-N 0 1 231.343 2.348 20 0 BEADMN COc1ccc(CN(C)C)c(OC)c1Cl ZINC001248795977 989145313 /nfs/dbraw/zinc/14/53/13/989145313.db2.gz BGMXMFVSNGQKIG-UHFFFAOYSA-N 0 1 229.707 2.419 20 0 BEADMN Cc1nc(C)n(C[C@H](O)CC(F)(F)F)c1C ZINC001119560307 989161984 /nfs/dbraw/zinc/16/19/84/989161984.db2.gz PDKYCKSLXCJSSM-SECBINFHSA-N 0 1 236.237 2.122 20 0 BEADMN CN1CCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248814323 989174153 /nfs/dbraw/zinc/17/41/53/989174153.db2.gz INAVHRWXLWJEIE-UHFFFAOYSA-N 0 1 247.317 2.054 20 0 BEADMN CC(=O)C1CCN(Cc2ccc3n2CCC3)CC1 ZINC001248823674 989184744 /nfs/dbraw/zinc/18/47/44/989184744.db2.gz HVJXRVKVPKKXLP-UHFFFAOYSA-N 0 1 246.354 2.235 20 0 BEADMN Cc1ccc2nc(CN3CC=CC3)[nH]c2c1 ZINC001248839228 989186577 /nfs/dbraw/zinc/18/65/77/989186577.db2.gz AFWFFFHFSZAWRG-UHFFFAOYSA-N 0 1 213.284 2.243 20 0 BEADMN CCC1CN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001325427291 989186839 /nfs/dbraw/zinc/18/68/39/989186839.db2.gz KCZGIQTZQNZSFM-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN Cc1ccc2nc(CN3CCCC(=O)C3)[nH]c2c1 ZINC001248842328 989192229 /nfs/dbraw/zinc/19/22/29/989192229.db2.gz PQPPBEUYKJBADA-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN COC[C@@H]1CCN1Cc1nc2ccc(C)cc2[nH]1 ZINC001248844046 989192789 /nfs/dbraw/zinc/19/27/89/989192789.db2.gz KSZCBZZCKITGRX-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CC[C@H](C)CC1 ZINC001248860477 989203234 /nfs/dbraw/zinc/20/32/34/989203234.db2.gz CCQRSTRSAULXSM-HOMQSWHASA-N 0 1 223.320 2.389 20 0 BEADMN Cc1cc(C)nc(CN2CCC[C@@H]2C)n1 ZINC001248933058 989221149 /nfs/dbraw/zinc/22/11/49/989221149.db2.gz MZFXSMKXSICCRF-NSHDSACASA-N 0 1 205.305 2.078 20 0 BEADMN Cc1cc(C)nc(CN(C)CC2CCC2)n1 ZINC001248964555 989233839 /nfs/dbraw/zinc/23/38/39/989233839.db2.gz BCPXVSXZPVQSDA-UHFFFAOYSA-N 0 1 219.332 2.325 20 0 BEADMN CC[C@](C)(N)c1nc(-c2cnc(C)c(C)c2)no1 ZINC001249282114 989268785 /nfs/dbraw/zinc/26/87/85/989268785.db2.gz LHJHLZNOSRDFCY-ZDUSSCGKSA-N 0 1 246.314 2.332 20 0 BEADMN CCN(Cc1cccc2c1CCC2)C1COC1 ZINC001249458665 989281510 /nfs/dbraw/zinc/28/15/10/989281510.db2.gz JCVJBYKDPJLHIQ-UHFFFAOYSA-N 0 1 231.339 2.396 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2(CCF)CC2)n1 ZINC001325888125 989298421 /nfs/dbraw/zinc/29/84/21/989298421.db2.gz BDORBALGKVDHJJ-UHFFFAOYSA-N 0 1 240.282 2.006 20 0 BEADMN CC(C)c1nc(NC(=O)C2(CCF)CC2)n[nH]1 ZINC001325888125 989298436 /nfs/dbraw/zinc/29/84/36/989298436.db2.gz BDORBALGKVDHJJ-UHFFFAOYSA-N 0 1 240.282 2.006 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)ns1 ZINC001249571755 989313547 /nfs/dbraw/zinc/31/35/47/989313547.db2.gz WAXIWGHKGZYNQO-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2CCC[C@H](O)[C@@H](C)C2)ns1 ZINC001249571755 989313555 /nfs/dbraw/zinc/31/35/55/989313555.db2.gz WAXIWGHKGZYNQO-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN CO[C@H]1CCCN(Cc2cc(C)sn2)CC1 ZINC001249588244 989315297 /nfs/dbraw/zinc/31/52/97/989315297.db2.gz DOVIBUZBCCBFHG-LBPRGKRZSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCCCCF ZINC001518803791 989338809 /nfs/dbraw/zinc/33/88/09/989338809.db2.gz QDHJGFVQXHRZLO-UHFFFAOYSA-N 0 1 228.267 2.405 20 0 BEADMN Cc1nc(C)c(CN2CCOCC3(CCC3)C2)[nH]1 ZINC001119734001 989376801 /nfs/dbraw/zinc/37/68/01/989376801.db2.gz ASZGUUUJNWQLOQ-UHFFFAOYSA-N 0 1 249.358 2.029 20 0 BEADMN C[C@@H](c1ncccn1)N1CCSC[C@@H](C)C1 ZINC001119849939 989438373 /nfs/dbraw/zinc/43/83/73/989438373.db2.gz MWKNAGDGMMLHOW-QWRGUYRKSA-N 0 1 237.372 2.223 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1ccc(C(C)=O)cc1 ZINC001119880845 989451008 /nfs/dbraw/zinc/45/10/08/989451008.db2.gz LNRAYHXSUUWMBV-CABCVRRESA-N 0 1 247.338 2.498 20 0 BEADMN COCCOc1ccc(CNCC=C(C)C)o1 ZINC001119959756 989511548 /nfs/dbraw/zinc/51/15/48/989511548.db2.gz WPXIFUDXRCNTRJ-UHFFFAOYSA-N 0 1 239.315 2.361 20 0 BEADMN CC(C)CCCCN1CCOC[C@]12CCOC2 ZINC001119968124 989519727 /nfs/dbraw/zinc/51/97/27/989519727.db2.gz SYRPNPPXNIUGGB-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CC[C@H](C)CNCc1nc(C(F)F)no1 ZINC001119975496 989532423 /nfs/dbraw/zinc/53/24/23/989532423.db2.gz WMWJQJAHTSWCLH-LURJTMIESA-N 0 1 219.235 2.143 20 0 BEADMN CCc1cccc(CNCC(=O)NCC(C)C)c1 ZINC001326514178 989593383 /nfs/dbraw/zinc/59/33/83/989593383.db2.gz BCLBWVWQEKAGMD-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OC(C)C)C2)[nH]n1 ZINC001326519055 989597009 /nfs/dbraw/zinc/59/70/09/989597009.db2.gz MFKSMCICJFBVOC-CYBMUJFWSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1cc(CN2CCC[C@@H](OC(C)C)C2)n[nH]1 ZINC001326519055 989597016 /nfs/dbraw/zinc/59/70/16/989597016.db2.gz MFKSMCICJFBVOC-CYBMUJFWSA-N 0 1 237.347 2.108 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001120362732 989641242 /nfs/dbraw/zinc/64/12/42/989641242.db2.gz MIDLVMNJKJSDFD-ZDEQEGDKSA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001120362728 989642243 /nfs/dbraw/zinc/64/22/43/989642243.db2.gz MIDLVMNJKJSDFD-FVCCEPFGSA-N 0 1 237.343 2.219 20 0 BEADMN CC1(C)CC=C(C(=O)NCCN2CC=CC2)CC1 ZINC001326692767 989655501 /nfs/dbraw/zinc/65/55/01/989655501.db2.gz DEPSEKMNVQHKSU-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN CN(CC1CCC1)C(=O)[C@H]1CCN1C(C)(C)C ZINC001120676690 989827693 /nfs/dbraw/zinc/82/76/93/989827693.db2.gz ZJKXWSJCXSOLLN-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CN(CC1CCC1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC001120676691 989828176 /nfs/dbraw/zinc/82/81/76/989828176.db2.gz ZJKXWSJCXSOLLN-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@H](C)C(C)C ZINC001120805664 989889300 /nfs/dbraw/zinc/88/93/00/989889300.db2.gz KHMFQIFEACYIOV-SECBINFHSA-N 0 1 246.314 2.497 20 0 BEADMN Cc1cc([C@@H](C)Nc2nccnc2CN)c(C)o1 ZINC001120810213 989895313 /nfs/dbraw/zinc/89/53/13/989895313.db2.gz RHCWMBDLXKEQJC-SECBINFHSA-N 0 1 246.314 2.318 20 0 BEADMN CCN1CCN(c2cc(F)cc(C)n2)[C@@H](C)C1 ZINC001120849338 989920840 /nfs/dbraw/zinc/92/08/40/989920840.db2.gz NLNQWSHAOLYLPQ-NSHDSACASA-N 0 1 237.322 2.060 20 0 BEADMN Cc1cc(F)cc(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001120914452 989965611 /nfs/dbraw/zinc/96/56/11/989965611.db2.gz QAKRQVITKJCHPL-GHMZBOCLSA-N 0 1 237.322 2.058 20 0 BEADMN C/C=C/C=C\C(=O)NCc1ccc2cncn2c1 ZINC001524860674 990018911 /nfs/dbraw/zinc/01/89/11/990018911.db2.gz AQDHOYDIWZOEKH-IAROGAJJSA-N 0 1 241.294 2.083 20 0 BEADMN CC1=C(C)C[C@](C)(C(=O)OCc2c[nH]nn2)CC1 ZINC001525526815 990058175 /nfs/dbraw/zinc/05/81/75/990058175.db2.gz JQUAYYGDZRHIAG-CYBMUJFWSA-N 0 1 249.314 2.375 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC001525873060 990082519 /nfs/dbraw/zinc/08/25/19/990082519.db2.gz KPVXLLGBNPNZEM-PSASIEDQSA-N 0 1 235.287 2.074 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604473999 990087459 /nfs/dbraw/zinc/08/74/59/990087459.db2.gz PFQIHSOYDXBBSV-GMXVVIOVSA-N 0 1 248.326 2.185 20 0 BEADMN CN(Cc1c(N)cccc1F)[C@@H]1CCCOC1 ZINC000401379693 990091144 /nfs/dbraw/zinc/09/11/44/990091144.db2.gz IISUTABHXVMRJV-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001526367118 990130690 /nfs/dbraw/zinc/13/06/90/990130690.db2.gz JKVZQNGFCPBZBQ-CLLJXQQHSA-N 0 1 237.343 2.062 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)c1cccc(F)c1O ZINC001529650962 990360286 /nfs/dbraw/zinc/36/02/86/990360286.db2.gz JRVIOBBELPGDCF-ZDUSSCGKSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1nocc1NC(=O)c1cccc(F)c1O ZINC001530369488 990372149 /nfs/dbraw/zinc/37/21/49/990372149.db2.gz FCPMRQSMSCQNJG-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN CCC(CC)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001122406056 990376551 /nfs/dbraw/zinc/37/65/51/990376551.db2.gz ASOJOVDAGHXDSS-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CCC(CC)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001122406056 990376556 /nfs/dbraw/zinc/37/65/56/990376556.db2.gz ASOJOVDAGHXDSS-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN O=C(Nc1ccns1)c1cccc(F)c1O ZINC001532197697 990406654 /nfs/dbraw/zinc/40/66/54/990406654.db2.gz MDNSWJYFINFYDC-UHFFFAOYSA-N 0 1 238.243 2.240 20 0 BEADMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)C(F)F ZINC001534183856 990444072 /nfs/dbraw/zinc/44/40/72/990444072.db2.gz IZIHHTMPNYPBFB-UHFFFAOYSA-N 0 1 245.616 2.420 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001123052701 990498193 /nfs/dbraw/zinc/49/81/93/990498193.db2.gz LCBTVGMSEZTDMS-DDFAGTSDSA-N 0 1 234.299 2.311 20 0 BEADMN C[C@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001538713047 990541957 /nfs/dbraw/zinc/54/19/57/990541957.db2.gz OMXDCXDIOZUVSJ-QMMMGPOBSA-N 0 1 233.246 2.040 20 0 BEADMN Cc1[nH+]cn(CCc2ccccc2C(=O)[O-])c1C ZINC001607991056 990621963 /nfs/dbraw/zinc/62/19/63/990621963.db2.gz UBEVOFYTYFINSG-UHFFFAOYSA-N 0 1 244.294 2.441 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@H]1F ZINC001123774736 990666380 /nfs/dbraw/zinc/66/63/80/990666380.db2.gz LLUALFQSFBVNAW-IYSWYEEDSA-N 0 1 229.638 2.342 20 0 BEADMN CC(=Cc1ccco1)C(=O)NCc1cn[nH]c1C ZINC001543566013 990696708 /nfs/dbraw/zinc/69/67/08/990696708.db2.gz QCYDRVPLNYCPFV-RMKNXTFCSA-N 0 1 245.282 2.031 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)c1[nH]ncc1F ZINC001543997929 990709171 /nfs/dbraw/zinc/70/91/71/990709171.db2.gz RYUKUNGAHXHROD-QMMMGPOBSA-N 0 1 241.310 2.493 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C\C(C)(C)C)c1C ZINC001123989040 990724106 /nfs/dbraw/zinc/72/41/06/990724106.db2.gz NJTCSJBRHLFQEX-SREVYHEPSA-N 0 1 235.331 2.245 20 0 BEADMN CN(Cc1ccco1)C(=O)c1cccc(F)c1O ZINC001124260163 990768918 /nfs/dbraw/zinc/76/89/18/990768918.db2.gz TZACYJQQZCVUNB-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN CC(=O)CN(C)Cc1cccc2ncccc12 ZINC001137623914 990830701 /nfs/dbraw/zinc/83/07/01/990830701.db2.gz AIMHGCCTISNWDB-UHFFFAOYSA-N 0 1 228.295 2.256 20 0 BEADMN Fc1ccc(CN2CCCC23CC3)cn1 ZINC001137735286 990844726 /nfs/dbraw/zinc/84/47/26/990844726.db2.gz NXYXARMUWDKBBR-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN Cc1cc(CCC(=O)NCC2=CCCCC2)n[nH]1 ZINC001556822270 990857053 /nfs/dbraw/zinc/85/70/53/990857053.db2.gz KFOWAMAFKSYXHB-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN CO[C@H]1CN(Cc2c(C)cccc2C)C[C@@H]1F ZINC001137847992 990860424 /nfs/dbraw/zinc/86/04/24/990860424.db2.gz OCFBBADEKAWEQC-KBPBESRZSA-N 0 1 237.318 2.472 20 0 BEADMN CCOC(=O)C1CN(Cc2c(C)cccc2C)C1 ZINC001137851524 990860649 /nfs/dbraw/zinc/86/06/49/990860649.db2.gz CNDKXJMHFFKKRV-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN Cc1cc(CCC(=O)N2[C@@H](C)CCC2(C)C)n[nH]1 ZINC001556949387 990864484 /nfs/dbraw/zinc/86/44/84/990864484.db2.gz HVSCSRJTHCXNRX-NSHDSACASA-N 0 1 249.358 2.440 20 0 BEADMN Cc1[nH]ncc1C(=O)N(C)c1ccsc1 ZINC001557261558 990883003 /nfs/dbraw/zinc/88/30/03/990883003.db2.gz HNIJVPGBAZYLMP-UHFFFAOYSA-N 0 1 221.285 2.056 20 0 BEADMN CN(CCF)Cc1cccc2nccnc12 ZINC001138309331 990908804 /nfs/dbraw/zinc/90/88/04/990908804.db2.gz KHYPEAXAHJNFMQ-UHFFFAOYSA-N 0 1 219.263 2.031 20 0 BEADMN O=C(Nc1ccns1)c1cc(C(F)F)n[nH]1 ZINC001557779606 990911723 /nfs/dbraw/zinc/91/17/23/990911723.db2.gz DHQZFEVFXWTHKK-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN Oc1cc(O)cc(CN2CCC(F)CC2)c1 ZINC001138324605 990919184 /nfs/dbraw/zinc/91/91/84/990919184.db2.gz SRLJLSIQQKNWMY-UHFFFAOYSA-N 0 1 225.263 2.032 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC001138392298 990931452 /nfs/dbraw/zinc/93/14/52/990931452.db2.gz UUKYFHJRIMAADP-JTQLQIEISA-N 0 1 206.289 2.019 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC001138392298 990931457 /nfs/dbraw/zinc/93/14/57/990931457.db2.gz UUKYFHJRIMAADP-JTQLQIEISA-N 0 1 206.289 2.019 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC001558497332 990947909 /nfs/dbraw/zinc/94/79/09/990947909.db2.gz KDSKOXBRNUFTEC-ZYHUDNBSSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001258067609 990959320 /nfs/dbraw/zinc/95/93/20/990959320.db2.gz BJECRVGPONNEPF-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1ccc(O[C@H](C)CNCc2cc[nH]n2)cc1 ZINC001308285725 990959459 /nfs/dbraw/zinc/95/94/59/990959459.db2.gz JQYFKVXVVGBFFP-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CCNC(=O)[C@H]1C ZINC001258067610 990959767 /nfs/dbraw/zinc/95/97/67/990959767.db2.gz BJECRVGPONNEPF-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN OC[C@@H](CNCc1nccs1)c1ccccc1 ZINC001308290788 990960899 /nfs/dbraw/zinc/96/08/99/990960899.db2.gz LTDJJQBIXNSAOL-GFCCVEGCSA-N 0 1 248.351 2.009 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)CCF)n[nH]1 ZINC001558570102 990965781 /nfs/dbraw/zinc/96/57/81/990965781.db2.gz OQMXATFVMYSRAN-NSHDSACASA-N 0 1 239.294 2.131 20 0 BEADMN C/C=C/C=C/C(=O)Nc1ccc2cncn2c1 ZINC001558589577 990970836 /nfs/dbraw/zinc/97/08/36/990970836.db2.gz BUAMBMYCGDUQET-MQQKCMAXSA-N 0 1 227.267 2.405 20 0 BEADMN CCCn1ncc(CN(CC)CCOC)c1C ZINC001138635556 990986383 /nfs/dbraw/zinc/98/63/83/990986383.db2.gz FYTXUZVTSVFLCT-UHFFFAOYSA-N 0 1 239.363 2.070 20 0 BEADMN CC(C)=CCC[C@H](C)n1c(C)nnc1CN ZINC001258085637 990990007 /nfs/dbraw/zinc/99/00/07/990990007.db2.gz LBTOGRBFAVMOLG-JTQLQIEISA-N 0 1 222.336 2.353 20 0 BEADMN CC(C)=CCC[C@H](C)N1CCN(C(C)=O)CC1 ZINC001258089750 990999947 /nfs/dbraw/zinc/99/99/47/990999947.db2.gz VEKPILMXFKHYGH-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN COC(=O)CN(C)[C@@H](C)CCC=C(C)C ZINC001258095729 991003601 /nfs/dbraw/zinc/00/36/01/991003601.db2.gz JPTXYGPHVOGJCZ-NSHDSACASA-N 0 1 213.321 2.226 20 0 BEADMN CCOC(=O)CCC[C@H](C)NCC(C)(F)F ZINC001258100917 991012061 /nfs/dbraw/zinc/01/20/61/991012061.db2.gz KLFCYIOEBJEWPE-VIFPVBQESA-N 0 1 237.290 2.353 20 0 BEADMN CCCCCC(=O)N1CCN(C2CC2)C[C@@H]1C ZINC001558997859 991019320 /nfs/dbraw/zinc/01/93/20/991019320.db2.gz ALBYPSAFFYZFLL-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN Cl/C=C\CNCc1cnnn1-c1ccccc1 ZINC001308543857 991027510 /nfs/dbraw/zinc/02/75/10/991027510.db2.gz NRWQNURNSLSQBL-DAXSKMNVSA-N 0 1 248.717 2.109 20 0 BEADMN c1cc2cc(CN3CCSCC3)cnc2[nH]1 ZINC001138744792 991029948 /nfs/dbraw/zinc/02/99/48/991029948.db2.gz VFEGMKSLZHBMLB-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN C[C@H]1CCN(Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138776379 991040537 /nfs/dbraw/zinc/04/05/37/991040537.db2.gz SPRBENUDFGFBTM-GXTWGEPZSA-N 0 1 249.358 2.424 20 0 BEADMN CC[C@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001308584160 991045932 /nfs/dbraw/zinc/04/59/32/991045932.db2.gz SOSAEBXSKYVQFE-NSHDSACASA-N 0 1 219.332 2.450 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccnc(Cl)c1 ZINC001138815918 991067443 /nfs/dbraw/zinc/06/74/43/991067443.db2.gz CGQBOLTXQLFBCG-ONGXEEELSA-N 0 1 240.734 2.080 20 0 BEADMN O[C@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC001138816406 991070350 /nfs/dbraw/zinc/07/03/50/991070350.db2.gz QTPPSJZZGFUWIZ-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN FC[C@H]1[C@@H]2CN(Cc3ccnc(Cl)c3)C[C@H]12 ZINC001138819614 991071015 /nfs/dbraw/zinc/07/10/15/991071015.db2.gz IHOYGZWDGKVHGD-RTCCRHLQSA-N 0 1 240.709 2.382 20 0 BEADMN C[C@H](Cc1ccco1)[NH2+]Cc1ncccc1[O-] ZINC001258177133 991073119 /nfs/dbraw/zinc/07/31/19/991073119.db2.gz MNJKORLMAGVGJN-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN CCn1ccc(CN[C@@H](C)Cc2ccco2)n1 ZINC001258176071 991073400 /nfs/dbraw/zinc/07/34/00/991073400.db2.gz HPOVFWKSUUKANX-NSHDSACASA-N 0 1 233.315 2.217 20 0 BEADMN CC(=O)OC1CN(C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258175287 991075958 /nfs/dbraw/zinc/07/59/58/991075958.db2.gz SCCHACGHBHVNCT-UWVGGRQHSA-N 0 1 225.332 2.058 20 0 BEADMN CN1CC2(C1)CN(Cc1ccc3occc3c1)C2 ZINC001138825952 991076748 /nfs/dbraw/zinc/07/67/48/991076748.db2.gz KAZXUXABLWITQP-UHFFFAOYSA-N 0 1 242.322 2.180 20 0 BEADMN Cc1cc(CN2CC[C@H](C)C[C@@H]2C)nn1C ZINC001138829612 991079381 /nfs/dbraw/zinc/07/93/81/991079381.db2.gz ZHGDXBJVIMRZBX-JQWIXIFHSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cc(CN2CCC[C@@H](F)CC2)nn1C ZINC001138826675 991080984 /nfs/dbraw/zinc/08/09/84/991080984.db2.gz NSMAUXLRKZLZAE-LLVKDONJSA-N 0 1 225.311 2.053 20 0 BEADMN C[C@@H](Cc1ccco1)Nc1cccnc1CN ZINC001258182088 991083525 /nfs/dbraw/zinc/08/35/25/991083525.db2.gz VDIHSTRPZNALKH-JTQLQIEISA-N 0 1 231.299 2.176 20 0 BEADMN CCCn1cc(CN2CC[C@@H](CC)[C@H]2C)nn1 ZINC001308702895 991099037 /nfs/dbraw/zinc/09/90/37/991099037.db2.gz DEEACJPNQTUWKG-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H](Cc1ccco1)N1CC(C(F)F)C1 ZINC001258198239 991100940 /nfs/dbraw/zinc/10/09/40/991100940.db2.gz XOXIYYXACYVFNF-QMMMGPOBSA-N 0 1 215.243 2.408 20 0 BEADMN CCCn1cc(CN2CC[C@H](CC)[C@@H]2C)nn1 ZINC001308702894 991101185 /nfs/dbraw/zinc/10/11/85/991101185.db2.gz DEEACJPNQTUWKG-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1c[nH]c(C[N@H+]2CCC[C@@](C)(F)CC2)n1 ZINC001138935143 991103649 /nfs/dbraw/zinc/10/36/49/991103649.db2.gz FUSAZCAPDZEXNS-GFCCVEGCSA-N 0 1 225.311 2.432 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@](C)(F)CC2)n1 ZINC001138935143 991103654 /nfs/dbraw/zinc/10/36/54/991103654.db2.gz FUSAZCAPDZEXNS-GFCCVEGCSA-N 0 1 225.311 2.432 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@H](C)O[C@@H](C)C1 ZINC001258194160 991106840 /nfs/dbraw/zinc/10/68/40/991106840.db2.gz BXFGXUSMFICJID-WOPDTQHZSA-N 0 1 223.316 2.320 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001308738331 991117622 /nfs/dbraw/zinc/11/76/22/991117622.db2.gz JTPNKUZCIKYRMW-DMLMCSCLSA-N 0 1 221.304 2.217 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2C[C@@H]3CCC[C@@H]32)n1 ZINC001308773023 991120638 /nfs/dbraw/zinc/12/06/38/991120638.db2.gz CNAAAGCBPZEFRJ-QXEWZRGKSA-N 0 1 239.750 2.352 20 0 BEADMN CCN(Cc1nc(CO)cs1)C1CCCC1 ZINC001308757149 991122559 /nfs/dbraw/zinc/12/25/59/991122559.db2.gz QTAICYWLNCRZRK-UHFFFAOYSA-N 0 1 240.372 2.400 20 0 BEADMN CCCn1cc(CN2CCC[C@H](C(C)=O)C2)cn1 ZINC001139039860 991128675 /nfs/dbraw/zinc/12/86/75/991128675.db2.gz CJVDSSYXUGZXSS-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN COc1nscc1CN(C)CC(C)C ZINC001559503616 991129598 /nfs/dbraw/zinc/12/95/98/991129598.db2.gz ATBREQKEVBYLPP-UHFFFAOYSA-N 0 1 214.334 2.240 20 0 BEADMN CCC1(C)CN(Cc2ccc3nonc3c2)C1 ZINC001308812325 991151399 /nfs/dbraw/zinc/15/13/99/991151399.db2.gz XIPJWQVGEBGFLS-UHFFFAOYSA-N 0 1 231.299 2.455 20 0 BEADMN COc1cc(O)ccc1CN1CC2(CCC2)C1 ZINC001139139233 991164955 /nfs/dbraw/zinc/16/49/55/991164955.db2.gz WMSXEYSGNCEOHL-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN c1cc(CN2CC3(CCC3)C2)cc2nonc12 ZINC001139218740 991192494 /nfs/dbraw/zinc/19/24/94/991192494.db2.gz JSAILMRBTASLCI-UHFFFAOYSA-N 0 1 229.283 2.209 20 0 BEADMN Cc1cn[nH]c1CNc1cncc(Cl)c1 ZINC001308939529 991223598 /nfs/dbraw/zinc/22/35/98/991223598.db2.gz HVDVBGZLSIXNTR-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CC1(C)CCC[C@H](N2CCn3nncc3C2)C1 ZINC001258294076 991231695 /nfs/dbraw/zinc/23/16/95/991231695.db2.gz SCAGKYVEWSJFOL-NSHDSACASA-N 0 1 234.347 2.063 20 0 BEADMN CCc1cnccc1[C@@H](C)NCC1=NOCC1 ZINC001559741418 991236640 /nfs/dbraw/zinc/23/66/40/991236640.db2.gz LZIFVNCTHXVRIR-SNVBAGLBSA-N 0 1 233.315 2.071 20 0 BEADMN O=c1ccc(CN2CCCC[C@@H](F)C2)c[nH]1 ZINC001139463708 991248983 /nfs/dbraw/zinc/24/89/83/991248983.db2.gz KWYPRTVCXFVAAI-LLVKDONJSA-N 0 1 224.279 2.111 20 0 BEADMN COC1CN([C@H](C)CC(C)(C)SC)C1 ZINC001258331510 991255888 /nfs/dbraw/zinc/25/58/88/991255888.db2.gz PCIZFQMWWZSGQA-SECBINFHSA-N 0 1 217.378 2.237 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)CC(C)(C)SC ZINC001258335128 991258742 /nfs/dbraw/zinc/25/87/42/991258742.db2.gz XEZONTWAEZSOSN-NSHDSACASA-N 0 1 231.429 2.391 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H](C)CC(C)(C)SC ZINC001258335128 991258751 /nfs/dbraw/zinc/25/87/51/991258751.db2.gz XEZONTWAEZSOSN-NSHDSACASA-N 0 1 231.429 2.391 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@H](C)CC(C)(C)SC ZINC001258341782 991266510 /nfs/dbraw/zinc/26/65/10/991266510.db2.gz NWBSCQNYXZQCPY-NXEZZACHSA-N 0 1 247.404 2.400 20 0 BEADMN CCN(CC(=O)OC)[C@H](C)CC(C)(C)SC ZINC001258350061 991283661 /nfs/dbraw/zinc/28/36/61/991283661.db2.gz VLYRMCLZOTVXFC-SNVBAGLBSA-N 0 1 247.404 2.402 20 0 BEADMN CCOc1ccc(C)cc1CN1CCN(C)CC1 ZINC001139602890 991287134 /nfs/dbraw/zinc/28/71/34/991287134.db2.gz YOQWCEHNQHXWQI-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN COC(=O)CC[C@@H](C)NC1(c2ccccn2)CC1 ZINC001258355698 991291096 /nfs/dbraw/zinc/29/10/96/991291096.db2.gz ICBGQIFESBJIGF-LLVKDONJSA-N 0 1 248.326 2.002 20 0 BEADMN CCOc1ccncc1CN(CC)CC ZINC001139627339 991303141 /nfs/dbraw/zinc/30/31/41/991303141.db2.gz NVUVCPQYMPPHPB-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN C[C@H](O)[C@H](C)N1CCc2cccc(Cl)c2C1 ZINC001559897945 991312458 /nfs/dbraw/zinc/31/24/58/991312458.db2.gz BUVPJLLOXWASGA-UWVGGRQHSA-N 0 1 239.746 2.467 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3ccncc3n2)[C@H]1C ZINC001139697309 991325437 /nfs/dbraw/zinc/32/54/37/991325437.db2.gz YRAHFFSCGUTFCF-NEPJUHHUSA-N 0 1 244.342 2.350 20 0 BEADMN c1c(CN2CCCCCC2)nc2cnccn12 ZINC001139694623 991326697 /nfs/dbraw/zinc/32/66/97/991326697.db2.gz VAWVGFRWXVXSBD-UHFFFAOYSA-N 0 1 230.315 2.105 20 0 BEADMN CCN(Cc1c(C)cc(O)cc1C)C1COC1 ZINC001139714447 991337449 /nfs/dbraw/zinc/33/74/49/991337449.db2.gz AWWAAUMJEHTEMC-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN CC1(C)CCN(Cc2cnc3c(c2)OCCO3)C1 ZINC001139733623 991345213 /nfs/dbraw/zinc/34/52/13/991345213.db2.gz CABYLDYLWGSJIO-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN COc1ncc(CN2CCCC23CC3)s1 ZINC001139814551 991369503 /nfs/dbraw/zinc/36/95/03/991369503.db2.gz HICROVGQIJUAIY-UHFFFAOYSA-N 0 1 224.329 2.280 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](O)[C@@H](C)C2)s1 ZINC001139808966 991374837 /nfs/dbraw/zinc/37/48/37/991374837.db2.gz IFWLYKUZAXPLNM-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3OCC[C@H]3C2)s1 ZINC001139813720 991375023 /nfs/dbraw/zinc/37/50/23/991375023.db2.gz LJABSKSTPPRNJC-QWRGUYRKSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1cnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)s1 ZINC001139808920 991375880 /nfs/dbraw/zinc/37/58/80/991375880.db2.gz HMBYOUPEQHNDSU-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@@H]2CO)s1 ZINC001139808920 991375888 /nfs/dbraw/zinc/37/58/88/991375888.db2.gz HMBYOUPEQHNDSU-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN COCc1ccc(CN2CC[C@H]2C)s1 ZINC001139824271 991379321 /nfs/dbraw/zinc/37/93/21/991379321.db2.gz SCMICJZNSOGFGY-SECBINFHSA-N 0 1 211.330 2.489 20 0 BEADMN COc1ncc(CN(C)CC2CCC2)s1 ZINC001139817394 991380249 /nfs/dbraw/zinc/38/02/49/991380249.db2.gz NCYOISDFFCKTQB-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN COCc1ccc(CN2CCCOCC2)s1 ZINC001139823979 991381524 /nfs/dbraw/zinc/38/15/24/991381524.db2.gz LDUVTBVGWOHKRE-UHFFFAOYSA-N 0 1 241.356 2.117 20 0 BEADMN COc1ncc(CN2C[C@H]3CC[C@@H]2C3)s1 ZINC001139818993 991382631 /nfs/dbraw/zinc/38/26/31/991382631.db2.gz VFONPYNUQZLTCU-DTWKUNHWSA-N 0 1 224.329 2.136 20 0 BEADMN COc1ccc([C@H](C)NCC2=NOCC2)cc1C ZINC001560128013 991385996 /nfs/dbraw/zinc/38/59/96/991385996.db2.gz BYZAFWPRDFVLBD-NSHDSACASA-N 0 1 248.326 2.431 20 0 BEADMN COCc1ccc(CN(C)[C@H]2CCOC2)s1 ZINC001139826843 991385859 /nfs/dbraw/zinc/38/58/59/991385859.db2.gz CVMZJTFBAURFGZ-JTQLQIEISA-N 0 1 241.356 2.115 20 0 BEADMN Fc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccn1 ZINC001139833660 991391422 /nfs/dbraw/zinc/39/14/22/991391422.db2.gz LPHNEXZLQBUELK-LLVKDONJSA-N 0 1 242.244 2.452 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)nc1 ZINC001139839713 991401559 /nfs/dbraw/zinc/40/15/59/991401559.db2.gz PPWCEOVHWRCXSY-UKRRQHHQSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cn1 ZINC001139930996 991421908 /nfs/dbraw/zinc/42/19/08/991421908.db2.gz MORRZGKVNCRNQG-KGLIPLIRSA-N 0 1 232.327 2.001 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)cn1 ZINC001139929348 991422637 /nfs/dbraw/zinc/42/26/37/991422637.db2.gz XLPREIXDVUINLG-CABCVRRESA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H]1CCN1Cc1c[nH]c2ncnc(Cl)c12 ZINC001139934661 991425687 /nfs/dbraw/zinc/42/56/87/991425687.db2.gz HRVDVMIXQNABJZ-ZETCQYMHSA-N 0 1 236.706 2.157 20 0 BEADMN CC[C@@H](NCc1cc(C)nn1C)c1ccncc1 ZINC001560348610 991453889 /nfs/dbraw/zinc/45/38/89/991453889.db2.gz GXEBSALVZIWBOK-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN CC[C@H](NCc1cc(C)nn1C)c1ccncc1 ZINC001560348609 991454062 /nfs/dbraw/zinc/45/40/62/991454062.db2.gz GXEBSALVZIWBOK-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CCCC1CCN(Cc2ccnnc2)CC1 ZINC001139982900 991455456 /nfs/dbraw/zinc/45/54/56/991455456.db2.gz GCZZZSBBHLOTMT-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN CCOC(=O)CC[C@@H](C)N[C@H](C)c1ccno1 ZINC001258486722 991458920 /nfs/dbraw/zinc/45/89/20/991458920.db2.gz LPEYZYFVKCXQAY-NXEZZACHSA-N 0 1 240.303 2.057 20 0 BEADMN CCOC(=O)CC[C@H](C)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001258491832 991464421 /nfs/dbraw/zinc/46/44/21/991464421.db2.gz ODFWPGAOPVPTKO-BJDJZHNGSA-N 0 1 243.322 2.008 20 0 BEADMN OC1CCN(Cc2cc3ccccc3cn2)CC1 ZINC001139994205 991474182 /nfs/dbraw/zinc/47/41/82/991474182.db2.gz MFIYCXCTLKEPHZ-UHFFFAOYSA-N 0 1 242.322 2.192 20 0 BEADMN COC[C@H]1CCN1Cc1cc2ccccc2cn1 ZINC001140002849 991475368 /nfs/dbraw/zinc/47/53/68/991475368.db2.gz HFRPLNKZLFOVJC-OAHLLOKOSA-N 0 1 242.322 2.456 20 0 BEADMN CCCC1CCC([NH2+]CC[P@](=O)([O-])O)CC1 ZINC001258527989 991475514 /nfs/dbraw/zinc/47/55/14/991475514.db2.gz AVWMDANQGHJSLZ-UHFFFAOYSA-N 0 1 249.291 2.113 20 0 BEADMN CCCC1CCC(N2CCNC(=O)[C@@H]2C)CC1 ZINC001258532953 991479854 /nfs/dbraw/zinc/47/98/54/991479854.db2.gz OEIPGXQGSFXJEP-HIFPTAJRSA-N 0 1 238.375 2.166 20 0 BEADMN Nc1nccnc1CN1CCC2(CCCC2)CC1 ZINC001140011388 991483490 /nfs/dbraw/zinc/48/34/90/991483490.db2.gz MHRNTSGBTJXYNS-UHFFFAOYSA-N 0 1 246.358 2.215 20 0 BEADMN CSc1nccc(CN2C3CCC2CC3)n1 ZINC001140038112 991493908 /nfs/dbraw/zinc/49/39/08/991493908.db2.gz OCTXGSQKBVPZHB-UHFFFAOYSA-N 0 1 235.356 2.325 20 0 BEADMN CNc1nccc(CN2CCCCC23CC3)n1 ZINC001140047907 991497765 /nfs/dbraw/zinc/49/77/65/991497765.db2.gz VWETXVWKAPJUAD-UHFFFAOYSA-N 0 1 232.331 2.037 20 0 BEADMN FC(F)c1cncc(NCc2cnc[nH]2)c1 ZINC001560565673 991500103 /nfs/dbraw/zinc/50/01/03/991500103.db2.gz MNJFREITYWSBIZ-UHFFFAOYSA-N 0 1 224.214 2.354 20 0 BEADMN Cc1ncc(CNc2ccc3c[nH]nc3c2)o1 ZINC001560570101 991502927 /nfs/dbraw/zinc/50/29/27/991502927.db2.gz XDZNCMWIFYLTIN-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CCC[N@@H+](CCOC)Cc1ccc(O)cc1F ZINC001140125124 991529657 /nfs/dbraw/zinc/52/96/57/991529657.db2.gz PTNXICLCYALVMI-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN CCCN(CCOC)Cc1ccc(O)cc1F ZINC001140125124 991529670 /nfs/dbraw/zinc/52/96/70/991529670.db2.gz PTNXICLCYALVMI-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN Oc1cccc2[nH]cc(CN3CCCOCC3)c21 ZINC001140231036 991568978 /nfs/dbraw/zinc/56/89/78/991568978.db2.gz DRNZKGRSWINKKJ-UHFFFAOYSA-N 0 1 246.310 2.096 20 0 BEADMN COC[C@@H]1CCN1Cc1c[nH]c2cccc(O)c12 ZINC001140238199 991572496 /nfs/dbraw/zinc/57/24/96/991572496.db2.gz BQJRTVYCVUHMOK-NSHDSACASA-N 0 1 246.310 2.094 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H](C)OC[C@H]1C ZINC001258635162 991575071 /nfs/dbraw/zinc/57/50/71/991575071.db2.gz XXHODGNNSDENHS-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)[C@H]1CN([C@H](C)Cc2cccnc2)CCO1 ZINC001258635132 991578220 /nfs/dbraw/zinc/57/82/20/991578220.db2.gz XELJNFGZDRJPJG-UKRRQHHQSA-N 0 1 248.370 2.369 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140275491 991580949 /nfs/dbraw/zinc/58/09/49/991580949.db2.gz QBLPYLUJNWLVON-LLVKDONJSA-N 0 1 224.279 2.111 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccncc1[O-] ZINC001140273148 991582780 /nfs/dbraw/zinc/58/27/80/991582780.db2.gz AVQYAGVZZJSHOF-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN c1cc(CN2CC3(COC3)C2)cc2c1CCC2 ZINC001203019221 991601067 /nfs/dbraw/zinc/60/10/67/991601067.db2.gz KKTYUZOTMGKUSE-UHFFFAOYSA-N 0 1 229.323 2.008 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC[C@H](F)C3)c2c1 ZINC001140328836 991604885 /nfs/dbraw/zinc/60/48/85/991604885.db2.gz MMWKEDAMJIKXET-JTQLQIEISA-N 0 1 233.290 2.415 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCCCO3)c2c1 ZINC001140328996 991607032 /nfs/dbraw/zinc/60/70/32/991607032.db2.gz OBDFVKNKEBTOAV-UHFFFAOYSA-N 0 1 231.299 2.399 20 0 BEADMN F[C@H]1CN(Cc2ccc3n[nH]cc3c2)C[C@@H]2C[C@@H]21 ZINC001140384771 991631591 /nfs/dbraw/zinc/63/15/91/991631591.db2.gz NDLIFLLBKMIRIL-AVGNSLFASA-N 0 1 245.301 2.353 20 0 BEADMN c1[nH]nc2ccc(CN3CC4(CSC4)C3)cc12 ZINC001140389349 991634567 /nfs/dbraw/zinc/63/45/67/991634567.db2.gz TWOMXMMLLSTQJK-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN C[C@]1(CN2CC(C)(O)C2)C[C@@H]1c1ccccc1 ZINC001560876773 991636438 /nfs/dbraw/zinc/63/64/38/991636438.db2.gz ZVNAUDBZWSZFLC-ZIAGYGMSSA-N 0 1 231.339 2.247 20 0 BEADMN CCC[C@@H](CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001318219200 991638238 /nfs/dbraw/zinc/63/82/38/991638238.db2.gz BLXZGXJVIQZKSM-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(Cl)nc1CN1CCC[C@@H]1CO ZINC001140442982 991641222 /nfs/dbraw/zinc/64/12/22/991641222.db2.gz WAKORXXEISOLER-SNVBAGLBSA-N 0 1 240.734 2.000 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1C(=O)[O-] ZINC001140498062 991654370 /nfs/dbraw/zinc/65/43/70/991654370.db2.gz HJEQMCSEXPPTAY-KOLCDFICSA-N 0 1 237.274 2.317 20 0 BEADMN C[C@@H](Cc1cccc(Cl)c1)N1CC(CO)C1 ZINC001258749829 991690016 /nfs/dbraw/zinc/69/00/16/991690016.db2.gz NYTCTZJOEMUIQU-JTQLQIEISA-N 0 1 239.746 2.195 20 0 BEADMN Cc1ncoc1C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001561037873 991698215 /nfs/dbraw/zinc/69/82/15/991698215.db2.gz XLHKUOHZJNKFRI-CMPLNLGQSA-N 0 1 238.356 2.168 20 0 BEADMN CCCC[C@H](CC)C(=O)NCCN1CC=CC1 ZINC001318712453 991706411 /nfs/dbraw/zinc/70/64/11/991706411.db2.gz GFTGDIYAQCCXEH-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN CC[C@@H](C)NC(=O)[C@@H](C)N1CC(C)(C)C1(C)C ZINC001318971620 991751735 /nfs/dbraw/zinc/75/17/35/991751735.db2.gz OGIGJAIGYYFUQQ-GHMZBOCLSA-N 0 1 240.391 2.410 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1CCO[C@@H](C(C)=O)C1 ZINC001258800906 991800206 /nfs/dbraw/zinc/80/02/06/991800206.db2.gz ZENDRDOMXYRNFP-FPMFFAJLSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1nnc(CN)n1C1CCC(C(C)C)CC1 ZINC001258802355 991804768 /nfs/dbraw/zinc/80/47/68/991804768.db2.gz YCQOUUZFRXRTHY-UHFFFAOYSA-N 0 1 236.363 2.433 20 0 BEADMN COCc1nn([C@@H]2CCC[C@@H](C)C2)c2c1CNC2 ZINC001258818680 991837881 /nfs/dbraw/zinc/83/78/81/991837881.db2.gz AHWNCEBISBKKJJ-GHMZBOCLSA-N 0 1 249.358 2.384 20 0 BEADMN C[C@@H]1CCC[C@H](N2CCc3c(ncn3C)C2)C1 ZINC001258825899 991849349 /nfs/dbraw/zinc/84/93/49/991849349.db2.gz GHKVSQUFKFRVAC-NEPJUHHUSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CC(C)(C)C1(C)C ZINC001319417895 991859920 /nfs/dbraw/zinc/85/99/20/991859920.db2.gz JDVQDSPURWTESR-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN COc1cc(C)cc(CNCc2cc(C)n[nH]2)c1 ZINC001319426010 991862952 /nfs/dbraw/zinc/86/29/52/991862952.db2.gz RNOSFZGFXYWODP-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CC(OC)C1 ZINC001258844351 991871781 /nfs/dbraw/zinc/87/17/81/991871781.db2.gz MTARPVACKPKLHZ-CYBMUJFWSA-N 0 1 219.328 2.338 20 0 BEADMN CC(C)c1nc(NC(=O)CCc2ccoc2)n[nH]1 ZINC001319501411 991877089 /nfs/dbraw/zinc/87/70/89/991877089.db2.gz AFFNIGPTXVRDBX-UHFFFAOYSA-N 0 1 248.286 2.092 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)CCc2ccoc2)n1 ZINC001319501411 991877095 /nfs/dbraw/zinc/87/70/95/991877095.db2.gz AFFNIGPTXVRDBX-UHFFFAOYSA-N 0 1 248.286 2.092 20 0 BEADMN CC[C@H](Cc1ccccc1)N1C[C@H]2C[C@@H](C1)O2 ZINC001258851306 991885132 /nfs/dbraw/zinc/88/51/32/991885132.db2.gz ORYZGCLGVJALOS-KFWWJZLASA-N 0 1 231.339 2.481 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1ccccc1OC ZINC001258884621 991886876 /nfs/dbraw/zinc/88/68/76/991886876.db2.gz WSUUADRTEZVVTD-CYBMUJFWSA-N 0 1 249.378 2.111 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccccc1OC ZINC001258884621 991886878 /nfs/dbraw/zinc/88/68/78/991886878.db2.gz WSUUADRTEZVVTD-CYBMUJFWSA-N 0 1 249.378 2.111 20 0 BEADMN C[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC(C)(C)C1 ZINC001598447352 991887754 /nfs/dbraw/zinc/88/77/54/991887754.db2.gz CCRJMZDGHMQGIZ-BDAKNGLRSA-N 0 1 247.285 2.073 20 0 BEADMN COc1ccccc1C[C@H](C)NCc1ncco1 ZINC001258877711 991887688 /nfs/dbraw/zinc/88/76/88/991887688.db2.gz YDZFANBLLZIJRQ-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN COc1ccccc1C[C@@H](C)N(C)C1(C)COC1 ZINC001258894479 991889565 /nfs/dbraw/zinc/88/95/65/991889565.db2.gz YVDXHPYFGWAVES-GFCCVEGCSA-N 0 1 249.354 2.347 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCCN1CC=CC1 ZINC001319567538 991896590 /nfs/dbraw/zinc/89/65/90/991896590.db2.gz DOSZQZRDNHEPQF-GFCCVEGCSA-N 0 1 238.375 2.047 20 0 BEADMN CCCN(Cc1cc(C)[nH]n1)CC(F)F ZINC001319716422 991948025 /nfs/dbraw/zinc/94/80/25/991948025.db2.gz OQKPSPANDWUQHW-UHFFFAOYSA-N 0 1 217.263 2.195 20 0 BEADMN Cc1cc(NS(=O)(=O)C2CCCC2)sn1 ZINC001259793998 991978566 /nfs/dbraw/zinc/97/85/66/991978566.db2.gz LEMLPCNDFUBINH-UHFFFAOYSA-N 0 1 246.357 2.136 20 0 BEADMN O=S(=O)(Nc1cncs1)C1CCCCC1 ZINC001259809373 991996422 /nfs/dbraw/zinc/99/64/22/991996422.db2.gz YVUNCZQYGHKOCL-UHFFFAOYSA-N 0 1 246.357 2.218 20 0 BEADMN Cc1ncc(CN2CC(C)(C)C2(C)C)cn1 ZINC001319950743 992042397 /nfs/dbraw/zinc/04/23/97/992042397.db2.gz RROITEKDXWIGDH-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1c(C(=O)NC2CC(C)C2)ccc2cncn21 ZINC001319989920 992065605 /nfs/dbraw/zinc/06/56/05/992065605.db2.gz UNXFUBMWNDWGQK-UHFFFAOYSA-N 0 1 243.310 2.171 20 0 BEADMN CCCCN1CC(NC(=O)/C=C/C(C)(C)C)C1 ZINC001567786819 992093276 /nfs/dbraw/zinc/09/32/76/992093276.db2.gz POUODGRATSADEL-BQYQJAHWSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@@H]1CCN(C(=O)CN(CC)C2CC2)[C@@H]1C ZINC001567817088 992096883 /nfs/dbraw/zinc/09/68/83/992096883.db2.gz IZIOCRZWKCNDOL-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)CN(CC)C2CC2)[C@H]1C ZINC001567817086 992098138 /nfs/dbraw/zinc/09/81/38/992098138.db2.gz IZIOCRZWKCNDOL-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)c2cccnc2)n[nH]1 ZINC001320138823 992112524 /nfs/dbraw/zinc/11/25/24/992112524.db2.gz YNFGEGNEQULSIP-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN CCN(CCC1CC1)CN1C(=O)CC1(C)C ZINC001320166119 992119091 /nfs/dbraw/zinc/11/90/91/992119091.db2.gz HKFVYCAIDVWPSN-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN C/C=C/C=C/c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320213824 992135676 /nfs/dbraw/zinc/13/56/76/992135676.db2.gz VYFZKXUACGSKOH-JXVRCYGRSA-N 0 1 245.326 2.468 20 0 BEADMN Cc1c(C(=O)OC(C)C)ccc2cncn21 ZINC001320463181 992208316 /nfs/dbraw/zinc/20/83/16/992208316.db2.gz QFVKHFYDXAVUOU-UHFFFAOYSA-N 0 1 218.256 2.208 20 0 BEADMN O=C(CCF)Nc1cc(Cl)c(O)cc1F ZINC001568780696 992215444 /nfs/dbraw/zinc/21/54/44/992215444.db2.gz XFNBNRHIEWXWNV-UHFFFAOYSA-N 0 1 235.617 2.483 20 0 BEADMN CCc1cc(NC(=O)Cc2cnc[nH]2)ccc1F ZINC001568800623 992219151 /nfs/dbraw/zinc/21/91/51/992219151.db2.gz FMWJTJHHSGLSRU-UHFFFAOYSA-N 0 1 247.273 2.292 20 0 BEADMN Fc1cc(CNC/C=C\C2CC2)c(F)cn1 ZINC001261255958 992226567 /nfs/dbraw/zinc/22/65/67/992226567.db2.gz QJAJASIWIMEQIX-UPHRSURJSA-N 0 1 224.254 2.416 20 0 BEADMN COc1cc(NCc2cc(C)[nH]n2)ccc1F ZINC001320519752 992226672 /nfs/dbraw/zinc/22/66/72/992226672.db2.gz YFMOPDVLZJOCIB-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CC(C)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001591287163 992227841 /nfs/dbraw/zinc/22/78/41/992227841.db2.gz JZKZXFMJFPGVMK-RYUDHWBXSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)c1nc(CNC(=O)C=C2CCCC2)n[nH]1 ZINC001261266433 992236540 /nfs/dbraw/zinc/23/65/40/992236540.db2.gz IJONDMDLDCFTJF-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN c1cc(CN2CC3(C2)CCOCC3)n(C2CC2)c1 ZINC001261297634 992259565 /nfs/dbraw/zinc/25/95/65/992259565.db2.gz ITUMGNQWFCKHNA-UHFFFAOYSA-N 0 1 246.354 2.435 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@H](C)[C@H]1CO ZINC001320604544 992271747 /nfs/dbraw/zinc/27/17/47/992271747.db2.gz ZXLCOSORLIBLQR-CMPLNLGQSA-N 0 1 238.331 2.001 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001591320708 992287751 /nfs/dbraw/zinc/28/77/51/992287751.db2.gz XRKGNUSKWREKMX-NXEZZACHSA-N 0 1 247.285 2.073 20 0 BEADMN CN(C)C(=O)OCCN1CC[C@H]1c1ccccc1 ZINC001320666168 992306370 /nfs/dbraw/zinc/30/63/70/992306370.db2.gz NOCOLEOJUXCPCW-ZDUSSCGKSA-N 0 1 248.326 2.132 20 0 BEADMN CN(CCC(C)(C)C)CN1C(=O)CC1(C)C ZINC001261480640 992326623 /nfs/dbraw/zinc/32/66/23/992326623.db2.gz VHOLDSLIEIBFDV-UHFFFAOYSA-N 0 1 226.364 2.323 20 0 BEADMN CCCCCN1CC(N(C)C(=O)CCC)C1 ZINC001569481908 992395211 /nfs/dbraw/zinc/39/52/11/992395211.db2.gz LJHQMSKWEQONMM-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1cc(CNc2cnn([C@@H](C)C3CC3)c2)n[nH]1 ZINC001320763387 992347800 /nfs/dbraw/zinc/34/78/00/992347800.db2.gz BULXGPIEXQCDKX-JTQLQIEISA-N 0 1 245.330 2.498 20 0 BEADMN Cc1[nH]ncc1CNc1ccc(C(C)(C)C)nn1 ZINC001320773984 992355018 /nfs/dbraw/zinc/35/50/18/992355018.db2.gz SRNWTHYMJBUMLS-UHFFFAOYSA-N 0 1 245.330 2.418 20 0 BEADMN COCc1ccc(NCc2cc(C)[nH]n2)cc1 ZINC001320812864 992370826 /nfs/dbraw/zinc/37/08/26/992370826.db2.gz SYKRRUFYJJFMHF-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN CC(C)CCCC(=O)NCC1(NCCF)CC1 ZINC001569419309 992391909 /nfs/dbraw/zinc/39/19/09/992391909.db2.gz BFFMREUXQUUUTM-UHFFFAOYSA-N 0 1 244.354 2.021 20 0 BEADMN CC[C@H](C)CN1CC(N(C)C(=O)CC(C)C)C1 ZINC001569482145 992398611 /nfs/dbraw/zinc/39/86/11/992398611.db2.gz SLZHERAYHQIVDT-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H](C)C2CC2)n[nH]1 ZINC001261585604 992407518 /nfs/dbraw/zinc/40/75/18/992407518.db2.gz CVVABVGKZVRFIE-SFYZADRCSA-N 0 1 237.303 2.017 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2[C@H](C)O)c(C)s1 ZINC001261642007 992437669 /nfs/dbraw/zinc/43/76/69/992437669.db2.gz STMODSIJBIJATG-QPUJVOFHSA-N 0 1 240.372 2.105 20 0 BEADMN COC[C@H](C)Nc1ccc(CN(C)C)c(F)c1 ZINC001321240842 992500052 /nfs/dbraw/zinc/50/00/52/992500052.db2.gz JCCYQFZSMSFJSB-JTQLQIEISA-N 0 1 240.322 2.334 20 0 BEADMN C[N@@H+](Cc1cc2cnccc2o1)C(C)(C)C(=O)[O-] ZINC001598508959 992543189 /nfs/dbraw/zinc/54/31/89/992543189.db2.gz OHGSEGAJLHRLTI-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN C[C@H]1CC/C(=C\C(=O)NCc2cc(N)ccn2)C1 ZINC001262048560 992631724 /nfs/dbraw/zinc/63/17/24/992631724.db2.gz WWGZBDZINWHQDB-VUBLIPMDSA-N 0 1 245.326 2.026 20 0 BEADMN CCc1nccc(N2CCc3cnccc32)n1 ZINC001262061963 992640499 /nfs/dbraw/zinc/64/04/99/992640499.db2.gz NJLOLUDWHCXLDZ-UHFFFAOYSA-N 0 1 226.283 2.128 20 0 BEADMN CC[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573709368 992680852 /nfs/dbraw/zinc/68/08/52/992680852.db2.gz KHDOHWCQGWSWSE-XQQFMLRXSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573709371 992681066 /nfs/dbraw/zinc/68/10/66/992681066.db2.gz KHDOHWCQGWSWSE-YNEHKIRRSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC001262161968 992723741 /nfs/dbraw/zinc/72/37/41/992723741.db2.gz ZMHJLRBIIBAYTB-JGVFFNPUSA-N 0 1 241.253 2.370 20 0 BEADMN CC[C@H]1C[N@@H+](CC2CC(C)C2)C[C@]1(F)C(=O)[O-] ZINC001573825009 992725117 /nfs/dbraw/zinc/72/51/17/992725117.db2.gz VZKIXJVRVFRNSK-TWHWIZHFSA-N 0 1 243.322 2.167 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CCC(=O)C(C)(C)C ZINC001591587229 992797684 /nfs/dbraw/zinc/79/76/84/992797684.db2.gz YWCOQRZELPZSJG-UHFFFAOYSA-N 0 1 243.347 2.177 20 0 BEADMN Fc1cncc(F)c1CNC1(C2CC2)CC1 ZINC001262256859 992824430 /nfs/dbraw/zinc/82/44/30/992824430.db2.gz WSIDOZGFJIPTJK-UHFFFAOYSA-N 0 1 224.254 2.392 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CCCC3)C2)[nH]1 ZINC001574412614 992857666 /nfs/dbraw/zinc/85/76/66/992857666.db2.gz IYDUZQIAHZHXDM-UHFFFAOYSA-N 0 1 248.326 2.479 20 0 BEADMN COc1nccc(CNCC=C(C)C)c1F ZINC001262365421 992860681 /nfs/dbraw/zinc/86/06/81/992860681.db2.gz BHQJRCJOEYATKL-UHFFFAOYSA-N 0 1 224.279 2.285 20 0 BEADMN CCCSC[C@@H](C)NCc1ccn(C)n1 ZINC001262363960 992861510 /nfs/dbraw/zinc/86/15/10/992861510.db2.gz IUTVRPIYMCKBIE-SNVBAGLBSA-N 0 1 227.377 2.041 20 0 BEADMN CCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC001574493716 992870003 /nfs/dbraw/zinc/87/00/03/992870003.db2.gz QCJCLNVOJDWSAL-UHFFFAOYSA-N 0 1 222.288 2.087 20 0 BEADMN CC(C)(C(=O)N1CCNCC1)C1CCCCC1 ZINC001575089413 992987493 /nfs/dbraw/zinc/98/74/93/992987493.db2.gz LYFVKNAIIJACPO-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Clc1ccnc(NCc2n[nH]c(C3CC3)n2)c1 ZINC001262698106 993037327 /nfs/dbraw/zinc/03/73/27/993037327.db2.gz JYUJYHOFROXNEW-UHFFFAOYSA-N 0 1 249.705 2.343 20 0 BEADMN Cc1nnc(NC(=O)C23CCC(CC2)C3(C)C)[nH]1 ZINC001262810282 993072034 /nfs/dbraw/zinc/07/20/34/993072034.db2.gz DVTKUWJCCRPNFN-UHFFFAOYSA-N 0 1 248.330 2.268 20 0 BEADMN CC(C)CCCC(=O)N1CCNC[C@@H]1C(C)C ZINC001575566154 993072432 /nfs/dbraw/zinc/07/24/32/993072432.db2.gz SDNBOZKTQBJCMR-CYBMUJFWSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](NC/C=C\C1CC1)c1nccn1C ZINC000378847003 993207718 /nfs/dbraw/zinc/20/77/18/993207718.db2.gz ALTTVOBZVAFHBN-QMAVJUDZSA-N 0 1 219.332 2.427 20 0 BEADMN CC(C)(O)CN[C@H](CF)c1ccccc1 ZINC000380311757 993326132 /nfs/dbraw/zinc/32/61/32/993326132.db2.gz HISAVHCTBVOWSU-LLVKDONJSA-N 0 1 211.280 2.058 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CCCCS1 ZINC001263490377 993339256 /nfs/dbraw/zinc/33/92/56/993339256.db2.gz QHSFHPMTDCXAGE-VIFPVBQESA-N 0 1 240.328 2.161 20 0 BEADMN CC(C)CNc1cnccc1-n1cccn1 ZINC000381111970 993371274 /nfs/dbraw/zinc/37/12/74/993371274.db2.gz GDNRQKNCVGLCES-UHFFFAOYSA-N 0 1 216.288 2.335 20 0 BEADMN CCOc1ccccc1C[N@H+]1CC[C@](C)(CO)C1 ZINC000381663852 993414391 /nfs/dbraw/zinc/41/43/91/993414391.db2.gz AUTUNQBXXUVUHR-HNNXBMFYSA-N 0 1 249.354 2.290 20 0 BEADMN COc1cc2[nH]c([C@H]3CCOC3)nc2cc1C ZINC000586912835 993417193 /nfs/dbraw/zinc/41/71/93/993417193.db2.gz WUDFSJTUFNGQOR-VIFPVBQESA-N 0 1 232.283 2.384 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001263801509 993526451 /nfs/dbraw/zinc/52/64/51/993526451.db2.gz MXAGQUSLNXIPLK-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN COc1cc(C)ccc1-c1noc([C@H]2CCN2)n1 ZINC000384760675 993624970 /nfs/dbraw/zinc/62/49/70/993624970.db2.gz VWMFWNPGNWTLPQ-SNVBAGLBSA-N 0 1 245.282 2.088 20 0 BEADMN Cc1cc(NC[C@@H](C)C(=O)[O-])[nH+]c2ccccc12 ZINC000384977677 993640408 /nfs/dbraw/zinc/64/04/08/993640408.db2.gz MSDAXKMNAJGLHT-SNVBAGLBSA-N 0 1 244.294 2.098 20 0 BEADMN CC(C)CCNCc1nn(C)cc1Cl ZINC000393324035 993937712 /nfs/dbraw/zinc/93/77/12/993937712.db2.gz JOPNVVQORYXGPX-UHFFFAOYSA-N 0 1 215.728 2.209 20 0 BEADMN Cc1nc[nH]c1CN1CCCC(F)(F)CC1 ZINC000702828910 994048767 /nfs/dbraw/zinc/04/87/67/994048767.db2.gz YPCDRDNHAJNSFN-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN Cc1cc(OCc2cnns2)cc(C)n1 ZINC001333148149 994426037 /nfs/dbraw/zinc/42/60/37/994426037.db2.gz ADIIYBMASXHXFP-UHFFFAOYSA-N 0 1 221.285 2.129 20 0 BEADMN CC(C)[C@@H](NCc1nnc[nH]1)c1ccccc1F ZINC001333607519 994483664 /nfs/dbraw/zinc/48/36/64/994483664.db2.gz ZLRQUEJOYZSDOL-CYBMUJFWSA-N 0 1 248.305 2.431 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)[C@H](C)C(C)(C)C ZINC001289119263 994487530 /nfs/dbraw/zinc/48/75/30/994487530.db2.gz FDUDDQRSABTERB-SRVKXCTJSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CCN1C)[C@H](C)C(C)(C)C ZINC001289119263 994487542 /nfs/dbraw/zinc/48/75/42/994487542.db2.gz FDUDDQRSABTERB-SRVKXCTJSA-N 0 1 240.391 2.125 20 0 BEADMN O=C(Nc1nccs1)c1cc(C(F)F)n[nH]1 ZINC001290299859 994533733 /nfs/dbraw/zinc/53/37/33/994533733.db2.gz OQMHESZSAGYZIK-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN Cc1cc(CCC(=O)N(CC2CC2)C(C)C)n[nH]1 ZINC001290812742 994563091 /nfs/dbraw/zinc/56/30/91/994563091.db2.gz MPORKOPDBIJSGA-UHFFFAOYSA-N 0 1 249.358 2.298 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC2(CCC2)C1 ZINC001294843329 994716322 /nfs/dbraw/zinc/71/63/22/994716322.db2.gz KIJFZMAAJGZIBK-UHFFFAOYSA-N 0 1 241.294 2.189 20 0 BEADMN C/C=C/C(=O)Nc1ccc(F)c(F)c1O ZINC001299046657 994968142 /nfs/dbraw/zinc/96/81/42/994968142.db2.gz NSDXEMRLGAGCTB-NSCUHMNNSA-N 0 1 213.183 2.185 20 0 BEADMN C[C@H](Nc1cccc(C2CC2)[nH+]1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365630 995041643 /nfs/dbraw/zinc/04/16/43/995041643.db2.gz CXEPLUZVHLWUCU-JMJZKYOTSA-N 0 1 246.310 2.480 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1nccn1C1CC1 ZINC001336808579 995107056 /nfs/dbraw/zinc/10/70/56/995107056.db2.gz VMORPQMZNAAZRN-STQMWFEESA-N 0 1 249.358 2.265 20 0 BEADMN CCCCCCN(C)CC(=O)N(CC)OCC ZINC001302622902 995123896 /nfs/dbraw/zinc/12/38/96/995123896.db2.gz TTZFASHGBHMBKU-UHFFFAOYSA-N 0 1 244.379 2.299 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2C[C@H]2C(C)C)[nH]1 ZINC001304108353 995188200 /nfs/dbraw/zinc/18/82/00/995188200.db2.gz UGRYTYBKDYBLAN-RYUDHWBXSA-N 0 1 249.358 2.441 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001304167009 995195774 /nfs/dbraw/zinc/19/57/74/995195774.db2.gz GVSXWOPRTGLLJS-URLYPYJESA-N 0 1 241.294 2.319 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)[nH]c2c1 ZINC001339056497 995249456 /nfs/dbraw/zinc/24/94/56/995249456.db2.gz SMOGTNRGYWJCOK-YUMQZZPRSA-N 0 1 233.246 2.168 20 0 BEADMN Cc1nnc(SCc2cncc(Cl)c2)[nH]1 ZINC001307284908 995312139 /nfs/dbraw/zinc/31/21/39/995312139.db2.gz OIVXIAFVOYYYMJ-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CCN(CC1=NOCC1)Cc1ccc(OC)cc1 ZINC001307417827 995350217 /nfs/dbraw/zinc/35/02/17/995350217.db2.gz OZQUROCDIVVGHA-UHFFFAOYSA-N 0 1 248.326 2.293 20 0 BEADMN Cc1ncsc1CCCN1CCSCC1 ZINC001307416640 995352011 /nfs/dbraw/zinc/35/20/11/995352011.db2.gz KZEBRJONJVSJRL-UHFFFAOYSA-N 0 1 242.413 2.433 20 0 BEADMN C[C@H](O)[C@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC001307720572 995444696 /nfs/dbraw/zinc/44/46/96/995444696.db2.gz GLKGBBSAZMSIBT-OBJOEFQTSA-N 0 1 237.318 2.326 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1CCC(F)(F)C1 ZINC001308034192 995531856 /nfs/dbraw/zinc/53/18/56/995531856.db2.gz CJWFMWLCNDDQSD-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN CCC[C@H]1CCCN1Cc1nc(C)no1 ZINC001308133410 995548449 /nfs/dbraw/zinc/54/84/49/995548449.db2.gz JKPJVHARTCWWCM-JTQLQIEISA-N 0 1 209.293 2.143 20 0 BEADMN C[C@@H](O)c1ccc(CNCc2cnsc2)cc1 ZINC001308224904 995600118 /nfs/dbraw/zinc/60/01/18/995600118.db2.gz OOHKRZKFBBKCAT-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001593718835 996240079 /nfs/dbraw/zinc/24/00/79/996240079.db2.gz CYYGQHKEGNLZAA-MJVIPROJSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CC1CCC1 ZINC001593723834 996260503 /nfs/dbraw/zinc/26/05/03/996260503.db2.gz AHXBHBOATYZXBH-QMMMGPOBSA-N 0 1 238.287 2.166 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)C1CCC1 ZINC001593733604 996318748 /nfs/dbraw/zinc/31/87/48/996318748.db2.gz IFPDPUZPPDEWLE-SSDOTTSWSA-N 0 1 240.328 2.387 20 0 BEADMN C[C@]1(C2CCCCC2)CC[N@H+]1CC(=O)[O-] ZINC001593993885 997286691 /nfs/dbraw/zinc/28/66/91/997286691.db2.gz ZNCFSDFDRWWPCG-GFCCVEGCSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)(CC[N@H+]1CCC[C@](C)(F)C1)C(=O)[O-] ZINC001594044774 997689983 /nfs/dbraw/zinc/68/99/83/997689983.db2.gz DYGRPBXIJRNPJO-LBPRGKRZSA-N 0 1 231.311 2.311 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC001594110466 998211238 /nfs/dbraw/zinc/21/12/38/998211238.db2.gz WPVPVDOJKGTTCI-VIFPVBQESA-N 0 1 235.283 2.376 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594113689 998229676 /nfs/dbraw/zinc/22/96/76/998229676.db2.gz RPOSUIHWJIAENY-POQQGIQPSA-N 0 1 249.354 2.241 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)[O-] ZINC001594270487 999045256 /nfs/dbraw/zinc/04/52/56/999045256.db2.gz VCKUSJOKUBNGNI-WZRBSPASSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594277112 999071789 /nfs/dbraw/zinc/07/17/89/999071789.db2.gz BVBDWQPKXLHXLW-GFQSEFKGSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H]1C ZINC001594387802 999467661 /nfs/dbraw/zinc/46/76/61/999467661.db2.gz NTFMIZVJJHZSKB-JGVFFNPUSA-N 0 1 240.328 2.387 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)CCc1cc(C)[nH]n1 ZINC001566930602 1170091762 /nfs/dbraw/zinc/09/17/62/1170091762.db2.gz AKTSCTSGRIFPFW-AAEUAGOBSA-N 0 1 249.358 2.440 20 0 BEADMN CC(C)=CC[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC001609682060 1170275828 /nfs/dbraw/zinc/27/58/28/1170275828.db2.gz MKVTWYXYKJGDBC-JTQLQIEISA-N 0 1 225.313 2.430 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001609829188 1170297679 /nfs/dbraw/zinc/29/76/79/1170297679.db2.gz ZCNQMPZQBZZJLC-SNVBAGLBSA-N 0 1 246.310 2.178 20 0 BEADMN CC1=C[C@@H](C)C[C@H](C[N@H+](C)[C@H](C)C(=O)[O-])C1 ZINC001609828831 1170296411 /nfs/dbraw/zinc/29/64/11/1170296411.db2.gz PMANARAYNPYRRA-JLLWLGSASA-N 0 1 225.332 2.384 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC001609828835 1170298685 /nfs/dbraw/zinc/29/86/85/1170298685.db2.gz PUTLXGSCTWHDBG-JTQLQIEISA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1C ZINC001609869406 1170302922 /nfs/dbraw/zinc/30/29/22/1170302922.db2.gz YCHXFXLHAXSHNL-PTRXPTGYSA-N 0 1 237.274 2.292 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001609964207 1170333030 /nfs/dbraw/zinc/33/30/30/1170333030.db2.gz XPFXIVBKERFULS-PWSUYJOCSA-N 0 1 231.311 2.454 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(F)C1 ZINC001609964205 1170332225 /nfs/dbraw/zinc/33/22/25/1170332225.db2.gz XPFXIVBKERFULS-JQWIXIFHSA-N 0 1 231.311 2.454 20 0 BEADMN CCCC[C@@H](SC[C@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC001609967209 1170332278 /nfs/dbraw/zinc/33/22/78/1170332278.db2.gz NSXSRLMKPHWMRQ-WDEREUQCSA-N 0 1 245.388 2.315 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001610075662 1170349280 /nfs/dbraw/zinc/34/92/80/1170349280.db2.gz SEOBSLXCVLMJJH-SECBINFHSA-N 0 1 241.262 2.084 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](F)C1 ZINC001610075662 1170349288 /nfs/dbraw/zinc/34/92/88/1170349288.db2.gz SEOBSLXCVLMJJH-SECBINFHSA-N 0 1 241.262 2.084 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)[C@@H]1C ZINC001610528968 1170384003 /nfs/dbraw/zinc/38/40/03/1170384003.db2.gz FRRCRJIVTLMNCF-GMXVVIOVSA-N 0 1 233.311 2.461 20 0 BEADMN C=C/C=C/CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC001610944680 1170425952 /nfs/dbraw/zinc/42/59/52/1170425952.db2.gz WJUGHQFJTXJRGA-FGEFZZPRSA-N 0 1 248.330 2.238 20 0 BEADMN Clc1ncsc1CSc1cn[nH]n1 ZINC001613578492 1170479417 /nfs/dbraw/zinc/47/94/17/1170479417.db2.gz YTWMKCZHKPVYJR-UHFFFAOYSA-N 0 1 232.721 2.207 20 0 BEADMN O=C(Nc1c[nH]nn1)c1cscc1C(F)F ZINC001616749612 1170565785 /nfs/dbraw/zinc/56/57/85/1170565785.db2.gz PXMIDBHUIXGHAL-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)[C@H]1C ZINC001616974296 1170573719 /nfs/dbraw/zinc/57/37/19/1170573719.db2.gz LCWLXNQAAQNFNE-SDDRHHMPSA-N 0 1 249.358 2.235 20 0 BEADMN CC[C@@H]1CCN(Cc2nccc(C)n2)[C@H]1C ZINC001617360035 1170587275 /nfs/dbraw/zinc/58/72/75/1170587275.db2.gz LALXZWSOHMSGDB-NWDGAFQWSA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nnnn2C2CC2)[C@@H]1C ZINC001617358586 1170590415 /nfs/dbraw/zinc/59/04/15/1170590415.db2.gz BIOFJCDIJLNQIN-OUAUKWLOSA-N 0 1 249.362 2.189 20 0 BEADMN Cc1ncc(CN2C[C@H]3CCCC[C@H]32)o1 ZINC001619823984 1170660850 /nfs/dbraw/zinc/66/08/50/1170660850.db2.gz MCOFLLVBIBIVGP-ZYHUDNBSSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1cc(CN2C[C@H]3CCCC[C@H]32)ncn1 ZINC001619818750 1170661594 /nfs/dbraw/zinc/66/15/94/1170661594.db2.gz IRGSCTQHIJCNKS-DGCLKSJQSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2cnccc2C)no1 ZINC000019221811 1170672593 /nfs/dbraw/zinc/67/25/93/1170672593.db2.gz UEEABLBCNCBYJG-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN C[C@H](c1ccccc1F)N(C)CCn1cnnc1 ZINC001620549745 1170680467 /nfs/dbraw/zinc/68/04/67/1170680467.db2.gz OEWMJFVFADXYBW-LLVKDONJSA-N 0 1 248.305 2.110 20 0 BEADMN FC(F)CCNCc1cc(C2CC2)no1 ZINC001621565003 1170856914 /nfs/dbraw/zinc/85/69/14/1170856914.db2.gz UNRGCWIHWGVQDO-UHFFFAOYSA-N 0 1 216.231 2.297 20 0 BEADMN CC(C)c1ncc(CNC(=O)OC2CCC2)[nH]1 ZINC001622611165 1170896446 /nfs/dbraw/zinc/89/64/46/1170896446.db2.gz BLWKNDYHNHJTMY-UHFFFAOYSA-N 0 1 237.303 2.312 20 0 BEADMN CCCn1c2ccc(F)cc2nc1CN ZINC000037439537 1170947866 /nfs/dbraw/zinc/94/78/66/1170947866.db2.gz JDVWOZCTUBAISM-UHFFFAOYSA-N 0 1 207.252 2.044 20 0 BEADMN CSc1ccccc1NC(=O)Cc1cnc[nH]1 ZINC001623799813 1170974199 /nfs/dbraw/zinc/97/41/99/1170974199.db2.gz VLTWMIRXJMGLDE-UHFFFAOYSA-N 0 1 247.323 2.313 20 0 BEADMN Cc1ccc(CNC(=O)c2[nH]ncc2F)c(C)c1 ZINC001624265870 1171033516 /nfs/dbraw/zinc/03/35/16/1171033516.db2.gz CAHFKRWNOUMOCC-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN C[C@@H](CF)NC(=O)c1ccc(Cl)c(O)c1 ZINC001625268688 1171089725 /nfs/dbraw/zinc/08/97/25/1171089725.db2.gz QUUVACDUISMTNJ-LURJTMIESA-N 0 1 231.654 2.133 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)c2[nH]ncc2F)cc1 ZINC001625303080 1171091544 /nfs/dbraw/zinc/09/15/44/1171091544.db2.gz WXCOCTWEPLGEEZ-VIFPVBQESA-N 0 1 247.273 2.348 20 0 BEADMN CC[C@H]1CCCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001625420872 1171101375 /nfs/dbraw/zinc/10/13/75/1171101375.db2.gz UDDJSGGFSOQQDJ-LBPRGKRZSA-N 0 1 249.358 2.299 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC2(C)C)n[nH]1 ZINC001629094970 1171283233 /nfs/dbraw/zinc/28/32/33/1171283233.db2.gz QBBJIBCZKXJBHY-UHFFFAOYSA-N 0 1 235.331 2.052 20 0 BEADMN COC(=O)[C@@H](C)N(C)C1CCC(C)CC1 ZINC000043628843 1171313296 /nfs/dbraw/zinc/31/32/96/1171313296.db2.gz QOGWLYDDZJEQKV-HSOILSAZSA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)CCN1CCN(C(=O)CC(C)C)CC1 ZINC000043686581 1171316802 /nfs/dbraw/zinc/31/68/02/1171316802.db2.gz FEVZZBWIQBGNDR-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@]1(C)CCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001631663216 1171468604 /nfs/dbraw/zinc/46/86/04/1171468604.db2.gz WDKJALTUXMZEJI-CQSZACIVSA-N 0 1 249.358 2.299 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)[C@@H](C)N(C)C ZINC001631679298 1171471494 /nfs/dbraw/zinc/47/14/94/1171471494.db2.gz GUHFMJYAUOVLLM-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001632115133 1171495933 /nfs/dbraw/zinc/49/59/33/1171495933.db2.gz ASBSLQSLTRBYQV-ZWNOBZJWSA-N 0 1 247.342 2.377 20 0 BEADMN C=C/C(C)=C/CC(=O)N(C)C1CN(CC2CC2)C1 ZINC001671157969 1171600179 /nfs/dbraw/zinc/60/01/79/1171600179.db2.gz XLUWQTFIRMPBJE-LFYBBSHMSA-N 0 1 248.370 2.061 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)C1CCCCCC1 ZINC001633720452 1171600105 /nfs/dbraw/zinc/60/01/05/1171600105.db2.gz XYIOYNPLVVEXHL-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](C(=O)NCc1cnc[nH]1)[C@H](C)C(C)(C)C ZINC001634073540 1171622655 /nfs/dbraw/zinc/62/26/55/1171622655.db2.gz DYIPDAMUKIAQNK-ZJUUUORDSA-N 0 1 237.347 2.344 20 0 BEADMN CCc1ncc(CNC(=O)[C@H](C)CC(C)C)[nH]1 ZINC001635610168 1171741623 /nfs/dbraw/zinc/74/16/23/1171741623.db2.gz DKVXKQQCCKSRRL-SNVBAGLBSA-N 0 1 237.347 2.271 20 0 BEADMN CCc1ncc(CNC(=O)[C@H](C)[C@H](C)CC)[nH]1 ZINC001635610302 1171739815 /nfs/dbraw/zinc/73/98/15/1171739815.db2.gz GTTRTZRBPIGHBQ-NXEZZACHSA-N 0 1 237.347 2.271 20 0 BEADMN CCc1ncc(CNC(=O)c2c(C)coc2C)[nH]1 ZINC001635610963 1171743487 /nfs/dbraw/zinc/74/34/87/1171743487.db2.gz YMUPZFVOAVONON-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CCN(CCOC)Cc1ccc(N)cc1Cl ZINC000049963245 1171755022 /nfs/dbraw/zinc/75/50/22/1171755022.db2.gz RVRIVVJRPLFDSC-UHFFFAOYSA-N 0 1 242.750 2.391 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000050565566 1171817473 /nfs/dbraw/zinc/81/74/73/1171817473.db2.gz HBGLRPWBUIIMAP-WDEREUQCSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@@H]1COCCN1C[C@](C)(O)c1ccccc1 ZINC000052097031 1171941743 /nfs/dbraw/zinc/94/17/43/1171941743.db2.gz IQGUPOQKMYDGEZ-CABCVRRESA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(F)F ZINC001637657503 1171950713 /nfs/dbraw/zinc/95/07/13/1171950713.db2.gz ZNPDZWBNEBPEKM-NXEZZACHSA-N 0 1 248.317 2.021 20 0 BEADMN C[C@H](NCC1=CCCOC1)c1ccc(F)cn1 ZINC000286912871 398135756 /nfs/dbraw/zinc/13/57/56/398135756.db2.gz FCRZIDXWHXJXTM-JTQLQIEISA-N 0 1 236.290 2.218 20 0 BEADMN CCN(CC(=O)N1CCC[C@@H](C)CC1)C1CC1 ZINC000136003162 398136547 /nfs/dbraw/zinc/13/65/47/398136547.db2.gz IRBLQIYBJXXBNO-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCOC(=O)CN(CC)C[C@@H]1CC=CCC1 ZINC000092399454 398138998 /nfs/dbraw/zinc/13/89/98/398138998.db2.gz ACLKHJFBLOBKFG-GFCCVEGCSA-N 0 1 225.332 2.228 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000266887251 538913851 /nfs/dbraw/zinc/91/38/51/538913851.db2.gz LKKWUVROFGCIGT-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN C[C@@H]1CCC[C@H](Cn2cc(CNC3CC3)nn2)C1 ZINC000385290519 398144544 /nfs/dbraw/zinc/14/45/44/398144544.db2.gz OWJQSYUBRUYMEN-NEPJUHHUSA-N 0 1 248.374 2.356 20 0 BEADMN C[C@H]1CCC[C@H](Cn2cc(CNC3CC3)nn2)C1 ZINC000385290529 398145281 /nfs/dbraw/zinc/14/52/81/398145281.db2.gz OWJQSYUBRUYMEN-RYUDHWBXSA-N 0 1 248.374 2.356 20 0 BEADMN c1nnsc1CN1C2CCCC1CCC2 ZINC000649323788 398145306 /nfs/dbraw/zinc/14/53/06/398145306.db2.gz AJNBVVSJUHITLR-UHFFFAOYSA-N 0 1 223.345 2.445 20 0 BEADMN CC(C)C[N@@H+](CCC(C)(C)C)CC(=O)[O-] ZINC000062742984 349491553 /nfs/dbraw/zinc/49/15/53/349491553.db2.gz CSSVLHSTGWFHSP-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN C[N@@H+](Cc1ccccc1OC1CC1)CC(C)(C)O ZINC000297511396 398145660 /nfs/dbraw/zinc/14/56/60/398145660.db2.gz NSYCVKPSHLDPEZ-UHFFFAOYSA-N 0 1 249.354 2.431 20 0 BEADMN C[C@H]1CC[C@@H](CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000621987460 370645071 /nfs/dbraw/zinc/64/50/71/370645071.db2.gz WDJOPDRWIZRKOD-WDEREUQCSA-N 0 1 249.358 2.240 20 0 BEADMN CCC(CC)(CO)CNCc1cscn1 ZINC000088176529 168327653 /nfs/dbraw/zinc/32/76/53/168327653.db2.gz XCRSNQNXEUXQAO-UHFFFAOYSA-N 0 1 228.361 2.031 20 0 BEADMN CCC(CC)(CO)NCc1nc2ccccc2o1 ZINC000605423006 343978902 /nfs/dbraw/zinc/97/89/02/343978902.db2.gz WGWPHBRCLUWQQZ-UHFFFAOYSA-N 0 1 248.326 2.469 20 0 BEADMN Cc1cc(CN2CCC(C)(C)CC2)nn1C ZINC000336709333 177986618 /nfs/dbraw/zinc/98/66/18/177986618.db2.gz WTJPAPSEFNXOEF-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN CC(C)C(C)(C)CNc1ccncc1C(N)=O ZINC000188475540 346815369 /nfs/dbraw/zinc/81/53/69/346815369.db2.gz HTWAYMOZWZDSPS-UHFFFAOYSA-N 0 1 235.331 2.275 20 0 BEADMN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1nccn1C ZINC000378718175 346815431 /nfs/dbraw/zinc/81/54/31/346815431.db2.gz DDWIODWGZAECQT-YIZRAAEISA-N 0 1 229.274 2.114 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000301002711 349508540 /nfs/dbraw/zinc/50/85/40/349508540.db2.gz WCDJOVFMRDCREI-SECBINFHSA-N 0 1 235.274 2.217 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000300992513 349498229 /nfs/dbraw/zinc/49/82/29/349498229.db2.gz UJVAPMXCUSCYKB-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN C[C@H](CCO)N(C)Cc1nc2ccccc2o1 ZINC000649866194 398148742 /nfs/dbraw/zinc/14/87/42/398148742.db2.gz MVKSEOWAPMIWBW-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN C[C@@H](NCCF)c1ccc([S@@](C)=O)cc1 ZINC000273059322 398148974 /nfs/dbraw/zinc/14/89/74/398148974.db2.gz ZTARUXYVNHKRNL-RFAUZJTJSA-N 0 1 229.320 2.044 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000378724578 346816262 /nfs/dbraw/zinc/81/62/62/346816262.db2.gz CQXLHHSFPKUEAD-FXAINCCUSA-N 0 1 225.311 2.270 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1csc(CC)n1 ZINC000274609052 398150363 /nfs/dbraw/zinc/15/03/63/398150363.db2.gz SODCBNSNHWDQQM-GFAPAMAISA-N 0 1 240.372 2.122 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@@H](C)C(F)F)CCO1 ZINC000389940688 398153180 /nfs/dbraw/zinc/15/31/80/398153180.db2.gz QHDBYMFSSPFKKC-XHNCKOQMSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@H](O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000649338814 398155771 /nfs/dbraw/zinc/15/57/71/398155771.db2.gz YXYURYXAKQIEBT-GWCFXTLKSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H](O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000649338816 398156066 /nfs/dbraw/zinc/15/60/66/398156066.db2.gz YXYURYXAKQIEBT-MFKMUULPSA-N 0 1 223.291 2.343 20 0 BEADMN COC[C@H]1CCCN(Cc2nc(C)c(C)o2)C1 ZINC000112990064 398156160 /nfs/dbraw/zinc/15/61/60/398156160.db2.gz IFTJVCZKSYSUHF-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN Cc1cc(CNC2(CCO)CCCCC2)no1 ZINC000353676918 178018255 /nfs/dbraw/zinc/01/82/55/178018255.db2.gz PIQGSMPUEJGHTR-UHFFFAOYSA-N 0 1 238.331 2.158 20 0 BEADMN CCCc1nc(C)c(CN(C)[C@@H](C)CCO)o1 ZINC000649870542 398158124 /nfs/dbraw/zinc/15/81/24/398158124.db2.gz CHVMVNFRDXXRAB-JTQLQIEISA-N 0 1 240.347 2.138 20 0 BEADMN CCC[C@H](CN[C@H](COC)c1ccco1)OC ZINC000638720537 398158277 /nfs/dbraw/zinc/15/82/77/398158277.db2.gz KBQVZUCVXRNYAE-VXGBXAGGSA-N 0 1 241.331 2.372 20 0 BEADMN Cc1cc(CNCCCOCC(C)C)no1 ZINC000309395646 178021328 /nfs/dbraw/zinc/02/13/28/178021328.db2.gz VGNXDEQLTMIYAQ-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN Cc1cc(CNCCc2ccccc2F)no1 ZINC000357222632 178023590 /nfs/dbraw/zinc/02/35/90/178023590.db2.gz GRJCIBFWJJXMQY-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN Cc1cc(CNCc2ccnn2C)ccc1F ZINC000067667234 178026224 /nfs/dbraw/zinc/02/62/24/178026224.db2.gz CEBQVXHWUXYJEM-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN Cc1cc(CNCc2ccsc2C)n(C)n1 ZINC000293268362 178026351 /nfs/dbraw/zinc/02/63/51/178026351.db2.gz NIEQBAOKMNQWID-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN CN1CCN(CC2(F)CC2)Cc2ccccc21 ZINC000527510326 398170318 /nfs/dbraw/zinc/17/03/18/398170318.db2.gz WXSNZOLHKUFWIY-UHFFFAOYSA-N 0 1 234.318 2.441 20 0 BEADMN Cc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)on1 ZINC000374598145 178036326 /nfs/dbraw/zinc/03/63/26/178036326.db2.gz WANNGKFHXNMLHI-STQMWFEESA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)no1 ZINC000340517160 178037261 /nfs/dbraw/zinc/03/72/61/178037261.db2.gz YWOVTDBZRXXAEF-XQQFMLRXSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CC[C@H](C)O2)nc1 ZINC000649904123 398174899 /nfs/dbraw/zinc/17/48/99/398174899.db2.gz LXLIBJFXEIHRGZ-JSGCOSHPSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CC[C@@H](C)O2)nc1 ZINC000649904124 398175065 /nfs/dbraw/zinc/17/50/65/398175065.db2.gz LXLIBJFXEIHRGZ-OCCSQVGLSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1nccc(CN2CC[C@]3(CC3(F)F)C2)n1 ZINC000649907839 398180980 /nfs/dbraw/zinc/18/09/80/398180980.db2.gz AOUDLDPKKVZGGP-NSHDSACASA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)c2cccs2)n[nH]1 ZINC000161597452 178057102 /nfs/dbraw/zinc/05/71/02/178057102.db2.gz GVCZOVFHEQTPQO-QMMMGPOBSA-N 0 1 249.339 2.141 20 0 BEADMN Cc1cc(Cc2nc(CCC3CC3)no2)[nH]n1 ZINC000274121873 178060145 /nfs/dbraw/zinc/06/01/45/178060145.db2.gz VBTMRVXZSWVBFI-UHFFFAOYSA-N 0 1 232.287 2.035 20 0 BEADMN COC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C ZINC000245436757 398164606 /nfs/dbraw/zinc/16/46/06/398164606.db2.gz DMYAYNAZHWNEFO-DGCLKSJQSA-N 0 1 233.311 2.385 20 0 BEADMN Cc1c(Cl)c(CNC[C@@H]2CC23CC3)nn1C ZINC000421380959 192323767 /nfs/dbraw/zinc/32/37/67/192323767.db2.gz KVOKCDSTMMQDAU-VIFPVBQESA-N 0 1 239.750 2.272 20 0 BEADMN CCc1nc(CNc2ncc(Cl)s2)n[nH]1 ZINC000649375944 398188425 /nfs/dbraw/zinc/18/84/25/398188425.db2.gz PHDXCJDIXOURPS-UHFFFAOYSA-N 0 1 243.723 2.089 20 0 BEADMN Cc1cc(F)ccc1CCNC(=O)C(F)(F)F ZINC000094819769 178083653 /nfs/dbraw/zinc/08/36/53/178083653.db2.gz YOMGIAPDUXHBNN-UHFFFAOYSA-N 0 1 249.207 2.355 20 0 BEADMN Cc1cc(N(C)CCO)c2cc(F)ccc2n1 ZINC000152865942 178098568 /nfs/dbraw/zinc/09/85/68/178098568.db2.gz DOWHTBKHFIKSAX-UHFFFAOYSA-N 0 1 234.274 2.111 20 0 BEADMN C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](C)C1 ZINC000334260299 398194601 /nfs/dbraw/zinc/19/46/01/398194601.db2.gz RMSNEUCBHOUGCT-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CC/C=C\CCN[C@H](C)c1nc(C)no1 ZINC000336748040 398196735 /nfs/dbraw/zinc/19/67/35/398196735.db2.gz CGYCOYBGZYUIFT-SSJHQANKSA-N 0 1 209.293 2.385 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](CSC)C1 ZINC000309324676 136218122 /nfs/dbraw/zinc/21/81/22/136218122.db2.gz HVGOIWHFBZKPMU-WDEREUQCSA-N 0 1 245.388 2.013 20 0 BEADMN CC/C=C\CCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000342201603 365539496 /nfs/dbraw/zinc/53/94/96/365539496.db2.gz CBYKVHNHOKVZQH-PKJDGDQJSA-N 0 1 247.404 2.096 20 0 BEADMN CCCN(C)[C@@H](CC(C)C)C(=O)OCC ZINC000182098787 136218893 /nfs/dbraw/zinc/21/88/93/136218893.db2.gz CLBROEOLUQTIFT-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cc1cc(N2CC[C@H](O)C2)c2cc(F)ccc2n1 ZINC000124493312 178119698 /nfs/dbraw/zinc/11/96/98/178119698.db2.gz MSCHBJYCPFOTRC-NSHDSACASA-N 0 1 246.285 2.253 20 0 BEADMN Cc1cc(NC(=O)CN(C(C)C)C(C)C)on1 ZINC000180450986 178129853 /nfs/dbraw/zinc/12/98/53/178129853.db2.gz WYQVWSNFJWDKFB-UHFFFAOYSA-N 0 1 239.319 2.040 20 0 BEADMN CC(C)=CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000293902319 398206039 /nfs/dbraw/zinc/20/60/39/398206039.db2.gz HIQQLWOLUCNBKH-WDEREUQCSA-N 0 1 205.305 2.445 20 0 BEADMN Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC000074684799 398207238 /nfs/dbraw/zinc/20/72/38/398207238.db2.gz WMOTVYYSAADRDC-NXEZZACHSA-N 0 1 221.304 2.121 20 0 BEADMN Cc1cc(NC([O-])=NOC2CCCC2)cc[nH+]1 ZINC000271857013 178141248 /nfs/dbraw/zinc/14/12/48/178141248.db2.gz SQGALTGBQUJLLE-UHFFFAOYSA-N 0 1 235.287 2.386 20 0 BEADMN CN(C)CC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273945884 538928474 /nfs/dbraw/zinc/92/84/74/538928474.db2.gz DWUVIADGZMFARK-CQSZACIVSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@@H](O)CCN(C)Cc1scnc1C1CC1 ZINC000494970246 538927351 /nfs/dbraw/zinc/92/73/51/538927351.db2.gz GFNXKWQPUXNGJP-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358675039 168344009 /nfs/dbraw/zinc/34/40/09/168344009.db2.gz IBQNWWBRIRBAOP-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN COc1ccc(CNCc2cc[nH]c2)cc1O ZINC000175704280 365578320 /nfs/dbraw/zinc/57/83/20/365578320.db2.gz FRUPGZPEECXIOK-UHFFFAOYSA-N 0 1 232.283 2.019 20 0 BEADMN Cc1cc(NC[C@@H](C)O)c2cc(F)ccc2n1 ZINC000119751277 178164566 /nfs/dbraw/zinc/16/45/66/178164566.db2.gz GJCCOAFKJMYOOU-SECBINFHSA-N 0 1 234.274 2.475 20 0 BEADMN CC(C)[C@@H](CO)[C@H](NCC(F)F)C(C)C ZINC000650026848 398222313 /nfs/dbraw/zinc/22/23/13/398222313.db2.gz ALIWSXCRDCRHML-MWLCHTKSSA-N 0 1 223.307 2.130 20 0 BEADMN Cc1nc(CN2C[C@@H](C)Cc3ccccc32)n[nH]1 ZINC000428216499 398222944 /nfs/dbraw/zinc/22/29/44/398222944.db2.gz PUFBQCPNGLENBB-JTQLQIEISA-N 0 1 242.326 2.312 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cc(C)nc(C)n2)[nH]n1 ZINC000133412484 178185795 /nfs/dbraw/zinc/18/57/95/178185795.db2.gz UVDJZCHTIAQXKM-MRVPVSSYSA-N 0 1 245.330 2.168 20 0 BEADMN CC(=O)N1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000075616566 398224165 /nfs/dbraw/zinc/22/41/65/398224165.db2.gz OXJUEAOVMAPHKF-ZDUSSCGKSA-N 0 1 246.354 2.220 20 0 BEADMN CC[C@H]1CN(Cc2cccn2C)C[C@H](CC)O1 ZINC000421392713 192328074 /nfs/dbraw/zinc/32/80/74/192328074.db2.gz RFTZYWODWOTVCZ-KBPBESRZSA-N 0 1 236.359 2.415 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000370501487 178203666 /nfs/dbraw/zinc/20/36/66/178203666.db2.gz WNPPQTRMBFQHFZ-PWSUYJOCSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000370501487 178203669 /nfs/dbraw/zinc/20/36/69/178203669.db2.gz WNPPQTRMBFQHFZ-PWSUYJOCSA-N 0 1 247.342 2.284 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000629877425 361749645 /nfs/dbraw/zinc/74/96/45/361749645.db2.gz MLNMKFAWLBHXPL-JDGPPOGSSA-N 0 1 247.342 2.157 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH+]2CCCCCC2)n1 ZINC000177911719 178203870 /nfs/dbraw/zinc/20/38/70/178203870.db2.gz YJFDZSWZOYJKIB-LLVKDONJSA-N 0 1 235.331 2.428 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000629876638 361751774 /nfs/dbraw/zinc/75/17/74/361751774.db2.gz KKMPZPMRKFREPN-IBPBTGAJSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2CC2(C)C)nn1C ZINC000282418035 178233458 /nfs/dbraw/zinc/23/34/58/178233458.db2.gz CQAYAUUNQCYVSK-KOLCDFICSA-N 0 1 207.321 2.178 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC000276672175 538932754 /nfs/dbraw/zinc/93/27/54/538932754.db2.gz UZJVAMNFCHURPX-NSHDSACASA-N 0 1 237.347 2.283 20 0 BEADMN Cc1sccc1CN1CC[C@]12CCOC2 ZINC000421403186 192331390 /nfs/dbraw/zinc/33/13/90/192331390.db2.gz NNHNZVPAZHISNW-GFCCVEGCSA-N 0 1 223.341 2.421 20 0 BEADMN COc1ccc(CN2CC[C@@]23CCOC3)cc1C ZINC000421404205 192331528 /nfs/dbraw/zinc/33/15/28/192331528.db2.gz YIECJTVXTBGHHP-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN CCC(CC)(CC)NC(=O)CCc1cnc[nH]1 ZINC000276506742 538932904 /nfs/dbraw/zinc/93/29/04/538932904.db2.gz APGFIFDMEOUQHR-UHFFFAOYSA-N 0 1 237.347 2.427 20 0 BEADMN Cc1cc([C@@H](C)NCC2(C)OCCO2)c(C)o1 ZINC000278877684 178222037 /nfs/dbraw/zinc/22/20/37/178222037.db2.gz XPOJVZVEQNCEMB-SNVBAGLBSA-N 0 1 239.315 2.310 20 0 BEADMN Cc1cc([C@@H](C)NCC2(O)CCCCC2)no1 ZINC000330373939 178222131 /nfs/dbraw/zinc/22/21/31/178222131.db2.gz BPDVFMNJNAHDRZ-LLVKDONJSA-N 0 1 238.331 2.329 20 0 BEADMN Cc1cc([C@@H](C)NCC[C@@H](O)C(C)C)no1 ZINC000330364674 178225346 /nfs/dbraw/zinc/22/53/46/178225346.db2.gz ULCMAPOEJPNUPK-ZYHUDNBSSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@@H](C)NCc2cn[nH]c2)c(C)o1 ZINC000038006095 178229356 /nfs/dbraw/zinc/22/93/56/178229356.db2.gz JAEZNSPXZFRQJR-SECBINFHSA-N 0 1 219.288 2.470 20 0 BEADMN CC(C)OCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118414190 398235101 /nfs/dbraw/zinc/23/51/01/398235101.db2.gz CJYPHWNLPHJBSZ-QWRGUYRKSA-N 0 1 217.378 2.237 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)CCc1cnc[nH]1 ZINC000280100041 538936722 /nfs/dbraw/zinc/93/67/22/538936722.db2.gz ZQPQXKKTKTXLHF-NSHDSACASA-N 0 1 237.347 2.237 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCC(C)(C)O)no1 ZINC000370118192 178240824 /nfs/dbraw/zinc/24/08/24/178240824.db2.gz ADSQDNIIRXFXRP-LBPRGKRZSA-N 0 1 238.331 2.281 20 0 BEADMN CCOC(=O)c1cc(CN(C)[C@H](C)CC)on1 ZINC000602441752 349527194 /nfs/dbraw/zinc/52/71/94/349527194.db2.gz ZGJMQWCIWCJESI-SECBINFHSA-N 0 1 240.303 2.082 20 0 BEADMN Cc1cc([C@H](C)NCC2(O)CCCCC2)no1 ZINC000330373940 178247350 /nfs/dbraw/zinc/24/73/50/178247350.db2.gz BPDVFMNJNAHDRZ-NSHDSACASA-N 0 1 238.331 2.329 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccco2)no1 ZINC000309464867 178249001 /nfs/dbraw/zinc/24/90/01/178249001.db2.gz PRXXOJKROURNTP-JTQLQIEISA-N 0 1 220.272 2.469 20 0 BEADMN Cc1cc([C@H](C)NCCc2cscn2)no1 ZINC000309361371 178249307 /nfs/dbraw/zinc/24/93/07/178249307.db2.gz AMXPOQJVONFZNI-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)C[S@@](C)=O)oc1C ZINC000282686991 178252477 /nfs/dbraw/zinc/25/24/77/178252477.db2.gz KACURVZHRNHVIW-XQJJYNOISA-N 0 1 243.372 2.314 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CSC2(C)C)nn1C ZINC000283891511 178256010 /nfs/dbraw/zinc/25/60/10/178256010.db2.gz FXJOFGPPVRQVIL-GXSJLCMTSA-N 0 1 239.388 2.273 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCCC[C@@H]2CO)no1 ZINC000330960469 178257586 /nfs/dbraw/zinc/25/75/86/178257586.db2.gz ASISALICRBRVBU-TUAOUCFPSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1nc(CN[C@H]2CC23CCCC3)[nH]c1C ZINC000566497121 323003141 /nfs/dbraw/zinc/00/31/41/323003141.db2.gz SIALUZNLQHDBFP-NSHDSACASA-N 0 1 219.332 2.449 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000629964793 361812392 /nfs/dbraw/zinc/81/23/92/361812392.db2.gz IPJGGAHUANHDRP-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc([C@H]2CCCN2CCC(C)(C)O)no1 ZINC000370118191 178265680 /nfs/dbraw/zinc/26/56/80/178265680.db2.gz ADSQDNIIRXFXRP-GFCCVEGCSA-N 0 1 238.331 2.281 20 0 BEADMN CCC(CC)CNC(=O)c1[nH]nc(C)c1C ZINC000265168262 168360668 /nfs/dbraw/zinc/36/06/68/168360668.db2.gz CPNGKKPEYYLBIS-UHFFFAOYSA-N 0 1 223.320 2.193 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)CCc1cnc[nH]1 ZINC000281355077 538938632 /nfs/dbraw/zinc/93/86/32/538938632.db2.gz XAESVYTZFGWRPP-JQWIXIFHSA-N 0 1 235.331 2.132 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)CCc1cnc[nH]1 ZINC000281355083 538938814 /nfs/dbraw/zinc/93/88/14/538938814.db2.gz XAESVYTZFGWRPP-ZYHUDNBSSA-N 0 1 235.331 2.132 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1CCC1 ZINC000576472963 365605400 /nfs/dbraw/zinc/60/54/00/365605400.db2.gz LTIGDLBYTJBDJG-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CN(CC(=O)N[C@@H]1CCC(C)(C)C1)C1CCC1 ZINC000629976177 361819623 /nfs/dbraw/zinc/81/96/23/361819623.db2.gz FDLPVPNRDGAPLJ-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc(CCN[C@@H](C)c2ncc[nH]2)cs1 ZINC000285519264 538941041 /nfs/dbraw/zinc/94/10/41/538941041.db2.gz DVVRVQJIHYIVJP-QMMMGPOBSA-N 0 1 236.344 2.068 20 0 BEADMN Cc1ccnc(NCCC[C@@H](C)CO)c1 ZINC000230146699 136227893 /nfs/dbraw/zinc/22/78/93/136227893.db2.gz NZPDTMHBGFUKFT-LLVKDONJSA-N 0 1 208.305 2.211 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)[C@H]1C ZINC000576492363 365611059 /nfs/dbraw/zinc/61/10/59/365611059.db2.gz GAFPVSUQORNVJZ-IUCAKERBSA-N 0 1 245.282 2.150 20 0 BEADMN Cc1coc(-c2cc(C(F)(F)F)n[nH]2)n1 ZINC000649444111 398245836 /nfs/dbraw/zinc/24/58/36/398245836.db2.gz CBFDRPGBHFDXRW-UHFFFAOYSA-N 0 1 217.150 2.392 20 0 BEADMN Cc1n[nH]cc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444231 398246677 /nfs/dbraw/zinc/24/66/77/398246677.db2.gz JJLLYWNHEFCMDI-UHFFFAOYSA-N 0 1 216.166 2.127 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286263144 538943694 /nfs/dbraw/zinc/94/36/94/538943694.db2.gz VAALHALDXVLWFZ-AAEUAGOBSA-N 0 1 245.326 2.448 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286263148 538943834 /nfs/dbraw/zinc/94/38/34/538943834.db2.gz VAALHALDXVLWFZ-WCQYABFASA-N 0 1 245.326 2.448 20 0 BEADMN CCc1cc(CN[C@@H]2CC[C@H]2SC)on1 ZINC000576631199 365642189 /nfs/dbraw/zinc/64/21/89/365642189.db2.gz RXGHMTZJRPTPPZ-GHMZBOCLSA-N 0 1 226.345 2.221 20 0 BEADMN CCC(CC)Cc1nc(C2(N)CCC2)no1 ZINC000339398533 168367999 /nfs/dbraw/zinc/36/79/99/168367999.db2.gz VTPUHBWOKFVKBR-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1nccn1CC)OC ZINC000381442244 398257773 /nfs/dbraw/zinc/25/77/73/398257773.db2.gz YRISSIUZHNOBAA-NEPJUHHUSA-N 0 1 239.363 2.054 20 0 BEADMN C[C@H]1[C@H](NC(=O)CCC(C)(C)C)CCC[N@H+]1C ZINC000343516740 136230902 /nfs/dbraw/zinc/23/09/02/136230902.db2.gz RLRUTCZEDXVYBB-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)C)n2)cc1 ZINC000028789768 178331473 /nfs/dbraw/zinc/33/14/73/178331473.db2.gz DSEMROGNSCTRLI-UHFFFAOYSA-N 0 1 244.298 2.375 20 0 BEADMN Cc1ccc(-c2n[nH]cc2CNCCF)cc1 ZINC000280826654 178332033 /nfs/dbraw/zinc/33/20/33/178332033.db2.gz WEAHXVIEEUPBBC-UHFFFAOYSA-N 0 1 233.290 2.444 20 0 BEADMN Cc1sccc1CNCc1cncn1C ZINC000292933687 398263906 /nfs/dbraw/zinc/26/39/06/398263906.db2.gz JFFQSRHMYCYWEH-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CCC(CC)N(CC)C(=O)c1cc(C)[nH]n1 ZINC000292367081 168371042 /nfs/dbraw/zinc/37/10/42/168371042.db2.gz YYZUEBINXDYODP-UHFFFAOYSA-N 0 1 223.320 2.369 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1ccon1 ZINC000077280690 168373851 /nfs/dbraw/zinc/37/38/51/168373851.db2.gz JIESDGSRBASKLY-UHFFFAOYSA-N 0 1 226.320 2.312 20 0 BEADMN CCC(CC)N(CCOC)Cc1ccon1 ZINC000077280690 168373853 /nfs/dbraw/zinc/37/38/53/168373853.db2.gz JIESDGSRBASKLY-UHFFFAOYSA-N 0 1 226.320 2.312 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)CC2(C)C)cc1 ZINC000270878060 178390172 /nfs/dbraw/zinc/39/01/72/178390172.db2.gz DOITUGHFVXFGNO-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CSC[C@H](C)NCc1cc(C2CC2)no1 ZINC000602553881 349595359 /nfs/dbraw/zinc/59/53/59/349595359.db2.gz WQHFMAUGCLNMHX-QMMMGPOBSA-N 0 1 226.345 2.393 20 0 BEADMN CCCCN(C)Cc1cc2n(n1)CCC2 ZINC000649474490 398273913 /nfs/dbraw/zinc/27/39/13/398273913.db2.gz GBHXFXCUXWJPFY-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN CCOC(=O)c1cccc(CN2CCC[C@H]2C)n1 ZINC000600120074 342676499 /nfs/dbraw/zinc/67/64/99/342676499.db2.gz ZNTWUVNAGSURHV-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN CC[C@H](C)N1CCO[C@H](c2ccco2)C1 ZINC000181137098 538960180 /nfs/dbraw/zinc/96/01/80/538960180.db2.gz BLJODMSZHXJVIG-JQWIXIFHSA-N 0 1 209.289 2.451 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)CN(C)C1CCC1 ZINC000629981768 361829293 /nfs/dbraw/zinc/82/92/93/361829293.db2.gz RTSXIFZNKJQDRH-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ncc(CNCCSCC(C)C)o1 ZINC000600142422 342689394 /nfs/dbraw/zinc/68/93/94/342689394.db2.gz MPTNYKYXWLYLSF-UHFFFAOYSA-N 0 1 228.361 2.462 20 0 BEADMN CC[C@](C)(NCCOC)c1nccs1 ZINC000053289758 346858497 /nfs/dbraw/zinc/85/84/97/346858497.db2.gz OYDAABGGSMXCJW-JTQLQIEISA-N 0 1 214.334 2.004 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC1CCCC1 ZINC000650501219 398275104 /nfs/dbraw/zinc/27/51/04/398275104.db2.gz SQMFOFBDVONYAX-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN CC[C@@H](CSC)NCc1ncc(C)o1 ZINC000602578674 349607844 /nfs/dbraw/zinc/60/78/44/349607844.db2.gz PKDOUUBXRFCRQL-VIFPVBQESA-N 0 1 214.334 2.214 20 0 BEADMN COC[C@H](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000649477509 398275540 /nfs/dbraw/zinc/27/55/40/398275540.db2.gz SBFQGQWZQSUNHX-SSDOTTSWSA-N 0 1 238.312 2.222 20 0 BEADMN CC[C@H](NC(=O)C1(N(C)C)CC1)[C@H]1CC1(C)C ZINC000616339286 342717797 /nfs/dbraw/zinc/71/77/97/342717797.db2.gz FPEWTGQYNQTNEQ-MNOVXSKESA-N 0 1 238.375 2.022 20 0 BEADMN CCOC(=O)c1cccc(CNCC=C(C)C)n1 ZINC000600154653 342692360 /nfs/dbraw/zinc/69/23/60/342692360.db2.gz GFZSZEUJVBWJPJ-UHFFFAOYSA-N 0 1 248.326 2.314 20 0 BEADMN CS[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000600160278 342693292 /nfs/dbraw/zinc/69/32/92/342693292.db2.gz ANYDZAYJFIXOSD-LLVKDONJSA-N 0 1 238.356 2.489 20 0 BEADMN CCCC[C@H](C)N(C)CC(=O)OCC ZINC000308654730 342693616 /nfs/dbraw/zinc/69/36/16/342693616.db2.gz MUSDDIFUHHFZEF-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCc1oc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1C(=O)OC ZINC000600192375 342698371 /nfs/dbraw/zinc/69/83/71/342698371.db2.gz QMLZPDRWZJBJDS-AOOOYVTPSA-N 0 1 249.310 2.080 20 0 BEADMN CCc1oc(CN2C[C@@H]3C[C@@H]3C2)cc1C(=O)OC ZINC000600192375 342698372 /nfs/dbraw/zinc/69/83/72/342698372.db2.gz QMLZPDRWZJBJDS-AOOOYVTPSA-N 0 1 249.310 2.080 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccc(C)cc1 ZINC000650516953 398277567 /nfs/dbraw/zinc/27/75/67/398277567.db2.gz RZPGCZQYTQTHJR-ZDUSSCGKSA-N 0 1 235.327 2.333 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C ZINC000339568531 168383510 /nfs/dbraw/zinc/38/35/10/168383510.db2.gz XZBTURABHCCREV-VWYCJHECSA-N 0 1 226.364 2.020 20 0 BEADMN C[C@H]1CCC[C@H]1CNC(=O)CN(C)C1CCC1 ZINC000629989310 361876457 /nfs/dbraw/zinc/87/64/57/361876457.db2.gz RWRQGOYBMHHBQH-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN COC[C@H](N[C@H](C)c1cc(C)on1)C(C)C ZINC000309625207 342760568 /nfs/dbraw/zinc/76/05/68/342760568.db2.gz GFFWGUHGBLOIQP-PWSUYJOCSA-N 0 1 226.320 2.305 20 0 BEADMN OCC[C@@H](NCC(F)F)C1CCCCC1 ZINC000183712433 538967720 /nfs/dbraw/zinc/96/77/20/538967720.db2.gz KBAGPTQMLIEDMN-SNVBAGLBSA-N 0 1 221.291 2.172 20 0 BEADMN CCCc1cc(C(=O)N2CCCC3(CC3)C2)n[nH]1 ZINC000184094846 538967879 /nfs/dbraw/zinc/96/78/79/538967879.db2.gz CLYOYWVRCZYTTD-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN C[C@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC000630003195 361886433 /nfs/dbraw/zinc/88/64/33/361886433.db2.gz WEUVLLJHCNHGLK-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC000630016669 361898577 /nfs/dbraw/zinc/89/85/77/361898577.db2.gz IYNNVTBLNXPTGI-CQSZACIVSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1noc(C[N@@H+]2CC[C@H](CC(C)C)C2)n1 ZINC000074994345 342791144 /nfs/dbraw/zinc/79/11/44/342791144.db2.gz SQUZBTCCVGWXBQ-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1noc(CN2CC[C@H](CC(C)C)C2)n1 ZINC000074994345 342791146 /nfs/dbraw/zinc/79/11/46/342791146.db2.gz SQUZBTCCVGWXBQ-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN CCN1CC2(CCCC2)[N@H+](CC)C[C@@H]1C ZINC000336265104 342795479 /nfs/dbraw/zinc/79/54/79/342795479.db2.gz YRFJIAHWNFFBMU-LBPRGKRZSA-N 0 1 210.365 2.345 20 0 BEADMN Cc1cccc(-n2[nH]c3c(c2=O)CSCC3)c1 ZINC000634582811 342799710 /nfs/dbraw/zinc/79/97/10/342799710.db2.gz BXZQXJFSHWWJAM-LLVKDONJSA-N 0 1 246.335 2.451 20 0 BEADMN Cc1cccc(-n2[nH]c3c(c2=O)CSCC3)c1 ZINC000634582812 342799732 /nfs/dbraw/zinc/79/97/32/342799732.db2.gz BXZQXJFSHWWJAM-NSHDSACASA-N 0 1 246.335 2.451 20 0 BEADMN Cc1ccc(-n2[nH]c([C@@H]3CCOC3)cc2=O)cc1 ZINC000634583043 342800206 /nfs/dbraw/zinc/80/02/06/342800206.db2.gz KARSLYASNVSUKN-LLVKDONJSA-N 0 1 244.294 2.124 20 0 BEADMN Cc1nnc(CN2CCCC(C)(C)CC2)n1C ZINC000127011047 342812536 /nfs/dbraw/zinc/81/25/36/342812536.db2.gz NNQDIUSVJXFNBB-UHFFFAOYSA-N 0 1 236.363 2.136 20 0 BEADMN C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)N=C12 ZINC000634583814 342814581 /nfs/dbraw/zinc/81/45/81/342814581.db2.gz IXTJBLRNPUVVDQ-JQWIXIFHSA-N 0 1 228.295 2.431 20 0 BEADMN C[C@H]1CCc2c(=O)n(Cc3ccccc3)[nH]c21 ZINC000634583814 342814582 /nfs/dbraw/zinc/81/45/82/342814582.db2.gz IXTJBLRNPUVVDQ-JQWIXIFHSA-N 0 1 228.295 2.431 20 0 BEADMN c1nc2c(ncnc2N2CCCC3(CC3)CC2)[nH]1 ZINC000624720908 342822067 /nfs/dbraw/zinc/82/20/67/342822067.db2.gz SRJPBCYXENRJDK-UHFFFAOYSA-N 0 1 243.314 2.123 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1cnc[nH]1 ZINC000188566331 538979436 /nfs/dbraw/zinc/97/94/36/538979436.db2.gz DMUAXHUOXBAGJV-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H](C)[C@H]1C ZINC000335464533 398289651 /nfs/dbraw/zinc/28/96/51/398289651.db2.gz VFWTYPGISNJNEN-OLZOCXBDSA-N 0 1 234.343 2.042 20 0 BEADMN Cc1nc([C@H](C)N[C@H](C)C(C)(C)O)cs1 ZINC000380123886 538986077 /nfs/dbraw/zinc/98/60/77/538986077.db2.gz REDUHVJEDSZGJN-JGVFFNPUSA-N 0 1 228.361 2.262 20 0 BEADMN FC1(F)CCC[C@@H]1NCC[C@@H]1CCOC1 ZINC000380176842 538986763 /nfs/dbraw/zinc/98/67/63/538986763.db2.gz KFBVKOVKXCZSGB-ZJUUUORDSA-N 0 1 219.275 2.190 20 0 BEADMN Cc1noc([C@@H](C)NCCC2CCC2)n1 ZINC000380337347 538989290 /nfs/dbraw/zinc/98/92/90/538989290.db2.gz QKCPWURXEAEOIL-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CC1=CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335622322 136240192 /nfs/dbraw/zinc/24/01/92/136240192.db2.gz NYJYYLVWCNLRDI-LBPRGKRZSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000189179378 538980805 /nfs/dbraw/zinc/98/08/05/538980805.db2.gz TXKSVKYAEYCUMX-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN OC[C@H](CC1CC1)NCc1ncc(Cl)s1 ZINC000379915779 538981492 /nfs/dbraw/zinc/98/14/92/538981492.db2.gz BYFULKRNFDKVOL-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H](CCC(F)(F)F)NCc1cocn1 ZINC000379968856 538983209 /nfs/dbraw/zinc/98/32/09/538983209.db2.gz HWFSJAKQJNECJG-ZETCQYMHSA-N 0 1 222.210 2.495 20 0 BEADMN CCCC1(CNC(=O)CCc2cnc[nH]2)CCC1 ZINC000189503767 538983359 /nfs/dbraw/zinc/98/33/59/538983359.db2.gz ZWHGPAXTMBRQQF-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CC(C)[C@@H](CO)CN[C@H](C)c1cscn1 ZINC000380017427 538983904 /nfs/dbraw/zinc/98/39/04/538983904.db2.gz NKVACRHRYPWUFO-NXEZZACHSA-N 0 1 228.361 2.058 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCc1cn[nH]c1C ZINC000341794808 168397737 /nfs/dbraw/zinc/39/77/37/168397737.db2.gz BZQVAZPAHWNSQP-SECBINFHSA-N 0 1 237.347 2.407 20 0 BEADMN C[C@H](N[C@H]1CCC(F)(F)C1)c1nccn1C ZINC000381510502 539002562 /nfs/dbraw/zinc/00/25/62/539002562.db2.gz QVIPCQRZONEAHB-IUCAKERBSA-N 0 1 229.274 2.259 20 0 BEADMN CC[C@H](C)c1nc([C@@H](C)NC2CSC2)n[nH]1 ZINC000381573014 539003994 /nfs/dbraw/zinc/00/39/94/539003994.db2.gz YHYCKKFYJNCPNY-JGVFFNPUSA-N 0 1 240.376 2.084 20 0 BEADMN CCN(Cc1nc(C)c(C)o1)C[C@@H]1CCOC1 ZINC000069173031 342837819 /nfs/dbraw/zinc/83/78/19/342837819.db2.gz DYFJJIKUZIUKET-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000193386894 539005296 /nfs/dbraw/zinc/00/52/96/539005296.db2.gz YMRMBWNAAJTKSI-CQSZACIVSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1cc(F)cc(NC(=O)CCc2cnc[nH]2)c1 ZINC000193607731 539007011 /nfs/dbraw/zinc/00/70/11/539007011.db2.gz JQSVBZGNBUHDNW-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000193664386 539007817 /nfs/dbraw/zinc/00/78/17/539007817.db2.gz AWCROZICEUCHHA-VXGBXAGGSA-N 0 1 249.358 2.237 20 0 BEADMN C/C=C/CN[C@@H](c1nccn1C)C1CC1 ZINC000624198390 342835510 /nfs/dbraw/zinc/83/55/10/342835510.db2.gz NSNVYEUUYDXYOA-PGLGOXFNSA-N 0 1 205.305 2.037 20 0 BEADMN CCCN(C)CC(=O)Nc1csc(C)c1 ZINC000634424684 361948783 /nfs/dbraw/zinc/94/87/83/361948783.db2.gz GMYFHURBDVDJKH-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN Cc1noc([C@@H](C)NC[C@]2(C)CCCS2)n1 ZINC000390505934 539022926 /nfs/dbraw/zinc/02/29/26/539022926.db2.gz XAYRBXUQPVLVSL-KCJUWKMLSA-N 0 1 241.360 2.314 20 0 BEADMN CC[C@H](CN(C)CC(=O)N(C)C)c1ccccc1 ZINC000349585525 398298562 /nfs/dbraw/zinc/29/85/62/398298562.db2.gz OMRUIMPLCDIYIM-CYBMUJFWSA-N 0 1 248.370 2.200 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)CC1CCCC1 ZINC000649501464 398299044 /nfs/dbraw/zinc/29/90/44/398299044.db2.gz KGLZLWFIWXMLSP-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CC[C@H]2C2CC2)n1 ZINC000449481689 398300681 /nfs/dbraw/zinc/30/06/81/398300681.db2.gz VALIYIRGEQAHHK-ONGXEEELSA-N 0 1 239.750 2.352 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])C(C)(C)C ZINC000308370367 346867647 /nfs/dbraw/zinc/86/76/47/346867647.db2.gz BGZVBTXHENGAMT-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cncc(OC)n1 ZINC000625065745 342848008 /nfs/dbraw/zinc/84/80/08/342848008.db2.gz QPVIEYVHPCSHSX-GFCCVEGCSA-N 0 1 235.331 2.250 20 0 BEADMN CCCN(Cc1cc2n(n1)CCC2)C1CC1 ZINC000649509115 398301898 /nfs/dbraw/zinc/30/18/98/398301898.db2.gz ORRLTEXTCSAOMM-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN FC(F)OC[C@H]1CCN(Cc2ccco2)C1 ZINC000348872202 136242755 /nfs/dbraw/zinc/24/27/55/136242755.db2.gz ZUYFFENJNINQPP-VIFPVBQESA-N 0 1 231.242 2.341 20 0 BEADMN CC1(C)CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000134432656 342853346 /nfs/dbraw/zinc/85/33/46/342853346.db2.gz FZOZAJQXIIDVAT-SNVBAGLBSA-N 0 1 247.342 2.088 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)c2cccs2)n[nH]1 ZINC000335647132 136244059 /nfs/dbraw/zinc/24/40/59/136244059.db2.gz IBFBCWGWVVXEJR-WDDATRMLSA-N 0 1 241.341 2.043 20 0 BEADMN C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000335644730 136243603 /nfs/dbraw/zinc/24/36/03/136243603.db2.gz UPGHMTYLBHTYBK-YPMHNXCESA-N 0 1 221.348 2.431 20 0 BEADMN COC(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352174957 398316492 /nfs/dbraw/zinc/31/64/92/398316492.db2.gz DRJBKWHZURONES-SNVBAGLBSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000336481429 398320255 /nfs/dbraw/zinc/32/02/55/398320255.db2.gz CKRAZZJGVJPLAN-GFCCVEGCSA-N 0 1 241.237 2.105 20 0 BEADMN CCSCC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233827793 342912961 /nfs/dbraw/zinc/91/29/61/342912961.db2.gz ICCKTGVPXFWLDO-LBPRGKRZSA-N 0 1 245.388 2.172 20 0 BEADMN CCn1[nH]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000634584771 342901095 /nfs/dbraw/zinc/90/10/95/342901095.db2.gz MRGSDJWHFRNJHM-UWVGGRQHSA-N 0 1 208.305 2.277 20 0 BEADMN Cc1csc([C@H](C)N[C@@H](C)C2(CO)CC2)n1 ZINC000624012103 346874763 /nfs/dbraw/zinc/87/47/63/346874763.db2.gz RREIZZGKHJVNIU-UWVGGRQHSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000260005306 349639161 /nfs/dbraw/zinc/63/91/61/349639161.db2.gz KCTMNJHRHDDJMJ-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cc(C(=O)CN(C)CC(C)C)c(C)[nH]1 ZINC000037335728 342927192 /nfs/dbraw/zinc/92/71/92/342927192.db2.gz RTKOBQPVGFFKPI-UHFFFAOYSA-N 0 1 222.332 2.402 20 0 BEADMN CCN(CC(=O)c1cccn1C)CC(C)C ZINC000037336327 342927221 /nfs/dbraw/zinc/92/72/21/342927221.db2.gz CVMBTTBHMPYAIH-UHFFFAOYSA-N 0 1 222.332 2.186 20 0 BEADMN C[C@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C1(C)CC1 ZINC000625218809 342918793 /nfs/dbraw/zinc/91/87/93/342918793.db2.gz ZWVVXIZIGBAJNZ-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1 ZINC000037374397 342928697 /nfs/dbraw/zinc/92/86/97/342928697.db2.gz ULCYLBUZGFAARW-NSHDSACASA-N 0 1 225.263 2.121 20 0 BEADMN COc1ccc(F)c(CN2CC[C@@H](OC)C2)c1 ZINC000351620133 136248213 /nfs/dbraw/zinc/24/82/13/136248213.db2.gz NLFMZQHJXCXWOY-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN CC(C)(C)Cn1[nH]c(C2CCC2)cc1=O ZINC000634587972 342933053 /nfs/dbraw/zinc/93/30/53/342933053.db2.gz FJFOSBZJDGJNOK-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN CC(C)(C)Cn1[nH]c(C[C@H]2CCCO2)cc1=O ZINC000634587966 342933152 /nfs/dbraw/zinc/93/31/52/342933152.db2.gz FHHYDGXPMJWOCT-LLVKDONJSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)[C@H](C)[C@@H](C)O1 ZINC000351654292 136249666 /nfs/dbraw/zinc/24/96/66/136249666.db2.gz YEYILNKHOHTYHH-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NCc1cn[nH]c1C ZINC000308094178 529453968 /nfs/dbraw/zinc/45/39/68/529453968.db2.gz XEOKCCAOOUYNHR-NSHDSACASA-N 0 1 237.347 2.407 20 0 BEADMN COC(=O)c1cc(CN2CCC=C(C)C2)[nH]c1C ZINC000602647074 349657532 /nfs/dbraw/zinc/65/75/32/349657532.db2.gz WPWCXFYLROKRMT-UHFFFAOYSA-N 0 1 248.326 2.262 20 0 BEADMN COC(=O)c1[nH]c(CN2CCC=C(C)C2)cc1C ZINC000602647052 349657616 /nfs/dbraw/zinc/65/76/16/349657616.db2.gz WCSSHFKVKMVNKS-UHFFFAOYSA-N 0 1 248.326 2.262 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@H]2C)[nH]c1C ZINC000602648845 349658641 /nfs/dbraw/zinc/65/86/41/349658641.db2.gz OCGJMHBFDWEICE-RKDXNWHRSA-N 0 1 236.315 2.092 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000628155004 398336215 /nfs/dbraw/zinc/33/62/15/398336215.db2.gz NHCSSOYDUSXHNU-VXGBXAGGSA-N 0 1 219.332 2.483 20 0 BEADMN CC1=NN(Cc2ccc(F)c(F)c2)C(=O)[C@@H]1C ZINC000634591299 342940235 /nfs/dbraw/zinc/94/02/35/342940235.db2.gz YDESNSTXNGGFCQ-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2ccc(F)c(F)c2)c(=O)c1C ZINC000634591299 342940236 /nfs/dbraw/zinc/94/02/36/342940236.db2.gz YDESNSTXNGGFCQ-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1cc(CN2CCC3(CCC3)C2)no1 ZINC000123518027 398338330 /nfs/dbraw/zinc/33/83/30/398338330.db2.gz QFIKOTPMNQHLOK-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCC(CC)(CC)[S@@](=O)Cc1n[nH]c(C)n1 ZINC000427481711 398338778 /nfs/dbraw/zinc/33/87/78/398338778.db2.gz VQFTVRFMOFGZJE-INIZCTEOSA-N 0 1 243.376 2.331 20 0 BEADMN C[C@H]1CCc2c(=O)n(CC3CCCC3)[nH]c21 ZINC000634592133 342942969 /nfs/dbraw/zinc/94/29/69/342942969.db2.gz ZHAJTCZXEPIQOX-GXSJLCMTSA-N 0 1 220.316 2.421 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CC3CCCC3)[nH]c21 ZINC000634592134 342942974 /nfs/dbraw/zinc/94/29/74/342942974.db2.gz ZHAJTCZXEPIQOX-KOLCDFICSA-N 0 1 220.316 2.421 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCCCCC2)cc1 ZINC000228072849 398340872 /nfs/dbraw/zinc/34/08/72/398340872.db2.gz VJMAHXQNOKEJQB-AWEZNQCLSA-N 0 1 246.354 2.397 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CO1 ZINC000335425315 398341421 /nfs/dbraw/zinc/34/14/21/398341421.db2.gz JEAYCWDSYZXOGC-LDYMZIIASA-N 0 1 227.254 2.232 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(-c2ccncc2)[nH]1 ZINC000634591831 342943854 /nfs/dbraw/zinc/94/38/54/342943854.db2.gz PKBZUUCBCQFQOC-SECBINFHSA-N 0 1 217.272 2.220 20 0 BEADMN CSC[C@H]1CCCN1Cc1ncc(C)o1 ZINC000135463544 398342082 /nfs/dbraw/zinc/34/20/82/398342082.db2.gz JTFUSXGMQVICFP-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN COC(=O)c1[nH]c(CN2CC[C@@H]2C2CC2)cc1C ZINC000602679192 349671960 /nfs/dbraw/zinc/67/19/60/349671960.db2.gz PDFLEFSLAYATKJ-GFCCVEGCSA-N 0 1 248.326 2.094 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635650233 398344185 /nfs/dbraw/zinc/34/41/85/398344185.db2.gz WIYHWQHXBJARIN-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CCc3ccccc3)[nH]c21 ZINC000634592170 342946117 /nfs/dbraw/zinc/94/61/17/342946117.db2.gz AKRAYAMUWVXPNS-YPMHNXCESA-N 0 1 242.322 2.473 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602668731 349685450 /nfs/dbraw/zinc/68/54/50/349685450.db2.gz FFDHFEGTYJAVFS-LLVKDONJSA-N 0 1 236.315 2.094 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nc(C2CC2)nn1C ZINC000516924370 259333739 /nfs/dbraw/zinc/33/37/39/259333739.db2.gz KZBJIFHIXXXXBX-ZYHUDNBSSA-N 0 1 248.374 2.313 20 0 BEADMN Cc1[nH]n(-c2ccc(F)c(F)c2F)c(=O)c1C ZINC000634594659 342956324 /nfs/dbraw/zinc/95/63/24/342956324.db2.gz CEYKYFKLLMQKIR-RXMQYKEDSA-N 0 1 242.200 2.463 20 0 BEADMN CC(C)c1cc(CN[C@H]2COC(C)(C)C2)on1 ZINC000669540456 488191300 /nfs/dbraw/zinc/19/13/00/488191300.db2.gz OTBWWXJEDXJRTN-SNVBAGLBSA-N 0 1 238.331 2.455 20 0 BEADMN COc1ccc(Cn2[nH]c(C3CC3)cc2=O)cc1 ZINC000634597395 342973832 /nfs/dbraw/zinc/97/38/32/342973832.db2.gz ITPICVAOHPNFRH-UHFFFAOYSA-N 0 1 244.294 2.194 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634597728 342975352 /nfs/dbraw/zinc/97/53/52/342975352.db2.gz SFOSUXQRRGVYDD-WEDXCCLWSA-N 0 1 206.289 2.029 20 0 BEADMN CC1=NN(Cc2cc(F)ccc2F)C(=O)[C@H]1C ZINC000634596255 342966097 /nfs/dbraw/zinc/96/60/97/342966097.db2.gz AJBDYRCJNMARED-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2cc(F)ccc2F)c(=O)c1C ZINC000634596255 342966098 /nfs/dbraw/zinc/96/60/98/342966098.db2.gz AJBDYRCJNMARED-ZETCQYMHSA-N 0 1 238.237 2.319 20 0 BEADMN CSC1CCN(Cc2cncs2)CC1 ZINC000602726261 349715784 /nfs/dbraw/zinc/71/57/84/349715784.db2.gz PHYPPJHPQYSDDZ-UHFFFAOYSA-N 0 1 228.386 2.471 20 0 BEADMN CSC1CCN(Cc2conc2C)CC1 ZINC000602727418 349716526 /nfs/dbraw/zinc/71/65/26/349716526.db2.gz RMXCAYNWPHIGHE-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN COCCc1cc(=O)n([C@@H](C)c2ccccc2)[nH]1 ZINC000634599120 342987161 /nfs/dbraw/zinc/98/71/61/342987161.db2.gz ATNSTDGQJFTWCX-NSHDSACASA-N 0 1 246.310 2.372 20 0 BEADMN Cc1[n-]n(C2CCC(C)CC2)c(=O)c1C ZINC000634599332 342987638 /nfs/dbraw/zinc/98/76/38/342987638.db2.gz GEHKJZOTAZGZSB-YUCVTWSNSA-N 0 1 208.305 2.419 20 0 BEADMN Cc1[nH]n(C2CCC(C)CC2)c(=O)c1C ZINC000634599332 342987641 /nfs/dbraw/zinc/98/76/41/342987641.db2.gz GEHKJZOTAZGZSB-YUCVTWSNSA-N 0 1 208.305 2.419 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(F)cc2F)[nH]1 ZINC000634601065 342995633 /nfs/dbraw/zinc/99/56/33/342995633.db2.gz BNFDOZYAVBUBNA-UHFFFAOYSA-N 0 1 238.237 2.463 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000048445851 343000829 /nfs/dbraw/zinc/00/08/29/343000829.db2.gz NATQXYNJVPTYGC-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN Cc1oc(C[N@@H+]2CCC[C@H]2C)cc1C(=O)[O-] ZINC000037911363 343001976 /nfs/dbraw/zinc/00/19/76/343001976.db2.gz QIGMUUSBRMOCRQ-MRVPVSSYSA-N 0 1 223.272 2.271 20 0 BEADMN CCN(C#N)CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000602780439 349745721 /nfs/dbraw/zinc/74/57/21/349745721.db2.gz UNVDUGOAOFRBSL-HIFRSBDPSA-N 0 1 243.354 2.482 20 0 BEADMN CCN(C#N)CCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000602780437 349745889 /nfs/dbraw/zinc/74/58/89/349745889.db2.gz UNVDUGOAOFRBSL-DZGCQCFKSA-N 0 1 243.354 2.482 20 0 BEADMN O=c1c2c([nH]n1Cc1ccccc1F)CCC2 ZINC000634607693 343003717 /nfs/dbraw/zinc/00/37/17/343003717.db2.gz FPVHNGJZEJAEBY-SNVBAGLBSA-N 0 1 232.258 2.324 20 0 BEADMN O=c1cc(C2CC2)[nH]n1Cc1ccccc1F ZINC000634608352 343004218 /nfs/dbraw/zinc/00/42/18/343004218.db2.gz ZQQNCMPYFFNRKZ-UHFFFAOYSA-N 0 1 232.258 2.324 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccncc3Cl)[nH]c21 ZINC000634608621 343004412 /nfs/dbraw/zinc/00/44/12/343004412.db2.gz IAOWPLJLSGMSSJ-HTQZYQBOSA-N 0 1 249.701 2.484 20 0 BEADMN CCCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000335902223 136259692 /nfs/dbraw/zinc/25/96/92/136259692.db2.gz VROSUXAFCIQRFA-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@@H]1C(C)=NN(c2cccc(OC)n2)C1=O ZINC000634611600 343008710 /nfs/dbraw/zinc/00/87/10/343008710.db2.gz YUNYTHDMBCQLHF-SNVBAGLBSA-N 0 1 247.298 2.229 20 0 BEADMN Cc1[nH]n(CCc2ccccc2F)c(=O)c1C ZINC000634611957 343008768 /nfs/dbraw/zinc/00/87/68/343008768.db2.gz JRQGSINXVVUNKH-SECBINFHSA-N 0 1 234.274 2.222 20 0 BEADMN CCN(C#N)CCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000602821509 349762100 /nfs/dbraw/zinc/76/21/00/349762100.db2.gz NYRYEGIIXIEQOZ-VHSXEESVSA-N 0 1 249.280 2.062 20 0 BEADMN COc1cccc(C2=NN(C3CC3)C(=O)[C@H]2C)c1 ZINC000634618465 343016143 /nfs/dbraw/zinc/01/61/43/343016143.db2.gz RUZFQOHJNWHMHB-VIFPVBQESA-N 0 1 244.294 2.040 20 0 BEADMN COc1cc(F)cc(-n2[nH]c(C)c(C)c2=O)c1 ZINC000634618402 343016206 /nfs/dbraw/zinc/01/62/06/343016206.db2.gz PVXZZADSTVESEC-SSDOTTSWSA-N 0 1 236.246 2.193 20 0 BEADMN CC(C)(C)CCn1[nH]c2c(c1=O)CSCC2 ZINC000634620575 343019770 /nfs/dbraw/zinc/01/97/70/343019770.db2.gz ISBOEDFHSSABGV-SECBINFHSA-N 0 1 240.372 2.374 20 0 BEADMN CCC(CC)Cn1[nH]c(C2CC2)cc1=O ZINC000634621985 343020672 /nfs/dbraw/zinc/02/06/72/343020672.db2.gz UTFSZFIRCYLLTB-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN CCC1=NN([C@H]2CCOC(C)(C)C2)C(=O)[C@@H]1C ZINC000634621961 343020870 /nfs/dbraw/zinc/02/08/70/343020870.db2.gz UKPVOXFEWMSZGL-ZJUUUORDSA-N 0 1 238.331 2.188 20 0 BEADMN CCc1[nH]n([C@H]2CCOC(C)(C)C2)c(=O)c1C ZINC000634621961 343020873 /nfs/dbraw/zinc/02/08/73/343020873.db2.gz UKPVOXFEWMSZGL-ZJUUUORDSA-N 0 1 238.331 2.188 20 0 BEADMN CCCCOCCN1CCO[C@@](C)(CC)C1 ZINC000135666387 323030040 /nfs/dbraw/zinc/03/00/40/323030040.db2.gz XBHMAIHUNDYEJA-ZDUSSCGKSA-N 0 1 229.364 2.304 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@](C)(C(N)=O)C2)o1 ZINC000335905619 136260821 /nfs/dbraw/zinc/26/08/21/136260821.db2.gz GUKQSDIPWZXZFJ-SKDRFNHKSA-N 0 1 237.303 2.291 20 0 BEADMN COc1cc(F)ccc1-n1[nH]c(C)c(C)c1=O ZINC000634624735 343026048 /nfs/dbraw/zinc/02/60/48/343026048.db2.gz PIJUDVAAJAGIHZ-ZETCQYMHSA-N 0 1 236.246 2.193 20 0 BEADMN Cc1[nH]n(-c2ccc(C)c(F)c2)c(=O)c1C ZINC000634615164 343011392 /nfs/dbraw/zinc/01/13/92/343011392.db2.gz ZHPIAMVVFUZXJU-QMMMGPOBSA-N 0 1 220.247 2.493 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352004723 534932227 /nfs/dbraw/zinc/93/22/27/534932227.db2.gz POAKNOMBVIQKOY-AGIUHOORSA-N 0 1 240.391 2.220 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1CCc1ccccn1 ZINC000634614990 343012584 /nfs/dbraw/zinc/01/25/84/343012584.db2.gz UNXNDRIENKCPFJ-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN CCCCC1=NN(CCCOC)C(=O)[C@H]1C ZINC000634625816 343030281 /nfs/dbraw/zinc/03/02/81/343030281.db2.gz OKKNQOMSVOYFNX-JTQLQIEISA-N 0 1 226.320 2.047 20 0 BEADMN CCCCc1[nH]n(CCCOC)c(=O)c1C ZINC000634625816 343030282 /nfs/dbraw/zinc/03/02/82/343030282.db2.gz OKKNQOMSVOYFNX-JTQLQIEISA-N 0 1 226.320 2.047 20 0 BEADMN CCN(C#N)CCNC(C)(C)c1ccccc1F ZINC000602842332 349780520 /nfs/dbraw/zinc/78/05/20/349780520.db2.gz URLOOUNSGRLTNB-UHFFFAOYSA-N 0 1 249.333 2.453 20 0 BEADMN O=C1[C@@H]2CCCCCCC2=NN1c1cncnc1 ZINC000634627501 343033227 /nfs/dbraw/zinc/03/32/27/343033227.db2.gz DWDZSFWUDAZINP-LLVKDONJSA-N 0 1 244.298 2.150 20 0 BEADMN O=c1c2c([nH]n1-c1cncnc1)CCCCCC2 ZINC000634627501 343033228 /nfs/dbraw/zinc/03/32/28/343033228.db2.gz DWDZSFWUDAZINP-LLVKDONJSA-N 0 1 244.298 2.150 20 0 BEADMN CC[C@H](C)c1cc(=O)n(C[C@@H]2CCSC2)[nH]1 ZINC000634628853 343035905 /nfs/dbraw/zinc/03/59/05/343035905.db2.gz HJDQDRHHOZDSBJ-UWVGGRQHSA-N 0 1 240.372 2.374 20 0 BEADMN CC1(c2cc(=O)n(C[C@@H]3CCSC3)[nH]2)CC1 ZINC000634629582 343036097 /nfs/dbraw/zinc/03/60/97/343036097.db2.gz XMBNXUUULWFIPV-VIFPVBQESA-N 0 1 238.356 2.128 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1ccncc1F ZINC000634633575 343046151 /nfs/dbraw/zinc/04/61/51/343046151.db2.gz AQBTYQWLSNWGTA-UHFFFAOYSA-N 0 1 233.246 2.114 20 0 BEADMN COc1nccnc1CNC1CC(C(C)(C)C)C1 ZINC000449343111 259344368 /nfs/dbraw/zinc/34/43/68/259344368.db2.gz HRYMRRKLOIXIKO-UHFFFAOYSA-N 0 1 249.358 2.400 20 0 BEADMN Cc1ccccc1C[C@@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000212300669 343073613 /nfs/dbraw/zinc/07/36/13/343073613.db2.gz UFZNOYNDGDVRSJ-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1ccc(CNC2(CO)CC2)c(Cl)c1 ZINC000235857617 343064856 /nfs/dbraw/zinc/06/48/56/343064856.db2.gz KMGNUMIXYMOFLD-UHFFFAOYSA-N 0 1 225.719 2.263 20 0 BEADMN CO[C@H](C)C[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000552024877 343074087 /nfs/dbraw/zinc/07/40/87/343074087.db2.gz JJEPPJUOXIZRTL-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN Cn1cnc(CN[C@@H]2CCCC(C)(C)CC2)n1 ZINC000236139405 343079904 /nfs/dbraw/zinc/07/99/04/343079904.db2.gz HQDBKGOOHCFXHN-LLVKDONJSA-N 0 1 236.363 2.264 20 0 BEADMN CCNCc1cn([C@@H](C)c2cccc(F)c2)nn1 ZINC000640991216 362103140 /nfs/dbraw/zinc/10/31/40/362103140.db2.gz KGYXBACACCIKRA-JTQLQIEISA-N 0 1 248.305 2.136 20 0 BEADMN CNC(C)(C)c1cn([C@H]2C=CCCC2)nn1 ZINC000640946234 362088338 /nfs/dbraw/zinc/08/83/38/362088338.db2.gz VYOQJPMROBOUIA-JTQLQIEISA-N 0 1 220.320 2.014 20 0 BEADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(C)no1 ZINC000042147519 343117334 /nfs/dbraw/zinc/11/73/34/343117334.db2.gz YHEJSNJEIDZYIJ-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000028835289 343133414 /nfs/dbraw/zinc/13/34/14/343133414.db2.gz MBOYLDLNNCPHKS-AOOOYVTPSA-N 0 1 235.331 2.090 20 0 BEADMN CCc1cc(C(=O)N(CC)[C@H](C)C(C)C)n[nH]1 ZINC000576907438 365718752 /nfs/dbraw/zinc/71/87/52/365718752.db2.gz GCDOFMIRYJLMPY-SNVBAGLBSA-N 0 1 237.347 2.479 20 0 BEADMN CC1CC[NH+](Cc2nc(C(=O)[O-])cs2)CC1 ZINC000031945132 343142049 /nfs/dbraw/zinc/14/20/49/343142049.db2.gz BAHPRRVQSVSIFN-UHFFFAOYSA-N 0 1 240.328 2.073 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)NCC1CCC1 ZINC000144972082 343144766 /nfs/dbraw/zinc/14/47/66/343144766.db2.gz ORICLVSHLZPWPD-UHFFFAOYSA-N 0 1 243.310 2.022 20 0 BEADMN C[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000129520710 343178036 /nfs/dbraw/zinc/17/80/36/343178036.db2.gz UEELTIUGTRRHPJ-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN C[N@@H+](Cc1cc(F)cc(F)c1)C(C)(C)C(=O)[O-] ZINC000097904004 343155488 /nfs/dbraw/zinc/15/54/88/343155488.db2.gz DGILFOGJOMRKJE-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+][C@H]2CCC2(C)C)n1 ZINC000576955070 365730942 /nfs/dbraw/zinc/73/09/42/365730942.db2.gz WOQZBWCIOZNZJR-UWVGGRQHSA-N 0 1 235.331 2.330 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C(=O)[O-])C1 ZINC000129395683 343177204 /nfs/dbraw/zinc/17/72/04/343177204.db2.gz IQEFYNGBSIGLOP-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC000146287486 343197922 /nfs/dbraw/zinc/19/79/22/343197922.db2.gz BDLPHTIOEIDWIS-ZYHUDNBSSA-N 0 1 219.284 2.297 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000144697236 343197986 /nfs/dbraw/zinc/19/79/86/343197986.db2.gz LRLCARXUADOVNU-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)(O)C(C)(C)CNCc1cscn1 ZINC000393587790 259356739 /nfs/dbraw/zinc/35/67/39/259356739.db2.gz LPRUBDANNOUONH-UHFFFAOYSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCCC(=O)[O-])CC1 ZINC000082489591 136276518 /nfs/dbraw/zinc/27/65/18/136276518.db2.gz RWVXPHWBXVCOEL-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN CC1(C)C[C@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000634682639 343186457 /nfs/dbraw/zinc/18/64/57/343186457.db2.gz XQUUXZYUJRIKIK-SNVBAGLBSA-N 0 1 246.314 2.327 20 0 BEADMN CC1(C)C[C@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000634682639 343186458 /nfs/dbraw/zinc/18/64/58/343186458.db2.gz XQUUXZYUJRIKIK-SNVBAGLBSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000135553816 343193383 /nfs/dbraw/zinc/19/33/83/343193383.db2.gz DWMVZJWVBBJENG-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000625340439 343240768 /nfs/dbraw/zinc/24/07/68/343240768.db2.gz CHHXKJGNSYAJDT-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN NCc1cc(C(=O)N(C2CC2)C2CCCC2)co1 ZINC000187355193 343283236 /nfs/dbraw/zinc/28/32/36/343283236.db2.gz YSFXQPPKXOWVHC-UHFFFAOYSA-N 0 1 248.326 2.286 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000035084283 343284137 /nfs/dbraw/zinc/28/41/37/343284137.db2.gz SOFUOTXNIRIFJC-UHFFFAOYSA-N 0 1 247.216 2.222 20 0 BEADMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccnc1 ZINC000035124355 343285676 /nfs/dbraw/zinc/28/56/76/343285676.db2.gz QSJKXUUSBNDMKF-MNOVXSKESA-N 0 1 249.358 2.035 20 0 BEADMN CC[N@H+](Cc1cc(C(=O)[O-])co1)CC(C)C ZINC000051330347 343256305 /nfs/dbraw/zinc/25/63/05/343256305.db2.gz SZXMYGCJCCYKKQ-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CCC[C@H](C)CCCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000625362937 343259934 /nfs/dbraw/zinc/25/99/34/343259934.db2.gz HFPWTWHBUQGFGU-BFHYXJOUSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1cc(CNCCc2ccsc2)no1 ZINC000069768845 343291040 /nfs/dbraw/zinc/29/10/40/343291040.db2.gz BDNVOIKSNJIAOI-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN CC(C)c1nc(CN[C@H](C)[C@H](C)CO)cs1 ZINC000164323017 136292110 /nfs/dbraw/zinc/29/21/10/136292110.db2.gz SFJCGKGYQRINAK-NXEZZACHSA-N 0 1 242.388 2.373 20 0 BEADMN CNCc1cn(Cc2cccc(C(C)C)c2)nn1 ZINC000641055741 362168001 /nfs/dbraw/zinc/16/80/01/362168001.db2.gz LVUKILUEKHEULA-UHFFFAOYSA-N 0 1 244.342 2.169 20 0 BEADMN C[C@H](O)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000035718804 343302306 /nfs/dbraw/zinc/30/23/06/343302306.db2.gz WZHPXSOKHJBVAY-VIFPVBQESA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC000584063270 343312211 /nfs/dbraw/zinc/31/22/11/343312211.db2.gz MPPGWPUXBUMDGT-WDEREUQCSA-N 0 1 249.358 2.283 20 0 BEADMN COC(=O)c1occc1CN1CCC[C@H]1C1CC1 ZINC000609133678 343314948 /nfs/dbraw/zinc/31/49/48/343314948.db2.gz RQNYMGCPLOHERK-LBPRGKRZSA-N 0 1 249.310 2.441 20 0 BEADMN Cc1noc([C@@H]2CCCN2C[C@@H]2C[C@@H]2C)n1 ZINC000348817326 136298947 /nfs/dbraw/zinc/29/89/47/136298947.db2.gz OBAQNKKTXJQIFZ-LSJOCFKGSA-N 0 1 221.304 2.171 20 0 BEADMN Cc1nc([C@H](C)N2Cc3cccc(F)c3C2)n[nH]1 ZINC000335631722 136300240 /nfs/dbraw/zinc/30/02/40/136300240.db2.gz BSKWBXKQRVFUME-QMMMGPOBSA-N 0 1 246.289 2.329 20 0 BEADMN F[C@@H]1CCCC[C@H]1NCc1cnc2cnccn12 ZINC000335631075 136300450 /nfs/dbraw/zinc/30/04/50/136300450.db2.gz MDSPGTZHPZGXSO-VXGBXAGGSA-N 0 1 248.305 2.100 20 0 BEADMN Cc1csc(CNCCC(F)(F)F)n1 ZINC000070912557 343339665 /nfs/dbraw/zinc/33/96/65/343339665.db2.gz DAHFSGBPJRGXMW-UHFFFAOYSA-N 0 1 224.251 2.494 20 0 BEADMN c1csc(CN2CC[C@@]3(C2)CCCOC3)n1 ZINC000367062540 136302693 /nfs/dbraw/zinc/30/26/93/136302693.db2.gz NUWBGOLXWIBAJW-GFCCVEGCSA-N 0 1 238.356 2.146 20 0 BEADMN Cc1occc1CN1CCCc2c(cnn2C)C1 ZINC000335638731 136303010 /nfs/dbraw/zinc/30/30/10/136303010.db2.gz KFOBWGUVWWMIIG-UHFFFAOYSA-N 0 1 245.326 2.270 20 0 BEADMN CCc1ccc(CN(C)C[C@H](C)OC)o1 ZINC000348833542 136303434 /nfs/dbraw/zinc/30/34/34/136303434.db2.gz NEQFPOUHCYRQPT-JTQLQIEISA-N 0 1 211.305 2.309 20 0 BEADMN NCc1ccc(C(=O)N[C@@H]2CC23CCCCC3)o1 ZINC000335650045 136304680 /nfs/dbraw/zinc/30/46/80/136304680.db2.gz QHQVDQATWWTEIK-GFCCVEGCSA-N 0 1 248.326 2.191 20 0 BEADMN CCc1cccc(Cn2cc([C@@H](C)NC)nn2)c1 ZINC000641067454 362178280 /nfs/dbraw/zinc/17/82/80/362178280.db2.gz ZRDZRWXNQRPSHV-LLVKDONJSA-N 0 1 244.342 2.169 20 0 BEADMN Cc1noc([C@H](C)NC2Cc3ccccc3C2)n1 ZINC000335656799 136306506 /nfs/dbraw/zinc/30/65/06/136306506.db2.gz JQWYKIRPBPZHJS-VIFPVBQESA-N 0 1 243.310 2.196 20 0 BEADMN c1nc(CN2CCC[C@H]3COCC[C@@H]32)cs1 ZINC000335658654 136307168 /nfs/dbraw/zinc/30/71/68/136307168.db2.gz AWDDGWCUFSQKKA-JQWIXIFHSA-N 0 1 238.356 2.144 20 0 BEADMN c1nc(CN2CCC[C@@H]3COCC[C@H]32)cs1 ZINC000335658666 136307292 /nfs/dbraw/zinc/30/72/92/136307292.db2.gz AWDDGWCUFSQKKA-ZYHUDNBSSA-N 0 1 238.356 2.144 20 0 BEADMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000335671746 136313358 /nfs/dbraw/zinc/31/33/58/136313358.db2.gz ZQCZMMFKVZYWIU-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN CCN(CC(C)(C)C)C(=O)[C@H](C)N1CC(C)C1 ZINC000569939485 323045264 /nfs/dbraw/zinc/04/52/64/323045264.db2.gz BPHUKMOUIIWYNG-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CNC(C)(C)c1cn(C[C@H](C)CC(C)C)nn1 ZINC000641077870 362188494 /nfs/dbraw/zinc/18/84/94/362188494.db2.gz SQKBKNYWOBPPPN-LLVKDONJSA-N 0 1 238.379 2.415 20 0 BEADMN CCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349155886 136327274 /nfs/dbraw/zinc/32/72/74/136327274.db2.gz CGBYVRZIXZPXIQ-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349155889 136327479 /nfs/dbraw/zinc/32/74/79/136327479.db2.gz CGBYVRZIXZPXIQ-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CC[S@@](=O)CC[N@H+]1CC1CCCCC1 ZINC000335697654 136327504 /nfs/dbraw/zinc/32/75/04/136327504.db2.gz XEQNSITWBDOVHG-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1nc(CN[C@@H]2CCCCC[C@H]2O)cs1 ZINC000041010732 343412270 /nfs/dbraw/zinc/41/22/70/343412270.db2.gz RKCTUSUDYYLLIM-VXGBXAGGSA-N 0 1 240.372 2.235 20 0 BEADMN CCNCc1cn(C[C@H]2CCCC[C@@H]2C)nn1 ZINC000641087944 362210759 /nfs/dbraw/zinc/21/07/59/362210759.db2.gz KKTFYYZWBJKZSO-NWDGAFQWSA-N 0 1 236.363 2.214 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000335739876 136352101 /nfs/dbraw/zinc/35/21/01/136352101.db2.gz GJAAZMSPBHXUPH-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1noc(C)c1CCN[C@H](C)c1ccon1 ZINC000349244042 136332637 /nfs/dbraw/zinc/33/26/37/136332637.db2.gz NOYMJUYFSFOCKL-SECBINFHSA-N 0 1 235.287 2.173 20 0 BEADMN COC[C@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000349249408 136333171 /nfs/dbraw/zinc/33/31/71/136333171.db2.gz XHSOLKPGXGAHFL-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2ncnn2C(C)(C)C)C1 ZINC000335702589 136334383 /nfs/dbraw/zinc/33/43/83/136334383.db2.gz BQXGQCHTXWCWRX-GHMZBOCLSA-N 0 1 236.363 2.263 20 0 BEADMN CC(C)c1ncc(CN(C)[C@H](C)CO)s1 ZINC000349294294 136337432 /nfs/dbraw/zinc/33/74/32/136337432.db2.gz HNSIVGKQIXEBFK-SECBINFHSA-N 0 1 228.361 2.079 20 0 BEADMN Cc1oncc1CN1CCC(C(F)F)CC1 ZINC000335716240 136339274 /nfs/dbraw/zinc/33/92/74/136339274.db2.gz MUHHQLOBVUXALF-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CCc1ncc(CN2CCOC[C@H](C)C2)s1 ZINC000335717128 136339572 /nfs/dbraw/zinc/33/95/72/136339572.db2.gz CZTDRBPQRWWTAM-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@H]1CN(C)CCN1c1nc2c(cccc2F)o1 ZINC000335897652 136359618 /nfs/dbraw/zinc/35/96/18/136359618.db2.gz WVYHLRZNWKMAHT-VIFPVBQESA-N 0 1 249.289 2.107 20 0 BEADMN Cc1cc(CN[C@H]2CC[C@@H]2C2CC2)no1 ZINC000379932905 365744281 /nfs/dbraw/zinc/74/42/81/365744281.db2.gz PPDLVZIHEHUSKZ-NEPJUHHUSA-N 0 1 206.289 2.261 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351096012 136367674 /nfs/dbraw/zinc/36/76/74/136367674.db2.gz GBJQQYFPIACPMN-FOGDFJRCSA-N 0 1 246.310 2.201 20 0 BEADMN CC(C)[C@H]1CN(CCOC(C)(C)C)CCO1 ZINC000351101198 136367695 /nfs/dbraw/zinc/36/76/95/136367695.db2.gz NYWQQQAVMYOLFC-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CCC1(CC)CCN(Cc2cnnn2C)CC1 ZINC000351581620 136369600 /nfs/dbraw/zinc/36/96/00/136369600.db2.gz OCCSDFYRIWGIQL-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351805514 136370407 /nfs/dbraw/zinc/37/04/07/136370407.db2.gz CHMMMUYOZNRXQO-KKFJDGPESA-N 0 1 241.281 2.338 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](O)C1 ZINC000351805511 136370624 /nfs/dbraw/zinc/37/06/24/136370624.db2.gz CHMMMUYOZNRXQO-JRKPZEMJSA-N 0 1 241.281 2.338 20 0 BEADMN CSC1CCN([C@H](C)c2n[nH]c(C)n2)CC1 ZINC000602921155 349811166 /nfs/dbraw/zinc/81/11/66/349811166.db2.gz QHUGHGXOOCFDMC-MRVPVSSYSA-N 0 1 240.376 2.002 20 0 BEADMN Cc1ccc2nc(-c3csnn3)[nH]c2c1 ZINC000083591752 343492473 /nfs/dbraw/zinc/49/24/73/343492473.db2.gz DJAMVTYVGBPARD-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CCN(Cc1cnc(C2CC2)o1)[C@H]1CCOC1 ZINC000628289737 346943359 /nfs/dbraw/zinc/94/33/59/346943359.db2.gz OZAGXKDBRSUZCT-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000082717649 343461434 /nfs/dbraw/zinc/46/14/34/343461434.db2.gz SKTVCJAZYRPEPK-VIFPVBQESA-N 0 1 225.263 2.293 20 0 BEADMN CCCN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000082784310 343467158 /nfs/dbraw/zinc/46/71/58/343467158.db2.gz BMVXBXQGFALJHQ-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN CC[C@@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000083854701 343502194 /nfs/dbraw/zinc/50/21/94/343502194.db2.gz DQPPNAGQFRBZNV-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCc1nnc(NC(=O)CC(C)(C)CC)[nH]1 ZINC000479159301 529742879 /nfs/dbraw/zinc/74/28/79/529742879.db2.gz HBBPPHZIPFYPCB-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC(C)(C)CC)n1 ZINC000479159301 529742880 /nfs/dbraw/zinc/74/28/80/529742880.db2.gz HBBPPHZIPFYPCB-UHFFFAOYSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H](C)C(C)(C)C)[nH]1 ZINC000479133858 529743188 /nfs/dbraw/zinc/74/31/88/529743188.db2.gz RQNMOZNAJOGUAN-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H](C)C(C)(C)C)n1 ZINC000479133858 529743189 /nfs/dbraw/zinc/74/31/89/529743189.db2.gz RQNMOZNAJOGUAN-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN Cc1cc(C(=O)N(C)C2CCC(C)CC2)n[nH]1 ZINC000048608738 343584761 /nfs/dbraw/zinc/58/47/61/343584761.db2.gz VNKJUZLXQAFILM-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000390269535 537791120 /nfs/dbraw/zinc/79/11/20/537791120.db2.gz RFDQMQZHSKSMFD-GZMMTYOYSA-N 0 1 223.247 2.046 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000390269535 537791129 /nfs/dbraw/zinc/79/11/29/537791129.db2.gz RFDQMQZHSKSMFD-GZMMTYOYSA-N 0 1 223.247 2.046 20 0 BEADMN CSCCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000083411436 343599114 /nfs/dbraw/zinc/59/91/14/343599114.db2.gz PDMWDXISMGWFAC-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CSCCC[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000083415778 343599130 /nfs/dbraw/zinc/59/91/30/343599130.db2.gz XXXKCYAGOZXWLK-NSHDSACASA-N 0 1 245.388 2.316 20 0 BEADMN CCc1nc(CN[C@@H](CO)CC(C)C)cs1 ZINC000049592658 343603956 /nfs/dbraw/zinc/60/39/56/343603956.db2.gz CIOYFKWDEQQOSO-SNVBAGLBSA-N 0 1 242.388 2.202 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000049591267 343603987 /nfs/dbraw/zinc/60/39/87/343603987.db2.gz SFCTUSAVBWWDIP-ONGXEEELSA-N 0 1 240.372 2.363 20 0 BEADMN CC1(C)C[C@@]1(C)NC(=O)c1cccc2nc[nH]c21 ZINC000620077026 343637017 /nfs/dbraw/zinc/63/70/17/343637017.db2.gz BISZTZBGGBFSGJ-CQSZACIVSA-N 0 1 243.310 2.481 20 0 BEADMN CCN(Cc1ccncc1)Cc1ccnc(N)c1 ZINC000052725751 343638307 /nfs/dbraw/zinc/63/83/07/343638307.db2.gz YCOPOYXPGSWYEY-UHFFFAOYSA-N 0 1 242.326 2.081 20 0 BEADMN CCOC(=O)CN(CC)C(CC)CC ZINC000087171716 343639790 /nfs/dbraw/zinc/63/97/90/343639790.db2.gz QZEAQEIKPRVKHY-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN Cc1cc(CNCc2ccc(Cl)o2)n[nH]1 ZINC000380006627 343666059 /nfs/dbraw/zinc/66/60/59/343666059.db2.gz PKUCUTFZBPVFPN-UHFFFAOYSA-N 0 1 225.679 2.254 20 0 BEADMN O=C(N[C@@H]1CCCC12CCCCC2)c1cnn[nH]1 ZINC000312972193 343694746 /nfs/dbraw/zinc/69/47/46/343694746.db2.gz NPXJOOSYKBELQI-LLVKDONJSA-N 0 1 248.330 2.038 20 0 BEADMN CCCNC(=O)CN(CC)Cc1ccccc1C ZINC000048059259 343706748 /nfs/dbraw/zinc/70/67/48/343706748.db2.gz CBSGZJATZPUWAL-UHFFFAOYSA-N 0 1 248.370 2.343 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CO[C@H](C)C2)cs1 ZINC000402121470 349849739 /nfs/dbraw/zinc/84/97/39/349849739.db2.gz GVRMQKDRPGJLNA-KHQFGBGNSA-N 0 1 226.345 2.280 20 0 BEADMN CC(C)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261536717 349850037 /nfs/dbraw/zinc/85/00/37/349850037.db2.gz SPHBLYNJNBTYFV-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nnc(CN2CC[C@H](C)C[C@H](C)C2)o1 ZINC000127646861 343739136 /nfs/dbraw/zinc/73/91/36/343739136.db2.gz KHXCAHPISJCNDM-UWVGGRQHSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@H](C(C)C)C2)o1 ZINC000232767914 537806556 /nfs/dbraw/zinc/80/65/56/537806556.db2.gz HESJFGQRQSVAHD-RYUDHWBXSA-N 0 1 238.331 2.276 20 0 BEADMN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccoc1 ZINC000624342533 343723513 /nfs/dbraw/zinc/72/35/13/343723513.db2.gz GHCFVKGUXQTARX-ZWNOBZJWSA-N 0 1 248.326 2.084 20 0 BEADMN CC[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(N)=O ZINC000061680164 343727819 /nfs/dbraw/zinc/72/78/19/343727819.db2.gz VNFGZBWDKWHXDQ-SNVBAGLBSA-N 0 1 249.339 2.227 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC[C@H]2C[C@H]2C1 ZINC000619347754 343758575 /nfs/dbraw/zinc/75/85/75/343758575.db2.gz KVMCWDNPBBEOLO-UWVGGRQHSA-N 0 1 241.294 2.045 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC(C)(C)C[C@H]1C ZINC000584121256 343762204 /nfs/dbraw/zinc/76/22/04/343762204.db2.gz GGFJXQLHMDHHTM-NXEZZACHSA-N 0 1 234.347 2.071 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1CCCCC1 ZINC000584122120 343762469 /nfs/dbraw/zinc/76/24/69/343762469.db2.gz IUCWJRZGHLRAMR-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN CN(C/C=C/c1ccc(F)cc1)Cc1nnc[nH]1 ZINC000179795788 346996915 /nfs/dbraw/zinc/99/69/15/346996915.db2.gz GUYWKXWRLAEZMF-NSCUHMNNSA-N 0 1 246.289 2.089 20 0 BEADMN COC1CC(Sc2n[nH]c(C(C)(C)C)n2)C1 ZINC000683901980 488241866 /nfs/dbraw/zinc/24/18/66/488241866.db2.gz QCEOMXQPGUKLDS-UHFFFAOYSA-N 0 1 241.360 2.372 20 0 BEADMN CC(C)CC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000620286967 343889752 /nfs/dbraw/zinc/88/97/52/343889752.db2.gz VZSDAFIQVFFRCN-NSHDSACASA-N 0 1 249.358 2.283 20 0 BEADMN CCOC1CC(N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000345355855 343908988 /nfs/dbraw/zinc/90/89/88/343908988.db2.gz NTDHNMFACOQGOH-WNYYMSAVSA-N 0 1 235.331 2.046 20 0 BEADMN CC[C@H](CC(F)F)Cn1cc([C@@H](C)NC)nn1 ZINC000641182892 362259199 /nfs/dbraw/zinc/25/91/99/362259199.db2.gz UXNIRNDRDSKUJP-RKDXNWHRSA-N 0 1 246.305 2.240 20 0 BEADMN CC(C)(C)[C@@H](O)CN1Cc2ccc(O)cc2C1 ZINC000625727778 344058469 /nfs/dbraw/zinc/05/84/69/344058469.db2.gz LDQGLUMTUPLYBZ-ZDUSSCGKSA-N 0 1 235.327 2.115 20 0 BEADMN CC(C)NC(=O)CNCc1ccccc1C1CC1 ZINC000094357600 537838312 /nfs/dbraw/zinc/83/83/12/537838312.db2.gz DZNBLXKVPVHDJG-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)[nH]1 ZINC000335906283 344084328 /nfs/dbraw/zinc/08/43/28/344084328.db2.gz NWIIMVCJVBSLSP-HZMBPMFUSA-N 0 1 247.342 2.370 20 0 BEADMN COc1cccc(CN(C2CC2)C2CC2)n1 ZINC000625839158 344092254 /nfs/dbraw/zinc/09/22/54/344092254.db2.gz SXTHAILOWBHIPL-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN COc1cncc(CN(C2CC2)C2CC2)c1 ZINC000625842110 344093367 /nfs/dbraw/zinc/09/33/67/344093367.db2.gz WIAVZJCUQQTPRX-UHFFFAOYSA-N 0 1 218.300 2.217 20 0 BEADMN c1nc(CN[C@@H]2CC23CCCCC3)co1 ZINC000395154119 344101885 /nfs/dbraw/zinc/10/18/85/344101885.db2.gz KNGKYVHBZVNLJR-LLVKDONJSA-N 0 1 206.289 2.487 20 0 BEADMN Fc1ccc(F)c(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634746827 344177754 /nfs/dbraw/zinc/17/77/54/344177754.db2.gz LUYWTMWPXLJEKK-PHIMTYICSA-N 0 1 239.265 2.043 20 0 BEADMN CCN(CCOC)Cc1cnc(C2CC2)o1 ZINC000628130388 344160077 /nfs/dbraw/zinc/16/00/77/344160077.db2.gz YGFJLAGGCIIYMQ-UHFFFAOYSA-N 0 1 224.304 2.020 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000195526112 344216319 /nfs/dbraw/zinc/21/63/19/344216319.db2.gz KIHJOUFSDPMHDB-MRVPVSSYSA-N 0 1 221.304 2.158 20 0 BEADMN CCOC[C@@H](C)NCc1ncc(CC)s1 ZINC000130592830 344222441 /nfs/dbraw/zinc/22/24/41/344222441.db2.gz QEJBIEPBMZSJAI-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CC[C@@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000130548931 344223305 /nfs/dbraw/zinc/22/33/05/344223305.db2.gz AAAJZZBRUJTNHR-KOLCDFICSA-N 0 1 228.361 2.129 20 0 BEADMN CCC(=O)CCCN1CCO[C@@H](C(F)F)CC1 ZINC000634758812 344227079 /nfs/dbraw/zinc/22/70/79/344227079.db2.gz WNMHLLBKZMBPBF-LLVKDONJSA-N 0 1 249.301 2.102 20 0 BEADMN CCN(Cc1nc(C)c(C)s1)CC(C)(C)O ZINC000087396384 344233632 /nfs/dbraw/zinc/23/36/32/344233632.db2.gz FQBXUQPSQLEMNC-UHFFFAOYSA-N 0 1 242.388 2.353 20 0 BEADMN C/C=C\CN=c1nc[nH]c2c(C)csc21 ZINC000384857037 344184683 /nfs/dbraw/zinc/18/46/83/344184683.db2.gz CRFQWQNXSMBABS-ARJAWSKDSA-N 0 1 219.313 2.410 20 0 BEADMN CN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000588771177 344186944 /nfs/dbraw/zinc/18/69/44/344186944.db2.gz QGBCZTTXGRFUQQ-AWEZNQCLSA-N 0 1 246.354 2.084 20 0 BEADMN CCCc1cc(C(=O)N(C)CC(C)(C)C)n[nH]1 ZINC000588860983 344195281 /nfs/dbraw/zinc/19/52/81/344195281.db2.gz DSIZWYOZTLUKJZ-UHFFFAOYSA-N 0 1 237.347 2.480 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+](C)Cc1cnc(C)s1 ZINC000400056279 344267316 /nfs/dbraw/zinc/26/73/16/344267316.db2.gz DWJLDZMOYVBNKX-JTQLQIEISA-N 0 1 242.344 2.137 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cnc(C)s1 ZINC000400056279 344267319 /nfs/dbraw/zinc/26/73/19/344267319.db2.gz DWJLDZMOYVBNKX-JTQLQIEISA-N 0 1 242.344 2.137 20 0 BEADMN [O-]c1cccc2c(N[C@H]3C[C@@H](CO)C3)cc[nH+]c12 ZINC000631427522 344271848 /nfs/dbraw/zinc/27/18/48/344271848.db2.gz KODPFUOUSQAUEW-AOOOYVTPSA-N 0 1 244.294 2.123 20 0 BEADMN Cc1ccc2c(c1)CCN2C(=O)CN(C)C(C)C ZINC000091102523 344277156 /nfs/dbraw/zinc/27/71/56/344277156.db2.gz MPRDGYFQEBACRZ-UHFFFAOYSA-N 0 1 246.354 2.224 20 0 BEADMN CCN(Cc1cn[nH]c1C)CC(F)(F)F ZINC000091813384 344284840 /nfs/dbraw/zinc/28/48/40/344284840.db2.gz FVWUZOBHPNTOJV-UHFFFAOYSA-N 0 1 221.226 2.102 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000092431030 344294829 /nfs/dbraw/zinc/29/48/29/344294829.db2.gz IGZRGDFETQKRRA-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(C)C)C2)no1 ZINC000145000986 344356255 /nfs/dbraw/zinc/35/62/55/344356255.db2.gz DEAOIFPIUSSMNG-LLVKDONJSA-N 0 1 208.305 2.461 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000582133904 347045264 /nfs/dbraw/zinc/04/52/64/347045264.db2.gz SRQJHSNQKZBIDA-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN CC(C)(C)CCSc1nc(N)cc(N)n1 ZINC000041023929 344412421 /nfs/dbraw/zinc/41/24/21/344412421.db2.gz HRKBBKXBTGJJPX-UHFFFAOYSA-N 0 1 226.349 2.169 20 0 BEADMN CC(C)C[N@@H+](CCCCC(=O)[O-])C1CC1 ZINC000042557945 344458222 /nfs/dbraw/zinc/45/82/22/344458222.db2.gz LZVYNABKYTWDOQ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN N#Cc1ccc2c(c1)CCC[C@H]2NCCF ZINC000381617328 344526852 /nfs/dbraw/zinc/52/68/52/344526852.db2.gz ZNCXNMORYSWBCG-CYBMUJFWSA-N 0 1 218.275 2.495 20 0 BEADMN CCS[C@@H]1CCCCN([C@@H](C)C(=O)OC)C1 ZINC000119793941 344549517 /nfs/dbraw/zinc/54/95/17/344549517.db2.gz MKOQEBFMVFFIES-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000160610093 323073598 /nfs/dbraw/zinc/07/35/98/323073598.db2.gz HNZSVIMJBUOBET-QWRGUYRKSA-N 0 1 243.347 2.129 20 0 BEADMN CCc1nc([C@H](C)Sc2ccc(C)nn2)n[nH]1 ZINC000641459178 362432035 /nfs/dbraw/zinc/43/20/35/362432035.db2.gz UVDRUUQVIFVFFS-QMMMGPOBSA-N 0 1 249.343 2.319 20 0 BEADMN O=c1cc(CSc2nc(C3CC3)n[nH]2)cc[nH]1 ZINC000641437684 362418482 /nfs/dbraw/zinc/41/84/82/362418482.db2.gz BHNKHSHSPHQVHP-UHFFFAOYSA-N 0 1 248.311 2.075 20 0 BEADMN O=c1cc(CSc2n[nH]c(C3CC3)n2)cc[nH]1 ZINC000641437684 362418488 /nfs/dbraw/zinc/41/84/88/362418488.db2.gz BHNKHSHSPHQVHP-UHFFFAOYSA-N 0 1 248.311 2.075 20 0 BEADMN CCCC[C@H](CC)C(=O)Nc1nnc(C)[nH]1 ZINC000112703205 344649828 /nfs/dbraw/zinc/64/98/28/344649828.db2.gz IIQFSXWUCNTDPM-VIFPVBQESA-N 0 1 224.308 2.268 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)N1CCCC(C)(C)CC1 ZINC000152658925 344651395 /nfs/dbraw/zinc/65/13/95/344651395.db2.gz RBFPNSSXYMNYKW-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC1(C)C[N@H+]([C@H]2CCOC2)Cc2ccccc2O1 ZINC000288769798 344658761 /nfs/dbraw/zinc/65/87/61/344658761.db2.gz IFLNRUBXKLTHFU-ZDUSSCGKSA-N 0 1 247.338 2.449 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000152698916 344659044 /nfs/dbraw/zinc/65/90/44/344659044.db2.gz JCRHJSFDNDOEKI-MXWKQRLJSA-N 0 1 235.331 2.425 20 0 BEADMN FCC[C@@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000626002246 344662874 /nfs/dbraw/zinc/66/28/74/344662874.db2.gz JQKCGXOTJXACMK-VXGBXAGGSA-N 0 1 213.296 2.156 20 0 BEADMN CC(C)(C)OCCCN1CCO[C@@H](CCF)C1 ZINC000626002254 344662890 /nfs/dbraw/zinc/66/28/90/344662890.db2.gz JSISZJIHDNUXSH-LBPRGKRZSA-N 0 1 247.354 2.252 20 0 BEADMN COc1cccc2c1CN(C[C@@H]1CCCOC1)C2 ZINC000626022441 344677719 /nfs/dbraw/zinc/67/77/19/344677719.db2.gz SXSCRSIYNPHTQN-LBPRGKRZSA-N 0 1 247.338 2.437 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)C[C@H](C)O)cs1 ZINC000228274141 347064696 /nfs/dbraw/zinc/06/46/96/347064696.db2.gz TZEVAELIPKDADB-CIUDSAMLSA-N 0 1 228.361 2.262 20 0 BEADMN CCc1noc([C@@H](C)N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000153081772 344742336 /nfs/dbraw/zinc/74/23/36/344742336.db2.gz ZBGPWTGVAGFWRU-GMTAPVOTSA-N 0 1 235.331 2.425 20 0 BEADMN C[C@]12CCCC[C@H]1CN2Cc1ccon1 ZINC000626103805 344744564 /nfs/dbraw/zinc/74/45/64/344744564.db2.gz QMPNBXWFBSZOHU-JQWIXIFHSA-N 0 1 206.289 2.439 20 0 BEADMN Cn1ccnc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103609 344744894 /nfs/dbraw/zinc/74/48/94/344744894.db2.gz HRIHWTHBNRRUGW-AAEUAGOBSA-N 0 1 219.332 2.185 20 0 BEADMN c1snnc1CNC[C@H]1CC2CCC1CC2 ZINC000400001626 344747689 /nfs/dbraw/zinc/74/76/89/344747689.db2.gz ALAMDNJZKJFKLB-VQXHTEKXSA-N 0 1 237.372 2.454 20 0 BEADMN CCn1nncc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103934 344747848 /nfs/dbraw/zinc/74/78/48/344747848.db2.gz XKZQBSGMRVBGAY-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CN(Cc1cccc(F)c1F)C[C@H]1C[C@@H](O)C1 ZINC000626042644 344693961 /nfs/dbraw/zinc/69/39/61/344693961.db2.gz NTPGXADOOXIMSI-JGZJWPJOSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1ccc2nc(SCCCO)[nH]c2c1 ZINC000025039438 344706315 /nfs/dbraw/zinc/70/63/15/344706315.db2.gz YIKUHLUQTGEKCE-UHFFFAOYSA-N 0 1 222.313 2.346 20 0 BEADMN CC(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000050600042 344718655 /nfs/dbraw/zinc/71/86/55/344718655.db2.gz BELQBSQFRYCTPA-CYBMUJFWSA-N 0 1 203.285 2.065 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2cncs2)n1 ZINC000075959178 344788699 /nfs/dbraw/zinc/78/86/99/344788699.db2.gz MYUVIXQWLAJPJT-ZETCQYMHSA-N 0 1 238.316 2.239 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2cncs2)n1 ZINC000075959179 344788812 /nfs/dbraw/zinc/78/88/12/344788812.db2.gz MYUVIXQWLAJPJT-SSDOTTSWSA-N 0 1 238.316 2.239 20 0 BEADMN c1ccc(C2(NCc3cncnc3)CC2)cc1 ZINC000264565206 347075349 /nfs/dbraw/zinc/07/53/49/347075349.db2.gz SPRDGBMWHSXEGG-UHFFFAOYSA-N 0 1 225.295 2.256 20 0 BEADMN C[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1C ZINC000076110723 344795245 /nfs/dbraw/zinc/79/52/45/344795245.db2.gz GFLIUKYADZZNJE-RKDXNWHRSA-N 0 1 221.304 2.035 20 0 BEADMN COCCCCN1CCOC[C@@H]1c1ccccc1 ZINC000076119046 344797420 /nfs/dbraw/zinc/79/74/20/344797420.db2.gz AAKCGKAQOMVZLI-OAHLLOKOSA-N 0 1 249.354 2.487 20 0 BEADMN C[C@@H]1CN(C2CC2)CCN1C(=O)C[C@H]1C=CCC1 ZINC001638815955 1172047759 /nfs/dbraw/zinc/04/77/59/1172047759.db2.gz JDMJZHRDEGTGEW-OLZOCXBDSA-N 0 1 248.370 2.038 20 0 BEADMN CCN(C)[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000077242216 344813502 /nfs/dbraw/zinc/81/35/02/344813502.db2.gz QQSZWKUWMGUPBY-AWEZNQCLSA-N 0 1 246.354 2.302 20 0 BEADMN OCC[C@@H](NCc1ccncc1)c1ccccc1 ZINC000077467998 344819514 /nfs/dbraw/zinc/81/95/14/344819514.db2.gz COTBGNKBCSTBLB-OAHLLOKOSA-N 0 1 242.322 2.295 20 0 BEADMN C[C@](CO)(NCc1ccon1)C1CCCCC1 ZINC000077656142 344825307 /nfs/dbraw/zinc/82/53/07/344825307.db2.gz USMFPJNINMNVEN-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN Cc1ncc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000628147887 344831960 /nfs/dbraw/zinc/83/19/60/344831960.db2.gz ZSNZNRLBHFKXNC-NSHDSACASA-N 0 1 246.314 2.086 20 0 BEADMN COCSc1nc2ccc(OC)cc2[nH]1 ZINC000078224789 344833186 /nfs/dbraw/zinc/83/31/86/344833186.db2.gz SPXSHLLZJNLVRI-UHFFFAOYSA-N 0 1 224.285 2.268 20 0 BEADMN Cc1ncc(CN2C[C@H](C)S[C@@H](C)C2)o1 ZINC000628156102 344847778 /nfs/dbraw/zinc/84/77/78/344847778.db2.gz AVVTVLLAHCXRQG-IUCAKERBSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000628160423 344856717 /nfs/dbraw/zinc/85/67/17/344856717.db2.gz UPCXZJISZZLJIM-KOLCDFICSA-N 0 1 207.321 2.339 20 0 BEADMN CCCN(Cc1nc(C)c(C)[nH]1)CC(C)(C)O ZINC000628163473 344866648 /nfs/dbraw/zinc/86/66/48/344866648.db2.gz DFPDQDOABBRSIG-UHFFFAOYSA-N 0 1 239.363 2.009 20 0 BEADMN CN(CCO)Cc1cnc(-c2ccccc2)s1 ZINC000078443570 344869368 /nfs/dbraw/zinc/86/93/68/344869368.db2.gz XVUKHSSGYRFOAH-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN c1ccc([C@@H]2CN(C[C@@H]3CCOC3)CCO2)cc1 ZINC000078455121 344869828 /nfs/dbraw/zinc/86/98/28/344869828.db2.gz AZRJAYKURJMAPI-ZFWWWQNUSA-N 0 1 247.338 2.096 20 0 BEADMN C[C@H]1CN(CCCc2ccccc2)CCO1 ZINC000042569521 344876850 /nfs/dbraw/zinc/87/68/50/344876850.db2.gz YRVIQBPKFXJOOB-ZDUSSCGKSA-N 0 1 219.328 2.340 20 0 BEADMN CC(C)n1ccnc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153455493 344881285 /nfs/dbraw/zinc/88/12/85/344881285.db2.gz LKMQGBMFQQUTBK-AWEZNQCLSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@]2(CCOC2)C1 ZINC000153455493 344881287 /nfs/dbraw/zinc/88/12/87/344881287.db2.gz LKMQGBMFQQUTBK-AWEZNQCLSA-N 0 1 249.358 2.076 20 0 BEADMN CCN1CCN(Cc2cnc(C3CC3)o2)C[C@H]1C ZINC000628167878 344881336 /nfs/dbraw/zinc/88/13/36/344881336.db2.gz DKVWKYYTSHJHCN-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN CC[C@]1(C)CCCN(c2ncnc3[nH]cnc32)C1 ZINC000078559218 344882139 /nfs/dbraw/zinc/88/21/39/344882139.db2.gz PWYQROXPSYHWGQ-CYBMUJFWSA-N 0 1 245.330 2.369 20 0 BEADMN CC(C)CC(C)(C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153583406 344912471 /nfs/dbraw/zinc/91/24/71/344912471.db2.gz BMMZGYIXTNPJCT-VXGBXAGGSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1csc(CCNCc2nccs2)n1 ZINC000082394196 344903249 /nfs/dbraw/zinc/90/32/49/344903249.db2.gz CFYWYDYUDHLFSD-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Cc1ncc(C[N@H+]2CCC3(CCC3)C2)o1 ZINC000628177244 344906017 /nfs/dbraw/zinc/90/60/17/344906017.db2.gz QJBCUMRVVAVQGI-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN C[C@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCS1 ZINC000628177139 344906035 /nfs/dbraw/zinc/90/60/35/344906035.db2.gz MWGWDTYWSGPIPL-GRYCIOLGSA-N 0 1 227.373 2.135 20 0 BEADMN CC(C)CC(C)(C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153583204 344912804 /nfs/dbraw/zinc/91/28/04/344912804.db2.gz BMMZGYIXTNPJCT-TXEJJXNPSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000628179100 344914114 /nfs/dbraw/zinc/91/41/14/344914114.db2.gz NZQNJNLAZPBEIF-GXSJLCMTSA-N 0 1 207.321 2.339 20 0 BEADMN C[C@]12CCCC[C@H]1CN2Cc1cc(=O)c(O)co1 ZINC000626104942 344968971 /nfs/dbraw/zinc/96/89/71/344968971.db2.gz LPZTXPZLUYNSMD-HZMBPMFUSA-N 0 1 249.310 2.110 20 0 BEADMN Cc1ncc(CNCCOc2ccc(C)cc2)o1 ZINC000628201183 344974556 /nfs/dbraw/zinc/97/45/56/344974556.db2.gz VRFHNSURGDQHAR-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1c[nH]c(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000628189613 344942163 /nfs/dbraw/zinc/94/21/63/344942163.db2.gz HGOPNIMKVJGYKE-SNVBAGLBSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1ncc(CNCCN(C)c2ccccc2)o1 ZINC000628201729 344977503 /nfs/dbraw/zinc/97/75/03/344977503.db2.gz RHSXJCSFHMIIHB-UHFFFAOYSA-N 0 1 245.326 2.209 20 0 BEADMN CCC(CC)CN(C)Cc1nccn1C ZINC000153900295 344995914 /nfs/dbraw/zinc/99/59/14/344995914.db2.gz HUNXJKYFOHOVFH-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN CCOCCN1CCC[C@H]1c1cc(C)no1 ZINC000079899581 345051411 /nfs/dbraw/zinc/05/14/11/345051411.db2.gz POZWHBRRDCRBPR-NSHDSACASA-N 0 1 224.304 2.156 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)N2CCN[C@H](C)C2)C1 ZINC000155146918 345068682 /nfs/dbraw/zinc/06/86/82/345068682.db2.gz RJEQVFQBZHBRBH-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@H](CC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000225167491 534986525 /nfs/dbraw/zinc/98/65/25/534986525.db2.gz FDPAVSWTZVVWIA-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CCCC[C@H](CC)CC(=O)N1CCN[C@H](C)C1 ZINC000155093770 345067642 /nfs/dbraw/zinc/06/76/42/345067642.db2.gz RJNCTUSZRXWJGZ-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1OCCN(Cc2ccccc2N(C)C)[C@H]1C ZINC000156054797 345122228 /nfs/dbraw/zinc/12/22/28/345122228.db2.gz OHEOHXHKWXGOBY-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN C[C@@]1(O)CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000248345668 345114848 /nfs/dbraw/zinc/11/48/48/345114848.db2.gz NAWYSGUMKQECBJ-UONOGXRCSA-N 0 1 235.302 2.270 20 0 BEADMN C[C@H]1OCCN(CCN(C)c2ccccc2)[C@@H]1C ZINC000156442161 345163706 /nfs/dbraw/zinc/16/37/06/345163706.db2.gz AWGHLWHVLKTUNA-ZIAGYGMSSA-N 0 1 248.370 2.232 20 0 BEADMN c1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)no1 ZINC000634986899 345172441 /nfs/dbraw/zinc/17/24/41/345172441.db2.gz HMLKFWPYDKJJHV-BFHYXJOUSA-N 0 1 226.279 2.103 20 0 BEADMN Fc1cccc(CCNCc2ccon2)c1 ZINC000634951350 345127295 /nfs/dbraw/zinc/12/72/95/345127295.db2.gz UCMYRVXEVTYPQA-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN O[C@@H]1CCCC[C@H]1CCCNCc1ccon1 ZINC000634969724 345144186 /nfs/dbraw/zinc/14/41/86/345144186.db2.gz WROFXTMHJDXQKX-WCQYABFASA-N 0 1 238.331 2.096 20 0 BEADMN O[C@H]1CCCC[C@@H]1CCCNCc1ccon1 ZINC000634969725 345144396 /nfs/dbraw/zinc/14/43/96/345144396.db2.gz WROFXTMHJDXQKX-YPMHNXCESA-N 0 1 238.331 2.096 20 0 BEADMN c1cc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)no1 ZINC000634969827 345145000 /nfs/dbraw/zinc/14/50/00/345145000.db2.gz ZFXKMCYKUVSCOB-RBSFLKMASA-N 0 1 240.306 2.350 20 0 BEADMN COC[C@@H](C)NCc1nc2cc(F)ccc2o1 ZINC000634975054 345150167 /nfs/dbraw/zinc/15/01/67/345150167.db2.gz QLYKQJCAHMRSFU-MRVPVSSYSA-N 0 1 238.262 2.091 20 0 BEADMN CC1(C)CCN(C(=O)c2c(O)cccc2F)C1 ZINC000127082045 345155055 /nfs/dbraw/zinc/15/50/55/345155055.db2.gz HBUYBGAZEVRTFX-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN COC1(CNCc2ccon2)CCC(C)CC1 ZINC000634978858 345158103 /nfs/dbraw/zinc/15/81/03/345158103.db2.gz OTQKGLCASFHHLH-UHFFFAOYSA-N 0 1 238.331 2.360 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635081566 345241990 /nfs/dbraw/zinc/24/19/90/345241990.db2.gz AOZOLWUHGSBHTE-VXGBXAGGSA-N 0 1 247.342 2.162 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635077886 345242367 /nfs/dbraw/zinc/24/23/67/345242367.db2.gz JTAVVZDDTQJRPI-QCNOEVLYSA-N 0 1 247.342 2.208 20 0 BEADMN Cc1cc(F)ccc1NC(=O)[C@@H](C)N(C)C ZINC000635100726 345247142 /nfs/dbraw/zinc/24/71/42/345247142.db2.gz SVKIEIPJGCMNTR-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN C[C@H](C(=O)N(C)[C@H](C)c1cccs1)N(C)C ZINC000635351430 345319529 /nfs/dbraw/zinc/31/95/29/345319529.db2.gz UQKXZJBFCYQVNU-NXEZZACHSA-N 0 1 240.372 2.218 20 0 BEADMN CC[C@@H](CNC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635150687 345259063 /nfs/dbraw/zinc/25/90/63/345259063.db2.gz YUAIJXXNKDNBCG-OLZOCXBDSA-N 0 1 248.370 2.247 20 0 BEADMN CC1(C)C[N@@H+](C/C=C/Cl)CCCO1 ZINC000306706870 345260408 /nfs/dbraw/zinc/26/04/08/345260408.db2.gz LDLKPHASSPPUBE-HWKANZROSA-N 0 1 203.713 2.240 20 0 BEADMN C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1)N(C)C ZINC000635167214 345262707 /nfs/dbraw/zinc/26/27/07/345262707.db2.gz JDQRXCCQMFSASB-TZMCWYRMSA-N 0 1 246.354 2.300 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635169700 345263602 /nfs/dbraw/zinc/26/36/02/345263602.db2.gz DCSSKLMARZYPMY-TZMCWYRMSA-N 0 1 248.370 2.450 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000398346370 345273510 /nfs/dbraw/zinc/27/35/10/345273510.db2.gz MXMMBDZLONCDJL-LLVKDONJSA-N 0 1 220.320 2.007 20 0 BEADMN CC[C@H]1CN(C[C@H](O)C2CCCCC2)CCO1 ZINC000158335690 345321951 /nfs/dbraw/zinc/32/19/51/345321951.db2.gz WTNBNYVLIWRJNN-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635236641 345281050 /nfs/dbraw/zinc/28/10/50/345281050.db2.gz WVGQWBOGLYAVDK-GMTAPVOTSA-N 0 1 235.331 2.016 20 0 BEADMN CC(C)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635240222 345281998 /nfs/dbraw/zinc/28/19/98/345281998.db2.gz MSDOZNRBCZQOLX-GHMZBOCLSA-N 0 1 235.331 2.066 20 0 BEADMN CCCN(CC(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635248355 345284909 /nfs/dbraw/zinc/28/49/09/345284909.db2.gz HDIPXKLIEVCLLJ-VXGBXAGGSA-N 0 1 249.358 2.408 20 0 BEADMN NCc1nccn1CCSCc1ccccc1 ZINC000600966932 345296595 /nfs/dbraw/zinc/29/65/95/345296595.db2.gz WJLOYXITYZFDSX-UHFFFAOYSA-N 0 1 247.367 2.275 20 0 BEADMN C[C@H](C(=O)N(C)CCCc1ccccc1)N(C)C ZINC000635310966 345302382 /nfs/dbraw/zinc/30/23/82/345302382.db2.gz LXZXBNNZAJHQBJ-CYBMUJFWSA-N 0 1 248.370 2.028 20 0 BEADMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](C)N(C)C ZINC000635414531 345353778 /nfs/dbraw/zinc/35/37/78/345353778.db2.gz LDGBMGBCPXUKIL-RISCZKNCSA-N 0 1 246.354 2.049 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCCCN1C ZINC000635420019 345359766 /nfs/dbraw/zinc/35/97/66/345359766.db2.gz MEZPJLVYJBNLNA-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC000635425090 345362705 /nfs/dbraw/zinc/36/27/05/345362705.db2.gz LMROQLOMIAVMCV-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2c1cccc2C ZINC000635449857 345376413 /nfs/dbraw/zinc/37/64/13/345376413.db2.gz JQKRJPLHVGAFIA-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN C[C@H](C(=O)NCC[C@H](C)c1ccccc1)N(C)C ZINC000635464137 345381654 /nfs/dbraw/zinc/38/16/54/345381654.db2.gz DHIXTHKBIJLSBT-QWHCGFSZSA-N 0 1 248.370 2.247 20 0 BEADMN C[C@H](C(=O)Nc1ccc2scnc2c1)N(C)C ZINC000635470103 345386175 /nfs/dbraw/zinc/38/61/75/345386175.db2.gz WNKVMNHTUUBPLN-MRVPVSSYSA-N 0 1 249.339 2.185 20 0 BEADMN CCCCNC(=O)c1c(C)n[nH]c1C(C)C ZINC000159059643 345404366 /nfs/dbraw/zinc/40/43/66/345404366.db2.gz VPXYITUSRQHAQH-UHFFFAOYSA-N 0 1 223.320 2.371 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635511343 345407626 /nfs/dbraw/zinc/40/76/26/345407626.db2.gz JYXQDWXMNYDJFZ-AVGNSLFASA-N 0 1 238.375 2.260 20 0 BEADMN Cc1ccc([C@@H](NC(=O)CN(C)C)C2CC2)cc1 ZINC000298039780 178862746 /nfs/dbraw/zinc/86/27/46/178862746.db2.gz GBGYSJUPCKNQNM-OAHLLOKOSA-N 0 1 246.354 2.124 20 0 BEADMN Cc1nc(C)c(-c2nc(C3(N)CCCC3)no2)o1 ZINC000159662043 345454446 /nfs/dbraw/zinc/45/44/46/345454446.db2.gz ZMSQMNIPRRQDJH-UHFFFAOYSA-N 0 1 248.286 2.069 20 0 BEADMN CCC[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635495291 345398339 /nfs/dbraw/zinc/39/83/39/345398339.db2.gz RBJSQTSSCKVHFN-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN CCCC[C@H](CC)CN1CCNC(=O)[C@H]1C ZINC000248887666 534997464 /nfs/dbraw/zinc/99/74/64/534997464.db2.gz QZXAABIZTQFKET-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCOc1ccccc1CN(C)CCO ZINC000136137001 345479799 /nfs/dbraw/zinc/47/97/99/345479799.db2.gz ZWFOVFNJCMSMBX-UHFFFAOYSA-N 0 1 237.343 2.290 20 0 BEADMN O=[S@](CCN1CCC12CCC2)c1ccccc1 ZINC000081515729 345482596 /nfs/dbraw/zinc/48/25/96/345482596.db2.gz YTOSNUITDLIKDK-KRWDZBQOSA-N 0 1 249.379 2.423 20 0 BEADMN CC(C)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000081614084 345487153 /nfs/dbraw/zinc/48/71/53/345487153.db2.gz HRWXCYQOCXXHSB-UHFFFAOYSA-N 0 1 217.272 2.043 20 0 BEADMN CCCCN(C(=O)[C@@H](C)N(C)C)[C@@H](C)CC ZINC000635540817 345524831 /nfs/dbraw/zinc/52/48/31/345524831.db2.gz PJIRXTXGIMINEI-NWDGAFQWSA-N 0 1 228.380 2.364 20 0 BEADMN CC[N@H+](Cc1ccoc1C(=O)[O-])CC1CC1 ZINC000068947409 349931515 /nfs/dbraw/zinc/93/15/15/349931515.db2.gz MBANIGUKYQYUMM-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN Cc1nc(CN(C)C2CCOCC2)sc1C ZINC000088602888 345543336 /nfs/dbraw/zinc/54/33/36/345543336.db2.gz VFUZVYQRBMTIDL-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN CC[C@@H](COC)[NH2+]Cc1nc2cccc(C)c2[nH]1 ZINC000090947866 345572901 /nfs/dbraw/zinc/57/29/01/345572901.db2.gz WVOSTTBOJIRZAV-NSHDSACASA-N 0 1 247.342 2.386 20 0 BEADMN CCCCCC(C)(C)C(=O)NCc1nnc[nH]1 ZINC000084601140 345519354 /nfs/dbraw/zinc/51/93/54/345519354.db2.gz VFLUCQIUJNLZDH-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cnc(C)cn1 ZINC000091097097 345587383 /nfs/dbraw/zinc/58/73/83/345587383.db2.gz OXVRYSIWENOFQY-GFCCVEGCSA-N 0 1 239.388 2.358 20 0 BEADMN CC(C)[C@@H](NCc1ccnn1C)c1cccnc1 ZINC000091284390 345590385 /nfs/dbraw/zinc/59/03/85/345590385.db2.gz VLPVTLNEUDEHKF-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN CC(C)[C@@H](NCc1cnn(C)c1)c1cccnc1 ZINC000091306091 345590403 /nfs/dbraw/zinc/59/04/03/345590403.db2.gz YRGZKNGEMYFWBU-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN c1coc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000093865683 345666750 /nfs/dbraw/zinc/66/67/50/345666750.db2.gz HWQKVGXHPSACBX-AWEZNQCLSA-N 0 1 244.294 2.328 20 0 BEADMN COC[C@@H](C)NCc1ncccc1C(F)(F)F ZINC000678865939 488291164 /nfs/dbraw/zinc/29/11/64/488291164.db2.gz YAFLVLWQTFRWDR-MRVPVSSYSA-N 0 1 248.248 2.225 20 0 BEADMN CCc1ccc(C[N@@H+]2CCN(C)CC2(C)C)o1 ZINC000093457312 345671831 /nfs/dbraw/zinc/67/18/31/345671831.db2.gz ISBBDMFHSUUZPD-UHFFFAOYSA-N 0 1 236.359 2.368 20 0 BEADMN CN1CC[N@H+](Cc2ccsc2)C(C)(C)C1 ZINC000093457454 345671891 /nfs/dbraw/zinc/67/18/91/345671891.db2.gz MCHQMMQOAWFDSV-UHFFFAOYSA-N 0 1 224.373 2.274 20 0 BEADMN CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1C ZINC000115447578 345676631 /nfs/dbraw/zinc/67/66/31/345676631.db2.gz ZXGMEVPKWZZZKC-OAHLLOKOSA-N 0 1 232.371 2.459 20 0 BEADMN c1ccc(CCCSCc2nn[nH]n2)cc1 ZINC000095168551 345682359 /nfs/dbraw/zinc/68/23/59/345682359.db2.gz IDBTYTRAMMIBGG-UHFFFAOYSA-N 0 1 234.328 2.066 20 0 BEADMN CCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000149150330 345715556 /nfs/dbraw/zinc/71/55/56/345715556.db2.gz LZNOJQVYNTUWKY-UHFFFAOYSA-N 0 1 203.245 2.220 20 0 BEADMN CC[N@H+](C/C=C\c1ccccc1)CCC(=O)[O-] ZINC000204386000 345732312 /nfs/dbraw/zinc/73/23/12/345732312.db2.gz KYKLHEACYVDXPH-TWGQIWQCSA-N 0 1 233.311 2.496 20 0 BEADMN C[C@H](C(=O)NCC[C@@H]1CCCC[C@H]1C)N(C)C ZINC000635567851 345823628 /nfs/dbraw/zinc/82/36/28/345823628.db2.gz DOXFEJGMAKVOGS-UPJWGTAASA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000635568089 345823801 /nfs/dbraw/zinc/82/38/01/345823801.db2.gz HDHTVPNEJARIDZ-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN C(Nc1nc(C2CC2)ns1)[C@H]1CC12CC2 ZINC000418981962 192091092 /nfs/dbraw/zinc/09/10/92/192091092.db2.gz AOYOHSDEGLCWQE-MRVPVSSYSA-N 0 1 221.329 2.049 20 0 BEADMN CC(C)(C)c1nnc(NC[C@@H]2CC23CC3)s1 ZINC000418983386 192091286 /nfs/dbraw/zinc/09/12/86/192091286.db2.gz BZPAOWSGUIQMOW-QMMMGPOBSA-N 0 1 237.372 2.470 20 0 BEADMN Cc1cnc(CNC[C@@]2(C)CCCO2)s1 ZINC000394738106 323096784 /nfs/dbraw/zinc/09/67/84/323096784.db2.gz XUHWGYYIFGBLCC-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635600472 345887251 /nfs/dbraw/zinc/88/72/51/345887251.db2.gz ZRULYYGRXFAVQK-GRYCIOLGSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1cnc(C2CC2)o1 ZINC000628214320 345892673 /nfs/dbraw/zinc/89/26/73/345892673.db2.gz SOBLLDHVSKNUOH-CABZTGNLSA-N 0 1 238.331 2.049 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635614742 345893666 /nfs/dbraw/zinc/89/36/66/345893666.db2.gz FHJKIRMOGMZQRQ-IRCOFANPSA-N 0 1 249.358 2.454 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@H]1CCN1C1CCCC1 ZINC000635583245 345879584 /nfs/dbraw/zinc/87/95/84/345879584.db2.gz QJWPWCCNKBXYQZ-TZMCWYRMSA-N 0 1 248.370 2.228 20 0 BEADMN C[C@H](C(=O)N1CC2(CC2)c2ccccc21)N(C)C ZINC000635593858 345885995 /nfs/dbraw/zinc/88/59/95/345885995.db2.gz FPEVWQDMGWJDTJ-LLVKDONJSA-N 0 1 244.338 2.015 20 0 BEADMN C[C@H](C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)N(C)C ZINC000635623200 345897847 /nfs/dbraw/zinc/89/78/47/345897847.db2.gz NWIUCSDUNGITBH-RAIGVLPGSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)N(C)C ZINC000635625680 345899293 /nfs/dbraw/zinc/89/92/93/345899293.db2.gz VXECUHNNQDMIGJ-YRGRVCCFSA-N 0 1 246.354 2.156 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635647842 345924226 /nfs/dbraw/zinc/92/42/26/345924226.db2.gz KJWGGBFAUTVOTD-IJLUTSLNSA-N 0 1 249.358 2.408 20 0 BEADMN CC(C)Cc1nsc(NC[C@@H]2CC23CC3)n1 ZINC000418972422 192093012 /nfs/dbraw/zinc/09/30/12/192093012.db2.gz BZQZIHBBCMLTPU-VIFPVBQESA-N 0 1 237.372 2.371 20 0 BEADMN CO[C@H](CNCc1cnc(C)o1)C(C)(C)C ZINC000628222325 345960493 /nfs/dbraw/zinc/96/04/93/345960493.db2.gz NAMKVVBLNCDKPY-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCCCC1(C)C)N(C)C ZINC000635674969 345971970 /nfs/dbraw/zinc/97/19/70/345971970.db2.gz GDXDPKRTHYJOTM-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)CN(CC(C)(C)C)C(=O)[C@@H](C)N(C)C ZINC000635688614 345973698 /nfs/dbraw/zinc/97/36/98/345973698.db2.gz FOYZOUKPGAFNNS-GFCCVEGCSA-N 0 1 242.407 2.467 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000635757137 346051858 /nfs/dbraw/zinc/05/18/58/346051858.db2.gz DQLIJWHIZINQTN-STQMWFEESA-N 0 1 238.375 2.284 20 0 BEADMN CCN1CCN(C(=O)CC(C)=C(C)C)C[C@@H]1C ZINC000635732370 346042771 /nfs/dbraw/zinc/04/27/71/346042771.db2.gz MBTBCCWTJIXSTG-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN O=C(NCCC1=CCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635731043 346042919 /nfs/dbraw/zinc/04/29/19/346042919.db2.gz NTXJQOCPEZDYTD-VXGBXAGGSA-N 0 1 245.326 2.130 20 0 BEADMN CCN1CCN(C(=O)CC(C)=C(C)C)C[C@H]1C ZINC000635732369 346043167 /nfs/dbraw/zinc/04/31/67/346043167.db2.gz MBTBCCWTJIXSTG-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CCCNc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000635786802 346069576 /nfs/dbraw/zinc/06/95/76/346069576.db2.gz PADHCTQPYQREGG-LLVKDONJSA-N 0 1 249.358 2.397 20 0 BEADMN C[C@H](C(=O)Nc1cccc2cc[nH]c21)N(C)C ZINC000635815443 346071546 /nfs/dbraw/zinc/07/15/46/346071546.db2.gz BFWPBYFCEYUFQC-SECBINFHSA-N 0 1 231.299 2.057 20 0 BEADMN C[C@H]1CCCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635813578 346075491 /nfs/dbraw/zinc/07/54/91/346075491.db2.gz DIODPXDPYIHDRP-QJPTWQEYSA-N 0 1 247.342 2.162 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCCC(C)(C)C1)N(C)C ZINC000635837633 346082270 /nfs/dbraw/zinc/08/22/70/346082270.db2.gz ILEUFMNYSIJHSL-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635853742 346091245 /nfs/dbraw/zinc/09/12/45/346091245.db2.gz KPCJDDWIEMOWRQ-NXEZZACHSA-N 0 1 235.331 2.066 20 0 BEADMN C[C@H](C(=O)N(C)c1ccc2cc[nH]c2c1)N(C)C ZINC000635879923 346100094 /nfs/dbraw/zinc/10/00/94/346100094.db2.gz ZEUNDLOMNFOAIW-SNVBAGLBSA-N 0 1 245.326 2.081 20 0 BEADMN C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C)N(C)C ZINC000635885544 346102125 /nfs/dbraw/zinc/10/21/25/346102125.db2.gz BZNHJRHWAQWCMQ-LPWJVIDDSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H](C(=O)N(C)[C@@H](C)C1CCCCC1)N(C)C ZINC000635884680 346102200 /nfs/dbraw/zinc/10/22/00/346102200.db2.gz SEZMHQVRBKWUHH-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1CCN(C(=O)CC(C)=C(C)C)[C@@H](C)C1 ZINC000635917864 346109027 /nfs/dbraw/zinc/10/90/27/346109027.db2.gz CVXLPEULBBYIRZ-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C2CCC=CCC2)n[nH]1 ZINC000635927076 346117166 /nfs/dbraw/zinc/11/71/66/346117166.db2.gz WDGLLIOUSZTJJF-SECBINFHSA-N 0 1 248.330 2.037 20 0 BEADMN C[C@H](C(=O)NCC(C)(C)C(C)(C)C)N(C)C ZINC000635957649 346132371 /nfs/dbraw/zinc/13/23/71/346132371.db2.gz LOOWCWBYOQEBFV-SNVBAGLBSA-N 0 1 228.380 2.125 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc(C2CC2)n1 ZINC000635961479 346134568 /nfs/dbraw/zinc/13/45/68/346134568.db2.gz FRWHMDRMKULNQX-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CCC1(CC)CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635963150 346135087 /nfs/dbraw/zinc/13/50/87/346135087.db2.gz PIPFLXGSAYIVEM-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C(C)(C)C ZINC000635982438 346136237 /nfs/dbraw/zinc/13/62/37/346136237.db2.gz DJLAENNVVKUHKT-GHMZBOCLSA-N 0 1 228.380 2.268 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCC1=CCCCC1 ZINC000635983845 346137497 /nfs/dbraw/zinc/13/74/97/346137497.db2.gz CDSMYIOIIQEMFE-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)CC1 ZINC000563281905 323108045 /nfs/dbraw/zinc/10/80/45/323108045.db2.gz DZZJNPFFSMNSAV-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1c(NC(=O)[C@@H](C)N(C)C)ccc(F)c1F ZINC000636033941 346170462 /nfs/dbraw/zinc/17/04/62/346170462.db2.gz JCUHIHYHPOQGEH-MRVPVSSYSA-N 0 1 242.269 2.162 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1)N(C)C ZINC000636011071 346153072 /nfs/dbraw/zinc/15/30/72/346153072.db2.gz YERSMSIBTRVSSQ-RVMXOQNASA-N 0 1 240.391 2.268 20 0 BEADMN CCN(CCC1CC1)Cc1nc(C)c[nH]1 ZINC000628238747 346198860 /nfs/dbraw/zinc/19/88/60/346198860.db2.gz LWMAVKSHVTZLBI-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CC(C)C[C@@H](C)COCCc1c[nH]nn1 ZINC000419050100 192098521 /nfs/dbraw/zinc/09/85/21/192098521.db2.gz CTXXKTNKYQQVQW-SNVBAGLBSA-N 0 1 211.309 2.046 20 0 BEADMN COc1ccnc(NCc2oc(C)nc2C)c1 ZINC000628231290 346182652 /nfs/dbraw/zinc/18/26/52/346182652.db2.gz KCTNDCLSKMPNNV-UHFFFAOYSA-N 0 1 233.271 2.307 20 0 BEADMN Cc1ncc(CN[C@]2(C)CCO[C@@H]2C2CC2)o1 ZINC000628237487 346193067 /nfs/dbraw/zinc/19/30/67/346193067.db2.gz OWGPMIAFEPIHGN-CHWSQXEVSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ncc(CN[C@@]2(C)CCO[C@H]2C2CC2)o1 ZINC000628237490 346193388 /nfs/dbraw/zinc/19/33/88/346193388.db2.gz OWGPMIAFEPIHGN-STQMWFEESA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1cnc(C2CC2)o1 ZINC000628238333 346195380 /nfs/dbraw/zinc/19/53/80/346195380.db2.gz UKQUTFQZVABJAD-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN CC[C@@]1(NCc2cnc(C3CC3)o2)CCOC1 ZINC000628251890 346222582 /nfs/dbraw/zinc/22/25/82/346222582.db2.gz ZJSUBOYHLGXJBL-CYBMUJFWSA-N 0 1 236.315 2.211 20 0 BEADMN CC1CN(Cc2cnc3ccccc3n2)C1 ZINC000628255362 346249225 /nfs/dbraw/zinc/24/92/25/346249225.db2.gz KJXNENCWSCVEMO-UHFFFAOYSA-N 0 1 213.284 2.082 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1ccncc1N ZINC000641745226 362666864 /nfs/dbraw/zinc/66/68/64/362666864.db2.gz XNVKVBPSUBVPNS-NSHDSACASA-N 0 1 242.326 2.218 20 0 BEADMN CSc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)o1 ZINC000641749442 362669601 /nfs/dbraw/zinc/66/96/01/362669601.db2.gz SZCBWTDQKFNXKK-NXEZZACHSA-N 0 1 241.356 2.251 20 0 BEADMN C/C=C/C[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000626162997 346273983 /nfs/dbraw/zinc/27/39/83/346273983.db2.gz CGGVOQIJYFORFB-QAVQXKDTSA-N 0 1 246.358 2.067 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC000636127919 346328860 /nfs/dbraw/zinc/32/88/60/346328860.db2.gz IZPQCTNJKOIJQG-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](N[C@H](C)C(F)F)[C@@H]1C ZINC000603429069 349950543 /nfs/dbraw/zinc/95/05/43/349950543.db2.gz LPLUOFQELBBIQH-IMSYWVGJSA-N 0 1 249.301 2.207 20 0 BEADMN COC(=O)CC1CCC(N[C@H](C)C(F)F)CC1 ZINC000603428300 349950730 /nfs/dbraw/zinc/95/07/30/349950730.db2.gz GYWMWHQSNABKDB-XNWIYYODSA-N 0 1 249.301 2.352 20 0 BEADMN CC[C@@H](C)CC(=O)N(C)Cc1cn[nH]c1C ZINC000636068922 346309851 /nfs/dbraw/zinc/30/98/51/346309851.db2.gz UCZNNYAZCACRAI-SECBINFHSA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000636068912 346309888 /nfs/dbraw/zinc/30/98/88/346309888.db2.gz TVPGOZSNPHEOIW-MWLCHTKSSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1csc(C(=O)N(C)Cc2cn[nH]c2C)c1 ZINC000636070188 346310973 /nfs/dbraw/zinc/31/09/73/346310973.db2.gz KJWPXZKXXDZKQU-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1CCCCC1 ZINC000636071985 346311703 /nfs/dbraw/zinc/31/17/03/346311703.db2.gz HSJGDFGIUCXOOV-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1(C)CCCC1 ZINC000636078168 346312752 /nfs/dbraw/zinc/31/27/52/346312752.db2.gz NQLAEORYVUKNQK-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN CCC[C@](C)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000684433208 488312521 /nfs/dbraw/zinc/31/25/21/488312521.db2.gz TZAWXYKAJISNCL-OCCSQVGLSA-N 0 1 240.391 2.413 20 0 BEADMN O=C(NCC1=CCCC1)[C@@H]1CCN1C1CCCC1 ZINC000636227041 346360584 /nfs/dbraw/zinc/36/05/84/346360584.db2.gz LWRCGGUUUJNJDB-AWEZNQCLSA-N 0 1 248.370 2.230 20 0 BEADMN NCc1nccnc1NCc1ccccc1Cl ZINC001639178208 1172080353 /nfs/dbraw/zinc/08/03/53/1172080353.db2.gz IKZUNEOODPOKRL-UHFFFAOYSA-N 0 1 248.717 2.201 20 0 BEADMN CSc1ccc(CN[C@H]2CO[C@H](C)C2)o1 ZINC000641767493 362703067 /nfs/dbraw/zinc/70/30/67/362703067.db2.gz KOBYVSKXELYLAT-RKDXNWHRSA-N 0 1 227.329 2.269 20 0 BEADMN C[C@H](C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000636170444 346343309 /nfs/dbraw/zinc/34/33/09/346343309.db2.gz SMLUKLHCDZLKAB-XQHKEYJVSA-N 0 1 240.391 2.125 20 0 BEADMN O=C(NCC1CC=CC1)[C@@H]1CCN1C1CCCC1 ZINC000636254464 346370518 /nfs/dbraw/zinc/37/05/18/346370518.db2.gz YNFDDCXZSMVXHZ-AWEZNQCLSA-N 0 1 248.370 2.086 20 0 BEADMN CCCN(CC(C)C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000563370830 323121767 /nfs/dbraw/zinc/12/17/67/323121767.db2.gz AGWCGHZGORDVGG-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(SC)o1 ZINC000641774595 362714103 /nfs/dbraw/zinc/71/41/03/362714103.db2.gz NEPBMIYHHFVDDN-KOLCDFICSA-N 0 1 227.329 2.269 20 0 BEADMN C[C@H](C(=O)N1CC(C)(C)CCC1(C)C)N(C)C ZINC000636252058 346369223 /nfs/dbraw/zinc/36/92/23/346369223.db2.gz QUNQHSXCYBWKAT-LLVKDONJSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1cccc(C)n1 ZINC000356141356 179069715 /nfs/dbraw/zinc/06/97/15/179069715.db2.gz VOFQXDVPUPESHB-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cccc(CN(C)C[C@H]2CC[C@H](C)O2)n1 ZINC000336698313 179065874 /nfs/dbraw/zinc/06/58/74/179065874.db2.gz VXLKWXOUTXEVGP-GXTWGEPZSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)C(F)F ZINC000641792221 362725669 /nfs/dbraw/zinc/72/56/69/362725669.db2.gz SGISZRNQTFUWIV-UYXSQOIJSA-N 0 1 207.264 2.186 20 0 BEADMN Cc1ncncc1[C@@H](C)NC1CC(F)(F)C1 ZINC000574927186 346415903 /nfs/dbraw/zinc/41/59/03/346415903.db2.gz ZNBHIFRTYWMBBX-MRVPVSSYSA-N 0 1 227.258 2.233 20 0 BEADMN CCC[C@H](C)CN(C)[C@H](C)CS(=O)(=O)CC ZINC000245845418 323124064 /nfs/dbraw/zinc/12/40/64/323124064.db2.gz KZIDSXMKEMOKNG-NWDGAFQWSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1cccc(CN2CCN(C3CC3)CC2)c1F ZINC000294519705 179076801 /nfs/dbraw/zinc/07/68/01/179076801.db2.gz FDSLDAGKBNNBRL-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN COC[C@H](C)NCc1nc2cc(F)ccc2o1 ZINC000641790314 362724772 /nfs/dbraw/zinc/72/47/72/362724772.db2.gz QLYKQJCAHMRSFU-QMMMGPOBSA-N 0 1 238.262 2.091 20 0 BEADMN CCC(F)(F)C[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000641795401 362736544 /nfs/dbraw/zinc/73/65/44/362736544.db2.gz YLEFVUBVKZRMOO-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000641793295 362736110 /nfs/dbraw/zinc/73/61/10/362736110.db2.gz AANRYMULOCVTCP-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000641793295 362736115 /nfs/dbraw/zinc/73/61/15/362736115.db2.gz AANRYMULOCVTCP-BDAKNGLRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(O)(CC)CCNCc1nc(C)c(C)[nH]1 ZINC000563439682 323125838 /nfs/dbraw/zinc/12/58/38/323125838.db2.gz LKHOXBCPTPATAL-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN CC(C)c1cc(C(=O)N2OC3CCC2CC3)[nH]n1 ZINC000636408231 346485092 /nfs/dbraw/zinc/48/50/92/346485092.db2.gz OIHDVPCICLDENB-UHFFFAOYSA-N 0 1 249.314 2.232 20 0 BEADMN CC(C)CC[C@H](O)CN[C@H](C)c1ccon1 ZINC000309525528 347094757 /nfs/dbraw/zinc/09/47/57/347094757.db2.gz AZBPEAZGRQLGCV-MNOVXSKESA-N 0 1 226.320 2.122 20 0 BEADMN Cc1cccc(Cl)c1CN(C)CCCO ZINC000294891019 179107784 /nfs/dbraw/zinc/10/77/84/179107784.db2.gz AZSRTRGUEVGFFU-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN Cc1cccc(CNc2ccncc2C(N)=O)c1 ZINC000302222648 179102948 /nfs/dbraw/zinc/10/29/48/179102948.db2.gz NCCOICHZCOKJOH-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN C[C@@H]1CCN(CCCc2cnn(C)c2)C[C@@H]1F ZINC000679224176 488321142 /nfs/dbraw/zinc/32/11/42/488321142.db2.gz NVAYMKJYQDGVIH-YPMHNXCESA-N 0 1 239.338 2.033 20 0 BEADMN C[C@H]1CCN(CCc2ccccn2)C[C@@H]1F ZINC000679227972 488322449 /nfs/dbraw/zinc/32/24/49/488322449.db2.gz UMHIZVSQCMODPY-AAEUAGOBSA-N 0 1 222.307 2.304 20 0 BEADMN C[C@H](CN(C)C(=O)[C@H](C)N(C)C)C(C)(C)C ZINC000636428787 346525953 /nfs/dbraw/zinc/52/59/53/346525953.db2.gz QBSDHMZOVTYXHS-MNOVXSKESA-N 0 1 228.380 2.077 20 0 BEADMN Cc1ncc(C(=O)N(C)C[C@@H](C)C(C)(C)C)[nH]1 ZINC000636431539 346532077 /nfs/dbraw/zinc/53/20/77/346532077.db2.gz CGDHABYRUYNRAJ-SECBINFHSA-N 0 1 237.347 2.472 20 0 BEADMN C[C@@H](CN(C)C(=O)Cc1ccn[nH]1)C(C)(C)C ZINC000636432047 346532694 /nfs/dbraw/zinc/53/26/94/346532694.db2.gz OWLYSZRUJAVLJX-JTQLQIEISA-N 0 1 237.347 2.093 20 0 BEADMN C[C@H]1C[C@H](C)[N@H+](Cc2ncccc2[O-])C1 ZINC000580127648 346546311 /nfs/dbraw/zinc/54/63/11/346546311.db2.gz VVFSFSPULRQEAJ-UWVGGRQHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ncccc2[O-])C1 ZINC000580127648 346546314 /nfs/dbraw/zinc/54/63/14/346546314.db2.gz VVFSFSPULRQEAJ-UWVGGRQHSA-N 0 1 206.289 2.018 20 0 BEADMN CC(C)[N@H+](CCCCC(=O)[O-])CC(F)F ZINC000261585472 535051815 /nfs/dbraw/zinc/05/18/15/535051815.db2.gz QKIZHXDPADCUOJ-UHFFFAOYSA-N 0 1 223.263 2.217 20 0 BEADMN CC(C)[N@@H+](CCCCC(=O)[O-])CC(F)F ZINC000261585472 535051819 /nfs/dbraw/zinc/05/18/19/535051819.db2.gz QKIZHXDPADCUOJ-UHFFFAOYSA-N 0 1 223.263 2.217 20 0 BEADMN CCN1CC[N@@H+](CC2(SC)CCC2)C[C@H]1C ZINC000589498363 346709376 /nfs/dbraw/zinc/70/93/76/346709376.db2.gz UOJUTEQZFPVUTM-GFCCVEGCSA-N 0 1 242.432 2.298 20 0 BEADMN COC[C@@]1(C)CN(Cc2ccc(C)cc2)CCO1 ZINC000626172415 346714500 /nfs/dbraw/zinc/71/45/00/346714500.db2.gz YREXADJSCQIXAS-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN C[C@](O)(CN1CC(CC2CC2)C1)C(F)(F)F ZINC000621991812 370648169 /nfs/dbraw/zinc/64/81/69/370648169.db2.gz DHFJMJZSCUIIKI-JTQLQIEISA-N 0 1 237.265 2.032 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C2CC2)CC1 ZINC000590006865 346763135 /nfs/dbraw/zinc/76/31/35/346763135.db2.gz WQIGFCJTRCVFQI-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H](CCO)SCc1n[nH]c(C(C)(C)C)n1 ZINC000590058037 346769274 /nfs/dbraw/zinc/76/92/74/346769274.db2.gz BADGBNKSFJUNAT-MRVPVSSYSA-N 0 1 243.376 2.106 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000580657365 365852931 /nfs/dbraw/zinc/85/29/31/365852931.db2.gz YVECZTLJYIUPAY-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCC[C@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621993638 370650389 /nfs/dbraw/zinc/65/03/89/370650389.db2.gz PGIWOFKTHSYZES-QWRGUYRKSA-N 0 1 249.358 2.240 20 0 BEADMN CC(C)c1nc(CSC[C@@H]2CCCO2)n[nH]1 ZINC000589855590 346746639 /nfs/dbraw/zinc/74/66/39/346746639.db2.gz LMPSPJNDRCEIPE-VIFPVBQESA-N 0 1 241.360 2.340 20 0 BEADMN Cc1nc(CNC2[C@H](C)CCC[C@H]2C)no1 ZINC000182956196 347113521 /nfs/dbraw/zinc/11/35/21/347113521.db2.gz AVANHCTXGBEOSK-RKDXNWHRSA-N 0 1 223.320 2.292 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc(C)sc1C ZINC000378677708 346803533 /nfs/dbraw/zinc/80/35/33/346803533.db2.gz RGGSLKOYLTYXQW-ZYHUDNBSSA-N 0 1 240.372 2.417 20 0 BEADMN c1cn2c(n1)[C@H](NCCOC1CCCCC1)CC2 ZINC000345358184 365862825 /nfs/dbraw/zinc/86/28/25/365862825.db2.gz WFAOWZQESCGUJU-CYBMUJFWSA-N 0 1 249.358 2.267 20 0 BEADMN CCCC[C@H](CC)CN1CCNC(=O)[C@@H]1C ZINC000183610244 347131623 /nfs/dbraw/zinc/13/16/23/347131623.db2.gz QZXAABIZTQFKET-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000580330346 347191499 /nfs/dbraw/zinc/19/14/99/347191499.db2.gz GYUBXXJGCFRYMA-VXGBXAGGSA-N 0 1 247.338 2.196 20 0 BEADMN CCc1nnc(C[N@@H+](C)C2CCCCC2)[nH]1 ZINC000185166467 347192663 /nfs/dbraw/zinc/19/26/63/347192663.db2.gz VVTGGTKHVTVKRB-UHFFFAOYSA-N 0 1 222.336 2.132 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1ccc(F)cc1O ZINC000380666104 347206748 /nfs/dbraw/zinc/20/67/48/347206748.db2.gz YXKBTGGMSUTYEX-OIBJUYFYSA-N 0 1 223.247 2.060 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1ccc(F)cc1F ZINC000353585331 187372577 /nfs/dbraw/zinc/37/25/77/187372577.db2.gz RFXVHCHNMQQCSM-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CCC[C@H](CNCc1cnc(C2CC2)o1)OC ZINC000628297069 347243509 /nfs/dbraw/zinc/24/35/09/347243509.db2.gz INFVPTZZJZJKGZ-LLVKDONJSA-N 0 1 238.331 2.457 20 0 BEADMN C[C@@H]1CN(Cc2cnc(C3CC3)o2)C[C@H](C)N1C ZINC000628296248 347244664 /nfs/dbraw/zinc/24/46/64/347244664.db2.gz CIUYQXDIEBVVPV-PHIMTYICSA-N 0 1 249.358 2.076 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1csc(C)n1)C1CC1 ZINC000388278572 347286764 /nfs/dbraw/zinc/28/67/64/347286764.db2.gz KDLCOUWBJTZOSQ-PELKAZGASA-N 0 1 240.372 2.355 20 0 BEADMN C[C@@H](C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C)N(C)C ZINC000684756121 488340030 /nfs/dbraw/zinc/34/00/30/488340030.db2.gz BZNHJRHWAQWCMQ-VOAKCMCISA-N 0 1 240.391 2.125 20 0 BEADMN C=Cn1cc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000382376256 347297261 /nfs/dbraw/zinc/29/72/61/347297261.db2.gz HYQNKMBMTBXXRH-VXGBXAGGSA-N 0 1 223.295 2.354 20 0 BEADMN CO[C@@H]([C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000388297497 347300191 /nfs/dbraw/zinc/30/01/91/347300191.db2.gz LVECLZSEIBLOLK-DNIRFERGSA-N 0 1 249.358 2.292 20 0 BEADMN Cc1cccc2c1CN(Cc1ccnn1C)CC2 ZINC000277099159 179216827 /nfs/dbraw/zinc/21/68/27/179216827.db2.gz GKOYJWZSZSEMGC-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN Cc1cnc(CN[C@H]2CS[C@@H](C)C2)s1 ZINC000235712734 136749292 /nfs/dbraw/zinc/74/92/92/136749292.db2.gz CGVCPKIJUYWTQW-IONNQARKSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1sccc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616922286 347452721 /nfs/dbraw/zinc/45/27/21/347452721.db2.gz WSRKMUUPNXNLSD-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN Cc1cccc2ncc(CN[C@H](C)CF)n21 ZINC000309800390 179232046 /nfs/dbraw/zinc/23/20/46/179232046.db2.gz WGIHYSIRPMTMAV-SECBINFHSA-N 0 1 221.279 2.090 20 0 BEADMN C[C@H](C(=O)N(C)Cc1cnc[nH]1)C1CCCC1 ZINC000616925703 347457011 /nfs/dbraw/zinc/45/70/11/347457011.db2.gz NOESUYUBKHDXIB-JTQLQIEISA-N 0 1 235.331 2.194 20 0 BEADMN C[C@@H](C(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000616925784 347457089 /nfs/dbraw/zinc/45/70/89/347457089.db2.gz QABSQYGNAWYDLV-VIFPVBQESA-N 0 1 223.320 2.050 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)C(C)C ZINC000192940118 365885274 /nfs/dbraw/zinc/88/52/74/365885274.db2.gz CDTVAXMHMNXYQR-UHFFFAOYSA-N 0 1 223.320 2.322 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2cnc[nH]2)C[C@@H]1C ZINC000616928729 347494945 /nfs/dbraw/zinc/49/49/45/347494945.db2.gz KCAPNHPHXPHOOH-GRYCIOLGSA-N 0 1 249.358 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CC2CCC1CC2 ZINC000616929329 347497375 /nfs/dbraw/zinc/49/73/75/347497375.db2.gz YJJAOWUWTWDQHA-XIVSLSHWSA-N 0 1 247.342 2.194 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616926948 347459452 /nfs/dbraw/zinc/45/94/52/347459452.db2.gz WGSSIXZXEIEKEQ-JTQLQIEISA-N 0 1 237.347 2.440 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000616973862 347544919 /nfs/dbraw/zinc/54/49/19/347544919.db2.gz FCANZJBJJQZNSR-WDEREUQCSA-N 0 1 237.347 2.235 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000356493024 187377573 /nfs/dbraw/zinc/37/75/73/187377573.db2.gz XEFXJVQFWYVKAJ-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN CCCc1cc(C(=O)N2CCC[C@H]2C2CC2)n[nH]1 ZINC000590721065 347500609 /nfs/dbraw/zinc/50/06/09/347500609.db2.gz OVKZOHYUGBUJNU-ZDUSSCGKSA-N 0 1 247.342 2.377 20 0 BEADMN COc1cccc(C)c1NC(=O)c1cn[nH]c1C ZINC000192952485 365898257 /nfs/dbraw/zinc/89/82/57/365898257.db2.gz NWMPESHXGRJEQN-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000616975358 347546445 /nfs/dbraw/zinc/54/64/45/347546445.db2.gz BOCXQGUHVJGTDN-QWRGUYRKSA-N 0 1 249.358 2.162 20 0 BEADMN CCOC(=O)CN(C[C@H](CC)OC)C(C)(C)C ZINC000419228071 192107533 /nfs/dbraw/zinc/10/75/33/192107533.db2.gz GFNIOFJYZMWXBX-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C1CC1 ZINC000591159252 347626647 /nfs/dbraw/zinc/62/66/47/347626647.db2.gz FILRONOCAYGAAM-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1Cn1[nH]c(C2CC2)cc1=O ZINC000103963271 179275908 /nfs/dbraw/zinc/27/59/08/179275908.db2.gz FSMLYPWSNGXLQF-UHFFFAOYSA-N 0 1 228.295 2.493 20 0 BEADMN Cc1ccccc1CNC(=O)C(F)(F)F ZINC000112020004 179278126 /nfs/dbraw/zinc/27/81/26/179278126.db2.gz ZRYISLGTRSSGFI-UHFFFAOYSA-N 0 1 217.190 2.174 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCOCC1CCC1 ZINC000419185329 192108183 /nfs/dbraw/zinc/10/81/83/192108183.db2.gz KSAMZMJSLHZZAG-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CC/C=C/CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419230248 192108192 /nfs/dbraw/zinc/10/81/92/192108192.db2.gz YKJCPONVZOUYEF-VZUFXWRPSA-N 0 1 246.354 2.372 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CCN1CC1=CCCC1 ZINC000592106665 347734811 /nfs/dbraw/zinc/73/48/11/347734811.db2.gz KZSYTMBRILTUPO-WCQYABFASA-N 0 1 237.343 2.370 20 0 BEADMN CC1(C)CCN(CC2=CCCC2)CC[S@@]1=O ZINC000592125728 347738875 /nfs/dbraw/zinc/73/88/75/347738875.db2.gz IEJDDXKESHGBCC-INIZCTEOSA-N 0 1 241.400 2.330 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCOCC1CCC1 ZINC000419185333 192108776 /nfs/dbraw/zinc/10/87/76/192108776.db2.gz KSAMZMJSLHZZAG-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN CCN(CCSC)Cc1cccnc1OC ZINC000592202980 347754810 /nfs/dbraw/zinc/75/48/10/347754810.db2.gz UZEYQVWJLAPLNZ-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CCN(CCSC)Cc1conc1C ZINC000592531118 347796310 /nfs/dbraw/zinc/79/63/10/347796310.db2.gz SDHBJVVBNIMKOQ-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN CCCCCN1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001671188002 1172096102 /nfs/dbraw/zinc/09/61/02/1172096102.db2.gz FMQZLSRZUPWUHV-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](F)C[N@@H+]1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000577389725 365943037 /nfs/dbraw/zinc/94/30/37/365943037.db2.gz NOEXPIBWCGKRDD-LNFKQOIKSA-N 0 1 231.311 2.308 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CCCSC ZINC000075620975 323169754 /nfs/dbraw/zinc/16/97/54/323169754.db2.gz JOFXAEVBWNRNJO-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN COC[C@@H](C)N(C)Cc1ccc(OC)cc1F ZINC000577379781 365938772 /nfs/dbraw/zinc/93/87/72/365938772.db2.gz OQTHZLQFMSAYAW-SNVBAGLBSA-N 0 1 241.306 2.301 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000603485662 349979213 /nfs/dbraw/zinc/97/92/13/349979213.db2.gz VNZICJBXPRZEHR-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN Cc1ccccc1[C@@]1(F)CCN(CCCO)C1 ZINC000374321065 179333355 /nfs/dbraw/zinc/33/33/55/179333355.db2.gz PJRJTFMCFBUSBB-CQSZACIVSA-N 0 1 237.318 2.248 20 0 BEADMN CS[C@@H](C)CNCc1cc2n(n1)CCCC2 ZINC000594505592 348064761 /nfs/dbraw/zinc/06/47/61/348064761.db2.gz VKLPBZFEEYPNLF-JTQLQIEISA-N 0 1 239.388 2.061 20 0 BEADMN CCc1nc([C@@H](C)SC2CCOCC2)n[nH]1 ZINC000594895029 348128206 /nfs/dbraw/zinc/12/82/06/348128206.db2.gz YCZUNTZGHBJGGC-MRVPVSSYSA-N 0 1 241.360 2.340 20 0 BEADMN Cc1cccnc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339390242 179357404 /nfs/dbraw/zinc/35/74/04/179357404.db2.gz JSDZVFXYQAGJEC-SNVBAGLBSA-N 0 1 246.314 2.486 20 0 BEADMN CCc1nc([C@@H](C)[S@@](=O)C(CC)CC)n[nH]1 ZINC000594665218 348094813 /nfs/dbraw/zinc/09/48/13/348094813.db2.gz URFXMQPKAFUDFZ-VPTHRUTESA-N 0 1 243.376 2.365 20 0 BEADMN CCCCC[S@](=O)[C@H](C)c1n[nH]c(CC)n1 ZINC000594666432 348095580 /nfs/dbraw/zinc/09/55/80/348095580.db2.gz QBWOQAMGRVOSQG-ABKXIKBNSA-N 0 1 243.376 2.367 20 0 BEADMN CSCC1(CCNCc2cocn2)CC1 ZINC000594962606 348152165 /nfs/dbraw/zinc/15/21/65/348152165.db2.gz ITCPDDXMCGQTSN-UHFFFAOYSA-N 0 1 226.345 2.298 20 0 BEADMN CCOC(=O)CN(CC)CCCC1CCC1 ZINC000595295236 348215861 /nfs/dbraw/zinc/21/58/61/348215861.db2.gz VCMNFMHXWJDMFF-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CC1(C)CCCC[C@@H]1CN1CCS(=O)CC1 ZINC000595314090 348223809 /nfs/dbraw/zinc/22/38/09/348223809.db2.gz FMENLIRELSKEQC-GFCCVEGCSA-N 0 1 243.416 2.267 20 0 BEADMN COC(=O)C1(NCC2CC=CC2)CCCCC1 ZINC000595318402 348225102 /nfs/dbraw/zinc/22/51/02/348225102.db2.gz KMMWCNTWIMQYKR-UHFFFAOYSA-N 0 1 237.343 2.418 20 0 BEADMN CC(C)[C@H]1CN(CCOCC2CCC2)CCO1 ZINC000419252051 192115777 /nfs/dbraw/zinc/11/57/77/192115777.db2.gz SAKLXWRJIGTFLZ-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cc(OC)no1 ZINC000595424277 348245927 /nfs/dbraw/zinc/24/59/27/348245927.db2.gz VMSCHTWQQPAFPF-SECBINFHSA-N 0 1 244.360 2.257 20 0 BEADMN CCOC(=O)C[N@@H+](CC1CC=CC1)C1CCC1 ZINC000595440427 348250561 /nfs/dbraw/zinc/25/05/61/348250561.db2.gz JMGNEVWHDCPGRW-UHFFFAOYSA-N 0 1 237.343 2.370 20 0 BEADMN c1coc(CN[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106473972 187391314 /nfs/dbraw/zinc/39/13/14/187391314.db2.gz UCWSKLSDXWAGDY-LBPRGKRZSA-N 0 1 234.343 2.386 20 0 BEADMN Cc1cccnc1CN1CCS[C@H](C)C1 ZINC000180473589 179376711 /nfs/dbraw/zinc/37/67/11/179376711.db2.gz VFKYOVIXFKKAAL-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN COC(=O)C(C)(C)N(C)CCC=C(C)C ZINC000595371337 348231157 /nfs/dbraw/zinc/23/11/57/348231157.db2.gz CFLWJWTZOVUYDT-UHFFFAOYSA-N 0 1 213.321 2.226 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCC1CCC1 ZINC000595374114 348231925 /nfs/dbraw/zinc/23/19/25/348231925.db2.gz XWHNTAUVHWULER-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1cn(C)cn1 ZINC000595375677 348232780 /nfs/dbraw/zinc/23/27/80/348232780.db2.gz BWSCHKJGIAFNMK-NSHDSACASA-N 0 1 241.404 2.384 20 0 BEADMN COc1cc(CN2CCC[C@H]2CSC)on1 ZINC000595349751 348236785 /nfs/dbraw/zinc/23/67/85/348236785.db2.gz DYWHHIYSPQVHCV-VIFPVBQESA-N 0 1 242.344 2.011 20 0 BEADMN CS[C@@H]1CCN(Cc2nc(C)oc2C)C1 ZINC000595523875 348270528 /nfs/dbraw/zinc/27/05/28/348270528.db2.gz LQDTZBAXDGBOOS-SNVBAGLBSA-N 0 1 226.345 2.229 20 0 BEADMN CC[C@H](C)N(CC)Cc1oncc1C(=O)OC ZINC000595598835 348294528 /nfs/dbraw/zinc/29/45/28/348294528.db2.gz HSKWCGXDVOYYQS-VIFPVBQESA-N 0 1 240.303 2.082 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC000595742207 348318896 /nfs/dbraw/zinc/31/88/96/348318896.db2.gz XSFWJCPEDSHKQB-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)CN1CC[C@@H](C2CCCCC2)C1 ZINC000595739798 348319263 /nfs/dbraw/zinc/31/92/63/348319263.db2.gz QSGCSVKPPIZKST-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN COC(=O)[C@@H](C1CC1)N1CCC[C@H](CCF)C1 ZINC000595755000 348329659 /nfs/dbraw/zinc/32/96/59/348329659.db2.gz DSVXJZMQTMZCGC-ZYHUDNBSSA-N 0 1 243.322 2.010 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@@H](CCF)C1 ZINC000595755756 348330488 /nfs/dbraw/zinc/33/04/88/348330488.db2.gz PRDPTQJZPDDABS-QWRGUYRKSA-N 0 1 231.311 2.010 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)C2CC(F)(F)C2)n1 ZINC000529558107 323184006 /nfs/dbraw/zinc/18/40/06/323184006.db2.gz SZVSJTDBDCQOTM-RQJHMYQMSA-N 0 1 245.273 2.462 20 0 BEADMN CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419330203 192123010 /nfs/dbraw/zinc/12/30/10/192123010.db2.gz BNCGWQIWHAEODB-WOPDTQHZSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419330203 192123011 /nfs/dbraw/zinc/12/30/11/192123011.db2.gz BNCGWQIWHAEODB-WOPDTQHZSA-N 0 1 236.363 2.335 20 0 BEADMN CCOC(=O)[C@@H](CC)N(C)C[C@H]1CC1(C)C ZINC000595911996 348398657 /nfs/dbraw/zinc/39/86/57/348398657.db2.gz IEERYHVJSMLZPS-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CS[C@@H](C)C2)n1 ZINC000397840889 362922839 /nfs/dbraw/zinc/92/28/39/362922839.db2.gz BWUINUCLPRVIQX-CMPLNLGQSA-N 0 1 239.388 2.448 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000419375986 192129256 /nfs/dbraw/zinc/12/92/56/192129256.db2.gz SJMPVJYCBJYQSG-AXFHLTTASA-N 0 1 249.358 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000419375986 192129257 /nfs/dbraw/zinc/12/92/57/192129257.db2.gz SJMPVJYCBJYQSG-AXFHLTTASA-N 0 1 249.358 2.221 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnns1 ZINC000419365743 192128261 /nfs/dbraw/zinc/12/82/61/192128261.db2.gz YEORSKVASWUIDS-HRDYMLBCSA-N 0 1 211.334 2.014 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000419364634 192128295 /nfs/dbraw/zinc/12/82/95/192128295.db2.gz WZNQVAJFZRVVNQ-GRYCIOLGSA-N 0 1 248.374 2.164 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccccc2F)n[nH]1 ZINC000603522401 349991235 /nfs/dbraw/zinc/99/12/35/349991235.db2.gz FFHNNPFERUVQPL-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN Cc1ccncc1CCCN1C[C@H](C)OC[C@@H]1C ZINC000288997565 179476405 /nfs/dbraw/zinc/47/64/05/179476405.db2.gz DSPRWBKEGQJIRC-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN CCC1CCN(Cc2cnccn2)CC1 ZINC000205535154 348544010 /nfs/dbraw/zinc/54/40/10/348544010.db2.gz MZRLLSHQSMQWLP-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2cscn2)n1 ZINC000083338301 350000253 /nfs/dbraw/zinc/00/02/53/350000253.db2.gz NCWGUFROVMWNNI-ZETCQYMHSA-N 0 1 238.316 2.239 20 0 BEADMN CC/C=C\CNCc1cc(C)c(C(=O)OC)o1 ZINC000597138974 348661857 /nfs/dbraw/zinc/66/18/57/348661857.db2.gz VTEBAFUOULWMGW-WAYWQWQTSA-N 0 1 237.299 2.430 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@H](O)C(C)C)s1 ZINC000283921978 179578693 /nfs/dbraw/zinc/57/86/93/179578693.db2.gz KDZRQWXRDABYSC-JTQLQIEISA-N 0 1 242.388 2.293 20 0 BEADMN CCSCCNCc1nccc(OC)c1F ZINC000597209671 348679843 /nfs/dbraw/zinc/67/98/43/348679843.db2.gz UBWLSBYUWGKUMM-UHFFFAOYSA-N 0 1 244.335 2.072 20 0 BEADMN Cc1ccoc1CNCCOC(C)(C)C ZINC000308804870 348695497 /nfs/dbraw/zinc/69/54/97/348695497.db2.gz AOVVAIYKMOFFLZ-UHFFFAOYSA-N 0 1 211.305 2.493 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000054053207 348849739 /nfs/dbraw/zinc/84/97/39/348849739.db2.gz KSJOEJGJJHGLRL-QMMMGPOBSA-N 0 1 233.271 2.026 20 0 BEADMN Cc1cnccc1CNCc1ccoc1 ZINC000129711471 179702872 /nfs/dbraw/zinc/70/28/72/179702872.db2.gz TYKHLLOKNBTAFZ-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](CCCC(=O)[O-])C1 ZINC000308897276 349056123 /nfs/dbraw/zinc/05/61/23/349056123.db2.gz ZXXGXUNSZSGRLF-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN COC(=O)CCCCN1Cc2ccccc2C1 ZINC000599289670 349147946 /nfs/dbraw/zinc/14/79/46/349147946.db2.gz IDVHYANDGDFCGF-UHFFFAOYSA-N 0 1 233.311 2.346 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000078756549 490228101 /nfs/dbraw/zinc/22/81/01/490228101.db2.gz JCRZDEUJFQKSPW-JSGCOSHPSA-N 0 1 240.391 2.365 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000058266226 349170959 /nfs/dbraw/zinc/17/09/59/349170959.db2.gz MPMZHWAJLOZBFG-GFCCVEGCSA-N 0 1 249.310 2.134 20 0 BEADMN Cc1cc([C@H](C)NCCCC2(O)CCC2)no1 ZINC000421850605 192394596 /nfs/dbraw/zinc/39/45/96/192394596.db2.gz DKUVDMRLTKWOTR-NSHDSACASA-N 0 1 238.331 2.329 20 0 BEADMN CC[N@H+](CCC(=O)[O-])CCC1CCCC1 ZINC000300742385 349295731 /nfs/dbraw/zinc/29/57/31/349295731.db2.gz ITGRASFDEUDBEX-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCC1CC(NCc2ncccc2F)C1 ZINC000309028635 349313576 /nfs/dbraw/zinc/31/35/76/349313576.db2.gz CGDKBWXJUUIYHX-UHFFFAOYSA-N 0 1 208.280 2.499 20 0 BEADMN CCOC(=O)c1cc(C)n(-c2ccncc2C)n1 ZINC000601939123 349391986 /nfs/dbraw/zinc/39/19/86/349391986.db2.gz JDHHVXONOPQVDM-UHFFFAOYSA-N 0 1 245.282 2.061 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1sccc1OC ZINC000309043816 349400213 /nfs/dbraw/zinc/40/02/13/349400213.db2.gz MYWWTSYGBVPCCW-WCBMZHEXSA-N 0 1 227.329 2.024 20 0 BEADMN CC(C)SCC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000601961950 349402447 /nfs/dbraw/zinc/40/24/47/349402447.db2.gz ACPPSRWEDAFLGH-UHFFFAOYSA-N 0 1 243.372 2.210 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)CC(C)C ZINC000300846837 349361917 /nfs/dbraw/zinc/36/19/17/349361917.db2.gz DUNDSGVDKHHYGR-SNVBAGLBSA-N 0 1 201.310 2.075 20 0 BEADMN CC(C)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061448911 349368539 /nfs/dbraw/zinc/36/85/39/349368539.db2.gz QEPTYXOGSCLIBR-ZDUSSCGKSA-N 0 1 233.311 2.154 20 0 BEADMN CO[C@@H]1CCC[C@@H](N[C@H](C)C(F)F)C1 ZINC000389931713 490275088 /nfs/dbraw/zinc/27/50/88/490275088.db2.gz IZVPHYDHJXCYKR-IWSPIJDZSA-N 0 1 207.264 2.187 20 0 BEADMN CS[C@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000602005402 349411707 /nfs/dbraw/zinc/41/17/07/349411707.db2.gz IIHUOPDBBJFECY-KOLCDFICSA-N 0 1 226.345 2.438 20 0 BEADMN Cc1nc(CN[C@@H]2CCOC2(C)C)c(C)s1 ZINC000334433105 179971035 /nfs/dbraw/zinc/97/10/35/179971035.db2.gz CYOHFBHNOKZKKX-LLVKDONJSA-N 0 1 240.372 2.417 20 0 BEADMN Cc1nc(CN[C@@H]2CCO[C@H]2C)sc1C ZINC000121473821 179973622 /nfs/dbraw/zinc/97/36/22/179973622.db2.gz AXCQFFPVURLMPR-WCBMZHEXSA-N 0 1 226.345 2.027 20 0 BEADMN CCc1noc(CN2CCCCC[C@H]2C)n1 ZINC000603942352 350057944 /nfs/dbraw/zinc/05/79/44/350057944.db2.gz HDNPUOCYATWPTO-SNVBAGLBSA-N 0 1 223.320 2.397 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000309158513 350108732 /nfs/dbraw/zinc/10/87/32/350108732.db2.gz FGDMXMUNJSBBMP-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN Cc1nnc(NC(=O)C2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000183943024 180005785 /nfs/dbraw/zinc/00/57/85/180005785.db2.gz ZFESRBREQKQSBR-JWHQNHQBSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)CCC2CCCC2)[nH]1 ZINC000103253000 180007622 /nfs/dbraw/zinc/00/76/22/180007622.db2.gz NAFPDNPWXCVOCG-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN Cc1nnc(NC(=O)CCCC(C)(C)C)[nH]1 ZINC000103435616 180007666 /nfs/dbraw/zinc/00/76/66/180007666.db2.gz UVALKAMMOPECQI-UHFFFAOYSA-N 0 1 224.308 2.268 20 0 BEADMN Cc1nnc(NC(=O)c2cc3ccccc3o2)[nH]1 ZINC000103253450 180014516 /nfs/dbraw/zinc/01/45/16/180014516.db2.gz YQXWNGRNGAGXLW-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc3ccccc3o2)n1 ZINC000103253450 180014519 /nfs/dbraw/zinc/01/45/19/180014519.db2.gz YQXWNGRNGAGXLW-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])CC1CC1 ZINC000071287240 350097548 /nfs/dbraw/zinc/09/75/48/350097548.db2.gz AWPIGBSAJQWYOJ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccncc1 ZINC000071739090 350128348 /nfs/dbraw/zinc/12/83/48/350128348.db2.gz ISBNEUISKGHDNT-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN Cc1nc([C@@H](C)NCCCF)cs1 ZINC000336643612 180036082 /nfs/dbraw/zinc/03/60/82/180036082.db2.gz JIHMTBULCVRDFZ-SSDOTTSWSA-N 0 1 202.298 2.462 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H]2CCCO2)cs1 ZINC000022863174 180037873 /nfs/dbraw/zinc/03/78/73/180037873.db2.gz YFSRRIDSVMGOGF-SCZZXKLOSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H](CO)C(C)C)cs1 ZINC000336681788 180038523 /nfs/dbraw/zinc/03/85/23/180038523.db2.gz RRBIVUQEWCMRIT-MWLCHTKSSA-N 0 1 242.388 2.367 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2cnccc2C)n[nH]1 ZINC000331318910 180046476 /nfs/dbraw/zinc/04/64/76/180046476.db2.gz DQHZHAUDXMYARO-JTQLQIEISA-N 0 1 245.330 2.010 20 0 BEADMN Cc1nc([C@H](C)N2CCc3c2cccc3F)n[nH]1 ZINC000336284161 180046860 /nfs/dbraw/zinc/04/68/60/180046860.db2.gz UERGLYXGVSLRLK-QMMMGPOBSA-N 0 1 246.289 2.376 20 0 BEADMN Cc1ccc(CN(C)[C@@H](C)c2n[nH]c(C)n2)o1 ZINC000331357867 180046877 /nfs/dbraw/zinc/04/68/77/180046877.db2.gz ULCYUVLBQRBKHH-VIFPVBQESA-N 0 1 234.303 2.208 20 0 BEADMN Cc1nc([C@H](C)NCC2(CO)CCC2)cs1 ZINC000309510648 180049807 /nfs/dbraw/zinc/04/98/07/180049807.db2.gz XETMJDZYSMRSBU-VIFPVBQESA-N 0 1 240.372 2.265 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CC[C@@H](CO)C2)cs1 ZINC000296658273 180051732 /nfs/dbraw/zinc/05/17/32/180051732.db2.gz ZOGSTIBBVBECOZ-GDPRMGEGSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@H](C)SC[C@H]2CCCO2)n[nH]1 ZINC000334057439 180052533 /nfs/dbraw/zinc/05/25/33/180052533.db2.gz WFKJECKSQIGATI-IONNQARKSA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nnc([C@H]2CCCCN2CCC2CC2)[nH]1 ZINC000336708266 180053915 /nfs/dbraw/zinc/05/39/15/180053915.db2.gz RQJFRBBQCRTQKR-GFCCVEGCSA-N 0 1 234.347 2.440 20 0 BEADMN Cc1nc2c(cccc2C(=O)N(C)CC2CC2)[nH]1 ZINC000283400508 180062563 /nfs/dbraw/zinc/06/25/63/180062563.db2.gz HDJDBTQIMGTUNJ-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN Cc1ncc(C(=O)N2Cc3ccccc3[C@@H]2C)[nH]1 ZINC000336305166 180128517 /nfs/dbraw/zinc/12/85/17/180128517.db2.gz SDZZWUHCNFZZOW-VIFPVBQESA-N 0 1 241.294 2.435 20 0 BEADMN Cc1ncc(C(=O)N2Cc3ccccc3[C@H]2C)[nH]1 ZINC000336305165 180129153 /nfs/dbraw/zinc/12/91/53/180129153.db2.gz SDZZWUHCNFZZOW-SECBINFHSA-N 0 1 241.294 2.435 20 0 BEADMN CCN(Cc1n[nH]c(C(C)C)n1)C1CCC1 ZINC000428246881 191051508 /nfs/dbraw/zinc/05/15/08/191051508.db2.gz MCOMPTLZYCIOCG-UHFFFAOYSA-N 0 1 222.336 2.303 20 0 BEADMN Cc1ncc(CN2CC(C(C)(C)C)C2)cn1 ZINC000334597697 180140776 /nfs/dbraw/zinc/14/07/76/180140776.db2.gz WSWXLZPUZPIPPX-UHFFFAOYSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1ncc(CN2CC(C3CCC3)C2)cn1 ZINC000335152050 180140941 /nfs/dbraw/zinc/14/09/41/180140941.db2.gz KFQQDARLUNNGPY-UHFFFAOYSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1ncc(CN2CCCC(C)(C)C2)cn1 ZINC000336493257 180144400 /nfs/dbraw/zinc/14/44/00/180144400.db2.gz BKBJAEGTOWBYJZ-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)[nH]1 ZINC000354724590 180128428 /nfs/dbraw/zinc/12/84/28/180128428.db2.gz DMUFJLIZQPCIFH-OPRDCNLKSA-N 0 1 235.331 2.225 20 0 BEADMN Cc1ncc(CNCc2cccs2)cn1 ZINC000309194688 180154459 /nfs/dbraw/zinc/15/44/59/180154459.db2.gz QHTHOVMIULMNJF-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CC[C@H](CC1CCCC1)C(=O)N1CCNCC1 ZINC000236941103 191067458 /nfs/dbraw/zinc/06/74/58/191067458.db2.gz YYLRYJFMXBAEOO-CYBMUJFWSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)c1nc(C[S@](=O)[C@H](C)C(C)C)n[nH]1 ZINC000427467648 191077055 /nfs/dbraw/zinc/07/70/55/191077055.db2.gz UORPKKKOPOZSKA-ABKXIKBNSA-N 0 1 243.376 2.221 20 0 BEADMN Cc1nccc(N2C[C@@H](O)C[C@H]2C)c1Cl ZINC000334307673 180195167 /nfs/dbraw/zinc/19/51/67/180195167.db2.gz DZAASFNTWUTYBB-APPZFPTMSA-N 0 1 226.707 2.003 20 0 BEADMN CCCC(CCC)[S@](=O)Cc1n[nH]c(C)n1 ZINC000427480580 191077731 /nfs/dbraw/zinc/07/77/31/191077731.db2.gz PUGFWLVNZUZERF-MRXNPFEDSA-N 0 1 243.376 2.331 20 0 BEADMN Cc1nccc(NCCC[S@@](C)=O)c1Cl ZINC000309011015 180198664 /nfs/dbraw/zinc/19/86/64/180198664.db2.gz PBCLJRYAJXKQBG-OAHLLOKOSA-N 0 1 246.763 2.224 20 0 BEADMN Cc1nccc(NC[C@H](O)C2CC2)c1Cl ZINC000308868394 180200337 /nfs/dbraw/zinc/20/03/37/180200337.db2.gz RJPIJJKURGODNT-JTQLQIEISA-N 0 1 226.707 2.226 20 0 BEADMN Cc1nccc(CN2CCCO[C@@H](C(C)C)C2)n1 ZINC000339810774 180183239 /nfs/dbraw/zinc/18/32/39/180183239.db2.gz GZGFQNSAAWKXNN-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000068334956 350230152 /nfs/dbraw/zinc/23/01/52/350230152.db2.gz AZIOIVXHXKAGJU-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN c1cc(C[NH2+]C[C@@H]2CCc3ccccc3C2)[nH]n1 ZINC000605008511 350236659 /nfs/dbraw/zinc/23/66/59/350236659.db2.gz BOBYQEQQEWHLDS-GFCCVEGCSA-N 0 1 241.338 2.304 20 0 BEADMN O=C1CCCC[C@@H]1Sc1nc(C2CC2)n[nH]1 ZINC000023204246 350259539 /nfs/dbraw/zinc/25/95/39/350259539.db2.gz QVABIKVKSWUTRC-VIFPVBQESA-N 0 1 237.328 2.286 20 0 BEADMN O=C1CCCC[C@@H]1Sc1n[nH]c(C2CC2)n1 ZINC000023204246 350259542 /nfs/dbraw/zinc/25/95/42/350259542.db2.gz QVABIKVKSWUTRC-VIFPVBQESA-N 0 1 237.328 2.286 20 0 BEADMN CC(C)(C)CNc1ccc2nn[nH]c2c1 ZINC000125145831 490416598 /nfs/dbraw/zinc/41/65/98/490416598.db2.gz AFQBFTXZOYJRSX-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN CC(C)(C)CNc1ccc2n[nH]nc2c1 ZINC000125145831 490416608 /nfs/dbraw/zinc/41/66/08/490416608.db2.gz AFQBFTXZOYJRSX-UHFFFAOYSA-N 0 1 204.277 2.416 20 0 BEADMN Cc1cnc(C(=O)Nc2ccc(C)nc2)c(O)c1 ZINC000427750459 191090825 /nfs/dbraw/zinc/09/08/25/191090825.db2.gz VEWLLOJPKPRMLA-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CCCCN(CC)C(=O)[C@@H](N)c1ccccc1 ZINC000019429424 350296745 /nfs/dbraw/zinc/29/67/45/350296745.db2.gz OAFUYZMOTHRXKL-ZDUSSCGKSA-N 0 1 234.343 2.335 20 0 BEADMN CC[C@H]1CCCC[C@@H]1N(C)c1nccnc1CN ZINC001639625270 1172123566 /nfs/dbraw/zinc/12/35/66/1172123566.db2.gz AMLKCPBJYHUIDK-AAEUAGOBSA-N 0 1 248.374 2.340 20 0 BEADMN Cc1cccc(N(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC000606364171 350319649 /nfs/dbraw/zinc/31/96/49/350319649.db2.gz SLHZJOYNTABPSD-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN Cc1ncsc1CCNCc1cscn1 ZINC000294942128 180311263 /nfs/dbraw/zinc/31/12/63/180311263.db2.gz GZHWJHSYEBGJMT-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Cc1cc(CNCc2cccc3cc[nH]c32)[nH]n1 ZINC000606470531 350340877 /nfs/dbraw/zinc/34/08/77/350340877.db2.gz BKKPJSFAGUOKGE-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN CCC[C@H](CC)NC(=O)NCc1cc(C)[nH]n1 ZINC000606494652 350345826 /nfs/dbraw/zinc/34/58/26/350345826.db2.gz UUCSGFYPYJZVOT-JTQLQIEISA-N 0 1 238.335 2.096 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc2cc[nH]c2c1 ZINC001639640598 1172125326 /nfs/dbraw/zinc/12/53/26/1172125326.db2.gz VKZGHHNVIGIEGS-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CCCN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000069092469 350328672 /nfs/dbraw/zinc/32/86/72/350328672.db2.gz VRHNRHLQOXVNJH-CQSZACIVSA-N 0 1 246.354 2.348 20 0 BEADMN CCN(Cc1cnns1)C1CCCC1 ZINC000336675886 350437355 /nfs/dbraw/zinc/43/73/55/350437355.db2.gz BXXCQYLUUZQAIW-UHFFFAOYSA-N 0 1 211.334 2.303 20 0 BEADMN Cc1nn(C)c(Cl)c1CN[C@H]1CC1(C)C ZINC000136158014 180351436 /nfs/dbraw/zinc/35/14/36/180351436.db2.gz GIOWCKOKLPNURB-VIFPVBQESA-N 0 1 227.739 2.270 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cnccc1C ZINC000162695384 350413228 /nfs/dbraw/zinc/41/32/28/350413228.db2.gz LSUFWTYPBYWJKD-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccc(F)cc1 ZINC000020090594 180340586 /nfs/dbraw/zinc/34/05/86/180340586.db2.gz ZNVBSKAMOFTARL-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CCCCCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000163001891 350492686 /nfs/dbraw/zinc/49/26/86/350492686.db2.gz ZZKLNRAVXCIJNI-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@H]3CCC[C@H]32)O1 ZINC000336725943 350483503 /nfs/dbraw/zinc/48/35/03/350483503.db2.gz RXRSODBGXMJDDN-UPJWGTAASA-N 0 1 239.359 2.197 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cncs1 ZINC000157460000 180382966 /nfs/dbraw/zinc/38/29/66/180382966.db2.gz VLIZCIAOGJNFPG-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(C)(CC)CC1 ZINC000060941586 350500057 /nfs/dbraw/zinc/50/00/57/350500057.db2.gz PQRAPAWQPSWPOC-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCC[C@H]32)n1C1CC1 ZINC000336547938 180410991 /nfs/dbraw/zinc/41/09/91/180410991.db2.gz BRTJUXAUWVCZGZ-DGCLKSJQSA-N 0 1 246.358 2.296 20 0 BEADMN C[C@H](N[C@@H]1CCOC(C)(C)C1)C(F)F ZINC000228519634 350545646 /nfs/dbraw/zinc/54/56/46/350545646.db2.gz PSVKHVVBIUAIAM-JGVFFNPUSA-N 0 1 207.264 2.187 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000354163039 350634477 /nfs/dbraw/zinc/63/44/77/350634477.db2.gz LAAZHQCCICYPMG-NWDGAFQWSA-N 0 1 226.364 2.022 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)C(C)C ZINC000112858805 350709885 /nfs/dbraw/zinc/70/98/85/350709885.db2.gz PIDTWUZGPZCYJS-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CCCCOCc1nc([C@@H](N)CC(C)C)no1 ZINC000339366436 350752089 /nfs/dbraw/zinc/75/20/89/350752089.db2.gz NHPLGMJVWJSRBP-JTQLQIEISA-N 0 1 241.335 2.432 20 0 BEADMN CC[C@@H](OC)c1nc([C@H](N)CC(C)C)no1 ZINC000339396265 350752587 /nfs/dbraw/zinc/75/25/87/350752587.db2.gz NCEFCNNQXISPFF-RKDXNWHRSA-N 0 1 227.308 2.213 20 0 BEADMN CCN(Cc1nc2ccccc2o1)[C@H](C)CO ZINC000339626115 350769378 /nfs/dbraw/zinc/76/93/78/350769378.db2.gz BLHWYDWLYRQWGZ-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000385132269 350773454 /nfs/dbraw/zinc/77/34/54/350773454.db2.gz LCZXILMSNFJGQM-INTQDDNPSA-N 0 1 238.331 2.201 20 0 BEADMN Cc1nocc1CN(C)CCc1ccccc1O ZINC000352869787 180503552 /nfs/dbraw/zinc/50/35/52/180503552.db2.gz PLHAFFURPXLHRJ-UHFFFAOYSA-N 0 1 246.310 2.363 20 0 BEADMN c1nnc([C@@H]2CCCN2Cc2ccccc2)[nH]1 ZINC000616607077 350800437 /nfs/dbraw/zinc/80/04/37/350800437.db2.gz IZASERADKSPDGF-LBPRGKRZSA-N 0 1 228.299 2.142 20 0 BEADMN CCc1nc(NC(=O)c2occc2C(C)C)n[nH]1 ZINC000339906804 350863266 /nfs/dbraw/zinc/86/32/66/350863266.db2.gz HCNOWALQXRUSIU-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN CCc1n[nH]c(NC(=O)c2occc2C(C)C)n1 ZINC000339906804 350863267 /nfs/dbraw/zinc/86/32/67/350863267.db2.gz HCNOWALQXRUSIU-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN C/C=C\CNCc1c(OC)cccc1OC ZINC000623738954 350881595 /nfs/dbraw/zinc/88/15/95/350881595.db2.gz CVCNJHROINVARC-PLNGDYQASA-N 0 1 221.300 2.370 20 0 BEADMN C/C=C\CNCc1cccc(OCC)n1 ZINC000623739046 350882973 /nfs/dbraw/zinc/88/29/73/350882973.db2.gz GPVULXMYHQSPRJ-HYXAFXHYSA-N 0 1 206.289 2.146 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]2CC(C)C)n[nH]1 ZINC000128899328 350886457 /nfs/dbraw/zinc/88/64/57/350886457.db2.gz DVXFIXXBPLKIHL-LLVKDONJSA-N 0 1 235.331 2.369 20 0 BEADMN CCCCNC(=O)CN1CCC(CC)CC1 ZINC000052279571 350943013 /nfs/dbraw/zinc/94/30/13/350943013.db2.gz UCLRHPZVIVIZGV-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN COc1ncncc1CN[C@@H]1CC12CCCCC2 ZINC000623569085 362996090 /nfs/dbraw/zinc/99/60/90/362996090.db2.gz UMUVNLIMXKWXER-GFCCVEGCSA-N 0 1 247.342 2.298 20 0 BEADMN CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2cnn[n-]2)C[C@@H]1C ZINC000623577864 363010147 /nfs/dbraw/zinc/01/01/47/363010147.db2.gz JKCIJJODUJDQFY-LOWVWBTDSA-N 0 1 236.363 2.355 20 0 BEADMN CC1(C)CCC[C@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000623578153 363010226 /nfs/dbraw/zinc/01/02/26/363010226.db2.gz XAYPGTWCKADVED-JTQLQIEISA-N 0 1 222.336 2.111 20 0 BEADMN CC(C)=CCNCc1cn2ccccc2n1 ZINC000219379029 191132461 /nfs/dbraw/zinc/13/24/61/191132461.db2.gz UOYSJCSMYNBBNH-UHFFFAOYSA-N 0 1 215.300 2.390 20 0 BEADMN CC[C@@H]1CCC[C@@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000398388075 351128107 /nfs/dbraw/zinc/12/81/07/351128107.db2.gz JMAXQJFXERURNL-GHMZBOCLSA-N 0 1 222.336 2.111 20 0 BEADMN Cc1nnc(SCc2cccnc2Cl)[nH]1 ZINC000052728901 351139615 /nfs/dbraw/zinc/13/96/15/351139615.db2.gz FQVVKTBKNWSTBO-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2cccnc2Cl)n1 ZINC000052728901 351139619 /nfs/dbraw/zinc/13/96/19/351139619.db2.gz FQVVKTBKNWSTBO-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1cc(CNC[C@@H]2CCC[C@@H](C)O2)on1 ZINC000631174513 351228896 /nfs/dbraw/zinc/22/88/96/351228896.db2.gz NJBIQOCPAHNFHI-MNOVXSKESA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ncc(CN2CCC[C@H](OC(C)C)C2)o1 ZINC000628323570 351234298 /nfs/dbraw/zinc/23/42/98/351234298.db2.gz AWNYOFCLLKKRMH-LBPRGKRZSA-N 0 1 238.331 2.372 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404151 351236800 /nfs/dbraw/zinc/23/68/00/351236800.db2.gz LAEPVNSGTJAOEF-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN CS[C@@H]1CCCC[C@H]1NCc1ccon1 ZINC000122435486 363015884 /nfs/dbraw/zinc/01/58/84/363015884.db2.gz GCYDEWKGZULZLD-GHMZBOCLSA-N 0 1 226.345 2.438 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000628337872 351281180 /nfs/dbraw/zinc/28/11/80/351281180.db2.gz TVYAVIURUUVYHR-XYPYZODXSA-N 0 1 236.315 2.209 20 0 BEADMN CCc1ncc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000414453475 351312498 /nfs/dbraw/zinc/31/24/98/351312498.db2.gz CXYXNSSTBUKPTL-WDEREUQCSA-N 0 1 223.295 2.019 20 0 BEADMN C[C@@H](NCc1nnc(C2CC2)o1)C(C)(C)C ZINC000072632888 351329618 /nfs/dbraw/zinc/32/96/18/351329618.db2.gz WZMAKEFODOXFPL-MRVPVSSYSA-N 0 1 223.320 2.471 20 0 BEADMN CC(C)(C)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000083407168 351266269 /nfs/dbraw/zinc/26/62/69/351266269.db2.gz IKFJBFBGQHFCBK-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)CN(Cc1ccn(C)n1)C1CC1 ZINC000271061541 351398046 /nfs/dbraw/zinc/39/80/46/351398046.db2.gz FVBNDSPIQXGOGU-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN CCC[C@H](CNCc1nccs1)OCC ZINC000623598702 363035715 /nfs/dbraw/zinc/03/57/15/363035715.db2.gz LHOUPCBQEKBLOY-SNVBAGLBSA-N 0 1 228.361 2.438 20 0 BEADMN CCC[C@@H](CNCc1nc(C)c[nH]1)OCC ZINC000623599962 363037499 /nfs/dbraw/zinc/03/74/99/363037499.db2.gz WOFLBIYFRJULPS-NSHDSACASA-N 0 1 225.336 2.013 20 0 BEADMN CCC[C@H](CNCc1nc(C)c[nH]1)OCC ZINC000623599961 363037789 /nfs/dbraw/zinc/03/77/89/363037789.db2.gz WOFLBIYFRJULPS-LLVKDONJSA-N 0 1 225.336 2.013 20 0 BEADMN CCC(O)(CC)CN(C)Cc1cncs1 ZINC000400129525 351510543 /nfs/dbraw/zinc/51/05/43/351510543.db2.gz ULUCUIYEIWHBSY-UHFFFAOYSA-N 0 1 228.361 2.126 20 0 BEADMN CC[C@@H](CC(=O)N1CCNC[C@@H]1C)C(C)(C)C ZINC000637815400 351654906 /nfs/dbraw/zinc/65/49/06/351654906.db2.gz AIZPJTHRTJLSJP-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000577738105 366047453 /nfs/dbraw/zinc/04/74/53/366047453.db2.gz OYGVIMLPYTZPHH-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CN(CC(C)(C)N1CCOCC1)c1ccccc1 ZINC000637826749 351674253 /nfs/dbraw/zinc/67/42/53/351674253.db2.gz GSVSVWQJIHFLEZ-UHFFFAOYSA-N 0 1 248.370 2.234 20 0 BEADMN CCC[N@@H+](CCO)Cc1ccc(C(F)F)nc1 ZINC000637856654 351717075 /nfs/dbraw/zinc/71/70/75/351717075.db2.gz HINHOCYWLFOVJI-UHFFFAOYSA-N 0 1 244.285 2.224 20 0 BEADMN CC[C@@H](C)N(C)Cc1cnc(OC)s1 ZINC000637912106 351785759 /nfs/dbraw/zinc/78/57/59/351785759.db2.gz RWIAMNGRJSARDT-MRVPVSSYSA-N 0 1 214.334 2.382 20 0 BEADMN CC[C@H](C)N(C)Cc1cnc(OC)s1 ZINC000637912107 351785822 /nfs/dbraw/zinc/78/58/22/351785822.db2.gz RWIAMNGRJSARDT-QMMMGPOBSA-N 0 1 214.334 2.382 20 0 BEADMN CC[N@H+](Cc1ccns1)C[C@@H]1CCOC1 ZINC000637925240 351798467 /nfs/dbraw/zinc/79/84/67/351798467.db2.gz ANLNLZXDQCFQNO-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C1CC1 ZINC000618864689 351800464 /nfs/dbraw/zinc/80/04/64/351800464.db2.gz MHAPNZILPJQMNT-OLZOCXBDSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1C[C@H](NC#N)CC[N@H+]1Cc1ccccc1 ZINC000307247702 351756214 /nfs/dbraw/zinc/75/62/14/351756214.db2.gz AIXVLJHXGBHVHX-GXTWGEPZSA-N 0 1 229.327 2.110 20 0 BEADMN Cc1cc(CN2CCC(CCO)CC2)sn1 ZINC000637889143 351757476 /nfs/dbraw/zinc/75/74/76/351757476.db2.gz GPJKVQIUTAMVJN-UHFFFAOYSA-N 0 1 240.372 2.046 20 0 BEADMN CCN(Cc1cnc(CCOC)s1)C1CC1 ZINC000637904280 351773590 /nfs/dbraw/zinc/77/35/90/351773590.db2.gz INTCWPDKIBMXOY-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CC[C@H](NC(=O)CCc1cnc[nH]1)[C@@H]1CC1(C)C ZINC000577840448 366079220 /nfs/dbraw/zinc/07/92/20/366079220.db2.gz XMFMCXLBUBWTTD-RYUDHWBXSA-N 0 1 249.358 2.283 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000637939177 351816180 /nfs/dbraw/zinc/81/61/80/351816180.db2.gz FUEFBXTXZDCUJG-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CC1(C)CCN(Cc2c[nH]cn2)CCS1 ZINC000280266467 351837705 /nfs/dbraw/zinc/83/77/05/351837705.db2.gz QGXVQAJVNVFMGE-UHFFFAOYSA-N 0 1 225.361 2.127 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000280558535 351850603 /nfs/dbraw/zinc/85/06/03/351850603.db2.gz QBAWXTPEZFGWOB-ZJUUUORDSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1cc(C[N@@H+](CCCCO)C2CC2)sn1 ZINC000638075609 351947608 /nfs/dbraw/zinc/94/76/08/351947608.db2.gz KIGGJBAEZRMSBJ-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cc(CN(CCCCO)C2CC2)sn1 ZINC000638075609 351947613 /nfs/dbraw/zinc/94/76/13/351947613.db2.gz KIGGJBAEZRMSBJ-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN CCCC[C@H](C)C(=O)Nc1nc(SC)n[nH]1 ZINC000282362995 351931253 /nfs/dbraw/zinc/93/12/53/351931253.db2.gz WFTDCDXXXMGFPL-ZETCQYMHSA-N 0 1 242.348 2.291 20 0 BEADMN CC(C)C1(CN(C)Cc2cc[nH]n2)CC1 ZINC000638065890 351937188 /nfs/dbraw/zinc/93/71/88/351937188.db2.gz ZAVPCGJQDGQKMF-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CC[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000618871182 351946244 /nfs/dbraw/zinc/94/62/44/351946244.db2.gz PAHKBRCGCMLTAR-LLVKDONJSA-N 0 1 243.310 2.481 20 0 BEADMN Cn1nccc1CN[C@@H](c1cccnc1)C1CC1 ZINC000340110072 351905093 /nfs/dbraw/zinc/90/50/93/351905093.db2.gz WKQKZQTZJZOKHX-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN CCC[C@H](C[N@H+]1CCS[C@H](C)C1)OC ZINC000638027390 351906005 /nfs/dbraw/zinc/90/60/05/351906005.db2.gz VHXMRURZDXLVNE-GHMZBOCLSA-N 0 1 217.378 2.239 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCOC2)c(F)c1 ZINC000638028951 351909349 /nfs/dbraw/zinc/90/93/49/351909349.db2.gz KXFUYZDZBFIDND-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1C[C@@H]2CCC[C@@H]21 ZINC000638083727 351959302 /nfs/dbraw/zinc/95/93/02/351959302.db2.gz KPGZPEKRSQYOKH-AVGNSLFASA-N 0 1 231.343 2.356 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1C[C@H]2CCC[C@H]21 ZINC000638083728 351959600 /nfs/dbraw/zinc/95/96/00/351959600.db2.gz KPGZPEKRSQYOKH-UPJWGTAASA-N 0 1 231.343 2.356 20 0 BEADMN C[N@H+](Cc1ccon1)CC1CCSCC1 ZINC000638102656 351981583 /nfs/dbraw/zinc/98/15/83/351981583.db2.gz WELCYYJVBJKMGS-UHFFFAOYSA-N 0 1 226.345 2.250 20 0 BEADMN CN(Cc1ccon1)CC1CCSCC1 ZINC000638102656 351981584 /nfs/dbraw/zinc/98/15/84/351981584.db2.gz WELCYYJVBJKMGS-UHFFFAOYSA-N 0 1 226.345 2.250 20 0 BEADMN CCN1C[C@H](C)N(Cc2ccns2)C[C@@H]1C ZINC000638101812 351982318 /nfs/dbraw/zinc/98/23/18/351982318.db2.gz RBJNCENISLZLOJ-QWRGUYRKSA-N 0 1 239.388 2.058 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ccns2)C1 ZINC000638149858 352013673 /nfs/dbraw/zinc/01/36/73/352013673.db2.gz QXVYHZRRWIYXNS-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000287173843 352116362 /nfs/dbraw/zinc/11/63/62/352116362.db2.gz OITLNZGIKTVWQD-NSHDSACASA-N 0 1 243.310 2.481 20 0 BEADMN CC[N@H+]1CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000638280803 352117163 /nfs/dbraw/zinc/11/71/63/352117163.db2.gz KHBIIVGPDSYUSN-LBPRGKRZSA-N 0 1 249.358 2.126 20 0 BEADMN Cn1ccc(CN2CCC(C)(C)CC2)n1 ZINC000336283700 180690160 /nfs/dbraw/zinc/69/01/60/180690160.db2.gz NFOANFUGZCWTNJ-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CC1(C)CN(Cc2ccncc2)[C@@H]1[C@@H]1CCCO1 ZINC000289917255 352202692 /nfs/dbraw/zinc/20/26/92/352202692.db2.gz UMLRTPTVFPHSBK-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CCN(Cc1ccn(C)c1)Cc1ccncc1 ZINC000289979780 352205981 /nfs/dbraw/zinc/20/59/81/352205981.db2.gz ZQYLDAUCVJJVTL-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN CCN(Cc1ccc(F)cn1)C[C@@H](C)OC ZINC000291142397 352263319 /nfs/dbraw/zinc/26/33/19/352263319.db2.gz CXLHGIYXUIIWJP-SNVBAGLBSA-N 0 1 226.295 2.078 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000411149323 191165061 /nfs/dbraw/zinc/16/50/61/191165061.db2.gz QGTCBRLBFUZKKY-AEJSXWLSSA-N 0 1 222.336 2.152 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1cncs1 ZINC000411169525 191165592 /nfs/dbraw/zinc/16/55/92/191165592.db2.gz TZCLSVOVJUXWSP-QWRGUYRKSA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1cncs1 ZINC000411169523 191165655 /nfs/dbraw/zinc/16/56/55/191165655.db2.gz TZCLSVOVJUXWSP-GHMZBOCLSA-N 0 1 240.372 2.185 20 0 BEADMN CC1(C)CC[C@@H](CO)N(Cc2ccns2)C1 ZINC000630074930 363159681 /nfs/dbraw/zinc/15/96/81/363159681.db2.gz UXFCTDMCYSGGSG-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN CCCCCC(=O)N1CCNC[C@@H]1C(C)C ZINC000638484864 352294820 /nfs/dbraw/zinc/29/48/20/352294820.db2.gz VENNBBYXMYKRCJ-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCNC[C@@H]1C(C)C ZINC000638490379 352299978 /nfs/dbraw/zinc/29/99/78/352299978.db2.gz WYEPWWYEBNWAFT-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1ccccc1C ZINC000292213319 352307669 /nfs/dbraw/zinc/30/76/69/352307669.db2.gz PYLQHLPFHBJARP-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN CCCN(CC(F)F)[C@@H](C)c1n[nH]c(C)n1 ZINC000411224301 191170292 /nfs/dbraw/zinc/17/02/92/191170292.db2.gz JDKCOIRYEVIGDS-ZETCQYMHSA-N 0 1 232.278 2.151 20 0 BEADMN CC[C@@H]1CCC[C@@H](CNCC(F)(F)CN)C1 ZINC000414927435 352323029 /nfs/dbraw/zinc/32/30/29/352323029.db2.gz LCMCJNCCFKZXFX-GHMZBOCLSA-N 0 1 234.334 2.386 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1cccc(F)c1 ZINC000292535400 352323572 /nfs/dbraw/zinc/32/35/72/352323572.db2.gz PKSAKFOWUVHURT-UHFFFAOYSA-N 0 1 234.278 2.279 20 0 BEADMN CCc1nc(CSc2ccncc2C)n[nH]1 ZINC000292889083 352331976 /nfs/dbraw/zinc/33/19/76/352331976.db2.gz WMHBWNBZRAKCDH-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CS[C@@H]1CCCCN(Cc2cn(C)cn2)C1 ZINC000618905458 352346913 /nfs/dbraw/zinc/34/69/13/352346913.db2.gz APTLYXLANJTCDT-GFCCVEGCSA-N 0 1 239.388 2.138 20 0 BEADMN CC(C)N(C)C(=O)CNC1(c2ccccc2)CC1 ZINC000411448395 191185645 /nfs/dbraw/zinc/18/56/45/191185645.db2.gz DEXUSPSBDRKEEP-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CC1(C)CN(Cc2c[nH]nn2)[C@@H]1c1cccs1 ZINC000295202177 352401314 /nfs/dbraw/zinc/40/13/14/352401314.db2.gz NKCLXWWQPGGWOK-LLVKDONJSA-N 0 1 248.355 2.449 20 0 BEADMN CNc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000638563582 352388464 /nfs/dbraw/zinc/38/84/64/352388464.db2.gz OVVOGJSDNRFSLE-CYBMUJFWSA-N 0 1 247.342 2.151 20 0 BEADMN C[C@H](O)CCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000411417761 191184064 /nfs/dbraw/zinc/18/40/64/191184064.db2.gz FBIKZFNNTLQRLE-IPYPFGDCSA-N 0 1 249.354 2.219 20 0 BEADMN CO[C@H]1C[N@@H+](CCc2cncs2)CC[C@@H]1C ZINC000411601377 191198186 /nfs/dbraw/zinc/19/81/86/191198186.db2.gz AEPQNSFDKZXEHS-JQWIXIFHSA-N 0 1 240.372 2.042 20 0 BEADMN C[C@](O)(CNCc1nc2ccccc2o1)C1CC1 ZINC000638588144 352417834 /nfs/dbraw/zinc/41/78/34/352417834.db2.gz VXBGSMRCICBCFU-AWEZNQCLSA-N 0 1 246.310 2.078 20 0 BEADMN CCN(CCC1CC1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411523392 191193187 /nfs/dbraw/zinc/19/31/87/191193187.db2.gz FITTUIFPXIKGSE-VIFPVBQESA-N 0 1 222.336 2.296 20 0 BEADMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)C(N)=O ZINC000037261332 358471405 /nfs/dbraw/zinc/47/14/05/358471405.db2.gz VDAPCEUKGQTMHX-ZJUUUORDSA-N 0 1 246.310 2.266 20 0 BEADMN CN(CCc1cncs1)Cc1ccccn1 ZINC000411789104 191211871 /nfs/dbraw/zinc/21/18/71/191211871.db2.gz OABHFMFFSFASHG-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN OCC[C@@H](NCc1ccns1)c1ccccc1 ZINC000638662519 352505991 /nfs/dbraw/zinc/50/59/91/352505991.db2.gz ABJIAOYZIJERML-CYBMUJFWSA-N 0 1 248.351 2.356 20 0 BEADMN C/C=C\CNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000638690014 352525897 /nfs/dbraw/zinc/52/58/97/352525897.db2.gz NSSYFVLQPHFPDN-QUCGXOGASA-N 0 1 238.718 2.032 20 0 BEADMN Cc1cnc([C@H](C)NC[C@@H]2CCCO2)s1 ZINC000045206278 352588437 /nfs/dbraw/zinc/58/84/37/352588437.db2.gz FSBGDLXULYQOSY-UWVGGRQHSA-N 0 1 226.345 2.281 20 0 BEADMN c1cc(CCN2CCO[C@H](C3CCC3)C2)ccn1 ZINC000411838134 191216745 /nfs/dbraw/zinc/21/67/45/191216745.db2.gz APEDUOVOSCEBDI-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCO[C@@H](C3CCC3)C2)O1 ZINC000411850782 191219362 /nfs/dbraw/zinc/21/93/62/191219362.db2.gz PGMLXOVJQRZLNU-MRVWCRGKSA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)OCCCN1CCO[C@@H](C2CCC2)C1 ZINC000411871487 191224660 /nfs/dbraw/zinc/22/46/60/191224660.db2.gz HQZYLXQQBSUBQE-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN CCCN[C@@H](C)c1nc(CC2CC2)no1 ZINC000087584168 535185342 /nfs/dbraw/zinc/18/53/42/535185342.db2.gz YZVLEVJSSNROFX-QMMMGPOBSA-N 0 1 209.293 2.083 20 0 BEADMN CC(C)COCCN1CCO[C@H](C2CCC2)C1 ZINC000411855152 191220314 /nfs/dbraw/zinc/22/03/14/191220314.db2.gz UMRRBCVPATYONA-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN c1ccc(CCN2CCO[C@@H](C3CCC3)C2)nc1 ZINC000411864269 191221971 /nfs/dbraw/zinc/22/19/71/191221971.db2.gz RSJCHOVUHYCTEU-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CCc1cccnc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000341247545 352698504 /nfs/dbraw/zinc/69/85/04/352698504.db2.gz QTGXVWPNKYSUFT-SGMGOOAPSA-N 0 1 246.354 2.232 20 0 BEADMN CO[C@@H](CNc1ccc2nn[nH]c2c1)CC(C)C ZINC000638762041 352699615 /nfs/dbraw/zinc/69/96/15/352699615.db2.gz QMESJPSJXZDYIB-LLVKDONJSA-N 0 1 248.330 2.431 20 0 BEADMN CO[C@@H](CNc1ccc2n[nH]nc2c1)CC(C)C ZINC000638762041 352699619 /nfs/dbraw/zinc/69/96/19/352699619.db2.gz QMESJPSJXZDYIB-LLVKDONJSA-N 0 1 248.330 2.431 20 0 BEADMN C[C@]1(CNCc2cc(C3CC3)no2)CCCO1 ZINC000638762357 352700135 /nfs/dbraw/zinc/70/01/35/352700135.db2.gz CVFVNSSBNYTBKB-CYBMUJFWSA-N 0 1 236.315 2.211 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CC1(F)F ZINC000638762729 352700364 /nfs/dbraw/zinc/70/03/64/352700364.db2.gz YWJHIWPTNOHCHE-SVRRBLITSA-N 0 1 238.241 2.414 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CC1(F)F ZINC000638762729 352700365 /nfs/dbraw/zinc/70/03/65/352700365.db2.gz YWJHIWPTNOHCHE-SVRRBLITSA-N 0 1 238.241 2.414 20 0 BEADMN CC[C@@H](C)[C@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762723 352700489 /nfs/dbraw/zinc/70/04/89/352700489.db2.gz YUUXQKXKEOTFAQ-RNCFNFMXSA-N 0 1 248.330 2.431 20 0 BEADMN CC[C@@H](C)[C@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762723 352700492 /nfs/dbraw/zinc/70/04/92/352700492.db2.gz YUUXQKXKEOTFAQ-RNCFNFMXSA-N 0 1 248.330 2.431 20 0 BEADMN CC[C@@H](C)[C@@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762722 352700544 /nfs/dbraw/zinc/70/05/44/352700544.db2.gz YUUXQKXKEOTFAQ-NOZJJQNGSA-N 0 1 248.330 2.431 20 0 BEADMN CC[C@@H](C)[C@@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762722 352700547 /nfs/dbraw/zinc/70/05/47/352700547.db2.gz YUUXQKXKEOTFAQ-NOZJJQNGSA-N 0 1 248.330 2.431 20 0 BEADMN CCN1CCN(C(=O)[C@@H](C)CC(C)C)[C@H](C)C1 ZINC000341803291 352728325 /nfs/dbraw/zinc/72/83/25/352728325.db2.gz ZMDXUWFAIORHTP-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCN1CCN(C(=O)C[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000341838921 352729174 /nfs/dbraw/zinc/72/91/74/352729174.db2.gz IRIRCFLHYYPJAH-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@H](CNCc1ncccc1F)CC(C)C ZINC000638780990 352733685 /nfs/dbraw/zinc/73/36/85/352733685.db2.gz ZAAQQZJONYIRML-NSHDSACASA-N 0 1 240.322 2.371 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(=O)[nH]n1 ZINC000353689116 352757344 /nfs/dbraw/zinc/75/73/44/352757344.db2.gz PUAGKVUNWUSYKT-RQJHMYQMSA-N 0 1 249.236 2.174 20 0 BEADMN Cc1cnc([C@H](C)N2CCN(C3CCC3)CC2)o1 ZINC000334175922 352761171 /nfs/dbraw/zinc/76/11/71/352761171.db2.gz CTKXBPVDMDIDEN-LBPRGKRZSA-N 0 1 249.358 2.214 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000334182615 352770810 /nfs/dbraw/zinc/77/08/10/352770810.db2.gz CCGIXSSGKADDEY-NSHDSACASA-N 0 1 222.336 2.125 20 0 BEADMN Cc1nnc(C[N@H+]2CCCC23CCC3)n1C1CC1 ZINC000334218736 352820337 /nfs/dbraw/zinc/82/03/37/352820337.db2.gz YMATUJUVWBIKLX-UHFFFAOYSA-N 0 1 246.358 2.440 20 0 BEADMN Cc1nnc(CN2CCCC23CCC3)n1C1CC1 ZINC000334218736 352820341 /nfs/dbraw/zinc/82/03/41/352820341.db2.gz YMATUJUVWBIKLX-UHFFFAOYSA-N 0 1 246.358 2.440 20 0 BEADMN CC1CN(C(=O)c2[nH]nc3ccc(Cl)cc32)C1 ZINC000334192055 352782742 /nfs/dbraw/zinc/78/27/42/352782742.db2.gz KBYIOCFPWRDWBV-UHFFFAOYSA-N 0 1 249.701 2.308 20 0 BEADMN COc1ccc(CN2CC=C(C)CC2)nc1 ZINC000334197694 352789563 /nfs/dbraw/zinc/78/95/63/352789563.db2.gz LNHAXBUQJUMZOO-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN Cc1cccnc1CN(C)[C@H]1CCCOC1 ZINC000334203603 352797703 /nfs/dbraw/zinc/79/77/03/352797703.db2.gz QZJKCQJRMHFDEI-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(NC(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000334210074 352806950 /nfs/dbraw/zinc/80/69/50/352806950.db2.gz GCJZPSALEYCMDJ-JTQLQIEISA-N 0 1 247.342 2.134 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCO[C@H]([C@@H](C)O)C1 ZINC000412087169 191254574 /nfs/dbraw/zinc/25/45/74/191254574.db2.gz NWFMWBATNPGCSB-GUTXKFCHSA-N 0 1 249.354 2.138 20 0 BEADMN CC1=CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000334251914 352888000 /nfs/dbraw/zinc/88/80/00/352888000.db2.gz VRBAFYSVVVYOLB-GFCCVEGCSA-N 0 1 236.359 2.086 20 0 BEADMN CC1=CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000334251914 352888001 /nfs/dbraw/zinc/88/80/01/352888001.db2.gz VRBAFYSVVVYOLB-GFCCVEGCSA-N 0 1 236.359 2.086 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)nc1 ZINC000334261387 352894039 /nfs/dbraw/zinc/89/40/39/352894039.db2.gz XSXPZWPFUWLJGX-OLZOCXBDSA-N 0 1 247.386 2.168 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cc(F)ccc1F ZINC000334265966 352901773 /nfs/dbraw/zinc/90/17/73/352901773.db2.gz MCFADNZZFBXDPB-RNCFNFMXSA-N 0 1 240.297 2.005 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@H]2C)ccn1 ZINC000334269549 352905469 /nfs/dbraw/zinc/90/54/69/352905469.db2.gz PSNNDRSPHXLECC-SNVBAGLBSA-N 0 1 206.289 2.075 20 0 BEADMN Cc1cnc(CN2CCCC(C)(C)C2)cn1 ZINC000334336859 352972441 /nfs/dbraw/zinc/97/24/41/352972441.db2.gz UEOGCIIPUWDVCG-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1scnc1C1CC1 ZINC000334341287 352977709 /nfs/dbraw/zinc/97/77/09/352977709.db2.gz IVKUVMWKLSRXKP-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2CCCC2)C[C@@H]1C ZINC000334352574 352989062 /nfs/dbraw/zinc/98/90/62/352989062.db2.gz HRNKZVYDOGCADC-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@H](C)[C@H]1C ZINC000334300387 352937776 /nfs/dbraw/zinc/93/77/76/352937776.db2.gz UJCLPDNKNMUUJZ-WCBMZHEXSA-N 0 1 235.331 2.322 20 0 BEADMN C[C@@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@H]1C ZINC000334302664 352938724 /nfs/dbraw/zinc/93/87/24/352938724.db2.gz FGVRKQYPUGIOAI-GHMZBOCLSA-N 0 1 248.374 2.170 20 0 BEADMN CC1(C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000334323455 352961440 /nfs/dbraw/zinc/96/14/40/352961440.db2.gz ZKCKUIGEGPJNQI-UHFFFAOYSA-N 0 1 215.256 2.302 20 0 BEADMN c1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC12CCC2 ZINC000334327672 352964026 /nfs/dbraw/zinc/96/40/26/352964026.db2.gz HMXJVMZPJFIYHI-WDEREUQCSA-N 0 1 232.331 2.035 20 0 BEADMN Cn1ncc(Cl)c1CN[C@H]1CSC1(C)C ZINC000282644243 180818957 /nfs/dbraw/zinc/81/89/57/180818957.db2.gz HIALFSSFKMREJG-VIFPVBQESA-N 0 1 245.779 2.057 20 0 BEADMN Cc1cnc(CN[C@H](C)c2n[nH]c(C(C)C)n2)o1 ZINC000638817613 352998174 /nfs/dbraw/zinc/99/81/74/352998174.db2.gz IQLVIJIKYRKYBV-SECBINFHSA-N 0 1 249.318 2.075 20 0 BEADMN CCN1C[C@@H](C)N(Cc2cncs2)C[C@H]1C ZINC000334396484 353069548 /nfs/dbraw/zinc/06/95/48/353069548.db2.gz CBLAJBNWFFOMPW-GHMZBOCLSA-N 0 1 239.388 2.058 20 0 BEADMN CC[C@](C)(C[N@H+]1CC[C@H](C)[C@H](F)C1)OC ZINC000638910516 353074939 /nfs/dbraw/zinc/07/49/39/353074939.db2.gz RRDYJWHGGVTEOU-QJPTWQEYSA-N 0 1 217.328 2.481 20 0 BEADMN CC[C@](C)(C[N@H+]1CC[C@@H](C)[C@@H](F)C1)OC ZINC000638910514 353074982 /nfs/dbraw/zinc/07/49/82/353074982.db2.gz RRDYJWHGGVTEOU-GRYCIOLGSA-N 0 1 217.328 2.481 20 0 BEADMN CCC(C)(C)CCNC(=O)c1ccnc(CN)c1 ZINC000638866701 353040549 /nfs/dbraw/zinc/04/05/49/353040549.db2.gz RKRZGFWPWHHKQJ-UHFFFAOYSA-N 0 1 249.358 2.096 20 0 BEADMN CCn1ncnc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000638874532 353044390 /nfs/dbraw/zinc/04/43/90/353044390.db2.gz VAKPRFDQDUODLF-CHWSQXEVSA-N 0 1 248.374 2.356 20 0 BEADMN CC(C)CC[C@](C)(O)CN[C@@H](C)c1ncc[nH]1 ZINC000428245952 538107877 /nfs/dbraw/zinc/10/78/77/538107877.db2.gz KUFPHUCVOLDYPO-AAEUAGOBSA-N 0 1 239.363 2.248 20 0 BEADMN COCC1(C)CCN(Cc2ccns2)CC1 ZINC000638929117 353098831 /nfs/dbraw/zinc/09/88/31/353098831.db2.gz NWKABYCWHKEBJR-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@H](C)C2(CCC2)C1 ZINC000334475378 353119251 /nfs/dbraw/zinc/11/92/51/353119251.db2.gz NWBRMPFVDPJPJA-RYUDHWBXSA-N 0 1 248.374 2.388 20 0 BEADMN N[C@@H](C(=O)N1CCCCCC1)c1ccccc1 ZINC000019512030 188059153 /nfs/dbraw/zinc/05/91/53/188059153.db2.gz YRYJHKYHAICTHW-CYBMUJFWSA-N 0 1 232.327 2.089 20 0 BEADMN CCOC(=O)CN(CC)CCC1CCC1 ZINC000398835363 353144991 /nfs/dbraw/zinc/14/49/91/353144991.db2.gz QLIAZLNEHXFFCY-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1Cc1nnnn1C1CC1 ZINC000355353665 188064461 /nfs/dbraw/zinc/06/44/61/188064461.db2.gz JROOZDHBAHVQGF-NSHDSACASA-N 0 1 249.362 2.019 20 0 BEADMN CC(C)N(Cc1nnc2n1CCCC2)C(C)C ZINC000368033942 188072707 /nfs/dbraw/zinc/07/27/07/188072707.db2.gz CPUPLLIECLBTPZ-UHFFFAOYSA-N 0 1 236.363 2.233 20 0 BEADMN COc1ccc(CN(C)[C@H](C)CO)c(Cl)c1 ZINC000305738338 188077527 /nfs/dbraw/zinc/07/75/27/188077527.db2.gz QPWPKEFEQAZVHZ-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CC2CCC1CC2 ZINC000378380004 188078678 /nfs/dbraw/zinc/07/86/78/188078678.db2.gz RMRDUKWCQNVIPK-HIFPTAJRSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)COCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000376737638 188078934 /nfs/dbraw/zinc/07/89/34/188078934.db2.gz BDVCTRSGMUXHCH-GXTWGEPZSA-N 0 1 241.375 2.158 20 0 BEADMN Cn1cccc1C(=O)CN1CC2CCC1CC2 ZINC000362623469 188080585 /nfs/dbraw/zinc/08/05/85/188080585.db2.gz RXSZZQLCMIHESG-UHFFFAOYSA-N 0 1 232.327 2.082 20 0 BEADMN C/C=C/C[C@H](CO)NCc1cccnc1Cl ZINC000185821769 188081238 /nfs/dbraw/zinc/08/12/38/188081238.db2.gz IMIVHSSSKMKPLN-KXMPLOMGSA-N 0 1 240.734 2.152 20 0 BEADMN CCCc1csc(CNCC2(O)CCC2)n1 ZINC000336782674 188083960 /nfs/dbraw/zinc/08/39/60/188083960.db2.gz YLCAXPXIBAGCPN-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CC(C)(C[NH2+]Cc1ccn[nH]1)C1CCC1 ZINC000294967125 188096471 /nfs/dbraw/zinc/09/64/71/188096471.db2.gz IRVRHZBOKNLVQH-UHFFFAOYSA-N 0 1 207.321 2.326 20 0 BEADMN Cc1cnc(CNCC[C@H]2CCCCO2)o1 ZINC000638972893 353178120 /nfs/dbraw/zinc/17/81/20/353178120.db2.gz UPQVOFRWIQXZKP-LLVKDONJSA-N 0 1 224.304 2.032 20 0 BEADMN CCc1cnc(CNC[C@H](OC)C(C)C)s1 ZINC000336762533 353203211 /nfs/dbraw/zinc/20/32/11/353203211.db2.gz LLPTYICUWLBCFQ-NSHDSACASA-N 0 1 242.388 2.466 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C2CCC2)o1 ZINC000102926245 188159339 /nfs/dbraw/zinc/15/93/39/188159339.db2.gz YMIZDNTZRXCIPY-NSHDSACASA-N 0 1 221.304 2.143 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)CCCC(=O)[O-] ZINC000300914516 188160065 /nfs/dbraw/zinc/16/00/65/188160065.db2.gz MFMTYIIMALRNRM-LLVKDONJSA-N 0 1 215.337 2.465 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccoc2)[nH]n1 ZINC000380150478 538111648 /nfs/dbraw/zinc/11/16/48/538111648.db2.gz AMHQOZHMXHKZSE-VIFPVBQESA-N 0 1 205.261 2.162 20 0 BEADMN CC(C)C1CC([NH2+]Cc2ncccc2[O-])C1 ZINC000336689790 188165231 /nfs/dbraw/zinc/16/52/31/188165231.db2.gz WDENWPAQHMZMNC-UHFFFAOYSA-N 0 1 220.316 2.311 20 0 BEADMN C/C(=C\C(=O)Nc1ccc2[nH]nnc2c1)C1CC1 ZINC000177856204 188165525 /nfs/dbraw/zinc/16/55/25/188165525.db2.gz BNDNAVARTHZILJ-SOFGYWHQSA-N 0 1 242.282 2.253 20 0 BEADMN CCCc1csc(CNCC[C@@H](O)CC)n1 ZINC000309930199 188170173 /nfs/dbraw/zinc/17/01/73/188170173.db2.gz XQCKBECGZOOGPQ-NSHDSACASA-N 0 1 242.388 2.346 20 0 BEADMN CCCc1cccc(CNCC(=O)NC(C)C)c1 ZINC000187101848 188171325 /nfs/dbraw/zinc/17/13/25/188171325.db2.gz FATAAVXXEKNFOW-UHFFFAOYSA-N 0 1 248.370 2.253 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1ncc(Cl)s1 ZINC000336760020 188171675 /nfs/dbraw/zinc/17/16/75/188171675.db2.gz LVZDVMKFKHCLRF-ZETCQYMHSA-N 0 1 248.779 2.293 20 0 BEADMN COc1ccnc(CN(C)C2CCC2)c1OC ZINC000190603604 188173372 /nfs/dbraw/zinc/17/33/72/188173372.db2.gz NYHBQSLFMGNNPF-UHFFFAOYSA-N 0 1 236.315 2.083 20 0 BEADMN CC(C)[C@@H](N)c1noc(CC(C)(C)C)n1 ZINC000041052674 188149982 /nfs/dbraw/zinc/14/99/82/188149982.db2.gz GREMAFFQOZPQQN-SECBINFHSA-N 0 1 211.309 2.314 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)[C@H](N)c1ccccc1 ZINC000638998817 353245022 /nfs/dbraw/zinc/24/50/22/353245022.db2.gz WTJNOWMAHIXONP-BXUZGUMPSA-N 0 1 246.354 2.381 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@H]1NCc1cocn1 ZINC000337311916 180905229 /nfs/dbraw/zinc/90/52/29/180905229.db2.gz VMSHAMHZLBUWTK-NXEZZACHSA-N 0 1 246.257 2.315 20 0 BEADMN C=Cn1cc(CN2CC[C@H](OCC(C)C)C2)cn1 ZINC000194067989 188174917 /nfs/dbraw/zinc/17/49/17/188174917.db2.gz PFLLEEYMTSMHHO-AWEZNQCLSA-N 0 1 249.358 2.231 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1ncc(Cl)s1 ZINC000336767682 188176428 /nfs/dbraw/zinc/17/64/28/188176428.db2.gz TVNFZFSKEWLKKT-SNVBAGLBSA-N 0 1 248.779 2.293 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1ncc(CC)s1 ZINC000336768001 188176665 /nfs/dbraw/zinc/17/66/65/188176665.db2.gz QMVVAGXAZRPPJE-ATPLWMGHSA-N 0 1 240.372 2.122 20 0 BEADMN CC(C)(C)c1nnc(CN[C@H]2CCC2(C)C)[nH]1 ZINC000331791354 188188759 /nfs/dbraw/zinc/18/87/59/188188759.db2.gz PXGDIOCVNUXUHX-VIFPVBQESA-N 0 1 236.363 2.380 20 0 BEADMN Cc1ccncc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339391889 188190689 /nfs/dbraw/zinc/19/06/89/188190689.db2.gz YOELIBJCLPWYRA-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(C(C)=O)c2)C[C@@H]1O ZINC000295751484 188214099 /nfs/dbraw/zinc/21/40/99/188214099.db2.gz ATFGXBMWPBTQOA-HIFRSBDPSA-N 0 1 247.338 2.092 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000295131639 188214169 /nfs/dbraw/zinc/21/41/69/188214169.db2.gz JYABDHDBBDCKDO-IUCAKERBSA-N 0 1 240.307 2.027 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nnc2n1CCCC2 ZINC000341805829 188218003 /nfs/dbraw/zinc/21/80/03/188218003.db2.gz FNEWEQHTUKGNCG-NSHDSACASA-N 0 1 236.363 2.091 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)NCc1cn[nH]c1C ZINC000274593477 188201434 /nfs/dbraw/zinc/20/14/34/188201434.db2.gz IOXFCPPOQLCOJJ-RMKNXTFCSA-N 0 1 235.331 2.327 20 0 BEADMN CC(C)=CCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000276896176 188202813 /nfs/dbraw/zinc/20/28/13/188202813.db2.gz NKQGSAHBGCLUJU-NSHDSACASA-N 0 1 248.330 2.053 20 0 BEADMN CC(=O)CCN1CCC=C(c2ccco2)C1 ZINC000285460079 188208254 /nfs/dbraw/zinc/20/82/54/188208254.db2.gz ZGKLVJOCGVISPE-UHFFFAOYSA-N 0 1 219.284 2.348 20 0 BEADMN CC(C)N(Cc1ccccc1)C1COC1 ZINC000289251934 188210988 /nfs/dbraw/zinc/21/09/88/188210988.db2.gz BMQIGHWNZAZTRM-UHFFFAOYSA-N 0 1 205.301 2.296 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@@H]1CCCO1)C2 ZINC000336369856 188229474 /nfs/dbraw/zinc/22/94/74/188229474.db2.gz MDSHMNGOQJDFOT-AWEZNQCLSA-N 0 1 217.312 2.490 20 0 BEADMN Cc1ccc2c(c1)CCN(Cc1cnc[nH]1)C2 ZINC000336310719 188229549 /nfs/dbraw/zinc/22/95/49/188229549.db2.gz RVBIKOWPYAGNGM-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN C[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)C(C)(C)C ZINC000343268330 353280707 /nfs/dbraw/zinc/28/07/07/353280707.db2.gz VVEPCCULDBBSLA-LLVKDONJSA-N 0 1 238.375 2.047 20 0 BEADMN CC(C)(C)[C@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000336460115 188230494 /nfs/dbraw/zinc/23/04/94/188230494.db2.gz IOYWOGRHGYMNTP-CHWSQXEVSA-N 0 1 241.375 2.302 20 0 BEADMN CCC(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000128121644 353282422 /nfs/dbraw/zinc/28/24/22/353282422.db2.gz WMCKNFMPMJPNER-LURJTMIESA-N 0 1 225.317 2.142 20 0 BEADMN CCC(=O)[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000128121644 353282424 /nfs/dbraw/zinc/28/24/24/353282424.db2.gz WMCKNFMPMJPNER-LURJTMIESA-N 0 1 225.317 2.142 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@H]2CCC[C@@H]21 ZINC000336370981 188228849 /nfs/dbraw/zinc/22/88/49/188228849.db2.gz UAOKXTLTDFIGGA-NEPJUHHUSA-N 0 1 248.374 2.408 20 0 BEADMN CCC[C@@H](CN(C)Cc1ccccn1)OC ZINC000639040838 353318716 /nfs/dbraw/zinc/31/87/16/353318716.db2.gz CJTXRQOOBBDRDK-ZDUSSCGKSA-N 0 1 222.332 2.329 20 0 BEADMN Cc1ccc(-c2cc(C(=O)N3CCC3)n[nH]2)cc1 ZINC000032238767 353352009 /nfs/dbraw/zinc/35/20/09/353352009.db2.gz AUNZJHNALMKEAY-UHFFFAOYSA-N 0 1 241.294 2.231 20 0 BEADMN CC(C)(O)CCNCc1nc2ccccc2o1 ZINC000639061782 353368967 /nfs/dbraw/zinc/36/89/67/353368967.db2.gz QNXZALCANRHHAT-UHFFFAOYSA-N 0 1 234.299 2.078 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C ZINC000608145214 353386313 /nfs/dbraw/zinc/38/63/13/353386313.db2.gz WSBLUXVJRJXWAA-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1COCCCN1Cc1cccc(C#N)c1 ZINC000398962082 353387495 /nfs/dbraw/zinc/38/74/95/353387495.db2.gz ZWEJXPGRJFYYCG-GFCCVEGCSA-N 0 1 230.311 2.169 20 0 BEADMN C[C@H](N[C@H]1CCOC(C)(C)C1)c1csnn1 ZINC000398313051 363218247 /nfs/dbraw/zinc/21/82/47/363218247.db2.gz BXGZACFIQWNWOH-IUCAKERBSA-N 0 1 241.360 2.146 20 0 BEADMN CC[C@@]1(C)C[N@@H+](CCC[C@H]2CCO2)CCO1 ZINC000639089183 353447255 /nfs/dbraw/zinc/44/72/55/353447255.db2.gz CQVCWYUISRQSAT-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN CN(CC[C@H]1CCCO1)Cc1ccns1 ZINC000639090557 353451152 /nfs/dbraw/zinc/45/11/52/353451152.db2.gz INPJDRNKCYYRJM-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CC(C)N1CCCC[C@@H]1C(=O)NCC(C)(F)F ZINC000563742544 353453752 /nfs/dbraw/zinc/45/37/52/353453752.db2.gz NOXKPTAPNKNUCL-SNVBAGLBSA-N 0 1 248.317 2.021 20 0 BEADMN CCS[C@H]1CCCC[N@H+]([C@@H](CC)C(=O)[O-])C1 ZINC000191418613 353469881 /nfs/dbraw/zinc/46/98/81/353469881.db2.gz VRHLCSVZPOOGEZ-QWRGUYRKSA-N 0 1 245.388 2.457 20 0 BEADMN Cc1ccoc1CN1CC2(C1)CCCOC2 ZINC000334512109 353525960 /nfs/dbraw/zinc/52/59/60/353525960.db2.gz RPTDPCQFZUUWQG-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000334512442 353539810 /nfs/dbraw/zinc/53/98/10/353539810.db2.gz URLPNFDWZXXGIN-CMPLNLGQSA-N 0 1 221.300 2.187 20 0 BEADMN CC1(C)C[C@H](C(=O)NOC2CCC2)C(C)(C)O1 ZINC000529445842 353500487 /nfs/dbraw/zinc/50/04/87/353500487.db2.gz SEBHNIGUWAGUIX-SNVBAGLBSA-N 0 1 241.331 2.180 20 0 BEADMN CC1(C)CCC(NC(=O)CCc2cnc[nH]2)CC1 ZINC000193340628 353584698 /nfs/dbraw/zinc/58/46/98/353584698.db2.gz JIRARCDQLHINHC-UHFFFAOYSA-N 0 1 249.358 2.427 20 0 BEADMN CCc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC000390188573 353570015 /nfs/dbraw/zinc/57/00/15/353570015.db2.gz MMDVLPWDLSWLGX-UHFFFAOYSA-N 0 1 216.284 2.227 20 0 BEADMN C[C@@H]1OCCN(C[C@H](O)CC2CCCC2)[C@H]1C ZINC000190721360 353635323 /nfs/dbraw/zinc/63/53/23/353635323.db2.gz GKBLMMYSJVWJOU-SGMGOOAPSA-N 0 1 241.375 2.037 20 0 BEADMN Cc1cc(CN[C@H]2CC23CCCC3)no1 ZINC000334515569 353610402 /nfs/dbraw/zinc/61/04/02/353610402.db2.gz LZLKXKHICHHFPR-NSHDSACASA-N 0 1 206.289 2.405 20 0 BEADMN C[C@H](O)CCCNCc1nc2ccccc2o1 ZINC000639111917 353702955 /nfs/dbraw/zinc/70/29/55/353702955.db2.gz DNNXTWJJVQICFY-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN Fc1cccc(F)c1CNCCOCC1CC1 ZINC000224528388 181000224 /nfs/dbraw/zinc/00/02/24/181000224.db2.gz SGXYKDCIRKIZGC-UHFFFAOYSA-N 0 1 241.281 2.481 20 0 BEADMN CC(C)(NCCC1CCOCC1)C(F)F ZINC000639119575 353758204 /nfs/dbraw/zinc/75/82/04/353758204.db2.gz LQKCNCQTVKKICJ-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN CC(C)[N@@H+](CC1CC1)CC1(CC(=O)[O-])CC1 ZINC000083854781 353799549 /nfs/dbraw/zinc/79/95/49/353799549.db2.gz PSFYYSDMZLMEES-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN CC1CN(Cc2ccccc2OCCCCO)C1 ZINC000639124322 353809083 /nfs/dbraw/zinc/80/90/83/353809083.db2.gz RREVIYIRKOGITH-UHFFFAOYSA-N 0 1 249.354 2.290 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@H]1CC=CCC1 ZINC000353827951 353831615 /nfs/dbraw/zinc/83/16/15/353831615.db2.gz QRCIFRBYYAZLBF-DVZHBHJUSA-N 0 1 241.400 2.184 20 0 BEADMN OC1(CN[C@H]2CCCc3scnc32)CCC1 ZINC000623891613 353881577 /nfs/dbraw/zinc/88/15/77/353881577.db2.gz QARLUFSGLNCNRL-VIFPVBQESA-N 0 1 238.356 2.025 20 0 BEADMN CC(C)(C)CCN1CC[S@@](=O)CC1(C)C ZINC000334521340 353885879 /nfs/dbraw/zinc/88/58/79/353885879.db2.gz JCIIUUWSFJEFJF-OAHLLOKOSA-N 0 1 231.405 2.266 20 0 BEADMN CC1(C)C[S@](=O)CCN1CC1CCCC1 ZINC000334521315 353886082 /nfs/dbraw/zinc/88/60/82/353886082.db2.gz GIFWJLQAORMLQF-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cn1 ZINC000343447217 353891323 /nfs/dbraw/zinc/89/13/23/353891323.db2.gz SMSOTWHKYMAAMN-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CO[C@H]1CCN(Cc2ccns2)[C@H](C)C1 ZINC000639136534 353846495 /nfs/dbraw/zinc/84/64/95/353846495.db2.gz NNONHKNACBPHTF-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN C/C=C\C[C@H](CO)N[C@@H](C)c1nccs1 ZINC000309041698 188524714 /nfs/dbraw/zinc/52/47/14/188524714.db2.gz LOSCMDRKHIXFSP-RWCMCFKCSA-N 0 1 226.345 2.121 20 0 BEADMN CCOCCN(C)Cc1cn(C(C)C)nc1C ZINC000343559782 353934649 /nfs/dbraw/zinc/93/46/49/353934649.db2.gz PBSSZTQJWWKDRT-UHFFFAOYSA-N 0 1 239.363 2.241 20 0 BEADMN C[C@@H](C1CCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC000343588547 353940908 /nfs/dbraw/zinc/94/09/08/353940908.db2.gz TUKHURFNOYNJCX-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@H](NC(=O)CN(CC)C1CC1)C(C)(C)C ZINC000343667451 353944596 /nfs/dbraw/zinc/94/45/96/353944596.db2.gz MIPFZDYCMLMNES-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)n1nccc1CN1CCCO[C@H](C)C1 ZINC000334525953 353898800 /nfs/dbraw/zinc/89/88/00/353898800.db2.gz HFLREUTZPDDGMG-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN CC(C)(C)[C@H](O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000343764342 353978160 /nfs/dbraw/zinc/97/81/60/353978160.db2.gz KSCYRZFMOAMWAS-VXGBXAGGSA-N 0 1 243.391 2.140 20 0 BEADMN COc1cncc(CN(C)[C@@H]2CC2(C)C)c1 ZINC000343777801 353987022 /nfs/dbraw/zinc/98/70/22/353987022.db2.gz YDLDVJJIHHRTPM-GFCCVEGCSA-N 0 1 220.316 2.321 20 0 BEADMN c1cnc(CN2CCS[C@H]3CCCC[C@H]32)cn1 ZINC000334549184 353988459 /nfs/dbraw/zinc/98/84/59/353988459.db2.gz AAAKSHJZKFHVLL-OLZOCXBDSA-N 0 1 249.383 2.337 20 0 BEADMN CCCN(CC)[C@@H](C)c1nc(CC)no1 ZINC000343649797 353953361 /nfs/dbraw/zinc/95/33/61/353953361.db2.gz PFZNDLHMAPNJOQ-VIFPVBQESA-N 0 1 211.309 2.425 20 0 BEADMN CCCN(CC)[C@H](C)c1nc(CC)no1 ZINC000343649796 353953483 /nfs/dbraw/zinc/95/34/83/353953483.db2.gz PFZNDLHMAPNJOQ-SECBINFHSA-N 0 1 211.309 2.425 20 0 BEADMN CCN(CC(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343675532 353960964 /nfs/dbraw/zinc/96/09/64/353960964.db2.gz XQMAHRPXUGVWJW-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C(C)C)C2)[nH]1 ZINC000334556845 354003126 /nfs/dbraw/zinc/00/31/26/354003126.db2.gz WPLJIUWUIUNZLP-GXSJLCMTSA-N 0 1 222.336 2.152 20 0 BEADMN CC[C@]1(C)CCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000334557188 354003630 /nfs/dbraw/zinc/00/36/30/354003630.db2.gz LNNKLUJSKGHLLY-JOYOIKCWSA-N 0 1 222.336 2.296 20 0 BEADMN CO[C@H](C)CN(C)[C@@H](C)c1cnc(C)nc1C ZINC000639165044 354010483 /nfs/dbraw/zinc/01/04/83/354010483.db2.gz BBIOFLGQLGUBRR-KOLCDFICSA-N 0 1 237.347 2.121 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(C(F)F)nc1 ZINC000639165042 354010530 /nfs/dbraw/zinc/01/05/30/354010530.db2.gz BALCSLPJKFHXEZ-VIFPVBQESA-N 0 1 244.285 2.486 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@@H](C2CC2)C1 ZINC000344015640 354078370 /nfs/dbraw/zinc/07/83/70/354078370.db2.gz LPHYMHOXRYTUER-LLVKDONJSA-N 0 1 249.310 2.298 20 0 BEADMN C[C@H]1CC[C@H](CNCc2csnn2)C1 ZINC000230406863 363307416 /nfs/dbraw/zinc/30/74/16/363307416.db2.gz PZTQPJDZTWVXCX-IUCAKERBSA-N 0 1 211.334 2.064 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](C3CC3)C2)o1 ZINC000344024938 354086092 /nfs/dbraw/zinc/08/60/92/354086092.db2.gz XCJMCNQWWYCHNG-KOLCDFICSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C3CC3)C2)o1 ZINC000344024940 354086622 /nfs/dbraw/zinc/08/66/22/354086622.db2.gz XCJMCNQWWYCHNG-ONGXEEELSA-N 0 1 235.331 2.425 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344059592 354128526 /nfs/dbraw/zinc/12/85/26/354128526.db2.gz LOYOHGRNMUULAL-JQWIXIFHSA-N 0 1 225.332 2.060 20 0 BEADMN CCC(CC)N(CC)Cc1nc(C)no1 ZINC000344027996 354090022 /nfs/dbraw/zinc/09/00/22/354090022.db2.gz LKTBPLXQJDAELM-UHFFFAOYSA-N 0 1 211.309 2.389 20 0 BEADMN Cc1ccc2c(c1)CN(CCn1ccnc1)C2 ZINC000334571893 354099824 /nfs/dbraw/zinc/09/98/24/354099824.db2.gz UUAILUCJCYIJOL-UHFFFAOYSA-N 0 1 227.311 2.207 20 0 BEADMN CCC(CC)N(CC)Cc1nc(COC)no1 ZINC000344040614 354106195 /nfs/dbraw/zinc/10/61/95/354106195.db2.gz VQRZGUAMSVGVON-UHFFFAOYSA-N 0 1 241.335 2.227 20 0 BEADMN Cc1nc([C@@H](C)Sc2ccncc2)n[nH]1 ZINC000334579295 354126372 /nfs/dbraw/zinc/12/63/72/354126372.db2.gz OXHQMSYHZOQWSQ-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCCOC2)sn1 ZINC000639173298 354177179 /nfs/dbraw/zinc/17/71/79/354177179.db2.gz SDMWNZOJBSUCAY-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN Cc1c[nH]nc1CNCC(C)(C)C(F)(F)F ZINC000309926952 491059574 /nfs/dbraw/zinc/05/95/74/491059574.db2.gz VUYBTVIYTJCCOM-UHFFFAOYSA-N 0 1 235.253 2.396 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000344105671 354159973 /nfs/dbraw/zinc/15/99/73/354159973.db2.gz NHHBAMSOBPQBFP-KBVBSXBZSA-N 0 1 239.290 2.272 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnc(C3CC3)o2)[C@@H](C)O1 ZINC000449709634 202007264 /nfs/dbraw/zinc/00/72/64/202007264.db2.gz ZTPOJJVRKGCMQK-KBVBSXBZSA-N 0 1 236.315 2.208 20 0 BEADMN Cc1cc(CN(C)CCc2ccccc2O)on1 ZINC000344195354 354180477 /nfs/dbraw/zinc/18/04/77/354180477.db2.gz IVYWERCOBDCWGP-UHFFFAOYSA-N 0 1 246.310 2.363 20 0 BEADMN CC[C@]1(C)CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000344220896 354181993 /nfs/dbraw/zinc/18/19/93/354181993.db2.gz CRZZSHVTVFVUMI-CQSZACIVSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000334585596 354209123 /nfs/dbraw/zinc/20/91/23/354209123.db2.gz SMILDAVDDHGABC-JQWIXIFHSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1nc([C@@H](C)Sc2ccccn2)n[nH]1 ZINC000334585681 354209426 /nfs/dbraw/zinc/20/94/26/354209426.db2.gz JBIHPKKYRRVIML-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN COCCC1CCN(Cc2cnc(C)o2)CC1 ZINC000529637617 324367643 /nfs/dbraw/zinc/36/76/43/324367643.db2.gz HBQIVOCDEXROEY-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN CCC(C)(C)OC1CN(C[C@@H]2CCCOC2)C1 ZINC000529640961 324369928 /nfs/dbraw/zinc/36/99/28/324369928.db2.gz MRTLZHGIFMAKFV-LBPRGKRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)[C@H](C)C(C)C)[C@@H](C)C1 ZINC000344421592 354252999 /nfs/dbraw/zinc/25/29/99/354252999.db2.gz KYFPCXFMNNRAJS-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2=CCCCC2)CCN1C ZINC000334594959 354227337 /nfs/dbraw/zinc/22/73/37/354227337.db2.gz VBUISBBHPMITNP-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN COCCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344538840 354286286 /nfs/dbraw/zinc/28/62/86/354286286.db2.gz YDKYJMRBWCEAQO-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN Cc1ccc(CN2CC(C)=C[C@@H](C)C2)nn1 ZINC000334610592 354293621 /nfs/dbraw/zinc/29/36/21/354293621.db2.gz YCRHFNKYYWRMHH-SNVBAGLBSA-N 0 1 217.316 2.183 20 0 BEADMN Cc1ccc(CN2CC(C)=C[C@H](C)C2)nn1 ZINC000334610591 354293886 /nfs/dbraw/zinc/29/38/86/354293886.db2.gz YCRHFNKYYWRMHH-JTQLQIEISA-N 0 1 217.316 2.183 20 0 BEADMN C[C@@H]1CC[S@@](=O)CCN1CC1(C)CCC1 ZINC000334619847 354308685 /nfs/dbraw/zinc/30/86/85/354308685.db2.gz OOHMDYMWTVCGCD-IAQYHMDHSA-N 0 1 229.389 2.020 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344482300 354269551 /nfs/dbraw/zinc/26/95/51/354269551.db2.gz QVTSESGINIOOTP-LLVKDONJSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1ccncc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000334605599 354312009 /nfs/dbraw/zinc/31/20/09/354312009.db2.gz JFXFRULADJTBQV-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN C[C@@H]1COCCN1C[C@@H]1CCC(F)(F)C1 ZINC000334620261 354356558 /nfs/dbraw/zinc/35/65/58/354356558.db2.gz PDWBAFQSGDKELS-NXEZZACHSA-N 0 1 219.275 2.143 20 0 BEADMN C[C@H]1c2ccccc2CN1CCn1cccn1 ZINC000334608372 354315857 /nfs/dbraw/zinc/31/58/57/354315857.db2.gz NRGAIOWJSZLGDH-LBPRGKRZSA-N 0 1 227.311 2.460 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@H]2C)n(C)n1 ZINC000334608969 354316328 /nfs/dbraw/zinc/31/63/28/354316328.db2.gz FAUHQPRHIMMITJ-GHMZBOCLSA-N 0 1 239.388 2.054 20 0 BEADMN COC[C@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000344597384 354322752 /nfs/dbraw/zinc/32/27/52/354322752.db2.gz ZJTIDJVZWTXZAE-ZDUSSCGKSA-N 0 1 249.289 2.026 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000334687121 354433797 /nfs/dbraw/zinc/43/37/97/354433797.db2.gz ISOBYGLDSJMNCH-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN FC[C@H]1CN(Cc2cccc(F)c2)CCCO1 ZINC000334645730 354435026 /nfs/dbraw/zinc/43/50/26/354435026.db2.gz JUVMGHLNJFGZPA-ZDUSSCGKSA-N 0 1 241.281 2.386 20 0 BEADMN CC1(CO)CN(Cc2coc3ccccc23)C1 ZINC000334647199 354437936 /nfs/dbraw/zinc/43/79/36/354437936.db2.gz OAEKAMHRZUHTJW-UHFFFAOYSA-N 0 1 231.295 2.247 20 0 BEADMN C[N@H+]1CC[C@@H]2CN(C(=O)C3=CCCCCC3)C[C@@H]21 ZINC000334676131 354419609 /nfs/dbraw/zinc/41/96/09/354419609.db2.gz SNUOHWGCASWRDO-KGLIPLIRSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1ncsc1CCN1CC[C@H](F)C1 ZINC000334702488 354495658 /nfs/dbraw/zinc/49/56/58/354495658.db2.gz RRYGOAUYKIYPSC-VIFPVBQESA-N 0 1 214.309 2.038 20 0 BEADMN Cc1cc(F)ccc1C[N@@H+](C)CCCC(=O)[O-] ZINC000086802299 491064431 /nfs/dbraw/zinc/06/44/31/491064431.db2.gz YDOZQFDSPLPHLE-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc(Cl)cn1 ZINC000334707124 354501094 /nfs/dbraw/zinc/50/10/94/354501094.db2.gz YJEKFPPIFWIMKS-VHSXEESVSA-N 0 1 227.739 2.267 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000334713383 354511238 /nfs/dbraw/zinc/51/12/38/354511238.db2.gz MDWUMULFNULOIG-RISCZKNCSA-N 0 1 247.342 2.063 20 0 BEADMN Cc1ccnc(CN2CCCCCC2)n1 ZINC000334719665 354519202 /nfs/dbraw/zinc/51/92/02/354519202.db2.gz NERLMKRHEBQMMU-UHFFFAOYSA-N 0 1 205.305 2.161 20 0 BEADMN C[C@@H]1C[C@H](C)N1CCn1cc(Cl)cn1 ZINC000334722507 354522543 /nfs/dbraw/zinc/52/25/43/354522543.db2.gz UBKICJJRAVJNAJ-DTORHVGOSA-N 0 1 213.712 2.019 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)C1CC(C)(C)C1 ZINC000334815030 354573067 /nfs/dbraw/zinc/57/30/67/354573067.db2.gz KSFZTCXZCFJTNP-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1noc(C[N@H+]2C[C@H](C)CCC[C@H]2C)n1 ZINC000334754963 354576184 /nfs/dbraw/zinc/57/61/84/354576184.db2.gz HYJSDUOCHGIPEB-NXEZZACHSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000334754963 354576186 /nfs/dbraw/zinc/57/61/86/354576186.db2.gz HYJSDUOCHGIPEB-NXEZZACHSA-N 0 1 223.320 2.389 20 0 BEADMN CN(Cc1ccc(F)cn1)[C@H]1CC1(C)C ZINC000334763902 354584769 /nfs/dbraw/zinc/58/47/69/354584769.db2.gz JZUNOQFPBJXYSX-NSHDSACASA-N 0 1 208.280 2.451 20 0 BEADMN Cc1cc(CN(C(C)C)[C@H]2CCOC2)sn1 ZINC000639195548 354595833 /nfs/dbraw/zinc/59/58/33/354595833.db2.gz JGWHPTOAPUZVGX-NSHDSACASA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)[nH]1 ZINC000334744227 354547614 /nfs/dbraw/zinc/54/76/14/354547614.db2.gz RCHNWOIMSWTQBN-DGCLKSJQSA-N 0 1 249.358 2.471 20 0 BEADMN CN(Cc1ccnn1C)C1CC(C)(C)C1 ZINC000334797488 354551720 /nfs/dbraw/zinc/55/17/20/354551720.db2.gz MLKRJICDFAUEIG-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000335080224 354642359 /nfs/dbraw/zinc/64/23/59/354642359.db2.gz VYUDWINEPWHONJ-MRVPVSSYSA-N 0 1 247.273 2.184 20 0 BEADMN CCCN(CC(N)=O)Cc1csc(C)c1C ZINC000639203236 354608173 /nfs/dbraw/zinc/60/81/73/354608173.db2.gz IETYICCLQYYPNC-UHFFFAOYSA-N 0 1 240.372 2.062 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc3[nH]cnc3cc2F)[C@@H]1C ZINC000335108290 354694101 /nfs/dbraw/zinc/69/41/01/354694101.db2.gz FSVGGGUASJBLEQ-HTQZYQBOSA-N 0 1 247.273 2.182 20 0 BEADMN CCC1CN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000335113288 354701145 /nfs/dbraw/zinc/70/11/45/354701145.db2.gz MFQKKYFIYMJMEM-UHFFFAOYSA-N 0 1 235.331 2.324 20 0 BEADMN CO[C@H](CNCc1cc(C2CC2)no1)C1CC1 ZINC000639209283 354727027 /nfs/dbraw/zinc/72/70/27/354727027.db2.gz SGGPYBXGHMCIID-CYBMUJFWSA-N 0 1 236.315 2.067 20 0 BEADMN Cc1cnc(CNC[C@@]2(O)CCCC2(C)C)o1 ZINC000639206541 354680651 /nfs/dbraw/zinc/68/06/51/354680651.db2.gz AQSFWRIYNRQZJI-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3scnc32)n[nH]1 ZINC000623896626 354792372 /nfs/dbraw/zinc/79/23/72/354792372.db2.gz XFXPMKVOYZYZPT-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN CCC(=O)CCCN(C)Cc1ccco1 ZINC000232841833 363386101 /nfs/dbraw/zinc/38/61/01/363386101.db2.gz XPKCRYXRZFOJMK-UHFFFAOYSA-N 0 1 209.289 2.471 20 0 BEADMN CCC[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000345961632 354821769 /nfs/dbraw/zinc/82/17/69/354821769.db2.gz ONDMIGWGKDNPJT-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000345961634 354821957 /nfs/dbraw/zinc/82/19/57/354821957.db2.gz ONDMIGWGKDNPJT-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](NCC1(COC)CCC1)C(F)F ZINC000639214603 354823980 /nfs/dbraw/zinc/82/39/80/354823980.db2.gz QGRPFDDCYYLWKB-SECBINFHSA-N 0 1 221.291 2.436 20 0 BEADMN FCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000345920250 354825937 /nfs/dbraw/zinc/82/59/37/354825937.db2.gz VUEDJZGOAVIPRR-UHFFFAOYSA-N 0 1 241.281 2.391 20 0 BEADMN CC[C@@H](NCCC[C@H]1CCO1)C(F)F ZINC000639214744 354826055 /nfs/dbraw/zinc/82/60/55/354826055.db2.gz SAJAIYAMMVJRHW-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN CC[C@@H](NCCC[C@@H]1CCO1)C(F)F ZINC000639214746 354826413 /nfs/dbraw/zinc/82/64/13/354826413.db2.gz SAJAIYAMMVJRHW-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN CN(C)c1ncc(CN2CCC23CCC3)s1 ZINC000335945007 134019056 /nfs/dbraw/zinc/01/90/56/134019056.db2.gz PRWJEMQEPBFGNY-UHFFFAOYSA-N 0 1 237.372 2.338 20 0 BEADMN CC[C@H](C)[C@@H](CN(C(C)C)C1COC1)OC ZINC000639215989 354836475 /nfs/dbraw/zinc/83/64/75/354836475.db2.gz NNMRTVFLEIEGBD-WCQYABFASA-N 0 1 229.364 2.157 20 0 BEADMN CCOC[C@H](NCc1nccs1)C(C)C ZINC000233780670 363408089 /nfs/dbraw/zinc/40/80/89/363408089.db2.gz JEWRTZGULAKJNU-JTQLQIEISA-N 0 1 228.361 2.294 20 0 BEADMN CC(C)c1nnc(CN[C@H](C)[C@H]2CC2(F)F)[nH]1 ZINC000639220842 354885025 /nfs/dbraw/zinc/88/50/25/354885025.db2.gz ZARPWLFPNWFNNM-HTQZYQBOSA-N 0 1 244.289 2.061 20 0 BEADMN CC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623199984 354906597 /nfs/dbraw/zinc/90/65/97/354906597.db2.gz ZXXDKAKWKOJPOA-JBLDHEPKSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@@H]1CCCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623198088 354910346 /nfs/dbraw/zinc/91/03/46/354910346.db2.gz CCVWITXRPCMTKD-FOGDFJRCSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H](c1nncn1C)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335959047 134023946 /nfs/dbraw/zinc/02/39/46/134023946.db2.gz GZDYFZBHAGNWHV-GHMZBOCLSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@H](c1nncn1C)N1C[C@H](C)CC(C)(C)C1 ZINC000335959047 134023947 /nfs/dbraw/zinc/02/39/47/134023947.db2.gz GZDYFZBHAGNWHV-GHMZBOCLSA-N 0 1 236.363 2.244 20 0 BEADMN Oc1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000335175647 354943640 /nfs/dbraw/zinc/94/36/40/354943640.db2.gz XISQCALCYYMMRI-JQWIXIFHSA-N 0 1 221.325 2.082 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623201474 354952584 /nfs/dbraw/zinc/95/25/84/354952584.db2.gz PKRFOOOEQUFHBD-BXKDBHETSA-N 0 1 247.342 2.087 20 0 BEADMN CC(C)n1cc(CN2CC(C)(C)C[C@H]2C)nn1 ZINC000335188744 355019355 /nfs/dbraw/zinc/01/93/55/355019355.db2.gz JKSHFHVYTSHFPN-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1ncc(C[N@@H+]2CC(C)(C)C[C@H]2C)cn1 ZINC000335189805 355021153 /nfs/dbraw/zinc/02/11/53/355021153.db2.gz LFTHRNLZUARUIF-SNVBAGLBSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1nnc([C@@H](C)N2CC(C)(C)C[C@@H]2C)[nH]1 ZINC000335191517 355024711 /nfs/dbraw/zinc/02/47/11/355024711.db2.gz QSSGSPPYNNFSHL-DTWKUNHWSA-N 0 1 222.336 2.295 20 0 BEADMN Cc1nnc([C@H](C)N2CC(C)(C)C[C@H]2C)[nH]1 ZINC000335191511 355024755 /nfs/dbraw/zinc/02/47/55/355024755.db2.gz QSSGSPPYNNFSHL-BDAKNGLRSA-N 0 1 222.336 2.295 20 0 BEADMN C[C@@H](N[C@H]1COCC1(C)C)c1ccncc1F ZINC000335220527 355060189 /nfs/dbraw/zinc/06/01/89/355060189.db2.gz FEYVHWPEUDRETD-SKDRFNHKSA-N 0 1 238.306 2.296 20 0 BEADMN Cc1nc([C@@H](C)N2CCC(C)=C(C)C2)n[nH]1 ZINC000335225097 355066514 /nfs/dbraw/zinc/06/65/14/355066514.db2.gz UVVXSQTXOXHTGM-SNVBAGLBSA-N 0 1 220.320 2.216 20 0 BEADMN CC[C@@H](F)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335237185 355098204 /nfs/dbraw/zinc/09/82/04/355098204.db2.gz FFMLQRPFYRLFLG-NEPJUHHUSA-N 0 1 215.312 2.237 20 0 BEADMN Cc1c[nH]cc1-c1nc(C2(N)CCCCC2)no1 ZINC000335249263 355167931 /nfs/dbraw/zinc/16/79/31/355167931.db2.gz KEOKLUWUQQMRMQ-UHFFFAOYSA-N 0 1 246.314 2.491 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCOC1CCC1 ZINC000346838461 355132753 /nfs/dbraw/zinc/13/27/53/355132753.db2.gz PDRBMQQYXKTKKX-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN c1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)no1 ZINC000639232891 355215015 /nfs/dbraw/zinc/21/50/15/355215015.db2.gz QQCPIVBDQSGRHP-STQMWFEESA-N 0 1 218.300 2.295 20 0 BEADMN COCCCCN(C)Cc1ccn(C(C)C)n1 ZINC000412971764 191344440 /nfs/dbraw/zinc/34/44/40/191344440.db2.gz QKGKNUNFHIICGM-UHFFFAOYSA-N 0 1 239.363 2.322 20 0 BEADMN CC[C@@H]1CCN1C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623219288 355241888 /nfs/dbraw/zinc/24/18/88/355241888.db2.gz USJHPSYBOLOLMU-WCQGTBRESA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@@H](CN1CCn2cccc2[C@@H]1C)OC ZINC000412980161 191350314 /nfs/dbraw/zinc/35/03/14/191350314.db2.gz WPAXNXXSMJOQLO-RYUDHWBXSA-N 0 1 222.332 2.290 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000262222367 191385349 /nfs/dbraw/zinc/38/53/49/191385349.db2.gz KPFVVKRNMXFUBQ-WZRBSPASSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@@H]1C[C@H](CN=c2[nH]c3ccccc3[nH]2)[C@@H](C)O1 ZINC000413532702 191392621 /nfs/dbraw/zinc/39/26/21/191392621.db2.gz NDQSIZDVFRERSU-GMTAPVOTSA-N 0 1 245.326 2.210 20 0 BEADMN C[C@@H](N[C@@H]1CCn2ccnc2C1)c1cscn1 ZINC000335281660 355272091 /nfs/dbraw/zinc/27/20/91/355272091.db2.gz JGQQGIZXNROIIP-NXEZZACHSA-N 0 1 248.355 2.005 20 0 BEADMN CC[C@H](C)[C@H](CNCc1ccn(CC)n1)OC ZINC000639261869 355314983 /nfs/dbraw/zinc/31/49/83/355314983.db2.gz ODEBUTXSEZJGAP-AAEUAGOBSA-N 0 1 239.363 2.054 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000005561002 355319855 /nfs/dbraw/zinc/31/98/55/355319855.db2.gz SIXWEUBYRPPGCW-GFCCVEGCSA-N 0 1 221.300 2.372 20 0 BEADMN CCC1CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639248521 355279068 /nfs/dbraw/zinc/27/90/68/355279068.db2.gz IECSLRNQXJHRCA-SNVBAGLBSA-N 0 1 219.332 2.496 20 0 BEADMN COCCCOC1CN(CC2(C(C)C)CC2)C1 ZINC000639250162 355282663 /nfs/dbraw/zinc/28/26/63/355282663.db2.gz JTMPZIJYONBAMP-UHFFFAOYSA-N 0 1 241.375 2.160 20 0 BEADMN C[C@@H]1CC[C@H](CNCc2nc3ccccc3o2)O1 ZINC000639250427 355283252 /nfs/dbraw/zinc/28/32/52/355283252.db2.gz SMKUSBSQQWSEKJ-GHMZBOCLSA-N 0 1 246.310 2.485 20 0 BEADMN Cc1ccsc1CN1CCc2n[nH]cc2C1 ZINC000623234228 355363054 /nfs/dbraw/zinc/36/30/54/355363054.db2.gz CCWVONRUJFOAGP-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN Cc1cc(CN2CC[C@@H](OC(C)C)C2)sn1 ZINC000639280385 355369497 /nfs/dbraw/zinc/36/94/97/355369497.db2.gz DLJMZSOJXUMZPL-LLVKDONJSA-N 0 1 240.372 2.451 20 0 BEADMN CC(C)N(Cc1cnc[nH]1)Cc1cccnc1 ZINC000349241909 355373751 /nfs/dbraw/zinc/37/37/51/355373751.db2.gz LAWFVBUYUYPOEL-UHFFFAOYSA-N 0 1 230.315 2.215 20 0 BEADMN CC1=C(C)CN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000335753775 355392988 /nfs/dbraw/zinc/39/29/88/355392988.db2.gz RBDRKMRADVVMAM-UHFFFAOYSA-N 0 1 245.326 2.469 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000335740264 355389928 /nfs/dbraw/zinc/38/99/28/355389928.db2.gz ZUMFRCZMTLLBNK-WPRPVWTQSA-N 0 1 247.264 2.491 20 0 BEADMN Cc1cnc(CNCC(C)(C)c2cccnc2)o1 ZINC000639270237 355337576 /nfs/dbraw/zinc/33/75/76/355337576.db2.gz OQFQTJTXVKRLJJ-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cn[nH]c1 ZINC000414313941 191488117 /nfs/dbraw/zinc/48/81/17/191488117.db2.gz PNYRXSYAYGMALS-JMJZKYOTSA-N 0 1 211.284 2.341 20 0 BEADMN CC[C@H](C)NCc1nnc(C2CC2)s1 ZINC000414324258 191490220 /nfs/dbraw/zinc/49/02/20/191490220.db2.gz KLKXLIHCZQSCIN-ZETCQYMHSA-N 0 1 211.334 2.304 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000583508468 355346144 /nfs/dbraw/zinc/34/61/44/355346144.db2.gz LGMJBJLMNZISCE-GRYCIOLGSA-N 0 1 249.358 2.093 20 0 BEADMN CC[C@@H]1C[N@H+](CCC[C@@H]2CCO2)C[C@H](CC)O1 ZINC000639275769 355352587 /nfs/dbraw/zinc/35/25/87/355352587.db2.gz WZUPVQZKLYGBNR-HZSPNIEDSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@](C)(C[N@H+]1CCOC[C@H]1C1CCC1)OC ZINC000639285570 355391292 /nfs/dbraw/zinc/39/12/92/355391292.db2.gz NLLAYPQIYFRCJB-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN c1c(CN[C@@H]2CC23CC3)onc1C1CC1 ZINC000639277363 355357070 /nfs/dbraw/zinc/35/70/70/355357070.db2.gz METHKOKGHKAOPJ-LLVKDONJSA-N 0 1 204.273 2.194 20 0 BEADMN Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335778032 355403840 /nfs/dbraw/zinc/40/38/40/355403840.db2.gz AJCGOAYBDIFZCQ-OLZOCXBDSA-N 0 1 246.354 2.208 20 0 BEADMN CN(Cc1cc(Cl)cs1)C1CC(O)C1 ZINC000335781115 355428080 /nfs/dbraw/zinc/42/80/80/355428080.db2.gz SGEZRNCUQTYSHX-UHFFFAOYSA-N 0 1 231.748 2.357 20 0 BEADMN CC(C)[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000335783778 355432360 /nfs/dbraw/zinc/43/23/60/355432360.db2.gz PLXJDAFAKUQJBC-STQMWFEESA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CCCCN(Cc2ncccn2)C1 ZINC000335774308 355398949 /nfs/dbraw/zinc/39/89/49/355398949.db2.gz KKONHPGNZPTERJ-LLVKDONJSA-N 0 1 205.305 2.099 20 0 BEADMN C[C@H]1N(Cc2ccc(CO)cc2)CCOC1(C)C ZINC000335797903 355454919 /nfs/dbraw/zinc/45/49/19/355454919.db2.gz SCHACSWXFVXMEH-GFCCVEGCSA-N 0 1 249.354 2.178 20 0 BEADMN c1ccc([C@H]2C[C@@H]2CN2CCOCC2)cc1 ZINC000335814865 355503773 /nfs/dbraw/zinc/50/37/73/355503773.db2.gz RTLUJBOZFHHLEW-ZIAGYGMSSA-N 0 1 217.312 2.122 20 0 BEADMN C[C@@H](c1cccnc1)N1CCOCC2(CC2)C1 ZINC000335810256 355485257 /nfs/dbraw/zinc/48/52/57/355485257.db2.gz MQJZKENDKLTEMN-LBPRGKRZSA-N 0 1 232.327 2.255 20 0 BEADMN C[C@H]1CC[C@@H](C[N@H+]2CCOCC23CCCC3)O1 ZINC000335822807 355542478 /nfs/dbraw/zinc/54/24/78/355542478.db2.gz NXWXGJSWADJCGM-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000335825919 355550303 /nfs/dbraw/zinc/55/03/03/355550303.db2.gz RLXBRFIZBPJTAP-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000335825916 355550426 /nfs/dbraw/zinc/55/04/26/355550426.db2.gz RLXBRFIZBPJTAP-PWSUYJOCSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000335825914 355550575 /nfs/dbraw/zinc/55/05/75/355550575.db2.gz RLXBRFIZBPJTAP-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN COC(=O)c1coc(CN2CC[C@@H]2C(C)C)c1 ZINC000349975623 355554410 /nfs/dbraw/zinc/55/44/10/355554410.db2.gz YJIFSELSIYUFQQ-GFCCVEGCSA-N 0 1 237.299 2.297 20 0 BEADMN CCN(Cc1cc(C)ns1)[C@@H]1CCCOC1 ZINC000639292869 355527651 /nfs/dbraw/zinc/52/76/51/355527651.db2.gz AJKPGGJYSWFLSN-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN COCc1ccccc1/C=C(/C)C[N@@H+](C)CCO ZINC000350151819 355616800 /nfs/dbraw/zinc/61/68/00/355616800.db2.gz YGXXTXCOONIEFU-RAXLEYEMSA-N 0 1 249.354 2.160 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000583561088 355610476 /nfs/dbraw/zinc/61/04/76/355610476.db2.gz XXFQIYXSQJUCRI-NSHDSACASA-N 0 1 247.273 2.230 20 0 BEADMN Cc1ccc(CN(C[C@H](C)O)C2CC2)c(F)c1 ZINC000639301845 355643016 /nfs/dbraw/zinc/64/30/16/355643016.db2.gz IBRPHTPCMCMLSD-NSHDSACASA-N 0 1 237.318 2.479 20 0 BEADMN Cc1cnc([C@@H](C)N2CCCSCC2)cn1 ZINC000335881861 355670840 /nfs/dbraw/zinc/67/08/40/355670840.db2.gz WDYWZBRUGLVFCW-LLVKDONJSA-N 0 1 237.372 2.285 20 0 BEADMN CC1(C)C[C@@H](NCc2nc3ccccc3o2)CO1 ZINC000639304321 355659096 /nfs/dbraw/zinc/65/90/96/355659096.db2.gz XOYWHXLIISKJHA-SNVBAGLBSA-N 0 1 246.310 2.485 20 0 BEADMN CC(C)n1cc(CN2CCC[C@H](C)[C@@H]2C)nn1 ZINC000335861403 355624200 /nfs/dbraw/zinc/62/42/00/355624200.db2.gz YANODSUMDOROCN-RYUDHWBXSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1ccc2nc(CNC(=O)C3=CCC3)[nH]c2c1 ZINC000335861316 355624220 /nfs/dbraw/zinc/62/42/20/355624220.db2.gz DVNQHSPOEFSBFA-UHFFFAOYSA-N 0 1 241.294 2.208 20 0 BEADMN O=C(C1=CCCCC1)N1CCN(CC2CC2)CC1 ZINC000335866527 355631186 /nfs/dbraw/zinc/63/11/86/355631186.db2.gz LVKADGWSJSEVAG-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CC(C)[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000335894945 355689456 /nfs/dbraw/zinc/68/94/56/355689456.db2.gz GIZYSXHLZXKHSV-NSHDSACASA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccccc1N ZINC000335893178 355686102 /nfs/dbraw/zinc/68/61/02/355686102.db2.gz QTPBSRIXJNZPKY-PHIMTYICSA-N 0 1 247.342 2.080 20 0 BEADMN Cn1ccnc1[C@H](C1CC1)N1CC[C@@H]2C[C@@H]2C1 ZINC000639324994 355721125 /nfs/dbraw/zinc/72/11/25/355721125.db2.gz NOTNBCHXAQBBOF-UPJWGTAASA-N 0 1 231.343 2.213 20 0 BEADMN COC[C@H](N[C@H]1CC[C@H]1SC)c1ccco1 ZINC000425340819 191812207 /nfs/dbraw/zinc/81/22/07/191812207.db2.gz FKNCSBQHLFCBAC-JBLDHEPKSA-N 0 1 241.356 2.451 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CC2(F)F)o1 ZINC000639337669 355776335 /nfs/dbraw/zinc/77/63/35/355776335.db2.gz DPJHXMZZLXQTDV-MRVPVSSYSA-N 0 1 216.231 2.118 20 0 BEADMN CC(C)CN1Cc2ccccc2N(C)C(=O)C1 ZINC000623248681 355784025 /nfs/dbraw/zinc/78/40/25/355784025.db2.gz XJEVVEXJYLENFH-UHFFFAOYSA-N 0 1 232.327 2.121 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@@H]3C2)n(CC2CCC2)n1 ZINC000639347921 355788122 /nfs/dbraw/zinc/78/81/22/355788122.db2.gz NDZHNBOTCTXYKB-BETUJISGSA-N 0 1 231.343 2.135 20 0 BEADMN CC(C)C1(CN2CC3(C2)CCCO3)CC1 ZINC000639348330 355788914 /nfs/dbraw/zinc/78/89/14/355788914.db2.gz VWRFYKXKLGURGZ-UHFFFAOYSA-N 0 1 209.333 2.287 20 0 BEADMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccccn1 ZINC000035126579 355840431 /nfs/dbraw/zinc/84/04/31/355840431.db2.gz ONPNBIIDFQEZNS-VIFPVBQESA-N 0 1 243.266 2.348 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)[C@@H](C)O1 ZINC000639378201 355911322 /nfs/dbraw/zinc/91/13/22/355911322.db2.gz RWCMYKSAYPPJRL-KBVBSXBZSA-N 0 1 236.315 2.208 20 0 BEADMN CC1(NC/C=C/c2ccc(F)c(F)c2)COC1 ZINC000639380649 355919161 /nfs/dbraw/zinc/91/91/61/355919161.db2.gz HTNDIGHPILEASP-NSCUHMNNSA-N 0 1 239.265 2.357 20 0 BEADMN C/C(=C/c1ccccc1)CNC1(C)COC1 ZINC000639382552 355930039 /nfs/dbraw/zinc/93/00/39/355930039.db2.gz RYVOIPXZNMVHMS-WQLSENKSSA-N 0 1 217.312 2.468 20 0 BEADMN CCCCN(C)[C@H](CC(C)C)C(=O)OC ZINC000352114272 134068571 /nfs/dbraw/zinc/06/85/71/134068571.db2.gz WALKMFXMENAWPK-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127389360 324764679 /nfs/dbraw/zinc/76/46/79/324764679.db2.gz WXMDLMIRAZMNCY-IUCAKERBSA-N 0 1 240.372 2.317 20 0 BEADMN CC1(C)CCCCN(C(=O)c2cnc[nH]2)C1 ZINC000336063981 134069526 /nfs/dbraw/zinc/06/95/26/134069526.db2.gz DEHOSCMFSBIJSM-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CC1(F)CCN(Cc2cncs2)CC1 ZINC000639388491 356007086 /nfs/dbraw/zinc/00/70/86/356007086.db2.gz DQCMSHZEHMBHDD-UHFFFAOYSA-N 0 1 214.309 2.467 20 0 BEADMN CC[C@]1(O)CCCN(Cc2ncc(C)s2)C1 ZINC000639384022 355957727 /nfs/dbraw/zinc/95/77/27/355957727.db2.gz ALRIRWNDMNQVNO-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](c1ccccc1)N1CCc2n[nH]nc2C1 ZINC000351640010 356040395 /nfs/dbraw/zinc/04/03/95/356040395.db2.gz CRDZOYCTKYIHEC-CQSZACIVSA-N 0 1 242.326 2.314 20 0 BEADMN CCn1cc(CN2CCC(C)(F)CC2)cn1 ZINC000639389499 356015929 /nfs/dbraw/zinc/01/59/29/356015929.db2.gz YVTCRQZAWILBRV-UHFFFAOYSA-N 0 1 225.311 2.227 20 0 BEADMN OCCN(Cc1ccon1)CC1CCCCC1 ZINC000351597926 356026221 /nfs/dbraw/zinc/02/62/21/356026221.db2.gz VDCHBRJSAOTXHI-UHFFFAOYSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1cnc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000639395892 356106660 /nfs/dbraw/zinc/10/66/60/356106660.db2.gz OVWUEGBIYQTLCG-JQWIXIFHSA-N 0 1 206.289 2.405 20 0 BEADMN C[C@H]1C[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352124392 134075131 /nfs/dbraw/zinc/07/51/31/134075131.db2.gz XZLGTZZWZLCBRV-YUMQZZPRSA-N 0 1 227.254 2.416 20 0 BEADMN C[C@@H](F)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000351735636 356074350 /nfs/dbraw/zinc/07/43/50/356074350.db2.gz MUAWYDVURAWTTC-ZJUUUORDSA-N 0 1 213.300 2.161 20 0 BEADMN CC1(C)CN(Cc2ccc3nccnc3c2)C1 ZINC000639393934 356077588 /nfs/dbraw/zinc/07/75/88/356077588.db2.gz YJSBTWMUSCAOAZ-UHFFFAOYSA-N 0 1 227.311 2.472 20 0 BEADMN COC1CN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000418079495 191963925 /nfs/dbraw/zinc/96/39/25/191963925.db2.gz ACOPHDNIBFZVHZ-GXTWGEPZSA-N 0 1 217.312 2.121 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CCCCF ZINC000351895004 356162602 /nfs/dbraw/zinc/16/26/02/356162602.db2.gz ZQABZEPQQAFSFX-JTQLQIEISA-N 0 1 219.300 2.008 20 0 BEADMN CSCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336093738 134079220 /nfs/dbraw/zinc/07/92/20/134079220.db2.gz BLDJIHPAKOCNQO-UHFFFAOYSA-N 0 1 239.275 2.004 20 0 BEADMN COc1ncccc1C[N@H+]1CCC12CCC2 ZINC000336093022 134079246 /nfs/dbraw/zinc/07/92/46/134079246.db2.gz VDYFCNRRQBJBCS-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN COc1ncccc1CN1CCC12CCC2 ZINC000336093022 134079247 /nfs/dbraw/zinc/07/92/47/134079247.db2.gz VDYFCNRRQBJBCS-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN Cc1ncccc1CNCc1cncs1 ZINC000134989015 491087815 /nfs/dbraw/zinc/08/78/15/491087815.db2.gz HJWCKYMOLKYBML-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000336088322 134077452 /nfs/dbraw/zinc/07/74/52/134077452.db2.gz HFNBUDBKILKYPY-CQSZACIVSA-N 0 1 217.312 2.297 20 0 BEADMN CC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000639433096 356211866 /nfs/dbraw/zinc/21/18/66/356211866.db2.gz DXDBQEPFJQMNGP-JTQLQIEISA-N 0 1 209.314 2.474 20 0 BEADMN CC(=O)CN1CCC[C@H]1c1cccs1 ZINC000639433096 356211870 /nfs/dbraw/zinc/21/18/70/356211870.db2.gz DXDBQEPFJQMNGP-JTQLQIEISA-N 0 1 209.314 2.474 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1nc(CC2CC2)no1 ZINC000639440939 356218760 /nfs/dbraw/zinc/21/87/60/356218760.db2.gz RVJQCNWNADEHIX-JTQLQIEISA-N 0 1 237.347 2.498 20 0 BEADMN C[C@@H]1OCC[C@H]1CN1CCn2cccc2[C@@H]1C ZINC000639441361 356219715 /nfs/dbraw/zinc/21/97/15/356219715.db2.gz TUEZSQYBSJSPKJ-AVGNSLFASA-N 0 1 234.343 2.290 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639442774 356219725 /nfs/dbraw/zinc/21/97/25/356219725.db2.gz QXLMPHMETOYVED-ZETCQYMHSA-N 0 1 243.257 2.219 20 0 BEADMN CC[C@H]1CCCCN1CC(=O)Nc1ccccn1 ZINC000639443784 356222511 /nfs/dbraw/zinc/22/25/11/356222511.db2.gz VGXWXRUSTFDOLP-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN Cc1nn(C)c2ncc(CN3CC(C)(C)C3)cc12 ZINC000639405038 356200144 /nfs/dbraw/zinc/20/01/44/356200144.db2.gz LKISOAIHXDSXAT-UHFFFAOYSA-N 0 1 244.342 2.119 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1cnccc1N(C)C ZINC000617640192 356249110 /nfs/dbraw/zinc/24/91/10/356249110.db2.gz VICYPQDSVJADLG-LLVKDONJSA-N 0 1 249.358 2.314 20 0 BEADMN CCCCN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639463090 356249132 /nfs/dbraw/zinc/24/91/32/356249132.db2.gz ILORMYIIWKPCQS-UHFFFAOYSA-N 0 1 231.246 2.219 20 0 BEADMN Cc1cc(Cl)cc(CN2CC[C@H](O)C2)c1 ZINC000336116961 134088508 /nfs/dbraw/zinc/08/85/08/134088508.db2.gz AWSFDSYIGZDUFV-LBPRGKRZSA-N 0 1 225.719 2.215 20 0 BEADMN CC[C@H](C)CCNC(=O)c1cnccc1N(C)C ZINC000617640193 356248738 /nfs/dbraw/zinc/24/87/38/356248738.db2.gz VICYPQDSVJADLG-NSHDSACASA-N 0 1 249.358 2.314 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000336122511 134091477 /nfs/dbraw/zinc/09/14/77/134091477.db2.gz XDDGUXBTGSLCKV-JSGCOSHPSA-N 0 1 249.354 2.349 20 0 BEADMN CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](CC)C(=O)[O-] ZINC000420278912 192198698 /nfs/dbraw/zinc/19/86/98/192198698.db2.gz WOBGQWNLWPJELM-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC(C2CCC2)CC1 ZINC000617773523 356337704 /nfs/dbraw/zinc/33/77/04/356337704.db2.gz QWXVIIZUCHIDTM-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN CC(C)(C)c1nc(CN2CCCCCC2)n[nH]1 ZINC000336136595 134096207 /nfs/dbraw/zinc/09/62/07/134096207.db2.gz BOSHZFHVYCGMTN-UHFFFAOYSA-N 0 1 236.363 2.478 20 0 BEADMN CCc1nc(C)c(CN2C[C@H](C)[C@@H]2C)o1 ZINC000336342057 356342684 /nfs/dbraw/zinc/34/26/84/356342684.db2.gz AHYNFFDNGSTRJS-WPRPVWTQSA-N 0 1 208.305 2.386 20 0 BEADMN c1nc(CN2CC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000336137130 134096312 /nfs/dbraw/zinc/09/63/12/134096312.db2.gz IDHZWHXJTKZDBO-QWRGUYRKSA-N 0 1 238.356 2.002 20 0 BEADMN CCCN(CC)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639511317 356346250 /nfs/dbraw/zinc/34/62/50/356346250.db2.gz BCHCSAYSVGDOMI-UHFFFAOYSA-N 0 1 231.246 2.219 20 0 BEADMN CC[C@@]1(C)CCN(CC(=O)Nc2ccccn2)C1 ZINC000639516373 356355083 /nfs/dbraw/zinc/35/50/83/356355083.db2.gz SCHCQJJSFSRBKL-AWEZNQCLSA-N 0 1 247.342 2.142 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCOC2)c(C)s1 ZINC000087783979 491092154 /nfs/dbraw/zinc/09/21/54/491092154.db2.gz JHKMDASFGSRAOJ-XVKPBYJWSA-N 0 1 226.345 2.199 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1ccc(F)cc1O ZINC000336157966 134106803 /nfs/dbraw/zinc/10/68/03/134106803.db2.gz PVHCRCCIBIJGSE-YUMQZZPRSA-N 0 1 223.247 2.154 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1c(O)cccc1F ZINC000336157899 134106816 /nfs/dbraw/zinc/10/68/16/134106816.db2.gz IEGYWYVFRSLMAA-OCAPTIKFSA-N 0 1 223.247 2.154 20 0 BEADMN C[C@H]1OCC[C@H]1CN1CCC[C@H]1C(F)F ZINC000639555989 356458367 /nfs/dbraw/zinc/45/83/67/356458367.db2.gz RPXLFEIWUCXQLB-UTLUCORTSA-N 0 1 219.275 2.141 20 0 BEADMN CCC(F)(F)CN1CCN(C)[C@H](C)[C@H]1C ZINC000639557982 356463009 /nfs/dbraw/zinc/46/30/09/356463009.db2.gz ARPYWDYMMFUNPZ-NXEZZACHSA-N 0 1 220.307 2.056 20 0 BEADMN C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000639551996 356439647 /nfs/dbraw/zinc/43/96/47/356439647.db2.gz VTXAPYGIGVWUQQ-AGIUHOORSA-N 0 1 234.343 2.499 20 0 BEADMN CC(=O)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000639577207 356498022 /nfs/dbraw/zinc/49/80/22/356498022.db2.gz GNJGIPOESACEKR-AWEZNQCLSA-N 0 1 217.312 2.373 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC000336169856 134114737 /nfs/dbraw/zinc/11/47/37/134114737.db2.gz DFFSDJRSTSLDOQ-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC(C)(C)C2)n1 ZINC000336169856 134114738 /nfs/dbraw/zinc/11/47/38/134114738.db2.gz DFFSDJRSTSLDOQ-MRVPVSSYSA-N 0 1 236.319 2.132 20 0 BEADMN CC(C)c1cc(NC[C@@H]2C[C@H]2C)nc(N(C)C)n1 ZINC000578105243 366251380 /nfs/dbraw/zinc/25/13/80/366251380.db2.gz QXOVXNQKNXOLCP-MNOVXSKESA-N 0 1 248.374 2.156 20 0 BEADMN C[C@H](CCc1ccco1)NCc1ccon1 ZINC000088052671 491094031 /nfs/dbraw/zinc/09/40/31/491094031.db2.gz MLTNQSILUPFDHY-SNVBAGLBSA-N 0 1 220.272 2.379 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)C[C@H](CC)O1 ZINC000420949669 192275379 /nfs/dbraw/zinc/27/53/79/192275379.db2.gz FQTRLXIJAWBBMJ-BETUJISGSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1CCC[C@@H]1NCc1nc(CC2CC2)no1 ZINC000639612356 356536913 /nfs/dbraw/zinc/53/69/13/356536913.db2.gz HGKAQXSSIIVXFB-KOLCDFICSA-N 0 1 235.331 2.300 20 0 BEADMN CC(=O)CN(C)[C@H](C)Cc1ccccc1C ZINC000639613568 356538000 /nfs/dbraw/zinc/53/80/00/356538000.db2.gz DQTHYSNILXZERF-GFCCVEGCSA-N 0 1 219.328 2.447 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421017510 192304827 /nfs/dbraw/zinc/30/48/27/192304827.db2.gz KAOHEHAYWHALRE-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cc(F)ccc1CN1CC[C@@]12CCOC2 ZINC000421017510 192304830 /nfs/dbraw/zinc/30/48/30/192304830.db2.gz KAOHEHAYWHALRE-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN CCc1nnc(NC(=O)[C@@]2(C)CCC[C@@H]2C)[nH]1 ZINC000336196748 134126071 /nfs/dbraw/zinc/12/60/71/134126071.db2.gz SYBOIDMINRTWPZ-UFBFGSQYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@]2(C)CCC[C@@H]2C)n1 ZINC000336196748 134126072 /nfs/dbraw/zinc/12/60/72/134126072.db2.gz SYBOIDMINRTWPZ-UFBFGSQYSA-N 0 1 236.319 2.132 20 0 BEADMN C[N@@H+](Cc1cnc[nH]1)C1CC(OC(C)(C)C)C1 ZINC000421014990 192301284 /nfs/dbraw/zinc/30/12/84/192301284.db2.gz SPBUPFWPINKZHB-UHFFFAOYSA-N 0 1 237.347 2.188 20 0 BEADMN C[N@@H+](Cc1c[nH]cn1)C1CC(OC(C)(C)C)C1 ZINC000421014990 192301291 /nfs/dbraw/zinc/30/12/91/192301291.db2.gz SPBUPFWPINKZHB-UHFFFAOYSA-N 0 1 237.347 2.188 20 0 BEADMN FC1(F)CC(CN2CCOC3(CCC3)C2)C1 ZINC000336196824 134126597 /nfs/dbraw/zinc/12/65/97/134126597.db2.gz BBZWWBANBXWEPD-UHFFFAOYSA-N 0 1 231.286 2.287 20 0 BEADMN Cc1csc(CN2CC[C@@H](CCCO)C2)n1 ZINC000449791507 202037588 /nfs/dbraw/zinc/03/75/88/202037588.db2.gz OZZYUOJHJXDIPQ-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN c1csc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421013680 192302830 /nfs/dbraw/zinc/30/28/30/192302830.db2.gz GKXZEKAOMPVDKD-NSHDSACASA-N 0 1 209.314 2.113 20 0 BEADMN c1csc(CN2CC[C@@]23CCOC3)c1 ZINC000421013680 192302832 /nfs/dbraw/zinc/30/28/32/192302832.db2.gz GKXZEKAOMPVDKD-NSHDSACASA-N 0 1 209.314 2.113 20 0 BEADMN Cc1cccc(OCCN2CC[C@@]23CCOC3)c1 ZINC000421017128 192305089 /nfs/dbraw/zinc/30/50/89/192305089.db2.gz JVIQAUMFBYZGKF-HNNXBMFYSA-N 0 1 247.338 2.239 20 0 BEADMN Cc1nc(CN2CC[C@@H](CCCO)C2)cs1 ZINC000449793288 202039268 /nfs/dbraw/zinc/03/92/68/202039268.db2.gz WGLUEJNSDNJSKE-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN Cc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000350587354 366303148 /nfs/dbraw/zinc/30/31/48/366303148.db2.gz AYNXEPWPIIDLKB-HRDYMLBCSA-N 0 1 209.293 2.312 20 0 BEADMN OCC[C@@H]1CCCN(Cc2cscn2)CC1 ZINC000421041445 192310520 /nfs/dbraw/zinc/31/05/20/192310520.db2.gz OOXHPSZHXMSSAT-LLVKDONJSA-N 0 1 240.372 2.128 20 0 BEADMN Cc1c(Cl)c(CN[C@H](C)C2CC2)nn1C ZINC000421337525 192318915 /nfs/dbraw/zinc/31/89/15/192318915.db2.gz ZHEKZXSXTWFSQQ-SSDOTTSWSA-N 0 1 227.739 2.270 20 0 BEADMN COCc1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 ZINC000350598749 366307842 /nfs/dbraw/zinc/30/78/42/366307842.db2.gz PPSZFDVEONBZBH-BBBLOLIVSA-N 0 1 239.319 2.150 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CC(C)(C)CO1 ZINC000639660738 356569864 /nfs/dbraw/zinc/56/98/64/356569864.db2.gz LTIBQCUAJTUIIJ-ZDUSSCGKSA-N 0 1 234.343 2.329 20 0 BEADMN CCC(F)(F)CNC1(CCO)CCCC1 ZINC000639661383 356570275 /nfs/dbraw/zinc/57/02/75/356570275.db2.gz UERPKKVMBXXERW-UHFFFAOYSA-N 0 1 221.291 2.317 20 0 BEADMN CCC(F)(F)CN[C@H](C1CC1)C(C)(C)CO ZINC000639656440 356571426 /nfs/dbraw/zinc/57/14/26/356571426.db2.gz HJOXPJFXERVWJG-SNVBAGLBSA-N 0 1 235.318 2.418 20 0 BEADMN CCN(CC(=O)Nc1ccccn1)CC(C)(C)C ZINC000639652546 356563961 /nfs/dbraw/zinc/56/39/61/356563961.db2.gz RFVUTSCRGQCWJH-UHFFFAOYSA-N 0 1 249.358 2.388 20 0 BEADMN C[C@@H]1C[C@@H](CN2CCC=C(F)C2)CCO1 ZINC000336210659 134134056 /nfs/dbraw/zinc/13/40/56/134134056.db2.gz HDOFFPHQOMYDPJ-MNOVXSKESA-N 0 1 213.296 2.361 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)NCc2cnc[nH]2)C[C@@H]1C ZINC000449908396 202051883 /nfs/dbraw/zinc/05/18/83/202051883.db2.gz UKZDRIIRTDGVJX-VWYCJHECSA-N 0 1 235.331 2.098 20 0 BEADMN C[C@H]1CCC(C)(C)N1CC(=O)Nc1ccccn1 ZINC000639667663 356574526 /nfs/dbraw/zinc/57/45/26/356574526.db2.gz ILROFWJQPBAMGB-NSHDSACASA-N 0 1 247.342 2.283 20 0 BEADMN Fc1cncc(CN2CC[C@@H]2C2CC2)c1 ZINC000336216413 134137491 /nfs/dbraw/zinc/13/74/91/134137491.db2.gz ZLTXCHHTURUKQI-GFCCVEGCSA-N 0 1 206.264 2.205 20 0 BEADMN CN(CCC(C)(C)C)CC(=O)Nc1ccccn1 ZINC000639694392 356603665 /nfs/dbraw/zinc/60/36/65/356603665.db2.gz UXLRWTINWTUUJE-UHFFFAOYSA-N 0 1 249.358 2.388 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)NCCN1CCC1 ZINC000450201020 202094088 /nfs/dbraw/zinc/09/40/88/202094088.db2.gz KTYVHTIZDASJKN-ZDUSSCGKSA-N 0 1 240.391 2.271 20 0 BEADMN CC(=O)c1nc(NCc2ccco2)sc1C ZINC000450207709 202097158 /nfs/dbraw/zinc/09/71/58/202097158.db2.gz GZURXESGDOVVKU-UHFFFAOYSA-N 0 1 236.296 2.281 20 0 BEADMN CC[N@@H+](C[C@@H]1CC(C)(C)CO1)[C@H]1CCCOC1 ZINC000639729420 356623493 /nfs/dbraw/zinc/62/34/93/356623493.db2.gz JIRKLVWENCUHBU-STQMWFEESA-N 0 1 241.375 2.302 20 0 BEADMN FC(F)(F)Cn1ccc(CN2CCCC2)n1 ZINC000450237539 202102691 /nfs/dbraw/zinc/10/26/91/202102691.db2.gz NOQKYYZEOVHCSA-UHFFFAOYSA-N 0 1 233.237 2.041 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cn(CC2CC2)nn1 ZINC000450237586 202103807 /nfs/dbraw/zinc/10/38/07/202103807.db2.gz OEQCFFSKUCFYKX-CQSZACIVSA-N 0 1 248.374 2.453 20 0 BEADMN CN(CC(=O)NC(C)(C)C)CC1=CCCCC1 ZINC000450249396 202109644 /nfs/dbraw/zinc/10/96/44/202109644.db2.gz YMMLGHITTAVOOT-UHFFFAOYSA-N 0 1 238.375 2.333 20 0 BEADMN CCN(Cc1cn(CC2CC2)nn1)CC(C)C ZINC000450255175 202111411 /nfs/dbraw/zinc/11/14/11/202111411.db2.gz YDJXAUQHIMLMOE-UHFFFAOYSA-N 0 1 236.363 2.166 20 0 BEADMN C[C@H]1CCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450335171 202132546 /nfs/dbraw/zinc/13/25/46/202132546.db2.gz WLQIOEUJLDIOMZ-VIFPVBQESA-N 0 1 247.264 2.287 20 0 BEADMN C[C@H](NC1CSC1)c1ccccc1[N+](=O)[O-] ZINC000390466523 356677716 /nfs/dbraw/zinc/67/77/16/356677716.db2.gz HYIAURFJYZXBCL-QMMMGPOBSA-N 0 1 238.312 2.361 20 0 BEADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@@H]1CCOC1 ZINC000389482386 356689004 /nfs/dbraw/zinc/68/90/04/356689004.db2.gz HUVHHBHLGYNNKL-BBBLOLIVSA-N 0 1 221.291 2.435 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)O[C@@H](CC)C1 ZINC000450384888 202148472 /nfs/dbraw/zinc/14/84/72/202148472.db2.gz BYVABGUWRPXHQI-YPMHNXCESA-N 0 1 227.348 2.245 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450393713 202149945 /nfs/dbraw/zinc/14/99/45/202149945.db2.gz PHOUMTIHYSLLHQ-TXEJJXNPSA-N 0 1 248.374 2.451 20 0 BEADMN CC1(C)C(=O)NCCN1CCC1=CCCCC1 ZINC000450401586 202155202 /nfs/dbraw/zinc/15/52/02/202155202.db2.gz AEBQWQXCNPNJKC-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cn1 ZINC000639777460 356721119 /nfs/dbraw/zinc/72/11/19/356721119.db2.gz WJNYKJFPJWCDIU-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN c1nc(CC[N@H+]2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000639779076 356725746 /nfs/dbraw/zinc/72/57/46/356725746.db2.gz XDSOPTZMXTYFIY-LBPRGKRZSA-N 0 1 248.355 2.246 20 0 BEADMN FC(F)(F)CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000639778981 356726538 /nfs/dbraw/zinc/72/65/38/356726538.db2.gz WMFMVNYKDGHPSF-SECBINFHSA-N 0 1 233.237 2.499 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(CC3CC3)nn2)[C@@H]1C ZINC000450433073 202165787 /nfs/dbraw/zinc/16/57/87/202165787.db2.gz JAIBIACEAWQUAV-VXGBXAGGSA-N 0 1 248.374 2.309 20 0 BEADMN CCCC[C@@H](CC)CN1CCN(CC)C(=O)C1 ZINC000355005449 356747275 /nfs/dbraw/zinc/74/72/75/356747275.db2.gz HNXCDPZTXCYIGZ-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000356158963 356790372 /nfs/dbraw/zinc/79/03/72/356790372.db2.gz WTRGXOVZIQTCJK-PWSUYJOCSA-N 0 1 235.331 2.242 20 0 BEADMN CCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356984449 356810967 /nfs/dbraw/zinc/81/09/67/356810967.db2.gz RWWZFVNNMZTRLS-UHFFFAOYSA-N 0 1 214.228 2.175 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C ZINC000357003664 356811990 /nfs/dbraw/zinc/81/19/90/356811990.db2.gz ZRASOMMDHGMBJI-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358715022 356876443 /nfs/dbraw/zinc/87/64/43/356876443.db2.gz VADWKMXVVXHGSV-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCN(Cc1cn(C)nn1)CC1CCCCC1 ZINC000359289763 356887175 /nfs/dbraw/zinc/88/71/75/356887175.db2.gz AUDVWNJAFRYXRB-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN CC[C@H](C(=O)N1CCc2c1cccc2C)N(C)C ZINC000155674973 538725622 /nfs/dbraw/zinc/72/56/22/538725622.db2.gz HBIIYSMMOBHOKL-CYBMUJFWSA-N 0 1 246.354 2.224 20 0 BEADMN COc1ccnc(CN[C@H](C)C(C)(C)C)n1 ZINC000450552899 202197422 /nfs/dbraw/zinc/19/74/22/202197422.db2.gz AINPEGFFIRPUSF-SECBINFHSA-N 0 1 223.320 2.009 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@@H]2CCC[C@H]21 ZINC000361247683 356921415 /nfs/dbraw/zinc/92/14/15/356921415.db2.gz YQNRAZYPRDHYFY-BFHYXJOUSA-N 0 1 241.375 2.037 20 0 BEADMN CCC(C)(C)[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000450568201 202200788 /nfs/dbraw/zinc/20/07/88/202200788.db2.gz VEHFMXGODNMQGG-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCC(C)(C)N(C)Cc1cn(CC2CC2)nn1 ZINC000450568201 202200791 /nfs/dbraw/zinc/20/07/91/202200791.db2.gz VEHFMXGODNMQGG-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361663698 356935897 /nfs/dbraw/zinc/93/58/97/356935897.db2.gz VTMCETNPHLBARF-OAHLLOKOSA-N 0 1 249.354 2.422 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1C2CCC1CC2 ZINC000399538224 356972827 /nfs/dbraw/zinc/97/28/27/356972827.db2.gz POMLBRRTWQHHAR-WHXUTIOJSA-N 0 1 225.332 2.343 20 0 BEADMN CC[C@@H]1CCCN(Cc2nc(C)no2)CC1 ZINC000117344691 356978955 /nfs/dbraw/zinc/97/89/55/356978955.db2.gz FCGBTUNBTNGESJ-LLVKDONJSA-N 0 1 223.320 2.390 20 0 BEADMN C[N@H+](CC1=CCSC1)C[C@@H]1CC(C)(C)CO1 ZINC000639866490 356981886 /nfs/dbraw/zinc/98/18/86/356981886.db2.gz SRNNGFQCSTYIQY-LBPRGKRZSA-N 0 1 241.400 2.407 20 0 BEADMN CCSCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000129855616 356993628 /nfs/dbraw/zinc/99/36/28/356993628.db2.gz JMLZDESAMVKZLF-LLVKDONJSA-N 0 1 245.388 2.316 20 0 BEADMN CC[C@H](CN1CCC[C@H]1c1ncccn1)OC ZINC000639871653 357027942 /nfs/dbraw/zinc/02/79/42/357027942.db2.gz PQMZLMNCXHNRHU-NEPJUHHUSA-N 0 1 235.331 2.039 20 0 BEADMN CN(Cc1nccn1C)C[C@H]1CCC(F)(F)C1 ZINC000450619691 202212250 /nfs/dbraw/zinc/21/22/50/202212250.db2.gz BMCQYORAGBUOPK-JTQLQIEISA-N 0 1 243.301 2.287 20 0 BEADMN Cc1ccc2nc(CCCCO)[nH]c2c1 ZINC000026462174 357135939 /nfs/dbraw/zinc/13/59/39/357135939.db2.gz VFGVQJDJCTWFOW-UHFFFAOYSA-N 0 1 204.273 2.186 20 0 BEADMN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1ncn(C)n1 ZINC000391917723 357136532 /nfs/dbraw/zinc/13/65/32/357136532.db2.gz DKNMINYAYCUWCL-DCAQKATOSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCC(C)(C)F ZINC000631660391 357196111 /nfs/dbraw/zinc/19/61/11/357196111.db2.gz VRGMGQPLISSKDW-MRVPVSSYSA-N 0 1 213.300 2.127 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCSC1)C2 ZINC000628419237 357240116 /nfs/dbraw/zinc/24/01/16/357240116.db2.gz RKEWGGOSNXRLRD-JTQLQIEISA-N 0 1 235.352 2.461 20 0 BEADMN CC(C)(C)c1ncc(CN2C[C@@H]3C[C@@H]3C2)cn1 ZINC000628410506 357215192 /nfs/dbraw/zinc/21/51/92/357215192.db2.gz MVSZPVFBYVEEEQ-TXEJJXNPSA-N 0 1 231.343 2.226 20 0 BEADMN Cc1ccc2nc(CN3C[C@@H]4C[C@@H]4C3)cn2c1 ZINC000628410367 357216604 /nfs/dbraw/zinc/21/66/04/357216604.db2.gz KGXSUHZZEDSQLE-TXEJJXNPSA-N 0 1 227.311 2.094 20 0 BEADMN CC1(C)CC[C@@H](NCc2csnn2)C1 ZINC000122479769 357178255 /nfs/dbraw/zinc/17/82/55/357178255.db2.gz NBWYNNNYSDPSQE-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN CC[C@H](NCC(C)(C)F)c1cnn(C)c1 ZINC000631659507 357188285 /nfs/dbraw/zinc/18/82/85/357188285.db2.gz RGIFHOQPDFJYOO-JTQLQIEISA-N 0 1 213.300 2.209 20 0 BEADMN CCc1cc(CN[C@@H](C)COC(C)C)on1 ZINC000393743133 357295235 /nfs/dbraw/zinc/29/52/35/357295235.db2.gz JGWJHXCBTYAEOL-JTQLQIEISA-N 0 1 226.320 2.140 20 0 BEADMN Cc1cc(CNC[C@@H](O)C2CCCCC2)on1 ZINC000582481867 357316609 /nfs/dbraw/zinc/31/66/09/357316609.db2.gz KEPINCHYOHDKOJ-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN COCC[C@H]1CCC[C@@H]1NCC(C)(F)F ZINC000393947124 357321393 /nfs/dbraw/zinc/32/13/93/357321393.db2.gz NOKYFOIKWSBMJB-ZJUUUORDSA-N 0 1 221.291 2.436 20 0 BEADMN Cc1cccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000582732252 357375292 /nfs/dbraw/zinc/37/52/92/357375292.db2.gz UITLGKNWHRRNAC-JTQLQIEISA-N 0 1 248.326 2.075 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000216554152 357328912 /nfs/dbraw/zinc/32/89/12/357328912.db2.gz ZGYVXINQSIVUHV-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CCN(C(=O)[C@@H](C)N1CC(C)C1)C1CCCC1 ZINC000582734536 357376807 /nfs/dbraw/zinc/37/68/07/357376807.db2.gz MANBTWCOHYKOFE-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN Cn1c(CN[C@@H]2CCC2(C)C)nnc1C1CCC1 ZINC000582674992 357360981 /nfs/dbraw/zinc/36/09/81/357360981.db2.gz SYKWGIUHPRCCMO-LLVKDONJSA-N 0 1 248.374 2.361 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000582676079 357361550 /nfs/dbraw/zinc/36/15/50/357361550.db2.gz VZLHSGMQGOSSQL-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ncc(CN2CCC(C)CC2)cn1 ZINC000221065353 357396862 /nfs/dbraw/zinc/39/68/62/357396862.db2.gz IOGUBUXOGHVNRO-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cncnc2C)s1 ZINC000582857240 357421325 /nfs/dbraw/zinc/42/13/25/357421325.db2.gz XZFPRTZIHKMGFM-MRVPVSSYSA-N 0 1 248.355 2.401 20 0 BEADMN CCCC[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000011799258 357454011 /nfs/dbraw/zinc/45/40/11/357454011.db2.gz AEVYYROIGYLQJJ-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CCC[C@H]1CN(CCCSC)CCO1 ZINC000131743828 325180962 /nfs/dbraw/zinc/18/09/62/325180962.db2.gz MXCZFHVOCUZZNE-NSHDSACASA-N 0 1 217.378 2.240 20 0 BEADMN CCn1ccnc1CNC(C)(C)COC(C)C ZINC000396344330 357477461 /nfs/dbraw/zinc/47/74/61/357477461.db2.gz CWKBNDKXZKSCSI-UHFFFAOYSA-N 0 1 239.363 2.196 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccccc1 ZINC000397009652 357488639 /nfs/dbraw/zinc/48/86/39/357488639.db2.gz IRKFHENANQELDH-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)[C@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000583136110 357488654 /nfs/dbraw/zinc/48/86/54/357488654.db2.gz HDVWMIGMWXWWJB-JTQLQIEISA-N 0 1 208.305 2.264 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000583136110 357488658 /nfs/dbraw/zinc/48/86/58/357488658.db2.gz HDVWMIGMWXWWJB-JTQLQIEISA-N 0 1 208.305 2.264 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)o1 ZINC000230375400 357530592 /nfs/dbraw/zinc/53/05/92/357530592.db2.gz AIDFATFXEGJHNU-ZDUSSCGKSA-N 0 1 223.316 2.325 20 0 BEADMN C[C@@H]1CCC[C@H]1CNc1ncnc2[nH]cnc21 ZINC000230691184 357551090 /nfs/dbraw/zinc/55/10/90/357551090.db2.gz PECJCUQAPBXBOD-BDAKNGLRSA-N 0 1 231.303 2.201 20 0 BEADMN CCCNC(=O)CN[C@@H](CCC)c1ccccn1 ZINC000158491219 538862562 /nfs/dbraw/zinc/86/25/62/538862562.db2.gz QKJIRUCHOVPAET-LBPRGKRZSA-N 0 1 249.358 2.039 20 0 BEADMN OCc1cccc(CNCc2cncc(F)c2)c1 ZINC000230940343 357582481 /nfs/dbraw/zinc/58/24/81/357582481.db2.gz DQVVLHISRJDXEW-UHFFFAOYSA-N 0 1 246.285 2.003 20 0 BEADMN CC[C@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000188805897 357588342 /nfs/dbraw/zinc/58/83/42/357588342.db2.gz PNGYAWRYRHCLSO-VIFPVBQESA-N 0 1 244.298 2.000 20 0 BEADMN C[NH+](C)C1(CNCc2ccc(F)cc2F)CC1 ZINC000397792539 357697679 /nfs/dbraw/zinc/69/76/79/357697679.db2.gz AGTNZOLJNDZTBF-UHFFFAOYSA-N 0 1 240.297 2.149 20 0 BEADMN CCC(C)(C)CC[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000583275006 357798482 /nfs/dbraw/zinc/79/84/82/357798482.db2.gz XONIKMMEGNIWIO-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CC[C@@H](C)CN1Cc2ccccc2NC(=O)C1 ZINC000583271328 357788985 /nfs/dbraw/zinc/78/89/85/357788985.db2.gz BGHRJWKYANLYDM-LLVKDONJSA-N 0 1 232.327 2.487 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1cscn1 ZINC000398171794 357857781 /nfs/dbraw/zinc/85/77/81/357857781.db2.gz PCCYCHHDLILQGX-KXUCPTDWSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1ccncc1Cl ZINC000235450152 357869822 /nfs/dbraw/zinc/86/98/22/357869822.db2.gz FSVXQUDRXAADTJ-JOYOIKCWSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1csnn1 ZINC000398252644 357871340 /nfs/dbraw/zinc/87/13/40/357871340.db2.gz XKRGFIROXKZBBC-AXTSPUMRSA-N 0 1 223.345 2.377 20 0 BEADMN CC(C)(O)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639928680 357883769 /nfs/dbraw/zinc/88/37/69/357883769.db2.gz YUAZIHSWAVQYPQ-LLVKDONJSA-N 0 1 223.316 2.433 20 0 BEADMN CC/C=C\CC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000584416033 357915486 /nfs/dbraw/zinc/91/54/86/357915486.db2.gz IWHJEMYCVCYFBU-SVJDAXRGSA-N 0 1 225.332 2.385 20 0 BEADMN CN(C)C(=O)CCC[N@@H+](C)Cc1cccs1 ZINC000584418956 357916432 /nfs/dbraw/zinc/91/64/32/357916432.db2.gz QHMOTLUFLWXKGC-UHFFFAOYSA-N 0 1 240.372 2.048 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639935255 357934337 /nfs/dbraw/zinc/93/43/37/357934337.db2.gz IENKHQOGNIXBLN-RNFRBKRXSA-N 0 1 243.257 2.360 20 0 BEADMN Fc1ccc(C=CCNCc2cc[nH]n2)cc1F ZINC000584450341 357962903 /nfs/dbraw/zinc/96/29/03/357962903.db2.gz ZVPKJVUBWZKUEZ-OWOJBTEDSA-N 0 1 249.264 2.491 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1cccc(F)c1 ZINC000035752191 357998784 /nfs/dbraw/zinc/99/87/84/357998784.db2.gz FGLDTOQLNGZAOX-SECBINFHSA-N 0 1 225.263 2.121 20 0 BEADMN FC(F)(F)CN1CCN(C2CCCC2)CC1 ZINC000075633813 325304780 /nfs/dbraw/zinc/30/47/80/325304780.db2.gz UPKMRJYGZHDDQH-UHFFFAOYSA-N 0 1 236.281 2.109 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)C2=CCCC2)n[nH]1 ZINC000342994627 535379911 /nfs/dbraw/zinc/37/99/11/535379911.db2.gz ABIDZQIPQJLSEC-SECBINFHSA-N 0 1 248.330 2.216 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccnc(N)c2)s1 ZINC000639995054 358034045 /nfs/dbraw/zinc/03/40/45/358034045.db2.gz IBCOQFBXCPTYSX-QMMMGPOBSA-N 0 1 248.355 2.110 20 0 BEADMN CC(=O)CN1CCC2(CCSCC2)CC1 ZINC000639982458 358025806 /nfs/dbraw/zinc/02/58/06/358025806.db2.gz AYAVYLSCALTZEJ-UHFFFAOYSA-N 0 1 227.373 2.185 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000584517163 358029103 /nfs/dbraw/zinc/02/91/03/358029103.db2.gz LTMAQFDFAAIHPA-XOULXFPDSA-N 0 1 237.274 2.244 20 0 BEADMN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nnc(C)[nH]2)C1(C)C ZINC000103255103 358033050 /nfs/dbraw/zinc/03/30/50/358033050.db2.gz DRICUEPFYYWESG-UWVGGRQHSA-N 0 1 248.330 2.290 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000036787686 358052867 /nfs/dbraw/zinc/05/28/67/358052867.db2.gz RRZOXUAFMDFUIT-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cccc([C@@H]2CCCN2C(=O)CN(C)C)c1 ZINC000171390460 134256502 /nfs/dbraw/zinc/25/65/02/134256502.db2.gz UFOCVNWTUZGBCH-AWEZNQCLSA-N 0 1 246.354 2.220 20 0 BEADMN CC[C@@]1(O)CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000640035178 358123599 /nfs/dbraw/zinc/12/35/99/358123599.db2.gz GWTWTWNOOPLLBE-DGCLKSJQSA-N 0 1 238.331 2.281 20 0 BEADMN CN(Cc1nccn1C)C[C@@H]1CCC(F)(F)C1 ZINC000450619693 202213717 /nfs/dbraw/zinc/21/37/17/202213717.db2.gz BMCQYORAGBUOPK-SNVBAGLBSA-N 0 1 243.301 2.287 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@@H](CC)C1 ZINC000222160987 358150366 /nfs/dbraw/zinc/15/03/66/358150366.db2.gz BRRZMBLZICIHDR-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN CCCC[C@H](CC)Cn1cc(CNC)nn1 ZINC000085272710 491123158 /nfs/dbraw/zinc/12/31/58/491123158.db2.gz QMTWMDUQEOVWLD-NSHDSACASA-N 0 1 224.352 2.214 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(CC1CC1)C2 ZINC000610786279 358164675 /nfs/dbraw/zinc/16/46/75/358164675.db2.gz PFQVBLMHVUGOSR-UHFFFAOYSA-N 0 1 231.295 2.199 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@H]1CC(=O)[O-])C(F)(F)F ZINC000584724577 358166588 /nfs/dbraw/zinc/16/65/88/358166588.db2.gz FUJPSAUUPJGFQG-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1cnc(NCc2n[nH]c(C(C)C)n2)s1 ZINC000450621899 202214169 /nfs/dbraw/zinc/21/41/69/202214169.db2.gz GUKRKWHGPIDJLM-UHFFFAOYSA-N 0 1 237.332 2.305 20 0 BEADMN CCC[C@@H](O)CN1CCc2cccc(F)c2C1 ZINC000450657845 202229305 /nfs/dbraw/zinc/22/93/05/202229305.db2.gz YXGLUQHMRGYHKT-GFCCVEGCSA-N 0 1 237.318 2.345 20 0 BEADMN CCC[C@H](O)CN1CCc2cccc(F)c2C1 ZINC000450657846 202229487 /nfs/dbraw/zinc/22/94/87/202229487.db2.gz YXGLUQHMRGYHKT-LBPRGKRZSA-N 0 1 237.318 2.345 20 0 BEADMN CN(CC1=CCCCC1)C[C@@H](O)C(F)(F)F ZINC000450642788 202222353 /nfs/dbraw/zinc/22/23/53/202222353.db2.gz AARYFKCXVBLYQC-SNVBAGLBSA-N 0 1 237.265 2.342 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nccc(OC)n1 ZINC000450677902 202233247 /nfs/dbraw/zinc/23/32/47/202233247.db2.gz GMPKCATXWWZYGM-UWVGGRQHSA-N 0 1 223.320 2.009 20 0 BEADMN CCC[C@@H](O)C[N@@H+](C)CCc1ccccc1O ZINC000450712723 202242399 /nfs/dbraw/zinc/24/23/99/202242399.db2.gz FEURGFUOAAMOIV-CYBMUJFWSA-N 0 1 237.343 2.028 20 0 BEADMN COC[C@@H](NCCC[C@@H](C)O)c1ccc(C)o1 ZINC000450725890 202245765 /nfs/dbraw/zinc/24/57/65/202245765.db2.gz JKSQWGFWKXLKEE-ZYHUDNBSSA-N 0 1 241.331 2.026 20 0 BEADMN CC(C)C[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450755633 202255010 /nfs/dbraw/zinc/25/50/10/202255010.db2.gz KMWONKBBIHYOII-WCQYABFASA-N 0 1 239.359 2.101 20 0 BEADMN CC(C)C[C@@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000450755634 202256776 /nfs/dbraw/zinc/25/67/76/202256776.db2.gz KMWONKBBIHYOII-YPMHNXCESA-N 0 1 239.359 2.101 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1csnn1 ZINC000133405967 491127590 /nfs/dbraw/zinc/12/75/90/491127590.db2.gz GUEIJTWKZUHIDD-PSASIEDQSA-N 0 1 211.334 2.206 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2CCC[C@H]2O)s1 ZINC000134852327 325379296 /nfs/dbraw/zinc/37/92/96/325379296.db2.gz WYAHKMVQFMSCCK-NXEZZACHSA-N 0 1 240.372 2.270 20 0 BEADMN C[N@H+](Cc1ccoc1)Cc1occc1C(=O)[O-] ZINC000042308279 358346622 /nfs/dbraw/zinc/34/66/22/358346622.db2.gz MMHXFFVKUBPUEY-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@@H+](Cc1ccoc1)Cc1occc1C(=O)[O-] ZINC000042308279 358346623 /nfs/dbraw/zinc/34/66/23/358346623.db2.gz MMHXFFVKUBPUEY-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN Cc1occc1C[N@@H+](C)CCCCC(=O)[O-] ZINC000042449612 358349121 /nfs/dbraw/zinc/34/91/21/358349121.db2.gz FNBQAZRFNMAWHB-UHFFFAOYSA-N 0 1 225.288 2.275 20 0 BEADMN CC(C)N(CC(=O)c1cccn1C)CC1CC1 ZINC000042588134 358352695 /nfs/dbraw/zinc/35/26/95/358352695.db2.gz NVUGESMXMQNCAU-UHFFFAOYSA-N 0 1 234.343 2.328 20 0 BEADMN CCCC[C@@H](CC)C[N@@H+](C)CC(=O)[O-] ZINC000043455864 358376724 /nfs/dbraw/zinc/37/67/24/358376724.db2.gz JEJTYRAWXZFWPW-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN C[C@H]([N@@H+](C)CCCC(=O)[O-])C(C)(C)C ZINC000042771062 358358864 /nfs/dbraw/zinc/35/88/64/358358864.db2.gz SOJOHFNYPPCPED-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)(C)CNC(=O)[C@@H]1NCCc2ccccc21 ZINC000044427025 358408771 /nfs/dbraw/zinc/40/87/71/358408771.db2.gz MUNSZLPTFKMGSF-CYBMUJFWSA-N 0 1 246.354 2.036 20 0 BEADMN COc1ccc(CN(C)CC(C)(C)O)c(F)c1 ZINC000228634841 358382992 /nfs/dbraw/zinc/38/29/92/358382992.db2.gz IKDGXQBVQJLKAF-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1[nH]nc(NC(=O)c2c(O)cccc2F)c1C ZINC000228851258 358386279 /nfs/dbraw/zinc/38/62/79/358386279.db2.gz LMIUOLULHRKGEG-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN CCc1cc(C(=O)N(CC)CC(C)C)n[nH]1 ZINC000031375733 358447496 /nfs/dbraw/zinc/44/74/96/358447496.db2.gz HBQACPSUSNEFEY-UHFFFAOYSA-N 0 1 223.320 2.090 20 0 BEADMN C=C(CC)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299898984 358420100 /nfs/dbraw/zinc/42/01/00/358420100.db2.gz WLIYMZRVEAMZCN-TUAOUCFPSA-N 0 1 223.316 2.138 20 0 BEADMN C[C@@H](NCc1nc(C2CC2)no1)C(C)(C)C ZINC000074318434 358427449 /nfs/dbraw/zinc/42/74/49/358427449.db2.gz PIFQHXDCJBUUMC-MRVPVSSYSA-N 0 1 223.320 2.471 20 0 BEADMN CC1(CN[C@H](CF)c2ccc(F)cc2)COC1 ZINC000640152945 358430844 /nfs/dbraw/zinc/43/08/44/358430844.db2.gz IWXIDNQZAZOICU-GFCCVEGCSA-N 0 1 241.281 2.462 20 0 BEADMN C[C@H](CO)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640155009 358438440 /nfs/dbraw/zinc/43/84/40/358438440.db2.gz OUKKHOICRHKPPT-CABZTGNLSA-N 0 1 229.270 2.054 20 0 BEADMN C[C@@H](N[C@H](C)c1cccnc1)c1cnn(C)c1 ZINC000044495105 358549905 /nfs/dbraw/zinc/54/99/05/358549905.db2.gz XMAZPLGYXRCXBM-GHMZBOCLSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000086257434 358550013 /nfs/dbraw/zinc/55/00/13/358550013.db2.gz FRQQRKVTAFGXTG-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN COC(C)(C)C[C@H](C)NCc1cc(C)on1 ZINC000044692628 358552293 /nfs/dbraw/zinc/55/22/93/358552293.db2.gz VGCAMPFKDCMVDT-VIFPVBQESA-N 0 1 226.320 2.276 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000086270191 358560420 /nfs/dbraw/zinc/56/04/20/358560420.db2.gz SCAITQKBBQKADA-HBNTYKKESA-N 0 1 213.321 2.216 20 0 BEADMN CCN(CC(=O)NC1CCCCCC1)C1CC1 ZINC000045770750 358565326 /nfs/dbraw/zinc/56/53/26/358565326.db2.gz UQFCHVIPZMDKGH-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000300229531 358570340 /nfs/dbraw/zinc/57/03/40/358570340.db2.gz XUIRMLGOMIUADZ-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN Cc1ccc2c(C)cc(NCC(=O)[O-])[nH+]c2c1 ZINC000212727965 358621409 /nfs/dbraw/zinc/62/14/09/358621409.db2.gz RRVOQJPABIMZRD-UHFFFAOYSA-N 0 1 230.267 2.348 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)n[nH]1 ZINC000048622517 358645396 /nfs/dbraw/zinc/64/53/96/358645396.db2.gz PIXMETDEQVOVRI-SECBINFHSA-N 0 1 223.320 2.225 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1nc2ccccc2n1C ZINC000131303590 358670309 /nfs/dbraw/zinc/67/03/09/358670309.db2.gz PUNHNLLSOXANRN-MNOVXSKESA-N 0 1 245.326 2.013 20 0 BEADMN CCCOCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000049178606 358674158 /nfs/dbraw/zinc/67/41/58/358674158.db2.gz ZRECRJMMBAPDMA-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN C[C@@H](C(N)=O)N(C)Cc1cccc2ccccc21 ZINC000049236922 358677056 /nfs/dbraw/zinc/67/70/56/358677056.db2.gz RLTIFPUYFIEGOY-NSHDSACASA-N 0 1 242.322 2.145 20 0 BEADMN C[C@H]1CN(CCC2CCCC2)CCC1=O ZINC000049693783 358698135 /nfs/dbraw/zinc/69/81/35/358698135.db2.gz KTHBIZFDXLNYLQ-NSHDSACASA-N 0 1 209.333 2.478 20 0 BEADMN FCCNCc1scnc1C1CC1 ZINC000308396033 491136274 /nfs/dbraw/zinc/13/62/74/491136274.db2.gz DKCBBIXZDYMMCV-UHFFFAOYSA-N 0 1 200.282 2.080 20 0 BEADMN COC(=O)[C@H]1CCCN1Cc1cc(C)ccc1C ZINC000050048542 358710251 /nfs/dbraw/zinc/71/02/51/358710251.db2.gz VSQQFKMMDFXZOQ-CQSZACIVSA-N 0 1 247.338 2.441 20 0 BEADMN CCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000132489442 358724367 /nfs/dbraw/zinc/72/43/67/358724367.db2.gz UYOOZELROXHLKB-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cc(CNC2CC(OC(C)(C)C)C2)no1 ZINC000547845981 325408450 /nfs/dbraw/zinc/40/84/50/325408450.db2.gz JZJJJHFVKPFQCO-UHFFFAOYSA-N 0 1 238.331 2.419 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000050924749 358739682 /nfs/dbraw/zinc/73/96/82/358739682.db2.gz WULRCKHBADMVMA-ZDUSSCGKSA-N 0 1 248.326 2.301 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1[nH]nc2ccccc21 ZINC000134957027 358812990 /nfs/dbraw/zinc/81/29/90/358812990.db2.gz VJJHLPJRBZOOPR-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCC1CCCC1 ZINC000578245518 366468968 /nfs/dbraw/zinc/46/89/68/366468968.db2.gz QXTDMXHITJHQIU-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN CCC[C@H]1CCC[N@@H+](Cc2nccc(N)n2)C1 ZINC000135145992 358822491 /nfs/dbraw/zinc/82/24/91/358822491.db2.gz XDOXSQASDCYIQX-NSHDSACASA-N 0 1 234.347 2.071 20 0 BEADMN CCC[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000135145992 358822496 /nfs/dbraw/zinc/82/24/96/358822496.db2.gz XDOXSQASDCYIQX-NSHDSACASA-N 0 1 234.347 2.071 20 0 BEADMN COC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052104066 358773443 /nfs/dbraw/zinc/77/34/43/358773443.db2.gz DNRXCSGAXOKIIW-UHFFFAOYSA-N 0 1 225.332 2.203 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1ccc(O)cc1 ZINC000134233570 358783796 /nfs/dbraw/zinc/78/37/96/358783796.db2.gz ARNXQWJEQJLOJO-UHFFFAOYSA-N 0 1 231.299 2.022 20 0 BEADMN C[C@@H](NCCC(=O)NC(C)(C)C)c1ccco1 ZINC000134509295 358793458 /nfs/dbraw/zinc/79/34/58/358793458.db2.gz GVGMMIKDMGNMQS-SNVBAGLBSA-N 0 1 238.331 2.235 20 0 BEADMN CCOC(=O)[C@H](C)N1CCCC[C@H](SC)C1 ZINC000134577682 358796406 /nfs/dbraw/zinc/79/64/06/358796406.db2.gz PRMJVERDIFLEPZ-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN O=C([O-])CCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176928899 134294846 /nfs/dbraw/zinc/29/48/46/134294846.db2.gz ACVBEAAVLBVIQX-QWRGUYRKSA-N 0 1 243.372 2.211 20 0 BEADMN Cc1cc(Cl)ccc1CN1CCN(C)CC1 ZINC000136132475 358864698 /nfs/dbraw/zinc/86/46/98/358864698.db2.gz COQQXAJTPWHBHZ-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN CC(F)(F)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000578248634 366470907 /nfs/dbraw/zinc/47/09/07/366470907.db2.gz NNHHKTBIPPZMTM-UHFFFAOYSA-N 0 1 235.274 2.361 20 0 BEADMN CCc1noc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000578300343 366476577 /nfs/dbraw/zinc/47/65/77/366476577.db2.gz QODVEFBUOPHRSP-CHWFTXMASA-N 0 1 235.331 2.471 20 0 BEADMN CCCn1ncnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000578307520 366477973 /nfs/dbraw/zinc/47/79/73/366477973.db2.gz KJFRWEBNQFFFQS-STQMWFEESA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)CN1CCC(C)CC1 ZINC000137257425 358895104 /nfs/dbraw/zinc/89/51/04/358895104.db2.gz SXQIMXQURXAYNA-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CN[C@H](C)c1ncc[nH]1)C(F)(F)F ZINC000308828945 491138326 /nfs/dbraw/zinc/13/83/26/491138326.db2.gz FLPJQWOIPNVGOE-RNFRBKRXSA-N 0 1 221.226 2.259 20 0 BEADMN C[C@H](CF)NCc1n[nH]c2ccccc12 ZINC000308829482 491138335 /nfs/dbraw/zinc/13/83/35/491138335.db2.gz FRRFTVJHXQLZFQ-MRVPVSSYSA-N 0 1 207.252 2.011 20 0 BEADMN C[C@H](CF)NCc1[nH]nc2ccccc21 ZINC000308829482 491138336 /nfs/dbraw/zinc/13/83/36/491138336.db2.gz FRRFTVJHXQLZFQ-MRVPVSSYSA-N 0 1 207.252 2.011 20 0 BEADMN Cc1ccc2nc(-c3ccnn3C)[nH]c2c1 ZINC000061665609 358936312 /nfs/dbraw/zinc/93/63/12/358936312.db2.gz PZJLSQAAUQLGJR-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1cc(CN[C@H]2CCO[C@H](C(C)C)C2)no1 ZINC000070360567 359051137 /nfs/dbraw/zinc/05/11/37/359051137.db2.gz HYLYMAKDMJVCOU-AAEUAGOBSA-N 0 1 238.331 2.276 20 0 BEADMN CCCCN(C)CC(=O)Nc1nc(C)cs1 ZINC000070926230 359066778 /nfs/dbraw/zinc/06/67/78/359066778.db2.gz GAKFXMSOTCSCBU-UHFFFAOYSA-N 0 1 241.360 2.122 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000246433692 359084541 /nfs/dbraw/zinc/08/45/41/359084541.db2.gz KMPNCDRDNBJAHZ-WDEREUQCSA-N 0 1 215.337 2.304 20 0 BEADMN CC[C@H](C)CN(C)[C@H](C)C(=O)OC(C)C ZINC000246433692 359084543 /nfs/dbraw/zinc/08/45/43/359084543.db2.gz KMPNCDRDNBJAHZ-WDEREUQCSA-N 0 1 215.337 2.304 20 0 BEADMN Cc1cc(C(=O)CN2C[C@@H](C)[C@H](C)C2)c(C)[nH]1 ZINC000072869813 359091223 /nfs/dbraw/zinc/09/12/23/359091223.db2.gz JQHXJYHMDONGKN-NXEZZACHSA-N 0 1 234.343 2.402 20 0 BEADMN Cc1cc(C(=O)CN2C[C@H](C)[C@@H](C)C2)c(C)[nH]1 ZINC000072869817 359091267 /nfs/dbraw/zinc/09/12/67/359091267.db2.gz JQHXJYHMDONGKN-UWVGGRQHSA-N 0 1 234.343 2.402 20 0 BEADMN Cc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000074556687 359122020 /nfs/dbraw/zinc/12/20/20/359122020.db2.gz CVBXLHCXDVFHOM-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1cccnc1CNCc1ccncc1 ZINC000070907789 359065269 /nfs/dbraw/zinc/06/52/69/359065269.db2.gz ZGQVKUSMMKKBHY-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN COC[C@H](C)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000247577524 359236402 /nfs/dbraw/zinc/23/64/02/359236402.db2.gz SKYKTYJFZCUHIO-YDHLFZDLSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000247582743 359236589 /nfs/dbraw/zinc/23/65/89/359236589.db2.gz LRYZRZOIXJOKPF-UPJWGTAASA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H](O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000247642029 359237892 /nfs/dbraw/zinc/23/78/92/359237892.db2.gz TVIVOPPWNYTMBF-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN c1c(CN2CC[C@H]3CCC[C@H]32)nnn1CC1CC1 ZINC000450778761 202263338 /nfs/dbraw/zinc/26/33/38/202263338.db2.gz MHCJHOAFDADUKO-TZMCWYRMSA-N 0 1 246.358 2.063 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2cscn2)n1 ZINC000075959169 359248309 /nfs/dbraw/zinc/24/83/09/359248309.db2.gz NCWGUFROVMWNNI-SSDOTTSWSA-N 0 1 238.316 2.239 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccccc1N(C)C ZINC000075746559 359209203 /nfs/dbraw/zinc/20/92/03/359209203.db2.gz BNECBOPLKXSXRS-CQSZACIVSA-N 0 1 248.370 2.363 20 0 BEADMN C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247353190 359215913 /nfs/dbraw/zinc/21/59/13/359215913.db2.gz PLONZJZIILXWKY-YRGRVCCFSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@H](C(=O)N(C)C)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247353190 359215915 /nfs/dbraw/zinc/21/59/15/359215915.db2.gz PLONZJZIILXWKY-YRGRVCCFSA-N 0 1 246.354 2.156 20 0 BEADMN Nc1ncc(C[N@H+]2CCCC3(CC3)CC2)s1 ZINC000628480396 359317681 /nfs/dbraw/zinc/31/76/81/359317681.db2.gz XWQGFERTSXSINH-UHFFFAOYSA-N 0 1 237.372 2.322 20 0 BEADMN COc1nccnc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480310 359318137 /nfs/dbraw/zinc/31/81/37/359318137.db2.gz PIOKYUWVNUOPRM-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN COc1nccnc1CN1CCCC2(CC2)CC1 ZINC000628480310 359318141 /nfs/dbraw/zinc/31/81/41/359318141.db2.gz PIOKYUWVNUOPRM-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN Cc1cnn(C)c1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480291 359318352 /nfs/dbraw/zinc/31/83/52/359318352.db2.gz MXYSLBFMQVYSQG-UHFFFAOYSA-N 0 1 233.359 2.495 20 0 BEADMN CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248367157 359271715 /nfs/dbraw/zinc/27/17/15/359271715.db2.gz SYXZPXGLZLYKCB-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CCC)C(=O)CN1[C@H](C)C[C@H]1C ZINC000548426338 325457362 /nfs/dbraw/zinc/45/73/62/325457362.db2.gz SRFHUXQELBZZSL-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN CN(CC(=O)NCCC1=CCCCC1)C1CC1 ZINC000078398701 359326210 /nfs/dbraw/zinc/32/62/10/359326210.db2.gz WMWJCBVAKJTOJV-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CN(C)C1(C(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000613829747 363656056 /nfs/dbraw/zinc/65/60/56/363656056.db2.gz IDEUAHWJEIPTPB-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)OC(=O)CCN1CC[C@@H](C)[C@@H](F)C1 ZINC000611501564 359383358 /nfs/dbraw/zinc/38/33/58/359383358.db2.gz FHHWSGDOEJSPQH-MNOVXSKESA-N 0 1 231.311 2.008 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)CC1 ZINC000613834201 363658305 /nfs/dbraw/zinc/65/83/05/363658305.db2.gz JDHFIKAVMNSTOI-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CC[C@H](c2ccco2)C1 ZINC000611660936 359407460 /nfs/dbraw/zinc/40/74/60/359407460.db2.gz WUUDRXBCTNACMM-AAEUAGOBSA-N 0 1 249.310 2.021 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1cccc(C)c1 ZINC000287304015 359491950 /nfs/dbraw/zinc/49/19/50/359491950.db2.gz KVMYNLYXOSYJOL-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN Cc1ncncc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000580465542 359570053 /nfs/dbraw/zinc/57/00/53/359570053.db2.gz MLGCWAOSKGRYEC-ZMLRMANQSA-N 0 1 223.295 2.326 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CNc1ncnc2[nH]cnc21 ZINC000450811583 202274052 /nfs/dbraw/zinc/27/40/52/202274052.db2.gz NXCXUKULBVWSSB-IUCAKERBSA-N 0 1 231.303 2.009 20 0 BEADMN CC(C)CC1(CNC(=O)C2(N(C)C)CC2)CC1 ZINC000612257189 359755820 /nfs/dbraw/zinc/75/58/20/359755820.db2.gz YLQCRULDLWUFTB-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000578451759 366572496 /nfs/dbraw/zinc/57/24/96/366572496.db2.gz NZZHBAMEQPJDBZ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](O)CCCN[C@@H](C)c1c(F)cncc1F ZINC000450993557 202329321 /nfs/dbraw/zinc/32/93/21/202329321.db2.gz WAVNGZAOUNEAGZ-BDAKNGLRSA-N 0 1 244.285 2.171 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncs2)[nH]n1 ZINC000309119131 491145157 /nfs/dbraw/zinc/14/51/57/491145157.db2.gz MULIUPRAEXJNGF-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN CC1(C)CC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000612531749 359878125 /nfs/dbraw/zinc/87/81/25/359878125.db2.gz GRYDIJNWUMGXQP-WDEREUQCSA-N 0 1 247.342 2.340 20 0 BEADMN CN(Cc1cc2ccccc2o1)C(C)(C)C(N)=O ZINC000451137908 202363245 /nfs/dbraw/zinc/36/32/45/202363245.db2.gz WMUXSLJSWVJTBK-UHFFFAOYSA-N 0 1 246.310 2.129 20 0 BEADMN F[C@H]1CCN(CCCc2ccncc2)C1 ZINC000451193380 202376429 /nfs/dbraw/zinc/37/64/29/202376429.db2.gz JOHCTYGEYLSMMG-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@@H](F)C1 ZINC000451199428 202378223 /nfs/dbraw/zinc/37/82/23/202378223.db2.gz RENSMGTYDJVZMF-BNOWGMLFSA-N 0 1 237.318 2.195 20 0 BEADMN CC(C)(C)c1noc(-c2ccc(CN)o2)n1 ZINC000087043498 359896046 /nfs/dbraw/zinc/89/60/46/359896046.db2.gz MIUKSJWINURMOH-UHFFFAOYSA-N 0 1 221.260 2.086 20 0 BEADMN CC[N@@H+](C[C@H]1CCC(F)(F)C1)C1COC1 ZINC000451281869 202394126 /nfs/dbraw/zinc/39/41/26/202394126.db2.gz APKKVJGVCCAQSF-VIFPVBQESA-N 0 1 219.275 2.143 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@H]2C2CC2)s1 ZINC000309172149 491145855 /nfs/dbraw/zinc/14/58/55/491145855.db2.gz LQHSTFOTWKOUQK-UWVGGRQHSA-N 0 1 223.345 2.125 20 0 BEADMN CC[C@@H](N[C@H](C)c1ccccc1F)C(=O)NC ZINC000451278138 202394997 /nfs/dbraw/zinc/39/49/97/202394997.db2.gz CCDMZXAXQXHEFO-BXKDBHETSA-N 0 1 238.306 2.001 20 0 BEADMN Cc1nnc(CN[C@H]2CCC2(C)C)n1C1CC1 ZINC000578640671 366616640 /nfs/dbraw/zinc/61/66/40/366616640.db2.gz USQMTRSAOPHDNQ-NSHDSACASA-N 0 1 234.347 2.200 20 0 BEADMN C[C@@H](NCc1cscn1)[C@H]1CCCCO1 ZINC000309158421 491145699 /nfs/dbraw/zinc/14/56/99/491145699.db2.gz YBLPXTZOWJOSHY-MWLCHTKSSA-N 0 1 226.345 2.190 20 0 BEADMN CC1(C)C[N@@H+](CC2(C(=O)[O-])CC2)[C@H]2CCC[C@H]21 ZINC000578756607 366639522 /nfs/dbraw/zinc/63/95/22/366639522.db2.gz YKAOUDVEWMJUKP-MNOVXSKESA-N 0 1 237.343 2.362 20 0 BEADMN CC1(C)C[N@@H+](CC2(C(=O)[O-])CC2)[C@@H]2CCC[C@@H]21 ZINC000578756609 366639769 /nfs/dbraw/zinc/63/97/69/366639769.db2.gz YKAOUDVEWMJUKP-WDEREUQCSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CCC(C)(C)C ZINC000578931460 366676160 /nfs/dbraw/zinc/67/61/60/366676160.db2.gz ZKWOLTQSEKLGOT-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN OC1(C2CC2)CN(c2ccnc3ccccc32)C1 ZINC000089667134 360033455 /nfs/dbraw/zinc/03/34/55/360033455.db2.gz QDDOGGGUDFWWED-UHFFFAOYSA-N 0 1 240.306 2.196 20 0 BEADMN CC[C@@H](C)C[C@H](CC)NCc1ncn(C)n1 ZINC000090970166 360094795 /nfs/dbraw/zinc/09/47/95/360094795.db2.gz CRSHZQGRZPNZPN-MNOVXSKESA-N 0 1 224.352 2.120 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NCc1ncn(C)n1 ZINC000090969297 360094858 /nfs/dbraw/zinc/09/48/58/360094858.db2.gz IGMJQBYKSRIFFR-NEPJUHHUSA-N 0 1 236.363 2.120 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)c3cc[nH]c3)ccc12 ZINC000091827257 360131966 /nfs/dbraw/zinc/13/19/66/360131966.db2.gz AQSNCBGRQUMLHB-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CCCCN(CC(N)=O)Cc1sccc1C ZINC000091950440 360137542 /nfs/dbraw/zinc/13/75/42/360137542.db2.gz FAEFDYSZTQEHPI-UHFFFAOYSA-N 0 1 240.372 2.144 20 0 BEADMN CN(CCC1CCCCC1)Cc1cnnn1C ZINC000092784457 360195694 /nfs/dbraw/zinc/19/56/94/360195694.db2.gz UVICYDDSIMKIAT-UHFFFAOYSA-N 0 1 236.363 2.217 20 0 BEADMN CCc1nn(C)cc1CN[C@@H](C)c1ccncc1 ZINC000092354454 360164563 /nfs/dbraw/zinc/16/45/63/360164563.db2.gz CMBAPDZBCRZUMW-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN c1nc(C[NH+]2CCC(OC3CCCC3)CC2)c[nH]1 ZINC000092758763 360194699 /nfs/dbraw/zinc/19/46/99/360194699.db2.gz PMCKLEKIJRBGHV-UHFFFAOYSA-N 0 1 249.358 2.333 20 0 BEADMN CSCCN(C)Cc1cnc(N(C)C)s1 ZINC000093509559 360253981 /nfs/dbraw/zinc/25/39/81/360253981.db2.gz QSZPGPPKHQQZAR-UHFFFAOYSA-N 0 1 245.417 2.004 20 0 BEADMN CSCCN(C)Cc1cnc2cc(C)ccn12 ZINC000093509492 360254479 /nfs/dbraw/zinc/25/44/79/360254479.db2.gz KJCDHYVPJZILON-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN CCCO[C@@H]1CCCN(Cc2cc[nH]n2)CC1 ZINC000093317744 360230656 /nfs/dbraw/zinc/23/06/56/360230656.db2.gz YUTIGYWFGFBISD-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN c1cc([C@@H]2CN(Cc3cnc[nH]3)CCO2)cs1 ZINC000093768357 360274467 /nfs/dbraw/zinc/27/44/67/360274467.db2.gz JJYPNMANWGTCEP-LBPRGKRZSA-N 0 1 249.339 2.045 20 0 BEADMN c1ccc2nc(SCc3nn[nH]n3)ccc2c1 ZINC000095250988 360334408 /nfs/dbraw/zinc/33/44/08/360334408.db2.gz RXAPKBHKYBTCGH-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN CCC1CCN(C(=O)c2ccc(CN)o2)CC1 ZINC000094568968 360312664 /nfs/dbraw/zinc/31/26/64/360312664.db2.gz RJSKICPDEXMNPQ-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2ccc(CN)o2)C1 ZINC000094565456 360313126 /nfs/dbraw/zinc/31/31/26/360313126.db2.gz QLQRMFWYHOPYBP-SNVBAGLBSA-N 0 1 236.315 2.001 20 0 BEADMN Cc1ccc(NC(=O)N2CC(N(C)C)C2)c(C)c1 ZINC000059753013 360422440 /nfs/dbraw/zinc/42/24/40/360422440.db2.gz UOAFFAHJTSHWQZ-UHFFFAOYSA-N 0 1 247.342 2.081 20 0 BEADMN CC1(C)CCC(C)(C)N(C(=O)c2cnc[nH]2)C1 ZINC000628532718 360534355 /nfs/dbraw/zinc/53/43/55/360534355.db2.gz YBUOVXJBMAINQE-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@H](CCc1ccccc1)NC(=O)CN(C)C ZINC000628607992 360573252 /nfs/dbraw/zinc/57/32/52/360573252.db2.gz IONFFIXEVAWWFS-CQSZACIVSA-N 0 1 248.370 2.076 20 0 BEADMN CC[C@@]1(NCc2ccncc2Cl)CCOC1 ZINC000309465857 491149800 /nfs/dbraw/zinc/14/98/00/491149800.db2.gz PJCGSZVLEATLLP-GFCCVEGCSA-N 0 1 240.734 2.394 20 0 BEADMN CCN(CC(=O)OC)CC1CCC2(CC2)CC1 ZINC001641696116 1172282934 /nfs/dbraw/zinc/28/29/34/1172282934.db2.gz MPRIJKQCQFZJTR-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN O=C(c1ccc2cncn2c1)N(C1CC1)C1CC1 ZINC000628816021 360669083 /nfs/dbraw/zinc/66/90/83/360669083.db2.gz ZPSOFQWMLBXENI-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ncc[nH]1 ZINC000309553402 491151270 /nfs/dbraw/zinc/15/12/70/491151270.db2.gz IYQVGDPWZOADCO-NXEZZACHSA-N 0 1 223.320 2.018 20 0 BEADMN CCC[C@@H](CCO)NCc1ncc(Cl)s1 ZINC000631198973 360760965 /nfs/dbraw/zinc/76/09/65/360760965.db2.gz NIBRBZNJAZTVEH-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2occc2c1)N(C)C ZINC000628961066 360774180 /nfs/dbraw/zinc/77/41/80/360774180.db2.gz YOXNBPPGUUPJCS-VIFPVBQESA-N 0 1 232.283 2.321 20 0 BEADMN NC(=O)c1cnccc1NCC1(C2CC2)CCC1 ZINC000302146182 181310326 /nfs/dbraw/zinc/31/03/26/181310326.db2.gz JKBQRNLAIMVQRL-UHFFFAOYSA-N 0 1 245.326 2.173 20 0 BEADMN CCc1nnc(SCCCc2cnoc2)[nH]1 ZINC000629111387 360881614 /nfs/dbraw/zinc/88/16/14/360881614.db2.gz KQCRILCDQIYXTQ-UHFFFAOYSA-N 0 1 238.316 2.080 20 0 BEADMN CCc1n[nH]c(SCCCc2cnoc2)n1 ZINC000629111387 360881620 /nfs/dbraw/zinc/88/16/20/360881620.db2.gz KQCRILCDQIYXTQ-UHFFFAOYSA-N 0 1 238.316 2.080 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@]23C[C@@H]2CCCC3)c1C ZINC000634085150 360895724 /nfs/dbraw/zinc/89/57/24/360895724.db2.gz IILJXJLNPYSJAH-GWCFXTLKSA-N 0 1 233.315 2.089 20 0 BEADMN CCc1nnc(CN2CCC[C@H]2C(C)C)o1 ZINC000064517566 360937681 /nfs/dbraw/zinc/93/76/81/360937681.db2.gz TUJGGOBIZOFKSA-JTQLQIEISA-N 0 1 223.320 2.252 20 0 BEADMN CC1(C)CC(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])C1 ZINC000629363973 361007229 /nfs/dbraw/zinc/00/72/29/361007229.db2.gz JANJWKVNYWSBFY-ZDUSSCGKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000629360968 361009492 /nfs/dbraw/zinc/00/94/92/361009492.db2.gz ZJLTYYKTNKPVQA-OSMZGAPFSA-N 0 1 245.322 2.326 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000629364834 361018754 /nfs/dbraw/zinc/01/87/54/361018754.db2.gz QLZGJFFOKALFOE-WZRBSPASSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])C2CC2)C[C@H](C)C1(F)F ZINC000629365095 361019213 /nfs/dbraw/zinc/01/92/13/361019213.db2.gz STXXIWJAJJCEDQ-KHQFGBGNSA-N 0 1 247.285 2.073 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCCC[C@H]1C ZINC000066407168 361228660 /nfs/dbraw/zinc/22/86/60/361228660.db2.gz YPVOQQRYTLCMCK-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3ccccc3C(=O)[O-])C[C@@H]21 ZINC000380376895 361235393 /nfs/dbraw/zinc/23/53/93/361235393.db2.gz JJPBTTRARKFROV-BETUJISGSA-N 0 1 245.322 2.473 20 0 BEADMN Cc1nocc1NC(=O)c1cc(C(C)C)no1 ZINC000640485507 361279060 /nfs/dbraw/zinc/27/90/60/361279060.db2.gz ILDHAVVGVIOFPN-UHFFFAOYSA-N 0 1 235.243 2.347 20 0 BEADMN Cc1cccc(Cl)c1CN1C[C@@H]2C[C@]2(O)C1 ZINC000640485552 361279104 /nfs/dbraw/zinc/27/91/04/361279104.db2.gz HZGIKRQIIDNETE-GWCFXTLKSA-N 0 1 237.730 2.215 20 0 BEADMN Cc1ccc(CN2C[C@H]3C[C@@]3(O)C2)c(Cl)c1 ZINC000640489622 361283748 /nfs/dbraw/zinc/28/37/48/361283748.db2.gz ZIYVMYBAPOKVOJ-DGCLKSJQSA-N 0 1 237.730 2.215 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@H](F)C1 ZINC000578996444 366689763 /nfs/dbraw/zinc/68/97/63/366689763.db2.gz MUZYLRYJAMQVCT-VIFPVBQESA-N 0 1 241.237 2.105 20 0 BEADMN CSCCN(C)[C@H](C)c1cnc(C)cn1 ZINC000428375810 201010755 /nfs/dbraw/zinc/01/07/55/201010755.db2.gz CXBHXMZNEJEBEV-SNVBAGLBSA-N 0 1 225.361 2.141 20 0 BEADMN CCCc1nc(C)c(CN(CCC)CCO)o1 ZINC000428453580 201020050 /nfs/dbraw/zinc/02/00/50/201020050.db2.gz BPWBNJZJRHXRDT-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000428474166 201023124 /nfs/dbraw/zinc/02/31/24/201023124.db2.gz QUBSECBBHHSBER-VIFPVBQESA-N 0 1 229.707 2.280 20 0 BEADMN C[C@](O)(CNCc1cocn1)C1CCCCC1 ZINC000428535214 201025760 /nfs/dbraw/zinc/02/57/60/201025760.db2.gz PUEMDUSYAUPYJM-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN CCN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000622050759 370682330 /nfs/dbraw/zinc/68/23/30/370682330.db2.gz OKPNNWDNRLNWSH-UHFFFAOYSA-N 0 1 238.331 2.213 20 0 BEADMN Cc1cc(CCNCc2cocn2)cc(C)c1O ZINC000428554623 201028024 /nfs/dbraw/zinc/02/80/24/201028024.db2.gz SCSVSUPTDSCXGD-UHFFFAOYSA-N 0 1 246.310 2.329 20 0 BEADMN CCN1N=C(c2ccc(Cl)cc2)CC1=O ZINC000614190264 363751252 /nfs/dbraw/zinc/75/12/52/363751252.db2.gz WDCWEWUSBGKZLW-UHFFFAOYSA-N 0 1 222.675 2.296 20 0 BEADMN CCC[C@@H](C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640606052 361329711 /nfs/dbraw/zinc/32/97/11/361329711.db2.gz RRJQVZXZDNTIHN-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cccc(CN(C)[C@H](C)C(=O)N(C)C)c1C ZINC000428710040 201036942 /nfs/dbraw/zinc/03/69/42/201036942.db2.gz IQEXCWZCJUALSN-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CC[C@@H](CSC)NCc1cscn1 ZINC000162164297 361338398 /nfs/dbraw/zinc/33/83/98/361338398.db2.gz LEKDKHAHRWGXJE-QMMMGPOBSA-N 0 1 216.375 2.374 20 0 BEADMN Cc1ccc2nc(CNCc3cocn3)[nH]c2c1 ZINC000428860754 201045246 /nfs/dbraw/zinc/04/52/46/201045246.db2.gz HWBXWEPNEAGUOJ-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NCc2cocn2)CCO1 ZINC000428867075 201045684 /nfs/dbraw/zinc/04/56/84/201045684.db2.gz ZYVAFNVNCGYLIY-ZYHUDNBSSA-N 0 1 238.331 2.358 20 0 BEADMN CCc1nc(C)c(CN(C)[C@@H]2CCCOC2)o1 ZINC000428951031 201052475 /nfs/dbraw/zinc/05/24/75/201052475.db2.gz DUKBNGPQFCIJED-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1nc(C)c(CN(CC)C[C@H](C)OC)o1 ZINC000428985907 201056001 /nfs/dbraw/zinc/05/60/01/201056001.db2.gz XIKKCLUCCTYDBV-JTQLQIEISA-N 0 1 240.347 2.402 20 0 BEADMN c1cnc(CN(C2CCC2)C2CCC2)nc1 ZINC000429154881 201073372 /nfs/dbraw/zinc/07/33/72/201073372.db2.gz MMHWDNPKZDOZPJ-UHFFFAOYSA-N 0 1 217.316 2.384 20 0 BEADMN CC(C)CCCN1CCn2ccnc2C1 ZINC000429058544 201062502 /nfs/dbraw/zinc/06/25/02/201062502.db2.gz HIJRPEPJQSFNEU-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)CC[C@@H](C)F ZINC000429120245 201068278 /nfs/dbraw/zinc/06/82/78/201068278.db2.gz DUENQQUBHVOZHA-MNOVXSKESA-N 0 1 233.327 2.254 20 0 BEADMN CCCN(CC(N)=O)Cc1cc(C)cc(C)c1 ZINC000429144496 201074359 /nfs/dbraw/zinc/07/43/59/201074359.db2.gz SYQJHNKDOLVMCO-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN CC[C@H]1CCN1Cc1cc(C)c(C(=O)OC)o1 ZINC000429286568 201093344 /nfs/dbraw/zinc/09/33/44/201093344.db2.gz RZMIAQYUCATWKO-JTQLQIEISA-N 0 1 237.299 2.359 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@@H](CSC)C1 ZINC000429290960 201094204 /nfs/dbraw/zinc/09/42/04/201094204.db2.gz HCRLDJQQGGDFFB-MNOVXSKESA-N 0 1 245.388 2.013 20 0 BEADMN Cc1ccccc1[C@@H](C)N1CCc2n[nH]nc2C1 ZINC000429304547 201097489 /nfs/dbraw/zinc/09/74/89/201097489.db2.gz YQGSBRZNTVWBBJ-LLVKDONJSA-N 0 1 242.326 2.232 20 0 BEADMN C[C@@H]1CC[C@H](N(C)CC(=O)c2cccn2C)C1 ZINC000429560868 201116706 /nfs/dbraw/zinc/11/67/06/201116706.db2.gz OQMYARFVSGDCSI-NEPJUHHUSA-N 0 1 234.343 2.328 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000429578530 201118053 /nfs/dbraw/zinc/11/80/53/201118053.db2.gz TVDUTFRVPIOONZ-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000429578530 201118055 /nfs/dbraw/zinc/11/80/55/201118055.db2.gz TVDUTFRVPIOONZ-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN CC1(CC(=O)Nc2nc(-c3ccco3)n[nH]2)CC1 ZINC000430049855 201139638 /nfs/dbraw/zinc/13/96/38/201139638.db2.gz AQPRNTRSUJKXBQ-UHFFFAOYSA-N 0 1 246.270 2.193 20 0 BEADMN NC1(c2noc(-c3ccoc3)n2)CCCC1 ZINC000041052986 181336374 /nfs/dbraw/zinc/33/63/74/181336374.db2.gz DKDOSDORVIFBGS-UHFFFAOYSA-N 0 1 219.244 2.058 20 0 BEADMN C[C@H]1CCC[C@H]1NCc1nc(C2CC2)no1 ZINC000381454362 361462604 /nfs/dbraw/zinc/46/26/04/361462604.db2.gz HTFBUIPGMVPVOC-WCBMZHEXSA-N 0 1 221.304 2.225 20 0 BEADMN CC[C@H]1CCN1Cc1cc2c(cc1OC)OCO2 ZINC000430205183 201153162 /nfs/dbraw/zinc/15/31/62/201153162.db2.gz MAZFSJAVRGVYNS-NSHDSACASA-N 0 1 249.310 2.408 20 0 BEADMN NC1(c2noc(-c3ccco3)n2)CCCCC1 ZINC000041153497 181336006 /nfs/dbraw/zinc/33/60/06/181336006.db2.gz TYJOCYWAXVYVIX-UHFFFAOYSA-N 0 1 233.271 2.448 20 0 BEADMN CC[C@H]1CCN1Cc1cnn(CC(F)(F)F)c1 ZINC000430208208 201154739 /nfs/dbraw/zinc/15/47/39/201154739.db2.gz SUXSNQGKLJQRIU-JTQLQIEISA-N 0 1 247.264 2.430 20 0 BEADMN NC1(c2noc([C@@H]3CCCCO3)n2)CCCC1 ZINC000050973575 181336973 /nfs/dbraw/zinc/33/69/73/181336973.db2.gz SDKMMGRPAXSDRC-VIFPVBQESA-N 0 1 237.303 2.039 20 0 BEADMN CS[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000448545447 201197433 /nfs/dbraw/zinc/19/74/33/201197433.db2.gz AULYUEJVDNLAJM-LLVKDONJSA-N 0 1 217.378 2.096 20 0 BEADMN CCC[C@H](OCC)c1nc([C@H]2CCCN2)no1 ZINC000629675318 361598218 /nfs/dbraw/zinc/59/82/18/361598218.db2.gz PDKGBPZNDOAKLO-ZJUUUORDSA-N 0 1 239.319 2.372 20 0 BEADMN CC(C)n1ncnc1CN(CC1CC1)CC1CC1 ZINC000434470596 201220587 /nfs/dbraw/zinc/22/05/87/201220587.db2.gz OSFSJVPUEDRAIT-UHFFFAOYSA-N 0 1 248.374 2.481 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000153881598 201252867 /nfs/dbraw/zinc/25/28/67/201252867.db2.gz QBIIGRQGLWMKAC-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nn(C)cc1-c1cc(C(F)(F)F)n[nH]1 ZINC000629729840 361668115 /nfs/dbraw/zinc/66/81/15/361668115.db2.gz GSHUGKGQSWGHSO-UHFFFAOYSA-N 0 1 230.193 2.137 20 0 BEADMN C[C@H](F)CCNC(=O)c1ccc(F)cc1O ZINC000436545114 201331032 /nfs/dbraw/zinc/33/10/32/201331032.db2.gz MMDXWYOAWUQUGS-ZETCQYMHSA-N 0 1 229.226 2.009 20 0 BEADMN CCC(=O)c1ccc(O)c(NC(=O)C2CC2)c1 ZINC000436642569 201334485 /nfs/dbraw/zinc/33/44/85/201334485.db2.gz BFXWSINPGOPFOB-UHFFFAOYSA-N 0 1 233.267 2.333 20 0 BEADMN CC1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001641930992 1172308793 /nfs/dbraw/zinc/30/87/93/1172308793.db2.gz GKVIQPQKLQEVKZ-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1O ZINC000436999870 201342541 /nfs/dbraw/zinc/34/25/41/201342541.db2.gz MGKMFMYWAPSJAC-WDEREUQCSA-N 0 1 235.258 2.060 20 0 BEADMN O=C(CCc1cnc[nH]1)NC[C@@H]1CCCC12CC2 ZINC000629832322 361731234 /nfs/dbraw/zinc/73/12/34/361731234.db2.gz ZRLHMZZKGWATPS-NSHDSACASA-N 0 1 247.342 2.039 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000348331811 541305731 /nfs/dbraw/zinc/30/57/31/541305731.db2.gz KNAWBYFWVMSEFT-VXGBXAGGSA-N 0 1 248.374 2.311 20 0 BEADMN CC(C)c1ccc(NC(=O)Cc2nc[nH]n2)cc1 ZINC000630409902 364142915 /nfs/dbraw/zinc/14/29/15/364142915.db2.gz JWGIMUBIGDNFFA-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CC[C@H](C(=O)OC)N(C)CCC(C)(C)C ZINC000614918364 364086427 /nfs/dbraw/zinc/08/64/27/364086427.db2.gz PJJALHDRHGNQBW-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN CCc1ccc(C)nc1NC(=O)c1cn[nH]c1C ZINC000622140259 370731754 /nfs/dbraw/zinc/73/17/54/370731754.db2.gz PDLGCNVWEJKNDA-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCC[C@H](CCO)N[C@@H](C)c1cc(C)on1 ZINC000631670430 364199171 /nfs/dbraw/zinc/19/91/71/364199171.db2.gz VDKJWUCFZBSZEM-WDEREUQCSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1nc(C(C)C)ccc1Cn1ccnc1CN ZINC000630583300 364284888 /nfs/dbraw/zinc/28/48/88/364284888.db2.gz DFYWWWULIKMLGE-UHFFFAOYSA-N 0 1 244.342 2.217 20 0 BEADMN C[C@@H]1CCCC[C@H]1Cn1ccnc1CN ZINC000630584099 364288063 /nfs/dbraw/zinc/28/80/63/364288063.db2.gz QHZOFIDNBWBPLZ-MNOVXSKESA-N 0 1 207.321 2.168 20 0 BEADMN NCc1nccn1Cc1ccc(C(F)F)cc1 ZINC000630584276 364288546 /nfs/dbraw/zinc/28/85/46/364288546.db2.gz UTUKFKSKOKZAFH-UHFFFAOYSA-N 0 1 237.253 2.328 20 0 BEADMN NCc1nccn1CCCc1ccsc1 ZINC000630584253 364288847 /nfs/dbraw/zinc/28/88/47/364288847.db2.gz UEKMFBZOOBIAFU-UHFFFAOYSA-N 0 1 221.329 2.036 20 0 BEADMN Cc1cccc(C)c1OCCn1ccnc1CN ZINC000630583878 364289406 /nfs/dbraw/zinc/28/94/06/364289406.db2.gz JMLQAWKLCPZAOI-UHFFFAOYSA-N 0 1 245.326 2.038 20 0 BEADMN Cc1cc(C)cc(OCCn2ccnc2CN)c1 ZINC000630584336 364290624 /nfs/dbraw/zinc/29/06/24/364290624.db2.gz QWLQJVWLTDAUEL-UHFFFAOYSA-N 0 1 245.326 2.038 20 0 BEADMN CCN(C(=O)c1n[nH]cc1C(F)(F)F)C1CC1 ZINC000630682007 364445130 /nfs/dbraw/zinc/44/51/30/364445130.db2.gz TWGGFQHIEFZVJZ-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H](C)C2CC2)s1 ZINC000135007513 364422519 /nfs/dbraw/zinc/42/25/19/364422519.db2.gz SHOYXKOLVZNRBJ-BQBZGAKWSA-N 0 1 211.334 2.296 20 0 BEADMN C[C@H]1CCN(CC(=O)OC(C)(C)C)[C@H]1C ZINC000248359192 364629565 /nfs/dbraw/zinc/62/95/65/364629565.db2.gz RQZDQPZVWHPYNC-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)(C)CCc1nc([C@H]2CCCN2)no1 ZINC000300766360 541375759 /nfs/dbraw/zinc/37/57/59/541375759.db2.gz DSCPCYIJJDTDER-SECBINFHSA-N 0 1 223.320 2.473 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000552918660 325669542 /nfs/dbraw/zinc/66/95/42/325669542.db2.gz DOZMIZUZOFBMDN-OLZOCXBDSA-N 0 1 240.391 2.268 20 0 BEADMN CCc1nc([C@H](C)N(C)CCCSC)n[nH]1 ZINC000595469344 541379708 /nfs/dbraw/zinc/37/97/08/541379708.db2.gz FYKKVMYJVOWRCT-VIFPVBQESA-N 0 1 242.392 2.113 20 0 BEADMN CSCC[N@@H+](C)Cc1ccccc1C(=O)[O-] ZINC000167576940 364796469 /nfs/dbraw/zinc/79/64/69/364796469.db2.gz OTTIXCJQNJSJAN-UHFFFAOYSA-N 0 1 239.340 2.180 20 0 BEADMN CSCC[N@@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000167577207 364797242 /nfs/dbraw/zinc/79/72/42/364797242.db2.gz HKNLHJPMVSDQKC-UHFFFAOYSA-N 0 1 243.328 2.081 20 0 BEADMN C[C@@H](O)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000573318532 364797290 /nfs/dbraw/zinc/79/72/90/364797290.db2.gz WUZDDULTZQRCPL-TZMCWYRMSA-N 0 1 237.318 2.328 20 0 BEADMN CC[C@@H](O)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000293699142 364767496 /nfs/dbraw/zinc/76/74/96/364767496.db2.gz WZONQOJKXZSUMI-SNVBAGLBSA-N 0 1 243.734 2.296 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccn2)CC1 ZINC000191968429 364777277 /nfs/dbraw/zinc/77/72/77/364777277.db2.gz KDHAJKOSTFPGCY-LLVKDONJSA-N 0 1 205.305 2.099 20 0 BEADMN CCc1nc(CNc2cccc(Cl)n2)n[nH]1 ZINC000295031286 364778406 /nfs/dbraw/zinc/77/84/06/364778406.db2.gz VZWLIWWVMGZKCP-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN c1ccc([C@H]2CCN(Cc3ncccn3)C2)cc1 ZINC000191973180 364778551 /nfs/dbraw/zinc/77/85/51/364778551.db2.gz FJTLLCXHYJUBQM-AWEZNQCLSA-N 0 1 239.322 2.466 20 0 BEADMN CC(C)c1nc(CSCCC(C)(C)O)n[nH]1 ZINC000573505228 364851438 /nfs/dbraw/zinc/85/14/38/364851438.db2.gz BUTKSEAUTCRMED-UHFFFAOYSA-N 0 1 243.376 2.322 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1cscn1 ZINC000573376025 364814847 /nfs/dbraw/zinc/81/48/47/364814847.db2.gz FMBSITQBPDZWRM-MWLCHTKSSA-N 0 1 228.361 2.030 20 0 BEADMN CC(C)COCCN(C)Cc1cccnc1 ZINC000283369142 541406791 /nfs/dbraw/zinc/40/67/91/541406791.db2.gz SCFIURPEKMYDCL-UHFFFAOYSA-N 0 1 222.332 2.186 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CC2(C1)CCCCC2 ZINC000334207304 541412673 /nfs/dbraw/zinc/41/26/73/541412673.db2.gz WXEONSTZAYYSCG-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000573922721 364946700 /nfs/dbraw/zinc/94/67/00/364946700.db2.gz DGKYKEJFZGIXKN-VHSXEESVSA-N 0 1 220.272 2.055 20 0 BEADMN Cc1ncc(CNCc2ccc(F)c(C)c2)n1C ZINC000574339866 365042949 /nfs/dbraw/zinc/04/29/49/365042949.db2.gz OVYQVIMOEJIKDL-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CC(C)c1nnc(CN[C@@H]2CCC23CCC3)[nH]1 ZINC000574845300 365158556 /nfs/dbraw/zinc/15/85/56/365158556.db2.gz SOXZXTAFWVUCLU-SNVBAGLBSA-N 0 1 234.347 2.350 20 0 BEADMN FC(F)OC[C@@H]1CCN(CC2(F)CC2)C1 ZINC000575027289 365173017 /nfs/dbraw/zinc/17/30/17/365173017.db2.gz YNEQGZOKKAIFHM-MRVPVSSYSA-N 0 1 223.238 2.050 20 0 BEADMN COCC(C)(C)NCc1cn2c(cccc2C)n1 ZINC000171203495 365178335 /nfs/dbraw/zinc/17/83/35/365178335.db2.gz FPBVGCPNFHNUTN-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN CC1CC(CNC(=O)c2ccc3cncn3c2)C1 ZINC000622238685 370786954 /nfs/dbraw/zinc/78/69/54/370786954.db2.gz ZYLCNIFTZDIVFM-UHFFFAOYSA-N 0 1 243.310 2.110 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)c1coc(CN)c1 ZINC000444130849 193035891 /nfs/dbraw/zinc/03/58/91/193035891.db2.gz NCZIHQYTKPYDQE-VHSXEESVSA-N 0 1 238.331 2.293 20 0 BEADMN CCN(CCCCC(F)(F)F)CC(=O)OC ZINC000443626193 193026724 /nfs/dbraw/zinc/02/67/24/193026724.db2.gz BCCGMBLTXXKYTO-UHFFFAOYSA-N 0 1 241.253 2.214 20 0 BEADMN c1cnc(CN(C2CC2)C2CCCC2)nc1 ZINC000192014850 365258269 /nfs/dbraw/zinc/25/82/69/365258269.db2.gz MEQBDIKQLYZZSM-UHFFFAOYSA-N 0 1 217.316 2.384 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C)C1 ZINC000444464382 193046872 /nfs/dbraw/zinc/04/68/72/193046872.db2.gz IURHGLFOYKJUNJ-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN C=Cc1ccc(C(=O)Nc2nnc(C)[nH]2)cc1 ZINC000192056708 365272130 /nfs/dbraw/zinc/27/21/30/365272130.db2.gz HMLDDDURYILBSM-UHFFFAOYSA-N 0 1 228.255 2.008 20 0 BEADMN C=Cc1ccc(C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000192056708 365272134 /nfs/dbraw/zinc/27/21/34/365272134.db2.gz HMLDDDURYILBSM-UHFFFAOYSA-N 0 1 228.255 2.008 20 0 BEADMN CC/C=C/CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000575412596 365313654 /nfs/dbraw/zinc/31/36/54/365313654.db2.gz GRDKJFQHYUJZCK-UFFNRZRYSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000172873915 365386045 /nfs/dbraw/zinc/38/60/45/365386045.db2.gz WVUUVZVEQBCRAE-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC1(C)C ZINC000575933395 365420836 /nfs/dbraw/zinc/42/08/36/365420836.db2.gz LKCZXBQJEZOGPS-CMPLNLGQSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000576050216 365464357 /nfs/dbraw/zinc/46/43/57/365464357.db2.gz ANHXUOZFQIBZMS-LLVKDONJSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1=CCCCC1 ZINC000576002247 365442849 /nfs/dbraw/zinc/44/28/49/365442849.db2.gz UERLHUSURUDCRC-NSHDSACASA-N 0 1 247.342 2.205 20 0 BEADMN Cc1cc(CC(=O)NC2(C3CCC3)CCC2)[nH]n1 ZINC000576085862 365478383 /nfs/dbraw/zinc/47/83/83/365478383.db2.gz FQDBOCAHHIBJOT-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN CCOCCN[C@@H](C)c1cn2ccccc2n1 ZINC000579614070 366910291 /nfs/dbraw/zinc/91/02/91/366910291.db2.gz OHJUCDHATMMXPI-NSHDSACASA-N 0 1 233.315 2.021 20 0 BEADMN CCCCN(CC)C(=O)c1cccc2nn[nH]c21 ZINC000182685509 366932516 /nfs/dbraw/zinc/93/25/16/366932516.db2.gz OKBFYSVPONRBPT-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nc([C@@H](C)OC)no1 ZINC000183039450 366967751 /nfs/dbraw/zinc/96/77/51/366967751.db2.gz MLDQTTHFEXUTRF-IVZWLZJFSA-N 0 1 241.335 2.301 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@H]2C2CC2)[nH]c1C ZINC000579735363 366999508 /nfs/dbraw/zinc/99/95/08/366999508.db2.gz ZBZZTBGBMTXWOX-KBPBESRZSA-N 0 1 249.358 2.074 20 0 BEADMN CCC1CN(Cc2ccc3c(c2)OCCO3)C1 ZINC000453606390 202783968 /nfs/dbraw/zinc/78/39/68/202783968.db2.gz PVNCGCQVXWZHPO-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN NC(=O)C1(NCc2csc3ccccc23)CC1 ZINC000183832292 367052031 /nfs/dbraw/zinc/05/20/31/367052031.db2.gz KBCBGAGMNFYFIY-UHFFFAOYSA-N 0 1 246.335 2.009 20 0 BEADMN CN(CC1CCCCC1)c1ccncc1C(N)=O ZINC000184046738 367058182 /nfs/dbraw/zinc/05/81/82/367058182.db2.gz PRNJHVALSMOCND-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN C[C@H]1CC(Nc2ccncc2C(N)=O)C[C@H](C)C1 ZINC000184121369 367064445 /nfs/dbraw/zinc/06/44/45/367064445.db2.gz WBVUMYSHHFAVBX-NXEZZACHSA-N 0 1 247.342 2.417 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1cccc2nn[nH]c21 ZINC000183599109 367032592 /nfs/dbraw/zinc/03/25/92/367032592.db2.gz IWNMVXNIXBYCHB-VIFPVBQESA-N 0 1 246.314 2.076 20 0 BEADMN C(c1noc([C@H]2CCCCCN2)n1)C1CC1 ZINC000087580210 367119140 /nfs/dbraw/zinc/11/91/40/367119140.db2.gz MADSFAVKJIGEQI-SNVBAGLBSA-N 0 1 221.304 2.227 20 0 BEADMN CC[C@@H]1CN(C(C)=O)CCN1Cc1ccccc1 ZINC000185358705 367129088 /nfs/dbraw/zinc/12/90/88/367129088.db2.gz VPBQRXUVUVVFFZ-OAHLLOKOSA-N 0 1 246.354 2.129 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nc(C2CC2)nn1C ZINC000580772210 367161243 /nfs/dbraw/zinc/16/12/43/367161243.db2.gz WTZDXLBFNINHHE-PWSUYJOCSA-N 0 1 248.374 2.313 20 0 BEADMN CC(C)[C@H](CNC(=O)CN(C)C)c1ccccc1 ZINC000193552673 367191410 /nfs/dbraw/zinc/19/14/10/367191410.db2.gz KYXFEYKSPGVSTQ-AWEZNQCLSA-N 0 1 248.370 2.104 20 0 BEADMN CCCN(CC(=O)Nc1nccs1)C(C)C ZINC000580960073 367218253 /nfs/dbraw/zinc/21/82/53/367218253.db2.gz CJNQJVLOJJTNCA-UHFFFAOYSA-N 0 1 241.360 2.202 20 0 BEADMN Cc1nc(CN[C@H]2CCCSC2)[nH]c1C ZINC000581142502 367277427 /nfs/dbraw/zinc/27/74/27/367277427.db2.gz OGALOZCVPAGBMZ-JTQLQIEISA-N 0 1 225.361 2.012 20 0 BEADMN Cc1cnc(CN2CCC[C@H]([C@H](C)O)C2)s1 ZINC000581182310 367284913 /nfs/dbraw/zinc/28/49/13/367284913.db2.gz HYPVEOYXHSCCLQ-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]([C@@H](C)O)C2)s1 ZINC000581182308 367285871 /nfs/dbraw/zinc/28/58/71/367285871.db2.gz HYPVEOYXHSCCLQ-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CNCCOCC2CCC2)s1 ZINC000581231497 367300152 /nfs/dbraw/zinc/30/01/52/367300152.db2.gz IYEDBTGAQXGWIB-UHFFFAOYSA-N 0 1 240.372 2.358 20 0 BEADMN CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)[O-] ZINC000380797840 367305154 /nfs/dbraw/zinc/30/51/54/367305154.db2.gz QFCZIUBUXCFWRQ-ZETCQYMHSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000381548170 367428377 /nfs/dbraw/zinc/42/83/77/367428377.db2.gz FMSSNORFJUWFMI-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)[O-])o1 ZINC000381181190 367359969 /nfs/dbraw/zinc/35/99/69/367359969.db2.gz WLQRSIYFBPQNIT-JTQLQIEISA-N 0 1 223.272 2.200 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381550654 367428976 /nfs/dbraw/zinc/42/89/76/367428976.db2.gz UOGGKGNFDBNATK-VHSXEESVSA-N 0 1 247.285 2.218 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H]1CCCc2occc21 ZINC000381298000 367377010 /nfs/dbraw/zinc/37/70/10/367377010.db2.gz HFVMADOFVWHCBO-GMXVVIOVSA-N 0 1 221.300 2.424 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@H]1CCCC1(F)F ZINC000381618070 367438837 /nfs/dbraw/zinc/43/88/37/367438837.db2.gz QSYKNJWFQOINGX-OPRDCNLKSA-N 0 1 247.285 2.217 20 0 BEADMN CC1=CC[N@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000382533916 367534864 /nfs/dbraw/zinc/53/48/64/367534864.db2.gz LJNKJIAJFVPNJB-ZDUSSCGKSA-N 0 1 231.295 2.464 20 0 BEADMN CCC1(NCc2nnc(C)o2)CCCC1 ZINC000382545368 367535894 /nfs/dbraw/zinc/53/58/94/367535894.db2.gz FSDAPPQBEGPMNC-UHFFFAOYSA-N 0 1 209.293 2.190 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cccc(C)c1F ZINC000581528999 367551306 /nfs/dbraw/zinc/55/13/06/367551306.db2.gz VRPGHNGFHXDQLI-VXGBXAGGSA-N 0 1 223.291 2.401 20 0 BEADMN Cc1nc(C[N@H+](C)[C@H](C)C(C)(C)O)sc1C ZINC000382789160 367557860 /nfs/dbraw/zinc/55/78/60/367557860.db2.gz GRKLGRGMQBTSES-SNVBAGLBSA-N 0 1 242.388 2.351 20 0 BEADMN Cc1nc(CN(C)[C@H](C)C(C)(C)O)sc1C ZINC000382789160 367557865 /nfs/dbraw/zinc/55/78/65/367557865.db2.gz GRKLGRGMQBTSES-SNVBAGLBSA-N 0 1 242.388 2.351 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2CC2(F)F)n1 ZINC000581488803 367519395 /nfs/dbraw/zinc/51/93/95/367519395.db2.gz ZJEBEEADERJEJS-RNFRBKRXSA-N 0 1 231.246 2.238 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CC[C@@H](SC)C1 ZINC000382962698 367572874 /nfs/dbraw/zinc/57/28/74/367572874.db2.gz PCJKHEHGUNZNBN-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000581616752 367636052 /nfs/dbraw/zinc/63/60/52/367636052.db2.gz XHGPFHHRZGBKRC-IJLUTSLNSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1ccnc([C@@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000581615731 367636505 /nfs/dbraw/zinc/63/65/05/367636505.db2.gz RDLMBUYQOJPRQR-GFCCVEGCSA-N 0 1 242.326 2.103 20 0 BEADMN C[C@H]1CC[C@H](Nc2ccnc(N)n2)CC1 ZINC000252707076 367690186 /nfs/dbraw/zinc/69/01/86/367690186.db2.gz WAIMVWRRLWHOSF-KYZUINATSA-N 0 1 206.293 2.049 20 0 BEADMN Cc1nccc(N[C@@H](C)CC(C)(C)O)c1Cl ZINC000384887183 367750847 /nfs/dbraw/zinc/75/08/47/367750847.db2.gz JYPPIHNIURIAIV-QMMMGPOBSA-N 0 1 242.750 2.427 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1CCCCC(=O)[O-] ZINC000385240724 367812078 /nfs/dbraw/zinc/81/20/78/367812078.db2.gz ZPESMBONHLOFCT-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CCCc1cc(C(=O)N2CCC(C)(C)C2)n[nH]1 ZINC000081350930 370874274 /nfs/dbraw/zinc/87/42/74/370874274.db2.gz IQFCUMJWACAUTJ-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@H](NCCC(C)(C)CO)c1cscn1 ZINC000385871614 367872603 /nfs/dbraw/zinc/87/26/03/367872603.db2.gz JJQJBIHHJYPMDU-VIFPVBQESA-N 0 1 228.361 2.202 20 0 BEADMN CC[C@@H](CNC(C)(C)c1nccs1)OC ZINC000386291664 367945721 /nfs/dbraw/zinc/94/57/21/367945721.db2.gz PROWLHMVUBQLCK-VIFPVBQESA-N 0 1 228.361 2.393 20 0 BEADMN C[C@H](C[N@@H+](C)CC1Cc2ccccc2C1)C(=O)[O-] ZINC000581931185 367956880 /nfs/dbraw/zinc/95/68/80/367956880.db2.gz KYCGSAWLEQQRQN-LLVKDONJSA-N 0 1 247.338 2.054 20 0 BEADMN CC[C@H](N[C@H](C)c1csc(C)n1)[C@H](C)O ZINC000386687621 368010313 /nfs/dbraw/zinc/01/03/13/368010313.db2.gz JPKAWDMOINENKH-WEDXCCLWSA-N 0 1 228.361 2.262 20 0 BEADMN CC[C@@H](NCc1c(F)cccc1F)[C@@H](C)O ZINC000386785913 368021705 /nfs/dbraw/zinc/02/17/05/368021705.db2.gz NIMOQEMIJWJVTA-PRHODGIISA-N 0 1 229.270 2.214 20 0 BEADMN CC[C@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000566359354 326036582 /nfs/dbraw/zinc/03/65/82/326036582.db2.gz RJMXZWNPDDFPIF-DGCLKSJQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1CCCCC(=O)[O-] ZINC000566360015 326036964 /nfs/dbraw/zinc/03/69/64/326036964.db2.gz OPGMABSSJBJUMG-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)N(Cc1nncn1C)C1CCCCC1 ZINC000102768513 368234684 /nfs/dbraw/zinc/23/46/84/368234684.db2.gz WWQXRTAXCNPIAD-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000615695115 368209705 /nfs/dbraw/zinc/20/97/05/368209705.db2.gz VRZJNNOZMMPZOJ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000615695118 368209953 /nfs/dbraw/zinc/20/99/53/368209953.db2.gz VRZJNNOZMMPZOJ-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)N1CC(C)C1)C1CCC1 ZINC000566444821 326048668 /nfs/dbraw/zinc/04/86/68/326048668.db2.gz LGVSOEDDJQGEOF-GFCCVEGCSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@H](C)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000041874897 368295349 /nfs/dbraw/zinc/29/53/49/368295349.db2.gz HKQQVAHJBWCCRS-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C(=O)NCc2ccc3nc[nH]c3c2)CCC1 ZINC000615788638 368303704 /nfs/dbraw/zinc/30/37/04/368303704.db2.gz BNVYMTJLQWXKCG-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN CC(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043084645 368392645 /nfs/dbraw/zinc/39/26/45/368392645.db2.gz ISUSDFDOPOBVPV-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000079022209 368461308 /nfs/dbraw/zinc/46/13/08/368461308.db2.gz RTSICIKERUWAKJ-SNVBAGLBSA-N 0 1 201.310 2.074 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153762635 326111968 /nfs/dbraw/zinc/11/19/68/326111968.db2.gz NJNDBQFKPADXFZ-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN OCCN(Cc1nc2ccccc2o1)CC1CC1 ZINC000064516215 368608832 /nfs/dbraw/zinc/60/88/32/368608832.db2.gz XXKKUYUBLWSRGY-UHFFFAOYSA-N 0 1 246.310 2.032 20 0 BEADMN CCC(C)(C)NC(=O)CN1CCC(C)CC1 ZINC000066862627 368665019 /nfs/dbraw/zinc/66/50/19/368665019.db2.gz SEGWLFKYLGJKRT-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCc1cnc(CN(C)C[C@H](C)COC)s1 ZINC000154062466 326128366 /nfs/dbraw/zinc/12/83/66/326128366.db2.gz OWZQAPYJUKHXDX-JTQLQIEISA-N 0 1 242.388 2.420 20 0 BEADMN CCN(CC(=O)N[C@@H](C)CC(C)(C)C)C1CC1 ZINC000457213511 203020363 /nfs/dbraw/zinc/02/03/63/203020363.db2.gz HCSULTVWWBYKMB-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)[C@H]1CCCN1C ZINC000457243286 203026683 /nfs/dbraw/zinc/02/66/83/203026683.db2.gz GKSDOMLNPQJOSK-BZPMIXESSA-N 0 1 238.375 2.166 20 0 BEADMN CCCCN(CCOC)Cc1cnc(C)cn1 ZINC000068851554 368738725 /nfs/dbraw/zinc/73/87/25/368738725.db2.gz HLZQHFGVVBCBEB-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN COCCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457299293 203034583 /nfs/dbraw/zinc/03/45/83/203034583.db2.gz UGCVKDXAFJAYCK-UHFFFAOYSA-N 0 1 245.225 2.036 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCN1C ZINC000457205330 203019203 /nfs/dbraw/zinc/01/92/03/203019203.db2.gz BWJWNGWSTMMOSH-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000072621181 368775628 /nfs/dbraw/zinc/77/56/28/368775628.db2.gz PZLUUFWMRCEDDW-GFCCVEGCSA-N 0 1 234.343 2.032 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)sc1C ZINC000083411178 368773921 /nfs/dbraw/zinc/77/39/21/368773921.db2.gz WKBPHZAEWXBNAI-UHFFFAOYSA-N 0 1 227.329 2.271 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000086726626 368884081 /nfs/dbraw/zinc/88/40/81/368884081.db2.gz WSQVFLKJMOMCCV-GFCCVEGCSA-N 0 1 237.274 2.183 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1nc(C)c(C)s1 ZINC000087393091 368892411 /nfs/dbraw/zinc/89/24/11/368892411.db2.gz OKJUVCJYLSGSGX-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1scnc1C ZINC000084149568 368848977 /nfs/dbraw/zinc/84/89/77/368848977.db2.gz BUFWBDKJSFMJKK-MRVPVSSYSA-N 0 1 242.344 2.137 20 0 BEADMN C[N@@H+](Cc1ccccc1F)[C@H](C(=O)[O-])C1CC1 ZINC000088795813 368929102 /nfs/dbraw/zinc/92/91/02/368929102.db2.gz XIYCEUYZPKHIJJ-LBPRGKRZSA-N 0 1 237.274 2.121 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)C2(N(C)C)CC2)C1 ZINC000616106200 368955580 /nfs/dbraw/zinc/95/55/80/368955580.db2.gz SRDVVEPBKPHRMP-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[N@@H+](C[C@@H]1Cc2ccccc21)C(C)(C)C(=O)[O-] ZINC000090978124 369002994 /nfs/dbraw/zinc/00/29/94/369002994.db2.gz OQTGODQZHZYLID-NSHDSACASA-N 0 1 233.311 2.121 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1[C@@H](C)CCC1(C)C ZINC000616179039 369011709 /nfs/dbraw/zinc/01/17/09/369011709.db2.gz MIXAIYFGETYBTA-QWRGUYRKSA-N 0 1 249.358 2.378 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)C2(N(C)C)CC2)c1 ZINC000616151418 368986187 /nfs/dbraw/zinc/98/61/87/368986187.db2.gz SDGODDOTJQYSNS-LBPRGKRZSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCCC1CCC1 ZINC000618620756 369188150 /nfs/dbraw/zinc/18/81/50/369188150.db2.gz ZDRKWTPIQPSVNV-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN COCc1cc(CNCCC(C)(C)C)no1 ZINC000459379311 203271786 /nfs/dbraw/zinc/27/17/86/203271786.db2.gz ALUYNTYPCQIFSX-UHFFFAOYSA-N 0 1 226.320 2.347 20 0 BEADMN CC[C@H]1CN(C2CC(OC(C)C)C2)CCO1 ZINC000459313173 203255373 /nfs/dbraw/zinc/25/53/73/203255373.db2.gz PFIIZDGDBBACTK-CPCZMJQVSA-N 0 1 227.348 2.053 20 0 BEADMN CCOC(=O)CN(C)CC1CCC(F)(F)CC1 ZINC000459326449 203257401 /nfs/dbraw/zinc/25/74/01/203257401.db2.gz MPLGIXWLPNAAGL-UHFFFAOYSA-N 0 1 249.301 2.307 20 0 BEADMN COCc1cc(CN2C[C@H](C)CC[C@H]2C)no1 ZINC000459339334 203260532 /nfs/dbraw/zinc/26/05/32/203260532.db2.gz HUWPZNALYGIRNH-GHMZBOCLSA-N 0 1 238.331 2.441 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459358657 203267016 /nfs/dbraw/zinc/26/70/16/203267016.db2.gz NAVMVYHAHXKYPT-VHSXEESVSA-N 0 1 247.342 2.290 20 0 BEADMN Cc1cc(CNCCc2csc(C)n2)no1 ZINC000459357915 203268346 /nfs/dbraw/zinc/26/83/46/203268346.db2.gz APYVMNSXBYAVHN-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN COCc1cc(CN2C[C@H](C)C[C@H]2C)no1 ZINC000459385564 203270360 /nfs/dbraw/zinc/27/03/60/203270360.db2.gz YXDPUYIUYLEVDC-NXEZZACHSA-N 0 1 224.304 2.051 20 0 BEADMN Cc1cc(CNC[C@@H](C)c2nccs2)no1 ZINC000459482304 203289143 /nfs/dbraw/zinc/28/91/43/203289143.db2.gz LUFQUYKTCPFIIB-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN F[C@H]1CCN(CCOCC2CCCC2)C1 ZINC000459481762 203289164 /nfs/dbraw/zinc/28/91/64/203289164.db2.gz BHWARBAMDODDRN-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN CC(C)N(CCOCC1CCCC1)C1COC1 ZINC000459489082 203290331 /nfs/dbraw/zinc/29/03/31/203290331.db2.gz PZJKIOSIKOAUSC-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN COCc1cc(CN[C@H]2CC[C@H](C)C2)no1 ZINC000459523842 203295770 /nfs/dbraw/zinc/29/57/70/203295770.db2.gz VUYCNMZSXIYBFP-UWVGGRQHSA-N 0 1 224.304 2.099 20 0 BEADMN Cc1cc(CN[C@@H](CO)CCC(C)(C)C)no1 ZINC000459520185 203296791 /nfs/dbraw/zinc/29/67/91/203296791.db2.gz FTSAILGWLDMLHW-LLVKDONJSA-N 0 1 240.347 2.260 20 0 BEADMN COCCOC1CN(CC2CCCCCC2)C1 ZINC000459457518 203283061 /nfs/dbraw/zinc/28/30/61/203283061.db2.gz HBALSPCYBLHHNM-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN COC1CN(C[C@H](C)Cc2ccccc2)C1 ZINC000459583941 203307451 /nfs/dbraw/zinc/30/74/51/203307451.db2.gz PWRNEEMIGQWJQT-GFCCVEGCSA-N 0 1 219.328 2.196 20 0 BEADMN C[C@H](CC1CCOCC1)NCC(F)F ZINC000459551990 203299358 /nfs/dbraw/zinc/29/93/58/203299358.db2.gz YAZLHAXVEUMCHD-MRVPVSSYSA-N 0 1 207.264 2.046 20 0 BEADMN COC1(c2ccccc2)CN(C[C@H]2C[C@@H]2C)C1 ZINC000459549623 203299605 /nfs/dbraw/zinc/29/96/05/203299605.db2.gz FNABJLMTJWFMDP-QWHCGFSZSA-N 0 1 231.339 2.500 20 0 BEADMN CCOCC(C)(C)CNCc1cc(C)on1 ZINC000459566248 203302693 /nfs/dbraw/zinc/30/26/93/203302693.db2.gz HSJAEPFAHFSHEY-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN Cc1cc(CN2CC(CCO)C2)ccc1Cl ZINC000459585751 203304933 /nfs/dbraw/zinc/30/49/33/203304933.db2.gz BWCUXZGHJXRSLW-UHFFFAOYSA-N 0 1 239.746 2.463 20 0 BEADMN CCC(F)(F)CNCC(C)(C)COC ZINC000623679272 369378652 /nfs/dbraw/zinc/37/86/52/369378652.db2.gz PNJUNHQZQFTIEZ-UHFFFAOYSA-N 0 1 209.280 2.294 20 0 BEADMN FC(F)OC1CN(C[C@H]2CC=CCC2)C1 ZINC000459627567 203321875 /nfs/dbraw/zinc/32/18/75/203321875.db2.gz LGVKMXXELRYZJD-VIFPVBQESA-N 0 1 217.259 2.266 20 0 BEADMN COCc1cccc(CN2CC(C)(COC)C2)c1 ZINC000459623041 203322156 /nfs/dbraw/zinc/32/21/56/203322156.db2.gz OWMZZALHISHEFH-UHFFFAOYSA-N 0 1 249.354 2.301 20 0 BEADMN COCC1(C)CN(Cc2ccc(C)c(OC)c2)C1 ZINC000459623126 203322564 /nfs/dbraw/zinc/32/25/64/203322564.db2.gz PWNCPSIWHNLBEN-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN OCCCN(Cc1cccc(F)c1F)C1CC1 ZINC000404224037 369423804 /nfs/dbraw/zinc/42/38/04/369423804.db2.gz OHJWURYOIFUYCV-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN Cc1csc(CN[C@H]2C[C@@H](OC(C)C)C2)n1 ZINC000459636496 203326179 /nfs/dbraw/zinc/32/61/79/203326179.db2.gz QZJMFVPEOJXZDL-PHIMTYICSA-N 0 1 240.372 2.497 20 0 BEADMN COCC1(O)CN(CCCC2CCCCC2)C1 ZINC000459643081 203329108 /nfs/dbraw/zinc/32/91/08/203329108.db2.gz UGTABBKCOYUMLL-UHFFFAOYSA-N 0 1 241.375 2.040 20 0 BEADMN CCC(CC)CN1CC(NC(=O)C2CCC2)C1 ZINC000459644348 203329359 /nfs/dbraw/zinc/32/93/59/203329359.db2.gz ZSDAUAHCOFMRNL-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccccc1 ZINC000153805208 369441684 /nfs/dbraw/zinc/44/16/84/369441684.db2.gz OFUJTMDLDQADMO-AWEZNQCLSA-N 0 1 246.354 2.099 20 0 BEADMN COC(=O)[C@H](C)[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000405034036 369443349 /nfs/dbraw/zinc/44/33/49/369443349.db2.gz QFJHRXTWTWSRSB-NEPJUHHUSA-N 0 1 247.338 2.210 20 0 BEADMN COC(=O)[C@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC000405034036 369443352 /nfs/dbraw/zinc/44/33/52/369443352.db2.gz QFJHRXTWTWSRSB-NEPJUHHUSA-N 0 1 247.338 2.210 20 0 BEADMN Cc1ncccc1CN[C@H](CO)c1ccccc1 ZINC000304213714 369461193 /nfs/dbraw/zinc/46/11/93/369461193.db2.gz FVUJZVKSGRSVDY-OAHLLOKOSA-N 0 1 242.322 2.213 20 0 BEADMN CCc1ncc(CN[C@@H](C)[C@@H]2CCCCO2)o1 ZINC000623996127 370956711 /nfs/dbraw/zinc/95/67/11/370956711.db2.gz URVUFVNVMUTBEM-JQWIXIFHSA-N 0 1 238.331 2.284 20 0 BEADMN c1cnc(CNC2(C3CCC3)CCC2)nc1 ZINC000459747125 203353969 /nfs/dbraw/zinc/35/39/69/203353969.db2.gz CRNYLQBGRJYWCI-UHFFFAOYSA-N 0 1 217.316 2.289 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459792940 203370518 /nfs/dbraw/zinc/37/05/18/203370518.db2.gz UYKMLHZDHRCFOJ-WOPDTQHZSA-N 0 1 217.316 2.063 20 0 BEADMN Cc1noc(C)c1CC[N@H+](C)C1CCC1 ZINC000166110415 203387718 /nfs/dbraw/zinc/38/77/18/203387718.db2.gz MVJLESFKVXQCET-UHFFFAOYSA-N 0 1 208.305 2.318 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000620041805 369684686 /nfs/dbraw/zinc/68/46/86/369684686.db2.gz NKECNPHGOWMXLL-QWHCGFSZSA-N 0 1 238.375 2.022 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H](C2CCC2)C1 ZINC000620209788 369768644 /nfs/dbraw/zinc/76/86/44/369768644.db2.gz MMFCSKHNXUMMRG-LLVKDONJSA-N 0 1 233.315 2.062 20 0 BEADMN c1ccc2oc(CN3CCCC3)nc2c1 ZINC000061757037 369844350 /nfs/dbraw/zinc/84/43/50/369844350.db2.gz SKGIYYBUIDCCKJ-UHFFFAOYSA-N 0 1 202.257 2.424 20 0 BEADMN CCCn1nccc1CNCc1cccnc1C ZINC000623703487 369869941 /nfs/dbraw/zinc/86/99/41/369869941.db2.gz PADYXPIJKUXOHS-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN O=C(c1cnc[nH]1)N(CCC1CC1)CC1CC1 ZINC000620630377 369968990 /nfs/dbraw/zinc/96/89/90/369968990.db2.gz ZXFHLOOXFXTCEF-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H](C(=O)N1Cc2ccccc2[C@H]1C)N(C)C ZINC000620879104 370033220 /nfs/dbraw/zinc/03/32/20/370033220.db2.gz LZLKVRZKUBLSJD-MNOVXSKESA-N 0 1 232.327 2.040 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000620902821 370050808 /nfs/dbraw/zinc/05/08/08/370050808.db2.gz CDTDZHHPUNYHPI-CBAPKCEASA-N 0 1 215.256 2.157 20 0 BEADMN CCc1noc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000075769208 370170784 /nfs/dbraw/zinc/17/07/84/370170784.db2.gz JXOJUHVFMLEYDO-MNOVXSKESA-N 0 1 235.331 2.397 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N(C)C ZINC000621207247 370148862 /nfs/dbraw/zinc/14/88/62/370148862.db2.gz QUCKRPRHIOLAAK-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN CC12CC(C1)CN2C(=O)c1cccc2c[nH]nc21 ZINC000621210723 370152159 /nfs/dbraw/zinc/15/21/59/370152159.db2.gz CQLYFWCZQIDUDJ-UHFFFAOYSA-N 0 1 241.294 2.187 20 0 BEADMN CC(C)c1cc(C(=O)N2CC3CC2(C)C3)n[nH]1 ZINC000621211981 370153561 /nfs/dbraw/zinc/15/35/61/370153561.db2.gz ZQEZOAFETLFINF-UHFFFAOYSA-N 0 1 233.315 2.158 20 0 BEADMN OCC[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621282074 370213664 /nfs/dbraw/zinc/21/36/64/370213664.db2.gz RUZMLLWQRBWDPA-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CCN(CC(=O)N(C)C)[C@H](C)c1ccccc1C ZINC000621300870 370230865 /nfs/dbraw/zinc/23/08/65/370230865.db2.gz RTGNAZPTWVNMRA-CYBMUJFWSA-N 0 1 248.370 2.466 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621321752 370249456 /nfs/dbraw/zinc/24/94/56/370249456.db2.gz XYJOQOQVQBHSBE-JOYOIKCWSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H]1OCC[C@H]1CSc1nc(C2CC2)n[nH]1 ZINC000631008390 370207951 /nfs/dbraw/zinc/20/79/51/370207951.db2.gz YSVHUVGZYIZYCP-APPZFPTMSA-N 0 1 239.344 2.199 20 0 BEADMN C[C@H]1OCC[C@H]1CSc1n[nH]c(C2CC2)n1 ZINC000631008390 370207955 /nfs/dbraw/zinc/20/79/55/370207955.db2.gz YSVHUVGZYIZYCP-APPZFPTMSA-N 0 1 239.344 2.199 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ccc(C(=O)[O-])cn1 ZINC000310522328 370350335 /nfs/dbraw/zinc/35/03/35/370350335.db2.gz XAOALNVWUBLNFV-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN CSCC(=O)Nc1cccc(Cl)c1O ZINC000077012099 370376232 /nfs/dbraw/zinc/37/62/32/370376232.db2.gz FZCAOGAZEZVQMI-UHFFFAOYSA-N 0 1 231.704 2.347 20 0 BEADMN COc1nc(C)cc(C)c1CN(C)CCCF ZINC000621391619 370333161 /nfs/dbraw/zinc/33/31/61/370333161.db2.gz MRNQQFUSSDVRKR-UHFFFAOYSA-N 0 1 240.322 2.498 20 0 BEADMN CC(C)CCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000568241651 326333109 /nfs/dbraw/zinc/33/31/09/326333109.db2.gz VFNWDHLXLGUQBE-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@@H](C(=O)N1CCNC[C@@H]1C)C(C)C ZINC000621621005 370405738 /nfs/dbraw/zinc/40/57/38/370405738.db2.gz OXMKUKADYRCAHC-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC[C@@H](C(=O)N1CCN[C@H](C)C1)C(C)C ZINC000621622948 370408011 /nfs/dbraw/zinc/40/80/11/370408011.db2.gz RJVASAWOYHVDPI-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000621714460 370460569 /nfs/dbraw/zinc/46/05/69/370460569.db2.gz OOQKTLCXBHBLKS-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN c1nn2c(c1CN1CC(CC3CC3)C1)CCC2 ZINC000621740397 370499596 /nfs/dbraw/zinc/49/95/96/370499596.db2.gz OGIORIQGVALVSE-UHFFFAOYSA-N 0 1 231.343 2.061 20 0 BEADMN CCc1nocc1CN1CC(CC2CC2)C1 ZINC000621740508 370499891 /nfs/dbraw/zinc/49/98/91/370499891.db2.gz UHHPEQXQPDVCQU-UHFFFAOYSA-N 0 1 220.316 2.469 20 0 BEADMN CCCCCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000078775103 370599560 /nfs/dbraw/zinc/59/95/60/370599560.db2.gz FHCZLRXZBHIXJW-UHFFFAOYSA-N 0 1 249.358 2.451 20 0 BEADMN CC(C)(C(=O)N[C@@H]1CC12CCCC2)c1cnc[nH]1 ZINC000621973534 370630106 /nfs/dbraw/zinc/63/01/06/370630106.db2.gz OZZKCOMBOBWYRX-SNVBAGLBSA-N 0 1 247.342 2.136 20 0 BEADMN OCCN(Cc1ccoc1)Cc1ccccc1 ZINC000124024497 371132318 /nfs/dbraw/zinc/13/23/18/371132318.db2.gz MYWFDOPJSJFFBX-UHFFFAOYSA-N 0 1 231.295 2.274 20 0 BEADMN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CCCOC1 ZINC000623889144 371141615 /nfs/dbraw/zinc/14/16/15/371141615.db2.gz FKWBBWJQBFPRLG-ZJUUUORDSA-N 0 1 238.356 2.289 20 0 BEADMN CC(C)[C@H](O)CN[C@@H]1CCCc2scnc21 ZINC000623895574 371144503 /nfs/dbraw/zinc/14/45/03/371144503.db2.gz VJILPVPDZNIIJM-NXEZZACHSA-N 0 1 240.372 2.127 20 0 BEADMN CC(C)(CO)CN[C@H]1CCCc2scnc21 ZINC000623922230 371156726 /nfs/dbraw/zinc/15/67/26/371156726.db2.gz UKNICGAPTCXKPY-VIFPVBQESA-N 0 1 240.372 2.129 20 0 BEADMN CC[N@@H+](Cc1ccc(C)cc1)[C@@H](C)C(=O)[O-] ZINC000390116047 371187680 /nfs/dbraw/zinc/18/76/80/371187680.db2.gz CKYNEUOWQMZKNU-NSHDSACASA-N 0 1 221.300 2.290 20 0 BEADMN C[C@H](C[C@H](C)O)N[C@H]1CCCc2scnc21 ZINC000623958209 371195663 /nfs/dbraw/zinc/19/56/63/371195663.db2.gz FUNZREMHBYYDMB-UTLUCORTSA-N 0 1 240.372 2.270 20 0 BEADMN CC[C@H](N[C@H]1CCCc2scnc21)[C@@H](C)O ZINC000623994987 371229779 /nfs/dbraw/zinc/22/97/79/371229779.db2.gz JTEKIBLFMCHGHD-UTLUCORTSA-N 0 1 240.372 2.270 20 0 BEADMN CCC[C@H](CN[C@H](C)c1nccn1C)OCC ZINC000624049395 371275056 /nfs/dbraw/zinc/27/50/56/371275056.db2.gz GOGWYLJFZLPCKO-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1ccn(C)n1)OCC ZINC000624050659 371276498 /nfs/dbraw/zinc/27/64/98/371276498.db2.gz FGPUDLALZALRRU-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CCO[C@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000156068439 371353102 /nfs/dbraw/zinc/35/31/02/371353102.db2.gz AVOOTNIUGPTFHT-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CCO[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000156068439 371353106 /nfs/dbraw/zinc/35/31/06/371353106.db2.gz AVOOTNIUGPTFHT-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CCC(F)(F)CN[C@@H](C)[C@@H]1CCOC1 ZINC000624148103 371343588 /nfs/dbraw/zinc/34/35/88/371343588.db2.gz VLXMQHSAAJLNMM-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CCC(F)(F)CN[C@@H](C)CCCCO ZINC000624148707 371345966 /nfs/dbraw/zinc/34/59/66/371345966.db2.gz LRWXSYSGYAAVBR-VIFPVBQESA-N 0 1 209.280 2.172 20 0 BEADMN CCOCc1ccc(CNCc2cn[nH]c2)cc1 ZINC000624213335 371400090 /nfs/dbraw/zinc/40/00/90/371400090.db2.gz WSVYBFLAJYJCPX-UHFFFAOYSA-N 0 1 245.326 2.236 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000624258327 371444824 /nfs/dbraw/zinc/44/48/24/371444824.db2.gz GWGCBKRGLAIGAP-LLVKDONJSA-N 0 1 243.310 2.341 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000393291122 371506573 /nfs/dbraw/zinc/50/65/73/371506573.db2.gz LWULEJWUEDUKES-IQJOONFLSA-N 0 1 239.750 2.352 20 0 BEADMN N#Cc1cc(F)c(C(=O)Nc2cnoc2)c(F)c1 ZINC000394158408 371547463 /nfs/dbraw/zinc/54/74/63/371547463.db2.gz PPVUKMQSOXUUIN-UHFFFAOYSA-N 0 1 249.176 2.077 20 0 BEADMN CO[C@@H](CNCc1cc(C)no1)C(C)(C)C ZINC000631081645 371553543 /nfs/dbraw/zinc/55/35/43/371553543.db2.gz UIHINADCSQHWGJ-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN C[C@@H]1CCC[C@H]1CC(=O)N1CCc2nc[nH]c2C1 ZINC000627369735 371587412 /nfs/dbraw/zinc/58/74/12/371587412.db2.gz BKGHDRCUANAILV-MNOVXSKESA-N 0 1 247.342 2.121 20 0 BEADMN O=C(C[C@H]1C=CCCC1)N1CCc2nc[nH]c2C1 ZINC000627371158 371588448 /nfs/dbraw/zinc/58/84/48/371588448.db2.gz WSBHJPNUGFDQBX-NSHDSACASA-N 0 1 245.326 2.041 20 0 BEADMN CC1(C)CCC[C@@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627370988 371588755 /nfs/dbraw/zinc/58/87/55/371588755.db2.gz SDGIRZLVHVKFJU-SNVBAGLBSA-N 0 1 247.342 2.121 20 0 BEADMN C[C@H]1CC=C(C(=O)N2CCc3nc[nH]c3C2)CC1 ZINC000627373158 371591668 /nfs/dbraw/zinc/59/16/68/371591668.db2.gz JFVZODXKRDQKKE-JTQLQIEISA-N 0 1 245.326 2.041 20 0 BEADMN Cc1ccoc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000304359598 371783727 /nfs/dbraw/zinc/78/37/27/371783727.db2.gz HVIAGZIGJPHYFA-WDEREUQCSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@@](CO)(NCc1cccnc1)c1ccccc1 ZINC000227211891 371802699 /nfs/dbraw/zinc/80/26/99/371802699.db2.gz HNJGLUODMKXTLJ-HNNXBMFYSA-N 0 1 242.322 2.079 20 0 BEADMN CC(C)(C)C[C@H](O)CNCc1nccs1 ZINC000227372533 371849364 /nfs/dbraw/zinc/84/93/64/371849364.db2.gz GPBAOXXBGIRLKQ-VIFPVBQESA-N 0 1 228.361 2.030 20 0 BEADMN CCCCC(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627799324 371993366 /nfs/dbraw/zinc/99/33/66/371993366.db2.gz XBGFIYFMQOQNRE-UHFFFAOYSA-N 0 1 247.298 2.047 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(C)cc1F ZINC000631177105 372217345 /nfs/dbraw/zinc/21/73/45/372217345.db2.gz KWXSOUOYZIBHJK-OLZOCXBDSA-N 0 1 223.291 2.401 20 0 BEADMN CC(C)(C)n1cc(CN[C@]23C[C@H]2CCCC3)nn1 ZINC000631225454 372248050 /nfs/dbraw/zinc/24/80/50/372248050.db2.gz IRWYMARQXAUXKU-BXUZGUMPSA-N 0 1 248.374 2.455 20 0 BEADMN Cc1ncc([C@@H](C)NCc2cn[nH]c2)s1 ZINC000631227855 372250502 /nfs/dbraw/zinc/25/05/02/372250502.db2.gz MAAIFLIVBLKYFR-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN c1c(CN[C@]23C[C@H]2CCCC3)nnn1C1CCC1 ZINC000631228515 372250579 /nfs/dbraw/zinc/25/05/79/372250579.db2.gz ZCCYTBHUCDJCNT-BXUZGUMPSA-N 0 1 246.358 2.425 20 0 BEADMN Cc1ccncc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631259730 372265976 /nfs/dbraw/zinc/26/59/76/372265976.db2.gz CCYHDBQVFRDDBF-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN C[C@@H](CC1CCC1)Nc1ncnc2[nH]cnc21 ZINC000631517353 372405182 /nfs/dbraw/zinc/40/51/82/372405182.db2.gz CCTGIHZXYCOOBT-QMMMGPOBSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cn[nH]c1 ZINC000631753762 372555219 /nfs/dbraw/zinc/55/52/19/372555219.db2.gz SSOGMFZRLPGCKV-LPBLVHEISA-N 0 1 219.210 2.011 20 0 BEADMN CCCCCN1CCN(CC(F)(F)F)CC1 ZINC000172174427 372897745 /nfs/dbraw/zinc/89/77/45/372897745.db2.gz LRMSDZMZSXNFHK-UHFFFAOYSA-N 0 1 238.297 2.357 20 0 BEADMN O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268913008 182014314 /nfs/dbraw/zinc/01/43/14/182014314.db2.gz BGPRKMVWNPAKHR-ZYHUDNBSSA-N 0 1 245.326 2.260 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1[nH]nc2c1CCCC2 ZINC000172393999 372962314 /nfs/dbraw/zinc/96/23/14/372962314.db2.gz SDQHDVREPGVFRZ-SNVBAGLBSA-N 0 1 245.326 2.127 20 0 BEADMN O=C(NC1CCC1)c1c[nH]c2ccccc2c1=O ZINC000264549757 182107780 /nfs/dbraw/zinc/10/77/80/182107780.db2.gz RQZZBFFDUNELRJ-UHFFFAOYSA-N 0 1 242.278 2.223 20 0 BEADMN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000035206472 168854923 /nfs/dbraw/zinc/85/49/23/168854923.db2.gz KTWWIRKJGCQJFZ-NWDGAFQWSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@@H](C)C2)o1 ZINC000041363022 374136340 /nfs/dbraw/zinc/13/63/40/374136340.db2.gz IOUMYIUIIOXWMA-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1nnc(CN(CC(C)C)C(C)C)o1 ZINC000192849613 205963024 /nfs/dbraw/zinc/96/30/24/205963024.db2.gz YOJOTIORAKETNM-UHFFFAOYSA-N 0 1 211.309 2.244 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000634343626 374187984 /nfs/dbraw/zinc/18/79/84/374187984.db2.gz FIZQAVLAWHFUTN-GFCCVEGCSA-N 0 1 246.354 2.266 20 0 BEADMN O=C(NCc1ccco1)c1ccc(F)cc1O ZINC000123172631 182263513 /nfs/dbraw/zinc/26/35/13/182263513.db2.gz MQZFFXOCHDTVTI-UHFFFAOYSA-N 0 1 235.214 2.054 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H](C2CCC2)CC1 ZINC000634521323 374287947 /nfs/dbraw/zinc/28/79/47/374287947.db2.gz IZBDSIVLSLEGLZ-GFCCVEGCSA-N 0 1 247.342 2.452 20 0 BEADMN C[C@@H](O)CCCOc1ccccc1-c1nnc[nH]1 ZINC000418917950 206023081 /nfs/dbraw/zinc/02/30/81/206023081.db2.gz ITQBZVRAHIGFSK-SNVBAGLBSA-N 0 1 247.298 2.012 20 0 BEADMN C[C@H](O)CCCOc1ccccc1-c1nnc[nH]1 ZINC000418917949 206023151 /nfs/dbraw/zinc/02/31/51/206023151.db2.gz ITQBZVRAHIGFSK-JTQLQIEISA-N 0 1 247.298 2.012 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000177363775 182291004 /nfs/dbraw/zinc/29/10/04/182291004.db2.gz WMGFPTDRBLASMA-MNOVXSKESA-N 0 1 245.326 2.055 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@@H]2CC2(C)C)[nH]1 ZINC000426577935 206053258 /nfs/dbraw/zinc/05/32/58/206053258.db2.gz FRSDQZXOERHUON-LLVKDONJSA-N 0 1 236.315 2.032 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)CC[C@H](C)O ZINC000428240402 206056317 /nfs/dbraw/zinc/05/63/17/206056317.db2.gz PJFCRIQFPIEBAZ-JTQLQIEISA-N 0 1 240.347 2.309 20 0 BEADMN CCCc1nc(C)c(CN(C)CC[C@@H](C)O)o1 ZINC000428242675 206059988 /nfs/dbraw/zinc/05/99/88/206059988.db2.gz WDFYSRMJQAILSZ-SNVBAGLBSA-N 0 1 240.347 2.138 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CC=CCC1 ZINC000268964308 182300634 /nfs/dbraw/zinc/30/06/34/182300634.db2.gz KHWMACZOZNJVQQ-ZYHUDNBSSA-N 0 1 245.326 2.260 20 0 BEADMN CCO[C@@H](CNCc1cc[nH]n1)c1ccccc1 ZINC000194463902 206089658 /nfs/dbraw/zinc/08/96/58/206089658.db2.gz URMRBBJQQAGYBO-AWEZNQCLSA-N 0 1 245.326 2.277 20 0 BEADMN CC[C@H](F)CN1CCC(c2cc[nH]n2)CC1 ZINC000440701675 206080117 /nfs/dbraw/zinc/08/01/17/206080117.db2.gz JJIWCOBYEPJOBR-NSHDSACASA-N 0 1 225.311 2.337 20 0 BEADMN C[C@H](CC(N)=O)Nc1ccnc2cc(F)ccc21 ZINC000441803994 206082482 /nfs/dbraw/zinc/08/24/82/206082482.db2.gz SBLJEYYWMLIFLJ-MRVPVSSYSA-N 0 1 247.273 2.050 20 0 BEADMN FC1(F)CC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000450448661 206103483 /nfs/dbraw/zinc/10/34/83/206103483.db2.gz CCGFJSGPUXPAFS-GARJFASQSA-N 0 1 231.286 2.285 20 0 BEADMN CC[C@@H](CSC)NCc1cc(C)on1 ZINC000459468383 206128425 /nfs/dbraw/zinc/12/84/25/206128425.db2.gz RLANNDFPVFNTIH-VIFPVBQESA-N 0 1 214.334 2.214 20 0 BEADMN COCc1cc(CN[C@H]2CC[C@H](C)CC2)no1 ZINC000459426601 206125940 /nfs/dbraw/zinc/12/59/40/206125940.db2.gz MKIMBIJPKSTLSX-XYPYZODXSA-N 0 1 238.331 2.489 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc2ocnc21 ZINC001643406486 1172460310 /nfs/dbraw/zinc/46/03/10/1172460310.db2.gz KNWZWJNFSCZQCB-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COC1(C)CN(C[C@@H](C)CC2CCOCC2)C1 ZINC000459578542 206135276 /nfs/dbraw/zinc/13/52/76/206135276.db2.gz HSGPLEVUHNCHKE-LBPRGKRZSA-N 0 1 241.375 2.160 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C1CCC1 ZINC000074819886 182362658 /nfs/dbraw/zinc/36/26/58/182362658.db2.gz XEICTGPBZPXSHZ-UHFFFAOYSA-N 0 1 215.256 2.302 20 0 BEADMN O=C(Nc1ccccc1)c1ncccc1O ZINC000033816971 182378598 /nfs/dbraw/zinc/37/85/98/182378598.db2.gz YOSUDLTVIDUOSG-UHFFFAOYSA-N 0 1 214.224 2.040 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001643704713 1172490071 /nfs/dbraw/zinc/49/00/71/1172490071.db2.gz UCQCQNRHXXGNSI-GHMZBOCLSA-N 0 1 248.374 2.477 20 0 BEADMN OCCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000367511571 183046462 /nfs/dbraw/zinc/04/64/62/183046462.db2.gz BCMNXEGLHNDAEF-ZDUSSCGKSA-N 0 1 237.347 2.099 20 0 BEADMN OCC1(NCc2cc(F)c(F)cc2F)CCC1 ZINC000178638788 183037608 /nfs/dbraw/zinc/03/76/08/183037608.db2.gz MRJKNXZLVSMJMD-UHFFFAOYSA-N 0 1 245.244 2.109 20 0 BEADMN OCC1(NCc2ccsc2Cl)CC1 ZINC000336648332 183039015 /nfs/dbraw/zinc/03/90/15/183039015.db2.gz GHJYUKMMZSYQMH-UHFFFAOYSA-N 0 1 217.721 2.016 20 0 BEADMN OCCC[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000077466838 183062999 /nfs/dbraw/zinc/06/29/99/183062999.db2.gz RBWVQLYPYDXANC-AWEZNQCLSA-N 0 1 245.326 2.013 20 0 BEADMN OC[C@H](CC1CCCC1)NCc1cscn1 ZINC000309517545 183137773 /nfs/dbraw/zinc/13/77/73/183137773.db2.gz AJNPZXOXSJVRFC-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN OC[C@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000127950341 183148202 /nfs/dbraw/zinc/14/82/02/183148202.db2.gz RONHVXPHTYRUPR-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000000210204 183150425 /nfs/dbraw/zinc/15/04/25/183150425.db2.gz LTSMLZOXRSMJSS-NSHDSACASA-N 0 1 241.281 2.169 20 0 BEADMN OC[C@H]1CCCN1Cc1nc2ccccc2s1 ZINC000050116812 183152674 /nfs/dbraw/zinc/15/26/74/183152674.db2.gz SOQNDZOFGCZKPZ-SNVBAGLBSA-N 0 1 248.351 2.253 20 0 BEADMN OC[C@]1(F)CCN(CCCc2ccsc2)C1 ZINC000338591873 183157889 /nfs/dbraw/zinc/15/78/89/183157889.db2.gz DFFFQZCKBHRZMN-LBPRGKRZSA-N 0 1 243.347 2.087 20 0 BEADMN O[C@@H](CCSc1cn[nH]n1)c1ccccc1 ZINC000287459534 183174188 /nfs/dbraw/zinc/17/41/88/183174188.db2.gz HCMLGWSODWGNLA-JTQLQIEISA-N 0 1 235.312 2.021 20 0 BEADMN O[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000336468072 183198161 /nfs/dbraw/zinc/19/81/61/183198161.db2.gz AMRHLGFXHBHRFO-YYRQZUAOSA-N 0 1 239.265 2.045 20 0 BEADMN O[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000279716551 183199073 /nfs/dbraw/zinc/19/90/73/183199073.db2.gz LTMGCVOYVILPJB-LLVKDONJSA-N 0 1 227.254 2.191 20 0 BEADMN O[C@@H]1CCN(Cc2cscn2)C12CCCC2 ZINC000292763822 183201120 /nfs/dbraw/zinc/20/11/20/183201120.db2.gz OPOZDGLRBWRJAM-LLVKDONJSA-N 0 1 238.356 2.023 20 0 BEADMN O[C@@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000293003103 183193906 /nfs/dbraw/zinc/19/39/06/183193906.db2.gz CZLRAJJISJDVTJ-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@H](CN1CC2(CCC2)[C@H]1C1CC1)C(F)(F)F ZINC000357447530 183220693 /nfs/dbraw/zinc/22/06/93/183220693.db2.gz DGHQTZRLEPSJNT-NXEZZACHSA-N 0 1 249.276 2.174 20 0 BEADMN CCCN(C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000069092467 169085486 /nfs/dbraw/zinc/08/54/86/169085486.db2.gz VRHNRHLQOXVNJH-AWEZNQCLSA-N 0 1 246.354 2.348 20 0 BEADMN CCCN(CC(=O)N(C)CC)Cc1ccccc1 ZINC000298476932 169092390 /nfs/dbraw/zinc/09/23/90/169092390.db2.gz RYWOHOKCDWRHLZ-UHFFFAOYSA-N 0 1 248.370 2.377 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459120 169098463 /nfs/dbraw/zinc/09/84/63/169098463.db2.gz OGVGBJPSYBNNGA-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1F ZINC000233005537 169098554 /nfs/dbraw/zinc/09/85/54/169098554.db2.gz OQXCIZWDVNMNNW-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1 ZINC000032013854 169098712 /nfs/dbraw/zinc/09/87/12/169098712.db2.gz PSUCWBDXZHVFPE-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1C ZINC000097850414 169099588 /nfs/dbraw/zinc/09/95/88/169099588.db2.gz OCPUGNRBWSQGRI-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CCCN(CC(N)=O)Cc1cc(C)ccc1C ZINC000339712155 169109918 /nfs/dbraw/zinc/10/99/18/169109918.db2.gz UOOJJADEGJQMME-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN CCCN(CC(N)=O)Cc1cccc(C)c1C ZINC000339712148 169109951 /nfs/dbraw/zinc/10/99/51/169109951.db2.gz ULNPGFQXBXSCAM-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN O[C@H]1C[C@@H](N[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333242954 183248596 /nfs/dbraw/zinc/24/85/96/183248596.db2.gz QKYYYGBXZMYIOA-XQQFMLRXSA-N 0 1 249.358 2.144 20 0 BEADMN O[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000308445534 183234535 /nfs/dbraw/zinc/23/45/35/183234535.db2.gz HKXAKKOMOUFFAG-ZDUSSCGKSA-N 0 1 239.746 2.339 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@H](N)c1ccccc1 ZINC000036200181 169136315 /nfs/dbraw/zinc/13/63/15/169136315.db2.gz VKPWGBFREZNGIZ-CQSZACIVSA-N 0 1 246.354 2.335 20 0 BEADMN Oc1cc(F)cc(CN2CCCSCC2)c1 ZINC000274466962 183257914 /nfs/dbraw/zinc/25/79/14/183257914.db2.gz IYDRZBUIWBUIRQ-UHFFFAOYSA-N 0 1 241.331 2.470 20 0 BEADMN CCCN(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC000299689869 169177213 /nfs/dbraw/zinc/17/72/13/169177213.db2.gz YNZWWNBHFHINCE-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN Oc1cccc(CNCc2cccnc2)c1 ZINC000004678100 183291004 /nfs/dbraw/zinc/29/10/04/183291004.db2.gz CQKWYUXFNDXBNS-UHFFFAOYSA-N 0 1 214.268 2.077 20 0 BEADMN [O-]c1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1Cl ZINC000293719280 183292178 /nfs/dbraw/zinc/29/21/78/183292178.db2.gz YJCQRJGBWWMUFG-NXEZZACHSA-N 0 1 241.718 2.049 20 0 BEADMN c1nc(NC[C@@H]2CCCOC2)cc2c1CCCC2 ZINC000361252277 183320201 /nfs/dbraw/zinc/32/02/01/183320201.db2.gz OMTZUVQXEPMXFT-LBPRGKRZSA-N 0 1 246.354 2.221 20 0 BEADMN c1c[nH]c(CNCCOC2CCCCCC2)n1 ZINC000118454096 183324629 /nfs/dbraw/zinc/32/46/29/183324629.db2.gz WYRVCRHKJWYQSO-UHFFFAOYSA-N 0 1 237.347 2.239 20 0 BEADMN CCCN1CCCN(Cc2ccccc2)CC1=O ZINC000189204156 169192281 /nfs/dbraw/zinc/19/22/81/169192281.db2.gz YKYYUAJHWUIDSM-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC000124124135 169196243 /nfs/dbraw/zinc/19/62/43/169196243.db2.gz CGUXEXOMLXSSMN-GFCCVEGCSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(C)n1 ZINC000124301805 169197362 /nfs/dbraw/zinc/19/73/62/169197362.db2.gz GRHJRQUOLVSVOM-GFCCVEGCSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC000352436043 169201879 /nfs/dbraw/zinc/20/18/79/169201879.db2.gz XUIMHGZWWJLHNA-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CCCN1CCN(C(=O)CC(C)(C)CC)CC1 ZINC000362599865 169201883 /nfs/dbraw/zinc/20/18/83/169201883.db2.gz KHAVTYZJSBPKTO-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCCNC(=O)CNCc1cc2ccccc2o1 ZINC000035135843 169227135 /nfs/dbraw/zinc/22/71/35/169227135.db2.gz AZQNKAZBIYPPAS-UHFFFAOYSA-N 0 1 246.310 2.049 20 0 BEADMN CCCNC(=O)CN[C@@H](C)c1csc(C)c1 ZINC000294106324 169227651 /nfs/dbraw/zinc/22/76/51/169227651.db2.gz CMEHISKINSAAES-JTQLQIEISA-N 0 1 240.372 2.233 20 0 BEADMN c1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)n[nH]1 ZINC000377834373 183341501 /nfs/dbraw/zinc/34/15/01/183341501.db2.gz LCGOYSWKEITMFY-CHWSQXEVSA-N 0 1 249.358 2.048 20 0 BEADMN CCCNC(=O)CN[C@H](CCC)c1cccnc1 ZINC000184881634 169228935 /nfs/dbraw/zinc/22/89/35/169228935.db2.gz GQDVAVYNCPOEBD-CYBMUJFWSA-N 0 1 249.358 2.039 20 0 BEADMN c1cc2c(cccc2CN2CCOCC2)[nH]1 ZINC000154514678 183343953 /nfs/dbraw/zinc/34/39/53/183343953.db2.gz INEXYJYYTBIHBW-UHFFFAOYSA-N 0 1 216.284 2.000 20 0 BEADMN c1cc(CN2CCSC[C@@H]2C2CC2)on1 ZINC000336307536 183346232 /nfs/dbraw/zinc/34/62/32/183346232.db2.gz QDSHZUHBIPKCBI-LLVKDONJSA-N 0 1 224.329 2.002 20 0 BEADMN CCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594009 169208733 /nfs/dbraw/zinc/20/87/33/169208733.db2.gz IAQCIVIGYDTPGM-GFCCVEGCSA-N 0 1 219.284 2.080 20 0 BEADMN CCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010458 169211238 /nfs/dbraw/zinc/21/12/38/169211238.db2.gz QWCUUZGLSAVHNA-UHFFFAOYSA-N 0 1 205.257 2.110 20 0 BEADMN c1cc([C@@H]2CCCN2CCc2ccncc2)n[nH]1 ZINC000289406650 183336061 /nfs/dbraw/zinc/33/60/61/183336061.db2.gz OWVBFVDIWSYRCU-AWEZNQCLSA-N 0 1 242.326 2.184 20 0 BEADMN c1ncc(CN2CCC[C@@H]2c2ccncc2)[nH]1 ZINC000188239894 183364049 /nfs/dbraw/zinc/36/40/49/183364049.db2.gz DCMGMQCYHJBEJE-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN c1cc([C@H]2CCCN2C[C@@H]2CCCCO2)n[nH]1 ZINC000336629064 183364093 /nfs/dbraw/zinc/36/40/93/183364093.db2.gz AQKQPWVEKIVAEL-WCQYABFASA-N 0 1 235.331 2.116 20 0 BEADMN c1cc([C@H]2CCCCN2C[C@@H]2CCCO2)n[nH]1 ZINC000336401652 183361550 /nfs/dbraw/zinc/36/15/50/183361550.db2.gz MRQKKVYYKGKBMN-WCQYABFASA-N 0 1 235.331 2.116 20 0 BEADMN c1c[nH]c(CNC2(Cc3ccccc3)CC2)n1 ZINC000187494410 183390459 /nfs/dbraw/zinc/39/04/59/183390459.db2.gz JBKGKITZKSMZJU-UHFFFAOYSA-N 0 1 227.311 2.275 20 0 BEADMN c1nc(CNCCCc2ccccc2)co1 ZINC000192279804 183391994 /nfs/dbraw/zinc/39/19/94/183391994.db2.gz VIDDEHYPYIGCHL-UHFFFAOYSA-N 0 1 216.284 2.397 20 0 BEADMN c1ccc(CN2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000375313003 183399140 /nfs/dbraw/zinc/39/91/40/183399140.db2.gz AINQDTCMOYVCSX-OAHLLOKOSA-N 0 1 246.354 2.473 20 0 BEADMN CCCOCC(=O)Nc1cccc(Cl)c1O ZINC000077010838 169307869 /nfs/dbraw/zinc/30/78/69/169307869.db2.gz PRNRIGZQDMXDSO-UHFFFAOYSA-N 0 1 243.690 2.411 20 0 BEADMN CCC[C@@H](C(=O)N[C@H](C)c1nnc[nH]1)C(C)C ZINC000179487439 169345363 /nfs/dbraw/zinc/34/53/63/169345363.db2.gz ZRZLEBQACUPADH-NXEZZACHSA-N 0 1 238.335 2.054 20 0 BEADMN CCC[C@@H](Cc1ccccc1)NC(=O)CN(C)C ZINC000171172522 169387284 /nfs/dbraw/zinc/38/72/84/169387284.db2.gz FSZSMAPYWZMNKD-AWEZNQCLSA-N 0 1 248.370 2.076 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155860244 169373064 /nfs/dbraw/zinc/37/30/64/169373064.db2.gz BMMPWFXWNBAGIU-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@@H](NC1CC(OC)C1)c1nccs1 ZINC000221178075 134317265 /nfs/dbraw/zinc/31/72/65/134317265.db2.gz INEISRRECQVRPN-UDNWOFFPSA-N 0 1 226.345 2.361 20 0 BEADMN c1nnsc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000334151518 183553200 /nfs/dbraw/zinc/55/32/00/183553200.db2.gz KVUQSCDKWIPXNK-KOLCDFICSA-N 0 1 223.345 2.303 20 0 BEADMN c1ccc(CN(CC2=NOCC2)C2CC2)cc1 ZINC001644652862 1172584134 /nfs/dbraw/zinc/58/41/34/1172584134.db2.gz BYBSKPSCMMNVKW-UHFFFAOYSA-N 0 1 230.311 2.427 20 0 BEADMN CC(C)CCN1CCN(CC(C)(F)F)CC1 ZINC001644657321 1172586199 /nfs/dbraw/zinc/58/61/99/1172586199.db2.gz MNWVUKKEDHBNCR-UHFFFAOYSA-N 0 1 234.334 2.305 20 0 BEADMN C=C/C=C/CCNC(=O)c1cccc2nc[nH]c21 ZINC001644685267 1172592123 /nfs/dbraw/zinc/59/21/23/1172592123.db2.gz YOBIJVJMKCOSQQ-ONEGZZNKSA-N 0 1 241.294 2.425 20 0 BEADMN CCC[C@](C)(O)CNCc1ncc(Cl)s1 ZINC000225345293 134354652 /nfs/dbraw/zinc/35/46/52/134354652.db2.gz ACYNEDFHVAZZTD-JTQLQIEISA-N 0 1 248.779 2.437 20 0 BEADMN C[C@H]1C[C@H](NCc2ncc(Cl)s2)CCO1 ZINC000225379359 134354819 /nfs/dbraw/zinc/35/48/19/134354819.db2.gz UJSGHCBZPMGJSX-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN CC(=O)CN(C)[C@@H](C)Cc1ccsc1 ZINC001644749141 1172600942 /nfs/dbraw/zinc/60/09/42/1172600942.db2.gz LBBIEUJSLZXJKJ-VIFPVBQESA-N 0 1 211.330 2.200 20 0 BEADMN CCN(CC(C)=O)[C@@H](COC)Cc1ccccc1 ZINC001644762181 1172604722 /nfs/dbraw/zinc/60/47/22/1172604722.db2.gz VCJVULJAVAQGSD-OAHLLOKOSA-N 0 1 249.354 2.155 20 0 BEADMN CCN(CC1CC1)C(=O)c1c(O)cccc1F ZINC000228848974 259636888 /nfs/dbraw/zinc/63/68/88/259636888.db2.gz RUTWUEJRAQQPDL-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1coc(C)c1-c1nc([C@@H]2CCCN2)no1 ZINC000647144979 383839051 /nfs/dbraw/zinc/83/90/51/383839051.db2.gz KOKMHFMSZNPTIT-VIFPVBQESA-N 0 1 233.271 2.371 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)[C@H]1C ZINC000252739892 383840366 /nfs/dbraw/zinc/84/03/66/383840366.db2.gz KYTVVNJMJGYHLM-ZJUUUORDSA-N 0 1 209.289 2.002 20 0 BEADMN C(=C\c1nc([C@@H]2CCCN2)no1)\c1cncs1 ZINC000647145223 383842756 /nfs/dbraw/zinc/84/27/56/383842756.db2.gz QMNCOAGLROQRAN-TYRPZCRBSA-N 0 1 248.311 2.121 20 0 BEADMN CC(C)CCCc1nc([C@H]2CCCN2)no1 ZINC000647145138 383842812 /nfs/dbraw/zinc/84/28/12/383842812.db2.gz OPUZRVKSGQHCSZ-SNVBAGLBSA-N 0 1 223.320 2.473 20 0 BEADMN CC[C@H](C)[C@@H](OC)c1nc([C@@H]2CCCN2)no1 ZINC000647146034 383849703 /nfs/dbraw/zinc/84/97/03/383849703.db2.gz LNMVZRNFXIICFO-LPEHRKFASA-N 0 1 239.319 2.228 20 0 BEADMN CC[C@H](C)[C@H](OC)c1nc([C@@H]2CCCN2)no1 ZINC000647146032 383850468 /nfs/dbraw/zinc/85/04/68/383850468.db2.gz LNMVZRNFXIICFO-GUBZILKMSA-N 0 1 239.319 2.228 20 0 BEADMN CC(C)[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647146160 383853486 /nfs/dbraw/zinc/85/34/86/383853486.db2.gz ODVYSTGYNRJKLE-IVZWLZJFSA-N 0 1 221.304 2.254 20 0 BEADMN CCC[C@H](NC(=O)CN(C)C)C1CCCCC1 ZINC000409510768 383859630 /nfs/dbraw/zinc/85/96/30/383859630.db2.gz UFBCZZMOCHMDNM-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)C1CCC1 ZINC000647143960 383831517 /nfs/dbraw/zinc/83/15/17/383831517.db2.gz HKEAHQXBYNXJQW-WPRPVWTQSA-N 0 1 221.304 2.398 20 0 BEADMN FC1(F)CC(Cc2nc([C@@H]3CCCN3)no2)C1 ZINC000647144061 383833271 /nfs/dbraw/zinc/83/32/71/383833271.db2.gz LNMVMVBBMLHDHT-QMMMGPOBSA-N 0 1 243.257 2.082 20 0 BEADMN C[C@@H]1CC[C@H](Cc2nc([C@@H]3CCCN3)no2)C1 ZINC000647149309 383912639 /nfs/dbraw/zinc/91/26/39/383912639.db2.gz JNKRPUGTIDIWND-VWYCJHECSA-N 0 1 235.331 2.473 20 0 BEADMN CCN(CC(C)(C)C)C(=O)CCc1cnc[nH]1 ZINC000291123157 383913886 /nfs/dbraw/zinc/91/38/86/383913886.db2.gz DCXGTRJPJAKVLF-UHFFFAOYSA-N 0 1 237.347 2.237 20 0 BEADMN C(=C/c1nc([C@H]2CCCN2)no1)\c1cscn1 ZINC000647150657 383923341 /nfs/dbraw/zinc/92/33/41/383923341.db2.gz KZTXEJJSFPAJIE-CDAZIORVSA-N 0 1 248.311 2.121 20 0 BEADMN CC[C@H](O)[C@H](CC)NCc1csc(C)n1 ZINC000313142267 383933222 /nfs/dbraw/zinc/93/32/22/383933222.db2.gz IKKYRBQYIVFSNF-QWRGUYRKSA-N 0 1 228.361 2.091 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])CCc1ccccc1 ZINC000088197345 383885516 /nfs/dbraw/zinc/88/55/16/383885516.db2.gz UPHHCRUWDUHIDI-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN Cc1[nH]c(SCCO)nc1Cc1ccccc1 ZINC000111997512 383887811 /nfs/dbraw/zinc/88/78/11/383887811.db2.gz DFEALOZOTOCVON-UHFFFAOYSA-N 0 1 248.351 2.393 20 0 BEADMN CCOCCN[C@@H](C)c1nc2ccccc2n1C ZINC000036228799 383889747 /nfs/dbraw/zinc/88/97/47/383889747.db2.gz ZFGNAFLKVUTSGV-NSHDSACASA-N 0 1 247.342 2.260 20 0 BEADMN CNC(=O)C[C@H](C)NCc1ccsc1Cl ZINC000312573559 383899072 /nfs/dbraw/zinc/89/90/72/383899072.db2.gz BVQCYLGZGWOHAI-ZETCQYMHSA-N 0 1 246.763 2.016 20 0 BEADMN CCC(=O)CCCN(C)Cc1cnn(CC)c1 ZINC000560218051 383981274 /nfs/dbraw/zinc/98/12/74/383981274.db2.gz BJTFUKIHURYVFN-UHFFFAOYSA-N 0 1 237.347 2.094 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000558400278 383983997 /nfs/dbraw/zinc/98/39/97/383983997.db2.gz JESVRGYZNSWNMS-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000558400278 383984001 /nfs/dbraw/zinc/98/40/01/383984001.db2.gz JESVRGYZNSWNMS-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)C(F)F ZINC000449364815 383993698 /nfs/dbraw/zinc/99/36/98/383993698.db2.gz UJUBUVYZYQVSTE-QXEWZRGKSA-N 0 1 232.318 2.245 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cccc(O)c1 ZINC000037151683 383948416 /nfs/dbraw/zinc/94/84/16/383948416.db2.gz JGBXCWVHYNZBGB-SECBINFHSA-N 0 1 231.299 2.275 20 0 BEADMN COC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000345353355 383950091 /nfs/dbraw/zinc/95/00/91/383950091.db2.gz KEMOBDHZBVNBGQ-WOPDTQHZSA-N 0 1 237.347 2.150 20 0 BEADMN CC[C@H](NC[C@@H]1CCSC1)C(F)F ZINC000449366206 384000401 /nfs/dbraw/zinc/00/04/01/384000401.db2.gz XZMTZMHBWDTODH-YUMQZZPRSA-N 0 1 209.305 2.373 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2CO[C@@H](C)C2)o1 ZINC000647212793 383956636 /nfs/dbraw/zinc/95/66/36/383956636.db2.gz XTTLSFYNPZMEHP-GXSJLCMTSA-N 0 1 238.331 2.203 20 0 BEADMN COC(C)(C)CC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000569370937 383961143 /nfs/dbraw/zinc/96/11/43/383961143.db2.gz QDQAVSYASXUUFE-UHFFFAOYSA-N 0 1 245.363 2.234 20 0 BEADMN C[C@@H](NC[C@@H]1CCCCO1)c1nccs1 ZINC000070733079 383962413 /nfs/dbraw/zinc/96/24/13/383962413.db2.gz OUGRQODZSNGARK-ZJUUUORDSA-N 0 1 226.345 2.363 20 0 BEADMN Fc1ccc(CN2CCCOCC2)cc1 ZINC000334931294 383976370 /nfs/dbraw/zinc/97/63/70/383976370.db2.gz HPULQQQNGMCSTO-UHFFFAOYSA-N 0 1 209.264 2.048 20 0 BEADMN c1csc(CCc2nc([C@@H]3CCCN3)no2)c1 ZINC000647154599 384007495 /nfs/dbraw/zinc/00/74/95/384007495.db2.gz FJMQUQCIDMIHTM-JTQLQIEISA-N 0 1 249.339 2.341 20 0 BEADMN Cc1cnc([C@H](C)NCC[C@@H](C)F)o1 ZINC000308682089 384011842 /nfs/dbraw/zinc/01/18/42/384011842.db2.gz XXYZSJLNNGSVGW-APPZFPTMSA-N 0 1 200.257 2.382 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCC1CCCC1 ZINC000037990339 384049991 /nfs/dbraw/zinc/04/99/91/384049991.db2.gz ARTQTILOBMZGBG-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN COC[C@H](C)NCc1nc(C2CC2)cs1 ZINC000090458654 384029286 /nfs/dbraw/zinc/02/92/86/384029286.db2.gz DFVCAANHUGLHMQ-QMMMGPOBSA-N 0 1 226.345 2.145 20 0 BEADMN CCCC[C@H](COC)N[C@@H]1CCn2ccnc21 ZINC000449369802 384029520 /nfs/dbraw/zinc/02/95/20/384029520.db2.gz GEIMFNCWQGXEHA-VXGBXAGGSA-N 0 1 237.347 2.123 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cc(Cl)ccn1 ZINC000114326714 384032690 /nfs/dbraw/zinc/03/26/90/384032690.db2.gz OXSCJKRNQRSKHT-UHFFFAOYSA-N 0 1 241.722 2.014 20 0 BEADMN Cc1nnc(CN2CC[C@]3(CC[C@@H](C)C3)C2)n1C ZINC000336511909 384036034 /nfs/dbraw/zinc/03/60/34/384036034.db2.gz XFGGHCNIGKMXJY-RISCZKNCSA-N 0 1 248.374 2.136 20 0 BEADMN O[C@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000114470249 384037770 /nfs/dbraw/zinc/03/77/70/384037770.db2.gz VPEQHNMEAXACET-VIFPVBQESA-N 0 1 243.709 2.088 20 0 BEADMN C[C@H](O)CCNCc1csc(C(C)(C)C)n1 ZINC000114771803 384053317 /nfs/dbraw/zinc/05/33/17/384053317.db2.gz YUYHVCSWJSIAHS-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1cn[nH]c1 ZINC000560343632 384080708 /nfs/dbraw/zinc/08/07/08/384080708.db2.gz QTUIOEUWESRRKL-BXUZGUMPSA-N 0 1 245.326 2.102 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1cnccn1 ZINC000070479565 384113357 /nfs/dbraw/zinc/11/33/57/384113357.db2.gz GVXLIZFOGCOTLM-GFCCVEGCSA-N 0 1 237.347 2.190 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])CCc1ccccc1 ZINC000116357532 384131500 /nfs/dbraw/zinc/13/15/00/384131500.db2.gz OKFHTFQMEYAOTA-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)[O-] ZINC000116395129 384132982 /nfs/dbraw/zinc/13/29/82/384132982.db2.gz YFEZTAUBPRCOCY-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000071016007 384147440 /nfs/dbraw/zinc/14/74/40/384147440.db2.gz ZAYRFFVJZBZMQD-UHFFFAOYSA-N 0 1 245.326 2.061 20 0 BEADMN COc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000071016007 384147445 /nfs/dbraw/zinc/14/74/45/384147445.db2.gz ZAYRFFVJZBZMQD-UHFFFAOYSA-N 0 1 245.326 2.061 20 0 BEADMN Cc1nc(CNC[C@@H]2CCCS2)cs1 ZINC000087473176 384149273 /nfs/dbraw/zinc/14/92/73/384149273.db2.gz CFTJYHFJGHGTOT-JTQLQIEISA-N 0 1 228.386 2.437 20 0 BEADMN CC(C)OC(=O)[C@@H]1CCCN1CCCCF ZINC000560462863 384149631 /nfs/dbraw/zinc/14/96/31/384149631.db2.gz RPSXXNOKYDUESA-NSHDSACASA-N 0 1 231.311 2.152 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cn2)C1 ZINC000560468426 384155597 /nfs/dbraw/zinc/15/55/97/384155597.db2.gz DTBMMIVXQNMBHG-TXEJJXNPSA-N 0 1 240.734 2.344 20 0 BEADMN COc1ccc(CCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000070921322 384140888 /nfs/dbraw/zinc/14/08/88/384140888.db2.gz ACOTWUGBYSEUSZ-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CO[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000091772414 384142708 /nfs/dbraw/zinc/14/27/08/384142708.db2.gz FYGLHGLKJBEXIP-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1c(F)cccc1F ZINC000070967682 384144811 /nfs/dbraw/zinc/14/48/11/384144811.db2.gz HWZWGCITUQUDMM-DTWKUNHWSA-N 0 1 227.254 2.404 20 0 BEADMN CCc1ccc(CN2CCC[C@H](OC)C2)o1 ZINC000091772512 384145719 /nfs/dbraw/zinc/14/57/19/384145719.db2.gz PBGRUNSGMAVTPE-LBPRGKRZSA-N 0 1 223.316 2.453 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1c(F)cccc1F ZINC000070967688 384145914 /nfs/dbraw/zinc/14/59/14/384145914.db2.gz HWZWGCITUQUDMM-RKDXNWHRSA-N 0 1 227.254 2.404 20 0 BEADMN CCC(CC)[C@H](O)CNCc1nc(C)cs1 ZINC000117385997 384172125 /nfs/dbraw/zinc/17/21/25/384172125.db2.gz ZAICPGFLSGPHDC-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1cnc[nH]1)C1CC1 ZINC000092009622 384160205 /nfs/dbraw/zinc/16/02/05/384160205.db2.gz NUJFUSDLTIUANO-VIFPVBQESA-N 0 1 205.305 2.173 20 0 BEADMN C[C@@H](C1CC1)[N@H+](Cc1c[nH]cn1)C1CC1 ZINC000092009622 384160208 /nfs/dbraw/zinc/16/02/08/384160208.db2.gz NUJFUSDLTIUANO-VIFPVBQESA-N 0 1 205.305 2.173 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000117154062 384164978 /nfs/dbraw/zinc/16/49/78/384164978.db2.gz LFGHHAJNELONDB-JTQLQIEISA-N 0 1 221.304 2.062 20 0 BEADMN CC(=O)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000040858421 384167334 /nfs/dbraw/zinc/16/73/34/384167334.db2.gz WVMDHLPXHLNBLV-GFCCVEGCSA-N 0 1 248.326 2.201 20 0 BEADMN O=C(CCc1cnc[nH]1)N(C1CCC1)C1CCC1 ZINC000294006121 384181932 /nfs/dbraw/zinc/18/19/32/384181932.db2.gz XRULDYVALCLCTC-UHFFFAOYSA-N 0 1 247.342 2.276 20 0 BEADMN C[C@H](NCCOCC1CCCC1)c1ccncn1 ZINC000313266664 384182072 /nfs/dbraw/zinc/18/20/72/384182072.db2.gz SDGVWGMBQVVZNW-LBPRGKRZSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cc(CCNCc2ncc(C)s2)on1 ZINC000569544434 384203045 /nfs/dbraw/zinc/20/30/45/384203045.db2.gz MPXHBBOCGADBGK-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN C[C@H](n1[nH]c(C2CC2)cc1=O)C(C)(C)C ZINC000400316927 384186487 /nfs/dbraw/zinc/18/64/87/384186487.db2.gz DKEZFSLTAUVYOP-QMMMGPOBSA-N 0 1 208.305 2.419 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cc(C)no1 ZINC000309658941 384197048 /nfs/dbraw/zinc/19/70/48/384197048.db2.gz QSIJREBYZLMLEJ-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CC(=O)N(C)c2ccc(C)cc2)n[nH]1 ZINC000132417261 384230216 /nfs/dbraw/zinc/23/02/16/384230216.db2.gz IJDNSFPHGHEECZ-UHFFFAOYSA-N 0 1 243.310 2.232 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC000132509837 384234992 /nfs/dbraw/zinc/23/49/92/384234992.db2.gz YVLWFXPRQGRUOK-VHSXEESVSA-N 0 1 235.331 2.090 20 0 BEADMN C[C@H]1CCN(CCOCC2CCC2)C[C@@H]1F ZINC000642700229 384211843 /nfs/dbraw/zinc/21/18/43/384211843.db2.gz KPEWAICROFESDJ-AAEUAGOBSA-N 0 1 229.339 2.483 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000294073507 384216487 /nfs/dbraw/zinc/21/64/87/384216487.db2.gz ANBUHBOGRLQHMX-PWSUYJOCSA-N 0 1 247.342 2.369 20 0 BEADMN O=C(CN1CCCCC1)NCC1CCCCC1 ZINC000072590221 384227475 /nfs/dbraw/zinc/22/74/75/384227475.db2.gz AEKIEIVQDSUWRP-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CCN(Cc1ccccn1)CC1=CCCOC1 ZINC000093338905 384227929 /nfs/dbraw/zinc/22/79/29/384227929.db2.gz AJZMWERROHJDSW-UHFFFAOYSA-N 0 1 232.327 2.250 20 0 BEADMN C[C@H]1SCCN(Cc2cncs2)[C@H]1C ZINC000093499872 384243798 /nfs/dbraw/zinc/24/37/98/384243798.db2.gz BWRFQPCCRXSCPZ-DTWKUNHWSA-N 0 1 228.386 2.469 20 0 BEADMN Cc1nn(C)cc1CN1CCSC(C)(C)C1 ZINC000093504278 384245557 /nfs/dbraw/zinc/24/55/57/384245557.db2.gz LTXHJVRODDQDGV-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN C[C@H](C[S@](C)=O)N(C)Cc1cccc(F)c1 ZINC000158563449 384247087 /nfs/dbraw/zinc/24/70/87/384247087.db2.gz VQDFDGOQCBQXGO-QLJPJBMISA-N 0 1 243.347 2.025 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1cscn1 ZINC000082625989 384249808 /nfs/dbraw/zinc/24/98/08/384249808.db2.gz HIBXAJOFTCRTOX-GHMZBOCLSA-N 0 1 226.345 2.190 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1cscn1 ZINC000082625990 384250199 /nfs/dbraw/zinc/25/01/99/384250199.db2.gz HIBXAJOFTCRTOX-MNOVXSKESA-N 0 1 226.345 2.190 20 0 BEADMN NCc1cc(C(=O)NCCC2CCCC2)co1 ZINC000187383872 384254739 /nfs/dbraw/zinc/25/47/39/384254739.db2.gz RKNIZSRFRGGMSD-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CCc1ccc(CN2CC[N@H+](C)C[C@H]2CC)o1 ZINC000560614283 384255499 /nfs/dbraw/zinc/25/54/99/384255499.db2.gz AQHCJJIKDQWEDU-GFCCVEGCSA-N 0 1 236.359 2.368 20 0 BEADMN CCc1ccc(CN2CCN(C)C[C@H]2CC)o1 ZINC000560614283 384255522 /nfs/dbraw/zinc/25/55/22/384255522.db2.gz AQHCJJIKDQWEDU-GFCCVEGCSA-N 0 1 236.359 2.368 20 0 BEADMN COC(=O)c1cc(CN(C)C2CC2)c(C)s1 ZINC000132828972 384255839 /nfs/dbraw/zinc/25/58/39/384255839.db2.gz IGJPWMRUUDNFQX-UHFFFAOYSA-N 0 1 239.340 2.437 20 0 BEADMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccsc1 ZINC000082681150 384256828 /nfs/dbraw/zinc/25/68/28/384256828.db2.gz GISYUAIDTSRHBD-XPUUQOCRSA-N 0 1 239.262 2.322 20 0 BEADMN CC[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313324622 384261127 /nfs/dbraw/zinc/26/11/27/384261127.db2.gz MWZNYIPONBBBNU-TZMCWYRMSA-N 0 1 246.354 2.206 20 0 BEADMN CC(C)N1CCN(C(=O)C2=CCCCC2)CC1 ZINC000336630095 384268367 /nfs/dbraw/zinc/26/83/67/384268367.db2.gz DHXQGMMTQJSLHK-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1noc(C)c1CN(C)[C@@H]1CCSC1 ZINC000119911762 384315804 /nfs/dbraw/zinc/31/58/04/384315804.db2.gz VHQWMIYLTXIDPC-SNVBAGLBSA-N 0 1 226.345 2.229 20 0 BEADMN CCOC(=O)CN1CCCC(C)(C)CC1 ZINC000083680693 384316138 /nfs/dbraw/zinc/31/61/38/384316138.db2.gz JSKSKQQWEFFIFM-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)CO[C@@H]1CCN(Cc2cccnc2)C1 ZINC000119948390 384319529 /nfs/dbraw/zinc/31/95/29/384319529.db2.gz BJLYUKRYYPODCJ-CQSZACIVSA-N 0 1 234.343 2.329 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](C)CC2)n[nH]1 ZINC000119572815 384284163 /nfs/dbraw/zinc/28/41/63/384284163.db2.gz HDLBUUIRPSEZRX-SNVBAGLBSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@H](NCCc1cscn1)c1nccs1 ZINC000083143429 384284712 /nfs/dbraw/zinc/28/47/12/384284712.db2.gz CRTXHXUHZZCXFZ-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)o1 ZINC000304414645 384287649 /nfs/dbraw/zinc/28/76/49/384287649.db2.gz QDOQAPCHDTZKMF-CABZTGNLSA-N 0 1 237.299 2.131 20 0 BEADMN CCC(C)(C)CC[N@@H+](CC(=O)[O-])C1CC1 ZINC000566358595 384296872 /nfs/dbraw/zinc/29/68/72/384296872.db2.gz JIGTUIPULIABSM-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)s1 ZINC000083414669 384300866 /nfs/dbraw/zinc/30/08/66/384300866.db2.gz PZWHHOSUPPLKHL-JTQLQIEISA-N 0 1 227.329 2.352 20 0 BEADMN CCC[N@H+](CC(=O)[O-])CC(CC)CC ZINC000083411664 384301717 /nfs/dbraw/zinc/30/17/17/384301717.db2.gz ODYBGISXWIMOMF-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN COC[C@H]1CN(Cc2ccccc2C)C[C@H](C)O1 ZINC000251985604 384301789 /nfs/dbraw/zinc/30/17/89/384301789.db2.gz VQJGXCCLTFFUGU-DZGCQCFKSA-N 0 1 249.354 2.231 20 0 BEADMN FC(F)O[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000558865990 384345194 /nfs/dbraw/zinc/34/51/94/384345194.db2.gz CDAGQNYAYOMETB-QWRGUYRKSA-N 0 1 249.301 2.259 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558866933 384346687 /nfs/dbraw/zinc/34/66/87/384346687.db2.gz VGDIVZFDBKQMBQ-UWVGGRQHSA-N 0 1 242.269 2.456 20 0 BEADMN C[C@@H](c1ccccn1)N1CC[C@H](OC(F)F)C1 ZINC000558866933 384346691 /nfs/dbraw/zinc/34/66/91/384346691.db2.gz VGDIVZFDBKQMBQ-UWVGGRQHSA-N 0 1 242.269 2.456 20 0 BEADMN c1cncc(CCSc2nc(C3CC3)n[nH]2)c1 ZINC000134310418 384350509 /nfs/dbraw/zinc/35/05/09/384350509.db2.gz YZGOPIAKGMLEEF-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN c1cncc(CCSc2n[nH]c(C3CC3)n2)c1 ZINC000134310418 384350533 /nfs/dbraw/zinc/35/05/33/384350533.db2.gz YZGOPIAKGMLEEF-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000044693167 384351439 /nfs/dbraw/zinc/35/14/39/384351439.db2.gz RULIGFVTFZDUCV-NEPJUHHUSA-N 0 1 224.304 2.030 20 0 BEADMN COC(=O)c1coc(CN2CC[C@@H]2C2CC2)c1 ZINC000449424495 384324221 /nfs/dbraw/zinc/32/42/21/384324221.db2.gz FAOYNENBXWPCAU-GFCCVEGCSA-N 0 1 235.283 2.051 20 0 BEADMN Cc1nccc(N[C@@H]2CCO[C@H](C)C2)c1Cl ZINC000335557918 384326778 /nfs/dbraw/zinc/32/67/78/384326778.db2.gz UVOFQLLWVPLZPN-PSASIEDQSA-N 0 1 240.734 2.445 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000084347393 384392002 /nfs/dbraw/zinc/39/20/02/384392002.db2.gz BJLCVZPACLBYTJ-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN c1csc(CN(C[C@H]2CCOC2)C2CC2)n1 ZINC000134986548 384404992 /nfs/dbraw/zinc/40/49/92/384404992.db2.gz GAIZMHMMPNWWEL-SNVBAGLBSA-N 0 1 238.356 2.144 20 0 BEADMN CCC[N@@H+](CCc1ccccc1F)CC(=O)[O-] ZINC000560927231 384412591 /nfs/dbraw/zinc/41/25/91/384412591.db2.gz BXNUYQDEFLSUDI-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN c1csc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000135143514 384414453 /nfs/dbraw/zinc/41/44/53/384414453.db2.gz RCQRPUUXKUBMTO-NXEZZACHSA-N 0 1 208.330 2.375 20 0 BEADMN CC(C)CC[C@@H]1CCCN1Cc1nccc(N)n1 ZINC000135162720 384417624 /nfs/dbraw/zinc/41/76/24/384417624.db2.gz KWKMKUUBWFBDOF-LBPRGKRZSA-N 0 1 248.374 2.459 20 0 BEADMN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccoc1 ZINC000556434741 384386017 /nfs/dbraw/zinc/38/60/17/384386017.db2.gz UEQSXPNMGXXVIL-UHTWSYAYSA-N 0 1 248.326 2.084 20 0 BEADMN Cc1ccncc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000135450116 384446715 /nfs/dbraw/zinc/44/67/15/384446715.db2.gz XWAZOCWUSVHBLV-CQSZACIVSA-N 0 1 247.386 2.354 20 0 BEADMN C[C@@H](C(=O)Nc1ccccn1)N1[C@H](C)CC[C@H]1C ZINC000121963709 384448860 /nfs/dbraw/zinc/44/88/60/384448860.db2.gz CEAIUNDQDCLVFQ-UTUOFQBUSA-N 0 1 247.342 2.281 20 0 BEADMN CC[C@@H](C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000181137899 384455959 /nfs/dbraw/zinc/45/59/59/384455959.db2.gz DHOKIERRQWBJPK-NXEZZACHSA-N 0 1 238.297 2.353 20 0 BEADMN CC/C=C\CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000516932386 384429884 /nfs/dbraw/zinc/42/98/84/384429884.db2.gz MNGUOBTYGDGYPO-DLRQAJBASA-N 0 1 243.372 2.235 20 0 BEADMN CN(CCC1CC1)CC(=O)N(C)c1ccccc1 ZINC000135299068 384433053 /nfs/dbraw/zinc/43/30/53/384433053.db2.gz KEIJQQUJNOEOJB-UHFFFAOYSA-N 0 1 246.354 2.381 20 0 BEADMN CC(C)CONC(=O)[C@@H]1CCOc2ccccc21 ZINC000135340647 384438378 /nfs/dbraw/zinc/43/83/78/384438378.db2.gz ZPQFRHBMDAHWRM-GFCCVEGCSA-N 0 1 249.310 2.257 20 0 BEADMN C[C@H](Cn1ccnc1)N[C@H](C)c1cscn1 ZINC000161155747 384469450 /nfs/dbraw/zinc/46/94/50/384469450.db2.gz GDYUOKLBEKLRQL-NXEZZACHSA-N 0 1 236.344 2.079 20 0 BEADMN COc1ccc(C)cc1NC(=O)c1cn[nH]c1C ZINC000070212055 384470127 /nfs/dbraw/zinc/47/01/27/384470127.db2.gz MHYXANOLIBUDJR-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN C[C@H]1C[C@H](NCc2ccc(Cl)o2)CO1 ZINC000335664299 384477231 /nfs/dbraw/zinc/47/72/31/384477231.db2.gz QDMKTXQNOITFPY-YUMQZZPRSA-N 0 1 215.680 2.200 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000037098645 384478482 /nfs/dbraw/zinc/47/84/82/384478482.db2.gz JDPBDMQMOLCMAC-LLVKDONJSA-N 0 1 207.273 2.154 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccs2)no1 ZINC000047848500 384484066 /nfs/dbraw/zinc/48/40/66/384484066.db2.gz HNECOLKQRKZQRD-LURJTMIESA-N 0 1 209.274 2.079 20 0 BEADMN CCC[C@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000036791183 384458697 /nfs/dbraw/zinc/45/86/97/384458697.db2.gz FYFNXHMAEBZCMY-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN CC[C@]1(C)CN(C[C@H](O)c2ccccc2)CCO1 ZINC000135662991 384459017 /nfs/dbraw/zinc/45/90/17/384459017.db2.gz CGDSACOKRDZNGL-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1cccs1)C1CC1 ZINC000037474153 384502815 /nfs/dbraw/zinc/50/28/15/384502815.db2.gz WGACHUNNVRASKW-UHFFFAOYSA-N 0 1 225.313 2.187 20 0 BEADMN COC(CN(C)[C@H](C)c1ccc(F)cc1)OC ZINC000136717638 384504070 /nfs/dbraw/zinc/50/40/70/384504070.db2.gz LTRQESXXLMJRDM-SNVBAGLBSA-N 0 1 241.306 2.437 20 0 BEADMN O=C([O-])C[N@@H+](CC1CCCCC1)C1CC1 ZINC000037474630 384504177 /nfs/dbraw/zinc/50/41/77/384504177.db2.gz HAGFJHUFMIHGOZ-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN Cn1c(Cl)cnc1CN1CCC2(CC2)CC1 ZINC000363478569 384488611 /nfs/dbraw/zinc/48/86/11/384488611.db2.gz BAIPCXDFOJWWKB-UHFFFAOYSA-N 0 1 239.750 2.450 20 0 BEADMN c1csc(CN[C@@H]2CCCSC2)n1 ZINC000061589042 384520803 /nfs/dbraw/zinc/52/08/03/384520803.db2.gz BTTVUNUOUWOGNK-MRVPVSSYSA-N 0 1 214.359 2.128 20 0 BEADMN COC[C@@H](NCc1nc(C)cs1)C(C)C ZINC000085445093 384524540 /nfs/dbraw/zinc/52/45/40/384524540.db2.gz DMSGCUBRYBLIRS-SNVBAGLBSA-N 0 1 228.361 2.212 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H]1C ZINC000085494672 384526404 /nfs/dbraw/zinc/52/64/04/384526404.db2.gz LTEUNMJZOSGMNA-UWVGGRQHSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@H]1C ZINC000085494670 384527466 /nfs/dbraw/zinc/52/74/66/384527466.db2.gz LTEUNMJZOSGMNA-ZJUUUORDSA-N 0 1 213.321 2.201 20 0 BEADMN CCc1nnc(CN(CC(C)C)C(C)C)o1 ZINC000170908953 384531488 /nfs/dbraw/zinc/53/14/88/384531488.db2.gz RDFDAKZXCZXPKQ-UHFFFAOYSA-N 0 1 225.336 2.498 20 0 BEADMN C[C@H](NC(=O)c1ccc(F)cc1O)C1CC1 ZINC000123225609 384542143 /nfs/dbraw/zinc/54/21/43/384542143.db2.gz ZRPKHWJAHRCPGL-ZETCQYMHSA-N 0 1 223.247 2.060 20 0 BEADMN Cc1nc(CN2CCC[C@H](CO)CC2)cs1 ZINC000292978544 384543611 /nfs/dbraw/zinc/54/36/11/384543611.db2.gz BCRGHLCNRIXIKL-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN OCCN(Cc1cc(F)ccc1F)CC1CC1 ZINC000143127124 384553875 /nfs/dbraw/zinc/55/38/75/384553875.db2.gz VDDCKVAEXGAXCQ-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN CC(C)N1C(=O)CN(CC2(C)CC2)CC1(C)C ZINC000559108817 384558094 /nfs/dbraw/zinc/55/80/94/384558094.db2.gz ODSVTAAREMDYRM-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(CN2CCCC[C@@H]2C(N)=O)c(C)c1 ZINC000162048763 384563303 /nfs/dbraw/zinc/56/33/03/384563303.db2.gz URWIELXIVSGQNI-CQSZACIVSA-N 0 1 246.354 2.143 20 0 BEADMN C[C@H]1[C@@H](C)[N@@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000517900884 384560988 /nfs/dbraw/zinc/56/09/88/384560988.db2.gz VIYFUYVIIBRMEI-GMTAPVOTSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2ncccc2[O-])C[C@H]1C ZINC000517900884 384560993 /nfs/dbraw/zinc/56/09/93/384560993.db2.gz VIYFUYVIIBRMEI-GMTAPVOTSA-N 0 1 220.316 2.264 20 0 BEADMN CN(Cc1cc(O)cc(F)c1)C[C@H]1CCCO1 ZINC000184149226 384572481 /nfs/dbraw/zinc/57/24/81/384572481.db2.gz VWAARHDKCAIVCP-CYBMUJFWSA-N 0 1 239.290 2.142 20 0 BEADMN CCNC(=O)CNCc1csc2ccccc12 ZINC000049943290 384580402 /nfs/dbraw/zinc/58/04/02/384580402.db2.gz SXFQSIXOGJMUEZ-UHFFFAOYSA-N 0 1 248.351 2.127 20 0 BEADMN CN(CCc1ccccc1)CC(=O)NC(C)(C)C ZINC000049974762 384583405 /nfs/dbraw/zinc/58/34/05/384583405.db2.gz SMWAPYWZOABVJM-UHFFFAOYSA-N 0 1 248.370 2.076 20 0 BEADMN Cc1ccc([C@@H](C)N[C@@H](C)C[S@](C)=O)o1 ZINC000184283170 384588199 /nfs/dbraw/zinc/58/81/99/384588199.db2.gz JCENVBNZNXBVSS-FLBPPNCPSA-N 0 1 229.345 2.006 20 0 BEADMN Cc1cccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)[nH+]1 ZINC000516869578 384567038 /nfs/dbraw/zinc/56/70/38/384567038.db2.gz KWHAQDREHPOVFK-ZJUUUORDSA-N 0 1 220.272 2.055 20 0 BEADMN Cc1ccc(CN2CCCC[C@H]2C(N)=O)cc1C ZINC000162068949 384567897 /nfs/dbraw/zinc/56/78/97/384567897.db2.gz KCRSKMNSHQJTSU-AWEZNQCLSA-N 0 1 246.354 2.143 20 0 BEADMN CC(C)CCCN1CCC[C@@H]1c1nncn1C ZINC000363901282 384602986 /nfs/dbraw/zinc/60/29/86/384602986.db2.gz ZMKJJMNJZLSRIR-GFCCVEGCSA-N 0 1 236.363 2.388 20 0 BEADMN CCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367573439 384632468 /nfs/dbraw/zinc/63/24/68/384632468.db2.gz HPCYBQASGFHEGN-KGLIPLIRSA-N 0 1 241.375 2.447 20 0 BEADMN Cc1n[nH]cc1CCCNc1cc(C)ccn1 ZINC000050182957 384606558 /nfs/dbraw/zinc/60/65/58/384606558.db2.gz MVNXOPCTZLWYLC-UHFFFAOYSA-N 0 1 230.315 2.466 20 0 BEADMN CCOC[C@@H]1CCN(Cc2csc(C)n2)C1 ZINC000176349304 384609142 /nfs/dbraw/zinc/60/91/42/384609142.db2.gz VRIBCSPGCDJERQ-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CN[C@@H](C)c1cn(CCC(C)(C)C2CC2)nn1 ZINC000406011644 384614251 /nfs/dbraw/zinc/61/42/51/384614251.db2.gz SWENHLDJZVQVNK-JTQLQIEISA-N 0 1 236.363 2.385 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124128901 384615728 /nfs/dbraw/zinc/61/57/28/384615728.db2.gz GVCRIVWXMLOGTA-TZMCWYRMSA-N 0 1 247.338 2.113 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C1CC1 ZINC000406049258 384622367 /nfs/dbraw/zinc/62/23/67/384622367.db2.gz FZBDCHSHNGDZCR-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(C)c(CN(C)CC(=O)N(C)C)cc1C ZINC000162459137 384626902 /nfs/dbraw/zinc/62/69/02/384626902.db2.gz QJWCFLOADJBNNI-UHFFFAOYSA-N 0 1 248.370 2.132 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN(CCO)C2CC2)o1 ZINC000081649283 384627567 /nfs/dbraw/zinc/62/75/67/384627567.db2.gz BBVWWOGVWVVMCL-ZWNOBZJWSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@@H](NCCO)c1ccccc1Br ZINC000020597063 384628060 /nfs/dbraw/zinc/62/80/60/384628060.db2.gz DIJCQPFISSGEJJ-MRVPVSSYSA-N 0 1 244.132 2.092 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000042163611 384630266 /nfs/dbraw/zinc/63/02/66/384630266.db2.gz ONBUAMIKBKWWTC-ZDUSSCGKSA-N 0 1 233.311 2.168 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)[C@H]1CC12CC2 ZINC000335208769 384630383 /nfs/dbraw/zinc/63/03/83/384630383.db2.gz PDRBUHSGUMETGV-ZCFIWIBFSA-N 0 1 239.221 2.409 20 0 BEADMN Fc1ccc2c(c1)OCCN(CC1CC1)C2 ZINC000626152857 384598446 /nfs/dbraw/zinc/59/84/46/384598446.db2.gz KBUCSXWSBLASIB-UHFFFAOYSA-N 0 1 221.275 2.430 20 0 BEADMN Cc1cc(CN2CC[C@H](c3ccncc3)C2)no1 ZINC000517957454 384599144 /nfs/dbraw/zinc/59/91/44/384599144.db2.gz QAQPNONBRSFHRN-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1ccsc1CNC(=O)C(F)(F)F ZINC000082322664 384665020 /nfs/dbraw/zinc/66/50/20/384665020.db2.gz XTLWQLBMPCAFMG-UHFFFAOYSA-N 0 1 223.219 2.235 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCN2C)cc1C ZINC000082322789 384665430 /nfs/dbraw/zinc/66/54/30/384665430.db2.gz HZHZEOISOCZGAW-ZDUSSCGKSA-N 0 1 232.327 2.336 20 0 BEADMN CO[C@H](C)c1nc(CNC(C)C)cs1 ZINC000086590464 384665438 /nfs/dbraw/zinc/66/54/38/384665438.db2.gz JOETYMYSJLKSPY-MRVPVSSYSA-N 0 1 214.334 2.349 20 0 BEADMN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C)c1 ZINC000082322621 384666120 /nfs/dbraw/zinc/66/61/20/384666120.db2.gz WUZHVOMWTQJROB-ZDUSSCGKSA-N 0 1 232.327 2.336 20 0 BEADMN Cc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 ZINC000082321229 384666623 /nfs/dbraw/zinc/66/66/23/384666623.db2.gz FHARHSCJEOABQM-LBPRGKRZSA-N 0 1 218.300 2.028 20 0 BEADMN Cc1nsc(C)c1CN(C)C[C@H]1CCCO1 ZINC000521063367 384667216 /nfs/dbraw/zinc/66/72/16/384667216.db2.gz RURQAWFSDCLARA-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1C[C@@H]1C(C)C ZINC000184981283 384669811 /nfs/dbraw/zinc/66/98/11/384669811.db2.gz YQRDOHLCUSMIJI-OLZOCXBDSA-N 0 1 249.358 2.059 20 0 BEADMN Cc1occc1CN[C@H](C)c1cnn(C)c1 ZINC000309805167 384634349 /nfs/dbraw/zinc/63/43/49/384634349.db2.gz RYQHQSCCWXQLQQ-SECBINFHSA-N 0 1 219.288 2.172 20 0 BEADMN CC[C@H](c1ccncc1)N(C)Cc1cnn(C)c1 ZINC000162547913 384642581 /nfs/dbraw/zinc/64/25/81/384642581.db2.gz IIXOMSMONRWKLJ-CQSZACIVSA-N 0 1 244.342 2.398 20 0 BEADMN Cc1cc(C)c(C[N@@H+](C)CC(=O)[O-])c(C)c1 ZINC000053300493 384647499 /nfs/dbraw/zinc/64/74/99/384647499.db2.gz OJKFZJQPWRTZLL-UHFFFAOYSA-N 0 1 221.300 2.128 20 0 BEADMN CC(C)CONC(=O)c1ccc(O)c(Cl)c1 ZINC000124531423 384648603 /nfs/dbraw/zinc/64/86/03/384648603.db2.gz JBRCSAOYFUNDAC-UHFFFAOYSA-N 0 1 243.690 2.363 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000050885411 384650026 /nfs/dbraw/zinc/65/00/26/384650026.db2.gz FEUYLXXOOZTHKN-NSHDSACASA-N 0 1 243.253 2.260 20 0 BEADMN Cc1ccc2nc(C[NH2+][C@H]3CO[C@@H](C)C3)[nH]c2c1 ZINC000647189029 384651529 /nfs/dbraw/zinc/65/15/29/384651529.db2.gz ZBZKOGCSAMPTAT-WDEREUQCSA-N 0 1 245.326 2.138 20 0 BEADMN Cc1ccc2[nH]c(CN[C@H]3CO[C@@H](C)C3)nc2c1 ZINC000647189029 384651535 /nfs/dbraw/zinc/65/15/35/384651535.db2.gz ZBZKOGCSAMPTAT-WDEREUQCSA-N 0 1 245.326 2.138 20 0 BEADMN CCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000049843445 384684091 /nfs/dbraw/zinc/68/40/91/384684091.db2.gz YNSFCNOUZVJYMD-ZDUSSCGKSA-N 0 1 233.311 2.471 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)OC(C)(C)C ZINC000050183193 384689142 /nfs/dbraw/zinc/68/91/42/384689142.db2.gz PTYGJXIENJXWFV-UHFFFAOYSA-N 0 1 239.319 2.175 20 0 BEADMN Cc1csc(CN(C)CC2(O)CCCC2)n1 ZINC000125227463 384704385 /nfs/dbraw/zinc/70/43/85/384704385.db2.gz QHWPKLGSKFZAFR-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@@H](C(=O)Nc1ccsc1)N(C)C ZINC000125255948 384705893 /nfs/dbraw/zinc/70/58/93/384705893.db2.gz NFMOYGBRDJUVTE-VIFPVBQESA-N 0 1 212.318 2.027 20 0 BEADMN C[C@H](CCO)NCc1csc(C(C)(C)C)n1 ZINC000125263969 384707347 /nfs/dbraw/zinc/70/73/47/384707347.db2.gz ANFRCKIACLFBAX-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000363955614 384714980 /nfs/dbraw/zinc/71/49/80/384714980.db2.gz VXUNEMQCDCGJCW-MELADBBJSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1CCC[C@@H]1C ZINC000185893427 384780669 /nfs/dbraw/zinc/78/06/69/384780669.db2.gz YHKUJLMWHFCAJT-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN CCCc1ccc(C(=O)N2CCNC[C@@H]2C)cc1 ZINC000126188710 384774977 /nfs/dbraw/zinc/77/49/77/384774977.db2.gz VOOORAXDOPVFFM-LBPRGKRZSA-N 0 1 246.354 2.073 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1nccc(N)n1 ZINC000185855337 384775810 /nfs/dbraw/zinc/77/58/10/384775810.db2.gz DZXJJXSVVNPANC-LLVKDONJSA-N 0 1 234.347 2.213 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2ccc(C)s2)n[nH]1 ZINC000102759775 384729708 /nfs/dbraw/zinc/72/97/08/384729708.db2.gz XIYUERNQGKWHIK-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1cnc([C@H](C)NCCC(C)(C)O)s1 ZINC000126083512 384730114 /nfs/dbraw/zinc/73/01/14/384730114.db2.gz BRJWKHKGSWRXKU-VIFPVBQESA-N 0 1 228.361 2.263 20 0 BEADMN C[C@H](C[C@H](C)O)NCc1csc(C2CC2)n1 ZINC000309937792 384735654 /nfs/dbraw/zinc/73/56/54/384735654.db2.gz AQCPDPIUFIBSAM-BDAKNGLRSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@H](NC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000173921161 384736434 /nfs/dbraw/zinc/73/64/34/384736434.db2.gz FNNHFMOUNMFVKZ-LBPRGKRZSA-N 0 1 246.354 2.348 20 0 BEADMN CN(Cc1cccs1)Cc1ccnc(N)c1 ZINC000052720352 384741381 /nfs/dbraw/zinc/74/13/81/384741381.db2.gz PPXXTSFSLYIIHG-UHFFFAOYSA-N 0 1 233.340 2.357 20 0 BEADMN CC(C)C[C@@H](CO)N[C@H](C)c1nccs1 ZINC000083143125 384744127 /nfs/dbraw/zinc/74/41/27/384744127.db2.gz QIJGYTAQTJCYIJ-ZJUUUORDSA-N 0 1 228.361 2.201 20 0 BEADMN CCOC(=O)CCCN[C@@H](C)c1nccs1 ZINC000083143529 384744838 /nfs/dbraw/zinc/74/48/38/384744838.db2.gz OXDVIYMDRKQSJA-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)CO1 ZINC000647192901 384748488 /nfs/dbraw/zinc/74/84/88/384748488.db2.gz BWGNAEQJOPGKAF-PSASIEDQSA-N 0 1 238.356 2.288 20 0 BEADMN C[C@H]1C[C@@H](NCc2nc(C3CC3)cs2)CO1 ZINC000647192903 384749336 /nfs/dbraw/zinc/74/93/36/384749336.db2.gz BWGNAEQJOPGKAF-WCBMZHEXSA-N 0 1 238.356 2.288 20 0 BEADMN CCCc1csc(CN[C@]2(C)CCOC2)n1 ZINC000309972821 384752219 /nfs/dbraw/zinc/75/22/19/384752219.db2.gz QJUSMQUULFJOSD-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881465 384754077 /nfs/dbraw/zinc/75/40/77/384754077.db2.gz HTSJNXFUAGVCTF-IUODEOHRSA-N 0 1 248.370 2.365 20 0 BEADMN COCc1cccc(CNC(=O)C(F)(F)F)c1 ZINC000111888418 384755984 /nfs/dbraw/zinc/75/59/84/384755984.db2.gz AJSIOJHSHSKHNT-UHFFFAOYSA-N 0 1 247.216 2.012 20 0 BEADMN C[C@H](N[C@H]1COC(C)(C)C1)c1nccs1 ZINC000334924567 384757151 /nfs/dbraw/zinc/75/71/51/384757151.db2.gz ILEDGLBUGGAUCV-DTWKUNHWSA-N 0 1 226.345 2.361 20 0 BEADMN Clc1sccc1CN[C@@H]1CCOC1 ZINC000306185378 384763299 /nfs/dbraw/zinc/76/32/99/384763299.db2.gz RLGMZOHXZSQWRS-MRVPVSSYSA-N 0 1 217.721 2.280 20 0 BEADMN CC[C@@]1(C)CCCN([C@@H](C)C(=O)OC)C1 ZINC000174196082 384763590 /nfs/dbraw/zinc/76/35/90/384763590.db2.gz XLALGBRCOZJZEK-JQWIXIFHSA-N 0 1 213.321 2.060 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)n[nH]1 ZINC000174606994 384816015 /nfs/dbraw/zinc/81/60/15/384816015.db2.gz ZYFPWSNVDQFLHZ-NSHDSACASA-N 0 1 249.358 2.480 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cccc(F)c2F)CO1 ZINC000335662530 384819257 /nfs/dbraw/zinc/81/92/57/384819257.db2.gz FZEJCVACJUALDY-PSASIEDQSA-N 0 1 227.254 2.232 20 0 BEADMN CC(C)c1nc2ccc(NC(=O)CN)cc2s1 ZINC000083960563 384821018 /nfs/dbraw/zinc/82/10/18/384821018.db2.gz KNSAQURDVTYNOI-UHFFFAOYSA-N 0 1 249.339 2.317 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@H]2C[C@H](C)n3ccnc32)O1 ZINC000398185410 384833669 /nfs/dbraw/zinc/83/36/69/384833669.db2.gz UYQITXOZMKXYRV-QCNOEVLYSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CC12CC2 ZINC000564430106 384788280 /nfs/dbraw/zinc/78/82/80/384788280.db2.gz VVPUBJLHBBNFBS-JTQLQIEISA-N 0 1 247.342 2.371 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000083662581 384789132 /nfs/dbraw/zinc/78/91/32/384789132.db2.gz RZXAJSKOFLEBRC-ZDUSSCGKSA-N 0 1 233.311 2.471 20 0 BEADMN CC(C)(C)NC(=O)c1n[nH]c2ccccc21 ZINC000053495154 384790190 /nfs/dbraw/zinc/79/01/90/384790190.db2.gz ZIHKPUITLYDZNW-UHFFFAOYSA-N 0 1 217.272 2.091 20 0 BEADMN C[C@@H]1C[C@@H](NCCOC(F)(F)F)c2nccn21 ZINC000398256567 384870827 /nfs/dbraw/zinc/87/08/27/384870827.db2.gz QPWCEZMDIAYUBK-HTQZYQBOSA-N 0 1 249.236 2.015 20 0 BEADMN CC[C@@H](C(N)=O)N(C)Cc1cc2ccccc2o1 ZINC000175192932 384878685 /nfs/dbraw/zinc/87/86/85/384878685.db2.gz MXLDKEYEOYWYIO-LBPRGKRZSA-N 0 1 246.310 2.129 20 0 BEADMN O=C1CCN(CC[C@H]2CCOC2)C2(CCC2)C1 ZINC000564465045 384841421 /nfs/dbraw/zinc/84/14/21/384841421.db2.gz CHXYOSQFCAPRNZ-LBPRGKRZSA-N 0 1 237.343 2.001 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000449907795 384844981 /nfs/dbraw/zinc/84/49/81/384844981.db2.gz PUVQORUPDRXQBN-JQWIXIFHSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1F ZINC000335206680 384852513 /nfs/dbraw/zinc/85/25/13/384852513.db2.gz HXECJSJXTOZLBU-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN COC[C@H](C)Nc1ccnc(C)c1Cl ZINC000306281593 384854103 /nfs/dbraw/zinc/85/41/03/384854103.db2.gz XLCWWXHQOBKEEH-ZETCQYMHSA-N 0 1 214.696 2.490 20 0 BEADMN Cc1c([C@@H](C)NCc2cncs2)cnn1C ZINC000054771204 384855071 /nfs/dbraw/zinc/85/50/71/384855071.db2.gz IEFZFUMXLGYQHA-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN COC(=O)c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000186623816 384863953 /nfs/dbraw/zinc/86/39/53/384863953.db2.gz PJTHDJDXMCURSE-UHFFFAOYSA-N 0 1 249.310 2.442 20 0 BEADMN O=C(CN1C2CCC1CC2)Nc1ccccc1 ZINC000648211944 384866794 /nfs/dbraw/zinc/86/67/94/384866794.db2.gz RAGYDACMLQJLSN-UHFFFAOYSA-N 0 1 230.311 2.252 20 0 BEADMN C[C@@H]1C[C@H](O)CN1c1ccnc2ccccc21 ZINC000336057182 384866818 /nfs/dbraw/zinc/86/68/18/384866818.db2.gz IPQVOTFQMCUJBR-MNOVXSKESA-N 0 1 228.295 2.194 20 0 BEADMN CSc1nc(-c2ccccc2F)n[nH]1 ZINC000057519548 384949543 /nfs/dbraw/zinc/94/95/43/384949543.db2.gz ZMCVNRQMARMRID-UHFFFAOYSA-N 0 1 209.249 2.333 20 0 BEADMN Clc1cccc2c1OC[C@@H]2N[C@H]1CCOC1 ZINC000369438492 384961115 /nfs/dbraw/zinc/96/11/15/384961115.db2.gz FJUDYCGSDBQTSK-KWQFWETISA-N 0 1 239.702 2.152 20 0 BEADMN CCC[C@](C)(O)CN[C@@H](C)c1cc(C)on1 ZINC000289617748 384894119 /nfs/dbraw/zinc/89/41/19/384894119.db2.gz GQHNKERARSAAMW-JQWIXIFHSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1nnc([C@H](C)NCC[C@H](C)F)s1 ZINC000308663053 384898344 /nfs/dbraw/zinc/89/83/44/384898344.db2.gz RBXUQMXKEANAKW-BQBZGAKWSA-N 0 1 217.313 2.245 20 0 BEADMN CN(CN1CC(C)(C)OC1=O)C1CC(C)(C)C1 ZINC000497236263 384904304 /nfs/dbraw/zinc/90/43/04/384904304.db2.gz MAKYQTTUZPDONV-UHFFFAOYSA-N 0 1 240.347 2.295 20 0 BEADMN Cc1ccnc(NC[C@@H](C)C[C@H](C)O)c1 ZINC000301633509 384904815 /nfs/dbraw/zinc/90/48/15/384904815.db2.gz JYQMHDGBMWLPPF-QWRGUYRKSA-N 0 1 208.305 2.209 20 0 BEADMN CCCC[C@](C)(CO)NCc1cscn1 ZINC000647239992 384912004 /nfs/dbraw/zinc/91/20/04/384912004.db2.gz WYMZJEYJVJTUNZ-LLVKDONJSA-N 0 1 228.361 2.174 20 0 BEADMN CC(C)CC(C)(C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000175456322 384914516 /nfs/dbraw/zinc/91/45/16/384914516.db2.gz LORPLWOXVVAXNW-SECBINFHSA-N 0 1 238.335 2.054 20 0 BEADMN CC(C)c1nnc(NC2CCN(C)CC2)s1 ZINC000301736323 384914421 /nfs/dbraw/zinc/91/44/21/384914421.db2.gz RIDVJKHXUWBUMS-UHFFFAOYSA-N 0 1 240.376 2.168 20 0 BEADMN c1ccc2c(c1)COC[C@H]2NCc1cccnc1 ZINC000225980483 384915400 /nfs/dbraw/zinc/91/54/00/384915400.db2.gz RYAJEWAQZRPQCI-OAHLLOKOSA-N 0 1 240.306 2.443 20 0 BEADMN C[S@](=O)c1ccc(CNC(C)(C)CF)cc1 ZINC000309924434 384916596 /nfs/dbraw/zinc/91/65/96/384916596.db2.gz UPXYZZXXECZVSE-INIZCTEOSA-N 0 1 243.347 2.262 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C(CC)CC ZINC000448209262 384921527 /nfs/dbraw/zinc/92/15/27/384921527.db2.gz PFSSKCYUIIDOJA-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1csc(CNC[C@H](O)CCC(C)C)n1 ZINC000644516188 384930266 /nfs/dbraw/zinc/93/02/66/384930266.db2.gz LCINNHXMZOWQDO-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN CC(C)(C)OC(=O)CN1CC[C@@H]2CCC[C@H]21 ZINC000312955421 384931363 /nfs/dbraw/zinc/93/13/63/384931363.db2.gz NMPSWRHOFCMLNF-WDEREUQCSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCC(C)C ZINC000258649966 384936861 /nfs/dbraw/zinc/93/68/61/384936861.db2.gz AAFRHMGPLAFCNZ-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN C[C@@H](NCCCCCF)c1csnn1 ZINC000398335961 384938732 /nfs/dbraw/zinc/93/87/32/384938732.db2.gz PDAGRUGWYBVPFQ-MRVPVSSYSA-N 0 1 217.313 2.329 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCOC[C@H]2C)o1 ZINC000300829226 384965104 /nfs/dbraw/zinc/96/51/04/384965104.db2.gz HIFHWFAVJWLZRY-DVVUODLYSA-N 0 1 224.304 2.059 20 0 BEADMN CC(C)c1cc(CNC[C@@H](O)C(C)(C)C)on1 ZINC000644567897 384967394 /nfs/dbraw/zinc/96/73/94/384967394.db2.gz PDISURGUCSHTCT-GFCCVEGCSA-N 0 1 240.347 2.295 20 0 BEADMN CSC[C@H](CCO)NCc1ccc(Cl)o1 ZINC000164348309 384968161 /nfs/dbraw/zinc/96/81/61/384968161.db2.gz KJPMARVLRWNVLL-QMMMGPOBSA-N 0 1 249.763 2.137 20 0 BEADMN CN(Cc1ccns1)C[C@@H]1CCCC[C@H]1O ZINC000404372625 384972619 /nfs/dbraw/zinc/97/26/19/384972619.db2.gz CLBULIFVHVZZFZ-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H](NCCOCC1CC1)c1nccs1 ZINC000129200455 384984087 /nfs/dbraw/zinc/98/40/87/384984087.db2.gz CNWGQAAAXDKKAK-VIFPVBQESA-N 0 1 226.345 2.220 20 0 BEADMN C[N@@H+](CCO)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361587484 384987411 /nfs/dbraw/zinc/98/74/11/384987411.db2.gz JUHYJJIKYPQATQ-RKDXNWHRSA-N 0 1 225.254 2.032 20 0 BEADMN Cc1ccc(CN2CCC(O)CC2)cc1F ZINC000128066168 384990213 /nfs/dbraw/zinc/99/02/13/384990213.db2.gz UOAGFFRDLIIQCI-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCC[C@H]2O)sn1 ZINC000404426142 384992329 /nfs/dbraw/zinc/99/23/29/384992329.db2.gz ZCFHWTABLXFWAM-ZYHUDNBSSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1ccoc1CN(C)C[C@@H]1CCCO1 ZINC000128089982 384992735 /nfs/dbraw/zinc/99/27/35/384992735.db2.gz WPSNOFWVKNAOAW-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN Cc1csc([C@H](C)NC[C@@H](O)C(C)C)n1 ZINC000300844876 384998138 /nfs/dbraw/zinc/99/81/38/384998138.db2.gz FXUICEBUKAVCGQ-VHSXEESVSA-N 0 1 228.361 2.119 20 0 BEADMN CC[N@@H+](CCCc1ccccc1)CCC(=O)[O-] ZINC000038024834 385000199 /nfs/dbraw/zinc/00/01/99/385000199.db2.gz MEXRBGNPKUXZQR-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN c1cc(CNCCOCc2ccccc2)sn1 ZINC000404459171 385002983 /nfs/dbraw/zinc/00/29/83/385002983.db2.gz PHSGYWMBEMPVCM-UHFFFAOYSA-N 0 1 248.351 2.450 20 0 BEADMN Cc1nnc(CN[C@]2(C)CCCC[C@@H]2C)o1 ZINC000308708087 385007616 /nfs/dbraw/zinc/00/76/16/385007616.db2.gz KNHHZRUGLWUHNC-JOYOIKCWSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nc(CN[C@@H](C)c2cccs2)n[nH]1 ZINC000129837025 385014501 /nfs/dbraw/zinc/01/45/01/385014501.db2.gz ORQMLIUTVRRYTB-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN COC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000129911304 385014878 /nfs/dbraw/zinc/01/48/78/385014878.db2.gz IDMPTZJDOZWBBP-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN Cc1noc([C@@H](C)N[C@H](C)C2CCC2)n1 ZINC000332051407 385020873 /nfs/dbraw/zinc/02/08/73/385020873.db2.gz ZQSPRIWXHLJLDW-HTQZYQBOSA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CC1CCCC1 ZINC000647461140 385048195 /nfs/dbraw/zinc/04/81/95/385048195.db2.gz ZCACWHTYYAPIPJ-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN c1nc(CN2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000176253492 385048491 /nfs/dbraw/zinc/04/84/91/385048491.db2.gz CSRPOZPXTLTVAC-UWVGGRQHSA-N 0 1 208.330 2.375 20 0 BEADMN C[C@H](NC1CCC(F)(F)CC1)c1ncn(C)n1 ZINC000647300730 385063981 /nfs/dbraw/zinc/06/39/81/385063981.db2.gz VYXCWRURVXSENN-QMMMGPOBSA-N 0 1 244.289 2.044 20 0 BEADMN CS[C@H](C)CN[C@H](C)c1cc(C)on1 ZINC000279166949 385064571 /nfs/dbraw/zinc/06/45/71/385064571.db2.gz CBOLZCPMOQYXOQ-RKDXNWHRSA-N 0 1 214.334 2.385 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000648273999 385065172 /nfs/dbraw/zinc/06/51/72/385065172.db2.gz DWXGTDPNOQXVGP-YRGRVCCFSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCC(F)F)n1 ZINC000647134153 385065467 /nfs/dbraw/zinc/06/54/67/385065467.db2.gz JAEHEIXMPVLVEE-SSDOTTSWSA-N 0 1 233.262 2.313 20 0 BEADMN CCc1ccc(CNC[C@](C)(O)c2ccco2)o1 ZINC000150840170 385067168 /nfs/dbraw/zinc/06/71/68/385067168.db2.gz IRJDCEWXMPPXRE-AWEZNQCLSA-N 0 1 249.310 2.432 20 0 BEADMN CCC1(CC)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000188596342 385067645 /nfs/dbraw/zinc/06/76/45/385067645.db2.gz RCMMAXOCBDSXEL-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN CCC1(C)CN(C(=O)c2ccc(F)cc2O)C1 ZINC000335319138 385069157 /nfs/dbraw/zinc/06/91/57/385069157.db2.gz FIHROFMOVBKLDQ-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CCc1cccc(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000188684312 385079303 /nfs/dbraw/zinc/07/93/03/385079303.db2.gz UAIZDTPPABYVHX-CQSZACIVSA-N 0 1 246.354 2.089 20 0 BEADMN C[C@@H](CC[S@](C)=O)NCc1ccc(Cl)o1 ZINC000131317689 385081812 /nfs/dbraw/zinc/08/18/12/385081812.db2.gz YUKUETNCKZUYRD-VXJOIVPMSA-N 0 1 249.763 2.180 20 0 BEADMN C[C@H](CC[S@@](C)=O)NCc1ccc(Cl)o1 ZINC000131318399 385082117 /nfs/dbraw/zinc/08/21/17/385082117.db2.gz YUKUETNCKZUYRD-GLEZIHRCSA-N 0 1 249.763 2.180 20 0 BEADMN CCO[C@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000644626912 385024574 /nfs/dbraw/zinc/02/45/74/385024574.db2.gz CVUWFNAIRDBLKC-OLZOCXBDSA-N 0 1 249.358 2.347 20 0 BEADMN CN(Cc1cccc(F)c1N)C[C@H]1CCCO1 ZINC000156355951 385032203 /nfs/dbraw/zinc/03/22/03/385032203.db2.gz UJSDPPVTDFOGHB-LLVKDONJSA-N 0 1 238.306 2.019 20 0 BEADMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccncc1 ZINC000358376620 385035752 /nfs/dbraw/zinc/03/57/52/385035752.db2.gz RYOAXCVDRPSFHI-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](O)CNCc1cc(F)c(Cl)cc1F ZINC000644634840 385038216 /nfs/dbraw/zinc/03/82/16/385038216.db2.gz BXUWWUWIGCAKAL-ZCFIWIBFSA-N 0 1 235.661 2.089 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176206284 385039145 /nfs/dbraw/zinc/03/91/45/385039145.db2.gz DVVOSEFHRBFBMN-ZJUUUORDSA-N 0 1 238.335 2.054 20 0 BEADMN CC[C@@H](CC(=O)N[C@@H](C)c1nnc[nH]1)C(C)C ZINC000176206667 385041520 /nfs/dbraw/zinc/04/15/20/385041520.db2.gz JHYNMYGKLIEXTP-UWVGGRQHSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1ccc2nc(NC(=O)c3cocn3)[nH]c2c1 ZINC000646983259 385114968 /nfs/dbraw/zinc/11/49/68/385114968.db2.gz LLHHSMIDXXHJSD-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@@]12CCN(CC(F)F)C[C@@H]1C2(F)F ZINC000644702074 385118500 /nfs/dbraw/zinc/11/85/00/385118500.db2.gz CHFZVCJYZSYIBY-POYBYMJQSA-N 0 1 211.202 2.229 20 0 BEADMN C[C@@H]1[C@@H](C)N(c2nc3ccccc3o2)CCN1C ZINC000336340799 385121509 /nfs/dbraw/zinc/12/15/09/385121509.db2.gz IAFMHUYMYVAURR-GHMZBOCLSA-N 0 1 245.326 2.357 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nnc(C)o1 ZINC000177847637 385127669 /nfs/dbraw/zinc/12/76/69/385127669.db2.gz ZCKZSUFYYOHXMU-VIFPVBQESA-N 0 1 211.309 2.246 20 0 BEADMN CCCn1ncnc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000447851970 385132758 /nfs/dbraw/zinc/13/27/58/385132758.db2.gz WUDMQEFDLHNVBX-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CCCn1ncnc1CN1CCC[C@@H]1C(C)C ZINC000447851970 385132763 /nfs/dbraw/zinc/13/27/63/385132763.db2.gz WUDMQEFDLHNVBX-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CCO[C@@H]3C[C@@H]32)C1 ZINC000644717312 385135962 /nfs/dbraw/zinc/13/59/62/385135962.db2.gz LNWUCDODSHNSTO-MROQNXINSA-N 0 1 209.333 2.286 20 0 BEADMN Cc1cc(CN2CCC(C3CC3)CC2)nn1C ZINC000644719406 385138854 /nfs/dbraw/zinc/13/88/54/385138854.db2.gz VJHYYWARWRAYSS-UHFFFAOYSA-N 0 1 233.359 2.351 20 0 BEADMN Cc1noc(C)c1N(C)Cc1n[nH]c(C(C)C)n1 ZINC000644677147 385089851 /nfs/dbraw/zinc/08/98/51/385089851.db2.gz UWDCJHZLLKLBPW-UHFFFAOYSA-N 0 1 249.318 2.169 20 0 BEADMN CCc1cccc2c1N(Cc1n[nH]c(C)n1)CC2 ZINC000644676667 385090875 /nfs/dbraw/zinc/09/08/75/385090875.db2.gz WNQJOKVZJHGOQG-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](C(F)F)C2)cn1 ZINC000644680002 385093547 /nfs/dbraw/zinc/09/35/47/385093547.db2.gz JDSJMTNSBZYOFN-NXEZZACHSA-N 0 1 241.285 2.433 20 0 BEADMN CC(C)c1nnc(CN2CCC3(CC3)CC2)[nH]1 ZINC000644679554 385094239 /nfs/dbraw/zinc/09/42/39/385094239.db2.gz WMFIKQMHLJEPKK-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN CC[C@@H](NCc1cn[nH]n1)c1ccc(C)cc1 ZINC000398340513 385096335 /nfs/dbraw/zinc/09/63/35/385096335.db2.gz DBGBEXDHHPBAEG-CYBMUJFWSA-N 0 1 230.315 2.354 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H](C)[C@H](F)C2)n[nH]1 ZINC000644682190 385097007 /nfs/dbraw/zinc/09/70/07/385097007.db2.gz NQSRMOCSOGMEGD-NXEZZACHSA-N 0 1 240.326 2.108 20 0 BEADMN CCc1ccccc1C[N@@H+](CCO)C1CC1 ZINC000188837422 385097510 /nfs/dbraw/zinc/09/75/10/385097510.db2.gz SOFGYZMROQHXHT-UHFFFAOYSA-N 0 1 219.328 2.206 20 0 BEADMN CCc1ccc([C@H](COC)N[C@H](C)COC)o1 ZINC000165319385 385105489 /nfs/dbraw/zinc/10/54/89/385105489.db2.gz UGLMRBJBKXDNNY-PWSUYJOCSA-N 0 1 241.331 2.154 20 0 BEADMN CCc1cnc(CN[C@@H]2CC23CC3)s1 ZINC000424188166 385107700 /nfs/dbraw/zinc/10/77/00/385107700.db2.gz XETVOMIUXZNUQY-SECBINFHSA-N 0 1 208.330 2.348 20 0 BEADMN CC(C)[C@](C)(O)CNCc1ncc(Cl)s1 ZINC000308818743 385188307 /nfs/dbraw/zinc/18/83/07/385188307.db2.gz BTALSOZIZDUTIT-SNVBAGLBSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@H](N[C@@H](CO)c1ccccc1)c1cccnc1 ZINC000062999341 385199350 /nfs/dbraw/zinc/19/93/50/385199350.db2.gz JBEOZLUMOKJWDF-WFASDCNBSA-N 0 1 242.322 2.466 20 0 BEADMN c1cncc(-c2n[nH]c(SCC3CC3)n2)c1 ZINC000129890156 385199401 /nfs/dbraw/zinc/19/94/01/385199401.db2.gz XAVOZUSWYHQUFA-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CC23CC3)c2nccn21 ZINC000424332453 385148166 /nfs/dbraw/zinc/14/81/66/385148166.db2.gz WKJJPYGTCPEXTR-OPRDCNLKSA-N 0 1 203.289 2.031 20 0 BEADMN C[C@H](N(C)Cc1nccn1C)C1(C)CC1 ZINC000177221397 385200175 /nfs/dbraw/zinc/20/01/75/385200175.db2.gz AYFFPKIUSLUKAM-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN COC[C@@H]1CN(Cc2ccc(C)cc2)C[C@H](C)O1 ZINC000189436565 385155172 /nfs/dbraw/zinc/15/51/72/385155172.db2.gz HAPDKHZMKXAXMW-ZFWWWQNUSA-N 0 1 249.354 2.231 20 0 BEADMN Cc1cc(CN2CCCC[C@H]2C[C@@H](C)O)no1 ZINC000123752752 385160803 /nfs/dbraw/zinc/16/08/03/385160803.db2.gz RSDYXZGTBYLYFQ-MFKMUULPSA-N 0 1 238.331 2.108 20 0 BEADMN COC[C@@H]1CCCN(Cc2csc(C)n2)C1 ZINC000062161129 385163365 /nfs/dbraw/zinc/16/33/65/385163365.db2.gz CLIVNVKMXYQQEE-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@H](N[C@@H]1CC12CC2)c1nccn1C ZINC000424324317 385166471 /nfs/dbraw/zinc/16/64/71/385166471.db2.gz MSWXKEDENZMCMF-VHSXEESVSA-N 0 1 205.305 2.013 20 0 BEADMN CC[C@@H](N[C@@H]1CC12CC2)c1nccn1C ZINC000424324311 385166862 /nfs/dbraw/zinc/16/68/62/385166862.db2.gz MSWXKEDENZMCMF-NXEZZACHSA-N 0 1 205.305 2.013 20 0 BEADMN CC[C@]1(CO)CCCN1Cc1ncc(C)s1 ZINC000189619668 385170734 /nfs/dbraw/zinc/17/07/34/385170734.db2.gz IEALIQHMTBZQHS-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN CCOCCN1CCc2c(F)cccc2C1 ZINC000152769448 385210819 /nfs/dbraw/zinc/21/08/19/385210819.db2.gz FSBZFWGEVUJSPM-UHFFFAOYSA-N 0 1 223.291 2.220 20 0 BEADMN Cc1cc(CNC(=O)c2ccsc2C)n[nH]1 ZINC000648329729 385214984 /nfs/dbraw/zinc/21/49/84/385214984.db2.gz JYAISAWTAGNBAL-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1cc(CNC(=O)C(C)(C)C2CCC2)n[nH]1 ZINC000648329746 385215991 /nfs/dbraw/zinc/21/59/91/385215991.db2.gz MYMNNOBAUACPKU-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000177291645 385216857 /nfs/dbraw/zinc/21/68/57/385216857.db2.gz PWDZTLFDAHKTGD-NSHDSACASA-N 0 1 249.358 2.334 20 0 BEADMN CCc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)n[nH]1 ZINC000110713240 385256715 /nfs/dbraw/zinc/25/67/15/385256715.db2.gz CAUDYNCHHIJFLW-UWVGGRQHSA-N 0 1 235.331 2.375 20 0 BEADMN CN(Cc1cccnc1Cl)C[C@H]1CCOC1 ZINC000178353001 385234922 /nfs/dbraw/zinc/23/49/22/385234922.db2.gz CVQXWHWMZLUMLG-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN CN(Cc1ccncc1)C[C@H]1CCCCO1 ZINC000130272533 385235938 /nfs/dbraw/zinc/23/59/38/385235938.db2.gz KSMJEWRVCAOKFU-CYBMUJFWSA-N 0 1 220.316 2.083 20 0 BEADMN O=C(C=C1CCC1)Nc1ccc2[nH]nnc2c1 ZINC000153125565 385238108 /nfs/dbraw/zinc/23/81/08/385238108.db2.gz MXWBWNRDFMMGSS-UHFFFAOYSA-N 0 1 228.255 2.007 20 0 BEADMN CSCCN[C@@H](C)c1csc(C)n1 ZINC000068993793 385238625 /nfs/dbraw/zinc/23/86/25/385238625.db2.gz MQZZXYHPVQQUJV-ZETCQYMHSA-N 0 1 216.375 2.465 20 0 BEADMN CCN(C)Cc1ccc(OC)c(OC)c1OC ZINC000153377218 385250697 /nfs/dbraw/zinc/25/06/97/385250697.db2.gz HLYVDQZIBMHOFA-UHFFFAOYSA-N 0 1 239.315 2.164 20 0 BEADMN Cc1cccc(NC[C@@H]2CCC[C@@H](O)C2)n1 ZINC000157694956 385251254 /nfs/dbraw/zinc/25/12/54/385251254.db2.gz BBCMUMPMOOCRIO-VXGBXAGGSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1nc(CN[C@H](CO)C2CCCC2)cs1 ZINC000289706421 385253759 /nfs/dbraw/zinc/25/37/59/385253759.db2.gz YHPOFQDHVCKGOO-GFCCVEGCSA-N 0 1 240.372 2.092 20 0 BEADMN Cn1ncc(Cl)c1CNCCC(F)(F)F ZINC000308899949 385253840 /nfs/dbraw/zinc/25/38/40/385253840.db2.gz BNTSUEFUTAQXRG-UHFFFAOYSA-N 0 1 241.644 2.116 20 0 BEADMN Cc1nc(CN2CCC[C@@H](O)CC2)c(C)s1 ZINC000336375608 385205242 /nfs/dbraw/zinc/20/52/42/385205242.db2.gz VOAGGCDMNSVADM-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN CCOCCOCCN(C)Cc1ccsc1 ZINC000191571765 385307081 /nfs/dbraw/zinc/30/70/81/385307081.db2.gz LNSOJGJWCZECPX-UHFFFAOYSA-N 0 1 243.372 2.233 20 0 BEADMN O=C(CC1CCC1)Nc1ccc2[nH]nnc2c1 ZINC000153464107 385258721 /nfs/dbraw/zinc/25/87/21/385258721.db2.gz YCSDKXOEGIPEQU-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN Cc1nnc([C@@H](C)NC2(C(C)C)CC2)o1 ZINC000331474836 385259185 /nfs/dbraw/zinc/25/91/85/385259185.db2.gz KNMQFNQCWDUACJ-MRVPVSSYSA-N 0 1 209.293 2.217 20 0 BEADMN CC(C)n1nccc1CN[C@H](C)c1cn[nH]c1 ZINC000280150708 385259853 /nfs/dbraw/zinc/25/98/53/385259853.db2.gz FEAXTDLFNTUEKH-SNVBAGLBSA-N 0 1 233.319 2.038 20 0 BEADMN Cc1ccc(CNc2cc3c(cn2)CCC3)cn1 ZINC000334258733 385261098 /nfs/dbraw/zinc/26/10/98/385261098.db2.gz SJBUREDHFNRYAZ-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN CCC1CCC(NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC000154394628 385322176 /nfs/dbraw/zinc/32/21/76/385322176.db2.gz RNGFRJDNWCIOCD-UHFFFAOYSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1CSC1(C)C ZINC000308902447 385273248 /nfs/dbraw/zinc/27/32/48/385273248.db2.gz BQNKICRUFYXOSG-SNVBAGLBSA-N 0 1 226.345 2.275 20 0 BEADMN COC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccco1 ZINC000191088701 385284660 /nfs/dbraw/zinc/28/46/60/385284660.db2.gz FQUCQISCFDIOIC-WOPDTQHZSA-N 0 1 239.315 2.124 20 0 BEADMN CN(CCC1CC1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000153950199 385293433 /nfs/dbraw/zinc/29/34/33/385293433.db2.gz LALGHHUJQUGFLC-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN COC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000308925110 385295966 /nfs/dbraw/zinc/29/59/66/385295966.db2.gz ICCRFTOLZZAVBK-SECBINFHSA-N 0 1 212.293 2.059 20 0 BEADMN c1nc2c(ncnc2NCC2=CCCCC2)[nH]1 ZINC000294895961 385299163 /nfs/dbraw/zinc/29/91/63/385299163.db2.gz HPTPDKZTLHYWMF-UHFFFAOYSA-N 0 1 229.287 2.265 20 0 BEADMN CC[C@H](CO)N(C)Cc1cc(O)ccc1Cl ZINC000625449494 385301207 /nfs/dbraw/zinc/30/12/07/385301207.db2.gz CMYPUMONWHBHFA-SNVBAGLBSA-N 0 1 243.734 2.248 20 0 BEADMN CN(Cc1ccco1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191877811 385331256 /nfs/dbraw/zinc/33/12/56/385331256.db2.gz LIJZHFHLRCPHIR-GFCCVEGCSA-N 0 1 249.310 2.197 20 0 BEADMN COC(=O)c1coc(CN2CC3CCC2CC3)c1 ZINC000364305916 385340598 /nfs/dbraw/zinc/34/05/98/385340598.db2.gz QBUBEUPQTUOYTA-UHFFFAOYSA-N 0 1 249.310 2.441 20 0 BEADMN C/C(=C\C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000178188279 385343092 /nfs/dbraw/zinc/34/30/92/385343092.db2.gz BQQJLLMFMSBSMM-ZKXNXJMVSA-N 0 1 247.342 2.122 20 0 BEADMN CC(C)c1ccc(CN(C)[C@H]2CCNC2=O)cc1 ZINC000178282640 385349995 /nfs/dbraw/zinc/34/99/95/385349995.db2.gz DPAUBZACXVACFT-AWEZNQCLSA-N 0 1 246.354 2.130 20 0 BEADMN C[N@H+](Cc1ccoc1)C[C@@H](O)CC(F)(F)F ZINC000307935292 385350876 /nfs/dbraw/zinc/35/08/76/385350876.db2.gz KVHNCDXUZXWNLS-VIFPVBQESA-N 0 1 237.221 2.025 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cnccc1C ZINC000131671676 385353878 /nfs/dbraw/zinc/35/38/78/385353878.db2.gz OVZJYDXVXXMVNV-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cnccc1C ZINC000131671884 385354439 /nfs/dbraw/zinc/35/44/39/385354439.db2.gz OVZJYDXVXXMVNV-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN FCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000178331934 385356219 /nfs/dbraw/zinc/35/62/19/385356219.db2.gz SBXPBDCAPDRLLC-UHFFFAOYSA-N 0 1 243.351 2.015 20 0 BEADMN CC[N@H+](C/C=C\c1ccccc1)CCO ZINC000206358629 385389766 /nfs/dbraw/zinc/38/97/66/385389766.db2.gz GATXSOYQSSTFAV-TWGQIWQCSA-N 0 1 205.301 2.014 20 0 BEADMN CC[N@H+](CC1CC1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586800 385364248 /nfs/dbraw/zinc/36/42/48/385364248.db2.gz NAQZJJXYGVDBOB-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN CC[N@@H+](CC1CC1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586800 385364252 /nfs/dbraw/zinc/36/42/52/385364252.db2.gz NAQZJJXYGVDBOB-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(C(=O)N(CC2CCC2)C(C)C)n[nH]1 ZINC000192780997 385370087 /nfs/dbraw/zinc/37/00/87/385370087.db2.gz GZHITBSIUXCJGG-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CCOCCNC(C)(C)c1ncc(C)s1 ZINC000183918738 385380665 /nfs/dbraw/zinc/38/06/65/385380665.db2.gz OTMWOGMDJLOJDI-UHFFFAOYSA-N 0 1 228.361 2.313 20 0 BEADMN CC(C)n1nccc1CN[C@@H](C)c1cnn(C)c1 ZINC000280884857 385380922 /nfs/dbraw/zinc/38/09/22/385380922.db2.gz NMDWOXHBCOXBNN-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN FCCN[C@H](c1cccnc1)C1CCC1 ZINC000280971050 385386608 /nfs/dbraw/zinc/38/66/08/385386608.db2.gz ILOFNDFBBZQHQA-LBPRGKRZSA-N 0 1 208.280 2.482 20 0 BEADMN CCOCCNC(C)(C)c1nc(C)cs1 ZINC000309056411 385394569 /nfs/dbraw/zinc/39/45/69/385394569.db2.gz UOTCUBMAAQCJGL-UHFFFAOYSA-N 0 1 228.361 2.313 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408011536 385397446 /nfs/dbraw/zinc/39/74/46/385397446.db2.gz XQYOYBNBOPVYNN-ZJUUUORDSA-N 0 1 239.319 2.001 20 0 BEADMN FCCN[C@H]1CCCNc2ccccc21 ZINC000281143378 385405778 /nfs/dbraw/zinc/40/57/78/385405778.db2.gz UUBUAFBLJLDPGE-LBPRGKRZSA-N 0 1 208.280 2.493 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(Cl)cn1 ZINC000309075293 385405901 /nfs/dbraw/zinc/40/59/01/385405901.db2.gz JMLBAPIGZARSCU-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN CCOCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000181584449 385409171 /nfs/dbraw/zinc/40/91/71/385409171.db2.gz XOBOMUYKDIGSCA-OAHLLOKOSA-N 0 1 248.370 2.012 20 0 BEADMN CC/C=C/CNCc1cccc(OC)n1 ZINC000295075841 385419491 /nfs/dbraw/zinc/41/94/91/385419491.db2.gz RKKYHEJIIUCGRQ-SNAWJCMRSA-N 0 1 206.289 2.146 20 0 BEADMN C=Cn1cc(C[N@@H+](C)CCC2CC2)cn1 ZINC000194079316 385422350 /nfs/dbraw/zinc/42/23/50/385422350.db2.gz BHLSZDVDTLEQSV-UHFFFAOYSA-N 0 1 205.305 2.216 20 0 BEADMN C=Cn1cc(C[N@@H+]2CC[C@@H](CC)C2)cn1 ZINC000194065113 385423337 /nfs/dbraw/zinc/42/33/37/385423337.db2.gz XJITYBTUZUMFCZ-LLVKDONJSA-N 0 1 205.305 2.216 20 0 BEADMN C1=CO[C@@H](CNc2ccc3nn[nH]c3c2)CC1 ZINC000194515795 385439599 /nfs/dbraw/zinc/43/95/99/385439599.db2.gz GNIWMLPVTHEVFX-SNVBAGLBSA-N 0 1 230.271 2.063 20 0 BEADMN C1=CO[C@@H](CNc2ccc3n[nH]nc3c2)CC1 ZINC000194515795 385439603 /nfs/dbraw/zinc/43/96/03/385439603.db2.gz GNIWMLPVTHEVFX-SNVBAGLBSA-N 0 1 230.271 2.063 20 0 BEADMN CC[C@](C)(NC[C@H](C)OC)c1nccs1 ZINC000182341403 385442151 /nfs/dbraw/zinc/44/21/51/385442151.db2.gz IUGGBQCNQGKKFQ-ONGXEEELSA-N 0 1 228.361 2.393 20 0 BEADMN C=Cn1cc(CN(C)CCc2ccccn2)cn1 ZINC000194628787 385442788 /nfs/dbraw/zinc/44/27/88/385442788.db2.gz VZUMUVDTCJMTCD-UHFFFAOYSA-N 0 1 242.326 2.053 20 0 BEADMN CN(Cc1cccc(F)c1N)C[C@@H]1CCCO1 ZINC000156355810 385447670 /nfs/dbraw/zinc/44/76/70/385447670.db2.gz UJSDPPVTDFOGHB-NSHDSACASA-N 0 1 238.306 2.019 20 0 BEADMN COC[C@H](N[C@@H]1CCCOC1)c1ccc(C)o1 ZINC000156486344 385455496 /nfs/dbraw/zinc/45/54/96/385455496.db2.gz JUQRFAUICIYWQQ-NEPJUHHUSA-N 0 1 239.315 2.044 20 0 BEADMN c1c[nH]c([C@@H](NC2CCCC2)c2cccnc2)n1 ZINC000194958861 385455558 /nfs/dbraw/zinc/45/55/58/385455558.db2.gz IYJKWDLSFDGLPB-ZDUSSCGKSA-N 0 1 242.326 2.426 20 0 BEADMN C=Cn1cc(CNCc2cccc(F)c2)cn1 ZINC000194344570 385431664 /nfs/dbraw/zinc/43/16/64/385431664.db2.gz FNHVACIFFABGEM-UHFFFAOYSA-N 0 1 231.274 2.413 20 0 BEADMN CC[C@@H](NCc1cc(C)on1)[C@H]1CCCO1 ZINC000182307369 385437531 /nfs/dbraw/zinc/43/75/31/385437531.db2.gz ACDWGBUXHULOMR-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN CN(C/C=C/Cl)CCC(=O)OC(C)(C)C ZINC000156874648 385470303 /nfs/dbraw/zinc/47/03/03/385470303.db2.gz QBBBAOAZLUSSED-FNORWQNLSA-N 0 1 233.739 2.403 20 0 BEADMN CCONC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000179565195 385474155 /nfs/dbraw/zinc/47/41/55/385474155.db2.gz HXLLAUVWGMKLME-LBPRGKRZSA-N 0 1 219.284 2.248 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1cc2ccccc2o1 ZINC000171250848 385475697 /nfs/dbraw/zinc/47/56/97/385475697.db2.gz DCYYEZYHMAEXJG-JTQLQIEISA-N 0 1 246.310 2.172 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927928 385488383 /nfs/dbraw/zinc/48/83/83/385488383.db2.gz UMXKTPFJWPWTEC-JTQLQIEISA-N 0 1 237.347 2.440 20 0 BEADMN Cn1cccc1[C@@H]1CCCN1Cc1ccnn1C ZINC000179708318 385485815 /nfs/dbraw/zinc/48/58/15/385485815.db2.gz OIKXUDAPVZAMAW-AWEZNQCLSA-N 0 1 244.342 2.096 20 0 BEADMN COCc1cnc(CN[C@H]2CC[C@H]2C)s1 ZINC000309198073 385460573 /nfs/dbraw/zinc/46/05/73/385460573.db2.gz QVPSKZUWMOJNOC-SCZZXKLOSA-N 0 1 226.345 2.178 20 0 BEADMN CN(CC(=O)c1cccn1C)C(C1CC1)C1CC1 ZINC000195228594 385463331 /nfs/dbraw/zinc/46/33/31/385463331.db2.gz QDOAXYFFQRLSQD-UHFFFAOYSA-N 0 1 246.354 2.328 20 0 BEADMN COC(=O)c1coc(CN2CCCC[C@H]2C)c1 ZINC000171028936 385463973 /nfs/dbraw/zinc/46/39/73/385463973.db2.gz ONNCUXBLTZXGBA-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2)C[C@H](C)O1 ZINC000111273733 385498639 /nfs/dbraw/zinc/49/86/39/385498639.db2.gz MSCXVQPAQLAMPG-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H](C)[C@@H](C)NCc1nc(C2CC2)no1 ZINC000183040051 385501581 /nfs/dbraw/zinc/50/15/81/385501581.db2.gz IXKCYADZOWFWRG-RKDXNWHRSA-N 0 1 223.320 2.471 20 0 BEADMN CC[C@@H](C)Nc1ccc(N2CCOCC2)nc1C ZINC000180046889 385504876 /nfs/dbraw/zinc/50/48/76/385504876.db2.gz FXUMBSPCCNIOGK-LLVKDONJSA-N 0 1 249.358 2.437 20 0 BEADMN CSC[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000282147997 385510456 /nfs/dbraw/zinc/51/04/56/385510456.db2.gz LAFALMNSYWFTPC-PSASIEDQSA-N 0 1 227.377 2.131 20 0 BEADMN C[C@](N[C@@H]1C=CCCC1)(C(N)=O)c1ccccc1 ZINC000171735637 385513538 /nfs/dbraw/zinc/51/35/38/385513538.db2.gz MWZPDCJGWUZIQO-UKRRQHHQSA-N 0 1 244.338 2.085 20 0 BEADMN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000108143350 385513878 /nfs/dbraw/zinc/51/38/78/385513878.db2.gz OCIQLXVXAWIJLO-OAHLLOKOSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@H](C(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000616927882 385489163 /nfs/dbraw/zinc/48/91/63/385489163.db2.gz SFGFSYVQGIUFTD-NSHDSACASA-N 0 1 243.310 2.172 20 0 BEADMN Cc1[nH]ncc1CN1CCc2ccccc21 ZINC000180545455 385529684 /nfs/dbraw/zinc/52/96/84/385529684.db2.gz DKZWRZQRSQUSHK-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN CN(Cc1cscn1)CC1CCOCC1 ZINC000171826054 385520861 /nfs/dbraw/zinc/52/08/61/385520861.db2.gz OPOCJCBVBCWJJT-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN COC[C@H]1CCCN(Cc2ncc(C)s2)C1 ZINC000180493537 385525763 /nfs/dbraw/zinc/52/57/63/385525763.db2.gz CEHVACDVUAUVRA-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000171867673 385526340 /nfs/dbraw/zinc/52/63/40/385526340.db2.gz KIQQPXYKWNXOIA-SECBINFHSA-N 0 1 235.331 2.405 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC23CCCCC3)[nH]n1 ZINC000181294596 385570098 /nfs/dbraw/zinc/57/00/98/385570098.db2.gz MEKZBZUCSLPXRS-GFCCVEGCSA-N 0 1 247.342 2.100 20 0 BEADMN FC(F)O[C@H]1CCCC[C@H]1NCc1cc[nH]n1 ZINC000337306552 385593320 /nfs/dbraw/zinc/59/33/20/385593320.db2.gz RVXHQVGBGCWYJM-ZJUUUORDSA-N 0 1 245.273 2.050 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCOCC(C)C ZINC000337321758 385596490 /nfs/dbraw/zinc/59/64/90/385596490.db2.gz COFQPMWOLLAZHU-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN CCc1cc(C)c(C(=O)Nc2n[nH]c(CC)n2)o1 ZINC000182280488 385597217 /nfs/dbraw/zinc/59/72/17/385597217.db2.gz YROOSIQWCRHTOX-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN CCc1cc(C)c(C(=O)Nc2nc(CC)n[nH]2)o1 ZINC000182280488 385597221 /nfs/dbraw/zinc/59/72/21/385597221.db2.gz YROOSIQWCRHTOX-UHFFFAOYSA-N 0 1 248.286 2.083 20 0 BEADMN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000414508521 385601902 /nfs/dbraw/zinc/60/19/02/385601902.db2.gz CTZJZTVTWSXRIM-VXGBXAGGSA-N 0 1 238.306 2.461 20 0 BEADMN CCOC[C@@H](C)NCc1oc(CC)nc1C ZINC000309477413 385602375 /nfs/dbraw/zinc/60/23/75/385602375.db2.gz SBXSBYUCKSMPSY-SECBINFHSA-N 0 1 226.320 2.060 20 0 BEADMN CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000108154472 385603799 /nfs/dbraw/zinc/60/37/99/385603799.db2.gz ZNZOCUQGJYBCDC-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccncc1CN(C)C[C@H]1CCCCO1 ZINC000269539918 385603972 /nfs/dbraw/zinc/60/39/72/385603972.db2.gz AKVLRGKWJINNMQ-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CN(C/C=C/Cl)CCc1ccncc1 ZINC000181495906 385581237 /nfs/dbraw/zinc/58/12/37/385581237.db2.gz NNLKFTJXKOFITB-QHHAFSJGSA-N 0 1 210.708 2.308 20 0 BEADMN CC(C)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181543446 385582603 /nfs/dbraw/zinc/58/26/03/385582603.db2.gz MGGKTTUTTHBSGT-CQSZACIVSA-N 0 1 219.328 2.338 20 0 BEADMN FCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181545205 385582794 /nfs/dbraw/zinc/58/27/94/385582794.db2.gz BOIMNDWRFXRGOX-AWEZNQCLSA-N 0 1 237.318 2.290 20 0 BEADMN FC(F)O[C@@H]1CCC[C@@H]1NCc1cscn1 ZINC000337305402 385591972 /nfs/dbraw/zinc/59/19/72/385591972.db2.gz RGPXJTUCDSPTJY-DTWKUNHWSA-N 0 1 248.298 2.393 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000309494236 385615932 /nfs/dbraw/zinc/61/59/32/385615932.db2.gz XYRGQKAMCBHVPZ-DTWKUNHWSA-N 0 1 240.372 2.317 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCC[C@H](C)C1 ZINC000309481105 385607990 /nfs/dbraw/zinc/60/79/90/385607990.db2.gz WSVODAOKLDFTNJ-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN CC1(C)CCC(C(=O)NCCN2CCC2)CC1 ZINC000337338576 385610000 /nfs/dbraw/zinc/61/00/00/385610000.db2.gz QKKZPZXNJLBUHB-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCN(CC)Cc1cc(C(=O)OC)ccc1F ZINC000181872817 385613226 /nfs/dbraw/zinc/61/32/26/385613226.db2.gz LCSRUZQLGMOEFI-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN Cc1nnc([C@H](C)NCC[C@@H]2CCCO2)s1 ZINC000309513091 385650713 /nfs/dbraw/zinc/65/07/13/385650713.db2.gz XWZSTUANLQBDAV-WPRPVWTQSA-N 0 1 241.360 2.066 20 0 BEADMN CC(C)CCC[S@](=O)C=C(O)c1ccc[nH]1 ZINC000182296475 385654350 /nfs/dbraw/zinc/65/43/50/385654350.db2.gz IYKFLLVIMJJTAV-INIZCTEOSA-N 0 1 241.356 2.382 20 0 BEADMN Cc1ncc(C(=O)N2CCCC[C@@H]2C(C)C)[nH]1 ZINC000270036983 385662636 /nfs/dbraw/zinc/66/26/36/385662636.db2.gz CGFKGDHIZBDMOP-GFCCVEGCSA-N 0 1 235.331 2.369 20 0 BEADMN CCC[C@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000337465990 385672173 /nfs/dbraw/zinc/67/21/73/385672173.db2.gz MMVUPZOKLVDMEH-KZWBYHQPSA-N 0 1 217.378 2.016 20 0 BEADMN CCc1nnc(NC(=O)C[C@H](C)CC(C)C)[nH]1 ZINC000182264315 385672678 /nfs/dbraw/zinc/67/26/78/385672678.db2.gz UYTYIFCRYFCTND-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H](C)CC(C)C)n1 ZINC000182264315 385672683 /nfs/dbraw/zinc/67/26/83/385672683.db2.gz UYTYIFCRYFCTND-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@@H]1SCCN1C(=O)c1cnc(C)[nH]1 ZINC000270129647 385672913 /nfs/dbraw/zinc/67/29/13/385672913.db2.gz SMFNHYMCEKOKGR-JTQLQIEISA-N 0 1 239.344 2.033 20 0 BEADMN Cc1nn(C(C)C)cc1CNCc1cccnc1 ZINC000281510765 385676828 /nfs/dbraw/zinc/67/68/28/385676828.db2.gz XHKDOBHFJQRMLH-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN COC[C@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000309545507 385679429 /nfs/dbraw/zinc/67/94/29/385679429.db2.gz GVDNIJHAJYKROH-GZMMTYOYSA-N 0 1 241.718 2.398 20 0 BEADMN CC(C)COCCN1CCO[C@H](C(C)(C)C)C1 ZINC000337475090 385680301 /nfs/dbraw/zinc/68/03/01/385680301.db2.gz RNAMBELYJDKNTD-ZDUSSCGKSA-N 0 1 243.391 2.406 20 0 BEADMN C[C@@H](NCc1ccc(F)cc1)c1cn[nH]c1 ZINC000229882273 385684765 /nfs/dbraw/zinc/68/47/65/385684765.db2.gz IMNRHKBKGBGXMK-SECBINFHSA-N 0 1 219.263 2.400 20 0 BEADMN CC(C)=CCN[C@]1(CO)CCOc2ccccc21 ZINC000281650507 385688652 /nfs/dbraw/zinc/68/86/52/385688652.db2.gz JTROJKMXMZLAAP-HNNXBMFYSA-N 0 1 247.338 2.213 20 0 BEADMN C[C@@H](NCC1OCCO1)c1cc2ccccc2o1 ZINC000182647862 385692439 /nfs/dbraw/zinc/69/24/39/385692439.db2.gz WCRLUDWKGVLXEU-SNVBAGLBSA-N 0 1 247.294 2.456 20 0 BEADMN CCC[C@@H](C)[C@@H](CC)NCC(F)(F)CO ZINC000184696880 385693775 /nfs/dbraw/zinc/69/37/75/385693775.db2.gz PRIDEFWKBRFYNN-NXEZZACHSA-N 0 1 223.307 2.418 20 0 BEADMN CCC[C@H](C)[C@@H](CC)NCC(F)(F)CO ZINC000184696896 385694363 /nfs/dbraw/zinc/69/43/63/385694363.db2.gz PRIDEFWKBRFYNN-VHSXEESVSA-N 0 1 223.307 2.418 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NCC(F)(F)CO ZINC000184703735 385697955 /nfs/dbraw/zinc/69/79/55/385697955.db2.gz JMTTXFLGXRFOKH-UWVGGRQHSA-N 0 1 221.291 2.172 20 0 BEADMN FC1(F)CCC[C@@H](NCc2cocn2)C1 ZINC000336735498 385700849 /nfs/dbraw/zinc/70/08/49/385700849.db2.gz OIRATOQIGWHABC-MRVPVSSYSA-N 0 1 216.231 2.342 20 0 BEADMN CCN(Cc1nccnc1OC)C1CC(C)(C)C1 ZINC000414540037 385705280 /nfs/dbraw/zinc/70/52/80/385705280.db2.gz TXOCHGDPNIKIMX-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CC(C)CCN(C(=O)c1cnc[nH]1)C1CC1 ZINC000265632255 385713313 /nfs/dbraw/zinc/71/33/13/385713313.db2.gz PNIJFNLZLUAWJF-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)[C@@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000366598375 385669189 /nfs/dbraw/zinc/66/91/89/385669189.db2.gz BVXVWYFRTPSHMY-MNOVXSKESA-N 0 1 240.372 2.297 20 0 BEADMN CC(C)c1noc(OCCN2CCCCC2)n1 ZINC000337484536 385671338 /nfs/dbraw/zinc/67/13/38/385671338.db2.gz XSTXDIOSJOFOQC-UHFFFAOYSA-N 0 1 239.319 2.058 20 0 BEADMN Cc1nccc(N(C)CC[C@@H](C)O)c1Cl ZINC000336692081 385732306 /nfs/dbraw/zinc/73/23/06/385732306.db2.gz NAEZPHMGHVAUSJ-MRVPVSSYSA-N 0 1 228.723 2.251 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000116392331 385733227 /nfs/dbraw/zinc/73/32/27/385733227.db2.gz YFKMEYSZPZOVEI-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccsc1 ZINC000309602548 385736853 /nfs/dbraw/zinc/73/68/53/385736853.db2.gz XZDBHNLYBRFFIC-ONGXEEELSA-N 0 1 238.356 2.020 20 0 BEADMN CC[C@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000270741835 385737063 /nfs/dbraw/zinc/73/70/63/385737063.db2.gz AEFNCJKQXUERDN-NSHDSACASA-N 0 1 207.321 2.042 20 0 BEADMN CN[C@H](C)c1cn(Cc2c(C)cccc2C)nn1 ZINC000310963450 385738588 /nfs/dbraw/zinc/73/85/88/385738588.db2.gz QBOZCCFDCOUTPI-GFCCVEGCSA-N 0 1 244.342 2.224 20 0 BEADMN CC=CC=CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270757527 385740591 /nfs/dbraw/zinc/74/05/91/385740591.db2.gz OAXHPJXXZIHTET-DOYBTKHBSA-N 0 1 248.330 2.238 20 0 BEADMN Cc1nc(CNC(C)(C)C(C)(C)CO)cs1 ZINC000309615316 385744608 /nfs/dbraw/zinc/74/46/08/385744608.db2.gz BLTYIHJIXAWMMV-UHFFFAOYSA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H](CN(C)Cc1c[nH]cn1)c1nccs1 ZINC000183256462 385746365 /nfs/dbraw/zinc/74/63/65/385746365.db2.gz LCNPGMIBWRNBJA-VIFPVBQESA-N 0 1 236.344 2.102 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)C2CC=CC2)n[nH]1 ZINC000270819705 385749003 /nfs/dbraw/zinc/74/90/03/385749003.db2.gz ZFBZBUBYICVMMJ-VIFPVBQESA-N 0 1 248.330 2.072 20 0 BEADMN Fc1ccc(F)c2c1CC[C@@H]2N[C@@H]1CCOC1 ZINC000337678997 385750633 /nfs/dbraw/zinc/75/06/33/385750633.db2.gz UGGJXIMBHYNNDV-PELKAZGASA-N 0 1 239.265 2.331 20 0 BEADMN CCCc1noc(CN[C@H]2CCC[C@H]2C)n1 ZINC000309627996 385757154 /nfs/dbraw/zinc/75/71/54/385757154.db2.gz HAZOAWVPGGKBFT-ZJUUUORDSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000183416558 385761286 /nfs/dbraw/zinc/76/12/86/385761286.db2.gz KMWWZZKSWMLCGQ-UWVGGRQHSA-N 0 1 249.358 2.407 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1Cc1ccn(C)c1 ZINC000270981606 385767907 /nfs/dbraw/zinc/76/79/07/385767907.db2.gz DMVRVJAMUGXVGN-YPMHNXCESA-N 0 1 222.332 2.024 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000271006411 385770932 /nfs/dbraw/zinc/77/09/32/385770932.db2.gz NKUIVHGSZFXYFH-NQBHXWOUSA-N 0 1 235.327 2.360 20 0 BEADMN O=C(CC1CCC1)Nc1n[nH]c2cc(O)ccc21 ZINC000647797367 385774364 /nfs/dbraw/zinc/77/43/64/385774364.db2.gz KAPAAPYUDGMJIN-UHFFFAOYSA-N 0 1 245.282 2.397 20 0 BEADMN CC[C@H]1CCN1C(=O)c1c(O)cccc1F ZINC000293973873 385777690 /nfs/dbraw/zinc/77/76/90/385777690.db2.gz KMQBGPQQSBXQKP-QMMMGPOBSA-N 0 1 223.247 2.156 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC(C)(C)CO ZINC000258904738 385779356 /nfs/dbraw/zinc/77/93/56/385779356.db2.gz SGYBRXCWXTYJMV-UHFFFAOYSA-N 0 1 243.297 2.415 20 0 BEADMN CC(=O)CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000337603684 385726244 /nfs/dbraw/zinc/72/62/44/385726244.db2.gz OMAIWDVMQZEQIK-UHFFFAOYSA-N 0 1 249.245 2.010 20 0 BEADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC000116325879 385727283 /nfs/dbraw/zinc/72/72/83/385727283.db2.gz PWLIIAGVNKECKR-GFCCVEGCSA-N 0 1 221.300 2.024 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@@H]1CF ZINC000294075486 385800183 /nfs/dbraw/zinc/80/01/83/385800183.db2.gz MYNCVXWEVLBYMX-MRVPVSSYSA-N 0 1 241.237 2.105 20 0 BEADMN Cc1ncc(C(=O)N2CC(C3CCCCC3)C2)[nH]1 ZINC000294077417 385800917 /nfs/dbraw/zinc/80/09/17/385800917.db2.gz IEDJVRHBCQPEPC-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN CCc1ccc(CN(C)CCc2noc(C)n2)o1 ZINC000271198996 385804329 /nfs/dbraw/zinc/80/43/29/385804329.db2.gz VMXZEGAKBKLJNQ-UHFFFAOYSA-N 0 1 249.314 2.208 20 0 BEADMN Cc1[nH]ncc1CN1CCc2cc(F)ccc21 ZINC000283073120 385808006 /nfs/dbraw/zinc/80/80/06/385808006.db2.gz QPRPCNKJLCXEGA-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CCN(Cc1cnc(C2CC2)s1)[C@H](C)CO ZINC000644834755 385809441 /nfs/dbraw/zinc/80/94/41/385809441.db2.gz LQPXBKWWJVFYJQ-SECBINFHSA-N 0 1 240.372 2.223 20 0 BEADMN Cc1cc(CNCC(C)(C)c2cccnc2)no1 ZINC000414564144 385817337 /nfs/dbraw/zinc/81/73/37/385817337.db2.gz XGUDOAOWUSZWPX-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN CC(C)CCNC(=O)c1ccc2cncn2c1 ZINC000284253406 385857403 /nfs/dbraw/zinc/85/74/03/385857403.db2.gz IEUYEJWYCHULTK-UHFFFAOYSA-N 0 1 231.299 2.110 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000261571215 385819307 /nfs/dbraw/zinc/81/93/07/385819307.db2.gz KXYXXOPBYGTZPZ-HZSPNIEDSA-N 0 1 246.354 2.300 20 0 BEADMN CO[C@H](CN1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000283642695 385826588 /nfs/dbraw/zinc/82/65/88/385826588.db2.gz CIACASOWRGRXRV-GZBFAFLISA-N 0 1 249.354 2.483 20 0 BEADMN Cc1cn[nH]c1CN1CCc2cc(F)ccc2C1 ZINC000283719441 385831025 /nfs/dbraw/zinc/83/10/25/385831025.db2.gz AZRUVADLEXHSFH-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CO[C@@H](C)CCNCc1c(F)ccc(O)c1F ZINC000294266701 385831231 /nfs/dbraw/zinc/83/12/31/385831231.db2.gz OFVBVJUEZKBJLP-QMMMGPOBSA-N 0 1 245.269 2.185 20 0 BEADMN Cc1cc(CC(=O)NC[C@H]2CCCC2(C)C)[nH]n1 ZINC000294294237 385833539 /nfs/dbraw/zinc/83/35/39/385833539.db2.gz WLOLBOPUNNRTRP-LLVKDONJSA-N 0 1 249.358 2.203 20 0 BEADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCC1 ZINC000284283645 385859219 /nfs/dbraw/zinc/85/92/19/385859219.db2.gz NFISAMCSIAQMMX-UHFFFAOYSA-N 0 1 235.674 2.062 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3cscc3Cl)C[C@H]12 ZINC000644836342 385839985 /nfs/dbraw/zinc/83/99/85/385839985.db2.gz YKJIEUZALZDCHP-MYJAWHEDSA-N 0 1 243.759 2.072 20 0 BEADMN Cc1nc(CN[C@@H]2CCO[C@@H]2C)sc1C ZINC000121473526 385842418 /nfs/dbraw/zinc/84/24/18/385842418.db2.gz AXCQFFPVURLMPR-PSASIEDQSA-N 0 1 226.345 2.027 20 0 BEADMN CO[C@H](CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000283994330 385844777 /nfs/dbraw/zinc/84/47/77/385844777.db2.gz NDSUHFXRGFUGGN-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN CN(CCCCCF)Cc1cnccn1 ZINC000284001878 385844877 /nfs/dbraw/zinc/84/48/77/385844877.db2.gz GRQODKJJQTXBCU-UHFFFAOYSA-N 0 1 211.284 2.048 20 0 BEADMN Cc1ccc2nc(CNCCOC(C)C)cn2c1 ZINC000284050378 385846537 /nfs/dbraw/zinc/84/65/37/385846537.db2.gz SIAHKRRSRJYDLI-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN Cc1cn[nH]c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000284039797 385847855 /nfs/dbraw/zinc/84/78/55/385847855.db2.gz LSCILFSUYYVADO-LBPRGKRZSA-N 0 1 245.330 2.168 20 0 BEADMN Cc1c[nH+]ccc1NC([O-])=NOC1CCCC1 ZINC000271804048 385851449 /nfs/dbraw/zinc/85/14/49/385851449.db2.gz KRZLXVBQZJYGNZ-UHFFFAOYSA-N 0 1 235.287 2.386 20 0 BEADMN COc1ccc(CN2CCCSCC2)nc1 ZINC000271834998 385853594 /nfs/dbraw/zinc/85/35/94/385853594.db2.gz RSNMXZBKPMGZNM-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN c1ccc([C@@H]2C[C@@H]2CN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644838778 385853643 /nfs/dbraw/zinc/85/36/43/385853643.db2.gz WWFBUNJEDAHJDH-CBBWQLFWSA-N 0 1 229.323 2.263 20 0 BEADMN c1cc(CN2CCC(C3CC3)CC2)n[nH]1 ZINC000644838360 385854727 /nfs/dbraw/zinc/85/47/27/385854727.db2.gz SHLHQSXWEMYQNU-UHFFFAOYSA-N 0 1 205.305 2.032 20 0 BEADMN Cc1noc(CN[C@H]2CCC23CCCC3)n1 ZINC000309684554 385789902 /nfs/dbraw/zinc/78/99/02/385789902.db2.gz HAUQZMBXMMYRPC-JTQLQIEISA-N 0 1 221.304 2.190 20 0 BEADMN Cc1ccc(F)c(CN(C)[C@H]2CCOC2)c1 ZINC000271146303 385792139 /nfs/dbraw/zinc/79/21/39/385792139.db2.gz ASQOYCKYADKQDV-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN CN(C)c1ncc(CN2CCCC(C)(C)C2)cn1 ZINC000271145946 385793103 /nfs/dbraw/zinc/79/31/03/385793103.db2.gz YHBRBCLIGPDEFC-UHFFFAOYSA-N 0 1 248.374 2.165 20 0 BEADMN Cc1cc(CN(C)CCc2ccncc2)on1 ZINC000271173276 385796052 /nfs/dbraw/zinc/79/60/52/385796052.db2.gz DSNJXKIRGAXZFO-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Cc1ccc(F)c(CN(C)CCn2cccn2)c1 ZINC000271168218 385797547 /nfs/dbraw/zinc/79/75/47/385797547.db2.gz IECGVRNJVPDEPO-UHFFFAOYSA-N 0 1 247.317 2.463 20 0 BEADMN COC[C@H](N[C@H]1CCSC1)c1ccco1 ZINC000122300064 385897079 /nfs/dbraw/zinc/89/70/79/385897079.db2.gz LBOADGMXGGSPAK-UWVGGRQHSA-N 0 1 227.329 2.062 20 0 BEADMN CCC1(C)CCN(Cc2nccnc2OC)CC1 ZINC000294823389 385899701 /nfs/dbraw/zinc/89/97/01/385899701.db2.gz MXRBCMNSCGYWRT-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@H](C)c2cn[nH]c2)n[nH]1 ZINC000285157033 385902634 /nfs/dbraw/zinc/90/26/34/385902634.db2.gz MKVAZYHBDDOOSG-RKDXNWHRSA-N 0 1 248.334 2.063 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@H](C)c2cn[nH]c2)n[nH]1 ZINC000285157020 385903457 /nfs/dbraw/zinc/90/34/57/385903457.db2.gz MKVAZYHBDDOOSG-BDAKNGLRSA-N 0 1 248.334 2.063 20 0 BEADMN Cn1cc(CN2CCC=C(c3ccco3)C2)cn1 ZINC000285184559 385904896 /nfs/dbraw/zinc/90/48/96/385904896.db2.gz BZQIKHUXCHBQOI-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN O=C(N[C@H]1CC12CC2)c1ccc(O)c(Cl)c1 ZINC000335102433 385905816 /nfs/dbraw/zinc/90/58/16/385905816.db2.gz HDTJMBGRBGORLE-JTQLQIEISA-N 0 1 237.686 2.328 20 0 BEADMN CC[C@H](OC)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272489627 385906908 /nfs/dbraw/zinc/90/69/08/385906908.db2.gz SVSIIEWKOZHJBC-LURJTMIESA-N 0 1 247.245 2.019 20 0 BEADMN CC(C)[C@H](CCO)NCc1csc(Cl)n1 ZINC000294888282 385909895 /nfs/dbraw/zinc/90/98/95/385909895.db2.gz CRZVJULOWDONHR-VIFPVBQESA-N 0 1 248.779 2.293 20 0 BEADMN c1coc(CN[C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000285261536 385911682 /nfs/dbraw/zinc/91/16/82/385911682.db2.gz ZQITXMVJEYUYSN-UONOGXRCSA-N 0 1 244.294 2.294 20 0 BEADMN C[C@H](CN[C@@H](C)c1ccc(=O)[nH]n1)C(F)(F)F ZINC000353676280 385919399 /nfs/dbraw/zinc/91/93/99/385919399.db2.gz WUXPTGCTCFMMRB-RQJHMYQMSA-N 0 1 249.236 2.031 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCOC(C)C)n1 ZINC000342030189 385923326 /nfs/dbraw/zinc/92/33/26/385923326.db2.gz VBNHKMROTXCMLZ-SNVBAGLBSA-N 0 1 241.335 2.083 20 0 BEADMN Cc1cnccc1CN(C)C[C@@H]1CCCO1 ZINC000294506938 385859952 /nfs/dbraw/zinc/85/99/52/385859952.db2.gz CBXMYNWNURTREZ-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(CCC(C)(C)C)[C@@H](C)CS(C)(=O)=O ZINC000112705177 385861246 /nfs/dbraw/zinc/86/12/46/385861246.db2.gz MKKXDIQVDCTXBL-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000294528952 385862734 /nfs/dbraw/zinc/86/27/34/385862734.db2.gz WZNVIDVKWNVJPR-HOSYDEDBSA-N 0 1 249.358 2.407 20 0 BEADMN CC[C@@H](COC)Nc1ccnc(C)c1Cl ZINC000336720247 385862855 /nfs/dbraw/zinc/86/28/55/385862855.db2.gz ZQWJORUWEOPPRW-VIFPVBQESA-N 0 1 228.723 2.302 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000294528955 385863775 /nfs/dbraw/zinc/86/37/75/385863775.db2.gz WZNVIDVKWNVJPR-JBLDHEPKSA-N 0 1 249.358 2.407 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncc(C)c2)n(C)n1 ZINC000284379084 385866112 /nfs/dbraw/zinc/86/61/12/385866112.db2.gz OQRUSBVTDUUHFP-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN COc1nccnc1CN(C)CC1CCCCC1 ZINC000294551656 385867536 /nfs/dbraw/zinc/86/75/36/385867536.db2.gz KNCXQQICMZZKMN-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340470445 385871388 /nfs/dbraw/zinc/87/13/88/385871388.db2.gz OJJOQBFFPLEYSH-ZDUSSCGKSA-N 0 1 248.305 2.423 20 0 BEADMN Cn1cccc1C(=O)CN1CCC2(CCC2)C1 ZINC000123313618 385873357 /nfs/dbraw/zinc/87/33/57/385873357.db2.gz RUBIMENPCVKPII-UHFFFAOYSA-N 0 1 232.327 2.084 20 0 BEADMN C[C@H]1CN(C(=O)CCCC2CC2)[C@@H](C)CN1C ZINC000643238348 385876478 /nfs/dbraw/zinc/87/64/78/385876478.db2.gz UJOCCIYZCBEXSC-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](CN(C)CC1OCCO1)c1ccccc1 ZINC000272117533 385876656 /nfs/dbraw/zinc/87/66/56/385876656.db2.gz PQEPGLCAACOSML-LBPRGKRZSA-N 0 1 235.327 2.095 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000647735904 385877860 /nfs/dbraw/zinc/87/78/60/385877860.db2.gz QXOJMWNTKAECOR-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CC[C@@H](C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272132463 385878491 /nfs/dbraw/zinc/87/84/91/385878491.db2.gz SHGLBNOKBRFNLH-SNVBAGLBSA-N 0 1 249.358 2.470 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H](C)c2nccn2CC)C1 ZINC000414132310 385978147 /nfs/dbraw/zinc/97/81/47/385978147.db2.gz AIXSUELMAMERAT-UTUOFQBUSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccco1 ZINC000273231833 385978672 /nfs/dbraw/zinc/97/86/72/385978672.db2.gz CPSMFIDZMHMSGZ-QMMMGPOBSA-N 0 1 232.287 2.126 20 0 BEADMN FCCCCN1CCN(Cc2ccco2)CC1 ZINC000286082140 385994797 /nfs/dbraw/zinc/99/47/97/385994797.db2.gz TTWBTHDFRFKJCB-UHFFFAOYSA-N 0 1 240.322 2.147 20 0 BEADMN C[C@@H]1CNCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000335020200 385979875 /nfs/dbraw/zinc/97/98/75/385979875.db2.gz CYEIHVJPVPCMKF-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN C(CC1CCCC1)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338381178 385983405 /nfs/dbraw/zinc/98/34/05/385983405.db2.gz HDZNYYBLLZONHP-OKILXGFUSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccn(C)n1 ZINC000414140405 385986257 /nfs/dbraw/zinc/98/62/57/385986257.db2.gz HYVVWNQNTJZCRK-MRVPVSSYSA-N 0 1 247.264 2.413 20 0 BEADMN CCCCC[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000071737620 385932428 /nfs/dbraw/zinc/93/24/28/385932428.db2.gz RMNCHKDECQKJQV-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000285494374 385932812 /nfs/dbraw/zinc/93/28/12/385932812.db2.gz CGKONVARCSZJIB-MNOVXSKESA-N 0 1 243.310 2.182 20 0 BEADMN C[C@@H](N[C@H]1CCCOC1)c1c(F)cncc1F ZINC000285501812 385933371 /nfs/dbraw/zinc/93/33/71/385933371.db2.gz CWZQVPMADJNNEH-BDAKNGLRSA-N 0 1 242.269 2.189 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)[nH]1 ZINC000272790342 385934841 /nfs/dbraw/zinc/93/48/41/385934841.db2.gz XRCZFIAFINVRIX-PHIMTYICSA-N 0 1 248.326 2.033 20 0 BEADMN CC(C)CC[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000071739054 385934938 /nfs/dbraw/zinc/93/49/38/385934938.db2.gz AJPUKYZWNZGVFB-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN COC[C@H](C)N1CCOc2ccc(C)cc2C1 ZINC000285522208 385937511 /nfs/dbraw/zinc/93/75/11/385937511.db2.gz KIPCXSOUXRQQDS-LBPRGKRZSA-N 0 1 235.327 2.224 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000414146964 385995428 /nfs/dbraw/zinc/99/54/28/385995428.db2.gz LUEGKXKSWBJVGY-RAIGVLPGSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@@H]1CCCO1)CCO2 ZINC000285531118 385938267 /nfs/dbraw/zinc/93/82/67/385938267.db2.gz KWZBNHCFHUEYST-AWEZNQCLSA-N 0 1 247.338 2.368 20 0 BEADMN CC[C@]1(C)CCN(Cc2ccc(OC)nn2)C1 ZINC000338274185 385938721 /nfs/dbraw/zinc/93/87/21/385938721.db2.gz JTDJBKOFUALZRF-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@H](C)N(CCCCCF)CC(=O)OC ZINC000342152041 385947888 /nfs/dbraw/zinc/94/78/88/385947888.db2.gz BIDNXSSNNOHXGT-LLVKDONJSA-N 0 1 233.327 2.400 20 0 BEADMN C[C@H](NCCOC1CCCC1)c1ccn(C)n1 ZINC000414076330 385948463 /nfs/dbraw/zinc/94/84/63/385948463.db2.gz OORSRXFYCMBONL-NSHDSACASA-N 0 1 237.347 2.030 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)c(C)n1 ZINC000335052197 385950918 /nfs/dbraw/zinc/95/09/18/385950918.db2.gz OOZSPYDYFHHJHR-CYBMUJFWSA-N 0 1 234.343 2.044 20 0 BEADMN CC[C@](C)(O)CN[C@H](C)c1c(F)cncc1F ZINC000285636443 385951220 /nfs/dbraw/zinc/95/12/20/385951220.db2.gz LAAUEQQLADVPBN-PELKAZGASA-N 0 1 244.285 2.171 20 0 BEADMN CC(=O)CC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285684023 385953827 /nfs/dbraw/zinc/95/38/27/385953827.db2.gz UYJCDSMFMYDENW-UHFFFAOYSA-N 0 1 233.311 2.169 20 0 BEADMN CC(=O)CCN1CCOc2ccc(C)cc2C1 ZINC000285684023 385953829 /nfs/dbraw/zinc/95/38/29/385953829.db2.gz UYJCDSMFMYDENW-UHFFFAOYSA-N 0 1 233.311 2.169 20 0 BEADMN CC[C@@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285684059 385954452 /nfs/dbraw/zinc/95/44/52/385954452.db2.gz RFWZNLPXDNLKOV-LLVKDONJSA-N 0 1 219.332 2.308 20 0 BEADMN FC(F)[C@@H]1C[C@@H]1NCc1cn2ccccc2n1 ZINC000342201801 385955260 /nfs/dbraw/zinc/95/52/60/385955260.db2.gz GIPXAAFMKCGVOY-ZJUUUORDSA-N 0 1 237.253 2.078 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365206985 385955311 /nfs/dbraw/zinc/95/53/11/385955311.db2.gz ZPWHVVQIOUCLHS-TZMCWYRMSA-N 0 1 249.358 2.121 20 0 BEADMN CC/C=C\CCN(CC(N)=O)Cc1ccccc1 ZINC000342205166 385955912 /nfs/dbraw/zinc/95/59/12/385955912.db2.gz QANYNKFRPYNYAZ-ARJAWSKDSA-N 0 1 246.354 2.330 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH]1 ZINC000273032183 385964649 /nfs/dbraw/zinc/96/46/49/385964649.db2.gz FUDCZOIHMSQGHN-XHVZSJERSA-N 0 1 247.342 2.369 20 0 BEADMN CCOc1ncc(C)cc1NCc1cn[nH]c1C ZINC000295100588 385967520 /nfs/dbraw/zinc/96/75/20/385967520.db2.gz KKIDEKZCPKUPCI-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN CC1(C)SC[C@H]1NCc1ccn(C(F)F)n1 ZINC000336747426 385971463 /nfs/dbraw/zinc/97/14/63/385971463.db2.gz SCCLCBKBYASANN-MRVPVSSYSA-N 0 1 247.314 2.262 20 0 BEADMN CCc1cnccc1-c1nc(C2(N)CCC2)no1 ZINC000414626081 385994541 /nfs/dbraw/zinc/99/45/41/385994541.db2.gz JOATTZWIVACZLP-UHFFFAOYSA-N 0 1 244.298 2.032 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H](C)c2cc3n(n2)CCC3)C1 ZINC000414148618 385997453 /nfs/dbraw/zinc/99/74/53/385997453.db2.gz RYQINSHBJPFNCH-WZRBSPASSA-N 0 1 249.358 2.047 20 0 BEADMN CC(C)c1nc(C[S@](=O)CC(C)(C)C)n[nH]1 ZINC000414244733 386055675 /nfs/dbraw/zinc/05/56/75/386055675.db2.gz QHKCWRUXBLLPDI-INIZCTEOSA-N 0 1 243.376 2.223 20 0 BEADMN CN[C@@H](C)c1cn(C[C@H](C)CC(C)C)nn1 ZINC000309274434 385999589 /nfs/dbraw/zinc/99/95/89/385999589.db2.gz FEVCBNQMFFCSDN-MNOVXSKESA-N 0 1 224.352 2.241 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2nccn2C)C1 ZINC000414152299 386003033 /nfs/dbraw/zinc/00/30/33/386003033.db2.gz XIGHWKHXRAWDQK-UTUOFQBUSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@H](NCc1cn[nH]c1C)C(F)(F)F ZINC000336751038 386006545 /nfs/dbraw/zinc/00/65/45/386006545.db2.gz FHKHXGYWVPVADS-QMMMGPOBSA-N 0 1 221.226 2.149 20 0 BEADMN COc1ncc([C@@H](C)NCCF)cc1Cl ZINC000284052074 386010076 /nfs/dbraw/zinc/01/00/76/386010076.db2.gz ABMLOFKXVQRACZ-SSDOTTSWSA-N 0 1 232.686 2.364 20 0 BEADMN COC[C@H](C)NCc1nc2c(s1)CCCC2 ZINC000309465838 386013307 /nfs/dbraw/zinc/01/33/07/386013307.db2.gz PHOMQKYJBZINBT-VIFPVBQESA-N 0 1 240.372 2.146 20 0 BEADMN COc1nccnc1CN1CCCC[C@@H](C)C1 ZINC000295374147 386020103 /nfs/dbraw/zinc/02/01/03/386020103.db2.gz JXNNNGZWBPLDKG-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN COc1cnccc1[C@H](C)NCc1cc[nH]c1 ZINC000189569056 386028749 /nfs/dbraw/zinc/02/87/49/386028749.db2.gz QYSDPHSNAOCSMU-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN Cc1cc(CN(C)[C@H](C)C[S@](C)=O)cs1 ZINC000295453234 386033120 /nfs/dbraw/zinc/03/31/20/386033120.db2.gz QJVZZZFUTSJJEK-PSLIRLAXSA-N 0 1 245.413 2.255 20 0 BEADMN Cc1cc(CN(C)[C@H](C)C[S@@](C)=O)cs1 ZINC000295453236 386034231 /nfs/dbraw/zinc/03/42/31/386034231.db2.gz QJVZZZFUTSJJEK-RFAUZJTJSA-N 0 1 245.413 2.255 20 0 BEADMN Cc1ccc(NC(=O)N2CCNC(C)(C)C2)cc1 ZINC000334577539 386034684 /nfs/dbraw/zinc/03/46/84/386034684.db2.gz ODIRTQHNRYWURH-UHFFFAOYSA-N 0 1 247.342 2.211 20 0 BEADMN Cc1nc([C@H](C)NC(=O)CCC(C)(C)C)n[nH]1 ZINC000286462083 386041456 /nfs/dbraw/zinc/04/14/56/386041456.db2.gz SUSMLNHTOOOQNP-QMMMGPOBSA-N 0 1 238.335 2.117 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000286465580 386041619 /nfs/dbraw/zinc/04/16/19/386041619.db2.gz SZEVJSRBKNQGGS-ONGXEEELSA-N 0 1 248.330 2.037 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cncc(F)c1 ZINC000222458684 386046646 /nfs/dbraw/zinc/04/66/46/386046646.db2.gz GFIFZRKTGHLSAX-BDAKNGLRSA-N 0 1 234.278 2.356 20 0 BEADMN COCc1ccc(CSc2cn[nH]n2)cc1 ZINC000338553988 386048236 /nfs/dbraw/zinc/04/82/36/386048236.db2.gz DIXGZUFSVIDUOT-UHFFFAOYSA-N 0 1 235.312 2.243 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000414244362 386055582 /nfs/dbraw/zinc/05/55/82/386055582.db2.gz QABVKDXWQDZBKK-VPTHRUTESA-N 0 1 243.376 2.357 20 0 BEADMN CC[C@@H]1CC[C@H]1N[C@@H](C)c1csnn1 ZINC000414290637 386101040 /nfs/dbraw/zinc/10/10/40/386101040.db2.gz AFMSSDHJPKXBJN-DJLDLDEBSA-N 0 1 211.334 2.377 20 0 BEADMN CCc1ccc(CNc2nccn2CC)cn1 ZINC000414301432 386109136 /nfs/dbraw/zinc/10/91/36/386109136.db2.gz MXRYFJKXTJYBME-UHFFFAOYSA-N 0 1 230.315 2.473 20 0 BEADMN Cc1noc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000037980784 386109215 /nfs/dbraw/zinc/10/92/15/386109215.db2.gz ZPXYYRXRTDIGJY-PSASIEDQSA-N 0 1 209.293 2.046 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(C)c1 ZINC000038024707 386115417 /nfs/dbraw/zinc/11/54/17/386115417.db2.gz DUDOFFYLRQNOLF-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN Cc1ccc(O)c(CN2CCC[C@](C)(F)C2)n1 ZINC000295973765 386118308 /nfs/dbraw/zinc/11/83/08/386118308.db2.gz IVFBBBNIZFZDTK-ZDUSSCGKSA-N 0 1 238.306 2.420 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C(C)(C)C1CC1 ZINC000287395974 386120111 /nfs/dbraw/zinc/12/01/11/386120111.db2.gz MHPQIJQFIRKBGI-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CC1 ZINC000295595104 386058026 /nfs/dbraw/zinc/05/80/26/386058026.db2.gz KWPQOCFMVRXCKE-MRVPVSSYSA-N 0 1 229.283 2.091 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@H]1CCCC[C@H]1C ZINC000334435517 386058052 /nfs/dbraw/zinc/05/80/52/386058052.db2.gz ZHKWSZXAOMATMJ-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN CCCCCC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295603913 386061147 /nfs/dbraw/zinc/06/11/47/386061147.db2.gz FFBCGUJZUSNSSV-UHFFFAOYSA-N 0 1 238.335 2.125 20 0 BEADMN C(CC1CCOCC1)CN1CCOCC12CC2 ZINC000338593145 386065575 /nfs/dbraw/zinc/06/55/75/386065575.db2.gz PIUCNUDWECLKOX-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000414213412 386066976 /nfs/dbraw/zinc/06/69/76/386066976.db2.gz RCSYHFCPHIHKIL-WYUUTHIRSA-N 0 1 235.331 2.046 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CS[C@H](C)C1 ZINC000414224282 386075517 /nfs/dbraw/zinc/07/55/17/386075517.db2.gz HKUAUGCRNMCHHP-VWYCJHECSA-N 0 1 239.388 2.448 20 0 BEADMN CC[C@H](F)CN1CCC[C@@H](n2cccn2)C1 ZINC000440690466 386076144 /nfs/dbraw/zinc/07/61/44/386076144.db2.gz FIOLGIZOFGUXOX-NWDGAFQWSA-N 0 1 225.311 2.268 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CS[C@@H](C)C2)nn1C ZINC000414226629 386076300 /nfs/dbraw/zinc/07/63/00/386076300.db2.gz KCNHTECVAPVASP-GARJFASQSA-N 0 1 239.388 2.273 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC(C2CC2)C1 ZINC000643292933 386077174 /nfs/dbraw/zinc/07/71/74/386077174.db2.gz GFLHRXBRDFDEDU-UHFFFAOYSA-N 0 1 241.294 2.045 20 0 BEADMN CCCC1(CNCc2nccnc2OC)CC1 ZINC000295746810 386078634 /nfs/dbraw/zinc/07/86/34/386078634.db2.gz PGYBUMHHXKOKQX-UHFFFAOYSA-N 0 1 235.331 2.155 20 0 BEADMN CC/C(C)=C/C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000295756875 386081360 /nfs/dbraw/zinc/08/13/60/386081360.db2.gz OLWIRZKAFNOBTE-HCRIHEDKSA-N 0 1 236.359 2.109 20 0 BEADMN CCCC(CCC)NCc1nc2ncccn2n1 ZINC000414265695 386084861 /nfs/dbraw/zinc/08/48/61/386084861.db2.gz LQJBDKGYYXZWKX-UHFFFAOYSA-N 0 1 247.346 2.183 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000345283067 386089487 /nfs/dbraw/zinc/08/94/87/386089487.db2.gz JBQKTHGNLLFOKD-JBLDHEPKSA-N 0 1 249.358 2.202 20 0 BEADMN CC(C)(CN[C@@H]1CCn2ccnc21)OCC1CC1 ZINC000414271970 386089934 /nfs/dbraw/zinc/08/99/34/386089934.db2.gz PVNZMRMJYRWIAF-GFCCVEGCSA-N 0 1 249.358 2.123 20 0 BEADMN CC[C@H]1COCCN1CC1CC(F)(F)C1 ZINC000335152749 386144946 /nfs/dbraw/zinc/14/49/46/386144946.db2.gz DPFUTSIVPMPWJM-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCC[C@H]2O)c(C)s1 ZINC000335152065 386146225 /nfs/dbraw/zinc/14/62/25/386146225.db2.gz LNNVBOCFWLZHMG-VXGBXAGGSA-N 0 1 240.372 2.105 20 0 BEADMN Cc1cnccc1CN1CC2(C1)CCOCC2 ZINC000335155848 386150646 /nfs/dbraw/zinc/15/06/46/386150646.db2.gz SBUYBAPOBIWYNM-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CC[C@H](N[C@H](C)C(=O)NC(C)C)c1ccncc1 ZINC000414351724 386154604 /nfs/dbraw/zinc/15/46/04/386154604.db2.gz WARBIEBDQKZCMG-YPMHNXCESA-N 0 1 249.358 2.035 20 0 BEADMN CN1CCN(Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000334474689 386155942 /nfs/dbraw/zinc/15/59/42/386155942.db2.gz LGODVLBBWYQYJJ-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CN1CCN(C(=O)C2=CCC2)C2(CCCCC2)C1 ZINC000334476555 386160218 /nfs/dbraw/zinc/16/02/18/386160218.db2.gz OYLVMLLGPSGMHY-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000452034083 386160368 /nfs/dbraw/zinc/16/03/68/386160368.db2.gz RPAXAUJRAXOWJD-CHWSQXEVSA-N 0 1 238.331 2.420 20 0 BEADMN COC(=O)CN(C[C@H]1CCCC[C@H]1C)C1CC1 ZINC000346180236 386160501 /nfs/dbraw/zinc/16/05/01/386160501.db2.gz PUZHCYVNYRJKBB-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]1C1CCCC1 ZINC000263648818 386162735 /nfs/dbraw/zinc/16/27/35/386162735.db2.gz FHVHBABDANGWRM-LBPRGKRZSA-N 0 1 233.315 2.205 20 0 BEADMN CCC1(CC)CCN(C(=O)c2cnc[nH]2)CC1 ZINC000274946605 386165948 /nfs/dbraw/zinc/16/59/48/386165948.db2.gz AVYAMWZGANXGEM-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN Cc1cc(C)c2c(c1)CN(CC1OCCO1)CC2 ZINC000274993274 386168093 /nfs/dbraw/zinc/16/80/93/386168093.db2.gz MCKBYSUDBRSXGT-UHFFFAOYSA-N 0 1 247.338 2.034 20 0 BEADMN Cc1noc([C@@H]2CCN(CCC(F)(F)F)C2)n1 ZINC000346238185 386178743 /nfs/dbraw/zinc/17/87/43/386178743.db2.gz IRJGQVOEYMFDIK-MRVPVSSYSA-N 0 1 249.236 2.120 20 0 BEADMN CCCCN(C)Cc1ccnn1CCCOC ZINC000338923172 386178977 /nfs/dbraw/zinc/17/89/77/386178977.db2.gz GCUXCCUFYHOFLL-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)CC2(C)CC2)c1 ZINC000346190329 386180774 /nfs/dbraw/zinc/18/07/74/386180774.db2.gz LGTHBLOAAIHNAE-UHFFFAOYSA-N 0 1 247.342 2.272 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@H]2CCn3ccnc32)C1(C)C ZINC000453130223 386182045 /nfs/dbraw/zinc/18/20/45/386182045.db2.gz YRNCGTFEJRODDZ-COPLHBTASA-N 0 1 249.358 2.121 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CC2CC2)c1 ZINC000263857952 386186445 /nfs/dbraw/zinc/18/64/45/386186445.db2.gz WXIJFCXWMPFJQP-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN CCN(CC)c1ncc(CN2CC(C)C2)s1 ZINC000338959273 386191392 /nfs/dbraw/zinc/19/13/92/386191392.db2.gz WFXBBVOGWTVBEW-UHFFFAOYSA-N 0 1 239.388 2.441 20 0 BEADMN CCC1(NC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000296018607 386124572 /nfs/dbraw/zinc/12/45/72/386124572.db2.gz WXGWRWHUELNEKG-UHFFFAOYSA-N 0 1 243.310 2.164 20 0 BEADMN C[C@H](NCCOCC(F)F)c1nccs1 ZINC000189944235 386125632 /nfs/dbraw/zinc/12/56/32/386125632.db2.gz LZPRSRACQQKZBA-ZETCQYMHSA-N 0 1 236.287 2.075 20 0 BEADMN CO[C@H]1CCN(Cc2cc(C)ncn2)CC1(C)C ZINC000296032699 386126352 /nfs/dbraw/zinc/12/63/52/386126352.db2.gz NQVNLFYQSWUICQ-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1nc(CN2CCC(C(C)(C)C)CC2)n[nH]1 ZINC000335209266 386131858 /nfs/dbraw/zinc/13/18/58/386131858.db2.gz BPYYJCLMIDZEFI-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335131615 386132946 /nfs/dbraw/zinc/13/29/46/386132946.db2.gz BSOBBWIOKGGUHO-MNOVXSKESA-N 0 1 238.375 2.022 20 0 BEADMN CO[C@H](C[N@@H+](Cc1ccccn1)C1CC1)C1CC1 ZINC000425464306 386135569 /nfs/dbraw/zinc/13/55/69/386135569.db2.gz XGRNQJJKDZLJLA-OAHLLOKOSA-N 0 1 246.354 2.471 20 0 BEADMN COc1ccc(CNCc2ccn(C)c2)cc1O ZINC000343188402 386202805 /nfs/dbraw/zinc/20/28/05/386202805.db2.gz HERGORRHHQROKX-UHFFFAOYSA-N 0 1 246.310 2.029 20 0 BEADMN Cc1ccncc1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000275333661 386202791 /nfs/dbraw/zinc/20/27/91/386202791.db2.gz WLZQBTDEIPJEDR-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN CCC1(CC)CCN([C@@H](C)c2nncn2C)C1 ZINC000347049841 386204155 /nfs/dbraw/zinc/20/41/55/386204155.db2.gz JMOVIQQLDPSDKW-NSHDSACASA-N 0 1 236.363 2.388 20 0 BEADMN C/C=C/C=C/C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000296838872 386205504 /nfs/dbraw/zinc/20/55/04/386205504.db2.gz GXMKNPOQUHNOLF-VBTYPQTQSA-N 0 1 236.359 2.061 20 0 BEADMN CC(C)C(C)(C)CNc1nc2[nH]ncc2c(=O)[nH]1 ZINC000275403141 386208769 /nfs/dbraw/zinc/20/87/69/386208769.db2.gz FGNSWCOUHKJTLL-UHFFFAOYSA-N 0 1 249.318 2.153 20 0 BEADMN CCC[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000347062193 386210460 /nfs/dbraw/zinc/21/04/60/386210460.db2.gz WVVRNYUPSQZOIL-NWDGAFQWSA-N 0 1 236.363 2.388 20 0 BEADMN CC(C)C[C@@H]1CCN([C@@H](C)c2nncn2C)C1 ZINC000347073635 386214806 /nfs/dbraw/zinc/21/48/06/386214806.db2.gz KNEPNPBXCGYSKY-RYUDHWBXSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@@H](O)C1CCN(Cc2ccccc2F)CC1 ZINC000225781069 386217042 /nfs/dbraw/zinc/21/70/42/386217042.db2.gz KLKQACHADFSECJ-LLVKDONJSA-N 0 1 237.318 2.419 20 0 BEADMN CC1(C)SC[C@H]1NCc1cc(F)ncc1F ZINC000297041339 386220497 /nfs/dbraw/zinc/22/04/97/386220497.db2.gz XXZVTJAXXGMLTP-SECBINFHSA-N 0 1 244.310 2.343 20 0 BEADMN CC(C)(C)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000264261287 386222673 /nfs/dbraw/zinc/22/26/73/386222673.db2.gz QHHCOOSYAJZGGL-SNVBAGLBSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H](NCc1cscn1)[C@H](O)c1ccccc1 ZINC000288619671 386223224 /nfs/dbraw/zinc/22/32/24/386223224.db2.gz RMGRXDAUKPTWRQ-GWCFXTLKSA-N 0 1 248.351 2.355 20 0 BEADMN Nc1cc(CN2CCCc3occc3C2)ccn1 ZINC000288777874 386232141 /nfs/dbraw/zinc/23/21/41/386232141.db2.gz KDIVLGGKNZPVIM-UHFFFAOYSA-N 0 1 243.310 2.205 20 0 BEADMN CCC1(NC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000297268313 386237583 /nfs/dbraw/zinc/23/75/83/386237583.db2.gz KLOYVXYULSUZKU-JTQLQIEISA-N 0 1 248.330 2.029 20 0 BEADMN Cc1cc(CNCCCC2CCOCC2)no1 ZINC000347088382 386245341 /nfs/dbraw/zinc/24/53/41/386245341.db2.gz HXSMXYJGWUFFIN-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN CC[C@H]1CN(CCCc2cnccc2C)CCO1 ZINC000288987846 386250229 /nfs/dbraw/zinc/25/02/29/386250229.db2.gz CWCHSHWQHZZUDG-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1O ZINC000424966134 386250659 /nfs/dbraw/zinc/25/06/59/386250659.db2.gz ICPHOAYQNMQIPG-NWDGAFQWSA-N 0 1 249.285 2.450 20 0 BEADMN CCC1(C)CN(Cc2ccc(CO)o2)C1 ZINC000297392201 386251007 /nfs/dbraw/zinc/25/10/07/386251007.db2.gz KPJVSSZXYYZUPD-UHFFFAOYSA-N 0 1 209.289 2.004 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000296641610 386192055 /nfs/dbraw/zinc/19/20/55/386192055.db2.gz CDPUIKVUUJEFTN-YUMQZZPRSA-N 0 1 246.713 2.387 20 0 BEADMN CN(CC(=O)NC1CC1)[C@H]1C=CCCCCC1 ZINC000340279702 386193752 /nfs/dbraw/zinc/19/37/52/386193752.db2.gz QMWUKVMMNLRZKY-ZDUSSCGKSA-N 0 1 236.359 2.086 20 0 BEADMN CC(=O)c1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000296732213 386196789 /nfs/dbraw/zinc/19/67/89/386196789.db2.gz IUZNWKYERPOCRW-UHFFFAOYSA-N 0 1 247.338 2.236 20 0 BEADMN C[C@H]1[C@@H](C)N(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC000416325335 386259208 /nfs/dbraw/zinc/25/92/08/386259208.db2.gz SNAXPRCHLSLOJR-GMTAPVOTSA-N 0 1 249.358 2.190 20 0 BEADMN CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000264886083 386281877 /nfs/dbraw/zinc/28/18/77/386281877.db2.gz SHEANKAJEJGTNC-ZDUSSCGKSA-N 0 1 234.343 2.158 20 0 BEADMN CC(C)(C)Sc1ccc(NC(=O)CN)cc1 ZINC000236600496 386289473 /nfs/dbraw/zinc/28/94/73/386289473.db2.gz UEWAXLOZNUEOLP-UHFFFAOYSA-N 0 1 238.356 2.474 20 0 BEADMN CCCCOCCN1C[C@@H](C)OC[C@H]1CC ZINC000340589328 386292662 /nfs/dbraw/zinc/29/26/62/386292662.db2.gz YWPMYLZGCJATCI-CHWSQXEVSA-N 0 1 229.364 2.302 20 0 BEADMN CCCCN(CC)Cc1cc(COC)on1 ZINC000298002527 386292790 /nfs/dbraw/zinc/29/27/90/386292790.db2.gz ZRTAKBVIMMGCHR-UHFFFAOYSA-N 0 1 226.320 2.443 20 0 BEADMN CCCC(=O)CSc1nc(C2CC2)n[nH]1 ZINC000289411022 386298249 /nfs/dbraw/zinc/29/82/49/386298249.db2.gz UXFOHHRCVVZHBD-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN CCCC(=O)CSc1n[nH]c(C2CC2)n1 ZINC000289411022 386298253 /nfs/dbraw/zinc/29/82/53/386298253.db2.gz UXFOHHRCVVZHBD-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000347297247 386301228 /nfs/dbraw/zinc/30/12/28/386301228.db2.gz GNQUUJMWAXXAAV-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)C ZINC000298206886 386308647 /nfs/dbraw/zinc/30/86/47/386308647.db2.gz IQFFJJVETBRNBB-AAEUAGOBSA-N 0 1 246.354 2.304 20 0 BEADMN Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)nn1C ZINC000336678670 386318681 /nfs/dbraw/zinc/31/86/81/386318681.db2.gz BVBDEYRBWFMPHD-JSGCOSHPSA-N 0 1 233.359 2.493 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC000452533391 386265940 /nfs/dbraw/zinc/26/59/40/386265940.db2.gz SOACNZKYUGZOTD-RYUDHWBXSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1ccnc(CN(C)CC2CCC2)n1 ZINC000336652439 386270423 /nfs/dbraw/zinc/27/04/23/386270423.db2.gz WNVGTOFOIIZHDS-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)n[nH]1 ZINC000416316855 386274709 /nfs/dbraw/zinc/27/47/09/386274709.db2.gz HRXDRFCUPAOBOS-IVZWLZJFSA-N 0 1 235.331 2.089 20 0 BEADMN CCC1CCN(C(=O)CN(CC)C2CC2)CC1 ZINC000343203756 386276013 /nfs/dbraw/zinc/27/60/13/386276013.db2.gz ALFSIFBAJYEQLD-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN COCc1cc(CN(C)[C@H](C)C2CC2)no1 ZINC000297792847 386279360 /nfs/dbraw/zinc/27/93/60/386279360.db2.gz NGDSMONVVZUYLT-SECBINFHSA-N 0 1 224.304 2.051 20 0 BEADMN CC(C)CCOCC[N@H+]1CC[C@](C)(F)C1 ZINC000347351057 386347223 /nfs/dbraw/zinc/34/72/23/386347223.db2.gz MUWUUCZNYMMRJW-LBPRGKRZSA-N 0 1 217.328 2.483 20 0 BEADMN CC(C)CCOCCN1CC[C@](C)(F)C1 ZINC000347351057 386347230 /nfs/dbraw/zinc/34/72/30/386347230.db2.gz MUWUUCZNYMMRJW-LBPRGKRZSA-N 0 1 217.328 2.483 20 0 BEADMN COCc1ccc(CNCc2n[nH]cc2C)cc1 ZINC000289779726 386355283 /nfs/dbraw/zinc/35/52/83/386355283.db2.gz GZGFGEPOMLMULA-UHFFFAOYSA-N 0 1 245.326 2.154 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3cccnc3)C2)c1 ZINC000289777742 386355909 /nfs/dbraw/zinc/35/59/09/386355909.db2.gz GXBMFLISGDMAHO-AWEZNQCLSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1cn[nH]c1CNc1ccnn1[C@@H](C)C1CC1 ZINC000289818002 386358731 /nfs/dbraw/zinc/35/87/31/386358731.db2.gz JCPKVZHSNGPNGS-JTQLQIEISA-N 0 1 245.330 2.498 20 0 BEADMN Cl/C=C/CN1CCC(c2ccncn2)CC1 ZINC000298556963 386360149 /nfs/dbraw/zinc/36/01/49/386360149.db2.gz ZMASTRLEUPCNHJ-ORCRQEGFSA-N 0 1 237.734 2.409 20 0 BEADMN CC(C)n1cc(CNCCC2=CCCC2)nn1 ZINC000289847408 386363142 /nfs/dbraw/zinc/36/31/42/386363142.db2.gz UZOORETXMDZSJQ-UHFFFAOYSA-N 0 1 234.347 2.449 20 0 BEADMN CC[C@@]1(C)CN(Cc2ccn(C)c2)CCO1 ZINC000276705929 386367795 /nfs/dbraw/zinc/36/77/95/386367795.db2.gz FWMVKYOJNIASIZ-ZDUSSCGKSA-N 0 1 222.332 2.026 20 0 BEADMN C[C@@H](NCC1(C)OCCCO1)c1ccco1 ZINC000190649024 386378567 /nfs/dbraw/zinc/37/85/67/386378567.db2.gz DOLCGIUWGWMHRA-SNVBAGLBSA-N 0 1 225.288 2.083 20 0 BEADMN CN(C)CC(=O)N(CC1CC1)C1CCCCC1 ZINC000340609037 386378888 /nfs/dbraw/zinc/37/88/88/386378888.db2.gz KJZBHVKYFOSAHU-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000083412896 386327947 /nfs/dbraw/zinc/32/79/47/386327947.db2.gz BNPXSVPMRHQLKK-ZYHUDNBSSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C)C2CCCC2)c1C ZINC000265340656 386329055 /nfs/dbraw/zinc/32/90/55/386329055.db2.gz VLAZYOJPVKQRNU-JTQLQIEISA-N 0 1 235.331 2.335 20 0 BEADMN CC[C@H](O)[C@H]1CCCCN1Cc1cc(C)on1 ZINC000336684373 386334151 /nfs/dbraw/zinc/33/41/51/386334151.db2.gz FBZGNHBZBJFJMR-OLZOCXBDSA-N 0 1 238.331 2.108 20 0 BEADMN CN(C)[C@H](CNc1cnccn1)c1ccsc1 ZINC000298406553 386337467 /nfs/dbraw/zinc/33/74/67/386337467.db2.gz HRKAVELQFBWZOM-LLVKDONJSA-N 0 1 248.355 2.253 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(N(C)C)cc1 ZINC000289660810 386338939 /nfs/dbraw/zinc/33/89/39/386338939.db2.gz YVYNUQBEWRFEJC-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1CCC1 ZINC000347485587 386438186 /nfs/dbraw/zinc/43/81/86/386438186.db2.gz FPXRJBMQOGTSNK-UHFFFAOYSA-N 0 1 249.358 2.466 20 0 BEADMN COc1ncncc1CN(C1CCC1)C1CCC1 ZINC000648037775 386441601 /nfs/dbraw/zinc/44/16/01/386441601.db2.gz ASZLFSMSWSMGHE-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1nnc(CN2CC[C@H](c3ccccc3)C2)o1 ZINC000299346997 386443556 /nfs/dbraw/zinc/44/35/56/386443556.db2.gz WQJHHMPWSNBWDR-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1occc1CNCc1ccc(N(C)C)nc1 ZINC000339493888 386444430 /nfs/dbraw/zinc/44/44/30/386444430.db2.gz IRSVOFHXLPCCDF-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN CC(C)COCCN1CCOC[C@@H]1CC(C)C ZINC000336699666 386388142 /nfs/dbraw/zinc/38/81/42/386388142.db2.gz YGLUZACVMZFQSH-AWEZNQCLSA-N 0 1 243.391 2.406 20 0 BEADMN CC(C)COCCN1CCOC[C@H]1CC(C)C ZINC000336699667 386388183 /nfs/dbraw/zinc/38/81/83/386388183.db2.gz YGLUZACVMZFQSH-CQSZACIVSA-N 0 1 243.391 2.406 20 0 BEADMN C[C@H](O)CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000336704825 386395379 /nfs/dbraw/zinc/39/53/79/386395379.db2.gz QQTKMPLOJXOAJG-GZBFAFLISA-N 0 1 249.354 2.219 20 0 BEADMN COC[C@@H](NC1CC(OC)C1)c1ccc(C)o1 ZINC000347422964 386397667 /nfs/dbraw/zinc/39/76/67/386397667.db2.gz RXWYMFKIYJSNDD-HTAVTVPLSA-N 0 1 239.315 2.043 20 0 BEADMN CCCC(C)(C)NC(=O)CN(CC)C1CC1 ZINC000339390884 386400388 /nfs/dbraw/zinc/40/03/88/386400388.db2.gz IJBLXHBUUGJHOZ-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN CCc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)o1 ZINC000277022844 386400555 /nfs/dbraw/zinc/40/05/55/386400555.db2.gz OOSCAEIFYSTWNU-UHFFFAOYSA-N 0 1 249.266 2.423 20 0 BEADMN CCC[C@@H]1C[C@@H]1NCc1ncc(C)n1C ZINC000336732610 386401285 /nfs/dbraw/zinc/40/12/85/386401285.db2.gz LNMJKUQGUFJHRS-MNOVXSKESA-N 0 1 207.321 2.007 20 0 BEADMN CCCCCOCc1nc(C2(N)CCC2)no1 ZINC000339390632 386401596 /nfs/dbraw/zinc/40/15/96/386401596.db2.gz BBDKCXVRAXJWOP-UHFFFAOYSA-N 0 1 239.319 2.114 20 0 BEADMN CCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347431475 386402179 /nfs/dbraw/zinc/40/21/79/386402179.db2.gz GHVDYZIITCWQFD-UHFFFAOYSA-N 0 1 237.347 2.466 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@H](C)[C@H]1C ZINC000290188121 386403493 /nfs/dbraw/zinc/40/34/93/386403493.db2.gz ZUAUTFSJRMXLRS-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN CCCc1noc(CN2CCC[C@H]2CC)n1 ZINC000336707343 386411815 /nfs/dbraw/zinc/41/18/15/386411815.db2.gz SKZBKHMATVDKAW-SNVBAGLBSA-N 0 1 223.320 2.397 20 0 BEADMN CC[C@H](CSc1nc(C2CC2)n[nH]1)OC ZINC000416912307 386412937 /nfs/dbraw/zinc/41/29/37/386412937.db2.gz DSTLQBVKNMYFMD-MRVPVSSYSA-N 0 1 227.333 2.199 20 0 BEADMN CC[C@H](CSc1n[nH]c(C2CC2)n1)OC ZINC000416912307 386412943 /nfs/dbraw/zinc/41/29/43/386412943.db2.gz DSTLQBVKNMYFMD-MRVPVSSYSA-N 0 1 227.333 2.199 20 0 BEADMN CCN(CCOC)Cc1ccccc1F ZINC000299132284 386418000 /nfs/dbraw/zinc/41/80/00/386418000.db2.gz MHSGHFFHIUBUJB-UHFFFAOYSA-N 0 1 211.280 2.294 20 0 BEADMN CCCCC[C@@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000277336050 386426979 /nfs/dbraw/zinc/42/69/79/386426979.db2.gz YXYJYNLYTLWDHJ-MRVPVSSYSA-N 0 1 249.318 2.439 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000347523858 386430147 /nfs/dbraw/zinc/43/01/47/386430147.db2.gz CHGYUUJQZIRBIP-GXSJLCMTSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nnc(C2CC2)[nH]1 ZINC000347523858 386430151 /nfs/dbraw/zinc/43/01/51/386430151.db2.gz CHGYUUJQZIRBIP-GXSJLCMTSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@H](N[C@H](C)c1nc(C)no1)C1CC1 ZINC000639097468 386431745 /nfs/dbraw/zinc/43/17/45/386431745.db2.gz LJWYDVKTYJNNSU-XCBNKYQSSA-N 0 1 209.293 2.217 20 0 BEADMN CCCC[C@H](C)N(C)Cc1cncnc1OC ZINC000648037220 386434739 /nfs/dbraw/zinc/43/47/39/386434739.db2.gz JBMJLSCHBNCEHK-NSHDSACASA-N 0 1 237.347 2.496 20 0 BEADMN Cc1cnn(CCN(C)Cc2ccc(C)o2)c1 ZINC000336711864 386435516 /nfs/dbraw/zinc/43/55/16/386435516.db2.gz PWMFNONJRMUHFW-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN Cc1cc([C@H](C)NCC(C)(C)C(C)(C)O)no1 ZINC000453349898 386468875 /nfs/dbraw/zinc/46/88/75/386468875.db2.gz HQKANNWQWZNIEH-JTQLQIEISA-N 0 1 240.347 2.431 20 0 BEADMN C[C@@H]1CN([C@H]2CCc3ccccc3NC2=O)[C@H]1C ZINC000339579284 386473629 /nfs/dbraw/zinc/47/36/29/386473629.db2.gz BMHNYQBSMCJMEA-SUNKGSAMSA-N 0 1 244.338 2.280 20 0 BEADMN CCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277882983 386473665 /nfs/dbraw/zinc/47/36/65/386473665.db2.gz PGNHWQHUPHZZKA-BDAKNGLRSA-N 0 1 238.335 2.296 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@H](C)[C@H]2C)cn1 ZINC000339564115 386477469 /nfs/dbraw/zinc/47/74/69/386477469.db2.gz QZXGYVYOJIUQPN-GDPRMGEGSA-N 0 1 205.305 2.186 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](C)[C@@H]1C ZINC000339566345 386477895 /nfs/dbraw/zinc/47/78/95/386477895.db2.gz IZRWXEVOARCPIU-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@H](C)[C@@H]2C)cn1 ZINC000339564139 386478942 /nfs/dbraw/zinc/47/89/42/386478942.db2.gz QZXGYVYOJIUQPN-LSJOCFKGSA-N 0 1 205.305 2.186 20 0 BEADMN CC(C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000335425843 386480208 /nfs/dbraw/zinc/48/02/08/386480208.db2.gz WYOBYKMACIDBNI-OLZOCXBDSA-N 0 1 233.311 2.195 20 0 BEADMN COC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000266941551 386480978 /nfs/dbraw/zinc/48/09/78/386480978.db2.gz QAPRYMDWCIVSFV-OCCSQVGLSA-N 0 1 247.338 2.113 20 0 BEADMN CCSCCN[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000336778985 386483045 /nfs/dbraw/zinc/48/30/45/386483045.db2.gz MXBFPXCDCRRVQI-VIFPVBQESA-N 0 1 242.392 2.332 20 0 BEADMN Cc1cnccc1CCN1C[C@@H](C)OC(C)(C)C1 ZINC000335430055 386486939 /nfs/dbraw/zinc/48/69/39/386486939.db2.gz SEIQUWHRTNKKJC-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CCC[N@H+](Cc1ncccc1[O-])C1CC1 ZINC000519568390 386489999 /nfs/dbraw/zinc/48/99/99/386489999.db2.gz RCMOZENMTJXMFT-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CCC[N@@H+](Cc1ncccc1[O-])C1CC1 ZINC000519568390 386490003 /nfs/dbraw/zinc/49/00/03/386490003.db2.gz RCMOZENMTJXMFT-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)o1 ZINC000335433917 386491683 /nfs/dbraw/zinc/49/16/83/386491683.db2.gz LGWJTHJDPGIBQM-LBPRGKRZSA-N 0 1 235.327 2.467 20 0 BEADMN Cc1csc(C2(NCC[C@@H](C)O)CCC2)n1 ZINC000336779398 386496470 /nfs/dbraw/zinc/49/64/70/386496470.db2.gz OEBKOLRMRJLJDV-SNVBAGLBSA-N 0 1 240.372 2.191 20 0 BEADMN Cc1cnn([C@H]2CCN(Cc3cncs3)C2)c1 ZINC000291000922 386497417 /nfs/dbraw/zinc/49/74/17/386497417.db2.gz VYZPQJFJQPHALK-NSHDSACASA-N 0 1 248.355 2.095 20 0 BEADMN CC(C)[C@@H](O)CN1CCOC[C@H]1c1ccccc1 ZINC000336790623 386501979 /nfs/dbraw/zinc/50/19/79/386501979.db2.gz XNCYXWFDXYVBRY-GJZGRUSLSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)n[nH]1 ZINC000291023772 386502778 /nfs/dbraw/zinc/50/27/78/386502778.db2.gz DPDUIXZLRZCVJN-LBPRGKRZSA-N 0 1 245.326 2.123 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)n[nH]1 ZINC000291023769 386503364 /nfs/dbraw/zinc/50/33/64/386503364.db2.gz DPDUIXZLRZCVJN-GFCCVEGCSA-N 0 1 245.326 2.123 20 0 BEADMN CCC[C@@H](NC(=O)[C@@H]1CCCN1C)C(C)(C)C ZINC000456119955 386507609 /nfs/dbraw/zinc/50/76/09/386507609.db2.gz SMEVPRXSCGWFLO-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN c1nc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c[nH]1 ZINC000366454555 386507909 /nfs/dbraw/zinc/50/79/09/386507909.db2.gz DCZXFWGXJBZSPS-STQMWFEESA-N 0 1 249.358 2.048 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C(=O)[O-] ZINC000335444752 386508878 /nfs/dbraw/zinc/50/88/78/386508878.db2.gz URCHOPBOJPEEQF-ONGXEEELSA-N 0 1 239.340 2.291 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)[C@H]2C2CC2)n[nH]1 ZINC000291085363 386512068 /nfs/dbraw/zinc/51/20/68/386512068.db2.gz KEMIECCJHIKSOT-GFCCVEGCSA-N 0 1 247.342 2.233 20 0 BEADMN CCC[C@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000525865279 386512496 /nfs/dbraw/zinc/51/24/96/386512496.db2.gz XIMBEQHPGYCFQR-VIFPVBQESA-N 0 1 246.314 2.219 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)[nH]1 ZINC000291141025 386515999 /nfs/dbraw/zinc/51/59/99/386515999.db2.gz PBICATIXYZWYBS-GFCCVEGCSA-N 0 1 245.326 2.123 20 0 BEADMN CCN(CC(C)(C)C)C(=O)c1cnc(C)[nH]1 ZINC000291151477 386519141 /nfs/dbraw/zinc/51/91/41/386519141.db2.gz HFXWQYZAYINKCS-UHFFFAOYSA-N 0 1 223.320 2.226 20 0 BEADMN CC(C)n1cc(CN2CC[C@H](CC3CC3)C2)nn1 ZINC000339681444 386519190 /nfs/dbraw/zinc/51/91/90/386519190.db2.gz HQPQDQLZMPILMS-CYBMUJFWSA-N 0 1 248.374 2.481 20 0 BEADMN CCc1ccc(CN2CC[C@H](n3cccn3)C2)o1 ZINC000291238402 386525374 /nfs/dbraw/zinc/52/53/74/386525374.db2.gz KZQGXWVSKWWGSA-LBPRGKRZSA-N 0 1 245.326 2.486 20 0 BEADMN CC[C@H](O)CNCc1ncc(C(C)C)s1 ZINC000336754865 386525623 /nfs/dbraw/zinc/52/56/23/386525623.db2.gz HRZVICDAGRNAPM-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN CSCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000266578592 386453335 /nfs/dbraw/zinc/45/33/35/386453335.db2.gz GTQQJURQCCLMTF-ZDUSSCGKSA-N 0 1 239.384 2.405 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C)cc1 ZINC000299482657 386459335 /nfs/dbraw/zinc/45/93/35/386459335.db2.gz DBDRBKJTXQCHKQ-GXTWGEPZSA-N 0 1 246.354 2.266 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CCC(C)(C)O1 ZINC000299503466 386459349 /nfs/dbraw/zinc/45/93/49/386459349.db2.gz BTBYDDVDDHSHOB-ZDUSSCGKSA-N 0 1 234.343 2.471 20 0 BEADMN CCc1ncc(CN(C)CC[C@@H]2CCCO2)cn1 ZINC000414437826 386461677 /nfs/dbraw/zinc/46/16/77/386461677.db2.gz QLBFKHDWVDIGMO-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN CCN(Cc1cc(C)ccn1)[C@@H]1CCOC1 ZINC000643399600 386464086 /nfs/dbraw/zinc/46/40/86/386464086.db2.gz RHDURUCRGFVBIT-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)[C@H](CO)NCc1nc(C2CC2)cs1 ZINC000336727596 386464274 /nfs/dbraw/zinc/46/42/74/386464274.db2.gz CAZIUKPDYWBRJO-JTQLQIEISA-N 0 1 240.372 2.127 20 0 BEADMN Cc1ccc(NC(=O)N2CCN[C@H](C)C2)c(C)c1 ZINC000335414618 386579942 /nfs/dbraw/zinc/57/99/42/386579942.db2.gz OTRNYZOJGVWQJO-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN COCc1cc(CN[C@H]2CCC[C@@H](F)C2)no1 ZINC000648048617 386580309 /nfs/dbraw/zinc/58/03/09/386580309.db2.gz USUFMEVOYWKZEC-ZJUUUORDSA-N 0 1 242.294 2.191 20 0 BEADMN Cc1cnc(CN2CC[C@H](c3cccnc3)C2)o1 ZINC000335417325 386583603 /nfs/dbraw/zinc/58/36/03/386583603.db2.gz OQZDGFKGFSINEM-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1occc1CNCc1n[nH]c(C(C)(C)C)n1 ZINC000414458433 386584044 /nfs/dbraw/zinc/58/40/44/386584044.db2.gz HNRGAXDOEDDYFE-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN Cc1ccc(NC(=O)N2CCNC[C@H]2C)cc1C ZINC000335417081 386585068 /nfs/dbraw/zinc/58/50/68/386585068.db2.gz WEKCFWIVEYAWQR-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1ccc(CN2CCCO[C@@H](C(C)C)C2)nn1 ZINC000414459254 386585706 /nfs/dbraw/zinc/58/57/06/386585706.db2.gz ORGFEKLSAAMRFT-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC2CCCC2)cc1 ZINC000228074933 386539461 /nfs/dbraw/zinc/53/94/61/386539461.db2.gz VWADXLQDEPNFGC-CYBMUJFWSA-N 0 1 232.327 2.054 20 0 BEADMN CCOCCCN[C@H](C)c1c(F)cncc1F ZINC000353225267 386540969 /nfs/dbraw/zinc/54/09/69/386540969.db2.gz DHLWEGYULJDLGM-SECBINFHSA-N 0 1 244.285 2.437 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000228088463 386542244 /nfs/dbraw/zinc/54/22/44/386542244.db2.gz UIBVWJJJZIDNBH-MBNYWOFBSA-N 0 1 246.354 2.109 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H](N)c2ccc(C)cc2)C1 ZINC000228090132 386542322 /nfs/dbraw/zinc/54/23/22/386542322.db2.gz PXUPMNZULVMUHQ-JSGCOSHPSA-N 0 1 246.354 2.253 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC000519758838 386547028 /nfs/dbraw/zinc/54/70/28/386547028.db2.gz JJVVOKOQAQAIDX-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN Cc1csc(CN2CCC[C@H]2C[C@H](C)O)n1 ZINC000228145173 386547433 /nfs/dbraw/zinc/54/74/33/386547433.db2.gz JJPJOQLDJOZOQM-QWRGUYRKSA-N 0 1 240.372 2.187 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCCC12CCC2 ZINC000335465314 386551101 /nfs/dbraw/zinc/55/11/01/386551101.db2.gz RMWNIGKHCQJMIZ-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN Cc1cn[nH]c1CN1CCc2cc(F)ccc21 ZINC000291500813 386551159 /nfs/dbraw/zinc/55/11/59/386551159.db2.gz HLCAMLZSPRMZQP-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000336927697 386551833 /nfs/dbraw/zinc/55/18/33/386551833.db2.gz NAGLKTVEZWVDHI-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C ZINC000336927695 386553424 /nfs/dbraw/zinc/55/34/24/386553424.db2.gz NAGLKTVEZWVDHI-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000291538177 386556582 /nfs/dbraw/zinc/55/65/82/386556582.db2.gz KZXBQIJMBBIXFL-SECBINFHSA-N 0 1 247.264 2.492 20 0 BEADMN Cn1cncc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000267589227 386557664 /nfs/dbraw/zinc/55/76/64/386557664.db2.gz IRWMCNWPKVFWFZ-ZDUSSCGKSA-N 0 1 230.315 2.085 20 0 BEADMN Cn1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000291590494 386558297 /nfs/dbraw/zinc/55/82/97/386558297.db2.gz PSQUWNGDLWXAHP-UONOGXRCSA-N 0 1 248.370 2.415 20 0 BEADMN Cc1nc(F)ccc1CN1CCCSCC1 ZINC000278646965 386559861 /nfs/dbraw/zinc/55/98/61/386559861.db2.gz LXXCIUHPHFABMM-UHFFFAOYSA-N 0 1 240.347 2.468 20 0 BEADMN CC(C)n1cncc1CN(C)[C@H]1CCSC1 ZINC000425321222 386560008 /nfs/dbraw/zinc/56/00/08/386560008.db2.gz DSKNIJOQYYUTQL-NSHDSACASA-N 0 1 239.388 2.401 20 0 BEADMN CC1(C[N@H+]2CCO[C@]3(CCSC3)C2)CCC1 ZINC000335407936 386568439 /nfs/dbraw/zinc/56/84/39/386568439.db2.gz KDTYRXDFERVXAW-CYBMUJFWSA-N 0 1 241.400 2.385 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000267680442 386571974 /nfs/dbraw/zinc/57/19/74/386571974.db2.gz PGSDFGVAXLWOIP-NXEZZACHSA-N 0 1 235.331 2.261 20 0 BEADMN CCC1CCN(Cc2cnc(OC)nc2C)CC1 ZINC000337132938 386620806 /nfs/dbraw/zinc/62/08/06/386620806.db2.gz KODBJRPVRNBISO-UHFFFAOYSA-N 0 1 249.358 2.416 20 0 BEADMN Cc1ccoc1CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268122950 386622731 /nfs/dbraw/zinc/62/27/31/386622731.db2.gz MTIWFTDOYHRYHQ-YPMHNXCESA-N 0 1 234.343 2.160 20 0 BEADMN CN(Cc1cc(F)ccc1F)C1(CO)CCC1 ZINC000292138259 386625547 /nfs/dbraw/zinc/62/55/47/386625547.db2.gz MDLDSLWEPWEYKO-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN COC1(CN2CCO[C@@H](CF)C2)CCCCC1 ZINC000414466701 386628778 /nfs/dbraw/zinc/62/87/78/386628778.db2.gz BWLWXLCTVRWGKU-LBPRGKRZSA-N 0 1 245.338 2.006 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@H](C)c1cc(C)on1 ZINC000284028805 386629759 /nfs/dbraw/zinc/62/97/59/386629759.db2.gz JEPYVJSVMAGZEY-MKPLZMMCSA-N 0 1 226.320 2.041 20 0 BEADMN CC(C)(C)c1cnc(CNCCCCO)s1 ZINC000279090117 386629847 /nfs/dbraw/zinc/62/98/47/386629847.db2.gz ICWJZGXDSNPTOI-UHFFFAOYSA-N 0 1 242.388 2.303 20 0 BEADMN CCC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCC1 ZINC000268232084 386631947 /nfs/dbraw/zinc/63/19/47/386631947.db2.gz SLRFYMIODSZGTF-SNVBAGLBSA-N 0 1 247.342 2.279 20 0 BEADMN Cc1cnc(CNC[C@@]2(C)CCCC[C@@H]2O)o1 ZINC000638724820 386635545 /nfs/dbraw/zinc/63/55/45/386635545.db2.gz BWDSRKNYYRXZIE-WCQYABFASA-N 0 1 238.331 2.014 20 0 BEADMN Cc1nc(CN(C)Cc2ccc(C)cc2)n[nH]1 ZINC000268264976 386635668 /nfs/dbraw/zinc/63/56/68/386635668.db2.gz FTJXRABJPCEDTO-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC1CC=CC1 ZINC000638494337 386638462 /nfs/dbraw/zinc/63/84/62/386638462.db2.gz WDTPYACHYAARMS-AWEZNQCLSA-N 0 1 244.338 2.077 20 0 BEADMN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000279144821 386640474 /nfs/dbraw/zinc/64/04/74/386640474.db2.gz ZNYRANFPIPFDOH-WCBMZHEXSA-N 0 1 248.330 2.296 20 0 BEADMN Cc1nc(CN(C)[C@H](C)c2cccs2)n[nH]1 ZINC000292280922 386642739 /nfs/dbraw/zinc/64/27/39/386642739.db2.gz XVJRFOIZFNMOLR-MRVPVSSYSA-N 0 1 236.344 2.368 20 0 BEADMN CC[C@@H](NC[C@@H]1CCCO1)c1nccs1 ZINC000045206168 386643371 /nfs/dbraw/zinc/64/33/71/386643371.db2.gz ZFHYGFPIOJLJTR-VHSXEESVSA-N 0 1 226.345 2.363 20 0 BEADMN Cc1ccnc(NCCCc2cnn(C)c2)c1 ZINC000268340566 386646066 /nfs/dbraw/zinc/64/60/66/386646066.db2.gz RVUVEKLFBYXKNP-UHFFFAOYSA-N 0 1 230.315 2.168 20 0 BEADMN CC[C@H]1CCN1Cc1cccc2c1OCCO2 ZINC000292325101 386650261 /nfs/dbraw/zinc/65/02/61/386650261.db2.gz FSWDBENIVYHRQQ-LBPRGKRZSA-N 0 1 233.311 2.442 20 0 BEADMN CCC[N@H+](Cc1ccc(C)cn1)[C@H]1CCN(C)C1 ZINC000648056296 386652697 /nfs/dbraw/zinc/65/26/97/386652697.db2.gz BSVXMPLGUVWYMP-HNNXBMFYSA-N 0 1 247.386 2.306 20 0 BEADMN Cc1nsc(Nc2cn(C)nc2C2CC2)n1 ZINC000292345384 386653295 /nfs/dbraw/zinc/65/32/95/386653295.db2.gz NXYLXXYYQQSCSA-UHFFFAOYSA-N 0 1 235.316 2.201 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](F)C2)c1C ZINC000335518748 386654647 /nfs/dbraw/zinc/65/46/47/386654647.db2.gz FWHWVFAZTVNQQM-NXEZZACHSA-N 0 1 239.294 2.037 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@H](C)C2)nc1 ZINC000335487046 386603454 /nfs/dbraw/zinc/60/34/54/386603454.db2.gz YLMUXTVTBYWEJG-VXGBXAGGSA-N 0 1 219.332 2.263 20 0 BEADMN C[C@]1(C(=O)Nc2ccc3nc[nH]c3c2)CCCO1 ZINC000267963666 386604624 /nfs/dbraw/zinc/60/46/24/386604624.db2.gz MNYKEYZGHILLKN-CYBMUJFWSA-N 0 1 245.282 2.071 20 0 BEADMN CCC(=O)CCCN(C)[C@@H](C)c1cnn(C)c1 ZINC000450695824 386606411 /nfs/dbraw/zinc/60/64/11/386606411.db2.gz FNKNPNPECRHMET-NSHDSACASA-N 0 1 237.347 2.172 20 0 BEADMN CCc1csc(N2CCN(CC)C[C@@H]2C)n1 ZINC000343246183 386607170 /nfs/dbraw/zinc/60/71/70/386607170.db2.gz DGGUMQRQSMGQLE-JTQLQIEISA-N 0 1 239.388 2.236 20 0 BEADMN CCC1(CC)CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC000268002530 386608092 /nfs/dbraw/zinc/60/80/92/386608092.db2.gz CXMWIFDBWMYTMC-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN CN(Cc1cccc(F)c1F)C1(CO)CCC1 ZINC000292064071 386617182 /nfs/dbraw/zinc/61/71/82/386617182.db2.gz CWTVWTVCHNSCTO-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN CO[C@@H](CN1CCCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000644926563 386618782 /nfs/dbraw/zinc/61/87/82/386618782.db2.gz VKRWMHFFUXQJLS-OLZOCXBDSA-N 0 1 249.358 2.362 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CCc1cccc(Cl)c1 ZINC000049830810 386659299 /nfs/dbraw/zinc/65/92/99/386659299.db2.gz RQWWBMBFWBWEOT-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)C(C)(C)C1 ZINC000520426905 386671481 /nfs/dbraw/zinc/67/14/81/386671481.db2.gz VJQTXFFKLVZBDF-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnc([C@@H](C)N(C)CC2(O)CCCC2)o1 ZINC000357000219 386682550 /nfs/dbraw/zinc/68/25/50/386682550.db2.gz CWWMICQIZORSFW-LLVKDONJSA-N 0 1 238.331 2.281 20 0 BEADMN Cc1ccc(F)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292477613 386677552 /nfs/dbraw/zinc/67/75/52/386677552.db2.gz RWYDHJBSARTXLR-FZMZJTMJSA-N 0 1 237.318 2.479 20 0 BEADMN CC[C@@H](C)N(CC(=O)OC)[C@H]1C=CCCC1 ZINC000337250402 386678113 /nfs/dbraw/zinc/67/81/13/386678113.db2.gz QSKDPOOUQADNOU-NEPJUHHUSA-N 0 1 225.332 2.369 20 0 BEADMN CCN(CC(C)(C)O)[C@@H](C)c1ncc(C)o1 ZINC000357000215 386680933 /nfs/dbraw/zinc/68/09/33/386680933.db2.gz LMBMZPIFDUBYGK-JTQLQIEISA-N 0 1 226.320 2.137 20 0 BEADMN Cc1cn[nH]c1CNc1cnn(CC(C)C)c1C ZINC000352834501 386681283 /nfs/dbraw/zinc/68/12/83/386681283.db2.gz ITCDBHFNRGVFGB-UHFFFAOYSA-N 0 1 247.346 2.491 20 0 BEADMN COC(=O)CN(C[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000357004079 386681290 /nfs/dbraw/zinc/68/12/90/386681290.db2.gz OYKMBCUFAYHGFB-RYUDHWBXSA-N 0 1 239.359 2.450 20 0 BEADMN c1ccc([C@@H]2CN(CC3CC3)CCO2)cc1 ZINC000268680278 386682851 /nfs/dbraw/zinc/68/28/51/386682851.db2.gz MHSKYWCMADRKAM-AWEZNQCLSA-N 0 1 217.312 2.470 20 0 BEADMN Cc1cc(C(=O)Nc2c(C)noc2C2CC2)on1 ZINC000329581307 386709346 /nfs/dbraw/zinc/70/93/46/386709346.db2.gz LFZNVKMREYPUJM-UHFFFAOYSA-N 0 1 247.254 2.409 20 0 BEADMN CC[C@@H](C(=O)Nc1sc(C)nc1C)N(C)C ZINC000268880395 386710343 /nfs/dbraw/zinc/71/03/43/386710343.db2.gz MQXXKCXUKQJQMJ-VIFPVBQESA-N 0 1 241.360 2.039 20 0 BEADMN Cc1ccnc(NCCCn2ccnc2)c1 ZINC000043561438 386711453 /nfs/dbraw/zinc/71/14/53/386711453.db2.gz WQYLNQJCVCGIGL-UHFFFAOYSA-N 0 1 216.288 2.089 20 0 BEADMN CC[C@H]1CCC[C@@H](CNCC(F)(F)CN)C1 ZINC000414927440 386683377 /nfs/dbraw/zinc/68/33/77/386683377.db2.gz LCMCJNCCFKZXFX-WDEREUQCSA-N 0 1 234.334 2.386 20 0 BEADMN CC(C)c1ccc(C(=O)NCCN2CCC2)cc1 ZINC000337270605 386684987 /nfs/dbraw/zinc/68/49/87/386684987.db2.gz AJSHAXKRAGADJS-UHFFFAOYSA-N 0 1 246.354 2.246 20 0 BEADMN CC(C)(C)c1[nH]ncc1C(=O)Nc1cccnc1 ZINC000292700318 386712409 /nfs/dbraw/zinc/71/24/09/386712409.db2.gz NRQUJIQBZWBREE-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCCCC1)c1ncn(C)n1 ZINC000391914001 386696558 /nfs/dbraw/zinc/69/65/58/386696558.db2.gz BWQFHPKGKCJRCM-WDEREUQCSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ncn(C)n1 ZINC000391942627 386700769 /nfs/dbraw/zinc/70/07/69/386700769.db2.gz SHQGICKKWZWZAR-WYUUTHIRSA-N 0 1 236.363 2.290 20 0 BEADMN CO[C@H](C)c1noc(CN[C@H]2CCC[C@@H]2C)n1 ZINC000330400433 386703548 /nfs/dbraw/zinc/70/35/48/386703548.db2.gz JRHKISJICHDPPJ-AEJSXWLSSA-N 0 1 239.319 2.055 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000520606848 386705494 /nfs/dbraw/zinc/70/54/94/386705494.db2.gz WDSNXNSKTIXXMF-GMXVVIOVSA-N 0 1 249.358 2.235 20 0 BEADMN COC[C@H](N[C@@H](C)[C@H](C)OC)c1ccc(C)o1 ZINC000269003613 386735694 /nfs/dbraw/zinc/73/56/94/386735694.db2.gz VPAZKJYHKGVWHU-SRVKXCTJSA-N 0 1 241.331 2.289 20 0 BEADMN COc1ncncc1CN([C@H](C)C(C)C)C1CC1 ZINC000647999083 386737857 /nfs/dbraw/zinc/73/78/57/386737857.db2.gz YZCFACMYTUDNCP-LLVKDONJSA-N 0 1 249.358 2.494 20 0 BEADMN COC(=O)c1ccoc1CNC1(C(C)C)CC1 ZINC000292859033 386738601 /nfs/dbraw/zinc/73/86/01/386738601.db2.gz ANSVHHNOBFGOEA-UHFFFAOYSA-N 0 1 237.299 2.344 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)[C@H]1C ZINC000292869568 386738776 /nfs/dbraw/zinc/73/87/76/386738776.db2.gz AXKRIZHFUQOUCD-ZDMBXUJBSA-N 0 1 241.281 2.338 20 0 BEADMN Cc1nc(C)c(CN(C)[C@@H]2CCCOC2)s1 ZINC000334539235 386739401 /nfs/dbraw/zinc/73/94/01/386739401.db2.gz LSASAIWPDVQBSI-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN CC(=O)NCCN(C)Cc1coc2ccccc12 ZINC000648062903 386713055 /nfs/dbraw/zinc/71/30/55/386713055.db2.gz CZUISWNLXBAQOS-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN C[C@@H]1COCCN1Cc1cccc2ncccc12 ZINC000639125570 386713437 /nfs/dbraw/zinc/71/34/37/386713437.db2.gz NOIVPYLEQFFUEQ-GFCCVEGCSA-N 0 1 242.322 2.456 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000353744310 386719021 /nfs/dbraw/zinc/71/90/21/386719021.db2.gz ZVLKHNKEOCHDED-QWHCGFSZSA-N 0 1 242.326 2.040 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000279691370 386720652 /nfs/dbraw/zinc/72/06/52/386720652.db2.gz HYWZDUNHRXDPAM-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)(C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268924391 386721592 /nfs/dbraw/zinc/72/15/92/386721592.db2.gz DJQFXKSEYFTNNK-JTQLQIEISA-N 0 1 235.331 2.340 20 0 BEADMN c1nc(CN2CCC[C@@H]3CCC[C@@H]32)co1 ZINC000191936942 386722429 /nfs/dbraw/zinc/72/24/29/386722429.db2.gz DMZIODLPKAKANM-JQWIXIFHSA-N 0 1 206.289 2.439 20 0 BEADMN CC(C)(C)[C@H]1CN(CCc2ccncc2)CCO1 ZINC000279712566 386724698 /nfs/dbraw/zinc/72/46/98/386724698.db2.gz ICMAJVPHOSXMCX-CQSZACIVSA-N 0 1 248.370 2.371 20 0 BEADMN c1snnc1CNC[C@@H]1CCC[C@@H]1C1CC1 ZINC000414489503 386725330 /nfs/dbraw/zinc/72/53/30/386725330.db2.gz WHFSAZBAZXZNFR-CMPLNLGQSA-N 0 1 237.372 2.454 20 0 BEADMN CCN(CC(=O)NCC(C)(C)CC)C1CC1 ZINC000190890300 386747174 /nfs/dbraw/zinc/74/71/74/386747174.db2.gz VFRQVAGEKHHQHE-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccn(C(F)F)n2)CS1 ZINC000414498758 386747602 /nfs/dbraw/zinc/74/76/02/386747602.db2.gz NKQFUGVORLQJBS-VXNVDRBHSA-N 0 1 247.314 2.262 20 0 BEADMN Fc1ccc(CCNCc2cocn2)cc1 ZINC000192279485 386750780 /nfs/dbraw/zinc/75/07/80/386750780.db2.gz KNBDTVGJYDJBFM-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN CC(C)[C@H](O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000292923024 386750966 /nfs/dbraw/zinc/75/09/66/386750966.db2.gz LWMVRZYLHNKWHM-CQSZACIVSA-N 0 1 234.343 2.063 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)N1CCNC[C@H]1C ZINC000125038692 386754665 /nfs/dbraw/zinc/75/46/65/386754665.db2.gz NRIYSDBBHVXVQX-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ccn(C)n1)CC(C)C ZINC000417385958 386757667 /nfs/dbraw/zinc/75/76/67/386757667.db2.gz YGSDDYDOUNMALT-NWDGAFQWSA-N 0 1 239.363 2.132 20 0 BEADMN CCO[C@@H](CCNCc1cocn1)C(C)C ZINC000192321498 386764300 /nfs/dbraw/zinc/76/43/00/386764300.db2.gz VNVJAGRQJQAQFN-LBPRGKRZSA-N 0 1 226.320 2.215 20 0 BEADMN Cc1ccncc1CN1CCC[C@H]1CF ZINC000293020912 386764599 /nfs/dbraw/zinc/76/45/99/386764599.db2.gz KNHGZYSAKZXTPD-LBPRGKRZSA-N 0 1 208.280 2.324 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)CC2)ncn1 ZINC000293001684 386765351 /nfs/dbraw/zinc/76/53/51/386765351.db2.gz ZEFGYLPAFRUXAP-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN c1nc(CNCCC[C@@H]2CCCCO2)co1 ZINC000192343746 386767200 /nfs/dbraw/zinc/76/72/00/386767200.db2.gz FUABOBRLXNUVRP-LBPRGKRZSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@@H](NCC(F)(F)CO)C1 ZINC000228650577 386794901 /nfs/dbraw/zinc/79/49/01/386794901.db2.gz QBOIBSSUGYXUQQ-BBBLOLIVSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@H]2C)n1 ZINC000336761585 386771022 /nfs/dbraw/zinc/77/10/22/386771022.db2.gz NNOSMOHHBQCFSD-KHQFGBGNSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CCC[C@@H]2C)n1 ZINC000336761586 386772319 /nfs/dbraw/zinc/77/23/19/386772319.db2.gz NNOSMOHHBQCFSD-NRPADANISA-N 0 1 209.293 2.217 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1ccoc1C(C)C ZINC000280092878 386777806 /nfs/dbraw/zinc/77/78/06/386777806.db2.gz SUZFKAUCZQGREK-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN Cc1cc(CN2CCC[N@H+](C)CC2)ccc1F ZINC000269334173 386779914 /nfs/dbraw/zinc/77/99/14/386779914.db2.gz DADVWVMYNHGXCJ-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN FC(F)(F)C1=CCN(Cc2cnc[nH]2)CC1 ZINC000280181186 386786464 /nfs/dbraw/zinc/78/64/64/386786464.db2.gz HBAWZXCIEZDAMX-UHFFFAOYSA-N 0 1 231.221 2.104 20 0 BEADMN CSCCCN[C@@H](C)c1nnc(C)s1 ZINC000336672123 386824655 /nfs/dbraw/zinc/82/46/55/386824655.db2.gz ZQJYZOWPDYMWJR-ZETCQYMHSA-N 0 1 231.390 2.250 20 0 BEADMN CC(C)C[C@@H](C)C(=O)NCCN1CC=CCC1 ZINC000357636911 386818390 /nfs/dbraw/zinc/81/83/90/386818390.db2.gz RKOLOQQKNAVMIU-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN COc1ncncc1CN1CCC[C@H](C)[C@@H]1C ZINC000648005251 386820744 /nfs/dbraw/zinc/82/07/44/386820744.db2.gz YKMFEMGRXIDVAL-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366586165 386821037 /nfs/dbraw/zinc/82/10/37/386821037.db2.gz HTDIXZCMTZGIND-ZIAGYGMSSA-N 0 1 241.375 2.447 20 0 BEADMN CC[C@@H](C)CN(CC)c1ncnc2[nH]cnc21 ZINC000357512946 386797412 /nfs/dbraw/zinc/79/74/12/386797412.db2.gz MUCYDBRXPNWUSS-SECBINFHSA-N 0 1 233.319 2.225 20 0 BEADMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cncc(F)c1 ZINC000280306118 386801153 /nfs/dbraw/zinc/80/11/53/386801153.db2.gz WJDYOKDYZXXGGR-ZDUSSCGKSA-N 0 1 240.322 2.060 20 0 BEADMN CC(C(=O)NCC[N@@H+]1CC=CCC1)=C1CCCC1 ZINC000280305765 386802484 /nfs/dbraw/zinc/80/24/84/386802484.db2.gz SIWHBAYNPVKMHT-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC(C(=O)NCCN1CC=CCC1)=C1CCCC1 ZINC000280305765 386802494 /nfs/dbraw/zinc/80/24/94/386802494.db2.gz SIWHBAYNPVKMHT-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN O[C@H](CNCc1ncc(Cl)s1)C1CCC1 ZINC000315747766 386804766 /nfs/dbraw/zinc/80/47/66/386804766.db2.gz MQFRJBCGFNYQAS-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN CC(=O)N1CCC[C@@H](CNc2cccc(C)n2)C1 ZINC000280414087 386810994 /nfs/dbraw/zinc/81/09/94/386810994.db2.gz JJHAMBLYSIIADR-ZDUSSCGKSA-N 0 1 247.342 2.060 20 0 BEADMN C[C@H](N[C@@H](C)C1CCC1)c1csnn1 ZINC000398438682 386827019 /nfs/dbraw/zinc/82/70/19/386827019.db2.gz WXALURQHZUVXIT-YUMQZZPRSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)[C@H]1C ZINC000293495626 386827316 /nfs/dbraw/zinc/82/73/16/386827316.db2.gz TZHXNEPIFWBXTQ-MBNYWOFBSA-N 0 1 246.354 2.156 20 0 BEADMN Cc1nn(C)c2ncc(CN3[C@H](C)C[C@H]3C)cc12 ZINC000334778300 386831516 /nfs/dbraw/zinc/83/15/16/386831516.db2.gz QQPUHKZRBUFPCZ-NXEZZACHSA-N 0 1 244.342 2.259 20 0 BEADMN C[C@H](CO)CNc1ccnc2cc(F)ccc21 ZINC000301286546 386831581 /nfs/dbraw/zinc/83/15/81/386831581.db2.gz RRDGOWZLKXWODH-VIFPVBQESA-N 0 1 234.274 2.414 20 0 BEADMN COC(=O)c1ccccc1CN1C[C@H](C)[C@@H]1C ZINC000293535579 386832404 /nfs/dbraw/zinc/83/24/04/386832404.db2.gz XKZMEUHOTGLNFH-QWRGUYRKSA-N 0 1 233.311 2.313 20 0 BEADMN C[C@H](Cc1ccccc1)CN1CCO[C@@H]2C[C@@H]21 ZINC000366556331 386834412 /nfs/dbraw/zinc/83/44/12/386834412.db2.gz GSADMGXUMFNONM-VHDGCEQUSA-N 0 1 231.339 2.338 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(F)ccc1C ZINC000293553863 386835438 /nfs/dbraw/zinc/83/54/38/386835438.db2.gz LJZPUEHDGVJALV-ZDUSSCGKSA-N 0 1 223.291 2.355 20 0 BEADMN CC(C)c1nc(CS[C@H]2CCO[C@@H]2C)n[nH]1 ZINC000330195370 386837316 /nfs/dbraw/zinc/83/73/16/386837316.db2.gz PCTZMBNJMIUAHF-BDAKNGLRSA-N 0 1 241.360 2.339 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccn(C(C)C)n1 ZINC000280703832 386838654 /nfs/dbraw/zinc/83/86/54/386838654.db2.gz IBYFWJDGKNGCKV-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN C[C@H](CC1CCCCC1)NC(=O)CN(C)C ZINC000192557704 386840001 /nfs/dbraw/zinc/84/00/01/386840001.db2.gz PEDJOUOUCUKAMZ-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CN(CCC2=CCCCC2)CC(=O)N1C ZINC000450921071 386840689 /nfs/dbraw/zinc/84/06/89/386840689.db2.gz DKSGVHSQEFRSRI-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN COC[C@H]1CC[N@H+]1CCCc1ccccc1OC ZINC000293567602 386841234 /nfs/dbraw/zinc/84/12/34/386841234.db2.gz MSPSWZMLJCQSQO-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)c1ccoc1C(=O)NCc1cnc[nH]1 ZINC000339955551 386841353 /nfs/dbraw/zinc/84/13/53/386841353.db2.gz OQGMWUOMRMYDHR-UHFFFAOYSA-N 0 1 233.271 2.056 20 0 BEADMN COC1CCN(Cc2cncn2C(C)C)CC1 ZINC000425331749 386844988 /nfs/dbraw/zinc/84/49/88/386844988.db2.gz YESWJBYMAAOKRT-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1sccc1CN(C)[C@H](C)C[S@@](C)=O ZINC000293606884 386845176 /nfs/dbraw/zinc/84/51/76/386845176.db2.gz LMVHOQSEHYRTSH-RFAUZJTJSA-N 0 1 245.413 2.255 20 0 BEADMN c1nc2c(ncnc2N2CCC3(CCCC3)C2)[nH]1 ZINC000301472186 386848567 /nfs/dbraw/zinc/84/85/67/386848567.db2.gz PYJKSTZTLVBWIC-UHFFFAOYSA-N 0 1 243.314 2.123 20 0 BEADMN COc1ncncc1CN1CC[C@H](CC(C)C)C1 ZINC000648008378 386857166 /nfs/dbraw/zinc/85/71/66/386857166.db2.gz FYUQDKOENPBCIH-GFCCVEGCSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1ccoc1CN1CC2(C1)CCOCC2 ZINC000334791828 386858838 /nfs/dbraw/zinc/85/88/38/386858838.db2.gz ITCZBAAYELPROR-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CCOc1ccccc1CN1CC[C@H]1COC ZINC000293707971 386864683 /nfs/dbraw/zinc/86/46/83/386864683.db2.gz XPGNETDPGKDHSF-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN CC(C)(C)n1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)nn1 ZINC000335750679 386876979 /nfs/dbraw/zinc/87/69/79/386876979.db2.gz UEUSHRYZZSFPDQ-DGCLKSJQSA-N 0 1 248.374 2.408 20 0 BEADMN CC(C)(C)n1cc(CN2CC[C@H]3CCC[C@H]32)nn1 ZINC000335750679 386876986 /nfs/dbraw/zinc/87/69/86/386876986.db2.gz UEUSHRYZZSFPDQ-DGCLKSJQSA-N 0 1 248.374 2.408 20 0 BEADMN CC(C)C1(CNC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000331630039 386877227 /nfs/dbraw/zinc/87/72/27/386877227.db2.gz HUYXOTDQSHCCDB-UHFFFAOYSA-N 0 1 249.358 2.240 20 0 BEADMN CN(CCF)C(=O)c1ccc(O)c(Cl)c1 ZINC000293798973 386882823 /nfs/dbraw/zinc/88/28/23/386882823.db2.gz DEZJNLLKBDHQAA-UHFFFAOYSA-N 0 1 231.654 2.087 20 0 BEADMN CC(C)c1ncc(CN2C[C@@H](O)C[C@H]2C)s1 ZINC000334841020 386886757 /nfs/dbraw/zinc/88/67/57/386886757.db2.gz XXCYYSFDSMTCLF-ZJUUUORDSA-N 0 1 240.372 2.222 20 0 BEADMN Cc1occc1CN1CC2(C1)CCCOC2 ZINC000334842325 386888960 /nfs/dbraw/zinc/88/89/60/386888960.db2.gz LSFNROFSZWPDOR-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C)c1ccncc1F ZINC000352887007 386889490 /nfs/dbraw/zinc/88/94/90/386889490.db2.gz FRVWJQFGMSMRGW-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN CC[C@@H](C)CONC(=O)C1=C(C)OCCS1 ZINC000293862982 386890894 /nfs/dbraw/zinc/89/08/94/386890894.db2.gz XXIZJJUDGZPZMC-MRVPVSSYSA-N 0 1 245.344 2.075 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000358238258 386917028 /nfs/dbraw/zinc/91/70/28/386917028.db2.gz FFZZGHDSHLRCBA-KPXOXKRLSA-N 0 1 237.274 2.026 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)C[C@H]2C)n1C ZINC000425355547 386918406 /nfs/dbraw/zinc/91/84/06/386918406.db2.gz MKQCUXMSPKGHHN-GHMZBOCLSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@@H](COC)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358246662 386919704 /nfs/dbraw/zinc/91/97/04/386919704.db2.gz KDTAVHBDLYJSRJ-ZJUUUORDSA-N 0 1 240.351 2.004 20 0 BEADMN C[C@H]1CN(CC2CCCCC2)CC[S@]1=O ZINC000335764290 386905280 /nfs/dbraw/zinc/90/52/80/386905280.db2.gz ALWIUIBZPOWDCX-XHDPSFHLSA-N 0 1 229.389 2.020 20 0 BEADMN CCCCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000330865746 386905850 /nfs/dbraw/zinc/90/58/50/386905850.db2.gz XLQHNDFZVLUSQB-SNVBAGLBSA-N 0 1 238.335 2.228 20 0 BEADMN NC1(c2noc([C@H]3CCC(F)(F)C3)n2)CCC1 ZINC000334855692 386906324 /nfs/dbraw/zinc/90/63/24/386906324.db2.gz ZZMWOUHYIRWGDI-ZETCQYMHSA-N 0 1 243.257 2.310 20 0 BEADMN CNC(C)(C)c1nc(-c2cccc(F)c2)no1 ZINC000061151373 1172657622 /nfs/dbraw/zinc/65/76/22/1172657622.db2.gz HDAGKOWQIJAPSU-UHFFFAOYSA-N 0 1 235.262 2.330 20 0 BEADMN CC[C@H](COC)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358246659 386920230 /nfs/dbraw/zinc/92/02/30/386920230.db2.gz KDTAVHBDLYJSRJ-NXEZZACHSA-N 0 1 240.351 2.004 20 0 BEADMN Cc1csc(-c2nc(C3(N)CCC3)no2)c1 ZINC000334867112 386923733 /nfs/dbraw/zinc/92/37/33/386923733.db2.gz SZCZUWBTJYQGMV-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN COc1ncncc1CN1C[C@H](C)CC[C@@H]1C ZINC000648009467 386924975 /nfs/dbraw/zinc/92/49/75/386924975.db2.gz JHKYZOBAEBNMKE-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CCCCC[C@@H]1CCCN1Cc1cn(C)nn1 ZINC000341580197 386926115 /nfs/dbraw/zinc/92/61/15/386926115.db2.gz XSLWUFQGIAMZNQ-CYBMUJFWSA-N 0 1 236.363 2.360 20 0 BEADMN COc1ncncc1CN1C[C@@H](C)CC[C@@H]1C ZINC000648009468 386926279 /nfs/dbraw/zinc/92/62/79/386926279.db2.gz JHKYZOBAEBNMKE-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C)nn1 ZINC000334869352 386928039 /nfs/dbraw/zinc/92/80/39/386928039.db2.gz VWOSODUHZPSCNF-MFKMUULPSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1ncc(CN2CCC23CCC3)cn1 ZINC000334874443 386935285 /nfs/dbraw/zinc/93/52/85/386935285.db2.gz FUFOZKKSUMFKET-UHFFFAOYSA-N 0 1 217.316 2.167 20 0 BEADMN Cn1cc(CN2CCC3(CCCCC3)CC2)nn1 ZINC000341624896 386937233 /nfs/dbraw/zinc/93/72/33/386937233.db2.gz XLPGGKFGSATKBT-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CC2CCCC2)CCN1C ZINC000334877765 386938189 /nfs/dbraw/zinc/93/81/89/386938189.db2.gz FICOZXYLUPADAS-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](C)[C@H](C)N(Cc1cn(C)nn1)C1CC1 ZINC000341622211 386938374 /nfs/dbraw/zinc/93/83/74/386938374.db2.gz RSRUEHOBZMIZFC-MNOVXSKESA-N 0 1 236.363 2.214 20 0 BEADMN CC[C@H](C)CN(CC)Cc1cncnc1OC ZINC000648012930 386943180 /nfs/dbraw/zinc/94/31/80/386943180.db2.gz ZHAIOABDTHNPNN-NSHDSACASA-N 0 1 237.347 2.353 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341773175 386956653 /nfs/dbraw/zinc/95/66/53/386956653.db2.gz PMBMMLZIZRFXPW-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cn[nH]c1CNc1cnn([C@@H](C)C2CC2)c1 ZINC000352904768 386956802 /nfs/dbraw/zinc/95/68/02/386956802.db2.gz URVXWBAATPNGHD-JTQLQIEISA-N 0 1 245.330 2.498 20 0 BEADMN Cc1occc1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000334826261 386958930 /nfs/dbraw/zinc/95/89/30/386958930.db2.gz ORJIGNCPKRAIKT-LSDHHAIUSA-N 0 1 243.306 2.336 20 0 BEADMN COc1nccc(CNCc2cc(C)cs2)n1 ZINC000395179676 386963033 /nfs/dbraw/zinc/96/30/33/386963033.db2.gz HFPPOIPJEXAUFN-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@H]2C2CCC2)no1 ZINC000425353139 386964387 /nfs/dbraw/zinc/96/43/87/386964387.db2.gz LHPZJZIJMGQMBV-NWDGAFQWSA-N 0 1 206.289 2.261 20 0 BEADMN CC[C@H](NC[C@H]1CCCCO1)c1nccn1C ZINC000341763732 386964341 /nfs/dbraw/zinc/96/43/41/386964341.db2.gz YFEOYCHTETTZCP-NEPJUHHUSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)NCc1cnc[nH]1 ZINC000332281705 386969269 /nfs/dbraw/zinc/96/92/69/386969269.db2.gz ICPZPTWOMOLAJU-JTQLQIEISA-N 0 1 235.331 2.242 20 0 BEADMN Cc1ccncc1CN1CC(CC(F)F)C1 ZINC000425363659 386972540 /nfs/dbraw/zinc/97/25/40/386972540.db2.gz CJRMGPACSZTQQF-UHFFFAOYSA-N 0 1 226.270 2.477 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(CC)C[C@H]1C ZINC000341837995 386975712 /nfs/dbraw/zinc/97/57/12/386975712.db2.gz GYXNHMSKGYCTCR-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](COC(F)F)C1 ZINC000353025141 386980248 /nfs/dbraw/zinc/98/02/48/386980248.db2.gz QNHLFRVPCQMBJB-BDAKNGLRSA-N 0 1 225.254 2.296 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](COC(F)F)C1 ZINC000353025143 386980319 /nfs/dbraw/zinc/98/03/19/386980319.db2.gz QNHLFRVPCQMBJB-DTWKUNHWSA-N 0 1 225.254 2.296 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC000519001971 386982154 /nfs/dbraw/zinc/98/21/54/386982154.db2.gz OEKXAPTYVMJZMQ-STQMWFEESA-N 0 1 233.311 2.197 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@H]1CCCOC1 ZINC000332595634 386993108 /nfs/dbraw/zinc/99/31/08/386993108.db2.gz BRBPJDVJZQPWRI-UWVGGRQHSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@H]1CCCOC1 ZINC000332595634 386993110 /nfs/dbraw/zinc/99/31/10/386993110.db2.gz BRBPJDVJZQPWRI-UWVGGRQHSA-N 0 1 246.314 2.185 20 0 BEADMN c1ncc(CN2CCC(C3CC3)CC2)cn1 ZINC000368639538 386997077 /nfs/dbraw/zinc/99/70/77/386997077.db2.gz VYRUDJASLRXZCY-UHFFFAOYSA-N 0 1 217.316 2.099 20 0 BEADMN CO[C@@H](CN1CCn2cccc2[C@@H]1C)C1CC1 ZINC000425382904 387034921 /nfs/dbraw/zinc/03/49/21/387034921.db2.gz JKWRGPGJWCFOCV-FZMZJTMJSA-N 0 1 234.343 2.290 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000334956684 387036118 /nfs/dbraw/zinc/03/61/18/387036118.db2.gz ZRVMLYIXZXNFHX-LYWQIFSTSA-N 0 1 245.244 2.107 20 0 BEADMN CC(C)n1cncc1CN1CCC[C@]12CCOC2 ZINC000425385679 387037282 /nfs/dbraw/zinc/03/72/82/387037282.db2.gz RVKVGLZHNJDRNT-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000191648360 387038549 /nfs/dbraw/zinc/03/85/49/387038549.db2.gz CUUYTYUKGPYOGO-CIUDSAMLSA-N 0 1 214.334 2.217 20 0 BEADMN Cc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1C ZINC000070075661 387043849 /nfs/dbraw/zinc/04/38/49/387043849.db2.gz HHXRXRZHSXOVML-CHWSQXEVSA-N 0 1 246.354 2.126 20 0 BEADMN Cn1cnc2c1CCN(CCc1ccccc1)C2 ZINC000369771126 387066796 /nfs/dbraw/zinc/06/67/96/387066796.db2.gz FZOKSUUSPFQYED-UHFFFAOYSA-N 0 1 241.338 2.021 20 0 BEADMN COc1ncncc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000648030313 387048404 /nfs/dbraw/zinc/04/84/04/387048404.db2.gz SCJLTNLYPVJHIH-LBPRGKRZSA-N 0 1 249.358 2.496 20 0 BEADMN CCN1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1C ZINC000334966772 387048929 /nfs/dbraw/zinc/04/89/29/387048929.db2.gz FOIWQLYRJNYIKP-STQMWFEESA-N 0 1 247.386 2.183 20 0 BEADMN Cc1cccnc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334967014 387049371 /nfs/dbraw/zinc/04/93/71/387049371.db2.gz KPAKKKREXHHDCS-CYBMUJFWSA-N 0 1 246.354 2.269 20 0 BEADMN C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CC=CCC1 ZINC000333796834 387057199 /nfs/dbraw/zinc/05/71/99/387057199.db2.gz YWPCRVPKBQWAME-CQSZACIVSA-N 0 1 245.326 2.127 20 0 BEADMN CN(C)c1ccccc1CN1CC[C@H](F)C1 ZINC000336222737 387061400 /nfs/dbraw/zinc/06/14/00/387061400.db2.gz GOCVMPQKZGOSPE-LBPRGKRZSA-N 0 1 222.307 2.296 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@@H](C)C(C)C)cc1 ZINC000228075979 387065290 /nfs/dbraw/zinc/06/52/90/387065290.db2.gz PVMPPKBYCIHHSW-WCQYABFASA-N 0 1 234.343 2.156 20 0 BEADMN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1cc(C)on1 ZINC000514608559 387013620 /nfs/dbraw/zinc/01/36/20/387013620.db2.gz VZQLDPWTXITLER-XHVZSJERSA-N 0 1 240.347 2.431 20 0 BEADMN CCC[C@H](C)[C@H](CO)N[C@H](C)c1cc(C)on1 ZINC000514608557 387014481 /nfs/dbraw/zinc/01/44/81/387014481.db2.gz VZQLDPWTXITLER-NDMJEZRESA-N 0 1 240.347 2.431 20 0 BEADMN CCOCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000368833761 387014729 /nfs/dbraw/zinc/01/47/29/387014729.db2.gz KSQHOASAWFUVJN-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN C/C(Cl)=C\CN1CC[C@H](c2cnn(C)c2)C1 ZINC000528378699 387015205 /nfs/dbraw/zinc/01/52/05/387015205.db2.gz BALZGFKFCIZJIL-LFJXOHPOSA-N 0 1 239.750 2.352 20 0 BEADMN CCCCCOC1CN(CC2(O)CCCC2)C1 ZINC000353039175 387016582 /nfs/dbraw/zinc/01/65/82/387016582.db2.gz HZRUWPGAIINBCF-UHFFFAOYSA-N 0 1 241.375 2.183 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)c2ccc(C)cc2)n[nH]1 ZINC000334881887 387025874 /nfs/dbraw/zinc/02/58/74/387025874.db2.gz ZPOUMVZOWMYYHO-XYZCENFISA-N 0 1 249.339 2.290 20 0 BEADMN COC(=O)c1ccc(CN2CCC(C)(C)C2)[nH]1 ZINC000359220264 387069059 /nfs/dbraw/zinc/06/90/59/387069059.db2.gz GGIJCAYWHHHWRT-UHFFFAOYSA-N 0 1 236.315 2.033 20 0 BEADMN C[C@@H]1C[C@@H]1c1noc(C23CCCN2CCC3)n1 ZINC000334981906 387070058 /nfs/dbraw/zinc/07/00/58/387070058.db2.gz SUBIXTVEBGBGHE-ZJUUUORDSA-N 0 1 233.315 2.278 20 0 BEADMN COCc1cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)no1 ZINC000418120370 387071958 /nfs/dbraw/zinc/07/19/58/387071958.db2.gz HMFXZDHVHFLAFB-HBNTYKKESA-N 0 1 238.331 2.297 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@H](C)C(C)C ZINC000359230659 387072688 /nfs/dbraw/zinc/07/26/88/387072688.db2.gz YAIAWSRIVYTTBH-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN COC[C@@H](C)N1CCC[C@H]1c1nccs1 ZINC000369825953 387073032 /nfs/dbraw/zinc/07/30/32/387073032.db2.gz NHGYZAUVXGOLFE-ZJUUUORDSA-N 0 1 226.345 2.315 20 0 BEADMN CC[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186178899 387074695 /nfs/dbraw/zinc/07/46/95/387074695.db2.gz VRKCLJVFKWMEEO-CYBMUJFWSA-N 0 1 231.339 2.305 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000418120603 387074672 /nfs/dbraw/zinc/07/46/72/387074672.db2.gz VZDJCUSGSCTZCQ-KLPPZKSPSA-N 0 1 243.709 2.482 20 0 BEADMN Fc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000334989643 387078265 /nfs/dbraw/zinc/07/82/65/387078265.db2.gz OGLHBZMVCCTLAF-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@]1(C)CCC[C@H]1C ZINC000336240480 387078989 /nfs/dbraw/zinc/07/89/89/387078989.db2.gz BYFVETIYWUJZNY-NOZJJQNGSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1n[nH]c(C)c1CN(C)C[C@@H]1CCCCO1 ZINC000118949484 387081895 /nfs/dbraw/zinc/08/18/95/387081895.db2.gz YJQOQRVXJZABRW-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)cn2)C[C@@H]1C ZINC000336257552 387087946 /nfs/dbraw/zinc/08/79/46/387087946.db2.gz NCTAIVDCNKUCFU-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CCN(Cc2cc(C)no2)CC1(C)C ZINC000336258418 387089589 /nfs/dbraw/zinc/08/95/89/387089589.db2.gz DEMNYIUVRUJUBQ-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN CCSCCN1CC(C(=O)OC(C)(C)C)C1 ZINC000459593094 387094218 /nfs/dbraw/zinc/09/42/18/387094218.db2.gz NCRSRXPBTWTLKU-UHFFFAOYSA-N 0 1 245.388 2.013 20 0 BEADMN Cc1n[nH]cc1CN1CCC(OC2CCC2)CC1 ZINC000418088857 387095564 /nfs/dbraw/zinc/09/55/64/387095564.db2.gz HIMOHSPQYJGVGU-UHFFFAOYSA-N 0 1 249.358 2.252 20 0 BEADMN CCN(CC(=O)N1CCCC[C@@H](C)C1)C1CC1 ZINC000186465871 387096418 /nfs/dbraw/zinc/09/64/18/387096418.db2.gz CNIMQGVPEJXMIP-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CN(Cc2ncccn2)CC(C)(C)C1 ZINC000335003191 387097178 /nfs/dbraw/zinc/09/71/78/387097178.db2.gz NHGPCBRZYWNZDV-NSHDSACASA-N 0 1 219.332 2.345 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C1CCCCC1 ZINC000336265528 387100062 /nfs/dbraw/zinc/10/00/62/387100062.db2.gz ZCYLSQPXTJGAJK-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cnn(CCN2CCC[C@@](C)(F)C2)c1 ZINC000336270119 387104100 /nfs/dbraw/zinc/10/41/00/387104100.db2.gz LNDVSDDRDKMTMR-GFCCVEGCSA-N 0 1 225.311 2.016 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnccc2N)C[C@@H](C)C1 ZINC000335010265 387104907 /nfs/dbraw/zinc/10/49/07/387104907.db2.gz NGCHNYQXMMRVDO-QWRGUYRKSA-N 0 1 247.342 2.002 20 0 BEADMN FC[C@@H]1CN(C[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000418097445 387107479 /nfs/dbraw/zinc/10/74/79/387107479.db2.gz YNGYGQPGAKBCGX-RRFJBIMHSA-N 0 1 249.329 2.460 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1nc2ccccc2o1 ZINC000336278068 387108650 /nfs/dbraw/zinc/10/86/50/387108650.db2.gz JUYHLPKFNNKXAI-NXEZZACHSA-N 0 1 232.283 2.095 20 0 BEADMN C[C@@H](CN1CCN(C)C(=O)[C@@H]1C)CC(C)(C)C ZINC001645358102 1172659597 /nfs/dbraw/zinc/65/95/97/1172659597.db2.gz FNKWCDYEEDIFLL-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCCc2cn[nH]c21)C1CCC1 ZINC000333956220 387109344 /nfs/dbraw/zinc/10/93/44/387109344.db2.gz GVUXUQRDXRHDOF-SKDRFNHKSA-N 0 1 247.342 2.340 20 0 BEADMN C[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)C1CCC1 ZINC000333969484 387118451 /nfs/dbraw/zinc/11/84/51/387118451.db2.gz USOZKKQVHDIMML-QMMMGPOBSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)C1CCC1 ZINC000333969484 387118455 /nfs/dbraw/zinc/11/84/55/387118455.db2.gz USOZKKQVHDIMML-QMMMGPOBSA-N 0 1 248.330 2.447 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H](C2CCCC2)C1 ZINC000335027633 387120231 /nfs/dbraw/zinc/12/02/31/387120231.db2.gz FFBWKDXSBLESKJ-LLVKDONJSA-N 0 1 233.315 2.062 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2=CCCCC2)c1C ZINC000336294924 387123690 /nfs/dbraw/zinc/12/36/90/387123690.db2.gz PGUSQRMZMLIPFJ-UHFFFAOYSA-N 0 1 233.315 2.257 20 0 BEADMN CC/C=C/CCN1CCC[C@]12CCOC2=O ZINC000186702253 387127208 /nfs/dbraw/zinc/12/72/08/387127208.db2.gz KAXAMVLNKZYINH-ITDFMYJTSA-N 0 1 223.316 2.124 20 0 BEADMN C[C@@H](c1ccccc1)N1C[C@@H](CO)OC(C)(C)C1 ZINC000228948424 387132466 /nfs/dbraw/zinc/13/24/66/387132466.db2.gz HSUZBCDXDCHAIE-JSGCOSHPSA-N 0 1 249.354 2.219 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000336319271 387143577 /nfs/dbraw/zinc/14/35/77/387143577.db2.gz BOKPAVLREFQGMK-GWCFXTLKSA-N 0 1 245.326 2.302 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOC3(CCC3)C2)O1 ZINC000187381544 387192710 /nfs/dbraw/zinc/19/27/10/387192710.db2.gz HSPCUQOIIZDYGZ-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000418125196 387151635 /nfs/dbraw/zinc/15/16/35/387151635.db2.gz NGMUUEMZABYBNK-NHCYSSNCSA-N 0 1 236.363 2.083 20 0 BEADMN Cc1cnn(CC[N@@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000336324827 387151835 /nfs/dbraw/zinc/15/18/35/387151835.db2.gz RJPREWPNCFHXCD-VXGBXAGGSA-N 0 1 239.388 2.017 20 0 BEADMN CCCCCNC(=O)CN1CCCC2(CC2)C1 ZINC000186973235 387155430 /nfs/dbraw/zinc/15/54/30/387155430.db2.gz RDUUAGCRASWHMO-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN NC(=O)[C@H](c1ccccc1)N1CCCC2(CC2)C1 ZINC000186958540 387156101 /nfs/dbraw/zinc/15/61/01/387156101.db2.gz AFSSBVQILULDFQ-ZDUSSCGKSA-N 0 1 244.338 2.089 20 0 BEADMN C[C@H](NCC1(C)COC1)c1c(F)cncc1F ZINC000353215369 387157566 /nfs/dbraw/zinc/15/75/66/387157566.db2.gz BSVLKSLEZGUOIJ-QMMMGPOBSA-N 0 1 242.269 2.047 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000336332930 387158669 /nfs/dbraw/zinc/15/86/69/387158669.db2.gz DETBFSHZMYALBX-CYBMUJFWSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(F)ccc1C ZINC000070938082 387158982 /nfs/dbraw/zinc/15/89/82/387158982.db2.gz MMCJMLQPOOUFAK-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CCC1(C)CCN(Cc2nccn2C)CC1 ZINC000336333467 387159392 /nfs/dbraw/zinc/15/93/92/387159392.db2.gz BHIJKNKOQKKQOT-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CC[C@@H]1CCCC[C@H]1N(C)Cc1ncnn1C ZINC000120750748 387193320 /nfs/dbraw/zinc/19/33/20/387193320.db2.gz XCFCNFINIRSBDM-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN COC(=O)[C@H](C)N(CC[C@H](C)F)C1CCC1 ZINC000352412177 387169261 /nfs/dbraw/zinc/16/92/61/387169261.db2.gz CQPZYCYDTRMKCV-UWVGGRQHSA-N 0 1 231.311 2.151 20 0 BEADMN Cc1cnc([C@@H](C)NC[C@@H](O)C(C)C)s1 ZINC000292806770 387170488 /nfs/dbraw/zinc/17/04/88/387170488.db2.gz BWYHZWMBMFGBIF-NXEZZACHSA-N 0 1 228.361 2.119 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1ncccn1 ZINC000571778184 387170548 /nfs/dbraw/zinc/17/05/48/387170548.db2.gz HCPLSNLOAGMDJL-JTQLQIEISA-N 0 1 207.321 2.391 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H](C2CC2)C1 ZINC000336342402 387172759 /nfs/dbraw/zinc/17/27/59/387172759.db2.gz TWMRSTGKYYRORR-LLVKDONJSA-N 0 1 245.326 2.159 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@@H]2C)nc1 ZINC000336345163 387173979 /nfs/dbraw/zinc/17/39/79/387173979.db2.gz VNOWBUMGNCKFHY-QWRGUYRKSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3CCC[C@@H]32)nc1 ZINC000336346029 387174715 /nfs/dbraw/zinc/17/47/15/387174715.db2.gz CMVRRKVRICXZAU-RYUDHWBXSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CCC[C@H]32)nc1 ZINC000336346030 387175023 /nfs/dbraw/zinc/17/50/23/387175023.db2.gz CMVRRKVRICXZAU-VXGBXAGGSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3CCC[C@H]32)n1 ZINC000336346094 387175957 /nfs/dbraw/zinc/17/59/57/387175957.db2.gz XJYHVAHQWCIXQH-NWDGAFQWSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1ccnc(CN2CC[C@H]3CCC[C@@H]32)n1 ZINC000336346093 387176093 /nfs/dbraw/zinc/17/60/93/387176093.db2.gz XJYHVAHQWCIXQH-NEPJUHHUSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1noc(CN2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000336348965 387178117 /nfs/dbraw/zinc/17/81/17/387178117.db2.gz QDFLJRYUYCFZDZ-GHMZBOCLSA-N 0 1 221.304 2.000 20 0 BEADMN CCC[C@H](NCC(F)(F)CN)C(C)(C)C ZINC000423336390 387183686 /nfs/dbraw/zinc/18/36/86/387183686.db2.gz GVHLLBIPEWECBA-VIFPVBQESA-N 0 1 222.323 2.385 20 0 BEADMN Cc1cc(CC(=O)N[C@@H](C)C2CCCCC2)[nH]n1 ZINC000120397585 387185307 /nfs/dbraw/zinc/18/53/07/387185307.db2.gz FPINRWXCMOAMMO-NSHDSACASA-N 0 1 249.358 2.346 20 0 BEADMN CC(C)c1cnc(CNCCCCO)s1 ZINC000193250014 387187023 /nfs/dbraw/zinc/18/70/23/387187023.db2.gz HFNFWORNGIVGDJ-UHFFFAOYSA-N 0 1 228.361 2.129 20 0 BEADMN CCc1nnc(SC[C@H]2CCC(C)(C)O2)[nH]1 ZINC000187298371 387187855 /nfs/dbraw/zinc/18/78/55/387187855.db2.gz ALDOBLXLZBYCAR-MRVPVSSYSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCC(C)(C)O2)n1 ZINC000187298371 387187862 /nfs/dbraw/zinc/18/78/62/387187862.db2.gz ALDOBLXLZBYCAR-MRVPVSSYSA-N 0 1 241.360 2.417 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2cnoc2C)CC1 ZINC000336310821 387139754 /nfs/dbraw/zinc/13/97/54/387139754.db2.gz MNKHMUVMIQENDO-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1ccc(CCCN2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000353447551 387204115 /nfs/dbraw/zinc/20/41/15/387204115.db2.gz IMLNOZCLQPPHMR-UONOGXRCSA-N 0 1 248.370 2.432 20 0 BEADMN CC(C)c1ncc(CN2CCC[C@@H]2CO)s1 ZINC000092470712 387213632 /nfs/dbraw/zinc/21/36/32/387213632.db2.gz KFINXJDOMPDADV-SNVBAGLBSA-N 0 1 240.372 2.223 20 0 BEADMN Cn1cncc1CNCc1ccc2occc2c1 ZINC000352454123 387216454 /nfs/dbraw/zinc/21/64/54/387216454.db2.gz RNYPTYWWVUCJFE-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CSCCN(C)Cc1ncccc1C ZINC000093190639 387217728 /nfs/dbraw/zinc/21/77/28/387217728.db2.gz KZOFMJLBYBKCEL-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCOC[C@@H]1C ZINC000648638977 387229809 /nfs/dbraw/zinc/22/98/09/387229809.db2.gz ZSTYVVAIBJNQCO-QWRGUYRKSA-N 0 1 225.357 2.400 20 0 BEADMN Cc1occc1C[NH2+]CCN(C)C(C)C ZINC000321486607 387237750 /nfs/dbraw/zinc/23/77/50/387237750.db2.gz FPAJPJRCKOIDTL-UHFFFAOYSA-N 0 1 210.321 2.018 20 0 BEADMN CCC[C@]1(COC)CCCN1Cc1ccon1 ZINC000194936415 387245420 /nfs/dbraw/zinc/24/54/20/387245420.db2.gz OWJRDTNCPWKWOI-CYBMUJFWSA-N 0 1 238.331 2.456 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1[C@@H]1C[C@@H]1c1ccccc1 ZINC000572136629 387247855 /nfs/dbraw/zinc/24/78/55/387247855.db2.gz JAINVQPKXJGHPQ-FMKGYKFTSA-N 0 1 245.322 2.338 20 0 BEADMN CC(C)c1cc(NCC2CCC2)nc(N(C)C)n1 ZINC000360226656 387248439 /nfs/dbraw/zinc/24/84/39/387248439.db2.gz YAUZPNCDHFENPB-UHFFFAOYSA-N 0 1 248.374 2.300 20 0 BEADMN CCc1ccccc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000162039917 387250004 /nfs/dbraw/zinc/25/00/04/387250004.db2.gz NTQFFNVCUGWXRQ-RYUDHWBXSA-N 0 1 246.354 2.071 20 0 BEADMN Cc1ccc(CCCN(C)Cc2cc[nH]n2)cn1 ZINC000353656015 387251325 /nfs/dbraw/zinc/25/13/25/387251325.db2.gz ZEPLWAOYPNYGHN-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)CN(CC)C1CC1 ZINC000187466655 387196417 /nfs/dbraw/zinc/19/64/17/387196417.db2.gz YYJPPAXWZDLPPY-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN NCC(F)(F)CN[C@H]1CCC[C@H]1CCCF ZINC000423346690 387198125 /nfs/dbraw/zinc/19/81/25/387198125.db2.gz PKEAFMHTWURUOP-UWVGGRQHSA-N 0 1 238.297 2.088 20 0 BEADMN CC1(C)CCC[C@@H](NCC(F)(F)CN)C1 ZINC000423347579 387198199 /nfs/dbraw/zinc/19/81/99/387198199.db2.gz QQISCQIRCZNRJG-SECBINFHSA-N 0 1 220.307 2.139 20 0 BEADMN CCCC[C@@H](C)[C@@H](C)NCC(F)(F)CN ZINC000423349640 387199833 /nfs/dbraw/zinc/19/98/33/387199833.db2.gz XGTGIQKQGSGSDK-NXEZZACHSA-N 0 1 222.323 2.385 20 0 BEADMN CC[C@H]1COCCN1CCCc1ccc(C)nc1 ZINC000353438566 387201721 /nfs/dbraw/zinc/20/17/21/387201721.db2.gz MAMOGKNYROURMB-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000514949053 387313200 /nfs/dbraw/zinc/31/32/00/387313200.db2.gz FUZILWVMIASIRQ-NQBHXWOUSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cnn(CCN2CCc3ccsc3C2)c1 ZINC000336427875 387257115 /nfs/dbraw/zinc/25/71/15/387257115.db2.gz KRONZTZJMSWYIX-UHFFFAOYSA-N 0 1 247.367 2.311 20 0 BEADMN Clc1ccc(CCNCc2cocn2)cn1 ZINC000192325543 387317259 /nfs/dbraw/zinc/31/72/59/387317259.db2.gz HBNPHPAVDGTGRB-UHFFFAOYSA-N 0 1 237.690 2.055 20 0 BEADMN CSc1ccc(C[N@H+]2CC[C@@](C)(O)C2)s1 ZINC000336491971 387317722 /nfs/dbraw/zinc/31/77/22/387317722.db2.gz FOQVXZGTRYZCEN-LLVKDONJSA-N 0 1 243.397 2.427 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)CC2(C)C)cn1 ZINC000336449870 387278631 /nfs/dbraw/zinc/27/86/31/387278631.db2.gz OFQMFJOWVDMACW-SNVBAGLBSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccc(CN2CCSC[C@H]2C)cn1 ZINC000336450746 387280033 /nfs/dbraw/zinc/28/00/33/387280033.db2.gz LUZXKOBXNPUSTE-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN c1ccc([C@@H]2C[C@H]2CNCc2ncccn2)cc1 ZINC000514734657 387281721 /nfs/dbraw/zinc/28/17/21/387281721.db2.gz JRXPBDCLWJKNAA-KBPBESRZSA-N 0 1 239.322 2.370 20 0 BEADMN CC/C=C\CC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000514791253 387292427 /nfs/dbraw/zinc/29/24/27/387292427.db2.gz KMJUQGJQFPOPCX-BYCRGOAPSA-N 0 1 211.305 2.282 20 0 BEADMN CC[C@](C)(CN[C@@H]1C[C@@H](C)n2ccnc21)OC ZINC000322595523 259710298 /nfs/dbraw/zinc/71/02/98/259710298.db2.gz HEHPSOOQEICTTG-NQBHXWOUSA-N 0 1 237.347 2.294 20 0 BEADMN Cc1noc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000336467642 387297182 /nfs/dbraw/zinc/29/71/82/387297182.db2.gz YVVNFAJWXNDKHO-SNVBAGLBSA-N 0 1 223.320 2.389 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@H]2C[C@H]2C)s1 ZINC000321743619 387297618 /nfs/dbraw/zinc/29/76/18/387297618.db2.gz ZPMDGMZEUGQGKJ-HLTSFMKQSA-N 0 1 225.361 2.235 20 0 BEADMN C[C@H](NCC1(C(F)(F)F)CC1)c1nccn1C ZINC000353946397 387300978 /nfs/dbraw/zinc/30/09/78/387300978.db2.gz GFXDRDCRLKJKIR-QMMMGPOBSA-N 0 1 247.264 2.413 20 0 BEADMN CCOC[C@@H](NCc1cc(C)no1)C(C)C ZINC000285973992 387303204 /nfs/dbraw/zinc/30/32/04/387303204.db2.gz DWVXLJQRIQFSDN-GFCCVEGCSA-N 0 1 226.320 2.134 20 0 BEADMN CCCCCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360541194 387306336 /nfs/dbraw/zinc/30/63/36/387306336.db2.gz STSMJHNWGPDNBM-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc(CN2CCOCC3(CCC3)C2)nc1 ZINC000336532559 387355322 /nfs/dbraw/zinc/35/53/22/387355322.db2.gz IJMKBIDTVXPGQX-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN Cc1cccc(CN(C)C[C@@H](O)C2CC2)c1F ZINC000648586484 387357289 /nfs/dbraw/zinc/35/72/89/387357289.db2.gz TXRMRULJJYHPAU-CYBMUJFWSA-N 0 1 237.318 2.337 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000515305609 387361050 /nfs/dbraw/zinc/36/10/50/387361050.db2.gz BYMCEZRBEZHKPK-DMDPSCGWSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000515305611 387361199 /nfs/dbraw/zinc/36/11/99/387361199.db2.gz BYMCEZRBEZHKPK-NQBHXWOUSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc([C@H](NCCO)c2ccccn2)cc1 ZINC000373413465 387363226 /nfs/dbraw/zinc/36/32/26/387363226.db2.gz RFOGFMIKLKNARE-HNNXBMFYSA-N 0 1 242.322 2.061 20 0 BEADMN CC(C)c1nc(CN2CCCC[C@@H]2C)n[nH]1 ZINC000336547360 387368142 /nfs/dbraw/zinc/36/81/42/387368142.db2.gz MOKLKYLYLJNSGB-JTQLQIEISA-N 0 1 222.336 2.303 20 0 BEADMN CC(C)c1nc(CN2CCCC[C@H]2C)n[nH]1 ZINC000336547361 387368862 /nfs/dbraw/zinc/36/88/62/387368862.db2.gz MOKLKYLYLJNSGB-SNVBAGLBSA-N 0 1 222.336 2.303 20 0 BEADMN Cc1nnc(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1C1CC1 ZINC000336547939 387369499 /nfs/dbraw/zinc/36/94/99/387369499.db2.gz BRTJUXAUWVCZGZ-WCQYABFASA-N 0 1 246.358 2.296 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCC[C@H]32)n1C1CC1 ZINC000336547939 387369504 /nfs/dbraw/zinc/36/95/04/387369504.db2.gz BRTJUXAUWVCZGZ-WCQYABFASA-N 0 1 246.358 2.296 20 0 BEADMN Cc1ccnc(C[N@H+]2C[C@H](C)CC[C@H]2C)n1 ZINC000336555210 387377154 /nfs/dbraw/zinc/37/71/54/387377154.db2.gz BXVRHTDOVVKYLW-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000336555210 387377159 /nfs/dbraw/zinc/37/71/59/387377159.db2.gz BXVRHTDOVVKYLW-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN CO[C@](C)(CN[C@H](C)c1cc(C)on1)C1CC1 ZINC000360994069 387382525 /nfs/dbraw/zinc/38/25/25/387382525.db2.gz DFMKHIBBYDUUHY-ZWNOBZJWSA-N 0 1 238.331 2.449 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC12CCC(CC1)C2 ZINC000373577060 387382432 /nfs/dbraw/zinc/38/24/32/387382432.db2.gz MGLVMCLUEWRLRN-UHFFFAOYSA-N 0 1 247.342 2.039 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@@H](C2CC2)C1 ZINC000372861295 387330681 /nfs/dbraw/zinc/33/06/81/387330681.db2.gz WEECIOFPZBMJAW-CYBMUJFWSA-N 0 1 248.374 2.228 20 0 BEADMN Cc1cc(CNCc2csc(C)c2)[nH]n1 ZINC000648458265 387335734 /nfs/dbraw/zinc/33/57/34/387335734.db2.gz SXXZTSSWXJJRMY-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CCc1ccc(O)c(C(=O)N=c2cc[nH]cc2)c1 ZINC000354140301 387336247 /nfs/dbraw/zinc/33/62/47/387336247.db2.gz ZQEUBBVUGNENFQ-UHFFFAOYSA-N 0 1 242.278 2.024 20 0 BEADMN COCc1cc(CN(CC2CC2)C(C)C)no1 ZINC000515135539 387338458 /nfs/dbraw/zinc/33/84/58/387338458.db2.gz MCVFKYAQZCYFMV-UHFFFAOYSA-N 0 1 238.331 2.441 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000336515368 387339274 /nfs/dbraw/zinc/33/92/74/387339274.db2.gz MOQKYTIDFLRFKF-MWLCHTKSSA-N 0 1 222.336 2.124 20 0 BEADMN CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000515176784 387343611 /nfs/dbraw/zinc/34/36/11/387343611.db2.gz ALXXRNDAXSQIHC-FOGDFJRCSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000373290317 387351919 /nfs/dbraw/zinc/35/19/19/387351919.db2.gz VQVDYVICHRTORW-ZYHUDNBSSA-N 0 1 224.304 2.155 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2c(O)cccc2F)C1 ZINC000336529824 387352696 /nfs/dbraw/zinc/35/26/96/387352696.db2.gz YHFSETYEZGRFIL-LBPRGKRZSA-N 0 1 241.237 2.105 20 0 BEADMN Cc1cnc([C@H](C)N2CCCCC2)cn1 ZINC000336599055 387424589 /nfs/dbraw/zinc/42/45/89/387424589.db2.gz CGOTUDRMVKOXPJ-NSHDSACASA-N 0 1 205.305 2.332 20 0 BEADMN CC(C)(C)CCCN1CCOC[C@@]12CCOC2 ZINC000374137089 387424612 /nfs/dbraw/zinc/42/46/12/387424612.db2.gz RHRJJBOFTOCKGU-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN O=C([O-])C[N@@H+](CCCc1ccccc1)C1CC1 ZINC000037598064 387426862 /nfs/dbraw/zinc/42/68/62/387426862.db2.gz XJRQFBWIPYGQOT-UHFFFAOYSA-N 0 1 233.311 2.168 20 0 BEADMN CO[C@H](C[N@@H+](C)[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000352668309 387428971 /nfs/dbraw/zinc/42/89/71/387428971.db2.gz RADLMGUKMUMJAX-RRFJBIMHSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)COCC[N@H+]1CCOCC2(CCC2)C1 ZINC000374299333 387440147 /nfs/dbraw/zinc/44/01/47/387440147.db2.gz AKZGQROJOWGHFT-UHFFFAOYSA-N 0 1 241.375 2.162 20 0 BEADMN C(=C/c1ccncc1)\CN1CCO[C@H]2CCC[C@@H]21 ZINC000336605945 387449368 /nfs/dbraw/zinc/44/93/68/387449368.db2.gz BQLPVZNGXKEIJL-TZARZLCXSA-N 0 1 244.338 2.348 20 0 BEADMN Cc1oncc1CN1CCCO[C@H](C(C)C)C1 ZINC000336612830 387455726 /nfs/dbraw/zinc/45/57/26/387455726.db2.gz OGNFIYWGJVNNPN-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CC1CCC1 ZINC000082776971 387388916 /nfs/dbraw/zinc/38/89/16/387388916.db2.gz KAVRFNYEBRNJDF-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000336562405 387390276 /nfs/dbraw/zinc/39/02/76/387390276.db2.gz ZHMPFRQHLWOLMK-CHWSQXEVSA-N 0 1 249.358 2.108 20 0 BEADMN COCC[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000354533307 387391636 /nfs/dbraw/zinc/39/16/36/387391636.db2.gz DBHYPLXOBJXXLT-JTQLQIEISA-N 0 1 220.316 2.407 20 0 BEADMN COc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1O ZINC000336570220 387393171 /nfs/dbraw/zinc/39/31/71/387393171.db2.gz HAKXJVPOCWNCHT-UWVGGRQHSA-N 0 1 221.300 2.384 20 0 BEADMN COc1ccc(CN2[C@H](C)C[C@H]2C)cn1 ZINC000336567612 387393599 /nfs/dbraw/zinc/39/35/99/387393599.db2.gz SILPURFFAOMWIK-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN CCOC[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354546247 387394522 /nfs/dbraw/zinc/39/45/22/387394522.db2.gz TYZFONZMFSMZAG-SNVBAGLBSA-N 0 1 220.316 2.407 20 0 BEADMN Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)on1 ZINC000352631464 387401372 /nfs/dbraw/zinc/40/13/72/387401372.db2.gz WTXDEKZZUFZVNN-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCc1nc(S[C@@H](C(C)=O)C(C)C)n[nH]1 ZINC000515647763 387402115 /nfs/dbraw/zinc/40/21/15/387402115.db2.gz VBBNCPKNFBZZOY-SECBINFHSA-N 0 1 227.333 2.073 20 0 BEADMN CCc1n[nH]c(S[C@@H](C(C)=O)C(C)C)n1 ZINC000515647763 387402118 /nfs/dbraw/zinc/40/21/18/387402118.db2.gz VBBNCPKNFBZZOY-SECBINFHSA-N 0 1 227.333 2.073 20 0 BEADMN C[C@H]1[C@H](C)N(Cc2ccc(Cl)o2)CCN1C ZINC000361165055 387408326 /nfs/dbraw/zinc/40/83/26/387408326.db2.gz INUQZGCWFUVGAA-UWVGGRQHSA-N 0 1 242.750 2.457 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H]1CCCC[C@@H]1C ZINC000361193683 387414034 /nfs/dbraw/zinc/41/40/34/387414034.db2.gz ILUFZNGXSRZENI-SDDRHHMPSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000336588930 387414850 /nfs/dbraw/zinc/41/48/50/387414850.db2.gz STHLYCSUFDMCMN-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](O)CCCN(C)Cc1nc2ccccc2o1 ZINC000354667403 387415324 /nfs/dbraw/zinc/41/53/24/387415324.db2.gz RCISOKKZGMRMQP-LLVKDONJSA-N 0 1 248.326 2.421 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)n[nH]1 ZINC000354702971 387419155 /nfs/dbraw/zinc/41/91/55/387419155.db2.gz GRECBRGUZNOJFM-MXWKQRLJSA-N 0 1 249.358 2.479 20 0 BEADMN CC[C@H]1CN(CCc2cccc(C)n2)C[C@@H](C)O1 ZINC000516282212 387494658 /nfs/dbraw/zinc/49/46/58/387494658.db2.gz HKAXKTLKEMBMTD-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN CCOCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361570963 387495190 /nfs/dbraw/zinc/49/51/90/387495190.db2.gz ZAMVZVNXJXECMO-UHFFFAOYSA-N 0 1 247.338 2.276 20 0 BEADMN Cc1n[nH]cc1CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000648077400 387503065 /nfs/dbraw/zinc/50/30/65/387503065.db2.gz OHGVCFWOYRKZEY-LLVKDONJSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1cn[nH]c1CN1C[C@H](C)OC2(CCCC2)C1 ZINC000648076949 387503269 /nfs/dbraw/zinc/50/32/69/387503269.db2.gz RXARZINHMIEKPN-LBPRGKRZSA-N 0 1 249.358 2.252 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ncccn2)C1 ZINC000361840166 387543270 /nfs/dbraw/zinc/54/32/70/387543270.db2.gz PYBXFXYNPYHZDJ-UTUOFQBUSA-N 0 1 219.332 2.343 20 0 BEADMN CCN(C)C(=O)CCN1Cc2ccc(C)cc2C1 ZINC000361593235 387508609 /nfs/dbraw/zinc/50/86/09/387508609.db2.gz GYQYUNHBGVBPHU-UHFFFAOYSA-N 0 1 246.354 2.179 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccoc2)n1 ZINC000361605875 387511546 /nfs/dbraw/zinc/51/15/46/387511546.db2.gz BWECMLWXRNCYEL-VIFPVBQESA-N 0 1 221.260 2.376 20 0 BEADMN CCCCNC(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000361611884 387511707 /nfs/dbraw/zinc/51/17/07/387511707.db2.gz SGMXTKBAQBGDOI-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN COC(=O)[C@H](C)N(C)CCCCC(F)(F)F ZINC000361628259 387513523 /nfs/dbraw/zinc/51/35/23/387513523.db2.gz HKSROCGSSBELBQ-QMMMGPOBSA-N 0 1 241.253 2.212 20 0 BEADMN CC(C)CON=c1ncc(Cl)c[nH]1 ZINC000276178910 387520608 /nfs/dbraw/zinc/52/06/08/387520608.db2.gz DZRKCLGBSNAKSK-UHFFFAOYSA-N 0 1 201.657 2.130 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN(C)C2CC(O)C2)o1 ZINC000355371754 387527565 /nfs/dbraw/zinc/52/75/65/387527565.db2.gz OOYXAPSBRTYBNE-ZUYNKMSQSA-N 0 1 235.327 2.358 20 0 BEADMN CCCC[C@H](CC)CN1CCN(C)C(=O)[C@H]1C ZINC000426161281 387544213 /nfs/dbraw/zinc/54/42/13/387544213.db2.gz NJJUSENTAIPUML-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1ncccn1 ZINC000361748486 387528459 /nfs/dbraw/zinc/52/84/59/387528459.db2.gz HLKAXLJFIJJYRN-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CCN(CCC1CC1)Cc1ncccn1 ZINC000361748486 387528462 /nfs/dbraw/zinc/52/84/62/387528462.db2.gz HLKAXLJFIJJYRN-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN C[N@H+](Cc1ncccn1)C[C@@H]1CC=CCC1 ZINC000361748033 387528768 /nfs/dbraw/zinc/52/87/68/387528768.db2.gz QDLXLNROXNWBDQ-GFCCVEGCSA-N 0 1 217.316 2.265 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1CC=CCC1 ZINC000361748033 387528774 /nfs/dbraw/zinc/52/87/74/387528774.db2.gz QDLXLNROXNWBDQ-GFCCVEGCSA-N 0 1 217.316 2.265 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nccn1CC(C)C ZINC000361765957 387531265 /nfs/dbraw/zinc/53/12/65/387531265.db2.gz MDWFOJBVVBWFHD-RYUDHWBXSA-N 0 1 239.363 2.052 20 0 BEADMN CCCC[C@@H](CC)CN1CCN(C)C(=O)[C@@H]1C ZINC000426161282 387544304 /nfs/dbraw/zinc/54/43/04/387544304.db2.gz NJJUSENTAIPUML-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN COCc1ccc(CNC2CC(F)(F)C2)o1 ZINC000277590366 387538845 /nfs/dbraw/zinc/53/88/45/387538845.db2.gz HQFUETNCDNDPLN-UHFFFAOYSA-N 0 1 231.242 2.313 20 0 BEADMN Cc1noc([C@@H]2CCCN(CC3(F)CC3)C2)n1 ZINC000527218957 387539654 /nfs/dbraw/zinc/53/96/54/387539654.db2.gz BFVJYNKZVVYCSL-SNVBAGLBSA-N 0 1 239.294 2.060 20 0 BEADMN CC(=O)Nc1cccc(CNCC2(F)CC2)c1 ZINC000527229747 387540819 /nfs/dbraw/zinc/54/08/19/387540819.db2.gz OWGMQBDLYBNQDL-UHFFFAOYSA-N 0 1 236.290 2.237 20 0 BEADMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCCO ZINC000110033594 387540786 /nfs/dbraw/zinc/54/07/86/387540786.db2.gz NSGITKKQTUAXDR-IPYPFGDCSA-N 0 1 249.354 2.219 20 0 BEADMN CCN(CCC1CC1)Cc1nccc(C)n1 ZINC000355040992 387467207 /nfs/dbraw/zinc/46/72/07/387467207.db2.gz UYAQLDPKUHHUTI-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN C[C@@H](NCCOc1ccccc1)c1ccncn1 ZINC000396112530 387542099 /nfs/dbraw/zinc/54/20/99/387542099.db2.gz WEITUYNJFFSBAF-GFCCVEGCSA-N 0 1 243.310 2.206 20 0 BEADMN CCN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CCC1 ZINC000336624401 387479166 /nfs/dbraw/zinc/47/91/66/387479166.db2.gz KSBUHFAUYMTJLC-NSHDSACASA-N 0 1 247.342 2.231 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC[C@@H]1C ZINC000336630279 387482534 /nfs/dbraw/zinc/48/25/34/387482534.db2.gz JSOWDQXPQXPQNL-WPRPVWTQSA-N 0 1 235.331 2.370 20 0 BEADMN CC(C)c1ccc(C[N@@H+](C)[C@H]2COC[C@H]2O)cc1 ZINC000352791721 387487654 /nfs/dbraw/zinc/48/76/54/387487654.db2.gz JECSCGRXFURNFT-LSDHHAIUSA-N 0 1 249.354 2.002 20 0 BEADMN CCCc1noc(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355165958 387493144 /nfs/dbraw/zinc/49/31/44/387493144.db2.gz MUORYSSRROYASN-QWRGUYRKSA-N 0 1 235.331 2.397 20 0 BEADMN COC1(C)CN(c2ccnc3ccccc32)C1 ZINC000428145149 387583185 /nfs/dbraw/zinc/58/31/85/387583185.db2.gz JODKPTLLBFCBPJ-UHFFFAOYSA-N 0 1 228.295 2.460 20 0 BEADMN CCc1cc(C(=O)N2CCC3(CCC3)CC2)n[nH]1 ZINC000375862588 387589208 /nfs/dbraw/zinc/58/92/08/387589208.db2.gz SMVYDZLHSUPPFM-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN CC(C)CO[C@H]1CCN(CC2(F)CC2)C1 ZINC000527511230 387590550 /nfs/dbraw/zinc/59/05/50/387590550.db2.gz YWXDUSRQRYHGQC-NSHDSACASA-N 0 1 215.312 2.235 20 0 BEADMN Cc1cc(CC(=O)NC2CC(C(C)(C)C)C2)[nH]n1 ZINC000356015947 387606257 /nfs/dbraw/zinc/60/62/57/387606257.db2.gz XEFMUJZPLFYTBZ-UHFFFAOYSA-N 0 1 249.358 2.202 20 0 BEADMN CSc1ccc(CN(CCO)C2CC2)s1 ZINC000356084678 387614307 /nfs/dbraw/zinc/61/43/07/387614307.db2.gz KYNBDAQGPHBLSB-UHFFFAOYSA-N 0 1 243.397 2.427 20 0 BEADMN C[C@@H](C1CCC1)N(C)Cc1ncccn1 ZINC000361865252 387546323 /nfs/dbraw/zinc/54/63/23/387546323.db2.gz MCZRLOXTSJJNDB-JTQLQIEISA-N 0 1 205.305 2.097 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H]1CCCC[C@@H]1C ZINC000527241564 387547900 /nfs/dbraw/zinc/54/79/00/387547900.db2.gz ILUFZNGXSRZENI-QJPTWQEYSA-N 0 1 227.348 2.306 20 0 BEADMN CCCn1cc(CN2[C@@H](C)C[C@@H]2C)cn1 ZINC000527238735 387548839 /nfs/dbraw/zinc/54/88/39/387548839.db2.gz QXBNZTMUMKVETP-QWRGUYRKSA-N 0 1 207.321 2.276 20 0 BEADMN CCc1cccc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC000355581899 387553935 /nfs/dbraw/zinc/55/39/35/387553935.db2.gz JDJWDHHCEKNNCS-NSHDSACASA-N 0 1 239.746 2.469 20 0 BEADMN CC[C@H](O)CNCc1coc(-c2ccccc2)n1 ZINC000422083840 387556326 /nfs/dbraw/zinc/55/63/26/387556326.db2.gz JKYHCQRDOPBNES-ZDUSSCGKSA-N 0 1 246.310 2.202 20 0 BEADMN CCSCCN(CCO)Cc1ccc(C)o1 ZINC000355665734 387564850 /nfs/dbraw/zinc/56/48/50/387564850.db2.gz WYPOMDWEGKISSW-UHFFFAOYSA-N 0 1 243.372 2.135 20 0 BEADMN CCCC(C)(C)CC(=O)Nc1nnc(C)[nH]1 ZINC000426479506 387574180 /nfs/dbraw/zinc/57/41/80/387574180.db2.gz LDWOQGXDHPWMQY-UHFFFAOYSA-N 0 1 224.308 2.268 20 0 BEADMN COCc1ccc(CNC2(COC)CCC2)o1 ZINC000283833423 387577016 /nfs/dbraw/zinc/57/70/16/387577016.db2.gz FGHUXKLPXQNEIN-UHFFFAOYSA-N 0 1 239.315 2.085 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N(C)[C@H]1C=CCCC1 ZINC000362582468 387633806 /nfs/dbraw/zinc/63/38/06/387633806.db2.gz YVKUTEHFXDGHDW-NEPJUHHUSA-N 0 1 238.375 2.330 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000362697545 387649466 /nfs/dbraw/zinc/64/94/66/387649466.db2.gz CEFNSUZGFGERHP-AAEUAGOBSA-N 0 1 238.375 2.308 20 0 BEADMN CC[C@@H]1CN(Cc2cccc3c[nH]nc32)CCO1 ZINC000125546592 387661687 /nfs/dbraw/zinc/66/16/87/387661687.db2.gz KNWLLYROUQCIQY-CYBMUJFWSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cc(F)c(CNC[C@H](O)C(C)C)c(F)c1 ZINC000424137126 387665384 /nfs/dbraw/zinc/66/53/84/387665384.db2.gz BTBDEBUTEJGFAU-ZDUSSCGKSA-N 0 1 243.297 2.380 20 0 BEADMN CCN(CC(=O)N(C)[C@@H](C)C1CCC1)C1CC1 ZINC000356589517 387676511 /nfs/dbraw/zinc/67/65/11/387676511.db2.gz KFRJJVCITFECHW-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN Cn1ncc(CNCC[C@@H]2CCCC2(C)C)n1 ZINC000527725974 387677443 /nfs/dbraw/zinc/67/74/43/387677443.db2.gz BCMCHNSXNVFHHZ-NSHDSACASA-N 0 1 236.363 2.121 20 0 BEADMN CC[C@H](F)CN1CCC[C@H]1c1cnn(C)c1 ZINC000440709335 387677794 /nfs/dbraw/zinc/67/77/94/387677794.db2.gz IFBSEPSAPPQKJU-RYUDHWBXSA-N 0 1 225.311 2.305 20 0 BEADMN CCCCC[C@@H]1CCCN1CC(=O)OC ZINC000362954204 387677839 /nfs/dbraw/zinc/67/78/39/387677839.db2.gz IBKZYPOEHDEQQC-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CC[C@H](F)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000440709334 387678065 /nfs/dbraw/zinc/67/80/65/387678065.db2.gz IFBSEPSAPPQKJU-NWDGAFQWSA-N 0 1 225.311 2.305 20 0 BEADMN CC[C@@H](F)CN1CCCN(C[C@H](F)CC)CC1 ZINC000440718262 387681543 /nfs/dbraw/zinc/68/15/43/387681543.db2.gz UKBAHTBLHSICSR-CHWSQXEVSA-N 0 1 248.361 2.490 20 0 BEADMN CC(C)(C)CCNC(=O)CN1CCC12CCC2 ZINC000356645917 387685631 /nfs/dbraw/zinc/68/56/31/387685631.db2.gz PGXFBZZMJSZAET-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN c1cc(CN2CC[C@@H](Nc3ccccc3)C2)on1 ZINC000363071513 387688210 /nfs/dbraw/zinc/68/82/10/387688210.db2.gz PMVWYUWNIMQFIB-CYBMUJFWSA-N 0 1 243.310 2.361 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1ccon1 ZINC000452034936 387705704 /nfs/dbraw/zinc/70/57/04/387705704.db2.gz MMHITEHEMZXHEW-VXGBXAGGSA-N 0 1 224.304 2.112 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000377395809 387712344 /nfs/dbraw/zinc/71/23/44/387712344.db2.gz ARUYEKIIZRZPPE-LLVKDONJSA-N 0 1 241.237 2.186 20 0 BEADMN CCC[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)C(C)C ZINC000422816943 387714918 /nfs/dbraw/zinc/71/49/18/387714918.db2.gz BSZISYSIXNIUJV-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]1CC(F)(F)CCN1Cc1cn[nH]c1 ZINC000528773724 387717869 /nfs/dbraw/zinc/71/78/69/387717869.db2.gz QTTCANXRDZMWKH-QMMMGPOBSA-N 0 1 215.247 2.029 20 0 BEADMN FC(F)COCCN1CCCc2occc2C1 ZINC000377520331 387721677 /nfs/dbraw/zinc/72/16/77/387721677.db2.gz RTDUJBULVOEBQJ-UHFFFAOYSA-N 0 1 245.269 2.310 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1NCc1cncs1 ZINC000527800730 387721922 /nfs/dbraw/zinc/72/19/22/387721922.db2.gz DUNYHPPXWXBKGN-MNOVXSKESA-N 0 1 226.345 2.189 20 0 BEADMN C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000356797610 387722306 /nfs/dbraw/zinc/72/23/06/387722306.db2.gz GICIFECDFMKQHG-IUCAKERBSA-N 0 1 238.335 2.054 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1nccs1 ZINC000527806145 387727436 /nfs/dbraw/zinc/72/74/36/387727436.db2.gz WPDLRJGKOIPFEC-CKEKPRIKSA-N 0 1 226.345 2.045 20 0 BEADMN Cc1cnc(CNC2(C3CC3)CCOCC2)o1 ZINC000367564667 387727803 /nfs/dbraw/zinc/72/78/03/387727803.db2.gz JCRRJMPKRCTAGA-UHFFFAOYSA-N 0 1 236.315 2.032 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356868944 387736729 /nfs/dbraw/zinc/73/67/29/387736729.db2.gz ZOJJNOLDPWRGTF-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CCCNC(=O)C[N@@H+](CCC)CC1CCC1 ZINC000441216404 387738402 /nfs/dbraw/zinc/73/84/02/387738402.db2.gz IUUNAIWNBCXKPC-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CCOc1cccc(CN(C)CCSC)n1 ZINC000128210035 387739247 /nfs/dbraw/zinc/73/92/47/387739247.db2.gz QDDSFBDQYHDSQF-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN c1nnn2c1CN(CC1CCCCCC1)CC2 ZINC000521456582 387741153 /nfs/dbraw/zinc/74/11/53/387741153.db2.gz BTTVLWAPTIUITP-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CC[C@H]1C[C@@H](CN(C)Cc2ccon2)CCO1 ZINC000356997517 387762606 /nfs/dbraw/zinc/76/26/06/387762606.db2.gz RQIKDZPIQOPPKE-AAEUAGOBSA-N 0 1 238.331 2.312 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378258094 387775173 /nfs/dbraw/zinc/77/51/73/387775173.db2.gz CNMRPVIFWBZZST-PSASIEDQSA-N 0 1 242.282 2.066 20 0 BEADMN COC(=O)c1ccc(CN2CC3CCC2CC3)o1 ZINC000378384408 387781092 /nfs/dbraw/zinc/78/10/92/387781092.db2.gz NVUNJEFTUFXGDR-UHFFFAOYSA-N 0 1 249.310 2.441 20 0 BEADMN CCn1ncc(CN[C@@H]2CC[C@H]2C(C)(C)C)n1 ZINC000527924054 387791822 /nfs/dbraw/zinc/79/18/22/387791822.db2.gz NWHOZGCDFMCPJU-VXGBXAGGSA-N 0 1 236.363 2.212 20 0 BEADMN CCn1ncc(CN[C@@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000527924052 387792007 /nfs/dbraw/zinc/79/20/07/387792007.db2.gz NWHOZGCDFMCPJU-NWDGAFQWSA-N 0 1 236.363 2.212 20 0 BEADMN CCC[C@@H]1CN(CCC[C@H]2CCOC2)CCO1 ZINC000645841606 387792106 /nfs/dbraw/zinc/79/21/06/387792106.db2.gz YEMFSRIWZNTRRH-UONOGXRCSA-N 0 1 241.375 2.304 20 0 BEADMN CCC[C@@H](CN[C@@H]1CCn2ccnc21)OCC ZINC000527930801 387794986 /nfs/dbraw/zinc/79/49/86/387794986.db2.gz LHFKBKCXVBXQCI-NWDGAFQWSA-N 0 1 237.347 2.123 20 0 BEADMN Cn1nccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000134295368 387808194 /nfs/dbraw/zinc/80/81/94/387808194.db2.gz OBBVROZZMWIHSH-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN C[C@@H]1C[C@@H]1CN(C)Cc1cn2c(n1)CCCC2 ZINC000432812587 387824902 /nfs/dbraw/zinc/82/49/02/387824902.db2.gz JCFWWNYXEDHMOW-VXGBXAGGSA-N 0 1 233.359 2.307 20 0 BEADMN CCc1ccc([C@H](C)NCc2cnnn2C)cc1 ZINC000135843868 387825168 /nfs/dbraw/zinc/82/51/68/387825168.db2.gz FJJYTWJORNDCJX-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN C[C@@H]1C[C@H]1CN(C)Cc1cn2c(n1)CCCC2 ZINC000432812584 387826116 /nfs/dbraw/zinc/82/61/16/387826116.db2.gz JCFWWNYXEDHMOW-NEPJUHHUSA-N 0 1 233.359 2.307 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H](N)C(C)(C)C)n1 ZINC000442741619 387832912 /nfs/dbraw/zinc/83/29/12/387832912.db2.gz BMDXZYHOVZJWAW-DTWKUNHWSA-N 0 1 240.351 2.161 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC000452555913 387856566 /nfs/dbraw/zinc/85/65/66/387856566.db2.gz ZZZXFWIFBWVUGV-CHWSQXEVSA-N 0 1 238.375 2.332 20 0 BEADMN CC[C@H]1CCCC[C@H]1NCc1nc(C)no1 ZINC000070558415 387857063 /nfs/dbraw/zinc/85/70/63/387857063.db2.gz SADBQCYBAOSJCA-WDEREUQCSA-N 0 1 223.320 2.436 20 0 BEADMN CCO[C@@]1(C)C[C@H]1Nc1ccnc(C)c1Cl ZINC000528158155 387857085 /nfs/dbraw/zinc/85/70/85/387857085.db2.gz YRIHIGWWEMODDF-PWSUYJOCSA-N 0 1 240.734 2.445 20 0 BEADMN CC(C)CCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000192874684 387862594 /nfs/dbraw/zinc/86/25/94/387862594.db2.gz OJWLEOMYHDHLBX-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN CC(C)(C)c1nc(CN2CC[C@@H](C3CC3)C2)n[nH]1 ZINC000432775615 387813670 /nfs/dbraw/zinc/81/36/70/387813670.db2.gz VOFXNACJNPKAMQ-LLVKDONJSA-N 0 1 248.374 2.334 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000527972596 387814406 /nfs/dbraw/zinc/81/44/06/387814406.db2.gz BGEWSNLJMZAMPJ-DYEKYZERSA-N 0 1 249.358 2.028 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](CC)c1ccn(C)n1 ZINC000527976744 387816010 /nfs/dbraw/zinc/81/60/10/387816010.db2.gz FYTIIHYVXALDKL-RTXFEEFZSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@@H](COC)N[C@@H](C)c1ncccc1F ZINC000528035803 387816915 /nfs/dbraw/zinc/81/69/15/387816915.db2.gz KOUMCZCVUYIJDA-UWVGGRQHSA-N 0 1 226.295 2.296 20 0 BEADMN CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CC1(C)CCC1 ZINC000432789601 387819492 /nfs/dbraw/zinc/81/94/92/387819492.db2.gz TZDWOYOTVAHLAW-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)c1occc1CNC1(C(C)C)CC1 ZINC000293145555 387890936 /nfs/dbraw/zinc/89/09/36/387890936.db2.gz UNYCMJKPDYDFPP-UHFFFAOYSA-N 0 1 237.299 2.344 20 0 BEADMN CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(F)F ZINC000452668008 387885534 /nfs/dbraw/zinc/88/55/34/387885534.db2.gz HYKMGXWAAMNCLN-AEJSXWLSSA-N 0 1 248.317 2.019 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000424185195 387899718 /nfs/dbraw/zinc/89/97/18/387899718.db2.gz FNPBSDHALQSDDV-IJLUTSLNSA-N 0 1 249.358 2.400 20 0 BEADMN Cc1cn[nH]c1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000424189452 387912194 /nfs/dbraw/zinc/91/21/94/387912194.db2.gz DQFXZSQAQMZLIN-KBPBESRZSA-N 0 1 245.301 2.445 20 0 BEADMN CC(C)n1cc(CN[C@@H]2C[C@H]2C2CCC2)nn1 ZINC000424189808 387913242 /nfs/dbraw/zinc/91/32/42/387913242.db2.gz DYVHLEISOQXSLS-QWHCGFSZSA-N 0 1 234.347 2.137 20 0 BEADMN NCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000237987574 387930928 /nfs/dbraw/zinc/93/09/28/387930928.db2.gz HGJQWEZLEBFZPN-UHFFFAOYSA-N 0 1 240.262 2.483 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cncc(F)c1 ZINC000222126652 387931869 /nfs/dbraw/zinc/93/18/69/387931869.db2.gz DQFPGPCBVPENBL-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN CC[C@@H]1CN(C2CC(OC(C)C)C2)C[C@@H](C)O1 ZINC000459349012 387932277 /nfs/dbraw/zinc/93/22/77/387932277.db2.gz RKGXTYPOWDCJEX-NELGMTEASA-N 0 1 241.375 2.442 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCc1cncn1C ZINC000459394966 387936165 /nfs/dbraw/zinc/93/61/65/387936165.db2.gz SUGOUQIVCJGOGC-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2cccc(O)c2)no1 ZINC000459403570 387936717 /nfs/dbraw/zinc/93/67/17/387936717.db2.gz HHLXTWKJHPMQPQ-SNVBAGLBSA-N 0 1 246.310 2.409 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](C(C)C)C1 ZINC000444754207 387923145 /nfs/dbraw/zinc/92/31/45/387923145.db2.gz SKZMNAVFRJAQEN-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CCC[C@@]1(CO)CCCN1Cc1ncc(C)o1 ZINC000444770273 387923717 /nfs/dbraw/zinc/92/37/17/387923717.db2.gz DLEYZHZMBRXGNQ-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2cccc(O)c2)no1 ZINC000459403569 387937668 /nfs/dbraw/zinc/93/76/68/387937668.db2.gz HHLXTWKJHPMQPQ-JTQLQIEISA-N 0 1 246.310 2.409 20 0 BEADMN CCC(CC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000242807458 387939975 /nfs/dbraw/zinc/93/99/75/387939975.db2.gz FHMDZYCUBNXRAT-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCC1 ZINC000044858212 387944535 /nfs/dbraw/zinc/94/45/35/387944535.db2.gz MLRMSHHPQJWZJB-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](CO)C1 ZINC000245441156 387945132 /nfs/dbraw/zinc/94/51/32/387945132.db2.gz VESDZFYGAHZNEH-NXEZZACHSA-N 0 1 241.281 2.340 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])nc1 ZINC000424269184 387948540 /nfs/dbraw/zinc/94/85/40/387948540.db2.gz MDTBAJRRHVUNPS-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN CC1(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)CCC1 ZINC000393749187 387949044 /nfs/dbraw/zinc/94/90/44/387949044.db2.gz APTPMETXCRAEAU-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@H]1C[C@H]1C ZINC000424310837 387961887 /nfs/dbraw/zinc/96/18/87/387961887.db2.gz TWOPDAVCNBWTDD-VWYCJHECSA-N 0 1 235.331 2.009 20 0 BEADMN COc1ccnc(CN[C@H](C)CCC(C)C)n1 ZINC000424305533 387962157 /nfs/dbraw/zinc/96/21/57/387962157.db2.gz DWHVYZDIOFQSFZ-LLVKDONJSA-N 0 1 237.347 2.400 20 0 BEADMN CCC[C@H](O)CN[C@@H](C)c1csc(C)n1 ZINC000158858010 387966338 /nfs/dbraw/zinc/96/63/38/387966338.db2.gz IPIADIYOWVTLHG-WPRPVWTQSA-N 0 1 228.361 2.263 20 0 BEADMN COC(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000445858907 387975333 /nfs/dbraw/zinc/97/53/33/387975333.db2.gz GHIJVQCJLZBJHN-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CC/C=C\CCN1CCNC(=O)[C@]1(C)CCC ZINC000445894928 387976596 /nfs/dbraw/zinc/97/65/96/387976596.db2.gz RORRPCWFKBPDNK-AFNCTOJWSA-N 0 1 238.375 2.333 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@H](OC)C(C)C ZINC000453125660 387991780 /nfs/dbraw/zinc/99/17/80/387991780.db2.gz TUBOQFSPMSQFMP-NWDGAFQWSA-N 0 1 239.363 2.225 20 0 BEADMN CSCCCN1CCc2ncsc2C1 ZINC000446069105 387993210 /nfs/dbraw/zinc/99/32/10/387993210.db2.gz UGKYYZGIIFQNGF-UHFFFAOYSA-N 0 1 228.386 2.254 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)cc2)[C@H](C)[C@H](C)O1 ZINC000446080660 387997853 /nfs/dbraw/zinc/99/78/53/387997853.db2.gz SSMVMHZEUXULJN-UPJWGTAASA-N 0 1 249.354 2.177 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000453166023 388001735 /nfs/dbraw/zinc/00/17/35/388001735.db2.gz CNPYBUCVZQRMLX-XQHKEYJVSA-N 0 1 249.358 2.436 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453142642 387996305 /nfs/dbraw/zinc/99/63/05/387996305.db2.gz LOZKEDMRGOQLCG-VPOLOUISSA-N 0 1 237.372 2.373 20 0 BEADMN Cc1ccnc(NC(=O)[C@@H](N)c2ccccc2)c1 ZINC000082248002 388017259 /nfs/dbraw/zinc/01/72/59/388017259.db2.gz YMFYTPDACDOEIO-ZDUSSCGKSA-N 0 1 241.294 2.029 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)nc1 ZINC000082248001 388017305 /nfs/dbraw/zinc/01/73/05/388017305.db2.gz PNRRUUOZOPTMDO-ZDUSSCGKSA-N 0 1 241.294 2.029 20 0 BEADMN CCC1(CC)CCN(Cc2nnc(C)n2C)C1 ZINC000446737349 388034894 /nfs/dbraw/zinc/03/48/94/388034894.db2.gz ZZHFFBXJBBLZOE-UHFFFAOYSA-N 0 1 236.363 2.136 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)C ZINC000261527295 135151250 /nfs/dbraw/zinc/15/12/50/135151250.db2.gz NRQSRGOVTDEYPG-NSHDSACASA-N 0 1 215.337 2.465 20 0 BEADMN CC[C@@](C)(CN[C@@H](C)c1cc(C)on1)OC ZINC000453304279 388040090 /nfs/dbraw/zinc/04/00/90/388040090.db2.gz OUNWYGRGGCAAMO-JQWIXIFHSA-N 0 1 226.320 2.449 20 0 BEADMN CC/C=C\CN[C@H](CC)c1ccn(C)n1 ZINC000453317475 388043572 /nfs/dbraw/zinc/04/35/72/388043572.db2.gz KTYULILPCBAPPN-JMEBYUIHSA-N 0 1 207.321 2.427 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2ccc(F)cc2)c1C ZINC000082306760 388027693 /nfs/dbraw/zinc/02/76/93/388027693.db2.gz WAPDJWNWKLUCOO-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CC[C@@H](N[C@H](C)c1cc(C)on1)[C@@H](O)CC ZINC000453341531 388052139 /nfs/dbraw/zinc/05/21/39/388052139.db2.gz CIRQMKMXNUSLAX-FOGDFJRCSA-N 0 1 226.320 2.183 20 0 BEADMN C[C@@H](NCc1cnc(C2CC2)o1)[C@H]1CCCO1 ZINC000453343209 388052234 /nfs/dbraw/zinc/05/22/34/388052234.db2.gz GLAHKRVQPSLISN-BXKDBHETSA-N 0 1 236.315 2.209 20 0 BEADMN CC1(C)OCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453344091 388054070 /nfs/dbraw/zinc/05/40/70/388054070.db2.gz GWDRVRGNISAVQY-LLVKDONJSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1nnc(NC(=O)c2coc3ccccc23)[nH]1 ZINC000083550202 388055338 /nfs/dbraw/zinc/05/53/38/388055338.db2.gz VNVKHRVOUIOSBA-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1n[nH]c(NC(=O)c2coc3ccccc23)n1 ZINC000083550202 388055341 /nfs/dbraw/zinc/05/53/41/388055341.db2.gz VNVKHRVOUIOSBA-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCc1nnc(SC[C@@H]2CCO[C@H](C)C2)[nH]1 ZINC000447112551 388055657 /nfs/dbraw/zinc/05/56/57/388055657.db2.gz VYXBWSFIRINWMS-RKDXNWHRSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCO[C@H](C)C2)n1 ZINC000447112551 388055663 /nfs/dbraw/zinc/05/56/63/388055663.db2.gz VYXBWSFIRINWMS-RKDXNWHRSA-N 0 1 241.360 2.274 20 0 BEADMN CC(C)N(Cc1nccn1C)CC1CC1 ZINC000533358660 388061737 /nfs/dbraw/zinc/06/17/37/388061737.db2.gz JSNYOEJIOKVKQZ-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN CCCc1ncc(CN[C@@H](COC)C2CC2)o1 ZINC000453394168 388068978 /nfs/dbraw/zinc/06/89/78/388068978.db2.gz SDZGYDCPWHKZSR-LBPRGKRZSA-N 0 1 238.331 2.142 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453397986 388070857 /nfs/dbraw/zinc/07/08/57/388070857.db2.gz ISPOSAFGFYSNBP-FVCCEPFGSA-N 0 1 249.358 2.436 20 0 BEADMN COC(=O)CC1(CN(C)Cc2ccoc2)CC1 ZINC000440703829 388071097 /nfs/dbraw/zinc/07/10/97/388071097.db2.gz JEPZHJMLDUFYDU-UHFFFAOYSA-N 0 1 237.299 2.055 20 0 BEADMN CCC[C@H](N[C@@H](CC)C(=O)NC)c1ccccn1 ZINC000453424469 388080572 /nfs/dbraw/zinc/08/05/72/388080572.db2.gz YBAGSZLDLAPQLR-AAEUAGOBSA-N 0 1 249.358 2.037 20 0 BEADMN CC[C@@H](N[C@H](C)c1cc(C)c(C)o1)C(=O)NC ZINC000453422896 388080592 /nfs/dbraw/zinc/08/05/92/388080592.db2.gz XOPWEMNTDBTXOB-MWLCHTKSSA-N 0 1 238.331 2.072 20 0 BEADMN CC(C)n1ccc(CN[C@@H](C)[C@H]2CCCO2)n1 ZINC000085161059 388084600 /nfs/dbraw/zinc/08/46/00/388084600.db2.gz BJKNRLAPBIXCIR-WCQYABFASA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)n1ccc(CN[C@H](C)[C@H]2CCCO2)n1 ZINC000085161061 388084701 /nfs/dbraw/zinc/08/47/01/388084701.db2.gz BJKNRLAPBIXCIR-DGCLKSJQSA-N 0 1 237.347 2.121 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000447642222 388084717 /nfs/dbraw/zinc/08/47/17/388084717.db2.gz COANUMGKSHYDRA-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCNCc1ncc(Br)s1 ZINC000085352054 388086580 /nfs/dbraw/zinc/08/65/80/388086580.db2.gz VZSDVBSRUKTJSK-UHFFFAOYSA-N 0 1 221.123 2.015 20 0 BEADMN CCOc1cccc(CN2CC(CC)C2)n1 ZINC000453607325 388090797 /nfs/dbraw/zinc/09/07/97/388090797.db2.gz SGQHHQWJHZGILA-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CCC1CN(Cc2ccccc2NC(C)=O)C1 ZINC000453603076 388090950 /nfs/dbraw/zinc/09/09/50/388090950.db2.gz KSCHWIHZTIELKH-UHFFFAOYSA-N 0 1 232.327 2.487 20 0 BEADMN Fc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000071396623 388092082 /nfs/dbraw/zinc/09/20/82/388092082.db2.gz MZXBYTSYYQRTLU-SNVBAGLBSA-N 0 1 233.246 2.300 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](C)[C@@H]1CC ZINC000447882646 388100027 /nfs/dbraw/zinc/10/00/27/388100027.db2.gz PXIMSNHDIDBQAV-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN CCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464808957 388104355 /nfs/dbraw/zinc/10/43/55/388104355.db2.gz ALEMHEDEBPXMBF-STQMWFEESA-N 0 1 239.359 2.450 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000645975851 388112670 /nfs/dbraw/zinc/11/26/70/388112670.db2.gz JCYVUFSOGGHODX-NEPJUHHUSA-N 0 1 245.326 2.132 20 0 BEADMN CN(Cc1ncnn1CCF)C1(C)CCCC1 ZINC000440501523 388045285 /nfs/dbraw/zinc/04/52/85/388045285.db2.gz PXJZAZRZIGRWIB-UHFFFAOYSA-N 0 1 240.326 2.012 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccco2)n1 ZINC000083305541 388049970 /nfs/dbraw/zinc/04/99/70/388049970.db2.gz UOZVBLDXJOADBC-MRVPVSSYSA-N 0 1 221.260 2.376 20 0 BEADMN C[C@H](N[C@@H]1CSC[C@H]1C)c1ccon1 ZINC000449237375 388160031 /nfs/dbraw/zinc/16/00/31/388160031.db2.gz NTNJJNWCNFKUDT-KHQFGBGNSA-N 0 1 212.318 2.077 20 0 BEADMN C[C@H](NCC1=CCCC1)c1ccn(C)n1 ZINC000645928118 388161455 /nfs/dbraw/zinc/16/14/55/388161455.db2.gz XOXCQSZQZJUQEF-JTQLQIEISA-N 0 1 205.305 2.181 20 0 BEADMN COc1nccnc1CN1CCCCC(C)(C)C1 ZINC000449266664 388165023 /nfs/dbraw/zinc/16/50/23/388165023.db2.gz WKAMRLZXTMARJD-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CCN(CCOC(C)(C)C)Cc1cnn(C)c1 ZINC000195519062 388165442 /nfs/dbraw/zinc/16/54/42/388165442.db2.gz AINORTNNUKELBG-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN CC[C@H](C)[N@@H+](CC[C@@H]1CCCCO1)CC(=O)[O-] ZINC000455646987 388165743 /nfs/dbraw/zinc/16/57/43/388165743.db2.gz SNWVBRMFRIBMRB-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cnc(CNCC2=CCCCC2)n1C ZINC000449378758 388188097 /nfs/dbraw/zinc/18/80/97/388188097.db2.gz XSUUJCRUAWTCCE-UHFFFAOYSA-N 0 1 219.332 2.319 20 0 BEADMN COC(=O)C(C)(C)CCN1CCC[C@@](C)(F)C1 ZINC000449351053 388179040 /nfs/dbraw/zinc/17/90/40/388179040.db2.gz NWEWBPJYXVXVTO-CYBMUJFWSA-N 0 1 245.338 2.400 20 0 BEADMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)COC)[nH]1 ZINC000488470998 388181050 /nfs/dbraw/zinc/18/10/50/388181050.db2.gz CEDFJDHKKNQUDW-IVZWLZJFSA-N 0 1 240.351 2.004 20 0 BEADMN COC(=O)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000449371069 388183835 /nfs/dbraw/zinc/18/38/35/388183835.db2.gz PZBHTXJEPXMHGY-UHFFFAOYSA-N 0 1 231.295 2.069 20 0 BEADMN CCCC[C@H](COC)N[C@H]1CCn2ccnc21 ZINC000449369799 388184423 /nfs/dbraw/zinc/18/44/23/388184423.db2.gz GEIMFNCWQGXEHA-NEPJUHHUSA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000448897239 388118253 /nfs/dbraw/zinc/11/82/53/388118253.db2.gz RTQQFTFZEIKGCQ-HTQZYQBOSA-N 0 1 246.270 2.049 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@H]1C[C@H]1C)C1CC1 ZINC000488571911 388186070 /nfs/dbraw/zinc/18/60/70/388186070.db2.gz HGTULIGOEDPZFQ-OUAUKWLOSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1cccc(CCN2CCOC[C@H]2C)c1 ZINC000449013872 388130166 /nfs/dbraw/zinc/13/01/66/388130166.db2.gz MWFZMTXJAXRZJZ-CYBMUJFWSA-N 0 1 219.328 2.258 20 0 BEADMN COc1cc(F)cc(CN(C)[C@H]2CCOC2)c1 ZINC000449024203 388131913 /nfs/dbraw/zinc/13/19/13/388131913.db2.gz YYIMYVWOMOXWHO-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nccnc1OC ZINC000449028499 388132622 /nfs/dbraw/zinc/13/26/22/388132622.db2.gz LYPPRUGZFKBQNO-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN Cc1cccc(CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000449032565 388133177 /nfs/dbraw/zinc/13/31/77/388133177.db2.gz AFHJEAVGJVSKDC-GASCZTMLSA-N 0 1 231.339 2.401 20 0 BEADMN COC[C@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449036238 388134390 /nfs/dbraw/zinc/13/43/90/388134390.db2.gz SDGMVZYKHAXTEC-ZDUSSCGKSA-N 0 1 249.354 2.472 20 0 BEADMN CCn1nnc(C)c1CN(C)[C@H](C)C1(C)CC1 ZINC000449045791 388135379 /nfs/dbraw/zinc/13/53/79/388135379.db2.gz JDGPZZQJTYVJDD-LLVKDONJSA-N 0 1 236.363 2.227 20 0 BEADMN Cc1nocc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000646071549 388137057 /nfs/dbraw/zinc/13/70/57/388137057.db2.gz QTSXKCOKWCLGQA-CYBMUJFWSA-N 0 1 246.314 2.017 20 0 BEADMN CCn1nnc(C)c1CNCc1ccc(F)cc1 ZINC000449063496 388137588 /nfs/dbraw/zinc/13/75/88/388137588.db2.gz PQZXUYGIVZSGFW-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CCn1nnc(C)c1CN[C@@H](C)c1ccccc1 ZINC000449063364 388137611 /nfs/dbraw/zinc/13/76/11/388137611.db2.gz MGAVPLVEXYJJLS-NSHDSACASA-N 0 1 244.342 2.457 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000646092328 388140872 /nfs/dbraw/zinc/14/08/72/388140872.db2.gz UCUGUYBRGVDYRO-ZRUFSTJUSA-N 0 1 235.331 2.471 20 0 BEADMN CCN(CC1CC1)C(=O)[C@@H](N)c1ccccc1C ZINC000449126385 388146347 /nfs/dbraw/zinc/14/63/47/388146347.db2.gz UYMOHGWPXMTKPR-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN COCc1nc(CNC2CC(C)C2)cs1 ZINC000165127340 388250817 /nfs/dbraw/zinc/25/08/17/388250817.db2.gz GMSHQPUPEPSXBC-UHFFFAOYSA-N 0 1 226.345 2.178 20 0 BEADMN C[C@@H]1C[N@H+](CC2(CC(=O)[O-])CC2)C[C@H](C)S1 ZINC000518547058 256579300 /nfs/dbraw/zinc/57/93/00/256579300.db2.gz UMMCRIVSVADJNQ-AOOOYVTPSA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)CCC(C)C ZINC000456361203 388196689 /nfs/dbraw/zinc/19/66/89/388196689.db2.gz VVLZEMVIJHQOKG-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(CC)C[C@H]1CC ZINC000456369682 388197579 /nfs/dbraw/zinc/19/75/79/388197579.db2.gz FUJJDGSJBNPWCG-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000489008081 388202199 /nfs/dbraw/zinc/20/21/99/388202199.db2.gz ITROWESIHNNGGH-WOPDTQHZSA-N 0 1 236.363 2.164 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]2C2CC2)oc1C ZINC000449430534 388203572 /nfs/dbraw/zinc/20/35/72/388203572.db2.gz XRXPUONRBDGBTM-CYBMUJFWSA-N 0 1 249.310 2.359 20 0 BEADMN Fc1ccc2c(c1)CN(CC1CC1)CCO2 ZINC000489226731 388205988 /nfs/dbraw/zinc/20/59/88/388205988.db2.gz WSASKUNMDFSZPL-UHFFFAOYSA-N 0 1 221.275 2.430 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C2(CC)CC2)CC1 ZINC000456529971 388206409 /nfs/dbraw/zinc/20/64/09/388206409.db2.gz MIKNJEGEESFAPD-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)CCC2CC2)CC1 ZINC000456535443 388206762 /nfs/dbraw/zinc/20/67/62/388206762.db2.gz UJQJSYULOYCXKL-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN FCC1(NCc2ccccc2F)CCOCC1 ZINC000449444629 388207672 /nfs/dbraw/zinc/20/76/72/388207672.db2.gz CNICDIIJDSZFCY-UHFFFAOYSA-N 0 1 241.281 2.434 20 0 BEADMN CCC=CCNCc1cc(C(F)(F)F)n[nH]1 ZINC000449463665 388211550 /nfs/dbraw/zinc/21/15/50/388211550.db2.gz XEPUQFWRLXCWMM-ARJAWSKDSA-N 0 1 233.237 2.484 20 0 BEADMN C[N@@H+](CC(=O)N1CCCCCC1)[C@@H]1CC1(C)C ZINC000489434911 388213266 /nfs/dbraw/zinc/21/32/66/388213266.db2.gz WRDBEKJECLWXEH-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CN(CC(=O)N1CCCCCC1)[C@@H]1CC1(C)C ZINC000489434911 388213270 /nfs/dbraw/zinc/21/32/70/388213270.db2.gz WRDBEKJECLWXEH-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cnc(CNC[C@H]2CCCC2(F)F)n1C ZINC000449493030 388217486 /nfs/dbraw/zinc/21/74/86/388217486.db2.gz KLMPKSPVKCFICB-SNVBAGLBSA-N 0 1 243.301 2.254 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCCC2(F)F)n1C ZINC000449493029 388217934 /nfs/dbraw/zinc/21/79/34/388217934.db2.gz KLMPKSPVKCFICB-JTQLQIEISA-N 0 1 243.301 2.254 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)nc2)C[C@@H]1C ZINC000449501343 388219994 /nfs/dbraw/zinc/21/99/94/388219994.db2.gz VTYMQIGNVOSTMM-FZMZJTMJSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H](NCc1csc(C2CC2)n1)[C@@H](C)O ZINC000449533074 388226448 /nfs/dbraw/zinc/22/64/48/388226448.db2.gz BAOIBKFFYZCGSN-KCJUWKMLSA-N 0 1 240.372 2.270 20 0 BEADMN CCc1nnc(CN(C)C2(C)CCCC2)[nH]1 ZINC000489876383 388226855 /nfs/dbraw/zinc/22/68/55/388226855.db2.gz UGQQXENFMCZCNB-UHFFFAOYSA-N 0 1 222.336 2.132 20 0 BEADMN c1nc(CN2C[C@H](C3CC3)[C@H]2C2CC2)co1 ZINC000449543440 388227829 /nfs/dbraw/zinc/22/78/29/388227829.db2.gz SUMAIIIWBWIYCM-CHWSQXEVSA-N 0 1 218.300 2.295 20 0 BEADMN Fc1ccc(CC2(NCc3ncc[nH]3)CC2)cc1 ZINC000449564880 388233835 /nfs/dbraw/zinc/23/38/35/388233835.db2.gz HIVLFNCHNYFLMR-UHFFFAOYSA-N 0 1 245.301 2.414 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449566665 388234725 /nfs/dbraw/zinc/23/47/25/388234725.db2.gz QCUGLACECVLIEZ-WRWGMCAJSA-N 0 1 237.347 2.120 20 0 BEADMN CC(C)OC1CC(N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000449568329 388235109 /nfs/dbraw/zinc/23/51/09/388235109.db2.gz AUVDTARVJWWVPE-WTIISPKJSA-N 0 1 249.358 2.435 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)COC(C)C ZINC000449567907 388235131 /nfs/dbraw/zinc/23/51/31/388235131.db2.gz ZIEFTWBWPTXIOO-NEPJUHHUSA-N 0 1 239.363 2.367 20 0 BEADMN CC(C)OC1CC(N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000449568330 388235229 /nfs/dbraw/zinc/23/52/29/388235229.db2.gz AUVDTARVJWWVPE-XVSSEFHLSA-N 0 1 249.358 2.435 20 0 BEADMN CCCc1ncc(CN[C@@H](C)COCC)o1 ZINC000449609497 388242185 /nfs/dbraw/zinc/24/21/85/388242185.db2.gz BXFCQJIRGVZRGT-JTQLQIEISA-N 0 1 226.320 2.142 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000090978030 256575569 /nfs/dbraw/zinc/57/55/69/256575569.db2.gz RQVDCIULUHXPCB-TZMCWYRMSA-N 0 1 245.322 2.265 20 0 BEADMN CCSCCNCc1cnc(CC)o1 ZINC000449611694 388243341 /nfs/dbraw/zinc/24/33/41/388243341.db2.gz XNRPBQGILFIFRB-UHFFFAOYSA-N 0 1 214.334 2.080 20 0 BEADMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2)C12CCC2 ZINC000449630787 388246326 /nfs/dbraw/zinc/24/63/26/388246326.db2.gz JCFPVLDNHVPLDZ-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@@H](C)N1CC[NH+](CC(C)(C)COC)CC1 ZINC000449629827 388246553 /nfs/dbraw/zinc/24/65/53/388246553.db2.gz LIDPMSPCYREHAJ-CYBMUJFWSA-N 0 1 242.407 2.075 20 0 BEADMN CC(=O)CCN1Cc2ccccc2O[C@H](C)C1 ZINC000292524164 256629464 /nfs/dbraw/zinc/62/94/64/256629464.db2.gz WMFXZXPZALIALC-GFCCVEGCSA-N 0 1 233.311 2.249 20 0 BEADMN CCCn1ncnc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000451577544 388282730 /nfs/dbraw/zinc/28/27/30/388282730.db2.gz DXXUPJUYZSEAJI-BETUJISGSA-N 0 1 248.374 2.310 20 0 BEADMN COc1ccc2c(c1)CN(C(C)C)CCO2 ZINC000451645095 388286744 /nfs/dbraw/zinc/28/67/44/388286744.db2.gz YIWQJWFIORPNFG-UHFFFAOYSA-N 0 1 221.300 2.298 20 0 BEADMN CCN1CCN(C(=O)CCCC(C)C)[C@@H](C)C1 ZINC000451678806 388289110 /nfs/dbraw/zinc/28/91/10/388289110.db2.gz NUFSGSGPDLWXFH-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CN(CC)CC[N@H+]1CC1CC(F)(F)C1 ZINC000451741299 388292596 /nfs/dbraw/zinc/29/25/96/388292596.db2.gz NWUZNMXBXDEKAX-GFCCVEGCSA-N 0 1 246.345 2.448 20 0 BEADMN CCCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000451794192 388296559 /nfs/dbraw/zinc/29/65/59/388296559.db2.gz GBEKPFKYRKIRFU-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN O=C(/C=C\C1CC1)Nc1ccc2nc[nH]c2c1 ZINC000491924641 388327932 /nfs/dbraw/zinc/32/79/32/388327932.db2.gz IDVKGRRBUPCFRG-UTCJRWHESA-N 0 1 227.267 2.468 20 0 BEADMN C[C@H]1CC[C@H](CN(C)Cc2ccccn2)O1 ZINC000451364232 388265002 /nfs/dbraw/zinc/26/50/02/388265002.db2.gz CVAYJXXQUUQBPE-WCQYABFASA-N 0 1 220.316 2.081 20 0 BEADMN CCN(CC(=O)Nc1csc(C)c1)C1CC1 ZINC000634424437 388267853 /nfs/dbraw/zinc/26/78/53/388267853.db2.gz XSUCCUABJPRGSW-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CCC(CF)CC1 ZINC000451389500 388268369 /nfs/dbraw/zinc/26/83/69/388268369.db2.gz ULECFDWJWYZPQO-LBPRGKRZSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(CF)CC1 ZINC000451389432 388268880 /nfs/dbraw/zinc/26/88/80/388268880.db2.gz SWHXTWVQASXBQL-NSHDSACASA-N 0 1 231.311 2.010 20 0 BEADMN c1csc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000070131302 388276129 /nfs/dbraw/zinc/27/61/29/388276129.db2.gz CSINHAZYWZPEHJ-SSDOTTSWSA-N 0 1 221.285 2.223 20 0 BEADMN CC(C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524251840 388353562 /nfs/dbraw/zinc/35/35/62/388353562.db2.gz PFTGGUHSGSNKSO-VIFPVBQESA-N 0 1 225.254 2.438 20 0 BEADMN CCC1(NCc2cnn(-c3ccccc3)n2)CC1 ZINC000294796988 388404798 /nfs/dbraw/zinc/40/47/98/388404798.db2.gz MMFRIZGFFDARQN-UHFFFAOYSA-N 0 1 242.326 2.300 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000648791596 388359738 /nfs/dbraw/zinc/35/97/38/388359738.db2.gz FNSLPOVWGNGOPR-OLZOCXBDSA-N 0 1 247.342 2.242 20 0 BEADMN C[C@@H](CCCO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293694119 388360123 /nfs/dbraw/zinc/36/01/23/388360123.db2.gz WNBUXKSUUARCKS-VIFPVBQESA-N 0 1 243.734 2.296 20 0 BEADMN C[C@@H](CF)NCC1=Cc2ccccc2OC1 ZINC000288377933 388369815 /nfs/dbraw/zinc/36/98/15/388369815.db2.gz FUHUTYFYGLCJID-JTQLQIEISA-N 0 1 221.275 2.410 20 0 BEADMN CCN(CC(C)C)C(=O)c1cccc2nn[nH]c21 ZINC000164190657 388376714 /nfs/dbraw/zinc/37/67/14/388376714.db2.gz NVEXCWAHAVFEDU-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000236629611 388381502 /nfs/dbraw/zinc/38/15/02/388381502.db2.gz XLDJVNQOCYTIQT-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236642829 388381675 /nfs/dbraw/zinc/38/16/75/388381675.db2.gz SPHBLYNJNBTYFV-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000572901744 388386524 /nfs/dbraw/zinc/38/65/24/388386524.db2.gz ZLZWTBUERUGZSI-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000516608486 388389885 /nfs/dbraw/zinc/38/98/85/388389885.db2.gz PHFZHDNAAXKWBL-VXNVDRBHSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000516608486 388389889 /nfs/dbraw/zinc/38/98/89/388389889.db2.gz PHFZHDNAAXKWBL-VXNVDRBHSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000516608485 388389945 /nfs/dbraw/zinc/38/99/45/388389945.db2.gz PHFZHDNAAXKWBL-IONNQARKSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000516608485 388389948 /nfs/dbraw/zinc/38/99/48/388389948.db2.gz PHFZHDNAAXKWBL-IONNQARKSA-N 0 1 234.303 2.057 20 0 BEADMN CCCCN(C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000646602371 388393259 /nfs/dbraw/zinc/39/32/59/388393259.db2.gz JEVHQUFQACNOAY-PWSUYJOCSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1nc(CNCCC(C)(F)F)[nH]c1C ZINC000572986473 388402524 /nfs/dbraw/zinc/40/25/24/388402524.db2.gz JGVWIOAXXDFQGB-UHFFFAOYSA-N 0 1 217.263 2.161 20 0 BEADMN O=C(/C=C/C1CCC1)N1CCN(C2CCC2)CC1 ZINC000492069638 388333644 /nfs/dbraw/zinc/33/36/44/388333644.db2.gz MREKTMSEKULDIS-BQYQJAHWSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1n[nH]c(C)c1NC(=O)/C=C\C1CCC1 ZINC000492089243 388334179 /nfs/dbraw/zinc/33/41/79/388334179.db2.gz PKTLJSQCLUCLFF-SREVYHEPSA-N 0 1 219.288 2.321 20 0 BEADMN O=C(C=CC1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000492116256 388335649 /nfs/dbraw/zinc/33/56/49/388335649.db2.gz GXRCGAMPXXDENN-QDZRJHCZSA-N 0 1 245.326 2.260 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCN(C)C[C@@H]1C)CC ZINC000492133854 388336193 /nfs/dbraw/zinc/33/61/93/388336193.db2.gz JCWLYYBQLKUHMU-CVLUBMAASA-N 0 1 236.359 2.061 20 0 BEADMN CCC(CC)(CNCc1ncc(C)n1C)OC ZINC000492262655 388339722 /nfs/dbraw/zinc/33/97/22/388339722.db2.gz XXZBXSMIYVXHDJ-UHFFFAOYSA-N 0 1 239.363 2.023 20 0 BEADMN OCCCN(Cc1ccccc1)CC1(F)CC1 ZINC000525978309 388442180 /nfs/dbraw/zinc/44/21/80/388442180.db2.gz GOWBKWIFYFIQSV-UHFFFAOYSA-N 0 1 237.318 2.373 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1nccn1C ZINC000308543705 388442771 /nfs/dbraw/zinc/44/27/71/388442771.db2.gz MNWIEHWPKBPSQF-LLVKDONJSA-N 0 1 239.363 2.276 20 0 BEADMN Cn1cc(Cl)c(CNC2CCSCC2)n1 ZINC000335618379 388451806 /nfs/dbraw/zinc/45/18/06/388451806.db2.gz OESWOXUSWXKERY-UHFFFAOYSA-N 0 1 245.779 2.059 20 0 BEADMN Cc1cnc(CN[C@@H]2COC(C)(C)C2)s1 ZINC000335658535 388452818 /nfs/dbraw/zinc/45/28/18/388452818.db2.gz ZUVSCGAPJFFYIN-VIFPVBQESA-N 0 1 226.345 2.109 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC[C@H](C2CC2)C1 ZINC000336616686 388458989 /nfs/dbraw/zinc/45/89/89/388458989.db2.gz PSKOWBVTUMIJKG-JTQLQIEISA-N 0 1 249.285 2.403 20 0 BEADMN C[C@H](CN[C@H](C)c1nccn1C)C(F)(F)F ZINC000336726939 388470270 /nfs/dbraw/zinc/47/02/70/388470270.db2.gz BVWIEDMDLWXGJO-HTQZYQBOSA-N 0 1 235.253 2.269 20 0 BEADMN Cc1cc(C)c(CNCc2ccncc2)cn1 ZINC000397508651 388474967 /nfs/dbraw/zinc/47/49/67/388474967.db2.gz WECLKDOKPJZCMP-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCC1(CC)CN(C[C@H](O)CC(F)(F)F)C1 ZINC000307936160 388428654 /nfs/dbraw/zinc/42/86/54/388428654.db2.gz MTEMOQQHNCYEBJ-SECBINFHSA-N 0 1 239.281 2.422 20 0 BEADMN Cc1nc(CNCC(C)(C)C(C)(C)O)cs1 ZINC000393649176 388436134 /nfs/dbraw/zinc/43/61/34/388436134.db2.gz MFDYLVYQIZZBRF-UHFFFAOYSA-N 0 1 242.388 2.338 20 0 BEADMN CO[C@@H]1C[C@H](NCc2cc(C)on2)C12CCC2 ZINC000308400379 388437685 /nfs/dbraw/zinc/43/76/85/388437685.db2.gz WBYKJMFLVPFKSL-NWDGAFQWSA-N 0 1 236.315 2.030 20 0 BEADMN C/C(Cl)=C\CN1CCCC[C@H]1c1nnc[nH]1 ZINC000528515980 388539723 /nfs/dbraw/zinc/53/97/23/388539723.db2.gz IGNZQKAHGODICY-CYNRKNSPSA-N 0 1 240.738 2.474 20 0 BEADMN C[C@H](O)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000649287194 388543722 /nfs/dbraw/zinc/54/37/22/388543722.db2.gz MBTKNCVXDWKZSA-ZFWWWQNUSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000517240989 388544466 /nfs/dbraw/zinc/54/44/66/388544466.db2.gz ODTKMGWCQXOGFO-DGCLKSJQSA-N 0 1 248.326 2.329 20 0 BEADMN CN(CC1CCCCC1)C(=O)CN1CCCC1 ZINC000079798856 388546247 /nfs/dbraw/zinc/54/62/47/388546247.db2.gz MHNUMQNNYQJUMO-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN COC[C@H](C)Nc1cc2c(cn1)CCC2 ZINC000339553800 388484752 /nfs/dbraw/zinc/48/47/52/388484752.db2.gz JCCFUZLTATZSIH-VIFPVBQESA-N 0 1 206.289 2.017 20 0 BEADMN CO[C@@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000339527631 388484785 /nfs/dbraw/zinc/48/47/85/388484785.db2.gz PRUCOYYPAVBCRW-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H](NCc1cscn1)[C@]1(C)CCCO1 ZINC000340213316 388488861 /nfs/dbraw/zinc/48/88/61/388488861.db2.gz CEOKFSRMSDXZHO-ONGXEEELSA-N 0 1 226.345 2.190 20 0 BEADMN CCOC(=O)CN1CCC[C@H]1CCC(C)C ZINC000135302774 388490253 /nfs/dbraw/zinc/49/02/53/388490253.db2.gz FFOYYZBSSNCHGI-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCCC[C@H](C(=O)OC)N(C)CCC1CC1 ZINC000135300916 388490883 /nfs/dbraw/zinc/49/08/83/388490883.db2.gz LMZZFIJPXYDFCU-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1nncn1C ZINC000135339806 388492650 /nfs/dbraw/zinc/49/26/50/388492650.db2.gz VYMFCIXSISILOE-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CO[C@@H](CNCc1nc(C)c(C)s1)C1CC1 ZINC000378753331 388496851 /nfs/dbraw/zinc/49/68/51/388496851.db2.gz QENFJESXPMULDK-NSHDSACASA-N 0 1 240.372 2.275 20 0 BEADMN CC(C)CN(C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000646776065 388497355 /nfs/dbraw/zinc/49/73/55/388497355.db2.gz FYAOQGLHKHUHDR-PWSUYJOCSA-N 0 1 249.358 2.190 20 0 BEADMN CC(C)C(CNC(=O)C1(N(C)C)CC1)C(C)C ZINC000613866569 388503709 /nfs/dbraw/zinc/50/37/09/388503709.db2.gz KJYLOWOFPGPCJR-UHFFFAOYSA-N 0 1 240.391 2.125 20 0 BEADMN CC[C@]1(C)CN(CCOC(C)(C)C)CCO1 ZINC000135710407 388506797 /nfs/dbraw/zinc/50/67/97/388506797.db2.gz ABHGHCZPPXXLBH-CYBMUJFWSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@]2(C)CCCO2)cs1 ZINC000378800023 388508028 /nfs/dbraw/zinc/50/80/28/388508028.db2.gz TZMRTZIGBIZIGW-CABZTGNLSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1ccncc1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000548091953 388509910 /nfs/dbraw/zinc/50/99/10/388509910.db2.gz RXBDHTRNEYXKNZ-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000548096386 388511421 /nfs/dbraw/zinc/51/14/21/388511421.db2.gz OPXIEPLOJYHXLR-MBNYWOFBSA-N 0 1 246.354 2.299 20 0 BEADMN C/C(Cl)=C/CN1CC[C@@H](n2cccn2)C1 ZINC000528511470 388512020 /nfs/dbraw/zinc/51/20/20/388512020.db2.gz USIJICMFYDDOIQ-LBQOUHFTSA-N 0 1 225.723 2.273 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@H]2CCCCO2)c2nccn21 ZINC000345355630 388514161 /nfs/dbraw/zinc/51/41/61/388514161.db2.gz SSIWPGCVRGMMLG-WOPDTQHZSA-N 0 1 235.331 2.048 20 0 BEADMN Cc1nccc(NC[C@H]2CC[C@H](C)O2)c1Cl ZINC000398053035 388516706 /nfs/dbraw/zinc/51/67/06/388516706.db2.gz GNODTJKJWKNGHM-WCBMZHEXSA-N 0 1 240.734 2.445 20 0 BEADMN CC[C@@H](F)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000516879088 388522706 /nfs/dbraw/zinc/52/27/06/388522706.db2.gz LLXXHFHGYPXESB-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN COCc1ccc(CN[C@H]2C[C@@H]2C(F)F)o1 ZINC000348209543 388527043 /nfs/dbraw/zinc/52/70/43/388527043.db2.gz KCRXABXZLVGTCP-UWVGGRQHSA-N 0 1 231.242 2.169 20 0 BEADMN C/C(Cl)=C/CN[C@@H](C)c1cnn(C)c1 ZINC000528449612 388527367 /nfs/dbraw/zinc/52/73/67/388527367.db2.gz OVXDMJRPGKQVNP-OTOXVQDCSA-N 0 1 213.712 2.213 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)CN1CCC(C)CC1 ZINC000136260759 388529531 /nfs/dbraw/zinc/52/95/31/388529531.db2.gz OADXLZKWPIKNKL-STQMWFEESA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1nc(C)c(C)[nH]1)OC ZINC000516981190 388530713 /nfs/dbraw/zinc/53/07/13/388530713.db2.gz GRZRXFKIDHUEOX-BXKDBHETSA-N 0 1 239.363 2.177 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000517006699 388530986 /nfs/dbraw/zinc/53/09/86/388530986.db2.gz RDKUBQLMGLXLFK-IWIIMEHWSA-N 0 1 247.342 2.370 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ncccc1Cl ZINC000528467147 388531666 /nfs/dbraw/zinc/53/16/66/388531666.db2.gz XCHFDHFRLMZGEX-JTQLQIEISA-N 0 1 240.734 2.082 20 0 BEADMN c1c(CN2CCC[C@H]2C2CC2)nnn1CC1CC1 ZINC000649284261 388533069 /nfs/dbraw/zinc/53/30/69/388533069.db2.gz DIZPWVFCUDRFOO-AWEZNQCLSA-N 0 1 246.358 2.063 20 0 BEADMN C[C@@H](c1cccc(F)c1)N1CCN(C)CC1 ZINC000079482484 388534938 /nfs/dbraw/zinc/53/49/38/388534938.db2.gz BDCJEOQJFVBIKY-NSHDSACASA-N 0 1 222.307 2.134 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000082343031 388587282 /nfs/dbraw/zinc/58/72/82/388587282.db2.gz GXYOGDKTLGFCGI-YPMHNXCESA-N 0 1 233.311 2.290 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000082791329 388587708 /nfs/dbraw/zinc/58/77/08/388587708.db2.gz YGFVZWGVKUKAKX-MRVPVSSYSA-N 0 1 239.702 2.171 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC(=O)N(C)C1CC1 ZINC000138292366 388591706 /nfs/dbraw/zinc/59/17/06/388591706.db2.gz WUYSEGKTDHUYPN-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN CC1(C)CC(C[N@H+]2CCCC[C@H]2C(=O)[O-])C1 ZINC000530160768 388617340 /nfs/dbraw/zinc/61/73/40/388617340.db2.gz LZFKUULBCRFGCK-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN CCc1nocc1CNc1ccc2nn[nH]c2c1 ZINC000550175495 388600953 /nfs/dbraw/zinc/60/09/53/388600953.db2.gz WZSNENVERIBFDK-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN CCc1nocc1CNc1ccc2n[nH]nc2c1 ZINC000550175495 388600955 /nfs/dbraw/zinc/60/09/55/388600955.db2.gz WZSNENVERIBFDK-UHFFFAOYSA-N 0 1 243.270 2.120 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@H](C)[C@H]1C ZINC000245720768 388601102 /nfs/dbraw/zinc/60/11/02/388601102.db2.gz ARGPDIJNTXYZQJ-WDEREUQCSA-N 0 1 236.363 2.227 20 0 BEADMN CCC1(CC)CN(CC(C)C)CC[S@@]1=O ZINC000185238192 256852448 /nfs/dbraw/zinc/85/24/48/256852448.db2.gz FUCDJFDDBZMYCA-HNNXBMFYSA-N 0 1 231.405 2.266 20 0 BEADMN CC1(C)CC[C@H](CN2CCOCC2(C)C)O1 ZINC000186757075 388603150 /nfs/dbraw/zinc/60/31/50/388603150.db2.gz OZKKILWZDYCWMP-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN CC(=O)c1cccc(CN(CCCO)C2CC2)c1 ZINC000649315942 388604371 /nfs/dbraw/zinc/60/43/71/388604371.db2.gz DNZCSYVWKUAJET-UHFFFAOYSA-N 0 1 247.338 2.236 20 0 BEADMN O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccco1 ZINC000530026705 388605553 /nfs/dbraw/zinc/60/55/53/388605553.db2.gz NMIDWUKPJCASEH-GFCCVEGCSA-N 0 1 248.326 2.026 20 0 BEADMN c1nc2c(ncnc2NCC23CCC(CC2)C3)[nH]1 ZINC000550430745 388608338 /nfs/dbraw/zinc/60/83/38/388608338.db2.gz FYCBAYYWVIVHDT-UHFFFAOYSA-N 0 1 243.314 2.297 20 0 BEADMN CC=CC=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000082184091 388609369 /nfs/dbraw/zinc/60/93/69/388609369.db2.gz DTLMCUWCZTYWFH-MQQKCMAXSA-N 0 1 228.255 2.029 20 0 BEADMN O=C(NCCCC1CC1)c1ccc2cncn2c1 ZINC000550718917 388613213 /nfs/dbraw/zinc/61/32/13/388613213.db2.gz GARCXNOBJBWYRH-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN CCC(F)(F)CNC[C@H]1CCSC1 ZINC000623678987 388614710 /nfs/dbraw/zinc/61/47/10/388614710.db2.gz DTDWAOOFVHOVSP-MRVPVSSYSA-N 0 1 209.305 2.374 20 0 BEADMN Cc1noc(C23CC(C2)CN3C2CCCC2)n1 ZINC000528615769 388552559 /nfs/dbraw/zinc/55/25/59/388552559.db2.gz CZYXJMTTXOWCQB-UHFFFAOYSA-N 0 1 233.315 2.242 20 0 BEADMN CCCCN1CC2CC1(c1nc(C)no1)C2 ZINC000528632209 388553422 /nfs/dbraw/zinc/55/34/22/388553422.db2.gz WSSPHUIDPGGDHZ-UHFFFAOYSA-N 0 1 221.304 2.099 20 0 BEADMN Cc1cnc([C@@H](C)N2CCN(C)C(C)(C)C2)o1 ZINC000521062939 388560408 /nfs/dbraw/zinc/56/04/08/388560408.db2.gz DJHFGYBRTVGAHA-LLVKDONJSA-N 0 1 237.347 2.070 20 0 BEADMN C[C@H](O)CCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528775326 388571136 /nfs/dbraw/zinc/57/11/36/388571136.db2.gz XKUQWNAMTSVCIR-ZJUUUORDSA-N 0 1 221.291 2.267 20 0 BEADMN CC[C@@H](C)[C@](C)(O)CNCc1cscn1 ZINC000164003251 135212021 /nfs/dbraw/zinc/21/20/21/135212021.db2.gz KSJFNUCLWMHNIG-MWLCHTKSSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@H](NCCC1(O)CCC1)c1ncccc1F ZINC000528822992 388576848 /nfs/dbraw/zinc/57/68/48/388576848.db2.gz KGQDLHFSULZFPD-JTQLQIEISA-N 0 1 238.306 2.176 20 0 BEADMN CC/C=C/CCN(CC)[C@H](C)CS(C)(=O)=O ZINC000184550898 388579816 /nfs/dbraw/zinc/57/98/16/388579816.db2.gz GHDNFSDNOLDGIP-ABZNLYFFSA-N 0 1 247.404 2.098 20 0 BEADMN CC[C@H](NCc1ncc(Cl)s1)[C@@H](C)O ZINC000387442153 388581447 /nfs/dbraw/zinc/58/14/47/388581447.db2.gz PQSQTKKZUWJVQH-RQJHMYQMSA-N 0 1 234.752 2.046 20 0 BEADMN CCCC[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185238774 388585430 /nfs/dbraw/zinc/58/54/30/388585430.db2.gz ZLKHAZXPHQJGPQ-HNNXBMFYSA-N 0 1 231.405 2.410 20 0 BEADMN CCCCN1CC[S@](=O)C(CC)(CC)C1 ZINC000185238774 388585432 /nfs/dbraw/zinc/58/54/32/388585432.db2.gz ZLKHAZXPHQJGPQ-HNNXBMFYSA-N 0 1 231.405 2.410 20 0 BEADMN CCC1(CC)C[N@@H+](CC2CC2)CC[S@]1=O ZINC000185249624 388585575 /nfs/dbraw/zinc/58/55/75/388585575.db2.gz NQJOWPSWMXXMCQ-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN CCC1(CC)CN(CC2CC2)CC[S@]1=O ZINC000185249624 388585576 /nfs/dbraw/zinc/58/55/76/388585576.db2.gz NQJOWPSWMXXMCQ-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN CCn1cc(CN(C)CC[C@H](C)F)cn1 ZINC000552080329 388667100 /nfs/dbraw/zinc/66/71/00/388667100.db2.gz KTAFRNYDBFRFPE-JTQLQIEISA-N 0 1 213.300 2.083 20 0 BEADMN C(SC[C@@H]1CCCO1)c1n[nH]c(C2CC2)n1 ZINC000191765477 388669336 /nfs/dbraw/zinc/66/93/36/388669336.db2.gz FEFXTJRVADXGGZ-VIFPVBQESA-N 0 1 239.344 2.094 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@H](C)c1nc(COC)no1 ZINC000248374258 388677716 /nfs/dbraw/zinc/67/77/16/388677716.db2.gz OZADGQVUATYVKD-LPEHRKFASA-N 0 1 241.335 2.301 20 0 BEADMN c1cc(CSc2nc(C3CC3)n[nH]2)ccn1 ZINC000192450658 388678531 /nfs/dbraw/zinc/67/85/31/388678531.db2.gz SCIHFZAFIUMMAM-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN c1cc(CSc2n[nH]c(C3CC3)n2)ccn1 ZINC000192450658 388678535 /nfs/dbraw/zinc/67/85/35/388678535.db2.gz SCIHFZAFIUMMAM-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN CC[C@H](C)CN(C)[C@H](C)c1nc(COC)no1 ZINC000248441269 388680531 /nfs/dbraw/zinc/68/05/31/388680531.db2.gz DNKAUORASMUTLL-VHSXEESVSA-N 0 1 241.335 2.255 20 0 BEADMN O=C([O-])c1ccc(F)c2c1C[N@@H+](CC1CC1)CC2 ZINC000530168399 388619486 /nfs/dbraw/zinc/61/94/86/388619486.db2.gz LNGUJHPUUUILAH-UHFFFAOYSA-N 0 1 249.285 2.292 20 0 BEADMN CCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168429 388619674 /nfs/dbraw/zinc/61/96/74/388619674.db2.gz MSEZRUKMDAVWHY-UHFFFAOYSA-N 0 1 237.274 2.292 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCC1CC1 ZINC000530166888 388619706 /nfs/dbraw/zinc/61/97/06/388619706.db2.gz SNXBCXROHCFPJQ-GFCCVEGCSA-N 0 1 235.283 2.064 20 0 BEADMN CC(C)CC[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530171680 388620046 /nfs/dbraw/zinc/62/00/46/388620046.db2.gz ZKCCSYOZWSJNMM-GFCCVEGCSA-N 0 1 237.299 2.310 20 0 BEADMN Cc1ncncc1[C@@H](C)NCc1cccc(O)c1 ZINC000521643781 388621343 /nfs/dbraw/zinc/62/13/43/388621343.db2.gz OPOBDGVAFYRIQN-SNVBAGLBSA-N 0 1 243.310 2.341 20 0 BEADMN CC(C)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530180348 388622642 /nfs/dbraw/zinc/62/26/42/388622642.db2.gz XZRTYBVYHUGUAC-JGPRNRPPSA-N 0 1 213.321 2.216 20 0 BEADMN c1ccc2c(c1)CC(CN1CCOCC13CC3)C2 ZINC000521702656 388625153 /nfs/dbraw/zinc/62/51/53/388625153.db2.gz SEVBLMRZRIEFLI-UHFFFAOYSA-N 0 1 243.350 2.266 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530211226 388627752 /nfs/dbraw/zinc/62/77/52/388627752.db2.gz NQDVIOUWMLBSDW-PWSUYJOCSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@H]1SCCN(CCOCC(F)F)[C@@H]1C ZINC000189356499 388631853 /nfs/dbraw/zinc/63/18/53/388631853.db2.gz BCPQPUOKVPYRLC-RKDXNWHRSA-N 0 1 239.331 2.094 20 0 BEADMN C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328483932 388644422 /nfs/dbraw/zinc/64/44/22/388644422.db2.gz QMYWNRWWLBYKDS-DTWKUNHWSA-N 0 1 243.734 2.295 20 0 BEADMN C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328483937 388644581 /nfs/dbraw/zinc/64/45/81/388644581.db2.gz QMYWNRWWLBYKDS-RKDXNWHRSA-N 0 1 243.734 2.295 20 0 BEADMN C[C@@H]1C[C@H]1CNc1ccc2nn[nH]c2c1 ZINC000328669194 388646029 /nfs/dbraw/zinc/64/60/29/388646029.db2.gz LVZBREXKFDCKFQ-SFYZADRCSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@@H]1C[C@H]1CNc1ccc2n[nH]nc2c1 ZINC000328669194 388646032 /nfs/dbraw/zinc/64/60/32/388646032.db2.gz LVZBREXKFDCKFQ-SFYZADRCSA-N 0 1 202.261 2.026 20 0 BEADMN Cc1cc(OCc2cnc(C)nc2)cc(C)n1 ZINC000551922524 388647076 /nfs/dbraw/zinc/64/70/76/388647076.db2.gz DICWEBKRBPNZSO-UHFFFAOYSA-N 0 1 229.283 2.376 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCSC[C@H](C)C1 ZINC000190456069 388650534 /nfs/dbraw/zinc/65/05/34/388650534.db2.gz NJVHPQCGYOOCPE-GHMZBOCLSA-N 0 1 245.388 2.013 20 0 BEADMN O=C(N[C@H]1C=CCCC1)c1ccc(F)cc1O ZINC000124112718 388660352 /nfs/dbraw/zinc/66/03/52/388660352.db2.gz SDHDEEKDLGPCKR-JTQLQIEISA-N 0 1 235.258 2.370 20 0 BEADMN CCN(C(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1C ZINC000522248672 388734012 /nfs/dbraw/zinc/73/40/12/388734012.db2.gz QNAPQMQENIXNOX-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CCN(C(=O)[C@@H]1CCCN1C)c1ccccc1C ZINC000522248672 388734014 /nfs/dbraw/zinc/73/40/14/388734014.db2.gz QNAPQMQENIXNOX-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccccc1N(C)C ZINC000067574066 388734976 /nfs/dbraw/zinc/73/49/76/388734976.db2.gz FHTRHJDJQPCXQH-UHFFFAOYSA-N 0 1 249.358 2.031 20 0 BEADMN CCCN(CCO)Cc1cnc(C2CC2)s1 ZINC000128039944 388736436 /nfs/dbraw/zinc/73/64/36/388736436.db2.gz NGUZOSGFLJPJJZ-UHFFFAOYSA-N 0 1 240.372 2.225 20 0 BEADMN O=C([O-])CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000552848695 388738410 /nfs/dbraw/zinc/73/84/10/388738410.db2.gz KJMWVERITCOHSQ-UHFFFAOYSA-N 0 1 249.266 2.350 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227169513 388742820 /nfs/dbraw/zinc/74/28/20/388742820.db2.gz ZKROTWRLZIIDGN-QWRGUYRKSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000227105248 388746945 /nfs/dbraw/zinc/74/69/45/388746945.db2.gz XFTFVKGJLGAZDB-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN COC[C@H]1CN(Cc2cccc(C)c2)C[C@@H](C)O1 ZINC000251516066 388748547 /nfs/dbraw/zinc/74/85/47/388748547.db2.gz CJUPOAFVEJPOJB-UKRRQHHQSA-N 0 1 249.354 2.231 20 0 BEADMN COC[C@H]1CN(Cc2ccc(C)cc2)C[C@@H](C)O1 ZINC000251637013 388750475 /nfs/dbraw/zinc/75/04/75/388750475.db2.gz HAPDKHZMKXAXMW-UKRRQHHQSA-N 0 1 249.354 2.231 20 0 BEADMN CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000248850365 388695676 /nfs/dbraw/zinc/69/56/76/388695676.db2.gz FMIMKHDSKUTHBG-VXGBXAGGSA-N 0 1 238.375 2.260 20 0 BEADMN CN(C)CC(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000649007111 388700293 /nfs/dbraw/zinc/70/02/93/388700293.db2.gz ZMAXBHVYWXGUGR-CQSZACIVSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC(=O)[C@@H](C)N(C[C@@H](C)CC)C1CC1 ZINC000248946739 388700878 /nfs/dbraw/zinc/70/08/78/388700878.db2.gz DLWIGEUDMYQDCJ-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](C[N@H+]1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000248997213 388703298 /nfs/dbraw/zinc/70/32/98/388703298.db2.gz GYEPVWRKOLATKG-STQMWFEESA-N 0 1 246.354 2.001 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CC23CCCCC3)[nH]1 ZINC000538694710 388706027 /nfs/dbraw/zinc/70/60/27/388706027.db2.gz ZRQIQUCBCGLRIY-VIFPVBQESA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CC23CCCCC3)n1 ZINC000538694710 388706029 /nfs/dbraw/zinc/70/60/29/388706029.db2.gz ZRQIQUCBCGLRIY-VIFPVBQESA-N 0 1 248.330 2.276 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCCN(C)C2=O)cc1 ZINC000538703633 388707384 /nfs/dbraw/zinc/70/73/84/388707384.db2.gz YPIGWTPJPJCDFX-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN CC(C)CNC(=O)C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000127110710 388714864 /nfs/dbraw/zinc/71/48/64/388714864.db2.gz GPBYYXWCPOGFDO-QWHCGFSZSA-N 0 1 240.391 2.127 20 0 BEADMN Cc1ncccc1NC(=O)c1c(O)cccc1F ZINC000127601020 388726900 /nfs/dbraw/zinc/72/69/00/388726900.db2.gz GTVVOAACFQFZOG-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC[C@@]1(CO)CCCN([C@H](C)c2cnccn2)C1 ZINC000249543337 388727574 /nfs/dbraw/zinc/72/75/74/388727574.db2.gz FNIFUXPPTIXSHD-TZMCWYRMSA-N 0 1 249.358 2.022 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@H]2C)n1C ZINC000249718203 388732007 /nfs/dbraw/zinc/73/20/07/388732007.db2.gz KJMWPERIOLHSJD-ZYHUDNBSSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@@H](CF)NCc1cnn(C(C)(C)C)c1 ZINC000288555273 388795679 /nfs/dbraw/zinc/79/56/79/388795679.db2.gz YCACNWPAFCHHFC-VIFPVBQESA-N 0 1 213.300 2.086 20 0 BEADMN CCCn1nc(C)c(CN[C@@H](C)CF)c1C ZINC000288562846 388803971 /nfs/dbraw/zinc/80/39/71/388803971.db2.gz YUVZGPJVJAOSKL-VIFPVBQESA-N 0 1 227.327 2.358 20 0 BEADMN C[C@@H](CF)NCc1cncc(Br)c1 ZINC000288573155 388805778 /nfs/dbraw/zinc/80/57/78/388805778.db2.gz ZYJNZURBJRWBST-ZETCQYMHSA-N 0 1 247.111 2.292 20 0 BEADMN CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062534 388758476 /nfs/dbraw/zinc/75/84/76/388758476.db2.gz OUNNPIMKPNATCN-ZIAGYGMSSA-N 0 1 246.354 2.130 20 0 BEADMN Cc1cc(C(=O)CN2C[C@H](C)[C@H](C)C2)c(C)n1C ZINC000091528040 388764341 /nfs/dbraw/zinc/76/43/41/388764341.db2.gz HWENVMRGDVBINE-PHIMTYICSA-N 0 1 248.370 2.412 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCSC(C)(C)CC1 ZINC000228088000 388769242 /nfs/dbraw/zinc/76/92/42/388769242.db2.gz IMDLPKOPFSDBEM-SNVBAGLBSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1cscn1 ZINC000252729276 388776188 /nfs/dbraw/zinc/77/61/88/388776188.db2.gz FZJQJIFPNXGLQO-OPRDCNLKSA-N 0 1 226.345 2.097 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C[C@H]1C ZINC000648742451 388776929 /nfs/dbraw/zinc/77/69/29/388776929.db2.gz XZIXYPOJKZBLMF-RISCZKNCSA-N 0 1 235.327 2.249 20 0 BEADMN C[C@@H](CF)NCc1cnc2ccc(Cl)cn12 ZINC000288539536 388786130 /nfs/dbraw/zinc/78/61/30/388786130.db2.gz WMIHJTYRZXJDQA-QMMMGPOBSA-N 0 1 241.697 2.435 20 0 BEADMN C(CSc1nc(C2CC2)n[nH]1)OC1CCC1 ZINC000553718001 388788507 /nfs/dbraw/zinc/78/85/07/388788507.db2.gz QPROBWFPUKYOSX-UHFFFAOYSA-N 0 1 239.344 2.343 20 0 BEADMN C(CSc1n[nH]c(C2CC2)n1)OC1CCC1 ZINC000553718001 388788509 /nfs/dbraw/zinc/78/85/09/388788509.db2.gz QPROBWFPUKYOSX-UHFFFAOYSA-N 0 1 239.344 2.343 20 0 BEADMN Cc1csc(CN[C@@]2(C)CCO[C@H]2C)n1 ZINC000230155080 388817693 /nfs/dbraw/zinc/81/76/93/388817693.db2.gz CWXRHAXNGXMAIN-ONGXEEELSA-N 0 1 226.345 2.109 20 0 BEADMN O=C(/C=C/C1CC1)Nc1ccc2nc[nH]c2c1 ZINC000253460906 388818865 /nfs/dbraw/zinc/81/88/65/388818865.db2.gz IDVKGRRBUPCFRG-ZZXKWVIFSA-N 0 1 227.267 2.468 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[nH]1 ZINC000648768708 388856289 /nfs/dbraw/zinc/85/62/89/388856289.db2.gz PCAFZMRFNJTTHX-DTWKUNHWSA-N 0 1 236.319 2.124 20 0 BEADMN CC1(CN2CC[S@](=O)C(C)(C)CC2)CC1 ZINC000556161809 388869511 /nfs/dbraw/zinc/86/95/11/388869511.db2.gz OXIIJVFHUIGWOP-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN c1cc(CN(C[C@H]2CCCO2)C2CCCC2)n[nH]1 ZINC000093666226 388845951 /nfs/dbraw/zinc/84/59/51/388845951.db2.gz NWTOXJDXXPAYPF-CQSZACIVSA-N 0 1 249.358 2.333 20 0 BEADMN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCCCC1 ZINC000642649051 388846456 /nfs/dbraw/zinc/84/64/56/388846456.db2.gz KULXBYBVCBRBHD-UHFFFAOYSA-N 0 1 245.282 2.296 20 0 BEADMN Cc1nnsc1CN(C)[C@H](C)C1(C)CC1 ZINC000572562127 388888772 /nfs/dbraw/zinc/88/87/72/388888772.db2.gz RNEKRKOAYMVWQG-SECBINFHSA-N 0 1 225.361 2.467 20 0 BEADMN c1nnsc1CN1CCc2ccccc2CC1 ZINC000564557740 388877232 /nfs/dbraw/zinc/87/72/32/388877232.db2.gz FAPAOWNQSQBDPV-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH+]1 ZINC000565040836 388909903 /nfs/dbraw/zinc/90/99/03/388909903.db2.gz KWHAQDREHPOVFK-VHSXEESVSA-N 0 1 220.272 2.055 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C)C1 ZINC000565102147 388915103 /nfs/dbraw/zinc/91/51/03/388915103.db2.gz DNSDUSFRKIPRST-VIFPVBQESA-N 0 1 237.299 2.382 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCF)C[C@@]1(C)C(=O)[O-] ZINC000565112650 388916354 /nfs/dbraw/zinc/91/63/54/388916354.db2.gz OFXLSYKNUPTJKX-ZYHUDNBSSA-N 0 1 231.311 2.169 20 0 BEADMN CCCN(Cc1nccnc1OC)C(C)C ZINC000565230890 388929894 /nfs/dbraw/zinc/92/98/94/388929894.db2.gz WQZWLLNXIUZEFN-UHFFFAOYSA-N 0 1 223.320 2.106 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCSC2(CCC2)CC1 ZINC000565252792 388932017 /nfs/dbraw/zinc/93/20/17/388932017.db2.gz DXMLESZNCNPKCM-JTQLQIEISA-N 0 1 243.372 2.211 20 0 BEADMN C[C@@]12C[N@@H+](CCCCC(=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000565253121 388932043 /nfs/dbraw/zinc/93/20/43/388932043.db2.gz GKRGNXYCZOMOQT-OSFYFWSMSA-N 0 1 249.354 2.385 20 0 BEADMN CCc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000565253711 388933343 /nfs/dbraw/zinc/93/33/43/388933343.db2.gz JNLSNQCYZJIKCS-LLVKDONJSA-N 0 1 235.327 2.196 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H]3CCC[C@@H]3C2)n1C ZINC000153371988 388967708 /nfs/dbraw/zinc/96/77/08/388967708.db2.gz HSVWRYRKKVFOLM-TXEJJXNPSA-N 0 1 248.374 2.170 20 0 BEADMN C(c1nnc(C2CC2)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153206281 388951222 /nfs/dbraw/zinc/95/12/22/388951222.db2.gz RPNBLPLHAUMQDZ-GHMZBOCLSA-N 0 1 233.315 2.179 20 0 BEADMN CCN(CCC1CC1)Cc1snnc1C ZINC000565542460 388952200 /nfs/dbraw/zinc/95/22/00/388952200.db2.gz ZKUAKESAFQBZNV-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN CC(=O)c1cc(CN(C)[C@H](C)C2CC2)on1 ZINC000565841589 388972394 /nfs/dbraw/zinc/97/23/94/388972394.db2.gz FVFVLPFJPMGBAJ-MRVPVSSYSA-N 0 1 222.288 2.108 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2O)[C@@H]1C ZINC000565860848 388974325 /nfs/dbraw/zinc/97/43/25/388974325.db2.gz RUPANOMZBLRPCP-NXEZZACHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])[C@@H]1C ZINC000565860848 388974328 /nfs/dbraw/zinc/97/43/28/388974328.db2.gz RUPANOMZBLRPCP-NXEZZACHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])[C@@H]1C ZINC000565860848 388974326 /nfs/dbraw/zinc/97/43/26/388974326.db2.gz RUPANOMZBLRPCP-NXEZZACHSA-N 0 1 206.289 2.018 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)C(C)(C)C ZINC000265269940 388992678 /nfs/dbraw/zinc/99/26/78/388992678.db2.gz VSCNPGNZOFPZIJ-MRVPVSSYSA-N 0 1 223.320 2.017 20 0 BEADMN C[C@H](NCCO)c1c(F)cccc1Cl ZINC000271773997 389023467 /nfs/dbraw/zinc/02/34/67/389023467.db2.gz JIMNMSVONDCMJN-ZETCQYMHSA-N 0 1 217.671 2.122 20 0 BEADMN C[C@@H](NCCF)c1ccc([S@](C)=O)cc1 ZINC000273059320 389037235 /nfs/dbraw/zinc/03/72/35/389037235.db2.gz ZTARUXYVNHKRNL-PSLIRLAXSA-N 0 1 229.320 2.044 20 0 BEADMN C[C@@]1(NCc2cscn2)CCO[C@@H]1C1CC1 ZINC000273066711 389038017 /nfs/dbraw/zinc/03/80/17/389038017.db2.gz NPWXWXHDNOJAGQ-VXGBXAGGSA-N 0 1 238.356 2.190 20 0 BEADMN Cc1nnc([C@H](C)NCCc2cccnc2)s1 ZINC000273613832 389042284 /nfs/dbraw/zinc/04/22/84/389042284.db2.gz OPFKIKFOJMYBPJ-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccnn2C(C)C)C1 ZINC000510107711 533291463 /nfs/dbraw/zinc/29/14/63/533291463.db2.gz BMFVFISEJYHMFB-BETUJISGSA-N 0 1 237.347 2.073 20 0 BEADMN COCc1noc(-c2ccc(Cl)cc2O)n1 ZINC000082644491 322824928 /nfs/dbraw/zinc/82/49/28/322824928.db2.gz KYQPLAXNNPLGAA-UHFFFAOYSA-N 0 1 240.646 2.242 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000082725432 322825189 /nfs/dbraw/zinc/82/51/89/322825189.db2.gz WZJUMRQRRGAFIJ-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@@H](C(=O)N1CCCc2ccccc21)N(C)C ZINC000268756516 132192858 /nfs/dbraw/zinc/19/28/58/132192858.db2.gz XZOCOEXMOVTLCZ-ZDUSSCGKSA-N 0 1 246.354 2.306 20 0 BEADMN c1ncc(CN2CCCc3ccccc32)[nH]1 ZINC000095561794 132240541 /nfs/dbraw/zinc/24/05/41/132240541.db2.gz BEIOOMXWXHHPHG-UHFFFAOYSA-N 0 1 213.284 2.363 20 0 BEADMN CN1CCC[C@@H](Oc2cnccc2Cl)C1 ZINC001226294220 974847728 /nfs/dbraw/zinc/84/77/28/974847728.db2.gz BDRQLEAATRQPKT-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCCCCO1 ZINC000334243238 133592361 /nfs/dbraw/zinc/59/23/61/133592361.db2.gz PKTDIBHPAJBEAZ-UHFFFAOYSA-N 0 1 239.246 2.089 20 0 BEADMN CCN(Cc1ncc(C)n1C)CC1CCC1 ZINC000342847975 133601965 /nfs/dbraw/zinc/60/19/65/133601965.db2.gz QGZVTJIPICFZQA-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN c1cn(-c2ccccc2)c(CNC2CC2)n1 ZINC000190668850 133665817 /nfs/dbraw/zinc/66/58/17/133665817.db2.gz RCEKJQCRQBFQNO-UHFFFAOYSA-N 0 1 213.284 2.124 20 0 BEADMN O=C(C1=CCCCC1)N1CCN2CCCC[C@H]2C1 ZINC000335930995 134011143 /nfs/dbraw/zinc/01/11/43/134011143.db2.gz SWOWLPYBICBBNN-AWEZNQCLSA-N 0 1 248.370 2.184 20 0 BEADMN COC[C@@H]1C[N@H+](C2CCCC2)CC(C)(C)O1 ZINC000335936435 134012544 /nfs/dbraw/zinc/01/25/44/134012544.db2.gz UOEGZOGIJULQSE-LBPRGKRZSA-N 0 1 227.348 2.055 20 0 BEADMN CCCN1CCCC[C@@H]1c1nc(C)no1 ZINC000335945119 134019561 /nfs/dbraw/zinc/01/95/61/134019561.db2.gz UOOHNLWJDQBQLA-SNVBAGLBSA-N 0 1 209.293 2.315 20 0 BEADMN C1C[C@@H](N2CCOC3(C2)CCCCCC3)CO1 ZINC000335969311 134029108 /nfs/dbraw/zinc/02/91/08/134029108.db2.gz JVWYOYOAUZBMHQ-CYBMUJFWSA-N 0 1 239.359 2.201 20 0 BEADMN O=C(N[C@@H]1CCC[C@@H]1F)c1n[nH]c2ccccc21 ZINC000335988434 134039287 /nfs/dbraw/zinc/03/92/87/134039287.db2.gz DDNBUAOJZIOPFB-GXSJLCMTSA-N 0 1 247.273 2.183 20 0 BEADMN O[C@H]([C@@H]1CCC[N@H+]1CCCCF)C(F)(F)F ZINC000352024466 134040536 /nfs/dbraw/zinc/04/05/36/134040536.db2.gz GYLITQMEEXCFQT-DTWKUNHWSA-N 0 1 243.244 2.124 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2CCCC2)[C@H](C)C1 ZINC000335996033 134041931 /nfs/dbraw/zinc/04/19/31/134041931.db2.gz SYZSITRUFZIMBU-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2(C)CC2)[C@@H](C)C1 ZINC000335995865 134042016 /nfs/dbraw/zinc/04/20/16/134042016.db2.gz BQAKMUULLHBRTO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(Cc2cc[nH]n2)CC(C)(C)C1 ZINC000335996269 134042161 /nfs/dbraw/zinc/04/21/61/134042161.db2.gz MGFOTZYAGXMQGX-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000335999504 134043771 /nfs/dbraw/zinc/04/37/71/134043771.db2.gz CSZBTIWLNPRTDL-RYUDHWBXSA-N 0 1 234.347 2.091 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H]3CCC[C@@H]32)nn1 ZINC000335999999 134044538 /nfs/dbraw/zinc/04/45/38/134044538.db2.gz FMVUTFJWUOPPGS-AAEUAGOBSA-N 0 1 234.347 2.233 20 0 BEADMN Cc1ccncc1CN[C@@H](CO)c1ccsc1 ZINC000352032700 134045274 /nfs/dbraw/zinc/04/52/74/134045274.db2.gz NOTNQJFZQONGHO-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cscc1CNC(=O)c1[nH]nc(C)c1C ZINC000336059535 134067462 /nfs/dbraw/zinc/06/74/62/134067462.db2.gz DSPNLYWBZWWGHJ-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1[C@H](C)C[C@H]1C ZINC000336065737 134070422 /nfs/dbraw/zinc/07/04/22/134070422.db2.gz AFQIYQVNANDNDZ-RKDXNWHRSA-N 0 1 235.331 2.464 20 0 BEADMN Cc1[nH]ncc1CNc1cccc2c1CCO2 ZINC000336072747 134072348 /nfs/dbraw/zinc/07/23/48/134072348.db2.gz DMISOGQCGURXLZ-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H]2CCC(C)(C)C2)[nH]1 ZINC000336075940 134072974 /nfs/dbraw/zinc/07/29/74/134072974.db2.gz CLLMBGRXXYKXQR-JTQLQIEISA-N 0 1 235.331 2.369 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C(C)C ZINC000336076978 134073401 /nfs/dbraw/zinc/07/34/01/134073401.db2.gz OYYCSUCDCCBJTO-UHFFFAOYSA-N 0 1 217.272 2.466 20 0 BEADMN O[C@]1(C2CC2)CCN(Cc2ccc(Cl)o2)C1 ZINC000336107088 134083033 /nfs/dbraw/zinc/08/30/33/134083033.db2.gz YNTXXXNKAWVSJS-GFCCVEGCSA-N 0 1 241.718 2.280 20 0 BEADMN CSc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000336102597 134083935 /nfs/dbraw/zinc/08/39/35/134083935.db2.gz BDTQHGXJLDOPFW-CYBMUJFWSA-N 0 1 249.379 2.365 20 0 BEADMN CC1(C)CC(NCc2nnc3n2CCCCC3)C1 ZINC000336130823 134094111 /nfs/dbraw/zinc/09/41/11/134094111.db2.gz HQVQEMVEWLYNDJ-UHFFFAOYSA-N 0 1 248.374 2.283 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C)(C2CC2)CC1 ZINC000352188908 134097687 /nfs/dbraw/zinc/09/76/87/134097687.db2.gz KFBCLZQMIRPGNW-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)C(C)(C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000336158461 134106787 /nfs/dbraw/zinc/10/67/87/134106787.db2.gz KSRARWXQMUMKSH-RYUDHWBXSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@@H](F)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000336168027 134113725 /nfs/dbraw/zinc/11/37/25/134113725.db2.gz GSIYNXZBOFPNMB-DGCLKSJQSA-N 0 1 245.338 2.004 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nnc2n1CCCC2 ZINC000336212557 134134641 /nfs/dbraw/zinc/13/46/41/134134641.db2.gz WTDKEFBACMXXBE-VXGBXAGGSA-N 0 1 248.374 2.235 20 0 BEADMN Cc1noc(OCc2ccc3nc(C)[nH]c3c2)n1 ZINC000358853342 134192863 /nfs/dbraw/zinc/19/28/63/134192863.db2.gz MCNULPTULKDART-UHFFFAOYSA-N 0 1 244.254 2.142 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000170916060 134255401 /nfs/dbraw/zinc/25/54/01/134255401.db2.gz VPJTUDMCTQRBJQ-ZDUSSCGKSA-N 0 1 248.370 2.342 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)[C@@H](C)C1CCCCC1 ZINC000176680509 134293413 /nfs/dbraw/zinc/29/34/13/134293413.db2.gz VXPKDNDGNAWVMX-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177521073 134298465 /nfs/dbraw/zinc/29/84/65/134298465.db2.gz QGAJKXFRYIXZIY-UTUOFQBUSA-N 0 1 225.332 2.060 20 0 BEADMN COC[C@@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000178473127 134307093 /nfs/dbraw/zinc/30/70/93/134307093.db2.gz QOYMCOOPEZJJLA-KGLIPLIRSA-N 0 1 249.354 2.403 20 0 BEADMN CC(C)n1cc(CN2CCCO[C@@H](C)C2)cn1 ZINC000179399268 134316502 /nfs/dbraw/zinc/31/65/02/134316502.db2.gz RJIYQSMAGSKIBT-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc2c(C)cccn12 ZINC000179370803 134316746 /nfs/dbraw/zinc/31/67/46/134316746.db2.gz SZFANHQEIOZNQK-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCCOC2)cs1 ZINC000221345779 134320049 /nfs/dbraw/zinc/32/00/49/134320049.db2.gz URYBFAYOFUJXDU-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN C[C@@H](c1ccco1)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000180413924 134326928 /nfs/dbraw/zinc/32/69/28/134326928.db2.gz AFLQTQBIJLWMFV-VIFPVBQESA-N 0 1 246.314 2.468 20 0 BEADMN CC[C@H]1CCCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000180404029 134327206 /nfs/dbraw/zinc/32/72/06/134327206.db2.gz RSKUYRRBJGERNP-JTQLQIEISA-N 0 1 234.347 2.304 20 0 BEADMN Clc1cnc(CNC[C@H]2CCCOC2)s1 ZINC000225326374 134354231 /nfs/dbraw/zinc/35/42/31/134354231.db2.gz YITKAQBADMSSRR-MRVPVSSYSA-N 0 1 246.763 2.313 20 0 BEADMN C[C@H](NCc1ncc(Cl)s1)[C@@H]1CCCO1 ZINC000225312517 134354235 /nfs/dbraw/zinc/35/42/35/134354235.db2.gz LMELYFBMVQJGEJ-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@H](O)C(C)(C)NCc1ncc(Cl)s1 ZINC000225377645 134354889 /nfs/dbraw/zinc/35/48/89/134354889.db2.gz CYXRIBGKPARBTL-LURJTMIESA-N 0 1 234.752 2.046 20 0 BEADMN C[C@]1(CNCc2ncc(Cl)s2)CCCO1 ZINC000225365473 134354937 /nfs/dbraw/zinc/35/49/37/134354937.db2.gz RGCBDCKICZIMNS-SNVBAGLBSA-N 0 1 246.763 2.455 20 0 BEADMN Cc1n[nH]cc1CNCc1cc(F)cc(F)c1 ZINC000226388400 134365274 /nfs/dbraw/zinc/36/52/74/134365274.db2.gz RQYUJINKKYPJKX-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN CCOC(=O)[C@H]1CCCN1[C@@H]1C=CCCC1 ZINC000184682856 134368264 /nfs/dbraw/zinc/36/82/64/134368264.db2.gz NVOVPKPRPKHGOC-VXGBXAGGSA-N 0 1 223.316 2.123 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@H](C(C)C)CC1 ZINC000226990460 134371144 /nfs/dbraw/zinc/37/11/44/134371144.db2.gz YRQFYKNPJATLPQ-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cccc(NCC[C@H]2CCOC2)n1 ZINC000227003107 134373179 /nfs/dbraw/zinc/37/31/79/134373179.db2.gz UWLMMIWKLHTSHK-NSHDSACASA-N 0 1 206.289 2.229 20 0 BEADMN Cc1nn(C)cc1CN[C@@H](C)c1cncc(F)c1 ZINC000227772843 134393625 /nfs/dbraw/zinc/39/36/25/134393625.db2.gz LZLDBDKQRMKCGQ-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](NCc1ccncc1)c1cncc(F)c1 ZINC000227772776 134393801 /nfs/dbraw/zinc/39/38/01/134393801.db2.gz PQLSXRBDSZKQBG-JTQLQIEISA-N 0 1 231.274 2.467 20 0 BEADMN C(C[C@@H]1CCCO1)Sc1nc(C2CC2)n[nH]1 ZINC000188907959 134537686 /nfs/dbraw/zinc/53/76/86/134537686.db2.gz XQRGURODDYCDGE-VIFPVBQESA-N 0 1 239.344 2.343 20 0 BEADMN C(C[C@@H]1CCCO1)Sc1n[nH]c(C2CC2)n1 ZINC000188907959 134537687 /nfs/dbraw/zinc/53/76/87/134537687.db2.gz XQRGURODDYCDGE-VIFPVBQESA-N 0 1 239.344 2.343 20 0 BEADMN CCCCN(C/C=C/c1ccccc1)CC(N)=O ZINC000061349442 134797808 /nfs/dbraw/zinc/79/78/08/134797808.db2.gz OFYFDUOGGFIGGL-JXMROGBWSA-N 0 1 246.354 2.287 20 0 BEADMN CC[C@H](N[C@@H](C)COC)c1nccs1 ZINC000070633899 135000498 /nfs/dbraw/zinc/00/04/98/135000498.db2.gz XTTQBIFWLRHIHV-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN CC[C@@H](N[C@H](C)COC)c1nccs1 ZINC000070633902 135001495 /nfs/dbraw/zinc/00/14/95/135001495.db2.gz XTTQBIFWLRHIHV-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN CO[C@H](C)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000248412865 135006859 /nfs/dbraw/zinc/00/68/59/135006859.db2.gz FSLMIGYUBKADSQ-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)no1 ZINC000248423804 135007687 /nfs/dbraw/zinc/00/76/87/135007687.db2.gz NEUGJCBYEDRMDV-MVWJERBFSA-N 0 1 235.331 2.389 20 0 BEADMN CCOC(=O)CCN[C@@H](CC)c1nccs1 ZINC000070732856 135010396 /nfs/dbraw/zinc/01/03/96/135010396.db2.gz YEGRGSCIDHKUAU-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN C[C@@H]1CCCN1Cc1nc(-c2ccoc2)no1 ZINC000076117807 135010629 /nfs/dbraw/zinc/01/06/29/135010629.db2.gz KMODHURGWKMDLM-SECBINFHSA-N 0 1 233.271 2.314 20 0 BEADMN CCc1noc([C@@H](C)N2CCC[C@@H]2C)n1 ZINC000076117310 135011459 /nfs/dbraw/zinc/01/14/59/135011459.db2.gz QEXJBJHWGRGIQZ-DTWKUNHWSA-N 0 1 209.293 2.177 20 0 BEADMN C[C@H]1CCN(Cc2nc3ccccc3o2)[C@H]1CO ZINC000248992521 135030004 /nfs/dbraw/zinc/03/00/04/135030004.db2.gz XIKGCXNUZZQQKO-JQWIXIFHSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000249115663 135033640 /nfs/dbraw/zinc/03/36/40/135033640.db2.gz RQZYUYOFCCZBJS-NWDGAFQWSA-N 0 1 205.301 2.468 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCC1 ZINC000249310679 135042690 /nfs/dbraw/zinc/04/26/90/135042690.db2.gz LUQOKKWIPNCUBN-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000249711315 135043440 /nfs/dbraw/zinc/04/34/40/135043440.db2.gz YKRJBGAXSGVGQZ-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc(C(=O)CN2C[C@H](C)[C@H](C)C2)c(C)[nH]1 ZINC000072869808 135044185 /nfs/dbraw/zinc/04/41/85/135044185.db2.gz JQHXJYHMDONGKN-AOOOYVTPSA-N 0 1 234.343 2.402 20 0 BEADMN Cc1cc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000250962767 135061357 /nfs/dbraw/zinc/06/13/57/135061357.db2.gz LMDVFOYLLCATNR-DOFRTFSJSA-N 0 1 224.304 2.029 20 0 BEADMN Cc1cscc1CNCc1cnn(C)c1 ZINC000087309237 135121667 /nfs/dbraw/zinc/12/16/67/135121667.db2.gz WFQITHVACIZBBM-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CN(C/C=C\c1ccc(F)cc1)Cc1nnc[nH]1 ZINC000255430258 135129722 /nfs/dbraw/zinc/12/97/22/135129722.db2.gz GUYWKXWRLAEZMF-IHWYPQMZSA-N 0 1 246.289 2.089 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC1CCCC1)C(=O)[O-] ZINC000258787145 135133977 /nfs/dbraw/zinc/13/39/77/135133977.db2.gz CAUWPKLINYREBS-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN NC1(c2nc(CC3CC3)no2)CCCCC1 ZINC000087580333 135156609 /nfs/dbraw/zinc/15/66/09/135156609.db2.gz OSHDQHTUPLRQLB-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN CC1(C)CCCN(Cc2nccc(N)n2)CC1 ZINC000269682563 135166018 /nfs/dbraw/zinc/16/60/18/135166018.db2.gz FOMUNKWYOFCGMT-UHFFFAOYSA-N 0 1 234.347 2.071 20 0 BEADMN CS[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261538994 135177277 /nfs/dbraw/zinc/17/72/77/135177277.db2.gz BHQOZBFXXCODJA-SSDOTTSWSA-N 0 1 227.333 2.222 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)CSC ZINC000297581176 135196698 /nfs/dbraw/zinc/19/66/98/135196698.db2.gz HDLIMUIAYKGZOJ-UWVGGRQHSA-N 0 1 227.377 2.305 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)CCC2CC2)cc1 ZINC000261558248 135199063 /nfs/dbraw/zinc/19/90/63/135199063.db2.gz DCDWTJHRBSKRGJ-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000084347316 135210603 /nfs/dbraw/zinc/21/06/03/135210603.db2.gz NYDTWRPXVCUGLT-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)CCCCC(=O)[O-] ZINC000164129133 135212885 /nfs/dbraw/zinc/21/28/85/135212885.db2.gz SXHJCAWAPLKRRZ-JTQLQIEISA-N 0 1 233.377 2.315 20 0 BEADMN CCC[C@](C)(CO)NCc1csc(CC)n1 ZINC000164369294 135223910 /nfs/dbraw/zinc/22/39/10/135223910.db2.gz QFQRQODCZBTHHT-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1ccc([C@H]2CCC[N@H+]2CC(=O)[O-])cc1 ZINC000261587955 135228598 /nfs/dbraw/zinc/22/85/98/135228598.db2.gz RZXOFZXDLYKRTM-GFCCVEGCSA-N 0 1 219.284 2.217 20 0 BEADMN CC(C)=C(F)c1nc(C2(N)CCC2)no1 ZINC000261592007 135232937 /nfs/dbraw/zinc/23/29/37/135232937.db2.gz VQNYJNTUTZFQBW-UHFFFAOYSA-N 0 1 211.240 2.128 20 0 BEADMN NC1(c2noc(-c3ccc(F)cc3)n2)CCC1 ZINC000261701648 135247072 /nfs/dbraw/zinc/24/70/72/135247072.db2.gz IAXOCQBDVKIADZ-UHFFFAOYSA-N 0 1 233.246 2.214 20 0 BEADMN NC1(c2noc(C3CCCCC3)n2)CCC1 ZINC000261745827 135249148 /nfs/dbraw/zinc/24/91/48/135249148.db2.gz BUEMGJQIXVHHMV-UHFFFAOYSA-N 0 1 221.304 2.455 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)n1C ZINC000261773065 135252065 /nfs/dbraw/zinc/25/20/65/135252065.db2.gz NHIUPLJIXFWDHF-UHFFFAOYSA-N 0 1 246.314 2.112 20 0 BEADMN CCCC[C@H](Nc1cccc(C)[nH+]1)C(=O)[O-] ZINC000261829232 135256301 /nfs/dbraw/zinc/25/63/01/135256301.db2.gz SWWKZAYVSNNONC-JTQLQIEISA-N 0 1 222.288 2.445 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000342347213 135260602 /nfs/dbraw/zinc/26/06/02/135260602.db2.gz NJNZMEWQEXMEEY-VIFPVBQESA-N 0 1 235.331 2.405 20 0 BEADMN Fc1ccc(-c2noc([C@H]3CCN3)n2)cc1F ZINC000261899147 135261027 /nfs/dbraw/zinc/26/10/27/135261027.db2.gz YKTNZKWNRJFGJZ-SECBINFHSA-N 0 1 237.209 2.049 20 0 BEADMN C[C@@H](c1nc(C2(N)CCC2)no1)C(F)(F)F ZINC000262005034 135271698 /nfs/dbraw/zinc/27/16/98/135271698.db2.gz ULWBUNVRZAFNHC-YFKPBYRVSA-N 0 1 235.209 2.073 20 0 BEADMN Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000262155946 135282563 /nfs/dbraw/zinc/28/25/63/135282563.db2.gz AKZQCFCLRSDNTE-ZDUSSCGKSA-N 0 1 233.311 2.087 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000262254960 135288180 /nfs/dbraw/zinc/28/81/80/135288180.db2.gz QEDBZOBOBBZUOE-CYBMUJFWSA-N 0 1 233.311 2.026 20 0 BEADMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262264816 135288901 /nfs/dbraw/zinc/28/89/01/135288901.db2.gz RTXUFXZQBJDKTH-LLVKDONJSA-N 0 1 233.311 2.433 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)N2CCN[C@@H](C)C2)C1 ZINC000262604083 135308146 /nfs/dbraw/zinc/30/81/46/135308146.db2.gz RJEQVFQBZHBRBH-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc2ccc(CS[C@@H](C)CO)cc2[nH]1 ZINC000342662991 135308377 /nfs/dbraw/zinc/30/83/77/135308377.db2.gz MOSGBJHDRVHHDN-QMMMGPOBSA-N 0 1 236.340 2.485 20 0 BEADMN COC(=O)CN(C)C[C@H](C)CCc1ccccc1 ZINC000342715103 135313556 /nfs/dbraw/zinc/31/35/56/135313556.db2.gz KXZZOMJTRBQJRM-CYBMUJFWSA-N 0 1 249.354 2.360 20 0 BEADMN COC(=O)CN(C)C[C@@H](C)CCc1ccccc1 ZINC000342715104 135313661 /nfs/dbraw/zinc/31/36/61/135313661.db2.gz KXZZOMJTRBQJRM-ZDUSSCGKSA-N 0 1 249.354 2.360 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1F ZINC000262740420 135316589 /nfs/dbraw/zinc/31/65/89/135316589.db2.gz AGXSSTQTYOMTAI-LLVKDONJSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2C)n1C ZINC000342793697 135319715 /nfs/dbraw/zinc/31/97/15/135319715.db2.gz SBNBDELFCLFRTE-JTQLQIEISA-N 0 1 207.321 2.103 20 0 BEADMN Cc1cnc(CN(C)[C@@H](C)C2(C)CC2)n1C ZINC000342798395 135320480 /nfs/dbraw/zinc/32/04/80/135320480.db2.gz IYTAVMZWSVNEKE-NSHDSACASA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)[C@@H]2C)n1C ZINC000342775393 135327688 /nfs/dbraw/zinc/32/76/88/135327688.db2.gz FNRLIIGGNULFQH-PWSUYJOCSA-N 0 1 221.348 2.349 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(C)(C)C)C1 ZINC000263054426 135330102 /nfs/dbraw/zinc/33/01/02/135330102.db2.gz LHTUUNWHXXINNE-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1cnc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000334227170 135330637 /nfs/dbraw/zinc/33/06/37/135330637.db2.gz BEYGXWSVZXGFPO-QWRGUYRKSA-N 0 1 206.289 2.357 20 0 BEADMN C[C@@H]1[C@@H](C)[S@](=O)CCN1CC1CCCC1 ZINC000342936337 135336898 /nfs/dbraw/zinc/33/68/98/135336898.db2.gz UNTJPYASPGVRFV-UEKVPHQBSA-N 0 1 229.389 2.018 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1cccc2[nH]ccc21 ZINC000334287547 135340259 /nfs/dbraw/zinc/34/02/59/135340259.db2.gz HRULBZDVWMQEJH-RYUDHWBXSA-N 0 1 248.301 2.073 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263356550 135348638 /nfs/dbraw/zinc/34/86/38/135348638.db2.gz RWTRRNAADHGGAH-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263356548 135349236 /nfs/dbraw/zinc/34/92/36/135349236.db2.gz RWTRRNAADHGGAH-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCCC2)C1 ZINC000263371652 135349768 /nfs/dbraw/zinc/34/97/68/135349768.db2.gz VNYHUZRUEQOZFI-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])CCCNc1cc[nH+]cc1Cl ZINC000263381909 135350737 /nfs/dbraw/zinc/35/07/37/135350737.db2.gz CUHKATBLNGWVSO-UHFFFAOYSA-N 0 1 214.652 2.012 20 0 BEADMN Cc1scc(C(=O)NCc2cnc[nH]2)c1C ZINC000334310021 135351081 /nfs/dbraw/zinc/35/10/81/135351081.db2.gz IWRSQCLDWPPLPQ-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263430417 135353484 /nfs/dbraw/zinc/35/34/84/135353484.db2.gz RWTRRNAADHGGAH-TUAOUCFPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263430410 135353751 /nfs/dbraw/zinc/35/37/51/135353751.db2.gz RWTRRNAADHGGAH-SRVKXCTJSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)CC[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263483111 135356808 /nfs/dbraw/zinc/35/68/08/135356808.db2.gz GSOCFXCCQUHCJY-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263528502 135358120 /nfs/dbraw/zinc/35/81/20/135358120.db2.gz VHKLKHNIYRWKOH-KVSVUVNWSA-N 0 1 237.343 2.360 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000263579904 135361377 /nfs/dbraw/zinc/36/13/77/135361377.db2.gz VIQQVEXYWDIIPG-LLVKDONJSA-N 0 1 245.322 2.397 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2CCC2)C[C@H]1C ZINC000334335710 135362808 /nfs/dbraw/zinc/36/28/08/135362808.db2.gz QYQVIHISMKEHIY-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN OC[C@@]1(F)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000334348710 135368087 /nfs/dbraw/zinc/36/80/87/135368087.db2.gz TYCPUOMRAVJQMY-OAHLLOKOSA-N 0 1 249.329 2.082 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000334356984 135371859 /nfs/dbraw/zinc/37/18/59/135371859.db2.gz ORPASBLSXZSXMK-PSASIEDQSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@@H](N[C@H]1CCCSC1)c1ccon1 ZINC000306760225 135377921 /nfs/dbraw/zinc/37/79/21/135377921.db2.gz QVLBPZGONUGNNQ-BDAKNGLRSA-N 0 1 212.318 2.221 20 0 BEADMN Cc1nccc(N2CCO[C@H](C)C2)c1Cl ZINC000334380968 135378658 /nfs/dbraw/zinc/37/86/58/135378658.db2.gz DXSMOQNGAVCRQJ-MRVPVSSYSA-N 0 1 226.707 2.269 20 0 BEADMN Cc1c[nH]nc1CN1CCC([C@H]2CCCO2)CC1 ZINC000334386887 135382649 /nfs/dbraw/zinc/38/26/49/135382649.db2.gz OJJXGKLOGXWRFH-CQSZACIVSA-N 0 1 249.358 2.109 20 0 BEADMN C[C@H](C[N@H+]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000334411244 135395846 /nfs/dbraw/zinc/39/58/46/135395846.db2.gz LAQLKVMVUUSGEE-KGLIPLIRSA-N 0 1 232.371 2.426 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000334399315 135399894 /nfs/dbraw/zinc/39/98/94/135399894.db2.gz DTUJTPCGNSILJK-UKRRQHHQSA-N 0 1 246.354 2.335 20 0 BEADMN COCCC(C)(C)NCc1cscn1 ZINC000308594479 135424744 /nfs/dbraw/zinc/42/47/44/135424744.db2.gz LWXOCUROVBPBSN-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN Cc1nc(CNCCc2cscn2)cs1 ZINC000082626186 135440313 /nfs/dbraw/zinc/44/03/13/135440313.db2.gz JSCGWRVVIZDXPM-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN Cc1[nH]ncc1CNC(=O)N[C@]1(C)CC=CCC1 ZINC000334555334 135695193 /nfs/dbraw/zinc/69/51/93/135695193.db2.gz YPDPUMZLSGUBNS-CYBMUJFWSA-N 0 1 248.330 2.016 20 0 BEADMN CC1CN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000334622531 135794503 /nfs/dbraw/zinc/79/45/03/135794503.db2.gz TUZQXDRWYHJGJK-UHFFFAOYSA-N 0 1 231.343 2.134 20 0 BEADMN C[C@H]1CC[C@H](c2nc(C3(N)CCC3)no2)C1 ZINC000334851978 135823446 /nfs/dbraw/zinc/82/34/46/135823446.db2.gz DOVBXVSROWKGCO-IUCAKERBSA-N 0 1 221.304 2.311 20 0 BEADMN C[C@H](N[C@H]1CCOC1(C)C)c1cc2n(n1)CCC2 ZINC000334882444 135848338 /nfs/dbraw/zinc/84/83/38/135848338.db2.gz KEUQQKUDQKLVKA-GWCFXTLKSA-N 0 1 249.358 2.047 20 0 BEADMN CCc1ccc([C@H](C)N[C@H]2C=C[C@H](CO)C2)o1 ZINC000345049918 135876426 /nfs/dbraw/zinc/87/64/26/135876426.db2.gz HMKSJXNUBGGHIQ-SRVKXCTJSA-N 0 1 235.327 2.430 20 0 BEADMN C[C@H]1N(CCc2cccnc2)CCOC1(C)C ZINC000335295913 136006226 /nfs/dbraw/zinc/00/62/26/136006226.db2.gz FLPJFYRRGZKSDV-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CCN(C)CC[N@@H+]1Cc1ccsc1 ZINC000335315305 136024374 /nfs/dbraw/zinc/02/43/74/136024374.db2.gz OIOJJGPCMGGYMZ-LLVKDONJSA-N 0 1 224.373 2.274 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)NCCN1CCC1 ZINC000348038021 136028672 /nfs/dbraw/zinc/02/86/72/136028672.db2.gz JLJKVYUREQTXSD-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@@H]1CN(C)CC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000335311730 136030333 /nfs/dbraw/zinc/03/03/33/136030333.db2.gz VPQFVMXWULQMOE-NEPJUHHUSA-N 0 1 246.345 2.448 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)CC12CCC2 ZINC000335313917 136031700 /nfs/dbraw/zinc/03/17/00/136031700.db2.gz YRDKZHWOHVYXAU-SNVBAGLBSA-N 0 1 233.315 2.062 20 0 BEADMN CCSCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000348180919 136043557 /nfs/dbraw/zinc/04/35/57/136043557.db2.gz IYWIAKQYQLYILH-LLVKDONJSA-N 0 1 225.361 2.300 20 0 BEADMN Cc1nc(CN2CC[C@H]2c2ccccc2)n[nH]1 ZINC000335337563 136044772 /nfs/dbraw/zinc/04/47/72/136044772.db2.gz WRBYGHFKJAUTQB-LBPRGKRZSA-N 0 1 228.299 2.060 20 0 BEADMN CC[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335339697 136045754 /nfs/dbraw/zinc/04/57/54/136045754.db2.gz WWIKUFUZGFWFEM-QWRGUYRKSA-N 0 1 247.342 2.231 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cn(C(C)C)nn1 ZINC000348191984 136049149 /nfs/dbraw/zinc/04/91/49/136049149.db2.gz IQRSTCBJYWJELB-DGCLKSJQSA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1CC[C@H](CN2C[C@@H](C)O[C@@H](C3CC3)C2)O1 ZINC000348206873 136054493 /nfs/dbraw/zinc/05/44/93/136054493.db2.gz SEKYXCDSDYWVDO-HBJVGIJOSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1ccc(F)c(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000335333945 136055010 /nfs/dbraw/zinc/05/50/10/136055010.db2.gz QCLSXMNTOZAILS-ZDUSSCGKSA-N 0 1 235.302 2.091 20 0 BEADMN CC1=C[C@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000335335924 136055713 /nfs/dbraw/zinc/05/57/13/136055713.db2.gz QIOVMPVIYACVHJ-VIFPVBQESA-N 0 1 245.326 2.325 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348238741 136061118 /nfs/dbraw/zinc/06/11/18/136061118.db2.gz ZFPVYRYCEDHGTE-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCCC2(C)C)[nH]1 ZINC000335340884 136063720 /nfs/dbraw/zinc/06/37/20/136063720.db2.gz SDZWWSBLCVAUKT-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCCC2(C)C)n1 ZINC000335340884 136063721 /nfs/dbraw/zinc/06/37/21/136063721.db2.gz SDZWWSBLCVAUKT-QMMMGPOBSA-N 0 1 236.319 2.132 20 0 BEADMN CC[C@H]1CC[C@@H]1NCc1ncnn1C(C)(C)C ZINC000348330139 136074711 /nfs/dbraw/zinc/07/47/11/136074711.db2.gz HMTCFIXDQYPKML-QWRGUYRKSA-N 0 1 236.363 2.311 20 0 BEADMN CC(C)n1cc(CN(C)[C@@H]2CC[C@@H](C)C2)nn1 ZINC000348408992 136077026 /nfs/dbraw/zinc/07/70/26/136077026.db2.gz MIOMWASZFPPSBF-DGCLKSJQSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@]2(C)CC=CCC2)c1C ZINC000335362103 136081192 /nfs/dbraw/zinc/08/11/92/136081192.db2.gz ZPBIMOOEZRKLAS-ZDUSSCGKSA-N 0 1 233.315 2.255 20 0 BEADMN Cc1cnc(CCN2CC[C@H](F)C2)c(C)c1 ZINC000335366964 136082249 /nfs/dbraw/zinc/08/22/49/136082249.db2.gz PIKSSIONFIMYPR-LBPRGKRZSA-N 0 1 222.307 2.285 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335387420 136089465 /nfs/dbraw/zinc/08/94/65/136089465.db2.gz BFJDJMYPERRBBW-JQWIXIFHSA-N 0 1 246.358 2.447 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000335387420 136089466 /nfs/dbraw/zinc/08/94/66/136089466.db2.gz BFJDJMYPERRBBW-JQWIXIFHSA-N 0 1 246.358 2.447 20 0 BEADMN CCc1ncc(CN2[C@H](C)C[C@H]2C)cn1 ZINC000335392532 136091214 /nfs/dbraw/zinc/09/12/14/136091214.db2.gz JSEXXVUHYVKRGY-NXEZZACHSA-N 0 1 205.305 2.022 20 0 BEADMN CCc1ncc(CN2[C@@H](C)C[C@@H]2C)cn1 ZINC000335392533 136091358 /nfs/dbraw/zinc/09/13/58/136091358.db2.gz JSEXXVUHYVKRGY-UWVGGRQHSA-N 0 1 205.305 2.022 20 0 BEADMN C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)[C@H](C)C1 ZINC000335551035 136098007 /nfs/dbraw/zinc/09/80/07/136098007.db2.gz ZEUHXSFRFXEBLW-GHMZBOCLSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1nccc(N2CC[C@H](C)[C@@H]2CO)c1Cl ZINC000335557878 136100090 /nfs/dbraw/zinc/10/00/90/136100090.db2.gz GJLLLOPUPGZSSM-KWQFWETISA-N 0 1 240.734 2.251 20 0 BEADMN Cc1cncc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000335584010 136101470 /nfs/dbraw/zinc/10/14/70/136101470.db2.gz NLMOECYGWCLCIA-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)n(C)n1 ZINC000335594933 136104336 /nfs/dbraw/zinc/10/43/36/136104336.db2.gz IPSOULRNQYNNRS-CYBMUJFWSA-N 0 1 233.359 2.349 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2cnns2)C1 ZINC000335569867 136109172 /nfs/dbraw/zinc/10/91/72/136109172.db2.gz JVPGSOOCYQOHFP-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN CCC1CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000335571222 136109682 /nfs/dbraw/zinc/10/96/82/136109682.db2.gz MVYVSQFZECQIML-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c[nH]1 ZINC000335578116 136111426 /nfs/dbraw/zinc/11/14/26/136111426.db2.gz CIZPWFHWEOTQTE-LBPRGKRZSA-N 0 1 237.372 2.129 20 0 BEADMN c1nc(C[N@H+]2CCC[C@]3(CCSC3)C2)c[nH]1 ZINC000335578116 136111427 /nfs/dbraw/zinc/11/14/27/136111427.db2.gz CIZPWFHWEOTQTE-LBPRGKRZSA-N 0 1 237.372 2.129 20 0 BEADMN c1nc(CN2CCC[C@]3(CCSC3)C2)c[nH]1 ZINC000335578116 136111428 /nfs/dbraw/zinc/11/14/28/136111428.db2.gz CIZPWFHWEOTQTE-LBPRGKRZSA-N 0 1 237.372 2.129 20 0 BEADMN c1nc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c[nH]1 ZINC000335578115 136111598 /nfs/dbraw/zinc/11/15/98/136111598.db2.gz CIZPWFHWEOTQTE-GFCCVEGCSA-N 0 1 237.372 2.129 20 0 BEADMN c1nc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c[nH]1 ZINC000335578115 136111599 /nfs/dbraw/zinc/11/15/99/136111599.db2.gz CIZPWFHWEOTQTE-GFCCVEGCSA-N 0 1 237.372 2.129 20 0 BEADMN c1nc(CN2CCC[C@@]3(CCSC3)C2)c[nH]1 ZINC000335578115 136111600 /nfs/dbraw/zinc/11/16/00/136111600.db2.gz CIZPWFHWEOTQTE-GFCCVEGCSA-N 0 1 237.372 2.129 20 0 BEADMN C[C@H](O)CCN1CCc2ccc(Cl)cc2C1 ZINC000335582159 136113107 /nfs/dbraw/zinc/11/31/07/136113107.db2.gz PKKMMFZUFJMQEM-JTQLQIEISA-N 0 1 239.746 2.469 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001646379168 1172736435 /nfs/dbraw/zinc/73/64/35/1172736435.db2.gz LXNDUNWIQGJGEX-VXGBXAGGSA-N 0 1 240.391 2.125 20 0 BEADMN COC1CN(C[C@H]2CCc3ccccc3C2)C1 ZINC001647047034 1172755378 /nfs/dbraw/zinc/75/53/78/1172755378.db2.gz SFUJZBYDYHJSKP-LBPRGKRZSA-N 0 1 231.339 2.122 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)C(C)C)n[nH]1 ZINC001647860678 1172773840 /nfs/dbraw/zinc/77/38/40/1172773840.db2.gz YHKHARJHVJRGSS-GFCCVEGCSA-N 0 1 235.331 2.428 20 0 BEADMN Cc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1 ZINC000155532761 397753283 /nfs/dbraw/zinc/75/32/83/397753283.db2.gz IGYWIRZCFGOVPI-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN CCC(CC)(CC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000644087164 397754211 /nfs/dbraw/zinc/75/42/11/397754211.db2.gz GLWGDJKNDUYKHX-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1cc2[nH]cnc2cc1F ZINC000332787474 397767603 /nfs/dbraw/zinc/76/76/03/397767603.db2.gz FVEMJIBKADSELJ-YUMQZZPRSA-N 0 1 247.273 2.088 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H]1C=CCC1 ZINC000636065496 397742107 /nfs/dbraw/zinc/74/21/07/397742107.db2.gz XSEFQTGQZSPGOE-NSHDSACASA-N 0 1 233.315 2.033 20 0 BEADMN O=C(CCc1cnc[nH]1)NC1(C2CCC2)CCC1 ZINC000570414401 397744640 /nfs/dbraw/zinc/74/46/40/397744640.db2.gz QWOJMYNCTMCPEM-UHFFFAOYSA-N 0 1 247.342 2.181 20 0 BEADMN CC[C@@H](N[C@@H](CC)C1CCCC1)C(=O)OC ZINC000387703591 397857089 /nfs/dbraw/zinc/85/70/89/397857089.db2.gz XSEDKHDSAWDTGB-NWDGAFQWSA-N 0 1 227.348 2.496 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2CCO)s1 ZINC000180472503 397857719 /nfs/dbraw/zinc/85/77/19/397857719.db2.gz SSIJZDROQGFWMW-NSHDSACASA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@@H](C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000264992170 397930596 /nfs/dbraw/zinc/93/05/96/397930596.db2.gz KKMPNGWJMVRGNP-SECBINFHSA-N 0 1 244.298 2.456 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cc3n(n2)CCCC3)C1 ZINC000649539550 397933479 /nfs/dbraw/zinc/93/34/79/397933479.db2.gz ZDBGCOWMQRCUKK-RYUDHWBXSA-N 0 1 233.359 2.450 20 0 BEADMN Cc1occc1C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000414425120 397935102 /nfs/dbraw/zinc/93/51/02/397935102.db2.gz DXTABULSVPMPES-CQSZACIVSA-N 0 1 236.359 2.360 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cnc[nH]1 ZINC000266301168 397935927 /nfs/dbraw/zinc/93/59/27/397935927.db2.gz CWYGKVSTWRGDCW-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1cc(C)nc(SCc2c[nH]nn2)c1 ZINC000649544783 397936570 /nfs/dbraw/zinc/93/65/70/397936570.db2.gz VGNXLIGMINMAGB-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CC(C)CCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650145188 397942884 /nfs/dbraw/zinc/94/28/84/397942884.db2.gz GRYUODDGEFHHOB-AGIUHOORSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)C1CCCC1 ZINC000650145019 397943279 /nfs/dbraw/zinc/94/32/79/397943279.db2.gz CZSQZUQYHKSGSA-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650145280 397943838 /nfs/dbraw/zinc/94/38/38/397943838.db2.gz IJAGOAVSQPYFEH-IJLUTSLNSA-N 0 1 226.364 2.116 20 0 BEADMN C[C@@H](N[C@H](CO)c1c(F)cccc1F)C1CC1 ZINC000267268803 397945327 /nfs/dbraw/zinc/94/53/27/397945327.db2.gz RXCLNCQSVLMMRV-PRHODGIISA-N 0 1 241.281 2.386 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000650154262 397946175 /nfs/dbraw/zinc/94/61/75/397946175.db2.gz HORUPHAJKBNMIB-QNWHQSFQSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](C)CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650154262 397946178 /nfs/dbraw/zinc/94/61/78/397946178.db2.gz HORUPHAJKBNMIB-QNWHQSFQSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CC2(C)CC2)[C@@H](C)C[N@H+]1C ZINC000650154562 397946236 /nfs/dbraw/zinc/94/62/36/397946236.db2.gz MUKOXGCOOVSWKF-TUAOUCFPSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CC2(C)CC2)[C@@H](C)CN1C ZINC000650154562 397946240 /nfs/dbraw/zinc/94/62/40/397946240.db2.gz MUKOXGCOOVSWKF-TUAOUCFPSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1nnsc1C[N@H+](CC1CC1)C(C)C ZINC000649554230 397947019 /nfs/dbraw/zinc/94/70/19/397947019.db2.gz TVXZFLJPDBZJOZ-UHFFFAOYSA-N 0 1 225.361 2.467 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)CC2(C)C)n1 ZINC000268218222 397950679 /nfs/dbraw/zinc/95/06/79/397950679.db2.gz LQEAWUMWQRCULU-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)CC2(C)C)n1 ZINC000268218222 397950684 /nfs/dbraw/zinc/95/06/84/397950684.db2.gz LQEAWUMWQRCULU-SNVBAGLBSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cccnc1 ZINC000192246437 397893046 /nfs/dbraw/zinc/89/30/46/397893046.db2.gz KCFLQYRDZGNDQA-MNOVXSKESA-N 0 1 230.315 2.227 20 0 BEADMN C[C@H](N[C@@H](C)c1cccnc1)c1ccnn1C ZINC000192246434 397893082 /nfs/dbraw/zinc/89/30/82/397893082.db2.gz KCFLQYRDZGNDQA-QWRGUYRKSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC1CCCCC1 ZINC000076816727 397964124 /nfs/dbraw/zinc/96/41/24/397964124.db2.gz RZNLBOHDNGWEAI-XHBSWPGZSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C)s1 ZINC000334433327 397921990 /nfs/dbraw/zinc/92/19/90/397921990.db2.gz MHDOPJRALAGNPF-SNVBAGLBSA-N 0 1 224.373 2.192 20 0 BEADMN CC[C@H](COC)Nc1cc2c(cn1)CCC2 ZINC000354535587 397995023 /nfs/dbraw/zinc/99/50/23/397995023.db2.gz HQVKZIGBSZHTLV-GFCCVEGCSA-N 0 1 220.316 2.407 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000273563334 397998133 /nfs/dbraw/zinc/99/81/33/397998133.db2.gz FYCZZPINGYANQI-QMMMGPOBSA-N 0 1 234.303 2.057 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000273563334 397998134 /nfs/dbraw/zinc/99/81/34/397998134.db2.gz FYCZZPINGYANQI-QMMMGPOBSA-N 0 1 234.303 2.057 20 0 BEADMN CC[C@H](NCC(=O)NC)c1ccc(Cl)s1 ZINC000166399098 398002950 /nfs/dbraw/zinc/00/29/50/398002950.db2.gz UEOXJEXWWSJMGG-ZETCQYMHSA-N 0 1 246.763 2.188 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)C1CC(C)(C)C1 ZINC000649627800 398009017 /nfs/dbraw/zinc/00/90/17/398009017.db2.gz VZUBMXINXNHGDM-UHFFFAOYSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649630135 398010803 /nfs/dbraw/zinc/01/08/03/398010803.db2.gz DDHJNQHEPHUHSG-NSHDSACASA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1cc2n(n1)CCC2 ZINC000649630135 398010806 /nfs/dbraw/zinc/01/08/06/398010806.db2.gz DDHJNQHEPHUHSG-NSHDSACASA-N 0 1 233.359 2.450 20 0 BEADMN Cc1cnn(C)c1CN1CCSC(C)(C)C1 ZINC000290121566 398010914 /nfs/dbraw/zinc/01/09/14/398010914.db2.gz UFVZHWSZVPKWHA-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000054053202 398019555 /nfs/dbraw/zinc/01/95/55/398019555.db2.gz YTKSABQYECUASN-MRVPVSSYSA-N 0 1 233.271 2.026 20 0 BEADMN Cc1cnc(CNCC2CC(F)(F)C2)o1 ZINC000383477886 398021113 /nfs/dbraw/zinc/02/11/13/398021113.db2.gz DIRLSEDSWDZSRL-UHFFFAOYSA-N 0 1 216.231 2.118 20 0 BEADMN COc1coc(CN2CCC23CCCC3)cc1=O ZINC000649657352 398024211 /nfs/dbraw/zinc/02/42/11/398024211.db2.gz WXMXOQZQSQIOJK-UHFFFAOYSA-N 0 1 249.310 2.167 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1CCC12CCCC2 ZINC000649658302 398026815 /nfs/dbraw/zinc/02/68/15/398026815.db2.gz GOBGYEWTCGXURQ-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649587970 397971894 /nfs/dbraw/zinc/97/18/94/397971894.db2.gz XSZQNSWQEPGLGQ-LBPRGKRZSA-N 0 1 233.359 2.451 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)c(C)n1C ZINC000647148319 398092981 /nfs/dbraw/zinc/09/29/81/398092981.db2.gz LTLAWGWGWKRQCK-NSHDSACASA-N 0 1 246.314 2.116 20 0 BEADMN Cc1ccc(CCc2nc([C@@H]3CCCN3)no2)o1 ZINC000647148327 398093165 /nfs/dbraw/zinc/09/31/65/398093165.db2.gz LUWSKGUPMZSFBR-NSHDSACASA-N 0 1 247.298 2.181 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2)[C@H](C)CO1 ZINC000649730469 398069342 /nfs/dbraw/zinc/06/93/42/398069342.db2.gz RVSJZAMAXJQWJU-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)[C@@H](C)CO1 ZINC000649734810 398070191 /nfs/dbraw/zinc/07/01/91/398070191.db2.gz ATBYCHFOPZZWES-XQQFMLRXSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@H]1CN(CCOCC(C)C)[C@H](C)CO1 ZINC000649737175 398075759 /nfs/dbraw/zinc/07/57/59/398075759.db2.gz SMEWYXCTXRKOTC-OLZOCXBDSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CN(CCc2cccnc2)[C@@H](C)CO1 ZINC000649735031 398076080 /nfs/dbraw/zinc/07/60/80/398076080.db2.gz DWANDDSHQVSTQN-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1C[C@@H](NC(=O)/C=C/C(C)(C)C)CC[N@H+]1C ZINC000491904268 398076749 /nfs/dbraw/zinc/07/67/49/398076749.db2.gz KWGAWOFVTUCVGX-OWVOXGNYSA-N 0 1 238.375 2.188 20 0 BEADMN CC[C@H]1CN(CCOC2CCC2)[C@@H](C)CO1 ZINC000649736782 398078506 /nfs/dbraw/zinc/07/85/06/398078506.db2.gz JBDNDIWLIQDTOI-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN Cn1ccc(CN2CCC3(CC3(F)F)CC2)n1 ZINC000649772968 398095161 /nfs/dbraw/zinc/09/51/61/398095161.db2.gz DQAJNGFPBKOZOT-UHFFFAOYSA-N 0 1 241.285 2.041 20 0 BEADMN CC[N@@H+](Cc1cncc(C)c1)[C@H]1CCCOC1 ZINC000649755601 398086372 /nfs/dbraw/zinc/08/63/72/398086372.db2.gz RXDHWDGXXSPCCH-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN Fc1ccc(SCCc2c[nH]nn2)c(F)c1 ZINC000517668271 398087544 /nfs/dbraw/zinc/08/75/44/398087544.db2.gz GRHCFTOANIRAAX-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN C[C@@H](O)CN(C)[C@H](C)c1nc2ccccc2o1 ZINC000291119917 398089628 /nfs/dbraw/zinc/08/96/28/398089628.db2.gz ATLPEQMPDMPFPY-NXEZZACHSA-N 0 1 234.299 2.201 20 0 BEADMN CC(C)O[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000649703080 398051015 /nfs/dbraw/zinc/05/10/15/398051015.db2.gz TXJIOASALJVQKA-CHWSQXEVSA-N 0 1 249.358 2.427 20 0 BEADMN O=C(c1cnc[nH]1)N(CC1CC1)CC1CCC1 ZINC000280193387 398054526 /nfs/dbraw/zinc/05/45/26/398054526.db2.gz WLFNJFDZJWLGFY-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H]1OCC[C@@]12CN(Cc1ccccc1)CCO2 ZINC000280515999 398056229 /nfs/dbraw/zinc/05/62/29/398056229.db2.gz ROWYRTZUOFIPLL-DZGCQCFKSA-N 0 1 247.338 2.066 20 0 BEADMN CC(C)n1cncc1CN1CCCOC[C@@H]1C ZINC000644901196 398092077 /nfs/dbraw/zinc/09/20/77/398092077.db2.gz CEDOHYYGQRZSDP-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1oncc1C[N@H+]1CCCC2(CC2)C1 ZINC000189588514 398058399 /nfs/dbraw/zinc/05/83/99/398058399.db2.gz GLLPDNPAEZGECN-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN CCc1ccc(CN[C@H](C)Cn2cccn2)o1 ZINC000051724111 398058776 /nfs/dbraw/zinc/05/87/76/398058776.db2.gz ABACQGWNYPZTBB-LLVKDONJSA-N 0 1 233.315 2.217 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCNC[C@@H]1C(C)C ZINC000638489977 398099758 /nfs/dbraw/zinc/09/97/58/398099758.db2.gz RUUZGXRPJBRZHF-RWMBFGLXSA-N 0 1 240.391 2.125 20 0 BEADMN CC(C)[C@H]1CCCCN1Cc1ncccn1 ZINC000192030343 398104088 /nfs/dbraw/zinc/10/40/88/398104088.db2.gz YMZPZBZFNMQLSO-GFCCVEGCSA-N 0 1 219.332 2.487 20 0 BEADMN CC(C)[C@H](O)CN(C)Cc1cc(Cl)cn1C ZINC000292503489 398104451 /nfs/dbraw/zinc/10/44/51/398104451.db2.gz CMEYZUZIZYBTMQ-GFCCVEGCSA-N 0 1 244.766 2.127 20 0 BEADMN CC(C)[C@@H](O)CN(C)Cc1cc(Cl)cn1C ZINC000292503490 398104575 /nfs/dbraw/zinc/10/45/75/398104575.db2.gz CMEYZUZIZYBTMQ-LBPRGKRZSA-N 0 1 244.766 2.127 20 0 BEADMN CC(C)(C)n1ncnc1CNC1(C2CCC2)CC1 ZINC000649811043 398117805 /nfs/dbraw/zinc/11/78/05/398117805.db2.gz CQQGSIZIGCDEEU-UHFFFAOYSA-N 0 1 248.374 2.455 20 0 BEADMN CCn1ncnc1CN1CCCC[C@@H]1C(C)C ZINC000193351695 398111005 /nfs/dbraw/zinc/11/10/05/398111005.db2.gz RBCNSOBAAWQLRI-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000193359887 398111039 /nfs/dbraw/zinc/11/10/39/398111039.db2.gz UNKHEEPRKRVMGC-RYUDHWBXSA-N 0 1 234.347 2.063 20 0 BEADMN CC[C@H](C)CN(C)Cc1nccc(C)n1 ZINC000336648792 171273906 /nfs/dbraw/zinc/27/39/06/171273906.db2.gz PPSHVXWBJCOVPG-JTQLQIEISA-N 0 1 207.321 2.263 20 0 BEADMN C[C@H]1CN(CCc2cccnc2)C2(CCC2)CO1 ZINC000649822533 398124316 /nfs/dbraw/zinc/12/43/16/398124316.db2.gz JJCVQFMOVRVGIK-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CCc1noc(CNC2(CC)CCCC2)n1 ZINC000649824278 398126497 /nfs/dbraw/zinc/12/64/97/398126497.db2.gz GKIOSEVGJXCGJA-UHFFFAOYSA-N 0 1 223.320 2.444 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CCCC[C@H]1C ZINC000649831503 398130865 /nfs/dbraw/zinc/13/08/65/398130865.db2.gz VUQJMCABTVQSJQ-JFGNBEQYSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@@H]1CCCC[C@H]1C ZINC000649831501 398130876 /nfs/dbraw/zinc/13/08/76/398130876.db2.gz VUQJMCABTVQSJQ-CKYFFXLPSA-N 0 1 222.336 2.109 20 0 BEADMN CC(C)(C)[C@@H](O)CNCc1nc2ccccc2o1 ZINC000638582241 398133778 /nfs/dbraw/zinc/13/37/78/398133778.db2.gz KPEABXFWBOCIAQ-LBPRGKRZSA-N 0 1 248.326 2.324 20 0 BEADMN CC(C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000189880441 167001687 /nfs/dbraw/zinc/00/16/87/167001687.db2.gz CJANLNBSCJRUHY-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN Cc1nccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1Cl ZINC000381995611 487529054 /nfs/dbraw/zinc/52/90/54/487529054.db2.gz IJIXHLZLHIJESZ-IEBDPFPHSA-N 0 1 238.718 2.197 20 0 BEADMN c1cnc([C@H]2CCCCN2CC2CC2)nc1 ZINC001648212677 1172812402 /nfs/dbraw/zinc/81/24/02/1172812402.db2.gz XIUFKDYUFKJTTR-GFCCVEGCSA-N 0 1 217.316 2.414 20 0 BEADMN CCC[C@H]1CCCN1C(=O)CCc1cc(C)[nH]n1 ZINC001648340483 1172826607 /nfs/dbraw/zinc/82/66/07/1172826607.db2.gz UJUJSIZMYBXSAA-ZDUSSCGKSA-N 0 1 249.358 2.442 20 0 BEADMN CC(C)(NCC1=NOCC1)c1ccc(F)cc1 ZINC001648333650 1172825856 /nfs/dbraw/zinc/82/58/56/1172825856.db2.gz WHTDRPRUGFFXAI-UHFFFAOYSA-N 0 1 236.290 2.427 20 0 BEADMN Cc1nocc1CN1CCCC[C@]12CCOC2 ZINC001648641868 1172856312 /nfs/dbraw/zinc/85/63/12/1172856312.db2.gz PDELVWVEQXOGKE-CYBMUJFWSA-N 0 1 236.315 2.128 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2C[C@@H]2C)n1 ZINC000309455037 487557901 /nfs/dbraw/zinc/55/79/01/487557901.db2.gz NKGDJEMNDSUUHV-CIUDSAMLSA-N 0 1 209.293 2.239 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C/c1ccccc1)C1CC1 ZINC000037598509 487558921 /nfs/dbraw/zinc/55/89/21/487558921.db2.gz JFMQGKZXKQKCAO-QPJJXVBHSA-N 0 1 231.295 2.249 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762915 487559890 /nfs/dbraw/zinc/55/98/90/487559890.db2.gz AXZBZZQAHNBIKC-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN CN(Cc1nc2ccccc2o1)C[C@H](O)C1CC1 ZINC000674314089 487559492 /nfs/dbraw/zinc/55/94/92/487559492.db2.gz UESGJWYFPGLADN-LBPRGKRZSA-N 0 1 246.310 2.031 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CCCF)C2 ZINC000169156826 487561165 /nfs/dbraw/zinc/56/11/65/487561165.db2.gz PMUNAGCTGJZOBY-UHFFFAOYSA-N 0 1 223.247 2.060 20 0 BEADMN CN(C)C1(C(=O)NCCCCC(C)(C)C)CC1 ZINC000668257130 487563758 /nfs/dbraw/zinc/56/37/58/487563758.db2.gz VVTYAPKXWNGMOY-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCCc2ccccc21 ZINC000074672835 487563891 /nfs/dbraw/zinc/56/38/91/487563891.db2.gz BUXXRCCBWNVCPB-UHFFFAOYSA-N 0 1 241.294 2.311 20 0 BEADMN Cn1cncc1CNCc1cnc(C2CC2)s1 ZINC000685624577 487567086 /nfs/dbraw/zinc/56/70/86/487567086.db2.gz ASQAADMTWUVVOE-UHFFFAOYSA-N 0 1 248.355 2.044 20 0 BEADMN Cn1cncc1CN1C2CCCC1CCC2 ZINC000674373549 487567737 /nfs/dbraw/zinc/56/77/37/487567737.db2.gz ZEKBCMJIEBIQTD-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000382986916 487574463 /nfs/dbraw/zinc/57/44/63/487574463.db2.gz WJLHBOAVOZSHQW-DTWKUNHWSA-N 0 1 247.285 2.359 20 0 BEADMN CC(C)OCCCN(C)[C@@H](C)c1cnccn1 ZINC000274330832 167210572 /nfs/dbraw/zinc/21/05/72/167210572.db2.gz LGDWKONVYOGDOC-LBPRGKRZSA-N 0 1 237.347 2.285 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@@H+]1CC=CCC1 ZINC000238639561 487588704 /nfs/dbraw/zinc/58/87/04/487588704.db2.gz UMMHZAKLEVJDBL-LBPRGKRZSA-N 0 1 217.268 2.074 20 0 BEADMN CC(C)OC[C@H](C)NCc1nccs1 ZINC000308674235 167266458 /nfs/dbraw/zinc/26/64/58/167266458.db2.gz VRMFHBCIIKOSIS-VIFPVBQESA-N 0 1 214.334 2.046 20 0 BEADMN C[C@H](CN[C@@H](C)c1ncn(C)n1)C(C)(C)C ZINC000309754600 487590845 /nfs/dbraw/zinc/59/08/45/487590845.db2.gz LHQBPDWRVUHUQC-ZJUUUORDSA-N 0 1 224.352 2.148 20 0 BEADMN CC(C)O[C@@H]1C[C@H](NCc2ccon2)C1(C)C ZINC000361235686 167281208 /nfs/dbraw/zinc/28/12/08/167281208.db2.gz DUCNGNPPHCWGKC-NWDGAFQWSA-N 0 1 238.331 2.356 20 0 BEADMN CCn1ccc(CN(C)Cc2cnn(C)c2C)c1 ZINC000682999542 487604980 /nfs/dbraw/zinc/60/49/80/487604980.db2.gz KPCBWMKCRZLHLL-UHFFFAOYSA-N 0 1 246.358 2.182 20 0 BEADMN c1n[nH]nc1SC[C@H]1CCC2(CCCC2)O1 ZINC001651833679 1172993097 /nfs/dbraw/zinc/99/30/97/1172993097.db2.gz JXANVJARNUHAOM-SECBINFHSA-N 0 1 239.344 2.389 20 0 BEADMN CC(C)SCCN1CCO[C@H](C)[C@@H]1C ZINC000336703437 167327352 /nfs/dbraw/zinc/32/73/52/167327352.db2.gz ZZLZFTOAFOMQQR-WDEREUQCSA-N 0 1 217.378 2.237 20 0 BEADMN CC(C)SCCNCc1c(Cl)cnn1C ZINC000290146444 167330253 /nfs/dbraw/zinc/33/02/53/167330253.db2.gz OKUAHTUXMQOPDB-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)oc2C)C[C@H]1C ZINC000660720286 409644240 /nfs/dbraw/zinc/64/42/40/409644240.db2.gz IOVOGZPIOGLDQT-RNCFNFMXSA-N 0 1 238.331 2.148 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)C[C@H]1CC1(C)C ZINC000662343491 409655807 /nfs/dbraw/zinc/65/58/07/409655807.db2.gz KCYSMPORXPEVRP-NXEZZACHSA-N 0 1 234.347 2.098 20 0 BEADMN CC1(C)COC[C@H]1NCc1cc(C2CC2)no1 ZINC000660738815 409684674 /nfs/dbraw/zinc/68/46/74/409684674.db2.gz TWCOCPUERGEFBY-GFCCVEGCSA-N 0 1 236.315 2.067 20 0 BEADMN CC1(C)C[C@@H](N2CCO[C@@H](C3CCC3)C2)CO1 ZINC000660796541 409758267 /nfs/dbraw/zinc/75/82/67/409758267.db2.gz KOODESVLMJZCKW-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN C[N@@H+](CCC1CCCCC1)Cc1n[n-]c(=O)o1 ZINC000660848040 409859236 /nfs/dbraw/zinc/85/92/36/409859236.db2.gz UMOPAOGDLWYHHS-UHFFFAOYSA-N 0 1 239.319 2.177 20 0 BEADMN CC(=O)CN(Cc1ccccc1)C(C)C ZINC000048013605 409898142 /nfs/dbraw/zinc/89/81/42/409898142.db2.gz LUIUYGVWEPLZCO-UHFFFAOYSA-N 0 1 205.301 2.486 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)c2)C2(CCC2)CO1 ZINC000651974321 409963148 /nfs/dbraw/zinc/96/31/48/409963148.db2.gz ADTJUKWIABOXTO-LBPRGKRZSA-N 0 1 234.343 2.169 20 0 BEADMN C[C@H]1CCN(c2ncnc3[nH]cnc32)CC1(C)C ZINC000680530499 487612291 /nfs/dbraw/zinc/61/22/91/487612291.db2.gz MZALXYNHBHFKFD-VIFPVBQESA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C1CCC1)[C@@H]1C=CCCC1 ZINC000573267999 410065031 /nfs/dbraw/zinc/06/50/31/410065031.db2.gz WMVWORUXPJFVBY-WDEREUQCSA-N 0 1 223.316 2.423 20 0 BEADMN Cc1cc(CNCc2ccoc2)ccn1 ZINC000391161404 410076868 /nfs/dbraw/zinc/07/68/68/410076868.db2.gz UGUKOHQIBJZJQF-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C(=O)[O-] ZINC000663317390 410110811 /nfs/dbraw/zinc/11/08/11/410110811.db2.gz NCZRXYSSTWZZRO-UJPOAAIJSA-N 0 1 237.343 2.075 20 0 BEADMN CN(Cc1c[nH]cn1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000661092867 410171416 /nfs/dbraw/zinc/17/14/16/410171416.db2.gz LMOJZHWAHMVZPH-ZIAGYGMSSA-N 0 1 227.311 2.398 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000162769764 487614529 /nfs/dbraw/zinc/61/45/29/487614529.db2.gz OWMKAACZIBYQAF-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN CNC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000661134271 410294480 /nfs/dbraw/zinc/29/44/80/410294480.db2.gz VGPJPTPHHSKMGU-UHFFFAOYSA-N 0 1 240.372 2.095 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001652008978 1173023548 /nfs/dbraw/zinc/02/35/48/1173023548.db2.gz VIKUYOLMTACEFW-NXEZZACHSA-N 0 1 244.285 2.086 20 0 BEADMN COC(=O)c1ccccc1C[N@H+]1CC[C@H](C)C1 ZINC000130180061 410394435 /nfs/dbraw/zinc/39/44/35/410394435.db2.gz HOOLYCHOLBAETM-NSHDSACASA-N 0 1 233.311 2.315 20 0 BEADMN Cc1cccc(NC2(CC(=O)[O-])CCC2)[nH+]1 ZINC000650777064 410427403 /nfs/dbraw/zinc/42/74/03/410427403.db2.gz SAGXBSYXDMNKLN-UHFFFAOYSA-N 0 1 220.272 2.199 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2c1CCC2 ZINC000650789520 410435496 /nfs/dbraw/zinc/43/54/96/410435496.db2.gz IMEUIFPDEPZGNE-UHFFFAOYSA-N 0 1 233.311 2.082 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cccs1 ZINC000650794280 410442800 /nfs/dbraw/zinc/44/28/00/410442800.db2.gz YSILPPNOGPQBHH-PSASIEDQSA-N 0 1 225.313 2.186 20 0 BEADMN CCN(CC)C(=O)C[C@H](C)NCc1ccco1 ZINC000119849805 169751034 /nfs/dbraw/zinc/75/10/34/169751034.db2.gz ZDBJBMUNYNALRH-NSHDSACASA-N 0 1 238.331 2.016 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000650805677 410511350 /nfs/dbraw/zinc/51/13/50/410511350.db2.gz HORXCHJBDMLAEX-KOLCDFICSA-N 0 1 241.356 2.474 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000650805676 410511453 /nfs/dbraw/zinc/51/14/53/410511453.db2.gz HORXCHJBDMLAEX-GXSJLCMTSA-N 0 1 241.356 2.474 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1Cc2ccccc2C1 ZINC000650806171 410514105 /nfs/dbraw/zinc/51/41/05/410514105.db2.gz SISNNXSOUHGZNI-AWEZNQCLSA-N 0 1 247.338 2.196 20 0 BEADMN CN[C@H](C)c1cn(C2CCCCC2)nn1 ZINC000309028690 487617597 /nfs/dbraw/zinc/61/75/97/487617597.db2.gz ZXACRCHPLIGRLV-SECBINFHSA-N 0 1 208.309 2.064 20 0 BEADMN C=C/C(C)=C\CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000651007123 410753244 /nfs/dbraw/zinc/75/32/44/410753244.db2.gz LRAWVXQEHACOBM-POHAHGRESA-N 0 1 248.330 2.067 20 0 BEADMN CC(C)CC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000062622148 166762682 /nfs/dbraw/zinc/76/26/82/166762682.db2.gz JFRALWRWYCSHKZ-AWEZNQCLSA-N 0 1 246.354 2.206 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651072208 410780465 /nfs/dbraw/zinc/78/04/65/410780465.db2.gz JQKCCZGLNLOTCJ-QWHCGFSZSA-N 0 1 247.342 2.161 20 0 BEADMN Cc1ccoc1C[N@H+](C)CCC[C@@H](C)O ZINC000308879861 410785189 /nfs/dbraw/zinc/78/51/89/410785189.db2.gz CQXYZXRVGYQGLY-LLVKDONJSA-N 0 1 211.305 2.181 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)[C@H](C)N(C)C ZINC000651115799 410813766 /nfs/dbraw/zinc/81/37/66/410813766.db2.gz PGRAXCKBNKGYQU-JSGCOSHPSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000103316132 410889374 /nfs/dbraw/zinc/88/93/74/410889374.db2.gz JCITYLVQXRWVDJ-NSHDSACASA-N 0 1 202.257 2.435 20 0 BEADMN CC(C)CNCc1nc(-c2ccccc2)no1 ZINC000057440285 167010728 /nfs/dbraw/zinc/01/07/28/167010728.db2.gz FZQUKDJWHITTEI-UHFFFAOYSA-N 0 1 231.299 2.482 20 0 BEADMN CC(C)CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340477030 167013220 /nfs/dbraw/zinc/01/32/20/167013220.db2.gz WHVQMMYNACVBIY-CYBMUJFWSA-N 0 1 248.305 2.279 20 0 BEADMN CC(C)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000125760664 167133947 /nfs/dbraw/zinc/13/39/47/167133947.db2.gz IQFZTFDXBKAQJP-SNVBAGLBSA-N 0 1 222.336 2.234 20 0 BEADMN CC(C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000083185036 167171134 /nfs/dbraw/zinc/17/11/34/167171134.db2.gz AZYMXDSYENKICD-UHFFFAOYSA-N 0 1 220.228 2.235 20 0 BEADMN CC(C)OCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000299312763 167202347 /nfs/dbraw/zinc/20/23/47/167202347.db2.gz SCTVFGHELBRHIJ-UHFFFAOYSA-N 0 1 247.298 2.317 20 0 BEADMN CC(C)Sc1nc(-c2ccccn2)n[nH]1 ZINC000078768277 167338054 /nfs/dbraw/zinc/33/80/54/167338054.db2.gz PKUBRBXYOHYOSQ-UHFFFAOYSA-N 0 1 220.301 2.367 20 0 BEADMN CC(C)[C@@H](C)N(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000036788125 167370069 /nfs/dbraw/zinc/37/00/69/167370069.db2.gz JDKZAEVOTKVQBW-SECBINFHSA-N 0 1 222.288 2.261 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCCC(C)(C)C1 ZINC000112701789 167373622 /nfs/dbraw/zinc/37/36/22/167373622.db2.gz YMFLZAANWXOITJ-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[C@@H](CC(F)(F)F)NCc1cc[nH]n1 ZINC000336657428 167389358 /nfs/dbraw/zinc/38/93/58/167389358.db2.gz IJUKKWMTVZXZRP-SECBINFHSA-N 0 1 235.253 2.476 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)nc1 ZINC000397493799 410923845 /nfs/dbraw/zinc/92/38/45/410923845.db2.gz NTBPBNGOJDKFAP-RYUDHWBXSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@@H](C)N1N=C(c2ccccc2)CC1=O ZINC000104172088 410926119 /nfs/dbraw/zinc/92/61/19/410926119.db2.gz MZYQUPAXNMOGAV-SNVBAGLBSA-N 0 1 216.284 2.422 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000044620418 411138556 /nfs/dbraw/zinc/13/85/56/411138556.db2.gz ZKWWSJKMUGOXSW-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H]1CCCCC[C@@H]1NCC(F)(F)CO ZINC000651764409 411142573 /nfs/dbraw/zinc/14/25/73/411142573.db2.gz XYDNQOFOKDHPQD-UWVGGRQHSA-N 0 1 221.291 2.172 20 0 BEADMN Cn1ccnc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911749 411150269 /nfs/dbraw/zinc/15/02/69/411150269.db2.gz WCPWKAPJNJILOW-WDEREUQCSA-N 0 1 221.348 2.334 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000652758383 411151522 /nfs/dbraw/zinc/15/15/22/411151522.db2.gz UBUMYYCAKUDZQZ-CMPLNLGQSA-N 0 1 249.358 2.283 20 0 BEADMN CC/C=C(\C)c1nc([C@H]2CCCN2)no1 ZINC000309507685 411155167 /nfs/dbraw/zinc/15/51/67/411155167.db2.gz NWQGGCZUHVTLTJ-WHXYTISESA-N 0 1 207.277 2.307 20 0 BEADMN CC/C=C(/C)c1nc([C@H]2CCCN2)no1 ZINC000309507682 411155204 /nfs/dbraw/zinc/15/52/04/411155204.db2.gz NWQGGCZUHVTLTJ-BZJXQOFCSA-N 0 1 207.277 2.307 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655936754 411158871 /nfs/dbraw/zinc/15/88/71/411158871.db2.gz NUQYHSBUECAPDS-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CCc1ncc(CN(CC)[C@@H]2CCCOC2)cn1 ZINC000651948367 411159679 /nfs/dbraw/zinc/15/96/79/411159679.db2.gz KILWDTDHIYJUNO-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H](C)SC2)s1 ZINC000655750936 411160412 /nfs/dbraw/zinc/16/04/12/411160412.db2.gz HLKXVMCPCVYFQN-VXNVDRBHSA-N 0 1 243.401 2.220 20 0 BEADMN CC(C)n1cc(CNC2CC3(CCC3)C2)nn1 ZINC000652042154 411092398 /nfs/dbraw/zinc/09/23/98/411092398.db2.gz KRLBFMOHZCKLCC-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN COc1cccc(CN(C)[C@H](C)CCO)c1F ZINC000652049824 411096089 /nfs/dbraw/zinc/09/60/89/411096089.db2.gz OSAPNFRDMMUYQA-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CCn1cc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000652063499 411103644 /nfs/dbraw/zinc/10/36/44/411103644.db2.gz NRBULYQTDSXBLZ-LLVKDONJSA-N 0 1 241.285 2.134 20 0 BEADMN F[C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000652076862 411108887 /nfs/dbraw/zinc/10/88/87/411108887.db2.gz BORCVCKSZDEMRL-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN F[C@H]1CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000652077869 411108987 /nfs/dbraw/zinc/10/89/87/411108987.db2.gz VPYZVGINOAFUCJ-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN c1cnc2c(c1)CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660462665 411171396 /nfs/dbraw/zinc/17/13/96/411171396.db2.gz RIXRYYJHAAOFKO-LMKPVCQUSA-N 0 1 214.312 2.443 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CC1=CCCC1 ZINC000401019962 411172214 /nfs/dbraw/zinc/17/22/14/411172214.db2.gz GHEJDSDTEFVYJS-NSHDSACASA-N 0 1 209.289 2.036 20 0 BEADMN Cc1nocc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000335983679 411242860 /nfs/dbraw/zinc/24/28/60/411242860.db2.gz UOOMEJDJTGGCFC-DTORHVGOSA-N 0 1 226.345 2.309 20 0 BEADMN O=C([O-])C[N@H+](Cc1ccc(Cl)o1)C1CCC1 ZINC000656100013 411178162 /nfs/dbraw/zinc/17/81/62/411178162.db2.gz CEZYJZMLTHQYDK-UHFFFAOYSA-N 0 1 243.690 2.372 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(Cl)o1)C1CCC1 ZINC000656100013 411178163 /nfs/dbraw/zinc/17/81/63/411178163.db2.gz CEZYJZMLTHQYDK-UHFFFAOYSA-N 0 1 243.690 2.372 20 0 BEADMN CCC[C@@H](C)C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656101479 411178976 /nfs/dbraw/zinc/17/89/76/411178976.db2.gz MWWXLURYBUAZHX-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000113675235 411244065 /nfs/dbraw/zinc/24/40/65/411244065.db2.gz TUZXEZAMOAGVFT-GWCFXTLKSA-N 0 1 233.311 2.473 20 0 BEADMN c1cc(CN2CCC[C@@H](OC3CCC3)C2)on1 ZINC000653816452 411191768 /nfs/dbraw/zinc/19/17/68/411191768.db2.gz ZHHIQDDKZBZFRB-GFCCVEGCSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@H](N[C@@H](CO)CCF)c1ccncc1Cl ZINC000652300831 411192320 /nfs/dbraw/zinc/19/23/20/411192320.db2.gz MIRGVQBKZLRUQV-DTWKUNHWSA-N 0 1 246.713 2.106 20 0 BEADMN COc1ccc2c(c1)CN(C[C@H](OC)C1CC1)C2 ZINC000653834072 411196477 /nfs/dbraw/zinc/19/64/77/411196477.db2.gz COGKPIXAOVPNAY-HNNXBMFYSA-N 0 1 247.338 2.436 20 0 BEADMN CC(C)CNC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000048434001 411198691 /nfs/dbraw/zinc/19/86/91/411198691.db2.gz FYZGNBQUNOSQMI-CYBMUJFWSA-N 0 1 248.370 2.452 20 0 BEADMN Cc1noc([C@H](C)N(C)CC2CC(F)(F)C2)n1 ZINC000653847250 411198954 /nfs/dbraw/zinc/19/89/54/411198954.db2.gz XLFYHSCQPBJTEB-ZETCQYMHSA-N 0 1 245.273 2.416 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CSC[C@@H]1C ZINC000309304606 167771990 /nfs/dbraw/zinc/77/19/90/167771990.db2.gz AJUZQRQVFUUGRH-WDEREUQCSA-N 0 1 239.388 2.305 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2COC3(CCC3)C2)c2nccn21 ZINC000658030473 411207539 /nfs/dbraw/zinc/20/75/39/411207539.db2.gz ZWLMGIDPQLMYMW-UTUOFQBUSA-N 0 1 247.342 2.190 20 0 BEADMN Cn1cnnc1CN1CCC[C@@H]1CC1CCCC1 ZINC000653892141 411210920 /nfs/dbraw/zinc/21/09/20/411210920.db2.gz AZMWFKOHQLQGGO-CYBMUJFWSA-N 0 1 248.374 2.360 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000652358606 411216708 /nfs/dbraw/zinc/21/67/08/411216708.db2.gz WVTTWHSQEQQNSD-JSGCOSHPSA-N 0 1 245.322 2.339 20 0 BEADMN CO[C@H](C)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903088 411219725 /nfs/dbraw/zinc/21/97/25/411219725.db2.gz DLYYAPXRDCFETR-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H](OC2CCC2)C1 ZINC000656272561 411222656 /nfs/dbraw/zinc/22/26/56/411222656.db2.gz XUFMZJRLSBUHJC-AWEZNQCLSA-N 0 1 249.358 2.252 20 0 BEADMN COc1ccsc1CN(C[C@H](C)O)C1CC1 ZINC000656277654 411227949 /nfs/dbraw/zinc/22/79/49/411227949.db2.gz DMQZVFYKHKSODS-VIFPVBQESA-N 0 1 241.356 2.102 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652401199 411229036 /nfs/dbraw/zinc/22/90/36/411229036.db2.gz QKPVUQLFYGFGAE-CABZTGNLSA-N 0 1 237.274 2.293 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000652400976 411229764 /nfs/dbraw/zinc/22/97/64/411229764.db2.gz CQOZLAXDZNPNQK-SKDRFNHKSA-N 0 1 237.274 2.293 20 0 BEADMN O=C(c1ccn[nH]1)N(C1CC1)C1CCCCC1 ZINC000049427758 411234236 /nfs/dbraw/zinc/23/42/36/411234236.db2.gz ZWNSCVVRHMGOKD-UHFFFAOYSA-N 0 1 233.315 2.347 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C[C@@H]1C ZINC000652418498 411236691 /nfs/dbraw/zinc/23/66/91/411236691.db2.gz VOMVRIVYQZPVJM-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@@H]1CCn2ccnc21 ZINC000658089776 411239557 /nfs/dbraw/zinc/23/95/57/411239557.db2.gz BANQWSMBVFFKPE-QWHCGFSZSA-N 0 1 249.358 2.123 20 0 BEADMN CC(C)=CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000660001417 411165978 /nfs/dbraw/zinc/16/59/78/411165978.db2.gz QKKPPQHXFTZDFH-OLZOCXBDSA-N 0 1 236.359 2.086 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000086807699 411261906 /nfs/dbraw/zinc/26/19/06/411261906.db2.gz CHOQQNUJBDIJSR-NWDGAFQWSA-N 0 1 235.327 2.443 20 0 BEADMN CC(C)C[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513095 411262722 /nfs/dbraw/zinc/26/27/22/411262722.db2.gz VVKQTXMDKOPUKB-KGYLQXTDSA-N 0 1 239.359 2.464 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1nsc2ccccc21 ZINC000660148255 411264004 /nfs/dbraw/zinc/26/40/04/411264004.db2.gz JITCBTGZTUDVMC-ZJUUUORDSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H](NC/C=C/CO)c1cnn(C2CCCC2)c1 ZINC000658141675 411264566 /nfs/dbraw/zinc/26/45/66/411264566.db2.gz XQUHPWVAAIIPIZ-ITKZLYELSA-N 0 1 249.358 2.197 20 0 BEADMN C[C@@H](NC/C=C/CO)c1cnn(C2CCCC2)c1 ZINC000658141681 411264968 /nfs/dbraw/zinc/26/49/68/411264968.db2.gz XQUHPWVAAIIPIZ-ZYOFXKKJSA-N 0 1 249.358 2.197 20 0 BEADMN C[C@@H](NC/C=C\CO)c1cnn(C2CCCC2)c1 ZINC000658141677 411265136 /nfs/dbraw/zinc/26/51/36/411265136.db2.gz XQUHPWVAAIIPIZ-QMAVJUDZSA-N 0 1 249.358 2.197 20 0 BEADMN CCC[C@H](NC/C=C\CO)c1ccccn1 ZINC000658142828 411265627 /nfs/dbraw/zinc/26/56/27/411265627.db2.gz ZKJKEOLEJZFBRG-FJOGCWAESA-N 0 1 220.316 2.061 20 0 BEADMN CN[C@H](C)c1cn([C@@]2(C)CCCC[C@@H]2C)nn1 ZINC000656459427 411269124 /nfs/dbraw/zinc/26/91/24/411269124.db2.gz UEDKXZIKKIVKCD-LOWVWBTDSA-N 0 1 236.363 2.484 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](C)C2(CO)CC2)cs1 ZINC000658155804 411269392 /nfs/dbraw/zinc/26/93/92/411269392.db2.gz RBYJWJYRQZELFB-RKDXNWHRSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](C)C2(CO)CC2)cs1 ZINC000658155802 411269585 /nfs/dbraw/zinc/26/95/85/411269585.db2.gz RBYJWJYRQZELFB-IUCAKERBSA-N 0 1 240.372 2.263 20 0 BEADMN CO[C@H](CN1CCC=C(F)C1)C1CCC1 ZINC000660167609 411274846 /nfs/dbraw/zinc/27/48/46/411274846.db2.gz XBTSSBIEDAPRDZ-GFCCVEGCSA-N 0 1 213.296 2.361 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC=CC2)[C@@H](C(=O)[O-])C1 ZINC000659790104 411280077 /nfs/dbraw/zinc/28/00/77/411280077.db2.gz WXKSWTKSIVRAMW-ZYHUDNBSSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)=CCC[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000659790955 411281343 /nfs/dbraw/zinc/28/13/43/411281343.db2.gz VFTFVZWQEXWJKU-JTQLQIEISA-N 0 1 211.305 2.280 20 0 BEADMN C[C@@H]1CCCN1Cc1cc2n(n1)CCCC2 ZINC000649545564 411289703 /nfs/dbraw/zinc/28/97/03/411289703.db2.gz JUXFMPPQQPNXKS-LLVKDONJSA-N 0 1 219.332 2.204 20 0 BEADMN FC(F)(F)CCN[C@@H]1CCCn2ccnc21 ZINC000655720743 411292655 /nfs/dbraw/zinc/29/26/55/411292655.db2.gz FJQKFUMWBYRULY-MRVPVSSYSA-N 0 1 233.237 2.260 20 0 BEADMN C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802163 411293472 /nfs/dbraw/zinc/29/34/72/411293472.db2.gz QQWDXLPKUISSAO-LPEHRKFASA-N 0 1 247.285 2.217 20 0 BEADMN O=C([O-])CCC[N@@H+](CCC1CC1)CC1CC1 ZINC000659803464 411295522 /nfs/dbraw/zinc/29/55/22/411295522.db2.gz HXPQZYOYQBNYTK-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@H]2CCC[C@@H](C)O2)c2nccn21 ZINC000658216789 411297312 /nfs/dbraw/zinc/29/73/12/411297312.db2.gz UOXCSFRICVEAMO-FDYHWXHSSA-N 0 1 249.358 2.436 20 0 BEADMN C[C@@H](NC[C@H](CO)CC1CC1)c1nccs1 ZINC000658246169 411311113 /nfs/dbraw/zinc/31/11/13/411311113.db2.gz BRLSRZWMDRQVKN-MWLCHTKSSA-N 0 1 240.372 2.202 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000659828054 411311192 /nfs/dbraw/zinc/31/11/92/411311192.db2.gz DLOOJCXBPFXAMG-OUAUKWLOSA-N 0 1 236.363 2.406 20 0 BEADMN C[C@@H](NC[C@H](CO)CC1CC1)c1cscn1 ZINC000658253010 411315325 /nfs/dbraw/zinc/31/53/25/411315325.db2.gz MRRUQKIOTHTNDC-MWLCHTKSSA-N 0 1 240.372 2.202 20 0 BEADMN C[C@@H](O)CCNc1ccc2cnccc2c1 ZINC000656654948 411317506 /nfs/dbraw/zinc/31/75/06/411317506.db2.gz KBKWJCTWVDAIBY-SNVBAGLBSA-N 0 1 216.284 2.418 20 0 BEADMN c1cn2c(n1)[C@H](NCC1=CCCC1)CCC2 ZINC000658291771 411324988 /nfs/dbraw/zinc/32/49/88/411324988.db2.gz SQUUSKHMVWJOGX-GFCCVEGCSA-N 0 1 217.316 2.418 20 0 BEADMN CC1(C)SC[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655766246 411248752 /nfs/dbraw/zinc/24/87/52/411248752.db2.gz OGNSVZMEJMDUAT-VHSXEESVSA-N 0 1 237.372 2.202 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCSC2)nc(C)n1 ZINC000660128864 411249352 /nfs/dbraw/zinc/24/93/52/411249352.db2.gz NYVKIWWMEVAHEP-GFCCVEGCSA-N 0 1 237.372 2.031 20 0 BEADMN Cc1ccnc(C[N@@H+](CCC(=O)[O-])CC2CC2)c1 ZINC000652467351 411249355 /nfs/dbraw/zinc/24/93/55/411249355.db2.gz USTZMBOCQGYDNU-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cccnc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467159 411249872 /nfs/dbraw/zinc/24/98/72/411249872.db2.gz MRASGROQVQNZNW-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1ccc(CC[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000652481450 411253429 /nfs/dbraw/zinc/25/34/29/411253429.db2.gz PEPKIEUOQOPNBZ-OAHLLOKOSA-N 0 1 247.338 2.477 20 0 BEADMN CC(C)C[C@H](NC/C=C\CO)c1ccccn1 ZINC000658132334 411256399 /nfs/dbraw/zinc/25/63/99/411256399.db2.gz HEJYBTMEQJETIK-GXMNPTEKSA-N 0 1 234.343 2.307 20 0 BEADMN C[C@@H](NC/C=C/CO)c1cc(F)ccc1F ZINC000658133507 411257409 /nfs/dbraw/zinc/25/74/09/411257409.db2.gz MWPGIIUCSDVUQH-GKQMSVHHSA-N 0 1 227.254 2.164 20 0 BEADMN COc1ccc([C@@H](C)NC/C=C\CO)c(F)c1 ZINC000658133686 411257565 /nfs/dbraw/zinc/25/75/65/411257565.db2.gz RSMZGMCZIIBLPY-UMBAGQNISA-N 0 1 239.290 2.033 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])nc1 ZINC000652502583 411260277 /nfs/dbraw/zinc/26/02/77/411260277.db2.gz FMILNRAYPOPFHZ-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H]3COC[C@@H]3C2)o1 ZINC000662036493 411351892 /nfs/dbraw/zinc/35/18/92/411351892.db2.gz RWEVYZOAAQQOEF-TUAOUCFPSA-N 0 1 236.315 2.012 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000656759202 411352265 /nfs/dbraw/zinc/35/22/65/411352265.db2.gz XPDIERXDQHZVDI-LLVKDONJSA-N 0 1 247.338 2.295 20 0 BEADMN CC(C)(C)CCC[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656759628 411354566 /nfs/dbraw/zinc/35/45/66/411354566.db2.gz BNVSXHMCWIMXKA-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2C/C=C\c1ccccc1 ZINC000656760038 411355526 /nfs/dbraw/zinc/35/55/26/411355526.db2.gz OLBFQYIOHPOCCA-DAXSKMNVSA-N 0 1 243.306 2.249 20 0 BEADMN CC1(CO)CN(Cc2ccc3cnccc3c2)C1 ZINC000656775778 411356100 /nfs/dbraw/zinc/35/61/00/411356100.db2.gz PYLUBPQFNDYZBB-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN CCN(CCO)Cc1cccc(OC)c1Cl ZINC000659876952 411360619 /nfs/dbraw/zinc/36/06/19/411360619.db2.gz CUOKLAPQBRNCFT-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CCC(C)(C)c1nc([C@H]2CCCN2)no1 ZINC000070947003 411369913 /nfs/dbraw/zinc/36/99/13/411369913.db2.gz FSIGGFWRXVMIFU-MRVPVSSYSA-N 0 1 209.293 2.182 20 0 BEADMN c1cc(-c2nc([C@H]3CCCN3)no2)cs1 ZINC000070947152 411370305 /nfs/dbraw/zinc/37/03/05/411370305.db2.gz NYDODZQVQZKLPM-MRVPVSSYSA-N 0 1 221.285 2.223 20 0 BEADMN CO[C@H](CN1CCOC[C@@H]1C)C1CCCCC1 ZINC000660647743 411370748 /nfs/dbraw/zinc/37/07/48/411370748.db2.gz HIYRLTPIEBKWGU-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccoc1-c1nc([C@H]2CCCN2)no1 ZINC000070947042 411371007 /nfs/dbraw/zinc/37/10/07/411371007.db2.gz SCVQMHDWNMKYFR-MRVPVSSYSA-N 0 1 219.244 2.063 20 0 BEADMN CC1(CN[C@H]2CCCc3occc32)OCCO1 ZINC000193065824 168047354 /nfs/dbraw/zinc/04/73/54/168047354.db2.gz HMMRTIHLWFXZJO-NSHDSACASA-N 0 1 237.299 2.010 20 0 BEADMN CC(C)C[C@H](C)N1CCn2cncc2C1 ZINC000660583963 411337923 /nfs/dbraw/zinc/33/79/23/411337923.db2.gz OTCLQSYMGFZGTD-NSHDSACASA-N 0 1 207.321 2.133 20 0 BEADMN c1ncn2c1CN(CCCC1CCC1)CC2 ZINC000660583918 411338254 /nfs/dbraw/zinc/33/82/54/411338254.db2.gz OLGPUQYYUGGOBB-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN Cc1ccccc1NC(=O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000661971090 411340051 /nfs/dbraw/zinc/34/00/51/411340051.db2.gz HNGHHGGXEIHSKC-CHWSQXEVSA-N 0 1 244.338 2.275 20 0 BEADMN CCOCCCN1CCC(=O)CC12CCC2 ZINC000653764024 411344134 /nfs/dbraw/zinc/34/41/34/411344134.db2.gz RRVHVZGPBPUDEH-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN CC1(C)[C@H](NCc2cccc(F)c2F)C[C@@H]1O ZINC000128333167 168001787 /nfs/dbraw/zinc/00/17/87/168001787.db2.gz DADXPMPZUWNCJT-MNOVXSKESA-N 0 1 241.281 2.214 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656761059 411345249 /nfs/dbraw/zinc/34/52/49/411345249.db2.gz LEVJVBLKTKRMRS-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN CC1(C)[C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)C[C@@H]21 ZINC000174251618 168011775 /nfs/dbraw/zinc/01/17/75/168011775.db2.gz GFLMNJGOUDCNAK-AOOOYVTPSA-N 0 1 245.326 2.015 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000179223106 168013602 /nfs/dbraw/zinc/01/36/02/168013602.db2.gz POLALKPKRLWTFW-DTORHVGOSA-N 0 1 208.330 2.231 20 0 BEADMN CCOC1CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000659854484 411345793 /nfs/dbraw/zinc/34/57/93/411345793.db2.gz ZMUQSYMFFPFXNG-UHFFFAOYSA-N 0 1 249.358 2.094 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656761265 411346076 /nfs/dbraw/zinc/34/60/76/411346076.db2.gz QXTSXXFENBCFKB-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cc1C ZINC000656761460 411346144 /nfs/dbraw/zinc/34/61/44/411346144.db2.gz TUYOFXDYSYIQAY-UHFFFAOYSA-N 0 1 245.322 2.352 20 0 BEADMN CC1(CCNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000280110481 168019427 /nfs/dbraw/zinc/01/94/27/168019427.db2.gz ROSUQJBYWHYTSH-JTQLQIEISA-N 0 1 247.342 2.136 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000656762259 411346705 /nfs/dbraw/zinc/34/67/05/411346705.db2.gz BIBPMOUCLNDPBW-NSHDSACASA-N 0 1 243.322 2.313 20 0 BEADMN Cc1ccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)c(C)c1 ZINC000656761829 411346715 /nfs/dbraw/zinc/34/67/15/411346715.db2.gz YBZMRRVYDGMFGL-UHFFFAOYSA-N 0 1 245.322 2.352 20 0 BEADMN CC1(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000372212782 168058680 /nfs/dbraw/zinc/05/86/80/168058680.db2.gz RLAOPULDRQOABJ-SNVBAGLBSA-N 0 1 248.330 2.029 20 0 BEADMN CC1(NC(=O)c2ccc3[nH]nnc3c2)CCCC1 ZINC000299249301 168061921 /nfs/dbraw/zinc/06/19/21/168061921.db2.gz QRZQXQPRZKOIJZ-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C2=C(C)CCC2)n[nH]1 ZINC000333338062 168079485 /nfs/dbraw/zinc/07/94/85/168079485.db2.gz ZPHZAIMLCUTSHM-SNVBAGLBSA-N 0 1 247.342 2.266 20 0 BEADMN Cn1cnc(CN2CCCc3ccccc3C2)c1 ZINC000659907391 411379145 /nfs/dbraw/zinc/37/91/45/411379145.db2.gz FVQIJDQTIOTZMY-UHFFFAOYSA-N 0 1 241.338 2.369 20 0 BEADMN CC1=C[C@H](C)C[C@@H](CN[C@H](C)c2ncn(C)n2)C1 ZINC000289404663 168129102 /nfs/dbraw/zinc/12/91/02/168129102.db2.gz AUSRMRNRKXKGEO-CYZMBNFOSA-N 0 1 248.374 2.458 20 0 BEADMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1CC1 ZINC000040753155 168135144 /nfs/dbraw/zinc/13/51/44/168135144.db2.gz QAXYGBZHVMFTQR-LBPRGKRZSA-N 0 1 214.268 2.435 20 0 BEADMN CC1CCC(C)(NC(=O)[C@H]2CCCN2C)CC1 ZINC000114074669 168151088 /nfs/dbraw/zinc/15/10/88/168151088.db2.gz XRBNNNNGAOGTFG-MBHSVXNSSA-N 0 1 238.375 2.166 20 0 BEADMN CC1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000131682302 168174785 /nfs/dbraw/zinc/17/47/85/168174785.db2.gz SDDLFGCKDOZOKM-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN CC1CCN(CC(=O)NCC2CCCC2)CC1 ZINC000353249520 168178044 /nfs/dbraw/zinc/17/80/44/168178044.db2.gz MXOGUSRFTSMEGY-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662201855 411376597 /nfs/dbraw/zinc/37/65/97/411376597.db2.gz VFWIFLHMTRPGNY-FVCCEPFGSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC(C)CC2)s1 ZINC000289235028 168184105 /nfs/dbraw/zinc/18/41/05/168184105.db2.gz YWYMKJVVWAZXIP-JTQLQIEISA-N 0 1 240.372 2.428 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC(C)CC2)s1 ZINC000289235031 168184454 /nfs/dbraw/zinc/18/44/54/168184454.db2.gz YWYMKJVVWAZXIP-SNVBAGLBSA-N 0 1 240.372 2.428 20 0 BEADMN CCC(=CC(=O)N[C@H](C)c1n[nH]c(C)n1)CC ZINC000286253588 168195239 /nfs/dbraw/zinc/19/52/39/168195239.db2.gz FCOOEVDSUUHBSR-MRVPVSSYSA-N 0 1 236.319 2.037 20 0 BEADMN CCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000276792950 168243222 /nfs/dbraw/zinc/24/32/22/168243222.db2.gz RECPRKUSUYVKMP-UHFFFAOYSA-N 0 1 203.245 2.220 20 0 BEADMN CC(C)[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000069690938 411384005 /nfs/dbraw/zinc/38/40/05/411384005.db2.gz OCUHXJAOZCKSGN-BDAKNGLRSA-N 0 1 209.293 2.254 20 0 BEADMN CCC(C)(C)C(=O)N1CCN(CC(C)C)CC1 ZINC000338874794 168261283 /nfs/dbraw/zinc/26/12/83/168261283.db2.gz DWMXNMJJNGHNTH-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CCC(C)(C)N(C)Cc1cc(COC)on1 ZINC000297292027 168285460 /nfs/dbraw/zinc/28/54/60/168285460.db2.gz AVRBEOQDJZJCPO-UHFFFAOYSA-N 0 1 226.320 2.441 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000659789830 411454923 /nfs/dbraw/zinc/45/49/23/411454923.db2.gz MMJLFHWLNAMMGE-QTZUAFFRSA-N 0 1 247.285 2.217 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000339629849 168294544 /nfs/dbraw/zinc/29/45/44/168294544.db2.gz UGUYDIBJJDTRDG-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000659788300 411454992 /nfs/dbraw/zinc/45/49/92/411454992.db2.gz GTLMJFPZALSACD-LBPRGKRZSA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)(C)OCCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000659792525 411455616 /nfs/dbraw/zinc/45/56/16/411455616.db2.gz DKYLFRQRCOSGCE-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CCC(C)(C)c1nc([C@H](N)C(C)C)no1 ZINC000054404361 168307150 /nfs/dbraw/zinc/30/71/50/168307150.db2.gz HRNOUXVIEQIOBG-MRVPVSSYSA-N 0 1 211.309 2.413 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCC1CCC1 ZINC000659794778 411455839 /nfs/dbraw/zinc/45/58/39/411455839.db2.gz SJKRIHFYMYETQB-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802842 411456406 /nfs/dbraw/zinc/45/64/06/411456406.db2.gz XXLLDYCXSVCZTD-VXGBXAGGSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])c1sccc1C[N@@H+]1CC=CCC1 ZINC000306665911 411456551 /nfs/dbraw/zinc/45/65/51/411456551.db2.gz UQKYDKPXMVZYQL-UHFFFAOYSA-N 0 1 223.297 2.208 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000659799312 411457056 /nfs/dbraw/zinc/45/70/56/411457056.db2.gz AFEJZUGAOZYPPL-CHWSQXEVSA-N 0 1 231.295 2.227 20 0 BEADMN CC[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659798323 411457273 /nfs/dbraw/zinc/45/72/73/411457273.db2.gz BCXALHSLAQORDT-MDZLAQPJSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638197841 411457288 /nfs/dbraw/zinc/45/72/88/411457288.db2.gz OXFSTCQHOKYUIG-BETUJISGSA-N 0 1 236.359 2.086 20 0 BEADMN C[N@@H+](CC12CCC(CC1)C2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801420 411457700 /nfs/dbraw/zinc/45/77/00/411457700.db2.gz HAZROVUVJQBWTB-OEIYDUSMSA-N 0 1 237.343 2.362 20 0 BEADMN C[N@@H+](C/C=C\c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802059 411457742 /nfs/dbraw/zinc/45/77/42/411457742.db2.gz PNJUNXOGVYUZCW-SJOWAIJRSA-N 0 1 245.322 2.495 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801318 411458038 /nfs/dbraw/zinc/45/80/38/411458038.db2.gz OJXKUYRNCFOPFN-JYYSYOFASA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000659804990 411459112 /nfs/dbraw/zinc/45/91/12/411459112.db2.gz JOXLCXIXPOHHQJ-LLVKDONJSA-N 0 1 243.372 2.091 20 0 BEADMN CC/C=C/CC[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802468 411459357 /nfs/dbraw/zinc/45/93/57/411459357.db2.gz WGXSAODWTFBOOR-UZPIOYONSA-N 0 1 211.305 2.138 20 0 BEADMN COc1cc(CN(C)C2CCC2)sn1 ZINC000659956590 411398876 /nfs/dbraw/zinc/39/88/76/411398876.db2.gz BUEYVQPDQHLMMP-UHFFFAOYSA-N 0 1 212.318 2.136 20 0 BEADMN C[C@H](C(=O)N(C)[C@@H](C)C(C)(C)C)N1CC(C)C1 ZINC000654453691 411399025 /nfs/dbraw/zinc/39/90/25/411399025.db2.gz DECJKTNKVQURFT-NEPJUHHUSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@H](CO)CN1CCc2cccc(Cl)c2C1 ZINC000657080787 411400520 /nfs/dbraw/zinc/40/05/20/411400520.db2.gz NGLAERATVPSFLX-JTQLQIEISA-N 0 1 239.746 2.327 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@H](C)CC(C)C ZINC000638284064 411461528 /nfs/dbraw/zinc/46/15/28/411461528.db2.gz ZKZBKBZRWJGCCE-SNVBAGLBSA-N 0 1 238.331 2.211 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)[C@H]1CCC[C@@H](C)C1 ZINC000654484660 411404235 /nfs/dbraw/zinc/40/42/35/411404235.db2.gz YERSMSIBTRVSSQ-VOAKCMCISA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)N(C(=O)[C@H](C)N(C)C)C1CC(C)(C)C1 ZINC000654538041 411410425 /nfs/dbraw/zinc/41/04/25/411410425.db2.gz YCBFMZDLMDFDQD-NSHDSACASA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000265335438 411416117 /nfs/dbraw/zinc/41/61/17/411416117.db2.gz UNJBKJOISYOXPZ-LLVKDONJSA-N 0 1 235.331 2.308 20 0 BEADMN C[C@@H](C(=O)NCC(C)(C)C1=CCCC1)N(C)C ZINC000654594529 411417052 /nfs/dbraw/zinc/41/70/52/411417052.db2.gz UAXJIAPVPJRULD-NSHDSACASA-N 0 1 238.375 2.189 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H](C)[C@H](C)C1 ZINC000267691375 411421770 /nfs/dbraw/zinc/42/17/70/411421770.db2.gz SCHUKIISRDPFSV-NXEZZACHSA-N 0 1 237.299 2.154 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@H](C)[C@H](C)C1 ZINC000267691372 411422045 /nfs/dbraw/zinc/42/20/45/411422045.db2.gz SCHUKIISRDPFSV-AOOOYVTPSA-N 0 1 237.299 2.154 20 0 BEADMN CC1(C)C[C@H](Sc2nc(C3CC3)n[nH]2)CO1 ZINC000657242303 411424588 /nfs/dbraw/zinc/42/45/88/411424588.db2.gz DEWUOXWFPAVRKF-QMMMGPOBSA-N 0 1 239.344 2.342 20 0 BEADMN CC1(C)C[C@H](Sc2n[nH]c(C3CC3)n2)CO1 ZINC000657242303 411424590 /nfs/dbraw/zinc/42/45/90/411424590.db2.gz DEWUOXWFPAVRKF-QMMMGPOBSA-N 0 1 239.344 2.342 20 0 BEADMN Cc1nsc(C)c1CN1CCC(C)(O)CC1 ZINC000653569156 411424627 /nfs/dbraw/zinc/42/46/27/411424627.db2.gz FBWLLCTXLCQBCG-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1ccc(CN2CC[C@H](C(F)F)C2)cn1 ZINC000653593752 411428820 /nfs/dbraw/zinc/42/88/20/411428820.db2.gz NNZWDMKCSFVWGP-NSHDSACASA-N 0 1 226.270 2.477 20 0 BEADMN CCc1nnc(SC[C@@H](OC)C2CCC2)[nH]1 ZINC000657239901 411429164 /nfs/dbraw/zinc/42/91/64/411429164.db2.gz WOMGVGQELCWZBN-SECBINFHSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@@H](OC)C2CCC2)n1 ZINC000657239901 411429167 /nfs/dbraw/zinc/42/91/67/411429167.db2.gz WOMGVGQELCWZBN-SECBINFHSA-N 0 1 241.360 2.274 20 0 BEADMN CS[C@H]1CCCCN(Cc2ccn(C)n2)C1 ZINC000271387873 411429536 /nfs/dbraw/zinc/42/95/36/411429536.db2.gz SLPXBLRTNRQPID-LBPRGKRZSA-N 0 1 239.388 2.138 20 0 BEADMN CCCc1cc(C(=O)N2CC(C(C)(C)C)C2)n[nH]1 ZINC000654721885 411435637 /nfs/dbraw/zinc/43/56/37/411435637.db2.gz MAKYLZPLMLVNQJ-UHFFFAOYSA-N 0 1 249.358 2.480 20 0 BEADMN CCCCOCCNCc1nccn1C(C)C ZINC000657334451 411463553 /nfs/dbraw/zinc/46/35/53/411463553.db2.gz ATSIBFJNGADAMX-UHFFFAOYSA-N 0 1 239.363 2.370 20 0 BEADMN C[C@@H]1CC[C@H](NCc2cocn2)CS1 ZINC000655733357 411442039 /nfs/dbraw/zinc/44/20/39/411442039.db2.gz LRMTUVAVWVTNQT-BDAKNGLRSA-N 0 1 212.318 2.048 20 0 BEADMN FC1(F)CC[C@@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655746301 411448299 /nfs/dbraw/zinc/44/82/99/411448299.db2.gz RSJDVFPFTFWLPO-ZJUUUORDSA-N 0 1 241.285 2.495 20 0 BEADMN c1csc(CNCc2cnn3c2CCC3)c1 ZINC000657288208 411448370 /nfs/dbraw/zinc/44/83/70/411448370.db2.gz BMUZHDRPXGYTHQ-UHFFFAOYSA-N 0 1 233.340 2.181 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000659786120 411453790 /nfs/dbraw/zinc/45/37/90/411453790.db2.gz LDNGMFUFMUKFKB-BDAKNGLRSA-N 0 1 237.290 2.320 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1CC=CC1 ZINC000659788788 411454403 /nfs/dbraw/zinc/45/44/03/411454403.db2.gz NEEHFZXOAPPGBN-AVGNSLFASA-N 0 1 235.327 2.138 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC1CC=CC1 ZINC000659788791 411454432 /nfs/dbraw/zinc/45/44/32/411454432.db2.gz NEEHFZXOAPPGBN-XQQFMLRXSA-N 0 1 235.327 2.138 20 0 BEADMN CC(C)n1ccnc1CNC[C@H]1CCCCO1 ZINC000657329644 411467120 /nfs/dbraw/zinc/46/71/20/411467120.db2.gz UCKINMAGUHMFGJ-GFCCVEGCSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@H](C)N1CC(C)C1 ZINC000655003607 411475025 /nfs/dbraw/zinc/47/50/25/411475025.db2.gz ITUMNMCYFRTIKE-RYUDHWBXSA-N 0 1 238.375 2.022 20 0 BEADMN CCc1nc([C@H](C)N(C)Cc2ccoc2)n[nH]1 ZINC000659851880 411476985 /nfs/dbraw/zinc/47/69/85/411476985.db2.gz KCWFXZDIXHHUFN-VIFPVBQESA-N 0 1 234.303 2.153 20 0 BEADMN CCN(Cc1cc(C)nc(C)n1)C[C@H]1CCCO1 ZINC000659863710 411481124 /nfs/dbraw/zinc/48/11/24/411481124.db2.gz VBUVGJHEYQMKFV-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2nc(C)c[nH]2)C1(C)C ZINC000657384371 411489508 /nfs/dbraw/zinc/48/95/08/411489508.db2.gz LSRPVIBELMBFFT-GWCFXTLKSA-N 0 1 237.347 2.011 20 0 BEADMN COc1cc(CN2[C@H](C)CCC[C@@H]2C)on1 ZINC000659912721 411493927 /nfs/dbraw/zinc/49/39/27/411493927.db2.gz XNYNEHQWTYNFJG-AOOOYVTPSA-N 0 1 224.304 2.446 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657494431 411533973 /nfs/dbraw/zinc/53/39/73/411533973.db2.gz OEGVAEHYBGOAAQ-LYWQIFSTSA-N 0 1 245.244 2.107 20 0 BEADMN CCCC1(c2nc([C@@H]3CCCN3)no2)CC1 ZINC000309472905 411497683 /nfs/dbraw/zinc/49/76/83/411497683.db2.gz XLCZNJFUYMIKMF-VIFPVBQESA-N 0 1 221.304 2.326 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(C2(C)CC2)CC1 ZINC000655138183 411502595 /nfs/dbraw/zinc/50/25/95/411502595.db2.gz WUWWHWIDIQVZNZ-JTQLQIEISA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)CC(C)(C)C)N1CC(C)C1 ZINC000655141041 411503723 /nfs/dbraw/zinc/50/37/23/411503723.db2.gz KYAJODZXYFCLKS-NWDGAFQWSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCCCS2)n1 ZINC000657432126 411506044 /nfs/dbraw/zinc/50/60/44/411506044.db2.gz OKRHNKPAPRENMB-SNVBAGLBSA-N 0 1 225.361 2.093 20 0 BEADMN CCCn1nccc1CNC1CC(F)(F)C1 ZINC000657448629 411509900 /nfs/dbraw/zinc/50/99/00/411509900.db2.gz MRDBOWLHOAQUGX-UHFFFAOYSA-N 0 1 229.274 2.180 20 0 BEADMN c1c(CN[C@@H]2CC23CCCC3)nnn1C1CCC1 ZINC000657449326 411510499 /nfs/dbraw/zinc/51/04/99/411510499.db2.gz UTXZRJKMSSLSKU-CYBMUJFWSA-N 0 1 246.358 2.425 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC000655177702 411511583 /nfs/dbraw/zinc/51/15/83/411511583.db2.gz JYVFYZDFTZEIQE-JHJVBQTASA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)=CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657447268 411513630 /nfs/dbraw/zinc/51/36/30/411513630.db2.gz IMKHGLDVYGOEOV-UHFFFAOYSA-N 0 1 242.326 2.323 20 0 BEADMN c1c(CN[C@H]2CC23CCCC3)nn2c1CCC2 ZINC000657448097 411513939 /nfs/dbraw/zinc/51/39/39/411513939.db2.gz HCMGGNJSTZRSEY-ZDUSSCGKSA-N 0 1 231.343 2.252 20 0 BEADMN C[C@H](COCC1CC1)N[C@H]1CCCn2ccnc21 ZINC000655792535 411516114 /nfs/dbraw/zinc/51/61/14/411516114.db2.gz KRKKEPCIZRYTKA-YPMHNXCESA-N 0 1 249.358 2.123 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CSC1(C)C ZINC000657465085 411518772 /nfs/dbraw/zinc/51/87/72/411518772.db2.gz ZEDOECGIIVWULP-JTQLQIEISA-N 0 1 239.388 2.448 20 0 BEADMN CCN1CC[C@@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000659985654 411520065 /nfs/dbraw/zinc/52/00/65/411520065.db2.gz PJZLVOODEOWRQO-ZIAGYGMSSA-N 0 1 244.338 2.054 20 0 BEADMN CO[C@H](CN(C)Cc1cnccn1)C1CCCC1 ZINC000659990783 411521149 /nfs/dbraw/zinc/52/11/49/411521149.db2.gz GYCOOZREFCEMEC-CQSZACIVSA-N 0 1 249.358 2.114 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3CCC[C@H]3C2)[nH]1 ZINC000659998089 411524312 /nfs/dbraw/zinc/52/43/12/411524312.db2.gz MWOAUOKQGRQMJG-DCAQKATOSA-N 0 1 234.347 2.160 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](CC)C2)[nH]1 ZINC000659997564 411524467 /nfs/dbraw/zinc/52/44/67/411524467.db2.gz SSQISNNZWHWQPO-UWVGGRQHSA-N 0 1 222.336 2.160 20 0 BEADMN c1c(CNCC2=CCCCC2)nn2c1CCC2 ZINC000657478060 411525716 /nfs/dbraw/zinc/52/57/16/411525716.db2.gz XEIABEDDTDKCQY-UHFFFAOYSA-N 0 1 231.343 2.419 20 0 BEADMN COCC1(CN[C@H](C)c2cc(C)on2)CC1 ZINC000655816336 411527057 /nfs/dbraw/zinc/52/70/57/411527057.db2.gz VLYRTGPJTVWSLI-SNVBAGLBSA-N 0 1 224.304 2.060 20 0 BEADMN Cc1nc(C)c(CNCCOc2ccccc2)o1 ZINC000311773984 411527492 /nfs/dbraw/zinc/52/74/92/411527492.db2.gz NNUYXYHRQNNFFS-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN CCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000328224427 170024078 /nfs/dbraw/zinc/02/40/78/170024078.db2.gz ZOKHUFOIKTUQLU-AWEZNQCLSA-N 0 1 231.295 2.116 20 0 BEADMN COc1cc(CN(C)CCC2CC2)sn1 ZINC000660116326 411539305 /nfs/dbraw/zinc/53/93/05/411539305.db2.gz GVPTZQXZDXSTHI-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN CC1(NCc2cn(C3CCC3)nn2)CC=CC1 ZINC000657504519 411539336 /nfs/dbraw/zinc/53/93/36/411539336.db2.gz HYHYIOBZDMMMOF-UHFFFAOYSA-N 0 1 232.331 2.201 20 0 BEADMN CC[C@@H](NCc1cocn1)[C@H]1CCCCO1 ZINC000655855630 411539489 /nfs/dbraw/zinc/53/94/89/411539489.db2.gz FPIOCLQHLHGNIF-VXGBXAGGSA-N 0 1 224.304 2.112 20 0 BEADMN CCc1nc([C@H](C)N(C)CCC2CC2)n[nH]1 ZINC000660118019 411539742 /nfs/dbraw/zinc/53/97/42/411539742.db2.gz RYPQINIMBLJDNL-VIFPVBQESA-N 0 1 222.336 2.160 20 0 BEADMN CC[C@H](NCc1nc(C)c[nH]1)[C@H]1CCCCO1 ZINC000657506290 411539996 /nfs/dbraw/zinc/53/99/96/411539996.db2.gz FMACCQMKUJVBBI-NWDGAFQWSA-N 0 1 237.347 2.155 20 0 BEADMN CCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245401711 170032147 /nfs/dbraw/zinc/03/21/47/170032147.db2.gz FMLKNDRALPIKTC-YPMHNXCESA-N 0 1 205.301 2.468 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C[C@@H](C)O)c(C)o1 ZINC000660123250 411540340 /nfs/dbraw/zinc/54/03/40/411540340.db2.gz JCUHUHYXZJTRJG-BXKDBHETSA-N 0 1 238.331 2.027 20 0 BEADMN CCc1nc([C@@H](C)N2CC=C(C)CC2)n[nH]1 ZINC000660128322 411542073 /nfs/dbraw/zinc/54/20/73/411542073.db2.gz UOOSUYPKMCWIOQ-SNVBAGLBSA-N 0 1 220.320 2.080 20 0 BEADMN CCNC(=O)CN([C@H](C)c1ccccc1)C1CC1 ZINC000269649670 170055181 /nfs/dbraw/zinc/05/51/81/170055181.db2.gz UZYYEQXQJYSWCT-GFCCVEGCSA-N 0 1 246.354 2.348 20 0 BEADMN CCNC(=O)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000035138803 170064751 /nfs/dbraw/zinc/06/47/51/170064751.db2.gz BBXLYJJXHOUHIG-VIFPVBQESA-N 0 1 240.734 2.127 20 0 BEADMN CCNC(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000015155795 170069865 /nfs/dbraw/zinc/06/98/65/170069865.db2.gz GBRCHDOHVOUUNH-UHFFFAOYSA-N 0 1 249.339 2.100 20 0 BEADMN CC[C@H](N[C@@H]1CCn2ccnc21)[C@@H]1CCCCO1 ZINC000655847146 411535894 /nfs/dbraw/zinc/53/58/94/411535894.db2.gz RFZFWPAURXDDIT-XQQFMLRXSA-N 0 1 249.358 2.265 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000035138387 170087689 /nfs/dbraw/zinc/08/76/89/170087689.db2.gz MIHDZLWOBYPPHU-VHSXEESVSA-N 0 1 238.306 2.001 20 0 BEADMN CC[C@@H](NCc1cocn1)[C@@H]1CCCCO1 ZINC000655855625 411538226 /nfs/dbraw/zinc/53/82/26/411538226.db2.gz FPIOCLQHLHGNIF-NEPJUHHUSA-N 0 1 224.304 2.112 20 0 BEADMN CC[C@H](COCC1CC1)NCc1nccs1 ZINC000657560436 411551384 /nfs/dbraw/zinc/55/13/84/411551384.db2.gz HPIBVJMAGBBCDR-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN CC(C)CCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000657569409 411553671 /nfs/dbraw/zinc/55/36/71/411553671.db2.gz MPPQZRJUZRSIGG-QWRGUYRKSA-N 0 1 222.336 2.310 20 0 BEADMN CCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000309674140 170160288 /nfs/dbraw/zinc/16/02/88/170160288.db2.gz XCQJDDKZVGWDSU-MRVPVSSYSA-N 0 1 242.344 2.299 20 0 BEADMN CC(C)(C)n1cc(CN2CCC3(CC3)CC2)nn1 ZINC000660145289 411545539 /nfs/dbraw/zinc/54/55/39/411545539.db2.gz REBJYLIVOKKJBL-UHFFFAOYSA-N 0 1 248.374 2.409 20 0 BEADMN Cc1nc(CN2CC[C@H](C)[C@@H](C)C2)co1 ZINC000660157724 411548457 /nfs/dbraw/zinc/54/84/57/411548457.db2.gz LKLMTZLMENOADW-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN CCOC(=O)CCN[C@H](C)c1ncc(C)s1 ZINC000126089733 170210042 /nfs/dbraw/zinc/21/00/42/170210042.db2.gz UPSXTKRTCFVGJP-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN CCOC(=O)CN(C)C[C@@H](C)CC(C)C ZINC000308741761 170214843 /nfs/dbraw/zinc/21/48/43/170214843.db2.gz HPWUKHZBTNWDEJ-NSHDSACASA-N 0 1 215.337 2.164 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000308425612 170247032 /nfs/dbraw/zinc/24/70/32/170247032.db2.gz WCNIURZNBCXQHB-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)[C@@H](CC)N(CC1CC1)C1CC1 ZINC000082761141 170250285 /nfs/dbraw/zinc/25/02/85/170250285.db2.gz DGDMUOMMRYWYCA-GFCCVEGCSA-N 0 1 225.332 2.203 20 0 BEADMN OC/C=C\CNCc1ccc(Cl)cc1F ZINC000657593609 411559108 /nfs/dbraw/zinc/55/91/08/411559108.db2.gz IWXGCATUVURZHW-UPHRSURJSA-N 0 1 229.682 2.117 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNC/C=C/CO)o1 ZINC000657593217 411559337 /nfs/dbraw/zinc/55/93/37/411559337.db2.gz QFZJZTJZFVUKRO-RXUHEVMZSA-N 0 1 221.300 2.041 20 0 BEADMN OC/C=C\CNCc1cscc1Cl ZINC000657594186 411559686 /nfs/dbraw/zinc/55/96/86/411559686.db2.gz ZTFRIEKFGUGAHY-UPHRSURJSA-N 0 1 217.721 2.040 20 0 BEADMN CC[C@@H](NCc1coc(C)n1)[C@@H]1CCCO1 ZINC000660260096 411561453 /nfs/dbraw/zinc/56/14/53/411561453.db2.gz SESHSGCDOGENGU-NEPJUHHUSA-N 0 1 224.304 2.030 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC2(CCC2)C1 ZINC000123622116 170271102 /nfs/dbraw/zinc/27/11/02/170271102.db2.gz UNONSUQRJLJCLW-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN Cc1nnc([C@@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660270414 411563272 /nfs/dbraw/zinc/56/32/72/411563272.db2.gz BGYLWWOYQYDNDM-CZULRBLNSA-N 0 1 221.304 2.075 20 0 BEADMN CCOC(=O)[C@H]1CCCN1[C@H]1C=CCCC1 ZINC000128512342 170281590 /nfs/dbraw/zinc/28/15/90/170281590.db2.gz NVOVPKPRPKHGOC-NWDGAFQWSA-N 0 1 223.316 2.123 20 0 BEADMN CCOC1(CN[C@@H]2CCn3ccnc32)CCCC1 ZINC000345359820 170320153 /nfs/dbraw/zinc/32/01/53/170320153.db2.gz YKGIIOYAWUCOLM-GFCCVEGCSA-N 0 1 249.358 2.267 20 0 BEADMN CC[C@@H](CN[C@@H](C)c1ncn(C)n1)CC(F)F ZINC000660370443 411573602 /nfs/dbraw/zinc/57/36/02/411573602.db2.gz CVQYZWNLHCQSRE-DTWKUNHWSA-N 0 1 246.305 2.147 20 0 BEADMN CCOC1CC(N(C)Cc2cncc(F)c2)C1 ZINC000286933005 170327401 /nfs/dbraw/zinc/32/74/01/170327401.db2.gz LJKQTSIGPKISFB-UHFFFAOYSA-N 0 1 238.306 2.220 20 0 BEADMN CCOC1CC(Sc2nc(C3CC3)n[nH]2)C1 ZINC000330279911 170331387 /nfs/dbraw/zinc/33/13/87/170331387.db2.gz RTESGEIGOOHRIN-UHFFFAOYSA-N 0 1 239.344 2.342 20 0 BEADMN CCOC1CC(Sc2n[nH]c(C3CC3)n2)C1 ZINC000330279911 170331388 /nfs/dbraw/zinc/33/13/88/170331388.db2.gz RTESGEIGOOHRIN-UHFFFAOYSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@]1(CCNCc2cocn2)CC1(F)F ZINC000657671288 411575073 /nfs/dbraw/zinc/57/50/73/411575073.db2.gz SKCAAOOBHONBHZ-VIFPVBQESA-N 0 1 216.231 2.200 20 0 BEADMN c1cc(CCNCc2cscn2)co1 ZINC000657652401 411569880 /nfs/dbraw/zinc/56/98/80/411569880.db2.gz LANWCGSUGVGXCF-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN Cc1nc(CN2CC[C@H]3CCC[C@@H]32)co1 ZINC000660332087 411570384 /nfs/dbraw/zinc/57/03/84/411570384.db2.gz GAFJQPUOXOOTDC-PWSUYJOCSA-N 0 1 206.289 2.357 20 0 BEADMN CCOCCN(C)Cc1ccc(Cl)o1 ZINC000354750155 170389875 /nfs/dbraw/zinc/38/98/75/170389875.db2.gz NHNBZOYJMHDSKK-UHFFFAOYSA-N 0 1 217.696 2.401 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663315425 411623267 /nfs/dbraw/zinc/62/32/67/411623267.db2.gz VSBQRECEBVBVBQ-CLLJXQQHSA-N 0 1 239.359 2.465 20 0 BEADMN CCOCCN(CC)Cc1c(CC)noc1C ZINC000119046163 170394195 /nfs/dbraw/zinc/39/41/95/170394195.db2.gz NADCADXJNZXMSY-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN CCOCCN(CC)Cc1ccc(F)cn1 ZINC000276381778 170396722 /nfs/dbraw/zinc/39/67/22/170396722.db2.gz QPFHWRLXTNCEQN-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN CCN(C)C(=O)CNCc1cccc(C(C)C)c1 ZINC000663321071 411623793 /nfs/dbraw/zinc/62/37/93/411623793.db2.gz AQKGYIXDLAYNDL-UHFFFAOYSA-N 0 1 248.370 2.378 20 0 BEADMN FCCOCCNCc1c(F)cccc1F ZINC000663341869 411631179 /nfs/dbraw/zinc/63/11/79/411631179.db2.gz MFJTVBFWCHNWAC-UHFFFAOYSA-N 0 1 233.233 2.041 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1coc(C)n1)C1CC1 ZINC000660803266 411637132 /nfs/dbraw/zinc/63/71/32/411637132.db2.gz KIYSEJKHVREZBX-RNCFNFMXSA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@](C)([C@H](C)NCc1coc(C)n1)C1CC1 ZINC000660803268 411638086 /nfs/dbraw/zinc/63/80/86/411638086.db2.gz KIYSEJKHVREZBX-TVQRCGJNSA-N 0 1 238.331 2.276 20 0 BEADMN COC1([C@H](C)NCc2nc(C)oc2C)CCC1 ZINC000660804202 411638677 /nfs/dbraw/zinc/63/86/77/411638677.db2.gz DEIOPKGOVHGDRK-JTQLQIEISA-N 0 1 238.331 2.339 20 0 BEADMN Cc1nc(CN(C)[C@H]2CC[C@H](O)CC2)c(C)o1 ZINC000660376894 411576154 /nfs/dbraw/zinc/57/61/54/411576154.db2.gz GZXMAMKLAQNYRX-HAQNSBGRSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC[C@@H](C)O2)cs1 ZINC000657665044 411577084 /nfs/dbraw/zinc/57/70/84/411577084.db2.gz NNEVNZOTGUEQCE-SKDRFNHKSA-N 0 1 240.372 2.499 20 0 BEADMN Cc1n[nH]cc1CN[C@H]1CCc2ccc(O)cc21 ZINC000657694625 411581067 /nfs/dbraw/zinc/58/10/67/411581067.db2.gz ULFIUBZAMBRPHO-AWEZNQCLSA-N 0 1 243.310 2.201 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1cc(C2CC2)no1 ZINC000660414015 411581237 /nfs/dbraw/zinc/58/12/37/411581237.db2.gz NWKVXLZSYIMSMR-TVQRCGJNSA-N 0 1 236.315 2.209 20 0 BEADMN CC[C@H](CC(F)F)CN1CCOC[C@H]1C ZINC000660422601 411582870 /nfs/dbraw/zinc/58/28/70/411582870.db2.gz GIGFFUJRBNNZDX-NXEZZACHSA-N 0 1 221.291 2.389 20 0 BEADMN C1=CCC(CN2Cc3cccnc3C2)C1 ZINC000660462951 411588678 /nfs/dbraw/zinc/58/86/78/411588678.db2.gz WMQIXZBZXARBHJ-UHFFFAOYSA-N 0 1 200.285 2.363 20 0 BEADMN CC(C)(C)n1cc(CN[C@]2(C)CC2(C)C)nn1 ZINC000657761287 411590907 /nfs/dbraw/zinc/59/09/07/411590907.db2.gz INIOBFPDUMBZJQ-CYBMUJFWSA-N 0 1 236.363 2.311 20 0 BEADMN c1c(CNCC2=CCCC2)nn2c1CCC2 ZINC000657749897 411592422 /nfs/dbraw/zinc/59/24/22/411592422.db2.gz SLVNWEXSTPXIIT-UHFFFAOYSA-N 0 1 217.316 2.029 20 0 BEADMN Cc1noc(C(C)(C)NC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660496174 411594294 /nfs/dbraw/zinc/59/42/94/411594294.db2.gz NFUUDQYYVTYRGH-JGPRNRPPSA-N 0 1 235.331 2.249 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cncc(F)c1 ZINC000657789475 411596518 /nfs/dbraw/zinc/59/65/18/411596518.db2.gz FRXNAEORHJXHFZ-AXTRIDKLSA-N 0 1 224.279 2.049 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1ccc(F)c(F)c1F ZINC000657790467 411597400 /nfs/dbraw/zinc/59/74/00/411597400.db2.gz RBNCCCQRZZGVHV-SKDRFNHKSA-N 0 1 245.244 2.371 20 0 BEADMN CCN1CCN(Cc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660537635 411597535 /nfs/dbraw/zinc/59/75/35/411597535.db2.gz LVVGPGYYGSBVDV-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN CC/C=C/CCN1CCn2cncc2C1 ZINC000660581775 411602016 /nfs/dbraw/zinc/60/20/16/411602016.db2.gz JICWLVPKUKUEIZ-ONEGZZNKSA-N 0 1 205.305 2.055 20 0 BEADMN O[C@H]1C[C@H](NCc2cscc2Cl)C1 ZINC000657809895 411602567 /nfs/dbraw/zinc/60/25/67/411602567.db2.gz SZYVNTLUDJUWJC-ZKCHVHJHSA-N 0 1 217.721 2.014 20 0 BEADMN C[C@@H](O)[C@H](NCc1ccccn1)c1ccccc1 ZINC000657814146 411604125 /nfs/dbraw/zinc/60/41/25/411604125.db2.gz DBODQRHFNFSNPJ-DOMZBBRYSA-N 0 1 242.322 2.293 20 0 BEADMN c1n[nH]cc1CN1CCC=C(c2ccccn2)C1 ZINC000660629182 411609679 /nfs/dbraw/zinc/60/96/79/411609679.db2.gz RREHACOILNHVKK-UHFFFAOYSA-N 0 1 240.310 2.094 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnc2ccccc2n1 ZINC000660640257 411611115 /nfs/dbraw/zinc/61/11/15/411611115.db2.gz OJSRNUNDPVVRPP-WDEREUQCSA-N 0 1 227.311 2.470 20 0 BEADMN Cc1cc(CNC2CC(CF)(CF)C2)no1 ZINC000657849476 411611851 /nfs/dbraw/zinc/61/18/51/411611851.db2.gz AUANIQDLIANVBI-UHFFFAOYSA-N 0 1 230.258 2.160 20 0 BEADMN Cc1occc1CN[C@@H]1CCCn2nccc21 ZINC000657858519 411612729 /nfs/dbraw/zinc/61/27/29/411612729.db2.gz ZXWWDYFEVGJPCE-GFCCVEGCSA-N 0 1 231.299 2.409 20 0 BEADMN CC(C)c1cccc(CN2CCOC[C@@H](O)C2)c1 ZINC000660669890 411616581 /nfs/dbraw/zinc/61/65/81/411616581.db2.gz SMWKXUOTXXWAQW-HNNXBMFYSA-N 0 1 249.354 2.003 20 0 BEADMN COC[C@H]1CCCCN1Cc1cc(C)nc(C)n1 ZINC000660754746 411621245 /nfs/dbraw/zinc/62/12/45/411621245.db2.gz KJRVNDVBMSPSPG-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN CC12CC(C1)C[N@H+]2[C@@H](C(=O)[O-])c1ccsc1 ZINC000663316495 411623002 /nfs/dbraw/zinc/62/30/02/411623002.db2.gz YFOKUPIVXAYWKP-KRBLXSNTSA-N 0 1 237.324 2.358 20 0 BEADMN CC[C@@H](C)N(CC)Cc1cc(C(C)=O)no1 ZINC000661102890 411706550 /nfs/dbraw/zinc/70/65/50/411706550.db2.gz BQRAMGDRSYZHCC-SECBINFHSA-N 0 1 224.304 2.498 20 0 BEADMN Cc1nc(CN2CC[C@@H](c3cccnc3)C2)co1 ZINC000660903041 411665493 /nfs/dbraw/zinc/66/54/93/411665493.db2.gz UMCFLKADKFOIHZ-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CCn1nccc1CN[C@H](C)c1cncc(C)c1 ZINC000663470021 411666285 /nfs/dbraw/zinc/66/62/85/411666285.db2.gz MSEZKVLBQMENOG-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1nc(C)oc1C ZINC000660911710 411669576 /nfs/dbraw/zinc/66/95/76/411669576.db2.gz IVIUDHOIBSFHLY-TVQRCGJNSA-N 0 1 240.347 2.178 20 0 BEADMN CC[C@H](NCc1coc(C)n1)[C@@H]1CCCCO1 ZINC000660926835 411677292 /nfs/dbraw/zinc/67/72/92/411677292.db2.gz SYGNXVGLPJYCRR-STQMWFEESA-N 0 1 238.331 2.420 20 0 BEADMN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)nc1 ZINC000660932922 411681079 /nfs/dbraw/zinc/68/10/79/411681079.db2.gz HEHZSBOPCCKMSH-FZMZJTMJSA-N 0 1 232.327 2.465 20 0 BEADMN COc1ccncc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660931443 411681605 /nfs/dbraw/zinc/68/16/05/411681605.db2.gz NDVZYCMZUBGZRZ-AAEUAGOBSA-N 0 1 232.327 2.465 20 0 BEADMN CN(CCC(=O)c1ccccc1)Cc1cnc[nH]1 ZINC000661089241 411699590 /nfs/dbraw/zinc/69/95/90/411699590.db2.gz ZAANWAYHOBDQRM-UHFFFAOYSA-N 0 1 243.310 2.115 20 0 BEADMN CCCc1nc(C)c(CN(C)Cc2cnc[nH]2)o1 ZINC000661090584 411702884 /nfs/dbraw/zinc/70/28/84/411702884.db2.gz RITZGTZEDQKMNM-UHFFFAOYSA-N 0 1 248.330 2.291 20 0 BEADMN CCOc1cccc(CN2CCCOCC2)c1 ZINC000372433592 170576452 /nfs/dbraw/zinc/57/64/52/170576452.db2.gz LNLPPQNFMIZBBA-UHFFFAOYSA-N 0 1 235.327 2.308 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCO[C@@](C)(C3CC3)C2)O1 ZINC000661170495 411728975 /nfs/dbraw/zinc/72/89/75/411728975.db2.gz XIMZLNRUNJOEMF-KWCYVHTRSA-N 0 1 239.359 2.055 20 0 BEADMN Cc1ccc2c(c1)CN(Cc1cn[nH]c1)CC2 ZINC000661371108 411756343 /nfs/dbraw/zinc/75/63/43/411756343.db2.gz DMPQRVVZHGULTK-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN Cc1nc(CN2CCC(C3CCC3)CC2)n[nH]1 ZINC000661375391 411758102 /nfs/dbraw/zinc/75/81/02/411758102.db2.gz ZFDHXOGGRNCIFN-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN c1nc(C[NH+]2CCC(C3CCC3)CC2)c[nH]1 ZINC000661375020 411758834 /nfs/dbraw/zinc/75/88/34/411758834.db2.gz RWBYBLGKBUTVIU-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN c1nc(CN2CCC(C3CCC3)CC2)c[nH]1 ZINC000661375020 411758837 /nfs/dbraw/zinc/75/88/37/411758837.db2.gz RWBYBLGKBUTVIU-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCc1cccnc1 ZINC000661462285 411780407 /nfs/dbraw/zinc/78/04/07/411780407.db2.gz HRPFZCZRQQVZBZ-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CC(C)OCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661467863 411782542 /nfs/dbraw/zinc/78/25/42/411782542.db2.gz SXIRTTUHMYSPOK-ZDUSSCGKSA-N 0 1 241.375 2.445 20 0 BEADMN CCOCCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661468924 411783705 /nfs/dbraw/zinc/78/37/05/411783705.db2.gz YRYNFMIBKJPJEP-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CC(C)[C@@H](NCc1c[nH]nn1)c1ccccc1F ZINC000661482741 411785865 /nfs/dbraw/zinc/78/58/65/411785865.db2.gz CECLNBPMKKTWQS-CYBMUJFWSA-N 0 1 248.305 2.431 20 0 BEADMN C[C@]1(C2CC2)CN(CCc2ccccn2)CCO1 ZINC000661168240 411727171 /nfs/dbraw/zinc/72/71/71/411727171.db2.gz STWUEGJBGHEEHZ-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CC(C)(C)OCCN1CCO[C@](C)(C2CC2)C1 ZINC000661171493 411727745 /nfs/dbraw/zinc/72/77/45/411727745.db2.gz WODUBYSVSXOCPI-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cc(CN2CCC[C@H](CCF)C2)nn1C ZINC000661688712 411839164 /nfs/dbraw/zinc/83/91/64/411839164.db2.gz KXXFEVZTYIIIAF-GFCCVEGCSA-N 0 1 239.338 2.300 20 0 BEADMN C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661714223 411853586 /nfs/dbraw/zinc/85/35/86/411853586.db2.gz UQCUPOOJLXRYIL-VHRBIJSZSA-N 0 1 235.302 2.343 20 0 BEADMN CCOc1ccccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661713275 411854575 /nfs/dbraw/zinc/85/45/75/411854575.db2.gz IFHARWHZPFGYEF-DZGCQCFKSA-N 0 1 247.338 2.042 20 0 BEADMN CC(C)c1nsc(N(C)Cc2cnc[nH]2)n1 ZINC000664127856 411863049 /nfs/dbraw/zinc/86/30/49/411863049.db2.gz SOSHFDBILIHHTC-UHFFFAOYSA-N 0 1 237.332 2.021 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nccc(N)n2)C1 ZINC000661859671 411904140 /nfs/dbraw/zinc/90/41/40/411904140.db2.gz CJAJJWQBXLYWFT-GHMZBOCLSA-N 0 1 234.347 2.069 20 0 BEADMN CCCN(Cc1c[nH]nn1)Cc1ccccc1F ZINC000661859793 411906458 /nfs/dbraw/zinc/90/64/58/411906458.db2.gz GPOACUROVURFHS-UHFFFAOYSA-N 0 1 248.305 2.356 20 0 BEADMN Cc1nocc1CN1CCC2(CCCC2=O)CC1 ZINC000661961384 411920951 /nfs/dbraw/zinc/92/09/51/411920951.db2.gz NLFXRRHWXVKTSG-UHFFFAOYSA-N 0 1 248.326 2.318 20 0 BEADMN Cn1c2ccccc2nc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661968829 411925441 /nfs/dbraw/zinc/92/54/41/411925441.db2.gz HTSUJAFNDOHNOG-VXGBXAGGSA-N 0 1 241.338 2.415 20 0 BEADMN FC(F)n1ccnc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661971172 411927791 /nfs/dbraw/zinc/92/77/91/411927791.db2.gz IDOCQADCJMSLNQ-RKDXNWHRSA-N 0 1 227.258 2.120 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H](CC)C2CC2)n1 ZINC000661759776 411869382 /nfs/dbraw/zinc/86/93/82/411869382.db2.gz ABDNORSSWUKGOB-NSHDSACASA-N 0 1 235.331 2.023 20 0 BEADMN CC[C@H](NCc1nc([C@@H](C)OC)no1)C1CC1 ZINC000661757309 411869874 /nfs/dbraw/zinc/86/98/74/411869874.db2.gz BZYRHJOWGHLWAQ-SCZZXKLOSA-N 0 1 239.319 2.055 20 0 BEADMN CC[C@H](NCc1nnc(C2CC2)o1)C1CC1 ZINC000661759130 411870457 /nfs/dbraw/zinc/87/04/57/411870457.db2.gz UCBZSAANHQKATR-JTQLQIEISA-N 0 1 221.304 2.225 20 0 BEADMN CC[C@@H](NCc1nnc(C2CC2)o1)C1CC1 ZINC000661759131 411871478 /nfs/dbraw/zinc/87/14/78/411871478.db2.gz UCBZSAANHQKATR-SNVBAGLBSA-N 0 1 221.304 2.225 20 0 BEADMN Cc1nccc(N[C@@H](CO)C2CCC2)c1Cl ZINC000664170653 411877274 /nfs/dbraw/zinc/87/72/74/411877274.db2.gz HRICKLSOWDHNFE-NSHDSACASA-N 0 1 240.734 2.038 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccc(F)cc1F ZINC000661766439 411878932 /nfs/dbraw/zinc/87/89/32/411878932.db2.gz YKDYECOYWVLWMG-TVQRCGJNSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000661772702 411882978 /nfs/dbraw/zinc/88/29/78/411882978.db2.gz UNYUFWGVIHJIEA-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000661772702 411882980 /nfs/dbraw/zinc/88/29/80/411882980.db2.gz UNYUFWGVIHJIEA-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2nncn2C)CC1 ZINC000662065729 411968439 /nfs/dbraw/zinc/96/84/39/411968439.db2.gz AIDGCZRRPIKRHE-JTQLQIEISA-N 0 1 222.336 2.044 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+]C2(CC(C)C)CC2)n1 ZINC000662072876 411974267 /nfs/dbraw/zinc/97/42/67/411974267.db2.gz VNUDDBBFMPLRHI-UHFFFAOYSA-N 0 1 249.358 2.413 20 0 BEADMN CC[C@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662093393 411986193 /nfs/dbraw/zinc/98/61/93/411986193.db2.gz RTRIYAWLZIUBRK-JTQLQIEISA-N 0 1 221.300 2.385 20 0 BEADMN CCCCCN1CCc2nccnc2C1 ZINC000662120571 411992410 /nfs/dbraw/zinc/99/24/10/411992410.db2.gz FYIRVVXPVFSETC-UHFFFAOYSA-N 0 1 205.305 2.025 20 0 BEADMN c1nc(C[N@H+](CCC2CC2)CC2CC2)c[nH]1 ZINC000662178625 412021189 /nfs/dbraw/zinc/02/11/89/412021189.db2.gz YYKICWAFOORQJV-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccnc1 ZINC000662226323 412024436 /nfs/dbraw/zinc/02/44/36/412024436.db2.gz ONNNQVRUWDCXBV-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662212507 412027341 /nfs/dbraw/zinc/02/73/41/412027341.db2.gz BPVLVVTZRPPIPD-RNJOBUHISA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820003 412027759 /nfs/dbraw/zinc/02/77/59/412027759.db2.gz NNPZSCCNEYDWMF-YPMHNXCESA-N 0 1 234.343 2.235 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662213425 412027761 /nfs/dbraw/zinc/02/77/61/412027761.db2.gz XCQBFQNRDYFAMC-NJMOYASZSA-N 0 1 237.343 2.218 20 0 BEADMN CC[N@@H+](CCCC1CCC1)[C@H](C)C(=O)[O-] ZINC000662216273 412028784 /nfs/dbraw/zinc/02/87/84/412028784.db2.gz NUWJKVYUZPIUTJ-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)[O-] ZINC000662216519 412029144 /nfs/dbraw/zinc/02/91/44/412029144.db2.gz PNPBYFQWZVDEIH-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)C(=O)[O-] ZINC000662217530 412029614 /nfs/dbraw/zinc/02/96/14/412029614.db2.gz VPQRQQQNDDJYSS-GHMZBOCLSA-N 0 1 215.337 2.464 20 0 BEADMN CC[N@@H+](Cc1sc(C)nc1C)[C@H](C)C(=O)[O-] ZINC000662216567 412030232 /nfs/dbraw/zinc/03/02/32/412030232.db2.gz PWHJHQMVFPNTTI-MRVPVSSYSA-N 0 1 242.344 2.055 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662229942 412032352 /nfs/dbraw/zinc/03/23/52/412032352.db2.gz ODQFAJODFRZFKF-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000120276436 170994985 /nfs/dbraw/zinc/99/49/85/170994985.db2.gz HXYBRBSJAOPZGJ-NEPJUHHUSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000176630874 171006485 /nfs/dbraw/zinc/00/64/85/171006485.db2.gz ZJDGADVSWJQPKO-SECBINFHSA-N 0 1 233.315 2.159 20 0 BEADMN CC[C@@H]1CCN1CC(=O)N[C@@H](C)c1ccccc1 ZINC000292438038 171022827 /nfs/dbraw/zinc/02/28/27/171022827.db2.gz OFRRLCJDNNOZKX-GXTWGEPZSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc(COC)o1 ZINC000292824757 171023803 /nfs/dbraw/zinc/02/38/03/171023803.db2.gz QKWLQQRNCPORIB-SNVBAGLBSA-N 0 1 209.289 2.410 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc2c(c1)NC(=O)CO2 ZINC000294009159 171024974 /nfs/dbraw/zinc/02/49/74/171024974.db2.gz UCCCKFCCSHVKHB-LLVKDONJSA-N 0 1 246.310 2.002 20 0 BEADMN CC[C@@H]1CCN1Cc1cncc(OC)c1 ZINC000292306853 171025088 /nfs/dbraw/zinc/02/50/88/171025088.db2.gz DORDXMLUVGCBSS-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN CC[C@@H]1CCN1Cc1cnn(CC(F)F)c1 ZINC000293901458 171025771 /nfs/dbraw/zinc/02/57/71/171025771.db2.gz LEFMHCDHEHDRER-SNVBAGLBSA-N 0 1 229.274 2.133 20 0 BEADMN CC[C@@H]1CCN1Cc1cnn(C(C)C)c1 ZINC000292888438 171025791 /nfs/dbraw/zinc/02/57/91/171025791.db2.gz YPKGPNCFEFFRLA-GFCCVEGCSA-N 0 1 207.321 2.448 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C)[nH]n1 ZINC000271388227 171036697 /nfs/dbraw/zinc/03/66/97/171036697.db2.gz GWEHZCHSSOOXQN-NXEZZACHSA-N 0 1 221.304 2.121 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)CN(CC)C1CC1 ZINC000357761430 171050966 /nfs/dbraw/zinc/05/09/66/171050966.db2.gz LRQVCWYPYUBNRF-NWDGAFQWSA-N 0 1 238.375 2.260 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)C1=CCCC1 ZINC000335576357 171075492 /nfs/dbraw/zinc/07/54/92/171075492.db2.gz ZDIYTCRUUVHFPX-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@@H]1CN(CC2CCC2)C[C@@H](C)[S@@]1=O ZINC000352868377 171078512 /nfs/dbraw/zinc/07/85/12/171078512.db2.gz LRTNGXAZNRULIA-HCKVZZMMSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(CCc2ccccn2)C[C@H](C)O1 ZINC000111274141 171085017 /nfs/dbraw/zinc/08/50/17/171085017.db2.gz NQIBYTJBNHKVCJ-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1COCCN1Cc1ccccc1 ZINC000115577814 171105938 /nfs/dbraw/zinc/10/59/38/171105938.db2.gz YCORPOVSMZYFCG-CYBMUJFWSA-N 0 1 205.301 2.297 20 0 BEADMN CC[C@@H]1COCCN1CCSC(C)C ZINC000336685023 171107084 /nfs/dbraw/zinc/10/70/84/171107084.db2.gz KDHSSWZGLUFWNB-LLVKDONJSA-N 0 1 217.378 2.239 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C[C@H]1CCC(C)(C)O1 ZINC000359838695 171113317 /nfs/dbraw/zinc/11/33/17/171113317.db2.gz FHAFLDQHHGWVCX-JHJVBQTASA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@@H]1C[C@H]1N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000280690812 171142326 /nfs/dbraw/zinc/14/23/26/171142326.db2.gz ROCQLSQRMPIWDH-BNOWGMLFSA-N 0 1 246.354 2.204 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc(C)s1 ZINC000336413702 171160093 /nfs/dbraw/zinc/16/00/93/171160093.db2.gz OSOTWTVZZZEPDC-PSASIEDQSA-N 0 1 225.361 2.467 20 0 BEADMN CC[C@@](C)(O)CNCc1c(F)cccc1F ZINC000082687244 171182857 /nfs/dbraw/zinc/18/28/57/171182857.db2.gz LKALODHCMYMPQG-GFCCVEGCSA-N 0 1 229.270 2.215 20 0 BEADMN CC[C@@](C)(OC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000170229752 171191881 /nfs/dbraw/zinc/19/18/81/171191881.db2.gz BHHNEBBUTDVPCC-CYBMUJFWSA-N 0 1 247.298 2.317 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccncc2Cl)C1 ZINC000336107768 171213955 /nfs/dbraw/zinc/21/39/55/171213955.db2.gz YFJRPVQCTBLWPD-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@]1(O)CCN(c2ccnc(C)c2Cl)C1 ZINC000336561139 171215208 /nfs/dbraw/zinc/21/52/08/171215208.db2.gz YCTRTWSUVHZNFA-GFCCVEGCSA-N 0 1 240.734 2.395 20 0 BEADMN CC[C@H](C(=O)N(C)CC)N(C)Cc1ccccc1 ZINC000339246741 171221305 /nfs/dbraw/zinc/22/13/05/171221305.db2.gz QRDMJAZAUPHZMW-CQSZACIVSA-N 0 1 248.370 2.375 20 0 BEADMN CC[C@H](C(=O)Nc1cc(Cl)ccn1)N(C)C ZINC000360555895 171233725 /nfs/dbraw/zinc/23/37/25/171233725.db2.gz DINCNNZJBDLQGU-SECBINFHSA-N 0 1 241.722 2.014 20 0 BEADMN CC[C@H](C(=O)Nc1cscc1C)N(C)C ZINC000151185626 171235612 /nfs/dbraw/zinc/23/56/12/171235612.db2.gz VSDTXNXQGVHDCB-SNVBAGLBSA-N 0 1 226.345 2.335 20 0 BEADMN CC[C@H](C(=O)Nc1cccc(F)c1C)N(C)C ZINC000119992468 171235666 /nfs/dbraw/zinc/23/56/66/171235666.db2.gz NWAFCVURTCRUCQ-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(N)=O)N1CCC[C@@H]1c1ccsc1 ZINC000339139681 171242788 /nfs/dbraw/zinc/24/27/88/171242788.db2.gz IAARFDURTAATLN-GHMZBOCLSA-N 0 1 238.356 2.149 20 0 BEADMN CC[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268708420 171256140 /nfs/dbraw/zinc/25/61/40/171256140.db2.gz CLAPTXXUSHMNAS-YFKPBYRVSA-N 0 1 235.209 2.413 20 0 BEADMN CC[C@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000297217295 171260680 /nfs/dbraw/zinc/26/06/80/171260680.db2.gz MMEVANOLGSLPJG-NSHDSACASA-N 0 1 245.326 2.387 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000189534373 171261321 /nfs/dbraw/zinc/26/13/21/171261321.db2.gz YMUWGFUPUFXBIF-UWVGGRQHSA-N 0 1 237.347 2.202 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000354470106 171264838 /nfs/dbraw/zinc/26/48/38/171264838.db2.gz OEFYLQRCYLENIS-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000354470104 171265072 /nfs/dbraw/zinc/26/50/72/171265072.db2.gz OEFYLQRCYLENIS-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1cc(C)[nH]n1 ZINC000176661090 171277341 /nfs/dbraw/zinc/27/73/41/171277341.db2.gz UNIKCTDICKIKKU-VIFPVBQESA-N 0 1 223.320 2.226 20 0 BEADMN CC[C@H](C)C[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340220748 171279714 /nfs/dbraw/zinc/27/97/14/171279714.db2.gz ZYNNHIKYSHCIRL-VIFPVBQESA-N 0 1 239.319 2.001 20 0 BEADMN CC[C@H](C)CON=C([O-])Nc1cc[nH+]c(C)c1 ZINC000297897284 171290216 /nfs/dbraw/zinc/29/02/16/171290216.db2.gz XHJBABODGQNEDF-VIFPVBQESA-N 0 1 237.303 2.489 20 0 BEADMN CC[C@H](C)N(C)CC(=O)OC(C)(C)C ZINC000104686977 171304523 /nfs/dbraw/zinc/30/45/23/171304523.db2.gz GYKKOFQYILSHOA-VIFPVBQESA-N 0 1 201.310 2.058 20 0 BEADMN CC[C@H](C)[N@@H+](CC[C@H](C)F)CC(=O)OC ZINC000352422754 171315322 /nfs/dbraw/zinc/31/53/22/171315322.db2.gz UWEWNRDJVULGTH-UWVGGRQHSA-N 0 1 219.300 2.008 20 0 BEADMN CC[C@H](C)N(CC[C@H](C)F)CC(=O)OC ZINC000352422754 171315324 /nfs/dbraw/zinc/31/53/24/171315324.db2.gz UWEWNRDJVULGTH-UWVGGRQHSA-N 0 1 219.300 2.008 20 0 BEADMN CC[C@H](C)N1CCN(c2ncc(C)s2)CC1 ZINC000273060476 171318675 /nfs/dbraw/zinc/31/86/75/171318675.db2.gz IYXIHBPZTORQCH-JTQLQIEISA-N 0 1 239.388 2.372 20 0 BEADMN CC[C@H](C)N1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352894149 171320222 /nfs/dbraw/zinc/32/02/22/171320222.db2.gz RHGNMOMTQSZRBI-RMIALFOJSA-N 0 1 217.378 2.016 20 0 BEADMN CC[C@H](C)N1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352894147 171320600 /nfs/dbraw/zinc/32/06/00/171320600.db2.gz RHGNMOMTQSZRBI-DYNIEEOBSA-N 0 1 217.378 2.016 20 0 BEADMN CC[C@H](C)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732525 171337080 /nfs/dbraw/zinc/33/70/80/171337080.db2.gz TZEKUFRAQUWVSW-QMMMGPOBSA-N 0 1 231.299 2.400 20 0 BEADMN CC[C@H](C)N[C@@H](CO)c1c(F)cccc1F ZINC000038116381 171345864 /nfs/dbraw/zinc/34/58/64/171345864.db2.gz YFVAJWQVVLZUEP-KWQFWETISA-N 0 1 229.270 2.386 20 0 BEADMN CCCCCc1cc(C(=O)N2CCCC2)n[nH]1 ZINC000665072420 412080631 /nfs/dbraw/zinc/08/06/31/412080631.db2.gz ACBKFINWBCSJKY-UHFFFAOYSA-N 0 1 235.331 2.378 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1cnccc1N(C)C ZINC000183452736 171363576 /nfs/dbraw/zinc/36/35/76/171363576.db2.gz QIYZNTDIGQKMHU-WDEREUQCSA-N 0 1 249.358 2.312 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1cscn1)OC ZINC000294169433 171368964 /nfs/dbraw/zinc/36/89/64/171368964.db2.gz JCUXOHVSVXRODJ-GXSJLCMTSA-N 0 1 228.361 2.294 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@H](C)c1cscn1 ZINC000252787632 171378867 /nfs/dbraw/zinc/37/88/67/171378867.db2.gz DALAYPKAABHTLK-NGZCFLSTSA-N 0 1 228.361 2.201 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356790026 171383860 /nfs/dbraw/zinc/38/38/60/171383860.db2.gz UPMMTSPDAJYJGI-CYDGBPFRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)N(Cc1nccc(N)n1)C1CC1 ZINC000135046404 171386003 /nfs/dbraw/zinc/38/60/03/171386003.db2.gz RKVJMPPQPCSQQY-QWRGUYRKSA-N 0 1 248.374 2.458 20 0 BEADMN C[C@@H]1CN(CC2CC2)C[C@](C)(C(F)F)O1 ZINC000662366468 412125360 /nfs/dbraw/zinc/12/53/60/412125360.db2.gz OZVSQTGCEYJZCG-LDYMZIIASA-N 0 1 219.275 2.141 20 0 BEADMN CC[C@H](COC)NCc1cn2cc(C)ccc2n1 ZINC000341009085 171460489 /nfs/dbraw/zinc/46/04/89/171460489.db2.gz LLEXFSQLOKFQRN-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN CN(C)Cc1cc(-c2c[nH]cn2)ccc1F ZINC000665199772 412132182 /nfs/dbraw/zinc/13/21/82/412132182.db2.gz WXWXGBKRLKFRKQ-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN CC[C@H](NCC(=O)N(C)CC)c1ccsc1 ZINC000294406007 171515938 /nfs/dbraw/zinc/51/59/38/171515938.db2.gz MEERZFSYMPXNQR-NSHDSACASA-N 0 1 240.372 2.267 20 0 BEADMN Cc1ccc(CN(C)C(=O)C2(N(C)C)CC2)cc1 ZINC000665268359 412212912 /nfs/dbraw/zinc/21/29/12/412212912.db2.gz MZWLTUJKCHDMIZ-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCNC[C@@H]1C ZINC000662404726 412151416 /nfs/dbraw/zinc/15/14/16/412151416.db2.gz UVMIOTUSFRYZLZ-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1cccc(C(=O)N2CCNC[C@@H]2C)c1 ZINC000662405352 412151845 /nfs/dbraw/zinc/15/18/45/412151845.db2.gz XXRQEYPYGKFKOU-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN CC[C@H](NCc1cccc(N)c1)c1nccn1C ZINC000665233034 412172577 /nfs/dbraw/zinc/17/25/77/412172577.db2.gz ZRJVJQVVVYNASF-ZDUSSCGKSA-N 0 1 244.342 2.243 20 0 BEADMN N[C@H](C(=O)NCCCC1CCC1)c1ccccc1 ZINC000662666151 412264498 /nfs/dbraw/zinc/26/44/98/412264498.db2.gz NYYPRIWUTSKKSV-AWEZNQCLSA-N 0 1 246.354 2.383 20 0 BEADMN Cn1ccnc1CN1CC[C@@H](C2CCC2)C1 ZINC000665286831 412233060 /nfs/dbraw/zinc/23/30/60/412233060.db2.gz VKIQJGRGQDBRDC-GFCCVEGCSA-N 0 1 219.332 2.042 20 0 BEADMN c1nnsc1CN1CC[C@H](C2CCC2)C1 ZINC000665290182 412235688 /nfs/dbraw/zinc/23/56/88/412235688.db2.gz NOHPPWCPWRZUTK-JTQLQIEISA-N 0 1 223.345 2.160 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)c1coc(CN)c1 ZINC000662626008 412246390 /nfs/dbraw/zinc/24/63/90/412246390.db2.gz IOKIDCCWIHLFIK-SECBINFHSA-N 0 1 238.331 2.293 20 0 BEADMN CC(C)Nc1ccc(Cl)cc1NC(=O)CN ZINC000662848784 412320781 /nfs/dbraw/zinc/32/07/81/412320781.db2.gz IFIWJKAVGVZHDX-UHFFFAOYSA-N 0 1 241.722 2.058 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC2=CCCC2)cc1 ZINC000662916914 412344986 /nfs/dbraw/zinc/34/49/86/412344986.db2.gz YNSQKMKRASJMMI-AWEZNQCLSA-N 0 1 244.338 2.221 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000662773933 412298339 /nfs/dbraw/zinc/29/83/39/412298339.db2.gz XCIAAECTSCYUJO-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CC2CC1(C)C2 ZINC000663016144 412372171 /nfs/dbraw/zinc/37/21/71/412372171.db2.gz AJSUJRNQLGSRIY-GLWUULTISA-N 0 1 244.338 2.006 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CC3CC2(C)C3)cc1 ZINC000663018146 412372405 /nfs/dbraw/zinc/37/24/05/412372405.db2.gz UKMZEKDOPMQQLZ-GLWUULTISA-N 0 1 244.338 2.006 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CC3CC2(C)C3)cc1 ZINC000663018148 412372742 /nfs/dbraw/zinc/37/27/42/412372742.db2.gz UKMZEKDOPMQQLZ-QRJNDHJOSA-N 0 1 244.338 2.006 20 0 BEADMN Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1C ZINC000663220038 412394294 /nfs/dbraw/zinc/39/42/94/412394294.db2.gz WHFUAJSWUQPDLW-MNOVXSKESA-N 0 1 238.356 2.296 20 0 BEADMN C1CC12CC(c1nc([C@H]3CCCN3)no1)C2 ZINC000663251832 412401278 /nfs/dbraw/zinc/40/12/78/412401278.db2.gz SRWOXTSSVKEIIO-SECBINFHSA-N 0 1 219.288 2.152 20 0 BEADMN CC[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000663289829 412410807 /nfs/dbraw/zinc/41/08/07/412410807.db2.gz XFVRIBVNNKQZAP-KBPBESRZSA-N 0 1 246.354 2.380 20 0 BEADMN CC[C@H](O)CN1CC2(CCC2)[C@H]1c1ccncc1 ZINC000663289831 412411610 /nfs/dbraw/zinc/41/16/10/412411610.db2.gz XFVRIBVNNKQZAP-UONOGXRCSA-N 0 1 246.354 2.380 20 0 BEADMN CCc1ccc([C@@H](C)N[C@@H](C)Cn2cncn2)o1 ZINC000164228957 171831271 /nfs/dbraw/zinc/83/12/71/171831271.db2.gz KDVKEFMUUNEKJW-WDEREUQCSA-N 0 1 248.330 2.173 20 0 BEADMN CCc1nc([C@@H](C)NC(=O)C2=CCCCC2)n[nH]1 ZINC000276119253 172000285 /nfs/dbraw/zinc/00/02/85/172000285.db2.gz BCVZBWDSXOHHCC-SECBINFHSA-N 0 1 248.330 2.045 20 0 BEADMN CCc1nc([C@@H](C)NCc2ccc(C)o2)n[nH]1 ZINC000270635019 172002142 /nfs/dbraw/zinc/00/21/42/172002142.db2.gz GQRCXAGVFFNZRH-SECBINFHSA-N 0 1 234.303 2.119 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2ccncc2)n[nH]1 ZINC000358245272 172006976 /nfs/dbraw/zinc/00/69/76/172006976.db2.gz HJSNBSHBQURGBE-ZJUUUORDSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2ccccn2)n[nH]1 ZINC000271569083 172007225 /nfs/dbraw/zinc/00/72/25/172007225.db2.gz VKJMHXXUZNENTF-UWVGGRQHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2ccco2)n[nH]1 ZINC000271502198 172007782 /nfs/dbraw/zinc/00/77/82/172007782.db2.gz MEPNXTWBPMTDQM-IUCAKERBSA-N 0 1 234.303 2.372 20 0 BEADMN CCc1ncc(CN[C@H](C)c2cn[nH]c2)s1 ZINC000229883695 172019972 /nfs/dbraw/zinc/01/99/72/172019972.db2.gz UCEGWLMBHPJWDF-MRVPVSSYSA-N 0 1 236.344 2.279 20 0 BEADMN CCc1nn(C)c(CC)c1CNCc1ccoc1 ZINC000179008956 172037308 /nfs/dbraw/zinc/03/73/08/172037308.db2.gz GBBSWINIBYKWTE-UHFFFAOYSA-N 0 1 247.342 2.428 20 0 BEADMN CCc1nnc(CN(C)[C@H](C)C2CCC2)o1 ZINC000357041856 172047937 /nfs/dbraw/zinc/04/79/37/172047937.db2.gz PSDHGXWMYZBKMJ-SECBINFHSA-N 0 1 223.320 2.252 20 0 BEADMN CCc1nnc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000339674905 172051246 /nfs/dbraw/zinc/05/12/46/172051246.db2.gz WIUJFIKAOBWZRO-NSHDSACASA-N 0 1 235.331 2.254 20 0 BEADMN CCc1nnc(CN[C@H](C)C(C)C)s1 ZINC000308519265 172053086 /nfs/dbraw/zinc/05/30/86/172053086.db2.gz OBKPBBHPGLGLRW-MRVPVSSYSA-N 0 1 213.350 2.235 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@@H]2CC)s1 ZINC000336734564 172053097 /nfs/dbraw/zinc/05/30/97/172053097.db2.gz NIAJPMDJXVYGMK-IUCAKERBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@H](C)C2CCC2)s1 ZINC000336763119 172053650 /nfs/dbraw/zinc/05/36/50/172053650.db2.gz OLEALTYLIUIKTK-MRVPVSSYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@H]2CC)s1 ZINC000336734565 172054224 /nfs/dbraw/zinc/05/42/24/172054224.db2.gz NIAJPMDJXVYGMK-RKDXNWHRSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nc(SCC(=O)C2CCCC2)n[nH]1 ZINC000265977943 172061846 /nfs/dbraw/zinc/06/18/46/172061846.db2.gz AFOBSSCOFXBNJE-UHFFFAOYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1n[nH]c(SCC(=O)C2CCCC2)n1 ZINC000265977943 172061848 /nfs/dbraw/zinc/06/18/48/172061848.db2.gz AFOBSSCOFXBNJE-UHFFFAOYSA-N 0 1 239.344 2.219 20 0 BEADMN CCc1noc(C)c1CN(CC)C[C@@H](C)OC ZINC000361564256 172074784 /nfs/dbraw/zinc/07/47/84/172074784.db2.gz MBKYLTMOVNXWFW-SNVBAGLBSA-N 0 1 240.347 2.402 20 0 BEADMN CCc1noc(C)c1CN(C)C[C@H](C)OC ZINC000285594424 172075614 /nfs/dbraw/zinc/07/56/14/172075614.db2.gz IXCFOLNFRXFFMK-VIFPVBQESA-N 0 1 226.320 2.012 20 0 BEADMN CCc1noc(C)c1CN(CC)[C@H]1CCOC1 ZINC000336672627 172076012 /nfs/dbraw/zinc/07/60/12/172076012.db2.gz BHCQUDZEIAQJEU-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CN1CCOC[C@H](C)C1 ZINC000334144646 172077547 /nfs/dbraw/zinc/07/75/47/172077547.db2.gz ZUEIUPFLQMOQOG-SNVBAGLBSA-N 0 1 238.331 2.014 20 0 BEADMN CCc1noc(C)c1CN[C@H](C)COC(C)C ZINC000339439756 172078909 /nfs/dbraw/zinc/07/89/09/172078909.db2.gz TVZIBCNUMMKFMP-SNVBAGLBSA-N 0 1 240.347 2.449 20 0 BEADMN CCc1nocc1CN(C)[C@@H]1CC1(C)C ZINC000353237402 172094486 /nfs/dbraw/zinc/09/44/86/172094486.db2.gz VRWRTXXOAIMLRA-LLVKDONJSA-N 0 1 208.305 2.467 20 0 BEADMN CCc1nocc1CNCCC(F)(F)F ZINC000339291622 172098470 /nfs/dbraw/zinc/09/84/70/172098470.db2.gz VTMNANHSDICLKJ-UHFFFAOYSA-N 0 1 222.210 2.279 20 0 BEADMN CCc1oc(C(=O)OC)cc1CN(C)C1CC1 ZINC000177023313 172110779 /nfs/dbraw/zinc/11/07/79/172110779.db2.gz MMHXUQDKJAIHPS-UHFFFAOYSA-N 0 1 237.299 2.223 20 0 BEADMN CCn1cc(CCN2Cc3ccccc3C2)cn1 ZINC000276606996 172160466 /nfs/dbraw/zinc/16/04/66/172160466.db2.gz SCKITGIFFGYTOY-UHFFFAOYSA-N 0 1 241.338 2.461 20 0 BEADMN CCn1cc(CN2CCSC(C)(C)C2)cn1 ZINC000093504324 172164252 /nfs/dbraw/zinc/16/42/52/172164252.db2.gz MWZLWHHLLFUIKD-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN CCn1cc(CN[C@H](C)c2cncc(C)c2)cn1 ZINC000274614756 172173360 /nfs/dbraw/zinc/17/33/60/172173360.db2.gz OCNMXCRZVTYJJQ-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cn1 ZINC000222520694 172193731 /nfs/dbraw/zinc/19/37/31/172193731.db2.gz OTGDOOJCFJEFSF-VHSXEESVSA-N 0 1 233.319 2.038 20 0 BEADMN CCn1cc([C@@H](C)NCc2cccc(O)c2)cn1 ZINC000154429286 172194552 /nfs/dbraw/zinc/19/45/52/172194552.db2.gz CCPUORCBAMMZHH-LLVKDONJSA-N 0 1 245.326 2.459 20 0 BEADMN CCn1cc([C@@H](C)NCc2cccn2C)cn1 ZINC000269020280 172194816 /nfs/dbraw/zinc/19/48/16/172194816.db2.gz ZPIWVOFXIHTUSR-LLVKDONJSA-N 0 1 232.331 2.092 20 0 BEADMN CCn1cc([C@H](C)N[C@@H](C)c2cnn(C)c2)cn1 ZINC000163900970 172197347 /nfs/dbraw/zinc/19/73/47/172197347.db2.gz BJVXKXHDAOVHQT-QWRGUYRKSA-N 0 1 247.346 2.048 20 0 BEADMN CCn1cc([C@H](C)NCc2cccnc2)cn1 ZINC000044495291 172198261 /nfs/dbraw/zinc/19/82/61/172198261.db2.gz GQNCIWFMKCFFFJ-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cccc1CN(C)CCOCC1CC1 ZINC000267476949 172202304 /nfs/dbraw/zinc/20/23/04/172202304.db2.gz WWHUQNLMOJZIPJ-UHFFFAOYSA-N 0 1 236.359 2.366 20 0 BEADMN CCn1ccnc1CN1CCC2(CCC2)C1 ZINC000123253044 172219355 /nfs/dbraw/zinc/21/93/55/172219355.db2.gz AQDMRMVJTHUDOV-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCn1ccnc1CN1CC[C@H](C)[C@H](C)C1 ZINC000122973063 172220852 /nfs/dbraw/zinc/22/08/52/172220852.db2.gz NJSPWABUEBAHAY-NWDGAFQWSA-N 0 1 221.348 2.381 20 0 BEADMN CCn1ccnc1CN(C)[C@H](C)C(C)C ZINC000341808997 172220947 /nfs/dbraw/zinc/22/09/47/172220947.db2.gz LOCDFAHESRPAHB-LLVKDONJSA-N 0 1 209.337 2.379 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000297129257 172227525 /nfs/dbraw/zinc/22/75/25/172227525.db2.gz YXMHEXZCTQXWMA-NXEZZACHSA-N 0 1 207.321 2.352 20 0 BEADMN CCn1ccnc1NCc1occc1C ZINC000308929211 172228115 /nfs/dbraw/zinc/22/81/15/172228115.db2.gz QULSIPQROMRSIT-UHFFFAOYSA-N 0 1 205.261 2.417 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CC1(C)C ZINC000297129263 172229485 /nfs/dbraw/zinc/22/94/85/172229485.db2.gz YXMHEXZCTQXWMA-VHSXEESVSA-N 0 1 207.321 2.352 20 0 BEADMN CCn1nccc1CN(C)[C@@H]1C=CCCC1 ZINC000352348657 172264644 /nfs/dbraw/zinc/26/46/44/172264644.db2.gz CJOXHQHXLXAKMB-GFCCVEGCSA-N 0 1 219.332 2.444 20 0 BEADMN CCn1nccc1CNc1nccn1CC(C)C ZINC000281105434 172274659 /nfs/dbraw/zinc/27/46/59/172274659.db2.gz WIFSTMJQWOLWOY-UHFFFAOYSA-N 0 1 247.346 2.368 20 0 BEADMN CCn1nnc(C)c1CN1CCC[C@H]2CCC[C@H]21 ZINC000336222173 172287158 /nfs/dbraw/zinc/28/71/58/172287158.db2.gz ZURQCJBFTNLDAL-CHWSQXEVSA-N 0 1 248.374 2.371 20 0 BEADMN CN(C(=O)c1ccn[nH]1)C1CCC(F)(F)CC1 ZINC000288070156 172339378 /nfs/dbraw/zinc/33/93/78/172339378.db2.gz FAUAXAZJUYCWQG-UHFFFAOYSA-N 0 1 243.257 2.060 20 0 BEADMN CN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000095711611 172391025 /nfs/dbraw/zinc/39/10/25/172391025.db2.gz YIVGZDGRAOUGBD-UHFFFAOYSA-N 0 1 233.189 2.113 20 0 BEADMN CN(CC1CCCCC1)C(=O)c1cnccc1N ZINC000127567996 172660199 /nfs/dbraw/zinc/66/01/99/172660199.db2.gz MODBZUZGKWODRO-UHFFFAOYSA-N 0 1 247.342 2.316 20 0 BEADMN CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000058181870 173295286 /nfs/dbraw/zinc/29/52/86/173295286.db2.gz YDUNECVVVTZWCS-DTWKUNHWSA-N 0 1 240.734 2.125 20 0 BEADMN COC1CCC(N(C)Cc2cc(C)on2)CC1 ZINC000336713383 174021526 /nfs/dbraw/zinc/02/15/26/174021526.db2.gz SJKLASTVBSDBLC-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN COC1CCN(Cc2ccnn2C(C)C)CC1 ZINC000337134076 174029539 /nfs/dbraw/zinc/02/95/39/174029539.db2.gz MQVDCSVFGYNXCC-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN COCC(C)(C)CCCNc1nc(C)ns1 ZINC000336754735 174068181 /nfs/dbraw/zinc/06/81/81/174068181.db2.gz FYAJWQDOSWALHT-UHFFFAOYSA-N 0 1 243.376 2.133 20 0 BEADMN COCC(C)(C)NCc1ccc(Cl)o1 ZINC000066996039 174082065 /nfs/dbraw/zinc/08/20/65/174082065.db2.gz GPLNJGBLWOWUAR-UHFFFAOYSA-N 0 1 217.696 2.448 20 0 BEADMN COCC1(CNCc2cscn2)CCC1 ZINC000282043915 174102625 /nfs/dbraw/zinc/10/26/25/174102625.db2.gz OYSIAXKYHDGLFP-UHFFFAOYSA-N 0 1 226.345 2.049 20 0 BEADMN COCC1(NCc2cc(F)ncc2F)CCC1 ZINC000296910104 174109305 /nfs/dbraw/zinc/10/93/05/174109305.db2.gz RIUNKMGGPSRKPQ-UHFFFAOYSA-N 0 1 242.269 2.019 20 0 BEADMN COCC1CCN(Cc2cncc(F)c2)CC1 ZINC000275095915 174120256 /nfs/dbraw/zinc/12/02/56/174120256.db2.gz ATFZDVQDAQLYOP-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN COCCC1(NCc2cscn2)CCC1 ZINC000336752770 174159209 /nfs/dbraw/zinc/15/92/09/174159209.db2.gz GOAWEFXSHZOPCA-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN COCCCCNc1ccnc(C)c1Cl ZINC000336692028 174195839 /nfs/dbraw/zinc/19/58/39/174195839.db2.gz MXEUFLHRAGYMDU-UHFFFAOYSA-N 0 1 228.723 2.304 20 0 BEADMN COCCCCN[C@H](C)c1cc(C)on1 ZINC000282492270 174203569 /nfs/dbraw/zinc/20/35/69/174203569.db2.gz HUTFMWIIIQELAE-SNVBAGLBSA-N 0 1 212.293 2.060 20 0 BEADMN COCCCN1CCc2cccc(F)c2C1 ZINC000157959489 174233352 /nfs/dbraw/zinc/23/33/52/174233352.db2.gz QXAWVBSTTBGVHM-UHFFFAOYSA-N 0 1 223.291 2.220 20 0 BEADMN COCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053427641 174281537 /nfs/dbraw/zinc/28/15/37/174281537.db2.gz ZSEFJQWHTZKVQI-JQWIXIFHSA-N 0 1 223.316 2.481 20 0 BEADMN COCCN(Cc1ccc(C)o1)C[C@H](C)OC ZINC000182233023 174298860 /nfs/dbraw/zinc/29/88/60/174298860.db2.gz YYJPSUNJPFTNHJ-LBPRGKRZSA-N 0 1 241.331 2.071 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@@H]1CC[C@@H](C)C1 ZINC000361627692 174299450 /nfs/dbraw/zinc/29/94/50/174299450.db2.gz FIQWJIQYTDTORN-DGCLKSJQSA-N 0 1 237.347 2.047 20 0 BEADMN COCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110032796 174318572 /nfs/dbraw/zinc/31/85/72/174318572.db2.gz KNBZUZWOQMJTRX-IPYPFGDCSA-N 0 1 249.354 2.483 20 0 BEADMN COCCNc1ccnc2cc(F)ccc21 ZINC000301282791 174341731 /nfs/dbraw/zinc/34/17/31/174341731.db2.gz QOUANTBIJYQKQV-UHFFFAOYSA-N 0 1 220.247 2.432 20 0 BEADMN COCC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000283444007 174384378 /nfs/dbraw/zinc/38/43/78/174384378.db2.gz IDYMIFDDQXOVRF-SCZZXKLOSA-N 0 1 212.293 2.059 20 0 BEADMN COCC[C@@H](C)Nc1cc2c(cn1)CCC2 ZINC000354533308 174386585 /nfs/dbraw/zinc/38/65/85/174386585.db2.gz DBHYPLXOBJXXLT-SNVBAGLBSA-N 0 1 220.316 2.407 20 0 BEADMN COC[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000077897112 174606289 /nfs/dbraw/zinc/60/62/89/174606289.db2.gz VPCZAOQSJYIMIE-NSHDSACASA-N 0 1 240.734 2.203 20 0 BEADMN C[C@@H](CCO)N(C)Cc1ccc(F)c(F)c1F ZINC000668291421 487628763 /nfs/dbraw/zinc/62/87/63/487628763.db2.gz LSTAFWBSRXEUTI-QMMMGPOBSA-N 0 1 247.260 2.307 20 0 BEADMN COCc1ccccc1CNCc1conc1C ZINC000339178017 174634352 /nfs/dbraw/zinc/63/43/52/174634352.db2.gz HNUXOZSLZQYQSW-UHFFFAOYSA-N 0 1 246.310 2.419 20 0 BEADMN CO[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000172108924 174681741 /nfs/dbraw/zinc/68/17/41/174681741.db2.gz YPKRBBHBZAOSOK-LURJTMIESA-N 0 1 229.663 2.019 20 0 BEADMN COc1cc(F)cc(CNCc2cccn2C)c1 ZINC000093970774 174994008 /nfs/dbraw/zinc/99/40/08/174994008.db2.gz OSEQDMQALMSUQH-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN COc1cc2c(c(CN3CC(C)C3)c1)O[C@@H](C)C2 ZINC000338951124 175019798 /nfs/dbraw/zinc/01/97/98/175019798.db2.gz HILVIOMCKYDBPE-NSHDSACASA-N 0 1 247.338 2.470 20 0 BEADMN COc1cc2c(cc1CN1CCCC1)OCO2 ZINC000353007391 175021110 /nfs/dbraw/zinc/02/11/10/175021110.db2.gz OSUZCIYCDSHAGS-UHFFFAOYSA-N 0 1 235.283 2.020 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)nn1 ZINC000282978974 175101367 /nfs/dbraw/zinc/10/13/67/175101367.db2.gz DGYIIHAPUOJXAJ-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN COc1ccc(CNCc2ccncc2)cc1O ZINC000020139692 175108585 /nfs/dbraw/zinc/10/85/85/175108585.db2.gz VWNCYZIRGNPHPQ-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1ccc(CNCc2snnc2C)cc1 ZINC000291790757 175108749 /nfs/dbraw/zinc/10/87/49/175108749.db2.gz WDICAEPTIMRPAS-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN COc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1O ZINC000339586331 175109821 /nfs/dbraw/zinc/10/98/21/175109821.db2.gz IKXQZFGBTUQKHR-WDEREUQCSA-N 0 1 239.290 2.381 20 0 BEADMN COc1ccc(CSc2cn[nH]n2)cc1F ZINC000358264632 175115180 /nfs/dbraw/zinc/11/51/80/175115180.db2.gz ODDXYBOXZNNWRS-UHFFFAOYSA-N 0 1 239.275 2.245 20 0 BEADMN COc1ccc(F)c(CN2CC[C@H](OC)C2)c1 ZINC000295356148 175124752 /nfs/dbraw/zinc/12/47/52/175124752.db2.gz NLFMZQHJXCXWOY-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN COc1ccc(NC(=O)[C@H](C)N2CCCC2)cc1 ZINC000008142246 175146243 /nfs/dbraw/zinc/14/62/43/175146243.db2.gz BIPCQQVMNSLZEU-NSHDSACASA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000033816981 175148941 /nfs/dbraw/zinc/14/89/41/175148941.db2.gz BUNPLPLIOCLSSB-UHFFFAOYSA-N 0 1 244.250 2.048 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)cc1OC ZINC000289739515 175153391 /nfs/dbraw/zinc/15/33/91/175153391.db2.gz DWHBTBXSGYTENW-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1cccc(C2(NCc3cnc[nH]3)CC2)c1 ZINC000280143648 175248005 /nfs/dbraw/zinc/24/80/05/175248005.db2.gz CJRGGVOYNQOPID-UHFFFAOYSA-N 0 1 243.310 2.197 20 0 BEADMN COc1cccc(CN2CC[C@H](SC)C2)n1 ZINC000295067870 175259906 /nfs/dbraw/zinc/25/99/06/175259906.db2.gz OZKMLMPHZWVOIQ-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN COc1cccc(CNCCC(F)(F)F)n1 ZINC000069637652 175263170 /nfs/dbraw/zinc/26/31/70/175263170.db2.gz VLMQGYANNFGQTK-UHFFFAOYSA-N 0 1 234.221 2.132 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CC2CC2)c1 ZINC000077427149 175292608 /nfs/dbraw/zinc/29/26/08/175292608.db2.gz AFAXXSKOFZXHAJ-CYBMUJFWSA-N 0 1 249.310 2.163 20 0 BEADMN COc1ccccc1CCCN1CCO[C@@H](C)C1 ZINC000182371870 175322735 /nfs/dbraw/zinc/32/27/35/175322735.db2.gz GNTDCLRVUWIUCA-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccccc1CCNCc1cscn1 ZINC000057596057 175323216 /nfs/dbraw/zinc/32/32/16/175323216.db2.gz VKDVKIRTTTWVGQ-UHFFFAOYSA-N 0 1 248.351 2.484 20 0 BEADMN COc1ccccc1CN(C)C[C@H]1CCCO1 ZINC000061760747 175324936 /nfs/dbraw/zinc/32/49/36/175324936.db2.gz ULBZNVUJQWEIQF-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN COc1ccccc1SCc1n[nH]c(C)n1 ZINC000291762161 175343660 /nfs/dbraw/zinc/34/36/60/175343660.db2.gz UWTVKTDSANMWDK-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN COc1ccnc(CN(C)CCCSC)c1 ZINC000281305710 175358738 /nfs/dbraw/zinc/35/87/38/175358738.db2.gz HROCADIDGMSMNR-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN COc1ccnc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000336567588 175360087 /nfs/dbraw/zinc/36/00/87/175360087.db2.gz MVDVTQPKEDDWKP-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN COc1ccsc1CN(C)C[C@H](C)OC ZINC000289953911 175376934 /nfs/dbraw/zinc/37/69/34/175376934.db2.gz YVBJZLDGMYHSEO-VIFPVBQESA-N 0 1 229.345 2.223 20 0 BEADMN CN1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000255493687 322931565 /nfs/dbraw/zinc/93/15/65/322931565.db2.gz LHFTZMIPVRVENG-IHWYPQMZSA-N 0 1 234.318 2.086 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000082250085 176013540 /nfs/dbraw/zinc/01/35/40/176013540.db2.gz JDIXFNHPTNNWLR-QMMMGPOBSA-N 0 1 243.253 2.432 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@](C)(O)C1 ZINC000267311261 176014333 /nfs/dbraw/zinc/01/43/33/176014333.db2.gz DJAODHJVCHROBB-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@](C)(O)C1 ZINC000177969778 176015397 /nfs/dbraw/zinc/01/53/97/176015397.db2.gz ARLQZBNJPTYUQZ-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1ccccc1F)[N@@H+](C)CCC(=O)[O-] ZINC000062015323 176025063 /nfs/dbraw/zinc/02/50/63/176025063.db2.gz SAGXGHMULXVPCU-VIFPVBQESA-N 0 1 225.263 2.293 20 0 BEADMN C[C@@H](c1ccco1)N(C)CCn1cccn1 ZINC000069065365 176032306 /nfs/dbraw/zinc/03/23/06/176032306.db2.gz KSAPBOOMBIGZMG-NSHDSACASA-N 0 1 219.288 2.169 20 0 BEADMN C[C@@H]1CC(NC(=O)CCc2cnc[nH]2)C[C@@H](C)C1 ZINC000193324419 176053389 /nfs/dbraw/zinc/05/33/89/176053389.db2.gz IDVFGUUGUCQZDS-QWRGUYRKSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132030455 176068617 /nfs/dbraw/zinc/06/86/17/176068617.db2.gz JCEVJACLLIVZHQ-MNOVXSKESA-N 0 1 247.342 2.231 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CN)o1 ZINC000094563927 176087597 /nfs/dbraw/zinc/08/75/97/176087597.db2.gz ZROOFGGVFYIPDP-MWLCHTKSSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccs2)[C@@H]1C(=O)[O-] ZINC000235324778 176101744 /nfs/dbraw/zinc/10/17/44/176101744.db2.gz RVRHYAIAMGSGMW-KOLCDFICSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000300273453 176102371 /nfs/dbraw/zinc/10/23/71/176102371.db2.gz PUESWJSTTHJHNO-DGCLKSJQSA-N 0 1 233.311 2.372 20 0 BEADMN C[C@@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000104358544 176103153 /nfs/dbraw/zinc/10/31/53/176103153.db2.gz ARGDIUPKFYNMFV-SNVBAGLBSA-N 0 1 234.299 2.406 20 0 BEADMN C[C@@H]1CCCN1CC(=O)N1CCc2ccccc21 ZINC000154485886 176109415 /nfs/dbraw/zinc/10/94/15/176109415.db2.gz HGFBTRYKVMQTFU-GFCCVEGCSA-N 0 1 244.338 2.060 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000037911324 176109669 /nfs/dbraw/zinc/10/96/69/176109669.db2.gz GULNOLBHOLBJKK-SNVBAGLBSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1CCCN1Cc1nc(N)c2ccccc2n1 ZINC000072875441 176110890 /nfs/dbraw/zinc/11/08/90/176110890.db2.gz SHNLLKJJFQMTCS-SNVBAGLBSA-N 0 1 242.326 2.196 20 0 BEADMN C[C@@H]1CCC[C@@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000042493592 176121229 /nfs/dbraw/zinc/12/12/29/176121229.db2.gz SBLNQEFCQGDTPZ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000119876616 176122866 /nfs/dbraw/zinc/12/28/66/176122866.db2.gz WDKXEUFLWWDSOM-NXEZZACHSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2ccncc2C(N)=O)C1 ZINC000302231967 176124590 /nfs/dbraw/zinc/12/45/90/176124590.db2.gz SGEICAMPJNSGMK-NXEZZACHSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000336352034 176128371 /nfs/dbraw/zinc/12/83/71/176128371.db2.gz DBWOZWXIGJGBSF-NXEZZACHSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)NCc2cnc[nH]2)C1 ZINC000330896958 176136861 /nfs/dbraw/zinc/13/68/61/176136861.db2.gz LSPFODLDWBFPLD-MNOVXSKESA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)C(=O)c2cnc[nH]2)C1 ZINC000263662973 176140791 /nfs/dbraw/zinc/14/07/91/176140791.db2.gz JDOJRXJSCKJKAA-ZJUUUORDSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2cnccc2N)[C@@H]1C ZINC000126976235 176143298 /nfs/dbraw/zinc/14/32/98/176143298.db2.gz GLCDMQJFCMLVBW-BREBYQMCSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000273445522 176149502 /nfs/dbraw/zinc/14/95/02/176149502.db2.gz BSNMFBHHLVFGEH-ZYHUDNBSSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)[C@](C)(N)c1ccccc1 ZINC000071209107 176150036 /nfs/dbraw/zinc/15/00/36/176150036.db2.gz CSCVLBPRHCHVPQ-UXIGCNINSA-N 0 1 246.354 2.165 20 0 BEADMN C[C@@H]1CCN(CC(=O)OC(C)(C)C)C[C@@H]1C ZINC000122858251 176168645 /nfs/dbraw/zinc/16/86/45/176168645.db2.gz WBWUZEVRXFSVHO-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000041043378 176173658 /nfs/dbraw/zinc/17/36/58/176173658.db2.gz WGMNJTYFTGDTDY-SNVBAGLBSA-N 0 1 219.284 2.227 20 0 BEADMN C[C@@H]1CCN(Cc2c(F)cccc2F)[C@H]1CO ZINC000248979052 176173833 /nfs/dbraw/zinc/17/38/33/176173833.db2.gz UWQKWDCRPIOALS-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2c(F)cccc2F)[C@@H]1CO ZINC000189728567 176174385 /nfs/dbraw/zinc/17/43/85/176174385.db2.gz UWQKWDCRPIOALS-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)n2)[C@H](C)C1 ZINC000271201639 176176640 /nfs/dbraw/zinc/17/66/40/176176640.db2.gz WLIZNXHJDBLQPK-GHMZBOCLSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@@H]1C ZINC000336365726 176176939 /nfs/dbraw/zinc/17/69/39/176176939.db2.gz KCHIZVFXMCRUKB-NXEZZACHSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@@H]1CCN(Cc2nccc(N)n2)CC12CCC2 ZINC000271339031 176179382 /nfs/dbraw/zinc/17/93/82/176179382.db2.gz NAPMQYLADPLXCL-LLVKDONJSA-N 0 1 246.358 2.071 20 0 BEADMN C[C@@H]1CCN(c2ncnc3[nH]cnc32)C[C@@H](C)C1 ZINC000301762125 176183085 /nfs/dbraw/zinc/18/30/85/176183085.db2.gz DHMOQFSIKPBIKA-ZJUUUORDSA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H]1CCN[C@H](c2nc(-c3ccco3)no2)C1 ZINC000127973236 176187138 /nfs/dbraw/zinc/18/71/38/176187138.db2.gz OPWRQHVOJIHMDH-BDAKNGLRSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@@H]1CC[C@@H](CN(C)Cc2ccoc2)O1 ZINC000336689681 176202173 /nfs/dbraw/zinc/20/21/73/176202173.db2.gz DEOXZVYBHRKVTN-PWSUYJOCSA-N 0 1 209.289 2.279 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000338952760 176206859 /nfs/dbraw/zinc/20/68/59/176206859.db2.gz PBKZIHMOPWXLJS-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000310361199 176216722 /nfs/dbraw/zinc/21/67/22/176216722.db2.gz KHKZDGRYQKRFRS-SCZZXKLOSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@@H]1CC[C@](CO)(N(C)Cc2nccs2)C1 ZINC000187943750 176237712 /nfs/dbraw/zinc/23/77/12/176237712.db2.gz WCDMVQGKQUSQFN-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccc(F)cc2O)[C@@H]1C ZINC000294363035 176261354 /nfs/dbraw/zinc/26/13/54/176261354.db2.gz XEMFHCZYEXWPLE-HTQZYQBOSA-N 0 1 223.247 2.012 20 0 BEADMN C[C@@H]1CN(CCCCO)C[C@H](c2ccccc2)O1 ZINC000263983791 176288402 /nfs/dbraw/zinc/28/84/02/176288402.db2.gz GWAJTPRUSQOKSJ-UKRRQHHQSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)C[C@H](C2CC2)O1 ZINC000279405701 176294291 /nfs/dbraw/zinc/29/42/91/176294291.db2.gz VJXJUYTXJXZWRC-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)C[C@@H](C)O1 ZINC000051953686 176301792 /nfs/dbraw/zinc/30/17/92/176301792.db2.gz IWTSOLYAGPYJSJ-NFAWXSAZSA-N 0 1 249.354 2.003 20 0 BEADMN C[C@@H]1CN(Cc2sccc2Cl)C[C@@H]1O ZINC000307585747 176313261 /nfs/dbraw/zinc/31/32/61/176313261.db2.gz NAUVUNPKDHWXAX-APPZFPTMSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)[C@@H]1C ZINC000293292148 176315202 /nfs/dbraw/zinc/31/52/02/176315202.db2.gz DGKXTAQZLOLLRB-YRGRVCCFSA-N 0 1 244.338 2.132 20 0 BEADMN C[C@@H]1CNCCN1C(=O)CCCC(C)(C)C ZINC000124486294 176325368 /nfs/dbraw/zinc/32/53/68/176325368.db2.gz ONIIADMEYJFTOH-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1COCCN(CCC(=O)c2ccccc2)C1 ZINC000367954311 176333429 /nfs/dbraw/zinc/33/34/29/176333429.db2.gz GZULOCPAQYJAOA-ZDUSSCGKSA-N 0 1 247.338 2.228 20 0 BEADMN C[C@@H]1CSCCN1CCc1cscn1 ZINC000294860292 176351092 /nfs/dbraw/zinc/35/10/92/176351092.db2.gz CYIDXWKDSDBLFY-SECBINFHSA-N 0 1 228.386 2.123 20 0 BEADMN C[C@@H]1CSC[C@H]1NCc1ccn(C(F)F)n1 ZINC000336779462 176356156 /nfs/dbraw/zinc/35/61/56/176356156.db2.gz OHWQTLBUSPGPEC-VXNVDRBHSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2nccs2)c2nccn21 ZINC000293894912 176375872 /nfs/dbraw/zinc/37/58/72/176375872.db2.gz GUJUDNSTVCDBQV-NXEZZACHSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2ccco2)c2nccn21 ZINC000345359799 176376643 /nfs/dbraw/zinc/37/66/43/176376643.db2.gz YBMBRDHOLVFBKY-ZYHUDNBSSA-N 0 1 231.299 2.314 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnnn2C)c2ccccc21 ZINC000267532224 176377156 /nfs/dbraw/zinc/37/71/56/176377156.db2.gz SYLWYHKOPFWQTA-QMTHXVAHSA-N 0 1 242.326 2.153 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1nc2ccccc2s1 ZINC000334208906 176382608 /nfs/dbraw/zinc/38/26/08/176382608.db2.gz CWSADESPHJIPBK-NXEZZACHSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H](NCC1(O)CCCCC1)c1nccs1 ZINC000070651062 176836751 /nfs/dbraw/zinc/83/67/51/176836751.db2.gz PAFQSPUHKVVVKE-JTQLQIEISA-N 0 1 240.372 2.489 20 0 BEADMN CCOc1ccc(CN(C)C2CC2)nc1 ZINC000674860897 487636019 /nfs/dbraw/zinc/63/60/19/487636019.db2.gz UUPCFIZVLRSXDT-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ncn(C)n1 ZINC000336626448 176894397 /nfs/dbraw/zinc/89/43/97/176894397.db2.gz AYLTVFOXQYBPJB-WDEREUQCSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1O)c1cscn1 ZINC000252788102 176895144 /nfs/dbraw/zinc/89/51/44/176895144.db2.gz JQXBHYOYZBRUHQ-IQJOONFLSA-N 0 1 226.345 2.097 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC[C@H]2C)s1 ZINC000289023714 177019411 /nfs/dbraw/zinc/01/94/11/177019411.db2.gz AVXOFUWCRYSTJG-BDAKNGLRSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@H](c1ccccn1)N(C)CC1=CCCOC1 ZINC000183674050 177042967 /nfs/dbraw/zinc/04/29/67/177042967.db2.gz FWCMLFGURSKUFG-GFCCVEGCSA-N 0 1 232.327 2.421 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)CCC(=O)N(C)C ZINC000298307523 177048813 /nfs/dbraw/zinc/04/88/13/177048813.db2.gz YFHQSBRIQWFMMC-SNVBAGLBSA-N 0 1 240.372 2.219 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)C[C@H]1COCCO1 ZINC000336709192 177048945 /nfs/dbraw/zinc/04/89/45/177048945.db2.gz WANFPADYUAQPRI-MNOVXSKESA-N 0 1 241.356 2.156 20 0 BEADMN C[C@H](c1cnccn1)N(C)C[C@H]1CCCCO1 ZINC000274246878 177050941 /nfs/dbraw/zinc/05/09/41/177050941.db2.gz FPDBACBLDRCKDH-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@H](c1cnccn1)N(C)CCc1nccs1 ZINC000184688337 177051040 /nfs/dbraw/zinc/05/10/40/177051040.db2.gz DMSDJPHDKHGNJZ-SNVBAGLBSA-N 0 1 248.355 2.169 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cncn1C ZINC000335428210 177063690 /nfs/dbraw/zinc/06/36/90/177063690.db2.gz NIJVJTJWTOAHAF-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000336455628 177072659 /nfs/dbraw/zinc/07/26/59/177072659.db2.gz AOBVNWUBMJJIRI-JTQLQIEISA-N 0 1 235.331 2.088 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132030655 177072845 /nfs/dbraw/zinc/07/28/45/177072845.db2.gz JCEVJACLLIVZHQ-QWRGUYRKSA-N 0 1 247.342 2.231 20 0 BEADMN C[C@H]1CCCCN1C(=O)c1cnccc1N(C)C ZINC000273982564 177074266 /nfs/dbraw/zinc/07/42/66/177074266.db2.gz HVIJBQCQBUVCTN-NSHDSACASA-N 0 1 247.342 2.162 20 0 BEADMN C[C@H]1CCCCN1Cc1cn2cccnc2n1 ZINC000123890664 177078039 /nfs/dbraw/zinc/07/80/39/177078039.db2.gz XXZWUKGZYLOHIP-NSHDSACASA-N 0 1 230.315 2.104 20 0 BEADMN C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC(=O)[O-] ZINC000042608462 177086827 /nfs/dbraw/zinc/08/68/27/177086827.db2.gz NAWPTNGHEDTYOC-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccccc1 ZINC000037911323 177111420 /nfs/dbraw/zinc/11/14/20/177111420.db2.gz BDLPHTIOEIDWIS-JQWIXIFHSA-N 0 1 219.284 2.297 20 0 BEADMN C[C@@H]1CCC[C@H](C)N(Cc2nnnn2C2CC2)C1 ZINC000125431861 177115243 /nfs/dbraw/zinc/11/52/43/177115243.db2.gz WNESGXZHJQBDRB-MNOVXSKESA-N 0 1 249.362 2.019 20 0 BEADMN C[C@H]1CCC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000273445514 177125612 /nfs/dbraw/zinc/12/56/12/177125612.db2.gz BSNMFBHHLVFGEH-JQWIXIFHSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000125432100 177130491 /nfs/dbraw/zinc/13/04/91/177130491.db2.gz WNESGXZHJQBDRB-QWRGUYRKSA-N 0 1 249.362 2.019 20 0 BEADMN C[C@H]1CCC[C@H](C)N(Cc2nnnn2C2CC2)C1 ZINC000125432100 177130493 /nfs/dbraw/zinc/13/04/93/177130493.db2.gz WNESGXZHJQBDRB-QWRGUYRKSA-N 0 1 249.362 2.019 20 0 BEADMN C[C@H]1CCC[C@H](CC(=O)N2CCNC[C@@H]2C)C1 ZINC000125618989 177132184 /nfs/dbraw/zinc/13/21/84/177132184.db2.gz ARZLPENEUKHXMM-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000078830905 177133845 /nfs/dbraw/zinc/13/38/45/177133845.db2.gz LWSPJEVODPTVAB-UWVGGRQHSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000336562163 177155616 /nfs/dbraw/zinc/15/56/16/177155616.db2.gz DLBOQUVEWFTGHD-DTWKUNHWSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cnccc1N(C)C ZINC000183851662 177156574 /nfs/dbraw/zinc/15/65/74/177156574.db2.gz SGZYMFXJZBPDIO-WDEREUQCSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@H]1CCN(Cc2ccno2)CCS1 ZINC000276967009 177166628 /nfs/dbraw/zinc/16/66/28/177166628.db2.gz QWNYMOMZQZBPJV-VIFPVBQESA-N 0 1 212.318 2.002 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2cn3cccnc3n2)C1 ZINC000174014439 177184077 /nfs/dbraw/zinc/18/40/77/177184077.db2.gz UAZYZMQXFUSIRV-NEPJUHHUSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@H]1CN(C(=O)CC2CCCC2)[C@@H](C)CN1C ZINC000336369496 177214050 /nfs/dbraw/zinc/21/40/50/177214050.db2.gz YKWONYVNQXPMQA-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1C ZINC000267746631 177225579 /nfs/dbraw/zinc/22/55/79/177225579.db2.gz XHZWBKPAUBUEBQ-IUCAKERBSA-N 0 1 233.315 2.015 20 0 BEADMN C[C@H]1CN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@H]12 ZINC000183852930 177226069 /nfs/dbraw/zinc/22/60/69/177226069.db2.gz YVHJPIBEGFSJBL-HOSYDEDBSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@@H]1C ZINC000267744760 177228099 /nfs/dbraw/zinc/22/80/99/177228099.db2.gz XFYDFCFYJPVXCT-UWVGGRQHSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@H]1CN(CC2=CCCCC2)CC[S@](=O)C1 ZINC000336272861 177245330 /nfs/dbraw/zinc/24/53/30/177245330.db2.gz FSGOREHBUBMPCC-LRDDRELGSA-N 0 1 241.400 2.187 20 0 BEADMN C[C@H]1CN(CCc2ccccn2)C[C@@H](C2CC2)O1 ZINC000279405706 177254550 /nfs/dbraw/zinc/25/45/50/177254550.db2.gz VJXJUYTXJXZWRC-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(CC[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000157913019 177254586 /nfs/dbraw/zinc/25/45/86/177254586.db2.gz CMJMYWPNEBLCGB-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCc1ccccc1 ZINC000097205795 177254835 /nfs/dbraw/zinc/25/48/35/177254835.db2.gz ZZEZGQKVHZKXNV-OLZOCXBDSA-N 0 1 219.328 2.338 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CC[C@H](O)c1ccccc1 ZINC000053932650 177254982 /nfs/dbraw/zinc/25/49/82/177254982.db2.gz QNNVEGRARYVNHE-IPYPFGDCSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(CCc2ccncc2)C[C@@H](C2CC2)O1 ZINC000279415131 177256388 /nfs/dbraw/zinc/25/63/88/177256388.db2.gz WHBPLQKBAIWSKY-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCOc3ccccc32)CCO1 ZINC000362375530 177258202 /nfs/dbraw/zinc/25/82/02/177258202.db2.gz FRDMXRFSSKAOLU-STQMWFEESA-N 0 1 247.338 2.273 20 0 BEADMN C[C@H]1CN(C[C@H]2CCOc3ccccc32)CCO1 ZINC000362375529 177258971 /nfs/dbraw/zinc/25/89/71/177258971.db2.gz FRDMXRFSSKAOLU-QWHCGFSZSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CC[S@](=O)[C@@H](C)C2)C1 ZINC000356991025 177259132 /nfs/dbraw/zinc/25/91/32/177259132.db2.gz UUOIGFBVQSVJGE-DVZHBHJUSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CC[S@@](=O)[C@@H](C)C2)C1 ZINC000356991023 177259262 /nfs/dbraw/zinc/25/92/62/177259262.db2.gz UUOIGFBVQSVJGE-LMOYCYGVSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnc2ccccn12 ZINC000336548383 177268888 /nfs/dbraw/zinc/26/88/88/177268888.db2.gz GEZQXCBZEWNYBK-WDEREUQCSA-N 0 1 215.300 2.175 20 0 BEADMN C[C@H]1CNCCN1C(=O)CC1CCCCCC1 ZINC000126190706 177282633 /nfs/dbraw/zinc/28/26/33/177282633.db2.gz JVQLVZUHIGQOEM-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)N2CCNC[C@@H]2C)C1 ZINC000125619400 177282805 /nfs/dbraw/zinc/28/28/05/177282805.db2.gz ARZLPENEUKHXMM-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCCCO ZINC000170872319 177300668 /nfs/dbraw/zinc/30/06/68/177300668.db2.gz JJIAJDMMJWVIQK-DZGCQCFKSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H]1CSCCN(Cc2cncc(F)c2)C1 ZINC000276835453 177303680 /nfs/dbraw/zinc/30/36/80/177303680.db2.gz BQNMPAIMEBTMIB-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccccc2)C1 ZINC000307226019 177309348 /nfs/dbraw/zinc/30/93/48/177309348.db2.gz FLCVIRSRHPARMT-WCQYABFASA-N 0 1 233.311 2.229 20 0 BEADMN C[C@@H]1C[C@H](C)CN(CC(=O)c2cccn2C)C1 ZINC000035018620 177312627 /nfs/dbraw/zinc/31/26/27/177312627.db2.gz BCNYBJKPCPUDLZ-TXEJJXNPSA-N 0 1 234.343 2.186 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000336418863 177317356 /nfs/dbraw/zinc/31/73/56/177317356.db2.gz DGGXUCDVHZGGRS-ZJUUUORDSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@H]1C[C@H](NC(=O)c2cnccc2N)C[C@@H](C)C1 ZINC000246392352 177318019 /nfs/dbraw/zinc/31/80/19/177318019.db2.gz BARIWNLWVSFYJM-URLYPYJESA-N 0 1 247.342 2.218 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000043115480 177344968 /nfs/dbraw/zinc/34/49/68/177344968.db2.gz FVLZJZATSFEKPY-IONNQARKSA-N 0 1 239.702 2.431 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1ccc2c(c1)NC(=O)CO2 ZINC000336593484 177360822 /nfs/dbraw/zinc/36/08/22/177360822.db2.gz XEWYHDSXZJMQNR-UWVGGRQHSA-N 0 1 246.310 2.000 20 0 BEADMN C[C@H]1C[C@H](NCCOC2CCCC2)c2nccn21 ZINC000345344051 177370746 /nfs/dbraw/zinc/37/07/46/177370746.db2.gz ADBJEAPNAJTFST-AAEUAGOBSA-N 0 1 249.358 2.438 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000354913203 177378343 /nfs/dbraw/zinc/37/83/43/177378343.db2.gz GHBITDDOOOWTCZ-JQWIXIFHSA-N 0 1 247.342 2.128 20 0 BEADMN C[C@H]1C[C@H]1CNc1ccc2nn[nH]c2c1 ZINC000328669195 177381883 /nfs/dbraw/zinc/38/18/83/177381883.db2.gz LVZBREXKFDCKFQ-YUMQZZPRSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@H]1C[C@H]1CNc1ccc2n[nH]nc2c1 ZINC000328669195 177381884 /nfs/dbraw/zinc/38/18/84/177381884.db2.gz LVZBREXKFDCKFQ-YUMQZZPRSA-N 0 1 202.261 2.026 20 0 BEADMN C[C@H]1N(CCc2ccccn2)CCOC1(C)C ZINC000336609297 177392248 /nfs/dbraw/zinc/39/22/48/177392248.db2.gz OONULVLWROUDHT-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1OCCN(CC[C@@H](O)c2ccccc2)[C@@H]1C ZINC000286411696 177398546 /nfs/dbraw/zinc/39/85/46/177398546.db2.gz LVYAUAARIZQSQA-UMVBOHGHSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1OCCN(CCCc2ccncc2)[C@@H]1C ZINC000360435354 177398563 /nfs/dbraw/zinc/39/85/63/177398563.db2.gz DIWXFGMREWIPLC-CHWSQXEVSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(F)c(F)c1 ZINC000335694470 177420192 /nfs/dbraw/zinc/42/01/92/177420192.db2.gz CWKNJJWXWVQSCQ-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668305192 487638431 /nfs/dbraw/zinc/63/84/31/487638431.db2.gz HAGZEWRESQOBRT-NSHDSACASA-N 0 1 249.358 2.067 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC000184981303 177548925 /nfs/dbraw/zinc/54/89/25/177548925.db2.gz YQRDOHLCUSMIJI-QWHCGFSZSA-N 0 1 249.358 2.059 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C(C)C)C2)n1 ZINC000674868688 487639257 /nfs/dbraw/zinc/63/92/57/487639257.db2.gz WRTNKVLLKKDFHY-ONGXEEELSA-N 0 1 223.320 2.417 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2nc(C)no2)C1 ZINC000674868214 487639555 /nfs/dbraw/zinc/63/95/55/487639555.db2.gz OPJSOWGOSQAOPP-WCBMZHEXSA-N 0 1 209.293 2.171 20 0 BEADMN CCC[C@@]1(NCc2ncccc2F)CCOC1 ZINC001652446352 1173083387 /nfs/dbraw/zinc/08/33/87/1173083387.db2.gz IPAVDHJMPVPJHB-CYBMUJFWSA-N 0 1 238.306 2.270 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2CC[C@H](C)C2)[nH]1 ZINC001652464150 1173086397 /nfs/dbraw/zinc/08/63/97/1173086397.db2.gz VOZSITWNEPMGTC-QWRGUYRKSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2CC=CCC2)[nH]1 ZINC001652463797 1173087972 /nfs/dbraw/zinc/08/79/72/1173087972.db2.gz OLXGAQWJICZBGD-NSHDSACASA-N 0 1 247.342 2.335 20 0 BEADMN COCC1CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428217436 224874809 /nfs/dbraw/zinc/87/48/09/224874809.db2.gz JOASWVYBZGECPU-GFCCVEGCSA-N 0 1 249.358 2.204 20 0 BEADMN CCn1ncnc1CN1CCC[C@@H]1C(C)(C)C ZINC000487905507 225332153 /nfs/dbraw/zinc/33/21/53/225332153.db2.gz FPGJZIGQBRKTAD-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN COCCN(Cc1ncccn1)[C@@H]1CCC[C@H]1C ZINC000488088751 225345849 /nfs/dbraw/zinc/34/58/49/225345849.db2.gz ILNLCNMJCMZXQB-CHWSQXEVSA-N 0 1 249.358 2.114 20 0 BEADMN CC(C)(C)OCCCN1CCOC(C)(C)C1 ZINC000674904125 487648029 /nfs/dbraw/zinc/64/80/29/487648029.db2.gz KIDGNGZAXMKFBA-UHFFFAOYSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@H](NCC1(C(F)(F)F)CC1)c1cnccn1 ZINC000507243099 226368097 /nfs/dbraw/zinc/36/80/97/226368097.db2.gz KBGRWCXJLXUJIV-QMMMGPOBSA-N 0 1 245.248 2.470 20 0 BEADMN COCCn1cc(C[N@@H+](C)[C@H](C)C(C)C)cn1 ZINC000507234297 226368103 /nfs/dbraw/zinc/36/81/03/226368103.db2.gz XCTQJAWIEHOMAT-GFCCVEGCSA-N 0 1 239.363 2.006 20 0 BEADMN C[N@@H+](CCOCc1ccccc1)[C@@H]1CCCOC1 ZINC000674912644 487653342 /nfs/dbraw/zinc/65/33/42/487653342.db2.gz LCSXYJJIPMOMRA-OAHLLOKOSA-N 0 1 249.354 2.314 20 0 BEADMN Cc1noc([C@H](C)N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000674911810 487653387 /nfs/dbraw/zinc/65/33/87/487653387.db2.gz NILKWKQLFTZKMB-JMJZKYOTSA-N 0 1 221.304 2.171 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@H](N)c1ccccc1 ZINC000398050381 262714105 /nfs/dbraw/zinc/71/41/05/262714105.db2.gz VXIPQAUHTKLZDO-BXUZGUMPSA-N 0 1 246.354 2.381 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cnccc2N(C)C)C1 ZINC000273688845 487655721 /nfs/dbraw/zinc/65/57/21/487655721.db2.gz LIMHUYKNSNGREA-NSHDSACASA-N 0 1 247.342 2.020 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)C(C)(F)F ZINC000328328383 487657594 /nfs/dbraw/zinc/65/75/94/487657594.db2.gz GSZBGWSEKPNPJJ-BQBZGAKWSA-N 0 1 231.246 2.253 20 0 BEADMN CCCC[C@H](NC(=O)[C@H](C)N(C)C)C1CCC1 ZINC000674967991 487661841 /nfs/dbraw/zinc/66/18/41/487661841.db2.gz XYQFLCZXEMOYGK-AAEUAGOBSA-N 0 1 240.391 2.412 20 0 BEADMN CCC(C)(C)N1CCN(C(=O)C2(C)CC2)CC1 ZINC000655272715 487663321 /nfs/dbraw/zinc/66/33/21/487663321.db2.gz XRHJUGUKNBCFJS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(C)(C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000655273289 487663611 /nfs/dbraw/zinc/66/36/11/487663611.db2.gz MHJQQXYWGHLKLT-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC(C)C1 ZINC000557481760 322938082 /nfs/dbraw/zinc/93/80/82/322938082.db2.gz QYABJLGUQXWMBJ-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000456821709 487665902 /nfs/dbraw/zinc/66/59/02/487665902.db2.gz QAFLDQDJABQLFD-NWDGAFQWSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ncn(C)n1 ZINC000391847863 262756417 /nfs/dbraw/zinc/75/64/17/262756417.db2.gz PMUWQOLBRJJMQW-WCFLWFBJSA-N 0 1 248.374 2.435 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCOC2(C)C)s1 ZINC000391875659 262756547 /nfs/dbraw/zinc/75/65/47/262756547.db2.gz NCIQVZWGGIIBCJ-IONNQARKSA-N 0 1 241.360 2.065 20 0 BEADMN OC[C@@]1(F)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459539427 229171164 /nfs/dbraw/zinc/17/11/64/229171164.db2.gz JOUDFZNHHVWMNH-OAHLLOKOSA-N 0 1 249.329 2.470 20 0 BEADMN CO[C@H]1C[C@@H](NCc2cscn2)C12CCC2 ZINC000308338515 229226571 /nfs/dbraw/zinc/22/65/71/229226571.db2.gz GDRLTOQGICMHPU-MNOVXSKESA-N 0 1 238.356 2.190 20 0 BEADMN O=C([O-])c1ccccc1C[N@@H+]1CC=CCC1 ZINC000075423193 487673246 /nfs/dbraw/zinc/67/32/46/487673246.db2.gz UMROTLMSHNJNPN-UHFFFAOYSA-N 0 1 217.268 2.147 20 0 BEADMN Cc1ccc(CN2CCCOC[C@H]2C)cn1 ZINC000680934291 487674416 /nfs/dbraw/zinc/67/44/16/487674416.db2.gz MROUQLUMHASKOW-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000675148112 487675115 /nfs/dbraw/zinc/67/51/15/487675115.db2.gz AOMMUZFXYQVVBN-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3CCCCS3)n2)C1 ZINC000087682064 487679388 /nfs/dbraw/zinc/67/93/88/487679388.db2.gz FROXYHOHUQYRFL-RKDXNWHRSA-N 0 1 239.344 2.452 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)CCc1cnc[nH]1 ZINC000457189066 487682187 /nfs/dbraw/zinc/68/21/87/487682187.db2.gz HETMJAZRFSRBCQ-JTQLQIEISA-N 0 1 237.347 2.283 20 0 BEADMN c1cn2c(n1)[C@H](NCCc1cscn1)CCC2 ZINC000655724302 487683705 /nfs/dbraw/zinc/68/37/05/487683705.db2.gz UGBRYUIEUJKRFC-LLVKDONJSA-N 0 1 248.355 2.007 20 0 BEADMN Fc1cnccc1CN1CC[C@@H]1C1CC1 ZINC000336216403 487690394 /nfs/dbraw/zinc/69/03/94/487690394.db2.gz YGOKBXRANPORFS-GFCCVEGCSA-N 0 1 206.264 2.205 20 0 BEADMN CCC1(CNCc2ncnn2C(C)C)CC1 ZINC000233064436 487691698 /nfs/dbraw/zinc/69/16/98/487691698.db2.gz NNKJQWWXKWDNSL-UHFFFAOYSA-N 0 1 222.336 2.139 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000308909065 487692921 /nfs/dbraw/zinc/69/29/21/487692921.db2.gz FVTPWSUSJUCVQT-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](CO)NCc1c(F)ccc(F)c1Cl ZINC000527681489 262870997 /nfs/dbraw/zinc/87/09/97/262870997.db2.gz BRMXRZRRARHULX-SSDOTTSWSA-N 0 1 249.688 2.479 20 0 BEADMN Cc1ncccc1CN[C@@H](C)c1cncnc1C ZINC000527985037 262898548 /nfs/dbraw/zinc/89/85/48/262898548.db2.gz GGNCRLLDDBYVEA-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN COc1ccc(CN(C)CC[C@H](C)O)c(F)c1 ZINC000228635049 487698923 /nfs/dbraw/zinc/69/89/23/487698923.db2.gz FRJRNYNVAQLFRF-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000044987300 487704435 /nfs/dbraw/zinc/70/44/35/487704435.db2.gz IUARHXJTBCIERL-NWDGAFQWSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ccc2c(c1)CN([C@@H]1CCCOC1)CCO2 ZINC000671723403 487708647 /nfs/dbraw/zinc/70/86/47/487708647.db2.gz RZGLWXCFDPELDZ-CQSZACIVSA-N 0 1 247.338 2.368 20 0 BEADMN COc1ccccc1C[C@H](C)N(C)CC(C)=O ZINC000088198434 487709402 /nfs/dbraw/zinc/70/94/02/487709402.db2.gz WEWPFEBOZOOYNR-NSHDSACASA-N 0 1 235.327 2.147 20 0 BEADMN CC[C@H](c1ccncc1)N(C)Cc1cn[nH]c1 ZINC000683899316 487710751 /nfs/dbraw/zinc/71/07/51/487710751.db2.gz DETNEXOZMQMGFK-CYBMUJFWSA-N 0 1 230.315 2.388 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000669712949 487716307 /nfs/dbraw/zinc/71/63/07/487716307.db2.gz CFGJISKXLZZISX-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(F)ccc1NC(=O)[C@H](C)N(C)C ZINC000674244938 487717682 /nfs/dbraw/zinc/71/76/82/487717682.db2.gz SVKIEIPJGCMNTR-VIFPVBQESA-N 0 1 224.279 2.023 20 0 BEADMN c1cc(CN2CCCCC2)n(CC2CC2)n1 ZINC000667712795 487727589 /nfs/dbraw/zinc/72/75/89/487727589.db2.gz PXMMMJHPGAMACV-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN C[N@@H+](Cc1c[nH]cn1)CC1Cc2ccccc2C1 ZINC000668422256 487727845 /nfs/dbraw/zinc/72/78/45/487727845.db2.gz WAVCXYNKRDDNMZ-UHFFFAOYSA-N 0 1 241.338 2.257 20 0 BEADMN C[N@H+](Cc1c[nH]cn1)CC1Cc2ccccc2C1 ZINC000668422256 487727846 /nfs/dbraw/zinc/72/78/46/487727846.db2.gz WAVCXYNKRDDNMZ-UHFFFAOYSA-N 0 1 241.338 2.257 20 0 BEADMN COc1ccc(CN(C)Cc2cnc[nH]2)c(F)c1 ZINC000668422175 487727747 /nfs/dbraw/zinc/72/77/47/487727747.db2.gz SGISNSYTOXHUQQ-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN CC(C)(C)OCCCN1CCOCC12CCC2 ZINC000676716522 487729041 /nfs/dbraw/zinc/72/90/41/487729041.db2.gz KPNNWXTTZAFFSO-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000250802752 487741239 /nfs/dbraw/zinc/74/12/39/487741239.db2.gz PHFDSVAHDSSISV-ZFWWWQNUSA-N 0 1 245.322 2.471 20 0 BEADMN Cc1cccc(Cc2nc([C@H]3CCCN3)no2)c1 ZINC000071396447 487744716 /nfs/dbraw/zinc/74/47/16/487744716.db2.gz QENYGAYQQRTZNQ-GFCCVEGCSA-N 0 1 243.310 2.393 20 0 BEADMN Cc1cc(CNc2nc(C)nc(C)c2C)n[nH]1 ZINC000675548615 487747028 /nfs/dbraw/zinc/74/70/28/487747028.db2.gz VNUCKHHZFQPVAB-UHFFFAOYSA-N 0 1 231.303 2.045 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000390410103 487749577 /nfs/dbraw/zinc/74/95/77/487749577.db2.gz FSBANASCBLJQAA-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cc(NCCCCC(=O)[O-])nc(C)[nH+]1 ZINC000088759874 487749809 /nfs/dbraw/zinc/74/98/09/487749809.db2.gz DOSZVUAQNYLPJQ-UHFFFAOYSA-N 0 1 237.303 2.014 20 0 BEADMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000743850751 585140618 /nfs/dbraw/zinc/14/06/18/585140618.db2.gz TZEVLIBEJXLBQG-ZETCQYMHSA-N 0 1 249.141 2.201 20 0 BEADMN C[C@H](O)CN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000743850751 585140619 /nfs/dbraw/zinc/14/06/19/585140619.db2.gz TZEVLIBEJXLBQG-ZETCQYMHSA-N 0 1 249.141 2.201 20 0 BEADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674263580 487757436 /nfs/dbraw/zinc/75/74/36/487757436.db2.gz LGZXQAZDTYWHDH-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCC[C@H]1CCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674263578 487757460 /nfs/dbraw/zinc/75/74/60/487757460.db2.gz LGZXQAZDTYWHDH-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CCC(=O)CCN1CC(C)(C)OCC1(C)C ZINC000753725511 585267327 /nfs/dbraw/zinc/26/73/27/585267327.db2.gz VBEPCHGDAHSDGM-UHFFFAOYSA-N 0 1 227.348 2.245 20 0 BEADMN CC[C@@H]1CN(C)CCN1c1cc(C(C)C)ncn1 ZINC000555249739 487772766 /nfs/dbraw/zinc/77/27/66/487772766.db2.gz ZCMRHEYUAJHGLR-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN CC[C@@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000183946044 487773218 /nfs/dbraw/zinc/77/32/18/487773218.db2.gz BVPKJDGZYHFHPM-SECBINFHSA-N 0 1 228.361 2.047 20 0 BEADMN C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000385416301 487785041 /nfs/dbraw/zinc/78/50/41/487785041.db2.gz VKLUSMYWDAMQJG-GXTWGEPZSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1Cc1cccc(N(C)C)c1 ZINC000675897439 487789595 /nfs/dbraw/zinc/78/95/95/487789595.db2.gz WZQKBTUEMCSXFI-OLZOCXBDSA-N 0 1 248.370 2.362 20 0 BEADMN COCCC1CN(Cc2ccc(C)o2)C1 ZINC000668472582 487798894 /nfs/dbraw/zinc/79/88/94/487798894.db2.gz MAFKICZBFPTHPH-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN Cc1ccccc1[C@H](CO)NCc1cncs1 ZINC000676045300 487802463 /nfs/dbraw/zinc/80/24/63/487802463.db2.gz QVDMRHIPFPFQAK-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cc(CN2CC[C@H](c3ccco3)C2)nn1C ZINC000676038738 487803375 /nfs/dbraw/zinc/80/33/75/487803375.db2.gz CRYMRDRHFZGAJH-LBPRGKRZSA-N 0 1 245.326 2.311 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1nc(C)sc1C ZINC000223930798 487803097 /nfs/dbraw/zinc/80/30/97/487803097.db2.gz FWDBFCGYJFCGNJ-JGVFFNPUSA-N 0 1 228.361 2.445 20 0 BEADMN COc1ccc(CN(C)Cc2cnc[nH]2)cc1F ZINC000681508347 487807446 /nfs/dbraw/zinc/80/74/46/487807446.db2.gz OTTGBBDCPOKFJQ-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ncc[nH]1 ZINC000414356024 487808041 /nfs/dbraw/zinc/80/80/41/487808041.db2.gz ZRAPDZHQWMMXER-IVZWLZJFSA-N 0 1 217.272 2.209 20 0 BEADMN COc1cccc(CN(C)C2CC2)c1F ZINC000192940640 487808625 /nfs/dbraw/zinc/80/86/25/487808625.db2.gz GRCSRRZQJUAXBS-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN C[C@H](NCc1nccs1)[C@H]1CC1(F)F ZINC000666444011 487810693 /nfs/dbraw/zinc/81/06/93/487810693.db2.gz AZEYVNNIXKXGFH-NKWVEPMBSA-N 0 1 218.272 2.276 20 0 BEADMN CC[C@H](NCc1nccs1)[C@@H](O)C(C)C ZINC000666446715 487811505 /nfs/dbraw/zinc/81/15/05/487811505.db2.gz HSHGBALAOKJVEL-ONGXEEELSA-N 0 1 228.361 2.028 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1ccncc1F ZINC000336225866 487813345 /nfs/dbraw/zinc/81/33/45/487813345.db2.gz JZSNRBHDNKAPOA-LBPRGKRZSA-N 0 1 208.280 2.451 20 0 BEADMN CC(C)(C)OCCCN1CCO[C@H](C2CC2)C1 ZINC000681594505 487819264 /nfs/dbraw/zinc/81/92/64/487819264.db2.gz SWNSXLDYQDHWST-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@](C)(CNCc1nccn1C(F)F)OC ZINC000322714979 487821418 /nfs/dbraw/zinc/82/14/18/487821418.db2.gz QTDVJGHHHOUTIX-NSHDSACASA-N 0 1 247.289 2.183 20 0 BEADMN CC(C)[C@@H](C(=O)OCCC(C)(F)F)N(C)C ZINC000798864583 586152108 /nfs/dbraw/zinc/15/21/08/586152108.db2.gz LAQHFJMYBUMUOG-VIFPVBQESA-N 0 1 237.290 2.161 20 0 BEADMN CC(C)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810549624 586541246 /nfs/dbraw/zinc/54/12/46/586541246.db2.gz QAVVXPAQCDANIG-GFCCVEGCSA-N 0 1 231.311 2.151 20 0 BEADMN CC1(C)CN[C@H]1c1nc(-c2ccsc2)no1 ZINC000666570913 487831949 /nfs/dbraw/zinc/83/19/49/487831949.db2.gz HNMGFMGZPQYICQ-QMMMGPOBSA-N 0 1 235.312 2.469 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1c(C2CC2)cnn1C ZINC000668090783 487834475 /nfs/dbraw/zinc/83/44/75/487834475.db2.gz SCRKSZVXCQLIIY-NXEZZACHSA-N 0 1 219.332 2.280 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1(C)CCC1 ZINC000389750568 487834419 /nfs/dbraw/zinc/83/44/19/487834419.db2.gz YVJJGSLNUGRTTI-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CO[C@@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000681670971 487836083 /nfs/dbraw/zinc/83/60/83/487836083.db2.gz RIAQIBYLMSLPHP-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1SCCN(CCOC(F)F)[C@@H]1C ZINC000851777485 588627187 /nfs/dbraw/zinc/62/71/87/588627187.db2.gz SYKQXMCSMUNOTH-HTQZYQBOSA-N 0 1 225.304 2.051 20 0 BEADMN CCc1nc(CN[C@@H](CC)[C@@H](O)CC)cs1 ZINC000313151485 322949308 /nfs/dbraw/zinc/94/93/08/322949308.db2.gz LNLIDCSLEOTJNR-QWRGUYRKSA-N 0 1 242.388 2.345 20 0 BEADMN CC1=CC[C@@](C)(C(=O)NCc2cnc[nH]2)CC1 ZINC000668995324 487843748 /nfs/dbraw/zinc/84/37/48/487843748.db2.gz KUDKSOYDGUTPCF-CYBMUJFWSA-N 0 1 233.315 2.162 20 0 BEADMN O=C(NCc1cnc[nH]1)C1CCC(C2CC2)CC1 ZINC000668996412 487844924 /nfs/dbraw/zinc/84/49/24/487844924.db2.gz ZGNJFAOGELRMAF-UHFFFAOYSA-N 0 1 247.342 2.242 20 0 BEADMN CCc1noc(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000681710986 487846597 /nfs/dbraw/zinc/84/65/97/487846597.db2.gz ANEAUYGCNPKKPF-UWVGGRQHSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nc(SCc2ccc(C)cn2)n[nH]1 ZINC000676407816 487847422 /nfs/dbraw/zinc/84/74/22/487847422.db2.gz LNVVXINKOMPPLA-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2ccc(C)cn2)n1 ZINC000676407816 487847426 /nfs/dbraw/zinc/84/74/26/487847426.db2.gz LNVVXINKOMPPLA-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ncc[nH]1 ZINC000671763960 487848965 /nfs/dbraw/zinc/84/89/65/487848965.db2.gz PEGVQXMJMKOAQS-IWSPIJDZSA-N 0 1 245.273 2.221 20 0 BEADMN COc1ncncc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911161 487858527 /nfs/dbraw/zinc/85/85/27/487858527.db2.gz FNONCJVYKOIUPJ-CMPLNLGQSA-N 0 1 249.358 2.400 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304159883 487873090 /nfs/dbraw/zinc/87/30/90/487873090.db2.gz BGZVOTHAMZZAIB-KOLCDFICSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1cc2cc[nH]c2cc1NC(=O)[C@H](C)N(C)C ZINC000682006594 487878074 /nfs/dbraw/zinc/87/80/74/487878074.db2.gz XIUROLAZUSJUKZ-JTQLQIEISA-N 0 1 245.326 2.365 20 0 BEADMN CCc1noc(C)c1CN1CCCOC[C@@H]1C ZINC000676711775 487898469 /nfs/dbraw/zinc/89/84/69/487898469.db2.gz IALOLAYCNHUTIG-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000229305037 487902240 /nfs/dbraw/zinc/90/22/40/487902240.db2.gz JJWVYSDGDJARCW-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN Cn1ccc(CNC[C@H]2CCC3(CCCC3)O2)n1 ZINC000229303555 487902721 /nfs/dbraw/zinc/90/27/21/487902721.db2.gz YVZQITQNFMSYQK-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN CC(C)N(C(=O)[C@H](C)N1CC=CCC1)C(C)C ZINC000679323325 487903808 /nfs/dbraw/zinc/90/38/08/487903808.db2.gz HTIZUJMGNPDLKO-ZDUSSCGKSA-N 0 1 238.375 2.282 20 0 BEADMN Cc1ccsc1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000083405028 487907184 /nfs/dbraw/zinc/90/71/84/487907184.db2.gz PVRCIBNFDQTRLR-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN CC(C)CNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000083368846 487908159 /nfs/dbraw/zinc/90/81/59/487908159.db2.gz OGEOSWBWFMPUDW-LLVKDONJSA-N 0 1 240.734 2.112 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C)c(F)c1 ZINC000083410982 487908481 /nfs/dbraw/zinc/90/84/81/487908481.db2.gz PVKMQQTYRLCFGX-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN Fc1ccc(CNC[C@@H]2CCCO2)c(F)c1F ZINC000083373483 487909370 /nfs/dbraw/zinc/90/93/70/487909370.db2.gz BKLWZMJEIXDOEB-VIFPVBQESA-N 0 1 245.244 2.373 20 0 BEADMN C[C@H]1CC(NC(=O)C2(N(C)C)CC2)C[C@H](C)C1 ZINC000669050974 487911290 /nfs/dbraw/zinc/91/12/90/487911290.db2.gz VIBMOQWRGZXEAF-GHMZBOCLSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCN1C)c1ccsc1 ZINC000669900206 487912303 /nfs/dbraw/zinc/91/23/03/487912303.db2.gz HVXFHQRARZWHLC-MWLCHTKSSA-N 0 1 238.356 2.020 20 0 BEADMN CC1CCC(O)(CNCc2cscn2)CC1 ZINC000083468454 487914124 /nfs/dbraw/zinc/91/41/24/487914124.db2.gz IYCKBEMCMNBLDE-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN CC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000682220723 487928109 /nfs/dbraw/zinc/92/81/09/487928109.db2.gz FZAUYFRHWYWNRZ-JDGPPOGSSA-N 0 1 228.299 2.060 20 0 BEADMN Cc1nc(CN2CCc3cn[nH]c3C2)sc1C ZINC000676794625 487931605 /nfs/dbraw/zinc/93/16/05/487931605.db2.gz YFMHUCMWRVMTFY-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CCOCCNc1cc[nH+]c2c([O-])cccc12 ZINC000682239196 487933564 /nfs/dbraw/zinc/93/35/64/487933564.db2.gz CXMADCGITQKOAR-UHFFFAOYSA-N 0 1 232.283 2.389 20 0 BEADMN COCCCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000682238897 487933823 /nfs/dbraw/zinc/93/38/23/487933823.db2.gz RAEXJCVXSPFIJA-UHFFFAOYSA-N 0 1 246.310 2.413 20 0 BEADMN Cc1cncc(CN2CCCOC[C@H]2C)c1 ZINC000682368520 487941303 /nfs/dbraw/zinc/94/13/03/487941303.db2.gz VLNPAUCWADFANJ-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC000652399886 487945804 /nfs/dbraw/zinc/94/58/04/487945804.db2.gz LCFPHDDPTJYCIM-JTQLQIEISA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(O)cc1 ZINC000682406171 487948920 /nfs/dbraw/zinc/94/89/20/487948920.db2.gz CTIXQOMYMTXAKW-HNNXBMFYSA-N 0 1 248.370 2.164 20 0 BEADMN CCC(CC)(CC)C(=O)NCCN1CCC1 ZINC000676949378 487949219 /nfs/dbraw/zinc/94/92/19/487949219.db2.gz ZWQHVPBAQBQPJN-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC1(C)C ZINC000652443549 487951973 /nfs/dbraw/zinc/95/19/73/487951973.db2.gz CWHBRLYNKYYHNF-MWLCHTKSSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)CC1(C)C ZINC000652443547 487951985 /nfs/dbraw/zinc/95/19/85/487951985.db2.gz CWHBRLYNKYYHNF-GXSJLCMTSA-N 0 1 225.332 2.218 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000666351925 487956441 /nfs/dbraw/zinc/95/64/41/487956441.db2.gz LRSCKOOCCHFFCJ-GHMZBOCLSA-N 0 1 249.358 2.162 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666351927 487956340 /nfs/dbraw/zinc/95/63/40/487956340.db2.gz LRSCKOOCCHFFCJ-QWRGUYRKSA-N 0 1 249.358 2.162 20 0 BEADMN COCC1(N[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000572616892 322968690 /nfs/dbraw/zinc/96/86/90/322968690.db2.gz IYUYLOOVJYVYRI-NSHDSACASA-N 0 1 245.326 2.164 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000560274205 322985066 /nfs/dbraw/zinc/98/50/66/322985066.db2.gz FMWFJKOSVNSDPR-VXGBXAGGSA-N 0 1 249.358 2.041 20 0 BEADMN CCCc1ccc(C(=O)N2CCNC[C@H]2C)cc1 ZINC000125084884 323000720 /nfs/dbraw/zinc/00/07/20/323000720.db2.gz VOOORAXDOPVFFM-GFCCVEGCSA-N 0 1 246.354 2.073 20 0 BEADMN Cc1cnccc1CCN[C@@H](C)c1ccon1 ZINC000566617241 323007288 /nfs/dbraw/zinc/00/72/88/323007288.db2.gz LUISTBWKJBWCOM-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN O=C([O-])c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000128577927 323007360 /nfs/dbraw/zinc/00/73/60/323007360.db2.gz YAJWHSAMWLIXMJ-UHFFFAOYSA-N 0 1 231.295 2.153 20 0 BEADMN Cc1cc(Cc2nc(-c3ccsc3)no2)[nH]n1 ZINC000128951793 323007918 /nfs/dbraw/zinc/00/79/18/323007918.db2.gz UJVFIWKCWJTPPM-UHFFFAOYSA-N 0 1 246.295 2.420 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cncc(F)c1 ZINC000449761004 323008801 /nfs/dbraw/zinc/00/88/01/323008801.db2.gz TXKAHCAQNSCQRJ-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN C[N@H+](CCC1CC1)Cc1ncccc1[O-] ZINC000561950533 323009172 /nfs/dbraw/zinc/00/91/72/323009172.db2.gz GFUDKURFRKJNBF-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ncccc1[O-] ZINC000561950533 323009173 /nfs/dbraw/zinc/00/91/73/323009173.db2.gz GFUDKURFRKJNBF-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN c1cc(CNc2cc3c(cn2)CCCC3)n[nH]1 ZINC000562267179 323014043 /nfs/dbraw/zinc/01/40/43/323014043.db2.gz FIPUPWDPHZHNNL-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CC(C)OC[C@@H]1CN(CC2(C)CCC2)CCO1 ZINC000562410136 323019162 /nfs/dbraw/zinc/01/91/62/323019162.db2.gz AZEFISFLMQWLPE-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)CC1CCCC1 ZINC000562479407 323021601 /nfs/dbraw/zinc/02/16/01/323021601.db2.gz ZSQPOOJAJZBUQL-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000562679070 323027291 /nfs/dbraw/zinc/02/72/91/323027291.db2.gz CTCAOEYSLLTXLM-UHFFFAOYSA-N 0 1 248.370 2.427 20 0 BEADMN COCC[C@H](C)CNc1nc(C(C)C)ns1 ZINC000562723369 323029113 /nfs/dbraw/zinc/02/91/13/323029113.db2.gz LWJIRRQANWUQES-VIFPVBQESA-N 0 1 243.376 2.168 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC=CCC1 ZINC000572973378 323037667 /nfs/dbraw/zinc/03/76/67/323037667.db2.gz VVMZNYUQQUKTEE-RYUDHWBXSA-N 0 1 247.342 2.061 20 0 BEADMN CC(C)(C)[C@H]1CC[C@@H]1NCc1ncccn1 ZINC000569941426 323045499 /nfs/dbraw/zinc/04/54/99/323045499.db2.gz MDZDYYYEUYXQCJ-QWRGUYRKSA-N 0 1 219.332 2.391 20 0 BEADMN CCCn1ncnc1CN(CC1CC1)CC1CC1 ZINC000569984182 323046859 /nfs/dbraw/zinc/04/68/59/323046859.db2.gz CDUVFPQQETVDIO-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1cnc(CCN(C(C)C)C2COC2)c(C)c1 ZINC000570158506 323051338 /nfs/dbraw/zinc/05/13/38/323051338.db2.gz UOLOIKXNJFEGQL-UHFFFAOYSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1cncnc1C ZINC000570176059 323052055 /nfs/dbraw/zinc/05/20/55/323052055.db2.gz NSRSDILNTWOMIB-QMMMGPOBSA-N 0 1 248.355 2.401 20 0 BEADMN Cc1nnc([C@@H](C)NC[C@H]2Cc3ccccc32)o1 ZINC000570537802 323062573 /nfs/dbraw/zinc/06/25/73/323062573.db2.gz FVVRIIWTDUBUDA-BXKDBHETSA-N 0 1 243.310 2.369 20 0 BEADMN Cc1nnc([C@@H](C)NC[C@@H]2Cc3ccccc32)o1 ZINC000570537805 323062637 /nfs/dbraw/zinc/06/26/37/323062637.db2.gz FVVRIIWTDUBUDA-SKDRFNHKSA-N 0 1 243.310 2.369 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@H]1Cc2ccccc21 ZINC000570818226 323071438 /nfs/dbraw/zinc/07/14/38/323071438.db2.gz OZTIAQURGCUVFV-ZYHUDNBSSA-N 0 1 233.311 2.121 20 0 BEADMN C[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1csnn1 ZINC000570908157 323073997 /nfs/dbraw/zinc/07/39/97/323073997.db2.gz XKRGFIROXKZBBC-RGOKHQFPSA-N 0 1 223.345 2.377 20 0 BEADMN COCC1(N[C@H](C)c2cncc(F)c2)CC1 ZINC000309500924 323082264 /nfs/dbraw/zinc/08/22/64/323082264.db2.gz ZQZGLFGVBSBKEU-SECBINFHSA-N 0 1 224.279 2.050 20 0 BEADMN CCc1nc(NC(=O)c2cccn2C(C)C)n[nH]1 ZINC000182246930 323083338 /nfs/dbraw/zinc/08/33/38/323083338.db2.gz LOQPJWIRNMUNEW-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cccn2C(C)C)n1 ZINC000182246930 323083339 /nfs/dbraw/zinc/08/33/39/323083339.db2.gz LOQPJWIRNMUNEW-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000565308863 323084067 /nfs/dbraw/zinc/08/40/67/323084067.db2.gz DFKSJKSJFOUDCL-MRVPVSSYSA-N 0 1 225.313 2.288 20 0 BEADMN CC(C)O[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000563066381 323084074 /nfs/dbraw/zinc/08/40/74/323084074.db2.gz NUUOWOHBQHGXOB-SECBINFHSA-N 0 1 225.254 2.438 20 0 BEADMN CC1(C)CCN1C(=O)c1[nH]nc2ccccc21 ZINC000531325413 323087566 /nfs/dbraw/zinc/08/75/66/323087566.db2.gz OHBJKYJGPOIHBE-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C)[C@@H]2CCCC[C@H]12 ZINC000531416540 323089035 /nfs/dbraw/zinc/08/90/35/323089035.db2.gz MKOWLUAPCGJCSV-JHJVBQTASA-N 0 1 248.374 2.216 20 0 BEADMN CCN(CC)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000046438231 323096899 /nfs/dbraw/zinc/09/68/99/323096899.db2.gz RUUFHVCDZAKGDZ-LBPRGKRZSA-N 0 1 246.354 2.306 20 0 BEADMN C[C@@H]1CC[C@@H](CNc2ncnc3ccsc32)O1 ZINC000397935738 323102015 /nfs/dbraw/zinc/10/20/15/323102015.db2.gz HPUYGEHCZRJTGX-BDAKNGLRSA-N 0 1 249.339 2.093 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CCCCC1 ZINC000570981745 323102769 /nfs/dbraw/zinc/10/27/69/323102769.db2.gz WATQDUMXGMADOY-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN CCCc1noc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000571024260 323104041 /nfs/dbraw/zinc/10/40/41/323104041.db2.gz JOMAGKKRRCAOTK-VWYCJHECSA-N 0 1 235.331 2.300 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCc2ccccc2CC1 ZINC000571027387 323104056 /nfs/dbraw/zinc/10/40/56/323104056.db2.gz CQMFCYZALWOHPT-AWEZNQCLSA-N 0 1 247.338 2.039 20 0 BEADMN CCC[N@@H+](CC)[C@H](CC(C)C)C(=O)[O-] ZINC000563278300 323107617 /nfs/dbraw/zinc/10/76/17/323107617.db2.gz QCKYTGJYCOANRD-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000563290533 323108788 /nfs/dbraw/zinc/10/87/88/323108788.db2.gz WACWSWMWPZEWON-HNNXBMFYSA-N 0 1 247.338 2.371 20 0 BEADMN CO[C@H](C)CN(C)Cc1c(C)nsc1C ZINC000563364462 323121252 /nfs/dbraw/zinc/12/12/52/323121252.db2.gz NIEWVYRLANPPLJ-MRVPVSSYSA-N 0 1 228.361 2.227 20 0 BEADMN Cc1ncc(CN[C@@H]2CCCC[C@H]2F)n1C ZINC000563440225 323125746 /nfs/dbraw/zinc/12/57/46/323125746.db2.gz JSVPGRFEWYLOET-VXGBXAGGSA-N 0 1 225.311 2.099 20 0 BEADMN COc1cccc(CNCc2cnc(C)n2C)c1 ZINC000563439619 323125840 /nfs/dbraw/zinc/12/58/40/323125840.db2.gz GTDSHICWXMKSTO-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN Cc1nc(CNC2CC(C)(F)C2)[nH]c1C ZINC000563441776 323126650 /nfs/dbraw/zinc/12/66/50/323126650.db2.gz UGKYSUMZYSMGCF-UHFFFAOYSA-N 0 1 211.284 2.007 20 0 BEADMN CC[C@@H](NCc1nc(C)c(C)[nH]1)[C@H]1CCCO1 ZINC000563441348 323126685 /nfs/dbraw/zinc/12/66/85/323126685.db2.gz WHQIFRPDGJNLHX-VXGBXAGGSA-N 0 1 237.347 2.074 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)[O-] ZINC000563454634 323127128 /nfs/dbraw/zinc/12/71/28/323127128.db2.gz GEROKZXOVNMXFV-FGWVZKOKSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC12CCC(CC1)C2 ZINC000563453657 323127170 /nfs/dbraw/zinc/12/71/70/323127170.db2.gz LIGCVOADNDVKLX-ZBOXLXRLSA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563454103 323127176 /nfs/dbraw/zinc/12/71/76/323127176.db2.gz IPWJJHJDOXNHRU-RYUDHWBXSA-N 0 1 219.284 2.297 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCF ZINC000310401500 323130966 /nfs/dbraw/zinc/13/09/66/323130966.db2.gz JDOXKEXFHKQKBB-TUAOUCFPSA-N 0 1 243.322 2.454 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000571556004 323147896 /nfs/dbraw/zinc/14/78/96/323147896.db2.gz GNOVNEBGUPIEFK-STQMWFEESA-N 0 1 248.374 2.453 20 0 BEADMN CCCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000571658435 323158301 /nfs/dbraw/zinc/15/83/01/323158301.db2.gz HYDZCHXVQMZNDP-UHFFFAOYSA-N 0 1 211.305 2.258 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2nncn2C)[C@@H]2CCCC[C@@H]12 ZINC000534809745 323160906 /nfs/dbraw/zinc/16/09/06/323160906.db2.gz FPLGZPWOXPVLRV-FRRDWIJNSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2nncn2C)[C@@H]2CCCC[C@@H]12 ZINC000534809745 323160907 /nfs/dbraw/zinc/16/09/07/323160907.db2.gz FPLGZPWOXPVLRV-FRRDWIJNSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)[C@H](C)CO1 ZINC000535070674 323165347 /nfs/dbraw/zinc/16/53/47/323165347.db2.gz JBODNEHYKHNTKQ-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)CC(F)F ZINC000152287130 323170537 /nfs/dbraw/zinc/17/05/37/323170537.db2.gz VXXWGJYTXZEITI-UHFFFAOYSA-N 0 1 245.273 2.179 20 0 BEADMN Cc1ncc(CNCC2(F)CC2)s1 ZINC000308304383 323173695 /nfs/dbraw/zinc/17/36/95/323173695.db2.gz MTNIAFYXIGFQMU-UHFFFAOYSA-N 0 1 200.282 2.043 20 0 BEADMN COC[C@@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000525874364 323182306 /nfs/dbraw/zinc/18/23/06/323182306.db2.gz AHFZYHKIJKJUHA-ZFWWWQNUSA-N 0 1 249.354 2.342 20 0 BEADMN Cc1noc([C@@H](C)N[C@H](C)C2CC(F)(F)C2)n1 ZINC000529558106 323184021 /nfs/dbraw/zinc/18/40/21/323184021.db2.gz SZVSJTDBDCQOTM-RNFRBKRXSA-N 0 1 245.273 2.462 20 0 BEADMN COC1(C[C@H](C)NCc2cc(C)on2)CCC1 ZINC000518877965 323186796 /nfs/dbraw/zinc/18/67/96/323186796.db2.gz ITWZITUVPKICFC-JTQLQIEISA-N 0 1 238.331 2.420 20 0 BEADMN CNC(=O)CN(C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000535723463 323189233 /nfs/dbraw/zinc/18/92/33/323189233.db2.gz LVXUSYWPSMDCGC-ZDUSSCGKSA-N 0 1 248.370 2.351 20 0 BEADMN COCC1(NCc2ccccc2F)CC1 ZINC000309029379 323194505 /nfs/dbraw/zinc/19/45/05/323194505.db2.gz CRFWVSLFVZRNSG-UHFFFAOYSA-N 0 1 209.264 2.094 20 0 BEADMN C[C@@H](N(C)Cc1nccn1C)C(C)(C)C ZINC000532490956 323269035 /nfs/dbraw/zinc/26/90/35/323269035.db2.gz ZVCIVQMCCPPKHB-SNVBAGLBSA-N 0 1 209.337 2.287 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC000532475600 323269854 /nfs/dbraw/zinc/26/98/54/323269854.db2.gz NLUUAJIXACCUGQ-XCCSTKFXSA-N 0 1 248.370 2.443 20 0 BEADMN Cc1ccc(CNCc2ccc(C)nn2)s1 ZINC000396605675 323313086 /nfs/dbraw/zinc/31/30/86/323313086.db2.gz CQERADYFJGKJAB-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CSCCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000309093120 323316362 /nfs/dbraw/zinc/31/63/62/323316362.db2.gz FRBKNGCZHBEYLE-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1ccnc(COc2cc(C)nc(C)c2)n1 ZINC000547814803 323372166 /nfs/dbraw/zinc/37/21/66/323372166.db2.gz ALJRHEOPMXZNEU-UHFFFAOYSA-N 0 1 229.283 2.376 20 0 BEADMN CCOc1ncccc1CNCc1cccn1C ZINC000161622363 323547679 /nfs/dbraw/zinc/54/76/79/323547679.db2.gz DEFVYTVPMIWKNM-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CCC[C@@]1(NCc2nc(C)c(C)[nH]2)CCOC1 ZINC000572304507 323592116 /nfs/dbraw/zinc/59/21/16/323592116.db2.gz RYDDBYAKDCBKIE-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@@H]1CC12CC2 ZINC000527908989 323719295 /nfs/dbraw/zinc/71/92/95/323719295.db2.gz OGOUILBQSIBOMX-VGMNWLOBSA-N 0 1 223.345 2.377 20 0 BEADMN CC(C)c1nsc(NCC2CC=CC2)n1 ZINC000528112982 323766784 /nfs/dbraw/zinc/76/67/84/323766784.db2.gz GHSBXCDYDWDJSX-UHFFFAOYSA-N 0 1 223.345 2.462 20 0 BEADMN Cc1cc(NCC2COC2)c2cc(F)ccc2n1 ZINC000528224239 323784897 /nfs/dbraw/zinc/78/48/97/323784897.db2.gz ALNZQAWDRJZQBE-UHFFFAOYSA-N 0 1 246.285 2.163 20 0 BEADMN CCc1ncc(C[N@@H+](C[C@H](C)O)C(C)C)s1 ZINC000093143333 324037295 /nfs/dbraw/zinc/03/72/95/324037295.db2.gz XRIUOGUYAKFDJH-JTQLQIEISA-N 0 1 242.388 2.297 20 0 BEADMN Cc1ccccc1CN(C)[C@@H]1CCCN(C)C1=O ZINC000537600902 324082986 /nfs/dbraw/zinc/08/29/86/324082986.db2.gz KRYJNQPROQOTMB-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN CO[C@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000537626276 324088994 /nfs/dbraw/zinc/08/89/94/324088994.db2.gz LOURXIZVTGONBL-JTQLQIEISA-N 0 1 238.356 2.241 20 0 BEADMN C[C@](N)(C(=O)NCCCC1CC1)c1ccccc1 ZINC000162820327 324113620 /nfs/dbraw/zinc/11/36/20/324113620.db2.gz IODUGDOWCPZJIW-OAHLLOKOSA-N 0 1 246.354 2.167 20 0 BEADMN CCN(Cc1ccc2ncccc2c1)C1COC1 ZINC000449424557 324140292 /nfs/dbraw/zinc/14/02/92/324140292.db2.gz JQZGMDWINLYVEH-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1ncnn1CC ZINC000193355312 324201215 /nfs/dbraw/zinc/20/12/15/324201215.db2.gz NJFPBWRHFFJJDX-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN COc1ncccc1CN(C)CCC1CC1 ZINC000193442684 324202221 /nfs/dbraw/zinc/20/22/21/324202221.db2.gz NJNCWINQSFRISE-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CC(C)ONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000529447070 324301405 /nfs/dbraw/zinc/30/14/05/324301405.db2.gz XPWWMZGNGLVSGH-JTQLQIEISA-N 0 1 239.702 2.436 20 0 BEADMN Cc1nnc(CN[C@H](C)C2CC(F)(F)C2)s1 ZINC000529542636 324332815 /nfs/dbraw/zinc/33/28/15/324332815.db2.gz QTLZJYIQHRKHNO-ZCFIWIBFSA-N 0 1 247.314 2.370 20 0 BEADMN C[C@@H](NCc1cocn1)C1CC(F)(F)C1 ZINC000529546041 324335293 /nfs/dbraw/zinc/33/52/93/324335293.db2.gz DJSJBWJVEASBKC-SSDOTTSWSA-N 0 1 216.231 2.198 20 0 BEADMN CCC(C)(C)OC1CN(C[C@@H](C)COC)C1 ZINC000529641794 324369516 /nfs/dbraw/zinc/36/95/16/324369516.db2.gz QUZKLPVBBUFQDH-LLVKDONJSA-N 0 1 229.364 2.158 20 0 BEADMN CCC(C)(C)OC1CN(C[C@H](C)COC)C1 ZINC000529641796 324369567 /nfs/dbraw/zinc/36/95/67/324369567.db2.gz QUZKLPVBBUFQDH-NSHDSACASA-N 0 1 229.364 2.158 20 0 BEADMN CCC1CCN(CN2CC(C)(C)OC2=O)CC1 ZINC000123806119 324602325 /nfs/dbraw/zinc/60/23/25/324602325.db2.gz VFYLSLCRTQLUIY-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN Cc1c(CN[C@H](C)c2ccoc2)cnn1C ZINC000126297227 324691951 /nfs/dbraw/zinc/69/19/51/324691951.db2.gz LEDPYIDPQNJVRH-SECBINFHSA-N 0 1 219.288 2.172 20 0 BEADMN Cc1nc2c(n1[C@H](C)[C@H](C)O)CCCC2 ZINC000127363808 324763133 /nfs/dbraw/zinc/76/31/33/324763133.db2.gz CAGNBVHWCLIJRV-BDAKNGLRSA-N 0 1 208.305 2.012 20 0 BEADMN Fc1ccc(CSc2cn[nH]n2)cc1 ZINC000071258604 325064918 /nfs/dbraw/zinc/06/49/18/325064918.db2.gz SLHMDXPPZCOXTQ-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN CCc1cnc(CN[C@@H](COC)C2CC2)s1 ZINC000130680952 325080228 /nfs/dbraw/zinc/08/02/28/325080228.db2.gz VUXNIYVYUCXWDH-NSHDSACASA-N 0 1 240.372 2.220 20 0 BEADMN Cc1cnc(CN[C@H](CO)C2CCCCC2)o1 ZINC000543841076 325116708 /nfs/dbraw/zinc/11/67/08/325116708.db2.gz YXENDRYADRPHMM-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN CN(CCC1CC1)C(=O)c1cccc2c[nH]nc21 ZINC000131120460 325119566 /nfs/dbraw/zinc/11/95/66/325119566.db2.gz HLKUPIJKRNEFTH-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CCC[C@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000131411859 325146665 /nfs/dbraw/zinc/14/66/65/325146665.db2.gz FHNVYECIQIQQQL-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN CCC[C@H]1CN(CCOC(C)(C)C)CCO1 ZINC000131425895 325148857 /nfs/dbraw/zinc/14/88/57/325148857.db2.gz KYQBTLIROVNZMH-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CC(C)(C)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073973517 325220898 /nfs/dbraw/zinc/22/08/98/325220898.db2.gz VQDJDBGMSUHDKB-UHFFFAOYSA-N 0 1 248.286 2.439 20 0 BEADMN CCc1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000545523813 325226821 /nfs/dbraw/zinc/22/68/21/325226821.db2.gz YEDTWUBSXRNUKE-UHFFFAOYSA-N 0 1 230.227 2.282 20 0 BEADMN CC[C@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564294896 325240116 /nfs/dbraw/zinc/24/01/16/325240116.db2.gz LRZPPKGZYDHNAI-JTQLQIEISA-N 0 1 206.289 2.019 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564294896 325240120 /nfs/dbraw/zinc/24/01/20/325240120.db2.gz LRZPPKGZYDHNAI-JTQLQIEISA-N 0 1 206.289 2.019 20 0 BEADMN CC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000074732336 325259318 /nfs/dbraw/zinc/25/93/18/325259318.db2.gz QYGRANUDLAOPMI-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CC(C)(C)[C@@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000546577722 325287973 /nfs/dbraw/zinc/28/79/73/325287973.db2.gz PXSKBRCYQXAQQL-SNVBAGLBSA-N 0 1 247.342 2.053 20 0 BEADMN CNC(=O)C[N@H+]1CCCC[C@H]1CCC(C)C ZINC000133357740 325289655 /nfs/dbraw/zinc/28/96/55/325289655.db2.gz PUASUOUOYXXKML-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cn(C(C)C)nc1C ZINC000546656571 325299617 /nfs/dbraw/zinc/29/96/17/325299617.db2.gz BCGLYQOFBDXRJR-QWHCGFSZSA-N 0 1 237.347 2.039 20 0 BEADMN C[C@@H](NCc1cccn1C)c1ccoc1 ZINC000133965391 325333373 /nfs/dbraw/zinc/33/33/73/325333373.db2.gz WZJVIIYHGRHGQV-SNVBAGLBSA-N 0 1 204.273 2.469 20 0 BEADMN Cc1cccc(NC[C@@H](CO)Cc2ccco2)n1 ZINC000547465051 325358952 /nfs/dbraw/zinc/35/89/52/325358952.db2.gz SUAIUAAZDQSVKR-LBPRGKRZSA-N 0 1 246.310 2.246 20 0 BEADMN CCC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000134704972 325372462 /nfs/dbraw/zinc/37/24/62/325372462.db2.gz DDQHSSWVYMKXPB-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cnc([C@H](C)CNCc2ncc[nH]2)s1 ZINC000134989554 325386891 /nfs/dbraw/zinc/38/68/91/325386891.db2.gz VBOGJQPCQNPACC-MRVPVSSYSA-N 0 1 236.344 2.068 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@H]1CCc2ccccc2NC1=O ZINC000547769370 325394747 /nfs/dbraw/zinc/39/47/47/325394747.db2.gz LKZASXVBFGXZCB-GYSYKLTISA-N 0 1 244.338 2.423 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)N(C)Cc1ccccc1 ZINC000547769359 325394904 /nfs/dbraw/zinc/39/49/04/325394904.db2.gz JHMUERZUCUGJDX-CHWSQXEVSA-N 0 1 246.354 2.128 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CCOCC(F)(F)C(F)F ZINC000547770072 325395614 /nfs/dbraw/zinc/39/56/14/325395614.db2.gz DFPRYXLJQPTEKT-HTQZYQBOSA-N 0 1 243.244 2.386 20 0 BEADMN Cc1cc(OCCC(C)(C)O)cc(C)n1 ZINC000548283222 325444426 /nfs/dbraw/zinc/44/44/26/325444426.db2.gz RSFSNOROZGONQI-UHFFFAOYSA-N 0 1 209.289 2.238 20 0 BEADMN C1CO[C@H](c2noc([C@@H]3CCCCCN3)n2)C1 ZINC000087800884 325641362 /nfs/dbraw/zinc/64/13/62/325641362.db2.gz VEVCENGZHPMEHI-UWVGGRQHSA-N 0 1 237.303 2.126 20 0 BEADMN CC(=O)N1CCN([C@H]2C=CCCCCC2)CC1 ZINC000556104150 325779028 /nfs/dbraw/zinc/77/90/28/325779028.db2.gz LUXKEBXWSNHDRI-AWEZNQCLSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1c(Cl)c(CNC2(C)CCC2)nn1C ZINC000564808578 325811065 /nfs/dbraw/zinc/81/10/65/325811065.db2.gz LJKHIZBEGRQFIQ-UHFFFAOYSA-N 0 1 227.739 2.414 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N1CC(C)C1)c1ccccc1 ZINC000565182761 325870774 /nfs/dbraw/zinc/87/07/74/325870774.db2.gz UQWBOYCRRLSARE-CHWSQXEVSA-N 0 1 246.354 2.204 20 0 BEADMN CCCN(Cc1nc(C2CC2)nn1C)CC1CC1 ZINC000566166375 326005049 /nfs/dbraw/zinc/00/50/49/326005049.db2.gz DDEVFMJZELBXCD-UHFFFAOYSA-N 0 1 248.374 2.315 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CC=CCC1 ZINC000566407278 326040590 /nfs/dbraw/zinc/04/05/90/326040590.db2.gz QOYOZQIWEHSKSH-GXTWGEPZSA-N 0 1 244.338 2.220 20 0 BEADMN CCCC1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000566443729 326048430 /nfs/dbraw/zinc/04/84/30/326048430.db2.gz ZIXVNQAZCSALLH-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN C[N@H+](Cc1ncccc1O)CC1CCC1 ZINC000566530338 326062100 /nfs/dbraw/zinc/06/21/00/326062100.db2.gz OMMGVKOGTGWGIL-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])CC1CCC1 ZINC000566530338 326062101 /nfs/dbraw/zinc/06/21/01/326062101.db2.gz OMMGVKOGTGWGIL-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])CC1CCC1 ZINC000566530338 326062102 /nfs/dbraw/zinc/06/21/02/326062102.db2.gz OMMGVKOGTGWGIL-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN OC1(CNCc2nc(C3CC3)cs2)CCC1 ZINC000566556324 326063877 /nfs/dbraw/zinc/06/38/77/326063877.db2.gz GJFJTEZMJVSIIV-UHFFFAOYSA-N 0 1 238.356 2.025 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153954301 326122209 /nfs/dbraw/zinc/12/22/09/326122209.db2.gz HVFRVNKFBPDRTQ-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN OCc1ccc(CNCC2(C(F)(F)F)CC2)o1 ZINC000567152777 326125159 /nfs/dbraw/zinc/12/51/59/326125159.db2.gz UFQALZFIDBECPL-UHFFFAOYSA-N 0 1 249.232 2.204 20 0 BEADMN CC(C)[C@H]1CN(C)CCN1C(=O)CC(C)(C)C ZINC000154013703 326125179 /nfs/dbraw/zinc/12/51/79/326125179.db2.gz CFEBWOYFKCVHDP-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](NCc1ccccc1CO)c1ccccn1 ZINC000154090180 326129792 /nfs/dbraw/zinc/12/97/92/326129792.db2.gz LXJSRTUFGGSLJS-GFCCVEGCSA-N 0 1 242.322 2.425 20 0 BEADMN COc1ccc(CN(C)C2CC2)c(F)c1 ZINC000567240478 326148763 /nfs/dbraw/zinc/14/87/63/326148763.db2.gz VVMSPYNQQMDLIE-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN CC(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000567288463 326156108 /nfs/dbraw/zinc/15/61/08/326156108.db2.gz PWBUDCGVFKXSKT-VXGBXAGGSA-N 0 1 249.358 2.093 20 0 BEADMN COCc1cnc(CN[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000309878089 326172945 /nfs/dbraw/zinc/17/29/45/326172945.db2.gz UFDIDSACLIOBRU-IAZYJMLFSA-N 0 1 238.356 2.178 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cnc(C2CC2)s1 ZINC000309966631 326177506 /nfs/dbraw/zinc/17/75/06/326177506.db2.gz NSLCOSZIZLKWJM-MNOVXSKESA-N 0 1 238.356 2.288 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC1CCC1 ZINC000155172230 326187503 /nfs/dbraw/zinc/18/75/03/326187503.db2.gz GMVIDXQQCPSUTE-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@H](C)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155674749 326207303 /nfs/dbraw/zinc/20/73/03/326207303.db2.gz QIXLTWLUTJECID-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC(=O)Nc1cccc(CSc2cn[nH]n2)c1 ZINC000156007894 326216350 /nfs/dbraw/zinc/21/63/50/326216350.db2.gz UUDIAYOSKHCMLL-UHFFFAOYSA-N 0 1 248.311 2.055 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]1C ZINC000677176848 487971911 /nfs/dbraw/zinc/97/19/11/487971911.db2.gz RGTHJMXPDUXVDI-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1ncsc1CNC1(CF)CCC1 ZINC000567588405 326224062 /nfs/dbraw/zinc/22/40/62/326224062.db2.gz YGJMQHXIZPEYLK-UHFFFAOYSA-N 0 1 214.309 2.433 20 0 BEADMN Cc1cccc(N2CCC[C@@](C)(C(=O)[O-])C2)[nH+]1 ZINC000567592049 326224888 /nfs/dbraw/zinc/22/48/88/326224888.db2.gz LDAXHEWOYGKWOM-CYBMUJFWSA-N 0 1 234.299 2.081 20 0 BEADMN CC[C@]1(C)CN(CCc2ccncc2C)CCO1 ZINC000567730248 326252404 /nfs/dbraw/zinc/25/24/04/326252404.db2.gz ZWTYNIPGNBQEJJ-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN c1cc(CCN2CCOC[C@H]2C2CCC2)ccn1 ZINC000567812430 326261618 /nfs/dbraw/zinc/26/16/18/326261618.db2.gz YAXLTRUILSAJQL-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN COC(=O)[C@H](CC(C)C)N1[C@H](C)C[C@@H]1C ZINC000567930389 326284966 /nfs/dbraw/zinc/28/49/66/326284966.db2.gz FJSXZYGXQCJYTI-AXFHLTTASA-N 0 1 213.321 2.057 20 0 BEADMN CO[C@@]1(C)C[C@H](N(C)Cc2cnccn2)C1(C)C ZINC000568017214 326296497 /nfs/dbraw/zinc/29/64/97/326296497.db2.gz WVEGAEPLVAGBDA-JSGCOSHPSA-N 0 1 249.358 2.112 20 0 BEADMN C[N@@H+](CC1(C(=O)[O-])CC1)[C@@H]1CCc2ccccc21 ZINC000568060592 326302039 /nfs/dbraw/zinc/30/20/39/326302039.db2.gz HUCGPTZOKJGWPD-CYBMUJFWSA-N 0 1 245.322 2.471 20 0 BEADMN C[N@@H+](CC1(C(=O)[O-])CC1)[C@H]1CCc2ccccc21 ZINC000568060593 326302146 /nfs/dbraw/zinc/30/21/46/326302146.db2.gz HUCGPTZOKJGWPD-ZDUSSCGKSA-N 0 1 245.322 2.471 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC000568062633 326302202 /nfs/dbraw/zinc/30/22/02/326302202.db2.gz KFZJGKKUDYOZER-NSHDSACASA-N 0 1 239.340 2.087 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000568064303 326302691 /nfs/dbraw/zinc/30/26/91/326302691.db2.gz ADCPOQAXUZQMFJ-LLVKDONJSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000568074388 326304451 /nfs/dbraw/zinc/30/44/51/326304451.db2.gz GWZRPCMQTBJUFN-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@@]1(C)C(=O)[O-] ZINC000568075720 326304696 /nfs/dbraw/zinc/30/46/96/326304696.db2.gz ZHXMPBVTEDWIEC-NTZNESFSSA-N 0 1 223.316 2.138 20 0 BEADMN CCCC[C@@H](CC)CN1CCn2nncc2C1 ZINC000568182014 326322262 /nfs/dbraw/zinc/32/22/62/326322262.db2.gz GUXWPOKNNRCKGH-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CN(C)C1CN(C(=O)CCC2CCCCC2)C1 ZINC000158498881 326324902 /nfs/dbraw/zinc/32/49/02/326324902.db2.gz PLYNVMPVSDGPBR-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@H](NCC[N@H+](C)CC)c1ccccn1 ZINC000158825569 326343952 /nfs/dbraw/zinc/34/39/52/326343952.db2.gz PDUVRBHCTSRWSE-ZDUSSCGKSA-N 0 1 235.375 2.464 20 0 BEADMN Cc1nc(CSc2nc(C3CC3)n[nH]2)co1 ZINC000568468034 326357896 /nfs/dbraw/zinc/35/78/96/326357896.db2.gz USZWQWVOZUVXFO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1nc(CSc2n[nH]c(C3CC3)n2)co1 ZINC000568468034 326357897 /nfs/dbraw/zinc/35/78/97/326357897.db2.gz USZWQWVOZUVXFO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000568639070 326370157 /nfs/dbraw/zinc/37/01/57/326370157.db2.gz KKLCEKHFMYQDEB-IHRRRGAJSA-N 0 1 245.322 2.197 20 0 BEADMN C(NC1(C2CC2)CC1)c1nnc(C2CC2)s1 ZINC000568719680 326372590 /nfs/dbraw/zinc/37/25/90/326372590.db2.gz ZNEGTYXNOPFFDC-UHFFFAOYSA-N 0 1 235.356 2.448 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1CCCC12CC2 ZINC000568783216 326377020 /nfs/dbraw/zinc/37/70/20/326377020.db2.gz PSKJOINKZIRCQU-NSHDSACASA-N 0 1 248.374 2.455 20 0 BEADMN CSCC[N@@H+](C)CCC(C)(C)CC(=O)[O-] ZINC000569128984 326392089 /nfs/dbraw/zinc/39/20/89/326392089.db2.gz FWMMUYLNMGGGQR-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000159286921 326394593 /nfs/dbraw/zinc/39/45/93/326394593.db2.gz GMUMPFAJHCDQEV-VIFPVBQESA-N 0 1 231.299 2.433 20 0 BEADMN CSCC[C@H](C)N(C)Cc1cnccn1 ZINC000569195687 326394615 /nfs/dbraw/zinc/39/46/15/326394615.db2.gz XBBGOMGFOAPYNV-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN1CCn2nncc2C1 ZINC000569259274 326398380 /nfs/dbraw/zinc/39/83/80/326398380.db2.gz XVERSTOZSAOKTD-OCCSQVGLSA-N 0 1 246.358 2.086 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN1CCn2nncc2C1 ZINC000569259273 326398421 /nfs/dbraw/zinc/39/84/21/326398421.db2.gz XVERSTOZSAOKTD-JSGCOSHPSA-N 0 1 246.358 2.086 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000666149179 487984041 /nfs/dbraw/zinc/98/40/41/487984041.db2.gz FIOSWQAHWXKCQU-LPEHRKFASA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000668598826 487987570 /nfs/dbraw/zinc/98/75/70/487987570.db2.gz OGSJJQNFKABYEI-HTTKSJEASA-N 0 1 247.338 2.360 20 0 BEADMN CCN1CCN(C(=O)c2cccc(C)c2)C[C@H]1C ZINC000677176563 487990532 /nfs/dbraw/zinc/99/05/32/487990532.db2.gz GSNFQYPYDLFBSD-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN(C)Cc2cn(C)nn2)C1 ZINC000668604159 487997094 /nfs/dbraw/zinc/99/70/94/487997094.db2.gz QGFPUYGKSYELAQ-AAEUAGOBSA-N 0 1 248.374 2.239 20 0 BEADMN CC[C@H]1COCCN1CCOCc1ccccc1 ZINC000659932828 488007009 /nfs/dbraw/zinc/00/70/09/488007009.db2.gz OIIQDFUKKQEFAS-HNNXBMFYSA-N 0 1 249.354 2.314 20 0 BEADMN CCCN(CC(F)(F)F)C(=O)c1cnc(C)[nH]1 ZINC000677294053 488010128 /nfs/dbraw/zinc/01/01/28/488010128.db2.gz JYZYPKFXQJLZIP-UHFFFAOYSA-N 0 1 249.236 2.133 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000682673251 488010493 /nfs/dbraw/zinc/01/04/93/488010493.db2.gz MSIMYMRRVUSHML-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)C ZINC000165508538 488012186 /nfs/dbraw/zinc/01/21/86/488012186.db2.gz MGYDSSGYGGOYCL-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135034375 488012105 /nfs/dbraw/zinc/01/21/05/488012105.db2.gz DFWUOGAIXJLQLW-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503096 488019666 /nfs/dbraw/zinc/01/96/66/488019666.db2.gz SKDVLCCIFVZJDD-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN C[C@@H](N[C@@H](C)CC(C)(C)C)c1ncn(C)n1 ZINC000391875612 488024401 /nfs/dbraw/zinc/02/44/01/488024401.db2.gz MZOIBAOQLNCJDF-VHSXEESVSA-N 0 1 224.352 2.290 20 0 BEADMN c1cc(CN2C3CCC2CC3)n(CC2CC2)n1 ZINC000667493551 488025886 /nfs/dbraw/zinc/02/58/86/488025886.db2.gz WETIUFIWJODBSY-UHFFFAOYSA-N 0 1 231.343 2.420 20 0 BEADMN Cc1ccc(Cn2ccnc2CN)c(Cl)c1 ZINC000235881324 488028508 /nfs/dbraw/zinc/02/85/08/488028508.db2.gz IJNZWVCXSWCNFM-UHFFFAOYSA-N 0 1 235.718 2.352 20 0 BEADMN Cc1cc(CNCc2ccccc2C)ncn1 ZINC000677425560 488034522 /nfs/dbraw/zinc/03/45/22/488034522.db2.gz VWYCWQRVWGQUMD-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC[C@H](NCc1nc(C2CC2)no1)C1CC1 ZINC000661757187 488036341 /nfs/dbraw/zinc/03/63/41/488036341.db2.gz FSSBLCCDDQHTNF-JTQLQIEISA-N 0 1 221.304 2.225 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000682777629 488037161 /nfs/dbraw/zinc/03/71/61/488037161.db2.gz ODMDGRXJJCNFHI-VWYCJHECSA-N 0 1 237.347 2.498 20 0 BEADMN Cc1ccc(CN(C)Cc2ccn(C)c2)nc1 ZINC000682787721 488041720 /nfs/dbraw/zinc/04/17/20/488041720.db2.gz LJBOECKIIKZYHU-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN COCc1csc(CN(C)[C@@H]2CCOC2)c1 ZINC000667597358 488055601 /nfs/dbraw/zinc/05/56/01/488055601.db2.gz KPMXSPOIWPPOEE-LLVKDONJSA-N 0 1 241.356 2.115 20 0 BEADMN COc1cccc(CN[C@@H]2CO[C@H](C)C2)c1F ZINC000402184050 488072145 /nfs/dbraw/zinc/07/21/45/488072145.db2.gz BRFOLJKROPLSDT-KOLCDFICSA-N 0 1 239.290 2.101 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2cnn3c2CCC3)C1 ZINC000667650185 488072720 /nfs/dbraw/zinc/07/27/20/488072720.db2.gz OPHDYNFZFNISII-NEPJUHHUSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cnn2c1CCC2 ZINC000667650186 488073275 /nfs/dbraw/zinc/07/32/75/488073275.db2.gz OPHDYNFZFNISII-NWDGAFQWSA-N 0 1 233.359 2.450 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000257659232 488076445 /nfs/dbraw/zinc/07/64/45/488076445.db2.gz IJYJJOYZELJVGG-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN CC(C)N(C(=O)c1ccc(CN)o1)C1CCC1 ZINC000236699867 488081647 /nfs/dbraw/zinc/08/16/47/488081647.db2.gz XZYLHZHNEQPGCK-UHFFFAOYSA-N 0 1 236.315 2.141 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cc(F)ccc1O ZINC000677590685 488081575 /nfs/dbraw/zinc/08/15/75/488081575.db2.gz BHNWQVLZMUDNRJ-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN CO[C@@H]1CCCN(Cc2cccc(F)c2N)C1 ZINC000230316006 488084164 /nfs/dbraw/zinc/08/41/64/488084164.db2.gz QKUVFZPAUZVTHL-LLVKDONJSA-N 0 1 238.306 2.019 20 0 BEADMN CO[C@H]1CCCN(Cc2cccc(F)c2N)C1 ZINC000230316007 488084131 /nfs/dbraw/zinc/08/41/31/488084131.db2.gz QKUVFZPAUZVTHL-NSHDSACASA-N 0 1 238.306 2.019 20 0 BEADMN Cc1ccnc(CN2CCCO[C@H](C)C2)c1 ZINC000683006696 488087770 /nfs/dbraw/zinc/08/77/70/488087770.db2.gz QWCHJOZDABSCJF-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CCN1CCN(Cc2ncc(C3CC3)o2)C[C@H]1C ZINC000677698328 488093743 /nfs/dbraw/zinc/09/37/43/488093743.db2.gz JZUSNVFLDIGFMR-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN CCN1CCN(Cc2ncc(C3CC3)o2)C[C@@H]1C ZINC000677698329 488094378 /nfs/dbraw/zinc/09/43/78/488094378.db2.gz JZUSNVFLDIGFMR-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN COc1coc(CN2CCC3(CC3)CC2)cc1=O ZINC000677716965 488098838 /nfs/dbraw/zinc/09/88/38/488098838.db2.gz REICVHWPPXXHAR-UHFFFAOYSA-N 0 1 249.310 2.024 20 0 BEADMN C(c1nc2c(s1)CCC2)N1CC[C@@H]2C[C@@H]2C1 ZINC000668676839 488098546 /nfs/dbraw/zinc/09/85/46/488098546.db2.gz FJQYWZNAFNGQHU-NXEZZACHSA-N 0 1 234.368 2.474 20 0 BEADMN C[C@@H](CO)CN1CCc2cc(Cl)ccc2C1 ZINC000683028397 488099310 /nfs/dbraw/zinc/09/93/10/488099310.db2.gz QFBAHUSGCBYQKV-SNVBAGLBSA-N 0 1 239.746 2.327 20 0 BEADMN CC[C@@]1(NCc2nc3ccccc3o2)CCOC1 ZINC000683044158 488103318 /nfs/dbraw/zinc/10/33/18/488103318.db2.gz YJNJFLXROQUWLL-CQSZACIVSA-N 0 1 246.310 2.487 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C/C=C/c1ccccc1 ZINC000092925708 488103352 /nfs/dbraw/zinc/10/33/52/488103352.db2.gz MLIZLQFAJTXOOH-VMIDCOPPSA-N 0 1 245.322 2.495 20 0 BEADMN Cc1cc(CN(C(C)C)[C@H]2CCOC2)nc(C)n1 ZINC000660596032 488106613 /nfs/dbraw/zinc/10/66/13/488106613.db2.gz IWBULRIUVSMPFO-AWEZNQCLSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)F)C2)on1 ZINC000677733174 488110939 /nfs/dbraw/zinc/11/09/39/488110939.db2.gz PSFJKNCOUJQAAE-MRVPVSSYSA-N 0 1 216.231 2.070 20 0 BEADMN CCN(CCC(F)(F)F)Cc1[nH]ncc1C ZINC000685835687 488117936 /nfs/dbraw/zinc/11/79/36/488117936.db2.gz ADFJBIUWAKJFSI-UHFFFAOYSA-N 0 1 235.253 2.492 20 0 BEADMN CC(C)(CNCc1cocn1)[C@H]1CCCCO1 ZINC000683204175 488129727 /nfs/dbraw/zinc/12/97/27/488129727.db2.gz ZNYGVUWEAIEPCE-GFCCVEGCSA-N 0 1 238.331 2.360 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)c1cccn1C ZINC000037336584 488132643 /nfs/dbraw/zinc/13/26/43/488132643.db2.gz DYIABSSUMRRSJF-NSHDSACASA-N 0 1 222.332 2.328 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000148724279 488133649 /nfs/dbraw/zinc/13/36/49/488133649.db2.gz MLHGEJITKXDZQY-QWRGUYRKSA-N 0 1 215.337 2.464 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000674288333 487538186 /nfs/dbraw/zinc/53/81/86/487538186.db2.gz BTAKJLKARQGOSM-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C1CC1 ZINC000094529146 487539094 /nfs/dbraw/zinc/53/90/94/487539094.db2.gz GFFNRIFRFNPODW-JTQLQIEISA-N 0 1 233.311 2.469 20 0 BEADMN CCCCCN(C(=O)[C@H](C)N(C)C)C(C)C ZINC000674263466 487541093 /nfs/dbraw/zinc/54/10/93/487541093.db2.gz IZTHBRFNBGMRNV-LBPRGKRZSA-N 0 1 228.380 2.364 20 0 BEADMN Cc1nc(C)c(C[N@H+](C)[C@H](CO)CC(C)C)o1 ZINC000685573344 487542362 /nfs/dbraw/zinc/54/23/62/487542362.db2.gz JBIOQRPVTJFCRX-LBPRGKRZSA-N 0 1 240.347 2.130 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)Cc2ccccc21)N(C)C ZINC000674264489 487542676 /nfs/dbraw/zinc/54/26/76/487542676.db2.gz XBYFYOIYRUZWMM-RYUDHWBXSA-N 0 1 246.354 2.162 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000674266872 487543688 /nfs/dbraw/zinc/54/36/88/487543688.db2.gz ZGZNFLAKPZEMLU-QMMMGPOBSA-N 0 1 226.707 2.229 20 0 BEADMN CCC(CC)(CC)NC(=O)c1ccc(CN)o1 ZINC000094572643 487544069 /nfs/dbraw/zinc/54/40/69/487544069.db2.gz SMCMUCHCRFLDLQ-UHFFFAOYSA-N 0 1 238.331 2.437 20 0 BEADMN c1cn2c(n1)[C@@H](NCCOC1CCCC1)CCC2 ZINC000655702247 487544454 /nfs/dbraw/zinc/54/44/54/487544454.db2.gz QCUVOYRHRRRRFF-ZDUSSCGKSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1nc(C)c(CN2CCSC[C@@H]2C)o1 ZINC000685564934 487547242 /nfs/dbraw/zinc/54/72/42/487547242.db2.gz WZYDZBSWTRAQNK-QMMMGPOBSA-N 0 1 226.345 2.229 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@@H]1C(=O)[O-])C(C)(C)C ZINC000308833146 487547371 /nfs/dbraw/zinc/54/73/71/487547371.db2.gz UZACEJFWGGMEMP-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN CCO[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000685565326 487547443 /nfs/dbraw/zinc/54/74/43/487547443.db2.gz GDJLENPIBPIZCR-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000308832337 487547866 /nfs/dbraw/zinc/54/78/66/487547866.db2.gz USHYMLXCWGCMMI-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674287928 487548575 /nfs/dbraw/zinc/54/85/75/487548575.db2.gz SEHFZMALRZTMEI-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N(C)C ZINC000674289119 487549716 /nfs/dbraw/zinc/54/97/16/487549716.db2.gz VTNHSVXCUWFXDM-ZDEQEGDKSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](C(=O)Nc1cc(N(C)C)ccn1)C1CC1 ZINC000680254656 487553057 /nfs/dbraw/zinc/55/30/57/487553057.db2.gz AYOBRAMCYNKSDL-SECBINFHSA-N 0 1 233.315 2.132 20 0 BEADMN CN(C)c1ccnc(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000680257314 487553246 /nfs/dbraw/zinc/55/32/46/487553246.db2.gz QNEDRPPQYXFMDI-LLVKDONJSA-N 0 1 245.326 2.442 20 0 BEADMN CN(C)c1ccnc(NC(=O)CCC2CC2)c1 ZINC000680259430 487554097 /nfs/dbraw/zinc/55/40/97/487554097.db2.gz DBACBLMHPHKEEH-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000680257986 487554455 /nfs/dbraw/zinc/55/44/55/487554455.db2.gz JCYVUFSOGGHODX-RYUDHWBXSA-N 0 1 245.326 2.132 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2=CCCC2)c1 ZINC000680258069 487554861 /nfs/dbraw/zinc/55/48/61/487554861.db2.gz HFNITOIRXUZRGN-UHFFFAOYSA-N 0 1 231.299 2.196 20 0 BEADMN CCC(CC)CN(CC)C(=O)[C@H](C)N(C)C ZINC000674245537 487532171 /nfs/dbraw/zinc/53/21/71/487532171.db2.gz PIQYBNRPIIPYHX-NSHDSACASA-N 0 1 228.380 2.221 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1cscn1 ZINC000657561727 488134985 /nfs/dbraw/zinc/13/49/85/488134985.db2.gz SFEFAGMSZIMAPO-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN CNC(=O)CN(C)CCc1ccc(C(C)C)cc1 ZINC000668787380 487532572 /nfs/dbraw/zinc/53/25/72/487532572.db2.gz BZEAIHPNMAJLSA-UHFFFAOYSA-N 0 1 248.370 2.030 20 0 BEADMN Cc1ccnc(NCC2CCC(O)CC2)c1 ZINC000227703600 487471277 /nfs/dbraw/zinc/47/12/77/487471277.db2.gz SBNXDQYKMACDGY-UHFFFAOYSA-N 0 1 220.316 2.353 20 0 BEADMN CC[C@H](C)NC(=O)CN[C@H](C)c1ccsc1 ZINC000061363511 487473247 /nfs/dbraw/zinc/47/32/47/487473247.db2.gz NIMBRPJISYQGPX-VHSXEESVSA-N 0 1 240.372 2.313 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)NCc1cnc[nH]1 ZINC000673934850 487484008 /nfs/dbraw/zinc/48/40/08/487484008.db2.gz JGOIPAPTSOEOMH-MNOVXSKESA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000684995442 487486116 /nfs/dbraw/zinc/48/61/16/487486116.db2.gz DCNCLTRCAMLSTK-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000399588798 487489764 /nfs/dbraw/zinc/48/97/64/487489764.db2.gz UPSACJIFXRAXJW-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)[C@H]1CCCCN1C ZINC000673967814 487492586 /nfs/dbraw/zinc/49/25/86/487492586.db2.gz RQGJDRMTVOKTJC-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN OCCC1CN(Cc2cc3ccncc3s2)C1 ZINC000668231611 487497486 /nfs/dbraw/zinc/49/74/86/487497486.db2.gz FWCLOCCJARADJJ-UHFFFAOYSA-N 0 1 248.351 2.111 20 0 BEADMN C[C@H](N[C@H]1CCC[C@H](CO)C1)c1cscn1 ZINC000304608982 487512704 /nfs/dbraw/zinc/51/27/04/487512704.db2.gz NJUNCXDNLFWKJQ-DCAQKATOSA-N 0 1 240.372 2.345 20 0 BEADMN OC[C@@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000062998911 487506986 /nfs/dbraw/zinc/50/69/86/487506986.db2.gz YQASXYFQXFBCJV-OAHLLOKOSA-N 0 1 243.306 2.215 20 0 BEADMN CC[C@H](C)[C@H](CN[C@@H](C)c1ncc[nH]1)OC ZINC000295851898 487514920 /nfs/dbraw/zinc/51/49/20/487514920.db2.gz BBGSIDOMRHVDGP-DCAQKATOSA-N 0 1 225.336 2.121 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])C(C1CC1)C1CC1 ZINC000685411641 487517421 /nfs/dbraw/zinc/51/74/21/487517421.db2.gz NIVZELRKBXODAB-UHFFFAOYSA-N 0 1 232.327 2.408 20 0 BEADMN C[C@@H]1CC[C@@H](C)[NH+]1Cc1ncccc1[O-] ZINC000685420569 487519831 /nfs/dbraw/zinc/51/98/31/487519831.db2.gz MEUSOYRLODIJLT-NXEZZACHSA-N 0 1 206.289 2.160 20 0 BEADMN COCc1noc([C@@H](C)N[C@H](C)C2CCC2)n1 ZINC000680017235 487518707 /nfs/dbraw/zinc/51/87/07/487518707.db2.gz LNVCMPWJPYVQSU-RKDXNWHRSA-N 0 1 239.319 2.055 20 0 BEADMN COCc1noc([C@@H](C)N[C@@H](C)C2CCC2)n1 ZINC000680017233 487519037 /nfs/dbraw/zinc/51/90/37/487519037.db2.gz LNVCMPWJPYVQSU-DTWKUNHWSA-N 0 1 239.319 2.055 20 0 BEADMN c1coc(C2=CCCN(Cc3cn[nH]c3)C2)c1 ZINC000685436631 487522239 /nfs/dbraw/zinc/52/22/39/487522239.db2.gz HEIUFHFCJIZMTN-UHFFFAOYSA-N 0 1 229.283 2.292 20 0 BEADMN CCC[N@@H+](CCc1ccccn1)Cc1cn[nH]c1 ZINC000685454666 487526620 /nfs/dbraw/zinc/52/66/20/487526620.db2.gz QEMHZIYXPUBNDD-UHFFFAOYSA-N 0 1 244.342 2.259 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000379826179 488153811 /nfs/dbraw/zinc/15/38/11/488153811.db2.gz WMPSAXZIRFQKGF-ZJUUUORDSA-N 0 1 215.337 2.321 20 0 BEADMN Cc1nnc(CN[C@H]2CCC23CCC3)s1 ZINC000379916171 488156228 /nfs/dbraw/zinc/15/62/28/488156228.db2.gz CIKQCBZIIJLJSG-VIFPVBQESA-N 0 1 223.345 2.269 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2cscc2Cl)C1 ZINC000669574078 487559680 /nfs/dbraw/zinc/55/96/80/487559680.db2.gz QQUINLINVDSFDI-WAAGHKOSSA-N 0 1 231.748 2.405 20 0 BEADMN Cc1cn[nH]c1CN[C@H](C)c1c(C)noc1C ZINC000685616189 487566091 /nfs/dbraw/zinc/56/60/91/487566091.db2.gz ZIHVUNGUKJRYFG-MRVPVSSYSA-N 0 1 234.303 2.174 20 0 BEADMN C[C@@H](C(=O)N(CC1CC1)c1ccccc1)N(C)C ZINC000674599344 487597938 /nfs/dbraw/zinc/59/79/38/487597938.db2.gz ZOMINSMFQDEYBK-LBPRGKRZSA-N 0 1 246.354 2.380 20 0 BEADMN c1cncc([C@H](NCc2cncnc2)C2CC2)c1 ZINC000536162806 487605734 /nfs/dbraw/zinc/60/57/34/487605734.db2.gz IQZOIRYJJSVKOC-CQSZACIVSA-N 0 1 240.310 2.113 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)N(C)C ZINC000674285759 487774537 /nfs/dbraw/zinc/77/45/37/487774537.db2.gz RGEDAYLCYBNRGC-OLZOCXBDSA-N 0 1 248.370 2.465 20 0 BEADMN Cc1ncc(C(=O)N2CCCC(C)(C)CC2)[nH]1 ZINC000266577303 487894964 /nfs/dbraw/zinc/89/49/64/487894964.db2.gz WTIPIHBORNENBQ-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN [O-]c1cccc2c(NCC3(O)CCC3)cc[nH+]c12 ZINC000682239965 487933659 /nfs/dbraw/zinc/93/36/59/487933659.db2.gz OSPAVYNWSSWXKP-UHFFFAOYSA-N 0 1 244.294 2.267 20 0 BEADMN CN1Cc2ccccc2[C@H](Nc2cccnn2)C1 ZINC000677420244 488031718 /nfs/dbraw/zinc/03/17/18/488031718.db2.gz BWCWJJUZABNGHK-CYBMUJFWSA-N 0 1 240.310 2.075 20 0 BEADMN CN(C)c1ccnc(NC(=O)CC(C)(F)F)c1 ZINC000683252164 488138887 /nfs/dbraw/zinc/13/88/87/488138887.db2.gz GGNQYNXLFJYUQQ-UHFFFAOYSA-N 0 1 243.257 2.131 20 0 BEADMN CN[C@H](C)c1cn(-c2ccccc2Cl)nn1 ZINC000258846596 488139321 /nfs/dbraw/zinc/13/93/21/488139321.db2.gz SGVVTDAEHUHBAE-MRVPVSSYSA-N 0 1 236.706 2.201 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H](C)C(=O)[O-])C(C)(C)C ZINC000379491007 488140622 /nfs/dbraw/zinc/14/06/22/488140622.db2.gz QGHYNUIBKZQHBG-DTWKUNHWSA-N 0 1 201.310 2.074 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])C(C)(C)C ZINC000379491008 488140844 /nfs/dbraw/zinc/14/08/44/488140844.db2.gz QGHYNUIBKZQHBG-IUCAKERBSA-N 0 1 201.310 2.074 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nccn2C(F)F)CS1 ZINC000397721406 488142222 /nfs/dbraw/zinc/14/22/22/488142222.db2.gz KJHCKQORWSDFSN-HTQZYQBOSA-N 0 1 247.314 2.262 20 0 BEADMN C[C@H]1C[C@@H](NCc2nccn2C(F)F)CS1 ZINC000397721407 488142231 /nfs/dbraw/zinc/14/22/31/488142231.db2.gz KJHCKQORWSDFSN-JGVFFNPUSA-N 0 1 247.314 2.262 20 0 BEADMN Cc1cnc(CN[C@@H]2CO[C@@H](C3CC3)C2)s1 ZINC000667869815 488142610 /nfs/dbraw/zinc/14/26/10/488142610.db2.gz HVLBGQYIOQDHMV-WDEREUQCSA-N 0 1 238.356 2.109 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000160608343 488148380 /nfs/dbraw/zinc/14/83/80/488148380.db2.gz DYVQPDGVXHWYRG-NSHDSACASA-N 0 1 243.347 2.129 20 0 BEADMN CCC[C@@H](C(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000677890088 488149479 /nfs/dbraw/zinc/14/94/79/488149479.db2.gz CJBUYYMJJQAYLL-GFCCVEGCSA-N 0 1 237.347 2.407 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CC2)[C@H](C)C1 ZINC000668710954 488152845 /nfs/dbraw/zinc/15/28/45/488152845.db2.gz NNDGCXPOWURVDU-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000390447945 488157668 /nfs/dbraw/zinc/15/76/68/488157668.db2.gz UGOQTFGKHTYYAM-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN FC(F)Cn1cc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000339590340 488159941 /nfs/dbraw/zinc/15/99/41/488159941.db2.gz OXYKPEFERWRDEF-ZJUUUORDSA-N 0 1 247.264 2.128 20 0 BEADMN CC(C)(C)OCCCN1CCOC2(CCC2)C1 ZINC000677991623 488170400 /nfs/dbraw/zinc/17/04/00/488170400.db2.gz UORCMIYZBUHZHZ-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667972331 488172858 /nfs/dbraw/zinc/17/28/58/488172858.db2.gz MPBYVRQKWYSGMK-SNVBAGLBSA-N 0 1 249.358 2.019 20 0 BEADMN c1c(CN2CC[C@H]3CCC[C@H]32)nnn1C1CCC1 ZINC000668013147 488186181 /nfs/dbraw/zinc/18/61/81/488186181.db2.gz QWYVRWBTKURGJB-BXUZGUMPSA-N 0 1 246.358 2.378 20 0 BEADMN Cc1cc(NCC2(C(=O)[O-])CCCC2)nc(C)[nH+]1 ZINC000137841594 488195715 /nfs/dbraw/zinc/19/57/15/488195715.db2.gz CFWYWTJTHHHIHV-UHFFFAOYSA-N 0 1 249.314 2.150 20 0 BEADMN CCN(CC)Cc1cn2cccc(F)c2n1 ZINC000678120432 488199319 /nfs/dbraw/zinc/19/93/19/488199319.db2.gz SOSKKEGTQBKDMP-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H](C)c2ncc[nH]2)C12CCC2 ZINC000308349453 488201673 /nfs/dbraw/zinc/20/16/73/488201673.db2.gz BWEJVORHBPLHJH-OUAUKWLOSA-N 0 1 235.331 2.018 20 0 BEADMN CCN(C)Cc1nn(C)c2ccccc12 ZINC000678134313 488203173 /nfs/dbraw/zinc/20/31/73/488203173.db2.gz XCYIUGVPOHTYEH-UHFFFAOYSA-N 0 1 203.289 2.025 20 0 BEADMN CCC1CN(Cc2cnn(CC(F)(F)F)c2)C1 ZINC000453611185 488203457 /nfs/dbraw/zinc/20/34/57/488203457.db2.gz ZSMZPOWWKVCEBM-UHFFFAOYSA-N 0 1 247.264 2.287 20 0 BEADMN Cc1ncc(CN2CC3(C2)CCCC3)n1C ZINC000668173811 488214044 /nfs/dbraw/zinc/21/40/44/488214044.db2.gz UCNPVGUVIFHHDC-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN c1nc2n(c1CN1CC3(C1)CCCC3)CCC2 ZINC000668173486 488214220 /nfs/dbraw/zinc/21/42/20/488214220.db2.gz JAVKOEFMZBSXNG-UHFFFAOYSA-N 0 1 231.343 2.205 20 0 BEADMN CCNC(=O)CN(C)C[C@@H](CC)c1ccccc1 ZINC000678193021 488215884 /nfs/dbraw/zinc/21/58/84/488215884.db2.gz RKMILHMHRNHJCS-CYBMUJFWSA-N 0 1 248.370 2.248 20 0 BEADMN c1cc(CN2CC(C3CC3)C2)n(CC2CC2)n1 ZINC000668182725 488216295 /nfs/dbraw/zinc/21/62/95/488216295.db2.gz MCHMZXOZQMVWFT-UHFFFAOYSA-N 0 1 231.343 2.135 20 0 BEADMN CC1(C)COCCN1Cc1[nH]nc2ccccc21 ZINC000678210825 488216533 /nfs/dbraw/zinc/21/65/33/488216533.db2.gz YFIGQRWUMIWZCL-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1nccs1 ZINC000179431118 488221933 /nfs/dbraw/zinc/22/19/33/488221933.db2.gz BXYKMEAALONYQA-JLIMGVALSA-N 0 1 224.329 2.114 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC1CCC1 ZINC000398707622 488222831 /nfs/dbraw/zinc/22/28/31/488222831.db2.gz CGDAVGOJMNMLMT-AVGNSLFASA-N 0 1 237.343 2.362 20 0 BEADMN c1cn([C@H]2CCCN(Cc3cncs3)C2)cn1 ZINC000678235527 488222886 /nfs/dbraw/zinc/22/28/86/488222886.db2.gz VOBPHBKLQKATCU-NSHDSACASA-N 0 1 248.355 2.177 20 0 BEADMN CC[C@H](C)[N@@H+](CCC1CCC1)CC(=O)[O-] ZINC000398797038 488224617 /nfs/dbraw/zinc/22/46/17/488224617.db2.gz RXNUSHLDEPWYKD-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nnc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[nH]1 ZINC000668210481 488226065 /nfs/dbraw/zinc/22/60/65/488226065.db2.gz CGVCITZWYGZPHH-NXEZZACHSA-N 0 1 248.330 2.268 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[nH]1 ZINC000668210482 488226224 /nfs/dbraw/zinc/22/62/24/488226224.db2.gz CGVCITZWYGZPHH-URLYPYJESA-N 0 1 248.330 2.268 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)CC2(C)CC2)c1 ZINC000683828981 488228101 /nfs/dbraw/zinc/22/81/01/488228101.db2.gz ZYPMJSFNRMVCLT-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN CCc1ccc(CN2CCN(CC)[C@H](C)C2)o1 ZINC000678261520 488228608 /nfs/dbraw/zinc/22/86/08/488228608.db2.gz MEQLDGFWYINRBL-GFCCVEGCSA-N 0 1 236.359 2.368 20 0 BEADMN COCc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000678266040 488230286 /nfs/dbraw/zinc/23/02/86/488230286.db2.gz JZFSYGYEAOIZLK-UHFFFAOYSA-N 0 1 245.326 2.188 20 0 BEADMN C[C@H]1OCCN(Cc2[nH]nc3ccccc32)[C@@H]1C ZINC000678267365 488231003 /nfs/dbraw/zinc/23/10/03/488231003.db2.gz PQBAHEAGJSFAIH-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@]1(O)CCN(Cc2cscc2Cl)C1 ZINC000678295257 488237919 /nfs/dbraw/zinc/23/79/19/488237919.db2.gz PJMHFEZXKVVOAU-SNVBAGLBSA-N 0 1 231.748 2.358 20 0 BEADMN Cn1cccc1[C@@H]1CCCCN1Cc1cn[nH]c1 ZINC000678295192 488237949 /nfs/dbraw/zinc/23/79/49/488237949.db2.gz MKZBAPVLGBKSNN-AWEZNQCLSA-N 0 1 244.342 2.475 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)c3cnco3)ccc12 ZINC000678328947 488240355 /nfs/dbraw/zinc/24/03/55/488240355.db2.gz CPABZHFLSSYTJN-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COC1CC(Sc2nc(C(C)(C)C)n[nH]2)C1 ZINC000683901980 488241863 /nfs/dbraw/zinc/24/18/63/488241863.db2.gz QCEOMXQPGUKLDS-UHFFFAOYSA-N 0 1 241.360 2.372 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1C[C@@H]1C ZINC000678346508 488243986 /nfs/dbraw/zinc/24/39/86/488243986.db2.gz KRIAWWKRKRHASG-NJGYIYPDSA-N 0 1 229.230 2.250 20 0 BEADMN Cc1nn(C)cc1CN[C@H](C)c1cnccc1C ZINC000678361771 488246446 /nfs/dbraw/zinc/24/64/46/488246446.db2.gz JXIHLSRVGOEAAN-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CCn1nccc1CN[C@@H](C)c1cnccc1C ZINC000678362098 488246633 /nfs/dbraw/zinc/24/66/33/488246633.db2.gz REMSLPIQRJYPNH-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1ccc([C@H](C)NCc2ccnn2C)c(C)n1 ZINC000678412381 488252682 /nfs/dbraw/zinc/25/26/82/488252682.db2.gz VPUPKMNSYDDRGF-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H](CCO)C2)o1 ZINC000678463531 488257935 /nfs/dbraw/zinc/25/79/35/488257935.db2.gz VRLGOGIWQJFEQJ-RYUDHWBXSA-N 0 1 238.331 2.138 20 0 BEADMN C[C@H]1CCN(CCOC2CCC2)C[C@H]1F ZINC000672553006 488259468 /nfs/dbraw/zinc/25/94/68/488259468.db2.gz QHPCKLRLGIFGSD-CMPLNLGQSA-N 0 1 215.312 2.235 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](CCO)C2)s1 ZINC000678516141 488263707 /nfs/dbraw/zinc/26/37/07/488263707.db2.gz DZHDNCIKHXOYPO-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN CC1(C)CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000684087245 488264926 /nfs/dbraw/zinc/26/49/26/488264926.db2.gz WQWQSVASPOZWIZ-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN Cn1nccc1CN1CC(Cc2ccccc2)C1 ZINC000678631261 488274782 /nfs/dbraw/zinc/27/47/82/488274782.db2.gz QIZRGLNRGRHSOV-UHFFFAOYSA-N 0 1 241.338 2.095 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000043585348 488289841 /nfs/dbraw/zinc/28/98/41/488289841.db2.gz WNZRTRWLJJXXET-GFCCVEGCSA-N 0 1 248.326 2.158 20 0 BEADMN C[C@@H](C(=O)NCC1(C)CCCCCC1)N(C)C ZINC000678993838 488301071 /nfs/dbraw/zinc/30/10/71/488301071.db2.gz NCYADSQKDQZWDT-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN COc1c(O)cccc1CN1CC(C(C)C)C1 ZINC000684407707 488307322 /nfs/dbraw/zinc/30/73/22/488307322.db2.gz CAKQAUXHCOJKNH-UHFFFAOYSA-N 0 1 235.327 2.489 20 0 BEADMN COc1ccc(CN2CC(C(C)C)C2)cc1O ZINC000684409529 488308583 /nfs/dbraw/zinc/30/85/83/488308583.db2.gz XJHQZBVSXYBCHG-UHFFFAOYSA-N 0 1 235.327 2.489 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cn[nH]c1 ZINC000684412730 488308793 /nfs/dbraw/zinc/30/87/93/488308793.db2.gz ZVNHKSHWJDWIDM-CBAPKCEASA-N 0 1 233.237 2.182 20 0 BEADMN CCC(=O)N1CCC(NC(C)(C)C(F)F)CC1 ZINC000684414498 488309731 /nfs/dbraw/zinc/30/97/31/488309731.db2.gz KHSQLAOROMRTDU-UHFFFAOYSA-N 0 1 248.317 2.021 20 0 BEADMN C[C@@H](CCO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000684573903 488328156 /nfs/dbraw/zinc/32/81/56/488328156.db2.gz HXJDEBRHTDWZMW-VIFPVBQESA-N 0 1 232.283 2.123 20 0 BEADMN Cc1cc(CNC(=O)c2ccoc2C(C)C)n[nH]1 ZINC000684575942 488328870 /nfs/dbraw/zinc/32/88/70/488328870.db2.gz MECXTLWRMMTSFB-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN [O-]c1cccc2c(NCCCCO)cc[nH+]c12 ZINC000684589727 488329157 /nfs/dbraw/zinc/32/91/57/488329157.db2.gz JAOBGVAORRNXQY-UHFFFAOYSA-N 0 1 232.283 2.125 20 0 BEADMN CCOCCN(C)c1cc[nH+]c2c([O-])cccc12 ZINC000684580876 488329270 /nfs/dbraw/zinc/32/92/70/488329270.db2.gz MMHZQGMBYMLTCG-UHFFFAOYSA-N 0 1 246.310 2.413 20 0 BEADMN Cc1ccc(CN(Cc2cnc[nH]2)C2CC2)o1 ZINC000684617100 488332668 /nfs/dbraw/zinc/33/26/68/488332668.db2.gz NEIKOBVEHJBQEC-UHFFFAOYSA-N 0 1 231.299 2.476 20 0 BEADMN CC(C)CC[C@H](O)CN1CC[C@H](C)[C@H](F)C1 ZINC000684619635 488334222 /nfs/dbraw/zinc/33/42/22/488334222.db2.gz HTEWRPOCAKVNAK-RWMBFGLXSA-N 0 1 231.355 2.463 20 0 BEADMN CCCc1cc(C(=O)N2CC(C)=C[C@H](C)C2)n[nH]1 ZINC000684708988 488339171 /nfs/dbraw/zinc/33/91/71/488339171.db2.gz GSTQVTNYINIKGQ-JTQLQIEISA-N 0 1 247.342 2.400 20 0 BEADMN CC(C)(C)c1n[nH]cc1CN1CC=CCC1 ZINC000679357359 488344384 /nfs/dbraw/zinc/34/43/84/488344384.db2.gz JFMRMJLESNOBSQ-UHFFFAOYSA-N 0 1 219.332 2.469 20 0 BEADMN CCc1nn(C)c(CC)c1CN1CC=CCC1 ZINC000679357474 488344412 /nfs/dbraw/zinc/34/44/12/488344412.db2.gz SVQNCGGNHQOFNM-UHFFFAOYSA-N 0 1 233.359 2.307 20 0 BEADMN c1cc2c(c(CN3CC=CCC3)c1)OCO2 ZINC000679357357 488344686 /nfs/dbraw/zinc/34/46/86/488344686.db2.gz JCJSYSYZCILCDZ-UHFFFAOYSA-N 0 1 217.268 2.177 20 0 BEADMN Cn1cccc1CN1CCC[C@H](OC(F)F)C1 ZINC000679741618 488365526 /nfs/dbraw/zinc/36/55/26/488365526.db2.gz YMZZPXSQVMLPCH-NSHDSACASA-N 0 1 244.285 2.229 20 0 BEADMN CC(C)=CCN1CCc2c(cccc2C(N)=O)C1 ZINC000662299154 490049029 /nfs/dbraw/zinc/04/90/29/490049029.db2.gz UGLXCNNGGAOIHE-UHFFFAOYSA-N 0 1 244.338 2.110 20 0 BEADMN C[C@H]1SCC[C@H]1NCc1nccs1 ZINC000220609394 490054641 /nfs/dbraw/zinc/05/46/41/490054641.db2.gz FEQZBMUVXUWHBZ-HTQZYQBOSA-N 0 1 214.359 2.127 20 0 BEADMN CCC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000078713172 490057945 /nfs/dbraw/zinc/05/79/45/490057945.db2.gz RBJSQTSSCKVHFN-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCOCCOc1ccnc2c1CCCC2 ZINC000655702076 490090035 /nfs/dbraw/zinc/09/00/35/490090035.db2.gz PPMIXRNFCBLGAP-UHFFFAOYSA-N 0 1 221.300 2.376 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)CCc1cnc[nH]1 ZINC000457293241 490117246 /nfs/dbraw/zinc/11/72/46/490117246.db2.gz PVNMDLRMNYAHJL-RISCZKNCSA-N 0 1 249.358 2.427 20 0 BEADMN c1c2cccnc2oc1CN1CCCOCC1 ZINC000336215886 490117506 /nfs/dbraw/zinc/11/75/06/490117506.db2.gz WLXYLWFRLUJSDA-UHFFFAOYSA-N 0 1 232.283 2.050 20 0 BEADMN Cc1ccnc(NC[C@@]2(C)CCOC2)c1 ZINC000309193250 490148079 /nfs/dbraw/zinc/14/80/79/490148079.db2.gz QATTYVVOODFIHM-GFCCVEGCSA-N 0 1 206.289 2.229 20 0 BEADMN O=C1Nc2ccccc2CC[C@H]1N1CC=CCC1 ZINC000683022339 490154919 /nfs/dbraw/zinc/15/49/19/490154919.db2.gz TXNFQAGAURYBFK-CQSZACIVSA-N 0 1 242.322 2.202 20 0 BEADMN Cc1cc(N2N=C3CCCCC[C@@H]3C2=O)ncn1 ZINC000109522631 490163034 /nfs/dbraw/zinc/16/30/34/490163034.db2.gz OXHWMHDJDHNPOB-JTQLQIEISA-N 0 1 244.298 2.068 20 0 BEADMN Cc1ccc([C@H](C)N(C)C(=O)[C@H](C)N(C)C)cc1 ZINC000078665901 490213544 /nfs/dbraw/zinc/21/35/44/490213544.db2.gz BVGABNIRJILUEJ-STQMWFEESA-N 0 1 248.370 2.465 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(C)C)cc1 ZINC000078665710 490213627 /nfs/dbraw/zinc/21/36/27/490213627.db2.gz SKBLLXAZLOANNZ-NEPJUHHUSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H](C(=O)N1C[C@H](C)c2ccccc21)N(C)C ZINC000078686978 490216908 /nfs/dbraw/zinc/21/69/08/490216908.db2.gz ALNXRRXCEYIJRI-QWRGUYRKSA-N 0 1 232.327 2.087 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2c1ccn2C)N(C)C ZINC000078709356 490220256 /nfs/dbraw/zinc/22/02/56/490220256.db2.gz CKKMDIPWCSYFAR-JTQLQIEISA-N 0 1 245.326 2.067 20 0 BEADMN C[C@@H](C(=O)NCCCCC(C)(C)C)N(C)C ZINC000078733389 490222907 /nfs/dbraw/zinc/22/29/07/490222907.db2.gz HWXNZPWKXVERIK-NSHDSACASA-N 0 1 228.380 2.269 20 0 BEADMN C[C@@H](C(=O)NCC[C@H]1CCC[C@@H](C)C1)N(C)C ZINC000078744460 490225228 /nfs/dbraw/zinc/22/52/28/490225228.db2.gz IYDDSFQZIFHSOK-FRRDWIJNSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)N(C)C ZINC000078755278 490228249 /nfs/dbraw/zinc/22/82/49/490228249.db2.gz VXECUHNNQDMIGJ-MBNYWOFBSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H](C(=O)N1C[C@H](C)[C@H]1c1ccccc1)N(C)C ZINC000078755274 490228974 /nfs/dbraw/zinc/22/89/74/490228974.db2.gz VXECUHNNQDMIGJ-OBJOEFQTSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N(C)C)[C@@H](C)c1ccccc1 ZINC000078759674 490234039 /nfs/dbraw/zinc/23/40/39/490234039.db2.gz WRXMFZQLTGEYRO-UPJWGTAASA-N 0 1 248.370 2.245 20 0 BEADMN O=C(Nc1ccccc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000666596907 490249068 /nfs/dbraw/zinc/24/90/68/490249068.db2.gz QQCROHGQLLOZBR-BETUJISGSA-N 0 1 245.326 2.045 20 0 BEADMN CN(Cc1nccn1C)CC1CCCCC1 ZINC000071115507 490254999 /nfs/dbraw/zinc/25/49/99/490254999.db2.gz HQKLEBHTSVTNFA-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN Cc1nc2cc(N[C@@H]3CO[C@@H](C)C3)ccc2n1C ZINC000647195581 490343630 /nfs/dbraw/zinc/34/36/30/490343630.db2.gz WXTMOGRBVUOWSF-CABZTGNLSA-N 0 1 245.326 2.471 20 0 BEADMN C[C@@H]1CN(c2ncnc3[nH]cnc32)CC(C)(C)C1 ZINC000680066396 490378310 /nfs/dbraw/zinc/37/83/10/490378310.db2.gz LZEQFAGUBKFWRV-VIFPVBQESA-N 0 1 245.330 2.225 20 0 BEADMN CCn1nccc1CN[C@@H](C)c1ccncc1 ZINC000125085812 490413606 /nfs/dbraw/zinc/41/36/06/490413606.db2.gz LJNXZZSBGAIIDU-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C1CCC1 ZINC000130637294 490434112 /nfs/dbraw/zinc/43/41/12/490434112.db2.gz ANQDXKIYUCPSSC-VIFPVBQESA-N 0 1 243.310 2.481 20 0 BEADMN O=C(NC1CC=CC1)c1cc(F)cc2nc[nH]c21 ZINC000125957759 490475545 /nfs/dbraw/zinc/47/55/45/490475545.db2.gz WRVSHAMPJANYGY-UHFFFAOYSA-N 0 1 245.257 2.150 20 0 BEADMN C[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000074726840 490501393 /nfs/dbraw/zinc/50/13/93/490501393.db2.gz YXITWTXHZLRSQB-NSHDSACASA-N 0 1 243.310 2.220 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC000131455334 490639881 /nfs/dbraw/zinc/63/98/81/490639881.db2.gz UUVAHDGJBPODNE-WDEREUQCSA-N 0 1 249.358 2.480 20 0 BEADMN CN(CCCOc1ccccc1)Cc1cn[nH]c1 ZINC000085825201 491053374 /nfs/dbraw/zinc/05/33/74/491053374.db2.gz MLJOBAXAQPBJGP-UHFFFAOYSA-N 0 1 245.326 2.311 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CO)C(C)C)c(C)s1 ZINC000086121044 491057989 /nfs/dbraw/zinc/05/79/89/491057989.db2.gz JHCMRRONJRGDAY-GZMMTYOYSA-N 0 1 242.388 2.427 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668898778 491060011 /nfs/dbraw/zinc/06/00/11/491060011.db2.gz BFRGNOQRYRBBBV-SNVBAGLBSA-N 0 1 249.358 2.162 20 0 BEADMN COc1nc(C)cc(C)c1CNCc1cc[nH]c1 ZINC000086252644 491060169 /nfs/dbraw/zinc/06/01/69/491060169.db2.gz ITJYAQCZUICGAU-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN C[C@@H](CCc1ccco1)NCc1ccon1 ZINC000088052670 491094077 /nfs/dbraw/zinc/09/40/77/491094077.db2.gz MLTNQSILUPFDHY-JTQLQIEISA-N 0 1 220.272 2.379 20 0 BEADMN CCN(Cc1nccnc1OC)CC(C)(C)C ZINC000295991420 491115844 /nfs/dbraw/zinc/11/58/44/491115844.db2.gz KERCPGGAPMWFAX-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc12 ZINC000091824857 491131655 /nfs/dbraw/zinc/13/16/55/491131655.db2.gz VAUUBTFRLUXVOH-WRWORJQWSA-N 0 1 229.283 2.466 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1nccs1 ZINC000082269462 491141620 /nfs/dbraw/zinc/14/16/20/491141620.db2.gz RBEVQSGVDCHEFK-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CCc1ccc(CN[C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000133336959 491151201 /nfs/dbraw/zinc/15/12/01/491151201.db2.gz UUNCDZINFDUTSG-ZDUSSCGKSA-N 0 1 248.370 2.416 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000309784829 491156444 /nfs/dbraw/zinc/15/64/44/491156444.db2.gz SGJPUKOHBYMERM-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000309973869 491159133 /nfs/dbraw/zinc/15/91/33/491159133.db2.gz RFGBNGHTJOYFMH-BDAKNGLRSA-N 0 1 240.372 2.145 20 0 BEADMN CC(C)OCCON=c1ccnc(C(C)C)[nH]1 ZINC000812488691 582544936 /nfs/dbraw/zinc/54/49/36/582544936.db2.gz JTVCIFKKLRFNBS-UHFFFAOYSA-N 0 1 239.319 2.369 20 0 BEADMN CCCONC(=O)[C@H](CC)c1c(C)noc1C ZINC000844084514 582569215 /nfs/dbraw/zinc/56/92/15/582569215.db2.gz UFAXPJLPTGZBSY-SNVBAGLBSA-N 0 1 240.303 2.243 20 0 BEADMN CCC[C@H](C)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263081646 535611887 /nfs/dbraw/zinc/61/18/87/535611887.db2.gz RPEDCTVUXMXIAF-SRVKXCTJSA-N 0 1 227.348 2.465 20 0 BEADMN CCOCCN[C@H](C)c1nc(C)cs1 ZINC000070634626 535627865 /nfs/dbraw/zinc/62/78/65/535627865.db2.gz GGUXDRRRKSMVGU-SECBINFHSA-N 0 1 214.334 2.139 20 0 BEADMN CCN(C)C(=O)CN(CC)Cc1ccccc1C ZINC000349125680 535714177 /nfs/dbraw/zinc/71/41/77/535714177.db2.gz PJKVGZCTPHNLNL-UHFFFAOYSA-N 0 1 248.370 2.295 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1nccn1C1CC1 ZINC000891644308 582705006 /nfs/dbraw/zinc/70/50/06/582705006.db2.gz VCYYAGGDZAGCAY-JTQLQIEISA-N 0 1 219.332 2.448 20 0 BEADMN C[C@H]1CN(Cc2nccn2C2CC2)C[C@@H]1C ZINC000892068778 582784136 /nfs/dbraw/zinc/78/41/36/582784136.db2.gz SFXSBARPQCLNOK-QWRGUYRKSA-N 0 1 219.332 2.306 20 0 BEADMN Cc1nc(CSc2ncc3ccccn32)n[nH]1 ZINC000488216884 534403995 /nfs/dbraw/zinc/40/39/95/534403995.db2.gz NDEGMEFZBQBCIR-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN Fc1ccc(CNC/C=C/c2ccncc2)nc1 ZINC000487311485 534464938 /nfs/dbraw/zinc/46/49/38/534464938.db2.gz SXQORHQDMGHSHC-OWOJBTEDSA-N 0 1 243.285 2.419 20 0 BEADMN CC(C)(C)CNC(=O)c1cccc2nc[nH]c21 ZINC000335700598 534610626 /nfs/dbraw/zinc/61/06/26/534610626.db2.gz JUXYUGWAUFQWFY-UHFFFAOYSA-N 0 1 231.299 2.339 20 0 BEADMN CC(C)c1nccc(N2CCN(C)[C@@H](C)[C@H]2C)n1 ZINC000356793032 534907536 /nfs/dbraw/zinc/90/75/36/534907536.db2.gz LYLLKZLJQQDXPH-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1nccc(N2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000356793033 534908270 /nfs/dbraw/zinc/90/82/70/534908270.db2.gz LYLLKZLJQQDXPH-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN CC=C(C=CC(=O)NCc1cn[nH]c1C)CC ZINC000492663319 527552758 /nfs/dbraw/zinc/55/27/58/527552758.db2.gz OLQQTKPTHITQFN-HNGDNPSASA-N 0 1 233.315 2.247 20 0 BEADMN C/C=C/C=C/C(=O)N1CCN(CC)C[C@@H]1CC ZINC000493463024 527576293 /nfs/dbraw/zinc/57/62/93/527576293.db2.gz VLODSBYYWXIMKE-WKOLDJRISA-N 0 1 236.359 2.061 20 0 BEADMN C/C=C/C=C/C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000493001250 527578952 /nfs/dbraw/zinc/57/89/52/527578952.db2.gz BCWKBWGCQGYPEI-MWBBVWBASA-N 0 1 236.359 2.060 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1C[C@H]1C[C@H]1C ZINC000488328909 527821415 /nfs/dbraw/zinc/82/14/15/527821415.db2.gz IHGKOUOWBSDGRL-UTUOFQBUSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)C[C@@H]1CCSC1 ZINC000494976248 527858476 /nfs/dbraw/zinc/85/84/76/527858476.db2.gz PVTODJDVYNYZFA-QWRGUYRKSA-N 0 1 245.388 2.011 20 0 BEADMN CC(C)CN(C)CN1CC2(CCCC2)OC1=O ZINC000494556998 527915289 /nfs/dbraw/zinc/91/52/89/527915289.db2.gz ZWHXJBLDMIICFO-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N(C)Cc1cnc[nH]1 ZINC000496374535 528269228 /nfs/dbraw/zinc/26/92/28/528269228.db2.gz LLNYJJWDBDUXPG-SNVBAGLBSA-N 0 1 239.319 2.413 20 0 BEADMN CC/C=C\CCN1CCN(CC)C(=O)[C@@H]1CC ZINC000495206931 528789618 /nfs/dbraw/zinc/78/96/18/528789618.db2.gz ALOLUJUXFYMMQF-WSROAFLRSA-N 0 1 238.375 2.285 20 0 BEADMN CCOC(=O)CN(C[C@H]1CCSC1)C(C)C ZINC000495167672 528801588 /nfs/dbraw/zinc/80/15/88/528801588.db2.gz NITRHAIIYZILER-LLVKDONJSA-N 0 1 245.388 2.013 20 0 BEADMN CC(C)N(CN1CC(C)(C)OC1=O)C1CC1 ZINC000494058872 528916431 /nfs/dbraw/zinc/91/64/31/528916431.db2.gz MTXAIFWERVUGEH-UHFFFAOYSA-N 0 1 226.320 2.048 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000495112684 529206024 /nfs/dbraw/zinc/20/60/24/529206024.db2.gz SFMWAUCLGBRYPY-LOWVWBTDSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1ncnn1CC ZINC000488164752 529343663 /nfs/dbraw/zinc/34/36/63/529343663.db2.gz KQWVKTQMECJVBT-WDEREUQCSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H](C)Nc1cc(C(C)C)nc(N(C)C)n1 ZINC000486440905 529357369 /nfs/dbraw/zinc/35/73/69/529357369.db2.gz XGCUCRPCQDZGJG-SNVBAGLBSA-N 0 1 236.363 2.298 20 0 BEADMN CC1(C)C[S@@](=O)CCN1CCC1CCCC1 ZINC000336061847 534940924 /nfs/dbraw/zinc/94/09/24/534940924.db2.gz OEKKHAOTBHLNJB-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN CC1(C)C[S@](=O)CCN1CC1CCCCC1 ZINC000335938114 534942397 /nfs/dbraw/zinc/94/23/97/534942397.db2.gz SLVSUGOEADNDRI-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)(CCO)NCc1ncc(Cl)s1 ZINC000225358063 535051652 /nfs/dbraw/zinc/05/16/52/535051652.db2.gz WRFADFXPPPEMPT-UHFFFAOYSA-N 0 1 234.752 2.047 20 0 BEADMN CC(C)CN(Cc1cn(C(C)C)nn1)C1CC1 ZINC000347649996 535060575 /nfs/dbraw/zinc/06/05/75/535060575.db2.gz NHFHGGDUQZLTKJ-UHFFFAOYSA-N 0 1 236.363 2.479 20 0 BEADMN CC1(C2CC2)CCN(C(=O)c2cnc[nH]2)CC1 ZINC000336178619 535108797 /nfs/dbraw/zinc/10/87/97/535108797.db2.gz URGKWCGQIOUODW-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN CC(C)CN1CCO[C@@H](c2ccco2)C1 ZINC000177679659 535115032 /nfs/dbraw/zinc/11/50/32/535115032.db2.gz KYEKAKHHNBONAU-GFCCVEGCSA-N 0 1 209.289 2.309 20 0 BEADMN CC(C)N1C(=O)CN(CCCCF)CC1(C)C ZINC000352006892 535126738 /nfs/dbraw/zinc/12/67/38/535126738.db2.gz VUXVZRVMDUKPRF-UHFFFAOYSA-N 0 1 244.354 2.067 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cccc2[nH]cnc21 ZINC000335319180 535201029 /nfs/dbraw/zinc/20/10/29/535201029.db2.gz BSFAEOGQCYUTSG-GFCCVEGCSA-N 0 1 243.310 2.433 20 0 BEADMN CC1CCC(NC(=O)CN2CCCCC2)CC1 ZINC000061744429 535262700 /nfs/dbraw/zinc/26/27/00/535262700.db2.gz WPINOJQIUCFKQV-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)C[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336159459 535327720 /nfs/dbraw/zinc/32/77/20/535327720.db2.gz BPRSMUCTBZKRMW-SNVBAGLBSA-N 0 1 221.304 2.060 20 0 BEADMN CCC[C@H](C)CN1CCN(C(=O)C(C)C)CC1 ZINC000342674282 535610824 /nfs/dbraw/zinc/61/08/24/535610824.db2.gz KZSKXFYZQIADKY-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CCN1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000334357208 535611050 /nfs/dbraw/zinc/61/10/50/535611050.db2.gz PMQDMIQVRRIJDW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC[C@H](C)CN1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000342936461 535611473 /nfs/dbraw/zinc/61/14/73/535611473.db2.gz VJVPCQLQPYTKHQ-OHTBPHCPSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000183173362 535631158 /nfs/dbraw/zinc/63/11/58/535631158.db2.gz YLJIWDZMQCFKSF-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCOC(=O)CN(C[C@@H](C)CC)C1CCC1 ZINC000342634116 535668020 /nfs/dbraw/zinc/66/80/20/535668020.db2.gz OMFAZNOSVIDMSE-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000261538884 535702686 /nfs/dbraw/zinc/70/26/86/535702686.db2.gz ZRMIDMHSFAZYID-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H]1CCCN1Cc1c(Cl)cnn1C ZINC000336165305 535820584 /nfs/dbraw/zinc/82/05/84/535820584.db2.gz TTWHOODSKGENAN-SECBINFHSA-N 0 1 227.739 2.448 20 0 BEADMN CCn1nccc1CN1CC(C2CCC2)C1 ZINC000348707626 535867794 /nfs/dbraw/zinc/86/77/94/535867794.db2.gz JMJUFARVAQQKCJ-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CC[C@H](O)CCNCc1ncc(Cl)s1 ZINC000225367507 535976766 /nfs/dbraw/zinc/97/67/66/535976766.db2.gz YDSUAGDZRDXXKA-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@@]1(C)CCCN([C@@H](C)c2nncn2C)C1 ZINC000336147764 536039992 /nfs/dbraw/zinc/03/99/92/536039992.db2.gz XDBQJVCQERPJFK-AAEUAGOBSA-N 0 1 236.363 2.388 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1cnns1 ZINC000336198256 536092549 /nfs/dbraw/zinc/09/25/49/536092549.db2.gz BVSCIHBJPMESIZ-BDAKNGLRSA-N 0 1 211.334 2.301 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000178306022 536116960 /nfs/dbraw/zinc/11/69/60/536116960.db2.gz HDEDEBLKSYCSJD-PHIMTYICSA-N 0 1 247.342 2.234 20 0 BEADMN CN(Cc1cnns1)C1CCCCC1 ZINC000335570746 536485559 /nfs/dbraw/zinc/48/55/59/536485559.db2.gz YSYHLGBKIRKQSM-UHFFFAOYSA-N 0 1 211.334 2.303 20 0 BEADMN CO[C@@H]1CCN(Cc2cncc(F)c2)C[C@@H]1C ZINC000334738565 536689516 /nfs/dbraw/zinc/68/95/16/536689516.db2.gz OGLCIFGPRGJEQF-GXFFZTMASA-N 0 1 238.306 2.078 20 0 BEADMN COc1cc(C)nc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000342235419 536695382 /nfs/dbraw/zinc/69/53/82/536695382.db2.gz VFVRXMRSLUPAAH-QWRGUYRKSA-N 0 1 242.269 2.142 20 0 BEADMN COCc1ccc(CN(C)[C@H]2CCCOC2)o1 ZINC000348715554 536764340 /nfs/dbraw/zinc/76/43/40/536764340.db2.gz QFXQGTUUJNKPSK-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN Cc1cnc(CNCCc2ccccc2)o1 ZINC000235951101 566367908 /nfs/dbraw/zinc/36/79/08/566367908.db2.gz FHYXDCSPODLRFX-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN CC1CN(Cc2scnc2C2CC2)C1 ZINC000334379418 566394709 /nfs/dbraw/zinc/39/47/09/566394709.db2.gz YLUUQCKLYNJIKJ-UHFFFAOYSA-N 0 1 208.330 2.472 20 0 BEADMN C[C@H](Nc1cc(C(C)(C)C)ncn1)c1nnc[nH]1 ZINC000385945336 566494660 /nfs/dbraw/zinc/49/46/60/566494660.db2.gz MQODSLMVWUSSFM-QMMMGPOBSA-N 0 1 246.318 2.065 20 0 BEADMN CN(Cc1cccs1)C[C@@H]1COC(C)(C)O1 ZINC000851718048 582963615 /nfs/dbraw/zinc/96/36/15/582963615.db2.gz CKHCZGXNERAJGK-SNVBAGLBSA-N 0 1 241.356 2.331 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000852560276 583014198 /nfs/dbraw/zinc/01/41/98/583014198.db2.gz ZOVXPPDIDGYPQK-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN C/C=C\C[C@H](CO)NCc1nc(C)c(C)s1 ZINC000893660599 583189679 /nfs/dbraw/zinc/18/96/79/583189679.db2.gz IDIWXZZNZGWKLR-DOGVGXBMSA-N 0 1 240.372 2.177 20 0 BEADMN Cc1ncoc1CN1CCS[C@H](C)[C@@H]1C ZINC000894034289 583277980 /nfs/dbraw/zinc/27/79/80/583277980.db2.gz OWBKAOIPUPJKPT-VHSXEESVSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1ccc(F)cc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853217063 588725556 /nfs/dbraw/zinc/72/55/56/588725556.db2.gz USCYSRZKKOSNCW-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)C[C@H]1CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219020 588725719 /nfs/dbraw/zinc/72/57/19/588725719.db2.gz CNBVFDSNISJGAQ-BBBLOLIVSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1cscc1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853219069 588725723 /nfs/dbraw/zinc/72/57/23/588725723.db2.gz CUFICMWIKPXNEC-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN CCC/C(C)=C\C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853218226 588725812 /nfs/dbraw/zinc/72/58/12/588725812.db2.gz JSURVONFEJAJJT-JGAIRUGNSA-N 0 1 223.276 2.155 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000853221116 588726086 /nfs/dbraw/zinc/72/60/86/588726086.db2.gz UGYCTJOXBYULTM-KXUCPTDWSA-N 0 1 237.303 2.235 20 0 BEADMN CCC(=CC(=O)O[C@@H](C)c1nnc[nH]1)CC ZINC000853220298 588726298 /nfs/dbraw/zinc/72/62/98/588726298.db2.gz KEVNXVRQEWSQDA-QMMMGPOBSA-N 0 1 223.276 2.155 20 0 BEADMN CCC(CC)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853220674 588726300 /nfs/dbraw/zinc/72/63/00/588726300.db2.gz MRQVPBQZHIEXIU-MRVPVSSYSA-N 0 1 225.292 2.235 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222644 588726520 /nfs/dbraw/zinc/72/65/20/588726520.db2.gz PVQSPKWZUXPLLR-XHNCKOQMSA-N 0 1 225.292 2.091 20 0 BEADMN CCCC[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224773 588726820 /nfs/dbraw/zinc/72/68/20/588726820.db2.gz YSCKZRNTVIFDTL-RKDXNWHRSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@H](OC(=O)CC(C)(C)C1CC1)c1nnc[nH]1 ZINC000853224706 588726857 /nfs/dbraw/zinc/72/68/57/588726857.db2.gz HKIVMJJXKIDUIL-QMMMGPOBSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)C[C@@H]1CCC[C@@H]1C)c1nnc[nH]1 ZINC000853223974 588726872 /nfs/dbraw/zinc/72/68/72/588726872.db2.gz BTRVMZARHDNDTN-GUBZILKMSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)C[C@@H]1CCC[C@H]1C)c1nnc[nH]1 ZINC000853223983 588726878 /nfs/dbraw/zinc/72/68/78/588726878.db2.gz BTRVMZARHDNDTN-UTLUCORTSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)[C@]1(C)CCC[C@H]1C)c1nnc[nH]1 ZINC000853224456 588726883 /nfs/dbraw/zinc/72/68/83/588726883.db2.gz GOAVGYJQVCOHTF-VDDIYKPWSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000853223959 588726913 /nfs/dbraw/zinc/72/69/13/588726913.db2.gz BPZLWHPWMUURHQ-ZJUUUORDSA-N 0 1 245.282 2.213 20 0 BEADMN C[C@H](OC(=O)[C@@]1(C)CCC[C@@H]1C)c1nnc[nH]1 ZINC000853224453 588726967 /nfs/dbraw/zinc/72/69/67/588726967.db2.gz GOAVGYJQVCOHTF-AUTRQRHGSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)C1=CC[C@H](C)CC1)c1nnc[nH]1 ZINC000853225235 588727123 /nfs/dbraw/zinc/72/71/23/588727123.db2.gz MXSMGVQCSGZCMF-IUCAKERBSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@@H](OC(=O)/C=C\C1CCCC1)c1nnc[nH]1 ZINC000853226258 588727269 /nfs/dbraw/zinc/72/72/69/588727269.db2.gz VQJXLUDGZSPELO-ATJFRQLMSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)CCCC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224983 588727283 /nfs/dbraw/zinc/72/72/83/588727283.db2.gz JJGJXLOAKQJJEL-SECBINFHSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nnc[nH]1 ZINC000853225937 588727503 /nfs/dbraw/zinc/72/75/03/588727503.db2.gz SZKNNLYEOUXPNX-CHWFTXMASA-N 0 1 247.298 2.011 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CC2CCC1CC2)c1nnc[nH]1 ZINC000853226351 588727625 /nfs/dbraw/zinc/72/76/25/588727625.db2.gz WVNZAXWZZXPFRR-IDWGSYCQSA-N 0 1 249.314 2.235 20 0 BEADMN C[C@@H](OC(=O)[C@H](F)c1ccccc1)c1nnc[nH]1 ZINC000853226584 588727665 /nfs/dbraw/zinc/72/76/65/588727665.db2.gz YMVVHPPRIRLOOB-PSASIEDQSA-N 0 1 249.245 2.120 20 0 BEADMN CC(C)C[C@@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853226369 588727667 /nfs/dbraw/zinc/72/76/67/588727667.db2.gz WBBGLPIGIYTHAP-RKDXNWHRSA-N 0 1 225.292 2.091 20 0 BEADMN C[C@@H](OC(=O)[C@H]1CC2CCC1CC2)c1nnc[nH]1 ZINC000853226354 588727718 /nfs/dbraw/zinc/72/77/18/588727718.db2.gz WVNZAXWZZXPFRR-SFXRXQKFSA-N 0 1 249.314 2.235 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1nnc[nH]1 ZINC000853227414 588727807 /nfs/dbraw/zinc/72/78/07/588727807.db2.gz PWNBQYFDMGKBGM-JMJZKYOTSA-N 0 1 249.314 2.235 20 0 BEADMN C[C@H](OC(=O)C1=CCCCCC1)c1nnc[nH]1 ZINC000853226661 588727850 /nfs/dbraw/zinc/72/78/50/588727850.db2.gz ZJIVXVSYQJRCDE-VIFPVBQESA-N 0 1 235.287 2.299 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000111253920 588737734 /nfs/dbraw/zinc/73/77/34/588737734.db2.gz DUAKJQYIXJVQJO-TZMCWYRMSA-N 0 1 247.338 2.456 20 0 BEADMN Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111255493 588737924 /nfs/dbraw/zinc/73/79/24/588737924.db2.gz MXWDPCRIXLACII-TZMCWYRMSA-N 0 1 247.338 2.456 20 0 BEADMN CC(C)[C@@H]1CCN(CN2CCC[C@H](C)C2)C1=O ZINC000853486674 588745580 /nfs/dbraw/zinc/74/55/80/588745580.db2.gz AWSVTXXKZQAXNM-STQMWFEESA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@@H]1CCN(CN2C3CCC2CC3)C1=O ZINC000853489880 588745630 /nfs/dbraw/zinc/74/56/30/588745630.db2.gz KHSBPKMOXNVXOV-BPCQOVAHSA-N 0 1 236.359 2.075 20 0 BEADMN CC[C@H](C)CN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853494163 588745987 /nfs/dbraw/zinc/74/59/87/588745987.db2.gz KUKGLYCHEXFKJC-STQMWFEESA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)[C@H]1CCN(CN(C)CCC2CC2)C1=O ZINC000853503399 588746439 /nfs/dbraw/zinc/74/64/39/588746439.db2.gz SCYFMOZLISCEEJ-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)C[C@@H]2CC2(C)C)C1 ZINC000853628134 588750747 /nfs/dbraw/zinc/75/07/47/588750747.db2.gz NSEAKBREFUHKDK-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN CCC(N)=NOCCC1SCCS1 ZINC000853656528 588752660 /nfs/dbraw/zinc/75/26/60/588752660.db2.gz REPDETZRMQITOZ-UHFFFAOYSA-N 0 1 220.363 2.091 20 0 BEADMN COc1ccc(CON=C(N)C(C)C)cc1 ZINC000853685135 588755798 /nfs/dbraw/zinc/75/57/98/588755798.db2.gz QJZWIPXZWNGHCL-UHFFFAOYSA-N 0 1 222.288 2.350 20 0 BEADMN COc1cccc(CN2CCC(C(C)=O)CC2)c1 ZINC000111690797 588767426 /nfs/dbraw/zinc/76/74/26/588767426.db2.gz KFIMXWPREQHGLR-UHFFFAOYSA-N 0 1 247.338 2.496 20 0 BEADMN Cc1ccc(CN2CCCc3n[nH]cc3C2)cn1 ZINC000854055262 588772680 /nfs/dbraw/zinc/77/26/80/588772680.db2.gz ZSIYEBHEKFYBGB-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN CO[C@@H]1CC[C@H](c2nc([C@@H](N)C(C)C)no2)C1 ZINC000854132487 588775995 /nfs/dbraw/zinc/77/59/95/588775995.db2.gz AHYSPADEKBILQL-AEJSXWLSSA-N 0 1 239.319 2.008 20 0 BEADMN CC[C@@H](C)CONC(=O)Cc1occc1C ZINC000854602473 588796820 /nfs/dbraw/zinc/79/68/20/588796820.db2.gz PTNIEHDKYQRJOD-SECBINFHSA-N 0 1 225.288 2.224 20 0 BEADMN CC(C)[C@H](F)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854810354 588811944 /nfs/dbraw/zinc/81/19/44/588811944.db2.gz RQTFAJFAYSDWGU-LBPRGKRZSA-N 0 1 249.289 2.173 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=C1CCCCC1 ZINC000855134356 588822928 /nfs/dbraw/zinc/82/29/28/588822928.db2.gz LMGMIUVPYJZRCJ-UHFFFAOYSA-N 0 1 233.315 2.259 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)/C=C/C1CCCC1 ZINC000855135633 588823194 /nfs/dbraw/zinc/82/31/94/588823194.db2.gz RDROHMYPVMAOIF-VOTSOKGWSA-N 0 1 233.315 2.115 20 0 BEADMN CC/C(C)=C(\C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855136712 588823259 /nfs/dbraw/zinc/82/32/59/588823259.db2.gz RKJYCELVWJFUNH-MDZDMXLPSA-N 0 1 221.304 2.115 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN2CCC(C)CC2)C1 ZINC000113237918 588827565 /nfs/dbraw/zinc/82/75/65/588827565.db2.gz WGHXNKBSRVYELW-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)CCN(CN1CCCC1=O)C1CC1 ZINC000113239728 588827683 /nfs/dbraw/zinc/82/76/83/588827683.db2.gz NEEVXIRDPGUNRA-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@H]1c2ccccc2CN1C(=O)[C@@H](C)N(C)C ZINC000890617287 582488081 /nfs/dbraw/zinc/48/80/81/582488081.db2.gz SUEVVNOVVYESKW-RISCZKNCSA-N 0 1 246.354 2.430 20 0 BEADMN O=C(N[C@@H](c1ccncc1)C1CC1)C(F)(F)F ZINC000890915887 582590605 /nfs/dbraw/zinc/59/06/05/582590605.db2.gz GUUDYPNSXALYQY-SECBINFHSA-N 0 1 244.216 2.211 20 0 BEADMN CCCCCCNC(=O)CCc1cnc[nH]1 ZINC000138977724 582594739 /nfs/dbraw/zinc/59/47/39/582594739.db2.gz VITRJQMITFDYFZ-UHFFFAOYSA-N 0 1 223.320 2.039 20 0 BEADMN C[C@@]1(CCNCc2csnn2)C[C@]1(F)Cl ZINC000846037910 582643047 /nfs/dbraw/zinc/64/30/47/582643047.db2.gz NAFPBAUDVWQYNW-RKDXNWHRSA-N 0 1 249.742 2.332 20 0 BEADMN C[C@H](C(=O)NC1(C2CCCCC2)CC1)N(C)C ZINC000891276597 582651540 /nfs/dbraw/zinc/65/15/40/582651540.db2.gz ZBPSNVVAWHHMKG-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CCOc1ccc(CN(C)C[C@H]2CCCO2)o1 ZINC000891581496 582698978 /nfs/dbraw/zinc/69/89/78/582698978.db2.gz KEHSDXKEOKGDDV-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN Cc1cc(N)nc(N[C@@H]2CCc3ccccc32)n1 ZINC000891619536 582702665 /nfs/dbraw/zinc/70/26/65/582702665.db2.gz PUBXZGVXJSKFLI-GFCCVEGCSA-N 0 1 240.310 2.467 20 0 BEADMN Cc1cc(N)nc(N(C)[C@H](C)C(C)(C)C)n1 ZINC000891720905 582713967 /nfs/dbraw/zinc/71/39/67/582713967.db2.gz OUYMQJFKTACVCW-SECBINFHSA-N 0 1 222.336 2.238 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000891797901 582723194 /nfs/dbraw/zinc/72/31/94/582723194.db2.gz LLPDINDHJAVIPH-SNVBAGLBSA-N 0 1 205.305 2.060 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)C2)c1F ZINC000891797914 582723342 /nfs/dbraw/zinc/72/33/42/582723342.db2.gz LXWJRMVPYIMTFW-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN CCOCCN(CC)Cc1cn(CC)nc1C ZINC000891819526 582726460 /nfs/dbraw/zinc/72/64/60/582726460.db2.gz WWAMQJNFVYZTAC-UHFFFAOYSA-N 0 1 239.363 2.070 20 0 BEADMN CCOc1ccc(C[N@H+]2CCCO[C@H](C)C2)o1 ZINC000891917312 582737606 /nfs/dbraw/zinc/73/76/06/582737606.db2.gz KCULTDGWWXXNHS-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CCOc1ccc(CN2CCCO[C@H](C)C2)o1 ZINC000891917312 582737607 /nfs/dbraw/zinc/73/76/07/582737607.db2.gz KCULTDGWWXXNHS-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)CCCO1 ZINC000891915623 582737907 /nfs/dbraw/zinc/73/79/07/582737907.db2.gz JCLBRIFIBBWREN-GFCCVEGCSA-N 0 1 249.358 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CCCO1 ZINC000891916785 582738126 /nfs/dbraw/zinc/73/81/26/582738126.db2.gz OWYCZLINUODEBJ-GFCCVEGCSA-N 0 1 247.338 2.232 20 0 BEADMN COc1nccc(CN2CCC[C@@H]2C)c1F ZINC000892018384 582761666 /nfs/dbraw/zinc/76/16/66/582761666.db2.gz BCEFUVMTSJYFFV-VIFPVBQESA-N 0 1 224.279 2.214 20 0 BEADMN COCCOc1ccc(CN2CCC2(C)C)o1 ZINC000892057754 582776973 /nfs/dbraw/zinc/77/69/73/582776973.db2.gz KSMNUXFHYLVPME-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN CCOc1ccc(CN2CCC(C)(O)CC2)o1 ZINC000892056078 582778026 /nfs/dbraw/zinc/77/80/26/582778026.db2.gz NVFSYHNAGTXOCQ-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN COc1ccc(CN(C)CCOCC2CC2)o1 ZINC000892159261 582803639 /nfs/dbraw/zinc/80/36/39/582803639.db2.gz MUNHNMWSMIOXOU-UHFFFAOYSA-N 0 1 239.315 2.147 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)[C@H]2C)c1F ZINC000892215562 582808514 /nfs/dbraw/zinc/80/85/14/582808514.db2.gz YALHZBBWQHCKHU-NXEZZACHSA-N 0 1 238.306 2.460 20 0 BEADMN CC=CC=CC(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849635689 582854295 /nfs/dbraw/zinc/85/42/95/582854295.db2.gz ZIJRBLMUHZNISZ-KNLJLUSBSA-N 0 1 235.287 2.104 20 0 BEADMN COc1ccc(CNCCOc2ccccc2)o1 ZINC000892440192 582887641 /nfs/dbraw/zinc/88/76/41/582887641.db2.gz QUCMUPDWUQRVOQ-UHFFFAOYSA-N 0 1 247.294 2.457 20 0 BEADMN C[C@H]1CN(C)C(=O)CN1CC1CCCCCC1 ZINC000782596365 582917936 /nfs/dbraw/zinc/91/79/36/582917936.db2.gz QSKWBKGVDHMMSD-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCn1cc(CNCc2ccc(C)nc2)c(C)n1 ZINC000892604381 582927194 /nfs/dbraw/zinc/92/71/94/582927194.db2.gz ASFCOCBFIZQAEJ-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CC(C)CC[N@@H+](CCCC(=O)[O-])C1CC1 ZINC000109276558 582953158 /nfs/dbraw/zinc/95/31/58/582953158.db2.gz HRKPZZOZEQWCID-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1nnc(C2CC2)s1 ZINC000840892280 582968944 /nfs/dbraw/zinc/96/89/44/582968944.db2.gz XJUBXAQJNUALCG-APPZFPTMSA-N 0 1 223.345 2.304 20 0 BEADMN O=C(NOCC1CCC1)[C@H]1Cc2ccc(F)cc21 ZINC000856351044 588870038 /nfs/dbraw/zinc/87/00/38/588870038.db2.gz ANCUKSQZLOFMBW-ZDUSSCGKSA-N 0 1 249.285 2.313 20 0 BEADMN CCc1onc(C)c1CNCCOCC1CC1 ZINC000892946876 583016446 /nfs/dbraw/zinc/01/64/46/583016446.db2.gz RGKKQCMXIPVZAM-UHFFFAOYSA-N 0 1 238.331 2.062 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)OCc1c[nH]nn1 ZINC000892994256 583026872 /nfs/dbraw/zinc/02/68/72/583026872.db2.gz CGWJZYZPRGRCAU-JOYOIKCWSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnn(C)c2)cnc1F ZINC000893032084 583033906 /nfs/dbraw/zinc/03/39/06/583033906.db2.gz HNLNKBKCJCWMRQ-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnn(C)c2)cnc1F ZINC000893032085 583033997 /nfs/dbraw/zinc/03/39/97/583033997.db2.gz HNLNKBKCJCWMRQ-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1cc(N)nc(N2C[C@H](C)CC(C)(C)C2)n1 ZINC000893134020 583055096 /nfs/dbraw/zinc/05/50/96/583055096.db2.gz FHBDYGCICJKGIB-SECBINFHSA-N 0 1 234.347 2.240 20 0 BEADMN CCn1cc(CN[C@H]2C[C@H]2C2CCCCC2)nn1 ZINC000893356603 583121542 /nfs/dbraw/zinc/12/15/42/583121542.db2.gz NELUUTJSXKVUGO-KBPBESRZSA-N 0 1 248.374 2.356 20 0 BEADMN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccoc1 ZINC000094868832 583171102 /nfs/dbraw/zinc/17/11/02/583171102.db2.gz KOIXGCDKLKVIKA-JQWIXIFHSA-N 0 1 238.331 2.091 20 0 BEADMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccoc1 ZINC000094868834 583171276 /nfs/dbraw/zinc/17/12/76/583171276.db2.gz KOIXGCDKLKVIKA-PWSUYJOCSA-N 0 1 238.331 2.091 20 0 BEADMN Cc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223839359 583181535 /nfs/dbraw/zinc/18/15/35/583181535.db2.gz QSJANBLQCWLCQB-AAEUAGOBSA-N 0 1 233.311 2.148 20 0 BEADMN Cn1cc(CN2CC[C@H](C3CC3)C2)c(Cl)n1 ZINC000857023241 588882761 /nfs/dbraw/zinc/88/27/61/588882761.db2.gz PGDVZACSVNGYST-JTQLQIEISA-N 0 1 239.750 2.305 20 0 BEADMN Cn1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(Cl)n1 ZINC000857024051 588882869 /nfs/dbraw/zinc/88/28/69/588882869.db2.gz LDGYTPJEVJFVIX-AOOOYVTPSA-N 0 1 239.750 2.161 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cn(C)nc1Cl ZINC000857026913 588882907 /nfs/dbraw/zinc/88/29/07/588882907.db2.gz WDTNCGVRDSRTDF-IUCAKERBSA-N 0 1 227.739 2.446 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nc2Cl)[C@H]1C ZINC000857026612 588883100 /nfs/dbraw/zinc/88/31/00/588883100.db2.gz SVQNHSSQFDBLRI-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN CCN(CC(=O)Nc1cnc(C)c(C)c1)C1CC1 ZINC000893814796 583226315 /nfs/dbraw/zinc/22/63/15/583226315.db2.gz MHWCSAHWGZUNHR-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1cc(N)nc(N2CCC3(CCC3)CC2)n1 ZINC000893836352 583228756 /nfs/dbraw/zinc/22/87/56/583228756.db2.gz MRTKKRQAUXZWFF-UHFFFAOYSA-N 0 1 232.331 2.138 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2ccoc2)c1C ZINC000893973443 583264917 /nfs/dbraw/zinc/26/49/17/583264917.db2.gz KRMSOIWWUMTVRT-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN Cc1coc(CN2CCCO[C@@H](C)C2)c1 ZINC000893995968 583267642 /nfs/dbraw/zinc/26/76/42/583267642.db2.gz RDUWDLVOOPWNAB-NSHDSACASA-N 0 1 209.289 2.199 20 0 BEADMN CC1(C)CCN1Cc1ccc2oc(=O)oc2c1 ZINC000894032655 583277269 /nfs/dbraw/zinc/27/72/69/583277269.db2.gz QMWPMEBCATZEEI-UHFFFAOYSA-N 0 1 233.267 2.370 20 0 BEADMN CCc1onc(C)c1CNC1CC(F)(F)C1 ZINC000894036443 583279736 /nfs/dbraw/zinc/27/97/36/583279736.db2.gz HDYQIEYGCJYVND-UHFFFAOYSA-N 0 1 230.258 2.433 20 0 BEADMN CCCn1cc(CN2CC[C@H](C)[C@H]2CC)nn1 ZINC000877413015 583312985 /nfs/dbraw/zinc/31/29/85/583312985.db2.gz CJSCBQQIOVYFKU-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN COc1ccc(CN2CC(C(C)C)C2)o1 ZINC000894134848 583313632 /nfs/dbraw/zinc/31/36/32/583313632.db2.gz OWAZPVXOVUIYSA-UHFFFAOYSA-N 0 1 209.289 2.376 20 0 BEADMN Cc1ccc2c(c1C)OC[C@@H]2NCc1cnc[nH]1 ZINC000894138159 583314231 /nfs/dbraw/zinc/31/42/31/583314231.db2.gz YKSPSPQRLMSQGN-ZDUSSCGKSA-N 0 1 243.310 2.250 20 0 BEADMN Cc1conc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000877934060 583354216 /nfs/dbraw/zinc/35/42/16/583354216.db2.gz AKWFYZZQILWOMM-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN CC[C@H](O)[C@H]1CCCCN1Cc1nocc1C ZINC000878120491 583362008 /nfs/dbraw/zinc/36/20/08/583362008.db2.gz LXBLADPSQPWNMH-OLZOCXBDSA-N 0 1 238.331 2.108 20 0 BEADMN CC[C@H](O)[C@@H]1CCCCN1Cc1nocc1C ZINC000878120498 583362410 /nfs/dbraw/zinc/36/24/10/583362410.db2.gz LXBLADPSQPWNMH-STQMWFEESA-N 0 1 238.331 2.108 20 0 BEADMN CCC(C)(C)NCc1ncc(C(=O)OC)s1 ZINC000894210428 583373344 /nfs/dbraw/zinc/37/33/44/583373344.db2.gz BLEHKVJRTSGLDF-UHFFFAOYSA-N 0 1 242.344 2.208 20 0 BEADMN C=C/C=C\CCN[C@@H](C)c1nc(C)no1 ZINC000878418272 583373823 /nfs/dbraw/zinc/37/38/23/583373823.db2.gz XBPHRIHJJRMBOH-UDIARPCQSA-N 0 1 207.277 2.161 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)CN1CCCC1 ZINC000726874553 583379922 /nfs/dbraw/zinc/37/99/22/583379922.db2.gz BPTKZGFIYAFHGE-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1ncoc1CNC[C@H](O)C1CCCCC1 ZINC000894221738 583383008 /nfs/dbraw/zinc/38/30/08/583383008.db2.gz QDQDVESKDVPTMG-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN CC[C@H]1CN(Cc2ccc(OC)o2)CCCO1 ZINC000894244582 583388968 /nfs/dbraw/zinc/38/89/68/583388968.db2.gz UHMDQCFIKUMUMX-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN O=C1CCN1CN1CCC[C@H]1c1ccccc1 ZINC000857229319 588896529 /nfs/dbraw/zinc/89/65/29/588896529.db2.gz OSFAKTUPDXPQLE-ZDUSSCGKSA-N 0 1 230.311 2.013 20 0 BEADMN O=C1CCN1CN1CCC[C@@H]1c1ccccc1 ZINC000857229318 588896550 /nfs/dbraw/zinc/89/65/50/588896550.db2.gz OSFAKTUPDXPQLE-CYBMUJFWSA-N 0 1 230.311 2.013 20 0 BEADMN COc1ccc(CNCc2c[nH]cn2)c(C)c1 ZINC000894351907 583433596 /nfs/dbraw/zinc/43/35/96/583433596.db2.gz MGRQBTFMLJGEOE-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN CN1CCCc2cc(NCc3cnc[nH]3)ccc21 ZINC000894404155 583450427 /nfs/dbraw/zinc/45/04/27/583450427.db2.gz UTCOHHUIRYJHDJ-UHFFFAOYSA-N 0 1 242.326 2.404 20 0 BEADMN CCOc1ccc(CN(C)C[C@H](C)OC)o1 ZINC000894435231 583458727 /nfs/dbraw/zinc/45/87/27/583458727.db2.gz MUHUXSDDPFYKME-JTQLQIEISA-N 0 1 227.304 2.145 20 0 BEADMN Cc1ncoc1CN(C)CCc1ccccn1 ZINC000894448641 583461750 /nfs/dbraw/zinc/46/17/50/583461750.db2.gz JROXLRPUQCISTI-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Fc1cccc2c1CCN2Cc1cnc[nH]1 ZINC000894470482 583468986 /nfs/dbraw/zinc/46/89/86/583468986.db2.gz OOSGHIHDAQOBFU-UHFFFAOYSA-N 0 1 217.247 2.112 20 0 BEADMN C[C@@H]1CN(Cc2cnc[nH]2)c2ccccc2O1 ZINC000894471923 583469361 /nfs/dbraw/zinc/46/93/61/583469361.db2.gz UROVOBDFXCLLGP-SNVBAGLBSA-N 0 1 229.283 2.197 20 0 BEADMN Cc1coc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000894486841 583471649 /nfs/dbraw/zinc/47/16/49/583471649.db2.gz DTEHTJSZFFDDIP-VXGBXAGGSA-N 0 1 222.332 2.112 20 0 BEADMN c1nn(C2CCC2)cc1CN1CC(C2CC2)C1 ZINC000894566190 583484233 /nfs/dbraw/zinc/48/42/33/583484233.db2.gz OEZVJAAYHXLUHD-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN c1cc(CN2CC(C3CC3)C2)n(C2CCC2)n1 ZINC000894566643 583485134 /nfs/dbraw/zinc/48/51/34/583485134.db2.gz RNYVZIFLGWZHLS-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN CCOCC(C)(C)NCc1ccc(OC)o1 ZINC000894615297 583494058 /nfs/dbraw/zinc/49/40/58/583494058.db2.gz IMJDOAYDIBAQGY-UHFFFAOYSA-N 0 1 227.304 2.193 20 0 BEADMN C[C@]1(Br)C[C@H]1CN1CC[C@@H](F)C1 ZINC000894669919 583503190 /nfs/dbraw/zinc/50/31/90/583503190.db2.gz ALOBUJNSEKEGHQ-YIZRAAEISA-N 0 1 236.128 2.204 20 0 BEADMN CCOC1CC(N(C)Cc2[nH]nc(C)c2C)C1 ZINC000894780384 583520804 /nfs/dbraw/zinc/52/08/04/583520804.db2.gz BYOWNAKJVQLQEF-UHFFFAOYSA-N 0 1 237.347 2.026 20 0 BEADMN C[C@@H]1Oc2ccccc2[C@H]1NCc1cnc[nH]1 ZINC000894786380 583521803 /nfs/dbraw/zinc/52/18/03/583521803.db2.gz HDOREMZZZKJRDR-ZANVPECISA-N 0 1 229.283 2.022 20 0 BEADMN O=c1cc(CN2CC(CC(F)(F)F)C2)cc[nH]1 ZINC000894827376 583526492 /nfs/dbraw/zinc/52/64/92/583526492.db2.gz BIIAGKWRTAZWHN-UHFFFAOYSA-N 0 1 246.232 2.171 20 0 BEADMN CC(C)[C@@H]1N(Cc2c[nH]cn2)CC12CCC2 ZINC000894831548 583528483 /nfs/dbraw/zinc/52/84/83/583528483.db2.gz AQEPMXLXWHJZLN-LBPRGKRZSA-N 0 1 219.332 2.420 20 0 BEADMN CCn1cc(CN2CC(C)(CC)C2)c(C)n1 ZINC000894841464 583529750 /nfs/dbraw/zinc/52/97/50/583529750.db2.gz WVBAQKPGJOPBBP-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN Cn1c2ccccc2[nH+]c1NCCCCC(=O)[O-] ZINC000668161410 583530752 /nfs/dbraw/zinc/53/07/52/583530752.db2.gz DBDMHXZMTZBNAL-UHFFFAOYSA-N 0 1 247.298 2.240 20 0 BEADMN CCOc1cncc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000894861209 583534054 /nfs/dbraw/zinc/53/40/54/583534054.db2.gz BJSGXRFQWPCBQN-MNOVXSKESA-N 0 1 220.316 2.321 20 0 BEADMN CC(C)n1cncc1CN1C[C@H](C)[C@@H]1C ZINC000894861542 583536328 /nfs/dbraw/zinc/53/63/28/583536328.db2.gz KMCJPESSXVIDKE-QWRGUYRKSA-N 0 1 207.321 2.304 20 0 BEADMN Cc1noc2ncc(CN3C[C@@H](C)[C@@H]3C)cc12 ZINC000894862415 583537168 /nfs/dbraw/zinc/53/71/68/583537168.db2.gz XUSLZUHUSACUQA-SCZZXKLOSA-N 0 1 231.299 2.371 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC[C@@H]1c1ccc[nH]1 ZINC000748814306 583551237 /nfs/dbraw/zinc/55/12/37/583551237.db2.gz YYRKBCRHSNDYST-SVTZGKHISA-N 0 1 248.326 2.271 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC[C@H]1c1ccc[nH]1 ZINC000748814307 583551387 /nfs/dbraw/zinc/55/13/87/583551387.db2.gz YYRKBCRHSNDYST-YLBKJLTLSA-N 0 1 248.326 2.271 20 0 BEADMN Cc1ncoc1CNc1ccc2c(n1)CCC2 ZINC000894917697 583555434 /nfs/dbraw/zinc/55/54/34/583555434.db2.gz QNHSFJZBHMJGBM-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN CCC1(C)CN(Cc2c(C)ccnc2N)C1 ZINC000894979874 583563017 /nfs/dbraw/zinc/56/30/17/583563017.db2.gz DPAHLNJNBHZQMK-UHFFFAOYSA-N 0 1 219.332 2.204 20 0 BEADMN Cc1coc(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000895053409 583574350 /nfs/dbraw/zinc/57/43/50/583574350.db2.gz IOJPDXDOPLWHLS-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN COc1ccc(N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000857862246 588915380 /nfs/dbraw/zinc/91/53/80/588915380.db2.gz ZKXJJNNFYACCAM-LLVKDONJSA-N 0 1 244.298 2.303 20 0 BEADMN CC1=NO[C@@H](CNCc2ccccc2N(C)C)C1 ZINC000895309310 583646354 /nfs/dbraw/zinc/64/63/54/583646354.db2.gz SXZWRSLZLPFICF-CYBMUJFWSA-N 0 1 247.342 2.007 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CC(C)=NO2)s1 ZINC000895309817 583646760 /nfs/dbraw/zinc/64/67/60/583646760.db2.gz VGQNDISPYTVJMO-SNVBAGLBSA-N 0 1 239.344 2.014 20 0 BEADMN C[C@H]1C[C@@H](CN2Cc3ccncc3C2)CCO1 ZINC000857879975 588920018 /nfs/dbraw/zinc/92/00/18/588920018.db2.gz YBPFVCPOBIEJJT-RYUDHWBXSA-N 0 1 232.327 2.212 20 0 BEADMN CSC1CCN(Cc2ocnc2C)CC1 ZINC000895416404 583667487 /nfs/dbraw/zinc/66/74/87/583667487.db2.gz VPTUIKAVENPTHP-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN CCCCCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000895430630 583669498 /nfs/dbraw/zinc/66/94/98/583669498.db2.gz FMHOSFGVJRQFCA-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H]1C[C@H](CN2Cc3ccncc3C2)CCO1 ZINC000857879976 588920164 /nfs/dbraw/zinc/92/01/64/588920164.db2.gz YBPFVCPOBIEJJT-VXGBXAGGSA-N 0 1 232.327 2.212 20 0 BEADMN [O-]c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1F ZINC000895434261 583672338 /nfs/dbraw/zinc/67/23/38/583672338.db2.gz UPAZCTBYYHGJBF-QWRGUYRKSA-N 0 1 221.275 2.373 20 0 BEADMN [O-]c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1F ZINC000895434261 583672339 /nfs/dbraw/zinc/67/23/39/583672339.db2.gz UPAZCTBYYHGJBF-QWRGUYRKSA-N 0 1 221.275 2.373 20 0 BEADMN CSC1(CN(C)Cc2ccns2)CC1 ZINC000895451645 583676329 /nfs/dbraw/zinc/67/63/29/583676329.db2.gz BQMMGJDLVSJQCI-UHFFFAOYSA-N 0 1 228.386 2.471 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000895450995 583676541 /nfs/dbraw/zinc/67/65/41/583676541.db2.gz DPZFVPZYASHDQS-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)NC(C)(C)C)c2C1 ZINC000895452766 583677160 /nfs/dbraw/zinc/67/71/60/583677160.db2.gz VKWKTXVAOLMTKR-MRVPVSSYSA-N 0 1 235.331 2.063 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000895462755 583678383 /nfs/dbraw/zinc/67/83/83/583678383.db2.gz WGTRIFPWLMBYCW-VXGBXAGGSA-N 0 1 238.375 2.260 20 0 BEADMN CCC(CC)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895479484 583679994 /nfs/dbraw/zinc/67/99/94/583679994.db2.gz USZFHYCXRUWCBR-NSHDSACASA-N 0 1 226.364 2.164 20 0 BEADMN CCC[C@@](C)(CO)NCc1nc(C(C)C)c[nH]1 ZINC000883003776 583681458 /nfs/dbraw/zinc/68/14/58/583681458.db2.gz HGINIUBOZCITOY-ZDUSSCGKSA-N 0 1 239.363 2.174 20 0 BEADMN FC[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000895545004 583689603 /nfs/dbraw/zinc/68/96/03/583689603.db2.gz QWYMSICKLYJEHY-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000895558407 583691120 /nfs/dbraw/zinc/69/11/20/583691120.db2.gz JJDLUXFWWBFHPC-OCAPTIKFSA-N 0 1 225.723 2.077 20 0 BEADMN CONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000895624229 583697610 /nfs/dbraw/zinc/69/76/10/583697610.db2.gz XWFSZTDJNKFWFQ-GFCCVEGCSA-N 0 1 234.299 2.033 20 0 BEADMN CC(C)CCCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000895648165 583699401 /nfs/dbraw/zinc/69/94/01/583699401.db2.gz SUSMLKNVZSQRIZ-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN COC1CC(NCc2cc(O)ccc2Cl)C1 ZINC000895636846 583700084 /nfs/dbraw/zinc/70/00/84/583700084.db2.gz ALIWOOUAEIUFMC-UHFFFAOYSA-N 0 1 241.718 2.313 20 0 BEADMN CC(=O)OC[C@H](C)NCc1cccc(F)c1F ZINC000895705177 583710150 /nfs/dbraw/zinc/71/01/50/583710150.db2.gz WYTFQMKHDVOTBA-QMMMGPOBSA-N 0 1 243.253 2.006 20 0 BEADMN CCCSC[C@H](C)NCc1ncc[nH]1 ZINC000895704730 583710217 /nfs/dbraw/zinc/71/02/17/583710217.db2.gz OTGYKYDIHKKPOQ-VIFPVBQESA-N 0 1 213.350 2.031 20 0 BEADMN C[C@H](N[C@H]1CSC[C@@H]1C)c1ncco1 ZINC000895764485 583722463 /nfs/dbraw/zinc/72/24/63/583722463.db2.gz HNWGNRLMCUNVFK-CIUDSAMLSA-N 0 1 212.318 2.077 20 0 BEADMN C[C@H](NCC1CCC2(CC1)OCCO2)C(F)F ZINC000895724981 583713192 /nfs/dbraw/zinc/71/31/92/583713192.db2.gz JSHFJKFWPPPFCN-VIFPVBQESA-N 0 1 249.301 2.163 20 0 BEADMN FC(F)c1noc(CNC[C@@H]2CC=CCC2)n1 ZINC000895727874 583713704 /nfs/dbraw/zinc/71/37/04/583713704.db2.gz VBNVULVGUUBKIR-MRVPVSSYSA-N 0 1 243.257 2.453 20 0 BEADMN C[C@H]1CC[C@@H](NCc2nc(C(F)F)no2)C1 ZINC000895727114 583713743 /nfs/dbraw/zinc/71/37/43/583713743.db2.gz NTBGGOBENWWHGR-NKWVEPMBSA-N 0 1 231.246 2.285 20 0 BEADMN C[C@H](N[C@@H]1CCS[C@H]1C)c1ncco1 ZINC000895766306 583719368 /nfs/dbraw/zinc/71/93/68/583719368.db2.gz RKXYVBOASWQCHN-XHNCKOQMSA-N 0 1 212.318 2.219 20 0 BEADMN CN1CC[C@@H]1CNc1nc2ccc(F)cc2o1 ZINC000895767416 583723276 /nfs/dbraw/zinc/72/32/76/583723276.db2.gz MHTUGAXMYDNWND-SECBINFHSA-N 0 1 235.262 2.083 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ncco2)C1(C)C ZINC000895767153 583723587 /nfs/dbraw/zinc/72/35/87/583723587.db2.gz WJGRDTUWIAYXDC-GWOFURMSSA-N 0 1 238.331 2.385 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ncco2)C1(C)C ZINC000895767152 583723609 /nfs/dbraw/zinc/72/36/09/583723609.db2.gz WJGRDTUWIAYXDC-CHWFTXMASA-N 0 1 238.331 2.385 20 0 BEADMN Cc1cccc2ncnc(NC[C@@H]3CC[N@@H+]3C)c12 ZINC000895770981 583724816 /nfs/dbraw/zinc/72/48/16/583724816.db2.gz FHVXXOWFWBBPIW-NSHDSACASA-N 0 1 242.326 2.054 20 0 BEADMN Cc1cccc2ncnc(NC[C@@H]3CCN3C)c12 ZINC000895770981 583724817 /nfs/dbraw/zinc/72/48/17/583724817.db2.gz FHVXXOWFWBBPIW-NSHDSACASA-N 0 1 242.326 2.054 20 0 BEADMN Cc1ccc2oc(NC[C@H]3CC[N@@H+]3C)nc2c1 ZINC000895771652 583725578 /nfs/dbraw/zinc/72/55/78/583725578.db2.gz OCIQLTTUGDBJRE-SNVBAGLBSA-N 0 1 231.299 2.252 20 0 BEADMN Cc1ccc2oc(NC[C@H]3CCN3C)nc2c1 ZINC000895771652 583725581 /nfs/dbraw/zinc/72/55/81/583725581.db2.gz OCIQLTTUGDBJRE-SNVBAGLBSA-N 0 1 231.299 2.252 20 0 BEADMN CC1(C)CN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895825529 583734444 /nfs/dbraw/zinc/73/44/44/583734444.db2.gz KKSAYUDHGJKZKX-UHFFFAOYSA-N 0 1 232.283 2.375 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC000895855924 583737277 /nfs/dbraw/zinc/73/72/77/583737277.db2.gz VCHZXOZJDITHEQ-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC000895855932 583737354 /nfs/dbraw/zinc/73/73/54/583737354.db2.gz VCHZXOZJDITHEQ-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](COc1ccccc1)NC(=O)C(F)(F)F ZINC000147765256 583738906 /nfs/dbraw/zinc/73/89/06/583738906.db2.gz KJFTXLUWPLYNIG-MRVPVSSYSA-N 0 1 247.216 2.132 20 0 BEADMN Cc1cccc2ncc(CN(C)CCCF)n21 ZINC000895897867 583740982 /nfs/dbraw/zinc/74/09/82/583740982.db2.gz GJSIKXQXVLTNER-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN Cc1ccc2ncc(CN(C)CCCF)n2c1 ZINC000895898045 583740993 /nfs/dbraw/zinc/74/09/93/583740993.db2.gz ISHKJNLDELBPNN-UHFFFAOYSA-N 0 1 235.306 2.434 20 0 BEADMN CN(CCCF)Cc1cnc(C2CC2)o1 ZINC000895896534 583743280 /nfs/dbraw/zinc/74/32/80/583743280.db2.gz WUBAVWFCEDXHCQ-UHFFFAOYSA-N 0 1 212.268 2.343 20 0 BEADMN CN(CCCF)Cc1c2c(nn1C)CCCC2 ZINC000895895935 583743792 /nfs/dbraw/zinc/74/37/92/583743792.db2.gz ITINMQJPJIJQGF-UHFFFAOYSA-N 0 1 239.338 2.090 20 0 BEADMN CCc1ncc(CN2C[C@H](OC)CC[C@H]2C)cn1 ZINC000895926030 583747655 /nfs/dbraw/zinc/74/76/55/583747655.db2.gz AZXRVSFPURPGDP-DGCLKSJQSA-N 0 1 249.358 2.038 20 0 BEADMN CC[C@@H](C)[C@H](CN1CC(OC(C)C)C1)OC ZINC000895954837 583752248 /nfs/dbraw/zinc/75/22/48/583752248.db2.gz IVDAYVULTUKDDA-YPMHNXCESA-N 0 1 229.364 2.157 20 0 BEADMN COCC1CN(Cc2ccc(C)c(F)c2)C1 ZINC000895971500 583756110 /nfs/dbraw/zinc/75/61/10/583756110.db2.gz RGLDYWDGKAHWTI-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN C[C@@H](CNC(=O)C=C1CCCC1)[N@@H+](C)C1CC1 ZINC000727742496 583759715 /nfs/dbraw/zinc/75/97/15/583759715.db2.gz UOKKOXNRMHXJFN-NSHDSACASA-N 0 1 236.359 2.086 20 0 BEADMN FC1CCN(Cc2cn3ccnc3s2)CC1 ZINC000895999165 583760198 /nfs/dbraw/zinc/76/01/98/583760198.db2.gz GVXGGHVBIGMAJE-UHFFFAOYSA-N 0 1 239.319 2.330 20 0 BEADMN C1=C[C@@H](CNCc2nnc(C3CC3)s2)CC1 ZINC000895995597 583761474 /nfs/dbraw/zinc/76/14/74/583761474.db2.gz UBQAHHPEIJVPPI-SECBINFHSA-N 0 1 235.356 2.471 20 0 BEADMN COC1CCC(CN[C@H](C)C(F)F)CC1 ZINC000896038746 583766187 /nfs/dbraw/zinc/76/61/87/583766187.db2.gz XPUXHTNBUOPHTD-XNWIYYODSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H]1CCCN1Cn1c2ccccc2oc1=O ZINC000727822898 583778715 /nfs/dbraw/zinc/77/87/15/583778715.db2.gz FCRMGVFJBGFLSV-LLVKDONJSA-N 0 1 246.310 2.426 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000896337649 583793267 /nfs/dbraw/zinc/79/32/67/583793267.db2.gz WKCKTEDXVMDITG-XQHKEYJVSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](N[C@@H]1CCC12CCOCC2)C(F)F ZINC000883400839 583794812 /nfs/dbraw/zinc/79/48/12/583794812.db2.gz WNJWXJIEOWBQDU-DTWKUNHWSA-N 0 1 219.275 2.189 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1nccn1C1CC1 ZINC000896399336 583799427 /nfs/dbraw/zinc/79/94/27/583799427.db2.gz RVNUVQFMAFMLSE-FOUMNBMASA-N 0 1 231.343 2.352 20 0 BEADMN CCc1ccc(CN2CCO[C@@H](C)CC2)o1 ZINC000896583970 583815194 /nfs/dbraw/zinc/81/51/94/583815194.db2.gz KQTNTLOKZUEQSV-NSHDSACASA-N 0 1 223.316 2.453 20 0 BEADMN C[C@@H]1CCN(Cc2cccc3c2OCO3)CCO1 ZINC000896585541 583815643 /nfs/dbraw/zinc/81/56/43/583815643.db2.gz VBUJPOOXVYJKCU-LLVKDONJSA-N 0 1 249.310 2.026 20 0 BEADMN CC[C@@](C)(CN[C@H](c1ncccn1)C1CC1)OC ZINC000896598237 583816871 /nfs/dbraw/zinc/81/68/71/583816871.db2.gz GBFKASCFKCEUHH-JSGCOSHPSA-N 0 1 249.358 2.332 20 0 BEADMN COC(C)(C)[C@H](C)NCc1cc(F)ncc1F ZINC000896607549 583817399 /nfs/dbraw/zinc/81/73/99/583817399.db2.gz GZAOCEDSLALSBL-QMMMGPOBSA-N 0 1 244.285 2.263 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1cc(F)ncc1F ZINC000896607548 583817426 /nfs/dbraw/zinc/81/74/26/583817426.db2.gz GZAOCEDSLALSBL-MRVPVSSYSA-N 0 1 244.285 2.263 20 0 BEADMN CC(C)C[C@H]1CN(C)CCN1c1nccs1 ZINC000896650435 583820859 /nfs/dbraw/zinc/82/08/59/583820859.db2.gz HQGQNVDYYFBYIZ-NSHDSACASA-N 0 1 239.388 2.310 20 0 BEADMN CC[C@](C)(CN1CCn2cccc2C1)OC ZINC000896761176 583831084 /nfs/dbraw/zinc/83/10/84/583831084.db2.gz KVSYKAUGMWOYBV-CYBMUJFWSA-N 0 1 222.332 2.119 20 0 BEADMN CCC[C@H](CN1CCn2cccc2C1)OC ZINC000896761642 583831420 /nfs/dbraw/zinc/83/14/20/583831420.db2.gz SBPSVGNARDZFBE-CYBMUJFWSA-N 0 1 222.332 2.119 20 0 BEADMN c1cc2n(c1)CCN(CC1CCSCC1)C2 ZINC000896760992 583831670 /nfs/dbraw/zinc/83/16/70/583831670.db2.gz HMZAVZYEOXSHLD-UHFFFAOYSA-N 0 1 236.384 2.447 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)[C@H]1C ZINC000896837769 583838754 /nfs/dbraw/zinc/83/87/54/583838754.db2.gz JNUUEXJIYIHTMC-GRYCIOLGSA-N 0 1 238.375 2.116 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1cn[nH]c1C ZINC000728190928 583850758 /nfs/dbraw/zinc/85/07/58/583850758.db2.gz RLPNGZJMRITDHD-TWGQIWQCSA-N 0 1 221.304 2.081 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1nc(C)c(C)[nH]1 ZINC000896916345 583855034 /nfs/dbraw/zinc/85/50/34/583855034.db2.gz CWHOAKZZCOGXNX-CLFYSBASSA-N 0 1 235.331 2.389 20 0 BEADMN Cc1nnc(CN[C@H]2CCS[C@@H](C)C2)s1 ZINC000896951756 583864118 /nfs/dbraw/zinc/86/41/18/583864118.db2.gz LOQMTIBAYXXGQV-CBAPKCEASA-N 0 1 243.401 2.220 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@H]1CCCc2cccnc21 ZINC000897072336 583878237 /nfs/dbraw/zinc/87/82/37/583878237.db2.gz XYFXKQNDKUIQAU-MFKMUULPSA-N 0 1 248.326 2.000 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897165178 583886780 /nfs/dbraw/zinc/88/67/80/583886780.db2.gz NSAXNBSOCWGQGD-RYUDHWBXSA-N 0 1 240.391 2.410 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)NC3(C)CCC3)c2C1 ZINC000897214972 583895973 /nfs/dbraw/zinc/89/59/73/583895973.db2.gz JACFXDHRMIIQIW-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN c1snnc1CNCC1CCC=CCC1 ZINC000897245185 583900908 /nfs/dbraw/zinc/90/09/08/583900908.db2.gz YAKHFQMQWJSTAZ-UHFFFAOYSA-N 0 1 223.345 2.374 20 0 BEADMN O=C(OCC1CC1)c1cc(-c2ccco2)n[nH]1 ZINC000728766058 583907388 /nfs/dbraw/zinc/90/73/88/583907388.db2.gz HWLUNJCLYUOUTO-UHFFFAOYSA-N 0 1 232.239 2.237 20 0 BEADMN C[C@H]1C[C@@H]1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304322 583912653 /nfs/dbraw/zinc/91/26/53/583912653.db2.gz BGACQHYVCVMGRN-DTWKUNHWSA-N 0 1 241.281 2.459 20 0 BEADMN C[C@@H]1C[C@H]1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304321 583912857 /nfs/dbraw/zinc/91/28/57/583912857.db2.gz BGACQHYVCVMGRN-BDAKNGLRSA-N 0 1 241.281 2.459 20 0 BEADMN Oc1cncc(CNC[C@H]2CC2(Cl)Cl)c1 ZINC000897315738 583919017 /nfs/dbraw/zinc/91/90/17/583919017.db2.gz QGSHRDKSWNPCAQ-MRVPVSSYSA-N 0 1 247.125 2.071 20 0 BEADMN C/C=C\CNCc1c(Cl)nc(Cl)n1C ZINC000858290738 588942355 /nfs/dbraw/zinc/94/23/55/588942355.db2.gz HAQCMZMGFNCCCV-ARJAWSKDSA-N 0 1 234.130 2.393 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cccc(O)c1F ZINC000872082672 583945506 /nfs/dbraw/zinc/94/55/06/583945506.db2.gz ZLYIZBQBHWQAKV-BBBLOLIVSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(O)c1F ZINC000872080957 583945516 /nfs/dbraw/zinc/94/55/16/583945516.db2.gz UWVHEQDIHAMTFA-KKFJDGPESA-N 0 1 239.290 2.095 20 0 BEADMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(O)c1F ZINC000872080959 583945561 /nfs/dbraw/zinc/94/55/61/583945561.db2.gz UWVHEQDIHAMTFA-MWODSPESSA-N 0 1 239.290 2.095 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccns2)[nH]n1 ZINC000858317094 588944612 /nfs/dbraw/zinc/94/46/12/588944612.db2.gz HTVZQADHWDUDFL-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1c[nH]c2ccccc12 ZINC000888113220 583962923 /nfs/dbraw/zinc/96/29/23/583962923.db2.gz DCUGQAPESXYHRP-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN c1cc(CNCc2cnn(CC3CCC3)c2)c[nH]1 ZINC000897432276 583973360 /nfs/dbraw/zinc/97/33/60/583973360.db2.gz IJTPLSWYPOJBQL-UHFFFAOYSA-N 0 1 244.342 2.301 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000897639443 584034600 /nfs/dbraw/zinc/03/46/00/584034600.db2.gz DSMVYCFUUCYNJF-YGOYTEALSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@@H]1CN(Cc2cscc2Cl)C[C@@H]1O ZINC000897681133 584039614 /nfs/dbraw/zinc/03/96/14/584039614.db2.gz PJTGSYBTVJDOEB-XCBNKYQSSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@@H]1O ZINC000897683215 584040259 /nfs/dbraw/zinc/04/02/59/584040259.db2.gz AXSJMQMNAGQOBY-NHYWBVRUSA-N 0 1 242.322 2.047 20 0 BEADMN Cc1c[nH]c(CN[C@H]2CCOC23CCCCC3)n1 ZINC000897727338 584042788 /nfs/dbraw/zinc/04/27/88/584042788.db2.gz KTDXQEKFIKLUIC-LBPRGKRZSA-N 0 1 249.358 2.300 20 0 BEADMN Cc1noc(C2(NC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)n1 ZINC000897895975 584058397 /nfs/dbraw/zinc/05/83/97/584058397.db2.gz MCIIGAGEFDZTLW-GRYCIOLGSA-N 0 1 247.342 2.393 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897908044 584059967 /nfs/dbraw/zinc/05/99/67/584059967.db2.gz FMWZQLAWTKMROZ-NEPJUHHUSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@H]3CCC[C@@H]32)s1 ZINC000897957600 584065715 /nfs/dbraw/zinc/06/57/15/584065715.db2.gz CPOWQZCESZHLMF-KXUCPTDWSA-N 0 1 223.345 2.125 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)s1 ZINC000897957599 584065805 /nfs/dbraw/zinc/06/58/05/584065805.db2.gz CPOWQZCESZHLMF-IVZWLZJFSA-N 0 1 223.345 2.125 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897959855 584067370 /nfs/dbraw/zinc/06/73/70/584067370.db2.gz WZHUURCJDWMRTO-IJLUTSLNSA-N 0 1 234.347 2.137 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCCC(C)(C)O1 ZINC000898047411 584073485 /nfs/dbraw/zinc/07/34/85/584073485.db2.gz ZMSQRVADIMNJKM-LLVKDONJSA-N 0 1 238.331 2.420 20 0 BEADMN COc1nn(C)cc1CN[C@@H](C)c1ccccc1 ZINC000898029025 584076459 /nfs/dbraw/zinc/07/64/59/584076459.db2.gz CSOUDQHKMCPVAV-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN Cc1cnc(CNC[C@]23C[C@H]2COC32CCC2)o1 ZINC000898064578 584081281 /nfs/dbraw/zinc/08/12/81/584081281.db2.gz JDWRMKROEXEXTL-WCQYABFASA-N 0 1 248.326 2.032 20 0 BEADMN c1cc(CC2CN(CC3=CCCOC3)C2)co1 ZINC000898160765 584088195 /nfs/dbraw/zinc/08/81/95/584088195.db2.gz SPCWAJIRYOFYQJ-UHFFFAOYSA-N 0 1 233.311 2.101 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1ncc[nH]1)OCC ZINC000858451045 588955881 /nfs/dbraw/zinc/95/58/81/588955881.db2.gz MTLNGOMGPBLPRJ-MNOVXSKESA-N 0 1 225.336 2.266 20 0 BEADMN O[C@H]1CCN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC000898192857 584095699 /nfs/dbraw/zinc/09/56/99/584095699.db2.gz MGMNIHDMWJSWEI-STQMWFEESA-N 0 1 248.301 2.073 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(C(C)(C)C)co1 ZINC000898300656 584108524 /nfs/dbraw/zinc/10/85/24/584108524.db2.gz ANRHMGNLLYZBPT-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1c1nc(Cl)cs1 ZINC000858466045 588957567 /nfs/dbraw/zinc/95/75/67/588957567.db2.gz UPMLSDDICOXHEP-JGVFFNPUSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@@H]1[C@H](C)N(c2nc(Cl)cs2)CCN1C ZINC000858466046 588957639 /nfs/dbraw/zinc/95/76/39/588957639.db2.gz UPMLSDDICOXHEP-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)C[C@@H](C)O1 ZINC000120932467 584115723 /nfs/dbraw/zinc/11/57/23/584115723.db2.gz NOKWYJFVQQSXGW-GHMZBOCLSA-N 0 1 225.357 2.400 20 0 BEADMN CS[C@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000866487640 584119935 /nfs/dbraw/zinc/11/99/35/584119935.db2.gz DEJYNNVNWPHGPC-NAKRPEOUSA-N 0 1 237.372 2.373 20 0 BEADMN COC(=O)C1=CC[C@@H](N[C@H](C)c2ccco2)C1 ZINC000858474569 588958295 /nfs/dbraw/zinc/95/82/95/588958295.db2.gz BNTZZDYTLVJBCG-MWLCHTKSSA-N 0 1 235.283 2.192 20 0 BEADMN CC(C)Cn1nccc1CNC/C=C\Cl ZINC000898428072 584132795 /nfs/dbraw/zinc/13/27/95/584132795.db2.gz GUQSIYIDDJAXOG-HYXAFXHYSA-N 0 1 227.739 2.381 20 0 BEADMN Cc1cc(F)ncc1CNC/C=C\Cl ZINC000898428930 584133295 /nfs/dbraw/zinc/13/32/95/584133295.db2.gz PWMZKWUOYRHXTL-IHWYPQMZSA-N 0 1 214.671 2.371 20 0 BEADMN C[C@H](O)c1ncc(CNC/C=C/Cl)s1 ZINC000898434066 584135075 /nfs/dbraw/zinc/13/50/75/584135075.db2.gz SJFXNTIPUJTPNM-AIYRYJHASA-N 0 1 232.736 2.039 20 0 BEADMN CC(=O)Nc1ccccc1CNC/C=C/Cl ZINC000898435081 584135750 /nfs/dbraw/zinc/13/57/50/584135750.db2.gz DIFJQJZDLDQYCC-QPJJXVBHSA-N 0 1 238.718 2.487 20 0 BEADMN CCC1(C(=O)NOc2ccc(F)cc2)CC1 ZINC000898572859 584142326 /nfs/dbraw/zinc/14/23/26/584142326.db2.gz DITUAOWVGGAREL-UHFFFAOYSA-N 0 1 223.247 2.426 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CC(N2CCCC2)C1 ZINC000898598677 584144457 /nfs/dbraw/zinc/14/44/57/584144457.db2.gz UAASDOSNNJGKBI-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC(CC)CC(=O)N1CC(N2CCCC2)C1 ZINC000898609837 584146305 /nfs/dbraw/zinc/14/63/05/584146305.db2.gz PRCAEJBMGYOIQN-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000898788492 584159550 /nfs/dbraw/zinc/15/95/50/584159550.db2.gz QNKIEWNLLSBXDK-RYUDHWBXSA-N 0 1 238.375 2.164 20 0 BEADMN CCCCCC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899101145 584176161 /nfs/dbraw/zinc/17/61/61/584176161.db2.gz HSNIPZHMZRDUJG-JTQLQIEISA-N 0 1 236.319 2.049 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1-c1ccncc1F ZINC000899355675 584201867 /nfs/dbraw/zinc/20/18/67/584201867.db2.gz CDZJUCKQOXUNMO-UHFFFAOYSA-N 0 1 233.246 2.114 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccc(F)c(F)c1 ZINC000899359874 584206601 /nfs/dbraw/zinc/20/66/01/584206601.db2.gz BREDCLNXPYPRLF-MRVPVSSYSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1ccc(F)c(F)c1)CCC2 ZINC000899359874 584206603 /nfs/dbraw/zinc/20/66/03/584206603.db2.gz BREDCLNXPYPRLF-MRVPVSSYSA-N 0 1 236.221 2.468 20 0 BEADMN CCn1cc(CN(C)[C@H]2CCC(C)(C)C2)nn1 ZINC000899467462 584217358 /nfs/dbraw/zinc/21/73/58/584217358.db2.gz XBWKIQJFGBYGPF-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN c1c([C@@H]2CCCCN2)nnn1C1CCCC1 ZINC000899725755 584229721 /nfs/dbraw/zinc/22/97/21/584229721.db2.gz ZUHMSGRCRWOPPQ-NSHDSACASA-N 0 1 220.320 2.208 20 0 BEADMN CCNCc1cn(CC2CCC=CCC2)nn1 ZINC000899740572 584233817 /nfs/dbraw/zinc/23/38/17/584233817.db2.gz ILMDYUUDBFASJZ-UHFFFAOYSA-N 0 1 234.347 2.134 20 0 BEADMN O=C(NC1CCC=CCC1)[C@H]1CCCN1C1CC1 ZINC000899805135 584238190 /nfs/dbraw/zinc/23/81/90/584238190.db2.gz PLZKFJNZUGUHRK-CQSZACIVSA-N 0 1 248.370 2.228 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(C2CC2)CCC1 ZINC000899823143 584240176 /nfs/dbraw/zinc/24/01/76/584240176.db2.gz WWDIJHAZHZKVPH-SNVBAGLBSA-N 0 1 247.342 2.037 20 0 BEADMN CC1(CCc2nc(C3(N)CCC3)no2)CC1 ZINC000900008873 584264737 /nfs/dbraw/zinc/26/47/37/584264737.db2.gz QFGBAXNKSWWWRM-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN C[C@@]1(c2nc(C3(N)CCC3)no2)C=CCC1 ZINC000900008262 584265067 /nfs/dbraw/zinc/26/50/67/584265067.db2.gz BXSAWIYFCMQTAJ-LLVKDONJSA-N 0 1 219.288 2.015 20 0 BEADMN C1CN[C@H](c2noc([C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)C1 ZINC000900010400 584265354 /nfs/dbraw/zinc/26/53/54/584265354.db2.gz QXOMHQDBRMMUML-IWTNGPMKSA-N 0 1 245.326 2.254 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC000900096767 584273456 /nfs/dbraw/zinc/27/34/56/584273456.db2.gz ORAWCCFGWMHWJW-SECBINFHSA-N 0 1 241.310 2.493 20 0 BEADMN CCCCC[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900111513 584276718 /nfs/dbraw/zinc/27/67/18/584276718.db2.gz YADFUXXEKLGNCK-SNVBAGLBSA-N 0 1 223.320 2.037 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)Cc1cnc[nH]1 ZINC000900111393 584276756 /nfs/dbraw/zinc/27/67/56/584276756.db2.gz UMGVFFPCGCNTSH-LLVKDONJSA-N 0 1 237.347 2.285 20 0 BEADMN C/C(=C(\F)C(=O)Nc1cn[nH]c1)C1CC1 ZINC000900188999 584284880 /nfs/dbraw/zinc/28/48/80/584284880.db2.gz ZUAUMRBNVMIZGC-RMKNXTFCSA-N 0 1 209.224 2.002 20 0 BEADMN CCC(CC)CN(CC)C(=O)Cc1c[nH]cn1 ZINC000900201366 584286918 /nfs/dbraw/zinc/28/69/18/584286918.db2.gz YTQLURHEZIYZAM-UHFFFAOYSA-N 0 1 237.347 2.237 20 0 BEADMN C[C@H]1CN(C(=O)Cc2cnc[nH]2)c2ccccc21 ZINC000900218990 584287144 /nfs/dbraw/zinc/28/71/44/584287144.db2.gz PLUNAGYXNLXTAI-JTQLQIEISA-N 0 1 241.294 2.103 20 0 BEADMN CN(CC(=O)NC1(C)CCCCC1)C1CCC1 ZINC000900322682 584294861 /nfs/dbraw/zinc/29/48/61/584294861.db2.gz GZRKTXSJKYEVNN-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN CC1(NC(=O)c2cncc3nc[nH]c32)CCCC1 ZINC000900377708 584299256 /nfs/dbraw/zinc/29/92/56/584299256.db2.gz BNXURAKFZJPALS-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN CC(C)CN(C(=O)Cc1c[nH]cn1)C1CCCC1 ZINC000900421088 584306986 /nfs/dbraw/zinc/30/69/86/584306986.db2.gz GBGMHVFUUHRJCP-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)(C)[C@H]1CCCN([C@@H]2CCOC2=O)CC1 ZINC000116309359 588975442 /nfs/dbraw/zinc/97/54/42/588975442.db2.gz OPPUDFMYXZVBDX-NWDGAFQWSA-N 0 1 239.359 2.450 20 0 BEADMN CCC(C)(C)N(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000900759336 584346060 /nfs/dbraw/zinc/34/60/60/584346060.db2.gz WAOSFCWJUDSVHI-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NC(=O)c1[nH]ncc1F ZINC000900738364 584347382 /nfs/dbraw/zinc/34/73/82/584347382.db2.gz FQMDYJGRACUTBU-YUMQZZPRSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000900771787 584349081 /nfs/dbraw/zinc/34/90/81/584349081.db2.gz DFSCOIFZNFUKDV-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC1(C)C ZINC000900787565 584351422 /nfs/dbraw/zinc/35/14/22/584351422.db2.gz NXVQXZWHRYCBCZ-SKDRFNHKSA-N 0 1 247.342 2.087 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000900836529 584359174 /nfs/dbraw/zinc/35/91/74/584359174.db2.gz ORWGTQOUHPRCCM-STQMWFEESA-N 0 1 247.342 2.037 20 0 BEADMN CC(C)(C)c1cc[nH+]c(N2CCC[C@@H]2C(=O)[O-])c1 ZINC000900941115 584368256 /nfs/dbraw/zinc/36/82/56/584368256.db2.gz ONARQOQWXRUCFW-LLVKDONJSA-N 0 1 248.326 2.433 20 0 BEADMN CC[C@H](CNc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000900976838 584370328 /nfs/dbraw/zinc/37/03/28/584370328.db2.gz QIYLUWSDGNVLAK-SECBINFHSA-N 0 1 247.298 2.096 20 0 BEADMN CC(C)C[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000116388763 588979109 /nfs/dbraw/zinc/97/91/09/588979109.db2.gz ZOMISXKBXNJFAT-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)c1cccnc1NC(=O)Cc1cnc[nH]1 ZINC000901185013 584392907 /nfs/dbraw/zinc/39/29/07/584392907.db2.gz HEMGGLWMEKPOKE-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CC(C)(C)C1=CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000901230378 584403555 /nfs/dbraw/zinc/40/35/55/584403555.db2.gz VUNBCDRKTKFIQV-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCCC12CCCCC2 ZINC000901237947 584405699 /nfs/dbraw/zinc/40/56/99/584405699.db2.gz ULEMHKRPKFDNDJ-UHFFFAOYSA-N 0 1 247.342 2.278 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1C(C)=CCC[C@H]1C ZINC000901426269 584442448 /nfs/dbraw/zinc/44/24/48/584442448.db2.gz FYDZZARTWBENGX-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](C/C=C\c1ccc(F)cc1)CC(=O)[O-] ZINC000901426366 584442656 /nfs/dbraw/zinc/44/26/56/584442656.db2.gz HKICMYTZKXXCQU-ARJAWSKDSA-N 0 1 237.274 2.245 20 0 BEADMN C[C@@H](C1CCSCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901451645 584443490 /nfs/dbraw/zinc/44/34/90/584443490.db2.gz DOZPPAHUOMMHSF-GXSJLCMTSA-N 0 1 243.372 2.067 20 0 BEADMN COC/C(C)=C\CSc1nc(C2CC2)n[nH]1 ZINC000901445311 584446778 /nfs/dbraw/zinc/44/67/78/584446778.db2.gz AACZLHDWIFKZMQ-YVMONPNESA-N 0 1 239.344 2.367 20 0 BEADMN COC/C(C)=C\CSc1n[nH]c(C2CC2)n1 ZINC000901445311 584446781 /nfs/dbraw/zinc/44/67/81/584446781.db2.gz AACZLHDWIFKZMQ-YVMONPNESA-N 0 1 239.344 2.367 20 0 BEADMN Cc1scc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1C ZINC000901491400 584452900 /nfs/dbraw/zinc/45/29/00/584452900.db2.gz QVHOPXUJPLAFGN-SNVBAGLBSA-N 0 1 239.340 2.271 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)s1 ZINC000901512843 584461181 /nfs/dbraw/zinc/46/11/81/584461181.db2.gz BUUXVPGDKUTYPY-LLVKDONJSA-N 0 1 243.303 2.055 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccc2cc[nH]c21)C(=O)[O-] ZINC000901596588 584467535 /nfs/dbraw/zinc/46/75/35/584467535.db2.gz ADOCEZBXZNUDKY-SNVBAGLBSA-N 0 1 246.310 2.320 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(C)oc1C ZINC000901604882 584468824 /nfs/dbraw/zinc/46/88/24/584468824.db2.gz AFWFNDBPCVVLGM-UHFFFAOYSA-N 0 1 225.288 2.193 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901677211 584476668 /nfs/dbraw/zinc/47/66/68/584476668.db2.gz SSZOTPODXKYOHR-QMTHXVAHSA-N 0 1 245.322 2.399 20 0 BEADMN COC[C@@H](SCc1c[nH]nn1)c1ccccc1 ZINC000901665875 584476895 /nfs/dbraw/zinc/47/68/95/584476895.db2.gz ZAZSYLVTQBQDOM-GFCCVEGCSA-N 0 1 249.339 2.426 20 0 BEADMN FC1(F)CCC(SCc2nn[nH]n2)CC1 ZINC000901736657 584488806 /nfs/dbraw/zinc/48/88/06/584488806.db2.gz IPIAJHHXPCFOOK-UHFFFAOYSA-N 0 1 234.275 2.011 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000901913623 584503243 /nfs/dbraw/zinc/50/32/43/584503243.db2.gz CCAGMOWZEWUWCL-MFKMUULPSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1cc(C)cc(CC[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000901979586 584511294 /nfs/dbraw/zinc/51/12/94/584511294.db2.gz CBKGTJGDHVRLMO-GFCCVEGCSA-N 0 1 235.327 2.251 20 0 BEADMN CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@H](C)C(=O)[O-])C1 ZINC000901980115 584511604 /nfs/dbraw/zinc/51/16/04/584511604.db2.gz PMANARAYNPYRRA-WCQGTBRESA-N 0 1 225.332 2.384 20 0 BEADMN Cc1occc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000902017764 584513723 /nfs/dbraw/zinc/51/37/23/584513723.db2.gz QSAIVEQKVBAAFY-JOYOIKCWSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2O)[C@@H](C(=O)[O-])C1 ZINC000902018903 584513912 /nfs/dbraw/zinc/51/39/12/584513912.db2.gz VLZCEUFDAMJPFU-CMPLNLGQSA-N 0 1 249.310 2.077 20 0 BEADMN CN(CCC1CCCCC1)CN1CCOC1=O ZINC000902107129 584524014 /nfs/dbraw/zinc/52/40/14/584524014.db2.gz ALLNSNGUFVXCCV-UHFFFAOYSA-N 0 1 240.347 2.298 20 0 BEADMN CCCOC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000859010206 588990707 /nfs/dbraw/zinc/99/07/07/588990707.db2.gz CYHBPUYESDNVQI-NWDGAFQWSA-N 0 1 242.363 2.338 20 0 BEADMN CCn1ccnc1NCc1cnn(C2CCC2)c1 ZINC000902113259 584526708 /nfs/dbraw/zinc/52/67/08/584526708.db2.gz BPLQGRCCCFMRBF-UHFFFAOYSA-N 0 1 245.330 2.437 20 0 BEADMN CCn1ccnc1NCc1ccnn1C1CCC1 ZINC000902114051 584526956 /nfs/dbraw/zinc/52/69/56/584526956.db2.gz JYYBAAQMAJKXEZ-UHFFFAOYSA-N 0 1 245.330 2.437 20 0 BEADMN C[C@H]1C[C@H](C)N(CN2Cc3ccccc3C2=O)C1 ZINC000902156441 584532170 /nfs/dbraw/zinc/53/21/70/584532170.db2.gz JSRUDLSCLBPGSN-RYUDHWBXSA-N 0 1 244.338 2.330 20 0 BEADMN O=C1OCCN1CN1CCC2(C1)CCCCC2 ZINC000902157988 584532382 /nfs/dbraw/zinc/53/23/82/584532382.db2.gz QQCWPGNGKCMQBZ-UHFFFAOYSA-N 0 1 238.331 2.052 20 0 BEADMN C[C@H]1CN(CN2Cc3ccccc3C2=O)C[C@H]1C ZINC000902165520 584533536 /nfs/dbraw/zinc/53/35/36/584533536.db2.gz DHGSICYMVNRAQP-TXEJJXNPSA-N 0 1 244.338 2.188 20 0 BEADMN C[C@@H]1CCC[N@H+]1CN1Cc2ccccc2C1=O ZINC000902167784 584534776 /nfs/dbraw/zinc/53/47/76/584534776.db2.gz XGZSHZXJUZYQLU-LLVKDONJSA-N 0 1 230.311 2.084 20 0 BEADMN C[C@@H]1CCCN1CN1Cc2ccccc2C1=O ZINC000902167784 584534778 /nfs/dbraw/zinc/53/47/78/584534778.db2.gz XGZSHZXJUZYQLU-LLVKDONJSA-N 0 1 230.311 2.084 20 0 BEADMN CCC(N)=NOCc1cccc(OC)c1C ZINC000902220601 584540601 /nfs/dbraw/zinc/54/06/01/584540601.db2.gz YMJDXRCTEFWLDG-UHFFFAOYSA-N 0 1 222.288 2.412 20 0 BEADMN CC(C)C1(C)CCN(CN2CCOC2=O)CC1 ZINC000902229264 584542025 /nfs/dbraw/zinc/54/20/25/584542025.db2.gz QGSTUXRQKNIQIY-UHFFFAOYSA-N 0 1 240.347 2.154 20 0 BEADMN CCCC[C@@H](COC)NCc1cn(CC)cn1 ZINC000902257513 584544879 /nfs/dbraw/zinc/54/48/79/584544879.db2.gz YNTKREDJPGEIEQ-LBPRGKRZSA-N 0 1 239.363 2.198 20 0 BEADMN Cc1[nH]ncc1CNc1noc2c1CCCC2 ZINC000902284708 584547765 /nfs/dbraw/zinc/54/77/65/584547765.db2.gz BJKXPCJGXCSHQT-UHFFFAOYSA-N 0 1 232.287 2.197 20 0 BEADMN Cc1cn[nH]c1CSCc1ccon1 ZINC000902330520 584562205 /nfs/dbraw/zinc/56/22/05/584562205.db2.gz TZNWDNJNDJURIN-UHFFFAOYSA-N 0 1 209.274 2.140 20 0 BEADMN CC[C@H](CSCc1[nH]ncc1C)OC ZINC000902408535 584575271 /nfs/dbraw/zinc/57/52/71/584575271.db2.gz FPZXDJVBUJLMOA-SECBINFHSA-N 0 1 214.334 2.376 20 0 BEADMN CN(Cc1cc(Cl)n(C)n1)C1CCCC1 ZINC000859059822 588995359 /nfs/dbraw/zinc/99/53/59/588995359.db2.gz LXAXDLHQYLNCHO-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN C[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859062662 588995939 /nfs/dbraw/zinc/99/59/39/588995939.db2.gz BBUQPMLQXPFMDM-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1cn[nH]c1CSCc1cc(C)ncn1 ZINC000902396495 584585552 /nfs/dbraw/zinc/58/55/52/584585552.db2.gz PWBMTBLPYVNNEM-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN Cc1cn[nH]c1CSCCO[C@@H]1CC1(F)F ZINC000902421636 584592339 /nfs/dbraw/zinc/59/23/39/584592339.db2.gz HPYCAAQFRZMZFB-SECBINFHSA-N 0 1 248.298 2.376 20 0 BEADMN CCOC1CCN(Cc2ccnc(F)c2)CC1 ZINC000859089011 588999789 /nfs/dbraw/zinc/99/97/89/588999789.db2.gz GULQERAYGQLXDF-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CCCC[C@H](COC)NCc1csc(N)n1 ZINC000902492296 584618031 /nfs/dbraw/zinc/61/80/31/584618031.db2.gz XNZFQMVHANMOEE-SECBINFHSA-N 0 1 243.376 2.020 20 0 BEADMN CCc1oc(C[N@@H+](C)C(C)C)cc1C(=O)[O-] ZINC000902507857 584621907 /nfs/dbraw/zinc/62/19/07/584621907.db2.gz QMYJTNIJWWJAIY-UHFFFAOYSA-N 0 1 225.288 2.380 20 0 BEADMN CCOC[C@@H](NCc1cn(CC)cn1)C(C)C ZINC000902522357 584632292 /nfs/dbraw/zinc/63/22/92/584632292.db2.gz BTQCRKSNNYGAAZ-CYBMUJFWSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1cnc(CN[C@H]2CC23CCCC3)c1 ZINC000902528096 584632522 /nfs/dbraw/zinc/63/25/22/584632522.db2.gz JONPLHILNGMRCL-LBPRGKRZSA-N 0 1 219.332 2.325 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1cn(CC)cn1)OC ZINC000902577970 584637672 /nfs/dbraw/zinc/63/76/72/584637672.db2.gz KIRGGHVZZWSILN-WCQYABFASA-N 0 1 239.363 2.054 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1cn(CC)cn1)OC ZINC000902577969 584637825 /nfs/dbraw/zinc/63/78/25/584637825.db2.gz KIRGGHVZZWSILN-DGCLKSJQSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1cnc(CNC[C@@H](CC(C)C)OC)c1 ZINC000902599778 584640540 /nfs/dbraw/zinc/64/05/40/584640540.db2.gz JTWYGOXGRDQEFM-CYBMUJFWSA-N 0 1 239.363 2.054 20 0 BEADMN CCn1cnc(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000902659815 584650854 /nfs/dbraw/zinc/65/08/54/584650854.db2.gz UKWMRJRDGCTGBP-ZDUSSCGKSA-N 0 1 249.358 2.094 20 0 BEADMN CCc1onc(C)c1CON=C(N)C(C)C ZINC000902727057 584661172 /nfs/dbraw/zinc/66/11/72/584661172.db2.gz IKUSJWNDLINQQG-UHFFFAOYSA-N 0 1 225.292 2.200 20 0 BEADMN F[C@@H]1CCCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000902991336 584710156 /nfs/dbraw/zinc/71/01/56/584710156.db2.gz ORSJTAITGJFJPK-UPJWGTAASA-N 0 1 227.323 2.378 20 0 BEADMN Cc1cnccc1CCN1CCC[C@@H](F)C1 ZINC000902992276 584710580 /nfs/dbraw/zinc/71/05/80/584710580.db2.gz INEGMVPWADHVIN-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN CC(C)COCCN1CCC[C@@H](F)C1 ZINC000902994717 584712211 /nfs/dbraw/zinc/71/22/11/584712211.db2.gz HSROYXZRDDHCQK-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN Cc1nonc1CNC1C[C@H]2CCC[C@@H]2C1 ZINC000903089727 584725836 /nfs/dbraw/zinc/72/58/36/584725836.db2.gz ZZTHTOHPIKLPPD-NXEZZACHSA-N 0 1 221.304 2.046 20 0 BEADMN C[C@H](N[C@@H]1CCCc2cn[nH]c21)C(F)F ZINC000903094970 584729193 /nfs/dbraw/zinc/72/91/93/584729193.db2.gz QVVFQZZKQDAPIH-POYBYMJQSA-N 0 1 215.247 2.030 20 0 BEADMN CC(=O)OCc1cccc([C@H](C)NCCF)c1 ZINC000903166287 584732183 /nfs/dbraw/zinc/73/21/83/584732183.db2.gz BBACMOZFRFDOMC-JTQLQIEISA-N 0 1 239.290 2.370 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@H]1CCOC13CCCC3)CC2 ZINC000903178634 584733066 /nfs/dbraw/zinc/73/30/66/584733066.db2.gz XVMCFSURFYBKIS-RYUDHWBXSA-N 0 1 247.342 2.019 20 0 BEADMN CCCc1ncc(CN[C@H]2CCC[C@H]2OC)o1 ZINC000903185606 584733745 /nfs/dbraw/zinc/73/37/45/584733745.db2.gz FQUBBMPTOSKKBV-NWDGAFQWSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1ncc[nH]1 ZINC000903254168 584739569 /nfs/dbraw/zinc/73/95/69/584739569.db2.gz TVWHVMAEPPBTQN-ZMLRMANQSA-N 0 1 235.331 2.018 20 0 BEADMN C[C@@H](NCC[C@@H]1CCCC[C@@H]1O)c1ncco1 ZINC000903262029 584740629 /nfs/dbraw/zinc/74/06/29/584740629.db2.gz BLORPZRIOXKVJH-WOPDTQHZSA-N 0 1 238.331 2.266 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1nccn1C ZINC000903266511 584741677 /nfs/dbraw/zinc/74/16/77/584741677.db2.gz XOYAEXWHWQZMIT-XQQFMLRXSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H](N[C@@H](CCO)C1CCCC1)c1ncco1 ZINC000903295781 584743285 /nfs/dbraw/zinc/74/32/85/584743285.db2.gz APQPPMCACCRMEY-PWSUYJOCSA-N 0 1 238.331 2.266 20 0 BEADMN CCCCC1(N[C@H](C)c2cnn(C)n2)CC1 ZINC000903313191 584748579 /nfs/dbraw/zinc/74/85/79/584748579.db2.gz KFLNLIHCXJBDNR-SNVBAGLBSA-N 0 1 222.336 2.189 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903316852 584750207 /nfs/dbraw/zinc/75/02/07/584750207.db2.gz KDZWCYNLFKMOBC-CPOMMVLXSA-N 0 1 221.304 2.217 20 0 BEADMN c1cnc([C@H](N[C@@H]2CCSC2)C2CC2)nc1 ZINC000903333863 584751058 /nfs/dbraw/zinc/75/10/58/584751058.db2.gz ULSNUGQJVBRQBH-GHMZBOCLSA-N 0 1 235.356 2.023 20 0 BEADMN COC[C@H](N[C@H](c1ncccn1)C1CC1)C(C)C ZINC000903326374 584753657 /nfs/dbraw/zinc/75/36/57/584753657.db2.gz LCIFWXZQMQNDOR-STQMWFEESA-N 0 1 249.358 2.188 20 0 BEADMN COC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000903331424 584754355 /nfs/dbraw/zinc/75/43/55/584754355.db2.gz NIDHDXLGGSCPNV-NXEZZACHSA-N 0 1 226.320 2.447 20 0 BEADMN C[C@@H]1COC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000903393800 584756746 /nfs/dbraw/zinc/75/67/46/584756746.db2.gz TWFPKQGIGQKXLG-OPRDCNLKSA-N 0 1 238.356 2.145 20 0 BEADMN Cc1nc([C@H](C)NCC[C@@H](O)C2CC2)cs1 ZINC000903404926 584758150 /nfs/dbraw/zinc/75/81/50/584758150.db2.gz ARHNZCOHKSRLOI-QPUJVOFHSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)C(C)(C)O ZINC000903391066 584758407 /nfs/dbraw/zinc/75/84/07/584758407.db2.gz PVVOOSAYPVJJJQ-WCBMZHEXSA-N 0 1 238.331 2.109 20 0 BEADMN C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000903421212 584763736 /nfs/dbraw/zinc/76/37/36/584763736.db2.gz UIOZYKSEZWSTHG-YPMHNXCESA-N 0 1 233.311 2.339 20 0 BEADMN Cl/C=C\CN[C@H]1CCCc2n[nH]cc21 ZINC000903444133 584768939 /nfs/dbraw/zinc/76/89/39/584768939.db2.gz NFEJTKYEGBQVGL-ANTNXHBISA-N 0 1 211.696 2.129 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2NC/C=C\Cl ZINC000903444632 584769272 /nfs/dbraw/zinc/76/92/72/584769272.db2.gz PQNFVVYQTKAYBR-XICOKMJESA-N 0 1 225.723 2.140 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000903607579 584784480 /nfs/dbraw/zinc/78/44/80/584784480.db2.gz KLXJYOHNGNHLCK-RVMXOQNASA-N 0 1 237.343 2.384 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000903607578 584784539 /nfs/dbraw/zinc/78/45/39/584784539.db2.gz KLXJYOHNGNHLCK-NDBYEHHHSA-N 0 1 237.343 2.384 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000903605878 584784640 /nfs/dbraw/zinc/78/46/40/584784640.db2.gz DHMKXLPJTFFORN-DCAQKATOSA-N 0 1 227.348 2.464 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000903608033 584784724 /nfs/dbraw/zinc/78/47/24/584784724.db2.gz WSWLCAMMGXPLQR-MWLCHTKSSA-N 0 1 243.372 2.091 20 0 BEADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])[C@H](C)CC ZINC000903591928 584784848 /nfs/dbraw/zinc/78/48/48/584784848.db2.gz WECPQSRIGSKCLN-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000903591678 584784852 /nfs/dbraw/zinc/78/48/52/584784852.db2.gz RDBPTELHWIVQGL-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN C=C/C=C\CC[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000903608681 584785262 /nfs/dbraw/zinc/78/52/62/584785262.db2.gz ZRUOSTSZMFBLPS-VFFUXOFRSA-N 0 1 235.327 2.448 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000903594081 584785426 /nfs/dbraw/zinc/78/54/26/584785426.db2.gz CLYXTUAYZSAWNJ-AXFHLTTASA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000903596461 584786361 /nfs/dbraw/zinc/78/63/61/584786361.db2.gz UXFPXUZHEOMTLA-MWLCHTKSSA-N 0 1 225.288 2.211 20 0 BEADMN C[C@H](C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903614885 584786524 /nfs/dbraw/zinc/78/65/24/584786524.db2.gz LWCRBSYHGVYPNO-UTLUCORTSA-N 0 1 231.311 2.166 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616471 584786575 /nfs/dbraw/zinc/78/65/75/584786575.db2.gz FALXYVHEYPRVGV-DCAQKATOSA-N 0 1 231.311 2.166 20 0 BEADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CCCF)C2 ZINC000903618936 584787190 /nfs/dbraw/zinc/78/71/90/584787190.db2.gz PDXOUJFCPDOOJL-UHFFFAOYSA-N 0 1 237.274 2.103 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CCCF ZINC000903628434 584787652 /nfs/dbraw/zinc/78/76/52/584787652.db2.gz YSKKOCDNFKKIMK-GFCCVEGCSA-N 0 1 239.290 2.412 20 0 BEADMN CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629392 584787775 /nfs/dbraw/zinc/78/77/75/584787775.db2.gz DSVJRKKJSLSRFL-GKUNOOHESA-N 0 1 225.332 2.385 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCCC23CCC3)CC1 ZINC000903631013 584788297 /nfs/dbraw/zinc/78/82/97/584788297.db2.gz JNSOUKIYABQENY-UHFFFAOYSA-N 0 1 223.316 2.260 20 0 BEADMN C[C@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)C[C@H]1C ZINC000903695910 584790349 /nfs/dbraw/zinc/79/03/49/584790349.db2.gz MNRYBJYQRCJDFK-PHIMTYICSA-N 0 1 225.332 2.219 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC000903702681 584790518 /nfs/dbraw/zinc/79/05/18/584790518.db2.gz FITRWPLHALISHX-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])C1 ZINC000903702871 584790620 /nfs/dbraw/zinc/79/06/20/584790620.db2.gz KOAJFYUEDPJVTB-RSJDFQLWSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])C1 ZINC000903702869 584790759 /nfs/dbraw/zinc/79/07/59/584790759.db2.gz KOAJFYUEDPJVTB-ADPBJBESSA-N 0 1 225.332 2.218 20 0 BEADMN CC1(C)CCN(Cc2ccnc(F)c2)C1 ZINC000859150258 589010101 /nfs/dbraw/zinc/01/01/01/589010101.db2.gz SEKFULXGHNCPGZ-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCC(CC)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903887779 584812946 /nfs/dbraw/zinc/81/29/46/584812946.db2.gz DRHMZLORVMWFIA-JOYOIKCWSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903887829 584813131 /nfs/dbraw/zinc/81/31/31/584813131.db2.gz GHWDIUNEYXNJEX-JSGCOSHPSA-N 0 1 247.338 2.414 20 0 BEADMN O=C([O-])[C@@H](CCc1ccccc1)[N@@H+]1CC=CCC1 ZINC000903887669 584813493 /nfs/dbraw/zinc/81/34/93/584813493.db2.gz ZHCDWBQGRAIIHA-CQSZACIVSA-N 0 1 245.322 2.334 20 0 BEADMN CCC[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893350 584818800 /nfs/dbraw/zinc/81/88/00/584818800.db2.gz BXUVMHXOLQWBPZ-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903886247 584819256 /nfs/dbraw/zinc/81/92/56/584819256.db2.gz CCDBCHJWTADVHU-LPEHRKFASA-N 0 1 213.321 2.074 20 0 BEADMN C[N@H+](Cc1cncc(C(=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000903910631 584821833 /nfs/dbraw/zinc/82/18/33/584821833.db2.gz XXNFFIYDSALKGJ-LBPRGKRZSA-N 0 1 248.326 2.258 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903908736 584822045 /nfs/dbraw/zinc/82/20/45/584822045.db2.gz AQSKEHYFPMSATD-FRRDWIJNSA-N 0 1 237.343 2.219 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)C1 ZINC000903911458 584822304 /nfs/dbraw/zinc/82/23/04/584822304.db2.gz HBRXMFJWQVGNRD-SPGNQXPMSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)C[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921928 584822925 /nfs/dbraw/zinc/82/29/25/584822925.db2.gz QVJJCGCZYLPGLC-UHFFFAOYSA-N 0 1 249.310 2.235 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2[C@H]1C=CCCC1 ZINC000903936409 584825875 /nfs/dbraw/zinc/82/58/75/584825875.db2.gz JHJRFTOUZRIWQB-MDZLAQPJSA-N 0 1 221.300 2.034 20 0 BEADMN C[C@@H]1CSCCC[N@H+]1CCCCCC(=O)[O-] ZINC000903956834 584826767 /nfs/dbraw/zinc/82/67/67/584826767.db2.gz IDWWOVITKIXQQD-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(CC2CC2)no1 ZINC000904088425 584841028 /nfs/dbraw/zinc/84/10/28/584841028.db2.gz YMXUIIDAGHVZHM-JTQLQIEISA-N 0 1 223.320 2.329 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(-c2cocn2)no1 ZINC000904112033 584841439 /nfs/dbraw/zinc/84/14/39/584841439.db2.gz RBNZELAWOQOQPX-QMMMGPOBSA-N 0 1 236.275 2.031 20 0 BEADMN CCc1cc(CNC(=O)/C=C2\CC[C@H](C)C2)n[nH]1 ZINC000753609851 584897298 /nfs/dbraw/zinc/89/72/98/584897298.db2.gz UZKZXFPXADFRPQ-VUBLIPMDSA-N 0 1 247.342 2.335 20 0 BEADMN CC(C(=O)NCc1cc(C)[nH]n1)=C1CCCC1 ZINC000753616573 584897536 /nfs/dbraw/zinc/89/75/36/584897536.db2.gz FXORACDHQMDKSV-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccccc1 ZINC000828594581 584903945 /nfs/dbraw/zinc/90/39/45/584903945.db2.gz DRPSJDOWZKISQB-VXGBXAGGSA-N 0 1 219.284 2.297 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000828594365 584904066 /nfs/dbraw/zinc/90/40/66/584904066.db2.gz AAURJAUYIQDSKX-QWHCGFSZSA-N 0 1 233.311 2.167 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000833381858 584912814 /nfs/dbraw/zinc/91/28/14/584912814.db2.gz FLSOJIOSSOUUHO-YAEJEKNGSA-N 0 1 234.299 2.105 20 0 BEADMN c1cnn(C2CCN(Cc3cccnc3)CC2)c1 ZINC000731355823 584925308 /nfs/dbraw/zinc/92/53/08/584925308.db2.gz YRZUJFSQJDIHKF-UHFFFAOYSA-N 0 1 242.326 2.115 20 0 BEADMN CC[C@H](C)CN(C)CN1CCSC1=O ZINC000732181870 584934202 /nfs/dbraw/zinc/93/42/02/584934202.db2.gz BHERUMQTPPFLHJ-VIFPVBQESA-N 0 1 216.350 2.091 20 0 BEADMN CCc1cc(CNC(=O)c2cccc(C)c2)n[nH]1 ZINC000732800498 584941418 /nfs/dbraw/zinc/94/14/18/584941418.db2.gz QKQLJAIBLMEBBT-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN C[C@H]([N@@H+](C)CN1C[C@@H](C)CC1=O)C(C)(C)C ZINC000733290090 584945975 /nfs/dbraw/zinc/94/59/75/584945975.db2.gz PRQMGXIAQOLJMA-QWRGUYRKSA-N 0 1 226.364 2.179 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000733289681 584946064 /nfs/dbraw/zinc/94/60/64/584946064.db2.gz NZZSONUFDYBGDM-QWHCGFSZSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000733289633 584946217 /nfs/dbraw/zinc/94/62/17/584946217.db2.gz KGSZYBNXAVHIOH-GFCCVEGCSA-N 0 1 238.375 2.321 20 0 BEADMN CC(C)CN(C)CN1C[C@@H](C(C)C)CC1=O ZINC000733294810 584946574 /nfs/dbraw/zinc/94/65/74/584946574.db2.gz ONZIFHVILSVUQE-LBPRGKRZSA-N 0 1 226.364 2.036 20 0 BEADMN C[C@H](CN(C)CN1CCCC1=O)c1ccccc1 ZINC000733298740 584946584 /nfs/dbraw/zinc/94/65/84/584946584.db2.gz XCUPQOMIRROYDE-CYBMUJFWSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@@H](CN(C)CN1CCCC1=O)c1ccccc1 ZINC000733298741 584946612 /nfs/dbraw/zinc/94/66/12/584946612.db2.gz XCUPQOMIRROYDE-ZDUSSCGKSA-N 0 1 246.354 2.302 20 0 BEADMN CCCN(CC)CN1C[C@@H](C(C)C)CC1=O ZINC000733295440 584946619 /nfs/dbraw/zinc/94/66/19/584946619.db2.gz LRPJVEGEPUQWIA-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@H](C)CCC ZINC000741776262 584953269 /nfs/dbraw/zinc/95/32/69/584953269.db2.gz AAKYQCWDRQHIFG-MNOVXSKESA-N 0 1 215.337 2.449 20 0 BEADMN Cc1nonc1CN([C@@H](C)C1CC1)C1CC1 ZINC000734145804 584957344 /nfs/dbraw/zinc/95/73/44/584957344.db2.gz BDNZQLAFNWOKDL-VIFPVBQESA-N 0 1 221.304 2.141 20 0 BEADMN Cc1nonc1CN(C)CC1CCCC1 ZINC000734147563 584957403 /nfs/dbraw/zinc/95/74/03/584957403.db2.gz RVPBGPHHEXLKTG-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN Cc1nonc1CN1CCC[C@H]1C(C)(C)C ZINC000734149014 584957599 /nfs/dbraw/zinc/95/75/99/584957599.db2.gz UDOMLXURDDDLDK-NSHDSACASA-N 0 1 223.320 2.389 20 0 BEADMN CC(C)(NC(=O)CC1=CCCCC1)c1c[nH]nn1 ZINC000734403038 584961406 /nfs/dbraw/zinc/96/14/06/584961406.db2.gz HHYHLGXYNWUSLB-UHFFFAOYSA-N 0 1 248.330 2.047 20 0 BEADMN CC(C)(C)CCCC(=O)OCc1c[nH]nn1 ZINC000734384536 584962040 /nfs/dbraw/zinc/96/20/40/584962040.db2.gz YXSGLAMSULPTNB-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)OCc2c[nH]nn2)C1 ZINC000734518874 584963387 /nfs/dbraw/zinc/96/33/87/584963387.db2.gz NCECVXOEMCTZAI-NXEZZACHSA-N 0 1 237.303 2.064 20 0 BEADMN CCCC[C@H](CC)CC(=O)OCc1c[nH]nn1 ZINC000734567295 584964912 /nfs/dbraw/zinc/96/49/12/584964912.db2.gz FODFMNNEPLOCAS-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CCCC[C@@H](CC)CC(=O)OCc1c[nH]nn1 ZINC000734567297 584964975 /nfs/dbraw/zinc/96/49/75/584964975.db2.gz FODFMNNEPLOCAS-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000736219204 584992270 /nfs/dbraw/zinc/99/22/70/584992270.db2.gz KTSAXESEUWXNMT-UWVGGRQHSA-N 0 1 237.274 2.088 20 0 BEADMN Cc1ccc(CC(=O)NOc2ccccc2)cn1 ZINC000773465661 585022504 /nfs/dbraw/zinc/02/25/04/585022504.db2.gz HYYHZXHVWPIONA-UHFFFAOYSA-N 0 1 242.278 2.043 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCC[C@@H](F)C1 ZINC000824146310 585028729 /nfs/dbraw/zinc/02/87/29/585028729.db2.gz XCOSJGMHSDMMTR-MRVPVSSYSA-N 0 1 241.237 2.105 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H](C)O1 ZINC000885931554 585030738 /nfs/dbraw/zinc/03/07/38/585030738.db2.gz VHKQQJVWBIGSMU-XCCSTKFXSA-N 0 1 239.359 2.053 20 0 BEADMN C[N@@H+](Cc1cccnc1Cl)C(C)(C)C(=O)[O-] ZINC000737494496 585033497 /nfs/dbraw/zinc/03/34/97/585033497.db2.gz REERMOKZSFFATB-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000737575681 585036441 /nfs/dbraw/zinc/03/64/41/585036441.db2.gz BAHRVUBTIAMANH-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000738090315 585040885 /nfs/dbraw/zinc/04/08/85/585040885.db2.gz NWRZVZUVMMNRFJ-GFCCVEGCSA-N 0 1 240.391 2.426 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000738228554 585042037 /nfs/dbraw/zinc/04/20/37/585042037.db2.gz YMSCAWQAKDCOLV-JTQLQIEISA-N 0 1 229.396 2.193 20 0 BEADMN CCn1ncc(CN2CCC[C@H]2CC(C)C)n1 ZINC000838792656 585068322 /nfs/dbraw/zinc/06/83/22/585068322.db2.gz UYZHNKQASZSTGZ-ZDUSSCGKSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000838805186 585069259 /nfs/dbraw/zinc/06/92/59/585069259.db2.gz HDJBEHSUFZLNCZ-DGCLKSJQSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000838805188 585069422 /nfs/dbraw/zinc/06/94/22/585069422.db2.gz HDJBEHSUFZLNCZ-WCQYABFASA-N 0 1 234.347 2.063 20 0 BEADMN CCn1ncc(CN([C@H](C)C(C)C)C2CC2)n1 ZINC000838781626 585069749 /nfs/dbraw/zinc/06/97/49/585069749.db2.gz QPHLJIVJGXFUSA-LLVKDONJSA-N 0 1 236.363 2.307 20 0 BEADMN CC(C)CCCCC(=O)OCCc1c[nH]nn1 ZINC000838811776 585071164 /nfs/dbraw/zinc/07/11/64/585071164.db2.gz WRKADYVCNYEIBH-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CC(C)CCCCC(=O)OCCc1cnn[nH]1 ZINC000838811776 585071165 /nfs/dbraw/zinc/07/11/65/585071165.db2.gz WRKADYVCNYEIBH-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CCn1ncc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000838833462 585073447 /nfs/dbraw/zinc/07/34/47/585073447.db2.gz JRLBRQJCCBAJCF-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN CCn1ncc(CNCCC2=CCCCC2)n1 ZINC000838894284 585078807 /nfs/dbraw/zinc/07/88/07/585078807.db2.gz DQOXGPHNAQXHSB-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN CC[C@@H](C(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000838900315 585079880 /nfs/dbraw/zinc/07/98/80/585079880.db2.gz HSSHMRJXWBVKII-GFCCVEGCSA-N 0 1 245.282 2.042 20 0 BEADMN COCc1cc(CN[C@@H](C)CCSC)no1 ZINC000838962914 585082352 /nfs/dbraw/zinc/08/23/52/585082352.db2.gz UVJGJYFIACSDMJ-VIFPVBQESA-N 0 1 244.360 2.052 20 0 BEADMN CCn1ncc(CN(C)C2(C)CCCC2)n1 ZINC000839065051 585089637 /nfs/dbraw/zinc/08/96/37/585089637.db2.gz VNZDTONKSBHQSZ-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)(C)OC(=O)[C@]1(C)CCN(CCF)C1 ZINC000839104604 585091064 /nfs/dbraw/zinc/09/10/64/585091064.db2.gz LEJNXVDBVXXIJS-GFCCVEGCSA-N 0 1 231.311 2.010 20 0 BEADMN CCn1ncc(CN(C2CCC2)C2CCC2)n1 ZINC000839112263 585091729 /nfs/dbraw/zinc/09/17/29/585091729.db2.gz DNPDAACGQXKIQX-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1cccnc1Cl ZINC000839193319 585097967 /nfs/dbraw/zinc/09/79/67/585097967.db2.gz WXEDXELIRFDDHY-MNOVXSKESA-N 0 1 240.734 2.392 20 0 BEADMN CC(C)COC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741010015 585109135 /nfs/dbraw/zinc/10/91/35/585109135.db2.gz ANCWIIPEHUDJQY-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CCCOC(=O)[C@H](CC)N(CC)CC ZINC000741033639 585109344 /nfs/dbraw/zinc/10/93/44/585109344.db2.gz WZTJKJYLWYEDAJ-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CC[C@H](C(=O)OC/C=C/Cl)N(CC)CC ZINC000741032588 585109382 /nfs/dbraw/zinc/10/93/82/585109382.db2.gz KTGRZDJLGVBBAI-QROSGCPLSA-N 0 1 233.739 2.403 20 0 BEADMN CC[C@@H](C(=O)OCCOC(C)C)N(CC)CC ZINC000741032534 585109469 /nfs/dbraw/zinc/10/94/69/585109469.db2.gz GTTMZYMZBYJUIY-LBPRGKRZSA-N 0 1 245.363 2.075 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@H](C)C2)n[nH]1 ZINC000741689730 585116589 /nfs/dbraw/zinc/11/65/89/585116589.db2.gz FMAXFDNXUFHDTO-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@@H](C)C(C)C ZINC000741778211 585117532 /nfs/dbraw/zinc/11/75/32/585117532.db2.gz BQRVEEWPJSXVBT-QWRGUYRKSA-N 0 1 215.337 2.304 20 0 BEADMN CCCOC(=O)[C@@H](C)[N@@H+](C[C@H](C)OC)C(C)C ZINC000741796722 585119703 /nfs/dbraw/zinc/11/97/03/585119703.db2.gz XFIGYHDVVPDUME-NWDGAFQWSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C[C@H](C)OC)C(C)C ZINC000741796722 585119704 /nfs/dbraw/zinc/11/97/04/585119704.db2.gz XFIGYHDVVPDUME-NWDGAFQWSA-N 0 1 245.363 2.073 20 0 BEADMN CC(=CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000742178991 585122740 /nfs/dbraw/zinc/12/27/40/585122740.db2.gz PSVNSIGUOSTRLS-XFFZJAGNSA-N 0 1 241.294 2.129 20 0 BEADMN Cc1n[nH]cc1CNCc1c(C)cccc1F ZINC000742380544 585125315 /nfs/dbraw/zinc/12/53/15/585125315.db2.gz GJJLTINFNBORRM-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN CCCCC[C@@H](C)CC(=O)NCc1nnc[nH]1 ZINC000742660100 585129763 /nfs/dbraw/zinc/12/97/63/585129763.db2.gz WCEVSAUZKSUNTC-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(CC)CCC)C1 ZINC000743360362 585135945 /nfs/dbraw/zinc/13/59/45/585135945.db2.gz SMNQWTKNARKHSA-GFCCVEGCSA-N 0 1 226.364 2.324 20 0 BEADMN CN(CN1C(=O)CC12CCC2)CC(C)(C)C ZINC000743364439 585135994 /nfs/dbraw/zinc/13/59/94/585135994.db2.gz MHXHILUPIQSRRP-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CCN(Cn1cc[nH]c1=S)C1CCC1 ZINC000743363380 585136228 /nfs/dbraw/zinc/13/62/28/585136228.db2.gz GFDHSOVEGFHTQY-UHFFFAOYSA-N 0 1 211.334 2.004 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)OCCC1CC1 ZINC000744855351 585153896 /nfs/dbraw/zinc/15/38/96/585153896.db2.gz ZHADAYNLSOORDP-UHFFFAOYSA-N 0 1 244.294 2.449 20 0 BEADMN Cc1nc([C@H](C)N(C)OCc2ccccc2)n[nH]1 ZINC000839529632 585161995 /nfs/dbraw/zinc/16/19/95/585161995.db2.gz ZLJGWHRRMAWOOM-JTQLQIEISA-N 0 1 246.314 2.238 20 0 BEADMN CC(C)CN(CC(C)C)Cn1ccsc1=O ZINC000746600452 585170975 /nfs/dbraw/zinc/17/09/75/585170975.db2.gz PARXBBUSZDTFIV-UHFFFAOYSA-N 0 1 242.388 2.481 20 0 BEADMN CCCCN(CC(=O)NC)Cc1ccccc1 ZINC000746650427 585171476 /nfs/dbraw/zinc/17/14/76/585171476.db2.gz FIJZLZLWSQQWPP-UHFFFAOYSA-N 0 1 234.343 2.035 20 0 BEADMN CCCN(CC)CN1CC2(CCCC2)CC1=O ZINC000747455003 585179130 /nfs/dbraw/zinc/17/91/30/585179130.db2.gz XIMKLJVPGZARDW-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCCN(C)CN1CC2(CCCC2)CC1=O ZINC000747454540 585179173 /nfs/dbraw/zinc/17/91/73/585179173.db2.gz PABACRRWTZOBMY-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN C[C@H]1CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000747453157 585179221 /nfs/dbraw/zinc/17/92/21/585179221.db2.gz JFESSMJAKVLREO-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1CC2(CCCC2)CN1CN1C2CCC1CC2 ZINC000747451058 585179259 /nfs/dbraw/zinc/17/92/59/585179259.db2.gz JOVQLPFNLIJFMB-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H](C)C(C)(C)C)c1C ZINC000747518148 585180532 /nfs/dbraw/zinc/18/05/32/585180532.db2.gz KRLZMQSYXWKHPP-MRVPVSSYSA-N 0 1 237.347 2.439 20 0 BEADMN C/C(=C\C(=O)N1CCNC(C)(C)C1)C(C)(C)C ZINC000747921174 585185531 /nfs/dbraw/zinc/18/55/31/585185531.db2.gz NBMSUGZHQPFBEO-PKNBQFBNSA-N 0 1 238.375 2.189 20 0 BEADMN CC1(C)C(=O)N(CN2C3CCC2CC3)C1(C)C ZINC000749165691 585200347 /nfs/dbraw/zinc/20/03/47/585200347.db2.gz KBCRZMKVBIFRIC-UHFFFAOYSA-N 0 1 236.359 2.218 20 0 BEADMN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCF ZINC000749459345 585202291 /nfs/dbraw/zinc/20/22/91/585202291.db2.gz DBOFOFFHCIFNEO-MFKMUULPSA-N 0 1 223.291 2.280 20 0 BEADMN CN(CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CCC1 ZINC000749957729 585208713 /nfs/dbraw/zinc/20/87/13/585208713.db2.gz BFRBIFMUHZVVCW-OLZOCXBDSA-N 0 1 236.359 2.219 20 0 BEADMN CC(C)CN(C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749945927 585208842 /nfs/dbraw/zinc/20/88/42/585208842.db2.gz OECNTDQEVKYEFA-OLZOCXBDSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)[C@H]3CCCCC[C@H]32)C1 ZINC000749949080 585208952 /nfs/dbraw/zinc/20/89/52/585208952.db2.gz VFBPYKQVNNQBGQ-FRRDWIJNSA-N 0 1 236.359 2.077 20 0 BEADMN O=C(CC/C=C\c1ccccc1)Nc1c[nH]nn1 ZINC000789927487 585212722 /nfs/dbraw/zinc/21/27/22/585212722.db2.gz DMGXVNUWLVVSEB-YWEYNIOJSA-N 0 1 242.282 2.237 20 0 BEADMN Clc1cccc(CN2CCc3cn[nH]c3C2)n1 ZINC000750721889 585218908 /nfs/dbraw/zinc/21/89/08/585218908.db2.gz YYSVOEHQBWHVHD-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CC(C)=C(C)C(=O)NCCCc1cn[nH]c1C ZINC000751199859 585224972 /nfs/dbraw/zinc/22/49/72/585224972.db2.gz LMIKMHUHOJRNGW-UHFFFAOYSA-N 0 1 235.331 2.123 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000752074164 585241173 /nfs/dbraw/zinc/24/11/73/585241173.db2.gz CQWVCCPLXKENOO-SRVKXCTJSA-N 0 1 227.348 2.306 20 0 BEADMN CC(=O)CCCOC(=O)c1cccc2[nH]ncc21 ZINC000752202024 585243626 /nfs/dbraw/zinc/24/36/26/585243626.db2.gz LUGGNIRGCDYCNS-UHFFFAOYSA-N 0 1 246.266 2.089 20 0 BEADMN CN(C)c1ccnc(NC(=O)/C=C\C2CC2)c1 ZINC000753005226 585252350 /nfs/dbraw/zinc/25/23/50/585252350.db2.gz JEXQZZCYEUWWCY-WAYWQWQTSA-N 0 1 231.299 2.052 20 0 BEADMN CC[N@@H+](CCC(C)(C)CC)CCS(C)(=O)=O ZINC000753204767 585255355 /nfs/dbraw/zinc/25/53/55/585255355.db2.gz XQPWWMSSXBQKMX-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN CCN(CCC(C)(C)CC)CCS(C)(=O)=O ZINC000753204767 585255356 /nfs/dbraw/zinc/25/53/56/585255356.db2.gz XQPWWMSSXBQKMX-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN CCc1cc(CNC(=O)/C=C2\CC[C@@H](C)C2)n[nH]1 ZINC000753609849 585263965 /nfs/dbraw/zinc/26/39/65/585263965.db2.gz UZKZXFPXADFRPQ-UEUZTHOGSA-N 0 1 247.342 2.335 20 0 BEADMN Cc1cc(CNC(=O)/C=C2/CC[C@@H](C)C2)n[nH]1 ZINC000753616209 585264208 /nfs/dbraw/zinc/26/42/08/585264208.db2.gz FSBYEGNQALMQNA-MDXIRLPMSA-N 0 1 233.315 2.081 20 0 BEADMN CC[C@@H](CO)NCc1cc(-c2ccccc2)on1 ZINC000754245938 585280976 /nfs/dbraw/zinc/28/09/76/585280976.db2.gz GUKNQEROIPFUAF-LBPRGKRZSA-N 0 1 246.310 2.202 20 0 BEADMN CC1CCC(=CC(=O)NCc2cnc[nH]2)CC1 ZINC000754295301 585282401 /nfs/dbraw/zinc/28/24/01/585282401.db2.gz TVLLZHYSFBSCJP-UHFFFAOYSA-N 0 1 233.315 2.162 20 0 BEADMN OC[C@H](C1CC1)N(CCF)Cc1ccccc1 ZINC000755042532 585293807 /nfs/dbraw/zinc/29/38/07/585293807.db2.gz ODDGLLHHJHBUMO-CQSZACIVSA-N 0 1 237.318 2.229 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H](C)C(C)(C)C)[nH]n1 ZINC000755373828 585298630 /nfs/dbraw/zinc/29/86/30/585298630.db2.gz BQUJPULAHBONPI-SECBINFHSA-N 0 1 237.347 2.059 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000755923570 585310802 /nfs/dbraw/zinc/31/08/02/585310802.db2.gz RYYJBLNXVMZVGN-NSHDSACASA-N 0 1 226.364 2.180 20 0 BEADMN CCCCCCN1CCN(C)C(=O)C1(C)C ZINC000756033742 585313212 /nfs/dbraw/zinc/31/32/12/585313212.db2.gz BFDDZXABWMYIPA-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C=C1CCCC1 ZINC000756145217 585314798 /nfs/dbraw/zinc/31/47/98/585314798.db2.gz DEHQGPPGCQWMSB-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000756525764 585320684 /nfs/dbraw/zinc/32/06/84/585320684.db2.gz DIQZGGXUEJBWMY-GFCCVEGCSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@H]1CN(CCF)CCN1Cc1ccccc1 ZINC000839646625 585334935 /nfs/dbraw/zinc/33/49/35/585334935.db2.gz NMPSMAKWOPUPEI-ZDUSSCGKSA-N 0 1 236.334 2.162 20 0 BEADMN Clc1cccc(CSc2c[nH]nn2)n1 ZINC000757745960 585345218 /nfs/dbraw/zinc/34/52/18/585345218.db2.gz NCMLERGXUUQSPA-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757877417 585346401 /nfs/dbraw/zinc/34/64/01/585346401.db2.gz LFUQGZINYWECQN-KXUCPTDWSA-N 0 1 234.299 2.029 20 0 BEADMN O=C(O[C@@H]1C=CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000758131599 585350225 /nfs/dbraw/zinc/35/02/25/585350225.db2.gz FIXCVNJIDZSDGT-GHMZBOCLSA-N 0 1 246.310 2.482 20 0 BEADMN COC(=O)c1ccc(CN(C)C(C)C)c(F)c1 ZINC000759164107 585364547 /nfs/dbraw/zinc/36/45/47/585364547.db2.gz LFGQOONIZFGWRQ-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN CCC(=CC(=O)NCc1cc(C)[nH]n1)CC ZINC000759218076 585365786 /nfs/dbraw/zinc/36/57/86/585365786.db2.gz JEWOUVZZQVNGAA-UHFFFAOYSA-N 0 1 221.304 2.081 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000759210493 585365855 /nfs/dbraw/zinc/36/58/55/585365855.db2.gz QNNNKSGVTVOSLV-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN CCCCCC[C@H](O)CN1CCOC[C@H]1C ZINC000759338520 585368673 /nfs/dbraw/zinc/36/86/73/585368673.db2.gz OGIBJSVHIMYGRW-OLZOCXBDSA-N 0 1 229.364 2.038 20 0 BEADMN OCCCN(CCF)[C@@H]1CCc2ccccc21 ZINC000759343422 585369747 /nfs/dbraw/zinc/36/97/47/585369747.db2.gz VFFVHTLFJGNMKG-CQSZACIVSA-N 0 1 237.318 2.328 20 0 BEADMN O[C@H](C[C@H]1CCCN1CCF)c1ccco1 ZINC000759370098 585371535 /nfs/dbraw/zinc/37/15/35/585371535.db2.gz CPXVZBZROFADAR-GHMZBOCLSA-N 0 1 227.279 2.137 20 0 BEADMN O=C(C=C1CCCC1)Nc1ccc2[nH]nnc2c1 ZINC000760710059 585395727 /nfs/dbraw/zinc/39/57/27/585395727.db2.gz FOHHKVKDHXUZMF-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN COc1ccc2c(c1)CCN(CCF)CC2 ZINC000760925062 585402033 /nfs/dbraw/zinc/40/20/33/585402033.db2.gz IQZPZPJUFQTTJA-UHFFFAOYSA-N 0 1 223.291 2.065 20 0 BEADMN C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc[nH]1 ZINC000760948949 585402347 /nfs/dbraw/zinc/40/23/47/585402347.db2.gz FVOGGUMLUSLAPM-MRVPVSSYSA-N 0 1 248.257 2.350 20 0 BEADMN C[C@H]1CN(Cc2cccc(F)c2F)CCN1C ZINC000761074574 585405375 /nfs/dbraw/zinc/40/53/75/585405375.db2.gz CUVQFCSHWNDOHT-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN O=C(CN1CC[C@@H]2C[C@@H]21)NCCC1=CCCCC1 ZINC000761093525 585408469 /nfs/dbraw/zinc/40/84/69/585408469.db2.gz OFJVSVFCDHMRPW-KGLIPLIRSA-N 0 1 248.370 2.087 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)CC2(C)C)n1 ZINC000761887088 585422602 /nfs/dbraw/zinc/42/26/02/585422602.db2.gz KIPBJPDKZSZKKS-SECBINFHSA-N 0 1 235.331 2.111 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)CC2(C)C)n1 ZINC000761887088 585422603 /nfs/dbraw/zinc/42/26/03/585422603.db2.gz KIPBJPDKZSZKKS-SECBINFHSA-N 0 1 235.331 2.111 20 0 BEADMN CN(CN1C[C@H](C2CC2)CC1=O)CC(C)(C)C ZINC000762497482 585433423 /nfs/dbraw/zinc/43/34/23/585433423.db2.gz UQTFAEMBBVKDCR-GFCCVEGCSA-N 0 1 238.375 2.180 20 0 BEADMN CCc1nc([C@H](C)NC(=O)C=C2CCCC2)n[nH]1 ZINC000763200712 585444506 /nfs/dbraw/zinc/44/45/06/585444506.db2.gz HJJYVRHDIXDMGN-VIFPVBQESA-N 0 1 248.330 2.045 20 0 BEADMN CC[C@H](C(=O)OCC1CC1)N(CC)CC ZINC000763986322 585458240 /nfs/dbraw/zinc/45/82/40/585458240.db2.gz XUARVJDNRYEACQ-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CCC/C(C)=C\C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000764893724 585477300 /nfs/dbraw/zinc/47/73/00/585477300.db2.gz WWBHYEOSNLKZJW-BRNRAETOSA-N 0 1 247.342 2.130 20 0 BEADMN CCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000765737832 585492266 /nfs/dbraw/zinc/49/22/66/585492266.db2.gz IBGMSHBNJNSGJB-MNOVXSKESA-N 0 1 242.363 2.336 20 0 BEADMN CCC/C=C\C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000765934430 585493906 /nfs/dbraw/zinc/49/39/06/585493906.db2.gz DDUWSQQVRPIZRV-MYSQMOAQSA-N 0 1 238.375 2.284 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C(C)=C(C)C)C[C@H]1C ZINC000765929114 585493937 /nfs/dbraw/zinc/49/39/37/585493937.db2.gz KCNZDQOXDFKMPY-VXGBXAGGSA-N 0 1 238.375 2.284 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C=C2CCC2)C[C@@H]1C ZINC000765929382 585494015 /nfs/dbraw/zinc/49/40/15/585494015.db2.gz LWLZAWSOXPCGLK-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C=C2CCC2)C[C@H]1C ZINC000765930019 585494086 /nfs/dbraw/zinc/49/40/86/585494086.db2.gz LWLZAWSOXPCGLK-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000766690239 585505476 /nfs/dbraw/zinc/50/54/76/585505476.db2.gz CGGAAMVTEPTUNU-JOYOIKCWSA-N 0 1 247.342 2.340 20 0 BEADMN CC(C)[C@@H](C(=O)OCCCF)N1CCCCC1 ZINC000767347987 585517023 /nfs/dbraw/zinc/51/70/23/585517023.db2.gz FWLFSGXQXKAPTH-LBPRGKRZSA-N 0 1 245.338 2.400 20 0 BEADMN CC(C)[C@H](C(=O)OCCCF)N1CCCCC1 ZINC000767347986 585517127 /nfs/dbraw/zinc/51/71/27/585517127.db2.gz FWLFSGXQXKAPTH-GFCCVEGCSA-N 0 1 245.338 2.400 20 0 BEADMN O=C(CCN1CCOC2(CCCC2)C1)C1CC1 ZINC000767417475 585519777 /nfs/dbraw/zinc/51/97/77/585519777.db2.gz OCDOBKFVBIOQJW-UHFFFAOYSA-N 0 1 237.343 2.001 20 0 BEADMN O=C(NCc1cnc[nH]1)OCC1CCCCC1 ZINC000859235332 589022992 /nfs/dbraw/zinc/02/29/92/589022992.db2.gz DXEHXTDSFZZYCL-UHFFFAOYSA-N 0 1 237.303 2.216 20 0 BEADMN CCC(N)=NOCc1ccc(Cl)cn1 ZINC000767548189 585522287 /nfs/dbraw/zinc/52/22/87/585522287.db2.gz OIWUDRPGZRMRRA-UHFFFAOYSA-N 0 1 213.668 2.143 20 0 BEADMN CCCCC[C@@H]1CCCN1CCS(C)(=O)=O ZINC000767904590 585528151 /nfs/dbraw/zinc/52/81/51/585528151.db2.gz DPNQIMUFLVYMJR-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN COCCN(C)Cc1cnc(Cl)c(C)c1 ZINC000768241219 585534511 /nfs/dbraw/zinc/53/45/11/585534511.db2.gz OVFMGUKDFGSVLB-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN CC[N@H+](CC(=O)NC)C/C(C)=C\c1ccccc1 ZINC000768301670 585535428 /nfs/dbraw/zinc/53/54/28/585535428.db2.gz GZNCRHZNIKZGKS-RAXLEYEMSA-N 0 1 246.354 2.158 20 0 BEADMN CCN(CC(=O)NC)C/C(C)=C\c1ccccc1 ZINC000768301670 585535429 /nfs/dbraw/zinc/53/54/29/585535429.db2.gz GZNCRHZNIKZGKS-RAXLEYEMSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)cnc1Cl ZINC000769332272 585553959 /nfs/dbraw/zinc/55/39/59/585553959.db2.gz ZUVBEUXSRZPSBX-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2CCC[C@H]2C)n[nH]1 ZINC000769578942 585560059 /nfs/dbraw/zinc/56/00/59/585560059.db2.gz PSXHDKBYMNKHQF-GHMZBOCLSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)C[C@H]2CCC[C@@H]2C)n[nH]1 ZINC000769578954 585560086 /nfs/dbraw/zinc/56/00/86/585560086.db2.gz PSXHDKBYMNKHQF-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000770506235 585575172 /nfs/dbraw/zinc/57/51/72/585575172.db2.gz ZUGXDSCJGYZCPN-JQWIXIFHSA-N 0 1 231.311 2.008 20 0 BEADMN Cc1nc(COC(=O)c2cc(C)ccc2C)n[nH]1 ZINC000770635601 585578463 /nfs/dbraw/zinc/57/84/63/585578463.db2.gz FJVVGTGVUWQZRC-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1cncnc1 ZINC000770746580 585581249 /nfs/dbraw/zinc/58/12/49/585581249.db2.gz NJKJRJWOZDVWGZ-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN CC=C(C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000770823813 585582401 /nfs/dbraw/zinc/58/24/01/585582401.db2.gz JNGBYVUYILPDBH-OQFOIZHKSA-N 0 1 242.282 2.376 20 0 BEADMN CCC(=CC(=O)N1CCN(C)[C@H](C)[C@@H]1C)CC ZINC000771402053 585593552 /nfs/dbraw/zinc/59/35/52/585593552.db2.gz FORWQCNGSVKYGV-NEPJUHHUSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)C=C2CCCC2)CCN1C ZINC000771396646 585593827 /nfs/dbraw/zinc/59/38/27/585593827.db2.gz ODFDWQLPJWARIK-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)C=C2CCCC2)CCN1C ZINC000771396647 585593891 /nfs/dbraw/zinc/59/38/91/585593891.db2.gz ODFDWQLPJWARIK-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000771407004 585594196 /nfs/dbraw/zinc/59/41/96/585594196.db2.gz PUEIUCRNUJAFKU-QVDRPMGRSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1[C@@H](C)N(C/C(Cl)=C/Cl)CCN1C ZINC000771461214 585594916 /nfs/dbraw/zinc/59/49/16/585594916.db2.gz RZRHTPASCPTPCG-MNTZLAJPSA-N 0 1 237.174 2.330 20 0 BEADMN CC(=O)CCN1CCC[C@H]1c1cc(C)no1 ZINC000771796159 585600217 /nfs/dbraw/zinc/60/02/17/585600217.db2.gz XZZGEXDLMNSMRP-NSHDSACASA-N 0 1 222.288 2.099 20 0 BEADMN C[C@H](N[C@H](CO)C1CC1)c1nc2ccccc2o1 ZINC000771818468 585601248 /nfs/dbraw/zinc/60/12/48/585601248.db2.gz JTGCTIVPRJKXSU-JOYOIKCWSA-N 0 1 246.310 2.249 20 0 BEADMN C[C@H](CCO)N(CCF)Cc1ccccc1 ZINC000772387441 585614085 /nfs/dbraw/zinc/61/40/85/585614085.db2.gz JCKTZUNZJPGATE-GFCCVEGCSA-N 0 1 225.307 2.229 20 0 BEADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCF ZINC000773541858 585639923 /nfs/dbraw/zinc/63/99/23/585639923.db2.gz FGTJYHQCCQKXOB-JTQLQIEISA-N 0 1 211.284 2.133 20 0 BEADMN CCc1cc(CNc2ccc(C(C)=O)cn2)n[nH]1 ZINC000774528959 585660917 /nfs/dbraw/zinc/66/09/17/585660917.db2.gz HRAGFMCSIRSYTB-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CCC(N)=NOCc1ccc(C)nc1C ZINC000774748673 585665134 /nfs/dbraw/zinc/66/51/34/585665134.db2.gz IQFMHGGPQFDCDG-UHFFFAOYSA-N 0 1 207.277 2.107 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCC=CO1)CC2 ZINC000774840420 585667100 /nfs/dbraw/zinc/66/71/00/585667100.db2.gz MERNBWLRQCTRNC-OAHLLOKOSA-N 0 1 245.322 2.443 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CCC=CO2)C[C@H]1F ZINC000775056408 585671370 /nfs/dbraw/zinc/67/13/70/585671370.db2.gz HWSOTHZQXVDZLI-GRYCIOLGSA-N 0 1 213.296 2.359 20 0 BEADMN O=C(NOC1CCCC1)[C@@H]1CC1(Cl)Cl ZINC000775273691 585674479 /nfs/dbraw/zinc/67/44/79/585674479.db2.gz SDXMLUXADXNCKB-ZETCQYMHSA-N 0 1 238.114 2.171 20 0 BEADMN CC(C)=CCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000775281407 585674969 /nfs/dbraw/zinc/67/49/69/585674969.db2.gz VUWODGJQSMPQOY-JTQLQIEISA-N 0 1 234.299 2.339 20 0 BEADMN Cc1ncc(CN2CCOCC[C@@H]2C)s1 ZINC000775569564 585680176 /nfs/dbraw/zinc/68/01/76/585680176.db2.gz YGCJEXDBLSHEPK-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN CCc1cc(CNC(=O)C2=CCCCCC2)n[nH]1 ZINC000775848105 585686204 /nfs/dbraw/zinc/68/62/04/585686204.db2.gz IQLYCKHCVLWZIG-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CC(C)(C)OC1CC(N2CCc3c[nH]nc3C2)C1 ZINC000775927582 585687888 /nfs/dbraw/zinc/68/78/88/585687888.db2.gz MJKHONFIICLZLC-UHFFFAOYSA-N 0 1 249.358 2.114 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1coc(C2CC2)n1 ZINC000775984457 585688762 /nfs/dbraw/zinc/68/87/62/585688762.db2.gz GIHMWVZEQQNANU-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@H]1CN(Cc2coc(C3CC3)n2)[C@@H](C)CN1C ZINC000775984455 585688780 /nfs/dbraw/zinc/68/87/80/585688780.db2.gz GIHMWVZEQQNANU-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H]1[C@@H](C)N(Cc2coc(C3CC3)n2)CCN1C ZINC000775984341 585688924 /nfs/dbraw/zinc/68/89/24/585688924.db2.gz FMSSHKOJDPUXIC-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1cc(=O)[n-]c(C[NH2+]C(C(C)C)C(C)C)n1 ZINC000776028749 585689582 /nfs/dbraw/zinc/68/95/82/585689582.db2.gz VWORBNIMNUQRCI-UHFFFAOYSA-N 0 1 237.347 2.261 20 0 BEADMN Cn1ccnc1[C@H](NCCOC1CCC1)C1CC1 ZINC000776492039 585699386 /nfs/dbraw/zinc/69/93/86/585699386.db2.gz IIHJOXBAFXRDRG-CYBMUJFWSA-N 0 1 249.358 2.030 20 0 BEADMN CC(C)COC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000776578577 585700822 /nfs/dbraw/zinc/70/08/22/585700822.db2.gz GNYQTCAWTFEPSK-VXGBXAGGSA-N 0 1 227.348 2.164 20 0 BEADMN CCC(C)(C)N(C)CC(=O)OCC(C)C ZINC000776592355 585702232 /nfs/dbraw/zinc/70/22/32/585702232.db2.gz MCKXOXQQZMYIKJ-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)N(Cc1cccc(F)c1)Cn1cnnc1 ZINC000776757555 585703853 /nfs/dbraw/zinc/70/38/53/585703853.db2.gz VCSJQLBCFFOCHI-UHFFFAOYSA-N 0 1 248.305 2.285 20 0 BEADMN CC(C)N(Cc1ccc(F)cc1)Cn1cnnc1 ZINC000776757732 585704446 /nfs/dbraw/zinc/70/44/46/585704446.db2.gz XRLKYHGQCBVHTK-UHFFFAOYSA-N 0 1 248.305 2.285 20 0 BEADMN Cc1ccc(N[C@H](C)[C@H]2CCOC2)c(N(C)C)n1 ZINC000777275386 585710001 /nfs/dbraw/zinc/71/00/01/585710001.db2.gz NCFCFBSFLLOXNG-NEPJUHHUSA-N 0 1 249.358 2.293 20 0 BEADMN FCc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000777712242 585718958 /nfs/dbraw/zinc/71/89/58/585718958.db2.gz IZBXYAYKCGSDFS-UHFFFAOYSA-N 0 1 245.301 2.438 20 0 BEADMN CCC(N)=NOCCc1ccc(F)c(F)c1 ZINC000778028188 585725184 /nfs/dbraw/zinc/72/51/84/585725184.db2.gz WCOAPTWFVYDGGF-UHFFFAOYSA-N 0 1 228.242 2.416 20 0 BEADMN CCCCOC(=O)CCN1CC[C@H](C)[C@H](F)C1 ZINC000778231325 585728334 /nfs/dbraw/zinc/72/83/34/585728334.db2.gz DTFBKHHOKVRQFD-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@@H]1CCN(CCC(=O)C2CC2)C[C@H]1F ZINC000778231979 585728430 /nfs/dbraw/zinc/72/84/30/585728430.db2.gz DNIBQEUFTFHIBY-MWLCHTKSSA-N 0 1 213.296 2.036 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccnc(Cl)c2)C1 ZINC000778396927 585732341 /nfs/dbraw/zinc/73/23/41/585732341.db2.gz AGKLSUCFLIKEMQ-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@@H](C(=O)OC[C@H]1C[C@H]1C)N1CCCCCC1 ZINC000778617250 585738334 /nfs/dbraw/zinc/73/83/34/585738334.db2.gz GXMMDJMPYAUWOB-FRRDWIJNSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@@H](C(=O)O[C@H]1C=CCC1)N(CC)CC ZINC000778712890 585739711 /nfs/dbraw/zinc/73/97/11/585739711.db2.gz LORUJAHGDCAKKI-RYUDHWBXSA-N 0 1 225.332 2.369 20 0 BEADMN CC(C)(C(=O)OC1CCCC1)N1CCCC1 ZINC000805614279 585740134 /nfs/dbraw/zinc/74/01/34/585740134.db2.gz NBJCKIGGFSPVJY-UHFFFAOYSA-N 0 1 225.332 2.347 20 0 BEADMN CCCCOC(=O)C(C)(C)N1CCCC1 ZINC000805615894 585740678 /nfs/dbraw/zinc/74/06/78/585740678.db2.gz KQHIDUOMHWFZJW-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000779289674 585750322 /nfs/dbraw/zinc/75/03/22/585750322.db2.gz MNVIALJOQUEHSQ-YFKPBYRVSA-N 0 1 247.245 2.019 20 0 BEADMN CC(C)c1csc(CN[C@@H](C)CCO)n1 ZINC000779407092 585753906 /nfs/dbraw/zinc/75/39/06/585753906.db2.gz RATPKRVWCGDBNC-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN C[C@H](CCO)Nc1ccc(CN(C)C)c(F)c1 ZINC000779420671 585754631 /nfs/dbraw/zinc/75/46/31/585754631.db2.gz CYFUKVSPBTWMFR-SNVBAGLBSA-N 0 1 240.322 2.070 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccc[nH]2)cn1 ZINC000780538924 585780249 /nfs/dbraw/zinc/78/02/49/585780249.db2.gz PSFWDJRXTVWLEX-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000780995421 585788143 /nfs/dbraw/zinc/78/81/43/585788143.db2.gz NYRWUVPAPGIYRN-OWRWYXLESA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000781008044 585788321 /nfs/dbraw/zinc/78/83/21/585788321.db2.gz MXLRTGVRMVWRCU-NYKRYYGFSA-N 0 1 238.375 2.284 20 0 BEADMN CSC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000781356700 585794943 /nfs/dbraw/zinc/79/49/43/585794943.db2.gz DWQHZPMAFHDNAN-ONEGZZNKSA-N 0 1 247.270 2.471 20 0 BEADMN COC(CNC1(c2ccc(F)cc2)CC1)OC ZINC000781896119 585804765 /nfs/dbraw/zinc/80/47/65/585804765.db2.gz ACFKSEZAXLWGCP-UHFFFAOYSA-N 0 1 239.290 2.023 20 0 BEADMN CCC[C@@H](C)N(C)Cc1nnc2ccccn21 ZINC000782180956 585810282 /nfs/dbraw/zinc/81/02/82/585810282.db2.gz MJQOMGCIWFPRJV-LLVKDONJSA-N 0 1 232.331 2.350 20 0 BEADMN OC[C@]12C[C@H]1CN(Cc1cccc(Cl)c1)C2 ZINC000782617563 585822630 /nfs/dbraw/zinc/82/26/30/585822630.db2.gz PLHYGEIUOOFRPJ-WCQYABFASA-N 0 1 237.730 2.154 20 0 BEADMN C[C@@H](c1nncn1C)N1CCCCCCC1 ZINC000805734003 585824960 /nfs/dbraw/zinc/82/49/60/585824960.db2.gz NPPIINPWANGEDT-NSHDSACASA-N 0 1 222.336 2.142 20 0 BEADMN CC(C)[C@@H](C(=O)OC1CC1)N1CCCCC1 ZINC000783187123 585829260 /nfs/dbraw/zinc/82/92/60/585829260.db2.gz SKDHPXCCGIXRKI-LBPRGKRZSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@@H](NC[C@@H]1CCC=CO1)c1nccn1C ZINC000783310650 585833739 /nfs/dbraw/zinc/83/37/39/585833739.db2.gz QVQNYLJGNAGEKB-NWDGAFQWSA-N 0 1 235.331 2.154 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)OCC(C)C)CC1 ZINC000783650487 585839476 /nfs/dbraw/zinc/83/94/76/585839476.db2.gz PQGMXCQYCZXMGQ-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN C[C@@H]1C[C@@H](c2cccnc2)N(CCF)C1 ZINC000805750356 585840464 /nfs/dbraw/zinc/84/04/64/585840464.db2.gz JDYXXHPJGNDRJG-PWSUYJOCSA-N 0 1 208.280 2.434 20 0 BEADMN C[C@@H]1CN(Cn2cc[nH]c2=S)CC(C)(C)C1 ZINC000784011031 585846842 /nfs/dbraw/zinc/84/68/42/585846842.db2.gz XECPOFCMHSQJJA-JTQLQIEISA-N 0 1 239.388 2.497 20 0 BEADMN Cc1nonc1CN(C)C[C@@H]1CC=CCC1 ZINC000784389641 585858365 /nfs/dbraw/zinc/85/83/65/585858365.db2.gz DWSHHRJRGBSKEW-LLVKDONJSA-N 0 1 221.304 2.166 20 0 BEADMN CO[C@@H]1CN(Cc2ccnc(F)c2)CC[C@H]1C ZINC000859270955 589026319 /nfs/dbraw/zinc/02/63/19/589026319.db2.gz ZFZIOAZPSARTLK-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN CC[C@H](C)COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785743026 585878806 /nfs/dbraw/zinc/87/88/06/585878806.db2.gz KBMSNUNVJGENNU-SDDRHHMPSA-N 0 1 227.348 2.449 20 0 BEADMN CSCCCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785732644 585878928 /nfs/dbraw/zinc/87/89/28/585878928.db2.gz OHTLRTFLMUUPFM-PHIMTYICSA-N 0 1 245.388 2.156 20 0 BEADMN CCCC(C)(C)CC(=O)OCc1n[nH]c(C)n1 ZINC000786468795 585892073 /nfs/dbraw/zinc/89/20/73/585892073.db2.gz DOHFFBJQYJSYEX-UHFFFAOYSA-N 0 1 239.319 2.373 20 0 BEADMN COC1CCN(Cc2ccc(F)nc2C)CC1 ZINC000787068289 585900576 /nfs/dbraw/zinc/90/05/76/585900576.db2.gz CIOYSNCMCXKRJJ-UHFFFAOYSA-N 0 1 238.306 2.140 20 0 BEADMN O=C(N[C@H](C1CCCC1)C(F)(F)F)C(F)F ZINC000787419705 585909301 /nfs/dbraw/zinc/90/93/01/585909301.db2.gz ZBKMOBLKUZXOOP-ZCFIWIBFSA-N 0 1 245.191 2.489 20 0 BEADMN CC(C)(C(=O)N1CCCCCCC1)c1c[nH]cn1 ZINC000788262212 585920056 /nfs/dbraw/zinc/92/00/56/585920056.db2.gz BOOANRSOFSXPKR-UHFFFAOYSA-N 0 1 249.358 2.480 20 0 BEADMN CC1(C)CN(C[C@H](O)c2cccc(F)c2)C1 ZINC000788434105 585923104 /nfs/dbraw/zinc/92/31/04/585923104.db2.gz GFRMDRBKUPZQET-LBPRGKRZSA-N 0 1 223.291 2.201 20 0 BEADMN O=C(OCC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC000789801675 585950496 /nfs/dbraw/zinc/95/04/96/585950496.db2.gz QIXVIHHRZAKKHE-ZDUSSCGKSA-N 0 1 237.343 2.347 20 0 BEADMN CON(C(=O)c1cn[nH]c1C1CC1)C1CCCC1 ZINC000789850799 585951709 /nfs/dbraw/zinc/95/17/09/585951709.db2.gz WPGOMHVSPYTFFY-UHFFFAOYSA-N 0 1 249.314 2.233 20 0 BEADMN O=C(C=Cc1ccc(Cl)cc1)Nc1c[nH]nn1 ZINC000789927395 585953665 /nfs/dbraw/zinc/95/36/65/585953665.db2.gz CBCNCGDJAVTAEG-ZZXKWVIFSA-N 0 1 248.673 2.110 20 0 BEADMN CCC(=O)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000790431450 585964566 /nfs/dbraw/zinc/96/45/66/585964566.db2.gz JSDRDVSKQNCLOJ-GFCCVEGCSA-N 0 1 227.348 2.103 20 0 BEADMN CCc1cc(CNC(=O)C[C@H](C)CC)n[nH]1 ZINC000790631708 585966908 /nfs/dbraw/zinc/96/69/08/585966908.db2.gz HZIVIZMDZIYCIG-SECBINFHSA-N 0 1 223.320 2.025 20 0 BEADMN O=C(OC/C=C\Cl)c1ccc2cncn2c1 ZINC000792545657 586002378 /nfs/dbraw/zinc/00/23/78/586002378.db2.gz DZKDGSKCMVAVQZ-RJRFIUFISA-N 0 1 236.658 2.244 20 0 BEADMN O=C(OCCC1CC1)c1ccc2cncn2c1 ZINC000792551170 586002489 /nfs/dbraw/zinc/00/24/89/586002489.db2.gz UPQIRJAEADFCEO-UHFFFAOYSA-N 0 1 230.267 2.291 20 0 BEADMN O=C(OCC1CCC1)c1ccc2cncn2c1 ZINC000792548843 586002515 /nfs/dbraw/zinc/00/25/15/586002515.db2.gz GPJFSZFJCYPLSI-UHFFFAOYSA-N 0 1 230.267 2.291 20 0 BEADMN CN(CC1OCCO1)C(C)(C)c1ccccc1 ZINC000792928892 586007178 /nfs/dbraw/zinc/00/71/78/586007178.db2.gz XIFXMYAOUOPCCO-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN O[C@H](CNCC1(F)CC1)c1c(F)cccc1F ZINC000792991081 586008059 /nfs/dbraw/zinc/00/80/59/586008059.db2.gz DQVMDACDIKGJMX-SNVBAGLBSA-N 0 1 245.244 2.090 20 0 BEADMN FC1(CNCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000793044173 586009092 /nfs/dbraw/zinc/00/90/92/586009092.db2.gz FPAQETFSEYZQTA-UHFFFAOYSA-N 0 1 246.289 2.063 20 0 BEADMN FC1(CNCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000793044173 586009093 /nfs/dbraw/zinc/00/90/93/586009093.db2.gz FPAQETFSEYZQTA-UHFFFAOYSA-N 0 1 246.289 2.063 20 0 BEADMN CC/C=C/COC(=O)c1ccc2cncn2c1 ZINC000793128288 586011324 /nfs/dbraw/zinc/01/13/24/586011324.db2.gz VFJGZIDTXYFKKK-ONEGZZNKSA-N 0 1 230.267 2.457 20 0 BEADMN CC(C)(F)COC(=O)c1ccc2cncn2c1 ZINC000793279450 586015675 /nfs/dbraw/zinc/01/56/75/586015675.db2.gz XDIMYURYGDXYRO-UHFFFAOYSA-N 0 1 236.246 2.239 20 0 BEADMN CC[C@H]1CCN1CN1C(=O)C(C)(C)C1(C)C ZINC000793811746 586026889 /nfs/dbraw/zinc/02/68/89/586026889.db2.gz VJQWPQLKEXLXKY-JTQLQIEISA-N 0 1 224.348 2.075 20 0 BEADMN CC[C@@H]1CCN1Cn1nccc1-c1ccncc1 ZINC000793820462 586027274 /nfs/dbraw/zinc/02/72/74/586027274.db2.gz LRZBQCOJTTUCQJ-CYBMUJFWSA-N 0 1 242.326 2.387 20 0 BEADMN Cc1nc(CN2Cc3ccccc3[C@H](C)C2)n[nH]1 ZINC000794270381 586036608 /nfs/dbraw/zinc/03/66/08/586036608.db2.gz DPHXMRHNHONJES-SNVBAGLBSA-N 0 1 242.326 2.232 20 0 BEADMN CC1(C)CC(CN2CCO[C@@H](C(F)F)C2)C1 ZINC000859297119 589028925 /nfs/dbraw/zinc/02/89/25/589028925.db2.gz UYRZNMAJTFSNTI-SNVBAGLBSA-N 0 1 233.302 2.389 20 0 BEADMN Cc1ccoc1CN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000795168497 586070233 /nfs/dbraw/zinc/07/02/33/586070233.db2.gz QSTHNQJPTGJAJB-LLVKDONJSA-N 0 1 249.310 2.116 20 0 BEADMN CCCC(N)=NOCC1CC(OCC)C1 ZINC000795208390 586071686 /nfs/dbraw/zinc/07/16/86/586071686.db2.gz FRLLTFVYVVQHAM-UHFFFAOYSA-N 0 1 214.309 2.100 20 0 BEADMN Cc1ccoc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795266387 586074027 /nfs/dbraw/zinc/07/40/27/586074027.db2.gz ZQTOSHUDXRMOKW-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1ccoc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795266387 586074030 /nfs/dbraw/zinc/07/40/30/586074030.db2.gz ZQTOSHUDXRMOKW-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC000795455959 586079662 /nfs/dbraw/zinc/07/96/62/586079662.db2.gz GXAJXJAYNVMRRA-VHSXEESVSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC000795455959 586079663 /nfs/dbraw/zinc/07/96/63/586079663.db2.gz GXAJXJAYNVMRRA-VHSXEESVSA-N 0 1 249.314 2.017 20 0 BEADMN C/C=C(/CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795533508 586083781 /nfs/dbraw/zinc/08/37/81/586083781.db2.gz XUZDPOMGUJRJOO-UITAMQMPSA-N 0 1 237.303 2.328 20 0 BEADMN C/C=C(/CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795533508 586083783 /nfs/dbraw/zinc/08/37/83/586083783.db2.gz XUZDPOMGUJRJOO-UITAMQMPSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C=C\CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795686742 586091137 /nfs/dbraw/zinc/09/11/37/586091137.db2.gz ZVFGVZSSZBATJU-JMEBYUIHSA-N 0 1 225.332 2.369 20 0 BEADMN Cc1cccc2c1CCN(Cc1cnc[nH]1)C2 ZINC000796443175 586103390 /nfs/dbraw/zinc/10/33/90/586103390.db2.gz CXMHVOMJIRPTOE-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN CCCCCCN(C)[C@H](C)C(=O)OC ZINC000796497151 586105032 /nfs/dbraw/zinc/10/50/32/586105032.db2.gz PUACAWYHPUMWPO-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CCN(CC(=O)OCC(C)C)CC1CCC1 ZINC000796539866 586106249 /nfs/dbraw/zinc/10/62/49/586106249.db2.gz MTQBERPKCMGQTH-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@H](C)CN1CC(O)(c2ccccc2)C1 ZINC000796622070 586108672 /nfs/dbraw/zinc/10/86/72/586108672.db2.gz PXVBSFBGOHBMEE-LBPRGKRZSA-N 0 1 219.328 2.236 20 0 BEADMN C[C@H](c1ccc(F)cc1)N(C)CC[S@@](C)=O ZINC000798192552 586138945 /nfs/dbraw/zinc/13/89/45/586138945.db2.gz DEQGEBALRQZQOX-QLJPJBMISA-N 0 1 243.347 2.197 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC[S@](C)=O ZINC000798193255 586139309 /nfs/dbraw/zinc/13/93/09/586139309.db2.gz IZCCGFKAXIGNSR-ABAIWWIYSA-N 0 1 225.357 2.058 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC[S@@](C)=O)cc1 ZINC000798193600 586139341 /nfs/dbraw/zinc/13/93/41/586139341.db2.gz MLGQMYYEHHKPGY-BLLLJJGKSA-N 0 1 239.384 2.366 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC[S@](C)=O ZINC000798193258 586139500 /nfs/dbraw/zinc/13/95/00/586139500.db2.gz IZCCGFKAXIGNSR-NHYWBVRUSA-N 0 1 225.357 2.058 20 0 BEADMN C[C@@H]1CN(CC[S@](C)=O)[C@H]1c1ccccc1 ZINC000798198065 586140242 /nfs/dbraw/zinc/14/02/42/586140242.db2.gz VTCOQTNLBGDMPG-KFNAQCHYSA-N 0 1 237.368 2.058 20 0 BEADMN CCCCCOC(=O)[C@@H](C(C)C)N(C)C ZINC000798818577 586150318 /nfs/dbraw/zinc/15/03/18/586150318.db2.gz YPUCDCKBBXFCQP-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1CCCS1)N(C)C ZINC000798837910 586151102 /nfs/dbraw/zinc/15/11/02/586151102.db2.gz ZVQQSTDTOKBHQY-QWRGUYRKSA-N 0 1 245.388 2.011 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1CCCS1)N(C)C ZINC000798837906 586151145 /nfs/dbraw/zinc/15/11/45/586151145.db2.gz ZVQQSTDTOKBHQY-GHMZBOCLSA-N 0 1 245.388 2.011 20 0 BEADMN CC[C@@H](C)COC(=O)[C@H](C(C)C)N(C)C ZINC000798847641 586151650 /nfs/dbraw/zinc/15/16/50/586151650.db2.gz PVACTGAOGLYNFD-MNOVXSKESA-N 0 1 215.337 2.162 20 0 BEADMN COC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC000799113945 586157523 /nfs/dbraw/zinc/15/75/23/586157523.db2.gz NJKDESFBXWRGPW-LBPRGKRZSA-N 0 1 242.363 2.053 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCCC23CC3)n[nH]1 ZINC000859339602 589032262 /nfs/dbraw/zinc/03/22/62/589032262.db2.gz GYSFKFKYVFCYFC-LBPRGKRZSA-N 0 1 247.342 2.169 20 0 BEADMN CCC[C@@H](C)N1CCO[C@@H](C(F)F)C1 ZINC000801559039 586261496 /nfs/dbraw/zinc/26/14/96/586261496.db2.gz BGUBPTNZSXPETB-RKDXNWHRSA-N 0 1 207.264 2.141 20 0 BEADMN CO[C@@H](C[N@H+]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000801936049 586278997 /nfs/dbraw/zinc/27/89/97/586278997.db2.gz OGDFZIWMEZRXOL-ZFWWWQNUSA-N 0 1 248.370 2.010 20 0 BEADMN CCS(=O)(=O)CCN(C)C[C@H](C)C(C)(C)C ZINC000802640253 586307224 /nfs/dbraw/zinc/30/72/24/586307224.db2.gz KLFZNZVOUKZXPW-NSHDSACASA-N 0 1 249.420 2.035 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839973790 586308742 /nfs/dbraw/zinc/30/87/42/586308742.db2.gz GDHZTKAAEREXDB-NEPJUHHUSA-N 0 1 226.364 2.036 20 0 BEADMN CC(C)CCN(C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000839973791 586308986 /nfs/dbraw/zinc/30/89/86/586308986.db2.gz GDHZTKAAEREXDB-NWDGAFQWSA-N 0 1 226.364 2.036 20 0 BEADMN CC(C)CCN(C)CN1CCC(C)(C)C1=O ZINC000839975843 586309672 /nfs/dbraw/zinc/30/96/72/586309672.db2.gz SXYPXWGEMHTQBX-UHFFFAOYSA-N 0 1 226.364 2.180 20 0 BEADMN CCCN(CN1C[C@H]2CCC[C@@H]2C1=O)C1CC1 ZINC000839990838 586333334 /nfs/dbraw/zinc/33/33/34/586333334.db2.gz KQGZFYNSCDIDAM-YPMHNXCESA-N 0 1 236.359 2.077 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)c1c(F)cc(O)cc1F ZINC000859562740 589045542 /nfs/dbraw/zinc/04/55/42/589045542.db2.gz PHEMKPGTIYKCTD-RNFRBKRXSA-N 0 1 242.221 2.483 20 0 BEADMN CCC(CC)OC(=O)[C@@H](C(C)C)N(C)C ZINC000803495038 586361464 /nfs/dbraw/zinc/36/14/64/586361464.db2.gz BWTWCLYIXPSZNJ-LLVKDONJSA-N 0 1 215.337 2.304 20 0 BEADMN C/C=C(\C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000803640562 586368296 /nfs/dbraw/zinc/36/82/96/586368296.db2.gz XECGYNILPDEWSM-ONNFQVAWSA-N 0 1 247.342 2.390 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccccc2)n[nH]1 ZINC000840014777 586370275 /nfs/dbraw/zinc/37/02/75/586370275.db2.gz KFQUQVBZZRNBOW-QMMMGPOBSA-N 0 1 231.255 2.031 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2cccc(C)c2)n[nH]1 ZINC000840020587 586382195 /nfs/dbraw/zinc/38/21/95/586382195.db2.gz SWFOKMYAQCDBSQ-SECBINFHSA-N 0 1 245.282 2.340 20 0 BEADMN O=C1[C@H]2CCC[C@H]2CN1CN1CCC2(CCC2)C1 ZINC000840023677 586383425 /nfs/dbraw/zinc/38/34/25/586383425.db2.gz SGDPENFYFAUNGM-STQMWFEESA-N 0 1 248.370 2.078 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(CC)C[C@H]1C ZINC000804380257 586393481 /nfs/dbraw/zinc/39/34/81/586393481.db2.gz SVMAFAAGJVGNMV-KXXVWKPMSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H]1CCN(CN2CC[C@@H](C)C(C)(C)C2)C1=O ZINC000840049583 586398889 /nfs/dbraw/zinc/39/88/89/586398889.db2.gz SONYNGCBCGZVCF-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN O=C1[C@@H]2CCC[C@@H]2CN1CN1CCCC2(CC2)C1 ZINC000840051871 586400239 /nfs/dbraw/zinc/40/02/39/586400239.db2.gz DFEJYENGOWFKIN-CHWSQXEVSA-N 0 1 248.370 2.078 20 0 BEADMN O=C1[C@@H]2CCC[C@H]2CN1CN1CCCC2(CC2)C1 ZINC000840051898 586400520 /nfs/dbraw/zinc/40/05/20/586400520.db2.gz DFEJYENGOWFKIN-QWHCGFSZSA-N 0 1 248.370 2.078 20 0 BEADMN Cc1cccc(-c2nc([C@@H](N)C(C)C)no2)c1O ZINC000843146104 586445584 /nfs/dbraw/zinc/44/55/84/586445584.db2.gz AUHVAHPIGGWMKQ-JTQLQIEISA-N 0 1 247.298 2.406 20 0 BEADMN CCCCOCc1nc([C@H](N)C(C)C)no1 ZINC000843148673 586447966 /nfs/dbraw/zinc/44/79/66/586447966.db2.gz VMODGRMFYHEUOJ-SNVBAGLBSA-N 0 1 227.308 2.042 20 0 BEADMN CC(C)[C@@H](N)c1noc(COC2CCCC2)n1 ZINC000843148834 586448406 /nfs/dbraw/zinc/44/84/06/586448406.db2.gz XYCUVVSUCOCSBV-LLVKDONJSA-N 0 1 239.319 2.185 20 0 BEADMN CN1CC2(C1)CCN(C(=O)C=C1CCCCC1)C2 ZINC000807936569 586452434 /nfs/dbraw/zinc/45/24/34/586452434.db2.gz QXNFKPQGUNZFGI-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000808134499 586464286 /nfs/dbraw/zinc/46/42/86/586464286.db2.gz WDCWXNJQERUZBI-GXTWGEPZSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@H](C)CN(C)CN1CC(C)(C)CC1=O ZINC000808157595 586465547 /nfs/dbraw/zinc/46/55/47/586465547.db2.gz LSAHVHWYATVIGU-LLVKDONJSA-N 0 1 226.364 2.180 20 0 BEADMN CN(CCC1CC1)CN1C(=O)CCC1(C)C ZINC000808170459 586466576 /nfs/dbraw/zinc/46/65/76/586466576.db2.gz AVQREMDAEHBLIW-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CCN(CCC1CC1)CN1CC(C)(C)CC1=O ZINC000808178375 586466996 /nfs/dbraw/zinc/46/69/96/586466996.db2.gz IULIOFPHJZUIJF-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CC(C)=CCOC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000808543147 586478897 /nfs/dbraw/zinc/47/88/97/586478897.db2.gz BBXBWAHKRWSEFI-RYUDHWBXSA-N 0 1 225.332 2.369 20 0 BEADMN CCC(CC)N(CC)CCS(=O)(=O)C(C)C ZINC000808782574 586489933 /nfs/dbraw/zinc/48/99/33/586489933.db2.gz YXCPCUCPEXYKAH-UHFFFAOYSA-N 0 1 249.420 2.320 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cn1cc[nH]c1=S ZINC000840181928 586508722 /nfs/dbraw/zinc/50/87/22/586508722.db2.gz BERYCEWSEPRCIL-SECBINFHSA-N 0 1 225.361 2.250 20 0 BEADMN Cc1ccncc1CCCNCc1ccon1 ZINC000809624683 586509817 /nfs/dbraw/zinc/50/98/17/586509817.db2.gz OSWBLTBTHGSUEU-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN Cc1nonc1CNC[C@H](C)Cc1ccccc1 ZINC000809744093 586516481 /nfs/dbraw/zinc/51/64/81/586516481.db2.gz VBOXFDSUEICPSV-LLVKDONJSA-N 0 1 245.326 2.346 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1ccccc1C ZINC000809744437 586516579 /nfs/dbraw/zinc/51/65/79/586516579.db2.gz KXMAUXYXYCMGIQ-LLVKDONJSA-N 0 1 245.326 2.407 20 0 BEADMN CC1CCC(N(Cc2cnn(C)n2)C2CC2)CC1 ZINC000809935903 586524372 /nfs/dbraw/zinc/52/43/72/586524372.db2.gz NYZOKZSVYDPWQK-UHFFFAOYSA-N 0 1 248.374 2.358 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000809948124 586525301 /nfs/dbraw/zinc/52/53/01/586525301.db2.gz VGQFPQMTPQNKAP-GFCCVEGCSA-N 0 1 236.363 2.073 20 0 BEADMN CCCCC[C@H]1CCCN1Cc1cnn(C)n1 ZINC000809955271 586526439 /nfs/dbraw/zinc/52/64/39/586526439.db2.gz UDPUOHBMLOQKQX-ZDUSSCGKSA-N 0 1 236.363 2.360 20 0 BEADMN Cc1ncccc1CON=C(N)C(C)C ZINC000809998184 586529854 /nfs/dbraw/zinc/52/98/54/586529854.db2.gz OXJWMXXYAHLBFF-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN CCCC[C@H](C)N(C)CCS(=O)(=O)CCC ZINC000810125524 586534903 /nfs/dbraw/zinc/53/49/03/586534903.db2.gz XZAJFDJNHNHSAU-LBPRGKRZSA-N 0 1 249.420 2.322 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1coc(C2CC2)n1 ZINC000810173141 586535911 /nfs/dbraw/zinc/53/59/11/586535911.db2.gz WUHYOPAAUAZQRU-CYBMUJFWSA-N 0 1 238.331 2.049 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cc(C)on2)n[nH]1 ZINC000810218072 586536568 /nfs/dbraw/zinc/53/65/68/586536568.db2.gz OIDYJVOLOSAHTE-VIFPVBQESA-N 0 1 234.303 2.119 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](C)Cc2cnccn2)no1 ZINC000810214057 586536659 /nfs/dbraw/zinc/53/66/59/586536659.db2.gz MVQZUDJBTZYQCU-GXSJLCMTSA-N 0 1 246.314 2.055 20 0 BEADMN Cc1cc([C@H](C)NC2CCC(C)(O)CC2)no1 ZINC000810221429 586537009 /nfs/dbraw/zinc/53/70/09/586537009.db2.gz GGVOARXOFMANQB-ZBOXLXRLSA-N 0 1 238.331 2.327 20 0 BEADMN C[C@H](Cc1nc(C2(N)CCCC2)no1)C1CC1 ZINC000842589774 586551324 /nfs/dbraw/zinc/55/13/24/586551324.db2.gz TXIHZAKUJVUJKZ-SECBINFHSA-N 0 1 235.331 2.386 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)C(C)(C)C)n[nH]1 ZINC000840230838 586559282 /nfs/dbraw/zinc/55/92/82/586559282.db2.gz LTTQEYWNUKXTJL-HTQZYQBOSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nonc1CNC[C@@H]1CC(C)=C[C@H](C)C1 ZINC000811507266 586560300 /nfs/dbraw/zinc/56/03/00/586560300.db2.gz WQHPQEVUYGVQSK-CABZTGNLSA-N 0 1 235.331 2.460 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H]2CC23CCCC3)n[nH]1 ZINC000840250375 586574709 /nfs/dbraw/zinc/57/47/09/586574709.db2.gz MVDIKXZZYYVPIO-PSASIEDQSA-N 0 1 249.314 2.298 20 0 BEADMN O=C(NOC/C=C/Cl)[C@@H]1Cc2ccccc21 ZINC000812403374 586575871 /nfs/dbraw/zinc/57/58/71/586575871.db2.gz NEGZNZKGEIWSAJ-ZXCPCRMDSA-N 0 1 237.686 2.127 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CCC2CCC2)n[nH]1 ZINC000840254525 586577300 /nfs/dbraw/zinc/57/73/00/586577300.db2.gz CIFDCBFFMWAHJT-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN CN(CC1(C)CCC1)[C@H]1CC(C)(C)OC1=O ZINC000814637740 586626728 /nfs/dbraw/zinc/62/67/28/586626728.db2.gz CKZYOJGCEBRGHI-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H]1CCCC[C@H]1CCNCc1cnn(C)n1 ZINC000815126494 586667595 /nfs/dbraw/zinc/66/75/95/586667595.db2.gz MTRPKMVBPGMWJL-RYUDHWBXSA-N 0 1 236.363 2.121 20 0 BEADMN Cn1ncc(CNCCC2=CCCCCC2)n1 ZINC000815134049 586668505 /nfs/dbraw/zinc/66/85/05/586668505.db2.gz HENKTMBKLRFZER-UHFFFAOYSA-N 0 1 234.347 2.185 20 0 BEADMN Cc1nn(C)c2ncc(CN3C[C@@H](C)[C@@H]3C)cc12 ZINC000815162610 586671191 /nfs/dbraw/zinc/67/11/91/586671191.db2.gz LPXRCKFXYAUUFV-KOLCDFICSA-N 0 1 244.342 2.117 20 0 BEADMN CCC(=O)CCN1CCOC[C@H]1CC1CCC1 ZINC000815292485 586677195 /nfs/dbraw/zinc/67/71/95/586677195.db2.gz QSFSWWWEDQDZFE-CYBMUJFWSA-N 0 1 239.359 2.247 20 0 BEADMN CC(C)CONC(=O)[C@H]1CCc2cccc(O)c21 ZINC000815859680 586695085 /nfs/dbraw/zinc/69/50/85/586695085.db2.gz JSVZYSCLLHORPD-NSHDSACASA-N 0 1 249.310 2.126 20 0 BEADMN CCN(CCc1ccccn1)Cc1conc1C ZINC000816495625 586736776 /nfs/dbraw/zinc/73/67/76/586736776.db2.gz CROLYPPPLAIWFZ-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN C[C@H]1CCCN1Cc1cnn(C)c1Cl ZINC000816508130 586737558 /nfs/dbraw/zinc/73/75/58/586737558.db2.gz CRTGLDAUMBUPBJ-QMMMGPOBSA-N 0 1 213.712 2.058 20 0 BEADMN C[C@@H]1CN(Cc2n[nH]c3ccccc32)[C@@H]1C ZINC000816647834 586750084 /nfs/dbraw/zinc/75/00/84/586750084.db2.gz YUUGYJSHNAEBHY-NXEZZACHSA-N 0 1 215.300 2.403 20 0 BEADMN Cc1cc(C)n2c(CN3C[C@@H](C)[C@H]3C)cnc2n1 ZINC000816647674 586750171 /nfs/dbraw/zinc/75/01/71/586750171.db2.gz WRZTXYAJCPIFJH-BXKDBHETSA-N 0 1 244.342 2.186 20 0 BEADMN COc1cc(CN2C[C@H](C)[C@@H]2C)cc2c1OCO2 ZINC000816648315 586750254 /nfs/dbraw/zinc/75/02/54/586750254.db2.gz IRTADQGSCCTTCM-UWVGGRQHSA-N 0 1 249.310 2.264 20 0 BEADMN COc1ccc(CN2C[C@@H](C)[C@H]2C)cc1O ZINC000816649217 586751714 /nfs/dbraw/zinc/75/17/14/586751714.db2.gz VXFQOBQKCIJWGU-NXEZZACHSA-N 0 1 221.300 2.241 20 0 BEADMN c1c2ccccc2[nH]c1CN1CC2(C1)CCOC2 ZINC000816670984 586753753 /nfs/dbraw/zinc/75/37/53/586753753.db2.gz KQMNJESKCURSDK-UHFFFAOYSA-N 0 1 242.322 2.390 20 0 BEADMN C[C@@H](NC(=O)C=C1CC[C@@H](C)C1)c1ncc[nH]1 ZINC000816719178 586759996 /nfs/dbraw/zinc/75/99/96/586759996.db2.gz RNCUQQQGLZHNIJ-VXNGBHNKSA-N 0 1 233.315 2.333 20 0 BEADMN Cc1ccc2nc(NC(=O)C(F)(F)F)[nH]c2c1 ZINC000817017323 586778940 /nfs/dbraw/zinc/77/89/40/586778940.db2.gz JHTWDFKURDYXOC-UHFFFAOYSA-N 0 1 243.188 2.372 20 0 BEADMN Cc1ccc2nc(NC(=O)C3=COCC3)[nH]c2c1 ZINC000817017564 586779340 /nfs/dbraw/zinc/77/93/40/586779340.db2.gz SNXSRPCTXPOBMP-UHFFFAOYSA-N 0 1 243.266 2.114 20 0 BEADMN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCF)C1 ZINC000817288628 586793424 /nfs/dbraw/zinc/79/34/24/586793424.db2.gz JUIRZORBLVEPGH-MNOVXSKESA-N 0 1 245.338 2.256 20 0 BEADMN CC(C)[C@@H](C(=O)NOCC1CC1)c1cccnc1 ZINC000817330977 586795874 /nfs/dbraw/zinc/79/58/74/586795874.db2.gz UIMJFMVIYXHKPR-CYBMUJFWSA-N 0 1 248.326 2.279 20 0 BEADMN CC(C)[C@H](C(=O)NOCC1CC1)c1cccnc1 ZINC000817331132 586795940 /nfs/dbraw/zinc/79/59/40/586795940.db2.gz UIMJFMVIYXHKPR-ZDUSSCGKSA-N 0 1 248.326 2.279 20 0 BEADMN COC1([C@@H](C)N[C@@H]2CCn3ccnc32)CCCC1 ZINC000817584652 586812643 /nfs/dbraw/zinc/81/26/43/586812643.db2.gz FOEQJDXALFYIKV-VXGBXAGGSA-N 0 1 249.358 2.265 20 0 BEADMN CCn1nc(C)c(CNC[C@@H]2C[C@H]2C2CCC2)n1 ZINC000818220419 586880217 /nfs/dbraw/zinc/88/02/17/586880217.db2.gz GWMBAPFZAFBDCT-STQMWFEESA-N 0 1 248.374 2.132 20 0 BEADMN CCc1nn(C)c(Cl)c1CN[C@H]1CC12CC2 ZINC000818229908 586881127 /nfs/dbraw/zinc/88/11/27/586881127.db2.gz HMSGCGDNLWMMMA-JTQLQIEISA-N 0 1 239.750 2.278 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC[C@H]2C2CCC2)n1 ZINC000818346890 586887324 /nfs/dbraw/zinc/88/73/24/586887324.db2.gz VSTIGCGMYTZDAW-STQMWFEESA-N 0 1 248.374 2.275 20 0 BEADMN CC1(C)CCC(=CC(=O)Nc2c[nH]nn2)CC1 ZINC000819487872 586968986 /nfs/dbraw/zinc/96/89/86/586968986.db2.gz JZHKZZNVKWECIU-UHFFFAOYSA-N 0 1 234.303 2.270 20 0 BEADMN CC(C)COC(=O)CN1CCCC2(CC2)CC1 ZINC000860073075 589079325 /nfs/dbraw/zinc/07/93/25/589079325.db2.gz IVTWDDQLKNBTMD-UHFFFAOYSA-N 0 1 239.359 2.452 20 0 BEADMN Cc1nonc1CN1CCCC2(CC2)CC1 ZINC000860074197 589079455 /nfs/dbraw/zinc/07/94/55/589079455.db2.gz XDOYGDDFJZMWKR-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc2cc[nH]c21 ZINC000820015368 587012708 /nfs/dbraw/zinc/01/27/08/587012708.db2.gz OMQOIOUIPMSYOM-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN CC[C@@H](C)CONC(=O)c1cccc(F)c1O ZINC000820278946 587040240 /nfs/dbraw/zinc/04/02/40/587040240.db2.gz GPLABXWZRVSWPZ-MRVPVSSYSA-N 0 1 241.262 2.239 20 0 BEADMN CC[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC000820419280 587047587 /nfs/dbraw/zinc/04/75/87/587047587.db2.gz UFOHFFIZWAWXHY-MRVPVSSYSA-N 0 1 242.344 2.219 20 0 BEADMN CC[C@@H]([NH2+][C@@H](C)c1nc(C)sc1C)C(=O)[O-] ZINC000820418734 587047667 /nfs/dbraw/zinc/04/76/67/587047667.db2.gz CTQDGGRUNSQYAW-IMTBSYHQSA-N 0 1 242.344 2.274 20 0 BEADMN CC[C@H](C)[C@H]([NH2+]Cc1csc(C)n1)C(=O)[O-] ZINC000820465517 587050278 /nfs/dbraw/zinc/05/02/78/587050278.db2.gz KAHHWMOPTMXIMN-XVKPBYJWSA-N 0 1 242.344 2.040 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000820527719 587052805 /nfs/dbraw/zinc/05/28/05/587052805.db2.gz RDSXRVQPSHJKIM-GMTAPVOTSA-N 0 1 247.342 2.160 20 0 BEADMN COC(=O)C1C[C@H](C)N(C/C=C\Cl)[C@@H](C)C1 ZINC000860184086 589087879 /nfs/dbraw/zinc/08/78/79/589087879.db2.gz BFTLXQGCZSULIT-NDVXOHMPSA-N 0 1 245.750 2.401 20 0 BEADMN Cc1ccc(CN[C@H](C)c2cnnn2C)s1 ZINC000820807501 587073126 /nfs/dbraw/zinc/07/31/26/587073126.db2.gz JSEVLCSSOUDCEK-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN CC[C@@H](N[C@H](C)c1cnnn1C)c1ccncc1 ZINC000820811403 587074004 /nfs/dbraw/zinc/07/40/04/587074004.db2.gz PTIDSPHFOYFPRW-ZYHUDNBSSA-N 0 1 245.330 2.012 20 0 BEADMN COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)[O-])c1 ZINC000820865564 587078383 /nfs/dbraw/zinc/07/83/83/587078383.db2.gz RSVIQBZVERPZTR-MFKMUULPSA-N 0 1 249.310 2.163 20 0 BEADMN CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821016410 587088327 /nfs/dbraw/zinc/08/83/27/587088327.db2.gz WGEQIUSKCKQYAB-SECBINFHSA-N 0 1 249.318 2.128 20 0 BEADMN CCC1(NC(=O)c2cc(F)cc(F)c2O)CC1 ZINC000821106143 587096209 /nfs/dbraw/zinc/09/62/09/587096209.db2.gz WLIDYMKEOZHPKR-UHFFFAOYSA-N 0 1 241.237 2.343 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000840460322 587105424 /nfs/dbraw/zinc/10/54/24/587105424.db2.gz QXLXCAPWDYDLNX-FXBDTBDDSA-N 0 1 237.303 2.009 20 0 BEADMN CC(C)CN(C)C(=O)c1nc[nH]c1C(F)(F)F ZINC000821336225 587108897 /nfs/dbraw/zinc/10/88/97/587108897.db2.gz UJQQKSWZBSZOLR-UHFFFAOYSA-N 0 1 249.236 2.157 20 0 BEADMN Cc1cc([NH+]=C([O-])NOCC2CCC2)sn1 ZINC000821560247 587128231 /nfs/dbraw/zinc/12/82/31/587128231.db2.gz JPLKCHFMMXPBHL-UHFFFAOYSA-N 0 1 241.316 2.305 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CCCC23CC3)n[nH]1 ZINC000860176039 589087416 /nfs/dbraw/zinc/08/74/16/589087416.db2.gz MIDBETWWGIYJJQ-WCBMZHEXSA-N 0 1 249.314 2.298 20 0 BEADMN CCC1CN(C(=O)c2cccc(F)c2O)C1 ZINC000822307303 587161263 /nfs/dbraw/zinc/16/12/63/587161263.db2.gz WZRQSMSPFIQWDN-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCCC2)CC1 ZINC000822317990 587161627 /nfs/dbraw/zinc/16/16/27/587161627.db2.gz VMXWFRUPEGUOLG-CHWSQXEVSA-N 0 1 238.375 2.167 20 0 BEADMN CC1(C)CCC[C@H](NC(=O)CN2CCCC2)C1 ZINC000822317655 587161817 /nfs/dbraw/zinc/16/18/17/587161817.db2.gz ROSJMKKCIDRVED-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)C(CNC(=O)CN1CCCC1)C(C)C ZINC000822339461 587163380 /nfs/dbraw/zinc/16/33/80/587163380.db2.gz FFPAJSIEWHEPNK-UHFFFAOYSA-N 0 1 240.391 2.127 20 0 BEADMN COC1CC(N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000822497925 587171881 /nfs/dbraw/zinc/17/18/81/587171881.db2.gz OLUBXGOPHLTTPU-NWINJMCUSA-N 0 1 235.302 2.391 20 0 BEADMN CCc1cc(CNC(=O)c2cc(C)cs2)n[nH]1 ZINC000823286401 587213615 /nfs/dbraw/zinc/21/36/15/587213615.db2.gz MTNNNDMICISDGJ-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CC(C)(CNC(=O)CN1CCCC1)C1CCC1 ZINC000823351458 587217541 /nfs/dbraw/zinc/21/75/41/587217541.db2.gz KXTWJJMJBZXZTH-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@H]1CCCCN1Cc1nn(CC)nc1C ZINC000823379396 587218751 /nfs/dbraw/zinc/21/87/51/587218751.db2.gz GMDVDLMXLHJOSG-LBPRGKRZSA-N 0 1 236.363 2.371 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nn(CC)nc1C ZINC000823379395 587219133 /nfs/dbraw/zinc/21/91/33/587219133.db2.gz GMDVDLMXLHJOSG-GFCCVEGCSA-N 0 1 236.363 2.371 20 0 BEADMN CCn1nc(C)c(CN(C)[C@H](C)C(C)C)n1 ZINC000823399700 587219722 /nfs/dbraw/zinc/21/97/22/587219722.db2.gz PBJUFSXRCPDSRH-LLVKDONJSA-N 0 1 224.352 2.083 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H](C)CC2)n1 ZINC000823424028 587221036 /nfs/dbraw/zinc/22/10/36/587221036.db2.gz RIGSOENWPYMBRP-LLVKDONJSA-N 0 1 236.363 2.228 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H]2C2CCC2)n1 ZINC000823429027 587221398 /nfs/dbraw/zinc/22/13/98/587221398.db2.gz UQDJKCTXZFELTA-CQSZACIVSA-N 0 1 248.374 2.371 20 0 BEADMN CCn1nc(C)c(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000823458896 587223402 /nfs/dbraw/zinc/22/34/02/587223402.db2.gz JKVVONAJXJNPPO-QWRGUYRKSA-N 0 1 236.363 2.084 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nn(CC)nc1C ZINC000823458596 587223461 /nfs/dbraw/zinc/22/34/61/587223461.db2.gz AFKMQUJGWXMMIF-CMPLNLGQSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000823459481 587224061 /nfs/dbraw/zinc/22/40/61/587224061.db2.gz UZMNYWARBVLTQC-WDEREUQCSA-N 0 1 236.363 2.227 20 0 BEADMN CCC[C@H](NC(=O)CN1CCCC1)C1CCC1 ZINC000823547428 587230883 /nfs/dbraw/zinc/23/08/83/587230883.db2.gz WMOCSPQWYYJWCU-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCCNCc1nn(CC)nc1C ZINC000823584108 587232059 /nfs/dbraw/zinc/23/20/59/587232059.db2.gz AIFNINIRWOGNNT-UHFFFAOYSA-N 0 1 224.352 2.276 20 0 BEADMN CC(C)(C)C[C@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000823767120 587240016 /nfs/dbraw/zinc/24/00/16/587240016.db2.gz ZZVFHKPEEUITGL-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN CCCONC(=O)Cc1csc(C2CC2)n1 ZINC000824041431 587251033 /nfs/dbraw/zinc/25/10/33/587251033.db2.gz MMAFWAHFXVOQCT-UHFFFAOYSA-N 0 1 240.328 2.021 20 0 BEADMN CC(C)[C@H](CC[N@@H+](C)C/C=C/Cl)NC(=O)[O-] ZINC000824098685 587254754 /nfs/dbraw/zinc/25/47/54/587254754.db2.gz KXDNTTOFCDDGID-RWCYGVJQSA-N 0 1 248.754 2.353 20 0 BEADMN CCn1nc(C)c(CNC2CC(C(C)C)C2)n1 ZINC000824286948 587264894 /nfs/dbraw/zinc/26/48/94/587264894.db2.gz MPEQACAHUBVXAO-UHFFFAOYSA-N 0 1 236.363 2.131 20 0 BEADMN CCn1nc(C)c(CN2CCC3(CCC3)CC2)n1 ZINC000824371291 587268272 /nfs/dbraw/zinc/26/82/72/587268272.db2.gz YMFWPPJYSFIOMS-UHFFFAOYSA-N 0 1 248.374 2.373 20 0 BEADMN CCCCC1(C(=O)N(C)Cc2cnc[nH]2)CC1 ZINC000824629128 587280103 /nfs/dbraw/zinc/28/01/03/587280103.db2.gz PXZXGLWTHPZUGW-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C[C@H]1CC=CCC1 ZINC000824628534 587280361 /nfs/dbraw/zinc/28/03/61/587280361.db2.gz HDQJLQNYPMUFAJ-NSHDSACASA-N 0 1 233.315 2.115 20 0 BEADMN CC/C=C/CNCc1cnc([C@H](C)O)s1 ZINC000824709129 587283912 /nfs/dbraw/zinc/28/39/12/587283912.db2.gz NGXQPDGHXVIMFT-MOVJSRMASA-N 0 1 226.345 2.252 20 0 BEADMN CC(C)=CCN1CCN(c2ccnc(F)c2)CC1 ZINC000824805522 587288315 /nfs/dbraw/zinc/28/83/15/587288315.db2.gz LKPXKMQAVWYCLA-UHFFFAOYSA-N 0 1 249.333 2.309 20 0 BEADMN CCc1nc(CN[C@H](C)C[C@H]2CCOC2)co1 ZINC000825055835 587300375 /nfs/dbraw/zinc/30/03/75/587300375.db2.gz BJKPOSACMBOFHT-GHMZBOCLSA-N 0 1 238.331 2.142 20 0 BEADMN CCc1nc(CNC2CC(OC(C)C)C2)co1 ZINC000825061299 587301781 /nfs/dbraw/zinc/30/17/81/587301781.db2.gz DSHOOHGCCZENQA-UHFFFAOYSA-N 0 1 238.331 2.283 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCC1CC1 ZINC000825194282 587309176 /nfs/dbraw/zinc/30/91/76/587309176.db2.gz NOTMSNDMBXBYBP-ZYHUDNBSSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000825266263 587312046 /nfs/dbraw/zinc/31/20/46/587312046.db2.gz VAWWOUNTOYLUDJ-CMPLNLGQSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000825267124 587312142 /nfs/dbraw/zinc/31/21/42/587312142.db2.gz XLWDPQWOACZBMH-PWSUYJOCSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@H](C(=O)NCC1CCC2(CC2)CC1)N(C)C ZINC000825333415 587315944 /nfs/dbraw/zinc/31/59/44/587315944.db2.gz PIBHNNRWHGGDTA-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN C/C(=C/C[N@H+]([C@@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000825729839 587334023 /nfs/dbraw/zinc/33/40/23/587334023.db2.gz NELAQQFYMAEGTM-RNKPRXRFSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@@H]1c1cccn1C)C(=O)[O-] ZINC000825741500 587335342 /nfs/dbraw/zinc/33/53/42/587335342.db2.gz OLHPOPVNZRRXQZ-SVTZGKHISA-N 0 1 248.326 2.193 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccccn1)C(=O)[O-] ZINC000825741597 587335598 /nfs/dbraw/zinc/33/55/98/587335598.db2.gz QFGBHYJGWZMMHR-LWMSPQMPSA-N 0 1 246.310 2.249 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736220 587335899 /nfs/dbraw/zinc/33/58/99/587335899.db2.gz WJBLDFYAXXBFPE-YRBHFNIASA-N 0 1 245.322 2.334 20 0 BEADMN C[C@@H]1CCC[N@@H+](C/C=C/Cl)[C@H]1CNC(=O)[O-] ZINC000825924290 587345590 /nfs/dbraw/zinc/34/55/90/587345590.db2.gz GRCPLHQVZCRAHR-AEJJFCSLSA-N 0 1 246.738 2.107 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000826128035 587351236 /nfs/dbraw/zinc/35/12/36/587351236.db2.gz AICOJEXTJNDPPH-SUIFULHWSA-N 0 1 238.375 2.141 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N[C@@H]1CCCN(C)C1 ZINC000826599704 587356138 /nfs/dbraw/zinc/35/61/38/587356138.db2.gz MPDYWKBLLVTFDA-DGCLKSJQSA-N 0 1 244.354 2.115 20 0 BEADMN CCCC[C@](C)(F)C(=O)N[C@H]1CCCN(C)C1 ZINC000826599702 587356164 /nfs/dbraw/zinc/35/61/64/587356164.db2.gz MPDYWKBLLVTFDA-AAEUAGOBSA-N 0 1 244.354 2.115 20 0 BEADMN CC[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000826676224 587358888 /nfs/dbraw/zinc/35/88/88/587358888.db2.gz XOCQIPHHPZKDQJ-RYUDHWBXSA-N 0 1 240.347 2.108 20 0 BEADMN CC[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000826676225 587358904 /nfs/dbraw/zinc/35/89/04/587358904.db2.gz XOCQIPHHPZKDQJ-VXGBXAGGSA-N 0 1 240.347 2.108 20 0 BEADMN CC1(C)C[C@@H](NCc2cc(F)ncc2F)CO1 ZINC000826797230 587362631 /nfs/dbraw/zinc/36/26/31/587362631.db2.gz QOZGULKSZFYWKL-SECBINFHSA-N 0 1 242.269 2.017 20 0 BEADMN CCC[N@@H+](CC(C)C)C1CCN(C(=O)[O-])CC1 ZINC000826903599 587364870 /nfs/dbraw/zinc/36/48/70/587364870.db2.gz LICWQPNFGWTNGY-UHFFFAOYSA-N 0 1 242.363 2.497 20 0 BEADMN CCC[N@@H+](CC)CCC1CCN(C(=O)[O-])CC1 ZINC000826907953 587365163 /nfs/dbraw/zinc/36/51/63/587365163.db2.gz XHACHARSSUWKDY-UHFFFAOYSA-N 0 1 242.363 2.498 20 0 BEADMN COCCN(CCF)CC1(SC)CCC1 ZINC000827046899 587368888 /nfs/dbraw/zinc/36/88/88/587368888.db2.gz AMOJTAZGOVUWFD-UHFFFAOYSA-N 0 1 235.368 2.190 20 0 BEADMN CC(C)CC(=O)CCN1CCN(C(C)C)CC1 ZINC000827720055 587398709 /nfs/dbraw/zinc/39/87/09/587398709.db2.gz SVHLJASFQFBERF-UHFFFAOYSA-N 0 1 240.391 2.018 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCC(=O)CC(C)C ZINC000827788799 587402733 /nfs/dbraw/zinc/40/27/33/587402733.db2.gz XJZVBMOGZFCKMH-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC000827983896 587415081 /nfs/dbraw/zinc/41/50/81/587415081.db2.gz WVZLIKICPCKCPW-MELADBBJSA-N 0 1 248.370 2.038 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CCC[C@@H]2CCOC2)n1 ZINC000828127212 587420313 /nfs/dbraw/zinc/42/03/13/587420313.db2.gz GWSBLQJMEPCTFH-CHWSQXEVSA-N 0 1 249.358 2.363 20 0 BEADMN CN(C[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1)C(=O)[O-] ZINC000828217807 587424340 /nfs/dbraw/zinc/42/43/40/587424340.db2.gz AHBFMCQHICOEFM-RYUDHWBXSA-N 0 1 238.331 2.169 20 0 BEADMN C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828274204 587430178 /nfs/dbraw/zinc/43/01/78/587430178.db2.gz UCYROISOVODXGD-JTQLQIEISA-N 0 1 228.336 2.107 20 0 BEADMN C[N@@H+](CCC1CC1)C1CCC(NC(=O)[O-])CC1 ZINC000828274264 587430275 /nfs/dbraw/zinc/43/02/75/587430275.db2.gz VEDXHGBTDVXEFF-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CCON(CC)C(=O)c1cc(F)cc(F)c1O ZINC000828734160 587459553 /nfs/dbraw/zinc/45/95/53/587459553.db2.gz ZGLCKZSOCAWPAI-UHFFFAOYSA-N 0 1 245.225 2.084 20 0 BEADMN C[C@@H]1CCC[C@@H](C2CN(C(=O)c3cnc[nH]3)C2)C1 ZINC000829129409 587483844 /nfs/dbraw/zinc/48/38/44/587483844.db2.gz IERBCPXAFIANLV-GHMZBOCLSA-N 0 1 247.342 2.308 20 0 BEADMN CC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829608516 587505698 /nfs/dbraw/zinc/50/56/98/587505698.db2.gz KRSSXPMTJWRXEB-SNVBAGLBSA-N 0 1 247.216 2.181 20 0 BEADMN C[C@@H](CNC(=O)c1coc(CN)c1)C(C)(C)C ZINC000829693871 587509991 /nfs/dbraw/zinc/50/99/91/587509991.db2.gz SFJZJTLSJAWWMT-VIFPVBQESA-N 0 1 238.331 2.150 20 0 BEADMN C[C@H](CNC(=O)c1coc(CN)c1)C(C)(C)C ZINC000829693870 587510027 /nfs/dbraw/zinc/51/00/27/587510027.db2.gz SFJZJTLSJAWWMT-SECBINFHSA-N 0 1 238.331 2.150 20 0 BEADMN FCCN1CCC[C@H](c2ccncc2)C1 ZINC000829816454 587520290 /nfs/dbraw/zinc/52/02/90/587520290.db2.gz BRBAVAVSPLTEIJ-LBPRGKRZSA-N 0 1 208.280 2.231 20 0 BEADMN Cc1ccccc1OCCN(C(C)C)C1COC1 ZINC000830217195 587541691 /nfs/dbraw/zinc/54/16/91/587541691.db2.gz FIZVOKHNSNLJLY-UHFFFAOYSA-N 0 1 249.354 2.483 20 0 BEADMN CC(C)C(=O)CCN1CCOC[C@@H]1C1CCC1 ZINC000830213286 587541916 /nfs/dbraw/zinc/54/19/16/587541916.db2.gz ACHMJSDMKCJMPG-CYBMUJFWSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000830307694 587545464 /nfs/dbraw/zinc/54/54/64/587545464.db2.gz DUEBHVRNYZHGOH-ZDUSSCGKSA-N 0 1 248.326 2.227 20 0 BEADMN CC[C@H](C)N(OC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000830472905 587553098 /nfs/dbraw/zinc/55/30/98/587553098.db2.gz BXUHECULXZFXIK-SDDRHHMPSA-N 0 1 242.363 2.048 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000830498177 587554503 /nfs/dbraw/zinc/55/45/03/587554503.db2.gz NOUWPWDSJRWDGU-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN Cn1cnc(CNC[C@]2(C)CC2(Cl)Cl)c1 ZINC000830549265 587557427 /nfs/dbraw/zinc/55/74/27/587557427.db2.gz KTUQACFYRYPSRW-VIFPVBQESA-N 0 1 248.157 2.094 20 0 BEADMN Cc1nonc1CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831005869 587582474 /nfs/dbraw/zinc/58/24/74/587582474.db2.gz RABBIOZCNNDQHH-UHXUPSOCSA-N 0 1 245.326 2.022 20 0 BEADMN CCON(CC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000831459199 587610094 /nfs/dbraw/zinc/61/00/94/587610094.db2.gz WLYPQJHONOIMCH-UHFFFAOYSA-N 0 1 247.298 2.285 20 0 BEADMN CCc1ccc(CC(=O)NOC2CCCC2)nc1 ZINC000831701806 587627921 /nfs/dbraw/zinc/62/79/21/587627921.db2.gz HHPYNUYHWQSNJJ-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN CCC(=O)CC[N@H+]1CCOCC12CCCCC2 ZINC000832179862 587648666 /nfs/dbraw/zinc/64/86/66/587648666.db2.gz HDNJSTHTMATUGZ-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN CCC(=O)CCN1CCOCC12CCCCC2 ZINC000832179862 587648667 /nfs/dbraw/zinc/64/86/67/587648667.db2.gz HDNJSTHTMATUGZ-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nonc2C)C1 ZINC000832468160 587661927 /nfs/dbraw/zinc/66/19/27/587661927.db2.gz FOFOZMORTHYFKA-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN CCn1nc(C)c(CN2[C@@H](C)CCC2(C)C)n1 ZINC000832566048 587666766 /nfs/dbraw/zinc/66/67/66/587666766.db2.gz ZBNHFLIWCWLUCM-JTQLQIEISA-N 0 1 236.363 2.369 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000833172619 587700796 /nfs/dbraw/zinc/70/07/96/587700796.db2.gz KNDQCHOFUPWYFJ-ICCXJUOJSA-N 0 1 249.285 2.436 20 0 BEADMN C/C(=C/C[N@@H+](Cc1ccccn1)C1CC1)C(=O)[O-] ZINC000833385573 587712759 /nfs/dbraw/zinc/71/27/59/587712759.db2.gz VZMSDGMDKXXEQQ-XFFZJAGNSA-N 0 1 246.310 2.077 20 0 BEADMN C[C@H](Oc1ccc(C[N@@H+](C)C2CC2)cc1)C(=O)[O-] ZINC000833536383 587719236 /nfs/dbraw/zinc/71/92/36/587719236.db2.gz BRJMYWLAVSUPON-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)[C@H](C)C(C)C)O1 ZINC000833576411 587720849 /nfs/dbraw/zinc/72/08/49/587720849.db2.gz JOYMGOTXIILASQ-MWLCHTKSSA-N 0 1 241.331 2.110 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)CCC(C)C)O1 ZINC000833579135 587721319 /nfs/dbraw/zinc/72/13/19/587721319.db2.gz XUBYNLOQFGIDSZ-NSHDSACASA-N 0 1 241.331 2.112 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833601980 587723220 /nfs/dbraw/zinc/72/32/20/587723220.db2.gz GHLDQYZACQVWTP-DTORHVGOSA-N 0 1 222.288 2.086 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833611980 587724392 /nfs/dbraw/zinc/72/43/92/587724392.db2.gz LRLKWRXNJNUGMY-SNVBAGLBSA-N 0 1 236.315 2.477 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833616191 587724525 /nfs/dbraw/zinc/72/45/25/587724525.db2.gz XGMDHBZRDJBWMT-VIFPVBQESA-N 0 1 222.288 2.087 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H]1C(=O)[O-] ZINC000833629805 587724631 /nfs/dbraw/zinc/72/46/31/587724631.db2.gz MOSFKDBATMTOPI-IONNQARKSA-N 0 1 243.690 2.086 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000833642323 587726220 /nfs/dbraw/zinc/72/62/20/587726220.db2.gz KYPSRNBKJWPKGR-LBPRGKRZSA-N 0 1 245.363 2.233 20 0 BEADMN CCc1ncc(C[N@H+](C)C(C)(C)C(=O)[O-])s1 ZINC000833677063 587727670 /nfs/dbraw/zinc/72/76/70/587727670.db2.gz AZYSVUYZRFHEEX-UHFFFAOYSA-N 0 1 242.344 2.001 20 0 BEADMN CCc1ncc(C[N@@H+](C)C(C)(C)C(=O)[O-])s1 ZINC000833677063 587727672 /nfs/dbraw/zinc/72/76/72/587727672.db2.gz AZYSVUYZRFHEEX-UHFFFAOYSA-N 0 1 242.344 2.001 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000833795112 587732495 /nfs/dbraw/zinc/73/24/95/587732495.db2.gz UJHLGZYDFDUCDD-QWRGUYRKSA-N 0 1 228.336 2.011 20 0 BEADMN O=C([O-])N1CCC[C@H]1C[N@H+]1CCC2(CCC2)C1 ZINC000834111458 587746261 /nfs/dbraw/zinc/74/62/61/587746261.db2.gz MNSLWFHWKCKCOW-NSHDSACASA-N 0 1 238.331 2.005 20 0 BEADMN Cc1nc(COC(=O)C2=CCC(C)(C)CC2)n[nH]1 ZINC000835222321 587790194 /nfs/dbraw/zinc/79/01/94/587790194.db2.gz CVROLONZEYWCNK-UHFFFAOYSA-N 0 1 249.314 2.293 20 0 BEADMN CC[C@H](C)[C@H](CC)OC(=O)CCc1nc[nH]n1 ZINC000835588991 587808254 /nfs/dbraw/zinc/80/82/54/587808254.db2.gz MTDUCJCAUNISDA-UWVGGRQHSA-N 0 1 239.319 2.105 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(CC)C[C@H]1CC ZINC000836948584 587843794 /nfs/dbraw/zinc/84/37/94/587843794.db2.gz RTTJUMTVFXQHMW-LLBKUYECSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837003836 587846923 /nfs/dbraw/zinc/84/69/23/587846923.db2.gz AZHCUWDGJYNHKM-YLSINNKHSA-N 0 1 238.375 2.285 20 0 BEADMN C=COc1ccc(NC(=O)[C@H](C)N(C)C)cc1 ZINC000837761861 587894200 /nfs/dbraw/zinc/89/42/00/587894200.db2.gz QAEJKTBWTZFTBU-JTQLQIEISA-N 0 1 234.299 2.098 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000840564386 587912127 /nfs/dbraw/zinc/91/21/27/587912127.db2.gz FFJDHZQMEZWBRX-SSDOTTSWSA-N 0 1 237.303 2.154 20 0 BEADMN C[C@H](NCCNc1ccccc1)c1ccn(C)n1 ZINC000840724334 587917965 /nfs/dbraw/zinc/91/79/65/587917965.db2.gz KALBSNLQNCCNFC-LBPRGKRZSA-N 0 1 244.342 2.183 20 0 BEADMN C[C@H](NCCOC1CCC1)c1cc2n(n1)CCC2 ZINC000840737157 587919197 /nfs/dbraw/zinc/91/91/97/587919197.db2.gz KPKJXZAVXYAWOI-NSHDSACASA-N 0 1 249.358 2.049 20 0 BEADMN C[C@@H](NC[C@@H]1CCC=CO1)c1cc2n(n1)CCC2 ZINC000840747777 587919533 /nfs/dbraw/zinc/91/95/33/587919533.db2.gz XSPOGDSQLVJBFS-YPMHNXCESA-N 0 1 247.342 2.173 20 0 BEADMN CCn1nc(C)c(-c2nc3cccc(C)c3[nH]2)n1 ZINC000840762029 587920686 /nfs/dbraw/zinc/92/06/86/587920686.db2.gz IYXYGMXBZLCYHD-UHFFFAOYSA-N 0 1 241.298 2.458 20 0 BEADMN CCCNC(=S)Nc1ccc(F)c(F)c1O ZINC000840839897 587924659 /nfs/dbraw/zinc/92/46/59/587924659.db2.gz VXDPCNWPCRHTHS-UHFFFAOYSA-N 0 1 246.282 2.367 20 0 BEADMN c1cn(C2CC2)c(NCc2ccoc2)n1 ZINC000840887070 587927934 /nfs/dbraw/zinc/92/79/34/587927934.db2.gz GXUCJHXMYWFMNJ-UHFFFAOYSA-N 0 1 203.245 2.423 20 0 BEADMN CCCC(N)=NOCCC1CCOCC1 ZINC000842027900 587990564 /nfs/dbraw/zinc/99/05/64/587990564.db2.gz GMXYTILWGWGBAW-UHFFFAOYSA-N 0 1 214.309 2.102 20 0 BEADMN CC[C@@H](COC(=O)[C@H](CC)N(CC)CC)OC ZINC000842079518 587996797 /nfs/dbraw/zinc/99/67/97/587996797.db2.gz ARDHSUPKJVIZNC-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN FCCN1CCSC[C@@H]1C1CCC1 ZINC000842170465 588006080 /nfs/dbraw/zinc/00/60/80/588006080.db2.gz GQTXCNBDZRPAJR-SNVBAGLBSA-N 0 1 203.326 2.173 20 0 BEADMN NC1(c2noc(CSC(F)F)n2)CCCC1 ZINC000842593242 588044737 /nfs/dbraw/zinc/04/47/37/588044737.db2.gz WIJRSTLEIYPECY-UHFFFAOYSA-N 0 1 249.286 2.253 20 0 BEADMN CCCN(C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842594821 588044906 /nfs/dbraw/zinc/04/49/06/588044906.db2.gz PVOYQBNZULGCEU-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@@H]1CCN(CN(C)CCC(C)(C)C)C1=O ZINC000842630338 588046778 /nfs/dbraw/zinc/04/67/78/588046778.db2.gz AXPTVFBQJUDVJS-LLVKDONJSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)c1ccccn1 ZINC000842637081 588047456 /nfs/dbraw/zinc/04/74/56/588047456.db2.gz QEUCDYTVMUQWDW-MWLCHTKSSA-N 0 1 244.298 2.041 20 0 BEADMN CC(C)[C@H](F)c1nc([C@H]2CCCN2)no1 ZINC000842636815 588047683 /nfs/dbraw/zinc/04/76/83/588047683.db2.gz GCCDFPIHOTXWMW-SFYZADRCSA-N 0 1 213.256 2.161 20 0 BEADMN Cc1cnc(-c2nc([C@H]3CCCN3)no2)c(C)c1 ZINC000842638102 588047810 /nfs/dbraw/zinc/04/78/10/588047810.db2.gz IBGJUEJYYJGPJG-SNVBAGLBSA-N 0 1 244.298 2.173 20 0 BEADMN CCN(CCSC)CN1C(=O)CCC1(C)C ZINC000842645191 588048202 /nfs/dbraw/zinc/04/82/02/588048202.db2.gz BKXFBNAQTBHAQM-UHFFFAOYSA-N 0 1 244.404 2.030 20 0 BEADMN Cc1ccc(N)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000842642698 588048401 /nfs/dbraw/zinc/04/84/01/588048401.db2.gz KJOCQTRDZLKZPA-NSHDSACASA-N 0 1 244.298 2.052 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ncc[nH]1 ZINC000842920732 588071945 /nfs/dbraw/zinc/07/19/45/588071945.db2.gz KXZLBOVYLSKOOT-MXWKQRLJSA-N 0 1 237.347 2.406 20 0 BEADMN Cc1nscc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843148892 588086724 /nfs/dbraw/zinc/08/67/24/588086724.db2.gz FRAWWZSPDZTFAW-QMMMGPOBSA-N 0 1 238.316 2.157 20 0 BEADMN CC(C)CO[C@@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843147601 588087096 /nfs/dbraw/zinc/08/70/96/588087096.db2.gz BNKCRDZRTSRFMM-VHSXEESVSA-N 0 1 241.335 2.459 20 0 BEADMN COCCC[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843150853 588087662 /nfs/dbraw/zinc/08/76/62/588087662.db2.gz LICUKMBPMIDCCY-VHSXEESVSA-N 0 1 241.335 2.256 20 0 BEADMN CC(C)[C@H](N)c1noc(CCc2ccoc2)n1 ZINC000843151194 588087676 /nfs/dbraw/zinc/08/76/76/588087676.db2.gz MZBRJQLWGCGIAV-NSHDSACASA-N 0 1 235.287 2.104 20 0 BEADMN CCON(C(=O)c1c(O)cccc1F)C(C)C ZINC000844075638 588160460 /nfs/dbraw/zinc/16/04/60/588160460.db2.gz ROLPHQARFUFFSE-UHFFFAOYSA-N 0 1 241.262 2.333 20 0 BEADMN CCON(C(=O)[C@@H]1CCCCN1CC)C(C)C ZINC000844077279 588160823 /nfs/dbraw/zinc/16/08/23/588160823.db2.gz GYHILJBOFLCWSA-LBPRGKRZSA-N 0 1 242.363 2.049 20 0 BEADMN CCCONC(=O)Cc1cc2ccccc2o1 ZINC000844082727 588162151 /nfs/dbraw/zinc/16/21/51/588162151.db2.gz DSIZQSVGQQLUGV-UHFFFAOYSA-N 0 1 233.267 2.433 20 0 BEADMN CC[C@H]1COC(C)(C)CN1CCC(=O)C1CC1 ZINC000844386927 588187515 /nfs/dbraw/zinc/18/75/15/588187515.db2.gz QCISYZDYLBHUQX-LBPRGKRZSA-N 0 1 239.359 2.245 20 0 BEADMN CCC(=O)CCN1C[C@H](CC)OC[C@@H]1CC ZINC000844387843 588188574 /nfs/dbraw/zinc/18/85/74/588188574.db2.gz UCMNWXNVKCOYJT-AAEUAGOBSA-N 0 1 227.348 2.245 20 0 BEADMN CCC(=O)CCN1C[C@H](CC)OC[C@H]1CC ZINC000844387846 588188693 /nfs/dbraw/zinc/18/86/93/588188693.db2.gz UCMNWXNVKCOYJT-YPMHNXCESA-N 0 1 227.348 2.245 20 0 BEADMN Cc1nc(C)c(CN2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000844449590 588195179 /nfs/dbraw/zinc/19/51/79/588195179.db2.gz GWFRLQITZYUHTB-DTORHVGOSA-N 0 1 244.310 2.457 20 0 BEADMN CC(C)CN(C)CN1C(=O)CC12CCCC2 ZINC000844686468 588213741 /nfs/dbraw/zinc/21/37/41/588213741.db2.gz ABLGTJQEJPNYCQ-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccnc1Cl ZINC000844839169 588218177 /nfs/dbraw/zinc/21/81/77/588218177.db2.gz JKCJHQFMZLEXKF-VIFPVBQESA-N 0 1 242.706 2.030 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC000845496429 588230715 /nfs/dbraw/zinc/23/07/15/588230715.db2.gz LXONSRBYMVRJIJ-QWHCGFSZSA-N 0 1 247.342 2.025 20 0 BEADMN CS[C@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733672 588242829 /nfs/dbraw/zinc/24/28/29/588242829.db2.gz CSLKLBBIPXKRJI-NXEZZACHSA-N 0 1 245.388 2.154 20 0 BEADMN C/C=C(/C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845735602 588243178 /nfs/dbraw/zinc/24/31/78/588243178.db2.gz YJFKFFVOLXRYQC-SDKXAQGSSA-N 0 1 225.332 2.369 20 0 BEADMN CC[C@@]1(C)CCC[C@@H]1NCc1nonc1C ZINC000845970144 588252171 /nfs/dbraw/zinc/25/21/71/588252171.db2.gz KSGZSQKBOBGZKS-RYUDHWBXSA-N 0 1 223.320 2.436 20 0 BEADMN C[C@]1(CCNCc2cocn2)C[C@@]1(F)Cl ZINC000846033618 588254183 /nfs/dbraw/zinc/25/41/83/588254183.db2.gz GSLNWAQIFLLLOU-UWVGGRQHSA-N 0 1 232.686 2.469 20 0 BEADMN FC1(F)[C@H]2CN(Cc3cnn4ccccc34)C[C@H]21 ZINC000846112178 588257362 /nfs/dbraw/zinc/25/73/62/588257362.db2.gz QBNCXIRZWRXSGE-PHIMTYICSA-N 0 1 249.264 2.031 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCc3c(F)cccc3C2)CC1 ZINC000846245424 588262631 /nfs/dbraw/zinc/26/26/31/588262631.db2.gz GIYNXYZAMQSCNO-UHFFFAOYSA-N 0 1 249.285 2.049 20 0 BEADMN COCC[N@@H+](CCC(=O)[O-])C[C@H](C)CC(C)C ZINC000846271473 588263269 /nfs/dbraw/zinc/26/32/69/588263269.db2.gz GXVKHUBIZMISKG-GFCCVEGCSA-N 0 1 245.363 2.092 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc2c(c1)COC2 ZINC000846266204 588263431 /nfs/dbraw/zinc/26/34/31/588263431.db2.gz WBJSBFTWYCYLIW-UHFFFAOYSA-N 0 1 249.310 2.013 20 0 BEADMN CN(C[C@H]1CCCO1)CC1(Br)CC1 ZINC000846775403 588287561 /nfs/dbraw/zinc/28/75/61/588287561.db2.gz LYQFCHLNJFRUFN-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN COCCCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846781814 588288112 /nfs/dbraw/zinc/28/81/12/588288112.db2.gz WWWLZNPATXDKLZ-UHFFFAOYSA-N 0 1 246.713 2.342 20 0 BEADMN C[N@@H+](CC1(Br)CC1)C1CCC1 ZINC000846807934 588289969 /nfs/dbraw/zinc/28/99/69/588289969.db2.gz WUGDDTBHZLMRDN-UHFFFAOYSA-N 0 1 218.138 2.398 20 0 BEADMN C[N@H+]1CCN(C/C(Cl)=C\Cl)CC1(C)C ZINC000846888943 588295555 /nfs/dbraw/zinc/29/55/55/588295555.db2.gz MEDBPHBZZZXJIG-RMKNXTFCSA-N 0 1 237.174 2.331 20 0 BEADMN CN1CCN(C/C(Cl)=C\Cl)CC1(C)C ZINC000846888943 588295556 /nfs/dbraw/zinc/29/55/56/588295556.db2.gz MEDBPHBZZZXJIG-RMKNXTFCSA-N 0 1 237.174 2.331 20 0 BEADMN CCN(CC1(Br)CC1)[C@@H]1CCOC1 ZINC000846913429 588296509 /nfs/dbraw/zinc/29/65/09/588296509.db2.gz BNISBVIONQRIDK-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN CON1CCN(CCCc2ccccc2C)CC1 ZINC000846975473 588299623 /nfs/dbraw/zinc/29/96/23/588299623.db2.gz GNNJWQNCGPQMAG-UHFFFAOYSA-N 0 1 248.370 2.107 20 0 BEADMN CC[C@H](NCc1cnsn1)[C@@H]1CC1(C)C ZINC000846999193 588301143 /nfs/dbraw/zinc/30/11/43/588301143.db2.gz GQPNRKKQVSQEGV-UWVGGRQHSA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@@H](NCc1cnsn1)[C@H]1CC1(C)C ZINC000846999190 588301179 /nfs/dbraw/zinc/30/11/79/588301179.db2.gz GQPNRKKQVSQEGV-NXEZZACHSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1nnc(NC(=O)CCC[Si](C)(C)C)[nH]1 ZINC000847439035 588313477 /nfs/dbraw/zinc/31/34/77/588313477.db2.gz QRAMEOWXZNKASD-UHFFFAOYSA-N 0 1 240.383 2.170 20 0 BEADMN CCC(CC)(CO)C(=O)NOC1CCCCC1 ZINC000847772133 588329436 /nfs/dbraw/zinc/32/94/36/588329436.db2.gz MTWVBHPNKYSBQG-UHFFFAOYSA-N 0 1 243.347 2.166 20 0 BEADMN C/C=C(\C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013329 588347223 /nfs/dbraw/zinc/34/72/23/588347223.db2.gz WMHLLRPAHOQGQM-FPYGCLRLSA-N 0 1 220.272 2.297 20 0 BEADMN O=C(/C=C\C1CC1)OCc1cc(C2CC2)[nH]n1 ZINC000848013335 588347581 /nfs/dbraw/zinc/34/75/81/588347581.db2.gz LMGNSIXIXCNOES-UTCJRWHESA-N 0 1 232.283 2.297 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)C1=CCCC1 ZINC000848013073 588347627 /nfs/dbraw/zinc/34/76/27/588347627.db2.gz IDMPVNWBEQJBFZ-UHFFFAOYSA-N 0 1 232.283 2.441 20 0 BEADMN CCC(C)(C)N1CCN(C(=O)C(C)(C)F)CC1 ZINC000848302892 588371604 /nfs/dbraw/zinc/37/16/04/588371604.db2.gz PNDJSTAONJIIAB-UHFFFAOYSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1cc(C)cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000107656826 588392663 /nfs/dbraw/zinc/39/26/63/588392663.db2.gz IXARQPNMFJPCPY-VXGBXAGGSA-N 0 1 249.266 2.012 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@H]1CCC=CO1)CCC2 ZINC000848547967 588396083 /nfs/dbraw/zinc/39/60/83/588396083.db2.gz SSTSLWCZQMAXPM-NEPJUHHUSA-N 0 1 233.315 2.000 20 0 BEADMN CCCN(Cc1cnc(Cl)n1C)C1CC1 ZINC000848880440 588415836 /nfs/dbraw/zinc/41/58/36/588415836.db2.gz DPSXPEXKTWJOBS-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cnc(Cl)n2C)C1 ZINC000848888630 588417413 /nfs/dbraw/zinc/41/74/13/588417413.db2.gz XXAQYQFMAHJKIQ-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN CC(C)c1ccccc1CN(C)[C@H]1CCNC1=O ZINC000848890913 588417852 /nfs/dbraw/zinc/41/78/52/588417852.db2.gz VPZYRWQKORHKCO-AWEZNQCLSA-N 0 1 246.354 2.130 20 0 BEADMN CC(C)(C)c1nnc(NCC(F)(F)F)o1 ZINC000849161531 588458326 /nfs/dbraw/zinc/45/83/26/588458326.db2.gz NDBNZOCWDQCVQF-UHFFFAOYSA-N 0 1 223.198 2.341 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2Cc1ccc(CF)cc1 ZINC000849345540 588474299 /nfs/dbraw/zinc/47/42/99/588474299.db2.gz XNUZMTJRUCBDGX-UHFFFAOYSA-N 0 1 249.285 2.205 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2occc2C)n[nH]1 ZINC000849642115 588483673 /nfs/dbraw/zinc/48/36/73/588483673.db2.gz JGQRIGVOQFJJHQ-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCC/C=C\C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849693984 588486786 /nfs/dbraw/zinc/48/67/86/588486786.db2.gz BPRJHZLWTOCEFO-FUOZMLNRSA-N 0 1 237.303 2.328 20 0 BEADMN CCC/C=C/C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849693983 588486806 /nfs/dbraw/zinc/48/68/06/588486806.db2.gz BPRJHZLWTOCEFO-FLOXNTQESA-N 0 1 237.303 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C=C2CCCC2)n[nH]1 ZINC000849706158 588488106 /nfs/dbraw/zinc/48/81/06/588488106.db2.gz JNFGNDZGIUFPTR-SECBINFHSA-N 0 1 249.314 2.472 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2=CCCC2)n[nH]1 ZINC000849744583 588492790 /nfs/dbraw/zinc/49/27/90/588492790.db2.gz SJTAFSUIDAIYJQ-MRVPVSSYSA-N 0 1 235.287 2.082 20 0 BEADMN CCc1nc([C@H](C)OC(=O)/C=C/C(C)C)n[nH]1 ZINC000849765156 588495602 /nfs/dbraw/zinc/49/56/02/588495602.db2.gz VWQRMKHFXOXQNW-UCUJLANTSA-N 0 1 237.303 2.184 20 0 BEADMN C/C(=C/Cl)CSCCc1c[nH]nn1 ZINC000849894449 588508755 /nfs/dbraw/zinc/50/87/55/588508755.db2.gz AXRBCYPBWPRQCU-DAXSKMNVSA-N 0 1 217.725 2.223 20 0 BEADMN Cc1nc(COC(=O)[C@@]2(C)CC=C(C)CC2)n[nH]1 ZINC000850098184 588520146 /nfs/dbraw/zinc/52/01/46/588520146.db2.gz STHMESTVDYLXFG-ZDUSSCGKSA-N 0 1 249.314 2.293 20 0 BEADMN C[C@@H](NCc1ccnn1CC1CC1)c1ccc[nH]1 ZINC000850228273 588530752 /nfs/dbraw/zinc/53/07/52/588530752.db2.gz CHBSVOTVZLOGIS-LLVKDONJSA-N 0 1 244.342 2.472 20 0 BEADMN FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccoc1 ZINC000850378905 588542311 /nfs/dbraw/zinc/54/23/11/588542311.db2.gz WSUVBUJXFNQIAY-MNOVXSKESA-N 0 1 243.253 2.184 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1COC2(CCC2)C1 ZINC000850471714 588548970 /nfs/dbraw/zinc/54/89/70/588548970.db2.gz CCZXCONYOPKFED-LLVKDONJSA-N 0 1 248.326 2.353 20 0 BEADMN COC(=O)c1coc([C@@H](C)N[C@@H]2C=CCC2)c1 ZINC000850509999 588554701 /nfs/dbraw/zinc/55/47/01/588554701.db2.gz QPIOFOVQZXACME-MWLCHTKSSA-N 0 1 235.283 2.435 20 0 BEADMN C1=C[C@@H](N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000850510876 588555123 /nfs/dbraw/zinc/55/51/23/588555123.db2.gz XBZREBHILUJUPI-OLZOCXBDSA-N 0 1 240.310 2.202 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2COC3(CCC3)C2)nn1C ZINC000850524387 588556919 /nfs/dbraw/zinc/55/69/19/588556919.db2.gz XKPMIJMCLLCXMS-RYUDHWBXSA-N 0 1 249.358 2.091 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ncc[nH]1 ZINC000850534875 588558223 /nfs/dbraw/zinc/55/82/23/588558223.db2.gz OVTRAXWDFZWOBD-VWYCJHECSA-N 0 1 223.320 2.018 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ncc[nH]1 ZINC000850534873 588558344 /nfs/dbraw/zinc/55/83/44/588558344.db2.gz OVTRAXWDFZWOBD-MXWKQRLJSA-N 0 1 223.320 2.018 20 0 BEADMN CC1(C)[C@H](NCc2ncccn2)[C@@H]2CCC[C@@H]21 ZINC000850553354 588560107 /nfs/dbraw/zinc/56/01/07/588560107.db2.gz WXVNEUSRYUHOQG-NTZNESFSSA-N 0 1 231.343 2.391 20 0 BEADMN CC(C)c1ccccc1C(=O)OCc1c[nH]nn1 ZINC000851017080 588584309 /nfs/dbraw/zinc/58/43/09/588584309.db2.gz AOMNMBWNPSVEHL-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(C)c1cccc(C(=O)OCc2c[nH]nn2)c1 ZINC000851017096 588584347 /nfs/dbraw/zinc/58/43/47/588584347.db2.gz BBWKEFCCZUBCFX-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCCF ZINC000851105547 588591401 /nfs/dbraw/zinc/59/14/01/588591401.db2.gz WKOMUYMNYDCLPV-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN O=C(OC[C@@H]1CCN1Cc1ccccc1)C1CC1 ZINC000851464959 588606425 /nfs/dbraw/zinc/60/64/25/588606425.db2.gz AMPGXNJMOSNDSA-AWEZNQCLSA-N 0 1 245.322 2.214 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C/C=C\Cl)C1CCC1 ZINC000851707566 588615210 /nfs/dbraw/zinc/61/52/10/588615210.db2.gz GICOSJGQAWMLRL-WAXIIBMWSA-N 0 1 217.696 2.067 20 0 BEADMN CC(C)(C)SCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000851707147 588615353 /nfs/dbraw/zinc/61/53/53/588615353.db2.gz UGHNLPWSTIGYHN-UHFFFAOYSA-N 0 1 245.388 2.457 20 0 BEADMN FC(F)OCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000851712756 588615922 /nfs/dbraw/zinc/61/59/22/588615922.db2.gz SRIQPLVTXPMQBW-SSDOTTSWSA-N 0 1 247.207 2.500 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)Cc2cnon2)C1 ZINC000851727421 588618720 /nfs/dbraw/zinc/61/87/20/588618720.db2.gz MQQCKLJVUWZUBC-MWLCHTKSSA-N 0 1 209.293 2.080 20 0 BEADMN Cc1ccc(CN(C[C@@H]2CCC(=O)O2)C2CC2)o1 ZINC000851729127 588618887 /nfs/dbraw/zinc/61/88/87/588618887.db2.gz ZIKWTTFLXDBJQC-ZDUSSCGKSA-N 0 1 249.310 2.258 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@H]1COC(C)(C)O1 ZINC000851738054 588621088 /nfs/dbraw/zinc/62/10/88/588621088.db2.gz AGSDXXMCHCXPBH-MNOVXSKESA-N 0 1 239.315 2.424 20 0 BEADMN CCN(Cc1cccc(F)n1)C[C@H]1CCCO1 ZINC000851740654 588621380 /nfs/dbraw/zinc/62/13/80/588621380.db2.gz VASPMEDIHZNMBB-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(CCOC(F)F)Cc1ccoc1 ZINC000851746484 588622360 /nfs/dbraw/zinc/62/23/60/588622360.db2.gz MHTGYFBNUSTGFY-UHFFFAOYSA-N 0 1 219.231 2.341 20 0 BEADMN CC[C@H](C)[C@@H](C)N(Cc1cnon1)C1CC1 ZINC000851753123 588623606 /nfs/dbraw/zinc/62/36/06/588623606.db2.gz OENOGQXSQDRPSC-VHSXEESVSA-N 0 1 223.320 2.469 20 0 BEADMN CC[C@@H]1CCCN(Cc2cnon2)CC1 ZINC000851775998 588626579 /nfs/dbraw/zinc/62/65/79/588626579.db2.gz CGDCBRRHQSAHGS-SNVBAGLBSA-N 0 1 209.293 2.082 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cnon1 ZINC000851774576 588626691 /nfs/dbraw/zinc/62/66/91/588626691.db2.gz KSWGEAIOCZAIGO-YPMHNXCESA-N 0 1 243.310 2.448 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1Cc1cnon1 ZINC000851781385 588627369 /nfs/dbraw/zinc/62/73/69/588627369.db2.gz VXRCWJLSCVVUOH-JQWIXIFHSA-N 0 1 223.320 2.470 20 0 BEADMN Cn1cnc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000851805646 588631235 /nfs/dbraw/zinc/63/12/35/588631235.db2.gz DNIHJDTVHACSHL-OAHLLOKOSA-N 0 1 241.338 2.237 20 0 BEADMN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cnon1 ZINC000851805210 588631339 /nfs/dbraw/zinc/63/13/39/588631339.db2.gz ONFISZAZZABDAV-BXUZGUMPSA-N 0 1 243.310 2.448 20 0 BEADMN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cnon1 ZINC000851805211 588631458 /nfs/dbraw/zinc/63/14/58/588631458.db2.gz ONFISZAZZABDAV-FZMZJTMJSA-N 0 1 243.310 2.448 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1Cc1cnon1 ZINC000851848390 588634543 /nfs/dbraw/zinc/63/45/43/588634543.db2.gz JBNABTJXPNDTTF-ZYHUDNBSSA-N 0 1 223.320 2.470 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1Cc1cnon1 ZINC000851848389 588634666 /nfs/dbraw/zinc/63/46/66/588634666.db2.gz JBNABTJXPNDTTF-PWSUYJOCSA-N 0 1 223.320 2.470 20 0 BEADMN CC(C)=CCCN(CCS(C)(=O)=O)C(C)C ZINC000851865777 588636808 /nfs/dbraw/zinc/63/68/08/588636808.db2.gz DAMOTVJRVUMACZ-UHFFFAOYSA-N 0 1 247.404 2.098 20 0 BEADMN C[C@H](c1ccccn1)N(C)CCOC(F)F ZINC000851872931 588637524 /nfs/dbraw/zinc/63/75/24/588637524.db2.gz NTKBNHFONLYOCA-SECBINFHSA-N 0 1 230.258 2.314 20 0 BEADMN C[C@@H](c1cccnc1)N(C)CCOC(F)F ZINC000851873401 588637655 /nfs/dbraw/zinc/63/76/55/588637655.db2.gz XIIYMZUPLIMVQM-VIFPVBQESA-N 0 1 230.258 2.314 20 0 BEADMN C[C@H](NCc1cnon1)[C@@H](C)c1ccccc1 ZINC000851909190 588642347 /nfs/dbraw/zinc/64/23/47/588642347.db2.gz YKQOKZJSMGNGGX-MNOVXSKESA-N 0 1 231.299 2.351 20 0 BEADMN CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000851909374 588642445 /nfs/dbraw/zinc/64/24/45/588642445.db2.gz CZIAVYCRUYJUHV-YFKTTZPYSA-N 0 1 215.312 2.234 20 0 BEADMN CC[C@H](C)[C@@H](NCC1CC=CC1)C(=O)OC ZINC000851928791 588645006 /nfs/dbraw/zinc/64/50/06/588645006.db2.gz QHIHZRUWDMKSIH-CMPLNLGQSA-N 0 1 225.332 2.130 20 0 BEADMN CCS[C@@H]1CCCC[C@@H]1NCc1cnon1 ZINC000851950905 588647173 /nfs/dbraw/zinc/64/71/73/588647173.db2.gz ANROZFMSTSEUSL-WDEREUQCSA-N 0 1 241.360 2.224 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)Cc1cnon1 ZINC000851965958 588648359 /nfs/dbraw/zinc/64/83/59/588648359.db2.gz AYZORHJZEFMDPQ-MWLCHTKSSA-N 0 1 209.293 2.080 20 0 BEADMN CC(C)N(Cc1cnon1)CC1CCC1 ZINC000851989262 588652150 /nfs/dbraw/zinc/65/21/50/588652150.db2.gz HAYICIXEYGLICP-UHFFFAOYSA-N 0 1 209.293 2.080 20 0 BEADMN OC1(c2ccccc2)CN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852046361 588657370 /nfs/dbraw/zinc/65/73/70/588657370.db2.gz RHNNKOFSJXGYHO-BTTYYORXSA-N 0 1 243.350 2.236 20 0 BEADMN C[C@H]1CN(CCOC(F)F)CCC1(F)F ZINC000852058430 588658336 /nfs/dbraw/zinc/65/83/36/588658336.db2.gz XHKGHMJMCLBUBR-ZETCQYMHSA-N 0 1 229.217 2.203 20 0 BEADMN CS[C@@H]1CCN(Cc2cccc(F)n2)C1 ZINC000852114330 588664600 /nfs/dbraw/zinc/66/46/00/588664600.db2.gz QVKZTYJLFDQUID-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN C[C@H](NCc1cnon1)[C@@H]1CCC[C@H](C)C1 ZINC000852150531 588667720 /nfs/dbraw/zinc/66/77/20/588667720.db2.gz ZHBDIVDLVQVBCJ-GARJFASQSA-N 0 1 223.320 2.374 20 0 BEADMN CC(C)C(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219094 588673651 /nfs/dbraw/zinc/67/36/51/588673651.db2.gz ILVCEQKRKHNJPH-RYUDHWBXSA-N 0 1 209.333 2.476 20 0 BEADMN c1nonc1CN1CC[C@H](C2CCCCC2)C1 ZINC000852488911 588685428 /nfs/dbraw/zinc/68/54/28/588685428.db2.gz CTFQJQQBOAYGJY-LBPRGKRZSA-N 0 1 235.331 2.472 20 0 BEADMN CN(C/C=C\Cl)CC1=CCCOC1 ZINC000852518745 588687120 /nfs/dbraw/zinc/68/71/20/588687120.db2.gz NALOIQHDRLTPHZ-HYXAFXHYSA-N 0 1 201.697 2.017 20 0 BEADMN C[C@H](O)[C@H]1CCCN1CC=C(Cl)Cl ZINC000852560145 588689075 /nfs/dbraw/zinc/68/90/75/588689075.db2.gz YGYLNJOSIQXPTP-JGVFFNPUSA-N 0 1 224.131 2.151 20 0 BEADMN C[C@@H](O)[C@H]1CCC[N@H+]1CC=C(Cl)Cl ZINC000852560143 588690213 /nfs/dbraw/zinc/69/02/13/588690213.db2.gz YGYLNJOSIQXPTP-HTQZYQBOSA-N 0 1 224.131 2.151 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1CC=C(Cl)Cl ZINC000852560143 588690214 /nfs/dbraw/zinc/69/02/14/588690214.db2.gz YGYLNJOSIQXPTP-HTQZYQBOSA-N 0 1 224.131 2.151 20 0 BEADMN Cc1oncc1CN1CCC2(CCCC2=O)CC1 ZINC000852630454 588693143 /nfs/dbraw/zinc/69/31/43/588693143.db2.gz DUYWIHDFLFDDQO-UHFFFAOYSA-N 0 1 248.326 2.318 20 0 BEADMN c1ccc2[nH]c(CN3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000852634885 588693344 /nfs/dbraw/zinc/69/33/44/588693344.db2.gz KAUVVSRADGWOIQ-GHMZBOCLSA-N 0 1 227.311 2.405 20 0 BEADMN Fc1ccc(CN2CC[C@H]3C[C@H]3C2)nc1 ZINC000852636190 588693755 /nfs/dbraw/zinc/69/37/55/588693755.db2.gz PSUXNYUFRBIICO-UWVGGRQHSA-N 0 1 206.264 2.063 20 0 BEADMN c1nonc1CN1CCC[C@H](C2CCC2)C1 ZINC000852672527 588694840 /nfs/dbraw/zinc/69/48/40/588694840.db2.gz FOEXIHVCUGJROO-NSHDSACASA-N 0 1 221.304 2.082 20 0 BEADMN Cc1oncc1CN1CCC(c2ccon2)CC1 ZINC000852673070 588695201 /nfs/dbraw/zinc/69/52/01/588695201.db2.gz LFKDHKSPJJYQRR-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CC[N@@H+](Cc1ccc(Cl)nc1)[C@H](C)C(=O)[O-] ZINC000852737870 588698391 /nfs/dbraw/zinc/69/83/91/588698391.db2.gz YGGDCJNRXOOQAA-MRVPVSSYSA-N 0 1 242.706 2.030 20 0 BEADMN CN(C/C=C/Cl)CC1=CCSC1 ZINC000852747363 588699382 /nfs/dbraw/zinc/69/93/82/588699382.db2.gz FZVRFKKFOMAAGN-DUXPYHPUSA-N 0 1 203.738 2.344 20 0 BEADMN CC(C)c1ccccc1C(=O)N1CCN[C@@H](C)C1 ZINC000852797692 588703749 /nfs/dbraw/zinc/70/37/49/588703749.db2.gz ZIRPFFZKQJQIQY-LBPRGKRZSA-N 0 1 246.354 2.244 20 0 BEADMN C[C@@H](CC(=O)O[C@@H](C)c1nnc[nH]1)c1ccco1 ZINC000860892908 589125990 /nfs/dbraw/zinc/12/59/90/589125990.db2.gz ZFWIMMGBPVESJP-IUCAKERBSA-N 0 1 249.270 2.196 20 0 BEADMN Cc1ccc(C(=O)OCCN2CCC2)cc1C ZINC000861384619 589162386 /nfs/dbraw/zinc/16/23/86/589162386.db2.gz FHNCDPRBFNUENF-UHFFFAOYSA-N 0 1 233.311 2.166 20 0 BEADMN CC(C)C[C@H](C)CC(=O)OCCN1CCC1 ZINC000861387050 589162461 /nfs/dbraw/zinc/16/24/61/589162461.db2.gz UPAKIIXRXZUNSQ-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H](Cc1ccccc1)C(=O)OCCN1CCC1 ZINC000861387035 589162475 /nfs/dbraw/zinc/16/24/75/589162475.db2.gz BFXLYZQMQWCSBS-ZDUSSCGKSA-N 0 1 247.338 2.114 20 0 BEADMN C[C@@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861385743 589162497 /nfs/dbraw/zinc/16/24/97/589162497.db2.gz XRJITBIQIONOFU-ZDUSSCGKSA-N 0 1 247.338 2.429 20 0 BEADMN O=C(CCCc1ccccc1)OCCN1CCC1 ZINC000861386189 589162505 /nfs/dbraw/zinc/16/25/05/589162505.db2.gz OJDYYKJEXYFLOS-UHFFFAOYSA-N 0 1 247.338 2.258 20 0 BEADMN O=C(OCCN1CCC1)C1CCCCCC1 ZINC000861386768 589162820 /nfs/dbraw/zinc/16/28/20/589162820.db2.gz NZJGXRJLWLIXQT-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)OCCN1CCC1 ZINC000861390213 589163697 /nfs/dbraw/zinc/16/36/97/589163697.db2.gz CBSWEOJGVSSEMH-LBPRGKRZSA-N 0 1 227.348 2.308 20 0 BEADMN O=C(C[C@H]1CCC(F)(F)C1)OCCN1CCC1 ZINC000861392511 589164716 /nfs/dbraw/zinc/16/47/16/589164716.db2.gz UVQKNYAAGGHMTM-SNVBAGLBSA-N 0 1 247.285 2.061 20 0 BEADMN CC1(C)CCCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861391726 589164808 /nfs/dbraw/zinc/16/48/08/589164808.db2.gz ITBFRVXYIPRVLU-GFCCVEGCSA-N 0 1 239.359 2.452 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000861762590 589177127 /nfs/dbraw/zinc/17/71/27/589177127.db2.gz ZCLBUYRLFRTPET-JXMROGBWSA-N 0 1 247.342 2.287 20 0 BEADMN CCc1cc(CNCc2ccnc(F)c2C)[nH]n1 ZINC000862280086 589198726 /nfs/dbraw/zinc/19/87/26/589198726.db2.gz VXTJXPNAQFRTLJ-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN Cc1c(CN(C)[C@@H]2CCCOC2)ccnc1F ZINC000862363946 589204050 /nfs/dbraw/zinc/20/40/50/589204050.db2.gz XNWALYSRYNNRGD-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN C[C@]1(CNC(CF)CF)CCCS1 ZINC000862381426 589206549 /nfs/dbraw/zinc/20/65/49/589206549.db2.gz AZMCPOKCUSOAKH-SECBINFHSA-N 0 1 209.305 2.169 20 0 BEADMN COC1CN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000862388654 589207258 /nfs/dbraw/zinc/20/72/58/589207258.db2.gz GLHZBTHBLWYYLJ-LBPRGKRZSA-N 0 1 219.328 2.429 20 0 BEADMN C1=C[C@@H](NCc2cnc(C3CC3)o2)CC1 ZINC000862410183 589210668 /nfs/dbraw/zinc/21/06/68/589210668.db2.gz OYIXDLGSTGIYTI-SNVBAGLBSA-N 0 1 204.273 2.360 20 0 BEADMN CCCCN(CC)CN1C[C@@H](CC)CC1=O ZINC000119181320 589247426 /nfs/dbraw/zinc/24/74/26/589247426.db2.gz KSFBWNNGMPFYEH-LBPRGKRZSA-N 0 1 226.364 2.324 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC[C@H](CC)C2)C1 ZINC000119192837 589247750 /nfs/dbraw/zinc/24/77/50/589247750.db2.gz NKNYUVZIPNYVMM-QWHCGFSZSA-N 0 1 238.375 2.324 20 0 BEADMN CCn1nccc1CNCc1ccc(O)c(F)c1 ZINC000119299573 589263345 /nfs/dbraw/zinc/26/33/45/589263345.db2.gz UQXWWHXAHADRCI-UHFFFAOYSA-N 0 1 249.289 2.038 20 0 BEADMN CN(C)C1(C(=O)Nc2ccccc2F)CCC1 ZINC000119292377 589263447 /nfs/dbraw/zinc/26/34/47/589263447.db2.gz MYRCDMXNTRIKGC-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN FC(F)(Cl)CCSc1cn[nH]n1 ZINC000863309152 589278398 /nfs/dbraw/zinc/27/83/98/589278398.db2.gz QOOFPSYPNVMBKA-UHFFFAOYSA-N 0 1 213.640 2.119 20 0 BEADMN S=c1[nH]ccn1CN1CCCC2(CC2)CC1 ZINC000863331061 589280847 /nfs/dbraw/zinc/28/08/47/589280847.db2.gz FWIFFXIJZABWDE-UHFFFAOYSA-N 0 1 237.372 2.395 20 0 BEADMN COc1cccc2c1C[N@H+](C/C=C(\C)C(=O)[O-])C2 ZINC000863475292 589291636 /nfs/dbraw/zinc/29/16/36/589291636.db2.gz KFESUFMGMPZHEH-UXBLZVDNSA-N 0 1 247.294 2.042 20 0 BEADMN COc1cccc2c1C[N@@H+](C/C=C(\C)C(=O)[O-])C2 ZINC000863475292 589291637 /nfs/dbraw/zinc/29/16/37/589291637.db2.gz KFESUFMGMPZHEH-UXBLZVDNSA-N 0 1 247.294 2.042 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H]2CCC[C@H]21 ZINC000863476025 589291706 /nfs/dbraw/zinc/29/17/06/589291706.db2.gz SRTKDCHBOZMUDL-CFILOSJBSA-N 0 1 243.734 2.314 20 0 BEADMN Cc1nnc(CNC[C@]2(C)C[C@H]3C[C@H]3C2)s1 ZINC000864053927 589334592 /nfs/dbraw/zinc/33/45/92/589334592.db2.gz QAKLTDUISOXYPW-PEGIJTEDSA-N 0 1 237.372 2.372 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2ccns2)C1 ZINC000864054703 589335833 /nfs/dbraw/zinc/33/58/33/589335833.db2.gz ZJADYSRYXBMLLW-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN C[C@@H]1CC(CNC(=O)Cc2cnc[nH]2)C[C@@H](C)C1 ZINC000864066942 589338166 /nfs/dbraw/zinc/33/81/66/589338166.db2.gz DFVPHLWLYQXBBE-QWRGUYRKSA-N 0 1 249.358 2.141 20 0 BEADMN COCC(C)(C)CSc1nc(C2CC2)n[nH]1 ZINC000865350376 589423493 /nfs/dbraw/zinc/42/34/93/589423493.db2.gz LUKMJRWIEOJETO-UHFFFAOYSA-N 0 1 241.360 2.447 20 0 BEADMN COCC(C)(C)CSc1n[nH]c(C2CC2)n1 ZINC000865350376 589423494 /nfs/dbraw/zinc/42/34/94/589423494.db2.gz LUKMJRWIEOJETO-UHFFFAOYSA-N 0 1 241.360 2.447 20 0 BEADMN CCc1cc(CNc2ccc([C@H](C)O)cn2)n[nH]1 ZINC000865536659 589444181 /nfs/dbraw/zinc/44/41/81/589444181.db2.gz GWWDXZSSPSUCTE-VIFPVBQESA-N 0 1 246.314 2.033 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865551633 589445809 /nfs/dbraw/zinc/44/58/09/589445809.db2.gz DEFGMIBVSQPPLJ-KBPBESRZSA-N 0 1 249.358 2.265 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865593840 589449944 /nfs/dbraw/zinc/44/99/44/589449944.db2.gz LGZDSMJRJFMIER-ZIAGYGMSSA-N 0 1 249.358 2.265 20 0 BEADMN COC1([C@@H](C)NCc2cn(C3CC3)cn2)CCC1 ZINC000865604471 589450212 /nfs/dbraw/zinc/45/02/12/589450212.db2.gz STBKPWLWVYIEOK-LLVKDONJSA-N 0 1 249.358 2.265 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865615825 589451635 /nfs/dbraw/zinc/45/16/35/589451635.db2.gz DEFGMIBVSQPPLJ-ZIAGYGMSSA-N 0 1 249.358 2.265 20 0 BEADMN C1=C[C@@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865623201 589451846 /nfs/dbraw/zinc/45/18/46/589451846.db2.gz LYEDDIZQWJNWHQ-SNVBAGLBSA-N 0 1 203.289 2.026 20 0 BEADMN COCC1(NCc2cn(C3CC3)cn2)CCCC1 ZINC000865620834 589452326 /nfs/dbraw/zinc/45/23/26/589452326.db2.gz RQMOYIIBNVLDSD-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN C[C@H]1CCC[C@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865628098 589452482 /nfs/dbraw/zinc/45/24/82/589452482.db2.gz QGXFTQSSIMFYQR-SMDDNHRTSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)(F)CNCc1cnn2ccccc12 ZINC000865655068 589454744 /nfs/dbraw/zinc/45/47/44/589454744.db2.gz ZVLAWWWAIUPBKL-UHFFFAOYSA-N 0 1 221.279 2.172 20 0 BEADMN OCc1ccc(CN[C@@H]2CCCC[C@@H]2F)o1 ZINC000865699635 589457297 /nfs/dbraw/zinc/45/72/97/589457297.db2.gz XQNGYKJIRAVJOV-NWDGAFQWSA-N 0 1 227.279 2.142 20 0 BEADMN CS[C@H]1C[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865733670 589459103 /nfs/dbraw/zinc/45/91/03/589459103.db2.gz PCAQOTWDWHVYJN-OTCDBFHCSA-N 0 1 237.372 2.202 20 0 BEADMN CC(C)n1cc(CN[C@H](C)c2ccnn2C)cn1 ZINC000865838862 589464444 /nfs/dbraw/zinc/46/44/44/589464444.db2.gz OAVJEDVCIRKFCU-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN Fc1ccc(CN[C@@H]2CCCn3nccc32)cn1 ZINC000865872116 589466109 /nfs/dbraw/zinc/46/61/09/589466109.db2.gz OQDARVZSEWXMKV-LLVKDONJSA-N 0 1 246.289 2.042 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccncc2C(F)(F)F)CO1 ZINC000865902272 589467892 /nfs/dbraw/zinc/46/78/92/589467892.db2.gz SLXQGBKXXLSIHL-HTQZYQBOSA-N 0 1 246.232 2.112 20 0 BEADMN c1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)no1 ZINC000866278284 589484037 /nfs/dbraw/zinc/48/40/37/589484037.db2.gz OOTNHRJCWFSWNS-AVGNSLFASA-N 0 1 248.326 2.112 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1C[C@H](SC)C1 ZINC000866488471 589496704 /nfs/dbraw/zinc/49/67/04/589496704.db2.gz OLKAXGHFRUWRHK-GMTAPVOTSA-N 0 1 239.388 2.448 20 0 BEADMN CS[C@H]1C[C@H](N[C@@H](C)c2cc(C)n(C)n2)C1 ZINC000866488029 589497060 /nfs/dbraw/zinc/49/70/60/589497060.db2.gz INZXETODJCZHMC-DCAQKATOSA-N 0 1 239.388 2.273 20 0 BEADMN CC[C@@H](C)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690339 589512381 /nfs/dbraw/zinc/51/23/81/589512381.db2.gz YXUXHORTNIZQFI-SNVBAGLBSA-N 0 1 220.316 2.262 20 0 BEADMN COC(=O)/C(C)=C\CN(C)Cc1ccccc1 ZINC000206853237 589532647 /nfs/dbraw/zinc/53/26/47/589532647.db2.gz CRQAZKVYWWVSOY-XFXZXTDPSA-N 0 1 233.311 2.238 20 0 BEADMN CC(C)(C(=O)NOCC1CC1)[C@@H]1CCCCO1 ZINC000868553912 589563798 /nfs/dbraw/zinc/56/37/98/589563798.db2.gz OBSXIJNJJRXFIU-NSHDSACASA-N 0 1 241.331 2.040 20 0 BEADMN CC/C=C(\F)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000868752183 589575446 /nfs/dbraw/zinc/57/54/46/589575446.db2.gz MEGNOCBKUBVTIP-MDUDVEDUSA-N 0 1 242.338 2.193 20 0 BEADMN CC/C=C(\F)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000869072799 589585778 /nfs/dbraw/zinc/58/57/78/589585778.db2.gz RZCKPNGOUHBOIN-MDUDVEDUSA-N 0 1 242.338 2.193 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n[nH]1 ZINC000869885569 589635090 /nfs/dbraw/zinc/63/50/90/589635090.db2.gz DUKWRUJYJZSNHP-DLGSQSEFSA-N 0 1 249.314 2.009 20 0 BEADMN CS[C@H]1C[C@@H](OC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000870579416 589677816 /nfs/dbraw/zinc/67/78/16/589677816.db2.gz IIECKDWQPYERNZ-OUAUKWLOSA-N 0 1 245.388 2.010 20 0 BEADMN Cc1ccoc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000123358292 589691364 /nfs/dbraw/zinc/69/13/64/589691364.db2.gz NJVVHKVRMUJRSC-SNVBAGLBSA-N 0 1 223.272 2.027 20 0 BEADMN CC[N@@H+](Cc1ccccc1CC(=O)[O-])C1CC1 ZINC000123504556 589738531 /nfs/dbraw/zinc/73/85/31/589738531.db2.gz LIFMFRURWBVVJU-UHFFFAOYSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)C(N)=NOCc1cccc2c1CCOC2 ZINC000871741244 589802933 /nfs/dbraw/zinc/80/29/33/589802933.db2.gz NLXHEIXCJPKUJG-UHFFFAOYSA-N 0 1 248.326 2.414 20 0 BEADMN CC(=O)c1nccn1Cc1c(C)cc(C)nc1C ZINC000871748761 589804216 /nfs/dbraw/zinc/80/42/16/589804216.db2.gz GPRULUMJMIGPST-UHFFFAOYSA-N 0 1 243.310 2.454 20 0 BEADMN CCCC1=NN(c2cnccn2)C(=O)[C@H]1CC ZINC000871944103 589837849 /nfs/dbraw/zinc/83/78/49/589837849.db2.gz XYUGIDLGPXCEFD-VIFPVBQESA-N 0 1 232.287 2.006 20 0 BEADMN COc1ccc(C2=NN(CC3CC3)C(=O)C2)cc1 ZINC000871944135 589838079 /nfs/dbraw/zinc/83/80/79/589838079.db2.gz YUZNXUNENJNTME-UHFFFAOYSA-N 0 1 244.294 2.042 20 0 BEADMN CCC[C@@H]1C(=O)N(c2cccc(F)n2)N=C1C ZINC000871952416 589840404 /nfs/dbraw/zinc/84/04/04/589840404.db2.gz AENIEJMSWZWENR-VIFPVBQESA-N 0 1 235.262 2.360 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccnc(F)c2)c1=O ZINC000871953537 589840992 /nfs/dbraw/zinc/84/09/92/589840992.db2.gz UFWQXQXTABPJEP-JTQLQIEISA-N 0 1 235.262 2.360 20 0 BEADMN O=C1[C@@H]2CCCCC2=NN1c1ccnc(F)c1 ZINC000871953497 589841519 /nfs/dbraw/zinc/84/15/19/589841519.db2.gz RWBVPBQJBRVHJO-SECBINFHSA-N 0 1 233.246 2.114 20 0 BEADMN O=c1c2c([nH]n1-c1ccnc(F)c1)CCCC2 ZINC000871953497 589841521 /nfs/dbraw/zinc/84/15/21/589841521.db2.gz RWBVPBQJBRVHJO-SECBINFHSA-N 0 1 233.246 2.114 20 0 BEADMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1C1CC1 ZINC000871953549 589841604 /nfs/dbraw/zinc/84/16/04/589841604.db2.gz UOUYKDFXBVCQQI-LLVKDONJSA-N 0 1 249.701 2.484 20 0 BEADMN CCc1c(C)[nH]n(-c2ccnc(Cl)c2)c1=O ZINC000871953340 589841962 /nfs/dbraw/zinc/84/19/62/589841962.db2.gz LSMSIUSEPNXNCL-VIFPVBQESA-N 0 1 237.690 2.484 20 0 BEADMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C1CC1 ZINC000871955138 589842439 /nfs/dbraw/zinc/84/24/39/589842439.db2.gz WLDIVTBOFYFDRK-NSHDSACASA-N 0 1 249.701 2.484 20 0 BEADMN CC(C)CCc1cc(=O)n(-c2cncnc2)[nH]1 ZINC000871960239 589845531 /nfs/dbraw/zinc/84/55/31/589845531.db2.gz WPXANPKCBCIPGK-UHFFFAOYSA-N 0 1 232.287 2.006 20 0 BEADMN COC[C@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872017204 589855876 /nfs/dbraw/zinc/85/58/76/589855876.db2.gz WFVRHPGZRMMINM-DTWKUNHWSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@@H](N[C@@H]1CCCOC1)c1cc(O)ccc1F ZINC000872035795 589857957 /nfs/dbraw/zinc/85/79/57/589857957.db2.gz ZBBZZGUFODLMJN-NXEZZACHSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@@H](NCCn1cccn1)c1cccc(O)c1F ZINC000872045768 589859969 /nfs/dbraw/zinc/85/99/69/589859969.db2.gz BFFARCFTGVQIOU-SNVBAGLBSA-N 0 1 249.289 2.079 20 0 BEADMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cc(O)ccc1F ZINC000872081159 589866506 /nfs/dbraw/zinc/86/65/06/589866506.db2.gz WGFOAPZQCUKTNX-MWODSPESSA-N 0 1 239.290 2.095 20 0 BEADMN CC1(C)CO[C@@H](CN[C@@H]2CCCn3ccnc32)C1 ZINC000872105546 589872242 /nfs/dbraw/zinc/87/22/42/589872242.db2.gz KQDWIMLNCAGZKU-VXGBXAGGSA-N 0 1 249.358 2.123 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1nccn1C ZINC000872110367 589874473 /nfs/dbraw/zinc/87/44/73/589874473.db2.gz XWRKIKYIMBANDY-CYDGBPFRSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nonc1CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000872137333 589878948 /nfs/dbraw/zinc/87/89/48/589878948.db2.gz PMSWBAXGSZZNJU-SCVCMEIPSA-N 0 1 235.331 2.292 20 0 BEADMN CCn1ncc(N[C@H](C)c2cn[nH]c2C)c1C ZINC000872138181 589879913 /nfs/dbraw/zinc/87/99/13/589879913.db2.gz STXSYOFZFQMGAY-MRVPVSSYSA-N 0 1 233.319 2.416 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872165731 589886867 /nfs/dbraw/zinc/88/68/67/589886867.db2.gz JZMQVFPGADYJLV-NHYWBVRUSA-N 0 1 245.322 2.049 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CCCC1CC1 ZINC000872162089 589887411 /nfs/dbraw/zinc/88/74/11/589887411.db2.gz CYMINEDCKJVAIY-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN Cc1cc(CN)oc1-c1nc([C@@H]2C[C@@H]2C)no1 ZINC000872174672 589888150 /nfs/dbraw/zinc/88/81/50/589888150.db2.gz FHCKHGPRTTZZMJ-IMTBSYHQSA-N 0 1 233.271 2.220 20 0 BEADMN Cc1cc(CN)oc1-c1nc([C@@H]2C[C@H]2C)no1 ZINC000872174671 589888159 /nfs/dbraw/zinc/88/81/59/589888159.db2.gz FHCKHGPRTTZZMJ-HZGVNTEJSA-N 0 1 233.271 2.220 20 0 BEADMN CCCC[N@@H+](CC)CN1CCC2(CCC2)C1=O ZINC000872560131 589951475 /nfs/dbraw/zinc/95/14/75/589951475.db2.gz CWKQIYHJMYDFOM-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCCCN(CC)CN1CCC2(CCC2)C1=O ZINC000872560131 589951476 /nfs/dbraw/zinc/95/14/76/589951476.db2.gz CWKQIYHJMYDFOM-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCOc1cccc(F)c1CNCC(C)(C)O ZINC000873048835 589981052 /nfs/dbraw/zinc/98/10/52/589981052.db2.gz OFIWWVDPYKDRPS-UHFFFAOYSA-N 0 1 241.306 2.085 20 0 BEADMN Fc1cccc(NCCCNCc2ccon2)c1 ZINC000873103503 589984778 /nfs/dbraw/zinc/98/47/78/589984778.db2.gz CRPBJACVJVQFNS-UHFFFAOYSA-N 0 1 249.289 2.406 20 0 BEADMN CCOc1cccc(F)c1CN[C@H](CC)CO ZINC000873100731 589985061 /nfs/dbraw/zinc/98/50/61/589985061.db2.gz CMRRNQDCIKDBOB-SNVBAGLBSA-N 0 1 241.306 2.085 20 0 BEADMN FCC(CF)N[C@H]1CCOC2(CCCC2)C1 ZINC000873128722 589985103 /nfs/dbraw/zinc/98/51/03/589985103.db2.gz BEHFRSQNAHYTBN-JTQLQIEISA-N 0 1 233.302 2.375 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NC(CF)CF)CCO1 ZINC000873128733 589985703 /nfs/dbraw/zinc/98/57/03/589985703.db2.gz BOJRMWCHQPOBAS-KOLCDFICSA-N 0 1 235.318 2.477 20 0 BEADMN CC(C)(NCc1ccon1)[C@H]1CCCCO1 ZINC000873149123 589986971 /nfs/dbraw/zinc/98/69/71/589986971.db2.gz NCAITZYVNRPZPY-LLVKDONJSA-N 0 1 224.304 2.112 20 0 BEADMN CC1(C)CO[C@@H](CNCc2cn(C3CC3)cn2)C1 ZINC000873153329 589987500 /nfs/dbraw/zinc/98/75/00/589987500.db2.gz NCFICJYTXXJGPI-CYBMUJFWSA-N 0 1 249.358 2.123 20 0 BEADMN CC1(C)CO[C@H](CNCc2cn(C3CC3)cn2)C1 ZINC000873153330 589987762 /nfs/dbraw/zinc/98/77/62/589987762.db2.gz NCFICJYTXXJGPI-ZDUSSCGKSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H](C)COC(C)C ZINC000873186778 589990511 /nfs/dbraw/zinc/99/05/11/589990511.db2.gz FREJDFGEFYSWSB-CMPLNLGQSA-N 0 1 237.347 2.249 20 0 BEADMN CC[N@@H+](Cc1cnc(N)cn1)C1CC(C)(C)C1 ZINC000873213607 589997397 /nfs/dbraw/zinc/99/73/97/589997397.db2.gz JACJEMBMDXWZHA-UHFFFAOYSA-N 0 1 234.347 2.069 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCCc2cccs2)c1 ZINC000019845114 590000890 /nfs/dbraw/zinc/00/08/90/590000890.db2.gz VZOOZFJDEHXPMP-UHFFFAOYSA-N 0 1 248.307 2.496 20 0 BEADMN CC[C@@H](OC(=O)c1cccc2[nH]ncc21)C(C)=O ZINC000873383067 590034988 /nfs/dbraw/zinc/03/49/88/590034988.db2.gz DUPJFIAOYCPNIG-GFCCVEGCSA-N 0 1 246.266 2.087 20 0 BEADMN CCC/C=C\C(=O)NCCCc1cn[nH]c1C ZINC000873993604 590083996 /nfs/dbraw/zinc/08/39/96/590083996.db2.gz NYNLDDXMOKXZCF-YVMONPNESA-N 0 1 235.331 2.123 20 0 BEADMN CCC/C=C/C(=O)NCCCc1cn[nH]c1C ZINC000873993603 590084126 /nfs/dbraw/zinc/08/41/26/590084126.db2.gz NYNLDDXMOKXZCF-VMPITWQZSA-N 0 1 235.331 2.123 20 0 BEADMN CC(C)(NC(=O)CN1CCCC1)c1ccccc1 ZINC000874216094 590096976 /nfs/dbraw/zinc/09/69/76/590096976.db2.gz MEBCNZZXDPUAHH-UHFFFAOYSA-N 0 1 246.354 2.134 20 0 BEADMN CC(C)(C)[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000874381857 590106259 /nfs/dbraw/zinc/10/62/59/590106259.db2.gz ZTRVMNLSGYBSSC-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@](C)(NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000874443444 590110820 /nfs/dbraw/zinc/11/08/20/590110820.db2.gz JYXPFLNBABUJEK-DOMZBBRYSA-N 0 1 248.370 2.378 20 0 BEADMN CCc1cc(CNC(=O)CC(C)=C(C)C)n[nH]1 ZINC000874463098 590113380 /nfs/dbraw/zinc/11/33/80/590113380.db2.gz CLXFDJZPLUEGPU-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN CCC1(CC)CCCN1C(=O)[C@@H](C)N(C)C ZINC000874629869 590119821 /nfs/dbraw/zinc/11/98/21/590119821.db2.gz FXFQVKGLRFJPCO-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN O=C(N[C@H]1CC12CCC2)[C@H]1CCN1C1CCCC1 ZINC000874772860 590127778 /nfs/dbraw/zinc/12/77/78/590127778.db2.gz PXBPSTBRUAKBFF-OLZOCXBDSA-N 0 1 248.370 2.062 20 0 BEADMN O=C(NOc1ccccc1F)[C@@H]1CC12CC2 ZINC000874911352 590154439 /nfs/dbraw/zinc/15/44/39/590154439.db2.gz RVKWHJUZCHWKLE-QMMMGPOBSA-N 0 1 221.231 2.036 20 0 BEADMN CCCCCCNC(=O)C[N@H+]1CC[C@H](CC)C1 ZINC000125519470 590167216 /nfs/dbraw/zinc/16/72/16/590167216.db2.gz CQJACVNOCWBPDL-ZDUSSCGKSA-N 0 1 240.391 2.415 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125577056 590171334 /nfs/dbraw/zinc/17/13/34/590171334.db2.gz RPUIIZDZRMAEHL-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC3(CC3)C2)c1C ZINC000888703026 590188764 /nfs/dbraw/zinc/18/87/64/590188764.db2.gz SPZYBKVMICHMBU-LLVKDONJSA-N 0 1 247.342 2.479 20 0 BEADMN O=C1CCCN1C=Cc1cc(C(F)(F)F)[nH]n1 ZINC000876500476 590202777 /nfs/dbraw/zinc/20/27/77/590202777.db2.gz CSLGNTAYRASWFQ-HYXAFXHYSA-N 0 1 245.204 2.022 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000876526579 590208802 /nfs/dbraw/zinc/20/88/02/590208802.db2.gz XNMJQLCEHAFKTR-RYUDHWBXSA-N 0 1 236.363 2.166 20 0 BEADMN COC(=O)C[N@@H+](CCC(C)(C)SC)C(C)C ZINC000876606098 590217207 /nfs/dbraw/zinc/21/72/07/590217207.db2.gz UHKSEKMMQZVXQY-UHFFFAOYSA-N 0 1 247.404 2.402 20 0 BEADMN COC(=O)CN(CCC(C)(C)SC)C(C)C ZINC000876606098 590217208 /nfs/dbraw/zinc/21/72/08/590217208.db2.gz UHKSEKMMQZVXQY-UHFFFAOYSA-N 0 1 247.404 2.402 20 0 BEADMN CCCn1cc(CN(C)C[C@@H](C)CC)nn1 ZINC000876611373 590221679 /nfs/dbraw/zinc/22/16/79/590221679.db2.gz YAQULVIONMJMQX-NSHDSACASA-N 0 1 224.352 2.166 20 0 BEADMN CCCn1cc(CN(C)[C@@H](C)C2(C)CC2)nn1 ZINC000876806399 590242691 /nfs/dbraw/zinc/24/26/91/590242691.db2.gz PFNMYZRYRAWUDO-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H](O)c1ccc(CNCc2ccns2)cc1 ZINC000876968768 590262631 /nfs/dbraw/zinc/26/26/31/590262631.db2.gz TUFDAWKJWWNZGZ-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN Clc1csc(CNC[C@H]2CCCCO2)n1 ZINC000876972103 590263217 /nfs/dbraw/zinc/26/32/17/590263217.db2.gz QCMIEQPUUDHFKY-MRVPVSSYSA-N 0 1 246.763 2.455 20 0 BEADMN CC(C)C[C@H](O)CNCc1nc(Cl)cs1 ZINC000876988318 590265903 /nfs/dbraw/zinc/26/59/03/590265903.db2.gz YSZJZWVPSNVFGE-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H](NCc1nc(Cl)cs1)C(C)(C)O ZINC000876996515 590266868 /nfs/dbraw/zinc/26/68/68/590266868.db2.gz XPWUPAXPRYPBQU-ZCFIWIBFSA-N 0 1 234.752 2.046 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCNC[C@@H]1C(C)C ZINC000876999046 590267333 /nfs/dbraw/zinc/26/73/33/590267333.db2.gz VCZBRUAETCEIRK-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN COCC(C)(C)NCc1nc(Cl)cs1 ZINC000877003525 590268043 /nfs/dbraw/zinc/26/80/43/590268043.db2.gz WJDDEQPPPACEOG-UHFFFAOYSA-N 0 1 234.752 2.311 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1nc(Cl)cs1 ZINC000877024731 590271121 /nfs/dbraw/zinc/27/11/21/590271121.db2.gz MTWCXIAGBVWEPP-HTQZYQBOSA-N 0 1 248.779 2.293 20 0 BEADMN OCC[C@@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877059234 590276161 /nfs/dbraw/zinc/27/61/61/590276161.db2.gz SOYNDNGBMAOQHM-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN Cc1cnc(CNCCCc2c(C)noc2C)o1 ZINC000877092431 590281510 /nfs/dbraw/zinc/28/15/10/590281510.db2.gz CARFPLXNVHKWMW-UHFFFAOYSA-N 0 1 249.314 2.310 20 0 BEADMN Cc1cnc(CNCCc2cnc(C)s2)o1 ZINC000877115851 590288620 /nfs/dbraw/zinc/28/86/20/590288620.db2.gz UAOPAVRCGZIEKX-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN CC1=C(C)C[C@@H]([C@@H](C)NCc2ncn(C)n2)CC1 ZINC000877120490 590288863 /nfs/dbraw/zinc/28/88/63/590288863.db2.gz SXJPELDCMUEFOK-OLZOCXBDSA-N 0 1 248.374 2.430 20 0 BEADMN COc1ncc(CN[C@H](C)c2ccc[nH]2)s1 ZINC000877124142 590289584 /nfs/dbraw/zinc/28/95/84/590289584.db2.gz JBJINOIYBDRDHA-MRVPVSSYSA-N 0 1 237.328 2.331 20 0 BEADMN COC1(CNCc2nc(Cl)cs2)CCC1 ZINC000877181955 590298075 /nfs/dbraw/zinc/29/80/75/590298075.db2.gz HUMOJMBZCFISLL-UHFFFAOYSA-N 0 1 246.763 2.455 20 0 BEADMN CC[C@](C)(CN1CCC[C@@H]1c1ncc[nH]1)OC ZINC000877343962 590318325 /nfs/dbraw/zinc/31/83/25/590318325.db2.gz BKVSHJZDEUDFHJ-DGCLKSJQSA-N 0 1 237.347 2.362 20 0 BEADMN O[C@@H]1CC[C@@H](CNCc2nc(Cl)cs2)C1 ZINC000877469665 590334576 /nfs/dbraw/zinc/33/45/76/590334576.db2.gz XRLNTKXKINTVHL-HTQZYQBOSA-N 0 1 246.763 2.047 20 0 BEADMN CCCn1cc(CN(CC2CC2)C2CCC2)nn1 ZINC000877494703 590340687 /nfs/dbraw/zinc/34/06/87/590340687.db2.gz ZHZHISDOMIMHHI-UHFFFAOYSA-N 0 1 248.374 2.453 20 0 BEADMN CCCn1cc(CN2[C@H](CC)CC[C@@H]2C)nn1 ZINC000877530998 590348789 /nfs/dbraw/zinc/34/87/89/590348789.db2.gz HJLNMSIHIPMULC-WCQYABFASA-N 0 1 236.363 2.451 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc(Cl)cs1 ZINC000877542134 590351480 /nfs/dbraw/zinc/35/14/80/590351480.db2.gz WHAHRAWDZQVHRQ-RNFRBKRXSA-N 0 1 234.752 2.310 20 0 BEADMN Clc1csc(CNCC2=CCOCC2)n1 ZINC000877558415 590358614 /nfs/dbraw/zinc/35/86/14/590358614.db2.gz GWQDZBPDBZKTCE-UHFFFAOYSA-N 0 1 244.747 2.233 20 0 BEADMN CC/C=C/CNCc1ccc(Cl)nn1 ZINC000877564002 590360466 /nfs/dbraw/zinc/36/04/66/590360466.db2.gz SYVZMPYKYBPJLF-ONEGZZNKSA-N 0 1 211.696 2.186 20 0 BEADMN O[C@@H](CNCc1nc(Cl)cs1)C1CCC1 ZINC000877574411 590362840 /nfs/dbraw/zinc/36/28/40/590362840.db2.gz JCDVZSPRAGRXRH-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN CCOC1CN(CCC(C)(C)SC)C1 ZINC000877579847 590364560 /nfs/dbraw/zinc/36/45/60/590364560.db2.gz FLIIZJYUPWGLPS-UHFFFAOYSA-N 0 1 217.378 2.239 20 0 BEADMN COCC1(C)CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000877582243 590365338 /nfs/dbraw/zinc/36/53/38/590365338.db2.gz OGRMJVAXORQKDX-QMMMGPOBSA-N 0 1 238.158 2.149 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C3CCC3)C2)nn1 ZINC000877593186 590368910 /nfs/dbraw/zinc/36/89/10/590368910.db2.gz PIQSDZYTRWFYHB-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN CO[C@@H](CNCc1noc2ccccc12)C1CC1 ZINC000877619968 590375874 /nfs/dbraw/zinc/37/58/74/590375874.db2.gz CUABQGLCUMEUAI-AWEZNQCLSA-N 0 1 246.310 2.342 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)ncc2F)[C@H](C)O1 ZINC000877682735 590390977 /nfs/dbraw/zinc/39/09/77/590390977.db2.gz PSGNCMBWINULRU-FYBVGQRMSA-N 0 1 242.269 2.015 20 0 BEADMN Cc1cnc(CN2CCC(C)(F)CC2)cn1 ZINC000877700138 590393663 /nfs/dbraw/zinc/39/36/63/590393663.db2.gz FNZDYVOLFUFHAP-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN CC1(C)CN(Cc2cnn3ccccc23)C1 ZINC000877718078 590399677 /nfs/dbraw/zinc/39/96/77/590399677.db2.gz WTKWNPLEDNFSPA-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN COc1ccc([C@H]2CN(CC3CC3)CCO2)cc1 ZINC000877756908 590417810 /nfs/dbraw/zinc/41/78/10/590417810.db2.gz CCXLMWKZFUWNDU-OAHLLOKOSA-N 0 1 247.338 2.479 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)C[C@H](C)O1 ZINC000877901881 590443269 /nfs/dbraw/zinc/44/32/69/590443269.db2.gz YPUZRIPQONZCOM-FRRDWIJNSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)[C@H](C)CO1 ZINC000877920383 590447690 /nfs/dbraw/zinc/44/76/90/590447690.db2.gz KYXSBZAYIKPIFF-UPJWGTAASA-N 0 1 239.359 2.197 20 0 BEADMN CC(C)[C@@H](O)CCN1CCn2cccc2[C@H]1C ZINC000877923435 590448672 /nfs/dbraw/zinc/44/86/72/590448672.db2.gz PETOYRFQEXYZQA-OCCSQVGLSA-N 0 1 236.359 2.272 20 0 BEADMN CCN1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000877933570 590451216 /nfs/dbraw/zinc/45/12/16/590451216.db2.gz OCFDFEBYPXURST-GFCCVEGCSA-N 0 1 246.345 2.449 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1CCCC1 ZINC000877962397 590459177 /nfs/dbraw/zinc/45/91/77/590459177.db2.gz IOTXLFLVXIMEKF-NOZJJQNGSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1ccc(CN(CCO)C2CC2)nc1Cl ZINC000877961767 590459223 /nfs/dbraw/zinc/45/92/23/590459223.db2.gz RJMKIARJWSKALB-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1CCCC1 ZINC000877962398 590459597 /nfs/dbraw/zinc/45/95/97/590459597.db2.gz IOTXLFLVXIMEKF-RNCFNFMXSA-N 0 1 247.342 2.134 20 0 BEADMN COCCN(Cc1nocc1C)C1CCCC1 ZINC000877990323 590468225 /nfs/dbraw/zinc/46/82/25/590468225.db2.gz RBMZLOHRVWNWTQ-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN CC1(C)COCCN1C[C@@H]1CC2(CCC2)CO1 ZINC000877996018 590468629 /nfs/dbraw/zinc/46/86/29/590468629.db2.gz NCVVHURUSDTBPC-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)COCCN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877995424 590469271 /nfs/dbraw/zinc/46/92/71/590469271.db2.gz HDDIJVXTMRNFDN-RWMBFGLXSA-N 0 1 239.359 2.055 20 0 BEADMN CCCN(CC)Cc1nccn1CC(F)F ZINC000878001828 590469454 /nfs/dbraw/zinc/46/94/54/590469454.db2.gz DSCXIICDPGFYBT-UHFFFAOYSA-N 0 1 231.290 2.380 20 0 BEADMN CCONC(=O)C(C)(C)c1ccc(F)cc1F ZINC000878009409 590471684 /nfs/dbraw/zinc/47/16/84/590471684.db2.gz ZFXZZTWGZIAQSX-UHFFFAOYSA-N 0 1 243.253 2.310 20 0 BEADMN C=C/C=C/CCN1CCN(CC(F)F)CC1 ZINC000878016641 590473332 /nfs/dbraw/zinc/47/33/32/590473332.db2.gz PYGFPRPYOVASGM-ONEGZZNKSA-N 0 1 230.302 2.001 20 0 BEADMN C[C@@H]1CN(CCCOC(F)(F)F)CCCO1 ZINC000878042268 590478874 /nfs/dbraw/zinc/47/88/74/590478874.db2.gz WGDLEFPJLWQGRL-SECBINFHSA-N 0 1 241.253 2.024 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2cnccc21)N(C)C ZINC000878060335 590485849 /nfs/dbraw/zinc/48/58/49/590485849.db2.gz GTWKCYKNHUJQLZ-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN CCOC[C@@H]1CCCN(Cc2nocc2C)C1 ZINC000878106553 590494689 /nfs/dbraw/zinc/49/46/89/590494689.db2.gz ILEQWDUDKHHANR-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CC[C@H]1COCCN1C[C@H]1CCCC(C)(C)O1 ZINC000878108764 590495977 /nfs/dbraw/zinc/49/59/77/590495977.db2.gz OBNRKLNJLOYOGT-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1cccnc1NC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000878125289 590501268 /nfs/dbraw/zinc/50/12/68/590501268.db2.gz KHSDZQLWAXNXJN-JQWIXIFHSA-N 0 1 247.342 2.059 20 0 BEADMN Cc1cccnc1NC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000878163728 590511895 /nfs/dbraw/zinc/51/18/95/590511895.db2.gz BOKWRENYVXOOBN-JQWIXIFHSA-N 0 1 247.342 2.059 20 0 BEADMN C=C/C=C/CCN(C)Cc1cnccn1 ZINC000878171138 590514795 /nfs/dbraw/zinc/51/47/95/590514795.db2.gz ZSJCNDZLEFGMRI-SNAWJCMRSA-N 0 1 203.289 2.041 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CCCC1CC1 ZINC000878191846 590522242 /nfs/dbraw/zinc/52/22/42/590522242.db2.gz WDEMANMRXQSPSX-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN C=C/C=C/CCN1CCC[C@H]1c1nncn1C ZINC000878333883 590548713 /nfs/dbraw/zinc/54/87/13/590548713.db2.gz IFFSLAXPBGZRJE-ITKZLYELSA-N 0 1 232.331 2.084 20 0 BEADMN CC[C@H](NCc1nocc1C)[C@H]1CCCO1 ZINC000878412908 590562954 /nfs/dbraw/zinc/56/29/54/590562954.db2.gz BIILIXDMLRZMBH-CMPLNLGQSA-N 0 1 224.304 2.030 20 0 BEADMN C=C/C=C\CCN[C@H](C)c1nc(C)no1 ZINC000878418271 590563382 /nfs/dbraw/zinc/56/33/82/590563382.db2.gz XBPHRIHJJRMBOH-SSJHQANKSA-N 0 1 207.277 2.161 20 0 BEADMN C=C/C=C/CCN[C@H](C)c1nnc(C)o1 ZINC000878427802 590565146 /nfs/dbraw/zinc/56/51/46/590565146.db2.gz XARLCUMSBGZJQT-VUHVRTRXSA-N 0 1 207.277 2.161 20 0 BEADMN C[C@@H]1CN(CCCC2CC2)C[C@H](C)[S@@]1=O ZINC000878503990 590582058 /nfs/dbraw/zinc/58/20/58/590582058.db2.gz VTGBFDYXONSQEU-QHBPRCKVSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1conc1CN1CCSC[C@@H](C)C1 ZINC000878507020 590582702 /nfs/dbraw/zinc/58/27/02/590582702.db2.gz JUSGXRUSNIEROQ-VIFPVBQESA-N 0 1 226.345 2.168 20 0 BEADMN CO[C@]1(C)CCCN(Cc2nocc2C)CC1 ZINC000878540353 590588398 /nfs/dbraw/zinc/58/83/98/590588398.db2.gz NFVBZRXJJNRNQW-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN C=C/C=C/CCN(CC(=O)OC)[C@H](C)CC ZINC000878549107 590590769 /nfs/dbraw/zinc/59/07/69/590590769.db2.gz AOJPGNLKASRTBM-ABZNLYFFSA-N 0 1 225.332 2.392 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CC2(CCC2)CO1 ZINC000878668348 590606452 /nfs/dbraw/zinc/60/64/52/590606452.db2.gz SHUXWPJJBGSKSA-CQSZACIVSA-N 0 1 246.354 2.473 20 0 BEADMN CON1CCN(CCCSC(C)(C)C)CC1 ZINC000878687018 590609981 /nfs/dbraw/zinc/60/99/81/590609981.db2.gz KMTHNXPSACFHAE-UHFFFAOYSA-N 0 1 246.420 2.087 20 0 BEADMN CO[C@@H](CN1CCC=C(Cl)C1)C1CC1 ZINC000878790538 590620936 /nfs/dbraw/zinc/62/09/36/590620936.db2.gz OQJXZYKEMDUOIL-NSHDSACASA-N 0 1 215.724 2.240 20 0 BEADMN CO[C@@H]1CN(C[C@@H](C)CC(C)(C)C)CCO1 ZINC000878968897 590663081 /nfs/dbraw/zinc/66/30/81/590663081.db2.gz FAOGNHNXBYJYEY-RYUDHWBXSA-N 0 1 229.364 2.363 20 0 BEADMN OCCCCCCN1CCC[C@@H]1c1ncccn1 ZINC000878975626 590666634 /nfs/dbraw/zinc/66/66/34/590666634.db2.gz GGJJDNVJMLRXET-CYBMUJFWSA-N 0 1 249.358 2.166 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)C1CCC1 ZINC000878983189 590668737 /nfs/dbraw/zinc/66/87/37/590668737.db2.gz IKBJDNXYWNFDOP-RNCFNFMXSA-N 0 1 247.342 2.087 20 0 BEADMN C=C/C=C/CCN1CCO[C@H](CCF)C1 ZINC000879053638 590688662 /nfs/dbraw/zinc/68/86/62/590688662.db2.gz FKUQIZINKYEORI-AAOUONPWSA-N 0 1 213.296 2.179 20 0 BEADMN CSC1CCN(Cc2cnoc2C)CC1 ZINC000879099380 590696822 /nfs/dbraw/zinc/69/68/22/590696822.db2.gz OWVYWVFUQACBKV-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cc(C(F)F)[nH]n1 ZINC000879196794 590712455 /nfs/dbraw/zinc/71/24/55/590712455.db2.gz FJEVLJSUDLXFOL-ZCFIWIBFSA-N 0 1 247.245 2.149 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C)CCC1 ZINC000879293322 590728387 /nfs/dbraw/zinc/72/83/87/590728387.db2.gz YDPXRGWJSFJNDG-JOYOIKCWSA-N 0 1 247.342 2.134 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C)CCC1 ZINC000879293323 590728394 /nfs/dbraw/zinc/72/83/94/590728394.db2.gz YDPXRGWJSFJNDG-SKDRFNHKSA-N 0 1 247.342 2.134 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C)CCC1 ZINC000879293320 590728525 /nfs/dbraw/zinc/72/85/25/590728525.db2.gz YDPXRGWJSFJNDG-BXKDBHETSA-N 0 1 247.342 2.134 20 0 BEADMN CCc1nocc1CN1C[C@@H](OC)CC[C@H]1C ZINC000879324226 590744253 /nfs/dbraw/zinc/74/42/53/590744253.db2.gz FXFRJGSNKNNZSR-PWSUYJOCSA-N 0 1 238.331 2.236 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2cncs2)C1 ZINC000879325523 590746650 /nfs/dbraw/zinc/74/66/50/590746650.db2.gz KSTHFYBOPCXFTK-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1conc1CNC(C)(C)[C@@H]1CCCCO1 ZINC000879407485 590763508 /nfs/dbraw/zinc/76/35/08/590763508.db2.gz LLDOYDBRAHUYAD-LBPRGKRZSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CC=CC[C@@H]3C2)s1 ZINC000879529896 590791650 /nfs/dbraw/zinc/79/16/50/590791650.db2.gz FMUSSAKLCRPRJE-PHIMTYICSA-N 0 1 235.356 2.245 20 0 BEADMN CCCN1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879632165 590839324 /nfs/dbraw/zinc/83/93/24/590839324.db2.gz TYEKDXKFOFWOGL-AWEZNQCLSA-N 0 1 235.327 2.479 20 0 BEADMN CC(C)=CCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879721567 590855820 /nfs/dbraw/zinc/85/58/20/590855820.db2.gz MBSYXFJVFJUNSG-GXFFZTMASA-N 0 1 247.342 2.158 20 0 BEADMN CC[C@H](CO)N(CCF)Cc1ccccc1 ZINC000879742025 590859331 /nfs/dbraw/zinc/85/93/31/590859331.db2.gz OUENPUWXBWAQAV-CYBMUJFWSA-N 0 1 225.307 2.229 20 0 BEADMN CCC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000880176356 590950236 /nfs/dbraw/zinc/95/02/36/590950236.db2.gz PXMHYDPNUVKQIK-CABZTGNLSA-N 0 1 247.342 2.134 20 0 BEADMN CC/C=C/CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880195329 590956470 /nfs/dbraw/zinc/95/64/70/590956470.db2.gz QYDPSINHNAMNAI-OXRXFNFQSA-N 0 1 247.342 2.158 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C(F)=C1CCC1 ZINC000880196909 590956686 /nfs/dbraw/zinc/95/66/86/590956686.db2.gz ZWXMJULZKWFZRE-UHFFFAOYSA-N 0 1 246.245 2.304 20 0 BEADMN CC=C(CC)C(=O)Nc1cccc2[nH]nnc21 ZINC000880196445 590956757 /nfs/dbraw/zinc/95/67/57/590956757.db2.gz RBHCCHJAKIEEOL-BAQGIRSFSA-N 0 1 230.271 2.253 20 0 BEADMN COc1cccc(CN2CCC[C@@H](CF)C2)n1 ZINC000880232648 590963437 /nfs/dbraw/zinc/96/34/37/590963437.db2.gz PNXGIINCPBACTE-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN COc1cc(CN2CCC[C@@H](CF)C2)sn1 ZINC000880237395 590968558 /nfs/dbraw/zinc/96/85/58/590968558.db2.gz BLIOWEGLFMFJCL-VIFPVBQESA-N 0 1 244.335 2.333 20 0 BEADMN CC(C)n1nccc1CN1CCC(F)CC1 ZINC000880239525 590972578 /nfs/dbraw/zinc/97/25/78/590972578.db2.gz KAGTZIUNFAJESC-UHFFFAOYSA-N 0 1 225.311 2.398 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1CCC(F)CC1 ZINC000880239649 590972889 /nfs/dbraw/zinc/97/28/89/590972889.db2.gz BDJQVLZKNXSCKZ-LBPRGKRZSA-N 0 1 245.338 2.398 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)cn1 ZINC000880242335 590975475 /nfs/dbraw/zinc/97/54/75/590975475.db2.gz VEWYGKUADFUVMC-UHFFFAOYSA-N 0 1 224.279 2.024 20 0 BEADMN Cn1c2ccccc2nc1CN1CC[C@H](CF)C1 ZINC000880297582 590991967 /nfs/dbraw/zinc/99/19/67/590991967.db2.gz PYNFIGIXNDLQBU-LLVKDONJSA-N 0 1 247.317 2.365 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](CF)C1 ZINC000880298564 590993241 /nfs/dbraw/zinc/99/32/41/590993241.db2.gz FATRIYKWQNIOKV-MNOVXSKESA-N 0 1 245.338 2.398 20 0 BEADMN Cc1nocc1CN1CC[C@H](c2nccs2)C1 ZINC000880321220 591006141 /nfs/dbraw/zinc/00/61/41/591006141.db2.gz PFHKZSDKXINXIN-JTQLQIEISA-N 0 1 249.339 2.429 20 0 BEADMN c1cnc(C2(NCC3CCC3)CCC2)nc1 ZINC000880365059 591010364 /nfs/dbraw/zinc/01/03/64/591010364.db2.gz DBSNVYJKHOGGTH-UHFFFAOYSA-N 0 1 217.316 2.246 20 0 BEADMN FCCCCNC1(c2ncccn2)CCC1 ZINC000880366798 591011583 /nfs/dbraw/zinc/01/15/83/591011583.db2.gz UZMMYHJPIYYVTJ-UHFFFAOYSA-N 0 1 223.295 2.195 20 0 BEADMN Cc1nc(CN2CCc3ccsc3[C@H]2C)n[nH]1 ZINC000880377492 591015368 /nfs/dbraw/zinc/01/53/68/591015368.db2.gz XLSIEXALCCRBGO-MRVPVSSYSA-N 0 1 248.355 2.294 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cncc(Cl)c1 ZINC000880435702 591037186 /nfs/dbraw/zinc/03/71/86/591037186.db2.gz UFGBMEJSODLVBW-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1nc(CN2[C@H](C)CC[C@@H]2CO)sc1C ZINC000880444449 591046671 /nfs/dbraw/zinc/04/66/71/591046671.db2.gz SUOPZYUCJLDBDV-LDYMZIIASA-N 0 1 240.372 2.105 20 0 BEADMN OC[C@@H]1C=CCN1Cc1cc2ccccc2o1 ZINC000880486694 591061618 /nfs/dbraw/zinc/06/16/18/591061618.db2.gz DZRZATKBXJQQOS-LBPRGKRZSA-N 0 1 229.279 2.166 20 0 BEADMN Cc1cccc(Cl)c1CN1CC=C[C@H]1CO ZINC000880492691 591072218 /nfs/dbraw/zinc/07/22/18/591072218.db2.gz UZPUSAUPVKZJCF-NSHDSACASA-N 0 1 237.730 2.381 20 0 BEADMN CC(=O)CN1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880555389 591089620 /nfs/dbraw/zinc/08/96/20/591089620.db2.gz IFAWPGFVVCSAKT-AWEZNQCLSA-N 0 1 244.338 2.060 20 0 BEADMN CC(=O)CN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552981 591090076 /nfs/dbraw/zinc/09/00/76/591090076.db2.gz IFAWPGFVVCSAKT-CQSZACIVSA-N 0 1 244.338 2.060 20 0 BEADMN Cc1cccc(CN(C)[C@@H](CC(C)C)C(N)=O)c1 ZINC000880588459 591101858 /nfs/dbraw/zinc/10/18/58/591101858.db2.gz VITJEPFVAOZLTH-AWEZNQCLSA-N 0 1 248.370 2.327 20 0 BEADMN c1csc(CCN2CCc3ncncc3C2)c1 ZINC000880596082 591106244 /nfs/dbraw/zinc/10/62/44/591106244.db2.gz ZYRFGAVHHQLNRD-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN CC/C=C(/C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610516 591109891 /nfs/dbraw/zinc/10/98/91/591109891.db2.gz SPBXHAWQUMVREE-QEEXHBDFSA-N 0 1 238.375 2.284 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000881529908 591230879 /nfs/dbraw/zinc/23/08/79/591230879.db2.gz SRSLEMFALHVBFO-JTQLQIEISA-N 0 1 249.358 2.455 20 0 BEADMN C=C/C=C\CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000881564939 591240018 /nfs/dbraw/zinc/24/00/18/591240018.db2.gz FRQALHGIMLWJOI-DLRQAJBASA-N 0 1 245.326 2.078 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC(F)CC1 ZINC000881607288 591254466 /nfs/dbraw/zinc/25/44/66/591254466.db2.gz HVWIQJRXGIUAOY-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC(F)CC2)n[nH]1 ZINC000881610045 591255900 /nfs/dbraw/zinc/25/59/00/591255900.db2.gz SGHRLSIBJWXWIK-UHFFFAOYSA-N 0 1 239.294 2.107 20 0 BEADMN C[C@@H]1c2sccc2CCN1C(=O)c1ccn[nH]1 ZINC000882187364 591313571 /nfs/dbraw/zinc/31/35/71/591313571.db2.gz MNLGBWLIYDOBJY-MRVPVSSYSA-N 0 1 247.323 2.231 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NC[C@@H]1CCN1CC ZINC000882488355 591363555 /nfs/dbraw/zinc/36/35/55/591363555.db2.gz CNPIFOCCALXJDO-AAEUAGOBSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CC(C)(C)CC ZINC000882488005 591363669 /nfs/dbraw/zinc/36/36/69/591363669.db2.gz MWMQBDLQJHDVJF-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC000882487400 591365008 /nfs/dbraw/zinc/36/50/08/591365008.db2.gz DYMCNESPGOMVSR-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@@H]1CCC[C@@H]1C ZINC000882489564 591367122 /nfs/dbraw/zinc/36/71/22/591367122.db2.gz DLYYHRMDPZNFAD-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC ZINC000882493742 591374260 /nfs/dbraw/zinc/37/42/60/591374260.db2.gz LDOSNJAKGHRNFW-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1c(C)[nH]n(-c2cccnc2Cl)c1=O ZINC000129805915 591410181 /nfs/dbraw/zinc/41/01/81/591410181.db2.gz OVVGPTGINQVDMB-MRVPVSSYSA-N 0 1 237.690 2.484 20 0 BEADMN CCCCC(N)=NOCC[C@@H](O)C(C)C ZINC000882960687 591486195 /nfs/dbraw/zinc/48/61/95/591486195.db2.gz SKLLZRSQKSPUST-SNVBAGLBSA-N 0 1 216.325 2.082 20 0 BEADMN CC(C)c1c[nH]c(CNCCOCC2CC2)n1 ZINC000882989551 591495752 /nfs/dbraw/zinc/49/57/52/591495752.db2.gz XVDSRBIORYIENC-UHFFFAOYSA-N 0 1 237.347 2.049 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882994147 591499199 /nfs/dbraw/zinc/49/91/99/591499199.db2.gz UIWAPMMAYSEXEZ-PWSUYJOCSA-N 0 1 239.363 2.030 20 0 BEADMN CC[C@H](COC)NCc1nc(C(C)C)c[nH]1 ZINC000883016111 591514390 /nfs/dbraw/zinc/51/43/90/591514390.db2.gz ODDUALFGGACDQG-SNVBAGLBSA-N 0 1 225.336 2.048 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@]2(C)CCO[C@@H]2C)n1 ZINC000883087242 591537283 /nfs/dbraw/zinc/53/72/83/591537283.db2.gz RGPRSGRLUMGBGN-MFKMUULPSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@]2(C)CCCOC2)n1 ZINC000883081428 591537962 /nfs/dbraw/zinc/53/79/62/591537962.db2.gz DOGLCEJFMMZEGK-ZDUSSCGKSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@H]2CCC=CO2)n1 ZINC000883098481 591539399 /nfs/dbraw/zinc/53/93/99/591539399.db2.gz PSNJKXCCEZPNGR-NSHDSACASA-N 0 1 235.331 2.315 20 0 BEADMN CC[C@@]1(NCc2nc(C(C)C)c[nH]2)CCOC1 ZINC000883102436 591541271 /nfs/dbraw/zinc/54/12/71/591541271.db2.gz PJHCMMCKHUHPDI-CYBMUJFWSA-N 0 1 237.347 2.192 20 0 BEADMN C(C1CCCCCC1)[N@H+]1CCC2(C1)OCCO2 ZINC000131007046 591542059 /nfs/dbraw/zinc/54/20/59/591542059.db2.gz BNNYXROGDOXZED-UHFFFAOYSA-N 0 1 239.359 2.406 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CSC[C@@H]2C)n1 ZINC000883117766 591542442 /nfs/dbraw/zinc/54/24/42/591542442.db2.gz HWCSRSKXNBOXDR-GXSJLCMTSA-N 0 1 239.388 2.374 20 0 BEADMN CC[C@@](C)(CNCc1nc(C(C)C)c[nH]1)OC ZINC000883134433 591547877 /nfs/dbraw/zinc/54/78/77/591547877.db2.gz YAWMWLNCYOZZMT-ZDUSSCGKSA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CC23CC3)n1 ZINC000883149914 591553177 /nfs/dbraw/zinc/55/31/77/591553177.db2.gz ONQHAAZAZWZGMK-JTQLQIEISA-N 0 1 205.305 2.175 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CC23CC3)n1 ZINC000883149915 591553607 /nfs/dbraw/zinc/55/36/07/591553607.db2.gz ONQHAAZAZWZGMK-SNVBAGLBSA-N 0 1 205.305 2.175 20 0 BEADMN Nc1cnccc1CN[C@@H]1CCCC[C@@H]1F ZINC000883194403 591569372 /nfs/dbraw/zinc/56/93/72/591569372.db2.gz VPHMBYFDASEKSN-CMPLNLGQSA-N 0 1 223.295 2.034 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000214595805 591635836 /nfs/dbraw/zinc/63/58/36/591635836.db2.gz SUDMMQCOOAZPSY-CDCCAWJDSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883404911 591649650 /nfs/dbraw/zinc/64/96/50/591649650.db2.gz SXAJFDBCBACZIB-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883404796 591649811 /nfs/dbraw/zinc/64/98/11/591649811.db2.gz NOODKTGDJTZNSK-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCCCC1 ZINC000132612285 591724524 /nfs/dbraw/zinc/72/45/24/591724524.db2.gz UNDWVYINOFZPTL-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CCN(C/C=C(\C)C(=O)OC)Cc1ccncc1 ZINC000214733557 591781123 /nfs/dbraw/zinc/78/11/23/591781123.db2.gz FKXBZJOGILDMBS-KPKJPENVSA-N 0 1 248.326 2.023 20 0 BEADMN CCn1cc(CN([C@@H](C)C2CC2)C2CC2)nn1 ZINC000883997820 591789912 /nfs/dbraw/zinc/78/99/12/591789912.db2.gz CHEORNUZQHXCQM-JTQLQIEISA-N 0 1 234.347 2.061 20 0 BEADMN CCn1cc(CN(C2CC2)C2CCCC2)nn1 ZINC000884002177 591791619 /nfs/dbraw/zinc/79/16/19/591791619.db2.gz VBGLESJKGOJTKU-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN CC[C@@H]1CCCN(Cc2cn(CC)nn2)CC1 ZINC000884002303 591792296 /nfs/dbraw/zinc/79/22/96/591792296.db2.gz ZPUZTLHOIDFDQO-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@H](C)CN(CC)Cc1cn(CC)nn1 ZINC000884004136 591793482 /nfs/dbraw/zinc/79/34/82/591793482.db2.gz IPYNUXLADDODLJ-NSHDSACASA-N 0 1 224.352 2.166 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CC(N(C)C)C1 ZINC000135022784 591973786 /nfs/dbraw/zinc/97/37/86/591973786.db2.gz GBBFGXCXHOOUFS-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN COCC(C)(C)NC/C(Cl)=C/Cl ZINC000135078386 591981994 /nfs/dbraw/zinc/98/19/94/591981994.db2.gz HTOTVVBERXDDKU-DAXSKMNVSA-N 0 1 212.120 2.320 20 0 BEADMN CCN(C)Cc1ccc(C(=O)OC)cc1F ZINC000135328294 592007437 /nfs/dbraw/zinc/00/74/37/592007437.db2.gz ZDRUYRQGKNYPDR-UHFFFAOYSA-N 0 1 225.263 2.064 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2cc(C)co2)n[nH]1 ZINC000884709286 592013534 /nfs/dbraw/zinc/01/35/34/592013534.db2.gz BLXOAMAKWVKNNS-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN O=C(c1cnc[nH]1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885225518 592059567 /nfs/dbraw/zinc/05/95/67/592059567.db2.gz QIRRXADPVJQKJL-DGCLKSJQSA-N 0 1 245.326 2.060 20 0 BEADMN CC(C)COC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885259687 592061362 /nfs/dbraw/zinc/06/13/62/592061362.db2.gz ARICJOQZBDMDOJ-JOYOIKCWSA-N 0 1 236.315 2.275 20 0 BEADMN CC[C@H](C)OC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885261011 592061421 /nfs/dbraw/zinc/06/14/21/592061421.db2.gz HUUOYZGSNTXZIQ-HOTUBEGUSA-N 0 1 236.315 2.417 20 0 BEADMN CCCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885260671 592061552 /nfs/dbraw/zinc/06/15/52/592061552.db2.gz GFJZDELFZRIANW-SKDRFNHKSA-N 0 1 236.315 2.419 20 0 BEADMN Cc1coc(CNCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000885923078 592108595 /nfs/dbraw/zinc/10/85/95/592108595.db2.gz PLHCSJAVTBNGTD-LBPRGKRZSA-N 0 1 236.359 2.410 20 0 BEADMN CN(CC[C@@H]1C[C@H]1C1CC1)Cc1cc[nH]n1 ZINC000886008180 592128960 /nfs/dbraw/zinc/12/89/60/592128960.db2.gz IATWLPIDNNHNJB-YPMHNXCESA-N 0 1 219.332 2.278 20 0 BEADMN COc1ncc(C)cc1NCc1n[nH]c(C)c1C ZINC000886042134 592138697 /nfs/dbraw/zinc/13/86/97/592138697.db2.gz WJRAMDKGZOGWQA-UHFFFAOYSA-N 0 1 246.314 2.351 20 0 BEADMN COc1ncccc1NCc1n[nH]c(C)c1C ZINC000886038937 592139210 /nfs/dbraw/zinc/13/92/10/592139210.db2.gz FHOGXAUEKFCAHW-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CCn1nc(C)c(NCc2n[nH]c(C)c2C)c1C ZINC000886041583 592139392 /nfs/dbraw/zinc/13/93/92/592139392.db2.gz OQMLTXZWTSDGSM-UHFFFAOYSA-N 0 1 247.346 2.472 20 0 BEADMN Cc1[nH]nc(CNc2cnn(C)c2C2CC2)c1C ZINC000886066631 592141609 /nfs/dbraw/zinc/14/16/09/592141609.db2.gz BDBORPUVWFQNQK-UHFFFAOYSA-N 0 1 245.330 2.250 20 0 BEADMN FC(F)(F)SCCN1CC[C@@H]2C[C@@H]21 ZINC000886092195 592144459 /nfs/dbraw/zinc/14/44/59/592144459.db2.gz QTQUOKQYSXJYSL-RQJHMYQMSA-N 0 1 211.252 2.334 20 0 BEADMN CO[C@H]1CCC[C@@H](NC(CF)CF)CC1 ZINC000886129622 592160095 /nfs/dbraw/zinc/16/00/95/592160095.db2.gz JVNCLEQANXKXJH-KOLCDFICSA-N 0 1 221.291 2.231 20 0 BEADMN CCn1ccnc1[C@H](C)NCc1n[nH]c(C)c1C ZINC000886134429 592161054 /nfs/dbraw/zinc/16/10/54/592161054.db2.gz RSBCPSISGUTGTD-NSHDSACASA-N 0 1 247.346 2.094 20 0 BEADMN Cc1[nH]nc(CNCc2ccc(C)c(C)n2)c1C ZINC000886143152 592162670 /nfs/dbraw/zinc/16/26/70/592162670.db2.gz UWBQORZFQBKOFL-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN CC(C)N(C[C@@H]1CC[C@@H](C2CC2)O1)C1COC1 ZINC000886220347 592179762 /nfs/dbraw/zinc/17/97/62/592179762.db2.gz GTAUJXLUJGYLKZ-KBPBESRZSA-N 0 1 239.359 2.053 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2cc(C3CC3)no2)CO1 ZINC000886269289 592191952 /nfs/dbraw/zinc/19/19/52/592191952.db2.gz QZLKXIZZPHLEOV-GHMZBOCLSA-N 0 1 236.315 2.209 20 0 BEADMN C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ncco1 ZINC000886272695 592192393 /nfs/dbraw/zinc/19/23/93/592192393.db2.gz ZBVZVMOZCIKTFP-ZJUUUORDSA-N 0 1 224.304 2.283 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@H](C)c2ncco2)CCO1 ZINC000886272355 592192914 /nfs/dbraw/zinc/19/29/14/592192914.db2.gz NUIVLKAASAOVHY-OUAUKWLOSA-N 0 1 224.304 2.283 20 0 BEADMN Cc1cc(CNC[C@H]2CC3(CCC3)CO2)on1 ZINC000886287306 592201108 /nfs/dbraw/zinc/20/11/08/592201108.db2.gz OSUITQLNLLXBMZ-GFCCVEGCSA-N 0 1 236.315 2.032 20 0 BEADMN c1csc(CNC[C@H]2CC3(CCC3)CO2)n1 ZINC000886289422 592202019 /nfs/dbraw/zinc/20/20/19/592202019.db2.gz VHSDWYPAELFUMJ-SNVBAGLBSA-N 0 1 238.356 2.192 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1C[C@@]13CCOC3)C2 ZINC000886297580 592202724 /nfs/dbraw/zinc/20/27/24/592202724.db2.gz VAWRPPWWSGEJDT-UKRRQHHQSA-N 0 1 245.322 2.134 20 0 BEADMN FCC[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000886300264 592202974 /nfs/dbraw/zinc/20/29/74/592202974.db2.gz DMCFLKNMZAKTDX-MCIONIFRSA-N 0 1 241.350 2.483 20 0 BEADMN Cc1c[nH]nc1CN1CCC2(CCCCO2)CC1 ZINC000886318291 592207839 /nfs/dbraw/zinc/20/78/39/592207839.db2.gz OXXLVEZRVKIZKU-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN C[C@@H](C(=O)Nc1cccc(F)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886329566 592209979 /nfs/dbraw/zinc/20/99/79/592209979.db2.gz GHLNERJTVYSRET-GARJFASQSA-N 0 1 248.301 2.104 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@@H]3C2)sc1C ZINC000886335854 592211967 /nfs/dbraw/zinc/21/19/67/592211967.db2.gz IVBKYKJIDMIQNO-AOOOYVTPSA-N 0 1 208.330 2.212 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@@H]3C2)nc2ccccc12 ZINC000886342847 592212507 /nfs/dbraw/zinc/21/25/07/592212507.db2.gz KQUPNASUZGCXKA-TXEJJXNPSA-N 0 1 239.322 2.390 20 0 BEADMN CCN1CC[N@H+](CC)C[C@H]1Cc1ccccc1 ZINC000886381873 592222499 /nfs/dbraw/zinc/22/24/99/592222499.db2.gz WJVPUNXEAGAXBE-OAHLLOKOSA-N 0 1 232.371 2.255 20 0 BEADMN Cc1ncsc1CCN[C@@H](C)c1ncco1 ZINC000886532237 592249137 /nfs/dbraw/zinc/24/91/37/592249137.db2.gz GHNOTORJPCOMKX-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN COC(=O)CN1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886542807 592256002 /nfs/dbraw/zinc/25/60/02/592256002.db2.gz GMRFWRGFYVXVAJ-RISCZKNCSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1csc(CN2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886562135 592261960 /nfs/dbraw/zinc/26/19/60/592261960.db2.gz RLLVRZIZPNPAJS-AOOOYVTPSA-N 0 1 240.397 2.246 20 0 BEADMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1ncc[nH]1 ZINC000886702041 592307282 /nfs/dbraw/zinc/30/72/82/592307282.db2.gz ZLVVJRGPKNGONT-WDEREUQCSA-N 0 1 235.331 2.020 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221389561 592419355 /nfs/dbraw/zinc/41/93/55/592419355.db2.gz DGNODTMBFXOQOV-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN CN(CCCF)Cc1cn2ccccc2n1 ZINC000887137426 592451166 /nfs/dbraw/zinc/45/11/66/592451166.db2.gz HVCLKSWCXDXMNK-UHFFFAOYSA-N 0 1 221.279 2.126 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N(C)CCCF ZINC000887137317 592451761 /nfs/dbraw/zinc/45/17/61/592451761.db2.gz CMMFDAQLXMRGKN-LLVKDONJSA-N 0 1 238.306 2.305 20 0 BEADMN CCc1noc(C)c1CN(C)CCCF ZINC000887138655 592453399 /nfs/dbraw/zinc/45/33/99/592453399.db2.gz GBBHXEUDNMRNIV-UHFFFAOYSA-N 0 1 214.284 2.337 20 0 BEADMN C[C@@H]1CCc2c1[nH]n(C1CCSCC1)c2=O ZINC000887292949 592477031 /nfs/dbraw/zinc/47/70/31/592477031.db2.gz MWUUWTQNJJWNKO-PSASIEDQSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@H]1CCc2c1[nH]n(C1CCSCC1)c2=O ZINC000887292952 592477400 /nfs/dbraw/zinc/47/74/00/592477400.db2.gz MWUUWTQNJJWNKO-WPRPVWTQSA-N 0 1 238.356 2.126 20 0 BEADMN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000887370001 592494427 /nfs/dbraw/zinc/49/44/27/592494427.db2.gz CGFYYJQMJQKNFH-GHMZBOCLSA-N 0 1 247.342 2.066 20 0 BEADMN CCS[C@@H]1CCC[C@H]1NCc1nonc1C ZINC000300394972 592510021 /nfs/dbraw/zinc/51/00/21/592510021.db2.gz YQFXMSIEZPYULT-MWLCHTKSSA-N 0 1 241.360 2.142 20 0 BEADMN CSC[C@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000300783783 592519693 /nfs/dbraw/zinc/51/96/93/592519693.db2.gz VJYJPGRRUXQSKE-YUMQZZPRSA-N 0 1 229.349 2.192 20 0 BEADMN Cc1cc(C(=O)N(Cc2ccoc2)C2CC2)n[nH]1 ZINC000889097144 592580578 /nfs/dbraw/zinc/58/05/78/592580578.db2.gz DYMRQDFAPAVMCD-UHFFFAOYSA-N 0 1 245.282 2.116 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H]2C2CCCC2)n[nH]1 ZINC000889399110 592607939 /nfs/dbraw/zinc/60/79/39/592607939.db2.gz XUKPLFRXKDNSEB-GFCCVEGCSA-N 0 1 233.315 2.123 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000104429393 592613448 /nfs/dbraw/zinc/61/34/48/592613448.db2.gz CBLXUVCRTLRCFN-LBPRGKRZSA-N 0 1 236.315 2.092 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738800186 603327513 /nfs/dbraw/zinc/32/75/13/603327513.db2.gz GHEOGRJEZKECMK-NWDGAFQWSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000251848177 597057158 /nfs/dbraw/zinc/05/71/58/597057158.db2.gz RDMRBGFOUGFXBP-NXEZZACHSA-N 0 1 219.284 2.079 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CC1CCCCC1 ZINC000042493553 597061180 /nfs/dbraw/zinc/06/11/80/597061180.db2.gz JCNQEWALKHZCMU-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000083413897 597529906 /nfs/dbraw/zinc/52/99/06/597529906.db2.gz JIIVBRHLYDAJLR-JTQLQIEISA-N 0 1 239.340 2.271 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000084126487 597771512 /nfs/dbraw/zinc/77/15/12/597771512.db2.gz FLBPZECIZPQOHA-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H]1C1CC1 ZINC000706429821 597775377 /nfs/dbraw/zinc/77/53/77/597775377.db2.gz CAWLWOMKAXZGGM-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccnc2ccccc12 ZINC000086774841 598126761 /nfs/dbraw/zinc/12/67/61/598126761.db2.gz GJBOXFNHJZBMJL-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])s1 ZINC000054070370 598130932 /nfs/dbraw/zinc/13/09/32/598130932.db2.gz KPDDDQIEPXIYFD-QMMMGPOBSA-N 0 1 227.329 2.215 20 0 BEADMN CC1(C)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000706741504 598211594 /nfs/dbraw/zinc/21/15/94/598211594.db2.gz UKVOWTVOKBVTGC-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN CC[C@@H]1CCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000036170197 598218861 /nfs/dbraw/zinc/21/88/61/598218861.db2.gz FWQPRYHLFXZSMT-SNVBAGLBSA-N 0 1 234.299 2.406 20 0 BEADMN CC[C@@](C)([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000094228426 600563279 /nfs/dbraw/zinc/56/32/79/600563279.db2.gz CXMFEUKNNNWZAY-CYBMUJFWSA-N 0 1 248.282 2.171 20 0 BEADMN C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000049354457 600733848 /nfs/dbraw/zinc/73/38/48/600733848.db2.gz CQRUHVNHCZJOCY-GWCFXTLKSA-N 0 1 245.278 2.432 20 0 BEADMN C[N@H+](CCC(=O)[O-])CCC1CCCCC1 ZINC000082718045 599719979 /nfs/dbraw/zinc/71/99/79/599719979.db2.gz UHYSFRKNWHJLRV-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738587542 599797582 /nfs/dbraw/zinc/79/75/82/599797582.db2.gz QCYAQKKFCURDKB-NSHDSACASA-N 0 1 237.274 2.090 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000706429904 599962739 /nfs/dbraw/zinc/96/27/39/599962739.db2.gz DAEQOWMVHWSLMT-GFCCVEGCSA-N 0 1 235.283 2.352 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000707103860 599964485 /nfs/dbraw/zinc/96/44/85/599964485.db2.gz XLQBYHKITJFRCP-NSHDSACASA-N 0 1 235.283 2.352 20 0 BEADMN O=C([O-])c1ccoc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000706431561 599964707 /nfs/dbraw/zinc/96/47/07/599964707.db2.gz KOXWWHGTCOXDQD-LLVKDONJSA-N 0 1 235.283 2.352 20 0 BEADMN Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)[O-])s1 ZINC000082250112 600111240 /nfs/dbraw/zinc/11/12/40/600111240.db2.gz QNNAKUUDWSZKFQ-QMMMGPOBSA-N 0 1 242.344 2.227 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000738588181 600138706 /nfs/dbraw/zinc/13/87/06/600138706.db2.gz YPISEAAKBSBFII-SNVBAGLBSA-N 0 1 237.274 2.090 20 0 BEADMN Cc1[nH+]cn(Cc2ccc(F)cc2C(=O)[O-])c1C ZINC000071265205 600219221 /nfs/dbraw/zinc/21/92/21/600219221.db2.gz WKVPCPVQSLYYHS-UHFFFAOYSA-N 0 1 248.257 2.386 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000309703845 600317260 /nfs/dbraw/zinc/31/72/60/600317260.db2.gz UNXNOJBOALPVLY-NSHDSACASA-N 0 1 222.288 2.016 20 0 BEADMN CC[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCC1 ZINC000706847569 600432386 /nfs/dbraw/zinc/43/23/86/600432386.db2.gz QGBWCXRGEKJSEN-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)[O-])o1 ZINC000381136938 600968446 /nfs/dbraw/zinc/96/84/46/600968446.db2.gz LXDARMJSJIDXIO-JTQLQIEISA-N 0 1 223.272 2.200 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000310331811 601012115 /nfs/dbraw/zinc/01/21/15/601012115.db2.gz LUZFVOHWGRZDGP-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)c1ccco1)C(=O)[O-] ZINC000706341826 601159639 /nfs/dbraw/zinc/15/96/39/601159639.db2.gz MFODKOVVYCHVIG-ABRRARGCSA-N 0 1 223.272 2.303 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1C1CCC1)C(=O)[O-] ZINC000688198321 601162636 /nfs/dbraw/zinc/16/26/36/601162636.db2.gz ICJPGMMCDWUJIW-UMAGTOLTSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000706735155 601339478 /nfs/dbraw/zinc/33/94/78/601339478.db2.gz LEUCSKBLERTZMW-OLZOCXBDSA-N 0 1 231.295 2.369 20 0 BEADMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000706889901 601339257 /nfs/dbraw/zinc/33/92/57/601339257.db2.gz WMRXWDCVBCUXCY-ONGXEEELSA-N 0 1 235.283 2.271 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000162094914 601428552 /nfs/dbraw/zinc/42/85/52/601428552.db2.gz FBGHMQBEKWQWQN-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000237448834 601498450 /nfs/dbraw/zinc/49/84/50/601498450.db2.gz YNIFITISJMBXOG-MWLCHTKSSA-N 0 1 237.274 2.088 20 0 BEADMN C[C@H](C[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000086774666 601504173 /nfs/dbraw/zinc/50/41/73/601504173.db2.gz YIYYVXYMMOAFGU-BZPMIXESSA-N 0 1 247.338 2.443 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000235359257 601504843 /nfs/dbraw/zinc/50/48/43/601504843.db2.gz OCMLZOBHUQXCKK-NXEZZACHSA-N 0 1 213.321 2.075 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)C1(C)CC1)C(=O)[O-] ZINC000385188686 601612262 /nfs/dbraw/zinc/61/22/62/601612262.db2.gz LQJMNVFBQOTVNI-HYHWUIIZSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)C1(C)CC1)C(=O)[O-] ZINC000385188688 601612553 /nfs/dbraw/zinc/61/25/53/601612553.db2.gz LQJMNVFBQOTVNI-NAZIUFLLSA-N 0 1 211.305 2.138 20 0 BEADMN CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739364810 601925840 /nfs/dbraw/zinc/92/58/40/601925840.db2.gz NQNADGPEQHEMPG-NWDGAFQWSA-N 0 1 240.347 2.393 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739056752 601957435 /nfs/dbraw/zinc/95/74/35/601957435.db2.gz FUTMBLHUIAHWRV-VXGBXAGGSA-N 0 1 248.326 2.337 20 0 BEADMN CCC[C@H]1CCC[N@H+]([C@@H](CC)C(=O)[O-])C1 ZINC000191422536 601967239 /nfs/dbraw/zinc/96/72/39/601967239.db2.gz DAQAPPOOTGWJOQ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738760503 601976131 /nfs/dbraw/zinc/97/61/31/601976131.db2.gz SSFSXQQVLNXTRN-LLVKDONJSA-N 0 1 226.320 2.027 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000738890605 602258411 /nfs/dbraw/zinc/25/84/11/602258411.db2.gz NFQLQYJKQMKVBJ-JTQLQIEISA-N 0 1 240.347 2.107 20 0 BEADMN CCCC[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000739331401 602275527 /nfs/dbraw/zinc/27/55/27/602275527.db2.gz AQMQYFCXDZERQZ-QWRGUYRKSA-N 0 1 228.336 2.297 20 0 BEADMN CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739237893 602554939 /nfs/dbraw/zinc/55/49/39/602554939.db2.gz PETOVZYEMQOLRS-RYUDHWBXSA-N 0 1 242.363 2.354 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739240260 602554760 /nfs/dbraw/zinc/55/47/60/602554760.db2.gz WCBLPPJALIFIEB-NSHDSACASA-N 0 1 242.363 2.354 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000740126043 602560573 /nfs/dbraw/zinc/56/05/73/602560573.db2.gz IJYWLQZSBGMYML-NSHDSACASA-N 0 1 236.315 2.083 20 0 BEADMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[O-] ZINC000740155713 602663513 /nfs/dbraw/zinc/66/35/13/602663513.db2.gz ULTCGEQPBXRUJO-DGCLKSJQSA-N 0 1 246.310 2.281 20 0 BEADMN CN(C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1)C(=O)[O-] ZINC000739659735 602679565 /nfs/dbraw/zinc/67/95/65/602679565.db2.gz KMOXHYLYNHJLTQ-RYUDHWBXSA-N 0 1 238.331 2.027 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000739586294 602679599 /nfs/dbraw/zinc/67/95/99/602679599.db2.gz QPTXTQZZPWTGID-NWDGAFQWSA-N 0 1 238.331 2.169 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738766818 602702131 /nfs/dbraw/zinc/70/21/31/602702131.db2.gz NPIWVONAZOCNCX-NEPJUHHUSA-N 0 1 242.363 2.353 20 0 BEADMN CC[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739263299 602705215 /nfs/dbraw/zinc/70/52/15/602705215.db2.gz CCZYTGVDNQNCAL-NEPJUHHUSA-N 0 1 240.347 2.251 20 0 BEADMN Cc1ccc(C[N@@H+]2CCN(C(=O)[O-])C[C@H]2C)cc1 ZINC000740125342 602740190 /nfs/dbraw/zinc/74/01/90/602740190.db2.gz CXNQWMSSJWCXKO-GFCCVEGCSA-N 0 1 248.326 2.179 20 0 BEADMN CC[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)C1CCC1 ZINC000739413655 602865851 /nfs/dbraw/zinc/86/58/51/602865851.db2.gz IHJCJGRKFSIJLH-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CCCCC[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739329902 603022119 /nfs/dbraw/zinc/02/21/19/603022119.db2.gz KIYRGZZLEROAFB-LLVKDONJSA-N 0 1 228.336 2.108 20 0 BEADMN CC[N@@H+](CCNC(=O)[O-])Cc1cccc(C)c1 ZINC000739433108 603081331 /nfs/dbraw/zinc/08/13/31/603081331.db2.gz FXGBLYDDJNKVOO-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN Cc1ccc([C@H]2CCC[N@H+]2CCNC(=O)[O-])cc1 ZINC000740119907 603082396 /nfs/dbraw/zinc/08/23/96/603082396.db2.gz XOVVJXNJGWEXTH-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000740657422 603082673 /nfs/dbraw/zinc/08/26/73/603082673.db2.gz AXKRKUMIIHFKNF-LBPRGKRZSA-N 0 1 234.299 2.091 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000740657421 603082870 /nfs/dbraw/zinc/08/28/70/603082870.db2.gz AXKRKUMIIHFKNF-GFCCVEGCSA-N 0 1 234.299 2.091 20 0 BEADMN C[N@@H+](CCCNC(=O)[O-])CCC(C)(C)C ZINC000739681117 603247806 /nfs/dbraw/zinc/24/78/06/603247806.db2.gz DBVIPJZJMJFZMA-UHFFFAOYSA-N 0 1 216.325 2.012 20 0 BEADMN C[N@@H+](CCCNC(=O)[O-])CC1CCCCC1 ZINC000739682459 603253330 /nfs/dbraw/zinc/25/33/30/603253330.db2.gz QCUXVFPJAWCTEU-UHFFFAOYSA-N 0 1 228.336 2.156 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739354752 603330086 /nfs/dbraw/zinc/33/00/86/603330086.db2.gz RZNDTMOTZRYEJB-GFCCVEGCSA-N 0 1 242.363 2.354 20 0 BEADMN C[C@H]1CCCCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739099044 603346101 /nfs/dbraw/zinc/34/61/01/603346101.db2.gz BWPZVTPWISFNHJ-RYUDHWBXSA-N 0 1 240.347 2.251 20 0 BEADMN CCCCCC[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739333195 603410466 /nfs/dbraw/zinc/41/04/66/603410466.db2.gz VQMXXEUUXDHLDQ-NSHDSACASA-N 0 1 228.336 2.156 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCN(C(=O)[O-])C1 ZINC000739094622 603514083 /nfs/dbraw/zinc/51/40/83/603514083.db2.gz YNLZLPJJKMSFLP-TUAOUCFPSA-N 0 1 240.347 2.249 20 0 BEADMN Cc1cn(Cc2ccc(F)cc2C(=O)[O-])c(C)[nH+]1 ZINC000715100802 604353433 /nfs/dbraw/zinc/35/34/33/604353433.db2.gz ABGNQIVDZXLTPW-UHFFFAOYSA-N 0 1 248.257 2.386 20 0 BEADMN Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)[O-] ZINC000830552882 604359436 /nfs/dbraw/zinc/35/94/36/604359436.db2.gz CNQJGBYUWNFZQM-NSHDSACASA-N 0 1 236.315 2.255 20 0 BEADMN CCc1ccc(C[N@@H+](CC)CC(=O)[O-])s1 ZINC000038017882 604628466 /nfs/dbraw/zinc/62/84/66/604628466.db2.gz WZJHHGVWTSDOGP-UHFFFAOYSA-N 0 1 227.329 2.217 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCC(C)CC2)C[C@@H]1C(=O)[O-] ZINC000227489112 604670673 /nfs/dbraw/zinc/67/06/73/604670673.db2.gz BOAIXOSXGSWQCB-MVKMKZAISA-N 0 1 239.359 2.465 20 0 BEADMN CC(C)(C)C1=CC[N@@H+](CCC(=O)[O-])CC1 ZINC000308859892 604769498 /nfs/dbraw/zinc/76/94/98/604769498.db2.gz RBIWUUIBLXBKEV-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN CCOCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000158032869 605057190 /nfs/dbraw/zinc/05/71/90/605057190.db2.gz WFHKIWBALZFHNK-VIFPVBQESA-N 0 1 241.287 2.007 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000086756572 605243914 /nfs/dbraw/zinc/24/39/14/605243914.db2.gz HTVXELNBRNQZIC-LURJTMIESA-N 0 1 247.216 2.009 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@@H](C(C)(C)C)C1)C(=O)[O-] ZINC000252880626 605426952 /nfs/dbraw/zinc/42/69/52/605426952.db2.gz YLAUICQLSVFFMU-GULOHRGCSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)(C)[C@@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000166400851 605427302 /nfs/dbraw/zinc/42/73/02/605427302.db2.gz LJZOBZZHKHMNSM-MNOVXSKESA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC(=O)[O-] ZINC000309677043 605699475 /nfs/dbraw/zinc/69/94/75/605699475.db2.gz MBYAZCJOTVSNQV-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000062751188 605828668 /nfs/dbraw/zinc/82/86/68/605828668.db2.gz ZKTAJSMPKXTDET-UHFFFAOYSA-N 0 1 223.247 2.118 20 0 BEADMN CC1CN(Cc2cc(Cl)ccc2N)C1 ZINC000606282406 986847893 /nfs/dbraw/zinc/84/78/93/986847893.db2.gz HUPBAUOGTOXSLH-UHFFFAOYSA-N 0 1 210.708 2.374 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])o1 ZINC000299975496 634404352 /nfs/dbraw/zinc/40/43/52/634404352.db2.gz CFSGUABBXYOBKM-DRZSPHRISA-N 0 1 249.310 2.273 20 0 BEADMN Cc1ccc(CN2CCC3(C2)OCCO3)s1 ZINC000093013078 634455132 /nfs/dbraw/zinc/45/51/32/634455132.db2.gz MDMQLIFXGPEQCI-UHFFFAOYSA-N 0 1 239.340 2.005 20 0 BEADMN C[C@H](CCC1CC1)N[C@H](C)c1nnnn1C1CC1 ZINC000190681084 634479589 /nfs/dbraw/zinc/47/95/89/634479589.db2.gz UEZKVZAXHLZGAS-NXEZZACHSA-N 0 1 249.362 2.237 20 0 BEADMN Fc1cc(F)c(CN[C@H]2CCCOC2)c(F)c1 ZINC000336382605 635136960 /nfs/dbraw/zinc/13/69/60/635136960.db2.gz AXCHWHRSMFPPNA-VIFPVBQESA-N 0 1 245.244 2.373 20 0 BEADMN CC(=O)C1CCN(Cc2cccnc2C)CC1 ZINC000310109076 634527524 /nfs/dbraw/zinc/52/75/24/634527524.db2.gz QIWJOYOUVJMVJO-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CCOC(CN[C@H](C)c1cccnc1)OCC ZINC000093447116 634541853 /nfs/dbraw/zinc/54/18/53/634541853.db2.gz AOQRJSONFGIRHT-LLVKDONJSA-N 0 1 238.331 2.131 20 0 BEADMN c1nc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c[nH]1 ZINC000931924826 635458979 /nfs/dbraw/zinc/45/89/79/635458979.db2.gz YUKXDQUCLOZCJM-DZGCQCFKSA-N 0 1 239.322 2.183 20 0 BEADMN COC(OC)[C@@H](C)NCc1cc(C)ccc1F ZINC000234595199 635555764 /nfs/dbraw/zinc/55/57/64/635555764.db2.gz PIRBUSSWUBOCDY-SNVBAGLBSA-N 0 1 241.306 2.231 20 0 BEADMN CC[C@H](N[C@@H]1CNOC1)c1ccc(Cl)s1 ZINC000925865282 635565379 /nfs/dbraw/zinc/56/53/79/635565379.db2.gz XAKKNKLHJBWRKV-SFYZADRCSA-N 0 1 246.763 2.346 20 0 BEADMN CS[C@@H]1CCC[C@H](NCc2ncccn2)C1 ZINC000235226054 635570016 /nfs/dbraw/zinc/57/00/16/635570016.db2.gz NPVHKCICOPRUGI-WDEREUQCSA-N 0 1 237.372 2.240 20 0 BEADMN CC[C@H](C[C@@](C)(O)CC)NCc1cocn1 ZINC000925869393 635579681 /nfs/dbraw/zinc/57/96/81/635579681.db2.gz KSDXRUQZLNTGAH-PWSUYJOCSA-N 0 1 226.320 2.094 20 0 BEADMN COC[C@@H]1COCCN1CCCC(C)(C)C ZINC000933332099 631262760 /nfs/dbraw/zinc/26/27/60/631262760.db2.gz RBRJBTNUCGTYML-GFCCVEGCSA-N 0 1 229.364 2.160 20 0 BEADMN CCSCSc1nc(C2CC2)n[nH]1 ZINC000308284261 631264760 /nfs/dbraw/zinc/26/47/60/631264760.db2.gz ZQGFVKKMYPHYCA-UHFFFAOYSA-N 0 1 215.347 2.485 20 0 BEADMN CCSCSc1n[nH]c(C2CC2)n1 ZINC000308284261 631264764 /nfs/dbraw/zinc/26/47/64/631264764.db2.gz ZQGFVKKMYPHYCA-UHFFFAOYSA-N 0 1 215.347 2.485 20 0 BEADMN COc1ccc(OC)c(-c2cc([C@H](C)N)on2)c1 ZINC000075789062 631275412 /nfs/dbraw/zinc/27/54/12/631275412.db2.gz TWEFRVLJXCYMGN-QMMMGPOBSA-N 0 1 248.282 2.379 20 0 BEADMN COC[C@H]1COCCN1CCCC1CCCC1 ZINC000933336412 631277400 /nfs/dbraw/zinc/27/74/00/631277400.db2.gz QAYIVZAOMLHKEI-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CN(CCc1ccccc1)Cc1ccno1 ZINC000077171368 631316612 /nfs/dbraw/zinc/31/66/12/631316612.db2.gz FUFSYIVCSHZNCW-UHFFFAOYSA-N 0 1 216.284 2.349 20 0 BEADMN CCCCOCCN(C)Cc1cccc(=O)[nH]1 ZINC000933396365 631360380 /nfs/dbraw/zinc/36/03/80/631360380.db2.gz VZWCOSSNKXGSGI-UHFFFAOYSA-N 0 1 238.331 2.036 20 0 BEADMN CC(C)N(C)Cc1ccnn1C1CCC1 ZINC000891452111 631362717 /nfs/dbraw/zinc/36/27/17/631362717.db2.gz USPFPFLLLVGYRP-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CC[C@@H]1CCC[C@H](NCc2nonc2C)C1 ZINC000082847597 631414907 /nfs/dbraw/zinc/41/49/07/631414907.db2.gz ACMDYICAHXIUIN-MNOVXSKESA-N 0 1 223.320 2.436 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000308787492 631419194 /nfs/dbraw/zinc/41/91/94/631419194.db2.gz GWKPJKDAKSBDCB-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)(C)c1csc(CNC(C)(C)CO)n1 ZINC000087375522 631479202 /nfs/dbraw/zinc/47/92/02/631479202.db2.gz DDECXVPFHBPOPQ-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN COc1ccc(C(C)C)cc1CN1CC[C@H]1CO ZINC000934012987 631589579 /nfs/dbraw/zinc/58/95/79/631589579.db2.gz SXXFYOMZRPAXIL-AWEZNQCLSA-N 0 1 249.354 2.385 20 0 BEADMN C[C@@H](N[C@H](CCO)C1CCCC1)c1ncccn1 ZINC000934013317 631590690 /nfs/dbraw/zinc/59/06/90/631590690.db2.gz APEZYTANKHITBY-DGCLKSJQSA-N 0 1 249.358 2.068 20 0 BEADMN CC(C)(C)Oc1cccc(CN2CC[C@@H]2CO)c1 ZINC000934012641 631591864 /nfs/dbraw/zinc/59/18/64/631591864.db2.gz CHSCIIXERBHHHU-CYBMUJFWSA-N 0 1 249.354 2.431 20 0 BEADMN CCSc1ccccc1CN1CC[C@@H]1CO ZINC000934016725 631614072 /nfs/dbraw/zinc/61/40/72/631614072.db2.gz WWDYRIJFXXBBEQ-GFCCVEGCSA-N 0 1 237.368 2.365 20 0 BEADMN OC[C@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000934031291 631631081 /nfs/dbraw/zinc/63/10/81/631631081.db2.gz PXMQNWVTOVVAAB-LLVKDONJSA-N 0 1 245.244 2.272 20 0 BEADMN OC[C@H]1CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000934031291 631631083 /nfs/dbraw/zinc/63/10/83/631631083.db2.gz PXMQNWVTOVVAAB-LLVKDONJSA-N 0 1 245.244 2.272 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cc(C)cc(C)n1 ZINC000934112324 631687972 /nfs/dbraw/zinc/68/79/72/631687972.db2.gz YCHICPILTXBUHK-ZIAGYGMSSA-N 0 1 234.343 2.308 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2cccs2)n1 ZINC000041052637 631692556 /nfs/dbraw/zinc/69/25/56/631692556.db2.gz ACFIXPDZPMTCLR-QMMMGPOBSA-N 0 1 223.301 2.454 20 0 BEADMN CCc1noc(C)c1CN(C)[C@H]1CC[C@@H]1OC ZINC000934124519 631703911 /nfs/dbraw/zinc/70/39/11/631703911.db2.gz FJUGTFGSUARWLV-STQMWFEESA-N 0 1 238.331 2.155 20 0 BEADMN FC(F)C1(N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926364054 631749893 /nfs/dbraw/zinc/74/98/93/631749893.db2.gz CDVIZSXLSVWBGM-QWRGUYRKSA-N 0 1 244.329 2.391 20 0 BEADMN O[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1F ZINC000934581187 631953566 /nfs/dbraw/zinc/95/35/66/631953566.db2.gz MDQWCIWTVDFDTC-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@@H]1CCN(CCCc2ccccc2)C[C@@H]1F ZINC000934581187 631953572 /nfs/dbraw/zinc/95/35/72/631953572.db2.gz MDQWCIWTVDFDTC-UONOGXRCSA-N 0 1 237.318 2.024 20 0 BEADMN CC1(CNCc2cnn(-c3ccccc3)n2)CC1 ZINC000224189575 632008407 /nfs/dbraw/zinc/00/84/07/632008407.db2.gz YDFPHPDQYVKJEY-UHFFFAOYSA-N 0 1 242.326 2.157 20 0 BEADMN CC[C@@H](C)CN(C)CN1C(=O)CC12CCC2 ZINC000743364621 632047720 /nfs/dbraw/zinc/04/77/20/632047720.db2.gz OFFIFLGLGRMUOV-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN CC(C)OC(=O)C(C)(C)NC[Si](C)(C)C ZINC000934818140 632090731 /nfs/dbraw/zinc/09/07/31/632090731.db2.gz SWGWWSPEWYLYKS-UHFFFAOYSA-N 0 1 231.412 2.184 20 0 BEADMN Cn1c(Cl)cnc1CN[C@@H]1CC12CCCC2 ZINC000309473711 632101471 /nfs/dbraw/zinc/10/14/71/632101471.db2.gz BIUVKFOHLXCLFW-SECBINFHSA-N 0 1 239.750 2.496 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2c(C)coc2C)n[nH]1 ZINC000840555413 632129414 /nfs/dbraw/zinc/12/94/14/632129414.db2.gz PPTGJKWNBARIOG-MRVPVSSYSA-N 0 1 249.270 2.241 20 0 BEADMN Cc1ncsc1CN[C@@H](C)c1ccnnc1 ZINC000924969521 635817491 /nfs/dbraw/zinc/81/74/91/635817491.db2.gz JUKUMXDMFKUXMP-QMMMGPOBSA-N 0 1 234.328 2.092 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1ccnnc1 ZINC000924969516 635817618 /nfs/dbraw/zinc/81/76/18/635817618.db2.gz JUKUMXDMFKUXMP-MRVPVSSYSA-N 0 1 234.328 2.092 20 0 BEADMN CCc1cnc(CN[C@H]2CCC[C@H]2OC)s1 ZINC000309488331 632418230 /nfs/dbraw/zinc/41/82/30/632418230.db2.gz WFOXPBVPGORABO-WDEREUQCSA-N 0 1 240.372 2.363 20 0 BEADMN CCC[C@H](C)C[N@@H+](CC)CCC(=O)[O-] ZINC000051322634 632505179 /nfs/dbraw/zinc/50/51/79/632505179.db2.gz WXQYECXKWNELCR-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN CO[C@@H](CNCc1cccs1)C(F)(F)F ZINC000308970297 632600703 /nfs/dbraw/zinc/60/07/03/632600703.db2.gz YTUYNHSJEYXDKK-QMMMGPOBSA-N 0 1 239.262 2.415 20 0 BEADMN C[C@@H](NCc1cccn1C)c1cncs1 ZINC000268935338 632611768 /nfs/dbraw/zinc/61/17/68/632611768.db2.gz NASWYFRPAXQFIE-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CC[C@@H]1CCN(Cn2cccnc2=S)C1 ZINC000176947955 632665312 /nfs/dbraw/zinc/66/53/12/632665312.db2.gz ZXRNZHQISDDNFO-SNVBAGLBSA-N 0 1 223.345 2.302 20 0 BEADMN CCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000176985278 632676903 /nfs/dbraw/zinc/67/69/03/632676903.db2.gz FHJKPLFQUSXHMR-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CSCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000309884426 632678138 /nfs/dbraw/zinc/67/81/38/632678138.db2.gz XLVDYUSESUVLMX-SNVBAGLBSA-N 0 1 239.388 2.233 20 0 BEADMN CCN1CCN(C(=O)OC2CCCC2)C[C@H]1C ZINC000310187695 632706767 /nfs/dbraw/zinc/70/67/67/632706767.db2.gz WSPGNAPGJQFVCB-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1cc(CO)on1 ZINC000926617324 632708737 /nfs/dbraw/zinc/70/87/37/632708737.db2.gz XKLQNWHHCBSCMC-LJUAHTATSA-N 0 1 236.315 2.006 20 0 BEADMN CN[C@@H](C)c1cn(-c2cc(C)cc(C)c2)nn1 ZINC000310532766 632756511 /nfs/dbraw/zinc/75/65/11/632756511.db2.gz ZTIPWLZZLKLLTA-NSHDSACASA-N 0 1 230.315 2.165 20 0 BEADMN CN[C@H](C)c1cn(-c2cc(C)cc(C)c2)nn1 ZINC000310532765 632757049 /nfs/dbraw/zinc/75/70/49/632757049.db2.gz ZTIPWLZZLKLLTA-LLVKDONJSA-N 0 1 230.315 2.165 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926646214 632767667 /nfs/dbraw/zinc/76/76/67/632767667.db2.gz KPRHIZIHKBIICE-KKOKHZNYSA-N 0 1 248.326 2.270 20 0 BEADMN COCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000924536775 632768355 /nfs/dbraw/zinc/76/83/55/632768355.db2.gz BFBDTEJWLMAJKM-LLVKDONJSA-N 0 1 241.718 2.147 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926646215 632769133 /nfs/dbraw/zinc/76/91/33/632769133.db2.gz KPRHIZIHKBIICE-KXNHARMFSA-N 0 1 248.326 2.270 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1ccccc1 ZINC000924540763 632787245 /nfs/dbraw/zinc/78/72/45/632787245.db2.gz GOHPCYHNDMBTKO-MNOVXSKESA-N 0 1 230.315 2.227 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235672682 632812887 /nfs/dbraw/zinc/81/28/87/632812887.db2.gz VHMGHVXEUZAWOO-UWVGGRQHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)CC1 ZINC000235669388 632812961 /nfs/dbraw/zinc/81/29/61/632812961.db2.gz YXBWMGAIARHUMQ-NSHDSACASA-N 0 1 248.326 2.402 20 0 BEADMN Clc1ccc(CSc2cn[nH]n2)cn1 ZINC000177363001 632814711 /nfs/dbraw/zinc/81/47/11/632814711.db2.gz FVLLMJUTHFFQOP-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2cccs2)c2ncnn21 ZINC000924550706 632818406 /nfs/dbraw/zinc/81/84/06/632818406.db2.gz AXIHOJULRDCTSE-MWLCHTKSSA-N 0 1 248.355 2.178 20 0 BEADMN COc1ccnc([C@@H](C)N[C@@H]2C=CCC2)c1 ZINC000926692000 632827237 /nfs/dbraw/zinc/82/72/37/632827237.db2.gz UWCSAWCJARNARK-GHMZBOCLSA-N 0 1 218.300 2.459 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cs1 ZINC000309251383 632843882 /nfs/dbraw/zinc/84/38/82/632843882.db2.gz BKBWKZUMLOUUML-GFCCVEGCSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1ccc(C[NH2+]Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000235883693 632844040 /nfs/dbraw/zinc/84/40/40/632844040.db2.gz IBKJCYYPZKWVRD-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@]1(C)CC1(F)F ZINC000926704481 632844151 /nfs/dbraw/zinc/84/41/51/632844151.db2.gz SNGWKMRWTVBGCQ-OIBJUYFYSA-N 0 1 245.273 2.464 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)Nc1c[nH]nn1 ZINC000935596487 632849346 /nfs/dbraw/zinc/84/93/46/632849346.db2.gz KJBZYGUQQIQKIH-QMMMGPOBSA-N 0 1 224.308 2.206 20 0 BEADMN CCCCC[C@@H](CC)C(=O)Nc1c[nH]nn1 ZINC000935596484 632849688 /nfs/dbraw/zinc/84/96/88/632849688.db2.gz KIIASKYFUZGTOD-SECBINFHSA-N 0 1 224.308 2.350 20 0 BEADMN CCC(F)(F)CNC1[C@@H](C)COC[C@@H]1C ZINC000926760282 632995349 /nfs/dbraw/zinc/99/53/49/632995349.db2.gz ZANVDDSJMPSDPV-IUCAKERBSA-N 0 1 221.291 2.292 20 0 BEADMN C[C@@H](NC/C=C/c1ccccc1)c1cnnn1C ZINC000925049259 635871156 /nfs/dbraw/zinc/87/11/56/635871156.db2.gz GYKSTRHBNHMQFS-UVMWJGKXSA-N 0 1 242.326 2.179 20 0 BEADMN CN1CCN(C(=O)CCC2(C)CC2)CC1(C)C ZINC000935805744 633018358 /nfs/dbraw/zinc/01/83/58/633018358.db2.gz TWMNNZUQLQPRIK-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)C(C)(F)F)n[nH]1 ZINC000840576037 633043845 /nfs/dbraw/zinc/04/38/45/633043845.db2.gz DLERTSJCPVACHU-NTSWFWBYSA-N 0 1 247.245 2.009 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@@H](C)[C@H]2C)on1 ZINC000925067270 635887863 /nfs/dbraw/zinc/88/78/63/635887863.db2.gz MWIBKXATNKACAN-GBIKHYSHSA-N 0 1 238.331 2.311 20 0 BEADMN Cc1[nH]nc(CN2CC[C@H](C)[C@@H](F)C2)c1C ZINC000894415921 635896780 /nfs/dbraw/zinc/89/67/80/635896780.db2.gz QRJSAZYNXNJITL-KWQFWETISA-N 0 1 225.311 2.206 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000309465725 633105620 /nfs/dbraw/zinc/10/56/20/633105620.db2.gz SRCFBIDUYYMMPX-GFCCVEGCSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1nc(C)c(CNC[C@H]2CCC=CO2)o1 ZINC000311675860 633151337 /nfs/dbraw/zinc/15/13/37/633151337.db2.gz KNPAYPXAWOIVOS-LLVKDONJSA-N 0 1 222.288 2.074 20 0 BEADMN C[C@H](N[C@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000309552113 633196535 /nfs/dbraw/zinc/19/65/35/633196535.db2.gz IORUWMDMMXORGC-XPUUQOCRSA-N 0 1 233.237 2.328 20 0 BEADMN C[C@H](NC[C@@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926839890 633202556 /nfs/dbraw/zinc/20/25/56/633202556.db2.gz BGCXAUBXZSHLEE-TVQRCGJNSA-N 0 1 238.331 2.254 20 0 BEADMN C[C@@H](O)c1cc(NCc2cnc[nH]2)ccc1F ZINC000894756631 635922199 /nfs/dbraw/zinc/92/21/99/635922199.db2.gz KGLUPYPYIHOJOY-MRVPVSSYSA-N 0 1 235.262 2.214 20 0 BEADMN C[C@H](O)c1cc(NCc2cnc[nH]2)ccc1F ZINC000894756632 635922747 /nfs/dbraw/zinc/92/27/47/635922747.db2.gz KGLUPYPYIHOJOY-QMMMGPOBSA-N 0 1 235.262 2.214 20 0 BEADMN CCc1cc(CNc2nccs2)n[nH]1 ZINC000307100075 635983599 /nfs/dbraw/zinc/98/35/99/635983599.db2.gz SRVNXKGTZWNSAA-UHFFFAOYSA-N 0 1 208.290 2.041 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@@H](C)CSC)n1 ZINC000925096090 636002675 /nfs/dbraw/zinc/00/26/75/636002675.db2.gz MGZXAGKQMSLBEJ-DTWKUNHWSA-N 0 1 242.392 2.009 20 0 BEADMN CCCC(C)(C)CC(=O)NC[C@H]1CCN1C ZINC000928554229 636090245 /nfs/dbraw/zinc/09/02/45/636090245.db2.gz GLJNTSVUVMSDEX-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCN(C)Cn1cc(Br)cn1 ZINC000126921477 636093705 /nfs/dbraw/zinc/09/37/05/636093705.db2.gz ABSWPXYEDPLGQY-UHFFFAOYSA-N 0 1 246.152 2.335 20 0 BEADMN CC(C)CCCCC(=O)NC[C@H]1CCN1C ZINC000928557064 636096339 /nfs/dbraw/zinc/09/63/39/636096339.db2.gz YUZAXZOKNDBTAN-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H](CNCc1ocnc1C)OCC ZINC000895389675 636141434 /nfs/dbraw/zinc/14/14/34/636141434.db2.gz PCTWDQIYNHUSFQ-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@H]1CCN1C ZINC000928571372 636118232 /nfs/dbraw/zinc/11/82/32/636118232.db2.gz MVHGIUAJPHZYDV-BZPMIXESSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(NC1CCCCC1)c1cncc2nc[nH]c21 ZINC000895439728 636142995 /nfs/dbraw/zinc/14/29/95/636142995.db2.gz JCBROMWJUAFTHE-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC1CCCCC1 ZINC000895439282 636143185 /nfs/dbraw/zinc/14/31/85/636143185.db2.gz AJTPSPMBUMYDBJ-LBPRGKRZSA-N 0 1 238.375 2.308 20 0 BEADMN CS[C@H](C)CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000122590201 633789144 /nfs/dbraw/zinc/78/91/44/633789144.db2.gz ZJUIUTVEPAVKQB-SSDOTTSWSA-N 0 1 240.328 2.252 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2C)[nH]1 ZINC000103466441 633818196 /nfs/dbraw/zinc/81/81/96/633818196.db2.gz APKBVIYCKFOGBA-UHFFFAOYSA-N 0 1 216.284 2.493 20 0 BEADMN COc1cc([C@@H](C)N[C@@H](C)C(C)(C)OC)on1 ZINC000926894766 633818817 /nfs/dbraw/zinc/81/88/17/633818817.db2.gz QFVAIAYQVHPFEF-BDAKNGLRSA-N 0 1 242.319 2.147 20 0 BEADMN CC[S@@](=O)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000309894052 633911258 /nfs/dbraw/zinc/91/12/58/633911258.db2.gz FBHRZRDGFLTTCH-MGPLVRAMSA-N 0 1 243.372 2.316 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000309632609 633978684 /nfs/dbraw/zinc/97/86/84/633978684.db2.gz LAPFHTYQYANNLK-GHMZBOCLSA-N 0 1 221.304 2.046 20 0 BEADMN Cc1cccc(F)c1CNCc1cnc[nH]1 ZINC000309688965 633988965 /nfs/dbraw/zinc/98/89/65/633988965.db2.gz ILJGYGWNXJXAGN-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ncccn1 ZINC000930665714 634003373 /nfs/dbraw/zinc/00/33/73/634003373.db2.gz PQPLQBRRFXZLFS-JHJVBQTASA-N 0 1 249.358 2.475 20 0 BEADMN COc1nnc(CN[C@@H](C)C2CCCC2)s1 ZINC000930667901 634007948 /nfs/dbraw/zinc/00/79/48/634007948.db2.gz TYEWKESBOSLHHK-QMMMGPOBSA-N 0 1 241.360 2.215 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NCCCF ZINC000925559460 634037231 /nfs/dbraw/zinc/03/72/31/634037231.db2.gz YENURXSHMVWVGV-SECBINFHSA-N 0 1 212.268 2.310 20 0 BEADMN CC[C@@H]1CN(CCOC2CC2)C[C@@H](CC)O1 ZINC000930750130 634087451 /nfs/dbraw/zinc/08/74/51/634087451.db2.gz SLMVEBSZPVDSTJ-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN CCCC[C@@H](C)N[C@H](C)c1nnnn1C1CC1 ZINC000189121318 634166828 /nfs/dbraw/zinc/16/68/28/634166828.db2.gz PSTGCZRZNIIHPG-NXEZZACHSA-N 0 1 237.351 2.237 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)c1ccnn1C ZINC000192246075 634228945 /nfs/dbraw/zinc/22/89/45/634228945.db2.gz AVOZQGMGZDIOHN-WDEREUQCSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@@H](O)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000192718033 634247288 /nfs/dbraw/zinc/24/72/88/634247288.db2.gz QLXSHLKCRXFFFR-GUIRCDHDSA-N 0 1 249.354 2.218 20 0 BEADMN CO[C@@H]1CCC[C@H]1CN[C@H](C)c1ncco1 ZINC000925691381 634316500 /nfs/dbraw/zinc/31/65/00/634316500.db2.gz MBXWWXFDQSXJLW-OUAUKWLOSA-N 0 1 224.304 2.140 20 0 BEADMN C#C[C@@H](C)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000162780602 634358186 /nfs/dbraw/zinc/35/81/86/634358186.db2.gz WUUIXROGVKSNEC-CHWSQXEVSA-N 0 1 237.343 2.062 20 0 BEADMN CCOC(=O)[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000261257830 635388342 /nfs/dbraw/zinc/38/83/42/635388342.db2.gz GVXFXAKTKFYDTP-GFCCVEGCSA-N 0 1 247.338 2.318 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000234001097 635547881 /nfs/dbraw/zinc/54/78/81/635547881.db2.gz UAFNNHSSSVJIGF-JTQLQIEISA-N 0 1 236.315 2.258 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C)cc2OC)no1 ZINC000234433090 635553158 /nfs/dbraw/zinc/55/31/58/635553158.db2.gz FHWWFVNGIOWAPI-SECBINFHSA-N 0 1 247.298 2.334 20 0 BEADMN Cc1ccc(C[NH2+]Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000235884428 635591261 /nfs/dbraw/zinc/59/12/61/635591261.db2.gz DEOCOENOPQPBLD-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN Cc1ncoc1CNCCNc1ccccc1 ZINC000894316884 635846073 /nfs/dbraw/zinc/84/60/73/635846073.db2.gz JCOJNGGWVYITOE-UHFFFAOYSA-N 0 1 231.299 2.185 20 0 BEADMN CSCC[C@H](C)N[C@H](C)c1ncco1 ZINC000925096742 636003834 /nfs/dbraw/zinc/00/38/34/636003834.db2.gz PFPCRVJOYQIXNC-DTWKUNHWSA-N 0 1 214.334 2.467 20 0 BEADMN COCC1CN(Cc2ccc(F)c(C)c2)C1 ZINC000895970056 636185366 /nfs/dbraw/zinc/18/53/66/636185366.db2.gz AUAMTAFWGVQEOU-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN COC[C@H](N[C@@H](C)c1cc(OC)no1)C(C)C ZINC000925139978 636270318 /nfs/dbraw/zinc/27/03/18/636270318.db2.gz NTWMDGSDMFIWKJ-UWVGGRQHSA-N 0 1 242.319 2.005 20 0 BEADMN CSC(C)(C)CN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000925193154 636370552 /nfs/dbraw/zinc/37/05/52/636370552.db2.gz ZXERFDYPNZWAOT-RKDXNWHRSA-N 0 1 240.376 2.015 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC(C)(C)/C=C\Cl ZINC000928934703 636543842 /nfs/dbraw/zinc/54/38/42/636543842.db2.gz WHGCNMDAYVTMSN-DMEOUFDRSA-N 0 1 244.766 2.118 20 0 BEADMN CCC[C@H](C[N@@H+](C)Cc1cccc(=O)[nH]1)OC ZINC000897392132 636574417 /nfs/dbraw/zinc/57/44/17/636574417.db2.gz OBIUNKOJZFHGFI-GFCCVEGCSA-N 0 1 238.331 2.034 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C1CCC1 ZINC000840996252 636616847 /nfs/dbraw/zinc/61/68/47/636616847.db2.gz IOXQSEUFCSBSKF-IJLUTSLNSA-N 0 1 223.316 2.114 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000321281830 636620320 /nfs/dbraw/zinc/62/03/20/636620320.db2.gz SWEUAPAXLBWRKP-ZDUSSCGKSA-N 0 1 237.299 2.275 20 0 BEADMN CC(C)n1cc([C@@H](C)NC2CC=CC2)nn1 ZINC000925272274 636694845 /nfs/dbraw/zinc/69/48/45/636694845.db2.gz XGUBJBDUENHISM-SNVBAGLBSA-N 0 1 220.320 2.228 20 0 BEADMN CC(C)=CCCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897547463 636807537 /nfs/dbraw/zinc/80/75/37/636807537.db2.gz VXGVNKAQPHZTJJ-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN CC(C)C1(NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000897864710 636840389 /nfs/dbraw/zinc/84/03/89/636840389.db2.gz SMWHLIFPJZQGTD-NSHDSACASA-N 0 1 238.375 2.164 20 0 BEADMN C[C@@H](NC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C1CC1 ZINC000897888534 636844954 /nfs/dbraw/zinc/84/49/54/636844954.db2.gz CRIXTUFXQPKITQ-DTWKUNHWSA-N 0 1 247.342 2.063 20 0 BEADMN CC/C=C/CN[C@@H]1CCCn2ccnc21 ZINC000655773103 636872990 /nfs/dbraw/zinc/87/29/90/636872990.db2.gz QCCLVJANVVMGNH-PGLGOXFNSA-N 0 1 205.305 2.274 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2cccs2)n1 ZINC000041052638 636958055 /nfs/dbraw/zinc/95/80/55/636958055.db2.gz ACFIXPDZPMTCLR-MRVPVSSYSA-N 0 1 223.301 2.454 20 0 BEADMN Cc1ccc(CCN[C@@H]2C[C@H](C)n3ncnc32)o1 ZINC000924653546 636978641 /nfs/dbraw/zinc/97/86/41/636978641.db2.gz ABEQGQZHBBMONA-JOYOIKCWSA-N 0 1 246.314 2.018 20 0 BEADMN C[C@@H](NC[C@]1(C)CCCCO1)c1nccn1C ZINC000927018224 636991184 /nfs/dbraw/zinc/99/11/84/636991184.db2.gz LDRGIDONRFUATK-YPMHNXCESA-N 0 1 237.347 2.030 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@]2(C)CCCCO2)c2nccn21 ZINC000927023141 636994858 /nfs/dbraw/zinc/99/48/58/636994858.db2.gz UMAHIAIZDJKXMP-BZPMIXESSA-N 0 1 249.358 2.438 20 0 BEADMN c1cn2c(n1)[C@H](NC1([C@H]3CCCCO3)CC1)CC2 ZINC000927159133 637068272 /nfs/dbraw/zinc/06/82/72/637068272.db2.gz LNVLTYFIOXEWCQ-VXGBXAGGSA-N 0 1 247.342 2.019 20 0 BEADMN C1CCC(c2noc(C34CCC(CC3)N4)n2)C1 ZINC000899997739 637166149 /nfs/dbraw/zinc/16/61/49/637166149.db2.gz FQULQSFEUZONMM-UHFFFAOYSA-N 0 1 233.315 2.468 20 0 BEADMN CN(Cc1ccoc1)C[C@H](O)c1ccccc1 ZINC000042371575 637194090 /nfs/dbraw/zinc/19/40/90/637194090.db2.gz NGBAHXBKROZXKA-AWEZNQCLSA-N 0 1 231.295 2.445 20 0 BEADMN CN(C(=O)Cc1c[nH]cn1)C1CCC(C)(C)CC1 ZINC000901009106 637219159 /nfs/dbraw/zinc/21/91/59/637219159.db2.gz NNKPAEJYAKNEPW-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN CCC(C)(C)Nc1nnc(Cc2cc(C)n[nH]2)o1 ZINC000901406752 637248356 /nfs/dbraw/zinc/24/83/56/637248356.db2.gz FNNJHQANQNYNQE-UHFFFAOYSA-N 0 1 249.318 2.292 20 0 BEADMN CC[N@@H+](C/C=C/c1ccccc1OC)CC(=O)[O-] ZINC000901427284 637251084 /nfs/dbraw/zinc/25/10/84/637251084.db2.gz XOLFOUOUJNOODS-SOFGYWHQSA-N 0 1 249.310 2.115 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)Cc1ccccc1 ZINC000901426871 637251248 /nfs/dbraw/zinc/25/12/48/637251248.db2.gz QNNOMZIAAMJRHH-LBPRGKRZSA-N 0 1 235.327 2.272 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2cnccc2c1 ZINC000901426995 637251658 /nfs/dbraw/zinc/25/16/58/637251658.db2.gz XDLGBUMOLUBJMI-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN CCC(F)(F)CN[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903069800 637340951 /nfs/dbraw/zinc/34/09/51/637340951.db2.gz JRFULCHDPYCRDS-KKJSVHSVSA-N 0 1 245.313 2.435 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+](C)C[C@@H](C)CC ZINC000903599038 637373555 /nfs/dbraw/zinc/37/35/55/637373555.db2.gz ZEFHYTKDFJNWCV-AXFHLTTASA-N 0 1 215.337 2.464 20 0 BEADMN COc1cc(C)c(-c2cnc(CN)nc2)c(C)c1 ZINC000904874672 637516749 /nfs/dbraw/zinc/51/67/49/637516749.db2.gz XCLMPAKYQSNTKC-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN Cc1cccc([C@@H](C)[S@](=O)Cc2c[nH]nn2)c1 ZINC000905190237 637668709 /nfs/dbraw/zinc/66/87/09/637668709.db2.gz PXETVANHLPBXFQ-BMLIUANNSA-N 0 1 249.339 2.123 20 0 BEADMN CC[C@H](c1ccccc1)[S@](=O)Cc1c[nH]nn1 ZINC000905165595 637677587 /nfs/dbraw/zinc/67/75/87/637677587.db2.gz JGRIWZUGOUZBSB-SJKOYZFVSA-N 0 1 249.339 2.205 20 0 BEADMN Cc1cn[nH]c1CS(=O)(=O)CCCC(C)C ZINC000905250639 637710936 /nfs/dbraw/zinc/71/09/36/637710936.db2.gz XNXMVTHADOVASP-UHFFFAOYSA-N 0 1 244.360 2.069 20 0 BEADMN O[C@@H](CNC/C=C\Cl)c1c(F)cccc1F ZINC000905709035 637892468 /nfs/dbraw/zinc/89/24/68/637892468.db2.gz VHIUSTPTYMSCAY-ODTOEKCJSA-N 0 1 247.672 2.340 20 0 BEADMN O=[S@](CCN1CCCCCC1)C(F)(F)F ZINC000905868388 637954755 /nfs/dbraw/zinc/95/47/55/637954755.db2.gz PFSFYXIIORMDDZ-OAHLLOKOSA-N 0 1 243.294 2.131 20 0 BEADMN CC[C@@](O)(CN1CC(C)(C)C1)C(F)(F)F ZINC000905952006 637998791 /nfs/dbraw/zinc/99/87/91/637998791.db2.gz CYEZEWRJGALSJU-SECBINFHSA-N 0 1 225.254 2.032 20 0 BEADMN CNCc1ncc(-c2ccc3c(c2)CCC3)cn1 ZINC000906153841 638063605 /nfs/dbraw/zinc/06/36/05/638063605.db2.gz WAWUFJYQGITOCP-UHFFFAOYSA-N 0 1 239.322 2.352 20 0 BEADMN c1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccn1 ZINC000906155312 638064267 /nfs/dbraw/zinc/06/42/67/638064267.db2.gz FNJWQRXOKYQPCC-ZDUSSCGKSA-N 0 1 240.310 2.353 20 0 BEADMN CC(C)(CNc1cc[nH+]cc1Cl)CC(=O)[O-] ZINC000906149172 638075005 /nfs/dbraw/zinc/07/50/05/638075005.db2.gz PLGKVLHGBJVFTO-UHFFFAOYSA-N 0 1 242.706 2.070 20 0 BEADMN Cc1[nH]nc2ccc(/C=C\N3CCCC3=O)cc12 ZINC000906204414 638105447 /nfs/dbraw/zinc/10/54/47/638105447.db2.gz KGBMNJAYQLTBEF-VURMDHGXSA-N 0 1 241.294 2.464 20 0 BEADMN CCC[C@H](C)N(C)Cc1cn(C2CC2)nn1 ZINC000906254394 638118994 /nfs/dbraw/zinc/11/89/94/638118994.db2.gz IOOQTTIRGRSGBQ-JTQLQIEISA-N 0 1 222.336 2.233 20 0 BEADMN CCCN(Cc1cn(C2CC2)nn1)CC1CC1 ZINC000906254473 638119609 /nfs/dbraw/zinc/11/96/09/638119609.db2.gz PIZLNDORRXIJKG-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906272514 638124067 /nfs/dbraw/zinc/12/40/67/638124067.db2.gz MRRRZGAPNFFVIJ-WDEREUQCSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2cn(C3CC3)nn2)C[C@H]1C ZINC000906320735 638143406 /nfs/dbraw/zinc/14/34/06/638143406.db2.gz MXGILQKWRRXSNP-GMTAPVOTSA-N 0 1 234.347 2.089 20 0 BEADMN C/C(Cl)=C/C(=O)Nc1cc(N(C)C)ccn1 ZINC000907322582 638354622 /nfs/dbraw/zinc/35/46/22/638354622.db2.gz ABXYUGWZRHLXOD-VURMDHGXSA-N 0 1 239.706 2.229 20 0 BEADMN CC[C@@H](NC(=O)C=C(C)Cl)c1ncc[nH]1 ZINC000907436717 638382826 /nfs/dbraw/zinc/38/28/26/638382826.db2.gz WRKCVFQYMZBGPT-HYDMIIDASA-N 0 1 227.695 2.120 20 0 BEADMN Cc1cc(CN2CCO[C@H](C)CC2)ccn1 ZINC000932334233 711453909 /nfs/dbraw/zinc/45/39/09/711453909.db2.gz FGBZHGMVKRTMSO-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)(C)C=CC(=O)Nc1cccc2[nH]nnc21 ZINC000908699654 639051821 /nfs/dbraw/zinc/05/18/21/639051821.db2.gz GFUOYSOHXOGQEO-FPLPWBNLSA-N 0 1 244.298 2.499 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCCCCCCC1 ZINC000909201512 639170511 /nfs/dbraw/zinc/17/05/11/639170511.db2.gz DRDHASHTTXASTM-UHFFFAOYSA-N 0 1 235.331 2.135 20 0 BEADMN CCC[C@H](NC(=O)c1[nH]ncc1F)C1CCC1 ZINC000909931205 639282177 /nfs/dbraw/zinc/28/21/77/639282177.db2.gz ZBOQUBODDNNACI-JTQLQIEISA-N 0 1 239.294 2.247 20 0 BEADMN CCN(C)[C@@H](C(=O)N1CC=CC1)c1ccccc1 ZINC000910007975 639321647 /nfs/dbraw/zinc/32/16/47/639321647.db2.gz VBUSCZBEHVUWHV-CQSZACIVSA-N 0 1 244.338 2.078 20 0 BEADMN Cc1cccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)[nH+]1 ZINC000910386159 639435018 /nfs/dbraw/zinc/43/50/18/639435018.db2.gz NZLSRNLSRBXLOG-FIQHERPVSA-N 0 1 246.310 2.301 20 0 BEADMN CCC[C@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000910466297 639459903 /nfs/dbraw/zinc/45/99/03/639459903.db2.gz SJTMACFTTXOWGV-SECBINFHSA-N 0 1 247.298 2.476 20 0 BEADMN Cc1cccc(N[C@H](C)CCC(=O)[O-])[nH+]1 ZINC000910437760 639460384 /nfs/dbraw/zinc/46/03/84/639460384.db2.gz UKRGCWDCMYWTHH-SECBINFHSA-N 0 1 208.261 2.055 20 0 BEADMN COC/C(C)=C\CN(C)Cc1cnccc1C ZINC000930293062 639683390 /nfs/dbraw/zinc/68/33/90/639683390.db2.gz YSJLKWZEBAGFPG-SDQBBNPISA-N 0 1 234.343 2.415 20 0 BEADMN CC[C@@H](CO)N1CCC(C)=C(Br)C1 ZINC000930308158 639694751 /nfs/dbraw/zinc/69/47/51/639694751.db2.gz OJIHPXSEJNVISH-VIFPVBQESA-N 0 1 248.164 2.132 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cc(C)nnc2C)[C@@H](C)C1 ZINC000930322923 639706942 /nfs/dbraw/zinc/70/69/42/639706942.db2.gz LPBDJULUZQUUMA-FZMZJTMJSA-N 0 1 249.358 2.093 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1c(F)cncc1F ZINC000930455216 639756524 /nfs/dbraw/zinc/75/65/24/639756524.db2.gz IKQZEFJTSLMJHC-WRWORJQWSA-N 0 1 244.310 2.201 20 0 BEADMN CCc1onc(C)c1CN(C)C[C@@H](C)OC ZINC000930476704 639772077 /nfs/dbraw/zinc/77/20/77/639772077.db2.gz SWZYBSIWRVSOAF-SECBINFHSA-N 0 1 226.320 2.012 20 0 BEADMN CCC1(NCc2nnc(OC)s2)CCCC1 ZINC000930608958 639818958 /nfs/dbraw/zinc/81/89/58/639818958.db2.gz ZNKFPRYNVTUAEC-UHFFFAOYSA-N 0 1 241.360 2.359 20 0 BEADMN COC/C(C)=C/CN(C)Cc1ccccn1 ZINC000930614699 639823753 /nfs/dbraw/zinc/82/37/53/639823753.db2.gz FQMWTXAGGCQMDP-KPKJPENVSA-N 0 1 220.316 2.106 20 0 BEADMN C[C@H]1CN(C(=O)C(C)(C)CC(C)(C)C)CCN1 ZINC000911808528 639829040 /nfs/dbraw/zinc/82/90/40/639829040.db2.gz CQVIXMQGBAFRHW-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](N[C@@H]1CCC1(C)C)c1ncccn1 ZINC000930632167 639833760 /nfs/dbraw/zinc/83/37/60/639833760.db2.gz XOOUXGJCFOLDCL-NXEZZACHSA-N 0 1 205.305 2.316 20 0 BEADMN COC[C@H]1CCCN([C@H](C)c2ncccn2)CC1 ZINC000930674709 639859297 /nfs/dbraw/zinc/85/92/97/639859297.db2.gz FSWHCXSUHYNMID-OLZOCXBDSA-N 0 1 249.358 2.286 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H](C)c2ncccn2)C12CCC2 ZINC000930699792 639865546 /nfs/dbraw/zinc/86/55/46/639865546.db2.gz MAXLLDVZUPUSSQ-SDDRHHMPSA-N 0 1 247.342 2.085 20 0 BEADMN CCCN(CC)c1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133889614 711475021 /nfs/dbraw/zinc/47/50/21/711475021.db2.gz ZFXMFRASBOCSOW-UHFFFAOYSA-N 0 1 222.288 2.325 20 0 BEADMN CCCCCNC(=O)c1ccc2n1CCN[C@@H]2C ZINC000911894726 639871873 /nfs/dbraw/zinc/87/18/73/639871873.db2.gz DXJQTGQERPNJRC-LLVKDONJSA-N 0 1 249.358 2.072 20 0 BEADMN COC/C(C)=C/CN1CCO[C@@H](C2CCC2)C1 ZINC000930712491 639875915 /nfs/dbraw/zinc/87/59/15/639875915.db2.gz NUHOIWOEHWZWHE-TZWLIRKLSA-N 0 1 239.359 2.080 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)C[C@@H](CC)O1 ZINC000930747270 639894740 /nfs/dbraw/zinc/89/47/40/639894740.db2.gz JEYKLZWGHMFQED-XCEACWERSA-N 0 1 241.375 2.469 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@@H](CCO)CC1 ZINC000930753875 639898690 /nfs/dbraw/zinc/89/86/90/639898690.db2.gz JTWXMLGFFGIPOU-CHWSQXEVSA-N 0 1 249.358 2.022 20 0 BEADMN C/C=C/C=C\C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000912026516 639923448 /nfs/dbraw/zinc/92/34/48/639923448.db2.gz ISZCAMDSTFHNQQ-AEZRLJEFSA-N 0 1 236.359 2.060 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C=C2CCC2)C[C@@H]1C ZINC000912023598 639929722 /nfs/dbraw/zinc/92/97/22/639929722.db2.gz FFORXNFUUXEPOI-TXEJJXNPSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)[C@@H](C)CO1 ZINC000930851306 639946556 /nfs/dbraw/zinc/94/65/56/639946556.db2.gz AYKBJWRJXVIMLG-OAIDTJHVSA-N 0 1 227.348 2.078 20 0 BEADMN CCc1ncc(CN2CC[C@@]3(CC3(F)F)C2)o1 ZINC000930868998 639963219 /nfs/dbraw/zinc/96/32/19/639963219.db2.gz ZMDNZGHGZHJWSM-LLVKDONJSA-N 0 1 242.269 2.468 20 0 BEADMN CN(CCCC(C)(F)F)Cc1c[nH]cn1 ZINC000930917691 639987650 /nfs/dbraw/zinc/98/76/50/639987650.db2.gz YXEIDRTWGJMYNT-UHFFFAOYSA-N 0 1 217.263 2.277 20 0 BEADMN Cc1cc(C)nc(CN(C)CC2=CCCOC2)c1 ZINC000930998021 640017396 /nfs/dbraw/zinc/01/73/96/640017396.db2.gz NJFZGFGHVRHEOD-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN FCCCCCN1CCC[C@H]1c1nnc[nH]1 ZINC000931140555 640076032 /nfs/dbraw/zinc/07/60/32/640076032.db2.gz OPZRQIUMCKDGOJ-JTQLQIEISA-N 0 1 226.299 2.081 20 0 BEADMN Clc1ccc(CN(C2CC2)C2CC2)nn1 ZINC000931179023 640090720 /nfs/dbraw/zinc/09/07/20/640090720.db2.gz OKKRQFKZMKVGTJ-UHFFFAOYSA-N 0 1 223.707 2.257 20 0 BEADMN C[C@@H](C1CC1)N1Cc2ccccc2N(C)C(=O)C1 ZINC000931178524 640092441 /nfs/dbraw/zinc/09/24/41/640092441.db2.gz UTEMCIUVBBHFQN-NSHDSACASA-N 0 1 244.338 2.264 20 0 BEADMN COC/C(C)=C\CN1CCc2c(O)cccc2C1 ZINC000931262214 640121122 /nfs/dbraw/zinc/12/11/22/640121122.db2.gz OJIKHEONUOKHMT-SDQBBNPISA-N 0 1 247.338 2.343 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000931427238 640195121 /nfs/dbraw/zinc/19/51/21/640195121.db2.gz OXOOCGATUUHRPT-SSDOTTSWSA-N 0 1 241.237 2.152 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000931427242 640195162 /nfs/dbraw/zinc/19/51/62/640195162.db2.gz OXOOCGATUUHRPT-ZETCQYMHSA-N 0 1 241.237 2.152 20 0 BEADMN CCCCOCCN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931455164 640214055 /nfs/dbraw/zinc/21/40/55/640214055.db2.gz HYFRUHVQWLAYOC-LLVKDONJSA-N 0 1 237.347 2.146 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912907485 640233293 /nfs/dbraw/zinc/23/32/93/640233293.db2.gz HQZVPNNJPLTWCG-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912911712 640237762 /nfs/dbraw/zinc/23/77/62/640237762.db2.gz NKKRVNLPGZUPJK-YLSINNKHSA-N 0 1 236.359 2.039 20 0 BEADMN Nc1ccnc2c1CN(Cc1ccsc1)CC2 ZINC000931515541 640246818 /nfs/dbraw/zinc/24/68/18/640246818.db2.gz GLXLTLXPWRQBJN-UHFFFAOYSA-N 0 1 245.351 2.284 20 0 BEADMN C[C@H]1CC=C(C(=O)N2CC[C@@H](N3CCC3)C2)CC1 ZINC000912902243 640247570 /nfs/dbraw/zinc/24/75/70/640247570.db2.gz CIQCEHVLTCMOHR-GXTWGEPZSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1ccnn1C ZINC000931559452 640272294 /nfs/dbraw/zinc/27/22/94/640272294.db2.gz FZGLRRXQWLIJBM-UWVGGRQHSA-N 0 1 248.305 2.366 20 0 BEADMN CC[C@@H](CO)N[C@@H](CF)c1ccc(F)cc1 ZINC000931559225 640273204 /nfs/dbraw/zinc/27/32/04/640273204.db2.gz WSXWZMIFNHAWHX-RYUDHWBXSA-N 0 1 229.270 2.197 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N1CCC(F)CC1 ZINC000931686948 640315567 /nfs/dbraw/zinc/31/55/67/640315567.db2.gz RMRPTEUVEOIQBG-MWLCHTKSSA-N 0 1 231.311 2.008 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@@H](CF)C1 ZINC000931687182 640316498 /nfs/dbraw/zinc/31/64/98/640316498.db2.gz SYOZTWKTCUXZSL-IUCAKERBSA-N 0 1 229.324 2.199 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CCC(F)CC1 ZINC000931686949 640316543 /nfs/dbraw/zinc/31/65/43/640316543.db2.gz RMRPTEUVEOIQBG-ONGXEEELSA-N 0 1 231.311 2.008 20 0 BEADMN CC[C@@H]1C[C@H]1CNC1(c2ncccn2)CCC1 ZINC000931691313 640317592 /nfs/dbraw/zinc/31/75/92/640317592.db2.gz BSFHSVRAJNRGBF-NEPJUHHUSA-N 0 1 231.343 2.492 20 0 BEADMN CC[C@@H](CO)NCc1nc(Cl)ccc1Cl ZINC000931774848 640365810 /nfs/dbraw/zinc/36/58/10/640365810.db2.gz OBNWACSETGIKQI-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN CC[C@@H](CO)N[C@@H](C)c1nc2ccccc2o1 ZINC000931774024 640366660 /nfs/dbraw/zinc/36/66/60/640366660.db2.gz HVHJFVADTRVWGS-UWVGGRQHSA-N 0 1 234.299 2.249 20 0 BEADMN Cc1nnc(NC(=O)[C@@H](C)c2ccccc2C)[nH]1 ZINC000931906605 640386832 /nfs/dbraw/zinc/38/68/32/640386832.db2.gz VWJCZZKPPASZAN-VIFPVBQESA-N 0 1 244.298 2.164 20 0 BEADMN Cc1ccc(CNCc2c[nH]cn2)cc1 ZINC000054763353 640403407 /nfs/dbraw/zinc/40/34/07/640403407.db2.gz ZNGKGOXUFNDKNC-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN CSCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932081445 640421671 /nfs/dbraw/zinc/42/16/71/640421671.db2.gz SCWMTGGIHIVSKV-ZETCQYMHSA-N 0 1 245.335 2.329 20 0 BEADMN C[C@H]1OCCN(CCc2cccs2)[C@@H]1C ZINC000156449216 640451556 /nfs/dbraw/zinc/45/15/56/640451556.db2.gz DXHGARZJVRJDCH-GHMZBOCLSA-N 0 1 225.357 2.400 20 0 BEADMN Cn1nccc1[C@H]1CCCN1CCOC1CCC1 ZINC000932264050 640461890 /nfs/dbraw/zinc/46/18/90/640461890.db2.gz HJMZJLVRMOSVIU-CQSZACIVSA-N 0 1 249.358 2.126 20 0 BEADMN Cc1cncc(CN2CCO[C@H](C)CC2)c1 ZINC000932335148 640478007 /nfs/dbraw/zinc/47/80/07/640478007.db2.gz FHBKPSIKFKUTEU-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccnc(CN2CCO[C@@H](C)CC2)c1 ZINC000932338825 640481961 /nfs/dbraw/zinc/48/19/61/640481961.db2.gz HJNJJNLPXMVRCW-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H]1CCN(Cc2ccccc2F)CCO1 ZINC000932344782 640488113 /nfs/dbraw/zinc/48/81/13/640488113.db2.gz LZCOXHMRZBQAFH-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(F)c2)CCO1 ZINC000932347734 640491289 /nfs/dbraw/zinc/49/12/89/640491289.db2.gz GNUJVUQPPZHSFY-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN c1cnc([C@H](NCC[C@H]2CCCO2)C2CC2)nc1 ZINC000932351911 640493983 /nfs/dbraw/zinc/49/39/83/640493983.db2.gz CCNWKAIBTWEJBP-CHWSQXEVSA-N 0 1 247.342 2.086 20 0 BEADMN c1cnc([C@@H](NCC[C@H]2CCCO2)C2CC2)nc1 ZINC000932351912 640494528 /nfs/dbraw/zinc/49/45/28/640494528.db2.gz CCNWKAIBTWEJBP-OLZOCXBDSA-N 0 1 247.342 2.086 20 0 BEADMN COC(C)(C)CCN[C@H](c1ncccn1)C1CC1 ZINC000932355672 640496124 /nfs/dbraw/zinc/49/61/24/640496124.db2.gz WZQBGDJTXQGDJU-LBPRGKRZSA-N 0 1 249.358 2.332 20 0 BEADMN Cc1ccc(F)c(CN[C@H]2COC[C@H]2C)c1F ZINC000932486498 640552839 /nfs/dbraw/zinc/55/28/39/640552839.db2.gz ACWOMXPMXQASGU-SKDRFNHKSA-N 0 1 241.281 2.398 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000932500014 640560243 /nfs/dbraw/zinc/56/02/43/640560243.db2.gz WNSLADDXYWUBAU-ONGXEEELSA-N 0 1 248.282 2.059 20 0 BEADMN CC(C)CN1CC(NC(=O)CC2CCCC2)C1 ZINC001030062915 640564552 /nfs/dbraw/zinc/56/45/52/640564552.db2.gz QZDUVHCZDBNLJZ-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN O[C@H](CN1CCn2cccc2C1)c1ccccc1 ZINC000932526767 640567948 /nfs/dbraw/zinc/56/79/48/640567948.db2.gz XNZOWNSMMPUSGB-OAHLLOKOSA-N 0 1 242.322 2.037 20 0 BEADMN C[C@H](C1CC1)N1CCn2nc(C3CC3)cc2C1 ZINC000932603187 640583578 /nfs/dbraw/zinc/58/35/78/640583578.db2.gz RROXEJMSHDFAMP-SNVBAGLBSA-N 0 1 231.343 2.375 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000932630088 640590793 /nfs/dbraw/zinc/59/07/93/640590793.db2.gz CKCQRQCWXXRPEP-LLVKDONJSA-N 0 1 247.342 2.335 20 0 BEADMN CC[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000166764708 640671431 /nfs/dbraw/zinc/67/14/31/640671431.db2.gz WLOPYMSJYWRAGR-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCC1CCC1 ZINC000933167500 640672864 /nfs/dbraw/zinc/67/28/64/640672864.db2.gz QZFOHNVYODWTAG-OCCSQVGLSA-N 0 1 237.343 2.204 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCc2c(ncn2CC)C1 ZINC000933257201 640691825 /nfs/dbraw/zinc/69/18/25/640691825.db2.gz UAWGEEYFVFFGCS-NEPJUHHUSA-N 0 1 233.359 2.307 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2CC2(C)C)n1 ZINC000225434592 640693169 /nfs/dbraw/zinc/69/31/69/640693169.db2.gz ARGMCCBKBNGJNJ-JGVFFNPUSA-N 0 1 209.293 2.239 20 0 BEADMN FCCNC1(c2ccc3c(c2)OCCO3)CC1 ZINC000933999397 640802227 /nfs/dbraw/zinc/80/22/27/640802227.db2.gz MYXQQJPVNJTJFO-UHFFFAOYSA-N 0 1 237.274 2.006 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C(=O)[O-])C1 ZINC000229302080 640945364 /nfs/dbraw/zinc/94/53/64/640945364.db2.gz YQBFQECGURHJNB-GXFFZTMASA-N 0 1 249.310 2.077 20 0 BEADMN Cn1c(Cl)cnc1CNC[C@H]1CCCS1 ZINC000087669178 640966645 /nfs/dbraw/zinc/96/66/45/640966645.db2.gz GGUVLOAOEJMJPP-MRVPVSSYSA-N 0 1 245.779 2.059 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000229552103 640966825 /nfs/dbraw/zinc/96/68/25/640966825.db2.gz ATRNBFVUSRENBV-ZDUSSCGKSA-N 0 1 237.299 2.275 20 0 BEADMN CN(CC(=O)OC(C)(C)C)C[Si](C)(C)C ZINC000171736312 641010277 /nfs/dbraw/zinc/01/02/77/641010277.db2.gz YRRGYFYRRLGCMK-UHFFFAOYSA-N 0 1 231.412 2.137 20 0 BEADMN CCc1csc(NCc2cn[nH]c2C)n1 ZINC000061894484 641006949 /nfs/dbraw/zinc/00/69/49/641006949.db2.gz CWNPYKZQUFTBFK-UHFFFAOYSA-N 0 1 222.317 2.349 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cncc(Cl)c1 ZINC000934107690 641070867 /nfs/dbraw/zinc/07/08/67/641070867.db2.gz XTOBVOFTDGTYHS-NEPJUHHUSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1nc2ccccc2o1 ZINC000934124248 641085338 /nfs/dbraw/zinc/08/53/38/641085338.db2.gz BETBWQROCBUSSX-DGCLKSJQSA-N 0 1 246.310 2.437 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1nc2ccccc2o1 ZINC000934124249 641086769 /nfs/dbraw/zinc/08/67/69/641086769.db2.gz BETBWQROCBUSSX-WCQYABFASA-N 0 1 246.310 2.437 20 0 BEADMN CCCCC1(NCc2nncs2)CC1 ZINC000934200159 641099469 /nfs/dbraw/zinc/09/94/69/641099469.db2.gz FZJDAVSHUBJQCS-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC(C)C)C1CC1 ZINC000172746710 641105613 /nfs/dbraw/zinc/10/56/13/641105613.db2.gz UOWKGKBHCCTDJJ-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CCc1cnc(CN[C@H](C)Cc2cccnc2)o1 ZINC000934232045 641110068 /nfs/dbraw/zinc/11/00/68/641110068.db2.gz BYHSNMDTXSZOOK-LLVKDONJSA-N 0 1 245.326 2.353 20 0 BEADMN C[C@H](Cc1cccnc1)NCc1cscn1 ZINC000934241671 641113340 /nfs/dbraw/zinc/11/33/40/641113340.db2.gz UIIXJFGOCKRLNC-SNVBAGLBSA-N 0 1 233.340 2.259 20 0 BEADMN C[C@H]1CSCCCN1Cc1ccns1 ZINC000934296495 641118136 /nfs/dbraw/zinc/11/81/36/641118136.db2.gz IRBMJNMCIXEJAR-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN COc1cc(CN2CCCSC[C@H]2C)on1 ZINC000934298064 641120482 /nfs/dbraw/zinc/12/04/82/641120482.db2.gz TWQDBGKQHUPMPD-SECBINFHSA-N 0 1 242.344 2.011 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960112 641136367 /nfs/dbraw/zinc/13/63/67/641136367.db2.gz LVYZERXWVXGGMC-SDDRHHMPSA-N 0 1 239.359 2.306 20 0 BEADMN Cc1nc(CN[C@H]2CCOC23CCCC3)[nH]c1C ZINC000934382569 641137570 /nfs/dbraw/zinc/13/75/70/641137570.db2.gz GKHJCEJPDPUIDB-LBPRGKRZSA-N 0 1 249.358 2.218 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cnc(Cl)cn2)C1 ZINC000231284731 641153022 /nfs/dbraw/zinc/15/30/22/641153022.db2.gz OXZVDTNLUJYLFS-RKDXNWHRSA-N 0 1 225.723 2.360 20 0 BEADMN Cc1[nH+]c(N[C@@H]2CCSC2)ccc1C(=O)[O-] ZINC000231356236 641166497 /nfs/dbraw/zinc/16/64/97/641166497.db2.gz WTPROFYSACYWFU-MRVPVSSYSA-N 0 1 238.312 2.006 20 0 BEADMN O=C1SCCN1CN1CCC2(CCCC2)C1 ZINC000173442426 641178686 /nfs/dbraw/zinc/17/86/86/641178686.db2.gz MEFWBSFXLTWJOE-UHFFFAOYSA-N 0 1 240.372 2.379 20 0 BEADMN Cc1ccccc1[C@H](C)N1CC[C@H](O)[C@@H](F)C1 ZINC000934573449 641205768 /nfs/dbraw/zinc/20/57/68/641205768.db2.gz BWZMLIOGKPNROU-UBHSHLNASA-N 0 1 237.318 2.461 20 0 BEADMN O[C@@H]1CCN([C@H]2C=CCCCCC2)C[C@@H]1F ZINC000934575284 641206599 /nfs/dbraw/zinc/20/65/99/641206599.db2.gz WDHMLDTZDXWEON-RWMBFGLXSA-N 0 1 227.323 2.280 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H]2CC=CC[C@H]2C)n1 ZINC000934626455 641221865 /nfs/dbraw/zinc/22/18/65/641221865.db2.gz VXOGQNIJPUQTRA-FXPVBKGRSA-N 0 1 221.304 2.383 20 0 BEADMN CCCN(C)CN1C[C@H](CC(C)C)CC1=O ZINC000174074502 641238631 /nfs/dbraw/zinc/23/86/31/641238631.db2.gz LPZLHXSJEAXTSS-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN CCN(CN1C[C@@H](CC(C)C)CC1=O)C1CC1 ZINC000174071349 641242692 /nfs/dbraw/zinc/24/26/92/641242692.db2.gz SRYIWLQBLTWLQU-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN Cn1ncc(CNC2(C3CCCCC3)CC2)n1 ZINC000934789604 641270680 /nfs/dbraw/zinc/27/06/80/641270680.db2.gz JMUPAKLSUIPEHX-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN CCc1ccc2c(c1)CCN2Cc1n[nH]c(C)n1 ZINC000934901001 641297008 /nfs/dbraw/zinc/29/70/08/641297008.db2.gz NQXNPTYPQHXNMK-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN CN(CCC1CC1)C(=O)c1cccc(F)c1O ZINC000935011368 641317383 /nfs/dbraw/zinc/31/73/83/641317383.db2.gz PSECHNJGAIVSGV-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)C2(C)CCC2)C1 ZINC001030796876 641357163 /nfs/dbraw/zinc/35/71/63/641357163.db2.gz JCEICCRDBVXROZ-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000232710146 641377890 /nfs/dbraw/zinc/37/78/90/641377890.db2.gz NBTWINPRRFCADB-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@]1(C(=O)NOCCC(F)(F)F)C=CCC1 ZINC000935501255 641421259 /nfs/dbraw/zinc/42/12/59/641421259.db2.gz GBNJVLUUYQXOHI-SECBINFHSA-N 0 1 237.221 2.343 20 0 BEADMN CCC[C@@H](C(=O)NC12CCN(CC1)C2)C(C)C ZINC000913632060 641429609 /nfs/dbraw/zinc/42/96/09/641429609.db2.gz OGMNLHHXCVHIPJ-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(CCCCc1ccccc1)Nc1c[nH]nn1 ZINC000935593974 641434770 /nfs/dbraw/zinc/43/47/70/641434770.db2.gz ASHJJLCVWHKPFP-UHFFFAOYSA-N 0 1 244.298 2.156 20 0 BEADMN Cc1oc(C(C)(C)C)cc1C(=O)Nc1c[nH]nn1 ZINC000935595297 641436850 /nfs/dbraw/zinc/43/68/50/641436850.db2.gz XKQQSRQUQKXEHQ-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CC1=CC[C@@](C)(C(=O)NC23CCN(CC2)C3)CC1 ZINC000913636677 641438674 /nfs/dbraw/zinc/43/86/74/641438674.db2.gz PONFUVGRIWFCMD-CQSZACIVSA-N 0 1 248.370 2.087 20 0 BEADMN O=C(Nc1c[nH]nn1)c1cccc(C2CCC2)c1 ZINC000935597649 641442653 /nfs/dbraw/zinc/44/26/53/641442653.db2.gz MAWHHTKJLZSIHP-UHFFFAOYSA-N 0 1 242.282 2.325 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)Nc1c[nH]nn1 ZINC000935597898 641443619 /nfs/dbraw/zinc/44/36/19/641443619.db2.gz PEWMYWCPTUPIDY-VIFPVBQESA-N 0 1 224.308 2.206 20 0 BEADMN CC(C)=CCNC(=O)c1cccc(F)c1O ZINC000935610249 641446334 /nfs/dbraw/zinc/44/63/34/641446334.db2.gz ILGKEUXIELLHSP-UHFFFAOYSA-N 0 1 223.247 2.227 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1O ZINC000935791112 641483323 /nfs/dbraw/zinc/48/33/23/641483323.db2.gz KICSZDQRECPVQK-GMSGAONNSA-N 0 1 223.247 2.060 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC000935791640 641483521 /nfs/dbraw/zinc/48/35/21/641483521.db2.gz SYAAJIZVAGEFKV-LHLIQPBNSA-N 0 1 241.237 2.199 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C[C@H]2CC=CCC2)n[nH]1 ZINC000935961629 641508926 /nfs/dbraw/zinc/50/89/26/641508926.db2.gz GECCHNOPRJVDFJ-KOLCDFICSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nnc(CCN2Cc3ccccc3[C@H]2C)o1 ZINC000929766942 641513750 /nfs/dbraw/zinc/51/37/50/641513750.db2.gz PGRGDTHZTGGACT-SNVBAGLBSA-N 0 1 243.310 2.497 20 0 BEADMN C[C@@H](C[N@@H+](Cc1ccsc1)C1CC1)C(=O)[O-] ZINC000042469064 641552687 /nfs/dbraw/zinc/55/26/87/641552687.db2.gz YOJRRWNCQINOPC-VIFPVBQESA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCN1C ZINC000761077549 641573586 /nfs/dbraw/zinc/57/35/86/641573586.db2.gz MNIFVTXRQFLATN-IAQYHMDHSA-N 0 1 248.345 2.449 20 0 BEADMN CCC(=CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C)CC ZINC000155766663 641580474 /nfs/dbraw/zinc/58/04/74/641580474.db2.gz WWUTUPBQYJMKPY-RYUDHWBXSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@H]2C)[nH]1 ZINC000914155687 641589073 /nfs/dbraw/zinc/58/90/73/641589073.db2.gz HPUAVJGOZHBSMV-MRVPVSSYSA-N 0 1 229.283 2.106 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H]2C)[nH]1 ZINC000914155688 641589349 /nfs/dbraw/zinc/58/93/49/641589349.db2.gz HPUAVJGOZHBSMV-QMMMGPOBSA-N 0 1 229.283 2.106 20 0 BEADMN C[C@H]1CCN1C(=O)c1sccc1CN(C)C ZINC000914156702 641590418 /nfs/dbraw/zinc/59/04/18/641590418.db2.gz FLWWMRBAKDDDOP-VIFPVBQESA-N 0 1 238.356 2.044 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000158209004 641630073 /nfs/dbraw/zinc/63/00/73/641630073.db2.gz HQEYMHXEBFOCSE-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000158347473 641631214 /nfs/dbraw/zinc/63/12/14/641631214.db2.gz YZUIBAPCQHPURX-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000723141382 711507085 /nfs/dbraw/zinc/50/70/85/711507085.db2.gz ATKUFHQERRIZPD-USZNOCQGSA-N 0 1 225.332 2.075 20 0 BEADMN CCCCOC(=O)CN(C)[C@H](C)C(C)C ZINC000047867236 641666122 /nfs/dbraw/zinc/66/61/22/641666122.db2.gz VCGXRHCZOBKRDG-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CCCCCC(C)(C)CNC(=O)CN(C)C ZINC000153057243 641694592 /nfs/dbraw/zinc/69/45/92/641694592.db2.gz PLMXJNNPLVYAOO-UHFFFAOYSA-N 0 1 228.380 2.271 20 0 BEADMN C[C@H](NC(=O)c1coc(CN)c1)C1CCCC1 ZINC000187751057 641721975 /nfs/dbraw/zinc/72/19/75/641721975.db2.gz RKNZSOMJLMHLKC-VIFPVBQESA-N 0 1 236.315 2.047 20 0 BEADMN CCC[C@@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000188288507 641750816 /nfs/dbraw/zinc/75/08/16/641750816.db2.gz IRSDUCCOFZZVIP-SNVBAGLBSA-N 0 1 239.319 2.249 20 0 BEADMN COc1cc(OC)cc(-c2cc([C@H](C)N)on2)c1 ZINC000075789052 641769876 /nfs/dbraw/zinc/76/98/76/641769876.db2.gz PNMRGARJKWSXFR-QMMMGPOBSA-N 0 1 248.282 2.379 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043954 641836940 /nfs/dbraw/zinc/83/69/40/641836940.db2.gz HCZYGNCMSGAKEO-RQJHMYQMSA-N 0 1 248.311 2.128 20 0 BEADMN O=C(CCCCc1cn[nH]n1)OC1(C2CC2)CC1 ZINC000190539999 641871684 /nfs/dbraw/zinc/87/16/84/641871684.db2.gz RCPLAZACQWRAOD-UHFFFAOYSA-N 0 1 249.314 2.003 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(C)cc1C ZINC000915913987 641886179 /nfs/dbraw/zinc/88/61/79/641886179.db2.gz VSLVQKHJLDBRBW-LLVKDONJSA-N 0 1 234.324 2.270 20 0 BEADMN Cc1cn[nH]c1CSc1nnc(C)s1 ZINC000915921562 641886473 /nfs/dbraw/zinc/88/64/73/641886473.db2.gz MENGTAHFYDANCE-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1nnc(SC[C@H]2CCCN2C)s1 ZINC000915921300 641886489 /nfs/dbraw/zinc/88/64/89/641886489.db2.gz IVIFFCNNGOUJQY-MRVPVSSYSA-N 0 1 229.374 2.033 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CC=CC2)nc(C)n1 ZINC000077940902 641891898 /nfs/dbraw/zinc/89/18/98/641891898.db2.gz WGGXTEKFGLUZOS-LBPRGKRZSA-N 0 1 241.294 2.236 20 0 BEADMN Cc1cn[nH]c1CSC(=S)N1CCCC1 ZINC000915998834 641895495 /nfs/dbraw/zinc/89/54/95/641895495.db2.gz WLHGWRRNDIADQK-UHFFFAOYSA-N 0 1 241.385 2.332 20 0 BEADMN N#C[C@H](C(=O)C1CC1)c1cnc2ccccc2n1 ZINC000190956575 641896428 /nfs/dbraw/zinc/89/64/28/641896428.db2.gz SHUNHSKYVDLORV-JTQLQIEISA-N 0 1 237.262 2.216 20 0 BEADMN CC(C(=O)N1C[C@H](C)N[C@@H](C)C1)=C1CCCC1 ZINC000153848307 641907247 /nfs/dbraw/zinc/90/72/47/641907247.db2.gz XESPJNWRUBBHSD-QWRGUYRKSA-N 0 1 236.359 2.086 20 0 BEADMN CCc1nnc(SC2CCSCC2)[nH]1 ZINC000916515123 641941153 /nfs/dbraw/zinc/94/11/53/641941153.db2.gz BSEIFEYJJVDKSX-UHFFFAOYSA-N 0 1 229.374 2.355 20 0 BEADMN CCc1n[nH]c(SC2CCSCC2)n1 ZINC000916515123 641941159 /nfs/dbraw/zinc/94/11/59/641941159.db2.gz BSEIFEYJJVDKSX-UHFFFAOYSA-N 0 1 229.374 2.355 20 0 BEADMN C[C@H](NCCC(C)(C)C)c1nnnn1C1CC1 ZINC000191834259 641946631 /nfs/dbraw/zinc/94/66/31/641946631.db2.gz AZCAAFIOMHOJJE-VIFPVBQESA-N 0 1 237.351 2.095 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@@H](C)c1cccs1 ZINC000917082850 642004063 /nfs/dbraw/zinc/00/40/63/642004063.db2.gz WIXNWHNHQLELHY-CBAPKCEASA-N 0 1 240.353 2.417 20 0 BEADMN Cc1cn[nH]c1CSc1ccc(C)nn1 ZINC000917092618 642007671 /nfs/dbraw/zinc/00/76/71/642007671.db2.gz QTDUUQZBNNBGKC-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CCCc1nnc(SCc2[nH]ncc2C)o1 ZINC000917233728 642035601 /nfs/dbraw/zinc/03/56/01/642035601.db2.gz QDNCOPOIHZQTJU-UHFFFAOYSA-N 0 1 238.316 2.346 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CC=CCC1 ZINC000925438078 642055857 /nfs/dbraw/zinc/05/58/57/642055857.db2.gz UOQBTWNRVGCZHM-WPRPVWTQSA-N 0 1 207.277 2.137 20 0 BEADMN O=C(C=C1CCCC1)N1CCN(CC2CC2)CC1 ZINC000917758644 642115705 /nfs/dbraw/zinc/11/57/05/642115705.db2.gz MRDQIBHEEBIESR-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CCc1nnc(SC[C@@H]2CCCN2C)s1 ZINC000918050163 642161468 /nfs/dbraw/zinc/16/14/68/642161468.db2.gz XLPZDQUGQNIESQ-QMMMGPOBSA-N 0 1 243.401 2.287 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@H]1CCCC2(CCC2)O1 ZINC000930014968 642180266 /nfs/dbraw/zinc/18/02/66/642180266.db2.gz VXLGUAIJUNRIRG-CYBMUJFWSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)OC(C)(C)C ZINC000918673443 642246230 /nfs/dbraw/zinc/24/62/30/642246230.db2.gz FSFUHUDQPSUSER-UHFFFAOYSA-N 0 1 225.292 2.085 20 0 BEADMN C[N@@H+](Cc1ccco1)CC1(O)CCCCC1 ZINC000065167832 642330009 /nfs/dbraw/zinc/33/00/09/642330009.db2.gz DTGFTWYKBNRADU-UHFFFAOYSA-N 0 1 223.316 2.407 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCOC[C@@H](C)C1 ZINC000930084706 642357989 /nfs/dbraw/zinc/35/79/89/642357989.db2.gz CDFZDSLACDZGTB-QWRGUYRKSA-N 0 1 238.306 2.250 20 0 BEADMN CCN(C/C=C\Cl)C[C@@H]1CCCO1 ZINC000255049846 642444953 /nfs/dbraw/zinc/44/49/53/642444953.db2.gz YILIJIVEJFHSQI-OAQKJQOQSA-N 0 1 203.713 2.240 20 0 BEADMN CCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000305076456 642637954 /nfs/dbraw/zinc/63/79/54/642637954.db2.gz OBGOUXAZJKNOFG-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000232990509 642643338 /nfs/dbraw/zinc/64/33/38/642643338.db2.gz VSFZAKAPWMFPKL-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN O[C@@H]1CC[C@H]1NCc1cscc1Cl ZINC000306367387 642741382 /nfs/dbraw/zinc/74/13/82/642741382.db2.gz CUNFRFDUDTYKGO-RKDXNWHRSA-N 0 1 217.721 2.014 20 0 BEADMN Cc1nonc1CNCC1CCCCC1 ZINC000069794773 642906177 /nfs/dbraw/zinc/90/61/77/642906177.db2.gz VJCKPQZNDQKOSG-UHFFFAOYSA-N 0 1 209.293 2.048 20 0 BEADMN CCN(CC1CC1)Cn1c2ccccc2oc1=O ZINC000069797226 642913165 /nfs/dbraw/zinc/91/31/65/642913165.db2.gz OIJZQTBTXRZDON-UHFFFAOYSA-N 0 1 246.310 2.284 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2cc(C)on2)CCO1 ZINC000069890499 642928117 /nfs/dbraw/zinc/92/81/17/642928117.db2.gz CQHLIJYELGZUQR-CMPLNLGQSA-N 0 1 224.304 2.030 20 0 BEADMN CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017429176 642971624 /nfs/dbraw/zinc/97/16/24/642971624.db2.gz CEGJCPPVUGFGKB-OKILXGFUSA-N 0 1 248.370 2.038 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541177 642976271 /nfs/dbraw/zinc/97/62/71/642976271.db2.gz SVANSEBIOPLHJZ-OKILXGFUSA-N 0 1 248.370 2.182 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H](C)CC1 ZINC000070158275 642979310 /nfs/dbraw/zinc/97/93/10/642979310.db2.gz DIDQXWVYYITNIS-GFCCVEGCSA-N 0 1 227.348 2.452 20 0 BEADMN CCCCC[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000276525153 643018272 /nfs/dbraw/zinc/01/82/72/643018272.db2.gz CNHPESAELWURLK-LLVKDONJSA-N 0 1 237.347 2.427 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1cccs1 ZINC000070618053 643052787 /nfs/dbraw/zinc/05/27/87/643052787.db2.gz NADJUSUKLIIBLS-LBPRGKRZSA-N 0 1 239.340 2.230 20 0 BEADMN CC(C)=CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071040126 643095916 /nfs/dbraw/zinc/09/59/16/643095916.db2.gz GNRDNPQFHCQGQT-UHFFFAOYSA-N 0 1 242.282 2.172 20 0 BEADMN Cc1ccncc1CN1CCO[C@H](C)CC1 ZINC000932340033 643147131 /nfs/dbraw/zinc/14/71/31/643147131.db2.gz HHUAWQOWFIIEQR-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ncsc1CN1CCO[C@@H](C)CC1 ZINC000932342064 643149947 /nfs/dbraw/zinc/14/99/47/643149947.db2.gz MFNCMKZKRFFMEI-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN CC(C)(C)NCc1cn(-c2ccccc2F)nn1 ZINC000090299422 643156575 /nfs/dbraw/zinc/15/65/75/643156575.db2.gz WECTWDAIBAHOOZ-UHFFFAOYSA-N 0 1 248.305 2.295 20 0 BEADMN CCc1cc(CNC(=O)CC(C)(C)CC)n[nH]1 ZINC000073093591 643215956 /nfs/dbraw/zinc/21/59/56/643215956.db2.gz HAPDWMSLISCIJD-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN C[C@H](CN(C)[C@H]1CCOC1=O)C1CCCCC1 ZINC000859864122 643239277 /nfs/dbraw/zinc/23/92/77/643239277.db2.gz MYWXNUYDHIXPSJ-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C(F)(F)F ZINC000082257787 643286482 /nfs/dbraw/zinc/28/64/82/643286482.db2.gz JIUJRIAIXONYEG-UHFFFAOYSA-N 0 1 229.161 2.064 20 0 BEADMN CO[C@@H](CNCc1cccnc1C)C(F)(F)F ZINC000733329352 643328308 /nfs/dbraw/zinc/32/83/08/643328308.db2.gz RBAGLOJUKNCMAK-JTQLQIEISA-N 0 1 248.248 2.057 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CNCc2cnc[nH]2)o1 ZINC000112341600 643332464 /nfs/dbraw/zinc/33/24/64/643332464.db2.gz IPFZWJANYPHAGT-JOYOIKCWSA-N 0 1 231.299 2.416 20 0 BEADMN CCSCCSCCCN1CCOCC1 ZINC000185565476 643336555 /nfs/dbraw/zinc/33/65/55/643336555.db2.gz NTZOBLPRXLTQPG-UHFFFAOYSA-N 0 1 249.445 2.195 20 0 BEADMN CC[C@H]1[C@H](C)CCN1CC(=O)OCC(C)C ZINC000185633208 643345862 /nfs/dbraw/zinc/34/58/62/643345862.db2.gz ONNOCWMGELJFHA-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000804812318 643373440 /nfs/dbraw/zinc/37/34/40/643373440.db2.gz MIVJYAFFPQQDPY-UFGYOYAJSA-N 0 1 236.319 2.037 20 0 BEADMN CCCCOC(=O)CN(C)C(C)(C)CC ZINC000069000005 643439083 /nfs/dbraw/zinc/43/90/83/643439083.db2.gz RFHODZSJPHGUBN-UHFFFAOYSA-N 0 1 215.337 2.450 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000083414167 643448568 /nfs/dbraw/zinc/44/85/68/643448568.db2.gz QRVWUMRMQQEITD-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN c1cc(C2CCN(Cn3cnnc3)CC2)cs1 ZINC000186140108 643453217 /nfs/dbraw/zinc/45/32/17/643453217.db2.gz VXULDPOXEFOVHM-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN Cc1nc(CNC[C@@H]2CCCO2)sc1C ZINC000049820503 643464201 /nfs/dbraw/zinc/46/42/01/643464201.db2.gz KCLVTCGRSSSBNH-JTQLQIEISA-N 0 1 226.345 2.029 20 0 BEADMN Cc1nc(CNC[C@H]2CCCO2)sc1C ZINC000049820505 643464662 /nfs/dbraw/zinc/46/46/62/643464662.db2.gz KCLVTCGRSSSBNH-SNVBAGLBSA-N 0 1 226.345 2.029 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)nn2)[C@@H]1C ZINC000307502174 643488091 /nfs/dbraw/zinc/48/80/91/643488091.db2.gz IWGIYOSXXXERSC-RKDXNWHRSA-N 0 1 225.723 2.360 20 0 BEADMN C[C@H]1CCN(Cc2ccc(Cl)nn2)[C@H]1C ZINC000307502172 643488893 /nfs/dbraw/zinc/48/88/93/643488893.db2.gz IWGIYOSXXXERSC-IUCAKERBSA-N 0 1 225.723 2.360 20 0 BEADMN Cc1cccc(-c2nc([C@@H](N)C(C)C)no2)n1 ZINC000041123344 643493745 /nfs/dbraw/zinc/49/37/45/643493745.db2.gz OYTPSVIRHOVTGU-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000083889941 643543874 /nfs/dbraw/zinc/54/38/74/643543874.db2.gz RDVZUKMRKIGFSD-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CCNCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000044626100 643545894 /nfs/dbraw/zinc/54/58/94/643545894.db2.gz ZUJQKBMYJNAGGA-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN O=C(NOc1ccccc1)c1ccc(F)cc1O ZINC000816685009 643560967 /nfs/dbraw/zinc/56/09/67/643560967.db2.gz ACIOMACDEPPNNG-UHFFFAOYSA-N 0 1 247.225 2.255 20 0 BEADMN Cn1nc2c(c1CNCc1ccsc1)CCC2 ZINC000921535204 643590386 /nfs/dbraw/zinc/59/03/86/643590386.db2.gz ZUGCYXOSKZVFES-UHFFFAOYSA-N 0 1 247.367 2.260 20 0 BEADMN CC(C)C[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638408 643601205 /nfs/dbraw/zinc/60/12/05/643601205.db2.gz CJXPYLDIYSPVNX-UHFFFAOYSA-N 0 1 201.310 2.075 20 0 BEADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])C(C)C ZINC000083638395 643601370 /nfs/dbraw/zinc/60/13/70/643601370.db2.gz ZJYWUCFOAUSUCO-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H]1CCCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000083638353 643601633 /nfs/dbraw/zinc/60/16/33/643601633.db2.gz RBQYHALXJGONAS-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC[C@H]1C ZINC000050126716 643605931 /nfs/dbraw/zinc/60/59/31/643605931.db2.gz CNEVWLNEZSKXLC-SNVBAGLBSA-N 0 1 249.310 2.378 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@H](C)C1 ZINC000084347457 643657773 /nfs/dbraw/zinc/65/77/73/643657773.db2.gz QIELATDFRQNQST-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN CCCN[C@@H](C)c1nc(C2(C)CC2)no1 ZINC000087554243 643665106 /nfs/dbraw/zinc/66/51/06/643665106.db2.gz UFVJXQHLNOGHLQ-QMMMGPOBSA-N 0 1 209.293 2.182 20 0 BEADMN COc1ccc(C)cc1CNC1CSC1 ZINC000075152021 643688306 /nfs/dbraw/zinc/68/83/06/643688306.db2.gz VMLRXRRRCJAAFG-UHFFFAOYSA-N 0 1 223.341 2.209 20 0 BEADMN CC(C)NCc1cn(C2CCCCC2)nn1 ZINC000085273253 643715924 /nfs/dbraw/zinc/71/59/24/643715924.db2.gz MOIRDMFQTUSLKL-UHFFFAOYSA-N 0 1 222.336 2.281 20 0 BEADMN Cc1cnc(Cl)c(CN[C@]2(C)CCOC2)c1 ZINC000921934588 643829309 /nfs/dbraw/zinc/82/93/09/643829309.db2.gz RUSSGKNERIYXFP-GFCCVEGCSA-N 0 1 240.734 2.312 20 0 BEADMN CO[C@@H](C)CNCc1cc(C)cnc1Cl ZINC000922039474 643851938 /nfs/dbraw/zinc/85/19/38/643851938.db2.gz PFVTYPLZVNSOIR-VIFPVBQESA-N 0 1 228.723 2.168 20 0 BEADMN CCc1[nH]nc(Cl)c1CNC[C@H](CC)OC ZINC000922137301 643870451 /nfs/dbraw/zinc/87/04/51/643870451.db2.gz NEBUFUIRNZACHY-QMMMGPOBSA-N 0 1 245.754 2.140 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C/C=C(\C)COC ZINC000929271826 643884927 /nfs/dbraw/zinc/88/49/27/643884927.db2.gz URBLFTGALXCTQB-WXYBXBMJSA-N 0 1 227.348 2.078 20 0 BEADMN Cc1cc(F)c(CN[C@H](C)[C@@H](C)O)c(F)c1 ZINC000425390191 643896038 /nfs/dbraw/zinc/89/60/38/643896038.db2.gz YFGBXNCDFRPIOT-RKDXNWHRSA-N 0 1 229.270 2.132 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2C[C@@](C)(O)C2)c1 ZINC000922190716 643897918 /nfs/dbraw/zinc/89/79/18/643897918.db2.gz OVCQLQXAFQLPGV-KLPPZKSPSA-N 0 1 240.734 2.046 20 0 BEADMN c1n[nH]cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922583644 644034109 /nfs/dbraw/zinc/03/41/09/644034109.db2.gz ZMTMANRKQRTKIJ-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN Cn1cncc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922586437 644035597 /nfs/dbraw/zinc/03/55/97/644035597.db2.gz MQIYFGIVRWVHDI-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922585831 644035923 /nfs/dbraw/zinc/03/59/23/644035923.db2.gz HCJQXPJEJZDGDK-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN CCn1nnc(C)c1CNC(C)(C)/C=C/Cl ZINC000922644873 644050972 /nfs/dbraw/zinc/05/09/72/644050972.db2.gz LAAYNNMXTYLRCK-VOTSOKGWSA-N 0 1 242.754 2.227 20 0 BEADMN CC(C)(/C=C/Cl)NCc1cncnc1 ZINC000922649114 644054424 /nfs/dbraw/zinc/05/44/24/644054424.db2.gz SEMVEOIBXYVHJQ-ONEGZZNKSA-N 0 1 211.696 2.097 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CCCCO2)on1 ZINC000922815472 644105865 /nfs/dbraw/zinc/10/58/65/644105865.db2.gz KAAYWRWEKGJAOG-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN CC(C)C1(C)CCN(CN2CCCC2=O)CC1 ZINC000186887189 644152102 /nfs/dbraw/zinc/15/21/02/644152102.db2.gz VSVYIVJNMDESRU-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CCC(=O)N(C)C1CCN(C[C@H](F)CC)CC1 ZINC001005016848 644160695 /nfs/dbraw/zinc/16/06/95/644160695.db2.gz CUAGDFSEVOCHDG-LLVKDONJSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1cc(F)c(CNCc2cnc[nH]2)c(F)c1 ZINC000922947641 644198859 /nfs/dbraw/zinc/19/88/59/644198859.db2.gz URSAJHZLPICXIB-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN CCc1onc(C)c1CNCc1cccn1C ZINC000922987175 644216626 /nfs/dbraw/zinc/21/66/26/644216626.db2.gz BBEJBCQRAGKLBR-UHFFFAOYSA-N 0 1 233.315 2.174 20 0 BEADMN Cc1ccoc1CNC[C@@H](O)c1ccco1 ZINC000080189569 644237584 /nfs/dbraw/zinc/23/75/84/644237584.db2.gz FCBVCMDDPFHFLB-SNVBAGLBSA-N 0 1 221.256 2.004 20 0 BEADMN Fc1ccc(CN[C@]23C[C@H]2COC32CCC2)nc1 ZINC000923030117 644242371 /nfs/dbraw/zinc/24/23/71/644242371.db2.gz HSFFIFXXQICZMT-IINYFYTJSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1ncc(CNC2([C@@H]3CCCCO3)CC2)o1 ZINC000923028636 644242435 /nfs/dbraw/zinc/24/24/35/644242435.db2.gz SEKHCQWXNQELKP-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CCCCCC[C@@H](O)C[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000923253850 644301132 /nfs/dbraw/zinc/30/11/32/644301132.db2.gz OUTWKLGZTVAPLR-VXGBXAGGSA-N 0 1 245.363 2.113 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc(F)c1 ZINC000923255306 644304108 /nfs/dbraw/zinc/30/41/08/644304108.db2.gz COWQYWOTOKFZGX-GFCCVEGCSA-N 0 1 239.290 2.163 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000923273519 644305964 /nfs/dbraw/zinc/30/59/64/644305964.db2.gz WKBZFLYTGSZIKA-YXVBKTCISA-N 0 1 231.295 2.249 20 0 BEADMN C[C@]1(Cc2cccs2)CCC[N@H+]1CC(=O)[O-] ZINC000923272475 644307715 /nfs/dbraw/zinc/30/77/15/644307715.db2.gz LOLYCJWYZHWVLD-GFCCVEGCSA-N 0 1 239.340 2.230 20 0 BEADMN C/C=C(/C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000081815224 644347899 /nfs/dbraw/zinc/34/78/99/644347899.db2.gz NOZNJGSQSQLMSD-BAQGIRSFSA-N 0 1 247.273 2.284 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H]1C(C)C ZINC000082238288 644362309 /nfs/dbraw/zinc/36/23/09/644362309.db2.gz JMVKRTMGUCHVQP-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H](CC[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000083403606 644403130 /nfs/dbraw/zinc/40/31/30/644403130.db2.gz CGNAYPQIBUNGME-NSHDSACASA-N 0 1 221.300 2.197 20 0 BEADMN CCCc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000083975149 644416281 /nfs/dbraw/zinc/41/62/81/644416281.db2.gz GKKMHEOEPHSSNV-VXGBXAGGSA-N 0 1 249.266 2.210 20 0 BEADMN CCC(CC)n1ccc(CN[C@H](CC)CO)n1 ZINC000085173047 644435928 /nfs/dbraw/zinc/43/59/28/644435928.db2.gz TXUKYBPESLVJQM-LLVKDONJSA-N 0 1 239.363 2.105 20 0 BEADMN C[C@H]1CNCCN1C(=O)C1CCCCCCC1 ZINC000086580656 644468659 /nfs/dbraw/zinc/46/86/59/644468659.db2.gz GVJJDKWBJPJDEE-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H](O)CCNCc1nc(C(C)(C)C)cs1 ZINC000087376147 644492159 /nfs/dbraw/zinc/49/21/59/644492159.db2.gz CIQROZDYTIWEIO-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN C[C@H](O)CCNCc1nc(C(C)(C)C)cs1 ZINC000087376146 644492727 /nfs/dbraw/zinc/49/27/27/644492727.db2.gz CIQROZDYTIWEIO-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN CCC[C@H](Nc1cc(CC)[nH+]c(C)n1)C(=O)[O-] ZINC000088759756 644528608 /nfs/dbraw/zinc/52/86/08/644528608.db2.gz GEJDMIZTBQCIJD-JTQLQIEISA-N 0 1 237.303 2.013 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000245641441 644534484 /nfs/dbraw/zinc/53/44/84/644534484.db2.gz ZAMIZZOKHOSNIY-CHWSQXEVSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H]1CCN(CN2CCSC2=O)C[C@H]1C ZINC000245710465 644538967 /nfs/dbraw/zinc/53/89/67/644538967.db2.gz FEEUBXKIUJVIBH-NXEZZACHSA-N 0 1 228.361 2.091 20 0 BEADMN C=CCCC[C@@H](C)N(CC)CCS(C)(=O)=O ZINC000089264066 644539785 /nfs/dbraw/zinc/53/97/85/644539785.db2.gz LXHCTMZTKFCTBS-GFCCVEGCSA-N 0 1 247.404 2.098 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@H](C)CC ZINC000246792548 644606086 /nfs/dbraw/zinc/60/60/86/644606086.db2.gz PECLTHHNFWWSNA-NXEZZACHSA-N 0 1 201.310 2.058 20 0 BEADMN CCc1nc(COC(=O)/C=C/C(C)(C)C)n[nH]1 ZINC000754815594 644611188 /nfs/dbraw/zinc/61/11/88/644611188.db2.gz JVKITPGLXPPUHJ-VOTSOKGWSA-N 0 1 237.303 2.013 20 0 BEADMN CCC[C@]1(C)CCCN([C@H]2CCOC2=O)C1 ZINC000247476743 644643091 /nfs/dbraw/zinc/64/30/91/644643091.db2.gz JTWVTPPYCXFZRI-WCQYABFASA-N 0 1 225.332 2.204 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)CC1(C)C ZINC000766621828 644667182 /nfs/dbraw/zinc/66/71/82/644667182.db2.gz BEWPFKWIPWSNKB-ZRDIBKRKSA-N 0 1 238.375 2.285 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248369808 644675819 /nfs/dbraw/zinc/67/58/19/644675819.db2.gz WSAAGWCQEUFQEE-WOPDTQHZSA-N 0 1 227.348 2.449 20 0 BEADMN CCC/C=C\C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000769324753 644680301 /nfs/dbraw/zinc/68/03/01/644680301.db2.gz FMANKWZAKWJQOY-GFVADAIESA-N 0 1 235.331 2.122 20 0 BEADMN CCc1nc(CSc2nccn2C2CC2)n[nH]1 ZINC000775173531 644701235 /nfs/dbraw/zinc/70/12/35/644701235.db2.gz JLAZIHNKEHSBGU-UHFFFAOYSA-N 0 1 249.343 2.191 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC=CO2)C[C@@H](C)O1 ZINC000248883917 644704615 /nfs/dbraw/zinc/70/46/15/644704615.db2.gz LNTDAFMCCCXJLS-UPJWGTAASA-N 0 1 225.332 2.178 20 0 BEADMN Cc1ncccc1-c1nc([C@@H](N)C(C)C)no1 ZINC000094649531 644722780 /nfs/dbraw/zinc/72/27/80/644722780.db2.gz OVZIRWPSYVAXFR-JTQLQIEISA-N 0 1 232.287 2.096 20 0 BEADMN COC(CN[C@H](C)c1ccc(C)c(F)c1)OC ZINC000094837419 644730520 /nfs/dbraw/zinc/73/05/20/644730520.db2.gz FSLHQOUBWVFKQP-SNVBAGLBSA-N 0 1 241.306 2.404 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000249887912 644743739 /nfs/dbraw/zinc/74/37/39/644743739.db2.gz RBYPVCABFLTLMR-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000251837432 644825464 /nfs/dbraw/zinc/82/54/64/644825464.db2.gz KZFONDMPNHRFAD-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H](C)C1CC1)N(C)C ZINC000798863550 644825930 /nfs/dbraw/zinc/82/59/30/644825930.db2.gz GXYODEHWUXVVFI-JQWIXIFHSA-N 0 1 227.348 2.162 20 0 BEADMN CC[C@H](C)[C@H](N[C@@H]1CCC[C@H]1C)C(=O)OC ZINC000251937197 644832698 /nfs/dbraw/zinc/83/26/98/644832698.db2.gz SBBPRHKRQVDIRS-QCNOEVLYSA-N 0 1 227.348 2.352 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1[C@H]1CCc2ccccc21 ZINC000252601629 644868484 /nfs/dbraw/zinc/86/84/84/644868484.db2.gz MNPJBINHYXQHGF-QKCSRTOESA-N 0 1 245.322 2.469 20 0 BEADMN CO[C@@H]1CCC[C@H]1NC/C(Cl)=C\Cl ZINC000252643362 644871448 /nfs/dbraw/zinc/87/14/48/644871448.db2.gz NPBVYXTZOXCGEG-LKJMDQPVSA-N 0 1 224.131 2.463 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@H](C)c1cscn1 ZINC000252788382 644906534 /nfs/dbraw/zinc/90/65/34/644906534.db2.gz LTZGBLJPKMEQJC-WCABBAIRSA-N 0 1 226.345 2.361 20 0 BEADMN Oc1ccc(CN2CCCSCC2)cc1F ZINC000813337376 644939602 /nfs/dbraw/zinc/93/96/02/644939602.db2.gz QLTBQHONGXORES-UHFFFAOYSA-N 0 1 241.331 2.470 20 0 BEADMN C1=CO[C@H](CN2C[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000816666357 644964764 /nfs/dbraw/zinc/96/47/64/644964764.db2.gz LGVFAUSNKXHVDL-RRFJBIMHSA-N 0 1 249.354 2.323 20 0 BEADMN CCn1nc(C)c(CNCCC2CCCC2)n1 ZINC000823619957 645047827 /nfs/dbraw/zinc/04/78/27/645047827.db2.gz RCIXKGLRKIDFME-UHFFFAOYSA-N 0 1 236.363 2.276 20 0 BEADMN COC[C@H](NCc1cc(F)ncc1F)C(C)C ZINC000823882085 645051387 /nfs/dbraw/zinc/05/13/87/645051387.db2.gz IXRAVVPZFIYWOG-NSHDSACASA-N 0 1 244.285 2.120 20 0 BEADMN C[C@@H]1C[C@H](NCCc2ccccc2)c2ncnn21 ZINC000826888567 645069261 /nfs/dbraw/zinc/06/92/61/645069261.db2.gz INRMZLKXNBDAAG-YPMHNXCESA-N 0 1 242.326 2.116 20 0 BEADMN CCN1CCN(C(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000827674181 645084339 /nfs/dbraw/zinc/08/43/39/645084339.db2.gz FOTPSSUHCYDECY-NSHDSACASA-N 0 1 236.359 2.039 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CCCO[C@H](C)C1 ZINC000827864105 645088420 /nfs/dbraw/zinc/08/84/20/645088420.db2.gz SMRWBOWGIMBPCD-GFCCVEGCSA-N 0 1 227.348 2.103 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(CC)C[C@H]1CC ZINC000836946365 645182951 /nfs/dbraw/zinc/18/29/51/645182951.db2.gz KWRVJRZMFYARGN-RSKUSDAESA-N 0 1 238.375 2.285 20 0 BEADMN COCCCCN(C)Cn1ncc(Cl)c1C ZINC000841691591 645224982 /nfs/dbraw/zinc/22/49/82/645224982.db2.gz MGQPYANNNXKNJP-UHFFFAOYSA-N 0 1 245.754 2.161 20 0 BEADMN CCn1ccnc1[C@@H](C)NC1CC(SC)C1 ZINC000926533136 645258485 /nfs/dbraw/zinc/25/84/85/645258485.db2.gz OLKAXGHFRUWRHK-KPPDAEKUSA-N 0 1 239.388 2.448 20 0 BEADMN CCc1nc(CN[C@H](C)Cc2ccccn2)co1 ZINC000926538433 645262968 /nfs/dbraw/zinc/26/29/68/645262968.db2.gz XBVDCXBWRICHDY-LLVKDONJSA-N 0 1 245.326 2.353 20 0 BEADMN CC(=O)c1ccc(-c2nc([C@@H](N)C(C)C)no2)o1 ZINC000843152994 645270168 /nfs/dbraw/zinc/27/01/68/645270168.db2.gz KEGHCYVXMUHHOE-JTQLQIEISA-N 0 1 249.270 2.188 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cn(C)cn1)CC(C)C ZINC000926598103 645306989 /nfs/dbraw/zinc/30/69/89/645306989.db2.gz GLWPPVQWBGKZHI-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000926613323 645314442 /nfs/dbraw/zinc/31/44/42/645314442.db2.gz DHHHTOONXPIDEH-JIMOISOXSA-N 0 1 248.374 2.446 20 0 BEADMN Cc1nonc1[C@@H](C)NC1(C2CCC2)CC1 ZINC000926647828 645333539 /nfs/dbraw/zinc/33/35/39/645333539.db2.gz GGTNBWNQGXYRKL-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@H]1C[C@H](NC2(C3CCC3)CC2)c2ncnn21 ZINC000926650298 645337166 /nfs/dbraw/zinc/33/71/66/645337166.db2.gz USVDWXZIYJORLS-ONGXEEELSA-N 0 1 232.331 2.206 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)C(C)(C)C ZINC000926657915 645340533 /nfs/dbraw/zinc/34/05/33/645340533.db2.gz LDHXIMFPSVWARN-VXNVDRBHSA-N 0 1 211.309 2.463 20 0 BEADMN C[C@H]1C[N@@H+](CN2C(=O)CC23CCCC3)C[C@H]1C ZINC000844693222 645344791 /nfs/dbraw/zinc/34/47/91/645344791.db2.gz BAQLQGUWYHRCHM-TXEJJXNPSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@H](NC[C@@H]1CCN1C(C)(C)C)c1ncco1 ZINC000926670893 645347742 /nfs/dbraw/zinc/34/77/42/645347742.db2.gz GJKIXTAEYRJTQD-QWRGUYRKSA-N 0 1 237.347 2.198 20 0 BEADMN Cc1cc(C)cc(CN[C@@H](C)c2cnnn2C)c1 ZINC000926695982 645363267 /nfs/dbraw/zinc/36/32/67/645363267.db2.gz IMUWNRLKPLVMLB-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCC(C)(C)F)n1 ZINC000926699006 645365873 /nfs/dbraw/zinc/36/58/73/645365873.db2.gz KMCTUTOAKPHWTL-SECBINFHSA-N 0 1 242.342 2.395 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCOC(C)(C)C ZINC000926698391 645366098 /nfs/dbraw/zinc/36/60/98/645366098.db2.gz CPJOXODYATWHAZ-SECBINFHSA-N 0 1 241.335 2.234 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCc2ccoc2)n1 ZINC000926703894 645370088 /nfs/dbraw/zinc/37/00/88/645370088.db2.gz WBAKYODMEWVZHN-JTQLQIEISA-N 0 1 248.330 2.093 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@]1(C)CC1(F)F ZINC000926707058 645373275 /nfs/dbraw/zinc/37/32/75/645373275.db2.gz ZUKORPDPOWXRHB-IMTBSYHQSA-N 0 1 231.246 2.074 20 0 BEADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cn(C)cn1 ZINC000926718260 645381073 /nfs/dbraw/zinc/38/10/73/645381073.db2.gz LARIFHHIDPVUNR-WCBMZHEXSA-N 0 1 243.301 2.362 20 0 BEADMN C[C@H](N[C@@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926720390 645382764 /nfs/dbraw/zinc/38/27/64/645382764.db2.gz AFKZNCMQPGLAGX-UFBFGSQYSA-N 0 1 224.304 2.006 20 0 BEADMN C[C@H](NCC[C@@H]1CC1(F)F)c1ncco1 ZINC000926739283 645398308 /nfs/dbraw/zinc/39/83/08/645398308.db2.gz ZDHBVNNQNYLMBF-JGVFFNPUSA-N 0 1 216.231 2.371 20 0 BEADMN CCn1ncc(CNC2CC3(C2)CCCC3)n1 ZINC000926745900 645399402 /nfs/dbraw/zinc/39/94/02/645399402.db2.gz JBWSUYXMOPMHEK-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@H](NCC[C@H]1CCCOC1)c1ncco1 ZINC000926745166 645400557 /nfs/dbraw/zinc/40/05/57/645400557.db2.gz FJBCMNCAOZPYOO-WDEREUQCSA-N 0 1 224.304 2.142 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000926770956 645415607 /nfs/dbraw/zinc/41/56/07/645415607.db2.gz XEXXXMDKDYCBPG-GMTLJSCSSA-N 0 1 235.331 2.465 20 0 BEADMN Cc1cnc(CN2CCCCC[C@H]2CO)s1 ZINC000847018194 645417568 /nfs/dbraw/zinc/41/75/68/645417568.db2.gz WSEFDJJJBHAGDA-NSHDSACASA-N 0 1 240.372 2.188 20 0 BEADMN CO[C@H]1C[C@H](N[C@H]2CCCc3oc(C)nc32)C1 ZINC000926772788 645420709 /nfs/dbraw/zinc/42/07/09/645420709.db2.gz VFNJNBDKRXUWPT-DCAQKATOSA-N 0 1 236.315 2.127 20 0 BEADMN CC(=O)CCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847096767 645424364 /nfs/dbraw/zinc/42/43/64/645424364.db2.gz JRUXLICQAMIEBV-CYBMUJFWSA-N 0 1 239.359 2.389 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCCC12CC2 ZINC000926778907 645424651 /nfs/dbraw/zinc/42/46/51/645424651.db2.gz SWZSQVOYQSNCHC-WPRPVWTQSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccnnc1 ZINC000926798967 645438252 /nfs/dbraw/zinc/43/82/52/645438252.db2.gz PIAIREILZZNVRZ-FTLITQJKSA-N 0 1 231.221 2.078 20 0 BEADMN C[C@H]1C[C@@H](NCC2(CC3CC3)CC2)c2ncnn21 ZINC000926841072 645450901 /nfs/dbraw/zinc/45/09/01/645450901.db2.gz JKWCBELIFHRSLT-CMPLNLGQSA-N 0 1 246.358 2.454 20 0 BEADMN C[C@H]1C[C@H](NCC2(CC3CC3)CC2)c2ncnn21 ZINC000926841075 645450991 /nfs/dbraw/zinc/45/09/91/645450991.db2.gz JKWCBELIFHRSLT-JQWIXIFHSA-N 0 1 246.358 2.454 20 0 BEADMN Cc1nonc1[C@H](C)NCC1(C)CC(F)(F)C1 ZINC000926841254 645451222 /nfs/dbraw/zinc/45/12/22/645451222.db2.gz HRQBCRQIVXSZSS-ZETCQYMHSA-N 0 1 245.273 2.464 20 0 BEADMN CCN1CC[C@H]1CN[C@@H]1CCCc2oc(C)nc21 ZINC000926858147 645460160 /nfs/dbraw/zinc/46/01/60/645460160.db2.gz KXYQETDIWAPBAG-NWDGAFQWSA-N 0 1 249.358 2.044 20 0 BEADMN C[C@@H]1[C@@H](NCc2cc(C3CC3)no2)CO[C@H]1C ZINC000926867317 645463063 /nfs/dbraw/zinc/46/30/63/645463063.db2.gz BYWKRICKNMSWRA-RVBZMBCESA-N 0 1 236.315 2.065 20 0 BEADMN C[C@@H]1OC[C@H](NCc2cc(C3CC3)no2)[C@@H]1C ZINC000926867320 645463571 /nfs/dbraw/zinc/46/35/71/645463571.db2.gz BYWKRICKNMSWRA-ZDMBXUJBSA-N 0 1 236.315 2.065 20 0 BEADMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1cn(C)cn1 ZINC000926870389 645465717 /nfs/dbraw/zinc/46/57/17/645465717.db2.gz AWJQGRDDCOGHBD-NWDGAFQWSA-N 0 1 249.358 2.030 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)n1 ZINC000926884051 645474942 /nfs/dbraw/zinc/47/49/42/645474942.db2.gz DFVRFBOSVCVUTP-XUEURGHRSA-N 0 1 248.374 2.302 20 0 BEADMN C[C@H](NC[C@]1(C)CCCCO1)c1ccn(C)n1 ZINC000927021850 645520868 /nfs/dbraw/zinc/52/08/68/645520868.db2.gz PPTVQYACTLBZLP-AAEUAGOBSA-N 0 1 237.347 2.030 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CCS[C@@H](C)C1 ZINC000927030653 645528283 /nfs/dbraw/zinc/52/82/83/645528283.db2.gz SXTSHSOUWVKPBJ-NRPADANISA-N 0 1 241.360 2.313 20 0 BEADMN Cc1cc(F)c(CN[C@@H]2COC[C@H]2C)c(F)c1 ZINC000927093003 645545999 /nfs/dbraw/zinc/54/59/99/645545999.db2.gz MNEGUSNTXGSADT-NOZJJQNGSA-N 0 1 241.281 2.398 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC(CC2CC2)C1 ZINC000857409783 645553735 /nfs/dbraw/zinc/55/37/35/645553735.db2.gz TZRZIHKNKNQADM-UHFFFAOYSA-N 0 1 245.326 2.159 20 0 BEADMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1cnccn1 ZINC000927164590 645579871 /nfs/dbraw/zinc/57/98/71/645579871.db2.gz YHUGSBWLRVCPQP-YPMHNXCESA-N 0 1 247.342 2.229 20 0 BEADMN Cc1n[nH]c(C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c1C ZINC000927497935 645628889 /nfs/dbraw/zinc/62/88/89/645628889.db2.gz ZBFUNDCAKOBWKU-SRVKXCTJSA-N 0 1 247.342 2.193 20 0 BEADMN CC[C@@H](C)CC(=O)NCc1cc(N(C)C)ccn1 ZINC000927699098 645639192 /nfs/dbraw/zinc/63/91/92/645639192.db2.gz KEDRBADZTIFLEN-LLVKDONJSA-N 0 1 249.358 2.200 20 0 BEADMN CCC(CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927706614 645641309 /nfs/dbraw/zinc/64/13/09/645641309.db2.gz ZOXSBBFZQYUDCQ-UHFFFAOYSA-N 0 1 249.358 2.200 20 0 BEADMN CCC[C@@H](C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927703970 645643105 /nfs/dbraw/zinc/64/31/05/645643105.db2.gz MUZIAXOFGJGGAF-LLVKDONJSA-N 0 1 249.358 2.200 20 0 BEADMN COc1cccc(C)c1CNCc1c[nH]nc1C ZINC000877049272 645788446 /nfs/dbraw/zinc/78/84/46/645788446.db2.gz BLAZYRGJGLUVPU-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CN1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC000928557904 645816446 /nfs/dbraw/zinc/81/64/46/645816446.db2.gz UPRFRGVGIOSEBZ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1conc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000878571738 645818167 /nfs/dbraw/zinc/81/81/67/645818167.db2.gz ACQKRZPJCPSPPU-STQMWFEESA-N 0 1 236.315 2.126 20 0 BEADMN CN1CC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000928560637 645819902 /nfs/dbraw/zinc/81/99/02/645819902.db2.gz ZXUZHJVETCGAGZ-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@H](CC)CC(=O)NC[C@H]1CCN1C ZINC000928563999 645822676 /nfs/dbraw/zinc/82/26/76/645822676.db2.gz SMKHVYCKSHUUQR-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1ccn(C)n1 ZINC000878705038 645823852 /nfs/dbraw/zinc/82/38/52/645823852.db2.gz NJRUTKFPWWPXNG-NEPJUHHUSA-N 0 1 249.358 2.030 20 0 BEADMN CCCCC[C@H](C)CC(=O)NC[C@H]1CCN1C ZINC000928563432 645824115 /nfs/dbraw/zinc/82/41/15/645824115.db2.gz LWGMUMHXCJICMC-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cnccc1CCN[C@H](C)c1ncco1 ZINC000886538062 645888510 /nfs/dbraw/zinc/88/85/10/645888510.db2.gz AUZJYQKPCCBLIG-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN C[C@H](NCCF)c1cnn(-c2ccccc2)c1 ZINC000302241688 645903641 /nfs/dbraw/zinc/90/36/41/645903641.db2.gz FEVLADPZJCNKDS-NSHDSACASA-N 0 1 233.290 2.492 20 0 BEADMN Fc1cccc(CCN2CCc3nc[nH]c3C2)c1 ZINC000929070259 645934645 /nfs/dbraw/zinc/93/46/45/645934645.db2.gz SBTUUOGYBGYOIR-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)CCCSC ZINC000930317441 645952233 /nfs/dbraw/zinc/95/22/33/645952233.db2.gz AFFFKACVHBWUFC-QWRGUYRKSA-N 0 1 247.404 2.259 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2(C)CC=CC2)n[nH]1 ZINC000924202420 646003109 /nfs/dbraw/zinc/00/31/09/646003109.db2.gz RNDMVEXIODEBOU-QMMMGPOBSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1cn(C)nc1CN1CCCC[C@@H]1C ZINC000929219184 646018272 /nfs/dbraw/zinc/01/82/72/646018272.db2.gz WYOMBCJIHYQOGK-NSHDSACASA-N 0 1 207.321 2.103 20 0 BEADMN CCC[C@H](C)N(C)Cc1noc2c1COCC2 ZINC000929252670 646031432 /nfs/dbraw/zinc/03/14/32/646031432.db2.gz SDPQHKIEIYAGRK-JTQLQIEISA-N 0 1 238.331 2.368 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NC[C@@H]1CCCO1 ZINC000924542244 646060920 /nfs/dbraw/zinc/06/09/20/646060920.db2.gz HZEGVQIAINMDIX-WDEREUQCSA-N 0 1 236.315 2.129 20 0 BEADMN Cc1nonc1[C@H](C)NC1CCCCC1 ZINC000924541254 646061447 /nfs/dbraw/zinc/06/14/47/646061447.db2.gz BQMMYEPFNLNHHI-QMMMGPOBSA-N 0 1 209.293 2.361 20 0 BEADMN Cc1cc([C@H]2CCCN2CCOC2CC2)on1 ZINC000929286227 646063710 /nfs/dbraw/zinc/06/37/10/646063710.db2.gz IXFYZKVVFBIMCJ-GFCCVEGCSA-N 0 1 236.315 2.299 20 0 BEADMN Cc1ccccc1CCN[C@H](C)c1cnn(C)n1 ZINC000924560845 646067724 /nfs/dbraw/zinc/06/77/24/646067724.db2.gz PMKMFOGTIYMPIA-GFCCVEGCSA-N 0 1 244.342 2.017 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccnc1 ZINC000924560413 646068846 /nfs/dbraw/zinc/06/88/46/646068846.db2.gz BPAYANGSLKADMM-MNOVXSKESA-N 0 1 228.299 2.283 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1nncn1C ZINC000924642970 646083474 /nfs/dbraw/zinc/08/34/74/646083474.db2.gz FZORBWXABBPKAB-YPMHNXCESA-N 0 1 248.374 2.430 20 0 BEADMN CCN(Cc1cc(C)nnc1C)C[C@H]1CCCO1 ZINC000929417551 646115536 /nfs/dbraw/zinc/11/55/36/646115536.db2.gz AUJGWMMFZUVSKM-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCCO[C@@H](C)C1 ZINC000929487424 646143949 /nfs/dbraw/zinc/14/39/49/646143949.db2.gz HDSDFHMMJCKQLF-WDEREUQCSA-N 0 1 238.306 2.393 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cncc(C(=O)OC)c1 ZINC000929490693 646145711 /nfs/dbraw/zinc/14/57/11/646145711.db2.gz BSPAHXJHZLQYPA-ZDUSSCGKSA-N 0 1 248.326 2.243 20 0 BEADMN C[C@@H](NCc1cccc(CO)c1)c1ccns1 ZINC000924972047 646146343 /nfs/dbraw/zinc/14/63/43/646146343.db2.gz GWEIGEBRJHQESU-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN CCN(CCO)Cc1cnc(-c2ccccc2)o1 ZINC000929514556 646161677 /nfs/dbraw/zinc/16/16/77/646161677.db2.gz UMVCRGBSDGJEGK-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN CCC[C@H](O)CN[C@@H]1CCCc2oc(C)nc21 ZINC000925041530 646164860 /nfs/dbraw/zinc/16/48/60/646164860.db2.gz OUHVYGDTEGCFPB-WDEREUQCSA-N 0 1 238.331 2.111 20 0 BEADMN CCc1cc(CN[C@H](C)c2c(C)noc2C)[nH]n1 ZINC000925058842 646172441 /nfs/dbraw/zinc/17/24/41/646172441.db2.gz ZAJWVOXDDXJNQD-MRVPVSSYSA-N 0 1 248.330 2.428 20 0 BEADMN CCCC[C@H](COC)N[C@@H](C)c1cn(C)cn1 ZINC000925096794 646182871 /nfs/dbraw/zinc/18/28/71/646182871.db2.gz PRLDTBWBYLKDBR-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@H](COC)N[C@@H]1CCCc2oc(C)nc21 ZINC000925109361 646185672 /nfs/dbraw/zinc/18/56/72/646185672.db2.gz CRPAUZSCMZPWGH-GHMZBOCLSA-N 0 1 238.331 2.375 20 0 BEADMN CC[C@@H](COC)N[C@@H]1CCCc2oc(C)nc21 ZINC000925109368 646186157 /nfs/dbraw/zinc/18/61/57/646186157.db2.gz CRPAUZSCMZPWGH-WDEREUQCSA-N 0 1 238.331 2.375 20 0 BEADMN CCc1cc(CN[C@H](C)C2(Cl)CC2)on1 ZINC000925128671 646190625 /nfs/dbraw/zinc/19/06/25/646190625.db2.gz DCFOAQZUWHHVOX-MRVPVSSYSA-N 0 1 228.723 2.487 20 0 BEADMN CS[C@@H]1CC[C@H](N[C@H](C)c2nonc2C)C1 ZINC000925155774 646197042 /nfs/dbraw/zinc/19/70/42/646197042.db2.gz HIEZYBRQZXAGDQ-FKTZTGRPSA-N 0 1 241.360 2.313 20 0 BEADMN CS[C@@H]1CC[C@@H](N[C@@H](C)c2nonc2C)C1 ZINC000925155775 646198005 /nfs/dbraw/zinc/19/80/05/646198005.db2.gz HIEZYBRQZXAGDQ-FXBDTBDDSA-N 0 1 241.360 2.313 20 0 BEADMN C[C@@H](NC[C@@H]1CCCn2ccnc21)c1ncco1 ZINC000925173539 646199708 /nfs/dbraw/zinc/19/97/08/646199708.db2.gz YRYBGEQBBGKOBG-MNOVXSKESA-N 0 1 246.314 2.099 20 0 BEADMN C[C@H](NC[C@H]1CCCn2ccnc21)c1ncco1 ZINC000925173543 646200191 /nfs/dbraw/zinc/20/01/91/646200191.db2.gz YRYBGEQBBGKOBG-WDEREUQCSA-N 0 1 246.314 2.099 20 0 BEADMN Cc1cn(C)nc1CN1CC[C@H](c2ccco2)C1 ZINC000929617804 646201494 /nfs/dbraw/zinc/20/14/94/646201494.db2.gz KPCLZZSYZBBFFT-LBPRGKRZSA-N 0 1 245.326 2.311 20 0 BEADMN CC[C@@H](C)CN(C)Cc1nn(C)cc1C ZINC000929620035 646203066 /nfs/dbraw/zinc/20/30/66/646203066.db2.gz PUWXMLRJJXHVHF-SNVBAGLBSA-N 0 1 209.337 2.206 20 0 BEADMN CC[C@H](C)CN(C)Cc1noc2c1COCC2 ZINC000929618761 646203861 /nfs/dbraw/zinc/20/38/61/646203861.db2.gz IKIOURFJCLRILF-JTQLQIEISA-N 0 1 238.331 2.225 20 0 BEADMN CC[C@H](C)CN(C)Cc1nn(C)cc1C ZINC000929620034 646204030 /nfs/dbraw/zinc/20/40/30/646204030.db2.gz PUWXMLRJJXHVHF-JTQLQIEISA-N 0 1 209.337 2.206 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1ncco1 ZINC000925211948 646208701 /nfs/dbraw/zinc/20/87/01/646208701.db2.gz CVJHAKJETRSXBO-DMDPSCGWSA-N 0 1 238.331 2.266 20 0 BEADMN CC(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ncco1 ZINC000925219660 646211678 /nfs/dbraw/zinc/21/16/78/646211678.db2.gz FGXMAWNRPQJZIF-TUAOUCFPSA-N 0 1 238.331 2.386 20 0 BEADMN CCCCCN(CCO)Cc1cnc(CC)o1 ZINC000929629665 646214140 /nfs/dbraw/zinc/21/41/40/646214140.db2.gz UEEJAWVYUMPYQU-UHFFFAOYSA-N 0 1 240.347 2.222 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H](C)Cc1ccncc1 ZINC000925228319 646214299 /nfs/dbraw/zinc/21/42/99/646214299.db2.gz WHQFEGDTQHVJKE-VHSXEESVSA-N 0 1 246.314 2.055 20 0 BEADMN CCO[C@H]1CCCN(Cc2cc(C)nnc2C)C1 ZINC000929679959 646236748 /nfs/dbraw/zinc/23/67/48/646236748.db2.gz SCPTWWFJXDDJMD-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1ccc(C)c(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000925396270 646259592 /nfs/dbraw/zinc/25/95/92/646259592.db2.gz LDSWODZCTXYEPQ-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC(C)(C)C1 ZINC000929751149 646273829 /nfs/dbraw/zinc/27/38/29/646273829.db2.gz YKMLJBSDNZHCHH-JTQLQIEISA-N 0 1 205.305 2.270 20 0 BEADMN C[C@H](NCCCc1nccs1)c1ncco1 ZINC000925441341 646284728 /nfs/dbraw/zinc/28/47/28/646284728.db2.gz HFDRIOLKHGHHNJ-VIFPVBQESA-N 0 1 237.328 2.415 20 0 BEADMN C[C@H]1c2ccccc2CN1CCO[C@@H]1CCOC1 ZINC000929766548 646296511 /nfs/dbraw/zinc/29/65/11/646296511.db2.gz OECNNSSMQXLTBC-GXTWGEPZSA-N 0 1 247.338 2.369 20 0 BEADMN C[C@H]1c2ccccc2CN1CCO[C@H]1CCOC1 ZINC000929766550 646298309 /nfs/dbraw/zinc/29/83/09/646298309.db2.gz OECNNSSMQXLTBC-JSGCOSHPSA-N 0 1 247.338 2.369 20 0 BEADMN C[C@H](NCC1(C)CCC1)c1cc(CO)on1 ZINC000925498002 646300995 /nfs/dbraw/zinc/30/09/95/646300995.db2.gz LIBYDQLLCCMTTM-VIFPVBQESA-N 0 1 224.304 2.008 20 0 BEADMN CCC1(CN[C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000925498949 646303628 /nfs/dbraw/zinc/30/36/28/646303628.db2.gz UKCHFCDUWROVSN-UWVGGRQHSA-N 0 1 220.320 2.064 20 0 BEADMN CC(C)(C)NC(=O)c1cccc(F)c1O ZINC000929777916 646305504 /nfs/dbraw/zinc/30/55/04/646305504.db2.gz FVSULTRSDYJHPJ-UHFFFAOYSA-N 0 1 211.236 2.060 20 0 BEADMN CCC(C)(C)NC(=O)c1cccc(F)c1O ZINC000929776990 646306818 /nfs/dbraw/zinc/30/68/18/646306818.db2.gz FBPLRJMZDQQOQE-UHFFFAOYSA-N 0 1 225.263 2.450 20 0 BEADMN CCCC1(CN[C@H](C)c2cc(CO)on2)CC1 ZINC000925533082 646319838 /nfs/dbraw/zinc/31/98/38/646319838.db2.gz JBYNRMMTKOSXKN-SNVBAGLBSA-N 0 1 238.331 2.398 20 0 BEADMN Cc1nc2c(cccc2C(=O)N(C)CCCF)[nH]1 ZINC000925546463 646326491 /nfs/dbraw/zinc/32/64/91/646326491.db2.gz NSDAGCLARZERJI-UHFFFAOYSA-N 0 1 249.289 2.303 20 0 BEADMN CS[C@@H](C)CN[C@H](C)c1cn(C(C)C)nn1 ZINC000925599613 646346841 /nfs/dbraw/zinc/34/68/41/646346841.db2.gz ASQXQYKEMYVZNF-VHSXEESVSA-N 0 1 242.392 2.261 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000929917021 646373642 /nfs/dbraw/zinc/37/36/42/646373642.db2.gz WILMQWIDWRAZPW-CNDDSTCGSA-N 0 1 247.342 2.161 20 0 BEADMN CC[C@@H](CO)N1CCc2[nH]c3ccccc3c2C1 ZINC000929966366 646378217 /nfs/dbraw/zinc/37/82/17/646378217.db2.gz AINIYGYDMDDZLP-NSHDSACASA-N 0 1 244.338 2.297 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)Cc1nn(C)cc1C ZINC000929985754 646385678 /nfs/dbraw/zinc/38/56/78/646385678.db2.gz FRFPAWXMEYJRAD-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN CSCC[C@H](C)N(C)Cc1nn(C)cc1C ZINC000929985754 646385681 /nfs/dbraw/zinc/38/56/81/646385681.db2.gz FRFPAWXMEYJRAD-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN Cc1cccc(CN(C)CCOC2CC2)n1 ZINC000929993187 646388762 /nfs/dbraw/zinc/38/87/62/646388762.db2.gz GLEQMSVKYMIEIF-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)C2(Cl)CC2)n[nH]1 ZINC000925658022 646393520 /nfs/dbraw/zinc/39/35/20/646393520.db2.gz QLTOBLFLRWZCOL-HTQZYQBOSA-N 0 1 242.754 2.178 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000925660739 646396657 /nfs/dbraw/zinc/39/66/57/646396657.db2.gz AHZJHOKWOZYFKR-TUAOUCFPSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCO[C@H]1C ZINC000925662326 646397926 /nfs/dbraw/zinc/39/79/26/646397926.db2.gz GUDPLCDEAVLLBR-GDPRMGEGSA-N 0 1 236.315 2.127 20 0 BEADMN CC[C@H](CSC)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000925691015 646412947 /nfs/dbraw/zinc/41/29/47/646412947.db2.gz LDAPQSZVFIWSGM-OPRDCNLKSA-N 0 1 240.376 2.015 20 0 BEADMN CCc1ncc(CN(C)[C@H](CO)C(C)(C)C)o1 ZINC000930057124 646415193 /nfs/dbraw/zinc/41/51/93/646415193.db2.gz PXVLPRKMLYJZMZ-LLVKDONJSA-N 0 1 240.347 2.076 20 0 BEADMN c1cncc(CN(CCOC2CC2)C2CC2)c1 ZINC000930112561 646439873 /nfs/dbraw/zinc/43/98/73/646439873.db2.gz XKJLCQTWVRTPQJ-UHFFFAOYSA-N 0 1 232.327 2.225 20 0 BEADMN C[C@@H](c1cccnc1)N(C)CCOC1CC1 ZINC000930119250 646442461 /nfs/dbraw/zinc/44/24/61/646442461.db2.gz MOWOHHXBCXZDCS-NSHDSACASA-N 0 1 220.316 2.253 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CC[C@H]2C[C@H]21 ZINC000930121480 646444847 /nfs/dbraw/zinc/44/48/47/646444847.db2.gz FPPACKFSJQHTAG-WCABBAIRSA-N 0 1 206.264 2.376 20 0 BEADMN FC(F)(F)[C@@H]1CC[C@H](CN2CC[C@H]3C[C@H]32)O1 ZINC000930121468 646445531 /nfs/dbraw/zinc/44/55/31/646445531.db2.gz FKRDKGYWXCYHAH-JLIMGVALSA-N 0 1 235.249 2.191 20 0 BEADMN CCc1ncc(CN2CC[C@H](C(F)F)C2)o1 ZINC000930126275 646449470 /nfs/dbraw/zinc/44/94/70/646449470.db2.gz MXPIBERFEIADAI-QMMMGPOBSA-N 0 1 230.258 2.324 20 0 BEADMN CCc1ncc(CN(C)CCc2ccncc2)o1 ZINC000930158381 646465474 /nfs/dbraw/zinc/46/54/74/646465474.db2.gz MLRUBOYNIDJHMF-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1ccc(F)c(Cl)c1 ZINC000925869381 646519624 /nfs/dbraw/zinc/51/96/24/646519624.db2.gz DAKGZHVXCUNDLS-APPZFPTMSA-N 0 1 244.697 2.033 20 0 BEADMN Cc1cc(C)c([C@@H](C)N[C@H]2CNOC2)cc1C ZINC000925870259 646521799 /nfs/dbraw/zinc/52/17/99/646521799.db2.gz QPYMCXFUTJNAGR-OLZOCXBDSA-N 0 1 234.343 2.166 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC2(C3CC3)CC2)n1 ZINC000925896017 646535001 /nfs/dbraw/zinc/53/50/01/646535001.db2.gz HPPGEPLCTSWKDT-SECBINFHSA-N 0 1 234.347 2.200 20 0 BEADMN COc1ccnc([C@@H](C)NCCOC(C)C)c1 ZINC000926152996 646586166 /nfs/dbraw/zinc/58/61/66/646586166.db2.gz AHAZRTCTWDTBGM-LLVKDONJSA-N 0 1 238.331 2.166 20 0 BEADMN COCCC(C)(C)CN[C@H](C)c1nonc1C ZINC000926167781 646586860 /nfs/dbraw/zinc/58/68/60/646586860.db2.gz PEXXNNBRGKTWLR-SECBINFHSA-N 0 1 241.335 2.091 20 0 BEADMN CC(C)(C)[C@H](NCC(F)(F)CO)C1CC1 ZINC000926194594 646591633 /nfs/dbraw/zinc/59/16/33/646591633.db2.gz WLRGRRVMIMYOSV-SECBINFHSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1CC(C)(C)C1 ZINC000926240040 646603118 /nfs/dbraw/zinc/60/31/18/646603118.db2.gz WAZICQWSSMULIL-MRVPVSSYSA-N 0 1 223.320 2.465 20 0 BEADMN C[C@H](NC1CC2(C1)CCCC2)c1ncnn1C ZINC000926260842 646607505 /nfs/dbraw/zinc/60/75/05/646607505.db2.gz GSLUTYQZQJLWOY-JTQLQIEISA-N 0 1 234.347 2.189 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000926285484 646611316 /nfs/dbraw/zinc/61/13/16/646611316.db2.gz RZASNJCXGOIWDE-PSASIEDQSA-N 0 1 221.304 2.361 20 0 BEADMN CC(C)c1nc(CN[C@@H](C)C2(Cl)CC2)n[nH]1 ZINC000926505208 646666396 /nfs/dbraw/zinc/66/63/96/646666396.db2.gz DNWCELHRZQERBT-QMMMGPOBSA-N 0 1 242.754 2.178 20 0 BEADMN CC(C)CN(CCS(=O)(=O)C(C)C)C(C)C ZINC000178215882 711680394 /nfs/dbraw/zinc/68/03/94/711680394.db2.gz GXMVUBCUWYHENT-UHFFFAOYSA-N 0 1 249.420 2.176 20 0 BEADMN Cc1cnn(C)c1CN[C@@H](C)c1cncs1 ZINC000394077639 711683651 /nfs/dbraw/zinc/68/36/51/711683651.db2.gz FJGBCOLQWANRQM-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1cc(O)ccc1Cl ZINC000926854095 711688940 /nfs/dbraw/zinc/68/89/40/711688940.db2.gz CYMOKZNWOKOFAZ-PRHODGIISA-N 0 1 241.718 2.170 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@H](C)[C@@H](C)C2)C1 ZINC000245742051 711804721 /nfs/dbraw/zinc/80/47/21/711804721.db2.gz LYJLQERAEPHRMS-RWMBFGLXSA-N 0 1 238.375 2.180 20 0 BEADMN CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032597330 711927851 /nfs/dbraw/zinc/92/78/51/711927851.db2.gz MGIKWJAWECRMIY-RYUDHWBXSA-N 0 1 238.375 2.116 20 0 BEADMN CS[C@H]1CC[C@@H](NCc2ncc(C)o2)C1 ZINC000700369263 711990876 /nfs/dbraw/zinc/99/08/76/711990876.db2.gz YWEYOTPLLMNTCK-ZJUUUORDSA-N 0 1 226.345 2.357 20 0 BEADMN COC(=O)c1occc1CNC1(C)CC=CC1 ZINC000702160695 712039975 /nfs/dbraw/zinc/03/99/75/712039975.db2.gz ASJICGCPWVBOAI-UHFFFAOYSA-N 0 1 235.283 2.265 20 0 BEADMN COc1ccncc1CN[C@@H](C)C1(Cl)CC1 ZINC000702337757 712047930 /nfs/dbraw/zinc/04/79/30/712047930.db2.gz RFJWHATXYQOESO-VIFPVBQESA-N 0 1 240.734 2.340 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1cn(C)cn1 ZINC000709932700 712233661 /nfs/dbraw/zinc/23/36/61/712233661.db2.gz FUBIDCGXWQHGNL-SNVBAGLBSA-N 0 1 205.305 2.181 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC2CC2)C[C@@]1(C)C(=O)[O-] ZINC000710141265 712245621 /nfs/dbraw/zinc/24/56/21/712245621.db2.gz ZMPHIBMMWVSTHS-ZWNOBZJWSA-N 0 1 225.332 2.219 20 0 BEADMN COC1(OC)CC[C@H]1NCc1cscc1C ZINC000710969466 712270365 /nfs/dbraw/zinc/27/03/65/712270365.db2.gz YFDNNLJSBLXYPN-LLVKDONJSA-N 0 1 241.356 2.298 20 0 BEADMN c1nc(CNC[C@@H]2CCC3(CCC3)O2)cs1 ZINC000711454401 712304004 /nfs/dbraw/zinc/30/40/04/712304004.db2.gz CFCIDOLOCLTNQB-NSHDSACASA-N 0 1 238.356 2.334 20 0 BEADMN CCCCCC[C@@H](O)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000923255271 712309080 /nfs/dbraw/zinc/30/90/80/712309080.db2.gz CJNHLWIIICNAQN-NEPJUHHUSA-N 0 1 245.363 2.113 20 0 BEADMN C[C@@]1(CNCc2nccn2C2CC2)CC1(F)F ZINC000711749802 712323718 /nfs/dbraw/zinc/32/37/18/712323718.db2.gz BLPJKUWRQUHYJQ-NSHDSACASA-N 0 1 241.285 2.353 20 0 BEADMN C[C@H]1C[C@@H](NCc2cnn(C)c2Cl)CS1 ZINC000712477568 712430331 /nfs/dbraw/zinc/43/03/31/712430331.db2.gz FYDIHOCMQWSCTD-IONNQARKSA-N 0 1 245.779 2.057 20 0 BEADMN C[C@@H]1C[C@H](NCc2cnn(C)c2Cl)CS1 ZINC000712477564 712430583 /nfs/dbraw/zinc/43/05/83/712430583.db2.gz FYDIHOCMQWSCTD-APPZFPTMSA-N 0 1 245.779 2.057 20 0 BEADMN Cc1cc(CNC[C@@H]2CCC(C)(C)CO2)on1 ZINC000713609748 712467052 /nfs/dbraw/zinc/46/70/52/712467052.db2.gz JPIOIFRQHUPRDA-NSHDSACASA-N 0 1 238.331 2.278 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC000714336170 712482642 /nfs/dbraw/zinc/48/26/42/712482642.db2.gz BLUPRDULYCNWNA-NSHDSACASA-N 0 1 243.347 2.129 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCC(C)(C)O2)on1 ZINC000714387048 712487307 /nfs/dbraw/zinc/48/73/07/712487307.db2.gz VHQXNOGIFYJVCX-NSHDSACASA-N 0 1 238.331 2.420 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccns1 ZINC000715955763 712545382 /nfs/dbraw/zinc/54/53/82/712545382.db2.gz TWRYDDGJYLSIEE-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN CCOC(CN[C@@H](C)c1ccns1)OCC ZINC000716003450 712552310 /nfs/dbraw/zinc/55/23/10/712552310.db2.gz WCGOHWQVRRZPLN-VIFPVBQESA-N 0 1 244.360 2.193 20 0 BEADMN Cc1cnc(CNCc2n[nH]c(C)c2C)s1 ZINC000716464114 712562999 /nfs/dbraw/zinc/56/29/99/712562999.db2.gz FFKSIAKTBZPAHV-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1ccccc1[C@H](CO)NC/C=C/Cl ZINC000379962157 712637145 /nfs/dbraw/zinc/63/71/45/712637145.db2.gz XGBRCNVENSALRQ-NTYUQYKDSA-N 0 1 225.719 2.371 20 0 BEADMN Cn1cnc(CNCCSC(C)(C)C)c1 ZINC000380162790 712703173 /nfs/dbraw/zinc/70/31/73/712703173.db2.gz CHNQYJYCDZNMGF-UHFFFAOYSA-N 0 1 227.377 2.041 20 0 BEADMN CCCOC(=O)[C@H](C)N(C(C)C)C1CC1 ZINC000158948256 712722477 /nfs/dbraw/zinc/72/24/77/712722477.db2.gz GUVONEJGQUWFNM-JTQLQIEISA-N 0 1 213.321 2.201 20 0 BEADMN Cc1ccccc1OCCN1CCSCC1 ZINC000047988356 712723114 /nfs/dbraw/zinc/72/31/14/712723114.db2.gz JLBUXSBFEJKORB-UHFFFAOYSA-N 0 1 237.368 2.423 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCCC(C)(F)F)C1 ZINC000718635605 712772865 /nfs/dbraw/zinc/77/28/65/712772865.db2.gz IFZMMHCFTSZTGP-VHSXEESVSA-N 0 1 249.301 2.464 20 0 BEADMN CC(C)C[N@@H+](CCCC(C)(F)F)CC(=O)[O-] ZINC000718615503 712773883 /nfs/dbraw/zinc/77/38/83/712773883.db2.gz MEORPZQHANDZKE-UHFFFAOYSA-N 0 1 237.290 2.464 20 0 BEADMN CO[C@@H]1CCC[C@@H](NCC(F)F)CC1 ZINC000718815768 712784171 /nfs/dbraw/zinc/78/41/71/712784171.db2.gz VCSCCGGBOGGLIA-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNCc1ccon1 ZINC000720403385 712839600 /nfs/dbraw/zinc/83/96/00/712839600.db2.gz AOLUKSLWLMIRAR-LSKIRQOJSA-N 0 1 206.289 2.056 20 0 BEADMN C[C@H]1SCC[C@@H]1NCc1ncc(Cl)n1C ZINC000380322210 712883352 /nfs/dbraw/zinc/88/33/52/712883352.db2.gz KTRJETANXUNKHC-SFYZADRCSA-N 0 1 245.779 2.057 20 0 BEADMN OCc1cccc(-c2[nH]ccc3ncnc2-3)c1 ZINC001241506453 1169723761 /nfs/dbraw/zinc/72/37/61/1169723761.db2.gz YPUGYJQWQBDHKB-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1cccc(-c2nccc3[nH]cnc32)c1 ZINC001241506453 1169723764 /nfs/dbraw/zinc/72/37/64/1169723764.db2.gz YPUGYJQWQBDHKB-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN COc1cc([C@@H](C)NC/C=C/Cl)ccn1 ZINC000380359877 712897226 /nfs/dbraw/zinc/89/72/26/712897226.db2.gz XWPAIPNDVDNUQK-HYYFJVDXSA-N 0 1 226.707 2.493 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCSC(C)(C)C ZINC000380901235 710594718 /nfs/dbraw/zinc/59/47/18/710594718.db2.gz XHSGCVLZTSUFCR-ZJUUUORDSA-N 0 1 245.388 2.313 20 0 BEADMN NC1(c2noc([C@@H]3CC3(Cl)Cl)n2)CCC1 ZINC000381362455 710627014 /nfs/dbraw/zinc/62/70/14/710627014.db2.gz FJCIMHSCDRMHJR-YFKPBYRVSA-N 0 1 248.113 2.069 20 0 BEADMN NC1(c2noc([C@H]3CC3(Cl)Cl)n2)CCC1 ZINC000381362445 710626695 /nfs/dbraw/zinc/62/66/95/710626695.db2.gz FJCIMHSCDRMHJR-RXMQYKEDSA-N 0 1 248.113 2.069 20 0 BEADMN ClC1(Cl)C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000381496000 710646500 /nfs/dbraw/zinc/64/65/00/710646500.db2.gz BSYAOTJAPBINEQ-WDSKDSINSA-N 0 1 248.113 2.155 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H](O)CC(C)C)no1 ZINC000381530293 710651282 /nfs/dbraw/zinc/65/12/82/710651282.db2.gz YRFVXNWTVOZTDW-MNOVXSKESA-N 0 1 226.320 2.041 20 0 BEADMN OC[C@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000381631731 710664696 /nfs/dbraw/zinc/66/46/96/710664696.db2.gz QVPJLYHAQPHHOE-LBPRGKRZSA-N 0 1 243.709 2.340 20 0 BEADMN CCO[C@@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000721237711 712899968 /nfs/dbraw/zinc/89/99/68/712899968.db2.gz SWWCSXGJSCSQRF-DGCLKSJQSA-N 0 1 238.331 2.420 20 0 BEADMN C[C@@H](CCCO)NCc1nc(C(C)(C)C)co1 ZINC000724407813 710738975 /nfs/dbraw/zinc/73/89/75/710738975.db2.gz KPMBFJIGEYLWNT-JTQLQIEISA-N 0 1 240.347 2.223 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000723080450 710724910 /nfs/dbraw/zinc/72/49/10/710724910.db2.gz YFEGEHGAZJPITB-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000723140663 710726208 /nfs/dbraw/zinc/72/62/08/710726208.db2.gz VCOJUHRYSWISMB-MOLYVOAJSA-N 0 1 237.343 2.218 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000723083983 710726748 /nfs/dbraw/zinc/72/67/48/710726748.db2.gz AARLOLAOXPHVFW-UHXUPSOCSA-N 0 1 237.343 2.219 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000723124682 710727042 /nfs/dbraw/zinc/72/70/42/710727042.db2.gz BUPLQPYPXNKRQP-WISYIIOYSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)=CCNCc1cnn(C)c1Cl ZINC000382181947 710805606 /nfs/dbraw/zinc/80/56/06/710805606.db2.gz ZRQCSSQYSOZFDV-UHFFFAOYSA-N 0 1 213.712 2.129 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC2CCC1CC2 ZINC000399967612 710912039 /nfs/dbraw/zinc/91/20/39/710912039.db2.gz DAHPXQDOWAMDDH-XKGSQUFQSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC2CCC1CC2 ZINC000399967613 710912245 /nfs/dbraw/zinc/91/22/45/710912245.db2.gz DAHPXQDOWAMDDH-YYJSSNLHSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000383811587 710946137 /nfs/dbraw/zinc/94/61/37/710946137.db2.gz AOODKQXVRWKBQL-VXGBXAGGSA-N 0 1 223.316 2.139 20 0 BEADMN COC(OC)[C@@H](C)NCc1cccc(C)c1F ZINC000384531920 710917064 /nfs/dbraw/zinc/91/70/64/710917064.db2.gz MLWAZWZXFKFRSH-SNVBAGLBSA-N 0 1 241.306 2.231 20 0 BEADMN CC1=CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000382490913 710971356 /nfs/dbraw/zinc/97/13/56/710971356.db2.gz DHMCQVSFMDLCLJ-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN Cc1[nH+]c(N2CC[C@@H](C)[C@H]2C)ccc1C(=O)[O-] ZINC000380598114 712901950 /nfs/dbraw/zinc/90/19/50/712901950.db2.gz UCHYNKSVWSWBDL-PSASIEDQSA-N 0 1 234.299 2.323 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000385234163 711008181 /nfs/dbraw/zinc/00/81/81/711008181.db2.gz SVICVFNLIRNZQH-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1nccc(NC[C@H](O)CC(C)C)c1Cl ZINC000380686858 712902560 /nfs/dbraw/zinc/90/25/60/712902560.db2.gz HSLSBROLZMJBMI-SNVBAGLBSA-N 0 1 242.750 2.284 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C\Cl)C1 ZINC000389309296 711075437 /nfs/dbraw/zinc/07/54/37/711075437.db2.gz BBIOYWFMAVZQDQ-USEMIUTHSA-N 0 1 231.723 2.172 20 0 BEADMN FCCNCc1cnc2ccccc2c1 ZINC000389382948 711078423 /nfs/dbraw/zinc/07/84/23/711078423.db2.gz RAAMXLYZAOKFGZ-UHFFFAOYSA-N 0 1 204.248 2.294 20 0 BEADMN C[C@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000389571412 711081793 /nfs/dbraw/zinc/08/17/93/711081793.db2.gz BMKXIVSLXFWRFC-QMMMGPOBSA-N 0 1 228.679 2.267 20 0 BEADMN FC1(F)CCC(NCc2ncccn2)CC1 ZINC000390023249 711104621 /nfs/dbraw/zinc/10/46/21/711104621.db2.gz VASRXOAVVKBLPM-UHFFFAOYSA-N 0 1 227.258 2.144 20 0 BEADMN CSCC[C@@H](C)NCc1cn(C(C)C)nn1 ZINC000390628959 711129141 /nfs/dbraw/zinc/12/91/41/711129141.db2.gz IAOHKHPLYBMXBN-SNVBAGLBSA-N 0 1 242.392 2.090 20 0 BEADMN Cc1nc([C@@H](C)NCc2cccc(C)c2F)n[nH]1 ZINC000392367462 711144478 /nfs/dbraw/zinc/14/44/78/711144478.db2.gz IEOBQPMWDBAGFU-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nnc(CN[C@@H](C)Cc2ccco2)s1 ZINC000391857838 711139697 /nfs/dbraw/zinc/13/96/97/711139697.db2.gz VYTQEUUNYHSYFR-QMMMGPOBSA-N 0 1 237.328 2.160 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C)C(C)(C)C ZINC000393643533 711168577 /nfs/dbraw/zinc/16/85/77/711168577.db2.gz BNQXBUPTADVECZ-AXFHLTTASA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C)C(C)(C)C ZINC000393643534 711168633 /nfs/dbraw/zinc/16/86/33/711168633.db2.gz BNQXBUPTADVECZ-GMTAPVOTSA-N 0 1 227.348 2.464 20 0 BEADMN COC(=O)/C(C)=C\CN[C@H](C)c1cccc(O)c1 ZINC000394966418 711199195 /nfs/dbraw/zinc/19/91/95/711199195.db2.gz SWGAUHFPNBDXRX-ZJRUKIMVSA-N 0 1 249.310 2.162 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCC2CC2)C1 ZINC000398801415 711416416 /nfs/dbraw/zinc/41/64/16/711416416.db2.gz SWXUETOCQQMKPF-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccc(Cl)nc1 ZINC000381442113 710636279 /nfs/dbraw/zinc/63/62/79/710636279.db2.gz ZQIUANMTFQZXIA-JTQLQIEISA-N 0 1 240.734 2.080 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1cnsn1 ZINC000399746008 711435264 /nfs/dbraw/zinc/43/52/64/711435264.db2.gz DMMOABGOLRKENH-WCBMZHEXSA-N 0 1 211.334 2.206 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722638160 711456904 /nfs/dbraw/zinc/45/69/04/711456904.db2.gz PDHURBOLAOVYSA-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722664395 711463657 /nfs/dbraw/zinc/46/36/57/711463657.db2.gz KECLEDUBURYVPE-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000713704712 711492231 /nfs/dbraw/zinc/49/22/31/711492231.db2.gz WBQJGPJDKOIMPO-MVZIDQBPSA-N 0 1 223.316 2.305 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000723141384 711507097 /nfs/dbraw/zinc/50/70/97/711507097.db2.gz ATKUFHQERRIZPD-WHOHXGKFSA-N 0 1 225.332 2.075 20 0 BEADMN Cc1cc(N)nc(N(C)C2CCCCC2)n1 ZINC000891395807 711510841 /nfs/dbraw/zinc/51/08/41/711510841.db2.gz ZWSWFLZTYLUJKI-UHFFFAOYSA-N 0 1 220.320 2.136 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H]2COCC[C@H]2C1)C(F)F ZINC000723619984 711526337 /nfs/dbraw/zinc/52/63/37/711526337.db2.gz NPOVUVOHIAONNZ-UKKRHICBSA-N 0 1 233.302 2.435 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H](O)c1ccccc1 ZINC000290494046 711531718 /nfs/dbraw/zinc/53/17/18/711531718.db2.gz XYFSEOMTBUGXJK-NTZNESFSSA-N 0 1 245.326 2.182 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000723868493 711540043 /nfs/dbraw/zinc/54/00/43/711540043.db2.gz RMAKBRHWSQMNBY-CYBMUJFWSA-N 0 1 248.326 2.138 20 0 BEADMN CC(F)(F)CN[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723962103 711548336 /nfs/dbraw/zinc/54/83/36/711548336.db2.gz BHSTXBGLDPEPPQ-QWRGUYRKSA-N 0 1 233.302 2.436 20 0 BEADMN CC(F)(F)CN[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723962101 711548518 /nfs/dbraw/zinc/54/85/18/711548518.db2.gz BHSTXBGLDPEPPQ-GHMZBOCLSA-N 0 1 233.302 2.436 20 0 BEADMN CC[C@H](N[C@H](C)C(F)F)[C@H]1CCCOC1 ZINC000724010141 711555158 /nfs/dbraw/zinc/55/51/58/711555158.db2.gz PNEQRHDGWWKACY-UTLUCORTSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H](NCC(C)(F)F)[C@@H]1CCCOC1 ZINC000724008014 711555453 /nfs/dbraw/zinc/55/54/53/711555453.db2.gz TZVWQNBOSZIKIN-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN CC(C)n1ncnc1CNCCC1CC=CC1 ZINC000724200116 711569097 /nfs/dbraw/zinc/56/90/97/711569097.db2.gz KWZQHCNLYRKJDZ-UHFFFAOYSA-N 0 1 234.347 2.305 20 0 BEADMN CCCCC1(N[C@@H](C)c2nccc(N)n2)CC1 ZINC000934203345 711575369 /nfs/dbraw/zinc/57/53/69/711575369.db2.gz RCUSBYBFYLMWRW-JTQLQIEISA-N 0 1 234.347 2.432 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000924407252 711577007 /nfs/dbraw/zinc/57/70/07/711577007.db2.gz HOPLFDDTFPLPAF-QPUJVOFHSA-N 0 1 235.287 2.074 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721537775 711619933 /nfs/dbraw/zinc/61/99/33/711619933.db2.gz COSWIORDIXLMHW-JTQLQIEISA-N 0 1 234.299 2.154 20 0 BEADMN CC1(C)CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721547887 711622492 /nfs/dbraw/zinc/62/24/92/711622492.db2.gz NFALQZNTHVCHOX-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721549124 711622687 /nfs/dbraw/zinc/62/26/87/711622687.db2.gz ZCPSEOHYMDPFIP-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cncc(C(=O)[O-])c2)C(C)(C)C1 ZINC000721576245 711651324 /nfs/dbraw/zinc/65/13/24/711651324.db2.gz CMHNWHFPSZAEBB-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN Cc1ccncc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000135554661 711654298 /nfs/dbraw/zinc/65/42/98/711654298.db2.gz PNQBGIHLMRGUDU-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1ccc(CNC(=O)C(F)(F)C(F)F)o1 ZINC000235766194 711668181 /nfs/dbraw/zinc/66/81/81/711668181.db2.gz IJFMBKWBWWUZJL-UHFFFAOYSA-N 0 1 239.168 2.105 20 0 BEADMN CCO[C@@H]1CCC[C@@H](NCC(F)F)C1 ZINC000721264105 711689539 /nfs/dbraw/zinc/68/95/39/711689539.db2.gz XJMNRAVVLSSWAA-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1ncc(C)s1 ZINC000394724764 711689895 /nfs/dbraw/zinc/68/98/95/711689895.db2.gz IGFSUMLYMVLRGQ-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC1CCC1 ZINC000925520708 711696287 /nfs/dbraw/zinc/69/62/87/711696287.db2.gz XUYXKJZYEWYNKY-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN CCCN(CCC)CC(=O)OCC(C)C ZINC000181432696 711698087 /nfs/dbraw/zinc/69/80/87/711698087.db2.gz PKJUXJVKKYSBHQ-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CC(C)COC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000181433676 711698094 /nfs/dbraw/zinc/69/80/94/711698094.db2.gz UTFKERSUIMTNAG-NSHDSACASA-N 0 1 239.359 2.449 20 0 BEADMN CC(C)C[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000037108850 711727849 /nfs/dbraw/zinc/72/78/49/711727849.db2.gz WSTBVEBMWUBKOI-UHFFFAOYSA-N 0 1 221.300 2.473 20 0 BEADMN Cc1[nH]nc(CN2CCc3ncsc3C2)c1C ZINC000894532251 711771639 /nfs/dbraw/zinc/77/16/39/711771639.db2.gz CPCOSJXMRIEKKD-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(Cl)n1 ZINC000307150286 711773760 /nfs/dbraw/zinc/77/37/60/711773760.db2.gz TZXODAQTNSYAPP-PHIMTYICSA-N 0 1 222.719 2.495 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000909421208 711774797 /nfs/dbraw/zinc/77/47/97/711774797.db2.gz AVNSABHZEHWSPI-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC[C@H](c1ccccc1)N1CC(N(C)C(C)=O)C1 ZINC001042390132 711818074 /nfs/dbraw/zinc/81/80/74/711818074.db2.gz PDMASUXEROITFM-OAHLLOKOSA-N 0 1 246.354 2.300 20 0 BEADMN CCSCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000129882372 711833966 /nfs/dbraw/zinc/83/39/66/711833966.db2.gz KSKALIWZMWAUIE-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CC1=CCC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000382493015 711841295 /nfs/dbraw/zinc/84/12/95/711841295.db2.gz GSPFHXUBXYYGNV-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001032343269 711913629 /nfs/dbraw/zinc/91/36/29/711913629.db2.gz LUAKZVDJAILGIT-QZYAKGMDSA-N 0 1 248.370 2.204 20 0 BEADMN CC[C@@H]1C[C@H]1COC(=O)[C@H](C(C)C)N(C)C ZINC000922664942 711975453 /nfs/dbraw/zinc/97/54/53/711975453.db2.gz UEAXOPKOKWCORF-WOPDTQHZSA-N 0 1 227.348 2.162 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701442207 712023234 /nfs/dbraw/zinc/02/32/34/712023234.db2.gz BKJSTZXEPYFOKD-AAEUAGOBSA-N 0 1 223.316 2.139 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701451523 712023247 /nfs/dbraw/zinc/02/32/47/712023247.db2.gz HPXFFHWBRDNWTC-DMDPSCGWSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701451525 712023623 /nfs/dbraw/zinc/02/36/23/712023623.db2.gz HPXFFHWBRDNWTC-GVXVVHGQSA-N 0 1 225.332 2.219 20 0 BEADMN O[C@H](CN1CCC[C@H](F)C1)c1ccccc1 ZINC000701767039 712028744 /nfs/dbraw/zinc/02/87/44/712028744.db2.gz JSXHSEDAUVKOMC-QWHCGFSZSA-N 0 1 223.291 2.154 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCCC3(CC3)C2)c1 ZINC000702588137 712055869 /nfs/dbraw/zinc/05/58/69/712055869.db2.gz QSBUXGPFSQXSIB-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN CCc1nnc(CNCCc2ccco2)s1 ZINC000702675423 712059516 /nfs/dbraw/zinc/05/95/16/712059516.db2.gz DASSSJZUJGJEFJ-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN CCc1nnc(CN[C@@H]2CC=CCC2)s1 ZINC000702708327 712059974 /nfs/dbraw/zinc/05/99/74/712059974.db2.gz VROKQYXVTRESHE-SECBINFHSA-N 0 1 223.345 2.299 20 0 BEADMN C[C@@H](c1cccs1)N(C)Cc1ccc(N)nn1 ZINC000703920966 712094533 /nfs/dbraw/zinc/09/45/33/712094533.db2.gz UOIOCFLUWSVJOA-VIFPVBQESA-N 0 1 248.355 2.313 20 0 BEADMN Cc1cnccc1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000705301570 712127616 /nfs/dbraw/zinc/12/76/16/712127616.db2.gz BHLBBPUMZXQIRH-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Cn1nc(CNC2(C3CC3)CC2)cc1Cl ZINC000706167080 712141577 /nfs/dbraw/zinc/14/15/77/712141577.db2.gz RYVJMQCBXXQATI-UHFFFAOYSA-N 0 1 225.723 2.106 20 0 BEADMN COCC1(N(C)Cc2ccnc(Cl)c2)CC1 ZINC000707147975 712166255 /nfs/dbraw/zinc/16/62/55/712166255.db2.gz RYTMLCPTVTZRMC-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000707280020 712167045 /nfs/dbraw/zinc/16/70/45/712167045.db2.gz WUCHXKRXQPIPQU-CDCCAWJDSA-N 0 1 243.372 2.235 20 0 BEADMN COC(=O)CCCCN1CCC=C(Cl)C1 ZINC000707532362 712171929 /nfs/dbraw/zinc/17/19/29/712171929.db2.gz ORUHABCCJXKNLG-UHFFFAOYSA-N 0 1 231.723 2.158 20 0 BEADMN CC[N@@H+](CCSC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000707900944 712173458 /nfs/dbraw/zinc/17/34/58/712173458.db2.gz ITWOBHAQEVXSTB-ZCFIWIBFSA-N 0 1 245.266 2.034 20 0 BEADMN OCCN(Cc1cnc(Cl)s1)CC1CC1 ZINC000708473794 712180853 /nfs/dbraw/zinc/18/08/53/712180853.db2.gz MKEQCYFAOKCPFP-UHFFFAOYSA-N 0 1 246.763 2.001 20 0 BEADMN C[C@@H](O)[C@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000708398740 712192830 /nfs/dbraw/zinc/19/28/30/712192830.db2.gz ZWKHZWBZGKOKCH-BDAKNGLRSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@@]1(C(F)(F)F)CC[N@@H+](CCCC(=O)[O-])C1 ZINC000709063303 712206900 /nfs/dbraw/zinc/20/69/00/712206900.db2.gz QZKBIVUKZQRERH-SECBINFHSA-N 0 1 239.237 2.126 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)CC(C)(C)C ZINC000709098221 712208866 /nfs/dbraw/zinc/20/88/66/712208866.db2.gz PILFFXPQBRQNRM-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H]1C[C@H](NCCc2ccns2)c2nccn21 ZINC000709897574 712231274 /nfs/dbraw/zinc/23/12/74/712231274.db2.gz WVVBFZOBRWJSMW-ONGXEEELSA-N 0 1 248.355 2.178 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CCC2(CC2)CC1 ZINC000709950885 712234301 /nfs/dbraw/zinc/23/43/01/712234301.db2.gz FJZSTRXPKZCUAF-LLVKDONJSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H](N[C@H]1CCC(F)(F)C1)c1cn(C)cn1 ZINC000709986064 712237575 /nfs/dbraw/zinc/23/75/75/712237575.db2.gz CFRUFQFGMVAQFY-BDAKNGLRSA-N 0 1 229.274 2.259 20 0 BEADMN CC(C)SCCN[C@H](C)c1cn(C)cn1 ZINC000710042961 712242729 /nfs/dbraw/zinc/24/27/29/712242729.db2.gz NDGLHCVBBGKVQN-SNVBAGLBSA-N 0 1 227.377 2.212 20 0 BEADMN CCC(CC)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710240584 712249045 /nfs/dbraw/zinc/24/90/45/712249045.db2.gz BUHXSOQWTDCVLH-ZWNOBZJWSA-N 0 1 227.348 2.465 20 0 BEADMN CN[C@@H](C)c1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000711136519 712286592 /nfs/dbraw/zinc/28/65/92/712286592.db2.gz JQUVFHFUHMBUGF-UWVGGRQHSA-N 0 1 224.352 2.241 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC000711406815 712298516 /nfs/dbraw/zinc/29/85/16/712298516.db2.gz JXUKIQUBOPZEAN-MRVPVSSYSA-N 0 1 225.313 2.288 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](CF)C2)o1 ZINC000711450190 712301878 /nfs/dbraw/zinc/30/18/78/712301878.db2.gz AJMSRMNKBVEKAL-VIFPVBQESA-N 0 1 241.262 2.159 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCC[C@@H](CF)C1 ZINC000711456501 712304805 /nfs/dbraw/zinc/30/48/05/712304805.db2.gz SUXMWUXAUHSPSJ-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CC[C@H](CF)C1 ZINC000711476250 712305229 /nfs/dbraw/zinc/30/52/29/712305229.db2.gz MOXIZDKKVYKKOV-SECBINFHSA-N 0 1 245.729 2.173 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1cnccn1 ZINC000711484530 712306242 /nfs/dbraw/zinc/30/62/42/712306242.db2.gz KUQNOSXKSRFLAL-VXGBXAGGSA-N 0 1 247.342 2.229 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1cnccn1 ZINC000711484526 712306257 /nfs/dbraw/zinc/30/62/57/712306257.db2.gz KUQNOSXKSRFLAL-NWDGAFQWSA-N 0 1 247.342 2.229 20 0 BEADMN c1cn2c(n1)[C@@H](NC[C@H]1CCC3(CCC3)O1)CC2 ZINC000711514624 712307824 /nfs/dbraw/zinc/30/78/24/712307824.db2.gz DCRMPKRMIMQQGS-NEPJUHHUSA-N 0 1 247.342 2.019 20 0 BEADMN CCc1nnc(CNC[C@@H]2C=CCC2)s1 ZINC000711660335 712314825 /nfs/dbraw/zinc/31/48/25/712314825.db2.gz IRNGGERAUVATME-SECBINFHSA-N 0 1 223.345 2.156 20 0 BEADMN CC1(C)SC[C@H]1NCc1nccn1C1CC1 ZINC000711764924 712327459 /nfs/dbraw/zinc/32/74/59/712327459.db2.gz MVIQLCDNTGOGLG-SNVBAGLBSA-N 0 1 237.372 2.202 20 0 BEADMN c1cn(C2CC2)c(CNC[C@@H]2CCC=CO2)n1 ZINC000711782851 712329559 /nfs/dbraw/zinc/32/95/59/712329559.db2.gz HQILJGJCUUUOHI-LBPRGKRZSA-N 0 1 233.315 2.000 20 0 BEADMN CSC[C@H](C)NCc1nccn1C1CC1 ZINC000711802318 712332113 /nfs/dbraw/zinc/33/21/13/712332113.db2.gz IGIOBSJFRPZPGU-VIFPVBQESA-N 0 1 225.361 2.059 20 0 BEADMN c1csc(CCNCc2nccn2C2CC2)n1 ZINC000711819327 712333380 /nfs/dbraw/zinc/33/33/80/712333380.db2.gz ZPTWWHBPZHVRRO-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN CC(C)[C@@H](N)c1noc(C[C@@H]2C[C@H]2C2CC2)n1 ZINC000712085135 712340522 /nfs/dbraw/zinc/34/05/22/712340522.db2.gz YAHVITGDNADLEV-JBLDHEPKSA-N 0 1 235.331 2.314 20 0 BEADMN C[C@@H](Cc1ccco1)N[C@@H]1CCn2ccnc21 ZINC000379034204 712367934 /nfs/dbraw/zinc/36/79/34/712367934.db2.gz YOWAFFKQKLRGSE-CMPLNLGQSA-N 0 1 231.299 2.142 20 0 BEADMN c1snnc1CNc1ccc2c(n1)CCCC2 ZINC000712302349 712395564 /nfs/dbraw/zinc/39/55/64/712395564.db2.gz SJHRYXIPCMKMHH-UHFFFAOYSA-N 0 1 246.339 2.424 20 0 BEADMN CCc1cc(CNc2ncnc(CC)c2F)n[nH]1 ZINC000767236428 712413414 /nfs/dbraw/zinc/41/34/14/712413414.db2.gz PJGJFEQSTJVRKB-UHFFFAOYSA-N 0 1 249.293 2.076 20 0 BEADMN C[C@@H](OC(=O)c1ccc2cncn2c1)C1CC1 ZINC000790904071 712421778 /nfs/dbraw/zinc/42/17/78/712421778.db2.gz AXJPEQTVYAZBHC-SECBINFHSA-N 0 1 230.267 2.290 20 0 BEADMN OCC1(NCc2scnc2Cl)CCCC1 ZINC000713448006 712460883 /nfs/dbraw/zinc/46/08/83/712460883.db2.gz WVBGJWBOFFRVSI-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1scnc1Cl ZINC000713498103 712463069 /nfs/dbraw/zinc/46/30/69/712463069.db2.gz ZELUWCDOYITPEM-XCBNKYQSSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C/CCNCc1ccoc1C(=O)OC ZINC000713496113 712463076 /nfs/dbraw/zinc/46/30/76/712463076.db2.gz NXLMHQQYBPBGPN-SNAWJCMRSA-N 0 1 235.283 2.288 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000713710626 712469920 /nfs/dbraw/zinc/46/99/20/712469920.db2.gz ACTYRPBVYFSFSC-MUBLQREKSA-N 0 1 223.316 2.305 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC000714336212 712482848 /nfs/dbraw/zinc/48/28/48/712482848.db2.gz BNRSTPIAPOHVIQ-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CCCn1cc(CNCCC=C(C)C)nn1 ZINC000714485380 712491816 /nfs/dbraw/zinc/49/18/16/712491816.db2.gz CEWGOKMKTGANAA-UHFFFAOYSA-N 0 1 222.336 2.134 20 0 BEADMN CCCn1cc(CN[C@]23C[C@H]2CCCC3)nn1 ZINC000714509623 712492728 /nfs/dbraw/zinc/49/27/28/712492728.db2.gz UTERJDXWIWCYCG-DGCLKSJQSA-N 0 1 234.347 2.110 20 0 BEADMN COC(=O)[C@@H]1CCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000714806637 712498378 /nfs/dbraw/zinc/49/83/78/712498378.db2.gz CSGSSHSPXSPDKD-AGIUHOORSA-N 0 1 237.343 2.060 20 0 BEADMN Cc1cnc(CNCC[C@H]2CCCS2)o1 ZINC000715802867 712533730 /nfs/dbraw/zinc/53/37/30/712533730.db2.gz UNTIDTTYABATAG-SNVBAGLBSA-N 0 1 226.345 2.358 20 0 BEADMN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cn(C)nn1 ZINC000715833200 712534243 /nfs/dbraw/zinc/53/42/43/712534243.db2.gz BKHBIAPSIXEYGO-BDAKNGLRSA-N 0 1 244.289 2.044 20 0 BEADMN CCCn1cc([C@H](C)NCCC(C)(F)F)nn1 ZINC000715859143 712537363 /nfs/dbraw/zinc/53/73/63/712537363.db2.gz ICMATMCQXIHWQK-VIFPVBQESA-N 0 1 246.305 2.384 20 0 BEADMN CCCn1cc([C@H](C)NCCc2ccco2)nn1 ZINC000715875643 712538800 /nfs/dbraw/zinc/53/88/00/712538800.db2.gz GGRVKBDUAQQMTQ-NSHDSACASA-N 0 1 248.330 2.174 20 0 BEADMN C[C@H](NCc1cccn1C)c1ccns1 ZINC000715956479 712545822 /nfs/dbraw/zinc/54/58/22/712545822.db2.gz WTIKDAUZUHVVLW-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccco1)c1ccns1 ZINC000715993730 712551228 /nfs/dbraw/zinc/55/12/28/712551228.db2.gz WKTAXTXSAIKSQX-RKDXNWHRSA-N 0 1 238.312 2.120 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n[nH]1 ZINC000716169759 712552864 /nfs/dbraw/zinc/55/28/64/712552864.db2.gz ASSJDXCUSKMAFO-GHMZBOCLSA-N 0 1 235.331 2.017 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2ccccc2)n[nH]1 ZINC000716238079 712553316 /nfs/dbraw/zinc/55/33/16/712553316.db2.gz OZWFIPCZQYOAIA-BQYQJAHWSA-N 0 1 241.294 2.048 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000716453127 712561964 /nfs/dbraw/zinc/56/19/64/712561964.db2.gz UAOAMKKWXNPCDA-ILAIQSSSSA-N 0 1 235.331 2.485 20 0 BEADMN CC(C)n1ncnc1CNC[C@H]1C[C@H]1[C@H]1C[C@H]1C ZINC000716634177 712568308 /nfs/dbraw/zinc/56/83/08/712568308.db2.gz FRYMIVKXILBUDB-FVCCEPFGSA-N 0 1 248.374 2.241 20 0 BEADMN Cc1n[nH]c(CNCc2ccccc2)c1C ZINC000716674444 712569533 /nfs/dbraw/zinc/56/95/33/712569533.db2.gz CELFKMQNVWYCHT-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN Cn1cnc(CNc2cc3c(cn2)CCCC3)c1 ZINC000812861133 712586902 /nfs/dbraw/zinc/58/69/02/712586902.db2.gz HYPOTQGFBIERHH-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN FC(F)CN1CCN(CCCC2CC2)CC1 ZINC000813335197 712587736 /nfs/dbraw/zinc/58/77/36/712587736.db2.gz NQCOBDCLQGTHRH-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN N#Cc1ccc(F)c(CNCC2=CCCOC2)c1 ZINC000379868078 712619245 /nfs/dbraw/zinc/61/92/45/712619245.db2.gz NXNYCXSQGZJYMR-UHFFFAOYSA-N 0 1 246.285 2.134 20 0 BEADMN CC(C)(C)c1noc(-c2cccc3[nH]nnc32)n1 ZINC000863951375 712620020 /nfs/dbraw/zinc/62/00/20/712620020.db2.gz RHUDIGBYZNJSOO-UHFFFAOYSA-N 0 1 243.270 2.305 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@H]2CCC=CO2)c2nccn21 ZINC000380008669 712669731 /nfs/dbraw/zinc/66/97/31/712669731.db2.gz FVHYYTXHDYSRMR-IJLUTSLNSA-N 0 1 233.315 2.171 20 0 BEADMN Cc1nnc(CNC2(C3CC3)CCC2)s1 ZINC000717820037 712681342 /nfs/dbraw/zinc/68/13/42/712681342.db2.gz PPXCRSFQSYRRQH-UHFFFAOYSA-N 0 1 223.345 2.269 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000384838616 712701357 /nfs/dbraw/zinc/70/13/57/712701357.db2.gz HSIAPHXKOPXNIE-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccco1 ZINC000080992160 712728719 /nfs/dbraw/zinc/72/87/19/712728719.db2.gz GHFUDOWZFKMMKO-LLVKDONJSA-N 0 1 223.272 2.109 20 0 BEADMN Fc1cc(Cl)ccc1CN[C@]12C[C@H]1COC2 ZINC000718094660 712742136 /nfs/dbraw/zinc/74/21/36/712742136.db2.gz VQDWPRWNVOOFQX-CABZTGNLSA-N 0 1 241.693 2.358 20 0 BEADMN Fc1ccc(Cl)cc1CN[C@]12C[C@H]1COC2 ZINC000718094186 712742390 /nfs/dbraw/zinc/74/23/90/712742390.db2.gz ROXMUSUZECHJSG-CABZTGNLSA-N 0 1 241.693 2.358 20 0 BEADMN CCc1nc(NC2CC(CC(=O)[O-])C2)cc(C)[nH+]1 ZINC000718129795 712746546 /nfs/dbraw/zinc/74/65/46/712746546.db2.gz RKNDUWLFQHCOCG-UHFFFAOYSA-N 0 1 249.314 2.013 20 0 BEADMN CC[C@H]1C[C@@H](NCc2cnc(Cl)s2)CO1 ZINC000718185792 712752340 /nfs/dbraw/zinc/75/23/40/712752340.db2.gz HNAFSXBLOMXTGP-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCC(C)(F)F)C1CC1 ZINC000718629081 712773961 /nfs/dbraw/zinc/77/39/61/712773961.db2.gz HUYCTRBCUQHTBP-MRVPVSSYSA-N 0 1 235.274 2.359 20 0 BEADMN C[C@H]1C[N@@H+](CCCC(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC000718629888 712774018 /nfs/dbraw/zinc/77/40/18/712774018.db2.gz LZZPBVLJWLLLKV-UWVGGRQHSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccco1)c1ccccn1 ZINC000037862899 712775991 /nfs/dbraw/zinc/77/59/91/712775991.db2.gz PKKIBGAFLINSPK-PWSUYJOCSA-N 0 1 232.283 2.059 20 0 BEADMN O[C@@H](CNCc1ccco1)c1cccc(F)c1 ZINC000037882837 712779631 /nfs/dbraw/zinc/77/96/31/712779631.db2.gz IPRYNCHMDIWYAY-ZDUSSCGKSA-N 0 1 235.258 2.242 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCC=CCCC1 ZINC000719029744 712794256 /nfs/dbraw/zinc/79/42/56/712794256.db2.gz KEQOVLCJGFJAGW-LBPRGKRZSA-N 0 1 247.342 2.471 20 0 BEADMN Cc1conc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000720362816 712835533 /nfs/dbraw/zinc/83/55/33/712835533.db2.gz PCYGEANIAWDYFU-RAIGVLPGSA-N 0 1 248.326 2.030 20 0 BEADMN c1cc(CNCC[C@@H]2CCCS2)no1 ZINC000720403542 712839746 /nfs/dbraw/zinc/83/97/46/712839746.db2.gz CMSAFSCTUUXQQG-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H](C)[C@H]2CCCO2)n1 ZINC000720612267 712859038 /nfs/dbraw/zinc/85/90/38/712859038.db2.gz ANCXMARMJYCRND-BBBLOLIVSA-N 0 1 239.319 2.008 20 0 BEADMN C[C@@H](CF)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000720753559 712863565 /nfs/dbraw/zinc/86/35/65/712863565.db2.gz CUFFDZSEMSVCFX-UWVGGRQHSA-N 0 1 223.291 2.458 20 0 BEADMN Cc1ncc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC000720797450 712866462 /nfs/dbraw/zinc/86/64/62/712866462.db2.gz CGMQSMNHIXDSHL-MDZLAQPJSA-N 0 1 236.315 2.030 20 0 BEADMN CCO[C@@H]1CCC[C@H](NCc2ccon2)C1 ZINC000721167668 712894308 /nfs/dbraw/zinc/89/43/08/712894308.db2.gz MJUMTOUJDZPHCS-CMPLNLGQSA-N 0 1 224.304 2.112 20 0 BEADMN COc1ccnc(NCc2cnc(C)s2)c1 ZINC000089805558 957082879 /nfs/dbraw/zinc/08/28/79/957082879.db2.gz KJUKRNXHLFKBMG-UHFFFAOYSA-N 0 1 235.312 2.467 20 0 BEADMN C[C@@H]1C[C@@H](CN2CCC(=O)C[C@H]2C)C[C@H](C)O1 ZINC000724481254 957191566 /nfs/dbraw/zinc/19/15/66/957191566.db2.gz TVJIQDKSLYMUTC-FVCCEPFGSA-N 0 1 239.359 2.243 20 0 BEADMN CC(C)c1ccnc(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC001164638784 719220201 /nfs/dbraw/zinc/22/02/01/719220201.db2.gz PEAUMQDVZRSYEW-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN COc1cc(Cl)nc(N=C2CCOC2)c1 ZINC001203387066 957413889 /nfs/dbraw/zinc/41/38/89/957413889.db2.gz USDUOSBCCGBFRE-UHFFFAOYSA-N 0 1 226.663 2.070 20 0 BEADMN C[C@@]1(F)CCCN(Cc2ccon2)CC1 ZINC001209561212 957505871 /nfs/dbraw/zinc/50/58/71/957505871.db2.gz PNYCFNBIQDDWJE-LLVKDONJSA-N 0 1 212.268 2.389 20 0 BEADMN C[C@@H]1CCC[C@@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000070835375 957699382 /nfs/dbraw/zinc/69/93/82/957699382.db2.gz GIIGRCCGQMFLOO-SCZZXKLOSA-N 0 1 220.272 2.380 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)C1CCCCC1 ZINC000082604361 957798136 /nfs/dbraw/zinc/79/81/36/957798136.db2.gz ZYCBOWKCYPIOAH-CSKARUKUSA-N 0 1 211.305 2.282 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000086270120 957967417 /nfs/dbraw/zinc/96/74/17/957967417.db2.gz GTOLSLVGJYJFKD-GXSJLCMTSA-N 0 1 213.321 2.218 20 0 BEADMN Cn1cc(Cl)c(CNCCC2CCC2)n1 ZINC000398708103 958371859 /nfs/dbraw/zinc/37/18/59/958371859.db2.gz WCUJOQQEZAVARQ-UHFFFAOYSA-N 0 1 227.739 2.353 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC(F)(F)F ZINC000123733619 958506426 /nfs/dbraw/zinc/50/64/26/958506426.db2.gz NYUJBBIIQSXEPF-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CC(C)OC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000708827972 959857444 /nfs/dbraw/zinc/85/74/44/959857444.db2.gz VWXMISISUSVADF-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN CCCC[C@@H](CC)Oc1n[nH]c2c1CNCC2 ZINC001218222439 959901947 /nfs/dbraw/zinc/90/19/47/959901947.db2.gz CUIOKTLLHWYMDA-SNVBAGLBSA-N 0 1 237.347 2.403 20 0 BEADMN CCC(CC)C(=O)NC1CN(CCC(C)C)C1 ZINC001267636392 960152465 /nfs/dbraw/zinc/15/24/65/960152465.db2.gz CMQPQVHEIREFFM-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CCCN(C)Cc1cnc(SC)nc1NC ZINC001140835755 960623018 /nfs/dbraw/zinc/62/30/18/960623018.db2.gz FADGHLHHOGUDHU-UHFFFAOYSA-N 0 1 240.376 2.082 20 0 BEADMN C[C@]1(CF)CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC001140944101 960733124 /nfs/dbraw/zinc/73/31/24/960733124.db2.gz QDWRKGGKRIMTEA-GFCCVEGCSA-N 0 1 241.262 2.159 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)cs1 ZINC000687260476 961239351 /nfs/dbraw/zinc/23/93/51/961239351.db2.gz LEAVXAZAOHPFIU-OCAPTIKFSA-N 0 1 243.763 2.079 20 0 BEADMN CCCOCCNc1cccn2cncc12 ZINC001167874946 961406123 /nfs/dbraw/zinc/40/61/23/961406123.db2.gz JUUUEGNYCFYVQM-UHFFFAOYSA-N 0 1 219.288 2.173 20 0 BEADMN CC(C)CCCN1CC(NC(=O)CC2CC2)C1 ZINC001268239694 961469462 /nfs/dbraw/zinc/46/94/62/961469462.db2.gz QWNVVVOHIPAETQ-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CC[C@@H](CC)C1 ZINC000092899256 961945711 /nfs/dbraw/zinc/94/57/11/961945711.db2.gz UIJVUECSNZUHTL-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000301001805 963049051 /nfs/dbraw/zinc/04/90/51/963049051.db2.gz XEYQOSMWVMKBGS-JTQLQIEISA-N 0 1 215.337 2.464 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569938 963151539 /nfs/dbraw/zinc/15/15/39/963151539.db2.gz HUEJGHOJGUIRBB-IUCAKERBSA-N 0 1 241.287 2.006 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1C[C@H](C)CC1(C)C ZINC000307387199 963215448 /nfs/dbraw/zinc/21/54/48/963215448.db2.gz MHXYAKPJFYJESC-NAZIUFLLSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H]1C[N@@H+](CCCC(=O)[O-])CC(C)(C)C1 ZINC000308843109 963309266 /nfs/dbraw/zinc/30/92/66/963309266.db2.gz KVYYBFGLGJYLNY-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])CC(C)(C)C1 ZINC000308843107 963309572 /nfs/dbraw/zinc/30/95/72/963309572.db2.gz KVYYBFGLGJYLNY-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CC1(C)C[N@@H+](CCCCC(=O)[O-])C1(C)C ZINC000309418404 963347633 /nfs/dbraw/zinc/34/76/33/963347633.db2.gz ZFEHJQXYZINVTP-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)CC[C@@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000309456470 963350137 /nfs/dbraw/zinc/35/01/37/963350137.db2.gz SNQBAERTCHNBSH-VIFPVBQESA-N 0 1 220.272 2.380 20 0 BEADMN Oc1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000895563204 963435244 /nfs/dbraw/zinc/43/52/44/963435244.db2.gz WXQANZXBAIAYGX-AOOOYVTPSA-N 0 1 223.703 2.497 20 0 BEADMN Cc1ncn(-c2cc(C)c(O)c(C)c2)c1N ZINC001211909024 963840515 /nfs/dbraw/zinc/84/05/15/963840515.db2.gz RYUWMUKVZBBLGF-UHFFFAOYSA-N 0 1 217.272 2.085 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H](C)CC(C)C)n1 ZINC001228917229 963908168 /nfs/dbraw/zinc/90/81/68/963908168.db2.gz BNPKIMRLRRDDNB-MRVPVSSYSA-N 0 1 226.276 2.004 20 0 BEADMN Cc1csc(NC(=O)CN(C)C(C)C)c1 ZINC001142583153 964639672 /nfs/dbraw/zinc/63/96/72/964639672.db2.gz ZULMCQDCBSJNPS-UHFFFAOYSA-N 0 1 226.345 2.335 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2C=CCC2)c2nccn21 ZINC000698194279 965094437 /nfs/dbraw/zinc/09/44/37/965094437.db2.gz FCJASFZOQCNKGJ-VWYCJHECSA-N 0 1 203.289 2.197 20 0 BEADMN CCOc1ccnc(N(C)CC(F)(F)F)c1 ZINC001163709575 965527641 /nfs/dbraw/zinc/52/76/41/965527641.db2.gz GCRLTOLLVGQUCG-UHFFFAOYSA-N 0 1 234.221 2.479 20 0 BEADMN CCCCN(CC(=O)OCC)CC1CC1 ZINC000065298218 1165756189 /nfs/dbraw/zinc/75/61/89/1165756189.db2.gz VPMABLCANLVGQC-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN C[NH+](C)Cc1cc(Cl)c([O-])cc1F ZINC001238141867 966725466 /nfs/dbraw/zinc/72/54/66/966725466.db2.gz ABFGKZMTUVQXLL-UHFFFAOYSA-N 0 1 203.644 2.246 20 0 BEADMN CCc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)o1 ZINC001204394473 966985418 /nfs/dbraw/zinc/98/54/18/966985418.db2.gz FKTBTBMTKXLSBY-GXFFZTMASA-N 0 1 221.300 2.063 20 0 BEADMN CCc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)o1 ZINC001204394473 966985432 /nfs/dbraw/zinc/98/54/32/966985432.db2.gz FKTBTBMTKXLSBY-GXFFZTMASA-N 0 1 221.300 2.063 20 0 BEADMN CCOC(=O)CCc1c(F)cc(F)c(O)c1F ZINC001249962073 967203871 /nfs/dbraw/zinc/20/38/71/967203871.db2.gz QHZBANXBDDZBFO-UHFFFAOYSA-N 0 1 248.200 2.305 20 0 BEADMN CC(C)OC(=O)Cc1c(F)cc(F)c(O)c1F ZINC001250085788 967348791 /nfs/dbraw/zinc/34/87/91/967348791.db2.gz CSKQNUZEYFCDGG-UHFFFAOYSA-N 0 1 248.200 2.304 20 0 BEADMN Cc1cc(N(C)C)ncc1C[C@@H]1CCCO1 ZINC001250105023 967383320 /nfs/dbraw/zinc/38/33/20/967383320.db2.gz WTUWTWOXCSWSON-LBPRGKRZSA-N 0 1 220.316 2.178 20 0 BEADMN CCN(Cc1ccc(F)c(C)c1)C1CN(C)C1 ZINC001205199102 967425779 /nfs/dbraw/zinc/42/57/79/967425779.db2.gz WGJAQIBWDMBOFJ-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1cn[nH]c1 ZINC001240242618 967466227 /nfs/dbraw/zinc/46/62/27/967466227.db2.gz FCVUOSKBDKURHV-UHFFFAOYSA-N 0 1 202.192 2.092 20 0 BEADMN Cc1cc(N)ncc1CCC(=O)OC(C)(C)C ZINC001250329938 967717964 /nfs/dbraw/zinc/71/79/64/967717964.db2.gz ZKSZGKAXGCCIBD-UHFFFAOYSA-N 0 1 236.315 2.247 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2cnoc2)CC1 ZINC001205670011 967758396 /nfs/dbraw/zinc/75/83/96/967758396.db2.gz GMJBBCAPLVGFGL-NSHDSACASA-N 0 1 212.268 2.389 20 0 BEADMN O[C@H](CNCc1cscn1)C1CCCCC1 ZINC000069170488 1165901332 /nfs/dbraw/zinc/90/13/32/1165901332.db2.gz QHHAXARBNGXWRX-GFCCVEGCSA-N 0 1 240.372 2.174 20 0 BEADMN CCCCCC(=O)NC1CN(CCC2CC2)C1 ZINC001494341604 968006553 /nfs/dbraw/zinc/00/65/53/968006553.db2.gz SIJZDZHCTGHFST-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cccc2nc(C3(C)COC3)[nH]c21 ZINC001250558926 968066455 /nfs/dbraw/zinc/06/64/55/968066455.db2.gz KMTKUBJSALHLHS-UHFFFAOYSA-N 0 1 202.257 2.159 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000383009550 968105152 /nfs/dbraw/zinc/10/51/52/968105152.db2.gz DMHWCDWUQQKSJY-VIFPVBQESA-N 0 1 247.285 2.218 20 0 BEADMN CCCC1CCN(Cc2ccnn2C)CC1 ZINC001206342995 968248511 /nfs/dbraw/zinc/24/85/11/968248511.db2.gz SBNOSFWSXRQJOJ-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN Fc1cnccc1CN1C[C@H]2CC[C@@H]1C2 ZINC001206789368 968472317 /nfs/dbraw/zinc/47/23/17/968472317.db2.gz PENUYDOBJDPUPB-GXSJLCMTSA-N 0 1 206.264 2.205 20 0 BEADMN C[C@@H]1CN(Cc2c(N)cccc2F)CCCO1 ZINC000109427859 1166013314 /nfs/dbraw/zinc/01/33/14/1166013314.db2.gz HXYYIBDWUXRUJD-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN CN(Cc1ccsc1)Cc1ccc[nH]c1=O ZINC001207005381 968540117 /nfs/dbraw/zinc/54/01/17/968540117.db2.gz KQPDXFRSOMYCIL-UHFFFAOYSA-N 0 1 234.324 2.481 20 0 BEADMN c1snnc1CN[C@H]1CCCC12CCC2 ZINC000398322612 1166019233 /nfs/dbraw/zinc/01/92/33/1166019233.db2.gz XAJADBDOORLFDL-JTQLQIEISA-N 0 1 223.345 2.351 20 0 BEADMN CCCN(CCOC)Cc1cncc(F)c1 ZINC001207016998 968553449 /nfs/dbraw/zinc/55/34/49/968553449.db2.gz MQZNEMGSPNUZRG-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN Fc1ccc(CN2CCCC23CC3)nc1 ZINC001207037409 968571206 /nfs/dbraw/zinc/57/12/06/968571206.db2.gz ZUFORVLCSMOIAT-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN Clc1cccc(-c2ncnc3c2CNC3)c1 ZINC000082345145 1166033759 /nfs/dbraw/zinc/03/37/59/1166033759.db2.gz FYTVPJCELIXCIQ-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN CCCC[C@H](O)CN[C@H](C)c1nccs1 ZINC001252112038 968595524 /nfs/dbraw/zinc/59/55/24/968595524.db2.gz HZHAZWMJFYRPKY-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN COc1ccc(F)cc1NCc1cnc[nH]1 ZINC000128200044 1166054405 /nfs/dbraw/zinc/05/44/05/1166054405.db2.gz LFNSXJJVPGBLCC-UHFFFAOYSA-N 0 1 221.235 2.170 20 0 BEADMN COc1ccc2nc(-c3csnn3)[nH]c2c1 ZINC000083591763 1166112157 /nfs/dbraw/zinc/11/21/57/1166112157.db2.gz QULKNZHTDRQJSS-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN CC/C=C(\C)C(=O)N(C)CCCN(C)CCF ZINC001700183641 1166145893 /nfs/dbraw/zinc/14/58/93/1166145893.db2.gz PIIQWZQAEQAAEN-KPKJPENVSA-N 0 1 244.354 2.093 20 0 BEADMN OC[C@H](NCc1nccs1)C1CCCCC1 ZINC000390775146 1166189562 /nfs/dbraw/zinc/18/95/62/1166189562.db2.gz ZVBQVBCWJAYUCR-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H]1[C@H](C)CN(C(=O)[C@H](N)c2ccccc2)[C@H]1C ZINC000399744103 1166252237 /nfs/dbraw/zinc/25/22/37/1166252237.db2.gz ONZIUHUXWDOQPB-NRWUCQMLSA-N 0 1 246.354 2.189 20 0 BEADMN CCCNc1cc(O[C@@H]2CCOC2)ccn1 ZINC000227671787 1166256469 /nfs/dbraw/zinc/25/64/69/1166256469.db2.gz KPXJKNJQKUMIPF-LLVKDONJSA-N 0 1 222.288 2.071 20 0 BEADMN Cc1nnc(-c2c(O)cccc2Cl)o1 ZINC001253463661 969186825 /nfs/dbraw/zinc/18/68/25/969186825.db2.gz ZWFAKMMQNFRZIW-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN CC/C=C\CCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001208724747 969205640 /nfs/dbraw/zinc/20/56/40/969205640.db2.gz CFDURPOASYVZBM-WGPFEIJOSA-N 0 1 233.302 2.087 20 0 BEADMN CC/C=C\CCN1CCC(=O)[C@@H](F)CC1 ZINC001208725593 969213880 /nfs/dbraw/zinc/21/38/80/969213880.db2.gz MOKROTOOOCBZCB-BYCRGOAPSA-N 0 1 213.296 2.346 20 0 BEADMN CCOC(=O)[C@@]12C[C@@H]1CCN2CCCC(C)C ZINC001208734499 969223001 /nfs/dbraw/zinc/22/30/01/969223001.db2.gz JDBLDQAJODIKIN-GXTWGEPZSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1cnc(Cl)c(N=C2CCN(C)CC2)n1 ZINC001208793420 969239748 /nfs/dbraw/zinc/23/97/48/969239748.db2.gz GNXREDKCWXISTQ-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN Cc1cc(N(C)C)nc(NCCC2CCC2)n1 ZINC001168886601 969261475 /nfs/dbraw/zinc/26/14/75/969261475.db2.gz HCOCIBVUBIRLNT-UHFFFAOYSA-N 0 1 234.347 2.453 20 0 BEADMN C[C@]1(F)CCN(C[C@@H]2CCC=CO2)C[C@@H]1F ZINC001208876385 969267295 /nfs/dbraw/zinc/26/72/95/969267295.db2.gz GCTDFRVSLHXITM-SRVKXCTJSA-N 0 1 231.286 2.451 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000228959042 1166304653 /nfs/dbraw/zinc/30/46/53/1166304653.db2.gz MTSGOZIFHTVCME-ZLDLUXBVSA-N 0 1 246.354 2.165 20 0 BEADMN CCC(=O)C(C)(C)C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001208917595 969302354 /nfs/dbraw/zinc/30/23/54/969302354.db2.gz HABCGRVIXFXPDR-NSHDSACASA-N 0 1 239.359 2.293 20 0 BEADMN CCC(=O)C(C)(C)CN1CCC(=O)[C@@H](C)CC1 ZINC001208917595 969302359 /nfs/dbraw/zinc/30/23/59/969302359.db2.gz HABCGRVIXFXPDR-NSHDSACASA-N 0 1 239.359 2.293 20 0 BEADMN CCC(=O)C(C)(C)C[N@H+]1CCCC(=O)CC1 ZINC001208919310 969305539 /nfs/dbraw/zinc/30/55/39/969305539.db2.gz WHPXBQKXCAUGOM-UHFFFAOYSA-N 0 1 225.332 2.047 20 0 BEADMN CCC(=O)C(C)(C)CN1CCCC(=O)CC1 ZINC001208919310 969305549 /nfs/dbraw/zinc/30/55/49/969305549.db2.gz WHPXBQKXCAUGOM-UHFFFAOYSA-N 0 1 225.332 2.047 20 0 BEADMN COCC1CN(CCc2cc(F)cc(F)c2)C1 ZINC001209127431 969354094 /nfs/dbraw/zinc/35/40/94/969354094.db2.gz CEHDZKYERSZYPI-UHFFFAOYSA-N 0 1 241.281 2.086 20 0 BEADMN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)[nH]n1 ZINC001254004155 969446912 /nfs/dbraw/zinc/44/69/12/969446912.db2.gz HCDXRBKDFACKEA-NXEZZACHSA-N 0 1 225.361 2.044 20 0 BEADMN Cc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c[nH]1 ZINC000724780778 1166415646 /nfs/dbraw/zinc/41/56/46/1166415646.db2.gz LSLGLBCOCIBJBW-AOOOYVTPSA-N 0 1 207.321 2.481 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@H]1C[C@@H]1C)C2 ZINC001209422631 969485377 /nfs/dbraw/zinc/48/53/77/969485377.db2.gz XFPWKMDZNXOMGE-GXSJLCMTSA-N 0 1 202.301 2.362 20 0 BEADMN CCOC(=O)CN(C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250711516 1166425563 /nfs/dbraw/zinc/42/55/63/1166425563.db2.gz YMIFPXRGVZFQKZ-GDNZZTSVSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)[NH+](Cc1ncccc1[O-])C(C)C ZINC000308945443 1166437835 /nfs/dbraw/zinc/43/78/35/1166437835.db2.gz WACUCEBTHNNIIS-UHFFFAOYSA-N 0 1 208.305 2.406 20 0 BEADMN Cc1ccnc(NC[C@H](O)C(F)(F)F)c1C ZINC001169457159 969657516 /nfs/dbraw/zinc/65/75/16/969657516.db2.gz NFZNHSLAUPYMKM-QMMMGPOBSA-N 0 1 234.221 2.034 20 0 BEADMN Cc1ccc(CNCc2ccccc2)nn1 ZINC000306941806 1166512965 /nfs/dbraw/zinc/51/29/65/1166512965.db2.gz RJARYLQDFPEWRO-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN Clc1cnc(CNC2CCSCC2)nc1 ZINC001255081557 969874196 /nfs/dbraw/zinc/87/41/96/969874196.db2.gz IDQXKQGPHKKGGJ-UHFFFAOYSA-N 0 1 243.763 2.115 20 0 BEADMN CC(C)Oc1ccnc(NC2CC(=O)C2)c1 ZINC001156615980 969946445 /nfs/dbraw/zinc/94/64/45/969946445.db2.gz ADPCJZKBVNYHPU-UHFFFAOYSA-N 0 1 220.272 2.012 20 0 BEADMN CN(Cc1ccon1)C1CCSCC1 ZINC001255094216 969932132 /nfs/dbraw/zinc/93/21/32/969932132.db2.gz PUUIDYMHMROTEB-UHFFFAOYSA-N 0 1 212.318 2.002 20 0 BEADMN CCCC[C@@H](C)NCc1ncc(F)cn1 ZINC001255309632 970078229 /nfs/dbraw/zinc/07/82/29/970078229.db2.gz IWOMWJBVWOVDAJ-SECBINFHSA-N 0 1 211.284 2.284 20 0 BEADMN CN(C)c1cccc(N2CCC[C@@H]3C[C@@H]32)n1 ZINC001157133737 970099328 /nfs/dbraw/zinc/09/93/28/970099328.db2.gz XTRWRNRKDJVYQM-MNOVXSKESA-N 0 1 217.316 2.136 20 0 BEADMN c1c[nH]c(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000709045004 1166625932 /nfs/dbraw/zinc/62/59/32/1166625932.db2.gz RQIUYSKQXRQOIB-WDEREUQCSA-N 0 1 205.305 2.174 20 0 BEADMN CCOC(=O)[C@@H]1CCC[C@@H](N2CC[C@H](F)C2)C1 ZINC001255356215 970121565 /nfs/dbraw/zinc/12/15/65/970121565.db2.gz GLSIYKPHGMOTTO-GRYCIOLGSA-N 0 1 243.322 2.152 20 0 BEADMN CCN(Cc1cccc(Cl)n1)[C@@H]1CCOC1 ZINC000309278027 1166631235 /nfs/dbraw/zinc/63/12/35/1166631235.db2.gz SNZVBEDNMZKDMO-LLVKDONJSA-N 0 1 240.734 2.346 20 0 BEADMN Oc1ccccc1-c1cccc2[nH]nnc21 ZINC000113076593 1166635628 /nfs/dbraw/zinc/63/56/28/1166635628.db2.gz YHCGGLXPGFJNCO-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN Cn1cncc1Nc1ccc(F)c(O)c1 ZINC001211214779 970175527 /nfs/dbraw/zinc/17/55/27/970175527.db2.gz JSMGXHUPOMUPBT-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN C[C@H]1C[C@@H](NCCC(F)F)c2nccn21 ZINC000379166865 1166666654 /nfs/dbraw/zinc/66/66/54/1166666654.db2.gz NSRXSUQRFCOEKC-JGVFFNPUSA-N 0 1 215.247 2.134 20 0 BEADMN Cc1coc(CN[C@H]2CCOC(C)(C)C2)n1 ZINC001255523885 970286601 /nfs/dbraw/zinc/28/66/01/970286601.db2.gz LDKDSDIONSMCLL-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN COC[C@@H](C)N1CCCC(F)(F)[C@H](F)C1 ZINC001255568656 970351062 /nfs/dbraw/zinc/35/10/62/970351062.db2.gz AMQQGAOZLAKYNY-RKDXNWHRSA-N 0 1 225.254 2.091 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2c(cnn2C)C1 ZINC001255659825 970440069 /nfs/dbraw/zinc/44/00/69/970440069.db2.gz CLVUKKXSVPMXPZ-MRVPVSSYSA-N 0 1 247.264 2.119 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2ncn(C)c2C1 ZINC001255663671 970445628 /nfs/dbraw/zinc/44/56/28/970445628.db2.gz LAEBUEILYJHRGZ-QMMMGPOBSA-N 0 1 247.264 2.119 20 0 BEADMN Cc1ccc(C[C@@H](C)N(C)C2COC2)cc1 ZINC001255793920 970494828 /nfs/dbraw/zinc/49/48/28/970494828.db2.gz POTJUSJZUMQBOE-GFCCVEGCSA-N 0 1 219.328 2.257 20 0 BEADMN Cc1ncn(-c2cc(F)c(O)c(Cl)c2)c1N ZINC001214484887 970507684 /nfs/dbraw/zinc/50/76/84/970507684.db2.gz REPBRDSYFOYGLH-UHFFFAOYSA-N 0 1 241.653 2.261 20 0 BEADMN c1ncc(CO[C@H]2CCCc3cccnc32)[nH]1 ZINC001222999441 1166770902 /nfs/dbraw/zinc/77/09/02/1166770902.db2.gz BOHFUGLSEPCVIE-LBPRGKRZSA-N 0 1 229.283 2.399 20 0 BEADMN OCC1(Nc2cccn3cncc23)CCCC1 ZINC001167805970 1166805769 /nfs/dbraw/zinc/80/57/69/1166805769.db2.gz ACVSFDXVEUVRTH-UHFFFAOYSA-N 0 1 231.299 2.051 20 0 BEADMN C[C@@H](O)CC(C)(C)CNCc1nccs1 ZINC000379913447 1166811892 /nfs/dbraw/zinc/81/18/92/1166811892.db2.gz ADMKFXITNBHXCS-SECBINFHSA-N 0 1 228.361 2.030 20 0 BEADMN N=CNc1cc(O)ccc1Br ZINC001167868255 1166873848 /nfs/dbraw/zinc/87/38/48/1166873848.db2.gz ULMLEBQGALFYFJ-UHFFFAOYSA-N 0 1 215.050 2.174 20 0 BEADMN Cc1c(Cl)ncc(F)c1NCC1CN(C)C1 ZINC001170255132 970667700 /nfs/dbraw/zinc/66/77/00/970667700.db2.gz ZXEATKGOVPRMAY-UHFFFAOYSA-N 0 1 243.713 2.156 20 0 BEADMN Fc1ccc2nc(-c3c[nH]cn3)[nH]c2c1 ZINC000238568554 1166915307 /nfs/dbraw/zinc/91/53/07/1166915307.db2.gz JSPDQLHLUZXRHH-UHFFFAOYSA-N 0 1 202.192 2.092 20 0 BEADMN F[C@H]1CCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173130197 975038177 /nfs/dbraw/zinc/03/81/77/975038177.db2.gz TVZHYATZFGZXTI-DTWKUNHWSA-N 0 1 226.320 2.044 20 0 BEADMN C[C@H]1C[C@@H](N2CCC(F)(F)[C@@H](F)C2)CCO1 ZINC001173170951 975064609 /nfs/dbraw/zinc/06/46/09/975064609.db2.gz AXKWEWLTKANGNX-GUBZILKMSA-N 0 1 237.265 2.233 20 0 BEADMN CCSC[C@@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001173299727 975192373 /nfs/dbraw/zinc/19/23/73/975192373.db2.gz IHENMOKVQVZHIE-ZJUUUORDSA-N 0 1 233.352 2.131 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1ccncn1 ZINC001173306975 975218488 /nfs/dbraw/zinc/21/84/88/975218488.db2.gz AOWWIMFLBRFBQJ-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN FCCNCc1ccccc1N1CCCC1 ZINC000304122794 1167083617 /nfs/dbraw/zinc/08/36/17/1167083617.db2.gz ANGDRPDCXSNEOX-UHFFFAOYSA-N 0 1 222.307 2.346 20 0 BEADMN CCn1cc(CN2CCC[C@H](C(C)C)C2)nn1 ZINC001332799451 975288901 /nfs/dbraw/zinc/28/89/01/975288901.db2.gz MZVDUTFOCAFDJR-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H]2CC[C@@H]2C)n1 ZINC001332891318 975308865 /nfs/dbraw/zinc/30/88/65/975308865.db2.gz ARSBRRMXWWSPCP-ATZCPNFKSA-N 0 1 222.336 2.056 20 0 BEADMN C=C/C=C/CCN(CC(=O)OC)CC(C)C ZINC001333018395 975375041 /nfs/dbraw/zinc/37/50/41/975375041.db2.gz AXZSCVCEGPGVAB-VOTSOKGWSA-N 0 1 225.332 2.250 20 0 BEADMN CCN(CC(=O)OC(C)C)CC(C)(C)C ZINC000308801965 1167202016 /nfs/dbraw/zinc/20/20/16/1167202016.db2.gz DZEZWGILCMNIMI-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1nc(Nc2ccncc2)sc1C ZINC001173879729 975913385 /nfs/dbraw/zinc/91/33/85/975913385.db2.gz ZHOZJYAMRCCVKT-UHFFFAOYSA-N 0 1 205.286 2.320 20 0 BEADMN CC(C)(C)n1cc(Nc2ccncc2)cn1 ZINC001173882115 975935164 /nfs/dbraw/zinc/93/51/64/975935164.db2.gz SICPGWVPPNQBIK-UHFFFAOYSA-N 0 1 216.288 2.199 20 0 BEADMN FC(F)c1noc(CN[C@@H]2CCCC23CC3)n1 ZINC001333852112 976124191 /nfs/dbraw/zinc/12/41/91/976124191.db2.gz WZFIGVIYZLGONL-SSDOTTSWSA-N 0 1 243.257 2.430 20 0 BEADMN CC[C@H](COC)NCc1c(F)cccc1OC ZINC001334232725 976389921 /nfs/dbraw/zinc/38/99/21/976389921.db2.gz ANEALXYSRMPIRJ-SNVBAGLBSA-N 0 1 241.306 2.349 20 0 BEADMN CC(C)(CF)NCc1cn2ccnc2s1 ZINC001335001957 976818877 /nfs/dbraw/zinc/81/88/77/976818877.db2.gz YIIJDZDOZLMBTG-UHFFFAOYSA-N 0 1 227.308 2.234 20 0 BEADMN Cc1ccnc(CNCc2ccncc2C)c1 ZINC000384883420 1167372229 /nfs/dbraw/zinc/37/22/29/1167372229.db2.gz VMSNORAJFUXKAZ-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1nnc(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001335355563 976990628 /nfs/dbraw/zinc/99/06/28/976990628.db2.gz YRKRHEWNZRZCEO-AEJSXWLSSA-N 0 1 221.329 2.417 20 0 BEADMN Cc1nnc(CN[C@@H]2CCC[C@@H](F)C2)s1 ZINC001335540558 977128856 /nfs/dbraw/zinc/12/88/56/977128856.db2.gz PLCZSMCGAWBXTE-RKDXNWHRSA-N 0 1 229.324 2.217 20 0 BEADMN Cc1cc(CCC(=O)Nc2ccccc2F)n[nH]1 ZINC001628393545 1167438200 /nfs/dbraw/zinc/43/82/00/1167438200.db2.gz JNCRXVCEQSFTEM-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438302 1167473760 /nfs/dbraw/zinc/47/37/60/1167473760.db2.gz HLFJPTJMCQIITH-YUMQZZPRSA-N 0 1 234.303 2.475 20 0 BEADMN CC(C)(C)c1ccc(NC[C@H]2COCCN2)cc1 ZINC000214193679 1167522818 /nfs/dbraw/zinc/52/28/18/1167522818.db2.gz SJGKZYGLNBMTOA-AWEZNQCLSA-N 0 1 248.370 2.384 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721255796 1167538198 /nfs/dbraw/zinc/53/81/98/1167538198.db2.gz PPXGGBQYXPXJIT-DEQVHRJGSA-N 0 1 245.322 2.400 20 0 BEADMN C[N@H+](Cc1ccc(Cl)c([O-])c1)[C@@H]1CCOC1 ZINC001231734457 977714445 /nfs/dbraw/zinc/71/44/45/977714445.db2.gz ZXWCSSVPDRPVQV-SNVBAGLBSA-N 0 1 241.718 2.266 20 0 BEADMN C[N@@H+](Cc1ccc(Cl)c([O-])c1)[C@@H]1CCOC1 ZINC001231734457 977714459 /nfs/dbraw/zinc/71/44/59/977714459.db2.gz ZXWCSSVPDRPVQV-SNVBAGLBSA-N 0 1 241.718 2.266 20 0 BEADMN COc1ncc(F)cc1CN1CC[C@@H](C)C1 ZINC001231740047 977728110 /nfs/dbraw/zinc/72/81/10/977728110.db2.gz QJNSRDMGKYGPQB-SECBINFHSA-N 0 1 224.279 2.071 20 0 BEADMN CCN(CCOC)Cc1ccnc(C(F)F)c1 ZINC001231887073 977785804 /nfs/dbraw/zinc/78/58/04/977785804.db2.gz LWLVLIKJBGJJNU-UHFFFAOYSA-N 0 1 244.285 2.488 20 0 BEADMN CN(CC1CC1)C(=O)c1cc(F)cc(F)c1O ZINC001336667932 977841829 /nfs/dbraw/zinc/84/18/29/977841829.db2.gz FJEYFCXIHJLLBU-UHFFFAOYSA-N 0 1 241.237 2.152 20 0 BEADMN Fc1cc(Nc2ncc[nH]2)c(Cl)c(F)n1 ZINC001176080828 977876762 /nfs/dbraw/zinc/87/67/62/977876762.db2.gz YDAFOXKQNXFUCQ-UHFFFAOYSA-N 0 1 230.605 2.480 20 0 BEADMN CC(C)O[C@H]1CCN(Cc2ccns2)C1 ZINC001232192616 977914411 /nfs/dbraw/zinc/91/44/11/977914411.db2.gz RQXRNZYWAUEBQR-JTQLQIEISA-N 0 1 226.345 2.142 20 0 BEADMN COC(=O)c1sccc1N=C1CCOCC1 ZINC001176140185 977917862 /nfs/dbraw/zinc/91/78/62/977917862.db2.gz PPMOTOIAZDSUCI-UHFFFAOYSA-N 0 1 239.296 2.251 20 0 BEADMN C1=C[C@H](NCc2cn3ccccc3n2)CC1 ZINC000698251590 1167642568 /nfs/dbraw/zinc/64/25/68/1167642568.db2.gz WPIANNHTMCAQHD-NSHDSACASA-N 0 1 213.284 2.143 20 0 BEADMN Cc1ncn(C)c1Nc1csc(CO)c1 ZINC001176370390 978057867 /nfs/dbraw/zinc/05/78/67/978057867.db2.gz MAJLTVCHUBUXJI-UHFFFAOYSA-N 0 1 223.301 2.026 20 0 BEADMN Cc1c(CN2CCC[C@@H]2CO)ccnc1Cl ZINC001232752298 978259635 /nfs/dbraw/zinc/25/96/35/978259635.db2.gz URKHXXNVKOOHOB-LLVKDONJSA-N 0 1 240.734 2.000 20 0 BEADMN Cc1cc(CN2CC[C@H](CO)C2)c(F)cc1F ZINC001232783459 978276003 /nfs/dbraw/zinc/27/60/03/978276003.db2.gz YDLHFVXIIFKALD-JTQLQIEISA-N 0 1 241.281 2.087 20 0 BEADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001233038596 978421063 /nfs/dbraw/zinc/42/10/63/978421063.db2.gz WKPPEHITZACACJ-WCBMZHEXSA-N 0 1 238.718 2.425 20 0 BEADMN [O-]c1cnc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001233034190 978418273 /nfs/dbraw/zinc/41/82/73/978418273.db2.gz HNXVGUOGURTSNZ-WCBMZHEXSA-N 0 1 238.718 2.425 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc([S-])cc2)CC[C@@H]1O ZINC001233259622 978516141 /nfs/dbraw/zinc/51/61/41/978516141.db2.gz ZEGRCTMSDLKKAC-GWCFXTLKSA-N 0 1 237.368 2.178 20 0 BEADMN C[C@]1(CCNc2ccnc(N)n2)C[C@]1(F)Cl ZINC001338029679 978593500 /nfs/dbraw/zinc/59/35/00/978593500.db2.gz WEGBBYCDZPDLBX-VHSXEESVSA-N 0 1 244.701 2.175 20 0 BEADMN Cc1cc(CN2C[C@H](F)C[C@H]2CO)sc1C ZINC001233655781 978663437 /nfs/dbraw/zinc/66/34/37/978663437.db2.gz MPSRUKNZBFEELG-MNOVXSKESA-N 0 1 243.347 2.270 20 0 BEADMN Cc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600191278 978673782 /nfs/dbraw/zinc/67/37/82/978673782.db2.gz FEMIEJPPQXKLNH-DTORHVGOSA-N 0 1 222.288 2.004 20 0 BEADMN COc1cc(CN(C)CC(C)C)c(F)cn1 ZINC001235321168 979021953 /nfs/dbraw/zinc/02/19/53/979021953.db2.gz SKUMODFGTSSHKP-UHFFFAOYSA-N 0 1 226.295 2.317 20 0 BEADMN COc1cc(CN2CCC[C@@H]2C)c(F)cn1 ZINC001235321939 979022546 /nfs/dbraw/zinc/02/25/46/979022546.db2.gz XBCNTVOKIPTRBH-VIFPVBQESA-N 0 1 224.279 2.214 20 0 BEADMN Cc1cc(OC(C)C)ncc1CN1CCC1 ZINC001235416176 979043006 /nfs/dbraw/zinc/04/30/06/979043006.db2.gz CAZQZPBIUGHJJM-UHFFFAOYSA-N 0 1 220.316 2.383 20 0 BEADMN CCN(CC(=O)OC)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249953625 1168236883 /nfs/dbraw/zinc/23/68/83/1168236883.db2.gz KWURPOAOMISAJC-GDNZZTSVSA-N 0 1 227.348 2.306 20 0 BEADMN O=C(NC1CCC1)c1ccc(Cl)c(O)c1 ZINC001626024165 1168255668 /nfs/dbraw/zinc/25/56/68/1168255668.db2.gz ZBPUXBDJMGIZCW-UHFFFAOYSA-N 0 1 225.675 2.328 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371943 1168267423 /nfs/dbraw/zinc/26/74/23/1168267423.db2.gz JFTDVCZNEYLSLQ-KBPBESRZSA-N 0 1 248.370 2.182 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1cccn2ccnc12 ZINC001142944457 1168276719 /nfs/dbraw/zinc/27/67/19/1168276719.db2.gz LFVWPMQRKCADQN-PWSUYJOCSA-N 0 1 233.290 2.267 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncc(C(=O)[O-])s2)[C@H]1C ZINC001604757470 979714295 /nfs/dbraw/zinc/71/42/95/979714295.db2.gz QRMQHKMWIWQYRT-YUMQZZPRSA-N 0 1 240.328 2.072 20 0 BEADMN CCC(C)(C)CC[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001604896080 979753932 /nfs/dbraw/zinc/75/39/32/979753932.db2.gz OOUQKXXWWQDJIX-URLYPYJESA-N 0 1 225.332 2.075 20 0 BEADMN CCCCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236981224 979799505 /nfs/dbraw/zinc/79/95/05/979799505.db2.gz MDNNYLMUYLEIFX-VIFPVBQESA-N 0 1 224.270 2.013 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001342458768 979806154 /nfs/dbraw/zinc/80/61/54/979806154.db2.gz OIVFISXRQNIUPI-XVKPBYJWSA-N 0 1 223.247 2.060 20 0 BEADMN CC(C)CNC(=O)CNC/C=C/c1ccccc1 ZINC000134638062 1168350696 /nfs/dbraw/zinc/35/06/96/1168350696.db2.gz SAOFYQWVMKPFBL-RMKNXTFCSA-N 0 1 246.354 2.062 20 0 BEADMN C[C@H]1CCN(CC2OC=CC2=S)CCC1=O ZINC001237182218 979831011 /nfs/dbraw/zinc/83/10/11/979831011.db2.gz RXWRGWJDXJJLPT-VIFPVBQESA-N 0 1 239.340 2.369 20 0 BEADMN Cc1cc(F)cc(NCc2cnc[nH]2)c1 ZINC000085729861 1168352249 /nfs/dbraw/zinc/35/22/49/1168352249.db2.gz RCIRYNQURFVVON-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC[C@@H](F)C2)CCC1 ZINC001605951712 979936811 /nfs/dbraw/zinc/93/68/11/979936811.db2.gz ZGARQPFHFJFUOW-SNVBAGLBSA-N 0 1 229.295 2.065 20 0 BEADMN Cc1coc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC001237633437 979984555 /nfs/dbraw/zinc/98/45/55/979984555.db2.gz ACNPWVCMQPUSEN-GHMZBOCLSA-N 0 1 206.289 2.215 20 0 BEADMN COCC[C@H]1CCCCN1Cc1nc(C)co1 ZINC001237641941 979994100 /nfs/dbraw/zinc/99/41/00/979994100.db2.gz BRUXBAZGVWZMQN-GFCCVEGCSA-N 0 1 238.331 2.374 20 0 BEADMN CCn1ccnc1CNC[C@H]1CCC2(CCC2)O1 ZINC000711487852 1168405893 /nfs/dbraw/zinc/40/58/93/1168405893.db2.gz GTLBKGYOGKVGCC-GFCCVEGCSA-N 0 1 249.358 2.094 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CC[C@H](CF)C1 ZINC000711481789 1168405384 /nfs/dbraw/zinc/40/53/84/1168405384.db2.gz OAYSBWNUYQTIAL-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN COc1ccoc1CN1CC[C@@H](OC(C)C)C1 ZINC001237871138 980104140 /nfs/dbraw/zinc/10/41/40/980104140.db2.gz SFYKWUDHXSBLCS-LLVKDONJSA-N 0 1 239.315 2.288 20 0 BEADMN CCO[C@@H]1CCCN(Cc2occc2OC)C1 ZINC001237871872 980107714 /nfs/dbraw/zinc/10/77/14/980107714.db2.gz NNCXWZVFVBITBY-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN Cc1ccc([C@H](C)NCc2nnc[nH]2)s1 ZINC000037919068 1168421031 /nfs/dbraw/zinc/42/10/31/1168421031.db2.gz GVGYPRWSQNDRNU-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN Oc1c(F)cc(CN2CC(F)C2)cc1Cl ZINC001237990238 980120290 /nfs/dbraw/zinc/12/02/90/980120290.db2.gz LQMWBSACZXYIJG-UHFFFAOYSA-N 0 1 233.645 2.338 20 0 BEADMN FC1CN(Cc2n[nH]c3cc(Cl)ccc32)C1 ZINC001237993729 980120315 /nfs/dbraw/zinc/12/03/15/980120315.db2.gz QNDKLTQYEKEHEW-UHFFFAOYSA-N 0 1 239.681 2.370 20 0 BEADMN CCN(Cc1ccsc1C)C1CN(C)C1 ZINC001237974055 980119064 /nfs/dbraw/zinc/11/90/64/980119064.db2.gz KHSJLDPNRZARGB-UHFFFAOYSA-N 0 1 224.373 2.192 20 0 BEADMN CCCN(Cc1c(N)ccnc1F)CC1CC1 ZINC001238151414 980176528 /nfs/dbraw/zinc/17/65/28/980176528.db2.gz CWSKWYMGDUZRAY-UHFFFAOYSA-N 0 1 237.322 2.425 20 0 BEADMN CC1(C)CCN(Cc2c(N)ccnc2F)CC1 ZINC001238156943 980181123 /nfs/dbraw/zinc/18/11/23/980181123.db2.gz SCXRMNDQGSQDOW-UHFFFAOYSA-N 0 1 237.322 2.425 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H](C)C2CCCC2)n1 ZINC001230282459 1168437525 /nfs/dbraw/zinc/43/75/25/1168437525.db2.gz VTSZEYZQGZKQPN-QMMMGPOBSA-N 0 1 238.287 2.154 20 0 BEADMN O=C([O-])C1(C[N@@H+](CC(F)F)CC2CCC2)CC1 ZINC001608569368 980232879 /nfs/dbraw/zinc/23/28/79/980232879.db2.gz CQSIMGXKERUCLN-UHFFFAOYSA-N 0 1 247.285 2.218 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)ncc1Cl ZINC001238417795 980245006 /nfs/dbraw/zinc/24/50/06/980245006.db2.gz GDSBZGXGSKUQPO-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN CC[C@H](C)CCC(=O)NC1CN(C(C)(C)C)C1 ZINC001185583293 980259429 /nfs/dbraw/zinc/25/94/29/980259429.db2.gz QUNPQOFZTUDSDY-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CCN(CC(=O)NC)Cc1ccccc1C1CC1 ZINC000768308657 1168505530 /nfs/dbraw/zinc/50/55/30/1168505530.db2.gz QJRASQKAMOFJSI-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC[C@@H]1CC1(F)F ZINC001346169694 980773685 /nfs/dbraw/zinc/77/36/85/980773685.db2.gz VRWOBTDHEYMEOY-VHSXEESVSA-N 0 1 247.285 2.058 20 0 BEADMN CC/C=C\COC(=O)[C@H]1CCCN1C(C)C ZINC001346487974 980850759 /nfs/dbraw/zinc/85/07/59/980850759.db2.gz LGLDYKRUKUTXBU-FOQNGQEVSA-N 0 1 225.332 2.369 20 0 BEADMN CC/C=C/NC(=O)c1c(O)ccc(F)c1F ZINC001192786264 981188460 /nfs/dbraw/zinc/18/84/60/981188460.db2.gz MTXUVZBJQRIDET-ZZXKWVIFSA-N 0 1 227.210 2.324 20 0 BEADMN Cc1nc(CN2CCCC[C@H](O)C2)sc1C ZINC001144359710 1168650328 /nfs/dbraw/zinc/65/03/28/1168650328.db2.gz KYFFFOLDGPWWHN-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN CC1(NCc2cccnc2Br)CC1 ZINC001348538563 981387349 /nfs/dbraw/zinc/38/73/49/981387349.db2.gz YEEIMUKPQRLSGD-UHFFFAOYSA-N 0 1 241.132 2.486 20 0 BEADMN Cc1cnc(Cl)cc1Nc1nccnc1CN ZINC001171447386 1168672350 /nfs/dbraw/zinc/67/23/50/1168672350.db2.gz CTONYMIAXMPJHS-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN CCCCCCOC(=O)NC[C@@H]1CCC[N@H+]1C ZINC001194194190 981597261 /nfs/dbraw/zinc/59/72/61/981597261.db2.gz BPFJEMDRPAIMIB-LBPRGKRZSA-N 0 1 242.363 2.387 20 0 BEADMN CCOC(=O)c1cnn(C)c1N=C1CCCCC1 ZINC001175751744 1168697069 /nfs/dbraw/zinc/69/70/69/1168697069.db2.gz GPMLAQCAMCGZDW-UHFFFAOYSA-N 0 1 249.314 2.467 20 0 BEADMN O=C(Nc1ccsn1)c1cccc(F)c1O ZINC001583231635 981807124 /nfs/dbraw/zinc/80/71/24/981807124.db2.gz SICHNZGBGQOMGA-UHFFFAOYSA-N 0 1 238.243 2.240 20 0 BEADMN C[C@@H]1CC(N(C)Cc2ccon2)C[C@@H](C)O1 ZINC000339002685 1168713714 /nfs/dbraw/zinc/71/37/14/1168713714.db2.gz CBWQZCAQBNJOLS-NXEZZACHSA-N 0 1 224.304 2.062 20 0 BEADMN Cc1ncc(F)cc1C1=CCN(C)CC1 ZINC001241326967 982488042 /nfs/dbraw/zinc/48/80/42/982488042.db2.gz CZDDRGRXJZXHDV-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN C[C@@H](c1ccc(F)nc1)[N@@H+](C)CCCC(=O)[O-] ZINC001589174967 982659047 /nfs/dbraw/zinc/65/90/47/982659047.db2.gz LGXXANOFAWDTOP-VIFPVBQESA-N 0 1 240.278 2.078 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[Si](C)(C)C ZINC001589308577 982713158 /nfs/dbraw/zinc/71/31/58/982713158.db2.gz VPDMMHUQRFBGPP-VHSXEESVSA-N 0 1 229.396 2.049 20 0 BEADMN CC(C)NC(=O)Nc1cc(O)c(F)c(F)c1 ZINC001202526656 1168901555 /nfs/dbraw/zinc/90/15/55/1168901555.db2.gz RLHGXDQXDSODEQ-UHFFFAOYSA-N 0 1 230.214 2.200 20 0 BEADMN CN1CCC=C(c2ccnc(C3CC3)n2)C1 ZINC001241567389 982813987 /nfs/dbraw/zinc/81/39/87/982813987.db2.gz ZLHMVDLTUMOOFE-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CC/C=C\CC[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589627672 982850548 /nfs/dbraw/zinc/85/05/48/982850548.db2.gz ZLJMUWNARXJIJY-XLMCQVRKSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](Cc1ccc(CF)cc1)[C@@H](C)C(=O)[O-] ZINC001589736468 982878676 /nfs/dbraw/zinc/87/86/76/982878676.db2.gz SNBFCWPAKDTSHE-JTQLQIEISA-N 0 1 239.290 2.451 20 0 BEADMN C[C@H](O)CNc1cc2n[nH]cc2cc1Cl ZINC001251967722 983054852 /nfs/dbraw/zinc/05/48/52/983054852.db2.gz DBCYIENQNGCQEJ-LURJTMIESA-N 0 1 225.679 2.009 20 0 BEADMN CC(C)CN1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001201463866 983230915 /nfs/dbraw/zinc/23/09/15/983230915.db2.gz MSHXFZYMPASPNO-UHFFFAOYSA-N 0 1 242.363 2.194 20 0 BEADMN OCC1(CNc2ccc3c(n2)CCC3)CCC1 ZINC000717663426 1169028179 /nfs/dbraw/zinc/02/81/79/1169028179.db2.gz ANUGCEOEMZZEPM-UHFFFAOYSA-N 0 1 232.327 2.145 20 0 BEADMN CCC(CC)CN1CCN(C(C)(C)C)C(=O)C1 ZINC001201531783 983326478 /nfs/dbraw/zinc/32/64/78/983326478.db2.gz WBJGDRGUHWSEHE-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cn(C)nc1CN1CCS[C@H](C)CC1 ZINC001354708964 983349277 /nfs/dbraw/zinc/34/92/77/983349277.db2.gz LCXPPYOYYICOOT-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN CCCN1CCN(c2cc(Cl)ccn2)CC1 ZINC001201643452 983399631 /nfs/dbraw/zinc/39/96/31/983399631.db2.gz LHDTWTMDBXTVRR-UHFFFAOYSA-N 0 1 239.750 2.267 20 0 BEADMN Cc1nonc1CN(C)[C@@H](C)C(C)(C)C ZINC000685976749 1169092808 /nfs/dbraw/zinc/09/28/08/1169092808.db2.gz CNGKQKOROGQFBT-VIFPVBQESA-N 0 1 211.309 2.244 20 0 BEADMN FC(F)(F)CCN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001202306833 983617365 /nfs/dbraw/zinc/61/73/65/983617365.db2.gz CXAXLVZEJUFYBU-VHSXEESVSA-N 0 1 237.265 2.440 20 0 BEADMN Cc1n[nH]c2ccc(NCC(C)(C)O)cc12 ZINC001252361052 983746729 /nfs/dbraw/zinc/74/67/29/983746729.db2.gz WMBWLYYGWWYZPQ-UHFFFAOYSA-N 0 1 219.288 2.054 20 0 BEADMN C=COc1ccc(NC(=O)c2[nH]cnc2C)cc1 ZINC001626156101 1169215159 /nfs/dbraw/zinc/21/51/59/1169215159.db2.gz ACNSDFVEAYMDLY-UHFFFAOYSA-N 0 1 243.266 2.493 20 0 BEADMN COc1ccnc(N[C@@H]2CCO[C@@H](C)C2)c1 ZINC000381570170 1169239877 /nfs/dbraw/zinc/23/98/77/1169239877.db2.gz WUYFRRIWARSUFK-VHSXEESVSA-N 0 1 222.288 2.070 20 0 BEADMN CCCCCCN(CC)Cc1cn(C)nn1 ZINC000782103993 1169291794 /nfs/dbraw/zinc/29/17/94/1169291794.db2.gz YZHAKFJBXMTVPU-UHFFFAOYSA-N 0 1 224.352 2.217 20 0 BEADMN CSc1ccc(-n2cncc2N)c(C)c1 ZINC001215475393 970764983 /nfs/dbraw/zinc/76/49/83/970764983.db2.gz DWXIFKUDPXRQSB-UHFFFAOYSA-N 0 1 219.313 2.485 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@@H](O)CC1 ZINC001117746927 1169303424 /nfs/dbraw/zinc/30/34/24/1169303424.db2.gz QPSXTAYRSPQMNQ-LLVKDONJSA-N 0 1 238.331 2.145 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001172442267 974802237 /nfs/dbraw/zinc/80/22/37/974802237.db2.gz HWRHASXXAWSIDK-NEPJUHHUSA-N 0 1 245.338 2.193 20 0 BEADMN CC(C)OCC[C@@H](C)N1CCC(=O)[C@@H](C)C1 ZINC001172444426 974804464 /nfs/dbraw/zinc/80/44/64/974804464.db2.gz UBXIBLSONMJZBF-NWDGAFQWSA-N 0 1 227.348 2.101 20 0 BEADMN CCCc1[nH]ncc1C(=O)N1OC2CCC1CC2 ZINC001119111503 1169313533 /nfs/dbraw/zinc/31/35/33/1169313533.db2.gz NOJZFQFMKABOPB-UHFFFAOYSA-N 0 1 249.314 2.061 20 0 BEADMN CCN([C@H](C)CCOC(C)C)[C@@H](C)C(=O)OC ZINC001172459764 974824145 /nfs/dbraw/zinc/82/41/45/974824145.db2.gz LRXLQLJYGZMADO-NEPJUHHUSA-N 0 1 245.363 2.073 20 0 BEADMN COC(=O)CN(CCCCCF)CC(C)C ZINC001327716631 972714511 /nfs/dbraw/zinc/71/45/11/972714511.db2.gz MGZGRBBTLHDWBV-UHFFFAOYSA-N 0 1 233.327 2.257 20 0 BEADMN CCc1cccc(CN2CC3(COC3)C2)c1 ZINC001144315263 972758242 /nfs/dbraw/zinc/75/82/42/972758242.db2.gz NIPCCXINBSHFTP-UHFFFAOYSA-N 0 1 217.312 2.081 20 0 BEADMN Cc1cc(F)ccc1CN1CC[N@H+]2CC[C@H]1C2 ZINC001140781322 1169376166 /nfs/dbraw/zinc/37/61/66/1169376166.db2.gz SOYYRFGVMSYLMH-AWEZNQCLSA-N 0 1 234.318 2.024 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1OCc1nn[nH]n1 ZINC001223026951 972806465 /nfs/dbraw/zinc/80/64/65/972806465.db2.gz KJSOIUKQEGQHTA-ZJUUUORDSA-N 0 1 224.308 2.075 20 0 BEADMN CCC[C@@H](C)[C@@H](OCc1nn[nH]n1)C(C)C ZINC001223027652 972807385 /nfs/dbraw/zinc/80/73/85/972807385.db2.gz REQDACLOSYKURA-KOLCDFICSA-N 0 1 226.324 2.177 20 0 BEADMN CCCCCCNC(=O)CCN1CC[C@@H](F)C1 ZINC001141322369 1169381466 /nfs/dbraw/zinc/38/14/66/1169381466.db2.gz LWCIFLRMECCPLT-GFCCVEGCSA-N 0 1 244.354 2.117 20 0 BEADMN CCCCCCNC(=O)CCN1CC[C@H](F)C1 ZINC001141322370 1169381976 /nfs/dbraw/zinc/38/19/76/1169381976.db2.gz LWCIFLRMECCPLT-LBPRGKRZSA-N 0 1 244.354 2.117 20 0 BEADMN CC[N@@H+](C)Cc1cc(F)c([O-])cc1F ZINC001144646799 972907993 /nfs/dbraw/zinc/90/79/93/972907993.db2.gz LDUCEGUWDFRXOI-UHFFFAOYSA-N 0 1 201.216 2.122 20 0 BEADMN C[N@H+](Cc1sccc1C(=O)[O-])CC1CC1 ZINC001144666191 972923648 /nfs/dbraw/zinc/92/36/48/972923648.db2.gz WUAFMOYPWBDOER-UHFFFAOYSA-N 0 1 225.313 2.288 20 0 BEADMN Cc1cccc2nc(C(=O)N3CCCC3)[nH]c21 ZINC001151982841 1169412514 /nfs/dbraw/zinc/41/25/14/1169412514.db2.gz NDHSOJDDQDNXGX-UHFFFAOYSA-N 0 1 229.283 2.107 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400076835 973251329 /nfs/dbraw/zinc/25/13/29/973251329.db2.gz LCSHPJLKHASKFM-VXGBXAGGSA-N 0 1 225.332 2.362 20 0 BEADMN CCOc1ccnc(N[C@H](COC)C2CC2)c1 ZINC001161724044 1169445979 /nfs/dbraw/zinc/44/59/79/1169445979.db2.gz YICNZBWRZYKEER-GFCCVEGCSA-N 0 1 236.315 2.317 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000402216742 970769859 /nfs/dbraw/zinc/76/98/59/970769859.db2.gz OUBIPEFARMLNHO-YPMHNXCESA-N 0 1 223.316 2.282 20 0 BEADMN Cc1cnc(CCNc2nccc(C)c2C)nc1 ZINC001162239634 1169449901 /nfs/dbraw/zinc/44/99/01/1169449901.db2.gz XIZXVKFNEMRANZ-UHFFFAOYSA-N 0 1 242.326 2.451 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@@H](C)CCC(C)C ZINC001256370491 970781210 /nfs/dbraw/zinc/78/12/10/970781210.db2.gz ITLUFNTWNYUGFU-WDEREUQCSA-N 0 1 215.337 2.304 20 0 BEADMN CC(C)CC[C@H](C)N1CC(=O)N2CCC[C@@H]2C1 ZINC001256370823 970785712 /nfs/dbraw/zinc/78/57/12/970785712.db2.gz KSHQPJCWBAIWNZ-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1c(Nc2cc3[nH]ncc3c(F)c2)cnn1C ZINC001215552159 970789732 /nfs/dbraw/zinc/78/97/32/970789732.db2.gz IBIRWFRAUIOEMD-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN Cc1c(Nc2cc3n[nH]cc3c(F)c2)ncn1C ZINC001215555018 970789754 /nfs/dbraw/zinc/78/97/54/970789754.db2.gz GLWHXBNBIACUFN-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN CCOc1ccc(Nc2ccncc2)c(C)n1 ZINC001215576504 970793845 /nfs/dbraw/zinc/79/38/45/970793845.db2.gz BDBOHFIDWBOEKH-UHFFFAOYSA-N 0 1 229.283 2.349 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)c(O)cc1F ZINC001215572182 970793949 /nfs/dbraw/zinc/79/39/49/970793949.db2.gz PDDOTPTUBXFBEX-UHFFFAOYSA-N 0 1 239.225 2.456 20 0 BEADMN Cc1nc(CN[C@H]2CO[C@H](C)C2)sc1C ZINC000402369269 970794420 /nfs/dbraw/zinc/79/44/20/970794420.db2.gz XRQIRLSCPOUPBM-GMSGAONNSA-N 0 1 226.345 2.027 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCCC(=O)[C@H](C)C1 ZINC001256409367 970815198 /nfs/dbraw/zinc/81/51/98/970815198.db2.gz COAJOVSACFGSDO-OLZOCXBDSA-N 0 1 246.354 2.314 20 0 BEADMN COC(C)(CNc1cn2ccnc2cc1C)OC ZINC001170437383 970817611 /nfs/dbraw/zinc/81/76/11/970817611.db2.gz KNXRKKYSMANSIL-UHFFFAOYSA-N 0 1 249.314 2.064 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCCC(=O)CC1 ZINC001256413142 970824021 /nfs/dbraw/zinc/82/40/21/970824021.db2.gz BUQSIRGTJOJWSB-GFCCVEGCSA-N 0 1 232.327 2.068 20 0 BEADMN COc1ccc(Nc2cncn2C)c2c[nH]nc21 ZINC001215747855 970827992 /nfs/dbraw/zinc/82/79/92/970827992.db2.gz DJEMCXMADZTLGC-UHFFFAOYSA-N 0 1 243.270 2.049 20 0 BEADMN Cc1ccc(Nc2ccncn2)c2cn[nH]c21 ZINC001215754249 970830626 /nfs/dbraw/zinc/83/06/26/970830626.db2.gz PTVZUQWVBBMRIR-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCOC[C@H]1C1CC1 ZINC001256427630 970833934 /nfs/dbraw/zinc/83/39/34/970833934.db2.gz XNZSSONYLOYWQJ-WFASDCNBSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H](Cc1ccccn1)N(C)Cc1ccno1 ZINC001256427635 970834611 /nfs/dbraw/zinc/83/46/11/970834611.db2.gz XPXUUTPQJVAYNE-LLVKDONJSA-N 0 1 231.299 2.133 20 0 BEADMN COc1cc(SC)c(Nc2ccncc2)cn1 ZINC001215809488 970850825 /nfs/dbraw/zinc/85/08/25/970850825.db2.gz OOPIFSYQGZSDNW-UHFFFAOYSA-N 0 1 247.323 2.373 20 0 BEADMN CCc1[nH]ncc1-c1nnc(CC(C)C)o1 ZINC001256481681 970853344 /nfs/dbraw/zinc/85/33/44/970853344.db2.gz UKMPDNYHTDBBEU-UHFFFAOYSA-N 0 1 220.276 2.221 20 0 BEADMN CCOc1cc(C)ccc1-n1cnc(C)c1N ZINC001215875307 970870485 /nfs/dbraw/zinc/87/04/85/970870485.db2.gz UNEZXXRNWZMBGH-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN COCc1cc(OC)ccc1Nc1ccncc1 ZINC001215974184 970885686 /nfs/dbraw/zinc/88/56/86/970885686.db2.gz AFNLMQXIZSOQNQ-UHFFFAOYSA-N 0 1 244.294 2.402 20 0 BEADMN Cc1ncn(-c2c(O)cccc2Cl)c1N ZINC001215984398 970887381 /nfs/dbraw/zinc/88/73/81/970887381.db2.gz LHTZHFWDLJUNHW-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2nccc3nc[nH]c32)o1 ZINC001256634975 970898206 /nfs/dbraw/zinc/89/82/06/970898206.db2.gz PSWVHQBVYXGYCZ-BQBZGAKWSA-N 0 1 241.254 2.131 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@H]2CCc3[nH]cnc3C2)o1 ZINC001256657247 970905395 /nfs/dbraw/zinc/90/53/95/970905395.db2.gz KNNPNQBODYGWFF-VGMNWLOBSA-N 0 1 244.298 2.189 20 0 BEADMN Cc1ncn(-c2cc(C)cc(Cl)c2N)c1N ZINC001216093149 970934191 /nfs/dbraw/zinc/93/41/91/970934191.db2.gz UFBXEKGQWYHOCM-UHFFFAOYSA-N 0 1 236.706 2.307 20 0 BEADMN Cc1coc(CN[C@H](C)Cc2ccncc2)n1 ZINC001256716127 970934851 /nfs/dbraw/zinc/93/48/51/970934851.db2.gz LTZLBOOGKIZQCL-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCCC(=O)CC1 ZINC001256737696 970969575 /nfs/dbraw/zinc/96/95/75/970969575.db2.gz GUIGTTLZTRFZDG-GFCCVEGCSA-N 0 1 232.327 2.068 20 0 BEADMN CC[C@@H]1COCCN1[C@@H](C)Cc1ccncc1 ZINC001256744877 970976689 /nfs/dbraw/zinc/97/66/89/970976689.db2.gz ANMOQVLEKCAYNT-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CC[C@H](n2ccnc2CN)C[C@@H]1C ZINC000087343203 1169494636 /nfs/dbraw/zinc/49/46/36/1169494636.db2.gz ULKQFWIEBKLCLI-VWYCJHECSA-N 0 1 207.321 2.339 20 0 BEADMN OCC[C@H]1CCCN1CC=C(Cl)Cl ZINC000403595509 970988556 /nfs/dbraw/zinc/98/85/56/970988556.db2.gz FUUGFMHMDNVKBO-MRVPVSSYSA-N 0 1 224.131 2.152 20 0 BEADMN c1cc(CNC2C[C@H]3CC[C@@H](C2)S3)no1 ZINC000403622116 970999649 /nfs/dbraw/zinc/99/96/49/970999649.db2.gz HLIABNUKJBYFMV-FGWVZKOKSA-N 0 1 224.329 2.191 20 0 BEADMN COc1cc(-n2cncc2N)ccc1OC(C)C ZINC001216245190 971004001 /nfs/dbraw/zinc/00/40/01/971004001.db2.gz XYKQHJQZXOXKSX-UHFFFAOYSA-N 0 1 247.298 2.250 20 0 BEADMN OC1C[C@H]2CC[C@@H](C1)N2CC=C(Cl)Cl ZINC000403662923 971009469 /nfs/dbraw/zinc/00/94/69/971009469.db2.gz SZLBVUVIWMEIQQ-JVHMLUBASA-N 0 1 236.142 2.293 20 0 BEADMN Nc1cccnc1-c1cccc2nc[nH]c21 ZINC001243929554 971028455 /nfs/dbraw/zinc/02/84/55/971028455.db2.gz TUAGDARXVIJNNQ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COc1cccc(C2=CNCCC2)c1OC ZINC001243950253 971040214 /nfs/dbraw/zinc/04/02/14/971040214.db2.gz UUUBDIRRPZKZAK-UHFFFAOYSA-N 0 1 219.284 2.428 20 0 BEADMN Cc1c(Cl)cccc1Nc1nonc1N ZINC001216322845 971041301 /nfs/dbraw/zinc/04/13/01/971041301.db2.gz DOXNMEYZMWJQSF-UHFFFAOYSA-N 0 1 224.651 2.357 20 0 BEADMN CC(=O)c1cccc(NC2=CCN(C)CC2)c1O ZINC001208856643 1169508501 /nfs/dbraw/zinc/50/85/01/1169508501.db2.gz ICAFEAGRDMPRBQ-UHFFFAOYSA-N 0 1 246.310 2.226 20 0 BEADMN COc1c(O)cccc1Nc1c(C)ncn1C ZINC001216349594 971062447 /nfs/dbraw/zinc/06/24/47/971062447.db2.gz YRFBAURPIKTLDJ-UHFFFAOYSA-N 0 1 233.271 2.186 20 0 BEADMN COc1c(O)cccc1Nc1ccnc(CO)c1 ZINC001216348844 971063161 /nfs/dbraw/zinc/06/31/61/971063161.db2.gz IJCXVAVFOODSPM-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)c2ccccc2)[C@@H](C)CO1 ZINC000403813286 971068478 /nfs/dbraw/zinc/06/84/78/971068478.db2.gz KBVDPCBZKCZRNL-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN COc1c(F)ccc(Nc2ccncc2)c1OC ZINC001216390227 971069060 /nfs/dbraw/zinc/06/90/60/971069060.db2.gz YMPOMROGNPJJAW-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)c2ccccc2)[C@H](C)CO1 ZINC000403813313 971070709 /nfs/dbraw/zinc/07/07/09/971070709.db2.gz KBVDPCBZKCZRNL-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@H](C)CO1 ZINC000403813290 971072325 /nfs/dbraw/zinc/07/23/25/971072325.db2.gz KBVDPCBZKCZRNL-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@H](F)C2)C1 ZINC001257059731 971080574 /nfs/dbraw/zinc/08/05/74/971080574.db2.gz MKXZFVRQBNTEEZ-SRVKXCTJSA-N 0 1 243.322 2.152 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001257059728 971080936 /nfs/dbraw/zinc/08/09/36/971080936.db2.gz MKXZFVRQBNTEEZ-GRYCIOLGSA-N 0 1 243.322 2.152 20 0 BEADMN Cc1coc(CNC2C[C@H](C)O[C@@H](C)C2)n1 ZINC001257070987 971084811 /nfs/dbraw/zinc/08/48/11/971084811.db2.gz UIOADLRDGOQKFN-UWVGGRQHSA-N 0 1 224.304 2.029 20 0 BEADMN CC(C)(O)c1cc(F)cc(Nc2nnco2)c1 ZINC001216487928 971097738 /nfs/dbraw/zinc/09/77/38/971097738.db2.gz FGHBKZFAWZNWQX-UHFFFAOYSA-N 0 1 237.234 2.180 20 0 BEADMN C[C@H]1CC(N2C[C@@H](F)C[C@H]2CF)C[C@H](C)O1 ZINC001257089809 971100831 /nfs/dbraw/zinc/10/08/31/971100831.db2.gz JCUQTDJZXDUGAM-GMOBBJLQSA-N 0 1 233.302 2.324 20 0 BEADMN Clc1ncc(N=C2CCCOC2)c(Cl)n1 ZINC001216504936 971101715 /nfs/dbraw/zinc/10/17/15/971101715.db2.gz DGKKZSKWKFETNO-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN CCCCOC1CN([C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001257096790 971111939 /nfs/dbraw/zinc/11/19/39/971111939.db2.gz JDNVZVRHGIKYRR-CLLJXQQHSA-N 0 1 241.375 2.443 20 0 BEADMN CCCOC1CN([C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001257098474 971108733 /nfs/dbraw/zinc/10/87/33/971108733.db2.gz ZQWFGJKXOQVWEK-ZSBIGDGJSA-N 0 1 227.348 2.053 20 0 BEADMN CN(Cc1ccc(O)cc1F)[C@H]1CCCOC1 ZINC000404148722 971137306 /nfs/dbraw/zinc/13/73/06/971137306.db2.gz QQUDCVKDCDHYNL-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN CCC[C@H](CC)N[C@H]1CCSC1=O ZINC001257246182 971141409 /nfs/dbraw/zinc/14/14/09/971141409.db2.gz DEISDTSHODTGBM-IUCAKERBSA-N 0 1 201.335 2.187 20 0 BEADMN OC[C@@H]1CCCN1Cc1csc(Cl)c1 ZINC000307317678 971153136 /nfs/dbraw/zinc/15/31/36/971153136.db2.gz LBKGXGGOEUHKHH-VIFPVBQESA-N 0 1 231.748 2.358 20 0 BEADMN CCC(CC)N[C@H](C(=O)OC)C1CCCC1 ZINC001257290881 971176320 /nfs/dbraw/zinc/17/63/20/971176320.db2.gz LJWCLSKHJYSVIB-LBPRGKRZSA-N 0 1 227.348 2.496 20 0 BEADMN CCC(CC)N1CC(Oc2cccnc2)C1 ZINC001257299967 971188739 /nfs/dbraw/zinc/18/87/39/971188739.db2.gz PCMRNAUWZMBFGX-UHFFFAOYSA-N 0 1 220.316 2.333 20 0 BEADMN CCC[C@@H](C)NCc1nccc(Cl)n1 ZINC001257308713 971200715 /nfs/dbraw/zinc/20/07/15/971200715.db2.gz DYCIABCIZMOSHS-MRVPVSSYSA-N 0 1 213.712 2.408 20 0 BEADMN CCN(CC)c1cc(F)cc(-n2cncc2N)c1 ZINC001216183137 1169541771 /nfs/dbraw/zinc/54/17/71/1169541771.db2.gz LLANMCLZFZKOHK-UHFFFAOYSA-N 0 1 248.305 2.440 20 0 BEADMN O[C@H](CN1CCC(F)(F)CC1)c1ccccc1 ZINC000405175192 1169546039 /nfs/dbraw/zinc/54/60/39/1169546039.db2.gz ZVNCPWRFLAVYCH-GFCCVEGCSA-N 0 1 241.281 2.451 20 0 BEADMN Cc1ccc(O)c(-c2cc(N)ccn2)c1 ZINC001244402604 971263848 /nfs/dbraw/zinc/26/38/48/971263848.db2.gz YGXDOMAIQLWFNO-UHFFFAOYSA-N 0 1 200.241 2.345 20 0 BEADMN CSc1ncc2c(n1)CN(C1CCCC1)CC2 ZINC001257355435 971272906 /nfs/dbraw/zinc/27/29/06/971272906.db2.gz SSQLFCYDODCGPP-UHFFFAOYSA-N 0 1 249.383 2.499 20 0 BEADMN CCCCCC[C@H](C)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001257359986 971275181 /nfs/dbraw/zinc/27/51/81/971275181.db2.gz GOQBRVYZIOMPAI-WPRPVWTQSA-N 0 1 244.360 2.244 20 0 BEADMN CCc1nc(CN[C@@H]2CO[C@@H](C)[C@@H]2C)cs1 ZINC000405558246 971276321 /nfs/dbraw/zinc/27/63/21/971276321.db2.gz RFZGLQYGERDDCW-ATZCPNFKSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@H](C)N1CC(=O)N[C@H](C)C1 ZINC001257362574 971278306 /nfs/dbraw/zinc/27/83/06/971278306.db2.gz DJFFMKPOGMTROT-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCCC[C@@H](C)N1CCNC(=O)[C@H]1C ZINC001257368895 971287830 /nfs/dbraw/zinc/28/78/30/971287830.db2.gz LWZIDWXCZXUWKQ-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)[C@H]1C)c1cscn1 ZINC000405677453 971290107 /nfs/dbraw/zinc/29/01/07/971290107.db2.gz YCHAUXZCEQNJGD-UTINFBMNSA-N 0 1 226.345 2.217 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCC2CC2)[C@@H]1C(=O)[O-] ZINC000405952754 971317824 /nfs/dbraw/zinc/31/78/24/971317824.db2.gz HKGSSVMXDZINEE-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN NC1(c2nnc(C3CCC3)o2)CCCC1 ZINC001217694084 971329083 /nfs/dbraw/zinc/32/90/83/971329083.db2.gz FNPUVTPSTFTWRA-UHFFFAOYSA-N 0 1 207.277 2.065 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@H]2NCCC[C@H]2C)o1 ZINC001217701338 971339359 /nfs/dbraw/zinc/33/93/59/971339359.db2.gz DGXWQYMLKYBZBR-IMSYWVGJSA-N 0 1 221.304 2.254 20 0 BEADMN CC[C@@H](C)NC1(c2ccc(F)cc2)COC1 ZINC001257433506 971343336 /nfs/dbraw/zinc/34/33/36/971343336.db2.gz IOFMUBSMNIIEDU-SNVBAGLBSA-N 0 1 223.291 2.439 20 0 BEADMN C[C@H]1CC[C@@H](c2nnc(C3CCC3)o2)NC1 ZINC001217702808 971346208 /nfs/dbraw/zinc/34/62/08/971346208.db2.gz NTAWIVYYXBEKCC-WPRPVWTQSA-N 0 1 221.304 2.398 20 0 BEADMN CN[C@H](CC(C)C)c1nnc([C@H]2C[C@H]2C)o1 ZINC001217715776 971351569 /nfs/dbraw/zinc/35/15/69/971351569.db2.gz ZCDQGEFJGBBNCO-KXUCPTDWSA-N 0 1 223.320 2.500 20 0 BEADMN CN[C@H](CC(C)C)c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217715775 971352918 /nfs/dbraw/zinc/35/29/18/971352918.db2.gz ZCDQGEFJGBBNCO-IVZWLZJFSA-N 0 1 223.320 2.500 20 0 BEADMN CCOC(=O)[C@H]1CCCN1CCCC1CC1 ZINC000406074132 971369631 /nfs/dbraw/zinc/36/96/31/971369631.db2.gz TUUOIMFERZZTFC-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN c1ncn2c1CN(C1CCCCC1)CC2 ZINC001257458794 971383115 /nfs/dbraw/zinc/38/31/15/971383115.db2.gz AYXWRBXVDYMBIJ-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN COc1ncnc2c1CCN(C1CCCCC1)C2 ZINC001257459749 971384478 /nfs/dbraw/zinc/38/44/78/971384478.db2.gz LEUJJIUTNJRIEE-UHFFFAOYSA-N 0 1 247.342 2.176 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001257480911 971403971 /nfs/dbraw/zinc/40/39/71/971403971.db2.gz HNWSYPCHQYLLEK-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CCN(C)C(=O)C1 ZINC001257476245 971399901 /nfs/dbraw/zinc/39/99/01/971399901.db2.gz KABZZDMJRREUMN-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)CC[C@H](C)N1CC(NC(C)=O)C1 ZINC001257483116 971408842 /nfs/dbraw/zinc/40/88/42/971408842.db2.gz UOSYJEXNFRRBSP-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@@H](C)n1c(C)nnc1CN ZINC001257509988 971429910 /nfs/dbraw/zinc/42/99/10/971429910.db2.gz YCUXYVMFYOBVOF-SECBINFHSA-N 0 1 210.325 2.187 20 0 BEADMN CCCCC[C@H](C)N1CC(=O)N(C)C[C@@H]1C ZINC001257520260 971444136 /nfs/dbraw/zinc/44/41/36/971444136.db2.gz RYGDEVRAMICXPV-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1F ZINC001277030414 1169585038 /nfs/dbraw/zinc/58/50/38/1169585038.db2.gz VEUJNQSALJSLSU-AOOOYVTPSA-N 0 1 238.281 2.248 20 0 BEADMN Clc1nccnc1CN[C@@H]1CCCSC1 ZINC001257657418 971460729 /nfs/dbraw/zinc/46/07/29/971460729.db2.gz AFZIKIJLWYYINL-MRVPVSSYSA-N 0 1 243.763 2.115 20 0 BEADMN Cc1sccc1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000328399141 971468520 /nfs/dbraw/zinc/46/85/20/971468520.db2.gz MEROZLDNLISZLZ-LDYMZIIASA-N 0 1 239.340 2.209 20 0 BEADMN CC1(C)CN([C@H]2CCCSC2)CCC1=O ZINC001257677009 971482076 /nfs/dbraw/zinc/48/20/76/971482076.db2.gz PJMBVWDTLUSEJK-JTQLQIEISA-N 0 1 227.373 2.183 20 0 BEADMN CC(C)OC1CCC(n2ccnc2CN)CC1 ZINC001257871453 971512670 /nfs/dbraw/zinc/51/26/70/971512670.db2.gz XFEGHGNQKLPERZ-UHFFFAOYSA-N 0 1 237.347 2.251 20 0 BEADMN CC(C)(C)c1ccc2c(c1)CC[N@H+](CC(=O)[O-])C2 ZINC000071494772 948989682 /nfs/dbraw/zinc/98/96/82/948989682.db2.gz NQBQXOOVRTUIMY-UHFFFAOYSA-N 0 1 247.338 2.427 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C/C(Cl)=C/Cl ZINC000086000687 949055568 /nfs/dbraw/zinc/05/55/68/949055568.db2.gz ZPVOUTSEFYDNTC-NGAMADIESA-N 0 1 226.103 2.100 20 0 BEADMN CC(C)[C@@H]1CCCCC[N@H+]1CCC(=O)[O-] ZINC000108329338 949216014 /nfs/dbraw/zinc/21/60/14/949216014.db2.gz CBFAJNANZLLXPP-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226975441 1169616170 /nfs/dbraw/zinc/61/61/70/1169616170.db2.gz YGRZBGZTVNNBDK-SECBINFHSA-N 0 1 247.298 2.276 20 0 BEADMN CC[C@H](COc1[nH]c(=O)nc2ccccc21)OC ZINC001226976691 1169617056 /nfs/dbraw/zinc/61/70/56/1169617056.db2.gz FIFGJTLJKOZYPA-SECBINFHSA-N 0 1 248.282 2.139 20 0 BEADMN CC[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)c1nccs1 ZINC000234032250 949811303 /nfs/dbraw/zinc/81/13/03/949811303.db2.gz MIJIJGHJVLSYNV-DTWKUNHWSA-N 0 1 240.328 2.047 20 0 BEADMN CC1(C)CCC(Oc2n[nH]c3c2CNCC3)CC1 ZINC001218211955 971629855 /nfs/dbraw/zinc/62/98/55/971629855.db2.gz NXKGXHOKVDOSFI-UHFFFAOYSA-N 0 1 249.358 2.403 20 0 BEADMN CCCCC[C@H](C)Oc1n[nH]c2c1CNCC2 ZINC001218212914 971630241 /nfs/dbraw/zinc/63/02/41/971630241.db2.gz WCULCUAFVRWSKR-JTQLQIEISA-N 0 1 237.347 2.403 20 0 BEADMN C[C@H](SCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000318755345 950935817 /nfs/dbraw/zinc/93/58/17/950935817.db2.gz ZRADPBBWVHMDIF-AXFHLTTASA-N 0 1 245.388 2.171 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1(OC)CCCCC1 ZINC000319375328 950956007 /nfs/dbraw/zinc/95/60/07/950956007.db2.gz YWVUCUBEOOEGHU-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN F[C@@H]1C[C@H]1N[C@H]1CSc2ccccc2C1 ZINC001172188445 974394881 /nfs/dbraw/zinc/39/48/81/974394881.db2.gz SRIVCLJWELNOOL-GMTAPVOTSA-N 0 1 223.316 2.403 20 0 BEADMN CC(C)SCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000380854285 971721930 /nfs/dbraw/zinc/72/19/30/971721930.db2.gz BSNPEXGJSWYURG-NSHDSACASA-N 0 1 245.388 2.457 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCCCF)C1CC1 ZINC000383084773 951235739 /nfs/dbraw/zinc/23/57/39/951235739.db2.gz UKLOZRLBKVRRND-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397487832 951563549 /nfs/dbraw/zinc/56/35/49/951563549.db2.gz JPFHXKHJWFMATO-SKDRFNHKSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCCCCF)C1 ZINC000398652462 951594810 /nfs/dbraw/zinc/59/48/10/951594810.db2.gz BLULQNGHCRFHRH-MNOVXSKESA-N 0 1 231.311 2.169 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CC(F)(F)C2)C1 ZINC000398760027 951606395 /nfs/dbraw/zinc/60/63/95/951606395.db2.gz BKRJNKZZYWFYDN-WPRPVWTQSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1=CCCC1)C1CC1 ZINC000401099645 951658339 /nfs/dbraw/zinc/65/83/39/951658339.db2.gz FRYNSXFZPMJOJM-VIFPVBQESA-N 0 1 209.289 2.034 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1=CCCC1 ZINC000401130370 951659711 /nfs/dbraw/zinc/65/97/11/951659711.db2.gz SMWNJZCHTIGRED-PWSUYJOCSA-N 0 1 223.316 2.282 20 0 BEADMN CCCC=Nc1nccnc1C(OC)OC ZINC001170767483 971767881 /nfs/dbraw/zinc/76/78/81/971767881.db2.gz QORHKSVVSVLNJV-AATRIKPKSA-N 0 1 223.276 2.104 20 0 BEADMN C[N@@H+](Cc1cncnc1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170768284 971770580 /nfs/dbraw/zinc/77/05/80/971770580.db2.gz WDHVHNMAFMJXPQ-CLLJXQQHSA-N 0 1 231.343 2.343 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H]2CC[C@H](C)C2)n1 ZINC001229438206 1169659084 /nfs/dbraw/zinc/65/90/84/1169659084.db2.gz DOVPWJGKBKJZAY-CBAPKCEASA-N 0 1 232.287 2.229 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2C=CCCC2)n1 ZINC001229438249 1169661231 /nfs/dbraw/zinc/66/12/31/1169661231.db2.gz FVNYAIQMDCQAGO-SECBINFHSA-N 0 1 230.271 2.149 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC001229438819 1169660728 /nfs/dbraw/zinc/66/07/28/1169660728.db2.gz WUSATRRKCNPXAJ-IVZWLZJFSA-N 0 1 242.282 2.005 20 0 BEADMN Cc1cccc2nc(OC[C@H]3C[C@H](O)C3)[nH]c21 ZINC001218426634 971805546 /nfs/dbraw/zinc/80/55/46/971805546.db2.gz YLNWIGXEWDXXHV-MGCOHNPYSA-N 0 1 232.283 2.021 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC(C)=C(C)C1 ZINC000382525414 971818743 /nfs/dbraw/zinc/81/87/43/971818743.db2.gz FRMUONMRJBQPQV-TWGQIWQCSA-N 0 1 209.289 2.059 20 0 BEADMN CN(C)Cc1cc(F)ccc1OC[C@H]1CCO1 ZINC001229854095 1169669440 /nfs/dbraw/zinc/66/94/40/1169669440.db2.gz KIEBRJQGJXDPOG-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(CN)o1 ZINC001330891718 974525176 /nfs/dbraw/zinc/52/51/76/974525176.db2.gz ISVCWJKKFRHJNJ-SECBINFHSA-N 0 1 236.315 2.141 20 0 BEADMN CC1(C)C[C@H](N2CC[C@@](C)(F)[C@H](F)C2)CO1 ZINC001172283985 974545243 /nfs/dbraw/zinc/54/52/43/974545243.db2.gz NZHGRJTYEWIOQV-HOSYDEDBSA-N 0 1 233.302 2.326 20 0 BEADMN c1ccc(OCNc2cccc3[nH]nnc32)cc1 ZINC001170806992 971863742 /nfs/dbraw/zinc/86/37/42/971863742.db2.gz WFMXBZGXCCPFPL-UHFFFAOYSA-N 0 1 240.266 2.406 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@H]1CCOC[C@H]1C ZINC001170815942 971895582 /nfs/dbraw/zinc/89/55/82/971895582.db2.gz AGOGDVORTVUWGY-NEPJUHHUSA-N 0 1 249.358 2.293 20 0 BEADMN Cc1cc2nccn2cc1N[C@H]1CCOC[C@@H]1C ZINC001170821916 971909338 /nfs/dbraw/zinc/90/93/38/971909338.db2.gz YZOJHQJOQVVFTO-RYUDHWBXSA-N 0 1 245.326 2.480 20 0 BEADMN C[C@@H]1COCC[C@@H]1Nc1cccn2cncc12 ZINC001170823771 971920275 /nfs/dbraw/zinc/92/02/75/971920275.db2.gz HDGITQRWJAKXKD-MNOVXSKESA-N 0 1 231.299 2.171 20 0 BEADMN C[C@H]1COCC[C@H]1Nc1ccc2nc[nH]c2c1 ZINC001170827326 971931327 /nfs/dbraw/zinc/93/13/27/971931327.db2.gz ZROCNJVKVYTOJV-GXSJLCMTSA-N 0 1 231.299 2.400 20 0 BEADMN c1ccc(OC2CN([C@H]3CCCOCC3)C2)cc1 ZINC001170828116 971936454 /nfs/dbraw/zinc/93/64/54/971936454.db2.gz TYUXZQILQNEMCC-ZDUSSCGKSA-N 0 1 247.338 2.319 20 0 BEADMN CCCN1CCN(C(=O)OC2CCCC2)CC1 ZINC000310126526 971946785 /nfs/dbraw/zinc/94/67/85/971946785.db2.gz WXDCTDFZPOVFJN-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN C[C@@H]1c2cccn2CCN1[C@H]1CCCOCC1 ZINC001170831158 971951235 /nfs/dbraw/zinc/95/12/35/971951235.db2.gz NHCLDKPOUQQKHI-OLZOCXBDSA-N 0 1 234.343 2.434 20 0 BEADMN CN(CC(=O)c1ccccc1)[C@@H]1CCCOCC1 ZINC001170834505 971953959 /nfs/dbraw/zinc/95/39/59/971953959.db2.gz MWZSAECIYNMVCO-CQSZACIVSA-N 0 1 247.338 2.370 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1C[C@@H](OC)[C@@H](F)C1 ZINC001172339554 974606082 /nfs/dbraw/zinc/60/60/82/974606082.db2.gz OYDNUMJWVVUMGW-MROQNXINSA-N 0 1 247.354 2.249 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172338406 974605033 /nfs/dbraw/zinc/60/50/33/974605033.db2.gz MMVOCURUSOLOSD-UPJWGTAASA-N 0 1 241.375 2.491 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1cccc(C(=O)[O-])n1 ZINC000385217265 971987958 /nfs/dbraw/zinc/98/79/58/971987958.db2.gz DHQJBXLABDMFFC-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN CC[C@](N)(CO)Nc1ccc(F)c2ccccc12 ZINC001170864812 971994676 /nfs/dbraw/zinc/99/46/76/971994676.db2.gz IREPNMQRBKELLQ-CQSZACIVSA-N 0 1 248.301 2.448 20 0 BEADMN CSCC[N@@H+](C)Cc1ccc(F)nc1 ZINC000189372858 972000656 /nfs/dbraw/zinc/00/06/56/972000656.db2.gz OQZVDTSAWGHJHD-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN CSCCN(C)Cc1ccc(F)nc1 ZINC000189372858 972000665 /nfs/dbraw/zinc/00/06/65/972000665.db2.gz OQZVDTSAWGHJHD-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN CC[C@@](N)(CO)Nc1cccc(C(F)(F)F)c1 ZINC001170865997 972006336 /nfs/dbraw/zinc/00/63/36/972006336.db2.gz RZQKVTMBXVIOAU-JTQLQIEISA-N 0 1 248.248 2.175 20 0 BEADMN CC[C@@](N)(CO)Nc1c(C)ccc(Cl)c1C ZINC001170866442 972003988 /nfs/dbraw/zinc/00/39/88/972003988.db2.gz SSVVVHFSFGPDNY-LBPRGKRZSA-N 0 1 242.750 2.426 20 0 BEADMN CC[C@](N)(CO)Nc1cccc(C2CCC2)c1 ZINC001170865936 972006391 /nfs/dbraw/zinc/00/63/91/972006391.db2.gz LAYZJAJAMZUSKH-CQSZACIVSA-N 0 1 234.343 2.423 20 0 BEADMN C[C@@H]([NH3+])CCNc1cc([S-])cc(S)c1 ZINC001170891458 972045821 /nfs/dbraw/zinc/04/58/21/972045821.db2.gz ZVCZNEODEFROCU-SSDOTTSWSA-N 0 1 228.386 2.413 20 0 BEADMN Cc1cc(CCC(=O)N(C)[C@H](C)C(C)C)n[nH]1 ZINC001136160090 972087028 /nfs/dbraw/zinc/08/70/28/972087028.db2.gz SKWGEXWRQRDINS-LLVKDONJSA-N 0 1 237.347 2.154 20 0 BEADMN CC[C@](N)(CO)Nc1nccc2ccc(C)cc21 ZINC001159744445 972094043 /nfs/dbraw/zinc/09/40/43/972094043.db2.gz VYYOXCQTQNIUQX-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CCn1[nH]c(Cc2cccc(OC)c2)cc1=O ZINC001245939025 972104508 /nfs/dbraw/zinc/10/45/08/972104508.db2.gz ARDDAJJRJMZDCV-UHFFFAOYSA-N 0 1 232.283 2.208 20 0 BEADMN Fc1cccc2c1C[C@H](NCc1ncco1)CC2 ZINC001170947853 972135047 /nfs/dbraw/zinc/13/50/47/972135047.db2.gz XZTNCPOFCSOCSN-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN COc1nc(OC)c(C2=CCCN(C)C2)cc1C ZINC001241571955 1169731150 /nfs/dbraw/zinc/73/11/50/1169731150.db2.gz LEKBTWZDCUESFO-UHFFFAOYSA-N 0 1 248.326 2.126 20 0 BEADMN CC(C)COc1ncc(C2=CCCN(C)C2)cn1 ZINC001241571646 1169731006 /nfs/dbraw/zinc/73/10/06/1169731006.db2.gz BSEUFIDQXWZSSU-UHFFFAOYSA-N 0 1 247.342 2.230 20 0 BEADMN COc1ccc(C2=CCCN(C)C2)nc1C ZINC001241571818 1169731836 /nfs/dbraw/zinc/73/18/36/1169731836.db2.gz GOOQYDZPVYXROK-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CC3(COC3)C1)CC2 ZINC001170987099 972210627 /nfs/dbraw/zinc/21/06/27/972210627.db2.gz ZFKLZOKXJSKGCR-LBPRGKRZSA-N 0 1 247.313 2.015 20 0 BEADMN Cc1ccc([C@@H](C)CCN2CC3(COC3)C2)o1 ZINC001208150362 957029795 /nfs/dbraw/zinc/02/97/95/957029795.db2.gz FGPDMEJRRIGSDM-NSHDSACASA-N 0 1 235.327 2.414 20 0 BEADMN CCCN(CC[C@H](C)SC)CC(=O)OCC ZINC001208152049 957037361 /nfs/dbraw/zinc/03/73/61/957037361.db2.gz FAIDMVFMYFVEKG-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN CC1=C[C@@H](C)[C@@H](CN2CCn3nncc3C2)CC1 ZINC001208182868 957068582 /nfs/dbraw/zinc/06/85/82/957068582.db2.gz VTTORSOOBNCMGG-CHWSQXEVSA-N 0 1 246.358 2.086 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC001136727451 972246456 /nfs/dbraw/zinc/24/64/56/972246456.db2.gz LGOYXWKJLSUJNJ-UMSPYCQHSA-N 0 1 249.358 2.346 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(C)c(C)n2)no1 ZINC000315966401 972255537 /nfs/dbraw/zinc/25/55/37/972255537.db2.gz XURHLLALZFKBMV-JTQLQIEISA-N 0 1 246.314 2.419 20 0 BEADMN C[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccncc1 ZINC000036776541 957234450 /nfs/dbraw/zinc/23/44/50/957234450.db2.gz FNIAJRBTBLQKPR-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccncc1 ZINC000036776541 957234460 /nfs/dbraw/zinc/23/44/60/957234460.db2.gz FNIAJRBTBLQKPR-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CCC(=O)C(C)(C)CN1CCOCC1(C)C ZINC001208916482 957238292 /nfs/dbraw/zinc/23/82/92/957238292.db2.gz KCJSTVKWTQHXBC-UHFFFAOYSA-N 0 1 227.348 2.103 20 0 BEADMN CC[C@H](C)CN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000037173943 957264629 /nfs/dbraw/zinc/26/46/29/957264629.db2.gz YPRFCQGVPQFIRQ-VIFPVBQESA-N 0 1 222.288 2.262 20 0 BEADMN C[C@H](SCC[C@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000037414889 957281162 /nfs/dbraw/zinc/28/11/62/957281162.db2.gz DUMJRPOFQQZHJI-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN CCN(CCNC(C)=O)Cc1csc(C)c1 ZINC001266368050 957395027 /nfs/dbraw/zinc/39/50/27/957395027.db2.gz QQUNSWCJPSLNJD-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])o1 ZINC000042163770 957405241 /nfs/dbraw/zinc/40/52/41/957405241.db2.gz OPNKJSOIPVWUJK-SNVBAGLBSA-N 0 1 223.272 2.027 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1F ZINC000043459121 957432528 /nfs/dbraw/zinc/43/25/28/957432528.db2.gz FBLOBURKFZZQBI-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@H](F)CC2)ccn1 ZINC001209637434 957518140 /nfs/dbraw/zinc/51/81/40/957518140.db2.gz GXUBYDGKFIJINR-LBPRGKRZSA-N 0 1 238.306 2.414 20 0 BEADMN COc1cc(C[N@H+]2CC[C@@](C)(CF)C2)ccn1 ZINC001209637557 957518232 /nfs/dbraw/zinc/51/82/32/957518232.db2.gz HUIRUBGEVJQCLO-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cc(CN2CC[C@@](C)(CF)C2)ccn1 ZINC001209637557 957518240 /nfs/dbraw/zinc/51/82/40/957518240.db2.gz HUIRUBGEVJQCLO-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cnc(N2CC[C@H]3OCC[C@@H]3C2)cc1C ZINC001167218958 957551571 /nfs/dbraw/zinc/55/15/71/957551571.db2.gz UOSBGTQLLNZRPF-CHWSQXEVSA-N 0 1 232.327 2.314 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000061174411 957577167 /nfs/dbraw/zinc/57/71/67/957577167.db2.gz WZZFXGKGRJCVNI-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC000062201708 957600430 /nfs/dbraw/zinc/60/04/30/957600430.db2.gz ICUXOCTUTWUXEQ-QMMMGPOBSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC000062201708 957600434 /nfs/dbraw/zinc/60/04/34/957600434.db2.gz ICUXOCTUTWUXEQ-QMMMGPOBSA-N 0 1 240.328 2.073 20 0 BEADMN CN[C@H](C)c1nc(-c2cnc(C)cc2C)no1 ZINC000397416761 957624809 /nfs/dbraw/zinc/62/48/09/957624809.db2.gz DTKURWGPGBIOCI-SECBINFHSA-N 0 1 232.287 2.029 20 0 BEADMN Cc1c(F)cc(-n2cncc2N)cc1F ZINC001210107677 957641573 /nfs/dbraw/zinc/64/15/73/957641573.db2.gz UVUOBYQYYSNZBF-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN Cn1cncc1Nc1cccc(F)c1O ZINC001210196636 957665451 /nfs/dbraw/zinc/66/54/51/957665451.db2.gz ZANRTEHRALVBSQ-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN C[C@@H]1C(=O)CCN(Cc2cnc[nH]2)C12CCCC2 ZINC001136875376 972285077 /nfs/dbraw/zinc/28/50/77/972285077.db2.gz XBFBSPHYAHTKKA-LLVKDONJSA-N 0 1 247.342 2.133 20 0 BEADMN COc1nc(Nc2cc(C)oc2C)cc(=O)[nH]1 ZINC001210279113 957706031 /nfs/dbraw/zinc/70/60/31/957706031.db2.gz JWQNMUTVXKDAGB-UHFFFAOYSA-N 0 1 235.243 2.144 20 0 BEADMN CCCCCN1CCN(C(=O)CCC)CC1 ZINC000240766987 957714905 /nfs/dbraw/zinc/71/49/05/957714905.db2.gz AUNROHYJTSVGLZ-UHFFFAOYSA-N 0 1 226.364 2.121 20 0 BEADMN CCOCC[C@H](C)NCc1nc(C)oc1C ZINC001172406635 974664139 /nfs/dbraw/zinc/66/41/39/974664139.db2.gz ODMMVQIDTYLYGB-VIFPVBQESA-N 0 1 226.320 2.196 20 0 BEADMN CCc1ccc(F)cc1C(=O)NCc1cnc[nH]1 ZINC001136879906 972292229 /nfs/dbraw/zinc/29/22/29/972292229.db2.gz AFYUIYMYHAWHAY-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN COc1cc(F)c(F)cc1Nc1cncn1C ZINC001210546170 957788415 /nfs/dbraw/zinc/78/84/15/957788415.db2.gz JOTXOXHEMDNSEW-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000084725350 957872853 /nfs/dbraw/zinc/87/28/53/957872853.db2.gz YDIGIJHPHKMQCA-DHJNVWGISA-N 0 1 211.305 2.138 20 0 BEADMN CCc1nccc(CN2CCC3(CC3)C2)n1 ZINC001207084255 957954006 /nfs/dbraw/zinc/95/40/06/957954006.db2.gz ODEFFKBYHYWRID-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN CN1CCC[C@H](N[C@@H]2CCCCC2(F)F)C1 ZINC000398011860 957971434 /nfs/dbraw/zinc/97/14/34/957971434.db2.gz DHKPHIUIAGPDDM-WDEREUQCSA-N 0 1 232.318 2.248 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000086807250 957994024 /nfs/dbraw/zinc/99/40/24/957994024.db2.gz VHBAIJNQUYXRTG-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc(F)c(O)c1 ZINC001211214421 958069289 /nfs/dbraw/zinc/06/92/89/958069289.db2.gz VKRUKUAXEZSASJ-UHFFFAOYSA-N 0 1 243.241 2.452 20 0 BEADMN Cn1cncc1Nc1cc(C(C)(C)C)nn1C ZINC001211246675 958102346 /nfs/dbraw/zinc/10/23/46/958102346.db2.gz KSDZTVVYKNINTJ-UHFFFAOYSA-N 0 1 233.319 2.195 20 0 BEADMN COC(=O)c1cc(Nc2cncn2C)cs1 ZINC001211246616 958102796 /nfs/dbraw/zinc/10/27/96/958102796.db2.gz HMGLYROVTCRCEQ-UHFFFAOYSA-N 0 1 237.284 2.012 20 0 BEADMN Cn1cncc1Nc1cnn(C(C)(C)C)c1 ZINC001211245219 958103150 /nfs/dbraw/zinc/10/31/50/958103150.db2.gz LERFIYCLRHSEFC-UHFFFAOYSA-N 0 1 219.292 2.115 20 0 BEADMN CCCc1cc(Nc2cncn2C)on1 ZINC001211244859 958104490 /nfs/dbraw/zinc/10/44/90/958104490.db2.gz GDMVIEWNKNHDHV-UHFFFAOYSA-N 0 1 206.249 2.104 20 0 BEADMN Cc1cnn(CC2CC2)c1Nc1cncn1C ZINC001211248536 958106860 /nfs/dbraw/zinc/10/68/60/958106860.db2.gz OAUMQTLEUXIYAH-UHFFFAOYSA-N 0 1 231.303 2.079 20 0 BEADMN Cn1cncc1Nc1cccc(-c2nnco2)c1 ZINC001211249684 958108954 /nfs/dbraw/zinc/10/89/54/958108954.db2.gz AMLSSIYIKKOFOG-UHFFFAOYSA-N 0 1 241.254 2.214 20 0 BEADMN COc1cc(Cl)cnc1Nc1cncn1C ZINC001211246995 958111202 /nfs/dbraw/zinc/11/12/02/958111202.db2.gz CSDKGOGOXYZNHQ-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1ccc(-n2ccnc2)cc1 ZINC001211248235 958113838 /nfs/dbraw/zinc/11/38/38/958113838.db2.gz KIWRGIJQVLZFSI-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN COC(=O)c1cc(Nc2cncn2C)ccc1F ZINC001211250180 958116709 /nfs/dbraw/zinc/11/67/09/958116709.db2.gz HIJPTVZIYVBWGN-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN Cc1cc2c(cccc2N)n1-c1cncn1C ZINC001211252826 958119600 /nfs/dbraw/zinc/11/96/00/958119600.db2.gz YOAWQCSBNNJFMJ-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN Cn1cncc1Nc1cccc2c1CCCO2 ZINC001211254378 958121667 /nfs/dbraw/zinc/12/16/67/958121667.db2.gz VBSLHUMFABNQKL-UHFFFAOYSA-N 0 1 229.283 2.489 20 0 BEADMN COc1cnccc1Nc1cnc(C)cc1C ZINC001211259841 958124634 /nfs/dbraw/zinc/12/46/34/958124634.db2.gz JUZDHMKSXNXVKZ-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN Cc1cccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])n1 ZINC000092431105 958164676 /nfs/dbraw/zinc/16/46/76/958164676.db2.gz KDFKWRULFGEJSY-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137012313 972327862 /nfs/dbraw/zinc/32/78/62/972327862.db2.gz YXEDXXKEQHRAHC-SSDOTTSWSA-N 0 1 233.237 2.270 20 0 BEADMN C[C@H]1CCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137011668 972328234 /nfs/dbraw/zinc/32/82/34/972328234.db2.gz BHCPBSMIZFLXTQ-LURJTMIESA-N 0 1 219.210 2.023 20 0 BEADMN Cc1cncc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001207154873 958233582 /nfs/dbraw/zinc/23/35/82/958233582.db2.gz FONVQMUTZUQWPA-AVGNSLFASA-N 0 1 220.291 2.180 20 0 BEADMN Cc1cncc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001207154875 958234472 /nfs/dbraw/zinc/23/44/72/958234472.db2.gz FONVQMUTZUQWPA-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)nc(F)c1 ZINC001213080269 958256004 /nfs/dbraw/zinc/25/60/04/958256004.db2.gz WIPUQMXWWUXOHR-UHFFFAOYSA-N 0 1 224.214 2.145 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000706888363 958270236 /nfs/dbraw/zinc/27/02/36/958270236.db2.gz LXISRBRJWMNNTD-SSDOTTSWSA-N 0 1 211.286 2.041 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000706888364 958270469 /nfs/dbraw/zinc/27/04/69/958270469.db2.gz LXISRBRJWMNNTD-ZETCQYMHSA-N 0 1 211.286 2.041 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000104426869 958366668 /nfs/dbraw/zinc/36/66/68/958366668.db2.gz RKLDUMPFRGJCBH-WXHSDQCUSA-N 0 1 233.311 2.400 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000693429132 958405619 /nfs/dbraw/zinc/40/56/19/958405619.db2.gz QLJJLJWNZLJYIN-XCBNKYQSSA-N 0 1 245.244 2.228 20 0 BEADMN C[C@H]1COC[C@H]1NCc1ccc(F)c(F)c1F ZINC000693429130 958407432 /nfs/dbraw/zinc/40/74/32/958407432.db2.gz QLJJLJWNZLJYIN-OIBJUYFYSA-N 0 1 245.244 2.228 20 0 BEADMN Cc1c[nH]c(CN[C@H](C)Cc2ccco2)n1 ZINC000693467640 958517257 /nfs/dbraw/zinc/51/72/57/958517257.db2.gz LRBQEQKEUNYQOP-SECBINFHSA-N 0 1 219.288 2.032 20 0 BEADMN C[N@H+]1CCC[C@@H](OCC(=O)c2cccs2)C1 ZINC001222082215 972359414 /nfs/dbraw/zinc/35/94/14/972359414.db2.gz QPRYGWGIMRBIOR-SNVBAGLBSA-N 0 1 239.340 2.042 20 0 BEADMN CN1CCC[C@@H](OCC(=O)c2cccs2)C1 ZINC001222082215 972359422 /nfs/dbraw/zinc/35/94/22/972359422.db2.gz QPRYGWGIMRBIOR-SNVBAGLBSA-N 0 1 239.340 2.042 20 0 BEADMN Cc1c(F)cc(F)cc1CN1C[C@H](O)C[C@H]1C ZINC001143757996 972361968 /nfs/dbraw/zinc/36/19/68/972361968.db2.gz UEAXWAVFNXDUEC-PRHODGIISA-N 0 1 241.281 2.228 20 0 BEADMN COCc1ccc(NCc2cnc[nH]2)cc1 ZINC000300840952 958770370 /nfs/dbraw/zinc/77/03/70/958770370.db2.gz JOCGKNZHVOZEAA-UHFFFAOYSA-N 0 1 217.272 2.168 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000707919359 958814598 /nfs/dbraw/zinc/81/45/98/958814598.db2.gz VHXBQQMSVPNSDH-NSHDSACASA-N 0 1 219.332 2.453 20 0 BEADMN FC[C@H]1CCCN1Cc1cccc2nonc21 ZINC001203143544 958834673 /nfs/dbraw/zinc/83/46/73/958834673.db2.gz YZIPBGQMXOFOLI-SNVBAGLBSA-N 0 1 235.262 2.157 20 0 BEADMN COc1ncc(Nc2c(C)ncn2C)cc1F ZINC001203404493 958845597 /nfs/dbraw/zinc/84/55/97/958845597.db2.gz FXYXXBYPEJBSNT-UHFFFAOYSA-N 0 1 236.250 2.015 20 0 BEADMN O[C@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000403750078 958847718 /nfs/dbraw/zinc/84/77/18/958847718.db2.gz OUMDOMBGTLDWNI-QMMMGPOBSA-N 0 1 224.131 2.152 20 0 BEADMN Cc1cc(C)nc(N2CCC(C(N)=S)CC2)c1 ZINC000708009694 958925347 /nfs/dbraw/zinc/92/53/47/958925347.db2.gz JMOAEJPIMZLSQJ-UHFFFAOYSA-N 0 1 249.383 2.201 20 0 BEADMN CC[C@H](CC(C)C)N1CC(OC(C)=O)C1 ZINC001172408945 974669200 /nfs/dbraw/zinc/66/92/00/974669200.db2.gz ZIDCWUCFVKABHR-LLVKDONJSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1cccc2[nH]c(C[N@@H+](C)CCC(=O)[O-])cc21 ZINC001594411551 958953671 /nfs/dbraw/zinc/95/36/71/958953671.db2.gz XOYZFAMWJLWFLI-UHFFFAOYSA-N 0 1 246.310 2.383 20 0 BEADMN CSc1ccccc1-c1cc2c(nn1)CNC2 ZINC001242943762 1169762607 /nfs/dbraw/zinc/76/26/07/1169762607.db2.gz BTMXFCJICQRZLF-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN CC(=O)CNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001167629634 959141325 /nfs/dbraw/zinc/14/13/25/959141325.db2.gz NEHGZZCIKBSAOB-CYBMUJFWSA-N 0 1 247.342 2.239 20 0 BEADMN CC(=O)CNc1ccc([C@H]2CCCCN2C)cn1 ZINC001167629634 959141336 /nfs/dbraw/zinc/14/13/36/959141336.db2.gz NEHGZZCIKBSAOB-CYBMUJFWSA-N 0 1 247.342 2.239 20 0 BEADMN Cc1cccnc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000161049386 959164739 /nfs/dbraw/zinc/16/47/39/959164739.db2.gz GGJAGZPKOJJLAP-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1[nH+]c(NC[C@@H]2C[C@@H]2C)ccc1C(=O)[O-] ZINC000167084611 959334612 /nfs/dbraw/zinc/33/46/12/959334612.db2.gz DIXLTWWRUPXTNV-CBAPKCEASA-N 0 1 220.272 2.156 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000724775716 959445205 /nfs/dbraw/zinc/44/52/05/959445205.db2.gz DNFMFIDXPVVDLD-VIFPVBQESA-N 0 1 233.237 2.102 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C/C(C)=C\C(=O)[O-] ZINC000215649349 959757078 /nfs/dbraw/zinc/75/70/78/959757078.db2.gz OLEHMRHJVSAIOR-IEHMKBBKSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)[C@H](C)C(C)(C)C ZINC000215640456 959758260 /nfs/dbraw/zinc/75/82/60/959758260.db2.gz LWGQPLVCGIGDSH-UJICNMFASA-N 0 1 213.321 2.384 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCCCC[C@@H]1C ZINC000216989826 959768849 /nfs/dbraw/zinc/76/88/49/959768849.db2.gz IREQHLWZDJVSCB-IEHMKBBKSA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])CC1(Cn2c[nH+]c3c2CCCC3)CC1 ZINC000216951623 959769063 /nfs/dbraw/zinc/76/90/63/959769063.db2.gz KIJIFZCWHPKOJK-UHFFFAOYSA-N 0 1 234.299 2.017 20 0 BEADMN CCOC(=O)CN1CC[C@H](C2CCCCC2)C1 ZINC000708851550 959919634 /nfs/dbraw/zinc/91/96/34/959919634.db2.gz ZZRKTYMKPVECKN-ZDUSSCGKSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@H]1CN(CC=C(Cl)Cl)C[C@@]1(C)CO ZINC000694654217 959948309 /nfs/dbraw/zinc/94/83/09/959948309.db2.gz KVWBOBDUGZCMCA-WPRPVWTQSA-N 0 1 238.158 2.256 20 0 BEADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1ccccn1 ZINC000228156304 959995994 /nfs/dbraw/zinc/99/59/94/959995994.db2.gz PRAXQBREFDSWIP-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN Cc1cc(=O)n(-c2c(F)cccc2F)[nH]1 ZINC000584907599 960000540 /nfs/dbraw/zinc/00/05/40/960000540.db2.gz QEYFUHCVPGTKGQ-UHFFFAOYSA-N 0 1 210.183 2.077 20 0 BEADMN Cc1nc(SCCc2c[nH]nn2)sc1C ZINC001327165009 972473215 /nfs/dbraw/zinc/47/32/15/972473215.db2.gz MGLXVOCXLHLHMY-UHFFFAOYSA-N 0 1 240.357 2.213 20 0 BEADMN Nc1cccc(F)c1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140877815 960027332 /nfs/dbraw/zinc/02/73/32/960027332.db2.gz WJLIWHJIYUYSDS-AUTRQRHGSA-N 0 1 238.281 2.340 20 0 BEADMN Cc1ccc2nc(OC[C@H]3C[C@H](O)C3)[nH]c2c1 ZINC001218426276 960089746 /nfs/dbraw/zinc/08/97/46/960089746.db2.gz QFAAHOGGZQMFGI-MGCOHNPYSA-N 0 1 232.283 2.021 20 0 BEADMN c1ncc(CN2CCC(c3ccccn3)CC2)o1 ZINC001140932045 960097306 /nfs/dbraw/zinc/09/73/06/960097306.db2.gz YHBXHQNPDZNJBW-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nonc1C ZINC000695154027 960118075 /nfs/dbraw/zinc/11/80/75/960118075.db2.gz TULXXQIDFLCSTA-VIFPVBQESA-N 0 1 211.309 2.292 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230270335 960136305 /nfs/dbraw/zinc/13/63/05/960136305.db2.gz GNCCDJMPPQTXMS-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN COC(C)(C)CC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000231032661 960183643 /nfs/dbraw/zinc/18/36/43/960183643.db2.gz APDKVXUXWNMYGD-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000232702327 960292564 /nfs/dbraw/zinc/29/25/64/960292564.db2.gz JJHDQDIIDALXLT-LLVKDONJSA-N 0 1 248.326 2.258 20 0 BEADMN CC1(CNc2cc(C(=O)[O-])cc[nH+]2)CCC1 ZINC000233040952 960313412 /nfs/dbraw/zinc/31/34/12/960313412.db2.gz RBQDZFAJLUKBHE-UHFFFAOYSA-N 0 1 220.272 2.382 20 0 BEADMN C[C@@H]1CCCN1Cn1cccnc1=S ZINC000173519640 960350274 /nfs/dbraw/zinc/35/02/74/960350274.db2.gz MUJVFTNVTDSOHG-SECBINFHSA-N 0 1 209.318 2.054 20 0 BEADMN Cc1ccnc(NC(C)(C)CCO)c1C ZINC001167741068 960388904 /nfs/dbraw/zinc/38/89/04/960388904.db2.gz NWWVTUNGEDJUDE-UHFFFAOYSA-N 0 1 208.305 2.271 20 0 BEADMN CC1CN(Cc2ccc(OC(F)F)c(O)c2)C1 ZINC001140625147 960464528 /nfs/dbraw/zinc/46/45/28/960464528.db2.gz UGGUULABZPSQKS-UHFFFAOYSA-N 0 1 243.253 2.445 20 0 BEADMN C[C@H]1CN(Cc2cccc3ccncc32)CCO1 ZINC001140640551 960471276 /nfs/dbraw/zinc/47/12/76/960471276.db2.gz OWXQSDWYKICDLW-LBPRGKRZSA-N 0 1 242.322 2.456 20 0 BEADMN CN(Cc1cccc2ccncc21)C1COC1 ZINC001140644080 960476668 /nfs/dbraw/zinc/47/66/68/960476668.db2.gz YCHQNXQWCGTUOQ-UHFFFAOYSA-N 0 1 228.295 2.065 20 0 BEADMN c1cc(CN2CCOc3ccccc3C2)c[nH]1 ZINC001140706349 960512021 /nfs/dbraw/zinc/51/20/21/960512021.db2.gz OTAXXQOMJSJYBF-UHFFFAOYSA-N 0 1 228.295 2.409 20 0 BEADMN COC(CN(C)Cc1coc2ccccc12)OC ZINC001140787165 960570450 /nfs/dbraw/zinc/57/04/50/960570450.db2.gz ZVUOXLYXTBANME-UHFFFAOYSA-N 0 1 249.310 2.484 20 0 BEADMN c1[nH]c2ccncc2c1CN1CCCCO1 ZINC001140802130 960591692 /nfs/dbraw/zinc/59/16/92/960591692.db2.gz OCHNRDHLNUHOPK-UHFFFAOYSA-N 0 1 217.272 2.090 20 0 BEADMN CO[C@H](c1nc([C@@H](N)C(C)C)no1)C1CCC1 ZINC000692753242 960596794 /nfs/dbraw/zinc/59/67/94/960596794.db2.gz UJMIYNVRWQDDRF-UWVGGRQHSA-N 0 1 239.319 2.213 20 0 BEADMN Cc1cc(CN2CCC(F)(F)[C@H](C)C2)n[nH]1 ZINC001203069787 960611184 /nfs/dbraw/zinc/61/11/84/960611184.db2.gz DJJMNULYECCRRJ-MRVPVSSYSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN2CCCC(F)(F)[C@@H](F)C2)n[nH]1 ZINC001203070353 960620202 /nfs/dbraw/zinc/62/02/02/960620202.db2.gz PNXRRHUOKLVYER-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN c1snnc1CN[C@@H]1CCCC12CCC2 ZINC000398322615 960640312 /nfs/dbraw/zinc/64/03/12/960640312.db2.gz XAJADBDOORLFDL-SNVBAGLBSA-N 0 1 223.345 2.351 20 0 BEADMN Cc1cc(CNc2nccc(C)c2C)nn1C ZINC001167766139 960691060 /nfs/dbraw/zinc/69/10/60/960691060.db2.gz KPPCGNHVNAKGNQ-UHFFFAOYSA-N 0 1 230.315 2.352 20 0 BEADMN CC[C@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000183946027 960691948 /nfs/dbraw/zinc/69/19/48/960691948.db2.gz BVPKJDGZYHFHPM-VIFPVBQESA-N 0 1 228.361 2.047 20 0 BEADMN Cc1nccnc1CN1CCC2(CC(F)C2)CC1 ZINC001140934343 960715421 /nfs/dbraw/zinc/71/54/21/960715421.db2.gz BJJHCVIOICHMFZ-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN Cc1cc(CN2CC(C)(C)OC(C)(C)C2)n[nH]1 ZINC001203080724 960720129 /nfs/dbraw/zinc/72/01/29/960720129.db2.gz BYDYTUCYYKIJOI-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCCC23CC3)o1 ZINC001140947458 960744437 /nfs/dbraw/zinc/74/44/37/960744437.db2.gz OUNSJIKHHBIBJD-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN CCN(Cc1cc(C)[nH]n1)Cc1ccccn1 ZINC001203081549 960746038 /nfs/dbraw/zinc/74/60/38/960746038.db2.gz BKWFHFUQDUOFBJ-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN C[N@@H+](Cc1cc(F)c([O-])c(F)c1)C1CC1 ZINC001140988212 960783046 /nfs/dbraw/zinc/78/30/46/960783046.db2.gz RZNWDMFJQRXSKS-UHFFFAOYSA-N 0 1 213.227 2.265 20 0 BEADMN c1coc(CN2CCc3ccccc3CC2)n1 ZINC001141009035 960808208 /nfs/dbraw/zinc/80/82/08/960808208.db2.gz UCILYNDITBAWAF-UHFFFAOYSA-N 0 1 228.295 2.275 20 0 BEADMN Oc1cccc2ccc(CN3CCC3)nc12 ZINC001141018762 960819805 /nfs/dbraw/zinc/81/98/05/960819805.db2.gz JQCMUORUNIZHTA-UHFFFAOYSA-N 0 1 214.268 2.146 20 0 BEADMN Cc1ncoc1CN1CCC(CF)CC1 ZINC001141053049 960845279 /nfs/dbraw/zinc/84/52/79/960845279.db2.gz ZXAVDEWDJMNQMO-UHFFFAOYSA-N 0 1 212.268 2.165 20 0 BEADMN Cc1ccc([C@@H]2CCCN2Cc2cn[nH]c2)cn1 ZINC001203096637 960871645 /nfs/dbraw/zinc/87/16/45/960871645.db2.gz FSPVQPTUURDLHC-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CC1CN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001141154320 960892070 /nfs/dbraw/zinc/89/20/70/960892070.db2.gz UNXIWBNNQLFMGN-UHFFFAOYSA-N 0 1 241.237 2.460 20 0 BEADMN CC1(C)CC(=O)CC[C@@H]1OCc1cnc[nH]1 ZINC001223000240 960895988 /nfs/dbraw/zinc/89/59/88/960895988.db2.gz MDFAJMFNWMZXQG-NSHDSACASA-N 0 1 222.288 2.074 20 0 BEADMN O=C(NCc1ccc2nc[nH]c2c1)c1ccoc1 ZINC001141229884 960994164 /nfs/dbraw/zinc/99/41/64/960994164.db2.gz VOKYEPCYKXJVQL-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN CCOC(=O)C1CN(Cc2ccccc2CC)C1 ZINC001141227027 960994924 /nfs/dbraw/zinc/99/49/24/960994924.db2.gz QWAUCZZAKNCZNS-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN CCc1ccccc1CN1C[C@@H]2C[C@H]1CO2 ZINC001141226888 960995480 /nfs/dbraw/zinc/99/54/80/960995480.db2.gz OGWDKXIZCDAGPG-KBPBESRZSA-N 0 1 217.312 2.222 20 0 BEADMN Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000258799967 961063460 /nfs/dbraw/zinc/06/34/60/961063460.db2.gz DHHCUOIVICQPDM-UONOGXRCSA-N 0 1 247.338 2.456 20 0 BEADMN FC(F)(F)c1ncc(CN2CCCCC2)cn1 ZINC001141451174 961068877 /nfs/dbraw/zinc/06/88/77/961068877.db2.gz IDWQJOHPBSUYKC-UHFFFAOYSA-N 0 1 245.248 2.481 20 0 BEADMN CC(C)N(C)Cc1cnc(C(F)(F)F)nc1 ZINC001141451584 961069002 /nfs/dbraw/zinc/06/90/02/961069002.db2.gz RIPSIUUZOIKMEV-UHFFFAOYSA-N 0 1 233.237 2.336 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cn2c(n1)COCC2 ZINC001141525817 961086975 /nfs/dbraw/zinc/08/69/75/961086975.db2.gz VOCSWDUQTAJODK-RYUDHWBXSA-N 0 1 249.358 2.176 20 0 BEADMN c1c(CN2CCCCCCC2)nc2n1CCOC2 ZINC001141535330 961098041 /nfs/dbraw/zinc/09/80/41/961098041.db2.gz YMPTYCRXCWWGID-UHFFFAOYSA-N 0 1 249.358 2.179 20 0 BEADMN C[C@@H]1CCN(Cc2cn3c(n2)COCC3)[C@H](C)C1 ZINC001141534854 961099504 /nfs/dbraw/zinc/09/95/04/961099504.db2.gz DOMBRCSTEPKXSS-VXGBXAGGSA-N 0 1 249.358 2.034 20 0 BEADMN CC(=O)OCc1ccc(CN2CCC[C@H]3C[C@H]32)o1 ZINC001141793451 961149874 /nfs/dbraw/zinc/14/98/74/961149874.db2.gz AJERKJCDQKBTNR-SMDDNHRTSA-N 0 1 249.310 2.327 20 0 BEADMN CCC[C@H](C)NC(=O)c1ccc(CN(C)C)nc1 ZINC001141829344 961160223 /nfs/dbraw/zinc/16/02/23/961160223.db2.gz IBNLURMZRBIYDN-NSHDSACASA-N 0 1 249.358 2.062 20 0 BEADMN Cc1cc(CCC(=O)NC2(C)CCCCC2)n[nH]1 ZINC001142049363 961227572 /nfs/dbraw/zinc/22/75/72/961227572.db2.gz PSVNUYAFYIJQED-UHFFFAOYSA-N 0 1 249.358 2.490 20 0 BEADMN C[C@@H]1CCN(c2cc(C(=O)[O-])cc[nH+]2)C[C@H]1C ZINC000253076674 961298030 /nfs/dbraw/zinc/29/80/30/961298030.db2.gz RLQJFUCJKMNZMQ-NXEZZACHSA-N 0 1 234.299 2.262 20 0 BEADMN C[C@]1(C(=O)Nc2cccnc2CN)CC=CCC1 ZINC001142552093 961489054 /nfs/dbraw/zinc/48/90/54/961489054.db2.gz NMOGIDHQRLPLRW-AWEZNQCLSA-N 0 1 245.326 2.225 20 0 BEADMN C[C@@H]1CC(=O)CCN1Cc1cccc2nc[nH]c21 ZINC001142673044 961585884 /nfs/dbraw/zinc/58/58/84/961585884.db2.gz WOSRRNFEGCMCKG-SNVBAGLBSA-N 0 1 243.310 2.116 20 0 BEADMN FC(F)C1CN(Cc2cccc3[nH]cnc32)C1 ZINC001142696239 961638628 /nfs/dbraw/zinc/63/86/28/961638628.db2.gz JEBLBGHULKRKPS-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN Fc1cccc(C2(N[C@H]3C[C@H]4C[C@H]4C3)COC2)c1 ZINC001167903968 961710309 /nfs/dbraw/zinc/71/03/09/961710309.db2.gz ZCFWSFNXDKURTF-YABSGUDNSA-N 0 1 247.313 2.439 20 0 BEADMN Cc1cccc2nc(NC(=O)C(F)F)[nH]c21 ZINC001142781789 961743288 /nfs/dbraw/zinc/74/32/88/961743288.db2.gz ODHJWDVWVOLYMS-UHFFFAOYSA-N 0 1 225.198 2.075 20 0 BEADMN Oc1cc(F)c(-c2ncnc3[nH]cnc32)cc1F ZINC001206748985 961757556 /nfs/dbraw/zinc/75/75/56/961757556.db2.gz RSJIAAUHJHRHBC-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN Cc1cncc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000300272146 961787655 /nfs/dbraw/zinc/78/76/55/961787655.db2.gz KUPVEKOOXBYWAH-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN COc1cc(C)c(CN2CC(C)(CO)C2)c(C)c1 ZINC001142933547 961837895 /nfs/dbraw/zinc/83/78/95/961837895.db2.gz UTNIVHVPIYGSKU-UHFFFAOYSA-N 0 1 249.354 2.126 20 0 BEADMN COc1cc(C)cc(C[N@@H+]2CC[C@H](OC)C2)c1 ZINC001143150711 961887923 /nfs/dbraw/zinc/88/79/23/961887923.db2.gz UNIMCZZUCZKIKV-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CC[C@H](CC)C1 ZINC000092899255 961944666 /nfs/dbraw/zinc/94/46/66/961944666.db2.gz UIJVUECSNZUHTL-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)c1cccnc1CN[C@@H]1CC[C@@H](C)C1 ZINC000302263729 961981862 /nfs/dbraw/zinc/98/18/62/961981862.db2.gz CBTFHSMTOSKAPZ-GHMZBOCLSA-N 0 1 248.326 2.146 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@H]1CCC(C)(C)C1 ZINC000361174846 962218481 /nfs/dbraw/zinc/21/84/81/962218481.db2.gz HEQDWGURUPRNOR-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1ccn2cncc2c1 ZINC001151909573 962354364 /nfs/dbraw/zinc/35/43/64/962354364.db2.gz TZCAEZCDSCQZOM-GFCCVEGCSA-N 0 1 241.294 2.007 20 0 BEADMN CC[C@@H]1CCCCN1CC(=O)OC(C)C ZINC000049633285 962648785 /nfs/dbraw/zinc/64/87/85/962648785.db2.gz UIYNTBOSKNSGED-LLVKDONJSA-N 0 1 213.321 2.203 20 0 BEADMN C[C@@H](NC(=O)Cc1cnc[nH]1)C1CCCCCC1 ZINC001153923723 962660124 /nfs/dbraw/zinc/66/01/24/962660124.db2.gz JCPLLBKHSGCGNU-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)Nc1nnc(C)[nH]1 ZINC000878929017 962785034 /nfs/dbraw/zinc/78/50/34/962785034.db2.gz BGFHLJXYDWEXMU-SKDRFNHKSA-N 0 1 236.319 2.268 20 0 BEADMN CC(C)Oc1ccnc(NCc2nccn2C)c1 ZINC001154615450 962808964 /nfs/dbraw/zinc/80/89/64/962808964.db2.gz KUEHIKDCAHOFLH-UHFFFAOYSA-N 0 1 246.314 2.214 20 0 BEADMN c1cc(NCC2COC2)nc2c1CCCC2 ZINC001154634124 962818969 /nfs/dbraw/zinc/81/89/69/962818969.db2.gz JZUIWYUMUJBBDP-UHFFFAOYSA-N 0 1 218.300 2.019 20 0 BEADMN CCc1coc(CNc2ncc(C)cc2N)n1 ZINC001154779474 962848297 /nfs/dbraw/zinc/84/82/97/962848297.db2.gz LKYBXSGUKCARBM-UHFFFAOYSA-N 0 1 232.287 2.135 20 0 BEADMN CC[C@@H](C)NC(=O)c1cc2cn[nH]c2cc1OC ZINC001154800858 962850712 /nfs/dbraw/zinc/85/07/12/962850712.db2.gz QETKLYKXDDNBQJ-MRVPVSSYSA-N 0 1 247.298 2.100 20 0 BEADMN FC1CC(Nc2ccc3c(n2)CCC3)C1 ZINC001154833147 962864750 /nfs/dbraw/zinc/86/47/50/962864750.db2.gz QGFPVGSKAKLHJD-UHFFFAOYSA-N 0 1 206.264 2.483 20 0 BEADMN OC[C@H]1C[C@@H](Nc2ccc3c(n2)CCCC3)C1 ZINC000712373224 962870159 /nfs/dbraw/zinc/87/01/59/962870159.db2.gz YXEMEOPMRFHNQT-KLPPZKSPSA-N 0 1 232.327 2.143 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1[C@H]1C=CCCC1 ZINC000300056570 962975011 /nfs/dbraw/zinc/97/50/11/962975011.db2.gz REOKBFPUXKBLBY-UTUOFQBUSA-N 0 1 223.316 2.280 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300055065 962975467 /nfs/dbraw/zinc/97/54/67/962975467.db2.gz ABOMSGPNRLPLOJ-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN COC(=O)Cc1cccc(NC(=N)C(C)(C)C)n1 ZINC001155181082 963006280 /nfs/dbraw/zinc/00/62/80/963006280.db2.gz GSVGVGJAJFQZRH-UHFFFAOYSA-N 0 1 249.314 2.232 20 0 BEADMN CCC(=O)N[C@H]1CCN(C/C=C\Cl)[C@@H]1CC ZINC001087478265 963068946 /nfs/dbraw/zinc/06/89/46/963068946.db2.gz IFBMYYGHUSYJQH-OJTYSEKASA-N 0 1 244.766 2.118 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928452517 963131455 /nfs/dbraw/zinc/13/14/55/963131455.db2.gz IDHXUYLUKVUKGX-FRRDWIJNSA-N 0 1 240.391 2.412 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928452514 963132352 /nfs/dbraw/zinc/13/23/52/963132352.db2.gz IDHXUYLUKVUKGX-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H](C)Nc1ccc2c(n1)NCCO2 ZINC001168003413 963241125 /nfs/dbraw/zinc/24/11/25/963241125.db2.gz MKAKLVVXCYGCJJ-MRVPVSSYSA-N 0 1 207.277 2.096 20 0 BEADMN CC[C@H](C)Nc1cc(O[C@@H]2CCOC2)ccn1 ZINC001168004238 963247289 /nfs/dbraw/zinc/24/72/89/963247289.db2.gz VDSFNVRWVAGBSD-CMPLNLGQSA-N 0 1 236.315 2.460 20 0 BEADMN C[C@H](NCc1ccc[nH]c1=O)c1ccns1 ZINC001354256097 963362955 /nfs/dbraw/zinc/36/29/55/963362955.db2.gz MVNKVDQFFITDSU-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN CCOc1ccnc(N2Cc3ncsc3C2)c1 ZINC001156833530 963468229 /nfs/dbraw/zinc/46/82/29/963468229.db2.gz QXLJIAXTLVFGBX-UHFFFAOYSA-N 0 1 247.323 2.457 20 0 BEADMN Clc1cc(N2CC3CC(C3)C2)c2nc[nH]c2n1 ZINC001156892933 963483938 /nfs/dbraw/zinc/48/39/38/963483938.db2.gz YEIYWAYAQBPVHO-UHFFFAOYSA-N 0 1 248.717 2.458 20 0 BEADMN CCCC[C@@H]([NH2+]Cc1oc(C)nc1C)C(=O)[O-] ZINC000311801586 963512624 /nfs/dbraw/zinc/51/26/24/963512624.db2.gz UITNIUOQWRHGRD-SNVBAGLBSA-N 0 1 240.303 2.024 20 0 BEADMN C=Cc1ccc(NCCN2CCSCC2)nc1 ZINC001157045514 963518362 /nfs/dbraw/zinc/51/83/62/963518362.db2.gz KLTRZDXVKURJAX-UHFFFAOYSA-N 0 1 249.383 2.185 20 0 BEADMN C[C@H](Oc1ncnc2nc[nH]c21)C1CCCC1 ZINC001227535045 963532492 /nfs/dbraw/zinc/53/24/92/963532492.db2.gz QOVCDZIOHVJXIR-QMMMGPOBSA-N 0 1 232.287 2.310 20 0 BEADMN CCCCCN(C)Cc1cncc(C)n1 ZINC001203162175 963558051 /nfs/dbraw/zinc/55/80/51/963558051.db2.gz SQHLRIXBQPNUBU-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN Cc1cnc(NC[C@H]2C[C@H](F)C2)c(N)c1 ZINC001157456255 963614141 /nfs/dbraw/zinc/61/41/41/963614141.db2.gz DNODEEOSKKPHGT-KYZUINATSA-N 0 1 209.268 2.132 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1coc(-c2ccccc2)n1 ZINC000342224280 963627189 /nfs/dbraw/zinc/62/71/89/963627189.db2.gz NCSVCXFJYAQGED-GHMZBOCLSA-N 0 1 246.310 2.201 20 0 BEADMN CC(C)N1CC(Nc2cc(C3CC3)ccn2)C1 ZINC001157532160 963646380 /nfs/dbraw/zinc/64/63/80/963646380.db2.gz VHAKDUKHHAQULZ-UHFFFAOYSA-N 0 1 231.343 2.464 20 0 BEADMN CC(C)(C)n1cc(-c2cc(N)ccn2)cn1 ZINC000714318329 963656846 /nfs/dbraw/zinc/65/68/46/963656846.db2.gz OCUBIAJQNDRNBM-UHFFFAOYSA-N 0 1 216.288 2.282 20 0 BEADMN CSC(C)(C)CN[C@@H](C)c1ncco1 ZINC000925190074 963677124 /nfs/dbraw/zinc/67/71/24/963677124.db2.gz HOAWVWFZAKVRFM-QMMMGPOBSA-N 0 1 214.334 2.467 20 0 BEADMN Cc1ccc(NCc2ccn(C)c(=O)c2)nc1C ZINC001157611771 963679781 /nfs/dbraw/zinc/67/97/81/963679781.db2.gz CNIMWONIVIXXTR-UHFFFAOYSA-N 0 1 243.310 2.009 20 0 BEADMN C=C/C=C\CC(=O)N1CCN(CC)C[C@@H]1CC ZINC001157818265 963735463 /nfs/dbraw/zinc/73/54/63/963735463.db2.gz NVLKZEFTJWQPGI-WSROAFLRSA-N 0 1 236.359 2.061 20 0 BEADMN C=C/C=C/CC(=O)N1CCN(CC)C[C@@H]1CC ZINC001157818262 963736410 /nfs/dbraw/zinc/73/64/10/963736410.db2.gz NVLKZEFTJWQPGI-GWJCSSMESA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(C(C)(C)C)cn1 ZINC001158170176 963818391 /nfs/dbraw/zinc/81/83/91/963818391.db2.gz WUTASHDXPKMIHX-UHFFFAOYSA-N 0 1 244.342 2.332 20 0 BEADMN CCSc1ccnc(-n2c(C)cnc2CN)c1 ZINC001158169461 963818420 /nfs/dbraw/zinc/81/84/20/963818420.db2.gz MCVLPIUSXPXUIH-UHFFFAOYSA-N 0 1 248.355 2.146 20 0 BEADMN C[C@@H]1C[C@@H](N2CCn3cccc3[C@@H]2C)CCO1 ZINC001168138490 963838606 /nfs/dbraw/zinc/83/86/06/963838606.db2.gz QGZSOEDUEAYHCO-AGIUHOORSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1C[C@H](N2CCn3cccc3[C@H]2C)CCO1 ZINC001168138492 963838850 /nfs/dbraw/zinc/83/88/50/963838850.db2.gz QGZSOEDUEAYHCO-JHJVBQTASA-N 0 1 234.343 2.432 20 0 BEADMN CCc1cc(CN2CCC(COC)CC2)on1 ZINC001203213197 963857738 /nfs/dbraw/zinc/85/77/38/963857738.db2.gz VSHIQQKTQSDGPE-UHFFFAOYSA-N 0 1 238.331 2.095 20 0 BEADMN c1cc(Nc2ccnc(OCC3CC3)c2)ccn1 ZINC001213013273 963858138 /nfs/dbraw/zinc/85/81/38/963858138.db2.gz LVIWMWMCPJBRIX-UHFFFAOYSA-N 0 1 241.294 2.431 20 0 BEADMN CC(C)c1ccc(N2CC[N@H+]3CC[C@@H]3C2)nc1 ZINC001158433436 963875828 /nfs/dbraw/zinc/87/58/28/963875828.db2.gz NTVNGDLGGAUMHG-CYBMUJFWSA-N 0 1 231.343 2.099 20 0 BEADMN O=c1cc(CNc2cc(C3CC3)cc[nH+]2)o[n-]1 ZINC001158563224 963887192 /nfs/dbraw/zinc/88/71/92/963887192.db2.gz CQCSLBXLUZRUSR-UHFFFAOYSA-N 0 1 231.255 2.265 20 0 BEADMN CCOc1ccnc(N[C@@H](C)c2cnccn2)c1 ZINC001158596372 963890427 /nfs/dbraw/zinc/89/04/27/963890427.db2.gz GAWHCJWGYJSRDA-JTQLQIEISA-N 0 1 244.298 2.443 20 0 BEADMN CCOc1ccnc(N[C@H](C)c2cnccn2)c1 ZINC001158596374 963891188 /nfs/dbraw/zinc/89/11/88/963891188.db2.gz GAWHCJWGYJSRDA-SNVBAGLBSA-N 0 1 244.298 2.443 20 0 BEADMN COC(=O)c1scc(C)c1N=C1CCOC1 ZINC001203380828 963898069 /nfs/dbraw/zinc/89/80/69/963898069.db2.gz USZVCSULXKYHDZ-UHFFFAOYSA-N 0 1 239.296 2.169 20 0 BEADMN CC=CC=CC(=O)NCc1ccc2nc[nH]c2c1 ZINC001158836870 963940507 /nfs/dbraw/zinc/94/05/07/963940507.db2.gz BWEHSUQFLOBPNN-IAROGAJJSA-N 0 1 241.294 2.311 20 0 BEADMN Cc1cncc(CN2CCCC(F)(F)CC2)n1 ZINC001203162459 964062093 /nfs/dbraw/zinc/06/20/93/964062093.db2.gz XKYSIOYYMZPYGC-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN CCOc1ccnc(N[C@H]2CCOC[C@@H]2C)c1 ZINC001159711885 964162816 /nfs/dbraw/zinc/16/28/16/964162816.db2.gz USFTUAIBJGOTKU-JQWIXIFHSA-N 0 1 236.315 2.317 20 0 BEADMN Cc1nc(CN[C@H](C)Cc2ccncc2)c(C)o1 ZINC001256715682 1169835643 /nfs/dbraw/zinc/83/56/43/1169835643.db2.gz GIDRHRQWSWXIBR-SNVBAGLBSA-N 0 1 245.326 2.407 20 0 BEADMN CC[C@](N)(CO)Nc1cc(C)c2ccccc2n1 ZINC001159743467 964174606 /nfs/dbraw/zinc/17/46/06/964174606.db2.gz GGFJOEDIIKLRPP-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN COc1ccnc(N[C@H](C)c2ncc(F)cn2)c1 ZINC001159959227 964232479 /nfs/dbraw/zinc/23/24/79/964232479.db2.gz JVQXXHLZXFBXKJ-MRVPVSSYSA-N 0 1 248.261 2.192 20 0 BEADMN Cc1cnc(NCCc2cnc(N)s2)c(C)c1 ZINC001160378847 964295796 /nfs/dbraw/zinc/29/57/96/964295796.db2.gz OWTHZRLWYJITJA-UHFFFAOYSA-N 0 1 248.355 2.392 20 0 BEADMN C[C@H](Cc1ccncc1)N1CC(C(F)F)C1 ZINC001256748983 1169837819 /nfs/dbraw/zinc/83/78/19/1169837819.db2.gz AFHUCDNWLVQBIE-SECBINFHSA-N 0 1 226.270 2.210 20 0 BEADMN Nc1nccc(NC2CC3(C2)CC(F)(F)C3)n1 ZINC001160591749 964346920 /nfs/dbraw/zinc/34/69/20/964346920.db2.gz WEQFZNNHOOPOGL-UHFFFAOYSA-N 0 1 240.257 2.049 20 0 BEADMN O=c1ccc(CNc2cccn3cncc23)c[nH]1 ZINC001168304526 964397209 /nfs/dbraw/zinc/39/72/09/964397209.db2.gz HFBMPKOSBKKJOU-UHFFFAOYSA-N 0 1 240.266 2.047 20 0 BEADMN Cn1ccnc1Nc1cccc2[nH]cnc21 ZINC001213026398 964412450 /nfs/dbraw/zinc/41/24/50/964412450.db2.gz XMWBEXYFKJZTTJ-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN CCOc1cc(C)c(NC2CN(C(C)C)C2)cn1 ZINC001168313609 964413333 /nfs/dbraw/zinc/41/33/33/964413333.db2.gz AECGKPYDEPLFJO-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN COC(=N)c1cccc(NC2CN(C(C)C)C2)c1 ZINC001168313809 964417229 /nfs/dbraw/zinc/41/72/29/964417229.db2.gz FCNRMPOOONUCFR-UHFFFAOYSA-N 0 1 247.342 2.163 20 0 BEADMN COc1cccc(NC2CN(C(C)C)C2)c1 ZINC001168315652 964421000 /nfs/dbraw/zinc/42/10/00/964421000.db2.gz VQQVMYZZDCBQTO-UHFFFAOYSA-N 0 1 220.316 2.200 20 0 BEADMN CCCN(CCC)C(=O)[C@H]1NCc2ccccc21 ZINC001160858481 964423613 /nfs/dbraw/zinc/42/36/13/964423613.db2.gz FRMHDVFIGZOMMS-AWEZNQCLSA-N 0 1 246.354 2.480 20 0 BEADMN Cc1nc2cc(NC3CN(C(C)C)C3)cnc2o1 ZINC001168317480 964434811 /nfs/dbraw/zinc/43/48/11/964434811.db2.gz NLMASIOPWWMIRQ-UHFFFAOYSA-N 0 1 246.314 2.036 20 0 BEADMN CCC1(Nc2ccc3nc[nH]c3c2)COC1 ZINC001168324959 964446988 /nfs/dbraw/zinc/44/69/88/964446988.db2.gz BZBDFGFXJYBELH-UHFFFAOYSA-N 0 1 217.272 2.154 20 0 BEADMN C[C@H]1CN(C(=O)[C@H](N)c2ccccc2)C2(CC2)C1 ZINC001160964120 964463832 /nfs/dbraw/zinc/46/38/32/964463832.db2.gz ONHCGEFGUPPGBI-DGCLKSJQSA-N 0 1 244.338 2.087 20 0 BEADMN CCC1(CNc2ccnc3c2ccn3C)COC1 ZINC001168331008 964464760 /nfs/dbraw/zinc/46/47/60/964464760.db2.gz TVLVFLOBHHKEOS-UHFFFAOYSA-N 0 1 245.326 2.412 20 0 BEADMN Cc1cnc(NC[C@H]2C[C@@](C)(O)C2)c2[nH]ccc21 ZINC001168340588 964476159 /nfs/dbraw/zinc/47/61/59/964476159.db2.gz SLILRDITJRMOCM-WJONMLJTSA-N 0 1 245.326 2.444 20 0 BEADMN Cn1ccc2c1nccc2NC[C@H]1C[C@@](C)(O)C1 ZINC001168344865 964487406 /nfs/dbraw/zinc/48/74/06/964487406.db2.gz UGRGYWLJFFIZCM-WJONMLJTSA-N 0 1 245.326 2.146 20 0 BEADMN CC1(C)CC[C@@H](Nc2ncc3c(n2)CNC3)C1 ZINC001161034132 964491299 /nfs/dbraw/zinc/49/12/99/964491299.db2.gz ZVSWHHVQEMTISO-SNVBAGLBSA-N 0 1 232.331 2.070 20 0 BEADMN Cc1cc2nccn2cc1NC1CSC1 ZINC001168364142 964682823 /nfs/dbraw/zinc/68/28/23/964682823.db2.gz JRSYJZGOCDOZBZ-UHFFFAOYSA-N 0 1 219.313 2.170 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CC2CCN1CC2 ZINC001142624144 964708062 /nfs/dbraw/zinc/70/80/62/964708062.db2.gz JHWJLZGATWBRTH-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc2nccn2cc1NCCOC(C)C ZINC001161788611 964758262 /nfs/dbraw/zinc/75/82/62/964758262.db2.gz IEBCWYCRQJGRAU-UHFFFAOYSA-N 0 1 233.315 2.480 20 0 BEADMN Cc1ccc(C)c(NC2CCOCC2)n1 ZINC001161858777 964795219 /nfs/dbraw/zinc/79/52/19/964795219.db2.gz GBTZAFOTQBHTGF-UHFFFAOYSA-N 0 1 206.289 2.289 20 0 BEADMN Cc1cc2cc[nH]c2c(NCc2ccnn2C)n1 ZINC001161870990 964802408 /nfs/dbraw/zinc/80/24/08/964802408.db2.gz MQCSMUJBHYOQMO-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCc1ccnn1C ZINC001161874027 964803541 /nfs/dbraw/zinc/80/35/41/964803541.db2.gz MAQCCXBBASWPLS-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1cccnc1CNc1cc(N)c(F)cn1 ZINC001161881871 964805464 /nfs/dbraw/zinc/80/54/64/964805464.db2.gz SDDBDBYAFFWHPX-UHFFFAOYSA-N 0 1 232.262 2.118 20 0 BEADMN Cn1nccc1CNc1cc2nc[nH]c2cc1F ZINC001161877172 964805545 /nfs/dbraw/zinc/80/55/45/964805545.db2.gz ZHRFBDHWHFCKAI-UHFFFAOYSA-N 0 1 245.261 2.048 20 0 BEADMN Cc1ccc(C)c(NCCN2CCCCC2=O)n1 ZINC001161936019 964823569 /nfs/dbraw/zinc/82/35/69/964823569.db2.gz VJDKVOCWGHPURS-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN Cc1cc(NC2CC2)nc(NC2CC(F)C2)n1 ZINC001162207672 964867863 /nfs/dbraw/zinc/86/78/63/964867863.db2.gz LXDSBTKAFLRFOF-UHFFFAOYSA-N 0 1 236.294 2.272 20 0 BEADMN Cc1nc(NC2CN(C(C)(C)C)C2)ccc1F ZINC001162220165 964878968 /nfs/dbraw/zinc/87/89/68/964878968.db2.gz KOOOQEHPSSYZDS-UHFFFAOYSA-N 0 1 237.322 2.424 20 0 BEADMN Fc1ccc2nc(NCc3nnc[nH]3)sc2c1 ZINC001162274101 964899948 /nfs/dbraw/zinc/89/99/48/964899948.db2.gz YXHHWGODYJQQPG-UHFFFAOYSA-N 0 1 249.274 2.166 20 0 BEADMN Cc1oncc1CNc1ccc2nc[nH]c2c1 ZINC001162274918 964901382 /nfs/dbraw/zinc/90/13/82/964901382.db2.gz OMWOSPCAYZEXSA-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN Cc1cnc(N[C@@H]2CCOC[C@@H]2F)cc1C ZINC001162347436 964940201 /nfs/dbraw/zinc/94/02/01/964940201.db2.gz AZHPTUYOGSJWGS-WDEREUQCSA-N 0 1 224.279 2.237 20 0 BEADMN C[C@@]1(O)CC[C@@H](Nc2ccnc3[nH]cnc32)CC1 ZINC001162361061 964943457 /nfs/dbraw/zinc/94/34/57/964943457.db2.gz TVHZDSZUGGDLDA-GMZHKTEUSA-N 0 1 246.314 2.063 20 0 BEADMN Nc1cc(N[C@@H]2CCCC[C@H]2F)ncc1F ZINC001162505723 965002824 /nfs/dbraw/zinc/00/28/24/965002824.db2.gz KCXVHAVVPRZLRD-GMSGAONNSA-N 0 1 227.258 2.496 20 0 BEADMN CC[C@H](C(=O)Nc1cccc2ocnc21)N(C)C ZINC000913507029 965057116 /nfs/dbraw/zinc/05/71/16/965057116.db2.gz KYCGZAVMRZLYHF-SNVBAGLBSA-N 0 1 247.298 2.107 20 0 BEADMN COC(=O)Cc1ccc(NC(=N)C(C)(C)C)nc1 ZINC001162657873 965091314 /nfs/dbraw/zinc/09/13/14/965091314.db2.gz SDOHUWJIZLWDJH-UHFFFAOYSA-N 0 1 249.314 2.232 20 0 BEADMN Cc1ccc(NC(=N)C(C)(C)C)nc1N ZINC001162661958 965096910 /nfs/dbraw/zinc/09/69/10/965096910.db2.gz JMTKQFZLRZLNSK-UHFFFAOYSA-N 0 1 206.293 2.407 20 0 BEADMN FC(F)(F)c1cnccc1NCc1ccon1 ZINC001162664551 965098389 /nfs/dbraw/zinc/09/83/89/965098389.db2.gz VUYRTYOTHMDCME-UHFFFAOYSA-N 0 1 243.188 2.122 20 0 BEADMN Cc1cnccc1CNc1ccnc2[nH]cnc21 ZINC001162721684 965147961 /nfs/dbraw/zinc/14/79/61/965147961.db2.gz CJPYFVAEUZTWFE-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@H]2C=CCC2)n1 ZINC000698285168 965182049 /nfs/dbraw/zinc/18/20/49/965182049.db2.gz SXOLXRHZFPLEJA-LURJTMIESA-N 0 1 235.678 2.137 20 0 BEADMN C(c1[nH]nc2c1CCC2)[N@H+]1CC2CCC1CC2 ZINC001232429051 965351326 /nfs/dbraw/zinc/35/13/26/965351326.db2.gz BZUYMUHXEGFGBW-UHFFFAOYSA-N 0 1 231.343 2.273 20 0 BEADMN C(c1[nH]nc2c1CCC2)N1CC2CCC1CC2 ZINC001232429051 965351351 /nfs/dbraw/zinc/35/13/51/965351351.db2.gz BZUYMUHXEGFGBW-UHFFFAOYSA-N 0 1 231.343 2.273 20 0 BEADMN Cc1ncn(C)c1Nc1cc(C)ccc1O ZINC001214223389 965393537 /nfs/dbraw/zinc/39/35/37/965393537.db2.gz MKPMYFZEKMOKRX-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN c1nc(N[C@@H]2CCCC23CCC3)nc2c1CNC2 ZINC001163516912 965420372 /nfs/dbraw/zinc/42/03/72/965420372.db2.gz GCGPZDVONWYURK-GFCCVEGCSA-N 0 1 244.342 2.215 20 0 BEADMN CC(C)N(C)c1cc(Cl)nc2[nH]cnc21 ZINC001163619358 965483403 /nfs/dbraw/zinc/48/34/03/965483403.db2.gz ODFAMFQOHAYCKN-UHFFFAOYSA-N 0 1 224.695 2.456 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 ZINC001233587725 965528877 /nfs/dbraw/zinc/52/88/77/965528877.db2.gz YFYYCMYGFPDOLR-LKEWCRSYSA-N 0 1 240.690 2.403 20 0 BEADMN Cc1cc(N2CCCC2)nc(N2CC(C)(C)C2)n1 ZINC001163724003 965536959 /nfs/dbraw/zinc/53/69/59/965536959.db2.gz KXJXJYYDWGWGAW-UHFFFAOYSA-N 0 1 246.358 2.231 20 0 BEADMN CN(C1COC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168437681 965560764 /nfs/dbraw/zinc/56/07/64/965560764.db2.gz JDWJNIDZLXLBHU-CYBMUJFWSA-N 0 1 235.302 2.014 20 0 BEADMN Cc1cnc(N2CCOCC(F)(F)C2)cc1C ZINC001163976830 965669947 /nfs/dbraw/zinc/66/99/47/965669947.db2.gz SADGANYZFVVDIW-UHFFFAOYSA-N 0 1 242.269 2.170 20 0 BEADMN Cc1nc2ccc(NC[C@@H]3CC(C)(C)O3)nc2[nH]1 ZINC001168456203 965766600 /nfs/dbraw/zinc/76/66/00/965766600.db2.gz KYPOTATYNHKNBM-VIFPVBQESA-N 0 1 246.314 2.246 20 0 BEADMN CCOc1ccnc(N2CCC(=O)[C@H](C)CC2)c1 ZINC001164368667 965866637 /nfs/dbraw/zinc/86/66/37/965866637.db2.gz QOJJGMQHAVRWGA-LLVKDONJSA-N 0 1 248.326 2.286 20 0 BEADMN CCC1CCN(c2ncc3nc(C)[nH]c3n2)CC1 ZINC001164451512 965889037 /nfs/dbraw/zinc/88/90/37/965889037.db2.gz PJUXOBYLROHUIC-UHFFFAOYSA-N 0 1 245.330 2.239 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2COC[C@H]2CC)o1 ZINC000699494100 965919026 /nfs/dbraw/zinc/91/90/26/965919026.db2.gz OGAYSEOIVUJUMK-GHMZBOCLSA-N 0 1 238.331 2.060 20 0 BEADMN CN(C)Cc1cccc(NC[C@@H]2CCCCO2)n1 ZINC001164689076 965945871 /nfs/dbraw/zinc/94/58/71/965945871.db2.gz CARVXPQXBOGSAU-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN Cc1ccc(N2CC[C@]3(CCOC3)C2)nc1C ZINC001165249885 966007285 /nfs/dbraw/zinc/00/72/85/966007285.db2.gz BSKSRCQAJSJTBG-AWEZNQCLSA-N 0 1 232.327 2.315 20 0 BEADMN COc1ccnc(N2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001165335802 966062631 /nfs/dbraw/zinc/06/26/31/966062631.db2.gz VUVWGXKPKBIAJX-AAEUAGOBSA-N 0 1 248.326 2.096 20 0 BEADMN Cc1cnc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1C ZINC001165366714 966065278 /nfs/dbraw/zinc/06/52/78/966065278.db2.gz VWBFOGBQIIHMPQ-SDDRHHMPSA-N 0 1 220.291 2.493 20 0 BEADMN Cc1ccc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)nc1C ZINC001165365782 966067710 /nfs/dbraw/zinc/06/77/10/966067710.db2.gz ZZWYYPAFOVKERO-SDDRHHMPSA-N 0 1 220.291 2.493 20 0 BEADMN Cc1ncc2n1CCN(c1cc(C)c(C)cn1)C2 ZINC001165385085 966077594 /nfs/dbraw/zinc/07/75/94/966077594.db2.gz NESDMZFYICWUOP-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN C[C@H]1COC[C@H]1NCc1cc(F)c(F)cc1F ZINC000699810838 966099425 /nfs/dbraw/zinc/09/94/25/966099425.db2.gz WFIGGDXNGCDWPK-JVXZTZIISA-N 0 1 245.244 2.228 20 0 BEADMN Nc1cc(NCCCc2ccncc2)ncc1F ZINC001165499414 966107289 /nfs/dbraw/zinc/10/72/89/966107289.db2.gz DIQAOZVEPGEWNY-UHFFFAOYSA-N 0 1 246.289 2.243 20 0 BEADMN COC(C)(C)CNc1cncc2nc(C)[nH]c21 ZINC001165852706 966169989 /nfs/dbraw/zinc/16/99/89/966169989.db2.gz FFSBJDSMIADCKT-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN C[C@H](NCc1ccc(=O)[nH]c1)c1ccccn1 ZINC000392669170 1169888063 /nfs/dbraw/zinc/88/80/63/1169888063.db2.gz GQDORQMGXYYDBS-JTQLQIEISA-N 0 1 229.283 2.033 20 0 BEADMN CN(c1cccc(N2CCOCC2)n1)C(C)(C)C ZINC001166527717 966284531 /nfs/dbraw/zinc/28/45/31/966284531.db2.gz XFBCJJWBLXDRHU-UHFFFAOYSA-N 0 1 249.358 2.153 20 0 BEADMN COC(=O)c1ccccc1CN1CCC[C@H]2C[C@H]21 ZINC001137791737 966310774 /nfs/dbraw/zinc/31/07/74/966310774.db2.gz USJNOBREMWHSCR-SMDDNHRTSA-N 0 1 245.322 2.458 20 0 BEADMN Cc1nc2cnc(N(CC3CC3)C(C)C)nc2[nH]1 ZINC001166619743 966338152 /nfs/dbraw/zinc/33/81/52/966338152.db2.gz QRFOOWCJCRCWJM-UHFFFAOYSA-N 0 1 245.330 2.238 20 0 BEADMN COc1ccnc(N(C)CCc2ccncc2)c1 ZINC001166625859 966340115 /nfs/dbraw/zinc/34/01/15/966340115.db2.gz QNUSQDASYZIDGH-UHFFFAOYSA-N 0 1 243.310 2.164 20 0 BEADMN Cc1cnc(N2CCC[C@H](C(F)F)C2)c(N)c1 ZINC001166773561 966403028 /nfs/dbraw/zinc/40/30/28/966403028.db2.gz COKSWYXNXFQRKT-VIFPVBQESA-N 0 1 241.285 2.454 20 0 BEADMN Cc1cnc(N2CCC[C@@H](CCO)C2)cc1C ZINC001166848459 966432661 /nfs/dbraw/zinc/43/26/61/966432661.db2.gz FSNIWDLVKAYMAX-ZDUSSCGKSA-N 0 1 234.343 2.297 20 0 BEADMN Cc1cc(C)nc(N2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001166946140 966470813 /nfs/dbraw/zinc/47/08/13/966470813.db2.gz HHGFWBVGDZXLOY-TXEJJXNPSA-N 0 1 230.311 2.114 20 0 BEADMN Clc1nccnc1CN1C[C@@H]2CCC[C@H]2C1 ZINC001236613192 966481145 /nfs/dbraw/zinc/48/11/45/966481145.db2.gz GUFNLSSBHMHYRN-UWVGGRQHSA-N 0 1 237.734 2.362 20 0 BEADMN CCOc1ccnc(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001166966704 966489647 /nfs/dbraw/zinc/48/96/47/966489647.db2.gz KXRGYBRRRQXQAJ-QWRGUYRKSA-N 0 1 236.315 2.094 20 0 BEADMN Cc1cncc(CN2CCC3(CC(F)C3)CC2)n1 ZINC001203163254 966534143 /nfs/dbraw/zinc/53/41/43/966534143.db2.gz BRQUWGBAVCRUHO-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN c1[nH]nnc1CN1CCC[C@@H]1c1ccccc1 ZINC001203206396 966552513 /nfs/dbraw/zinc/55/25/13/966552513.db2.gz YJPDQJOJFFCNPE-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN CCc1cc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)on1 ZINC001203231563 966569841 /nfs/dbraw/zinc/56/98/41/966569841.db2.gz HHORNVBHMBQBIB-GWCFXTLKSA-N 0 1 248.326 2.038 20 0 BEADMN CC(C)c1nc(CCN(C)Cc2ccco2)no1 ZINC001203272224 966589464 /nfs/dbraw/zinc/58/94/64/966589464.db2.gz BEPTXNWHUXHLRK-UHFFFAOYSA-N 0 1 249.314 2.461 20 0 BEADMN CNc1ccc(-n2c(N)nc3ccccc32)cn1 ZINC001203447291 966648695 /nfs/dbraw/zinc/64/86/95/966648695.db2.gz LYPNFDVBRVGJOR-UHFFFAOYSA-N 0 1 239.282 2.044 20 0 BEADMN COc1ccc(CN2CC[C@H]2C)c(OC)c1 ZINC001203470793 966663243 /nfs/dbraw/zinc/66/32/43/966663243.db2.gz GOVRMAVAJIYABY-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN Cc1ccccc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001203700397 966737393 /nfs/dbraw/zinc/73/73/93/966737393.db2.gz WUPVIWXMARYFNH-GXTWGEPZSA-N 0 1 237.318 2.147 20 0 BEADMN CO[C@@H]1CN(Cc2ccccc2C)C[C@@H]1F ZINC001203700154 966739325 /nfs/dbraw/zinc/73/93/25/966739325.db2.gz IWERFMHZHBWOAH-QWHCGFSZSA-N 0 1 223.291 2.164 20 0 BEADMN COc1cc(CN2CCC[C@H](C)C2)cnc1F ZINC001238448473 966758252 /nfs/dbraw/zinc/75/82/52/966758252.db2.gz RZLIGIZDJRRITA-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN Oc1cccc(CN2CC3(CCC3)C2)c1 ZINC001203859579 966796094 /nfs/dbraw/zinc/79/60/94/966796094.db2.gz WUJOUNGGRWDOJS-UHFFFAOYSA-N 0 1 203.285 2.378 20 0 BEADMN C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1ncc[nH]1 ZINC000528003125 966840949 /nfs/dbraw/zinc/84/09/49/966840949.db2.gz RRFMBPHBPBIZOJ-WCQYABFASA-N 0 1 248.374 2.077 20 0 BEADMN FC1(F)CO[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001204008570 966847060 /nfs/dbraw/zinc/84/70/60/966847060.db2.gz IJIHDNOMVCOQPT-NSHDSACASA-N 0 1 242.269 2.015 20 0 BEADMN Cc1ccsc1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001204019419 966855755 /nfs/dbraw/zinc/85/57/55/966855755.db2.gz YGGXGOBHGGITFD-QWRGUYRKSA-N 0 1 243.347 2.209 20 0 BEADMN Cc1ccsc1CN1CCCC12COC2 ZINC001204022215 966857486 /nfs/dbraw/zinc/85/74/86/966857486.db2.gz TYUAPJHFKJMRBX-UHFFFAOYSA-N 0 1 223.341 2.421 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC001204051157 966871471 /nfs/dbraw/zinc/87/14/71/966871471.db2.gz JCPVDGYQTSRQKL-VIFPVBQESA-N 0 1 205.257 2.010 20 0 BEADMN C[C@H]1CCN1Cc1ccc2c(c1)OCO2 ZINC001204051157 966871474 /nfs/dbraw/zinc/87/14/74/966871474.db2.gz JCPVDGYQTSRQKL-VIFPVBQESA-N 0 1 205.257 2.010 20 0 BEADMN c1cncc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001204072492 966879335 /nfs/dbraw/zinc/87/93/35/966879335.db2.gz IKFYIVPZXLHELG-KBPBESRZSA-N 0 1 232.327 2.083 20 0 BEADMN CSc1ccc(CN2CC3(CN(C)C3)C2)cc1 ZINC001204147074 966901316 /nfs/dbraw/zinc/90/13/16/966901316.db2.gz UBKXIYJAPNXYOM-UHFFFAOYSA-N 0 1 248.395 2.156 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001204156392 966903677 /nfs/dbraw/zinc/90/36/77/966903677.db2.gz AHXMMCGIURJPPF-AVGNSLFASA-N 0 1 249.285 2.317 20 0 BEADMN Cc1ccc(CN2C[C@@H](F)C[C@H](CO)C2)cc1 ZINC001204168918 966913450 /nfs/dbraw/zinc/91/34/50/966913450.db2.gz AQVUOZCNJKKEQU-KBPBESRZSA-N 0 1 237.318 2.147 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ccoc2)C1 ZINC001204245212 966943056 /nfs/dbraw/zinc/94/30/56/966943056.db2.gz HHNQAOVLPDLEQV-GFCCVEGCSA-N 0 1 207.273 2.081 20 0 BEADMN COC1CCC(Nc2ccnc(C)c2F)CC1 ZINC001168608916 966980736 /nfs/dbraw/zinc/98/07/36/966980736.db2.gz UBIVBQRJDITEDQ-UHFFFAOYSA-N 0 1 238.306 2.321 20 0 BEADMN Cc1csc(CN2CC[C@](C)(O)[C@@H](C)C2)n1 ZINC001204374446 966981678 /nfs/dbraw/zinc/98/16/78/966981678.db2.gz LGWGDNPBOHLZCC-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN CN(Cc1ncccc1F)C[C@H]1CCCOC1 ZINC001204460459 967001325 /nfs/dbraw/zinc/00/13/25/967001325.db2.gz MSYKFTBLIDIOCL-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN COC(C[N@@H+](C)Cc1cccc(F)c1C)OC ZINC001204509504 967018671 /nfs/dbraw/zinc/01/86/71/967018671.db2.gz DJCIKBJNKCHQOM-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN COC(CN(C)Cc1cccc(F)c1C)OC ZINC001204509504 967018683 /nfs/dbraw/zinc/01/86/83/967018683.db2.gz DJCIKBJNKCHQOM-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@@]12CCOC2 ZINC001204514568 967019077 /nfs/dbraw/zinc/01/90/77/967019077.db2.gz ZSSNGPMOEGOZHQ-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN CCOC(=O)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001204526285 967024229 /nfs/dbraw/zinc/02/42/29/967024229.db2.gz NRNXDIPBYZNXGC-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN CCCCN1CCN(Cc2nccs2)CC1 ZINC001204547221 967051262 /nfs/dbraw/zinc/05/12/62/967051262.db2.gz ZQWQPDWDUHAEFP-UHFFFAOYSA-N 0 1 239.388 2.061 20 0 BEADMN Cc1cc(CN[C@@H]2COc3ccc(C)cc32)n[nH]1 ZINC001116286443 967102537 /nfs/dbraw/zinc/10/25/37/967102537.db2.gz OGRDJODVHNCHFC-CYBMUJFWSA-N 0 1 243.310 2.250 20 0 BEADMN CC[N@@H+]1CC=C(c2cnc(NC#N)c(C)c2)CC1 ZINC001168626442 967122421 /nfs/dbraw/zinc/12/24/21/967122421.db2.gz NVPHOPGQMNIVEK-UHFFFAOYSA-N 0 1 242.326 2.392 20 0 BEADMN N#CNc1nc2ccc(Br)cc2[nH]1 ZINC001168631355 967140585 /nfs/dbraw/zinc/14/05/85/967140585.db2.gz QGFYSFGDJMKTHY-UHFFFAOYSA-N 0 1 237.060 2.218 20 0 BEADMN CCOC(=O)C(=O)C=CCCc1ccccc1 ZINC001249913286 967150254 /nfs/dbraw/zinc/15/02/54/967150254.db2.gz IXTQTNAOFVZZNW-VOTSOKGWSA-N 0 1 232.279 2.308 20 0 BEADMN COc1cc(CO)ccc1-c1nccc(N)c1C ZINC001204766769 967157779 /nfs/dbraw/zinc/15/77/79/967157779.db2.gz ANUTUBZFISJVPJ-UHFFFAOYSA-N 0 1 244.294 2.140 20 0 BEADMN Cc1ccc(F)cc1NC(=O)c1ccncc1O ZINC000162970156 967216055 /nfs/dbraw/zinc/21/60/55/967216055.db2.gz IQJDGBAFQIQPGN-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CN[C@H](c1nc(-c2ccncc2)no1)C(C)(C)C ZINC001204895021 967217792 /nfs/dbraw/zinc/21/77/92/967217792.db2.gz CQNKTGXGTGZUMS-SNVBAGLBSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1ncn(C)c1Nc1c(O)cccc1F ZINC001249991395 967241676 /nfs/dbraw/zinc/24/16/76/967241676.db2.gz YHGCJKOPUCLFTQ-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1cc[nH]c(=O)c1 ZINC000921743399 967245377 /nfs/dbraw/zinc/24/53/77/967245377.db2.gz QPHSZLYRIAPQIG-QMMMGPOBSA-N 0 1 247.298 2.243 20 0 BEADMN Cc1nccc(NCCCOC(C)C)c1F ZINC001168681807 967299522 /nfs/dbraw/zinc/29/95/22/967299522.db2.gz WGPIUMNVXRIDOP-UHFFFAOYSA-N 0 1 226.295 2.178 20 0 BEADMN Cc1ncn(-c2ccc(F)c(C)c2F)c1N ZINC001250048125 967306842 /nfs/dbraw/zinc/30/68/42/967306842.db2.gz ANQARVRITFVHTN-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN Cc1c(F)ccc(-n2cncc2N)c1F ZINC001250049687 967309644 /nfs/dbraw/zinc/30/96/44/967309644.db2.gz XKHNDCUMWLKVKS-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN CCOC(=O)C1CN(Cc2cccc(C)c2C)C1 ZINC001205089727 967341630 /nfs/dbraw/zinc/34/16/30/967341630.db2.gz YFCJXWNXMBSBCC-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN COCC1(NCc2cc(C)cnc2Cl)CC1 ZINC000921855097 967366360 /nfs/dbraw/zinc/36/63/60/967366360.db2.gz FAJJGONSYDQCPR-UHFFFAOYSA-N 0 1 240.734 2.312 20 0 BEADMN Fc1cc(C[C@H]2CCCO2)cc2[nH]ncc21 ZINC001250103361 967373517 /nfs/dbraw/zinc/37/35/17/967373517.db2.gz CYCYVFHVNSWENB-SECBINFHSA-N 0 1 220.247 2.424 20 0 BEADMN Cc1cc(N(C)C)ncc1C[C@H]1CCCO1 ZINC001250105022 967382371 /nfs/dbraw/zinc/38/23/71/967382371.db2.gz WTUWTWOXCSWSON-GFCCVEGCSA-N 0 1 220.316 2.178 20 0 BEADMN Cc1cc(CN2CC[C@H](F)[C@H](O)C2)ccc1F ZINC001205161558 967405100 /nfs/dbraw/zinc/40/51/00/967405100.db2.gz GDVOUVQUJWYECC-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cc(CN2CC[C@@H](F)[C@@H](O)C2)ccc1F ZINC001205161556 967405246 /nfs/dbraw/zinc/40/52/46/967405246.db2.gz GDVOUVQUJWYECC-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN Fc1cncc(-c2cc3[nH]nnc3cc2F)c1 ZINC001240234378 967444074 /nfs/dbraw/zinc/44/40/74/967444074.db2.gz BIQPAJCHEWCLBL-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN C[S@](=O)c1ccccc1CCN1CCCC1 ZINC001250163643 967456785 /nfs/dbraw/zinc/45/67/85/967456785.db2.gz FCZHKOQKDBXYKU-INIZCTEOSA-N 0 1 237.368 2.062 20 0 BEADMN Cn1ccnc1Nc1cc(F)cc(F)c1O ZINC001212477504 967479061 /nfs/dbraw/zinc/47/90/61/967479061.db2.gz GYJBIGHGEJOUNJ-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CC(C)C[C@@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000042585511 967521413 /nfs/dbraw/zinc/52/14/13/967521413.db2.gz CQHGNMRXJXSCAL-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN COc1c(F)ccc(-n2cnc(C)c2N)c1F ZINC001212496455 967536001 /nfs/dbraw/zinc/53/60/01/967536001.db2.gz MHKXOAVYMDZJNV-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN O=C([O-])CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012145 967540464 /nfs/dbraw/zinc/54/04/64/967540464.db2.gz RVLHNSDLSPVDCW-UHFFFAOYSA-N 0 1 225.675 2.130 20 0 BEADMN O=C([O-])CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012145 967540472 /nfs/dbraw/zinc/54/04/72/967540472.db2.gz RVLHNSDLSPVDCW-UHFFFAOYSA-N 0 1 225.675 2.130 20 0 BEADMN Cc1cc(N(C)C)ncc1CCCCCC(N)=O ZINC001250270829 967591549 /nfs/dbraw/zinc/59/15/49/967591549.db2.gz KIMGPRQRSHKUGJ-UHFFFAOYSA-N 0 1 249.358 2.044 20 0 BEADMN CCCN(CC(=O)OC)CC1(C(C)C)CC1 ZINC001205431770 967626161 /nfs/dbraw/zinc/62/61/61/967626161.db2.gz RTIUIUCKRGJZNW-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN FC(F)(F)CCNc1ccc2c(n1)NCCO2 ZINC001161828801 967670369 /nfs/dbraw/zinc/67/03/69/967670369.db2.gz SVDJFHFAQMYFMF-UHFFFAOYSA-N 0 1 247.220 2.250 20 0 BEADMN CC(C)CCCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000205513865 967686203 /nfs/dbraw/zinc/68/62/03/967686203.db2.gz YQBAKZCUUJZYNA-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CCN(Cc1cc(C)cc(F)c1)C1CN(C)C1 ZINC001143618690 967700055 /nfs/dbraw/zinc/70/00/55/967700055.db2.gz CXQXQBWXGSPENU-UHFFFAOYSA-N 0 1 236.334 2.270 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396200 967702832 /nfs/dbraw/zinc/70/28/32/967702832.db2.gz PUZQBAUTRUVQAI-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226396207 967704046 /nfs/dbraw/zinc/70/40/46/967704046.db2.gz PUZQBAUTRUVQAI-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN Nc1ccc2cnn(-c3ccc4cncn4c3)c2c1 ZINC001250327958 967710198 /nfs/dbraw/zinc/71/01/98/967710198.db2.gz IPAHUYYGHXXCQM-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Nc1cc(F)cnc1Nc1ccc2cncn2c1 ZINC001250327297 967711165 /nfs/dbraw/zinc/71/11/65/967711165.db2.gz PGGAIEQMHXMULQ-UHFFFAOYSA-N 0 1 243.245 2.194 20 0 BEADMN COc1cncc(Nc2ccc3cncn3c2)c1 ZINC001250327250 967711852 /nfs/dbraw/zinc/71/18/52/967711852.db2.gz MVWGRTZHGIELEU-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN Cc1ncnc(C)c1Nc1ccc2cncn2c1 ZINC001250326966 967713668 /nfs/dbraw/zinc/71/36/68/967713668.db2.gz DMQPVJPRUCEISX-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN Cc1c(Nc2ccc3cncn3c2)ncn1C ZINC001250329380 967717857 /nfs/dbraw/zinc/71/78/57/967717857.db2.gz INALFXZLZFSACZ-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN COC(CN(C)Cc1ccc2[nH]ccc2c1)OC ZINC001205599422 967719840 /nfs/dbraw/zinc/71/98/40/967719840.db2.gz PKQDXDNGKRCNSM-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1nnc(Cc2cc3cn[nH]c3cc2C)o1 ZINC001250340016 967731115 /nfs/dbraw/zinc/73/11/15/967731115.db2.gz XEQOKWAFMCBRNN-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN FC1CC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205677821 967770619 /nfs/dbraw/zinc/77/06/19/967770619.db2.gz OOHPILQUWNQCHB-UHFFFAOYSA-N 0 1 224.279 2.389 20 0 BEADMN Cc1oncc1CNc1cccc(CN(C)C)n1 ZINC001162268917 967780417 /nfs/dbraw/zinc/78/04/17/967780417.db2.gz DZMJJLUCXHDLEZ-UHFFFAOYSA-N 0 1 246.314 2.052 20 0 BEADMN c1nocc1CN1CC[C@H](c2ccccn2)C1 ZINC001205697539 967783858 /nfs/dbraw/zinc/78/38/58/967783858.db2.gz YDFQQAFBEUWIEC-LBPRGKRZSA-N 0 1 229.283 2.059 20 0 BEADMN Oc1c(F)cc(F)c(Cc2cnccn2)c1F ZINC001250373156 967786385 /nfs/dbraw/zinc/78/63/85/967786385.db2.gz LIEJTODYHMNYIR-UHFFFAOYSA-N 0 1 240.184 2.190 20 0 BEADMN Cc1occc1C[N@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000701576860 967815897 /nfs/dbraw/zinc/81/58/97/967815897.db2.gz IHHAHKADBHSLRL-TZMCWYRMSA-N 0 1 249.310 2.275 20 0 BEADMN Cc1cccnc1CN1CC(c2cccnc2)C1 ZINC001205807420 967829801 /nfs/dbraw/zinc/82/98/01/967829801.db2.gz JDZHANJGUXMJOX-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN CC(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC000020148811 967830382 /nfs/dbraw/zinc/83/03/82/967830382.db2.gz SOPKXAOCLQBRGW-VIFPVBQESA-N 0 1 240.734 2.127 20 0 BEADMN COC(=O)CCc1nc2cc(C)cc(C)c2[nH]1 ZINC001250428545 967845090 /nfs/dbraw/zinc/84/50/90/967845090.db2.gz FEKHJMQBDRYEJW-UHFFFAOYSA-N 0 1 232.283 2.285 20 0 BEADMN c1nc(CNCCC2SCCS2)cs1 ZINC000703264843 967845690 /nfs/dbraw/zinc/84/56/90/967845690.db2.gz ZZOVEOFGKQZMTF-UHFFFAOYSA-N 0 1 246.426 2.429 20 0 BEADMN COC(=O)CCc1nc2ccc(C)c(C)c2[nH]1 ZINC001250428326 967846598 /nfs/dbraw/zinc/84/65/98/967846598.db2.gz AKJYCPFSRKFVEM-UHFFFAOYSA-N 0 1 232.283 2.285 20 0 BEADMN Cc1c2[nH]c([C@H]3CCC(=O)N3)nc2ccc1Cl ZINC001250432081 967850568 /nfs/dbraw/zinc/85/05/68/967850568.db2.gz XWJFOPKURVBNAV-SECBINFHSA-N 0 1 249.701 2.476 20 0 BEADMN Cc1cc2nc(C(=O)N(C)C)[nH]c2cc1Cl ZINC001250437187 967856405 /nfs/dbraw/zinc/85/64/05/967856405.db2.gz YRIJIQKCLKZKFW-UHFFFAOYSA-N 0 1 237.690 2.227 20 0 BEADMN Cc1cc2nc(-c3cc[nH]n3)[nH]c2cc1F ZINC001250438650 967860494 /nfs/dbraw/zinc/86/04/94/967860494.db2.gz OPAPJMGSSMVOPM-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN Fc1ccc2nc(-c3c[nH]nn3)n(C3CC3)c2c1 ZINC001250440823 967862218 /nfs/dbraw/zinc/86/22/18/967862218.db2.gz BRQNRZKVIAKSSU-UHFFFAOYSA-N 0 1 243.245 2.295 20 0 BEADMN Cc1[nH]nc2ccc(-c3cnccn3)cc21 ZINC001250441215 967864107 /nfs/dbraw/zinc/86/41/07/967864107.db2.gz XNQPANHXYZNEFB-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Fc1cc2[nH]c(-c3c[nH]nn3)nc2c(Cl)c1 ZINC001250441590 967864862 /nfs/dbraw/zinc/86/48/62/967864862.db2.gz UTUFHCWQUJSKTH-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN CCCn1c2ccc(F)cc2nc1-c1c[nH]nn1 ZINC001250441183 967865195 /nfs/dbraw/zinc/86/51/95/967865195.db2.gz JVBVNYMXTKGKBF-UHFFFAOYSA-N 0 1 245.261 2.371 20 0 BEADMN Cc1nc2cc(-c3cnccn3)ccc2[nH]1 ZINC001250442625 967867808 /nfs/dbraw/zinc/86/78/08/967867808.db2.gz LIVVYHYGAFWLSK-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccnc(-c2cc3ccc[nH]c-3n2)n1 ZINC001250454917 967878794 /nfs/dbraw/zinc/87/87/94/967878794.db2.gz DKAPZLYRXGLVLZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Oc1cc(F)c(-c2ncc(F)cn2)cc1F ZINC001250476821 967913576 /nfs/dbraw/zinc/91/35/76/967913576.db2.gz FUSYNPANSLNHFU-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Oc1cc(-c2ncc(F)cn2)c(F)c(F)c1F ZINC001250480595 967926096 /nfs/dbraw/zinc/92/60/96/967926096.db2.gz XOJQUSMGQBRVOE-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@@H]2C)c(C)n1 ZINC001206016815 967972829 /nfs/dbraw/zinc/97/28/29/967972829.db2.gz RNJKOOMOYXMIJC-JQWIXIFHSA-N 0 1 221.348 2.442 20 0 BEADMN COc1cc2[nH]c(-c3c[nH]cn3)nc2cc1C ZINC001250499714 967986844 /nfs/dbraw/zinc/98/68/44/967986844.db2.gz KHWDIXLLPNWDOZ-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN Cc1c2[nH]c(-c3nccn3C)nc2ccc1F ZINC001250501478 967987439 /nfs/dbraw/zinc/98/74/39/967987439.db2.gz SMRJIWGEVAJTBA-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CC(=O)Nc1ccc2nc(-c3cnoc3)[nH]c2c1 ZINC001250508703 968005270 /nfs/dbraw/zinc/00/52/70/968005270.db2.gz PSPNROOQTQZCFR-UHFFFAOYSA-N 0 1 242.238 2.176 20 0 BEADMN COc1cc2nc(-c3ccn(C)n3)[nH]c2cc1F ZINC001250511024 968010386 /nfs/dbraw/zinc/01/03/86/968010386.db2.gz BHOIUSSZYCHISK-UHFFFAOYSA-N 0 1 246.245 2.111 20 0 BEADMN Cc1occc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000321332431 968013757 /nfs/dbraw/zinc/01/37/57/968013757.db2.gz ZJMHIMSARVGUJJ-BXKDBHETSA-N 0 1 237.299 2.131 20 0 BEADMN CCOC(=O)c1nc2cc(C)c(OC)cc2[nH]1 ZINC001250550021 968058627 /nfs/dbraw/zinc/05/86/27/968058627.db2.gz MMBLMSLFLRBKIY-UHFFFAOYSA-N 0 1 234.255 2.057 20 0 BEADMN Cc1nc2cnc(N3[C@@H](C)CCC[C@@H]3C)nc2[nH]1 ZINC001163547235 968058967 /nfs/dbraw/zinc/05/89/67/968058967.db2.gz XOCVWUDXVLQTMH-IUCAKERBSA-N 0 1 245.330 2.380 20 0 BEADMN COc1cc2cnc(N(C)C)cc2cc1OC ZINC001163572463 968067250 /nfs/dbraw/zinc/06/72/50/968067250.db2.gz KGAODYVQCSIHMD-UHFFFAOYSA-N 0 1 232.283 2.318 20 0 BEADMN COC(=O)[C@@H](C)c1nc2ccc(F)c(C)c2[nH]1 ZINC001250577725 968100293 /nfs/dbraw/zinc/10/02/93/968100293.db2.gz WLOOHSPLQGVLNA-ZETCQYMHSA-N 0 1 236.246 2.287 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000383009549 968105109 /nfs/dbraw/zinc/10/51/09/968105109.db2.gz DMHWCDWUQQKSJY-SECBINFHSA-N 0 1 247.285 2.218 20 0 BEADMN CC1(O)CN(CCCC2CCCCC2)C1 ZINC001206187046 968114158 /nfs/dbraw/zinc/11/41/58/968114158.db2.gz PXFPEQXSJGENDS-UHFFFAOYSA-N 0 1 211.349 2.414 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)cn2)CCC1(F)F ZINC001206198285 968124373 /nfs/dbraw/zinc/12/43/73/968124373.db2.gz BBNJGZAJVGICAK-JTQLQIEISA-N 0 1 243.301 2.287 20 0 BEADMN C[C@H]1C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250616108 968163512 /nfs/dbraw/zinc/16/35/12/968163512.db2.gz WXFIFHPZKSMDNL-BQBZGAKWSA-N 0 1 243.266 2.017 20 0 BEADMN Cn1c(CN[C@@H]2C=CCC2)nc2ccccc21 ZINC000698306784 968173945 /nfs/dbraw/zinc/17/39/45/968173945.db2.gz LNBJESGTSSIJSX-LLVKDONJSA-N 0 1 227.311 2.382 20 0 BEADMN Cc1c2[nH]c(-c3cncnc3)nc2ccc1F ZINC001250663971 968192652 /nfs/dbraw/zinc/19/26/52/968192652.db2.gz HPGNNNWKRSNNFI-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cnc(N)nc3)nc21 ZINC001250685051 968195516 /nfs/dbraw/zinc/19/55/16/968195516.db2.gz NISOODWMROGRGH-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN CNc1nccc(-c2nc3ccc(F)cc3[nH]2)n1 ZINC001250834747 968205097 /nfs/dbraw/zinc/20/50/97/968205097.db2.gz BZUSWUDVJPTPRI-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3nccnc3N)nc21 ZINC001250835594 968206188 /nfs/dbraw/zinc/20/61/88/968206188.db2.gz RGXPWDBBYHWTCU-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN Cc1cc2nc(-c3ccncn3)[nH]c2cc1F ZINC001250864153 968208530 /nfs/dbraw/zinc/20/85/30/968208530.db2.gz VYBTXFWBVZPAAE-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN OCc1ccc(-c2nc3ccc(F)cc3[nH]2)o1 ZINC001250893218 968208784 /nfs/dbraw/zinc/20/87/84/968208784.db2.gz QAFVHDQAMKYKFM-UHFFFAOYSA-N 0 1 232.214 2.454 20 0 BEADMN COc1ccc2nc(-c3cocn3)[nH]c2c1 ZINC001250932730 968217610 /nfs/dbraw/zinc/21/76/10/968217610.db2.gz PLXMHXOWYBOAPI-UHFFFAOYSA-N 0 1 215.212 2.227 20 0 BEADMN c1nc(-c2nc3cc4c(cc3[nH]2)OCC4)co1 ZINC001250932270 968217661 /nfs/dbraw/zinc/21/76/61/968217661.db2.gz DEENPYGCFIWECK-UHFFFAOYSA-N 0 1 227.223 2.153 20 0 BEADMN CC(=O)Nc1ccc2nc(-c3cocn3)[nH]c2c1 ZINC001250932473 968218463 /nfs/dbraw/zinc/21/84/63/968218463.db2.gz HTOOTXPNLZOFNM-UHFFFAOYSA-N 0 1 242.238 2.176 20 0 BEADMN CCOc1ccnc(N2CCC(=O)[C@@H](C)CC2)c1 ZINC001164368668 968228573 /nfs/dbraw/zinc/22/85/73/968228573.db2.gz QOJJGMQHAVRWGA-NSHDSACASA-N 0 1 248.326 2.286 20 0 BEADMN COc1ccc2nc(-c3nnc(C)s3)[nH]c2c1 ZINC001251080607 968260893 /nfs/dbraw/zinc/26/08/93/968260893.db2.gz RPSIMRBJMLBVQJ-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN CC(C)CCn1[nH]c2c(c1=O)CC[C@@H]2C ZINC001119002221 968263632 /nfs/dbraw/zinc/26/36/32/968263632.db2.gz IDXTVPDYSSQOIM-VHSXEESVSA-N 0 1 208.305 2.277 20 0 BEADMN CC[C@H](C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320496088 1169917030 /nfs/dbraw/zinc/91/70/30/1169917030.db2.gz OUJZPIUFMCUZSB-ONGXEEELSA-N 0 1 235.331 2.392 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001251472386 968292233 /nfs/dbraw/zinc/29/22/33/968292233.db2.gz UIXWQCJNSRMROS-QWRGUYRKSA-N 0 1 233.315 2.062 20 0 BEADMN CC(=CC(=O)Nc1nc(C(C)C)n[nH]1)C1CC1 ZINC001251609650 968294750 /nfs/dbraw/zinc/29/47/50/968294750.db2.gz BAULKVUUHNFJLF-VURMDHGXSA-N 0 1 234.303 2.223 20 0 BEADMN C/C(=C/C(=O)Nc1n[nH]c(C(C)C)n1)C1CC1 ZINC001251609650 968294761 /nfs/dbraw/zinc/29/47/61/968294761.db2.gz BAULKVUUHNFJLF-VURMDHGXSA-N 0 1 234.303 2.223 20 0 BEADMN Fc1cc2nc(-c3nc[nH]n3)[nH]c2c(Cl)c1 ZINC001251632216 968296280 /nfs/dbraw/zinc/29/62/80/968296280.db2.gz IWWQZUIBNXVQAM-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN Cc1nc2cc(N[C@H](C)CCO)ccc2[nH]1 ZINC001165905356 968301125 /nfs/dbraw/zinc/30/11/25/968301125.db2.gz MUDWDOWXEQGJTN-MRVPVSSYSA-N 0 1 219.288 2.054 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2=CCCC2)[C@@H]1C(=O)[O-] ZINC000401122177 968301172 /nfs/dbraw/zinc/30/11/72/968301172.db2.gz OEYVNRUECIBSCO-PWSUYJOCSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1cc2nc(-c3cnnn3C)[nH]c2cc1Cl ZINC001251717520 968306484 /nfs/dbraw/zinc/30/64/84/968306484.db2.gz RFAKSJNOYGURAD-UHFFFAOYSA-N 0 1 247.689 2.320 20 0 BEADMN Cc1n[nH]c(=O)c(CNCc2ccsc2)c1C ZINC001251740851 968309171 /nfs/dbraw/zinc/30/91/71/968309171.db2.gz LNZDAIRHXSXULS-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN COCC(C)(C)Nc1cnccc1/C=C/N(C)C ZINC001166049670 968311310 /nfs/dbraw/zinc/31/13/10/968311310.db2.gz GLBPRVDJWVMMTO-VQHVLOKHSA-N 0 1 249.358 2.451 20 0 BEADMN COc1cnccc1CN1CCC[C@H]2C[C@H]21 ZINC001206486956 968334421 /nfs/dbraw/zinc/33/44/21/968334421.db2.gz BGLPQVUSDQOCKG-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H]1C=CCC1 ZINC000698334882 968335070 /nfs/dbraw/zinc/33/50/70/968335070.db2.gz XEMAQVDYMAYEEH-MNOVXSKESA-N 0 1 203.289 2.154 20 0 BEADMN COc1ncccc1CN1CC[C@@](C)(CF)C1 ZINC001206553631 968377460 /nfs/dbraw/zinc/37/74/60/968377460.db2.gz DAEVBHAGWLAQHJ-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN COc1ncccc1CN(C)C1CC(C)C1 ZINC001206553563 968377759 /nfs/dbraw/zinc/37/77/59/968377759.db2.gz BCYDYTDXWJUHNI-UHFFFAOYSA-N 0 1 220.316 2.321 20 0 BEADMN COc1ncccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001206590310 968409018 /nfs/dbraw/zinc/40/90/18/968409018.db2.gz QURCRNXVSMIULM-SRVKXCTJSA-N 0 1 236.290 2.023 20 0 BEADMN CCN(Cc1ncccc1OC)C1CC1 ZINC001206610822 968419030 /nfs/dbraw/zinc/41/90/30/968419030.db2.gz NHTIIBWPTMWGOO-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)CCCC1=O ZINC001251984064 968424027 /nfs/dbraw/zinc/42/40/27/968424027.db2.gz YHZHAYMWFGQSCQ-DOMZBBRYSA-N 0 1 247.338 2.021 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1C[C@@H](O)c1ccccc1 ZINC001251983929 968424558 /nfs/dbraw/zinc/42/45/58/968424558.db2.gz UQUZTEJIJPUBHG-RAIGVLPGSA-N 0 1 223.291 2.152 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001119636909 968447274 /nfs/dbraw/zinc/44/72/74/968447274.db2.gz JOMVYETXTZGTPS-DBNIFQIXSA-N 0 1 243.257 2.072 20 0 BEADMN Cc1cncnc1-c1cc(F)c(O)cc1F ZINC001206748082 968453593 /nfs/dbraw/zinc/45/35/93/968453593.db2.gz CQEHFUDXIUPCSR-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Oc1cc(F)c(-c2ccnc(F)n2)cc1F ZINC001206767867 968462585 /nfs/dbraw/zinc/46/25/85/968462585.db2.gz LJSYPAFYLWCWBJ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Fc1cnccc1CN1CCCC12CC2 ZINC001206782403 968470430 /nfs/dbraw/zinc/47/04/30/968470430.db2.gz VWWUZVXSRROASN-UHFFFAOYSA-N 0 1 206.264 2.349 20 0 BEADMN Cc1cc(CN2C[C@@H](C)CC23CC3)no1 ZINC001206821274 968491798 /nfs/dbraw/zinc/49/17/98/968491798.db2.gz UKLIEEZXEYPTAY-VIFPVBQESA-N 0 1 206.289 2.357 20 0 BEADMN CCCC[C@H](O)CNCc1cnccc1Cl ZINC001252076142 968494975 /nfs/dbraw/zinc/49/49/75/968494975.db2.gz HJFBYNCALCHBQI-NSHDSACASA-N 0 1 242.750 2.376 20 0 BEADMN CCCC[C@@H](O)CNc1cc(OC)ccn1 ZINC001252078817 968497655 /nfs/dbraw/zinc/49/76/55/968497655.db2.gz AGVHABAJIUVSAE-SNVBAGLBSA-N 0 1 224.304 2.053 20 0 BEADMN CC[C@H](O)CCCNCc1csc(C)n1 ZINC000164699172 968526161 /nfs/dbraw/zinc/52/61/61/968526161.db2.gz RYKKPUKCOBOSDC-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN COc1cncc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001206997931 968530765 /nfs/dbraw/zinc/53/07/65/968530765.db2.gz DGQKFAQJVIVFEZ-GVXVVHGQSA-N 0 1 236.290 2.023 20 0 BEADMN c1cnc(CN2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC001207016852 968553706 /nfs/dbraw/zinc/55/37/06/968553706.db2.gz HKFOFPJKPJYNPW-CHWSQXEVSA-N 0 1 231.343 2.489 20 0 BEADMN CCN(Cc1ncccc1F)C1CCOCC1 ZINC001207032146 968564666 /nfs/dbraw/zinc/56/46/66/968564666.db2.gz FWXZWVGRDVWPMV-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@H](NCc1csnn1)C1CCC1 ZINC000324832162 968565565 /nfs/dbraw/zinc/56/55/65/968565565.db2.gz VHCCUBPPHDFODY-JTQLQIEISA-N 0 1 211.334 2.206 20 0 BEADMN CO[C@@H]1CCN(Cc2ncccc2F)[C@@H](C)C1 ZINC001207036950 968569800 /nfs/dbraw/zinc/56/98/00/968569800.db2.gz JASQILKREREFJJ-WDEREUQCSA-N 0 1 238.306 2.220 20 0 BEADMN CC[C@@H]1CCN(Cc2ncccc2F)C1 ZINC001207035382 968570573 /nfs/dbraw/zinc/57/05/73/968570573.db2.gz LJYIXNBMZNFKHJ-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1nnc(CN[C@]23C[C@H]2CCCC3)s1 ZINC000698360747 968571806 /nfs/dbraw/zinc/57/18/06/968571806.db2.gz CLFHQLOGLOYFNC-MWLCHTKSSA-N 0 1 223.345 2.269 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)c1C ZINC000716202525 968575047 /nfs/dbraw/zinc/57/50/47/968575047.db2.gz YZUCAYCKIWNSPD-RYUDHWBXSA-N 0 1 247.342 2.079 20 0 BEADMN Nc1ncccc1CN[C@@H]1CCCC[C@@H]1F ZINC001207057547 968577817 /nfs/dbraw/zinc/57/78/17/968577817.db2.gz HVNDTMKFKOTYOL-WDEREUQCSA-N 0 1 223.295 2.034 20 0 BEADMN CC(C)=Cc1ccc(N2CCN(C)CC2)nc1 ZINC001240635038 968591886 /nfs/dbraw/zinc/59/18/86/968591886.db2.gz VZWTUPDHHWYKNS-UHFFFAOYSA-N 0 1 231.343 2.257 20 0 BEADMN CCCC[C@H](O)CNCOc1ccccc1 ZINC001252115179 968598139 /nfs/dbraw/zinc/59/81/39/968598139.db2.gz RGHYOOUDSZHHJH-LBPRGKRZSA-N 0 1 223.316 2.164 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)CC23CC3)cn1 ZINC001207081315 968615311 /nfs/dbraw/zinc/61/53/11/968615311.db2.gz KZPXZAIBPWOLPJ-SNVBAGLBSA-N 0 1 217.316 2.159 20 0 BEADMN CCO[C@@H]1CCCN(Cc2ccnc(CC)n2)C1 ZINC001207087068 968616424 /nfs/dbraw/zinc/61/64/24/968616424.db2.gz XRHYHROSNCQRSX-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN Cc1ncccc1CN1CC(c2cccnc2)C1 ZINC001207155136 968666214 /nfs/dbraw/zinc/66/62/14/968666214.db2.gz MGDNUGGXKNMOLD-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN Cc1cncc(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001207155245 968666485 /nfs/dbraw/zinc/66/64/85/968666485.db2.gz MYSDMCBGGVZSIX-GJZGRUSLSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1cncc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001207155246 968667602 /nfs/dbraw/zinc/66/76/02/968667602.db2.gz MYSDMCBGGVZSIX-HUUCEWRRSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1cncc(CN2CCc3ccncc3C2)c1 ZINC001207161311 968670665 /nfs/dbraw/zinc/67/06/65/968670665.db2.gz XLRUKZDEHOJGPM-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CCCOC1CCN(Cc2ccnc(C)n2)CC1 ZINC001207165853 968673297 /nfs/dbraw/zinc/67/32/97/968673297.db2.gz KHVARFRDIYYBPT-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@]2(CCO2)C1 ZINC001207173790 968680166 /nfs/dbraw/zinc/68/01/66/968680166.db2.gz VOZXJQRNLVUDGC-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)n1nccc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001207173504 968681033 /nfs/dbraw/zinc/68/10/33/968681033.db2.gz HBJLSCNXCBGBDE-XYYAHUGASA-N 0 1 237.322 2.111 20 0 BEADMN CC(C)n1nccc1CN1CC[C@@]2(CCCO2)C1 ZINC001207171098 968681225 /nfs/dbraw/zinc/68/12/25/968681225.db2.gz RJZNMMVEFSFHFW-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)n1nccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001207175767 968684901 /nfs/dbraw/zinc/68/49/01/968684901.db2.gz MOMZHCUYKUHLBB-YPMHNXCESA-N 0 1 219.332 2.448 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC=C(Cl)Cl ZINC000403345710 968688483 /nfs/dbraw/zinc/68/84/83/968688483.db2.gz VGPOGUFSGTYNCK-LURJTMIESA-N 0 1 226.103 2.100 20 0 BEADMN COc1ccc(NCc2cc(C)[nH]n2)cc1OC ZINC001252457424 968714794 /nfs/dbraw/zinc/71/47/94/968714794.db2.gz USLRSUDUZFLOOC-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN CCN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085460788 968737226 /nfs/dbraw/zinc/73/72/26/968737226.db2.gz PRZVOZJRAHPAQO-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN COc1cccc(CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001207427699 968766666 /nfs/dbraw/zinc/76/66/66/968766666.db2.gz BHLPJHLMVMAKPD-GASCZTMLSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccccc1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001207453868 968779023 /nfs/dbraw/zinc/77/90/23/968779023.db2.gz PCUFJOZYHOOJLR-BETUJISGSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1CC[N@H+]1CC[C@@]12CCOC2 ZINC001207460054 968782888 /nfs/dbraw/zinc/78/28/88/968782888.db2.gz GFKISGBLHJQBFJ-HNNXBMFYSA-N 0 1 247.338 2.103 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(CC(C)C)c1 ZINC001240876295 968787729 /nfs/dbraw/zinc/78/77/29/968787729.db2.gz SOSIBHGGBGHRPV-UHFFFAOYSA-N 0 1 230.315 2.492 20 0 BEADMN CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001085542128 968790147 /nfs/dbraw/zinc/79/01/47/968790147.db2.gz QODXDXMYMIDEKN-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN COc1ccc(CCN2CCC[C@H]2C(C)=O)cc1 ZINC001207478111 968792353 /nfs/dbraw/zinc/79/23/53/968792353.db2.gz BELVEMSTGQIWKK-HNNXBMFYSA-N 0 1 247.338 2.291 20 0 BEADMN COc1cccc(CCCN(C)CC(C)=O)c1 ZINC001207559511 968821254 /nfs/dbraw/zinc/82/12/54/968821254.db2.gz YKGJMJPOTRLNSA-UHFFFAOYSA-N 0 1 235.327 2.149 20 0 BEADMN CC1(O)CN(CCCc2ccc(Cl)cc2)C1 ZINC001207593154 968828418 /nfs/dbraw/zinc/82/84/18/968828418.db2.gz OMTNUPKRKPJMSF-UHFFFAOYSA-N 0 1 239.746 2.339 20 0 BEADMN CCOC(=O)CN(CC)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631011 968847572 /nfs/dbraw/zinc/84/75/72/968847572.db2.gz CTJFWSRDWJXXMA-YNEHKIRRSA-N 0 1 237.343 2.084 20 0 BEADMN COc1cc(CN(C)C[C@H]2C[C@@H]2C)sn1 ZINC001207665118 968857563 /nfs/dbraw/zinc/85/75/63/968857563.db2.gz IFPBSXYPTUDMKA-DTWKUNHWSA-N 0 1 226.345 2.240 20 0 BEADMN C[C@H](CC1CCCC1)N[C@@H](CO)c1ncc[nH]1 ZINC001207665711 968859818 /nfs/dbraw/zinc/85/98/18/968859818.db2.gz PPONEEIVAQORQD-PWSUYJOCSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@@H]1COCCN1CC1(c2ccccc2)CC1 ZINC001207832102 968892486 /nfs/dbraw/zinc/89/24/86/968892486.db2.gz XLDFFHWTUSHCDW-CYBMUJFWSA-N 0 1 231.339 2.439 20 0 BEADMN OC[C@]1(F)CCN(CC2(c3ccccc3)CC2)C1 ZINC001207830450 968893887 /nfs/dbraw/zinc/89/38/87/968893887.db2.gz FVAXDNNVOQWXQN-HNNXBMFYSA-N 0 1 249.329 2.125 20 0 BEADMN Clc1nc2nc[nH]c2c(Oc2cccnc2)n1 ZINC000165411383 968894273 /nfs/dbraw/zinc/89/42/73/968894273.db2.gz PVQLARIYTUFPFB-UHFFFAOYSA-N 0 1 247.645 2.194 20 0 BEADMN CN(CC1(c2ccccc2)CC1)C1(C)COC1 ZINC001207839509 968898987 /nfs/dbraw/zinc/89/89/87/968898987.db2.gz QWODOMANHIXZOP-UHFFFAOYSA-N 0 1 231.339 2.439 20 0 BEADMN C[C@H](CN1CCC12COC2)c1ccccc1 ZINC001207910429 968922435 /nfs/dbraw/zinc/92/24/35/968922435.db2.gz RFHBZRKUWDSZTL-GFCCVEGCSA-N 0 1 217.312 2.265 20 0 BEADMN Nc1cc(-c2cc3nc[nH]c3cc2F)ccn1 ZINC001241170605 968942835 /nfs/dbraw/zinc/94/28/35/968942835.db2.gz RQEHUBXQAMDMRE-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1ccc(CCCN2C[C@H]3CC[C@@H]2CO3)o1 ZINC001207950191 968946246 /nfs/dbraw/zinc/94/62/46/968946246.db2.gz PFKRTBBBWUXSGE-TZMCWYRMSA-N 0 1 235.327 2.384 20 0 BEADMN c1cc2c(cn1)CN(C[C@@H]1CCCCO1)CC2 ZINC001207956725 968955430 /nfs/dbraw/zinc/95/54/30/968955430.db2.gz NNFWIRSVLLEROT-AWEZNQCLSA-N 0 1 232.327 2.009 20 0 BEADMN CN(Cc1cccc2ncccc12)C1COC1 ZINC001137629210 968958205 /nfs/dbraw/zinc/95/82/05/968958205.db2.gz BHERBXVRFVICOK-UHFFFAOYSA-N 0 1 228.295 2.065 20 0 BEADMN CCC[C@@H](O)CNCc1cc(C(C)C)no1 ZINC001252801019 968986593 /nfs/dbraw/zinc/98/65/93/968986593.db2.gz SHFSKKJNNSWLAG-SNVBAGLBSA-N 0 1 226.320 2.049 20 0 BEADMN Nc1ccc(-c2cc3[nH]nnc3cc2F)cc1 ZINC001241542546 969027388 /nfs/dbraw/zinc/02/73/88/969027388.db2.gz LAFZZKHPWNUYGT-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(-c2cc3nn[nH]c3cc2F)cc1 ZINC001241542546 969027396 /nfs/dbraw/zinc/02/73/96/969027396.db2.gz LAFZZKHPWNUYGT-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CC/C=C\CCCN1CCN(C(=O)OC)CC1 ZINC001208131123 969032121 /nfs/dbraw/zinc/03/21/21/969032121.db2.gz ITHNBHNIKPSKLD-PLNGDYQASA-N 0 1 240.347 2.117 20 0 BEADMN COc1cc(F)cc(NCc2cc(C)[nH]n2)c1 ZINC001252922519 969041115 /nfs/dbraw/zinc/04/11/15/969041115.db2.gz CIHFAYWMOQKMGD-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CCCNc1ccnc(C2=CCCN(C)C2)n1 ZINC001241566299 969054985 /nfs/dbraw/zinc/05/49/85/969054985.db2.gz UDZBJHPATSXSDL-UHFFFAOYSA-N 0 1 232.331 2.017 20 0 BEADMN CN1CCC=C(c2nccc3cccnc32)C1 ZINC001241565248 969055274 /nfs/dbraw/zinc/05/52/74/969055274.db2.gz IIRKZFVTEYPRCS-UHFFFAOYSA-N 0 1 225.295 2.349 20 0 BEADMN CCN(CC[C@@H](C)SC)[C@@H](C)C(=O)OC ZINC001208149579 969071059 /nfs/dbraw/zinc/07/10/59/969071059.db2.gz ACLMQATYOINYMO-ZJUUUORDSA-N 0 1 233.377 2.011 20 0 BEADMN COc1cnnc(-c2ccc3c(c2)n[nH]c3C)c1 ZINC001241637680 969078987 /nfs/dbraw/zinc/07/89/87/969078987.db2.gz YUYNGNJRRSTDLP-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]ncc1-c1nnc(-c2ccccc2)o1 ZINC001253107730 969086280 /nfs/dbraw/zinc/08/62/80/969086280.db2.gz BHWPBCWOXGZYCA-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN C[C@](O)(CN1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1 ZINC001253097242 969087910 /nfs/dbraw/zinc/08/79/10/969087910.db2.gz ABZAWKFDVORPNK-MXAVVETBSA-N 0 1 249.329 2.184 20 0 BEADMN CC1=C[C@@H](C)[C@H](CN2CCN(C#N)CC2)CC1 ZINC001208170123 969100106 /nfs/dbraw/zinc/10/01/06/969100106.db2.gz RXJDWJQKUOMFTK-KGLIPLIRSA-N 0 1 233.359 2.077 20 0 BEADMN CC(=O)OC1CN(C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001208174457 969106791 /nfs/dbraw/zinc/10/67/91/969106791.db2.gz KMPYTURTEKEHDD-YPMHNXCESA-N 0 1 237.343 2.226 20 0 BEADMN CC/C=C\CCCCCN1CCO[C@H](CO)C1 ZINC001208188586 969116757 /nfs/dbraw/zinc/11/67/57/969116757.db2.gz KBIGLJFBBOHNED-NQHOJNORSA-N 0 1 241.375 2.206 20 0 BEADMN COc1ccc(-c2cc[nH+]c(N)c2)cc1C(=O)[O-] ZINC001241868534 969128227 /nfs/dbraw/zinc/12/82/27/969128227.db2.gz GHWQUSRFHSSIBP-UHFFFAOYSA-N 0 1 244.250 2.038 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC000166190603 969140680 /nfs/dbraw/zinc/14/06/80/969140680.db2.gz GLVZRFHNFKXCQA-CYBMUJFWSA-N 0 1 232.327 2.191 20 0 BEADMN Cc1nnc(-c2cc(-c3ccccc3)n[nH]2)o1 ZINC001253436975 969171224 /nfs/dbraw/zinc/17/12/24/969171224.db2.gz MKRFRQPNFSHAEJ-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN O=c1ccc(-c2ccc3nc[nH]c3c2)c[nH]1 ZINC001242063143 969194454 /nfs/dbraw/zinc/19/44/54/969194454.db2.gz GWBGXHPELQXRRF-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC/C=C\CCN1C[C@H](F)[C@@H](OC)C1 ZINC001208724857 969207875 /nfs/dbraw/zinc/20/78/75/969207875.db2.gz HZUSMKWWGQTQJB-XXJOZFEBSA-N 0 1 201.285 2.011 20 0 BEADMN CCCCC[C@@H](O)CNc1cc(SC)n[nH]1 ZINC001253531831 969203420 /nfs/dbraw/zinc/20/34/20/969203420.db2.gz RDKNXWLZPRTEFU-SECBINFHSA-N 0 1 243.376 2.485 20 0 BEADMN CCCCC[C@H](O)CN1CCC[C@H](F)C1 ZINC001253532668 969203650 /nfs/dbraw/zinc/20/36/50/969203650.db2.gz LKRAMBRJOFOBJI-RYUDHWBXSA-N 0 1 217.328 2.362 20 0 BEADMN CCCCC[C@H](O)CN1CCCCC12COC2 ZINC001253532855 969203857 /nfs/dbraw/zinc/20/38/57/969203857.db2.gz NAYVTVLUNJRLJG-ZDUSSCGKSA-N 0 1 241.375 2.183 20 0 BEADMN CCCCC[C@H](O)CN1CCC[C@@H](F)C1 ZINC001253532666 969204171 /nfs/dbraw/zinc/20/41/71/969204171.db2.gz LKRAMBRJOFOBJI-NEPJUHHUSA-N 0 1 217.328 2.362 20 0 BEADMN CCCCC[C@H](O)CN1CCc2ncccc2C1 ZINC001253534961 969206612 /nfs/dbraw/zinc/20/66/12/969206612.db2.gz GGIMYUSBPPUQJQ-AWEZNQCLSA-N 0 1 248.370 2.381 20 0 BEADMN CCCCC[C@@H](O)CN1C[C@@H](C)OC[C@H]1C ZINC001253536157 969207024 /nfs/dbraw/zinc/20/70/24/969207024.db2.gz DYTDMEDNPHBSKS-JHJVBQTASA-N 0 1 229.364 2.037 20 0 BEADMN CCCCC[C@@H](O)CN1CCOC[C@@H]1CC ZINC001253536656 969211496 /nfs/dbraw/zinc/21/14/96/969211496.db2.gz UAJKMSFHYBMDBH-QWHCGFSZSA-N 0 1 229.364 2.038 20 0 BEADMN CCCCC[C@@H](O)CN1CCc2cccnc2C1 ZINC001253538631 969215213 /nfs/dbraw/zinc/21/52/13/969215213.db2.gz RNBVNARGNCDSHR-CQSZACIVSA-N 0 1 248.370 2.381 20 0 BEADMN CCCCC[C@@H](O)CN[C@H](C)c1ccno1 ZINC001253563262 969233601 /nfs/dbraw/zinc/23/36/01/969233601.db2.gz JVUAQARBCRFJBM-GHMZBOCLSA-N 0 1 226.320 2.266 20 0 BEADMN COc1ccc(CCN(C)CCF)cc1OC ZINC001208762718 969234806 /nfs/dbraw/zinc/23/48/06/969234806.db2.gz WHCJLUAOEYNKPB-UHFFFAOYSA-N 0 1 241.306 2.148 20 0 BEADMN F[C@@H]1CSC2(CN(C[C@H]3CCC=CO3)C2)C1 ZINC001208882110 969273486 /nfs/dbraw/zinc/27/34/86/969273486.db2.gz IDEORFFAVMOAPX-WDEREUQCSA-N 0 1 243.347 2.209 20 0 BEADMN C[C@H](CN1C[C@H]2CC[C@@H](C1)C2=O)C(F)(F)F ZINC001208904337 969293183 /nfs/dbraw/zinc/29/31/83/969293183.db2.gz DWEBCTDKUDGHHS-HLTSFMKQSA-N 0 1 235.249 2.096 20 0 BEADMN CCCS(=O)(=O)Nc1scnc1C(C)C ZINC001253639943 969318876 /nfs/dbraw/zinc/31/88/76/969318876.db2.gz QDZGORJWXXIFFR-UHFFFAOYSA-N 0 1 248.373 2.418 20 0 BEADMN Nc1cncn1C1=CCN(c2ccccc2)CC1 ZINC001209009149 969318804 /nfs/dbraw/zinc/31/88/04/969318804.db2.gz FRYKKPFPBRLTPJ-UHFFFAOYSA-N 0 1 240.310 2.217 20 0 BEADMN CC(C)(C)[C@H](O)CNc1ccc2c[nH]nc2c1 ZINC001253715152 969338313 /nfs/dbraw/zinc/33/83/13/969338313.db2.gz VIWAVHBVFSTVLN-GFCCVEGCSA-N 0 1 233.315 2.382 20 0 BEADMN Cc1cnc(CN)n1-c1cc(C)ccc1C ZINC001169027688 969345273 /nfs/dbraw/zinc/34/52/73/969345273.db2.gz CNUCJLWMIFEXME-UHFFFAOYSA-N 0 1 215.300 2.256 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2cc[nH]c2c1C ZINC001169031176 969352802 /nfs/dbraw/zinc/35/28/02/969352802.db2.gz YVKWHJBDNRVWMD-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN CC1CN(CCc2cc(F)cc(F)c2)C1 ZINC001209128110 969353595 /nfs/dbraw/zinc/35/35/95/969353595.db2.gz KYHGTJNOSPAIEI-UHFFFAOYSA-N 0 1 211.255 2.459 20 0 BEADMN CC(=O)[C@H](NC[C@@H](O)C(C)(C)C)c1ccccc1 ZINC001253741986 969362026 /nfs/dbraw/zinc/36/20/26/969362026.db2.gz RLRMXMZHGKZBSR-KGLIPLIRSA-N 0 1 249.354 2.313 20 0 BEADMN Cc1ccc(C)c(NC[C@@H](O)C(C)C)n1 ZINC001253754303 969370839 /nfs/dbraw/zinc/37/08/39/969370839.db2.gz LDBRSLDITLJZLK-LLVKDONJSA-N 0 1 208.305 2.127 20 0 BEADMN CCOc1cc(NC[C@H](O)C(C)C)cc(C)n1 ZINC001253755054 969375601 /nfs/dbraw/zinc/37/56/01/969375601.db2.gz XGWVLZAQBRRGMW-LBPRGKRZSA-N 0 1 238.331 2.218 20 0 BEADMN CCc1cncc(Nc2c(C)ncn2C)c1 ZINC001209190138 969378115 /nfs/dbraw/zinc/37/81/15/969378115.db2.gz ANUGJINXUOOEQY-UHFFFAOYSA-N 0 1 216.288 2.430 20 0 BEADMN CCN(CCc1cccs1)C1COC1 ZINC001209226741 969408904 /nfs/dbraw/zinc/40/89/04/969408904.db2.gz CPGNKCXCUSHPDA-UHFFFAOYSA-N 0 1 211.330 2.011 20 0 BEADMN c1csc(CCN2C[C@H]3CC[C@@H]2CO3)c1 ZINC001209229098 969412619 /nfs/dbraw/zinc/41/26/19/969412619.db2.gz VOZVBCVDXUMFFK-GHMZBOCLSA-N 0 1 223.341 2.154 20 0 BEADMN CCCc1nnc(-c2ccc3nc(N)[nH]c3c2)o1 ZINC001253957204 969430304 /nfs/dbraw/zinc/43/03/04/969430304.db2.gz IVHOUUUZOWCFOF-UHFFFAOYSA-N 0 1 243.270 2.148 20 0 BEADMN Cc1cc(C[N@H+](C)C2Cc3ccccc3C2)n[nH]1 ZINC001253997497 969442358 /nfs/dbraw/zinc/44/23/58/969442358.db2.gz OKNYFAXNUJMYIE-UHFFFAOYSA-N 0 1 241.338 2.317 20 0 BEADMN CCCc1nnc(-c2cnccc2N(C)C)o1 ZINC001254014872 969451751 /nfs/dbraw/zinc/45/17/51/969451751.db2.gz WKJFORQNRUVIRR-UHFFFAOYSA-N 0 1 232.287 2.150 20 0 BEADMN COC1CCC(CN(C)Cc2ncccn2)CC1 ZINC001209386020 969456779 /nfs/dbraw/zinc/45/67/79/969456779.db2.gz CURRQDSKGVTWPM-UHFFFAOYSA-N 0 1 249.358 2.114 20 0 BEADMN C[C@H]1CC(CN(C)Cc2ccon2)C[C@H](C)O1 ZINC001209384503 969457036 /nfs/dbraw/zinc/45/70/36/969457036.db2.gz AJMUUIPJRUBUPK-QWRGUYRKSA-N 0 1 238.331 2.310 20 0 BEADMN CCCOC1CN(C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209389604 969460771 /nfs/dbraw/zinc/46/07/71/969460771.db2.gz VDWHOVFDVPTEFF-CLLJXQQHSA-N 0 1 241.375 2.301 20 0 BEADMN OC1CC2(C1)CN(Cc1ccc3cc[nH]c3c1)C2 ZINC001209507356 969528437 /nfs/dbraw/zinc/52/84/37/969528437.db2.gz KOJJGJGQBCJOPT-UHFFFAOYSA-N 0 1 242.322 2.125 20 0 BEADMN c1ncc(CN2CCC3(CCCO3)CC2)s1 ZINC001209550287 969538952 /nfs/dbraw/zinc/53/89/52/969538952.db2.gz ZTEMMXSZZXCVTA-UHFFFAOYSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)[nH]1 ZINC001209568090 969551990 /nfs/dbraw/zinc/55/19/90/969551990.db2.gz CNXYOYKYXSHYRD-JSGCOSHPSA-N 0 1 234.343 2.324 20 0 BEADMN CC(C)N(CCCCCO)Cc1ccon1 ZINC001209570573 969555381 /nfs/dbraw/zinc/55/53/81/969555381.db2.gz ZRUODVIZFZHPLW-UHFFFAOYSA-N 0 1 226.320 2.048 20 0 BEADMN Cc1nc2ccccn2c1CN1CC=CC1 ZINC001209646861 969572245 /nfs/dbraw/zinc/57/22/45/969572245.db2.gz CZMPZMSPUIYLTM-UHFFFAOYSA-N 0 1 213.284 2.015 20 0 BEADMN Fc1ccc(F)c(CN[C@H]2CCCOC2)c1F ZINC001254362126 969576184 /nfs/dbraw/zinc/57/61/84/969576184.db2.gz CWGQAWQAVDEGFD-QMMMGPOBSA-N 0 1 245.244 2.373 20 0 BEADMN Clc1ccncc1CN[C@@H]1CCCOC1 ZINC001254361402 969576595 /nfs/dbraw/zinc/57/65/95/969576595.db2.gz YVSAPUSMZPFHOG-SNVBAGLBSA-N 0 1 226.707 2.004 20 0 BEADMN Cc1nc([C@H](C)N2CC(C)(C)C2(C)C)n[nH]1 ZINC001325221656 1169937282 /nfs/dbraw/zinc/93/72/82/1169937282.db2.gz FBOITGHRMSVSRB-QMMMGPOBSA-N 0 1 222.336 2.295 20 0 BEADMN Clc1ccc2n[nH]c(CN3CCC3)c2c1 ZINC001209749710 969601654 /nfs/dbraw/zinc/60/16/54/969601654.db2.gz ABTHBQTVGRYAKY-UHFFFAOYSA-N 0 1 221.691 2.422 20 0 BEADMN Clc1ccc2n[nH]c(CN3CCCO3)c2c1 ZINC001209750559 969602950 /nfs/dbraw/zinc/60/29/50/969602950.db2.gz JBBNHLBFWZHNCC-UHFFFAOYSA-N 0 1 237.690 2.354 20 0 BEADMN Fc1cccc2c1CCN([C@H]1CCCOC1)C2 ZINC001254387139 969603811 /nfs/dbraw/zinc/60/38/11/969603811.db2.gz ZWBMVPONXQNZGZ-LBPRGKRZSA-N 0 1 235.302 2.363 20 0 BEADMN Cc1cc(CNc2cccc3[nH]c(=O)oc32)n[nH]1 ZINC001324586809 969608550 /nfs/dbraw/zinc/60/85/50/969608550.db2.gz GZZPGEHVIIZVPF-UHFFFAOYSA-N 0 1 244.254 2.177 20 0 BEADMN CN(C)c1ccccc1CN1CC2(CSC2)C1 ZINC001209779534 969611641 /nfs/dbraw/zinc/61/16/41/969611641.db2.gz KXGJSSHGKLQXIB-UHFFFAOYSA-N 0 1 248.395 2.301 20 0 BEADMN C[C@H]1CCN(Cc2cnccn2)CCC1(F)F ZINC001209783778 969614786 /nfs/dbraw/zinc/61/47/86/969614786.db2.gz VLPGMEJPHSBVGH-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN Cn1cnc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209841468 969654642 /nfs/dbraw/zinc/65/46/42/969654642.db2.gz PXWZCAZFXHNKKT-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ncc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209842827 969656570 /nfs/dbraw/zinc/65/65/70/969656570.db2.gz QMAKIGAUKCXETK-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN O=c1cc(CNc2ccc(C3CC3)c[nH+]2)o[n-]1 ZINC001169484952 969657249 /nfs/dbraw/zinc/65/72/49/969657249.db2.gz CZRGSGOMIOMOEG-UHFFFAOYSA-N 0 1 231.255 2.265 20 0 BEADMN COc1cc(Cl)ccc1Nc1nnco1 ZINC001209904804 969684495 /nfs/dbraw/zinc/68/44/95/969684495.db2.gz QLBIZMMBVCXKKJ-UHFFFAOYSA-N 0 1 225.635 2.475 20 0 BEADMN Cc1cccc(Nc2cnc(N)cc2C)n1 ZINC001209961200 969721690 /nfs/dbraw/zinc/72/16/90/969721690.db2.gz DQJXKQDRJXMYMF-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cc(Nc2cnc(N)cc2C)no1 ZINC001209962716 969725233 /nfs/dbraw/zinc/72/52/33/969725233.db2.gz YZFCQDWQJMWYOU-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN COC(=O)c1occc1Nc1cnc(N)cc1C ZINC001209966632 969728354 /nfs/dbraw/zinc/72/83/54/969728354.db2.gz BOWOZRGKDWAMQL-UHFFFAOYSA-N 0 1 247.254 2.095 20 0 BEADMN Cc1ccc(O)c(Nc2cnc(N)cc2C)n1 ZINC001209968561 969737499 /nfs/dbraw/zinc/73/74/99/969737499.db2.gz VRGZIKNUYNWSLS-UHFFFAOYSA-N 0 1 230.271 2.125 20 0 BEADMN CCCCC=Nc1c(OC)ncnc1OC ZINC001210058306 969780327 /nfs/dbraw/zinc/78/03/27/969780327.db2.gz OCPMUFIDPYGDET-VOTSOKGWSA-N 0 1 223.276 2.220 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cnns1 ZINC001210103131 969801676 /nfs/dbraw/zinc/80/16/76/969801676.db2.gz WKJGGKJCGMYQAY-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN c1ccc([C@H]2COCC[N@@H+]2C2CCOCC2)cc1 ZINC001255039097 969861523 /nfs/dbraw/zinc/86/15/23/969861523.db2.gz SPJSPSVQWLSSFV-OAHLLOKOSA-N 0 1 247.338 2.239 20 0 BEADMN c1ccc([C@H]2COCCN2C2CCOCC2)cc1 ZINC001255039097 969861526 /nfs/dbraw/zinc/86/15/26/969861526.db2.gz SPJSPSVQWLSSFV-OAHLLOKOSA-N 0 1 247.338 2.239 20 0 BEADMN Cc1cc([C@H]2CCC[N@H+]2C2CCOCC2)no1 ZINC001255039133 969861776 /nfs/dbraw/zinc/86/17/76/969861776.db2.gz UOMFCJMHHMILBS-CYBMUJFWSA-N 0 1 236.315 2.299 20 0 BEADMN C[C@@H]1c2cccn2CCN1C1CCOCC1 ZINC001255045220 969863308 /nfs/dbraw/zinc/86/33/08/969863308.db2.gz ZQLIWGYYLIMAME-LLVKDONJSA-N 0 1 220.316 2.044 20 0 BEADMN COc1ncc(Nc2c(C)ncn2C)cc1C ZINC001210319322 969864066 /nfs/dbraw/zinc/86/40/66/969864066.db2.gz WYLMBHWWMODQEL-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN Cc1cc(Cl)cc(-n2cncc2N)c1 ZINC001210462926 969895348 /nfs/dbraw/zinc/89/53/48/969895348.db2.gz SWVJNUGDVYSSEK-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCC(=O)C1CC1 ZINC000767398308 969902147 /nfs/dbraw/zinc/90/21/47/969902147.db2.gz CBLHVRHHQWUNAS-CYBMUJFWSA-N 0 1 239.359 2.103 20 0 BEADMN CCc1nnc(CN2CC[C@H]3CCCC[C@H]3C2)[nH]1 ZINC001255095589 969932425 /nfs/dbraw/zinc/93/24/25/969932425.db2.gz KNYHBPPKSCZXAX-NEPJUHHUSA-N 0 1 248.374 2.379 20 0 BEADMN Cc1oncc1-n1c(N)nc2c1cccc2C ZINC001210576584 969950553 /nfs/dbraw/zinc/95/05/53/969950553.db2.gz RRAYZUJULSBISR-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN c1cnc2n[nH]c(-c3nnc(C4CCC4)o3)c2c1 ZINC001255161776 969971048 /nfs/dbraw/zinc/97/10/48/969971048.db2.gz WQJOEYSFLZMQQA-UHFFFAOYSA-N 0 1 241.254 2.275 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000689943749 969985936 /nfs/dbraw/zinc/98/59/36/969985936.db2.gz DIEPRJKJHMRBDN-VIFPVBQESA-N 0 1 227.329 2.086 20 0 BEADMN c1nc2ncc(-c3nnc(C4CCC4)o3)cc2[nH]1 ZINC001255174335 969987066 /nfs/dbraw/zinc/98/70/66/969987066.db2.gz IOQIWHSOFWUOPK-UHFFFAOYSA-N 0 1 241.254 2.275 20 0 BEADMN Cc1ncn(C)c1Nc1cc(O)ccc1F ZINC001210799911 970042934 /nfs/dbraw/zinc/04/29/34/970042934.db2.gz LFNIVABZWCMQTP-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN CCCCN(CC(=O)OCC)[C@H]1CCSC1 ZINC001255295135 970056954 /nfs/dbraw/zinc/05/69/54/970056954.db2.gz USGRFEBLOQAFNX-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN CCCC(=O)N1CCN(CCCC(C)C)CC1 ZINC001112597031 970100181 /nfs/dbraw/zinc/10/01/81/970100181.db2.gz CEALKGOVQGUKEG-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1nnc(CN)n1[C@@H](C)CCCC(C)C ZINC001170073902 970167009 /nfs/dbraw/zinc/16/70/09/970167009.db2.gz PJAFNSQPSFEESY-JTQLQIEISA-N 0 1 224.352 2.433 20 0 BEADMN c1nn2ccccc2c1-c1nccc2c1CCN2 ZINC001242962566 970178075 /nfs/dbraw/zinc/17/80/75/970178075.db2.gz RKMTWKIOQCFYAN-UHFFFAOYSA-N 0 1 236.278 2.364 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1cncc(CO)c1 ZINC001242971538 970183411 /nfs/dbraw/zinc/18/34/11/970183411.db2.gz SNSQTSPPBSCQJH-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1occc1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001211243222 970186056 /nfs/dbraw/zinc/18/60/56/970186056.db2.gz RRJSMLOATVRGIY-UHFFFAOYSA-N 0 1 229.239 2.215 20 0 BEADMN Cn1cncc1Nc1ncccc1OC(F)F ZINC001211247420 970193389 /nfs/dbraw/zinc/19/33/89/970193389.db2.gz ZMSBXNDOTDRBSN-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cn1cncc1Nc1cc(F)nc(F)c1Cl ZINC001211246532 970195152 /nfs/dbraw/zinc/19/51/52/970195152.db2.gz CSVDSTMMIIXBKE-UHFFFAOYSA-N 0 1 244.632 2.490 20 0 BEADMN Cc1cnc(Cl)c(Nc2cncn2C)c1N ZINC001211247395 970195276 /nfs/dbraw/zinc/19/52/76/970195276.db2.gz YVUUHDNYSZXYMW-UHFFFAOYSA-N 0 1 237.694 2.103 20 0 BEADMN CCc1cccc(Nc2cncn2C)n1 ZINC001211247239 970195320 /nfs/dbraw/zinc/19/53/20/970195320.db2.gz POTPXMXUNGAMIK-UHFFFAOYSA-N 0 1 202.261 2.121 20 0 BEADMN Cn1cncc1Nc1c(O)cccc1F ZINC001211249081 970196625 /nfs/dbraw/zinc/19/66/25/970196625.db2.gz IGZKGZVYNOBGSK-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN COc1cnccc1Nc1ccc(Cl)cn1 ZINC001211256762 970197530 /nfs/dbraw/zinc/19/75/30/970197530.db2.gz AHOMXTCVMXPMAU-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN Cn1cncc1Nc1ccccc1C1OCCO1 ZINC001211253219 970198241 /nfs/dbraw/zinc/19/82/41/970198241.db2.gz AXAQAFFYUIPIAB-UHFFFAOYSA-N 0 1 245.282 2.209 20 0 BEADMN Cc1cn(-c2cncn2C)c2cc(N)ccc12 ZINC001211252646 970199681 /nfs/dbraw/zinc/19/96/81/970199681.db2.gz SDQWNUUQGGMINL-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN Cn1cncc1Nc1ccc2oc(=O)[nH]c2c1 ZINC001211252645 970200779 /nfs/dbraw/zinc/20/07/79/970200779.db2.gz SDGLUPWJHNMTGF-UHFFFAOYSA-N 0 1 230.227 2.011 20 0 BEADMN COc1cnccc1Nc1cc(C)cc(C)n1 ZINC001211257250 970202956 /nfs/dbraw/zinc/20/29/56/970202956.db2.gz GNERQTKHNKBPED-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN COc1cnccc1-n1cnc2ccc(N)cc21 ZINC001211259594 970205253 /nfs/dbraw/zinc/20/52/53/970205253.db2.gz CKKVWOSWWQWMMW-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN COc1cnccc1Nc1ccc(O)cc1F ZINC001211260266 970206426 /nfs/dbraw/zinc/20/64/26/970206426.db2.gz JZPQSLYUUFLJAM-UHFFFAOYSA-N 0 1 234.230 2.100 20 0 BEADMN COc1cnccc1Nc1ccccc1C(C)=O ZINC001211263441 970208939 /nfs/dbraw/zinc/20/89/39/970208939.db2.gz RJERLFXDNOHGAD-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN COc1cnccc1Nc1cn(C2CCC2)cn1 ZINC001211263197 970213886 /nfs/dbraw/zinc/21/38/86/970213886.db2.gz VQURCCWIGQBCHD-UHFFFAOYSA-N 0 1 244.298 2.177 20 0 BEADMN Oc1cc(F)c(-c2nccn3ccnc23)cc1F ZINC001211352207 970247028 /nfs/dbraw/zinc/24/70/28/970247028.db2.gz IVTGIOXJFCDTRF-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN Cn1ncc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213162693 970288441 /nfs/dbraw/zinc/28/84/41/970288441.db2.gz JAEXSYTYFKUVAT-UHFFFAOYSA-N 0 1 231.303 2.251 20 0 BEADMN Cn1cc(Nc2ccnc(C(C)(C)C)c2)nn1 ZINC001213163224 970288920 /nfs/dbraw/zinc/28/89/20/970288920.db2.gz YULYXWRDKUWNBU-UHFFFAOYSA-N 0 1 231.303 2.251 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ncc(F)cn1 ZINC001170108604 970317539 /nfs/dbraw/zinc/31/75/39/970317539.db2.gz DKKIPMIREGKAKV-FXPVBKGRSA-N 0 1 223.295 2.455 20 0 BEADMN COC[C@H](C)NCc1c(F)cc(OC)cc1F ZINC001255558223 970339801 /nfs/dbraw/zinc/33/98/01/970339801.db2.gz GLEVHRDZBRANTH-QMMMGPOBSA-N 0 1 245.269 2.098 20 0 BEADMN C[C@H]1CC[C@H](n2c(CN)nc3cnccc32)C1 ZINC001170119464 970344866 /nfs/dbraw/zinc/34/48/66/970344866.db2.gz BGECOPVQBGETOZ-UWVGGRQHSA-N 0 1 230.315 2.251 20 0 BEADMN C[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc([O-])cc2)C1 ZINC001170120066 970350201 /nfs/dbraw/zinc/35/02/01/970350201.db2.gz DXBUGZMFENDLBL-JQWIXIFHSA-N 0 1 233.311 2.353 20 0 BEADMN COC[C@@H](C)N[C@@H](c1ncccc1F)C1CC1 ZINC001255565639 970357326 /nfs/dbraw/zinc/35/73/26/970357326.db2.gz VKVBXVPCQJLWTL-BXKDBHETSA-N 0 1 238.306 2.296 20 0 BEADMN COC[C@H](C)N[C@@H](c1ncccc1F)C1CC1 ZINC001255565641 970358572 /nfs/dbraw/zinc/35/85/72/970358572.db2.gz VKVBXVPCQJLWTL-JOYOIKCWSA-N 0 1 238.306 2.296 20 0 BEADMN COC[C@H](C)N(C)Cc1cn2ccc(C)cc2n1 ZINC001255577258 970377780 /nfs/dbraw/zinc/37/77/80/970377780.db2.gz AUSYFQLWFWEHHY-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN COC[C@H](C)N(Cc1ccco1)C1CC1 ZINC001255582078 970384897 /nfs/dbraw/zinc/38/48/97/970384897.db2.gz PSTUYIJNRVEMNC-JTQLQIEISA-N 0 1 209.289 2.279 20 0 BEADMN COc1cccc(C2CC2)c1-n1cncc1N ZINC001213813522 970386739 /nfs/dbraw/zinc/38/67/39/970386739.db2.gz JYEIZRXCOLHZFZ-UHFFFAOYSA-N 0 1 229.283 2.341 20 0 BEADMN C[C@@H](CC(F)(F)F)NCc1ccno1 ZINC001255633196 970408649 /nfs/dbraw/zinc/40/86/49/970408649.db2.gz IUJVGQZBCNPXMH-LURJTMIESA-N 0 1 208.183 2.105 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CC[C@@H](C)C1 ZINC001170149068 970446714 /nfs/dbraw/zinc/44/67/14/970446714.db2.gz KEOZCTOQTULERT-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN COCOc1ccc(C)cc1Nc1nnco1 ZINC001214233798 970476174 /nfs/dbraw/zinc/47/61/74/970476174.db2.gz IJPNTNXIXFFDSP-UHFFFAOYSA-N 0 1 235.243 2.104 20 0 BEADMN Cc1cnc(-c2ccc(O)c(F)c2F)cn1 ZINC001243337890 970481697 /nfs/dbraw/zinc/48/16/97/970481697.db2.gz FVIUPVQENWEJDZ-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cc1ccc(O)cc1Nc1cncn1C ZINC001214341469 970488851 /nfs/dbraw/zinc/48/88/51/970488851.db2.gz YRSDAYMJUYTNDF-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN CC[C@H]1C[C@@H](NCc2nc(C)oc2C)CCO1 ZINC001170159739 970496545 /nfs/dbraw/zinc/49/65/45/970496545.db2.gz COCTVTAIWHHZIQ-RYUDHWBXSA-N 0 1 238.331 2.339 20 0 BEADMN CC[C@H]1C[C@@H](NCc2nc(C)co2)CCO1 ZINC001170162372 970508142 /nfs/dbraw/zinc/50/81/42/970508142.db2.gz SOQJVUTVLKJWHH-QWRGUYRKSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@H](Cc1ccccc1F)N1CC2(CC(O)C2)C1 ZINC001255842880 970512473 /nfs/dbraw/zinc/51/24/73/970512473.db2.gz ZRQJLJXDTPFQKC-LLVKDONJSA-N 0 1 249.329 2.213 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@@H](C)Cc1ccccc1F ZINC001255840740 970512929 /nfs/dbraw/zinc/51/29/29/970512929.db2.gz HVXPJEHOQLCPQB-LBPRGKRZSA-N 0 1 237.342 2.242 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)Cc1ccccc1F ZINC001255840740 970512938 /nfs/dbraw/zinc/51/29/38/970512938.db2.gz HVXPJEHOQLCPQB-LBPRGKRZSA-N 0 1 237.342 2.242 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)n1ccnc1CN ZINC001255855631 970524622 /nfs/dbraw/zinc/52/46/22/970524622.db2.gz GINSUOFZNIFKQE-JTQLQIEISA-N 0 1 233.290 2.285 20 0 BEADMN COc1ccc(F)c(Nc2ccncc2)c1OC ZINC001214689462 970527099 /nfs/dbraw/zinc/52/70/99/970527099.db2.gz NPHWWFOAKHCBGM-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN C[C@@H](Cc1ccc(F)cc1)N1CCOC[C@H]1C ZINC001255868493 970531442 /nfs/dbraw/zinc/53/14/42/970531442.db2.gz NKOCGTXZXYZMGP-NWDGAFQWSA-N 0 1 237.318 2.477 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400070573 970548084 /nfs/dbraw/zinc/54/80/84/970548084.db2.gz GXEFLCYKKGPHBJ-JTQLQIEISA-N 0 1 235.283 2.210 20 0 BEADMN CC[C@H]1C[C@H](N2CC3(C2)CCCCO3)CCO1 ZINC001170208116 970579581 /nfs/dbraw/zinc/57/95/81/970579581.db2.gz OSQWGBISARBPGN-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN CCCOC1CN([C@@H]2CCO[C@@H](CC)C2)C1 ZINC001170217918 970584409 /nfs/dbraw/zinc/58/44/09/970584409.db2.gz CEIHMOLIKUYZSL-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC=C(c2ccco2)C1 ZINC001609890018 970591495 /nfs/dbraw/zinc/59/14/95/970591495.db2.gz LSOZTVIHWDFNGJ-LLVKDONJSA-N 0 1 235.283 2.232 20 0 BEADMN CC[C@@H]1C[C@H](N2CCn3cccc3C2)CCO1 ZINC001170221149 970593567 /nfs/dbraw/zinc/59/35/67/970593567.db2.gz KDDNSFUFQAIJLS-TZMCWYRMSA-N 0 1 234.343 2.261 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCCC1CC1 ZINC000400756490 970622601 /nfs/dbraw/zinc/62/26/01/970622601.db2.gz VTPOYAJCHHTNSO-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN COc1cccc(C[C@@H](C)n2ccnc2CN)c1 ZINC001256141694 970670615 /nfs/dbraw/zinc/67/06/15/970670615.db2.gz SRYKQAWAFAZUNJ-LLVKDONJSA-N 0 1 245.326 2.154 20 0 BEADMN Cn1cncc1Nc1ccc(F)c2n[nH]cc21 ZINC001215371073 970726214 /nfs/dbraw/zinc/72/62/14/970726214.db2.gz ORWNUNZVSGBZLH-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN Nc1cncn1-c1ccc(F)c(F)c1Cl ZINC001215401378 970744892 /nfs/dbraw/zinc/74/48/92/970744892.db2.gz JBLVCKCIKXHECB-UHFFFAOYSA-N 0 1 229.617 2.386 20 0 BEADMN CCCCN(CC)CN1CC2(CC2)CC1=O ZINC001327342941 972555331 /nfs/dbraw/zinc/55/53/31/972555331.db2.gz YUENAPQAOWZGEE-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN C[N@@H+](Cc1nc(C(=O)[O-])cs1)CC(C)(C)C ZINC000393214001 972570956 /nfs/dbraw/zinc/57/09/56/972570956.db2.gz LYAWGGDVZDJZGG-UHFFFAOYSA-N 0 1 242.344 2.319 20 0 BEADMN Cc1ccc([C@@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001327538478 972622718 /nfs/dbraw/zinc/62/27/18/972622718.db2.gz SLCXCGGPMVBPMP-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN CC[C@](C)(NCc1nnc[nH]1)c1ccccc1 ZINC001327555047 972636256 /nfs/dbraw/zinc/63/62/56/972636256.db2.gz QJKFVLPUQQQKKA-ZDUSSCGKSA-N 0 1 230.315 2.220 20 0 BEADMN CSC1CCN(Cc2ccc(O)cn2)CC1 ZINC001144258921 972706606 /nfs/dbraw/zinc/70/66/06/972706606.db2.gz JCQBEZWGRAKZKK-UHFFFAOYSA-N 0 1 238.356 2.115 20 0 BEADMN CCc1cccc(CN(C)CC(OC)OC)c1 ZINC001144323450 972761222 /nfs/dbraw/zinc/76/12/22/972761222.db2.gz DVOMAZGHBNTPMM-UHFFFAOYSA-N 0 1 237.343 2.300 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1ccncc1F ZINC001223007905 972797057 /nfs/dbraw/zinc/79/70/57/972797057.db2.gz RFJXVMHLVWBLPZ-MRVPVSSYSA-N 0 1 221.235 2.222 20 0 BEADMN FC1(F)CC[C@@H](OCc2cnc[nH]2)C1 ZINC001223007829 972797411 /nfs/dbraw/zinc/79/74/11/972797411.db2.gz PBSRHRUKLFABNE-MRVPVSSYSA-N 0 1 202.204 2.114 20 0 BEADMN C(O[C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1nn[nH]n1 ZINC001223027476 972805950 /nfs/dbraw/zinc/80/59/50/972805950.db2.gz POCBWXHPMBETOZ-AXFHLTTASA-N 0 1 236.319 2.075 20 0 BEADMN C[C@H](CC1CCCCC1)C(=O)Nc1c[nH]nn1 ZINC001327914269 972806406 /nfs/dbraw/zinc/80/64/06/972806406.db2.gz UMCSUJAUHIVHRS-SECBINFHSA-N 0 1 236.319 2.350 20 0 BEADMN FCCN1CCC(OCc2ccco2)CC1 ZINC001223051963 972825744 /nfs/dbraw/zinc/82/57/44/972825744.db2.gz BNPXCUVHIPLIHF-UHFFFAOYSA-N 0 1 227.279 2.230 20 0 BEADMN COc1ncc(CN2CC[C@H](C)C2)cc1F ZINC001144454809 972825961 /nfs/dbraw/zinc/82/59/61/972825961.db2.gz KNYLWXCSHSWCNV-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN Cc1cc(CN2CCOCC23CCCCC3)n[nH]1 ZINC001327952413 972826235 /nfs/dbraw/zinc/82/62/35/972826235.db2.gz RHYNIPSTYVZOJY-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN CCN(Cc1cc(C)[nH]n1)c1cccc(O)c1 ZINC001327952318 972826284 /nfs/dbraw/zinc/82/62/84/972826284.db2.gz PFPIIGXKPJTHLD-UHFFFAOYSA-N 0 1 231.299 2.450 20 0 BEADMN COc1ncc(CN2C[C@H]3CC[C@@H]2C3)cc1F ZINC001144468635 972833295 /nfs/dbraw/zinc/83/32/95/972833295.db2.gz QCMYXTJZAHVJCF-GXSJLCMTSA-N 0 1 236.290 2.214 20 0 BEADMN C[C@@H]1[C@H](C)SCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000395821399 972834119 /nfs/dbraw/zinc/83/41/19/972834119.db2.gz SENBGMJHCYVLDN-ZJUUUORDSA-N 0 1 245.388 2.313 20 0 BEADMN CCn1nccc1CNCc1cccn1C1CC1 ZINC001328020063 972852583 /nfs/dbraw/zinc/85/25/83/972852583.db2.gz UHNUFFLRFRLZDX-UHFFFAOYSA-N 0 1 244.342 2.329 20 0 BEADMN Cc1cc(C)nc(SCc2nnc[nH]2)c1 ZINC001328033090 972855849 /nfs/dbraw/zinc/85/58/49/972855849.db2.gz OYNJBJLWEZXJJV-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CCCN(C)Cc1ncn2ccccc12 ZINC001144610684 972885070 /nfs/dbraw/zinc/88/50/70/972885070.db2.gz ARBYJJRFSSNUPI-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN c1cc2cccc(CN3C[C@@H]4C[C@H]3CO4)c2[nH]1 ZINC001144717424 972956614 /nfs/dbraw/zinc/95/66/14/972956614.db2.gz QOZNZTWEZMKKMG-STQMWFEESA-N 0 1 228.295 2.141 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)c1cnc(C2CC2)[nH]1 ZINC001328525167 973125459 /nfs/dbraw/zinc/12/54/59/973125459.db2.gz JWANVAMJQVBXLK-JTQLQIEISA-N 0 1 247.342 2.405 20 0 BEADMN FCCN1CCC(OCc2cscn2)CC1 ZINC001223561895 973167978 /nfs/dbraw/zinc/16/79/78/973167978.db2.gz CZHVQNVTDMGOKU-UHFFFAOYSA-N 0 1 244.335 2.094 20 0 BEADMN CC(C)CN(C)Cc1cn(C)nc1Cl ZINC001328590337 973168924 /nfs/dbraw/zinc/16/89/24/973168924.db2.gz KRBOPJQQHSQNGW-UHFFFAOYSA-N 0 1 215.728 2.161 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)CCc1cc(C)[nH]n1 ZINC001146699717 973199380 /nfs/dbraw/zinc/19/93/80/973199380.db2.gz PLPJARCKQUBCFC-SNVBAGLBSA-N 0 1 237.347 2.155 20 0 BEADMN Cc1c(C(=O)N[C@@H]2C=CCC2)ccc2cncn21 ZINC001328646999 973221202 /nfs/dbraw/zinc/22/12/02/973221202.db2.gz HTDCZZUSBLZWOM-LLVKDONJSA-N 0 1 241.294 2.091 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000399528402 973225498 /nfs/dbraw/zinc/22/54/98/973225498.db2.gz FZSMEZIBVDUCTC-OPRDCNLKSA-N 0 1 237.299 2.454 20 0 BEADMN Cc1[nH+]c(N2CC[C@H](C3CC3)C2)ccc1C(=O)[O-] ZINC000400049820 973249630 /nfs/dbraw/zinc/24/96/30/973249630.db2.gz WFPRDHNOZIPXEG-NSHDSACASA-N 0 1 246.310 2.325 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400076832 973250890 /nfs/dbraw/zinc/25/08/90/973250890.db2.gz LCSHPJLKHASKFM-NEPJUHHUSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[N@@H+](CC2=CCCC2)CC[C@H]1C(=O)[O-] ZINC000401109900 973342248 /nfs/dbraw/zinc/34/22/48/973342248.db2.gz JARILSRQSSQBSW-CMPLNLGQSA-N 0 1 223.316 2.139 20 0 BEADMN CC(=O)c1ccc(CN(C[C@H](C)O)C2CC2)cc1 ZINC001329019305 973435564 /nfs/dbraw/zinc/43/55/64/973435564.db2.gz UNWAITUJCAIMRO-NSHDSACASA-N 0 1 247.338 2.234 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1cc(F)ccc1F ZINC001276949462 973459451 /nfs/dbraw/zinc/45/94/51/973459451.db2.gz OBNUPCFJPSZNBN-PHIMTYICSA-N 0 1 238.281 2.248 20 0 BEADMN CC1(NCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC001331497680 1169962034 /nfs/dbraw/zinc/96/20/34/1169962034.db2.gz IYKXOIOECWQQKG-UHFFFAOYSA-N 0 1 246.289 2.049 20 0 BEADMN CC(C)(C)N1CC(OCCc2ccccn2)C1 ZINC001224445109 973647802 /nfs/dbraw/zinc/64/78/02/973647802.db2.gz CSOMPNRWZRFXKC-UHFFFAOYSA-N 0 1 234.343 2.123 20 0 BEADMN C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(C)(C)C(=O)[O-] ZINC000403265788 973669145 /nfs/dbraw/zinc/66/91/45/973669145.db2.gz ZDZOQCJZMBPMKI-MXWKQRLJSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)[N@@H+](CC=C(Cl)Cl)CC(=O)[O-] ZINC000403339766 973672623 /nfs/dbraw/zinc/67/26/23/973672623.db2.gz TWXNPMAROVBMBY-UHFFFAOYSA-N 0 1 226.103 2.100 20 0 BEADMN COC1(CNCc2nc(C)c(C)s2)CCC1 ZINC000234728518 973728462 /nfs/dbraw/zinc/72/84/62/973728462.db2.gz RAHQVMCEMWBADF-UHFFFAOYSA-N 0 1 240.372 2.419 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC001147855092 973779122 /nfs/dbraw/zinc/77/91/22/973779122.db2.gz WSOHRGZDHBZPTA-AOOOYVTPSA-N 0 1 243.310 2.291 20 0 BEADMN CN1CC(c2nc(-c3ccccc3Cl)no2)C1 ZINC001247372680 973868852 /nfs/dbraw/zinc/86/88/52/973868852.db2.gz MMRMDPDGVBCSMF-UHFFFAOYSA-N 0 1 249.701 2.419 20 0 BEADMN CCC1(CNC(=O)c2cccc3nc[nH]c32)CC1 ZINC001148753730 973888910 /nfs/dbraw/zinc/88/89/10/973888910.db2.gz LHWMKBQMTWSCBP-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN C[C@@H]1CN([C@H]2CCc3c(F)cccc3C2)CCO1 ZINC001171421920 974033499 /nfs/dbraw/zinc/03/34/99/974033499.db2.gz MVLNTCTZIQDHEA-YPMHNXCESA-N 0 1 249.329 2.404 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171423020 974034432 /nfs/dbraw/zinc/03/44/32/974034432.db2.gz WRCBWYZEIGJWRE-GFCCVEGCSA-N 0 1 235.302 2.204 20 0 BEADMN Cc1ncc(Cl)cc1Nc1nccnc1CN ZINC001171449990 974072980 /nfs/dbraw/zinc/07/29/80/974072980.db2.gz RPTSPXBSYHUIPU-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN Cc1cccc2c1CC[C@H](N1CCO[C@@H]3C[C@@H]31)C2 ZINC001171573163 974105781 /nfs/dbraw/zinc/10/57/81/974105781.db2.gz HAMNXTRCFIOQMZ-CWRNSKLLSA-N 0 1 243.350 2.325 20 0 BEADMN C[N@H+]1[C@@H]2C[C@H](OCC3=CCCCC3)[C@H]1CC(=O)C2 ZINC001224999499 974132002 /nfs/dbraw/zinc/13/20/02/974132002.db2.gz XJHOGRPPVZWBOD-CFVMTHIKSA-N 0 1 249.354 2.308 20 0 BEADMN CN1[C@@H]2C[C@H](OCC3=CCCCC3)[C@H]1CC(=O)C2 ZINC001224999499 974132009 /nfs/dbraw/zinc/13/20/09/974132009.db2.gz XJHOGRPPVZWBOD-CFVMTHIKSA-N 0 1 249.354 2.308 20 0 BEADMN Fc1cccc2c1C[C@H](NCc1ccon1)C2 ZINC001171773725 974156477 /nfs/dbraw/zinc/15/64/77/974156477.db2.gz OLDGDVHPBUSDSM-LLVKDONJSA-N 0 1 232.258 2.071 20 0 BEADMN Cc1ccc(F)c(N2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001277013905 974177546 /nfs/dbraw/zinc/17/75/46/974177546.db2.gz JHGTZYQXWOPNBW-TXEJJXNPSA-N 0 1 234.318 2.417 20 0 BEADMN Fc1cccc2c1C[C@H](N(C1CC1)C1COC1)C2 ZINC001171806442 974195244 /nfs/dbraw/zinc/19/52/44/974195244.db2.gz FNDLOANTNLNTQT-GFCCVEGCSA-N 0 1 247.313 2.156 20 0 BEADMN C[C@H]1CN([C@@H]2Cc3cccc(F)c3C2)C[C@H](C)O1 ZINC001171807221 974199025 /nfs/dbraw/zinc/19/90/25/974199025.db2.gz SEPHZGOISWUEIT-GMXVVIOVSA-N 0 1 249.329 2.402 20 0 BEADMN C[C@@H]1CN([C@@H]2Cc3cccc(F)c3C2)[C@H](C)CO1 ZINC001171806769 974205763 /nfs/dbraw/zinc/20/57/63/974205763.db2.gz KISALFCXULBWNT-NQBHXWOUSA-N 0 1 249.329 2.402 20 0 BEADMN FC1(F)[C@@H]2CC[C@@H](NCc3csnn3)C[C@@H]21 ZINC001330315776 974228795 /nfs/dbraw/zinc/22/87/95/974228795.db2.gz KZNQYLPPFOZTCH-VDAHYXPESA-N 0 1 245.298 2.062 20 0 BEADMN Cc1ccc(NCc2nnc[nH]2)c(C)c1 ZINC001330608932 974357248 /nfs/dbraw/zinc/35/72/48/974357248.db2.gz NVFUZRSLCNJMDX-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cccc([C@H](C)[S@@](=O)Cc2nc[nH]n2)c1 ZINC001330620553 974365477 /nfs/dbraw/zinc/36/54/77/974365477.db2.gz GLZPXDJXEAVSET-BTDLBPIBSA-N 0 1 249.339 2.123 20 0 BEADMN Cc1cccc([C@H](C)[S@](=O)Cc2nc[nH]n2)c1 ZINC001330620555 974366970 /nfs/dbraw/zinc/36/69/70/974366970.db2.gz GLZPXDJXEAVSET-DYZYQPBXSA-N 0 1 249.339 2.123 20 0 BEADMN C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1[CH]CC=C1)C2 ZINC001172108490 974371613 /nfs/dbraw/zinc/37/16/13/974371613.db2.gz APGNVGBEMHBVAZ-FQUUOJAGSA-N 0 1 219.352 2.124 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1[CH]CC=C1)C2 ZINC001172108490 974371624 /nfs/dbraw/zinc/37/16/24/974371624.db2.gz APGNVGBEMHBVAZ-FQUUOJAGSA-N 0 1 219.352 2.124 20 0 BEADMN CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1[CH]CC=C1)C2 ZINC001172108490 974371632 /nfs/dbraw/zinc/37/16/32/974371632.db2.gz APGNVGBEMHBVAZ-FQUUOJAGSA-N 0 1 219.352 2.124 20 0 BEADMN Fc1ccc(O[C@@H]2CN3CCC2CC3)c(F)c1 ZINC001225314126 974390283 /nfs/dbraw/zinc/39/02/83/974390283.db2.gz DCNZOLCOAIACQX-CYBMUJFWSA-N 0 1 239.265 2.438 20 0 BEADMN CN1CCC[C@H](Oc2ccc(F)cc2F)C1 ZINC001225315640 974391169 /nfs/dbraw/zinc/39/11/69/974391169.db2.gz SZHBECBRBXDDLS-JTQLQIEISA-N 0 1 227.254 2.438 20 0 BEADMN NCc1nccn1[C@@H]1CSc2ccccc2C1 ZINC001172191928 974399730 /nfs/dbraw/zinc/39/97/30/974399730.db2.gz WMCHZUHMBQPIHN-NSHDSACASA-N 0 1 245.351 2.231 20 0 BEADMN NCc1nccn1[C@H]1CSc2ccccc2C1 ZINC001172191927 974400626 /nfs/dbraw/zinc/40/06/26/974400626.db2.gz WMCHZUHMBQPIHN-LLVKDONJSA-N 0 1 245.351 2.231 20 0 BEADMN c1cc(CN[C@H]2CSc3ccccc3C2)on1 ZINC001172190366 974401521 /nfs/dbraw/zinc/40/15/21/974401521.db2.gz KXABLKYEGWGAMY-LLVKDONJSA-N 0 1 246.335 2.481 20 0 BEADMN CC[C@H](C)c1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001330687281 974415009 /nfs/dbraw/zinc/41/50/09/974415009.db2.gz IKAKRWFNTIVXLW-JTQLQIEISA-N 0 1 231.299 2.216 20 0 BEADMN Cc1nc2c(o1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172229751 974470422 /nfs/dbraw/zinc/47/04/22/974470422.db2.gz PQMHWTGHOWBQEN-YOGCLGLASA-N 0 1 248.326 2.051 20 0 BEADMN Cc1nc2c(o1)CCN(C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172229751 974470430 /nfs/dbraw/zinc/47/04/30/974470430.db2.gz PQMHWTGHOWBQEN-YOGCLGLASA-N 0 1 248.326 2.051 20 0 BEADMN CCC(=O)CN[C@@H]1CSc2ccccc2C1 ZINC001172195764 974481810 /nfs/dbraw/zinc/48/18/10/974481810.db2.gz BRRIOVZXOVIVDT-NSHDSACASA-N 0 1 235.352 2.272 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172375657 974575202 /nfs/dbraw/zinc/57/52/02/974575202.db2.gz WKPOUFNWXHQTLA-WHOHXGKFSA-N 0 1 227.348 2.304 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCO[C@@H](C)C1 ZINC001172328062 974591899 /nfs/dbraw/zinc/59/18/99/974591899.db2.gz ARCMYQFWNIQNIZ-AVGNSLFASA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)n1c(C)cnc1CN ZINC001172331923 974592992 /nfs/dbraw/zinc/59/29/92/974592992.db2.gz ZQMGFBHGTPDHLL-ZYHUDNBSSA-N 0 1 239.363 2.416 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N(C)CC(C)=O ZINC001172333991 974601034 /nfs/dbraw/zinc/60/10/34/974601034.db2.gz BCKJXWPOXLSOBX-ZYHUDNBSSA-N 0 1 215.337 2.101 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCOC[C@H]1C ZINC001172340852 974607299 /nfs/dbraw/zinc/60/72/99/974607299.db2.gz RKWFAGAESSLDPQ-XQQFMLRXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1C[C@H]2CC[C@@H]1CO2 ZINC001172363066 974635632 /nfs/dbraw/zinc/63/56/32/974635632.db2.gz ZXQIRVOXRKBPOA-IGQOVBAYSA-N 0 1 241.375 2.443 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172367698 974647927 /nfs/dbraw/zinc/64/79/27/974647927.db2.gz MOMAIVJMIQOXBK-FRRDWIJNSA-N 0 1 211.373 2.296 20 0 BEADMN CCN1CC[C@H](Oc2c(O)cccc2F)C1 ZINC001225799871 974686467 /nfs/dbraw/zinc/68/64/67/974686467.db2.gz DBIPQKXBSUERGL-VIFPVBQESA-N 0 1 225.263 2.004 20 0 BEADMN Cc1nnc(SC2CC(OC(C)C)C2)[nH]1 ZINC001331365291 974695169 /nfs/dbraw/zinc/69/51/69/974695169.db2.gz FXNLSRUTYGWOOI-UHFFFAOYSA-N 0 1 227.333 2.161 20 0 BEADMN C[C@@H](Cc1ccccc1)Oc1[nH]c(=O)ncc1F ZINC001225883109 974715295 /nfs/dbraw/zinc/71/52/95/974715295.db2.gz YMBQERSVVSZIJK-VIFPVBQESA-N 0 1 248.257 2.331 20 0 BEADMN CCOCC[C@@H](C)N1CCC(=O)C(C)(C)C1 ZINC001172434061 974722540 /nfs/dbraw/zinc/72/25/40/974722540.db2.gz UFIMGWGYIMAJFZ-LLVKDONJSA-N 0 1 227.348 2.103 20 0 BEADMN CC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C)[C@@H](C)C2)CCO1 ZINC001172384145 974729113 /nfs/dbraw/zinc/72/91/13/974729113.db2.gz UJWCOHHUKZKXRG-WVWOOGAGSA-N 0 1 239.359 2.101 20 0 BEADMN CN1CCC[C@@H](Oc2cccc(F)c2F)C1 ZINC001225922680 974729489 /nfs/dbraw/zinc/72/94/89/974729489.db2.gz LTXSWGUYLXQEJO-SECBINFHSA-N 0 1 227.254 2.438 20 0 BEADMN CC1(C)C[C@@H](Oc2cccc3[nH]nnc32)CCO1 ZINC001225990726 974751424 /nfs/dbraw/zinc/75/14/24/974751424.db2.gz IGIATRKMSJHKBO-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN CN(C)c1ncc(CN2CCC(F)CC2)s1 ZINC001331580245 974768158 /nfs/dbraw/zinc/76/81/58/974768158.db2.gz MRAOCLSFBJZFST-UHFFFAOYSA-N 0 1 243.351 2.143 20 0 BEADMN CC(C)COCC[C@H](C)N1CC2(C1)CCCO2 ZINC001172473982 974770756 /nfs/dbraw/zinc/77/07/56/974770756.db2.gz NQVHRNRARWQJSP-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cc([NH+]=C([O-])NOCC(C)C)sn1 ZINC001331714770 974802071 /nfs/dbraw/zinc/80/20/71/974802071.db2.gz CKORLESGQHLFSM-UHFFFAOYSA-N 0 1 229.305 2.161 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCCC[C@@H]2C)n1 ZINC001226156774 974810924 /nfs/dbraw/zinc/81/09/24/974810924.db2.gz QUBYBSUYLSQRQE-WCBMZHEXSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCC(F)(F)C2)n1 ZINC001226159851 974814218 /nfs/dbraw/zinc/81/42/18/974814218.db2.gz YDKLKPMAAZCRAN-SSDOTTSWSA-N 0 1 230.214 2.057 20 0 BEADMN Cc1cc(CN[C@H]2C[C@]2(F)c2ccccc2)n[nH]1 ZINC001331838199 974832844 /nfs/dbraw/zinc/83/28/44/974832844.db2.gz PBWVBMPXDZLCNQ-KBPBESRZSA-N 0 1 245.301 2.445 20 0 BEADMN CCC[C@H](Oc1nccc(=O)[nH]1)C(C)C ZINC001226324378 974851154 /nfs/dbraw/zinc/85/11/54/974851154.db2.gz NOXZPIZTMBCSLJ-VIFPVBQESA-N 0 1 210.277 2.386 20 0 BEADMN C[S@](=O)c1ccc(CNCC(C)(C)F)cc1 ZINC001331891026 974852772 /nfs/dbraw/zinc/85/27/72/974852772.db2.gz BFSMFOURTBCWIR-INIZCTEOSA-N 0 1 243.347 2.262 20 0 BEADMN CO[C@H]1CCCC[C@@H]1Oc1n[nH]c2ncccc12 ZINC001226306849 974852818 /nfs/dbraw/zinc/85/28/18/974852818.db2.gz YTDOLDYZGGGYRX-QWRGUYRKSA-N 0 1 247.298 2.294 20 0 BEADMN C[C@@H]1CC(Oc2nccc(=O)[nH]2)C[C@@H](C)C1 ZINC001226324759 974855520 /nfs/dbraw/zinc/85/55/20/974855520.db2.gz UQHRWCSEQCBXLL-IUCAKERBSA-N 0 1 222.288 2.386 20 0 BEADMN C[C@@H](Oc1nccc(=O)[nH]1)c1ccc(F)cc1 ZINC001226324267 974856054 /nfs/dbraw/zinc/85/60/54/974856054.db2.gz JMOYIRSORYYZIC-MRVPVSSYSA-N 0 1 234.230 2.461 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)c1cccc(F)c1 ZINC001226324398 974856590 /nfs/dbraw/zinc/85/65/90/974856590.db2.gz OFCFFHSGRJMGKT-QMMMGPOBSA-N 0 1 234.230 2.461 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324276 974856928 /nfs/dbraw/zinc/85/69/28/974856928.db2.gz JRFDJUOYYRZDSX-UTLUCORTSA-N 0 1 222.288 2.386 20 0 BEADMN O=c1ccnc(O[C@H]2CCc3cc(F)ccc32)[nH]1 ZINC001226326855 974858461 /nfs/dbraw/zinc/85/84/61/974858461.db2.gz OMSPUBMXUJKQNR-NSHDSACASA-N 0 1 246.241 2.388 20 0 BEADMN O=c1ccnc(O[C@@H](c2cccnc2)C2CC2)[nH]1 ZINC001226327084 974858832 /nfs/dbraw/zinc/85/88/32/974858832.db2.gz QCOCVVHYJHLAIN-GFCCVEGCSA-N 0 1 243.266 2.107 20 0 BEADMN Cc1cnc(F)c([C@H](C)Oc2nccc(=O)[nH]2)c1 ZINC001226325905 974859339 /nfs/dbraw/zinc/85/93/39/974859339.db2.gz GRQIBOMPTHEDCL-QMMMGPOBSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2cccc(C)n2)no1 ZINC001212669915 974872827 /nfs/dbraw/zinc/87/28/27/974872827.db2.gz WUQADUOUCPSSIH-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN COC[C@H](C)Oc1cc(N)nc2ccccc21 ZINC001226419458 974892168 /nfs/dbraw/zinc/89/21/68/974892168.db2.gz VTHSBFPOUVYTAO-VIFPVBQESA-N 0 1 232.283 2.231 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2cc(C)ccn2)no1 ZINC001212678594 974903930 /nfs/dbraw/zinc/90/39/30/974903930.db2.gz HUMNPAHMRJVITL-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2cccc(C)n2)no1 ZINC001212678796 974905493 /nfs/dbraw/zinc/90/54/93/974905493.db2.gz QXMRDODYWVPQOK-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN Cc1ccc2nc(OC[C@H]3CCCO3)[nH]c2c1 ZINC001226506949 974930623 /nfs/dbraw/zinc/93/06/23/974930623.db2.gz VHMHCWGZPZUQTO-SNVBAGLBSA-N 0 1 232.283 2.429 20 0 BEADMN CC(C)OC(=O)CC[C@H](C)N1CC(C(F)F)C1 ZINC001172765869 974933299 /nfs/dbraw/zinc/93/32/99/974933299.db2.gz BDTJHDYDBXGBNJ-VIFPVBQESA-N 0 1 249.301 2.304 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000170779037 974934343 /nfs/dbraw/zinc/93/43/43/974934343.db2.gz PIKDVXYSTNNKEB-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CO[C@H]1CCC[C@H](NCc2nc(C)co2)C1 ZINC001172915681 974965016 /nfs/dbraw/zinc/96/50/16/974965016.db2.gz UWIXOLRXQPZIAI-QWRGUYRKSA-N 0 1 224.304 2.030 20 0 BEADMN CC(=O)Nc1ccc(Nc2ccncc2)cc1F ZINC001212700133 975010562 /nfs/dbraw/zinc/01/05/62/975010562.db2.gz VFUDXNVKQIKDIM-UHFFFAOYSA-N 0 1 245.257 2.345 20 0 BEADMN CC(=O)Nc1ccc(Nc2cncn2C)cc1F ZINC001212701721 975012520 /nfs/dbraw/zinc/01/25/20/975012520.db2.gz IMDYFHLOYFEFBE-UHFFFAOYSA-N 0 1 248.261 2.261 20 0 BEADMN Cc1[nH]c(=O)nc(OC(C)C)c1Br ZINC001226780816 975080060 /nfs/dbraw/zinc/08/00/60/975080060.db2.gz AFITXHREHZGPMO-UHFFFAOYSA-N 0 1 247.092 2.040 20 0 BEADMN Cc1nocc1-n1c(N)nc2c1cccc2C ZINC001212717463 975102416 /nfs/dbraw/zinc/10/24/16/975102416.db2.gz GVADEUUHUWSETI-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN Cc1cn[nH]c1CSCc1ncc(C)cn1 ZINC001332438399 975126234 /nfs/dbraw/zinc/12/62/34/975126234.db2.gz PKYJDOXNHVSLFF-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CC[C@H]1CC[C@@H](N[C@H]2CCSC2=O)C1 ZINC001173266548 975133897 /nfs/dbraw/zinc/13/38/97/975133897.db2.gz MDMACEBPFXQXBH-AEJSXWLSSA-N 0 1 213.346 2.187 20 0 BEADMN CC[C@@H]1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC001173272620 975148410 /nfs/dbraw/zinc/14/84/10/975148410.db2.gz KATREEBDMSGBCI-VXGBXAGGSA-N 0 1 219.332 2.487 20 0 BEADMN CC1=C(Oc2ccc3nc[nH]c3c2)C(=O)O[C@H]1C ZINC001226928775 975155770 /nfs/dbraw/zinc/15/57/70/975155770.db2.gz RGBJFQBQLJEXTC-QMMMGPOBSA-N 0 1 244.250 2.161 20 0 BEADMN CC1=C[C@H](Oc2ccc3nc[nH]c3c2)CC(=O)O1 ZINC001226928825 975156726 /nfs/dbraw/zinc/15/67/26/975156726.db2.gz SMYFKUASXLVCCW-JTQLQIEISA-N 0 1 244.250 2.161 20 0 BEADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1cncnc1 ZINC001226928873 975156789 /nfs/dbraw/zinc/15/67/89/975156789.db2.gz UIJFWIYUTDZODQ-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN F[C@H]1COCC[C@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929786 975159283 /nfs/dbraw/zinc/15/92/83/975159283.db2.gz KKPUUQBOLMNOST-JOYOIKCWSA-N 0 1 236.246 2.069 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCc3cnn(C)c3C2)C1 ZINC001173296512 975182203 /nfs/dbraw/zinc/18/22/03/975182203.db2.gz UTJFMRIMEAXFBF-WCQYABFASA-N 0 1 233.359 2.357 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2cn(C3CC3)nn2)C1 ZINC001332526473 975197425 /nfs/dbraw/zinc/19/74/25/975197425.db2.gz UJVJZQMEEKZBRR-LBPRGKRZSA-N 0 1 248.374 2.481 20 0 BEADMN CCSC[C@H](C)N(C)Cc1cncnc1 ZINC001173307476 975214627 /nfs/dbraw/zinc/21/46/27/975214627.db2.gz GSFIPOVEFBGLEP-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN CCCC[C@H](C)Oc1cc(=O)[nH]c(OC)n1 ZINC001227001130 975214981 /nfs/dbraw/zinc/21/49/81/975214981.db2.gz YCRGDWWIKLJBJV-QMMMGPOBSA-N 0 1 226.276 2.148 20 0 BEADMN COc1nc(O[C@@H]2CCC[C@@H](C)C2)cc(=O)[nH]1 ZINC001227000890 975217930 /nfs/dbraw/zinc/21/79/30/975217930.db2.gz UHMRNRULVGEEST-RKDXNWHRSA-N 0 1 238.287 2.148 20 0 BEADMN COc1nc(O[C@@H](C)c2ccccc2)cc(=O)[nH]1 ZINC001227004969 975219618 /nfs/dbraw/zinc/21/96/18/975219618.db2.gz UPNCJXMUXBVEDU-VIFPVBQESA-N 0 1 246.266 2.331 20 0 BEADMN CC[C@@H]1CC[C@H](N(C)[C@@H](C)C(=O)OC)C1 ZINC001173289831 975258876 /nfs/dbraw/zinc/25/88/76/975258876.db2.gz UYNKLSMFCYVIEV-AXFHLTTASA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@H](C)Oc1nc(=O)[nH]c(C)c1Cl ZINC001227110843 975280372 /nfs/dbraw/zinc/28/03/72/975280372.db2.gz FHWJMWZVFHEZAT-YFKPBYRVSA-N 0 1 216.668 2.321 20 0 BEADMN CN1CCC[C@@H](Oc2ncccc2Cl)C1 ZINC001227112701 975281949 /nfs/dbraw/zinc/28/19/49/975281949.db2.gz AKEZXTAFZHJPDF-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN Cc1[nH]c(=O)nc(O[C@@H](C)C2CC2)c1Cl ZINC001227117451 975283590 /nfs/dbraw/zinc/28/35/90/975283590.db2.gz WILDEZOKYDZCCD-LURJTMIESA-N 0 1 228.679 2.321 20 0 BEADMN NCc1nnnn1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173350706 975295885 /nfs/dbraw/zinc/29/58/85/975295885.db2.gz XNVOAIICCSAHTH-LLVKDONJSA-N 0 1 249.362 2.197 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nncs1 ZINC001332897158 975313056 /nfs/dbraw/zinc/31/30/56/975313056.db2.gz JMXPJDOGSAKQAY-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN Cc1cc(C)nc(O[C@@H]2CCC[N@H+](C)C2)c1 ZINC001227248443 975329596 /nfs/dbraw/zinc/32/95/96/975329596.db2.gz XFGQAMIDMWIDOR-GFCCVEGCSA-N 0 1 220.316 2.171 20 0 BEADMN CCC(CC)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227270583 975346954 /nfs/dbraw/zinc/34/69/54/975346954.db2.gz IGHUBIQYMJLFRH-UHFFFAOYSA-N 0 1 221.260 2.231 20 0 BEADMN C[C@@H]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227270388 975347081 /nfs/dbraw/zinc/34/70/81/975347081.db2.gz GUFNCINOTSRQRX-SFYZADRCSA-N 0 1 233.271 2.231 20 0 BEADMN O=c1nc2[nH]ccc2c(OC2CCCCC2)[nH]1 ZINC001227271348 975347700 /nfs/dbraw/zinc/34/77/00/975347700.db2.gz UBSISPBBLRLYKR-UHFFFAOYSA-N 0 1 233.271 2.375 20 0 BEADMN CN1CCC[C@@H](Oc2ccc(Cl)nc2F)C1 ZINC001227286030 975356572 /nfs/dbraw/zinc/35/65/72/975356572.db2.gz DCONRNRGAVXYPP-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN Fc1cc2c(cc1F)CC(N1CCC1)C2 ZINC001173480188 975385788 /nfs/dbraw/zinc/38/57/88/975385788.db2.gz RIOSASDLCIEZDK-UHFFFAOYSA-N 0 1 209.239 2.138 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H](Oc2cccccc2=O)C1 ZINC001227421717 975394954 /nfs/dbraw/zinc/39/49/54/975394954.db2.gz QVAPELWUAIAGEQ-CYBMUJFWSA-N 0 1 247.338 2.298 20 0 BEADMN Fc1ccccc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001203346872 975404576 /nfs/dbraw/zinc/40/45/76/975404576.db2.gz ZLCSDKARLVXOCV-RISCZKNCSA-N 0 1 235.302 2.437 20 0 BEADMN c1nc2ncnc(O[C@H]3CC4CCC3CC4)c2[nH]1 ZINC001227532588 975506411 /nfs/dbraw/zinc/50/64/11/975506411.db2.gz ZBUIGEMHMIUIMV-RTBKNWGFSA-N 0 1 244.298 2.310 20 0 BEADMN C[C@H](Oc1ncnc2nc[nH]c21)c1ccccc1 ZINC001227530336 975507554 /nfs/dbraw/zinc/50/75/54/975507554.db2.gz CBFOCPGYQOUKCP-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C[C@H]1CCCC[C@@H]1Oc1ncnc2nc[nH]c21 ZINC001227531351 975509568 /nfs/dbraw/zinc/50/95/68/975509568.db2.gz IBXWBFFOPDGHSP-IUCAKERBSA-N 0 1 232.287 2.310 20 0 BEADMN CCCC[C@H](C)Oc1ncnc2nc[nH]c21 ZINC001227531626 975511633 /nfs/dbraw/zinc/51/16/33/975511633.db2.gz LFBLNGBRRAFXGY-QMMMGPOBSA-N 0 1 220.276 2.310 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CC[C@@H](C)C1 ZINC001227598595 975566989 /nfs/dbraw/zinc/56/69/89/975566989.db2.gz KQHPPMPIQDHZSM-SVRRBLITSA-N 0 1 225.317 2.036 20 0 BEADMN CSc1ccc(-n2cncc2N)cc1 ZINC001173814650 975568998 /nfs/dbraw/zinc/56/89/98/975568998.db2.gz ZORWOPFGOBLHIC-UHFFFAOYSA-N 0 1 205.286 2.176 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CC2(C)CC2)n[nH]1 ZINC001333216813 975569018 /nfs/dbraw/zinc/56/90/18/975569018.db2.gz PZNAKWIMMCQUQL-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN Cc1nc(C)n(CC2(O)CCSCC2)c1C ZINC001333231462 975576992 /nfs/dbraw/zinc/57/69/92/975576992.db2.gz FUYNVTHYIHUTNW-UHFFFAOYSA-N 0 1 240.372 2.066 20 0 BEADMN COc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 ZINC001227693414 975624102 /nfs/dbraw/zinc/62/41/02/975624102.db2.gz BPIHSIUYOGKKCD-SNVBAGLBSA-N 0 1 241.718 2.432 20 0 BEADMN C[C@@H]1OCc2c1[nH]c(=O)nc2OC1CCCC1 ZINC001227712429 975631426 /nfs/dbraw/zinc/63/14/26/975631426.db2.gz LHWWLANXQYQDOL-ZETCQYMHSA-N 0 1 236.271 2.095 20 0 BEADMN CC(C)[C@@H](C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227714129 975635726 /nfs/dbraw/zinc/63/57/26/975635726.db2.gz RKTHCDKKSPGPKC-HTQZYQBOSA-N 0 1 238.287 2.197 20 0 BEADMN Cc1cn(C)nc1CN1CCCC2(CC2)C1 ZINC001333357350 975707905 /nfs/dbraw/zinc/70/79/05/975707905.db2.gz UTCFIZCGNWMZTC-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H](C)CC(F)F ZINC001344942926 1169993535 /nfs/dbraw/zinc/99/35/35/1169993535.db2.gz MYADVUXVZQBFCJ-LURJTMIESA-N 0 1 232.230 2.166 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H](C)CC(F)F ZINC001344942927 1169993555 /nfs/dbraw/zinc/99/35/55/1169993555.db2.gz MYADVUXVZQBFCJ-ZCFIWIBFSA-N 0 1 232.230 2.166 20 0 BEADMN Cc1nnc(SC2CCSCC2)[nH]1 ZINC001333480903 975808199 /nfs/dbraw/zinc/80/81/99/975808199.db2.gz FMMZEPJRDHICRW-UHFFFAOYSA-N 0 1 215.347 2.101 20 0 BEADMN CC(C)c1ocnc1CNC(C)(C)C(C)(C)O ZINC001333415178 975761907 /nfs/dbraw/zinc/76/19/07/975761907.db2.gz XDEORHPCWXWYOT-UHFFFAOYSA-N 0 1 240.347 2.437 20 0 BEADMN COc1nc(NC=Cc2ccccc2)cc(=O)[nH]1 ZINC001173870444 975821160 /nfs/dbraw/zinc/82/11/60/975821160.db2.gz NAPKOJWHAZHVSB-BQYQJAHWSA-N 0 1 243.266 2.274 20 0 BEADMN COc1cccc(Nc2cncn2C)c1 ZINC001173823931 975836849 /nfs/dbraw/zinc/83/68/49/975836849.db2.gz DOPHMSGQUMRSQX-UHFFFAOYSA-N 0 1 203.245 2.172 20 0 BEADMN c1cc([C@@H]2CCCN2Cc2nnc[nH]2)cs1 ZINC001333570840 975856270 /nfs/dbraw/zinc/85/62/70/975856270.db2.gz BUDMXHDEYHDNPA-JTQLQIEISA-N 0 1 234.328 2.203 20 0 BEADMN COc1ccccc1Nc1ccnc(CO)c1 ZINC001173838329 975866192 /nfs/dbraw/zinc/86/61/92/975866192.db2.gz GWLTYOORMKYURV-UHFFFAOYSA-N 0 1 230.267 2.326 20 0 BEADMN CC(=O)c1cc(O)cc(OC2CCN(C)CC2)c1 ZINC001228046595 975873979 /nfs/dbraw/zinc/87/39/79/975873979.db2.gz WPEGISOPNZZGFF-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1cc(O)cc(O[C@@H]2CCCN(C)C2)c1 ZINC001228047516 975874545 /nfs/dbraw/zinc/87/45/45/975874545.db2.gz HWBIVGXKDSVGJD-CYBMUJFWSA-N 0 1 249.310 2.068 20 0 BEADMN Cc1ncn(-c2ccc(F)cc2F)c1N ZINC001173926662 975910423 /nfs/dbraw/zinc/91/04/23/975910423.db2.gz PVHQNGCAQHSCLP-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN c1cc(Nc2nc3c(s2)CCC3)ccn1 ZINC001173879007 975911494 /nfs/dbraw/zinc/91/14/94/975911494.db2.gz ADNOPXRXSZWUSM-UHFFFAOYSA-N 0 1 217.297 2.192 20 0 BEADMN CCCc1cc(Nc2ccncc2)on1 ZINC001173879690 975915523 /nfs/dbraw/zinc/91/55/23/975915523.db2.gz YNIYBUWXSJXOLQ-UHFFFAOYSA-N 0 1 203.245 2.188 20 0 BEADMN COc1cc(Nc2ccncc2)cc(Cl)n1 ZINC001173881377 975919207 /nfs/dbraw/zinc/91/92/07/975919207.db2.gz PELMAQYCECROGZ-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN FC(F)(F)Cn1cnc(Nc2ccncc2)c1 ZINC001173881739 975921171 /nfs/dbraw/zinc/92/11/71/975921171.db2.gz ABKVXSADAIYDMR-UHFFFAOYSA-N 0 1 242.204 2.006 20 0 BEADMN Cc1cnc(Nc2ccncc2)c(F)c1 ZINC001173881419 975923887 /nfs/dbraw/zinc/92/38/87/975923887.db2.gz RURRSZMYLWONRP-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN c1coc(-c2cc(Nc3ccncc3)on2)c1 ZINC001173881392 975924540 /nfs/dbraw/zinc/92/45/40/975924540.db2.gz PXCLWEFILJCCQP-UHFFFAOYSA-N 0 1 227.223 2.495 20 0 BEADMN CC(C)(C)c1nccc(Nc2ccncc2)n1 ZINC001173881837 975926672 /nfs/dbraw/zinc/92/66/72/975926672.db2.gz CMVYNXVBZUUHBO-UHFFFAOYSA-N 0 1 228.299 2.335 20 0 BEADMN COc1cccc(OC)c1Nc1ccncc1 ZINC001173882387 975928190 /nfs/dbraw/zinc/92/81/90/975928190.db2.gz HCZHMONUIOVUKA-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN Cc1cnn(CC2CC2)c1Nc1ccncc1 ZINC001173882566 975930728 /nfs/dbraw/zinc/93/07/28/975930728.db2.gz PZNJFCUNPPDJDB-UHFFFAOYSA-N 0 1 228.299 2.162 20 0 BEADMN CC[C@H](c1ccccc1)[S@](=O)Cc1nc[nH]n1 ZINC001333653896 975933296 /nfs/dbraw/zinc/93/32/96/975933296.db2.gz FAQUVPHCSWXGKL-PIGZYNQJSA-N 0 1 249.339 2.205 20 0 BEADMN COc1cc(Nc2ccncc2)ccc1F ZINC001173882233 975934117 /nfs/dbraw/zinc/93/41/17/975934117.db2.gz CPDGMPIDJSUERD-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN Cc1nn(-c2ccncc2)c2cc(N)cc(F)c12 ZINC001173883122 975943415 /nfs/dbraw/zinc/94/34/15/975943415.db2.gz IBBZXPVIEWVVLJ-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN C[C@H](O)c1cccc(Nc2ccncc2)c1 ZINC001173882751 975944757 /nfs/dbraw/zinc/94/47/57/975944757.db2.gz RHZPBPAUUFTEGU-JTQLQIEISA-N 0 1 214.268 2.300 20 0 BEADMN COCCOc1cccc(Nc2ccncc2)c1 ZINC001173883086 975944892 /nfs/dbraw/zinc/94/48/92/975944892.db2.gz GHZOCDWIIMJICH-UHFFFAOYSA-N 0 1 244.294 2.272 20 0 BEADMN c1cc(Nc2ccc(N3CCCC3)nc2)ccn1 ZINC001173882992 975950001 /nfs/dbraw/zinc/95/00/01/975950001.db2.gz ZZXXIGYYWRFBHT-UHFFFAOYSA-N 0 1 240.310 2.242 20 0 BEADMN c1cc(Nc2ccncc2)c2c(c1)OCCO2 ZINC001173883757 975951591 /nfs/dbraw/zinc/95/15/91/975951591.db2.gz QXDPEBSRGOXBEL-UHFFFAOYSA-N 0 1 228.251 2.018 20 0 BEADMN CP(C)(=O)c1ccccc1Nc1ccncc1 ZINC001173883638 975958287 /nfs/dbraw/zinc/95/82/87/975958287.db2.gz VUVNKTMYAWCFDH-UHFFFAOYSA-N 0 1 246.250 2.495 20 0 BEADMN Cc1ccc(CO)c(Nc2ccncc2)c1 ZINC001173884502 975969999 /nfs/dbraw/zinc/96/99/99/975969999.db2.gz RBNAOZDXAZYEQA-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN OCc1cc(Cl)cc(Nc2ccncc2)c1 ZINC001173884827 975972838 /nfs/dbraw/zinc/97/28/38/975972838.db2.gz UAQQXPDZFANARO-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN COCn1ncc(C)c1C[N@@H+](C)C(C)(C)C ZINC001333779855 976075673 /nfs/dbraw/zinc/07/56/73/976075673.db2.gz KSPHSHCNZZGDDS-UHFFFAOYSA-N 0 1 225.336 2.026 20 0 BEADMN COC(=O)C[C@@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228326110 976118641 /nfs/dbraw/zinc/11/86/41/976118641.db2.gz FNAAMKHHINNHEU-MRVPVSSYSA-N 0 1 248.282 2.202 20 0 BEADMN Cc1nc2ccc(OCC(=O)OC(C)C)cc2[nH]1 ZINC001228327814 976119098 /nfs/dbraw/zinc/11/90/98/976119098.db2.gz VXEKMBFTMMQQID-UHFFFAOYSA-N 0 1 248.282 2.202 20 0 BEADMN CC(=O)[C@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228326105 976121345 /nfs/dbraw/zinc/12/13/45/976121345.db2.gz FLGYFFBBVMGBFD-QMMMGPOBSA-N 0 1 218.256 2.228 20 0 BEADMN CC(=O)Nc1ccccc1Nc1c(C)ncn1C ZINC001173993699 976132828 /nfs/dbraw/zinc/13/28/28/976132828.db2.gz ZZKUCJIDHPTGQT-UHFFFAOYSA-N 0 1 244.298 2.431 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CCC2(C)C)n1 ZINC001333888553 976145455 /nfs/dbraw/zinc/14/54/55/976145455.db2.gz RVAUPOZKNCHDJS-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC001333888553 976145464 /nfs/dbraw/zinc/14/54/64/976145464.db2.gz RVAUPOZKNCHDJS-QMMMGPOBSA-N 0 1 236.319 2.303 20 0 BEADMN O=c1cc(O)nc(O[C@@H]2CCC=CCCC2)[nH]1 ZINC001228387452 976177724 /nfs/dbraw/zinc/17/77/24/976177724.db2.gz APHXFUXLIJJFKF-SECBINFHSA-N 0 1 236.271 2.156 20 0 BEADMN CC(C)CC[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388145 976178037 /nfs/dbraw/zinc/17/80/37/976178037.db2.gz GPPDAHJCUXUHDS-MRVPVSSYSA-N 0 1 226.276 2.091 20 0 BEADMN Cc1ccc([C@@H](C)Oc2nc(O)cc(=O)[nH]2)cc1 ZINC001228389404 976182955 /nfs/dbraw/zinc/18/29/55/976182955.db2.gz WSGZHSYZKMFVTA-SECBINFHSA-N 0 1 246.266 2.336 20 0 BEADMN CCCC[C@@H]([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC001334015764 976217799 /nfs/dbraw/zinc/21/77/99/976217799.db2.gz IGNSXYNKKBTZOC-SECBINFHSA-N 0 1 242.344 2.185 20 0 BEADMN COc1cccc2c1CCN(CCOC1CC1)C2 ZINC001334034937 976234034 /nfs/dbraw/zinc/23/40/34/976234034.db2.gz QBQFUOJDJJWKSC-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@H](NC1(C2CC2)CC1)c1ncccn1 ZINC001334049734 976252135 /nfs/dbraw/zinc/25/21/35/976252135.db2.gz SMQHTBJJWFAHLJ-VIFPVBQESA-N 0 1 203.289 2.070 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])C1CC1 ZINC000689942823 976269211 /nfs/dbraw/zinc/26/92/11/976269211.db2.gz ABIQZUVKETXFEE-VIFPVBQESA-N 0 1 239.340 2.228 20 0 BEADMN CN1CC[C@H](Oc2cc(Cl)ncc2Cl)C1 ZINC001228545940 976307952 /nfs/dbraw/zinc/30/79/52/976307952.db2.gz NQDJGNJMZDASPA-ZETCQYMHSA-N 0 1 247.125 2.471 20 0 BEADMN CC(C)Oc1ccc(-n2cncc2N)cc1 ZINC001174108074 976310554 /nfs/dbraw/zinc/31/05/54/976310554.db2.gz YEKYOKWASYHIFU-UHFFFAOYSA-N 0 1 217.272 2.242 20 0 BEADMN CC(C)Oc1cccc(Nc2nonc2N)c1 ZINC001174112858 976320047 /nfs/dbraw/zinc/32/00/47/976320047.db2.gz RBDLOINVTDJEGB-UHFFFAOYSA-N 0 1 234.259 2.183 20 0 BEADMN Cc1ccncc1-n1c(N)nc2ccccc21 ZINC001174115974 976333488 /nfs/dbraw/zinc/33/34/88/976333488.db2.gz RDHSAZSMMINZNX-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ccncc1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001174118316 976342937 /nfs/dbraw/zinc/34/29/37/976342937.db2.gz XQTKIYACVDLBET-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cn1ncc(CN2CCC[C@H]2CC2CCCC2)n1 ZINC000847091661 1170000786 /nfs/dbraw/zinc/00/07/86/1170000786.db2.gz ILZUVJNBLOHKLO-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN COc1ccc(Nc2cncn2C)c(F)c1 ZINC001174143177 976372878 /nfs/dbraw/zinc/37/28/78/976372878.db2.gz BMTPRTUMEZIYDT-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN CCCOC[C@@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228663321 976423108 /nfs/dbraw/zinc/42/31/08/976423108.db2.gz AGOPZPCXPQQYOX-SECBINFHSA-N 0 1 235.287 2.152 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)C1CCOCC1 ZINC001228664170 976423218 /nfs/dbraw/zinc/42/32/18/976423218.db2.gz MGDSCHHTAYLZCM-VIFPVBQESA-N 0 1 247.298 2.152 20 0 BEADMN Cc1ccc(-n2[nH]c(=O)c3cc(N)ccc32)cn1 ZINC001174284005 976446856 /nfs/dbraw/zinc/44/68/56/976446856.db2.gz FGRBMLXMSHABKF-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cc1noc2ncc(C[N@H+](C)C3CC3)cc12 ZINC001334342592 976460479 /nfs/dbraw/zinc/46/04/79/976460479.db2.gz NPPYGZPFMJODDO-UHFFFAOYSA-N 0 1 217.272 2.125 20 0 BEADMN Nc1ccn(-c2ccc3n[nH]cc3c2)c2nccc1-2 ZINC001174273081 976496797 /nfs/dbraw/zinc/49/67/97/976496797.db2.gz RYNLTJWJBRPXDJ-UHFFFAOYSA-N 0 1 249.277 2.436 20 0 BEADMN CSc1cc(N)n(-c2ccc3n[nH]cc3c2)n1 ZINC001174274596 976499395 /nfs/dbraw/zinc/49/93/95/976499395.db2.gz JDESLQOUQZVWOF-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN Nc1ccc2cn(-c3ccc4n[nH]cc4c3)nc2c1 ZINC001174275419 976499806 /nfs/dbraw/zinc/49/98/06/976499806.db2.gz YWTGGUFRESSYDO-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cn1cncc1Nc1ccc2cnn(C)c2c1 ZINC001174338253 976561926 /nfs/dbraw/zinc/56/19/26/976561926.db2.gz HJHJJBNYMSCMHP-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN c1nocc1Nc1cccc2[nH]ncc21 ZINC001174342233 976563125 /nfs/dbraw/zinc/56/31/25/976563125.db2.gz HBTFKQAQBPGTHB-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN Cc1ncc(Nc2cccc3[nH]ncc32)cn1 ZINC001174343568 976570162 /nfs/dbraw/zinc/57/01/62/976570162.db2.gz WKZVYDMCBZKJFR-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCc1onc(C)c1CN1CC=CCC1 ZINC001334661076 976579609 /nfs/dbraw/zinc/57/96/09/976579609.db2.gz KMZVFEOAUMOQOD-UHFFFAOYSA-N 0 1 206.289 2.307 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CC[C@@H](C)CC2)n1 ZINC001228917586 976580173 /nfs/dbraw/zinc/58/01/73/976580173.db2.gz GVCZVGQVPLSBCK-DTORHVGOSA-N 0 1 238.287 2.148 20 0 BEADMN Nc1nc2ccccc2n1-c1cnc2[nH]ccc2c1 ZINC001174394972 976585622 /nfs/dbraw/zinc/58/56/22/976585622.db2.gz YDGOKELPJSWHAO-UHFFFAOYSA-N 0 1 249.277 2.436 20 0 BEADMN CCCCCCN(C)CC(=O)N(OC)C(C)C ZINC001330706254 976592851 /nfs/dbraw/zinc/59/28/51/976592851.db2.gz UCAYSTLZAHBAPW-UHFFFAOYSA-N 0 1 244.379 2.297 20 0 BEADMN Cc1ncn(-c2ccc3ncsc3c2)c1N ZINC001174364681 976606310 /nfs/dbraw/zinc/60/63/10/976606310.db2.gz BVYLQWPWMFJWGH-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN Cc1ncn(-c2ccnc(C(F)(F)F)c2)c1N ZINC001174362165 976606595 /nfs/dbraw/zinc/60/65/95/976606595.db2.gz CANOWONTAVMPGR-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN Cc1ccnc(Cl)c1O[C@@H]1CCN(C)C1 ZINC001228986561 976611140 /nfs/dbraw/zinc/61/11/40/976611140.db2.gz GGSLSDHDQGUFFW-SECBINFHSA-N 0 1 226.707 2.126 20 0 BEADMN CC(C)(NC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC001334744458 976615749 /nfs/dbraw/zinc/61/57/49/976615749.db2.gz GAWZNXQHMNEFMZ-UHFFFAOYSA-N 0 1 249.358 2.427 20 0 BEADMN COC1=CC[C@H](Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228995560 976624213 /nfs/dbraw/zinc/62/42/13/976624213.db2.gz UKEFRXGMMUJSTG-JTQLQIEISA-N 0 1 245.282 2.420 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccncc1 ZINC001228997382 976632054 /nfs/dbraw/zinc/63/20/54/976632054.db2.gz ZQPVKMDEUVVAQV-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CCN1CCC[C@@H](Oc2ccc(C(C)=O)nc2)C1 ZINC001229013459 976644447 /nfs/dbraw/zinc/64/44/47/976644447.db2.gz VJZBGPMGYSNWDK-CYBMUJFWSA-N 0 1 248.326 2.147 20 0 BEADMN CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000259681981 976665987 /nfs/dbraw/zinc/66/59/87/976665987.db2.gz JTQKPNICMAAJCN-DGCLKSJQSA-N 0 1 248.326 2.028 20 0 BEADMN Cc1cc(-n2cnc(C)c2N)c(C)s1 ZINC001174419356 976668138 /nfs/dbraw/zinc/66/81/38/976668138.db2.gz JANFYSXZKVAZHQ-UHFFFAOYSA-N 0 1 207.302 2.441 20 0 BEADMN CCOC(=O)[C@H]1CC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000259681987 976668476 /nfs/dbraw/zinc/66/84/76/976668476.db2.gz JTQKPNICMAAJCN-YPMHNXCESA-N 0 1 248.326 2.028 20 0 BEADMN Cc1ccc(C[N@H+](C)C(C)(C)CC(=O)[O-])nc1 ZINC001334793500 976673874 /nfs/dbraw/zinc/67/38/74/976673874.db2.gz KWHBLWXQSUMXPT-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN COc1ccc(F)c(F)c1Nc1cncn1C ZINC001174423120 976683708 /nfs/dbraw/zinc/68/37/08/976683708.db2.gz WMZQYHCLJPFGHO-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1c(Nc2ccc3cn[nH]c3c2)ncn1C ZINC001174498170 976718217 /nfs/dbraw/zinc/71/82/17/976718217.db2.gz GUGVVKLYPIZCLP-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1c(Nc2ccc3c[nH]nc3c2)cnn1C ZINC001174498596 976718496 /nfs/dbraw/zinc/71/84/96/976718496.db2.gz GGUUWGINVLRRAU-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1cnn(C)c1Nc1ccc2c[nH]nc2c1 ZINC001174498541 976722362 /nfs/dbraw/zinc/72/23/62/976722362.db2.gz ODKOAZTULHWUET-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1cc(Nc2ccc3cn[nH]c3c2)nn1C ZINC001174498793 976730239 /nfs/dbraw/zinc/73/02/39/976730239.db2.gz IKIHBACIWRVCNN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCOc1ncccc1Nc1nonc1C1CC1 ZINC001174456967 976736609 /nfs/dbraw/zinc/73/66/09/976736609.db2.gz JGNWFWFZIWWRRT-UHFFFAOYSA-N 0 1 246.270 2.484 20 0 BEADMN COc1nonc1Nc1ccsc1C ZINC001174459111 976742090 /nfs/dbraw/zinc/74/20/90/976742090.db2.gz XXXRQOGKLIEGDN-UHFFFAOYSA-N 0 1 211.246 2.192 20 0 BEADMN O=c1[nH]c(=O)c(F)c(OC2CCCCCC2)[nH]1 ZINC001229123633 976759532 /nfs/dbraw/zinc/75/95/32/976759532.db2.gz GPMBTWQCXGEPAC-UHFFFAOYSA-N 0 1 242.250 2.129 20 0 BEADMN Cc1csc(Nc2ccncc2C)n1 ZINC001174536034 976813459 /nfs/dbraw/zinc/81/34/59/976813459.db2.gz IDJVOVIHDLOHKI-UHFFFAOYSA-N 0 1 205.286 2.320 20 0 BEADMN CCc1cc(Nc2ccncc2C)on1 ZINC001174535998 976814161 /nfs/dbraw/zinc/81/41/61/976814161.db2.gz FNXNAKBXQCCRDC-UHFFFAOYSA-N 0 1 203.245 2.106 20 0 BEADMN CCCc1cc(Nc2ccncc2C)on1 ZINC001174536546 976815050 /nfs/dbraw/zinc/81/50/50/976815050.db2.gz XLGPKRLYJRPLQG-UHFFFAOYSA-N 0 1 217.272 2.496 20 0 BEADMN Cc1cnccc1Nc1ncc(F)s1 ZINC001174536244 976816230 /nfs/dbraw/zinc/81/62/30/976816230.db2.gz PFWFDPGNBPSDLM-UHFFFAOYSA-N 0 1 209.249 2.151 20 0 BEADMN CN(C(=O)C(C)(C)c1cnc[nH]1)c1ccsc1 ZINC001335043697 976832481 /nfs/dbraw/zinc/83/24/81/976832481.db2.gz URDLFLSMUIGGMW-UHFFFAOYSA-N 0 1 249.339 2.412 20 0 BEADMN COc1cc(Nc2cncn2C)cc(F)c1F ZINC001174581058 976843680 /nfs/dbraw/zinc/84/36/80/976843680.db2.gz WTUVMVMQMJAUBC-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN CCn1cnc2c1ncnc2NC=C(C)C ZINC001174554131 976855837 /nfs/dbraw/zinc/85/58/37/976855837.db2.gz VMQYMJZSPRGOTG-UHFFFAOYSA-N 0 1 217.276 2.182 20 0 BEADMN C[C@@H]1CCN1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174556450 976864748 /nfs/dbraw/zinc/86/47/48/976864748.db2.gz MSCHTHSYIUICJW-SSDOTTSWSA-N 0 1 249.701 2.451 20 0 BEADMN CCC(=O)c1ccc(O)cc1O[C@@H]1CCN(C)C1 ZINC001229474404 976875530 /nfs/dbraw/zinc/87/55/30/976875530.db2.gz DVTYIBFEMBPNSL-LLVKDONJSA-N 0 1 249.310 2.068 20 0 BEADMN Cc1cc(NC2=CCC3(CC2)OCCO3)no1 ZINC001174635358 976909308 /nfs/dbraw/zinc/90/93/08/976909308.db2.gz IYOOGFDDVMYLHM-UHFFFAOYSA-N 0 1 236.271 2.206 20 0 BEADMN CC(C)c1cccc(O[C@@H]2CCN(C)C2)c(=O)c1 ZINC001229629537 976915814 /nfs/dbraw/zinc/91/58/14/976915814.db2.gz HFPCYNAGEOZNIZ-CYBMUJFWSA-N 0 1 247.338 2.253 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(O)c(F)c1 ZINC001174732730 976974963 /nfs/dbraw/zinc/97/49/63/976974963.db2.gz NJPLKJMRHFRQQF-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN OCc1cc(Nc2ccc(O)c(F)c2)ccn1 ZINC001174731980 976975395 /nfs/dbraw/zinc/97/53/95/976975395.db2.gz KNOPZGGGMPETAW-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN CCN1CCC[C@@H](Oc2ncc(F)cc2F)C1 ZINC001229860336 977003235 /nfs/dbraw/zinc/00/32/35/977003235.db2.gz XBMMYYRARZDLJL-SNVBAGLBSA-N 0 1 242.269 2.223 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC001230011871 977060202 /nfs/dbraw/zinc/06/02/02/977060202.db2.gz ALGWNZRGCWMWFN-KVSKUHBBSA-N 0 1 226.663 2.013 20 0 BEADMN Cc1cncc(-n2[nH]c(=O)c3cc(N)ccc32)c1 ZINC001174757461 977064457 /nfs/dbraw/zinc/06/44/57/977064457.db2.gz SNJDAZBNTWQGCD-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN OCc1cc(Nc2cccc(O)c2)ccn1 ZINC001174888096 977117474 /nfs/dbraw/zinc/11/74/74/977117474.db2.gz KBLXDVTUVOTKRY-UHFFFAOYSA-N 0 1 216.240 2.023 20 0 BEADMN O=c1cc(Nc2cccc(O)c2)nc(Cl)[nH]1 ZINC001174887898 977118563 /nfs/dbraw/zinc/11/85/63/977118563.db2.gz IFUDUVQXSYVMJP-UHFFFAOYSA-N 0 1 237.646 2.285 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@H]1CCCO1 ZINC001230223163 977132729 /nfs/dbraw/zinc/13/27/29/977132729.db2.gz NINXUAGZPDNRGH-LLVKDONJSA-N 0 1 232.283 2.429 20 0 BEADMN CCOC(=O)[C@H](C)Oc1cc2cn[nH]c2cc1C ZINC001230223095 977135207 /nfs/dbraw/zinc/13/52/07/977135207.db2.gz MJIGWTCLMAQMMM-VIFPVBQESA-N 0 1 248.282 2.202 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c(CC2CC2)cc1=O ZINC001335582019 977159552 /nfs/dbraw/zinc/15/95/52/977159552.db2.gz UFHLNHDUDXWYDP-QMMMGPOBSA-N 0 1 206.289 2.173 20 0 BEADMN COc1cc(F)cc(Nc2ccnc(CO)c2)c1 ZINC001175008156 977206919 /nfs/dbraw/zinc/20/69/19/977206919.db2.gz VRVMUYDDZHWKRI-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC000260138120 977252353 /nfs/dbraw/zinc/25/23/53/977252353.db2.gz QHJSQSFAAMNKPI-GXFFZTMASA-N 0 1 231.295 2.369 20 0 BEADMN COc1cc(Nc2cncn2C)cc(OC)c1 ZINC001175105864 977252448 /nfs/dbraw/zinc/25/24/48/977252448.db2.gz IVKQTXIIYMERNE-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN Cc1ccc2nc(N)n(-c3ccncc3F)c2c1 ZINC001175197338 977295017 /nfs/dbraw/zinc/29/50/17/977295017.db2.gz UGZRCEBRNCFUJL-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN CCOc1ccc(OC)cc1-n1cnc(C)c1N ZINC001175212146 977329840 /nfs/dbraw/zinc/32/98/40/977329840.db2.gz CSGWRIMFHLHKOH-UHFFFAOYSA-N 0 1 247.298 2.170 20 0 BEADMN C[C@@H](NC[C@H](O)CC1CCCC1)c1cnccn1 ZINC001335883454 977347221 /nfs/dbraw/zinc/34/72/21/977347221.db2.gz YPHUYKHVDOOGLB-DGCLKSJQSA-N 0 1 249.358 2.068 20 0 BEADMN CCOc1cc(F)ccc1-n1cnc(C)c1N ZINC001175286309 977349721 /nfs/dbraw/zinc/34/97/21/977349721.db2.gz KFVJJDQLOAZVJH-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN COc1ccc2nc(=O)[nH]c(OC3CCC3)c2c1 ZINC001230853053 977350490 /nfs/dbraw/zinc/35/04/90/977350490.db2.gz GFMJFFODECOMQI-UHFFFAOYSA-N 0 1 246.266 2.275 20 0 BEADMN CC(=O)c1ccc(F)c(-n2cnc(C)c2N)c1 ZINC001175271346 977362672 /nfs/dbraw/zinc/36/26/72/977362672.db2.gz FPSGJLJHMPMFPD-UHFFFAOYSA-N 0 1 233.246 2.105 20 0 BEADMN Cc1ncn(C)c1Nc1ccccc1[S@](C)=O ZINC001175309253 977370860 /nfs/dbraw/zinc/37/08/60/977370860.db2.gz UBRGXBMNJFPJNJ-KRWDZBQOSA-N 0 1 249.339 2.210 20 0 BEADMN F[C@H]1CCCC[C@H]1Oc1nncc2n[nH]cc21 ZINC001230901295 977372311 /nfs/dbraw/zinc/37/23/11/977372311.db2.gz PHHDIXHJIZRNEP-WCBMZHEXSA-N 0 1 236.250 2.012 20 0 BEADMN Fc1cc(OC2CC3(COC3)C2)cc2[nH]ncc21 ZINC001230930923 977387787 /nfs/dbraw/zinc/38/77/87/977387787.db2.gz KIDHNTWPWZHDOY-UHFFFAOYSA-N 0 1 248.257 2.260 20 0 BEADMN Cc1ncn(C)c1Nc1cnc2cccnc2c1 ZINC001175359528 977398876 /nfs/dbraw/zinc/39/88/76/977398876.db2.gz RFBOIOFSFLCJGS-UHFFFAOYSA-N 0 1 239.282 2.415 20 0 BEADMN Cc1ncn(-c2ccc3ncccc3c2)c1N ZINC001175375816 977400282 /nfs/dbraw/zinc/40/02/82/977400282.db2.gz YYXXDCIVUGUNBX-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Clc1nc2[nH]ncc2c(OC2CC=CC2)n1 ZINC001231047149 977444120 /nfs/dbraw/zinc/44/41/20/977444120.db2.gz LDIDPUCGCZFSTR-UHFFFAOYSA-N 0 1 236.662 2.104 20 0 BEADMN CCC(=O)[C@H](CC)Oc1nc2[nH]ccc(C)c-2n1 ZINC001231063840 977458272 /nfs/dbraw/zinc/45/82/72/977458272.db2.gz SAYMSMSDRZICSP-JTQLQIEISA-N 0 1 247.298 2.403 20 0 BEADMN CC(C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231075808 977463079 /nfs/dbraw/zinc/46/30/79/977463079.db2.gz HSGUYOVUCNQAAX-UHFFFAOYSA-N 0 1 222.219 2.262 20 0 BEADMN Cc1ccc2n[nH]cc2c1Nc1ccncc1 ZINC001175524318 977507526 /nfs/dbraw/zinc/50/75/26/977507526.db2.gz BDRWHCIBOCCOFO-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN Cc1ccc2n[nH]cc2c1Nc1cncn1C ZINC001175524816 977508796 /nfs/dbraw/zinc/50/87/96/977508796.db2.gz XVVOXQMWBFKWJK-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1cncn1C ZINC001175524816 977508804 /nfs/dbraw/zinc/50/88/04/977508804.db2.gz XVVOXQMWBFKWJK-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CN1CCC=C(Nc2cccc3cnoc32)C1 ZINC001175582629 977514846 /nfs/dbraw/zinc/51/48/46/977514846.db2.gz IQHCHPMDUWEBFZ-UHFFFAOYSA-N 0 1 229.283 2.459 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)C12CC(C1)C2 ZINC001336204717 977567970 /nfs/dbraw/zinc/56/79/70/977567970.db2.gz XRYJSWRYEPVVJD-UHFFFAOYSA-N 0 1 242.282 2.005 20 0 BEADMN Cc1cc(NC2=CCCN(C)C2)n(C(C)C)n1 ZINC001175574022 977569235 /nfs/dbraw/zinc/56/92/35/977569235.db2.gz KRJOYNMBROEAQO-UHFFFAOYSA-N 0 1 234.347 2.404 20 0 BEADMN Cc1ccc(NC2=CCCN(C)C2)c(C)n1 ZINC001175574292 977573017 /nfs/dbraw/zinc/57/30/17/977573017.db2.gz SPIMSTICEHYANB-UHFFFAOYSA-N 0 1 217.316 2.330 20 0 BEADMN CN1CCC=C(Nc2ccc3c(c2)OCO3)C1 ZINC001175576305 977576605 /nfs/dbraw/zinc/57/66/05/977576605.db2.gz HYMZPEPHSJSAPO-UHFFFAOYSA-N 0 1 232.283 2.047 20 0 BEADMN COc1ccc(NC2=CCCN(C)C2)cc1F ZINC001175575845 977582782 /nfs/dbraw/zinc/58/27/82/977582782.db2.gz CBWHYPYLMJNLIN-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)s1 ZINC001231466344 977596910 /nfs/dbraw/zinc/59/69/10/977596910.db2.gz XHRVRBSLNKGYFN-SCZZXKLOSA-N 0 1 237.324 2.431 20 0 BEADMN Cc1cc(F)ncc1CN[C@@H](C)c1cn[nH]c1 ZINC001336253465 977599869 /nfs/dbraw/zinc/59/98/69/977599869.db2.gz NQHIQKOPJHARMY-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN Cc1cc(F)ncc1CN[C@H](C)c1cn[nH]c1 ZINC001336253464 977601533 /nfs/dbraw/zinc/60/15/33/977601533.db2.gz NQHIQKOPJHARMY-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN CCOc1ccc(N)cc1NC1=CCCN(C)C1 ZINC001175581045 977602295 /nfs/dbraw/zinc/60/22/95/977602295.db2.gz WXFYOOPGIHIBGF-UHFFFAOYSA-N 0 1 247.342 2.299 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1c[nH]c2cccnc12 ZINC001231485786 977609746 /nfs/dbraw/zinc/60/97/46/977609746.db2.gz JSCISRAUKJCXDR-SECBINFHSA-N 0 1 201.273 2.157 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2cn(C)nc2c1 ZINC001175609728 977617861 /nfs/dbraw/zinc/61/78/61/977617861.db2.gz SQMANVJFFUNFOZ-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN Cn1cc2ccc(Nc3cncn3C)cc2n1 ZINC001175610367 977618329 /nfs/dbraw/zinc/61/83/29/977618329.db2.gz BPOAQYXFBQMVLP-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cnccc23)C[C@@H](C)O1 ZINC001231514220 977620971 /nfs/dbraw/zinc/62/09/71/977620971.db2.gz NJADAQDSTYLBNI-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ccnn3C)cc12 ZINC001175693030 977622956 /nfs/dbraw/zinc/62/29/56/977622956.db2.gz WBPYQCUHHMBHMY-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nonc1Nc1ccc2n[nH]c(C)c2c1 ZINC001175695026 977626360 /nfs/dbraw/zinc/62/63/60/977626360.db2.gz DMDCIQOJBRHJBM-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN CN(Cc1cc(Br)c[nH]1)C1CC1 ZINC001231572260 977636041 /nfs/dbraw/zinc/63/60/41/977636041.db2.gz STDQLMFLYDIFSZ-UHFFFAOYSA-N 0 1 229.121 2.371 20 0 BEADMN COc1cc(F)ccc1CN1CCCC1 ZINC001231602256 977645625 /nfs/dbraw/zinc/64/56/25/977645625.db2.gz MTBCAAAGRLCUJZ-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN COc1cc(F)c(-n2cnc(C)c2N)c(F)c1 ZINC001175721543 977663190 /nfs/dbraw/zinc/66/31/90/977663190.db2.gz NHWXKFZDUZEQQT-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CC1(C)CN(Cc2cc3cc[nH]c3cn2)C1 ZINC001231666231 977674965 /nfs/dbraw/zinc/67/49/65/977674965.db2.gz PSQKKIUATHYHET-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN COCC[N@H+](C)Cc1ccc(Cl)c([O-])c1 ZINC001231733045 977714285 /nfs/dbraw/zinc/71/42/85/977714285.db2.gz KOQIZICEQLNGEZ-UHFFFAOYSA-N 0 1 229.707 2.124 20 0 BEADMN COCC[N@@H+](C)Cc1ccc(Cl)c([O-])c1 ZINC001231733045 977714292 /nfs/dbraw/zinc/71/42/92/977714292.db2.gz KOQIZICEQLNGEZ-UHFFFAOYSA-N 0 1 229.707 2.124 20 0 BEADMN Cc1cc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)cc(C)n1 ZINC001574135634 1170024951 /nfs/dbraw/zinc/02/49/51/1170024951.db2.gz VOXQERKSHISJAE-NSHDSACASA-N 0 1 248.326 2.136 20 0 BEADMN CCOc1ncccc1CN1CCCCC1 ZINC001231760473 977737480 /nfs/dbraw/zinc/73/74/80/977737480.db2.gz KOCKTADWJKTVCL-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN COc1cc(Nc2nnco2)ccc1Cl ZINC001175771203 977744530 /nfs/dbraw/zinc/74/45/30/977744530.db2.gz ZASUTJUMHBZJRQ-UHFFFAOYSA-N 0 1 225.635 2.475 20 0 BEADMN COCCOc1ccc(Nc2cncn2C)cc1 ZINC001175785977 977748427 /nfs/dbraw/zinc/74/84/27/977748427.db2.gz KJTSXGPNPRDZAM-UHFFFAOYSA-N 0 1 247.298 2.189 20 0 BEADMN CN(Cc1ccnc(C(F)F)c1)[C@H]1CCOC1 ZINC001231889991 977786866 /nfs/dbraw/zinc/78/68/66/977786866.db2.gz RCFJGGMRPIPNIP-JTQLQIEISA-N 0 1 242.269 2.240 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]1F ZINC001231906093 977790127 /nfs/dbraw/zinc/79/01/27/977790127.db2.gz YCUPIKVSJBLZSN-SKDRFNHKSA-N 0 1 233.290 2.353 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cnc1F ZINC001231926086 977797173 /nfs/dbraw/zinc/79/71/73/977797173.db2.gz ISLMYDGPEWMWMI-SRVKXCTJSA-N 0 1 238.281 2.461 20 0 BEADMN COc1cnc(CN2C3CCCC2CCC3)cn1 ZINC001231940404 977810017 /nfs/dbraw/zinc/81/00/17/977810017.db2.gz HJUJDGYUIZUBCH-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN COc1ccnc(CN2CCC3(CC3)C2)c1 ZINC001231966210 977815322 /nfs/dbraw/zinc/81/53/22/977815322.db2.gz TVKGDDAIPLYXCE-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c[nH]nc32)[C@@H](C)CO1 ZINC001231975897 977821649 /nfs/dbraw/zinc/82/16/49/977821649.db2.gz XEWXZCBLBKRGRO-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231982110 977822122 /nfs/dbraw/zinc/82/21/22/977822122.db2.gz UUJLDUCLJRBVEH-DLOVCJGASA-N 0 1 238.281 2.319 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001231984318 977823034 /nfs/dbraw/zinc/82/30/34/977823034.db2.gz VTAUZEIZSZZPSY-CNDDSTCGSA-N 0 1 238.281 2.176 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc(C)n1 ZINC001232000085 977832057 /nfs/dbraw/zinc/83/20/57/977832057.db2.gz ANDXNEQXBBQBKD-OKILXGFUSA-N 0 1 244.338 2.109 20 0 BEADMN NCc1nccnc1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001336678371 977846790 /nfs/dbraw/zinc/84/67/90/977846790.db2.gz DWPOTDOGQYWLKT-NWDGAFQWSA-N 0 1 246.358 2.316 20 0 BEADMN COC[C@@H]1CCCN(Cc2nccn2C2CC2)C1 ZINC001336685665 977853074 /nfs/dbraw/zinc/85/30/74/977853074.db2.gz HWQUAUIBICZADE-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN c1cc(Nc2ccc3nn[nH]c3c2)co1 ZINC001176002003 977854641 /nfs/dbraw/zinc/85/46/41/977854641.db2.gz NFIZTYBTLPEVEE-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN c1cc(Nc2ccc3n[nH]nc3c2)co1 ZINC001176002003 977854649 /nfs/dbraw/zinc/85/46/49/977854649.db2.gz NFIZTYBTLPEVEE-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN S=c1[nH]cccc1Nc1ccc2nn[nH]c2c1 ZINC001175998180 977857509 /nfs/dbraw/zinc/85/75/09/977857509.db2.gz FFRROCKFEGPENM-UHFFFAOYSA-N 0 1 243.295 2.385 20 0 BEADMN S=c1[nH]cccc1Nc1ccc2n[nH]nc2c1 ZINC001175998180 977857511 /nfs/dbraw/zinc/85/75/11/977857511.db2.gz FFRROCKFEGPENM-UHFFFAOYSA-N 0 1 243.295 2.385 20 0 BEADMN c1ncc(Nc2ccc3nn[nH]c3c2)s1 ZINC001175999496 977857613 /nfs/dbraw/zinc/85/76/13/977857613.db2.gz XGMWUQRWCSCZKJ-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN c1ncc(Nc2ccc3n[nH]nc3c2)s1 ZINC001175999496 977857617 /nfs/dbraw/zinc/85/76/17/977857617.db2.gz XGMWUQRWCSCZKJ-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Fc1cc(Nc2ccc3nn[nH]c3c2)cnc1F ZINC001176002468 977859899 /nfs/dbraw/zinc/85/98/99/977859899.db2.gz WNSADDFUGWTEFU-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1cc(Nc2ccc3n[nH]nc3c2)cnc1F ZINC001176002468 977859901 /nfs/dbraw/zinc/85/99/01/977859901.db2.gz WNSADDFUGWTEFU-UHFFFAOYSA-N 0 1 247.208 2.375 20 0 BEADMN Fc1ccncc1Nc1ccc2nn[nH]c2c1 ZINC001176002303 977860183 /nfs/dbraw/zinc/86/01/83/977860183.db2.gz SPBLQYFOCZDUFP-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1ccncc1Nc1ccc2n[nH]nc2c1 ZINC001176002303 977860186 /nfs/dbraw/zinc/86/01/86/977860186.db2.gz SPBLQYFOCZDUFP-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CN(c1ccc2nn[nH]c2c1)c1cccc(N)c1 ZINC001176003098 977862361 /nfs/dbraw/zinc/86/23/61/977862361.db2.gz CCZXXRIJTLVQQL-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN CN(c1ccc2n[nH]nc2c1)c1cccc(N)c1 ZINC001176003098 977862367 /nfs/dbraw/zinc/86/23/67/977862367.db2.gz CCZXXRIJTLVQQL-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN Oc1cncc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC001232041547 977865226 /nfs/dbraw/zinc/86/52/26/977865226.db2.gz DVNMWWQGLNDFLQ-LLVKDONJSA-N 0 1 240.253 2.018 20 0 BEADMN Cc1cn2cccc(Nc3ncc[nH]3)c2n1 ZINC001176079324 977873567 /nfs/dbraw/zinc/87/35/67/977873567.db2.gz HEQJXJPSTRYRGV-UHFFFAOYSA-N 0 1 213.244 2.109 20 0 BEADMN COC(=O)c1ccc(CN2CCCCC23CC3)[nH]1 ZINC001232077350 977882110 /nfs/dbraw/zinc/88/21/10/977882110.db2.gz LEXMPYNZCRRXHU-UHFFFAOYSA-N 0 1 248.326 2.320 20 0 BEADMN O=c1ccc2cc(Nc3ncc[nH]3)c[nH]c-2c1 ZINC001176082656 977882383 /nfs/dbraw/zinc/88/23/83/977882383.db2.gz QGLPWRGYXVRAQM-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(C)n1 ZINC001232080884 977884585 /nfs/dbraw/zinc/88/45/85/977884585.db2.gz MFOPGULKSQJXIF-OKILXGFUSA-N 0 1 244.338 2.394 20 0 BEADMN COc1c(F)cc(F)cc1Nc1ncc[nH]1 ZINC001176084443 977884794 /nfs/dbraw/zinc/88/47/94/977884794.db2.gz QPQCYZLJQFERCG-UHFFFAOYSA-N 0 1 225.198 2.440 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001594932899 977887959 /nfs/dbraw/zinc/88/79/59/977887959.db2.gz OTHRXEINDILXGY-RTXFEEFZSA-N 0 1 249.285 2.088 20 0 BEADMN CO[C@H]1CCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232088172 977891023 /nfs/dbraw/zinc/89/10/23/977891023.db2.gz DEAKMDHSTYDGKO-ZDUSSCGKSA-N 0 1 245.326 2.174 20 0 BEADMN COC(=O)c1c(C)ccc(Nc2ncc[nH]2)c1F ZINC001176088644 977891891 /nfs/dbraw/zinc/89/18/91/977891891.db2.gz VFNJIXOZUAHZME-UHFFFAOYSA-N 0 1 249.245 2.387 20 0 BEADMN Cc1ccc(-n2cncc2N)c(F)c1F ZINC001176094237 977897202 /nfs/dbraw/zinc/89/72/02/977897202.db2.gz WIFSULFMUAWPON-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN Cc1cc(Nc2cc(C)oc(=O)c2)cc(C)n1 ZINC001176053904 977900505 /nfs/dbraw/zinc/90/05/05/977900505.db2.gz KGJQDUQNQQZTBN-UHFFFAOYSA-N 0 1 230.267 2.126 20 0 BEADMN CCCN(CCOC)Cc1cnsc1 ZINC001232223062 977945831 /nfs/dbraw/zinc/94/58/31/977945831.db2.gz CNRXYICFUIEACD-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN c1nn(C2CCC2)cc1C[N@@H+]1CC=CCC1 ZINC001336751943 977915023 /nfs/dbraw/zinc/91/50/23/977915023.db2.gz YPLZRERCNIAWSP-UHFFFAOYSA-N 0 1 217.316 2.370 20 0 BEADMN c1nn(C2CCC2)cc1CN1CC=CCC1 ZINC001336751943 977915031 /nfs/dbraw/zinc/91/50/31/977915031.db2.gz YPLZRERCNIAWSP-UHFFFAOYSA-N 0 1 217.316 2.370 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ccns1 ZINC001232192731 977918499 /nfs/dbraw/zinc/91/84/99/977918499.db2.gz YMWWAXLBVVFTEV-NRPADANISA-N 0 1 212.293 2.075 20 0 BEADMN c1cc(CN2CCC3(CCCO3)CC2)sn1 ZINC001232191717 977918528 /nfs/dbraw/zinc/91/85/28/977918528.db2.gz AKRHZLKVBDPBAZ-UHFFFAOYSA-N 0 1 238.356 2.288 20 0 BEADMN Clc1cc(NC2=CCOCC2)c(Cl)nn1 ZINC001176140291 977919547 /nfs/dbraw/zinc/91/95/47/977919547.db2.gz SEWMVADRFLHRIW-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN CO[C@@H]1CCN(Cc2ncsc2C)[C@@H](C)C1 ZINC001232206422 977931111 /nfs/dbraw/zinc/93/11/11/977931111.db2.gz GTWOJAPYEHKUPM-GXSJLCMTSA-N 0 1 240.372 2.451 20 0 BEADMN COCc1cccc(C[N@H+]2CCC[C@@H]2C)n1 ZINC001232251451 977979740 /nfs/dbraw/zinc/97/97/40/977979740.db2.gz UUJMPSTUGHBPEW-NSHDSACASA-N 0 1 220.316 2.212 20 0 BEADMN Cc1noc(C)c1Nc1cc(=O)[nH]c(Cl)n1 ZINC001176179308 977985421 /nfs/dbraw/zinc/98/54/21/977985421.db2.gz SAONMDGBEFRCTK-UHFFFAOYSA-N 0 1 240.650 2.184 20 0 BEADMN Clc1csc(CN2CC(C3COC3)C2)c1 ZINC001232277289 977990454 /nfs/dbraw/zinc/99/04/54/977990454.db2.gz UEOKQBUOEQIKDS-UHFFFAOYSA-N 0 1 243.759 2.480 20 0 BEADMN Cc1ncn(-c2cncc(C3CC3)c2)c1N ZINC001176283167 978011727 /nfs/dbraw/zinc/01/17/27/978011727.db2.gz NPFFMYNYHKOUDI-UHFFFAOYSA-N 0 1 214.272 2.035 20 0 BEADMN CC(C)(C(=O)NC[C@]1(C)CC1(C)C)c1cnc[nH]1 ZINC001336898537 978037125 /nfs/dbraw/zinc/03/71/25/978037125.db2.gz VSDOWGNXQPDHBS-AWEZNQCLSA-N 0 1 249.358 2.240 20 0 BEADMN CN(Cc1ccc(N)nc1)Cc1cccc(O)c1 ZINC001232364680 978039599 /nfs/dbraw/zinc/03/95/99/978039599.db2.gz WRWMWUJSEBWAIE-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN CC1(F)CCN(Cc2[nH]nc3c2CCC3)CC1 ZINC001232428933 978072592 /nfs/dbraw/zinc/07/25/92/978072592.db2.gz XXWLSUPMAWSUHY-UHFFFAOYSA-N 0 1 237.322 2.222 20 0 BEADMN Cc1ncc(CN2CC(F)(F)C[C@@]2(C)CF)[nH]1 ZINC001232460416 978099103 /nfs/dbraw/zinc/09/91/03/978099103.db2.gz PWLWVLKXFMCVND-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN CCc1ccc(CN2CC3(CC(O)C3)C2)cc1 ZINC001204173799 978102188 /nfs/dbraw/zinc/10/21/88/978102188.db2.gz IENINRNIHFVGQV-UHFFFAOYSA-N 0 1 231.339 2.206 20 0 BEADMN CCN(Cc1cnc(C)[nH]1)Cc1cccnc1 ZINC001232462813 978103035 /nfs/dbraw/zinc/10/30/35/978103035.db2.gz UHCIVWGBZPTQMC-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN CCCN(CCOC)Cc1cc(F)ccn1 ZINC001232490198 978129119 /nfs/dbraw/zinc/12/91/19/978129119.db2.gz JBYBPMWYRQLLKX-UHFFFAOYSA-N 0 1 226.295 2.079 20 0 BEADMN COc1ccc(O)cc1Nc1ccnc(CO)c1 ZINC001176575599 978132281 /nfs/dbraw/zinc/13/22/81/978132281.db2.gz DQKBLMLJEAGHAU-UHFFFAOYSA-N 0 1 246.266 2.032 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@@H](F)[C@H](O)C1 ZINC001232482171 978132576 /nfs/dbraw/zinc/13/25/76/978132576.db2.gz OYMLHLKVFCAGIK-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN COC[C@H]1CCN1Cc1c(C)cccc1F ZINC001232486178 978138499 /nfs/dbraw/zinc/13/84/99/978138499.db2.gz JOHFCQWWCZLDLR-LLVKDONJSA-N 0 1 223.291 2.355 20 0 BEADMN Oc1cc(Cl)cc(Nc2nnco2)c1 ZINC001176621420 978140722 /nfs/dbraw/zinc/14/07/22/978140722.db2.gz RTGRKMBLZQPMFY-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cc(F)ccn3)C[C@@H]12 ZINC001232497934 978154322 /nfs/dbraw/zinc/15/43/22/978154322.db2.gz NPVQEXDWIIVIPJ-ZWNOBZJWSA-N 0 1 248.301 2.022 20 0 BEADMN COc1cncc(OC)c1CN(C)CC(C)C ZINC001232500570 978154546 /nfs/dbraw/zinc/15/45/46/978154546.db2.gz KQEVIILLLLSDDH-UHFFFAOYSA-N 0 1 238.331 2.187 20 0 BEADMN CCC1(CNc2nccnc2CN)CCCC1 ZINC001337074703 978154568 /nfs/dbraw/zinc/15/45/68/978154568.db2.gz WWDZCRNPBJFNIE-UHFFFAOYSA-N 0 1 234.347 2.318 20 0 BEADMN COc1cncc(OC)c1CN(C)C(C)(C)C ZINC001232504980 978158087 /nfs/dbraw/zinc/15/80/87/978158087.db2.gz UCTBERVFEUVSIN-UHFFFAOYSA-N 0 1 238.331 2.329 20 0 BEADMN O[C@@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)CC1 ZINC001232550600 978177785 /nfs/dbraw/zinc/17/77/85/978177785.db2.gz ZWQXKDQBQGQMLB-CYBMUJFWSA-N 0 1 246.310 2.175 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C[C@H]1O ZINC001232550404 978177899 /nfs/dbraw/zinc/17/78/99/978177899.db2.gz VBWIDUSEEKGTBY-ZWNOBZJWSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@@H]1CCN(Cc2cc3ccoc3cn2)C[C@H]1O ZINC001232550404 978177906 /nfs/dbraw/zinc/17/79/06/978177906.db2.gz VBWIDUSEEKGTBY-ZWNOBZJWSA-N 0 1 246.310 2.031 20 0 BEADMN C[C@]1(O)CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232553398 978179140 /nfs/dbraw/zinc/17/91/40/978179140.db2.gz RDAPFENDECYWPT-AWEZNQCLSA-N 0 1 246.310 2.175 20 0 BEADMN CCOc1ccnc(C[N@H+]2CCC[C@@H]2C)c1 ZINC001232580133 978186191 /nfs/dbraw/zinc/18/61/91/978186191.db2.gz UHQVXANPIDSHQT-NSHDSACASA-N 0 1 220.316 2.465 20 0 BEADMN Cc1cc(C)nc(N2CCCC[C@@H]2CO)c1 ZINC000721876807 978204768 /nfs/dbraw/zinc/20/47/68/978204768.db2.gz AXFMLEITKQMQAU-GFCCVEGCSA-N 0 1 220.316 2.050 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2c[nH]c3ncncc23)C1 ZINC001232654880 978211996 /nfs/dbraw/zinc/21/19/96/978211996.db2.gz QDEMULILNKOQJR-ONGXEEELSA-N 0 1 248.305 2.089 20 0 BEADMN CNc1ccccc1CN1CC[C@H](F)C1 ZINC001232668427 978221261 /nfs/dbraw/zinc/22/12/61/978221261.db2.gz KCKGXSTXFQHKPQ-NSHDSACASA-N 0 1 208.280 2.272 20 0 BEADMN CNc1ccccc1CN1CCCC12COC2 ZINC001232672001 978223488 /nfs/dbraw/zinc/22/34/88/978223488.db2.gz VJCNFLMAONRZIZ-UHFFFAOYSA-N 0 1 232.327 2.093 20 0 BEADMN CNc1ccccc1CN1CCOC[C@H]1C1CC1 ZINC001232672620 978230209 /nfs/dbraw/zinc/23/02/09/978230209.db2.gz GXTMUTXWDQZILL-HNNXBMFYSA-N 0 1 246.354 2.339 20 0 BEADMN CNc1ccccc1CN1CC2(CSC2)C1 ZINC001232675152 978243180 /nfs/dbraw/zinc/24/31/80/978243180.db2.gz KFYBHPKTNFVPAS-UHFFFAOYSA-N 0 1 234.368 2.277 20 0 BEADMN Cn1ncnc1CN1CCC[C@H](C2CCCC2)C1 ZINC001176932861 978246878 /nfs/dbraw/zinc/24/68/78/978246878.db2.gz SFPKNCIBCFAOBC-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN COCC1CN(Cc2ccc3ncsc3c2)C1 ZINC001232736901 978257879 /nfs/dbraw/zinc/25/78/79/978257879.db2.gz NRWPEJSGQHQKQD-UHFFFAOYSA-N 0 1 248.351 2.375 20 0 BEADMN Cc1cc(N)nc(N[C@@H](C)c2ncccc2C)n1 ZINC001337325872 978289580 /nfs/dbraw/zinc/28/95/80/978289580.db2.gz SXEBUXFIAYXXLQ-JTQLQIEISA-N 0 1 243.314 2.244 20 0 BEADMN COc1cc(O)cc(CN2CCC(F)CC2)c1 ZINC001232800326 978294954 /nfs/dbraw/zinc/29/49/54/978294954.db2.gz CSBKGBUISJBIRR-UHFFFAOYSA-N 0 1 239.290 2.335 20 0 BEADMN COC1(OC)CC(CNc2cccc(C)n2)C1 ZINC001337363344 978307060 /nfs/dbraw/zinc/30/70/60/978307060.db2.gz MFOXSSQZSOPYAC-UHFFFAOYSA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc(O)cc(CN2CC[C@]23CCOC3)c1 ZINC001232881868 978318537 /nfs/dbraw/zinc/31/85/37/978318537.db2.gz LHUJAGVPTYGZLM-CQSZACIVSA-N 0 1 233.311 2.065 20 0 BEADMN COc1ncc(CN2CCC2)c2ccccc21 ZINC001232946097 978358274 /nfs/dbraw/zinc/35/82/74/978358274.db2.gz BWTDYYGMTXJLNP-UHFFFAOYSA-N 0 1 228.295 2.449 20 0 BEADMN C[N@@H+](Cc1cc([O-])c(F)c(F)c1)C1CC1 ZINC001232971003 978377149 /nfs/dbraw/zinc/37/71/49/978377149.db2.gz QCKRYDQLCMOLHN-UHFFFAOYSA-N 0 1 213.227 2.265 20 0 BEADMN C[C@H]1CC[N@H+](Cc2cc(Cl)ncc2[O-])C1 ZINC001233032383 978413469 /nfs/dbraw/zinc/41/34/69/978413469.db2.gz JGMUCVFYQLOLJN-QMMMGPOBSA-N 0 1 226.707 2.282 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ncc2[O-])C1 ZINC001233032383 978413476 /nfs/dbraw/zinc/41/34/76/978413476.db2.gz JGMUCVFYQLOLJN-QMMMGPOBSA-N 0 1 226.707 2.282 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1ccccc1N ZINC001206309115 978415083 /nfs/dbraw/zinc/41/50/83/978415083.db2.gz QWSVKINSSUWRBE-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN CCN(CC)Cc1ccc(N(C)C)nc1F ZINC001233112745 978469833 /nfs/dbraw/zinc/46/98/33/978469833.db2.gz GHXOMNFHRQLKEK-UHFFFAOYSA-N 0 1 225.311 2.129 20 0 BEADMN C[C@H]1CCCN1Cc1ccc(N(C)C)nc1F ZINC001233113327 978470289 /nfs/dbraw/zinc/47/02/89/978470289.db2.gz QANXGVFZUMZSQO-JTQLQIEISA-N 0 1 237.322 2.271 20 0 BEADMN Cc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cnc1C ZINC001233158492 978476471 /nfs/dbraw/zinc/47/64/71/978476471.db2.gz JGXMDOVYKGLRBJ-OKILXGFUSA-N 0 1 244.338 2.394 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cnc1C ZINC001233157000 978478006 /nfs/dbraw/zinc/47/80/06/978478006.db2.gz YFDSXVNERRDUML-IHRRRGAJSA-N 0 1 234.318 2.488 20 0 BEADMN CO[C@H](C)C1CN(Cc2cnc(C)c(C)c2)C1 ZINC001233162967 978480628 /nfs/dbraw/zinc/48/06/28/978480628.db2.gz OSUXVSKJSQZDKE-GFCCVEGCSA-N 0 1 234.343 2.165 20 0 BEADMN C[C@]1(O)CCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261266 978515068 /nfs/dbraw/zinc/51/50/68/978515068.db2.gz IQMFZPCMCSMPQG-ZDUSSCGKSA-N 0 1 237.368 2.322 20 0 BEADMN CC[N@@H+](CCN(C)C)Cc1ccc([S-])cc1 ZINC001233258911 978515136 /nfs/dbraw/zinc/51/51/36/978515136.db2.gz YSLPMSWOKIJPMN-UHFFFAOYSA-N 0 1 238.400 2.359 20 0 BEADMN CCN(CC[NH+](C)C)Cc1ccc([S-])cc1 ZINC001233258911 978515145 /nfs/dbraw/zinc/51/51/45/978515145.db2.gz YSLPMSWOKIJPMN-UHFFFAOYSA-N 0 1 238.400 2.359 20 0 BEADMN [S-]c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001233259308 978515663 /nfs/dbraw/zinc/51/56/63/978515663.db2.gz NSRIXWUTXZZERV-CHWSQXEVSA-N 0 1 235.352 2.339 20 0 BEADMN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233262897 978520631 /nfs/dbraw/zinc/52/06/31/978520631.db2.gz YUSTVRACLVFWBJ-GFCCVEGCSA-N 0 1 235.352 2.386 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1cnccn1 ZINC001233261407 978521133 /nfs/dbraw/zinc/52/11/33/978521133.db2.gz OALNPRBDWOEIOL-UHFFFAOYSA-N 0 1 245.351 2.397 20 0 BEADMN CC(=O)[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233262898 978521333 /nfs/dbraw/zinc/52/13/33/978521333.db2.gz YUSTVRACLVFWBJ-LBPRGKRZSA-N 0 1 235.352 2.386 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1ccncn1 ZINC001233263316 978522721 /nfs/dbraw/zinc/52/27/21/978522721.db2.gz OTIAPTRPOSRCCJ-UHFFFAOYSA-N 0 1 245.351 2.397 20 0 BEADMN c1cc2c(c(CN3CC4(CSC4)C3)c1)CCO2 ZINC001233278153 978529587 /nfs/dbraw/zinc/52/95/87/978529587.db2.gz FYBFZCFSNOFPAS-UHFFFAOYSA-N 0 1 247.363 2.170 20 0 BEADMN CC(C)C[C@@H]1CCCN(c2nccnc2CN)C1 ZINC001337889225 978550227 /nfs/dbraw/zinc/55/02/27/978550227.db2.gz XQQUGUYPKYDZEK-LBPRGKRZSA-N 0 1 248.374 2.198 20 0 BEADMN CC(C)(C)C1CC(Nc2nccnc2CN)C1 ZINC001337894095 978555973 /nfs/dbraw/zinc/55/59/73/978555973.db2.gz HVGYTMQELKMPRB-UHFFFAOYSA-N 0 1 234.347 2.172 20 0 BEADMN Cc1cnsc1CN(C)C[C@H]1CCCCO1 ZINC001233320584 978556388 /nfs/dbraw/zinc/55/63/88/978556388.db2.gz GCSFNBMBXNUGBO-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CC[C@@H]1CCC[C@@H]1CNc1nccnc1CN ZINC001337896154 978557116 /nfs/dbraw/zinc/55/71/16/978557116.db2.gz UVJWUVFRMXBZFZ-GHMZBOCLSA-N 0 1 234.347 2.174 20 0 BEADMN Cc1cnsc1CN1CCC[C@@]2(CCO2)C1 ZINC001233321217 978558333 /nfs/dbraw/zinc/55/83/33/978558333.db2.gz FLDMHUHQPJZNFH-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN CC(C)(C)c1nccc(NCCc2ccn[nH]2)n1 ZINC001337954395 978573491 /nfs/dbraw/zinc/57/34/91/978573491.db2.gz XHJMOIPSAOFWKB-UHFFFAOYSA-N 0 1 245.330 2.152 20 0 BEADMN C[C@H]1CCN(Cc2cc(F)c(F)cc2N)C1 ZINC001233377949 978586822 /nfs/dbraw/zinc/58/68/22/978586822.db2.gz AEIYSZSNZXRLNB-QMMMGPOBSA-N 0 1 226.270 2.389 20 0 BEADMN CCCc1cncc(Oc2nccnc2CN)c1 ZINC001338055525 978600123 /nfs/dbraw/zinc/60/01/23/978600123.db2.gz VAOUBRWFRMCKGU-UHFFFAOYSA-N 0 1 244.298 2.075 20 0 BEADMN CCCC(C)(C)C(=O)NCc1cnc(CC)[nH]1 ZINC001178670170 978603449 /nfs/dbraw/zinc/60/34/49/978603449.db2.gz SRTXYIXHEMANQM-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CC[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233586556 978635980 /nfs/dbraw/zinc/63/59/80/978635980.db2.gz GDYWENXAFPUGHK-YFKPBYRVSA-N 0 1 202.641 2.013 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001203357611 978639065 /nfs/dbraw/zinc/63/90/65/978639065.db2.gz ROWSGKUBDUJMPM-LLVKDONJSA-N 0 1 221.275 2.237 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@H](C)C2)[nH]c1C(=O)[O-] ZINC001600194872 978673426 /nfs/dbraw/zinc/67/34/26/978673426.db2.gz BTJCEHGCLGSLTH-VIFPVBQESA-N 0 1 236.315 2.253 20 0 BEADMN O=c1[nH]cccc1CNCc1ccc(Cl)nc1 ZINC001179299746 978686962 /nfs/dbraw/zinc/68/69/62/978686962.db2.gz XBZGSZGUNZVROT-UHFFFAOYSA-N 0 1 249.701 2.125 20 0 BEADMN Cc1ccc(C[NH2+][C@H](CF)C(=O)[O-])c(Cl)c1 ZINC001600419478 978691101 /nfs/dbraw/zinc/69/11/01/978691101.db2.gz NJIHBCHDNHZFRR-SNVBAGLBSA-N 0 1 245.681 2.161 20 0 BEADMN Cc1cc[nH+]c(NCc2ncc(C(=O)[O-])s2)c1 ZINC001600600349 978703240 /nfs/dbraw/zinc/70/32/40/978703240.db2.gz FHMIUDASHSVGOE-UHFFFAOYSA-N 0 1 249.295 2.157 20 0 BEADMN CC(=O)C1CCN(Cc2ccoc2)CC1 ZINC001204244395 978707147 /nfs/dbraw/zinc/70/71/47/978707147.db2.gz CGGOSHHKEWDLGZ-UHFFFAOYSA-N 0 1 207.273 2.081 20 0 BEADMN C[C@@H]1CCCN(Cc2ccc3c(n2)OCCO3)C1 ZINC001233839330 978709468 /nfs/dbraw/zinc/70/94/68/978709468.db2.gz PVGSQBUMDFZECX-LLVKDONJSA-N 0 1 248.326 2.085 20 0 BEADMN COc1nscc1NCc1n[nH]c(C)c1C ZINC001179498188 978710930 /nfs/dbraw/zinc/71/09/30/978710930.db2.gz YZOXTOSNMWPLCR-UHFFFAOYSA-N 0 1 238.316 2.104 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2cccc(O)c2F)CC1 ZINC001233868964 978716864 /nfs/dbraw/zinc/71/68/64/978716864.db2.gz YZEWUBUJFXGGOR-JTQLQIEISA-N 0 1 239.290 2.394 20 0 BEADMN Cn1c(C[N@H+]2CCC23CCCC3)ccc1C(=O)[O-] ZINC001600913447 978743042 /nfs/dbraw/zinc/74/30/42/978743042.db2.gz AYFCJFVMHDGWLK-UHFFFAOYSA-N 0 1 248.326 2.242 20 0 BEADMN CCCc1ccc(CNCc2nnc[nH]2)s1 ZINC001179842743 978764065 /nfs/dbraw/zinc/76/40/65/978764065.db2.gz VOBXGCSXJUREIA-UHFFFAOYSA-N 0 1 236.344 2.109 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)[nH]c2c1 ZINC001339056490 978783098 /nfs/dbraw/zinc/78/30/98/978783098.db2.gz SMOGTNRGYWJCOK-HTQZYQBOSA-N 0 1 233.246 2.168 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@H]3C[C@H]3F)[nH]c2c1 ZINC001339056492 978783251 /nfs/dbraw/zinc/78/32/51/978783251.db2.gz SMOGTNRGYWJCOK-JGVFFNPUSA-N 0 1 233.246 2.168 20 0 BEADMN CC(C)=CCc1ccc(N2CCN(C)CC2)nc1 ZINC001249950923 978787310 /nfs/dbraw/zinc/78/73/10/978787310.db2.gz AYVRPJJHHVXSFA-UHFFFAOYSA-N 0 1 245.370 2.342 20 0 BEADMN C=C(F)C(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001180110484 978819382 /nfs/dbraw/zinc/81/93/82/978819382.db2.gz AJQJMNUKGMDZAX-UHFFFAOYSA-N 0 1 219.219 2.293 20 0 BEADMN O=C([O-])C1(C[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001601708894 978833614 /nfs/dbraw/zinc/83/36/14/978833614.db2.gz QZKQMTCOWWXURR-UHFFFAOYSA-N 0 1 237.343 2.363 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC001601988144 978877077 /nfs/dbraw/zinc/87/70/77/978877077.db2.gz VYMKSBPPZMWFBU-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC001602053463 978887242 /nfs/dbraw/zinc/88/72/42/978887242.db2.gz WVTTWHSQEQQNSD-GXTWGEPZSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1nc(F)nc2nc[nH]c21 ZINC001234686173 978897933 /nfs/dbraw/zinc/89/79/33/978897933.db2.gz AZPKSDIEQHWTAY-NKWVEPMBSA-N 0 1 236.250 2.059 20 0 BEADMN CC(C)C[C@@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234687034 978898151 /nfs/dbraw/zinc/89/81/51/978898151.db2.gz LWEQUANLFWXXRF-SSDOTTSWSA-N 0 1 238.266 2.305 20 0 BEADMN CCc1ccc(NCc2n[nH]c(C(C)C)n2)nc1 ZINC001339735749 978903023 /nfs/dbraw/zinc/90/30/23/978903023.db2.gz KIXUDDQVLIEVQR-UHFFFAOYSA-N 0 1 245.330 2.498 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1)N(C)C ZINC001180865048 978960359 /nfs/dbraw/zinc/96/03/59/978960359.db2.gz RQVNDHJHGRDJNR-SRVKXCTJSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc2cccc(F)c2[nH]1 ZINC001235237331 979004821 /nfs/dbraw/zinc/00/48/21/979004821.db2.gz JAFHSLZUHOOWRG-SKDRFNHKSA-N 0 1 248.301 2.262 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1cc2cccc(F)c2[nH]1 ZINC001235237331 979004827 /nfs/dbraw/zinc/00/48/27/979004827.db2.gz JAFHSLZUHOOWRG-SKDRFNHKSA-N 0 1 248.301 2.262 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1cc2cccc(F)c2[nH]1 ZINC001235234132 979005169 /nfs/dbraw/zinc/00/51/69/979005169.db2.gz JAFHSLZUHOOWRG-BXKDBHETSA-N 0 1 248.301 2.262 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(OC)ncc2F)C1 ZINC001235330053 979025159 /nfs/dbraw/zinc/02/51/59/979025159.db2.gz QPRNTPXYUUGSBC-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN COCCOCc1ccc2n[nH]c(C)c2c1 ZINC001250001896 979059466 /nfs/dbraw/zinc/05/94/66/979059466.db2.gz MRUMVUATXGNPMX-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC3(CCCC3)C2)c[nH]1 ZINC001602255560 979096081 /nfs/dbraw/zinc/09/60/81/979096081.db2.gz LWKCQUVGLHDXJI-UHFFFAOYSA-N 0 1 248.326 2.479 20 0 BEADMN O=C([O-])c1cc(C[N@@H+](CC2CC2)C2CCC2)c[nH]1 ZINC001602256711 979097299 /nfs/dbraw/zinc/09/72/99/979097299.db2.gz IRLKMTSPQJGSAA-UHFFFAOYSA-N 0 1 248.326 2.477 20 0 BEADMN Fc1ccc2nc(CN3CC(F)(F)C3)[nH]c2c1 ZINC001235685044 979119084 /nfs/dbraw/zinc/11/90/84/979119084.db2.gz XLLLISSOYGXYED-UHFFFAOYSA-N 0 1 241.216 2.153 20 0 BEADMN CN(CCF)Cc1nc2ccc(F)cc2[nH]1 ZINC001235695276 979124526 /nfs/dbraw/zinc/12/45/26/979124526.db2.gz TZWWGMQEIBEDSX-UHFFFAOYSA-N 0 1 225.242 2.103 20 0 BEADMN Cc1nnc(SC[C@@H](C)C(F)(F)F)[nH]1 ZINC001340912110 979155231 /nfs/dbraw/zinc/15/52/31/979155231.db2.gz QNZVSLMXDYEBMS-SCSAIBSYSA-N 0 1 225.239 2.404 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235817497 979158528 /nfs/dbraw/zinc/15/85/28/979158528.db2.gz NAVWUZYNNRZDAV-SRVKXCTJSA-N 0 1 238.281 2.461 20 0 BEADMN CC[C@]1(O)CCN([C@H](C)c2ccc(F)nc2)C1 ZINC001341176297 979263417 /nfs/dbraw/zinc/26/34/17/979263417.db2.gz WJRDMVBIIWDEQH-MFKMUULPSA-N 0 1 238.306 2.129 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+](C1CC1)C1CCCC1 ZINC001602954961 979337894 /nfs/dbraw/zinc/33/78/94/979337894.db2.gz JLEADOIWGOBJJH-NTMALXAHSA-N 0 1 223.316 2.424 20 0 BEADMN CN[C@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001236167641 979422119 /nfs/dbraw/zinc/42/21/19/979422119.db2.gz SOZJPWFUKXTXOH-CQSZACIVSA-N 0 1 218.344 2.363 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001603503261 979464831 /nfs/dbraw/zinc/46/48/31/979464831.db2.gz BGWHZQITGRTUCH-CMPLNLGQSA-N 0 1 243.372 2.069 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2cnccc2o1 ZINC001603498439 979465472 /nfs/dbraw/zinc/46/54/72/979465472.db2.gz FSTROOACYXIKFR-LLVKDONJSA-N 0 1 248.282 2.123 20 0 BEADMN CN1CCN(c2ccc(C3CCCC3)cn2)CC1 ZINC001250041623 979482460 /nfs/dbraw/zinc/48/24/60/979482460.db2.gz UHSKSMGGXKFDCD-UHFFFAOYSA-N 0 1 245.370 2.491 20 0 BEADMN Nc1ccc(-c2cc(N3CCCC3)ccn2)cn1 ZINC001236309554 979512772 /nfs/dbraw/zinc/51/27/72/979512772.db2.gz SSVLUFAULSVFAR-UHFFFAOYSA-N 0 1 240.310 2.326 20 0 BEADMN C[C@H]([C@H]1C[C@H]1C(=O)[O-])n1c[nH+]c2c1CCCC2 ZINC001604050792 979563733 /nfs/dbraw/zinc/56/37/33/979563733.db2.gz SBRWBZSDKVIWIS-OPRDCNLKSA-N 0 1 234.299 2.044 20 0 BEADMN COc1cncnc1-c1c(F)ccc(C)c1O ZINC001236393366 979578901 /nfs/dbraw/zinc/57/89/01/979578901.db2.gz SPCJPJVJOFOLJT-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN CC(C)N1CC[C@H]1C(=O)N1CCCC[C@@H](C)C1 ZINC001182838446 979660411 /nfs/dbraw/zinc/66/04/11/979660411.db2.gz PZVQOHGYEJHVSC-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001604475530 979660679 /nfs/dbraw/zinc/66/06/79/979660679.db2.gz MLHZHRRTSXQUAL-MJVIPROJSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CC1CC1 ZINC001604479225 979662542 /nfs/dbraw/zinc/66/25/42/979662542.db2.gz QTLIJZOFNVRFMA-SSDOTTSWSA-N 0 1 240.328 2.244 20 0 BEADMN CCCO[C@H]1CCN(Cc2oc(C)nc2C)C1 ZINC001236592785 979673339 /nfs/dbraw/zinc/67/33/39/979673339.db2.gz VHCCXKPUPHSDJU-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN Cc1cccc2nc(NC(=O)CC(F)F)[nH]c21 ZINC001182962161 979678000 /nfs/dbraw/zinc/67/80/00/979678000.db2.gz UBGDUHPFYLDJAB-UHFFFAOYSA-N 0 1 239.225 2.465 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001604586838 979682153 /nfs/dbraw/zinc/68/21/53/979682153.db2.gz CDEXDJMCRJOFLM-LBPRGKRZSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001604586838 979682156 /nfs/dbraw/zinc/68/21/56/979682156.db2.gz CDEXDJMCRJOFLM-LBPRGKRZSA-N 0 1 240.278 2.037 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001604665021 979695119 /nfs/dbraw/zinc/69/51/19/979695119.db2.gz PDPCZBATIGEPGQ-AOOOYVTPSA-N 0 1 219.284 2.368 20 0 BEADMN C[N@@H+](Cc1ccc(F)c([O-])c1)CC1CC1 ZINC001236704693 979699072 /nfs/dbraw/zinc/69/90/72/979699072.db2.gz YULXGVGFCWCVRJ-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN C[N@H+](Cc1ccc(F)c([O-])c1)CC1CC1 ZINC001236704693 979699077 /nfs/dbraw/zinc/69/90/77/979699077.db2.gz YULXGVGFCWCVRJ-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC001604715382 979710517 /nfs/dbraw/zinc/71/05/17/979710517.db2.gz BJLCVZPACLBYTJ-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@H]1C=CCC1 ZINC001331364528 979749390 /nfs/dbraw/zinc/74/93/90/979749390.db2.gz ORJUVEQEEXHLDQ-JSGCOSHPSA-N 0 1 244.338 2.077 20 0 BEADMN O[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236890267 979781140 /nfs/dbraw/zinc/78/11/40/979781140.db2.gz JTWWHJHKEHHPAU-SNVBAGLBSA-N 0 1 235.258 2.139 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001604960891 979783164 /nfs/dbraw/zinc/78/31/64/979783164.db2.gz XPQDUYBLGJSSGS-SECBINFHSA-N 0 1 224.304 2.252 20 0 BEADMN CC(C)CCCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236982779 979800455 /nfs/dbraw/zinc/80/04/55/979800455.db2.gz RMNPZFMSIZYQDP-SNVBAGLBSA-N 0 1 238.297 2.259 20 0 BEADMN CC(C)(C)Oc1cccc(CN2CC(CO)C2)c1 ZINC001237101639 979816206 /nfs/dbraw/zinc/81/62/06/979816206.db2.gz FOUWIPZLYFQSBF-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN CC[C@H]1CC[N@H+]([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001605170443 979824725 /nfs/dbraw/zinc/82/47/25/979824725.db2.gz CHCTWWWAWOLNQH-BDAKNGLRSA-N 0 1 238.287 2.166 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC001605171308 979827402 /nfs/dbraw/zinc/82/74/02/979827402.db2.gz JRAABCOUUMZXSW-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H]1CCC[N@H+]1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001605167012 979827472 /nfs/dbraw/zinc/82/74/72/979827472.db2.gz UXPHMZXTCWSUPX-GHMZBOCLSA-N 0 1 239.315 2.008 20 0 BEADMN CN(C)Cc1ccc(-c2csc(CO)c2)nc1 ZINC001205270671 979830153 /nfs/dbraw/zinc/83/01/53/979830153.db2.gz DFKWGOAUTDUSBM-UHFFFAOYSA-N 0 1 248.351 2.364 20 0 BEADMN CC[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC001605173477 979830248 /nfs/dbraw/zinc/83/02/48/979830248.db2.gz YVGCLJQJMZSEKZ-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001605171140 979830749 /nfs/dbraw/zinc/83/07/49/979830749.db2.gz JPOPVRWXGHJCFC-PORFMDCZSA-N 0 1 235.283 2.362 20 0 BEADMN S=C1C=COC1CN1CCOCC12CCC2 ZINC001237191697 979843019 /nfs/dbraw/zinc/84/30/19/979843019.db2.gz NMLPTKJZRIOURG-UHFFFAOYSA-N 0 1 239.340 2.323 20 0 BEADMN CCCCC[C@H]([NH2+]Cc1ocnc1C)C(=O)[O-] ZINC001605260065 979848465 /nfs/dbraw/zinc/84/84/65/979848465.db2.gz KTLUFLHKCGLIJM-JTQLQIEISA-N 0 1 240.303 2.106 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001605313814 979851310 /nfs/dbraw/zinc/85/13/10/979851310.db2.gz MTWQIXHIBKEICN-ZJUUUORDSA-N 0 1 247.285 2.074 20 0 BEADMN CCCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC001605277983 979851458 /nfs/dbraw/zinc/85/14/58/979851458.db2.gz JLSNHYUHMFOVOW-UHFFFAOYSA-N 0 1 236.315 2.477 20 0 BEADMN CCC[N@@H+](CC)Cc1cc(C(=O)[O-])c(C)n1C ZINC001605312667 979855027 /nfs/dbraw/zinc/85/50/27/979855027.db2.gz NBCSPMJLMUCSJF-UHFFFAOYSA-N 0 1 238.331 2.264 20 0 BEADMN Cc1ccnc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001605359618 979860177 /nfs/dbraw/zinc/86/01/77/979860177.db2.gz IZRMFEYVPKCPJH-RYUDHWBXSA-N 0 1 248.326 2.075 20 0 BEADMN COc1ccc2c(c1)n[nH]c2CN1CC(C)(F)C1 ZINC001237384850 979883226 /nfs/dbraw/zinc/88/32/26/979883226.db2.gz FDHLSIVHCOWXOM-UHFFFAOYSA-N 0 1 249.289 2.115 20 0 BEADMN c1c(CN2CCC[C@H]3C[C@H]32)nn2ccccc12 ZINC001237448479 979896414 /nfs/dbraw/zinc/89/64/14/979896414.db2.gz FTUIBFHUXDQMCH-SMDDNHRTSA-N 0 1 227.311 2.319 20 0 BEADMN CCc1ccc[nH+]c1N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC001605836917 979918809 /nfs/dbraw/zinc/91/88/09/979918809.db2.gz VUIYYEVNJZUXFM-QWRGUYRKSA-N 0 1 234.299 2.309 20 0 BEADMN COC[C@H]1CN(CCCCC(C)C)CCO1 ZINC001342865331 979922006 /nfs/dbraw/zinc/92/20/06/979922006.db2.gz YWYHJXGYRNHITF-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN CCCCC[C@@H](C)N[C@H](CO)c1ncc[nH]1 ZINC001183991526 979925755 /nfs/dbraw/zinc/92/57/55/979925755.db2.gz KGECBZZZWKIRQJ-GHMZBOCLSA-N 0 1 225.336 2.002 20 0 BEADMN COc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(OC)n1 ZINC001237568763 979941900 /nfs/dbraw/zinc/94/19/00/979941900.db2.gz OGUPWPXKIMVRHP-CMPLNLGQSA-N 0 1 248.326 2.083 20 0 BEADMN CCc1[nH]ncc1CN1CCCC(F)(F)C1 ZINC001237648651 979997549 /nfs/dbraw/zinc/99/75/49/979997549.db2.gz DGLWZENRAUTTMF-UHFFFAOYSA-N 0 1 229.274 2.203 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H](C)C1(C)CC1 ZINC001343170596 980030417 /nfs/dbraw/zinc/03/04/17/980030417.db2.gz CXLWATQWBQTKRH-YPMHNXCESA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@]1(F)CCCCN(Cc2c[nH]ccc2=O)C1 ZINC001237835143 980082583 /nfs/dbraw/zinc/08/25/83/980082583.db2.gz PJVRHLMYTGZEJB-CYBMUJFWSA-N 0 1 238.306 2.089 20 0 BEADMN COc1ccoc1CN1CCCC12CC2 ZINC001237862378 980099043 /nfs/dbraw/zinc/09/90/43/980099043.db2.gz ALRLFNFZSIXNLW-UHFFFAOYSA-N 0 1 207.273 2.417 20 0 BEADMN COc1ccoc1CN1CCC(C)(OC)CC1 ZINC001237863371 980100630 /nfs/dbraw/zinc/10/06/30/980100630.db2.gz LJULURATAMKUDD-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN COCC1CCN(Cc2occc2OC)CC1 ZINC001237863045 980101461 /nfs/dbraw/zinc/10/14/61/980101461.db2.gz JANIPOJEGFUNMP-UHFFFAOYSA-N 0 1 239.315 2.147 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC001607451475 980108837 /nfs/dbraw/zinc/10/88/37/980108837.db2.gz JOTATJQDNXPWKL-DFVUYQKZSA-N 0 1 237.274 2.244 20 0 BEADMN COc1ccoc1CN(C)CCc1cccnc1 ZINC001237873174 980109252 /nfs/dbraw/zinc/10/92/52/980109252.db2.gz DFQAZBVYZHKDIW-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccoc1CN1CCC[C@@H](CF)C1 ZINC001237871926 980109657 /nfs/dbraw/zinc/10/96/57/980109657.db2.gz OEXFUUSUWXOPRH-JTQLQIEISA-N 0 1 227.279 2.470 20 0 BEADMN CC(C)[C@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343441699 980109813 /nfs/dbraw/zinc/10/98/13/980109813.db2.gz GYNNUMDBCHHXQO-VIFPVBQESA-N 0 1 247.298 2.293 20 0 BEADMN CC(C)[C@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343441699 980109815 /nfs/dbraw/zinc/10/98/15/980109815.db2.gz GYNNUMDBCHHXQO-VIFPVBQESA-N 0 1 247.298 2.293 20 0 BEADMN CCC(CC)C(=O)N(C)CCCN(C)CCF ZINC001273489112 980111215 /nfs/dbraw/zinc/11/12/15/980111215.db2.gz WKOKZESYSFJQJN-UHFFFAOYSA-N 0 1 246.370 2.172 20 0 BEADMN CN(Cc1cccc2cncn21)CC(F)F ZINC001238111614 980160342 /nfs/dbraw/zinc/16/03/42/980160342.db2.gz ZICZTBSNLZHOGT-UHFFFAOYSA-N 0 1 225.242 2.031 20 0 BEADMN Cc1ccc(O)cc1CN1CC[C@]12CCOC2 ZINC001238111183 980164023 /nfs/dbraw/zinc/16/40/23/980164023.db2.gz UQSPEQDYBCYXOR-CQSZACIVSA-N 0 1 233.311 2.065 20 0 BEADMN COc1cnc(F)c(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001238125659 980168899 /nfs/dbraw/zinc/16/88/99/980168899.db2.gz JCUKGRCDWVRQBB-SKDRFNHKSA-N 0 1 236.290 2.214 20 0 BEADMN CCC1CCN(Cc2c(N)ccnc2F)CC1 ZINC001238150285 980176957 /nfs/dbraw/zinc/17/69/57/980176957.db2.gz QNWAYESFFHNWHC-UHFFFAOYSA-N 0 1 237.322 2.425 20 0 BEADMN CC1(C)CCCN1Cc1c(N)ccnc1F ZINC001238153332 980177748 /nfs/dbraw/zinc/17/77/48/980177748.db2.gz LWXQMOZQCJHGKB-UHFFFAOYSA-N 0 1 223.295 2.177 20 0 BEADMN C[C@H]1CCCN(Cc2c(N)ccnc2F)C1 ZINC001238154925 980181752 /nfs/dbraw/zinc/18/17/52/980181752.db2.gz ZBFLBWRFXIKTOP-VIFPVBQESA-N 0 1 223.295 2.035 20 0 BEADMN C[C@@H]1CN(Cc2c(N)ccnc2F)C2(CC2)C1 ZINC001238158062 980182769 /nfs/dbraw/zinc/18/27/69/980182769.db2.gz AIIDVPGIQGXDEK-VIFPVBQESA-N 0 1 235.306 2.177 20 0 BEADMN CN(Cc1c(N)ccnc1F)CC1CCCC1 ZINC001238160851 980185352 /nfs/dbraw/zinc/18/53/52/980185352.db2.gz WQPAAGBNQIWNHY-UHFFFAOYSA-N 0 1 237.322 2.425 20 0 BEADMN NC(=[NH+]OCc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC001608227332 980187742 /nfs/dbraw/zinc/18/77/42/980187742.db2.gz MMRAMFNBCSNTRN-UHFFFAOYSA-N 0 1 248.282 2.183 20 0 BEADMN C[C@@H]1CN(Cc2cncc(C3CC3)c2)CC[C@@H]1O ZINC001238182205 980211737 /nfs/dbraw/zinc/21/17/37/980211737.db2.gz PRQJNOKRKGXOGL-ABAIWWIYSA-N 0 1 246.354 2.162 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001608569899 980234879 /nfs/dbraw/zinc/23/48/79/980234879.db2.gz ZGJINAVGUDGZPS-GFCCVEGCSA-N 0 1 231.295 2.298 20 0 BEADMN COCCN(C)Cc1cc(C)c(Cl)cn1 ZINC001238426228 980252954 /nfs/dbraw/zinc/25/29/54/980252954.db2.gz JFTDZXAEDLVIHH-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN Cn1ccnc1[C@H](NC/C=C\C1CC1)C1CC1 ZINC001343925388 980278250 /nfs/dbraw/zinc/27/82/50/980278250.db2.gz DOPBWWHZZXJLAS-XQJDBVBESA-N 0 1 231.343 2.427 20 0 BEADMN CCN(C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238589900 980290092 /nfs/dbraw/zinc/29/00/92/980290092.db2.gz FIQCQQMOKDHSDN-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001608819945 980298010 /nfs/dbraw/zinc/29/80/10/980298010.db2.gz GGBPLWPVAPJXTO-LLVKDONJSA-N 0 1 223.316 2.116 20 0 BEADMN c1cc(C2CC2)ncc1-c1ncc2c(n1)CNC2 ZINC001238846991 980336758 /nfs/dbraw/zinc/33/67/58/980336758.db2.gz BNJYYMWXXCKVAU-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@](F)(C(=O)[O-])C1)C(C)(C)C ZINC000901519697 980337157 /nfs/dbraw/zinc/33/71/57/980337157.db2.gz RFHJUOWXDKUAAO-CABZTGNLSA-N 0 1 231.311 2.167 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC001344161079 980354358 /nfs/dbraw/zinc/35/43/58/980354358.db2.gz TYJMFGVYYFAACM-UWVGGRQHSA-N 0 1 249.314 2.328 20 0 BEADMN COC(=O)c1cccc(CNC(C)(C)CF)c1 ZINC001344440668 980396056 /nfs/dbraw/zinc/39/60/56/980396056.db2.gz VPVBYJDYQZTYSP-UHFFFAOYSA-N 0 1 239.290 2.311 20 0 BEADMN CCCC(=O)NC[C@@H](C)N(CC)C/C=C\Cl ZINC001151566064 980407175 /nfs/dbraw/zinc/40/71/75/980407175.db2.gz PZWMDROBPJFAID-BPOWMSRESA-N 0 1 246.782 2.366 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1cnccc1C ZINC001344598600 980442675 /nfs/dbraw/zinc/44/26/75/980442675.db2.gz YXBFLZLIUBIMHZ-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@]12C[C@@H]1CCCC2 ZINC001344825434 980478435 /nfs/dbraw/zinc/47/84/35/980478435.db2.gz QQPWIEZUKWVFPD-GXFFZTMASA-N 0 1 234.299 2.455 20 0 BEADMN COC(=O)c1cc2ccc(-c3cnoc3)[nH]c-2n1 ZINC001239171047 980481526 /nfs/dbraw/zinc/48/15/26/980481526.db2.gz DDQQZTXZLSTHJJ-UHFFFAOYSA-N 0 1 243.222 2.005 20 0 BEADMN CN1CCc2c(F)cc(-c3cnoc3)cc2C1 ZINC001239193679 980494238 /nfs/dbraw/zinc/49/42/38/980494238.db2.gz AZBJGGCXQLHZHT-UHFFFAOYSA-N 0 1 232.258 2.469 20 0 BEADMN Cc1ccccc1[C@H](CO)NCc1ccncc1 ZINC001345052668 980535230 /nfs/dbraw/zinc/53/52/30/980535230.db2.gz CJDGLGOVADVNMT-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN O=C(/C=C/c1cccc(F)c1)OCCN1CCC1 ZINC001345079654 980541987 /nfs/dbraw/zinc/54/19/87/980541987.db2.gz NUXBLXUFFDPZSW-AATRIKPKSA-N 0 1 249.285 2.088 20 0 BEADMN CCCCCOC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001239336410 980542933 /nfs/dbraw/zinc/54/29/33/980542933.db2.gz GWZBXIQKLMJJRD-TXEJJXNPSA-N 0 1 240.347 2.140 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)OC1CCCC1 ZINC001239336372 980543249 /nfs/dbraw/zinc/54/32/49/980543249.db2.gz FTTIRSMXWYBNAF-LLVKDONJSA-N 0 1 240.347 2.140 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cnccc1C1CC1 ZINC001188050839 980578316 /nfs/dbraw/zinc/57/83/16/980578316.db2.gz XBFOVFLYOSYORC-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN C1=C(c2cc(N3CCCCC3)ccn2)COC1 ZINC001239475440 980611649 /nfs/dbraw/zinc/61/16/49/980611649.db2.gz AZOSEAVLDUUANT-UHFFFAOYSA-N 0 1 230.311 2.486 20 0 BEADMN CC(C)(C)c1nc2nc[nH]c2c(C2=CCOC2)n1 ZINC001239475716 980611880 /nfs/dbraw/zinc/61/18/80/980611880.db2.gz MDDZXFHWDFGNFI-UHFFFAOYSA-N 0 1 244.298 2.016 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1ncc(C(F)(F)F)[nH]1 ZINC001188277604 980631696 /nfs/dbraw/zinc/63/16/96/980631696.db2.gz HQHXXQYOCBXRIB-ZCFIWIBFSA-N 0 1 249.236 2.203 20 0 BEADMN CCCN(CCOC)Cc1[nH]c(CC)nc1C ZINC001203233335 980635885 /nfs/dbraw/zinc/63/58/85/980635885.db2.gz ABFXTSUVFDXDPE-UHFFFAOYSA-N 0 1 239.363 2.139 20 0 BEADMN C[C@H](OC(=O)C[C@H]1CC=CCC1)c1nnc[nH]1 ZINC001345640821 980654738 /nfs/dbraw/zinc/65/47/38/980654738.db2.gz LVHCSDHJUQNYCL-UWVGGRQHSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@@H](OC(=O)C[C@@H]1CC=CCC1)c1nnc[nH]1 ZINC001345640820 980656014 /nfs/dbraw/zinc/65/60/14/980656014.db2.gz LVHCSDHJUQNYCL-NXEZZACHSA-N 0 1 235.287 2.155 20 0 BEADMN COc1ncc(-c2nccc3[nH]cnc32)cc1F ZINC001239496551 980657677 /nfs/dbraw/zinc/65/76/77/980657677.db2.gz TUVBGBIWUZEUHT-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1ncc(-c2[nH]ccc3ncnc2-3)cc1F ZINC001239496551 980657685 /nfs/dbraw/zinc/65/76/85/980657685.db2.gz TUVBGBIWUZEUHT-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN c1nc(CSc2nncc3ccccc32)n[nH]1 ZINC001188598940 980667417 /nfs/dbraw/zinc/66/74/17/980667417.db2.gz HXIBYSUIHDSODS-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN CCCC(=O)N1CC[C@H](N(C)C/C=C\Cl)C1 ZINC001188641446 980687661 /nfs/dbraw/zinc/68/76/61/980687661.db2.gz GUTWRJZAHGAQIE-IBHLPDHGSA-N 0 1 244.766 2.072 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H](C)C1CCC1 ZINC001345808571 980689412 /nfs/dbraw/zinc/68/94/12/980689412.db2.gz CYRFUVNZMSQODF-RISCZKNCSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1nc(-c2cccc(F)c2)nc2nc[nH]c21 ZINC001239531790 980704400 /nfs/dbraw/zinc/70/44/00/980704400.db2.gz FOVZPXXUXZCPIT-UHFFFAOYSA-N 0 1 228.230 2.419 20 0 BEADMN CS[C@@H](C)[C@@H](C)OC(=O)c1[nH]cnc1C ZINC001345913223 980706646 /nfs/dbraw/zinc/70/66/46/980706646.db2.gz OGOCSILUAQXJOP-SFYZADRCSA-N 0 1 228.317 2.015 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCc1ccoc1 ZINC001345971700 980719764 /nfs/dbraw/zinc/71/97/64/980719764.db2.gz GDEPVOHTNRPNTJ-UHFFFAOYSA-N 0 1 234.255 2.101 20 0 BEADMN Cc1nc[nH]c1C(=O)OCc1coc(C(C)C)n1 ZINC001345996501 980726540 /nfs/dbraw/zinc/72/65/40/980726540.db2.gz JXUCXWLSSGJJER-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CCOc1ccccc1-c1cc2c(nn1)CNC2 ZINC001239557112 980738072 /nfs/dbraw/zinc/73/80/72/980738072.db2.gz CVAJTZNYRMBNNF-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN CCON(C(=O)c1cnc(C2CC2)[nH]1)C(C)C ZINC001346080958 980746942 /nfs/dbraw/zinc/74/69/42/980746942.db2.gz AHEPYLQNDAOZQA-UHFFFAOYSA-N 0 1 237.303 2.089 20 0 BEADMN Fc1ccc(-c2cc3c(nn2)CNC3)cc1F ZINC001239582473 980775146 /nfs/dbraw/zinc/77/51/46/980775146.db2.gz LKPLCJZISBOXTQ-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001595363727 980785764 /nfs/dbraw/zinc/78/57/64/980785764.db2.gz JYGKSBUKZWJVEU-RFQIPJPRSA-N 0 1 245.322 2.400 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1c(C)cccc1N ZINC001190138942 980849781 /nfs/dbraw/zinc/84/97/81/980849781.db2.gz TUUYKUQJEYQHOZ-UHFFFAOYSA-N 0 1 244.298 2.115 20 0 BEADMN c1cc2cc(-c3ncc4c(n3)CNC4)ccc2[nH]1 ZINC001239691974 980850962 /nfs/dbraw/zinc/85/09/62/980850962.db2.gz TTWUUTCPDRWJRV-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CC/C=C\COC(=O)[C@@H]1CCCN1C(C)C ZINC001346487972 980851344 /nfs/dbraw/zinc/85/13/44/980851344.db2.gz LGLDYKRUKUTXBU-FJOGCWAESA-N 0 1 225.332 2.369 20 0 BEADMN COC(C)(C)Cc1ccc2cncn2c1 ZINC001250354589 980852979 /nfs/dbraw/zinc/85/29/79/980852979.db2.gz DYLSCEURZSTFSG-UHFFFAOYSA-N 0 1 204.273 2.302 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cnc(C)cc1C ZINC001190132604 980854997 /nfs/dbraw/zinc/85/49/97/980854997.db2.gz UEHXGNCRQDKNCW-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1ccccc1-c1ncc2c(n1)CNC2 ZINC001239743399 980888699 /nfs/dbraw/zinc/88/86/99/980888699.db2.gz RKTGWUDCYODVTI-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN NC(=O)c1ccccc1-c1cccc2nc[nH]c21 ZINC001239762025 980901699 /nfs/dbraw/zinc/90/16/99/980901699.db2.gz HOQQKTWVRSIYNA-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN NC(=O)c1ccccc1-c1cccc2cncn21 ZINC001239762568 980901721 /nfs/dbraw/zinc/90/17/21/980901721.db2.gz SOROILYNIBRGOX-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN COc1ccc(C)cc1-c1cc2c(nn1)CNC2 ZINC001239766536 980905868 /nfs/dbraw/zinc/90/58/68/980905868.db2.gz ZWIPMXDQVYFYPV-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN c1ccc2ncc(-c3cc4c(nn3)CNC4)cc2c1 ZINC001239793856 980933695 /nfs/dbraw/zinc/93/36/95/980933695.db2.gz WDXUMSOSNIKBBH-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ccc(-c2ncnc3c2CNC3)cc1F ZINC001239817343 980960750 /nfs/dbraw/zinc/96/07/50/980960750.db2.gz DICYQVWJQIJZCA-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Nc1ccc(-c2cccc3nc[nH]c32)c(F)n1 ZINC001239821246 980963833 /nfs/dbraw/zinc/96/38/33/980963833.db2.gz VRDNKXADYARVIJ-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(-c2ccc3[nH]cnc3c2)c(F)n1 ZINC001239820963 980964271 /nfs/dbraw/zinc/96/42/71/980964271.db2.gz RAKPTOUQKKMJTM-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1ccc(CC(C)(C)NCc2cnon2)cc1 ZINC001347122709 980982004 /nfs/dbraw/zinc/98/20/04/980982004.db2.gz YVOPRCMJOBQEJC-UHFFFAOYSA-N 0 1 245.326 2.489 20 0 BEADMN COc1ncc(-c2cccc3nc(C)[nH]c32)cn1 ZINC001239847231 980986227 /nfs/dbraw/zinc/98/62/27/980986227.db2.gz FYODGVVDXDNDRE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[C@@H](O)[C@@H](C)N1CCc2c(Cl)cccc2C1 ZINC001191131450 980991619 /nfs/dbraw/zinc/99/16/19/980991619.db2.gz FYXXSXGVVJQFST-NXEZZACHSA-N 0 1 239.746 2.467 20 0 BEADMN c1nnc(CSCc2ccc3c(c2)COC3)[nH]1 ZINC001347256558 981022943 /nfs/dbraw/zinc/02/29/43/981022943.db2.gz GQLUWIASPWTWOZ-UHFFFAOYSA-N 0 1 247.323 2.268 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001595415824 981029946 /nfs/dbraw/zinc/02/99/46/981029946.db2.gz LJEKBNILZURKLB-MWLCHTKSSA-N 0 1 236.315 2.476 20 0 BEADMN Cc1ccc(F)c(-c2cc3c(nn2)CNC3)c1 ZINC001239962168 981060993 /nfs/dbraw/zinc/06/09/93/981060993.db2.gz FBJCBCBYHOXNPF-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CC(C)Oc1cccc(-c2cnc(CN)nc2)c1 ZINC001239967694 981068827 /nfs/dbraw/zinc/06/88/27/981068827.db2.gz GLYLFTVDXRUZKW-UHFFFAOYSA-N 0 1 243.310 2.390 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595458401 981131327 /nfs/dbraw/zinc/13/13/27/981131327.db2.gz FQEXVIHPDUAXBC-LLVKDONJSA-N 0 1 236.315 2.396 20 0 BEADMN CCCn1cc(-c2ccc(CN(C)C)cn2)cn1 ZINC001240130776 981131401 /nfs/dbraw/zinc/13/14/01/981131401.db2.gz ZMCJDFXYLFVWCF-UHFFFAOYSA-N 0 1 244.342 2.417 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595458402 981131684 /nfs/dbraw/zinc/13/16/84/981131684.db2.gz FQEXVIHPDUAXBC-NSHDSACASA-N 0 1 236.315 2.396 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001595459534 981139309 /nfs/dbraw/zinc/13/93/09/981139309.db2.gz ZTEILQXPNQRFEJ-SNVBAGLBSA-N 0 1 236.315 2.098 20 0 BEADMN CC1(C)C2CCC1(C(=O)NCc1cnc[nH]1)CC2 ZINC001347753044 981162080 /nfs/dbraw/zinc/16/20/80/981162080.db2.gz DLZDMZHMDSIQCW-UHFFFAOYSA-N 0 1 247.342 2.242 20 0 BEADMN Cc1cc(CN2CC(Cc3ccsc3)C2)n[nH]1 ZINC001347939338 981223406 /nfs/dbraw/zinc/22/34/06/981223406.db2.gz ISHPPUIHJPGRNE-UHFFFAOYSA-N 0 1 247.367 2.454 20 0 BEADMN Cc1ccc([C@H](C)Nc2nccnc2CN)s1 ZINC001347945157 981223885 /nfs/dbraw/zinc/22/38/85/981223885.db2.gz MDGCJASXXUHWPJ-VIFPVBQESA-N 0 1 248.355 2.478 20 0 BEADMN CC[C@@H](Cc1ccccc1)Nc1ccnc(N)n1 ZINC001347981768 981234952 /nfs/dbraw/zinc/23/49/52/981234952.db2.gz YZCPCADJOYJPPF-LBPRGKRZSA-N 0 1 242.326 2.492 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cccc(F)n2)[nH]n1 ZINC001348042841 981258759 /nfs/dbraw/zinc/25/87/59/981258759.db2.gz KHPAVVAEVWZMRR-MRVPVSSYSA-N 0 1 234.278 2.295 20 0 BEADMN Cc1nn(C)cc1-c1cc2nc[nH]c2cc1F ZINC001240303324 981270135 /nfs/dbraw/zinc/27/01/35/981270135.db2.gz DKAVRPQKCLMQOR-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Nc1nccc(NC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC001348224609 981312593 /nfs/dbraw/zinc/31/25/93/981312593.db2.gz JRMOTMHXAWYREK-VXGBXAGGSA-N 0 1 240.310 2.274 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595514928 981319222 /nfs/dbraw/zinc/31/92/22/981319222.db2.gz OJXKUYRNCFOPFN-RUULKOMLSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1cncnc1 ZINC001240375455 981327429 /nfs/dbraw/zinc/32/74/29/981327429.db2.gz LJSYSZTXLBRTEP-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1ccc(C2=CC[C@@H](N3CCOCC3)CC2)nc1 ZINC001250515243 981327847 /nfs/dbraw/zinc/32/78/47/981327847.db2.gz LVBYCWAPNSQWMX-CQSZACIVSA-N 0 1 244.338 2.350 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1cncnc1 ZINC001240377920 981331975 /nfs/dbraw/zinc/33/19/75/981331975.db2.gz YWIOQYIITIRSLA-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1c(-c2cccc3cncn32)cnn1C ZINC001240383567 981345444 /nfs/dbraw/zinc/34/54/44/981345444.db2.gz QIYXGRIBMXRXCE-UHFFFAOYSA-N 0 1 212.256 2.043 20 0 BEADMN CC(=O)c1cccc(NC[C@@H]2CCCCN2C)n1 ZINC001348378046 981347680 /nfs/dbraw/zinc/34/76/80/981347680.db2.gz HYTSMZBVFAERJT-LBPRGKRZSA-N 0 1 247.342 2.180 20 0 BEADMN CN(C)c1ccc2nc(-c3ccnn3C)[nH]c2c1 ZINC001250515957 981347877 /nfs/dbraw/zinc/34/78/77/981347877.db2.gz YIJWERSEWVOOOT-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CCCC1CC1 ZINC001193626410 981390590 /nfs/dbraw/zinc/39/05/90/981390590.db2.gz IYIONWNDJHMJJO-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H]1CCN(Cc2nnc(C)s2)[C@H]1C ZINC001193607019 981397939 /nfs/dbraw/zinc/39/79/39/981397939.db2.gz RVVVTMNZKAIMDR-WPRPVWTQSA-N 0 1 225.361 2.467 20 0 BEADMN CSCC[C@@H](C)OC(=O)c1[nH]cnc1C ZINC001348609456 981405281 /nfs/dbraw/zinc/40/52/81/981405281.db2.gz VJLXWCMTUFHGGK-SSDOTTSWSA-N 0 1 228.317 2.017 20 0 BEADMN CN(C)c1ccnc(-c2ccn3ccnc3c2)c1 ZINC001240496791 981419130 /nfs/dbraw/zinc/41/91/30/981419130.db2.gz TXJVJARMSRBESC-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(CC2CC2)c1 ZINC001240510693 981436202 /nfs/dbraw/zinc/43/62/02/981436202.db2.gz SUYHITZWDVOTSS-UHFFFAOYSA-N 0 1 228.299 2.246 20 0 BEADMN c1nn(CC2CC2)cc1-c1cccc2[nH]nnc21 ZINC001240513843 981439493 /nfs/dbraw/zinc/43/94/93/981439493.db2.gz HXNGCYONYDCRNJ-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1c[nH]nc1C ZINC001240521363 981452296 /nfs/dbraw/zinc/45/22/96/981452296.db2.gz NMZSRAGCTFFVLY-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN Nc1ccc(-c2cncc3nc[nH]c32)c(F)c1 ZINC001240527120 981466546 /nfs/dbraw/zinc/46/65/46/981466546.db2.gz TXAMEGVJNLPSPK-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN COC(=O)Nc1cnccc1N1CCCCC1 ZINC001193883264 981474232 /nfs/dbraw/zinc/47/42/32/981474232.db2.gz DBAXALYVYKSCQS-UHFFFAOYSA-N 0 1 235.287 2.250 20 0 BEADMN Cc1cnccc1-c1cccc2[nH]nnc21 ZINC001240609280 981504213 /nfs/dbraw/zinc/50/42/13/981504213.db2.gz DSRVAHIBBKKTLA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)c1C ZINC001349147219 981513475 /nfs/dbraw/zinc/51/34/75/981513475.db2.gz JBBJNPQRQNYFPC-SMDDNHRTSA-N 0 1 249.358 2.325 20 0 BEADMN Fc1cccc(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001203785007 981522058 /nfs/dbraw/zinc/52/20/58/981522058.db2.gz HNXGWODTGBSYRY-OCCSQVGLSA-N 0 1 235.302 2.437 20 0 BEADMN CCn1cc(-c2cc3nc[nH]c3cc2OC)cn1 ZINC001240650708 981557333 /nfs/dbraw/zinc/55/73/33/981557333.db2.gz IOFSXJVEJASOIL-UHFFFAOYSA-N 0 1 242.282 2.455 20 0 BEADMN C[C@H](NCc1csnn1)C1CC(F)(F)C1 ZINC001349632154 981600941 /nfs/dbraw/zinc/60/09/41/981600941.db2.gz GWAUYFAMFPPOKV-LURJTMIESA-N 0 1 233.287 2.062 20 0 BEADMN Oc1ccc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001240696392 981607093 /nfs/dbraw/zinc/60/70/93/981607093.db2.gz BXILUIYRFDVTHU-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1ccc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001240696392 981607099 /nfs/dbraw/zinc/60/70/99/981607099.db2.gz BXILUIYRFDVTHU-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN c1cc2c(cccc2-c2ncnc3c2CNC3)[nH]1 ZINC001240709419 981676336 /nfs/dbraw/zinc/67/63/36/981676336.db2.gz SRYFCSGUHGVDIP-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN NCc1ncc(-c2cccc3[nH]ccc32)cn1 ZINC001240713381 981701694 /nfs/dbraw/zinc/70/16/94/981701694.db2.gz QEVCPRONVXOKDW-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN Cc1cc(-c2nccc3[nH]cnc32)ccn1 ZINC001240714425 981709497 /nfs/dbraw/zinc/70/94/97/981709497.db2.gz CANMTRLTLDJDEA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cc(-c2[nH]ccc3ncnc2-3)ccn1 ZINC001240714425 981709532 /nfs/dbraw/zinc/70/95/32/981709532.db2.gz CANMTRLTLDJDEA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@@H]1C[C@@H]1F ZINC001349846830 981788893 /nfs/dbraw/zinc/78/88/93/981788893.db2.gz NPJIZELNSXIKPB-XINAWCOVSA-N 0 1 247.628 2.481 20 0 BEADMN CCN1CCN(C(=O)OCC(C)(C)C)[C@H](C)C1 ZINC001194383254 981789051 /nfs/dbraw/zinc/78/90/51/981789051.db2.gz FQOXJGCABQCSIV-LLVKDONJSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1ccc(OC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC001194473396 981813083 /nfs/dbraw/zinc/81/30/83/981813083.db2.gz UBGPLSJJYKLXFU-LBPRGKRZSA-N 0 1 248.326 2.178 20 0 BEADMN Cc1c[nH+]c(-c2ccc([O-])c(F)c2)cc1N ZINC001240782812 981823030 /nfs/dbraw/zinc/82/30/30/981823030.db2.gz KLBQSMJSELTXFB-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN c1cc2ccc(-c3ncnc4c3CNC4)cc2[nH]1 ZINC001240796225 981838783 /nfs/dbraw/zinc/83/87/83/981838783.db2.gz RYDOTBJTRIQULA-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595631558 981839908 /nfs/dbraw/zinc/83/99/08/981839908.db2.gz UQFGGODNXSHRHA-LPEHRKFASA-N 0 1 249.301 2.463 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H]2CC23CCC3)n[nH]1 ZINC001350051060 981854457 /nfs/dbraw/zinc/85/44/57/981854457.db2.gz BQQHYDXHKGRTAU-IUCAKERBSA-N 0 1 249.314 2.162 20 0 BEADMN CN(C(=O)c1cnc(C(F)(F)F)[nH]1)C(C)(C)C ZINC001194778130 981873031 /nfs/dbraw/zinc/87/30/31/981873031.db2.gz LCJBSPAYZMXLQD-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN O=C(NCCCC1CC1)c1cccc(F)c1O ZINC001584940087 981893667 /nfs/dbraw/zinc/89/36/67/981893667.db2.gz NRJANSMANZGIGK-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN CC[C@@H](C)COC(=O)N1CCN(CC)[C@H](C)C1 ZINC001194800041 981903376 /nfs/dbraw/zinc/90/33/76/981903376.db2.gz DGBOAZWQDVEVTN-VXGBXAGGSA-N 0 1 242.363 2.195 20 0 BEADMN CN(C)c1ncccc1CN1CCC(F)CC1 ZINC001350329951 981928615 /nfs/dbraw/zinc/92/86/15/981928615.db2.gz PKKUWVYTZXOSTM-UHFFFAOYSA-N 0 1 237.322 2.082 20 0 BEADMN Cc1ccccc1C(C)(C)NCc1nnc[nH]1 ZINC001350378503 981952565 /nfs/dbraw/zinc/95/25/65/981952565.db2.gz XOPQSILIYACUJZ-UHFFFAOYSA-N 0 1 230.315 2.138 20 0 BEADMN c1ncn2cc(-c3cnn4cccnc34)ccc12 ZINC001240927035 982000870 /nfs/dbraw/zinc/00/08/70/982000870.db2.gz BZSURDLDXMCKEQ-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCN(C(=O)CCc1cc(C)[nH]n1)C1CCC1 ZINC001586636124 982005030 /nfs/dbraw/zinc/00/50/30/982005030.db2.gz AVZJKGHDJLWAAO-UHFFFAOYSA-N 0 1 235.331 2.052 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cccc3[nH]cnc32)C1 ZINC001586741378 982015694 /nfs/dbraw/zinc/01/56/94/982015694.db2.gz AFBAPDZBCBKBKI-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@H](C)OC(=O)Nc1ncc(F)cc1O ZINC001195085622 982068123 /nfs/dbraw/zinc/06/81/23/982068123.db2.gz HGORDXQQLIVXIJ-LURJTMIESA-N 0 1 228.223 2.273 20 0 BEADMN Cc1cc(CCC(=O)N(C)[C@H](C)C2(C)CC2)n[nH]1 ZINC001587624818 982084542 /nfs/dbraw/zinc/08/45/42/982084542.db2.gz HCAPWUFIAARVIK-LLVKDONJSA-N 0 1 249.358 2.298 20 0 BEADMN Cn1ccc2cnc(-c3ccccc3O)nc21 ZINC001241001967 982085708 /nfs/dbraw/zinc/08/57/08/982085708.db2.gz NLVHGJULTGSMJA-UHFFFAOYSA-N 0 1 225.251 2.341 20 0 BEADMN CON(C(=O)c1cc(C(C)(C)C)n[nH]1)C(C)C ZINC001350927188 982125050 /nfs/dbraw/zinc/12/50/50/982125050.db2.gz SMLJKKMAWHQYLH-UHFFFAOYSA-N 0 1 239.319 2.119 20 0 BEADMN COc1cc(-c2ncc3c(n2)CNC3)ccc1C ZINC001241032362 982131465 /nfs/dbraw/zinc/13/14/65/982131465.db2.gz GPRDQYSZQCXIDZ-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H]1C ZINC001594876131 982212039 /nfs/dbraw/zinc/21/20/39/982212039.db2.gz KFPCBVMUIBWFSN-LNFKQOIKSA-N 0 1 213.321 2.216 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC001594878871 982227264 /nfs/dbraw/zinc/22/72/64/982227264.db2.gz YQZLEOMTIVPICT-NXEZZACHSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1ccc[nH]c1=O ZINC001241119301 982240552 /nfs/dbraw/zinc/24/05/52/982240552.db2.gz OHXRSMCSQMEVIK-UHFFFAOYSA-N 0 1 226.239 2.034 20 0 BEADMN [NH3+]Cc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241120556 982244639 /nfs/dbraw/zinc/24/46/39/982244639.db2.gz ABUWBMADSXAWLF-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN C(=CC1CC1)CN[C@H]1CCCc2c[nH]nc21 ZINC001351283182 982264499 /nfs/dbraw/zinc/26/44/99/982264499.db2.gz HPFYXKFQWJLNMW-DLGQBQFBSA-N 0 1 217.316 2.343 20 0 BEADMN Cc1ccc(C)c(-c2ncc3c(n2)CNC3)c1 ZINC001241190220 982336215 /nfs/dbraw/zinc/33/62/15/982336215.db2.gz YRTBXNNQAULGHI-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCS[C@H](C)c1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 ZINC001351679938 982358853 /nfs/dbraw/zinc/35/88/53/982358853.db2.gz RIZPJVKOWUSSLP-RYPBNFRJSA-N 0 1 239.344 2.164 20 0 BEADMN Fc1cnccc1-c1cccc2[nH]nnc21 ZINC001241226748 982373010 /nfs/dbraw/zinc/37/30/10/982373010.db2.gz NSZZBUPEEPHPFY-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN CCOc1ccc(-c2cnc(CN)nc2)c(F)c1 ZINC001241275842 982406096 /nfs/dbraw/zinc/40/60/96/982406096.db2.gz FZCZDGHBRADZQH-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN COc1ccc(C)nc1C1=CCN(C)CC1 ZINC001241307640 982443788 /nfs/dbraw/zinc/44/37/88/982443788.db2.gz DGGKHXPTVQPHKL-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CC(C)(C)SCCC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC001588738191 982444291 /nfs/dbraw/zinc/44/42/91/982444291.db2.gz CZTZVVYOVUZEMS-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CCCNc1ccnc(C2=CCN(C)CC2)n1 ZINC001241308851 982451963 /nfs/dbraw/zinc/45/19/63/982451963.db2.gz URNQAYLHAORABQ-UHFFFAOYSA-N 0 1 232.331 2.017 20 0 BEADMN CN1CC=C(c2nccc(C(F)F)n2)CC1 ZINC001241310532 982455566 /nfs/dbraw/zinc/45/55/66/982455566.db2.gz GMOMRWRWDBYKCW-UHFFFAOYSA-N 0 1 225.242 2.133 20 0 BEADMN CN1CC=C(c2ncccc2[Si](C)(C)C)CC1 ZINC001241310513 982456234 /nfs/dbraw/zinc/45/62/34/982456234.db2.gz FTDPCLCJCGOZGZ-UHFFFAOYSA-N 0 1 246.430 2.346 20 0 BEADMN Cc1nc2c(c(C3=CCN(C)CC3)n1)CCCC2 ZINC001241311258 982457567 /nfs/dbraw/zinc/45/75/67/982457567.db2.gz SCUPVCOBTNHZBH-UHFFFAOYSA-N 0 1 243.354 2.383 20 0 BEADMN CSc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001241312761 982462278 /nfs/dbraw/zinc/46/22/78/982462278.db2.gz FEBOOJPOOOBCRB-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN CN1CC=C(c2cc(C3CC3)ncn2)CC1 ZINC001241312905 982463037 /nfs/dbraw/zinc/46/30/37/982463037.db2.gz PCGBKWPVBFQFFP-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CCCc1nccnc1C1=CCN(C)CC1 ZINC001241317346 982467056 /nfs/dbraw/zinc/46/70/56/982467056.db2.gz MMYOBAYHBGGVOP-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN Cc1cc(F)nc(C2=CC[N@@H+](C)CC2)c1 ZINC001241322206 982481001 /nfs/dbraw/zinc/48/10/01/982481001.db2.gz KAGPBLASQWJWPZ-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCOc1cc(F)ccc1-c1cnc(CN)nc1 ZINC001241320491 982481954 /nfs/dbraw/zinc/48/19/54/982481954.db2.gz QIQSVNQGZKOASP-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN CN1CC=C(c2cncnc2C(F)(F)F)CC1 ZINC001241322280 982484253 /nfs/dbraw/zinc/48/42/53/982484253.db2.gz KXNJVQNYBSGEEW-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN Cc1c(F)cncc1C1=CCN(C)CC1 ZINC001241330290 982493616 /nfs/dbraw/zinc/49/36/16/982493616.db2.gz ORDNDEPDGOYOST-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CC[C@@H](C)CN(CC)CC(=O)OC(C)C ZINC000080848247 982508569 /nfs/dbraw/zinc/50/85/69/982508569.db2.gz YNAQRJRJTYFINO-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN COc1ncc(C)cc1-c1ccc2nn[nH]c2c1 ZINC001241364037 982522141 /nfs/dbraw/zinc/52/21/41/982522141.db2.gz QDWXBRJSKBILDB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(C)cc1-c1ccc2[nH]nnc2c1 ZINC001241364037 982522152 /nfs/dbraw/zinc/52/21/52/982522152.db2.gz QDWXBRJSKBILDB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2cccc3[nH]nnc32)s1 ZINC001241413647 982561393 /nfs/dbraw/zinc/56/13/93/982561393.db2.gz BAGAJFASBSLMNW-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN COc1ncc(-c2cccc3cncn32)s1 ZINC001241414545 982563441 /nfs/dbraw/zinc/56/34/41/982563441.db2.gz VQVUCLNHOCAGAD-UHFFFAOYSA-N 0 1 231.280 2.466 20 0 BEADMN CC(C)N1CC(Nc2nccc3cccnc32)C1 ZINC000716834646 982570487 /nfs/dbraw/zinc/57/04/87/982570487.db2.gz MBZCDKURSMNSNJ-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN C[C@@H](NCc1csnn1)C1CCSCC1 ZINC001352874699 982614148 /nfs/dbraw/zinc/61/41/48/982614148.db2.gz AXTVMKPPWROWDB-MRVPVSSYSA-N 0 1 243.401 2.159 20 0 BEADMN CC[C@H](C)C[N@@H+](C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594961224 982715038 /nfs/dbraw/zinc/71/50/38/982715038.db2.gz YWJYCYMNNBJHFV-ONGXEEELSA-N 0 1 241.331 2.112 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594964068 982716555 /nfs/dbraw/zinc/71/65/55/982716555.db2.gz COJDSUIGFLNWQV-OUAUKWLOSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1nc2cncc(-c3ncccc3F)c2[nH]1 ZINC001241540341 982719644 /nfs/dbraw/zinc/71/96/44/982719644.db2.gz MQDFHFRIELOOIM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nnc([C@H](C)N[C@H](C)C2(C)CC2)o1 ZINC001198398656 982720489 /nfs/dbraw/zinc/72/04/89/982720489.db2.gz ZLFQOTASMUPWNH-JGVFFNPUSA-N 0 1 209.293 2.217 20 0 BEADMN CC(C)C[C@H](C)CC(=O)NCc1cc(N)ccn1 ZINC001353160892 982735888 /nfs/dbraw/zinc/73/58/88/982735888.db2.gz FVTZKWDMVRALQI-NSHDSACASA-N 0 1 249.358 2.352 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC(=O)CC(C)C)CC(=O)[O-] ZINC001594983903 982791357 /nfs/dbraw/zinc/79/13/57/982791357.db2.gz SXUXACDNNZTATP-LLVKDONJSA-N 0 1 243.347 2.177 20 0 BEADMN COc1nscc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001198605003 982792415 /nfs/dbraw/zinc/79/24/15/982792415.db2.gz WTKMLTVRBUTKEC-AOOOYVTPSA-N 0 1 238.356 2.384 20 0 BEADMN C=CS(=O)(=O)Nc1scnc1C(C)C ZINC001198579634 982801938 /nfs/dbraw/zinc/80/19/38/982801938.db2.gz ZMDNRBJAGUOGIR-UHFFFAOYSA-N 0 1 232.330 2.152 20 0 BEADMN CCc1cc(C2=CCCN(C)C2)nc(C)n1 ZINC001241567401 982813397 /nfs/dbraw/zinc/81/33/97/982813397.db2.gz ZTWWOCWKVFYONI-UHFFFAOYSA-N 0 1 217.316 2.066 20 0 BEADMN CCCc1nccnc1C1=CCCN(C)C1 ZINC001241568527 982815694 /nfs/dbraw/zinc/81/56/94/982815694.db2.gz FWSYXYRUVFOQRI-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN COC(=O)c1ccc(C2=CCCN(C)C2)c(F)c1 ZINC001241569366 982816857 /nfs/dbraw/zinc/81/68/57/982816857.db2.gz WDJNHDHVEJQXGN-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN COC(=O)c1ccc(F)c(C2=CCCN(C)C2)c1 ZINC001241568587 982817903 /nfs/dbraw/zinc/81/79/03/982817903.db2.gz JBSBKCLDBMDPFJ-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN COC(=O)c1cc(F)cc(C2=CCCN(C)C2)c1 ZINC001241570089 982821139 /nfs/dbraw/zinc/82/11/39/982821139.db2.gz CQOBDMATMAGZJD-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN COc1nccc(C2=CCCN(C)C2)c1C ZINC001241569995 982821506 /nfs/dbraw/zinc/82/15/06/982821506.db2.gz ACBBDTBBSGCANI-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN Cc1ncc(F)cc1C1=CCCN(C)C1 ZINC001241570790 982823475 /nfs/dbraw/zinc/82/34/75/982823475.db2.gz MSXWXWWCZUPCNU-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CCC(=O)Nc1cc(C2=CCCN(C)C2)ccn1 ZINC001241572515 982826545 /nfs/dbraw/zinc/82/65/45/982826545.db2.gz ZQICGIIVULLKKF-UHFFFAOYSA-N 0 1 245.326 2.149 20 0 BEADMN CCCCOCC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589653226 982859632 /nfs/dbraw/zinc/85/96/32/982859632.db2.gz ZJTVKZDJHBQLJL-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1[nH]nc2cc(-c3ccc(=O)n(C)c3)ccc12 ZINC001241637926 982874805 /nfs/dbraw/zinc/87/48/05/982874805.db2.gz FJONYOJUEQWGCV-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CC[N@@H+](CCCCOC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001589730719 982875906 /nfs/dbraw/zinc/87/59/06/982875906.db2.gz SFSIJDMLKOSGCK-LLVKDONJSA-N 0 1 245.363 2.377 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1cnc(N)nc1C ZINC001241644516 982882121 /nfs/dbraw/zinc/88/21/21/982882121.db2.gz MTLQSTLBBGEHQO-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN COc1cnc(-c2ccc3n[nH]c(C)c3c2)cn1 ZINC001241666847 982902656 /nfs/dbraw/zinc/90/26/56/982902656.db2.gz NQSYXNGGJLAWEO-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(C)c(-c2ccc3[nH]cnc3c2)nn1 ZINC001241687798 982938436 /nfs/dbraw/zinc/93/84/36/982938436.db2.gz ALFCHUCWYNCICZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(C)nc1-c1ccc2[nH]cnc2c1 ZINC001241688180 982941334 /nfs/dbraw/zinc/94/13/34/982941334.db2.gz LHLLTVJXAKITDE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(-c2ccc3nc[nH]c3c2)c1N ZINC001241690965 982944638 /nfs/dbraw/zinc/94/46/38/982944638.db2.gz GITOBFPRSGEREH-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Nc1cnccc1-c1ccc2nc[nH]c2c1 ZINC001241691068 982945120 /nfs/dbraw/zinc/94/51/20/982945120.db2.gz IDKQUTCDPIVRGY-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1cscc1-c1nc(F)nc2nc[nH]c21 ZINC001241726756 983014173 /nfs/dbraw/zinc/01/41/73/983014173.db2.gz KEASZSFPWOBSRA-UHFFFAOYSA-N 0 1 234.259 2.481 20 0 BEADMN C[C@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001251969318 983051630 /nfs/dbraw/zinc/05/16/30/983051630.db2.gz YGRZAVLHRFYUGL-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN C[C@H](NC(=O)c1cccc(F)c1O)C1(C)CC1 ZINC001353888130 983053757 /nfs/dbraw/zinc/05/37/57/983053757.db2.gz LYILSFYUYPFPLL-QMMMGPOBSA-N 0 1 237.274 2.450 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]1C(C)(C)C ZINC001353979574 983106527 /nfs/dbraw/zinc/10/65/27/983106527.db2.gz VPEATUXGFXNESD-CMPLNLGQSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]1C(C)(C)C ZINC001353979578 983107633 /nfs/dbraw/zinc/10/76/33/983107633.db2.gz VPEATUXGFXNESD-PWSUYJOCSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1nc2c(cncc2-c2cnn(C3CC3)c2)[nH]1 ZINC001241909352 983123309 /nfs/dbraw/zinc/12/33/09/983123309.db2.gz IATPQDMTHLWKCE-UHFFFAOYSA-N 0 1 239.282 2.465 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnn(C4CC4)c3)c-2n1 ZINC001241909352 983123314 /nfs/dbraw/zinc/12/33/14/983123314.db2.gz IATPQDMTHLWKCE-UHFFFAOYSA-N 0 1 239.282 2.465 20 0 BEADMN COc1cnc(-c2ccc3[nH]nnc3c2)c(C)c1 ZINC001241938909 983151617 /nfs/dbraw/zinc/15/16/17/983151617.db2.gz WYBSPVQNAVIEJD-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(-c2ccc3nn[nH]c3c2)c(C)c1 ZINC001241938909 983151624 /nfs/dbraw/zinc/15/16/24/983151624.db2.gz WYBSPVQNAVIEJD-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cnc(-c2ccc3nn[nH]c3c2)c(C)n1 ZINC001241938819 983151965 /nfs/dbraw/zinc/15/19/65/983151965.db2.gz UZRRKBMYTYTKKO-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN COc1cccc(-c2ccc3nn[nH]c3c2)n1 ZINC001241938158 983152480 /nfs/dbraw/zinc/15/24/80/983152480.db2.gz FYQXGFGIKKFPQD-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241938158 983152487 /nfs/dbraw/zinc/15/24/87/983152487.db2.gz FYQXGFGIKKFPQD-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Fc1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001241941126 983155751 /nfs/dbraw/zinc/15/57/51/983155751.db2.gz DJKHTVVVDYKNJW-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001241941126 983155757 /nfs/dbraw/zinc/15/57/57/983155757.db2.gz DJKHTVVVDYKNJW-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN c1nc2cc(-c3ccc4[nH]nnc4c3)cnc2o1 ZINC001241940258 983155896 /nfs/dbraw/zinc/15/58/96/983155896.db2.gz AMTSEJHQSJCBKP-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1nc2cc(-c3ccc4nn[nH]c4c3)cnc2o1 ZINC001241940258 983155899 /nfs/dbraw/zinc/15/58/99/983155899.db2.gz AMTSEJHQSJCBKP-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN Nc1ccccc1-c1ccc2[nH]nnc2c1 ZINC001241942105 983158761 /nfs/dbraw/zinc/15/87/61/983158761.db2.gz KHHJHHNMASQECA-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1ccccc1-c1ccc2nn[nH]c2c1 ZINC001241942105 983158769 /nfs/dbraw/zinc/15/87/69/983158769.db2.gz KHHJHHNMASQECA-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1nccnc1NC1=CCSCC1 ZINC001201326034 983184021 /nfs/dbraw/zinc/18/40/21/983184021.db2.gz BPBYTZGTWRSNCF-UHFFFAOYSA-N 0 1 207.302 2.218 20 0 BEADMN Cc1cnc(NC2=CCSCC2)cn1 ZINC001201327319 983186924 /nfs/dbraw/zinc/18/69/24/983186924.db2.gz SHMWXCULPVPDHD-UHFFFAOYSA-N 0 1 207.302 2.218 20 0 BEADMN C[C@H](Nc1nccnc1CN)[C@@]12C[C@@H]1CCCC2 ZINC001354246916 983223294 /nfs/dbraw/zinc/22/32/94/983223294.db2.gz LVZJJDPVJIKIOQ-COPLHBTASA-N 0 1 246.358 2.316 20 0 BEADMN Nc1nccc(NCC[C@H]2CCCC2(F)F)n1 ZINC001354258036 983230691 /nfs/dbraw/zinc/23/06/91/983230691.db2.gz VLMXLRYQNXVHKA-MRVPVSSYSA-N 0 1 242.273 2.296 20 0 BEADMN Cc1ccc(-c2ncc3c(n2)CNC3)c(F)c1F ZINC001242028254 983242409 /nfs/dbraw/zinc/24/24/09/983242409.db2.gz IEQOTPCNTCYGCU-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CCOCc1noc2c1C[N@@H+](CC(C)C)CC2 ZINC001201470595 983249942 /nfs/dbraw/zinc/24/99/42/983249942.db2.gz DPIDVGQYAHULGN-UHFFFAOYSA-N 0 1 238.331 2.225 20 0 BEADMN CCOCc1noc2c1CN(CC(C)C)CC2 ZINC001201470595 983249952 /nfs/dbraw/zinc/24/99/52/983249952.db2.gz DPIDVGQYAHULGN-UHFFFAOYSA-N 0 1 238.331 2.225 20 0 BEADMN c1cc(-c2cc(N3CCCC3)ccn2)cnn1 ZINC001242045856 983252035 /nfs/dbraw/zinc/25/20/35/983252035.db2.gz HHDHSGOFNAERAI-UHFFFAOYSA-N 0 1 226.283 2.139 20 0 BEADMN Cc1cc(-c2ccnnc2)cc2nc[nH]c21 ZINC001242051503 983259080 /nfs/dbraw/zinc/25/90/80/983259080.db2.gz JTJAEDLHEVQNBD-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccncc1-c1ccc(CN(C)C)cn1 ZINC001242055247 983259489 /nfs/dbraw/zinc/25/94/89/983259489.db2.gz AIBAVTSFVFXXMT-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN CCC[C@@H](C)CN(C)Cc1ncccn1 ZINC001201539239 983298635 /nfs/dbraw/zinc/29/86/35/983298635.db2.gz SWMDYBAMKGRKDY-LLVKDONJSA-N 0 1 207.321 2.345 20 0 BEADMN CCC[C@H](C)CN(C)Cc1ncccn1 ZINC001201539240 983300370 /nfs/dbraw/zinc/30/03/70/983300370.db2.gz SWMDYBAMKGRKDY-NSHDSACASA-N 0 1 207.321 2.345 20 0 BEADMN CC(C)Oc1cncc(Nc2cncn2C)c1 ZINC001201543013 983302701 /nfs/dbraw/zinc/30/27/01/983302701.db2.gz YWEYOUFTADKIJU-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN CCC[C@@H](C)CN1CCc2c(ncnc2OC)C1 ZINC001201550848 983302991 /nfs/dbraw/zinc/30/29/91/983302991.db2.gz NRPCOEBRMPGXBK-LLVKDONJSA-N 0 1 249.358 2.280 20 0 BEADMN CCOC(=O)/C=C\CN[C@@H](C)c1cnccc1C ZINC001354582670 983323545 /nfs/dbraw/zinc/32/35/45/983323545.db2.gz BQGNZCKRNVWATG-FJOGCWAESA-N 0 1 248.326 2.160 20 0 BEADMN Cc1cc(N)[nH+]cc1-c1ccccc1C(=O)[O-] ZINC001242084276 983331283 /nfs/dbraw/zinc/33/12/83/983331283.db2.gz ORXNZJBVOXSSKL-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN c1ccc(CCN2CCCCC23COC3)cc1 ZINC001201603671 983371400 /nfs/dbraw/zinc/37/14/00/983371400.db2.gz LZUYOXYGEWPDCC-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN CCOC(=O)[C@@]12C[C@@H]1CCN2CCC(C)C ZINC001201615453 983377525 /nfs/dbraw/zinc/37/75/25/983377525.db2.gz WBRSPBHOXYHUII-WCQYABFASA-N 0 1 225.332 2.060 20 0 BEADMN CO[C@H]1CN(CCCc2ccccc2)C[C@@H]1F ZINC001201652670 983404161 /nfs/dbraw/zinc/40/41/61/983404161.db2.gz BHEPICFKHZIOST-KBPBESRZSA-N 0 1 237.318 2.288 20 0 BEADMN c1ccc(CCCN2C[C@@H]3C[C@H]2CO3)cc1 ZINC001201663956 983408653 /nfs/dbraw/zinc/40/86/53/983408653.db2.gz PXFDKQLMXZKRIN-KBPBESRZSA-N 0 1 217.312 2.092 20 0 BEADMN CCn1cncc1CN[C@H](C)c1cnccc1C ZINC001201657127 983409157 /nfs/dbraw/zinc/40/91/57/983409157.db2.gz VXHBKIZRBMVTEO-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN O=C1Cc2cc(-c3ccc(F)cc3O)ncc2N1 ZINC001242215623 983412218 /nfs/dbraw/zinc/41/22/18/983412218.db2.gz BXXRWOQZBXTRQH-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN Cn1cnc2ccc(-c3ccc(F)cc3O)nc21 ZINC001242215960 983413380 /nfs/dbraw/zinc/41/33/80/983413380.db2.gz LAMBKUVNOMYCEU-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1cccc(CC(=O)[O-])c1 ZINC001242264436 983488510 /nfs/dbraw/zinc/48/85/10/983488510.db2.gz LURVCXHZGCHDHN-UHFFFAOYSA-N 0 1 242.278 2.266 20 0 BEADMN CC(C)c1cnc(CSCc2nnc[nH]2)o1 ZINC001356049752 983558252 /nfs/dbraw/zinc/55/82/52/983558252.db2.gz NSBLMOPYYUKEKZ-UHFFFAOYSA-N 0 1 238.316 2.350 20 0 BEADMN Oc1c(F)cccc1-c1ccc2nc[nH]c2n1 ZINC001242347795 983607797 /nfs/dbraw/zinc/60/77/97/983607797.db2.gz ASJRQGMPYITCGC-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1c(F)cccc1-c1cc2c(nn1)CCOC2 ZINC001242349989 983614381 /nfs/dbraw/zinc/61/43/81/983614381.db2.gz BNQBXKAWRJWJSD-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN NC(=S)c1ccnc(-c2cccc(F)c2O)c1 ZINC001242350590 983614855 /nfs/dbraw/zinc/61/48/55/983614855.db2.gz QYJSYNDHBJWHPZ-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN COc1ncnc(-c2cccc(F)c2O)c1C ZINC001242349754 983616567 /nfs/dbraw/zinc/61/65/67/983616567.db2.gz QQNLJMRUCNZQCY-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN CN(C)c1nccnc1-c1cccc(F)c1O ZINC001242349838 983616959 /nfs/dbraw/zinc/61/69/59/983616959.db2.gz VFBJWTKDLGYKEY-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN CCOc1nccc(-c2cccc(F)c2O)n1 ZINC001242349592 983617452 /nfs/dbraw/zinc/61/74/52/983617452.db2.gz NZTDCBAOOOWXRG-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Cn1cnc2cnc(-c3cccc(F)c3O)cc21 ZINC001242349898 983619309 /nfs/dbraw/zinc/61/93/09/983619309.db2.gz XSQRIHBZVQPLQV-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Oc1c(F)cccc1-c1cc2c(nn1)CCC2 ZINC001242350103 983619674 /nfs/dbraw/zinc/61/96/74/983619674.db2.gz HUVUQRSDKHPJRN-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN FC(F)(F)CCN1CCC[C@]2(CCO2)C1 ZINC001202345991 983628611 /nfs/dbraw/zinc/62/86/11/983628611.db2.gz HTKSUKFKYUWWFQ-VIFPVBQESA-N 0 1 223.238 2.194 20 0 BEADMN CC[N@@H+](CCCC(F)(F)F)C1COC1 ZINC001202424154 983652417 /nfs/dbraw/zinc/65/24/17/983652417.db2.gz DTZHVPZRVSTOPY-UHFFFAOYSA-N 0 1 211.227 2.050 20 0 BEADMN CCN(CCCC(F)(F)F)[C@@H](C)C(=O)OC ZINC001202445406 983662875 /nfs/dbraw/zinc/66/28/75/983662875.db2.gz ZBEIJNXOTGNMRU-QMMMGPOBSA-N 0 1 241.253 2.212 20 0 BEADMN c1cc2ccncc2c(-c2cc3c(nn2)CNC3)c1 ZINC001242369558 983663144 /nfs/dbraw/zinc/66/31/44/983663144.db2.gz ORLXWKTZCCBIAC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN c1cc2ccncc2c(-c2ncc3c(n2)CNC3)c1 ZINC001242369324 983663942 /nfs/dbraw/zinc/66/39/42/983663942.db2.gz YJXOFHZLNJTNGA-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ncc(-c2ccc(CN(C)C)cn2)cc1N ZINC001242406642 983701195 /nfs/dbraw/zinc/70/11/95/983701195.db2.gz JHRJCEFUNSWBDF-UHFFFAOYSA-N 0 1 242.326 2.096 20 0 BEADMN CCCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001490523579 983731942 /nfs/dbraw/zinc/73/19/42/983731942.db2.gz TUZMUFAHYYTOCO-NWDGAFQWSA-N 0 1 244.354 2.115 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccc2[nH]cnc2c1 ZINC001137049958 983748295 /nfs/dbraw/zinc/74/82/95/983748295.db2.gz JFXNNPUXPUFGIV-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccc2nc[nH]c2c1 ZINC001137049958 983748303 /nfs/dbraw/zinc/74/83/03/983748303.db2.gz JFXNNPUXPUFGIV-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN CC[N@@H+](CCC1CC1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001596320627 983751136 /nfs/dbraw/zinc/75/11/36/983751136.db2.gz FOLGJGUSNRMSPR-CYBMUJFWSA-N 0 1 248.326 2.329 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC001596320940 983752353 /nfs/dbraw/zinc/75/23/53/983752353.db2.gz UZGIDNBIPAYLCD-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CN(C)/C=C/c1ccncc1-c1ccn(C)n1 ZINC001242461283 983784930 /nfs/dbraw/zinc/78/49/30/983784930.db2.gz BWMIIWWQWRZMMQ-VMPITWQZSA-N 0 1 228.299 2.014 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC23CCCC3)n1 ZINC001252474371 983793253 /nfs/dbraw/zinc/79/32/53/983793253.db2.gz PDJWDZTZZJLKSR-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC001252474371 983793256 /nfs/dbraw/zinc/79/32/56/983793256.db2.gz PDJWDZTZZJLKSR-VIFPVBQESA-N 0 1 248.330 2.447 20 0 BEADMN Nc1ccnc(CNC(=O)C[C@H]2CC=CCC2)c1 ZINC001358052237 983822177 /nfs/dbraw/zinc/82/21/77/983822177.db2.gz RCJXQTWWCDWQCF-NSHDSACASA-N 0 1 245.326 2.026 20 0 BEADMN Fc1cccc([C@@H]2CCN(CC3=NOCC3)C2)c1 ZINC001473431432 983885869 /nfs/dbraw/zinc/88/58/69/983885869.db2.gz DYTWCNLQGIKCAA-GFCCVEGCSA-N 0 1 248.301 2.391 20 0 BEADMN c1cc2cc(CCNCc3ccon3)ccc2[nH]1 ZINC001474123166 983898533 /nfs/dbraw/zinc/89/85/33/983898533.db2.gz LIORQAVPGBXSKT-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN CC(C)n1cc(CN2CC[C@]3(CCCO3)C2)cn1 ZINC001137073222 983904735 /nfs/dbraw/zinc/90/47/35/983904735.db2.gz VBWBCXZHXYTJDS-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC001137080414 983918442 /nfs/dbraw/zinc/91/84/42/983918442.db2.gz HAPPDDAQJGCYDO-AWEZNQCLSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cn1 ZINC001137080740 983919689 /nfs/dbraw/zinc/91/96/89/983919689.db2.gz REZGBBSLQJWFHO-AVGNSLFASA-N 0 1 237.322 2.396 20 0 BEADMN Cc1ccc2[nH]c(NCc3ncc[nH]3)nc2c1 ZINC001560569735 983942243 /nfs/dbraw/zinc/94/22/43/983942243.db2.gz FXMDDDWNVLJBLS-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN CC(=O)c1cc(-c2cc3[nH]cnc3cn2)ccn1 ZINC001242608352 983969485 /nfs/dbraw/zinc/96/94/85/983969485.db2.gz LNZBRZBDBOSNCI-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN O=c1[nH]cc(-c2ccc3nc[nH]c3c2)cc1F ZINC001242614734 983992511 /nfs/dbraw/zinc/99/25/11/983992511.db2.gz LNUBZLFEYMHBGM-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cncc(NC(=O)c2cccc(F)c2O)c1 ZINC001361215253 984003320 /nfs/dbraw/zinc/00/33/20/984003320.db2.gz AYOJIFQWGFDSEG-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1cc(C[C@H](C)Nc2cccc(=O)[nH]2)on1 ZINC001212786332 984010943 /nfs/dbraw/zinc/01/09/43/984010943.db2.gz PNLSVUPTIORSLO-QMMMGPOBSA-N 0 1 233.271 2.127 20 0 BEADMN CCOc1cncc(-c2cccc3[nH]nnc32)c1 ZINC001242657677 984025808 /nfs/dbraw/zinc/02/58/08/984025808.db2.gz PEKMWXIUDFUZNS-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Nc1ccnc(-c2cnc(C(F)(F)F)nc2)c1 ZINC001242660979 984029188 /nfs/dbraw/zinc/02/91/88/984029188.db2.gz VMZNABPDNOWODB-UHFFFAOYSA-N 0 1 240.188 2.140 20 0 BEADMN CC1(CNc2[nH]c3cccc(C(=O)[O-])c3[nH+]2)CC1 ZINC001573620372 984034792 /nfs/dbraw/zinc/03/47/92/984034792.db2.gz UGCBLTSYXAIIRH-UHFFFAOYSA-N 0 1 245.282 2.473 20 0 BEADMN CC1(CNc2[nH]c3c(cccc3C(=O)[O-])[nH+]2)CC1 ZINC001573620372 984034799 /nfs/dbraw/zinc/03/47/99/984034799.db2.gz UGCBLTSYXAIIRH-UHFFFAOYSA-N 0 1 245.282 2.473 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC12CCC(CC1)C2 ZINC001573767350 984043149 /nfs/dbraw/zinc/04/31/49/984043149.db2.gz AALBUTAXCXJWJF-QWKFWESOSA-N 0 1 225.332 2.362 20 0 BEADMN NCc1ncc(-c2ccccc2OC2CC2)cn1 ZINC001242792706 984166556 /nfs/dbraw/zinc/16/65/56/984166556.db2.gz LFISAMMTDNMPQJ-UHFFFAOYSA-N 0 1 241.294 2.144 20 0 BEADMN NCc1ncc(-c2cccc(OC3CC3)c2)cn1 ZINC001242805041 984177721 /nfs/dbraw/zinc/17/77/21/984177721.db2.gz QHRJYBNXCOFBOY-UHFFFAOYSA-N 0 1 241.294 2.144 20 0 BEADMN Cc1cc2[nH]cnc2cc1-c1ccncn1 ZINC001242917108 984286476 /nfs/dbraw/zinc/28/64/76/984286476.db2.gz CWNBTEVOYMVGLM-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccc(-c2cc(N)ccn2)c(C)n1 ZINC001242927401 984302861 /nfs/dbraw/zinc/30/28/61/984302861.db2.gz RMKRPVNHCYXMHG-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN CSc1cncc(-c2cc(N)ccn2)c1 ZINC001242945524 984307835 /nfs/dbraw/zinc/30/78/35/984307835.db2.gz ACWZGWHJSANGFI-UHFFFAOYSA-N 0 1 217.297 2.448 20 0 BEADMN c1nc2cc(-c3cnn4ccccc34)ncc2[nH]1 ZINC001242963011 984325801 /nfs/dbraw/zinc/32/58/01/984325801.db2.gz XWMQYPVAUPUEMC-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1cc(C)ccc1-c1ncnc2c1CNC2 ZINC001242978590 984349081 /nfs/dbraw/zinc/34/90/81/984349081.db2.gz VIVXDIHKWRBVPJ-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CCCCN(CC)C(=O)CCN1CC[C@@H](F)C1 ZINC001440432521 984418954 /nfs/dbraw/zinc/41/89/54/984418954.db2.gz IGDIAMXORHAAIJ-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN Cc1nc2cccc(-c3cncn3C)c2[nH]1 ZINC001243067741 984485499 /nfs/dbraw/zinc/48/54/99/984485499.db2.gz OUBKTGPEXMKFQG-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1cnc(-c2cccc(CO)c2F)cc1N ZINC001243138239 984593627 /nfs/dbraw/zinc/59/36/27/984593627.db2.gz CFEMHTRBKLVGSW-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN Cc1cnc(F)c(-c2cccc3[nH]nnc32)c1 ZINC001243165749 984624483 /nfs/dbraw/zinc/62/44/83/984624483.db2.gz AWOXMMJWSVXMCF-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C(C)C)C1CCC1 ZINC001588947487 984660429 /nfs/dbraw/zinc/66/04/29/984660429.db2.gz YHCQMBMZAWVYFS-YFHOEESVSA-N 0 1 211.305 2.280 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001588949850 984676186 /nfs/dbraw/zinc/67/61/86/984676186.db2.gz WCJNXKCCFHVYOG-MQGYJPLLSA-N 0 1 223.316 2.139 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@H]1c1cccnc1)C(=O)[O-] ZINC001588959945 984729459 /nfs/dbraw/zinc/72/94/59/984729459.db2.gz VHQGFSXXCHBICF-VKUYVZBCSA-N 0 1 246.310 2.249 20 0 BEADMN Cc1cocc1C(=O)Nc1cccc2[nH]nnc21 ZINC001449931744 984796691 /nfs/dbraw/zinc/79/66/91/984796691.db2.gz ACPPYQYTNMDNRB-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Nc1ccc(F)c(-c2cc3nc[nH]c3cn2)c1 ZINC001243283201 984808248 /nfs/dbraw/zinc/80/82/48/984808248.db2.gz JETAWAYCFBBWNC-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN COc1cncnc1-c1ccc(O)c(F)c1F ZINC001243339565 984830406 /nfs/dbraw/zinc/83/04/06/984830406.db2.gz QHVSFYSRJPOTIN-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Nc1cnc(-c2ccc(O)c(F)c2F)c(F)c1 ZINC001243341924 984833183 /nfs/dbraw/zinc/83/31/83/984833183.db2.gz VMSBCSDCIXRCLX-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Nc1cc[nH+]cc1-c1ccc([O-])c(F)c1F ZINC001243342678 984833783 /nfs/dbraw/zinc/83/37/83/984833783.db2.gz OEYFBSUYLKZYJZ-UHFFFAOYSA-N 0 1 222.194 2.145 20 0 BEADMN CCCC(=O)NC[C@@H]1CCCCCN1CCF ZINC001276278176 984841162 /nfs/dbraw/zinc/84/11/62/984841162.db2.gz ONHASBKYOUBDHF-LBPRGKRZSA-N 0 1 244.354 2.117 20 0 BEADMN Cn1c(-c2cnc(CN)nc2)cc2ccccc21 ZINC001243354269 984841104 /nfs/dbraw/zinc/84/11/04/984841104.db2.gz NRHDRETUTAPCSB-UHFFFAOYSA-N 0 1 238.294 2.094 20 0 BEADMN CCC[C@H](C)N1CCN(C(C)(C)C)C(=O)C1 ZINC001257326067 984897407 /nfs/dbraw/zinc/89/74/07/984897407.db2.gz SSMRYKPNTZTRGD-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@H]1c1ccccc1 ZINC001588948577 984944394 /nfs/dbraw/zinc/94/43/94/984944394.db2.gz IZDMDXAUJVRXGM-STRFDMGBSA-N 0 1 231.295 2.464 20 0 BEADMN Nc1cc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001243456001 984971783 /nfs/dbraw/zinc/97/17/83/984971783.db2.gz QCJZVGFLKUDYLE-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1cc(-c2ccc3nn[nH]c3c2)ccc1F ZINC001243456001 984971799 /nfs/dbraw/zinc/97/17/99/984971799.db2.gz QCJZVGFLKUDYLE-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN C=C/C=C\CC(=O)NOc1ccc(F)cc1 ZINC001453032145 984974231 /nfs/dbraw/zinc/97/42/31/984974231.db2.gz LCKBFZXBFVJXPU-ARJAWSKDSA-N 0 1 221.231 2.368 20 0 BEADMN C=C/C=C/CC(=O)NOc1ccc(F)cc1 ZINC001453032166 984980419 /nfs/dbraw/zinc/98/04/19/984980419.db2.gz LCKBFZXBFVJXPU-ONEGZZNKSA-N 0 1 221.231 2.368 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCCC23CC3)n[nH]1 ZINC001454564737 985040052 /nfs/dbraw/zinc/04/00/52/985040052.db2.gz KYXHIGPFPOSWSB-LBPRGKRZSA-N 0 1 247.342 2.100 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cc(O)ccc1C ZINC001454711165 985043221 /nfs/dbraw/zinc/04/32/21/985043221.db2.gz JEKSKEDYICGVNS-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN FC1(F)COC2(CN(C3CCCCC3)C2)C1 ZINC001257459538 985067872 /nfs/dbraw/zinc/06/78/72/985067872.db2.gz YCBIEDGNJRIBDS-UHFFFAOYSA-N 0 1 231.286 2.429 20 0 BEADMN Cc1nc(-c2cccc(O)c2F)nc2nc[nH]c21 ZINC001243542117 985079935 /nfs/dbraw/zinc/07/99/35/985079935.db2.gz HHQFACGEDWFNSB-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Cc1ccnc(F)c1-c1nccc2[nH]cnc21 ZINC001243548948 985103085 /nfs/dbraw/zinc/10/30/85/985103085.db2.gz LTTJGGMOOXKOAJ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN C[C@@H]1C[C@H](C(=O)NOCc2ccccc2)[C@@H](C)O1 ZINC000686431450 985117011 /nfs/dbraw/zinc/11/70/11/985117011.db2.gz WXKCOBWRYRMHJH-WZRBSPASSA-N 0 1 249.310 2.048 20 0 BEADMN CCCCC[C@@H](C)N1CC(=O)N2CCC[C@H]2C1 ZINC001257514093 985142505 /nfs/dbraw/zinc/14/25/05/985142505.db2.gz AZALONOOFDBNRF-OLZOCXBDSA-N 0 1 238.375 2.262 20 0 BEADMN O=c1cccc(-c2ccc3cncn3c2)[nH]1 ZINC001243737043 985269747 /nfs/dbraw/zinc/26/97/47/985269747.db2.gz INXJCUPIOURVGD-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1cccc(=O)[nH]1 ZINC001243737674 985275894 /nfs/dbraw/zinc/27/58/94/985275894.db2.gz JXFYKLYNRIIHQT-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1cc(F)ncc1-c1nccc2[nH]cnc21 ZINC001243759823 985297412 /nfs/dbraw/zinc/29/74/12/985297412.db2.gz BTGHHWMIAJZBOG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)ncc1-c1[nH]ccc2ncnc1-2 ZINC001243759823 985297430 /nfs/dbraw/zinc/29/74/30/985297430.db2.gz BTGHHWMIAJZBOG-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC(C)=CCC[C@H](C)N1CC(N2CC(F)C2)C1 ZINC001258087116 985387423 /nfs/dbraw/zinc/38/74/23/985387423.db2.gz ZRMCNQBKEIAYAL-LBPRGKRZSA-N 0 1 240.366 2.459 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001599940143 985444345 /nfs/dbraw/zinc/44/43/45/985444345.db2.gz OOSBVFWSQLNQAW-SNVBAGLBSA-N 0 1 229.396 2.193 20 0 BEADMN C[Si](C)(C)C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599940173 985445000 /nfs/dbraw/zinc/44/50/00/985445000.db2.gz PORXSRFNKZUAGW-PWSUYJOCSA-N 0 1 241.407 2.193 20 0 BEADMN Cc1cccc2c1CCN(CC1=NOCC1)C2 ZINC001459448003 985502479 /nfs/dbraw/zinc/50/24/79/985502479.db2.gz KNZJNWQWDVBHEQ-UHFFFAOYSA-N 0 1 230.311 2.129 20 0 BEADMN Cc1cncnc1-c1cccc2nc[nH]c21 ZINC001243926881 985595794 /nfs/dbraw/zinc/59/57/94/985595794.db2.gz BXYDACDGXDJIHB-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Nc1ccnc(-c2cccc3[nH]cnc32)c1 ZINC001243927999 985599003 /nfs/dbraw/zinc/59/90/03/985599003.db2.gz RVGVFHLUGAFKIW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCc2ncn(C)c2C1 ZINC001258199174 985601825 /nfs/dbraw/zinc/60/18/25/985601825.db2.gz NNVJCEXMWAGRDJ-NSHDSACASA-N 0 1 245.326 2.002 20 0 BEADMN COCc1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243929094 985603656 /nfs/dbraw/zinc/60/36/56/985603656.db2.gz LAKLPUDBEQXBOD-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN c1cn2c(cncc2-c2cccc3nc[nH]c32)n1 ZINC001243932966 985606415 /nfs/dbraw/zinc/60/64/15/985606415.db2.gz TYBAREAXFXNHEK-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN O=C1Nc2c(cccc2C2=CNCCC2)C12CC2 ZINC001243950629 985648024 /nfs/dbraw/zinc/64/80/24/985648024.db2.gz JCFFEFBHHLAIHK-UHFFFAOYSA-N 0 1 240.306 2.395 20 0 BEADMN COc1cnc(-c2ccc3[nH]c(C)nc3c2)nc1 ZINC001243963125 985680773 /nfs/dbraw/zinc/68/07/73/985680773.db2.gz PQHDFMKAUUKVDG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(-c2ccc3[nH]c(C)nc3c2)cn1 ZINC001243964401 985682355 /nfs/dbraw/zinc/68/23/55/985682355.db2.gz KGEQDKIGFUKYDD-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Fc1cc(-c2cccc3[nH]nnc32)cc(F)n1 ZINC001243970249 985693883 /nfs/dbraw/zinc/69/38/83/985693883.db2.gz GNZURCKCELQLEM-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN C[C@H]1C[C@@H](c2cccnc2)N(CC2=NOCC2)C1 ZINC001459998480 985699699 /nfs/dbraw/zinc/69/96/99/985699699.db2.gz VJMILFPRTYXDAD-FZMZJTMJSA-N 0 1 245.326 2.241 20 0 BEADMN COc1cc(O)ccc1-c1cccc2[nH]nnc21 ZINC001243984927 985721019 /nfs/dbraw/zinc/72/10/19/985721019.db2.gz YIXRFNAISHXYSW-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CSc1ncc(CN2CC[C@H](C)C2)cn1 ZINC001138701588 985722168 /nfs/dbraw/zinc/72/21/68/985722168.db2.gz QXFAQGJDSQZIII-VIFPVBQESA-N 0 1 223.345 2.040 20 0 BEADMN c1ncn2cccc(-c3cnc4nccnc4c3)c12 ZINC001244050064 985782544 /nfs/dbraw/zinc/78/25/44/985782544.db2.gz IGAMDHMGWCXQPU-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN Oc1c(F)cc(-c2ccc(=S)[nH]n2)cc1F ZINC001244096037 985806974 /nfs/dbraw/zinc/80/69/74/985806974.db2.gz UPPVVXVLHIMHBV-UHFFFAOYSA-N 0 1 240.234 2.416 20 0 BEADMN CSC(C)(C)C[C@@H](C)N(C)C1COC1 ZINC001258342331 985814102 /nfs/dbraw/zinc/81/41/02/985814102.db2.gz VRLQTWILGRZMML-SECBINFHSA-N 0 1 217.378 2.237 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001599962480 985814154 /nfs/dbraw/zinc/81/41/54/985814154.db2.gz IHENNPRKICSUEZ-UHFFFAOYSA-N 0 1 248.326 2.397 20 0 BEADMN C[C@@H](N[C@@H](C)CC1CC1)c1ncc(F)cn1 ZINC001258454547 985898877 /nfs/dbraw/zinc/89/88/77/985898877.db2.gz KWLBCGXBLVAVQZ-DTWKUNHWSA-N 0 1 223.295 2.455 20 0 BEADMN c1cc(C2CC2)c(-c2ncnc3c2CNC3)cn1 ZINC001244277607 985912941 /nfs/dbraw/zinc/91/29/41/985912941.db2.gz RDFRYFKTGYJEHZ-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C[C@H]1C ZINC000300246037 985940110 /nfs/dbraw/zinc/94/01/10/985940110.db2.gz GCKGHHMHFSSWIJ-GHMZBOCLSA-N 0 1 248.326 2.258 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@H](C2CCCC2)C1 ZINC001460946530 985961177 /nfs/dbraw/zinc/96/11/77/985961177.db2.gz JJPNFOZRCLKODH-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN Cc1cc(N)ccc1-c1nc2nc[nH]c2c(C)n1 ZINC001244366201 985996860 /nfs/dbraw/zinc/99/68/60/985996860.db2.gz JQNXHFVMZNQEOZ-UHFFFAOYSA-N 0 1 239.282 2.171 20 0 BEADMN COc1nscc1CN[C@H](C)C(C)(C)OC ZINC000720135013 986033782 /nfs/dbraw/zinc/03/37/82/986033782.db2.gz ANKZLFKCQNIURT-MRVPVSSYSA-N 0 1 244.360 2.055 20 0 BEADMN Cc1ccc(O)c(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001244403501 986072531 /nfs/dbraw/zinc/07/25/31/986072531.db2.gz YZQQEHBABYBJMU-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN CCn1ccc(CNCC2=CCCCC2)n1 ZINC001461537388 986073868 /nfs/dbraw/zinc/07/38/68/986073868.db2.gz JLPPIDMREHLQSU-UHFFFAOYSA-N 0 1 219.332 2.493 20 0 BEADMN Nc1nccc(-c2ccc(Cl)cc2O)n1 ZINC001244467548 986135987 /nfs/dbraw/zinc/13/59/87/986135987.db2.gz UWJCZLXGVCKWEL-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN Nc1cc(-c2ccc(Cl)cc2O)ncn1 ZINC001244467625 986137093 /nfs/dbraw/zinc/13/70/93/986137093.db2.gz XHAMAJQQESMGMG-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN C[C@H](O)C(C)(C)CNCc1c(F)cccc1F ZINC001461796111 986157055 /nfs/dbraw/zinc/15/70/55/986157055.db2.gz NGHWLXRJOLBGKI-VIFPVBQESA-N 0 1 243.297 2.461 20 0 BEADMN Cc1cn[nH]c1CNc1nn(C)c2ccccc21 ZINC001461813376 986168489 /nfs/dbraw/zinc/16/84/89/986168489.db2.gz BMTDPQLYPFLQNG-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC/C=C/C1CC1 ZINC001579793632 986221607 /nfs/dbraw/zinc/22/16/07/986221607.db2.gz KIAPUIHGFVRNIA-YVARQFDVSA-N 0 1 244.338 2.077 20 0 BEADMN CC[C@H]1CN(C[C@]2(C)CCCCO2)CCO1 ZINC001462034812 986268743 /nfs/dbraw/zinc/26/87/43/986268743.db2.gz AKJXZLZXNUBOJU-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN CC(=O)[C@@H](NC[C@@H](O)C(C)(C)C)c1ccccc1 ZINC001253741988 986360153 /nfs/dbraw/zinc/36/01/53/986360153.db2.gz RLRMXMZHGKZBSR-ZIAGYGMSSA-N 0 1 249.354 2.313 20 0 BEADMN CC(C)[C@@H](O)CN1CCCC(F)(F)[C@H](F)C1 ZINC001253757300 986384705 /nfs/dbraw/zinc/38/47/05/986384705.db2.gz OLFVXAOTOMRWQZ-VHSXEESVSA-N 0 1 239.281 2.073 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C(F)F)CC[C@H]1O ZINC001462132169 986453104 /nfs/dbraw/zinc/45/31/04/986453104.db2.gz FJPPRDOSSWAMRC-MWLCHTKSSA-N 0 1 244.285 2.086 20 0 BEADMN c1nc2c([nH]1)CCC[C@@H]2c1nnc(C2CC2)o1 ZINC001254063769 986497904 /nfs/dbraw/zinc/49/79/04/986497904.db2.gz FAKSJFCHYKSXRC-QMMMGPOBSA-N 0 1 230.271 2.138 20 0 BEADMN Nc1nc2ccc(-c3nnc(C4CC4)o3)cc2[nH]1 ZINC001254063789 986502097 /nfs/dbraw/zinc/50/20/97/986502097.db2.gz FNJCPUISADGEHT-UHFFFAOYSA-N 0 1 241.254 2.073 20 0 BEADMN CNc1cc(-c2ccc3cncn3c2)ccn1 ZINC001244974337 986556274 /nfs/dbraw/zinc/55/62/74/986556274.db2.gz WVUUJTXPILHETH-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN CNc1cc(-c2cccc3cncn32)ccn1 ZINC001244975619 986558262 /nfs/dbraw/zinc/55/82/62/986558262.db2.gz IQVRROXTNPFBKX-UHFFFAOYSA-N 0 1 224.267 2.438 20 0 BEADMN Cc1c(F)ccc(F)c1-c1cnc(CN)nc1 ZINC001244981534 986574594 /nfs/dbraw/zinc/57/45/94/986574594.db2.gz WCEFXNSPMZRCCQ-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN Cc1cccc([C@H](O)CN2CCC[C@H](F)C2)c1 ZINC000689439437 986612181 /nfs/dbraw/zinc/61/21/81/986612181.db2.gz ZAXKPDJLSGCBCC-UONOGXRCSA-N 0 1 237.318 2.462 20 0 BEADMN CC1CCC(N2Cc3cncnc3C2)CC1 ZINC000585332222 986653353 /nfs/dbraw/zinc/65/33/53/986653353.db2.gz MXBZEQKAHXEEBZ-UHFFFAOYSA-N 0 1 217.316 2.371 20 0 BEADMN Cc1[nH]nc(NC(=O)c2cccc(F)c2O)c1C ZINC001464801607 986656881 /nfs/dbraw/zinc/65/68/81/986656881.db2.gz PNEPDDMNHIRELE-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN c1cc(N2CCCC2)cc(C2=CCCOC2)n1 ZINC001245154542 986674097 /nfs/dbraw/zinc/67/40/97/986674097.db2.gz CVEVJICEAYIHSX-UHFFFAOYSA-N 0 1 230.311 2.486 20 0 BEADMN CN(C)/C=C/c1ccncc1C1=CCCOC1 ZINC001245160437 986706326 /nfs/dbraw/zinc/70/63/26/986706326.db2.gz NVHYYFCCTFDGMZ-SOFGYWHQSA-N 0 1 230.311 2.418 20 0 BEADMN COCn1cc(-c2cc3[nH]ccc3c(C)n2)cn1 ZINC001245220817 986745738 /nfs/dbraw/zinc/74/57/38/986745738.db2.gz WHMKWPFNCSPDNM-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN COCn1cc(-c2cc3nc[nH]c3cc2F)cn1 ZINC001245221762 986747698 /nfs/dbraw/zinc/74/76/98/986747698.db2.gz NQRWARHWHFLPMV-UHFFFAOYSA-N 0 1 246.245 2.169 20 0 BEADMN COC(C[N@@H+](C)Cc1cc2ccccc2[nH]1)OC ZINC001137320144 986762696 /nfs/dbraw/zinc/76/26/96/986762696.db2.gz YWEYNLVVDFFGMV-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN COC(CN(C)Cc1cc2ccccc2[nH]1)OC ZINC001137320144 986762710 /nfs/dbraw/zinc/76/27/10/986762710.db2.gz YWEYNLVVDFFGMV-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCOc1cc(-c2cccc3[nH]nnc32)ccn1 ZINC001245267179 986774372 /nfs/dbraw/zinc/77/43/72/986774372.db2.gz NPGVLLVWXIXLBV-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN C[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC001137344942 986807760 /nfs/dbraw/zinc/80/77/60/986807760.db2.gz KCOJIPMDMTWPNF-KOLCDFICSA-N 0 1 233.290 2.353 20 0 BEADMN CN(Cc1ccno1)Cc1[nH]nc2ccccc21 ZINC001137352334 986818026 /nfs/dbraw/zinc/81/80/26/986818026.db2.gz XEWYJANUVLJMGA-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CO[C@@H](C)C1CN(Cc2n[nH]c3ccccc32)C1 ZINC001137352479 986819159 /nfs/dbraw/zinc/81/91/59/986819159.db2.gz ZUOGKPNOUOQDBQ-JTQLQIEISA-N 0 1 245.326 2.030 20 0 BEADMN CO[C@@H](C)C1CN(Cc2[nH]nc3ccccc32)C1 ZINC001137352479 986819170 /nfs/dbraw/zinc/81/91/70/986819170.db2.gz ZUOGKPNOUOQDBQ-JTQLQIEISA-N 0 1 245.326 2.030 20 0 BEADMN CC(C)(C)c1ccc(CN2CCC[C@@H](O)C2)[nH]1 ZINC001137371015 986835735 /nfs/dbraw/zinc/83/57/35/986835735.db2.gz WTPQSKCQJYXROT-GFCCVEGCSA-N 0 1 236.359 2.269 20 0 BEADMN Cn1cc(-c2cc3cccnc3[nH]2)cc(F)c1=O ZINC001245404140 986842426 /nfs/dbraw/zinc/84/24/26/986842426.db2.gz JYKHSCXKZWPQAM-UHFFFAOYSA-N 0 1 243.241 2.068 20 0 BEADMN Nc1ccnc(-c2c[nH]c3ncc(F)cc23)c1 ZINC001245431499 986849601 /nfs/dbraw/zinc/84/96/01/986849601.db2.gz RCHDSEZHQRRXFL-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN C/C=C(\C)C(=O)NCCCN(C)C/C=C/Cl ZINC001265821798 986861248 /nfs/dbraw/zinc/86/12/48/986861248.db2.gz AAFSILZSHVTUAG-CDSIHSFESA-N 0 1 244.766 2.143 20 0 BEADMN Cn1cc(-c2cc(N)ccn2)c2ccncc21 ZINC001245485498 986866059 /nfs/dbraw/zinc/86/60/59/986866059.db2.gz PGZRLLMKOSNDHH-UHFFFAOYSA-N 0 1 224.267 2.218 20 0 BEADMN Cc1cc(CCC(=O)NC[C@H]2CC[C@H](C)C2)n[nH]1 ZINC001467732670 986867987 /nfs/dbraw/zinc/86/79/87/986867987.db2.gz HMSRTPKPBUSGDA-JQWIXIFHSA-N 0 1 249.358 2.203 20 0 BEADMN F[C@H]1CCCN(Cc2c[nH]c3ncccc23)C1 ZINC001137402040 986879112 /nfs/dbraw/zinc/87/91/12/986879112.db2.gz MEPSHORMPUUCLV-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@@H]1CCSC1 ZINC001255290530 986891494 /nfs/dbraw/zinc/89/14/94/986891494.db2.gz GWIZEEMWCXRRQW-WDEREUQCSA-N 0 1 222.357 2.370 20 0 BEADMN Cc1cc(-c2cccc3cncn32)cnc1N ZINC001245539699 986924579 /nfs/dbraw/zinc/92/45/79/986924579.db2.gz OWTQXFNNGKJSEL-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN CCCC[C@@H](C)N1CCc2c(ncnc2OC)C1 ZINC001255330980 986928485 /nfs/dbraw/zinc/92/84/85/986928485.db2.gz XZAVUHRPZLMAAB-LLVKDONJSA-N 0 1 249.358 2.422 20 0 BEADMN NCc1ncc(-c2cc3cc(F)ccc3[nH]2)cn1 ZINC001245576130 986973716 /nfs/dbraw/zinc/97/37/16/986973716.db2.gz FQEXFOBENHHUAX-UHFFFAOYSA-N 0 1 242.257 2.223 20 0 BEADMN Oc1cc(-c2ncncc2F)c(F)c(F)c1F ZINC001245633838 987007780 /nfs/dbraw/zinc/00/77/80/987007780.db2.gz HOTLHVYYAMZSND-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Oc1cc(-c2cccnn2)c(F)c(F)c1F ZINC001245635962 987011305 /nfs/dbraw/zinc/01/13/05/987011305.db2.gz XULLDHADJQVQNL-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cn1ccc2c1ncnc2-c1c(O)cccc1F ZINC001245652144 987012850 /nfs/dbraw/zinc/01/28/50/987012850.db2.gz QORLXTODXVTLRG-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN Cn1cnc(-c2cc(O)c(F)c(F)c2F)c1 ZINC001245635808 987013207 /nfs/dbraw/zinc/01/32/07/987013207.db2.gz OHHRIRAHVLNWGJ-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN CCOc1ccc(-c2c(O)cccc2F)nn1 ZINC001245651539 987016995 /nfs/dbraw/zinc/01/69/95/987016995.db2.gz CVSSVNXQSVQKMP-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Oc1cccc(F)c1-c1ncnc2cc[nH]c21 ZINC001245651541 987022050 /nfs/dbraw/zinc/02/20/50/987022050.db2.gz CWMHDIUGBWBZGN-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN O=C1Cc2cnc(-c3c(O)cccc3F)cc2N1 ZINC001245653661 987025389 /nfs/dbraw/zinc/02/53/89/987025389.db2.gz KNHYBZASSLTRJK-UHFFFAOYSA-N 0 1 244.225 2.088 20 0 BEADMN COc1nnc(-c2c(O)cccc2F)cc1C ZINC001245653050 987026664 /nfs/dbraw/zinc/02/66/64/987026664.db2.gz FTZBIDLMKWRCTI-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cc1ccc(C(N)=O)c(-c2c(O)cccc2F)n1 ZINC001245655211 987032789 /nfs/dbraw/zinc/03/27/89/987032789.db2.gz YTOKJXGUOUOYQK-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Cc1ccc(-c2c(O)cccc2F)nc1N ZINC001245654824 987033547 /nfs/dbraw/zinc/03/35/47/987033547.db2.gz VIBOURVYQBWNIU-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN CC(=O)C(C)(C)N[C@@H](C)CC(F)(F)F ZINC001255632060 987035546 /nfs/dbraw/zinc/03/55/46/987035546.db2.gz AFFMSCFIRWXOFO-LURJTMIESA-N 0 1 211.227 2.285 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2nn(C)cc2C1 ZINC001255658060 987047607 /nfs/dbraw/zinc/04/76/07/987047607.db2.gz OKGULSYUAQEPLA-MRVPVSSYSA-N 0 1 247.264 2.119 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)nnc1C ZINC001245894328 987102384 /nfs/dbraw/zinc/10/23/84/987102384.db2.gz ILQPWUINLJZDMN-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN CN(C)c1ccc(-c2ccc3cncn3c2)nc1 ZINC001245893825 987103766 /nfs/dbraw/zinc/10/37/66/987103766.db2.gz CYRWLACNRVBFLV-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN CCc1cncnc1-c1ccc2cncn2c1 ZINC001245895903 987107695 /nfs/dbraw/zinc/10/76/95/987107695.db2.gz JSSNPLBOHCXHDA-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CN(C)c1cccc(-c2ccc3cncn3c2)n1 ZINC001245895163 987107758 /nfs/dbraw/zinc/10/77/58/987107758.db2.gz QWNHAPRWTAXNOX-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN COc1cc(C)nc(-c2ccc3cncn3c2)n1 ZINC001245896156 987108444 /nfs/dbraw/zinc/10/84/44/987108444.db2.gz MOPDAESPGKTANQ-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN CN(C)c1cc(-c2ccc3cncn3c2)ccn1 ZINC001245896064 987109063 /nfs/dbraw/zinc/10/90/63/987109063.db2.gz ILPZVEOOUAFYEC-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN CCC(=O)CCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC001594695103 987111514 /nfs/dbraw/zinc/11/15/14/987111514.db2.gz BERJJEVOIVUORV-NSHDSACASA-N 0 1 241.331 2.075 20 0 BEADMN Cn1cnc2c1ccnc2-c1ccc2cncn2c1 ZINC001245894473 987112966 /nfs/dbraw/zinc/11/29/66/987112966.db2.gz JXWGWSQBKWEVCB-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1ncn2cc(-c3ccn4cnnc4c3)ccc12 ZINC001245898807 987131721 /nfs/dbraw/zinc/13/17/21/987131721.db2.gz XYKQSOVKXBMJRF-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCc1cc(=O)n(-c2cc(F)ccc2F)[nH]1 ZINC001245916257 987142989 /nfs/dbraw/zinc/14/29/89/987142989.db2.gz DCJALUBKEKAQMQ-UHFFFAOYSA-N 0 1 224.210 2.419 20 0 BEADMN CCc1cc(=O)n(-c2cccc(F)c2F)[nH]1 ZINC001245917903 987150015 /nfs/dbraw/zinc/15/00/15/987150015.db2.gz PHVUGLDNJIVCLZ-UHFFFAOYSA-N 0 1 224.210 2.419 20 0 BEADMN COc1ccc(-n2[nH]c(C(C)C)cc2=O)cn1 ZINC001245917114 987150143 /nfs/dbraw/zinc/15/01/43/987150143.db2.gz DLTLYLDKTRMYPV-UHFFFAOYSA-N 0 1 233.271 2.105 20 0 BEADMN COc1cccc(C[C@H](C)N2CCO[C@@H](C)C2)c1 ZINC001256159141 987154530 /nfs/dbraw/zinc/15/45/30/987154530.db2.gz FVICSPYNFNAMOQ-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN CCc1cc(=O)n([C@H](C)C(F)(F)F)[nH]1 ZINC001245918582 987156820 /nfs/dbraw/zinc/15/68/20/987156820.db2.gz ZRRLENCKRIDMBK-RXMQYKEDSA-N 0 1 208.183 2.274 20 0 BEADMN CCc1cc(=O)n(-c2cc(C)ccc2OC)[nH]1 ZINC001245918440 987157393 /nfs/dbraw/zinc/15/73/93/987157393.db2.gz WICKTZFIMQHDCF-UHFFFAOYSA-N 0 1 232.283 2.457 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCCC23CC3)[nH]1 ZINC001472020089 987163317 /nfs/dbraw/zinc/16/33/17/987163317.db2.gz CBBJSWWZGOHGEQ-LLVKDONJSA-N 0 1 247.342 2.169 20 0 BEADMN CCCc1ccc(-n2[nH]c(CO)cc2=O)cc1 ZINC001245923960 987168544 /nfs/dbraw/zinc/16/85/44/987168544.db2.gz HOCRPPKUZDZOIW-UHFFFAOYSA-N 0 1 232.283 2.023 20 0 BEADMN CCCCc1cc(=O)n(-c2cccnc2F)[nH]1 ZINC001245926079 987178601 /nfs/dbraw/zinc/17/86/01/987178601.db2.gz DGYALISZOFQHTP-UHFFFAOYSA-N 0 1 235.262 2.455 20 0 BEADMN Cc1cc(=O)n(Cc2cc(F)cc(F)c2)[nH]1 ZINC001245927533 987178686 /nfs/dbraw/zinc/17/86/86/987178686.db2.gz APVKKGRGIDTZRC-UHFFFAOYSA-N 0 1 224.210 2.224 20 0 BEADMN CS/C=C/C(=O)Nc1ccc2cncn2c1 ZINC001472133401 987189438 /nfs/dbraw/zinc/18/94/38/987189438.db2.gz AJWAVORPMFSAGG-SNAWJCMRSA-N 0 1 233.296 2.150 20 0 BEADMN COCCn1[nH]c(C2CCCCC2)cc1=O ZINC001245935988 987197428 /nfs/dbraw/zinc/19/74/28/987197428.db2.gz RFZYUCIHZLGRHN-UHFFFAOYSA-N 0 1 224.304 2.283 20 0 BEADMN CCCCCC[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000692988079 987300259 /nfs/dbraw/zinc/30/02/59/987300259.db2.gz FETXYCFUHJXGDU-PHIMTYICSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cccc(CN2CC[C@H](F)[C@@H](O)C2)c1F ZINC001137672526 987344309 /nfs/dbraw/zinc/34/43/09/987344309.db2.gz KUZUQACQDFBNHQ-RYUDHWBXSA-N 0 1 241.281 2.039 20 0 BEADMN CC[C@@H]1CCN(Cc2ncccn2)[C@@H]1C ZINC001473402301 987421593 /nfs/dbraw/zinc/42/15/93/987421593.db2.gz JEMQMJGJNKQSNB-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN CC(C)C1CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001116368888 987530693 /nfs/dbraw/zinc/53/06/93/987530693.db2.gz KLEMRVCFYRDDGD-UHFFFAOYSA-N 0 1 233.315 2.015 20 0 BEADMN Cc1nc(CN(C)c2cccc3cc[nH]c32)n[nH]1 ZINC001473702068 987532822 /nfs/dbraw/zinc/53/28/22/987532822.db2.gz BJUWVROSHOSOLK-UHFFFAOYSA-N 0 1 241.298 2.231 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)CC1 ZINC001473742329 987541757 /nfs/dbraw/zinc/54/17/57/987541757.db2.gz OOLGRXTYXVIWSI-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN Cc1cc(CNc2ccc([S@](C)=O)cc2)n[nH]1 ZINC001116448777 987576307 /nfs/dbraw/zinc/57/63/07/987576307.db2.gz DQZNXFPUSMZGSE-KRWDZBQOSA-N 0 1 249.339 2.068 20 0 BEADMN COc1nscc1CNC(C)(C)CSC ZINC001473861683 987594025 /nfs/dbraw/zinc/59/40/25/987594025.db2.gz HQXCOAKWXUWMCZ-UHFFFAOYSA-N 0 1 246.401 2.383 20 0 BEADMN CC(C)OC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC001116541328 987624040 /nfs/dbraw/zinc/62/40/40/987624040.db2.gz FDXGSZVDFSKJFK-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN Cc1ccc(NC[C@H]2CCCOC2)c(N(C)C)n1 ZINC001474097996 987642317 /nfs/dbraw/zinc/64/23/17/987642317.db2.gz UPCUGEOCOCYOMN-GFCCVEGCSA-N 0 1 249.358 2.295 20 0 BEADMN COc1cccc(NCc2cc(C)[nH]n2)c1F ZINC001116626631 987649501 /nfs/dbraw/zinc/64/95/01/987649501.db2.gz AOZPOVXPZNBBEO-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CCC[C@@H](CC)NC1(C(F)(F)F)CNC1 ZINC001246255254 987652065 /nfs/dbraw/zinc/65/20/65/987652065.db2.gz UWMGWGMZIHBMHK-MRVPVSSYSA-N 0 1 224.270 2.059 20 0 BEADMN Cc1cc(CNCc2cc(C)c[nH]c2=O)sn1 ZINC001474288568 987675992 /nfs/dbraw/zinc/67/59/92/987675992.db2.gz CJHKBQPLLTZSBS-UHFFFAOYSA-N 0 1 249.339 2.150 20 0 BEADMN CCn1ccc(CN(C)[C@@H](C)CCSC)n1 ZINC001474337743 987689688 /nfs/dbraw/zinc/68/96/88/987689688.db2.gz ATSAHSNCBLJVSO-NSHDSACASA-N 0 1 241.404 2.476 20 0 BEADMN c1c(CN2CCCCC2)[nH]nc1-c1ccccn1 ZINC001474361828 987699732 /nfs/dbraw/zinc/69/97/32/987699732.db2.gz DJVLVZMTNQIGCW-UHFFFAOYSA-N 0 1 242.326 2.458 20 0 BEADMN CC(C)c1ocnc1CN[C@@H](CO)C(C)(C)C ZINC001116805103 987716653 /nfs/dbraw/zinc/71/66/53/987716653.db2.gz LKXGGSGIUISHEW-NSHDSACASA-N 0 1 240.347 2.295 20 0 BEADMN C[C@@H]1CCCCCN1Cc1nc(CO)cs1 ZINC001474457891 987726466 /nfs/dbraw/zinc/72/64/66/987726466.db2.gz SDYKZSYLQYSKFE-SNVBAGLBSA-N 0 1 240.372 2.400 20 0 BEADMN CC[C@H](C)c1nnc([C@H](C)NC[C@H](C)OC)[nH]1 ZINC001474493898 987737244 /nfs/dbraw/zinc/73/72/44/987737244.db2.gz DJDNBTSKPJCXEO-GUBZILKMSA-N 0 1 240.351 2.004 20 0 BEADMN Cc1nccc(CN2CC(C)(C)C2(C)C)n1 ZINC001116881359 987745663 /nfs/dbraw/zinc/74/56/63/987745663.db2.gz SYGGSGUHGIFYJI-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN CCc1nc(CNC[C@]2(C)CCCCO2)co1 ZINC001474528728 987749550 /nfs/dbraw/zinc/74/95/50/987749550.db2.gz VFXFLGMIGNWJPA-ZDUSSCGKSA-N 0 1 238.331 2.286 20 0 BEADMN Cc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc(C)n1 ZINC001474607390 987776140 /nfs/dbraw/zinc/77/61/40/987776140.db2.gz OFXKKBLBMIODMJ-TXEJJXNPSA-N 0 1 238.281 2.395 20 0 BEADMN C[C@H](COCC1CC1)NCc1ncccc1F ZINC001474612968 987778482 /nfs/dbraw/zinc/77/84/82/987778482.db2.gz DOHSNVFLXVIMRP-SNVBAGLBSA-N 0 1 238.306 2.125 20 0 BEADMN CSCCNCc1c(Cl)ccnc1F ZINC001474623628 987784436 /nfs/dbraw/zinc/78/44/36/987784436.db2.gz WTSOSQHOMWADGC-UHFFFAOYSA-N 0 1 234.727 2.327 20 0 BEADMN CCCn1cncc1CN1CC[C@@H](CF)C1 ZINC001474683370 987800877 /nfs/dbraw/zinc/80/08/77/987800877.db2.gz KBKZYRSXZGERGD-NSHDSACASA-N 0 1 225.311 2.085 20 0 BEADMN CC1CC(N[C@@H](CO)c2cc(F)ccc2F)C1 ZINC001474750575 987818892 /nfs/dbraw/zinc/81/88/92/987818892.db2.gz ROHJNXUOBMFEBB-RHYVWVDMSA-N 0 1 241.281 2.386 20 0 BEADMN c1snnc1CNC[C@H]1C[C@H]1C1CCCC1 ZINC001474754911 987819052 /nfs/dbraw/zinc/81/90/52/987819052.db2.gz FAEGALPGDRVSFP-PWSUYJOCSA-N 0 1 237.372 2.454 20 0 BEADMN CCC(CC)N(CC)CC(=O)OC(C)C ZINC001117508197 987842034 /nfs/dbraw/zinc/84/20/34/987842034.db2.gz DQUNVYJQKZCMEB-UHFFFAOYSA-N 0 1 215.337 2.449 20 0 BEADMN C[C@H]1C[C@@H]1c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001117592947 987849571 /nfs/dbraw/zinc/84/95/71/987849571.db2.gz FDEJMOGSSFPBFU-INTQDDNPSA-N 0 1 233.315 2.002 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001594770081 987864232 /nfs/dbraw/zinc/86/42/32/987864232.db2.gz AAMBEMMBDCIBOV-NWDGAFQWSA-N 0 1 237.274 2.436 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccn1 ZINC001594874369 987870771 /nfs/dbraw/zinc/87/07/71/987870771.db2.gz CBELPVRWKNZGTR-ZYHUDNBSSA-N 0 1 236.315 2.013 20 0 BEADMN CCn1cc(CNCc2cccn2C2CC2)cn1 ZINC001117744863 987887533 /nfs/dbraw/zinc/88/75/33/987887533.db2.gz ZACYUTOVKPQIPD-UHFFFAOYSA-N 0 1 244.342 2.329 20 0 BEADMN CCC[C@H](CC)C(=O)N(C)C[C@@H]1CCN1CC ZINC001479257107 987894204 /nfs/dbraw/zinc/89/42/04/987894204.db2.gz ZIYUGOLPXJRBEH-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H](CC)C(=O)N(C)C[C@H]1CCN1CC ZINC001479257104 987895337 /nfs/dbraw/zinc/89/53/37/987895337.db2.gz ZIYUGOLPXJRBEH-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN COc1cccc2c1[C@@H](C(=O)NOC(C)C)CC2 ZINC001117796115 987921198 /nfs/dbraw/zinc/92/11/98/987921198.db2.gz ANDUOZCLABVMLQ-NSHDSACASA-N 0 1 249.310 2.181 20 0 BEADMN CCN1CCN(c2nc3cccc(C)c3o2)CC1 ZINC001117794300 987921873 /nfs/dbraw/zinc/92/18/73/987921873.db2.gz GGVMUVFTGGAVMJ-UHFFFAOYSA-N 0 1 245.326 2.278 20 0 BEADMN CS[C@H]1CC[C@@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC001321560205 987938633 /nfs/dbraw/zinc/93/86/33/987938633.db2.gz YBWZRPHOBYYXTF-MNOVXSKESA-N 0 1 225.361 2.126 20 0 BEADMN Cc1nnc(S[C@H]2CCCC(C)(C)C2=O)[nH]1 ZINC001117941426 987961928 /nfs/dbraw/zinc/96/19/28/987961928.db2.gz DIJOKDNQBIGDRS-QMMMGPOBSA-N 0 1 239.344 2.353 20 0 BEADMN Cc1n[nH]c(S[C@H]2CCCC(C)(C)C2=O)n1 ZINC001117941426 987961938 /nfs/dbraw/zinc/96/19/38/987961938.db2.gz DIJOKDNQBIGDRS-QMMMGPOBSA-N 0 1 239.344 2.353 20 0 BEADMN COc1cc(NCc2cc(C)[nH]n2)cc(OC)c1 ZINC001321844243 988022102 /nfs/dbraw/zinc/02/21/02/988022102.db2.gz JUBBCPHZGLQULW-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN CCC(CC)CN1CC(NC(=O)[C@H](C)CC)C1 ZINC001494340459 988135953 /nfs/dbraw/zinc/13/59/53/988135953.db2.gz NBSNZGGUYSPCKX-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC1CCN(CC(=O)NCC2CC2)CC1 ZINC001322273406 988179946 /nfs/dbraw/zinc/17/99/46/988179946.db2.gz ZUNJKTFEKTWBQA-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)=CCCOC(=O)[C@H](C(C)C)N(C)C ZINC001118398522 988280487 /nfs/dbraw/zinc/28/04/87/988280487.db2.gz BTRSDJJMGMYHCF-LBPRGKRZSA-N 0 1 227.348 2.472 20 0 BEADMN CC(C)(C)ONC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001322470661 988284208 /nfs/dbraw/zinc/28/42/08/988284208.db2.gz HRYSADYLCHICBK-LLVKDONJSA-N 0 1 237.274 2.312 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)CC2CCC2)n[nH]1 ZINC001118391197 988299290 /nfs/dbraw/zinc/29/92/90/988299290.db2.gz HYZPUWQJHZLIDC-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN c1nnc(CSc2ccc3c(c2)CCO3)[nH]1 ZINC001118479594 988374459 /nfs/dbraw/zinc/37/44/59/988374459.db2.gz RNQWWBQGYGLGSP-UHFFFAOYSA-N 0 1 233.296 2.032 20 0 BEADMN c1nnc(CN2CCC(c3ccccc3)CC2)[nH]1 ZINC001118493383 988381669 /nfs/dbraw/zinc/38/16/69/988381669.db2.gz WLXVHIMZJLUIRN-UHFFFAOYSA-N 0 1 242.326 2.184 20 0 BEADMN c1nonc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC001118492608 988384505 /nfs/dbraw/zinc/38/45/05/988384505.db2.gz NAVKFEGNIYOZAE-GHMZBOCLSA-N 0 1 221.304 2.082 20 0 BEADMN CO[C@H](CSCc1nnc[nH]1)CC(C)C ZINC001118534998 988417767 /nfs/dbraw/zinc/41/77/67/988417767.db2.gz BNKNPLDHDZLVKB-VIFPVBQESA-N 0 1 229.349 2.099 20 0 BEADMN C[C@@H](c1ccco1)N(Cc1nnc[nH]1)C1CC1 ZINC001118556805 988432482 /nfs/dbraw/zinc/43/24/82/988432482.db2.gz KURVKDACIMACCL-VIFPVBQESA-N 0 1 232.287 2.123 20 0 BEADMN Clc1ccc(C2(NCc3nnc[nH]3)CC2)cc1 ZINC001118557288 988436882 /nfs/dbraw/zinc/43/68/82/988436882.db2.gz FRPXZBIPULJTJW-UHFFFAOYSA-N 0 1 248.717 2.237 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@@H]1[C@@H](C)O ZINC001118566325 988448392 /nfs/dbraw/zinc/44/83/92/988448392.db2.gz HSXMMNJDPYGODI-ZYHUDNBSSA-N 0 1 238.331 2.143 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@@H]1[C@H](C)O ZINC001118566324 988449639 /nfs/dbraw/zinc/44/96/39/988449639.db2.gz HSXMMNJDPYGODI-CMPLNLGQSA-N 0 1 238.331 2.143 20 0 BEADMN CCCCC(=O)N[C@@H](C)CN(C)C[C@@H](F)CC ZINC001498227045 988470947 /nfs/dbraw/zinc/47/09/47/988470947.db2.gz KNYHDAQCRBJWOV-RYUDHWBXSA-N 0 1 246.370 2.361 20 0 BEADMN Cc1csc(CSCc2nnc[nH]2)n1 ZINC001118596842 988471632 /nfs/dbraw/zinc/47/16/32/988471632.db2.gz FVQPDRZMIMOJKC-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN N[C@@H]1C[N@H+](C2CCC3(CCCC3)CC2)C[C@@H]1F ZINC001246818961 988505773 /nfs/dbraw/zinc/50/57/73/988505773.db2.gz GLZRQUNZMSAUKU-QWHCGFSZSA-N 0 1 240.366 2.470 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])n(C)c1 ZINC001595458074 988582965 /nfs/dbraw/zinc/58/29/65/988582965.db2.gz AATQTBWCTRRHMP-NSHDSACASA-N 0 1 236.315 2.098 20 0 BEADMN CS[C@@H]1CC[C@H](N(C)Cc2n[nH]cc2C)C1 ZINC001323936022 988652527 /nfs/dbraw/zinc/65/25/27/988652527.db2.gz OAIIRXVMPCKLBT-WDEREUQCSA-N 0 1 239.388 2.434 20 0 BEADMN COC[C@@H]1CCCN1Cc1nc(C)sc1C ZINC001118854109 988656369 /nfs/dbraw/zinc/65/63/69/988656369.db2.gz DLUZMEIEKPTRCJ-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN Cc1cc(CCC(=O)N2CC3CCC2CC3)n[nH]1 ZINC001546281430 988661580 /nfs/dbraw/zinc/66/15/80/988661580.db2.gz AJQJJTZWEZZOAM-UHFFFAOYSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@@H]2C)[nH]n1 ZINC001324034513 988671839 /nfs/dbraw/zinc/67/18/39/988671839.db2.gz KZKGYFAQHCEMKU-YGRLFVJLSA-N 0 1 243.310 2.330 20 0 BEADMN Cc1cc(CN(C)Cc2occc2C)n[nH]1 ZINC001324158164 988728114 /nfs/dbraw/zinc/72/81/14/988728114.db2.gz GVDRCDCGKUMETD-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN Cc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)co1 ZINC001324272632 988780598 /nfs/dbraw/zinc/78/05/98/988780598.db2.gz SXAPUVWNOMBZHV-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1cc(C(=O)Nc2n[nH]c(C(C)C)n2)co1 ZINC001324272632 988780610 /nfs/dbraw/zinc/78/06/10/988780610.db2.gz SXAPUVWNOMBZHV-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN COc1cc2[nH]c(CCCO)nc2cc1Cl ZINC001247010919 988836264 /nfs/dbraw/zinc/83/62/64/988836264.db2.gz NBNOXVGJJAEOJN-UHFFFAOYSA-N 0 1 240.690 2.150 20 0 BEADMN Cc1ccc(F)cc1-c1noc(C2CN(C)C2)n1 ZINC001247371804 988861546 /nfs/dbraw/zinc/86/15/46/988861546.db2.gz FAYGZOSCLAICQV-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN Cc1nnc(SCc2ncc(C3CC3)o2)[nH]1 ZINC001324503165 988861518 /nfs/dbraw/zinc/86/15/18/988861518.db2.gz UTIKRSSGURUHPU-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1n[nH]c(SCc2ncc(C3CC3)o2)n1 ZINC001324503165 988861520 /nfs/dbraw/zinc/86/15/20/988861520.db2.gz UTIKRSSGURUHPU-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN C[C@H]1CN(Cc2cnc(N(C)C)s2)[C@H]1C ZINC001324568527 988873666 /nfs/dbraw/zinc/87/36/66/988873666.db2.gz DPSOUEYFTWUEKH-IUCAKERBSA-N 0 1 225.361 2.049 20 0 BEADMN C[C@@H]1CN(Cc2cnc(N(C)C)s2)[C@@H]1C ZINC001324568528 988875298 /nfs/dbraw/zinc/87/52/98/988875298.db2.gz DPSOUEYFTWUEKH-RKDXNWHRSA-N 0 1 225.361 2.049 20 0 BEADMN CNCc1nc(-c2cccc(Cl)c2F)no1 ZINC001247430978 988885875 /nfs/dbraw/zinc/88/58/75/988885875.db2.gz APSVHRSWLSHVBI-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CNCc1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001247431965 988886066 /nfs/dbraw/zinc/88/60/66/988886066.db2.gz OTTZUBLKBCXHFC-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CNCc1nc(-c2ccc(C)c(F)c2F)no1 ZINC001247432131 988887800 /nfs/dbraw/zinc/88/78/00/988887800.db2.gz TVYCNEZNYFNGCI-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CN[C@@H](C)c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001247491047 988895434 /nfs/dbraw/zinc/89/54/34/988895434.db2.gz YWJZHMIXYSRFPQ-QMMMGPOBSA-N 0 1 245.282 2.220 20 0 BEADMN CN[C@H](C)c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001247490364 988897201 /nfs/dbraw/zinc/89/72/01/988897201.db2.gz RSXDIUYXOMBGBV-SECBINFHSA-N 0 1 247.298 2.334 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(N(C)C)cc2)no1 ZINC001247489827 988897245 /nfs/dbraw/zinc/89/72/45/988897245.db2.gz IJWDMTRHOVVRRW-VIFPVBQESA-N 0 1 246.314 2.083 20 0 BEADMN C[C@H](NCc1csnn1)[C@@H]1C[C@H]1C1CC1 ZINC001119304256 988913775 /nfs/dbraw/zinc/91/37/75/988913775.db2.gz QXGNRZXLNVPFBR-SWPVVBRQSA-N 0 1 223.345 2.062 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@@H]1CC1(C)C ZINC001514815814 988941074 /nfs/dbraw/zinc/94/10/74/988941074.db2.gz QDYQBBVRRDLTMS-QMMMGPOBSA-N 0 1 244.298 2.251 20 0 BEADMN CC(C)ONC(=O)[C@@H](c1cccnc1)C(C)C ZINC001324792005 988985719 /nfs/dbraw/zinc/98/57/19/988985719.db2.gz MTPGZSVFEVQNRH-GFCCVEGCSA-N 0 1 236.315 2.277 20 0 BEADMN Cc1c(C(=O)N2CC(C)(C)C2)ccc2cncn21 ZINC001324900523 989015941 /nfs/dbraw/zinc/01/59/41/989015941.db2.gz AWHPCLNWNMIQSZ-UHFFFAOYSA-N 0 1 243.310 2.125 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc(-c3cccnc3)no2)NC1 ZINC001247818425 989027685 /nfs/dbraw/zinc/02/76/85/989027685.db2.gz MHZXUNVUUWQJQU-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN CCc1ccccc1CNc1nccnc1CN ZINC001515469456 989050140 /nfs/dbraw/zinc/05/01/40/989050140.db2.gz FLYHFLCKNXRVQG-UHFFFAOYSA-N 0 1 242.326 2.110 20 0 BEADMN COC(=O)c1cccc(NCc2cc(C)[nH]n2)c1 ZINC001325027650 989063149 /nfs/dbraw/zinc/06/31/49/989063149.db2.gz MVJDVIHCNZJYJP-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CN[C@H](CC(C)C)c1nc(-c2ccncc2)no1 ZINC001248206202 989082215 /nfs/dbraw/zinc/08/22/15/989082215.db2.gz RGCOBLFIXCKFOB-LLVKDONJSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1ccccc1[C@H](NCc1cn[nH]n1)C1CC1 ZINC001325192216 989115208 /nfs/dbraw/zinc/11/52/08/989115208.db2.gz ZZQASJRVTGNBQD-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCc1cccc(C)c1 ZINC001515801049 989115354 /nfs/dbraw/zinc/11/53/54/989115354.db2.gz RYCSHDHSSIDZCR-UHFFFAOYSA-N 0 1 244.294 2.426 20 0 BEADMN Cc1noc2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C)cc12 ZINC001248690384 989122851 /nfs/dbraw/zinc/12/28/51/989122851.db2.gz KZIOALDLQZWMMO-BXKDBHETSA-N 0 1 246.310 2.091 20 0 BEADMN Nc1nccc(NCC[C@@H]2CC2(Cl)Cl)n1 ZINC001515909480 989127731 /nfs/dbraw/zinc/12/77/31/989127731.db2.gz VEERXQVMNPKBTR-ZCFIWIBFSA-N 0 1 247.129 2.055 20 0 BEADMN CC[C@@H](C)C[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119535951 989137918 /nfs/dbraw/zinc/13/79/18/989137918.db2.gz BXSWUNQNOLNMMV-BDAKNGLRSA-N 0 1 242.344 2.122 20 0 BEADMN Cc1cccc(NCC(C)(C)[C@@H](C)O)n1 ZINC001516127736 989142704 /nfs/dbraw/zinc/14/27/04/989142704.db2.gz UBVVZRBKBKNJHU-SNVBAGLBSA-N 0 1 208.305 2.209 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccn1C1CC1 ZINC001119544459 989146901 /nfs/dbraw/zinc/14/69/01/989146901.db2.gz BNKQMMVAPKBSHD-AWEZNQCLSA-N 0 1 248.326 2.262 20 0 BEADMN NCc1nccnc1NC[C@H]1C[C@H]1C1CCCC1 ZINC001516394640 989148455 /nfs/dbraw/zinc/14/84/55/989148455.db2.gz HJTWDFNQHLYRRR-NEPJUHHUSA-N 0 1 246.358 2.174 20 0 BEADMN CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1csc(C)c1 ZINC001248804452 989160872 /nfs/dbraw/zinc/16/08/72/989160872.db2.gz DNWSLVHAXUKXKY-STQMWFEESA-N 0 1 236.384 2.335 20 0 BEADMN C=C/C=C/CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001602717748 989170527 /nfs/dbraw/zinc/17/05/27/989170527.db2.gz ZSEJESAXALPGEF-GKUNOOHESA-N 0 1 223.316 2.446 20 0 BEADMN CC1(CO)CN(Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248815453 989171966 /nfs/dbraw/zinc/17/19/66/989171966.db2.gz YMSVDHMNRAULOP-UHFFFAOYSA-N 0 1 248.301 2.121 20 0 BEADMN CC[C@H](OC(=O)c1[nH]cnc1C)C1CCC1 ZINC001516935367 989184166 /nfs/dbraw/zinc/18/41/66/989184166.db2.gz QRYBOPPFGDWHBF-JTQLQIEISA-N 0 1 222.288 2.454 20 0 BEADMN CCOC1CN(Cc2nc3ccc(C)cc3[nH]2)C1 ZINC001248839342 989187592 /nfs/dbraw/zinc/18/75/92/989187592.db2.gz FUGSOFDKJAQVOH-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN CCN(C)Cc1nc2cc(C)ccc2[nH]1 ZINC001248839309 989190469 /nfs/dbraw/zinc/19/04/69/989190469.db2.gz DGTLSTHPXWTLCY-UHFFFAOYSA-N 0 1 203.289 2.323 20 0 BEADMN CCN(C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248839309 989190475 /nfs/dbraw/zinc/19/04/75/989190475.db2.gz DGTLSTHPXWTLCY-UHFFFAOYSA-N 0 1 203.289 2.323 20 0 BEADMN C(c1nc([C@@H]2CN3CCC2CC3)no1)C1CCC1 ZINC001325470693 989192601 /nfs/dbraw/zinc/19/26/01/989192601.db2.gz QMWQXFNWOARZHF-GFCCVEGCSA-N 0 1 247.342 2.221 20 0 BEADMN CCN(C)Cc1ccnc(SC(C)C)n1 ZINC001248829881 989194346 /nfs/dbraw/zinc/19/43/46/989194346.db2.gz VFBFADOXBQEZOJ-UHFFFAOYSA-N 0 1 225.361 2.429 20 0 BEADMN Cc1nnc(SC[C@@H]2CCC(C)(C)O2)[nH]1 ZINC001325540306 989205768 /nfs/dbraw/zinc/20/57/68/989205768.db2.gz ZTELUVOQBUBIFQ-QMMMGPOBSA-N 0 1 227.333 2.163 20 0 BEADMN Cc1cc(C)nc(CN2CCC3(CCC3)C2)n1 ZINC001248972068 989234086 /nfs/dbraw/zinc/23/40/86/989234086.db2.gz HNLPTWBILKWZMG-UHFFFAOYSA-N 0 1 231.343 2.469 20 0 BEADMN CCCCNCc1nc(-c2ccncc2)no1 ZINC001249025914 989237799 /nfs/dbraw/zinc/23/77/99/989237799.db2.gz PWJKWOYMAVRHSW-UHFFFAOYSA-N 0 1 232.287 2.021 20 0 BEADMN CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H]1C=CCC1 ZINC001517837907 989251342 /nfs/dbraw/zinc/25/13/42/989251342.db2.gz ZEOHKRSJEUAZFO-NEPJUHHUSA-N 0 1 223.316 2.121 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)O[C@@H]1C=CCC1 ZINC001517837907 989251349 /nfs/dbraw/zinc/25/13/49/989251349.db2.gz ZEOHKRSJEUAZFO-NEPJUHHUSA-N 0 1 223.316 2.121 20 0 BEADMN Cc1ccccc1OCCN1CC[C@]12CCOC2 ZINC001325761648 989253806 /nfs/dbraw/zinc/25/38/06/989253806.db2.gz PCJIUHLTVWHJGW-OAHLLOKOSA-N 0 1 247.338 2.239 20 0 BEADMN CC(C)[C@H](c1nc(-c2cccnc2)no1)N(C)C ZINC001249198129 989262054 /nfs/dbraw/zinc/26/20/54/989262054.db2.gz ATPMNEYXQJLCLA-LLVKDONJSA-N 0 1 246.314 2.390 20 0 BEADMN Cc1ncccc1-c1noc([C@](C)(N)C(C)C)n1 ZINC001249280979 989268833 /nfs/dbraw/zinc/26/88/33/989268833.db2.gz NVCBPGATWODTLZ-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1cccnc1-c1noc([C@](C)(N)C(C)C)n1 ZINC001249280613 989270436 /nfs/dbraw/zinc/27/04/36/989270436.db2.gz HCAYMEZCBAKPDB-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN Cc1ccncc1-c1noc([C@@](C)(N)C(C)C)n1 ZINC001249279561 989271033 /nfs/dbraw/zinc/27/10/33/989271033.db2.gz AOOJURZDTLPTBS-ZDUSSCGKSA-N 0 1 246.314 2.270 20 0 BEADMN COc1ccc2nc(CN3CC[C@@H]3C)[nH]c2c1 ZINC001249411934 989274031 /nfs/dbraw/zinc/27/40/31/989274031.db2.gz OJRDCNAADVZMBB-VIFPVBQESA-N 0 1 231.299 2.166 20 0 BEADMN CC1CC(NCc2nc3c(s2)COCC3)C1 ZINC001119640065 989282482 /nfs/dbraw/zinc/28/24/82/989282482.db2.gz LMZXHRLZCUMWEA-UHFFFAOYSA-N 0 1 238.356 2.104 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(C)sn2)CC1 ZINC001249588243 989316401 /nfs/dbraw/zinc/31/64/01/989316401.db2.gz DOVIBUZBCCBFHG-GFCCVEGCSA-N 0 1 240.372 2.452 20 0 BEADMN CC(C)N(Cc1noc2c1COCC2)C(C)C ZINC001119692971 989341481 /nfs/dbraw/zinc/34/14/81/989341481.db2.gz SGIYFIKOYBLZRJ-UHFFFAOYSA-N 0 1 238.331 2.366 20 0 BEADMN C[C@@H](C[N@H+]1CC=CCC1)C(=O)c1ccc([O-])cc1 ZINC001119702332 989347121 /nfs/dbraw/zinc/34/71/21/989347121.db2.gz OKMIJEKZNLURKN-LBPRGKRZSA-N 0 1 245.322 2.473 20 0 BEADMN C[C@@H](C[N@@H+]1CC=CCC1)C(=O)c1ccc([O-])cc1 ZINC001119702332 989347128 /nfs/dbraw/zinc/34/71/28/989347128.db2.gz OKMIJEKZNLURKN-LBPRGKRZSA-N 0 1 245.322 2.473 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCCC(F)F)n1 ZINC001119709593 989352907 /nfs/dbraw/zinc/35/29/07/989352907.db2.gz TUODYNTYYCBGOY-MRVPVSSYSA-N 0 1 246.305 2.302 20 0 BEADMN Cc1noc([C@@H](C)NCCCc2cccnc2)n1 ZINC001119732585 989372964 /nfs/dbraw/zinc/37/29/64/989372964.db2.gz NMGIUCYPKVEARB-SNVBAGLBSA-N 0 1 246.314 2.056 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1nnc[nH]1 ZINC001519313931 989393426 /nfs/dbraw/zinc/39/34/26/989393426.db2.gz HRISMGIGQWZDCD-DJLDLDEBSA-N 0 1 237.303 2.091 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(CF)CCC2)n1 ZINC001326202290 989416556 /nfs/dbraw/zinc/41/65/56/989416556.db2.gz NHQIDWDARBWXBI-MRVPVSSYSA-N 0 1 227.283 2.117 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC001603503418 989421886 /nfs/dbraw/zinc/42/18/86/989421886.db2.gz MBBBHSBQWKYMMH-CHWSQXEVSA-N 0 1 248.326 2.124 20 0 BEADMN CC(C)[C@@H](N)c1noc(C[C@H]2C=CCC2)n1 ZINC001326236138 989438550 /nfs/dbraw/zinc/43/85/50/989438550.db2.gz DEUHSMVXVLMAPZ-GXSJLCMTSA-N 0 1 221.304 2.234 20 0 BEADMN CC(C)(C(=O)NCCC1CC=CC1)c1cnc[nH]1 ZINC001119901516 989469628 /nfs/dbraw/zinc/46/96/28/989469628.db2.gz AFWZXHUGNOHPSS-UHFFFAOYSA-N 0 1 247.342 2.160 20 0 BEADMN CCc1nnc(CN[C@H]2CCC[C@H](F)C2)s1 ZINC001120057754 989581802 /nfs/dbraw/zinc/58/18/02/989581802.db2.gz JKLYPFIURIGZHQ-IUCAKERBSA-N 0 1 243.351 2.471 20 0 BEADMN CC[N@H+](Cc1cc(C)[nH]n1)CC1CCC1 ZINC001326835363 989737477 /nfs/dbraw/zinc/73/74/77/989737477.db2.gz IPPYBMMHHXVMCS-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@@H]1CN2CCC1CC2 ZINC001120687870 989831165 /nfs/dbraw/zinc/83/11/65/989831165.db2.gz VUBGWYRCWBBRNE-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)C(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC001523464726 989915914 /nfs/dbraw/zinc/91/59/14/989915914.db2.gz XHIQUYJRRZZVHV-MRVPVSSYSA-N 0 1 246.314 2.006 20 0 BEADMN C[C@H]1C[C@H](CNc2nccnc2CN)C[C@@H](C)C1 ZINC001120862042 989931620 /nfs/dbraw/zinc/93/16/20/989931620.db2.gz LMFZJULEIFYGHH-GDNZZTSVSA-N 0 1 248.374 2.420 20 0 BEADMN Nc1nccc(NCCC[C@H]2C=CCC2)n1 ZINC001120954326 989985654 /nfs/dbraw/zinc/98/56/54/989985654.db2.gz WIWDOSUOZXTMRO-JTQLQIEISA-N 0 1 218.304 2.217 20 0 BEADMN Cc1nc[nH]c1C(=O)OC1CCC(F)(F)CC1 ZINC001526317816 990126586 /nfs/dbraw/zinc/12/65/86/990126586.db2.gz WWLOXBGAZDMIOA-UHFFFAOYSA-N 0 1 244.241 2.453 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001604924021 990369178 /nfs/dbraw/zinc/36/91/78/990369178.db2.gz LVKITZLTTOZUGV-ATZCPNFKSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCCC(C)C ZINC001122622422 990427179 /nfs/dbraw/zinc/42/71/79/990427179.db2.gz BURBLROJWGZVRC-UHFFFAOYSA-N 0 1 210.277 2.311 20 0 BEADMN C[C@@H]1CC[C@@H](OC(=O)C23CCCN2CCC3)C1 ZINC001537623487 990509476 /nfs/dbraw/zinc/50/94/76/990509476.db2.gz DBBUQSKSMXGCDN-VXGBXAGGSA-N 0 1 237.343 2.347 20 0 BEADMN CCCNC(=O)c1ccc(Cl)c(O)c1 ZINC001538931097 990550559 /nfs/dbraw/zinc/55/05/59/990550559.db2.gz VOHISPYHBNMWGW-UHFFFAOYSA-N 0 1 213.664 2.185 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001540670011 990637480 /nfs/dbraw/zinc/63/74/80/990637480.db2.gz RMEIQZOWICXURG-QMMMGPOBSA-N 0 1 227.283 2.103 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3F)cc2[nH]1 ZINC001123748973 990660048 /nfs/dbraw/zinc/66/00/48/990660048.db2.gz RRYXZLGGEYHAJP-BDAKNGLRSA-N 0 1 233.246 2.168 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1C[C@@H]1F ZINC001123774737 990666739 /nfs/dbraw/zinc/66/67/39/990666739.db2.gz LLUALFQSFBVNAW-VDTYLAMSSA-N 0 1 229.638 2.342 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1ccc(Cl)c(O)c1 ZINC001544011871 990708807 /nfs/dbraw/zinc/70/88/07/990708807.db2.gz FJRLXENFJMJSMI-IONNQARKSA-N 0 1 239.702 2.431 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CC[C@@H](C)C2)c1C ZINC001123989026 990726038 /nfs/dbraw/zinc/72/60/38/990726038.db2.gz NDQWLGPRXWOZJB-BXKDBHETSA-N 0 1 249.358 2.469 20 0 BEADMN CC[C@@]1(C)C[C@@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001548816878 990790641 /nfs/dbraw/zinc/79/06/41/990790641.db2.gz HOAIOGFGOYRZNN-MFKMUULPSA-N 0 1 235.331 2.079 20 0 BEADMN CC[C@@]1(C)C[C@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001548816583 990790743 /nfs/dbraw/zinc/79/07/43/990790743.db2.gz HOAIOGFGOYRZNN-GWCFXTLKSA-N 0 1 235.331 2.079 20 0 BEADMN COc1cc(NC(=O)c2[nH]cnc2C)ccc1F ZINC001556218424 990812597 /nfs/dbraw/zinc/81/25/97/990812597.db2.gz GAMCLSPLXOSBQA-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COc1cccc(CN2CC[C@@](C)(CF)C2)n1 ZINC001137528490 990821664 /nfs/dbraw/zinc/82/16/64/990821664.db2.gz IGZZSCWLXMJPNP-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN C[N@@H+](CCc1cccc(F)c1)Cc1cncnc1 ZINC001137670366 990838118 /nfs/dbraw/zinc/83/81/18/990838118.db2.gz NBSJUYFPHMYTGD-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cncnc1 ZINC001137670366 990838124 /nfs/dbraw/zinc/83/81/24/990838124.db2.gz NBSJUYFPHMYTGD-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN Fc1ccc(CN2CCC3(CC3)C2)cn1 ZINC001137736564 990844861 /nfs/dbraw/zinc/84/48/61/990844861.db2.gz TYVCTVCMOGYDEN-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN CC/C=C\CNC(=O)c1cccc2nc[nH]c21 ZINC001556772327 990852687 /nfs/dbraw/zinc/85/26/87/990852687.db2.gz DUWBMONRXPULCW-ARJAWSKDSA-N 0 1 229.283 2.259 20 0 BEADMN CC[N@@H+](C)Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138187656 990898162 /nfs/dbraw/zinc/89/81/62/990898162.db2.gz VCMFUJHGIAFGAA-UHFFFAOYSA-N 0 1 246.310 2.178 20 0 BEADMN Oc1cc(O)cc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001138332767 990920381 /nfs/dbraw/zinc/92/03/81/990920381.db2.gz IHMAKKWTVXMMNM-MFKMUULPSA-N 0 1 219.284 2.082 20 0 BEADMN Oc1cc(O)cc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001138332765 990921885 /nfs/dbraw/zinc/92/18/85/990921885.db2.gz IHMAKKWTVXMMNM-GXFFZTMASA-N 0 1 219.284 2.082 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001138391468 990928741 /nfs/dbraw/zinc/92/87/41/990928741.db2.gz MFVMLDOBBQSATR-JTQLQIEISA-N 0 1 224.279 2.111 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCC[C@H](F)CC1 ZINC001138391468 990928746 /nfs/dbraw/zinc/92/87/46/990928746.db2.gz MFVMLDOBBQSATR-JTQLQIEISA-N 0 1 224.279 2.111 20 0 BEADMN COc1cc(C)c(CN2CCC2)cc1OC ZINC001138435897 990946396 /nfs/dbraw/zinc/94/63/96/990946396.db2.gz PZWGIBNZDLJQNO-UHFFFAOYSA-N 0 1 221.300 2.218 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC[C@H]2CC)[nH]1 ZINC001558497572 990952518 /nfs/dbraw/zinc/95/25/18/990952518.db2.gz UPCQXMBWDORVMU-PWSUYJOCSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ncc(CNC(=O)c2cscc2C)[nH]1 ZINC001558497688 990952835 /nfs/dbraw/zinc/95/28/35/990952835.db2.gz ZCPLEQRNBGMARC-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN Cc1cccc(O[C@@H](C)CNCc2cc[nH]n2)c1 ZINC001308275645 990955059 /nfs/dbraw/zinc/95/50/59/990955059.db2.gz UGVZHAYTJHRBSR-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1cc(CNCc2cc3cnccc3o2)[nH]n1 ZINC001308286273 990960173 /nfs/dbraw/zinc/96/01/73/990960173.db2.gz ZVUZBCKEZZXLDQ-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CCN(C)C(=O)C1 ZINC001258065186 990961438 /nfs/dbraw/zinc/96/14/38/990961438.db2.gz UUNMRCODJWUNAP-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](COC)NCc1c(Cl)ncn1CC ZINC001308284653 990961562 /nfs/dbraw/zinc/96/15/62/990961562.db2.gz LNFHHQAPHRJECW-SECBINFHSA-N 0 1 245.754 2.071 20 0 BEADMN CCCSCC(=O)Nc1ccc2cncn2c1 ZINC001558590046 990971362 /nfs/dbraw/zinc/97/13/62/990971362.db2.gz VUIALNFSASYTFN-UHFFFAOYSA-N 0 1 249.339 2.416 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1ccns1 ZINC001558590158 990971459 /nfs/dbraw/zinc/97/14/59/990971459.db2.gz ANMHASQOPDLNHV-UHFFFAOYSA-N 0 1 244.279 2.043 20 0 BEADMN CC(C)=CCC[C@H](C)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258079121 990976456 /nfs/dbraw/zinc/97/64/56/990976456.db2.gz KOLCKRTZAMXSAY-WPRPVWTQSA-N 0 1 242.344 2.020 20 0 BEADMN CC(C)=CCC[C@@H](C)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258079118 990979390 /nfs/dbraw/zinc/97/93/90/990979390.db2.gz KOLCKRTZAMXSAY-PSASIEDQSA-N 0 1 242.344 2.020 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC[C@H](F)C2)n1 ZINC001308448104 990996188 /nfs/dbraw/zinc/99/61/88/990996188.db2.gz WYZBGGVMCYQXLP-IUCAKERBSA-N 0 1 245.729 2.444 20 0 BEADMN CCSc1ncc(CN(C)CC)cn1 ZINC001138651320 990996429 /nfs/dbraw/zinc/99/64/29/990996429.db2.gz NBJCSSCORHBLCC-UHFFFAOYSA-N 0 1 211.334 2.040 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCNC(=O)C1(C)C ZINC001258094998 991000244 /nfs/dbraw/zinc/00/02/44/991000244.db2.gz WPIRURDJOPFBDK-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN Cc1ccc2[nH]c(NCc3ccon3)nc2c1 ZINC001308501045 991009528 /nfs/dbraw/zinc/00/95/28/991009528.db2.gz KTFHHKZRYKJPIN-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CC(N(C)C(C)=O)C1 ZINC001258099780 991012321 /nfs/dbraw/zinc/01/23/21/991012321.db2.gz RGBZBGNVUUIVIH-GFCCVEGCSA-N 0 1 238.375 2.284 20 0 BEADMN CSc1ncc(CN2CCC[C@H]2C)cn1 ZINC001138700329 991012655 /nfs/dbraw/zinc/01/26/55/991012655.db2.gz GARWASZWDGCKKJ-SECBINFHSA-N 0 1 223.345 2.183 20 0 BEADMN CCn1ccc(CNC(C)(C)CSC)n1 ZINC001308543423 991024630 /nfs/dbraw/zinc/02/46/30/991024630.db2.gz IXTGUKXBRXLONI-UHFFFAOYSA-N 0 1 227.377 2.134 20 0 BEADMN CCc1cnc(CNCC(C)(C)[C@H](C)O)s1 ZINC001308541532 991027850 /nfs/dbraw/zinc/02/78/50/991027850.db2.gz YUKMEVOSNVIENN-VIFPVBQESA-N 0 1 242.388 2.202 20 0 BEADMN C[C@H]1C[C@H](N[C@H]2CCSC2=O)C[C@@H](C)C1 ZINC001258151278 991032265 /nfs/dbraw/zinc/03/22/65/991032265.db2.gz IDUWCVCOUBGYHZ-ZDCRXTMVSA-N 0 1 227.373 2.433 20 0 BEADMN Cn1c2ccc(F)cc2nc1NCc1cnc[nH]1 ZINC001308555061 991034571 /nfs/dbraw/zinc/03/45/71/991034571.db2.gz UWIZQSDVQQYFSZ-UHFFFAOYSA-N 0 1 245.261 2.048 20 0 BEADMN C1=CCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138763163 991035253 /nfs/dbraw/zinc/03/52/53/991035253.db2.gz BCTGASRPXVHDMQ-UHFFFAOYSA-N 0 1 239.322 2.303 20 0 BEADMN CO[C@H](C)CN(Cc1ncccc1F)C(C)C ZINC001308566727 991040226 /nfs/dbraw/zinc/04/02/26/991040226.db2.gz GEJCFVDIAZBIJR-LLVKDONJSA-N 0 1 240.322 2.466 20 0 BEADMN CCC[N@@H+](C)Cc1cccc2ccnn21 ZINC001138804771 991061500 /nfs/dbraw/zinc/06/15/00/991061500.db2.gz VZPQBUWDXQJFPL-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN CCc1ncc(CNc2ccnc(C(C)C)n2)[nH]1 ZINC001559290174 991065574 /nfs/dbraw/zinc/06/55/74/991065574.db2.gz GVLOWNDAXFUEQY-UHFFFAOYSA-N 0 1 245.330 2.498 20 0 BEADMN c1cc2ncnc(SCc3c[nH]nn3)c2s1 ZINC001559350349 991075428 /nfs/dbraw/zinc/07/54/28/991075428.db2.gz HYDCBINJFJLXEP-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN CCCCCN(C)Cc1cc(C)n(C)n1 ZINC001138826640 991080657 /nfs/dbraw/zinc/08/06/57/991080657.db2.gz KUIYNOUNHGBHRV-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN Cc1cc(CN2CC3CCC2CC3)nn1C ZINC001138830785 991080940 /nfs/dbraw/zinc/08/09/40/991080940.db2.gz NSWPHQQJQIDEGT-UHFFFAOYSA-N 0 1 219.332 2.103 20 0 BEADMN C[C@H](CC(F)(F)F)NCc1cccnc1N ZINC001308668732 991091239 /nfs/dbraw/zinc/09/12/39/991091239.db2.gz PXANBLRMNMCHLH-SSDOTTSWSA-N 0 1 233.237 2.094 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H]3CCC[C@H]3C2)n1 ZINC001138936456 991102968 /nfs/dbraw/zinc/10/29/68/991102968.db2.gz JIVSNIKIXCVOEJ-RYUDHWBXSA-N 0 1 219.332 2.340 20 0 BEADMN Cc1c[nH]c(CN2CCCCC23CC3)n1 ZINC001138939141 991103298 /nfs/dbraw/zinc/10/32/98/991103298.db2.gz GXJBKBSODAZXDH-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN Cc1c[nH]c(CN(C)CC2CC(F)(F)C2)n1 ZINC001138939140 991104915 /nfs/dbraw/zinc/10/49/15/991104915.db2.gz GWDJXOXJNGZALC-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCc2cnn(C)c2C1 ZINC001258196776 991110363 /nfs/dbraw/zinc/11/03/63/991110363.db2.gz ZRRNNLGZGLTKDA-NSHDSACASA-N 0 1 245.326 2.002 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CCCOC3)CC2)n1 ZINC001138938584 991110857 /nfs/dbraw/zinc/11/08/57/991110857.db2.gz YCFIVLAERQHRAF-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN CN(C)Cc1c2cc[nH]c2ncc1Cl ZINC001138947374 991112733 /nfs/dbraw/zinc/11/27/33/991112733.db2.gz ZQWUSHZTQFYKKI-UHFFFAOYSA-N 0 1 209.680 2.230 20 0 BEADMN CCc1coc(CN[C@@H](C)CCSC)n1 ZINC001258198439 991115787 /nfs/dbraw/zinc/11/57/87/991115787.db2.gz KWNWFSORWPGAAX-VIFPVBQESA-N 0 1 228.361 2.468 20 0 BEADMN CO[C@H]([C@@H](C)NCc1ncccc1F)C1CC1 ZINC001308766825 991124076 /nfs/dbraw/zinc/12/40/76/991124076.db2.gz UKMXKIXZVZFKAQ-NOZJJQNGSA-N 0 1 238.306 2.124 20 0 BEADMN CSCC[C@@H](C)NCc1nccc(Cl)n1 ZINC001258205647 991125005 /nfs/dbraw/zinc/12/50/05/991125005.db2.gz KVKUDSCSDUELEY-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN CC[C@@H]1CCC[C@@H](CN2CC(=O)N[C@H](C)C2)C1 ZINC001308778313 991132679 /nfs/dbraw/zinc/13/26/79/991132679.db2.gz ILCKAKDNLFFSJB-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CN1CC2(C1)CN(Cc1cc3ccccc3o1)C2 ZINC001139065834 991137399 /nfs/dbraw/zinc/13/73/99/991137399.db2.gz SNSCGVPUUKEXJX-UHFFFAOYSA-N 0 1 242.322 2.180 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@H](C)CCSC ZINC001258223271 991150671 /nfs/dbraw/zinc/15/06/71/991150671.db2.gz YECNHODMCAXNNF-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H]1COCCN1Cc1cccc2c1ccn2C ZINC001139157735 991171230 /nfs/dbraw/zinc/17/12/30/991171230.db2.gz RBMPTRPOODOJIS-GFCCVEGCSA-N 0 1 244.338 2.399 20 0 BEADMN CC(=O)CN(C)Cc1cccc2c1ccn2C ZINC001139157141 991172921 /nfs/dbraw/zinc/17/29/21/991172921.db2.gz LXCYPLJPMRHCIN-UHFFFAOYSA-N 0 1 230.311 2.199 20 0 BEADMN CCN(Cc1ccc2cccnc2c1)C1COC1 ZINC001139168776 991179110 /nfs/dbraw/zinc/17/91/10/991179110.db2.gz WWQNPRJCCVKZPM-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CCN1CCC[C@@H](NCC(F)(F)CC)C1 ZINC001308865833 991186914 /nfs/dbraw/zinc/18/69/14/991186914.db2.gz RKDQCFCSFWCACA-SNVBAGLBSA-N 0 1 220.307 2.106 20 0 BEADMN C[C@H]1CCN1Cc1ccc2nsnc2c1 ZINC001139209808 991196673 /nfs/dbraw/zinc/19/66/73/991196673.db2.gz AIVKWCOSIOWUEZ-QMMMGPOBSA-N 0 1 219.313 2.286 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CCCC(C)(C)C1 ZINC001258298550 991237430 /nfs/dbraw/zinc/23/74/30/991237430.db2.gz QBQXDTDJIGCLHM-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCCn1ncnc1CN1CC[C@H](CC)[C@@H]1C ZINC001559767893 991249533 /nfs/dbraw/zinc/24/95/33/991249533.db2.gz AUPBXXJPYQHXOB-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN O=c1ccc(CN2CC[C@H](C(F)(F)F)C2)c[nH]1 ZINC001139468741 991251110 /nfs/dbraw/zinc/25/11/10/991251110.db2.gz QWDXTCLKFNEAKW-VIFPVBQESA-N 0 1 246.232 2.171 20 0 BEADMN c1ccc(OC2CN(CC[C@@H]3CCOC3)C2)cc1 ZINC001308988923 991255910 /nfs/dbraw/zinc/25/59/10/991255910.db2.gz DNWJPOOUPYDGKK-CYBMUJFWSA-N 0 1 247.338 2.176 20 0 BEADMN CC(=O)CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC001139552948 991264898 /nfs/dbraw/zinc/26/48/98/991264898.db2.gz BZCVIPVTBNXDML-UHFFFAOYSA-N 0 1 243.310 2.098 20 0 BEADMN c1nc(-c2ccccc2)[nH]c1CN1CCC1 ZINC001139551308 991266293 /nfs/dbraw/zinc/26/62/93/991266293.db2.gz ZGGVWQHOXHRABV-UHFFFAOYSA-N 0 1 213.284 2.282 20 0 BEADMN O[C@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC001139547546 991267290 /nfs/dbraw/zinc/26/72/90/991267290.db2.gz KJLVROQOQATGTR-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN CN(Cc1cn2c(cccc2F)n1)C1CC1 ZINC001139569693 991271275 /nfs/dbraw/zinc/27/12/75/991271275.db2.gz GIVAOZZZTPCVPF-UHFFFAOYSA-N 0 1 219.263 2.068 20 0 BEADMN C[C@@H](O)[C@@H](C)N1CCc2cccc(Cl)c2C1 ZINC001559897944 991310544 /nfs/dbraw/zinc/31/05/44/991310544.db2.gz BUVPJLLOXWASGA-NXEZZACHSA-N 0 1 239.746 2.467 20 0 BEADMN Cc1cc(O)cc(C)c1CN(C)C1(C)COC1 ZINC001139714607 991335946 /nfs/dbraw/zinc/33/59/46/991335946.db2.gz GJHMVIZOVLCQNQ-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN COc1ccc(CC[C@@H](C)N2CC(OC)C2)cc1 ZINC001258398534 991345415 /nfs/dbraw/zinc/34/54/15/991345415.db2.gz XKBVKLGSYBDGIR-GFCCVEGCSA-N 0 1 249.354 2.347 20 0 BEADMN CCC1(CN2Cc3ccc(OC)cc3C2)COC1 ZINC001202962161 991345822 /nfs/dbraw/zinc/34/58/22/991345822.db2.gz BLYYIEGTTDQKFU-UHFFFAOYSA-N 0 1 247.338 2.437 20 0 BEADMN C[C@H]1CCCN(Cc2cnc3c(c2)OCCO3)C1 ZINC001139730521 991347429 /nfs/dbraw/zinc/34/74/29/991347429.db2.gz BHHKTJHXZCGSPQ-NSHDSACASA-N 0 1 248.326 2.085 20 0 BEADMN CCC1(CN2CCC[C@@H]2c2ncccn2)COC1 ZINC001202968960 991355066 /nfs/dbraw/zinc/35/50/66/991355066.db2.gz MNQPRFLIDPIIEF-GFCCVEGCSA-N 0 1 247.342 2.040 20 0 BEADMN CCCCC[C@@H](CC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258427757 991356827 /nfs/dbraw/zinc/35/68/27/991356827.db2.gz GWMVYWSHSTVOSB-PSASIEDQSA-N 0 1 244.360 2.244 20 0 BEADMN COc1ncc(CN2CCC3(CC3)C2)s1 ZINC001139813590 991377695 /nfs/dbraw/zinc/37/76/95/991377695.db2.gz QZEQBWJFDRYIKT-UHFFFAOYSA-N 0 1 224.329 2.138 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](O)[C@H](C)C2)s1 ZINC001139808969 991378306 /nfs/dbraw/zinc/37/83/06/991378306.db2.gz IFWLYKUZAXPLNM-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN CCCN(CCOC)Cc1cnc(OC)s1 ZINC001139814587 991383238 /nfs/dbraw/zinc/38/32/38/991383238.db2.gz JVVZRSYYPQGIJB-UHFFFAOYSA-N 0 1 244.360 2.010 20 0 BEADMN CC(C)O[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC001139835870 991393555 /nfs/dbraw/zinc/39/35/55/991393555.db2.gz QPYVAJYCJJDAMP-LBPRGKRZSA-N 0 1 238.306 2.220 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccnc(F)c3)C[C@@H]12 ZINC001139837461 991394472 /nfs/dbraw/zinc/39/44/72/991394472.db2.gz DMTOILNRNDEJMU-NWDGAFQWSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1nc([C@H]2CCCN2CC2(C)COC2)[nH]c1C ZINC001560136874 991394788 /nfs/dbraw/zinc/39/47/88/991394788.db2.gz JEICTUZRMJQQDF-GFCCVEGCSA-N 0 1 249.358 2.200 20 0 BEADMN CCN(CCn1cccn1)Cc1ccc(C)cn1 ZINC001139840432 991399332 /nfs/dbraw/zinc/39/93/32/991399332.db2.gz QQEWUUSOIMCQDX-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN Cc1ccc(CN2CCC[C@@]3(CCO3)C2)nc1 ZINC001139840544 991401308 /nfs/dbraw/zinc/40/13/08/991401308.db2.gz XQOWVJXJDZUKMH-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN CC(F)(F)CN1CCN(CC2(C)CCC2)CC1 ZINC001560174702 991406018 /nfs/dbraw/zinc/40/60/18/991406018.db2.gz UAWNYZYMECHBAM-UHFFFAOYSA-N 0 1 246.345 2.449 20 0 BEADMN C[C@@H]1CN(Cc2ccc3cnn(C)c3c2)C[C@@H]1F ZINC001139903691 991412970 /nfs/dbraw/zinc/41/29/70/991412970.db2.gz CNTIJUBVSXLBLE-MFKMUULPSA-N 0 1 247.317 2.363 20 0 BEADMN Cn1ncc2ccc(CN3CC(C)(C)C3)cc21 ZINC001139904347 991413996 /nfs/dbraw/zinc/41/39/96/991413996.db2.gz OKAKNMJEVUYGLU-UHFFFAOYSA-N 0 1 229.327 2.415 20 0 BEADMN COc1ccc(CN2CCC[C@@H]2C)c(OC)n1 ZINC001139917351 991416093 /nfs/dbraw/zinc/41/60/93/991416093.db2.gz UDCWHPBOJKZCKU-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN COc1ncnc2c1CCN([C@@H](C)CC1CC1)C2 ZINC001258467800 991431638 /nfs/dbraw/zinc/43/16/38/991431638.db2.gz NJDSUCHIPLCRQV-JTQLQIEISA-N 0 1 247.342 2.032 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1CCC[C@@H](F)C1 ZINC001258494635 991461550 /nfs/dbraw/zinc/46/15/50/991461550.db2.gz KFRTZVVPKZLCBH-GHMZBOCLSA-N 0 1 231.311 2.152 20 0 BEADMN c1cc(CNc2ccc3nn[nH]c3c2)sn1 ZINC001560380748 991465188 /nfs/dbraw/zinc/46/51/88/991465188.db2.gz BKTPFOCRZPZQGN-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN c1cc(CNc2ccc3n[nH]nc3c2)sn1 ZINC001560380748 991465198 /nfs/dbraw/zinc/46/51/98/991465198.db2.gz BKTPFOCRZPZQGN-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(Cl)nc2)C1 ZINC001139994913 991473059 /nfs/dbraw/zinc/47/30/59/991473059.db2.gz UFMMALDEFPWLCP-SECBINFHSA-N 0 1 225.723 2.362 20 0 BEADMN Nc1nccnc1CN1CCCC2(CCCC2)C1 ZINC001140011517 991483300 /nfs/dbraw/zinc/48/33/00/991483300.db2.gz QLVYZBDULINIEE-UHFFFAOYSA-N 0 1 246.358 2.215 20 0 BEADMN CCn1ccc(CNC[C@@]2(C)CC2(F)F)n1 ZINC001560536618 991496788 /nfs/dbraw/zinc/49/67/88/991496788.db2.gz PRRJGAIESDNFMZ-SNVBAGLBSA-N 0 1 229.274 2.038 20 0 BEADMN CCN(Cc1cc(O)ccc1F)CC(C)(C)O ZINC001140051886 991501487 /nfs/dbraw/zinc/50/14/87/991501487.db2.gz WVRWAVIAZWAXAT-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN O[C@H]1CCCC[C@H]1CCNCc1nccs1 ZINC001560605404 991512049 /nfs/dbraw/zinc/51/20/49/991512049.db2.gz OJYFZVZALXUFSV-QWRGUYRKSA-N 0 1 240.372 2.174 20 0 BEADMN C[C@]1(O)CCN(Cc2ccc(O)cc2Cl)C1 ZINC001140082403 991512677 /nfs/dbraw/zinc/51/26/77/991512677.db2.gz SUFLNDHAFKMUBE-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN C[C@]1(CF)CCN(Cc2cccc(F)n2)C1 ZINC001140131241 991532867 /nfs/dbraw/zinc/53/28/67/991532867.db2.gz JACYFNBNMBHWQG-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCCC(=O)[C@@H](C)C1 ZINC001258622106 991551079 /nfs/dbraw/zinc/55/10/79/991551079.db2.gz HDNRFPIMRUHMER-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCCC(=O)CC1 ZINC001258623857 991560727 /nfs/dbraw/zinc/56/07/27/991560727.db2.gz JLEVKMUKXYTHAY-LBPRGKRZSA-N 0 1 232.327 2.068 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001258629584 991569656 /nfs/dbraw/zinc/56/96/56/991569656.db2.gz CZYFZSAZPHMJEH-AVGNSLFASA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)[C@H]1CN([C@@H](C)Cc2cccnc2)CCO1 ZINC001258635130 991575937 /nfs/dbraw/zinc/57/59/37/991575937.db2.gz XELJNFGZDRJPJG-DZGCQCFKSA-N 0 1 248.370 2.369 20 0 BEADMN C[C@H](Cc1cccnc1)N1CC(C(F)F)C1 ZINC001258633241 991578495 /nfs/dbraw/zinc/57/84/95/991578495.db2.gz RQADXKXZDFQVKB-SECBINFHSA-N 0 1 226.270 2.210 20 0 BEADMN CCCCC[C@H](CCC)n1nnnc1CN ZINC001258665335 991584048 /nfs/dbraw/zinc/58/40/48/991584048.db2.gz XMWQUEDQGDZASD-JTQLQIEISA-N 0 1 225.340 2.053 20 0 BEADMN C[N@H+](Cc1ccncc1[O-])C[C@H]1CC1(C)C ZINC001140276971 991590451 /nfs/dbraw/zinc/59/04/51/991590451.db2.gz ONGJXGAGULHPOV-LLVKDONJSA-N 0 1 220.316 2.265 20 0 BEADMN CCC(CC)[N@@H+](C)Cc1ccncc1[O-] ZINC001140276587 991590809 /nfs/dbraw/zinc/59/08/09/991590809.db2.gz GZHCMMRDBKBJEK-UHFFFAOYSA-N 0 1 208.305 2.408 20 0 BEADMN C[N@@H+](Cc1ccncc1[O-])C1CCCC1 ZINC001140277765 991599371 /nfs/dbraw/zinc/59/93/71/991599371.db2.gz KTKAHCUONGPAMT-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN FC1CC2(C1)CCN(Cc1ccncn1)CC2 ZINC001140342979 991612046 /nfs/dbraw/zinc/61/20/46/991612046.db2.gz GRQUSAARDQAZOU-UHFFFAOYSA-N 0 1 235.306 2.191 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)Cc1ccno1 ZINC001560831146 991613371 /nfs/dbraw/zinc/61/33/71/991613371.db2.gz GGZWAMSOMLVYHY-MNOVXSKESA-N 0 1 248.330 2.173 20 0 BEADMN C[N@H+](Cc1ccncn1)CC1CCCCC1 ZINC001140347935 991617497 /nfs/dbraw/zinc/61/74/97/991617497.db2.gz BTEXALMZMFMGLW-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN Cc1cn(C)nc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC001560868263 991628562 /nfs/dbraw/zinc/62/85/62/991628562.db2.gz BCTVEXNTGSIRCM-AWEZNQCLSA-N 0 1 245.370 2.493 20 0 BEADMN F[C@H]1CCCN(Cc2ccc3n[nH]cc3c2)C1 ZINC001140386620 991631233 /nfs/dbraw/zinc/63/12/33/991631233.db2.gz UHCPUFNVABOJSY-LBPRGKRZSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1nc(CO)cs1 ZINC001560888773 991638070 /nfs/dbraw/zinc/63/80/70/991638070.db2.gz IAUMLLQBODVXRG-SECBINFHSA-N 0 1 240.372 2.256 20 0 BEADMN COCCN(C)Cc1nc(Cl)ccc1C ZINC001140442083 991641099 /nfs/dbraw/zinc/64/10/99/991641099.db2.gz XHBIBMSXGQKLIO-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN Cc1ccc(Cl)nc1CN1CCC[C@H]1CO ZINC001140442981 991641689 /nfs/dbraw/zinc/64/16/89/991641689.db2.gz WAKORXXEISOLER-JTQLQIEISA-N 0 1 240.734 2.000 20 0 BEADMN COc1cc(F)cc(CN2CC[C@H]2C)c1 ZINC001140477668 991650665 /nfs/dbraw/zinc/65/06/65/991650665.db2.gz JGXLEBSPWXZXAQ-SECBINFHSA-N 0 1 209.264 2.429 20 0 BEADMN Cc1[nH]c(C[N@H+]2CCCC23CC3)c(C)c1C(=O)[O-] ZINC001140493585 991653737 /nfs/dbraw/zinc/65/37/37/991653737.db2.gz DQNWBYPMVHXVCW-UHFFFAOYSA-N 0 1 248.326 2.458 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CCC[C@@H]2C)c(C)c1C(=O)[O-] ZINC001140493589 991654889 /nfs/dbraw/zinc/65/48/89/991654889.db2.gz DXISGWGENPZFAG-QMMMGPOBSA-N 0 1 236.315 2.314 20 0 BEADMN Cc1cc(CN2CCSCC2)ccc1O ZINC001140573073 991673484 /nfs/dbraw/zinc/67/34/84/991673484.db2.gz DHJRNAXFSMBPIS-UHFFFAOYSA-N 0 1 223.341 2.249 20 0 BEADMN Fc1cccnc1CN[C@]12CCC[C@H]1OCC2 ZINC001560980909 991675989 /nfs/dbraw/zinc/67/59/89/991675989.db2.gz FOYRIWSXQHPEBQ-OLZOCXBDSA-N 0 1 236.290 2.022 20 0 BEADMN CN(Cc1cn(C2CCC2)nn1)CC1CCC1 ZINC001561034405 991695241 /nfs/dbraw/zinc/69/52/41/991695241.db2.gz PEEBJDXITLWTJU-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN CCCC[C@H](CCC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258753234 991697075 /nfs/dbraw/zinc/69/70/75/991697075.db2.gz WRSRZBDHDLGFJY-WPRPVWTQSA-N 0 1 244.360 2.244 20 0 BEADMN CCCC[C@@H](CCC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258753231 991697489 /nfs/dbraw/zinc/69/74/89/991697489.db2.gz WRSRZBDHDLGFJY-PSASIEDQSA-N 0 1 244.360 2.244 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598412068 991737126 /nfs/dbraw/zinc/73/71/26/991737126.db2.gz YFSLJFZEARDGEH-QWHCGFSZSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258778587 991745368 /nfs/dbraw/zinc/74/53/68/991745368.db2.gz IGZXKDDSDVSMIN-XKSSXDPKSA-N 0 1 244.360 2.100 20 0 BEADMN CC(C)(C)N1CCN(C(=O)C=C2CCC2)CC1 ZINC001319044249 991772808 /nfs/dbraw/zinc/77/28/08/991772808.db2.gz BULBALYJBDKQQT-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1noc(C)c1CSc1nnc(C)[nH]1 ZINC001319081865 991784981 /nfs/dbraw/zinc/78/49/81/991784981.db2.gz MGFZTZBKBMKGJF-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CC[C@H](C[C@@H](C)CC)N1CCn2nncc2C1 ZINC001258798122 991790927 /nfs/dbraw/zinc/79/09/27/991790927.db2.gz QWJGRRSMZMROBX-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001591120181 991791274 /nfs/dbraw/zinc/79/12/74/991791274.db2.gz LPDGOZNMKGTPFI-GARJFASQSA-N 0 1 231.311 2.166 20 0 BEADMN CCCC(C)(C)C(=O)N(C)C[C@H]1CCN1CC ZINC001565825827 991812269 /nfs/dbraw/zinc/81/22/69/991812269.db2.gz ZTCXIOXHYCGDNC-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(C(=O)c1cnc(C(C)C)[nH]1)C(C)C ZINC001319262368 991828000 /nfs/dbraw/zinc/82/80/00/991828000.db2.gz XIVDGRDBVZUWLD-UHFFFAOYSA-N 0 1 223.320 2.404 20 0 BEADMN CCCC1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001319303175 991835423 /nfs/dbraw/zinc/83/54/23/991835423.db2.gz GDPBVHCSIFOUEQ-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN O=C(/C=C\C1CCCCC1)NCCN1CC=CC1 ZINC001319321019 991838445 /nfs/dbraw/zinc/83/84/45/991838445.db2.gz OGXUMWMKNHBQBR-HJWRWDBZSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@H]1CCC[C@@H](N2CCc3cnn(C)c3C2)C1 ZINC001258826215 991850875 /nfs/dbraw/zinc/85/08/75/991850875.db2.gz BWORIZSWAIFWRO-WCQYABFASA-N 0 1 233.359 2.357 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC(C(C)C)C2)[nH]1 ZINC001319456833 991872216 /nfs/dbraw/zinc/87/22/16/991872216.db2.gz FRVKFSZFWCITAZ-UHFFFAOYSA-N 0 1 235.331 2.261 20 0 BEADMN COc1ccccc1C[C@@H](C)N1CCO[C@@H](C)C1 ZINC001258887877 991888877 /nfs/dbraw/zinc/88/88/77/991888877.db2.gz HGXSVBKMCJEGPU-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H](C3CC3)C2)[nH]1 ZINC001319624325 991910492 /nfs/dbraw/zinc/91/04/92/991910492.db2.gz GRDQOQLEDZZPAZ-LLVKDONJSA-N 0 1 247.342 2.405 20 0 BEADMN C=C/C=C\CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC001567068286 991938297 /nfs/dbraw/zinc/93/82/97/991938297.db2.gz FBMDXHGFXISZQL-YMVSPQSISA-N 0 1 236.359 2.060 20 0 BEADMN C[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCC1 ZINC001598456468 991940785 /nfs/dbraw/zinc/94/07/85/991940785.db2.gz VQZAKABRMUWRAJ-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(CNc2cccc3c2OCCO3)n[nH]1 ZINC001319747648 991959302 /nfs/dbraw/zinc/95/93/02/991959302.db2.gz WFPSORDNCNLCTI-UHFFFAOYSA-N 0 1 245.282 2.101 20 0 BEADMN C=CC=CCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001567328188 992019709 /nfs/dbraw/zinc/01/97/09/992019709.db2.gz ORJCMSFXQSQZEA-ONEGZZNKSA-N 0 1 232.287 2.143 20 0 BEADMN C=CC=CCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001567328188 992019720 /nfs/dbraw/zinc/01/97/20/992019720.db2.gz ORJCMSFXQSQZEA-ONEGZZNKSA-N 0 1 232.287 2.143 20 0 BEADMN Cc1n[nH]c(=O)c(CN[C@H](C)c2ccco2)c1C ZINC001319896705 992024438 /nfs/dbraw/zinc/02/44/38/992024438.db2.gz SPYBSONXLMFRHH-SNVBAGLBSA-N 0 1 247.298 2.243 20 0 BEADMN CC/C(C)=C\C(=O)NC1CN(CCC(C)C)C1 ZINC001567791303 992095741 /nfs/dbraw/zinc/09/57/41/992095741.db2.gz IXOSOFKANNMFAH-WQLSENKSSA-N 0 1 238.375 2.189 20 0 BEADMN CC/C(C)=C/C(=O)NC1CN(CCC(C)C)C1 ZINC001567791304 992095850 /nfs/dbraw/zinc/09/58/50/992095850.db2.gz IXOSOFKANNMFAH-XYOKQWHBSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1c(C(=O)OCC2CC2)ccc2cncn21 ZINC001320178668 992121203 /nfs/dbraw/zinc/12/12/03/992121203.db2.gz WPGRMBQVMVADEP-UHFFFAOYSA-N 0 1 230.267 2.210 20 0 BEADMN CC(C)(C)Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320208387 992131795 /nfs/dbraw/zinc/13/17/95/992131795.db2.gz XCCMJECXBCZDBT-LLVKDONJSA-N 0 1 249.358 2.467 20 0 BEADMN CC/C=C\CCN(CC(=O)OC)CC(C)C ZINC001320279126 992153350 /nfs/dbraw/zinc/15/33/50/992153350.db2.gz HLPKBDUMNGAJCL-SREVYHEPSA-N 0 1 227.348 2.474 20 0 BEADMN CCC1(c2nc([C@@H]3CN4CCC3CC4)no2)CC1 ZINC001320325723 992171552 /nfs/dbraw/zinc/17/15/52/992171552.db2.gz AEWVDEBQRUWLDD-LLVKDONJSA-N 0 1 247.342 2.320 20 0 BEADMN CCc1nnc(CN(CC)C(C)(C)C)o1 ZINC001261258974 992231825 /nfs/dbraw/zinc/23/18/25/992231825.db2.gz SXLJHXFGLVEGCL-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN Cc1cccc(-c2nc3cccnc3c(=O)[nH]2)n1 ZINC000491853598 992261757 /nfs/dbraw/zinc/26/17/57/992261757.db2.gz QIYVCPPEGKSRIO-UHFFFAOYSA-N 0 1 238.250 2.101 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CC[C@@]12CCOC2 ZINC001261387101 992288350 /nfs/dbraw/zinc/28/83/50/992288350.db2.gz QWVGTCVPDPXGJO-IUCAKERBSA-N 0 1 236.142 2.045 20 0 BEADMN CCCCN1CC(N(C)C(=O)CCC2CC2)C1 ZINC001569486824 992393707 /nfs/dbraw/zinc/39/37/07/992393707.db2.gz ILYWYIBUUYGHKM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)OCc1nnc[nH]1 ZINC001261587840 992409649 /nfs/dbraw/zinc/40/96/49/992409649.db2.gz LQVSIKOSQAFDOM-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CC=CC1 ZINC001570105785 992442034 /nfs/dbraw/zinc/44/20/34/992442034.db2.gz MMZWWXMKNYKOIT-UHFFFAOYSA-N 0 1 247.685 2.228 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC001261676792 992459698 /nfs/dbraw/zinc/45/96/98/992459698.db2.gz UYEGRPMXZXNNOT-IVZWLZJFSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 ZINC001261676792 992459703 /nfs/dbraw/zinc/45/97/03/992459703.db2.gz UYEGRPMXZXNNOT-IVZWLZJFSA-N 0 1 248.330 2.303 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1cncc(F)c1 ZINC001321198438 992482422 /nfs/dbraw/zinc/48/24/22/992482422.db2.gz ZCMGRCVUFFQRLG-UHFFFAOYSA-N 0 1 248.261 2.149 20 0 BEADMN Cc1cc(CNc2cccc3c2OCC3)n[nH]1 ZINC001261830432 992528831 /nfs/dbraw/zinc/52/88/31/992528831.db2.gz WPCLWHHHEPRCME-UHFFFAOYSA-N 0 1 229.283 2.265 20 0 BEADMN Cn1cc(C[N@@H+](C)CC(C)(C)C)cc1C(=O)[O-] ZINC001598507844 992530762 /nfs/dbraw/zinc/53/07/62/992530762.db2.gz ZIMBQUFTQNFGQL-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN CCON(CC)C(=O)c1ccc2cncn2c1C ZINC001261913767 992578707 /nfs/dbraw/zinc/57/87/07/992578707.db2.gz GQGRXGQKLMTYQY-UHFFFAOYSA-N 0 1 247.298 2.056 20 0 BEADMN C[C@@H]1CC/C(=C/C(=O)NCc2cc(N)ccn2)C1 ZINC001262048557 992632357 /nfs/dbraw/zinc/63/23/57/992632357.db2.gz WWGZBDZINWHQDB-PAKSIRSJSA-N 0 1 245.326 2.026 20 0 BEADMN CCc1ccc2c(c1)CC[N@H+]([C@H](CC)C(=O)[O-])C2 ZINC001573832477 992728596 /nfs/dbraw/zinc/72/85/96/992728596.db2.gz UPPFUFKTXWHYKO-CQSZACIVSA-N 0 1 247.338 2.470 20 0 BEADMN CNc1ccccc1C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001573910679 992765689 /nfs/dbraw/zinc/76/56/89/992765689.db2.gz ROFQPAVAYYQCFO-SNVBAGLBSA-N 0 1 248.326 2.166 20 0 BEADMN Cc1ccc(CCN[C@@H](C)c2cnn(C)n2)cc1 ZINC001262201684 992794890 /nfs/dbraw/zinc/79/48/90/992794890.db2.gz CLKTUKLVAGCWMQ-LBPRGKRZSA-N 0 1 244.342 2.017 20 0 BEADMN CNc1ccccc1C[N@@H+](C)CCCC(=O)[O-] ZINC001574038551 992798332 /nfs/dbraw/zinc/79/83/32/992798332.db2.gz UHAXQFBKCATMFP-UHFFFAOYSA-N 0 1 236.315 2.025 20 0 BEADMN CSC(C)(C)CC[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC001574097890 992804969 /nfs/dbraw/zinc/80/49/69/992804969.db2.gz UQUIUCBJFRTEOY-VIFPVBQESA-N 0 1 245.388 2.456 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c(C)o1 ZINC001574134342 992809600 /nfs/dbraw/zinc/80/96/00/992809600.db2.gz KDEQJCBESXUQGF-FRRDWIJNSA-N 0 1 249.310 2.049 20 0 BEADMN Cc1cn(C)nc1CN1CC2CCC1CC2 ZINC001262237006 992813603 /nfs/dbraw/zinc/81/36/03/992813603.db2.gz RBYHCFBXXLWTGO-UHFFFAOYSA-N 0 1 219.332 2.103 20 0 BEADMN Cc1coc(C[N@H+]2C3CCC(CC3)[C@H]2C(=O)[O-])c1 ZINC001574180552 992817938 /nfs/dbraw/zinc/81/79/38/992817938.db2.gz TZHLORWVPUQJTJ-XIVSLSHWSA-N 0 1 249.310 2.416 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1cn[nH]c1 ZINC001262258711 992823699 /nfs/dbraw/zinc/82/36/99/992823699.db2.gz QVBCDUVLBHNAQG-DTWKUNHWSA-N 0 1 234.278 2.356 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001574398618 992854103 /nfs/dbraw/zinc/85/41/03/992854103.db2.gz GRTMEHZKMPKWBA-WCQYUDONSA-N 0 1 249.354 2.360 20 0 BEADMN C[S@@](=O)c1ccc(CNC/C=C/Cl)cc1 ZINC001262378896 992871170 /nfs/dbraw/zinc/87/11/70/992871170.db2.gz NVXIGHXMBQGHGU-MCFICARUSA-N 0 1 243.759 2.266 20 0 BEADMN CCc1csc([C@H](C)N[C@@H](C)[C@@H](C)O)n1 ZINC001262574824 992914199 /nfs/dbraw/zinc/91/41/99/992914199.db2.gz ATQIAFXYTVDLQP-XHNCKOQMSA-N 0 1 228.361 2.125 20 0 BEADMN CCc1csc([C@H](C)NC[C@@H](O)CC)n1 ZINC001262575625 992931195 /nfs/dbraw/zinc/93/11/95/992931195.db2.gz USWQNVJZUKBISF-WPRPVWTQSA-N 0 1 228.361 2.127 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCCSC1 ZINC001262643310 992992895 /nfs/dbraw/zinc/99/28/95/992992895.db2.gz KTBNZCRWATXKON-UHFFFAOYSA-N 0 1 247.323 2.100 20 0 BEADMN CC(C)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001262678348 993017277 /nfs/dbraw/zinc/01/72/77/993017277.db2.gz XKSJGLCFVBQPCB-UHFFFAOYSA-N 0 1 239.750 2.265 20 0 BEADMN Nc1nccc(NC[C@H]2CCc3ccccc32)n1 ZINC001262683529 993025040 /nfs/dbraw/zinc/02/50/40/993025040.db2.gz LWUSWPSLUOZNDN-LLVKDONJSA-N 0 1 240.310 2.201 20 0 BEADMN CC(C)[C@@H](CNCc1ccsc1Cl)ON ZINC001575434897 993044200 /nfs/dbraw/zinc/04/42/00/993044200.db2.gz SLRFVLYHOBUOHS-SECBINFHSA-N 0 1 248.779 2.406 20 0 BEADMN CC[C@H](NC/C=C\C1CC1)c1nccn1C ZINC000378847004 993207105 /nfs/dbraw/zinc/20/71/05/993207105.db2.gz ALTTVOBZVAFHBN-RXNFCKPNSA-N 0 1 219.332 2.427 20 0 BEADMN COCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000379825192 993284424 /nfs/dbraw/zinc/28/44/24/993284424.db2.gz VVJALUUSNDTGNL-UHFFFAOYSA-N 0 1 204.273 2.369 20 0 BEADMN O=C1COc2cc3[nH]c(C4CCC4)nc3cc2N1 ZINC000586883325 993416165 /nfs/dbraw/zinc/41/61/65/993416165.db2.gz BIEZPMAVYJHNQC-UHFFFAOYSA-N 0 1 243.266 2.161 20 0 BEADMN CCc1cnc(CNCCOCC2CC2)s1 ZINC000381765042 993424236 /nfs/dbraw/zinc/42/42/36/993424236.db2.gz VAIZLKJJUMWYNE-UHFFFAOYSA-N 0 1 240.372 2.222 20 0 BEADMN C[C@@H](NC/C=C/C1CC1)c1cnccn1 ZINC000382178247 993443654 /nfs/dbraw/zinc/44/36/54/993443654.db2.gz YPBGPHWQNLRIQG-VMZHVLLKSA-N 0 1 203.289 2.093 20 0 BEADMN CCN(CC(=O)c1cccn1C)C(C)(C)C ZINC000382326356 993451600 /nfs/dbraw/zinc/45/16/00/993451600.db2.gz XHQCGEQFKMTPMX-UHFFFAOYSA-N 0 1 222.332 2.328 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1ccoc1 ZINC001263665659 993456580 /nfs/dbraw/zinc/45/65/80/993456580.db2.gz LBFXODGXVLKUEO-QMMMGPOBSA-N 0 1 220.228 2.229 20 0 BEADMN CC[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587956710 993465769 /nfs/dbraw/zinc/46/57/69/993465769.db2.gz VCMISBJXTDSZBJ-SSDOTTSWSA-N 0 1 245.282 2.407 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)OC(C)C ZINC000383827257 993512799 /nfs/dbraw/zinc/51/27/99/993512799.db2.gz IMMLTUBYFQDFSE-WDEREUQCSA-N 0 1 213.321 2.058 20 0 BEADMN CCCC(=CC(=O)N1CCN[C@@H](C)C1)CCC ZINC001577317611 993591791 /nfs/dbraw/zinc/59/17/91/993591791.db2.gz PDMWQHAJIAKKKT-LBPRGKRZSA-N 0 1 238.375 2.333 20 0 BEADMN Cc1cc(CN(C)[C@H](C)c2c[nH]nn2)cc(C)n1 ZINC001577320811 993593177 /nfs/dbraw/zinc/59/31/77/993593177.db2.gz DFEOUUCFJRLCQE-LLVKDONJSA-N 0 1 245.330 2.010 20 0 BEADMN Fc1cc(F)cc(-c2noc([C@H]3CCN3)n2)c1 ZINC000384812854 993627855 /nfs/dbraw/zinc/62/78/55/993627855.db2.gz HAIFKXWYPMYACB-SECBINFHSA-N 0 1 237.209 2.049 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CCCC1CC1 ZINC001577380152 993633216 /nfs/dbraw/zinc/63/32/16/993633216.db2.gz GPPABNWAHLMQCB-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCC[C@@H](CC)C(=O)N1CCN[C@@H](C)C1 ZINC001577423042 993659667 /nfs/dbraw/zinc/65/96/67/993659667.db2.gz NUBQRNMJWFSUIB-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](F)CN(C)C[C@@H]1CCCCN1C(C)=O ZINC001264736638 993741183 /nfs/dbraw/zinc/74/11/83/993741183.db2.gz YBNRSGOPASZRQO-OLZOCXBDSA-N 0 1 244.354 2.067 20 0 BEADMN CCC(=O)NCCN[C@H](C)c1ccccc1F ZINC000393158924 993904484 /nfs/dbraw/zinc/90/44/84/993904484.db2.gz ISRDCQZBOXRBOV-SNVBAGLBSA-N 0 1 238.306 2.003 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000701705513 993906582 /nfs/dbraw/zinc/90/65/82/993906582.db2.gz ZDWFEIFQWRURDH-SNVBAGLBSA-N 0 1 241.237 2.068 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000701705513 993906594 /nfs/dbraw/zinc/90/65/94/993906594.db2.gz ZDWFEIFQWRURDH-SNVBAGLBSA-N 0 1 241.237 2.068 20 0 BEADMN c1cc(NC2CSC2)nc2c1CCC2 ZINC000702422971 994011473 /nfs/dbraw/zinc/01/14/73/994011473.db2.gz VMRZKAUAVSTTQR-UHFFFAOYSA-N 0 1 206.314 2.098 20 0 BEADMN CC(C)OC(=O)CN1CCCC2(CC2)CC1 ZINC000702547624 994020477 /nfs/dbraw/zinc/02/04/77/994020477.db2.gz RUYNNHSXOWMADN-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1ncc(CN2Cc3ccccc3C2)[nH]1 ZINC000724784961 994073048 /nfs/dbraw/zinc/07/30/48/994073048.db2.gz VJGMAYOZLIIYAN-UHFFFAOYSA-N 0 1 213.284 2.234 20 0 BEADMN CCC(C)(C)C(=O)N(C)CCCN(C)CCF ZINC001280850334 994138977 /nfs/dbraw/zinc/13/89/77/994138977.db2.gz ONTOCLPFVUVCBQ-UHFFFAOYSA-N 0 1 246.370 2.172 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1C[C@@H](C)[C@H]1C ZINC001599645165 994416174 /nfs/dbraw/zinc/41/61/74/994416174.db2.gz PDVGANJRWMEDMC-NXEZZACHSA-N 0 1 249.310 2.234 20 0 BEADMN Cc1cc(CCC(=O)NCCC(C)(C)C)n[nH]1 ZINC001290782274 994560223 /nfs/dbraw/zinc/56/02/23/994560223.db2.gz PKEXAIUFMQVSPA-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN Cc1cnc(C(C)(C)NCCOC2CC2)s1 ZINC001334057443 994569682 /nfs/dbraw/zinc/56/96/82/994569682.db2.gz OONNSGPGFJINHK-UHFFFAOYSA-N 0 1 240.372 2.455 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@@H](C)[C@@H]2C)n[nH]1 ZINC001293919295 994674557 /nfs/dbraw/zinc/67/45/57/994674557.db2.gz PBXUBMDVNQQURD-PWSUYJOCSA-N 0 1 249.358 2.298 20 0 BEADMN C[C@H]([NH2+]Cc1ccco1)c1cc(C(=O)[O-])co1 ZINC001593304656 994751341 /nfs/dbraw/zinc/75/13/41/994751341.db2.gz QOJZONPUESYUIM-QMMMGPOBSA-N 0 1 235.239 2.422 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCCCCC1 ZINC001296199588 994801426 /nfs/dbraw/zinc/80/14/26/994801426.db2.gz ADRAXGFIXZIQFP-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1coc(C(=O)N(C)Cc2cn[nH]c2C)c1C ZINC001336010625 994918725 /nfs/dbraw/zinc/91/87/25/994918725.db2.gz JIRRWMSDDBPSHH-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN Nc1nccc(NC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC001336666221 995072681 /nfs/dbraw/zinc/07/26/81/995072681.db2.gz QINABFKWQDSNPE-QWRGUYRKSA-N 0 1 232.331 2.297 20 0 BEADMN CCC(C)(C)CCNC(=O)c1[nH]ncc1F ZINC001302252090 995115144 /nfs/dbraw/zinc/11/51/44/995115144.db2.gz YWLLXUSNMZFNQD-UHFFFAOYSA-N 0 1 227.283 2.105 20 0 BEADMN CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)C(C)(C)C ZINC001303375928 995151420 /nfs/dbraw/zinc/15/14/20/995151420.db2.gz QFKIUSAXEYTWRX-GFCCVEGCSA-N 0 1 242.407 2.469 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@]23C[C@H]2CCC3)[nH]1 ZINC001304108644 995190257 /nfs/dbraw/zinc/19/02/57/995190257.db2.gz XVTLQZYLRUJVEM-QMTHXVAHSA-N 0 1 247.342 2.340 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@H]2C2CCC2)n1 ZINC001337837805 995224134 /nfs/dbraw/zinc/22/41/34/995224134.db2.gz TXTWQTHVUBYNEP-NSHDSACASA-N 0 1 232.331 2.136 20 0 BEADMN CC[C@@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1noc(C)n1 ZINC001307667231 995428523 /nfs/dbraw/zinc/42/85/23/995428523.db2.gz ASOLYVLNIBYNRZ-WRWGMCAJSA-N 0 1 235.331 2.465 20 0 BEADMN FC1(F)CC[C@H](CN2CCn3nccc3C2)C1 ZINC001307959300 995508947 /nfs/dbraw/zinc/50/89/47/995508947.db2.gz YKYOLCZDYJMTGO-JTQLQIEISA-N 0 1 241.285 2.134 20 0 BEADMN CC(C)[C@H](O)CN1CCCC[C@H]1c1ncccn1 ZINC001308046824 995535917 /nfs/dbraw/zinc/53/59/17/995535917.db2.gz BUWURHBCPOGMIX-QWHCGFSZSA-N 0 1 249.358 2.021 20 0 BEADMN CC(C)(O)CCN1CCCC[C@@H]1c1ncccn1 ZINC001308047088 995537238 /nfs/dbraw/zinc/53/72/38/995537238.db2.gz GDNMGQLPIIFFPL-GFCCVEGCSA-N 0 1 249.358 2.165 20 0 BEADMN COc1cc(CNCc2ccnn2C)ccc1C ZINC001308227581 995598798 /nfs/dbraw/zinc/59/87/98/995598798.db2.gz NKJJABHGEWGGMN-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001593903744 996775995 /nfs/dbraw/zinc/77/59/95/996775995.db2.gz KQBCBROIEFHFGC-DTWKUNHWSA-N 0 1 247.285 2.074 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001593903745 996776383 /nfs/dbraw/zinc/77/63/83/996776383.db2.gz KQBCBROIEFHFGC-IUCAKERBSA-N 0 1 247.285 2.074 20 0 BEADMN CC1=C[C@H](C)C[N@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC001594109415 998193623 /nfs/dbraw/zinc/19/36/23/998193623.db2.gz GYHBMDVZJWZQJF-JQWIXIFHSA-N 0 1 225.332 2.384 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001594113687 998229219 /nfs/dbraw/zinc/22/92/19/998229219.db2.gz RPOSUIHWJIAENY-BJJPWKGXSA-N 0 1 249.354 2.241 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC001594231393 998879644 /nfs/dbraw/zinc/87/96/44/998879644.db2.gz SZDBJCFTJLEKLM-SFYZADRCSA-N 0 1 240.328 2.072 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)C1 ZINC001594239366 998912943 /nfs/dbraw/zinc/91/29/43/998912943.db2.gz PHKRMTIAEUMPEX-RUJICJSRSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)[O-])C1 ZINC001594268696 999038931 /nfs/dbraw/zinc/03/89/31/999038931.db2.gz ABSIDTMMUNFMNP-ZYHUDNBSSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)[O-] ZINC001594270485 999045415 /nfs/dbraw/zinc/04/54/15/999045415.db2.gz VCKUSJOKUBNGNI-NQBHXWOUSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1C(=O)[O-] ZINC001594275435 999065180 /nfs/dbraw/zinc/06/51/80/999065180.db2.gz RJVVRRCGXLEANP-KCJUWKMLSA-N 0 1 248.282 2.039 20 0 BEADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001594282027 999091318 /nfs/dbraw/zinc/09/13/18/999091318.db2.gz CTYHZDUJLKGILM-SNVBAGLBSA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001594371796 999403192 /nfs/dbraw/zinc/40/31/92/999403192.db2.gz GSCYONCTAYOFKB-BBBLOLIVSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001594382922 999444405 /nfs/dbraw/zinc/44/44/05/999444405.db2.gz IFIQGULQIKEPHS-UTLUCORTSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001594382921 999444710 /nfs/dbraw/zinc/44/47/10/999444710.db2.gz IFIQGULQIKEPHS-OPRDCNLKSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)CCS1 ZINC001594416110 999554713 /nfs/dbraw/zinc/55/47/13/999554713.db2.gz AOPMDZAKWWGBMT-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C[C@H]1C ZINC001594423903 999585040 /nfs/dbraw/zinc/58/50/40/999585040.db2.gz KVFYYTNISIISNK-NXEZZACHSA-N 0 1 236.315 2.191 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)CCc1cc(C)[nH]n1 ZINC001566930604 1170091785 /nfs/dbraw/zinc/09/17/85/1170091785.db2.gz AKTSCTSGRIFPFW-WCQYABFASA-N 0 1 249.358 2.440 20 0 BEADMN CSCC[C@@H](C)NCc1nn(C)cc1Cl ZINC001620805651 1170153679 /nfs/dbraw/zinc/15/36/79/1170153679.db2.gz BTUMZIOWXWRDHC-MRVPVSSYSA-N 0 1 247.795 2.305 20 0 BEADMN CN(Cc1cccnc1)Cc1cccc(N)c1 ZINC000035359916 1170164920 /nfs/dbraw/zinc/16/49/20/1170164920.db2.gz XVPQAJMVPXISRU-UHFFFAOYSA-N 0 1 227.311 2.296 20 0 BEADMN CCn1ccc(CNCCOC(C)(C)CC)n1 ZINC001620960923 1170175332 /nfs/dbraw/zinc/17/53/32/1170175332.db2.gz JHFPZNYUEMGGHO-UHFFFAOYSA-N 0 1 239.363 2.198 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC3(CCC3)C2)c[nH]1 ZINC001608841796 1170202926 /nfs/dbraw/zinc/20/29/26/1170202926.db2.gz IYTBKNLWHALNAP-UHFFFAOYSA-N 0 1 234.299 2.089 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1)C1(C)CC1 ZINC001609759841 1170286439 /nfs/dbraw/zinc/28/64/39/1170286439.db2.gz DDTONYBTCNNSDL-SECBINFHSA-N 0 1 236.315 2.333 20 0 BEADMN CC1(C)C[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1C1CC1 ZINC001609819434 1170294749 /nfs/dbraw/zinc/29/47/49/1170294749.db2.gz YCJLUXOPDOSMDQ-GFCCVEGCSA-N 0 1 248.326 2.333 20 0 BEADMN C[C@]1(F)CCC[N@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001609824857 1170295717 /nfs/dbraw/zinc/29/57/17/1170295717.db2.gz GINMEGFGUNDZPW-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@]1(F)CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC001609824857 1170295725 /nfs/dbraw/zinc/29/57/25/1170295725.db2.gz GINMEGFGUNDZPW-LBPRGKRZSA-N 0 1 241.262 2.302 20 0 BEADMN CC1=C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001609828621 1170297519 /nfs/dbraw/zinc/29/75/19/1170297519.db2.gz JNHNJIFBWCMPTB-GXFFZTMASA-N 0 1 246.310 2.105 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC001610075665 1170344071 /nfs/dbraw/zinc/34/40/71/1170344071.db2.gz SGYQORFWERPZGZ-IUCAKERBSA-N 0 1 237.299 2.380 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1CC[C@H](F)C1 ZINC001610529915 1170381354 /nfs/dbraw/zinc/38/13/54/1170381354.db2.gz VHVYBSBGXXLWSY-CMPLNLGQSA-N 0 1 237.274 2.165 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@H](F)C1 ZINC001610529915 1170381364 /nfs/dbraw/zinc/38/13/64/1170381364.db2.gz VHVYBSBGXXLWSY-CMPLNLGQSA-N 0 1 237.274 2.165 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001610728637 1170406190 /nfs/dbraw/zinc/40/61/90/1170406190.db2.gz SHUJUBJTDIOWOQ-CYBMUJFWSA-N 0 1 241.306 2.376 20 0 BEADMN O=C([O-])[C@H]1[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]21 ZINC001610803994 1170417093 /nfs/dbraw/zinc/41/70/93/1170417093.db2.gz WHFBEWRYPGIVAF-ITGUQSILSA-N 0 1 235.327 2.139 20 0 BEADMN C=C/C=C/CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC001610944683 1170424970 /nfs/dbraw/zinc/42/49/70/1170424970.db2.gz WJUGHQFJTXJRGA-VQCYPWCPSA-N 0 1 248.330 2.238 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(F)cc1O ZINC001611075077 1170427499 /nfs/dbraw/zinc/42/74/99/1170427499.db2.gz WOUHVOVBUAXGEG-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN NC(=O)c1ccc(-c2cccc3cncn32)cc1 ZINC000034225230 1170542003 /nfs/dbraw/zinc/54/20/03/1170542003.db2.gz JVORFZLMRBKKDI-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN CN1CCC[C@@H](Oc2cccnc2Cl)C1 ZINC000034381305 1170552567 /nfs/dbraw/zinc/55/25/67/1170552567.db2.gz VYZUBIVZHDSMFU-SECBINFHSA-N 0 1 226.707 2.208 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCOCC1)c1csnn1 ZINC001616728433 1170566527 /nfs/dbraw/zinc/56/65/27/1170566527.db2.gz DXYBRIVZUCOYMM-DTWKUNHWSA-N 0 1 241.360 2.004 20 0 BEADMN CC[C@@H]1CCN(Cc2nccc(C)n2)[C@@H]1C ZINC001617360038 1170586524 /nfs/dbraw/zinc/58/65/24/1170586524.db2.gz LALXZWSOHMSGDB-VXGBXAGGSA-N 0 1 219.332 2.405 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1cccc2nc[nH]c21 ZINC001617997748 1170613663 /nfs/dbraw/zinc/61/36/63/1170613663.db2.gz WNHNSIGZGLHKED-JTQLQIEISA-N 0 1 241.294 2.401 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2ccc(F)cc21 ZINC001618654565 1170647090 /nfs/dbraw/zinc/64/70/90/1170647090.db2.gz DXFMUELKRNFBIE-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001620535966 1170678948 /nfs/dbraw/zinc/67/89/48/1170678948.db2.gz HMCTZVJDVHMJGB-UPJWGTAASA-N 0 1 231.343 2.345 20 0 BEADMN CCOCCN1CCCC[C@H]1c1cc(C)n[nH]1 ZINC001620615000 1170686400 /nfs/dbraw/zinc/68/64/00/1170686400.db2.gz IUPCPKYNSCXLAX-ZDUSSCGKSA-N 0 1 237.347 2.282 20 0 BEADMN CON(Cc1ccc(C)o1)Cc1[nH]ncc1C ZINC001620597351 1170687737 /nfs/dbraw/zinc/68/77/37/1170687737.db2.gz SGLYDJQAWVLBQA-UHFFFAOYSA-N 0 1 235.287 2.183 20 0 BEADMN Cc1cc(CNc2cnc3[nH]ccc3c2)n[nH]1 ZINC001621068493 1170708455 /nfs/dbraw/zinc/70/84/55/1170708455.db2.gz MOHZKFZLUHYDJC-UHFFFAOYSA-N 0 1 227.271 2.158 20 0 BEADMN C[C@H]1CCCN(Cc2nc(CO)cs2)CC1 ZINC001621144282 1170727319 /nfs/dbraw/zinc/72/73/19/1170727319.db2.gz ADKGQFRJIICRRJ-JTQLQIEISA-N 0 1 240.372 2.257 20 0 BEADMN CO[C@@H]1CCN(Cc2cn(C3CC3)cn2)[C@@H](C)C1 ZINC001621279218 1170762815 /nfs/dbraw/zinc/76/28/15/1170762815.db2.gz PBLJIBPTQVTMLT-SMDDNHRTSA-N 0 1 249.358 2.217 20 0 BEADMN CCOC[C@H](NCc1ncccc1F)C(C)C ZINC001621303418 1170763671 /nfs/dbraw/zinc/76/36/71/1170763671.db2.gz XUHFXFHFYWKHGM-ZDUSSCGKSA-N 0 1 240.322 2.371 20 0 BEADMN CC1CN(Cc2cccc3nsnc32)C1 ZINC001621302527 1170764847 /nfs/dbraw/zinc/76/48/47/1170764847.db2.gz VUAKQNSIRFWRET-UHFFFAOYSA-N 0 1 219.313 2.143 20 0 BEADMN C[C@@]1(CN2CC(C(F)F)C2)CCCCO1 ZINC001621381242 1170789914 /nfs/dbraw/zinc/78/99/14/1170789914.db2.gz XQEZZDOVIZQUOY-NSHDSACASA-N 0 1 219.275 2.143 20 0 BEADMN COc1cccnc1CNCCSC(C)C ZINC001621393843 1170793074 /nfs/dbraw/zinc/79/30/74/1170793074.db2.gz HVEYVEVSOXANPQ-UHFFFAOYSA-N 0 1 240.372 2.321 20 0 BEADMN C[C@@H]([NH2+]CC1(C)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001621539995 1170841420 /nfs/dbraw/zinc/84/14/20/1170841420.db2.gz YNIMKELVGZGPOF-ZCFIWIBFSA-N 0 1 248.252 2.274 20 0 BEADMN C[C@H]([NH2+]CC1(C)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001621539994 1170843405 /nfs/dbraw/zinc/84/34/05/1170843405.db2.gz YNIMKELVGZGPOF-LURJTMIESA-N 0 1 248.252 2.274 20 0 BEADMN CCC[C@@H]([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000036839943 1170917082 /nfs/dbraw/zinc/91/70/82/1170917082.db2.gz IPMVBTIVLSBEAB-SNVBAGLBSA-N 0 1 248.282 2.171 20 0 BEADMN CCCN(CC)C(=O)c1cccc2[nH]cnc21 ZINC001624783804 1171054709 /nfs/dbraw/zinc/05/47/09/1171054709.db2.gz KYYIHLKTUGTTJX-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001627398241 1171170132 /nfs/dbraw/zinc/17/01/32/1171170132.db2.gz CHRILHFMFMYXGY-RKDXNWHRSA-N 0 1 239.294 2.105 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ncc(Cl)s1 ZINC001627867398 1171192759 /nfs/dbraw/zinc/19/27/59/1171192759.db2.gz NCMYRSXEZODELM-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN CCn1cc([C@H](C)NCc2ccncc2)cn1 ZINC000044495287 1171385405 /nfs/dbraw/zinc/38/54/05/1171385405.db2.gz LASRAUCKNLWNMA-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CC/C(C)=C\C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001631499621 1171460166 /nfs/dbraw/zinc/46/01/66/1171460166.db2.gz WNFLAZZFEMDPRI-QEEXHBDFSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(O)cc2F)[nH]1 ZINC001632525397 1171511614 /nfs/dbraw/zinc/51/16/14/1171511614.db2.gz ANLOZJFYCHZTLD-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)c1cnc[nH]1 ZINC001632831601 1171538175 /nfs/dbraw/zinc/53/81/75/1171538175.db2.gz JNILTLDCVSNFIF-LBPRGKRZSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1nnc(S[C@@H](C)c2cccnc2)[nH]1 ZINC000048834397 1171651424 /nfs/dbraw/zinc/65/14/24/1171651424.db2.gz WZTLMVQWUVMIAF-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)c2cccnc2)n1 ZINC000048834397 1171651425 /nfs/dbraw/zinc/65/14/25/1171651425.db2.gz WZTLMVQWUVMIAF-ZETCQYMHSA-N 0 1 220.301 2.361 20 0 BEADMN CCCCN(CC(=O)OCC)[C@H](C)CC ZINC000049800949 1171728165 /nfs/dbraw/zinc/72/81/65/1171728165.db2.gz DLWLIZNQWMGOBQ-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1 ZINC001635610705 1171740764 /nfs/dbraw/zinc/74/07/64/1171740764.db2.gz RXQSSRQJKOEQMN-GMTAPVOTSA-N 0 1 247.342 2.025 20 0 BEADMN CCc1ncc(CNC(=O)c2occ(C)c2C)[nH]1 ZINC001635610612 1171743854 /nfs/dbraw/zinc/74/38/54/1171743854.db2.gz NYCVUDPKAOJKFS-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC2(CCC2)C1 ZINC001635909541 1171770587 /nfs/dbraw/zinc/77/05/87/1171770587.db2.gz RFKKAQFVHDKWMO-UHFFFAOYSA-N 0 1 241.294 2.189 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1nc(C(C)C)co1 ZINC001635945493 1171779143 /nfs/dbraw/zinc/77/91/43/1171779143.db2.gz WPJRAQMQAAZMDX-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)C(F)F)n[nH]1 ZINC001636064994 1171790412 /nfs/dbraw/zinc/79/04/12/1171790412.db2.gz FSUSEVWUJHARJE-SECBINFHSA-N 0 1 243.257 2.037 20 0 BEADMN CSC1(C(=O)Nc2ccc3cncn3c2)CC1 ZINC001636207331 1171810438 /nfs/dbraw/zinc/81/04/38/1171810438.db2.gz HQMVAPOMSYPNQO-UHFFFAOYSA-N 0 1 247.323 2.168 20 0 BEADMN CN[C@H](C)c1nnc(-c2cccc(F)c2)o1 ZINC000050618261 1171824004 /nfs/dbraw/zinc/82/40/04/1171824004.db2.gz OXDMRGFUMDWEJW-SSDOTTSWSA-N 0 1 221.235 2.156 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cccc(O)c2F)[nH]1 ZINC001636439047 1171835236 /nfs/dbraw/zinc/83/52/36/1171835236.db2.gz CQPGWQMKTFNRGE-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN CCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000050852012 1171844599 /nfs/dbraw/zinc/84/45/99/1171844599.db2.gz RPTRPEOLENKIGE-UHFFFAOYSA-N 0 1 222.336 2.488 20 0 BEADMN C[C@H]([C@H](C)C(=O)NCCN1CCC1)C(C)(C)C ZINC001636875523 1171889788 /nfs/dbraw/zinc/88/97/88/1171889788.db2.gz JZSURVQDONQICG-NWDGAFQWSA-N 0 1 240.391 2.127 20 0 BEADMN CC(C)OC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000051733380 1171914690 /nfs/dbraw/zinc/91/46/90/1171914690.db2.gz LZEITQNEUBJNKB-GHMZBOCLSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1cc(CCC(=O)N(C)C2CC(C)(C)C2)n[nH]1 ZINC001637607627 1171948026 /nfs/dbraw/zinc/94/80/26/1171948026.db2.gz DJTMXLUFIOHENC-UHFFFAOYSA-N 0 1 249.358 2.298 20 0 BEADMN CNc1ncccc1CN(C)C[C@@H]1CCCCO1 ZINC000052724354 1171982662 /nfs/dbraw/zinc/98/26/62/1171982662.db2.gz AMSDAVUVYRQVJJ-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN CNc1ncccc1CN(C)C[C@H]1CCCCO1 ZINC000052724357 1171984383 /nfs/dbraw/zinc/98/43/83/1171984383.db2.gz AMSDAVUVYRQVJJ-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN CCC(C)(CC)NC(=O)c1[nH]nc2c1CCC2 ZINC000112938144 168311503 /nfs/dbraw/zinc/31/15/03/168311503.db2.gz NGEFFRNNTJKZPM-UHFFFAOYSA-N 0 1 235.331 2.207 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000062134128 349438344 /nfs/dbraw/zinc/43/83/44/349438344.db2.gz SSSXHDRLTJSDLC-LVDDQXARSA-N 0 1 231.295 2.106 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccco1)[C@H](O)C(F)F ZINC000296629053 398140304 /nfs/dbraw/zinc/14/03/04/398140304.db2.gz XITQMPAFXJCKRO-NRPADANISA-N 0 1 233.258 2.335 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000266887243 538913616 /nfs/dbraw/zinc/91/36/16/538913616.db2.gz LKKWUVROFGCIGT-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CC[N@@H+](Cc1nc(C(=O)[O-])cs1)C(C)C ZINC000378683084 346807354 /nfs/dbraw/zinc/80/73/54/346807354.db2.gz UMRBUZZGDJPKQM-UHFFFAOYSA-N 0 1 228.317 2.072 20 0 BEADMN CC[C@@H](C)CC(=O)NCc1ccc2cncn2c1 ZINC000297217293 398143435 /nfs/dbraw/zinc/14/34/35/398143435.db2.gz MMEVANOLGSLPJG-LLVKDONJSA-N 0 1 245.326 2.387 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cccc(F)c1F ZINC000649863653 398145052 /nfs/dbraw/zinc/14/50/52/398145052.db2.gz LHHCEBOJAKBACK-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000300982290 349490396 /nfs/dbraw/zinc/49/03/96/349490396.db2.gz SEIZCCSMUNXJGX-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC000300982288 349490594 /nfs/dbraw/zinc/49/05/94/349490594.db2.gz SEIZCCSMUNXJGX-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(CC)(CO)CNCc1csc(C)n1 ZINC000088176098 168328905 /nfs/dbraw/zinc/32/89/05/168328905.db2.gz ZEFDEWUPHLMTJW-UHFFFAOYSA-N 0 1 242.388 2.340 20 0 BEADMN COc1ccc(F)cc1CN(C)[C@@H](C)CCO ZINC000649866779 398147073 /nfs/dbraw/zinc/14/70/73/398147073.db2.gz YSUYJDSAEJRCDL-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(F)cc1CN(C)[C@H](C)CCO ZINC000649866782 398147298 /nfs/dbraw/zinc/14/72/98/398147298.db2.gz YSUYJDSAEJRCDL-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1c(Cl)c(CNCC[C@@H](C)F)nn1C ZINC000421377140 192322661 /nfs/dbraw/zinc/32/26/61/192322661.db2.gz FSMAQWAUDYACNK-SSDOTTSWSA-N 0 1 233.718 2.220 20 0 BEADMN COC1CCC(N[C@@H](C)C(F)F)CC1 ZINC000389952995 398152076 /nfs/dbraw/zinc/15/20/76/398152076.db2.gz XTPDZWHKONHHDJ-UEJVZZJDSA-N 0 1 207.264 2.187 20 0 BEADMN CCC(CC)C(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000362277389 168336346 /nfs/dbraw/zinc/33/63/46/168336346.db2.gz FKJKFTVRYUFSHA-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](NCc1cc(C)n[nH]1)c1ccncc1 ZINC000608058344 398176162 /nfs/dbraw/zinc/17/61/62/398176162.db2.gz NDYHGRAJHJSPQY-ZDUSSCGKSA-N 0 1 230.315 2.354 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)CCC(C)C)n[nH]1 ZINC000162014828 178054422 /nfs/dbraw/zinc/05/44/22/178054422.db2.gz UFSZWYDVGQCFEQ-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN Cc1cc(C[C@@H](C)N[C@H](C)c2cc(C)on2)[nH]n1 ZINC000290646283 178055065 /nfs/dbraw/zinc/05/50/65/178055065.db2.gz JTYGCYRNFDNRTA-LDYMZIIASA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(C[C@@H](C)N[C@H](C)c2cc(C)on2)n[nH]1 ZINC000290646283 178055066 /nfs/dbraw/zinc/05/50/66/178055066.db2.gz JTYGCYRNFDNRTA-LDYMZIIASA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000185758859 178057153 /nfs/dbraw/zinc/05/71/53/178057153.db2.gz HIHJUXAKWGQZMN-ZWKOPEQDSA-N 0 1 249.358 2.057 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000258729372 349514453 /nfs/dbraw/zinc/51/44/53/349514453.db2.gz MUFWRYFLQLBLIW-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CCCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649910821 398186384 /nfs/dbraw/zinc/18/63/84/398186384.db2.gz FANQHCPZOBQJFZ-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cc(F)ccc1CN(C)Cc1cnc[nH]1 ZINC000361325301 178084856 /nfs/dbraw/zinc/08/48/56/178084856.db2.gz KWNXHPCIAVGBPZ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1cc(F)ccc1CN1CC(C(C)(C)O)C1 ZINC000297414164 178086302 /nfs/dbraw/zinc/08/63/02/178086302.db2.gz MRZPOSRDSXAORV-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CC/C=C/CCN[C@H](C)c1nc(C)no1 ZINC000336748042 398196725 /nfs/dbraw/zinc/19/67/25/398196725.db2.gz CGYCOYBGZYUIFT-VUHVRTRXSA-N 0 1 209.293 2.385 20 0 BEADMN Cc1cc(N2CC(CO)C2)c2cc(F)ccc2n1 ZINC000192179754 178112441 /nfs/dbraw/zinc/11/24/41/178112441.db2.gz PZYBNVBRJUJSPR-UHFFFAOYSA-N 0 1 246.285 2.111 20 0 BEADMN CCC(CC)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358675038 168343521 /nfs/dbraw/zinc/34/35/21/168343521.db2.gz IBQNWWBRIRBAOP-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)c1coc(CN)c1 ZINC000638997792 398218933 /nfs/dbraw/zinc/21/89/33/398218933.db2.gz RICZDEKWIPVUMC-VIFPVBQESA-N 0 1 236.315 2.047 20 0 BEADMN CCC(=O)CCCN1CCC[C@@H](OC(F)F)C1 ZINC000649420159 398219492 /nfs/dbraw/zinc/21/94/92/398219492.db2.gz VWSQKNNHIYUGCS-LLVKDONJSA-N 0 1 249.301 2.449 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358675040 168344171 /nfs/dbraw/zinc/34/41/71/168344171.db2.gz IBQNWWBRIRBAOP-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)CC(=O)N1CCN(CC)C[C@H]1C ZINC000341766011 168344479 /nfs/dbraw/zinc/34/44/79/168344479.db2.gz AZTGIESWYCRZNM-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)C(CN1CC[S@@](=O)[C@H](C)C1)C(C)C ZINC000576366702 365580332 /nfs/dbraw/zinc/58/03/32/365580332.db2.gz FLEWESDQKXHBHI-MLGOLLRUSA-N 0 1 245.432 2.367 20 0 BEADMN c1c[nH]c([C@@H](NCC2CCC2)c2cccnc2)n1 ZINC000195003496 136221416 /nfs/dbraw/zinc/22/14/16/136221416.db2.gz MMOQMWHGTOEYPB-ZDUSSCGKSA-N 0 1 242.326 2.284 20 0 BEADMN [O-]c1cccc2c(N3CC[C@H](F)C3)cc[nH+]c12 ZINC000649419694 398220798 /nfs/dbraw/zinc/22/07/98/398220798.db2.gz FKLCFXXJPZNQLE-VIFPVBQESA-N 0 1 232.258 2.489 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCc2ccccc2C1 ZINC000576405304 365587938 /nfs/dbraw/zinc/58/79/38/365587938.db2.gz JFZZYLIQGWMBCY-GFCCVEGCSA-N 0 1 247.338 2.198 20 0 BEADMN Cc1ccc(F)cc1C[N@@H+](C)CCC(=O)[O-] ZINC000163845335 538930534 /nfs/dbraw/zinc/93/05/34/538930534.db2.gz KDQVELOGWGXIDU-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN COCCN[C@@H](C)c1nc(C)sc1C ZINC000020085636 538930565 /nfs/dbraw/zinc/93/05/65/538930565.db2.gz DQXNDVYSWSIJID-ZETCQYMHSA-N 0 1 214.334 2.057 20 0 BEADMN CCC(CC)CN(CC)Cc1cn(C)nn1 ZINC000341608030 168350981 /nfs/dbraw/zinc/35/09/81/168350981.db2.gz DJTWCPBZOFPJBS-UHFFFAOYSA-N 0 1 224.352 2.073 20 0 BEADMN CCn1ncnc1CN[C@@H]1CC12CCCCC2 ZINC000387155669 398226858 /nfs/dbraw/zinc/22/68/58/398226858.db2.gz QBOWRBWAIMQOFW-LLVKDONJSA-N 0 1 234.347 2.110 20 0 BEADMN CCC(CC)CN1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361663841 168352043 /nfs/dbraw/zinc/35/20/43/168352043.db2.gz XJAJBQFEGGIKSD-GHMZBOCLSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)n1 ZINC000192619136 178202395 /nfs/dbraw/zinc/20/23/95/178202395.db2.gz PECDCQMLVSTTID-QJPTWQEYSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2C[C@H](C)[C@@H](C)C2)n1 ZINC000279602222 178202948 /nfs/dbraw/zinc/20/29/48/178202948.db2.gz XDCOPYOYKYROLE-QXEWZRGKSA-N 0 1 235.331 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2CCC(C)CC2)n1 ZINC000177912894 178203107 /nfs/dbraw/zinc/20/31/07/178203107.db2.gz FHVYQNGRFZQTAP-NSHDSACASA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CCC(C)CC2)n1 ZINC000177912894 178203109 /nfs/dbraw/zinc/20/31/09/178203109.db2.gz FHVYQNGRFZQTAP-NSHDSACASA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CC(C)C)n1 ZINC000268480150 178203457 /nfs/dbraw/zinc/20/34/57/178203457.db2.gz ZZGPEZIGHPPWJC-JTQLQIEISA-N 0 1 223.320 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CC(C)C)n1 ZINC000268480150 178203459 /nfs/dbraw/zinc/20/34/59/178203459.db2.gz ZZGPEZIGHPPWJC-JTQLQIEISA-N 0 1 223.320 2.139 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000629876636 361750822 /nfs/dbraw/zinc/75/08/22/361750822.db2.gz KKMPZPMRKFREPN-AAAGKOELSA-N 0 1 238.375 2.141 20 0 BEADMN CCC(CC)CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000340584863 168353297 /nfs/dbraw/zinc/35/32/97/168353297.db2.gz XVZKHQXSWZFEAP-ZDUSSCGKSA-N 0 1 239.359 2.103 20 0 BEADMN CC[C@@H]1CN(CC2=CCCOC2)C[C@@H](CC)O1 ZINC000421397192 192329630 /nfs/dbraw/zinc/32/96/30/192329630.db2.gz XIQDBOGWHAJSRL-ZIAGYGMSSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)cs1 ZINC000421406669 192332340 /nfs/dbraw/zinc/33/23/40/192332340.db2.gz UIAWPBDIVGCTLT-GFCCVEGCSA-N 0 1 223.341 2.421 20 0 BEADMN Cc1cc([C@@H](C)NCC2(C(F)F)CC2)nn1C ZINC000337495627 178221770 /nfs/dbraw/zinc/22/17/70/178221770.db2.gz YDNLGYNLHLERFB-SECBINFHSA-N 0 1 243.301 2.424 20 0 BEADMN Cc1cc([C@@H](C)NCC(C)(C)C[C@H](C)O)no1 ZINC000330991256 178222693 /nfs/dbraw/zinc/22/26/93/178222693.db2.gz MXTCRUMZJNEGLF-GXSJLCMTSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cc([C@@H](C)NCCC[C@H](C)CO)no1 ZINC000285272849 178224656 /nfs/dbraw/zinc/22/46/56/178224656.db2.gz QWRHFPJLMYENIS-GXSJLCMTSA-N 0 1 226.320 2.042 20 0 BEADMN C[C@@H](CC1CC1)N[C@@H](C)c1csnn1 ZINC000398324678 323000528 /nfs/dbraw/zinc/00/05/28/323000528.db2.gz KMUKBSMHHWJUBP-YUMQZZPRSA-N 0 1 211.334 2.377 20 0 BEADMN Cc1cc([C@@H](C)NCc2cnn(C)c2)c(C)o1 ZINC000044376512 178229206 /nfs/dbraw/zinc/22/92/06/178229206.db2.gz HXXMACJIRHRKEA-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN CCc1ncc(CN2C[C@@H](O)CC[C@@H]2C)s1 ZINC000421368724 192333724 /nfs/dbraw/zinc/33/37/24/192333724.db2.gz GHKXIMRFLHTIBJ-UWVGGRQHSA-N 0 1 240.372 2.051 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CSC2(C)C)nn1C ZINC000283891527 178230397 /nfs/dbraw/zinc/23/03/97/178230397.db2.gz FXJOFGPPVRQVIL-MWLCHTKSSA-N 0 1 239.388 2.273 20 0 BEADMN CC[C@H](CO)NCc1c(Cl)cccc1OC ZINC000162015121 349523013 /nfs/dbraw/zinc/52/30/13/349523013.db2.gz HGPDWDWZZUPJEC-SECBINFHSA-N 0 1 243.734 2.209 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3cn[nH]c32)no1 ZINC000285316714 178230822 /nfs/dbraw/zinc/23/08/22/178230822.db2.gz SVUKLVXVIZDLGU-MWLCHTKSSA-N 0 1 246.314 2.434 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)oc1C ZINC000282081029 178231795 /nfs/dbraw/zinc/23/17/95/178231795.db2.gz HPYYKTKCOKXVPI-KGYLQXTDSA-N 0 1 235.327 2.484 20 0 BEADMN Cc1nc(CNCCCC2(O)CCC2)cs1 ZINC000421370789 192335754 /nfs/dbraw/zinc/33/57/54/192335754.db2.gz IVOJUUUDBVZOLA-UHFFFAOYSA-N 0 1 240.372 2.236 20 0 BEADMN CCCOc1ccc(-c2nc[nH]n2)c(F)c1 ZINC000649427028 398231450 /nfs/dbraw/zinc/23/14/50/398231450.db2.gz BQCMEMZDZBZOCJ-UHFFFAOYSA-N 0 1 221.235 2.400 20 0 BEADMN CCC(CC)CNC(=O)[C@@H](N)c1ccccc1 ZINC000083361159 168357628 /nfs/dbraw/zinc/35/76/28/168357628.db2.gz BZBCEXOABRROFG-ZDUSSCGKSA-N 0 1 234.343 2.239 20 0 BEADMN Cc1ccsc1CNC(=O)CCc1cnc[nH]1 ZINC000280567788 538936906 /nfs/dbraw/zinc/93/69/06/538936906.db2.gz LMKUFPLENJFYQD-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCCF)no1 ZINC000370615984 178240602 /nfs/dbraw/zinc/24/06/02/178240602.db2.gz MBVCNYKKMSCMKR-NSHDSACASA-N 0 1 212.268 2.480 20 0 BEADMN Cc1ccc(CN(C)C(=O)c2ccn[nH]2)s1 ZINC000076174692 398233298 /nfs/dbraw/zinc/23/32/98/398233298.db2.gz PANBIQKITSPAKF-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CCC[C@H](O)CN[C@@H](C)c1nc(C)cs1 ZINC000649430961 398233697 /nfs/dbraw/zinc/23/36/97/398233697.db2.gz BMXPNFVLZMYPKA-UWVGGRQHSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H](C)C[C@@H](C)O)no1 ZINC000279577628 178248282 /nfs/dbraw/zinc/24/82/82/178248282.db2.gz MOUOOVGCVIHGFH-NGZCFLSTSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)NCCc2c(C)noc2C)no1 ZINC000281038397 178249233 /nfs/dbraw/zinc/24/92/33/178249233.db2.gz PUPYRWYDIWJAGK-JTQLQIEISA-N 0 1 249.314 2.481 20 0 BEADMN Cc1cc([C@H](C)NCc2c[nH]nn2)c(C)s1 ZINC000284019561 178249813 /nfs/dbraw/zinc/24/98/13/178249813.db2.gz OFEDXLGOGPTMHU-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc([C@H](C)NC[C@@]2(C)CCOC2)no1 ZINC000309579139 178250826 /nfs/dbraw/zinc/25/08/26/178250826.db2.gz PVTZMDFMQMWBKC-CMPLNLGQSA-N 0 1 224.304 2.060 20 0 BEADMN Cc1cc([C@H](C)NC[C@]2(C)CCCO2)no1 ZINC000336730414 178251016 /nfs/dbraw/zinc/25/10/16/178251016.db2.gz DPMYFPDLFRMWPL-JQWIXIFHSA-N 0 1 224.304 2.203 20 0 BEADMN Cc1cc([C@H](C)NCc2cnn(C)c2)c(C)o1 ZINC000044376517 178251376 /nfs/dbraw/zinc/25/13/76/178251376.db2.gz HXXMACJIRHRKEA-JTQLQIEISA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CSC[C@@H]2C)no1 ZINC000336770180 178254937 /nfs/dbraw/zinc/25/49/37/178254937.db2.gz WIWJRVIWGKXQNZ-OVYXKVPISA-N 0 1 226.345 2.385 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)C[S@@](C)=O)oc1C ZINC000282686631 178255642 /nfs/dbraw/zinc/25/56/42/178255642.db2.gz KACURVZHRNHVIW-KCWFYHRYSA-N 0 1 243.372 2.314 20 0 BEADMN Cc1cc(O)ccc1NC(=O)CN(C)C1CCC1 ZINC000629963242 361810477 /nfs/dbraw/zinc/81/04/77/361810477.db2.gz LDEZBFSIUKYWBN-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CCO)C(C)C)no1 ZINC000290612771 178258762 /nfs/dbraw/zinc/25/87/62/178258762.db2.gz IAYSCMHTYDOSEZ-WDEREUQCSA-N 0 1 226.320 2.041 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc(C2CC2)c1 ZINC000094525571 398245162 /nfs/dbraw/zinc/24/51/62/398245162.db2.gz KTYRPBVEEYIWSO-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN CCc1cccnc1NC(=O)CN(C)C1CCC1 ZINC000629973193 361820984 /nfs/dbraw/zinc/82/09/84/361820984.db2.gz COAYJZJVGZMOJF-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN C[C@@H](NC[C@H](C)c1nccs1)c1ncc[nH]1 ZINC000285955045 538942768 /nfs/dbraw/zinc/94/27/68/538942768.db2.gz FGGREHVCTIMGLU-DTWKUNHWSA-N 0 1 236.344 2.321 20 0 BEADMN CCCC[C@@H](COC)N[C@@H](C)c1ncc[nH]1 ZINC000285893180 538942797 /nfs/dbraw/zinc/94/27/97/538942797.db2.gz CIYPXGRSEXPGKG-QWRGUYRKSA-N 0 1 225.336 2.266 20 0 BEADMN C[N@@H+](Cc1ccccc1F)CC1(C(=O)[O-])CC1 ZINC000258993183 349536125 /nfs/dbraw/zinc/53/61/25/349536125.db2.gz VTCGCTFWSNPAPN-UHFFFAOYSA-N 0 1 237.274 2.122 20 0 BEADMN Cc1c(-c2cc(C(F)(F)F)n[nH]2)cnn1C ZINC000649444363 398247191 /nfs/dbraw/zinc/24/71/91/398247191.db2.gz QKCUVGPNEGFDAO-UHFFFAOYSA-N 0 1 230.193 2.137 20 0 BEADMN CCn1nccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000649444494 398247196 /nfs/dbraw/zinc/24/71/96/398247196.db2.gz WSZXHYISCDIIED-UHFFFAOYSA-N 0 1 230.193 2.312 20 0 BEADMN COC[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000576662718 365652627 /nfs/dbraw/zinc/65/26/27/365652627.db2.gz FFYRGXBLJCALLO-LLVKDONJSA-N 0 1 245.326 2.201 20 0 BEADMN CC(C)N(C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000063467395 349536700 /nfs/dbraw/zinc/53/67/00/349536700.db2.gz GOCOWWKLLWLTPC-LBPRGKRZSA-N 0 1 246.354 2.477 20 0 BEADMN Cc1noc([C@H]2CCCN2CC2(C)CC2)n1 ZINC000576672537 365654029 /nfs/dbraw/zinc/65/40/29/365654029.db2.gz XAQFXZABGRDCQE-SNVBAGLBSA-N 0 1 221.304 2.315 20 0 BEADMN CCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)[O-])o1 ZINC000576668385 365654085 /nfs/dbraw/zinc/65/40/85/365654085.db2.gz WZTQBUMZQHIAGO-KOLCDFICSA-N 0 1 237.299 2.452 20 0 BEADMN Cc1nnc(CN(CC2CCC2)C(C)C)[nH]1 ZINC000428962546 323004965 /nfs/dbraw/zinc/00/49/65/323004965.db2.gz APRZQANCBMAYMU-UHFFFAOYSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)o1 ZINC000041052620 178336257 /nfs/dbraw/zinc/33/62/57/178336257.db2.gz PFYYDNYSJSUHTA-VIFPVBQESA-N 0 1 221.260 2.294 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)C[C@@H]1CC ZINC000576697041 365659387 /nfs/dbraw/zinc/65/93/87/365659387.db2.gz BUJPSASMWXDUEY-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1nccn1CC)OC ZINC000381442247 398257860 /nfs/dbraw/zinc/25/78/60/398257860.db2.gz YRISSIUZHNOBAA-VXGBXAGGSA-N 0 1 239.363 2.054 20 0 BEADMN CN[C@H](C)c1cn(Cc2cc(C)cc(C)c2)nn1 ZINC000381456979 398258223 /nfs/dbraw/zinc/25/82/23/398258223.db2.gz UBYDXECBLRDHDS-GFCCVEGCSA-N 0 1 244.342 2.224 20 0 BEADMN CC(C)N(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CCC1 ZINC000576716194 365668912 /nfs/dbraw/zinc/66/89/12/365668912.db2.gz SBVVHXBEYMEMIH-NSHDSACASA-N 0 1 249.358 2.378 20 0 BEADMN C[C@H](NC[C@H]1COc2ccccc21)c1ncc[nH]1 ZINC000290525011 538946956 /nfs/dbraw/zinc/94/69/56/538946956.db2.gz ZBMNNDXFIQHZAB-QWRGUYRKSA-N 0 1 243.310 2.237 20 0 BEADMN C[C@@H](NCc1ncn(C)n1)[C@@H]1CCCC[C@H]1C ZINC000449216624 398255849 /nfs/dbraw/zinc/25/58/49/398255849.db2.gz UHGVMBZZBZLURB-IJLUTSLNSA-N 0 1 236.363 2.120 20 0 BEADMN Cc1ccc(-c2n[nH]cc2CNCCF)o1 ZINC000304125475 178332108 /nfs/dbraw/zinc/33/21/08/178332108.db2.gz ITNUPFURNOWUPR-UHFFFAOYSA-N 0 1 223.251 2.037 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000173370411 538948685 /nfs/dbraw/zinc/94/86/85/538948685.db2.gz IXAQWIQDLAFOMS-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)n[nH]1 ZINC000177065114 538951030 /nfs/dbraw/zinc/95/10/30/538951030.db2.gz AYPBTFWNWBVQDL-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN CC[C@H](C)Cc1noc(Cc2cc(C)n[nH]2)n1 ZINC000632248230 398269792 /nfs/dbraw/zinc/26/97/92/398269792.db2.gz LZGVWIHOTLNZQT-QMMMGPOBSA-N 0 1 234.303 2.281 20 0 BEADMN Cc1ccc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000336555646 178399746 /nfs/dbraw/zinc/39/97/46/178399746.db2.gz XZDJPIVJFDBHRQ-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN CC(C)C(C)(C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000335330464 136234495 /nfs/dbraw/zinc/23/44/95/136234495.db2.gz CHLDMJDAKYNZET-VXGBXAGGSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1cncc(CCN(C)Cc2ccco2)n1 ZINC000649475448 398274241 /nfs/dbraw/zinc/27/42/41/398274241.db2.gz BPKMMIGQLDQOSR-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1 ZINC000650503698 398274422 /nfs/dbraw/zinc/27/44/22/398274422.db2.gz UNWXJCJMVUXEHI-DGCLKSJQSA-N 0 1 233.311 2.433 20 0 BEADMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)n1 ZINC000650501005 398274776 /nfs/dbraw/zinc/27/47/76/398274776.db2.gz IVCUVCMHPDPRJS-ZWNOBZJWSA-N 0 1 248.326 2.136 20 0 BEADMN CC[C@H]1CCCC[C@H]1CN(C)CC(=O)OC ZINC000600113194 342671220 /nfs/dbraw/zinc/67/12/20/342671220.db2.gz VSFGWXWFJOWKGK-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CS[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000600160279 342693401 /nfs/dbraw/zinc/69/34/01/342693401.db2.gz ANYDZAYJFIXOSD-NSHDSACASA-N 0 1 238.356 2.489 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C1 ZINC000337692932 168380726 /nfs/dbraw/zinc/38/07/26/168380726.db2.gz QADMCDAYPRIHQS-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN C/C=C\CNCc1cc(C)c(C(=O)OC)o1 ZINC000600206417 342700271 /nfs/dbraw/zinc/70/02/71/342700271.db2.gz XMMXJKWBHUXMFR-PLNGDYQASA-N 0 1 223.272 2.040 20 0 BEADMN C/C=C/CNCc1cc(C(=O)OC)c(CC)o1 ZINC000600204212 342701490 /nfs/dbraw/zinc/70/14/90/342701490.db2.gz HYKSQDNKNGLYRI-GQCTYLIASA-N 0 1 237.299 2.294 20 0 BEADMN C[N@@H+](CC(=O)NCC1CC(C)(C)C1)C1CCC1 ZINC000629982784 361847112 /nfs/dbraw/zinc/84/71/12/361847112.db2.gz KEIBYUZBPQNWSI-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CC(=O)NCC1CC(C)(C)C1)C1CCC1 ZINC000629982784 361847117 /nfs/dbraw/zinc/84/71/17/361847117.db2.gz KEIBYUZBPQNWSI-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Fc1cnccc1CNCCC(F)(F)F ZINC000449168172 398281053 /nfs/dbraw/zinc/28/10/53/398281053.db2.gz AKIPEPGOSUYATP-UHFFFAOYSA-N 0 1 222.185 2.263 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\C(C)(C)C ZINC000493419158 529384285 /nfs/dbraw/zinc/38/42/85/529384285.db2.gz LVGKZILUUUVHCG-QDZRJHCZSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@H](NC[C@@H](C)OC)c1nccs1 ZINC000167087531 361860470 /nfs/dbraw/zinc/86/04/70/361860470.db2.gz DNARXVJTLJMQRJ-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000167091211 361862315 /nfs/dbraw/zinc/86/23/15/361862315.db2.gz KHRXSNLVSQQWFG-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CC1CCN(Cc2cc3n(n2)CCC3)CC1 ZINC000649481541 398279269 /nfs/dbraw/zinc/27/92/69/398279269.db2.gz LAKOVMSHQKSHRD-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cc3n(n2)CCC3)C1 ZINC000649481653 398279735 /nfs/dbraw/zinc/27/97/35/398279735.db2.gz OSIRIBAZZPNMBY-TXEJJXNPSA-N 0 1 233.359 2.307 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCc1ccsc1)C(=O)[O-] ZINC000583939753 342728862 /nfs/dbraw/zinc/72/88/62/342728862.db2.gz AMPIRCQWARIFLE-JTQLQIEISA-N 0 1 241.356 2.333 20 0 BEADMN CC(C)C(C)(C)CNC(=O)CN(C)C1CCC1 ZINC000629983364 361870068 /nfs/dbraw/zinc/87/00/68/361870068.db2.gz RGBWQINMSYZNKQ-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000035759529 342759396 /nfs/dbraw/zinc/75/93/96/342759396.db2.gz ZZFJVESYEUTQNW-NSHDSACASA-N 0 1 221.300 2.229 20 0 BEADMN CCCN(Cc1nnc(CC)o1)CC1CC1 ZINC000045004013 342770087 /nfs/dbraw/zinc/77/00/87/342770087.db2.gz PCHFPJKARCMPSS-UHFFFAOYSA-N 0 1 223.320 2.254 20 0 BEADMN CC(C)CCC[N@@H+](C)[C@H](C)CC(=O)[O-] ZINC000259942624 349617697 /nfs/dbraw/zinc/61/76/97/349617697.db2.gz GENGSDHBIWHSLB-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H](O)CNC1(c2c(F)cccc2F)CCC1 ZINC000626178691 346862050 /nfs/dbraw/zinc/86/20/50/346862050.db2.gz DXMWHPHWAGQDSH-VIFPVBQESA-N 0 1 241.281 2.314 20 0 BEADMN COC(=O)c1cccc(CN2CCCC[C@@H]2C)n1 ZINC000583974177 342800828 /nfs/dbraw/zinc/80/08/28/342800828.db2.gz SMRNMQDJYFHHQW-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN CC1(C)CCN([C@H]2C=CCCC2)CC[S@@]1=O ZINC000336303140 342801204 /nfs/dbraw/zinc/80/12/04/342801204.db2.gz RJSQYCSYGVLNFC-LRDDRELGSA-N 0 1 241.400 2.328 20 0 BEADMN COCCNC(C)(C)c1nc(C)c(C)s1 ZINC000053290989 346862844 /nfs/dbraw/zinc/86/28/44/346862844.db2.gz PBKQSJFCXCAYEW-UHFFFAOYSA-N 0 1 228.361 2.231 20 0 BEADMN Cc1cc(C(=O)N2Cc3cccc(F)c3C2)n[nH]1 ZINC000622692682 342796303 /nfs/dbraw/zinc/79/63/03/342796303.db2.gz KCQPNJYNOYYEEU-UHFFFAOYSA-N 0 1 245.257 2.013 20 0 BEADMN C[C@H](O)[C@H](C)N1CC(C)(CC(F)(F)F)C1 ZINC000453039825 488180798 /nfs/dbraw/zinc/18/07/98/488180798.db2.gz PIYAIPZVEGECGO-YUMQZZPRSA-N 0 1 225.254 2.030 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000032015456 342797186 /nfs/dbraw/zinc/79/71/86/342797186.db2.gz YVRQFXAGBZAWHX-MRVPVSSYSA-N 0 1 227.691 2.245 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1Cl ZINC000032015455 342797204 /nfs/dbraw/zinc/79/72/04/342797204.db2.gz ZONLBTCOTGZXQO-QMMMGPOBSA-N 0 1 227.691 2.245 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1Cl ZINC000032102288 342797683 /nfs/dbraw/zinc/79/76/83/342797683.db2.gz XJRXELKANLJNTH-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN Cc1ccccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000634582465 342798354 /nfs/dbraw/zinc/79/83/54/342798354.db2.gz UGPZWZQOZLJISN-SNVBAGLBSA-N 0 1 246.335 2.451 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccccc3)[nH]c21 ZINC000634582739 342798461 /nfs/dbraw/zinc/79/84/61/342798461.db2.gz ZNSBHYFGGVSYOM-KOLCDFICSA-N 0 1 214.268 2.435 20 0 BEADMN CN1CCN(C(=O)CC2CCCC2)CC1(C)C ZINC000559257840 398287586 /nfs/dbraw/zinc/28/75/86/398287586.db2.gz LQPQNTIQYNPVPU-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccccc1-n1[nH]c([C@H]2CCOC2)cc1=O ZINC000634582611 342798600 /nfs/dbraw/zinc/79/86/00/342798600.db2.gz WYBRACHTUMGBIO-NSHDSACASA-N 0 1 244.294 2.124 20 0 BEADMN Cc1ccc(-n2[nH]c([C@H]3CCOC3)cc2=O)cc1 ZINC000634583044 342800201 /nfs/dbraw/zinc/80/02/01/342800201.db2.gz KARSLYASNVSUKN-NSHDSACASA-N 0 1 244.294 2.124 20 0 BEADMN CC[C@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC000188385519 538978822 /nfs/dbraw/zinc/97/88/22/538978822.db2.gz IJUQKBXFSJQKSM-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN [O-]c1cccc2c(NC[C@H]3C[C@@H](O)C3)cc[nH+]c12 ZINC000624666512 342813658 /nfs/dbraw/zinc/81/36/58/342813658.db2.gz FSKBWKHVIIBNGR-AOOOYVTPSA-N 0 1 244.294 2.123 20 0 BEADMN FC1(F)CCC[C@H]1NCC[C@H]1CCOC1 ZINC000380176838 538987037 /nfs/dbraw/zinc/98/70/37/538987037.db2.gz KFBVKOVKXCZSGB-VHSXEESVSA-N 0 1 219.275 2.190 20 0 BEADMN CC(C)=CCCN[C@H](C)c1nnc(C)o1 ZINC000380214263 538987306 /nfs/dbraw/zinc/98/73/06/538987306.db2.gz HVTCJGTUTAQZCX-SECBINFHSA-N 0 1 209.293 2.385 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2cocn2)CS1 ZINC000380255131 538987844 /nfs/dbraw/zinc/98/78/44/538987844.db2.gz QBZBJUVHNTWJIM-MWLCHTKSSA-N 0 1 226.345 2.294 20 0 BEADMN CCC(C)(C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000192224529 538994065 /nfs/dbraw/zinc/99/40/65/538994065.db2.gz KDSBKNQIXHQLCH-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN OC1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000380359900 538989919 /nfs/dbraw/zinc/98/99/19/538989919.db2.gz XXLWNEZXPWSBDQ-UDNWOFFPSA-N 0 1 219.275 2.067 20 0 BEADMN COCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172905210 346864962 /nfs/dbraw/zinc/86/49/62/346864962.db2.gz UIUGXSCHBBYKCH-LLVKDONJSA-N 0 1 205.301 2.080 20 0 BEADMN Cc1cccc(N(C)C(=O)CCc2cnc[nH]2)c1 ZINC000188869854 538980009 /nfs/dbraw/zinc/98/00/09/538980009.db2.gz SMSMGKVOTLUTGV-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN C[C@H](N[C@@H]1CCCC1(F)F)[C@H]1CCOC1 ZINC000379877374 538981155 /nfs/dbraw/zinc/98/11/55/538981155.db2.gz AUCDICXADYPDFI-LPEHRKFASA-N 0 1 219.275 2.189 20 0 BEADMN COCc1cccc(CN2CC3(CC3)C2)c1 ZINC000449370462 398292235 /nfs/dbraw/zinc/29/22/35/398292235.db2.gz KCTIXOQQBVCJBS-UHFFFAOYSA-N 0 1 217.312 2.429 20 0 BEADMN Cc1noc([C@@H](C)NCC2(C(C)C)CC2)n1 ZINC000381464518 539001254 /nfs/dbraw/zinc/00/12/54/539001254.db2.gz KVFDXZDMKJTXKP-SECBINFHSA-N 0 1 223.320 2.465 20 0 BEADMN O=C(CCc1cnc[nH]1)N(C1CC1)C1CCCC1 ZINC000193154129 539002127 /nfs/dbraw/zinc/00/21/27/539002127.db2.gz UPLKMIUDGWCXIS-UHFFFAOYSA-N 0 1 247.342 2.276 20 0 BEADMN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1nccn1C ZINC000381510503 539002694 /nfs/dbraw/zinc/00/26/94/539002694.db2.gz QVIPCQRZONEAHB-RKDXNWHRSA-N 0 1 229.274 2.259 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)NC2CSC2)n[nH]1 ZINC000381573013 539004175 /nfs/dbraw/zinc/00/41/75/539004175.db2.gz YHYCKKFYJNCPNY-HTQZYQBOSA-N 0 1 240.376 2.084 20 0 BEADMN Cc1nccc(N2CC3(C2)CCCO3)c1Cl ZINC000624543661 344005023 /nfs/dbraw/zinc/00/50/23/344005023.db2.gz GZVLBIZSDHZIDL-UHFFFAOYSA-N 0 1 238.718 2.413 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@@H]1CC12CCCCC2 ZINC000193742502 539007503 /nfs/dbraw/zinc/00/75/03/539007503.db2.gz CBNWVNNLJXLHFK-GFCCVEGCSA-N 0 1 247.342 2.181 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC(F)(F)C2)nn1 ZINC000384094339 539012377 /nfs/dbraw/zinc/01/23/77/539012377.db2.gz ZMQNDIKFMZGVTQ-SECBINFHSA-N 0 1 244.289 2.136 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC000192865207 538998600 /nfs/dbraw/zinc/99/86/00/538998600.db2.gz YUMDTPXVKQSMRP-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN CCc1cnc(CN[C@]2(CC)CCOC2)s1 ZINC000381452156 539000715 /nfs/dbraw/zinc/00/07/15/539000715.db2.gz HUSCNHJPLCLDCM-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000390269536 539020747 /nfs/dbraw/zinc/02/07/47/539020747.db2.gz RFDQMQZHSKSMFD-KCJUWKMLSA-N 0 1 223.247 2.046 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000390269536 539020749 /nfs/dbraw/zinc/02/07/49/539020749.db2.gz RFDQMQZHSKSMFD-KCJUWKMLSA-N 0 1 223.247 2.046 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000249355853 361980710 /nfs/dbraw/zinc/98/07/10/361980710.db2.gz YKAIQCUQMHUBBB-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000249355855 361980859 /nfs/dbraw/zinc/98/08/59/361980859.db2.gz YKAIQCUQMHUBBB-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccccc1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000036885923 398296462 /nfs/dbraw/zinc/29/64/62/398296462.db2.gz SDSCZVWIWLFNHW-UHFFFAOYSA-N 0 1 233.311 2.292 20 0 BEADMN CC(C)CN(C)Cc1cc2n(n1)CCCC2 ZINC000649498580 398296806 /nfs/dbraw/zinc/29/68/06/398296806.db2.gz PSTPZSDZYZVFAN-UHFFFAOYSA-N 0 1 221.348 2.307 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)c2cccc(C)c2)n[nH]1 ZINC000335633697 136241737 /nfs/dbraw/zinc/24/17/37/136241737.db2.gz YLDFQSBXKITDIQ-XLFHBGCDSA-N 0 1 249.339 2.290 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H]2C(C)C)s1 ZINC000389978028 539019371 /nfs/dbraw/zinc/01/93/71/539019371.db2.gz GTEZUGHRITWESP-VHSXEESVSA-N 0 1 225.361 2.371 20 0 BEADMN CC[C@H]1CCCN(Cc2cncc(OC)n2)C1 ZINC000625061263 342847583 /nfs/dbraw/zinc/84/75/83/342847583.db2.gz NFNVTGNKFWWUKP-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)c2cccs2)n[nH]1 ZINC000335647133 136243959 /nfs/dbraw/zinc/24/39/59/136243959.db2.gz IBFBCWGWVVXEJR-XHLQUELWSA-N 0 1 241.341 2.043 20 0 BEADMN Cc1ccc(CCC[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000583999396 342866059 /nfs/dbraw/zinc/86/60/59/342866059.db2.gz HXLYGRCMUKJRSM-AWEZNQCLSA-N 0 1 247.338 2.477 20 0 BEADMN CC(C)[C@H]1C[C@H](NCC(C)(F)F)CCO1 ZINC000382097693 398304925 /nfs/dbraw/zinc/30/49/25/398304925.db2.gz FJIDXGZSTXBULL-NXEZZACHSA-N 0 1 221.291 2.435 20 0 BEADMN CC[N@@H+](Cc1nc(C)ccc1O)C(C)C ZINC000132565060 398307196 /nfs/dbraw/zinc/30/71/96/398307196.db2.gz RDFMJSIQGQUDSV-UHFFFAOYSA-N 0 1 208.305 2.326 20 0 BEADMN OC[C@H]1CCCN1Cc1cc(O)ccc1Cl ZINC000625103993 342857976 /nfs/dbraw/zinc/85/79/76/342857976.db2.gz GQFNXIZYZYGGCN-SNVBAGLBSA-N 0 1 241.718 2.002 20 0 BEADMN c1cc(NCC[C@H]2CCOC2)nc2c1CCC2 ZINC000232555501 342858396 /nfs/dbraw/zinc/85/83/96/342858396.db2.gz NDVAIYUMRZUAQQ-NSHDSACASA-N 0 1 232.327 2.409 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000035296917 342886804 /nfs/dbraw/zinc/88/68/04/342886804.db2.gz DAKBWOYSRUNMSN-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000233851910 342912933 /nfs/dbraw/zinc/91/29/33/342912933.db2.gz WHWDZJXUMOWURA-YPMHNXCESA-N 0 1 227.348 2.465 20 0 BEADMN CCOC(=O)[C@H]1CCCN1[C@H]1CCC12CCC2 ZINC000602612031 349635932 /nfs/dbraw/zinc/63/59/32/349635932.db2.gz QWYCDZBAQCKZSW-NEPJUHHUSA-N 0 1 237.343 2.347 20 0 BEADMN CN(Cc1cc(O)ccc1Cl)C(C)(C)CO ZINC000625177204 342902669 /nfs/dbraw/zinc/90/26/69/342902669.db2.gz OWFIUIXHBZYVDE-UHFFFAOYSA-N 0 1 243.734 2.248 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])Cc1cccs1 ZINC000042487898 398324223 /nfs/dbraw/zinc/32/42/23/398324223.db2.gz IBKJCXFGVMSIQE-UHFFFAOYSA-N 0 1 227.329 2.435 20 0 BEADMN Cc1csc([C@@H](C)N[C@H](C)C2(CO)CC2)n1 ZINC000624012102 346874689 /nfs/dbraw/zinc/87/46/89/346874689.db2.gz RREIZZGKHJVNIU-NXEZZACHSA-N 0 1 240.372 2.263 20 0 BEADMN C[C@H](Cc1cccs1)NCc1csnn1 ZINC000036993163 342915607 /nfs/dbraw/zinc/91/56/07/342915607.db2.gz UWNSOMCPSXOHAH-MRVPVSSYSA-N 0 1 239.369 2.320 20 0 BEADMN CC[C@]1(C)CCN(Cc2cncc(OC)n2)C1 ZINC000625221534 342918386 /nfs/dbraw/zinc/91/83/86/342918386.db2.gz GRDYQNPEBJBOBS-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN CC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000045770807 342918782 /nfs/dbraw/zinc/91/87/82/342918782.db2.gz TWPAPJQSLGCMBI-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000045770807 342918783 /nfs/dbraw/zinc/91/87/83/342918783.db2.gz TWPAPJQSLGCMBI-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634585319 342928143 /nfs/dbraw/zinc/92/81/43/342928143.db2.gz CQDSMKJEUXATRF-TVQRCGJNSA-N 0 1 244.294 2.444 20 0 BEADMN CCCC[C@@H](CC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174533047 346883011 /nfs/dbraw/zinc/88/30/11/346883011.db2.gz IKTGVBDDOLZTRU-NXEZZACHSA-N 0 1 238.335 2.198 20 0 BEADMN CC(C)C1(CN2CC[C@@H](C)[S@@](=O)CC2)CC1 ZINC000602636466 349651066 /nfs/dbraw/zinc/65/10/66/349651066.db2.gz IISSLRZYFKDZPV-WBMJQRKESA-N 0 1 243.416 2.266 20 0 BEADMN O=c1cc(C[C@@H]2CCCO2)[nH]n1C1CCCC1 ZINC000634587902 342932620 /nfs/dbraw/zinc/93/26/20/342932620.db2.gz CDLVCXHAWQIGBV-LBPRGKRZSA-N 0 1 236.315 2.086 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000628155003 398336218 /nfs/dbraw/zinc/33/62/18/398336218.db2.gz NHCSSOYDUSXHNU-RYUDHWBXSA-N 0 1 219.332 2.483 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CCCOC2)cs1 ZINC000120757294 398337294 /nfs/dbraw/zinc/33/72/94/398337294.db2.gz KZQLYZLHEGVBRA-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN C[N@H+](Cc1nc(C(=O)[O-])cs1)[C@@H]1CC1(C)C ZINC000565106754 323021695 /nfs/dbraw/zinc/02/16/95/323021695.db2.gz LXQWYKZMGBRYSH-MRVPVSSYSA-N 0 1 240.328 2.072 20 0 BEADMN C[N@@H+](Cc1nc(C(=O)[O-])cs1)[C@@H]1CC1(C)C ZINC000565106754 323021696 /nfs/dbraw/zinc/02/16/96/323021696.db2.gz LXQWYKZMGBRYSH-MRVPVSSYSA-N 0 1 240.328 2.072 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)[C@H](C)[C@H](C)O1 ZINC000351654294 136249798 /nfs/dbraw/zinc/24/97/98/136249798.db2.gz YEYILNKHOHTYHH-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN Cc1oncc1-c1csc([C@H](C)N)n1 ZINC000084388590 398342364 /nfs/dbraw/zinc/34/23/64/398342364.db2.gz MLUQJGHZWAJQAX-YFKPBYRVSA-N 0 1 209.274 2.126 20 0 BEADMN CC(C)(C)O[C@H]1C[C@@H](N[C@H]2CCn3ccnc32)C1 ZINC000647343256 398343192 /nfs/dbraw/zinc/34/31/92/398343192.db2.gz JXHZLDRIBRZFEF-TUAOUCFPSA-N 0 1 249.358 2.264 20 0 BEADMN CCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367576507 398343308 /nfs/dbraw/zinc/34/33/08/398343308.db2.gz QOUGLUTXDLLSSU-CHWSQXEVSA-N 0 1 227.348 2.056 20 0 BEADMN CCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000367576511 398343363 /nfs/dbraw/zinc/34/33/63/398343363.db2.gz QOUGLUTXDLLSSU-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H]1CCc2c(=O)n(CCc3ccccc3)[nH]c21 ZINC000634592167 342945831 /nfs/dbraw/zinc/94/58/31/342945831.db2.gz AKRAYAMUWVXPNS-AAEUAGOBSA-N 0 1 242.322 2.473 20 0 BEADMN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cl)cn3)N=C12 ZINC000634593227 342950973 /nfs/dbraw/zinc/95/09/73/342950973.db2.gz IRQPAUOLLWBMOI-VXNVDRBHSA-N 0 1 249.701 2.484 20 0 BEADMN O=c1c2c([nH]n1CCc1ccccc1)CCC2 ZINC000634593397 342950996 /nfs/dbraw/zinc/95/09/96/342950996.db2.gz NLSKGRBNJUWZQI-GFCCVEGCSA-N 0 1 228.295 2.227 20 0 BEADMN CCC[C@@H]1C[N@@H+](CC[C@@H](C)F)CCO1 ZINC000351761867 136252479 /nfs/dbraw/zinc/25/24/79/136252479.db2.gz XXNIJIXHNRMAEF-GHMZBOCLSA-N 0 1 203.301 2.235 20 0 BEADMN CCC[C@@H]1CN(CC[C@@H](C)F)CCO1 ZINC000351761867 136252480 /nfs/dbraw/zinc/25/24/80/136252480.db2.gz XXNIJIXHNRMAEF-GHMZBOCLSA-N 0 1 203.301 2.235 20 0 BEADMN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)cn3)N=C12 ZINC000634593224 342951077 /nfs/dbraw/zinc/95/10/77/342951077.db2.gz IRQPAUOLLWBMOI-APPZFPTMSA-N 0 1 249.701 2.484 20 0 BEADMN CO[C@@H]1CCN(Cc2ccncc2F)[C@H](C)C1 ZINC000336210110 536687299 /nfs/dbraw/zinc/68/72/99/536687299.db2.gz HDUGEGMQTANGIF-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN OC1(CN[C@@H](CF)c2ccc(F)cc2)CCC1 ZINC000634730022 344019335 /nfs/dbraw/zinc/01/93/35/344019335.db2.gz HKMGWHJGZWMQSD-LBPRGKRZSA-N 0 1 241.281 2.341 20 0 BEADMN CCOC(=O)CN(CCCCF)CC(C)C ZINC000351853747 136258127 /nfs/dbraw/zinc/25/81/27/136258127.db2.gz CNWIIUIRMRFEAM-UHFFFAOYSA-N 0 1 233.327 2.257 20 0 BEADMN CC(=O)c1cccc(CN2CCCC2)c1 ZINC000214462972 349723120 /nfs/dbraw/zinc/72/31/20/349723120.db2.gz BPSOKYBWZAICFD-UHFFFAOYSA-N 0 1 203.285 2.485 20 0 BEADMN CC[C@H]1C(=O)N(c2cc(C)ncn2)N=C1C(C)C ZINC000634600646 342993592 /nfs/dbraw/zinc/99/35/92/342993592.db2.gz NURQYAJWZHCKHS-SNVBAGLBSA-N 0 1 246.314 2.170 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634597926 342977913 /nfs/dbraw/zinc/97/79/13/342977913.db2.gz YUXAOXRNJUOXJP-WCABBAIRSA-N 0 1 220.316 2.419 20 0 BEADMN COCCc1cc(=O)n([C@H]2CCC[C@H](C)C2)[nH]1 ZINC000634599163 342987259 /nfs/dbraw/zinc/98/72/59/342987259.db2.gz BXUZMVOBAHXLSF-JQWIXIFHSA-N 0 1 238.331 2.190 20 0 BEADMN Cc1[nH]n([C@@H]2CCC[C@H](C)C2)c(=O)c1C ZINC000634599439 342988038 /nfs/dbraw/zinc/98/80/38/342988038.db2.gz IOQGOGMFICBSGV-ATZCPNFKSA-N 0 1 208.305 2.419 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1C ZINC000083411046 259338157 /nfs/dbraw/zinc/33/81/57/259338157.db2.gz OFSDAJVKEAMIPL-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN CCCCc1cc(=O)n(CCc2ccncc2)[nH]1 ZINC000634599736 342989025 /nfs/dbraw/zinc/98/90/25/342989025.db2.gz OTTOYRAOLNUJLN-UHFFFAOYSA-N 0 1 245.326 2.403 20 0 BEADMN CC1(C)C[N@@H+](CCOCC2CC2)CCS1 ZINC000083419054 259338190 /nfs/dbraw/zinc/33/81/90/259338190.db2.gz PWYDKDINPSFQEY-UHFFFAOYSA-N 0 1 229.389 2.240 20 0 BEADMN C[C@@H]1CCC2=NN(c3ncccc3F)C(=O)[C@@H]2C1 ZINC000634605205 342999003 /nfs/dbraw/zinc/99/90/03/342999003.db2.gz DHGKAJUTAGUOLW-RKDXNWHRSA-N 0 1 247.273 2.360 20 0 BEADMN CCN(C#N)CCNC1(c2cccc(F)c2)CC1 ZINC000602804392 349743490 /nfs/dbraw/zinc/74/34/90/349743490.db2.gz FXZKBQLKUJMUCA-UHFFFAOYSA-N 0 1 247.317 2.207 20 0 BEADMN Cc1cnccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000634606497 343001821 /nfs/dbraw/zinc/00/18/21/343001821.db2.gz UNMJKFUHNKNQGV-PELKAZGASA-N 0 1 229.283 2.139 20 0 BEADMN Cc1cc(C(=O)CN(C)CC2CC2)c(C)[nH]1 ZINC000037903945 343002015 /nfs/dbraw/zinc/00/20/15/343002015.db2.gz MAKPSZKJZCHRJI-UHFFFAOYSA-N 0 1 220.316 2.156 20 0 BEADMN CC[C@@H]1C(=O)N(c2ncc(F)cc2F)N=C1C ZINC000634608640 343004456 /nfs/dbraw/zinc/00/44/56/343004456.db2.gz IOIWLAQLMQNULI-QMMMGPOBSA-N 0 1 239.225 2.109 20 0 BEADMN CCc1c(C)[nH]n(-c2ccncc2Cl)c1=O ZINC000634608681 343004684 /nfs/dbraw/zinc/00/46/84/343004684.db2.gz JPRZPEJJUQTKHD-MRVPVSSYSA-N 0 1 237.690 2.484 20 0 BEADMN CC(C)(C)OC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000602758968 349732180 /nfs/dbraw/zinc/73/21/80/349732180.db2.gz IMPXFAYJTLTVGA-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN CCSCC[C@H](C)N(C)CC(C)=O ZINC000602791362 349734961 /nfs/dbraw/zinc/73/49/61/349734961.db2.gz ADMMECXJXNCZCI-VIFPVBQESA-N 0 1 203.351 2.039 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000037932908 343014126 /nfs/dbraw/zinc/01/41/26/343014126.db2.gz MDBFCQUKQCJFGQ-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CCN(C#N)CCN[C@@H](C)c1ccsc1 ZINC000602824696 349763923 /nfs/dbraw/zinc/76/39/23/349763923.db2.gz PIMQPTZZNOIHTB-JTQLQIEISA-N 0 1 223.345 2.202 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CC[C@H]2C ZINC000634619057 343017978 /nfs/dbraw/zinc/01/79/78/343017978.db2.gz NKGISWKVOBKLJQ-ZJUUUORDSA-N 0 1 208.305 2.421 20 0 BEADMN CCc1[nH]n(-c2ccnc(C)c2)c(=O)c1C ZINC000634619156 343018526 /nfs/dbraw/zinc/01/85/26/343018526.db2.gz QKUDORHLZWSPCQ-VIFPVBQESA-N 0 1 217.272 2.139 20 0 BEADMN C=CCCCCC[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000235462065 343018558 /nfs/dbraw/zinc/01/85/58/343018558.db2.gz XQELYRJQPMJESU-LLVKDONJSA-N 0 1 213.321 2.385 20 0 BEADMN O=c1cc(Cc2ccccc2)[nH]n1C12CC(C1)C2 ZINC000634625071 343025220 /nfs/dbraw/zinc/02/52/20/343025220.db2.gz XLEHPHQOBWQOQD-UHFFFAOYSA-N 0 1 240.306 2.370 20 0 BEADMN C[C@H]1CCc2[nH]n(C34CC(C3)C4)c(=O)c2C1 ZINC000634625014 343026506 /nfs/dbraw/zinc/02/65/06/343026506.db2.gz WNGRMIOPBAEMJF-CUYBNKCWSA-N 0 1 218.300 2.173 20 0 BEADMN CCCCC1=NN(CC(F)F)C(=O)[C@@H]1C ZINC000634623217 343026752 /nfs/dbraw/zinc/02/67/52/343026752.db2.gz ZSKSGABKHIECRX-SSDOTTSWSA-N 0 1 218.247 2.276 20 0 BEADMN CCCCc1[nH]n(CC(F)F)c(=O)c1C ZINC000634623217 343026754 /nfs/dbraw/zinc/02/67/54/343026754.db2.gz ZSKSGABKHIECRX-SSDOTTSWSA-N 0 1 218.247 2.276 20 0 BEADMN C[C@H]1CCc2[nH]n(C34CC(C3)C4)c(=O)c2C1 ZINC000634625017 343027320 /nfs/dbraw/zinc/02/73/20/343027320.db2.gz WNGRMIOPBAEMJF-SVPDRVBRSA-N 0 1 218.300 2.173 20 0 BEADMN Cc1n[nH]cc1CNCc1ccsc1 ZINC000037989249 343039920 /nfs/dbraw/zinc/03/99/20/343039920.db2.gz XOXMUEDRITZYRI-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN C[C@H](n1[nH]c(C2CCC2)cc1=O)C(F)(F)F ZINC000634631318 343041991 /nfs/dbraw/zinc/04/19/91/343041991.db2.gz QVCVFBQSJPHYJK-LURJTMIESA-N 0 1 234.221 2.326 20 0 BEADMN CC[N@@H+](Cc1cncn1C)C1CCCC1 ZINC000177011487 346920902 /nfs/dbraw/zinc/92/09/02/346920902.db2.gz PKSNDYYGXSJQMR-UHFFFAOYSA-N 0 1 207.321 2.185 20 0 BEADMN CC[C@H](C(N)=O)N(C)C/C(C)=C\c1ccccc1 ZINC000494293077 529628171 /nfs/dbraw/zinc/62/81/71/529628171.db2.gz LZDGUQNICCSUQJ-GAJOTYCWSA-N 0 1 246.354 2.286 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@@H]2CCSC2)[nH]1 ZINC000634627559 343033743 /nfs/dbraw/zinc/03/37/43/343033743.db2.gz FRVSIVJFOSNDJX-RKDXNWHRSA-N 0 1 226.345 2.126 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2O)C1 ZINC000235320793 259343133 /nfs/dbraw/zinc/34/31/33/259343133.db2.gz MDRWTWUVBINJNR-SCZZXKLOSA-N 0 1 237.274 2.450 20 0 BEADMN C/C=C/CNCc1nn(C)c2ccccc12 ZINC000384735352 344025569 /nfs/dbraw/zinc/02/55/69/344025569.db2.gz BYPGNVOVIGAYCI-ONEGZZNKSA-N 0 1 215.300 2.239 20 0 BEADMN CC[C@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000174452831 529636914 /nfs/dbraw/zinc/63/69/14/529636914.db2.gz JLGQAMJXYIYVQT-QMMMGPOBSA-N 0 1 249.289 2.364 20 0 BEADMN CCCCc1cc(=O)n([C@@H]2CCOC2(C)C)[nH]1 ZINC000634632108 343043668 /nfs/dbraw/zinc/04/36/68/343043668.db2.gz JQMMPBNOGOOWST-LLVKDONJSA-N 0 1 238.331 2.332 20 0 BEADMN C[C@@H](Cn1ccnc1CN)c1ccccc1 ZINC000384343397 343092218 /nfs/dbraw/zinc/09/22/18/343092218.db2.gz YEUCBGISNRTEFU-NSHDSACASA-N 0 1 215.300 2.146 20 0 BEADMN C[C@@H](Cc1nc(C2(N)CCC2)no1)c1ccco1 ZINC000634556421 362046634 /nfs/dbraw/zinc/04/66/34/362046634.db2.gz RVVJMIQOEPNBMP-VIFPVBQESA-N 0 1 247.298 2.347 20 0 BEADMN CCN(Cc1nncn1C)[C@H]1CCCC[C@@H]1C ZINC000120087219 343107904 /nfs/dbraw/zinc/10/79/04/343107904.db2.gz YUTDSASOEGCKLK-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2ccc(F)cc2)nn1 ZINC000640846604 362063692 /nfs/dbraw/zinc/06/36/92/362063692.db2.gz BYODKBQGUHONJB-ZJUUUORDSA-N 0 1 248.305 2.307 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000049815024 343121955 /nfs/dbraw/zinc/12/19/55/343121955.db2.gz IFTZFEWMNHDZTF-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccc(C)cc2C)nn1 ZINC000640943840 362089771 /nfs/dbraw/zinc/08/97/71/362089771.db2.gz CQNGMDTVNDJNJW-GFCCVEGCSA-N 0 1 244.342 2.224 20 0 BEADMN CNC(C)(C)c1cn(CCC=C(C)C)nn1 ZINC000640945673 362093056 /nfs/dbraw/zinc/09/30/56/362093056.db2.gz OJRZEONXRSEZEX-UHFFFAOYSA-N 0 1 222.336 2.089 20 0 BEADMN COc1ccc(CN(C)CCCO)c(Cl)c1 ZINC000259000962 343128688 /nfs/dbraw/zinc/12/86/88/343128688.db2.gz MGXDJJARGDURHL-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])n1 ZINC000129433747 343177569 /nfs/dbraw/zinc/17/75/69/343177569.db2.gz BKFDLBWODAJOCE-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCC1 ZINC000127597190 343178475 /nfs/dbraw/zinc/17/84/75/343178475.db2.gz SJIKFGHBBZEINX-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(C(=O)[O-])CC2)CC1(C)C ZINC000569700900 323037624 /nfs/dbraw/zinc/03/76/24/323037624.db2.gz LYJGVBWIBQPLFS-SNVBAGLBSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccc(F)cc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000097850410 343155696 /nfs/dbraw/zinc/15/56/96/343155696.db2.gz NEANIWCWUAYBRT-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762053 343157149 /nfs/dbraw/zinc/15/71/49/343157149.db2.gz ADYOPTGYCZFDGU-SNVBAGLBSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762666 343157163 /nfs/dbraw/zinc/15/71/63/343157163.db2.gz XJCWALCVOPDVMM-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762169 343157206 /nfs/dbraw/zinc/15/72/06/343157206.db2.gz PYACUGLSDDONSZ-JTQLQIEISA-N 0 1 236.315 2.258 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762168 343157291 /nfs/dbraw/zinc/15/72/91/343157291.db2.gz PYACUGLSDDONSZ-SNVBAGLBSA-N 0 1 236.315 2.258 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762222 343157303 /nfs/dbraw/zinc/15/73/03/343157303.db2.gz ASQOZRYTPUGJEX-JTQLQIEISA-N 0 1 236.315 2.400 20 0 BEADMN CC(C)CC1(CNC(=O)[C@H]2CCCN2C)CC1 ZINC000150751570 136273618 /nfs/dbraw/zinc/27/36/18/136273618.db2.gz YLZPUZYGQVHAOM-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000122134442 343158207 /nfs/dbraw/zinc/15/82/07/343158207.db2.gz GVNPENYOVPLUKQ-CQSZACIVSA-N 0 1 247.338 2.416 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000123857900 343166384 /nfs/dbraw/zinc/16/63/84/343166384.db2.gz UEGZJJIMFOSEGK-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1ncc(Cl)s1 ZINC000309209087 136274833 /nfs/dbraw/zinc/27/48/33/136274833.db2.gz SLPSGBDMSPNBLH-HTQZYQBOSA-N 0 1 248.779 2.293 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000159988944 343203088 /nfs/dbraw/zinc/20/30/88/343203088.db2.gz UZALOUOCLBWSRB-AOOOYVTPSA-N 0 1 235.283 2.210 20 0 BEADMN Cc1cccnc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000161047725 343204048 /nfs/dbraw/zinc/20/40/48/343204048.db2.gz TUFDJEZIRABDCD-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000162053779 343205076 /nfs/dbraw/zinc/20/50/76/343205076.db2.gz IRXJSWQUIWMALX-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162098860 343205289 /nfs/dbraw/zinc/20/52/89/343205289.db2.gz NFCHJMQVECJBBT-TUAOUCFPSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000165521909 343211692 /nfs/dbraw/zinc/21/16/92/343211692.db2.gz GHNZSTCZVWOQHN-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](CC)C1 ZINC000166418930 343213202 /nfs/dbraw/zinc/21/32/02/343213202.db2.gz AMTBDGAYSKFAMB-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)CC[C@@H](CN2CCO[C@H](C3CC3)C2)O1 ZINC000334148195 343217116 /nfs/dbraw/zinc/21/71/16/343217116.db2.gz XZEVZGUAHUSXKB-STQMWFEESA-N 0 1 239.359 2.055 20 0 BEADMN CC(F)(F)CN[C@@H]1CCOC(C)(C)C1 ZINC000634683877 343217880 /nfs/dbraw/zinc/21/78/80/343217880.db2.gz BOZYOKXUYDVXQV-MRVPVSSYSA-N 0 1 207.264 2.189 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000132626894 343188727 /nfs/dbraw/zinc/18/87/27/343188727.db2.gz VREXOROBDFGJMZ-WDEREUQCSA-N 0 1 243.347 2.129 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885395 343221626 /nfs/dbraw/zinc/22/16/26/343221626.db2.gz LQSUDCYAEJSYCU-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN Cc1ccncc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000135552601 343193241 /nfs/dbraw/zinc/19/32/41/343193241.db2.gz POIBELIDLKZJEU-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CCN(CC(=O)OC(C)(C)C)[C@@H]1C ZINC000177870276 136274173 /nfs/dbraw/zinc/27/41/73/136274173.db2.gz RQZDQPZVWHPYNC-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN CCO[C@H](C[N@H+]1CC[C@@H](C)[C@H](F)C1)C1CC1 ZINC000625314293 343230805 /nfs/dbraw/zinc/23/08/05/343230805.db2.gz OAUVRBUMFHBJPR-RAIGVLPGSA-N 0 1 229.339 2.481 20 0 BEADMN Cn1cc(CN[C@@H]2CCOc3ccccc32)cn1 ZINC000034996502 343282825 /nfs/dbraw/zinc/28/28/25/343282825.db2.gz RFRVIQVDTYMRJM-CYBMUJFWSA-N 0 1 243.310 2.034 20 0 BEADMN CN(CC(=O)c1cccn1C)C1CCCCC1 ZINC000035018582 343283255 /nfs/dbraw/zinc/28/32/55/343283255.db2.gz NAYMHWUBPCMWOX-UHFFFAOYSA-N 0 1 234.343 2.472 20 0 BEADMN CC(C)C[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330340 343255949 /nfs/dbraw/zinc/25/59/49/343255949.db2.gz BQRYMRQIXHTOQT-UHFFFAOYSA-N 0 1 211.261 2.066 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330356 343256017 /nfs/dbraw/zinc/25/60/17/343256017.db2.gz GXYLNAQHJQDEIQ-SECBINFHSA-N 0 1 225.288 2.456 20 0 BEADMN CCC[N@@H+](CC)Cc1cc(C(=O)[O-])co1 ZINC000051330330 343256284 /nfs/dbraw/zinc/25/62/84/343256284.db2.gz NKXYWSJUTDAZHJ-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CCC[C@H](C)CCC[N@H+]1CCc2nn[nH]c2C1 ZINC000625366561 343261136 /nfs/dbraw/zinc/26/11/36/343261136.db2.gz ZXARZNPJTRGYAG-NSHDSACASA-N 0 1 236.363 2.379 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CC=CCC2)c1 ZINC000634690066 343271647 /nfs/dbraw/zinc/27/16/47/343271647.db2.gz CEOCQPCURTVWCO-ZDUSSCGKSA-N 0 1 247.294 2.083 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2CC=CCC2)c1 ZINC000634690066 343271650 /nfs/dbraw/zinc/27/16/50/343271650.db2.gz CEOCQPCURTVWCO-ZDUSSCGKSA-N 0 1 247.294 2.083 20 0 BEADMN CC(C)c1nc(CN[C@H](C)[C@@H](C)CO)cs1 ZINC000164322788 136292345 /nfs/dbraw/zinc/29/23/45/136292345.db2.gz SFJCGKGYQRINAK-VHSXEESVSA-N 0 1 242.388 2.373 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](CC)CC1 ZINC000070609735 343334217 /nfs/dbraw/zinc/33/42/17/343334217.db2.gz BGRGSVNMVPVRPK-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000035298430 343292785 /nfs/dbraw/zinc/29/27/85/343292785.db2.gz SBRMKGSUQOSZJU-CYBMUJFWSA-N 0 1 249.310 2.005 20 0 BEADMN CC[C@H]1C[C@@H](NCc2cscn2)CCO1 ZINC000069891445 343293654 /nfs/dbraw/zinc/29/36/54/343293654.db2.gz SRQFIPZBLWTPCV-ONGXEEELSA-N 0 1 226.345 2.190 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000213725743 343297357 /nfs/dbraw/zinc/29/73/57/343297357.db2.gz SSSXHDRLTJSDLC-IRBQFCFKSA-N 0 1 231.295 2.106 20 0 BEADMN C[C@H](O)CN[C@@H](c1ccco1)c1ccccc1 ZINC000035601699 343298981 /nfs/dbraw/zinc/29/89/81/343298981.db2.gz JUFSDXAMQOZBQX-SMDDNHRTSA-N 0 1 231.295 2.339 20 0 BEADMN Cc1cc(CNCCc2cccs2)no1 ZINC000070162313 343303941 /nfs/dbraw/zinc/30/39/41/343303941.db2.gz CKGIAMJKPFYMOT-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN C[C@@H](NC(=O)CN1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000625380668 343365719 /nfs/dbraw/zinc/36/57/19/343365719.db2.gz KOSMONAAMNZRAI-RWMBFGLXSA-N 0 1 246.354 2.347 20 0 BEADMN CC1=C[C@@H](C)CN(CC(=O)NCC(C)(C)C)C1 ZINC000625387858 343369107 /nfs/dbraw/zinc/36/91/07/343369107.db2.gz INSXQHFADIAQFF-LLVKDONJSA-N 0 1 238.375 2.047 20 0 BEADMN CC1=C[C@H](C)CN(CC(=O)NCC(C)(C)C)C1 ZINC000625387859 343369115 /nfs/dbraw/zinc/36/91/15/343369115.db2.gz INSXQHFADIAQFF-NSHDSACASA-N 0 1 238.375 2.047 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)c2ccccc2C)n[nH]1 ZINC000335631249 136300422 /nfs/dbraw/zinc/30/04/22/136300422.db2.gz NJFLVJAHGHWHCM-VVVCHXIZSA-N 0 1 249.339 2.290 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cccc(F)c1F ZINC000335630350 136300453 /nfs/dbraw/zinc/30/04/53/136300453.db2.gz CQHXLNPNAXONGI-LLVKDONJSA-N 0 1 241.281 2.310 20 0 BEADMN Cc1noc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000335673489 136317173 /nfs/dbraw/zinc/31/71/73/136317173.db2.gz KKROGNXQBQVFRJ-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000335673489 136317174 /nfs/dbraw/zinc/31/71/74/136317174.db2.gz KKROGNXQBQVFRJ-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN COc1cncc(CN2[C@H](C)C[C@H]2C)c1 ZINC000335673263 136317283 /nfs/dbraw/zinc/31/72/83/136317283.db2.gz ZTVUKXGKNOHMTQ-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN Cc1noc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000335673486 136317511 /nfs/dbraw/zinc/31/75/11/136317511.db2.gz KKROGNXQBQVFRJ-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1noc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000335673486 136317512 /nfs/dbraw/zinc/31/75/12/136317512.db2.gz KKROGNXQBQVFRJ-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@H]1CCC[C@H](C)N(C(=O)c2cnc[nH]2)C1 ZINC000335675589 136318367 /nfs/dbraw/zinc/31/83/67/136318367.db2.gz WIAAXURFJYNROE-UWVGGRQHSA-N 0 1 221.304 2.060 20 0 BEADMN c1nc(CN2CCC[C@H]3COCC[C@H]32)cs1 ZINC000335658650 136307440 /nfs/dbraw/zinc/30/74/40/136307440.db2.gz AWDDGWCUFSQKKA-CMPLNLGQSA-N 0 1 238.356 2.144 20 0 BEADMN Cc1ccncc1C[N@H+](CCN(C)C)CC(C)C ZINC000348893807 136308977 /nfs/dbraw/zinc/30/89/77/136308977.db2.gz MWIJDFMPPFHJKL-UHFFFAOYSA-N 0 1 249.402 2.410 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1csc(C)n1 ZINC000041010664 343412303 /nfs/dbraw/zinc/41/23/03/343412303.db2.gz IKNRYGSJXQPNLN-VXGBXAGGSA-N 0 1 240.372 2.499 20 0 BEADMN CCNCc1cn(CCC2=CCCCC2)nn1 ZINC000641079293 362191621 /nfs/dbraw/zinc/19/16/21/362191621.db2.gz NQOKSXHNKOGZHU-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000335679055 136319941 /nfs/dbraw/zinc/31/99/41/136319941.db2.gz LEEPBSUNMXZNSR-PHIMTYICSA-N 0 1 245.326 2.159 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H]2CCCC[C@H]2C)nn1 ZINC000641087306 362209250 /nfs/dbraw/zinc/20/92/50/362209250.db2.gz CPLXJIZLMGZYHM-UTUOFQBUSA-N 0 1 236.363 2.385 20 0 BEADMN CCN(CCOC)Cc1cnn(C(C)(C)C)c1 ZINC000349860394 136352687 /nfs/dbraw/zinc/35/26/87/136352687.db2.gz FTBMTWNEZYJYJI-UHFFFAOYSA-N 0 1 239.363 2.106 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Cn1cc(CNC2CC2)nn1 ZINC000641088122 362211737 /nfs/dbraw/zinc/21/17/37/362211737.db2.gz LDLKCJMLZCZVCP-VXGBXAGGSA-N 0 1 248.374 2.356 20 0 BEADMN CC1CCC(CC(=O)N2CCN[C@@H](C)C2)CC1 ZINC000335700328 136333546 /nfs/dbraw/zinc/33/35/46/136333546.db2.gz VMYXLOQHEDTJSS-CPCZMJQVSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@@H](C)CN(C)Cc1ccccc1F ZINC000042207290 343431561 /nfs/dbraw/zinc/43/15/61/343431561.db2.gz MKPLATNKACGESF-JTQLQIEISA-N 0 1 239.290 2.067 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC(C)(C)C2)c1C ZINC000335705765 136335721 /nfs/dbraw/zinc/33/57/21/136335721.db2.gz KZFBPQMTPPLLAK-SNVBAGLBSA-N 0 1 235.331 2.335 20 0 BEADMN CC1(C)CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000335706960 136336233 /nfs/dbraw/zinc/33/62/33/136336233.db2.gz PLEVARODHXYTHK-SECBINFHSA-N 0 1 247.342 2.207 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000335716695 136339470 /nfs/dbraw/zinc/33/94/70/136339470.db2.gz KUVSBNOHLABSJF-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1oncc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000335720074 136340715 /nfs/dbraw/zinc/34/07/15/136340715.db2.gz NBFWMPSTQYLCGW-NSHDSACASA-N 0 1 206.289 2.215 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2nnc3n2CCCC3)C1 ZINC000335842499 136354410 /nfs/dbraw/zinc/35/44/10/136354410.db2.gz NQRAUPIIHMAEAW-GFCCVEGCSA-N 0 1 248.374 2.092 20 0 BEADMN CC(C)n1cc(CN2[C@H](C)C[C@H]2C)cn1 ZINC000335850545 136355310 /nfs/dbraw/zinc/35/53/10/136355310.db2.gz VMCQJLTYWZOFTB-GHMZBOCLSA-N 0 1 207.321 2.447 20 0 BEADMN CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000350208054 136356582 /nfs/dbraw/zinc/35/65/82/136356582.db2.gz JFVAJORQZINOPI-NWDGAFQWSA-N 0 1 240.391 2.268 20 0 BEADMN c1ccc([C@H]2COCCN2C[C@H]2CCOC2)cc1 ZINC000335896769 136359461 /nfs/dbraw/zinc/35/94/61/136359461.db2.gz LUSUEYHIHMRMCG-UKRRQHHQSA-N 0 1 247.338 2.096 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000335899256 136360005 /nfs/dbraw/zinc/36/00/05/136360005.db2.gz XSLZWLBDYHANLF-LBPRGKRZSA-N 0 1 221.348 2.351 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCCCCF ZINC000308926503 346940627 /nfs/dbraw/zinc/94/06/27/346940627.db2.gz MGGWEKWJCCLOJY-SNVBAGLBSA-N 0 1 217.284 2.065 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCc2cccnc2)n1 ZINC000351063633 136366979 /nfs/dbraw/zinc/36/69/79/136366979.db2.gz NCDHSWMSAGVUJX-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN CC(C)OCCCN1CCO[C@@H](C(C)C)C1 ZINC000351196297 136368580 /nfs/dbraw/zinc/36/85/80/136368580.db2.gz AYULTCUHSLPUFO-CYBMUJFWSA-N 0 1 229.364 2.158 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](O)C1 ZINC000351805515 136370598 /nfs/dbraw/zinc/37/05/98/136370598.db2.gz CHMMMUYOZNRXQO-VYUIOLGVSA-N 0 1 241.281 2.338 20 0 BEADMN CSCCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000083406606 343482493 /nfs/dbraw/zinc/48/24/93/343482493.db2.gz FJQWALMHXOHADH-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN C[C@@H](CO)CN(C)Cc1ccccc1Cl ZINC000128394336 343486492 /nfs/dbraw/zinc/48/64/92/343486492.db2.gz LOQUAUUDISVABL-SNVBAGLBSA-N 0 1 227.735 2.400 20 0 BEADMN CCN(CC(=O)NC(C)C)Cc1ccccc1C ZINC000042976924 343462040 /nfs/dbraw/zinc/46/20/40/343462040.db2.gz GZNHDRWDAFKKIE-UHFFFAOYSA-N 0 1 248.370 2.342 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000577006558 365756309 /nfs/dbraw/zinc/75/63/09/365756309.db2.gz YTVQWCPZWSHNHL-KDBYPZKRSA-N 0 1 249.354 2.384 20 0 BEADMN CCN(C)C(=O)CN[C@H](C)c1cc(C)oc1C ZINC000044730364 343513140 /nfs/dbraw/zinc/51/31/40/343513140.db2.gz PWUKKSBBXFNPEK-SNVBAGLBSA-N 0 1 238.331 2.025 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](CCCCC(=O)[O-])C1 ZINC000084049477 343515811 /nfs/dbraw/zinc/51/58/11/343515811.db2.gz UANWPSQMLHAWDQ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc2nc[nH]c21 ZINC000584091540 343537047 /nfs/dbraw/zinc/53/70/47/343537047.db2.gz ADYLFWCOGCNLAA-CMPLNLGQSA-N 0 1 241.294 2.091 20 0 BEADMN CC(C)(C(=O)N1C[C@@H]2CCCC[C@@H]21)c1c[nH]cn1 ZINC000616723822 343550872 /nfs/dbraw/zinc/55/08/72/343550872.db2.gz VKUFHRQMKHDKBM-QWRGUYRKSA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)(C)CNCc1n[nH]cc1Br ZINC000379408093 343500157 /nfs/dbraw/zinc/50/01/57/343500157.db2.gz AKFNSXCWVVYDGH-UHFFFAOYSA-N 0 1 246.152 2.308 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC2CCC2)[C@@H]1C(=O)[O-] ZINC000398745568 488223414 /nfs/dbraw/zinc/22/34/14/488223414.db2.gz UHAHSXVJSDFXMB-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H]1CC[C@H]1NCc1nnc(C)s1 ZINC000379580889 343577080 /nfs/dbraw/zinc/57/70/80/343577080.db2.gz ZZLZCEQCNOMLNU-DTWKUNHWSA-N 0 1 211.334 2.125 20 0 BEADMN O=C(NCC1=CCCC1)c1cccc2nc[nH]c21 ZINC000620006895 343557113 /nfs/dbraw/zinc/55/71/13/343557113.db2.gz GZCYRYZLYPKJMJ-UHFFFAOYSA-N 0 1 241.294 2.403 20 0 BEADMN CSCCCN1CCC[C@H]1c1ncccn1 ZINC000602900402 349815819 /nfs/dbraw/zinc/81/58/19/349815819.db2.gz TVNKKTOIMNMOPQ-NSHDSACASA-N 0 1 237.372 2.367 20 0 BEADMN CC(C)CC(C)(C)C(=O)N(C)CC1CN(C)C1 ZINC000618192277 343584119 /nfs/dbraw/zinc/58/41/19/343584119.db2.gz IZCCVZHEKYZWTL-UHFFFAOYSA-N 0 1 240.391 2.079 20 0 BEADMN CCN(Cc1cccs1)CC(OC)OC ZINC000085351349 343591747 /nfs/dbraw/zinc/59/17/47/343591747.db2.gz QWKXUHOUTDBYET-UHFFFAOYSA-N 0 1 229.345 2.189 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398790826 488224478 /nfs/dbraw/zinc/22/44/78/488224478.db2.gz PKSQZWONBGRMDG-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)c1nc(C[S@@](=O)C2CCCC2)n[nH]1 ZINC000330221221 537786426 /nfs/dbraw/zinc/78/64/26/537786426.db2.gz LMWCBWDEZKXHAX-MRXNPFEDSA-N 0 1 241.360 2.119 20 0 BEADMN CCc1nc(NC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000493451660 529742222 /nfs/dbraw/zinc/74/22/22/529742222.db2.gz NCLHTVNXXXMDDJ-FPLPWBNLSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=CC2CCCC2)n1 ZINC000493451660 529742223 /nfs/dbraw/zinc/74/22/23/529742223.db2.gz NCLHTVNXXXMDDJ-FPLPWBNLSA-N 0 1 234.303 2.052 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CCC(C)(C)C2)n1 ZINC000192606082 365779980 /nfs/dbraw/zinc/77/99/80/365779980.db2.gz ZRBPUNMIMMAXOM-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC(C)(C)C2)n1 ZINC000192606082 365779984 /nfs/dbraw/zinc/77/99/84/365779984.db2.gz ZRBPUNMIMMAXOM-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618193916 343603386 /nfs/dbraw/zinc/60/33/86/343603386.db2.gz JDXGRBDLNUQWCS-GFCCVEGCSA-N 0 1 240.391 2.079 20 0 BEADMN CN(CC1CN(C)C1)C(=O)CCCC(C)(C)C ZINC000618194041 343604325 /nfs/dbraw/zinc/60/43/25/343604325.db2.gz NMFZQWMGGUTUSG-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CCc1nc(CNC[C@@H]2CCCCO2)cs1 ZINC000049832324 343606221 /nfs/dbraw/zinc/60/62/21/343606221.db2.gz PHMUVAUIHMUBGH-NSHDSACASA-N 0 1 240.372 2.364 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)CC(=O)[O-])cc1 ZINC000035752162 178555982 /nfs/dbraw/zinc/55/59/82/178555982.db2.gz UPKQPRLFQQCMRW-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN CC/C=C/CC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696892 343635046 /nfs/dbraw/zinc/63/50/46/343635046.db2.gz RLMJESOKQFSRSV-ONEGZZNKSA-N 0 1 223.316 2.424 20 0 BEADMN CNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000052795429 343639284 /nfs/dbraw/zinc/63/92/84/343639284.db2.gz WEYYIJNYGRQFAP-LBPRGKRZSA-N 0 1 246.354 2.033 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000570287004 323054689 /nfs/dbraw/zinc/05/46/89/323054689.db2.gz RWLBTIPTJWOFQE-SNVBAGLBSA-N 0 1 227.329 2.462 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(CC)(CC)C1 ZINC000087256658 343642392 /nfs/dbraw/zinc/64/23/92/343642392.db2.gz SYWNWAUPSBVWBM-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H](C[N@@H+](C)CC1(C(=O)[O-])CC1)C(C)(C)C ZINC000634697575 343644483 /nfs/dbraw/zinc/64/44/83/343644483.db2.gz MLQLWEPRGZVABA-SNVBAGLBSA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@@H](COC)NCc1nc(C)c(C)s1 ZINC000087376086 343646847 /nfs/dbraw/zinc/64/68/47/343646847.db2.gz QSFUPRLGDURFEB-JTQLQIEISA-N 0 1 228.361 2.275 20 0 BEADMN CC(C)=CC[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000379777324 343624298 /nfs/dbraw/zinc/62/42/98/343624298.db2.gz DOBIJUJAUWJQFN-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN N#Cc1csc(CNC2(C3CC3)CC2)n1 ZINC000380053310 343673482 /nfs/dbraw/zinc/67/34/82/343673482.db2.gz KFGVGBFWHKNGBY-UHFFFAOYSA-N 0 1 219.313 2.047 20 0 BEADMN CCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000047959536 343674853 /nfs/dbraw/zinc/67/48/53/343674853.db2.gz JWULERIBGGBWIX-GFCCVEGCSA-N 0 1 234.343 2.124 20 0 BEADMN CO[C@H]1C[C@H](N[C@H](C)c2nc(C)cs2)C1 ZINC000624300873 343678846 /nfs/dbraw/zinc/67/88/46/343678846.db2.gz UCCZCYLOARILBV-OPRDCNLKSA-N 0 1 226.345 2.280 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(C(=O)[O-])cc1 ZINC000088026063 343694238 /nfs/dbraw/zinc/69/42/38/343694238.db2.gz HVRCULFZJLVASS-UHFFFAOYSA-N 0 1 225.263 2.176 20 0 BEADMN CCCN(CC(=O)OCC)CC1CCC1 ZINC000088135577 343707490 /nfs/dbraw/zinc/70/74/90/343707490.db2.gz HBQNPGWXZPBZJU-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN Cc1ncc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000628290665 346962179 /nfs/dbraw/zinc/96/21/79/346962179.db2.gz POOFUUMQQKRKFC-MNOVXSKESA-N 0 1 242.269 2.460 20 0 BEADMN COc1cncc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000625431979 343733317 /nfs/dbraw/zinc/73/33/17/343733317.db2.gz LKCQQPSTXZSNFY-LBPRGKRZSA-N 0 1 247.342 2.107 20 0 BEADMN c1nc2c([nH]1)CN([C@@H]1CCc3ccccc31)CC2 ZINC000625434594 343735994 /nfs/dbraw/zinc/73/59/94/343735994.db2.gz BZFVZHNVBXJVCJ-OAHLLOKOSA-N 0 1 239.322 2.455 20 0 BEADMN CC[C@@H](N[C@H]1CCOC1)c1nc(C)cs1 ZINC000088715651 343729692 /nfs/dbraw/zinc/72/96/92/343729692.db2.gz LQRVHWPHYFSFOW-VHSXEESVSA-N 0 1 226.345 2.281 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000003750180 343771291 /nfs/dbraw/zinc/77/12/91/343771291.db2.gz KYXLVBPAMNHJBI-SNVBAGLBSA-N 0 1 225.313 2.045 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000167737021 537810458 /nfs/dbraw/zinc/81/04/58/537810458.db2.gz GISMTTYHXQVKRH-NXEZZACHSA-N 0 1 226.320 2.311 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1CCCCC1 ZINC000584122121 343762516 /nfs/dbraw/zinc/76/25/16/343762516.db2.gz IUCWJRZGHLRAMR-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H]1CC2(CCC2)CN1C(=O)CCc1cnc[nH]1 ZINC000336441270 537810847 /nfs/dbraw/zinc/81/08/47/537810847.db2.gz OZAOCIDTUBIWJM-NSHDSACASA-N 0 1 247.342 2.133 20 0 BEADMN CCN1CCC[C@H]1CNc1nccnc1Cl ZINC000043537628 343780828 /nfs/dbraw/zinc/78/08/28/343780828.db2.gz JTPFGIJRRFWWRS-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN CC[C@H](N[C@H](C)c1ncc[nH]1)[C@H]1CCCO1 ZINC000336680561 537822107 /nfs/dbraw/zinc/82/21/07/537822107.db2.gz CTKKHVUGUDUDKO-OUAUKWLOSA-N 0 1 223.320 2.018 20 0 BEADMN CC(C)OCCNCc1ccncc1Cl ZINC000159033087 346984795 /nfs/dbraw/zinc/98/47/95/346984795.db2.gz UUALQHODXPVSEC-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN CC1(C)COC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000313078721 343854480 /nfs/dbraw/zinc/85/44/80/343854480.db2.gz LGVHNKHYDFBOCN-GFCCVEGCSA-N 0 1 245.326 2.078 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000381036875 343829260 /nfs/dbraw/zinc/82/92/60/343829260.db2.gz CVNJJFAFGVMULY-CYBMUJFWSA-N 0 1 223.316 2.283 20 0 BEADMN CCC[C@H](C)CCCN1CCO[C@H]([C@@H](C)O)C1 ZINC000625471348 343874816 /nfs/dbraw/zinc/87/48/16/343874816.db2.gz JOTQPNGSHGBTDO-MJBXVCDLSA-N 0 1 243.391 2.284 20 0 BEADMN C=C/C(C)=C\CC(=O)N1CCN(CC)C[C@H]1C ZINC000672189535 488243780 /nfs/dbraw/zinc/24/37/80/488243780.db2.gz VVGHCJDWPARKEQ-FFXRNRBCSA-N 0 1 236.359 2.061 20 0 BEADMN COc1cncc(C[N@H+]2CCC23CCCC3)n1 ZINC000625509644 343913544 /nfs/dbraw/zinc/91/35/44/343913544.db2.gz ARUONCSXEDSHMY-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN COc1cncc(CN2CCC23CCCC3)n1 ZINC000625509644 343913546 /nfs/dbraw/zinc/91/35/46/343913546.db2.gz ARUONCSXEDSHMY-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CC(C)(C)CNC(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000625518516 343915428 /nfs/dbraw/zinc/91/54/28/343915428.db2.gz CGECAFZIOAOWQZ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCNCc1cn(C[C@H](CC)CC(F)F)nn1 ZINC000641182690 362259226 /nfs/dbraw/zinc/25/92/26/362259226.db2.gz RRHKCKHYTLZJII-SECBINFHSA-N 0 1 246.305 2.069 20 0 BEADMN CC1(C(=O)N2CCc3nc[nH]c3C2)CCCCC1 ZINC000627371163 347017138 /nfs/dbraw/zinc/01/71/38/347017138.db2.gz WYLULWNAYQNHJH-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2C)[nH]c1C ZINC000628119555 343971337 /nfs/dbraw/zinc/97/13/37/343971337.db2.gz ZLOJWCUHBXWIND-VIFPVBQESA-N 0 1 207.321 2.401 20 0 BEADMN CCN(C)CC(=O)Nc1cccc(C)c1C ZINC000070981129 343958407 /nfs/dbraw/zinc/95/84/07/343958407.db2.gz GGQBLTKTYGLLFO-UHFFFAOYSA-N 0 1 220.316 2.194 20 0 BEADMN CN(Cc1cc(C2CC2)no1)CC1(C)COC1 ZINC000625790883 344074403 /nfs/dbraw/zinc/07/44/03/344074403.db2.gz CDKZFCSIKGJYFB-UHFFFAOYSA-N 0 1 236.315 2.020 20 0 BEADMN CCc1noc(C)c1CN(C)CC1(C)COC1 ZINC000625790724 344074690 /nfs/dbraw/zinc/07/46/90/344074690.db2.gz OURYEEGZENIQNE-UHFFFAOYSA-N 0 1 238.331 2.014 20 0 BEADMN CC(C)(C)[C@H](O)CN1Cc2ccc(O)cc2C1 ZINC000625727777 344058270 /nfs/dbraw/zinc/05/82/70/344058270.db2.gz LDQGLUMTUPLYBZ-CYBMUJFWSA-N 0 1 235.327 2.115 20 0 BEADMN CO[C@@H](CN1Cc2ccc(O)cc2C1)C1CC1 ZINC000625728544 344059745 /nfs/dbraw/zinc/05/97/45/344059745.db2.gz XPONRMWHPBLNBS-AWEZNQCLSA-N 0 1 233.311 2.133 20 0 BEADMN C[C@H]1C[C@@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728406 344059925 /nfs/dbraw/zinc/05/99/25/344059925.db2.gz OBVQCXRSKYHRKU-GXSJLCMTSA-N 0 1 203.285 2.364 20 0 BEADMN CC(C)(C)CCNC(=O)CN(C1CC1)C1CC1 ZINC000625838733 344092108 /nfs/dbraw/zinc/09/21/08/344092108.db2.gz IUVFTWIFRANJIX-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1nocc1CN(C1CC1)C1CC1 ZINC000625841352 344094939 /nfs/dbraw/zinc/09/49/39/344094939.db2.gz KVWLWKJKWDEOKJ-UHFFFAOYSA-N 0 1 206.289 2.364 20 0 BEADMN C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000570688699 323067177 /nfs/dbraw/zinc/06/71/77/323067177.db2.gz IKERUXBUEKKSND-MWLCHTKSSA-N 0 1 239.340 2.228 20 0 BEADMN CC1(C)CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000081351410 344141004 /nfs/dbraw/zinc/14/10/04/344141004.db2.gz JOINXFKIJFIRPD-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CCSCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000129858462 344216705 /nfs/dbraw/zinc/21/67/05/344216705.db2.gz CPBSPPDEXNHWTE-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN CC[C@H](O)CCCN[C@@H](C)c1nccs1 ZINC000130172817 344218275 /nfs/dbraw/zinc/21/82/75/344218275.db2.gz VWCYGWLPJSZGJS-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@H](C)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758407 344226311 /nfs/dbraw/zinc/22/63/11/344226311.db2.gz OBEIJZMFJLZLPH-IUCAKERBSA-N 0 1 207.264 2.141 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000098103732 344282326 /nfs/dbraw/zinc/28/23/26/344282326.db2.gz CYFFLWBLHWLBQJ-UWVGGRQHSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1nc([C@@H](C)S[C@@H]2COC(C)(C)C2)n[nH]1 ZINC000600568432 344282765 /nfs/dbraw/zinc/28/27/65/344282765.db2.gz BWUUDPLTUVFFPD-APPZFPTMSA-N 0 1 241.360 2.475 20 0 BEADMN CCc1nc(CS[C@@H]2COC(C)(C)C2)n[nH]1 ZINC000600575229 344289950 /nfs/dbraw/zinc/28/99/50/344289950.db2.gz ZVJQFSCGGVEWOE-QMMMGPOBSA-N 0 1 241.360 2.168 20 0 BEADMN CC[N@@H+](Cc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000088795659 344241790 /nfs/dbraw/zinc/24/17/90/344241790.db2.gz JARMVALRUDJOJB-CYBMUJFWSA-N 0 1 233.311 2.372 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H](C(=O)[O-])C2CC2)c1 ZINC000088795799 344241968 /nfs/dbraw/zinc/24/19/68/344241968.db2.gz KWSNUBVTCBFXKF-ZDUSSCGKSA-N 0 1 233.311 2.290 20 0 BEADMN CS[C@H]1CCC[C@@H](NCc2csnn2)C1 ZINC000133188439 344314736 /nfs/dbraw/zinc/31/47/36/344314736.db2.gz GFIYXWKWQIQAMP-SCZZXKLOSA-N 0 1 243.401 2.302 20 0 BEADMN Cn1ccnc1CN1CC[C@@H](c2ccco2)C1 ZINC000600691644 344359275 /nfs/dbraw/zinc/35/92/75/344359275.db2.gz OFCSYLSGPDXHLV-LLVKDONJSA-N 0 1 231.299 2.003 20 0 BEADMN C[C@@H]1CCC[C@@H](CNCc2csnn2)C1 ZINC000132603594 344305494 /nfs/dbraw/zinc/30/54/94/344305494.db2.gz QJFTUEBMHOQWMP-NXEZZACHSA-N 0 1 225.361 2.454 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000600950027 344401238 /nfs/dbraw/zinc/40/12/38/344401238.db2.gz HBCJCJHNMNSQSO-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCN(C)CC(=O)Nc1cccc(F)c1 ZINC000048614936 344402676 /nfs/dbraw/zinc/40/26/76/344402676.db2.gz RWNDUPITXNUDPT-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN CC1(C)CCC[C@H](CNCC(F)(F)CN)C1 ZINC000584279334 344405636 /nfs/dbraw/zinc/40/56/36/344405636.db2.gz SUBPYVLZDHKSAB-JTQLQIEISA-N 0 1 234.334 2.386 20 0 BEADMN CCN1CCCC[C@H]1C(=O)Nc1ccnc(C)c1 ZINC000104827810 344461641 /nfs/dbraw/zinc/46/16/41/344461641.db2.gz QCCKCKKBPKZACE-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN Cc1cc(CN[C@H](C)c2csc(C)n2)n[nH]1 ZINC000381314904 344494898 /nfs/dbraw/zinc/49/48/98/344494898.db2.gz RNSDFSHUYHGTDT-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc(CN[C@@H](C)c2csc(C)n2)n[nH]1 ZINC000381314905 344495126 /nfs/dbraw/zinc/49/51/26/344495126.db2.gz RNSDFSHUYHGTDT-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN CCC1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000037822529 344593046 /nfs/dbraw/zinc/59/30/46/344593046.db2.gz OXGQGMMPTGSIGE-AWEZNQCLSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1nc([C@H](C)Sc2ccc(C)nn2)n[nH]1 ZINC000641458611 362434480 /nfs/dbraw/zinc/43/44/80/362434480.db2.gz FAYTVKFFCPNDCD-ZETCQYMHSA-N 0 1 235.316 2.065 20 0 BEADMN CCCC[C@H](CC)N[C@@H](C)c1ncn(C)n1 ZINC000309435346 347061494 /nfs/dbraw/zinc/06/14/94/347061494.db2.gz HCXKVKQAOAXWOH-QWRGUYRKSA-N 0 1 224.352 2.435 20 0 BEADMN CCCC[C@@H](CC)C(=O)Nc1nnc(C)[nH]1 ZINC000112703203 344650111 /nfs/dbraw/zinc/65/01/11/344650111.db2.gz IIQFSXWUCNTDPM-SECBINFHSA-N 0 1 224.308 2.268 20 0 BEADMN FCC[C@H]1CN(CCc2ccccc2)CCO1 ZINC000626000826 344661650 /nfs/dbraw/zinc/66/16/50/344661650.db2.gz ZYPPFKSVQPZLIZ-AWEZNQCLSA-N 0 1 237.318 2.290 20 0 BEADMN FCC[C@@H]1CN(CCc2ccccc2)CCO1 ZINC000626000827 344661716 /nfs/dbraw/zinc/66/17/16/344661716.db2.gz ZYPPFKSVQPZLIZ-CQSZACIVSA-N 0 1 237.318 2.290 20 0 BEADMN COc1cccc2c1CN(CC1(C)COC1)C2 ZINC000626021879 344677449 /nfs/dbraw/zinc/67/74/49/344677449.db2.gz UHMKVFSXGFCGFA-UHFFFAOYSA-N 0 1 233.311 2.047 20 0 BEADMN CCc1noc([C@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000153081649 344742588 /nfs/dbraw/zinc/74/25/88/344742588.db2.gz ZBGPWTGVAGFWRU-GARJFASQSA-N 0 1 235.331 2.425 20 0 BEADMN CCc1noc([C@H](C)N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000153081874 344743024 /nfs/dbraw/zinc/74/30/24/344743024.db2.gz ZBGPWTGVAGFWRU-HBNTYKKESA-N 0 1 235.331 2.425 20 0 BEADMN COC(=O)c1ccc(CN2CC(C(C)C)C2)o1 ZINC000619431148 344683108 /nfs/dbraw/zinc/68/31/08/344683108.db2.gz NRNBNAGWAYVDAA-UHFFFAOYSA-N 0 1 237.299 2.154 20 0 BEADMN CCCN(CCC(C)(C)C)CC(=O)OC ZINC000050066149 344718469 /nfs/dbraw/zinc/71/84/69/344718469.db2.gz FHOKWVRMACYNOP-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1noc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000074994347 344767207 /nfs/dbraw/zinc/76/72/07/344767207.db2.gz SQUZBTCCVGWXBQ-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN CC[C@@H](O)CN(C)Cc1ccc(F)cc1F ZINC000075623941 344781089 /nfs/dbraw/zinc/78/10/89/344781089.db2.gz OGWROYRUAKPSNJ-LLVKDONJSA-N 0 1 229.270 2.168 20 0 BEADMN C[C@H](NCCOC[C@@H]1CCCO1)c1ccco1 ZINC000053557297 323077075 /nfs/dbraw/zinc/07/70/75/323077075.db2.gz BTFQKSZEPHLADQ-RYUDHWBXSA-N 0 1 239.315 2.126 20 0 BEADMN CCc1cnc(CN[C@@]2(C)CCCOC2)s1 ZINC000309496651 347077645 /nfs/dbraw/zinc/07/76/45/347077645.db2.gz YPNYNWIHZPXJPU-LBPRGKRZSA-N 0 1 240.372 2.364 20 0 BEADMN CCC1(O)CCN(Cc2cnc(C)s2)CC1 ZINC000075859403 344786058 /nfs/dbraw/zinc/78/60/58/344786058.db2.gz DKVGHOOBMUDPDQ-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN C[C@@H]1CN(Cc2ccccn2)C[C@H](C)S1 ZINC000075891761 344787045 /nfs/dbraw/zinc/78/70/45/344787045.db2.gz OIIMENANNOWAAH-PHIMTYICSA-N 0 1 222.357 2.407 20 0 BEADMN C[C@H]1CN(Cc2ccccn2)C[C@H](C)S1 ZINC000075891762 344787319 /nfs/dbraw/zinc/78/73/19/344787319.db2.gz OIIMENANNOWAAH-QWRGUYRKSA-N 0 1 222.357 2.407 20 0 BEADMN CCc1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000075768463 344791090 /nfs/dbraw/zinc/79/10/90/344791090.db2.gz QJQDLYRPXXPZGI-PHIMTYICSA-N 0 1 220.316 2.325 20 0 BEADMN Cc1[nH]nc(-c2nc([C@H](N)CC(C)C)no2)c1C ZINC000075760465 344791363 /nfs/dbraw/zinc/79/13/63/344791363.db2.gz QUYNBAUCIPEVTC-SECBINFHSA-N 0 1 249.318 2.122 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@H](C)[C@H](C)C2)o1 ZINC000076112775 344796351 /nfs/dbraw/zinc/79/63/51/344796351.db2.gz PJLHVQNIBKMZAW-KXUCPTDWSA-N 0 1 223.320 2.281 20 0 BEADMN CCCN1CCOC[C@H]1c1ccccc1 ZINC000076118903 344797314 /nfs/dbraw/zinc/79/73/14/344797314.db2.gz NKQFPFXDSYEBRN-ZDUSSCGKSA-N 0 1 205.301 2.470 20 0 BEADMN CCOCCCN1CCOC[C@@H]1c1ccccc1 ZINC000076119193 344797694 /nfs/dbraw/zinc/79/76/94/344797694.db2.gz YHZGKFVVEPDTMH-OAHLLOKOSA-N 0 1 249.354 2.487 20 0 BEADMN Cc1c[nH]c(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000628140695 344802970 /nfs/dbraw/zinc/80/29/70/344802970.db2.gz UXUXWWMDIRBCBO-JTQLQIEISA-N 0 1 219.332 2.481 20 0 BEADMN CCOC(=O)CN(C[C@@H](C)CC)C1CC1 ZINC000050428234 344820891 /nfs/dbraw/zinc/82/08/91/344820891.db2.gz XPSZMZBCFZGJTP-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CN(CC(=O)NCCC1CCCCC1)C1CC1 ZINC000076940961 344811097 /nfs/dbraw/zinc/81/10/97/344811097.db2.gz GPYXWBJAKHOHNG-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CO[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628143188 344812573 /nfs/dbraw/zinc/81/25/73/344812573.db2.gz DUPOZRWELMWBOL-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN CCC(C)(C)[C@@H]1CCCN1Cc1nncn1C ZINC000156906143 323077763 /nfs/dbraw/zinc/07/77/63/323077763.db2.gz YEIBWWFYFVBMOH-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN CC(C)CNC(=O)CNC1(c2ccccc2)CC1 ZINC000077378401 344817958 /nfs/dbraw/zinc/81/79/58/344817958.db2.gz SNBSCZSHCXITOL-UHFFFAOYSA-N 0 1 246.354 2.038 20 0 BEADMN OCC[C@@H](NCc1ccccn1)c1ccccc1 ZINC000077468255 344819755 /nfs/dbraw/zinc/81/97/55/344819755.db2.gz WCPQWXJDIBHCKH-OAHLLOKOSA-N 0 1 242.322 2.295 20 0 BEADMN CCNC(=O)CN(C)C[C@H](C)c1ccc(C)cc1 ZINC000628149171 344835435 /nfs/dbraw/zinc/83/54/35/344835435.db2.gz OXRWLOZZWLPOLG-ZDUSSCGKSA-N 0 1 248.370 2.166 20 0 BEADMN Fc1ccc(CNCc2cn[nH]c2)cc1Cl ZINC000082367591 344840687 /nfs/dbraw/zinc/84/06/87/344840687.db2.gz IFYCUYJPAYLYBL-UHFFFAOYSA-N 0 1 239.681 2.492 20 0 BEADMN CCOCCN(CC)Cc1cnc(C2CC2)o1 ZINC000628156438 344848534 /nfs/dbraw/zinc/84/85/34/344848534.db2.gz PHDWCSNVUBSCQA-UHFFFAOYSA-N 0 1 238.331 2.410 20 0 BEADMN COCCCN(C)Cc1cnc(C2CC2)o1 ZINC000628156406 344848573 /nfs/dbraw/zinc/84/85/73/344848573.db2.gz NSHUBEDDZCBUAR-UHFFFAOYSA-N 0 1 224.304 2.020 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000628160424 344856846 /nfs/dbraw/zinc/85/68/46/344856846.db2.gz UPCXZJISZZLJIM-MWLCHTKSSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnnn1C ZINC000564498181 344870895 /nfs/dbraw/zinc/87/08/95/344870895.db2.gz PCXNBQRVNPMFEN-AAEUAGOBSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1CN(CCCc2ccccc2)CCO1 ZINC000042569519 344877328 /nfs/dbraw/zinc/87/73/28/344877328.db2.gz YRVIQBPKFXJOOB-CYBMUJFWSA-N 0 1 219.328 2.340 20 0 BEADMN CC(C)n1ccnc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153455608 344881560 /nfs/dbraw/zinc/88/15/60/344881560.db2.gz LKMQGBMFQQUTBK-CQSZACIVSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@@]2(CCOC2)C1 ZINC000153455608 344881564 /nfs/dbraw/zinc/88/15/64/344881564.db2.gz LKMQGBMFQQUTBK-CQSZACIVSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000235323840 344886855 /nfs/dbraw/zinc/88/68/55/344886855.db2.gz PUESWJSTTHJHNO-YPMHNXCESA-N 0 1 233.311 2.372 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](c3ccco3)C2)n1 ZINC000628170754 344888154 /nfs/dbraw/zinc/88/81/54/344888154.db2.gz KBMRHGQIZNHACB-NSHDSACASA-N 0 1 231.299 2.301 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@H](C)O[C@H]2C)s1 ZINC000385112918 344898779 /nfs/dbraw/zinc/89/87/79/344898779.db2.gz JGWQAFPAYMJWOL-UJNFCWOMSA-N 0 1 226.345 2.107 20 0 BEADMN CCC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000600963189 344901855 /nfs/dbraw/zinc/90/18/55/344901855.db2.gz QOUFETGIZFGKTN-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000628178704 344912563 /nfs/dbraw/zinc/91/25/63/344912563.db2.gz YOCUPJKETLGAGJ-ZJUUUORDSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1nc(CN2C[C@@H](C)[C@H](C)C2)[nH]c1C ZINC000628178883 344913488 /nfs/dbraw/zinc/91/34/88/344913488.db2.gz GXZFWRCHBDXGBL-RKDXNWHRSA-N 0 1 207.321 2.114 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)[C@H]2C)o1 ZINC000628179180 344914466 /nfs/dbraw/zinc/91/44/66/344914466.db2.gz QGIPBUMZAPEDHB-BDAKNGLRSA-N 0 1 226.345 2.309 20 0 BEADMN CCN1CCC[C@@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628199056 344965609 /nfs/dbraw/zinc/96/56/09/344965609.db2.gz ZSNJFPVQFXBXHV-GFCCVEGCSA-N 0 1 249.358 2.126 20 0 BEADMN C[C@@H](CNc1cc[nH+]c2ccsc21)C(=O)[O-] ZINC000583443254 344977065 /nfs/dbraw/zinc/97/70/65/344977065.db2.gz FMTVSRFYBXBAHT-ZETCQYMHSA-N 0 1 236.296 2.429 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H](C(C)C)C2)n1 ZINC000628189751 344942319 /nfs/dbraw/zinc/94/23/19/344942319.db2.gz MGIWNLYTONYHHP-NSHDSACASA-N 0 1 207.321 2.196 20 0 BEADMN CCc1nc(CN(C)C[C@@H]2CCOC2)cs1 ZINC000122219663 344951176 /nfs/dbraw/zinc/95/11/76/344951176.db2.gz AJRROUZQUNPKFY-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN CCC(CC)CN(C)[C@@H](C)CS(=O)(=O)CC ZINC000153932107 345000899 /nfs/dbraw/zinc/00/08/99/345000899.db2.gz FUVXTOVNLFZSSU-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN CSCCN(C)Cc1ccc(C)nc1 ZINC000153923511 345002878 /nfs/dbraw/zinc/00/28/78/345002878.db2.gz AEERLQGCVXCLSP-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)N[C@H]3CC3(C)C)c2C1 ZINC001638954600 1172057557 /nfs/dbraw/zinc/05/75/57/1172057557.db2.gz SVQXUHRATVLWKZ-KWQFWETISA-N 0 1 247.342 2.063 20 0 BEADMN COc1ccc([C@H]2CC[N@@H+](CCC(C)=O)C2)cc1 ZINC000155336656 345077847 /nfs/dbraw/zinc/07/78/47/345077847.db2.gz TXNOIIAMWDYOSR-AWEZNQCLSA-N 0 1 247.338 2.464 20 0 BEADMN CCCC[C@@H](CC)CC(=O)N1CCN[C@@H](C)C1 ZINC000155093880 345067409 /nfs/dbraw/zinc/06/74/09/345067409.db2.gz RJNCTUSZRXWJGZ-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000050925894 345097497 /nfs/dbraw/zinc/09/74/97/345097497.db2.gz CYQKAODRWQWGKE-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CCC[C@@H](CNCc1oc(C)nc1C)OC ZINC000385986891 345103383 /nfs/dbraw/zinc/10/33/83/345103383.db2.gz ISMIWLRAPOVTMH-NSHDSACASA-N 0 1 226.320 2.196 20 0 BEADMN CC(C)(CNCc1ccon1)c1ccccn1 ZINC000634982617 345163270 /nfs/dbraw/zinc/16/32/70/345163270.db2.gz PWLCAXIZIAVLEF-UHFFFAOYSA-N 0 1 231.299 2.137 20 0 BEADMN C[C@H](Cc1cccc(O)c1)NCc1ccon1 ZINC000634959371 345133085 /nfs/dbraw/zinc/13/30/85/345133085.db2.gz ORUCUYKQENKVIF-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN CC(C)[C@H]1OCCC[C@H]1CNCc1ccon1 ZINC000634967284 345142878 /nfs/dbraw/zinc/14/28/78/345142878.db2.gz KKDMKVPDNKZMCJ-WCQYABFASA-N 0 1 238.331 2.215 20 0 BEADMN CC[C@@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156382939 345151901 /nfs/dbraw/zinc/15/19/01/345151901.db2.gz GPNDFLYAYSGDTI-SECBINFHSA-N 0 1 244.298 2.000 20 0 BEADMN c1cc(CNC[C@@H]2CCCCS2)no1 ZINC000634976110 345156129 /nfs/dbraw/zinc/15/61/29/345156129.db2.gz NZOOLTIYTQAENJ-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)C(=O)c1ccn[nH]1 ZINC000127870546 345224796 /nfs/dbraw/zinc/22/47/96/345224796.db2.gz CNONERIXYYXCJB-LBPRGKRZSA-N 0 1 244.298 2.028 20 0 BEADMN C[C@H](C(=O)Nc1cccc2ncccc21)N(C)C ZINC000635099689 345247184 /nfs/dbraw/zinc/24/71/84/345247184.db2.gz RSYCSPURQNIHJE-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000635017794 345216526 /nfs/dbraw/zinc/21/65/26/345216526.db2.gz JSAIEAWTVAJQKT-KXUCPTDWSA-N 0 1 247.285 2.359 20 0 BEADMN CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H](C)C(=O)[O-] ZINC000635018928 345222224 /nfs/dbraw/zinc/22/22/24/345222224.db2.gz RNUXYTAKUVFZKS-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C2CCC2)[nH]1 ZINC000158259810 345314185 /nfs/dbraw/zinc/31/41/85/345314185.db2.gz QGIAPNZNBDSPLM-LLVKDONJSA-N 0 1 234.347 2.132 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@H](C)OC)s1 ZINC000168409414 345314714 /nfs/dbraw/zinc/31/47/14/345314714.db2.gz RTOYUKRVHJTCLN-BDAKNGLRSA-N 0 1 228.361 2.219 20 0 BEADMN CCc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000635184665 345268607 /nfs/dbraw/zinc/26/86/07/345268607.db2.gz MRDBNODKYLOLJA-SNVBAGLBSA-N 0 1 220.316 2.138 20 0 BEADMN C[C@H](C(=O)N(C)C1CCCCCC1)N(C)C ZINC000635201499 345270016 /nfs/dbraw/zinc/27/00/16/345270016.db2.gz AQLDXJUOOJRVBK-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)c1ccc(F)cc1 ZINC000635201994 345270090 /nfs/dbraw/zinc/27/00/90/345270090.db2.gz GGPWTEPVRDDIDR-SNVBAGLBSA-N 0 1 238.306 2.129 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635200935 345271615 /nfs/dbraw/zinc/27/16/15/345271615.db2.gz ZEYWCBOQYQYHFD-VXGBXAGGSA-N 0 1 228.380 2.268 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](C)N(C)C ZINC000635233458 345281335 /nfs/dbraw/zinc/28/13/35/345281335.db2.gz RGEDAYLCYBNRGC-CHWSQXEVSA-N 0 1 248.370 2.465 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635267858 345291234 /nfs/dbraw/zinc/29/12/34/345291234.db2.gz TZIQGSLMAXFTRB-QJPTWQEYSA-N 0 1 247.342 2.162 20 0 BEADMN CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000168538225 345343199 /nfs/dbraw/zinc/34/31/99/345343199.db2.gz JGDXMJDYYOVLMN-UONOGXRCSA-N 0 1 234.343 2.380 20 0 BEADMN CC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635413666 345355302 /nfs/dbraw/zinc/35/53/02/345355302.db2.gz ACJFIKWEQICCEM-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(C)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635413666 345355304 /nfs/dbraw/zinc/35/53/04/345355304.db2.gz ACJFIKWEQICCEM-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCCN(C)C(=O)CN(C)CCc1ccccc1 ZINC000635449118 345376115 /nfs/dbraw/zinc/37/61/15/345376115.db2.gz QWFSKMITUFEYCE-UHFFFAOYSA-N 0 1 248.370 2.029 20 0 BEADMN CC[C@@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000158824796 345380717 /nfs/dbraw/zinc/38/07/17/345380717.db2.gz YUKIONDFIIQDPN-MRVPVSSYSA-N 0 1 223.320 2.370 20 0 BEADMN C[C@H](CCNC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635464131 345381400 /nfs/dbraw/zinc/38/14/00/345381400.db2.gz DHIXTHKBIJLSBT-CHWSQXEVSA-N 0 1 248.370 2.247 20 0 BEADMN C[C@H](c1nncn1C)N1CCCC2(CC2)CC1 ZINC000626115228 345327977 /nfs/dbraw/zinc/32/79/77/345327977.db2.gz LLCBSCUGEUMICK-LLVKDONJSA-N 0 1 234.347 2.142 20 0 BEADMN Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)N(C)C ZINC000635504274 345404364 /nfs/dbraw/zinc/40/43/64/345404364.db2.gz OLORWUPUTVCYJH-BXUZGUMPSA-N 0 1 246.354 2.049 20 0 BEADMN COC[C@H](N[C@H](C)c1nnc(C)s1)C(C)C ZINC000135008728 345428878 /nfs/dbraw/zinc/42/88/78/345428878.db2.gz JJTWEPYYQRLJQS-SCZZXKLOSA-N 0 1 243.376 2.168 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1O ZINC000159454212 345434919 /nfs/dbraw/zinc/43/49/19/345434919.db2.gz MHOFSBYFAXLEQN-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)CC1CCCC1 ZINC000562479403 345397550 /nfs/dbraw/zinc/39/75/50/345397550.db2.gz ZSQPOOJAJZBUQL-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN C[C@H](C(=O)NCCCCC(C)(C)C)N(C)C ZINC000635500654 345400767 /nfs/dbraw/zinc/40/07/67/345400767.db2.gz HWXNZPWKXVERIK-LLVKDONJSA-N 0 1 228.380 2.269 20 0 BEADMN CCC[C@H](C)CN(CC(=O)OCC)C1CC1 ZINC000051323746 345401261 /nfs/dbraw/zinc/40/12/61/345401261.db2.gz SOOCDTZLCQHQCI-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC1(C)CN(Cc2cccnc2)CCS1 ZINC000083415496 345505555 /nfs/dbraw/zinc/50/55/55/345505555.db2.gz JDRRYUUDSHNOFU-UHFFFAOYSA-N 0 1 222.357 2.409 20 0 BEADMN CC1(C)CN(Cc2ccno2)CCS1 ZINC000083417111 345505812 /nfs/dbraw/zinc/50/58/12/345505812.db2.gz MDPOHILPTKMJEE-UHFFFAOYSA-N 0 1 212.318 2.002 20 0 BEADMN C[C@H](C(=O)N1CCc2ccccc2[C@H]1C)N(C)C ZINC000635530957 345465156 /nfs/dbraw/zinc/46/51/56/345465156.db2.gz DDDFDHZXBGVFEK-VXGBXAGGSA-N 0 1 246.354 2.082 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC12CCC2 ZINC000081416343 345473380 /nfs/dbraw/zinc/47/33/80/345473380.db2.gz CFBUEZPTMXSVCR-UHFFFAOYSA-N 0 1 241.294 2.332 20 0 BEADMN CC(C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000081617015 345487319 /nfs/dbraw/zinc/48/73/19/345487319.db2.gz XOEUDEPWNWNJSR-UHFFFAOYSA-N 0 1 217.272 2.043 20 0 BEADMN Cc1csc(CN(C)C2CCOCC2)n1 ZINC000088602886 345543616 /nfs/dbraw/zinc/54/36/16/345543616.db2.gz ZPJBXSUSWUZYKZ-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN COC(=O)[C@@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000091985031 345613888 /nfs/dbraw/zinc/61/38/88/345613888.db2.gz MHMGYCFCLFPOEL-QMMMGPOBSA-N 0 1 245.706 2.174 20 0 BEADMN CCc1nn(C)c(Cl)c1CN1CC[C@H](C)C1 ZINC000092471214 345622147 /nfs/dbraw/zinc/62/21/47/345622147.db2.gz XTXUILLYGMOAPV-VIFPVBQESA-N 0 1 241.766 2.478 20 0 BEADMN Cc1cccnc1CN(C)C[C@@H]1CCCCO1 ZINC000093159732 345657623 /nfs/dbraw/zinc/65/76/23/345657623.db2.gz RMDOXTPLCFTZSY-ZDUSSCGKSA-N 0 1 234.343 2.391 20 0 BEADMN CCC[C@H](CC)S(=O)(=O)Nc1conc1C ZINC000641693864 362610215 /nfs/dbraw/zinc/61/02/15/362610215.db2.gz JASFDTBZTGNFOW-VIFPVBQESA-N 0 1 246.332 2.303 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccc(F)cn1 ZINC000092766400 345643361 /nfs/dbraw/zinc/64/33/61/345643361.db2.gz ZFLDQTLAXBUFEH-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN Cc1ccc([C@H](C)NCc2cnnn2C)c(C)c1 ZINC000135857090 178893983 /nfs/dbraw/zinc/89/39/83/178893983.db2.gz FXKQAAJHYOYXRC-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCN(CCC(F)(F)F)C(=O)c1cnc(C)[nH]1 ZINC000600981170 345647905 /nfs/dbraw/zinc/64/79/05/345647905.db2.gz ZJGXTJKPKDEFCA-UHFFFAOYSA-N 0 1 249.236 2.133 20 0 BEADMN CN1CCN(Cc2ccc(Cl)o2)C(C)(C)C1 ZINC000093457173 345671821 /nfs/dbraw/zinc/67/18/21/345671821.db2.gz PBFPLKMVHFXFCJ-UHFFFAOYSA-N 0 1 242.750 2.459 20 0 BEADMN CC1(C)CCN1Cc1cccc2c1OCO2 ZINC000093460276 345671930 /nfs/dbraw/zinc/67/19/30/345671930.db2.gz SXPLPMQUSYJXML-UHFFFAOYSA-N 0 1 219.284 2.400 20 0 BEADMN Clc1cccc(CSCc2nn[nH]n2)c1 ZINC000095144184 345682112 /nfs/dbraw/zinc/68/21/12/345682112.db2.gz HZXJSDGDNVXACG-UHFFFAOYSA-N 0 1 240.719 2.287 20 0 BEADMN c1nc(C2CC2)oc1CNC[C@H]1CCCCO1 ZINC000628209862 345808232 /nfs/dbraw/zinc/80/82/32/345808232.db2.gz WLIPIWLZMMSTFN-LLVKDONJSA-N 0 1 236.315 2.211 20 0 BEADMN CC(C)(C)OCCNCc1cnc(C2CC2)o1 ZINC000628210410 345811137 /nfs/dbraw/zinc/81/11/37/345811137.db2.gz VZRKZWJCNSAYKZ-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN CN(CCc1ccncc1)Cc1ccncc1F ZINC000449237681 201844610 /nfs/dbraw/zinc/84/46/10/201844610.db2.gz CMHYAVIZCYQECQ-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CCCN(CC(C)=O)Cc1ccccc1 ZINC000307616073 345852726 /nfs/dbraw/zinc/85/27/26/345852726.db2.gz PJEOKBZUXHWPOZ-UHFFFAOYSA-N 0 1 205.301 2.488 20 0 BEADMN O=C(Nc1ccsc1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635576728 345855379 /nfs/dbraw/zinc/85/53/79/345855379.db2.gz LSWBJEYBWNIALT-RKDXNWHRSA-N 0 1 233.296 2.213 20 0 BEADMN Cc1cccc([C@H](C)NC(=O)[C@@H](C)N(C)C)c1C ZINC000635572806 345826412 /nfs/dbraw/zinc/82/64/12/345826412.db2.gz PLTFEEQZGQJLKD-QWHCGFSZSA-N 0 1 248.370 2.431 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635619514 345892659 /nfs/dbraw/zinc/89/26/59/345892659.db2.gz KZNUHCWGKCOOOM-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)N(C)C ZINC000635614172 345893724 /nfs/dbraw/zinc/89/37/24/345893724.db2.gz VTNHSVXCUWFXDM-FDYHWXHSSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)(CCC(=O)[O-])Nc1[nH+]cnc2[nH]ccc21 ZINC000263431394 535011269 /nfs/dbraw/zinc/01/12/69/535011269.db2.gz SVXSQTSZMRSTLD-UHFFFAOYSA-N 0 1 248.286 2.013 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635632862 345911138 /nfs/dbraw/zinc/91/11/38/345911138.db2.gz VEZKOZDZOZMUMA-IRCOFANPSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H]1CC[C@H](C)N(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635633082 345911534 /nfs/dbraw/zinc/91/15/34/345911534.db2.gz XBYHOPXHSMYLAC-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN CCC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC000635646215 345922799 /nfs/dbraw/zinc/92/27/99/345922799.db2.gz UVLFHOPOFZRRIL-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@@H](CNCc1cnc(C2CC2)o1)C(C)C ZINC000628222330 345960708 /nfs/dbraw/zinc/96/07/08/345960708.db2.gz NFBMZMVBKKXPGE-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN CC(C)CC1(CNC(=O)[C@@H](C)N(C)C)CCC1 ZINC000635671144 345970430 /nfs/dbraw/zinc/97/04/30/345970430.db2.gz PUBZTVXVILPMOY-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C(F)F ZINC000684343082 488296486 /nfs/dbraw/zinc/29/64/86/488296486.db2.gz CXNFHQJZZMPHDQ-IUCAKERBSA-N 0 1 248.317 2.019 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635683506 345976512 /nfs/dbraw/zinc/97/65/12/345976512.db2.gz TYFRZIUXRYAUEI-JTNHKYCSSA-N 0 1 247.342 2.162 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1Cc2ccccc2C1 ZINC000601005179 345992931 /nfs/dbraw/zinc/99/29/31/345992931.db2.gz MZKBEVLREVSSTC-AWEZNQCLSA-N 0 1 244.338 2.013 20 0 BEADMN CC(C)C(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)C ZINC000635711092 346006081 /nfs/dbraw/zinc/00/60/81/346006081.db2.gz CYQBBEXLJFTFMJ-GHMZBOCLSA-N 0 1 249.358 2.310 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1C ZINC000635754090 346050256 /nfs/dbraw/zinc/05/02/56/346050256.db2.gz UNYSKLUFOAEETD-WRWGMCAJSA-N 0 1 247.342 2.018 20 0 BEADMN CC1(C)CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635758466 346052051 /nfs/dbraw/zinc/05/20/51/346052051.db2.gz RATVUHYYZBBFPG-HBNTYKKESA-N 0 1 247.342 2.208 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000635761845 346053959 /nfs/dbraw/zinc/05/39/59/346053959.db2.gz CSFOJPBFKNBZRK-OLZOCXBDSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@H](C(=O)N1CCCC12CCCCC2)N(C)C ZINC000635744591 346056012 /nfs/dbraw/zinc/05/60/12/346056012.db2.gz TXKOPQMCYFWVEX-GFCCVEGCSA-N 0 1 238.375 2.262 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635767142 346058026 /nfs/dbraw/zinc/05/80/26/346058026.db2.gz ZOKPHGYNZYQINY-UPJWGTAASA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635722860 346031464 /nfs/dbraw/zinc/03/14/64/346031464.db2.gz CNTOBQMKWVWSPG-HBNTYKKESA-N 0 1 235.331 2.064 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)[nH]1 ZINC001639097260 1172073146 /nfs/dbraw/zinc/07/31/46/1172073146.db2.gz IBZOODSUMCHIGS-GHMZBOCLSA-N 0 1 249.358 2.271 20 0 BEADMN C[C@H](C(=O)NCCC1=CCCCCC1)N(C)C ZINC000635804725 346071883 /nfs/dbraw/zinc/07/18/83/346071883.db2.gz VKVHPKJYRYMUGT-GFCCVEGCSA-N 0 1 238.375 2.333 20 0 BEADMN CC(C)=CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000191974716 346079113 /nfs/dbraw/zinc/07/91/13/346079113.db2.gz AHQZZRXTMPAMFR-ZDUSSCGKSA-N 0 1 210.365 2.225 20 0 BEADMN CC(C)C(C)(C)CNC(=O)[C@@H]1CCCCN1C ZINC000635836229 346081946 /nfs/dbraw/zinc/08/19/46/346081946.db2.gz SVPOZSRVZSWWNW-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CCC[C@@H](C)[C@H]1C)N(C)C ZINC000635885543 346102219 /nfs/dbraw/zinc/10/22/19/346102219.db2.gz BZNHJRHWAQWCMQ-FDYHWXHSSA-N 0 1 240.391 2.125 20 0 BEADMN O=C(NCC1=CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635990433 346141134 /nfs/dbraw/zinc/14/11/34/346141134.db2.gz SIFNIRHYJNJHJG-VXGBXAGGSA-N 0 1 245.326 2.130 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC(C)(C)C(C)(C)C ZINC000635958948 346133138 /nfs/dbraw/zinc/13/31/38/346133138.db2.gz JYTVOMMBQRLBPZ-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccccc1C(C)(C)NC(=O)[C@@H](C)N(C)C ZINC000635965073 346135701 /nfs/dbraw/zinc/13/57/01/346135701.db2.gz FOXRHPOZNWKHKE-GFCCVEGCSA-N 0 1 248.370 2.296 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC[C@H]1C(C)(C)C)N(C)C ZINC000636029090 346163628 /nfs/dbraw/zinc/16/36/28/346163628.db2.gz UYMOYGRNJHWANH-UTUOFQBUSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CN(C)C ZINC000171176858 346169349 /nfs/dbraw/zinc/16/93/49/346169349.db2.gz DAQVOGBWOOYJJL-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H]1[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC000636033469 346169539 /nfs/dbraw/zinc/16/95/39/346169539.db2.gz BQXAAQPCEFRWLO-RMPHRYRLSA-N 0 1 247.342 2.016 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635980179 346145705 /nfs/dbraw/zinc/14/57/05/346145705.db2.gz PGRAXCKBNKGYQU-OCCSQVGLSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[N@@H+](Cc1ccco1)CC1(C(=O)[O-])CC1 ZINC000563277339 323107716 /nfs/dbraw/zinc/10/77/16/323107716.db2.gz GDIKEAUACPMBQH-UHFFFAOYSA-N 0 1 237.299 2.355 20 0 BEADMN C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C)N(C)C ZINC000636017123 346156887 /nfs/dbraw/zinc/15/68/87/346156887.db2.gz YGLOSQBNGFDNMM-NQBHXWOUSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C)N(C)C ZINC000636017124 346157028 /nfs/dbraw/zinc/15/70/28/346157028.db2.gz YGLOSQBNGFDNMM-WZRBSPASSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636025633 346162325 /nfs/dbraw/zinc/16/23/25/346162325.db2.gz FIIJKDCMVHSOSY-HBNTYKKESA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)N(C)C ZINC000636029089 346163200 /nfs/dbraw/zinc/16/32/00/346163200.db2.gz UYMOYGRNJHWANH-IJLUTSLNSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1c[nH]c(CN2CCCC[C@H](C)C2)n1 ZINC000628240910 346203376 /nfs/dbraw/zinc/20/33/76/346203376.db2.gz ZPDQGHIVUKKSOV-JTQLQIEISA-N 0 1 207.321 2.340 20 0 BEADMN C[C@@H]1[C@H](C)N(Cc2cnc(C3CC3)o2)CCN1C ZINC000628240897 346203485 /nfs/dbraw/zinc/20/34/85/346203485.db2.gz ZIBBPKJODRYVPJ-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CCc1ccccc1COCCc1c[nH]nn1 ZINC000419059323 192098486 /nfs/dbraw/zinc/09/84/86/192098486.db2.gz XJYGZJNYEQTLIJ-UHFFFAOYSA-N 0 1 231.299 2.126 20 0 BEADMN C[C@@]1(NCc2cnc(C3CC3)o2)CCCOC1 ZINC000628234412 346187884 /nfs/dbraw/zinc/18/78/84/346187884.db2.gz ZDHHCLSMQIMSGH-CYBMUJFWSA-N 0 1 236.315 2.211 20 0 BEADMN c1[nH]nnc1CCOCCCCc1ccccc1 ZINC000419056162 192098847 /nfs/dbraw/zinc/09/88/47/192098847.db2.gz QCTPPIJMFYXMCE-UHFFFAOYSA-N 0 1 245.326 2.387 20 0 BEADMN Cc1ccc(CCCOCCc2c[nH]nn2)cc1 ZINC000419060631 192098894 /nfs/dbraw/zinc/09/88/94/192098894.db2.gz ZQDCBLAOTUZYBS-UHFFFAOYSA-N 0 1 245.326 2.305 20 0 BEADMN Cc1c[nH]c(CN2CC3(CCC3)C[C@H]2C)n1 ZINC000628252964 346227578 /nfs/dbraw/zinc/22/75/78/346227578.db2.gz PEFXATFPYADQQG-LLVKDONJSA-N 0 1 219.332 2.483 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)CC2)o1 ZINC000628252062 346224002 /nfs/dbraw/zinc/22/40/02/346224002.db2.gz HCDJXAHJVFMOBA-SECBINFHSA-N 0 1 226.345 2.310 20 0 BEADMN CCc1cccc(COCCc2c[nH]nn2)c1 ZINC000419058160 192098789 /nfs/dbraw/zinc/09/87/89/192098789.db2.gz VULRMYQIMZOEIY-UHFFFAOYSA-N 0 1 231.299 2.126 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000054041987 1172079119 /nfs/dbraw/zinc/07/91/19/1172079119.db2.gz MQTKRKPLSHDAQH-VXGBXAGGSA-N 0 1 247.342 2.370 20 0 BEADMN c1nc(C2CC2)oc1CN1CC([C@H]2CCOC2)C1 ZINC000628255253 346248542 /nfs/dbraw/zinc/24/85/42/346248542.db2.gz HKKRVFRUAMOXNQ-NSHDSACASA-N 0 1 248.326 2.020 20 0 BEADMN Cc1cccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c1 ZINC000155050670 179013623 /nfs/dbraw/zinc/01/36/23/179013623.db2.gz AGRNUNJLQYRWPR-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)CC2(C)C)c1 ZINC000270951725 179010361 /nfs/dbraw/zinc/01/03/61/179010361.db2.gz VLHHEVFEQQJKIS-UHFFFAOYSA-N 0 1 246.354 2.161 20 0 BEADMN CCC[C@@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636066388 346306245 /nfs/dbraw/zinc/30/62/45/346306245.db2.gz BWVWIKDXFWZHCT-SECBINFHSA-N 0 1 223.320 2.113 20 0 BEADMN C[C@]1(C[N@@H+]2CCN3CCC2CC3)CCCS1 ZINC000628278857 346288038 /nfs/dbraw/zinc/28/80/38/346288038.db2.gz KNGYEDRJXWJGEL-CYBMUJFWSA-N 0 1 240.416 2.052 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1cccc(C)c1 ZINC000636065037 346308076 /nfs/dbraw/zinc/30/80/76/346308076.db2.gz OVKGMUPWEIZDCH-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000636068485 346308686 /nfs/dbraw/zinc/30/86/86/346308686.db2.gz IAMGZPKLJOSJBC-GXTWGEPZSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000636067857 346309229 /nfs/dbraw/zinc/30/92/29/346309229.db2.gz YRWKLPRVWCJNQC-ITGUQSILSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC000636068913 346309705 /nfs/dbraw/zinc/30/97/05/346309705.db2.gz TVPGOZSNPHEOIW-ONGXEEELSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC000636069974 346311036 /nfs/dbraw/zinc/31/10/36/346311036.db2.gz CULWVEYEMITLGM-AWEZNQCLSA-N 0 1 247.342 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000636070102 346311069 /nfs/dbraw/zinc/31/10/69/346311069.db2.gz HEFUBTNXIFAENA-TUAOUCFPSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C(C)(C)C1CC1 ZINC000636069660 346311076 /nfs/dbraw/zinc/31/10/76/346311076.db2.gz XFCQKBNCDCSLLQ-UHFFFAOYSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000636070618 346311761 /nfs/dbraw/zinc/31/17/61/346311761.db2.gz HDSBNPHMLCTICQ-CYZMBNFOSA-N 0 1 247.342 2.113 20 0 BEADMN CCc1cnc(CNCc2[nH]ncc2C)s1 ZINC000289402061 346311772 /nfs/dbraw/zinc/31/17/72/346311772.db2.gz ALCQGTAQSNETKI-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1=CC[C@H](C)CC1 ZINC000636071042 346311922 /nfs/dbraw/zinc/31/19/22/346311922.db2.gz YVOLBECOWCOUGI-JTQLQIEISA-N 0 1 247.342 2.423 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000636070667 346312030 /nfs/dbraw/zinc/31/20/30/346312030.db2.gz RZQCOJXNGLTRDC-GMXVVIOVSA-N 0 1 247.342 2.113 20 0 BEADMN CCc1nc(CN[C@@H](C)CC(C)(C)O)cs1 ZINC000294994508 346336023 /nfs/dbraw/zinc/33/60/23/346336023.db2.gz HWWAWZDGNOHSFQ-VIFPVBQESA-N 0 1 242.388 2.345 20 0 BEADMN O=C(NCC1CC=CC1)[C@H]1CCN1C1CCCC1 ZINC000636254465 346370287 /nfs/dbraw/zinc/37/02/87/346370287.db2.gz YNFDDCXZSMVXHZ-CQSZACIVSA-N 0 1 248.370 2.086 20 0 BEADMN CC(C)c1ccc(CCNC(=O)CN(C)C)cc1 ZINC000589034142 346387150 /nfs/dbraw/zinc/38/71/50/346387150.db2.gz IOZMHCILRAHVNR-UHFFFAOYSA-N 0 1 248.370 2.030 20 0 BEADMN CCN(Cc1ccnn1C)Cc1ccccc1 ZINC000158691529 346399890 /nfs/dbraw/zinc/39/98/90/346399890.db2.gz FABMJIDQXGMYQE-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1 ZINC000105610534 179070617 /nfs/dbraw/zinc/07/06/17/179070617.db2.gz AQMTYUDRDXENIO-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@@H](CC1CCOCC1)N[C@@H](C)C(F)F ZINC000641792206 362725902 /nfs/dbraw/zinc/72/59/02/362725902.db2.gz SBAMBRRHOSUSEO-IUCAKERBSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1cccc(CN2CCC[C@]23CCOC3=O)c1 ZINC000186699836 179077489 /nfs/dbraw/zinc/07/74/89/179077489.db2.gz TXINWNDLYVFUET-OAHLLOKOSA-N 0 1 245.322 2.277 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@@H](F)C1 ZINC000574923659 346414265 /nfs/dbraw/zinc/41/42/65/346414265.db2.gz PBYZVRAPCYAXNG-SECBINFHSA-N 0 1 247.273 2.137 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000042163620 179075712 /nfs/dbraw/zinc/07/57/12/179075712.db2.gz LERQHNFDLZCWKP-CYBMUJFWSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1C ZINC000033740741 179076296 /nfs/dbraw/zinc/07/62/96/179076296.db2.gz FGAXJYSCRFMWCT-CYBMUJFWSA-N 0 1 233.311 2.352 20 0 BEADMN CC(C)OCCN1CC[C@H](C)[C@H](F)C1 ZINC000679222184 488319637 /nfs/dbraw/zinc/31/96/37/488319637.db2.gz NUJBCYQJDHIPGN-WDEREUQCSA-N 0 1 203.301 2.091 20 0 BEADMN CC[C@H](N[C@@H](C)C(F)F)C1CCOCC1 ZINC000641791834 362732780 /nfs/dbraw/zinc/73/27/80/362732780.db2.gz NVYZALQOCKBSQI-WPRPVWTQSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H](N[C@@H](C)C(F)F)C1CCOCC1 ZINC000641791833 362733357 /nfs/dbraw/zinc/73/33/57/362733357.db2.gz NVYZALQOCKBSQI-WCBMZHEXSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H](N[C@H](C)C(F)F)C1CCOCC1 ZINC000641791831 362733373 /nfs/dbraw/zinc/73/33/73/362733373.db2.gz NVYZALQOCKBSQI-PSASIEDQSA-N 0 1 221.291 2.435 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000641794046 362734061 /nfs/dbraw/zinc/73/40/61/362734061.db2.gz JQJSETHVKOZSGJ-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000641794046 362734064 /nfs/dbraw/zinc/73/40/64/362734064.db2.gz JQJSETHVKOZSGJ-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(C)ccc1OC ZINC000574955572 346454065 /nfs/dbraw/zinc/45/40/65/346454065.db2.gz XLGIEGATGYVCRR-TZMCWYRMSA-N 0 1 235.327 2.271 20 0 BEADMN CC[C@H](SC)c1nc([C@H]2CCCN2)no1 ZINC000309532265 347095088 /nfs/dbraw/zinc/09/50/88/347095088.db2.gz WGFBQMBMTWIZSR-SFYZADRCSA-N 0 1 227.333 2.308 20 0 BEADMN C(CN1CCO[C@@H]2CCC[C@H]21)OCC1CCC1 ZINC000419198608 192103186 /nfs/dbraw/zinc/10/31/86/192103186.db2.gz CVRPEYMFXHKGCB-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1c(CNCc2cccc(C)c2F)cnn1C ZINC000294911139 179095838 /nfs/dbraw/zinc/09/58/38/179095838.db2.gz AZQXIOREZIAGRL-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1cccc(CNCc2cnc(C)nc2)c1 ZINC000339283343 179096310 /nfs/dbraw/zinc/09/63/10/179096310.db2.gz PUSAWRLYVAPQGP-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CC[C@@H]1CN(CCOCC2CCC2)C[C@H](C)O1 ZINC000419208561 192104138 /nfs/dbraw/zinc/10/41/38/192104138.db2.gz RCHLCTAINRJDAB-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN CN(C(=O)c1c(O)cccc1F)c1cccnc1 ZINC000186144991 346495245 /nfs/dbraw/zinc/49/52/45/346495245.db2.gz YTNFHQVGILJWTJ-UHFFFAOYSA-N 0 1 246.241 2.203 20 0 BEADMN CC/C=C\CCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000342231819 346560279 /nfs/dbraw/zinc/56/02/79/346560279.db2.gz NCRQLPJBWHDWIZ-JXLSXLBDSA-N 0 1 236.359 2.086 20 0 BEADMN CC(C)(CNCc1cc[nH]n1)C(F)(F)F ZINC000380153008 346528239 /nfs/dbraw/zinc/52/82/39/346528239.db2.gz YESUYWASMAYRSO-UHFFFAOYSA-N 0 1 221.226 2.088 20 0 BEADMN CC(C)(C)OC1CC(N2CCc3n[nH]cc3C2)C1 ZINC000623015292 346542160 /nfs/dbraw/zinc/54/21/60/346542160.db2.gz VZJXOIMXMWXPDY-UHFFFAOYSA-N 0 1 249.358 2.114 20 0 BEADMN CCC(C)(C)CCN(C)[C@H](C)C(=O)OC ZINC000580144716 346554906 /nfs/dbraw/zinc/55/49/06/346554906.db2.gz OAEIRSBOPLDRIN-SNVBAGLBSA-N 0 1 215.337 2.306 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CCCC1(F)F ZINC000381656579 346587448 /nfs/dbraw/zinc/58/74/48/346587448.db2.gz ZOKMBHMGISWVRP-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN Cc1cccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000292786994 179124290 /nfs/dbraw/zinc/12/42/90/179124290.db2.gz MGXCVEUIGXMACI-HNNXBMFYSA-N 0 1 245.370 2.312 20 0 BEADMN Cc1[nH]nc2ncc(CNC3(CF)CCC3)cc12 ZINC000580646688 365841188 /nfs/dbraw/zinc/84/11/88/365841188.db2.gz OMFYXYSHFVHAQR-UHFFFAOYSA-N 0 1 248.305 2.248 20 0 BEADMN CC(C)CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178245171 346663487 /nfs/dbraw/zinc/66/34/87/346663487.db2.gz JZIPNKMBRKDNIA-JTQLQIEISA-N 0 1 238.297 2.211 20 0 BEADMN O=C(CC1CC1)Nc1cnn(-c2ccncc2)c1 ZINC000589077140 346664263 /nfs/dbraw/zinc/66/42/63/346664263.db2.gz HVJLECLFEHENIS-UHFFFAOYSA-N 0 1 242.282 2.006 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+](CC[C@@H](C)F)C1 ZINC000580205899 346665612 /nfs/dbraw/zinc/66/56/12/346665612.db2.gz HKRTVYFWCOWLIL-ZYHUDNBSSA-N 0 1 231.311 2.167 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+](CC[C@@H](C)F)C1 ZINC000580205898 346665845 /nfs/dbraw/zinc/66/58/45/346665845.db2.gz HKRTVYFWCOWLIL-PWSUYJOCSA-N 0 1 231.311 2.167 20 0 BEADMN Cc1cccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])c1 ZINC000203503957 346635545 /nfs/dbraw/zinc/63/55/45/346635545.db2.gz XSCKJXLUMJEREM-LLVKDONJSA-N 0 1 221.300 2.463 20 0 BEADMN COC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2)CCO1 ZINC000626171739 346704517 /nfs/dbraw/zinc/70/45/17/346704517.db2.gz IPRATGILPNYMOB-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@]1(C)CN([C@H](C)c2ccccc2)CCO1 ZINC000626171739 346704520 /nfs/dbraw/zinc/70/45/20/346704520.db2.gz IPRATGILPNYMOB-HIFRSBDPSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2)CCO1 ZINC000626171741 346704759 /nfs/dbraw/zinc/70/47/59/346704759.db2.gz IPRATGILPNYMOB-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@]1(C)CN([C@@H](C)c2ccccc2)CCO1 ZINC000626171741 346704761 /nfs/dbraw/zinc/70/47/61/346704761.db2.gz IPRATGILPNYMOB-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN CSCCCN1CC(C(F)(F)F)C1 ZINC000308158731 346707624 /nfs/dbraw/zinc/70/76/24/346707624.db2.gz CLVOFXGTCBNKRQ-UHFFFAOYSA-N 0 1 213.268 2.234 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1[C@H]2CC[C@@H]1CCC2 ZINC000334152812 187369977 /nfs/dbraw/zinc/36/99/77/187369977.db2.gz MXNJKHIWYNBZQG-PHIMTYICSA-N 0 1 232.331 2.199 20 0 BEADMN c1csc(CNCc2[nH]nc3ccccc32)n1 ZINC000589642526 346721794 /nfs/dbraw/zinc/72/17/94/346721794.db2.gz LHPXLNYNAQGUSO-UHFFFAOYSA-N 0 1 244.323 2.309 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cccc(N)c2)CCS1 ZINC000158786074 346723878 /nfs/dbraw/zinc/72/38/78/346723878.db2.gz DQHCZRVCKKUAMY-JTQLQIEISA-N 0 1 222.357 2.206 20 0 BEADMN Cc1cccc(NCCC[C@H](C)CO)n1 ZINC000227000864 179143613 /nfs/dbraw/zinc/14/36/13/179143613.db2.gz ARVFWMLZOOBNAL-JTQLQIEISA-N 0 1 208.305 2.211 20 0 BEADMN Cc1cccc(NCCC(=O)NC(C)(C)C)n1 ZINC000122122904 179144499 /nfs/dbraw/zinc/14/44/99/179144499.db2.gz AWTKQRCJMOCOHA-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN Cc1cccc(NC[C@H]2CCCOC2)n1 ZINC000038046211 179148515 /nfs/dbraw/zinc/14/85/15/179148515.db2.gz XMUSLALIOGGZGY-LLVKDONJSA-N 0 1 206.289 2.229 20 0 BEADMN Cc1csc([C@@H](C)NCCc2cnccn2)n1 ZINC000402861572 346747615 /nfs/dbraw/zinc/74/76/15/346747615.db2.gz XWQFNCFRQHJEJL-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CCCCOCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345355888 365862458 /nfs/dbraw/zinc/86/24/58/365862458.db2.gz NWSTVSQNZVELJJ-VXGBXAGGSA-N 0 1 237.347 2.295 20 0 BEADMN CCCCOCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000345355886 365862495 /nfs/dbraw/zinc/86/24/95/365862495.db2.gz NWSTVSQNZVELJJ-RYUDHWBXSA-N 0 1 237.347 2.295 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CCc1ccccc1Cl ZINC000582043180 347120044 /nfs/dbraw/zinc/12/00/44/347120044.db2.gz DUYKHDGBORPKRG-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN c1[nH]nnc1CCOCCSc1ccccc1 ZINC000582052696 347141278 /nfs/dbraw/zinc/14/12/78/347141278.db2.gz DYCRJLJEXUZOHT-UHFFFAOYSA-N 0 1 249.339 2.156 20 0 BEADMN CCc1nnc([C@H](C)N[C@H]2CCC[C@H]2C)o1 ZINC000390584572 259394485 /nfs/dbraw/zinc/39/44/85/259394485.db2.gz XVVSIGHPDLDZKO-UTLUCORTSA-N 0 1 223.320 2.471 20 0 BEADMN CCc1nc(CN(CC)Cc2ccccc2)n[nH]1 ZINC000185147866 347191536 /nfs/dbraw/zinc/19/15/36/347191536.db2.gz LMHFKMFCIZEMMG-UHFFFAOYSA-N 0 1 244.342 2.389 20 0 BEADMN CCC[C@@H](C(=O)Nc1nnc(CC)[nH]1)C(C)C ZINC000182243309 347196665 /nfs/dbraw/zinc/19/66/65/347196665.db2.gz LQFXFPYOZPWFOQ-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@@H](C(=O)Nc1nc(CC)n[nH]1)C(C)C ZINC000182243309 347196667 /nfs/dbraw/zinc/19/66/67/347196667.db2.gz LQFXFPYOZPWFOQ-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@H](C(=O)Nc1nnc(CC)[nH]1)C(C)C ZINC000182243289 347196842 /nfs/dbraw/zinc/19/68/42/347196842.db2.gz LQFXFPYOZPWFOQ-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@H](C(=O)Nc1nc(CC)n[nH]1)C(C)C ZINC000182243289 347196844 /nfs/dbraw/zinc/19/68/44/347196844.db2.gz LQFXFPYOZPWFOQ-VIFPVBQESA-N 0 1 238.335 2.378 20 0 BEADMN CCNC(=O)[C@H](C)N[C@@H](CC)c1ccsc1 ZINC000382140330 347197819 /nfs/dbraw/zinc/19/78/19/347197819.db2.gz QMTKDYHGIKUTKO-ONGXEEELSA-N 0 1 240.372 2.313 20 0 BEADMN CCc1nc(CN2CCc3c2cccc3F)n[nH]1 ZINC000184691081 347174046 /nfs/dbraw/zinc/17/40/46/347174046.db2.gz WSDSDFQCSNHAPJ-UHFFFAOYSA-N 0 1 246.289 2.069 20 0 BEADMN Cc1cccc(CCN2C[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000563052105 347215157 /nfs/dbraw/zinc/21/51/57/347215157.db2.gz GASHLWWBZSCVEO-BFHYXJOUSA-N 0 1 248.370 2.430 20 0 BEADMN CO[C@@H](CNCc1cnc(C2CC2)o1)C1CC1 ZINC000628295620 347229276 /nfs/dbraw/zinc/22/92/76/347229276.db2.gz DEPBRNZBIREPIT-LBPRGKRZSA-N 0 1 236.315 2.067 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCOC[C@@H]1C ZINC000624148846 347280622 /nfs/dbraw/zinc/28/06/22/347280622.db2.gz PDCJPJVGPZCBMS-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN CCN1CCCN(Cc2cccc(C)c2)CC1=O ZINC000190203371 347323472 /nfs/dbraw/zinc/32/34/72/347323472.db2.gz UDUKWKOFLBFTHS-UHFFFAOYSA-N 0 1 246.354 2.049 20 0 BEADMN CC1(C)CN(Cc2ccncc2)CC(C)(C)O1 ZINC000190524197 347331896 /nfs/dbraw/zinc/33/18/96/347331896.db2.gz WULFVGVDFUKNGM-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN F[C@H]1CCN(Cc2cccc3n[nH]cc32)C1 ZINC000628298984 347345768 /nfs/dbraw/zinc/34/57/68/347345768.db2.gz ZDLFFYQZDJPRPO-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN CO[C@H](Cc1ccccc1)CN1CC[C@@H](F)C1 ZINC000451190944 323142521 /nfs/dbraw/zinc/14/25/21/323142521.db2.gz GZIMTHVKMOWRHY-ZIAGYGMSSA-N 0 1 237.318 2.288 20 0 BEADMN CCN1CCCN(Cc2ccc(C)cc2)CC1=O ZINC000190172713 347322478 /nfs/dbraw/zinc/32/24/78/347322478.db2.gz RHQKYEHTXBWBME-UHFFFAOYSA-N 0 1 246.354 2.049 20 0 BEADMN CC(C)=CCN(C)Cc1cnn(C)c1C ZINC000571479513 323145794 /nfs/dbraw/zinc/14/57/94/323145794.db2.gz OJDLQTAIFCHLDH-UHFFFAOYSA-N 0 1 207.321 2.127 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616921763 347451190 /nfs/dbraw/zinc/45/11/90/347451190.db2.gz BLSVDQNTDHRLOJ-NSHDSACASA-N 0 1 237.347 2.440 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC1CCCCC1 ZINC000616922169 347452157 /nfs/dbraw/zinc/45/21/57/347452157.db2.gz RKGFGIJDAJCCLD-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN Cc1oc(C)c(C(=O)N(C)Cc2cnc[nH]2)c1C ZINC000616922776 347453602 /nfs/dbraw/zinc/45/36/02/347453602.db2.gz IZNFVPZQFYBMAW-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN Cc1cccc2ncc(CN[C@@H](C)CF)n21 ZINC000309800392 179231660 /nfs/dbraw/zinc/23/16/60/179231660.db2.gz WGIHYSIRPMTMAV-VIFPVBQESA-N 0 1 221.279 2.090 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCO2)cs1 ZINC000020253448 347437624 /nfs/dbraw/zinc/43/76/24/347437624.db2.gz JDIIYBYJQOHYNH-LDYMZIIASA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H]1CCC[C@H](C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616925598 347456977 /nfs/dbraw/zinc/45/69/77/347456977.db2.gz LABNVZPSQLGYGG-QWRGUYRKSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1cccc2nc(CN3CC[C@H](C)C3)cn21 ZINC000263715200 179229163 /nfs/dbraw/zinc/22/91/63/179229163.db2.gz NVANAOPLTJVEHH-NSHDSACASA-N 0 1 229.327 2.485 20 0 BEADMN Cc1cccc2nc(N3CC(N(C)C)C3)sc21 ZINC000280823546 179229243 /nfs/dbraw/zinc/22/92/43/179229243.db2.gz YISCWKPHGZFGFG-UHFFFAOYSA-N 0 1 247.367 2.355 20 0 BEADMN Cc1ccccc1C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000336387639 179247485 /nfs/dbraw/zinc/24/74/85/179247485.db2.gz LMPHCBNOMDMNHV-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN CCCC[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928617 347495124 /nfs/dbraw/zinc/49/51/24/347495124.db2.gz GXHYNNQYDBCJLD-JTQLQIEISA-N 0 1 223.320 2.194 20 0 BEADMN CCC1(C(=O)N(C)Cc2cnc[nH]2)CCCC1 ZINC000616926790 347459404 /nfs/dbraw/zinc/45/94/04/347459404.db2.gz QCYSTXDIKWPHTM-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN CCc1oc(C(=O)N(C)Cc2cnc[nH]2)cc1C ZINC000616926887 347459811 /nfs/dbraw/zinc/45/98/11/347459811.db2.gz UEGBSDAPGDURLK-UHFFFAOYSA-N 0 1 247.298 2.146 20 0 BEADMN CCC[C@H](C(=O)N(C)Cc1cnc[nH]1)C(C)C ZINC000616927022 347459978 /nfs/dbraw/zinc/45/99/78/347459978.db2.gz YPGMMBKSWRLROZ-LBPRGKRZSA-N 0 1 237.347 2.440 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)c1ccc(CN)o1 ZINC000011628070 347462040 /nfs/dbraw/zinc/46/20/40/347462040.db2.gz JJMWQACHAJWKNQ-SNVBAGLBSA-N 0 1 236.315 2.143 20 0 BEADMN CC1(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CCC1 ZINC000380107148 365882547 /nfs/dbraw/zinc/88/25/47/365882547.db2.gz RAJCUGVRYKFHPF-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000197044137 347540318 /nfs/dbraw/zinc/54/03/18/347540318.db2.gz XLEFENMJUFKJSW-NSHDSACASA-N 0 1 229.327 2.415 20 0 BEADMN CCc1cc(C(=O)N(CC)[C@@H](C)CC)n[nH]1 ZINC000616983335 347565220 /nfs/dbraw/zinc/56/52/20/347565220.db2.gz LHGCMWZQGDGZJW-VIFPVBQESA-N 0 1 223.320 2.233 20 0 BEADMN Cc1occc1CNCc1nc(C)ccc1O ZINC000590882249 347578984 /nfs/dbraw/zinc/57/89/84/347578984.db2.gz YBHBSEKQFGWZNL-UHFFFAOYSA-N 0 1 232.283 2.287 20 0 BEADMN Cc1ccccc1CCN(C)C(=O)c1ccn[nH]1 ZINC000295443729 179263441 /nfs/dbraw/zinc/26/34/41/179263441.db2.gz ONXABVLVLJJHIN-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN Cc1nnsc1CNCc1ccccc1C ZINC000309521253 179283473 /nfs/dbraw/zinc/28/34/73/179283473.db2.gz AOJFUMQRTGBOEE-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Fc1ccc2c(c1)[C@H](NCc1cn[nH]c1)CC2 ZINC000592463475 347779050 /nfs/dbraw/zinc/77/90/50/347779050.db2.gz WRIVSZFEOQODSC-CYBMUJFWSA-N 0 1 231.274 2.326 20 0 BEADMN COC(=O)c1cccc2c1CN(CC(C)C)CC2 ZINC000592162520 347745851 /nfs/dbraw/zinc/74/58/51/347745851.db2.gz NXZISVJTDSRFRQ-UHFFFAOYSA-N 0 1 247.338 2.487 20 0 BEADMN CCc1cnc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000525787662 259397690 /nfs/dbraw/zinc/39/76/90/259397690.db2.gz LDHOBXWWIIDMGU-ZJUUUORDSA-N 0 1 208.305 2.467 20 0 BEADMN Cc1ccccc1[C@@H]1CN(C[C@H](C)O)[C@@H](C)CO1 ZINC000249609738 179329747 /nfs/dbraw/zinc/32/97/47/179329747.db2.gz RXBJPDNUROMTED-YDHLFZDLSA-N 0 1 249.354 2.138 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC(=O)NC1CC1 ZINC000124099946 179334934 /nfs/dbraw/zinc/33/49/34/179334934.db2.gz GXEJJTAAOVJAJO-LBPRGKRZSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)C(=O)CN(C)C ZINC000338341990 179333869 /nfs/dbraw/zinc/33/38/69/179333869.db2.gz DWFIKJRAUXNDGN-LBPRGKRZSA-N 0 1 234.343 2.076 20 0 BEADMN Cc1ccccc1[C@H]1C(=O)NCCN1CC(C)C ZINC000375192646 179347626 /nfs/dbraw/zinc/34/76/26/179347626.db2.gz KHTCTEANZWFDOV-AWEZNQCLSA-N 0 1 246.354 2.124 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC[C@H](C)C1 ZINC000294899428 179341657 /nfs/dbraw/zinc/34/16/57/179341657.db2.gz ZASCXJBOJXJZGE-FZMZJTMJSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCCCCC1 ZINC000257669735 179342159 /nfs/dbraw/zinc/34/21/59/179342159.db2.gz GQLMIGZFPKEXRJ-AWEZNQCLSA-N 0 1 246.354 2.397 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000295218848 179342611 /nfs/dbraw/zinc/34/26/11/179342611.db2.gz QSRKDJHOHKPBLW-QKCSRTOESA-N 0 1 246.354 2.252 20 0 BEADMN CCc1nc([C@H](C)S[C@@H]2CCO[C@@H]2C)n[nH]1 ZINC000594892860 348126589 /nfs/dbraw/zinc/12/65/89/348126589.db2.gz KCUCNPHRQJSSQI-HRDYMLBCSA-N 0 1 241.360 2.339 20 0 BEADMN CCc1nc([C@@H](C)[S@](=O)CCC(C)C)n[nH]1 ZINC000594664199 348094656 /nfs/dbraw/zinc/09/46/56/348094656.db2.gz LCSKBOLJOBBCDR-JDNHERCYSA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@@H](C)[S@](=O)CC(C)(C)C)n[nH]1 ZINC000594666362 348095586 /nfs/dbraw/zinc/09/55/86/348095586.db2.gz NTXAMGIHXIIOCB-VPTHRUTESA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)C[C@@H](C)CC)n[nH]1 ZINC000594667671 348095991 /nfs/dbraw/zinc/09/59/91/348095991.db2.gz YTQZFLKKKJGHOS-OMQMVUIESA-N 0 1 243.376 2.223 20 0 BEADMN CCSC1(C[NH2+]Cc2cn[nH]c2C)CC1 ZINC000594986139 348165683 /nfs/dbraw/zinc/16/56/83/348165683.db2.gz AGPMALQIGBZURM-UHFFFAOYSA-N 0 1 225.361 2.093 20 0 BEADMN CCSC1(CNCc2cocn2)CC1 ZINC000594987525 348166237 /nfs/dbraw/zinc/16/62/37/348166237.db2.gz WIYWNMKDQUBKCB-UHFFFAOYSA-N 0 1 212.318 2.050 20 0 BEADMN C[C@@H](CSCCF)NCc1nccs1 ZINC000595018057 348170671 /nfs/dbraw/zinc/17/06/71/348170671.db2.gz OZDRYVKEBHOVJG-QMMMGPOBSA-N 0 1 234.365 2.324 20 0 BEADMN CCc1nc([C@@H](C)S[C@@H]2CCCOC2)n[nH]1 ZINC000594898338 348131080 /nfs/dbraw/zinc/13/10/80/348131080.db2.gz NVXPVDGEFJKACN-RKDXNWHRSA-N 0 1 241.360 2.340 20 0 BEADMN CCOC(=O)CN(C)C[C@@H](CC)CC(F)F ZINC000595297654 348217018 /nfs/dbraw/zinc/21/70/18/348217018.db2.gz IJJCRCVDVRJTEA-VIFPVBQESA-N 0 1 237.290 2.163 20 0 BEADMN CN(CC(=O)OC(C)(C)C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595303482 348221452 /nfs/dbraw/zinc/22/14/52/348221452.db2.gz LPSRKWCKUWPXDG-ZSBIGDGJSA-N 0 1 239.359 2.306 20 0 BEADMN Cc1cc(CN[C@@H](C)CSCCF)on1 ZINC000595015647 348185968 /nfs/dbraw/zinc/18/59/68/348185968.db2.gz ZKOLMHSVCYGJOJ-VIFPVBQESA-N 0 1 232.324 2.164 20 0 BEADMN CC(C)(NC[C@@H]1CCCO1)c1nccs1 ZINC000231730897 187391353 /nfs/dbraw/zinc/39/13/53/187391353.db2.gz RTOBVZHNZCFBIY-VIFPVBQESA-N 0 1 226.345 2.147 20 0 BEADMN C[C@H]1CN(CCC2CCC2)C[C@H](C)S1=O ZINC000595454763 348254725 /nfs/dbraw/zinc/25/47/25/348254725.db2.gz NHRBWIGJGIMPFN-QWRGUYRKSA-N 0 1 229.389 2.018 20 0 BEADMN C[C@H]1CCN(CCC2CCC2)CC[S@]1=O ZINC000595458667 348256141 /nfs/dbraw/zinc/25/61/41/348256141.db2.gz JSDQSXSIPJDLNW-XHDPSFHLSA-N 0 1 229.389 2.020 20 0 BEADMN CC[C@@H](CC(F)F)CN(C)[C@H](C)C(=O)OC ZINC000595464082 348256844 /nfs/dbraw/zinc/25/68/44/348256844.db2.gz GIOCJPKLAQGPDD-BDAKNGLRSA-N 0 1 237.290 2.161 20 0 BEADMN CC[C@@]1(C)CN(CCOCC2CCC2)CCO1 ZINC000419262422 192117084 /nfs/dbraw/zinc/11/70/84/192117084.db2.gz VWRFJEDMUZFGOH-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CCCN(C[C@H](CC)OC)[C@@H](C)C(=O)OCC ZINC000419311957 192120525 /nfs/dbraw/zinc/12/05/25/192120525.db2.gz RTFCCYKNBOKVFS-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@@H](NCc1nnc(C)o1)[C@H]1CC1(C)C ZINC000419319558 192120848 /nfs/dbraw/zinc/12/08/48/192120848.db2.gz WBSWTRJJQCBIEQ-NXEZZACHSA-N 0 1 223.320 2.292 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H](N)c1ccccc1 ZINC000037265164 187392744 /nfs/dbraw/zinc/39/27/44/187392744.db2.gz GKQCIADRAHXMJH-YPMHNXCESA-N 0 1 234.343 2.237 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1[nH]ncc1C ZINC000651913299 490154827 /nfs/dbraw/zinc/15/48/27/490154827.db2.gz RYILNOSMWUTUEO-NEPJUHHUSA-N 0 1 237.347 2.108 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1c[nH]c2ccccc12 ZINC001639397373 1172102872 /nfs/dbraw/zinc/10/28/72/1172102872.db2.gz YPCHTIHRDWYYIX-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN COC(=O)C12CC(C1)CN2CCCC(C)(C)C ZINC000595680787 348312371 /nfs/dbraw/zinc/31/23/71/348312371.db2.gz WAMLJFPHMLWCJB-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595837050 348370878 /nfs/dbraw/zinc/37/08/78/348370878.db2.gz OFXBPCKOBASZDL-GFCCVEGCSA-N 0 1 225.332 2.062 20 0 BEADMN COC(=O)[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1C ZINC000595820158 348360709 /nfs/dbraw/zinc/36/07/09/348360709.db2.gz SCJMAQMIIXONPR-WCQYABFASA-N 0 1 237.343 2.228 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@H](C2CCC2)C1 ZINC000595831507 348365758 /nfs/dbraw/zinc/36/57/58/348365758.db2.gz DFVPHXAWZJJPOY-JQWIXIFHSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419358018 192126691 /nfs/dbraw/zinc/12/66/91/192126691.db2.gz PSMJYNXWURVYKK-LMLFDSFASA-N 0 1 249.362 2.045 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)n1C1CC1 ZINC000419374998 192129295 /nfs/dbraw/zinc/12/92/95/192129295.db2.gz QVTSKSHYDUVROP-DCAQKATOSA-N 0 1 248.374 2.398 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000419375988 192129306 /nfs/dbraw/zinc/12/93/06/192129306.db2.gz SJMPVJYCBJYQSG-GARJFASQSA-N 0 1 249.358 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000419375988 192129307 /nfs/dbraw/zinc/12/93/07/192129307.db2.gz SJMPVJYCBJYQSG-GARJFASQSA-N 0 1 249.358 2.221 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000419391696 192130556 /nfs/dbraw/zinc/13/05/56/192130556.db2.gz KBWXHZWTGRSLHB-GARJFASQSA-N 0 1 237.347 2.498 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nc(C3CC3)no2)C[C@H]1C ZINC000419399482 192131351 /nfs/dbraw/zinc/13/13/51/192131351.db2.gz YZYDYQSWCLLXKK-OPRDCNLKSA-N 0 1 235.331 2.423 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)s1 ZINC000419376006 192129071 /nfs/dbraw/zinc/12/90/71/192129071.db2.gz SMPMKDDHKIQRST-CIUDSAMLSA-N 0 1 225.361 2.323 20 0 BEADMN CCc1ccc(CN2CCN(C)CC2)s1 ZINC000205178263 348462072 /nfs/dbraw/zinc/46/20/72/348462072.db2.gz DXDDXPMEVYLAAL-UHFFFAOYSA-N 0 1 224.373 2.058 20 0 BEADMN Cc1ccncc1CNCc1cccnc1C ZINC000336713044 179487644 /nfs/dbraw/zinc/48/76/44/179487644.db2.gz OCQJEVFCULROBX-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000082717781 348492564 /nfs/dbraw/zinc/49/25/64/348492564.db2.gz UDMZYXHLKKDMCC-LLVKDONJSA-N 0 1 221.300 2.381 20 0 BEADMN CCSC1(CNc2ncnc3[nH]cnc32)CC1 ZINC000596512782 348574081 /nfs/dbraw/zinc/57/40/81/348574081.db2.gz LJQQKTHSNVXKJT-UHFFFAOYSA-N 0 1 249.343 2.002 20 0 BEADMN COC(=O)c1ccc(CN[C@@H](C)CF)cc1F ZINC000597133430 348660806 /nfs/dbraw/zinc/66/08/06/348660806.db2.gz RMCODGBNBIOIQC-QMMMGPOBSA-N 0 1 243.253 2.060 20 0 BEADMN CSC1(CNCc2ncc(C)o2)CCC1 ZINC000308797555 348642572 /nfs/dbraw/zinc/64/25/72/348642572.db2.gz LAVGXXNZYBWQMC-UHFFFAOYSA-N 0 1 226.345 2.358 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2cscn2)C1(C)C ZINC000082784220 348725506 /nfs/dbraw/zinc/72/55/06/348725506.db2.gz XWJGOWDGVLVSBY-WDEREUQCSA-N 0 1 240.372 2.436 20 0 BEADMN CCCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000362106239 168594191 /nfs/dbraw/zinc/59/41/91/168594191.db2.gz LKJOQDGQEUHTML-NSHDSACASA-N 0 1 247.342 2.484 20 0 BEADMN CCCC1(CNC(=O)Cc2cc(C)n[nH]2)CCC1 ZINC000157376695 168595732 /nfs/dbraw/zinc/59/57/32/168595732.db2.gz OFPRHPSWPWFUGV-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN NCc1nccnc1N1CCC[C@@H]1C1CCCC1 ZINC000054378062 1172109473 /nfs/dbraw/zinc/10/94/73/1172109473.db2.gz SRQYRRIHOSWRGV-CYBMUJFWSA-N 0 1 246.358 2.094 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](C)CCO)c(C)s1 ZINC000123331920 490221456 /nfs/dbraw/zinc/22/14/56/490221456.db2.gz VKKDTIGXGKJXGV-JGVFFNPUSA-N 0 1 228.361 2.181 20 0 BEADMN Cn1ccnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000075768665 349035630 /nfs/dbraw/zinc/03/56/30/349035630.db2.gz HBKXIGIEVNQWSM-NEPJUHHUSA-N 0 1 219.332 2.185 20 0 BEADMN CCn1ncnc1CN1C[C@@H](C)CCC[C@H]1C ZINC000248733082 349146950 /nfs/dbraw/zinc/14/69/50/349146950.db2.gz MLRHOPVPCNZYSS-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCCCCF ZINC000308952189 349181229 /nfs/dbraw/zinc/18/12/29/349181229.db2.gz XBSHCEWTKVAVKM-JTQLQIEISA-N 0 1 217.284 2.065 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCC1CCCC1 ZINC000599351591 349156105 /nfs/dbraw/zinc/15/61/05/349156105.db2.gz AIZXNIUMVRZWPS-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccn2)[C@H]1C ZINC000248912544 349157584 /nfs/dbraw/zinc/15/75/84/349157584.db2.gz YLKNGJGWFSKUEN-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccncc1Cl ZINC000421856083 192389986 /nfs/dbraw/zinc/38/99/86/192389986.db2.gz NKBSZLXFVVMBJM-HOTUBEGUSA-N 0 1 240.734 2.299 20 0 BEADMN CSCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252913690 349215218 /nfs/dbraw/zinc/21/52/18/349215218.db2.gz OQCIRRHDQVCDIT-AXFHLTTASA-N 0 1 243.372 2.067 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000253113393 349224175 /nfs/dbraw/zinc/22/41/75/349224175.db2.gz HNZSVIMJBUOBET-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC1CCCC1 ZINC000300731384 349293310 /nfs/dbraw/zinc/29/33/10/349293310.db2.gz FSJWHCPMFJAMJZ-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ncc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1 ZINC000294625664 179876241 /nfs/dbraw/zinc/87/62/41/179876241.db2.gz HHFRVFPXBJUGFZ-ZYHUDNBSSA-N 0 1 247.342 2.369 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]2c2ccc[nH]2)[nH]1 ZINC000264715710 179878423 /nfs/dbraw/zinc/87/84/23/179878423.db2.gz FFANNLDWAGVQKO-LBPRGKRZSA-N 0 1 244.298 2.024 20 0 BEADMN CC[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC000421917990 192408374 /nfs/dbraw/zinc/40/83/74/192408374.db2.gz PEBUFQQRXJPPAG-VIFPVBQESA-N 0 1 231.299 2.339 20 0 BEADMN CCCCN1CCN(c2nccs2)CC1 ZINC000060976982 349365361 /nfs/dbraw/zinc/36/53/61/349365361.db2.gz GUZHRLHSTNQCSN-UHFFFAOYSA-N 0 1 225.361 2.065 20 0 BEADMN CC[C@H](NCC[N@@H+](C)CC)c1ccc(F)cn1 ZINC000161333264 349424805 /nfs/dbraw/zinc/42/48/05/349424805.db2.gz SOGTZBKRKLIESZ-LBPRGKRZSA-N 0 1 239.338 2.213 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])[C@@H]1CCSC1 ZINC000070595964 350026905 /nfs/dbraw/zinc/02/69/05/350026905.db2.gz HEYFTZVTLCNZLM-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1nc(NC(=N)N)sc1-c1ccccc1 ZINC000352795865 180005529 /nfs/dbraw/zinc/00/55/29/180005529.db2.gz LNKOZAJCTOZFNC-UHFFFAOYSA-N 0 1 232.312 2.424 20 0 BEADMN Cc1nnc(NC(=O)C2CCC(C)(C)CC2)[nH]1 ZINC000153419577 180005971 /nfs/dbraw/zinc/00/59/71/180005971.db2.gz IPEXENHAPBTWSY-UHFFFAOYSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)C=C2CCC(C)CC2)[nH]1 ZINC000114687254 180007191 /nfs/dbraw/zinc/00/71/91/180007191.db2.gz YRHGAAQGOBDRLH-UHFFFAOYSA-N 0 1 234.303 2.188 20 0 BEADMN Cc1n[nH]c(NC(=O)C=C2CCC(C)CC2)n1 ZINC000114687254 180007192 /nfs/dbraw/zinc/00/71/92/180007192.db2.gz YRHGAAQGOBDRLH-UHFFFAOYSA-N 0 1 234.303 2.188 20 0 BEADMN CC[C@@H](C)[N@@H+](C)CCCCCC(=O)[O-] ZINC000071286282 350096321 /nfs/dbraw/zinc/09/63/21/350096321.db2.gz BDQOIUBURCOVTR-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1ccoc1C(=O)Nc1ccc2cncn2c1 ZINC001639572892 1172118096 /nfs/dbraw/zinc/11/80/96/1172118096.db2.gz UFCDBRDLOSWNSN-UHFFFAOYSA-N 0 1 241.250 2.488 20 0 BEADMN C[C@@](N)(C(=O)NC[C@@H]1CC1(C)C)c1ccccc1 ZINC000219228912 350117751 /nfs/dbraw/zinc/11/77/51/350117751.db2.gz LKKKEKVBEZQHKP-WFASDCNBSA-N 0 1 246.354 2.023 20 0 BEADMN Cc1nc([C@H](C)NC[C@H]2CCCO2)cs1 ZINC000022863187 180048871 /nfs/dbraw/zinc/04/88/71/180048871.db2.gz YFSRRIDSVMGOGF-WCBMZHEXSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@H](C)NCCC(C)(C)O)cs1 ZINC000273262881 180049449 /nfs/dbraw/zinc/04/94/49/180049449.db2.gz GANJTHQWJLKCPI-QMMMGPOBSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)cs1 ZINC000163424042 180051076 /nfs/dbraw/zinc/05/10/76/180051076.db2.gz AAGAPUPIZLUSBC-XROYCOCOSA-N 0 1 240.372 2.262 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCCC[C@@H]2O)cs1 ZINC000051997930 180051111 /nfs/dbraw/zinc/05/11/11/180051111.db2.gz SNRHEXLRHAPONY-PEXQALLHSA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCCOC2)cs1 ZINC000071012045 180051224 /nfs/dbraw/zinc/05/12/24/180051224.db2.gz XEALREUGTFDKEL-WCBMZHEXSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCCC[C@H]2O)cs1 ZINC000250906632 180051556 /nfs/dbraw/zinc/05/15/56/180051556.db2.gz SNRHEXLRHAPONY-PTOFAABTSA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nc([C@H](C)SC[C@@H]2CCCO2)n[nH]1 ZINC000334057438 180053108 /nfs/dbraw/zinc/05/31/08/180053108.db2.gz WFKJECKSQIGATI-CBAPKCEASA-N 0 1 227.333 2.086 20 0 BEADMN Cc1nc([C@H]2CCCN(Cc3ccco3)C2)no1 ZINC000378349872 180056107 /nfs/dbraw/zinc/05/61/07/180056107.db2.gz LLZRSNWUDTYYTH-NSHDSACASA-N 0 1 247.298 2.351 20 0 BEADMN Cc1ccccc1[C@H]1CN(CC(C)(C)O)CCO1 ZINC000304335159 350154744 /nfs/dbraw/zinc/15/47/44/350154744.db2.gz RUWFNPNBFHPINL-CQSZACIVSA-N 0 1 249.354 2.139 20 0 BEADMN Cc1ncc(CN(C)C[C@H]2CC[C@H](C)O2)s1 ZINC000188540728 180137742 /nfs/dbraw/zinc/13/77/42/180137742.db2.gz MQQWDPVZRYSSMV-GXSJLCMTSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)CC2)cn1 ZINC000336488483 180144000 /nfs/dbraw/zinc/14/40/00/180144000.db2.gz LYMDTPYGAXOCTJ-SNVBAGLBSA-N 0 1 237.372 2.112 20 0 BEADMN Cc1ncc(CN2CCS[C@@H](C)CC2)cn1 ZINC000336488482 180144290 /nfs/dbraw/zinc/14/42/90/180144290.db2.gz LYMDTPYGAXOCTJ-JTQLQIEISA-N 0 1 237.372 2.112 20 0 BEADMN COc1ccncc1CN1[C@H](C)C[C@H]1C ZINC000334336952 538066438 /nfs/dbraw/zinc/06/64/38/538066438.db2.gz ULMNFDOLCAJCQA-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN Cc1ncc(CNCc2cccc(F)c2)cn1 ZINC000339279540 180155057 /nfs/dbraw/zinc/15/50/57/180155057.db2.gz DUXLISWISIGFBD-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CCN1CCN(C(=O)CC(C)(C)CC)C[C@@H]1C ZINC000677171853 490369314 /nfs/dbraw/zinc/36/93/14/490369314.db2.gz CNQKSQJPLTWEMJ-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc(CNCc2cnc(C)nc2)s1 ZINC000336747732 180152241 /nfs/dbraw/zinc/15/22/41/180152241.db2.gz XMTRVADOTDEFFC-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CC[C@@H](C)C[S@@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427474115 191076829 /nfs/dbraw/zinc/07/68/29/191076829.db2.gz ZYUVZWLNCKGVDG-JDNHERCYSA-N 0 1 243.376 2.223 20 0 BEADMN Cc1nccc(NC[C@H](O)C(C)C)c1Cl ZINC000309017282 180200891 /nfs/dbraw/zinc/20/08/91/180200891.db2.gz ROILQKMUZMHSRG-JTQLQIEISA-N 0 1 228.723 2.472 20 0 BEADMN Cc1nccc(CN2CCS[C@@H](C)[C@@H]2C)n1 ZINC000336435666 180184656 /nfs/dbraw/zinc/18/46/56/180184656.db2.gz ILJFGLTVYBQKJA-UWVGGRQHSA-N 0 1 237.372 2.111 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1nccs1 ZINC000125514820 191081281 /nfs/dbraw/zinc/08/12/81/191081281.db2.gz VGWMRFFBWRAHQF-WDEREUQCSA-N 0 1 240.372 2.269 20 0 BEADMN C[C@@H]1c2ccsc2CCN1C(=O)c1ccn[nH]1 ZINC000049623952 350245582 /nfs/dbraw/zinc/24/55/82/350245582.db2.gz ABYVWXXCOYFOOK-MRVPVSSYSA-N 0 1 247.323 2.231 20 0 BEADMN Cc1nccnc1CCN[C@H](C)c1cscn1 ZINC000294878566 180275645 /nfs/dbraw/zinc/27/56/45/180275645.db2.gz DELINAJENGTMSB-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN CC[C@@H]1CCCC[C@H]1N(C)c1nccnc1CN ZINC001639625271 1172124664 /nfs/dbraw/zinc/12/46/64/1172124664.db2.gz AMLKCPBJYHUIDK-DGCLKSJQSA-N 0 1 248.374 2.340 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1ccccc1 ZINC000037595974 350270686 /nfs/dbraw/zinc/27/06/86/350270686.db2.gz MRSWFFJBNUGCPJ-UHFFFAOYSA-N 0 1 235.327 2.414 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)c2cccs2)n[nH]1 ZINC000606372305 350321066 /nfs/dbraw/zinc/32/10/66/350321066.db2.gz OKEOTUMXDHYHSB-SECBINFHSA-N 0 1 249.339 2.200 20 0 BEADMN CCCc1cc(C(=O)N(CC)C2CCC2)n[nH]1 ZINC000606378372 350322631 /nfs/dbraw/zinc/32/26/31/350322631.db2.gz YHLBGJBGEMDXNR-UHFFFAOYSA-N 0 1 235.331 2.377 20 0 BEADMN CCCCCCC(=O)NCc1cn[nH]c1C ZINC000038011804 350294784 /nfs/dbraw/zinc/29/47/84/350294784.db2.gz WCIXGEYJFCNFJD-UHFFFAOYSA-N 0 1 223.320 2.305 20 0 BEADMN COCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606449403 350339314 /nfs/dbraw/zinc/33/93/14/350339314.db2.gz VOVHLYDHSXBFKR-JTQLQIEISA-N 0 1 223.291 2.391 20 0 BEADMN Cc1ncsc1CN(C)C[C@@H]1CCCCO1 ZINC000171752581 180313646 /nfs/dbraw/zinc/31/36/46/180313646.db2.gz VLFGVQUKCGWQSV-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncsc1CN(C)C[C@@H]1CCCO1 ZINC000108871712 180314541 /nfs/dbraw/zinc/31/45/41/180314541.db2.gz RVAGDDDXUFYJEV-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CCc1c(C)nn(-c2ccncc2)c1C ZINC000040445297 350364446 /nfs/dbraw/zinc/36/44/46/350364446.db2.gz QMQDTWIIGBTXLP-UHFFFAOYSA-N 0 1 201.273 2.447 20 0 BEADMN Cc1ncsc1CC[N@@H+]1CCOCC[C@@H]1C ZINC000364298601 180309978 /nfs/dbraw/zinc/30/99/78/180309978.db2.gz GXCLYQMDOUPESJ-JTQLQIEISA-N 0 1 240.372 2.105 20 0 BEADMN COc1ccccc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054603081 1172127603 /nfs/dbraw/zinc/12/76/03/1172127603.db2.gz PWOWKSVSCYZIOG-BETUJISGSA-N 0 1 245.322 2.391 20 0 BEADMN CCN(Cc1nccc(C)n1)CC(C)C ZINC000336645945 350415588 /nfs/dbraw/zinc/41/55/88/350415588.db2.gz JJHHQDMNUDJFSP-UHFFFAOYSA-N 0 1 207.321 2.263 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccsc1 ZINC000060394096 180340117 /nfs/dbraw/zinc/34/01/17/180340117.db2.gz CEEFOHNFUGGHAM-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccoc1C ZINC000358013984 180379142 /nfs/dbraw/zinc/37/91/42/180379142.db2.gz JMWRTKQEFIOZRS-SECBINFHSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cncs1 ZINC000157459833 180380188 /nfs/dbraw/zinc/38/01/88/180380188.db2.gz VLIZCIAOGJNFPG-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@H]3CCC[C@@H]32)O1 ZINC000336725940 350483604 /nfs/dbraw/zinc/48/36/04/350483604.db2.gz RXRSODBGXMJDDN-AGIUHOORSA-N 0 1 239.359 2.197 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccoc1C ZINC000358013986 180382909 /nfs/dbraw/zinc/38/29/09/180382909.db2.gz JMWRTKQEFIOZRS-VIFPVBQESA-N 0 1 233.315 2.481 20 0 BEADMN CC[C@](C)(NCc1cnc[nH]1)C(F)(F)F ZINC000380178976 350501663 /nfs/dbraw/zinc/50/16/63/350501663.db2.gz KWNLHXVZFHTTPS-QMMMGPOBSA-N 0 1 221.226 2.230 20 0 BEADMN CC[C@H](NC1CN(C(C)=O)C1)c1ccsc1 ZINC000577507404 365969095 /nfs/dbraw/zinc/96/90/95/365969095.db2.gz ZMFDXQCBXQSTJS-LBPRGKRZSA-N 0 1 238.356 2.020 20 0 BEADMN CC[C@H](N[C@H](C)c1ccc(Cl)s1)C(N)=O ZINC000061676978 350525239 /nfs/dbraw/zinc/52/52/39/350525239.db2.gz ULQSFQKQNZXJFN-RQJHMYQMSA-N 0 1 246.763 2.316 20 0 BEADMN CC[C@H](NC(=O)c1coc(CN)c1)C(C)(C)C ZINC000444121153 191110714 /nfs/dbraw/zinc/11/07/14/191110714.db2.gz JTKFILANCHJTAT-NSHDSACASA-N 0 1 238.331 2.293 20 0 BEADMN Cc1cc(C)c(CN2CCOCC2)c(C)c1 ZINC000064949555 350576464 /nfs/dbraw/zinc/57/64/64/350576464.db2.gz VSWJEHPDVITNME-UHFFFAOYSA-N 0 1 219.328 2.444 20 0 BEADMN CCCC[C@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000337106329 350554441 /nfs/dbraw/zinc/55/44/41/350554441.db2.gz SGWDSPROAKCFEO-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC[C@H](C)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000337106327 350554697 /nfs/dbraw/zinc/55/46/97/350554697.db2.gz SGWDSPROAKCFEO-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@@H](NCc1nc(N(C)C)no1)C(C)(C)C ZINC000337156301 350560686 /nfs/dbraw/zinc/56/06/86/350560686.db2.gz AHAPVYREGDFPEH-SECBINFHSA-N 0 1 240.351 2.050 20 0 BEADMN CCN1CCN(C[C@H](C)CC(C)C)[C@H](C)C1=O ZINC000337206065 350564270 /nfs/dbraw/zinc/56/42/70/350564270.db2.gz LWQHENQPJXVWQT-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H](Nc1nc2cccc(F)c2o1)c1nnc[nH]1 ZINC001639728289 1172130954 /nfs/dbraw/zinc/13/09/54/1172130954.db2.gz DUCLTWNUUIZMSU-ZCFIWIBFSA-N 0 1 247.233 2.258 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)[nH]1 ZINC000355790815 350600388 /nfs/dbraw/zinc/60/03/88/350600388.db2.gz YJRKLOITWQDQRU-MXWKQRLJSA-N 0 1 236.363 2.234 20 0 BEADMN CCC(O)(CC)CNCc1ncc(C)s1 ZINC000394748313 350613947 /nfs/dbraw/zinc/61/39/47/350613947.db2.gz PNJUIRNMHQRWQB-UHFFFAOYSA-N 0 1 228.361 2.092 20 0 BEADMN CC[C@@H](O)CNCc1c(F)ccc(F)c1Cl ZINC000623553400 362974528 /nfs/dbraw/zinc/97/45/28/362974528.db2.gz SQYQDIHDILRYSW-SSDOTTSWSA-N 0 1 249.688 2.479 20 0 BEADMN C[C@H]1CSCCN1Cc1cnc2ccccn12 ZINC000177327410 365993660 /nfs/dbraw/zinc/99/36/60/365993660.db2.gz HYBCZGWRDGLVJE-NSHDSACASA-N 0 1 247.367 2.272 20 0 BEADMN CCCCCN1CCCC[C@H]1C(=O)OC ZINC000096687061 350682261 /nfs/dbraw/zinc/68/22/61/350682261.db2.gz NHVJAFYCMSPCGC-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN CCCCOCc1nc([C@H](N)CC(C)C)no1 ZINC000339366438 350751830 /nfs/dbraw/zinc/75/18/30/350751830.db2.gz NHPLGMJVWJSRBP-SNVBAGLBSA-N 0 1 241.335 2.432 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H]2CCCC[C@@H]2C)[nH]n1 ZINC000176060601 191125527 /nfs/dbraw/zinc/12/55/27/191125527.db2.gz HVBQPMUTFCKPSQ-JQWIXIFHSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@@H](c1cccnc1)N1CC[C@H](OC(F)F)C1 ZINC000577601219 366013323 /nfs/dbraw/zinc/01/33/23/366013323.db2.gz JSHLMNRWHWFFFR-ONGXEEELSA-N 0 1 242.269 2.456 20 0 BEADMN FCCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000306725736 350896340 /nfs/dbraw/zinc/89/63/40/350896340.db2.gz LAUYTDQXSDWSPU-MRVPVSSYSA-N 0 1 214.671 2.281 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)NCC1CCCCC1 ZINC000548098695 323443620 /nfs/dbraw/zinc/44/36/20/323443620.db2.gz XMIOLPSOHMGYPE-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN c1nc(C2CC2)oc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000628321999 351188054 /nfs/dbraw/zinc/18/80/54/351188054.db2.gz SATZJVTURXSAHH-YPMHNXCESA-N 0 1 248.326 2.163 20 0 BEADMN CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398413607 351141672 /nfs/dbraw/zinc/14/16/72/351141672.db2.gz ROALTWSCYWFCSV-WDEREUQCSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@H](c1ccco1)[N@@H+](CCC(=O)[O-])C1CC1 ZINC000083405228 351263895 /nfs/dbraw/zinc/26/38/95/351263895.db2.gz DYOOKQTYVYURGQ-SECBINFHSA-N 0 1 223.272 2.280 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCC[C@@H](C)O2)o1 ZINC000628339197 351282770 /nfs/dbraw/zinc/28/27/70/351282770.db2.gz IACFZULTKMHUGE-KOLCDFICSA-N 0 1 224.304 2.030 20 0 BEADMN CCCC[C@H](CC)CC(=O)NCc1nnc[nH]1 ZINC000265281545 351266674 /nfs/dbraw/zinc/26/66/74/351266674.db2.gz JVIRFZQDAAVVPY-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CCOCCN1CCOc2ccccc2[C@@H]1C ZINC000607357576 351332226 /nfs/dbraw/zinc/33/22/26/351332226.db2.gz QLCVVYWFFZYZDJ-LBPRGKRZSA-N 0 1 235.327 2.479 20 0 BEADMN CCc1nc(CN2CC[C@@H](COC)C2)cs1 ZINC000265855420 351275810 /nfs/dbraw/zinc/27/58/10/351275810.db2.gz ZHEPCBKIVUKWJG-SNVBAGLBSA-N 0 1 240.372 2.174 20 0 BEADMN CC(C)C[C@@H](C)CN(C)[C@@H](C)CS(C)(=O)=O ZINC000337170560 191136258 /nfs/dbraw/zinc/13/62/58/191136258.db2.gz FHHXXUMNPZTIAF-NEPJUHHUSA-N 0 1 249.420 2.034 20 0 BEADMN Clc1cncc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC000278568371 180599339 /nfs/dbraw/zinc/59/93/39/180599339.db2.gz BOAJISPVWFATOO-QMMMGPOBSA-N 0 1 249.705 2.343 20 0 BEADMN CCc1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000273903803 351551709 /nfs/dbraw/zinc/55/17/09/351551709.db2.gz OKIZLFJNCHFLSB-UHFFFAOYSA-N 0 1 242.282 2.408 20 0 BEADMN CC1(C)CCN(Cc2ccc(F)cn2)C1 ZINC000276160613 351611349 /nfs/dbraw/zinc/61/13/49/351611349.db2.gz DDWKOXWTEDOTNE-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H](C(=O)N(Cc1ccccc1)C1CC1)N(C)C ZINC000674244466 487527539 /nfs/dbraw/zinc/52/75/39/487527539.db2.gz FRMPBCOMSJVPCZ-LBPRGKRZSA-N 0 1 246.354 2.128 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)N1CCNC[C@H]1C ZINC000637816339 351655678 /nfs/dbraw/zinc/65/56/78/351655678.db2.gz HIIJMPJJXLPBSY-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)N1CCNC[C@@H]1C ZINC000637816342 351655840 /nfs/dbraw/zinc/65/58/40/351655840.db2.gz HIIJMPJJXLPBSY-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CNc1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000637794668 351620440 /nfs/dbraw/zinc/62/04/40/351620440.db2.gz LVKBEDURDJYBJD-UHFFFAOYSA-N 0 1 244.298 2.116 20 0 BEADMN C[C@H]1CN(Cc2cn3ccsc3n2)C[C@@H]1C ZINC000072872006 351684090 /nfs/dbraw/zinc/68/40/90/351684090.db2.gz WGQQNMGDYNKMAZ-UWVGGRQHSA-N 0 1 235.356 2.484 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CC[C@@H](C)C1 ZINC000577744111 366050670 /nfs/dbraw/zinc/05/06/70/366050670.db2.gz DRPRIJRSDJOZCV-NQBHXWOUSA-N 0 1 249.358 2.235 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1C[C@H](C)[C@H](C)C1 ZINC000072873051 351688846 /nfs/dbraw/zinc/68/88/46/351688846.db2.gz ZKCOGNXLXPGXIK-SCRDCRAPSA-N 0 1 247.338 2.489 20 0 BEADMN C[C@H]1c2cccn2CCN1CCC[C@H]1CCO1 ZINC000637840634 351695531 /nfs/dbraw/zinc/69/55/31/351695531.db2.gz GBYQQENMBUXLTC-STQMWFEESA-N 0 1 234.343 2.434 20 0 BEADMN Cc1cc(CN)oc1C(=O)NCCC(C)(C)C ZINC000637906853 351777214 /nfs/dbraw/zinc/77/72/14/351777214.db2.gz YHZKWCBEBRYUFB-UHFFFAOYSA-N 0 1 238.331 2.213 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1oc(CN)cc1C ZINC000637946261 351821353 /nfs/dbraw/zinc/82/13/53/351821353.db2.gz YPKZQABPMHYHLE-SCZZXKLOSA-N 0 1 238.331 2.211 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1oc(CN)cc1C ZINC000637946262 351821862 /nfs/dbraw/zinc/82/18/62/351821862.db2.gz YPKZQABPMHYHLE-WCBMZHEXSA-N 0 1 238.331 2.211 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000279903294 351828053 /nfs/dbraw/zinc/82/80/53/351828053.db2.gz MTHDCBIQMLRDBI-PWSUYJOCSA-N 0 1 235.331 2.037 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)c1oc(CN)cc1C ZINC000637933157 351810365 /nfs/dbraw/zinc/81/03/65/351810365.db2.gz CMYGAEXPVOAVQY-SNVBAGLBSA-N 0 1 238.331 2.307 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCC2(CCC2)C1 ZINC000577837046 366077276 /nfs/dbraw/zinc/07/72/76/366077276.db2.gz VGEUTBNBWSAITH-UHFFFAOYSA-N 0 1 218.300 2.163 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000280461368 351844875 /nfs/dbraw/zinc/84/48/75/351844875.db2.gz ZUSVYDWXUJWGJT-YPMHNXCESA-N 0 1 249.358 2.427 20 0 BEADMN CCN(Cc1cc(C)ccc1C)[C@@H]1CCNC1=O ZINC000282205280 351926356 /nfs/dbraw/zinc/92/63/56/351926356.db2.gz CXYQJPJHPGVHMA-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN COc1ncc(CN2CCC[C@H]2C)s1 ZINC000638067144 351939602 /nfs/dbraw/zinc/93/96/02/351939602.db2.gz AVXFGNXXOAQSRU-MRVPVSSYSA-N 0 1 212.318 2.136 20 0 BEADMN COC[C@H]1CCCN(Cc2ccns2)C1 ZINC000638068736 351940406 /nfs/dbraw/zinc/94/04/06/351940406.db2.gz XSNOPHURRYPRGZ-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN CCCCN(CCOC)Cc1ccns1 ZINC000638069310 351941576 /nfs/dbraw/zinc/94/15/76/351941576.db2.gz ITAGUUWTXGCFBJ-UHFFFAOYSA-N 0 1 228.361 2.392 20 0 BEADMN CC[C@H](NC(=O)CN1CCC(C)CC1)C1CC1 ZINC000618871220 351944847 /nfs/dbraw/zinc/94/48/47/351944847.db2.gz PNYUWWPXTBXHFO-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](NC(=O)c1ccc2cncn2c1)C1CC1 ZINC000618872081 351971975 /nfs/dbraw/zinc/97/19/75/351971975.db2.gz RRZRAZNKZXGYAG-ZDUSSCGKSA-N 0 1 243.310 2.253 20 0 BEADMN Cc1cc(CN2CCCOC(C)(C)C2)sn1 ZINC000638099362 351979066 /nfs/dbraw/zinc/97/90/66/351979066.db2.gz UJKQGOJSECSNPS-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286446840 352089647 /nfs/dbraw/zinc/08/96/47/352089647.db2.gz RQSGGHDBGQJAKV-IUCAKERBSA-N 0 1 238.335 2.117 20 0 BEADMN CCc1cc(CN[C@H]2CS[C@H](C)C2)on1 ZINC000638276043 352113003 /nfs/dbraw/zinc/11/30/03/352113003.db2.gz WKKIDYOKVBKBEK-PSASIEDQSA-N 0 1 226.345 2.221 20 0 BEADMN COc1cccc(CCNCc2ncc(C)o2)c1 ZINC000638373493 352184405 /nfs/dbraw/zinc/18/44/05/352184405.db2.gz FWILHFCAAHYLKX-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1ccn(C)n1 ZINC000289853628 352200590 /nfs/dbraw/zinc/20/05/90/352200590.db2.gz KVUBINHHKYMUMA-LLVKDONJSA-N 0 1 209.337 2.431 20 0 BEADMN CN1CCC[C@H](NCc2nc3ccccc3o2)C1 ZINC000638410110 352217968 /nfs/dbraw/zinc/21/79/68/352217968.db2.gz VJPPMKOSFIJQFH-NSHDSACASA-N 0 1 245.326 2.012 20 0 BEADMN CC(C)C[C@@H](CO)NCc1cc(C2CC2)no1 ZINC000638411569 352220471 /nfs/dbraw/zinc/22/04/71/352220471.db2.gz JOZJFEQLLNVXHD-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN CC(C)(C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000642269016 363131279 /nfs/dbraw/zinc/13/12/79/363131279.db2.gz JYZZAEWJJRHTQN-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN CCCC[N@@H+](CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411131033 191162292 /nfs/dbraw/zinc/16/22/92/191162292.db2.gz DOWPEOPDLPCHCJ-SECBINFHSA-N 0 1 210.325 2.296 20 0 BEADMN CCCCN(CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411131033 191162295 /nfs/dbraw/zinc/16/22/95/191162295.db2.gz DOWPEOPDLPCHCJ-SECBINFHSA-N 0 1 210.325 2.296 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)[nH]1 ZINC000411149326 191164453 /nfs/dbraw/zinc/16/44/53/191164453.db2.gz QGTCBRLBFUZKKY-KXUCPTDWSA-N 0 1 222.336 2.152 20 0 BEADMN CCN(Cc1c(C)noc1C)C[C@@H](C)OC ZINC000291075994 352259457 /nfs/dbraw/zinc/25/94/57/352259457.db2.gz MNPQSWURUIQYPG-SECBINFHSA-N 0 1 226.320 2.148 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)c1cnc[nH]1 ZINC000290855310 352245270 /nfs/dbraw/zinc/24/52/70/352245270.db2.gz DKSPWQHSACPZKE-VIFPVBQESA-N 0 1 209.293 2.060 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000291895342 352293879 /nfs/dbraw/zinc/29/38/79/352293879.db2.gz KDCLUDWWADUEAI-OLZOCXBDSA-N 0 1 234.343 2.235 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCNC[C@H]1C(C)C ZINC000638490378 352299827 /nfs/dbraw/zinc/29/98/27/352299827.db2.gz WYEPWWYEBNWAFT-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000077373857 352309763 /nfs/dbraw/zinc/30/97/63/352309763.db2.gz PKRQQFSOSWUICW-GFCCVEGCSA-N 0 1 237.274 2.293 20 0 BEADMN CC1(C)CN(Cc2nccc(N)n2)[C@@H]2CCC[C@@H]21 ZINC000292943728 352334289 /nfs/dbraw/zinc/33/42/89/352334289.db2.gz DLDAKMYJTZZTOP-WDEREUQCSA-N 0 1 246.358 2.069 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@H](C(=O)[O-])C1 ZINC000383081268 352363589 /nfs/dbraw/zinc/36/35/89/352363589.db2.gz TULSQJGEICJNJA-SCZZXKLOSA-N 0 1 247.285 2.217 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1cc(C2CC2)no1 ZINC000638581193 352411858 /nfs/dbraw/zinc/41/18/58/352411858.db2.gz LYEMFXQPSXJMNH-ZANVPECISA-N 0 1 238.331 2.049 20 0 BEADMN C[C@H]1CCCC[N@@H+]1Cc1ncccc1[O-] ZINC000001701855 538103432 /nfs/dbraw/zinc/10/34/32/538103432.db2.gz LLEKBGJAURSHLN-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ncccc1[O-] ZINC000001701855 538103435 /nfs/dbraw/zinc/10/34/35/538103435.db2.gz LLEKBGJAURSHLN-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN CCCC[C@H](C)N(C)Cc1nccnc1OC ZINC000296204865 352439462 /nfs/dbraw/zinc/43/94/62/352439462.db2.gz ZJCWFOXYAYBYEJ-NSHDSACASA-N 0 1 237.347 2.496 20 0 BEADMN Cc1cnc(CNCCc2ccc(C)nc2)o1 ZINC000638616855 352457462 /nfs/dbraw/zinc/45/74/62/352457462.db2.gz CFPPMYXSPRKSPD-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)C(N)=O ZINC000037261333 358471896 /nfs/dbraw/zinc/47/18/96/358471896.db2.gz VDAPCEUKGQTMHX-UWVGGRQHSA-N 0 1 246.310 2.266 20 0 BEADMN CCN(Cc1occc1C(=O)OC)C(C)C ZINC000298731372 352511720 /nfs/dbraw/zinc/51/17/20/352511720.db2.gz NFSLVUPIZIVLSX-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN CC(C)OCCCN1CCO[C@H](C2CCC2)C1 ZINC000411871485 191224284 /nfs/dbraw/zinc/22/42/84/191224284.db2.gz HQZYLXQQBSUBQE-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN CCSCCN1CCO[C@@H](C2CCC2)C1 ZINC000411875731 191225662 /nfs/dbraw/zinc/22/56/62/191225662.db2.gz PFZRRGWPCVLHBM-GFCCVEGCSA-N 0 1 229.389 2.240 20 0 BEADMN CC(C)=CCN1CCO[C@H](C2CCC2)C1 ZINC000411878123 191225973 /nfs/dbraw/zinc/22/59/73/191225973.db2.gz RYRYPNRZKASNPZ-ZDUSSCGKSA-N 0 1 209.333 2.454 20 0 BEADMN CC[C@H](NCc1cn[nH]c1)c1c(C)nn(C)c1C ZINC000608067161 352663139 /nfs/dbraw/zinc/66/31/39/352663139.db2.gz KRIWWQIZHSPHRQ-LBPRGKRZSA-N 0 1 247.346 2.001 20 0 BEADMN C[C@H](C[N@H+]1CCO[C@@H](CF)C1)c1ccccc1 ZINC000411860039 191223157 /nfs/dbraw/zinc/22/31/57/191223157.db2.gz PLZDYZFOKKBHFC-OCCSQVGLSA-N 0 1 237.318 2.460 20 0 BEADMN C[C@H](CN1CCO[C@@H](CF)C1)c1ccccc1 ZINC000411860039 191223159 /nfs/dbraw/zinc/22/31/59/191223159.db2.gz PLZDYZFOKKBHFC-OCCSQVGLSA-N 0 1 237.318 2.460 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1cscn1)C1CC1 ZINC000411961220 191234919 /nfs/dbraw/zinc/23/49/19/191234919.db2.gz ZRBBNRPHBKORDQ-BXKDBHETSA-N 0 1 240.372 2.436 20 0 BEADMN CC1(C)CCN(CC(=O)NCC2CCC2)CC1 ZINC000341199159 352697786 /nfs/dbraw/zinc/69/77/86/352697786.db2.gz XFRFDCIABPDNTI-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@](C)([C@H](C)NCc1nccs1)C1CC1 ZINC000411969890 191236259 /nfs/dbraw/zinc/23/62/59/191236259.db2.gz MKLNNASIMMJZAE-JOYOIKCWSA-N 0 1 240.372 2.436 20 0 BEADMN CC[C@H](C)[C@@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762724 352700568 /nfs/dbraw/zinc/70/05/68/352700568.db2.gz YUUXQKXKEOTFAQ-TVQRCGJNSA-N 0 1 248.330 2.431 20 0 BEADMN CC[C@H](C)[C@@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762724 352700571 /nfs/dbraw/zinc/70/05/71/352700571.db2.gz YUUXQKXKEOTFAQ-TVQRCGJNSA-N 0 1 248.330 2.431 20 0 BEADMN C[C@H](CCCO)NCc1nc2ccccc2o1 ZINC000638766476 352703208 /nfs/dbraw/zinc/70/32/08/352703208.db2.gz YJFRFFIZIAJWJA-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN COC1([C@@H](C)NCc2cc(C)no2)CCC1 ZINC000412022132 191237796 /nfs/dbraw/zinc/23/77/96/191237796.db2.gz QSRNEQUMTOXGSQ-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000638745504 352680429 /nfs/dbraw/zinc/68/04/29/352680429.db2.gz XWEVNRYQTYMTOX-QJPTWQEYSA-N 0 1 236.315 2.030 20 0 BEADMN CC[C@@H](N[C@H]1CSC1(C)C)c1ccn(C)n1 ZINC000336744164 352681312 /nfs/dbraw/zinc/68/13/12/352681312.db2.gz UQHFHIYGHNNSSK-KOLCDFICSA-N 0 1 239.388 2.355 20 0 BEADMN CO[C@](C)([C@H](C)NCc1cc(C)on1)C1CC1 ZINC000411949709 191231964 /nfs/dbraw/zinc/23/19/64/191231964.db2.gz ONBGGPCPUAUHJX-GXFFZTMASA-N 0 1 238.331 2.276 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341773173 352723713 /nfs/dbraw/zinc/72/37/13/352723713.db2.gz PMBMMLZIZRFXPW-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@](C)(CNCc1ncccc1F)OC ZINC000638778855 352728307 /nfs/dbraw/zinc/72/83/07/352728307.db2.gz HSMCYHHYIYREEL-LBPRGKRZSA-N 0 1 226.295 2.125 20 0 BEADMN CCN(Cc1nnc2n1CCCC2)C1CCCC1 ZINC000342003826 352735789 /nfs/dbraw/zinc/73/57/89/352735789.db2.gz XVSBVKDAYJJLBH-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN CCc1nc(CN(CC)C2CC(C)(C)C2)n[nH]1 ZINC000412036524 191247722 /nfs/dbraw/zinc/24/77/22/191247722.db2.gz MORFSWJIGWLEGU-UHFFFAOYSA-N 0 1 236.363 2.378 20 0 BEADMN CC[C@H]1CCCN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000334178585 352765539 /nfs/dbraw/zinc/76/55/39/352765539.db2.gz AZEZZIBTXSSBKS-JTQLQIEISA-N 0 1 233.315 2.302 20 0 BEADMN NCc1cc(C(=O)NC[C@H]2CCCC23CC3)co1 ZINC000638794200 352829671 /nfs/dbraw/zinc/82/96/71/352829671.db2.gz BJHRORXJANEVHI-LLVKDONJSA-N 0 1 248.326 2.048 20 0 BEADMN C[C@H](NCC[C@@H]1CCCCO1)c1csnn1 ZINC000412044297 191248829 /nfs/dbraw/zinc/24/88/29/191248829.db2.gz QRCMUVIOQAILRD-UWVGGRQHSA-N 0 1 241.360 2.148 20 0 BEADMN C[C@@H](NCC[C@H]1CCCCO1)c1csnn1 ZINC000412044296 191248958 /nfs/dbraw/zinc/24/89/58/191248958.db2.gz QRCMUVIOQAILRD-NXEZZACHSA-N 0 1 241.360 2.148 20 0 BEADMN CCN1C[C@H](C)N(Cc2nccs2)C[C@H]1C ZINC000334220036 352822115 /nfs/dbraw/zinc/82/21/15/352822115.db2.gz UZDPZKIJZVBQJM-MNOVXSKESA-N 0 1 239.388 2.058 20 0 BEADMN Cn1c(CN2CC[C@H]3CCC[C@@H]32)nnc1C1CC1 ZINC000334240642 352827962 /nfs/dbraw/zinc/82/79/62/352827962.db2.gz MHRDWTDQNGMOHY-PWSUYJOCSA-N 0 1 246.358 2.067 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000334194649 352786617 /nfs/dbraw/zinc/78/66/17/352786617.db2.gz JZXBKOVJRLOXSM-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cccc(Cc2nc(C3(N)CCC3)no2)c1 ZINC000334208948 352805471 /nfs/dbraw/zinc/80/54/71/352805471.db2.gz XOCFDAIWKOANSG-UHFFFAOYSA-N 0 1 243.310 2.307 20 0 BEADMN COc1ccc(C)cc1C[N@@H+]1CCCN(C)CC1 ZINC000334211939 352809196 /nfs/dbraw/zinc/80/91/96/352809196.db2.gz HPXFBHPHZBHJSW-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2(C)CCC2)C[C@@H]1C ZINC000334236419 352854690 /nfs/dbraw/zinc/85/46/90/352854690.db2.gz LETWDPJWTDUHON-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCO[C@@H]([C@H](C)O)C1 ZINC000412087173 191255180 /nfs/dbraw/zinc/25/51/80/191255180.db2.gz NWFMWBATNPGCSB-KCQAQPDRSA-N 0 1 249.354 2.138 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@@H]([C@H](C)O)C1 ZINC000412085409 191255630 /nfs/dbraw/zinc/25/56/30/191255630.db2.gz NAGSJDDPJBAFCC-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CSC[C@H]1CCCN1Cc1ncc(C)n1C ZINC000342809826 352861026 /nfs/dbraw/zinc/86/10/26/352861026.db2.gz USIDDQGMXGNRJX-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN c1ccn(CCN=c2nc[nH]c3ccsc32)c1 ZINC000342817221 352863729 /nfs/dbraw/zinc/86/37/29/352863729.db2.gz NKXTUNCTWFUEJZ-UHFFFAOYSA-N 0 1 244.323 2.027 20 0 BEADMN C[C@H](O)[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000412091223 191257261 /nfs/dbraw/zinc/25/72/61/191257261.db2.gz PUOOZZWBRBFPQA-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000334259687 352871190 /nfs/dbraw/zinc/87/11/90/352871190.db2.gz UVFYBXXVCRMDML-QWHCGFSZSA-N 0 1 246.354 2.128 20 0 BEADMN CC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000334259687 352871192 /nfs/dbraw/zinc/87/11/92/352871192.db2.gz UVFYBXXVCRMDML-QWHCGFSZSA-N 0 1 246.354 2.128 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000334246252 352837167 /nfs/dbraw/zinc/83/71/67/352837167.db2.gz SVPXKGRPFGVDNL-ZWNOBZJWSA-N 0 1 247.342 2.087 20 0 BEADMN CC1=C[C@H](C)CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000334246751 352837897 /nfs/dbraw/zinc/83/78/97/352837897.db2.gz ITSONMWLBRJYHE-VIFPVBQESA-N 0 1 232.331 2.080 20 0 BEADMN Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cnn1C ZINC000334270618 352907174 /nfs/dbraw/zinc/90/71/74/352907174.db2.gz SMFFRARXYBPVQQ-MNOVXSKESA-N 0 1 221.348 2.206 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(Cl)o2)C[C@@H]1O ZINC000334293389 352930638 /nfs/dbraw/zinc/93/06/38/352930638.db2.gz QBORJAHUKRKUHL-SCZZXKLOSA-N 0 1 229.707 2.136 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CC[C@H](C)C2)n1C ZINC000342866113 352882496 /nfs/dbraw/zinc/88/24/96/352882496.db2.gz ZAXLELNMSHSSDM-CMPLNLGQSA-N 0 1 221.348 2.349 20 0 BEADMN CCc1nnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1 ZINC000334253418 352890370 /nfs/dbraw/zinc/89/03/70/352890370.db2.gz XCGOSYAESQNNTI-QWRGUYRKSA-N 0 1 248.374 2.378 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@H]2CCC[C@@H]21 ZINC000334264513 352898948 /nfs/dbraw/zinc/89/89/48/352898948.db2.gz LFIYXNJBLSGZPI-KOLCDFICSA-N 0 1 233.315 2.321 20 0 BEADMN Cc1[nH+]ccc(N2CC[N@@H+](C)C[C@H]2C)c1Cl ZINC000334336181 352971731 /nfs/dbraw/zinc/97/17/31/352971731.db2.gz RWEHMOKWKWBSEF-SECBINFHSA-N 0 1 239.750 2.184 20 0 BEADMN C[C@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@@H]1C ZINC000334302680 352938374 /nfs/dbraw/zinc/93/83/74/352938374.db2.gz FGVRKQYPUGIOAI-QWRGUYRKSA-N 0 1 248.374 2.170 20 0 BEADMN Cc1nnc(CN2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000334315599 352946747 /nfs/dbraw/zinc/94/67/47/352946747.db2.gz NWBLXZUHQUVMNJ-GXFFZTMASA-N 0 1 235.331 2.390 20 0 BEADMN Cc1ncc(C[N@H+]2C[C@@H](C)C[C@H]2C)cn1 ZINC000334327017 352963013 /nfs/dbraw/zinc/96/30/13/352963013.db2.gz HDGDHMHACZWBNX-VHSXEESVSA-N 0 1 205.305 2.015 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C)C2)o1 ZINC000334327548 352964239 /nfs/dbraw/zinc/96/42/39/352964239.db2.gz LXVRZDZENDRMNU-IUCAKERBSA-N 0 1 209.293 2.035 20 0 BEADMN C[C@@H]1COCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000334365344 353019238 /nfs/dbraw/zinc/01/92/38/353019238.db2.gz HSKBGXSPXFRIDL-MFKMUULPSA-N 0 1 232.327 2.407 20 0 BEADMN CC1=C(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CCC1 ZINC000334375872 353031954 /nfs/dbraw/zinc/03/19/54/353031954.db2.gz DLSXDKHDJPVNTL-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@@](C)(NC(=O)c1ccc(CN)o1)C1CC1 ZINC000638858423 353035159 /nfs/dbraw/zinc/03/51/59/353035159.db2.gz PKNGIEYFQMEOSO-CYBMUJFWSA-N 0 1 236.315 2.047 20 0 BEADMN N[C@H](C(=O)N[C@@H]1CCCC12CC2)c1ccccc1 ZINC000638830070 353008608 /nfs/dbraw/zinc/00/86/08/353008608.db2.gz BAPDDNLVSGHFMU-OLZOCXBDSA-N 0 1 244.338 2.135 20 0 BEADMN CCN1C[C@@H](C)N(Cc2cncs2)C[C@@H]1C ZINC000334396497 353069415 /nfs/dbraw/zinc/06/94/15/353069415.db2.gz CBLAJBNWFFOMPW-WDEREUQCSA-N 0 1 239.388 2.058 20 0 BEADMN CCC(C)(C)CCNC(=O)c1cnccc1N ZINC000638864804 353038381 /nfs/dbraw/zinc/03/83/81/353038381.db2.gz BCANNTJFPAPKHP-UHFFFAOYSA-N 0 1 235.331 2.050 20 0 BEADMN Cn1ccnc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000334429440 353103927 /nfs/dbraw/zinc/10/39/27/353103927.db2.gz UFPIYQPIBLAVMI-GFCCVEGCSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CCC[C@@H](C2CC2)C1 ZINC000334429440 353103928 /nfs/dbraw/zinc/10/39/28/353103928.db2.gz UFPIYQPIBLAVMI-GFCCVEGCSA-N 0 1 219.332 2.042 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2conc2C)CC1 ZINC000334425337 353104039 /nfs/dbraw/zinc/10/40/39/353104039.db2.gz UOPMLSAWMJEPTO-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CCCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353267371 188060650 /nfs/dbraw/zinc/06/06/50/188060650.db2.gz MOACDPCRYMMKGS-SECBINFHSA-N 0 1 207.264 2.143 20 0 BEADMN CCCCN1CCOC[C@H]1CC(F)F ZINC000353267371 188060652 /nfs/dbraw/zinc/06/06/52/188060652.db2.gz MOACDPCRYMMKGS-SECBINFHSA-N 0 1 207.264 2.143 20 0 BEADMN CCC[C@@](C)(O)CNCc1ncc(Cl)s1 ZINC000225345257 363204927 /nfs/dbraw/zinc/20/49/27/363204927.db2.gz ACYNEDFHVAZZTD-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000360945187 188070277 /nfs/dbraw/zinc/07/02/77/188070277.db2.gz QMRHIEABHJUCNC-XQQFMLRXSA-N 0 1 240.391 2.220 20 0 BEADMN c1ccc(CCCCN2CCO[C@H]3C[C@H]32)cc1 ZINC000377402896 188078554 /nfs/dbraw/zinc/07/85/54/188078554.db2.gz RQUVNQDSRDOYKS-CABCVRRESA-N 0 1 231.339 2.482 20 0 BEADMN CC(C)(CCNCc1csnn1)C1CC1 ZINC000328472277 188083162 /nfs/dbraw/zinc/08/31/62/188083162.db2.gz HFFZNTNQSOBJAL-UHFFFAOYSA-N 0 1 225.361 2.454 20 0 BEADMN Cc1csc(CNCc2ccnn2C)c1 ZINC000344605523 188085314 /nfs/dbraw/zinc/08/53/14/188085314.db2.gz CQPOHCRFAVNQNM-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2cscn2)CCO1 ZINC000069891455 188131003 /nfs/dbraw/zinc/13/10/03/188131003.db2.gz JGZOVWAANYXJGI-PWSUYJOCSA-N 0 1 240.372 2.436 20 0 BEADMN Cc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC000075841453 188132997 /nfs/dbraw/zinc/13/29/97/188132997.db2.gz NGKMSELEJXMMQY-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN Cc1cc(CC(=O)NCCC2=CCCCC2)[nH]n1 ZINC000151439876 188156760 /nfs/dbraw/zinc/15/67/60/188156760.db2.gz XITKKXRLHUUVBL-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN COC[C@H](C)CNC1(C(F)F)CCCC1 ZINC000380167473 538111662 /nfs/dbraw/zinc/11/16/62/538111662.db2.gz FKZLWGAAWQTXBC-SECBINFHSA-N 0 1 221.291 2.436 20 0 BEADMN CCCc1csc(CNC(C)(C)[C@@H](C)O)n1 ZINC000309410791 188168721 /nfs/dbraw/zinc/16/87/21/188168721.db2.gz BUCUJBJJXJZQJK-SECBINFHSA-N 0 1 242.388 2.345 20 0 BEADMN CCC[C@H](CC)NC(=O)c1coc(CN)c1 ZINC000187555440 188171166 /nfs/dbraw/zinc/17/11/66/188171166.db2.gz ZBWDUMMRWSUAGR-JTQLQIEISA-N 0 1 224.304 2.047 20 0 BEADMN CC(C)C1(C)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000190348765 188172386 /nfs/dbraw/zinc/17/23/86/188172386.db2.gz MIFSWYWNBJCKQO-UHFFFAOYSA-N 0 1 235.331 2.308 20 0 BEADMN CC(C)C[C@H](C)CN1CCN(C(C)C)C(=O)C1 ZINC000337206792 188185527 /nfs/dbraw/zinc/18/55/27/188185527.db2.gz NFLWBOZIPNIOBL-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CCCOC2)n1 ZINC000339395179 188191598 /nfs/dbraw/zinc/19/15/98/188191598.db2.gz KWIRQACCQSYUAY-NXEZZACHSA-N 0 1 239.319 2.010 20 0 BEADMN CC(=O)c1ccc(CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000295989084 188214430 /nfs/dbraw/zinc/21/44/30/188214430.db2.gz LUVQSIORPJOUCL-AWEZNQCLSA-N 0 1 247.338 2.092 20 0 BEADMN Cc1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000047510681 188218506 /nfs/dbraw/zinc/21/85/06/188218506.db2.gz NJUGLVUMAHIRDN-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@H](C(N)=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000331339564 188220473 /nfs/dbraw/zinc/22/04/73/188220473.db2.gz MJZFBDMAFTVXRX-MRVPVSSYSA-N 0 1 238.335 2.063 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284582257 188207043 /nfs/dbraw/zinc/20/70/43/188207043.db2.gz SABORTYIMCKGLL-JTQLQIEISA-N 0 1 231.299 2.109 20 0 BEADMN CCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250044311 353267568 /nfs/dbraw/zinc/26/75/68/353267568.db2.gz UZDHXANCFBAERG-MXWKQRLJSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCO[C@H](C)C2)o1 ZINC000639038022 353310676 /nfs/dbraw/zinc/31/06/76/353310676.db2.gz JTZJCAIMLUFIKJ-ZYHUDNBSSA-N 0 1 238.331 2.278 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCO[C@H]2CCC[C@H]21 ZINC000366807665 353361018 /nfs/dbraw/zinc/36/10/18/353361018.db2.gz YQNRAZYPRDHYFY-MCIONIFRSA-N 0 1 241.375 2.037 20 0 BEADMN C/C=C/C[C@H](CO)NCc1nc2ccccc2o1 ZINC000639056496 353361589 /nfs/dbraw/zinc/36/15/89/353361589.db2.gz NOTMIQUUONKYNI-KXMPLOMGSA-N 0 1 246.310 2.245 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000639049799 353344814 /nfs/dbraw/zinc/34/48/14/353344814.db2.gz BBCAUTVKSTZFGX-NEPJUHHUSA-N 0 1 236.315 2.030 20 0 BEADMN CCCn1c(C)nnc1CN(C)[C@H](C)C(C)C ZINC000343288520 353366867 /nfs/dbraw/zinc/36/68/67/353366867.db2.gz WMGDGZQZFKPTLR-LLVKDONJSA-N 0 1 238.379 2.473 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cncn3c2)C1 ZINC000334508575 353382666 /nfs/dbraw/zinc/38/26/66/353382666.db2.gz WZYBKVKZOYAINO-GHMZBOCLSA-N 0 1 243.310 2.205 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)C[C@H]2C)n1 ZINC000334508554 353384969 /nfs/dbraw/zinc/38/49/69/353384969.db2.gz QDQZETAYSDZPDN-MWLCHTKSSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@@H]2C)nc1 ZINC000334508613 353385301 /nfs/dbraw/zinc/38/53/01/353385301.db2.gz URUFFBHVKFMKOR-KOLCDFICSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000226602308 538117129 /nfs/dbraw/zinc/11/71/29/538117129.db2.gz SUGIKJOOABDKLU-IVZWLZJFSA-N 0 1 240.372 2.262 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c(F)c1 ZINC000639089242 353447674 /nfs/dbraw/zinc/44/76/74/353447674.db2.gz DTCIEGCOJVIHPV-SMDDNHRTSA-N 0 1 237.318 2.337 20 0 BEADMN CN(Cc1cnc(C2CC2)s1)CC(C)(C)O ZINC000093414729 353490683 /nfs/dbraw/zinc/49/06/83/353490683.db2.gz NJOLMHSGWMDLFP-UHFFFAOYSA-N 0 1 240.372 2.223 20 0 BEADMN CC1(C)CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000061821049 353541019 /nfs/dbraw/zinc/54/10/19/353541019.db2.gz KUUQOKQLGAULHP-ZDUSSCGKSA-N 0 1 246.354 2.335 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1ccc(C)cc1 ZINC000135845137 353587925 /nfs/dbraw/zinc/58/79/25/353587925.db2.gz DUTOTVVKVXGLFW-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN CCc1nc(SCc2cnc(C)s2)n[nH]1 ZINC000193451634 353593732 /nfs/dbraw/zinc/59/37/32/353593732.db2.gz ZNOIPVNDQSMYQP-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1n[nH]c(SCc2cnc(C)s2)n1 ZINC000193451634 353593736 /nfs/dbraw/zinc/59/37/36/353593736.db2.gz ZNOIPVNDQSMYQP-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CC1(NC(=O)CCc2cnc[nH]2)CCCCC1 ZINC000192840387 353570880 /nfs/dbraw/zinc/57/08/80/353570880.db2.gz ZXQYKWXDBXKDSP-UHFFFAOYSA-N 0 1 235.331 2.181 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000194172708 353626551 /nfs/dbraw/zinc/62/65/51/353626551.db2.gz KTUJITYCKBRKLA-IUCAKERBSA-N 0 1 246.314 2.122 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000577874706 366093753 /nfs/dbraw/zinc/09/37/53/366093753.db2.gz UEKVKSVPPXLKLB-MNOVXSKESA-N 0 1 233.315 2.020 20 0 BEADMN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccoc1 ZINC000178183622 366103656 /nfs/dbraw/zinc/10/36/56/366103656.db2.gz XKOJOFTUTXKZSC-SNVBAGLBSA-N 0 1 244.294 2.229 20 0 BEADMN CC(=O)c1cc(CN(CC2CC2)CC2CC2)on1 ZINC000580341550 353752907 /nfs/dbraw/zinc/75/29/07/353752907.db2.gz DVFSATCYQDHMHB-UHFFFAOYSA-N 0 1 248.326 2.499 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1ccc2oc(=O)n(C)c2c1 ZINC000639120145 353767307 /nfs/dbraw/zinc/76/73/07/353767307.db2.gz FWNCSPUGXKAHQP-UWVGGRQHSA-N 0 1 246.310 2.114 20 0 BEADMN C[N@@H+](Cc1cccs1)CC1(CC(=O)[O-])CC1 ZINC000083854686 353800165 /nfs/dbraw/zinc/80/01/65/353800165.db2.gz IPQYBYDOYAUTOP-UHFFFAOYSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1ncc([C@@H](C)N2CC(C)C2)c(C)n1 ZINC000639124740 353811098 /nfs/dbraw/zinc/81/10/98/353811098.db2.gz VCFSNEWVAHPTPS-SNVBAGLBSA-N 0 1 205.305 2.106 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cncc(F)c2)n1C ZINC000580346846 353811146 /nfs/dbraw/zinc/81/11/46/353811146.db2.gz BCGAHRVJNCRBRT-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN Fc1cnc(Cl)c(CN[C@@H]2CCSC2)c1 ZINC000295174938 181016712 /nfs/dbraw/zinc/01/67/12/181016712.db2.gz UVNMXNRUXVKJGP-SECBINFHSA-N 0 1 246.738 2.469 20 0 BEADMN CC[N@@H+](CC(C)C)CC1(CC(=O)[O-])CC1 ZINC000083854665 353795616 /nfs/dbraw/zinc/79/56/16/353795616.db2.gz STSZRGUHBJKPSX-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC1(C)C[S@@](=O)CCN1CC1CCCC1 ZINC000334521312 353885930 /nfs/dbraw/zinc/88/59/30/353885930.db2.gz GIFWJLQAORMLQF-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)ns2)CCCO1 ZINC000639134798 353844050 /nfs/dbraw/zinc/84/40/50/353844050.db2.gz FVFSZZAPLBTHLC-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CO[C@@H]1CCN(Cc2ccns2)[C@@H](C)C1 ZINC000639136533 353846483 /nfs/dbraw/zinc/84/64/83/353846483.db2.gz NNONHKNACBPHTF-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN c1cc(CN2CCC[C@@H]2[C@H]2CCCO2)sn1 ZINC000639146005 353851419 /nfs/dbraw/zinc/85/14/19/353851419.db2.gz ANBQADUYBRRLJE-VXGBXAGGSA-N 0 1 238.356 2.287 20 0 BEADMN c1cc(CN2CCC[C@H]2[C@H]2CCCO2)sn1 ZINC000639146003 353851450 /nfs/dbraw/zinc/85/14/50/353851450.db2.gz ANBQADUYBRRLJE-NWDGAFQWSA-N 0 1 238.356 2.287 20 0 BEADMN CC(=O)c1ccc(N[C@@H]2CCCN(C)[C@H]2C)nc1 ZINC000343500856 353914706 /nfs/dbraw/zinc/91/47/06/353914706.db2.gz FTZJINYGFVQDCP-GXFFZTMASA-N 0 1 247.342 2.179 20 0 BEADMN COC[C@@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343564403 353936016 /nfs/dbraw/zinc/93/60/16/353936016.db2.gz HHEPMLXFHGJLHR-LLVKDONJSA-N 0 1 239.363 2.239 20 0 BEADMN CN(CC[C@@H]1CCCO1)Cc1cncs1 ZINC000343478539 353903130 /nfs/dbraw/zinc/90/31/30/353903130.db2.gz XTXUMTSDLYWKFB-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN(C)CCCO)o1 ZINC000053427100 363284452 /nfs/dbraw/zinc/28/44/52/363284452.db2.gz BXQBRNYWNHEKOF-ZYHUDNBSSA-N 0 1 223.316 2.217 20 0 BEADMN C[C@H]1CN(CCc2cncs2)CC(C)(C)O1 ZINC000334548114 353987222 /nfs/dbraw/zinc/98/72/22/353987222.db2.gz NXUUYOGCIRYPHD-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN CC(C)C1CCN(Cc2cnccn2)CC1 ZINC000334548512 353987584 /nfs/dbraw/zinc/98/75/84/353987584.db2.gz YKTOTNBWYMFJTC-UHFFFAOYSA-N 0 1 219.332 2.345 20 0 BEADMN c1cnc(CN2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000334549187 353989342 /nfs/dbraw/zinc/98/93/42/353989342.db2.gz AAAKSHJZKFHVLL-STQMWFEESA-N 0 1 249.383 2.337 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343645807 353952824 /nfs/dbraw/zinc/95/28/24/353952824.db2.gz IEQYCQIWRXVQNZ-QMMMGPOBSA-N 0 1 233.315 2.158 20 0 BEADMN CCn1nncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000334555151 353999949 /nfs/dbraw/zinc/99/99/49/353999949.db2.gz BLFBLGJHHLMRGI-YPMHNXCESA-N 0 1 234.347 2.063 20 0 BEADMN CC(C)ONC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000529447080 324301204 /nfs/dbraw/zinc/30/12/04/324301204.db2.gz XSYBRBNZFRLCCW-SECBINFHSA-N 0 1 229.320 2.036 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C(C)C)C2)[nH]1 ZINC000334556851 354003035 /nfs/dbraw/zinc/00/30/35/354003035.db2.gz WPLJIUWUIUNZLP-ONGXEEELSA-N 0 1 222.336 2.152 20 0 BEADMN CC[C@@]1(C)CCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000334557190 354003597 /nfs/dbraw/zinc/00/35/97/354003597.db2.gz LNNKLUJSKGHLLY-SKDRFNHKSA-N 0 1 222.336 2.296 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(C(F)F)nc1 ZINC000639165041 354010452 /nfs/dbraw/zinc/01/04/52/354010452.db2.gz BALCSLPJKFHXEZ-SECBINFHSA-N 0 1 244.285 2.486 20 0 BEADMN CCN(CC(=O)N1CC[C@@](C)(CC)C1)C1CC1 ZINC000343825953 354015846 /nfs/dbraw/zinc/01/58/46/354015846.db2.gz IMGNDURVJBOHPA-CQSZACIVSA-N 0 1 238.375 2.119 20 0 BEADMN CCCc1cccc(CNCC(=O)NC2CC2)c1 ZINC000274739659 188557459 /nfs/dbraw/zinc/55/74/59/188557459.db2.gz CMEWMRURZQLZOU-UHFFFAOYSA-N 0 1 246.354 2.007 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000343969259 354076931 /nfs/dbraw/zinc/07/69/31/354076931.db2.gz VDSAWWIDKARXAM-MWLCHTKSSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H](NC1CC2(CCC2)C1)c1nnc2n1CCC2 ZINC000334564357 354082676 /nfs/dbraw/zinc/08/26/76/354082676.db2.gz YJMMPYZKCYCJPG-SNVBAGLBSA-N 0 1 246.358 2.208 20 0 BEADMN C[C@H](NC1CC2(CCC2)C1)c1nnc2n1CCC2 ZINC000334564354 354082857 /nfs/dbraw/zinc/08/28/57/354082857.db2.gz YJMMPYZKCYCJPG-JTQLQIEISA-N 0 1 246.358 2.208 20 0 BEADMN CCn1nncc1CN1C[C@H](C)CC(C)(C)C1 ZINC000334565839 354086155 /nfs/dbraw/zinc/08/61/55/354086155.db2.gz YOAYLVKLUPLBRZ-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN C=Cn1cc(CN2C[C@@H](C)S[C@H](C)C2)cn1 ZINC000334570227 354096703 /nfs/dbraw/zinc/09/67/03/354096703.db2.gz IOPVWBSDYRDVJX-GHMZBOCLSA-N 0 1 237.372 2.309 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@H]1CC=CCC1 ZINC000344033907 354097829 /nfs/dbraw/zinc/09/78/29/354097829.db2.gz GCGQFAGUYCDEQW-LBPRGKRZSA-N 0 1 219.332 2.208 20 0 BEADMN CCOC(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344039091 354101605 /nfs/dbraw/zinc/10/16/05/354101605.db2.gz SXLLYMWJHNCHFC-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CCc1nnc(CN(CC)C(CC)CC)[nH]1 ZINC000344036282 354101722 /nfs/dbraw/zinc/10/17/22/354101722.db2.gz SLRYJCUNYHDVDO-UHFFFAOYSA-N 0 1 224.352 2.378 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1C(=O)CN(CC)C1CC1 ZINC000344038241 354103259 /nfs/dbraw/zinc/10/32/59/354103259.db2.gz REOLQLBYCLBYOB-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc([C@@H](C)N2CCc3sccc3C2)n[nH]1 ZINC000334560692 354113068 /nfs/dbraw/zinc/11/30/68/354113068.db2.gz PPTKHFZLGKZLOD-MRVPVSSYSA-N 0 1 248.355 2.294 20 0 BEADMN CCC(CC)N(CC)Cc1ncnn1CC ZINC000344044969 354115478 /nfs/dbraw/zinc/11/54/78/354115478.db2.gz XWBCEOPYQDCHLC-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN CCN(C)[C@H](C(=O)N1CC(C)C1)c1ccccc1 ZINC000344213898 354166120 /nfs/dbraw/zinc/16/61/20/354166120.db2.gz FTSDFTOHVXSZRU-AWEZNQCLSA-N 0 1 246.354 2.158 20 0 BEADMN CC(C)(C)[C@@H](CCO)NCc1cscn1 ZINC000230891949 363327479 /nfs/dbraw/zinc/32/74/79/363327479.db2.gz JDNCVVWZDHZUHC-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN OCCC1(CNCc2ncc(Cl)s2)CC1 ZINC000230945874 363330819 /nfs/dbraw/zinc/33/08/19/363330819.db2.gz JIXNVFCDZBJIQD-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cc(C)ns2)C1 ZINC000639172441 354164893 /nfs/dbraw/zinc/16/48/93/354164893.db2.gz NLDXZQUMUZDONT-AOOOYVTPSA-N 0 1 226.345 2.061 20 0 BEADMN COc1cccnc1CN[C@@H]1CCCSC1 ZINC000449744954 202018941 /nfs/dbraw/zinc/01/89/41/202018941.db2.gz AQRWXYFCWXNYLR-SNVBAGLBSA-N 0 1 238.356 2.075 20 0 BEADMN Cc1ncc([C@@H](C)N(C)[C@H]2CCCOC2)c(C)n1 ZINC000639175568 354197222 /nfs/dbraw/zinc/19/72/22/354197222.db2.gz YWWVDNLOEVBOGI-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN COc1cccnc1CN[C@H]1CCCSC1 ZINC000449744953 202018532 /nfs/dbraw/zinc/01/85/32/202018532.db2.gz AQRWXYFCWXNYLR-JTQLQIEISA-N 0 1 238.356 2.075 20 0 BEADMN CO[C@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000231678307 363347433 /nfs/dbraw/zinc/34/74/33/363347433.db2.gz OTLNTUORHRGZDH-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC2CC2)[C@@H](C)C1 ZINC000344426860 354253633 /nfs/dbraw/zinc/25/36/33/354253633.db2.gz QFGVJHYBEBBUAB-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000334593990 354225657 /nfs/dbraw/zinc/22/56/57/354225657.db2.gz LEWUVTGBBBJPDQ-UHFFFAOYSA-N 0 1 235.262 2.246 20 0 BEADMN Cc1nccc(N2CCn3cncc3C2)c1Cl ZINC000334595664 354228590 /nfs/dbraw/zinc/22/85/90/354228590.db2.gz OZXDGROUVHWIIK-UHFFFAOYSA-N 0 1 248.717 2.260 20 0 BEADMN Cc1c[nH]nc1CN1CC(C)=C[C@@H](C)C1 ZINC000334599661 354235182 /nfs/dbraw/zinc/23/51/82/354235182.db2.gz QXFDFQBZYNRKJB-SECBINFHSA-N 0 1 205.305 2.116 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)c1cnc[nH]1 ZINC000334615163 354301137 /nfs/dbraw/zinc/30/11/37/354301137.db2.gz HNGRZLOEPLNBLE-SNVBAGLBSA-N 0 1 221.304 2.205 20 0 BEADMN CCCOCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344480580 354269697 /nfs/dbraw/zinc/26/96/97/354269697.db2.gz GNUQRALSTRESKQ-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CCCC[C@H](COC)NCc1nccn1CC ZINC000344442751 354274447 /nfs/dbraw/zinc/27/44/47/354274447.db2.gz RSCKUJNILDNLJX-GFCCVEGCSA-N 0 1 239.363 2.198 20 0 BEADMN CC[C@H](NCc1c[nH]nc1C)c1ccncc1 ZINC000344548395 354314892 /nfs/dbraw/zinc/31/48/92/354314892.db2.gz IPVDQOGCVOCHSQ-ZDUSSCGKSA-N 0 1 230.315 2.354 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334632764 354376307 /nfs/dbraw/zinc/37/63/07/354376307.db2.gz SNKZSPDCHCDUSB-BDAKNGLRSA-N 0 1 233.315 2.158 20 0 BEADMN c1ccc2oc(CN[C@@H]3CCCOC3)nc2c1 ZINC000639185586 354380754 /nfs/dbraw/zinc/38/07/54/354380754.db2.gz PEQGVSHDKLOTLS-SNVBAGLBSA-N 0 1 232.283 2.096 20 0 BEADMN Cn1c2ccccc2nc1CCN1CC[C@@H](F)C1 ZINC000334628410 354370400 /nfs/dbraw/zinc/37/04/00/354370400.db2.gz PXBYDWZCGGGOMD-LLVKDONJSA-N 0 1 247.317 2.160 20 0 BEADMN Cn1ncc2c1CCCN(Cc1cccs1)C2 ZINC000334645872 354435901 /nfs/dbraw/zinc/43/59/01/354435901.db2.gz POJUKHLYKJPNCS-UHFFFAOYSA-N 0 1 247.367 2.430 20 0 BEADMN COc1ccc(CN2CC3(C2)CCCC3)cn1 ZINC000334644779 354403169 /nfs/dbraw/zinc/40/31/69/354403169.db2.gz KPXDIRWRBLWHAY-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC[C@@H]1C1CC1 ZINC000334667995 354407385 /nfs/dbraw/zinc/40/73/85/354407385.db2.gz ZZEKJZMOCOHBGM-CYBMUJFWSA-N 0 1 241.294 2.187 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)C[C@@H]2C)[nH]1 ZINC000334674974 354417826 /nfs/dbraw/zinc/41/78/26/354417826.db2.gz CTSIRVARADIMRJ-VIFPVBQESA-N 0 1 233.315 2.123 20 0 BEADMN Cc1noc(CN2CCC[C@H](C(C)C)C2)n1 ZINC000334683688 354429728 /nfs/dbraw/zinc/42/97/28/354429728.db2.gz FFPXKOKLMUSIEM-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)[C@H]1CC1(F)F ZINC000334748548 354473002 /nfs/dbraw/zinc/47/30/02/354473002.db2.gz RZITZKSZCAICBI-SCSAIBSYSA-N 0 1 249.163 2.264 20 0 BEADMN COC1(C)CCN(Cc2ccncc2F)CC1 ZINC000334734174 354534368 /nfs/dbraw/zinc/53/43/68/354534368.db2.gz AKWWVKLPEXUCGK-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C)C2CCC2)c1C ZINC000334736839 354538072 /nfs/dbraw/zinc/53/80/72/354538072.db2.gz RGRYPJUYTFBZJQ-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000334738366 354541037 /nfs/dbraw/zinc/54/10/37/354541037.db2.gz JWQPVGHKFKWOEK-MFKMUULPSA-N 0 1 223.316 2.445 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000334738564 354541117 /nfs/dbraw/zinc/54/11/17/354541117.db2.gz OGLCIFGPRGJEQF-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CCN(Cc2cncc(F)c2)C[C@@H]1C ZINC000334738564 354541121 /nfs/dbraw/zinc/54/11/21/354541121.db2.gz OGLCIFGPRGJEQF-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN F[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000334698767 354490739 /nfs/dbraw/zinc/49/07/39/354490739.db2.gz DKQYIFIXHKJPPA-ZDUSSCGKSA-N 0 1 235.302 2.208 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@H](C(C)C)C2)o1 ZINC000334707586 354501477 /nfs/dbraw/zinc/50/14/77/354501477.db2.gz FXJOFTHQEIHQJP-KOLCDFICSA-N 0 1 223.320 2.417 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@@H]2CCC[C@@H]21 ZINC000334709038 354504530 /nfs/dbraw/zinc/50/45/30/354504530.db2.gz WQKUEJTXAMPQMY-CABZTGNLSA-N 0 1 245.326 2.302 20 0 BEADMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CC1(C)C ZINC000334711004 354507506 /nfs/dbraw/zinc/50/75/06/354507506.db2.gz YKZWUXIKKCAIMZ-NSHDSACASA-N 0 1 243.310 2.433 20 0 BEADMN CO[C@H]1CCN(Cc2nc(C)cs2)C[C@@H]1C ZINC000334741017 354544627 /nfs/dbraw/zinc/54/46/27/354544627.db2.gz XYYNHLGVDIRIMP-ONGXEEELSA-N 0 1 240.372 2.308 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@]2(C)C(C)C)c1C ZINC000334715329 354513524 /nfs/dbraw/zinc/51/35/24/354513524.db2.gz HLWADPIFJUPNCG-ZWNOBZJWSA-N 0 1 235.331 2.191 20 0 BEADMN CCC[C@@]1(CO)CCN(Cc2ccns2)C1 ZINC000639191454 354516044 /nfs/dbraw/zinc/51/60/44/354516044.db2.gz GIPMXCBCKRVLMA-GFCCVEGCSA-N 0 1 240.372 2.128 20 0 BEADMN CC1=C(C(=O)N2CCN(C)CC2(C)C)CCC1 ZINC000334721036 354520811 /nfs/dbraw/zinc/52/08/11/354520811.db2.gz SCSAEAAYYWTWQS-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc2ccoc2c1 ZINC000334798930 354553789 /nfs/dbraw/zinc/55/37/89/354553789.db2.gz DOGCUUNMKIVOGM-LBPRGKRZSA-N 0 1 244.294 2.466 20 0 BEADMN CCN(C(=O)c1cnc(C)[nH]1)C1CC(C)(C)C1 ZINC000334814893 354572668 /nfs/dbraw/zinc/57/26/68/354572668.db2.gz IUQAULHMLKLZNK-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000639192843 354584594 /nfs/dbraw/zinc/58/45/94/354584594.db2.gz DYVPKIKXLCQWGU-BDAKNGLRSA-N 0 1 224.304 2.065 20 0 BEADMN Cc1ncc([C@H](C)N2CC(C3CC3)C2)c(C)n1 ZINC000639195283 354595875 /nfs/dbraw/zinc/59/58/75/354595875.db2.gz GSQIXCLTPOAVDR-JTQLQIEISA-N 0 1 231.343 2.496 20 0 BEADMN Cc1cc(CN2CC[C@@H](n3cccn3)C2)sn1 ZINC000639198403 354600016 /nfs/dbraw/zinc/60/00/16/354600016.db2.gz PSBVMBAMIHTBRE-LLVKDONJSA-N 0 1 248.355 2.095 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2cnc[nH]2)[C@H]1C(C)C ZINC000334743823 354547516 /nfs/dbraw/zinc/54/75/16/354547516.db2.gz NVJQGNWJYYRKCI-JQWIXIFHSA-N 0 1 235.331 2.162 20 0 BEADMN Cc1cc(CC(=O)N[C@]2(C)CCCC[C@@H]2C)[nH]n1 ZINC000335094632 354633255 /nfs/dbraw/zinc/63/32/55/354633255.db2.gz SSJCTCASCYDOID-IINYFYTJSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(CC(=O)N[C@@]2(C)CCCC[C@H]2C)[nH]n1 ZINC000335094638 354633270 /nfs/dbraw/zinc/63/32/70/354633270.db2.gz SSJCTCASCYDOID-YGRLFVJLSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1n[nH]cc1CN1CCC(C(F)F)CC1 ZINC000335082827 354616019 /nfs/dbraw/zinc/61/60/19/354616019.db2.gz QEYNZYSWRMJXFB-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN CC(C)n1cncc1CN1[C@H](C)C[C@@H]1C ZINC000335116958 354706998 /nfs/dbraw/zinc/70/69/98/354706998.db2.gz WRCOUSODXLANQS-PHIMTYICSA-N 0 1 207.321 2.447 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC000345605778 354728017 /nfs/dbraw/zinc/72/80/17/354728017.db2.gz SZWYMGDPHOCRPI-CMPLNLGQSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC000345605779 354728261 /nfs/dbraw/zinc/72/82/61/354728261.db2.gz SZWYMGDPHOCRPI-JQWIXIFHSA-N 0 1 249.358 2.203 20 0 BEADMN COC[C@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166010617 354730223 /nfs/dbraw/zinc/73/02/23/354730223.db2.gz GKANQWLRHUOLGH-GZMMTYOYSA-N 0 1 241.718 2.398 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)C[C@H]2C)nc1 ZINC000335123052 354762303 /nfs/dbraw/zinc/76/23/03/354762303.db2.gz ADLCMRZCBJMOAE-ZYHUDNBSSA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(C)(C)OC ZINC000345790388 354768868 /nfs/dbraw/zinc/76/88/68/354768868.db2.gz PNKVXUNSUJNYJG-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN CC(C)n1cc(CN2CC[C@H](C)[C@@H]2C)nn1 ZINC000335134131 354781829 /nfs/dbraw/zinc/78/18/29/354781829.db2.gz PRJRTRDSMRQOGT-QWRGUYRKSA-N 0 1 222.336 2.089 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC2CC2)C[C@@H]1C ZINC000345961700 354821533 /nfs/dbraw/zinc/82/15/33/354821533.db2.gz OYPJGOUNAKOODC-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000232989051 363390574 /nfs/dbraw/zinc/39/05/74/363390574.db2.gz LNNTUIDFVGGQNQ-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CCC(C)C)C[C@@H]1C ZINC000345982672 354832627 /nfs/dbraw/zinc/83/26/27/354832627.db2.gz MXTKCKPNGWLURU-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN CCn1ccnc1NCc1ncc(C)s1 ZINC000234190790 363416844 /nfs/dbraw/zinc/41/68/44/363416844.db2.gz YLRIHVSTVBZUAI-UHFFFAOYSA-N 0 1 222.317 2.280 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2=CCCC2)C[C@H]1C ZINC000345988778 354834634 /nfs/dbraw/zinc/83/46/34/354834634.db2.gz QTFXVIFDNZGNDQ-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@@H](C)[C@@H](CN(C(C)C)C1COC1)OC ZINC000639215988 354836412 /nfs/dbraw/zinc/83/64/12/354836412.db2.gz NNMRTVFLEIEGBD-DGCLKSJQSA-N 0 1 229.364 2.157 20 0 BEADMN CC[C@@H](C)[C@H](CN(C(C)C)C1COC1)OC ZINC000639215990 354836493 /nfs/dbraw/zinc/83/64/93/354836493.db2.gz NNMRTVFLEIEGBD-YPMHNXCESA-N 0 1 229.364 2.157 20 0 BEADMN C[C@@H]1COCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000335145386 354854507 /nfs/dbraw/zinc/85/45/07/354854507.db2.gz BYNLWAPJIUFETA-LBPRGKRZSA-N 0 1 246.354 2.039 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)C2CCC2)C1 ZINC000623197607 354890268 /nfs/dbraw/zinc/89/02/68/354890268.db2.gz WJPKCFGPDPJKAS-JOYOIKCWSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC(F)(F)F)[C@@H]1C(=O)[O-] ZINC000235595960 363448501 /nfs/dbraw/zinc/44/85/01/363448501.db2.gz DMVMTKWXVCCQRI-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1cnn(C)c1CN1CC2(C1)CCCC2 ZINC000335170893 354934570 /nfs/dbraw/zinc/93/45/70/354934570.db2.gz SBTZOXWGPJHIKF-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000335172670 354938082 /nfs/dbraw/zinc/93/80/82/354938082.db2.gz BHNOTIYBXDRRMJ-CMPLNLGQSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000335172672 354938437 /nfs/dbraw/zinc/93/84/37/354938437.db2.gz BHNOTIYBXDRRMJ-PWSUYJOCSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1nc([C@H](C)Sc2nc(C)c(C)[nH]2)n[nH]1 ZINC000335179668 354953903 /nfs/dbraw/zinc/95/39/03/354953903.db2.gz XESFMRSFYAWHHU-ZETCQYMHSA-N 0 1 237.332 2.306 20 0 BEADMN Cc1csc(CN2CCC[C@H](CO)[C@H]2C)n1 ZINC000335178617 354964139 /nfs/dbraw/zinc/96/41/39/354964139.db2.gz MUMOREBPWSPKGL-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)c1cc(N2CCN(C(C)C)CC2)ncn1 ZINC000346595138 354987800 /nfs/dbraw/zinc/98/78/00/354987800.db2.gz RSQORAFOVVKANR-UHFFFAOYSA-N 0 1 248.374 2.130 20 0 BEADMN C[C@@H](NCc1ncn(C)n1)C1CCCCCC1 ZINC000346624918 354996391 /nfs/dbraw/zinc/99/63/91/354996391.db2.gz FNSMOACXJJHOOI-LLVKDONJSA-N 0 1 236.363 2.264 20 0 BEADMN C[C@H](NCc1ncn(C)n1)C1CCCCCC1 ZINC000346624919 354996766 /nfs/dbraw/zinc/99/67/66/354996766.db2.gz FNSMOACXJJHOOI-NSHDSACASA-N 0 1 236.363 2.264 20 0 BEADMN FC(F)n1ccc(CNCCc2ccco2)n1 ZINC000346651195 355018834 /nfs/dbraw/zinc/01/88/34/355018834.db2.gz JWYJTSRAVHJHKP-UHFFFAOYSA-N 0 1 241.241 2.204 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1nccn1C ZINC000335194882 355028051 /nfs/dbraw/zinc/02/80/51/355028051.db2.gz PAMOMAMBZURDIU-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN Cc1cnc(CN2CCC[C@H](CO)[C@@H]2C)s1 ZINC000335181131 355077911 /nfs/dbraw/zinc/07/79/11/355077911.db2.gz RNGIAYVIBNDVAN-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1nc([C@H](C)N2Cc3ccc(C)cc3C2)n[nH]1 ZINC000335223122 355064116 /nfs/dbraw/zinc/06/41/16/355064116.db2.gz NOZWNNVXHVHLLJ-JTQLQIEISA-N 0 1 242.326 2.498 20 0 BEADMN CCN(Cc1occc1C)C(=O)c1cnc(C)[nH]1 ZINC000412792244 191317351 /nfs/dbraw/zinc/31/73/51/191317351.db2.gz TZLBLVNLESSGJH-UHFFFAOYSA-N 0 1 247.298 2.282 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C(C)(C)CC)C[C@H]1C ZINC000346780820 355115121 /nfs/dbraw/zinc/11/51/21/355115121.db2.gz WJJPYLOAJHCQDV-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(C)cc(NC(=O)N2CCN[C@@H](C)C2)c1 ZINC000335249489 355168888 /nfs/dbraw/zinc/16/88/88/355168888.db2.gz GNWFSIHTJXMMHI-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN CCc1nnc(SCCc2cncs2)[nH]1 ZINC000412988125 191330172 /nfs/dbraw/zinc/33/01/72/191330172.db2.gz KTWFFBUSULQVCD-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CCc1n[nH]c(SCCc2cncs2)n1 ZINC000412988125 191330174 /nfs/dbraw/zinc/33/01/74/191330174.db2.gz KTWFFBUSULQVCD-UHFFFAOYSA-N 0 1 240.357 2.158 20 0 BEADMN CC(C)[C@H](O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000412985459 191330261 /nfs/dbraw/zinc/33/02/61/191330261.db2.gz FVJFMGWEJLPCER-MRVPVSSYSA-N 0 1 243.376 2.211 20 0 BEADMN CC(C)[C@H](O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000412985459 191330263 /nfs/dbraw/zinc/33/02/63/191330263.db2.gz FVJFMGWEJLPCER-MRVPVSSYSA-N 0 1 243.376 2.211 20 0 BEADMN CC[C@@H](C(=O)N(CC)c1ccccc1)N(C)C ZINC000413137477 191358576 /nfs/dbraw/zinc/35/85/76/191358576.db2.gz GHWNLDMNZCMKNE-ZDUSSCGKSA-N 0 1 234.343 2.380 20 0 BEADMN CC[C@@H](CN1CCOC[C@@H]1c1ccccc1)OC ZINC000412975973 191347125 /nfs/dbraw/zinc/34/71/25/191347125.db2.gz GYURFGOOTSJAQG-LSDHHAIUSA-N 0 1 249.354 2.485 20 0 BEADMN COCC[C@H](C)CNc1cc(C)ccn1 ZINC000413485962 191387819 /nfs/dbraw/zinc/38/78/19/191387819.db2.gz AKRWNRHVCZYBOE-NSHDSACASA-N 0 1 208.305 2.475 20 0 BEADMN C[C@@H]1C[C@@H](CN=c2[nH]c3ccccc3[nH]2)[C@H](C)O1 ZINC000413532705 191392654 /nfs/dbraw/zinc/39/26/54/191392654.db2.gz NDQSIZDVFRERSU-VWYCJHECSA-N 0 1 245.326 2.210 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccns1 ZINC000639253440 355290799 /nfs/dbraw/zinc/29/07/99/355290799.db2.gz OMCOFZWAGLJZHF-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN C[C@@H](CCc1cccc(F)c1)N1CC(C)(O)C1 ZINC000639253890 355292922 /nfs/dbraw/zinc/29/29/22/355292922.db2.gz SVEXFZVWCCGMDN-NSHDSACASA-N 0 1 237.318 2.213 20 0 BEADMN COC[C@H]1CCCCN1Cc1cc(C)ns1 ZINC000639255260 355294174 /nfs/dbraw/zinc/29/41/74/355294174.db2.gz WQOLQKMYRYUEEN-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cc(C)ns1 ZINC000639255261 355294264 /nfs/dbraw/zinc/29/42/64/355294264.db2.gz WQOLQKMYRYUEEN-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000414108911 191435024 /nfs/dbraw/zinc/43/50/24/191435024.db2.gz KGUQFYNYECPMCD-KGYLQXTDSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1ncc(CN[C@@H](C)[C@H]2CC2(F)F)o1 ZINC000639248647 355279273 /nfs/dbraw/zinc/27/92/73/355279273.db2.gz DKFGWPHPVHZQNS-IONNQARKSA-N 0 1 230.258 2.370 20 0 BEADMN FC(F)COC1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639251364 355284129 /nfs/dbraw/zinc/28/41/29/355284129.db2.gz MVVHEEKEUUKNPX-MXWKQRLJSA-N 0 1 245.313 2.389 20 0 BEADMN C[C@H](NCCCCCn1cccn1)c1ccon1 ZINC000349233641 355372037 /nfs/dbraw/zinc/37/20/37/355372037.db2.gz DILQWVBXCOXYAL-LBPRGKRZSA-N 0 1 248.330 2.392 20 0 BEADMN COC1([C@H](C)N[C@@H](C)c2nccn2C)CCC1 ZINC000414302236 191474737 /nfs/dbraw/zinc/47/47/37/191474737.db2.gz KHNCXIOOKYJMHD-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@@H](NC[C@H]1CCCCO1)c1ccn(C)n1 ZINC000349460282 355385297 /nfs/dbraw/zinc/38/52/97/355385297.db2.gz PVSWITPVBPZOKD-VXGBXAGGSA-N 0 1 237.347 2.030 20 0 BEADMN CC[C@H](NC[C@H]1CCCCO1)c1ccn(C)n1 ZINC000349460278 355385405 /nfs/dbraw/zinc/38/54/05/355385405.db2.gz PVSWITPVBPZOKD-NEPJUHHUSA-N 0 1 237.347 2.030 20 0 BEADMN CCCc1csc(CNc2nccn2C)n1 ZINC000414310905 191487551 /nfs/dbraw/zinc/48/75/51/191487551.db2.gz XJULXSUNCSYVEB-UHFFFAOYSA-N 0 1 236.344 2.441 20 0 BEADMN COCCCCN(C)Cc1cnc(OC)s1 ZINC000639272473 355343406 /nfs/dbraw/zinc/34/34/06/355343406.db2.gz NBFFYUAIGVDHJS-UHFFFAOYSA-N 0 1 244.360 2.010 20 0 BEADMN CCC[C@@H](C[N@H+]1C[C@H](C)OC2(CCC2)C1)OC ZINC000639288897 355404359 /nfs/dbraw/zinc/40/43/59/355404359.db2.gz UEAOAVKBLAKOTA-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CC1(C)C ZINC000335781152 355428458 /nfs/dbraw/zinc/42/84/58/355428458.db2.gz OITAHEKRMYDYPU-GFCCVEGCSA-N 0 1 243.310 2.433 20 0 BEADMN COC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000335788256 355438217 /nfs/dbraw/zinc/43/82/17/355438217.db2.gz WTSVPNCAGWGXRQ-BETUJISGSA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccn(C)n1 ZINC000349771834 355453438 /nfs/dbraw/zinc/45/34/38/355453438.db2.gz AVJAQWDSCYYXBK-FPMFFAJLSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1ccc2ncc(CNC(C)(C)CF)n2c1 ZINC000349823513 355470083 /nfs/dbraw/zinc/47/00/83/355470083.db2.gz USEZRPFIZGEEOI-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN Cc1ccn2c(CNC(C)(C)CF)cnc2c1 ZINC000349849546 355478323 /nfs/dbraw/zinc/47/83/23/355478323.db2.gz JQAWVSIUQNESPM-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN CNC(=O)c1cccc(C[N@H+]2CCC=C(C)C2)c1 ZINC000335822439 355542594 /nfs/dbraw/zinc/54/25/94/355542594.db2.gz CZIVHZCIEWRFKC-UHFFFAOYSA-N 0 1 244.338 2.198 20 0 BEADMN CNC(=O)c1cccc(CN2CCC=C(C)C2)c1 ZINC000335822439 355542597 /nfs/dbraw/zinc/54/25/97/355542597.db2.gz CZIVHZCIEWRFKC-UHFFFAOYSA-N 0 1 244.338 2.198 20 0 BEADMN C[C@@H]1CC[C@@H](C[N@H+]2CCOCC23CCCC3)O1 ZINC000335822805 355542639 /nfs/dbraw/zinc/54/26/39/355542639.db2.gz NXWXGJSWADJCGM-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN CC1=CCC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000335822503 355542869 /nfs/dbraw/zinc/54/28/69/355542869.db2.gz MUVBUEBIVZFPPH-LBPRGKRZSA-N 0 1 236.359 2.086 20 0 BEADMN CC1=CCCN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000335822503 355542873 /nfs/dbraw/zinc/54/28/73/355542873.db2.gz MUVBUEBIVZFPPH-LBPRGKRZSA-N 0 1 236.359 2.086 20 0 BEADMN C[C@H](CC1CCCCC1)C[N@@H+](C)CC(N)=O ZINC000349962891 355542903 /nfs/dbraw/zinc/54/29/03/355542903.db2.gz IHMVJFQHADWTRI-LLVKDONJSA-N 0 1 226.364 2.010 20 0 BEADMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1=CCCC1 ZINC000335831864 355558466 /nfs/dbraw/zinc/55/84/66/355558466.db2.gz VUCKTEWKTLRCKA-TZMCWYRMSA-N 0 1 248.370 2.182 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)[nH]1 ZINC000335817436 355507778 /nfs/dbraw/zinc/50/77/78/355507778.db2.gz ITUTZXMERMZUDH-NWDGAFQWSA-N 0 1 234.347 2.268 20 0 BEADMN CCN(CCOC)Cc1cnc2cccc(C)n12 ZINC000349860743 355508801 /nfs/dbraw/zinc/50/88/01/355508801.db2.gz KJVDROLOTXIDBR-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CC[N@@H+](CCOC)Cc1cnc2cc(C)ccn12 ZINC000349861622 355510384 /nfs/dbraw/zinc/51/03/84/355510384.db2.gz QLDNMCDLNGUGER-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CCN(CCOC)Cc1cnc2cc(C)ccn12 ZINC000349861622 355510386 /nfs/dbraw/zinc/51/03/86/355510386.db2.gz QLDNMCDLNGUGER-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H](C)[C@@H](C)C2)n[nH]1 ZINC000335859904 355605349 /nfs/dbraw/zinc/60/53/49/355605349.db2.gz YGUVKURISXOMIT-MNOVXSKESA-N 0 1 236.363 2.406 20 0 BEADMN C=C/C=C/CC(=O)N1CCN([C@H](C)CC)CC1 ZINC001640789075 1172190020 /nfs/dbraw/zinc/19/00/20/1172190020.db2.gz HAMCEGDSXFDVIV-KTRBRXNASA-N 0 1 236.359 2.061 20 0 BEADMN CC[C@@]1(C)CCN(Cc2nccc(C)n2)C1 ZINC000335837452 355565920 /nfs/dbraw/zinc/56/59/20/355565920.db2.gz VFAZGZCBXIVMNI-ZDUSSCGKSA-N 0 1 219.332 2.407 20 0 BEADMN CCC1CCN(C(=O)c2coc(CN)c2)CC1 ZINC000335839932 355570847 /nfs/dbraw/zinc/57/08/47/355570847.db2.gz IFLMVMFDNRYTDC-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN NC(=O)CN1CCCc2ccccc2CC1 ZINC000336291784 181202307 /nfs/dbraw/zinc/20/23/07/181202307.db2.gz QEWUJUDUABMABY-UHFFFAOYSA-N 0 1 218.300 2.013 20 0 BEADMN CC1(C)C[C@H](NCc2nc3ccccc3o2)CO1 ZINC000639304320 355659375 /nfs/dbraw/zinc/65/93/75/355659375.db2.gz XOYWHXLIISKJHA-JTQLQIEISA-N 0 1 246.310 2.485 20 0 BEADMN CCc1ccc(C)nc1N[C@@H](C)Cn1cncn1 ZINC000639306906 355661394 /nfs/dbraw/zinc/66/13/94/355661394.db2.gz KFTYNYMOQQFWJO-NSHDSACASA-N 0 1 245.330 2.045 20 0 BEADMN C[C@H](NC1CC(n2cccn2)C1)c1cscn1 ZINC000639308454 355663897 /nfs/dbraw/zinc/66/38/97/355663897.db2.gz GQPHUCWEVKGFHC-WHXUTIOJSA-N 0 1 248.355 2.394 20 0 BEADMN C[C@H](NCc1nc2ccccc2o1)C1(CO)CC1 ZINC000639309545 355665487 /nfs/dbraw/zinc/66/54/87/355665487.db2.gz MJRQLEITORNKPH-JTQLQIEISA-N 0 1 246.310 2.078 20 0 BEADMN CCc1nc(C)c(CN2CCCO[C@H](C)C2)o1 ZINC000335880136 355668174 /nfs/dbraw/zinc/66/81/74/355668174.db2.gz ORCFJNMIGHNQRB-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CC(C)n1cc(CN2CCC[C@H](C)[C@H]2C)nn1 ZINC000335861402 355623933 /nfs/dbraw/zinc/62/39/33/355623933.db2.gz YANODSUMDOROCN-NWDGAFQWSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ncccn1 ZINC000335862801 355626209 /nfs/dbraw/zinc/62/62/09/355626209.db2.gz IQVDYDGWBMZOPK-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN NC(=O)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000336370611 181204733 /nfs/dbraw/zinc/20/47/33/181204733.db2.gz VZSOXFGGDQMPKW-SSDOTTSWSA-N 0 1 228.679 2.290 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)cn1 ZINC000335869979 355636136 /nfs/dbraw/zinc/63/61/36/355636136.db2.gz KREXBTBVTYFBPX-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCCOC2)cn1 ZINC000335869979 355636139 /nfs/dbraw/zinc/63/61/39/355636139.db2.gz KREXBTBVTYFBPX-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cnc(CNCCCOC(C)(C)C)o1 ZINC000639318682 355712239 /nfs/dbraw/zinc/71/22/39/355712239.db2.gz WVIPSDLESMPCIF-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000639321930 355722863 /nfs/dbraw/zinc/72/28/63/355722863.db2.gz QCGAJGKGCJDIEU-GXTWGEPZSA-N 0 1 235.302 2.091 20 0 BEADMN NC(=O)[C@H]1CSCCN1CC1CCCC1 ZINC000336363887 181205443 /nfs/dbraw/zinc/20/54/43/181205443.db2.gz GLZSUBGAQOAURB-SNVBAGLBSA-N 0 1 228.361 2.129 20 0 BEADMN C(=C/c1ccncc1)\CN1CCSCC1 ZINC000335884799 355676117 /nfs/dbraw/zinc/67/61/17/355676117.db2.gz JZFJCIKSNYOLCJ-OWOJBTEDSA-N 0 1 220.341 2.144 20 0 BEADMN CC[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000335889711 355681230 /nfs/dbraw/zinc/68/12/30/355681230.db2.gz OTLFTGIEFIVTDA-NSHDSACASA-N 0 1 249.358 2.336 20 0 BEADMN CN(C)CC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000608470758 355762247 /nfs/dbraw/zinc/76/22/47/355762247.db2.gz KNCHIMIRDXWWHY-CQSZACIVSA-N 0 1 246.354 2.206 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@H]2C2CCC2)no1 ZINC000425347874 191818037 /nfs/dbraw/zinc/81/80/37/191818037.db2.gz DDAFACQSJDCDEA-QWHCGFSZSA-N 0 1 236.315 2.099 20 0 BEADMN c1c(CN2C[C@@H]3C[C@@H]3C2)onc1C1CC1 ZINC000639347668 355795016 /nfs/dbraw/zinc/79/50/16/355795016.db2.gz JRBPZZGRVTUYPW-AOOOYVTPSA-N 0 1 204.273 2.004 20 0 BEADMN c1c(CN[C@H]2CO[C@@H](C3CC3)C2)onc1C1CC1 ZINC000639355378 355809044 /nfs/dbraw/zinc/80/90/44/355809044.db2.gz SWWQLEHEXGQHMI-BXUZGUMPSA-N 0 1 248.326 2.209 20 0 BEADMN Cc1n[nH]cc1CN1CC(c2ccccc2)C1 ZINC000639361815 355816206 /nfs/dbraw/zinc/81/62/06/355816206.db2.gz SVELQMOMJMVCFY-UHFFFAOYSA-N 0 1 227.311 2.318 20 0 BEADMN CC1(NCc2cccc(C3CC3)c2)COC1 ZINC000639381473 355918017 /nfs/dbraw/zinc/91/80/17/355918017.db2.gz VKXDTVIIOYHXTO-UHFFFAOYSA-N 0 1 217.312 2.443 20 0 BEADMN CC1(NCc2cccc3cccnc32)COC1 ZINC000639381695 355922625 /nfs/dbraw/zinc/92/26/25/355922625.db2.gz HIUGZNSPUOKALN-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN CCc1ccc(CNC2(C)COC2)s1 ZINC000639382173 355926298 /nfs/dbraw/zinc/92/62/98/355926298.db2.gz NQYQNDBCALQCLO-UHFFFAOYSA-N 0 1 211.330 2.189 20 0 BEADMN CC(C)Oc1ccc(CNC2(C)COC2)cc1 ZINC000639382129 355926587 /nfs/dbraw/zinc/92/65/87/355926587.db2.gz MPNYVEABMHWECA-UHFFFAOYSA-N 0 1 235.327 2.352 20 0 BEADMN CCCOc1ccc(CNC2(C)COC2)cc1 ZINC000639382635 355930004 /nfs/dbraw/zinc/93/00/04/355930004.db2.gz UTINFLDIZRFYFI-UHFFFAOYSA-N 0 1 235.327 2.354 20 0 BEADMN CC1(NCc2ccccc2C2CC2)COC1 ZINC000639382641 355930134 /nfs/dbraw/zinc/93/01/34/355930134.db2.gz VAXYJIYYIRWFLS-UHFFFAOYSA-N 0 1 217.312 2.443 20 0 BEADMN COc1ccc(CNC2(C)COC2)cc1Cl ZINC000639382775 355932419 /nfs/dbraw/zinc/93/24/19/355932419.db2.gz WXSNKTGSLOAJFZ-UHFFFAOYSA-N 0 1 241.718 2.227 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H](O)C2)no1 ZINC000353259235 356035844 /nfs/dbraw/zinc/03/58/44/356035844.db2.gz DPSLWZWFMYVTSB-QJPTWQEYSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)NC[C@H]2CCC[C@@H](O)C2)no1 ZINC000353259236 356036861 /nfs/dbraw/zinc/03/68/61/356036861.db2.gz DPSLWZWFMYVTSB-SDDRHHMPSA-N 0 1 238.331 2.185 20 0 BEADMN CCN(C)c1ccc(CN2CC(C)(C)C2)cn1 ZINC000639393530 356059756 /nfs/dbraw/zinc/05/97/56/356059756.db2.gz METWQRIOWMMKKV-UHFFFAOYSA-N 0 1 233.359 2.380 20 0 BEADMN CCC1(CC)CCN(Cc2nc(C)no2)C1 ZINC000351530600 356009667 /nfs/dbraw/zinc/00/96/67/356009667.db2.gz BLPNOWQZTBZGDJ-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC000617568404 356123796 /nfs/dbraw/zinc/12/37/96/356123796.db2.gz BURNGDHLSXPOPG-JTQLQIEISA-N 0 1 237.347 2.283 20 0 BEADMN C[C@H](F)CCN[C@H](CO)c1c(F)cccc1F ZINC000351721037 356070311 /nfs/dbraw/zinc/07/03/11/356070311.db2.gz RFSQSSKCESTTAP-GZMMTYOYSA-N 0 1 247.260 2.336 20 0 BEADMN CN1c2ccccc2CN(CC2CCC2)CC1=O ZINC000623258758 356086048 /nfs/dbraw/zinc/08/60/48/356086048.db2.gz DKJKGXASBLGIFG-UHFFFAOYSA-N 0 1 244.338 2.265 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)C1CC2(CC2)C1 ZINC000613495677 363459355 /nfs/dbraw/zinc/45/93/55/363459355.db2.gz MPGMUPYABOUIPS-UHFFFAOYSA-N 0 1 246.314 2.201 20 0 BEADMN C[C@H](Nc1cc2c(cn1)CCC2)[C@@H]1CCOC1 ZINC000335916408 356157644 /nfs/dbraw/zinc/15/76/44/356157644.db2.gz WDSQWCIKAZQOMX-GXFFZTMASA-N 0 1 232.327 2.407 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000335916965 356160291 /nfs/dbraw/zinc/16/02/91/356160291.db2.gz NGWGCECOPSRNAB-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000617571020 356133880 /nfs/dbraw/zinc/13/38/80/356133880.db2.gz DUVNFPIZYUKLIH-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)C1CC2(CC2)C1 ZINC000613495677 363459358 /nfs/dbraw/zinc/45/93/58/363459358.db2.gz MPGMUPYABOUIPS-UHFFFAOYSA-N 0 1 246.314 2.201 20 0 BEADMN CN(Cc1ccco1)Cc1cc[nH]c(=O)c1 ZINC000639434581 356213198 /nfs/dbraw/zinc/21/31/98/356213198.db2.gz JJSVYDLDUBNRGN-UHFFFAOYSA-N 0 1 218.256 2.012 20 0 BEADMN CC[C@H](C)CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000617634106 356217725 /nfs/dbraw/zinc/21/77/25/356217725.db2.gz PDOVZLBADPAKRO-JTQLQIEISA-N 0 1 249.358 2.455 20 0 BEADMN C[C@H]1CCCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639445357 356226041 /nfs/dbraw/zinc/22/60/41/356226041.db2.gz JWRWPBFMMPKFIR-ZETCQYMHSA-N 0 1 243.257 2.362 20 0 BEADMN COC[C@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000526114286 356226454 /nfs/dbraw/zinc/22/64/54/356226454.db2.gz HLPIRZWULUFTBE-UKRRQHHQSA-N 0 1 249.354 2.342 20 0 BEADMN CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000006223529 356205827 /nfs/dbraw/zinc/20/58/27/356205827.db2.gz YBCFXTUGEHIMBC-CYBMUJFWSA-N 0 1 249.310 2.134 20 0 BEADMN CCN(CCc1cccs1)CC(C)=O ZINC000639464951 356253505 /nfs/dbraw/zinc/25/35/05/356253505.db2.gz ITONDVAMUKBLIE-UHFFFAOYSA-N 0 1 211.330 2.202 20 0 BEADMN CC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000639471985 356261677 /nfs/dbraw/zinc/26/16/77/356261677.db2.gz IWQUBGNTHIRVNV-LLVKDONJSA-N 0 1 205.301 2.311 20 0 BEADMN C[C@H]1CC[C@@](C)(CNC(=O)CN(C)C)C1(C)C ZINC000617662574 356264810 /nfs/dbraw/zinc/26/48/10/356264810.db2.gz MMGJHORTHJIDLQ-FZMZJTMJSA-N 0 1 240.391 2.127 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000167588945 356279462 /nfs/dbraw/zinc/27/94/62/356279462.db2.gz UFFDFQBADIEJQN-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](C)CCNC(=O)CN1CCC(C)CC1 ZINC000617638117 356240783 /nfs/dbraw/zinc/24/07/83/356240783.db2.gz HDYTVZZHBSRNTL-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CC[C@@H](C)CCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000617639433 356246132 /nfs/dbraw/zinc/24/61/32/356246132.db2.gz FWCFIBMUQMNMSF-SNVBAGLBSA-N 0 1 237.347 2.240 20 0 BEADMN CC(=O)CN1CCC(COc2ccccc2)CC1 ZINC000639459088 356247027 /nfs/dbraw/zinc/24/70/27/356247027.db2.gz FFGPRNQCDIYFOB-UHFFFAOYSA-N 0 1 247.338 2.366 20 0 BEADMN Clc1ccc(SCc2nnc[nH]2)nc1 ZINC001640850074 1172197376 /nfs/dbraw/zinc/19/73/76/1172197376.db2.gz DZEGTANCMBQOKW-UHFFFAOYSA-N 0 1 226.692 2.145 20 0 BEADMN CC(C)c1nnc(C[N@@H+]2CCCC23CCC3)[nH]1 ZINC000336124922 134092663 /nfs/dbraw/zinc/09/26/63/134092663.db2.gz LCASIMBRRXYCAK-UHFFFAOYSA-N 0 1 234.347 2.447 20 0 BEADMN CC1(C)C[N@@H+](CC2(O)CCC2)[C@H]1c1ccncc1 ZINC000336127152 134093562 /nfs/dbraw/zinc/09/35/62/134093562.db2.gz OASYKTVPEXVWCY-ZDUSSCGKSA-N 0 1 246.354 2.380 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1nc(CC2CC2)no1 ZINC000639493784 356316750 /nfs/dbraw/zinc/31/67/50/356316750.db2.gz CUYXRGJJVQLMSI-VHSXEESVSA-N 0 1 235.331 2.252 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(CC(=O)Nc2ccccn2)C1 ZINC000639505627 356333773 /nfs/dbraw/zinc/33/37/73/356333773.db2.gz YEXJVNZQRLYTJN-VXGBXAGGSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@H]1CCN(Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639511203 356345335 /nfs/dbraw/zinc/34/53/35/356345335.db2.gz NPLNQEJCBDSPQP-UWVGGRQHSA-N 0 1 235.331 2.252 20 0 BEADMN C[C@@H]1CCN(CC2(C)CCC2)CC[S@@]1=O ZINC000336137897 134096962 /nfs/dbraw/zinc/09/69/62/134096962.db2.gz UBQWYDUDMWTOBC-ABAIWWIYSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1C ZINC000639503548 356330356 /nfs/dbraw/zinc/33/03/56/356330356.db2.gz NDYQKMJSAMWWLB-AOOOYVTPSA-N 0 1 235.331 2.110 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000623754079 356404140 /nfs/dbraw/zinc/40/41/40/356404140.db2.gz IWQNJHBJKKASGI-STQMWFEESA-N 0 1 249.358 2.121 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccs1 ZINC000216578104 356461436 /nfs/dbraw/zinc/46/14/36/356461436.db2.gz LHHVEZBMSAQMDB-NSHDSACASA-N 0 1 241.356 2.476 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000145080995 356480090 /nfs/dbraw/zinc/48/00/90/356480090.db2.gz ZCJMXOSDSMPYJY-BXUZGUMPSA-N 0 1 233.311 2.229 20 0 BEADMN CCOc1ccc([C@@H](C)NCC(C)=O)cc1 ZINC000639563770 356480131 /nfs/dbraw/zinc/48/01/31/356480131.db2.gz ZYYIMALVUKFZGF-LLVKDONJSA-N 0 1 221.300 2.325 20 0 BEADMN COc1ccc([C@@H](NCC(C)=O)C2CC2)cc1 ZINC000639568894 356491416 /nfs/dbraw/zinc/49/14/16/356491416.db2.gz QRAAEROZJJLCLI-AWEZNQCLSA-N 0 1 233.311 2.325 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2c(Cl)cnn2C)C1 ZINC000336164504 134112772 /nfs/dbraw/zinc/11/27/72/134112772.db2.gz LTGLBBCWVMMNJI-BDAKNGLRSA-N 0 1 227.739 2.304 20 0 BEADMN CC(C)OC(=O)c1c(F)cc(O)cc1F ZINC000609851972 356490829 /nfs/dbraw/zinc/49/08/29/356490829.db2.gz VERNZONVWIVNME-UHFFFAOYSA-N 0 1 216.183 2.236 20 0 BEADMN CCCC[N@@H+](CC)[C@@H](CCC)C(=O)[O-] ZINC000216637214 356473486 /nfs/dbraw/zinc/47/34/86/356473486.db2.gz AYABSVJOKHLIKQ-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C[C@H]1F ZINC000639571192 356495110 /nfs/dbraw/zinc/49/51/10/356495110.db2.gz HBWGMTNCTWGFJU-GRYCIOLGSA-N 0 1 229.339 2.481 20 0 BEADMN C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000639570338 356495197 /nfs/dbraw/zinc/49/51/97/356495197.db2.gz CAHONEXDVVEJRP-WISYIIOYSA-N 0 1 215.312 2.091 20 0 BEADMN Cc1csc([C@H](C)NCc2cc[nH]c(=O)c2)n1 ZINC000639582053 356503112 /nfs/dbraw/zinc/50/31/12/356503112.db2.gz ZPRWDGIJWDONSQ-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN CC[C@H]1Cc2ccccc2C[N@H+]1CC(C)=O ZINC000639587690 356505182 /nfs/dbraw/zinc/50/51/82/356505182.db2.gz YJJHJJOEJDFCLN-AWEZNQCLSA-N 0 1 217.312 2.412 20 0 BEADMN CC[C@H]1Cc2ccccc2CN1CC(C)=O ZINC000639587690 356505186 /nfs/dbraw/zinc/50/51/86/356505186.db2.gz YJJHJJOEJDFCLN-AWEZNQCLSA-N 0 1 217.312 2.412 20 0 BEADMN Cc1noc(CN2CCCCC[C@H]2C)n1 ZINC000336172756 134115633 /nfs/dbraw/zinc/11/56/33/134115633.db2.gz SUTUNYHEXKEQMA-SECBINFHSA-N 0 1 209.293 2.143 20 0 BEADMN CCn1ncnc1CN1CC[C@H](C2CCCC2)C1 ZINC000420965166 192283643 /nfs/dbraw/zinc/28/36/43/192283643.db2.gz RPYGKCYXSTTZOM-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN C(c1noc(CN2CC[C@H]3CCC[C@H]32)n1)C1CC1 ZINC000639597677 356516747 /nfs/dbraw/zinc/51/67/47/356516747.db2.gz HBHDLGNLILOMQL-VXGBXAGGSA-N 0 1 247.342 2.397 20 0 BEADMN C(c1noc(CN2CC[C@@H]3CCC[C@@H]32)n1)C1CC1 ZINC000639597675 356517438 /nfs/dbraw/zinc/51/74/38/356517438.db2.gz HBHDLGNLILOMQL-RYUDHWBXSA-N 0 1 247.342 2.397 20 0 BEADMN Cn1nccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000336188174 134122452 /nfs/dbraw/zinc/12/24/52/134122452.db2.gz GWVFAVWADRGCJS-ZDUSSCGKSA-N 0 1 231.343 2.185 20 0 BEADMN c1ncc2c(n1)CN(CC1=CCCCC1)CC2 ZINC000336192361 134124224 /nfs/dbraw/zinc/12/42/24/134124224.db2.gz JYSMFCKFRFVLTP-UHFFFAOYSA-N 0 1 229.327 2.335 20 0 BEADMN C[C@H]1OCCN(CC2CC(F)(F)C2)[C@H]1C ZINC000336195966 134125627 /nfs/dbraw/zinc/12/56/27/134125627.db2.gz HTHMYQHYRXFENE-DTWKUNHWSA-N 0 1 219.275 2.141 20 0 BEADMN Cc1ncccc1CN1CCSC[C@@H]1C ZINC000179665480 366282743 /nfs/dbraw/zinc/28/27/43/366282743.db2.gz FQXBNWLQNDQJBU-JTQLQIEISA-N 0 1 222.357 2.327 20 0 BEADMN COc1ccc(CC[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421014895 192302160 /nfs/dbraw/zinc/30/21/60/192302160.db2.gz HWVULQHJZPIRKU-OAHLLOKOSA-N 0 1 247.338 2.103 20 0 BEADMN Cc1nccc(N[C@H]2CC[C@@H](CO)C2)c1Cl ZINC000336199027 134128002 /nfs/dbraw/zinc/12/80/02/134128002.db2.gz YNMJXTHTFPHXIW-ZJUUUORDSA-N 0 1 240.734 2.038 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccon2)no1 ZINC000350595732 366306394 /nfs/dbraw/zinc/30/63/94/366306394.db2.gz MKXBHDQICQIVCF-RKDXNWHRSA-N 0 1 248.286 2.097 20 0 BEADMN CCOc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421029646 192308664 /nfs/dbraw/zinc/30/86/64/192308664.db2.gz XJIFDXPDTCVOEN-HNNXBMFYSA-N 0 1 247.338 2.450 20 0 BEADMN CCOc1ccccc1CN1CC[C@@]12CCOC2 ZINC000421039387 192310879 /nfs/dbraw/zinc/31/08/79/192310879.db2.gz VJFLZRUTKAZLGJ-HNNXBMFYSA-N 0 1 247.338 2.450 20 0 BEADMN Cc1ccc(CN(C)Cc2cc[nH]c(=O)c2)nc1 ZINC000639661492 356570221 /nfs/dbraw/zinc/57/02/21/356570221.db2.gz YCOXJRROLYHGHS-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CC(=O)CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000639655825 356572173 /nfs/dbraw/zinc/57/21/73/356572173.db2.gz RRKICXSAZODDIS-CQSZACIVSA-N 0 1 247.338 2.069 20 0 BEADMN C[C@H]1C[C@H](CN2CCC=C(F)C2)CCO1 ZINC000336210661 134134336 /nfs/dbraw/zinc/13/43/36/134134336.db2.gz HDOFFPHQOMYDPJ-WDEREUQCSA-N 0 1 213.296 2.361 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2nc(CC3CC3)no2)C[C@H]1C ZINC000639671955 356588278 /nfs/dbraw/zinc/58/82/78/356588278.db2.gz DHPGLPDPVLXWJB-GMTAPVOTSA-N 0 1 249.358 2.498 20 0 BEADMN C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1nc(CC2CC2)no1 ZINC000639670963 356586064 /nfs/dbraw/zinc/58/60/64/356586064.db2.gz KAGAUCCQSIAWLU-WOPDTQHZSA-N 0 1 247.342 2.300 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC[C@@H]2CC)[nH]1 ZINC000450134289 202085370 /nfs/dbraw/zinc/08/53/70/202085370.db2.gz IQCXUOVUHKHFAE-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC[C@@H]2CC)n1 ZINC000450134289 202085375 /nfs/dbraw/zinc/08/53/75/202085375.db2.gz IQCXUOVUHKHFAE-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(Cc2ccncc2C)C[C@@H]1C ZINC000639742687 356631350 /nfs/dbraw/zinc/63/13/50/356631350.db2.gz SKXYPQYBDOFHAC-OKILXGFUSA-N 0 1 247.386 2.305 20 0 BEADMN CCC[C@H]1CCC[C@@H]1C(=O)NCCN1CCC1 ZINC000450199497 202095377 /nfs/dbraw/zinc/09/53/77/202095377.db2.gz FNLWZXMDYZSQPS-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN CCN(CC1CC1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639726567 356622301 /nfs/dbraw/zinc/62/23/01/356622301.db2.gz DEENFHMVQUSMEC-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@@H](C)CO1 ZINC000639729752 356623105 /nfs/dbraw/zinc/62/31/05/356623105.db2.gz MBHRKLXDLAHTDR-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cn(CC3CC3)nn2)C1 ZINC000450248641 202110139 /nfs/dbraw/zinc/11/01/39/202110139.db2.gz YAVYCWMGLQKUFE-TXEJJXNPSA-N 0 1 248.374 2.166 20 0 BEADMN C[C@@H](C1CC1)N(Cc1cnns1)C1CC1 ZINC000450260516 202110973 /nfs/dbraw/zinc/11/09/73/202110973.db2.gz CWLFOAZSUSWBQP-QMMMGPOBSA-N 0 1 223.345 2.301 20 0 BEADMN CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1C(C)(C)C ZINC000639747229 356642064 /nfs/dbraw/zinc/64/20/64/356642064.db2.gz FZNSKLCIKQADMM-CQSZACIVSA-N 0 1 247.386 2.244 20 0 BEADMN CC1CCC(CN2CC[S@@](=O)[C@H](C)C2)CC1 ZINC000336413342 134146577 /nfs/dbraw/zinc/14/65/77/134146577.db2.gz QIMCZMRVGPECRW-AZGFUHLJSA-N 0 1 243.416 2.266 20 0 BEADMN CCN(CCOC)Cc1cccc(C(C)=O)c1 ZINC000450290581 202120624 /nfs/dbraw/zinc/12/06/24/202120624.db2.gz WPMFUVJPEFKPGX-UHFFFAOYSA-N 0 1 235.327 2.358 20 0 BEADMN CC(C)CN(C)CC(=O)Nc1cccc(F)c1 ZINC000053944667 363558169 /nfs/dbraw/zinc/55/81/69/363558169.db2.gz DJBHVKIYVQDZBL-UHFFFAOYSA-N 0 1 238.306 2.352 20 0 BEADMN CCN(CCO)Cc1c(C)cccc1Cl ZINC000450351593 202141016 /nfs/dbraw/zinc/14/10/16/202141016.db2.gz VORVKHNUSYKLCU-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN CCN(Cc1occc1C(=O)OC)C1CCC1 ZINC000610002056 356688171 /nfs/dbraw/zinc/68/81/71/356688171.db2.gz ZEULWVVLGVRYEE-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN C[C@@H](NC[C@H]1CCSC1)C(C)(F)F ZINC000389463926 356681309 /nfs/dbraw/zinc/68/13/09/356681309.db2.gz GVHWPRFBGAUBHO-HTQZYQBOSA-N 0 1 209.305 2.373 20 0 BEADMN CCc1ccc(-c2noc(CNC)n2)cc1 ZINC000035163455 356704477 /nfs/dbraw/zinc/70/44/77/356704477.db2.gz GYVHLYNVIDSCFA-UHFFFAOYSA-N 0 1 217.272 2.018 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000035297479 356705271 /nfs/dbraw/zinc/70/52/71/356705271.db2.gz MHLQWGRUEBJQAB-ZDUSSCGKSA-N 0 1 233.311 2.168 20 0 BEADMN C[C@@H]1CCCCCN1Cc1cn(CC2CC2)nn1 ZINC000450413340 202158150 /nfs/dbraw/zinc/15/81/50/202158150.db2.gz UKOJNIVNGGEAQF-GFCCVEGCSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2c2cn[nH]c2)O1 ZINC000639778736 356723594 /nfs/dbraw/zinc/72/35/94/356723594.db2.gz SRSTVHPMEKUWQI-RTXFEEFZSA-N 0 1 235.331 2.114 20 0 BEADMN COCCCCCN(C)Cc1ccns1 ZINC000639787355 356739945 /nfs/dbraw/zinc/73/99/45/356739945.db2.gz MCBDILUGSLEYCI-UHFFFAOYSA-N 0 1 228.361 2.392 20 0 BEADMN COCC1(CN(C)Cc2ccns2)CCC1 ZINC000639808629 356778112 /nfs/dbraw/zinc/77/81/12/356778112.db2.gz NMJMTNNLIZMFOW-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN CCc1nnc(CN2[C@H](CC)CC[C@@H]2C)[nH]1 ZINC000355053223 356748654 /nfs/dbraw/zinc/74/86/54/356748654.db2.gz OEKLQUCZEYTTMV-VHSXEESVSA-N 0 1 222.336 2.130 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CC1CC(F)(F)C1 ZINC000450493019 202184182 /nfs/dbraw/zinc/18/41/82/202184182.db2.gz YURYFPAXJUIBID-SECBINFHSA-N 0 1 249.301 2.304 20 0 BEADMN CO[C@@H]1CN([C@H](C)CCc2ccccc2)CCO1 ZINC000639833134 356819396 /nfs/dbraw/zinc/81/93/96/356819396.db2.gz MQCQRGDPEDQMQR-HIFRSBDPSA-N 0 1 249.354 2.312 20 0 BEADMN CO[C@@H]1CN(C[C@@H]2CCC[C@@H](C)C2)CCO1 ZINC000639836800 356823139 /nfs/dbraw/zinc/82/31/39/356823139.db2.gz JNIOWONYGBEDMP-UPJWGTAASA-N 0 1 227.348 2.117 20 0 BEADMN CC(C)CC[C@H](O)CN(C)Cc1ccns1 ZINC000639809408 356783707 /nfs/dbraw/zinc/78/37/07/356783707.db2.gz SQAQJOZNBNDQKA-NSHDSACASA-N 0 1 242.388 2.372 20 0 BEADMN Cc1cccc2nc(CNC(=O)[C@H]3C[C@@H]3C)[nH]c21 ZINC000155034646 538699349 /nfs/dbraw/zinc/69/93/49/538699349.db2.gz GMDRRBPZZSFCLF-UWVGGRQHSA-N 0 1 243.310 2.144 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1cnn(C)c1 ZINC000358512111 356870246 /nfs/dbraw/zinc/87/02/46/356870246.db2.gz UJXJHJNZEOVEKJ-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1ccnn1C ZINC000358515545 356870474 /nfs/dbraw/zinc/87/04/74/356870474.db2.gz YUPODKOGJZXPQL-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN CO[C@@H](CN1CCC[C@@H]1c1ncccn1)C1CC1 ZINC000639863813 356874131 /nfs/dbraw/zinc/87/41/31/356874131.db2.gz CBOCEQIYWGSTHP-OLZOCXBDSA-N 0 1 247.342 2.039 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@@H]1CCC(F)(F)C1 ZINC000450550091 202191568 /nfs/dbraw/zinc/19/15/68/202191568.db2.gz AUXMGNXCFBPANM-VHSXEESVSA-N 0 1 249.301 2.305 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cncs2)C1 ZINC000155439163 538712447 /nfs/dbraw/zinc/71/24/47/538712447.db2.gz JORQIKYNLSLUCA-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000155460494 538717279 /nfs/dbraw/zinc/71/72/79/538717279.db2.gz PVUFXXMYZJOXNH-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000155639808 538724949 /nfs/dbraw/zinc/72/49/49/538724949.db2.gz UNQOOTDIMRAHQB-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN CCN(Cc1occc1C)[C@@H]1CCOC1 ZINC000361236951 356920339 /nfs/dbraw/zinc/92/03/39/356920339.db2.gz HFWMUAKYJFFILT-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CCN(Cc1scnc1C)[C@H]1CCOC1 ZINC000361235369 356921054 /nfs/dbraw/zinc/92/10/54/356921054.db2.gz AOXVIEZGPMETLD-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000361247685 356921908 /nfs/dbraw/zinc/92/19/08/356921908.db2.gz YQNRAZYPRDHYFY-MELADBBJSA-N 0 1 241.375 2.037 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@@H](C(C)C)C1 ZINC000361312270 356925801 /nfs/dbraw/zinc/92/58/01/356925801.db2.gz RHKHUQSUTBITGM-UONOGXRCSA-N 0 1 243.391 2.140 20 0 BEADMN CCc1nnc(CN(CC2CC2)CC2CCC2)[nH]1 ZINC000361567606 356933569 /nfs/dbraw/zinc/93/35/69/356933569.db2.gz UWYTVRLWOCCSAM-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN C[C@H](N[C@H](CO)CC1CCCC1)c1ncc[nH]1 ZINC000353594574 538751694 /nfs/dbraw/zinc/75/16/94/538751694.db2.gz NAACSRAGXRHICC-JQWIXIFHSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@H](N[C@H](CO)CCC(C)(C)C)c1ncc[nH]1 ZINC000353592790 538751783 /nfs/dbraw/zinc/75/17/83/538751783.db2.gz KEVJPPQOSFCLEQ-QWRGUYRKSA-N 0 1 239.363 2.248 20 0 BEADMN CC(=O)CN(C)C[C@@H]1CCc2ccccc21 ZINC000639865327 356962063 /nfs/dbraw/zinc/96/20/63/356962063.db2.gz PUXRRFMAGKMQKJ-ZDUSSCGKSA-N 0 1 217.312 2.237 20 0 BEADMN COC(=O)[C@H](C1CC1)N(C)CCC(C)(C)C ZINC000399683460 357011696 /nfs/dbraw/zinc/01/16/96/357011696.db2.gz CAODVRBFMBKMSQ-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612268 357101662 /nfs/dbraw/zinc/10/16/62/357101662.db2.gz YQXCDHQYQKIUGM-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN C/C=C\C[C@H](CO)N[C@H](C)c1cscn1 ZINC000390011877 357083954 /nfs/dbraw/zinc/08/39/54/357083954.db2.gz ZPCUDEKKLASQIX-HWKXXFMVSA-N 0 1 226.345 2.121 20 0 BEADMN CC[C@@H](O)CN1CC[C@](F)(c2ccccc2)C1 ZINC000374531925 357162090 /nfs/dbraw/zinc/16/20/90/357162090.db2.gz TYIQSJDGSFEIRW-ZIAGYGMSSA-N 0 1 237.318 2.328 20 0 BEADMN Cc1cc(C(=O)N(C)CCc2ccccc2)n[nH]1 ZINC000054725484 363578022 /nfs/dbraw/zinc/57/80/22/363578022.db2.gz OSGIBYLAURUYLM-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN CCC[N@@H+](Cc1ncccc1[O-])CC1CC1 ZINC000582387125 357121029 /nfs/dbraw/zinc/12/10/29/357121029.db2.gz IZGCFRAPMBXMMS-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CCC[N@H+](Cc1ncccc1[O-])CC1CC1 ZINC000582387125 357121032 /nfs/dbraw/zinc/12/10/32/357121032.db2.gz IZGCFRAPMBXMMS-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN c1nc(CN[C@H](C2CCC2)[C@@H]2CCCO2)co1 ZINC000631256133 357124135 /nfs/dbraw/zinc/12/41/35/357124135.db2.gz SRCRRAROWMDTER-QWHCGFSZSA-N 0 1 236.315 2.112 20 0 BEADMN c1nc(C2CC2)sc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628409637 357206299 /nfs/dbraw/zinc/20/62/99/357206299.db2.gz WRDUNLBKDBYULD-AOOOYVTPSA-N 0 1 220.341 2.472 20 0 BEADMN COc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1F ZINC000628410748 357217437 /nfs/dbraw/zinc/21/74/37/357217437.db2.gz RDSOAURBQPXABM-PHIMTYICSA-N 0 1 221.275 2.286 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000305091584 357183660 /nfs/dbraw/zinc/18/36/60/357183660.db2.gz PYDXMKNMHNDSHZ-CABCVRRESA-N 0 1 249.354 2.005 20 0 BEADMN CC[C@@H](O)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000305091584 357183663 /nfs/dbraw/zinc/18/36/63/357183663.db2.gz PYDXMKNMHNDSHZ-CABCVRRESA-N 0 1 249.354 2.005 20 0 BEADMN Cc1ncc(CN2CCCC(F)(F)CC2)n1C ZINC000628422430 357245059 /nfs/dbraw/zinc/24/50/59/357245059.db2.gz HGWNTCWZWVFCKE-UHFFFAOYSA-N 0 1 243.301 2.350 20 0 BEADMN COCC[C@@H]1CCC[C@@H]1NCC(C)(F)F ZINC000393947118 357321448 /nfs/dbraw/zinc/32/14/48/357321448.db2.gz NOKYFOIKWSBMJB-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN O=C(CCc1cnc[nH]1)N(CC1CC1)C1CCC1 ZINC000358424947 538843065 /nfs/dbraw/zinc/84/30/65/538843065.db2.gz GYNMXVIYHGYDKF-UHFFFAOYSA-N 0 1 247.342 2.133 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1cncnc1 ZINC000358503887 538843116 /nfs/dbraw/zinc/84/31/16/538843116.db2.gz FYTZVHKRVFZYMF-NSHDSACASA-N 0 1 242.326 2.285 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(F)(F)F ZINC000397111228 357506412 /nfs/dbraw/zinc/50/64/12/357506412.db2.gz RRDVSLXVCWIXDE-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CCCNC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000054993329 363583052 /nfs/dbraw/zinc/58/30/52/363583052.db2.gz WFPRRXRYNZTOKX-AWEZNQCLSA-N 0 1 246.354 2.350 20 0 BEADMN CC(C)=CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000583094327 357479423 /nfs/dbraw/zinc/47/94/23/357479423.db2.gz SRZGJVOJFLDVMI-LLVKDONJSA-N 0 1 235.331 2.061 20 0 BEADMN CCCNC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000054993328 363582728 /nfs/dbraw/zinc/58/27/28/363582728.db2.gz WFPRRXRYNZTOKX-CQSZACIVSA-N 0 1 246.354 2.350 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccccc1 ZINC000397009649 357489068 /nfs/dbraw/zinc/48/90/68/357489068.db2.gz IRKFHENANQELDH-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)[C@@H](C)[N@H+](C)Cc1ncccc1[O-] ZINC000583136111 357489103 /nfs/dbraw/zinc/48/91/03/357489103.db2.gz HDVWMIGMWXWWJB-SNVBAGLBSA-N 0 1 208.305 2.264 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1ncccc1[O-] ZINC000583136111 357489105 /nfs/dbraw/zinc/48/91/05/357489105.db2.gz HDVWMIGMWXWWJB-SNVBAGLBSA-N 0 1 208.305 2.264 20 0 BEADMN C[C@@H]1CN(C[C@H](O)CC2CCCC2)C[C@@H](C)O1 ZINC000188636166 357569712 /nfs/dbraw/zinc/56/97/12/357569712.db2.gz BQSVHSSWIRHYGU-YRGRVCCFSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@H]1CC[C@H](CNc2ncnc3[nH]cnc32)C1 ZINC000230431260 357524759 /nfs/dbraw/zinc/52/47/59/357524759.db2.gz QHISFNOMJGCYQC-IUCAKERBSA-N 0 1 231.303 2.201 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000390433229 538866333 /nfs/dbraw/zinc/86/63/33/538866333.db2.gz GEKSOFRPYOJSIH-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](NC1CC(C)C1)c1nnc2n1CCCCC2 ZINC000231787371 357628969 /nfs/dbraw/zinc/62/89/69/357628969.db2.gz RREAHNXKCSTBLA-MOENNCHZSA-N 0 1 248.374 2.454 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCN1 ZINC000189018253 357600305 /nfs/dbraw/zinc/60/03/05/357600305.db2.gz TUTQRBXSFGVJRS-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nc(CN2CCc3c2cccc3C)n[nH]1 ZINC000159071106 538873695 /nfs/dbraw/zinc/87/36/95/538873695.db2.gz OEFWFOPUCFZBCH-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN c1cc(CNC[C@H]2CCOc3ccccc32)no1 ZINC000159113773 538874706 /nfs/dbraw/zinc/87/47/06/538874706.db2.gz MDQVXFIHDZVSIQ-LLVKDONJSA-N 0 1 244.294 2.331 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)[C@@H](C)CO1 ZINC000232142955 357647724 /nfs/dbraw/zinc/64/77/24/357647724.db2.gz YAZZKUXLDKIILB-SCRDCRAPSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)CC2CCCC2)[C@@H](C)CO1 ZINC000232142955 357647728 /nfs/dbraw/zinc/64/77/28/357647728.db2.gz YAZZKUXLDKIILB-SCRDCRAPSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)CC2CCCC2)C[C@@H](C)O1 ZINC000232142588 357648230 /nfs/dbraw/zinc/64/82/30/357648230.db2.gz BQSVHSSWIRHYGU-BZPMIXESSA-N 0 1 241.375 2.037 20 0 BEADMN CCC[N@@H+](CC)CCC1(C(=O)[O-])CCC1 ZINC000685946842 538888406 /nfs/dbraw/zinc/88/84/06/538888406.db2.gz CSHURNJBWKBVQR-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)n1ccc(CN[C@@]2(C)CCO[C@H]2C)n1 ZINC000232800424 357685567 /nfs/dbraw/zinc/68/55/67/357685567.db2.gz PGCFKFVDJZUDFF-AAEUAGOBSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)n1ccc(CN[C@@]2(C)CCO[C@@H]2C)n1 ZINC000232800385 357685581 /nfs/dbraw/zinc/68/55/81/357685581.db2.gz PGCFKFVDJZUDFF-YPMHNXCESA-N 0 1 237.347 2.121 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190035137 357687206 /nfs/dbraw/zinc/68/72/06/357687206.db2.gz CTJKKKGSCQTDEO-ZDUSSCGKSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC[C@@H](NCc1nccn1CC)C(C)C ZINC000233737287 357741576 /nfs/dbraw/zinc/74/15/76/357741576.db2.gz MBTBUSNHGAUODS-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN c1cnn([C@H]2CCCC[C@@H]2NCc2cocn2)c1 ZINC000191106426 357750290 /nfs/dbraw/zinc/75/02/90/357750290.db2.gz BTVKQMZBDLRJCH-STQMWFEESA-N 0 1 246.314 2.145 20 0 BEADMN C[C@@H](NCc1cocn1)[C@H]1COc2ccccc21 ZINC000191110630 357750328 /nfs/dbraw/zinc/75/03/28/357750328.db2.gz WLPCPAPAVSEMEH-ZWNOBZJWSA-N 0 1 244.294 2.329 20 0 BEADMN CN(Cc1cn(C(C)(C)C)nn1)C1CCCC1 ZINC000191197915 357754750 /nfs/dbraw/zinc/75/47/50/357754750.db2.gz ZXJHBCDUXQAQFJ-UHFFFAOYSA-N 0 1 236.363 2.408 20 0 BEADMN CC[C@H](C)CN(CC)Cc1ncccn1 ZINC000192056281 357815730 /nfs/dbraw/zinc/81/57/30/357815730.db2.gz ZDGGCEIDSALNAQ-NSHDSACASA-N 0 1 207.321 2.345 20 0 BEADMN CCC[C@H]1CCCN(Cc2ncccn2)C1 ZINC000192069382 357816571 /nfs/dbraw/zinc/81/65/71/357816571.db2.gz INFGVMKMNZDASA-LBPRGKRZSA-N 0 1 219.332 2.489 20 0 BEADMN CCc1cnc(CNC[C@H]2CC[C@H](C)O2)s1 ZINC000234227137 357787430 /nfs/dbraw/zinc/78/74/30/357787430.db2.gz XIKAQHDOGLDSRT-VHSXEESVSA-N 0 1 240.372 2.363 20 0 BEADMN O=C([O-])C[N@@H+](CCOc1ccccc1)C1CCC1 ZINC000583273260 357787531 /nfs/dbraw/zinc/78/75/31/357787531.db2.gz KYNZVMUBRNEITL-UHFFFAOYSA-N 0 1 249.310 2.005 20 0 BEADMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1cscn1 ZINC000398171795 357857573 /nfs/dbraw/zinc/85/75/73/357857573.db2.gz PCCYCHHDLILQGX-OPRDCNLKSA-N 0 1 226.345 2.361 20 0 BEADMN O=C1O[C@@H](C[N@H+]2CCCC3(CC3)C2)CC12CCC2 ZINC000192193548 357826308 /nfs/dbraw/zinc/82/63/08/357826308.db2.gz ADFNZZXBKNFVOS-GFCCVEGCSA-N 0 1 249.354 2.348 20 0 BEADMN CCCC1CCC(N(C)C(=O)CN(C)C)CC1 ZINC000192272720 357826727 /nfs/dbraw/zinc/82/67/27/357826727.db2.gz QFOTVGAGAUVNAR-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN COc1cc(C)nc(CNCC=C(C)C)c1 ZINC000234903312 357836515 /nfs/dbraw/zinc/83/65/15/357836515.db2.gz FXPYXGSXRRTQOX-UHFFFAOYSA-N 0 1 220.316 2.454 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926230 357839016 /nfs/dbraw/zinc/83/90/16/357839016.db2.gz JVMBFXQJIXXMQE-PWSUYJOCSA-N 0 1 223.316 2.433 20 0 BEADMN CC(F)(F)CN[C@H]1CCOC2(CCC2)C1 ZINC000583303186 357888631 /nfs/dbraw/zinc/88/86/31/357888631.db2.gz AAWHNIRFMJQDGX-VIFPVBQESA-N 0 1 219.275 2.333 20 0 BEADMN Cc1cccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000235673467 357927242 /nfs/dbraw/zinc/92/72/42/357927242.db2.gz ANQBATWQARNZHN-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCCC[C@H]2O)c(C)o1 ZINC000639952570 357975016 /nfs/dbraw/zinc/97/50/16/357975016.db2.gz FMUMQYGVBVAXPB-CHWSQXEVSA-N 0 1 238.331 2.027 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1cccc(F)c1 ZINC000035752188 357998803 /nfs/dbraw/zinc/99/88/03/357998803.db2.gz FGLDTOQLNGZAOX-VIFPVBQESA-N 0 1 225.263 2.121 20 0 BEADMN c1coc(CNCc2[nH]nc3ccccc32)c1 ZINC000051666680 358045468 /nfs/dbraw/zinc/04/54/68/358045468.db2.gz IPYDKWKEIWVURK-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN C[C@@H](NCCC(N)=O)c1ccc(F)cc1Cl ZINC000037262072 358061357 /nfs/dbraw/zinc/06/13/57/358061357.db2.gz RFSQEMYEBSCKEP-SSDOTTSWSA-N 0 1 244.697 2.005 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC1CC1 ZINC000037918919 358097543 /nfs/dbraw/zinc/09/75/43/358097543.db2.gz QIWDRHDKNJCXOZ-UHFFFAOYSA-N 0 1 219.284 2.227 20 0 BEADMN Cc1oc(C[N@@H+](C)CC2CC2)cc1C(=O)[O-] ZINC000037925808 358098201 /nfs/dbraw/zinc/09/82/01/358098201.db2.gz DFIGPSHGUNORPX-UHFFFAOYSA-N 0 1 223.272 2.128 20 0 BEADMN OCC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000051896452 358092949 /nfs/dbraw/zinc/09/29/49/358092949.db2.gz JPGMDIWBKZZONS-GFCCVEGCSA-N 0 1 237.318 2.420 20 0 BEADMN O=C1CCN(CC[C@H]2CCCO2)C2(CCC2)C1 ZINC000584663000 358122451 /nfs/dbraw/zinc/12/24/51/358122451.db2.gz QSZSLXXCWBJUKH-CYBMUJFWSA-N 0 1 237.343 2.143 20 0 BEADMN Cc1ncsc1CNCC1(F)CC1 ZINC000388311498 358132763 /nfs/dbraw/zinc/13/27/63/358132763.db2.gz RVZRCHSSWXQEBZ-UHFFFAOYSA-N 0 1 200.282 2.043 20 0 BEADMN CC(C)N1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640037914 358137782 /nfs/dbraw/zinc/13/77/82/358137782.db2.gz RRKLYTKLWRAJHA-UHFFFAOYSA-N 0 1 234.347 2.016 20 0 BEADMN CC(C)C(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000584729155 358168144 /nfs/dbraw/zinc/16/81/44/358168144.db2.gz CEYBJKHOZYEPTJ-GFCCVEGCSA-N 0 1 240.391 2.127 20 0 BEADMN CC(C)C(C)(C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000584729155 358168149 /nfs/dbraw/zinc/16/81/49/358168149.db2.gz CEYBJKHOZYEPTJ-GFCCVEGCSA-N 0 1 240.391 2.127 20 0 BEADMN Cc1nc([C@@H](C)N2Cc3ccccc3CO2)n[nH]1 ZINC000640125779 358204816 /nfs/dbraw/zinc/20/48/16/358204816.db2.gz APILWUDDBXNKQX-SECBINFHSA-N 0 1 244.298 2.122 20 0 BEADMN CCOC1CC(NCc2ccn(C(C)C)n2)C1 ZINC000224395562 358232869 /nfs/dbraw/zinc/23/28/69/358232869.db2.gz XVXSGGNCKHYVKQ-UHFFFAOYSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CO)C(C)C)c(C)s1 ZINC000086121039 491126835 /nfs/dbraw/zinc/12/68/35/491126835.db2.gz JHCMRRONJRGDAY-LDYMZIIASA-N 0 1 242.388 2.427 20 0 BEADMN Fc1ccccc1CCNCc1ccon1 ZINC000138709848 491127633 /nfs/dbraw/zinc/12/76/33/491127633.db2.gz OGXXKDIRIOQQRL-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN C[C@@H](O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000450746427 202253154 /nfs/dbraw/zinc/25/31/54/202253154.db2.gz RJXAELAPRADNET-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN COC1(CN[C@@H](C)c2nccs2)CCC1 ZINC000134716474 325372932 /nfs/dbraw/zinc/37/29/32/325372932.db2.gz NVLCBKWFAJBJAF-VIFPVBQESA-N 0 1 226.345 2.363 20 0 BEADMN C[C@H]1C(=O)N(C)CCN1CCC1=CCCCC1 ZINC000450775016 202260685 /nfs/dbraw/zinc/26/06/85/202260685.db2.gz APSNXHFUUWEUEY-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H]1CCCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450770289 202261044 /nfs/dbraw/zinc/26/10/44/202261044.db2.gz FBOQYBGVMHHWLL-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN COC(=O)c1sc([C@H]2CCCCN2)nc1C ZINC000584639252 358324650 /nfs/dbraw/zinc/32/46/50/358324650.db2.gz IMYQMKDOLPINAR-MRVPVSSYSA-N 0 1 240.328 2.053 20 0 BEADMN CCC[C@H](C)CN(C)[C@@H](C)CS(=O)(=O)CC ZINC000180255500 366405068 /nfs/dbraw/zinc/40/50/68/366405068.db2.gz KZIDSXMKEMOKNG-RYUDHWBXSA-N 0 1 249.420 2.178 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000226759649 358343570 /nfs/dbraw/zinc/34/35/70/358343570.db2.gz GMDJTGMIXOWZQH-CMPLNLGQSA-N 0 1 219.284 2.154 20 0 BEADMN C[N@H+](Cc1ccoc1)Cc1ccoc1C(=O)[O-] ZINC000042448403 358349032 /nfs/dbraw/zinc/34/90/32/358349032.db2.gz NFQDZVKZZLQKTD-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN C[N@@H+](Cc1ccoc1)Cc1ccoc1C(=O)[O-] ZINC000042448403 358349035 /nfs/dbraw/zinc/34/90/35/358349035.db2.gz NFQDZVKZZLQKTD-UHFFFAOYSA-N 0 1 235.239 2.203 20 0 BEADMN CC1(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351075179 366404221 /nfs/dbraw/zinc/40/42/21/366404221.db2.gz HOVLAWHBXBLAQO-UHFFFAOYSA-N 0 1 240.266 2.436 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1[C@@H]1C=CCCC1 ZINC000229224383 358368456 /nfs/dbraw/zinc/36/84/56/358368456.db2.gz OPNZHIIIWQLQQZ-LPWJVIDDSA-N 0 1 235.327 2.280 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000228197215 358369991 /nfs/dbraw/zinc/36/99/91/358369991.db2.gz ZAINIKRTYHIYAP-UONOGXRCSA-N 0 1 245.322 2.339 20 0 BEADMN CCOCCN1CCOC2(CCCCC2)C1 ZINC000173848680 134278165 /nfs/dbraw/zinc/27/81/65/134278165.db2.gz FCDACIHROLWPBN-UHFFFAOYSA-N 0 1 227.348 2.058 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000180404967 366447874 /nfs/dbraw/zinc/44/78/74/366447874.db2.gz RBUSSFJTUSDBSI-NXEZZACHSA-N 0 1 234.347 2.160 20 0 BEADMN CCc1cc(C(=O)N2CCC3(CCCC3)C2)n[nH]1 ZINC000173766241 134277382 /nfs/dbraw/zinc/27/73/82/134277382.db2.gz HBYWCKWEDXKJRO-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN COCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640153551 358433838 /nfs/dbraw/zinc/43/38/38/358433838.db2.gz QOHDFCUKPFVOCC-LBPRGKRZSA-N 0 1 229.270 2.462 20 0 BEADMN CCN(CC(=O)N(C)C1CCCCC1)C1CC1 ZINC000046058847 358568930 /nfs/dbraw/zinc/56/89/30/358568930.db2.gz BDKQVJAJCPQUQY-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CC[N@H+](CC(=O)NC1CCCC1)CC(C)C ZINC000046062933 358569396 /nfs/dbraw/zinc/56/93/96/358569396.db2.gz UASCCZBXAYVJFF-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccn[nH]1 ZINC000047990295 358608939 /nfs/dbraw/zinc/60/89/39/358608939.db2.gz RSZQDBSTJQOUGQ-SECBINFHSA-N 0 1 247.273 2.382 20 0 BEADMN CC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1cccs1 ZINC000129812831 358598316 /nfs/dbraw/zinc/59/83/16/358598316.db2.gz VOFYCMXXFNTSFE-SECBINFHSA-N 0 1 236.344 2.416 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)n[nH]1 ZINC000048687539 358647455 /nfs/dbraw/zinc/64/74/55/358647455.db2.gz LULCNKQDQVBLPO-LBPRGKRZSA-N 0 1 244.298 2.024 20 0 BEADMN Cc1noc(C2CN(Cc3cccc(C)c3)C2)n1 ZINC000049482649 358690979 /nfs/dbraw/zinc/69/09/79/358690979.db2.gz HABWWAAKZNZFFJ-UHFFFAOYSA-N 0 1 243.310 2.286 20 0 BEADMN Cc1noc(C2CN(Cc3ccccc3C)C2)n1 ZINC000049482646 358691032 /nfs/dbraw/zinc/69/10/32/358691032.db2.gz KGPWEHZPSKINPU-UHFFFAOYSA-N 0 1 243.310 2.286 20 0 BEADMN COCCCN1CCC[C@@H]1c1cc(C)on1 ZINC000051475585 358752462 /nfs/dbraw/zinc/75/24/62/358752462.db2.gz QTAKMRXJQLYUGM-GFCCVEGCSA-N 0 1 224.304 2.156 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccccc1 ZINC000101154481 358758430 /nfs/dbraw/zinc/75/84/30/358758430.db2.gz HKJPQPBEQASGOI-UHFFFAOYSA-N 0 1 200.241 2.189 20 0 BEADMN COC[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000176169640 134289212 /nfs/dbraw/zinc/28/92/12/134289212.db2.gz SOUCGQUBFNCDKF-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2CCO)oc1C ZINC000050104933 358715982 /nfs/dbraw/zinc/71/59/82/358715982.db2.gz HQQDQBOLGFNWQK-LBPRGKRZSA-N 0 1 238.331 2.028 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC1CC(F)(F)C1 ZINC000578242371 366468522 /nfs/dbraw/zinc/46/85/22/366468522.db2.gz UYVHANIVZPSKGA-JTQLQIEISA-N 0 1 249.301 2.463 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2[nH]nc3ccccc32)C1 ZINC000134957006 358812677 /nfs/dbraw/zinc/81/26/77/358812677.db2.gz VJJHLPJRBZOOPR-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000134989913 358814759 /nfs/dbraw/zinc/81/47/59/358814759.db2.gz OYGQIPANNBWEGA-WDEREUQCSA-N 0 1 234.347 2.069 20 0 BEADMN Cc1cc(CNc2ccc3c(n2)CCC3)no1 ZINC000134293181 358785593 /nfs/dbraw/zinc/78/55/93/358785593.db2.gz PESVLWQMMBYUAJ-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN CN(Cc1ccccc1)Cc1cccnc1N ZINC000052717558 358791062 /nfs/dbraw/zinc/79/10/62/358791062.db2.gz DPIJIMGYPOMWEE-UHFFFAOYSA-N 0 1 227.311 2.296 20 0 BEADMN CCc1nc(CNC2(CO)CCCC2)cs1 ZINC000053069210 358807094 /nfs/dbraw/zinc/80/70/94/358807094.db2.gz TVBSVWYXKPBIOA-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1csc(C)n1 ZINC000564088834 358858466 /nfs/dbraw/zinc/85/84/66/358858466.db2.gz CXSZUEYCGYOBNC-JOYOIKCWSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1[nH]ncc1CNc1cccc(CCCO)c1 ZINC000136223901 358869842 /nfs/dbraw/zinc/86/98/42/358869842.db2.gz LRNHGBNMBMPQDL-UHFFFAOYSA-N 0 1 245.326 2.255 20 0 BEADMN COC(=O)CN1CCC[C@H]1CCC(C)C ZINC000135313697 358831175 /nfs/dbraw/zinc/83/11/75/358831175.db2.gz PKHRWYZKSXNKHG-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)CN1CCC[C@@H]1CCC(C)C ZINC000135313711 358831312 /nfs/dbraw/zinc/83/13/12/358831312.db2.gz PKHRWYZKSXNKHG-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CCC(C)(C)OCCNCc1ccccn1 ZINC000053568636 358834731 /nfs/dbraw/zinc/83/47/31/358834731.db2.gz NKRASUMLOITFFH-UHFFFAOYSA-N 0 1 222.332 2.376 20 0 BEADMN CCCCOCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000054342344 358847914 /nfs/dbraw/zinc/84/79/14/358847914.db2.gz SYQXDLWUYGEKHP-QWHCGFSZSA-N 0 1 227.348 2.056 20 0 BEADMN COC(=O)[C@H](N[C@@H](C)C1CCCC1)C(C)C ZINC000054078173 358851010 /nfs/dbraw/zinc/85/10/10/358851010.db2.gz RTPNHRZNXABXIK-CMPLNLGQSA-N 0 1 227.348 2.352 20 0 BEADMN CN(CCC(=O)OC(C)(C)C)Cc1ccoc1 ZINC000055059326 358881599 /nfs/dbraw/zinc/88/15/99/358881599.db2.gz PEWYYTXQGHLLLF-UHFFFAOYSA-N 0 1 239.315 2.443 20 0 BEADMN CSCCN1CC2(C1)CC(F)(F)C2 ZINC000611180378 358928916 /nfs/dbraw/zinc/92/89/16/358928916.db2.gz FRACGVNSRURRJL-UHFFFAOYSA-N 0 1 207.289 2.081 20 0 BEADMN CC[C@@H](C(N)=O)N(C)Cc1cccc(Cl)c1 ZINC000061679189 358936256 /nfs/dbraw/zinc/93/62/56/358936256.db2.gz VOMDBLOKRJCNKN-NSHDSACASA-N 0 1 240.734 2.036 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC000177982599 134302332 /nfs/dbraw/zinc/30/23/32/134302332.db2.gz JKSWUVZBTIHVLV-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN FCCNCc1ccc2cnccc2c1 ZINC000308834298 491138675 /nfs/dbraw/zinc/13/86/75/491138675.db2.gz VROLSPQPJZCXHB-UHFFFAOYSA-N 0 1 204.248 2.294 20 0 BEADMN CC[C@H](C(N)=O)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000246425173 359080317 /nfs/dbraw/zinc/08/03/17/359080317.db2.gz KWBYRJLOGGOMNP-IACUBPJLSA-N 0 1 246.354 2.128 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C)[C@H]2C)n1 ZINC000246432295 359084320 /nfs/dbraw/zinc/08/43/20/359084320.db2.gz DFCYIMYARSCEME-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H](C)[C@H]2C)n1 ZINC000246432295 359084322 /nfs/dbraw/zinc/08/43/22/359084322.db2.gz DFCYIMYARSCEME-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H](C)[C@H]2C)n1 ZINC000246432295 359084323 /nfs/dbraw/zinc/08/43/23/359084323.db2.gz DFCYIMYARSCEME-WDEREUQCSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@@H]1CN(Cc2ccno2)C[C@@H](C)S1 ZINC000072770298 359089965 /nfs/dbraw/zinc/08/99/65/359089965.db2.gz RQMIQZLEJBKLJE-RKDXNWHRSA-N 0 1 212.318 2.000 20 0 BEADMN Cc1noc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000073620204 359104567 /nfs/dbraw/zinc/10/45/67/359104567.db2.gz UXSPYFIMDOOITE-ONGXEEELSA-N 0 1 223.320 2.389 20 0 BEADMN COC[C@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000246729190 359160242 /nfs/dbraw/zinc/16/02/42/359160242.db2.gz MARLXVDCUZSFQT-UKRRQHHQSA-N 0 1 249.354 2.137 20 0 BEADMN c1c(CN2CC[C@@H]3CCC[C@@H]32)nnn1CC1CC1 ZINC000450778757 202263623 /nfs/dbraw/zinc/26/36/23/202263623.db2.gz MHCJHOAFDADUKO-JSGCOSHPSA-N 0 1 246.358 2.063 20 0 BEADMN FC(F)(F)COCCN1CCCCC1 ZINC000077675850 359304681 /nfs/dbraw/zinc/30/46/81/359304681.db2.gz UINQCXNCDWINAN-UHFFFAOYSA-N 0 1 211.227 2.051 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@H](C)[C@H]2C)o1 ZINC000248337430 359265586 /nfs/dbraw/zinc/26/55/86/359265586.db2.gz HLGXBAYWQSUWMK-YIZRAAEISA-N 0 1 209.293 2.169 20 0 BEADMN CCCCNC(=O)[C@@H](C)[N@H+]1CCC(C)(C)C1 ZINC000076013820 359268248 /nfs/dbraw/zinc/26/82/48/359268248.db2.gz OZCNNVAXIQUMCA-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCCCNC(=O)[C@H](C)[N@H+]1CCC(C)(C)C1 ZINC000076013823 359268648 /nfs/dbraw/zinc/26/86/48/359268648.db2.gz OZCNNVAXIQUMCA-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@@H](C)[C@@H]2C)n1 ZINC000248356858 359268738 /nfs/dbraw/zinc/26/87/38/359268738.db2.gz OVQLYZBTTLCNMY-UTLUCORTSA-N 0 1 223.320 2.423 20 0 BEADMN CCCc1noc(CN2CC[C@H](C)[C@H]2C)n1 ZINC000248357735 359270376 /nfs/dbraw/zinc/27/03/76/359270376.db2.gz PVGAOPROLZHQBZ-VHSXEESVSA-N 0 1 223.320 2.252 20 0 BEADMN FCCNCc1nccc2ccccc21 ZINC000308887781 491139780 /nfs/dbraw/zinc/13/97/80/491139780.db2.gz UVMUGXIFMNPDGY-UHFFFAOYSA-N 0 1 204.248 2.294 20 0 BEADMN C=CCOCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000385578499 359331598 /nfs/dbraw/zinc/33/15/98/359331598.db2.gz RRXOEFIWRDRCAJ-UHFFFAOYSA-N 0 1 249.310 2.019 20 0 BEADMN CCSCCN1CCCCC[C@@H]1C(=O)OC ZINC000611576950 359397336 /nfs/dbraw/zinc/39/73/36/359397336.db2.gz FSNDELSJQMZBOF-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)C2(N(C)C)CC2)CC1 ZINC000613834203 363658454 /nfs/dbraw/zinc/65/84/54/363658454.db2.gz JDHFIKAVMNSTOI-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cn(C(C)(C)C)nn1 ZINC000191436575 359567322 /nfs/dbraw/zinc/56/73/22/359567322.db2.gz ZUEFRCZRHPMRQX-WDEREUQCSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(CO)o2)C1 ZINC000580418800 359533512 /nfs/dbraw/zinc/53/35/12/359533512.db2.gz QWKBMAPJERXSON-MNOVXSKESA-N 0 1 223.316 2.392 20 0 BEADMN c1snnc1CNC[C@H]1CCCC12CC2 ZINC000628494467 359673740 /nfs/dbraw/zinc/67/37/40/359673740.db2.gz PNABOAQTBFMKSM-SECBINFHSA-N 0 1 223.345 2.208 20 0 BEADMN COC[C@@H]1CN(CC2=CCCCC2)C[C@@H](C)O1 ZINC000450825424 202277704 /nfs/dbraw/zinc/27/77/04/202277704.db2.gz GDUBGSMMRXJURF-OCCSQVGLSA-N 0 1 239.359 2.223 20 0 BEADMN CCC(=O)CCCN1CC(C)(C)OC[C@@H]1C ZINC000450839804 202282411 /nfs/dbraw/zinc/28/24/11/202282411.db2.gz CYIFDOMUVSHXND-NSHDSACASA-N 0 1 227.348 2.245 20 0 BEADMN CCC1(CNc2ccnc(C)c2Cl)COC1 ZINC000450842082 202284700 /nfs/dbraw/zinc/28/47/00/202284700.db2.gz FFBFXWBJQWMAMM-UHFFFAOYSA-N 0 1 240.734 2.304 20 0 BEADMN CSc1nc(=O)n(CCC2=CCCCC2)[nH]1 ZINC000450915458 202308446 /nfs/dbraw/zinc/30/84/46/202308446.db2.gz ZVMAKULNBZRKRV-UHFFFAOYSA-N 0 1 239.344 2.184 20 0 BEADMN CCC[C@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450905590 202306662 /nfs/dbraw/zinc/30/66/62/202306662.db2.gz OJTMNKHIBHXFTH-VHSXEESVSA-N 0 1 239.319 2.143 20 0 BEADMN CCC[C@H](O)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000450976754 202322370 /nfs/dbraw/zinc/32/23/70/202322370.db2.gz DMOIULLRHVLCQY-WCQYABFASA-N 0 1 237.347 2.098 20 0 BEADMN COC(=O)CC1(CN2CCC[C@](C)(F)C2)CC1 ZINC000451115643 202353292 /nfs/dbraw/zinc/35/32/92/202353292.db2.gz PBZCFLFWHNFABN-LBPRGKRZSA-N 0 1 243.322 2.154 20 0 BEADMN CCCc1nc(C)c(CN(C)[C@H](CC)CO)o1 ZINC000451155434 202368537 /nfs/dbraw/zinc/36/85/37/202368537.db2.gz BIIZBFJCMRKGQW-LLVKDONJSA-N 0 1 240.347 2.138 20 0 BEADMN Cc1ccc(CCN(C2CC2)C2COC2)cc1 ZINC000451124807 202359492 /nfs/dbraw/zinc/35/94/92/202359492.db2.gz JRIPVLBTMKFLGE-UHFFFAOYSA-N 0 1 231.339 2.401 20 0 BEADMN C1=C(CN(C2CC2)C2COC2)CCCC1 ZINC000451126720 202359915 /nfs/dbraw/zinc/35/99/15/202359915.db2.gz RMFAKQRHASGACS-UHFFFAOYSA-N 0 1 207.317 2.350 20 0 BEADMN c1ccc(OCCCN(C2CC2)C2COC2)cc1 ZINC000451124927 202361700 /nfs/dbraw/zinc/36/17/00/202361700.db2.gz GYEOBLYGXOABPF-UHFFFAOYSA-N 0 1 247.338 2.319 20 0 BEADMN CO[C@@H](CN1CC[C@H](F)C1)c1ccccc1 ZINC000451196905 202374635 /nfs/dbraw/zinc/37/46/35/202374635.db2.gz NLXRWRZGKAHEEN-STQMWFEESA-N 0 1 223.291 2.418 20 0 BEADMN CCOCCC[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000087325891 359907295 /nfs/dbraw/zinc/90/72/95/359907295.db2.gz CGRHGSIXPDVZKC-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCOC1(C)C ZINC000451240481 202384438 /nfs/dbraw/zinc/38/44/38/202384438.db2.gz HFFIYZIUQFFDRP-NSHDSACASA-N 0 1 237.347 2.121 20 0 BEADMN CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1COC1 ZINC000451281868 202394282 /nfs/dbraw/zinc/39/42/82/202394282.db2.gz APKKVJGVCCAQSF-SECBINFHSA-N 0 1 219.275 2.143 20 0 BEADMN CCc1ccccc1C[N@H+](CC)C1COC1 ZINC000451283312 202394346 /nfs/dbraw/zinc/39/43/46/202394346.db2.gz FUBDOXYZKHVGGL-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN CCc1ccccc1CN(CC)C1COC1 ZINC000451283312 202394348 /nfs/dbraw/zinc/39/43/48/202394348.db2.gz FUBDOXYZKHVGGL-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN CC(C)[C@H]1CC[C@H]1NCc1ncccn1 ZINC000578644322 366618066 /nfs/dbraw/zinc/61/80/66/366618066.db2.gz VXSQJSFZDCQBKR-GHMZBOCLSA-N 0 1 205.305 2.001 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C[C@H]1CCCC[C@@H]1C ZINC000578650016 366619019 /nfs/dbraw/zinc/61/90/19/366619019.db2.gz ZYTYKLIMMCZGBT-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N(C)CC[C@@H](C)F ZINC000451256213 202389539 /nfs/dbraw/zinc/38/95/39/202389539.db2.gz DUENQQUBHVOZHA-GHMZBOCLSA-N 0 1 233.327 2.254 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@@H]2C2CC2)s1 ZINC000309172159 491145843 /nfs/dbraw/zinc/14/58/43/491145843.db2.gz LQHSTFOTWKOUQK-ZJUUUORDSA-N 0 1 223.345 2.125 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2[nH]nnc2c1)C1CCC1 ZINC000578731811 366633942 /nfs/dbraw/zinc/63/39/42/366633942.db2.gz HQIYMXVHSHFHCF-MRVPVSSYSA-N 0 1 244.298 2.333 20 0 BEADMN CCNC(=O)CNCc1ccc(CC(C)C)cc1 ZINC000088296536 359946055 /nfs/dbraw/zinc/94/60/55/359946055.db2.gz RUJBXRZSPNQOKC-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN CC[C@@H](C)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000088494011 359962961 /nfs/dbraw/zinc/96/29/61/359962961.db2.gz PZSHYTFFCREYJY-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN CCc1cc(C(=O)NCc2cnc[nH]2)sc1C ZINC000088753031 359976199 /nfs/dbraw/zinc/97/61/99/359976199.db2.gz OVXILJVVFBOXSY-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CCC(C)(C)C ZINC000578931459 366675885 /nfs/dbraw/zinc/67/58/85/366675885.db2.gz ZKWOLTQSEKLGOT-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)[N@@H+](CC[C@@H]1CCC[C@H](C)C1)CC(N)=O ZINC000089101521 359989838 /nfs/dbraw/zinc/98/98/38/359989838.db2.gz GQQCQNYCKUNVQA-STQMWFEESA-N 0 1 240.391 2.399 20 0 BEADMN CCCCCc1cc(C(=O)N2C[C@@H]3C[C@@H]3C2)n[nH]1 ZINC000628520065 360008221 /nfs/dbraw/zinc/00/82/21/360008221.db2.gz IZCMYSRAOXWQIR-PHIMTYICSA-N 0 1 247.342 2.234 20 0 BEADMN Cc1ncccc1CNCc1ccncc1 ZINC000309276440 491146946 /nfs/dbraw/zinc/14/69/46/491146946.db2.gz SVBJQNPHKMGVBZ-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CC[C@@H](C)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000089679844 360033865 /nfs/dbraw/zinc/03/38/65/360033865.db2.gz WNPJEJVLTHDXCQ-SSDOTTSWSA-N 0 1 239.344 2.389 20 0 BEADMN CC[C@@H](C)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000089679844 360033869 /nfs/dbraw/zinc/03/38/69/360033869.db2.gz WNPJEJVLTHDXCQ-SSDOTTSWSA-N 0 1 239.344 2.389 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090970023 360094972 /nfs/dbraw/zinc/09/49/72/360094972.db2.gz QEMNTCWJRSMAGQ-UTUOFQBUSA-N 0 1 236.363 2.120 20 0 BEADMN CCn1cncc1CN[C@@H](C)c1cccc(O)c1 ZINC000090171997 360061147 /nfs/dbraw/zinc/06/11/47/360061147.db2.gz ROIODNONXVPENU-NSHDSACASA-N 0 1 245.326 2.459 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000612841029 360103583 /nfs/dbraw/zinc/10/35/83/360103583.db2.gz WJBVUHXSXBCJJE-WDEREUQCSA-N 0 1 249.358 2.065 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000612841028 360103841 /nfs/dbraw/zinc/10/38/41/360103841.db2.gz WJBVUHXSXBCJJE-QWRGUYRKSA-N 0 1 249.358 2.065 20 0 BEADMN CS[C@@H]1CCCC[N@H+](Cc2c[nH]cn2)C1 ZINC000092064115 360148423 /nfs/dbraw/zinc/14/84/23/360148423.db2.gz SREWIXIZYLOOFM-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000092064115 360148425 /nfs/dbraw/zinc/14/84/25/360148425.db2.gz SREWIXIZYLOOFM-LLVKDONJSA-N 0 1 225.361 2.127 20 0 BEADMN CCc1nn(C)cc1CNCc1ccc(F)cc1 ZINC000092353970 360164624 /nfs/dbraw/zinc/16/46/24/360164624.db2.gz KGVZLFZTZQRSRF-UHFFFAOYSA-N 0 1 247.317 2.411 20 0 BEADMN CSCCN(C)Cc1cccc2c1OCO2 ZINC000093509465 360254232 /nfs/dbraw/zinc/25/42/32/360254232.db2.gz JNZQTJBCNTYUIY-UHFFFAOYSA-N 0 1 239.340 2.210 20 0 BEADMN CCCO[C@@H]1CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC000093317140 360229477 /nfs/dbraw/zinc/22/94/77/360229477.db2.gz ZVYWGOMWVOJNAN-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN CCCO[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC000093317140 360229478 /nfs/dbraw/zinc/22/94/78/360229478.db2.gz ZVYWGOMWVOJNAN-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN CCCO[C@@H]1CCCN(Cc2c[nH]cn2)CC1 ZINC000093317140 360229479 /nfs/dbraw/zinc/22/94/79/360229479.db2.gz ZVYWGOMWVOJNAN-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN C[C@@H]1CCN(Cc2ccccc2F)C[C@@H]1O ZINC000093342589 360234785 /nfs/dbraw/zinc/23/47/85/360234785.db2.gz JBJGCCWIROSJIU-MFKMUULPSA-N 0 1 223.291 2.028 20 0 BEADMN CCO[C@H]1C[C@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093605256 360263004 /nfs/dbraw/zinc/26/30/04/360263004.db2.gz RZMLVDZBTLZJFS-RYUDHWBXSA-N 0 1 237.347 2.045 20 0 BEADMN Cc1ccnc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000095862808 360340167 /nfs/dbraw/zinc/34/01/67/360340167.db2.gz AWDSGBFRUXOLAY-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903981 360382426 /nfs/dbraw/zinc/38/24/26/360382426.db2.gz MKKNIZZYOXAIIY-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CN(CCC(F)(F)F)C[C@H]1CCCO1 ZINC000098136908 360390161 /nfs/dbraw/zinc/39/01/61/360390161.db2.gz MRNFSTJVWFMAAI-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN COC[C@@H](C)NCc1nc2c(s1)CCCC2 ZINC000309465837 491149777 /nfs/dbraw/zinc/14/97/77/491149777.db2.gz PHOMQKYJBZINBT-SECBINFHSA-N 0 1 240.372 2.146 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CCCC12CC2 ZINC000631193563 360599733 /nfs/dbraw/zinc/59/97/33/360599733.db2.gz QJEHLHXZYOUPHZ-LLVKDONJSA-N 0 1 234.347 2.281 20 0 BEADMN O=C(c1c(O)cccc1F)N(C1CC1)C1CC1 ZINC000628815700 360667818 /nfs/dbraw/zinc/66/78/18/360667818.db2.gz WAAOUWAYIUPMMV-UHFFFAOYSA-N 0 1 235.258 2.298 20 0 BEADMN Cc1cccc([C@H](NC(=O)CN(C)C)C(C)C)c1 ZINC000628970375 360777870 /nfs/dbraw/zinc/77/78/70/360777870.db2.gz IAYSWZXRGOAMDP-OAHLLOKOSA-N 0 1 248.370 2.370 20 0 BEADMN C/C=C/CNC(=O)c1sccc1CN(C)C ZINC000629035882 360801923 /nfs/dbraw/zinc/80/19/23/360801923.db2.gz FIAAMVRNMFNJLV-SNAWJCMRSA-N 0 1 238.356 2.116 20 0 BEADMN C[C@H]1SCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC000579016027 366683834 /nfs/dbraw/zinc/68/38/34/366683834.db2.gz LJEJPLVPWLXQMX-VHSXEESVSA-N 0 1 243.372 2.067 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@H]1C[C@H]1C ZINC000629096737 360876531 /nfs/dbraw/zinc/87/65/31/360876531.db2.gz TVPAVEYFTVFKGD-HTQZYQBOSA-N 0 1 227.333 2.142 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@]23C[C@H]2CCCC3)c1C ZINC000634085160 360895608 /nfs/dbraw/zinc/89/56/08/360895608.db2.gz IILJXJLNPYSJAH-ZWNOBZJWSA-N 0 1 233.315 2.089 20 0 BEADMN CC(C)(Cc1nc(C2(N)CCC2)no1)C1CC1 ZINC000414627173 219881318 /nfs/dbraw/zinc/88/13/18/219881318.db2.gz LFFHMYQCFRUGQY-UHFFFAOYSA-N 0 1 235.331 2.386 20 0 BEADMN Cn1c(=O)[nH]nc1SCC1CC(C)(C)C1 ZINC000629357071 361000307 /nfs/dbraw/zinc/00/03/07/361000307.db2.gz SPUUPKURMCHTBT-UHFFFAOYSA-N 0 1 227.333 2.049 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000629360278 361006258 /nfs/dbraw/zinc/00/62/58/361006258.db2.gz NHDPHLBIIBNNHX-LERXQTSPSA-N 0 1 245.322 2.154 20 0 BEADMN CC1(C)CC(C[N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000629360362 361004840 /nfs/dbraw/zinc/00/48/40/361004840.db2.gz OOJYFVNYUOPYAT-UHFFFAOYSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629364383 361006984 /nfs/dbraw/zinc/00/69/84/361006984.db2.gz NEJZIRLWVCEHDG-GWCFXTLKSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000629361201 361010075 /nfs/dbraw/zinc/01/00/75/361010075.db2.gz ALUCNFNAFDKEDR-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629365075 361019307 /nfs/dbraw/zinc/01/93/07/361019307.db2.gz SNXLVUQYZBBPRD-YIZRAAEISA-N 0 1 235.274 2.073 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC2)[C@H]2CCC[C@@H]21 ZINC000629372937 361022352 /nfs/dbraw/zinc/02/23/52/361022352.db2.gz FOPLBHQVTBJGNQ-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CCCN1c1cc[nH+]cc1Cl ZINC000629381119 361028159 /nfs/dbraw/zinc/02/81/59/361028159.db2.gz AOEQTPJTDVNTLU-QMMMGPOBSA-N 0 1 240.690 2.179 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H](C)CCCCO)s1 ZINC000309658964 491153871 /nfs/dbraw/zinc/15/38/71/491153871.db2.gz BBPXWTIEIGCKEJ-RKDXNWHRSA-N 0 1 243.376 2.048 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000629489433 361094940 /nfs/dbraw/zinc/09/49/40/361094940.db2.gz HLAMTMNYXCFWOW-ONGXEEELSA-N 0 1 247.285 2.217 20 0 BEADMN CC[N@@H+](Cc1ccc(C)c(F)c1)[C@H](C)C(=O)[O-] ZINC000629490083 361095085 /nfs/dbraw/zinc/09/50/85/361095085.db2.gz OMUSMSSRIYNAMB-SNVBAGLBSA-N 0 1 239.290 2.429 20 0 BEADMN CC(C)CCC(=O)Nc1cccc2[nH]nnc21 ZINC000640379553 361188789 /nfs/dbraw/zinc/18/87/89/361188789.db2.gz GZVWBFKMUZFEBG-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN O=C(C[C@H]1C=CCC1)Nc1cccc2[nH]nnc21 ZINC000640378980 361190930 /nfs/dbraw/zinc/19/09/30/361190930.db2.gz ARSUIAKQVBOPME-VIFPVBQESA-N 0 1 242.282 2.253 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640379112 361191286 /nfs/dbraw/zinc/19/12/86/361191286.db2.gz JPAMGMBITWKUSO-MRVPVSSYSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2[nH]nnc21)C1CCC1 ZINC000640378719 361191410 /nfs/dbraw/zinc/19/14/10/361191410.db2.gz FVEJKWOGZICJGJ-MRVPVSSYSA-N 0 1 244.298 2.333 20 0 BEADMN CC1(CC(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000640379370 361192068 /nfs/dbraw/zinc/19/20/68/361192068.db2.gz GENUPWFTLVEDCH-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN Cc1nocc1NC(=O)c1cc(C2CC2)no1 ZINC000640485428 361279170 /nfs/dbraw/zinc/27/91/70/361279170.db2.gz HIDMGXCJXPEUAM-UHFFFAOYSA-N 0 1 233.227 2.101 20 0 BEADMN Cc1nocc1NC(=O)c1c[nH]nc1C(C)(C)C ZINC000640488886 361281884 /nfs/dbraw/zinc/28/18/84/361281884.db2.gz ZGTQECDDEPMEFL-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CC[N@@H+](CCC(C)(C)CC)CC(=O)[O-] ZINC000579240271 366743492 /nfs/dbraw/zinc/74/34/92/366743492.db2.gz HZJSIHIAEYCUMN-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C2CCCC2)C[C@@H]1C ZINC000640604521 361328952 /nfs/dbraw/zinc/32/89/52/361328952.db2.gz CTLIQWVEHYKRLY-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000428431484 201014687 /nfs/dbraw/zinc/01/46/87/201014687.db2.gz UHTLAMABIFEMBY-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCCCO2)cn1 ZINC000428456071 201020013 /nfs/dbraw/zinc/02/00/13/201020013.db2.gz GYJJMLGOTQNIBG-QWHCGFSZSA-N 0 1 249.358 2.347 20 0 BEADMN CCN(Cc1n[nH]c(C(C)C)n1)C(C)C ZINC000428468892 201021503 /nfs/dbraw/zinc/02/15/03/201021503.db2.gz HGQDNLYULNLBKJ-UHFFFAOYSA-N 0 1 210.325 2.158 20 0 BEADMN CCCCN(C)Cc1n[nH]c(C(C)C)n1 ZINC000428474433 201022033 /nfs/dbraw/zinc/02/20/33/201022033.db2.gz RYUFWDUCJICLRG-UHFFFAOYSA-N 0 1 210.325 2.160 20 0 BEADMN CCCN(CC)Cc1n[nH]c(C(C)C)n1 ZINC000428468640 201022206 /nfs/dbraw/zinc/02/22/06/201022206.db2.gz PGWSPBPFAOIQIQ-UHFFFAOYSA-N 0 1 210.325 2.160 20 0 BEADMN COc1cccc(C[C@H](C)NCc2cocn2)c1 ZINC000428875766 201047191 /nfs/dbraw/zinc/04/71/91/201047191.db2.gz WWYURPBEVQQGOQ-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN C[C@@H](Cc1cccc(O)c1)NCc1cocn1 ZINC000428891895 201048033 /nfs/dbraw/zinc/04/80/33/201048033.db2.gz ZHKCRNVSMISJEL-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN CO[C@]1(C)CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428940622 201050335 /nfs/dbraw/zinc/05/03/35/201050335.db2.gz QWQWJZJTQNPUKI-GXTWGEPZSA-N 0 1 249.358 2.347 20 0 BEADMN CC(C)c1cc(=O)n(CC2CCCC2)[nH]1 ZINC000614189480 363750222 /nfs/dbraw/zinc/75/02/22/363750222.db2.gz MNGRHYZJQVBMBF-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN CCN1[C@H](C)CN(C(=O)C2(CC)CC2)C[C@@H]1C ZINC000640614230 361330783 /nfs/dbraw/zinc/33/07/83/361330783.db2.gz PRRZYXLGDHWQFA-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN CCCc1nc(C)c(CN(C)CCCCO)o1 ZINC000428951751 201051373 /nfs/dbraw/zinc/05/13/73/201051373.db2.gz APNLBBLDPPXZTG-UHFFFAOYSA-N 0 1 240.347 2.140 20 0 BEADMN C[C@H]1CCCC[C@H]1OCCNCc1ncc[nH]1 ZINC000067692455 370694624 /nfs/dbraw/zinc/69/46/24/370694624.db2.gz FDRRETCHNKCHOW-NWDGAFQWSA-N 0 1 237.347 2.095 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cocn1 ZINC000428849016 201042694 /nfs/dbraw/zinc/04/26/94/201042694.db2.gz JKYPJFNNGGPMCP-STQMWFEESA-N 0 1 238.331 2.358 20 0 BEADMN CC[C@H](COCC1CC1)NCc1cc(C)no1 ZINC000631170170 361368879 /nfs/dbraw/zinc/36/88/79/361368879.db2.gz NKUXGFIWQZBQTQ-GFCCVEGCSA-N 0 1 238.331 2.278 20 0 BEADMN CCc1nc(C)c(CN(CC)[C@@H]2CCOC2)o1 ZINC000428959854 201052755 /nfs/dbraw/zinc/05/27/55/201052755.db2.gz HMNZQRDETYAJGB-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CC[C@H]1CN([C@H](C)c2cnc(C)cn2)CCCO1 ZINC000428970772 201056358 /nfs/dbraw/zinc/05/63/58/201056358.db2.gz UXNWHMLEVLZSFF-OLZOCXBDSA-N 0 1 249.358 2.347 20 0 BEADMN CC(C)CCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000429056104 201060743 /nfs/dbraw/zinc/06/07/43/201060743.db2.gz YASRCWKZLQDWKA-VXGBXAGGSA-N 0 1 249.420 2.176 20 0 BEADMN C[C@@H](N[C@H](CO)CC(F)F)c1ccccc1F ZINC000429463950 201110795 /nfs/dbraw/zinc/11/07/95/201110795.db2.gz IEYNZNZDGHGKJE-BDAKNGLRSA-N 0 1 247.260 2.492 20 0 BEADMN CCCN(CCCF)[C@@H](C)C(=O)OCC ZINC000429704072 201125569 /nfs/dbraw/zinc/12/55/69/201125569.db2.gz UEHOWWFZPHPCQB-JTQLQIEISA-N 0 1 219.300 2.010 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(Cl)o1 ZINC000163439672 361479748 /nfs/dbraw/zinc/47/97/48/361479748.db2.gz ZJYROHLLIZMXHW-DTWKUNHWSA-N 0 1 229.707 2.182 20 0 BEADMN CC[C@@H]1CCN1Cc1cnn(CC(F)(F)F)c1 ZINC000430208212 201154487 /nfs/dbraw/zinc/15/44/87/201154487.db2.gz SUXSNQGKLJQRIU-SNVBAGLBSA-N 0 1 247.264 2.430 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCCC2(CC2)CC1 ZINC000629644402 361532835 /nfs/dbraw/zinc/53/28/35/361532835.db2.gz XHHQGEKOLNSLSQ-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN CCC[C@@H](OCC)c1nc([C@@H]2CCCN2)no1 ZINC000629675317 361598554 /nfs/dbraw/zinc/59/85/54/361598554.db2.gz PDKGBPZNDOAKLO-VHSXEESVSA-N 0 1 239.319 2.372 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1ncnn1C(C)C ZINC000434487646 201221053 /nfs/dbraw/zinc/22/10/53/201221053.db2.gz XNZDGHDRWGNCIK-NEPJUHHUSA-N 0 1 236.363 2.479 20 0 BEADMN CC(C)n1ncnc1CN(C)C(C1CC1)C1CC1 ZINC000434533333 201225166 /nfs/dbraw/zinc/22/51/66/201225166.db2.gz ALICIUJRFZKSIH-UHFFFAOYSA-N 0 1 248.374 2.479 20 0 BEADMN CCCc1noc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000153269092 201229030 /nfs/dbraw/zinc/22/90/30/201229030.db2.gz NRQDMCSYTRRYFP-QWRGUYRKSA-N 0 1 235.331 2.254 20 0 BEADMN C(SCC1CCCCC1)c1nn[nH]n1 ZINC000435231795 201257068 /nfs/dbraw/zinc/25/70/68/201257068.db2.gz ZVCXFAJETBBLSA-UHFFFAOYSA-N 0 1 212.322 2.013 20 0 BEADMN CC(C)Cc1noc(CN2CC[C@H](C)[C@H]2C)n1 ZINC000177888890 134304069 /nfs/dbraw/zinc/30/40/69/134304069.db2.gz UZZPPNMYAMLCGR-WDEREUQCSA-N 0 1 237.347 2.498 20 0 BEADMN CCc1cccc(F)c1CN(C)C1(CO)CC1 ZINC000668799796 491160473 /nfs/dbraw/zinc/16/04/73/491160473.db2.gz ZLBSEAWTYPNOTA-UHFFFAOYSA-N 0 1 237.318 2.345 20 0 BEADMN Nc1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000435907289 201298334 /nfs/dbraw/zinc/29/83/34/201298334.db2.gz JPOILHASUZKFGP-UHFFFAOYSA-N 0 1 244.298 2.047 20 0 BEADMN FCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000436315543 201321476 /nfs/dbraw/zinc/32/14/76/201321476.db2.gz PVSFQIPYRFCGBA-CQSZACIVSA-N 0 1 245.301 2.320 20 0 BEADMN FCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000436315542 201321627 /nfs/dbraw/zinc/32/16/27/201321627.db2.gz PVSFQIPYRFCGBA-AWEZNQCLSA-N 0 1 245.301 2.320 20 0 BEADMN Cc1ccc(CNCc2ccc(C)nc2)cn1 ZINC000155437421 201331081 /nfs/dbraw/zinc/33/10/81/201331081.db2.gz WHCFAKFEOMYULN-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN CCCN(CCC)C(=O)CN1CCC=C(C)C1 ZINC000436260365 201317680 /nfs/dbraw/zinc/31/76/80/201317680.db2.gz HUESQMCNUIJKEL-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN Cc1nc([C@H](C)NCC2(O)CCCC2)cs1 ZINC000083463904 491161840 /nfs/dbraw/zinc/16/18/40/491161840.db2.gz PPVGRAKDFBXUSC-VIFPVBQESA-N 0 1 240.372 2.407 20 0 BEADMN CCCn1cc(CN2CCC=C(C)C2)cn1 ZINC000437348050 201352193 /nfs/dbraw/zinc/35/21/93/201352193.db2.gz QLISBFGQXKSDIJ-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN CN(Cc1ccc(Cl)cc1F)C1CC(O)C1 ZINC000437980959 201379682 /nfs/dbraw/zinc/37/96/82/201379682.db2.gz SGVYQWFZIPRSMS-UHFFFAOYSA-N 0 1 243.709 2.434 20 0 BEADMN CCN(CC(=O)N[C@@](C)(CC)C1CC1)C1CC1 ZINC000618952908 363914485 /nfs/dbraw/zinc/91/44/85/363914485.db2.gz BOBHAGYHCCJSRR-AWEZNQCLSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cccnc1 ZINC000630405815 364137480 /nfs/dbraw/zinc/13/74/80/364137480.db2.gz MKOMUTMISBHIJA-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CCNCc1cn([C@H]2CCC(C)(C)C2)nn1 ZINC000630602304 364319270 /nfs/dbraw/zinc/31/92/70/364319270.db2.gz BOKKLLHWVJQJQO-NSHDSACASA-N 0 1 222.336 2.139 20 0 BEADMN CCCc1ccc(Cn2ccnc2CN)cc1 ZINC000630584136 364287434 /nfs/dbraw/zinc/28/74/34/364287434.db2.gz RAZAGUZXQTXEGP-UHFFFAOYSA-N 0 1 229.327 2.343 20 0 BEADMN NCc1nccn1CC1CCCCCC1 ZINC000630584089 364288004 /nfs/dbraw/zinc/28/80/04/364288004.db2.gz PYNXXZWUJNAHTF-UHFFFAOYSA-N 0 1 207.321 2.312 20 0 BEADMN CC(C)Oc1ccccc1Cn1ccnc1CN ZINC000630583232 364289333 /nfs/dbraw/zinc/28/93/33/364289333.db2.gz BSKSFCJTTRZIBK-UHFFFAOYSA-N 0 1 245.326 2.177 20 0 BEADMN NCc1nccn1CCCc1cccc(F)c1 ZINC000630584400 364290377 /nfs/dbraw/zinc/29/03/77/364290377.db2.gz VDLIEXLKPWRSIY-UHFFFAOYSA-N 0 1 233.290 2.114 20 0 BEADMN COC(=O)[C@H]1CCCN1CCCC(C)C ZINC000135670125 364447487 /nfs/dbraw/zinc/44/74/87/364447487.db2.gz YIYNPNPNFSQVLH-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000134735673 364412752 /nfs/dbraw/zinc/41/27/52/364412752.db2.gz UZIFCWZJFAGQGX-DTWKUNHWSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@H](O)[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000134735712 364413281 /nfs/dbraw/zinc/41/32/81/364413281.db2.gz UZIFCWZJFAGQGX-IUCAKERBSA-N 0 1 229.707 2.136 20 0 BEADMN CC[C@@](C)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC000618962766 364423671 /nfs/dbraw/zinc/42/36/71/364423671.db2.gz XHAXTMSBBOSELZ-CYBMUJFWSA-N 0 1 235.331 2.037 20 0 BEADMN Cc1ncncc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631754070 364663408 /nfs/dbraw/zinc/66/34/08/364663408.db2.gz ZSXMTDKAPAIBFV-FXBDTBDDSA-N 0 1 245.248 2.386 20 0 BEADMN CC(C)(C)CCc1nc([C@@H]2CCCN2)no1 ZINC000300766361 541375689 /nfs/dbraw/zinc/37/56/89/541375689.db2.gz DSCPCYIJJDTDER-VIFPVBQESA-N 0 1 223.320 2.473 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000167592560 364799080 /nfs/dbraw/zinc/79/90/80/364799080.db2.gz WJWSBRBKOHVWAZ-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1nc(C)c(C)o1 ZINC000573328753 364800549 /nfs/dbraw/zinc/80/05/49/364800549.db2.gz XNUIGBKYAVTSKQ-BXKDBHETSA-N 0 1 240.347 2.178 20 0 BEADMN CCc1nc(CNCc2ccc(C)c(F)c2)n[nH]1 ZINC000296207508 364782363 /nfs/dbraw/zinc/78/23/63/364782363.db2.gz ZOJZBYQGQODBRO-UHFFFAOYSA-N 0 1 248.305 2.104 20 0 BEADMN CCn1ccnc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000573357307 364809008 /nfs/dbraw/zinc/80/90/08/364809008.db2.gz ZVYYHHJJRIMJLZ-NWDGAFQWSA-N 0 1 219.332 2.181 20 0 BEADMN CC(=O)[C@H](Sc1nc(C2CC2)n[nH]1)C(C)C ZINC000573368613 364811626 /nfs/dbraw/zinc/81/16/26/364811626.db2.gz PDFAJSAJWLMBNB-SECBINFHSA-N 0 1 239.344 2.388 20 0 BEADMN CC(=O)[C@H](Sc1n[nH]c(C2CC2)n1)C(C)C ZINC000573368613 364811632 /nfs/dbraw/zinc/81/16/32/364811632.db2.gz PDFAJSAJWLMBNB-SECBINFHSA-N 0 1 239.344 2.388 20 0 BEADMN C[C@]1(F)CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000573375987 364814603 /nfs/dbraw/zinc/81/46/03/364814603.db2.gz DPWIXQGUHJJGJP-AGIUHOORSA-N 0 1 229.339 2.362 20 0 BEADMN CC(C)c1noc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000573451381 364836360 /nfs/dbraw/zinc/83/63/60/364836360.db2.gz BYVBFGYKQZUNRM-OUAUKWLOSA-N 0 1 235.331 2.471 20 0 BEADMN Cc1nnsc1CN(C)CC1CCC1 ZINC000573449284 364836590 /nfs/dbraw/zinc/83/65/90/364836590.db2.gz PSSKXINHTWASNT-UHFFFAOYSA-N 0 1 211.334 2.078 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1[C@H]1C=CCCC1 ZINC000299999775 364840573 /nfs/dbraw/zinc/84/05/73/364840573.db2.gz OPNZHIIIWQLQQZ-RVMXOQNASA-N 0 1 235.327 2.280 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000261857603 541402264 /nfs/dbraw/zinc/40/22/64/541402264.db2.gz OEAXFFRGCAPUIN-JTQLQIEISA-N 0 1 233.311 2.253 20 0 BEADMN CCC(C)(C)N(C)Cc1snnc1C ZINC000573974014 364958921 /nfs/dbraw/zinc/95/89/21/364958921.db2.gz YWVACFYIPBCSLK-UHFFFAOYSA-N 0 1 213.350 2.467 20 0 BEADMN C[C@H](O)CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000574010559 364965046 /nfs/dbraw/zinc/96/50/46/364965046.db2.gz AIQSCPIQWDUSKH-ZFWWWQNUSA-N 0 1 249.354 2.005 20 0 BEADMN CCCN(Cc1cnccn1)C[C@@H]1CCCCO1 ZINC000574017973 364968102 /nfs/dbraw/zinc/96/81/02/364968102.db2.gz MITMRDABBJUODX-AWEZNQCLSA-N 0 1 249.358 2.258 20 0 BEADMN c1[nH]nc2c1CCN(CCc1ccccc1)C2 ZINC000150279786 541430326 /nfs/dbraw/zinc/43/03/26/541430326.db2.gz OLPXNPQCUWLAPH-UHFFFAOYSA-N 0 1 227.311 2.011 20 0 BEADMN CCc1nnc(CN[C@H]2CC3CCC2CC3)o1 ZINC000574139410 364994194 /nfs/dbraw/zinc/99/41/94/364994194.db2.gz GDZMLZWEUZWPCJ-ILDUYXDCSA-N 0 1 235.331 2.300 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000574213462 365012452 /nfs/dbraw/zinc/01/24/52/365012452.db2.gz UGWIBBCGTYSELZ-UHFFFAOYSA-N 0 1 249.285 2.049 20 0 BEADMN Cc1n[n-]c(=[NH+]c2ccccc2C)n1C1CC1 ZINC000574333582 365039839 /nfs/dbraw/zinc/03/98/39/365039839.db2.gz WYZZUZAGXIGGAT-UHFFFAOYSA-N 0 1 228.299 2.395 20 0 BEADMN CCN(C(=O)[C@H](C)N1CC(C)C1)[C@@H](C)C(C)C ZINC000574582983 365096733 /nfs/dbraw/zinc/09/67/33/365096733.db2.gz PLKGLMIKCNNJBB-STQMWFEESA-N 0 1 240.391 2.220 20 0 BEADMN CC(=O)c1cc(CN(C)C2CCCC2)on1 ZINC000574867912 365162131 /nfs/dbraw/zinc/16/21/31/365162131.db2.gz HADHJVIOSCBNII-UHFFFAOYSA-N 0 1 222.288 2.252 20 0 BEADMN CCc1cccc(F)c1CN(C)CCCO ZINC000442971370 193008148 /nfs/dbraw/zinc/00/81/48/193008148.db2.gz YCYGGSDATHCQEQ-UHFFFAOYSA-N 0 1 225.307 2.202 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCCC[C@@H]1C ZINC000574769074 365141214 /nfs/dbraw/zinc/14/12/14/365141214.db2.gz RTLZOXVDPJGNCS-RYUDHWBXSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCCC[C@H]1C ZINC000574769075 365141818 /nfs/dbraw/zinc/14/18/18/365141818.db2.gz RTLZOXVDPJGNCS-VXGBXAGGSA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1coc(CN)c1 ZINC000444130847 193036144 /nfs/dbraw/zinc/03/61/44/193036144.db2.gz NCZIHQYTKPYDQE-NXEZZACHSA-N 0 1 238.331 2.293 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1coc(CN)c1 ZINC000444130848 193036701 /nfs/dbraw/zinc/03/67/01/193036701.db2.gz NCZIHQYTKPYDQE-UWVGGRQHSA-N 0 1 238.331 2.293 20 0 BEADMN CN(CC(=O)Nc1ccccc1)CC1CCC1 ZINC000171971873 365264114 /nfs/dbraw/zinc/26/41/14/365264114.db2.gz NRVWTOFDNODHQV-UHFFFAOYSA-N 0 1 232.327 2.357 20 0 BEADMN CCCNC(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172032870 365278583 /nfs/dbraw/zinc/27/85/83/365278583.db2.gz UAKAHOOLZWTIIS-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1ncccn1 ZINC000192214580 365283488 /nfs/dbraw/zinc/28/34/88/365283488.db2.gz KXBONKIDJRONHD-NEPJUHHUSA-N 0 1 219.332 2.487 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)c1cc[nH]n1 ZINC000172108838 365294348 /nfs/dbraw/zinc/29/43/48/365294348.db2.gz PTGSOVYMZTZLGR-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN CC/C=C/CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000575412595 365314462 /nfs/dbraw/zinc/31/44/62/365314462.db2.gz GRDKJFQHYUJZCK-PGLGOXFNSA-N 0 1 211.305 2.282 20 0 BEADMN CC(=O)c1cccc(C[N@H+](C)[C@@H](C)CC(=O)[O-])c1 ZINC000575430530 365320721 /nfs/dbraw/zinc/32/07/21/365320721.db2.gz BQASCLRCFGTBRM-JTQLQIEISA-N 0 1 249.310 2.184 20 0 BEADMN C[C@H]1CN(CCOC2CCC2)CC2(CCC2)O1 ZINC000575744888 365349269 /nfs/dbraw/zinc/34/92/69/365349269.db2.gz FYYHIRLRWXUCRC-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000575929242 365418833 /nfs/dbraw/zinc/41/88/33/365418833.db2.gz UJCDDRLQRNOKRQ-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CN(C)C1(C(=O)NCCC(C)(C)C2CC2)CC1 ZINC000615400869 365403322 /nfs/dbraw/zinc/40/33/22/365403322.db2.gz XRXKOZHCIRXTCF-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000576148002 365500057 /nfs/dbraw/zinc/50/00/57/365500057.db2.gz XFKZQWPUKQVFOY-LBPRGKRZSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000576148002 365500058 /nfs/dbraw/zinc/50/00/58/365500058.db2.gz XFKZQWPUKQVFOY-LBPRGKRZSA-N 0 1 220.316 2.408 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000579615022 366910230 /nfs/dbraw/zinc/91/02/30/366910230.db2.gz UWUWBWLXXGCYCC-WCABBAIRSA-N 0 1 247.285 2.217 20 0 BEADMN CCCCOCCN[C@@H](CC)c1nccn1C ZINC000182677262 366930749 /nfs/dbraw/zinc/93/07/49/366930749.db2.gz QNJODEGVBXYPAD-LBPRGKRZSA-N 0 1 239.363 2.278 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000156095079 541485306 /nfs/dbraw/zinc/48/53/06/541485306.db2.gz OXCKFESEYBZYLF-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000156095187 541485573 /nfs/dbraw/zinc/48/55/73/541485573.db2.gz OXCKFESEYBZYLF-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CN(Cc1ccsc1)Cc1ccnc(N)c1 ZINC000052720478 541514312 /nfs/dbraw/zinc/51/43/12/541514312.db2.gz RWLMJHDSHICCRD-UHFFFAOYSA-N 0 1 233.340 2.357 20 0 BEADMN CC[C@]1(NCc2ccn(C(C)C)n2)CCOC1 ZINC000383090845 541513744 /nfs/dbraw/zinc/51/37/44/541513744.db2.gz LHOQJOZVKFIGDX-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H]1SCC[N@@H+](Cc2ncccc2O)[C@H]1C ZINC000579764342 367002634 /nfs/dbraw/zinc/00/26/34/367002634.db2.gz UWBISNDXGDUXBW-UWVGGRQHSA-N 0 1 238.356 2.113 20 0 BEADMN CCN([C@@H](C)Cc1ccsc1)C1COC1 ZINC000579917691 367079504 /nfs/dbraw/zinc/07/95/04/367079504.db2.gz KNQGQQXNXYIHQF-JTQLQIEISA-N 0 1 225.357 2.400 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NCc1nccn1C ZINC000453621875 202786704 /nfs/dbraw/zinc/78/67/04/202786704.db2.gz YTTDMGHUETUFFG-YPMHNXCESA-N 0 1 221.348 2.334 20 0 BEADMN CC(C)C[C@H]1CCN([C@@H](C)c2nccc(N)n2)C1 ZINC000580841493 367185583 /nfs/dbraw/zinc/18/55/83/367185583.db2.gz PRAQQPOOVUWKSH-NWDGAFQWSA-N 0 1 248.374 2.318 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3occc3C(=O)[O-])C[C@@H]21 ZINC000380442006 367209039 /nfs/dbraw/zinc/20/90/39/367209039.db2.gz GIGKWZQQTFFUNR-AOOOYVTPSA-N 0 1 235.283 2.066 20 0 BEADMN Cc1csc(CN2CCC(CCO)CC2)n1 ZINC000380455317 367211040 /nfs/dbraw/zinc/21/10/40/367211040.db2.gz IGQGLEOWGIWNCI-UHFFFAOYSA-N 0 1 240.372 2.046 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@@H]1C(=O)[O-] ZINC000581071236 367252335 /nfs/dbraw/zinc/25/23/35/367252335.db2.gz HUWPJMBWICVYDM-UPJWGTAASA-N 0 1 237.343 2.385 20 0 BEADMN CCN(CC(N)=O)Cc1ccc(C(C)C)cc1 ZINC000194993598 367330363 /nfs/dbraw/zinc/33/03/63/367330363.db2.gz QAZVCSKGKUHHDI-UHFFFAOYSA-N 0 1 234.343 2.117 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCCCF)C1 ZINC000380757852 367296698 /nfs/dbraw/zinc/29/66/98/367296698.db2.gz VKNMQLUFSSTZOL-GFCCVEGCSA-N 0 1 231.311 2.169 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCCCF)[C@H](C(=O)[O-])C1 ZINC000380874470 367320412 /nfs/dbraw/zinc/32/04/12/367320412.db2.gz YJRLAQGDVDZZMV-MNOVXSKESA-N 0 1 231.311 2.311 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCCF)[C@H](C(=O)[O-])C1 ZINC000380874471 367320696 /nfs/dbraw/zinc/32/06/96/367320696.db2.gz YJRLAQGDVDZZMV-QWRGUYRKSA-N 0 1 231.311 2.311 20 0 BEADMN Clc1ccc(SCCc2c[nH]nn2)nc1 ZINC000581348530 367368979 /nfs/dbraw/zinc/36/89/79/367368979.db2.gz KGYVYDYSNVVODP-UHFFFAOYSA-N 0 1 240.719 2.188 20 0 BEADMN CCOC[C@@H]1CCC[C@@H]1NCC(C)(F)F ZINC000382176211 367493632 /nfs/dbraw/zinc/49/36/32/367493632.db2.gz YBVRMHDZOZKTHP-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000381607723 367437676 /nfs/dbraw/zinc/43/76/76/367437676.db2.gz OMJWBXWURYTRNS-NXEZZACHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@H]1CCCC1(F)F ZINC000381618063 367438877 /nfs/dbraw/zinc/43/88/77/367438877.db2.gz QSYKNJWFQOINGX-BBBLOLIVSA-N 0 1 247.285 2.217 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CCC=C(C)C1 ZINC000382505178 367531121 /nfs/dbraw/zinc/53/11/21/367531121.db2.gz VDULGCODMLOELH-LBPRGKRZSA-N 0 1 225.332 2.370 20 0 BEADMN CC(C)n1ccc(C[N@@H+](C)[C@H](C)C(C)(C)O)n1 ZINC000382789709 367557562 /nfs/dbraw/zinc/55/75/62/367557562.db2.gz GUBPRDFGPQICEN-LLVKDONJSA-N 0 1 239.363 2.055 20 0 BEADMN CC(C)n1ccc(CN(C)[C@H](C)C(C)(C)O)n1 ZINC000382789709 367557565 /nfs/dbraw/zinc/55/75/65/367557565.db2.gz GUBPRDFGPQICEN-LLVKDONJSA-N 0 1 239.363 2.055 20 0 BEADMN Cc1nc(C[N@H+](C)[C@@H](C)C(C)(C)O)sc1C ZINC000382789150 367557790 /nfs/dbraw/zinc/55/77/90/367557790.db2.gz GRKLGRGMQBTSES-JTQLQIEISA-N 0 1 242.388 2.351 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)C(C)(C)O)sc1C ZINC000382789150 367557794 /nfs/dbraw/zinc/55/77/94/367557794.db2.gz GRKLGRGMQBTSES-JTQLQIEISA-N 0 1 242.388 2.351 20 0 BEADMN Cc1cc(CNCC2(F)CC2)cc(C)n1 ZINC000581541926 367563230 /nfs/dbraw/zinc/56/32/30/367563230.db2.gz DSZKPTZLWPKMNK-UHFFFAOYSA-N 0 1 208.280 2.290 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CCC1)C1CCC1 ZINC000581619361 367639647 /nfs/dbraw/zinc/63/96/47/367639647.db2.gz OHIKZRKXTQRKKY-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN C[C@H](Cn1ccnc1CN)c1ccccc1 ZINC000384343396 367685702 /nfs/dbraw/zinc/68/57/02/367685702.db2.gz YEUCBGISNRTEFU-LLVKDONJSA-N 0 1 215.300 2.146 20 0 BEADMN COCC(COC)N[C@@H](C)c1ccccc1F ZINC000384866727 367745682 /nfs/dbraw/zinc/74/56/82/367745682.db2.gz PXTKMNFAUGHQSO-JTQLQIEISA-N 0 1 241.306 2.138 20 0 BEADMN Cc1ccnc(NC(=O)CN(C)CCC(C)C)c1 ZINC000069012685 370873323 /nfs/dbraw/zinc/87/33/23/370873323.db2.gz UEFCUUIYKKNZFI-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN Cc1nc(CN[C@H]2CSC2(C)C)[nH]c1C ZINC000581737383 367801549 /nfs/dbraw/zinc/80/15/49/367801549.db2.gz GLPWYDVUMUFPQU-VIFPVBQESA-N 0 1 225.361 2.010 20 0 BEADMN COc1cc(CNCCC(F)(F)F)sn1 ZINC000399178791 367851543 /nfs/dbraw/zinc/85/15/43/367851543.db2.gz NWIKARDUIUWUOK-UHFFFAOYSA-N 0 1 240.250 2.194 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NCc1cn(C(C)C)nn1 ZINC000385803927 367865864 /nfs/dbraw/zinc/86/58/64/367865864.db2.gz HBZFLQXBBMQKDU-DGCLKSJQSA-N 0 1 236.363 2.383 20 0 BEADMN CC[N@@H+](CCC1CC1)Cc1ccc(CO)o1 ZINC000385407369 367826302 /nfs/dbraw/zinc/82/63/02/367826302.db2.gz RGSKFAJPSCHZLQ-UHFFFAOYSA-N 0 1 223.316 2.394 20 0 BEADMN COc1cc(CNCCOC(C)(C)C)sn1 ZINC000399189323 367893900 /nfs/dbraw/zinc/89/39/00/367893900.db2.gz XAHLLGHWHQCELW-UHFFFAOYSA-N 0 1 244.360 2.056 20 0 BEADMN CCCC[C@@H](CC)C(=O)N1CCCN(C)CC1 ZINC000020495831 367970104 /nfs/dbraw/zinc/97/01/04/367970104.db2.gz VDZXIGCPIHVBQK-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN CCC[C@H](C)N(C)C(=O)c1cc(CC)[nH]n1 ZINC000032064776 368255233 /nfs/dbraw/zinc/25/52/33/368255233.db2.gz HJCPJKRQTYVGHG-VIFPVBQESA-N 0 1 223.320 2.233 20 0 BEADMN CC[C@H]1CCC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000615695117 368209667 /nfs/dbraw/zinc/20/96/67/368209667.db2.gz VRZJNNOZMMPZOJ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(CC1CCC1)NCc1ccc2nc[nH]c2c1 ZINC000615789995 368308793 /nfs/dbraw/zinc/30/87/93/368308793.db2.gz PLQYTMAYFRYUIJ-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN c1cncc(C[N@H+]2CC3CCC2CC3)c1 ZINC000223822314 368364610 /nfs/dbraw/zinc/36/46/10/368364610.db2.gz ILEYWELIKHZNSC-UHFFFAOYSA-N 0 1 202.301 2.456 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@H]1CCCCO1 ZINC000046407121 368442211 /nfs/dbraw/zinc/44/22/11/368442211.db2.gz JHLDZIDCTVIUJU-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@@H](CN(C)C(=O)c1ccn[nH]1)c1ccccc1 ZINC000066458739 368649826 /nfs/dbraw/zinc/64/98/26/368649826.db2.gz BLYBUDIFWKOECW-NSHDSACASA-N 0 1 243.310 2.285 20 0 BEADMN C[C@H](CN(C)C(=O)c1cnc[nH]1)c1ccccc1 ZINC000067177970 368681327 /nfs/dbraw/zinc/68/13/27/368681327.db2.gz CDOCNNGZEPOEKC-LLVKDONJSA-N 0 1 243.310 2.285 20 0 BEADMN C[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H]1CCCN1C ZINC000457243288 203025473 /nfs/dbraw/zinc/02/54/73/203025473.db2.gz GKSDOMLNPQJOSK-MBNYWOFBSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nc2c(n1C[C@@H]1CCO[C@H]1C)CCCC2 ZINC000631021020 370915769 /nfs/dbraw/zinc/91/57/69/370915769.db2.gz HMZNRPFZKAQFSA-JQWIXIFHSA-N 0 1 234.343 2.495 20 0 BEADMN CC(C)NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000072621183 368775474 /nfs/dbraw/zinc/77/54/74/368775474.db2.gz PZLUUFWMRCEDDW-LBPRGKRZSA-N 0 1 234.343 2.032 20 0 BEADMN CCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000070974305 368769147 /nfs/dbraw/zinc/76/91/47/368769147.db2.gz XXFVYGGFXYXUIK-CQSZACIVSA-N 0 1 246.354 2.177 20 0 BEADMN Fc1ccccc1CSc1cn[nH]n1 ZINC000071258584 368771695 /nfs/dbraw/zinc/77/16/95/368771695.db2.gz DPLVOTJDBRABHU-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)c1ccccc1 ZINC000083411078 368772884 /nfs/dbraw/zinc/77/28/84/368772884.db2.gz MMUQOCBJVBMHIY-LLVKDONJSA-N 0 1 221.300 2.197 20 0 BEADMN Cc1ccccc1CN(C)C(=O)CN(C)C1CC1 ZINC000073617243 368810924 /nfs/dbraw/zinc/81/09/24/368810924.db2.gz RMJOPGFFJXNVNP-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN COC(=O)c1occc1CN(C)[C@@H](C)C1CC1 ZINC000073780012 368815519 /nfs/dbraw/zinc/81/55/19/368815519.db2.gz QWGXGWZANXTYJD-VIFPVBQESA-N 0 1 237.299 2.297 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000084054929 368846607 /nfs/dbraw/zinc/84/66/07/368846607.db2.gz PSDUGTIUUIYOLF-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CCOCCN(C)Cc1cc(C)ccc1OC ZINC000072982244 368788876 /nfs/dbraw/zinc/78/88/76/368788876.db2.gz QTVJSWBVLZZJDW-UHFFFAOYSA-N 0 1 237.343 2.472 20 0 BEADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCC1CC1 ZINC000088491604 368916164 /nfs/dbraw/zinc/91/61/64/368916164.db2.gz KTBQFKNMHNQNOZ-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1sc(C)nc1C ZINC000084149076 368848722 /nfs/dbraw/zinc/84/87/22/368848722.db2.gz VVPOZIXGCCEOQJ-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN CC(C)CC[C@H](CO)NCc1cscn1 ZINC000623646716 368968358 /nfs/dbraw/zinc/96/83/58/368968358.db2.gz OCYZQXXQBGVQNU-SNVBAGLBSA-N 0 1 228.361 2.030 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618184212 369080905 /nfs/dbraw/zinc/08/09/05/369080905.db2.gz UMUHJSYSDVOVHU-GFCCVEGCSA-N 0 1 247.342 2.452 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N(C)CC1CN(C)C1 ZINC000618191652 369083316 /nfs/dbraw/zinc/08/33/16/369083316.db2.gz MYSWMKCRUGHVQY-LLVKDONJSA-N 0 1 240.391 2.079 20 0 BEADMN C[S@](=O)c1ccc(CN2CCCC2)cc1 ZINC000155407348 326195377 /nfs/dbraw/zinc/19/53/77/326195377.db2.gz WZYUDZXCUMGYDM-OAHLLOKOSA-N 0 1 223.341 2.020 20 0 BEADMN C[N@@H+](CCn1cc(Cl)cn1)Cc1ccco1 ZINC000459288071 203246762 /nfs/dbraw/zinc/24/67/62/203246762.db2.gz FRUAEZCSYIWMOJ-UHFFFAOYSA-N 0 1 239.706 2.262 20 0 BEADMN CN(CCn1cc(Cl)cn1)Cc1ccco1 ZINC000459288071 203246764 /nfs/dbraw/zinc/24/67/64/203246764.db2.gz FRUAEZCSYIWMOJ-UHFFFAOYSA-N 0 1 239.706 2.262 20 0 BEADMN CCn1nncc1C[N@@H+](C)CC1CCCCC1 ZINC000459288108 203248213 /nfs/dbraw/zinc/24/82/13/203248213.db2.gz GCQDOOACLGHPGY-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CCn1nncc1CN(C)CC1CCCCC1 ZINC000459288108 203248215 /nfs/dbraw/zinc/24/82/15/203248215.db2.gz GCQDOOACLGHPGY-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CCCC1 ZINC000459295990 203250787 /nfs/dbraw/zinc/25/07/87/203250787.db2.gz DXTMWIZPLMXWCK-UHFFFAOYSA-N 0 1 247.342 2.434 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1ccccc1 ZINC000459402725 203274298 /nfs/dbraw/zinc/27/42/98/203274298.db2.gz ZWVBAMNWCBZNBP-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CCn1nncc1CN1CCC(C)(CC)CC1 ZINC000459317276 203255950 /nfs/dbraw/zinc/25/59/50/203255950.db2.gz AXBJUMHLGHBHLU-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccn[nH]2)C1 ZINC000619133287 369293131 /nfs/dbraw/zinc/29/31/31/369293131.db2.gz XAMIEWARYVWBIQ-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN COCc1cc(CN2CCC[C@H](C)[C@@H]2C)no1 ZINC000459329449 203258813 /nfs/dbraw/zinc/25/88/13/203258813.db2.gz ROOOFDQQDORAEA-QWRGUYRKSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000459357788 203268767 /nfs/dbraw/zinc/26/87/67/203268767.db2.gz WMVLRVZMTFSXRN-PHIMTYICSA-N 0 1 236.315 2.053 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1cccc(C)c1 ZINC000459525136 203295469 /nfs/dbraw/zinc/29/54/69/203295469.db2.gz XINQUZFXJPTYKM-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1cc(CNC[C@@H](CCO)CC(C)C)no1 ZINC000459428753 203280197 /nfs/dbraw/zinc/28/01/97/203280197.db2.gz VXXCBKTUFCYEAY-LBPRGKRZSA-N 0 1 240.347 2.117 20 0 BEADMN CCC(CC)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108304616 369386517 /nfs/dbraw/zinc/38/65/17/369386517.db2.gz BSPQYSUZAPABNB-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN OCCC1CN(CCc2cccc(Cl)c2)C1 ZINC000459588870 203308959 /nfs/dbraw/zinc/30/89/59/203308959.db2.gz HCJNPZODCQZQDW-UHFFFAOYSA-N 0 1 239.746 2.197 20 0 BEADMN F[C@H]1CCC[C@H]1NCc1cnc(C2CC2)nc1 ZINC000459590537 203310696 /nfs/dbraw/zinc/31/06/96/203310696.db2.gz NHLKWZUNEUSEGG-NWDGAFQWSA-N 0 1 235.306 2.334 20 0 BEADMN CCC1(CC)CN(Cc2c(C)cnn2C)C1 ZINC000459600299 203312717 /nfs/dbraw/zinc/31/27/17/203312717.db2.gz SKYCXIVQQWFDCZ-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)no1 ZINC000459549633 203297906 /nfs/dbraw/zinc/29/79/06/203297906.db2.gz FQAWRWAGRVGNAF-QLFBSQMISA-N 0 1 240.306 2.411 20 0 BEADMN C[C@H](CNCC(F)F)CC1CCOCC1 ZINC000459552360 203299558 /nfs/dbraw/zinc/29/95/58/203299558.db2.gz YVFXNOBYHQWVOA-VIFPVBQESA-N 0 1 221.291 2.294 20 0 BEADMN Cc1cc(F)c(CN[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000459561118 203302018 /nfs/dbraw/zinc/30/20/18/203302018.db2.gz MIRRNQRFVNANDJ-DTORHVGOSA-N 0 1 243.709 2.400 20 0 BEADMN CS[C@@H]1CCN(Cc2cnc(C3CC3)nc2)C1 ZINC000459571112 203302931 /nfs/dbraw/zinc/30/29/31/203302931.db2.gz FSFLELGKXIKSOW-GFCCVEGCSA-N 0 1 249.383 2.291 20 0 BEADMN CC(C)Oc1ccc(CN2CC(C)(CO)C2)cc1 ZINC000459618819 203318268 /nfs/dbraw/zinc/31/82/68/203318268.db2.gz GDJPKBUGEJPOTP-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN COCC1(C)CN(Cc2cccc(OC)c2)C1 ZINC000459621712 203319864 /nfs/dbraw/zinc/31/98/64/203319864.db2.gz NSLIGKNRLSUFHS-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN CC1(CO)CN(CCc2ccc(Cl)cc2)C1 ZINC000459624535 203322293 /nfs/dbraw/zinc/32/22/93/203322293.db2.gz VTCSWFADLCKVNB-UHFFFAOYSA-N 0 1 239.746 2.197 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@H]2CC(C)C)n1C ZINC000459662172 203332472 /nfs/dbraw/zinc/33/24/72/203332472.db2.gz ZELXJCHMFFHFFR-VXGBXAGGSA-N 0 1 221.348 2.253 20 0 BEADMN CCn1nccc1CN1CC(C(C)(C)C)C1 ZINC000459647935 203329604 /nfs/dbraw/zinc/32/96/04/203329604.db2.gz UNPFDBLAXNHDKE-UHFFFAOYSA-N 0 1 221.348 2.381 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cc(C)ncn1 ZINC000459721327 203342329 /nfs/dbraw/zinc/34/23/29/203342329.db2.gz UBQVNTDNFNNKNJ-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cc(C)ncn1 ZINC000459721328 203342874 /nfs/dbraw/zinc/34/28/74/203342874.db2.gz UBQVNTDNFNNKNJ-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CN(Cc1n[nH]c(C2CC2)n1)C1CC(C)(C)C1 ZINC000459736562 203346914 /nfs/dbraw/zinc/34/69/14/203346914.db2.gz GNSKILMZZBEPEO-UHFFFAOYSA-N 0 1 234.347 2.303 20 0 BEADMN CCCC[C@@H](COC)N[C@H](C)c1ccn(C)n1 ZINC000459758885 203359028 /nfs/dbraw/zinc/35/90/28/203359028.db2.gz QUQJWLSMMXBPIA-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CC(C)CSCCN[C@@H](C)c1ccn(C)n1 ZINC000459768802 203363623 /nfs/dbraw/zinc/36/36/23/203363623.db2.gz AHNQPRDYKFZQMW-NSHDSACASA-N 0 1 241.404 2.460 20 0 BEADMN CN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC000082306439 370983026 /nfs/dbraw/zinc/98/30/26/370983026.db2.gz LBBRKVMOQQHROR-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1ccccc1CNC(=O)[C@H]1CCCCN1C ZINC000082305399 370983641 /nfs/dbraw/zinc/98/36/41/370983641.db2.gz RVTQGICFHDIVDB-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccn(C)n1 ZINC000459787581 203369176 /nfs/dbraw/zinc/36/91/76/203369176.db2.gz LLJWZHRGUXCBMK-JGVFFNPUSA-N 0 1 235.253 2.269 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459792938 203370012 /nfs/dbraw/zinc/37/00/12/203370012.db2.gz UYKMLHZDHRCFOJ-GRYCIOLGSA-N 0 1 217.316 2.063 20 0 BEADMN C[C@H]1CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000620213377 369773271 /nfs/dbraw/zinc/77/32/71/369773271.db2.gz RXZOOIQIRZEDSH-JTQLQIEISA-N 0 1 241.294 2.311 20 0 BEADMN CCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000568060294 326301963 /nfs/dbraw/zinc/30/19/63/326301963.db2.gz ZTQRTZBVUQDYBP-NSHDSACASA-N 0 1 225.263 2.293 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H](C3CCC3)C2)[nH]1 ZINC000620209943 369768556 /nfs/dbraw/zinc/76/85/56/369768556.db2.gz OOBAADYRTGMAHD-GFCCVEGCSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](C)N(C)C ZINC000620577209 369935912 /nfs/dbraw/zinc/93/59/12/369935912.db2.gz RTBUJZMPQODGMV-SDDRHHMPSA-N 0 1 226.364 2.116 20 0 BEADMN COC(=O)c1ccoc1CN(C)[C@@H](C)C1CC1 ZINC000252009518 369997110 /nfs/dbraw/zinc/99/71/10/369997110.db2.gz QZUURIPDIJCYLE-VIFPVBQESA-N 0 1 237.299 2.297 20 0 BEADMN CCCc1cc(C(=O)N(C)C[C@H]2CC2(C)C)n[nH]1 ZINC000621054567 370087813 /nfs/dbraw/zinc/08/78/13/370087813.db2.gz PBBJKYPWQJFZCH-SNVBAGLBSA-N 0 1 249.358 2.480 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000620902822 370050941 /nfs/dbraw/zinc/05/09/41/370050941.db2.gz CDTDZHHPUNYHPI-IONNQARKSA-N 0 1 215.256 2.157 20 0 BEADMN CC12CC(C1)CN2C(=O)c1ccc(F)cc1O ZINC000621215620 370160272 /nfs/dbraw/zinc/16/02/72/370160272.db2.gz LTNILUYFRXTAEI-UHFFFAOYSA-N 0 1 235.258 2.156 20 0 BEADMN CC[C@@H](SC)c1nc([C@@H]2CCCN2)no1 ZINC000309532262 370223232 /nfs/dbraw/zinc/22/32/32/370223232.db2.gz WGFBQMBMTWIZSR-JGVFFNPUSA-N 0 1 227.333 2.308 20 0 BEADMN CC[C@H](SC)c1nc([C@@H]2CCCN2)no1 ZINC000309532267 370223435 /nfs/dbraw/zinc/22/34/35/370223435.db2.gz WGFBQMBMTWIZSR-YUMQZZPRSA-N 0 1 227.333 2.308 20 0 BEADMN CCCN(CCOCC)[C@H](CC)C(=O)OCC ZINC001642706115 1172394834 /nfs/dbraw/zinc/39/48/34/1172394834.db2.gz UXDJFAZYPZLRHK-GFCCVEGCSA-N 0 1 245.363 2.077 20 0 BEADMN CCc1nnc(SC[C@H]2CC(C)(C)CO2)[nH]1 ZINC000631008102 370206146 /nfs/dbraw/zinc/20/61/46/370206146.db2.gz USGKTWIFUXYPOF-MRVPVSSYSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CC(C)(C)CO2)n1 ZINC000631008102 370206148 /nfs/dbraw/zinc/20/61/48/370206148.db2.gz USGKTWIFUXYPOF-MRVPVSSYSA-N 0 1 241.360 2.274 20 0 BEADMN C[C@H]1OCC[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000631008394 370207726 /nfs/dbraw/zinc/20/77/26/370207726.db2.gz YSVHUVGZYIZYCP-VXNVDRBHSA-N 0 1 239.344 2.199 20 0 BEADMN C[C@H]1OCC[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000631008394 370207730 /nfs/dbraw/zinc/20/77/30/370207730.db2.gz YSVHUVGZYIZYCP-VXNVDRBHSA-N 0 1 239.344 2.199 20 0 BEADMN CCCc1ccc(CN2CCN(C)CC2)s1 ZINC000621709111 370454479 /nfs/dbraw/zinc/45/44/79/370454479.db2.gz LRULGQPIBNROOU-UHFFFAOYSA-N 0 1 238.400 2.448 20 0 BEADMN Cc1nccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000621714458 370460879 /nfs/dbraw/zinc/46/08/79/370460879.db2.gz OOQKTLCXBHBLKS-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)ccn1 ZINC000621773792 370517431 /nfs/dbraw/zinc/51/74/31/370517431.db2.gz BVXCCYAWHGDWCU-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN CCOc1cncc(CN2CC[C@H]2C2CC2)c1 ZINC000621729332 370482414 /nfs/dbraw/zinc/48/24/14/370482414.db2.gz QMTXLDSFJXRCQU-AWEZNQCLSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccn1 ZINC000621773873 370518739 /nfs/dbraw/zinc/51/87/39/370518739.db2.gz DXGXASDSIXHXFE-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN C[C@H]1CCN(Cc2ccc(Cl)o2)C[C@@H]1CO ZINC000621738922 370496059 /nfs/dbraw/zinc/49/60/59/370496059.db2.gz XKVYDMKWAFMMJX-VHSXEESVSA-N 0 1 243.734 2.383 20 0 BEADMN CCn1cncc1CN1CC(CC2CC2)C1 ZINC000621740555 370499273 /nfs/dbraw/zinc/49/92/73/370499273.db2.gz WKRASYQURJIVDS-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN O=C(CCCF)Nc1ncc(C(F)(F)F)[nH]1 ZINC000621916352 370598621 /nfs/dbraw/zinc/59/86/21/370598621.db2.gz HMXPKXORFHKPCO-UHFFFAOYSA-N 0 1 239.172 2.117 20 0 BEADMN C[C@H]1CCCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621958497 370621121 /nfs/dbraw/zinc/62/11/21/370621121.db2.gz LHSOKDWBVADUEM-NSHDSACASA-N 0 1 249.358 2.336 20 0 BEADMN CCCC[C@H](C(=O)N1CC(N(C)C)C1)C(C)C ZINC000621935954 370608740 /nfs/dbraw/zinc/60/87/40/370608740.db2.gz NZBVIACZYKLHDG-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)(C(=O)N[C@@H]1CCC(C)(C)C1)c1cnc[nH]1 ZINC000621939606 370609640 /nfs/dbraw/zinc/60/96/40/370609640.db2.gz JRKSOKMZQQOAJP-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN C/C=C\CNCc1cc(C(F)(F)F)nn1C ZINC000623739612 371074887 /nfs/dbraw/zinc/07/48/87/371074887.db2.gz AHJDOQMGMAIUIF-ARJAWSKDSA-N 0 1 233.237 2.105 20 0 BEADMN CCc1cc(CN[C@@H](C)[C@H]2CCCCO2)on1 ZINC000623897196 371145537 /nfs/dbraw/zinc/14/55/37/371145537.db2.gz IHEXUIIEXKALHI-GXFFZTMASA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@H](O)CCN[C@H](C)c1nc(C)cs1 ZINC000623907250 371146818 /nfs/dbraw/zinc/14/68/18/371146818.db2.gz QMWNQCYXFMKYTA-ZJUUUORDSA-N 0 1 228.361 2.263 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCC1CC1)C1CCC1 ZINC000569021942 326387382 /nfs/dbraw/zinc/38/73/82/326387382.db2.gz OFDWHHPAQIGMLU-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN CC(C)[N@@H+](Cc1ncccc1[O-])CC1CC1 ZINC000569036411 326387634 /nfs/dbraw/zinc/38/76/34/326387634.db2.gz CKNMTKDJLBBHEH-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)[N@H+](Cc1ncccc1[O-])CC1CC1 ZINC000569036411 326387635 /nfs/dbraw/zinc/38/76/35/326387635.db2.gz CKNMTKDJLBBHEH-UHFFFAOYSA-N 0 1 220.316 2.408 20 0 BEADMN C/C=C\C[C@H](CO)N[C@H](C)c1nc(C)cs1 ZINC000623962892 371200086 /nfs/dbraw/zinc/20/00/86/371200086.db2.gz RPBQWKNWMBEOKV-WQMVXFAESA-N 0 1 240.372 2.429 20 0 BEADMN CC[C@H](C)[C@](C)(O)CNCc1nccs1 ZINC000389940090 371181757 /nfs/dbraw/zinc/18/17/57/371181757.db2.gz OIWAMCVFBPPNDM-GXSJLCMTSA-N 0 1 228.361 2.030 20 0 BEADMN CO[C@H](C)CN[C@H]1CCCc2scnc21 ZINC000623967415 371203985 /nfs/dbraw/zinc/20/39/85/371203985.db2.gz YZZQHYDNHAWGRC-BDAKNGLRSA-N 0 1 226.345 2.145 20 0 BEADMN Cc1csc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)n1 ZINC000624001680 371230714 /nfs/dbraw/zinc/23/07/14/371230714.db2.gz IXHYRASYXKUDGU-KKZNHRDASA-N 0 1 226.345 2.016 20 0 BEADMN CC[C@@H](C)CN1CCN(C(=O)[C@H](C)CC)CC1 ZINC001642837340 1172409406 /nfs/dbraw/zinc/40/94/06/1172409406.db2.gz HBIRRVQJAHQTCU-CHWSQXEVSA-N 0 1 240.391 2.223 20 0 BEADMN FCCOCCN[C@H]1CCCc2scnc21 ZINC000624016751 371251313 /nfs/dbraw/zinc/25/13/13/371251313.db2.gz DYHGHPUVGRQKCW-VIFPVBQESA-N 0 1 244.335 2.096 20 0 BEADMN Cc1ncc([C@@H](C)NCc2ccc[nH]c2=O)s1 ZINC000624258844 371441770 /nfs/dbraw/zinc/44/17/70/371441770.db2.gz VQZXGSDXQIUELR-MRVPVSSYSA-N 0 1 249.339 2.403 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1ccc[nH]c1=O ZINC000624258328 371445007 /nfs/dbraw/zinc/44/50/07/371445007.db2.gz GWGCBKRGLAIGAP-NSHDSACASA-N 0 1 243.310 2.341 20 0 BEADMN CC[C@@H](CC(=O)N1CCc2nc[nH]c2C1)C(C)C ZINC000627367420 371584927 /nfs/dbraw/zinc/58/49/27/371584927.db2.gz TXELDFUTWVMSHJ-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN C[C@H](C(=O)N1CCc2nc[nH]c2C1)C1CCCC1 ZINC000627369064 371587660 /nfs/dbraw/zinc/58/76/60/371587660.db2.gz JRLYQEMQOLUXJG-JTQLQIEISA-N 0 1 247.342 2.121 20 0 BEADMN CC1(C)CC[C@H](C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627370358 371588401 /nfs/dbraw/zinc/58/84/01/371588401.db2.gz WVHBOCYKIMUGGG-JTQLQIEISA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCc2nc[nH]c2C1 ZINC000627371353 371589552 /nfs/dbraw/zinc/58/95/52/371589552.db2.gz BWVRNDQVJPLQBS-SNVBAGLBSA-N 0 1 235.331 2.121 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627372945 371591944 /nfs/dbraw/zinc/59/19/44/371591944.db2.gz AYHKSZIRLNCPCD-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CC(C)(C(=O)N1CCc2nc[nH]c2C1)C1CCC1 ZINC000627373305 371592848 /nfs/dbraw/zinc/59/28/48/371592848.db2.gz NGPUIXHNCNPWTK-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1csc(CNCCOC(C)(C)C)n1 ZINC000162407349 371671789 /nfs/dbraw/zinc/67/17/89/371671789.db2.gz KDPHEMOZVMBQKU-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN Cc1ccoc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000304359592 371783069 /nfs/dbraw/zinc/78/30/69/371783069.db2.gz HVIAGZIGJPHYFA-MNOVXSKESA-N 0 1 237.299 2.131 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(F)cc1 ZINC000058504257 372042192 /nfs/dbraw/zinc/04/21/92/372042192.db2.gz YGCAGKOKSCRAKU-UHFFFAOYSA-N 0 1 233.246 2.364 20 0 BEADMN OC[C@H]1C[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000631199381 372212776 /nfs/dbraw/zinc/21/27/76/372212776.db2.gz KLZXVJWSUOQCPJ-DTORHVGOSA-N 0 1 243.709 2.340 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@@H]2CC2(F)F)on1 ZINC000631163728 372214275 /nfs/dbraw/zinc/21/42/75/372214275.db2.gz OLVHKFOAWYKTLV-CBAPKCEASA-N 0 1 216.231 2.116 20 0 BEADMN CC(C)n1ncnc1CN[C@]1(C)CC1(C)C ZINC000631177534 372219686 /nfs/dbraw/zinc/21/96/86/372219686.db2.gz OYHFRGJVTRNBMY-GFCCVEGCSA-N 0 1 222.336 2.137 20 0 BEADMN CC(C)n1ncnc1CN[C@@]1(C)CC1(C)C ZINC000631177535 372220141 /nfs/dbraw/zinc/22/01/41/372220141.db2.gz OYHFRGJVTRNBMY-LBPRGKRZSA-N 0 1 222.336 2.137 20 0 BEADMN CC(C)(F)CNCc1cnnn1-c1ccccc1 ZINC000631189284 372224470 /nfs/dbraw/zinc/22/44/70/372224470.db2.gz RXVRJWHAFMDDKC-UHFFFAOYSA-N 0 1 248.305 2.105 20 0 BEADMN CC(C)n1cc(CNCC(C)(C)F)cn1 ZINC000631189731 372225061 /nfs/dbraw/zinc/22/50/61/372225061.db2.gz SLIWMSHDLPZJIO-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN COc1ccc(CNCC(C)(C)F)cc1O ZINC000631192457 372226445 /nfs/dbraw/zinc/22/64/45/372226445.db2.gz XMRFOHOIAHBWSK-UHFFFAOYSA-N 0 1 227.279 2.239 20 0 BEADMN CC(=O)Nc1cccc(CN[C@@H](C)CF)c1 ZINC000631135462 372205244 /nfs/dbraw/zinc/20/52/44/372205244.db2.gz BYNFUUQUJQHJDI-VIFPVBQESA-N 0 1 224.279 2.093 20 0 BEADMN Cc1[nH]ncc1CN(C)c1nc(C2CC2)ns1 ZINC000631323173 372295260 /nfs/dbraw/zinc/29/52/60/372295260.db2.gz YBDGMSBTOMZYKT-UHFFFAOYSA-N 0 1 249.343 2.083 20 0 BEADMN COC(=O)c1coc(CN2CCC[C@@H](C)C2)c1 ZINC000171028760 372248895 /nfs/dbraw/zinc/24/88/95/372248895.db2.gz QHCKEDDLUJDPFV-SNVBAGLBSA-N 0 1 237.299 2.298 20 0 BEADMN C[C@H](NCc1ccsc1)[C@H](O)C(F)(F)F ZINC000631231651 372251676 /nfs/dbraw/zinc/25/16/76/372251676.db2.gz JCQSTHJUXOVKQJ-XPUUQOCRSA-N 0 1 239.262 2.149 20 0 BEADMN Cc1cnccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631262823 372269302 /nfs/dbraw/zinc/26/93/02/372269302.db2.gz VPBWUTYQNGARGA-NXEZZACHSA-N 0 1 230.233 2.430 20 0 BEADMN CCCCNc1cc(C)nc(NCCOC)n1 ZINC000242799876 372316404 /nfs/dbraw/zinc/31/64/04/372316404.db2.gz FDIBXFHYRGUNPU-UHFFFAOYSA-N 0 1 238.335 2.055 20 0 BEADMN c1nc2c(ncnc2N[C@H]2CCCC23CC3)[nH]1 ZINC000631417036 372349639 /nfs/dbraw/zinc/34/96/39/372349639.db2.gz APRWEDPKPCOWLV-QMMMGPOBSA-N 0 1 229.287 2.098 20 0 BEADMN CCC[C@H](NC/C=C/CO)c1cc(C)ccn1 ZINC000631645861 372479014 /nfs/dbraw/zinc/47/90/14/372479014.db2.gz BOVSMQUPVUUJJB-IHVVCDCBSA-N 0 1 234.343 2.369 20 0 BEADMN c1cc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)no1 ZINC000631586033 372443160 /nfs/dbraw/zinc/44/31/60/372443160.db2.gz WVWDZVXKPFXFBJ-STQMWFEESA-N 0 1 236.315 2.112 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1nccn1C ZINC000631702166 372513139 /nfs/dbraw/zinc/51/31/39/372513139.db2.gz JDPBJRZJKCRBDX-NOOOWODRSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1nccn1C ZINC000631702168 372513926 /nfs/dbraw/zinc/51/39/26/372513926.db2.gz JDPBJRZJKCRBDX-WISYIIOYSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccoc1 ZINC000631719969 372521753 /nfs/dbraw/zinc/52/17/53/372521753.db2.gz PZMKKMMXGFSBGJ-ACLDMZEESA-N 0 1 237.221 2.242 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C3CSC3)ccc12 ZINC000632263339 372843970 /nfs/dbraw/zinc/84/39/70/372843970.db2.gz VKDZOGIJMGHWLE-UHFFFAOYSA-N 0 1 247.323 2.173 20 0 BEADMN O=C(NC1(c2ccccc2)CC1)C(F)(F)F ZINC000041540944 182092678 /nfs/dbraw/zinc/09/26/78/182092678.db2.gz CFUWHLDWXPBNGP-UHFFFAOYSA-N 0 1 229.201 2.354 20 0 BEADMN O=C(NCCC1CC1)c1ccc(F)cc1O ZINC000123950224 182156908 /nfs/dbraw/zinc/15/69/08/182156908.db2.gz OCPTVUWAJZOTOM-UHFFFAOYSA-N 0 1 223.247 2.061 20 0 BEADMN Cc1cc(C)c(C(=O)N(C)Cc2cnc[nH]2)s1 ZINC000633601950 373620135 /nfs/dbraw/zinc/62/01/35/373620135.db2.gz LUSLIYVIPHVUKR-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1nc2cccc(C(=O)NCC(C)(C)F)c2[nH]1 ZINC000633721958 373713919 /nfs/dbraw/zinc/71/39/19/373713919.db2.gz LQPNQMCBGPMDOE-UHFFFAOYSA-N 0 1 249.289 2.349 20 0 BEADMN Cc1nccc(NCc2cnc(C(C)C)[nH]2)n1 ZINC001643234602 1172450009 /nfs/dbraw/zinc/45/00/09/1172450009.db2.gz NNYUJSQPLCTYQZ-UHFFFAOYSA-N 0 1 231.303 2.244 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1Cc1nncn1C ZINC000173712107 373879844 /nfs/dbraw/zinc/87/98/44/373879844.db2.gz BYEHEZCNQHJRLK-RYUDHWBXSA-N 0 1 236.363 2.216 20 0 BEADMN CCC(C)(C)CCNC(=O)[C@@H]1CCCN1C ZINC000633968155 373868211 /nfs/dbraw/zinc/86/82/11/373868211.db2.gz UDQWHUNBCPHMRO-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccco1 ZINC000278097039 182224866 /nfs/dbraw/zinc/22/48/66/182224866.db2.gz YZNXMQAKKNFTNV-LBPRGKRZSA-N 0 1 248.326 2.026 20 0 BEADMN CC(C)c1noc(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000381257679 374102550 /nfs/dbraw/zinc/10/25/50/374102550.db2.gz RCLODSWYUPPPET-VHSXEESVSA-N 0 1 223.320 2.471 20 0 BEADMN O=C(NCc1ccc2cncn2c1)C1CCCC1 ZINC000297099709 182252944 /nfs/dbraw/zinc/25/29/44/182252944.db2.gz FVOVBKHNGAQHMC-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN Cc1ccc2nc(CNC(=O)[C@@H]3C[C@@H]3C)[nH]c2c1 ZINC000174890164 374272693 /nfs/dbraw/zinc/27/26/93/374272693.db2.gz MNHANGJZBZDUOA-VHSXEESVSA-N 0 1 243.310 2.144 20 0 BEADMN CC(C)(NCCOCC1CC1)c1nccs1 ZINC000173422201 206005732 /nfs/dbraw/zinc/00/57/32/206005732.db2.gz ZDDWCYKSWSMRQO-UHFFFAOYSA-N 0 1 240.372 2.394 20 0 BEADMN COc1ccnc(CNC2C[C@@H](C)C[C@H](C)C2)n1 ZINC000424192737 206034573 /nfs/dbraw/zinc/03/45/73/206034573.db2.gz SOGWFXPPGFIMRY-QWRGUYRKSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@@H]1C[N@@H+](CC(C)(C)COC)C[C@@H](C)O1 ZINC000426421389 206047420 /nfs/dbraw/zinc/04/74/20/206047420.db2.gz RLWVOFYYUDGIEB-VXGBXAGGSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1C[N@@H+](CC(C)(C)COC)C[C@H](C)O1 ZINC000426421387 206048066 /nfs/dbraw/zinc/04/80/66/206048066.db2.gz RLWVOFYYUDGIEB-NWDGAFQWSA-N 0 1 229.364 2.158 20 0 BEADMN COCC(C)(C)C[N@H+]1CC[C@@](C)(F)C1 ZINC000426421777 206048108 /nfs/dbraw/zinc/04/81/08/206048108.db2.gz SVYJUKNXYOBCIR-LLVKDONJSA-N 0 1 203.301 2.093 20 0 BEADMN CC[C@H]1C[N@@H+](CC(C)(C)COC)C[C@@H](C)O1 ZINC000426421386 206049295 /nfs/dbraw/zinc/04/92/95/206049295.db2.gz RLWVOFYYUDGIEB-NEPJUHHUSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)c1nc(CN(C)CC(C)(C)C)n[nH]1 ZINC000428229250 206053980 /nfs/dbraw/zinc/05/39/80/206053980.db2.gz MUNDPCVWYAKJLZ-UHFFFAOYSA-N 0 1 224.352 2.406 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cccs1 ZINC000268907440 182300754 /nfs/dbraw/zinc/30/07/54/182300754.db2.gz AMADSUURPPOJNZ-SECBINFHSA-N 0 1 247.323 2.279 20 0 BEADMN C[C@@H](N[C@@H](C)CC1CCCC1)c1ncn(C)n1 ZINC000437030071 206068943 /nfs/dbraw/zinc/06/89/43/206068943.db2.gz IPBYQNLMPABVJW-WDEREUQCSA-N 0 1 236.363 2.435 20 0 BEADMN c1c[nH]c([C@@H]2CCCCN2CC[C@H]2CCOC2)n1 ZINC000437717053 206072349 /nfs/dbraw/zinc/07/23/49/206072349.db2.gz LLTQUNFCBXYYFT-STQMWFEESA-N 0 1 249.358 2.363 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CC=CCC1 ZINC000268964305 182300675 /nfs/dbraw/zinc/30/06/75/182300675.db2.gz KHWMACZOZNJVQQ-CMPLNLGQSA-N 0 1 245.326 2.260 20 0 BEADMN CC[C@H](F)CN(C)[C@H](CO)c1ccccc1 ZINC000440698580 206079557 /nfs/dbraw/zinc/07/95/57/206079557.db2.gz ZLWWVGDDOCMNTJ-QWHCGFSZSA-N 0 1 225.307 2.400 20 0 BEADMN O=C(N[C@@H]1CCc2ccccc21)C(F)(F)F ZINC000034307539 182312806 /nfs/dbraw/zinc/31/28/06/182312806.db2.gz YUPHAYFQAVLCRV-SECBINFHSA-N 0 1 229.201 2.352 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000449425855 206097363 /nfs/dbraw/zinc/09/73/63/206097363.db2.gz IXMMNLCLYRDBRB-NSHDSACASA-N 0 1 235.283 2.051 20 0 BEADMN O=C(N[C@H]1CC=CCC1)[C@H]1CCCc2[nH]cnc21 ZINC000370491141 182327137 /nfs/dbraw/zinc/32/71/37/182327137.db2.gz KNIZKYXNVQJEGU-QWRGUYRKSA-N 0 1 245.326 2.055 20 0 BEADMN Cc1cc(CNCC(C)(C)[C@@H](O)C(C)C)no1 ZINC000459466535 206128122 /nfs/dbraw/zinc/12/81/22/206128122.db2.gz YOSJUXQSNGUBFD-LBPRGKRZSA-N 0 1 240.347 2.116 20 0 BEADMN COCCOC1CN(C[C@@H](C)CC(C)C)C1 ZINC000459462546 206128487 /nfs/dbraw/zinc/12/84/87/206128487.db2.gz LFMVSLOKHJROJO-LBPRGKRZSA-N 0 1 229.364 2.016 20 0 BEADMN CCn1nncc1CN[C@H](C)c1ccc(C)cc1 ZINC000459465039 206128713 /nfs/dbraw/zinc/12/87/13/206128713.db2.gz ILLQZGVBFQPSGQ-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1cc(CNCC(C)(C)[C@H](O)C(C)C)no1 ZINC000459466531 206127152 /nfs/dbraw/zinc/12/71/52/206127152.db2.gz YOSJUXQSNGUBFD-GFCCVEGCSA-N 0 1 240.347 2.116 20 0 BEADMN CCCC[C@H](C)N(C)Cc1cnnn1CC ZINC000459494900 206129840 /nfs/dbraw/zinc/12/98/40/206129840.db2.gz COHVYKYVRKLRHF-NSHDSACASA-N 0 1 224.352 2.309 20 0 BEADMN FCC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459499866 206130987 /nfs/dbraw/zinc/13/09/87/206130987.db2.gz CSDIAMQOUWYHCD-UHFFFAOYSA-N 0 1 245.729 2.218 20 0 BEADMN CC(C)(CF)NCc1cnc(C2CC2)nc1 ZINC000459543198 206133514 /nfs/dbraw/zinc/13/35/14/206133514.db2.gz YRTQCEOVNPQUGD-UHFFFAOYSA-N 0 1 223.295 2.192 20 0 BEADMN O=C(Nc1ccc(F)nc1)c1cn[nH]c1C1CC1 ZINC000187380586 182359304 /nfs/dbraw/zinc/35/93/04/182359304.db2.gz CZMOIAXUJGXEGA-UHFFFAOYSA-N 0 1 246.245 2.074 20 0 BEADMN O=C(Nc1ccccn1)c1ccc(F)cc1O ZINC000123216804 182383075 /nfs/dbraw/zinc/38/30/75/182383075.db2.gz SQJHNPTVJWMGCD-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN O=C(Nc1ccccn1)c1cccc2c[nH]nc21 ZINC000025666825 182383170 /nfs/dbraw/zinc/38/31/70/182383170.db2.gz HKCODKPGFBDLSV-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000042381100 182656664 /nfs/dbraw/zinc/65/66/64/182656664.db2.gz DQUUSUPQKZMAOU-PWSUYJOCSA-N 0 1 233.315 2.205 20 0 BEADMN C[C@@H](SCc1nn[nH]n1)c1ccccc1F ZINC001643668613 1172485373 /nfs/dbraw/zinc/48/53/73/1172485373.db2.gz OGJAXIFVGJYYRD-SSDOTTSWSA-N 0 1 238.291 2.333 20 0 BEADMN OC1(CCNCc2ncc(Cl)s2)CCC1 ZINC000336737933 183016469 /nfs/dbraw/zinc/01/64/69/183016469.db2.gz QUNTVWQCZAMDKP-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN OC1(CNCc2c(F)cccc2F)CCCC1 ZINC000096479218 183020761 /nfs/dbraw/zinc/02/07/61/183020761.db2.gz HKDWWPFEICCIMI-UHFFFAOYSA-N 0 1 241.281 2.360 20 0 BEADMN OCCC1(CNCc2cscn2)CCCC1 ZINC000266634174 183042744 /nfs/dbraw/zinc/04/27/44/183042744.db2.gz QURNFODTMZNNLE-UHFFFAOYSA-N 0 1 240.372 2.176 20 0 BEADMN OCCCCCN1CCC[C@H]1c1nccs1 ZINC000363094478 183045251 /nfs/dbraw/zinc/04/52/51/183045251.db2.gz AHKDFVLBYKVPDI-NSHDSACASA-N 0 1 240.372 2.443 20 0 BEADMN OCCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000367511570 183046176 /nfs/dbraw/zinc/04/61/76/183046176.db2.gz BCMNXEGLHNDAEF-CYBMUJFWSA-N 0 1 237.347 2.099 20 0 BEADMN OC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)o1 ZINC000128098462 183032165 /nfs/dbraw/zinc/03/21/65/183032165.db2.gz XZTAHJHRFUJGPG-ULKQDVFKSA-N 0 1 241.718 2.421 20 0 BEADMN OCCC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000077466835 183062612 /nfs/dbraw/zinc/06/26/12/183062612.db2.gz RBWVQLYPYDXANC-CQSZACIVSA-N 0 1 245.326 2.013 20 0 BEADMN OCCN(Cc1ccc(Cl)s1)C1CC1 ZINC000048065373 183067779 /nfs/dbraw/zinc/06/77/79/183067779.db2.gz YRQYRPGSMAVQLX-UHFFFAOYSA-N 0 1 231.748 2.358 20 0 BEADMN OCC[C@H](NCc1ccccc1)c1ccco1 ZINC000184507717 183096240 /nfs/dbraw/zinc/09/62/40/183096240.db2.gz WSZYYHAALAKGGW-ZDUSSCGKSA-N 0 1 231.295 2.493 20 0 BEADMN OCC[C@@H](NCc1ccco1)c1ccccc1 ZINC000265871028 183091802 /nfs/dbraw/zinc/09/18/02/183091802.db2.gz MIMKOUNCPKISEB-CQSZACIVSA-N 0 1 231.295 2.493 20 0 BEADMN CCCC[C@H](Nc1cc(C)[nH+]c(C)n1)C(=O)[O-] ZINC000037756725 169013202 /nfs/dbraw/zinc/01/32/02/169013202.db2.gz CSMFOFZSHVIZNT-JTQLQIEISA-N 0 1 237.303 2.149 20 0 BEADMN OC[C@H](CC(F)F)NCc1ccccc1Cl ZINC000309585031 183136480 /nfs/dbraw/zinc/13/64/80/183136480.db2.gz RVYPOMXQGSZXCV-VIFPVBQESA-N 0 1 249.688 2.446 20 0 BEADMN OC[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000194368134 183121907 /nfs/dbraw/zinc/12/19/07/183121907.db2.gz FTPFMLUDLPGESH-MRVPVSSYSA-N 0 1 231.748 2.216 20 0 BEADMN OC[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000275317138 183153339 /nfs/dbraw/zinc/15/33/39/183153339.db2.gz SFPHXBIURQJGME-VIFPVBQESA-N 0 1 243.709 2.293 20 0 BEADMN CCCN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000177345952 169045904 /nfs/dbraw/zinc/04/59/04/169045904.db2.gz LMIDDUMSGFOBIE-NSHDSACASA-N 0 1 247.342 2.231 20 0 BEADMN O[C@@H](CNCc1ccco1)c1ccccc1F ZINC000033465318 183181060 /nfs/dbraw/zinc/18/10/60/183181060.db2.gz KLZMGXFHLYILRE-ZDUSSCGKSA-N 0 1 235.258 2.242 20 0 BEADMN O[C@@H](CNCc1ccsc1Cl)C(F)F ZINC000336660053 183181090 /nfs/dbraw/zinc/18/10/90/183181090.db2.gz REQBTSIOXOSZPM-LURJTMIESA-N 0 1 241.690 2.117 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(C)ccc1F ZINC000358597398 169076199 /nfs/dbraw/zinc/07/61/99/169076199.db2.gz KBRIYGBLWXNOAO-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN O[C@H](CN1CC2(CCC2)[C@@H]1C1CC1)C(F)(F)F ZINC000357447542 183220223 /nfs/dbraw/zinc/22/02/23/183220223.db2.gz DGHQTZRLEPSJNT-ZJUUUORDSA-N 0 1 249.276 2.174 20 0 BEADMN CCCN(CC(=O)NC(C)C)Cc1ccccc1 ZINC000048811934 169093033 /nfs/dbraw/zinc/09/30/33/169093033.db2.gz SMUKYLSOYCHBCC-UHFFFAOYSA-N 0 1 248.370 2.423 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccc(C)s1 ZINC000092381583 169094644 /nfs/dbraw/zinc/09/46/44/169094644.db2.gz OZSYCBBMTMYNNE-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN CCCN(CC(=O)NCC)Cc1ccccc1 ZINC000042977338 169096026 /nfs/dbraw/zinc/09/60/26/169096026.db2.gz HFANJVPEIAOPBG-UHFFFAOYSA-N 0 1 234.343 2.035 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903972 169098647 /nfs/dbraw/zinc/09/86/47/169098647.db2.gz QZUPNGIKCDRHCW-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccnc(Cl)c1 ZINC000184917764 169099297 /nfs/dbraw/zinc/09/92/97/169099297.db2.gz KXIOTZTVRRWBCE-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CCCN(CC(N)=O)Cc1cc2ccccc2o1 ZINC000339706448 169110309 /nfs/dbraw/zinc/11/03/09/169110309.db2.gz NGMXZMGBEYFZJP-UHFFFAOYSA-N 0 1 246.310 2.130 20 0 BEADMN CCCN(CC)C(=O)c1cccc2n[nH]cc21 ZINC000358615400 169119131 /nfs/dbraw/zinc/11/91/31/169119131.db2.gz FLARJIXMZAVSLM-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN CCCN(CC)CC(=O)N(C)c1ccccc1 ZINC000299355020 169120102 /nfs/dbraw/zinc/12/01/02/169120102.db2.gz HOENYQQPRPHNGU-UHFFFAOYSA-N 0 1 234.343 2.381 20 0 BEADMN O[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000103859829 183234398 /nfs/dbraw/zinc/23/43/98/183234398.db2.gz WPIBOOQKAPNPGU-VCDPDADVSA-N 0 1 217.312 2.157 20 0 BEADMN O[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000291409805 183234457 /nfs/dbraw/zinc/23/44/57/183234457.db2.gz GEPAAXPYRXBQTD-ZDUSSCGKSA-N 0 1 239.746 2.339 20 0 BEADMN Oc1ccc2c(c1)[C@@H](NCCF)CCC2 ZINC000285073130 183281522 /nfs/dbraw/zinc/28/15/22/183281522.db2.gz JHBFXTFZUZALOD-LBPRGKRZSA-N 0 1 209.264 2.329 20 0 BEADMN CCC[N@@H+](CC)Cc1ccc(-n2ccnc2)nc1 ZINC000267380168 169130322 /nfs/dbraw/zinc/13/03/22/169130322.db2.gz MLEBNMNQFKPARM-UHFFFAOYSA-N 0 1 244.342 2.499 20 0 BEADMN CCCN(CC)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000270799099 169132236 /nfs/dbraw/zinc/13/22/36/169132236.db2.gz TWZRRVHBZOTMTM-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN CCCN(CCC)C(=O)[C@@H](N)c1ccccc1 ZINC000055368161 169143401 /nfs/dbraw/zinc/14/34/01/169143401.db2.gz LKGFXUXMEGEUGK-ZDUSSCGKSA-N 0 1 234.343 2.335 20 0 BEADMN CCCN(CCC)C(=O)c1ccc2[nH]nnc2c1 ZINC000045829458 169146000 /nfs/dbraw/zinc/14/60/00/169146000.db2.gz BYTKURPWHRVVMT-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN CCCN(Cc1cc(=O)c(OC)co1)C1CC1 ZINC000268528745 169172859 /nfs/dbraw/zinc/17/28/59/169172859.db2.gz HWJDZVIRDCDKPZ-UHFFFAOYSA-N 0 1 237.299 2.023 20 0 BEADMN [O-]c1cccc(C[NH2+]C[C@@H]2CCCO2)c1Cl ZINC000328360501 183291384 /nfs/dbraw/zinc/29/13/84/183291384.db2.gz OWAZENBORWCING-JTQLQIEISA-N 0 1 241.718 2.314 20 0 BEADMN Oc1cccc(CNCc2ccncc2)c1 ZINC000020140217 183291442 /nfs/dbraw/zinc/29/14/42/183291442.db2.gz RSXSJMSASXLVOY-UHFFFAOYSA-N 0 1 214.268 2.077 20 0 BEADMN CCCN(Cc1nccs1)CC(C)(C)O ZINC000269716301 169181019 /nfs/dbraw/zinc/18/10/19/169181019.db2.gz SCSAXFSJSIRIGF-UHFFFAOYSA-N 0 1 228.361 2.126 20 0 BEADMN CCCN(Cc1cnns1)CC1CC1 ZINC000336698763 169181120 /nfs/dbraw/zinc/18/11/20/169181120.db2.gz VRYCLAQAXLMXKH-UHFFFAOYSA-N 0 1 211.334 2.160 20 0 BEADMN CCCN(Cc1[nH]ncc1C)CC(F)F ZINC000356214879 169181299 /nfs/dbraw/zinc/18/12/99/169181299.db2.gz IOJCMGLIRZNDAH-UHFFFAOYSA-N 0 1 217.263 2.195 20 0 BEADMN CCCN(Cc1ncccn1)CC(C)C ZINC000361704335 169181871 /nfs/dbraw/zinc/18/18/71/169181871.db2.gz CHHRZRJTBLCMQS-UHFFFAOYSA-N 0 1 207.321 2.345 20 0 BEADMN c1c[nH]c([C@@H]2CCCCN2CC2CC2)n1 ZINC000152060919 183328270 /nfs/dbraw/zinc/32/82/70/183328270.db2.gz KOJWVDWEJKSKPC-NSHDSACASA-N 0 1 205.305 2.347 20 0 BEADMN CCCN1CCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC000361211320 169201304 /nfs/dbraw/zinc/20/13/04/169201304.db2.gz OUGRPSOMWRPLHG-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CCCN1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC000356470118 169201424 /nfs/dbraw/zinc/20/14/24/169201424.db2.gz ZPBBAIYRQHYWQB-CHWSQXEVSA-N 0 1 240.391 2.223 20 0 BEADMN O=c1[nH]ccc2c1CN(Cc1ccsc1)CC2 ZINC000276961456 183309123 /nfs/dbraw/zinc/30/91/23/183309123.db2.gz BTVQLDCFVOVXAV-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN c1cc(CN(C[C@@H]2CCCO2)C2CC2)ccn1 ZINC000272912592 183339631 /nfs/dbraw/zinc/33/96/31/183339631.db2.gz OLDKPVQPFUBLSW-AWEZNQCLSA-N 0 1 232.327 2.225 20 0 BEADMN CCCNC(=O)CN[C@@H](C)c1cc(C)oc1C ZINC000036781000 169226849 /nfs/dbraw/zinc/22/68/49/169226849.db2.gz NIWLKJUNUIKIAM-JTQLQIEISA-N 0 1 238.331 2.073 20 0 BEADMN CCCNC(=O)CN[C@H](C)c1cc(C)oc1C ZINC000036781001 169228817 /nfs/dbraw/zinc/22/88/17/169228817.db2.gz NIWLKJUNUIKIAM-SNVBAGLBSA-N 0 1 238.331 2.073 20 0 BEADMN c1cc(CN2CCS[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000093690429 183346352 /nfs/dbraw/zinc/34/63/52/183346352.db2.gz IOIBYNYRZHZSHD-NWDGAFQWSA-N 0 1 237.372 2.270 20 0 BEADMN c1cc(CNC[C@H]2CCC3(CCCCC3)O2)n[nH]1 ZINC000359812674 183350819 /nfs/dbraw/zinc/35/08/19/183350819.db2.gz WSSGWLHRQATFPJ-CYBMUJFWSA-N 0 1 249.358 2.381 20 0 BEADMN c1cc(CCCN2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000360442443 183336534 /nfs/dbraw/zinc/33/65/34/183336534.db2.gz CURXAMBMRGKVSV-LSDHHAIUSA-N 0 1 246.354 2.268 20 0 BEADMN c1cc(NC[C@H]2CCSC2)cc2[nH]nnc12 ZINC000278474509 183365178 /nfs/dbraw/zinc/36/51/78/183365178.db2.gz JVOMLWFACCKPMY-MRVPVSSYSA-N 0 1 234.328 2.123 20 0 BEADMN c1cc(NC[C@H]2CCSC2)cc2n[nH]nc12 ZINC000278474509 183365181 /nfs/dbraw/zinc/36/51/81/183365181.db2.gz JVOMLWFACCKPMY-MRVPVSSYSA-N 0 1 234.328 2.123 20 0 BEADMN CCCNC(=O)[C@H](C)N(C)Cc1ccc(C)cc1 ZINC000122592328 169244540 /nfs/dbraw/zinc/24/45/40/169244540.db2.gz KIVQSNJRXUAXJG-ZDUSSCGKSA-N 0 1 248.370 2.342 20 0 BEADMN c1ccc(-c2n[nH]c(SCC3CC3)n2)nc1 ZINC000130151095 183382565 /nfs/dbraw/zinc/38/25/65/183382565.db2.gz GJSSSBHVZLYHDJ-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000370223389 169249399 /nfs/dbraw/zinc/24/93/99/169249399.db2.gz CHNDJCLUYUIMBR-JTQLQIEISA-N 0 1 249.358 2.164 20 0 BEADMN c1cc([C@@H]2CCCN2Cc2c[nH]nn2)cs1 ZINC000295458470 183360530 /nfs/dbraw/zinc/36/05/30/183360530.db2.gz HPTVLAPSGYXWPU-NSHDSACASA-N 0 1 234.328 2.203 20 0 BEADMN CCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000074732518 169252398 /nfs/dbraw/zinc/25/23/98/169252398.db2.gz PYRILTQWNLYWDR-UHFFFAOYSA-N 0 1 217.272 2.011 20 0 BEADMN c1c[nH]c(CNCC2(c3ccccn3)CCC2)n1 ZINC000368603504 183388061 /nfs/dbraw/zinc/38/80/61/183388061.db2.gz NGQSKVCGNBTPDC-UHFFFAOYSA-N 0 1 242.326 2.016 20 0 BEADMN CCCN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000070131082 169288253 /nfs/dbraw/zinc/28/82/53/169288253.db2.gz CFJFPHFUFVOJGL-MRVPVSSYSA-N 0 1 211.309 2.428 20 0 BEADMN c1snnc1CNCCCc1ccccc1 ZINC000036902007 183390956 /nfs/dbraw/zinc/39/09/56/183390956.db2.gz OSLPKVOTFRYGQO-UHFFFAOYSA-N 0 1 233.340 2.261 20 0 BEADMN c1nc(CNCCc2ccccc2)cs1 ZINC000040420062 183393976 /nfs/dbraw/zinc/39/39/76/183393976.db2.gz PQYGNZNLSHEMSW-UHFFFAOYSA-N 0 1 218.325 2.475 20 0 BEADMN CCCNCc1cn(-c2ccccc2C)nn1 ZINC000090299822 169267500 /nfs/dbraw/zinc/26/75/00/169267500.db2.gz UNVXVVCOPVFRDK-UHFFFAOYSA-N 0 1 230.315 2.075 20 0 BEADMN c1cnn([C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000102409506 183398909 /nfs/dbraw/zinc/39/89/09/183398909.db2.gz GMRPJGDDLWERJZ-AWEZNQCLSA-N 0 1 242.326 2.115 20 0 BEADMN CCCN[C@@H](C)c1nc(Cc2cccnc2)no1 ZINC000109510673 169277491 /nfs/dbraw/zinc/27/74/91/169277491.db2.gz HMSXWXHAUDHAEG-JTQLQIEISA-N 0 1 246.314 2.116 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000371309406 169298730 /nfs/dbraw/zinc/29/87/30/169298730.db2.gz XOYFLSHXWHXSEY-ZYHUDNBSSA-N 0 1 225.332 2.060 20 0 BEADMN CCC[C@@H](C)N(C)Cc1nccnc1OC ZINC000294509561 169365215 /nfs/dbraw/zinc/36/52/15/169365215.db2.gz CPPNBQHIJNNEIE-SNVBAGLBSA-N 0 1 223.320 2.106 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000339628376 169368265 /nfs/dbraw/zinc/36/82/65/169368265.db2.gz OPQNDYYGXMKGFJ-CHWSQXEVSA-N 0 1 238.375 2.332 20 0 BEADMN CCC[C@@H](C)C(=O)NCCNc1cc(C)ccn1 ZINC000292751254 169350017 /nfs/dbraw/zinc/35/00/17/169350017.db2.gz NRDVXVHEYXXWOB-GFCCVEGCSA-N 0 1 249.358 2.354 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCNC[C@H]1CCC ZINC000359216851 169355384 /nfs/dbraw/zinc/35/53/84/169355384.db2.gz GGLHDVFBYFXLLO-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)NCc1cn[nH]c1C ZINC000298655975 169362886 /nfs/dbraw/zinc/36/28/86/169362886.db2.gz AVLIZIHJUIZYGD-SECBINFHSA-N 0 1 238.335 2.048 20 0 BEADMN CCC[C@@H](CC)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000362699015 169376128 /nfs/dbraw/zinc/37/61/28/169376128.db2.gz MDZNULPWYMRCKC-SNVBAGLBSA-N 0 1 237.347 2.382 20 0 BEADMN CCC[C@@H](CC)N[C@@H](C)c1ncn(C)n1 ZINC000336745413 169380509 /nfs/dbraw/zinc/38/05/09/169380509.db2.gz AGQDIJLQLLARIX-VHSXEESVSA-N 0 1 210.325 2.044 20 0 BEADMN c1csc(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294679600 183518953 /nfs/dbraw/zinc/51/89/53/183518953.db2.gz BKWYOVCMVZQFHC-UHFFFAOYSA-N 0 1 234.328 2.033 20 0 BEADMN C[C@H](NC[C@@H](O)C(F)F)c1ccccc1F ZINC000224438172 134347298 /nfs/dbraw/zinc/34/72/98/134347298.db2.gz RNKCBYNXBKBSEF-OIBJUYFYSA-N 0 1 233.233 2.102 20 0 BEADMN CCC[C@](C)(O)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000345365630 169554496 /nfs/dbraw/zinc/55/44/96/169554496.db2.gz YTACMDXABMFXGY-GVXVVHGQSA-N 0 1 237.347 2.030 20 0 BEADMN CCC[C@](C)(O)CN[C@H](C)c1cc(C)on1 ZINC000289617751 169554573 /nfs/dbraw/zinc/55/45/73/169554573.db2.gz GQHNKERARSAAMW-PWSUYJOCSA-N 0 1 226.320 2.185 20 0 BEADMN CC[C@](C)(CCO)NCc1ncc(Cl)s1 ZINC000225367142 134354815 /nfs/dbraw/zinc/35/48/15/134354815.db2.gz UBVHBZHIFTXHND-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@@H]1C[C@H](NCc2ncc(Cl)s2)CCO1 ZINC000225379336 134354825 /nfs/dbraw/zinc/35/48/25/134354825.db2.gz UJSGHCBZPMGJSX-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@@H](CCCO)NCc1ncc(Cl)s1 ZINC000225365725 134354929 /nfs/dbraw/zinc/35/49/29/134354929.db2.gz GYOFIVRGNXQBTD-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN OCC1(NCc2ncc(Cl)s2)CCCC1 ZINC000225363935 134355134 /nfs/dbraw/zinc/35/51/34/134355134.db2.gz KIWXCWYHCQNGAC-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2csnn2)[C@@H](C)C1 ZINC000226158356 134359648 /nfs/dbraw/zinc/35/96/48/134359648.db2.gz SJKWILAAJBAQQQ-WCABBAIRSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1csc(CN2CCCC[C@@H]2CCO)n1 ZINC000087396296 383838127 /nfs/dbraw/zinc/83/81/27/383838127.db2.gz SNURRYVAZUBSPC-LLVKDONJSA-N 0 1 240.372 2.188 20 0 BEADMN CC/C(C)=C/c1nc([C@H]2CCCN2)no1 ZINC000647144968 383839613 /nfs/dbraw/zinc/83/96/13/383839613.db2.gz KIIGJZUNPLQPGY-FCZSHJHJSA-N 0 1 207.277 2.307 20 0 BEADMN CCCc1cc(-c2nc([C@H]3CCCN3)no2)no1 ZINC000647145524 383842290 /nfs/dbraw/zinc/84/22/90/383842290.db2.gz YDYZHLYFEFWSJC-SECBINFHSA-N 0 1 248.286 2.102 20 0 BEADMN c1nc(-c2nc([C@H]3CCCN3)no2)c(C2CC2)o1 ZINC000647145580 383842728 /nfs/dbraw/zinc/84/27/28/383842728.db2.gz ZSSRFVIZKCEOPU-MRVPVSSYSA-N 0 1 246.270 2.027 20 0 BEADMN Cc1sccc1Cc1nc([C@H]2CCCN2)no1 ZINC000647146062 383846930 /nfs/dbraw/zinc/84/69/30/383846930.db2.gz MBYYODKWMYXZDA-SNVBAGLBSA-N 0 1 249.339 2.455 20 0 BEADMN CC(C)C(C)(C)c1nc([C@H]2CCCN2)no1 ZINC000647146246 383855084 /nfs/dbraw/zinc/85/50/84/383855084.db2.gz QJDKPRPPTDXWIN-SECBINFHSA-N 0 1 223.320 2.428 20 0 BEADMN CC(C)(O)CNCc1csc(C(C)(C)C)n1 ZINC000111385924 383859979 /nfs/dbraw/zinc/85/99/79/383859979.db2.gz PIMRDZARLKDUIH-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN CCC(CC)[C@@H](O)CNCc1csc(C)n1 ZINC000111404774 383862118 /nfs/dbraw/zinc/86/21/18/383862118.db2.gz OCBMNEGWIMMUNW-LBPRGKRZSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1noc([C@H](C)N(C)CC2CCC2)n1 ZINC000558248677 383869673 /nfs/dbraw/zinc/86/96/73/383869673.db2.gz YAOBTKFKJMAEES-QMMMGPOBSA-N 0 1 209.293 2.171 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000517738543 383872721 /nfs/dbraw/zinc/87/27/21/383872721.db2.gz OHJHAQSBKWVHOK-SCZZXKLOSA-N 0 1 236.319 2.268 20 0 BEADMN COCCC[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647146991 383873567 /nfs/dbraw/zinc/87/35/67/383873567.db2.gz HGDHLBOLWDCPMB-NXEZZACHSA-N 0 1 239.319 2.024 20 0 BEADMN Cc1nnc(NC(=O)C2CCCCCCC2)[nH]1 ZINC000088055649 383876638 /nfs/dbraw/zinc/87/66/38/383876638.db2.gz VJJRVDALVHBAPU-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccncc1)C(=O)NC(C)(C)C ZINC000035124217 383830326 /nfs/dbraw/zinc/83/03/26/383830326.db2.gz BZGIJJGUJADTGV-WDEREUQCSA-N 0 1 249.358 2.035 20 0 BEADMN CCC[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2)no1 ZINC000647144644 383833070 /nfs/dbraw/zinc/83/30/70/383833070.db2.gz CFOJJSNPRUDRGO-BBBLOLIVSA-N 0 1 221.304 2.398 20 0 BEADMN CCC[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000647144645 383833517 /nfs/dbraw/zinc/83/35/17/383833517.db2.gz CFOJJSNPRUDRGO-OPRDCNLKSA-N 0 1 221.304 2.398 20 0 BEADMN CCc1nc(-c2nc([C@@H]3CCCN3)no2)c(C)o1 ZINC000647144873 383834875 /nfs/dbraw/zinc/83/48/75/383834875.db2.gz HVSHKDUGMHSLJX-QMMMGPOBSA-N 0 1 248.286 2.020 20 0 BEADMN C[C@@H](CNCc1ncc[nH]1)N(C)c1ccccc1 ZINC000067671918 383934817 /nfs/dbraw/zinc/93/48/17/383934817.db2.gz BFXLUIHPJMLNKT-LBPRGKRZSA-N 0 1 244.342 2.024 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)C(F)(F)F ZINC000647149630 383916122 /nfs/dbraw/zinc/91/61/22/383916122.db2.gz OWORABGTXCHDQU-NTSWFWBYSA-N 0 1 235.209 2.160 20 0 BEADMN CC(C)c1cc(-c2nc([C@@H]3CCCN3)no2)on1 ZINC000647149780 383917828 /nfs/dbraw/zinc/91/78/28/383917828.db2.gz RWNHQCUZRRHIMI-QMMMGPOBSA-N 0 1 248.286 2.273 20 0 BEADMN C(=C\c1nc([C@H]2CCCN2)no1)\c1cscn1 ZINC000647150660 383923363 /nfs/dbraw/zinc/92/33/63/383923363.db2.gz KZTXEJJSFPAJIE-ZBJFTSOASA-N 0 1 248.311 2.121 20 0 BEADMN C(=C/c1nc([C@@H]2CCCN2)no1)\c1cscn1 ZINC000647150658 383923678 /nfs/dbraw/zinc/92/36/78/383923678.db2.gz KZTXEJJSFPAJIE-NWALNABHSA-N 0 1 248.311 2.121 20 0 BEADMN Cc1ccc(Cc2nc([C@@H]3CCCN3)no2)s1 ZINC000647151306 383927478 /nfs/dbraw/zinc/92/74/78/383927478.db2.gz BAUVNIJOQWBVDF-JTQLQIEISA-N 0 1 249.339 2.455 20 0 BEADMN CN(CCc1ccccc1)C[C@H](O)C(F)(F)F ZINC000088202255 383889829 /nfs/dbraw/zinc/88/98/29/383889829.db2.gz UFVMVHVKXCHNKS-NSHDSACASA-N 0 1 247.260 2.084 20 0 BEADMN O[C@@]1(C(F)(F)F)CCN(CC2=CCCC2)C1 ZINC000401076082 383889941 /nfs/dbraw/zinc/88/99/41/383889941.db2.gz DFFBZCFREISMDL-JTQLQIEISA-N 0 1 235.249 2.096 20 0 BEADMN O[C@]1(C(F)(F)F)CCN(CC2=CCCC2)C1 ZINC000401076085 383890347 /nfs/dbraw/zinc/89/03/47/383890347.db2.gz DFFBZCFREISMDL-SNVBAGLBSA-N 0 1 235.249 2.096 20 0 BEADMN C[C@@H](CN(C)CC(=O)NC1CC1)c1ccccc1 ZINC000066854401 383895187 /nfs/dbraw/zinc/89/51/87/383895187.db2.gz BEHGRDCPNUFBLJ-LBPRGKRZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H](CN(C)CC(=O)NC1CC1)c1ccccc1 ZINC000066854402 383895410 /nfs/dbraw/zinc/89/54/10/383895410.db2.gz BEHGRDCPNUFBLJ-GFCCVEGCSA-N 0 1 246.354 2.001 20 0 BEADMN CC(C)CO[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000647153305 383979525 /nfs/dbraw/zinc/97/95/25/383979525.db2.gz ZBINIYZLOIUMIR-VHSXEESVSA-N 0 1 239.319 2.228 20 0 BEADMN Cc1ccc(OCCCNCc2ncc[nH]2)cc1 ZINC000067695126 383938223 /nfs/dbraw/zinc/93/82/23/383938223.db2.gz MNEXDMJUCKEEHJ-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN CCC[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)OC ZINC000345345986 383944119 /nfs/dbraw/zinc/94/41/19/383944119.db2.gz BYZGXHQMOYFSTE-IJLUTSLNSA-N 0 1 237.347 2.294 20 0 BEADMN CC[C@H](COC)N[C@H](C)c1nccs1 ZINC000070634048 383947800 /nfs/dbraw/zinc/94/78/00/383947800.db2.gz LXESLTSOORPBHG-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](CCC(=O)[O-])CC1 ZINC000070652259 383952728 /nfs/dbraw/zinc/95/27/28/383952728.db2.gz GTLJEUUUJXOMSD-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN COC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000345353351 383957230 /nfs/dbraw/zinc/95/72/30/383957230.db2.gz KEMOBDHZBVNBGQ-SRVKXCTJSA-N 0 1 237.347 2.150 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnn[n-]1 ZINC000401762708 383959425 /nfs/dbraw/zinc/95/94/25/383959425.db2.gz SPXBMEJJQIBSAI-MNOVXSKESA-N 0 1 222.336 2.111 20 0 BEADMN CN(CCc1cccs1)Cc1cc[nH]n1 ZINC000114188312 384026128 /nfs/dbraw/zinc/02/61/28/384026128.db2.gz GBORMUGXJHOVRM-UHFFFAOYSA-N 0 1 221.329 2.146 20 0 BEADMN CC(C)n1cncc1CNC1(CF)CCC1 ZINC000647254981 384013869 /nfs/dbraw/zinc/01/38/69/384013869.db2.gz XPHBQKQBCBFGJQ-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)ccc1N ZINC000647156656 384042662 /nfs/dbraw/zinc/04/26/62/384042662.db2.gz KILJSFVHNFCNOD-LLVKDONJSA-N 0 1 244.298 2.052 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc(C)cc(C)c1 ZINC000037990341 384050466 /nfs/dbraw/zinc/05/04/66/384050466.db2.gz QDAVOQYEOGUCLT-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000090180977 384031099 /nfs/dbraw/zinc/03/10/99/384031099.db2.gz DSUDSZGEVHUYNJ-GHMZBOCLSA-N 0 1 248.326 2.002 20 0 BEADMN CC(C)(O)CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000375622313 384031294 /nfs/dbraw/zinc/03/12/94/384031294.db2.gz CZPOYMHQGCBYLN-GFCCVEGCSA-N 0 1 237.347 2.098 20 0 BEADMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000090180980 384032397 /nfs/dbraw/zinc/03/23/97/384032397.db2.gz DSUDSZGEVHUYNJ-QWRGUYRKSA-N 0 1 248.326 2.002 20 0 BEADMN CC(C)(O)CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000375622314 384032965 /nfs/dbraw/zinc/03/29/65/384032965.db2.gz CZPOYMHQGCBYLN-LBPRGKRZSA-N 0 1 237.347 2.098 20 0 BEADMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1N ZINC000647156689 384042163 /nfs/dbraw/zinc/04/21/63/384042163.db2.gz LPCPYCZJASELSJ-NSHDSACASA-N 0 1 244.298 2.052 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)CO1 ZINC000647219204 384089744 /nfs/dbraw/zinc/08/97/44/384089744.db2.gz LJILREVZBCVUQV-YXCITZCRSA-N 0 1 235.302 2.391 20 0 BEADMN C[C@@H](CC1CCOCC1)NC(CF)CF ZINC000449380185 384089904 /nfs/dbraw/zinc/08/99/04/384089904.db2.gz LZMXWRFUDHOSMP-VIFPVBQESA-N 0 1 221.291 2.089 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](OC(C)C)C2)cn1 ZINC000569451715 384060057 /nfs/dbraw/zinc/06/00/57/384060057.db2.gz AWDGUKKPPGQLLG-QWHCGFSZSA-N 0 1 249.358 2.345 20 0 BEADMN C[C@@H](CO)[C@H](C)NCc1csc(C2CC2)n1 ZINC000077422038 384066982 /nfs/dbraw/zinc/06/69/82/384066982.db2.gz GTIRQWNUDRFFPE-IUCAKERBSA-N 0 1 240.372 2.127 20 0 BEADMN CCc1cnc(CN[C@@H]2CCC[C@H]2OC)s1 ZINC000309488325 384098369 /nfs/dbraw/zinc/09/83/69/384098369.db2.gz WFOXPBVPGORABO-GHMZBOCLSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccccn1 ZINC000310247606 384098519 /nfs/dbraw/zinc/09/85/19/384098519.db2.gz NHSJFFKCHNQCFE-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H](C[N@@H+](CC1CCCC1)C1CC1)C(=O)[O-] ZINC000569492887 384117477 /nfs/dbraw/zinc/11/74/77/384117477.db2.gz JYWFFAMPBKJKPX-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](CCc1ccco1)NC(=O)C(F)(F)F ZINC000070266820 384095153 /nfs/dbraw/zinc/09/51/53/384095153.db2.gz JGZKCUWZZOAWKR-SSDOTTSWSA-N 0 1 235.205 2.279 20 0 BEADMN Cc1ncc(CSc2nc(C3CC3)n[nH]2)cn1 ZINC000560427251 384134552 /nfs/dbraw/zinc/13/45/52/384134552.db2.gz GNXWYRQTQIFOTA-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1ncc(CSc2n[nH]c(C3CC3)n2)cn1 ZINC000560427251 384134555 /nfs/dbraw/zinc/13/45/55/384134555.db2.gz GNXWYRQTQIFOTA-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN C=Cn1cc(CNCc2sc(C)nc2C)cn1 ZINC000278929752 384137765 /nfs/dbraw/zinc/13/77/65/384137765.db2.gz VXUZQPPHWRGREV-UHFFFAOYSA-N 0 1 248.355 2.347 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1C(C)(C)C1(C)C ZINC000091492601 384130892 /nfs/dbraw/zinc/13/08/92/384130892.db2.gz CGMQHQJUNVOZOO-UHFFFAOYSA-N 0 1 235.331 2.017 20 0 BEADMN CCc1cnc(CN2CCC[C@@]2(C)CO)s1 ZINC000530495450 384155142 /nfs/dbraw/zinc/15/51/42/384155142.db2.gz LRXYDNSHTODQDT-LBPRGKRZSA-N 0 1 240.372 2.052 20 0 BEADMN CS[C@H]1CCCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000092064309 384163006 /nfs/dbraw/zinc/16/30/06/384163006.db2.gz FFNHUKIULVIPGG-LBPRGKRZSA-N 0 1 239.388 2.436 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2(C)CCC2)C1 ZINC000334598664 384179926 /nfs/dbraw/zinc/17/99/26/384179926.db2.gz WVLBYODBFAJACE-MNOVXSKESA-N 0 1 225.332 2.219 20 0 BEADMN CCN(Cc1cnn(C)c1C(F)(F)F)C1CC1 ZINC000132762743 384205013 /nfs/dbraw/zinc/20/50/13/384205013.db2.gz GIHZYWXGEJUJIN-UHFFFAOYSA-N 0 1 247.264 2.423 20 0 BEADMN COC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285725282 384207389 /nfs/dbraw/zinc/20/73/89/384207389.db2.gz PPUKIKLDGWPDKB-DGCLKSJQSA-N 0 1 233.311 2.243 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)[C@H]1CCCC[C@H]1C ZINC000066415191 384199961 /nfs/dbraw/zinc/19/99/61/384199961.db2.gz OHOKNBYIGIAJOZ-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1ccc(NC(=O)CN(C)C2CCC2)cc1 ZINC000072722108 384231158 /nfs/dbraw/zinc/23/11/58/384231158.db2.gz UMLFCCVDKWLQMN-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN C[C@H](O)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368208 384232532 /nfs/dbraw/zinc/23/25/32/384232532.db2.gz DLUGITCDKLCHDX-IUCAKERBSA-N 0 1 240.372 2.053 20 0 BEADMN Fc1ccc2c(c1)CN(Cc1cnc[nH]1)CC2 ZINC000093383760 384232592 /nfs/dbraw/zinc/23/25/92/384232592.db2.gz PCLFFHHMNCYLMG-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN Cc1ccnc(NCC2CCOCC2)c1 ZINC000082544984 384234014 /nfs/dbraw/zinc/23/40/14/384234014.db2.gz PTDSLHMYFOSFQQ-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN COCc1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000093418050 384234308 /nfs/dbraw/zinc/23/43/08/384234308.db2.gz HSTZZKOEHVTQBL-QWHCGFSZSA-N 0 1 249.354 2.442 20 0 BEADMN c1ccc(C[C@H]2CCN2Cc2cnccn2)cc1 ZINC000560576114 384235634 /nfs/dbraw/zinc/23/56/34/384235634.db2.gz KZRHIPBSUMDTRZ-OAHLLOKOSA-N 0 1 239.322 2.294 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@]3(CCOC3)C2)o1 ZINC000336614863 384235795 /nfs/dbraw/zinc/23/57/95/384235795.db2.gz AIKSHVVQYCRVLP-WCQYABFASA-N 0 1 236.315 2.156 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2cscn2)C1(C)C ZINC000072926395 384238113 /nfs/dbraw/zinc/23/81/13/384238113.db2.gz YKQDSVOPGFRRFW-CMPLNLGQSA-N 0 1 240.372 2.436 20 0 BEADMN Cc1nnc(NC(=O)C(C2CCC2)C2CCC2)[nH]1 ZINC000310636974 384216663 /nfs/dbraw/zinc/21/66/63/384216663.db2.gz RGPVOBPDDMZDEM-UHFFFAOYSA-N 0 1 248.330 2.268 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1cc[nH]n1 ZINC000093871095 384276989 /nfs/dbraw/zinc/27/69/89/384276989.db2.gz MBRBUFJFCRBCPR-JTQLQIEISA-N 0 1 227.377 2.373 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000569566765 384252270 /nfs/dbraw/zinc/25/22/70/384252270.db2.gz DDQFLPISCGDQEE-WYUUTHIRSA-N 0 1 247.342 2.330 20 0 BEADMN CC[C@@H](C)NCc1csc(COC)n1 ZINC000082686612 384255216 /nfs/dbraw/zinc/25/52/16/384255216.db2.gz DMTJZXALBWHHQK-MRVPVSSYSA-N 0 1 214.334 2.178 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC(=O)[O-])c1ccccc1 ZINC000082718110 384258419 /nfs/dbraw/zinc/25/84/19/384258419.db2.gz OGYWUNFQKSQPOS-NSHDSACASA-N 0 1 221.300 2.197 20 0 BEADMN C[C@H](C[N@@H+](C)CCC(=O)[O-])c1ccccc1 ZINC000082718112 384260370 /nfs/dbraw/zinc/26/03/70/384260370.db2.gz OGYWUNFQKSQPOS-LLVKDONJSA-N 0 1 221.300 2.197 20 0 BEADMN CC(C)C1CCN(Cc2cc[nH]n2)CC1 ZINC000093682613 384260516 /nfs/dbraw/zinc/26/05/16/384260516.db2.gz DAJPKEKDUQNRCH-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN CN(CCc1cccs1)Cc1c[nH]cn1 ZINC000093685443 384263010 /nfs/dbraw/zinc/26/30/10/384263010.db2.gz CMZIFYVCFVMLMR-UHFFFAOYSA-N 0 1 221.329 2.146 20 0 BEADMN Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336629912 384267097 /nfs/dbraw/zinc/26/70/97/384267097.db2.gz WRZOYZOCDTZUOS-GXTWGEPZSA-N 0 1 249.358 2.027 20 0 BEADMN CC(=O)N1CC[N@@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000336629733 384267551 /nfs/dbraw/zinc/26/75/51/384267551.db2.gz JSKHWDUZQNGXQF-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nn(C)cc1CNCc1ccc(C)c(F)c1 ZINC000123603818 384271173 /nfs/dbraw/zinc/27/11/73/384271173.db2.gz PGTXWTWXPZYYEA-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN CCCC(CCC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000132621249 384241640 /nfs/dbraw/zinc/24/16/40/384241640.db2.gz ADKWMGXTTAAWMX-SECBINFHSA-N 0 1 238.335 2.198 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000011960191 384304784 /nfs/dbraw/zinc/30/47/84/384304784.db2.gz LSGFFCHKDXYYBE-UHFFFAOYSA-N 0 1 221.300 2.372 20 0 BEADMN CC(C)OCCN1CCOC2(CCCCC2)C1 ZINC000173853672 384279163 /nfs/dbraw/zinc/27/91/63/384279163.db2.gz FFHLYYQGWDQWDB-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN Cc1cc(CC(=O)NC2CCCCCCC2)[nH]n1 ZINC000133257471 384280949 /nfs/dbraw/zinc/28/09/49/384280949.db2.gz BJWYFEKNPJDQHH-UHFFFAOYSA-N 0 1 249.358 2.490 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)c(F)cc2F)CO1 ZINC000335440851 384282436 /nfs/dbraw/zinc/28/24/36/384282436.db2.gz XZORZPYMXXVMSA-APPZFPTMSA-N 0 1 245.244 2.371 20 0 BEADMN C[C@H](NCCc1nccs1)c1nccs1 ZINC000083143376 384283423 /nfs/dbraw/zinc/28/34/23/384283423.db2.gz PIISSHVCCQFACW-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000336634537 384283831 /nfs/dbraw/zinc/28/38/31/384283831.db2.gz CVZJNGCIDSRILI-AAEUAGOBSA-N 0 1 219.332 2.483 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)o1 ZINC000304414643 384288578 /nfs/dbraw/zinc/28/85/78/384288578.db2.gz QDOQAPCHDTZKMF-BXKDBHETSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])c(C)s1 ZINC000083403987 384295556 /nfs/dbraw/zinc/29/55/56/384295556.db2.gz HBEZCQRCXRMTGK-NSHDSACASA-N 0 1 239.340 2.414 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000083701305 384322017 /nfs/dbraw/zinc/32/20/17/384322017.db2.gz ZKROTWRLZIIDGN-GHMZBOCLSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1cc(F)ccc1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000083406936 384300352 /nfs/dbraw/zinc/30/03/52/384300352.db2.gz ARPXFJQALQGARK-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN CCN(CC)C(=O)c1cccc2[nH]cnc21 ZINC000074732413 384302880 /nfs/dbraw/zinc/30/28/80/384302880.db2.gz VXFSRGVZLITSPF-UHFFFAOYSA-N 0 1 217.272 2.045 20 0 BEADMN C[C@@]1(NCc2cccc(F)c2F)CCOC1 ZINC000120184364 384335185 /nfs/dbraw/zinc/33/51/85/384335185.db2.gz YOCUNKLQOCYSMP-GFCCVEGCSA-N 0 1 227.254 2.233 20 0 BEADMN CCN(CCC(C)(C)CC)Cc1cn(C)nn1 ZINC000359648618 384336388 /nfs/dbraw/zinc/33/63/88/384336388.db2.gz KTTPKZHWGDVGJM-UHFFFAOYSA-N 0 1 238.379 2.463 20 0 BEADMN C[C@@H](O)CCN(C)Cc1cccc(F)c1F ZINC000075782208 384338584 /nfs/dbraw/zinc/33/85/84/384338584.db2.gz VKYHRDJAFVEHBJ-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN CN(CC(=O)N1CCc2ccccc21)C1CCC1 ZINC000075841698 384341913 /nfs/dbraw/zinc/34/19/13/384341913.db2.gz FDUMORDQWRVQGG-UHFFFAOYSA-N 0 1 244.338 2.060 20 0 BEADMN C[C@H](N[C@@H]1CSC1(C)C)c1ccncn1 ZINC000335585746 384346226 /nfs/dbraw/zinc/34/62/26/384346226.db2.gz XBFABLLCNAXVDC-WCBMZHEXSA-N 0 1 223.345 2.021 20 0 BEADMN CCC1(CNC(=O)c2cnccc2N)CCCC1 ZINC000187955357 384353995 /nfs/dbraw/zinc/35/39/95/384353995.db2.gz HBNRYVUDYBRWIK-UHFFFAOYSA-N 0 1 247.342 2.364 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C[C@@H](C)O)oc1C ZINC000159195962 384363823 /nfs/dbraw/zinc/36/38/23/384363823.db2.gz WGDLRVJEUZNGFP-SKDRFNHKSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nccc(NCC2=CCCOC2)c1Cl ZINC000335600897 384367871 /nfs/dbraw/zinc/36/78/71/384367871.db2.gz MQVWUXRIXHEYOH-UHFFFAOYSA-N 0 1 238.718 2.224 20 0 BEADMN CC(C)CNCc1nnc(C2CC2)s1 ZINC000084119555 384369517 /nfs/dbraw/zinc/36/95/17/384369517.db2.gz PQLWEJPTUGYHGQ-UHFFFAOYSA-N 0 1 211.334 2.161 20 0 BEADMN Cc1nnc(NC(=O)CC2CCCCCC2)[nH]1 ZINC000135809058 384371512 /nfs/dbraw/zinc/37/15/12/384371512.db2.gz VOEJWVUQIFRMBN-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN Cc1nccc(N[C@H]2CCO[C@@H](C)C2)c1Cl ZINC000335557921 384324793 /nfs/dbraw/zinc/32/47/93/384324793.db2.gz UVOFQLLWVPLZPN-WPRPVWTQSA-N 0 1 240.734 2.445 20 0 BEADMN Cc1nccc(N[C@@H]2CCO[C@@H](C)C2)c1Cl ZINC000335557920 384326407 /nfs/dbraw/zinc/32/64/07/384326407.db2.gz UVOFQLLWVPLZPN-WCBMZHEXSA-N 0 1 240.734 2.445 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300228254 384331051 /nfs/dbraw/zinc/33/10/51/384331051.db2.gz LNNTUIDFVGGQNQ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CC[C@H](C)N(CC(=O)OC(C)(C)C)C1 ZINC000174466234 384332912 /nfs/dbraw/zinc/33/29/12/384332912.db2.gz WNPPLLPETLJVAQ-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN CCC1(CC)CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000647226251 384393616 /nfs/dbraw/zinc/39/36/16/384393616.db2.gz PIPFLXGSAYIVEM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](CNCc1cocn1)CC(F)F ZINC000647226572 384398651 /nfs/dbraw/zinc/39/86/51/384398651.db2.gz MNMGLLOUKBINCG-SSDOTTSWSA-N 0 1 204.220 2.056 20 0 BEADMN c1csc(CN(C[C@@H]2CCOC2)C2CC2)n1 ZINC000134986522 384404964 /nfs/dbraw/zinc/40/49/64/384404964.db2.gz GAIZMHMMPNWWEL-JTQLQIEISA-N 0 1 238.356 2.144 20 0 BEADMN F[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC000335632541 384406988 /nfs/dbraw/zinc/40/69/88/384406988.db2.gz HCORGIDKUCPXGZ-VXGBXAGGSA-N 0 1 208.280 2.452 20 0 BEADMN CC[C@@H](C)[C@H](C)N(Cc1nccc(N)n1)C1CC1 ZINC000135046386 384409113 /nfs/dbraw/zinc/40/91/13/384409113.db2.gz RKVJMPPQPCSQQY-MNOVXSKESA-N 0 1 248.374 2.458 20 0 BEADMN CC[N@@H+](Cc1occc1C(=O)[O-])C(C)C ZINC000035433024 384410491 /nfs/dbraw/zinc/41/04/91/384410491.db2.gz UPFGRNYARLODSY-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CCOC[C@H]1CCN(Cc2nccs2)C1 ZINC000135120587 384413942 /nfs/dbraw/zinc/41/39/42/384413942.db2.gz IEBKAJZOTBMICN-JTQLQIEISA-N 0 1 226.345 2.002 20 0 BEADMN c1cc2c(c(CN3CC(C4CC4)C3)c1)OCO2 ZINC000643345623 384423705 /nfs/dbraw/zinc/42/37/05/384423705.db2.gz BWRJNCYWPGEBJT-UHFFFAOYSA-N 0 1 231.295 2.257 20 0 BEADMN C[S@](=O)c1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449428083 384379732 /nfs/dbraw/zinc/37/97/32/384379732.db2.gz QJDIRNAIIQJNBG-PBHICJAKSA-N 0 1 249.379 2.408 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000120836482 384384479 /nfs/dbraw/zinc/38/44/79/384384479.db2.gz LNTCZDOQBRJPGD-IUCAKERBSA-N 0 1 225.254 2.032 20 0 BEADMN FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC000625680905 384385210 /nfs/dbraw/zinc/38/52/10/384385210.db2.gz KJYJMMAXMKGPBY-AOOOYVTPSA-N 0 1 227.258 2.172 20 0 BEADMN Cc1ccc(CNCc2cnccc2C)cn1 ZINC000135459977 384445177 /nfs/dbraw/zinc/44/51/77/384445177.db2.gz MUBBTVAYVRTTGM-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1ccncc1CNCc1ncccc1C ZINC000135460591 384446585 /nfs/dbraw/zinc/44/65/85/384446585.db2.gz NVJYPVQWZZWESH-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN c1cn2c(n1)[C@H](NC[C@H]1CCCCS1)CC2 ZINC000334357005 384454772 /nfs/dbraw/zinc/45/47/72/384454772.db2.gz OTRNOWPYWQFNCH-GHMZBOCLSA-N 0 1 237.372 2.203 20 0 BEADMN CCN(CC(=O)OC)CC(C(C)C)C(C)C ZINC000556602006 384436260 /nfs/dbraw/zinc/43/62/60/384436260.db2.gz QKDRSJFRGYHMPI-UHFFFAOYSA-N 0 1 229.364 2.410 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccsc1 ZINC000135356771 384437500 /nfs/dbraw/zinc/43/75/00/384437500.db2.gz XHYNSHZWMLTMMN-UHFFFAOYSA-N 0 1 212.318 2.027 20 0 BEADMN CCC(O)(CC)CCNCc1csc(C)n1 ZINC000276257011 384439519 /nfs/dbraw/zinc/43/95/19/384439519.db2.gz RVGAFGPGGPPGJS-UHFFFAOYSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@H](NCCCn1cccn1)c1cscn1 ZINC000161150952 384470169 /nfs/dbraw/zinc/47/01/69/384470169.db2.gz VDQUSNJHWHOUPR-JTQLQIEISA-N 0 1 236.344 2.081 20 0 BEADMN Cc1[nH]ncc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000070212141 384471700 /nfs/dbraw/zinc/47/17/00/384471700.db2.gz DOPJGPDMABGXHJ-VIFPVBQESA-N 0 1 241.294 2.310 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2ccon2)C12CCC2 ZINC000148699402 384472616 /nfs/dbraw/zinc/47/26/16/384472616.db2.gz XQPGUIOFDPIRKF-VXGBXAGGSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@]1(O)CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000122331938 384474273 /nfs/dbraw/zinc/47/42/73/384474273.db2.gz NTUWZQOJXINZLX-ZDUSSCGKSA-N 0 1 223.291 2.173 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccc(Cl)o2)CO1 ZINC000335664297 384476090 /nfs/dbraw/zinc/47/60/90/384476090.db2.gz QDMKTXQNOITFPY-JGVFFNPUSA-N 0 1 215.680 2.200 20 0 BEADMN C[C@@H](c1cccnc1)N(C)Cc1ccc(N)nc1 ZINC000647518391 384501383 /nfs/dbraw/zinc/50/13/83/384501383.db2.gz FOZKZKQVOICSIX-NSHDSACASA-N 0 1 242.326 2.082 20 0 BEADMN CCN(CCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000048698084 384503122 /nfs/dbraw/zinc/50/31/22/384503122.db2.gz JHTBUSHEWIZSNS-UHFFFAOYSA-N 0 1 243.310 2.115 20 0 BEADMN C[C@@H](NCCC[C@@H]1CCOC1)c1csnn1 ZINC000400582516 384503822 /nfs/dbraw/zinc/50/38/22/384503822.db2.gz UKAYMDQYIVMGMP-NXEZZACHSA-N 0 1 241.360 2.005 20 0 BEADMN CCCCN(CC)C(=O)c1cc(CC)[nH]n1 ZINC000097218369 384504781 /nfs/dbraw/zinc/50/47/81/384504781.db2.gz KPFZBXBKWCMHOS-UHFFFAOYSA-N 0 1 223.320 2.234 20 0 BEADMN C[N@H+](Cc1ccc(Cl)cn1)C[C@H]1CCCO1 ZINC000517788388 384505697 /nfs/dbraw/zinc/50/56/97/384505697.db2.gz CIDGZXSEPMLNSZ-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN CN(Cc1ccc(Cl)cn1)C[C@H]1CCCO1 ZINC000517788388 384505699 /nfs/dbraw/zinc/50/56/99/384505699.db2.gz CIDGZXSEPMLNSZ-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN COC[C@@H](C)NCc1ccc(Cl)o1 ZINC000037487043 384506925 /nfs/dbraw/zinc/50/69/25/384506925.db2.gz BQWJTHQWAOQWEO-SSDOTTSWSA-N 0 1 203.669 2.058 20 0 BEADMN C[C@@H]1OCCN(CC[C@H](O)c2ccccc2)[C@H]1C ZINC000290275816 384490625 /nfs/dbraw/zinc/49/06/25/384490625.db2.gz LVYAUAARIZQSQA-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CCCCO1 ZINC000122588068 384494545 /nfs/dbraw/zinc/49/45/45/384494545.db2.gz OWKNKMDFZYNDEV-CYBMUJFWSA-N 0 1 220.316 2.083 20 0 BEADMN CC(C)C[C@H](C)CSc1nc(N)cc(N)n1 ZINC000301016723 384534550 /nfs/dbraw/zinc/53/45/50/384534550.db2.gz ZSWJUEHJEWEYCF-QMMMGPOBSA-N 0 1 240.376 2.415 20 0 BEADMN COC(CN(C)[C@H](C)c1cccs1)OC ZINC000085351300 384518908 /nfs/dbraw/zinc/51/89/08/384518908.db2.gz KPLRMGMFQZRQBL-SECBINFHSA-N 0 1 229.345 2.360 20 0 BEADMN CCOC(=O)C1(N(C)CC)CCCCC1 ZINC000151207481 384546465 /nfs/dbraw/zinc/54/64/65/384546465.db2.gz RVEZGNXMVPPDPR-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCc1ccc(CN2CCCC[C@H]2C(N)=O)cc1 ZINC000172242222 384552260 /nfs/dbraw/zinc/55/22/60/384552260.db2.gz DNQIDGZOEPYDJI-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN CCSCCN[C@H](C)c1ccon1 ZINC000308282312 384559960 /nfs/dbraw/zinc/55/99/60/384559960.db2.gz YIIYDQYXWLBLPB-MRVPVSSYSA-N 0 1 200.307 2.078 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ncccc1[O-] ZINC000517900888 384561015 /nfs/dbraw/zinc/56/10/15/384561015.db2.gz VIYFUYVIIBRMEI-OUAUKWLOSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ncccc1[O-] ZINC000517900888 384561023 /nfs/dbraw/zinc/56/10/23/384561023.db2.gz VIYFUYVIIBRMEI-OUAUKWLOSA-N 0 1 220.316 2.264 20 0 BEADMN C[C@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CO1 ZINC000402202019 384570061 /nfs/dbraw/zinc/57/00/61/384570061.db2.gz FAMZXXQEHLVPAT-AAEUAGOBSA-N 0 1 249.358 2.265 20 0 BEADMN Cn1nncc1CN1CCC[C@@H]1c1ccccc1 ZINC000123642263 384572948 /nfs/dbraw/zinc/57/29/48/384572948.db2.gz USROUISSOKNBDS-CQSZACIVSA-N 0 1 242.326 2.152 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000097903968 384576099 /nfs/dbraw/zinc/57/60/99/384576099.db2.gz UPPNSCCCUSAWSG-UHFFFAOYSA-N 0 1 241.237 2.014 20 0 BEADMN CC(C)N(CCO)Cc1cccc(F)c1F ZINC000050103865 384590663 /nfs/dbraw/zinc/59/06/63/384590663.db2.gz SHWAIHXTCAOJCF-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cc(OCCC[C@H](C)O)cc(C)n1 ZINC000561227921 384578056 /nfs/dbraw/zinc/57/80/56/384578056.db2.gz CVOAMCJUGNVZOV-NSHDSACASA-N 0 1 209.289 2.238 20 0 BEADMN Cc1nn(C)cc1COc1cc(C)nc(C)c1 ZINC000561227939 384579066 /nfs/dbraw/zinc/57/90/66/384579066.db2.gz FKWQETGKKPXUFZ-UHFFFAOYSA-N 0 1 231.299 2.319 20 0 BEADMN C[C@H](NCc1cnn(C)c1)c1cccc(F)c1 ZINC000020148036 384585265 /nfs/dbraw/zinc/58/52/65/384585265.db2.gz CDAMOTCCLABXQT-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000102926244 384585935 /nfs/dbraw/zinc/58/59/35/384585935.db2.gz YMIZDNTZRXCIPY-LLVKDONJSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1nc(CN(C)C2CCOCC2)c(C)s1 ZINC000533558582 384566713 /nfs/dbraw/zinc/56/67/13/384566713.db2.gz KLGDFWWAKPTWBC-UHFFFAOYSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1c(CN[C@@H](C)c2cncc(C)c2)cnn1C ZINC000184422921 384605161 /nfs/dbraw/zinc/60/51/61/384605161.db2.gz JSJQDMMAQBOQRX-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CC1CCCC1 ZINC000050183580 384605882 /nfs/dbraw/zinc/60/58/82/384605882.db2.gz OIUQTMJJQGCPCU-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN CC1(C)CCC[N@@H+](CCNc2ncccn2)C1 ZINC000443970643 384607331 /nfs/dbraw/zinc/60/73/31/384607331.db2.gz UXXAXYQJYZMNGT-UHFFFAOYSA-N 0 1 234.347 2.011 20 0 BEADMN C[N@@H+](CCSc1ccccc1)CCC(=O)[O-] ZINC000086100365 384608377 /nfs/dbraw/zinc/60/83/77/384608377.db2.gz ZBMRKRHSBVAVET-UHFFFAOYSA-N 0 1 239.340 2.185 20 0 BEADMN Cc1nc(CN(C)[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000362480693 384609352 /nfs/dbraw/zinc/60/93/52/384609352.db2.gz UQONZEGRGYFJTH-SECBINFHSA-N 0 1 248.305 2.445 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518769444 384617253 /nfs/dbraw/zinc/61/72/53/384617253.db2.gz VKTZMHGVYFCYHB-WOPDTQHZSA-N 0 1 248.326 2.185 20 0 BEADMN O=C(CCCCc1cn[nH]n1)Nc1ccccc1 ZINC000184577701 384622293 /nfs/dbraw/zinc/62/22/93/384622293.db2.gz OTKSYFTXXDRYIJ-UHFFFAOYSA-N 0 1 244.298 2.156 20 0 BEADMN C[C@@H](CN(C)C(=O)C1(N(C)C)CC1)C(C)(C)C ZINC000636428177 384626245 /nfs/dbraw/zinc/62/62/45/384626245.db2.gz BFNRCLZGAWUQDE-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)(C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184597816 384627180 /nfs/dbraw/zinc/62/71/80/384627180.db2.gz AUPXRCMRIIJUAQ-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN CC(C)(C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184597816 384627186 /nfs/dbraw/zinc/62/71/86/384627186.db2.gz AUPXRCMRIIJUAQ-UHFFFAOYSA-N 0 1 222.292 2.057 20 0 BEADMN C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000124002396 384600205 /nfs/dbraw/zinc/60/02/05/384600205.db2.gz NHCILOQQHYXBAC-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CCc1cc(C(=O)N2CCCC[C@H](C)C2)n[nH]1 ZINC000184403768 384601277 /nfs/dbraw/zinc/60/12/77/384601277.db2.gz OWMMGJPKHDFCSX-JTQLQIEISA-N 0 1 235.331 2.234 20 0 BEADMN Cc1ccc(CNC(=O)C(F)(F)F)s1 ZINC000082367708 384676056 /nfs/dbraw/zinc/67/60/56/384676056.db2.gz WFXZYEWXKHCEOD-UHFFFAOYSA-N 0 1 223.219 2.235 20 0 BEADMN CCc1ccccc1NC(=O)Cc1cc(C)[nH]n1 ZINC000082323153 384668677 /nfs/dbraw/zinc/66/86/77/384668677.db2.gz LLDSQAINHZRUMB-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN CCc1ccccc1NC(=O)[C@H]1CCCN1C ZINC000082323177 384669711 /nfs/dbraw/zinc/66/97/11/384669711.db2.gz QLNTWYGMDUAANC-CYBMUJFWSA-N 0 1 232.327 2.282 20 0 BEADMN CONC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000184987339 384670549 /nfs/dbraw/zinc/67/05/49/384670549.db2.gz LHAWUXPRCWGTNI-UHFFFAOYSA-N 0 1 245.681 2.434 20 0 BEADMN Cc1occc1CN[C@@H](C)c1cnn(C)c1 ZINC000309805168 384634398 /nfs/dbraw/zinc/63/43/98/384634398.db2.gz RYQHQSCCWXQLQQ-VIFPVBQESA-N 0 1 219.288 2.172 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599773 384635946 /nfs/dbraw/zinc/63/59/46/384635946.db2.gz SOEUAIKLBRDROQ-ZDUSSCGKSA-N 0 1 233.311 2.341 20 0 BEADMN CC/C=C/CCN1CCC[C@H]1c1nncn1C ZINC000184706716 384639272 /nfs/dbraw/zinc/63/92/72/384639272.db2.gz BFUVYGMPJQVRCR-ITKZLYELSA-N 0 1 234.347 2.308 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000042295969 384640098 /nfs/dbraw/zinc/64/00/98/384640098.db2.gz BTNBSYWLUHFFTI-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN OC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000048581966 384675100 /nfs/dbraw/zinc/67/51/00/384675100.db2.gz WLWQAJCZFTYUMG-NSHDSACASA-N 0 1 246.310 2.032 20 0 BEADMN COc1cc(C)c(CN[C@@H](C)CF)c(C)n1 ZINC000309819405 384641207 /nfs/dbraw/zinc/64/12/07/384641207.db2.gz DBSIFUBIGQVURC-VIFPVBQESA-N 0 1 226.295 2.155 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000172974484 384641991 /nfs/dbraw/zinc/64/19/91/384641991.db2.gz RDEBXHNJZWXNMG-PHIMTYICSA-N 0 1 249.310 2.154 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CC1Cc2ccccc2C1 ZINC000556922016 384655083 /nfs/dbraw/zinc/65/50/83/384655083.db2.gz GCOTXMKYUWJASC-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN C[C@H](NCCC1CCOCC1)c1ccon1 ZINC000309840814 384660512 /nfs/dbraw/zinc/66/05/12/384660512.db2.gz OZGOYFMERIDALA-JTQLQIEISA-N 0 1 224.304 2.142 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000335913807 384679091 /nfs/dbraw/zinc/67/90/91/384679091.db2.gz QFRNKLGEFGADDE-GXSJLCMTSA-N 0 1 205.305 2.063 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC[C@@H]2C)n1 ZINC000335913810 384679212 /nfs/dbraw/zinc/67/92/12/384679212.db2.gz QFRNKLGEFGADDE-ONGXEEELSA-N 0 1 205.305 2.063 20 0 BEADMN C[C@H](CC(=O)N1CCNC[C@H]1C)c1ccccc1 ZINC000124832924 384680722 /nfs/dbraw/zinc/68/07/22/384680722.db2.gz BYGBLZQXPBYTAK-CHWSQXEVSA-N 0 1 246.354 2.001 20 0 BEADMN CC(C)(C)OCCN[C@@H](CCO)c1ccco1 ZINC000185098953 384681932 /nfs/dbraw/zinc/68/19/32/384681932.db2.gz DVFQTWFGCIAXLS-NSHDSACASA-N 0 1 241.331 2.108 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@@H](N)c1ccccc1 ZINC000398050383 384686087 /nfs/dbraw/zinc/68/60/87/384686087.db2.gz VXIPQAUHTKLZDO-RISCZKNCSA-N 0 1 246.354 2.381 20 0 BEADMN CCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185280590 384697309 /nfs/dbraw/zinc/69/73/09/384697309.db2.gz PYVRNKORCGPRLR-CQSZACIVSA-N 0 1 217.378 2.020 20 0 BEADMN C[C@@H](O)CCCNCc1csc(C2CC2)n1 ZINC000309904326 384711111 /nfs/dbraw/zinc/71/11/11/384711111.db2.gz JKNHRSYJNFZBKN-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN CCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000363955613 384715990 /nfs/dbraw/zinc/71/59/90/384715990.db2.gz VXUNEMQCDCGJCW-IHRRRGAJSA-N 0 1 241.375 2.445 20 0 BEADMN CCc1noc(CC)c1CN[C@H]1CO[C@@H](C)C1 ZINC000647191222 384717615 /nfs/dbraw/zinc/71/76/15/384717615.db2.gz HXSDSZBEMCOJPZ-VHSXEESVSA-N 0 1 238.331 2.066 20 0 BEADMN CO[C@H]1C[C@H](N(C)Cc2n[nH]cc2C)C12CCC2 ZINC000449637372 384780668 /nfs/dbraw/zinc/78/06/68/384780668.db2.gz ZHYAXPOLGNXUTG-STQMWFEESA-N 0 1 249.358 2.108 20 0 BEADMN Cc1cncc(NC(=O)CN(C)CC(C)(C)C)c1 ZINC000635656215 384777444 /nfs/dbraw/zinc/77/74/44/384777444.db2.gz ITGNOZYDRKYQHT-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN C[C@@H](CCc1ccco1)NCc1ncccn1 ZINC000054459598 384732772 /nfs/dbraw/zinc/73/27/72/384732772.db2.gz IVWGKOVUFISXHC-NSHDSACASA-N 0 1 231.299 2.181 20 0 BEADMN CCC[C@@](C)([NH2+]Cc1nc(C)cs1)C(=O)[O-] ZINC000041812511 384739102 /nfs/dbraw/zinc/73/91/02/384739102.db2.gz ZLGLXOBHVFXIQD-LLVKDONJSA-N 0 1 242.344 2.185 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000185567854 384739405 /nfs/dbraw/zinc/73/94/05/384739405.db2.gz JLOCFEAVKDOCHR-WCQYABFASA-N 0 1 235.331 2.017 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000185567875 384741779 /nfs/dbraw/zinc/74/17/79/384741779.db2.gz JLOCFEAVKDOCHR-DGCLKSJQSA-N 0 1 235.331 2.017 20 0 BEADMN CC[C@H]1CCN(Cc2ccoc2C(=O)OC)C1 ZINC000125742970 384744581 /nfs/dbraw/zinc/74/45/81/384744581.db2.gz OLJGRZYQEUTEIH-JTQLQIEISA-N 0 1 237.299 2.298 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881458 384752890 /nfs/dbraw/zinc/75/28/90/384752890.db2.gz UAPIZXFLIKZIOG-HNNXBMFYSA-N 0 1 248.370 2.365 20 0 BEADMN CC(C)CCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881094 384754761 /nfs/dbraw/zinc/75/47/61/384754761.db2.gz BXSRMJKVOAPOKN-AWEZNQCLSA-N 0 1 234.343 2.023 20 0 BEADMN CCC1CCN(CC(=O)NCC2CCC2)CC1 ZINC000108855045 384756398 /nfs/dbraw/zinc/75/63/98/384756398.db2.gz LMGYGFMJBOEMGK-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Clc1sccc1CN[C@H]1CCOC1 ZINC000306185379 384762191 /nfs/dbraw/zinc/76/21/91/384762191.db2.gz RLGMZOHXZSQWRS-QMMMGPOBSA-N 0 1 217.721 2.280 20 0 BEADMN Cc1ccc(CNCc2nc(C)ccc2O)nc1 ZINC000400826669 384771939 /nfs/dbraw/zinc/77/19/39/384771939.db2.gz BUHKGNRKIUGHGS-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](CC(C)C)C2)n[nH]1 ZINC000174606982 384816930 /nfs/dbraw/zinc/81/69/30/384816930.db2.gz ZYFPWSNVDQFLHZ-LLVKDONJSA-N 0 1 249.358 2.480 20 0 BEADMN Cc1cnc(CN[C@]2(C)CCCOC2)s1 ZINC000335660276 384817020 /nfs/dbraw/zinc/81/70/20/384817020.db2.gz AFLOWJNQPJLJRO-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN CN(CC1CCCC1)C(=O)[C@H](N)c1ccccc1 ZINC000083929925 384817378 /nfs/dbraw/zinc/81/73/78/384817378.db2.gz JSKJNGFYAVPCJG-CQSZACIVSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1cc(C)nc(NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000126262699 384785167 /nfs/dbraw/zinc/78/51/67/384785167.db2.gz DQBXBYJCZXPJOM-CYBMUJFWSA-N 0 1 249.358 2.223 20 0 BEADMN CCCCOCCCNCc1cc(C)on1 ZINC000310020642 384785994 /nfs/dbraw/zinc/78/59/94/384785994.db2.gz NDMJGXDNENJGGJ-UHFFFAOYSA-N 0 1 226.320 2.279 20 0 BEADMN CCCc1nsc(NCc2cn[nH]c2C)n1 ZINC000083653659 384787695 /nfs/dbraw/zinc/78/76/95/384787695.db2.gz RCPMBZSYXNEEBQ-UHFFFAOYSA-N 0 1 237.332 2.134 20 0 BEADMN COC(=O)c1coc(CN2CCC[C@@H]2C)c1 ZINC000174419088 384787631 /nfs/dbraw/zinc/78/76/31/384787631.db2.gz WCIFQCONRNQQRC-VIFPVBQESA-N 0 1 223.272 2.051 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000083663512 384790240 /nfs/dbraw/zinc/79/02/40/384790240.db2.gz UJVRILJIISXFDB-AWEZNQCLSA-N 0 1 247.338 2.341 20 0 BEADMN CC(C)(C)c1cnc(CNC(C)(C)CO)s1 ZINC000279083603 384790297 /nfs/dbraw/zinc/79/02/97/384790297.db2.gz HJWDDSLWKOJNKH-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN CC[C@H](NCc1ccc(CO)o1)c1ccncc1 ZINC000174436615 384791573 /nfs/dbraw/zinc/79/15/73/384791573.db2.gz HPWOOXSOKAAKHF-AWEZNQCLSA-N 0 1 246.310 2.408 20 0 BEADMN C[C@@H](NCCCCCF)c1ccon1 ZINC000308558230 384807713 /nfs/dbraw/zinc/80/77/13/384807713.db2.gz CMBLQWINIITPEP-SECBINFHSA-N 0 1 200.257 2.465 20 0 BEADMN CC(C)(C)n1cc(CNC2(C3(C)CC3)CC2)nn1 ZINC000398195049 384836952 /nfs/dbraw/zinc/83/69/52/384836952.db2.gz UQCLJVNQYODZOZ-UHFFFAOYSA-N 0 1 248.374 2.455 20 0 BEADMN CC[C@H](N[C@@H](C)C(=O)NC)c1ccccc1F ZINC000163473406 384809143 /nfs/dbraw/zinc/80/91/43/384809143.db2.gz VUAISPMJVGRFIS-CABZTGNLSA-N 0 1 238.306 2.001 20 0 BEADMN CC[C@H]1CN(CC[C@H](O)c2ccccc2)CCO1 ZINC000053932654 384809451 /nfs/dbraw/zinc/80/94/51/384809451.db2.gz VGFBYERMJGGSQX-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000004814725 384871387 /nfs/dbraw/zinc/87/13/87/384871387.db2.gz YGZGXSNSCSOCAX-UHFFFAOYSA-N 0 1 247.323 2.461 20 0 BEADMN Cc1nc(NC(=O)c2ncc(C)cc2O)cs1 ZINC000427619894 384845436 /nfs/dbraw/zinc/84/54/36/384845436.db2.gz CEHQATIOBQIEHJ-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN CCc1ncc(CNC(=O)CCC2(C)CC2)[nH]1 ZINC001645215023 1172642913 /nfs/dbraw/zinc/64/29/13/1172642913.db2.gz GJRHAESDZVSFHD-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN Cc1nc(C)c([C@@H](C)NCCF)s1 ZINC000087774866 384846955 /nfs/dbraw/zinc/84/69/55/384846955.db2.gz PNIXUTZCPPHCAX-ZCFIWIBFSA-N 0 1 202.298 2.380 20 0 BEADMN CCC1(CNC(=O)[C@@H](N)c2ccccc2)CCC1 ZINC000225454440 384850937 /nfs/dbraw/zinc/85/09/37/384850937.db2.gz OODKSALXGFMKSA-ZDUSSCGKSA-N 0 1 246.354 2.383 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1F ZINC000335206678 384853178 /nfs/dbraw/zinc/85/31/78/384853178.db2.gz HXECJSJXTOZLBU-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)cc1 ZINC000092940196 384859864 /nfs/dbraw/zinc/85/98/64/384859864.db2.gz GMWODDGRROECPH-SKDRFNHKSA-N 0 1 237.274 2.121 20 0 BEADMN CC(C)C1(CNC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000225522681 384868204 /nfs/dbraw/zinc/86/82/04/384868204.db2.gz ZCWYEGYRJGCHGD-ZDUSSCGKSA-N 0 1 246.354 2.239 20 0 BEADMN FC1(F)CC([NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000559252525 384895090 /nfs/dbraw/zinc/89/50/90/384895090.db2.gz XUOHQIRCXDLPPD-UHFFFAOYSA-N 0 1 237.253 2.450 20 0 BEADMN COc1cc(CNCc2ccccc2)sn1 ZINC000307499844 384897708 /nfs/dbraw/zinc/89/77/08/384897708.db2.gz LWKXFAVXRZSVLL-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN CCc1cc(C(=O)N2Cc3ccccc3C2)n[nH]1 ZINC000106027308 384898060 /nfs/dbraw/zinc/89/80/60/384898060.db2.gz YEGSWZUOJRIYDT-UHFFFAOYSA-N 0 1 241.294 2.128 20 0 BEADMN CCCC[C@@](C)(CO)NCc1nccs1 ZINC000647239951 384912799 /nfs/dbraw/zinc/91/27/99/384912799.db2.gz UXRNBAMLKZOHKF-NSHDSACASA-N 0 1 228.361 2.174 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H](C)C1)C(C)(F)F ZINC000307012070 384913661 /nfs/dbraw/zinc/91/36/61/384913661.db2.gz PRWLAKADWUXFCN-HRDYMLBCSA-N 0 1 207.264 2.187 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H](C)C1)C(C)(F)F ZINC000307012072 384914506 /nfs/dbraw/zinc/91/45/06/384914506.db2.gz PRWLAKADWUXFCN-VGMNWLOBSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1cccn2cc(CN3CC[C@@H](C)C3)nc12 ZINC000586768053 384914407 /nfs/dbraw/zinc/91/44/07/384914407.db2.gz MLJMXUDDKRVNDP-LLVKDONJSA-N 0 1 229.327 2.485 20 0 BEADMN Cc1cnc([C@@H](C)NCC[C@H](C)F)o1 ZINC000308682092 384914369 /nfs/dbraw/zinc/91/43/69/384914369.db2.gz XXYZSJLNNGSVGW-IONNQARKSA-N 0 1 200.257 2.382 20 0 BEADMN c1ccc2c(c1)COC[C@@H]2NCc1ccncc1 ZINC000225980444 384916416 /nfs/dbraw/zinc/91/64/16/384916416.db2.gz LMLGAIUREDXFAE-HNNXBMFYSA-N 0 1 240.306 2.443 20 0 BEADMN CC[N@@H+](CCO)Cc1ccc(Cl)c(F)c1 ZINC000127949895 384918058 /nfs/dbraw/zinc/91/80/58/384918058.db2.gz VPTQRGSXIDPRPZ-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CC[N@@H+](CCO)Cc1cnc(C(C)C)s1 ZINC000127951537 384918802 /nfs/dbraw/zinc/91/88/02/384918802.db2.gz WMPNOHQJYGXIOU-UHFFFAOYSA-N 0 1 228.361 2.081 20 0 BEADMN CCN(CCO)Cc1cnc(C(C)C)s1 ZINC000127951537 384918809 /nfs/dbraw/zinc/91/88/09/384918809.db2.gz WMPNOHQJYGXIOU-UHFFFAOYSA-N 0 1 228.361 2.081 20 0 BEADMN Cc1csc(CNC[C@H](O)CC(C)(C)C)n1 ZINC000164142628 384923728 /nfs/dbraw/zinc/92/37/28/384923728.db2.gz REOOASKFQKTGNV-SNVBAGLBSA-N 0 1 242.388 2.338 20 0 BEADMN FC(F)CSc1nc(C2CC2)n[nH]1 ZINC000112770849 384926331 /nfs/dbraw/zinc/92/63/31/384926331.db2.gz SNHBPNLZXXTNKO-UHFFFAOYSA-N 0 1 205.233 2.039 20 0 BEADMN FC(F)CSc1n[nH]c(C2CC2)n1 ZINC000112770849 384926335 /nfs/dbraw/zinc/92/63/35/384926335.db2.gz SNHBPNLZXXTNKO-UHFFFAOYSA-N 0 1 205.233 2.039 20 0 BEADMN C[C@@H]([N@@H+](C)CC(=O)NC1CCCC1)C1(C)CC1 ZINC000177245313 384929568 /nfs/dbraw/zinc/92/95/68/384929568.db2.gz BLGURXSBZFLPJQ-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Clc1cccc2c1OC[C@H]2N[C@@H]1CCOC1 ZINC000369438493 384959879 /nfs/dbraw/zinc/95/98/79/384959879.db2.gz FJUDYCGSDBQTSK-LDYMZIIASA-N 0 1 239.702 2.152 20 0 BEADMN CSC(C)(C)CNCc1cscn1 ZINC000128207415 384933888 /nfs/dbraw/zinc/93/38/88/384933888.db2.gz RIKZMZXOEKOLPB-UHFFFAOYSA-N 0 1 216.375 2.374 20 0 BEADMN Cc1ccc(CC[N@@H+](C)CCCC(=O)[O-])cc1 ZINC000258855522 384948681 /nfs/dbraw/zinc/94/86/81/384948681.db2.gz JMXKWDKAHUNWFR-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN CCc1ccc(CN2CC[C@](O)(C(F)F)C2)o1 ZINC000449479239 384965402 /nfs/dbraw/zinc/96/54/02/384965402.db2.gz ZMRJSZCSQDWCHK-GFCCVEGCSA-N 0 1 245.269 2.044 20 0 BEADMN CC(C)c1cc(CNC[C@H](O)C(C)(C)C)on1 ZINC000644567898 384966799 /nfs/dbraw/zinc/96/67/99/384966799.db2.gz PDISURGUCSHTCT-LBPRGKRZSA-N 0 1 240.347 2.295 20 0 BEADMN CN(Cc1cccc2c1OCO2)C[C@@H]1CCCO1 ZINC000128021639 384977865 /nfs/dbraw/zinc/97/78/65/384977865.db2.gz UCZOWTYTGHHMHD-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2ccco2)o1 ZINC000164394609 384980725 /nfs/dbraw/zinc/98/07/25/384980725.db2.gz DIZQRKHXDKMPLY-NSHDSACASA-N 0 1 221.256 2.004 20 0 BEADMN CC[C@@H]1CN(Cc2ccnn2CC)CCS1 ZINC000128037806 384982831 /nfs/dbraw/zinc/98/28/31/384982831.db2.gz GXGWHOPGKMETID-GFCCVEGCSA-N 0 1 239.388 2.230 20 0 BEADMN C[C@H](NCc1ccsc1)C(=O)NC(C)(C)C ZINC000058123167 384983679 /nfs/dbraw/zinc/98/36/79/384983679.db2.gz LTZPPHRBDSDSSS-VIFPVBQESA-N 0 1 240.372 2.141 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000644586529 384984537 /nfs/dbraw/zinc/98/45/37/384984537.db2.gz IRWSDMRKHDGKSX-GHMZBOCLSA-N 0 1 246.310 2.201 20 0 BEADMN Cc1ccc(F)c(CN2CCC(O)CC2)c1 ZINC000128057658 384985655 /nfs/dbraw/zinc/98/56/55/384985655.db2.gz AVHRLZZIISPPNV-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN CC(C)[C@@H](CO)NCc1c(F)cccc1F ZINC000086121463 384987464 /nfs/dbraw/zinc/98/74/64/384987464.db2.gz TVLQWHQGTGLTMS-GFCCVEGCSA-N 0 1 229.270 2.071 20 0 BEADMN c1cc2c(cn1)CCN2c1ncnc2c1CCC2 ZINC000530676672 385009232 /nfs/dbraw/zinc/00/92/32/385009232.db2.gz FGEQMOVABMVANJ-UHFFFAOYSA-N 0 1 238.294 2.055 20 0 BEADMN CCN(CCCO)Cc1cnc(Cl)s1 ZINC000129661036 385009819 /nfs/dbraw/zinc/00/98/19/385009819.db2.gz FGIMCUCKFZRDTC-UHFFFAOYSA-N 0 1 234.752 2.001 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2cccc(C)c2)[nH]1 ZINC000255756892 385014679 /nfs/dbraw/zinc/01/46/79/385014679.db2.gz SJGCQKNAQJSPEB-SREVYHEPSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2cccc(C)c2)n1 ZINC000255756892 385014685 /nfs/dbraw/zinc/01/46/85/385014685.db2.gz SJGCQKNAQJSPEB-SREVYHEPSA-N 0 1 242.282 2.073 20 0 BEADMN C[C@@H]1C[C@H](NCc2cnc(C3CC3)o2)[C@@H](C)O1 ZINC000449709635 385017692 /nfs/dbraw/zinc/01/76/92/385017692.db2.gz ZTPOJJVRKGCMQK-LNLATYFQSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@@H](CC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000188438343 385051692 /nfs/dbraw/zinc/05/16/92/385051692.db2.gz UMCOZCQQOIGNOS-QWHCGFSZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@@H](CO)CNCc1c(F)cccc1Cl ZINC000088195100 385051758 /nfs/dbraw/zinc/05/17/58/385051758.db2.gz DGLNSRPNQVCNBW-MRVPVSSYSA-N 0 1 231.698 2.197 20 0 BEADMN FC1(F)CC(C[N@@H+]2CCN3CCCC[C@H]3C2)C1 ZINC000336232811 385053844 /nfs/dbraw/zinc/05/38/44/385053844.db2.gz YRHLBQUDTCPKBB-LBPRGKRZSA-N 0 1 244.329 2.202 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2C[C@@H]2C)n1 ZINC000647133905 385057142 /nfs/dbraw/zinc/05/71/42/385057142.db2.gz NKGDJEMNDSUUHV-XHNCKOQMSA-N 0 1 209.293 2.239 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2C[C@H]2C)n1 ZINC000647133904 385057487 /nfs/dbraw/zinc/05/74/87/385057487.db2.gz NKGDJEMNDSUUHV-IWSPIJDZSA-N 0 1 209.293 2.239 20 0 BEADMN C[C@H]1CCN(CC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000557635519 385060258 /nfs/dbraw/zinc/06/02/58/385060258.db2.gz LCDKCGTYWXRNJZ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NC1CCC(F)(F)CC1)c1ncn(C)n1 ZINC000647300729 385062982 /nfs/dbraw/zinc/06/29/82/385062982.db2.gz VYXCWRURVXSENN-MRVPVSSYSA-N 0 1 244.289 2.044 20 0 BEADMN COC(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000151036713 385080253 /nfs/dbraw/zinc/08/02/53/385080253.db2.gz QOSYGZRMNASXPS-CHWSQXEVSA-N 0 1 247.338 2.346 20 0 BEADMN COC(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000151036754 385080735 /nfs/dbraw/zinc/08/07/35/385080735.db2.gz QOSYGZRMNASXPS-OLZOCXBDSA-N 0 1 247.338 2.346 20 0 BEADMN CC[C@H](NCc1[nH]ncc1C)c1nccs1 ZINC000310015727 385027381 /nfs/dbraw/zinc/02/73/81/385027381.db2.gz KVJJMBXACVOILU-VIFPVBQESA-N 0 1 236.344 2.416 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1nccs1 ZINC000647243009 385028058 /nfs/dbraw/zinc/02/80/58/385028058.db2.gz CAVGPWNLMKFKCH-NXEZZACHSA-N 0 1 228.361 2.030 20 0 BEADMN CCc1noc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000642723407 385035426 /nfs/dbraw/zinc/03/54/26/385035426.db2.gz BFVVAGYWJZXHOG-AEJSXWLSSA-N 0 1 223.320 2.108 20 0 BEADMN C[C@H](O)CC[N@@H+](C)C/C=C/c1ccccc1 ZINC000128441121 385037745 /nfs/dbraw/zinc/03/77/45/385037745.db2.gz QEXURXFVSULAND-PPGNKHEKSA-N 0 1 219.328 2.403 20 0 BEADMN C[C@@H](NCc1nccs1)[C@]1(C)CCCO1 ZINC000340190836 385038573 /nfs/dbraw/zinc/03/85/73/385038573.db2.gz MKKJUYZBUOSWFO-KOLCDFICSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cc[nH+]c(N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647457886 385041949 /nfs/dbraw/zinc/04/19/49/385041949.db2.gz FXAASDLLIAGAEC-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000644639178 385044277 /nfs/dbraw/zinc/04/42/77/385044277.db2.gz RSYDRLPEESKNPF-CABZTGNLSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@H](C)C[C@H](CO)NCc1cscn1 ZINC000647243806 385046268 /nfs/dbraw/zinc/04/62/68/385046268.db2.gz PDHXTWRZDGERBS-VHSXEESVSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3C)[nH]c2c1 ZINC000646983881 385108290 /nfs/dbraw/zinc/10/82/90/385108290.db2.gz BANNUERZHRQLTR-RKDXNWHRSA-N 0 1 229.283 2.466 20 0 BEADMN FC(F)(F)Cn1ccnc1CN[C@H]1CC12CC2 ZINC000424182083 385109208 /nfs/dbraw/zinc/10/92/08/385109208.db2.gz FUCSTVBOALVXLM-QMMMGPOBSA-N 0 1 245.248 2.088 20 0 BEADMN CC(C)CCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000176721086 385141526 /nfs/dbraw/zinc/14/15/26/385141526.db2.gz CJBTYPQEAOXLKS-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CC(C)(C)[C@H]1CCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000516657445 385117111 /nfs/dbraw/zinc/11/71/11/385117111.db2.gz YYZOWZOVNGJVSB-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H](O)CNc1ccc2cnccc2c1 ZINC000644703175 385121500 /nfs/dbraw/zinc/12/15/00/385121500.db2.gz NQUDQAUNLUXWPX-CYBMUJFWSA-N 0 1 216.284 2.418 20 0 BEADMN COCC(C)(C)N(C)Cc1oc(C)nc1C ZINC000644782711 385134872 /nfs/dbraw/zinc/13/48/72/385134872.db2.gz UPLJWUZFZGKQHM-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN C(C1CCCCCC1)N1CCO[C@H]2C[C@H]21 ZINC000644717055 385136362 /nfs/dbraw/zinc/13/63/62/385136362.db2.gz LYCDKRQHICHSOS-OLZOCXBDSA-N 0 1 209.333 2.430 20 0 BEADMN CC[C@H](N[C@@H]1CCOC1)c1nc(C)cs1 ZINC000088715648 385137700 /nfs/dbraw/zinc/13/77/00/385137700.db2.gz LQRVHWPHYFSFOW-ZJUUUORDSA-N 0 1 226.345 2.281 20 0 BEADMN CCN(CC(C)(C)C)C(=O)[C@H]1CCCCN1C ZINC000644720267 385138748 /nfs/dbraw/zinc/13/87/48/385138748.db2.gz CBFUDOTUAJPSSE-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(CC)Cc1nnc(-c2ccco2)o1 ZINC000061757437 385139304 /nfs/dbraw/zinc/13/93/04/385139304.db2.gz ZGEANRXDBHJMSP-UHFFFAOYSA-N 0 1 221.260 2.171 20 0 BEADMN CC[C@H](NCc1cccnc1)c1cnn(C)c1 ZINC000151076793 385086157 /nfs/dbraw/zinc/08/61/57/385086157.db2.gz HEWDGMLKLLCXMG-ZDUSSCGKSA-N 0 1 230.315 2.056 20 0 BEADMN CCN(CCC1CCCC1)CC(=O)OC ZINC000308781778 385092631 /nfs/dbraw/zinc/09/26/31/385092631.db2.gz ROWHCXAYXRAZOK-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN C[C@H]1CN(CCSC2CCC2)C[C@H](C)O1 ZINC000569356990 385092931 /nfs/dbraw/zinc/09/29/31/385092931.db2.gz RYZJGTQVDAXUED-QWRGUYRKSA-N 0 1 229.389 2.381 20 0 BEADMN CCc1nc(C)c(CN2CCCOC[C@H]2C)o1 ZINC000644678514 385093228 /nfs/dbraw/zinc/09/32/28/385093228.db2.gz SZYRLLZPRZEDCW-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CC(C)c1n[nH]cc1C(=O)Nc1nccs1 ZINC000188830999 385093834 /nfs/dbraw/zinc/09/38/34/385093834.db2.gz FUUJWCCCSKWRAC-UHFFFAOYSA-N 0 1 236.300 2.242 20 0 BEADMN Cc1ccoc1C[N@H+](C)CCCc1cnn(C)c1 ZINC000644781020 385096642 /nfs/dbraw/zinc/09/66/42/385096642.db2.gz XCVPHUAPVPDEOB-UHFFFAOYSA-N 0 1 247.342 2.386 20 0 BEADMN CCc1ccc([C@@H](COC)N[C@@H](C)COC)o1 ZINC000165319015 385103340 /nfs/dbraw/zinc/10/33/40/385103340.db2.gz UGLMRBJBKXDNNY-CMPLNLGQSA-N 0 1 241.331 2.154 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@H]2CC23CC3)n1 ZINC000422554992 385105262 /nfs/dbraw/zinc/10/52/62/385105262.db2.gz ZCXWOMTUCLCAGN-DTWKUNHWSA-N 0 1 221.304 2.383 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCC[C@H](C)CC2)[nH]n1 ZINC000188921050 385105793 /nfs/dbraw/zinc/10/57/93/385105793.db2.gz JJKFPZVAENSFIP-JQWIXIFHSA-N 0 1 249.358 2.346 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)C[C@H]2C)n[nH]1 ZINC000152507494 385188812 /nfs/dbraw/zinc/18/88/12/385188812.db2.gz KKQGXGDUQYYDPO-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccnc1 ZINC000062999342 385199064 /nfs/dbraw/zinc/19/90/64/385199064.db2.gz JBEOZLUMOKJWDF-DOMZBBRYSA-N 0 1 242.322 2.466 20 0 BEADMN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccncc1 ZINC000062999338 385199955 /nfs/dbraw/zinc/19/99/55/385199955.db2.gz MGUBPBZNDHKBPF-DOMZBBRYSA-N 0 1 242.322 2.466 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C)CC2)n1 ZINC000176828830 385150586 /nfs/dbraw/zinc/15/05/86/385150586.db2.gz LYXMTTDREWEWNH-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H](C)CC2)n1 ZINC000176828830 385150595 /nfs/dbraw/zinc/15/05/95/385150595.db2.gz LYXMTTDREWEWNH-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCC[C@H](C)CC2)n1 ZINC000176828830 385150608 /nfs/dbraw/zinc/15/06/08/385150608.db2.gz LYXMTTDREWEWNH-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN C[C@H](C(=O)Nc1cc(CN(C)C)ccn1)C1CC1 ZINC000176920543 385156627 /nfs/dbraw/zinc/15/66/27/385156627.db2.gz ALJJGYAUDAMECE-JTQLQIEISA-N 0 1 247.342 2.128 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000176986362 385164193 /nfs/dbraw/zinc/16/41/93/385164193.db2.gz IBDHDNUATKWJIM-PHIMTYICSA-N 0 1 245.326 2.159 20 0 BEADMN COC[C@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020087734 385172477 /nfs/dbraw/zinc/17/24/77/385172477.db2.gz DKZBOLHUXLKOHF-JGVFFNPUSA-N 0 1 228.361 2.445 20 0 BEADMN CC/C=C\CCSc1nc(N)cc(N)n1 ZINC000308808847 385177079 /nfs/dbraw/zinc/17/70/79/385177079.db2.gz BQCSILGYPVEYPX-ARJAWSKDSA-N 0 1 224.333 2.089 20 0 BEADMN Cc1nc(CSc2ccc(O)cc2)n[nH]1 ZINC000308814186 385180789 /nfs/dbraw/zinc/18/07/89/385180789.db2.gz APEVPTPZRNDCOJ-UHFFFAOYSA-N 0 1 221.285 2.111 20 0 BEADMN Cc1noc([C@@H](C)N[C@H](C)CC2CC2)n1 ZINC000308846359 385206260 /nfs/dbraw/zinc/20/62/60/385206260.db2.gz MKUJNHOILHZPCI-HTQZYQBOSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)CC2CC2)n1 ZINC000308846362 385206915 /nfs/dbraw/zinc/20/69/15/385206915.db2.gz MKUJNHOILHZPCI-YUMQZZPRSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1c(CN2CCC(F)(F)[C@@H](C)C2)cnn1C ZINC000289762761 385210361 /nfs/dbraw/zinc/21/03/61/385210361.db2.gz KVBPVCLHFUVKKE-VIFPVBQESA-N 0 1 243.301 2.206 20 0 BEADMN Cc1cc(CNC(=O)[C@@]2(C)CCC[C@@H]2C)n[nH]1 ZINC000648329688 385214689 /nfs/dbraw/zinc/21/46/89/385214689.db2.gz CFGBAIWVAIBKKL-ZANVPECISA-N 0 1 235.331 2.161 20 0 BEADMN CC(C)CCOc1cccc(NC(=O)CN)c1 ZINC000033465817 385236704 /nfs/dbraw/zinc/23/67/04/385236704.db2.gz CESIBPRICSDKJH-UHFFFAOYSA-N 0 1 236.315 2.009 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)C1CCCC1 ZINC000051330328 385240739 /nfs/dbraw/zinc/24/07/39/385240739.db2.gz OJYDJOAAPYSPCA-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1csc(CN2CCC[C@](C)(O)CC2)n1 ZINC000230375473 385245488 /nfs/dbraw/zinc/24/54/88/385245488.db2.gz ACGUHNWAQIWXIQ-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](O)CCCNc1cc(C)ccn1 ZINC000308899240 385252952 /nfs/dbraw/zinc/25/29/52/385252952.db2.gz AYWDFXKSLNNANR-NSHDSACASA-N 0 1 208.305 2.353 20 0 BEADMN C[C@H]1[C@@H](c2ccccc2)CCN1[C@@H]1CCOC1=O ZINC000177535876 385255038 /nfs/dbraw/zinc/25/50/38/385255038.db2.gz UTNCXEZIOWVBIZ-FPMFFAJLSA-N 0 1 245.322 2.180 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000308934693 385302869 /nfs/dbraw/zinc/30/28/69/385302869.db2.gz CKRKIVLNFIIQOU-OUAUKWLOSA-N 0 1 206.289 2.261 20 0 BEADMN CCOCCOCCN(C)Cc1ccc(C)o1 ZINC000191573082 385307529 /nfs/dbraw/zinc/30/75/29/385307529.db2.gz RCSFJIADFWMQNY-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN Cc1nc(CN2CCC[C@](C)(O)CC2)cs1 ZINC000230380125 385259719 /nfs/dbraw/zinc/25/97/19/385259719.db2.gz FBJBYXSEPFFEAP-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@H](F)CN1CCOCC2(CCC2)C1 ZINC000336403105 385263166 /nfs/dbraw/zinc/26/31/66/385263166.db2.gz YNVYLROZMHMFRV-NSHDSACASA-N 0 1 215.312 2.237 20 0 BEADMN C[C@H](O)CNc1ccnc2cc(F)ccc21 ZINC000120188997 385269258 /nfs/dbraw/zinc/26/92/58/385269258.db2.gz JEMOSWUMKCJZKP-QMMMGPOBSA-N 0 1 220.247 2.167 20 0 BEADMN CN(Cc1ccc(CO)o1)Cc1ccccc1 ZINC000034217944 385275150 /nfs/dbraw/zinc/27/51/50/385275150.db2.gz WIIRCYHWGIWEMA-UHFFFAOYSA-N 0 1 231.295 2.404 20 0 BEADMN Cc1ccc2ncc(CN(C)C3CC3)n2c1 ZINC000153801556 385281380 /nfs/dbraw/zinc/28/13/80/385281380.db2.gz DDFFWZUOUGCFKF-UHFFFAOYSA-N 0 1 215.300 2.237 20 0 BEADMN CCC(C)(CC)c1nc(C2(N)CCC2)no1 ZINC000647141456 385285762 /nfs/dbraw/zinc/28/57/62/385285762.db2.gz SZPAPMNVGHQXKY-UHFFFAOYSA-N 0 1 223.320 2.485 20 0 BEADMN C[C@@H](N[C@@H]1CSC1(C)C)c1cnccn1 ZINC000308928831 385288759 /nfs/dbraw/zinc/28/87/59/385288759.db2.gz DUTVGUBUOBNAOJ-PSASIEDQSA-N 0 1 223.345 2.021 20 0 BEADMN Cn1cnc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000311038538 385289523 /nfs/dbraw/zinc/28/95/23/385289523.db2.gz UURWBBLPSIWQSO-GFCCVEGCSA-N 0 1 248.374 2.408 20 0 BEADMN COC[C@@H](NCc1c(F)cccc1F)C1CC1 ZINC000178499080 385291486 /nfs/dbraw/zinc/29/14/86/385291486.db2.gz SHIIDXSHQFXPMX-CYBMUJFWSA-N 0 1 241.281 2.479 20 0 BEADMN COCc1ccc(CN2CCOCC2(C)C)cc1 ZINC000130876362 385292396 /nfs/dbraw/zinc/29/23/96/385292396.db2.gz UVLYPLHDNZLYMN-UHFFFAOYSA-N 0 1 249.354 2.444 20 0 BEADMN COC(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000308925111 385296551 /nfs/dbraw/zinc/29/65/51/385296551.db2.gz ICCRFTOLZZAVBK-VIFPVBQESA-N 0 1 212.293 2.059 20 0 BEADMN CO[C@@H](C)CNCc1csc(C2CC2)n1 ZINC000308944946 385301983 /nfs/dbraw/zinc/30/19/83/385301983.db2.gz NKNWBNSAYCFMCS-QMMMGPOBSA-N 0 1 226.345 2.145 20 0 BEADMN Cc1ncc(C(=O)N2CC3(C2)CCCCC3)[nH]1 ZINC000272778928 385331660 /nfs/dbraw/zinc/33/16/60/385331660.db2.gz USHLXHMGYORYJD-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228085893 385332006 /nfs/dbraw/zinc/33/20/06/385332006.db2.gz AGKURVYBMAQLFZ-BXUZGUMPSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)CC2CCC2)cc1 ZINC000228085096 385333091 /nfs/dbraw/zinc/33/30/91/385333091.db2.gz ZWXCRQRZPQRGDL-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN CS[C@@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC000131616352 385346431 /nfs/dbraw/zinc/34/64/31/385346431.db2.gz VHDVQOLDAKSWTJ-QMMMGPOBSA-N 0 1 249.339 2.044 20 0 BEADMN CC[C@]1(C)CCN(C(=O)c2ccc(CN)o2)C1 ZINC000336569758 385350764 /nfs/dbraw/zinc/35/07/64/385350764.db2.gz OIRRNOSNLSEUJU-CYBMUJFWSA-N 0 1 236.315 2.001 20 0 BEADMN C[C@H](C[C@@H](O)c1ccccc1)NCc1cocn1 ZINC000192338925 385353742 /nfs/dbraw/zinc/35/37/42/385353742.db2.gz WELJJAOLOWULTA-BXUZGUMPSA-N 0 1 246.310 2.276 20 0 BEADMN Cc1c[nH]nc1CNCc1ccc(C)cc1 ZINC000289751059 385355713 /nfs/dbraw/zinc/35/57/13/385355713.db2.gz FJLLBUOCEYQZNZ-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN Cc1noc([C@@H](C)N[C@H](C)CC(C)C)n1 ZINC000309011709 385359486 /nfs/dbraw/zinc/35/94/86/385359486.db2.gz SAUSFZGZCBHTAT-RKDXNWHRSA-N 0 1 211.309 2.463 20 0 BEADMN CC(F)(F)CCCNc1ncnc2[nH]cnc21 ZINC000295000460 385366143 /nfs/dbraw/zinc/36/61/43/385366143.db2.gz RSTLWFMBOYDATC-UHFFFAOYSA-N 0 1 241.245 2.200 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2C[C@H](C)[C@H]2C)n1 ZINC000309019716 385372775 /nfs/dbraw/zinc/37/27/75/385372775.db2.gz WICFQAJYLZKMCP-PYHGXSLLSA-N 0 1 209.293 2.073 20 0 BEADMN C[C@H](O)CN(Cc1ccccc1F)C1CC1 ZINC000192962188 385378571 /nfs/dbraw/zinc/37/85/71/385378571.db2.gz IAYLXBACMBABPP-JTQLQIEISA-N 0 1 223.291 2.171 20 0 BEADMN CC(C)n1nccc1CNCc1ccc(O)cc1 ZINC000280877132 385380889 /nfs/dbraw/zinc/38/08/89/385380889.db2.gz NAAXOTAVXBGMCY-UHFFFAOYSA-N 0 1 245.326 2.459 20 0 BEADMN FCCN[C@@H](c1cccnc1)C1CCC1 ZINC000280971046 385386385 /nfs/dbraw/zinc/38/63/85/385386385.db2.gz ILOFNDFBBZQHQA-GFCCVEGCSA-N 0 1 208.280 2.482 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)C2)c(Cl)c1 ZINC000235887319 385325387 /nfs/dbraw/zinc/32/53/87/385325387.db2.gz SECBBHXFIMSOOE-NSHDSACASA-N 0 1 225.719 2.215 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(C(C)C)s1 ZINC000178771382 385326678 /nfs/dbraw/zinc/32/66/78/385326678.db2.gz KHGWHSAMYGSHGA-UHFFFAOYSA-N 0 1 237.332 2.305 20 0 BEADMN Cc1n[nH]cc1CN1CCc2ccccc2C1 ZINC000154450178 385326782 /nfs/dbraw/zinc/32/67/82/385326782.db2.gz YHTAZTXEKMDWJU-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN CC[C@@H](F)CN[C@H](CO)c1ccccc1 ZINC000308971501 385327351 /nfs/dbraw/zinc/32/73/51/385327351.db2.gz ZVCPCEZIUALRJR-VXGBXAGGSA-N 0 1 211.280 2.058 20 0 BEADMN C[C@H](N[C@@H](CO)CC1CCC1)c1cscn1 ZINC000281277001 385424389 /nfs/dbraw/zinc/42/43/89/385424389.db2.gz XGFALCSFQZWPDY-GXSJLCMTSA-N 0 1 240.372 2.345 20 0 BEADMN CN(Cc1ccncc1F)CC1CCOCC1 ZINC000449027687 385424627 /nfs/dbraw/zinc/42/46/27/385424627.db2.gz MBTLAWQUEKUMLJ-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN C[C@H](N[C@H](CO)CC1CCC1)c1cscn1 ZINC000281277050 385425435 /nfs/dbraw/zinc/42/54/35/385425435.db2.gz XGFALCSFQZWPDY-ONGXEEELSA-N 0 1 240.372 2.345 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC2(C)C)[nH]1 ZINC001645215205 1172645174 /nfs/dbraw/zinc/64/51/74/1172645174.db2.gz OAHQXQKKEZHUKT-SNVBAGLBSA-N 0 1 235.331 2.025 20 0 BEADMN FCCN[C@@H]1CCCNc2ccccc21 ZINC000281143377 385407021 /nfs/dbraw/zinc/40/70/21/385407021.db2.gz UUBUAFBLJLDPGE-GFCCVEGCSA-N 0 1 208.280 2.493 20 0 BEADMN Cc1ccc2nc(CN3CCCC3)cn2c1 ZINC000170709862 385440501 /nfs/dbraw/zinc/44/05/01/385440501.db2.gz WPLLPTXGXZPNBP-UHFFFAOYSA-N 0 1 215.300 2.239 20 0 BEADMN CSCCN1CCn2cccc2[C@@H]1C ZINC000170744942 385441176 /nfs/dbraw/zinc/44/11/76/385441176.db2.gz JRQLPHLYZUUGCO-JTQLQIEISA-N 0 1 210.346 2.228 20 0 BEADMN CCN(CC1CC1)C(=O)c1ccc(F)cc1O ZINC000156196892 385441857 /nfs/dbraw/zinc/44/18/57/385441857.db2.gz NAYNXHXLNKNRRZ-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1noc([C@H](C)NCCC(C)(C)C)n1 ZINC000309159423 385442088 /nfs/dbraw/zinc/44/20/88/385442088.db2.gz YKDNJLQCQXRUCL-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN COc1ccc(CN(C)C[C@H](C)O)c(Cl)c1 ZINC000156360202 385447017 /nfs/dbraw/zinc/44/70/17/385447017.db2.gz ODIKWGIKPWQWAP-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000054070595 385447750 /nfs/dbraw/zinc/44/77/50/385447750.db2.gz XSTIBFVZCMBPDB-SECBINFHSA-N 0 1 239.340 2.313 20 0 BEADMN Cc1nn(C)cc1CN1CCc2ccccc2C1 ZINC000156370287 385448438 /nfs/dbraw/zinc/44/84/38/385448438.db2.gz PFEFKDOETZTFOJ-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN COC[C@@H](N[C@@H]1CCCOC1)c1ccc(C)o1 ZINC000156486231 385455416 /nfs/dbraw/zinc/45/54/16/385455416.db2.gz JUQRFAUICIYWQQ-VXGBXAGGSA-N 0 1 239.315 2.044 20 0 BEADMN CN(CCCO)Cc1cccc(Cl)c1F ZINC000281894710 385456575 /nfs/dbraw/zinc/45/65/75/385456575.db2.gz QFVAXJAQZXXCST-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(Cl)nc1 ZINC000182215109 385433943 /nfs/dbraw/zinc/43/39/43/385433943.db2.gz DLFWDDSVJVBOCF-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN Clc1ccn(CCN2CCCCC2)n1 ZINC000194434328 385435624 /nfs/dbraw/zinc/43/56/24/385435624.db2.gz ASJRVLYAUJIFKY-UHFFFAOYSA-N 0 1 213.712 2.022 20 0 BEADMN CC[C@H](COC)N[C@@H](COC)c1ccc(C)o1 ZINC000156512329 385457495 /nfs/dbraw/zinc/45/74/95/385457495.db2.gz GAAGWDCFXZCFJN-NEPJUHHUSA-N 0 1 241.331 2.290 20 0 BEADMN c1cc2c(ccnc2N2CCN(C3CC3)CC2)o1 ZINC000156811928 385469649 /nfs/dbraw/zinc/46/96/49/385469649.db2.gz NDMYBINXDPLHPC-UHFFFAOYSA-N 0 1 243.310 2.112 20 0 BEADMN NCc1ccc(C(=O)NC2CCCCCC2)o1 ZINC000011628064 385476572 /nfs/dbraw/zinc/47/65/72/385476572.db2.gz XITKYDHIUMWDSN-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN CN(Cc1cccn1C)C[C@H]1CCCCO1 ZINC000156955121 385476741 /nfs/dbraw/zinc/47/67/41/385476741.db2.gz GNBRXGLGRXRXHA-CYBMUJFWSA-N 0 1 222.332 2.026 20 0 BEADMN CCc1ccc(CN(C)[C@@H](C)COC)o1 ZINC000179369345 385463088 /nfs/dbraw/zinc/46/30/88/385463088.db2.gz HPFMPFUYCBRDFR-JTQLQIEISA-N 0 1 211.305 2.309 20 0 BEADMN C[C@](N[C@H]1C=CCCC1)(C(N)=O)c1ccccc1 ZINC000171735630 385514396 /nfs/dbraw/zinc/51/43/96/385514396.db2.gz MWZPDCJGWUZIQO-DZGCQCFKSA-N 0 1 244.338 2.085 20 0 BEADMN CC[C@@H](C[C@H](C)CO)NCc1cscn1 ZINC000309235307 385489291 /nfs/dbraw/zinc/48/92/91/385489291.db2.gz XKPJGGABHMJBGI-UWVGGRQHSA-N 0 1 228.361 2.030 20 0 BEADMN CN(CCOc1ccccc1F)Cc1cnc[nH]1 ZINC000179771239 385490284 /nfs/dbraw/zinc/49/02/84/385490284.db2.gz BVPLYWJCWBGGAX-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN FC(F)(F)C1=CCN(C[C@H]2CCCO2)CC1 ZINC000334265388 385529152 /nfs/dbraw/zinc/52/91/52/385529152.db2.gz YDLCQFGOKPTZKJ-SNVBAGLBSA-N 0 1 235.249 2.360 20 0 BEADMN COC[C@@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157883854 385532636 /nfs/dbraw/zinc/53/26/36/385532636.db2.gz SZOVQCWBEVVUSB-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN COC[C@@H](C)N1CCc2cccc(F)c2C1 ZINC000157883854 385532641 /nfs/dbraw/zinc/53/26/41/385532641.db2.gz SZOVQCWBEVVUSB-SNVBAGLBSA-N 0 1 223.291 2.219 20 0 BEADMN Cc1cnc(CN(C)[C@H](CO)C(C)(C)C)s1 ZINC000180646666 385534928 /nfs/dbraw/zinc/53/49/28/385534928.db2.gz GTUUEFZASYORQR-SNVBAGLBSA-N 0 1 242.388 2.290 20 0 BEADMN Cc1cc(CN2CCC(n3ccnc3)CC2)on1 ZINC000171942922 385535439 /nfs/dbraw/zinc/53/54/39/385535439.db2.gz GQMUDUNESKTXIX-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN C[C@@H](CSc1cn[nH]n1)C(F)(F)F ZINC000308230491 385538765 /nfs/dbraw/zinc/53/87/65/385538765.db2.gz GKECCSCIDVPFHV-BYPYZUCNSA-N 0 1 211.212 2.095 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000157988144 385540769 /nfs/dbraw/zinc/54/07/69/385540769.db2.gz PSZXJHRMHWSNAV-QWRGUYRKSA-N 0 1 249.358 2.480 20 0 BEADMN COC(C)(C)C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180324850 385519288 /nfs/dbraw/zinc/51/92/88/385519288.db2.gz CCZWSBJWLQVBDM-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC2(C1)CCCC2 ZINC000334513554 385564935 /nfs/dbraw/zinc/56/49/35/385564935.db2.gz RVPZFYXVYVHKAX-UHFFFAOYSA-N 0 1 219.332 2.403 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CC23CCCCC3)[nH]n1 ZINC000181294616 385570462 /nfs/dbraw/zinc/57/04/62/385570462.db2.gz MEKZBZUCSLPXRS-LBPRGKRZSA-N 0 1 247.342 2.100 20 0 BEADMN CC1(C)OCc2cc(CNCCF)ccc2O1 ZINC000280807767 385606512 /nfs/dbraw/zinc/60/65/12/385606512.db2.gz TXAQWYFNDPXRAP-UHFFFAOYSA-N 0 1 239.290 2.391 20 0 BEADMN CCN(CCCC(C)(C)C)CC(=O)OC ZINC000336649538 385598028 /nfs/dbraw/zinc/59/80/28/385598028.db2.gz RMONGHCBXHHQCD-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CC(C)CC1(C(=O)NCCN2CCC2)CCC1 ZINC000337324728 385598840 /nfs/dbraw/zinc/59/88/40/385598840.db2.gz UOGOJUTZLBIIHW-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)COCCN1CCO[C@H](C(C)C)C1 ZINC000337312172 385600950 /nfs/dbraw/zinc/60/09/50/385600950.db2.gz DPAGPCGFWHMLJR-ZDUSSCGKSA-N 0 1 229.364 2.016 20 0 BEADMN CC[C@H]1CCCN(Cc2nnc(C)n2C)CC1 ZINC000117342933 385578596 /nfs/dbraw/zinc/57/85/96/385578596.db2.gz COCFOWFUPDJPFH-LBPRGKRZSA-N 0 1 236.363 2.136 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H](C)Cc1ccccc1 ZINC000281025838 385628459 /nfs/dbraw/zinc/62/84/59/385628459.db2.gz ZRUPLLIAVGEOIP-QWHCGFSZSA-N 0 1 249.354 2.359 20 0 BEADMN COC(=O)c1ccoc1CN(C)CCC1CC1 ZINC000269735714 385632682 /nfs/dbraw/zinc/63/26/82/385632682.db2.gz ZRJLZWWYOCEUSQ-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN C(CN1C[C@H]2CC[C@@H](C1)O2)SC1CCC1 ZINC000450984417 385609499 /nfs/dbraw/zinc/60/94/99/385609499.db2.gz DIQAAJMSSQBIEM-PHIMTYICSA-N 0 1 227.373 2.135 20 0 BEADMN COC[C@H](N[C@H](C)COC(C)C)c1ccco1 ZINC000337346716 385613444 /nfs/dbraw/zinc/61/34/44/385613444.db2.gz WRUHUNMNRZGBAM-NEPJUHHUSA-N 0 1 241.331 2.370 20 0 BEADMN CCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269884900 385645591 /nfs/dbraw/zinc/64/55/91/385645591.db2.gz BNEDWTBLGHQGKS-UHFFFAOYSA-N 0 1 230.271 2.210 20 0 BEADMN CSCCCN(C)[C@H](C)c1cnccn1 ZINC000281222086 385647805 /nfs/dbraw/zinc/64/78/05/385647805.db2.gz BUMVVIIEKRZDGJ-SNVBAGLBSA-N 0 1 225.361 2.223 20 0 BEADMN C(CN1CCOC2(CCCC2)C1)OC1CCC1 ZINC000367736683 385650324 /nfs/dbraw/zinc/65/03/24/385650324.db2.gz HSEOEPPNBDCOIV-UHFFFAOYSA-N 0 1 239.359 2.201 20 0 BEADMN FCCNCc1c(C2CC2)nc2sccn12 ZINC000309518607 385652138 /nfs/dbraw/zinc/65/21/38/385652138.db2.gz SNCSQGVEHFPUAI-UHFFFAOYSA-N 0 1 239.319 2.332 20 0 BEADMN CCN(CCO)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000252788654 385659472 /nfs/dbraw/zinc/65/94/72/385659472.db2.gz PEPDKWAHLUQHAB-ZYHUDNBSSA-N 0 1 223.316 2.217 20 0 BEADMN CC(C)COCCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000337448513 385666110 /nfs/dbraw/zinc/66/61/10/385666110.db2.gz DCPPWTUNIYQJLA-YNEHKIRRSA-N 0 1 229.364 2.157 20 0 BEADMN CC[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCCO1 ZINC000281369390 385663308 /nfs/dbraw/zinc/66/33/08/385663308.db2.gz LOXLPOBLDBVCQC-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC[C@@H]2C)n1 ZINC000337465355 385672262 /nfs/dbraw/zinc/67/22/62/385672262.db2.gz MILPJDWJNIYVTP-ONGXEEELSA-N 0 1 235.331 2.023 20 0 BEADMN COC[C@@H](C)N[C@H]1COc2c1cccc2Cl ZINC000309545508 385678323 /nfs/dbraw/zinc/67/83/23/385678323.db2.gz GVDNIJHAJYKROH-KCJUWKMLSA-N 0 1 241.718 2.398 20 0 BEADMN COC[C@@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000309545510 385678982 /nfs/dbraw/zinc/67/89/82/385678982.db2.gz GVDNIJHAJYKROH-LDYMZIIASA-N 0 1 241.718 2.398 20 0 BEADMN COc1nccnc1CN1CC(C)(C)C[C@@H]1C ZINC000414530040 385684857 /nfs/dbraw/zinc/68/48/57/385684857.db2.gz WOCIKUPZPYNXJJ-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN FC(F)(F)C1=CCN(CCn2cccn2)CC1 ZINC000270228245 385687317 /nfs/dbraw/zinc/68/73/17/385687317.db2.gz GJUQLLCLRHUWTK-UHFFFAOYSA-N 0 1 245.248 2.078 20 0 BEADMN C[C@@H]1CCC[C@@H](NCC(F)(F)CO)[C@@H]1C ZINC000184694145 385692199 /nfs/dbraw/zinc/69/21/99/385692199.db2.gz YNVMLOSQRQNITB-OPRDCNLKSA-N 0 1 221.291 2.028 20 0 BEADMN OCC(F)(F)CNC1C2CC3CC(C2)CC1C3 ZINC000184703187 385695558 /nfs/dbraw/zinc/69/55/58/385695558.db2.gz FXIRWFRQZRNXKG-UHFFFAOYSA-N 0 1 245.313 2.028 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000337501637 385695881 /nfs/dbraw/zinc/69/58/81/385695881.db2.gz KVVHTQCAGINTFP-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1cccc(C[N@@H+](C)CCCO)c1 ZINC000281950110 385717871 /nfs/dbraw/zinc/71/78/71/385717871.db2.gz UKKFQWJSWWDAHL-UHFFFAOYSA-N 0 1 207.317 2.063 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NCC(F)(F)CO ZINC000184703756 385698694 /nfs/dbraw/zinc/69/86/94/385698694.db2.gz JMTTXFLGXRFOKH-NXEZZACHSA-N 0 1 221.291 2.172 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)CCC1CC1 ZINC000309584300 385715191 /nfs/dbraw/zinc/71/51/91/385715191.db2.gz USMWZEQWTAGLJY-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000270084301 385667773 /nfs/dbraw/zinc/66/77/73/385667773.db2.gz LSPYYZHFYLMXLU-LLVKDONJSA-N 0 1 235.331 2.369 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCc2c1cccc2Cl ZINC000263565622 385668301 /nfs/dbraw/zinc/66/83/01/385668301.db2.gz FQEQACBYQHTVBO-LLVKDONJSA-N 0 1 239.702 2.344 20 0 BEADMN CCCC[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000337455332 385669078 /nfs/dbraw/zinc/66/90/78/385669078.db2.gz JOXDDOIOMLTFCS-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000337455332 385669084 /nfs/dbraw/zinc/66/90/84/385669084.db2.gz JOXDDOIOMLTFCS-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN c1cncc(CCN2CCOCC23CCCC3)c1 ZINC000270671468 385728758 /nfs/dbraw/zinc/72/87/58/385728758.db2.gz SGSRTBOIDDDELO-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccsc1 ZINC000309602545 385737514 /nfs/dbraw/zinc/73/75/14/385737514.db2.gz XZDBHNLYBRFFIC-MWLCHTKSSA-N 0 1 238.356 2.020 20 0 BEADMN CC=CC=CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270757529 385740462 /nfs/dbraw/zinc/74/04/62/385740462.db2.gz OAXHPJXXZIHTET-YEHZPGOWSA-N 0 1 248.330 2.238 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)/C=C/C2CC2)n[nH]1 ZINC000270819749 385748160 /nfs/dbraw/zinc/74/81/60/385748160.db2.gz ZFXVAQSALPDIAS-XCODYQFDSA-N 0 1 248.330 2.072 20 0 BEADMN CC(C)c1nc([C@H](C)NC(=O)/C=C/C2CC2)n[nH]1 ZINC000270819747 385748691 /nfs/dbraw/zinc/74/86/91/385748691.db2.gz ZFXVAQSALPDIAS-UCUJLANTSA-N 0 1 248.330 2.072 20 0 BEADMN CCCc1noc(CN[C@@H]2CCC[C@H]2C)n1 ZINC000309627992 385756863 /nfs/dbraw/zinc/75/68/63/385756863.db2.gz HAZOAWVPGGKBFT-NXEZZACHSA-N 0 1 223.320 2.300 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)NCc1cn[nH]c1C ZINC000183415806 385760556 /nfs/dbraw/zinc/76/05/56/385760556.db2.gz VVEYLKJWFVNYNR-RKDXNWHRSA-N 0 1 223.320 2.017 20 0 BEADMN CN(C)c1ccncc1C(=O)NC1CCCCC1 ZINC000183456983 385763607 /nfs/dbraw/zinc/76/36/07/385763607.db2.gz UMPLDSJLMHKKDI-UHFFFAOYSA-N 0 1 247.342 2.210 20 0 BEADMN CCN(C)Cc1cnc([C@H]2CCCO2)s1 ZINC000271043148 385774554 /nfs/dbraw/zinc/77/45/54/385774554.db2.gz OBFKDNRYRMZPFO-SNVBAGLBSA-N 0 1 226.345 2.446 20 0 BEADMN COc1cc(Cl)ccc1CN(C)[C@@H](C)CO ZINC000282658709 385777655 /nfs/dbraw/zinc/77/76/55/385777655.db2.gz BIJXJZXTYOYKCY-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN O=C(c1ccn[nH]1)N1CC(C2CCCCC2)C1 ZINC000293993199 385780985 /nfs/dbraw/zinc/78/09/85/385780985.db2.gz CQHHVKJRSJYJBC-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN Cc1noc([C@H](C)NCC2CC(F)(F)C2)n1 ZINC000309593349 385723317 /nfs/dbraw/zinc/72/33/17/385723317.db2.gz VKNWCHYMLWJHAP-LURJTMIESA-N 0 1 231.246 2.074 20 0 BEADMN CC(C)c1nc([C@H](C)NCc2ccco2)n[nH]1 ZINC000270635136 385724576 /nfs/dbraw/zinc/72/45/76/385724576.db2.gz GUQDYOJUXFRJHP-VIFPVBQESA-N 0 1 234.303 2.372 20 0 BEADMN FCCNCc1cnc(-c2ccccn2)s1 ZINC000309596532 385724663 /nfs/dbraw/zinc/72/46/63/385724663.db2.gz UUBUTTUOWWLOLB-UHFFFAOYSA-N 0 1 237.303 2.264 20 0 BEADMN CC(C)(C)CCCS(=O)(=O)c1ncc[nH]1 ZINC000282007621 385725799 /nfs/dbraw/zinc/72/57/99/385725799.db2.gz XQYYKLKFRKBYDQ-UHFFFAOYSA-N 0 1 230.333 2.010 20 0 BEADMN Cc1noc(C)c1CN[C@@H](C)COC(C)C ZINC000309596441 385725999 /nfs/dbraw/zinc/72/59/99/385725999.db2.gz WHGIVBJDHFQVMH-VIFPVBQESA-N 0 1 226.320 2.195 20 0 BEADMN c1nc(CNC[C@H]2CCCCS2)co1 ZINC000336691169 385726069 /nfs/dbraw/zinc/72/60/69/385726069.db2.gz PIANSGJSACRFRJ-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)C(=O)c1cnc[nH]1 ZINC000283144318 385810012 /nfs/dbraw/zinc/81/00/12/385810012.db2.gz IXNLTFKZSRGRLW-JTQLQIEISA-N 0 1 235.331 2.451 20 0 BEADMN CC(C)(CO)NCc1ccnc(Cl)c1Cl ZINC000283968094 385811002 /nfs/dbraw/zinc/81/10/02/385811002.db2.gz IRGRNGKTEPUSHC-UHFFFAOYSA-N 0 1 249.141 2.249 20 0 BEADMN Cc1nc(CCN2CCSC[C@H]2C)cs1 ZINC000271304059 385814884 /nfs/dbraw/zinc/81/48/84/385814884.db2.gz POFDIRANZFBONC-SECBINFHSA-N 0 1 242.413 2.431 20 0 BEADMN CCN(CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271300565 385815018 /nfs/dbraw/zinc/81/50/18/385815018.db2.gz ONJUGESPGKVEES-JTQLQIEISA-N 0 1 245.326 2.476 20 0 BEADMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCCC1 ZINC000271302922 385815448 /nfs/dbraw/zinc/81/54/48/385815448.db2.gz PFFNZDVEZDPZJL-JTQLQIEISA-N 0 1 243.310 2.230 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)C1CC1 ZINC000271324182 385817490 /nfs/dbraw/zinc/81/74/90/385817490.db2.gz XVVRNZIVQLDTLJ-UHFFFAOYSA-N 0 1 215.203 2.004 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000354163037 385817855 /nfs/dbraw/zinc/81/78/55/385817855.db2.gz LAAZHQCCICYPMG-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000261586223 385822984 /nfs/dbraw/zinc/82/29/84/385822984.db2.gz UIBVWJJJZIDNBH-BZPMIXESSA-N 0 1 246.354 2.109 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2ccc(C)c(F)c2)C[C@H]1O ZINC000271405107 385825071 /nfs/dbraw/zinc/82/50/71/385825071.db2.gz WNZGHKKVQLKFEK-GXTWGEPZSA-N 0 1 237.318 2.337 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1CC12CC2 ZINC000643369988 385830486 /nfs/dbraw/zinc/83/04/86/385830486.db2.gz UYJJVVIRPZMHPW-YFKPBYRVSA-N 0 1 245.204 2.167 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cnccc1C ZINC000271480600 385832982 /nfs/dbraw/zinc/83/29/82/385832982.db2.gz LTIXYHDVDOSQDM-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN CCc1ccc(CC[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000262090989 385835052 /nfs/dbraw/zinc/83/50/52/385835052.db2.gz GZNKXSBOZXADGS-CQSZACIVSA-N 0 1 247.338 2.341 20 0 BEADMN FCCNCc1cc2ccc(F)cc2[nH]1 ZINC000336738257 385835240 /nfs/dbraw/zinc/83/52/40/385835240.db2.gz RAVKMEFSTGIVJI-UHFFFAOYSA-N 0 1 210.227 2.366 20 0 BEADMN CC(C)N(C(=O)c1ccc2cncn2c1)C1CC1 ZINC000283899180 385838401 /nfs/dbraw/zinc/83/84/01/385838401.db2.gz ITJFBFZSOUDQJB-UHFFFAOYSA-N 0 1 243.310 2.347 20 0 BEADMN Cc1c(CN[C@@H](C)c2cnccc2C)cnn1C ZINC000271574267 385838525 /nfs/dbraw/zinc/83/85/25/385838525.db2.gz XMSZFJIOTSRMMT-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000283969379 385843949 /nfs/dbraw/zinc/84/39/49/385843949.db2.gz LYJHSWNKRDNKMC-UONOGXRCSA-N 0 1 242.326 2.231 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCCC(C)C ZINC000294390596 385844597 /nfs/dbraw/zinc/84/45/97/385844597.db2.gz OBCPJCAWPLUMSQ-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000335747870 385850736 /nfs/dbraw/zinc/85/07/36/385850736.db2.gz WLTFOIHMYPFXSM-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN CCCCCNC(=O)CN1CCCC(C)(C)C1 ZINC000112731898 385884459 /nfs/dbraw/zinc/88/44/59/385884459.db2.gz YGGRPGDBIYPKHF-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CC(C)[C@@H](NC(=O)CN(C)C)c1ccccc1 ZINC000284805626 385887066 /nfs/dbraw/zinc/88/70/66/385887066.db2.gz WMWGEYBVFXIVHJ-CQSZACIVSA-N 0 1 234.343 2.062 20 0 BEADMN CC(C)c1nc(CNCc2ccc(F)cc2)n[nH]1 ZINC000294748098 385892313 /nfs/dbraw/zinc/89/23/13/385892313.db2.gz HVXOQONFPJDMIF-UHFFFAOYSA-N 0 1 248.305 2.357 20 0 BEADMN CCN(CCOC)Cc1cc(OC)ccc1F ZINC000294812299 385899840 /nfs/dbraw/zinc/89/98/40/385899840.db2.gz FEAUWXLHFXWRGP-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN Clc1ccc(NCc2n[nH]c(C3CC3)n2)nc1 ZINC000294871061 385907716 /nfs/dbraw/zinc/90/77/16/385907716.db2.gz DFLOSXWVCQPVOL-UHFFFAOYSA-N 0 1 249.705 2.343 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](O)C2)o1 ZINC000294876351 385907722 /nfs/dbraw/zinc/90/77/22/385907722.db2.gz PSILAZRLLIHIMV-MWGHHZFTSA-N 0 1 221.300 2.016 20 0 BEADMN Cc1nc(CN2C[C@@H]3CCC[C@@H]3C2)co1 ZINC000647966572 385910439 /nfs/dbraw/zinc/91/04/39/385910439.db2.gz ZKBZIRPDGQARTL-PHIMTYICSA-N 0 1 206.289 2.215 20 0 BEADMN COC[C@@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000294898997 385911278 /nfs/dbraw/zinc/91/12/78/385911278.db2.gz XCKXSLRTVMGDAG-MRVPVSSYSA-N 0 1 248.248 2.225 20 0 BEADMN Cc1nnc(NC(=O)c2sccc2Cl)[nH]1 ZINC000127825223 385919004 /nfs/dbraw/zinc/91/90/04/385919004.db2.gz IDHBPDNFNORNME-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN Cc1n[nH]c(NC(=O)c2sccc2Cl)n1 ZINC000127825223 385919007 /nfs/dbraw/zinc/91/90/07/385919007.db2.gz IDHBPDNFNORNME-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN CCOCCN1CCOc2ccc(C)cc2C1 ZINC000285393045 385920328 /nfs/dbraw/zinc/92/03/28/385920328.db2.gz CDMHGYDJUSGTIY-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC[C@@H]1C ZINC000294949391 385924864 /nfs/dbraw/zinc/92/48/64/385924864.db2.gz FHPUGKVZDZUAKK-WCQYABFASA-N 0 1 232.327 2.006 20 0 BEADMN COc1ncc(CNCCC(F)(F)F)s1 ZINC000308981952 385927132 /nfs/dbraw/zinc/92/71/32/385927132.db2.gz FGXDQOYXNLSXAB-UHFFFAOYSA-N 0 1 240.250 2.194 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncc(C)c2)n(C)n1 ZINC000284379083 385865768 /nfs/dbraw/zinc/86/57/68/385865768.db2.gz OQRUSBVTDUUHFP-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@@]1(CCCO)CCCN1Cc1cscn1 ZINC000272037775 385869419 /nfs/dbraw/zinc/86/94/19/385869419.db2.gz QKKRODLCFAIJJB-LBPRGKRZSA-N 0 1 240.372 2.270 20 0 BEADMN CCN1CCN(Cc2csc(C)c2)CC1 ZINC000294585080 385871106 /nfs/dbraw/zinc/87/11/06/385871106.db2.gz QYNLSJLQVDTSKH-UHFFFAOYSA-N 0 1 224.373 2.194 20 0 BEADMN CC(C)C[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284551697 385876047 /nfs/dbraw/zinc/87/60/47/385876047.db2.gz BMIRONJKWICAIR-NSHDSACASA-N 0 1 245.326 2.499 20 0 BEADMN C[C@H](NC(=O)C[C@@H]1C=CCC1)C1=CC[N@@H+](C)CC1 ZINC000272733042 385928218 /nfs/dbraw/zinc/92/82/18/385928218.db2.gz LUIVTZJSXWJCOW-QWHCGFSZSA-N 0 1 248.370 2.109 20 0 BEADMN C[C@H]1[C@H](C)N(C(=O)CCCC2CC2)CCN1C ZINC000643238663 385878716 /nfs/dbraw/zinc/87/87/16/385878716.db2.gz CUSRCPJCYLHARE-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCc2nc[nH]c2C1 ZINC000647736057 385878798 /nfs/dbraw/zinc/87/87/98/385878798.db2.gz YFYJZHUUTMJKJK-JTQLQIEISA-N 0 1 235.331 2.121 20 0 BEADMN C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1F ZINC000338014962 385879474 /nfs/dbraw/zinc/87/94/74/385879474.db2.gz INELLASUAAKVOU-WDEREUQCSA-N 0 1 249.333 2.108 20 0 BEADMN Cc1cnccc1CN1C[C@H](C)OC(C)(C)C1 ZINC000294665170 385879557 /nfs/dbraw/zinc/87/95/57/385879557.db2.gz CHPHSHPVMTXNML-LBPRGKRZSA-N 0 1 234.343 2.389 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000262737592 385880125 /nfs/dbraw/zinc/88/01/25/385880125.db2.gz AVBDBNOWHQCNTD-WCQYABFASA-N 0 1 248.326 2.036 20 0 BEADMN COc1nccnc1CN1CCC[C@H](C)[C@H]1C ZINC000294685450 385881549 /nfs/dbraw/zinc/88/15/49/385881549.db2.gz DMBDCNIFLCEDJZ-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CCc1nc(-c2nc(C3(N)CCCC3)no2)co1 ZINC000414620064 385975428 /nfs/dbraw/zinc/97/54/28/385975428.db2.gz PEBOMTRCNBLTQR-UHFFFAOYSA-N 0 1 248.286 2.015 20 0 BEADMN CN(Cc1ccc(Cl)cn1)[C@@H]1CCCOC1 ZINC000335017219 385975546 /nfs/dbraw/zinc/97/55/46/385975546.db2.gz PTOVEULOMGUDOZ-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cc(OC)ccc1F ZINC000295168152 385983306 /nfs/dbraw/zinc/98/33/06/385983306.db2.gz TXANEIFFHFQAIC-NSHDSACASA-N 0 1 241.306 2.037 20 0 BEADMN NC1(c2noc(CCCC(F)(F)F)n2)CCC1 ZINC000414623936 385988576 /nfs/dbraw/zinc/98/85/76/385988576.db2.gz FULDEXRTXLTKJU-UHFFFAOYSA-N 0 1 249.236 2.293 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000414141694 385989531 /nfs/dbraw/zinc/98/95/31/385989531.db2.gz KGUQFYNYECPMCD-WXHSDQCUSA-N 0 1 237.347 2.028 20 0 BEADMN CC/C=C\CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414144641 385992790 /nfs/dbraw/zinc/99/27/90/385992790.db2.gz JTWSJUVSDQHUJB-DOGVGXBMSA-N 0 1 219.332 2.446 20 0 BEADMN CC(C)(C)SCCSc1cn[nH]n1 ZINC000282602537 385931682 /nfs/dbraw/zinc/93/16/82/385931682.db2.gz GDPXIJRXZWGCSV-UHFFFAOYSA-N 0 1 217.363 2.429 20 0 BEADMN Cn1ncc(Cl)c1CN[C@@H]1CSC1(C)C ZINC000282644236 385934716 /nfs/dbraw/zinc/93/47/16/385934716.db2.gz HIALFSSFKMREJG-SECBINFHSA-N 0 1 245.779 2.057 20 0 BEADMN CC(C)[C@H](N[C@@H]1C=CCCC1)c1nncn1C ZINC000285527325 385936127 /nfs/dbraw/zinc/93/61/27/385936127.db2.gz ZQBAUHIOXJJROY-NEPJUHHUSA-N 0 1 234.347 2.211 20 0 BEADMN CC(C)[C@H](N[C@H]1C=CCCC1)c1nncn1C ZINC000285527327 385937174 /nfs/dbraw/zinc/93/71/74/385937174.db2.gz ZQBAUHIOXJJROY-RYUDHWBXSA-N 0 1 234.347 2.211 20 0 BEADMN COCc1ccc(CN[C@H]2CSC2(C)C)o1 ZINC000282657881 385939452 /nfs/dbraw/zinc/93/94/52/385939452.db2.gz IIXMCNLFLQUQTO-NSHDSACASA-N 0 1 241.356 2.410 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CCCCCF ZINC000342177823 385940525 /nfs/dbraw/zinc/94/05/25/385940525.db2.gz WUIGALFCRLVPBM-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cccnc1Cl ZINC000189112267 385940881 /nfs/dbraw/zinc/94/08/81/385940881.db2.gz SSTPXYLPXBISBB-DTWKUNHWSA-N 0 1 228.723 2.248 20 0 BEADMN COc1nccnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000295011473 385941014 /nfs/dbraw/zinc/94/10/14/385941014.db2.gz ZIARIWRICZTMSD-AAEUAGOBSA-N 0 1 247.342 2.250 20 0 BEADMN CC(C)(C)CCN1CCO[C@H](C(=O)C2CC2)C1 ZINC000338286828 385943673 /nfs/dbraw/zinc/94/36/73/385943673.db2.gz XIEDUJAIPWJUJU-LBPRGKRZSA-N 0 1 239.359 2.103 20 0 BEADMN C[C@H]1CN(C(=O)C2(C)CCCCCC2)CCN1 ZINC000335056197 385956090 /nfs/dbraw/zinc/95/60/90/385956090.db2.gz DEXFWYBISBSUAZ-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC(=O)c1cccc(CN(C)CC2(CO)CC2)c1 ZINC000295070212 385956741 /nfs/dbraw/zinc/95/67/41/385956741.db2.gz AFPKXDVPLZFTEM-UHFFFAOYSA-N 0 1 247.338 2.094 20 0 BEADMN Cc1ccc(O)c(-c2nc(C3(N)CCC3)no2)c1 ZINC000414626730 385993949 /nfs/dbraw/zinc/99/39/49/385993949.db2.gz KRNAZLHZKZFKBS-UHFFFAOYSA-N 0 1 245.282 2.089 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000273032179 385960366 /nfs/dbraw/zinc/96/03/66/385960366.db2.gz FUDCZOIHMSQGHN-NDMJEZRESA-N 0 1 247.342 2.369 20 0 BEADMN COCC(C)(C)c1nc([C@@H](N)CC(C)C)no1 ZINC000414617771 385960524 /nfs/dbraw/zinc/96/05/24/385960524.db2.gz LWDMEABIMYTHBO-VIFPVBQESA-N 0 1 241.335 2.040 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@@](F)(CO)C2)c1 ZINC000335059023 385961838 /nfs/dbraw/zinc/96/18/38/385961838.db2.gz BKINVPLPAUBRCU-JSGCOSHPSA-N 0 1 237.318 2.462 20 0 BEADMN C[C@@H](NC[C@]1(C)CCCO1)c1cc2n(n1)CCC2 ZINC000414099404 385962424 /nfs/dbraw/zinc/96/24/24/385962424.db2.gz JPCNZEIDCOLUAC-RISCZKNCSA-N 0 1 249.358 2.049 20 0 BEADMN Cc1ccc([C@@H](C)NCN2CCC(=O)CC2)cc1 ZINC000273049426 385963979 /nfs/dbraw/zinc/96/39/79/385963979.db2.gz HOOGJPQTPFJCBE-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)Cc1cn(C)nn1 ZINC000338358543 385965956 /nfs/dbraw/zinc/96/59/56/385965956.db2.gz RFQGMEQRULYNRJ-NSHDSACASA-N 0 1 236.363 2.216 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000414108913 385968674 /nfs/dbraw/zinc/96/86/74/385968674.db2.gz KGUQFYNYECPMCD-RAIGVLPGSA-N 0 1 237.347 2.028 20 0 BEADMN CCOC[C@H](N[C@H](C)c1ccn(C)n1)C(C)C ZINC000414123378 385972693 /nfs/dbraw/zinc/97/26/93/385972693.db2.gz BEYCWLYYUHIMBD-YPMHNXCESA-N 0 1 239.363 2.132 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)[C@@H]1C ZINC000425419554 385998314 /nfs/dbraw/zinc/99/83/14/385998314.db2.gz KAAAFMLLDBQBOL-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CCc1cccc(-c2nc(C3(N)CCC3)no2)n1 ZINC000414628086 385999232 /nfs/dbraw/zinc/99/92/32/385999232.db2.gz NKKCAOOQPTZYFG-UHFFFAOYSA-N 0 1 244.298 2.032 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2nccn2C)C1 ZINC000414152296 386003003 /nfs/dbraw/zinc/00/30/03/386003003.db2.gz XIGHWKHXRAWDQK-SDDRHHMPSA-N 0 1 237.347 2.027 20 0 BEADMN CCN(CC(C)C)C(=O)c1cnccc1N(C)C ZINC000273458101 386005321 /nfs/dbraw/zinc/00/53/21/386005321.db2.gz DXTCZZZEUTVCDV-UHFFFAOYSA-N 0 1 249.358 2.266 20 0 BEADMN Cc1[nH]ncc1CNC(=O)O[C@@H](C)CC(C)C ZINC000295586482 386056089 /nfs/dbraw/zinc/05/60/89/386056089.db2.gz ZZBIHJWVGLASMK-VIFPVBQESA-N 0 1 239.319 2.379 20 0 BEADMN Cc1cc(CNCCOC2CCCC2)on1 ZINC000309419198 386009396 /nfs/dbraw/zinc/00/93/96/386009396.db2.gz LEGJSLRUOQFOBS-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN CC[C@@H](F)CN[C@@H](CO)c1sccc1C ZINC000336770239 386011289 /nfs/dbraw/zinc/01/12/89/386011289.db2.gz VLFJBNQAQIHHNS-ZJUUUORDSA-N 0 1 231.336 2.428 20 0 BEADMN Cc1cc(C2CCN(C(=O)CC3CC3)CC2)n[nH]1 ZINC000273571348 386013153 /nfs/dbraw/zinc/01/31/53/386013153.db2.gz DFVKAFFLGZQJHI-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN CCc1nnc(S[C@@H]2CCO[C@H](C)C2)[nH]1 ZINC000516664130 386013689 /nfs/dbraw/zinc/01/36/89/386013689.db2.gz KZTDFWJRAQTNCH-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCO[C@H](C)C2)n1 ZINC000516664130 386013699 /nfs/dbraw/zinc/01/36/99/386013699.db2.gz KZTDFWJRAQTNCH-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CC(C(=O)N[C@H](C)c1n[nH]c(C)n1)=C1CCCC1 ZINC000286308357 386024021 /nfs/dbraw/zinc/02/40/21/386024021.db2.gz ITBIJAQVLLYBFT-SECBINFHSA-N 0 1 248.330 2.181 20 0 BEADMN Cc1nocc1C[N@H+]1CCSC(C)(C)C1 ZINC000295396417 386025928 /nfs/dbraw/zinc/02/59/28/386025928.db2.gz QILPKJBSKOSEHN-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1nocc1CN1CCSC(C)(C)C1 ZINC000295396417 386025933 /nfs/dbraw/zinc/02/59/33/386025933.db2.gz QILPKJBSKOSEHN-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](CCc2ccncc2)C1 ZINC000295415396 386029645 /nfs/dbraw/zinc/02/96/45/386029645.db2.gz NBNGRXZPYFHQTE-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN C[C@@]1(F)CCCN(CCc2ccncc2)C1 ZINC000295415396 386029652 /nfs/dbraw/zinc/02/96/52/386029652.db2.gz NBNGRXZPYFHQTE-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN COc1nccnc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000295433377 386032189 /nfs/dbraw/zinc/03/21/89/386032189.db2.gz OVYSTAJWBLXQLB-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN CC[C@@H](C)CCC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286408915 386035358 /nfs/dbraw/zinc/03/53/58/386035358.db2.gz OVLYAEVYEYAWCG-RKDXNWHRSA-N 0 1 238.335 2.117 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H](C)c2ccn(C)n2)C12CCC2 ZINC000414200655 386036685 /nfs/dbraw/zinc/03/66/85/386036685.db2.gz XOAHVULGBZVCRF-KGYLQXTDSA-N 0 1 249.358 2.028 20 0 BEADMN CCCCC[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000117883518 386038199 /nfs/dbraw/zinc/03/81/99/386038199.db2.gz BTNVGHJWCZVQFQ-LBPRGKRZSA-N 0 1 249.420 2.322 20 0 BEADMN CCCCCN(CC)[C@@H](C)CS(=O)(=O)CC ZINC000117883518 386038207 /nfs/dbraw/zinc/03/82/07/386038207.db2.gz BTNVGHJWCZVQFQ-LBPRGKRZSA-N 0 1 249.420 2.322 20 0 BEADMN C[C@@H](N[C@H]1CCSC1)c1cscn1 ZINC000222148388 386038278 /nfs/dbraw/zinc/03/82/78/386038278.db2.gz OOLSLJDGWXEFDJ-SFYZADRCSA-N 0 1 214.359 2.299 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1nccs1 ZINC000414200613 386038339 /nfs/dbraw/zinc/03/83/39/386038339.db2.gz DGGPMWRPYSAXOZ-AEJSXWLSSA-N 0 1 226.345 2.361 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@H]1CC)c1ccn(C)n1 ZINC000414202257 386038372 /nfs/dbraw/zinc/03/83/72/386038372.db2.gz FQWRLOUNTFAOEV-UHTWSYAYSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C[C@H]2C=CCCC2)n[nH]1 ZINC000286465577 386040451 /nfs/dbraw/zinc/04/04/51/386040451.db2.gz SZEVJSRBKNQGGS-KOLCDFICSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C=C2CC[C@@H](C)C2)n[nH]1 ZINC000286451002 386042132 /nfs/dbraw/zinc/04/21/32/386042132.db2.gz RZABBIXCDFUPLH-VDEVDEQPSA-N 0 1 248.330 2.037 20 0 BEADMN COC(C)(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000335077002 386047194 /nfs/dbraw/zinc/04/71/94/386047194.db2.gz SXTAONFAKAQSRT-UHFFFAOYSA-N 0 1 245.225 2.034 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)CC2=CCCCC2)n[nH]1 ZINC000286524607 386047304 /nfs/dbraw/zinc/04/73/04/386047304.db2.gz YDMSNGJYQQNUOB-SECBINFHSA-N 0 1 248.330 2.181 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000335078215 386049685 /nfs/dbraw/zinc/04/96/85/386049685.db2.gz LNGRSBOKERMRAS-JTQLQIEISA-N 0 1 235.331 2.308 20 0 BEADMN CO[C@@](C)([C@@H](C)N[C@H]1CCn2ccnc21)C1CC1 ZINC000414244717 386054889 /nfs/dbraw/zinc/05/48/89/386054889.db2.gz SJEDKQLMZWEXPH-OSMZGAPFSA-N 0 1 249.358 2.121 20 0 BEADMN CO[C@H](c1nc([C@@H](N)CC(C)C)no1)C(C)C ZINC000414626557 385995700 /nfs/dbraw/zinc/99/57/00/385995700.db2.gz YLVITEADKYFIJS-UWVGGRQHSA-N 0 1 241.335 2.459 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2CCCOC2)o1 ZINC000426339776 386102987 /nfs/dbraw/zinc/10/29/87/386102987.db2.gz XIWIVYXEMVBNQD-NSHDSACASA-N 0 1 238.331 2.204 20 0 BEADMN C[C@H]1CSC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000295913162 386106293 /nfs/dbraw/zinc/10/62/93/386106293.db2.gz ZOXJRNASXJJGGD-WRWORJQWSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@H]1CSC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000295913162 386106299 /nfs/dbraw/zinc/10/62/99/386106299.db2.gz ZOXJRNASXJJGGD-WRWORJQWSA-N 0 1 234.328 2.121 20 0 BEADMN CC[C@H](C[C@H](C)CO)N[C@@H](C)c1cc(C)on1 ZINC000340520257 386108159 /nfs/dbraw/zinc/10/81/59/386108159.db2.gz PPCJBWWRXMVHQN-ZMLRMANQSA-N 0 1 240.347 2.431 20 0 BEADMN CC[C@H](C[C@@H](C)CO)N[C@@H](C)c1cc(C)on1 ZINC000340520254 386108176 /nfs/dbraw/zinc/10/81/76/386108176.db2.gz PPCJBWWRXMVHQN-ADEWGFFLSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1noc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000037980783 386109027 /nfs/dbraw/zinc/10/90/27/386109027.db2.gz ZPXYYRXRTDIGJY-WPRPVWTQSA-N 0 1 209.293 2.046 20 0 BEADMN COC[C@@H](C)NCc1nc2ccccc2s1 ZINC000037977693 386110788 /nfs/dbraw/zinc/11/07/88/386110788.db2.gz YJCSINROVBXLTP-SECBINFHSA-N 0 1 236.340 2.421 20 0 BEADMN CC[C@H]1CCCN([C@@H](C)c2nncn2C)CC1 ZINC000334457119 386111446 /nfs/dbraw/zinc/11/14/46/386111446.db2.gz IBRJNWWQUCXNCF-RYUDHWBXSA-N 0 1 236.363 2.388 20 0 BEADMN Cc1noc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000334460677 386123925 /nfs/dbraw/zinc/12/39/25/386123925.db2.gz UXSPYFIMDOOITE-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCC(C)(C)C ZINC000038025203 386113867 /nfs/dbraw/zinc/11/38/67/386113867.db2.gz ITVLZZBIXQJFCJ-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN C[C@H](NCC1=CCCOC1)c1ccco1 ZINC000124634843 386117892 /nfs/dbraw/zinc/11/78/92/386117892.db2.gz LGKPQMBHHVLMPN-JTQLQIEISA-N 0 1 207.273 2.277 20 0 BEADMN CC(=O)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000295989097 386119303 /nfs/dbraw/zinc/11/93/03/386119303.db2.gz LUVQSIORPJOUCL-CQSZACIVSA-N 0 1 247.338 2.092 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@H]1CCCC[C@@H]1C ZINC000334435516 386058778 /nfs/dbraw/zinc/05/87/78/386058778.db2.gz ZHKWSZXAOMATMJ-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@H](CO)[C@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000295638817 386066713 /nfs/dbraw/zinc/06/67/13/386066713.db2.gz BZBSIAUHRTVLIH-VWYCJHECSA-N 0 1 248.326 2.495 20 0 BEADMN CCn1ccc(CN[C@H](COC)CC(C)C)n1 ZINC000414215730 386070375 /nfs/dbraw/zinc/07/03/75/386070375.db2.gz YKGWHEPCCRABGC-ZDUSSCGKSA-N 0 1 239.363 2.054 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CS[C@H](C)C2)nn1C ZINC000414226631 386074689 /nfs/dbraw/zinc/07/46/89/386074689.db2.gz KCNHTECVAPVASP-VWYCJHECSA-N 0 1 239.388 2.273 20 0 BEADMN COC1([C@@H](C)N[C@H](C)c2nccn2C)CCC1 ZINC000414302228 386079377 /nfs/dbraw/zinc/07/93/77/386079377.db2.gz KHNCXIOOKYJMHD-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H]1CN(Cc2cccc(C(C)=O)c2)C[C@@H]1O ZINC000295751494 386081772 /nfs/dbraw/zinc/08/17/72/386081772.db2.gz ATFGXBMWPBTQOA-ZFWWWQNUSA-N 0 1 247.338 2.092 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000345283070 386089093 /nfs/dbraw/zinc/08/90/93/386089093.db2.gz JBQKTHGNLLFOKD-SCVCMEIPSA-N 0 1 249.358 2.202 20 0 BEADMN CCCC[C@@H](CC)NCc1nc2ncccn2n1 ZINC000414275714 386089606 /nfs/dbraw/zinc/08/96/06/386089606.db2.gz XAFNTYZJTYJSEL-LLVKDONJSA-N 0 1 247.346 2.183 20 0 BEADMN C[C@@H]1CN(Cc2cccc3cnccc32)CCO1 ZINC000183011986 386091257 /nfs/dbraw/zinc/09/12/57/386091257.db2.gz PEKXIILCVIPLFW-GFCCVEGCSA-N 0 1 242.322 2.456 20 0 BEADMN COc1ccncc1CN1CCC(C)(C)C1 ZINC000334460703 386123249 /nfs/dbraw/zinc/12/32/49/386123249.db2.gz NPPIMSDNWSTRII-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1ncc(C)s1 ZINC000234774378 386099404 /nfs/dbraw/zinc/09/94/04/386099404.db2.gz LLXLOLAWYDRJQL-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@H]1CCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425452445 386100086 /nfs/dbraw/zinc/10/00/86/386100086.db2.gz XFYNTTBMJXCILX-BQBZGAKWSA-N 0 1 231.246 2.285 20 0 BEADMN Cc1ccncc1CN1C[C@@H]2C[C@H]1CS2 ZINC000335152692 386145003 /nfs/dbraw/zinc/14/50/03/386145003.db2.gz CKXNVYWDNCECNY-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN Cc1cc(CNCCSCC(C)C)nn1C ZINC000414364772 386149528 /nfs/dbraw/zinc/14/95/28/386149528.db2.gz JHPALVRPPLMDPF-UHFFFAOYSA-N 0 1 241.404 2.207 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc3nc[nH]c3c2)C[C@H]1F ZINC000335156464 386149848 /nfs/dbraw/zinc/14/98/48/386149848.db2.gz QNBHUYTVQBZVGN-ZYHUDNBSSA-N 0 1 233.246 2.250 20 0 BEADMN C(=C/c1ccncc1)\CN1CC2(C1)CCOCC2 ZINC000335156771 386150074 /nfs/dbraw/zinc/15/00/74/386150074.db2.gz WAHFETSYSPHAPS-OWOJBTEDSA-N 0 1 244.338 2.207 20 0 BEADMN CN(C)CC(=O)NCc1cc2ccccc2s1 ZINC000263915084 386189924 /nfs/dbraw/zinc/18/99/24/386189924.db2.gz XNFWQEKRDKDIFS-UHFFFAOYSA-N 0 1 248.351 2.079 20 0 BEADMN CC[C@@H](N[C@H](C)C(=O)NC(C)C)c1ccncc1 ZINC000414351721 386154389 /nfs/dbraw/zinc/15/43/89/386154389.db2.gz WARBIEBDQKZCMG-DGCLKSJQSA-N 0 1 249.358 2.035 20 0 BEADMN CC(C)=CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000365560838 386157391 /nfs/dbraw/zinc/15/73/91/386157391.db2.gz WPVOSFADIHFTIU-DGCLKSJQSA-N 0 1 209.333 2.452 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000296641596 386190386 /nfs/dbraw/zinc/19/03/86/386190386.db2.gz CDPUIKVUUJEFTN-JGVFFNPUSA-N 0 1 246.713 2.387 20 0 BEADMN CN[C@H](C)c1cn(C[C@H]2CCC[C@@H](C)C2)nn1 ZINC000310181081 386162784 /nfs/dbraw/zinc/16/27/84/386162784.db2.gz WIHQKNKMLCPQKG-UTUOFQBUSA-N 0 1 236.363 2.385 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1CCCC[C@@H]1C ZINC000346137773 386165565 /nfs/dbraw/zinc/16/55/65/386165565.db2.gz JAFTZUCDQIHCMV-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CCN(Cc1ccccc1C)C(=O)c1cnc[nH]1 ZINC000263695813 386167870 /nfs/dbraw/zinc/16/78/70/386167870.db2.gz QYVVLYFUDLGZAJ-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc2[nH]ccc21 ZINC000263719819 386169493 /nfs/dbraw/zinc/16/94/93/386169493.db2.gz JXHCQLLXSDZDNR-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCc1nocc1CN(C)[C@@H](CO)C(C)(C)C ZINC000647969173 386172348 /nfs/dbraw/zinc/17/23/48/386172348.db2.gz PJMHRNASPYNZRI-LBPRGKRZSA-N 0 1 240.347 2.076 20 0 BEADMN CC/C=C/CN[C@@H](CC)c1nccn1C ZINC000296440826 386175199 /nfs/dbraw/zinc/17/51/99/386175199.db2.gz MHJUREIHLOEPND-MLRMMBSGSA-N 0 1 207.321 2.427 20 0 BEADMN Cc1noc([C@H]2CCN(CCC(F)(F)F)C2)n1 ZINC000346238186 386179884 /nfs/dbraw/zinc/17/98/84/386179884.db2.gz IRJGQVOEYMFDIK-QMMMGPOBSA-N 0 1 249.236 2.120 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H](C)C2)n[nH]1 ZINC000263838405 386183842 /nfs/dbraw/zinc/18/38/42/386183842.db2.gz WGKBNOXTRFJGBD-SECBINFHSA-N 0 1 221.304 2.015 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC1(C)C ZINC000346200018 386184468 /nfs/dbraw/zinc/18/44/68/386184468.db2.gz QSAJOWFIASONCX-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN COC1(C)CCN(Cc2cncc(F)c2)CC1 ZINC000275176040 386188402 /nfs/dbraw/zinc/18/84/02/386188402.db2.gz YXYPIJVWOLBEKK-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cncc(C)c1 ZINC000274606338 386127652 /nfs/dbraw/zinc/12/76/52/386127652.db2.gz MLOMATXEIAIALO-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN CO[C@H](CN1CCCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC000425463814 386133140 /nfs/dbraw/zinc/13/31/40/386133140.db2.gz YNWFPAZHILBJDL-ZIAGYGMSSA-N 0 1 249.358 2.362 20 0 BEADMN CC[C@H](N[C@@H]1CCC[C@H]1F)c1cnn(C)c1 ZINC000340529178 386138169 /nfs/dbraw/zinc/13/81/69/386138169.db2.gz ITTLFSKEVVRSTL-GRYCIOLGSA-N 0 1 225.311 2.351 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H]2C(C)C)n[nH]1 ZINC000334467164 386139790 /nfs/dbraw/zinc/13/97/90/386139790.db2.gz DYSSGBGWIXBXEG-GFCCVEGCSA-N 0 1 235.331 2.233 20 0 BEADMN CC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccn2)C1 ZINC000414354113 386140529 /nfs/dbraw/zinc/14/05/29/386140529.db2.gz ZSEUBPVKXWASAT-STQMWFEESA-N 0 1 233.359 2.135 20 0 BEADMN Cc1ccncc1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000275333667 386202344 /nfs/dbraw/zinc/20/23/44/386202344.db2.gz WLZQBTDEIPJEDR-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN CN(Cc1cccnc1)[C@H](CO)c1ccccc1 ZINC000264005933 386203034 /nfs/dbraw/zinc/20/30/34/386203034.db2.gz HHJOEERENZXBSE-OAHLLOKOSA-N 0 1 242.322 2.247 20 0 BEADMN C[C@@H](CF)NC(=O)c1ccc(O)c(Cl)c1 ZINC000288456673 386203445 /nfs/dbraw/zinc/20/34/45/386203445.db2.gz ZMBPBOOCUXSGGR-LURJTMIESA-N 0 1 231.654 2.133 20 0 BEADMN Cc1cc(CN2CC(C(C)(C)O)C2)ccc1F ZINC000297473910 386259511 /nfs/dbraw/zinc/25/95/11/386259511.db2.gz SSYADRHCEDUMQT-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CC[C@@H](C)CN(C)Cc1ncc(C)cn1 ZINC000336648868 386260041 /nfs/dbraw/zinc/26/00/41/386260041.db2.gz PYCHVZCHAWSOGB-SNVBAGLBSA-N 0 1 207.321 2.263 20 0 BEADMN Cc1[nH]ncc1CNC(=O)NCC1=CCCCC1 ZINC000297033562 386221646 /nfs/dbraw/zinc/22/16/46/386221646.db2.gz IYVBSVCDPLDDKX-UHFFFAOYSA-N 0 1 248.330 2.018 20 0 BEADMN CC(C)SCCN1CCO[C@@H](C2CC2)C1 ZINC000366968665 386229957 /nfs/dbraw/zinc/22/99/57/386229957.db2.gz GDTASLNKVYYGCG-GFCCVEGCSA-N 0 1 229.389 2.239 20 0 BEADMN COC(=O)c1cccc(NCc2[nH]ncc2C)c1 ZINC000340561370 386230850 /nfs/dbraw/zinc/23/08/50/386230850.db2.gz PCGMLNAERXQXDJ-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125171975 386231777 /nfs/dbraw/zinc/23/17/77/386231777.db2.gz ZFXIIVICGRMJCE-APPZFPTMSA-N 0 1 214.334 2.137 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCOC1CCC1 ZINC000347125445 386237413 /nfs/dbraw/zinc/23/74/13/386237413.db2.gz RBRASDMNZMNWHN-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)N(C(=O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000339091794 386242958 /nfs/dbraw/zinc/24/29/58/386242958.db2.gz UELAHOKPCDTZCO-UHFFFAOYSA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)N(C(=O)CN(C)C1CC1)C1CCCC1 ZINC000339091794 386242967 /nfs/dbraw/zinc/24/29/67/386242967.db2.gz UELAHOKPCDTZCO-UHFFFAOYSA-N 0 1 238.375 2.260 20 0 BEADMN O=C(NC[C@H]1CC12CC2)c1ccc(F)cc1O ZINC000416263243 386249862 /nfs/dbraw/zinc/24/98/62/386249862.db2.gz YDMFWEOBFUSKGB-MRVPVSSYSA-N 0 1 235.258 2.061 20 0 BEADMN O=C(NC[C@@H]1CC12CC2)c1ccc(F)cc1O ZINC000416263244 386249970 /nfs/dbraw/zinc/24/99/70/386249970.db2.gz YDMFWEOBFUSKGB-QMMMGPOBSA-N 0 1 235.258 2.061 20 0 BEADMN CCC1(CC)CN(Cc2cnn(C)c2)C1 ZINC000297407389 386254094 /nfs/dbraw/zinc/25/40/94/386254094.db2.gz KZHNFMWGGYUVHD-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN C[C@H](CF)NCc1ccc(N2CCCC2)nc1 ZINC000288385689 386192974 /nfs/dbraw/zinc/19/29/74/386192974.db2.gz GMVGEKHXMRBGOZ-LLVKDONJSA-N 0 1 237.322 2.129 20 0 BEADMN COc1nccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000296781326 386199233 /nfs/dbraw/zinc/19/92/33/386199233.db2.gz LUZWGGRZBMFJQW-AAEUAGOBSA-N 0 1 249.358 2.496 20 0 BEADMN COc1ncncc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000648001295 386199334 /nfs/dbraw/zinc/19/93/34/386199334.db2.gz GEGWQPYSGBYGDN-YPMHNXCESA-N 0 1 249.358 2.496 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000264907355 386281288 /nfs/dbraw/zinc/28/12/88/386281288.db2.gz YNEDEAJYIYMSRO-GXSJLCMTSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000264907358 386281928 /nfs/dbraw/zinc/28/19/28/386281928.db2.gz YNEDEAJYIYMSRO-MWLCHTKSSA-N 0 1 235.331 2.369 20 0 BEADMN CC[C@@H](C)CON=C([O-])Nc1cc[nH+]cc1C ZINC000297901668 386283420 /nfs/dbraw/zinc/28/34/20/386283420.db2.gz XOIGXRCVYQTYBX-SECBINFHSA-N 0 1 237.303 2.489 20 0 BEADMN CSCC[C@H](C)N(C)Cc1cc(C)n(C)n1 ZINC000336664202 386288626 /nfs/dbraw/zinc/28/86/26/386288626.db2.gz DZYZZDXXQRNRRB-JTQLQIEISA-N 0 1 241.404 2.302 20 0 BEADMN CN(Cc1cnc(N)s1)Cc1ccccc1 ZINC000058082860 386291378 /nfs/dbraw/zinc/29/13/78/386291378.db2.gz ZYIKRLGCGXETQX-UHFFFAOYSA-N 0 1 233.340 2.357 20 0 BEADMN C[N@@H+](Cc1ccc(F)cn1)[C@@H](CO)C(C)(C)C ZINC000276264173 386293986 /nfs/dbraw/zinc/29/39/86/386293986.db2.gz RMRDLUWJCZUXMK-LBPRGKRZSA-N 0 1 240.322 2.060 20 0 BEADMN C[C@H]1CC(C)(C)CN1C(=O)C(C)(C)c1c[nH]cn1 ZINC000335263725 386295141 /nfs/dbraw/zinc/29/51/41/386295141.db2.gz GYVXZRWHMNJELR-JTQLQIEISA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cc(-c2cnn(C)c2)no1 ZINC000335264845 386297013 /nfs/dbraw/zinc/29/70/13/386297013.db2.gz KKYSCYYZIUXTHA-AOOOYVTPSA-N 0 1 246.314 2.058 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)o1 ZINC000336661181 386301108 /nfs/dbraw/zinc/30/11/08/386301108.db2.gz FKQIVASILUJYIQ-OPRDCNLKSA-N 0 1 223.320 2.244 20 0 BEADMN C/C=C/C[C@H](CO)N[C@H](C)c1cscn1 ZINC000274678516 386302990 /nfs/dbraw/zinc/30/29/90/386302990.db2.gz ZPCUDEKKLASQIX-HIHHVFROSA-N 0 1 226.345 2.121 20 0 BEADMN c1coc([C@@H]2CN(CCC3CC3)CCO2)c1 ZINC000336668765 386311029 /nfs/dbraw/zinc/31/10/29/386311029.db2.gz RRIDMGRELVKUPL-ZDUSSCGKSA-N 0 1 221.300 2.453 20 0 BEADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)C(C)C ZINC000265157767 386312029 /nfs/dbraw/zinc/31/20/29/386312029.db2.gz AISIIRZWSXFPCR-JTQLQIEISA-N 0 1 223.320 2.191 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000289483850 386314571 /nfs/dbraw/zinc/31/45/71/386314571.db2.gz RZNQCLRQOSPBHB-CYBMUJFWSA-N 0 1 246.354 2.330 20 0 BEADMN CCN(CCC(F)(F)F)[C@@H]1CCOC1 ZINC000336671227 386319266 /nfs/dbraw/zinc/31/92/66/386319266.db2.gz IOOHPOVVGCMPQV-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@@H](C)O2)cs1 ZINC000148624775 386319901 /nfs/dbraw/zinc/31/99/01/386319901.db2.gz HROUQGIXYSYUMI-KCJUWKMLSA-N 0 1 226.345 2.109 20 0 BEADMN CCOC(=O)[C@H](CC)N(C[C@H]1C[C@H]1C)C1CC1 ZINC000488587157 386322844 /nfs/dbraw/zinc/32/28/44/386322844.db2.gz XUCZECYWXQVBSC-WZRBSPASSA-N 0 1 239.359 2.449 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000264694960 386263170 /nfs/dbraw/zinc/26/31/70/386263170.db2.gz AVZRQIQSDCNJGA-JOYOIKCWSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ccncc1CCCN1CCOC[C@H]1C ZINC000289174817 386267870 /nfs/dbraw/zinc/26/78/70/386267870.db2.gz SFQTYIIHMREPSL-CYBMUJFWSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@H]1CCN(Cc2cc(COC)on2)C1 ZINC000297635555 386269258 /nfs/dbraw/zinc/26/92/58/386269258.db2.gz ICHROYONDWZDQF-JTQLQIEISA-N 0 1 224.304 2.053 20 0 BEADMN Cc1cc(CN(C)CC(C)(C)C)nn1C ZINC000336652647 386269595 /nfs/dbraw/zinc/26/95/95/386269595.db2.gz XCUZRDUWBDPQEL-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN CC[C@@]1(C)CN(CCOC2CCC2)CCO1 ZINC000347183705 386271904 /nfs/dbraw/zinc/27/19/04/386271904.db2.gz LPNGWFWGWCZORF-ZDUSSCGKSA-N 0 1 227.348 2.056 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)C2(C)CC2)nn1C ZINC000336683128 386340990 /nfs/dbraw/zinc/34/09/90/386340990.db2.gz SKJQKMWHMXCMMT-NSHDSACASA-N 0 1 221.348 2.349 20 0 BEADMN COC(=O)[C@@H](c1ccccc1)N1CC[C@H](C)C1 ZINC000265470728 386342190 /nfs/dbraw/zinc/34/21/90/386342190.db2.gz PKGOWVBFPFRFFW-WCQYABFASA-N 0 1 233.311 2.243 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000265495263 386343565 /nfs/dbraw/zinc/34/35/65/386343565.db2.gz DHHNMSNPFZAEEP-JTQLQIEISA-N 0 1 221.304 2.060 20 0 BEADMN CCCCOCCN1CC[C@@](C)(F)C1 ZINC000347349831 386346123 /nfs/dbraw/zinc/34/61/23/386346123.db2.gz ITFVICYVSYKLEC-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1Cc1ccno1 ZINC000265516595 386347754 /nfs/dbraw/zinc/34/77/54/386347754.db2.gz NEQQOWDPYJZXLK-BDAKNGLRSA-N 0 1 212.318 2.000 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)n[nH]1 ZINC000334493004 386349488 /nfs/dbraw/zinc/34/94/88/386349488.db2.gz UOFIANYNTIEHSB-SNVBAGLBSA-N 0 1 233.315 2.123 20 0 BEADMN C[C@@H]1N(CCOC(C)(C)C)CCOC1(C)C ZINC000336687736 386351149 /nfs/dbraw/zinc/35/11/49/386351149.db2.gz XQHWIGRCTXKNSG-NSHDSACASA-N 0 1 229.364 2.301 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)ccc1OC ZINC000339283766 386352188 /nfs/dbraw/zinc/35/21/88/386352188.db2.gz LSMBTTFXETWPON-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN CCCCN(CC(F)(F)F)C(=O)c1cnc[nH]1 ZINC000265639258 386355609 /nfs/dbraw/zinc/35/56/09/386355609.db2.gz RLXXMZFTDHPMGQ-UHFFFAOYSA-N 0 1 249.236 2.214 20 0 BEADMN CC[C@H](OC)C(=O)Nc1cccc(Cl)c1O ZINC000265650300 386358449 /nfs/dbraw/zinc/35/84/49/386358449.db2.gz XFWJMEJRBMHSPY-VIFPVBQESA-N 0 1 243.690 2.409 20 0 BEADMN CCO[C@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339365523 386386776 /nfs/dbraw/zinc/38/67/76/386386776.db2.gz WJTVMFGRSJIZOW-RKDXNWHRSA-N 0 1 227.308 2.213 20 0 BEADMN COc1cc(CNCc2cncn2C)ccc1C ZINC000237129351 386358840 /nfs/dbraw/zinc/35/88/40/386358840.db2.gz DPAQKSXHDUZSAG-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CN(C)c1cccnc1CNCc1ccccc1 ZINC000289907683 386371806 /nfs/dbraw/zinc/37/18/06/386371806.db2.gz UOYFJDUKUOIDRP-UHFFFAOYSA-N 0 1 241.338 2.437 20 0 BEADMN CCC[C@H](C)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000347391838 386380189 /nfs/dbraw/zinc/38/01/89/386380189.db2.gz KDQSBFCNRHOGKA-VIFPVBQESA-N 0 1 222.336 2.303 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1nnc(C2CC2)[nH]1 ZINC000347393082 386380516 /nfs/dbraw/zinc/38/05/16/386380516.db2.gz MIIOMKZAASLVLZ-NSHDSACASA-N 0 1 234.347 2.303 20 0 BEADMN CN(Cc1n[nH]c(C2CC2)n1)CC(C)(C)C ZINC000347395173 386381440 /nfs/dbraw/zinc/38/14/40/386381440.db2.gz CPKWWABOPVNIOC-UHFFFAOYSA-N 0 1 222.336 2.160 20 0 BEADMN CC[C@@H](C)CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000276845773 386384599 /nfs/dbraw/zinc/38/45/99/386384599.db2.gz WZZKDGCYCHXMQC-KOLCDFICSA-N 0 1 235.331 2.340 20 0 BEADMN C[C@H](O)CCCN1CCn2cccc2[C@@H]1C ZINC000336678023 386329889 /nfs/dbraw/zinc/32/98/89/386329889.db2.gz WNRHHFTZZCPABP-RYUDHWBXSA-N 0 1 222.332 2.026 20 0 BEADMN CCc1cc(C(=O)N2CC(C)=C[C@H](C)C2)n[nH]1 ZINC000335274531 386330477 /nfs/dbraw/zinc/33/04/77/386330477.db2.gz RTAJJAUWFOOCBZ-VIFPVBQESA-N 0 1 233.315 2.010 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CCC=CO1 ZINC000276511507 386338185 /nfs/dbraw/zinc/33/81/85/386338185.db2.gz ZKNBQARYKWBNQN-ZDUSSCGKSA-N 0 1 218.300 2.206 20 0 BEADMN COCc1ccccc1NCc1[nH]ncc1C ZINC000289649478 386339396 /nfs/dbraw/zinc/33/93/96/386339396.db2.gz YGBVNVPNVHSHAS-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN c1nc2c(ncnc2NC2CCC3(CC3)CC2)[nH]1 ZINC000277454132 386436745 /nfs/dbraw/zinc/43/67/45/386436745.db2.gz OIMXWDNTSAHLHJ-UHFFFAOYSA-N 0 1 243.314 2.488 20 0 BEADMN Cc1cn[nH]c1CN1CCn2cccc2[C@H]1C ZINC000290438910 386436810 /nfs/dbraw/zinc/43/68/10/386436810.db2.gz NQOWGKQZUZVBCT-LLVKDONJSA-N 0 1 230.315 2.096 20 0 BEADMN CS[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000299325713 386438850 /nfs/dbraw/zinc/43/88/50/386438850.db2.gz WGZTUZDXWSHIHY-SSDOTTSWSA-N 0 1 235.312 2.253 20 0 BEADMN C[C@@H](NCc1ccccn1)c1cc[nH]c(=O)c1 ZINC000339458902 386439290 /nfs/dbraw/zinc/43/92/90/386439290.db2.gz CQMDDGGDRDVYPY-SNVBAGLBSA-N 0 1 229.283 2.033 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2C[C@@H](C)O)o1 ZINC000336717672 386440571 /nfs/dbraw/zinc/44/05/71/386440571.db2.gz USAKSXCGKMFTTE-ZYHUDNBSSA-N 0 1 238.331 2.108 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CC1CC1 ZINC000347490119 386441543 /nfs/dbraw/zinc/44/15/43/386441543.db2.gz GLMVKUQUILTEAF-UHFFFAOYSA-N 0 1 249.358 2.466 20 0 BEADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CCCO ZINC000347531832 386442374 /nfs/dbraw/zinc/44/23/74/386442374.db2.gz CJDSNUWJLAKJLN-CYBMUJFWSA-N 0 1 237.343 2.461 20 0 BEADMN c1cn(CC[N@H+]2CC[C@@H]2c2ccccc2)cn1 ZINC000336715933 386444928 /nfs/dbraw/zinc/44/49/28/386444928.db2.gz VFYXNGCAQQAXBV-CQSZACIVSA-N 0 1 227.311 2.330 20 0 BEADMN CC(C)c1ccc([C@H](C)[N@@H+](C)CC(N)=O)cc1 ZINC000299401368 386450523 /nfs/dbraw/zinc/45/05/23/386450523.db2.gz VZGBEMHQSCQQTM-NSHDSACASA-N 0 1 234.343 2.288 20 0 BEADMN CC(C)c1ccc([C@H](C)N(C)CC(N)=O)cc1 ZINC000299401368 386450531 /nfs/dbraw/zinc/45/05/31/386450531.db2.gz VZGBEMHQSCQQTM-NSHDSACASA-N 0 1 234.343 2.288 20 0 BEADMN CCOc1cccc(C[NH2+]Cc2n[nH]cc2C)c1 ZINC000290040633 386387838 /nfs/dbraw/zinc/38/78/38/386387838.db2.gz WKFVQEDNQUNAIQ-UHFFFAOYSA-N 0 1 245.326 2.407 20 0 BEADMN CCCNC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000347354713 386391293 /nfs/dbraw/zinc/39/12/93/386391293.db2.gz PQVCEYFRTBQISI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CN(Cc1ccccc1)C[C@@](C)(O)C(F)(F)F ZINC000281873374 386391339 /nfs/dbraw/zinc/39/13/39/386391339.db2.gz NOMDUWDEABBNBV-LLVKDONJSA-N 0 1 247.260 2.432 20 0 BEADMN CCCCC[N@@H+](CCO)Cc1cccc(C)n1 ZINC000347354172 386392262 /nfs/dbraw/zinc/39/22/62/386392262.db2.gz VDUBZLWZUGPSOY-UHFFFAOYSA-N 0 1 236.359 2.375 20 0 BEADMN CN(Cc1ccncc1)[C@H](CO)c1ccccc1 ZINC000266036106 386393978 /nfs/dbraw/zinc/39/39/78/386393978.db2.gz UFWQXNVYXHYVLM-OAHLLOKOSA-N 0 1 242.322 2.247 20 0 BEADMN Cc1c[nH]cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339366592 386395421 /nfs/dbraw/zinc/39/54/21/386395421.db2.gz ZHKFGHLCQSPCEI-JTQLQIEISA-N 0 1 234.303 2.419 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CCCCO2)n1 ZINC000339388932 386397693 /nfs/dbraw/zinc/39/76/93/386397693.db2.gz LOWIUDPMFNXPLK-VHSXEESVSA-N 0 1 239.319 2.357 20 0 BEADMN CCCCCC[C@H](C)C(=O)NCc1nnc[nH]1 ZINC000266083218 386398305 /nfs/dbraw/zinc/39/83/05/386398305.db2.gz HFBDQHUKQPZCTN-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CCC[C@H]1C[C@@H]1NCc1ncc(C)n1C ZINC000336732611 386401039 /nfs/dbraw/zinc/40/10/39/386401039.db2.gz LNMJKUQGUFJHRS-QWRGUYRKSA-N 0 1 207.321 2.007 20 0 BEADMN CC[C@H](OC)c1nc([C@H](N)CC(C)C)no1 ZINC000339396260 386402615 /nfs/dbraw/zinc/40/26/15/386402615.db2.gz NCEFCNNQXISPFF-BDAKNGLRSA-N 0 1 227.308 2.213 20 0 BEADMN COCC1=CCN(Cc2ccoc2C)CC1 ZINC000414426317 386403851 /nfs/dbraw/zinc/40/38/51/386403851.db2.gz CJLMTILHORBLPT-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2occc2C)o1 ZINC000266148575 386403931 /nfs/dbraw/zinc/40/39/31/386403931.db2.gz JQYOKHPMXCREDP-NSHDSACASA-N 0 1 235.283 2.313 20 0 BEADMN CC/C=C\CN[C@@H](CC)c1nccn1C ZINC000453319456 386404393 /nfs/dbraw/zinc/40/43/93/386404393.db2.gz MHJUREIHLOEPND-ZADCQDASSA-N 0 1 207.321 2.427 20 0 BEADMN CC[C@@H](C)c1nc([C@@H](C)NCc2cocn2)n[nH]1 ZINC000277114202 386409014 /nfs/dbraw/zinc/40/90/14/386409014.db2.gz XZUAFLLMEKOWJE-RKDXNWHRSA-N 0 1 249.318 2.157 20 0 BEADMN CC(C)C[C@@H](N)c1noc(Cc2ccco2)n1 ZINC000414618336 386410923 /nfs/dbraw/zinc/41/09/23/386410923.db2.gz MIOOAAGGUXIGFZ-SNVBAGLBSA-N 0 1 235.287 2.299 20 0 BEADMN Cc1cn[nH]c1CN1CCc2sccc2C1 ZINC000290314846 386418056 /nfs/dbraw/zinc/41/80/56/386418056.db2.gz AXJRNQGMZTZQHV-UHFFFAOYSA-N 0 1 233.340 2.338 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccc(F)cc2C)nn1 ZINC000311213598 386421431 /nfs/dbraw/zinc/42/14/31/386421431.db2.gz LWPQBEWDKMARDQ-JTQLQIEISA-N 0 1 248.305 2.054 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000347523863 386430322 /nfs/dbraw/zinc/43/03/22/386430322.db2.gz CHGYUUJQZIRBIP-KOLCDFICSA-N 0 1 234.347 2.445 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nnc(C2CC2)[nH]1 ZINC000347523863 386430326 /nfs/dbraw/zinc/43/03/26/386430326.db2.gz CHGYUUJQZIRBIP-KOLCDFICSA-N 0 1 234.347 2.445 20 0 BEADMN Cc1c[nH]nc1CN(C)CCc1cccs1 ZINC000290416646 386433235 /nfs/dbraw/zinc/43/32/35/386433235.db2.gz LUMLVXYEJZWPLB-UHFFFAOYSA-N 0 1 235.356 2.454 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCO2)c(C)s1 ZINC000336777737 386434765 /nfs/dbraw/zinc/43/47/65/386434765.db2.gz JJRCKESFRDZWMB-PELKAZGASA-N 0 1 240.372 2.417 20 0 BEADMN C[C@@H](C(=O)N(C)c1ccccc1)N1C[C@@H](C)[C@@H]1C ZINC000339572634 386471092 /nfs/dbraw/zinc/47/10/92/386471092.db2.gz BBXCQCBMFBRBCX-AGIUHOORSA-N 0 1 246.354 2.378 20 0 BEADMN Cc1cn[nH]c1CN1CCc2c1cccc2F ZINC000290784681 386476303 /nfs/dbraw/zinc/47/63/03/386476303.db2.gz CNWBKZITVPHONX-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CC(C)N(Cc1nccc(N)n1)CC1CCC1 ZINC000277888994 386477059 /nfs/dbraw/zinc/47/70/59/386477059.db2.gz VYPZFAGAHRQSER-UHFFFAOYSA-N 0 1 234.347 2.069 20 0 BEADMN Cc1cc(CN[C@@H]2CCC[C@H](F)C2)no1 ZINC000335426096 386479972 /nfs/dbraw/zinc/47/99/72/386479972.db2.gz YLUJNYWYTOXISN-VHSXEESVSA-N 0 1 212.268 2.353 20 0 BEADMN CN(C)c1ncc(CN[C@H]2CCC[C@@H]2F)s1 ZINC000339588504 386480630 /nfs/dbraw/zinc/48/06/30/386480630.db2.gz ZTJHTPIURJPDNP-UWVGGRQHSA-N 0 1 243.351 2.189 20 0 BEADMN CC[C@@H](C)C[C@@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000290864343 386483927 /nfs/dbraw/zinc/48/39/27/386483927.db2.gz YZBHCNLEINITHS-HTQZYQBOSA-N 0 1 249.318 2.295 20 0 BEADMN Cn1cc(CN[C@@H]2CCC[C@@H]2F)c(C(F)F)n1 ZINC000339581801 386485462 /nfs/dbraw/zinc/48/54/62/386485462.db2.gz CDCAWIUYHBPXAF-DTWKUNHWSA-N 0 1 247.264 2.338 20 0 BEADMN CCc1ncc(CN(C)[C@@H]2CC2(C)C)cn1 ZINC000414445049 386490952 /nfs/dbraw/zinc/49/09/52/386490952.db2.gz MKDUYOKCIXTWAH-LLVKDONJSA-N 0 1 219.332 2.269 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000339628378 386495325 /nfs/dbraw/zinc/49/53/25/386495325.db2.gz OPQNDYYGXMKGFJ-QWHCGFSZSA-N 0 1 238.375 2.332 20 0 BEADMN CCC1(C)CN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000291002018 386495783 /nfs/dbraw/zinc/49/57/83/386495783.db2.gz BSAVFCWEWQBRKE-JTQLQIEISA-N 0 1 247.342 2.088 20 0 BEADMN Cc1cnc([C@@H](C)N2C[C@@H](C)N(C)[C@@H](C)C2)o1 ZINC000339629857 386500518 /nfs/dbraw/zinc/50/05/18/386500518.db2.gz USATVSIYJYWNKK-JFGNBEQYSA-N 0 1 237.347 2.068 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)o1 ZINC000335443302 386503331 /nfs/dbraw/zinc/50/33/31/386503331.db2.gz NDEXVQFESADMFH-JOYOIKCWSA-N 0 1 237.299 2.131 20 0 BEADMN CCC1(C)CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000291036780 386505561 /nfs/dbraw/zinc/50/55/61/386505561.db2.gz HQNJVEKTXSPFIM-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN Cc1ccoc1C[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000335444060 386506688 /nfs/dbraw/zinc/50/66/88/386506688.db2.gz RBXICOZIKSMCGG-MWLCHTKSSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@H]1C(=O)[O-] ZINC000335444751 386509951 /nfs/dbraw/zinc/50/99/51/386509951.db2.gz URCHOPBOJPEEQF-MWLCHTKSSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1C(=O)[O-] ZINC000335445429 386510155 /nfs/dbraw/zinc/51/01/55/386510155.db2.gz WOLGZXDPHWPDKQ-KOLCDFICSA-N 0 1 239.340 2.291 20 0 BEADMN Cc1nccc(NC[C@@H](C)C[C@H](C)O)c1Cl ZINC000336779674 386515607 /nfs/dbraw/zinc/51/56/07/386515607.db2.gz PDHBYERZZPSZAF-IUCAKERBSA-N 0 1 242.750 2.284 20 0 BEADMN Cc1cnc(CN2CC[C@H](CC3CC3)C2)nc1 ZINC000339674016 386516175 /nfs/dbraw/zinc/51/61/75/386516175.db2.gz JDIAPHPPFBXHDD-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN Cc1noc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339677553 386516589 /nfs/dbraw/zinc/51/65/89/386516589.db2.gz JKIDTWPIQZHJKP-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN CN1CCC[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC000645315953 386517785 /nfs/dbraw/zinc/51/77/85/386517785.db2.gz UETWNBSYBANJJB-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H](CC3CC3)C2)nn1 ZINC000339681446 386518947 /nfs/dbraw/zinc/51/89/47/386518947.db2.gz HQPQDQLZMPILMS-ZDUSSCGKSA-N 0 1 248.374 2.481 20 0 BEADMN CCCN(C)[C@H](c1nccn1C)C1CC1 ZINC000637892330 386520981 /nfs/dbraw/zinc/52/09/81/386520981.db2.gz POHKGIGEKDYFFV-NSHDSACASA-N 0 1 207.321 2.213 20 0 BEADMN FC1(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000351414746 386526323 /nfs/dbraw/zinc/52/63/23/386526323.db2.gz NWQPPTUDJQNKSI-UHFFFAOYSA-N 0 1 244.229 2.343 20 0 BEADMN CCN(Cc1cncnc1OC)C1CC(C)(C)C1 ZINC000648043755 386526595 /nfs/dbraw/zinc/52/65/95/386526595.db2.gz FXMMOQSUQBIJCW-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN O=C(c1cnc[nH]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000263691892 386461510 /nfs/dbraw/zinc/46/15/10/386461510.db2.gz QBHTWCBEUAYPHR-ZYANWLCNSA-N 0 1 245.326 2.060 20 0 BEADMN Cc1ccoc1CNC1CC(F)(F)C1 ZINC000277707084 386461717 /nfs/dbraw/zinc/46/17/17/386461717.db2.gz RVCAJUJXVFNQJT-UHFFFAOYSA-N 0 1 201.216 2.475 20 0 BEADMN CCc1ccc(CN2CCC[C@H](OC)C2)cn1 ZINC000347657913 386463059 /nfs/dbraw/zinc/46/30/59/386463059.db2.gz VFOHWZNRTCAFQW-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CC(C)C1(NCc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000339519382 386464479 /nfs/dbraw/zinc/46/44/79/386464479.db2.gz SJQXXLFHVIZRHZ-UHFFFAOYSA-N 0 1 236.363 2.380 20 0 BEADMN CC(C)c1nc(CSc2nncs2)n[nH]1 ZINC000291712465 386574795 /nfs/dbraw/zinc/57/47/95/386574795.db2.gz PZYXWDLHENWQPO-UHFFFAOYSA-N 0 1 241.345 2.072 20 0 BEADMN CCc1cccc(OCC[N@H+]2CC[C@H](OC)C2)c1 ZINC000267728633 386577990 /nfs/dbraw/zinc/57/79/90/386577990.db2.gz ZVNVKTGDMTWPOG-HNNXBMFYSA-N 0 1 249.354 2.349 20 0 BEADMN CC[C@]1(O)CCN(Cc2cc(F)ccc2F)C1 ZINC000335415440 386581653 /nfs/dbraw/zinc/58/16/53/386581653.db2.gz PHDMDOXLZOSIGJ-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CC(C)=CCN[C@@H](C)c1nccnc1C ZINC000188454724 386583290 /nfs/dbraw/zinc/58/32/90/386583290.db2.gz YPOZIWQMVFGVQE-JTQLQIEISA-N 0 1 205.305 2.402 20 0 BEADMN Cc1csc(CN2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000335417255 386584784 /nfs/dbraw/zinc/58/47/84/386584784.db2.gz MBVBUHMFTPOXHS-MNOVXSKESA-N 0 1 238.356 2.062 20 0 BEADMN C[C@H](NCC(F)(F)CN)C1CCCCC1 ZINC000414922201 386585346 /nfs/dbraw/zinc/58/53/46/386585346.db2.gz CHKZVSOERLMECJ-VIFPVBQESA-N 0 1 220.307 2.139 20 0 BEADMN Cc1cnccc1CCN1CCO[C@@H]2CCC[C@H]21 ZINC000335418016 386588372 /nfs/dbraw/zinc/58/83/72/386588372.db2.gz NBPDNVYKBZGBAM-HUUCEWRRSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1nc(C[S@](=O)[C@H](C)c2ccccc2)n[nH]1 ZINC000291860971 386592992 /nfs/dbraw/zinc/59/29/92/386592992.db2.gz GOHZFGGTSUTVAT-XLFHBGCDSA-N 0 1 249.339 2.123 20 0 BEADMN Cc1nccc(N[C@@H](CO)CC(C)C)c1Cl ZINC000336644565 386595011 /nfs/dbraw/zinc/59/50/11/386595011.db2.gz CHGDJCOEPUWCQI-SNVBAGLBSA-N 0 1 242.750 2.284 20 0 BEADMN CCSCCN[C@@H](C)c1nnc(C)s1 ZINC000336644826 386596445 /nfs/dbraw/zinc/59/64/45/386596445.db2.gz ASWAPJCBRKTEQX-ZETCQYMHSA-N 0 1 231.390 2.250 20 0 BEADMN CC(C)[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000335454568 386532108 /nfs/dbraw/zinc/53/21/08/386532108.db2.gz SXXYXSVNSPLUQX-VXGBXAGGSA-N 0 1 236.363 2.244 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)C[C@@H]2C)cn1 ZINC000414451708 386535192 /nfs/dbraw/zinc/53/51/92/386535192.db2.gz ODKCLKMDJVVTLW-WCQYABFASA-N 0 1 249.358 2.038 20 0 BEADMN CC(C)N(Cc1cncs1)[C@@H]1CCOC1 ZINC000291361032 386536141 /nfs/dbraw/zinc/53/61/41/386536141.db2.gz YGGPDCHKVKTWMZ-SNVBAGLBSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)CC(C)(C)C)cc1 ZINC000228082938 386537211 /nfs/dbraw/zinc/53/72/11/386537211.db2.gz OMRJTEKFNJPMQM-CYBMUJFWSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)C2CCCC2)cc1 ZINC000228078587 386538570 /nfs/dbraw/zinc/53/85/70/386538570.db2.gz XOARXXWWBVUZTN-AWEZNQCLSA-N 0 1 246.354 2.396 20 0 BEADMN C[C@H]1CN(CCc2ccncc2)CC2(CCC2)O1 ZINC000335460642 386540220 /nfs/dbraw/zinc/54/02/20/386540220.db2.gz ALEJAZUWNDCTQM-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228089856 386541190 /nfs/dbraw/zinc/54/11/90/386541190.db2.gz KXYXXOPBYGTZPZ-RDBSUJKOSA-N 0 1 246.354 2.300 20 0 BEADMN CC(C)n1ccnc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000335423167 386596945 /nfs/dbraw/zinc/59/69/45/386596945.db2.gz MCJKMKLGAQJYSG-OLZOCXBDSA-N 0 1 249.358 2.075 20 0 BEADMN Cc1nc(F)ccc1CN[C@H](C)c1cn[nH]c1 ZINC000278555002 386545247 /nfs/dbraw/zinc/54/52/47/386545247.db2.gz VPBCPVXNCRUXQC-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN Cc1nc(CN(C)[C@H]2CCc3ccccc32)n[nH]1 ZINC000278549425 386545345 /nfs/dbraw/zinc/54/53/45/386545345.db2.gz SZYWZYRXQHVAQQ-ZDUSSCGKSA-N 0 1 242.326 2.232 20 0 BEADMN CCc1ncc(CN2CC[C@H]2CC)cn1 ZINC000414453034 386545565 /nfs/dbraw/zinc/54/55/65/386545565.db2.gz OHIAKVAQGGIDAT-LLVKDONJSA-N 0 1 205.305 2.023 20 0 BEADMN CC1(C(=O)Nc2ccc3[nH]nnc3c2)CCCC1 ZINC000267454280 386546097 /nfs/dbraw/zinc/54/60/97/386546097.db2.gz GFZJXVQWWQGUEZ-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CC[N@H+](CC(=O)[O-])CC1CCC(F)(F)CC1 ZINC000519758855 386547166 /nfs/dbraw/zinc/54/71/66/386547166.db2.gz JUZGIAWGBZSHNA-UHFFFAOYSA-N 0 1 235.274 2.218 20 0 BEADMN C[C@H]1CN(CCc2cccnc2)CC2(CCC2)O1 ZINC000335463657 386548095 /nfs/dbraw/zinc/54/80/95/386548095.db2.gz MFSBHIWONMLSED-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC2(CCC2)O1 ZINC000335465995 386553594 /nfs/dbraw/zinc/55/35/94/386553594.db2.gz ZHPPBOFYCQFHKB-OLZOCXBDSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C(C)C)c1 ZINC000267552989 386554013 /nfs/dbraw/zinc/55/40/13/386554013.db2.gz COAZURZDULBLLA-UHFFFAOYSA-N 0 1 231.299 2.352 20 0 BEADMN C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC2(CCC2)O1 ZINC000335465994 386554219 /nfs/dbraw/zinc/55/42/19/386554219.db2.gz ZHPPBOFYCQFHKB-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN CCCc1nc(CN[C@@H](C)[C@H](C)CO)cs1 ZINC000336780574 386556306 /nfs/dbraw/zinc/55/63/06/386556306.db2.gz RREFNMUSWHQUAY-ZJUUUORDSA-N 0 1 242.388 2.202 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@@H](C)[C@@H]1C ZINC000267631645 386567085 /nfs/dbraw/zinc/56/70/85/386567085.db2.gz GZVQHPNPKNXVSB-ZJUUUORDSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1nc(CN(C)[C@H](C)c2ccccc2)n[nH]1 ZINC000267669028 386571908 /nfs/dbraw/zinc/57/19/08/386571908.db2.gz VBCFPKYUEDXOEZ-SNVBAGLBSA-N 0 1 230.315 2.306 20 0 BEADMN Cc1nc(CN(C)[C@H](C)c2ccccc2F)n[nH]1 ZINC000267667286 386573214 /nfs/dbraw/zinc/57/32/14/386573214.db2.gz UUCVVIAZQYAOEP-SECBINFHSA-N 0 1 248.305 2.445 20 0 BEADMN C1=C[C@H](N2CCO[C@]3(CCSC3)C2)CCC1 ZINC000335411010 386573491 /nfs/dbraw/zinc/57/34/91/386573491.db2.gz VXHDUEDPKKEAIR-QWHCGFSZSA-N 0 1 239.384 2.303 20 0 BEADMN C/C=C\C[C@H](CO)N[C@@H](C)c1csc(C)n1 ZINC000336782019 386621909 /nfs/dbraw/zinc/62/19/09/386621909.db2.gz WLTHBVCDRCTJED-ZDTBXWBLSA-N 0 1 240.372 2.429 20 0 BEADMN COC1(CNCc2cc(C)on2)CCCC1 ZINC000336758155 386626667 /nfs/dbraw/zinc/62/66/67/386626667.db2.gz IDHJNHMNLCGUHP-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN C[C@@H](CF)NCc1ccc2c[nH]nc2c1 ZINC000336758092 386627141 /nfs/dbraw/zinc/62/71/41/386627141.db2.gz KLVLSFKFVWVPEX-QMMMGPOBSA-N 0 1 207.252 2.011 20 0 BEADMN CC[C@H](N[C@H]1CN(CC)C[C@H]1C)C(F)(F)F ZINC000336782184 386630472 /nfs/dbraw/zinc/63/04/72/386630472.db2.gz WWYBJRJFSSVZTJ-UTLUCORTSA-N 0 1 238.297 2.257 20 0 BEADMN CCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C ZINC000337172531 386631772 /nfs/dbraw/zinc/63/17/72/386631772.db2.gz FLPKXTFXCSHTQY-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1nc(C[S@](=O)c2cc(C)ccc2C)n[nH]1 ZINC000292184365 386632017 /nfs/dbraw/zinc/63/20/17/386632017.db2.gz YMBHAVQESQGHJB-KRWDZBQOSA-N 0 1 249.339 2.038 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@H](C2CCCC2)C1 ZINC000335502834 386632221 /nfs/dbraw/zinc/63/22/21/386632221.db2.gz KJQIYBPCGLRJMR-YPMHNXCESA-N 0 1 248.374 2.388 20 0 BEADMN CCN(CC)C(=O)CCCNc1cc(C)ccn1 ZINC000268325170 386643570 /nfs/dbraw/zinc/64/35/70/386643570.db2.gz OCMXLXLUKSPGFY-UHFFFAOYSA-N 0 1 249.358 2.451 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC2CCCCC2)C1 ZINC000062936346 386646851 /nfs/dbraw/zinc/64/68/51/386646851.db2.gz IFICDXMNCKKYGH-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nc(CN2c3ccccc3C[C@@H]2C)n[nH]1 ZINC000292294379 386647222 /nfs/dbraw/zinc/64/72/22/386647222.db2.gz ZDIMLJWPGGDBGR-VIFPVBQESA-N 0 1 228.299 2.064 20 0 BEADMN CC(C)C[C@H](C)CN1CC[S@](=O)[C@H](C)C1 ZINC000337199825 386649473 /nfs/dbraw/zinc/64/94/73/386649473.db2.gz ZEOSOUUVVWXZBK-ZOWXZIJZSA-N 0 1 231.405 2.121 20 0 BEADMN CCCC1(CNC(=O)c2[nH]nc(C)c2C)CC1 ZINC000268419023 386652761 /nfs/dbraw/zinc/65/27/61/386652761.db2.gz WRZPCEPIWBMWIX-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@@H](C)C2)nc1 ZINC000335487044 386603214 /nfs/dbraw/zinc/60/32/14/386603214.db2.gz YLMUXTVTBYWEJG-RYUDHWBXSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](F)C2)c1C ZINC000335518751 386655024 /nfs/dbraw/zinc/65/50/24/386655024.db2.gz FWHWVFAZTVNQQM-ZJUUUORDSA-N 0 1 239.294 2.037 20 0 BEADMN CCC[C@H](C)CN[C@@H](C)c1nc(C)no1 ZINC000336757824 386609410 /nfs/dbraw/zinc/60/94/10/386609410.db2.gz JNCCATOTFPRVNI-IUCAKERBSA-N 0 1 211.309 2.465 20 0 BEADMN CC[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000268058391 386612908 /nfs/dbraw/zinc/61/29/08/386612908.db2.gz ZFCQIADMXLICOO-SECBINFHSA-N 0 1 240.372 2.338 20 0 BEADMN CCN(CC(=O)NCCC1CCCC1)C1CC1 ZINC000179154534 386612857 /nfs/dbraw/zinc/61/28/57/386612857.db2.gz FQVCFLGSCJUGOD-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN NCC(F)(F)CN[C@H]1CCCC[C@H]1C1CC1 ZINC000414923995 386613645 /nfs/dbraw/zinc/61/36/45/386613645.db2.gz FYPLNXIEQBIOIR-QWRGUYRKSA-N 0 1 232.318 2.139 20 0 BEADMN c1ccc(Cc2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1 ZINC000644923863 386616500 /nfs/dbraw/zinc/61/65/00/386616500.db2.gz MKVSKBWSXBCMOK-UTUOFQBUSA-N 0 1 241.294 2.083 20 0 BEADMN CCn1ccc(CNC/C=C\c2ccncc2)n1 ZINC000414476838 386660494 /nfs/dbraw/zinc/66/04/94/386660494.db2.gz BMEGLKNTJFYDAY-ARJAWSKDSA-N 0 1 242.326 2.101 20 0 BEADMN CC(C)(C)c1nnc(CN2CCC3(CC3)CC2)[nH]1 ZINC000644999042 386661053 /nfs/dbraw/zinc/66/10/53/386661053.db2.gz DDIBFKQMXIKEJH-UHFFFAOYSA-N 0 1 248.374 2.478 20 0 BEADMN CC[C@@H](C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425329976 386661536 /nfs/dbraw/zinc/66/15/36/386661536.db2.gz RJVOLMAOKJNCSA-MRVPVSSYSA-N 0 1 249.289 2.478 20 0 BEADMN CC[C@H]1CCN1Cc1ccc(C(=O)OC)o1 ZINC000292411450 386665711 /nfs/dbraw/zinc/66/57/11/386665711.db2.gz MDFYMVGSXYKXTM-VIFPVBQESA-N 0 1 223.272 2.051 20 0 BEADMN Cc1cn[nH]c1CN1CC(C)(CC(F)F)C1 ZINC000648058989 386675418 /nfs/dbraw/zinc/67/54/18/386675418.db2.gz OILBWAOVKVIGOO-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1ccncn1 ZINC000396118862 386676796 /nfs/dbraw/zinc/67/67/96/386676796.db2.gz YGFRHEYAVREXEE-LLVKDONJSA-N 0 1 235.331 2.086 20 0 BEADMN CC(C)n1nccc1CN(C)CCCCCO ZINC000337247108 386676900 /nfs/dbraw/zinc/67/69/00/386676900.db2.gz OWZLUHZYTKNBES-UHFFFAOYSA-N 0 1 239.363 2.058 20 0 BEADMN CC[C@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000292498578 386679453 /nfs/dbraw/zinc/67/94/53/386679453.db2.gz SHKLETYKEJUJRO-STQMWFEESA-N 0 1 234.343 2.235 20 0 BEADMN CC[C@H]1C[C@H](CN(C)Cc2cc[nH]n2)CCO1 ZINC000357001696 386685911 /nfs/dbraw/zinc/68/59/11/386685911.db2.gz XXQUDXUYNHPMKF-YPMHNXCESA-N 0 1 237.347 2.047 20 0 BEADMN CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268724644 386686017 /nfs/dbraw/zinc/68/60/17/386686017.db2.gz JBZOCAISLBFKPS-UHFFFAOYSA-N 0 1 235.209 2.413 20 0 BEADMN C[C@@H](C1CCC1)N(C)Cc1nccn1C ZINC000357028985 386688716 /nfs/dbraw/zinc/68/87/16/386688716.db2.gz UYJIZSPGXLVJEO-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H](NCC1CCC(C)CC1)c1ncn(C)n1 ZINC000391911983 386694393 /nfs/dbraw/zinc/69/43/93/386694393.db2.gz AWCCUDJTFFNKMM-MOENNCHZSA-N 0 1 236.363 2.292 20 0 BEADMN Cc1cc(CNC(=O)CC(C)(C)C2CC2)n[nH]1 ZINC000645438954 386694583 /nfs/dbraw/zinc/69/45/83/386694583.db2.gz OTNFDCPPANHHBO-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H](NCC1CCCCCC1)c1ncn(C)n1 ZINC000391932530 386694762 /nfs/dbraw/zinc/69/47/62/386694762.db2.gz MPRXLZBMIBGIJX-LLVKDONJSA-N 0 1 236.363 2.436 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1cc(C)nn1C ZINC000417769783 386695738 /nfs/dbraw/zinc/69/57/38/386695738.db2.gz BEZOEGZPKCUTKL-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN Cc1cc(CNC(=O)CC2CC(C)(C)C2)n[nH]1 ZINC000645438951 386696222 /nfs/dbraw/zinc/69/62/22/386696222.db2.gz OGZUECMIZHHYIE-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@H](NCC1CCC(C)CC1)c1ncn(C)n1 ZINC000391911980 386696806 /nfs/dbraw/zinc/69/68/06/386696806.db2.gz AWCCUDJTFFNKMM-CXQJBGSLSA-N 0 1 236.363 2.292 20 0 BEADMN c1ncn2ccc(-c3noc(CC4CC4)n3)cc12 ZINC000279536844 386698847 /nfs/dbraw/zinc/69/88/47/386698847.db2.gz LMMZRVGBQQZWNL-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1nc(CN(C)c2ccc(C)cc2)n[nH]1 ZINC000292632680 386699308 /nfs/dbraw/zinc/69/93/08/386699308.db2.gz YXKRKFUTHYZTTO-UHFFFAOYSA-N 0 1 216.288 2.058 20 0 BEADMN Cc1ncc(C(=O)N(C2CCC2)C2CCC2)[nH]1 ZINC000292676945 386706123 /nfs/dbraw/zinc/70/61/23/386706123.db2.gz ZZSKQXNQAPSZJF-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268970427 386732152 /nfs/dbraw/zinc/73/21/52/386732152.db2.gz DNVVADSVRDBOHB-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN O=C(CC1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268994741 386736147 /nfs/dbraw/zinc/73/61/47/386736147.db2.gz PMUPBDGUXAEGNZ-LBPRGKRZSA-N 0 1 247.342 2.484 20 0 BEADMN CC(C)(C)OC(=O)[C@H]1CCN(CC2(F)CC2)C1 ZINC000526971029 386715520 /nfs/dbraw/zinc/71/55/20/386715520.db2.gz MVYKFMDFBLUXEC-JTQLQIEISA-N 0 1 243.322 2.152 20 0 BEADMN CC(C)[C@H]1N(Cc2cncnc2)CC12CCC2 ZINC000292736208 386716766 /nfs/dbraw/zinc/71/67/66/386716766.db2.gz GVUHNCYFRLYNRS-CYBMUJFWSA-N 0 1 231.343 2.487 20 0 BEADMN Cn1ccc(CN2CCSC(C)(C)CC2)n1 ZINC000279675745 386717326 /nfs/dbraw/zinc/71/73/26/386717326.db2.gz FYNOMGSSOCQRLI-UHFFFAOYSA-N 0 1 239.388 2.138 20 0 BEADMN CC(C)[C@H](C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268928802 386719552 /nfs/dbraw/zinc/71/95/52/386719552.db2.gz DYTCSSBYTLDEPS-ONGXEEELSA-N 0 1 235.331 2.195 20 0 BEADMN C[C@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000645094130 386719817 /nfs/dbraw/zinc/71/98/17/386719817.db2.gz GWRFCAJWAAETTB-JTQLQIEISA-N 0 1 246.358 2.004 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000279713377 386724477 /nfs/dbraw/zinc/72/44/77/386724477.db2.gz APRXSFRXPWWCIZ-JOYOIKCWSA-N 0 1 238.335 2.198 20 0 BEADMN CC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000268944324 386724856 /nfs/dbraw/zinc/72/48/56/386724856.db2.gz HGNRYRCZSSYSTA-NSHDSACASA-N 0 1 247.342 2.484 20 0 BEADMN CCCCN(CC)Cc1cncnc1OC ZINC000647998849 386726334 /nfs/dbraw/zinc/72/63/34/386726334.db2.gz MFQQDLVHIQQRPS-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC(C)(C)CC ZINC000192225000 386746558 /nfs/dbraw/zinc/74/65/58/386746558.db2.gz FMIRNCAWYQGAJR-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000330495538 386747016 /nfs/dbraw/zinc/74/70/16/386747016.db2.gz WHMDBFVFVDJPFW-SNVBAGLBSA-N 0 1 239.319 2.145 20 0 BEADMN CC(C)[C@H]1CCC[C@@H]1NCC(F)(F)CO ZINC000336760964 386748415 /nfs/dbraw/zinc/74/84/15/386748415.db2.gz MQOMLWVQMBSTKI-ZJUUUORDSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1cn[nH]c1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000334155946 386754307 /nfs/dbraw/zinc/75/43/07/386754307.db2.gz WZQYYVHFVHHKNJ-KOLCDFICSA-N 0 1 207.321 2.339 20 0 BEADMN Fc1cc(F)cc(CCNCc2cocn2)c1 ZINC000192301409 386755140 /nfs/dbraw/zinc/75/51/40/386755140.db2.gz CQUHJGPVJFMXRI-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN Cc1cn[nH]c1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000334155948 386755679 /nfs/dbraw/zinc/75/56/79/386755679.db2.gz WZQYYVHFVHHKNJ-ONGXEEELSA-N 0 1 207.321 2.339 20 0 BEADMN c1nc(CNCCCOC2CCCC2)co1 ZINC000192300894 386756017 /nfs/dbraw/zinc/75/60/17/386756017.db2.gz UCXQFKPHFNHFLQ-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@H](Cc1ccc(O)cc1)NCc1cocn1 ZINC000192307928 386756902 /nfs/dbraw/zinc/75/69/02/386756902.db2.gz YWXPJNNFQIWIES-JTQLQIEISA-N 0 1 232.283 2.101 20 0 BEADMN CCCCOCCN1CCOC(C)(C)[C@H]1C ZINC000357316581 386760209 /nfs/dbraw/zinc/76/02/09/386760209.db2.gz ODAVYZVDEBFARL-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)nn1 ZINC000335648492 386762914 /nfs/dbraw/zinc/76/29/14/386762914.db2.gz WWVAIFIMVOTFRR-ZDUSSCGKSA-N 0 1 231.343 2.405 20 0 BEADMN FCCCCN1CCC[C@H]1c1ncc[nH]1 ZINC000367137465 386764043 /nfs/dbraw/zinc/76/40/43/386764043.db2.gz IWQZQVGWYCZVDI-JTQLQIEISA-N 0 1 211.284 2.296 20 0 BEADMN CCC(CC)[C@H](C)C(=O)Nc1nnc(C)[nH]1 ZINC000330553352 386765451 /nfs/dbraw/zinc/76/54/51/386765451.db2.gz YKVVIGNBNJTYQP-ZETCQYMHSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nc(CCNCc2cocn2)sc1C ZINC000192326455 386765626 /nfs/dbraw/zinc/76/56/26/386765626.db2.gz UTRFZHDTZNPECZ-UHFFFAOYSA-N 0 1 237.328 2.080 20 0 BEADMN C[C@@H](CNCc1cocn1)c1nccs1 ZINC000192343438 386768391 /nfs/dbraw/zinc/76/83/91/386768391.db2.gz ANFUTAAZKLXNGT-QMMMGPOBSA-N 0 1 223.301 2.024 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2COC(C)(C)C2)c2nccn21 ZINC000396525680 386768416 /nfs/dbraw/zinc/76/84/16/386768416.db2.gz XBPJSXZGSWCLRF-VWYCJHECSA-N 0 1 235.331 2.046 20 0 BEADMN CC[C@@H](NC1(C(F)F)CC1)[C@H]1CCOC1 ZINC000336760602 386741576 /nfs/dbraw/zinc/74/15/76/386741576.db2.gz LWTWKZLWUPXVBI-DTWKUNHWSA-N 0 1 219.275 2.189 20 0 BEADMN CC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000269048998 386741713 /nfs/dbraw/zinc/74/17/13/386741713.db2.gz ZSJOYZYNGYOGGN-JTQLQIEISA-N 0 1 233.315 2.094 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)cs2)[C@@H](C)C1 ZINC000334144529 386742164 /nfs/dbraw/zinc/74/21/64/386742164.db2.gz HOIYHSLPHLHELK-WDEREUQCSA-N 0 1 240.372 2.451 20 0 BEADMN CCCc1noc(CN(C)[C@@H](C)C(C)C)n1 ZINC000357487107 386791112 /nfs/dbraw/zinc/79/11/12/386791112.db2.gz ROUZBGCIMGZHQI-JTQLQIEISA-N 0 1 225.336 2.498 20 0 BEADMN CCC[C@H](C)N1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352869828 386794856 /nfs/dbraw/zinc/79/48/56/386794856.db2.gz PSUWWUSEAMELPG-ASHKBJFXSA-N 0 1 231.405 2.406 20 0 BEADMN CCCC[N@@H+](CCCO)Cc1cccnc1 ZINC000269334019 386780008 /nfs/dbraw/zinc/78/00/08/386780008.db2.gz ZDGLQDOQGZLIDN-UHFFFAOYSA-N 0 1 222.332 2.066 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2NCc1cncs1 ZINC000280130254 386780723 /nfs/dbraw/zinc/78/07/23/386780723.db2.gz OXKVZWNDHOVKRE-NSHDSACASA-N 0 1 248.355 2.044 20 0 BEADMN Cc1cc(C)cc(CN(C)Cc2c[nH]nn2)c1 ZINC000450865494 386787165 /nfs/dbraw/zinc/78/71/65/386787165.db2.gz WPIZFYCVNDMNIA-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCC(C)(C)C ZINC000113256917 386798574 /nfs/dbraw/zinc/79/85/74/386798574.db2.gz XBACTTRBGPAFIO-GHMZBOCLSA-N 0 1 249.420 2.176 20 0 BEADMN CC[C@H](N[C@H]1CSC1(C)C)c1ccn(C)n1 ZINC000336744166 386801064 /nfs/dbraw/zinc/80/10/64/386801064.db2.gz UQHFHIYGHNNSSK-ONGXEEELSA-N 0 1 239.388 2.355 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@H]2CCO)o1 ZINC000330588634 386801561 /nfs/dbraw/zinc/80/15/61/386801561.db2.gz WCVXNENIXCEMIM-SRVKXCTJSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H]2CCO)o1 ZINC000330588633 386802841 /nfs/dbraw/zinc/80/28/41/386802841.db2.gz WCVXNENIXCEMIM-SDDRHHMPSA-N 0 1 238.331 2.185 20 0 BEADMN CC(C)CCNC(=O)c1cc2[nH]cnc2cc1F ZINC000340946305 386804547 /nfs/dbraw/zinc/80/45/47/386804547.db2.gz FNKLJUNMOXWCRJ-UHFFFAOYSA-N 0 1 249.289 2.478 20 0 BEADMN c1cc2c(s1)CN(Cc1cnc[nH]1)CC2 ZINC000280320953 386804617 /nfs/dbraw/zinc/80/46/17/386804617.db2.gz YFESWUMUUNCQJD-UHFFFAOYSA-N 0 1 219.313 2.030 20 0 BEADMN CCSCCN(C)Cc1conc1CC ZINC000293348330 386807683 /nfs/dbraw/zinc/80/76/83/386807683.db2.gz HPCXESGBMKZZJJ-UHFFFAOYSA-N 0 1 228.361 2.422 20 0 BEADMN CCCCOCCN1CCOC[C@]1(C)CC ZINC000340912208 386809400 /nfs/dbraw/zinc/80/94/00/386809400.db2.gz TTWOPDROKJUQIU-ZDUSSCGKSA-N 0 1 229.364 2.304 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn[n-]1 ZINC000398367670 386815597 /nfs/dbraw/zinc/81/55/97/386815597.db2.gz BVBKXFBKLQYUPJ-NEPJUHHUSA-N 0 1 222.336 2.109 20 0 BEADMN CN(C/C=C/Cl)C[C@H](O)Cc1ccccc1 ZINC000293498013 386826163 /nfs/dbraw/zinc/82/61/63/386826163.db2.gz ZNRYYBIXYLBITN-OQHXTRMZSA-N 0 1 239.746 2.274 20 0 BEADMN NC1(c2noc([C@H]3CC34CC4)n2)CCCC1 ZINC000334585778 386826849 /nfs/dbraw/zinc/82/68/49/386826849.db2.gz CKRFJUMFCBROJT-MRVPVSSYSA-N 0 1 219.288 2.065 20 0 BEADMN CCOc1cccc(CN2CC[C@@H]2COC)c1 ZINC000293518932 386829559 /nfs/dbraw/zinc/82/95/59/386829559.db2.gz AXEKBLVGQLDVBA-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN CC[C@@H](C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341057235 386830456 /nfs/dbraw/zinc/83/04/56/386830456.db2.gz JSXDHPGRIVNHAG-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H](Nc1ccnc(C)c1Cl)[C@H](C)O ZINC000395445166 386833405 /nfs/dbraw/zinc/83/34/05/386833405.db2.gz WUCDXLJXNZBQGJ-DTWKUNHWSA-N 0 1 228.723 2.037 20 0 BEADMN COC(=O)c1cc(CN2C[C@H](C)[C@H]2C)oc1C ZINC000293552126 386836760 /nfs/dbraw/zinc/83/67/60/386836760.db2.gz ZDQPRBRNSIVGHE-DTWKUNHWSA-N 0 1 237.299 2.215 20 0 BEADMN COC(=O)c1cc(CN2C[C@@H](C)[C@H]2C)oc1C ZINC000293552134 386837162 /nfs/dbraw/zinc/83/71/62/386837162.db2.gz ZDQPRBRNSIVGHE-RKDXNWHRSA-N 0 1 237.299 2.215 20 0 BEADMN COc1ccc(CN2CCC=C(C)C2)nc1 ZINC000280686345 386838009 /nfs/dbraw/zinc/83/80/09/386838009.db2.gz ARBSPWVVNFKTMB-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN CC(C)c1nc(CS[C@@H]2CCCOC2)n[nH]1 ZINC000330199113 386838223 /nfs/dbraw/zinc/83/82/23/386838223.db2.gz UXLPCEFCUQEUNB-SECBINFHSA-N 0 1 241.360 2.340 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1cnns1 ZINC000334785914 386846987 /nfs/dbraw/zinc/84/69/87/386846987.db2.gz HTDLCHXVTGXLRM-SNVBAGLBSA-N 0 1 211.334 2.159 20 0 BEADMN CCC1(CC)[C@H](NCc2ncccn2)C[C@@H]1OC ZINC000191381430 386892699 /nfs/dbraw/zinc/89/26/99/386892699.db2.gz WLDNOHDEKSMUDC-NEPJUHHUSA-N 0 1 249.358 2.160 20 0 BEADMN CC[C@@]1(O)CCN(Cc2nc(C)sc2C)C1 ZINC000334790790 386856690 /nfs/dbraw/zinc/85/66/90/386856690.db2.gz QMHHFPCYSSPDFL-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cncn2C(C)C)C1 ZINC000425343615 386856901 /nfs/dbraw/zinc/85/69/01/386856901.db2.gz CJXLVHSPZLKYKY-BJHJDKERSA-N 0 1 237.347 2.073 20 0 BEADMN COc1ncncc1CN1CC[C@@H](CC(C)C)C1 ZINC000648008379 386857149 /nfs/dbraw/zinc/85/71/49/386857149.db2.gz FYUQDKOENPBCIH-LBPRGKRZSA-N 0 1 249.358 2.353 20 0 BEADMN COC(=O)c1cc(CN[C@@H]2CC23CC3)oc1C ZINC000425345498 386858273 /nfs/dbraw/zinc/85/82/73/386858273.db2.gz AAUUYUBADUSRCI-LLVKDONJSA-N 0 1 235.283 2.017 20 0 BEADMN CC(C)(C)c1nc(CN2CC[C@](C)(F)C2)n[nH]1 ZINC000335742104 386859311 /nfs/dbraw/zinc/85/93/11/386859311.db2.gz WZVQHLCAOIGLBI-LBPRGKRZSA-N 0 1 240.326 2.036 20 0 BEADMN Cc1ccc(CN2CC[C@@H]2C(C)C)nn1 ZINC000334827067 386862575 /nfs/dbraw/zinc/86/25/75/386862575.db2.gz RUJONDUXUMYRHX-GFCCVEGCSA-N 0 1 205.305 2.015 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)ccc1F ZINC000293719017 386866554 /nfs/dbraw/zinc/86/65/54/386866554.db2.gz SZZLIDDZIWGEFQ-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1[nH]ccc1-c1nc(C2(N)CCCC2)no1 ZINC000334832921 386870840 /nfs/dbraw/zinc/87/08/40/386870840.db2.gz IPRFHAPZIXJQNZ-UHFFFAOYSA-N 0 1 232.287 2.101 20 0 BEADMN Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1 ZINC000335749219 386873010 /nfs/dbraw/zinc/87/30/10/386873010.db2.gz CZNNYVBSJFVJMJ-MNOVXSKESA-N 0 1 234.347 2.124 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1 ZINC000335749219 386873011 /nfs/dbraw/zinc/87/30/11/386873011.db2.gz CZNNYVBSJFVJMJ-MNOVXSKESA-N 0 1 234.347 2.124 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCOC[C@H](C)C1 ZINC000335749121 386873417 /nfs/dbraw/zinc/87/34/17/386873417.db2.gz QZRSZLPNMYBAED-NEPJUHHUSA-N 0 1 220.316 2.111 20 0 BEADMN Cc1cc[nH]c1-c1nc(C2(N)CCCC2)no1 ZINC000334834184 386873899 /nfs/dbraw/zinc/87/38/99/386873899.db2.gz YURSLVYLFVEQLR-UHFFFAOYSA-N 0 1 232.287 2.101 20 0 BEADMN Cc1occc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC000334836404 386879306 /nfs/dbraw/zinc/87/93/06/386879306.db2.gz ORJIGNCPKRAIKT-GJZGRUSLSA-N 0 1 243.306 2.336 20 0 BEADMN CC(C)[C@H]1N(Cc2cc[nH]n2)CC1(C)C ZINC000293781090 386880351 /nfs/dbraw/zinc/88/03/51/386880351.db2.gz BWNARAYLZVUAEV-LLVKDONJSA-N 0 1 207.321 2.276 20 0 BEADMN CCN(CC(=O)NC[C@H]1CC[C@@H](C)C1)C1CC1 ZINC000358046562 386883761 /nfs/dbraw/zinc/88/37/61/386883761.db2.gz VJNUBKRZGKPCTP-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1ncc(CN2C[C@H](O)C[C@@H]2C)s1 ZINC000334841019 386885452 /nfs/dbraw/zinc/88/54/52/386885452.db2.gz XXCYYSFDSMTCLF-VHSXEESVSA-N 0 1 240.372 2.222 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N1CCCN(C)CC1 ZINC000335758559 386885750 /nfs/dbraw/zinc/88/57/50/386885750.db2.gz DOANZIDKRNVOLK-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)n[nH]1 ZINC000335758473 386886334 /nfs/dbraw/zinc/88/63/34/386886334.db2.gz VLJPRLFQRXGCLI-JTQLQIEISA-N 0 1 235.331 2.369 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cccc2n[nH]cc21 ZINC000293851360 386889711 /nfs/dbraw/zinc/88/97/11/386889711.db2.gz BVIRRICSIRNCIB-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN Oc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425358729 386915819 /nfs/dbraw/zinc/91/58/19/386915819.db2.gz RFXNBSGPAMECDY-UHFFFAOYSA-N 0 1 227.254 2.479 20 0 BEADMN Cc1cccn2c(CN3CC(C)C3)cnc12 ZINC000335770857 386917305 /nfs/dbraw/zinc/91/73/05/386917305.db2.gz YHHIOJLXUAHHKL-UHFFFAOYSA-N 0 1 215.300 2.094 20 0 BEADMN CC(C)C[C@@H]1CCCN(Cc2cn(C)nn2)C1 ZINC000341571882 386918590 /nfs/dbraw/zinc/91/85/90/386918590.db2.gz FSLQEAGIAPOUHF-LBPRGKRZSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@@H](C)CONC(=O)c1c(O)cccc1F ZINC000293879405 386895487 /nfs/dbraw/zinc/89/54/87/386895487.db2.gz YYQWSENSHIVXKO-MRVPVSSYSA-N 0 1 241.262 2.239 20 0 BEADMN CC(C)[C@H](Sc1nc(C2CC2)n[nH]1)C(N)=O ZINC000331767687 386897830 /nfs/dbraw/zinc/89/78/30/386897830.db2.gz IVKHGFPTNZAFBR-ZETCQYMHSA-N 0 1 240.332 2.334 20 0 BEADMN CC(C)[C@H](Sc1n[nH]c(C2CC2)n1)C(N)=O ZINC000331767687 386897831 /nfs/dbraw/zinc/89/78/31/386897831.db2.gz IVKHGFPTNZAFBR-ZETCQYMHSA-N 0 1 240.332 2.334 20 0 BEADMN CCC[C@@]1(C)CCCN(Cc2cn(C)nn2)C1 ZINC000341565107 386919610 /nfs/dbraw/zinc/91/96/10/386919610.db2.gz NQFBXHATBIBPIS-ZDUSSCGKSA-N 0 1 236.363 2.217 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000334851713 386900305 /nfs/dbraw/zinc/90/03/05/386900305.db2.gz BDQOENHPBFRILG-NSHDSACASA-N 0 1 207.321 2.278 20 0 BEADMN CC(C)[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000334851713 386900307 /nfs/dbraw/zinc/90/03/07/386900307.db2.gz BDQOENHPBFRILG-NSHDSACASA-N 0 1 207.321 2.278 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCC3)no2)c(C)n1C ZINC000334853043 386904677 /nfs/dbraw/zinc/90/46/77/386904677.db2.gz JNJWONDMEDYQMW-UHFFFAOYSA-N 0 1 246.314 2.030 20 0 BEADMN CSC1(c2nc(C3(N)CCCC3)no2)CC1 ZINC000334854105 386905294 /nfs/dbraw/zinc/90/52/94/386905294.db2.gz DDIZSVWMOKXRDE-UHFFFAOYSA-N 0 1 239.344 2.150 20 0 BEADMN NC1(c2noc(C[C@H]3C=CCCC3)n2)CCC1 ZINC000334853766 386905338 /nfs/dbraw/zinc/90/53/38/386905338.db2.gz OFXHPMWTMLOEDM-JTQLQIEISA-N 0 1 233.315 2.306 20 0 BEADMN CNC(C)(C)c1nc(-c2ccc(OC)cc2)no1 ZINC000061151371 1172657846 /nfs/dbraw/zinc/65/78/46/1172657846.db2.gz IGZQCCARJGMUSX-UHFFFAOYSA-N 0 1 247.298 2.200 20 0 BEADMN Cn1ccnc1CN1CCCCC(C)(C)C1 ZINC000334864808 386922169 /nfs/dbraw/zinc/92/21/69/386922169.db2.gz LAZTVXSEEIVPJX-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358267985 386923028 /nfs/dbraw/zinc/92/30/28/386923028.db2.gz RCJLJOBODUPETQ-KXUCPTDWSA-N 0 1 240.351 2.002 20 0 BEADMN CCCCCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352895805 386940033 /nfs/dbraw/zinc/94/00/33/386940033.db2.gz YHZQIBGPOIEZLU-HUBLWGQQSA-N 0 1 231.405 2.408 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](C(C)C)C2)n[nH]1 ZINC000334878990 386940462 /nfs/dbraw/zinc/94/04/62/386940462.db2.gz AEYKKQCSUUFTKA-NSHDSACASA-N 0 1 249.358 2.480 20 0 BEADMN CN(CCOCC1CCC1)Cc1ccccn1 ZINC000341680626 386941296 /nfs/dbraw/zinc/94/12/96/386941296.db2.gz XVKGSZUOLLIBPG-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CN(CCOCC1CCC1)Cc1cccnc1 ZINC000341674422 386942264 /nfs/dbraw/zinc/94/22/64/386942264.db2.gz IAHFSOXIJFOWNT-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN O=C(c1ccn[nH]1)N(CC1CC1)CC1CCC1 ZINC000358381135 386945597 /nfs/dbraw/zinc/94/55/97/386945597.db2.gz HIWTUPZKKBEPJB-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN COC[C@@H]1CCCCN(Cc2ncc(C)o2)C1 ZINC000368755263 387007195 /nfs/dbraw/zinc/00/71/95/387007195.db2.gz BJPYYQUMEOUUTD-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN Fc1cccc(CCCN2CCO[C@H]3C[C@H]32)c1 ZINC000368321601 386960302 /nfs/dbraw/zinc/96/03/02/386960302.db2.gz MZOBLTVSTVGGNQ-KGLIPLIRSA-N 0 1 235.302 2.231 20 0 BEADMN c1csc(Cc2noc(CNCC3CC3)n2)c1 ZINC000052899765 386961026 /nfs/dbraw/zinc/96/10/26/386961026.db2.gz UKSMVMCJGPZDMU-UHFFFAOYSA-N 0 1 249.339 2.222 20 0 BEADMN CCC(=O)N1CCN(CC2CCCCC2)C1 ZINC000425351783 386961548 /nfs/dbraw/zinc/96/15/48/386961548.db2.gz VYUJVGTXMQZWEQ-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CC(C)C(CN1CC(O)(C(F)F)C1)C(C)C ZINC000425352795 386962919 /nfs/dbraw/zinc/96/29/19/386962919.db2.gz XWBMSAYHLYELMO-UHFFFAOYSA-N 0 1 235.318 2.226 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CCC(C2CC2)CC1 ZINC000368338384 386963789 /nfs/dbraw/zinc/96/37/89/386963789.db2.gz USCWCYBIHDGCTA-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](NC[C@@H]1CCCCO1)c1nccn1C ZINC000341763733 386964577 /nfs/dbraw/zinc/96/45/77/386964577.db2.gz YFEOYCHTETTZCP-NWDGAFQWSA-N 0 1 237.347 2.030 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000341831525 386968165 /nfs/dbraw/zinc/96/81/65/386968165.db2.gz UKQACZHXLRONMW-IUCAKERBSA-N 0 1 238.335 2.054 20 0 BEADMN CCOC(=O)c1ccc(CN[C@H]2CC23CC3)o1 ZINC000425361390 386982530 /nfs/dbraw/zinc/98/25/30/386982530.db2.gz ZFBQUABERFSZGU-NSHDSACASA-N 0 1 235.283 2.098 20 0 BEADMN CN(Cc1ccoc1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000331179627 386983942 /nfs/dbraw/zinc/98/39/42/386983942.db2.gz GPRQHZTZHJIPSH-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN C[C@@H](Sc1c[nH]nn1)c1cccnc1 ZINC000334911980 386985356 /nfs/dbraw/zinc/98/53/56/386985356.db2.gz KFUHXPFNYSBIAH-SSDOTTSWSA-N 0 1 206.274 2.053 20 0 BEADMN Cc1ccc(NC(=O)c2ncc(C)cc2O)nc1 ZINC000358632160 386992158 /nfs/dbraw/zinc/99/21/58/386992158.db2.gz OTHYPYGVKRJIAL-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@@H]1CCCOC1 ZINC000332595637 386993641 /nfs/dbraw/zinc/99/36/41/386993641.db2.gz BRBPJDVJZQPWRI-VHSXEESVSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@@H]1CCCOC1 ZINC000332595637 386993647 /nfs/dbraw/zinc/99/36/47/386993647.db2.gz BRBPJDVJZQPWRI-VHSXEESVSA-N 0 1 246.314 2.185 20 0 BEADMN c1csc(CN2CCC[C@@H]3COCC[C@H]32)n1 ZINC000334919915 386994817 /nfs/dbraw/zinc/99/48/17/386994817.db2.gz ADANSMVKWOGFBJ-GHMZBOCLSA-N 0 1 238.356 2.144 20 0 BEADMN COC[C@H]1CCCCN(Cc2cscn2)C1 ZINC000368661464 386999335 /nfs/dbraw/zinc/99/93/35/386999335.db2.gz WCOFWNPAMDDJEE-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2CC(N)=O)o1 ZINC000331263602 386999836 /nfs/dbraw/zinc/99/98/36/386999836.db2.gz FTGMFUDMTSJWOS-SNVBAGLBSA-N 0 1 237.303 2.263 20 0 BEADMN CC[C@@H](C)N1CCN(c2ncccc2F)CC1 ZINC000334926684 387001949 /nfs/dbraw/zinc/00/19/49/387001949.db2.gz IJGDAPJLQYGPIN-LLVKDONJSA-N 0 1 237.322 2.141 20 0 BEADMN COCC[C@H]1COCC[N@H+]1CCC1CCCC1 ZINC000368692085 387004602 /nfs/dbraw/zinc/00/46/02/387004602.db2.gz LNLDPXDOWJDJAB-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN COc1ncncc1CN1CCCC[C@@H](C)C1 ZINC000648025157 387032959 /nfs/dbraw/zinc/03/29/59/387032959.db2.gz INCASCIKKVOUOY-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)CCN1CCc2ccccc2[C@H]1C(N)=O ZINC000369258791 387033836 /nfs/dbraw/zinc/03/38/36/387033836.db2.gz MJIZGLGWCPDATE-AWEZNQCLSA-N 0 1 246.354 2.117 20 0 BEADMN CCN(Cc1cncn1C(C)C)[C@@H]1CCOC1 ZINC000425386563 387036417 /nfs/dbraw/zinc/03/64/17/387036417.db2.gz UDFMAPILTZQEBA-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN CCN(Cc1cncn1C(C)C)C[C@H](C)OC ZINC000425387008 387036769 /nfs/dbraw/zinc/03/67/69/387036769.db2.gz URJPHMFOLFRRDS-LBPRGKRZSA-N 0 1 239.363 2.321 20 0 BEADMN CCN(Cc1cncnc1OC)CC1CCC1 ZINC000648030009 387048283 /nfs/dbraw/zinc/04/82/83/387048283.db2.gz GBZFKFCQNXXDEX-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)[C@@H]1CN(Cc2cccc(N)c2)CCO1 ZINC000334971471 387056270 /nfs/dbraw/zinc/05/62/70/387056270.db2.gz YJQAHISJWBYKHS-AWEZNQCLSA-N 0 1 234.343 2.126 20 0 BEADMN C/C(Cl)=C/CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000528378697 387015833 /nfs/dbraw/zinc/01/58/33/387015833.db2.gz BALZGFKFCIZJIL-LBQOUHFTSA-N 0 1 239.750 2.352 20 0 BEADMN CCC[C@](C)(N)c1nc(Cc2cccnc2)no1 ZINC000053133429 387019365 /nfs/dbraw/zinc/01/93/65/387019365.db2.gz YDBCJVQVTGLDIP-ZDUSSCGKSA-N 0 1 246.314 2.029 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)c2ccc(C)cc2)n[nH]1 ZINC000334881884 387025344 /nfs/dbraw/zinc/02/53/44/387025344.db2.gz ZPOUMVZOWMYYHO-HUTHGQBESA-N 0 1 249.339 2.290 20 0 BEADMN C[C@H](NC1CC(C)(F)C1)c1cc2n(n1)CCC2 ZINC000334884288 387027480 /nfs/dbraw/zinc/02/74/80/387027480.db2.gz VDWDNVMOQIOAGL-JBLZRFIASA-N 0 1 237.322 2.371 20 0 BEADMN FCCNCc1ccc2c(c1)OC(F)(F)O2 ZINC000425377534 387029832 /nfs/dbraw/zinc/02/98/32/387029832.db2.gz HCETXTYQKWPWQI-UHFFFAOYSA-N 0 1 233.189 2.067 20 0 BEADMN C[C@H]1C[C@@H]1c1noc(C23CCCN2CCC3)n1 ZINC000334981904 387069478 /nfs/dbraw/zinc/06/94/78/387069478.db2.gz SUBIXTVEBGBGHE-UWVGGRQHSA-N 0 1 233.315 2.278 20 0 BEADMN C[C@@H]1C[C@H]1c1noc(C23CCCN2CCC3)n1 ZINC000334981903 387070360 /nfs/dbraw/zinc/07/03/60/387070360.db2.gz SUBIXTVEBGBGHE-NXEZZACHSA-N 0 1 233.315 2.278 20 0 BEADMN CC/C=C/CCN1CC[S@](=O)C[C@H](C)C1 ZINC000369800791 387070507 /nfs/dbraw/zinc/07/05/07/387070507.db2.gz XJWNQAYXJLAISN-WNTXTPNSSA-N 0 1 229.389 2.043 20 0 BEADMN CC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000369849232 387072766 /nfs/dbraw/zinc/07/27/66/387072766.db2.gz AIHPXXWEKHOFGS-UHFFFAOYSA-N 0 1 216.284 2.123 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CC(CC)CC ZINC000359237167 387072904 /nfs/dbraw/zinc/07/29/04/387072904.db2.gz VRUMKCKADCCXPH-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CCn1cncc1CN1CC(C2CCC2)C1 ZINC000418045643 387075053 /nfs/dbraw/zinc/07/50/53/387075053.db2.gz GDXQNMLWHMZZEX-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000352320655 387076851 /nfs/dbraw/zinc/07/68/51/387076851.db2.gz RYNWKXJZZHCNJQ-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN OC[C@H](CC1CCCCC1)NCc1cocn1 ZINC000418121918 387081245 /nfs/dbraw/zinc/08/12/45/387081245.db2.gz DDFDEYCGSIJYGR-LBPRGKRZSA-N 0 1 238.331 2.096 20 0 BEADMN CCCn1ncnc1CN1CCC2(CC2)CC1 ZINC000370030996 387084006 /nfs/dbraw/zinc/08/40/06/387084006.db2.gz MEODKIKASCUJPI-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)cn2)C[C@@H]1C ZINC000336257550 387088269 /nfs/dbraw/zinc/08/82/69/387088269.db2.gz NCTAIVDCNKUCFU-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN COC1CN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418079496 387089153 /nfs/dbraw/zinc/08/91/53/387089153.db2.gz ACOPHDNIBFZVHZ-JSGCOSHPSA-N 0 1 217.312 2.121 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC000334999381 387091864 /nfs/dbraw/zinc/09/18/64/387091864.db2.gz JOIZKAYTQYLNBY-UWVGGRQHSA-N 0 1 243.310 2.291 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(F)c1F ZINC000067331230 387094507 /nfs/dbraw/zinc/09/45/07/387094507.db2.gz HHJKIKJDHOJEIZ-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN CS[C@H]1CCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000336261698 387095766 /nfs/dbraw/zinc/09/57/66/387095766.db2.gz KSHVCEFHUMXGHP-QWRGUYRKSA-N 0 1 237.372 2.283 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCCC1(C)C ZINC000228837683 387131312 /nfs/dbraw/zinc/13/13/12/387131312.db2.gz ZCIMKQMSRIXUDI-NSHDSACASA-N 0 1 235.331 2.161 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C1CCCCC1 ZINC000336265529 387098902 /nfs/dbraw/zinc/09/89/02/387098902.db2.gz ZCYLSQPXTJGAJK-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN FC[C@@H]1CN(C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000418097438 387107104 /nfs/dbraw/zinc/10/71/04/387107104.db2.gz YNGYGQPGAKBCGX-KFWWJZLASA-N 0 1 249.329 2.460 20 0 BEADMN CCC[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000085828056 387109365 /nfs/dbraw/zinc/10/93/65/387109365.db2.gz YMFNTBWYRUAPPD-QMMMGPOBSA-N 0 1 211.261 2.381 20 0 BEADMN C[C@@H]1CCCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000335026043 387119311 /nfs/dbraw/zinc/11/93/11/387119311.db2.gz YIPXDDKTPYGOBC-TZMCWYRMSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1ccc([C@]2(C)CC[N@H+]([C@@H](C)C(=O)[O-])C2)cc1 ZINC000336286659 387119998 /nfs/dbraw/zinc/11/99/98/387119998.db2.gz WFLDOSLZHWPVSY-SWLSCSKDSA-N 0 1 247.338 2.432 20 0 BEADMN Cc1ccc([C@@]2(C)CC[N@H+]([C@H](C)C(=O)[O-])C2)cc1 ZINC000336286657 387120145 /nfs/dbraw/zinc/12/01/45/387120145.db2.gz WFLDOSLZHWPVSY-DOMZBBRYSA-N 0 1 247.338 2.432 20 0 BEADMN Cc1cc(CN2CCCC[C@@H]2C[C@H](C)O)no1 ZINC000228885241 387126263 /nfs/dbraw/zinc/12/62/63/387126263.db2.gz RSDYXZGTBYLYFQ-GXFFZTMASA-N 0 1 238.331 2.108 20 0 BEADMN CC/C=C/CCN1CCC[C@@]12CCOC2=O ZINC000186702235 387126904 /nfs/dbraw/zinc/12/69/04/387126904.db2.gz KAXAMVLNKZYINH-OOPCZODUSA-N 0 1 223.316 2.124 20 0 BEADMN CC1(C)C[C@H](NCc2cnc(C3CC3)o2)CO1 ZINC000418119418 387067978 /nfs/dbraw/zinc/06/79/78/387067978.db2.gz UXKUPUMYPIILKP-JTQLQIEISA-N 0 1 236.315 2.209 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571699832 387149798 /nfs/dbraw/zinc/14/97/98/387149798.db2.gz LEHJFKGPAAKXAC-WZRBSPASSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1csc(C(C)(C)NC[C@H](O)C(C)C)n1 ZINC000284124445 387152195 /nfs/dbraw/zinc/15/21/95/387152195.db2.gz UJWGNONHJVEJBL-JTQLQIEISA-N 0 1 242.388 2.293 20 0 BEADMN Cc1cnn(CC[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000336324841 387152970 /nfs/dbraw/zinc/15/29/70/387152970.db2.gz YQJWWAJSOOEPMF-TXEJJXNPSA-N 0 1 239.388 2.017 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](CC3CC3)C2)n[nH]1 ZINC000359729630 387156299 /nfs/dbraw/zinc/15/62/99/387156299.db2.gz NEDKTBDTEIIXGT-NSHDSACASA-N 0 1 247.342 2.234 20 0 BEADMN CCC(C)(C)NC(=O)CN1CCCC2(CC2)C1 ZINC000186980634 387158707 /nfs/dbraw/zinc/15/87/07/387158707.db2.gz ASTRDOBOVWNDJW-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000336332931 387159296 /nfs/dbraw/zinc/15/92/96/387159296.db2.gz DETBFSHZMYALBX-ZDUSSCGKSA-N 0 1 247.273 2.137 20 0 BEADMN NCC(F)(F)CN[C@H](C1CC1)C1CCCC1 ZINC000423343591 387193192 /nfs/dbraw/zinc/19/31/92/387193192.db2.gz MBDDRCSSAYCKKC-NSHDSACASA-N 0 1 232.318 2.139 20 0 BEADMN COC(=O)[C@@H](C)N(CC[C@H](C)F)C1CCC1 ZINC000352412178 387167197 /nfs/dbraw/zinc/16/71/97/387167197.db2.gz CQPZYCYDTRMKCV-VHSXEESVSA-N 0 1 231.311 2.151 20 0 BEADMN Cc1nc(CN[C@H]2C[C@@H](OC(C)C)C2)cs1 ZINC000459642176 387169396 /nfs/dbraw/zinc/16/93/96/387169396.db2.gz ZRQDXBNZKNPBTO-KLPPZKSPSA-N 0 1 240.372 2.497 20 0 BEADMN CC[C@@H](F)CN1CC[C@H](n2cc(C)cn2)C1 ZINC000352415996 387170952 /nfs/dbraw/zinc/17/09/52/387170952.db2.gz QQVWEXBACIPXLR-NEPJUHHUSA-N 0 1 225.311 2.186 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@H]2C)nc1 ZINC000336345162 387174286 /nfs/dbraw/zinc/17/42/86/387174286.db2.gz VNOWBUMGNCKFHY-MNOVXSKESA-N 0 1 205.305 2.015 20 0 BEADMN COCCCCN(C)Cc1ccn(C(F)F)n1 ZINC000418148901 387179833 /nfs/dbraw/zinc/17/98/33/387179833.db2.gz UJELJQUQFLCCNW-UHFFFAOYSA-N 0 1 247.289 2.137 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000336353959 387182831 /nfs/dbraw/zinc/18/28/31/387182831.db2.gz LDUKWUZEEREXOK-VIFPVBQESA-N 0 1 233.315 2.159 20 0 BEADMN CC[C@]1(C)C[N@@H+](CC[C@@H](C)F)CCO1 ZINC000352421369 387185401 /nfs/dbraw/zinc/18/54/01/387185401.db2.gz KXRXGLNODBYWAN-GHMZBOCLSA-N 0 1 203.301 2.235 20 0 BEADMN CCc1nnc(SC[C@@H]2CCC(C)(C)O2)[nH]1 ZINC000187298354 387187473 /nfs/dbraw/zinc/18/74/73/387187473.db2.gz ALDOBLXLZBYCAR-QMMMGPOBSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCC(C)(C)O2)n1 ZINC000187298354 387187475 /nfs/dbraw/zinc/18/74/75/387187475.db2.gz ALDOBLXLZBYCAR-QMMMGPOBSA-N 0 1 241.360 2.417 20 0 BEADMN CC[C@H]1CN(CCCc2ccc(C)nc2)CCO1 ZINC000353364896 387189974 /nfs/dbraw/zinc/18/99/74/387189974.db2.gz SNKSCVVEEOJGGH-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CCC[C@@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186750961 387132874 /nfs/dbraw/zinc/13/28/74/387132874.db2.gz TZBVQZSRQFZIHW-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)C[C@H](CN(C)CC(N)=O)c1ccccc1 ZINC000353382293 387191918 /nfs/dbraw/zinc/19/19/18/387191918.db2.gz OVQTXAANJRODPR-CQSZACIVSA-N 0 1 248.370 2.233 20 0 BEADMN CC1=CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000228864064 387134694 /nfs/dbraw/zinc/13/46/94/387134694.db2.gz JFLSPRWDUCIJLN-UHFFFAOYSA-N 0 1 235.258 2.324 20 0 BEADMN Cl/C=C/CN1CCC(c2c[nH]cn2)CC1 ZINC000370733900 387137936 /nfs/dbraw/zinc/13/79/36/387137936.db2.gz SOLHSAICXCQBER-DAFODLJHSA-N 0 1 225.723 2.342 20 0 BEADMN C[C@@H](NCc1cccc(F)c1)c1cn[nH]c1 ZINC000229883016 387202251 /nfs/dbraw/zinc/20/22/51/387202251.db2.gz LYWMOQQOUYLMEL-SECBINFHSA-N 0 1 219.263 2.400 20 0 BEADMN C[C@H](NCC(F)(F)CN)C1C(C)(C)C1(C)C ZINC000423350416 387203493 /nfs/dbraw/zinc/20/34/93/387203493.db2.gz ZJWJHHYSOTUYEX-QMMMGPOBSA-N 0 1 234.334 2.241 20 0 BEADMN Cc1ccc(CCCN2C[C@H](C)OC[C@H]2C)cn1 ZINC000353447550 387204692 /nfs/dbraw/zinc/20/46/92/387204692.db2.gz IMLNOZCLQPPHMR-KGLIPLIRSA-N 0 1 248.370 2.432 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)CC1CCC1 ZINC000352440455 387206185 /nfs/dbraw/zinc/20/61/85/387206185.db2.gz NXXLGGLNTXLOGV-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN COCC1=CCN(Cc2cccnc2C)CC1 ZINC000187612139 387209732 /nfs/dbraw/zinc/20/97/32/387209732.db2.gz ATZINWJZECHRSB-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN CCc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)o1 ZINC000093144348 387217895 /nfs/dbraw/zinc/21/78/95/387217895.db2.gz YHDWJJWSGOIHEZ-LLVKDONJSA-N 0 1 225.332 2.433 20 0 BEADMN Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)[O-])o1 ZINC000309781611 387220429 /nfs/dbraw/zinc/22/04/29/387220429.db2.gz RIMVRCOSMANTFL-NXEZZACHSA-N 0 1 223.272 2.198 20 0 BEADMN CCCCOCCN1C[C@H](C)OC2(CCC2)C1 ZINC000572032683 387222237 /nfs/dbraw/zinc/22/22/37/387222237.db2.gz XSTFILIOBLURLS-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN CCCCN1CCC[C@H]1c1nc(C)no1 ZINC000353544077 387226127 /nfs/dbraw/zinc/22/61/27/387226127.db2.gz AEHXGSFORZBIBZ-JTQLQIEISA-N 0 1 209.293 2.315 20 0 BEADMN Cc1noc([C@@H]2CCCN2CCC2CC2)n1 ZINC000353574757 387228522 /nfs/dbraw/zinc/22/85/22/387228522.db2.gz MUGREQSFFXDENO-NSHDSACASA-N 0 1 221.304 2.315 20 0 BEADMN COCCN(Cc1cncs1)CC1CC1 ZINC000572089175 387229189 /nfs/dbraw/zinc/22/91/89/387229189.db2.gz UUKYFHBBHFFXHP-UHFFFAOYSA-N 0 1 226.345 2.002 20 0 BEADMN Cc1ccnc(NC[C@@H]2CCC[C@H](O)C2)c1 ZINC000230148196 387233738 /nfs/dbraw/zinc/23/37/38/387233738.db2.gz VVLDKGNWTJMMKT-NEPJUHHUSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1ccc(F)c(CN2CCN(C)C[C@H]2C)c1 ZINC000353584894 387235195 /nfs/dbraw/zinc/23/51/95/387235195.db2.gz MEZYSWCLOBEELK-GFCCVEGCSA-N 0 1 236.334 2.270 20 0 BEADMN Cc1ccc(CCCN2CCO[C@@H](C)[C@H]2C)cn1 ZINC000353646030 387248291 /nfs/dbraw/zinc/24/82/91/387248291.db2.gz BJZBIWVUAQBEJY-KGLIPLIRSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1ccc(CCCN2CCO[C@@H](C)[C@@H]2C)cn1 ZINC000353646027 387248593 /nfs/dbraw/zinc/24/85/93/387248593.db2.gz BJZBIWVUAQBEJY-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NCC(F)(F)CN ZINC000423345204 387194276 /nfs/dbraw/zinc/19/42/76/387194276.db2.gz NTGMIEAJVBGOPX-UWVGGRQHSA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)CC[C@@H](NCC(F)(F)CN)C1CC1 ZINC000423347594 387196852 /nfs/dbraw/zinc/19/68/52/387196852.db2.gz QRVQAYQWSUGTDD-LLVKDONJSA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NCC(F)(F)CN ZINC000423347406 387197813 /nfs/dbraw/zinc/19/78/13/387197813.db2.gz QJJOGCOJFDDFOT-MNOVXSKESA-N 0 1 234.334 2.385 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCC[C@@H]1CCCF ZINC000423346689 387198192 /nfs/dbraw/zinc/19/81/92/387198192.db2.gz PKEAFMHTWURUOP-NXEZZACHSA-N 0 1 238.297 2.088 20 0 BEADMN C[C@@H](NCC(F)(F)CN)[C@H]1CCCC[C@H]1C ZINC000423347786 387198365 /nfs/dbraw/zinc/19/83/65/387198365.db2.gz RCQBTSIIPPRAHH-MXWKQRLJSA-N 0 1 234.334 2.385 20 0 BEADMN CCC(CC)[C@H](O)CN[C@H](C)c1cc(C)on1 ZINC000353425411 387199294 /nfs/dbraw/zinc/19/92/94/387199294.db2.gz JPSMVNRWWUTEOW-ZWNOBZJWSA-N 0 1 240.347 2.431 20 0 BEADMN CC(C)(C)CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371365187 387199295 /nfs/dbraw/zinc/19/92/95/387199295.db2.gz RSXBCWBJLQACFK-SNVBAGLBSA-N 0 1 249.358 2.210 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(F)F)[C@H](C(=O)[O-])C1 ZINC000571932036 387201916 /nfs/dbraw/zinc/20/19/16/387201916.db2.gz YHCNXRUMZNMXCA-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN c1nc(CN2CC[C@H]2Cc2ccccc2)c[nH]1 ZINC000353997227 387309654 /nfs/dbraw/zinc/30/96/54/387309654.db2.gz IXMBSANBZFFIQL-AWEZNQCLSA-N 0 1 227.311 2.227 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000162057707 387309730 /nfs/dbraw/zinc/30/97/30/387309730.db2.gz WSYHFXFASZCLJK-NSHDSACASA-N 0 1 225.288 2.355 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000514949020 387312271 /nfs/dbraw/zinc/31/22/71/387312271.db2.gz FUZILWVMIASIRQ-GMXVVIOVSA-N 0 1 249.358 2.235 20 0 BEADMN CC(=O)c1cc(CN2CCC[C@H]2C(C)C)on1 ZINC000572175630 387257746 /nfs/dbraw/zinc/25/77/46/387257746.db2.gz PXJITRVJXDRRQA-ZDUSSCGKSA-N 0 1 236.315 2.498 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000424730523 387261188 /nfs/dbraw/zinc/26/11/88/387261188.db2.gz DWPBGVGBTZVXLE-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCCC[C@H]2C)n1 ZINC000424730523 387261191 /nfs/dbraw/zinc/26/11/91/387261191.db2.gz DWPBGVGBTZVXLE-RKDXNWHRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000424730517 387261716 /nfs/dbraw/zinc/26/17/16/387261716.db2.gz DWPBGVGBTZVXLE-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCCC[C@H]2C)n1 ZINC000424730517 387261717 /nfs/dbraw/zinc/26/17/17/387261717.db2.gz DWPBGVGBTZVXLE-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1cnoc1C ZINC000459712450 387267764 /nfs/dbraw/zinc/26/77/64/387267764.db2.gz MYCLOVYPNCVLEH-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN F[C@@H]1CCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000648642256 387268176 /nfs/dbraw/zinc/26/81/76/387268176.db2.gz HFDIHRYMZPAYQS-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1nc2ccccc2n1C ZINC000189257874 387277241 /nfs/dbraw/zinc/27/72/41/387277241.db2.gz QIZKAUJMYHLACU-WDEREUQCSA-N 0 1 247.342 2.259 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CC1CCCCC1 ZINC000353821431 387279573 /nfs/dbraw/zinc/27/95/73/387279573.db2.gz RZNLBOHDNGWEAI-HSMVNMDESA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H](NCCCF)c1c(F)cncc1F ZINC000285703969 387280487 /nfs/dbraw/zinc/28/04/87/387280487.db2.gz OKWWAOMUSCEMAG-SSDOTTSWSA-N 0 1 218.222 2.370 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000336453362 387280337 /nfs/dbraw/zinc/28/03/37/387280337.db2.gz VYENLMZNSMOIGC-JTQLQIEISA-N 0 1 222.336 2.124 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000514730720 387282213 /nfs/dbraw/zinc/28/22/13/387282213.db2.gz UFSYZJOFCNEEIW-DTORHVGOSA-N 0 1 223.272 2.351 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncccc2[O-])C1 ZINC000514819117 387289706 /nfs/dbraw/zinc/28/97/06/387289706.db2.gz VIALWWCKGXNIPQ-PHIMTYICSA-N 0 1 220.316 2.265 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ncccc2[O-])C1 ZINC000514819117 387289711 /nfs/dbraw/zinc/28/97/11/387289711.db2.gz VIALWWCKGXNIPQ-PHIMTYICSA-N 0 1 220.316 2.265 20 0 BEADMN Cc1noc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000336467640 387296471 /nfs/dbraw/zinc/29/64/71/387296471.db2.gz YVVNFAJWXNDKHO-JTQLQIEISA-N 0 1 223.320 2.389 20 0 BEADMN CC(C)CC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000372398786 387299016 /nfs/dbraw/zinc/29/90/16/387299016.db2.gz VIUTUFDUPMJLTG-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](F)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000514867335 387304284 /nfs/dbraw/zinc/30/42/84/387304284.db2.gz UWMLUBHBRBLJAX-VIFPVBQESA-N 0 1 243.278 2.466 20 0 BEADMN CC[C@H](F)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000514867335 387304290 /nfs/dbraw/zinc/30/42/90/387304290.db2.gz UWMLUBHBRBLJAX-VIFPVBQESA-N 0 1 243.278 2.466 20 0 BEADMN c1nc(CN2CC[C@@H]2Cc2ccccc2)c[nH]1 ZINC000353997230 387308225 /nfs/dbraw/zinc/30/82/25/387308225.db2.gz IXMBSANBZFFIQL-CQSZACIVSA-N 0 1 227.311 2.227 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)CCC ZINC000162051964 387309127 /nfs/dbraw/zinc/30/91/27/387309127.db2.gz WWVXUEGLOQYECI-JTQLQIEISA-N 0 1 201.310 2.362 20 0 BEADMN CO[C@@](C)(CN[C@@H](C)c1cc(C)on1)C1CC1 ZINC000360994066 387384024 /nfs/dbraw/zinc/38/40/24/387384024.db2.gz DFMKHIBBYDUUHY-GWCFXTLKSA-N 0 1 238.331 2.449 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCNC[C@H]1CCC ZINC000423525419 387355211 /nfs/dbraw/zinc/35/52/11/387355211.db2.gz YFHVNWJKELVTEN-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000336551658 387372719 /nfs/dbraw/zinc/37/27/19/387372719.db2.gz GRRYMDRASKTAFC-RYUDHWBXSA-N 0 1 234.347 2.091 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)n1 ZINC000336551499 387373235 /nfs/dbraw/zinc/37/32/35/387373235.db2.gz DPGZHJDPCOZCKJ-KOLCDFICSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C)[C@@H]2C)n1 ZINC000336551499 387373239 /nfs/dbraw/zinc/37/32/39/387373239.db2.gz DPGZHJDPCOZCKJ-KOLCDFICSA-N 0 1 205.305 2.015 20 0 BEADMN Cn1cc(CN2CC[C@@H]2c2ccccc2)cn1 ZINC000336553346 387376428 /nfs/dbraw/zinc/37/64/28/387376428.db2.gz MUZVWDQDDQJZCG-CQSZACIVSA-N 0 1 227.311 2.367 20 0 BEADMN Cc1ccnc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)n1 ZINC000336555208 387376985 /nfs/dbraw/zinc/37/69/85/387376985.db2.gz BXVRHTDOVVKYLW-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccnc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000336555208 387376988 /nfs/dbraw/zinc/37/69/88/387376988.db2.gz BXVRHTDOVVKYLW-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cnc(CN2CCCC2(C)C)nc1 ZINC000336556135 387381001 /nfs/dbraw/zinc/38/10/01/387381001.db2.gz LSMXPJRFYLLWPO-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN CCS[C@H]1CCC[C@H]1NCc1ccon1 ZINC000286271028 387322500 /nfs/dbraw/zinc/32/25/00/387322500.db2.gz UCAGPTGLFUIPFN-MNOVXSKESA-N 0 1 226.345 2.438 20 0 BEADMN CC[C@@H](C)CCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000354233898 387350790 /nfs/dbraw/zinc/35/07/90/387350790.db2.gz ALXFDDGVWHJGOI-MNOVXSKESA-N 0 1 249.358 2.210 20 0 BEADMN Cc1cccc(CCNCc2ccon2)c1 ZINC000648466703 387351741 /nfs/dbraw/zinc/35/17/41/387351741.db2.gz NADGHLFWXCAAFU-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN CCOc1ccc(C[N@@H+](C)C[C@@H](O)CC)cc1 ZINC000304021576 387429767 /nfs/dbraw/zinc/42/97/67/387429767.db2.gz YGVGOSKUWOTMGR-ZDUSSCGKSA-N 0 1 237.343 2.288 20 0 BEADMN CCCC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000374301570 387439486 /nfs/dbraw/zinc/43/94/86/387439486.db2.gz JZKINLRILIQUEB-UONOGXRCSA-N 0 1 246.354 2.001 20 0 BEADMN COC(=O)[C@@H]1CCCN1C[C@H]1CCC(F)(F)C1 ZINC000304181492 387445176 /nfs/dbraw/zinc/44/51/76/387445176.db2.gz MMLJQAPHRIEVCC-UWVGGRQHSA-N 0 1 247.285 2.059 20 0 BEADMN COC(=O)[C@H]1CCCN1C[C@@H]1CCC(F)(F)C1 ZINC000304181490 387445308 /nfs/dbraw/zinc/44/53/08/387445308.db2.gz MMLJQAPHRIEVCC-NXEZZACHSA-N 0 1 247.285 2.059 20 0 BEADMN C(=C/c1ccncc1)\CN1CCO[C@@H]2CCC[C@@H]21 ZINC000336605943 387448669 /nfs/dbraw/zinc/44/86/69/387448669.db2.gz BQLPVZNGXKEIJL-MQQKUOPWSA-N 0 1 244.338 2.348 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC[C@@H](F)C2)nn1 ZINC000516062552 387452445 /nfs/dbraw/zinc/45/24/45/387452445.db2.gz CGSUHYAYAJYVSM-GHMZBOCLSA-N 0 1 240.326 2.229 20 0 BEADMN CC(C)N(Cc1ccc(F)cn1)[C@@H]1CCOC1 ZINC000361408440 387458228 /nfs/dbraw/zinc/45/82/28/387458228.db2.gz NPTJFXGVEXDSID-CYBMUJFWSA-N 0 1 238.306 2.220 20 0 BEADMN CC[C@H](O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000304290046 387459937 /nfs/dbraw/zinc/45/99/37/387459937.db2.gz CBQZVMLVHPSURX-VHDGCEQUSA-N 0 1 249.354 2.219 20 0 BEADMN COc1ccc(CN2[C@@H](C)C[C@@H]2C)cn1 ZINC000336567613 387394069 /nfs/dbraw/zinc/39/40/69/387394069.db2.gz SILPURFFAOMWIK-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)o1 ZINC000361151123 387407236 /nfs/dbraw/zinc/40/72/36/387407236.db2.gz CYIMZYCGAHXRTJ-RYUDHWBXSA-N 0 1 236.359 2.366 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1ccc2cncn2c1 ZINC000336587764 387411560 /nfs/dbraw/zinc/41/15/60/387411560.db2.gz YTPGFIHJMOSBDO-ZDUSSCGKSA-N 0 1 243.310 2.205 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CCCCCC1 ZINC000361195310 387414970 /nfs/dbraw/zinc/41/49/70/387414970.db2.gz ZBBFYFUSGHWLCR-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CSCCN1CCC[C@H]1c1cc(C)on1 ZINC000361203652 387416263 /nfs/dbraw/zinc/41/62/63/387416263.db2.gz LGGXBUVGEDPFKS-NSHDSACASA-N 0 1 226.345 2.483 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)n[nH]1 ZINC000354696831 387416701 /nfs/dbraw/zinc/41/67/01/387416701.db2.gz DAICYPBLWPFPQZ-WCABBAIRSA-N 0 1 235.331 2.225 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccncc2F)CC1 ZINC000648512532 387494510 /nfs/dbraw/zinc/49/45/10/387494510.db2.gz CNYDLPSFUPBXIM-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@H](C)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000421917826 387503576 /nfs/dbraw/zinc/50/35/76/387503576.db2.gz OWDRQXUVGDMMLZ-JTQLQIEISA-N 0 1 249.358 2.455 20 0 BEADMN Cc1ccc2c(c1)CN(CCC(=O)NC(C)C)C2 ZINC000361590663 387504837 /nfs/dbraw/zinc/50/48/37/387504837.db2.gz ZAPWIKOBCXTRGL-UHFFFAOYSA-N 0 1 246.354 2.225 20 0 BEADMN CSCCCN1CCC[C@H]1c1ncc[nH]1 ZINC000375006377 387506412 /nfs/dbraw/zinc/50/64/12/387506412.db2.gz WIUULASZUFCFAD-JTQLQIEISA-N 0 1 225.361 2.300 20 0 BEADMN CC(C)CCNC(=O)[C@@H]1NCCc2ccccc21 ZINC000044426665 387510595 /nfs/dbraw/zinc/51/05/95/387510595.db2.gz QKQWMUAAQYJEMW-CQSZACIVSA-N 0 1 246.354 2.036 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000361619216 387511784 /nfs/dbraw/zinc/51/17/84/387511784.db2.gz LZHCNNHTCXXDSB-OLZOCXBDSA-N 0 1 238.375 2.332 20 0 BEADMN Cc1c(C)c(C)c(CN(C)CC(N)=O)c(C)c1C ZINC000361634039 387513036 /nfs/dbraw/zinc/51/30/36/387513036.db2.gz YXVLBAYYVDZLKP-UHFFFAOYSA-N 0 1 248.370 2.146 20 0 BEADMN COC(=O)[C@H](C)N(C)CCC1CCCC1 ZINC000361634358 387514133 /nfs/dbraw/zinc/51/41/33/387514133.db2.gz AUZQOJQOYDSIHY-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCC1CCCC1 ZINC000361644767 387516845 /nfs/dbraw/zinc/51/68/45/387516845.db2.gz BEKCSJVNCOOUOH-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN COC[C@@H]1CCN1Cc1scnc1C1CC1 ZINC000354057373 387519910 /nfs/dbraw/zinc/51/99/10/387519910.db2.gz UNQHLKNFUOFVLN-JTQLQIEISA-N 0 1 238.356 2.241 20 0 BEADMN Cc1cc(C)c(CN[C@H](C)c2cn[nH]c2)cn1 ZINC000396959545 387521418 /nfs/dbraw/zinc/52/14/18/387521418.db2.gz AXYFLDPWSPUBAF-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nsc(NC[C@@H]2C[C@H]2C2CCC2)n1 ZINC000425281101 387523534 /nfs/dbraw/zinc/52/35/34/387523534.db2.gz LJDIZKMMGRGFFY-UWVGGRQHSA-N 0 1 223.345 2.117 20 0 BEADMN Cn1cc(CNCCC2=CCCCCC2)nn1 ZINC000361729531 387527275 /nfs/dbraw/zinc/52/72/75/387527275.db2.gz ORIGAALUSVJCQP-UHFFFAOYSA-N 0 1 234.347 2.185 20 0 BEADMN CCc1cnc(CN[C@H]2COC(C)(C)C2)s1 ZINC000396987774 387529198 /nfs/dbraw/zinc/52/91/98/387529198.db2.gz WPXJKTLSECEQGA-SECBINFHSA-N 0 1 240.372 2.363 20 0 BEADMN CC[C@@H](C(N)=O)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000375329276 387529686 /nfs/dbraw/zinc/52/96/86/387529686.db2.gz YSYOKUYCVYQJMN-AWEZNQCLSA-N 0 1 244.338 2.040 20 0 BEADMN CC[C@@H](C(N)=O)N1CCC=C(c2ccccc2)C1 ZINC000375329276 387529690 /nfs/dbraw/zinc/52/96/90/387529690.db2.gz YSYOKUYCVYQJMN-AWEZNQCLSA-N 0 1 244.338 2.040 20 0 BEADMN COC(C)(C)CN(C)Cc1ccnn1C(C)C ZINC000527219873 387535147 /nfs/dbraw/zinc/53/51/47/387535147.db2.gz DWUNWQNBZQMKKU-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN CC(C)[C@H]1CCN([C@@H](C)c2nnnn2C2CC2)C1 ZINC000361834815 387540210 /nfs/dbraw/zinc/54/02/10/387540210.db2.gz WZHBGDUVSYGOPZ-QWRGUYRKSA-N 0 1 249.362 2.047 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000355028807 387465216 /nfs/dbraw/zinc/46/52/16/387465216.db2.gz SIIGJLYPAOEQGK-SECBINFHSA-N 0 1 248.330 2.197 20 0 BEADMN CCN(CCC1CC1)Cc1nccn1C ZINC000355029539 387466239 /nfs/dbraw/zinc/46/62/39/387466239.db2.gz BAWBAHMKBYOQIE-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CN(CCC(F)(F)F)Cc1n[nH]c(C2CC2)n1 ZINC000355061725 387471606 /nfs/dbraw/zinc/47/16/06/387471606.db2.gz GQVYATPKIVKSLO-UHFFFAOYSA-N 0 1 248.252 2.066 20 0 BEADMN CC[C@H](NC1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000304421050 387478163 /nfs/dbraw/zinc/47/81/63/387478163.db2.gz JSEWSYJFMFXPMQ-DCAQKATOSA-N 0 1 227.348 2.352 20 0 BEADMN CC[C@]1(C)COCCN1Cc1ccc(CO)cc1 ZINC000352780068 387478489 /nfs/dbraw/zinc/47/84/89/387478489.db2.gz RLGJYEXDIBRCPN-OAHLLOKOSA-N 0 1 249.354 2.180 20 0 BEADMN c1nc(NCC2=CCCOC2)cc2c1CCCC2 ZINC000336628860 387481051 /nfs/dbraw/zinc/48/10/51/387481051.db2.gz VEWJFSAESHLXPP-UHFFFAOYSA-N 0 1 244.338 2.141 20 0 BEADMN CCC1(CNC(=O)CN2CCC(C)CC2)CC1 ZINC000122165454 387488284 /nfs/dbraw/zinc/48/82/84/387488284.db2.gz BFEBTZHURLXOGJ-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN C=Cn1cc(CN(C)[C@H]2CC2(C)C)cn1 ZINC000426536196 387581302 /nfs/dbraw/zinc/58/13/02/387581302.db2.gz ATCHNMINYXDVEM-NSHDSACASA-N 0 1 205.305 2.214 20 0 BEADMN CCC1(CC)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000355823968 387582536 /nfs/dbraw/zinc/58/25/36/387582536.db2.gz XVIJFXVYMWSZQO-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN COc1cc(CN(C)CC2(F)CC2)ccc1O ZINC000527509402 387586909 /nfs/dbraw/zinc/58/69/09/387586909.db2.gz ZOCFTQLQHLRMJN-UHFFFAOYSA-N 0 1 239.290 2.335 20 0 BEADMN Cc1cc(C(=O)N2CCC3(CCC3)CC2)n[nH]1 ZINC000375863015 387589234 /nfs/dbraw/zinc/58/92/34/387589234.db2.gz VDVCANMFZWCFPK-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN CC(C)CO[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527511229 387590897 /nfs/dbraw/zinc/59/08/97/387590897.db2.gz YWXDUSRQRYHGQC-LLVKDONJSA-N 0 1 215.312 2.235 20 0 BEADMN Cc1cccc(NCC[C@H](C)CCO)n1 ZINC000294959579 387591010 /nfs/dbraw/zinc/59/10/10/387591010.db2.gz NFFJXMHMNASNDR-JTQLQIEISA-N 0 1 208.305 2.211 20 0 BEADMN Cc1cnccc1NC(=O)c1ccc(F)cc1O ZINC000123724986 387592765 /nfs/dbraw/zinc/59/27/65/387592765.db2.gz QCJCKPYWBULOGC-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC[C@@H](C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375965487 387597310 /nfs/dbraw/zinc/59/73/10/387597310.db2.gz RPTQQNHKHBTMDL-SNVBAGLBSA-N 0 1 249.358 2.470 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@]2(C)CC2(F)F)n1 ZINC000422551128 387599226 /nfs/dbraw/zinc/59/92/26/387599226.db2.gz MSWGAVWTXHDZPQ-XCBNKYQSSA-N 0 1 245.273 2.412 20 0 BEADMN CC[C@H](c1ccccc1)N(C)CC(=O)NC1CC1 ZINC000122859926 387608947 /nfs/dbraw/zinc/60/89/47/387608947.db2.gz SSLPAENEGPQAGW-CQSZACIVSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccoc1 ZINC000376397001 387626798 /nfs/dbraw/zinc/62/67/98/387626798.db2.gz JEZQHUUDDGBTQN-WCFLWFBJSA-N 0 1 248.326 2.084 20 0 BEADMN CCCn1cc(CN2[C@H](C)C[C@@H]2C)cn1 ZINC000527238734 387547856 /nfs/dbraw/zinc/54/78/56/387547856.db2.gz QXBNZTMUMKVETP-PHIMTYICSA-N 0 1 207.321 2.276 20 0 BEADMN C[C@@H]1C[C@H](C)N1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000548426351 387551618 /nfs/dbraw/zinc/55/16/18/387551618.db2.gz UURYMZZPNRKBCN-ZDEQEGDKSA-N 0 1 238.375 2.259 20 0 BEADMN CCCCCN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362072441 387566881 /nfs/dbraw/zinc/56/68/81/387566881.db2.gz NDSPPHZHMSOLBF-YABSGUDNSA-N 0 1 217.378 2.018 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)o1 ZINC000426459264 387571630 /nfs/dbraw/zinc/57/16/30/387571630.db2.gz JYLIFSGLQVBEOQ-JQWIXIFHSA-N 0 1 249.310 2.441 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426482286 387575058 /nfs/dbraw/zinc/57/50/58/387575058.db2.gz KIANGKMYVFVQBK-CMPLNLGQSA-N 0 1 249.310 2.441 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@H]1C=CCCC1 ZINC000362582470 387634951 /nfs/dbraw/zinc/63/49/51/387634951.db2.gz YVKUTEHFXDGHDW-RYUDHWBXSA-N 0 1 238.375 2.330 20 0 BEADMN CCOC[C@H](C)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000547967066 387639104 /nfs/dbraw/zinc/63/91/04/387639104.db2.gz ATDMWPVUVDCGEK-JTQLQIEISA-N 0 1 233.315 2.078 20 0 BEADMN OCCCNCc1c(F)ccc(F)c1Cl ZINC000527629725 387641694 /nfs/dbraw/zinc/64/16/94/387641694.db2.gz PAXCOSCYXUSRQB-UHFFFAOYSA-N 0 1 235.661 2.090 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@@H]2C)n1C ZINC000125192580 387645546 /nfs/dbraw/zinc/64/55/46/387645546.db2.gz XWSZTUKASQHATP-MNOVXSKESA-N 0 1 236.363 2.134 20 0 BEADMN CC(C)N1CCN(CCC2CCCC2)CC1=O ZINC000356335930 387645878 /nfs/dbraw/zinc/64/58/78/387645878.db2.gz AANWTPCUOOBPIE-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ncn(C)n1 ZINC000430734229 387646872 /nfs/dbraw/zinc/64/68/72/387646872.db2.gz UYCBKQHWVBDEEJ-UTUOFQBUSA-N 0 1 236.363 2.120 20 0 BEADMN Cc1noc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000125430068 387656606 /nfs/dbraw/zinc/65/66/06/387656606.db2.gz HYJSDUOCHGIPEB-UWVGGRQHSA-N 0 1 223.320 2.389 20 0 BEADMN OCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451961214 387690757 /nfs/dbraw/zinc/69/07/57/387690757.db2.gz CZWHGLPOVDLBTF-ZDUSSCGKSA-N 0 1 241.281 2.484 20 0 BEADMN OCCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451961214 387690762 /nfs/dbraw/zinc/69/07/62/387690762.db2.gz CZWHGLPOVDLBTF-ZDUSSCGKSA-N 0 1 241.281 2.484 20 0 BEADMN C[C@@H](CO)N(C)Cc1ccc(Cl)cc1F ZINC000163517150 387691402 /nfs/dbraw/zinc/69/14/02/387691402.db2.gz YGCJYXZTYRVFOD-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN CC[C@@H](F)CN(C)CCc1ccccn1 ZINC000440774212 387691714 /nfs/dbraw/zinc/69/17/14/387691714.db2.gz LPUOOKOJLPBIEY-LLVKDONJSA-N 0 1 210.296 2.304 20 0 BEADMN CCN(CCO)Cc1ccc(Cl)cc1F ZINC000163515411 387692211 /nfs/dbraw/zinc/69/22/11/387692211.db2.gz YZNUDZXUMCCDNE-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CC[C@H](F)CN(C)CCc1ccccn1 ZINC000440774213 387693804 /nfs/dbraw/zinc/69/38/04/387693804.db2.gz LPUOOKOJLPBIEY-NSHDSACASA-N 0 1 210.296 2.304 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ncccc1F ZINC000527827513 387746473 /nfs/dbraw/zinc/74/64/73/387746473.db2.gz DPNPECNXUMFYTH-WDCWCFNPSA-N 0 1 238.306 2.437 20 0 BEADMN Cc1cc(F)c(CNCC(C)(C)O)c(F)c1 ZINC000424143986 387754794 /nfs/dbraw/zinc/75/47/94/387754794.db2.gz KPFRXINBZHXVJR-UHFFFAOYSA-N 0 1 229.270 2.134 20 0 BEADMN Cc1cc(F)c(CNCC[C@@H](C)O)c(F)c1 ZINC000424141072 387700680 /nfs/dbraw/zinc/70/06/80/387700680.db2.gz GRGQISXVFMFMAN-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN CCc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)o1 ZINC000527765170 387700917 /nfs/dbraw/zinc/70/09/17/387700917.db2.gz INLAVBDQVOBRJI-YGRLFVJLSA-N 0 1 235.327 2.499 20 0 BEADMN CC[C@H](F)CN(C)CCC(=O)OC(C)(C)C ZINC000440797232 387701728 /nfs/dbraw/zinc/70/17/28/387701728.db2.gz HNVGFDQNQSMHKR-JTQLQIEISA-N 0 1 233.327 2.398 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H]1C1CC1 ZINC000377533001 387724018 /nfs/dbraw/zinc/72/40/18/387724018.db2.gz DKXPTPXZSCXJOP-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cnc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)s1 ZINC000527804666 387727132 /nfs/dbraw/zinc/72/71/32/387727132.db2.gz RLICCCXSXQTLRY-GMOBBJLQSA-N 0 1 240.372 2.353 20 0 BEADMN FCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367586664 387730867 /nfs/dbraw/zinc/73/08/67/387730867.db2.gz PLADGGQIWDCKNW-CHWSQXEVSA-N 0 1 245.338 2.006 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356868942 387736715 /nfs/dbraw/zinc/73/67/15/387736715.db2.gz ZOJJNOLDPWRGTF-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN COC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115739642 387739701 /nfs/dbraw/zinc/73/97/01/387739701.db2.gz AQLYVEUUXJESMW-MBNYWOFBSA-N 0 1 247.338 2.426 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H]2C2CC2)nn1 ZINC000377704733 387741170 /nfs/dbraw/zinc/74/11/70/387741170.db2.gz YMNJVSSGEOHDHW-CYBMUJFWSA-N 0 1 234.347 2.233 20 0 BEADMN CC[N@H+]1CCCC[C@H]1C(=O)NCCC(C)(F)F ZINC000452212256 387772578 /nfs/dbraw/zinc/77/25/78/387772578.db2.gz HVNDBFGMJFBACA-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN C(c1nc(C2CC2)no1)N1CC[C@H](C2CC2)C1 ZINC000378319786 387776693 /nfs/dbraw/zinc/77/66/93/387776693.db2.gz OOULVJHEWDCWRT-NSHDSACASA-N 0 1 233.315 2.179 20 0 BEADMN CO[C@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450475783 387785469 /nfs/dbraw/zinc/78/54/69/387785469.db2.gz ZUHGGLDMYCXIJJ-AWEZNQCLSA-N 0 1 233.311 2.110 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cnc(C)nc1C ZINC000527974349 387813106 /nfs/dbraw/zinc/81/31/06/387813106.db2.gz NNGIPDOZTDRZNK-GDLCADMTSA-N 0 1 249.358 2.312 20 0 BEADMN C/C=C/CSCc1n[nH]c(C2CC2)n1 ZINC000193649131 387799140 /nfs/dbraw/zinc/79/91/40/387799140.db2.gz ZOWLCXLFNCOFTQ-NSCUHMNNSA-N 0 1 209.318 2.491 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cncs1 ZINC000527972646 387813276 /nfs/dbraw/zinc/81/32/76/387813276.db2.gz BZKLJXMDSHTZSA-IEBDPFPHSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1ncncc1[C@@H](C)N[C@@H]1C[C@]1(C)OC(C)C ZINC000528004324 387809577 /nfs/dbraw/zinc/80/95/77/387809577.db2.gz FBCCTFGTROGUFF-BNOWGMLFSA-N 0 1 249.358 2.392 20 0 BEADMN CSCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356974486 387757062 /nfs/dbraw/zinc/75/70/62/387757062.db2.gz ZCZSQJAPKHKSLR-UHFFFAOYSA-N 0 1 246.295 2.476 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC2(CCC2)CC1 ZINC000367816798 387758430 /nfs/dbraw/zinc/75/84/30/387758430.db2.gz VPEAYJCRZDNDOC-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CC1(C)CCC1 ZINC000432790463 387819740 /nfs/dbraw/zinc/81/97/40/387819740.db2.gz WYDIDBAEWPHNHG-RYUDHWBXSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[C@@H]1O ZINC000157528443 387821665 /nfs/dbraw/zinc/82/16/65/387821665.db2.gz BMOUDYJOSFGMMR-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN CCC[C@H](NCc1cnnn1C)c1ccccc1 ZINC000135846959 387825326 /nfs/dbraw/zinc/82/53/26/387825326.db2.gz GTHRHAHGEAYTPS-AWEZNQCLSA-N 0 1 244.342 2.446 20 0 BEADMN CCN1CCN(CC2(C)CCC2)C(C)(C)C1=O ZINC000432811294 387825547 /nfs/dbraw/zinc/82/55/47/387825547.db2.gz KZGGVYJFNSYDIH-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432828325 387830366 /nfs/dbraw/zinc/83/03/66/387830366.db2.gz JSXWGJQWOAFRJG-SECBINFHSA-N 0 1 224.352 2.333 20 0 BEADMN Cc1ccc(CNCc2cccnc2)cn1 ZINC000057591054 387837906 /nfs/dbraw/zinc/83/79/06/387837906.db2.gz KWOZRNOQCZCSDI-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CC1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC000061757164 387845817 /nfs/dbraw/zinc/84/58/17/387845817.db2.gz QDZMUDVAKKROCJ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCCCN1CCOC[C@@]12CCOC2 ZINC000193710493 387861270 /nfs/dbraw/zinc/86/12/70/387861270.db2.gz HATWPHXWNYPHIG-ZDUSSCGKSA-N 0 1 227.348 2.058 20 0 BEADMN COc1ccc(CCNc2cccc(C)n2)cn1 ZINC000528187652 387867577 /nfs/dbraw/zinc/86/75/77/387867577.db2.gz YDJBKADVLNTDAU-UHFFFAOYSA-N 0 1 243.310 2.448 20 0 BEADMN CC(C)(C)c1nc(CN2CC[C@H](C3CC3)C2)n[nH]1 ZINC000432775618 387815046 /nfs/dbraw/zinc/81/50/46/387815046.db2.gz VOFXNACJNPKAMQ-NSHDSACASA-N 0 1 248.374 2.334 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccoc1 ZINC000527975530 387815228 /nfs/dbraw/zinc/81/52/28/387815228.db2.gz ZVAKFKDCWYYCIA-WCQGTBRESA-N 0 1 209.289 2.498 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](CC)c1ccn(C)n1 ZINC000527976746 387816033 /nfs/dbraw/zinc/81/60/33/387816033.db2.gz FYTIIHYVXALDKL-UHTWSYAYSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1occc1CN[C@@H](CO)c1ccccc1 ZINC000320967442 387818295 /nfs/dbraw/zinc/81/82/95/387818295.db2.gz AZZQLEDQGVBOAA-AWEZNQCLSA-N 0 1 231.295 2.411 20 0 BEADMN CCOCCN[C@@H](C)c1cccnc1Cl ZINC000161910687 387890216 /nfs/dbraw/zinc/89/02/16/387890216.db2.gz MCURRFHVUNRXLG-VIFPVBQESA-N 0 1 228.723 2.422 20 0 BEADMN OCC[C@@H](NCC1=CCCC1)c1ccco1 ZINC000645860183 387879944 /nfs/dbraw/zinc/87/99/44/387879944.db2.gz JIKUIJSXVAVKQS-GFCCVEGCSA-N 0 1 221.300 2.403 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)O)cc1Cl ZINC000194630455 387887298 /nfs/dbraw/zinc/88/72/98/387887298.db2.gz ZWHRKPVIJHHWJK-SNVBAGLBSA-N 0 1 227.735 2.461 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)[C@H](C)[C@@H](C)O1 ZINC000438367277 387929452 /nfs/dbraw/zinc/92/94/52/387929452.db2.gz ZMISKVKBISDQBA-IJLUTSLNSA-N 0 1 222.332 2.023 20 0 BEADMN N[C@H](C(=O)N1CCC2(CCC2)C1)c1ccccc1 ZINC000238001235 387931851 /nfs/dbraw/zinc/93/18/51/387931851.db2.gz WYMLTQOCKWOZTG-ZDUSSCGKSA-N 0 1 244.338 2.089 20 0 BEADMN CCN(Cc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC000170242531 387932263 /nfs/dbraw/zinc/93/22/63/387932263.db2.gz PQOXPZFYAHQNHA-UHFFFAOYSA-N 0 1 243.310 2.001 20 0 BEADMN C[C@@H](Cc1cccs1)NCc1cocn1 ZINC000182064485 387936964 /nfs/dbraw/zinc/93/69/64/387936964.db2.gz JOZWPRJJCDRPGX-VIFPVBQESA-N 0 1 222.313 2.457 20 0 BEADMN C[C@]1(O)CCN(Cc2ccc(Cl)s2)C1 ZINC000178005687 387920820 /nfs/dbraw/zinc/92/08/20/387920820.db2.gz XHOZWVNNGBBBII-JTQLQIEISA-N 0 1 231.748 2.358 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)[C@@H](C)[C@H](C)O1 ZINC000438361210 387926591 /nfs/dbraw/zinc/92/65/91/387926591.db2.gz APOHTDWIHJPRTL-WOPDTQHZSA-N 0 1 222.332 2.023 20 0 BEADMN CCCN1CCC[C@H]1C(=O)N[C@H](C)C(C)(F)F ZINC000452858126 387927688 /nfs/dbraw/zinc/92/76/88/387927688.db2.gz HGOJIPJMCVLGHO-ZJUUUORDSA-N 0 1 248.317 2.021 20 0 BEADMN CCN(C)C(=O)CNCc1cc2ccccc2o1 ZINC000185176028 387951965 /nfs/dbraw/zinc/95/19/65/387951965.db2.gz QABTZOQZNVVVDM-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CC(C)CCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000450345538 387953476 /nfs/dbraw/zinc/95/34/76/387953476.db2.gz BDFMWLNQDATHHO-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)N(C)C(=O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000438762020 387953674 /nfs/dbraw/zinc/95/36/74/387953674.db2.gz FQSMEVSHDFIROB-CYBMUJFWSA-N 0 1 249.358 2.018 20 0 BEADMN C[C@H](c1ccccn1)[N@@H+](C)CCc1cncn1C ZINC000459394963 387937510 /nfs/dbraw/zinc/93/75/10/387937510.db2.gz SUGOUQIVCJGOGC-GFCCVEGCSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@H]1CCCCO1 ZINC000245396845 387944199 /nfs/dbraw/zinc/94/41/99/387944199.db2.gz MVEVJRJCLGPPQK-QWHCGFSZSA-N 0 1 234.343 2.434 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@H]1CCCCO1 ZINC000245396844 387944235 /nfs/dbraw/zinc/94/42/35/387944235.db2.gz MVEVJRJCLGPPQK-CHWSQXEVSA-N 0 1 234.343 2.434 20 0 BEADMN CC(C)OC(=O)CCN(C)CCC(F)(F)F ZINC000438787158 387956632 /nfs/dbraw/zinc/95/66/32/387956632.db2.gz DEWUCRXJNCDZMQ-UHFFFAOYSA-N 0 1 241.253 2.212 20 0 BEADMN C[C@H](NCCCO)c1nc(C(C)(C)C)cs1 ZINC000184475581 387947184 /nfs/dbraw/zinc/94/71/84/387947184.db2.gz IYOIDDONPNANML-VIFPVBQESA-N 0 1 242.388 2.474 20 0 BEADMN O=C(Nc1ccncc1)c1cccc2nc[nH]c21 ZINC000158664082 387959647 /nfs/dbraw/zinc/95/96/47/387959647.db2.gz XWEFODQZZBYZRC-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000424306504 387962023 /nfs/dbraw/zinc/96/20/23/387962023.db2.gz IDBTUPCKGRQZQS-WDEREUQCSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000424305046 387962059 /nfs/dbraw/zinc/96/20/59/387962059.db2.gz CJAYCTRAHLKPJW-JTQLQIEISA-N 0 1 235.331 2.154 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CC[C@](C)(O)C1 ZINC000245562612 387962102 /nfs/dbraw/zinc/96/21/02/387962102.db2.gz XZDSLHWUEYWICN-HZMBPMFUSA-N 0 1 246.310 2.346 20 0 BEADMN COc1ccnc(CN[C@@H](C)CCC(C)C)n1 ZINC000424305534 387962495 /nfs/dbraw/zinc/96/24/95/387962495.db2.gz DWHVYZDIOFQSFZ-NSHDSACASA-N 0 1 237.347 2.400 20 0 BEADMN CCOC1(C)CN(C[C@H](O)C2CCCCC2)C1 ZINC000453024420 387963144 /nfs/dbraw/zinc/96/31/44/387963144.db2.gz SCPMMVUFHNJWPT-ZDUSSCGKSA-N 0 1 241.375 2.038 20 0 BEADMN CC1(CC(F)(F)F)CN(CC2(O)CCC2)C1 ZINC000453036671 387967540 /nfs/dbraw/zinc/96/75/40/387967540.db2.gz LRQYBELZMOCPNO-UHFFFAOYSA-N 0 1 237.265 2.176 20 0 BEADMN C=Cn1cc(CNCc2ccsc2)cn1 ZINC000194353110 387979799 /nfs/dbraw/zinc/97/97/99/387979799.db2.gz VGNVEVLRTKYJHI-UHFFFAOYSA-N 0 1 219.313 2.335 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@]1(C)CCCO1 ZINC000453127700 387991574 /nfs/dbraw/zinc/99/15/74/387991574.db2.gz LQTSHHIWCXBIHH-YPMHNXCESA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@@H](OC)c1nc(C2(N)CCCCC2)no1 ZINC000424340744 387982443 /nfs/dbraw/zinc/98/24/43/387982443.db2.gz HKLJRXGFUNVJPB-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN CCO[C@H](C)c1nc(C2(N)CCCCC2)no1 ZINC000424347819 387985054 /nfs/dbraw/zinc/98/50/54/387985054.db2.gz SLUZPUYNDOFFDV-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN Cc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000045894526 388000601 /nfs/dbraw/zinc/00/06/01/388000601.db2.gz PHUTYWNULMNDRG-UHFFFAOYSA-N 0 1 216.200 2.028 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000453166024 388001081 /nfs/dbraw/zinc/00/10/81/388001081.db2.gz CNPYBUCVZQRMLX-YVECIDJPSA-N 0 1 249.358 2.436 20 0 BEADMN CC(C)=CCSCCCN1CCOCC1 ZINC000446121459 388001925 /nfs/dbraw/zinc/00/19/25/388001925.db2.gz GUQGVAYJVUCFSN-UHFFFAOYSA-N 0 1 229.389 2.408 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccsc2)no1 ZINC000054053225 388010355 /nfs/dbraw/zinc/01/03/55/388010355.db2.gz XGZLAUWYEMGDAB-LURJTMIESA-N 0 1 209.274 2.079 20 0 BEADMN COCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246154341 388015102 /nfs/dbraw/zinc/01/51/02/388015102.db2.gz KNBZUZWOQMJTRX-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN CCn1ccnc1[C@@H](C)NC1CC(C)(F)C1 ZINC000453227908 388016385 /nfs/dbraw/zinc/01/63/85/388016385.db2.gz BLGYVYCAZKPFOS-GRZMOONWSA-N 0 1 225.311 2.444 20 0 BEADMN C[C@H]1CCC[C@@H](CC(=O)N2CCN[C@@H](C)C2)C1 ZINC000446411645 388019719 /nfs/dbraw/zinc/01/97/19/388019719.db2.gz RJEQVFQBZHBRBH-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000261527243 135150748 /nfs/dbraw/zinc/15/07/48/135150748.db2.gz CYWSAQJJTNZIHU-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@@H]([C@H](C)N[C@@H](C)c1cc(C)on1)C1CC1 ZINC000453341471 388051641 /nfs/dbraw/zinc/05/16/41/388051641.db2.gz CFQYPJKPYYOQMY-KWBADKCTSA-N 0 1 238.331 2.447 20 0 BEADMN CO[C@@H]([C@@H](C)N[C@H](C)c1cc(C)on1)C1CC1 ZINC000453341461 388052214 /nfs/dbraw/zinc/05/22/14/388052214.db2.gz CFQYPJKPYYOQMY-BREBYQMCSA-N 0 1 238.331 2.447 20 0 BEADMN CC[C@@H](F)CN1CC=C(COC)CC1 ZINC000440540825 388052534 /nfs/dbraw/zinc/05/25/34/388052534.db2.gz ZTTXCCRDLFFBMT-LLVKDONJSA-N 0 1 201.285 2.013 20 0 BEADMN C[C@@H](NCc1cnc(C2CC2)o1)[C@@H]1CCCO1 ZINC000453343217 388052621 /nfs/dbraw/zinc/05/26/21/388052621.db2.gz GLAHKRVQPSLISN-SKDRFNHKSA-N 0 1 236.315 2.209 20 0 BEADMN CC(C)c1nsc(NC2CCN(C)CC2)n1 ZINC000083652874 388057296 /nfs/dbraw/zinc/05/72/96/388057296.db2.gz TVTRRAQJFWRBDK-UHFFFAOYSA-N 0 1 240.376 2.168 20 0 BEADMN CCc1nc(C[S@@](=O)C(C)(C)C(C)C)n[nH]1 ZINC000447243915 388058574 /nfs/dbraw/zinc/05/85/74/388058574.db2.gz BVMROSDAPHJROY-MRXNPFEDSA-N 0 1 243.376 2.050 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)CCC(=O)[O-] ZINC000261527761 135152172 /nfs/dbraw/zinc/15/21/72/135152172.db2.gz GVADLLZMJQLCTA-SNVBAGLBSA-N 0 1 201.310 2.075 20 0 BEADMN COCC[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000447347842 388065960 /nfs/dbraw/zinc/06/59/60/388065960.db2.gz GMLBIEAZZQVZJU-ZETCQYMHSA-N 0 1 227.333 2.199 20 0 BEADMN COCC[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000447347842 388065963 /nfs/dbraw/zinc/06/59/63/388065963.db2.gz GMLBIEAZZQVZJU-ZETCQYMHSA-N 0 1 227.333 2.199 20 0 BEADMN CC[C@@H](F)CN(C)[C@@H](CO)c1ccccc1 ZINC000440698578 388069605 /nfs/dbraw/zinc/06/96/05/388069605.db2.gz ZLWWVGDDOCMNTJ-OLZOCXBDSA-N 0 1 225.307 2.400 20 0 BEADMN CCC[C@@]1(COC)CCCN1Cc1ncccn1 ZINC000447401654 388069616 /nfs/dbraw/zinc/06/96/16/388069616.db2.gz BASACMPPCGUQEO-AWEZNQCLSA-N 0 1 249.358 2.258 20 0 BEADMN C[N@@H+](CCCF)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447406042 388070612 /nfs/dbraw/zinc/07/06/12/388070612.db2.gz SIFNSRLZJDZWLX-UHFFFAOYSA-N 0 1 227.327 2.499 20 0 BEADMN CN(CCCF)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447406042 388070615 /nfs/dbraw/zinc/07/06/15/388070615.db2.gz SIFNSRLZJDZWLX-UHFFFAOYSA-N 0 1 227.327 2.499 20 0 BEADMN CC[C@@H](F)CN(CCO)Cc1ccccc1 ZINC000440700804 388070778 /nfs/dbraw/zinc/07/07/78/388070778.db2.gz HNRPEAIMHSXLKI-CYBMUJFWSA-N 0 1 225.307 2.229 20 0 BEADMN CC[C@H](NC[C@@H]1CC[C@H](C)O1)c1nccn1C ZINC000453411210 388077018 /nfs/dbraw/zinc/07/70/18/388077018.db2.gz QFEBUICVJBZIMM-SRVKXCTJSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)C(=O)NC ZINC000453422892 388080653 /nfs/dbraw/zinc/08/06/53/388080653.db2.gz XOPWEMNTDBTXOB-GXSJLCMTSA-N 0 1 238.331 2.072 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCC[C@H]2CC)cn1 ZINC000447743843 388090711 /nfs/dbraw/zinc/09/07/11/388090711.db2.gz VYBGBTQSXDGDJY-GFCCVEGCSA-N 0 1 205.305 2.358 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NCc1cc[nH]n1 ZINC000453605566 388091665 /nfs/dbraw/zinc/09/16/65/388091665.db2.gz CXWQIAOQADIFEU-NWDGAFQWSA-N 0 1 207.321 2.324 20 0 BEADMN CCCn1ncnc1CN1CC[C@H]2CCC[C@@H]21 ZINC000447879302 388099613 /nfs/dbraw/zinc/09/96/13/388099613.db2.gz PPPXYDMWPBOKCU-NEPJUHHUSA-N 0 1 234.347 2.063 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000086726297 388108061 /nfs/dbraw/zinc/10/80/61/388108061.db2.gz DQYARXAFHFQKNI-GFCCVEGCSA-N 0 1 245.278 2.482 20 0 BEADMN CCC[C@@H](OC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000448811717 388113482 /nfs/dbraw/zinc/11/34/82/388113482.db2.gz RUJTVHYDWHQHDO-GFCCVEGCSA-N 0 1 247.298 2.317 20 0 BEADMN CC[C@@H](NCc1cnccc1C)c1cnn(C)c1 ZINC000453320926 388044918 /nfs/dbraw/zinc/04/49/18/388044918.db2.gz GJQJGZJESMQCLU-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccco2)n1 ZINC000083305540 388048695 /nfs/dbraw/zinc/04/86/95/388048695.db2.gz UOZVBLDXJOADBC-QMMMGPOBSA-N 0 1 221.260 2.376 20 0 BEADMN CCCNC(=O)CNC1(c2ccccc2C)CC1 ZINC000645978933 388114187 /nfs/dbraw/zinc/11/41/87/388114187.db2.gz IBULTSDYBKTVJR-UHFFFAOYSA-N 0 1 246.354 2.100 20 0 BEADMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000453335436 388050763 /nfs/dbraw/zinc/05/07/63/388050763.db2.gz AEHIOUPGRQJIAA-NQBHXWOUSA-N 0 1 239.315 2.043 20 0 BEADMN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccon1 ZINC000449237377 388160321 /nfs/dbraw/zinc/16/03/21/388160321.db2.gz NTNJJNWCNFKUDT-OYNCUSHFSA-N 0 1 212.318 2.077 20 0 BEADMN COc1cc(C)ccc1C[N@@H+](C)CC1(O)CCC1 ZINC000449240374 388160723 /nfs/dbraw/zinc/16/07/23/388160723.db2.gz YRDLZMCDCORLPV-UHFFFAOYSA-N 0 1 249.354 2.350 20 0 BEADMN C[C@@H](NCC(F)(F)CO)[C@H]1CCCC[C@H]1C ZINC000449254500 388163534 /nfs/dbraw/zinc/16/35/34/388163534.db2.gz YIVMAZRXIYHULD-MXWKQRLJSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000455651824 388165893 /nfs/dbraw/zinc/16/58/93/388165893.db2.gz WSVYWVNNFQQCFL-VIFPVBQESA-N 0 1 227.329 2.086 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000646252560 388171085 /nfs/dbraw/zinc/17/10/85/388171085.db2.gz QHLGTTYGLJCBDI-WDEREUQCSA-N 0 1 221.348 2.478 20 0 BEADMN COc1cc(C)ccc1CN[C@@H](C)CF ZINC000449329930 388174241 /nfs/dbraw/zinc/17/42/41/388174241.db2.gz KBCZHXUNQTZTAH-JTQLQIEISA-N 0 1 211.280 2.451 20 0 BEADMN COC[C@@H]1CCN1Cc1cc2cccnc2o1 ZINC000449341915 388177026 /nfs/dbraw/zinc/17/70/26/388177026.db2.gz XJVWTPWFDJDMKV-NSHDSACASA-N 0 1 232.283 2.049 20 0 BEADMN COc1nccnc1CN1CC[C@H](CC2CC2)C1 ZINC000449346476 388177571 /nfs/dbraw/zinc/17/75/71/388177571.db2.gz ZSDDZZBUNGZQOX-GFCCVEGCSA-N 0 1 247.342 2.107 20 0 BEADMN COC(=O)C(C)(C)CCN1CCC[C@](C)(F)C1 ZINC000449351054 388179065 /nfs/dbraw/zinc/17/90/65/388179065.db2.gz NWEWBPJYXVXVTO-ZDUSSCGKSA-N 0 1 245.338 2.400 20 0 BEADMN CCc1nnc([C@@H](C)NC2CC(C(C)C)C2)[nH]1 ZINC000488450149 388180463 /nfs/dbraw/zinc/18/04/63/388180463.db2.gz RJDNNAXZVKDROA-KPPDAEKUSA-N 0 1 236.363 2.452 20 0 BEADMN CC[C@@H](N[C@@H](C)CCn1cccn1)C(F)F ZINC000449364773 388183005 /nfs/dbraw/zinc/18/30/05/388183005.db2.gz TVPLBLMHJCTGAL-VHSXEESVSA-N 0 1 231.290 2.295 20 0 BEADMN CCn1nncc1CN(C)CCC(C)(C)C ZINC000646028965 388127908 /nfs/dbraw/zinc/12/79/08/388127908.db2.gz REPBSKCHEAIRDH-UHFFFAOYSA-N 0 1 224.352 2.166 20 0 BEADMN COC[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000449024703 388131205 /nfs/dbraw/zinc/13/12/05/388131205.db2.gz DBEDWMZKNYPZRM-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN COc1cc(F)cc(CN2CC[C@@H](OC)C2)c1 ZINC000449025121 388131830 /nfs/dbraw/zinc/13/18/30/388131830.db2.gz APTCOXPWQCQXGZ-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN COc1nccnc1C[N@H+]1CCCC[C@@H]1C(C)C ZINC000449037272 388134243 /nfs/dbraw/zinc/13/42/43/388134243.db2.gz YFOSQXXBBZFRTR-CYBMUJFWSA-N 0 1 249.358 2.496 20 0 BEADMN Cc1nocc1CN1CCC[C@H](n2ccnc2)C1 ZINC000646071550 388136861 /nfs/dbraw/zinc/13/68/61/388136861.db2.gz QTSXKCOKWCLGQA-ZDUSSCGKSA-N 0 1 246.314 2.017 20 0 BEADMN COCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449064150 388137443 /nfs/dbraw/zinc/13/74/43/388137443.db2.gz OSIWROLCQGPFBT-SECBINFHSA-N 0 1 245.244 2.327 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000646092501 388140899 /nfs/dbraw/zinc/14/08/99/388140899.db2.gz BPLVOZODKDPKHV-CDEVMZEPSA-N 0 1 221.304 2.217 20 0 BEADMN Cc1ccoc1CNCc1ccn(C)c1 ZINC000165171820 388251428 /nfs/dbraw/zinc/25/14/28/388251428.db2.gz BRPGHTLBURHSQH-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000165513150 388252763 /nfs/dbraw/zinc/25/27/63/388252763.db2.gz ZINIQZVUJRZCDX-LBPRGKRZSA-N 0 1 213.321 2.219 20 0 BEADMN FCC(CF)N[C@@H]1CCc2ccccc2C1 ZINC000449380577 388188897 /nfs/dbraw/zinc/18/88/97/388188897.db2.gz NYNIJWOJTFWCRC-GFCCVEGCSA-N 0 1 225.282 2.441 20 0 BEADMN C[C@H](C[S@](C)=O)NCc1ccccc1Cl ZINC000164271280 388191297 /nfs/dbraw/zinc/19/12/97/388191297.db2.gz FXPQSSQGHZENHL-RFAUZJTJSA-N 0 1 245.775 2.197 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H]2C(C)C)c1C ZINC000456294056 388192443 /nfs/dbraw/zinc/19/24/43/388192443.db2.gz HEBKYACBAOVAAW-QWRGUYRKSA-N 0 1 235.331 2.048 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456352978 388196456 /nfs/dbraw/zinc/19/64/56/388196456.db2.gz NTTIMTLZINHZLY-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccccc1CNCc1n[nH]c(C2CC2)n1 ZINC000449406312 388196760 /nfs/dbraw/zinc/19/67/60/388196760.db2.gz WUFZXEIOJQFPDV-UHFFFAOYSA-N 0 1 242.326 2.280 20 0 BEADMN CN(Cc1ccc(Cl)o1)CC(C)(C)CO ZINC000449412381 388198447 /nfs/dbraw/zinc/19/84/47/388198447.db2.gz CEWSVXVCBIRSMS-UHFFFAOYSA-N 0 1 231.723 2.383 20 0 BEADMN CCN(Cc1cccc2cc[nH]c21)C1COC1 ZINC000449422823 388200666 /nfs/dbraw/zinc/20/06/66/388200666.db2.gz FVNYKQCTRMOBCC-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000293917850 177769067 /nfs/dbraw/zinc/76/90/67/177769067.db2.gz CUOOTVDZERNYIW-NXEZZACHSA-N 0 1 243.310 2.352 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456524781 388205626 /nfs/dbraw/zinc/20/56/26/388205626.db2.gz GQQQIVROXRTKKX-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNCc1csnn1 ZINC000449434620 388205615 /nfs/dbraw/zinc/20/56/15/388205615.db2.gz RWNNNNCTISEKAU-VHSXEESVSA-N 0 1 225.361 2.454 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNCc1csnn1 ZINC000449434621 388205887 /nfs/dbraw/zinc/20/58/87/388205887.db2.gz RWNNNNCTISEKAU-ZJUUUORDSA-N 0 1 225.361 2.454 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489340968 388208345 /nfs/dbraw/zinc/20/83/45/388208345.db2.gz QXVKMNMBAIFPGV-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN COc1cccc(CN(C)[C@H]2CC2(C)C)n1 ZINC000489394745 388210864 /nfs/dbraw/zinc/21/08/64/388210864.db2.gz CHAOQNBCVCSJBN-NSHDSACASA-N 0 1 220.316 2.321 20 0 BEADMN COc1cccc(CN(C)[C@@H]2CC2(C)C)n1 ZINC000489394742 388211117 /nfs/dbraw/zinc/21/11/17/388211117.db2.gz CHAOQNBCVCSJBN-LLVKDONJSA-N 0 1 220.316 2.321 20 0 BEADMN COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC2(C)C)o1 ZINC000489432652 388213217 /nfs/dbraw/zinc/21/32/17/388213217.db2.gz SVAZTFUCURVKRM-NSHDSACASA-N 0 1 237.299 2.297 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@H]2CC2(C)C)o1 ZINC000489432652 388213219 /nfs/dbraw/zinc/21/32/19/388213219.db2.gz SVAZTFUCURVKRM-NSHDSACASA-N 0 1 237.299 2.297 20 0 BEADMN COC(=O)c1coc(CN(C)[C@H]2CC2(C)C)c1 ZINC000489476405 388217425 /nfs/dbraw/zinc/21/74/25/388217425.db2.gz ICOLJYLIKLQOQQ-NSHDSACASA-N 0 1 237.299 2.297 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C)cn2)C[C@H]1C ZINC000449494455 388218593 /nfs/dbraw/zinc/21/85/93/388218593.db2.gz NCCLOKYKNGAHLF-RISCZKNCSA-N 0 1 249.358 2.032 20 0 BEADMN CN(CC(=O)c1cccn1C)C1(C)CCCC1 ZINC000489857065 388226502 /nfs/dbraw/zinc/22/65/02/388226502.db2.gz JUWQWXZMJIEGEI-UHFFFAOYSA-N 0 1 234.343 2.472 20 0 BEADMN CCCc1csc(CN[C@H](CC)[C@@H](C)O)n1 ZINC000449543269 388228091 /nfs/dbraw/zinc/22/80/91/388228091.db2.gz ODFJQTPWPHHKSM-MWLCHTKSSA-N 0 1 242.388 2.345 20 0 BEADMN C[C@H](NC(=O)C(C)(C)c1cnc[nH]1)C1CCCC1 ZINC000456898725 388231892 /nfs/dbraw/zinc/23/18/92/388231892.db2.gz SJGLFLJAGQMHII-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN CC(C)OC[C@@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449569656 388235596 /nfs/dbraw/zinc/23/55/96/388235596.db2.gz HYUOSVGOCBCCKU-GRYCIOLGSA-N 0 1 237.347 2.292 20 0 BEADMN Cc1nocc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000449587169 388238106 /nfs/dbraw/zinc/23/81/06/388238106.db2.gz NWFDQVSSTYIXHL-LBPRGKRZSA-N 0 1 240.347 2.212 20 0 BEADMN CCCc1ncc(CN[C@H](C)Cn2cccn2)o1 ZINC000449611098 388242602 /nfs/dbraw/zinc/24/26/02/388242602.db2.gz IPKXUIRRTAUDDP-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN CCc1ncc(CN[C@H](COC)CC(C)C)o1 ZINC000449610566 388242792 /nfs/dbraw/zinc/24/27/92/388242792.db2.gz RIJFWEGUXKGACB-NSHDSACASA-N 0 1 240.347 2.388 20 0 BEADMN CC[C@@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000449629597 388245903 /nfs/dbraw/zinc/24/59/03/388245903.db2.gz KVYPWUJPOSQQRN-OLZOCXBDSA-N 0 1 212.381 2.449 20 0 BEADMN CO[C@@H]1CCN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC000451563994 388281936 /nfs/dbraw/zinc/28/19/36/388281936.db2.gz KJLJFTOPPLLBLV-YUSALJHKSA-N 0 1 238.331 2.401 20 0 BEADMN CO[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C[C@H]1C ZINC000451563992 388281983 /nfs/dbraw/zinc/28/19/83/388281983.db2.gz KJLJFTOPPLLBLV-ADEWGFFLSA-N 0 1 238.331 2.401 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N[C@H](C)C1 ZINC000451637482 388286685 /nfs/dbraw/zinc/28/66/85/388286685.db2.gz BKAYCWSGXCTLLA-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN COc1ccc2c(c1)CN(CCCF)CCO2 ZINC000451645102 388286857 /nfs/dbraw/zinc/28/68/57/388286857.db2.gz YKKMZKYJHPUMPU-UHFFFAOYSA-N 0 1 239.290 2.249 20 0 BEADMN CC1(C)CCN(CCCCCF)CC[S@]1=O ZINC000451750926 388293511 /nfs/dbraw/zinc/29/35/11/388293511.db2.gz ACXUKWMDPXQWAE-MRXNPFEDSA-N 0 1 249.395 2.359 20 0 BEADMN CCc1noc(C)c1CN1CCC[C@H](OC)C1 ZINC000163454935 388293807 /nfs/dbraw/zinc/29/38/07/388293807.db2.gz HDZALQGXQJWKJY-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CC(C)c1ncc(CN2CC[C@@H](CO)C2)s1 ZINC000092763198 256589716 /nfs/dbraw/zinc/58/97/16/256589716.db2.gz ONJKJKUBIZRDPP-SNVBAGLBSA-N 0 1 240.372 2.081 20 0 BEADMN CCCN1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC000491837696 388324475 /nfs/dbraw/zinc/32/44/75/388324475.db2.gz IOFKZHGZZROSJF-VOTSOKGWSA-N 0 1 238.375 2.143 20 0 BEADMN CC(C)N1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC000491866342 388325355 /nfs/dbraw/zinc/32/53/55/388325355.db2.gz HZYXPTFKSYJCAH-SREVYHEPSA-N 0 1 238.375 2.141 20 0 BEADMN FCC1CCN(CCOCC(F)(F)F)CC1 ZINC000451387890 388268858 /nfs/dbraw/zinc/26/88/58/388268858.db2.gz HMBFZVCSNHIEDU-UHFFFAOYSA-N 0 1 243.244 2.247 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(C)ncn2)C[C@H]1C ZINC000451526243 388278955 /nfs/dbraw/zinc/27/89/55/388278955.db2.gz GKXGZLLVQQXXDR-BXUZGUMPSA-N 0 1 249.358 2.032 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(C)no2)C[C@H]1C ZINC000451529726 388280025 /nfs/dbraw/zinc/28/00/25/388280025.db2.gz RPYCTQMLMLMBLI-ZWNOBZJWSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)[C@@H](C)CN1C ZINC000492318811 388341370 /nfs/dbraw/zinc/34/13/70/388341370.db2.gz JQTKLSIEEXBAPI-LASXONHFSA-N 0 1 238.375 2.140 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)/C=C\C(C)(C)C)CCN1C ZINC000492366761 388342505 /nfs/dbraw/zinc/34/25/05/388342505.db2.gz VLVMZCYBEXNHPT-PKJDGDQJSA-N 0 1 238.375 2.140 20 0 BEADMN CCc1nc(NC(=O)/C=C\C2CCCCC2)n[nH]1 ZINC000492392387 388343348 /nfs/dbraw/zinc/34/33/48/388343348.db2.gz CGXXAALCUBJQIW-HJWRWDBZSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)C=CC2CCCCC2)n1 ZINC000492392387 388343349 /nfs/dbraw/zinc/34/33/49/388343349.db2.gz CGXXAALCUBJQIW-HJWRWDBZSA-N 0 1 248.330 2.442 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nc(C3CC3)nn2C)[C@H]1C ZINC000516567501 388349237 /nfs/dbraw/zinc/34/92/37/388349237.db2.gz IVFAJVAPBFKQNT-MXWKQRLJSA-N 0 1 248.374 2.169 20 0 BEADMN CC(=O)N1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000556104151 388349382 /nfs/dbraw/zinc/34/93/82/388349382.db2.gz LUXKEBXWSNHDRI-CQSZACIVSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H]1CN(Cc2nc(C3CC3)nn2C)[C@@H](C)[C@H]1C ZINC000516567503 388349572 /nfs/dbraw/zinc/34/95/72/388349572.db2.gz IVFAJVAPBFKQNT-VWYCJHECSA-N 0 1 248.374 2.169 20 0 BEADMN CN(CCCCO)Cc1cccc(F)c1F ZINC000276613486 388349865 /nfs/dbraw/zinc/34/98/65/388349865.db2.gz HBTXJDAZANNEGV-UHFFFAOYSA-N 0 1 229.270 2.169 20 0 BEADMN C[C@@H](CCO)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293674222 388358187 /nfs/dbraw/zinc/35/81/87/388358187.db2.gz VBXKVHOOLCTPHC-VIFPVBQESA-N 0 1 243.734 2.154 20 0 BEADMN CSC1(CNCc2ncc(Cl)n2C)CC1 ZINC000235030329 388364328 /nfs/dbraw/zinc/36/43/28/388364328.db2.gz DQFSUPVDPWLTGG-UHFFFAOYSA-N 0 1 245.779 2.059 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1NC(=O)CN(C)C ZINC000524517190 388364419 /nfs/dbraw/zinc/36/44/19/388364419.db2.gz LOJKZZQGEGJZER-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CN(Cc1ccco1)C(=O)c1c(O)cccc1F ZINC000163572085 388364897 /nfs/dbraw/zinc/36/48/97/388364897.db2.gz NUVFKBPACAMTCZ-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN C[C@H](C(=O)NCC(C)(F)F)N1[C@H](C)CC[C@H]1C ZINC000516593860 388367335 /nfs/dbraw/zinc/36/73/35/388367335.db2.gz IEYNDQFKNDHVQQ-OPRDCNLKSA-N 0 1 248.317 2.019 20 0 BEADMN O=C(Nc1ccccn1)c1c(O)cccc1F ZINC000163772412 388367604 /nfs/dbraw/zinc/36/76/04/388367604.db2.gz QKBHNJZXQFIJEH-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN CCCn1cc(CN2CCC2(C)C)cn1 ZINC000572743175 388371934 /nfs/dbraw/zinc/37/19/34/388371934.db2.gz LHYPELLAJQPSEY-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CN(C)CC(=O)N(C)CCCCc1ccccc1 ZINC000193554070 388372301 /nfs/dbraw/zinc/37/23/01/388372301.db2.gz GRSPWPJBEATRHA-UHFFFAOYSA-N 0 1 248.370 2.029 20 0 BEADMN Cc1nn(C(C)C)cc1CN[C@@H](C)CF ZINC000288486786 388405506 /nfs/dbraw/zinc/40/55/06/388405506.db2.gz QKAPQGQAYVQVPQ-VIFPVBQESA-N 0 1 213.300 2.220 20 0 BEADMN O[C@H]1CC[C@H](CNCc2ncc(Cl)s2)C1 ZINC000236577985 388380244 /nfs/dbraw/zinc/38/02/44/388380244.db2.gz ZOTIPMXISARCBW-YUMQZZPRSA-N 0 1 246.763 2.047 20 0 BEADMN NC1(c2noc(/C=C/c3cscn3)n2)CCC1 ZINC000572878412 388383519 /nfs/dbraw/zinc/38/35/19/388383519.db2.gz FBBQMXBJDNESKD-NSCUHMNNSA-N 0 1 248.311 2.034 20 0 BEADMN Cc1cnc(CNCCc2nccs2)s1 ZINC000294963957 388406148 /nfs/dbraw/zinc/40/61/48/388406148.db2.gz GBJNMDHTFJGTPT-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CS[C@H](C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000293846759 388392884 /nfs/dbraw/zinc/39/28/84/388392884.db2.gz CHPNSFPVJLKMEA-IVZWLZJFSA-N 0 1 225.361 2.230 20 0 BEADMN COC(=O)c1cnc([C@H](C)NCC(C)C)s1 ZINC000314720807 256673780 /nfs/dbraw/zinc/67/37/80/256673780.db2.gz UPXVXBOKKJTSIO-QMMMGPOBSA-N 0 1 242.344 2.236 20 0 BEADMN CCCN(Cc1oncc1C(=O)OC)C(C)C ZINC000572971592 388401549 /nfs/dbraw/zinc/40/15/49/388401549.db2.gz GJEZOBATXRHZIB-UHFFFAOYSA-N 0 1 240.303 2.082 20 0 BEADMN CCCC[N@@H+](C)CCNC(=O)/C=C\C1CCC1 ZINC000492098042 388335001 /nfs/dbraw/zinc/33/50/01/388335001.db2.gz YVLNUGHGYMONKQ-HJWRWDBZSA-N 0 1 238.375 2.191 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCNC(C)(C)C1)CC ZINC000492118452 388335586 /nfs/dbraw/zinc/33/55/86/388335586.db2.gz MBWHOVDEXCGGKJ-FUSVFIKZSA-N 0 1 236.359 2.109 20 0 BEADMN CCC[C@H](CNCc1ncc(C)s1)OC ZINC000294694885 388403861 /nfs/dbraw/zinc/40/38/61/388403861.db2.gz BZJPBMMXQTVSIB-SNVBAGLBSA-N 0 1 228.361 2.356 20 0 BEADMN CC=CC=CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000492277483 388340141 /nfs/dbraw/zinc/34/01/41/388340141.db2.gz OAXHPJXXZIHTET-AILJGOMRSA-N 0 1 248.330 2.238 20 0 BEADMN C[C@H](COCC(F)(F)F)NCc1ccco1 ZINC000299325846 388440290 /nfs/dbraw/zinc/44/02/90/388440290.db2.gz JQNXTZYXKKVTDP-MRVPVSSYSA-N 0 1 237.221 2.337 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@H]1O)c1cc(F)ccc1F ZINC000393948302 388447461 /nfs/dbraw/zinc/44/74/61/388447461.db2.gz UPSQRVSNQSHJHG-NZXMKCKXSA-N 0 1 227.254 2.139 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@@H]2C)oc1C ZINC000335589808 388452130 /nfs/dbraw/zinc/45/21/30/388452130.db2.gz CGQGEWIHYXREBI-OIBJUYFYSA-N 0 1 226.345 2.133 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1cccc(F)c1F ZINC000335711508 388454021 /nfs/dbraw/zinc/45/40/21/388454021.db2.gz HAUUSZJNVPEKIB-MWLCHTKSSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1cccc(F)c1F ZINC000335711506 388454039 /nfs/dbraw/zinc/45/40/39/388454039.db2.gz HAUUSZJNVPEKIB-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1OCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000336318626 388456014 /nfs/dbraw/zinc/45/60/14/388456014.db2.gz LTIWOBSXFOORLV-BXKDBHETSA-N 0 1 218.300 2.160 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CC1(C)CCC1 ZINC000336687907 388462426 /nfs/dbraw/zinc/46/24/26/388462426.db2.gz VKKFKUXRZMYBIL-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)(CF)NCc1cncc(F)c1 ZINC000336695103 388463926 /nfs/dbraw/zinc/46/39/26/388463926.db2.gz SHXSVYUCPBOUIY-UHFFFAOYSA-N 0 1 200.232 2.058 20 0 BEADMN CC[C@@H](C)CNC(C)(C)c1nc(C)no1 ZINC000336722338 388469090 /nfs/dbraw/zinc/46/90/90/388469090.db2.gz DWMAWXRPDBGMIS-MRVPVSSYSA-N 0 1 211.309 2.249 20 0 BEADMN Cc1nc(CNC(C)(C)c2cccs2)n[nH]1 ZINC000336722084 388469375 /nfs/dbraw/zinc/46/93/75/388469375.db2.gz DROOVEBZWKNJEH-UHFFFAOYSA-N 0 1 236.344 2.200 20 0 BEADMN FC(F)O[C@@H]1CCC[C@H]1NCc1nccs1 ZINC000337310345 388471902 /nfs/dbraw/zinc/47/19/02/388471902.db2.gz UNOBPJLAFAQXKK-HTQZYQBOSA-N 0 1 248.298 2.393 20 0 BEADMN C[C@@H](C1CC1)N(Cc1nccn1C)C1CC1 ZINC000195514513 388476084 /nfs/dbraw/zinc/47/60/84/388476084.db2.gz JTWVKVLCGWQUSK-JTQLQIEISA-N 0 1 219.332 2.183 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)C1CC1 ZINC000134318355 388476236 /nfs/dbraw/zinc/47/62/36/388476236.db2.gz TXYCLCVOYQQISA-SSDOTTSWSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)C1CC1 ZINC000134318355 388476238 /nfs/dbraw/zinc/47/62/38/388476238.db2.gz TXYCLCVOYQQISA-SSDOTTSWSA-N 0 1 202.261 2.168 20 0 BEADMN FC1(F)CCCC[C@@H]1CNCc1cc[nH]n1 ZINC000295120671 388409041 /nfs/dbraw/zinc/40/90/41/388409041.db2.gz NDEJWNMMRZTQEO-SECBINFHSA-N 0 1 229.274 2.325 20 0 BEADMN Cc1cnccc1CN[C@@H](CO)c1ccccc1 ZINC000295275548 388409930 /nfs/dbraw/zinc/40/99/30/388409930.db2.gz WAYFFTAKJWQKOZ-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN COc1cc(F)cc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000295352126 388411383 /nfs/dbraw/zinc/41/13/83/388411383.db2.gz IRHBZWCENHDYAM-SECBINFHSA-N 0 1 249.289 2.408 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1[C@H](C)C[C@H]1C ZINC000573055870 388413423 /nfs/dbraw/zinc/41/34/23/388413423.db2.gz UBWWZXXAHQNENQ-UTUOFQBUSA-N 0 1 227.348 2.447 20 0 BEADMN CSC[C@H](C)NCc1ncc(C)s1 ZINC000295806086 388414693 /nfs/dbraw/zinc/41/46/93/388414693.db2.gz SZECADYKRHXLTH-ZETCQYMHSA-N 0 1 216.375 2.293 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000173243439 388415525 /nfs/dbraw/zinc/41/55/25/388415525.db2.gz RPZGRKVOEIGDHI-AWEZNQCLSA-N 0 1 249.358 2.381 20 0 BEADMN CCOC(=O)CN(CC)CCCC(C)C ZINC000166034901 388415684 /nfs/dbraw/zinc/41/56/84/388415684.db2.gz NNQRZZGQMUISPH-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CC[C@@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000166410462 388426110 /nfs/dbraw/zinc/42/61/10/388426110.db2.gz QHPUHSDHIXEWDB-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@H](CC1CC1)NCc1nn(C)cc1Cl ZINC000393426973 388429237 /nfs/dbraw/zinc/42/92/37/388429237.db2.gz PDDSZQXHGRBQGM-MRVPVSSYSA-N 0 1 227.739 2.352 20 0 BEADMN COc1ccc(CNC2(CF)CCC2)cn1 ZINC000573247839 388435882 /nfs/dbraw/zinc/43/58/82/388435882.db2.gz PVLJTZZSMWNNLO-UHFFFAOYSA-N 0 1 224.279 2.072 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)[nH]n1 ZINC000246164921 388438739 /nfs/dbraw/zinc/43/87/39/388438739.db2.gz JYAKBGZREMREHQ-OPQQBVKSSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1ncc(CN[C@@H]2CCCc3occc32)n1C ZINC000517395633 388550407 /nfs/dbraw/zinc/55/04/07/388550407.db2.gz LOMYBZIMMWAKOS-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN C/C(Cl)=C/CN1CCC[C@H](n2ccnn2)C1 ZINC000528525908 388544302 /nfs/dbraw/zinc/54/43/02/388544302.db2.gz MJRNKSFBUPVMAC-FGUAACIASA-N 0 1 240.738 2.058 20 0 BEADMN CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000517240988 388544344 /nfs/dbraw/zinc/54/43/44/388544344.db2.gz ODTKMGWCQXOGFO-AAEUAGOBSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc2cc[nH]c21 ZINC000547817203 388488107 /nfs/dbraw/zinc/48/81/07/388488107.db2.gz MYLHGKFDINUICG-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CCN(C(=O)c1cc(C2CC2)[nH]n1)C(C)C ZINC000194415983 388490865 /nfs/dbraw/zinc/49/08/65/388490865.db2.gz ICEYTYQYQYLONZ-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C1CCCC1 ZINC000547837045 388491749 /nfs/dbraw/zinc/49/17/49/388491749.db2.gz XJIJBEWEEBYYCQ-PWSUYJOCSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)CN(C)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000646776063 388497323 /nfs/dbraw/zinc/49/73/23/388497323.db2.gz FYAOQGLHKHUHDR-CMPLNLGQSA-N 0 1 249.358 2.190 20 0 BEADMN C[C@@H](CCO)CCNCc1ncc(Cl)s1 ZINC000397806952 388501298 /nfs/dbraw/zinc/50/12/98/388501298.db2.gz YAMZTXNVPRJAGA-MRVPVSSYSA-N 0 1 248.779 2.295 20 0 BEADMN CO[C@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528373917 388503420 /nfs/dbraw/zinc/50/34/20/388503420.db2.gz SWLWBDPGABYWPU-CYNRKNSPSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1nc([C@H](C)Nc2cc(C(C)C)ncn2)n[nH]1 ZINC000343945741 388504075 /nfs/dbraw/zinc/50/40/75/388504075.db2.gz FZLMRPWKPRONBD-QMMMGPOBSA-N 0 1 246.318 2.200 20 0 BEADMN CC1(C)CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000517381080 388549315 /nfs/dbraw/zinc/54/93/15/388549315.db2.gz ISGRHEGFHQPLBX-GFCCVEGCSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@]2(C)CCCO2)cs1 ZINC000378800022 388508596 /nfs/dbraw/zinc/50/85/96/388508596.db2.gz TZMRTZIGBIZIGW-BXKDBHETSA-N 0 1 240.372 2.499 20 0 BEADMN CCC[C@@H](CNCc1nccs1)OC ZINC000378811942 388511371 /nfs/dbraw/zinc/51/13/71/388511371.db2.gz ZOLOOZNPYCFSAN-VIFPVBQESA-N 0 1 214.334 2.048 20 0 BEADMN C/C(Cl)=C\CN1CC[C@H](n2cccn2)C1 ZINC000528511472 388511672 /nfs/dbraw/zinc/51/16/72/388511672.db2.gz USIJICMFYDDOIQ-LFJXOHPOSA-N 0 1 225.723 2.273 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CCOC2(C)C)c2nccn21 ZINC000345346188 388511983 /nfs/dbraw/zinc/51/19/83/388511983.db2.gz CRQNCFNYNLDJBN-GMTAPVOTSA-N 0 1 235.331 2.046 20 0 BEADMN Cc1nccc(NC[C@H]2CC[C@@H](C)O2)c1Cl ZINC000398053033 388516787 /nfs/dbraw/zinc/51/67/87/388516787.db2.gz GNODTJKJWKNGHM-PSASIEDQSA-N 0 1 240.734 2.445 20 0 BEADMN CCCCN(CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000520835031 388519658 /nfs/dbraw/zinc/51/96/58/388519658.db2.gz VTWIYXSZBFLKHN-LLVKDONJSA-N 0 1 237.347 2.237 20 0 BEADMN CN(Cc1nccn1C)CC1CC(C)(C)C1 ZINC000528425235 388521819 /nfs/dbraw/zinc/52/18/19/388521819.db2.gz NLFWHBQZAKJXHO-UHFFFAOYSA-N 0 1 221.348 2.288 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1nc2ccccc2o1 ZINC000516875221 388522669 /nfs/dbraw/zinc/52/26/69/388522669.db2.gz IOGZREWSMFLZJS-RYUDHWBXSA-N 0 1 246.310 2.077 20 0 BEADMN Cn1cnnc1CNCCCC1CCCCC1 ZINC000347913519 388524769 /nfs/dbraw/zinc/52/47/69/388524769.db2.gz AFEVQCRBFYRDGA-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCOC2)oc1C ZINC000348141047 388526042 /nfs/dbraw/zinc/52/60/42/388526042.db2.gz KZINLYAGDZDULX-ZYHUDNBSSA-N 0 1 238.331 2.196 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ncccc1Cl ZINC000528448209 388527314 /nfs/dbraw/zinc/52/73/14/388527314.db2.gz IVUGUPQRCYCGIB-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@]1(O)CCN(Cc2ncccc2Cl)C1 ZINC000528467254 388531499 /nfs/dbraw/zinc/53/14/99/388531499.db2.gz YWYFTKNTFYECBN-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CC(C)[C@@H]1CCCN(c2ccncc2C(N)=O)C1 ZINC000548365341 388531854 /nfs/dbraw/zinc/53/18/54/388531854.db2.gz VBCCFOVCIFAAKP-LLVKDONJSA-N 0 1 247.342 2.053 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1ncccc1Cl ZINC000528475949 388532080 /nfs/dbraw/zinc/53/20/80/388532080.db2.gz LSBKJXWTSWRABM-BXKDBHETSA-N 0 1 240.734 2.392 20 0 BEADMN C/C(Cl)=C\CN1CC[C@H](O)C(C)(C)C1 ZINC000528478706 388532323 /nfs/dbraw/zinc/53/23/23/388532323.db2.gz ZPUPAPHYOWDEIX-LLGDCAAFSA-N 0 1 217.740 2.222 20 0 BEADMN C/C(Cl)=C/CN1CC[C@H](c2nc(C)no2)C1 ZINC000528505705 388536250 /nfs/dbraw/zinc/53/62/50/388536250.db2.gz YRJGBMYNQPEKOI-GJQXAKHRSA-N 0 1 241.722 2.310 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@H]2C)c(C)o1 ZINC000548424431 388536217 /nfs/dbraw/zinc/53/62/17/388536217.db2.gz HFIWQUKDNHUAKF-RKDXNWHRSA-N 0 1 237.299 2.357 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cccc(OC)c1F ZINC000379126014 388587904 /nfs/dbraw/zinc/58/79/04/388587904.db2.gz YMOKCTMXYIDFAZ-NSHDSACASA-N 0 1 241.306 2.037 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC(=O)N(C)C1CC1 ZINC000138292475 388591510 /nfs/dbraw/zinc/59/15/10/388591510.db2.gz WUYSEGKTDHUYPN-GFCCVEGCSA-N 0 1 246.354 2.300 20 0 BEADMN CCO[C@@H](CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000521581373 388617490 /nfs/dbraw/zinc/61/74/90/388617490.db2.gz MFVPXRHHYROFEV-LBPRGKRZSA-N 0 1 247.298 2.317 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1[C@H]1C=CCCC1 ZINC000530166125 388617754 /nfs/dbraw/zinc/61/77/54/388617754.db2.gz KHYNLFQCENQPRB-GXFFZTMASA-N 0 1 247.294 2.372 20 0 BEADMN C[C@@H]1CCN(CN2CC(C)(C)OC2=O)C[C@H]1C ZINC000245744894 388602354 /nfs/dbraw/zinc/60/23/54/388602354.db2.gz MPRGXZNCOPYKDU-GHMZBOCLSA-N 0 1 240.347 2.153 20 0 BEADMN CCO[C@H](CC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000521581372 388617933 /nfs/dbraw/zinc/61/79/33/388617933.db2.gz MFVPXRHHYROFEV-GFCCVEGCSA-N 0 1 247.298 2.317 20 0 BEADMN O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccoc1 ZINC000530026944 388605758 /nfs/dbraw/zinc/60/57/58/388605758.db2.gz DYLGMDNYYDSDMV-CYBMUJFWSA-N 0 1 248.326 2.026 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CCO[C@H]2C)n1 ZINC000245941621 388611764 /nfs/dbraw/zinc/61/17/64/388611764.db2.gz MNZSOPKPKFPCPF-GUBZILKMSA-N 0 1 226.345 2.280 20 0 BEADMN Cc1noc(C23CC(C2)CN3CC2CCCC2)n1 ZINC000528623757 388552018 /nfs/dbraw/zinc/55/20/18/388552018.db2.gz RJJOWGRPVINFNJ-UHFFFAOYSA-N 0 1 247.342 2.489 20 0 BEADMN Cc1noc(C23CC(C2)CN3CC2CCC2)n1 ZINC000528620476 388552216 /nfs/dbraw/zinc/55/22/16/388552216.db2.gz YKKXTBGVTZKJMM-UHFFFAOYSA-N 0 1 233.315 2.099 20 0 BEADMN c1ncc(CN[C@@H](c2ccccn2)C2CCC2)[nH]1 ZINC000528656763 388555990 /nfs/dbraw/zinc/55/59/90/388555990.db2.gz HHPWRSSPVYBUKT-CQSZACIVSA-N 0 1 242.326 2.436 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000548754361 388557082 /nfs/dbraw/zinc/55/70/82/388557082.db2.gz ZWNOHQKKWXFCNN-TUAOUCFPSA-N 0 1 226.364 2.164 20 0 BEADMN CO[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000362977751 388563049 /nfs/dbraw/zinc/56/30/49/388563049.db2.gz UIMCAZJEMZMLPU-IJLUTSLNSA-N 0 1 237.347 2.150 20 0 BEADMN CCN(CC(=O)N1CCC1)Cc1ccc(C)cc1 ZINC000521221671 388565257 /nfs/dbraw/zinc/56/52/57/388565257.db2.gz RETAQRJJHGGUCK-UHFFFAOYSA-N 0 1 246.354 2.049 20 0 BEADMN Cc1nc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(C)o1 ZINC000528758511 388567854 /nfs/dbraw/zinc/56/78/54/388567854.db2.gz JOQYOZYVJPCKCZ-JZSPKSLRSA-N 0 1 238.331 2.193 20 0 BEADMN C[C@H](NC[C@@H](O)C(C)(C)C)c1ncccc1F ZINC000528822214 388576827 /nfs/dbraw/zinc/57/68/27/388576827.db2.gz AOMKLWUFKJFQTL-GXSJLCMTSA-N 0 1 240.322 2.278 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000247969422 388672074 /nfs/dbraw/zinc/67/20/74/388672074.db2.gz FHNVYECIQIQQQL-CHWSQXEVSA-N 0 1 227.348 2.056 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000522050991 388677144 /nfs/dbraw/zinc/67/71/44/388677144.db2.gz ZWXDYYDJAUKZNV-JTQLQIEISA-N 0 1 249.358 2.380 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000530166742 388619425 /nfs/dbraw/zinc/61/94/25/388619425.db2.gz UBEOHSSHSIMFRZ-SECBINFHSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC1CC(C)(C)C1 ZINC000530167077 388619559 /nfs/dbraw/zinc/61/95/59/388619559.db2.gz XSJAHJUCPXMROW-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@@]1(C)CCCO1 ZINC000551086409 388621723 /nfs/dbraw/zinc/62/17/23/388621723.db2.gz SDWOZUQDRVPGGH-GXFFZTMASA-N 0 1 238.306 2.268 20 0 BEADMN COC1(CNCc2nc(C)c(C)[nH]2)CCCC1 ZINC000521669047 388624404 /nfs/dbraw/zinc/62/44/04/388624404.db2.gz RXRQNZUYCZAAEI-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C)nc1C ZINC000521865967 388636384 /nfs/dbraw/zinc/63/63/84/388636384.db2.gz PUGGLSDXMBGRGM-HNNXBMFYSA-N 0 1 247.386 2.224 20 0 BEADMN C[C@@H](N[C@@H](C)c1cncs1)c1cn[nH]c1 ZINC000222519070 388639376 /nfs/dbraw/zinc/63/93/76/388639376.db2.gz DXZRMRYBTYYFBT-SFYZADRCSA-N 0 1 222.317 2.278 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000521886765 388639815 /nfs/dbraw/zinc/63/98/15/388639815.db2.gz KWFBHMRTTJQFQH-AXFHLTTASA-N 0 1 225.332 2.074 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000521886711 388640032 /nfs/dbraw/zinc/64/00/32/388640032.db2.gz IDVRZDUVXIDZPT-CYBMUJFWSA-N 0 1 233.311 2.024 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000246643004 388647434 /nfs/dbraw/zinc/64/74/34/388647434.db2.gz HVFRVNKFBPDRTQ-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(CC)N(Cc1nccc(N)n1)C1CC1 ZINC000564384152 388647893 /nfs/dbraw/zinc/64/78/93/388647893.db2.gz IPPLZWYKAUXNAT-UHFFFAOYSA-N 0 1 234.347 2.042 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000083854620 388648542 /nfs/dbraw/zinc/64/85/42/388648542.db2.gz QEKOIKLFXHSWCT-PHIMTYICSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000246671145 388648959 /nfs/dbraw/zinc/64/89/59/388648959.db2.gz XDSMWFVRBHWZIZ-AXFHLTTASA-N 0 1 247.342 2.229 20 0 BEADMN CCc1nocc1CN(C)CC(C)(C)OC ZINC000551965671 388650257 /nfs/dbraw/zinc/65/02/57/388650257.db2.gz GUAITBXFFZHVJN-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN CC(C)C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000307805034 388652437 /nfs/dbraw/zinc/65/24/37/388652437.db2.gz FMFPPTUNFHOBJG-JQWIXIFHSA-N 0 1 225.332 2.218 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCC[C@H](C)C1 ZINC000092795342 388737072 /nfs/dbraw/zinc/73/70/72/388737072.db2.gz VINGPGKSMCRQGJ-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN CN(CCC(C)(C)C)C(=O)CCc1cnc[nH]1 ZINC000649027965 388739949 /nfs/dbraw/zinc/73/99/49/388739949.db2.gz GWMRZIMBEVPFEN-UHFFFAOYSA-N 0 1 237.347 2.237 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2ccoc2)n[nH]1 ZINC000539063365 388745973 /nfs/dbraw/zinc/74/59/73/388745973.db2.gz BPZMXGVDYRDHQB-RKDXNWHRSA-N 0 1 234.303 2.372 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](c1cccnc1)C1CC1 ZINC000538420291 388690300 /nfs/dbraw/zinc/69/03/00/388690300.db2.gz LENZZHLKXVZHTP-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000248899497 388698695 /nfs/dbraw/zinc/69/86/95/388698695.db2.gz PNXAHVJMGBRSIF-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCN(Cc2ncccn2)C[C@@H](C)C1 ZINC000248911071 388698751 /nfs/dbraw/zinc/69/87/51/388698751.db2.gz YBVQZHHHMWAQRX-NEPJUHHUSA-N 0 1 219.332 2.345 20 0 BEADMN CCc1nocc1CN(C)CC1(C)CC1 ZINC000552381643 388700238 /nfs/dbraw/zinc/70/02/38/388700238.db2.gz YMHGHVZXTAAWHQ-UHFFFAOYSA-N 0 1 208.305 2.469 20 0 BEADMN C[C@@H](N(C)C(=O)c1coc(CN)c1)C(C)(C)C ZINC000564207516 388704650 /nfs/dbraw/zinc/70/46/50/388704650.db2.gz NMPQDDMYFGZIDD-SECBINFHSA-N 0 1 238.331 2.245 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H]([C@@H](C)O)C2)o1 ZINC000552437796 388708777 /nfs/dbraw/zinc/70/87/77/388708777.db2.gz VNUJCCFMEMHJNB-TUAOUCFPSA-N 0 1 238.331 2.137 20 0 BEADMN c1nc(CN2CCC[C@@H]3CCC[C@H]32)co1 ZINC000249244193 388713425 /nfs/dbraw/zinc/71/34/25/388713425.db2.gz DMZIODLPKAKANM-CMPLNLGQSA-N 0 1 206.289 2.439 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@@H]1C ZINC000066415188 388717064 /nfs/dbraw/zinc/71/70/64/388717064.db2.gz OHOKNBYIGIAJOZ-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN COCCCN(C)Cc1cn2c(cccc2C)n1 ZINC000066378574 388717102 /nfs/dbraw/zinc/71/71/02/388717102.db2.gz BDXUWHKWWSNMSN-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000066560471 388720185 /nfs/dbraw/zinc/72/01/85/388720185.db2.gz VAUFQUFDAQDARR-CQSZACIVSA-N 0 1 246.354 2.260 20 0 BEADMN CC(C)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1 ZINC000066560471 388720187 /nfs/dbraw/zinc/72/01/87/388720187.db2.gz VAUFQUFDAQDARR-CQSZACIVSA-N 0 1 246.354 2.260 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@](C)(O)C2)ccc1C ZINC000193989650 388721011 /nfs/dbraw/zinc/72/10/11/388721011.db2.gz MMOQESFLZSVJGC-HNNXBMFYSA-N 0 1 249.354 2.350 20 0 BEADMN C[C@@]1(O)CCN(Cc2cc(Cl)cs2)C1 ZINC000194427416 388732871 /nfs/dbraw/zinc/73/28/71/388732871.db2.gz SJHUYZZKFDESKX-SNVBAGLBSA-N 0 1 231.748 2.358 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)CC(C)(C)O1 ZINC000194505289 388805919 /nfs/dbraw/zinc/80/59/19/388805919.db2.gz HXZLSYPCHTYGMS-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]1Cc1ccc(CO)o1 ZINC000540502259 388807313 /nfs/dbraw/zinc/80/73/13/388807313.db2.gz GKXRAFPRUFFFNE-LBPRGKRZSA-N 0 1 209.289 2.002 20 0 BEADMN CC(C)[C@H]1CC[N@H+]1Cc1ccc(CO)o1 ZINC000540502256 388808281 /nfs/dbraw/zinc/80/82/81/388808281.db2.gz GKXRAFPRUFFFNE-GFCCVEGCSA-N 0 1 209.289 2.002 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCC(C(C)C)CC1 ZINC000227840226 388760216 /nfs/dbraw/zinc/76/02/16/388760216.db2.gz SGOOJWGSEHNIBD-ZDUSSCGKSA-N 0 1 239.359 2.306 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1F ZINC000229260229 388783607 /nfs/dbraw/zinc/78/36/07/388783607.db2.gz BQMKDBKEMWHKRO-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000229296538 388785751 /nfs/dbraw/zinc/78/57/51/388785751.db2.gz LHRZGQAGXOFXPP-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1csc(CN(C)C[C@H]2CCC[C@@H]2O)n1 ZINC000270059167 388789851 /nfs/dbraw/zinc/78/98/51/388789851.db2.gz GTLXCPPRNLJNJS-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@@H]1CN(C)CCN1c1nc2ccccc2o1 ZINC000555240819 388844027 /nfs/dbraw/zinc/84/40/27/388844027.db2.gz PENMCBOGAOGHSL-LLVKDONJSA-N 0 1 245.326 2.358 20 0 BEADMN CCOC(=O)[C@H](C)N(CC)CC1CCC1 ZINC000230322383 388824533 /nfs/dbraw/zinc/82/45/33/388824533.db2.gz ATMKRRFLUMTHKD-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C/C=C/Cl ZINC000231627089 388838031 /nfs/dbraw/zinc/83/80/31/388838031.db2.gz PZBOHUYMSJEYRA-FBFJJQQKSA-N 0 1 243.734 2.457 20 0 BEADMN C[C@@H](CNCc1nccc2ccccc21)[NH+](C)C ZINC000648770803 388859241 /nfs/dbraw/zinc/85/92/41/388859241.db2.gz VBKIHZFCDTUNCB-LBPRGKRZSA-N 0 1 243.354 2.275 20 0 BEADMN CCc1cccnc1[C@H](C)NC1(COC)CC1 ZINC000541882407 388872523 /nfs/dbraw/zinc/87/25/23/388872523.db2.gz ODRGRBQMOYMTDE-NSHDSACASA-N 0 1 234.343 2.474 20 0 BEADMN Cc1cc(OCC(=O)NC2CCCC2)cc(C)n1 ZINC000152797881 388882943 /nfs/dbraw/zinc/88/29/43/388882943.db2.gz ZCDMBYPYUBILRD-UHFFFAOYSA-N 0 1 248.326 2.136 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000564804425 388890120 /nfs/dbraw/zinc/89/01/20/388890120.db2.gz XBFMKWAUQUYAHH-VIFPVBQESA-N 0 1 223.316 2.114 20 0 BEADMN C[C@H](C1CC1)[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000564804424 388890658 /nfs/dbraw/zinc/89/06/58/388890658.db2.gz XBFMKWAUQUYAHH-SECBINFHSA-N 0 1 223.316 2.114 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2ccn[nH]2)CC12CC=CC2 ZINC000649143960 388876688 /nfs/dbraw/zinc/87/66/88/388876688.db2.gz LINFAVWUCHZEJQ-LBPRGKRZSA-N 0 1 245.326 2.227 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CC1(C)C ZINC000565107582 388914729 /nfs/dbraw/zinc/91/47/29/388914729.db2.gz QCTBNILDLYVLRQ-NSHDSACASA-N 0 1 234.299 2.010 20 0 BEADMN CCC[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000565111055 388915805 /nfs/dbraw/zinc/91/58/05/388915805.db2.gz HMHKBNACOWJYHM-AWEZNQCLSA-N 0 1 233.311 2.125 20 0 BEADMN CC1(C)CCC(CN2CCn3nncc3C2)CC1 ZINC000565170107 388919922 /nfs/dbraw/zinc/91/99/22/388919922.db2.gz HJIOMAXRBJJSGZ-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN COCCCCN1CCC(=O)CC12CCC2 ZINC000565173355 388922020 /nfs/dbraw/zinc/92/20/20/388922020.db2.gz TVAVYKBWZFFDOJ-UHFFFAOYSA-N 0 1 225.332 2.001 20 0 BEADMN CO[C@H](CNCc1nc(C)c(C)[nH]1)C(C)(C)C ZINC000565242314 388931460 /nfs/dbraw/zinc/93/14/60/388931460.db2.gz NCDDQNHXZDQDPC-LLVKDONJSA-N 0 1 239.363 2.177 20 0 BEADMN CC[C@H]1C[N@H+](C)CCN1Cc1cccs1 ZINC000565263681 388933520 /nfs/dbraw/zinc/93/35/20/388933520.db2.gz ZJWBNUAMFRPPAQ-NSHDSACASA-N 0 1 224.373 2.274 20 0 BEADMN CC(C)[N@H+](Cc1ccc(Cl)cn1)C[C@@H](C)O ZINC000305822634 388959686 /nfs/dbraw/zinc/95/96/86/388959686.db2.gz RDXBAFOEAFRJIY-SNVBAGLBSA-N 0 1 242.750 2.326 20 0 BEADMN CC[C@H](F)C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000565672688 388961669 /nfs/dbraw/zinc/96/16/69/388961669.db2.gz XYQMDDXMRVDJQI-IUCAKERBSA-N 0 1 217.284 2.062 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000153121401 388942238 /nfs/dbraw/zinc/94/22/38/388942238.db2.gz NJDKKMYCYNATEG-PHIMTYICSA-N 0 1 235.331 2.425 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(F)cc(OC)c1 ZINC000565579195 388956243 /nfs/dbraw/zinc/95/62/43/388956243.db2.gz WZRHJCKYUSJJBT-CHWSQXEVSA-N 0 1 239.290 2.101 20 0 BEADMN CCN(CCC1CC1)[C@H](C)c1nccc(N)n1 ZINC000565900123 388978364 /nfs/dbraw/zinc/97/83/64/388978364.db2.gz NWNYIGYUONRVAX-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN CC[N@@H+](CCC1CC1)[C@H](C)c1nccc(N)n1 ZINC000565900123 388978362 /nfs/dbraw/zinc/97/83/62/388978362.db2.gz NWNYIGYUONRVAX-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2CO[C@@H](C)C2)n1 ZINC000566009296 388983042 /nfs/dbraw/zinc/98/30/42/388983042.db2.gz MNXVCQGWGRIZOC-AEJSXWLSSA-N 0 1 239.319 2.008 20 0 BEADMN CO[C@@H](CNCc1nc(C)cs1)C(C)C ZINC000266609336 388996536 /nfs/dbraw/zinc/99/65/36/388996536.db2.gz HIQDDTWVBNJPDE-JTQLQIEISA-N 0 1 228.361 2.212 20 0 BEADMN Cc1ccc([C@@H](C)NCc2cnnn2C)cc1C ZINC000267512348 389000305 /nfs/dbraw/zinc/00/03/05/389000305.db2.gz KKMIAQHKQKWECC-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(C)c(CNCc2cnnn2C)c(C)c1 ZINC000267536218 389001046 /nfs/dbraw/zinc/00/10/46/389001046.db2.gz VPJJYHNPQHDHEP-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN c1nc(CN[C@@H]2CCc3ccccc3C2)co1 ZINC000272144344 389029587 /nfs/dbraw/zinc/02/95/87/389029587.db2.gz NBLNGBSZBUMIHX-CYBMUJFWSA-N 0 1 228.295 2.322 20 0 BEADMN CC[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000271279279 389019583 /nfs/dbraw/zinc/01/95/83/389019583.db2.gz LPCIXWDZWBZHQJ-GWCFXTLKSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)CCO2 ZINC000271762710 389023173 /nfs/dbraw/zinc/02/31/73/389023173.db2.gz DAOOROVHPJLGNS-VIFPVBQESA-N 0 1 209.264 2.242 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2nccs2)C1(C)C ZINC000271898384 389025214 /nfs/dbraw/zinc/02/52/14/389025214.db2.gz UUZHMNSGZIXZSA-INTQDDNPSA-N 0 1 240.372 2.292 20 0 BEADMN CCN(CC(F)F)C(=O)c1c(O)cccc1F ZINC000274583817 389046202 /nfs/dbraw/zinc/04/62/02/389046202.db2.gz BAOVQQJOEBBSFQ-UHFFFAOYSA-N 0 1 247.216 2.259 20 0 BEADMN C[C@H](NCCF)c1ccc([S@](C)=O)cc1 ZINC000273059324 389038290 /nfs/dbraw/zinc/03/82/90/389038290.db2.gz ZTARUXYVNHKRNL-VFZGTOFNSA-N 0 1 229.320 2.044 20 0 BEADMN CCSCCNc1ccc2nn[nH]c2c1 ZINC000273793755 389045190 /nfs/dbraw/zinc/04/51/90/389045190.db2.gz UUCRVJLHRBAQAU-UHFFFAOYSA-N 0 1 222.317 2.123 20 0 BEADMN CCSCCNc1ccc2n[nH]nc2c1 ZINC000273793755 389045193 /nfs/dbraw/zinc/04/51/93/389045193.db2.gz UUCRVJLHRBAQAU-UHFFFAOYSA-N 0 1 222.317 2.123 20 0 BEADMN Cc1ccc(C(=O)Nc2ccc3cncn3c2)o1 ZINC001645629635 1172682725 /nfs/dbraw/zinc/68/27/25/1172682725.db2.gz RWMNHKGZCPJZJT-UHFFFAOYSA-N 0 1 241.250 2.488 20 0 BEADMN C[C@@H](N[C@@H]1CCOC[C@H]1C)C(C)(F)F ZINC000307548412 533525304 /nfs/dbraw/zinc/52/53/04/533525304.db2.gz OBJYNYRFYIKZTA-IWSPIJDZSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)CC2)nn1C ZINC000494152925 533621223 /nfs/dbraw/zinc/62/12/23/533621223.db2.gz NQXNYKRDJXCUHQ-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CC(C)=CCN1CCN(c2ccc(F)cn2)CC1 ZINC000367753312 132282292 /nfs/dbraw/zinc/28/22/92/132282292.db2.gz ZBKVPLZHEZHTDN-UHFFFAOYSA-N 0 1 249.333 2.309 20 0 BEADMN FCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000034511252 132336724 /nfs/dbraw/zinc/33/67/24/132336724.db2.gz PWPSVNMZWHJVCE-UHFFFAOYSA-N 0 1 240.297 2.307 20 0 BEADMN Cc1nccc(N2CCC(CO)CC2)c1Cl ZINC000309309469 132365815 /nfs/dbraw/zinc/36/58/15/132365815.db2.gz ZZHPWDPYXBQISO-UHFFFAOYSA-N 0 1 240.734 2.252 20 0 BEADMN Cc1nccc(N2CC[C@@H](C)[C@@H](O)C2)c1Cl ZINC000309390587 132390066 /nfs/dbraw/zinc/39/00/66/132390066.db2.gz SENBWWDGLYFXKR-KCJUWKMLSA-N 0 1 240.734 2.251 20 0 BEADMN c1ccc2c(c1)nccc2N1CCO[C@@H]2C[C@@H]21 ZINC000368646214 132448470 /nfs/dbraw/zinc/44/84/70/132448470.db2.gz UMWHDXOJSCLQKN-UONOGXRCSA-N 0 1 226.279 2.212 20 0 BEADMN CC(C)Cc1nc([C@H](N)CC(C)C)no1 ZINC000074148159 133479751 /nfs/dbraw/zinc/47/97/51/133479751.db2.gz IMBLYTYPXCINTO-SECBINFHSA-N 0 1 211.309 2.314 20 0 BEADMN Cn1c(CN2CC[C@@H]3CCC[C@H]32)nnc1C1CC1 ZINC000334240635 133591959 /nfs/dbraw/zinc/59/19/59/133591959.db2.gz MHRDWTDQNGMOHY-CMPLNLGQSA-N 0 1 246.358 2.067 20 0 BEADMN COc1cc([C@@H](C)NCc2ccncc2)ccn1 ZINC000347557734 133840862 /nfs/dbraw/zinc/84/08/62/133840862.db2.gz OKFYFVSDVYMHEO-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN CSCC[C@@H](CO)NCc1ccc(Cl)o1 ZINC000166768488 133960372 /nfs/dbraw/zinc/96/03/72/133960372.db2.gz FDFFAEOHSLFPRV-QMMMGPOBSA-N 0 1 249.763 2.137 20 0 BEADMN C[C@@H]1CN(c2ccnc3cc(F)ccc32)C[C@@H]1O ZINC000351507407 133972722 /nfs/dbraw/zinc/97/27/22/133972722.db2.gz YOEATEKVIXTNCJ-OTYXRUKQSA-N 0 1 246.285 2.191 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1ccccc1C ZINC000335921213 134007101 /nfs/dbraw/zinc/00/71/01/134007101.db2.gz XSDPFRAQRCLHSQ-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN CCCN1CCOc2cc(OC)ccc2C1 ZINC000335925882 134008537 /nfs/dbraw/zinc/00/85/37/134008537.db2.gz HNZAUOBGBBSJEQ-UHFFFAOYSA-N 0 1 221.300 2.300 20 0 BEADMN C[C@H](NC1CCOCC1)c1c(F)cncc1F ZINC000335945743 134020000 /nfs/dbraw/zinc/02/00/00/134020000.db2.gz UMDLLIDJJAOTCZ-QMMMGPOBSA-N 0 1 242.269 2.189 20 0 BEADMN C[C@H](c1nncn1C)[N@H+]1CCCCC(C)(C)C1 ZINC000335959388 134024082 /nfs/dbraw/zinc/02/40/82/134024082.db2.gz UOKOSAQRNDYEIK-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN C[C@H](c1nncn1C)N1CCCCC(C)(C)C1 ZINC000335959388 134024083 /nfs/dbraw/zinc/02/40/83/134024083.db2.gz UOKOSAQRNDYEIK-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000335980466 134037162 /nfs/dbraw/zinc/03/71/62/134037162.db2.gz ZADLZVUULIOMIE-MFKMUULPSA-N 0 1 233.315 2.062 20 0 BEADMN O=C(N[C@@H]1CCC[C@@H]1F)c1cccc2nc[nH]c21 ZINC000335988543 134039297 /nfs/dbraw/zinc/03/92/97/134039297.db2.gz FQKZJOJCSQCUFC-VHSXEESVSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)n[nH]1 ZINC000335994233 134041671 /nfs/dbraw/zinc/04/16/71/134041671.db2.gz IXMDDJQFFIHDTO-JTQLQIEISA-N 0 1 235.331 2.226 20 0 BEADMN Cc1ccc(CCN2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000335996142 134042362 /nfs/dbraw/zinc/04/23/62/134042362.db2.gz RMDFDWZYWDCGEA-AWEZNQCLSA-N 0 1 232.371 2.173 20 0 BEADMN CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000335999505 134043729 /nfs/dbraw/zinc/04/37/29/134043729.db2.gz CSZBTIWLNPRTDL-TXEJJXNPSA-N 0 1 234.347 2.091 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000335999505 134043730 /nfs/dbraw/zinc/04/37/30/134043730.db2.gz CSZBTIWLNPRTDL-TXEJJXNPSA-N 0 1 234.347 2.091 20 0 BEADMN CCc1ccc(CN2CC[C@H](O)C(C)(C)C2)cn1 ZINC000336000012 134044022 /nfs/dbraw/zinc/04/40/22/134044022.db2.gz HPXKEDTVKCCVLM-AWEZNQCLSA-N 0 1 248.370 2.237 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000336012108 134051632 /nfs/dbraw/zinc/05/16/32/134051632.db2.gz NPOFKJCFKDAVKD-CYBMUJFWSA-N 0 1 231.343 2.483 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000336012108 134051633 /nfs/dbraw/zinc/05/16/33/134051633.db2.gz NPOFKJCFKDAVKD-CYBMUJFWSA-N 0 1 231.343 2.483 20 0 BEADMN Cc1c[nH]nc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000336012108 134051635 /nfs/dbraw/zinc/05/16/35/134051635.db2.gz NPOFKJCFKDAVKD-CYBMUJFWSA-N 0 1 231.343 2.483 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000336034219 134059176 /nfs/dbraw/zinc/05/91/76/134059176.db2.gz IAYGQKILSIOFTL-AWEZNQCLSA-N 0 1 245.326 2.372 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cccc2[nH]cnc21 ZINC000336066252 134070624 /nfs/dbraw/zinc/07/06/24/134070624.db2.gz FZTRXIYDEHGEAC-IUCAKERBSA-N 0 1 229.283 2.186 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cccc2[nH]cnc21 ZINC000336066251 134070663 /nfs/dbraw/zinc/07/06/63/134070663.db2.gz FZTRXIYDEHGEAC-DTORHVGOSA-N 0 1 229.283 2.186 20 0 BEADMN CN(C(=O)c1ccn[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000336076502 134073443 /nfs/dbraw/zinc/07/34/43/134073443.db2.gz ZGQGREVCWLSISH-SECBINFHSA-N 0 1 221.304 2.060 20 0 BEADMN CC1CCN(CC(=O)NCCC2(C)CC2)CC1 ZINC000352119701 134074334 /nfs/dbraw/zinc/07/43/34/134074334.db2.gz GPOHCSUBBUADSL-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H]1C[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352124389 134074990 /nfs/dbraw/zinc/07/49/90/134074990.db2.gz XZLGTZZWZLCBRV-HTQZYQBOSA-N 0 1 227.254 2.416 20 0 BEADMN C[C@H]1CN(CCC2CCCC2)C[C@H](C)S1=O ZINC000336087142 134076789 /nfs/dbraw/zinc/07/67/89/134076789.db2.gz WCXIIKIFAOSTGJ-RYUDHWBXSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H]1CN(CC2CCCC2)C[C@H](C)[S@@]1=O ZINC000336088534 134077561 /nfs/dbraw/zinc/07/75/61/134077561.db2.gz JSMYKVPEVIXEJM-QHBPRCKVSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CC[C@](C)(O)C1 ZINC000336109819 134086111 /nfs/dbraw/zinc/08/61/11/134086111.db2.gz NYHJJVDFRNXWAW-ZDUSSCGKSA-N 0 1 238.331 2.063 20 0 BEADMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H]1CC1(C)C ZINC000336111309 134086623 /nfs/dbraw/zinc/08/66/23/134086623.db2.gz WYSIDJDEUQJANO-JOYOIKCWSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1CN(CC2(C)CCC2)C[C@H](C)[S@@]1=O ZINC000336138544 134096837 /nfs/dbraw/zinc/09/68/37/134096837.db2.gz ZBYSMGVPCXYNEC-QHBPRCKVSA-N 0 1 229.389 2.018 20 0 BEADMN Cn1nncc1CN1CCC(C(C)(C)C)CC1 ZINC000336142289 134101230 /nfs/dbraw/zinc/10/12/30/134101230.db2.gz XDJIXOPRLHWYMD-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(F)cc1O ZINC000336157961 134106490 /nfs/dbraw/zinc/10/64/90/134106490.db2.gz PVHCRCCIBIJGSE-HTQZYQBOSA-N 0 1 223.247 2.154 20 0 BEADMN CCN(Cc1nc2ccccc2o1)C[C@@H](C)O ZINC000352220358 134109236 /nfs/dbraw/zinc/10/92/36/134109236.db2.gz HTZXIEYHLSDZHF-SNVBAGLBSA-N 0 1 234.299 2.031 20 0 BEADMN Cc1cccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c1C ZINC000336161573 134111732 /nfs/dbraw/zinc/11/17/32/134111732.db2.gz ZGQVVTYMVSVJIS-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN Cc1cccc(CN2C[C@H](F)C[C@H]2CO)c1C ZINC000336161573 134111733 /nfs/dbraw/zinc/11/17/33/134111733.db2.gz ZGQVVTYMVSVJIS-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000336164258 134112265 /nfs/dbraw/zinc/11/22/65/134112265.db2.gz MCXBJQRDJORKMN-GHMZBOCLSA-N 0 1 219.332 2.263 20 0 BEADMN COC[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000352233175 134114078 /nfs/dbraw/zinc/11/40/78/134114078.db2.gz AOSFGSSHNXYENI-NSHDSACASA-N 0 1 246.310 2.296 20 0 BEADMN C[C@H]1CCN(Cc2cnns2)C[C@H](C)C1 ZINC000336193219 134124450 /nfs/dbraw/zinc/12/44/50/134124450.db2.gz KJOCIFXIAFMZOS-VHSXEESVSA-N 0 1 225.361 2.406 20 0 BEADMN C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C[C@@H](C)C1 ZINC000352284176 134134115 /nfs/dbraw/zinc/13/41/15/134134115.db2.gz NPSJHSBTEFKUDY-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN CS[C@H]1CCN(Cc2ccncc2F)C1 ZINC000336210257 134134360 /nfs/dbraw/zinc/13/43/60/134134360.db2.gz RLXBMKPNGOUGBI-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1nnc2n1CCCC2 ZINC000336212555 134134697 /nfs/dbraw/zinc/13/46/97/134134697.db2.gz WTDKEFBACMXXBE-NWDGAFQWSA-N 0 1 248.374 2.235 20 0 BEADMN CCCC(CCC)C(=O)NCc1cnc[nH]1 ZINC000169000694 134249015 /nfs/dbraw/zinc/24/90/15/134249015.db2.gz QDSNNICADZXFLK-UHFFFAOYSA-N 0 1 223.320 2.242 20 0 BEADMN CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000171834067 134260935 /nfs/dbraw/zinc/26/09/35/134260935.db2.gz VKQJUJHQJSSHBB-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN c1c[nH]c(CN2CCC3(CCCC3)C2)n1 ZINC000173824883 134277885 /nfs/dbraw/zinc/27/78/85/134277885.db2.gz KXRBADCFVPJFGR-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN C[C@@H]1CC[C@H](C)N(CC(=O)Nc2ccncc2)C1 ZINC000174008685 134280306 /nfs/dbraw/zinc/28/03/06/134280306.db2.gz ZNFCUVSKLWOTQX-NEPJUHHUSA-N 0 1 247.342 2.141 20 0 BEADMN C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccncc2)C1 ZINC000174008698 134280317 /nfs/dbraw/zinc/28/03/17/134280317.db2.gz ZNFCUVSKLWOTQX-RYUDHWBXSA-N 0 1 247.342 2.141 20 0 BEADMN O=C([O-])CCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000176928856 134294893 /nfs/dbraw/zinc/29/48/93/134294893.db2.gz ACVBEAAVLBVIQX-GHMZBOCLSA-N 0 1 243.372 2.211 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000177145613 134295738 /nfs/dbraw/zinc/29/57/38/134295738.db2.gz IQNDRTCZWZBLSD-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1nnc(CN2CC[C@H](C)[C@@H]2C)n1C1CC1 ZINC000177867003 134303647 /nfs/dbraw/zinc/30/36/47/134303647.db2.gz XULIEIUKKZHGGD-UWVGGRQHSA-N 0 1 234.347 2.152 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000178904763 134313445 /nfs/dbraw/zinc/31/34/45/134313445.db2.gz XMMGFCKCEXNYSC-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN COc1ccc(C)cc1CNC[C@H]1CCC[N@@H+]1C ZINC000221148587 134317221 /nfs/dbraw/zinc/31/72/21/134317221.db2.gz DDRSFKVNRRHGKQ-CQSZACIVSA-N 0 1 248.370 2.187 20 0 BEADMN COC1CC(N[C@H](C)c2nc(C)cs2)C1 ZINC000221066214 134318743 /nfs/dbraw/zinc/31/87/43/134318743.db2.gz UCCZCYLOARILBV-XNWIYYODSA-N 0 1 226.345 2.280 20 0 BEADMN CCc1nc(CN[C@]2(C)CCCOC2)cs1 ZINC000221338963 134320475 /nfs/dbraw/zinc/32/04/75/134320475.db2.gz HCNGCDHABHWASM-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN CCOCCCNCc1ncc(Cl)s1 ZINC000225292781 134352117 /nfs/dbraw/zinc/35/21/17/134352117.db2.gz BKWDWPUIIUPIHD-UHFFFAOYSA-N 0 1 234.752 2.313 20 0 BEADMN C[C@H](CO)CCCNCc1ncc(Cl)s1 ZINC000225376625 134354807 /nfs/dbraw/zinc/35/48/07/134354807.db2.gz JDKMUPMGXVATKQ-QMMMGPOBSA-N 0 1 248.779 2.295 20 0 BEADMN CC[C@H](CCO)CNCc1ncc(Cl)s1 ZINC000225365342 134354813 /nfs/dbraw/zinc/35/48/13/134354813.db2.gz VOAIBMNWMRJMCI-MRVPVSSYSA-N 0 1 248.779 2.295 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)C(F)F)o1 ZINC000226575292 134366579 /nfs/dbraw/zinc/36/65/79/134366579.db2.gz ISAYJGNYGRLFBG-SZEHBUNVSA-N 0 1 245.269 2.119 20 0 BEADMN Cc1nnc(CN[C@H](C)C2CCCC2)o1 ZINC000184644404 134367333 /nfs/dbraw/zinc/36/73/33/134367333.db2.gz UPAQZYQDBFLHRF-MRVPVSSYSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)OC(C)(C)C ZINC000185589270 134381963 /nfs/dbraw/zinc/38/19/63/134381963.db2.gz HHXVYVSKLOBKMT-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)OC(C)(C)C ZINC000185589292 134382033 /nfs/dbraw/zinc/38/20/33/134382033.db2.gz HHXVYVSKLOBKMT-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@]1(C(N)=O)CCCC[N@H+]1CCC1CCCC1 ZINC000185936012 134397264 /nfs/dbraw/zinc/39/72/64/134397264.db2.gz JLAKSQQISORXQP-AWEZNQCLSA-N 0 1 238.375 2.297 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000228004473 134399648 /nfs/dbraw/zinc/39/96/48/134399648.db2.gz DCHXWJACMSPLDH-IWSPIJDZSA-N 0 1 225.254 2.030 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC000191237580 134570364 /nfs/dbraw/zinc/57/03/64/134570364.db2.gz FIDQSAJHYZMGJC-JTQLQIEISA-N 0 1 236.363 2.263 20 0 BEADMN Cc1noc(C)c1CNCCC(F)(F)F ZINC000070798293 134923592 /nfs/dbraw/zinc/92/35/92/134923592.db2.gz YJLOFSOROJPHFH-UHFFFAOYSA-N 0 1 222.210 2.333 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)no1 ZINC000248423803 135008502 /nfs/dbraw/zinc/00/85/02/135008502.db2.gz NEUGJCBYEDRMDV-DLOVCJGASA-N 0 1 235.331 2.389 20 0 BEADMN CCOC(=O)CCN[C@H](CC)c1nccs1 ZINC000070732857 135010403 /nfs/dbraw/zinc/01/04/03/135010403.db2.gz YEGRGSCIDHKUAU-SECBINFHSA-N 0 1 242.344 2.137 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CCCOC2)n1 ZINC000070732745 135010711 /nfs/dbraw/zinc/01/07/11/135010711.db2.gz MRAXEACPKZVDQT-UWVGGRQHSA-N 0 1 226.345 2.281 20 0 BEADMN COC(=O)CCCN[C@@H](C)c1nc(C)cs1 ZINC000070733753 135011673 /nfs/dbraw/zinc/01/16/73/135011673.db2.gz JZSHHDBUBVMMOA-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000248621940 135016811 /nfs/dbraw/zinc/01/68/11/135016811.db2.gz YDRBCWWYZMUQAL-CYDGBPFRSA-N 0 1 240.391 2.220 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)CCO1 ZINC000249033733 135031237 /nfs/dbraw/zinc/03/12/37/135031237.db2.gz FTMBEVDAQDGOPQ-UPJWGTAASA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2csnn2)C[C@H]1C ZINC000251784545 135077878 /nfs/dbraw/zinc/07/78/78/135077878.db2.gz LGYTWVWIFBAVRJ-OPRDCNLKSA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)[C@@H](CC)C(=O)[O-] ZINC000086437944 135084814 /nfs/dbraw/zinc/08/48/14/135084814.db2.gz QBQJUZWVBKXZKA-UWVGGRQHSA-N 0 1 201.310 2.218 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000248583946 135088585 /nfs/dbraw/zinc/08/85/85/135088585.db2.gz WYVNNQSNRWZBNN-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN Cc1cscc1CNCc1ccnn1C ZINC000087309610 135122996 /nfs/dbraw/zinc/12/29/96/135122996.db2.gz WIOVOMLAZLFJTK-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1cnc(CN2CCCCCC2)n1C ZINC000257859327 135131678 /nfs/dbraw/zinc/13/16/78/135131678.db2.gz FBBVEEJJBSMQCI-UHFFFAOYSA-N 0 1 207.321 2.105 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000261527228 135150820 /nfs/dbraw/zinc/15/08/20/135150820.db2.gz ACHRJIFTEIMFGL-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000261527229 135151499 /nfs/dbraw/zinc/15/14/99/135151499.db2.gz ACHRJIFTEIMFGL-MNOVXSKESA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000261530502 135158552 /nfs/dbraw/zinc/15/85/52/135158552.db2.gz FRMPTCFLUIQWCA-NWDGAFQWSA-N 0 1 227.348 2.465 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000261535055 135168919 /nfs/dbraw/zinc/16/89/19/135168919.db2.gz NPCVAMIUJUIMSZ-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccsc1C ZINC000261535639 135170868 /nfs/dbraw/zinc/17/08/68/135170868.db2.gz OWSSQUPKPYQMHP-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CCC[C@H](Nc1cc(C)[nH+]c(CC)n1)C(=O)[O-] ZINC000261544381 135185224 /nfs/dbraw/zinc/18/52/24/135185224.db2.gz DWCWMJHIXVVYRJ-VIFPVBQESA-N 0 1 237.303 2.013 20 0 BEADMN C[C@H](NCCOC(F)(F)F)c1nccs1 ZINC000084178060 135190154 /nfs/dbraw/zinc/19/01/54/135190154.db2.gz FOLBEANBSQXJBE-LURJTMIESA-N 0 1 240.250 2.330 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCC2CCCC2)C1 ZINC000261565755 135207912 /nfs/dbraw/zinc/20/79/12/135207912.db2.gz DFLDJNXJMNGRNG-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](c1nc(C2(N)CCCC2)no1)C1CC1 ZINC000164057960 135211918 /nfs/dbraw/zinc/21/19/18/135211918.db2.gz ATUXXMJYVNPWON-QMMMGPOBSA-N 0 1 221.304 2.311 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccccc1)C1CC1 ZINC000261587265 135228760 /nfs/dbraw/zinc/22/87/60/135228760.db2.gz RPQCDCWJJSXTLR-SNVBAGLBSA-N 0 1 219.284 2.124 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1CCCCC(=O)[O-] ZINC000261592433 135232429 /nfs/dbraw/zinc/23/24/29/135232429.db2.gz VWJNBOUCXXKHHF-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1CCCCC(=O)[O-] ZINC000261592431 135232650 /nfs/dbraw/zinc/23/26/50/135232650.db2.gz VWJNBOUCXXKHHF-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1CCCCC(=O)[O-] ZINC000261592432 135232882 /nfs/dbraw/zinc/23/28/82/135232882.db2.gz VWJNBOUCXXKHHF-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@@H](C)c1nc(C2(N)CCC2)no1 ZINC000261597493 135237142 /nfs/dbraw/zinc/23/71/42/135237142.db2.gz ZCWGIWZXXABEGM-MRVPVSSYSA-N 0 1 209.293 2.167 20 0 BEADMN COCc1nc(CN[C@@H](C)C2CC2)cs1 ZINC000164415183 135246608 /nfs/dbraw/zinc/24/66/08/135246608.db2.gz OBJYFSKQDMZHTA-QMMMGPOBSA-N 0 1 226.345 2.178 20 0 BEADMN Nc1ncc(CN2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000261699446 135246659 /nfs/dbraw/zinc/24/66/59/135246659.db2.gz CHVWOZBDGXRGNM-LLVKDONJSA-N 0 1 248.355 2.391 20 0 BEADMN Cc1ccc(/C=C/c2nc(C3(N)CCC3)no2)o1 ZINC000261714576 135247639 /nfs/dbraw/zinc/24/76/39/135247639.db2.gz JDJLOFJFQJQSCH-AATRIKPKSA-N 0 1 245.282 2.479 20 0 BEADMN Clc1cccc(-c2noc([C@H]3CCN3)n2)c1 ZINC000261776957 135251384 /nfs/dbraw/zinc/25/13/84/135251384.db2.gz NNVVZDZBQUHDOO-SECBINFHSA-N 0 1 235.674 2.424 20 0 BEADMN NC1(c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)CCC1 ZINC000261818319 135255177 /nfs/dbraw/zinc/25/51/77/135255177.db2.gz QHBYNHIHPZKJNN-MYJAWHEDSA-N 0 1 233.315 2.311 20 0 BEADMN COCc1nc(CNC[C@H]2C[C@H]2C)cs1 ZINC000164427885 135255313 /nfs/dbraw/zinc/25/53/13/135255313.db2.gz WFYHPGBYZNUJSF-RKDXNWHRSA-N 0 1 226.345 2.035 20 0 BEADMN Cc1cccc(NC(C)(C)CCC(=O)[O-])[nH+]1 ZINC000261874644 135259090 /nfs/dbraw/zinc/25/90/90/135259090.db2.gz XTZSMHCJJCTCNT-UHFFFAOYSA-N 0 1 222.288 2.445 20 0 BEADMN Cc1ccsc1-c1nc(C2(N)CCC2)no1 ZINC000261896652 135261246 /nfs/dbraw/zinc/26/12/46/135261246.db2.gz YDUFMXSVRAXCIF-UHFFFAOYSA-N 0 1 235.312 2.444 20 0 BEADMN Cn1ccnc1[C@@H](NC[C@H]1CCCCO1)C1CC1 ZINC000342494908 135283571 /nfs/dbraw/zinc/28/35/71/135283571.db2.gz MPQHVXWOQBPCNH-OLZOCXBDSA-N 0 1 249.358 2.030 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000262254962 135288330 /nfs/dbraw/zinc/28/83/30/135288330.db2.gz QEDBZOBOBBZUOE-ZDUSSCGKSA-N 0 1 233.311 2.026 20 0 BEADMN CCOC(=O)CN(CC1CCC1)C1CCC1 ZINC000342643572 135300415 /nfs/dbraw/zinc/30/04/15/135300415.db2.gz ASXZRNMRYLRJSO-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CCCCN(CC(=O)OCC)C1CCC1 ZINC000342646090 135300574 /nfs/dbraw/zinc/30/05/74/135300574.db2.gz SPLKZZROJYYEIN-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCC1CC(N[C@H](C)c2nnc3n2CCCC3)C1 ZINC000342715605 135314019 /nfs/dbraw/zinc/31/40/19/135314019.db2.gz WGCMGSKCVBIIJY-VOMCLLRMSA-N 0 1 248.374 2.454 20 0 BEADMN CCN(Cc1ncc(C)n1C)CC(C)C ZINC000342779363 135317390 /nfs/dbraw/zinc/31/73/90/135317390.db2.gz LDWHTEAHZVJNHQ-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN O=C([O-])CCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000262766812 135317411 /nfs/dbraw/zinc/31/74/11/135317411.db2.gz LEEGTAQXXRXMEU-UHFFFAOYSA-N 0 1 237.274 2.049 20 0 BEADMN CC[C@H]1CCCN(Cc2ncc(C)n2C)C1 ZINC000342779622 135317741 /nfs/dbraw/zinc/31/77/41/135317741.db2.gz LZYOVYYPYBPMBY-LBPRGKRZSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cc(N[C@H](C)c2n[nH]c(C(C)C)n2)ncn1 ZINC000342784725 135318696 /nfs/dbraw/zinc/31/86/96/135318696.db2.gz WCFYGTXFXSNLRH-SECBINFHSA-N 0 1 246.318 2.200 20 0 BEADMN CCOC(=O)[C@H]1CCCN1C1CC(CC)C1 ZINC000342770394 135326579 /nfs/dbraw/zinc/32/65/79/135326579.db2.gz WXXVXGIKIZURQG-HTAVTVPLSA-N 0 1 225.332 2.203 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC(C)(C)C)C1 ZINC000263061138 135329579 /nfs/dbraw/zinc/32/95/79/135329579.db2.gz MVWJBFHQIXTTCL-UWVGGRQHSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(C)(C)C)C1 ZINC000263061139 135330156 /nfs/dbraw/zinc/33/01/56/135330156.db2.gz MVWJBFHQIXTTCL-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cnc(C[N@H+]2CC[C@H]3CCC[C@@H]32)o1 ZINC000334227164 135330485 /nfs/dbraw/zinc/33/04/85/135330485.db2.gz BEYGXWSVZXGFPO-MNOVXSKESA-N 0 1 206.289 2.357 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 ZINC000334226344 135330537 /nfs/dbraw/zinc/33/05/37/135330537.db2.gz FHVHUIAVVONRNR-ZWNOBZJWSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2(C)CCCC2)CC[N@@H+]1C ZINC000334172442 135330982 /nfs/dbraw/zinc/33/09/82/135330982.db2.gz BRUWLMKWDIGYQG-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2(C)CCCC2)CCN1C ZINC000334172442 135330984 /nfs/dbraw/zinc/33/09/84/135330984.db2.gz BRUWLMKWDIGYQG-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000334273838 135331566 /nfs/dbraw/zinc/33/15/66/135331566.db2.gz ZUBNLMRZVFBBLT-CMPLNLGQSA-N 0 1 207.321 2.041 20 0 BEADMN COCc1cnc(CN2C[C@@H](C)[C@H](C)C2)s1 ZINC000342940671 135337870 /nfs/dbraw/zinc/33/78/70/135337870.db2.gz HZDHKPACXZFTJQ-NXEZZACHSA-N 0 1 240.372 2.377 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H]2c2ccccc2)[nH]1 ZINC000334284380 135339440 /nfs/dbraw/zinc/33/94/40/135339440.db2.gz FXHQXAOFGVVONT-ZDUSSCGKSA-N 0 1 241.294 2.305 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCOc1ccccc1)C1CC1 ZINC000263323104 135346928 /nfs/dbraw/zinc/34/69/28/135346928.db2.gz JMBXRLLWVFOQFD-LLVKDONJSA-N 0 1 249.310 2.003 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCC(=O)[O-] ZINC000263353828 135349224 /nfs/dbraw/zinc/34/92/24/135349224.db2.gz QVEBKFTXOLMWST-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H]1CC=CCC1 ZINC000263408693 135351823 /nfs/dbraw/zinc/35/18/23/135351823.db2.gz KSSSHUWJUXXPRE-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H]1CCC[C@H](C[N@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000263418091 135352603 /nfs/dbraw/zinc/35/26/03/135352603.db2.gz NYDTWRPXVCUGLT-SRVKXCTJSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000263437077 135354632 /nfs/dbraw/zinc/35/46/32/135354632.db2.gz UYENBMRBHWYQAQ-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000263437079 135354671 /nfs/dbraw/zinc/35/46/71/135354671.db2.gz UYENBMRBHWYQAQ-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000263450653 135355201 /nfs/dbraw/zinc/35/52/01/135355201.db2.gz ZMBCSOSEUXWKKI-MCIONIFRSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2occc2c1 ZINC000263447214 135355618 /nfs/dbraw/zinc/35/56/18/135355618.db2.gz YESUAHWHBGEJRG-VIFPVBQESA-N 0 1 233.267 2.338 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263532688 135358174 /nfs/dbraw/zinc/35/81/74/135358174.db2.gz XLUGCFBAMSQZCR-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@@H](Nc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000263549046 135359544 /nfs/dbraw/zinc/35/95/44/135359544.db2.gz JJAXSOPTAXYVQE-SECBINFHSA-N 0 1 228.679 2.400 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2CCC2)C[C@@H]1C ZINC000334335706 135362787 /nfs/dbraw/zinc/36/27/87/135362787.db2.gz QYQVIHISMKEHIY-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2CCC2)C[C@@H]1C ZINC000334335709 135363174 /nfs/dbraw/zinc/36/31/74/135363174.db2.gz QYQVIHISMKEHIY-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)o1 ZINC000334351504 135368924 /nfs/dbraw/zinc/36/89/24/135368924.db2.gz WFTULFARILSGBW-WDEREUQCSA-N 0 1 235.331 2.389 20 0 BEADMN CCc1cccc(NC(=O)N2CC(N(C)C)C2)c1 ZINC000334359207 135370694 /nfs/dbraw/zinc/37/06/94/135370694.db2.gz VOOIXZJTFISZTG-UHFFFAOYSA-N 0 1 247.342 2.027 20 0 BEADMN CSc1ccccc1CN1CCN(C)CC1 ZINC000334382572 135380819 /nfs/dbraw/zinc/38/08/19/135380819.db2.gz GPSNFOXQAVUPEI-UHFFFAOYSA-N 0 1 236.384 2.156 20 0 BEADMN Cc1ncc(CN2C[C@H](C)S[C@@H](C)C2)cn1 ZINC000334387226 135383173 /nfs/dbraw/zinc/38/31/73/135383173.db2.gz OTAGKWUIVPSWNS-UWVGGRQHSA-N 0 1 237.372 2.111 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000334394907 135387426 /nfs/dbraw/zinc/38/74/26/135387426.db2.gz VQPHWFXFMDDYOX-IUCAKERBSA-N 0 1 233.315 2.158 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CC(C)(C)C ZINC000077901542 135392973 /nfs/dbraw/zinc/39/29/73/135392973.db2.gz XEWNVJGMYKJMOT-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN C[C@H]1CCC[C@]1(C)c1nc(C2(N)CCC2)no1 ZINC000334865556 135827732 /nfs/dbraw/zinc/82/77/32/135827732.db2.gz GQNCPNBRXGWVQW-CABZTGNLSA-N 0 1 235.331 2.485 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC[C@@](C)(O)CC2)o1 ZINC000335297528 136007002 /nfs/dbraw/zinc/00/70/02/136007002.db2.gz CIQGYKOIZYYYJX-DGCLKSJQSA-N 0 1 238.331 2.281 20 0 BEADMN CC(C)n1cc(CN(CC2CC2)CC2CC2)nn1 ZINC000347848185 136012358 /nfs/dbraw/zinc/01/23/58/136012358.db2.gz AOXAKVHLCRVZHG-UHFFFAOYSA-N 0 1 248.374 2.481 20 0 BEADMN CC[C@@H]1CCN(Cc2cn(C(C)C)nn2)C1 ZINC000347934661 136019179 /nfs/dbraw/zinc/01/91/79/136019179.db2.gz ZADQEPINVXVPHO-LLVKDONJSA-N 0 1 222.336 2.091 20 0 BEADMN O=C(N[C@H]1CC[C@H](F)C1)c1n[nH]c2ccccc21 ZINC000335315218 136024107 /nfs/dbraw/zinc/02/41/07/136024107.db2.gz CQPNERBYLWYMMZ-IUCAKERBSA-N 0 1 247.273 2.183 20 0 BEADMN O=C(N[C@@H]1CC[C@@H](F)C1)c1n[nH]c2ccccc21 ZINC000335315219 136024147 /nfs/dbraw/zinc/02/41/47/136024147.db2.gz CQPNERBYLWYMMZ-RKDXNWHRSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCC12CCC2 ZINC000335311301 136029493 /nfs/dbraw/zinc/02/94/93/136029493.db2.gz BVADSHUCSHBAPL-VXGBXAGGSA-N 0 1 246.358 2.344 20 0 BEADMN CC(C)n1nccc1CN[C@@H]1C[C@@H]1C(F)F ZINC000348121226 136032671 /nfs/dbraw/zinc/03/26/71/136032671.db2.gz SSECRRWXHOYSSR-VHSXEESVSA-N 0 1 229.274 2.207 20 0 BEADMN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1nccn1C ZINC000348156519 136040598 /nfs/dbraw/zinc/04/05/98/136040598.db2.gz DDWIODWGZAECQT-XHNCKOQMSA-N 0 1 229.274 2.114 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCCC2(CCC2)C1 ZINC000348182278 136043665 /nfs/dbraw/zinc/04/36/65/136043665.db2.gz QJVUIAMCDYEWEW-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN Cc1ncccc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000335338989 136045300 /nfs/dbraw/zinc/04/53/00/136045300.db2.gz LKPXUIOJEQURCJ-QWRGUYRKSA-N 0 1 247.342 2.201 20 0 BEADMN C[C@@H]1CC[C@H](CN2C[C@H](C)O[C@@H](C3CC3)C2)O1 ZINC000348206884 136054599 /nfs/dbraw/zinc/05/45/99/136054599.db2.gz SEKYXCDSDYWVDO-ZMJPVWNMSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CC[C@H](CN2C[C@@H](C)O[C@H](C3CC3)C2)O1 ZINC000348206875 136054742 /nfs/dbraw/zinc/05/47/42/136054742.db2.gz SEKYXCDSDYWVDO-OXHZDVMGSA-N 0 1 239.359 2.053 20 0 BEADMN CC(=O)N1CCN(CCCC2CCCC2)CC1 ZINC000348282274 136059683 /nfs/dbraw/zinc/05/96/83/136059683.db2.gz VLVLCXWUIPYBNB-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC(C)c1nc(CN2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000335341711 136064388 /nfs/dbraw/zinc/06/43/88/136064388.db2.gz UBNFFPBEGUKEGL-GHMZBOCLSA-N 0 1 236.363 2.406 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](C2CC2)C1 ZINC000367030094 136073024 /nfs/dbraw/zinc/07/30/24/136073024.db2.gz OWIZYMVNZAOHHY-GFCCVEGCSA-N 0 1 219.332 2.135 20 0 BEADMN CC[C@@H]1CC[C@H]1NCc1ncnn1C(C)(C)C ZINC000348330137 136074621 /nfs/dbraw/zinc/07/46/21/136074621.db2.gz HMTCFIXDQYPKML-GHMZBOCLSA-N 0 1 236.363 2.311 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@@H]2CC(C)C)[nH]1 ZINC000335386803 136089365 /nfs/dbraw/zinc/08/93/65/136089365.db2.gz BTNRXRVGTSMYDF-LLVKDONJSA-N 0 1 235.331 2.369 20 0 BEADMN c1cn([C@H]2CCCN(Cc3ccsc3)C2)nn1 ZINC000335549850 136097744 /nfs/dbraw/zinc/09/77/44/136097744.db2.gz MRIBGTHITJSPBA-LBPRGKRZSA-N 0 1 248.355 2.177 20 0 BEADMN Cc1ccsc1CN1CC(c2nc(C)no2)C1 ZINC000335587490 136102231 /nfs/dbraw/zinc/10/22/31/136102231.db2.gz ABSPLPMHEDKGKN-UHFFFAOYSA-N 0 1 249.339 2.347 20 0 BEADMN CN1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000335596341 136105059 /nfs/dbraw/zinc/10/50/59/136105059.db2.gz MPIOREIYNUKUTR-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cnns1 ZINC000335569850 136109101 /nfs/dbraw/zinc/10/91/01/136109101.db2.gz ITIKHSXTZIYAAQ-DTORHVGOSA-N 0 1 211.334 2.301 20 0 BEADMN Cc1nc(CSc2cccc(O)c2)n[nH]1 ZINC000335570814 136109214 /nfs/dbraw/zinc/10/92/14/136109214.db2.gz MUWLIAXAICZTJJ-UHFFFAOYSA-N 0 1 221.285 2.111 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC000335571524 136109840 /nfs/dbraw/zinc/10/98/40/136109840.db2.gz BLCOLSBNHXVMBJ-SECBINFHSA-N 0 1 211.334 2.016 20 0 BEADMN CC(C)[C@@H]1CCN(Cc2cnns2)C1 ZINC000335571524 136109841 /nfs/dbraw/zinc/10/98/41/136109841.db2.gz BLCOLSBNHXVMBJ-SECBINFHSA-N 0 1 211.334 2.016 20 0 BEADMN CC1(C)C[C@H](N[C@H]2CCn3ccnc32)C(C)(C)O1 ZINC000335575094 136110851 /nfs/dbraw/zinc/11/08/51/136110851.db2.gz CGCLKFZAVPESGO-QWRGUYRKSA-N 0 1 249.358 2.264 20 0 BEADMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cocn1 ZINC000348639924 136114953 /nfs/dbraw/zinc/11/49/53/136114953.db2.gz FNCSEPGONJDFNQ-YPMHNXCESA-N 0 1 238.331 2.190 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CCCOC2)o1 ZINC000348706988 136116993 /nfs/dbraw/zinc/11/69/93/136116993.db2.gz IPCZVKKDZLNOGY-NSHDSACASA-N 0 1 223.316 2.453 20 0 BEADMN COC(=O)C1(NCC(C)C)CCCCCC1 ZINC000037965747 322849288 /nfs/dbraw/zinc/84/92/88/322849288.db2.gz UZIXZWSWLMJQKU-UHFFFAOYSA-N 0 1 227.348 2.498 20 0 BEADMN CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001646379166 1172733777 /nfs/dbraw/zinc/73/37/77/1172733777.db2.gz LXNDUNWIQGJGEX-NWDGAFQWSA-N 0 1 240.391 2.125 20 0 BEADMN Cc1ncc(CN2C[C@H]3CCCC[C@H]32)cn1 ZINC001646999744 1172750128 /nfs/dbraw/zinc/75/01/28/1172750128.db2.gz CKQOYNRPSVIWFW-CHWSQXEVSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)C(C)C)n[nH]1 ZINC001647860679 1172772469 /nfs/dbraw/zinc/77/24/69/1172772469.db2.gz YHKHARJHVJRGSS-LBPRGKRZSA-N 0 1 235.331 2.428 20 0 BEADMN CCc1ccc(CN2CC[C@@H](O)C(C)(C)C2)nc1 ZINC000336437769 397753423 /nfs/dbraw/zinc/75/34/23/397753423.db2.gz MGIMCVACKGGPHW-CQSZACIVSA-N 0 1 248.370 2.237 20 0 BEADMN Cc1nc(CN[C@H](CCO)C(C)(C)C)oc1C ZINC000181488585 397808074 /nfs/dbraw/zinc/80/80/74/397808074.db2.gz TXCCTYNCNLMKHS-LLVKDONJSA-N 0 1 240.347 2.178 20 0 BEADMN Cc1nc(CN[C@@H](C)CC(C)(C)O)cs1 ZINC000295113686 397756726 /nfs/dbraw/zinc/75/67/26/397756726.db2.gz VLNGPRANQBJNAV-QMMMGPOBSA-N 0 1 228.361 2.091 20 0 BEADMN C[C@H]1C[C@@H]1CNC(=O)c1cc2[nH]cnc2cc1F ZINC000332787471 397768143 /nfs/dbraw/zinc/76/81/43/397768143.db2.gz FVEMJIBKADSELJ-JGVFFNPUSA-N 0 1 247.273 2.088 20 0 BEADMN COC1(C[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000361562692 397790467 /nfs/dbraw/zinc/79/04/67/397790467.db2.gz CBPJARQDJQLAAS-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN Cc1ccoc1CNC[C@@H](O)c1ccsc1 ZINC000164631468 397795149 /nfs/dbraw/zinc/79/51/49/397795149.db2.gz PKYWNAHOGHSVCR-LLVKDONJSA-N 0 1 237.324 2.473 20 0 BEADMN CCc1nc(CSCC(=O)C(C)(C)C)n[nH]1 ZINC000181767292 397860161 /nfs/dbraw/zinc/86/01/61/397860161.db2.gz VSELWGFVEMCVRM-UHFFFAOYSA-N 0 1 241.360 2.216 20 0 BEADMN CO[C@H](C)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000182204987 397860870 /nfs/dbraw/zinc/86/08/70/397860870.db2.gz FSLMIGYUBKADSQ-IPYPFGDCSA-N 0 1 249.354 2.483 20 0 BEADMN CC[C@H](NCc1ncc(C)s1)[C@@H]1CCCO1 ZINC000182302711 397824560 /nfs/dbraw/zinc/82/45/60/397824560.db2.gz KRFUROLCFCGFQL-QWRGUYRKSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@@H](NCc1ncc(C)s1)[C@@H]1CCCO1 ZINC000182302727 397824690 /nfs/dbraw/zinc/82/46/90/397824690.db2.gz KRFUROLCFCGFQL-MNOVXSKESA-N 0 1 240.372 2.499 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCCC3(CC3)CC2)CC1 ZINC000629376840 397928741 /nfs/dbraw/zinc/92/87/41/397928741.db2.gz BMFHMZDGKQGENM-UHFFFAOYSA-N 0 1 223.316 2.117 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cc2n(n1)CCCC2 ZINC000649539549 397933605 /nfs/dbraw/zinc/93/36/05/397933605.db2.gz ZDBGCOWMQRCUKK-NWDGAFQWSA-N 0 1 233.359 2.450 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cnc[nH]1 ZINC000266301169 397935880 /nfs/dbraw/zinc/93/58/80/397935880.db2.gz CWYGKVSTWRGDCW-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc[nH]1 ZINC000266301171 397936085 /nfs/dbraw/zinc/93/60/85/397936085.db2.gz CWYGKVSTWRGDCW-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@H]1CN(Cc2cc3n(n2)CCCC3)C[C@@H]1C ZINC000649545884 397936452 /nfs/dbraw/zinc/93/64/52/397936452.db2.gz WVNIMBPEQWVNGM-RYUDHWBXSA-N 0 1 233.359 2.307 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@H]1C ZINC000649548163 397940050 /nfs/dbraw/zinc/94/00/50/397940050.db2.gz OUEUETAZYSJWFU-NEPJUHHUSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccccc1 ZINC000650145605 397943000 /nfs/dbraw/zinc/94/30/00/397943000.db2.gz NSONAMCSMKGIAN-UPJWGTAASA-N 0 1 246.354 2.240 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccccc1 ZINC000650145605 397943005 /nfs/dbraw/zinc/94/30/05/397943005.db2.gz NSONAMCSMKGIAN-UPJWGTAASA-N 0 1 246.354 2.240 20 0 BEADMN CC(C)[C@H](C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650151655 397944990 /nfs/dbraw/zinc/94/49/90/397944990.db2.gz QVQMHQHTUSNDMD-XQHKEYJVSA-N 0 1 240.391 2.218 20 0 BEADMN C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CC1(C)CC1 ZINC000650154561 397945740 /nfs/dbraw/zinc/94/57/40/397945740.db2.gz MUKOXGCOOVSWKF-QJPTWQEYSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CC2(C)CC2)[C@@H](C)CN1C ZINC000650154561 397945746 /nfs/dbraw/zinc/94/57/46/397945746.db2.gz MUKOXGCOOVSWKF-QJPTWQEYSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@H](C)N(C)Cc1cc2n(n1)CCCC2 ZINC000649558654 397950656 /nfs/dbraw/zinc/95/06/56/397950656.db2.gz WNNGOLZKVNESKM-NSHDSACASA-N 0 1 221.348 2.450 20 0 BEADMN CCC[C@H]1C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000360784217 397967402 /nfs/dbraw/zinc/96/74/02/397967402.db2.gz VDBYEIFGROXUSG-UWVGGRQHSA-N 0 1 248.330 2.447 20 0 BEADMN CCC[C@H]1C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000360784217 397967405 /nfs/dbraw/zinc/96/74/05/397967405.db2.gz VDBYEIFGROXUSG-UWVGGRQHSA-N 0 1 248.330 2.447 20 0 BEADMN CCCN1CCN(C(=O)CCCC2CC2)CC1 ZINC000643174997 397955734 /nfs/dbraw/zinc/95/57/34/397955734.db2.gz FTOAERRUGFUOQD-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@@H]1CCN(Cc2cc3n(n2)CCC3)C[C@H]1C ZINC000649572155 397959580 /nfs/dbraw/zinc/95/95/80/397959580.db2.gz LRVKETDBGQZEBV-VXGBXAGGSA-N 0 1 233.359 2.307 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CCO[C@@H]2C)n1 ZINC000120902648 397899839 /nfs/dbraw/zinc/89/98/39/397899839.db2.gz MNZSOPKPKFPCPF-AEJSXWLSSA-N 0 1 226.345 2.280 20 0 BEADMN CO[C@H](C)CCc1nc([C@@H](N)CC(C)C)no1 ZINC000414620678 397993786 /nfs/dbraw/zinc/99/37/86/397993786.db2.gz QIGKKZUFRFGNGF-ZJUUUORDSA-N 0 1 241.335 2.083 20 0 BEADMN CO[C@H](c1nc([C@H](N)CC(C)C)no1)C1CC1 ZINC000414621328 397994922 /nfs/dbraw/zinc/99/49/22/397994922.db2.gz LZFUHYZCAFNDFM-ZJUUUORDSA-N 0 1 239.319 2.213 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC000077055658 397997130 /nfs/dbraw/zinc/99/71/30/397997130.db2.gz KZHRBXPJRGHRTD-SECBINFHSA-N 0 1 238.287 2.137 20 0 BEADMN CC(C)CC1(c2nc(C3(N)CCC3)no2)CC1 ZINC000414629889 397997504 /nfs/dbraw/zinc/99/75/04/397997504.db2.gz RLFCGTNYEQKIDR-UHFFFAOYSA-N 0 1 235.331 2.485 20 0 BEADMN FC(F)CNC1CCC2(CCCO2)CC1 ZINC000556787674 398046982 /nfs/dbraw/zinc/04/69/82/398046982.db2.gz IISXIOFCAWKJCN-UHFFFAOYSA-N 0 1 219.275 2.333 20 0 BEADMN CN(CCCCc1ccccc1)Cc1nnc[nH]1 ZINC000274792969 398014879 /nfs/dbraw/zinc/01/48/79/398014879.db2.gz OPOITCPWKYESKY-UHFFFAOYSA-N 0 1 244.342 2.259 20 0 BEADMN FC1(F)CC(c2nc([C@H]3CCCN3)no2)C1 ZINC000383322398 398017761 /nfs/dbraw/zinc/01/77/61/398017761.db2.gz SGSRKVGZWCOFFD-SSDOTTSWSA-N 0 1 229.230 2.007 20 0 BEADMN c1nc(CN[C@@H]2C[C@H]2Cc2ccccc2)co1 ZINC000277002884 398025015 /nfs/dbraw/zinc/02/50/15/398025015.db2.gz KDQOSWYQCTZPOU-TZMCWYRMSA-N 0 1 228.295 2.395 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H]1C1CCCC1 ZINC000048820561 398049026 /nfs/dbraw/zinc/04/90/26/398049026.db2.gz WKHKMKDRSJINEB-LBPRGKRZSA-N 0 1 233.315 2.205 20 0 BEADMN CCCCC[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000361055692 397971466 /nfs/dbraw/zinc/97/14/66/397971466.db2.gz WVLZTTHKJRIEKX-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](F)CN[C@H](C)c1cnn(CC)c1 ZINC000451889849 397971971 /nfs/dbraw/zinc/97/19/71/397971971.db2.gz NTHJRSZDNCKDBT-KOLCDFICSA-N 0 1 213.300 2.302 20 0 BEADMN FC1=CCCN(C[C@@H]2CCSC2)C1 ZINC000307307022 398043075 /nfs/dbraw/zinc/04/30/75/398043075.db2.gz YMDWONABXNGGRW-VIFPVBQESA-N 0 1 201.310 2.299 20 0 BEADMN Cc1nnsc1CN1CC(C)=C[C@@H](C)C1 ZINC000649596367 397985063 /nfs/dbraw/zinc/98/50/63/397985063.db2.gz TVILKGRWUZVQBH-MRVPVSSYSA-N 0 1 223.345 2.245 20 0 BEADMN CC[C@@H]1CN(CCOCC2CC2)[C@@H](CC)CO1 ZINC000649721506 398064868 /nfs/dbraw/zinc/06/48/68/398064868.db2.gz ZCGIFENAPSDUQX-UONOGXRCSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(CCOCC2CC2)[C@H](CC)CO1 ZINC000649721507 398065042 /nfs/dbraw/zinc/06/50/42/398065042.db2.gz ZCGIFENAPSDUQX-ZIAGYGMSSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCCCO2)[C@@H](C)CO1 ZINC000649730059 398068102 /nfs/dbraw/zinc/06/81/02/398068102.db2.gz KHQWUHXRHWXXBM-XQQFMLRXSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H]1CN(CCc2ccccn2)[C@@H](C)CO1 ZINC000649729851 398068252 /nfs/dbraw/zinc/06/82/52/398068252.db2.gz HAQRLZJKBDWZIA-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2)[C@@H](C)CO1 ZINC000649730467 398069362 /nfs/dbraw/zinc/06/93/62/398069362.db2.gz RVSJZAMAXJQWJU-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000355035683 398093409 /nfs/dbraw/zinc/09/34/09/398093409.db2.gz GXUQHNSNBYDSSM-RTXFEEFZSA-N 0 1 248.326 2.030 20 0 BEADMN CC[C@H]1CN(CCc2cccnc2)[C@H](C)CO1 ZINC000649735033 398075935 /nfs/dbraw/zinc/07/59/35/398075935.db2.gz DWANDDSHQVSTQN-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)CCC(C)C)[C@@H](C)CO1 ZINC000649736426 398077769 /nfs/dbraw/zinc/07/77/69/398077769.db2.gz AJNWDHWYIODZCH-MELADBBJSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@H]1CN(CCc2cccc(C)n2)[C@H](C)CO1 ZINC000649736982 398078561 /nfs/dbraw/zinc/07/85/61/398078561.db2.gz OHDXPHRDHOPWLC-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1CN(CCOCC2CCC2)[C@@H](C)CO1 ZINC000649736800 398078639 /nfs/dbraw/zinc/07/86/39/398078639.db2.gz JNHOWGDMPQRDAX-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)[C@H](C)CO1 ZINC000649736783 398078725 /nfs/dbraw/zinc/07/87/25/398078725.db2.gz JBDNDIWLIQDTOI-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1[nH]ncc1CN1CCOCc2ccccc21 ZINC000291557021 398094824 /nfs/dbraw/zinc/09/48/24/398094824.db2.gz MUHRUQACOMQZHR-UHFFFAOYSA-N 0 1 243.310 2.255 20 0 BEADMN FC(F)CN1CCC2(CC2(F)F)CC1 ZINC000649772979 398094987 /nfs/dbraw/zinc/09/49/87/398094987.db2.gz FAOLRORDWZZRAW-UHFFFAOYSA-N 0 1 211.202 2.373 20 0 BEADMN c1onc(C2CC2)c1-c1nc([C@@H]2CCCN2)no1 ZINC000647145381 398087111 /nfs/dbraw/zinc/08/71/11/398087111.db2.gz UPFPMBYPBZKGFN-VIFPVBQESA-N 0 1 246.270 2.027 20 0 BEADMN c1oc(-c2nc([C@H]3CCCN3)no2)c2c1CCC2 ZINC000647145493 398087154 /nfs/dbraw/zinc/08/71/54/398087154.db2.gz XCTQABDOLDKOIK-SNVBAGLBSA-N 0 1 245.282 2.243 20 0 BEADMN CN(C)c1cccc(CN2CC[C@H](F)C2)c1 ZINC000649755909 398087600 /nfs/dbraw/zinc/08/76/00/398087600.db2.gz MTUYZOSNRNUIOD-LBPRGKRZSA-N 0 1 222.307 2.296 20 0 BEADMN CCc1cncc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647145730 398087839 /nfs/dbraw/zinc/08/78/39/398087839.db2.gz COEKVLLKEKETER-NSHDSACASA-N 0 1 244.298 2.119 20 0 BEADMN CCCN(CC(N)=O)Cc1ccccc1C1CC1 ZINC000644842958 398096096 /nfs/dbraw/zinc/09/60/96/398096096.db2.gz UDNSYZCQBPJYEW-UHFFFAOYSA-N 0 1 246.354 2.261 20 0 BEADMN OC1CCC2(CC1)CCN(CC(F)F)CC2 ZINC000649716326 398057591 /nfs/dbraw/zinc/05/75/91/398057591.db2.gz MCQIRBIMERFAQQ-UHFFFAOYSA-N 0 1 233.302 2.269 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1CCOCC1CC1 ZINC000649716060 398058254 /nfs/dbraw/zinc/05/82/54/398058254.db2.gz RTCFVBNTEWXGBT-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC/C=C/CCSc1nc(N)cc(N)n1 ZINC000185184640 398058692 /nfs/dbraw/zinc/05/86/92/398058692.db2.gz BQCSILGYPVEYPX-ONEGZZNKSA-N 0 1 224.333 2.089 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCNC[C@H]1C(C)C ZINC000638489976 398100256 /nfs/dbraw/zinc/10/02/56/398100256.db2.gz RUUZGXRPJBRZHF-AVGNSLFASA-N 0 1 240.391 2.125 20 0 BEADMN CC/C=C/CNCc1cnc(OC)s1 ZINC000384727027 398103681 /nfs/dbraw/zinc/10/36/81/398103681.db2.gz IMSWSBQWSSGBKE-SNAWJCMRSA-N 0 1 212.318 2.208 20 0 BEADMN Cc1cc(CN2CCSC(C)(C)C2)ncn1 ZINC000292568044 398105516 /nfs/dbraw/zinc/10/55/16/398105516.db2.gz SHJKTZOQWMXESC-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCS[C@@H](C)CC1 ZINC000192176323 398105900 /nfs/dbraw/zinc/10/59/00/398105900.db2.gz YHGPJUTYLSUMLY-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](CO)C1 ZINC000245415281 398115557 /nfs/dbraw/zinc/11/55/57/398115557.db2.gz DCSVXFXNJBMXGE-NXEZZACHSA-N 0 1 241.281 2.340 20 0 BEADMN CCc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000221538102 398119864 /nfs/dbraw/zinc/11/98/64/398119864.db2.gz GYOJWIUZVIYRKM-UHFFFAOYSA-N 0 1 246.354 2.027 20 0 BEADMN C[C@H]1CN(CCc2ccccn2)C2(CCC2)CO1 ZINC000649825646 398127969 /nfs/dbraw/zinc/12/79/69/398127969.db2.gz DGTWFAUXKNWAJU-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CCN(CC(=O)N(C)CCC(C)(C)C)C1CC1 ZINC000648544769 398127978 /nfs/dbraw/zinc/12/79/78/398127978.db2.gz JNUSHXRCNLUYPC-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN O=C(Cc1ccoc1)Nc1ccc2cncn2c1 ZINC001647938101 1172781481 /nfs/dbraw/zinc/78/14/81/1172781481.db2.gz DLNSZTXKVYVWSH-UHFFFAOYSA-N 0 1 241.250 2.109 20 0 BEADMN CC(C)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000082791387 167027781 /nfs/dbraw/zinc/02/77/81/167027781.db2.gz ORSCGFZOKMYCNM-UHFFFAOYSA-N 0 1 219.284 2.151 20 0 BEADMN Cc1cc([C@H]2CCCCN2Cc2cc[nH]n2)n[nH]1 ZINC001648433415 1172833404 /nfs/dbraw/zinc/83/34/04/1172833404.db2.gz KDJGBWHSEVNQAB-CYBMUJFWSA-N 0 1 245.330 2.168 20 0 BEADMN C[C@@H](C(=O)NC1(c2ccccc2)CCC1)N(C)C ZINC000674246078 487535961 /nfs/dbraw/zinc/53/59/61/487535961.db2.gz BWIWGQIWFYMOGD-LBPRGKRZSA-N 0 1 246.354 2.132 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2ncccc2c1)N(C)C ZINC000674245907 487535997 /nfs/dbraw/zinc/53/59/97/487535997.db2.gz WFNVDALKBAULMJ-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN C[C@H]1CCC(F)(F)CN1Cc1cnc[nH]1 ZINC001648598471 1172854615 /nfs/dbraw/zinc/85/46/15/1172854615.db2.gz OYTRXQNBUPNVTG-QMMMGPOBSA-N 0 1 215.247 2.029 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@H]2C)n1 ZINC000309455038 487558435 /nfs/dbraw/zinc/55/84/35/487558435.db2.gz NKGDJEMNDSUUHV-HLTSFMKQSA-N 0 1 209.293 2.239 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762066 487559196 /nfs/dbraw/zinc/55/91/96/487559196.db2.gz BMRIKOZBDIEFFC-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)[O-])cn1 ZINC000094762162 487559075 /nfs/dbraw/zinc/55/90/75/487559075.db2.gz HSOIIMGXYWQESY-SNVBAGLBSA-N 0 1 236.315 2.400 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC000094762803 487559956 /nfs/dbraw/zinc/55/99/56/487559956.db2.gz RTMNOZDXZBDZLL-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000300941768 487560003 /nfs/dbraw/zinc/56/00/03/487560003.db2.gz NIVLUFGIRWPGPY-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CN(Cc1ccon1)C[C@]12CCC[C@H]1OCC2 ZINC001648651158 1172860426 /nfs/dbraw/zinc/86/04/26/1172860426.db2.gz VDWVOWNRHYRSSC-CHWSQXEVSA-N 0 1 236.315 2.066 20 0 BEADMN Cc1nc[nH]c1C(=O)N1c2ccccc2C[C@@H]1C ZINC000074673061 487563842 /nfs/dbraw/zinc/56/38/42/487563842.db2.gz VAYLWBVXGGXEMY-VIFPVBQESA-N 0 1 241.294 2.310 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C)c1c(C)noc1C ZINC000685616190 487565493 /nfs/dbraw/zinc/56/54/93/487565493.db2.gz ZIHVUNGUKJRYFG-QMMMGPOBSA-N 0 1 234.303 2.174 20 0 BEADMN CC(C)[C@H](O)CCNCc1nc2ccccc2o1 ZINC001649915052 1172881022 /nfs/dbraw/zinc/88/10/22/1172881022.db2.gz BLTQQEZTYSTIFH-GFCCVEGCSA-N 0 1 248.326 2.324 20 0 BEADMN CCCN(CC(=O)Nc1cc(C)on1)C(C)C ZINC000653797442 487567831 /nfs/dbraw/zinc/56/78/31/487567831.db2.gz MLMRESWPTZYASE-UHFFFAOYSA-N 0 1 239.319 2.042 20 0 BEADMN CC(C)(C)c1n[nH]c(S[C@H]2CCCOC2)n1 ZINC000674387508 487568011 /nfs/dbraw/zinc/56/80/11/487568011.db2.gz JSRGRWBQYBXQHD-QMMMGPOBSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(S[C@H]2CCCOC2)n[nH]1 ZINC000674387508 487568015 /nfs/dbraw/zinc/56/80/15/487568015.db2.gz JSRGRWBQYBXQHD-QMMMGPOBSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)c1cc(CN[C@H](C)[C@@H]2CCCO2)on1 ZINC000680341417 487569088 /nfs/dbraw/zinc/56/90/88/487569088.db2.gz LAENIOJJTQWDPB-MFKMUULPSA-N 0 1 238.331 2.455 20 0 BEADMN COC[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccco1 ZINC000680341901 487569471 /nfs/dbraw/zinc/56/94/71/487569471.db2.gz GWDHMXKAHGKHQC-WOPDTQHZSA-N 0 1 239.315 2.124 20 0 BEADMN Cc1cnccc1CNc1ccc2nn[nH]c2c1 ZINC001650712143 1172892262 /nfs/dbraw/zinc/89/22/62/1172892262.db2.gz ZGAJVBNFXLJUDA-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1cnccc1CNc1ccc2n[nH]nc2c1 ZINC001650712143 1172892271 /nfs/dbraw/zinc/89/22/71/1172892271.db2.gz ZGAJVBNFXLJUDA-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN COCCN(Cc1n[nH]cc1C)C1CCCC1 ZINC000685834090 487579888 /nfs/dbraw/zinc/57/98/88/487579888.db2.gz FTCFINMNXKNGHD-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN COc1ccc(CNc2cccc3[nH]nnc32)o1 ZINC001651097228 1172923845 /nfs/dbraw/zinc/92/38/45/1172923845.db2.gz UGZUXFFVNQUQRN-UHFFFAOYSA-N 0 1 244.254 2.172 20 0 BEADMN CC(C)OCCN(C)[C@@H](C)c1ccccn1 ZINC000177896864 167227449 /nfs/dbraw/zinc/22/74/49/167227449.db2.gz WKLFGEFNZGQIGA-LBPRGKRZSA-N 0 1 222.332 2.499 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H](N)c1ccc(C)cc1 ZINC000228075336 487583033 /nfs/dbraw/zinc/58/30/33/487583033.db2.gz ADWRKTSXQWBLNP-DGCLKSJQSA-N 0 1 234.343 2.300 20 0 BEADMN Cc1cn[nH]c1CN1CCOc2ccccc2C1 ZINC000685834590 487583575 /nfs/dbraw/zinc/58/35/75/487583575.db2.gz FOQRHOXPUTVMCD-UHFFFAOYSA-N 0 1 243.310 2.113 20 0 BEADMN CC(C)OCCN[C@H](C)c1ccncc1F ZINC000336750853 167243134 /nfs/dbraw/zinc/24/31/34/167243134.db2.gz VAAJRVBXXQMLJM-SNVBAGLBSA-N 0 1 226.295 2.296 20 0 BEADMN C[C@H]1CN(CC2(F)CC2)CCC1(F)F ZINC000685849295 487587718 /nfs/dbraw/zinc/58/77/18/487587718.db2.gz MBIRVULVJZYHCV-QMMMGPOBSA-N 0 1 207.239 2.466 20 0 BEADMN CC1CC(CNCc2nn(C)cc2Cl)C1 ZINC001651363798 1172947443 /nfs/dbraw/zinc/94/74/43/1172947443.db2.gz NVPJSYZCZRXSCW-UHFFFAOYSA-N 0 1 227.739 2.209 20 0 BEADMN CC(C)OC[C@H](C)NCc1nccn1C(F)F ZINC000337332366 167266448 /nfs/dbraw/zinc/26/64/48/167266448.db2.gz IDXVLIKAKYSQFE-VIFPVBQESA-N 0 1 247.289 2.181 20 0 BEADMN c1nc(CNCc2ccc3cccnc3c2)c[nH]1 ZINC001651420035 1172951670 /nfs/dbraw/zinc/95/16/70/1172951670.db2.gz HIRPIDJHZMMBIQ-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN Cl/C=C/C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC001651651708 1172970025 /nfs/dbraw/zinc/97/00/25/1172970025.db2.gz XTJKSAXYBVBQKM-DAFODLJHSA-N 0 1 221.691 2.405 20 0 BEADMN Cl/C=C\CNCc1cnc2ccccn12 ZINC001651651133 1172969729 /nfs/dbraw/zinc/96/97/29/1172969729.db2.gz BUDPDWQFSJPCKA-HYXAFXHYSA-N 0 1 221.691 2.176 20 0 BEADMN Cc1nnc(SCc2ccc3c[nH]nc3c2)[nH]1 ZINC001651739881 1172980652 /nfs/dbraw/zinc/98/06/52/1172980652.db2.gz YANHMYOXCKXMLS-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2)[C@H](C)C1 ZINC000305977431 487605407 /nfs/dbraw/zinc/60/54/07/487605407.db2.gz RHOFRKZURXMTSP-RISCZKNCSA-N 0 1 235.327 2.392 20 0 BEADMN CC(C)SCCN1CCO[C@H](C(C)C)C1 ZINC000338302448 167324955 /nfs/dbraw/zinc/32/49/55/167324955.db2.gz RTKVOPQQYJGSFM-LBPRGKRZSA-N 0 1 231.405 2.485 20 0 BEADMN CC(C)SCCN1C[C@@H](C)O[C@H](C)C1 ZINC000336680728 167327914 /nfs/dbraw/zinc/32/79/14/167327914.db2.gz GSPGRCSUEVRAHT-GHMZBOCLSA-N 0 1 217.378 2.237 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@H]1CCC1(C)C ZINC000662551561 409751374 /nfs/dbraw/zinc/75/13/74/409751374.db2.gz DPKZMMFQTJIJSW-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000308790526 409905670 /nfs/dbraw/zinc/90/56/70/409905670.db2.gz COJDSUIGFLNWQV-AXFHLTTASA-N 0 1 213.321 2.075 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000308790535 409906455 /nfs/dbraw/zinc/90/64/55/409906455.db2.gz COJDSUIGFLNWQV-GARJFASQSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H](CF)NCc1n[nH]c2ccccc12 ZINC000308829485 409907554 /nfs/dbraw/zinc/90/75/54/409907554.db2.gz FRRFTVJHXQLZFQ-QMMMGPOBSA-N 0 1 207.252 2.011 20 0 BEADMN C[C@@H](CF)NCc1[nH]nc2ccccc21 ZINC000308829485 409907559 /nfs/dbraw/zinc/90/75/59/409907559.db2.gz FRRFTVJHXQLZFQ-QMMMGPOBSA-N 0 1 207.252 2.011 20 0 BEADMN Cc1ccc(OCCN(C)Cc2cn[nH]c2)cc1 ZINC000674752387 487611355 /nfs/dbraw/zinc/61/13/55/487611355.db2.gz OEEKMEPXPMCWPU-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN CC(NC(=O)c1ccc(CN)o1)(C1CC1)C1CC1 ZINC000662915076 409978606 /nfs/dbraw/zinc/97/86/06/409978606.db2.gz IWYNNLLCVHHUKX-UHFFFAOYSA-N 0 1 248.326 2.047 20 0 BEADMN C[C@H](O)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000658364304 409986809 /nfs/dbraw/zinc/98/68/09/409986809.db2.gz ZNXJTWMMRQEARK-COPLHBTASA-N 0 1 245.326 2.182 20 0 BEADMN CSc1cccnc1NCc1[nH]ncc1C ZINC000651971401 409943272 /nfs/dbraw/zinc/94/32/72/409943272.db2.gz DDUMFABEJXWKDL-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN CC[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221388050 487612698 /nfs/dbraw/zinc/61/26/98/487612698.db2.gz QOCYTPOSRMUJNR-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCCn1cncc1CN(CC)C1CC1 ZINC001651980553 1173017873 /nfs/dbraw/zinc/01/78/73/1173017873.db2.gz YTKPBLPMPVITMX-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN C[N@@H+](C[C@@H]1CC1(C)C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000663317392 410110518 /nfs/dbraw/zinc/11/05/18/410110518.db2.gz NDKZWUYILNTNOI-NWDGAFQWSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](COCC1CC1)NCc1ccncc1F ZINC000651983757 410130435 /nfs/dbraw/zinc/13/04/35/410130435.db2.gz JECHRJZISRJOJA-SNVBAGLBSA-N 0 1 238.306 2.125 20 0 BEADMN CCc1cc(=O)n(Cc2ccc(C)cc2)[nH]1 ZINC000101994429 410138353 /nfs/dbraw/zinc/13/83/53/410138353.db2.gz DHFIRMCYRFXMJI-UHFFFAOYSA-N 0 1 216.284 2.493 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)Nc2cnccn2)n[nH]1 ZINC000663841985 410351801 /nfs/dbraw/zinc/35/18/01/410351801.db2.gz UPFXBBOPMCLSEM-IUCAKERBSA-N 0 1 246.318 2.281 20 0 BEADMN CC[C@H](C)N(CC)C(=O)NCc1cn[nH]c1C ZINC000663691134 410312232 /nfs/dbraw/zinc/31/22/32/410312232.db2.gz YCINWOWOASOCFS-VIFPVBQESA-N 0 1 238.335 2.048 20 0 BEADMN CC[C@H](C(=O)[O-])N(C)c1cc[nH+]cc1Cl ZINC000650777306 410425926 /nfs/dbraw/zinc/42/59/26/410425926.db2.gz ARCZPFBSHYNUQH-MRVPVSSYSA-N 0 1 228.679 2.034 20 0 BEADMN CC[C@@H](C(=O)[O-])N(C)c1cc[nH+]cc1Cl ZINC000650777307 410426145 /nfs/dbraw/zinc/42/61/45/410426145.db2.gz ARCZPFBSHYNUQH-QMMMGPOBSA-N 0 1 228.679 2.034 20 0 BEADMN Cc1ccoc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000650794660 410442712 /nfs/dbraw/zinc/44/27/12/410442712.db2.gz DGMOCBPATRQJTA-NXEZZACHSA-N 0 1 223.272 2.026 20 0 BEADMN Cc1ccnc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000661492477 410708316 /nfs/dbraw/zinc/70/83/16/410708316.db2.gz ORAFDVVTUCDZHH-GASCZTMLSA-N 0 1 246.354 2.248 20 0 BEADMN C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H](C)C1=O ZINC000661539108 410739701 /nfs/dbraw/zinc/73/97/01/410739701.db2.gz NPFXQGMITPGOGY-UPJWGTAASA-N 0 1 239.359 2.103 20 0 BEADMN c1cc(CN2CC[C@@H](C3CCC3)C2)no1 ZINC000665286107 410769111 /nfs/dbraw/zinc/76/91/11/410769111.db2.gz FIXRZFMPKBIEHZ-LLVKDONJSA-N 0 1 206.289 2.297 20 0 BEADMN c1[nH]nnc1CSc1nc2cnccc2s1 ZINC001652097299 1173031620 /nfs/dbraw/zinc/03/16/20/1173031620.db2.gz CCTFJDSTEOOOOC-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN CCc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000103316129 410887992 /nfs/dbraw/zinc/88/79/92/410887992.db2.gz JCITYLVQXRWVDJ-LLVKDONJSA-N 0 1 202.257 2.435 20 0 BEADMN Cc1[nH]n(-c2ccccc2F)c(=O)c1C ZINC000103294597 410888645 /nfs/dbraw/zinc/88/86/45/410888645.db2.gz GCVXYNHOJXZPPN-ZETCQYMHSA-N 0 1 206.220 2.184 20 0 BEADMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C ZINC000103294619 410889137 /nfs/dbraw/zinc/88/91/37/410889137.db2.gz XVYGGNSTDYHSSD-VIFPVBQESA-N 0 1 202.257 2.354 20 0 BEADMN CC(C)CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000194958550 167011465 /nfs/dbraw/zinc/01/14/65/167011465.db2.gz KDKOSQCNCZXWFX-LBPRGKRZSA-N 0 1 230.315 2.140 20 0 BEADMN CC(C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000336451570 167083719 /nfs/dbraw/zinc/08/37/19/167083719.db2.gz SAUZQLGZFBQNGD-JTQLQIEISA-N 0 1 249.358 2.163 20 0 BEADMN CC(C)OC1CC(Nc2ccc3nn[nH]c3c2)C1 ZINC000189548730 167180178 /nfs/dbraw/zinc/18/01/78/167180178.db2.gz GVQLLZJIKHBZGW-UHFFFAOYSA-N 0 1 246.314 2.326 20 0 BEADMN CC(C)OC1CC(Nc2ccc3n[nH]nc3c2)C1 ZINC000189548730 167180181 /nfs/dbraw/zinc/18/01/81/167180181.db2.gz GVQLLZJIKHBZGW-UHFFFAOYSA-N 0 1 246.314 2.326 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000295523544 167279240 /nfs/dbraw/zinc/27/92/40/167279240.db2.gz IUQDCCSYGSBVEI-GFCCVEGCSA-N 0 1 249.310 2.268 20 0 BEADMN CC(C)Oc1ccccc1CN(C)C1(CO)CC1 ZINC000285367943 167309957 /nfs/dbraw/zinc/30/99/57/167309957.db2.gz BZQDZBSXHRVGJE-UHFFFAOYSA-N 0 1 249.354 2.431 20 0 BEADMN CC(C)[C@@H](C(=O)Nc1ccsc1)N(C)C ZINC000118678926 167344820 /nfs/dbraw/zinc/34/48/20/167344820.db2.gz QLLKZWKVNBLWCZ-JTQLQIEISA-N 0 1 226.345 2.273 20 0 BEADMN CC(C)[C@@H](C(=O)Nc1cccc(F)c1)N(C)C ZINC000106407827 167345882 /nfs/dbraw/zinc/34/58/82/167345882.db2.gz KBMOEQGITCBPPX-LBPRGKRZSA-N 0 1 238.306 2.350 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336549417 167348163 /nfs/dbraw/zinc/34/81/63/167348163.db2.gz DLESGNXJFWKMNG-LLVKDONJSA-N 0 1 249.358 2.408 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCC2(CC2)CC1 ZINC000368426532 167373745 /nfs/dbraw/zinc/37/37/45/167373745.db2.gz WLNJPNVRSCYYPY-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CC[C@H](C)CC2)n[nH]1 ZINC000651341163 410924341 /nfs/dbraw/zinc/92/43/41/410924341.db2.gz YNDQEQAMTIUNHS-HOMQSWHASA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H](CO)CC2CCC2)c2nccn21 ZINC000651340558 410924575 /nfs/dbraw/zinc/92/45/75/410924575.db2.gz ZCVOXTVFIZPFDB-KGYLQXTDSA-N 0 1 249.358 2.030 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)nc1 ZINC000397493798 410924816 /nfs/dbraw/zinc/92/48/16/410924816.db2.gz NTBPBNGOJDKFAP-NWDGAFQWSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H](C1CC1)N1N=C(c2ccccc2)CC1=O ZINC000104173771 410926887 /nfs/dbraw/zinc/92/68/87/410926887.db2.gz WCRLRNSZEUVMKE-JTQLQIEISA-N 0 1 228.295 2.422 20 0 BEADMN OC[C@H](CCF)NCc1c(F)cccc1Cl ZINC000652014916 410950184 /nfs/dbraw/zinc/95/01/84/410950184.db2.gz OBRCYEPDJSXNEJ-QMMMGPOBSA-N 0 1 249.688 2.289 20 0 BEADMN CCc1cccc(CNCc2cn[nH]c2)c1 ZINC000652032618 411083225 /nfs/dbraw/zinc/08/32/25/411083225.db2.gz JXBHJRXEUFWGBI-UHFFFAOYSA-N 0 1 215.300 2.262 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCC3)CCO1 ZINC000651610978 411130035 /nfs/dbraw/zinc/13/00/35/411130035.db2.gz BTDFRDAXOJQXJR-GFCCVEGCSA-N 0 1 231.339 2.396 20 0 BEADMN CCC1CN(Cc2cc(OC)cc(C)n2)C1 ZINC000651610239 411130053 /nfs/dbraw/zinc/13/00/53/411130053.db2.gz PLTLRPCHEULHLP-UHFFFAOYSA-N 0 1 220.316 2.240 20 0 BEADMN COC[C@@H]1CCN1Cc1cc2cnccc2o1 ZINC000651816859 411145257 /nfs/dbraw/zinc/14/52/57/411145257.db2.gz MRXGNWSFUJLFCN-NSHDSACASA-N 0 1 232.283 2.049 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@H](C)[C@H](C)C2)[nH]1 ZINC000659972449 411151327 /nfs/dbraw/zinc/15/13/27/411151327.db2.gz VFHGNXWNVYCPLZ-KXUCPTDWSA-N 0 1 222.336 2.016 20 0 BEADMN CCN(Cc1cncs1)[C@@H]1CCCOC1 ZINC000651948862 411159761 /nfs/dbraw/zinc/15/97/61/411159761.db2.gz YLGOXXOECXCMSN-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1nnc(CN[C@H]2CC[C@H](C)SC2)s1 ZINC000655750934 411160121 /nfs/dbraw/zinc/16/01/21/411160121.db2.gz HLKXVMCPCVYFQN-CBAPKCEASA-N 0 1 243.401 2.220 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H](C)SC2)s1 ZINC000655750935 411160197 /nfs/dbraw/zinc/16/01/97/411160197.db2.gz HLKXVMCPCVYFQN-IONNQARKSA-N 0 1 243.401 2.220 20 0 BEADMN CCn1cc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC000652063500 411104065 /nfs/dbraw/zinc/10/40/65/411104065.db2.gz NRBULYQTDSXBLZ-NSHDSACASA-N 0 1 241.285 2.134 20 0 BEADMN C[C@@H](NC1(C2CCC2)CC1)c1nccc(N)n1 ZINC000653778926 411168274 /nfs/dbraw/zinc/16/82/74/411168274.db2.gz ITGHASWMABDVGA-SECBINFHSA-N 0 1 232.331 2.042 20 0 BEADMN Fc1cccnc1CN[C@@H]1COC2(CCC2)C1 ZINC000657933356 411172315 /nfs/dbraw/zinc/17/23/15/411172315.db2.gz TYXRPOCIRSGTRR-JTQLQIEISA-N 0 1 236.290 2.022 20 0 BEADMN Cc1nocc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000335983681 411242603 /nfs/dbraw/zinc/24/26/03/411242603.db2.gz UOOMEJDJTGGCFC-RKDXNWHRSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@@H](NCc1cocn1)C(C)(C)C(F)F ZINC000657948364 411177923 /nfs/dbraw/zinc/17/79/23/411177923.db2.gz SUNLFFBPQIFBJW-SSDOTTSWSA-N 0 1 218.247 2.444 20 0 BEADMN CCC[C@@H](NC(=O)[C@H](C)N(C)C)C(C)(C)C ZINC000653798477 411183655 /nfs/dbraw/zinc/18/36/55/411183655.db2.gz DJLAENNVVKUHKT-WDEREUQCSA-N 0 1 228.380 2.268 20 0 BEADMN C[C@H](COCC1CC1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000652286752 411187689 /nfs/dbraw/zinc/18/76/89/411187689.db2.gz DNYFUDXVIGMTJP-MDZLAQPJSA-N 0 1 249.358 2.294 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H](C)COCC1CC1 ZINC000652287074 411188041 /nfs/dbraw/zinc/18/80/41/411188041.db2.gz MPEWCRBTAMNLOB-ZYHUDNBSSA-N 0 1 249.358 2.251 20 0 BEADMN O[C@H](CC1CCCC1)CN1CC2(CC2(F)F)C1 ZINC000656154588 411188113 /nfs/dbraw/zinc/18/81/13/411188113.db2.gz OAUGSKHWIPUYPH-LLVKDONJSA-N 0 1 245.313 2.269 20 0 BEADMN C[C@H](COCC1CC1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000652286754 411188387 /nfs/dbraw/zinc/18/83/87/411188387.db2.gz DNYFUDXVIGMTJP-NTZNESFSSA-N 0 1 249.358 2.294 20 0 BEADMN CC(C)=CCN[C@@H]1CCCn2ccnc21 ZINC000655760172 411191440 /nfs/dbraw/zinc/19/14/40/411191440.db2.gz LHQVCCZAXYACMK-LLVKDONJSA-N 0 1 205.305 2.274 20 0 BEADMN C[C@H](N[C@H](CO)CCF)c1ccncc1Cl ZINC000652300832 411192452 /nfs/dbraw/zinc/19/24/52/411192452.db2.gz MIRGVQBKZLRUQV-IUCAKERBSA-N 0 1 246.713 2.106 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(F)cn1 ZINC000402086703 411195838 /nfs/dbraw/zinc/19/58/38/411195838.db2.gz YHYUTPXRHWJPPP-WCABBAIRSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@H](NCCC1(CO)CCC1)c1cscn1 ZINC000652311588 411197678 /nfs/dbraw/zinc/19/76/78/411197678.db2.gz RBULJGZJQYIIEQ-JTQLQIEISA-N 0 1 240.372 2.346 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424190761 411245263 /nfs/dbraw/zinc/24/52/63/411245263.db2.gz GLDRWPNIPCRLFX-PYJNHQTQSA-N 0 1 235.302 2.391 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCC23CCC3)c2ncnn21 ZINC000658099871 411245381 /nfs/dbraw/zinc/24/53/81/411245381.db2.gz CDCKLGKOMFVCTJ-MXWKQRLJSA-N 0 1 232.331 2.206 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424190763 411245378 /nfs/dbraw/zinc/24/53/78/411245378.db2.gz GLDRWPNIPCRLFX-SCUASFONSA-N 0 1 235.302 2.391 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1COC2(CCC2)C1 ZINC000658028653 411205708 /nfs/dbraw/zinc/20/57/08/411205708.db2.gz LGHGZIGUWPKIOL-VXGBXAGGSA-N 0 1 249.358 2.265 20 0 BEADMN CC[C@@H](NCc1cc(C)on1)[C@H]1CCCCO1 ZINC000653881667 411207321 /nfs/dbraw/zinc/20/73/21/411207321.db2.gz ZYPQRGSDIMVKAC-CHWSQXEVSA-N 0 1 238.331 2.420 20 0 BEADMN COCc1cc(CN2CCC[C@H]2C2CC2)no1 ZINC000656433145 411245723 /nfs/dbraw/zinc/24/57/23/411245723.db2.gz FOQUNHUGSAHTNS-ZDUSSCGKSA-N 0 1 236.315 2.195 20 0 BEADMN Cn1cnnc1CN1CCC[C@H]1CC1CCCC1 ZINC000653892142 411210819 /nfs/dbraw/zinc/21/08/19/411210819.db2.gz AZMWFKOHQLQGGO-ZDUSSCGKSA-N 0 1 248.374 2.360 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCC2(C)C)c2ncnn21 ZINC000658101572 411246099 /nfs/dbraw/zinc/24/60/99/411246099.db2.gz LTVJLVNAYYIMEK-BBBLOLIVSA-N 0 1 220.320 2.062 20 0 BEADMN Cn1ncnc1C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653893340 411211881 /nfs/dbraw/zinc/21/18/81/411211881.db2.gz ZBFGDFQBVAHZKP-CYBMUJFWSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncnc1CN1CCC[C@@H]1CC1CCCC1 ZINC000653893340 411211884 /nfs/dbraw/zinc/21/18/84/411211884.db2.gz ZBFGDFQBVAHZKP-CYBMUJFWSA-N 0 1 248.374 2.360 20 0 BEADMN CCc1ncc(CN(C[C@H](C)O)C2CC2)s1 ZINC000656277546 411227417 /nfs/dbraw/zinc/22/74/17/411227417.db2.gz CEQUFEXIJGVGBH-VIFPVBQESA-N 0 1 240.372 2.051 20 0 BEADMN C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1C(=O)[O-] ZINC000309793890 411247865 /nfs/dbraw/zinc/24/78/65/411247865.db2.gz UXFZOBFBUFAQCB-QWRGUYRKSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1nc([C@H](C)N2CCC3(CCC3)C2)n[nH]1 ZINC000660000555 411165459 /nfs/dbraw/zinc/16/54/59/411165459.db2.gz XSBBYLPHUIHGMB-JTQLQIEISA-N 0 1 234.347 2.304 20 0 BEADMN Cc1ccccc1C1(NC(=O)CN(C)C)CCC1 ZINC000652513655 411262567 /nfs/dbraw/zinc/26/25/67/411262567.db2.gz GFRPSUAMEVJJMC-UHFFFAOYSA-N 0 1 246.354 2.052 20 0 BEADMN C[C@@H](NC/C=C\CO)c1cccc(F)c1F ZINC000658140578 411264750 /nfs/dbraw/zinc/26/47/50/411264750.db2.gz SROHYGISAZSWRO-PKRMOACSSA-N 0 1 227.254 2.164 20 0 BEADMN Cc1nnsc1CNC(C)(C)COC(C)C ZINC000396330045 411264894 /nfs/dbraw/zinc/26/48/94/411264894.db2.gz YDAVZTFRGKEKPH-UHFFFAOYSA-N 0 1 243.376 2.140 20 0 BEADMN CCNCc1cn([C@]2(C)CCCC[C@H]2C)nn1 ZINC000656459168 411269820 /nfs/dbraw/zinc/26/98/20/411269820.db2.gz PZNOOLVEMUAKFR-DGCLKSJQSA-N 0 1 236.363 2.313 20 0 BEADMN Cc1ccc(Cn2ccnc2CN)cc1C ZINC000051004013 411269866 /nfs/dbraw/zinc/26/98/66/411269866.db2.gz VFEFTASWZJGIDC-UHFFFAOYSA-N 0 1 215.300 2.007 20 0 BEADMN F[C@@H]1CCC[C@@H]1NCc1cncs1 ZINC000307077823 411272231 /nfs/dbraw/zinc/27/22/31/411272231.db2.gz PTRPVGPFCTVJDL-BDAKNGLRSA-N 0 1 200.282 2.123 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(C2CC2)no1 ZINC000660163899 411273541 /nfs/dbraw/zinc/27/35/41/411273541.db2.gz BEAXUWQVSYKMHT-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN CCO[C@H]1C[C@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000658162860 411276223 /nfs/dbraw/zinc/27/62/23/411276223.db2.gz WORHJTCEKQQNAW-DCAQKATOSA-N 0 1 224.304 2.201 20 0 BEADMN CN(CCOCC1CCCC1)Cc1cn[nH]c1 ZINC000656471591 411276224 /nfs/dbraw/zinc/27/62/24/411276224.db2.gz RBNQDAHBADLVNW-UHFFFAOYSA-N 0 1 237.347 2.048 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000659788636 411277244 /nfs/dbraw/zinc/27/72/44/411277244.db2.gz RDJPPJBEWGTPFC-LBPRGKRZSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000659789069 411278801 /nfs/dbraw/zinc/27/88/01/411278801.db2.gz PRUGPXTWMUFBHN-LBPRGKRZSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)=CCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000659790148 411279997 /nfs/dbraw/zinc/27/99/97/411279997.db2.gz XEBUGYAYNZPBGI-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN CCc1cc(C(=O)N2CCC23CCCC3)n[nH]1 ZINC000652579565 411280531 /nfs/dbraw/zinc/28/05/31/411280531.db2.gz BXBMXXXKHSWROT-UHFFFAOYSA-N 0 1 233.315 2.131 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)CCC(=O)[O-] ZINC000659791644 411283943 /nfs/dbraw/zinc/28/39/43/411283943.db2.gz JGVYJJPLHMQMLR-MRVPVSSYSA-N 0 1 223.263 2.074 20 0 BEADMN Cc1ccnc(C[N@H+](C)C2(C(=O)[O-])CCCC2)c1 ZINC000659792375 411284801 /nfs/dbraw/zinc/28/48/01/411284801.db2.gz XDFZYJYFRVVXQU-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H]1CCC[C@H](CN[C@@H]2CCCn3ccnc32)O1 ZINC000658214551 411295916 /nfs/dbraw/zinc/29/59/16/411295916.db2.gz BRXLONMYAIKUEA-JHJVBQTASA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1C[C@H](NC[C@H]2CCC[C@@H](C)O2)c2nccn21 ZINC000658216790 411296767 /nfs/dbraw/zinc/29/67/67/411296767.db2.gz UOXCSFRICVEAMO-LOWDOPEQSA-N 0 1 249.358 2.436 20 0 BEADMN CCCCN(C)[C@H](C)c1n[nH]c(CC)n1 ZINC000659814315 411301019 /nfs/dbraw/zinc/30/10/19/411301019.db2.gz PWLSBIMUSAQYSN-SECBINFHSA-N 0 1 210.325 2.160 20 0 BEADMN CC1(C)CC[C@@H]1c1nc([C@@H]2CCCN2)no1 ZINC000656560654 411303880 /nfs/dbraw/zinc/30/38/80/411303880.db2.gz DSCJGBNUZTWEPV-BDAKNGLRSA-N 0 1 221.304 2.398 20 0 BEADMN CC1(C)CC[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000656560657 411304275 /nfs/dbraw/zinc/30/42/75/411304275.db2.gz DSCJGBNUZTWEPV-RKDXNWHRSA-N 0 1 221.304 2.398 20 0 BEADMN O=C1CCCC12CCN(Cc1cccnc1)CC2 ZINC000661955521 411331080 /nfs/dbraw/zinc/33/10/80/411331080.db2.gz ZORVKFLUPBRUTF-UHFFFAOYSA-N 0 1 244.338 2.417 20 0 BEADMN CC1(C)CCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134268767 167900660 /nfs/dbraw/zinc/90/06/60/167900660.db2.gz KNPQBPUZHLLBGG-JTQLQIEISA-N 0 1 247.342 2.231 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1cnccn1 ZINC000656691906 411331211 /nfs/dbraw/zinc/33/12/11/411331211.db2.gz YSYOZQWKALVCRY-GRYCIOLGSA-N 0 1 235.331 2.085 20 0 BEADMN CCCc1ncc(CN[C@@H]2COC(C)(C)C2)o1 ZINC000418109666 411308281 /nfs/dbraw/zinc/30/82/81/411308281.db2.gz CWSJKCDFDHMFGJ-JTQLQIEISA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cc(OC)no1 ZINC000659826668 411309169 /nfs/dbraw/zinc/30/91/69/411309169.db2.gz JVTHMXYLXHPPJS-SNVBAGLBSA-N 0 1 224.304 2.448 20 0 BEADMN CCc1nn(C)cc1CN1CC2(C1)CCCC2 ZINC000656623211 411311150 /nfs/dbraw/zinc/31/11/50/411311150.db2.gz YTPYPAJPMUPUSG-UHFFFAOYSA-N 0 1 233.359 2.359 20 0 BEADMN C[C@H](NC[C@H](CO)CC1CC1)c1nccs1 ZINC000658246167 411311487 /nfs/dbraw/zinc/31/14/87/411311487.db2.gz BRLSRZWMDRQVKN-GXSJLCMTSA-N 0 1 240.372 2.202 20 0 BEADMN Oc1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000656693508 411331486 /nfs/dbraw/zinc/33/14/86/411331486.db2.gz FSHFILHXPCBRBE-UHFFFAOYSA-N 0 1 221.275 2.326 20 0 BEADMN CCc1nc([C@H](C)N2CCc3ccccc32)n[nH]1 ZINC000659828646 411311839 /nfs/dbraw/zinc/31/18/39/411311839.db2.gz IBGYQZJMFUXZHO-JTQLQIEISA-N 0 1 242.326 2.491 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@H](CO)CC2CC2)no1 ZINC000658254214 411316268 /nfs/dbraw/zinc/31/62/68/411316268.db2.gz QEVQZCKIHSKCKY-PWSUYJOCSA-N 0 1 238.331 2.042 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)[C@H](C)N(C)C ZINC000653757506 411332745 /nfs/dbraw/zinc/33/27/45/411332745.db2.gz KJBIDUBJVUUMSE-NEPJUHHUSA-N 0 1 226.364 2.188 20 0 BEADMN C[C@@H](O)CN1CCc2cccc(F)c2[C@@H]1C ZINC000656446259 411254725 /nfs/dbraw/zinc/25/47/25/411254725.db2.gz WJGKOHIOIGOIAM-ZJUUUORDSA-N 0 1 223.291 2.126 20 0 BEADMN CCOc1ccccc1[C@@H](C)NC/C=C/CO ZINC000658132570 411256219 /nfs/dbraw/zinc/25/62/19/411256219.db2.gz IRWNDHXABSAJRG-NNNHXZLVSA-N 0 1 235.327 2.284 20 0 BEADMN CC[C@H](NC/C=C/CO)c1ccccc1F ZINC000658132749 411256802 /nfs/dbraw/zinc/25/68/02/411256802.db2.gz BFJSXUALHBHJQZ-GFUIURDCSA-N 0 1 223.291 2.415 20 0 BEADMN CC(C)C[C@@H](NC/C=C/CO)c1ccccn1 ZINC000658132337 411256865 /nfs/dbraw/zinc/25/68/65/411256865.db2.gz HEJYBTMEQJETIK-VBROQKIQSA-N 0 1 234.343 2.307 20 0 BEADMN CO[C@@H]([C@@H](C)N[C@@H]1CCCn2ccnc21)C1CC1 ZINC000655774083 411256998 /nfs/dbraw/zinc/25/69/98/411256998.db2.gz PJPRYLDKQSPBOY-RTXFEEFZSA-N 0 1 249.358 2.121 20 0 BEADMN Cc1cc(CN[C@H]2CC[C@@H](C)SC2)no1 ZINC000655706971 411257088 /nfs/dbraw/zinc/25/70/88/411257088.db2.gz PXSAISQRJISAPL-ZJUUUORDSA-N 0 1 226.345 2.357 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)ccn1 ZINC000652492087 411257483 /nfs/dbraw/zinc/25/74/83/411257483.db2.gz WLODJDLXGTZRBF-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])nc1 ZINC000652502585 411259156 /nfs/dbraw/zinc/25/91/56/411259156.db2.gz FMILNRAYPOPFHZ-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000652502725 411259966 /nfs/dbraw/zinc/25/99/66/411259966.db2.gz VKSFYYPSRXKJDW-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000652502726 411260125 /nfs/dbraw/zinc/26/01/25/411260125.db2.gz VKSFYYPSRXKJDW-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)CCn1cc([C@@H](N)c2ccccc2)nn1 ZINC000656442123 411260583 /nfs/dbraw/zinc/26/05/83/411260583.db2.gz BCNMMJITFDNKTL-AWEZNQCLSA-N 0 1 244.342 2.372 20 0 BEADMN C[C@H](N[C@H]1C[C@H](O)C1)c1cc(F)ccc1F ZINC000658348928 411350514 /nfs/dbraw/zinc/35/05/14/411350514.db2.gz DPLJFGPPGFKWHN-HGNGGELXSA-N 0 1 227.254 2.139 20 0 BEADMN CC1(CNc2cc3c(cn2)CCC3)COC1 ZINC000334973658 168046778 /nfs/dbraw/zinc/04/67/78/168046778.db2.gz NUXGBGUJBHHUCV-UHFFFAOYSA-N 0 1 218.300 2.019 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1CC2CC1(C(=O)[O-])C2 ZINC000656759837 411354451 /nfs/dbraw/zinc/35/44/51/411354451.db2.gz ICMGFWLPWFEDST-UHFFFAOYSA-N 0 1 245.322 2.352 20 0 BEADMN CCc1ccc(C)nc1NCc1cnnn1CC ZINC000656779168 411358984 /nfs/dbraw/zinc/35/89/84/411358984.db2.gz QZDDKNSZWNZLCF-UHFFFAOYSA-N 0 1 245.330 2.176 20 0 BEADMN CCC[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000070947177 411369909 /nfs/dbraw/zinc/36/99/09/411369909.db2.gz IPOBSKWBIQNWCK-IUCAKERBSA-N 0 1 209.293 2.398 20 0 BEADMN CC(C)(C)Cc1nc([C@H]2CCCN2)no1 ZINC000070947038 411370630 /nfs/dbraw/zinc/37/06/30/411370630.db2.gz RAKAKQGBPQUJAE-MRVPVSSYSA-N 0 1 209.293 2.083 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000658329929 411337468 /nfs/dbraw/zinc/33/74/68/411337468.db2.gz BCAQTIRLXIMTKN-AXTRIDKLSA-N 0 1 224.279 2.049 20 0 BEADMN CC1(C)[C@H](NCc2c(F)cccc2F)C[C@@H]1O ZINC000129613764 168001086 /nfs/dbraw/zinc/00/10/86/168001086.db2.gz GHSNNWWHYMVPTP-NEPJUHHUSA-N 0 1 241.281 2.214 20 0 BEADMN CCc1ccc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656760934 411345051 /nfs/dbraw/zinc/34/50/51/411345051.db2.gz MBVOJYLXDBFPMZ-UHFFFAOYSA-N 0 1 245.322 2.298 20 0 BEADMN CC1(CN2CCOC[C@H]2c2ccccc2)COC1 ZINC000336709661 168025387 /nfs/dbraw/zinc/02/53/87/168025387.db2.gz MHIPUFLGMQNIPH-AWEZNQCLSA-N 0 1 247.338 2.096 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CC2)[C@H]2CCCC[C@@H]12 ZINC000656763431 411347088 /nfs/dbraw/zinc/34/70/88/411347088.db2.gz FNYLHAXSNDWJOM-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@](N)(C(=O)NCC1(C)CCC1)c1ccccc1 ZINC000192494231 168036894 /nfs/dbraw/zinc/03/68/94/168036894.db2.gz XGIYODIVEIQTEO-OAHLLOKOSA-N 0 1 246.354 2.167 20 0 BEADMN CC1(CNc2ncnc3[nH]cnc32)CCCC1 ZINC000066468054 168049372 /nfs/dbraw/zinc/04/93/72/168049372.db2.gz KRPDMRHRKSIYED-UHFFFAOYSA-N 0 1 231.303 2.345 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC(F)F)[C@@H]2CCCC[C@H]12 ZINC000656765274 411348355 /nfs/dbraw/zinc/34/83/55/411348355.db2.gz JHQOHBZQJNAEDD-OPRDCNLKSA-N 0 1 247.285 2.217 20 0 BEADMN CCC1(CC)CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000656764223 411348644 /nfs/dbraw/zinc/34/86/44/411348644.db2.gz WLFZHDFUCDUSQD-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCC1 ZINC000268137125 168057751 /nfs/dbraw/zinc/05/77/51/168057751.db2.gz HEHPMEAPKVMDKP-SNVBAGLBSA-N 0 1 247.342 2.279 20 0 BEADMN CC1(NC(=O)c2ccc(CN)o2)CCCCC1 ZINC000094571032 168061443 /nfs/dbraw/zinc/06/14/43/168061443.db2.gz YRSXPFQHNRPOHB-UHFFFAOYSA-N 0 1 236.315 2.191 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@H](CCF)C1 ZINC000656763891 411348950 /nfs/dbraw/zinc/34/89/50/411348950.db2.gz SOVWGPNSYBQTBN-LLVKDONJSA-N 0 1 231.311 2.313 20 0 BEADMN CCCN(CC)Cc1cc(OC)ns1 ZINC000659857273 411348968 /nfs/dbraw/zinc/34/89/68/411348968.db2.gz MEHJNYPLZKZMSI-UHFFFAOYSA-N 0 1 214.334 2.384 20 0 BEADMN CC1(NCc2csnn2)CCCCC1 ZINC000045042732 168064350 /nfs/dbraw/zinc/06/43/50/168064350.db2.gz KWQYPBBZEUMTLH-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN CC1(NCc2csnn2)Cc2ccccc2C1 ZINC000182663583 168064094 /nfs/dbraw/zinc/06/40/94/168064094.db2.gz CVQPZNQDPPBCGR-UHFFFAOYSA-N 0 1 245.351 2.185 20 0 BEADMN CC1=C(C(=O)N2CCN(C3CCC3)CC2)CCC1 ZINC000336633773 168075009 /nfs/dbraw/zinc/07/50/09/168075009.db2.gz XOTJYVSSIMFOOJ-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN CC1=C(C)CN(CC(=O)N2CCCCC2)CC1 ZINC000336462195 168082638 /nfs/dbraw/zinc/08/26/38/168082638.db2.gz HYLSWJNWBBYUMC-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CC1=C(c2ccco2)CN(Cc2c[nH]nn2)CC1 ZINC000336257128 168089164 /nfs/dbraw/zinc/08/91/64/168089164.db2.gz GXVPBAARBNAUOE-UHFFFAOYSA-N 0 1 244.298 2.077 20 0 BEADMN CC1=CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000336620015 168096640 /nfs/dbraw/zinc/09/66/40/168096640.db2.gz JOTWIHSGPBRLRP-NSHDSACASA-N 0 1 245.326 2.008 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1nnc[nH]1 ZINC000191074492 168103400 /nfs/dbraw/zinc/10/34/00/168103400.db2.gz VXBFXEZHMLBRDA-RYUDHWBXSA-N 0 1 234.347 2.229 20 0 BEADMN CC1=CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000270031595 168108022 /nfs/dbraw/zinc/10/80/22/168108022.db2.gz BANKAMLLPFMOSD-NSHDSACASA-N 0 1 245.326 2.008 20 0 BEADMN CC1=CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000270053689 168108886 /nfs/dbraw/zinc/10/88/86/168108886.db2.gz FIMZCPXPRREEGZ-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CCCOC2)c(C)o1 ZINC000659910185 411380287 /nfs/dbraw/zinc/38/02/87/411380287.db2.gz RRYZEZUCAMSWDC-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN CC1=CCN([C@H](C)c2cnccn2)CC1 ZINC000274314574 168116744 /nfs/dbraw/zinc/11/67/44/168116744.db2.gz GUHONQIDYYXIJO-LLVKDONJSA-N 0 1 203.289 2.190 20 0 BEADMN CCCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662228577 411381014 /nfs/dbraw/zinc/38/10/14/411381014.db2.gz ICZHTYQBWADGRG-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN[C@H](C)c2ncn(C)n2)C1 ZINC000289404667 168131109 /nfs/dbraw/zinc/13/11/09/168131109.db2.gz AUSRMRNRKXKGEO-UHTWSYAYSA-N 0 1 248.374 2.458 20 0 BEADMN CC[C@@H]1CN([C@H]2COC(C)(C)C2)C[C@@H](C)O1 ZINC000659916632 411381395 /nfs/dbraw/zinc/38/13/95/411381395.db2.gz CTYSPTJHMZZXQV-IJLUTSLNSA-N 0 1 227.348 2.053 20 0 BEADMN CC1CC(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000080041706 168145065 /nfs/dbraw/zinc/14/50/65/168145065.db2.gz JFYCJVCDURMXEV-UHFFFAOYSA-N 0 1 229.283 2.091 20 0 BEADMN CC1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000131682482 168176199 /nfs/dbraw/zinc/17/61/99/168176199.db2.gz SDDLFGCKDOZOKM-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN CC1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000076453021 168177868 /nfs/dbraw/zinc/17/78/68/168177868.db2.gz GWVIYFINOVZAMT-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC(C)N(C)c1ccc(CN2CC(C)C2)cn1 ZINC000338956547 168191864 /nfs/dbraw/zinc/19/18/64/168191864.db2.gz JUEBLGXOSWCZHX-UHFFFAOYSA-N 0 1 233.359 2.378 20 0 BEADMN CCC(=CC(=O)N[C@@H](C)c1n[nH]c(C)n1)CC ZINC000286253591 168194452 /nfs/dbraw/zinc/19/44/52/168194452.db2.gz FCOOEVDSUUHBSR-QMMMGPOBSA-N 0 1 236.319 2.037 20 0 BEADMN CCC(=O)CCCN(CC)Cc1cnn(C)c1 ZINC000290110985 168198612 /nfs/dbraw/zinc/19/86/12/168198612.db2.gz SSZNBVLFKMZOCF-UHFFFAOYSA-N 0 1 237.347 2.001 20 0 BEADMN CCC(=O)CCN(C)Cc1occc1C ZINC000292113428 168199930 /nfs/dbraw/zinc/19/99/30/168199930.db2.gz HDNNFSDKPLQVQP-UHFFFAOYSA-N 0 1 209.289 2.389 20 0 BEADMN CCC(=O)CCN1CCCC[C@@H]1c1ccnn1C ZINC000370019531 168203932 /nfs/dbraw/zinc/20/39/32/168203932.db2.gz LEYMLYXPGXTZDT-CQSZACIVSA-N 0 1 249.358 2.316 20 0 BEADMN CCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000336335084 168241456 /nfs/dbraw/zinc/24/14/56/168241456.db2.gz DYQICHWBPGZGRJ-UHFFFAOYSA-N 0 1 203.192 2.004 20 0 BEADMN CCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000028789928 168246603 /nfs/dbraw/zinc/24/66/03/168246603.db2.gz OHASCZKUBLVWSZ-UHFFFAOYSA-N 0 1 230.271 2.129 20 0 BEADMN CCC(C)(C)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000339472037 168273444 /nfs/dbraw/zinc/27/34/44/168273444.db2.gz LIVKNCQVHBFTDS-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000192226962 168280716 /nfs/dbraw/zinc/28/07/16/168280716.db2.gz SIGHJJUZJHNTCE-SNVBAGLBSA-N 0 1 249.358 2.382 20 0 BEADMN CCC(C)(C)CNCc1cc(COC)on1 ZINC000298201898 168281632 /nfs/dbraw/zinc/28/16/32/168281632.db2.gz YBRIFJFHIHYYRI-UHFFFAOYSA-N 0 1 226.320 2.347 20 0 BEADMN CCC(C)(C)CNC(=O)c1[nH]nc2c1CCC2 ZINC000277044990 168282163 /nfs/dbraw/zinc/28/21/63/168282163.db2.gz PPXLGOIGWXNZMC-UHFFFAOYSA-N 0 1 235.331 2.064 20 0 BEADMN CCC(C)(C)N(C)Cc1nccnc1OC ZINC000294956860 168287786 /nfs/dbraw/zinc/28/77/86/168287786.db2.gz VVVWKSSTRSEVGF-UHFFFAOYSA-N 0 1 223.320 2.106 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC(=O)[O-])C(C)C ZINC000659788097 411454859 /nfs/dbraw/zinc/45/48/59/411454859.db2.gz IDUXVKVHBXWCJH-SECBINFHSA-N 0 1 237.290 2.463 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H]1C ZINC000339570441 168295209 /nfs/dbraw/zinc/29/52/09/168295209.db2.gz YEIIBGQCMFAZOQ-MXWKQRLJSA-N 0 1 226.364 2.020 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000336533030 168295613 /nfs/dbraw/zinc/29/56/13/168295613.db2.gz MUIILAGLIOOGTQ-SECBINFHSA-N 0 1 235.331 2.134 20 0 BEADMN CCC(C)(C)NC(=O)c1n[nH]c2ccccc21 ZINC000042065495 168297919 /nfs/dbraw/zinc/29/79/19/168297919.db2.gz BZHDARNWGQSELD-UHFFFAOYSA-N 0 1 231.299 2.481 20 0 BEADMN CCC(C)(C)NCc1cc(COC)on1 ZINC000298324053 168299408 /nfs/dbraw/zinc/29/94/08/168299408.db2.gz ILVBSEHDKOLEQO-UHFFFAOYSA-N 0 1 212.293 2.099 20 0 BEADMN CC(C)=CCC[N@@H+](CC(=O)[O-])C1CCC1 ZINC000659793021 411456159 /nfs/dbraw/zinc/45/61/59/411456159.db2.gz WWCRNNGZQDESQQ-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799573 411456557 /nfs/dbraw/zinc/45/65/57/411456557.db2.gz FNYPDLDZSCKMML-UPJWGTAASA-N 0 1 231.295 2.154 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CC=CC1)C1CCC1 ZINC000659795201 411456787 /nfs/dbraw/zinc/45/67/87/411456787.db2.gz RTUBRDWEKMQPKE-SNVBAGLBSA-N 0 1 223.316 2.280 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ccncc1 ZINC000659797120 411457282 /nfs/dbraw/zinc/45/72/82/411457282.db2.gz DSAXIACPGQMNCY-MDZLAQPJSA-N 0 1 248.326 2.155 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659800960 411457593 /nfs/dbraw/zinc/45/75/93/411457593.db2.gz BTDINUOPDMUZCQ-UTUOFQBUSA-N 0 1 227.348 2.464 20 0 BEADMN C[N@@H+](C/C=C/c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802058 411458251 /nfs/dbraw/zinc/45/82/51/411458251.db2.gz PNJUNXOGVYUZCW-CSEUZHBESA-N 0 1 245.322 2.495 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659801319 411458383 /nfs/dbraw/zinc/45/83/83/411458383.db2.gz OJXKUYRNCFOPFN-RVAOTSRCSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000659803122 411458923 /nfs/dbraw/zinc/45/89/23/411458923.db2.gz COYWBKBCWJDAJC-BETUJISGSA-N 0 1 233.311 2.290 20 0 BEADMN Cc1ccc(CN(C)C(=O)[C@H](C)N(C)C)cc1C ZINC000654460142 411400238 /nfs/dbraw/zinc/40/02/38/411400238.db2.gz DKELKTJAYFQTKY-ZDUSSCGKSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)[C@H]1CCC[C@H](C)C1 ZINC000654484658 411404242 /nfs/dbraw/zinc/40/42/42/411404242.db2.gz YERSMSIBTRVSSQ-CYDGBPFRSA-N 0 1 240.391 2.268 20 0 BEADMN C=C[C@@H](C(=O)[O-])[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404988974 411413576 /nfs/dbraw/zinc/41/35/76/411413576.db2.gz FZHAFKVUGNAYMC-FZMZJTMJSA-N 0 1 245.322 2.287 20 0 BEADMN Cc1nsc(C)c1CN1CCCOC[C@H]1C ZINC000653586859 411427764 /nfs/dbraw/zinc/42/77/64/411427764.db2.gz FFKWTTZWXSQTJV-SECBINFHSA-N 0 1 240.372 2.371 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881639 411430559 /nfs/dbraw/zinc/43/05/59/411430559.db2.gz NCQYTNQBOBNUJA-NHYWBVRUSA-N 0 1 246.354 2.117 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881038 411430614 /nfs/dbraw/zinc/43/06/14/411430614.db2.gz RPUFSIBZQGOFGD-FZMZJTMJSA-N 0 1 234.343 2.165 20 0 BEADMN CCc1nc([C@@H](C)Sc2ncco2)n[nH]1 ZINC000657259190 411431657 /nfs/dbraw/zinc/43/16/57/411431657.db2.gz LZEHRCVQRPFVBL-ZCFIWIBFSA-N 0 1 224.289 2.208 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@@H]2CO)cn1 ZINC000405632353 411437352 /nfs/dbraw/zinc/43/73/52/411437352.db2.gz MXMRTKRMTCCKLV-CQSZACIVSA-N 0 1 234.343 2.127 20 0 BEADMN C[C@H](N[C@@H]1CCCn2ccnc21)[C@@H]1CCCCO1 ZINC000655747425 411448512 /nfs/dbraw/zinc/44/85/12/411448512.db2.gz FNBSGXKYHLKBBN-XQQFMLRXSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](N[C@@H]1CCCn2ccnc21)[C@H]1CCCCO1 ZINC000655747426 411448569 /nfs/dbraw/zinc/44/85/69/411448569.db2.gz FNBSGXKYHLKBBN-YNEHKIRRSA-N 0 1 249.358 2.265 20 0 BEADMN FC(F)(F)CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657293577 411450119 /nfs/dbraw/zinc/45/01/19/411450119.db2.gz DQNTUGIFLXLKNY-BDAKNGLRSA-N 0 1 223.238 2.050 20 0 BEADMN FC(F)(F)CCN1CCC[C@@H]2COC[C@@H]21 ZINC000657293577 411450120 /nfs/dbraw/zinc/45/01/20/411450120.db2.gz DQNTUGIFLXLKNY-BDAKNGLRSA-N 0 1 223.238 2.050 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000659786122 411453622 /nfs/dbraw/zinc/45/36/22/411453622.db2.gz LDNGMFUFMUKFKB-IUCAKERBSA-N 0 1 237.290 2.320 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000659786711 411454323 /nfs/dbraw/zinc/45/43/23/411454323.db2.gz YCPXKFQIJZHGKP-HTQZYQBOSA-N 0 1 223.263 2.073 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+](CC(=O)[O-])CC1CC1 ZINC000659788999 411454495 /nfs/dbraw/zinc/45/44/95/411454495.db2.gz OVDMHHIFFBBQIQ-SECBINFHSA-N 0 1 249.301 2.464 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000659788472 411454705 /nfs/dbraw/zinc/45/47/05/411454705.db2.gz IQXXJFJOWUFNFC-JOYOIKCWSA-N 0 1 249.301 2.464 20 0 BEADMN O=C([O-])[C@@H]1CSCC[N@H+]1CCCC1CCC1 ZINC000659789396 411454775 /nfs/dbraw/zinc/45/47/75/411454775.db2.gz DGRFJQWKYHTDPU-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H](CC)CC(F)F ZINC000659787521 411454805 /nfs/dbraw/zinc/45/48/05/411454805.db2.gz BIEUQCXIEDTUSJ-SECBINFHSA-N 0 1 237.290 2.464 20 0 BEADMN CCN(Cc1cccs1)C(=O)c1cnc[nH]1 ZINC000338028248 169923577 /nfs/dbraw/zinc/92/35/77/169923577.db2.gz LPLOBSSZCAGKDT-UHFFFAOYSA-N 0 1 235.312 2.134 20 0 BEADMN Fc1ccc(CN[C@H]2CCCOC2)c(F)c1F ZINC000657352908 411474392 /nfs/dbraw/zinc/47/43/92/411474392.db2.gz NCCIMSAQJDYFFF-VIFPVBQESA-N 0 1 245.244 2.373 20 0 BEADMN CC[C@H]1C[C@@H](NCc2cc(C(C)C)no2)CO1 ZINC000657361102 411477439 /nfs/dbraw/zinc/47/74/39/411477439.db2.gz FPAHQDWLAHFWLU-MNOVXSKESA-N 0 1 238.331 2.455 20 0 BEADMN CCC[C@H](O)CNCc1ccc(F)c(F)c1F ZINC000657359297 411477458 /nfs/dbraw/zinc/47/74/58/411477458.db2.gz LIIFCCWXZHGCQB-VIFPVBQESA-N 0 1 247.260 2.355 20 0 BEADMN CN(Cc1ccoc1)[C@H]1COC(C)(C)C1 ZINC000659852155 411477648 /nfs/dbraw/zinc/47/76/48/411477648.db2.gz LYPKXCKDLGWXPL-LLVKDONJSA-N 0 1 209.289 2.279 20 0 BEADMN CCC1(CC)CN(Cc2ccc(CO)o2)C1 ZINC000297486272 411482427 /nfs/dbraw/zinc/48/24/27/411482427.db2.gz STFLMAAMNFRLGY-UHFFFAOYSA-N 0 1 223.316 2.394 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2nc(C)c[nH]2)C12CCC2 ZINC000657375285 411482743 /nfs/dbraw/zinc/48/27/43/411482743.db2.gz FXJQOSQYSIDBCS-NWDGAFQWSA-N 0 1 249.358 2.155 20 0 BEADMN CC[C@H]1C[C@@H](NCc2ncc(C)s2)CO1 ZINC000657375992 411486095 /nfs/dbraw/zinc/48/60/95/411486095.db2.gz HAHHDGDBELTUBJ-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCSC1 ZINC000657378213 411487206 /nfs/dbraw/zinc/48/72/06/411487206.db2.gz IKFJTNKCKVKRBJ-JTQLQIEISA-N 0 1 225.361 2.059 20 0 BEADMN FC(F)(F)CCNCc1ccnn1CC1CC1 ZINC000657385306 411489455 /nfs/dbraw/zinc/48/94/55/411489455.db2.gz SZPYSQCVMTZBNA-UHFFFAOYSA-N 0 1 247.264 2.335 20 0 BEADMN Cc1ccnc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000657393352 411489892 /nfs/dbraw/zinc/48/98/92/411489892.db2.gz DHHFIASFUAFQJR-RYUDHWBXSA-N 0 1 220.341 2.080 20 0 BEADMN CC(C)(C)O[C@H]1C[C@H](N[C@H]2CCn3ccnc32)C1 ZINC000655838874 411533678 /nfs/dbraw/zinc/53/36/78/411533678.db2.gz JXHZLDRIBRZFEF-SRVKXCTJSA-N 0 1 249.358 2.264 20 0 BEADMN CC(C)n1ccnc1CNC[C@@]1(C)CCCO1 ZINC000657397819 411494682 /nfs/dbraw/zinc/49/46/82/411494682.db2.gz VXMDOOQZIHRDNG-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@H]1CN(CC2CC(C)(C)C2)CCC1=O ZINC000528460801 411494736 /nfs/dbraw/zinc/49/47/36/411494736.db2.gz RCYYTURFHROIKV-JTQLQIEISA-N 0 1 209.333 2.334 20 0 BEADMN CO[C@H](CNCc1nc(C)c(C)[nH]1)CC(C)C ZINC000657493350 411534230 /nfs/dbraw/zinc/53/42/30/411534230.db2.gz BVQARLIURCBTRX-LBPRGKRZSA-N 0 1 239.363 2.177 20 0 BEADMN CC[C@@H]1C[C@H](NCc2ccc(Cl)cn2)CO1 ZINC000657428080 411503845 /nfs/dbraw/zinc/50/38/45/411503845.db2.gz XRZYGFLBIYJQCY-NWDGAFQWSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1cc(CN[C@H]2CCOC(C)(C)C2)no1 ZINC000069890495 411505201 /nfs/dbraw/zinc/50/52/01/411505201.db2.gz FESKSCUZHZAKOD-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@@H](O)[C@H]1CCCCN1Cc1coc(C)n1 ZINC000659945053 411505594 /nfs/dbraw/zinc/50/55/94/411505594.db2.gz ZAPBGKGRSCKACR-CHWSQXEVSA-N 0 1 238.331 2.108 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(C2CCC2)CC1 ZINC000655165951 411509666 /nfs/dbraw/zinc/50/96/66/411509666.db2.gz YCTMBWCSKZWORJ-SNVBAGLBSA-N 0 1 247.342 2.037 20 0 BEADMN CC1(C)C[C@@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)CO1 ZINC000660077858 411534673 /nfs/dbraw/zinc/53/46/73/411534673.db2.gz QOWOZFALETTWOD-NWDGAFQWSA-N 0 1 249.358 2.157 20 0 BEADMN CN(CCc1cccs1)Cc1cn(C)cn1 ZINC000659958391 411511942 /nfs/dbraw/zinc/51/19/42/411511942.db2.gz DNDMWHGUZPJUSB-UHFFFAOYSA-N 0 1 235.356 2.156 20 0 BEADMN CO[C@H](C)CNCc1ccc(F)c(F)c1F ZINC000657447218 411513907 /nfs/dbraw/zinc/51/39/07/411513907.db2.gz RMEQCYPNBLEGQJ-SSDOTTSWSA-N 0 1 233.233 2.228 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](CC)C2)[nH]1 ZINC000659997386 411523633 /nfs/dbraw/zinc/52/36/33/411523633.db2.gz SSQISNNZWHWQPO-NXEZZACHSA-N 0 1 222.336 2.160 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2C[C@H]2CC(C)C)n1 ZINC000657488480 411531474 /nfs/dbraw/zinc/53/14/74/411531474.db2.gz PWVIALXYVRTUIH-GHMZBOCLSA-N 0 1 207.321 2.242 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NCc1cc2n(n1)CCC2 ZINC000657488883 411531652 /nfs/dbraw/zinc/53/16/52/411531652.db2.gz WEXDMKWIQJUXIS-BXUZGUMPSA-N 0 1 233.359 2.354 20 0 BEADMN CCc1nc([C@@H](C)N(C)Cc2ccc(C)o2)n[nH]1 ZINC000659826970 411465657 /nfs/dbraw/zinc/46/56/57/411465657.db2.gz MGJJELOQMCTATP-SNVBAGLBSA-N 0 1 248.330 2.462 20 0 BEADMN CC[C@H](NCc1nc(C)c[nH]1)[C@@H]1CCCCO1 ZINC000657506291 411539973 /nfs/dbraw/zinc/53/99/73/411539973.db2.gz FMACCQMKUJVBBI-RYUDHWBXSA-N 0 1 237.347 2.155 20 0 BEADMN CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066851332 170040641 /nfs/dbraw/zinc/04/06/41/170040641.db2.gz FMLKNDRALPIKTC-WCQYABFASA-N 0 1 205.301 2.468 20 0 BEADMN CCNC(=O)CN(CC)Cc1cccc(C)c1C ZINC000119310460 170057691 /nfs/dbraw/zinc/05/76/91/170057691.db2.gz AJXLHKOACUCFFO-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCC[C@@H]1CN([C@@H]2COC(C)(C)C2)CCO1 ZINC000660131928 411542827 /nfs/dbraw/zinc/54/28/27/411542827.db2.gz DAIZYXGEGKLKEN-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](N[C@H]1CCn2ccnc21)[C@H]1CCCCO1 ZINC000655847145 411535593 /nfs/dbraw/zinc/53/55/93/411535593.db2.gz RFZFWPAURXDDIT-RWMBFGLXSA-N 0 1 249.358 2.265 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1noc2ccccc12 ZINC000655854729 411537752 /nfs/dbraw/zinc/53/77/52/411537752.db2.gz TYGQOCWFBSAUFE-NXEZZACHSA-N 0 1 234.299 2.341 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1noc2ccccc12 ZINC000655854732 411537762 /nfs/dbraw/zinc/53/77/62/411537762.db2.gz TYGQOCWFBSAUFE-ZJUUUORDSA-N 0 1 234.299 2.341 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(C2CC2)no1 ZINC000660167208 411550832 /nfs/dbraw/zinc/55/08/32/411550832.db2.gz CRDOASFAZGMVBZ-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN CCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000309674141 170143031 /nfs/dbraw/zinc/14/30/31/170143031.db2.gz XCQJDDKZVGWDSU-QMMMGPOBSA-N 0 1 242.344 2.299 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@H](C)[C@H](F)C2)n[nH]1 ZINC000660221524 411555682 /nfs/dbraw/zinc/55/56/82/411555682.db2.gz QEFSVRCEILNLMY-LPEHRKFASA-N 0 1 240.326 2.108 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1F ZINC000660221674 411555921 /nfs/dbraw/zinc/55/59/21/411555921.db2.gz QILBEPWDUOSXAE-ZWNOBZJWSA-N 0 1 222.307 2.449 20 0 BEADMN FC(F)[C@@H]1CCN(Cc2cncs2)C1 ZINC000660146485 411545545 /nfs/dbraw/zinc/54/55/45/411545545.db2.gz GSKMVQNSSCJLGF-SSDOTTSWSA-N 0 1 218.272 2.230 20 0 BEADMN CCc1nc([C@H](C)N2CC[C@H](C(F)F)C2)n[nH]1 ZINC000660146276 411545758 /nfs/dbraw/zinc/54/57/58/411545758.db2.gz FPXHEKQVMPSPDT-YUMQZZPRSA-N 0 1 244.289 2.015 20 0 BEADMN CCNc1cc(C(C)C)nc(NCC)n1 ZINC000302144147 170171062 /nfs/dbraw/zinc/17/10/62/170171062.db2.gz IJOJKBJHBQYPJO-UHFFFAOYSA-N 0 1 208.309 2.464 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C3CC3)C2)[nH]1 ZINC000660155561 411547707 /nfs/dbraw/zinc/54/77/07/411547707.db2.gz POTHIGLUYPVQOJ-ONGXEEELSA-N 0 1 234.347 2.160 20 0 BEADMN CC(C)(C)n1cc(CN[C@]23C[C@H]2CCC3)nn1 ZINC000657551370 411547894 /nfs/dbraw/zinc/54/78/94/411547894.db2.gz HJBPPMVUIMYKOT-ZWNOBZJWSA-N 0 1 234.347 2.065 20 0 BEADMN CCOC(=O)CCCN(C)Cc1occc1C ZINC000292394731 170201021 /nfs/dbraw/zinc/20/10/21/170201021.db2.gz SPPSWWXHVDSSAH-UHFFFAOYSA-N 0 1 239.315 2.363 20 0 BEADMN CCOC(=O)CCN(Cc1ccco1)C1CC1 ZINC000042294894 170204768 /nfs/dbraw/zinc/20/47/68/170204768.db2.gz MNJJNGNEUJQTQE-UHFFFAOYSA-N 0 1 237.299 2.197 20 0 BEADMN CC(C)OC[C@@H]1CN(CCC2CCC2)CCO1 ZINC000660304403 411566663 /nfs/dbraw/zinc/56/66/63/411566663.db2.gz DCKYENDSIWCQRZ-AWEZNQCLSA-N 0 1 241.375 2.302 20 0 BEADMN CCOC(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000338361198 170215875 /nfs/dbraw/zinc/21/58/75/170215875.db2.gz ZJEMNFDVUNZQGC-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(CCCSC)CC(C)C ZINC000173577595 170216505 /nfs/dbraw/zinc/21/65/05/170216505.db2.gz GKVOIICBWZCZCY-UHFFFAOYSA-N 0 1 247.404 2.261 20 0 BEADMN CC(C)Oc1ccccc1CNC/C=C/CO ZINC000657592143 411556510 /nfs/dbraw/zinc/55/65/10/411556510.db2.gz REXSUTZYNMOFKF-AATRIKPKSA-N 0 1 235.327 2.112 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC2(CC2)CC1 ZINC000378327291 170250454 /nfs/dbraw/zinc/25/04/54/170250454.db2.gz RKAXCONBXRXPFP-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@@H]2C2CC2)co1 ZINC000660251479 411560102 /nfs/dbraw/zinc/56/01/02/411560102.db2.gz IGHJSNDBZBODCO-CHWSQXEVSA-N 0 1 236.315 2.030 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000353592141 170265322 /nfs/dbraw/zinc/26/53/22/170265322.db2.gz POHHKUBUWNVDHL-NWDGAFQWSA-N 0 1 225.332 2.226 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000308425613 170266586 /nfs/dbraw/zinc/26/65/86/170266586.db2.gz WCNIURZNBCXQHB-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359563014 170267488 /nfs/dbraw/zinc/26/74/88/170267488.db2.gz SBJUEYRJJWMQLW-OBJOEFQTSA-N 0 1 239.359 2.450 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ncc(CC)s2)C1 ZINC000657609904 411562279 /nfs/dbraw/zinc/56/22/79/411562279.db2.gz MFXSDUZUCABHTG-MGCOHNPYSA-N 0 1 240.372 2.363 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ncc(Cl)s2)C1 ZINC000657609642 411562697 /nfs/dbraw/zinc/56/26/97/411562697.db2.gz HERYBQUEMQUZMH-ZKCHVHJHSA-N 0 1 246.763 2.454 20 0 BEADMN Cc1ccc(CNCCO[C@H]2CC2(F)F)o1 ZINC000657618584 411565312 /nfs/dbraw/zinc/56/53/12/411565312.db2.gz LVIUXCNWAALBCX-JTQLQIEISA-N 0 1 231.242 2.102 20 0 BEADMN Cc1nc(CN2CC[C@@H]3CCC[C@H]32)co1 ZINC000660332085 411570448 /nfs/dbraw/zinc/57/04/48/411570448.db2.gz GAFJQPUOXOOTDC-CMPLNLGQSA-N 0 1 206.289 2.357 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CCC=C(C)C ZINC000660335670 411571775 /nfs/dbraw/zinc/57/17/75/411571775.db2.gz ILBCLUJNKATDTD-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1nc(CN2[C@H](C)CC(O)C[C@H]2C)c(C)o1 ZINC000660367734 411572729 /nfs/dbraw/zinc/57/27/29/411572729.db2.gz MTMWCUFKLSYQKA-RKDXNWHRSA-N 0 1 238.331 2.025 20 0 BEADMN CCOC(C)(C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000345345076 170313392 /nfs/dbraw/zinc/31/33/92/170313392.db2.gz BQLIQFYFTBPUEF-WDEREUQCSA-N 0 1 237.347 2.294 20 0 BEADMN CCOC(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000285336253 170313572 /nfs/dbraw/zinc/31/35/72/170313572.db2.gz UNHZAEFIPXDTFJ-JTQLQIEISA-N 0 1 226.320 2.449 20 0 BEADMN CCOC(C)(C)CNCc1cscn1 ZINC000159175228 170313826 /nfs/dbraw/zinc/31/38/26/170313826.db2.gz NSEQQKNRLFSTFI-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN CCOC(C)(C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000345345075 170314119 /nfs/dbraw/zinc/31/41/19/170314119.db2.gz BQLIQFYFTBPUEF-QWRGUYRKSA-N 0 1 237.347 2.294 20 0 BEADMN CCOC1(CNCc2cocn2)CCCC1 ZINC000292839523 170319092 /nfs/dbraw/zinc/31/90/92/170319092.db2.gz BAUGXOGBFWHPAS-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@]1(CNCc2cscn2)CC1(F)F ZINC000657670941 411575416 /nfs/dbraw/zinc/57/54/16/411575416.db2.gz YAJPIKWDFCLCAJ-QMMMGPOBSA-N 0 1 218.272 2.278 20 0 BEADMN CCOCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000299323597 170366668 /nfs/dbraw/zinc/36/66/68/170366668.db2.gz VSGUKHWLAOFNNA-UHFFFAOYSA-N 0 1 247.298 2.318 20 0 BEADMN CCOCCC[N@@H+](CC(C)C)C[C@@H](C)C(=O)[O-] ZINC000071739203 170371981 /nfs/dbraw/zinc/37/19/81/170371981.db2.gz QBLYSCURSUJFPH-GFCCVEGCSA-N 0 1 245.363 2.092 20 0 BEADMN CC(C)n1cc(CNCCC(C)(C)F)nn1 ZINC000657645461 411569118 /nfs/dbraw/zinc/56/91/18/411569118.db2.gz XHZPVTKTUNVDQS-UHFFFAOYSA-N 0 1 228.315 2.087 20 0 BEADMN CCOCCCN[C@@H](C)c1cc(C)on1 ZINC000282825782 170381563 /nfs/dbraw/zinc/38/15/63/170381563.db2.gz RZQOZDKQHDXODO-JTQLQIEISA-N 0 1 212.293 2.060 20 0 BEADMN CCOCCN(C)Cc1ccccc1OC ZINC000268351949 170390222 /nfs/dbraw/zinc/39/02/22/170390222.db2.gz WOAJOSKKMYITDK-UHFFFAOYSA-N 0 1 223.316 2.164 20 0 BEADMN CCOCCN(C)Cc1ccc(CC)o1 ZINC000181489999 170390567 /nfs/dbraw/zinc/39/05/67/170390567.db2.gz ZBWLNJAMOGGJOE-UHFFFAOYSA-N 0 1 211.305 2.310 20 0 BEADMN C[N@H+](Cc1ccoc1C(=O)[O-])C[C@H]1CC1(C)C ZINC000663318275 411624145 /nfs/dbraw/zinc/62/41/45/411624145.db2.gz UZPVGSCHKPLHLL-SNVBAGLBSA-N 0 1 237.299 2.456 20 0 BEADMN FCCOCCNCc1cc(F)ccc1F ZINC000663340245 411628999 /nfs/dbraw/zinc/62/89/99/411628999.db2.gz MHSBAPHMVJMQEQ-UHFFFAOYSA-N 0 1 233.233 2.041 20 0 BEADMN Cc1cc(F)c(CNCCOCCF)c(F)c1 ZINC000663339255 411629148 /nfs/dbraw/zinc/62/91/48/411629148.db2.gz VGAZHRNMQKUGEU-UHFFFAOYSA-N 0 1 247.260 2.349 20 0 BEADMN CC[C@@]1(CO)CCCN1Cc1nc(C)oc1C ZINC000660378875 411576285 /nfs/dbraw/zinc/57/62/85/411576285.db2.gz NSQDKPSMYBGKFG-ZDUSSCGKSA-N 0 1 238.331 2.028 20 0 BEADMN CCn1ccnc1CNC[C@]1(C)CC1(F)F ZINC000657663011 411576437 /nfs/dbraw/zinc/57/64/37/411576437.db2.gz AKKMIEVWDCSFQC-JTQLQIEISA-N 0 1 229.274 2.038 20 0 BEADMN CCN(CC(N)=O)Cc1cccc(C(C)(C)C)c1 ZINC000660392581 411578678 /nfs/dbraw/zinc/57/86/78/411578678.db2.gz HDSBIPXBTSQAAD-UHFFFAOYSA-N 0 1 248.370 2.291 20 0 BEADMN COc1cc(CN2CCS[C@@H](C)CC2)on1 ZINC000660412680 411581603 /nfs/dbraw/zinc/58/16/03/411581603.db2.gz KVMIKNHZLISEQL-VIFPVBQESA-N 0 1 242.344 2.011 20 0 BEADMN CO[C@@H](CN1CCOC[C@H]1C)C1CCCCC1 ZINC000660422725 411582675 /nfs/dbraw/zinc/58/26/75/411582675.db2.gz HIYRLTPIEBKWGU-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN O[C@@H]1C[C@H](NCc2ccc(Cl)o2)C12CCC2 ZINC000657703035 411583274 /nfs/dbraw/zinc/58/32/74/411583274.db2.gz KOOWLHUWPRNRRK-VHSXEESVSA-N 0 1 241.718 2.326 20 0 BEADMN COc1cc(CN2CC(C)=C[C@H](C)C2)on1 ZINC000660459407 411588500 /nfs/dbraw/zinc/58/85/00/411588500.db2.gz LUPGZHAOOHMIAY-VIFPVBQESA-N 0 1 222.288 2.081 20 0 BEADMN CCOC[C@H](C)NCc1ccc(Cl)o1 ZINC000044690841 170445762 /nfs/dbraw/zinc/44/57/62/170445762.db2.gz KSRMJCCCRQMTML-QMMMGPOBSA-N 0 1 217.696 2.448 20 0 BEADMN CC1(C)C[C@@]1(C)NCc1cc2n(n1)CCCC2 ZINC000657762233 411591694 /nfs/dbraw/zinc/59/16/94/411591694.db2.gz YBBBLZPCTVOMOX-CQSZACIVSA-N 0 1 233.359 2.498 20 0 BEADMN CC(C)n1cc(CNCC2=CCCC2)nn1 ZINC000657749801 411592459 /nfs/dbraw/zinc/59/24/59/411592459.db2.gz NMAAMCYSSPZLHF-UHFFFAOYSA-N 0 1 220.320 2.059 20 0 BEADMN Fc1ccc2c(c1)C[C@@H]1[C@@H](NCc3cocn3)[C@H]21 ZINC000657788045 411595998 /nfs/dbraw/zinc/59/59/98/411595998.db2.gz GYIUQLMBINZNBF-BFHYXJOUSA-N 0 1 244.269 2.242 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc2cccnc2o1 ZINC000657790986 411597609 /nfs/dbraw/zinc/59/76/09/411597609.db2.gz YWGSVQFGRGHBQL-YPMHNXCESA-N 0 1 232.283 2.095 20 0 BEADMN C[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H](C)N1C ZINC000660655845 411613558 /nfs/dbraw/zinc/61/35/58/411613558.db2.gz NIWPRINKCJYEMY-PHIMTYICSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1nc(CNC2(CCO)CCCC2)c(C)o1 ZINC000660683453 411617494 /nfs/dbraw/zinc/61/74/94/411617494.db2.gz GBTFCBVTXDOBPY-UHFFFAOYSA-N 0 1 238.331 2.076 20 0 BEADMN CCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660748082 411620407 /nfs/dbraw/zinc/62/04/07/411620407.db2.gz YIFZFUKDQQRABZ-UHFFFAOYSA-N 0 1 223.320 2.115 20 0 BEADMN COC[C@@H]1CCCN(Cc2coc(C)n2)CC1 ZINC000660757504 411621030 /nfs/dbraw/zinc/62/10/30/411621030.db2.gz MNLBMSIWUCRJJV-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000663316481 411623043 /nfs/dbraw/zinc/62/30/43/411623043.db2.gz FAKMWWZFLXOOHQ-WDEREUQCSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2n[n-]c(=O)o2)C1 ZINC000660843632 411653298 /nfs/dbraw/zinc/65/32/98/411653298.db2.gz BKKPLWCESVVJKC-NXEZZACHSA-N 0 1 239.319 2.033 20 0 BEADMN C[N@@H+](CCC1=CCCCC1)Cc1n[n-]c(=O)o1 ZINC000660843326 411654592 /nfs/dbraw/zinc/65/45/92/411654592.db2.gz GDYDCVOUSYOYNO-UHFFFAOYSA-N 0 1 237.303 2.098 20 0 BEADMN Cc1cc(C)cc(C[N@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660847890 411656757 /nfs/dbraw/zinc/65/67/57/411656757.db2.gz DQQIACOGYIRZCZ-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1cc(C)cc(C[N@@H+](C)Cc2n[n-]c(=O)o2)c1 ZINC000660847890 411656759 /nfs/dbraw/zinc/65/67/59/411656759.db2.gz DQQIACOGYIRZCZ-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC3(CC3)CC2)[nH]1 ZINC000663437439 411657649 /nfs/dbraw/zinc/65/76/49/411657649.db2.gz AFOREZGSYRTEDK-SECBINFHSA-N 0 1 220.320 2.050 20 0 BEADMN C[C@H](NCCOCCF)c1ccncc1Cl ZINC000663460622 411662184 /nfs/dbraw/zinc/66/21/84/411662184.db2.gz BSWSAPDMAJXVOU-VIFPVBQESA-N 0 1 246.713 2.372 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1nc(C)oc1C ZINC000660911708 411669020 /nfs/dbraw/zinc/66/90/20/411669020.db2.gz IVIUDHOIBSFHLY-NOZJJQNGSA-N 0 1 240.347 2.178 20 0 BEADMN CCc1nocc1CN(CC)[C@H]1CCCOC1 ZINC000660917962 411671626 /nfs/dbraw/zinc/67/16/26/411671626.db2.gz PXZUSBUKMRRRNO-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CC1(C)CCCC[C@H]1CN1CCn2nncc2C1 ZINC000660924095 411673927 /nfs/dbraw/zinc/67/39/27/411673927.db2.gz UHMGXYHIXLYJHC-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927986 411679828 /nfs/dbraw/zinc/67/98/28/411679828.db2.gz IFGAMTNWIGUKLJ-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN COc1ncccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660930425 411680569 /nfs/dbraw/zinc/68/05/69/411680569.db2.gz HKAGXOYJQONGQK-AAEUAGOBSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1nnsc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660930086 411681794 /nfs/dbraw/zinc/68/17/94/411681794.db2.gz FVVZNZNBGGGFIY-UWVGGRQHSA-N 0 1 223.345 2.221 20 0 BEADMN C[C@H](NCCc1cncs1)c1cscn1 ZINC000661414146 411771170 /nfs/dbraw/zinc/77/11/70/411771170.db2.gz KNSARPBBJJWDDV-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN CC(C)COCCN1CC2(CCC2)OC[C@H]1C ZINC000661460984 411780985 /nfs/dbraw/zinc/78/09/85/411780985.db2.gz AUSXDYZCYKVFBZ-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN COCCCCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661468348 411782410 /nfs/dbraw/zinc/78/24/10/411782410.db2.gz VMCLIAMCMCCNPX-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN COC(C)(C)CC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661470640 411783191 /nfs/dbraw/zinc/78/31/91/411783191.db2.gz UTCPEWBHWUJXRA-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1COC2(CCC2)C[N@H+]1C[C@H]1CCCOC1 ZINC000661466469 411783435 /nfs/dbraw/zinc/78/34/35/411783435.db2.gz QPCVOPAKZZMBFJ-QWHCGFSZSA-N 0 1 239.359 2.056 20 0 BEADMN Fc1ccc([C@@H]2CCN2CCn2ccnc2)cc1 ZINC000661513233 411793942 /nfs/dbraw/zinc/79/39/42/411793942.db2.gz NBEXWCFHHRUQRB-AWEZNQCLSA-N 0 1 245.301 2.469 20 0 BEADMN O=c1[nH]c(SCC2CC=CC2)nc2n[nH]cc21 ZINC000663944917 411784577 /nfs/dbraw/zinc/78/45/77/411784577.db2.gz MHDJTQUVEAUBBA-UHFFFAOYSA-N 0 1 248.311 2.117 20 0 BEADMN C[C@@H]1CCCN(Cc2nccs2)[C@H]1CCO ZINC000661497119 411789900 /nfs/dbraw/zinc/78/99/00/411789900.db2.gz HZXNVCLHVQISHC-MNOVXSKESA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H]1CCN(CCc2cncs2)C[C@@H]1F ZINC000663691377 411723957 /nfs/dbraw/zinc/72/39/57/411723957.db2.gz ULIJJNCPFAOGQX-ONGXEEELSA-N 0 1 228.336 2.366 20 0 BEADMN c1coc(C2CCN(Cc3cnc[nH]3)CC2)c1 ZINC000661161769 411724414 /nfs/dbraw/zinc/72/44/14/411724414.db2.gz XXPZQXINUNLUQQ-UHFFFAOYSA-N 0 1 231.299 2.382 20 0 BEADMN C[C@@]1(C2CC2)CN(CCc2ccccn2)CCO1 ZINC000661168238 411725580 /nfs/dbraw/zinc/72/55/80/411725580.db2.gz STWUEGJBGHEEHZ-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN CN(Cc1cnc[nH]1)c1ccnc(C(C)(C)C)n1 ZINC000664128590 411864352 /nfs/dbraw/zinc/86/43/52/411864352.db2.gz ZJBROSGIMBJRBW-UHFFFAOYSA-N 0 1 245.330 2.134 20 0 BEADMN C[C@@H]1CCC[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC000661745025 411864389 /nfs/dbraw/zinc/86/43/89/411864389.db2.gz NOXUVXUDFSHIOX-VXGBXAGGSA-N 0 1 236.363 2.073 20 0 BEADMN CN(Cc1cnc[nH]1)c1ncc(Cl)s1 ZINC000664128445 411865023 /nfs/dbraw/zinc/86/50/23/411865023.db2.gz YSDBZQMTNMLBOU-UHFFFAOYSA-N 0 1 228.708 2.156 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1ccc2cncn2c1 ZINC000288364829 170732161 /nfs/dbraw/zinc/73/21/61/170732161.db2.gz XBWWPGIEMRBISV-SNVBAGLBSA-N 0 1 247.298 2.136 20 0 BEADMN CCn1ccnc1CN1CCC[C@H](CCF)C1 ZINC000661688546 411838918 /nfs/dbraw/zinc/83/89/18/411838918.db2.gz DEFDTRTWPXWRGN-GFCCVEGCSA-N 0 1 239.338 2.475 20 0 BEADMN Cc1cnc([C@H](C)[N@H+]2C[C@@H]3COC[C@]3(C)C2)o1 ZINC000661697326 411842972 /nfs/dbraw/zinc/84/29/72/411842972.db2.gz ASDGZRJRVLFZSF-LOWVWBTDSA-N 0 1 236.315 2.012 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H]3COC[C@]3(C)C2)o1 ZINC000661697326 411842974 /nfs/dbraw/zinc/84/29/74/411842974.db2.gz ASDGZRJRVLFZSF-LOWVWBTDSA-N 0 1 236.315 2.012 20 0 BEADMN COc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000661695322 411843737 /nfs/dbraw/zinc/84/37/37/411843737.db2.gz GAHNZXBOUINLJE-HIFRSBDPSA-N 0 1 247.338 2.164 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2cccnc2)C[C@H](C)O1 ZINC000661852979 411903522 /nfs/dbraw/zinc/90/35/22/411903522.db2.gz NZLALCJKALZDCY-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H](C)[C@H](C)Nc1ncnc2[nH]cnc21 ZINC000042557225 170791910 /nfs/dbraw/zinc/79/19/10/170791910.db2.gz OOAJLKWCDDBTIF-SFYZADRCSA-N 0 1 219.292 2.199 20 0 BEADMN Cc1nccc(N[C@@H](C)C2(CO)CC2)c1Cl ZINC000664270961 411907591 /nfs/dbraw/zinc/90/75/91/411907591.db2.gz GQJSEQDHIWTYBM-VIFPVBQESA-N 0 1 240.734 2.038 20 0 BEADMN Cc1cnc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000661967872 411925749 /nfs/dbraw/zinc/92/57/49/411925749.db2.gz GLCTZOTVGIEAOH-UWVGGRQHSA-N 0 1 208.330 2.293 20 0 BEADMN C(c1noc2c1CCCC2)N1CC[C@H]2C[C@H]2C1 ZINC000661976571 411932452 /nfs/dbraw/zinc/93/24/52/411932452.db2.gz VHYVZTDKSCIOOY-QWRGUYRKSA-N 0 1 232.327 2.395 20 0 BEADMN Cc1noc(CN[C@H](C)C2CCC(F)CC2)n1 ZINC000661999128 411939653 /nfs/dbraw/zinc/93/96/53/411939653.db2.gz RIRCEPQADLUWQO-MFAVDMRSSA-N 0 1 241.310 2.384 20 0 BEADMN CC[C@@H](NCc1nc(C(F)F)no1)C1CC1 ZINC000661762973 411873143 /nfs/dbraw/zinc/87/31/43/411873143.db2.gz YSDBIBUKHXOPEO-SSDOTTSWSA-N 0 1 231.246 2.285 20 0 BEADMN c1c[nH]c(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000662046010 411964080 /nfs/dbraw/zinc/96/40/80/411964080.db2.gz YIOXEUFSVGMTSP-GFCCVEGCSA-N 0 1 219.332 2.422 20 0 BEADMN CC(C)CC1(NCc2cn(CC3CC3)nn2)CC1 ZINC000662066185 411967612 /nfs/dbraw/zinc/96/76/12/411967612.db2.gz DTZMIFGIEAPYOF-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN CC(C)CC1(N[C@H](C)c2nccc(N)n2)CC1 ZINC000662067533 411970047 /nfs/dbraw/zinc/97/00/47/411970047.db2.gz YOWFXIVGUDMIAW-SNVBAGLBSA-N 0 1 234.347 2.288 20 0 BEADMN CC1(C[N@H+]2CCc3nccnc3C2)CCC1 ZINC000662118929 411989942 /nfs/dbraw/zinc/98/99/42/411989942.db2.gz HXOFOYFBWOHRGD-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN CC1(CN2CCc3nccnc3C2)CCC1 ZINC000662118929 411989944 /nfs/dbraw/zinc/98/99/44/411989944.db2.gz HXOFOYFBWOHRGD-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2c1ncnc2[nH]cnc21 ZINC000664594234 411993804 /nfs/dbraw/zinc/99/38/04/411993804.db2.gz JDKXIYMWTXPECV-PBINXNQUSA-N 0 1 243.314 2.120 20 0 BEADMN C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662127729 411995174 /nfs/dbraw/zinc/99/51/74/411995174.db2.gz DFFSJLMCFKAAPT-HSTDOPHLSA-N 0 1 234.347 2.139 20 0 BEADMN Cc1noc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000662036336 411953884 /nfs/dbraw/zinc/95/38/84/411953884.db2.gz CDUAYGUOLXPRSY-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN c1c[nH]c(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000662046011 411963332 /nfs/dbraw/zinc/96/33/32/411963332.db2.gz YIOXEUFSVGMTSP-LBPRGKRZSA-N 0 1 219.332 2.422 20 0 BEADMN COC[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664825099 412026418 /nfs/dbraw/zinc/02/64/18/412026418.db2.gz GSHFJXKADCWXNY-DGCLKSJQSA-N 0 1 234.343 2.499 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664827978 412026635 /nfs/dbraw/zinc/02/66/35/412026635.db2.gz ARKJREASEKPMGA-YPMHNXCESA-N 0 1 234.343 2.235 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820000 412026716 /nfs/dbraw/zinc/02/67/16/412026716.db2.gz NNPZSCCNEYDWMF-DGCLKSJQSA-N 0 1 234.343 2.235 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000662213205 412027348 /nfs/dbraw/zinc/02/73/48/412027348.db2.gz UFWMKTGHYXWEAX-RYUDHWBXSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664827973 412027722 /nfs/dbraw/zinc/02/77/22/412027722.db2.gz ARKJREASEKPMGA-DGCLKSJQSA-N 0 1 234.343 2.235 20 0 BEADMN CC[N@@H+](CCc1ccc(C)cc1)[C@@H](C)C(=O)[O-] ZINC000662217886 412029397 /nfs/dbraw/zinc/02/93/97/412029397.db2.gz VTILHQFMNLOBSJ-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000662218335 412029930 /nfs/dbraw/zinc/02/99/30/412029930.db2.gz ZLWDHTUFACYJAG-RKDXNWHRSA-N 0 1 237.290 2.463 20 0 BEADMN CCC(CC)CCC[N@@H+](C)CC(=O)[O-] ZINC000662229059 412031838 /nfs/dbraw/zinc/03/18/38/412031838.db2.gz PAFZHDROXVYPSA-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1ccncc1CN1CCCc2n[nH]cc2C1 ZINC000664862875 412034009 /nfs/dbraw/zinc/03/40/09/412034009.db2.gz USWDUNFIOKNZPC-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN c1cc(CN2CCCc3n[nH]cc3C2)cs1 ZINC000664860274 412034851 /nfs/dbraw/zinc/03/48/51/412034851.db2.gz FRZAEVKBSFRDHT-UHFFFAOYSA-N 0 1 233.340 2.420 20 0 BEADMN C[C@@H]1CN(CC2CC2)C[C@H](CC(F)(F)F)O1 ZINC000662241351 412036850 /nfs/dbraw/zinc/03/68/50/412036850.db2.gz JUWQAZNHHXUSGX-SCZZXKLOSA-N 0 1 237.265 2.438 20 0 BEADMN CN(CC1=CCSC1)Cc1ccncc1 ZINC000662269114 412060119 /nfs/dbraw/zinc/06/01/19/412060119.db2.gz YNPPSRZQDVJTDB-UHFFFAOYSA-N 0 1 220.341 2.187 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000268014654 171008378 /nfs/dbraw/zinc/00/83/78/171008378.db2.gz RHNRDWCRLGPOHC-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(COC)on2)C1 ZINC000297635556 171011195 /nfs/dbraw/zinc/01/11/95/171011195.db2.gz ICHROYONDWZDQF-SNVBAGLBSA-N 0 1 224.304 2.053 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1c(O)cccc1F ZINC000293973867 171021043 /nfs/dbraw/zinc/02/10/43/171021043.db2.gz KMQBGPQQSBXQKP-MRVPVSSYSA-N 0 1 223.247 2.156 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000294163658 171021581 /nfs/dbraw/zinc/02/15/81/171021581.db2.gz VSZRNZKVSZEWFD-LLVKDONJSA-N 0 1 243.310 2.496 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)NCc2cnc[nH]2)CC1 ZINC000328370552 171031255 /nfs/dbraw/zinc/03/12/55/171031255.db2.gz WCFOZQSUKBPRLN-XYPYZODXSA-N 0 1 235.331 2.242 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nnc(C)[nH]2)C1 ZINC000336290973 171049919 /nfs/dbraw/zinc/04/99/19/171049919.db2.gz JPRQPCMCYMQVAA-GXSJLCMTSA-N 0 1 222.336 2.124 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1cnc(C)[nH]1 ZINC000271476792 171052745 /nfs/dbraw/zinc/05/27/45/171052745.db2.gz TVPBKVNZWZAGSZ-WCBMZHEXSA-N 0 1 221.304 2.121 20 0 BEADMN CC(C)CCO[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000665029761 412061893 /nfs/dbraw/zinc/06/18/93/412061893.db2.gz NMJBDBAKOLEQBC-CYBMUJFWSA-N 0 1 237.347 2.047 20 0 BEADMN CC[C@@H]1CN(CCC2CC2)C[C@H](C)[S@@]1=O ZINC000352872817 171077999 /nfs/dbraw/zinc/07/79/99/171077999.db2.gz WXHNCHNZCYUPOM-NVBFEUDRSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(CCOCC(C)C)C[C@@H](C)O1 ZINC000336668733 171081425 /nfs/dbraw/zinc/08/14/25/171081425.db2.gz RNICSXYDCRGHLZ-CHWSQXEVSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@@H]1CN(Cc2c(C)cnn2C)CCS1 ZINC000290177421 171085420 /nfs/dbraw/zinc/08/54/20/171085420.db2.gz YVERSRLZFRKQBO-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(CO)o2)CCS1 ZINC000093502247 171087373 /nfs/dbraw/zinc/08/73/73/171087373.db2.gz ODDWUTJKUBJMSM-GFCCVEGCSA-N 0 1 241.356 2.099 20 0 BEADMN CC[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC000271279285 171087918 /nfs/dbraw/zinc/08/79/18/171087918.db2.gz LPCIXWDZWBZHQJ-MFKMUULPSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(Cc2nc3ccccc3o2)C[C@@H]1O ZINC000336332764 171092128 /nfs/dbraw/zinc/09/21/28/171092128.db2.gz PSPXWXKKFDJBQE-PWSUYJOCSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@@H]1CN([C@@H](C)c2cnccn2)CCCO1 ZINC000281477324 171094728 /nfs/dbraw/zinc/09/47/28/171094728.db2.gz SCBLDBDCEKLLCB-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)c1ccccc1 ZINC000216598621 171110990 /nfs/dbraw/zinc/11/09/90/171110990.db2.gz PAVCWAMSFVAKSU-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1C[C@@H](CN(C)Cc2ccon2)CCO1 ZINC000356997520 171120629 /nfs/dbraw/zinc/12/06/29/171120629.db2.gz RQIKDZPIQOPPKE-WCQYABFASA-N 0 1 238.331 2.312 20 0 BEADMN CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OC[C@@H]2C)CCO1 ZINC000356998834 171130094 /nfs/dbraw/zinc/13/00/94/171130094.db2.gz UFFHCQIMGQMNJE-IGQOVBAYSA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@@H]1C[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000334623631 171143841 /nfs/dbraw/zinc/14/38/41/171143841.db2.gz LGGXCSAKONHJHG-RKDXNWHRSA-N 0 1 221.304 2.311 20 0 BEADMN CC[C@@](C)(O)CN(C)Cc1nc2ccccc2o1 ZINC000161927447 171178701 /nfs/dbraw/zinc/17/87/01/171178701.db2.gz KDXQLCWIOJWDCF-CQSZACIVSA-N 0 1 248.326 2.421 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2cc[nH]n2)C1 ZINC000093459068 171199546 /nfs/dbraw/zinc/19/95/46/171199546.db2.gz JTZCVVFIQRKJHB-LBPRGKRZSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@@]1(CO)CCCN1Cc1csc(C)n1 ZINC000189667873 171212094 /nfs/dbraw/zinc/21/20/94/171212094.db2.gz JHRFGGNVBGVQLC-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN CC[C@@]1(O)CCN(Cc2nc(C)c(C)s2)C1 ZINC000335192005 171214800 /nfs/dbraw/zinc/21/48/00/171214800.db2.gz BEJXNBGDFPCSBE-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN CC[C@H](C(=O)N(C)c1cccc(C)c1)N(C)C ZINC000268744218 171223316 /nfs/dbraw/zinc/22/33/16/171223316.db2.gz RKSNMYCEUWXDMD-CYBMUJFWSA-N 0 1 234.343 2.298 20 0 BEADMN CC[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)C ZINC000298206887 171225607 /nfs/dbraw/zinc/22/56/07/171225607.db2.gz IQFFJJVETBRNBB-DGCLKSJQSA-N 0 1 246.354 2.304 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cccs1 ZINC000042487907 171236183 /nfs/dbraw/zinc/23/61/83/171236183.db2.gz KLNLHBONFAHNLV-SNVBAGLBSA-N 0 1 227.329 2.433 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599806 171237763 /nfs/dbraw/zinc/23/77/63/171237763.db2.gz QIODVIUOPVKGGK-QWHCGFSZSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@H](C(N)=O)N1CCC(C)=C(c2ccco2)C1 ZINC000374511385 171243670 /nfs/dbraw/zinc/24/36/70/171243670.db2.gz BPMQPUUDCPJEAN-GFCCVEGCSA-N 0 1 248.326 2.023 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358711436 171265975 /nfs/dbraw/zinc/26/59/75/171265975.db2.gz HDALOTCETXDNJD-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000354233900 171267436 /nfs/dbraw/zinc/26/74/36/171267436.db2.gz ALXFDDGVWHJGOI-WDEREUQCSA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@H](C)CN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352892760 171283324 /nfs/dbraw/zinc/28/33/24/171283324.db2.gz KTBANGLXFQUNQU-UUIJZJDISA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@H](C)CONC(=O)c1cccc2nc[nH]c21 ZINC000293782009 171290036 /nfs/dbraw/zinc/29/00/36/171290036.db2.gz RQSDLZXOBRBTKA-VIFPVBQESA-N 0 1 247.298 2.270 20 0 BEADMN CC[C@H](C)CONC(=O)c1cn[nH]c1C(C)C ZINC000295400105 171290518 /nfs/dbraw/zinc/29/05/18/171290518.db2.gz SKENNXTVODCENC-VIFPVBQESA-N 0 1 239.319 2.241 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000265621003 171360595 /nfs/dbraw/zinc/36/05/95/171360595.db2.gz NJYAWIIKXZNBBS-VHSXEESVSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000356808143 171361267 /nfs/dbraw/zinc/36/12/67/171361267.db2.gz XJRFWGREDJTPFR-AXFHLTTASA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000330944735 171362730 /nfs/dbraw/zinc/36/27/30/171362730.db2.gz GMRYTUWBHXSLRZ-HBNTYKKESA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177316859 171362829 /nfs/dbraw/zinc/36/28/29/171362829.db2.gz UGVRGIRAZKJKQK-HBNTYKKESA-N 0 1 249.358 2.380 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H](N)c1ccccc1 ZINC000042558514 171363810 /nfs/dbraw/zinc/36/38/10/171363810.db2.gz VLFMBXRNQRBIRH-DMDPSCGWSA-N 0 1 234.343 2.237 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)NCc1cn[nH]c1C ZINC000183415858 171384830 /nfs/dbraw/zinc/38/48/30/171384830.db2.gz VVEYLKJWFVNYNR-IUCAKERBSA-N 0 1 223.320 2.017 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000330940861 171385767 /nfs/dbraw/zinc/38/57/67/171385767.db2.gz CQEORQFWNAJBSE-UWVGGRQHSA-N 0 1 237.347 2.238 20 0 BEADMN CC[C@H](CC(=O)N[C@@H](C)c1nnc[nH]1)C(C)C ZINC000176206681 171420997 /nfs/dbraw/zinc/42/09/97/171420997.db2.gz JHYNMYGKLIEXTP-VHSXEESVSA-N 0 1 238.335 2.054 20 0 BEADMN COCC1(NCc2coc(C)n2)CCCCC1 ZINC000662340329 412109365 /nfs/dbraw/zinc/10/93/65/412109365.db2.gz UTRNQHPJYIWHKN-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662346125 412115156 /nfs/dbraw/zinc/11/51/56/412115156.db2.gz RSXLWMZDGKOENT-JTQLQIEISA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662346125 412115161 /nfs/dbraw/zinc/11/51/61/412115161.db2.gz RSXLWMZDGKOENT-JTQLQIEISA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)C[C@@H]2CC2(C)C)n1 ZINC000662346125 412115166 /nfs/dbraw/zinc/11/51/66/412115166.db2.gz RSXLWMZDGKOENT-JTQLQIEISA-N 0 1 249.358 2.223 20 0 BEADMN Cc1cnc(CN(C)C[C@H]2CC2(C)C)o1 ZINC000662345758 412116647 /nfs/dbraw/zinc/11/66/47/412116647.db2.gz LOFFIHYPPISSST-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN CN(C[C@@H]1CC1(C)C)[C@@H](C(N)=O)c1ccccc1 ZINC000662347086 412117954 /nfs/dbraw/zinc/11/79/54/412117954.db2.gz YSVOMYRUJQTXPF-QWHCGFSZSA-N 0 1 246.354 2.191 20 0 BEADMN Cc1nnc([C@@H](C)N(C)C[C@H]2CC2(C)C)o1 ZINC000662346981 412118164 /nfs/dbraw/zinc/11/81/64/412118164.db2.gz GYYTXKVHWZZXDL-PSASIEDQSA-N 0 1 223.320 2.417 20 0 BEADMN CN(C[C@@H]1CC1(C)C)[C@H](C(N)=O)c1ccccc1 ZINC000662347087 412118309 /nfs/dbraw/zinc/11/83/09/412118309.db2.gz YSVOMYRUJQTXPF-STQMWFEESA-N 0 1 246.354 2.191 20 0 BEADMN Cc1noc([C@H](C)N(C)C[C@@H]2CC2(C)C)n1 ZINC000662348886 412119119 /nfs/dbraw/zinc/11/91/19/412119119.db2.gz XOZUUCJSRHKBDH-WPRPVWTQSA-N 0 1 223.320 2.417 20 0 BEADMN C[C@H]1CN(CCCCF)C[C@@](C)(C(F)F)O1 ZINC000662359635 412124293 /nfs/dbraw/zinc/12/42/93/412124293.db2.gz MGINHNZNGSGPOU-ONGXEEELSA-N 0 1 239.281 2.481 20 0 BEADMN CC[C@H](C)CN1CCO[C@](C)(C(F)F)C1 ZINC000662372139 412129283 /nfs/dbraw/zinc/12/92/83/412129283.db2.gz PDVUHTMUKFUAIQ-ONGXEEELSA-N 0 1 221.291 2.389 20 0 BEADMN CN(C)Cc1cc(-c2nncs2)ccc1F ZINC000665199279 412132482 /nfs/dbraw/zinc/13/24/82/412132482.db2.gz AJOZZRARLJWFSO-UHFFFAOYSA-N 0 1 237.303 2.406 20 0 BEADMN CN(C)Cc1cc(-c2cnn(C)c2)ccc1F ZINC000665199283 412132889 /nfs/dbraw/zinc/13/28/89/412132889.db2.gz AVFPJBIPQKHACC-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN C[C@@H](C(=O)Nc1ccccc1)N1CC2CC1(C)C2 ZINC000662381713 412134871 /nfs/dbraw/zinc/13/48/71/412134871.db2.gz CADFKZFVYMBNRH-BZUNDVKYSA-N 0 1 244.338 2.498 20 0 BEADMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC1(C)CC1 ZINC000665350727 412281452 /nfs/dbraw/zinc/28/14/52/412281452.db2.gz ATBWCZZKBNFITI-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H](C2CCC2)C1 ZINC000665290309 412235181 /nfs/dbraw/zinc/23/51/81/412235181.db2.gz SUKASPMRYVQSAH-ZDUSSCGKSA-N 0 1 248.374 2.481 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)c1ccc(CN)o1 ZINC000662626127 412245808 /nfs/dbraw/zinc/24/58/08/412245808.db2.gz JXWVQXSYFVFIDX-VIFPVBQESA-N 0 1 238.331 2.293 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H](N)c1ccccc1 ZINC000662626332 412246345 /nfs/dbraw/zinc/24/63/45/412246345.db2.gz GDIGVLWUHXIHSD-AAEUAGOBSA-N 0 1 234.343 2.239 20 0 BEADMN CN(C)C1(C(=O)NCCC2=CCCCC2)CC1 ZINC000665432332 412322088 /nfs/dbraw/zinc/32/20/88/412322088.db2.gz GODYNCQGLGTPGN-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CC(C)CC1(NC(=O)c2coc(CN)c2)CC1 ZINC000662925198 412347063 /nfs/dbraw/zinc/34/70/63/412347063.db2.gz DOVSNAKMQQUNKV-UHFFFAOYSA-N 0 1 236.315 2.047 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)[C@H](N)c1ccccc1 ZINC000662991499 412364789 /nfs/dbraw/zinc/36/47/89/412364789.db2.gz VJQCJYACQXYQOJ-CHWSQXEVSA-N 0 1 246.354 2.191 20 0 BEADMN CCc1ccc(CC[N@@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000259626484 171791410 /nfs/dbraw/zinc/79/14/10/171791410.db2.gz BVFMGARANUIJGO-LLVKDONJSA-N 0 1 235.327 2.196 20 0 BEADMN CCc1cnc(CN[C@H](CC)COC)s1 ZINC000130646388 171915394 /nfs/dbraw/zinc/91/53/94/171915394.db2.gz SZSJLLWLWFVLCH-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CCc1nnc(S[C@@H]2CCC[C@H]2OC)[nH]1 ZINC000338539130 172001246 /nfs/dbraw/zinc/00/12/46/172001246.db2.gz FORAXMZUCMTUHU-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCC[C@H]2OC)n1 ZINC000338539130 172001247 /nfs/dbraw/zinc/00/12/47/172001247.db2.gz FORAXMZUCMTUHU-HTQZYQBOSA-N 0 1 227.333 2.027 20 0 BEADMN CCc1nc([C@@H](C)NC[C@H](O)C(C)C)cs1 ZINC000284219303 172001720 /nfs/dbraw/zinc/00/17/20/172001720.db2.gz ZSRPVHDUODPAKM-KOLCDFICSA-N 0 1 242.388 2.373 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2cccnc2)n[nH]1 ZINC000271492995 172001774 /nfs/dbraw/zinc/00/17/74/172001774.db2.gz LFBGOTWKUZQWRV-VHSXEESVSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@@H](C)NCCCOC)cs1 ZINC000184675543 172002817 /nfs/dbraw/zinc/00/28/17/172002817.db2.gz OGUKPLITFHRPRT-SECBINFHSA-N 0 1 228.361 2.393 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)COC)cs1 ZINC000164996946 172002851 /nfs/dbraw/zinc/00/28/51/172002851.db2.gz IZXLLOFYNYWNOX-DTWKUNHWSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1ccc(CN[C@H](C)c2n[nH]c(CC)n2)o1 ZINC000270620981 172002921 /nfs/dbraw/zinc/00/29/21/172002921.db2.gz CFXNHNLJKNWGNO-SECBINFHSA-N 0 1 248.330 2.373 20 0 BEADMN CCc1nc2c(s1)[C@@H]([N@@H+](C)CCO)CCC2 ZINC000152714443 172008559 /nfs/dbraw/zinc/00/85/59/172008559.db2.gz QPUBYMLQQDVADX-JTQLQIEISA-N 0 1 240.372 2.007 20 0 BEADMN CCc1ncc(CN2CCC(OC)CC2)s1 ZINC000271019757 172016462 /nfs/dbraw/zinc/01/64/62/172016462.db2.gz AGYPVAIUWVQTHS-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CCc1ncc(CN2CC[C@H](O)C[C@@H]2C)s1 ZINC000292754888 172017263 /nfs/dbraw/zinc/01/72/63/172017263.db2.gz IXBLWSZORUAFRA-UWVGGRQHSA-N 0 1 240.372 2.051 20 0 BEADMN CCc1nnc(CN(C)[C@@H](C)C(C)C)o1 ZINC000355264544 172048676 /nfs/dbraw/zinc/04/86/76/172048676.db2.gz LLWVAVZGSFLQIF-VIFPVBQESA-N 0 1 211.309 2.108 20 0 BEADMN CCc1nnc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000123121203 172051571 /nfs/dbraw/zinc/05/15/71/172051571.db2.gz CJTXTIPNWQCWIG-DTORHVGOSA-N 0 1 209.293 2.005 20 0 BEADMN CCc1nnc(SC[Si](C)(C)C)[nH]1 ZINC000171632574 172061497 /nfs/dbraw/zinc/06/14/97/172061497.db2.gz RKNGFWLQLXHHHY-UHFFFAOYSA-N 0 1 215.398 2.337 20 0 BEADMN CCc1n[nH]c(SC[Si](C)(C)C)n1 ZINC000171632574 172061498 /nfs/dbraw/zinc/06/14/98/172061498.db2.gz RKNGFWLQLXHHHY-UHFFFAOYSA-N 0 1 215.398 2.337 20 0 BEADMN CCc1noc(C)c1CN1CCCO[C@@H](C)C1 ZINC000336585295 172074725 /nfs/dbraw/zinc/07/47/25/172074725.db2.gz SZWUZCYMAPOVLI-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CN(CC)[C@@H]1CCOC1 ZINC000336672619 172075081 /nfs/dbraw/zinc/07/50/81/172075081.db2.gz BHCQUDZEIAQJEU-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CN1CCCO[C@H](C)C1 ZINC000336585296 172075579 /nfs/dbraw/zinc/07/55/79/172075579.db2.gz SZWUZCYMAPOVLI-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CN(C)C[C@@H](C)OC ZINC000285594422 172076486 /nfs/dbraw/zinc/07/64/86/172076486.db2.gz IXCFOLNFRXFFMK-SECBINFHSA-N 0 1 226.320 2.012 20 0 BEADMN CCc1noc(C)c1CN1CCS[C@H](C)C1 ZINC000163493462 172077338 /nfs/dbraw/zinc/07/73/38/172077338.db2.gz WAPUSEYNPYUEGX-SECBINFHSA-N 0 1 240.372 2.483 20 0 BEADMN CCc1noc(C)c1CN1CCOCC[C@H]1C ZINC000362241116 172077704 /nfs/dbraw/zinc/07/77/04/172077704.db2.gz WUXVMQHOIMCQEM-SNVBAGLBSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CN1CCOCC[C@@H]1C ZINC000362241115 172078305 /nfs/dbraw/zinc/07/83/05/172078305.db2.gz WUXVMQHOIMCQEM-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN CCc1noc(C)c1CNCc1cccn1C ZINC000292891663 172079492 /nfs/dbraw/zinc/07/94/92/172079492.db2.gz FUZWRJCWOLFDIS-UHFFFAOYSA-N 0 1 233.315 2.174 20 0 BEADMN CCc1noc(C)c1NC(=O)c1cc(C)no1 ZINC000330454946 172082101 /nfs/dbraw/zinc/08/21/01/172082101.db2.gz NTLSKMALSWQTSR-UHFFFAOYSA-N 0 1 235.243 2.094 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@H](C)C2)n1 ZINC000336582030 172089698 /nfs/dbraw/zinc/08/96/98/172089698.db2.gz KPTHIWIXSGXZBB-DTWKUNHWSA-N 0 1 209.293 2.035 20 0 BEADMN CCc1nocc1CN(C)C[C@@H](O)C(C)(C)C ZINC000339609734 172095399 /nfs/dbraw/zinc/09/53/99/172095399.db2.gz QJGLDUAUKHOOKW-GFCCVEGCSA-N 0 1 240.347 2.076 20 0 BEADMN CCc1nocc1CN1CCCSCC1 ZINC000336373753 172097984 /nfs/dbraw/zinc/09/79/84/172097984.db2.gz JQCQPQWXIOABMZ-UHFFFAOYSA-N 0 1 226.345 2.176 20 0 BEADMN CCc1nocc1CNCCOc1ccccc1 ZINC000339169141 172099889 /nfs/dbraw/zinc/09/98/89/172099889.db2.gz XUICQMDSRHVGHW-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN CCc1nocc1CNCCOC1CCCC1 ZINC000339209753 172100254 /nfs/dbraw/zinc/10/02/54/172100254.db2.gz GOYSACZKXGCUOX-UHFFFAOYSA-N 0 1 238.331 2.286 20 0 BEADMN CCc1nsc(Nc2cn(C)nc2CC)n1 ZINC000091026347 172107797 /nfs/dbraw/zinc/10/77/97/172107797.db2.gz VRDVFDVPINJVCT-UHFFFAOYSA-N 0 1 237.332 2.140 20 0 BEADMN CCc1oc(CN(C)C2CC2)cc1C(=O)OC ZINC000338944886 172111449 /nfs/dbraw/zinc/11/14/49/172111449.db2.gz NEOQEEYLLUJITF-UHFFFAOYSA-N 0 1 237.299 2.223 20 0 BEADMN CCn1c(C)nnc1CN(C)[C@H](C)C1CCC1 ZINC000357028117 172138937 /nfs/dbraw/zinc/13/89/37/172138937.db2.gz BBXUTQSFUAFHNZ-SNVBAGLBSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1cc(CN2CCC=C(C)C2)cn1 ZINC000281891960 172161833 /nfs/dbraw/zinc/16/18/33/172161833.db2.gz WIGWSDFXIZRCJV-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN CCn1cc(CN2CC(C)(CC)C2)cn1 ZINC000297409029 172163059 /nfs/dbraw/zinc/16/30/59/172163059.db2.gz MFYQJMQCXDMJLD-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CCn1cc(CNCc2ccc(F)nc2C)cn1 ZINC000278312768 172171677 /nfs/dbraw/zinc/17/16/77/172171677.db2.gz DHZIREFBKILXRD-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CCn1cc(CN[C@H](C)c2ccncc2)cn1 ZINC000050539513 172173607 /nfs/dbraw/zinc/17/36/07/172173607.db2.gz XUUPEOFXGQEORE-LLVKDONJSA-N 0 1 230.315 2.149 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccc(C)nc2)cn1 ZINC000062051669 172195007 /nfs/dbraw/zinc/19/50/07/172195007.db2.gz MUVGMZNQYOUITD-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@H](C)NCc2ccn(C)c2)cn1 ZINC000158531020 172197266 /nfs/dbraw/zinc/19/72/66/172197266.db2.gz LFWFLTLJINAIBI-NSHDSACASA-N 0 1 232.331 2.092 20 0 BEADMN CCn1ccnc1CN1CCC2(CC2)CC1 ZINC000363459671 172219131 /nfs/dbraw/zinc/21/91/31/172219131.db2.gz PVYWPIOOGNRTSZ-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCSC1 ZINC000295158070 172230027 /nfs/dbraw/zinc/23/00/27/172230027.db2.gz DMJIQRVCCPQJEQ-UWVGGRQHSA-N 0 1 225.361 2.059 20 0 BEADMN CN(C(=O)c1c(O)cccc1F)C(C)(C)C ZINC000334800250 172336467 /nfs/dbraw/zinc/33/64/67/172336467.db2.gz YWMHXCOWLGKHGW-UHFFFAOYSA-N 0 1 225.263 2.402 20 0 BEADMN CN(Cc1cc[nH]n1)CC1CCCCC1 ZINC000071907381 172844855 /nfs/dbraw/zinc/84/48/55/172844855.db2.gz SYAVYLMZZOHXQZ-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CN(Cc1ccc(Cl)s1)Cc1nnc[nH]1 ZINC000174804508 172936691 /nfs/dbraw/zinc/93/66/91/172936691.db2.gz XYNAWTZZJFXXLZ-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CC(C)CC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662225824 487626057 /nfs/dbraw/zinc/62/60/57/487626057.db2.gz BEYXGVFDOKJZQE-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN CN1CCCC[C@@H]1CNc1nccnc1Cl ZINC000044565946 173005797 /nfs/dbraw/zinc/00/57/97/173005797.db2.gz DLBLYQNOSQEJFD-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN CN1CCC[C@H]1C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000353892948 173051565 /nfs/dbraw/zinc/05/15/65/173051565.db2.gz HPJLHBBSINNVFQ-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000156366747 173075205 /nfs/dbraw/zinc/07/52/05/173075205.db2.gz LHFTZMIPVRVENG-NSCUHMNNSA-N 0 1 234.318 2.086 20 0 BEADMN CN1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177023124 173094822 /nfs/dbraw/zinc/09/48/22/173094822.db2.gz CORKZBBWBJXWMV-AWEZNQCLSA-N 0 1 234.318 2.060 20 0 BEADMN CNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000077657333 173273215 /nfs/dbraw/zinc/27/32/15/173273215.db2.gz YQTOKRPICSBYAV-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN CNC(=O)CN(Cc1ccccc1)CC(C)(C)C ZINC000264179480 173273399 /nfs/dbraw/zinc/27/33/99/173273399.db2.gz YMRIAGZNBUZYGM-UHFFFAOYSA-N 0 1 248.370 2.281 20 0 BEADMN COC1(c2ccccc2)CN(CC(C)C)C1 ZINC000362308971 174010061 /nfs/dbraw/zinc/01/00/61/174010061.db2.gz MZAXYBXKDRLDRA-UHFFFAOYSA-N 0 1 219.328 2.500 20 0 BEADMN COCC(C)(C)CN=c1cc(C(C)C)o[nH]1 ZINC000336760398 174069635 /nfs/dbraw/zinc/06/96/35/174069635.db2.gz JQQASFPQXXBPGA-UHFFFAOYSA-N 0 1 226.320 2.304 20 0 BEADMN COCC(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000293315655 174074171 /nfs/dbraw/zinc/07/41/71/174074171.db2.gz FILWJPKSFZPNCM-JTQLQIEISA-N 0 1 226.320 2.306 20 0 BEADMN COCC1(CN2CCC=C(F)C2)CCC1 ZINC000361345006 174098463 /nfs/dbraw/zinc/09/84/63/174098463.db2.gz BZFICMDJTOGVMU-UHFFFAOYSA-N 0 1 213.296 2.362 20 0 BEADMN COCC1=CCN([C@@H](C)c2ccccn2)CC1 ZINC000185849635 174116492 /nfs/dbraw/zinc/11/64/92/174116492.db2.gz LOEMVYQTUFATLW-LBPRGKRZSA-N 0 1 232.327 2.421 20 0 BEADMN COCC1=CCN(Cc2ccc(C)o2)CC1 ZINC000187621592 174117614 /nfs/dbraw/zinc/11/76/14/174117614.db2.gz YWAQIZYPMAIYGX-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN COCCCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000271313744 174166896 /nfs/dbraw/zinc/16/68/96/174166896.db2.gz VXZOCPDGJWYZDJ-UHFFFAOYSA-N 0 1 247.245 2.021 20 0 BEADMN COCCCCCN1CCC=C(F)C1 ZINC000359512727 174177895 /nfs/dbraw/zinc/17/78/95/174177895.db2.gz CDOQPIXRHCLXGQ-UHFFFAOYSA-N 0 1 201.285 2.362 20 0 BEADMN COCCCCCN[C@H](C)c1nnc(C)s1 ZINC000309984045 174184705 /nfs/dbraw/zinc/18/47/05/174184705.db2.gz XKVNWPIKUVHNOZ-SECBINFHSA-N 0 1 243.376 2.314 20 0 BEADMN CCn1ccc(CN2CCC[C@H](C)C2)n1 ZINC001652318053 1173062905 /nfs/dbraw/zinc/06/29/05/1173062905.db2.gz OKGYJLJATZCQFE-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN COCCCOCCN(C)Cc1occc1C ZINC000272355471 174255632 /nfs/dbraw/zinc/25/56/32/174255632.db2.gz LVRWBLLSKMPZDX-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN COCCCOc1cccc(CNCCF)c1 ZINC000280603444 174256775 /nfs/dbraw/zinc/25/67/75/174256775.db2.gz CNJQHCNWZOVWST-UHFFFAOYSA-N 0 1 241.306 2.161 20 0 BEADMN COCCCn1nccc1CN1CCC12CCC2 ZINC000338948123 174267164 /nfs/dbraw/zinc/26/71/64/174267164.db2.gz LJZBBXNGHZFOOC-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN COCCN(C)Cc1ccc(Cl)o1 ZINC000308501240 174281324 /nfs/dbraw/zinc/28/13/24/174281324.db2.gz WZPMWEWDSKROCK-UHFFFAOYSA-N 0 1 203.669 2.011 20 0 BEADMN COCCN(CC=C(C)C)Cc1cccnc1 ZINC000191107226 174289839 /nfs/dbraw/zinc/28/98/39/174289839.db2.gz FCUDFMBZXCQKGE-UHFFFAOYSA-N 0 1 234.343 2.496 20 0 BEADMN COCCN(Cc1ccc(C)nc1C)C1CC1 ZINC000359842021 174298886 /nfs/dbraw/zinc/29/88/86/174298886.db2.gz FVWHUNLNZOJRSN-UHFFFAOYSA-N 0 1 234.343 2.309 20 0 BEADMN COCCN1CC[C@](F)(c2ccccc2)C1 ZINC000374534033 174316361 /nfs/dbraw/zinc/31/63/61/174316361.db2.gz CPRMSNIEPZGGNM-CYBMUJFWSA-N 0 1 223.291 2.204 20 0 BEADMN COCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289597734 174317930 /nfs/dbraw/zinc/31/79/30/174317930.db2.gz QCWMFJQLTMVBRG-UHFFFAOYSA-N 0 1 247.338 2.189 20 0 BEADMN COCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000019881330 174337712 /nfs/dbraw/zinc/33/77/12/174337712.db2.gz BQWRTCBCDNTZFC-HNNXBMFYSA-N 0 1 242.322 2.407 20 0 BEADMN COCCOc1ccc(CN[C@H](C)CF)cc1 ZINC000288502886 174368666 /nfs/dbraw/zinc/36/86/66/174368666.db2.gz RZVJIDRWAMDELI-LLVKDONJSA-N 0 1 241.306 2.159 20 0 BEADMN COC[C@H](C)NCc1cccc(O)c1Cl ZINC000339330430 174548911 /nfs/dbraw/zinc/54/89/11/174548911.db2.gz BRYCRZIIVIPJMQ-QMMMGPOBSA-N 0 1 229.707 2.170 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2cscn2)C1(C)C ZINC000072926397 174795933 /nfs/dbraw/zinc/79/59/33/174795933.db2.gz YKQDSVOPGFRRFW-JQWIXIFHSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000126069747 174834988 /nfs/dbraw/zinc/83/49/88/174834988.db2.gz FXZOUYWTAWACJA-APPZFPTMSA-N 0 1 214.334 2.137 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285861692 174844503 /nfs/dbraw/zinc/84/45/03/174844503.db2.gz ZSVBIFSLGPAEIT-HRDYMLBCSA-N 0 1 244.285 2.434 20 0 BEADMN COc1cc(NCc2cnc[nH]2)cc(OC)c1 ZINC000054763120 175003211 /nfs/dbraw/zinc/00/32/11/175003211.db2.gz XIUKOLATEAFFBF-UHFFFAOYSA-N 0 1 233.271 2.039 20 0 BEADMN COc1ccc(C)cc1CNCc1c[nH]nc1C ZINC000037989263 175076312 /nfs/dbraw/zinc/07/63/12/175076312.db2.gz VPTXQBVDLGXAPI-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN COc1ccc(CNCc2[nH]ncc2C)c(F)c1 ZINC000352849586 175108513 /nfs/dbraw/zinc/10/85/13/175108513.db2.gz WYXDLCNTBTZQCG-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN COc1ccc(CN[C@H]2CCC[C@@H]2F)cn1 ZINC000339582643 175112373 /nfs/dbraw/zinc/11/23/73/175112373.db2.gz HAJNAZIGSWAZBW-QWRGUYRKSA-N 0 1 224.279 2.070 20 0 BEADMN COc1ccc(F)cc1CN(CCO)C(C)C ZINC000049826634 175128708 /nfs/dbraw/zinc/12/87/08/175128708.db2.gz UMCFIKHHOYJCDF-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN COc1ccc(NCc2cn[nH]c2C)cc1OC ZINC000036901464 175151545 /nfs/dbraw/zinc/15/15/45/175151545.db2.gz SIUKUMPCLZVXOZ-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1ccc2c(c1)[C@@H](C(=O)NOC(C)C)CC2 ZINC000295791755 175213816 /nfs/dbraw/zinc/21/38/16/175213816.db2.gz ZELKOBYBSPXDBB-LBPRGKRZSA-N 0 1 249.310 2.181 20 0 BEADMN COc1ccc2nc(SC[C@H](C)O)[nH]c2c1 ZINC000037492019 175228780 /nfs/dbraw/zinc/22/87/80/175228780.db2.gz UPZHFEIPWXLGHE-ZETCQYMHSA-N 0 1 238.312 2.044 20 0 BEADMN COc1cccc(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000041123574 175236618 /nfs/dbraw/zinc/23/66/18/175236618.db2.gz UWMUQEUTJOBEIE-NSHDSACASA-N 0 1 247.298 2.401 20 0 BEADMN COc1cccc(CCCN2CCO[C@@H]3C[C@@H]32)c1 ZINC000367847278 175251650 /nfs/dbraw/zinc/25/16/50/175251650.db2.gz FHVKZYSXOLTHRC-LSDHHAIUSA-N 0 1 247.338 2.101 20 0 BEADMN COc1cccc(CN2CCCSCC2)n1 ZINC000270716668 175258176 /nfs/dbraw/zinc/25/81/76/175258176.db2.gz ZIFBIBZAGPLMKL-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN COc1cccc(CNC[C@@H](C)C(F)(F)F)n1 ZINC000359661394 175264488 /nfs/dbraw/zinc/26/44/88/175264488.db2.gz GCRFALHHVOWSKA-MRVPVSSYSA-N 0 1 248.248 2.378 20 0 BEADMN COc1cccc(CN[C@@H](C)c2ccnn2C)c1 ZINC000192249769 175266605 /nfs/dbraw/zinc/26/66/05/175266605.db2.gz AIDYKGIQGWOLSE-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1cccc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000229881644 175267051 /nfs/dbraw/zinc/26/70/51/175267051.db2.gz MCNRLOCIQKOBMF-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN COc1cccc(CN[C@H]2CSC2(C)C)n1 ZINC000282980244 175267467 /nfs/dbraw/zinc/26/74/67/175267467.db2.gz ZSGJWBFHFHNNCN-JTQLQIEISA-N 0 1 238.356 2.074 20 0 BEADMN COc1cccc(Cl)c1CNCC(C)(C)O ZINC000118449567 175273713 /nfs/dbraw/zinc/27/37/13/175273713.db2.gz XHASXDHXPVAVPC-UHFFFAOYSA-N 0 1 243.734 2.209 20 0 BEADMN COc1ccccc1C(C)(C)NCCF ZINC000336742401 175319568 /nfs/dbraw/zinc/31/95/68/175319568.db2.gz WYQUUBHZVOONPK-UHFFFAOYSA-N 0 1 211.280 2.489 20 0 BEADMN COc1ccnc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000336292346 175357957 /nfs/dbraw/zinc/35/79/57/175357957.db2.gz VLLFGWHMDXTUCT-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN COc1ccsc1CN[C@@H](C)c1cn[nH]c1 ZINC000270202063 175379008 /nfs/dbraw/zinc/37/90/08/175379008.db2.gz MKSBNFDXCSRZQD-QMMMGPOBSA-N 0 1 237.328 2.331 20 0 BEADMN COc1cncc(CN2CCCC3(CC3)C2)c1 ZINC000289685359 175384845 /nfs/dbraw/zinc/38/48/45/175384845.db2.gz DRYNZYNOILIQJS-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1ncc(CN(C)[C@@H]2CC2(C)C)c(C)n1 ZINC000337228518 175398073 /nfs/dbraw/zinc/39/80/73/175398073.db2.gz HBIKUNHJCZQIAP-LLVKDONJSA-N 0 1 235.331 2.024 20 0 BEADMN C[C@@H](CCc1ccco1)NCc1cocn1 ZINC000272221381 175687651 /nfs/dbraw/zinc/68/76/51/175687651.db2.gz WFVKQACYLHGTJC-JTQLQIEISA-N 0 1 220.272 2.379 20 0 BEADMN C[C@@H](NCCOCC1CC1)c1ccncc1F ZINC000338353089 175882696 /nfs/dbraw/zinc/88/26/96/175882696.db2.gz GLBQMSUPBDMPSC-SNVBAGLBSA-N 0 1 238.306 2.298 20 0 BEADMN C[C@@H](NCc1cccc(CO)c1)c1cncs1 ZINC000223249784 175899590 /nfs/dbraw/zinc/89/95/90/175899590.db2.gz JAJBCDRYNOJHSM-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN C[C@@H](N[C@H](C)c1cccnc1)c1ccnn1C ZINC000192246449 175920919 /nfs/dbraw/zinc/92/09/19/175920919.db2.gz KCFLQYRDZGNDQA-GHMZBOCLSA-N 0 1 230.315 2.227 20 0 BEADMN C[C@@H](O)CN(C)Cc1cnc(C(C)(C)C)s1 ZINC000130781540 175967521 /nfs/dbraw/zinc/96/75/21/175967521.db2.gz TZZZXMOTKIVAKV-SECBINFHSA-N 0 1 242.388 2.253 20 0 BEADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)C1CC1 ZINC000281078094 176010487 /nfs/dbraw/zinc/01/04/87/176010487.db2.gz WELLFGKTHKDUOY-ZCFIWIBFSA-N 0 1 237.328 2.142 20 0 BEADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)C1CC1 ZINC000281078094 176010489 /nfs/dbraw/zinc/01/04/89/176010489.db2.gz WELLFGKTHKDUOY-ZCFIWIBFSA-N 0 1 237.328 2.142 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@](C)(O)C1 ZINC000178014602 176013214 /nfs/dbraw/zinc/01/32/14/176013214.db2.gz KOXHNZQVJXSORW-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)[O-] ZINC000082413880 176014048 /nfs/dbraw/zinc/01/40/48/176014048.db2.gz GMGHGMDPRKEWAC-ZETCQYMHSA-N 0 1 229.226 2.042 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](CO)C1 ZINC000174701580 176016179 /nfs/dbraw/zinc/01/61/79/176016179.db2.gz DCSVXFXNJBMXGE-UWVGGRQHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C1CC1 ZINC000046601955 176019326 /nfs/dbraw/zinc/01/93/26/176019326.db2.gz KVYIECORDMAJKP-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C1CC1 ZINC000046601955 176019327 /nfs/dbraw/zinc/01/93/27/176019327.db2.gz KVYIECORDMAJKP-LBPRGKRZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC1OCCO1 ZINC000122145717 176020309 /nfs/dbraw/zinc/02/03/09/176020309.db2.gz VAQRJMGUDWXYDC-NSHDSACASA-N 0 1 221.300 2.052 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226444719 176022300 /nfs/dbraw/zinc/02/23/00/176022300.db2.gz VOGHOOZJYBZQLU-CMPLNLGQSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CC(C)(C)CO ZINC000295190932 176026741 /nfs/dbraw/zinc/02/67/41/176026741.db2.gz JJZJQFZKGNEFHB-NSHDSACASA-N 0 1 222.332 2.093 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CC1(C)COC1 ZINC000336699921 176034228 /nfs/dbraw/zinc/03/42/28/176034228.db2.gz JSKMXBIJBINBME-NSHDSACASA-N 0 1 220.316 2.111 20 0 BEADMN C[C@@H](c1cnccn1)N(C)C[C@@H]1CCCCO1 ZINC000274246875 176035930 /nfs/dbraw/zinc/03/59/30/176035930.db2.gz FPDBACBLDRCKDH-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](O)C1 ZINC000305836021 176039753 /nfs/dbraw/zinc/03/97/53/176039753.db2.gz XAMGTSKRCROUKA-QWRGUYRKSA-N 0 1 246.310 2.346 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1CCCC[C@@H](C)C1 ZINC000361773057 176041090 /nfs/dbraw/zinc/04/10/90/176041090.db2.gz ZRTNLZPQCUQBIY-MNOVXSKESA-N 0 1 249.362 2.191 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000094563925 176079504 /nfs/dbraw/zinc/07/95/04/176079504.db2.gz ZROOFGGVFYIPDP-KOLCDFICSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCCC[C@H]1Nc1ccncc1C(N)=O ZINC000302031055 176089156 /nfs/dbraw/zinc/08/91/56/176089156.db2.gz NFKCRPDARUZNRB-MWLCHTKSSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000052880985 176094558 /nfs/dbraw/zinc/09/45/58/176094558.db2.gz LCISCJMHKLYOCS-IUODEOHRSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC(F)(F)F)[C@H]1C(=O)[O-] ZINC000300227570 176096165 /nfs/dbraw/zinc/09/61/65/176096165.db2.gz DMVMTKWXVCCQRI-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCCF)[C@H]1C(=O)[O-] ZINC000336668105 176097736 /nfs/dbraw/zinc/09/77/36/176097736.db2.gz QFMRURKFLAEWNK-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccs2)[C@H]1C(=O)[O-] ZINC000300228673 176102147 /nfs/dbraw/zinc/10/21/47/176102147.db2.gz RVRHYAIAMGSGMW-MWLCHTKSSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1c(O)cccc1F ZINC000127278305 176106636 /nfs/dbraw/zinc/10/66/36/176106636.db2.gz ASEXKLPORJCWGI-MRVPVSSYSA-N 0 1 223.247 2.156 20 0 BEADMN C[C@@H]1CCCN1C[C@@H](O)c1cc(F)ccc1F ZINC000247454686 176108152 /nfs/dbraw/zinc/10/81/52/176108152.db2.gz HSSBERHPYCZFPU-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000076117879 176110231 /nfs/dbraw/zinc/11/02/31/176110231.db2.gz YQXSBGIOZVMJKE-SECBINFHSA-N 0 1 233.271 2.314 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccccc1C(=O)[O-] ZINC000037911360 176110878 /nfs/dbraw/zinc/11/08/78/176110878.db2.gz BLGKMPURJHVUQJ-SNVBAGLBSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)NCc2cnc[nH]2)C1 ZINC000330896957 176116047 /nfs/dbraw/zinc/11/60/47/176116047.db2.gz LSPFODLDWBFPLD-GHMZBOCLSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H]1CCC[C@@H](CC(=O)NCCN2CCC2)C1 ZINC000337273807 176116189 /nfs/dbraw/zinc/11/61/89/176116189.db2.gz CQNICILLXHUHIA-CHWSQXEVSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H]1CCC[C@@H](COCCc2c[nH]nn2)C1 ZINC000331239316 176119806 /nfs/dbraw/zinc/11/98/06/176119806.db2.gz JZYLFPZUWFEECA-GHMZBOCLSA-N 0 1 223.320 2.190 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000354241403 176122826 /nfs/dbraw/zinc/12/28/26/176122826.db2.gz RUGLKGONGZGFJO-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112827395 176130410 /nfs/dbraw/zinc/13/04/10/176130410.db2.gz XSAUSDJIAPONDW-KOLCDFICSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@@H]1CCC[C@H](CN2CC[S@@](=O)[C@H](C)C2)C1 ZINC000356991026 176137315 /nfs/dbraw/zinc/13/73/15/176137315.db2.gz UUOIGFBVQSVJGE-NFFDBFGFSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC000354292451 176138555 /nfs/dbraw/zinc/13/85/55/176138555.db2.gz VCHZXOZJDITHEQ-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC000078830899 176140962 /nfs/dbraw/zinc/14/09/62/176140962.db2.gz LWSPJEVODPTVAB-ZJUUUORDSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000129356313 176142476 /nfs/dbraw/zinc/14/24/76/176142476.db2.gz SFVDVPCDMFOWPN-XBFCOCLRSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2ccncc2C(N)=O)C1 ZINC000302231972 176145261 /nfs/dbraw/zinc/14/52/61/176145261.db2.gz SGEICAMPJNSGMK-ZJUUUORDSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2ccncc2C(N)=O)[C@@H]1C ZINC000302218489 176145507 /nfs/dbraw/zinc/14/55/07/176145507.db2.gz KXOGTTOPNXPZHO-FOGDFJRCSA-N 0 1 247.342 2.417 20 0 BEADMN C[C@@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000263739893 176172285 /nfs/dbraw/zinc/17/22/85/176172285.db2.gz RGKUJJXRPMKABD-SKDRFNHKSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H]1CCN(Cc2cc(F)ccc2F)[C@H]1CO ZINC000248863278 176173994 /nfs/dbraw/zinc/17/39/94/176173994.db2.gz AMGRVHDHYXZUKL-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000040718696 176176174 /nfs/dbraw/zinc/17/61/74/176176174.db2.gz LSINMKIDEGYKKE-SNVBAGLBSA-N 0 1 219.284 2.227 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(F)c2F)[C@@H]1CO ZINC000189719947 176176566 /nfs/dbraw/zinc/17/65/66/176176566.db2.gz SJGDROYKXFGFRI-BXKDBHETSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000263655135 176178346 /nfs/dbraw/zinc/17/83/46/176178346.db2.gz CMXCLIHCDYFUGX-SNVBAGLBSA-N 0 1 242.326 2.054 20 0 BEADMN C[C@@H]1CCN(Cc2ncccn2)CC12CCC2 ZINC000336485448 176179413 /nfs/dbraw/zinc/17/94/13/176179413.db2.gz RWWYFLQZCRKONV-GFCCVEGCSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CCN[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000127911736 176185926 /nfs/dbraw/zinc/18/59/26/176185926.db2.gz MHNGTJOSSKEZJI-MWLCHTKSSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CCSCCN1Cc1ccno1 ZINC000286352710 176194388 /nfs/dbraw/zinc/19/43/88/176194388.db2.gz XWSKFPYGOVWAFA-SECBINFHSA-N 0 1 212.318 2.002 20 0 BEADMN C[C@@H]1CC[C@@]2(CCN(Cc3cc[nH]n3)C2)C1 ZINC000336428031 176218874 /nfs/dbraw/zinc/21/88/74/176218874.db2.gz GDRZDKBIBDJJJA-DGCLKSJQSA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)O1 ZINC000333075547 176221126 /nfs/dbraw/zinc/22/11/26/176221126.db2.gz DLRPOVKDHWUONY-PRHODGIISA-N 0 1 245.282 2.069 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCn3cccc3[C@H]2C)O1 ZINC000248993650 176225335 /nfs/dbraw/zinc/22/53/35/176225335.db2.gz YYDOEYHLVLVFOL-JHJVBQTASA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1CC[C@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000338952761 176227842 /nfs/dbraw/zinc/22/78/42/176227842.db2.gz PBKZIHMOPWXLJS-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)[C@H](C)C1 ZINC000357351138 176232414 /nfs/dbraw/zinc/23/24/14/176232414.db2.gz WKCKTEDXVMDITG-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000336541766 176233004 /nfs/dbraw/zinc/23/30/04/176233004.db2.gz NQJSLNXXJYRXQN-MNOVXSKESA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000310361198 176236906 /nfs/dbraw/zinc/23/69/06/176236906.db2.gz KHKZDGRYQKRFRS-PSASIEDQSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@@H]1CC[C@]2(CCN(Cc3cc[nH]n3)C2)C1 ZINC000336428033 176238049 /nfs/dbraw/zinc/23/80/49/176238049.db2.gz GDRZDKBIBDJJJA-YPMHNXCESA-N 0 1 219.332 2.422 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@@H](C)N1C ZINC000358705741 176244509 /nfs/dbraw/zinc/24/45/09/176244509.db2.gz ADDVUKVWUMWDFD-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCCC2)C[C@@H](C)N1 ZINC000070076415 176244622 /nfs/dbraw/zinc/24/46/22/176244622.db2.gz MUHNWWQCPZNTJY-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC2CCCC2)CCN1 ZINC000188397423 176245532 /nfs/dbraw/zinc/24/55/32/176245532.db2.gz KOBGALPFYYEWGV-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H]1C ZINC000339584179 176283644 /nfs/dbraw/zinc/28/36/44/176283644.db2.gz YWKAKEOMJGWEPG-FDYHWXHSSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CN(CC(C)(C)O)C[C@H](c2ccccc2)O1 ZINC000264414604 176284647 /nfs/dbraw/zinc/28/46/47/176284647.db2.gz HCGZMGHQSPWYIG-TZMCWYRMSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000235356229 176286142 /nfs/dbraw/zinc/28/61/42/176286142.db2.gz RFYDUIVUFJZDRS-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CN(CCC2CCCCC2)CC(=O)N1C ZINC000337442944 176287446 /nfs/dbraw/zinc/28/74/46/176287446.db2.gz HAAQKJZHCGAEJU-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000373510690 176292822 /nfs/dbraw/zinc/29/28/22/176292822.db2.gz UOHBUNVFXMTNII-YPMHNXCESA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)C[C@H](C2CC2)O1 ZINC000279415126 176293569 /nfs/dbraw/zinc/29/35/69/176293569.db2.gz WHBPLQKBAIWSKY-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(CCc2cscn2)CCS1 ZINC000284164834 176295268 /nfs/dbraw/zinc/29/52/68/176295268.db2.gz WQHINTZVNCRNCD-SECBINFHSA-N 0 1 228.386 2.123 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)ccc2N)CCCO1 ZINC000061912972 176301222 /nfs/dbraw/zinc/30/12/22/176301222.db2.gz FQBPAOQZIOCZLC-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)[C@H](C)CN1C ZINC000361155762 176302621 /nfs/dbraw/zinc/30/26/21/176302621.db2.gz PZPIYYCJJCRIGF-NXEZZACHSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000092085981 176302680 /nfs/dbraw/zinc/30/26/80/176302680.db2.gz HFGVEEGYIHIKPL-PHIMTYICSA-N 0 1 233.311 2.473 20 0 BEADMN C[C@@H]1CN(Cc2cnc3ccccn23)[C@@H]1C ZINC000336548380 176310935 /nfs/dbraw/zinc/31/09/35/176310935.db2.gz GEZQXCBZEWNYBK-GHMZBOCLSA-N 0 1 215.300 2.175 20 0 BEADMN C[C@@H]1CN([C@@H]2CCOC2)Cc2ccccc2O1 ZINC000292554540 176315247 /nfs/dbraw/zinc/31/52/47/176315247.db2.gz YWDAYXYGRJBLHL-DGCLKSJQSA-N 0 1 233.311 2.058 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N1C[C@@H](C)[C@H]1C ZINC000339570597 176316358 /nfs/dbraw/zinc/31/63/58/176316358.db2.gz XGYAVGPGGHNLOH-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1COCCN1CCCCC1CCOCC1 ZINC000337135524 176336097 /nfs/dbraw/zinc/33/60/97/176336097.db2.gz NWWQUPHLBMXWQX-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN C[C@@H]1CSCCN1Cc1ccccn1 ZINC000172435372 176351291 /nfs/dbraw/zinc/35/12/91/176351291.db2.gz CSUPLKLUPMZMLK-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN C[C@@H]1CSCCN1Cc1cccc(O)c1 ZINC000179664958 176351795 /nfs/dbraw/zinc/35/17/95/176351795.db2.gz PCZUAWBZWPUKFI-SNVBAGLBSA-N 0 1 223.341 2.330 20 0 BEADMN C[C@@H]1CSCCN1Cc1ccncc1 ZINC000172984813 176351985 /nfs/dbraw/zinc/35/19/85/176351985.db2.gz JRELUWRJPGIAAF-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000034935732 176360739 /nfs/dbraw/zinc/36/07/39/176360739.db2.gz WWTKNCFMGBFYPT-YRGRVCCFSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@@H]1C[C@@H](CN(C)Cc2nccs2)CCO1 ZINC000352617677 176368232 /nfs/dbraw/zinc/36/82/32/176368232.db2.gz HAEXXRGEHMCWDU-MNOVXSKESA-N 0 1 240.372 2.390 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@]2(C)CCCO2)c2nccn21 ZINC000345346058 176375989 /nfs/dbraw/zinc/37/59/89/176375989.db2.gz CEDOULBBYOCDAM-NQBHXWOUSA-N 0 1 235.331 2.048 20 0 BEADMN C[C@@H]1C[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000043115484 176439093 /nfs/dbraw/zinc/43/90/93/176439093.db2.gz FVLZJZATSFEKPY-APPZFPTMSA-N 0 1 239.702 2.431 20 0 BEADMN C[C@@](O)(CNCc1ccsc1)C(F)(F)F ZINC000336718472 176518581 /nfs/dbraw/zinc/51/85/81/176518581.db2.gz YMGNIFSJIFFDEF-MRVPVSSYSA-N 0 1 239.262 2.151 20 0 BEADMN C[C@H](CCO)NCc1c(F)cccc1Cl ZINC000096811335 176637292 /nfs/dbraw/zinc/63/72/92/176637292.db2.gz MCKOKXYUKAXOCY-MRVPVSSYSA-N 0 1 231.698 2.340 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC[C@@H](C)C2)s1 ZINC000289096675 177019465 /nfs/dbraw/zinc/01/94/65/177019465.db2.gz LSMYQWYJGSNOOR-ZJUUUORDSA-N 0 1 240.372 2.428 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1CC[C@H](CO)C1 ZINC000269493360 177031810 /nfs/dbraw/zinc/03/18/10/177031810.db2.gz ZIIMKYJHQVNUJQ-ZJUUUORDSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@H](c1cccc(F)c1)[N@@H+](C)CCC(=O)[O-] ZINC000082717804 177036002 /nfs/dbraw/zinc/03/60/02/177036002.db2.gz UCFQJRCVLOIGCB-SECBINFHSA-N 0 1 225.263 2.293 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CC[C@H](CO)C1 ZINC000181118794 177053811 /nfs/dbraw/zinc/05/38/11/177053811.db2.gz QEAYHDWNQSUURL-MNOVXSKESA-N 0 1 246.310 2.203 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N(C)CCCO ZINC000281603556 177054424 /nfs/dbraw/zinc/05/44/24/177054424.db2.gz GLVRPKLOTLLZOB-SNVBAGLBSA-N 0 1 234.299 2.203 20 0 BEADMN C[C@H]1CCC(C)(C)N1Cc1nnc2n1CCCC2 ZINC000336305436 177069559 /nfs/dbraw/zinc/06/95/59/177069559.db2.gz KEHRDNSPCHADPU-NSHDSACASA-N 0 1 248.374 2.377 20 0 BEADMN C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000339293785 177072348 /nfs/dbraw/zinc/07/23/48/177072348.db2.gz PLQWWBOEBZMKIT-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@H](N)c1ccccc1 ZINC000019437793 177073036 /nfs/dbraw/zinc/07/30/36/177073036.db2.gz NHEIHCUBZIFBJT-WCQYABFASA-N 0 1 232.327 2.087 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccnn1C ZINC000119969713 177080682 /nfs/dbraw/zinc/08/06/82/177080682.db2.gz UBPOOIVMKLOUHC-AAEUAGOBSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1ccncc1C(N)=O ZINC000302215020 177081249 /nfs/dbraw/zinc/08/12/49/177081249.db2.gz ITGHZRVEKLLGCB-WDEREUQCSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@H]1CCCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000021805912 177083468 /nfs/dbraw/zinc/08/34/68/177083468.db2.gz BDRDWHLZDWQKDB-IUCAKERBSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCCCF)[C@@H]1C(=O)[O-] ZINC000336668107 177098519 /nfs/dbraw/zinc/09/85/19/177098519.db2.gz QFMRURKFLAEWNK-QWRGUYRKSA-N 0 1 231.311 2.311 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC(F)(F)F)[C@H]1C(=O)[O-] ZINC000300227571 177098749 /nfs/dbraw/zinc/09/87/49/177098749.db2.gz DMVMTKWXVCCQRI-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccsc2)[C@H]1C(=O)[O-] ZINC000300229364 177101554 /nfs/dbraw/zinc/10/15/54/177101554.db2.gz XHLVBHBDGFXKMG-GXSJLCMTSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000154444757 177109214 /nfs/dbraw/zinc/10/92/14/177109214.db2.gz YLCOMEKTQLFHMA-LBPRGKRZSA-N 0 1 232.327 2.134 20 0 BEADMN C[C@H]1CCC[C@@H](CC(=O)N2CCNC[C@@H]2C)C1 ZINC000125618810 177118251 /nfs/dbraw/zinc/11/82/51/177118251.db2.gz ARZLPENEUKHXMM-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)c2coc(CN)c2)C1 ZINC000187358654 177122659 /nfs/dbraw/zinc/12/26/59/177122659.db2.gz QOJMCSNIIDIIFS-GXSJLCMTSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCC[C@@H](NCc2ncccn2)C1 ZINC000054459146 177122721 /nfs/dbraw/zinc/12/27/21/177122721.db2.gz CCDGHJMBPNUCTF-WDEREUQCSA-N 0 1 205.305 2.145 20 0 BEADMN C[C@H]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000336352036 177124142 /nfs/dbraw/zinc/12/41/42/177124142.db2.gz DBWOZWXIGJGBSF-VHSXEESVSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H]1CCC[C@@H]1Cc1nc(C2(N)CCC2)no1 ZINC000334836621 177124203 /nfs/dbraw/zinc/12/42/03/177124203.db2.gz GZLLJBYIYOBIPM-VHSXEESVSA-N 0 1 235.331 2.386 20 0 BEADMN C[C@H]1CCC[C@H](CC(=O)NCCN2CCC2)C1 ZINC000337273810 177132441 /nfs/dbraw/zinc/13/24/41/177132441.db2.gz CQNICILLXHUHIA-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN C[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000111800070 177153128 /nfs/dbraw/zinc/15/31/28/177153128.db2.gz NHNJBBYBVQIHJM-VIFPVBQESA-N 0 1 229.283 2.045 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1C ZINC000179338267 177153167 /nfs/dbraw/zinc/15/31/67/177153167.db2.gz CNADCAQRFWQBCO-VHSXEESVSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000040718717 177160495 /nfs/dbraw/zinc/16/04/95/177160495.db2.gz UFMPVMQLXBZPQT-NSHDSACASA-N 0 1 249.310 2.105 20 0 BEADMN C[C@H]1CCN(Cc2ccc(F)c(F)c2)[C@H]1CO ZINC000249001578 177163397 /nfs/dbraw/zinc/16/33/97/177163397.db2.gz YVYQKTKEDNHOLK-ZANVPECISA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000040718643 177166117 /nfs/dbraw/zinc/16/61/17/177166117.db2.gz BGHGFXWVPFIIKZ-JTQLQIEISA-N 0 1 219.284 2.227 20 0 BEADMN C[C@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@H]1C ZINC000336365727 177166784 /nfs/dbraw/zinc/16/67/84/177166784.db2.gz KCHIZVFXMCRUKB-UWVGGRQHSA-N 0 1 236.363 2.333 20 0 BEADMN C[C@H]1CCN[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000127912896 177175860 /nfs/dbraw/zinc/17/58/60/177175860.db2.gz RJTKDBZZMFKUOR-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@H]1CCN[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000127911440 177176281 /nfs/dbraw/zinc/17/62/81/177176281.db2.gz MHNGTJOSSKEZJI-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(O)c1 ZINC000336616065 177186623 /nfs/dbraw/zinc/18/66/23/177186623.db2.gz VWODBHAOHICBIY-PHIMTYICSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC000294276411 177228085 /nfs/dbraw/zinc/22/80/85/177228085.db2.gz UEMMVRMDJXFEFT-IUCAKERBSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(C(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000294400936 177231863 /nfs/dbraw/zinc/23/18/63/177231863.db2.gz YPOOEKBOFUUUJC-IUCAKERBSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(CC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000312935804 177243716 /nfs/dbraw/zinc/24/37/16/177243716.db2.gz WBJRKHMOJBTAMJ-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H]1CN(CCCc2ccncc2)[C@@H](C)CO1 ZINC000360469573 177251846 /nfs/dbraw/zinc/25/18/46/177251846.db2.gz POFXBTSDHYITCK-STQMWFEESA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(CC[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000041164896 177254679 /nfs/dbraw/zinc/25/46/79/177254679.db2.gz CMJMYWPNEBLCGB-GUTXKFCHSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(C[C@H]2CCC(F)(F)C2)CCC1=O ZINC000300830912 177259509 /nfs/dbraw/zinc/25/95/09/177259509.db2.gz HJJKFENERIKJQE-UWVGGRQHSA-N 0 1 231.286 2.333 20 0 BEADMN C[C@H]1CN(Cc2cc(F)ccc2N)CCCO1 ZINC000061912973 177260647 /nfs/dbraw/zinc/26/06/47/177260647.db2.gz FQBPAOQZIOCZLC-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)s2)C[C@H]1O ZINC000306775526 177263400 /nfs/dbraw/zinc/26/34/00/177263400.db2.gz WYPKVAJBXKHIGL-IONNQARKSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@H]1CN(Cc2cnc3ccccn23)[C@H]1C ZINC000336548382 177269667 /nfs/dbraw/zinc/26/96/67/177269667.db2.gz GEZQXCBZEWNYBK-QWRGUYRKSA-N 0 1 215.300 2.175 20 0 BEADMN C[C@H]1CN(Cc2nc(-c3ccoc3)no2)C[C@@H]1C ZINC000336350621 177271160 /nfs/dbraw/zinc/27/11/60/177271160.db2.gz MAHRSUKLYHGOIU-UWVGGRQHSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@H]1COCCN1Cc1cccc2cc[nH]c21 ZINC000271097288 177292611 /nfs/dbraw/zinc/29/26/11/177292611.db2.gz MWPXXTFFTWSMDO-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1ccn(C(F)F)n1 ZINC000336779461 177306994 /nfs/dbraw/zinc/30/69/94/177306994.db2.gz OHWQTLBUSPGPEC-IONNQARKSA-N 0 1 247.314 2.119 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cn(C(C)(C)C)nn1 ZINC000336465321 177319652 /nfs/dbraw/zinc/31/96/52/177319652.db2.gz JRAQMTLZOUCWQM-WDEREUQCSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@H]1C[C@@H](NCCc2ccco2)c2nccn21 ZINC000345359796 177332065 /nfs/dbraw/zinc/33/20/65/177332065.db2.gz YBMBRDHOLVFBKY-CMPLNLGQSA-N 0 1 231.299 2.314 20 0 BEADMN C[C@H]1C[C@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000336404339 177356529 /nfs/dbraw/zinc/35/65/29/177356529.db2.gz ZOSYUYZXXSIBGB-QWRGUYRKSA-N 0 1 249.358 2.192 20 0 BEADMN C[C@H]1C[C@H](C)CN(CC(=O)c2cccn2C)C1 ZINC000035018621 177359129 /nfs/dbraw/zinc/35/91/29/177359129.db2.gz BCNYBJKPCPUDLZ-RYUDHWBXSA-N 0 1 234.343 2.186 20 0 BEADMN C[C@H]1C[C@H](NCCc2ccco2)c2nccn21 ZINC000345359797 177369956 /nfs/dbraw/zinc/36/99/56/177369956.db2.gz YBMBRDHOLVFBKY-JQWIXIFHSA-N 0 1 231.299 2.314 20 0 BEADMN COC[C@H]1CCCN1Cc1nc(C)c(C)s1 ZINC000674875138 487640661 /nfs/dbraw/zinc/64/06/61/487640661.db2.gz FGILJWCQXKESNE-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1cc2c(cccc2F)[nH]1 ZINC000471810906 225083192 /nfs/dbraw/zinc/08/31/92/225083192.db2.gz QHUQGWJXXJATCE-GXSJLCMTSA-N 0 1 248.301 2.262 20 0 BEADMN COc1cccc(CNCc2ccn(C)c2)c1F ZINC000669683092 487646071 /nfs/dbraw/zinc/64/60/71/487646071.db2.gz OZTFVCYIADBIBZ-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCCOC(C)(C)C ZINC000674902800 487648254 /nfs/dbraw/zinc/64/82/54/487648254.db2.gz ODZGPORUXMPWLC-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@H]1CCCN1CN1CC2(CCCC2)OC1=O ZINC000495644339 226284220 /nfs/dbraw/zinc/28/42/20/226284220.db2.gz KEMQMPNDSUKLPM-NSHDSACASA-N 0 1 238.331 2.193 20 0 BEADMN C[C@H](N(C)CN1CC(C)(C)OC1=O)C1(C)CC1 ZINC000494059512 226260220 /nfs/dbraw/zinc/26/02/20/226260220.db2.gz TZBQGSCXMVGMRD-JTQLQIEISA-N 0 1 240.347 2.295 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1CN1CC(C)(C)OC1=O ZINC000496500879 226306593 /nfs/dbraw/zinc/30/65/93/226306593.db2.gz OKPIKSIGCKHFQI-JTQLQIEISA-N 0 1 240.347 2.295 20 0 BEADMN C[C@H]1CC(C)(C)CN1CN1CC(C)(C)OC1=O ZINC000496500879 226306594 /nfs/dbraw/zinc/30/65/94/226306594.db2.gz OKPIKSIGCKHFQI-JTQLQIEISA-N 0 1 240.347 2.295 20 0 BEADMN Cc1ccnc(NCCC[C@@H]2CCOC2)c1 ZINC000402219441 226368340 /nfs/dbraw/zinc/36/83/40/226368340.db2.gz OFYNNOFWDPURFJ-GFCCVEGCSA-N 0 1 220.316 2.041 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000674911213 487653774 /nfs/dbraw/zinc/65/37/74/487653774.db2.gz GZXHDXQHCPHYIX-TZMCWYRMSA-N 0 1 232.327 2.255 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCOC2(C)C)s1 ZINC000391875658 262756588 /nfs/dbraw/zinc/75/65/88/262756588.db2.gz NCIQVZWGGIIBCJ-CBAPKCEASA-N 0 1 241.360 2.065 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000675131689 487672415 /nfs/dbraw/zinc/67/24/15/487672415.db2.gz PGLKPCFKZZPWBM-VHSXEESVSA-N 0 1 235.331 2.134 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000675148111 487675334 /nfs/dbraw/zinc/67/53/34/487675334.db2.gz AOMMUZFXYQVVBN-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1CCCN(C(=O)C2(N(C)C)CC2)CC1 ZINC000668862728 487675498 /nfs/dbraw/zinc/67/54/98/487675498.db2.gz JYRREUATQVPXHA-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)CCN(C)CCCS(=O)(=O)C(C)C ZINC000675181252 487677730 /nfs/dbraw/zinc/67/77/30/487677730.db2.gz YWLADKDDLZRQJM-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN C1CN[C@@H](c2noc([C@@H]3CCCCS3)n2)C1 ZINC000087682063 487679237 /nfs/dbraw/zinc/67/92/37/487679237.db2.gz FROXYHOHUQYRFL-BDAKNGLRSA-N 0 1 239.344 2.452 20 0 BEADMN CCCC(C)(C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667645360 487691887 /nfs/dbraw/zinc/69/18/87/487691887.db2.gz NFRXASKVJHMCPV-SNVBAGLBSA-N 0 1 249.358 2.210 20 0 BEADMN CCC(C)(CC)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000681001446 487691765 /nfs/dbraw/zinc/69/17/65/487691765.db2.gz LRONYKODAGGCCL-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCO[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000681021276 487698177 /nfs/dbraw/zinc/69/81/77/487698177.db2.gz SGVAYXIKXQWYIU-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN Cc1cc(CN[C@H](CO)c2ccsc2)ccn1 ZINC000527538003 262855688 /nfs/dbraw/zinc/85/56/88/262855688.db2.gz IJUSJOOXRZWULZ-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cccc(S(=O)(=O)Nc2cccnc2)c1 ZINC000058707607 262922344 /nfs/dbraw/zinc/92/23/44/262922344.db2.gz VJNFWULTEPLOGE-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN C/C(Cl)=C\CN1CCOCC2(CC2)C1 ZINC000528442867 262948370 /nfs/dbraw/zinc/94/83/70/262948370.db2.gz MKSMBMUSYYXHMI-WTDSWWLTSA-N 0 1 215.724 2.241 20 0 BEADMN CCO[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000681021279 487698656 /nfs/dbraw/zinc/69/86/56/487698656.db2.gz SGVAYXIKXQWYIU-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683789989 487700297 /nfs/dbraw/zinc/70/02/97/487700297.db2.gz UOURRAWROALPAA-SVRRBLITSA-N 0 1 233.246 2.297 20 0 BEADMN CC/C=C\CCN1CC[N@H+](CC)[C@H](C)C1 ZINC000681023946 487700207 /nfs/dbraw/zinc/70/02/07/487700207.db2.gz BLRPJBKHOZTWLR-FMFIFOJESA-N 0 1 210.365 2.369 20 0 BEADMN Cc1cnn(C)c1CN[C@@H](C)c1cnccc1C ZINC000671718100 487705782 /nfs/dbraw/zinc/70/57/82/487705782.db2.gz JIWFOJIRIJADSJ-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000669712948 487716275 /nfs/dbraw/zinc/71/62/75/487716275.db2.gz CFGJISKXLZZISX-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)[C@H](C)N(C)C ZINC000674244606 487717704 /nfs/dbraw/zinc/71/77/04/487717704.db2.gz IZPFYDLQABMIBU-NWDGAFQWSA-N 0 1 228.380 2.269 20 0 BEADMN F[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC000902991819 584710193 /nfs/dbraw/zinc/71/01/93/584710193.db2.gz BWHQSGBUFFECDV-VIFPVBQESA-N 0 1 207.239 2.466 20 0 BEADMN CC(C)(C)OCCN1CCC[C@H](F)C1 ZINC000902994806 584712048 /nfs/dbraw/zinc/71/20/48/584712048.db2.gz IUXPPODXIYMZPB-JTQLQIEISA-N 0 1 203.301 2.235 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(F)c1 ZINC000070206782 487720187 /nfs/dbraw/zinc/72/01/87/487720187.db2.gz CMSVFLTURMNAFD-UHFFFAOYSA-N 0 1 219.219 2.110 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(F)cc1 ZINC000070206776 487720674 /nfs/dbraw/zinc/72/06/74/487720674.db2.gz ZXIKWDWPFWTSJV-UHFFFAOYSA-N 0 1 219.219 2.110 20 0 BEADMN Cc1cccc(CN(C)Cc2cnc[nH]2)c1F ZINC000668422212 487726860 /nfs/dbraw/zinc/72/68/60/487726860.db2.gz UCHQZGQPBQQJFZ-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN OC[C@H](CCF)NCc1cccc(Cl)c1F ZINC000652018267 487729364 /nfs/dbraw/zinc/72/93/64/487729364.db2.gz OGXYRKCDSUPVPF-VIFPVBQESA-N 0 1 249.688 2.289 20 0 BEADMN CCc1nc(CN(C)c2ccccc2OC)n[nH]1 ZINC000681209125 487749372 /nfs/dbraw/zinc/74/93/72/487749372.db2.gz WZPSSEBGPRLGGC-UHFFFAOYSA-N 0 1 246.314 2.012 20 0 BEADMN CC[C@@H]1CCC[C@@H](NCc2ncn(C)n2)CC1 ZINC000233924596 487752565 /nfs/dbraw/zinc/75/25/65/487752565.db2.gz YKRQXBKAPSVWRK-VXGBXAGGSA-N 0 1 236.363 2.264 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)[C@H](C)N(C)C)C1CC1 ZINC000674263382 487755472 /nfs/dbraw/zinc/75/54/72/487755472.db2.gz HDFOWUZRXZPFOX-TUAOUCFPSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000665958384 487756383 /nfs/dbraw/zinc/75/63/83/487756383.db2.gz YHROPLMCLZTICN-AAEUAGOBSA-N 0 1 234.343 2.204 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000674264874 487762529 /nfs/dbraw/zinc/76/25/29/487762529.db2.gz BSADZOWZJVZMFS-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nnsc1CN1CCS[C@H](C)CC1 ZINC000649593055 487766886 /nfs/dbraw/zinc/76/68/86/487766886.db2.gz DNSHAMALFXVLEH-MRVPVSSYSA-N 0 1 243.401 2.174 20 0 BEADMN CC[C@@H](C(=O)N1CCc2ccc(C)cc21)N(C)C ZINC000675719671 487769526 /nfs/dbraw/zinc/76/95/26/487769526.db2.gz DJIWHLFMPXNYEF-ZDUSSCGKSA-N 0 1 246.354 2.224 20 0 BEADMN c1c(CN2CCC[C@H](C3CC3)C2)nn2c1CCC2 ZINC000649612516 487769840 /nfs/dbraw/zinc/76/98/40/487769840.db2.gz HHIOKMNORPJCEW-ZDUSSCGKSA-N 0 1 245.370 2.451 20 0 BEADMN COc1cc(CN2C[C@H](C)C[C@@H](C)C2)on1 ZINC000659828943 487777193 /nfs/dbraw/zinc/77/71/93/487777193.db2.gz KRDIIYUVKMFDKK-NXEZZACHSA-N 0 1 224.304 2.161 20 0 BEADMN CCN(C(=O)[C@H](C)N(C)C)c1ccccc1C ZINC000674286523 487777213 /nfs/dbraw/zinc/77/72/13/487777213.db2.gz ZATAIWMWJSBMBY-LBPRGKRZSA-N 0 1 234.343 2.298 20 0 BEADMN CCC1CCC(CNC(=O)[C@H](C)N(C)C)CC1 ZINC000674286778 487777365 /nfs/dbraw/zinc/77/73/65/487777365.db2.gz AJSZCNRAXLIDGX-HIFPTAJRSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](c1cccs1)N(C)C(=O)[C@H](C)N(C)C ZINC000674286341 487777492 /nfs/dbraw/zinc/77/74/92/487777492.db2.gz UQKXZJBFCYQVNU-ZJUUUORDSA-N 0 1 240.372 2.218 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@H](C)C2)n[nH]1 ZINC000659828940 487777323 /nfs/dbraw/zinc/77/73/23/487777323.db2.gz KQNUGOMNBJPGRH-VHSXEESVSA-N 0 1 222.336 2.160 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@@H]1C1CCCC1)N(C)C ZINC000674286917 487778000 /nfs/dbraw/zinc/77/80/00/487778000.db2.gz HPEVFRSLHFEPAE-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN COc1cc(CN2CCC(C)CC2)sn1 ZINC000659829322 487778021 /nfs/dbraw/zinc/77/80/21/487778021.db2.gz PYSLJIAICFNACL-UHFFFAOYSA-N 0 1 226.345 2.384 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(O)cc1F ZINC000681337687 487780126 /nfs/dbraw/zinc/78/01/26/487780126.db2.gz QCWDLBKZSYSMKP-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN C[C@@H]1CCN(CCc2ccncc2)C[C@@H]1F ZINC000679220983 487784626 /nfs/dbraw/zinc/78/46/26/487784626.db2.gz KNPHATIHDUGVED-YPMHNXCESA-N 0 1 222.307 2.304 20 0 BEADMN C[C@@H]1CCN(CCOCC2CC2)C[C@H]1F ZINC000679224153 487786944 /nfs/dbraw/zinc/78/69/44/487786944.db2.gz NOPGVUOTCAOLDZ-ZYHUDNBSSA-N 0 1 215.312 2.093 20 0 BEADMN C[C@H]1OCCN(Cc2cccc(N(C)C)c2)[C@@H]1C ZINC000675897438 487789964 /nfs/dbraw/zinc/78/99/64/487789964.db2.gz WZQKBTUEMCSXFI-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)C1CC1 ZINC000164053764 487790383 /nfs/dbraw/zinc/79/03/83/487790383.db2.gz NXXKDGVPUCLCPD-VXNVDRBHSA-N 0 1 207.277 2.008 20 0 BEADMN O=C(C1CC1)[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000340573678 487794757 /nfs/dbraw/zinc/79/47/57/487794757.db2.gz FCHTXJRLCBOZII-OCCSQVGLSA-N 0 1 249.354 2.023 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CC12CCC2 ZINC000675941212 487794941 /nfs/dbraw/zinc/79/49/41/487794941.db2.gz LYAVTCZTGPOZHG-WDEREUQCSA-N 0 1 245.326 2.094 20 0 BEADMN FC1(CN2CCC(c3ccncn3)CC2)CC1 ZINC000666397036 487797698 /nfs/dbraw/zinc/79/76/98/487797698.db2.gz XVQIIDUCXVJZOK-UHFFFAOYSA-N 0 1 235.306 2.158 20 0 BEADMN COCCC1CN(Cc2ccc(F)cc2)C1 ZINC000668472195 487798131 /nfs/dbraw/zinc/79/81/31/487798131.db2.gz FQJWXOOUXWVMDY-UHFFFAOYSA-N 0 1 223.291 2.294 20 0 BEADMN CC(C)(C(=O)OC/C=C/Cl)N1CCCC1 ZINC000805613553 585740778 /nfs/dbraw/zinc/74/07/78/585740778.db2.gz RXRHHFPCRKLBSV-AATRIKPKSA-N 0 1 231.723 2.157 20 0 BEADMN Cc1cc(CNC(=O)C2=CCCCCC2)n[nH]1 ZINC000681475102 487801649 /nfs/dbraw/zinc/80/16/49/487801649.db2.gz CGUIXPWSBJALQJ-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN COc1ccnc(CN[C@@H]2CCCC2(C)C)n1 ZINC000450813559 487807261 /nfs/dbraw/zinc/80/72/61/487807261.db2.gz WGZDANAUAHRMFT-SNVBAGLBSA-N 0 1 235.331 2.154 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000651646335 487811351 /nfs/dbraw/zinc/81/13/51/487811351.db2.gz ZVEKXJFTCPVYKX-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC(C)(C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000651646335 487811355 /nfs/dbraw/zinc/81/13/55/487811355.db2.gz ZVEKXJFTCPVYKX-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN COCc1ccc(CN2CCCOC[C@@H]2C)o1 ZINC000678275115 487814360 /nfs/dbraw/zinc/81/43/60/487814360.db2.gz UHGYUWXKJSRUOC-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN CCN(CCCC(C)(C)C)CCS(C)(=O)=O ZINC000781905218 585805251 /nfs/dbraw/zinc/80/52/51/585805251.db2.gz WAEXRMXRZFFQES-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)[C@H](C)N(C)C ZINC000676191662 487818820 /nfs/dbraw/zinc/81/88/20/487818820.db2.gz WXZYIYNCMXONCG-FRRDWIJNSA-N 0 1 240.391 2.364 20 0 BEADMN c1coc([C@@H]2C[C@H]2NCc2nccs2)c1 ZINC000666484108 487819027 /nfs/dbraw/zinc/81/90/27/487819027.db2.gz ROQRSQSMLIEMMS-RKDXNWHRSA-N 0 1 220.297 2.382 20 0 BEADMN CCCc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)n[nH]1 ZINC000668058906 487822486 /nfs/dbraw/zinc/82/24/86/487822486.db2.gz QCVWAZTUQNMJSR-HBNTYKKESA-N 0 1 249.358 2.479 20 0 BEADMN COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)[O-] ZINC000676233211 487824140 /nfs/dbraw/zinc/82/41/40/487824140.db2.gz DTQKGQZKOURJAX-LBPRGKRZSA-N 0 1 249.310 2.307 20 0 BEADMN CC1(C)CN[C@@H]1c1nc(-c2ccsc2)no1 ZINC000666570907 487833455 /nfs/dbraw/zinc/83/34/55/487833455.db2.gz HNMGFMGZPQYICQ-MRVPVSSYSA-N 0 1 235.312 2.469 20 0 BEADMN CC1(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)CCC1 ZINC000309306077 487833646 /nfs/dbraw/zinc/83/36/46/487833646.db2.gz VQUZPAVZVLSIDI-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCCn1nccc1CN1[C@@H](C)C[C@@H]1C ZINC000668090928 487833647 /nfs/dbraw/zinc/83/36/47/487833647.db2.gz WKQHQPPZIFCCSA-QWRGUYRKSA-N 0 1 207.321 2.276 20 0 BEADMN CN[C@H](C)c1cn(CC2CCCCC2)nn1 ZINC000309314326 487835379 /nfs/dbraw/zinc/83/53/79/487835379.db2.gz NENFPMFENAJRQV-SNVBAGLBSA-N 0 1 222.336 2.139 20 0 BEADMN CN[C@@H](C)c1cn(CC2CCCCC2)nn1 ZINC000309314324 487835420 /nfs/dbraw/zinc/83/54/20/487835420.db2.gz NENFPMFENAJRQV-JTQLQIEISA-N 0 1 222.336 2.139 20 0 BEADMN FC1(F)[C@H]2CN(C[C@H]3CC3(Cl)Cl)C[C@H]21 ZINC000844446445 588194603 /nfs/dbraw/zinc/19/46/03/588194603.db2.gz DJHZGWUUKAWPQG-QYNIQEEDSA-N 0 1 242.096 2.377 20 0 BEADMN FC1(F)C[C@]12CCN(C/C=C\Cl)C2 ZINC000844472275 588198318 /nfs/dbraw/zinc/19/83/18/588198318.db2.gz WBURKICYZPRVDV-CJKINAQCSA-N 0 1 207.651 2.470 20 0 BEADMN CCCCN(C)Cc1cnc(Cl)n1C ZINC000848878294 588415829 /nfs/dbraw/zinc/41/58/29/588415829.db2.gz ZXPHFQYJUGDOAI-UHFFFAOYSA-N 0 1 215.728 2.305 20 0 BEADMN COCCN(CCF)[C@H]1C=CCCC1 ZINC000852483100 588684631 /nfs/dbraw/zinc/68/46/31/588684631.db2.gz AJVUAHMREQMSTP-NSHDSACASA-N 0 1 201.285 2.013 20 0 BEADMN ClC(Cl)=CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664079 588694501 /nfs/dbraw/zinc/69/45/01/588694501.db2.gz BTNSPLNXSQNGAG-IUCAKERBSA-N 0 1 236.142 2.274 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])nc1 ZINC000156661924 487844574 /nfs/dbraw/zinc/84/45/74/487844574.db2.gz MEHIACUMRXWZHO-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN COc1ccc(-n2[nH]c(C)c(C)c2=O)cc1 ZINC000108995857 487849584 /nfs/dbraw/zinc/84/95/84/487849584.db2.gz FXKOWEDVYFATFO-QMMMGPOBSA-N 0 1 218.256 2.054 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H](C)O1 ZINC000676463267 487852244 /nfs/dbraw/zinc/85/22/44/487852244.db2.gz UDMPEBUTIURPEW-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1cc([C@@H](C)NCCOC(C)(C)C)nn1C ZINC000558623453 322952477 /nfs/dbraw/zinc/95/24/77/322952477.db2.gz UFLXMTJCEOOEPV-LLVKDONJSA-N 0 1 239.363 2.194 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1cc[nH]n1 ZINC000651911590 487859868 /nfs/dbraw/zinc/85/98/68/487859868.db2.gz KGCGBDUNAZXYFZ-GXSJLCMTSA-N 0 1 207.321 2.324 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccn(C)c1 ZINC000651912687 487861101 /nfs/dbraw/zinc/86/11/01/487861101.db2.gz BGCIMBQBIRXPFU-KGLIPLIRSA-N 0 1 236.359 2.415 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)[C@@H](CC)CO1 ZINC000651912688 487861388 /nfs/dbraw/zinc/86/13/88/487861388.db2.gz BGCIMBQBIRXPFU-UONOGXRCSA-N 0 1 236.359 2.415 20 0 BEADMN COC[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000674470929 487862986 /nfs/dbraw/zinc/86/29/86/487862986.db2.gz YKAFDNBGNAXHHP-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H](C3CCC3)C2)on1 ZINC000653763351 487864799 /nfs/dbraw/zinc/86/47/99/487864799.db2.gz GJFTYQSHETWDSR-GFCCVEGCSA-N 0 1 248.326 2.499 20 0 BEADMN CCc1nc(COc2cc(C)nc(C)c2)no1 ZINC000152792079 322961618 /nfs/dbraw/zinc/96/16/18/322961618.db2.gz QSZQOYUVAKNAMH-UHFFFAOYSA-N 0 1 233.271 2.223 20 0 BEADMN CN(C(=O)c1cnc[nH]1)C(C)(C)c1ccccc1 ZINC000671891598 487872701 /nfs/dbraw/zinc/87/27/01/487872701.db2.gz PMHVHEOVNZOBBY-UHFFFAOYSA-N 0 1 243.310 2.417 20 0 BEADMN O=C(NCC1CCC1)c1cccc2nc[nH]c21 ZINC000676558592 487872833 /nfs/dbraw/zinc/87/28/33/487872833.db2.gz JBLRHNRCLHCAAH-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000003750178 487879036 /nfs/dbraw/zinc/87/90/36/487879036.db2.gz XKHPFVZRNHMIQI-JTQLQIEISA-N 0 1 239.340 2.353 20 0 BEADMN Cc1cc(NCc2[nH]nc3ccccc32)nn1C ZINC000676643797 487886293 /nfs/dbraw/zinc/88/62/93/487886293.db2.gz LHWKSOKYRNERRM-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCC(CC)CN[C@H](C)c1nnc(C)o1 ZINC000660272957 487886724 /nfs/dbraw/zinc/88/67/24/487886724.db2.gz SWVDKSFNGYHIFY-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN CCN(C)C(=O)CN(C)C(C)(C)c1ccccc1 ZINC000671245942 487891007 /nfs/dbraw/zinc/89/10/07/487891007.db2.gz LQKRSAVRKOCBIN-UHFFFAOYSA-N 0 1 248.370 2.332 20 0 BEADMN O=C(NC1CCCC1)c1cc(F)cc2nc[nH]c21 ZINC000048244549 487894911 /nfs/dbraw/zinc/89/49/11/487894911.db2.gz NSRVTVMANOXDLB-UHFFFAOYSA-N 0 1 247.273 2.374 20 0 BEADMN CC(C)CCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048244788 487895165 /nfs/dbraw/zinc/89/51/65/487895165.db2.gz HNYOZOFEUOBJHO-UHFFFAOYSA-N 0 1 249.289 2.478 20 0 BEADMN OC[C@]1(F)CCN(Cc2ccccc2C2CC2)C1 ZINC000670273517 487896664 /nfs/dbraw/zinc/89/66/64/487896664.db2.gz DEPFYEQZSGWKNP-HNNXBMFYSA-N 0 1 249.329 2.470 20 0 BEADMN Cc1ncc([C@H](C)N2CCC(C)(O)CC2)c(C)n1 ZINC000682075046 487899800 /nfs/dbraw/zinc/89/98/00/487899800.db2.gz XIOXKLHFODBKTH-NSHDSACASA-N 0 1 249.358 2.001 20 0 BEADMN Cn1ccc(CNC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000229303542 487902654 /nfs/dbraw/zinc/90/26/54/487902654.db2.gz YVZQITQNFMSYQK-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN CN(C)C(=O)[C@@H](c1ccccc1)N1CC=CCC1 ZINC000679323928 487904711 /nfs/dbraw/zinc/90/47/11/487904711.db2.gz MHIOZCNASUJGOE-CQSZACIVSA-N 0 1 244.338 2.078 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000083417536 487908299 /nfs/dbraw/zinc/90/82/99/487908299.db2.gz ZFVOTHJWLUXSMA-LBPRGKRZSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1occc1CNC(=O)c1ccc(F)cc1O ZINC000676761990 487922656 /nfs/dbraw/zinc/92/26/56/487922656.db2.gz UNJJUCXDTJYGNC-UHFFFAOYSA-N 0 1 249.241 2.363 20 0 BEADMN CCCN(C(=O)NCc1cc(C)[nH]n1)C(C)C ZINC000654451139 487925237 /nfs/dbraw/zinc/92/52/37/487925237.db2.gz JSZAJHNFYMBCHR-UHFFFAOYSA-N 0 1 238.335 2.048 20 0 BEADMN Clc1ccc(-n2cc(CNC3CC3)nn2)cc1 ZINC000090299479 487929956 /nfs/dbraw/zinc/92/99/56/487929956.db2.gz AFRHYQFDDVNGAY-UHFFFAOYSA-N 0 1 248.717 2.173 20 0 BEADMN Fc1ccccc1CN1CCc2cn[nH]c2C1 ZINC000676794378 487931157 /nfs/dbraw/zinc/93/11/57/487931157.db2.gz WNUXVFGSAVKKJA-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCOCC1)C(F)F ZINC000235194633 487932296 /nfs/dbraw/zinc/93/22/96/487932296.db2.gz JBZGCSTVJJSSJJ-JGVFFNPUSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@H](O)CCNc1cc[nH+]c2c([O-])cccc12 ZINC000682241934 487933368 /nfs/dbraw/zinc/93/33/68/487933368.db2.gz RNUDSZSTVFUSCH-VIFPVBQESA-N 0 1 232.283 2.123 20 0 BEADMN C[C@@H](N[C@H](C)C1CCOCC1)C(F)F ZINC000235222091 487936532 /nfs/dbraw/zinc/93/65/32/487936532.db2.gz JBZGCSTVJJSSJJ-HTQZYQBOSA-N 0 1 207.264 2.045 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H](CC)C(C)C)[nH]1 ZINC000182282121 487938827 /nfs/dbraw/zinc/93/88/27/487938827.db2.gz XTONGOABCPGASL-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H](CC)C(C)C)n1 ZINC000182282121 487938829 /nfs/dbraw/zinc/93/88/29/487938829.db2.gz XTONGOABCPGASL-SECBINFHSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CC=CCC1 ZINC000652392978 487942292 /nfs/dbraw/zinc/94/22/92/487942292.db2.gz OYUNJSYYSHDEBS-UHFFFAOYSA-N 0 1 235.283 2.302 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+]1CC=CCC1 ZINC000652392917 487942900 /nfs/dbraw/zinc/94/29/00/487942900.db2.gz KHFLFOHLHYSSDP-ZDUSSCGKSA-N 0 1 231.295 2.383 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000667177553 487953627 /nfs/dbraw/zinc/95/36/27/487953627.db2.gz URBATQPVJRGTMG-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)c1nsc(NCCN2CCCC2)n1 ZINC000083668633 322829040 /nfs/dbraw/zinc/82/90/40/322829040.db2.gz PDKQVRYFZMQSFV-UHFFFAOYSA-N 0 1 240.376 2.169 20 0 BEADMN C[C@@](O)(CN[C@@H]1CCCC[C@H]1F)C(F)(F)F ZINC000569568091 322970741 /nfs/dbraw/zinc/97/07/41/322970741.db2.gz CWKNERZQJXASFY-IWSPIJDZSA-N 0 1 243.244 2.170 20 0 BEADMN COc1cc(C)ccc1CNCc1cncn1C ZINC000151035503 323006177 /nfs/dbraw/zinc/00/61/77/323006177.db2.gz OKMWVOYVMWWQJC-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCCNC(=O)[C@H](C)N(CC)Cc1ccccc1 ZINC000151107559 323008714 /nfs/dbraw/zinc/00/87/14/323008714.db2.gz WDLZNHVQNUFWSW-ZDUSSCGKSA-N 0 1 248.370 2.423 20 0 BEADMN CC(C)OC[C@H]1CN(CC2(C)CCC2)CCO1 ZINC000562410135 323019263 /nfs/dbraw/zinc/01/92/63/323019263.db2.gz AZEFISFLMQWLPE-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1[nH]ncc1CNc1cnoc1C1CC1 ZINC000562573953 323024747 /nfs/dbraw/zinc/02/47/47/323024747.db2.gz KIKCNKAHHBSXBL-UHFFFAOYSA-N 0 1 218.260 2.196 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000323346084 323028665 /nfs/dbraw/zinc/02/86/65/323028665.db2.gz YWURGJGRPMSNJY-YOIVXCQUSA-N 0 1 245.322 2.496 20 0 BEADMN Cc1occc1CN1CC[C@H](OC(F)F)C1 ZINC000562741775 323029653 /nfs/dbraw/zinc/02/96/53/323029653.db2.gz BMOYXSDZWVNNQJ-JTQLQIEISA-N 0 1 231.242 2.402 20 0 BEADMN C[C@H]1CCCN1Cc1cnn(C)c1C(F)(F)F ZINC000151891827 323032498 /nfs/dbraw/zinc/03/24/98/323032498.db2.gz DGHRLQZAWBIZAQ-QMMMGPOBSA-N 0 1 247.264 2.423 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2ncccc2[O-])CC1 ZINC000562900972 323033104 /nfs/dbraw/zinc/03/31/04/323033104.db2.gz AZXUEWCATDXICQ-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2[O-])CC1 ZINC000562900972 323033105 /nfs/dbraw/zinc/03/31/05/323033105.db2.gz AZXUEWCATDXICQ-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1snnc1C ZINC000569658288 323035802 /nfs/dbraw/zinc/03/58/02/323035802.db2.gz QJMSDAYNIJNLQJ-MRVPVSSYSA-N 0 1 245.417 2.420 20 0 BEADMN C[C@H]1CC[N@@H+](CC2(C(=O)[O-])CC2)CC1(C)C ZINC000569700899 323037517 /nfs/dbraw/zinc/03/75/17/323037517.db2.gz LYJGVBWIBQPLFS-JTQLQIEISA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)CC1 ZINC000569707243 323037875 /nfs/dbraw/zinc/03/78/75/323037875.db2.gz WRPMAAMQMRJQBJ-NEPJUHHUSA-N 0 1 249.358 2.237 20 0 BEADMN COC1(CSc2nc(C3CC3)n[nH]2)CCC1 ZINC000570038240 323047995 /nfs/dbraw/zinc/04/79/95/323047995.db2.gz FPNVCTPIKHFMKD-UHFFFAOYSA-N 0 1 239.344 2.343 20 0 BEADMN COC1(CSc2n[nH]c(C3CC3)n2)CCC1 ZINC000570038240 323047996 /nfs/dbraw/zinc/04/79/96/323047996.db2.gz FPNVCTPIKHFMKD-UHFFFAOYSA-N 0 1 239.344 2.343 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2ncccc2[O-])[C@@H]1C ZINC000570365317 323057512 /nfs/dbraw/zinc/05/75/12/323057512.db2.gz HJAMWXWHPANCSR-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2[O-])[C@@H]1C ZINC000570365317 323057513 /nfs/dbraw/zinc/05/75/13/323057513.db2.gz HJAMWXWHPANCSR-GHMZBOCLSA-N 0 1 220.316 2.408 20 0 BEADMN Cc1nsc(C)c1C[N@H+](C)[C@@H]1CCCOC1 ZINC000570814065 323071398 /nfs/dbraw/zinc/07/13/98/323071398.db2.gz WFHAUFIIANGIBL-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1nsc(C)c1CN(C)[C@@H]1CCCOC1 ZINC000570814065 323071399 /nfs/dbraw/zinc/07/13/99/323071399.db2.gz WFHAUFIIANGIBL-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1nsc(C)c1C[N@H+](C)[C@H]1CCCOC1 ZINC000570814071 323071401 /nfs/dbraw/zinc/07/14/01/323071401.db2.gz WFHAUFIIANGIBL-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN Cc1nsc(C)c1CN(C)[C@H]1CCCOC1 ZINC000570814071 323071402 /nfs/dbraw/zinc/07/14/02/323071402.db2.gz WFHAUFIIANGIBL-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN C[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1csnn1 ZINC000570908158 323074007 /nfs/dbraw/zinc/07/40/07/323074007.db2.gz XKRGFIROXKZBBC-UTINFBMNSA-N 0 1 223.345 2.377 20 0 BEADMN C[C@@H](NCCOC[C@H]1CCCO1)c1ccco1 ZINC000053557312 323077087 /nfs/dbraw/zinc/07/70/87/323077087.db2.gz BTFQKSZEPHLADQ-VXGBXAGGSA-N 0 1 239.315 2.126 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CCC1(C)C ZINC000309277635 323081992 /nfs/dbraw/zinc/08/19/92/323081992.db2.gz HEBWDOSUOXLGLK-SNVBAGLBSA-N 0 1 222.336 2.137 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C)[C@@H]2CCCC[C@@H]12 ZINC000531416539 323089051 /nfs/dbraw/zinc/08/90/51/323089051.db2.gz MKOWLUAPCGJCSV-FRRDWIJNSA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CCCCC1 ZINC000570981744 323102795 /nfs/dbraw/zinc/10/27/95/323102795.db2.gz WATQDUMXGMADOY-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)=CC[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000570986204 323102889 /nfs/dbraw/zinc/10/28/89/323102889.db2.gz PNBWGHMUYADBLT-SNVBAGLBSA-N 0 1 211.305 2.280 20 0 BEADMN COCCCCn1c(C)nc2c1CCCC2 ZINC000160733351 323104121 /nfs/dbraw/zinc/10/41/21/323104121.db2.gz SNJKAVSSEQCHRR-UHFFFAOYSA-N 0 1 222.332 2.497 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@H]1O)c1cccc(F)c1F ZINC000393511103 323106364 /nfs/dbraw/zinc/10/63/64/323106364.db2.gz JOGOMSXVDYJOCT-AVPPRXQKSA-N 0 1 227.254 2.139 20 0 BEADMN Cc1cccc(CCC[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000563277951 323107574 /nfs/dbraw/zinc/10/75/74/323107574.db2.gz QNKJCXAUXJRWQZ-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC12CCC(CC1)C2 ZINC000563282358 323108224 /nfs/dbraw/zinc/10/82/24/323108224.db2.gz KABPLMNCTXSGNH-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nc([C@@H](C)Sc2nc3c([nH]2)CCC3)n[nH]1 ZINC000563309586 323118812 /nfs/dbraw/zinc/11/88/12/323118812.db2.gz ZEDCDOWGDAMWBN-ZCFIWIBFSA-N 0 1 249.343 2.178 20 0 BEADMN COC(C)(C)CC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000563455240 323127245 /nfs/dbraw/zinc/12/72/45/323127245.db2.gz KYVSXGITCDBPRN-SNVBAGLBSA-N 0 1 243.347 2.129 20 0 BEADMN CCc1noc([C@@H](C)N2CC[C@@H](CC)C2)n1 ZINC000246316619 323128097 /nfs/dbraw/zinc/12/80/97/323128097.db2.gz WRTQJZIUEPGOKA-NXEZZACHSA-N 0 1 223.320 2.425 20 0 BEADMN C[N@H+](Cc1ncccc1O)CC1CCCC1 ZINC000563570206 323130353 /nfs/dbraw/zinc/13/03/53/323130353.db2.gz ALIAHNHADVCUKA-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])CC1CCCC1 ZINC000563570206 323130354 /nfs/dbraw/zinc/13/03/54/323130354.db2.gz ALIAHNHADVCUKA-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])CC1CCCC1 ZINC000563570206 323130355 /nfs/dbraw/zinc/13/03/55/323130355.db2.gz ALIAHNHADVCUKA-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CN(Cc1ccno1)C1CC(OC(C)(C)C)C1 ZINC000571192875 323137699 /nfs/dbraw/zinc/13/76/99/323137699.db2.gz XGWFXBCWBYGZTA-UHFFFAOYSA-N 0 1 238.331 2.453 20 0 BEADMN CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccoc1C ZINC000571265182 323139557 /nfs/dbraw/zinc/13/95/57/323139557.db2.gz QAEZJHUZWMXGDV-CYBMUJFWSA-N 0 1 222.332 2.114 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CCO[C@H]2C)n1 ZINC000571282966 323140176 /nfs/dbraw/zinc/14/01/76/323140176.db2.gz CBUAWAAYQRUHLR-AEJSXWLSSA-N 0 1 239.319 2.008 20 0 BEADMN CC(C)=CC[N@H+](C)Cc1cnn(C)c1C ZINC000571479513 323145793 /nfs/dbraw/zinc/14/57/93/323145793.db2.gz OJDLQTAIFCHLDH-UHFFFAOYSA-N 0 1 207.321 2.127 20 0 BEADMN O=S(=O)(CCC1=CCCCC1)c1ncc[nH]1 ZINC000571503479 323146092 /nfs/dbraw/zinc/14/60/92/323146092.db2.gz BKBLZUBODIOLCA-UHFFFAOYSA-N 0 1 240.328 2.074 20 0 BEADMN Cc1ccncc1C[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000571571819 323148276 /nfs/dbraw/zinc/14/82/76/323148276.db2.gz XHIJHTPAUKNJAN-NSHDSACASA-N 0 1 248.326 2.075 20 0 BEADMN CN(CC1CC1)C(=O)c1cccc2n[nH]cc21 ZINC000048800567 323155478 /nfs/dbraw/zinc/15/54/78/323155478.db2.gz VQDDZLWUNQROPV-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN CC(F)(F)CNc1nnc(C(F)F)o1 ZINC000306820081 323169515 /nfs/dbraw/zinc/16/95/15/323169515.db2.gz DGTNZKGDUFHBGX-UHFFFAOYSA-N 0 1 213.134 2.074 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)ccc1F ZINC000070212119 323173709 /nfs/dbraw/zinc/17/37/09/323173709.db2.gz URRXBFCSZHWHPA-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN CC(C)n1cncc1CN1CC[C@@H]1C1CC1 ZINC000425370647 323173966 /nfs/dbraw/zinc/17/39/66/323173966.db2.gz OULNNFKXXAIPMZ-CYBMUJFWSA-N 0 1 219.332 2.448 20 0 BEADMN CC[C@@H](C)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000563726169 323175909 /nfs/dbraw/zinc/17/59/09/323175909.db2.gz YLRUVDOOVFJZOA-LLVKDONJSA-N 0 1 215.337 2.465 20 0 BEADMN CCSCCNCc1ncccc1F ZINC000308624088 323176526 /nfs/dbraw/zinc/17/65/26/323176526.db2.gz VGLZQZUIBCXWGJ-UHFFFAOYSA-N 0 1 214.309 2.063 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ncn(C)n1 ZINC000391947378 323183677 /nfs/dbraw/zinc/18/36/77/323183677.db2.gz XOYLIEUSJGHSJO-NOOOWODRSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@@H](NCC1(C)CCC1)c1csnn1 ZINC000398355869 323185479 /nfs/dbraw/zinc/18/54/79/323185479.db2.gz ZKTQGEZIHDGAND-MRVPVSSYSA-N 0 1 211.334 2.379 20 0 BEADMN CCN(Cc1c(C)noc1C)C[C@H]1CCCO1 ZINC000051555210 323189632 /nfs/dbraw/zinc/18/96/32/323189632.db2.gz BEQNDYVYNXVBEP-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CCc1ccc(CN(CC(N)=O)C(C)C)s1 ZINC000535780183 323191123 /nfs/dbraw/zinc/19/11/23/323191123.db2.gz NTQKMOPEGXZJFD-UHFFFAOYSA-N 0 1 240.372 2.006 20 0 BEADMN Cn1ccc(CN(C2CC2)C2CCCC2)n1 ZINC000535782667 323191154 /nfs/dbraw/zinc/19/11/54/323191154.db2.gz JJIVFQOJBSXKAI-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN Cc1cc(CC(=O)NCC[C@H]2CC=CCC2)[nH]n1 ZINC000529870652 323193354 /nfs/dbraw/zinc/19/33/54/323193354.db2.gz VVYZNTJDBKIWSA-LBPRGKRZSA-N 0 1 247.342 2.123 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054298144 323204057 /nfs/dbraw/zinc/20/40/57/323204057.db2.gz BRPKGPNCOVXGES-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN CC1=C(C(=O)NCc2n[nH]c(C(C)C)n2)CCC1 ZINC000563936796 323327313 /nfs/dbraw/zinc/32/73/13/323327313.db2.gz LWEIYFFXXSAPOL-UHFFFAOYSA-N 0 1 248.330 2.045 20 0 BEADMN Cc1nnsc1CN1CC(C)(C)C[C@@H]1C ZINC000563960825 323332467 /nfs/dbraw/zinc/33/24/67/323332467.db2.gz UFRJYBGQYMXHIB-QMMMGPOBSA-N 0 1 225.361 2.467 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NCc2cc[nH]n2)CS1 ZINC000309397262 323372505 /nfs/dbraw/zinc/37/25/05/323372505.db2.gz VQFJPWHTDPOBLO-QWRGUYRKSA-N 0 1 239.388 2.420 20 0 BEADMN C[C@H](CNCc1ccc(CO)o1)C(F)(F)F ZINC000309416459 323394717 /nfs/dbraw/zinc/39/47/17/323394717.db2.gz YUAJOPHCWCOGFB-SSDOTTSWSA-N 0 1 237.221 2.060 20 0 BEADMN OCc1ccc(CN2CCC(C(F)F)CC2)o1 ZINC000307853545 323425315 /nfs/dbraw/zinc/42/53/15/323425315.db2.gz HRTFLHAXDPTGKT-UHFFFAOYSA-N 0 1 245.269 2.249 20 0 BEADMN CC(=O)c1cc(CN2C[C@H]3CCC[C@@H]3C2)on1 ZINC000571962528 323512734 /nfs/dbraw/zinc/51/27/34/323512734.db2.gz WMGXGRFNGOSEKP-GHMZBOCLSA-N 0 1 234.299 2.109 20 0 BEADMN C[C@@H](Cn1cccn1)N[C@@H](C)c1ncccc1F ZINC000528036893 323745128 /nfs/dbraw/zinc/74/51/28/323745128.db2.gz ZZAWLARJTQGWBX-QWRGUYRKSA-N 0 1 248.305 2.157 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1CCN(C)CC1 ZINC000057754202 323932261 /nfs/dbraw/zinc/93/22/61/323932261.db2.gz XZVDBZIBLKSXRL-SNVBAGLBSA-N 0 1 240.297 2.273 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2ccc(F)cc21 ZINC000059006060 324001460 /nfs/dbraw/zinc/00/14/60/324001460.db2.gz BSEVSRAPRNGGQH-UHFFFAOYSA-N 0 1 245.257 2.060 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2CCCN(C)C2=O)c1 ZINC000537600893 324083456 /nfs/dbraw/zinc/08/34/56/324083456.db2.gz QUKDRPVQVXKTSX-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@@H](NCC(F)F)C[C@@H]1C ZINC000459539608 324148050 /nfs/dbraw/zinc/14/80/50/324148050.db2.gz CDTOQWPHPLCVHQ-IVZWLZJFSA-N 0 1 249.301 2.209 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1cnccn1 ZINC000187653420 324183918 /nfs/dbraw/zinc/18/39/18/324183918.db2.gz KALYUNOXHOFKNU-QWRGUYRKSA-N 0 1 235.331 2.085 20 0 BEADMN COCCO[C@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528420741 324218173 /nfs/dbraw/zinc/21/81/73/324218173.db2.gz BBWIHVMKCDRARY-JVOXIWMLSA-N 0 1 247.766 2.256 20 0 BEADMN c1snnc1CNC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668581085 487962748 /nfs/dbraw/zinc/96/27/48/487962748.db2.gz VEXGGDBJAZRMIJ-ATZCPNFKSA-N 0 1 223.345 2.064 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)[C@@H]2C[C@H]2C2CC2)n1 ZINC000529554607 324340883 /nfs/dbraw/zinc/34/08/83/324340883.db2.gz HRURZEIFXXZERG-OSTYVCCYSA-N 0 1 235.331 2.463 20 0 BEADMN CC(C)Cc1ccccc1CNC(=O)CN(C)C ZINC000529569646 324346389 /nfs/dbraw/zinc/34/63/89/324346389.db2.gz PHAUGKWPLKYROI-UHFFFAOYSA-N 0 1 248.370 2.063 20 0 BEADMN COCCC1(C)CN(Cc2ccnc(C)c2)C1 ZINC000529608527 324363572 /nfs/dbraw/zinc/36/35/72/324363572.db2.gz MTNUOYMSYIPOJV-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CS[C@H]1CC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000564207129 324718410 /nfs/dbraw/zinc/71/84/10/324718410.db2.gz QQWMKKGPKPEISQ-RYUDHWBXSA-N 0 1 239.388 2.448 20 0 BEADMN C[C@@]1(CCNCc2csnn2)CC1(F)F ZINC000668583809 487966152 /nfs/dbraw/zinc/96/61/52/487966152.db2.gz LYTCYUXZOLCLJJ-MRVPVSSYSA-N 0 1 233.287 2.063 20 0 BEADMN CC[C@H](NC[C@@H](OC)C(C)C)c1ccn(C)n1 ZINC000542678015 325041407 /nfs/dbraw/zinc/04/14/07/325041407.db2.gz ORXVBLKMIUZVPA-WCQYABFASA-N 0 1 239.363 2.132 20 0 BEADMN C[C@@H](NCc1ccc2nc[nH]c2c1)c1ccon1 ZINC000542708521 325043140 /nfs/dbraw/zinc/04/31/40/325043140.db2.gz BVJUQGDAZOOJLY-SECBINFHSA-N 0 1 242.282 2.402 20 0 BEADMN CCCn1c(C)nnc1CNC1(C2CC2)CC1 ZINC000543453367 325089613 /nfs/dbraw/zinc/08/96/13/325089613.db2.gz KNTDFFUGIFVRFV-UHFFFAOYSA-N 0 1 234.347 2.029 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@H]2CCCOC2)o1 ZINC000543505033 325091774 /nfs/dbraw/zinc/09/17/74/325091774.db2.gz NSLZNOSIQIQXJW-MNOVXSKESA-N 0 1 238.331 2.142 20 0 BEADMN CCCCOCCN[C@@H](CC)c1ccn(C)n1 ZINC000543595916 325095839 /nfs/dbraw/zinc/09/58/39/325095839.db2.gz PHOIDTCWPJXGBA-LBPRGKRZSA-N 0 1 239.363 2.278 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])Cc1cccc(O)c1 ZINC000544057310 325129582 /nfs/dbraw/zinc/12/95/82/325129582.db2.gz FHVQHTSVJXYQRD-UHFFFAOYSA-N 0 1 237.299 2.079 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cc(F)ccc1F ZINC000544759947 325158421 /nfs/dbraw/zinc/15/84/21/325158421.db2.gz XRBUHZOUHJVHGP-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CCC1(C)CCN(c2ccncc2C(N)=O)CC1 ZINC000545157141 325180926 /nfs/dbraw/zinc/18/09/26/325180926.db2.gz AXBMFKHXUDGHQV-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000073599926 325206085 /nfs/dbraw/zinc/20/60/85/325206085.db2.gz CWZXBETVTZJICQ-QWHCGFSZSA-N 0 1 248.370 2.422 20 0 BEADMN CN(CCOCC(F)(F)F)Cc1cccnc1 ZINC000132634632 325231883 /nfs/dbraw/zinc/23/18/83/325231883.db2.gz RTFIJCSWPIQGCJ-UHFFFAOYSA-N 0 1 248.248 2.092 20 0 BEADMN Cc1cc(O)ccc1NC(=O)c1ncccc1O ZINC000132679876 325236913 /nfs/dbraw/zinc/23/69/13/325236913.db2.gz NMLGJQSKHNVDPP-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)n[nH]1 ZINC000133479318 325296671 /nfs/dbraw/zinc/29/66/71/325296671.db2.gz IZHVAPJLAPLECO-KOLCDFICSA-N 0 1 235.331 2.369 20 0 BEADMN CCC[C@]1(C)CCC[N@@H+](CC(=O)NCC)C1 ZINC000076145913 325333565 /nfs/dbraw/zinc/33/35/65/325333565.db2.gz UUEQPSBYZCTGLE-CYBMUJFWSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)C1CC1 ZINC000076940880 325360203 /nfs/dbraw/zinc/36/02/03/325360203.db2.gz DYDYACUCECRLLV-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000077242180 325371094 /nfs/dbraw/zinc/37/10/94/325371094.db2.gz SKKAGVRSFPLNCX-GFCCVEGCSA-N 0 1 234.343 2.158 20 0 BEADMN CCCC[C@H](C(=O)OC)N1[C@H](C)C[C@H]1C ZINC000548097700 325427389 /nfs/dbraw/zinc/42/73/89/325427389.db2.gz UPFVPRSZVFYUHJ-GMTAPVOTSA-N 0 1 213.321 2.201 20 0 BEADMN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccno1 ZINC000548165246 325438207 /nfs/dbraw/zinc/43/82/07/325438207.db2.gz YEIMBQGBUITUBS-OLZOCXBDSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)[C@H]1CCCN(c2ccncc2C(N)=O)C1 ZINC000548365342 325450700 /nfs/dbraw/zinc/45/07/00/325450700.db2.gz VBCCFOVCIFAAKP-NSHDSACASA-N 0 1 247.342 2.053 20 0 BEADMN COC[C@@H](N[C@H](C)c1nccs1)C(C)C ZINC000083398050 325567727 /nfs/dbraw/zinc/56/77/27/325567727.db2.gz XZXZQHCUEMODMC-NXEZZACHSA-N 0 1 228.361 2.465 20 0 BEADMN CCOc1ncccc1CNCc1cc[nH]c1 ZINC000086250136 325612463 /nfs/dbraw/zinc/61/24/63/325612463.db2.gz QWNZGZRDRAUCGG-UHFFFAOYSA-N 0 1 231.299 2.098 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1nccs1 ZINC000565048313 325851647 /nfs/dbraw/zinc/85/16/47/325851647.db2.gz LICSBAHSAPKSTH-VHSXEESVSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000566298612 326030297 /nfs/dbraw/zinc/03/02/97/326030297.db2.gz XSUCHGMJFFXKFW-CQSZACIVSA-N 0 1 248.326 2.327 20 0 BEADMN CC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000566368520 326036028 /nfs/dbraw/zinc/03/60/28/326036028.db2.gz WURDNEHHEOWJMJ-GUBZILKMSA-N 0 1 247.285 2.217 20 0 BEADMN CC[C@@]1(C)CCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000566359356 326036949 /nfs/dbraw/zinc/03/69/49/326036949.db2.gz RJMXZWNPDDFPIF-YPMHNXCESA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)[O-] ZINC000566362329 326037633 /nfs/dbraw/zinc/03/76/33/326037633.db2.gz RYEQAAQHGHYQIQ-SNVBAGLBSA-N 0 1 246.310 2.463 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000566432741 326046391 /nfs/dbraw/zinc/04/63/91/326046391.db2.gz IFTSMDJXQQCSJU-UTUOFQBUSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C1CCCC1 ZINC000566465919 326051496 /nfs/dbraw/zinc/05/14/96/326051496.db2.gz MPPGWPUXBUMDGT-QWRGUYRKSA-N 0 1 249.358 2.283 20 0 BEADMN O=C(c1cccc(C(F)(F)F)c1O)N1CCC1 ZINC000566569962 326065290 /nfs/dbraw/zinc/06/52/90/326065290.db2.gz GXBKKOYXTXJDHO-UHFFFAOYSA-N 0 1 245.200 2.257 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CC(F)(F)C1)C1CCC1 ZINC000566630809 326070715 /nfs/dbraw/zinc/07/07/15/326070715.db2.gz FIEOLWNWESCCDQ-QMMMGPOBSA-N 0 1 247.285 2.359 20 0 BEADMN COc1cc(CN2[C@@H](C)C[C@@H]2C)cc2c1OCO2 ZINC000566720931 326076795 /nfs/dbraw/zinc/07/67/95/326076795.db2.gz YVKAUXRJJXYQIF-UWVGGRQHSA-N 0 1 249.310 2.407 20 0 BEADMN Clc1ccc([C@H]2CCN2Cc2c[nH]nn2)cc1 ZINC000566837435 326086716 /nfs/dbraw/zinc/08/67/16/326086716.db2.gz QZYVPGHAAYWHNP-GFCCVEGCSA-N 0 1 248.717 2.405 20 0 BEADMN CC(C)(O)CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000566891593 326091245 /nfs/dbraw/zinc/09/12/45/326091245.db2.gz HHLCHHKKLNZMMT-UHFFFAOYSA-N 0 1 247.298 2.053 20 0 BEADMN CC[C@@H]1CCCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000567120537 326119677 /nfs/dbraw/zinc/11/96/77/326119677.db2.gz FUMPSGLNMWZJES-NWDGAFQWSA-N 0 1 248.374 2.462 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000567173320 326129473 /nfs/dbraw/zinc/12/94/73/326129473.db2.gz VWTTUGRUOACJEK-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1CC[C@@H](F)C1 ZINC000567255270 326151334 /nfs/dbraw/zinc/15/13/34/326151334.db2.gz RNCBLKUGPMJOSV-NXEZZACHSA-N 0 1 241.262 2.046 20 0 BEADMN CCc1nnc([C@@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000309669775 326163600 /nfs/dbraw/zinc/16/36/00/326163600.db2.gz VOEZSWQOCNQNOO-RKDXNWHRSA-N 0 1 223.320 2.471 20 0 BEADMN CCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000154972335 326176669 /nfs/dbraw/zinc/17/66/69/326176669.db2.gz FAQSYXFNCMTUKY-UHFFFAOYSA-N 0 1 231.299 2.288 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cnc(C2CC2)s1 ZINC000309966632 326177429 /nfs/dbraw/zinc/17/74/29/326177429.db2.gz NSLCOSZIZLKWJM-QWRGUYRKSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1cccc2nc(CNC(=O)C3CCC3)[nH]c21 ZINC000155033658 326180646 /nfs/dbraw/zinc/18/06/46/326180646.db2.gz HAVACLGYKZMRPB-UHFFFAOYSA-N 0 1 243.310 2.288 20 0 BEADMN CCOC[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156484898 326233979 /nfs/dbraw/zinc/23/39/79/326233979.db2.gz ONHYJDZWHXQJAW-CMPLNLGQSA-N 0 1 241.331 2.290 20 0 BEADMN CC[C@@]1(C)CN(CCc2ccncc2C)CCO1 ZINC000567730247 326252321 /nfs/dbraw/zinc/25/23/21/326252321.db2.gz ZWTYNIPGNBQEJJ-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CC(C)C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC000157600262 326285834 /nfs/dbraw/zinc/28/58/34/326285834.db2.gz LDHGFXSILWMESK-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CC[N@@H+](CC(C)C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000568059564 326301915 /nfs/dbraw/zinc/30/19/15/326301915.db2.gz FJNONYKHIHLROA-GFCCVEGCSA-N 0 1 236.315 2.185 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000568067502 326303319 /nfs/dbraw/zinc/30/33/19/326303319.db2.gz WXRCPLHNCQBSIG-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H](C)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000568074391 326304911 /nfs/dbraw/zinc/30/49/11/326304911.db2.gz GWZRPCMQTBJUFN-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1nnc(CN2CCC3(CCCC3)CC2)n1C ZINC000158368005 326316164 /nfs/dbraw/zinc/31/61/64/326316164.db2.gz BRIGIPVHQGIPOH-UHFFFAOYSA-N 0 1 248.374 2.280 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC[C@H](C)C(C)(C)C1 ZINC000568168196 326318620 /nfs/dbraw/zinc/31/86/20/326318620.db2.gz ZTHGGIUHFJNYSC-QWRGUYRKSA-N 0 1 248.374 2.318 20 0 BEADMN CCCN(C(=O)CN(CC)C1CC1)C(C)C ZINC000568172397 326319757 /nfs/dbraw/zinc/31/97/57/326319757.db2.gz PCQCNHNDBDVGLA-UHFFFAOYSA-N 0 1 226.364 2.118 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1cnccn1 ZINC000568364715 326349730 /nfs/dbraw/zinc/34/97/30/326349730.db2.gz KQSCYAUJNRWFDF-LLVKDONJSA-N 0 1 239.388 2.440 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC12CCC(CC1)C2 ZINC000568641092 326370537 /nfs/dbraw/zinc/37/05/37/326370537.db2.gz CNQFTIHBRGMZDS-KTEZZQQRSA-N 0 1 237.343 2.362 20 0 BEADMN CCOc1ccccc1CN[C@H]1C[C@@H]1OCC ZINC000569185620 326394083 /nfs/dbraw/zinc/39/40/83/326394083.db2.gz FMNXPMDLFYSCKG-JSGCOSHPSA-N 0 1 235.327 2.352 20 0 BEADMN CCN(Cc1snnc1C)CC1CCC1 ZINC000569248344 326397834 /nfs/dbraw/zinc/39/78/34/326397834.db2.gz LOGJSPSBNDENBX-UHFFFAOYSA-N 0 1 225.361 2.469 20 0 BEADMN CCC[C@H](CC)S(=O)(=O)Nc1cnoc1C ZINC000572942001 326419928 /nfs/dbraw/zinc/41/99/28/326419928.db2.gz HIJVHZNXDQZVAH-VIFPVBQESA-N 0 1 246.332 2.303 20 0 BEADMN Cc1ccc(CN(C)C[C@H](C)O)c(Cl)c1 ZINC000235542264 487980909 /nfs/dbraw/zinc/98/09/09/487980909.db2.gz BKRDUJUUBAZKCB-JTQLQIEISA-N 0 1 227.735 2.461 20 0 BEADMN CCN1CCN(C(=O)Nc2ccccc2)C[C@@H]1C ZINC000677141635 487981928 /nfs/dbraw/zinc/98/19/28/487981928.db2.gz GZTWZNUAELQZKQ-LBPRGKRZSA-N 0 1 247.342 2.245 20 0 BEADMN C[C@@]12COC[C@H]1CN(Cc1ccc(Cl)o1)C2 ZINC000668595532 487982002 /nfs/dbraw/zinc/98/20/02/487982002.db2.gz POHQUOXAQMMYNH-BXKDBHETSA-N 0 1 241.718 2.401 20 0 BEADMN CCN1CCN(c2nc(C)c(C)s2)C[C@H]1C ZINC000677153223 487984103 /nfs/dbraw/zinc/98/41/03/487984103.db2.gz NNQXOUVVKOPLDW-SECBINFHSA-N 0 1 239.388 2.290 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)N(C)C ZINC000666028359 487987295 /nfs/dbraw/zinc/98/72/95/487987295.db2.gz UYMOYGRNJHWANH-QJPTWQEYSA-N 0 1 240.391 2.268 20 0 BEADMN CCN1CCN(C(=O)c2cccc(C)c2)C[C@@H]1C ZINC000677176564 487992039 /nfs/dbraw/zinc/99/20/39/487992039.db2.gz GSNFQYPYDLFBSD-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CC[N@@H+]([C@H](C)c2ccncc2)C[C@@H]1C ZINC000677193234 487994102 /nfs/dbraw/zinc/99/41/02/487994102.db2.gz XGEXIHPGFCZGJW-QWHCGFSZSA-N 0 1 233.359 2.169 20 0 BEADMN C[N@@H+](Cc1ccsc1)[C@@H](C(=O)[O-])C1CC1 ZINC000084093468 488003533 /nfs/dbraw/zinc/00/35/33/488003533.db2.gz YKXFTOYECJMIEB-SNVBAGLBSA-N 0 1 225.313 2.043 20 0 BEADMN C[N@@H+](Cc1ccsc1)[C@H](C(=O)[O-])C1CC1 ZINC000084093464 488003155 /nfs/dbraw/zinc/00/31/55/488003155.db2.gz YKXFTOYECJMIEB-JTQLQIEISA-N 0 1 225.313 2.043 20 0 BEADMN [O-]c1cccc2c(NC[C@H](O)C3CC3)cc[nH+]c12 ZINC000682663927 488007855 /nfs/dbraw/zinc/00/78/55/488007855.db2.gz NIVGUIJLDVUFLG-ZDUSSCGKSA-N 0 1 244.294 2.123 20 0 BEADMN CCN(CC)Cc1c(C(F)(F)F)cnn1C ZINC000667469686 488015618 /nfs/dbraw/zinc/01/56/18/488015618.db2.gz AMXQQIQASLJXDL-UHFFFAOYSA-N 0 1 235.253 2.281 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ncn(C)n1 ZINC000391830705 488019404 /nfs/dbraw/zinc/01/94/04/488019404.db2.gz GVPWIVBODCEQPA-WHOHXGKFSA-N 0 1 236.363 2.290 20 0 BEADMN CC(C)N(CCO)Cc1ccc(F)c(F)c1F ZINC000667478057 488021594 /nfs/dbraw/zinc/02/15/94/488021594.db2.gz YWHLZORPRUFRFC-UHFFFAOYSA-N 0 1 247.260 2.307 20 0 BEADMN Cc1ncsc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000084149566 488027156 /nfs/dbraw/zinc/02/71/56/488027156.db2.gz PYMQJICTBYAPCG-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN Cc1cccc2c1OCC[C@H]2NCc1cn[nH]c1 ZINC000682730688 488027421 /nfs/dbraw/zinc/02/74/21/488027421.db2.gz HSXXQJZBMQNDKR-CYBMUJFWSA-N 0 1 243.310 2.332 20 0 BEADMN CC(C)CN(C)Cc1cn(C2CCC2)nn1 ZINC000667496467 488028179 /nfs/dbraw/zinc/02/81/79/488028179.db2.gz VWLPOFUXUBWXPA-UHFFFAOYSA-N 0 1 222.336 2.091 20 0 BEADMN C[C@@H]1CC[C@H](CN2CC[C@@H](C)[C@@H](F)C2)O1 ZINC000682773079 488032571 /nfs/dbraw/zinc/03/25/71/488032571.db2.gz XVXCGVFMBVUJSG-KKOKHZNYSA-N 0 1 215.312 2.234 20 0 BEADMN CCCc1noc(CN[C@@H](CC)C2CC2)n1 ZINC000661757719 488036354 /nfs/dbraw/zinc/03/63/54/488036354.db2.gz LTRMHSQQCGAHCR-JTQLQIEISA-N 0 1 223.320 2.300 20 0 BEADMN COc1cccc(CNCCOC(C)C)c1F ZINC000165899767 488048135 /nfs/dbraw/zinc/04/81/35/488048135.db2.gz NJOLIGXLLOQCFY-UHFFFAOYSA-N 0 1 241.306 2.349 20 0 BEADMN Cc1nc2c(n1CCc1cnn(C)c1)CCCC2 ZINC000230086651 488049893 /nfs/dbraw/zinc/04/98/93/488049893.db2.gz XIIAJTSEAPZJSS-UHFFFAOYSA-N 0 1 244.342 2.047 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000365206980 488052062 /nfs/dbraw/zinc/05/20/62/488052062.db2.gz ZPWHVVQIOUCLHS-JSGCOSHPSA-N 0 1 249.358 2.121 20 0 BEADMN CCCN(CCC)CC(=O)Nc1cc(C)no1 ZINC000075634268 488063598 /nfs/dbraw/zinc/06/35/98/488063598.db2.gz HPTYCZIATKRDNO-UHFFFAOYSA-N 0 1 239.319 2.044 20 0 BEADMN CN(Cc1ccc(F)c(F)c1F)CC(C)(C)O ZINC000667639154 488064879 /nfs/dbraw/zinc/06/48/79/488064879.db2.gz LWNVOBPMKGTYAQ-UHFFFAOYSA-N 0 1 247.260 2.307 20 0 BEADMN Cc1ncccc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397016418 488072160 /nfs/dbraw/zinc/07/21/60/488072160.db2.gz KOAPWEWMVYXOLI-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1CN(Cc2cn(C3CCC3)nn2)C[C@H]1C ZINC000667650431 488072271 /nfs/dbraw/zinc/07/22/71/488072271.db2.gz XNSUPPGYCBUDFX-GHMZBOCLSA-N 0 1 234.347 2.091 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000257654033 488077282 /nfs/dbraw/zinc/07/72/82/488077282.db2.gz GXBDJSDPJFIZMQ-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CCN(CCCO)Cc1ccc(F)c(F)c1F ZINC000667668670 488082066 /nfs/dbraw/zinc/08/20/66/488082066.db2.gz VZQQRQHWUABOGQ-UHFFFAOYSA-N 0 1 247.260 2.308 20 0 BEADMN C[C@@H](C(=O)N1CCCC12CCCCC2)N(C)C ZINC000677641795 488085919 /nfs/dbraw/zinc/08/59/19/488085919.db2.gz TXKOPQMCYFWVEX-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN COC(C)(C)C[N@@H+](C)Cc1cc(C)ccn1 ZINC000683012698 488091695 /nfs/dbraw/zinc/09/16/95/488091695.db2.gz YGVWZWUWFOOVNI-UHFFFAOYSA-N 0 1 222.332 2.247 20 0 BEADMN CC(C)[C@H]1CCN(Cc2cn(C3CCC3)nn2)C1 ZINC000667696770 488092111 /nfs/dbraw/zinc/09/21/11/488092111.db2.gz GNGBIQHCWQVDRD-LBPRGKRZSA-N 0 1 248.374 2.481 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cn(C2CCC2)nn1 ZINC000667698840 488092249 /nfs/dbraw/zinc/09/22/49/488092249.db2.gz OMRZCVZWYDPVQW-GHMZBOCLSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000680346773 488098187 /nfs/dbraw/zinc/09/81/87/488098187.db2.gz RJRRVBLSLUIORI-KWQFWETISA-N 0 1 242.282 2.066 20 0 BEADMN C(c1nc2c(s1)CCC2)N1CC[C@H]2C[C@H]2C1 ZINC000668676840 488098873 /nfs/dbraw/zinc/09/88/73/488098873.db2.gz FJQYWZNAFNGQHU-UWVGGRQHSA-N 0 1 234.368 2.474 20 0 BEADMN CCC1(NCc2ncnn2C(C)C)CCC1 ZINC000229484687 488101498 /nfs/dbraw/zinc/10/14/98/488101498.db2.gz OBLSRMSVVSDEPV-UHFFFAOYSA-N 0 1 222.336 2.281 20 0 BEADMN COCC1(N(C)Cc2ccccc2F)CC1 ZINC000677725230 488102994 /nfs/dbraw/zinc/10/29/94/488102994.db2.gz DFPACDBDTYDCNQ-UHFFFAOYSA-N 0 1 223.291 2.437 20 0 BEADMN COCC1(N(C)Cc2cnccc2C)CC1 ZINC000677727118 488103856 /nfs/dbraw/zinc/10/38/56/488103856.db2.gz UVNDHELGWJOOTB-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CC1CCC(CN(C)Cc2cn(C)nn2)CC1 ZINC000677762012 488119134 /nfs/dbraw/zinc/11/91/34/488119134.db2.gz CPVXXXZXMVNEDG-UHFFFAOYSA-N 0 1 236.363 2.073 20 0 BEADMN C[C@@H](O)C1(NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000668696009 488124728 /nfs/dbraw/zinc/12/47/28/488124728.db2.gz KTIRADGWCLUXQS-FOGDFJRCSA-N 0 1 235.327 2.406 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccnc1)C1CCCCC1 ZINC000076633887 488127823 /nfs/dbraw/zinc/12/78/23/488127823.db2.gz SDPDNHDWSPGVME-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN CSc1cccc(CN(C)Cc2nnc[nH]2)c1 ZINC000659994539 488128410 /nfs/dbraw/zinc/12/84/10/488128410.db2.gz NKSUZAQOCCKTTP-UHFFFAOYSA-N 0 1 248.355 2.159 20 0 BEADMN NCc1ccc(C(=O)NCC2CCCCC2)o1 ZINC000094565097 487541739 /nfs/dbraw/zinc/54/17/39/487541739.db2.gz SCZVUOFWCLRMCH-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN O=C([O-])c1cccc(OCC[N@@H+]2CC=CCC2)c1 ZINC000382549328 487544914 /nfs/dbraw/zinc/54/49/14/487544914.db2.gz RUWVMQISOIBDPT-UHFFFAOYSA-N 0 1 247.294 2.026 20 0 BEADMN CC(C)c1ccc(CNC(=O)[C@H](C)N(C)C)cc1 ZINC000674285533 487544961 /nfs/dbraw/zinc/54/49/61/487544961.db2.gz GWMMOHSBLYNLKP-LBPRGKRZSA-N 0 1 248.370 2.376 20 0 BEADMN C[C@@H](C(=O)NCCCCc1ccccc1)N(C)C ZINC000674285539 487545663 /nfs/dbraw/zinc/54/56/63/487545663.db2.gz HJRJDUMLOPRGLU-ZDUSSCGKSA-N 0 1 248.370 2.076 20 0 BEADMN CCc1nnc(SCc2cccnc2C)[nH]1 ZINC000685566824 487548837 /nfs/dbraw/zinc/54/88/37/487548837.db2.gz XTZRDNJSZYPBLH-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1n[nH]c(SCc2cccnc2C)n1 ZINC000685566824 487548844 /nfs/dbraw/zinc/54/88/44/487548844.db2.gz XTZRDNJSZYPBLH-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN COc1cccc(CN2CC3(CC3)C2)c1 ZINC000334740971 487553137 /nfs/dbraw/zinc/55/31/37/487553137.db2.gz DRYDHUKUPRGJPR-UHFFFAOYSA-N 0 1 203.285 2.291 20 0 BEADMN CN(C)c1ccnc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000680257316 487553449 /nfs/dbraw/zinc/55/34/49/487553449.db2.gz QNEDRPPQYXFMDI-NSHDSACASA-N 0 1 245.326 2.442 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000680257990 487554719 /nfs/dbraw/zinc/55/47/19/487554719.db2.gz JCYVUFSOGGHODX-VXGBXAGGSA-N 0 1 245.326 2.132 20 0 BEADMN CC(C)[C@H](NC(=O)[C@@H](N)c1ccccc1)C1CC1 ZINC000324115841 487533290 /nfs/dbraw/zinc/53/32/90/487533290.db2.gz RQDZNISNVGKVBO-KBPBESRZSA-N 0 1 246.354 2.237 20 0 BEADMN CCC[C@@H](CN(C)CC(=O)NC)c1ccccc1 ZINC000668788355 487533405 /nfs/dbraw/zinc/53/34/05/487533405.db2.gz NIOZNADNIOHVAP-AWEZNQCLSA-N 0 1 248.370 2.248 20 0 BEADMN CNC(=O)CN(C)C[C@@H](c1ccccc1)C(C)C ZINC000668788551 487533430 /nfs/dbraw/zinc/53/34/30/487533430.db2.gz PFHZTTKLIWVNFH-CQSZACIVSA-N 0 1 248.370 2.104 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3ccoc3C(=O)[O-])C[C@@H]21 ZINC000380409713 487473574 /nfs/dbraw/zinc/47/35/74/487473574.db2.gz AAVMTFDAYMLWOU-AOOOYVTPSA-N 0 1 235.283 2.066 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)NCc1cnc[nH]1 ZINC000673934852 487483898 /nfs/dbraw/zinc/48/38/98/487483898.db2.gz JGOIPAPTSOEOMH-QWRGUYRKSA-N 0 1 235.331 2.242 20 0 BEADMN Cc1cc(CNC(=O)c2ccoc2C2CC2)n[nH]1 ZINC000684969590 487477781 /nfs/dbraw/zinc/47/77/81/487477781.db2.gz KMIZPRMOMWLJJE-UHFFFAOYSA-N 0 1 245.282 2.119 20 0 BEADMN C[C@@H](C1CC1)N(C(=O)c1ccc(CN)o1)C1CC1 ZINC000237508374 487479287 /nfs/dbraw/zinc/47/92/87/487479287.db2.gz QWZGDBQXXSWZKY-VIFPVBQESA-N 0 1 248.326 2.141 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000668226245 487485839 /nfs/dbraw/zinc/48/58/39/487485839.db2.gz HMBZXTBGOMIVJK-DGCLKSJQSA-N 0 1 248.326 2.209 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000037374529 488141911 /nfs/dbraw/zinc/14/19/11/488141911.db2.gz QTAZSFNUSQIJRR-SECBINFHSA-N 0 1 213.302 2.043 20 0 BEADMN Cc1cccc2[nH]c(CN3CC(CCO)C3)cc21 ZINC000668231977 487500169 /nfs/dbraw/zinc/50/01/69/487500169.db2.gz WAHWSPZEQPOLNZ-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccn(C)n1 ZINC000666120140 487504130 /nfs/dbraw/zinc/50/41/30/487504130.db2.gz JDVVJLAKHMDSAF-BDAKNGLRSA-N 0 1 229.274 2.259 20 0 BEADMN CC1(CO)CN(Cc2cc3ccncc3s2)C1 ZINC000668233567 487505441 /nfs/dbraw/zinc/50/54/41/487505441.db2.gz CKVZBZBACNIXBX-UHFFFAOYSA-N 0 1 248.351 2.111 20 0 BEADMN CCC1(NC(=O)CCc2cnc[nH]2)CCCC1 ZINC000295793432 487514597 /nfs/dbraw/zinc/51/45/97/487514597.db2.gz AQPAVOZFHUMBAA-UHFFFAOYSA-N 0 1 235.331 2.181 20 0 BEADMN C[C@H](C1CC1)[N@H+](C)Cc1ncccc1[O-] ZINC000685410829 487517523 /nfs/dbraw/zinc/51/75/23/487517523.db2.gz LDGYZOHLXUMVMV-SECBINFHSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1ncccc1[O-] ZINC000685410829 487517525 /nfs/dbraw/zinc/51/75/25/487517525.db2.gz LDGYZOHLXUMVMV-SECBINFHSA-N 0 1 206.289 2.018 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nc(C)oc2C)C1(C)C ZINC000660699981 487517707 /nfs/dbraw/zinc/51/77/07/487517707.db2.gz HUMOPIGUVKMMBT-VXGBXAGGSA-N 0 1 238.331 2.195 20 0 BEADMN CN(Cc1ccco1)CC1=CCSC1 ZINC000668774849 487520902 /nfs/dbraw/zinc/52/09/02/487520902.db2.gz BGRHFMHNDNWTIT-UHFFFAOYSA-N 0 1 209.314 2.385 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1 ZINC000070212052 487721787 /nfs/dbraw/zinc/72/17/87/487721787.db2.gz NFNCYVZXNICKPP-UHFFFAOYSA-N 0 1 237.209 2.249 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2cc[nH]c21)N(C)C ZINC000681365180 487785673 /nfs/dbraw/zinc/78/56/73/487785673.db2.gz BFWPBYFCEYUFQC-VIFPVBQESA-N 0 1 231.299 2.057 20 0 BEADMN Cc1ncc([C@@H](C)N(C)C2CC2)c(C)n1 ZINC000681673036 487837689 /nfs/dbraw/zinc/83/76/89/487837689.db2.gz OYTMFYQXXAYGAU-SECBINFHSA-N 0 1 205.305 2.249 20 0 BEADMN CN(CC(=O)N1CCC1)C(C)(C)c1ccccc1 ZINC000671246189 487890700 /nfs/dbraw/zinc/89/07/00/487890700.db2.gz CKLHOPHMDYKNAF-UHFFFAOYSA-N 0 1 246.354 2.086 20 0 BEADMN COc1cc(C)cc(CNCc2cn[nH]c2)c1 ZINC000676905592 487945101 /nfs/dbraw/zinc/94/51/01/487945101.db2.gz ZCRPAGZBSSYZNK-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)[C@@H](C)[C@H](C)O1 ZINC000682408242 487951707 /nfs/dbraw/zinc/95/17/07/487951707.db2.gz ZHJXDHYJGHUWNF-WOPDTQHZSA-N 0 1 235.327 2.390 20 0 BEADMN CC1(C)C[C@@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000123668163 488074606 /nfs/dbraw/zinc/07/46/06/488074606.db2.gz YKJWCOJJXAJOMY-SSDOTTSWSA-N 0 1 246.270 2.049 20 0 BEADMN Fc1cnccc1NCc1[nH]nc2ccccc21 ZINC000683070999 488105231 /nfs/dbraw/zinc/10/52/31/488105231.db2.gz QSEHNTHAESGCOU-UHFFFAOYSA-N 0 1 242.257 2.131 20 0 BEADMN CCn1cc(NCc2[nH]nc3ccccc32)cn1 ZINC000677751272 488118229 /nfs/dbraw/zinc/11/82/29/488118229.db2.gz VXOVPKBJBOQBKT-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403787254 488138354 /nfs/dbraw/zinc/13/83/54/488138354.db2.gz CTOBEGHMGOEMAH-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1nccc(N)n1 ZINC000662161354 488140004 /nfs/dbraw/zinc/14/00/04/488140004.db2.gz RIGWNVMIMCSETB-WDEREUQCSA-N 0 1 234.347 2.212 20 0 BEADMN C[C@H](O)C1(NCc2sccc2Cl)CC1 ZINC000668703110 488140169 /nfs/dbraw/zinc/14/01/69/488140169.db2.gz XNCIEICECZBPHV-ZETCQYMHSA-N 0 1 231.748 2.405 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1CCC1 ZINC000677862602 488142259 /nfs/dbraw/zinc/14/22/59/488142259.db2.gz YLUDDCNVRUEPMI-UHFFFAOYSA-N 0 1 235.331 2.371 20 0 BEADMN CCN(CC1CC1)[C@H](C)c1nc(C)no1 ZINC000677890534 488149586 /nfs/dbraw/zinc/14/95/86/488149586.db2.gz XDSGOOOFKYVNTE-MRVPVSSYSA-N 0 1 209.293 2.171 20 0 BEADMN CCN(CC)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000642632291 488150159 /nfs/dbraw/zinc/15/01/59/488150159.db2.gz LOJYIZOCAFFDBW-UHFFFAOYSA-N 0 1 233.271 2.152 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000390447942 488157920 /nfs/dbraw/zinc/15/79/20/488157920.db2.gz UGOQTFGKHTYYAM-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1C ZINC000380104454 488173132 /nfs/dbraw/zinc/17/31/32/488173132.db2.gz QKPBPPWXQCIZLV-SNVBAGLBSA-N 0 1 227.329 2.352 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000167600409 488180993 /nfs/dbraw/zinc/18/09/93/488180993.db2.gz JJWVYSDGDJARCW-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@H](CO)CN1CCc2[nH]c3ccccc3c2C1 ZINC000678046794 488183647 /nfs/dbraw/zinc/18/36/47/488183647.db2.gz RUUOYVOLAHHMGW-NSHDSACASA-N 0 1 244.338 2.154 20 0 BEADMN CC[C@](C)(CNCc1nccs1)OC ZINC000322587288 488192441 /nfs/dbraw/zinc/19/24/41/488192441.db2.gz FIKVNVWCGCFEPH-SNVBAGLBSA-N 0 1 214.334 2.048 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CCCSCC2)n1 ZINC000668050396 488194945 /nfs/dbraw/zinc/19/49/45/488194945.db2.gz PQJPZSHWBQLRIL-WCBMZHEXSA-N 0 1 241.360 2.314 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1sccc1OC ZINC000650807084 488197775 /nfs/dbraw/zinc/19/77/75/488197775.db2.gz OFPXKVNIOANJSC-QMMMGPOBSA-N 0 1 243.328 2.052 20 0 BEADMN CCCn1nccc1CN1CC(C(C)C)C1 ZINC000668091005 488201166 /nfs/dbraw/zinc/20/11/66/488201166.db2.gz XQOBSWAGQRBNTO-UHFFFAOYSA-N 0 1 221.348 2.381 20 0 BEADMN Cc1ccsc1CN(C)Cc1cn[nH]c1 ZINC000678125836 488201869 /nfs/dbraw/zinc/20/18/69/488201869.db2.gz SQVQVXJJTRISQI-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CCCn1nccc1CN1CCC=C(C)C1 ZINC000668100394 488202752 /nfs/dbraw/zinc/20/27/52/488202752.db2.gz LBYAHMKIMHQHNJ-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN COC[C@@H](C)Oc1ccc(CNCCF)cc1 ZINC000668099878 488203262 /nfs/dbraw/zinc/20/32/62/488203262.db2.gz XTVVCJXAWVNHSW-LLVKDONJSA-N 0 1 241.306 2.159 20 0 BEADMN CCNC(=O)CN(C)C[C@H](CC)c1ccccc1 ZINC000678193022 488215611 /nfs/dbraw/zinc/21/56/11/488215611.db2.gz RKMILHMHRNHJCS-ZDUSSCGKSA-N 0 1 248.370 2.248 20 0 BEADMN CCNC(=O)CN(C)Cc1cc(C)c(C)cc1C ZINC000678192454 488216040 /nfs/dbraw/zinc/21/60/40/488216040.db2.gz IQAXLWIMYBMHNE-UHFFFAOYSA-N 0 1 248.370 2.180 20 0 BEADMN CO[C@@H]1CCC[C@H](N[C@@H](C)c2csnn2)C1 ZINC000398382157 488216460 /nfs/dbraw/zinc/21/64/60/488216460.db2.gz TWSASYDRAHVDTA-LPEHRKFASA-N 0 1 241.360 2.146 20 0 BEADMN Cc1cnc(CNCCc2ccsc2)o1 ZINC000231650201 488219136 /nfs/dbraw/zinc/21/91/36/488219136.db2.gz MMFSUNFEJQBHAE-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC1CCC1 ZINC000398707617 488222677 /nfs/dbraw/zinc/22/26/77/488222677.db2.gz CGDAVGOJMNMLMT-AGIUHOORSA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCC1CCC1 ZINC000398781588 488224462 /nfs/dbraw/zinc/22/44/62/488224462.db2.gz MHQLQBVAGRBXGB-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN Cn1ccc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000678262005 488228618 /nfs/dbraw/zinc/22/86/18/488228618.db2.gz AZJQCMLYOCHLHX-LLVKDONJSA-N 0 1 231.299 2.003 20 0 BEADMN C[C@@H]1OCCN(Cc2[nH]nc3ccccc32)[C@H]1C ZINC000678267368 488231482 /nfs/dbraw/zinc/23/14/82/488231482.db2.gz PQBAHEAGJSFAIH-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN COc1ccsc1CN1CCCOC[C@H]1C ZINC000678275600 488234669 /nfs/dbraw/zinc/23/46/69/488234669.db2.gz ZSVOLFPXYJFBRS-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN Cc1ccc(CN2CCc3cn[nH]c3C2)cc1F ZINC000678276088 488235223 /nfs/dbraw/zinc/23/52/23/488235223.db2.gz VOOBJPCREKAUQI-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN Cn1cccc1[C@H]1CCCCN1Cc1cn[nH]c1 ZINC000678295193 488237898 /nfs/dbraw/zinc/23/78/98/488237898.db2.gz MKZBAPVLGBKSNN-CQSZACIVSA-N 0 1 244.342 2.475 20 0 BEADMN C[C@H](N(C)Cc1cn(C)cn1)C1(C)CC1 ZINC000683899160 488241201 /nfs/dbraw/zinc/24/12/01/488241201.db2.gz VFFTZKUTENDBQW-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN Cc1ccccc1OC[C@H](O)CN1CC(C)(C)C1 ZINC000683924041 488245316 /nfs/dbraw/zinc/24/53/16/488245316.db2.gz OBKDAIRGDRWHBH-CYBMUJFWSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1ccc(OC[C@@H](O)CN2CC(C)(C)C2)cc1 ZINC000683924974 488245823 /nfs/dbraw/zinc/24/58/23/488245823.db2.gz ZWKIJMWXODNGGN-ZDUSSCGKSA-N 0 1 249.354 2.077 20 0 BEADMN CCN(C[C@@H]1CCOC1)[C@H](C)c1ncc(C)o1 ZINC000678460393 488257192 /nfs/dbraw/zinc/25/71/92/488257192.db2.gz IOCYAYSSMULBEA-NEPJUHHUSA-N 0 1 238.331 2.402 20 0 BEADMN CCN1CCN([C@H](C)c2ncc(C)o2)C[C@H]1C ZINC000678465317 488257482 /nfs/dbraw/zinc/25/74/82/488257482.db2.gz ZGLWIASBHOUTEE-ZYHUDNBSSA-N 0 1 237.347 2.070 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC(C)(C)C2)c1 ZINC000684083481 488262703 /nfs/dbraw/zinc/26/27/03/488262703.db2.gz SJMUHYNDDCHOGM-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN Fc1cnccc1N1CCN(C2CCCC2)CC1 ZINC000678788891 488283193 /nfs/dbraw/zinc/28/31/93/488283193.db2.gz PQXUPQPGFIPKKI-UHFFFAOYSA-N 0 1 249.333 2.285 20 0 BEADMN CN(CCc1nccs1)CC1(F)CC1 ZINC000684363213 488301358 /nfs/dbraw/zinc/30/13/58/488301358.db2.gz ONNGAHACXDGDKN-UHFFFAOYSA-N 0 1 214.309 2.120 20 0 BEADMN Cc1nnc([C@@H](C)NC[C@H]2CCC(F)(F)C2)o1 ZINC000684654459 488336814 /nfs/dbraw/zinc/33/68/14/488336814.db2.gz KDDMYAKMCBMPGP-APPZFPTMSA-N 0 1 245.273 2.464 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)C[C@H](C2CC2)O1 ZINC000684412233 488308824 /nfs/dbraw/zinc/30/88/24/488308824.db2.gz TWRRJALEWIPXSS-IAQYHMDHSA-N 0 1 247.338 2.392 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cn[nH]c1 ZINC000684412727 488308854 /nfs/dbraw/zinc/30/88/54/488308854.db2.gz ZVNHKSHWJDWIDM-APPZFPTMSA-N 0 1 233.237 2.182 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000679169653 488314341 /nfs/dbraw/zinc/31/43/41/488314341.db2.gz VCANWGFLFHBBSC-XCBNKYQSSA-N 0 1 233.267 2.189 20 0 BEADMN [O-]c1cccc2c(N3CCCOCC3)cc[nH+]c12 ZINC000684571842 488328307 /nfs/dbraw/zinc/32/83/07/488328307.db2.gz QDUGIGFMNHGHIP-UHFFFAOYSA-N 0 1 244.294 2.167 20 0 BEADMN C[C@H]1CCN(Cc2ccc(CO)cc2)C[C@H]1F ZINC000679321145 488333913 /nfs/dbraw/zinc/33/39/13/488333913.db2.gz FXKXPJVHLCTRBL-SMDDNHRTSA-N 0 1 237.318 2.359 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1ccc(C)nc1 ZINC000679334209 488341329 /nfs/dbraw/zinc/34/13/29/488341329.db2.gz KYYRCLSYCKJJPN-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN COc1cc(CN2CC=CCC2)cc(OC)c1 ZINC000679358603 488345423 /nfs/dbraw/zinc/34/54/23/488345423.db2.gz JEJLXNZIZORHPG-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN C[C@H]1CCN(CC2=CCCOC2)C[C@H]1F ZINC000679359677 488346033 /nfs/dbraw/zinc/34/60/33/488346033.db2.gz MKEYNUPKMAYKAR-CMPLNLGQSA-N 0 1 213.296 2.013 20 0 BEADMN Cc1nn(C)c(C)c1N[C@@H](C)c1cn[nH]c1C ZINC000679364923 488347096 /nfs/dbraw/zinc/34/70/96/488347096.db2.gz SQILGBIDJFSRRK-ZETCQYMHSA-N 0 1 233.319 2.242 20 0 BEADMN Cc1nn(C)c(C)c1N[C@H](C)c1cn[nH]c1C ZINC000679364922 488347179 /nfs/dbraw/zinc/34/71/79/488347179.db2.gz SQILGBIDJFSRRK-SSDOTTSWSA-N 0 1 233.319 2.242 20 0 BEADMN CC(C)(C(=O)NCCC1CCCC1)c1cnc[nH]1 ZINC000684830435 488347329 /nfs/dbraw/zinc/34/73/29/488347329.db2.gz HNHABTRACDLCFT-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN Cc1cc(CNCc2cn(C(C)C)nc2C)[nH]n1 ZINC000684927409 488353410 /nfs/dbraw/zinc/35/34/10/488353410.db2.gz INUJMLYWFIEGFV-UHFFFAOYSA-N 0 1 247.346 2.094 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000679557543 488358062 /nfs/dbraw/zinc/35/80/62/488358062.db2.gz QSHLTCRWZHIHSQ-WCBMZHEXSA-N 0 1 223.320 2.017 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC000679798077 488366143 /nfs/dbraw/zinc/36/61/43/488366143.db2.gz GDOAIKNKBLKUQD-SNVBAGLBSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@@H]1SCC[C@H]1NCc1nccs1 ZINC000220609334 490054543 /nfs/dbraw/zinc/05/45/43/490054543.db2.gz FEQZBMUVXUWHBZ-JGVFFNPUSA-N 0 1 214.359 2.127 20 0 BEADMN CCCCN1CCN(C(=O)C(CC)CC)CC1 ZINC000240783147 490106415 /nfs/dbraw/zinc/10/64/15/490106415.db2.gz AWUVDYMXFAHZRS-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCC(C)(C)[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000122174926 490126785 /nfs/dbraw/zinc/12/67/85/490126785.db2.gz NTRYPPZQELTZJU-LBPRGKRZSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)OCCN[C@H](C)c1cn2ccccc2n1 ZINC000671120736 490149932 /nfs/dbraw/zinc/14/99/32/490149932.db2.gz NWQQCVIYSCNAMU-GFCCVEGCSA-N 0 1 247.342 2.410 20 0 BEADMN Cc1ccc(N2N=C3CCCCC[C@H]3C2=O)nn1 ZINC000109522635 490163360 /nfs/dbraw/zinc/16/33/60/490163360.db2.gz IQVWCMMOLPZTQW-SNVBAGLBSA-N 0 1 244.298 2.068 20 0 BEADMN C[C@@H](C(=O)N1CC[C@H](C)c2ccccc21)N(C)C ZINC000078690064 490216864 /nfs/dbraw/zinc/21/68/64/490216864.db2.gz AZYJZSKMRBBTFA-RYUDHWBXSA-N 0 1 246.354 2.477 20 0 BEADMN C[C@@H](C(=O)NCC[C@@H]1CCC[C@H](C)C1)N(C)C ZINC000078744482 490224879 /nfs/dbraw/zinc/22/48/79/490224879.db2.gz IYDDSFQZIFHSOK-AVGNSLFASA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000228887048 490306241 /nfs/dbraw/zinc/30/62/41/490306241.db2.gz HRLLDEKEINHTHC-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1cc(C2CCN(CC(F)F)CC2)[nH]n1 ZINC000679860278 490347536 /nfs/dbraw/zinc/34/75/36/490347536.db2.gz ADLWLYIUUAZBOO-UHFFFAOYSA-N 0 1 229.274 2.163 20 0 BEADMN CN(Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000507112709 490443855 /nfs/dbraw/zinc/44/38/55/490443855.db2.gz WSJNGLGGQROYIR-UHFFFAOYSA-N 0 1 233.237 2.040 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)CC2CCCC2)n1 ZINC000119289339 490451143 /nfs/dbraw/zinc/45/11/43/490451143.db2.gz OYCPHKDUYYOGHW-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)CC2CCCC2)n1 ZINC000119289339 490451147 /nfs/dbraw/zinc/45/11/47/490451147.db2.gz OYCPHKDUYYOGHW-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1nc2c(n1[C@H](C)[C@@H](C)O)CCCC2 ZINC000127363371 490546822 /nfs/dbraw/zinc/54/68/22/490546822.db2.gz CAGNBVHWCLIJRV-RKDXNWHRSA-N 0 1 208.305 2.012 20 0 BEADMN c1cc(CN[C@@H]2CCc3ccccc3C2)no1 ZINC000129025741 490596970 /nfs/dbraw/zinc/59/69/70/490596970.db2.gz DMPVLTHRSFZFOD-CYBMUJFWSA-N 0 1 228.295 2.322 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000305817608 490620632 /nfs/dbraw/zinc/62/06/32/490620632.db2.gz KGQBZXHIBOYTCB-MWLCHTKSSA-N 0 1 239.363 2.166 20 0 BEADMN COCCNCc1cccc(F)c1OC(F)F ZINC000159389686 491078353 /nfs/dbraw/zinc/07/83/53/491078353.db2.gz SUSQCRTTYQZCNI-UHFFFAOYSA-N 0 1 249.232 2.163 20 0 BEADMN CC(C)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048313476 491081646 /nfs/dbraw/zinc/08/16/46/491081646.db2.gz JJEFVPWCUKQXEB-UHFFFAOYSA-N 0 1 235.262 2.088 20 0 BEADMN Cc1ccc(C[N@@H+](CC2(C(=O)[O-])CC2)C2CC2)o1 ZINC000652387776 491083762 /nfs/dbraw/zinc/08/37/62/491083762.db2.gz UJMDPRILSDNADQ-UHFFFAOYSA-N 0 1 249.310 2.417 20 0 BEADMN C[C@H]1CC[C@@]2(CC[N@@H+](CC3(C(=O)[O-])CC3)C2)C1 ZINC000652442978 491085197 /nfs/dbraw/zinc/08/51/97/491085197.db2.gz DZNWFINJTFSUJT-WCQYABFASA-N 0 1 237.343 2.363 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC(C2CC2)C1 ZINC000643292014 491094694 /nfs/dbraw/zinc/09/46/94/491094694.db2.gz UFQFWOWTSSWFIS-UHFFFAOYSA-N 0 1 247.342 2.324 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)Nc1cc(C)ccn1 ZINC000088504465 491103221 /nfs/dbraw/zinc/10/32/21/491103221.db2.gz YQWOCGXTJOJFGL-LLVKDONJSA-N 0 1 249.358 2.306 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000138400049 491121520 /nfs/dbraw/zinc/12/15/20/491121520.db2.gz ZFWTWMWQWGTAOS-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)n1cncc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000644904224 491124685 /nfs/dbraw/zinc/12/46/85/491124685.db2.gz UYQSUPBNBGCUQK-OCCSQVGLSA-N 0 1 249.358 2.075 20 0 BEADMN CC[C@H]1C(=O)NCCN1C[C@@H](C)c1ccccc1 ZINC000076416719 491125347 /nfs/dbraw/zinc/12/53/47/491125347.db2.gz ODMMLSXGHWMTSZ-OCCSQVGLSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000668591670 491128297 /nfs/dbraw/zinc/12/82/97/491128297.db2.gz FRTAYAXFAMIGCV-LLVKDONJSA-N 0 1 225.311 2.290 20 0 BEADMN Cc1c[nH]nc1CN1CCC[C@H](CCF)C1 ZINC000668591670 491128298 /nfs/dbraw/zinc/12/82/98/491128298.db2.gz FRTAYAXFAMIGCV-LLVKDONJSA-N 0 1 225.311 2.290 20 0 BEADMN CC(C)C1CCN(Cc2cncnc2)CC1 ZINC000131118464 491133393 /nfs/dbraw/zinc/13/33/93/491133393.db2.gz SBODZKCLLULZPE-UHFFFAOYSA-N 0 1 219.332 2.345 20 0 BEADMN Cc1ccc2[nH]c(CNC3CSC3)nc2c1 ZINC000309620391 491152620 /nfs/dbraw/zinc/15/26/20/491152620.db2.gz DBWFPAXTTLQSET-UHFFFAOYSA-N 0 1 233.340 2.076 20 0 BEADMN Cc1ccc2nc(CNC3CSC3)[nH]c2c1 ZINC000309620391 491152622 /nfs/dbraw/zinc/15/26/22/491152622.db2.gz DBWFPAXTTLQSET-UHFFFAOYSA-N 0 1 233.340 2.076 20 0 BEADMN CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[O-] ZINC000309716166 491154874 /nfs/dbraw/zinc/15/48/74/491154874.db2.gz YXNGXHWFZFVIMS-LBPRGKRZSA-N 0 1 219.284 2.080 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC/C=C\Cl ZINC000891206447 582632034 /nfs/dbraw/zinc/63/20/34/582632034.db2.gz XIYLUCIUQSLHCV-PLNGDYQASA-N 0 1 241.722 2.324 20 0 BEADMN CCC[C@@](C)(CO)NCc1csc(CC)n1 ZINC000164369174 535521077 /nfs/dbraw/zinc/52/10/77/535521077.db2.gz QFQRQODCZBTHHT-LBPRGKRZSA-N 0 1 242.388 2.346 20 0 BEADMN CCO[C@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000891402192 582678115 /nfs/dbraw/zinc/67/81/15/582678115.db2.gz OPAMOHNBCJIUPV-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CCO[C@H]1CCCN(Cc2ccc(OC)o2)C1 ZINC000891402192 582678118 /nfs/dbraw/zinc/67/81/18/582678118.db2.gz OPAMOHNBCJIUPV-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)/C=C/C(C)(C)C)CCN1C ZINC000492366759 534234498 /nfs/dbraw/zinc/23/44/98/534234498.db2.gz VLVMZCYBEXNHPT-IDDPWSFUSA-N 0 1 238.375 2.140 20 0 BEADMN C[C@@H](N(C)CN1CC(C)(C)OC1=O)C1(C)CC1 ZINC000494059513 534285628 /nfs/dbraw/zinc/28/56/28/534285628.db2.gz TZBQGSCXMVGMRD-SNVBAGLBSA-N 0 1 240.347 2.295 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NCC(F)(F)CO ZINC000184703719 517781372 /nfs/dbraw/zinc/78/13/72/517781372.db2.gz JMTTXFLGXRFOKH-ZJUUUORDSA-N 0 1 221.291 2.172 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892103155 582792003 /nfs/dbraw/zinc/79/20/03/582792003.db2.gz IYPQJQDELZSSGX-GHMZBOCLSA-N 0 1 219.332 2.448 20 0 BEADMN Cc1cn[nH]c1CNCc1ccc(Cl)o1 ZINC000393607716 582818799 /nfs/dbraw/zinc/81/87/99/582818799.db2.gz JGVJGQBAHXITBZ-UHFFFAOYSA-N 0 1 225.679 2.254 20 0 BEADMN CC(C)(C)C(=O)c1nc(C2(N)CCCC2)no1 ZINC000261791477 534527284 /nfs/dbraw/zinc/52/72/84/534527284.db2.gz OOABNQJQKLWRFB-UHFFFAOYSA-N 0 1 237.303 2.026 20 0 BEADMN c1nc(CNCCC[C@H]2CCOC2)cs1 ZINC000401946870 534529805 /nfs/dbraw/zinc/52/98/05/534529805.db2.gz WUEPXLXVYQLYTL-JTQLQIEISA-N 0 1 226.345 2.049 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@H](C)[C@@H](O)C2)c1 ZINC000336198703 534888860 /nfs/dbraw/zinc/88/88/60/534888860.db2.gz OKYGFTWNGJQVMP-NHYWBVRUSA-N 0 1 247.338 2.092 20 0 BEADMN C/C=C/C=C\C(=O)N1CCN([C@H](C)CC)CC1 ZINC000493718980 527596085 /nfs/dbraw/zinc/59/60/85/527596085.db2.gz GXMKNPOQUHNOLF-LTXJWVIVSA-N 0 1 236.359 2.061 20 0 BEADMN CC(C)n1ccnc1CN[C@]1(C)CCO[C@H]1C ZINC000494203705 528608334 /nfs/dbraw/zinc/60/83/34/528608334.db2.gz FEVLRCHTWWATCU-WCQYABFASA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000495112681 529206054 /nfs/dbraw/zinc/20/60/54/529206054.db2.gz SFMWAUCLGBRYPY-DMDPSCGWSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000479430841 529254281 /nfs/dbraw/zinc/25/42/81/529254281.db2.gz VIKUPXXCZWPRLA-HAQNSBGRSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000479502120 529256475 /nfs/dbraw/zinc/25/64/75/529256475.db2.gz KERUNQUTQGWMLR-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1CCC[C@H](NCC(F)(F)CN)C1 ZINC000414928130 529315643 /nfs/dbraw/zinc/31/56/43/529315643.db2.gz LWNJRKUAFQMRIK-ZJUUUORDSA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)(C)OC1CC(N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000336083793 534964591 /nfs/dbraw/zinc/96/45/91/534964591.db2.gz TZLLOEYJMDDQQK-UNTZMWQOSA-N 0 1 239.359 2.196 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1CCC1(C)C ZINC000342588237 534975220 /nfs/dbraw/zinc/97/52/20/534975220.db2.gz CJKAXKUTSPBHKN-SNVBAGLBSA-N 0 1 236.363 2.311 20 0 BEADMN CCCCCN(CCCOC)Cc1cc[nH]n1 ZINC000180876590 535030282 /nfs/dbraw/zinc/03/02/82/535030282.db2.gz OWJGQVHSWLZUKC-UHFFFAOYSA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1cc(C(=O)N(C)[C@@H]2CC2(C)C)n[nH]1 ZINC000335332746 535343910 /nfs/dbraw/zinc/34/39/10/535343910.db2.gz IBSFOPZPWKUQBB-LLVKDONJSA-N 0 1 235.331 2.404 20 0 BEADMN CC(C)c1cc(C(=O)N(C)[C@H]2CC2(C)C)n[nH]1 ZINC000335332747 535345126 /nfs/dbraw/zinc/34/51/26/535345126.db2.gz IBSFOPZPWKUQBB-NSHDSACASA-N 0 1 235.331 2.404 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(F)cc2C1 ZINC000263571858 535438457 /nfs/dbraw/zinc/43/84/57/535438457.db2.gz JZSZZUNSIXNHEH-LBPRGKRZSA-N 0 1 237.274 2.047 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC1(C)C ZINC000352291415 535497781 /nfs/dbraw/zinc/49/77/81/535497781.db2.gz XWYXNDOLMUVQEM-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)NC(=O)CN1CCCC(C)(C)C1 ZINC000171833788 535579258 /nfs/dbraw/zinc/57/92/58/535579258.db2.gz YUHGSUTXAYWZSB-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCc1nnc([C@@H](C)N2CCC[C@H]2C)o1 ZINC000336040607 535856975 /nfs/dbraw/zinc/85/69/75/535856975.db2.gz LRAUCTKFCYLRTF-RKDXNWHRSA-N 0 1 209.293 2.177 20 0 BEADMN CCn1nccc1CN1CC(C)=C[C@H](C)C1 ZINC000336128324 535867137 /nfs/dbraw/zinc/86/71/37/535867137.db2.gz UVEGEWYUTPKENZ-NSHDSACASA-N 0 1 219.332 2.301 20 0 BEADMN CC[C@H](C)[C@@H](O)CNCc1ncc(Cl)s1 ZINC000309209091 535895741 /nfs/dbraw/zinc/89/57/41/535895741.db2.gz SLPSGBDMSPNBLH-YUMQZZPRSA-N 0 1 248.779 2.293 20 0 BEADMN CC[C@H]1CC[C@H]1NCc1ncnn1C(C)(C)C ZINC000348330140 536101272 /nfs/dbraw/zinc/10/12/72/536101272.db2.gz HMTCFIXDQYPKML-WDEREUQCSA-N 0 1 236.363 2.311 20 0 BEADMN CCc1nnc(NC(=O)CC2CC(C)(C)C2)[nH]1 ZINC000342993364 536145749 /nfs/dbraw/zinc/14/57/49/536145749.db2.gz KNGHDABFHODLHB-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC2CC(C)(C)C2)n1 ZINC000342993364 536145752 /nfs/dbraw/zinc/14/57/52/536145752.db2.gz KNGHDABFHODLHB-UHFFFAOYSA-N 0 1 236.319 2.132 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1C ZINC000263416790 536752048 /nfs/dbraw/zinc/75/20/48/536752048.db2.gz NNNLTZLNOBTWKX-GFCCVEGCSA-N 0 1 249.310 2.053 20 0 BEADMN c1ncc(CN2CCS[C@@H]3CCCC[C@H]32)cn1 ZINC000245765133 537960702 /nfs/dbraw/zinc/96/07/02/537960702.db2.gz QOXGOFCNUFCHOP-CHWSQXEVSA-N 0 1 249.383 2.337 20 0 BEADMN Cc1ccc(F)c(CN2CCCOCC2)c1 ZINC000334232415 538060598 /nfs/dbraw/zinc/06/05/98/538060598.db2.gz MXDHWYIRLGDANZ-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(F)ccc1F ZINC000309977369 566268395 /nfs/dbraw/zinc/26/83/95/566268395.db2.gz UHBMRMCEVQRIOO-VXGBXAGGSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@@H](OC(=O)C(C)(C)C1CCC1)c1nnc[nH]1 ZINC000853226533 583030632 /nfs/dbraw/zinc/03/06/32/583030632.db2.gz YGGIOSZLTVMMGO-MRVPVSSYSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1ncoc1CN1CCS[C@H](C)[C@H]1C ZINC000894034287 583278896 /nfs/dbraw/zinc/27/88/96/583278896.db2.gz OWBKAOIPUPJKPT-NXEZZACHSA-N 0 1 226.345 2.309 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1ccccc1CC(=O)[O-] ZINC000853085025 588719140 /nfs/dbraw/zinc/71/91/40/588719140.db2.gz RNNQTDNFBUWCEV-UHFFFAOYSA-N 0 1 245.322 2.298 20 0 BEADMN Cc1ccccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853212418 588725344 /nfs/dbraw/zinc/72/53/44/588725344.db2.gz CTHWFMHSLNJGQY-VIFPVBQESA-N 0 1 231.255 2.031 20 0 BEADMN CC[C@H](C)CN(C)CN1CCSC1=S ZINC000111165815 588725468 /nfs/dbraw/zinc/72/54/68/588725468.db2.gz KXFVENFOKATRGW-VIFPVBQESA-N 0 1 232.418 2.256 20 0 BEADMN C[C@@H](OC(=O)/C=C1/CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219254 588725863 /nfs/dbraw/zinc/72/58/63/588725863.db2.gz DRNDBRYUCGKWFN-MNTZLAJPSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)C[C@H](C)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853219984 588726160 /nfs/dbraw/zinc/72/61/60/588726160.db2.gz UPCSHCYYPPZYLH-UWVGGRQHSA-N 0 1 239.319 2.481 20 0 BEADMN CCC(C)(C)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853221593 588726168 /nfs/dbraw/zinc/72/61/68/588726168.db2.gz WLNKUUUZBBPTJI-QMMMGPOBSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)c1nnc[nH]1 ZINC000853221117 588726261 /nfs/dbraw/zinc/72/62/61/588726261.db2.gz UGYCTJOXBYULTM-OPRDCNLKSA-N 0 1 237.303 2.235 20 0 BEADMN CCc1oc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1C ZINC000853221164 588726285 /nfs/dbraw/zinc/72/62/85/588726285.db2.gz QYWRYTYBSBUKTK-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222642 588726522 /nfs/dbraw/zinc/72/65/22/588726522.db2.gz PVQSPKWZUXPLLR-CIUDSAMLSA-N 0 1 225.292 2.091 20 0 BEADMN C[C@@H](OC(=O)[C@@]1(C)CC=CCC1)c1nnc[nH]1 ZINC000853224293 588726763 /nfs/dbraw/zinc/72/67/63/588726763.db2.gz FBWJYESCJVWLSD-SKDRFNHKSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@@H](OC(=O)[C@]1(C)CC=CCC1)c1nnc[nH]1 ZINC000853224290 588726931 /nfs/dbraw/zinc/72/69/31/588726931.db2.gz FBWJYESCJVWLSD-BXKDBHETSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@H](OC(=O)C(C)(C)C(C)(F)F)c1nnc[nH]1 ZINC000853224716 588726993 /nfs/dbraw/zinc/72/69/93/588726993.db2.gz HMWJMUOMTLQSCT-LURJTMIESA-N 0 1 247.245 2.090 20 0 BEADMN C[C@@H](OC(=O)[C@@H](C)c1ccccc1)c1nnc[nH]1 ZINC000853223957 588727040 /nfs/dbraw/zinc/72/70/40/588727040.db2.gz BPZLWHPWMUURHQ-VHSXEESVSA-N 0 1 245.282 2.213 20 0 BEADMN Cc1csc(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853225726 588727332 /nfs/dbraw/zinc/72/73/32/588727332.db2.gz RNAFRRCZVBHXEF-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225295 588727470 /nfs/dbraw/zinc/72/74/70/588727470.db2.gz NBQFWVVXEHMFKX-BNICOGTQSA-N 0 1 237.303 2.401 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CCCC2(CC2)C1)c1nnc[nH]1 ZINC000853227086 588727542 /nfs/dbraw/zinc/72/75/42/588727542.db2.gz LGYCKGVRBMNEDL-NXEZZACHSA-N 0 1 249.314 2.379 20 0 BEADMN C[C@H](OC(=O)C1(C)CCCCC1)c1nnc[nH]1 ZINC000853226335 588727562 /nfs/dbraw/zinc/72/75/62/588727562.db2.gz VMUIUQVZKROPDM-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)[C@H](F)c1ccccc1)c1nnc[nH]1 ZINC000853226588 588727619 /nfs/dbraw/zinc/72/76/19/588727619.db2.gz YMVVHPPRIRLOOB-WCBMZHEXSA-N 0 1 249.245 2.120 20 0 BEADMN CC(=Cc1ccco1)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853227420 588727775 /nfs/dbraw/zinc/72/77/75/588727775.db2.gz PWSAKSLKDKQHSA-JGAIRUGNSA-N 0 1 247.254 2.105 20 0 BEADMN C[C@@H](OC(=O)c1ccc(CF)cc1)c1nnc[nH]1 ZINC000853227341 588727796 /nfs/dbraw/zinc/72/77/96/588727796.db2.gz OAWLGZQCKDTUGH-MRVPVSSYSA-N 0 1 249.245 2.192 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853226326 588727843 /nfs/dbraw/zinc/72/78/43/588727843.db2.gz WOSCEDIOZQVWTB-OPRDCNLKSA-N 0 1 237.303 2.091 20 0 BEADMN CCc1cc(CNc2cc(C(C)=O)ccn2)n[nH]1 ZINC000853322998 588732713 /nfs/dbraw/zinc/73/27/13/588732713.db2.gz LDDBQSCLJFVCQY-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CC(C)[C@@H]1CCN(CN2CCC[C@@H](C)C2)C1=O ZINC000853486671 588745666 /nfs/dbraw/zinc/74/56/66/588745666.db2.gz AWSVTXXKZQAXNM-OLZOCXBDSA-N 0 1 238.375 2.180 20 0 BEADMN CN(C[C@@H]1CC1(C)C)Cn1cc[nH]c1=S ZINC000853627851 588750666 /nfs/dbraw/zinc/75/06/66/588750666.db2.gz HURMAUJKTUYNON-VIFPVBQESA-N 0 1 225.361 2.107 20 0 BEADMN CCC(N)=NOC[C@@H](OC)C1CCCCC1 ZINC000853656479 588752760 /nfs/dbraw/zinc/75/27/60/588752760.db2.gz PJUKDGNVEBIJFY-LLVKDONJSA-N 0 1 228.336 2.490 20 0 BEADMN Cc1ccc(-c2noc(CNC(C)C)n2)o1 ZINC000854149718 588777224 /nfs/dbraw/zinc/77/72/24/588777224.db2.gz ODENXUDVEGNFNA-UHFFFAOYSA-N 0 1 221.260 2.136 20 0 BEADMN CCN(CC1CC1)Cn1cc(Cl)cn1 ZINC000112200001 588785338 /nfs/dbraw/zinc/78/53/38/588785338.db2.gz YJFYGQAVJFHRKR-UHFFFAOYSA-N 0 1 213.712 2.226 20 0 BEADMN CC(=O)CCC(C)(C)C(=O)NOc1ccccc1 ZINC000854536993 588791666 /nfs/dbraw/zinc/79/16/66/588791666.db2.gz LYZGBKICHBSTFW-UHFFFAOYSA-N 0 1 249.310 2.492 20 0 BEADMN CCC(F)(F)C(=O)NC1(C(F)(F)F)CC1 ZINC000854784236 588809143 /nfs/dbraw/zinc/80/91/43/588809143.db2.gz NCHSZXWVGDCYAP-UHFFFAOYSA-N 0 1 231.164 2.243 20 0 BEADMN CCC(F)(F)C(=O)NC(C)(C)C(F)(F)F ZINC000854907328 588816372 /nfs/dbraw/zinc/81/63/72/588816372.db2.gz SICJCFJMDYWFQJ-UHFFFAOYSA-N 0 1 233.180 2.489 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)C(C)(F)F ZINC000855134795 588822572 /nfs/dbraw/zinc/82/25/72/588822572.db2.gz AELIKZLGQPBYEH-UHFFFAOYSA-N 0 1 245.273 2.050 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135201 588822812 /nfs/dbraw/zinc/82/28/12/588822812.db2.gz ICYYYKICVOUJHR-GFCCVEGCSA-N 0 1 241.310 2.287 20 0 BEADMN CC/C=C(/C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855167183 588824700 /nfs/dbraw/zinc/82/47/00/588824700.db2.gz XELLSFQWJUAZPU-RDQDRAATSA-N 0 1 238.375 2.332 20 0 BEADMN O=C1CCCN1CN1CC[C@@H](c2ccccc2)C1 ZINC000113243052 588828063 /nfs/dbraw/zinc/82/80/63/588828063.db2.gz FXSIRUMGDBEFNT-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890765567 582542353 /nfs/dbraw/zinc/54/23/53/582542353.db2.gz KQJNBLMRWYELBD-NQBHXWOUSA-N 0 1 247.342 2.059 20 0 BEADMN CCC/C(C)=C\C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000804815181 582564129 /nfs/dbraw/zinc/56/41/29/582564129.db2.gz PDULSNPFEBCLBI-UFGYOYAJSA-N 0 1 236.319 2.037 20 0 BEADMN CC[C@@H]1CCCCN1c1nc(C)cc(N)n1 ZINC000891393218 582676679 /nfs/dbraw/zinc/67/66/79/582676679.db2.gz DATQUEOTHSYPEL-SNVBAGLBSA-N 0 1 220.320 2.136 20 0 BEADMN C[C@H]1CN(Cc2cnn(C3CCC3)c2)CCCO1 ZINC000891915624 582737729 /nfs/dbraw/zinc/73/77/29/582737729.db2.gz JCLBRIFIBBWREN-LBPRGKRZSA-N 0 1 249.358 2.219 20 0 BEADMN CN(Cc1cc(O)cc(Cl)c1)[C@@H]1CCOC1 ZINC000891935085 582741073 /nfs/dbraw/zinc/74/10/73/582741073.db2.gz NMMBAQBRVORGAF-LLVKDONJSA-N 0 1 241.718 2.266 20 0 BEADMN CC(=O)N1CCN(CCCCC(C)C)[C@@H](C)C1 ZINC000892066194 582783144 /nfs/dbraw/zinc/78/31/44/582783144.db2.gz BGVHBOASZJEABR-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1COCCCN1Cc1cnn(C2CCC2)c1 ZINC000892077234 582786162 /nfs/dbraw/zinc/78/61/62/582786162.db2.gz PAKLAMLKMFHDBR-LBPRGKRZSA-N 0 1 249.358 2.219 20 0 BEADMN Cn1nc(CN[C@H]2C=CCC2)c2ccccc21 ZINC000829347663 582856375 /nfs/dbraw/zinc/85/63/75/582856375.db2.gz MSMSPHCXJQGEHL-NSHDSACASA-N 0 1 227.311 2.382 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C(C)=C2CCC2)n[nH]1 ZINC000849799914 582866784 /nfs/dbraw/zinc/86/67/84/582866784.db2.gz SXAAUURFIHTDGV-VIFPVBQESA-N 0 1 249.314 2.472 20 0 BEADMN C[C@H](CO)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000678044413 582958659 /nfs/dbraw/zinc/95/86/59/582958659.db2.gz PLKCXROXAIBLPY-GZBFAFLISA-N 0 1 249.354 2.077 20 0 BEADMN CC(=O)OC[C@H](C)NCc1ccc(F)cc1F ZINC000892745150 582973953 /nfs/dbraw/zinc/97/39/53/582973953.db2.gz LCUSYILQQBBBNA-QMMMGPOBSA-N 0 1 243.253 2.006 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)OC3CCC3)c2C1 ZINC000892767948 582979153 /nfs/dbraw/zinc/97/91/53/582979153.db2.gz GERZAQUKSFBVFB-QMMMGPOBSA-N 0 1 234.299 2.244 20 0 BEADMN CC(=O)OC[C@H](C)NCc1cc(F)ccc1F ZINC000892920545 583009555 /nfs/dbraw/zinc/00/95/55/583009555.db2.gz WAMPTMCEBHPRKB-QMMMGPOBSA-N 0 1 243.253 2.006 20 0 BEADMN CCCSC[C@H](C)NCc1cocn1 ZINC000892977355 583024946 /nfs/dbraw/zinc/02/49/46/583024946.db2.gz PIBKPMIYLGJFGH-VIFPVBQESA-N 0 1 214.334 2.296 20 0 BEADMN CCn1cc(CNCc2cnc(F)c(C)c2)cn1 ZINC000893000225 583027061 /nfs/dbraw/zinc/02/70/61/583027061.db2.gz JMVQEQPIAHWUKM-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CC(C)c1ccoc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224567 583031945 /nfs/dbraw/zinc/03/19/45/583031945.db2.gz WFSANNCCACQUNB-QMMMGPOBSA-N 0 1 249.270 2.439 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000856463438 588873113 /nfs/dbraw/zinc/87/31/13/588873113.db2.gz YLMOSHMOQIRHDQ-JTQLQIEISA-N 0 1 247.342 2.405 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000840583350 583037872 /nfs/dbraw/zinc/03/78/72/583037872.db2.gz XYZHDPNQEHFNRM-BDAKNGLRSA-N 0 1 249.314 2.464 20 0 BEADMN COc1ccc(C[NH2+][C@@H](C)Cc2cc(C)[nH]n2)o1 ZINC000893113834 583051674 /nfs/dbraw/zinc/05/16/74/583051674.db2.gz QJYHPQZNWZBGPD-VIFPVBQESA-N 0 1 249.314 2.041 20 0 BEADMN CS[C@H](C)CNCc1nnc(C2CC2)s1 ZINC000893181907 583065314 /nfs/dbraw/zinc/06/53/14/583065314.db2.gz NJSZJEFZUCWWSL-SSDOTTSWSA-N 0 1 243.401 2.257 20 0 BEADMN C[C@H]1C[C@@H](NCc2cn(C)nc2Cl)CS1 ZINC000856790579 588878303 /nfs/dbraw/zinc/87/83/03/588878303.db2.gz FRJAGYNGDWTKTN-IONNQARKSA-N 0 1 245.779 2.057 20 0 BEADMN CN(Cc1cc(O)cc(Cl)c1)C1CC(O)C1 ZINC000893576854 583166474 /nfs/dbraw/zinc/16/64/74/583166474.db2.gz COUGRYAYMGBGKR-UHFFFAOYSA-N 0 1 241.718 2.001 20 0 BEADMN C[C@@H]1COCCCN1CCC(=O)c1ccccc1 ZINC000399269360 583172645 /nfs/dbraw/zinc/17/26/45/583172645.db2.gz CDTTVNPEFONRLX-CYBMUJFWSA-N 0 1 247.338 2.370 20 0 BEADMN Cc1noc(C)c1CNCc1cccc(CO)c1 ZINC000222115837 583173980 /nfs/dbraw/zinc/17/39/80/583173980.db2.gz WTKVKBFFXXPZSU-UHFFFAOYSA-N 0 1 246.310 2.074 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cn(C)nc1Cl ZINC000857026613 588882248 /nfs/dbraw/zinc/88/22/48/588882248.db2.gz SVQNHSSQFDBLRI-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000223834387 583181935 /nfs/dbraw/zinc/18/19/35/583181935.db2.gz CTCZHCLDANRSIO-JSGCOSHPSA-N 0 1 247.338 2.456 20 0 BEADMN CCc1ccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000223826693 583181947 /nfs/dbraw/zinc/18/19/47/583181947.db2.gz LHUIVCMLFKSXRY-FZMZJTMJSA-N 0 1 247.338 2.402 20 0 BEADMN C[C@H]1CCCN1Cc1cn(C)nc1Cl ZINC000857020569 588882406 /nfs/dbraw/zinc/88/24/06/588882406.db2.gz AQJXTEGIZHREQK-QMMMGPOBSA-N 0 1 213.712 2.058 20 0 BEADMN CCOc1cncc(CN2CCC2(C)C)c1 ZINC000857021136 588882448 /nfs/dbraw/zinc/88/24/48/588882448.db2.gz QCSHHQLODWROSR-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN C[C@@H]1CN(Cc2cn(C)nc2Cl)C[C@H]1C ZINC000857022145 588882606 /nfs/dbraw/zinc/88/26/06/588882606.db2.gz HGJZIYFYNSICEJ-RKDXNWHRSA-N 0 1 227.739 2.161 20 0 BEADMN C[C@H]1CN(Cc2cn(C)nc2Cl)C[C@H]1C ZINC000857022143 588882617 /nfs/dbraw/zinc/88/26/17/588882617.db2.gz HGJZIYFYNSICEJ-DTORHVGOSA-N 0 1 227.739 2.161 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893872748 583237809 /nfs/dbraw/zinc/23/78/09/583237809.db2.gz UREFCGHKKNYHEB-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@H](CC)C(=O)NC[C@H]1CCN1CC ZINC000893872748 583237812 /nfs/dbraw/zinc/23/78/12/583237812.db2.gz UREFCGHKKNYHEB-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/C(C)(C)C ZINC000893873900 583239184 /nfs/dbraw/zinc/23/91/84/583239184.db2.gz SBNHDKIOSBRXPS-ZKQHCESOSA-N 0 1 238.375 2.189 20 0 BEADMN CCN1CC[C@H]1CNC(=O)/C(C)=C/C(C)(C)C ZINC000893873900 583239185 /nfs/dbraw/zinc/23/91/85/583239185.db2.gz SBNHDKIOSBRXPS-ZKQHCESOSA-N 0 1 238.375 2.189 20 0 BEADMN Cc1n[nH]c(C[N@H+](C)C2CCCC2)c1C ZINC000893915468 583246408 /nfs/dbraw/zinc/24/64/08/583246408.db2.gz VGKLNIVWZNNEGT-UHFFFAOYSA-N 0 1 207.321 2.401 20 0 BEADMN CC[C@H]1CN(Cc2n[nH]c(C)c2C)C[C@H](C)O1 ZINC000893976051 583264940 /nfs/dbraw/zinc/26/49/40/583264940.db2.gz LYJGHEBDMDGVSL-CABZTGNLSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1n[nH]c(CN2C[C@H](C)S[C@@H](C)C2)c1C ZINC000893978097 583266507 /nfs/dbraw/zinc/26/65/07/583266507.db2.gz PIGDIEIYHUPCCJ-IUCAKERBSA-N 0 1 239.388 2.352 20 0 BEADMN CSc1ccc(CN(C)CC[C@H](C)O)o1 ZINC000894033519 583276550 /nfs/dbraw/zinc/27/65/50/583276550.db2.gz HFYDOJFVZLZGSA-VIFPVBQESA-N 0 1 229.345 2.204 20 0 BEADMN Cc1n[nH]c(CN2CCSC(C)(C)C2)c1C ZINC000894033716 583277087 /nfs/dbraw/zinc/27/70/87/583277087.db2.gz HDTMDYJIPBBYGE-UHFFFAOYSA-N 0 1 239.388 2.354 20 0 BEADMN CC1CN(Cc2cnn(C3CCC3)c2)C1 ZINC000894157676 583320545 /nfs/dbraw/zinc/32/05/45/583320545.db2.gz FDLAWDSBPZJZJQ-UHFFFAOYSA-N 0 1 205.305 2.060 20 0 BEADMN Cc1ncoc1CN[C@@H]1COc2ccccc2C1 ZINC000894204034 583338408 /nfs/dbraw/zinc/33/84/08/583338408.db2.gz HKMRCNAXYUFGII-LBPRGKRZSA-N 0 1 244.294 2.076 20 0 BEADMN Cc1conc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000877934059 583354667 /nfs/dbraw/zinc/35/46/67/583354667.db2.gz AKWFYZZQILWOMM-AOOOYVTPSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1conc1CN1C[C@H](C)C[C@H](C)C1 ZINC000877934059 583354670 /nfs/dbraw/zinc/35/46/70/583354670.db2.gz AKWFYZZQILWOMM-AOOOYVTPSA-N 0 1 208.305 2.461 20 0 BEADMN CSC[C@@H]1CCCN1Cc1nocc1C ZINC000878199959 583366936 /nfs/dbraw/zinc/36/69/36/583366936.db2.gz JESSANZHEDFHRO-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN COc1ccc(CN2CCC3(CCO3)CC2)o1 ZINC000894262350 583399950 /nfs/dbraw/zinc/39/99/50/583399950.db2.gz JOMUPPABEVVYOB-UHFFFAOYSA-N 0 1 237.299 2.043 20 0 BEADMN COc1ccc(CN[C@@H]2CSC2(C)C)o1 ZINC000894281014 583408021 /nfs/dbraw/zinc/40/80/21/583408021.db2.gz NJWLNRLDTPMGHP-SECBINFHSA-N 0 1 227.329 2.272 20 0 BEADMN Cc1ncoc1CNCCC(F)(F)F ZINC000894310114 583418869 /nfs/dbraw/zinc/41/88/69/583418869.db2.gz PMCXYFCEVRGTQL-UHFFFAOYSA-N 0 1 208.183 2.025 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000879327548 583425733 /nfs/dbraw/zinc/42/57/33/583425733.db2.gz WKHNDLPMSFOKJT-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN O=C1CCN1CN(CC1CCCCC1)C1CC1 ZINC000857232466 588898058 /nfs/dbraw/zinc/89/80/58/588898058.db2.gz YEHLCRAAJBZZFG-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN COc1cc(C)cc(CNCc2c[nH]cn2)c1 ZINC000894356787 583436074 /nfs/dbraw/zinc/43/60/74/583436074.db2.gz NGGHNHOWBQKWTH-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN CCN(Cc1n[nH]c(C)c1C)CC(F)F ZINC000894456475 583464168 /nfs/dbraw/zinc/46/41/68/583464168.db2.gz REBYQLLFSAYVQZ-UHFFFAOYSA-N 0 1 217.263 2.114 20 0 BEADMN CC[C@@]1(C)CN(Cc2n[nH]c(C)c2C)CCO1 ZINC000894535331 583480121 /nfs/dbraw/zinc/48/01/21/583480121.db2.gz ZEBDHXXMZUWNGS-ZDUSSCGKSA-N 0 1 237.347 2.027 20 0 BEADMN CCc1onc(C)c1CN1CC(C2CC2)C1 ZINC000894566136 583484091 /nfs/dbraw/zinc/48/40/91/583484091.db2.gz MYFVUBOHYMQHPJ-UHFFFAOYSA-N 0 1 220.316 2.387 20 0 BEADMN Cc1cc(CN2CC(C3CC3)C2)cnc1F ZINC000894567717 583485101 /nfs/dbraw/zinc/48/51/01/583485101.db2.gz XCLCGBWNDZMLMO-UHFFFAOYSA-N 0 1 220.291 2.371 20 0 BEADMN CC(C)c1nc(CN2CCC[C@H](CF)C2)n[nH]1 ZINC000880237683 583505758 /nfs/dbraw/zinc/50/57/58/583505758.db2.gz FHPRPSHKVNBCGT-SNVBAGLBSA-N 0 1 240.326 2.110 20 0 BEADMN CC/C=C/CNCc1ccc(OCCOC)o1 ZINC000894702117 583510045 /nfs/dbraw/zinc/51/00/45/583510045.db2.gz DIIASCRMIVGHMI-SNAWJCMRSA-N 0 1 239.315 2.361 20 0 BEADMN CC/C=C\CNCc1ccnc(OC)c1F ZINC000894703983 583510522 /nfs/dbraw/zinc/51/05/22/583510522.db2.gz PXOXIHZLPIVHBS-PLNGDYQASA-N 0 1 224.279 2.285 20 0 BEADMN CC/C=C\CNCc1ccc(OC)cn1 ZINC000894704612 583510727 /nfs/dbraw/zinc/51/07/27/583510727.db2.gz WFQOGTNGPZNDSP-PLNGDYQASA-N 0 1 206.289 2.146 20 0 BEADMN CCN1CCN(Cc2cc(C)co2)[C@H](C)C1 ZINC000894746552 583515256 /nfs/dbraw/zinc/51/52/56/583515256.db2.gz SZEYDFJFRCARJS-GFCCVEGCSA-N 0 1 222.332 2.114 20 0 BEADMN CCC[C@]1(NCc2ocnc2C)CCOC1 ZINC000894748911 583515338 /nfs/dbraw/zinc/51/53/38/583515338.db2.gz UAKCOVZLHPHYKT-LBPRGKRZSA-N 0 1 224.304 2.032 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCC23CCC3)[nH]1 ZINC000894774696 583517788 /nfs/dbraw/zinc/51/77/88/583517788.db2.gz VYAOBLSVOZHWNT-WPRPVWTQSA-N 0 1 220.320 2.096 20 0 BEADMN COC[C@@H]1CCCCN1Cc1ccc(OC)o1 ZINC000894784586 583520927 /nfs/dbraw/zinc/52/09/27/583520927.db2.gz OVQOATDNOJYWQK-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1cnc[nH]1 ZINC000894786378 583521825 /nfs/dbraw/zinc/52/18/25/583521825.db2.gz HDOREMZZZKJRDR-TVQRCGJNSA-N 0 1 229.283 2.022 20 0 BEADMN CCC1CN(Cc2cn(CC)nc2C)C1 ZINC000894812965 583523541 /nfs/dbraw/zinc/52/35/41/583523541.db2.gz JTXDTXSLAKSHPA-UHFFFAOYSA-N 0 1 207.321 2.053 20 0 BEADMN CCC1CN(Cc2cnn(C3CCC3)c2)C1 ZINC000894814122 583524242 /nfs/dbraw/zinc/52/42/42/583524242.db2.gz YHABCQRUISPEGI-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN CCOC1CN(CC2(CCCOC)CCC2)C1 ZINC000894818415 583524906 /nfs/dbraw/zinc/52/49/06/583524906.db2.gz DDQICNJOXYDHAV-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1ncoc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000894829480 583527374 /nfs/dbraw/zinc/52/73/74/583527374.db2.gz UECKVYXLQNWJAK-MNOVXSKESA-N 0 1 242.269 2.460 20 0 BEADMN Cc1ncoc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000894829482 583527409 /nfs/dbraw/zinc/52/74/09/583527409.db2.gz UECKVYXLQNWJAK-WDEREUQCSA-N 0 1 242.269 2.460 20 0 BEADMN C[C@@H]1CN(Cc2c3c(nn2C)CCCC3)[C@@H]1C ZINC000894861160 583534548 /nfs/dbraw/zinc/53/45/48/583534548.db2.gz AEVILLNAIKKWNT-GHMZBOCLSA-N 0 1 233.359 2.139 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1ccc2oc(=O)oc2c1 ZINC000894861483 583536420 /nfs/dbraw/zinc/53/64/20/583536420.db2.gz ILDZZCZPMSSGAL-DTWKUNHWSA-N 0 1 233.267 2.226 20 0 BEADMN Cc1[nH]nc(CN2CCC[C@](C)(F)C2)c1C ZINC000894869003 583538803 /nfs/dbraw/zinc/53/88/03/583538803.db2.gz LDQLGIWRFHEPOI-LBPRGKRZSA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1ocnc1C)OC ZINC000894873603 583541006 /nfs/dbraw/zinc/54/10/06/583541006.db2.gz KHJIBMIFZASWGI-GXSJLCMTSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1n[nH]c(CN2CC[C@H]2C2CC2)c1C ZINC000894880025 583543375 /nfs/dbraw/zinc/54/33/75/583543375.db2.gz ASSQIYZHGQKFAJ-LBPRGKRZSA-N 0 1 205.305 2.011 20 0 BEADMN COCCCC[N@@H+](C)Cc1cccc2c1OCC2 ZINC000894963806 583559943 /nfs/dbraw/zinc/55/99/43/583559943.db2.gz CBGVPNHHGXFABO-UHFFFAOYSA-N 0 1 249.354 2.480 20 0 BEADMN CO[C@@H](CNCc1ocnc1C)CC(C)C ZINC000895024231 583570573 /nfs/dbraw/zinc/57/05/73/583570573.db2.gz JRFGTLVQEDDCRQ-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)[C@@H](C)C2)c(F)c1 ZINC000639075148 583580376 /nfs/dbraw/zinc/58/03/76/583580376.db2.gz XYPPAWJCVVBZLJ-FZMZJTMJSA-N 0 1 237.318 2.337 20 0 BEADMN COc1ccc(CN2CC[C@@H](OC(C)C)C2)o1 ZINC000895084307 583583537 /nfs/dbraw/zinc/58/35/37/583583537.db2.gz YAXQVPLVMDPLAY-GFCCVEGCSA-N 0 1 239.315 2.288 20 0 BEADMN Cc1[nH]nc(CN2CCCC(F)(F)C2)c1C ZINC000895135445 583601889 /nfs/dbraw/zinc/60/18/89/583601889.db2.gz WOBKKYSRKJVLLD-UHFFFAOYSA-N 0 1 229.274 2.258 20 0 BEADMN c1[nH]nc2c1CCC[C@H]2NCCOCC1CCC1 ZINC000857866932 588915477 /nfs/dbraw/zinc/91/54/77/588915477.db2.gz VNGMCCUDPNYNNC-CYBMUJFWSA-N 0 1 249.358 2.193 20 0 BEADMN FC(F)C1(N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000857865900 588915604 /nfs/dbraw/zinc/91/56/04/588915604.db2.gz PZRPZCHHDVOMOJ-QMMMGPOBSA-N 0 1 227.258 2.174 20 0 BEADMN C[C@H](COCC1CC1)NCc1nccn1C1CC1 ZINC000895169373 583611890 /nfs/dbraw/zinc/61/18/90/583611890.db2.gz HVMRUQAFQWRPKT-LLVKDONJSA-N 0 1 249.358 2.123 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC000882491321 583618660 /nfs/dbraw/zinc/61/86/60/583618660.db2.gz DTFXDKAWSHQNAF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN COC[C@@H](NC(=O)C(F)(F)F)c1ccccc1 ZINC000727172654 583619525 /nfs/dbraw/zinc/61/95/25/583619525.db2.gz LEFKPKUKHACNSJ-SECBINFHSA-N 0 1 247.216 2.053 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCC[C@@H](C)O1 ZINC000895274887 583635561 /nfs/dbraw/zinc/63/55/61/583635561.db2.gz PBVNWCSQOMIHQV-KOLCDFICSA-N 0 1 224.304 2.030 20 0 BEADMN CC1=NO[C@@H](CNCc2ccc(C)cc2F)C1 ZINC000895302692 583644743 /nfs/dbraw/zinc/64/47/43/583644743.db2.gz USJWVMWMVHVSHP-GFCCVEGCSA-N 0 1 236.290 2.389 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CC(C)=NO2)s1 ZINC000895309815 583646544 /nfs/dbraw/zinc/64/65/44/583646544.db2.gz VGQNDISPYTVJMO-JTQLQIEISA-N 0 1 239.344 2.014 20 0 BEADMN CC1=NO[C@@H](CNCc2ccc(F)c(F)c2)C1 ZINC000895311849 583647263 /nfs/dbraw/zinc/64/72/63/583647263.db2.gz SOEYBEIWBSZQCB-SNVBAGLBSA-N 0 1 240.253 2.219 20 0 BEADMN COc1nccc(CN[C@H]2C=CCC2)c1F ZINC000895338644 583653739 /nfs/dbraw/zinc/65/37/39/583653739.db2.gz UEZYYOWMALBMLM-JTQLQIEISA-N 0 1 222.263 2.038 20 0 BEADMN Cc1ccnc(N[C@@H](C)CCO)c1C1CC1 ZINC000895347935 583655750 /nfs/dbraw/zinc/65/57/50/583655750.db2.gz WGLUFFQWJOREPQ-JTQLQIEISA-N 0 1 220.316 2.450 20 0 BEADMN Cc1ncoc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000895359338 583659327 /nfs/dbraw/zinc/65/93/27/583659327.db2.gz RNAWGMQISQLYIB-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1n[nH]c(Cn2cnc3c2CCCC3)c1C ZINC000895389880 583664097 /nfs/dbraw/zinc/66/40/97/583664097.db2.gz RHABNMKIYNEYLT-UHFFFAOYSA-N 0 1 230.315 2.150 20 0 BEADMN Cc1noc2ncc(CNCC(C)(C)F)cc12 ZINC000895416154 583667157 /nfs/dbraw/zinc/66/71/57/583667157.db2.gz RSJKJZFAHFHTTR-UHFFFAOYSA-N 0 1 237.278 2.369 20 0 BEADMN Cc1cnc(Cl)c(CNC2([C@H](C)O)CC2)c1 ZINC000895441738 583675133 /nfs/dbraw/zinc/67/51/33/583675133.db2.gz FRNXSFZVBHNLGT-VIFPVBQESA-N 0 1 240.734 2.046 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2ccns2)c1C ZINC000895452368 583676295 /nfs/dbraw/zinc/67/62/95/583676295.db2.gz VLZDJOSYUOUUCS-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN CO[C@@](C)(CN(C)Cc1ccns1)C1CC1 ZINC000895452521 583676358 /nfs/dbraw/zinc/67/63/58/583676358.db2.gz NTLNHYPZUIRQSI-LBPRGKRZSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895462754 583678311 /nfs/dbraw/zinc/67/83/11/583678311.db2.gz WGTRIFPWLMBYCW-RYUDHWBXSA-N 0 1 238.375 2.260 20 0 BEADMN c1ncc(CNc2cccc3c2OCCCO3)[nH]1 ZINC000895467436 583678879 /nfs/dbraw/zinc/67/88/79/583678879.db2.gz NBWLYDOCTUABMU-UHFFFAOYSA-N 0 1 245.282 2.183 20 0 BEADMN CCn1nccc1CNCc1cnc(F)c(C)c1 ZINC000895480302 583680412 /nfs/dbraw/zinc/68/04/12/583680412.db2.gz GFNDRESEFFRFQA-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN FC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000895549562 583686790 /nfs/dbraw/zinc/68/67/90/583686790.db2.gz LSWAQHURFSMELP-UHFFFAOYSA-N 0 1 237.274 2.349 20 0 BEADMN CCn1nccc1CN1CCC[C@@H](CF)C1 ZINC000895546294 583689848 /nfs/dbraw/zinc/68/98/48/583689848.db2.gz ZCSGZCYAZFKEFA-NSHDSACASA-N 0 1 225.311 2.085 20 0 BEADMN CCC(C)(C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000895585711 583694434 /nfs/dbraw/zinc/69/44/34/583694434.db2.gz NVBRRANEDPQHFW-SNVBAGLBSA-N 0 1 226.364 2.164 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCCN1C ZINC000895630128 583698320 /nfs/dbraw/zinc/69/83/20/583698320.db2.gz UYJUVQHUXDOPOX-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000895627667 583698392 /nfs/dbraw/zinc/69/83/92/583698392.db2.gz DGRGGJYNBUYPBP-NXEZZACHSA-N 0 1 234.347 2.240 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895665508 583705258 /nfs/dbraw/zinc/70/52/58/583705258.db2.gz KQTHQJVWYZBNBY-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895702188 583709764 /nfs/dbraw/zinc/70/97/64/583709764.db2.gz JHTGSICMNZTMCA-NEPJUHHUSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895705663 583710054 /nfs/dbraw/zinc/71/00/54/583710054.db2.gz AILXSCHTZNGWEA-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000895708174 583711823 /nfs/dbraw/zinc/71/18/23/583711823.db2.gz ZRASOMMDHGMBJI-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)ncn1 ZINC000895736035 583718190 /nfs/dbraw/zinc/71/81/90/583718190.db2.gz ZPOGXOQTAXLQON-AAEUAGOBSA-N 0 1 248.374 2.180 20 0 BEADMN C[C@H](NCC1CCSCC1)c1ncco1 ZINC000895765538 583723063 /nfs/dbraw/zinc/72/30/63/583723063.db2.gz OMXUZEGSLHKRTI-VIFPVBQESA-N 0 1 226.345 2.468 20 0 BEADMN Cc1cc(NC[C@H]2CCN2C)nc(C2CCC2)n1 ZINC000895768144 583723623 /nfs/dbraw/zinc/72/36/23/583723623.db2.gz XJAVFALWWCIPFS-GFCCVEGCSA-N 0 1 246.358 2.169 20 0 BEADMN CC(C)c1cnc(NC[C@H]2CCN2C)s1 ZINC000895770339 583724836 /nfs/dbraw/zinc/72/48/36/583724836.db2.gz MWVRWGHUELXXGE-SECBINFHSA-N 0 1 225.361 2.383 20 0 BEADMN CCn1cc(CN[C@@H]2C[C@H]2C(F)(F)F)c(C)n1 ZINC000895783026 583729748 /nfs/dbraw/zinc/72/97/48/583729748.db2.gz KYGFHLDTQCVWMK-NXEZZACHSA-N 0 1 247.264 2.252 20 0 BEADMN CON(C)CCNCc1ccc(F)cc1Cl ZINC000883172042 583733435 /nfs/dbraw/zinc/73/34/35/583733435.db2.gz RYHHBFPMWKWHSP-UHFFFAOYSA-N 0 1 246.713 2.062 20 0 BEADMN Cn1cc(CN2CC(C)(C)C2)c(C2CC2)n1 ZINC000895825254 583734644 /nfs/dbraw/zinc/73/46/44/583734644.db2.gz GTCVVAVIFQGXNB-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN COCCc1ncc(CN(C)CCCF)s1 ZINC000895896653 583744585 /nfs/dbraw/zinc/74/45/85/583744585.db2.gz XYDOZIYBGWOKQJ-UHFFFAOYSA-N 0 1 246.351 2.123 20 0 BEADMN CCc1ncc(CN2C[C@H](OC)CC[C@@H]2C)cn1 ZINC000895926031 583747927 /nfs/dbraw/zinc/74/79/27/583747927.db2.gz AZXRVSFPURPGDP-WCQYABFASA-N 0 1 249.358 2.038 20 0 BEADMN C1=C[C@H](CNCc2nnc(C3CC3)s2)CC1 ZINC000895995599 583761301 /nfs/dbraw/zinc/76/13/01/583761301.db2.gz UBQAHHPEIJVPPI-VIFPVBQESA-N 0 1 235.356 2.471 20 0 BEADMN CN(CCCF)Cc1cn(C)nc1C1CC1 ZINC000896070465 583768176 /nfs/dbraw/zinc/76/81/76/583768176.db2.gz WFZMKVZBFDNHRT-UHFFFAOYSA-N 0 1 225.311 2.089 20 0 BEADMN C1=CCC(CCNc2ncnc3[nH]cnc32)C1 ZINC000896095529 583771582 /nfs/dbraw/zinc/77/15/82/583771582.db2.gz JUWJCCXKSXZKJE-UHFFFAOYSA-N 0 1 229.287 2.073 20 0 BEADMN CCCN(C(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000896162761 583776890 /nfs/dbraw/zinc/77/68/90/583776890.db2.gz USMWVMCWIMPVQY-LBPRGKRZSA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000896456775 583803134 /nfs/dbraw/zinc/80/31/34/583803134.db2.gz ACLZHGBHHZWFFZ-NWDGAFQWSA-N 0 1 236.359 2.084 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000896523081 583808792 /nfs/dbraw/zinc/80/87/92/583808792.db2.gz XFTQZWCCHUCZIX-GRYCIOLGSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)n1cncc1CN1CCO[C@@H](C)CC1 ZINC000896576946 583813397 /nfs/dbraw/zinc/81/33/97/583813397.db2.gz GOXOCVULIOROCU-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@H]1CCN(Cc2cc3cccnc3o2)CCO1 ZINC000896578765 583814320 /nfs/dbraw/zinc/81/43/20/583814320.db2.gz VXIUZRNGAUGQHV-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)CCO1 ZINC000896577732 583814530 /nfs/dbraw/zinc/81/45/30/583814530.db2.gz NRKKEZMBBRYBOP-GFCCVEGCSA-N 0 1 246.354 2.181 20 0 BEADMN CCc1ccc(CN2CCO[C@H](C)CC2)o1 ZINC000896583969 583815366 /nfs/dbraw/zinc/81/53/66/583815366.db2.gz KQTNTLOKZUEQSV-LLVKDONJSA-N 0 1 223.316 2.453 20 0 BEADMN C[C@H]1CCN(Cc2cccc3c2OCO3)CCO1 ZINC000896585542 583815785 /nfs/dbraw/zinc/81/57/85/583815785.db2.gz VBUJPOOXVYJKCU-NSHDSACASA-N 0 1 249.310 2.026 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2ncccn2)C2CC2)CS1 ZINC000896599884 583817268 /nfs/dbraw/zinc/81/72/68/583817268.db2.gz UFJZYUUOAAGXKX-ADEWGFFLSA-N 0 1 249.383 2.411 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccnc(F)c1 ZINC000858126135 588934443 /nfs/dbraw/zinc/93/44/43/588934443.db2.gz UKKOGECZVVFZLJ-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN CC[N@@H+](CCC(N)=O)Cc1cscc1Cl ZINC000896712252 583826340 /nfs/dbraw/zinc/82/63/40/583826340.db2.gz OEHBSINTMPPTFJ-UHFFFAOYSA-N 0 1 246.763 2.099 20 0 BEADMN CCN(CCC(N)=O)Cc1cscc1Cl ZINC000896712252 583826341 /nfs/dbraw/zinc/82/63/41/583826341.db2.gz OEHBSINTMPPTFJ-UHFFFAOYSA-N 0 1 246.763 2.099 20 0 BEADMN CSC1(CN2CCn3cccc3C2)CC1 ZINC000896760559 583831052 /nfs/dbraw/zinc/83/10/52/583831052.db2.gz CACCNNYSJJNGNB-UHFFFAOYSA-N 0 1 222.357 2.199 20 0 BEADMN Cc1cccc(NCC2(C3(O)CCC3)CC2)n1 ZINC000896808387 583834944 /nfs/dbraw/zinc/83/49/44/583834944.db2.gz DEMGPGCBHTVACL-UHFFFAOYSA-N 0 1 232.327 2.497 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000896944968 583863083 /nfs/dbraw/zinc/86/30/83/583863083.db2.gz TXAGXURZVDTKRN-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nnc(CN[C@@H]2CCS[C@@H](C)C2)s1 ZINC000896951758 583864193 /nfs/dbraw/zinc/86/41/93/583864193.db2.gz LOQMTIBAYXXGQV-IONNQARKSA-N 0 1 243.401 2.220 20 0 BEADMN CC[C@H](C)N(OC)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897043178 583873911 /nfs/dbraw/zinc/87/39/11/583873911.db2.gz NRACZWTUDUETTL-QWRGUYRKSA-N 0 1 242.363 2.048 20 0 BEADMN CC(=O)OC[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000897071174 583877406 /nfs/dbraw/zinc/87/74/06/583877406.db2.gz XYFXKQNDKUIQAU-GXFFZTMASA-N 0 1 248.326 2.000 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897165176 583886659 /nfs/dbraw/zinc/88/66/59/583886659.db2.gz NSAXNBSOCWGQGD-NEPJUHHUSA-N 0 1 240.391 2.410 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)c1cccc2[nH]ncc21 ZINC000729089482 583955173 /nfs/dbraw/zinc/95/51/73/583955173.db2.gz GFCBWKSYNJFZQI-DTWKUNHWSA-N 0 1 230.267 2.376 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729091357 583955763 /nfs/dbraw/zinc/95/57/63/583955763.db2.gz FAYKGIXHGWTKMU-DTWKUNHWSA-N 0 1 246.266 2.483 20 0 BEADMN CCC[C@@H](CNCc1ccc(C)nn1)OCC ZINC000858210749 588939067 /nfs/dbraw/zinc/93/90/67/588939067.db2.gz XWVDTAXAXYQEPB-ZDUSSCGKSA-N 0 1 237.347 2.080 20 0 BEADMN CC1(C)C[C@@H](NCc2cocn2)CCS1 ZINC000897795197 584049212 /nfs/dbraw/zinc/04/92/12/584049212.db2.gz MVQQHHHVWKKVEY-VIFPVBQESA-N 0 1 226.345 2.438 20 0 BEADMN CCC1(C)CN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000897808006 584049834 /nfs/dbraw/zinc/04/98/34/584049834.db2.gz HFPIDKNBLHAYEJ-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1noc(C2(NC[C@@H]3C[C@H]4C[C@H]4C3)CC2)n1 ZINC000897895947 584058743 /nfs/dbraw/zinc/05/87/43/584058743.db2.gz KSNXRCUNQYFUCB-JGPRNRPPSA-N 0 1 233.315 2.003 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@@H]3CCC[C@H]23)s1 ZINC000897957601 584065865 /nfs/dbraw/zinc/06/58/65/584065865.db2.gz CPOWQZCESZHLMF-LPEHRKFASA-N 0 1 223.345 2.125 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897959857 584067687 /nfs/dbraw/zinc/06/76/87/584067687.db2.gz WZHUURCJDWMRTO-SDDRHHMPSA-N 0 1 234.347 2.137 20 0 BEADMN C[C@@H](CSC(C)(C)C)NCc1cn(C)cn1 ZINC000898045412 584073881 /nfs/dbraw/zinc/07/38/81/584073881.db2.gz MICLZZBFCCNERL-JTQLQIEISA-N 0 1 241.404 2.430 20 0 BEADMN COc1nn(C)cc1CNCc1ccc(C)cc1 ZINC000898028239 584076796 /nfs/dbraw/zinc/07/67/96/584076796.db2.gz LENBGTCJOPAKCL-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2cn(C)cn2)CS1 ZINC000898043656 584081200 /nfs/dbraw/zinc/08/12/00/584081200.db2.gz XCTTZUOWOXEOCV-ZYHUDNBSSA-N 0 1 239.388 2.040 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2cn(C)cn2)CS1 ZINC000898043653 584081244 /nfs/dbraw/zinc/08/12/44/584081244.db2.gz XCTTZUOWOXEOCV-CMPLNLGQSA-N 0 1 239.388 2.040 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1F ZINC000898189117 584094946 /nfs/dbraw/zinc/09/49/46/584094946.db2.gz XCCKARRQJOIHBO-GBJTYRQASA-N 0 1 249.329 2.195 20 0 BEADMN COCCCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866214593 584116769 /nfs/dbraw/zinc/11/67/69/584116769.db2.gz QAALTJFXRLRGIB-YPMHNXCESA-N 0 1 239.290 2.084 20 0 BEADMN CC1(C)C(C)(C)C1(C)NCc1cc[nH]n1 ZINC000898414647 584131443 /nfs/dbraw/zinc/13/14/43/584131443.db2.gz SGMWQQKUHJUTIE-UHFFFAOYSA-N 0 1 207.321 2.324 20 0 BEADMN CCc1onc(C)c1CNC/C=C\Cl ZINC000898428132 584132903 /nfs/dbraw/zinc/13/29/03/584132903.db2.gz MMNYUMJJKPNYTM-PLNGDYQASA-N 0 1 214.696 2.388 20 0 BEADMN Cn1ncc(CNC/C=C\Cl)c1C1CC1 ZINC000898428370 584133125 /nfs/dbraw/zinc/13/31/25/584133125.db2.gz OBBHMJBFVUOTIN-DJWKRKHSSA-N 0 1 225.723 2.140 20 0 BEADMN COc1cncc(CNC/C=C\Cl)c1C ZINC000898429375 584133247 /nfs/dbraw/zinc/13/32/47/584133247.db2.gz NYONGLQLJLXWIN-ARJAWSKDSA-N 0 1 226.707 2.241 20 0 BEADMN Cn1ncc(C2CC2)c1CNC/C=C\Cl ZINC000898430317 584134615 /nfs/dbraw/zinc/13/46/15/584134615.db2.gz YOFCTMADHQPJDD-DJWKRKHSSA-N 0 1 225.723 2.140 20 0 BEADMN CCN(C)c1ccc(CNC/C=C\Cl)cn1 ZINC000898434924 584135977 /nfs/dbraw/zinc/13/59/77/584135977.db2.gz ZBANZWDLKWVAPI-DAXSKMNVSA-N 0 1 239.750 2.380 20 0 BEADMN Cc1ncsc1CNC/C=C/Cl ZINC000898435831 584136116 /nfs/dbraw/zinc/13/61/16/584136116.db2.gz NPEIDADUEGQDMF-NSCUHMNNSA-N 0 1 202.710 2.294 20 0 BEADMN FCCn1cc(N[C@@H]2CCCc3[nH]ncc32)cn1 ZINC000858491530 588959980 /nfs/dbraw/zinc/95/99/80/588959980.db2.gz JQVFMJTVZRQVIM-LLVKDONJSA-N 0 1 249.293 2.065 20 0 BEADMN O[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)o1)C2 ZINC000898555379 584141884 /nfs/dbraw/zinc/14/18/84/584141884.db2.gz LMBRIFHJGKIHMR-KXUCPTDWSA-N 0 1 241.718 2.278 20 0 BEADMN O=C(NOc1ccc(F)cc1)C1(C2CC2)CC1 ZINC000898576097 584143445 /nfs/dbraw/zinc/14/34/45/584143445.db2.gz JCUUGIYUNZZCQV-UHFFFAOYSA-N 0 1 235.258 2.426 20 0 BEADMN O=C(NOc1ccc(F)cc1)C12CC(C1)C2 ZINC000898577128 584143585 /nfs/dbraw/zinc/14/35/85/584143585.db2.gz VUUMTHLUPOOUEK-UHFFFAOYSA-N 0 1 221.231 2.036 20 0 BEADMN CC(C)(C)CCC(=O)N1CC(N2CCCC2)C1 ZINC000898608879 584145382 /nfs/dbraw/zinc/14/53/82/584145382.db2.gz IWHPHMARUZWVNC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)CCC(=O)N1CC(N2CCCC2)C1 ZINC000898605506 584145843 /nfs/dbraw/zinc/14/58/43/584145843.db2.gz XAMXSGUIFDTUDI-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000898788491 584159408 /nfs/dbraw/zinc/15/94/08/584159408.db2.gz QNKIEWNLLSBXDK-NWDGAFQWSA-N 0 1 238.375 2.164 20 0 BEADMN O=C(NC[C@H]1C=CCC1)[C@H]1CCN1C1CCCC1 ZINC000899198970 584180080 /nfs/dbraw/zinc/18/00/80/584180080.db2.gz CREUPCAXKOPIGO-GXTWGEPZSA-N 0 1 248.370 2.086 20 0 BEADMN C=C/C=C\CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000899203754 584181190 /nfs/dbraw/zinc/18/11/90/584181190.db2.gz SSGKRRAAXZSURL-DGMVEKRQSA-N 0 1 236.359 2.108 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1C1CCCC1 ZINC000899346950 584199078 /nfs/dbraw/zinc/19/90/78/584199078.db2.gz CNHBKJJZURMAQU-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN Cn1nccc1N1N=C2CCCCCC[C@H]2C1=O ZINC000899363511 584204970 /nfs/dbraw/zinc/20/49/70/584204970.db2.gz COJVXMXCTSGPDR-SNVBAGLBSA-N 0 1 246.314 2.093 20 0 BEADMN Cn1nccc1-n1[nH]c2c(c1=O)CCCCCC2 ZINC000899363511 584204973 /nfs/dbraw/zinc/20/49/73/584204973.db2.gz COJVXMXCTSGPDR-SNVBAGLBSA-N 0 1 246.314 2.093 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1cc(F)ccc1F ZINC000899361737 584206696 /nfs/dbraw/zinc/20/66/96/584206696.db2.gz CEECJNAOUNOEGG-MRVPVSSYSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1cc(F)ccc1F)CCC2 ZINC000899361737 584206699 /nfs/dbraw/zinc/20/66/99/584206699.db2.gz CEECJNAOUNOEGG-MRVPVSSYSA-N 0 1 236.221 2.468 20 0 BEADMN Cc1[nH]n(-c2ccc(F)c(F)c2)c(=O)c1C ZINC000899359866 584207239 /nfs/dbraw/zinc/20/72/39/584207239.db2.gz BJEYDHDIWFSTHI-ZCFIWIBFSA-N 0 1 224.210 2.323 20 0 BEADMN C[C@H]1CCN(C(=O)CN(C)C)[C@H]1c1ccccc1 ZINC000899375383 584207514 /nfs/dbraw/zinc/20/75/14/584207514.db2.gz LMFWMOFKNSMORW-SWLSCSKDSA-N 0 1 246.354 2.158 20 0 BEADMN CNC(C)(C)c1cn(CC2CCC=CCC2)nn1 ZINC000899743159 584236008 /nfs/dbraw/zinc/23/60/08/584236008.db2.gz XLAXQVRIEGJORD-UHFFFAOYSA-N 0 1 248.374 2.479 20 0 BEADMN CN[C@H](C)c1cn(CC2CCC=CCC2)nn1 ZINC000899742657 584236310 /nfs/dbraw/zinc/23/63/10/584236310.db2.gz BYJUDTUMQARVGC-LLVKDONJSA-N 0 1 234.347 2.305 20 0 BEADMN CC1(c2nc([C@H]3CCCN3)no2)CC=CC1 ZINC000900010896 584266007 /nfs/dbraw/zinc/26/60/07/584266007.db2.gz YTICSFUEAUFHTD-SECBINFHSA-N 0 1 219.288 2.102 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC000900096527 584273412 /nfs/dbraw/zinc/27/34/12/584273412.db2.gz GUGXNOLKICSODJ-NSHDSACASA-N 0 1 237.347 2.283 20 0 BEADMN CCCC[C@H](CC)CNC(=O)c1[nH]ncc1F ZINC000900111418 584276753 /nfs/dbraw/zinc/27/67/53/584276753.db2.gz VCMGJTWJYHGNCK-VIFPVBQESA-N 0 1 241.310 2.495 20 0 BEADMN CC[C@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900189273 584284900 /nfs/dbraw/zinc/28/49/00/584284900.db2.gz XFZRNHNNCSOUKP-CMPLNLGQSA-N 0 1 235.331 2.037 20 0 BEADMN CCCC[C@H]1CCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900543166 584324335 /nfs/dbraw/zinc/32/43/35/584324335.db2.gz LUSVLCZRNVCAQF-AAEUAGOBSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](C)C1 ZINC000900697624 584339428 /nfs/dbraw/zinc/33/94/28/584339428.db2.gz GUCVULHKUPCJQN-KHQFGBGNSA-N 0 1 239.294 2.103 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000900718087 584344494 /nfs/dbraw/zinc/34/44/94/584344494.db2.gz JSPLGRJNYUDVJZ-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1cnc[nH]1 ZINC000900718084 584344536 /nfs/dbraw/zinc/34/45/36/584344536.db2.gz JSPLGRJNYUDVJZ-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCC[C@@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC000900733158 584347244 /nfs/dbraw/zinc/34/72/44/584347244.db2.gz ZCRWBOPIZFXDFF-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC1(C)C ZINC000900787563 584351704 /nfs/dbraw/zinc/35/17/04/584351704.db2.gz NXVQXZWHRYCBCZ-CABZTGNLSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900953710 584366258 /nfs/dbraw/zinc/36/62/58/584366258.db2.gz FOGGHJCQVVIHGU-CMPLNLGQSA-N 0 1 249.358 2.283 20 0 BEADMN CCCC[C@H](CCC)NC(=O)Cc1cnc[nH]1 ZINC000900953026 584366650 /nfs/dbraw/zinc/36/66/50/584366650.db2.gz AIKYSGMNEAIFQE-NSHDSACASA-N 0 1 237.347 2.427 20 0 BEADMN CC[C@@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000900973370 584369600 /nfs/dbraw/zinc/36/96/00/584369600.db2.gz DBJZAQLKYFNYLC-QMMMGPOBSA-N 0 1 233.271 2.086 20 0 BEADMN CCCC1(CNC(=O)Cc2cnc[nH]2)CCC1 ZINC000901034269 584376309 /nfs/dbraw/zinc/37/63/09/584376309.db2.gz YSTUSZRCOQNRSE-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CCCC[C@@H](NC(=O)Cc1cnc[nH]1)C1CCC1 ZINC000901021473 584377534 /nfs/dbraw/zinc/37/75/34/584377534.db2.gz JQIHAHGAKZPJGW-CYBMUJFWSA-N 0 1 249.358 2.427 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])[C@H](C)C(C)C ZINC000116379659 588978948 /nfs/dbraw/zinc/97/89/48/588978948.db2.gz WOVICRGPFXKBEW-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1ccccc1-c1cc(CN(C)CCO)on1 ZINC000901388491 584437002 /nfs/dbraw/zinc/43/70/02/584437002.db2.gz UYWLZKIOOYRNLZ-UHFFFAOYSA-N 0 1 246.310 2.074 20 0 BEADMN CCC[C@@H](N)c1cc(-c2cnc(N)s2)no1 ZINC000901390233 584437164 /nfs/dbraw/zinc/43/71/64/584437164.db2.gz JOIJUYWXMZGVJQ-ZCFIWIBFSA-N 0 1 238.316 2.180 20 0 BEADMN CC(C)[C@@H](N)c1cc(-c2cnc(N)s2)no1 ZINC000901390797 584437265 /nfs/dbraw/zinc/43/72/65/584437265.db2.gz YKDAXKMUOSSDPW-SECBINFHSA-N 0 1 238.316 2.036 20 0 BEADMN Cc1nc2sccn2c1-c1cc([C@H](C)N)on1 ZINC000901406002 584439354 /nfs/dbraw/zinc/43/93/54/584439354.db2.gz BRWQNHWRQRRQRB-LURJTMIESA-N 0 1 248.311 2.379 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000901426333 584442495 /nfs/dbraw/zinc/44/24/95/584442495.db2.gz HDJVIIONWWJREV-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(SC)s1 ZINC000901426658 584442722 /nfs/dbraw/zinc/44/27/22/584442722.db2.gz MEJSKESVLPDEGD-UHFFFAOYSA-N 0 1 245.369 2.377 20 0 BEADMN CSC(C)(C)CC[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000901520316 584457905 /nfs/dbraw/zinc/45/79/05/584457905.db2.gz WAHXWVVLOFOGOP-NSHDSACASA-N 0 1 249.351 2.017 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CC2CCCCCC2)C1 ZINC000901516607 584461586 /nfs/dbraw/zinc/46/15/86/584461586.db2.gz UNDPIVUPYJHDFG-ZDUSSCGKSA-N 0 1 243.322 2.455 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000901553174 584465307 /nfs/dbraw/zinc/46/53/07/584465307.db2.gz TVEDQZRHNYETOZ-JTQLQIEISA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1(C)CC1 ZINC000901592595 584465949 /nfs/dbraw/zinc/46/59/49/584465949.db2.gz FVOFGCZALXIWTN-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)[O-])CC(C)C)OC ZINC000901585851 584467700 /nfs/dbraw/zinc/46/77/00/584467700.db2.gz AOTWGLUMKIPYMU-VXGBXAGGSA-N 0 1 245.363 2.090 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(SC)o1 ZINC000901602972 584468173 /nfs/dbraw/zinc/46/81/73/584468173.db2.gz ZQOBXRVCHWUVIY-UHFFFAOYSA-N 0 1 243.328 2.298 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000901599250 584468206 /nfs/dbraw/zinc/46/82/06/584468206.db2.gz TZRGWQWSZNMNOT-SNVBAGLBSA-N 0 1 246.310 2.320 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc2[nH]ccc2c1 ZINC000901605077 584468763 /nfs/dbraw/zinc/46/87/63/584468763.db2.gz GERPJNWENMDSLQ-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN O=C([O-])c1ccc2c(c1)CC[N@H+](CC1CC1)C2 ZINC000901668322 584476993 /nfs/dbraw/zinc/47/69/93/584476993.db2.gz BIPKRYRRIONDPY-UHFFFAOYSA-N 0 1 231.295 2.153 20 0 BEADMN CCC(CC)C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890078 584501563 /nfs/dbraw/zinc/50/15/63/584501563.db2.gz HDMPQBHWNHFKER-LLVKDONJSA-N 0 1 245.388 2.172 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CCSCC1)C1CC1 ZINC000901973189 584508983 /nfs/dbraw/zinc/50/89/83/584508983.db2.gz ZULWOQZUOHIWGS-UHFFFAOYSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000901974245 584509647 /nfs/dbraw/zinc/50/96/47/584509647.db2.gz AXQJCBKCYBKKLK-GFCCVEGCSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1ccoc1C[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000901993467 584511218 /nfs/dbraw/zinc/51/12/18/584511218.db2.gz KIVTYYQGMKWNOB-SNVBAGLBSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1cc(C)cc(CC[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000901979587 584511340 /nfs/dbraw/zinc/51/13/40/584511340.db2.gz CBKGTJGDHVRLMO-LBPRGKRZSA-N 0 1 235.327 2.251 20 0 BEADMN CC1=C[C@H](C)C[C@H](C[N@H+](C)[C@@H](C)C(=O)[O-])C1 ZINC000901980113 584511961 /nfs/dbraw/zinc/51/19/61/584511961.db2.gz PMANARAYNPYRRA-DLOVCJGASA-N 0 1 225.332 2.384 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901980423 584512007 /nfs/dbraw/zinc/51/20/07/584512007.db2.gz UMCZMHFSJNRFRH-QJPTWQEYSA-N 0 1 225.332 2.384 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902098816 584525365 /nfs/dbraw/zinc/52/53/65/584525365.db2.gz ROIRJPKQXKLWFT-VOTSOKGWSA-N 0 1 223.272 2.219 20 0 BEADMN C[C@@H]1C[C@@H](C)N(CN2Cc3ccccc3C2=O)C1 ZINC000902156442 584531711 /nfs/dbraw/zinc/53/17/11/584531711.db2.gz JSRUDLSCLBPGSN-VXGBXAGGSA-N 0 1 244.338 2.330 20 0 BEADMN CC[C@@H]1CCN(CN2Cc3ccccc3C2=O)C1 ZINC000902182756 584533204 /nfs/dbraw/zinc/53/32/04/584533204.db2.gz BMXNXVBBCOSSAJ-GFCCVEGCSA-N 0 1 244.338 2.332 20 0 BEADMN CCCC[N@@H+](CCOC)CCC(C)(C)C(=O)[O-] ZINC000902240809 584541708 /nfs/dbraw/zinc/54/17/08/584541708.db2.gz VWXLVTODMMIPNK-UHFFFAOYSA-N 0 1 245.363 2.236 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902240205 584543628 /nfs/dbraw/zinc/54/36/28/584543628.db2.gz OAYCYJRIPIRAGQ-ORAHPGNNSA-N 0 1 235.283 2.219 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902240608 584543829 /nfs/dbraw/zinc/54/38/29/584543829.db2.gz OAYCYJRIPIRAGQ-YEZKRMTDSA-N 0 1 235.283 2.219 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(CN2CCOC2=O)C1 ZINC000902290369 584548639 /nfs/dbraw/zinc/54/86/39/584548639.db2.gz IADWNQAISFESRI-NSHDSACASA-N 0 1 240.347 2.154 20 0 BEADMN CCc1noc(CSCc2[nH]ncc2C)n1 ZINC000902297487 584553184 /nfs/dbraw/zinc/55/31/84/584553184.db2.gz OMVFNHBYNJAOMZ-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN Cc1nc2c(n1C[C@@H]1C[C@]13CCOC3)CCCC2 ZINC000902421861 584592631 /nfs/dbraw/zinc/59/26/31/584592631.db2.gz IWZGAPWTNKVXEU-WFASDCNBSA-N 0 1 246.354 2.497 20 0 BEADMN CCN(Cc1cc(Cl)n(C)n1)C(C)C ZINC000859088233 588999819 /nfs/dbraw/zinc/99/98/19/588999819.db2.gz ZTXUJEVFZMYUKH-UHFFFAOYSA-N 0 1 215.728 2.304 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000902532636 584633411 /nfs/dbraw/zinc/63/34/11/584633411.db2.gz QKUDUZNREKIUGG-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN CCn1cnc(CNCC2=CCCC2)c1 ZINC000902621276 584644789 /nfs/dbraw/zinc/64/47/89/584644789.db2.gz CWRGDUQMASDKON-UHFFFAOYSA-N 0 1 205.305 2.103 20 0 BEADMN CCn1cnc(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000902659814 584650946 /nfs/dbraw/zinc/65/09/46/584650946.db2.gz UKWMRJRDGCTGBP-CYBMUJFWSA-N 0 1 249.358 2.094 20 0 BEADMN c1ncc(CNc2cccnc2C2CC2)[nH]1 ZINC000902695247 584656866 /nfs/dbraw/zinc/65/68/66/584656866.db2.gz PPNDODFGUXNJJN-UHFFFAOYSA-N 0 1 214.272 2.294 20 0 BEADMN Cc1ccc(NC(=O)NC[C@@H]2CCN2C)c(C)c1 ZINC000902932547 584699078 /nfs/dbraw/zinc/69/90/78/584699078.db2.gz DTTRJIYIQSYEID-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1ncn(C)n1 ZINC000902965298 584701765 /nfs/dbraw/zinc/70/17/65/584701765.db2.gz RUJTZNUXJBHSIO-WISYIIOYSA-N 0 1 234.347 2.044 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000902992044 584709902 /nfs/dbraw/zinc/70/99/02/584709902.db2.gz GAIYVJHFWRXFSE-FVCCEPFGSA-N 0 1 227.323 2.378 20 0 BEADMN F[C@H]1CCCN(CCc2cccnc2)C1 ZINC000902993291 584711301 /nfs/dbraw/zinc/71/13/01/584711301.db2.gz SHBZWKIYDPBUDM-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN CC(C)OCCCN1CCC[C@H](F)C1 ZINC000902998253 584714996 /nfs/dbraw/zinc/71/49/96/584714996.db2.gz JFZLYENSTGNVMG-NSHDSACASA-N 0 1 203.301 2.235 20 0 BEADMN c1cc(CC[NH2+][C@@H]2CCCc3c[nH]nc32)sn1 ZINC000903088751 584725284 /nfs/dbraw/zinc/72/52/84/584725284.db2.gz SLDUSRHOGFPGIS-LLVKDONJSA-N 0 1 248.355 2.076 20 0 BEADMN Cc1nonc1CN[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903089726 584725672 /nfs/dbraw/zinc/72/56/72/584725672.db2.gz ZZTHTOHPIKLPPD-JGPRNRPPSA-N 0 1 221.304 2.046 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1cc(C(C)C)no1 ZINC000903098900 584726653 /nfs/dbraw/zinc/72/66/53/584726653.db2.gz VDWLYYXMULAYMQ-YPMHNXCESA-N 0 1 238.331 2.455 20 0 BEADMN CCCc1ncc(CN[C@@H]2CCC[C@@H]2OC)o1 ZINC000903185605 584733619 /nfs/dbraw/zinc/73/36/19/584733619.db2.gz FQUBBMPTOSKKBV-NEPJUHHUSA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1nccn1C ZINC000903266510 584741692 /nfs/dbraw/zinc/74/16/92/584741692.db2.gz XOYAEXWHWQZMIT-UPJWGTAASA-N 0 1 249.358 2.028 20 0 BEADMN C[C@@H]1CC[C@@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903324246 584747332 /nfs/dbraw/zinc/74/73/32/584747332.db2.gz CXGPOTIYFLYYGY-USWWRNFRSA-N 0 1 217.316 2.316 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(CO)on1 ZINC000903318276 584750642 /nfs/dbraw/zinc/75/06/42/584750642.db2.gz PUJGIEIEAHWIOV-SEMCEJNYSA-N 0 1 236.315 2.006 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(CO)on1 ZINC000903318275 584750722 /nfs/dbraw/zinc/75/07/22/584750722.db2.gz PUJGIEIEAHWIOV-LKAMGYQZSA-N 0 1 236.315 2.006 20 0 BEADMN COC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000903332791 584754879 /nfs/dbraw/zinc/75/48/79/584754879.db2.gz UUSYRKYTVSULHR-QWRGUYRKSA-N 0 1 239.363 2.193 20 0 BEADMN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1ncc[nH]1 ZINC000903351000 584755191 /nfs/dbraw/zinc/75/51/91/584755191.db2.gz HEGIRCGQESVKOU-GHMZBOCLSA-N 0 1 237.347 2.408 20 0 BEADMN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ncc[nH]1 ZINC000903351003 584755406 /nfs/dbraw/zinc/75/54/06/584755406.db2.gz HEGIRCGQESVKOU-QWRGUYRKSA-N 0 1 237.347 2.408 20 0 BEADMN CC1(C)CCC[C@H](CN[C@H]2CCn3ccnc32)O1 ZINC000903357123 584755747 /nfs/dbraw/zinc/75/57/47/584755747.db2.gz WSPVNOOQOJFIEP-NEPJUHHUSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](N[C@H]1CCOC12CCCC2)c1ncc[nH]1 ZINC000903390318 584757987 /nfs/dbraw/zinc/75/79/87/584757987.db2.gz UQHONIAMFQMWRR-QWRGUYRKSA-N 0 1 235.331 2.162 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCC(C)(F)F ZINC000903408123 584759208 /nfs/dbraw/zinc/75/92/08/584759208.db2.gz DHDVBGCVDCJULF-RKDXNWHRSA-N 0 1 235.274 2.359 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(=O)[O-])[C@H]1c1ccccc1 ZINC000903411115 584759513 /nfs/dbraw/zinc/75/95/13/584759513.db2.gz KETLMQZHUMULIQ-ZWNOBZJWSA-N 0 1 219.284 2.154 20 0 BEADMN CC(C)(C)OC[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000903419182 584760094 /nfs/dbraw/zinc/76/00/94/584760094.db2.gz YWGGDIWPEBZMHU-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN Cl/C=C/CN[C@@H]1CCCc2n[nH]cc21 ZINC000903444136 584768679 /nfs/dbraw/zinc/76/86/79/584768679.db2.gz NFEJTKYEGBQVGL-OSOUNJMWSA-N 0 1 211.696 2.129 20 0 BEADMN CC[C@H](NC/C=C\Cl)c1cnn(C)c1 ZINC000903444742 584769219 /nfs/dbraw/zinc/76/92/19/584769219.db2.gz QPDKJWLONAHDST-LWTINBJPSA-N 0 1 213.712 2.213 20 0 BEADMN CC[C@@H](c1nc(-c2cc(C)ccn2)no1)N(C)C ZINC000903467586 584774617 /nfs/dbraw/zinc/77/46/17/584774617.db2.gz CLZKVOLDPKJBND-NSHDSACASA-N 0 1 246.314 2.453 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000903607580 584784322 /nfs/dbraw/zinc/78/43/22/584784322.db2.gz KLXJYOHNGNHLCK-WUHRBBMRSA-N 0 1 237.343 2.384 20 0 BEADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903591929 584785252 /nfs/dbraw/zinc/78/52/52/584785252.db2.gz WECPQSRIGSKCLN-ZJUUUORDSA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000903594335 584785346 /nfs/dbraw/zinc/78/53/46/584785346.db2.gz FPEBSKKFGZYAHF-KOLCDFICSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000903594294 584785514 /nfs/dbraw/zinc/78/55/14/584785514.db2.gz FDPRYTVGZSSKDB-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000903596423 584785968 /nfs/dbraw/zinc/78/59/68/584785968.db2.gz UDRIWICBHSVJJD-ZJUUUORDSA-N 0 1 201.310 2.074 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@@H+](C)CCCF ZINC000903628435 584787526 /nfs/dbraw/zinc/78/75/26/584787526.db2.gz YSKKOCDNFKKIMK-LBPRGKRZSA-N 0 1 239.290 2.412 20 0 BEADMN C[N@@H+](CCCF)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000903625186 584787710 /nfs/dbraw/zinc/78/77/10/584787710.db2.gz HLGCVRRPVOLBCP-LLVKDONJSA-N 0 1 243.253 2.243 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H]2C2CC2)s1 ZINC000903690237 584789355 /nfs/dbraw/zinc/78/93/55/584789355.db2.gz URIFYDBLDANLAE-SNVBAGLBSA-N 0 1 237.324 2.431 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1O ZINC000903697528 584790157 /nfs/dbraw/zinc/79/01/57/584790157.db2.gz JSMLMFYEMDPTCT-CQSZACIVSA-N 0 1 249.310 2.140 20 0 BEADMN CC(C)[N@H+](Cc1ccco1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887666 584813468 /nfs/dbraw/zinc/81/34/68/584813468.db2.gz ZFJMHGGDMWVBDX-CMPLNLGQSA-N 0 1 237.299 2.211 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000903889508 584813900 /nfs/dbraw/zinc/81/39/00/584813900.db2.gz MQVAZWJJRMFXBN-FPMFFAJLSA-N 0 1 247.338 2.443 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCc2ccccc2C1 ZINC000903890106 584814053 /nfs/dbraw/zinc/81/40/53/584814053.db2.gz WDPHNMYYJFEZHM-UONOGXRCSA-N 0 1 245.322 2.156 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903892176 584817207 /nfs/dbraw/zinc/81/72/07/584817207.db2.gz WRVAJAOHBNLZLQ-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CCCCCC1 ZINC000903886330 584819029 /nfs/dbraw/zinc/81/90/29/584819029.db2.gz ZGZVIJAWHWJKTG-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903893843 584819142 /nfs/dbraw/zinc/81/91/42/584819142.db2.gz IZTUJGJZFQNSAZ-AXFHLTTASA-N 0 1 225.332 2.218 20 0 BEADMN CC[N@H+](Cc1cccs1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885824 584819306 /nfs/dbraw/zinc/81/93/06/584819306.db2.gz UJWWMHILWFLESO-GXSJLCMTSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@@H]1CCC[C@H](C)C[N@@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903894257 584819586 /nfs/dbraw/zinc/81/95/86/584819586.db2.gz RQEGUJMRZTWALC-WHOHXGKFSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H](C[N@@H+](CC1CC(C)C1)C1CC1)C(=O)[O-] ZINC000903901638 584820468 /nfs/dbraw/zinc/82/04/68/584820468.db2.gz MTHAICVBAYWHLA-YVNMAJEFSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CC(C)C1)C1CCC1 ZINC000903907279 584820975 /nfs/dbraw/zinc/82/09/75/584820975.db2.gz KIJALCHNIPCZPD-YVNMAJEFSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CC2CC(C)C2)C1 ZINC000903903690 584820997 /nfs/dbraw/zinc/82/09/97/584820997.db2.gz FUCSAVLBSPZTGZ-YIZWMMSDSA-N 0 1 239.359 2.465 20 0 BEADMN CC1CC(C[N@H+]2CCc3occc3[C@H]2C(=O)[O-])C1 ZINC000903908828 584821476 /nfs/dbraw/zinc/82/14/76/584821476.db2.gz CARQXLSCHVNAII-ZPPKWKGLSA-N 0 1 249.310 2.310 20 0 BEADMN CC1CC(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])C1 ZINC000903908827 584821581 /nfs/dbraw/zinc/82/15/81/584821581.db2.gz CARQXLSCHVNAII-SRHKJQAYSA-N 0 1 249.310 2.310 20 0 BEADMN CC(C)C[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903929311 584824255 /nfs/dbraw/zinc/82/42/55/584824255.db2.gz WRAWJUWPUKPEHY-ZDUSSCGKSA-N 0 1 249.310 2.163 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936720 584826447 /nfs/dbraw/zinc/82/64/47/584826447.db2.gz TWZTUYBQCOKTLH-PWSUYJOCSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903956557 584832182 /nfs/dbraw/zinc/83/21/82/584832182.db2.gz ADVXTODGRQZJOF-WYUUTHIRSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903956556 584832339 /nfs/dbraw/zinc/83/23/39/584832339.db2.gz ADVXTODGRQZJOF-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1cnc(F)cc1-c1nc([C@H]2CCCN2)no1 ZINC000904074823 584839916 /nfs/dbraw/zinc/83/99/16/584839916.db2.gz ARGCKGIDWFEPIH-SECBINFHSA-N 0 1 248.261 2.004 20 0 BEADMN C[C@H](Nc1ccc(C2CCC2)c[nH+]1)C(=O)[O-] ZINC000904244995 584856804 /nfs/dbraw/zinc/85/68/04/584856804.db2.gz XDHYQOUDOWEOPO-QMMMGPOBSA-N 0 1 220.272 2.234 20 0 BEADMN CC(C)CC1CCN(Cc2ccc(N)nn2)CC1 ZINC000904329029 584865938 /nfs/dbraw/zinc/86/59/38/584865938.db2.gz TUYGHEZRORDENC-UHFFFAOYSA-N 0 1 248.374 2.317 20 0 BEADMN C/C(=C/C[N@H+]([C@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000825729842 584891316 /nfs/dbraw/zinc/89/13/16/584891316.db2.gz NELAQQFYMAEGTM-UJICNMFASA-N 0 1 223.316 2.280 20 0 BEADMN CC[C@@H](C(=O)OCC(F)(F)F)N(CC)CC ZINC000741033924 584904890 /nfs/dbraw/zinc/90/48/90/584904890.db2.gz VZIXEWLJZKEWJX-QMMMGPOBSA-N 0 1 241.253 2.212 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc(Cl)n(C)n1 ZINC000859186519 589016073 /nfs/dbraw/zinc/01/60/73/589016073.db2.gz ZWRHCQMYZKWYRC-MRVPVSSYSA-N 0 1 215.728 2.304 20 0 BEADMN CC(C)[C@H](C)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000763554169 584922507 /nfs/dbraw/zinc/92/25/07/584922507.db2.gz RTVZKYUGEWABIF-UWVGGRQHSA-N 0 1 236.315 2.417 20 0 BEADMN COCC[C@@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000754610056 584926325 /nfs/dbraw/zinc/92/63/25/584926325.db2.gz PZCJXYBYQXAHSK-SECBINFHSA-N 0 1 248.282 2.145 20 0 BEADMN CCc1nc(COC(=O)[C@H](C)[C@H](C)CC)n[nH]1 ZINC000754883814 584933841 /nfs/dbraw/zinc/93/38/41/584933841.db2.gz RCIYGKGGWAYMGR-RKDXNWHRSA-N 0 1 239.319 2.093 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1cc(C)[nH]n1 ZINC000733287124 584945771 /nfs/dbraw/zinc/94/57/71/584945771.db2.gz GJEPNLZMKMSKFS-RMKNXTFCSA-N 0 1 221.304 2.081 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](C(C)C)CC1=O ZINC000733295597 584946406 /nfs/dbraw/zinc/94/64/06/584946406.db2.gz AXONBZJRGNZSCX-QWHCGFSZSA-N 0 1 240.391 2.426 20 0 BEADMN CCCN(CN1C[C@H](C(C)C)CC1=O)C1CC1 ZINC000733300721 584946554 /nfs/dbraw/zinc/94/65/54/584946554.db2.gz WAXIIXWPZWFEGH-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](C)CCC ZINC000741776264 584953280 /nfs/dbraw/zinc/95/32/80/584953280.db2.gz AAKYQCWDRQHIFG-WDEREUQCSA-N 0 1 215.337 2.449 20 0 BEADMN CC[C@@H]1CCCN(Cc2nonc2C)C1 ZINC000734147680 584957300 /nfs/dbraw/zinc/95/73/00/584957300.db2.gz XIXPZHPBOUXDJN-SNVBAGLBSA-N 0 1 209.293 2.000 20 0 BEADMN C[C@@H](C[N@@H+](C[Si](C)(C)C)C1CC1)C(=O)[O-] ZINC000736584121 585006808 /nfs/dbraw/zinc/00/68/08/585006808.db2.gz PLMCGFPRZSFJNY-VIFPVBQESA-N 0 1 229.396 2.049 20 0 BEADMN CO[C@@H]1CC[C@@H](N(C)Cc2nccs2)C1 ZINC000821378977 585016095 /nfs/dbraw/zinc/01/60/95/585016095.db2.gz AAEMFYKUDPVMEC-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2c(C)cccc2C1 ZINC000736859519 585018262 /nfs/dbraw/zinc/01/82/62/585018262.db2.gz BSPJUXBZLTWTDO-CYBMUJFWSA-N 0 1 233.311 2.216 20 0 BEADMN Cc1cc(CC(=O)OCc2ccccc2)n[nH]1 ZINC000756234061 585019077 /nfs/dbraw/zinc/01/90/77/585019077.db2.gz FOZSJWVCWNZYLL-UHFFFAOYSA-N 0 1 230.267 2.004 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)C[C@H]1C ZINC000821911701 585020447 /nfs/dbraw/zinc/02/04/47/585020447.db2.gz BTUDWBGKZHMVNH-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)nc1 ZINC000737096230 585025685 /nfs/dbraw/zinc/02/56/85/585025685.db2.gz MDMPFUKLLWLTQB-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CCc1ccc(C[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000737264763 585028465 /nfs/dbraw/zinc/02/84/65/585028465.db2.gz KJINBAWMFJCFME-UHFFFAOYSA-N 0 1 248.326 2.045 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886041873 585036769 /nfs/dbraw/zinc/03/67/69/585036769.db2.gz ROBWBSXVBPHUHY-XWUBHJNHSA-N 0 1 239.359 2.053 20 0 BEADMN C/C=C/C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000737849233 585038540 /nfs/dbraw/zinc/03/85/40/585038540.db2.gz UUGUWDHFAZZBPH-NSCUHMNNSA-N 0 1 249.701 2.409 20 0 BEADMN C[C@H]1CCCCCN1CN1CCSC1=O ZINC000738221893 585041645 /nfs/dbraw/zinc/04/16/45/585041645.db2.gz DUUFDRZLFAGFHP-JTQLQIEISA-N 0 1 228.361 2.377 20 0 BEADMN CCn1ncc(CN(C)C2CCCCC2)n1 ZINC000838783260 585069679 /nfs/dbraw/zinc/06/96/79/585069679.db2.gz PJZPYXDOBWOCQC-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCn1ncc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000838790357 585070406 /nfs/dbraw/zinc/07/04/06/585070406.db2.gz ZMKSAIAPEAJBFA-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCCCC[C@@H]2C)n1 ZINC000838837417 585073692 /nfs/dbraw/zinc/07/36/92/585073692.db2.gz OWEHCBYIPDDLMD-NSHDSACASA-N 0 1 222.336 2.063 20 0 BEADMN CCn1ncc(CN2C3CCCC2CCC3)n1 ZINC000838849235 585074859 /nfs/dbraw/zinc/07/48/59/585074859.db2.gz RKLFUIZUVHEOMH-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN C[C@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1F ZINC000838922609 585078615 /nfs/dbraw/zinc/07/86/15/585078615.db2.gz UDDHRRQHEZFDAX-UBHSHLNASA-N 0 1 237.318 2.400 20 0 BEADMN CCn1ncc(CN[C@H](C)CCC(C)C)n1 ZINC000838890304 585078700 /nfs/dbraw/zinc/07/87/00/585078700.db2.gz HFJSJHUNTWRBDP-LLVKDONJSA-N 0 1 224.352 2.212 20 0 BEADMN CCCCC[C@H](C)NCc1cnn(CC)n1 ZINC000838894913 585078991 /nfs/dbraw/zinc/07/89/91/585078991.db2.gz KKOZTIQDBPLWRU-NSHDSACASA-N 0 1 224.352 2.356 20 0 BEADMN CCCCCC(C)(C)C(=O)OCc1c[nH]nn1 ZINC000838899170 585079435 /nfs/dbraw/zinc/07/94/35/585079435.db2.gz HUSHQZJPRNQCNH-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN Cc1oc(C(C)C)cc1C(=O)OCc1c[nH]nn1 ZINC000838898911 585079486 /nfs/dbraw/zinc/07/94/86/585079486.db2.gz FRNWQTIWHCZBMU-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)OCc1c[nH]nn1 ZINC000838898030 585079765 /nfs/dbraw/zinc/07/97/65/585079765.db2.gz OHQIHYIKXVHGGB-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN O=C(CC1CCCCCC1)OCc1c[nH]nn1 ZINC000838900458 585079989 /nfs/dbraw/zinc/07/99/89/585079989.db2.gz MRWKDTWIALBYSW-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CC(C)=C[C@@H]1[C@H](C(=O)OCc2c[nH]nn2)C1(C)C ZINC000838899855 585080125 /nfs/dbraw/zinc/08/01/25/585080125.db2.gz AWGLFCOKUYWVIK-GHMZBOCLSA-N 0 1 249.314 2.086 20 0 BEADMN COCc1cc(CN[C@H](C)CCSC)no1 ZINC000838962913 585082183 /nfs/dbraw/zinc/08/21/83/585082183.db2.gz UVJGJYFIACSDMJ-SECBINFHSA-N 0 1 244.360 2.052 20 0 BEADMN CCn1ncc(CNCCCCC(C)C)n1 ZINC000838967239 585082917 /nfs/dbraw/zinc/08/29/17/585082917.db2.gz QKMLNFLGALRYQO-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1cnn(CC)n1 ZINC000839012642 585087167 /nfs/dbraw/zinc/08/71/67/585087167.db2.gz WJTNSYDADKPGGG-CYBMUJFWSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1ncc(CN(CC2CCC2)C(C)C)n1 ZINC000839061243 585089489 /nfs/dbraw/zinc/08/94/89/585089489.db2.gz GDQXGRCWIXWFDJ-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN CCOc1cc(CN2CC(C)C2)ccc1O ZINC000839068830 585089642 /nfs/dbraw/zinc/08/96/42/585089642.db2.gz RBSJYZVBEYFNRR-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN CCn1ncc(CN2CCCCCCCC2)n1 ZINC000839129468 585093819 /nfs/dbraw/zinc/09/38/19/585093819.db2.gz NVNUFVCWWQPKDV-UHFFFAOYSA-N 0 1 236.363 2.454 20 0 BEADMN CCOC(=O)CC(C)(C)CN1CC(C(F)F)C1 ZINC000839141523 585094520 /nfs/dbraw/zinc/09/45/20/585094520.db2.gz RNQMXQMLCAEOKF-UHFFFAOYSA-N 0 1 249.301 2.163 20 0 BEADMN CONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000839500891 585105944 /nfs/dbraw/zinc/10/59/44/585105944.db2.gz MVTOZCKYDOVURH-JTQLQIEISA-N 0 1 235.283 2.009 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cn2cccnc2=S)C1 ZINC000740859985 585107618 /nfs/dbraw/zinc/10/76/18/585107618.db2.gz NZYHYYRDGQKWRY-ZJUUUORDSA-N 0 1 223.345 2.300 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cn1c2ccccc2oc1=O ZINC000740860027 585107673 /nfs/dbraw/zinc/10/76/73/585107673.db2.gz OJSLCDALWWVIAS-WDEREUQCSA-N 0 1 246.310 2.282 20 0 BEADMN CCCOC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741015103 585109040 /nfs/dbraw/zinc/10/90/40/585109040.db2.gz WYUDEHBPASZBJR-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN C/C=C\COC(=O)[C@H](C)N1CCCCCC1 ZINC000741031333 585109308 /nfs/dbraw/zinc/10/93/08/585109308.db2.gz OXCCTQZDEYDLTP-MVZIDQBPSA-N 0 1 225.332 2.370 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@H](C)C[C@H]1C ZINC000741793767 585118823 /nfs/dbraw/zinc/11/88/23/585118823.db2.gz CCTGIOLLJUDKCO-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)[N@@H+](C[C@H](C)OC)C(C)C ZINC000741796723 585119372 /nfs/dbraw/zinc/11/93/72/585119372.db2.gz XFIGYHDVVPDUME-RYUDHWBXSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@H](C)N(C[C@H](C)OC)C(C)C ZINC000741796723 585119373 /nfs/dbraw/zinc/11/93/73/585119373.db2.gz XFIGYHDVVPDUME-RYUDHWBXSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@H](C)[N@@H+](C[C@@H](C)OC)C(C)C ZINC000741796721 585119417 /nfs/dbraw/zinc/11/94/17/585119417.db2.gz XFIGYHDVVPDUME-NEPJUHHUSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@H](C)N(C[C@@H](C)OC)C(C)C ZINC000741796721 585119418 /nfs/dbraw/zinc/11/94/18/585119418.db2.gz XFIGYHDVVPDUME-NEPJUHHUSA-N 0 1 245.363 2.073 20 0 BEADMN CCCOC(=O)[C@H](C)[N@@H+](CC)C1CCC1 ZINC000741797261 585119597 /nfs/dbraw/zinc/11/95/97/585119597.db2.gz PVKSKGYRGPVGCX-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)C1CCC1 ZINC000741797261 585119598 /nfs/dbraw/zinc/11/95/98/585119598.db2.gz PVKSKGYRGPVGCX-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)[C@H](CCO)NCc1coc(C2CC2)n1 ZINC000742381421 585125593 /nfs/dbraw/zinc/12/55/93/585125593.db2.gz ZCSUIJYANKIIDS-LBPRGKRZSA-N 0 1 238.331 2.049 20 0 BEADMN CC(=CC(=O)NCc1ncc[nH]1)C(C)(C)C ZINC000742663177 585129360 /nfs/dbraw/zinc/12/93/60/585129360.db2.gz PFJOPNULQLVVAV-VQHVLOKHSA-N 0 1 221.304 2.018 20 0 BEADMN CC(=CC(=O)NCc1ncc[nH]1)C(C)(C)C ZINC000742663175 585129375 /nfs/dbraw/zinc/12/93/75/585129375.db2.gz PFJOPNULQLVVAV-CLFYSBASSA-N 0 1 221.304 2.018 20 0 BEADMN C[C@H]1CCCN(Cn2cc[nH]c2=S)CC1 ZINC000743357154 585135627 /nfs/dbraw/zinc/13/56/27/585135627.db2.gz AEJJMHNGPPAGHQ-JTQLQIEISA-N 0 1 225.361 2.251 20 0 BEADMN CC(C)CN(C)Cn1ccc(C(F)(F)F)n1 ZINC000744152032 585144761 /nfs/dbraw/zinc/14/47/61/585144761.db2.gz WTMULLXJKDCFKF-UHFFFAOYSA-N 0 1 235.253 2.447 20 0 BEADMN Cc1nonc1CN1CC[C@H](CC(C)C)C1 ZINC000745986304 585162524 /nfs/dbraw/zinc/16/25/24/585162524.db2.gz FZHGWAANABKEBR-LLVKDONJSA-N 0 1 223.320 2.246 20 0 BEADMN CCN(Cn1ccsc1=O)[C@@H](C)C(C)C ZINC000746612980 585170655 /nfs/dbraw/zinc/17/06/55/585170655.db2.gz UHEQPALWBWFUAH-JTQLQIEISA-N 0 1 228.361 2.234 20 0 BEADMN CC1(C)CCCN1CC(=O)Nc1ccc(O)cc1 ZINC000747530305 585180192 /nfs/dbraw/zinc/18/01/92/585180192.db2.gz WRXHXAGFHGCAHX-UHFFFAOYSA-N 0 1 248.326 2.205 20 0 BEADMN CCCN(CC(=O)Nc1ccc(O)cc1)C1CC1 ZINC000747529937 585180231 /nfs/dbraw/zinc/18/02/31/585180231.db2.gz UMMQGUKLEVYBRM-UHFFFAOYSA-N 0 1 248.326 2.205 20 0 BEADMN C/C(=C/C(=O)N1CCNC(C)(C)C1)C(C)(C)C ZINC000747921172 585185874 /nfs/dbraw/zinc/18/58/74/585185874.db2.gz NBMSUGZHQPFBEO-LUAWRHEFSA-N 0 1 238.375 2.189 20 0 BEADMN CCCN(CC)CN1C(=O)C(C)(C)C1(C)C ZINC000749165013 585200227 /nfs/dbraw/zinc/20/02/27/585200227.db2.gz FTWFMRWUTUAEDB-UHFFFAOYSA-N 0 1 226.364 2.323 20 0 BEADMN O=C(CCCC1CCCCC1)Nc1c[nH]nn1 ZINC000789925855 585211072 /nfs/dbraw/zinc/21/10/72/585211072.db2.gz LLYBZVNJPJTJTR-UHFFFAOYSA-N 0 1 236.319 2.494 20 0 BEADMN Cc1c2ccccc2oc1C(=O)Nc1c[nH]nn1 ZINC000789926120 585212803 /nfs/dbraw/zinc/21/28/03/585212803.db2.gz ABJJDSIHEOVMND-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1ccc(N(C)C(=O)[C@H](C)N(C)C)cc1C ZINC000750609890 585217794 /nfs/dbraw/zinc/21/77/94/585217794.db2.gz UGTDNQNGZBYNEG-LBPRGKRZSA-N 0 1 234.343 2.216 20 0 BEADMN C[C@@H]1CCCN1CN1CC2(CCCC2)CC1=O ZINC000751933111 585239545 /nfs/dbraw/zinc/23/95/45/585239545.db2.gz HKMPEDYSQCKAID-GFCCVEGCSA-N 0 1 236.359 2.221 20 0 BEADMN CCC[C@@H](C)CCCN1CCOC[C@@H]1CCO ZINC000859217595 589020303 /nfs/dbraw/zinc/02/03/03/589020303.db2.gz RPYQAOQSHURETH-KGLIPLIRSA-N 0 1 243.391 2.286 20 0 BEADMN C[C@H](N(C)CN1CCSC1=O)C1(C)CC1 ZINC000753111961 585253774 /nfs/dbraw/zinc/25/37/74/585253774.db2.gz PZVFNOQVRGVSSP-VIFPVBQESA-N 0 1 228.361 2.233 20 0 BEADMN CCC(=O)CCN1CCOc2ccccc2C1 ZINC000753704360 585266787 /nfs/dbraw/zinc/26/67/87/585266787.db2.gz HPHZHHBBPWASLV-UHFFFAOYSA-N 0 1 233.311 2.250 20 0 BEADMN Cc1c(Cl)cnn1CN1C[C@@H](C)[C@H](C)C1 ZINC000753795735 585269305 /nfs/dbraw/zinc/26/93/05/585269305.db2.gz YTJUHYFOBBRQCY-RKDXNWHRSA-N 0 1 227.739 2.390 20 0 BEADMN CCN1CCN(C(=O)C=C2CCCC2)C[C@H]1C ZINC000754198239 585280215 /nfs/dbraw/zinc/28/02/15/585280215.db2.gz VBVDKGJUVRPYHQ-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C/C(Cl)=C\Cl)C[C@H]1C ZINC000754375071 585283551 /nfs/dbraw/zinc/28/35/51/585283551.db2.gz ZUYIEOLPOLWMOF-ZFZMKPAXSA-N 0 1 237.174 2.331 20 0 BEADMN CC1(C)CCN1C[C@H](O)c1ccc(F)cc1F ZINC000754656106 585288735 /nfs/dbraw/zinc/28/87/35/585288735.db2.gz DBAJSMAIVXWVNO-LBPRGKRZSA-N 0 1 241.281 2.483 20 0 BEADMN C/C=C/C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000754711974 585289741 /nfs/dbraw/zinc/28/97/41/585289741.db2.gz ORFZVMPDKCRAGO-KSOOHAFHSA-N 0 1 236.319 2.072 20 0 BEADMN CCc1nc(COC(=O)c2cccc(C)c2)n[nH]1 ZINC000754751062 585290474 /nfs/dbraw/zinc/29/04/74/585290474.db2.gz QJXTYYKFNOUHMJ-UHFFFAOYSA-N 0 1 245.282 2.033 20 0 BEADMN CCC/C(C)=C\C(=O)OCc1n[nH]c(CC)n1 ZINC000754790639 585291010 /nfs/dbraw/zinc/29/10/10/585291010.db2.gz GKZGGFGCKLTRKP-CLFYSBASSA-N 0 1 237.303 2.157 20 0 BEADMN OC[C@@H](C1CC1)N(CCF)Cc1ccccc1 ZINC000755042526 585293883 /nfs/dbraw/zinc/29/38/83/585293883.db2.gz ODDGLLHHJHBUMO-AWEZNQCLSA-N 0 1 237.318 2.229 20 0 BEADMN CC[C@@H]1CCN(CC(=O)OCc2ccccc2)C1 ZINC000755994521 585312212 /nfs/dbraw/zinc/31/22/12/585312212.db2.gz IBYHFWBOMUSRMS-CYBMUJFWSA-N 0 1 247.338 2.462 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H]2C2CC2)n1 ZINC000756507625 585320423 /nfs/dbraw/zinc/32/04/23/585320423.db2.gz FMRVHOYBCLMKPP-GFCCVEGCSA-N 0 1 217.316 2.159 20 0 BEADMN CCC(N)=NOCCCOC(C)(C)C ZINC000756859928 585324604 /nfs/dbraw/zinc/32/46/04/585324604.db2.gz HAZUIHGBMNDZLC-UHFFFAOYSA-N 0 1 202.298 2.100 20 0 BEADMN C[C@H](NCCCCCCCO)c1csnn1 ZINC000839661498 585334009 /nfs/dbraw/zinc/33/40/09/585334009.db2.gz CRPNTOFWAPZUBU-JTQLQIEISA-N 0 1 243.376 2.132 20 0 BEADMN COC(=O)[C@@]1(C)CCCN(C/C=C\Cl)C1 ZINC000839665010 585334781 /nfs/dbraw/zinc/33/47/81/585334781.db2.gz FSEHVBVSNDUTES-QZPNVGJNSA-N 0 1 231.723 2.014 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000839680744 585337210 /nfs/dbraw/zinc/33/72/10/585337210.db2.gz NDGASUWDWQWSBE-CYBMUJFWSA-N 0 1 231.343 2.407 20 0 BEADMN O[C@@H](C[C@@H]1CCCN1CCF)c1ccco1 ZINC000759370100 585371594 /nfs/dbraw/zinc/37/15/94/585371594.db2.gz CPXVZBZROFADAR-QWRGUYRKSA-N 0 1 227.279 2.137 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)C1=COCC1 ZINC000759712572 585379206 /nfs/dbraw/zinc/37/92/06/585379206.db2.gz ADDLAMJDRQDCPP-UHFFFAOYSA-N 0 1 239.658 2.288 20 0 BEADMN Cc1nonc1CNC[C@H]1C(C)=CCC[C@H]1C ZINC000809744720 585387464 /nfs/dbraw/zinc/38/74/64/585387464.db2.gz ZJRSCYXOLXEUNB-PWSUYJOCSA-N 0 1 235.331 2.460 20 0 BEADMN CCc1cc(CNCc2ccc(CC)o2)[nH]n1 ZINC000760674068 585395293 /nfs/dbraw/zinc/39/52/93/585395293.db2.gz ABVSQDNFRAGYEH-UHFFFAOYSA-N 0 1 233.315 2.417 20 0 BEADMN CC(C)CC1CCN(CC(=O)NC2CC2)CC1 ZINC000760925303 585402055 /nfs/dbraw/zinc/40/20/55/585402055.db2.gz JDPJTOVKVQLHAD-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C ZINC000761079911 585406789 /nfs/dbraw/zinc/40/67/89/585406789.db2.gz RSXOBHIJZRCUBL-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN O[C@H](CN1CC[C@H]2C[C@H]21)c1ccc(F)c(F)c1 ZINC000761085551 585407369 /nfs/dbraw/zinc/40/73/69/585407369.db2.gz NATDTQONZOVIOM-ZEGGKSINSA-N 0 1 239.265 2.092 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H]2C[C@@H]21 ZINC000761101859 585409502 /nfs/dbraw/zinc/40/95/02/585409502.db2.gz ZOJJKEKHFAWHKP-WZRBSPASSA-N 0 1 230.311 2.108 20 0 BEADMN C[C@H](C(=O)Nc1ccccc1)N1CC[C@H]2C[C@H]21 ZINC000761101856 585409562 /nfs/dbraw/zinc/40/95/62/585409562.db2.gz ZOJJKEKHFAWHKP-NTZNESFSSA-N 0 1 230.311 2.108 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)CC2(C)C)n1 ZINC000761887090 585422379 /nfs/dbraw/zinc/42/23/79/585422379.db2.gz KIPBJPDKZSZKKS-VIFPVBQESA-N 0 1 235.331 2.111 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)CC2(C)C)n1 ZINC000761887090 585422380 /nfs/dbraw/zinc/42/23/80/585422380.db2.gz KIPBJPDKZSZKKS-VIFPVBQESA-N 0 1 235.331 2.111 20 0 BEADMN CCc1cc(CNc2nc(C)nc(C)c2C)n[nH]1 ZINC000761898986 585422423 /nfs/dbraw/zinc/42/24/23/585422423.db2.gz SNMUUCTUOOTLFN-UHFFFAOYSA-N 0 1 245.330 2.299 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1CN1CCSC1=O ZINC000762141172 585427719 /nfs/dbraw/zinc/42/77/19/585427719.db2.gz IUYFTNFBQJRLLI-SNVBAGLBSA-N 0 1 240.372 2.377 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H](C2CC2)CC1=O ZINC000762489007 585433215 /nfs/dbraw/zinc/43/32/15/585433215.db2.gz XZYQAWNFDXRLBJ-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN CCN(CN1C[C@@H](C2CC2)CC1=O)C1CCC1 ZINC000762498217 585433376 /nfs/dbraw/zinc/43/33/76/585433376.db2.gz YCNSPNOFUILOMW-LBPRGKRZSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763676075 585452396 /nfs/dbraw/zinc/45/23/96/585452396.db2.gz PSPXWAHKWQAYQS-MNOVXSKESA-N 0 1 249.310 2.368 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676080 585452490 /nfs/dbraw/zinc/45/24/90/585452490.db2.gz PSPXWAHKWQAYQS-WDEREUQCSA-N 0 1 249.310 2.368 20 0 BEADMN C[C@H](C(=O)OCC1CC1)N1[C@H](C)CC[C@H]1C ZINC000763983509 585458210 /nfs/dbraw/zinc/45/82/10/585458210.db2.gz WWRQBASUSUJYPH-GMTAPVOTSA-N 0 1 225.332 2.201 20 0 BEADMN CC[C@@H](C(=O)O[C@H](C)C1CC1)N(CC)CC ZINC000764383888 585464355 /nfs/dbraw/zinc/46/43/55/585464355.db2.gz WDSBQJNJAINOIW-PWSUYJOCSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000764488543 585466597 /nfs/dbraw/zinc/46/65/97/585466597.db2.gz VTMXHWYRWGJNBU-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccc(Cl)c(N2CCCN(C)CC2)n1 ZINC000765001235 585479191 /nfs/dbraw/zinc/47/91/91/585479191.db2.gz RUKKRYLVLDFSMB-UHFFFAOYSA-N 0 1 239.750 2.185 20 0 BEADMN CC/C=C(\C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000765939846 585494027 /nfs/dbraw/zinc/49/40/27/585494027.db2.gz JXUCHPQFLGBHCA-DPGNGVPNSA-N 0 1 238.375 2.284 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C=C2CCC2)C[C@@H]1C ZINC000765929383 585494044 /nfs/dbraw/zinc/49/40/44/585494044.db2.gz LWLZAWSOXPCGLK-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H](C(=O)OCC[C@@H](C)OC)N(CC)CC ZINC000765962956 585494496 /nfs/dbraw/zinc/49/44/96/585494496.db2.gz HMAPZZURGFINHR-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H](C(=O)OCC[C@H](C)OC)N(CC)CC ZINC000765962954 585494598 /nfs/dbraw/zinc/49/45/98/585494598.db2.gz HMAPZZURGFINHR-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@@H]1CCN(Cn2ccc(-c3nccs3)n2)C1 ZINC000766069326 585497210 /nfs/dbraw/zinc/49/72/10/585497210.db2.gz MDVQXKMJNNPZGU-SNVBAGLBSA-N 0 1 248.355 2.306 20 0 BEADMN C[C@H]1CCCN1Cn1ccc(-c2nccs2)n1 ZINC000766093800 585497546 /nfs/dbraw/zinc/49/75/46/585497546.db2.gz JMFQRUXDCFCJSF-JTQLQIEISA-N 0 1 248.355 2.448 20 0 BEADMN C[C@H](C(=O)OCCCF)N1[C@H](C)CC[C@H]1C ZINC000767348703 585516909 /nfs/dbraw/zinc/51/69/09/585516909.db2.gz HLJQHDNZYGICJV-GMTAPVOTSA-N 0 1 231.311 2.151 20 0 BEADMN C[C@@H](C(=O)OCCCF)N1CCCCCC1 ZINC000767348803 585517079 /nfs/dbraw/zinc/51/70/79/585517079.db2.gz IEFQFFRLFYQAFE-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN CCN(CCC(=O)C1CC1)Cc1ccoc1 ZINC000767371723 585518056 /nfs/dbraw/zinc/51/80/56/585518056.db2.gz ZDXGWAAYTUREQA-UHFFFAOYSA-N 0 1 221.300 2.471 20 0 BEADMN O=C(CCN1CCc2ccc(O)cc2C1)C1CC1 ZINC000767430099 585519943 /nfs/dbraw/zinc/51/99/43/585519943.db2.gz OYXHWHQLNHIBGF-UHFFFAOYSA-N 0 1 245.322 2.120 20 0 BEADMN C[C@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000300751142 585527020 /nfs/dbraw/zinc/52/70/20/585527020.db2.gz LDWKBIYPTZRSRK-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN CC[N@@H+](CC(=O)NC)Cc1cc(C)c(C)cc1C ZINC000768300778 585535343 /nfs/dbraw/zinc/53/53/43/585535343.db2.gz DHNKHKSQKKQMEU-UHFFFAOYSA-N 0 1 248.370 2.180 20 0 BEADMN CCN(CC(=O)NC)Cc1cc(C)c(C)cc1C ZINC000768300778 585535344 /nfs/dbraw/zinc/53/53/44/585535344.db2.gz DHNKHKSQKKQMEU-UHFFFAOYSA-N 0 1 248.370 2.180 20 0 BEADMN Cc1nnc([C@H]2CCCN(Cc3ccoc3)C2)o1 ZINC000769239564 585551620 /nfs/dbraw/zinc/55/16/20/585551620.db2.gz OVSDAHYYJZWDEV-LBPRGKRZSA-N 0 1 247.298 2.351 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)cnc1Cl ZINC000769332270 585553984 /nfs/dbraw/zinc/55/39/84/585553984.db2.gz ZUVBEUXSRZPSBX-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](F)c2ccccc2)n[nH]1 ZINC000769578881 585559951 /nfs/dbraw/zinc/55/99/51/585559951.db2.gz OWGVCINJIVKOHT-LBPRGKRZSA-N 0 1 247.273 2.045 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2cc(C)oc2C)C[C@@H]1O ZINC000770377757 585573301 /nfs/dbraw/zinc/57/33/01/585573301.db2.gz DBBHGCYJBHGENI-AAEUAGOBSA-N 0 1 223.316 2.099 20 0 BEADMN C/C=C\COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770574606 585576982 /nfs/dbraw/zinc/57/69/82/585576982.db2.gz OQLADSLSZRGJLX-IHWYPQMZSA-N 0 1 243.266 2.205 20 0 BEADMN Cc1nc(COC(=O)CCCC(C)(C)C)n[nH]1 ZINC000770643771 585578939 /nfs/dbraw/zinc/57/89/39/585578939.db2.gz IDOZPEHPFLVQQW-UHFFFAOYSA-N 0 1 239.319 2.373 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCc1n[nH]c(C)n1 ZINC000770644632 585578974 /nfs/dbraw/zinc/57/89/74/585578974.db2.gz WDRNHLDKDYURGD-SNVBAGLBSA-N 0 1 239.319 2.373 20 0 BEADMN CCC(CC)(CC)C(=O)OCc1n[nH]c(C)n1 ZINC000770644891 585579093 /nfs/dbraw/zinc/57/90/93/585579093.db2.gz ZQYLWTONOWZOHI-UHFFFAOYSA-N 0 1 239.319 2.373 20 0 BEADMN Cc1ccncc1[C@@H](C)NCc1cncnc1 ZINC000770746578 585581193 /nfs/dbraw/zinc/58/11/93/585581193.db2.gz NJKJRJWOZDVWGZ-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN CCCC(=CC(=O)NCCN1CCC1)CCC ZINC000770827114 585582437 /nfs/dbraw/zinc/58/24/37/585582437.db2.gz XVWWWEGNZIQCEG-UHFFFAOYSA-N 0 1 238.375 2.335 20 0 BEADMN C[C@@H]1[C@@H](C)N(C/C(Cl)=C\Cl)CCN1C ZINC000771461209 585594852 /nfs/dbraw/zinc/59/48/52/585594852.db2.gz RZRHTPASCPTPCG-BBYBQBAKSA-N 0 1 237.174 2.330 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000771944397 585605099 /nfs/dbraw/zinc/60/50/99/585605099.db2.gz WEMCMKLWTVDDFW-ZKQHCESOSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@H](N[C@H](CO)C1CC1)c1c(F)cccc1F ZINC000773007484 585629586 /nfs/dbraw/zinc/62/95/86/585629586.db2.gz GOWXNCXFVHMUPW-QPUJVOFHSA-N 0 1 241.281 2.386 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000773240127 585634170 /nfs/dbraw/zinc/63/41/70/585634170.db2.gz INKOSEKDLARHOH-PKNBQFBNSA-N 0 1 238.375 2.189 20 0 BEADMN CSCCOC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000773521225 585639302 /nfs/dbraw/zinc/63/93/02/585639302.db2.gz FXSKGKHKRWCOCL-MXWKQRLJSA-N 0 1 245.388 2.154 20 0 BEADMN Cc1ccc(CCN2CC(O)(C(C)C)C2)cc1 ZINC000773894835 585645942 /nfs/dbraw/zinc/64/59/42/585645942.db2.gz BNHIPKDPUXHJIG-UHFFFAOYSA-N 0 1 233.355 2.240 20 0 BEADMN CC/C=C\COC(=O)CCCCc1cn[nH]n1 ZINC000774051044 585649176 /nfs/dbraw/zinc/64/91/76/585649176.db2.gz DJOPISMKISTEML-UTCJRWHESA-N 0 1 237.303 2.027 20 0 BEADMN C[C@H](NCc1ccc(O)c(F)c1)c1ccnn1C ZINC000774199865 585653686 /nfs/dbraw/zinc/65/36/86/585653686.db2.gz GOQSHOXCIVLMDF-VIFPVBQESA-N 0 1 249.289 2.116 20 0 BEADMN CCc1cc(CNc2nc3ccccc3[nH]2)n[nH]1 ZINC000774530851 585660869 /nfs/dbraw/zinc/66/08/69/585660869.db2.gz WYYWZOACGAQMQW-UHFFFAOYSA-N 0 1 241.298 2.461 20 0 BEADMN CCCC(N)=NOCCc1c(C)noc1C ZINC000774762042 585665369 /nfs/dbraw/zinc/66/53/69/585665369.db2.gz PJNCRTNUTWHJPK-UHFFFAOYSA-N 0 1 225.292 2.133 20 0 BEADMN CC(C)[C@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000775058082 585671273 /nfs/dbraw/zinc/67/12/73/585671273.db2.gz SQXSKMZELWQSSD-QWHCGFSZSA-N 0 1 225.332 2.036 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CCCC[C@H](C)C2)n1 ZINC000775729471 585683917 /nfs/dbraw/zinc/68/39/17/585683917.db2.gz MIROKAWCZWLOLX-JTQLQIEISA-N 0 1 235.331 2.113 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@H](C)C2)n1 ZINC000775729471 585683918 /nfs/dbraw/zinc/68/39/18/585683918.db2.gz MIROKAWCZWLOLX-JTQLQIEISA-N 0 1 235.331 2.113 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)n[nH]1 ZINC000775847522 585686236 /nfs/dbraw/zinc/68/62/36/585686236.db2.gz DZZMYQODYWBAFT-GXTWGEPZSA-N 0 1 249.358 2.271 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000776476971 585699317 /nfs/dbraw/zinc/69/93/17/585699317.db2.gz QPEPJWPWDMLBJP-NXEZZACHSA-N 0 1 235.331 2.025 20 0 BEADMN CC[C@H]1CCCN1CC(=O)OCC(C)C ZINC000776582066 585701255 /nfs/dbraw/zinc/70/12/55/585701255.db2.gz PCKARPQJJHMJCR-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN c1cc([C@H]2CCCN2Cn2cnnc2)cs1 ZINC000776757300 585704300 /nfs/dbraw/zinc/70/43/00/585704300.db2.gz MYXVAUXYSCYECE-LLVKDONJSA-N 0 1 234.328 2.134 20 0 BEADMN CCN(Cc1ccc(C)cc1)Cn1cnnc1 ZINC000776757724 585704325 /nfs/dbraw/zinc/70/43/25/585704325.db2.gz XIXZTXABNWXCJQ-UHFFFAOYSA-N 0 1 230.315 2.066 20 0 BEADMN CC[C@@H](NCCOC1CCC1)c1nccn1C ZINC000777121653 585708848 /nfs/dbraw/zinc/70/88/48/585708848.db2.gz OXTYWBLFRRPQMS-GFCCVEGCSA-N 0 1 237.347 2.030 20 0 BEADMN C[C@]1(O)CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596503 585716389 /nfs/dbraw/zinc/71/63/89/585716389.db2.gz QXNWGMMOGXGUKP-ZDUSSCGKSA-N 0 1 223.291 2.113 20 0 BEADMN Cc1ccc(CNCc2ccc(F)nc2)cn1 ZINC000778158282 585726625 /nfs/dbraw/zinc/72/66/25/585726625.db2.gz KSPUDERMMPRVGG-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN OCCCCCCN1CCC[C@H]1c1ncc[nH]1 ZINC000778229213 585728170 /nfs/dbraw/zinc/72/81/70/585728170.db2.gz XRQYZXKXCPIFAM-LBPRGKRZSA-N 0 1 237.347 2.099 20 0 BEADMN C[C@@H]1CCN(CCC(=O)C2CC2)C[C@@H]1F ZINC000778231977 585728498 /nfs/dbraw/zinc/72/84/98/585728498.db2.gz DNIBQEUFTFHIBY-KOLCDFICSA-N 0 1 213.296 2.036 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000778808770 585741042 /nfs/dbraw/zinc/74/10/42/585741042.db2.gz XUDJOBWODMVIKV-LLVKDONJSA-N 0 1 247.342 2.335 20 0 BEADMN c1cn(-c2ccc(CN3CC=CCC3)cn2)cn1 ZINC000778969088 585743331 /nfs/dbraw/zinc/74/33/31/585743331.db2.gz GHZKDMWWGBUKTN-UHFFFAOYSA-N 0 1 240.310 2.029 20 0 BEADMN CN(CCOC(C)(C)C)Cc1ccc(F)nc1 ZINC000779162187 585746194 /nfs/dbraw/zinc/74/61/94/585746194.db2.gz WVMKWJXPBCTNDO-UHFFFAOYSA-N 0 1 240.322 2.468 20 0 BEADMN CC(C)c1cnc(CNC(C)(C)C(C)(C)O)o1 ZINC000780309673 585777652 /nfs/dbraw/zinc/77/76/52/585777652.db2.gz ODTYSFSNRUAAMS-UHFFFAOYSA-N 0 1 240.347 2.437 20 0 BEADMN FCCN1CC[C@@H](COc2ccccc2)C1 ZINC000780369503 585778424 /nfs/dbraw/zinc/77/84/24/585778424.db2.gz RHMNTNZLJOYFII-GFCCVEGCSA-N 0 1 223.291 2.357 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)[C@H](C)CC)n[nH]1 ZINC000780507897 585779828 /nfs/dbraw/zinc/77/98/28/585779828.db2.gz HAYLKUHPAGMFRM-NXEZZACHSA-N 0 1 237.347 2.271 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C(C)C)CC1 ZINC000780883251 585785747 /nfs/dbraw/zinc/78/57/47/585785747.db2.gz RWNGKIDDPDHPJA-SEYXRHQNSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000780951255 585787005 /nfs/dbraw/zinc/78/70/05/585787005.db2.gz RDFAZMKFMBNJFT-ZWRVYWDGSA-N 0 1 238.375 2.332 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000780995420 585788156 /nfs/dbraw/zinc/78/81/56/585788156.db2.gz NYRWUVPAPGIYRN-NPRUJURCSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000780995423 585788172 /nfs/dbraw/zinc/78/81/72/585788172.db2.gz NYRWUVPAPGIYRN-RVROTUBLSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000781008201 585788333 /nfs/dbraw/zinc/78/83/33/585788333.db2.gz MXLRTGVRMVWRCU-QVMLAVDMSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000781013001 585788663 /nfs/dbraw/zinc/78/86/63/585788663.db2.gz ILEFPEFUXVMULR-NQYVGZPUSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1cc(C(=O)OCCN2CCCCC2)co1 ZINC000781378628 585795241 /nfs/dbraw/zinc/79/52/41/585795241.db2.gz ZWHCVQKWPHKGHO-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN COC(CN1Cc2ccccc2[C@@H]1C)OC ZINC000781900289 585804990 /nfs/dbraw/zinc/80/49/90/585804990.db2.gz YUGJUGGSERNICE-JTQLQIEISA-N 0 1 221.300 2.182 20 0 BEADMN CCCC[C@@H](C)N(C)CCS(=O)(=O)C(C)C ZINC000782191397 585811752 /nfs/dbraw/zinc/81/17/52/585811752.db2.gz QXHCLBKHYWFNTR-GFCCVEGCSA-N 0 1 249.420 2.320 20 0 BEADMN C[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C ZINC000782524056 585819741 /nfs/dbraw/zinc/81/97/41/585819741.db2.gz HNVORMMADIFUMB-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN Cc1oncc1CN1CC[C@H](C(F)F)C1 ZINC000782525526 585819770 /nfs/dbraw/zinc/81/97/70/585819770.db2.gz WLDXPGQXWCZDFH-QMMMGPOBSA-N 0 1 216.231 2.070 20 0 BEADMN Cc1oncc1CN1CCC(c2c[nH]cn2)CC1 ZINC000782515529 585819778 /nfs/dbraw/zinc/81/97/78/585819778.db2.gz FIVXDURFMCDLAX-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN COC(=O)/C(C)=C\CN[C@@H](C)c1cnccc1C ZINC000783000207 585826927 /nfs/dbraw/zinc/82/69/27/585826927.db2.gz SMZQNXMRJGBVFS-DSDFTUOUSA-N 0 1 248.326 2.160 20 0 BEADMN COc1nc(C)cc(C)c1CN1CC[C@H]2C[C@H]21 ZINC000805746579 585835685 /nfs/dbraw/zinc/83/56/85/585835685.db2.gz BDRHOWQZQKFKLS-WCQYABFASA-N 0 1 232.327 2.301 20 0 BEADMN C[C@@H](C(=O)N1CCCC2(CCCC2)C1)N(C)C ZINC000783844557 585844518 /nfs/dbraw/zinc/84/45/18/585844518.db2.gz BNRLOLPMOPFNFT-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OC/C=C\Cl ZINC000785736408 585879278 /nfs/dbraw/zinc/87/92/78/585879278.db2.gz QIYKGVONORRYTH-KJJJKSGUSA-N 0 1 231.723 2.155 20 0 BEADMN CC(C)CCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785744079 585879283 /nfs/dbraw/zinc/87/92/83/585879283.db2.gz NOIYVTSWXBNJKF-VXGBXAGGSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OC/C=C/Cl ZINC000785736712 585879288 /nfs/dbraw/zinc/87/92/88/585879288.db2.gz QIYKGVONORRYTH-KJMWJQJQSA-N 0 1 231.723 2.155 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OC1CCCC1 ZINC000785739296 585879325 /nfs/dbraw/zinc/87/93/25/585879325.db2.gz AIAXYKMRDDLGQE-PHIMTYICSA-N 0 1 225.332 2.345 20 0 BEADMN CC(C)S(=O)(=O)CCN(C)C1(C)CCCC1 ZINC000786216562 585888815 /nfs/dbraw/zinc/88/88/15/585888815.db2.gz BFVNNOYKJWONIS-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OCC(F)F ZINC000786344359 585890170 /nfs/dbraw/zinc/89/01/70/585890170.db2.gz NWCBCINISICXHQ-UHFFFAOYSA-N 0 1 232.230 2.263 20 0 BEADMN CC[C@@H](C(=O)O[C@H](C)C(F)F)N(CC)CC ZINC000786507689 585893100 /nfs/dbraw/zinc/89/31/00/585893100.db2.gz OQBKBCGBMZAVJN-BDAKNGLRSA-N 0 1 237.290 2.304 20 0 BEADMN C/C=C(\CC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000788945591 585932171 /nfs/dbraw/zinc/93/21/71/585932171.db2.gz BATAURCXNUABFI-LOTJYQEQSA-N 0 1 238.375 2.284 20 0 BEADMN CC(C)[C@@H](C(=O)OCc1ccccc1)N(C)C ZINC000789802177 585950420 /nfs/dbraw/zinc/95/04/20/585950420.db2.gz VNEUIZLVPKTQKA-ZDUSSCGKSA-N 0 1 235.327 2.316 20 0 BEADMN CC(C)[C@H](C(=O)OCC(C)(C)C)N(C)C ZINC000789802869 585950482 /nfs/dbraw/zinc/95/04/82/585950482.db2.gz OOTSETWHCUDQFP-SNVBAGLBSA-N 0 1 215.337 2.162 20 0 BEADMN Cc1occc1COC(=O)[C@@H](C(C)C)N(C)C ZINC000789802599 585950577 /nfs/dbraw/zinc/95/05/77/585950577.db2.gz FQEODDNRXYTCIV-GFCCVEGCSA-N 0 1 239.315 2.217 20 0 BEADMN Cc1ccc(C(C)(C)C(=O)Nc2c[nH]nn2)cc1 ZINC000789929499 585954228 /nfs/dbraw/zinc/95/42/28/585954228.db2.gz ZFBRDPKDLAPLBQ-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CC[C@@H](C(=O)OCC1(C)CC1)N(CC)CC ZINC000790806630 585969031 /nfs/dbraw/zinc/96/90/31/585969031.db2.gz WIHXSLVCDAEQCU-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)[C@@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000790930838 585970864 /nfs/dbraw/zinc/97/08/64/585970864.db2.gz JIBDTNRDEIIYJJ-OLZOCXBDSA-N 0 1 239.359 2.426 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791052510 585972946 /nfs/dbraw/zinc/97/29/46/585972946.db2.gz WLBYLDPVZICCAG-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1cccc(F)c1 ZINC000791577878 585984630 /nfs/dbraw/zinc/98/46/30/585984630.db2.gz OZSSCDARAWZNMI-BREBYQMCSA-N 0 1 223.291 2.342 20 0 BEADMN C/C=C/COC(=O)c1ccc2cncn2c1 ZINC000792548464 586002413 /nfs/dbraw/zinc/00/24/13/586002413.db2.gz BUIFIGPDSVVMDR-NSCUHMNNSA-N 0 1 216.240 2.067 20 0 BEADMN CC(=O)c1cc(F)cc(F)c1OCCN(C)C ZINC000792665114 586003760 /nfs/dbraw/zinc/00/37/60/586003760.db2.gz RJLPXKMGPNTLNV-UHFFFAOYSA-N 0 1 243.253 2.108 20 0 BEADMN CC1(COC(=O)c2ccc3cncn3c2)CC1 ZINC000793302862 586016454 /nfs/dbraw/zinc/01/64/54/586016454.db2.gz IBUHRBAZICTBCU-UHFFFAOYSA-N 0 1 230.267 2.291 20 0 BEADMN Cn1ccc(CN2CCC(F)(F)CC2)c1 ZINC000793351278 586017150 /nfs/dbraw/zinc/01/71/50/586017150.db2.gz FRLPNBCTBBJXFZ-UHFFFAOYSA-N 0 1 214.259 2.256 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C)c2ccc[nH]2)n(C)n1 ZINC000793545854 586022486 /nfs/dbraw/zinc/02/24/86/586022486.db2.gz DDRZWTLEJRSNOI-GHMZBOCLSA-N 0 1 232.331 2.468 20 0 BEADMN CCN(CC1CCC1)CN1CCSC1=O ZINC000794683745 586046543 /nfs/dbraw/zinc/04/65/43/586046543.db2.gz RIKPDOHORYHDTM-UHFFFAOYSA-N 0 1 228.361 2.235 20 0 BEADMN CC[C@H](C)CONC(=O)Cc1ccc(C)o1 ZINC000794875496 586052783 /nfs/dbraw/zinc/05/27/83/586052783.db2.gz MVLGMQSEMGTQFF-VIFPVBQESA-N 0 1 225.288 2.224 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC(C)=C(C)C2)C1 ZINC000794878152 586053130 /nfs/dbraw/zinc/05/31/30/586053130.db2.gz ARRWHRBRZDNJBK-CYBMUJFWSA-N 0 1 236.359 2.245 20 0 BEADMN Fc1ccccc1C1(F)CN(Cc2cnc[nH]2)C1 ZINC000794925894 586055314 /nfs/dbraw/zinc/05/53/14/586055314.db2.gz AJLDTWVJZIRUIM-UHFFFAOYSA-N 0 1 249.264 2.229 20 0 BEADMN CC1=CCCN(Cc2ccnc(F)c2)C1 ZINC000859291053 589028257 /nfs/dbraw/zinc/02/82/57/589028257.db2.gz QTJUQGILEZXWPE-UHFFFAOYSA-N 0 1 206.264 2.373 20 0 BEADMN Cc1ccc(C(=O)OCc2nc(C(C)C)n[nH]2)o1 ZINC000795240567 586073005 /nfs/dbraw/zinc/07/30/05/586073005.db2.gz NAQGSNFZPIFAJC-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1ccc(C(=O)OCc2n[nH]c(C(C)C)n2)o1 ZINC000795240567 586073008 /nfs/dbraw/zinc/07/30/08/586073008.db2.gz NAQGSNFZPIFAJC-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2CC=CCC2)n1 ZINC000795273550 586073959 /nfs/dbraw/zinc/07/39/59/586073959.db2.gz SBXRUEAVXUBOLE-JTQLQIEISA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000795273550 586073961 /nfs/dbraw/zinc/07/39/61/586073961.db2.gz SBXRUEAVXUBOLE-JTQLQIEISA-N 0 1 249.314 2.328 20 0 BEADMN CC[C@@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795266819 586074036 /nfs/dbraw/zinc/07/40/36/586074036.db2.gz ABNFGCBFFQKYQB-MRVPVSSYSA-N 0 1 225.292 2.017 20 0 BEADMN CC[C@@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795266819 586074037 /nfs/dbraw/zinc/07/40/37/586074037.db2.gz ABNFGCBFFQKYQB-MRVPVSSYSA-N 0 1 225.292 2.017 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@H](C(F)F)CC1=O ZINC000795421867 586077684 /nfs/dbraw/zinc/07/76/84/586077684.db2.gz FFLWMKGZNNUZNS-NXEZZACHSA-N 0 1 248.317 2.035 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@@H](C(F)F)CC1=O ZINC000795421869 586077740 /nfs/dbraw/zinc/07/77/40/586077740.db2.gz FFLWMKGZNNUZNS-UWVGGRQHSA-N 0 1 248.317 2.035 20 0 BEADMN Cc1nc(COC(=O)c2c(C)cccc2C)n[nH]1 ZINC000795414742 586078000 /nfs/dbraw/zinc/07/80/00/586078000.db2.gz DAGZVKPQAPUJQU-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)CCC2CC2)n1 ZINC000795414159 586078017 /nfs/dbraw/zinc/07/80/17/586078017.db2.gz OELVOTJGVXASNJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)CCC2CC2)n[nH]1 ZINC000795414159 586078019 /nfs/dbraw/zinc/07/80/19/586078019.db2.gz OELVOTJGVXASNJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2(C)CCC2)n1 ZINC000795456641 586079844 /nfs/dbraw/zinc/07/98/44/586079844.db2.gz JLBALZPIRDTRNJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)C2(C)CCC2)n[nH]1 ZINC000795456641 586079845 /nfs/dbraw/zinc/07/98/45/586079845.db2.gz JLBALZPIRDTRNJ-UHFFFAOYSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@H]2C[C@@H]2C2CC2)n1 ZINC000795455965 586080193 /nfs/dbraw/zinc/08/01/93/586080193.db2.gz GXAJXJAYNVMRRA-ZJUUUORDSA-N 0 1 249.314 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000795455965 586080194 /nfs/dbraw/zinc/08/01/94/586080194.db2.gz GXAJXJAYNVMRRA-ZJUUUORDSA-N 0 1 249.314 2.017 20 0 BEADMN CC[C@@H](C)CN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795649649 586090094 /nfs/dbraw/zinc/09/00/94/586090094.db2.gz CQTDIFKSFRZSOI-NXEZZACHSA-N 0 1 213.321 2.058 20 0 BEADMN CCCCCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795661391 586090315 /nfs/dbraw/zinc/09/03/15/586090315.db2.gz QMEQVBZPTUXCBH-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CC/C=C\CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000795686745 586091270 /nfs/dbraw/zinc/09/12/70/586091270.db2.gz ZVFGVZSSZBATJU-ZADCQDASSA-N 0 1 225.332 2.369 20 0 BEADMN S=c1[nH]ccn1CN1CCC2(CCC2)CC1 ZINC000795713361 586091608 /nfs/dbraw/zinc/09/16/08/586091608.db2.gz HYLNNHFMKNSLGW-UHFFFAOYSA-N 0 1 237.372 2.395 20 0 BEADMN CCC[C@@](C)(CC)C(=O)OCCc1c[nH]nn1 ZINC000796728330 586110872 /nfs/dbraw/zinc/11/08/72/586110872.db2.gz UFJHBOCGYFINSF-GFCCVEGCSA-N 0 1 239.319 2.107 20 0 BEADMN CCC[C@@](C)(CC)C(=O)OCCc1cnn[nH]1 ZINC000796728330 586110873 /nfs/dbraw/zinc/11/08/73/586110873.db2.gz UFJHBOCGYFINSF-GFCCVEGCSA-N 0 1 239.319 2.107 20 0 BEADMN C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1ncc[nH]1 ZINC000796798734 586113269 /nfs/dbraw/zinc/11/32/69/586113269.db2.gz QOZBQOYWZTYVCR-GMTAPVOTSA-N 0 1 249.314 2.166 20 0 BEADMN CCc1nc(COC(=O)CC[C@@H](C)CC)n[nH]1 ZINC000797267944 586124794 /nfs/dbraw/zinc/12/47/94/586124794.db2.gz IZXTZKJOWRQEMW-VIFPVBQESA-N 0 1 239.319 2.237 20 0 BEADMN CC/C(C)=C(\C)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000797757927 586130804 /nfs/dbraw/zinc/13/08/04/586130804.db2.gz LTFXVRZHWRQSKL-MDZDMXLPSA-N 0 1 248.330 2.047 20 0 BEADMN O=C(NC[C@@H]1CCC(F)(F)C1)C(F)(F)F ZINC000797767658 586131017 /nfs/dbraw/zinc/13/10/17/586131017.db2.gz BPHDNMAKHUKKMW-RXMQYKEDSA-N 0 1 231.164 2.100 20 0 BEADMN C[S@@](=O)CCN(Cc1ccccc1)C1CC1 ZINC000798192891 586139037 /nfs/dbraw/zinc/13/90/37/586139037.db2.gz GHXLUCHAADPVHG-MRXNPFEDSA-N 0 1 237.368 2.030 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC[S@](C)=O)cc1 ZINC000798193603 586139482 /nfs/dbraw/zinc/13/94/82/586139482.db2.gz MLGQMYYEHHKPGY-WBMJQRKESA-N 0 1 239.384 2.366 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H](C)C1CCC1)N(C)C ZINC000798838902 586150302 /nfs/dbraw/zinc/15/03/02/586150302.db2.gz UAAUDBJSRREUCD-CMPLNLGQSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CCCC1)N(C)C ZINC000798818220 586150406 /nfs/dbraw/zinc/15/04/06/586150406.db2.gz MYWOQCXYTWLROM-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)[C@@H](C(=O)OCCC(F)(F)F)N(C)C ZINC000798848289 586150497 /nfs/dbraw/zinc/15/04/97/586150497.db2.gz RWACLDPSFDANTP-QMMMGPOBSA-N 0 1 241.253 2.068 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1CC=CCC1)N(C)C ZINC000798824311 586150611 /nfs/dbraw/zinc/15/06/11/586150611.db2.gz GLIJHPDDESYQLD-CHWSQXEVSA-N 0 1 239.359 2.472 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1CCCS1)N(C)C ZINC000798837911 586151079 /nfs/dbraw/zinc/15/10/79/586151079.db2.gz ZVQQSTDTOKBHQY-WDEREUQCSA-N 0 1 245.388 2.011 20 0 BEADMN CC(C)=CCOC(=O)[C@H](C(C)C)N(C)C ZINC000798847127 586151212 /nfs/dbraw/zinc/15/12/12/586151212.db2.gz HNHFSGXXPIHWLS-NSHDSACASA-N 0 1 213.321 2.082 20 0 BEADMN CSC(C)(C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798847057 586151235 /nfs/dbraw/zinc/15/12/35/586151235.db2.gz FSRSWEZNYYVVJM-SNVBAGLBSA-N 0 1 247.404 2.257 20 0 BEADMN CC(C)[C@H](C(=O)OCCC1CCC1)N(C)C ZINC000798852023 586151454 /nfs/dbraw/zinc/15/14/54/586151454.db2.gz SPOTYFCAMCDDHT-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)[C@@H](C(=O)OCCC1CCC1)N(C)C ZINC000798852024 586151522 /nfs/dbraw/zinc/15/15/22/586151522.db2.gz SPOTYFCAMCDDHT-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CCC(CC)COC(=O)Cc1cc(C)[nH]n1 ZINC000798892809 586152661 /nfs/dbraw/zinc/15/26/61/586152661.db2.gz XFPNEHUQIBQEPF-UHFFFAOYSA-N 0 1 224.304 2.240 20 0 BEADMN COCCC1CCN(Cc2cnc(C)cn2)CC1 ZINC000859399668 589035447 /nfs/dbraw/zinc/03/54/47/589035447.db2.gz WTSYKTKGRABZIR-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN Oc1ccc2c(c1)CN(CC1(O)CCCCC1)C2 ZINC000859480111 589040045 /nfs/dbraw/zinc/04/00/45/589040045.db2.gz XVFZMZCFYXWKJY-UHFFFAOYSA-N 0 1 247.338 2.403 20 0 BEADMN CCCCN(CC)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839959602 586300247 /nfs/dbraw/zinc/30/02/47/586300247.db2.gz PJTRDSOGHYZUEG-NEPJUHHUSA-N 0 1 224.348 2.077 20 0 BEADMN CCCCN(CN1CC[C@@H](C)C1=O)C1CC1 ZINC000839961472 586301533 /nfs/dbraw/zinc/30/15/33/586301533.db2.gz XAQBIFSMHQLRBC-LLVKDONJSA-N 0 1 224.348 2.077 20 0 BEADMN CC(C)N(CN1C[C@@H]2CCC[C@@H]2C1=O)C1CC1 ZINC000839961614 586301849 /nfs/dbraw/zinc/30/18/49/586301849.db2.gz YAIKXOPCCCILMI-AAEUAGOBSA-N 0 1 236.359 2.075 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)Cc1[nH]nc2ccccc21 ZINC000859520258 589042458 /nfs/dbraw/zinc/04/24/58/589042458.db2.gz HOPCMJNFWYICEM-VHSXEESVSA-N 0 1 244.294 2.305 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839974994 586310118 /nfs/dbraw/zinc/31/01/18/586310118.db2.gz NMATVUOPDVDBCK-STQMWFEESA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](C)[C@H](C)C1=O ZINC000839990872 586333272 /nfs/dbraw/zinc/33/32/72/586333272.db2.gz AJCKZIGGQIWNCD-SRVKXCTJSA-N 0 1 226.364 2.036 20 0 BEADMN CC[C@@H](C)CN(C)CN1CCC(C)(C)C1=O ZINC000839991213 586333802 /nfs/dbraw/zinc/33/38/02/586333802.db2.gz CAYCLRPTYQXBBD-LLVKDONJSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@H]1CN(CN2CCCC(C)(C)C2)C(=O)[C@H]1C ZINC000839993460 586335903 /nfs/dbraw/zinc/33/59/03/586335903.db2.gz DLTDZIVEQIAWMV-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@@H]1OCC[C@H]1C(=O)NOC1CCCCC1 ZINC000803128776 586335965 /nfs/dbraw/zinc/33/59/65/586335965.db2.gz MWKNMQCPBNPDEL-NEPJUHHUSA-N 0 1 241.331 2.182 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1C=CCCC1)N(C)C ZINC000803492365 586360902 /nfs/dbraw/zinc/36/09/02/586360902.db2.gz CTIGMBHOEMHGMN-NWDGAFQWSA-N 0 1 225.332 2.225 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OCCCCF ZINC000803487825 586360988 /nfs/dbraw/zinc/36/09/88/586360988.db2.gz NXAOQPVUPRXUEG-QWRGUYRKSA-N 0 1 231.311 2.152 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCCCF ZINC000803487824 586361185 /nfs/dbraw/zinc/36/11/85/586361185.db2.gz NXAOQPVUPRXUEG-PHIMTYICSA-N 0 1 231.311 2.152 20 0 BEADMN CN(CN1C[C@H]2CCC[C@H]2C1=O)CC(C)(C)C ZINC000840004014 586362521 /nfs/dbraw/zinc/36/25/21/586362521.db2.gz QMWLLPCHCZZZQB-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H]1C(=O)N(CN(C)CC(C)(C)C)C[C@H]1C ZINC000840005117 586364934 /nfs/dbraw/zinc/36/49/34/586364934.db2.gz VHMLJYNRTDCXKV-GHMZBOCLSA-N 0 1 226.364 2.036 20 0 BEADMN C/C=C\C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000803638606 586368354 /nfs/dbraw/zinc/36/83/54/586368354.db2.gz YMVFFTZBFUCGIV-ARJAWSKDSA-N 0 1 233.315 2.000 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2ccccc2C)n[nH]1 ZINC000840011372 586368604 /nfs/dbraw/zinc/36/86/04/586368604.db2.gz OHTWULJBBXGBLG-VIFPVBQESA-N 0 1 245.282 2.340 20 0 BEADMN O=C1[C@H]2CCC[C@@H]2CN1CN1CCC2(CCC2)C1 ZINC000840023672 586383531 /nfs/dbraw/zinc/38/35/31/586383531.db2.gz SGDPENFYFAUNGM-OLZOCXBDSA-N 0 1 248.370 2.078 20 0 BEADMN Cc1cc2c(cc1C)N(C(=O)[C@H](C)N(C)C)CC2 ZINC000804318652 586390390 /nfs/dbraw/zinc/39/03/90/586390390.db2.gz AGFGKXSNIQSING-LBPRGKRZSA-N 0 1 246.354 2.143 20 0 BEADMN CCc1[nH]ncc1C(=O)N(CC(C)(C)C)OC ZINC000804582107 586399860 /nfs/dbraw/zinc/39/98/60/586399860.db2.gz OGWCGCWLZZRAMA-UHFFFAOYSA-N 0 1 239.319 2.022 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000840061095 586412191 /nfs/dbraw/zinc/41/21/91/586412191.db2.gz BZVYAPILGCKGBZ-SCZZXKLOSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CC=CCC2)n[nH]1 ZINC000840061099 586412205 /nfs/dbraw/zinc/41/22/05/586412205.db2.gz BZVYAPILGCKGBZ-WPRPVWTQSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)CCC(C)C)n[nH]1 ZINC000840094611 586444535 /nfs/dbraw/zinc/44/45/35/586444535.db2.gz HPJVDPPRQWLSAE-QMMMGPOBSA-N 0 1 225.292 2.154 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2cc(C3CC3)on2)n1 ZINC000843147551 586445858 /nfs/dbraw/zinc/44/58/58/586445858.db2.gz BFIUPYIBSABZKI-SNVBAGLBSA-N 0 1 248.286 2.258 20 0 BEADMN CCCN1C(=O)N=NC1SCOC1CCC1 ZINC000808013637 586459115 /nfs/dbraw/zinc/45/91/15/586459115.db2.gz KPLXKKVPRZGLEV-UHFFFAOYSA-N 0 1 243.332 2.012 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCCCC2)C1 ZINC000808134482 586464314 /nfs/dbraw/zinc/46/43/14/586464314.db2.gz VSKIBOAUOCWLFP-ZDUSSCGKSA-N 0 1 224.348 2.078 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000808735542 586485643 /nfs/dbraw/zinc/48/56/43/586485643.db2.gz QTQMKLILERSQRB-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN CC(C)C(=O)CCN1CCOC2(CCCC2)C1 ZINC000808735542 586485645 /nfs/dbraw/zinc/48/56/45/586485645.db2.gz QTQMKLILERSQRB-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN CC(C)C(=O)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000808744909 586486400 /nfs/dbraw/zinc/48/64/00/586486400.db2.gz FGAGFMBOPMCVTG-QWRGUYRKSA-N 0 1 215.312 2.282 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000808753710 586488409 /nfs/dbraw/zinc/48/84/09/586488409.db2.gz AISLQQUGSSSCRF-BXUZGUMPSA-N 0 1 239.359 2.101 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCC1CC1 ZINC000809374272 586504901 /nfs/dbraw/zinc/50/49/01/586504901.db2.gz HZHKNAZPQAVKPX-PHIMTYICSA-N 0 1 239.363 2.158 20 0 BEADMN CCCON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000809373892 586505143 /nfs/dbraw/zinc/50/51/43/586505143.db2.gz AJFFRZPEYMGHFF-GHMZBOCLSA-N 0 1 227.352 2.158 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840179438 586506347 /nfs/dbraw/zinc/50/63/47/586506347.db2.gz BGSWMCUBHCXXLL-UTUOFQBUSA-N 0 1 236.359 2.075 20 0 BEADMN C[C@@H]1C[C@H]1COC(=O)C(C)(C)N1CCCC1 ZINC000859693000 589055098 /nfs/dbraw/zinc/05/50/98/589055098.db2.gz QTTJKLPWLJCJEJ-MNOVXSKESA-N 0 1 225.332 2.060 20 0 BEADMN c1nnsc1CN1CCCCCCC1 ZINC000809570295 586507056 /nfs/dbraw/zinc/50/70/56/586507056.db2.gz LZUUCHUFRFTLDW-UHFFFAOYSA-N 0 1 211.334 2.304 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1cccc(F)c1 ZINC000809743749 586516452 /nfs/dbraw/zinc/51/64/52/586516452.db2.gz CJADVPWIEOCGAJ-VIFPVBQESA-N 0 1 249.289 2.238 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1cccc(F)c1 ZINC000809743748 586516671 /nfs/dbraw/zinc/51/66/71/586516671.db2.gz CJADVPWIEOCGAJ-SECBINFHSA-N 0 1 249.289 2.238 20 0 BEADMN CCOC1CC(N(C)Cc2ccc(F)nc2)C1 ZINC000809774390 586519252 /nfs/dbraw/zinc/51/92/52/586519252.db2.gz RSPGZORWUKIOMB-UHFFFAOYSA-N 0 1 238.306 2.220 20 0 BEADMN CCCCN(CCCC)Cc1cnn(C)n1 ZINC000809931138 586524107 /nfs/dbraw/zinc/52/41/07/586524107.db2.gz HTHLMOHXMPQCMX-UHFFFAOYSA-N 0 1 224.352 2.217 20 0 BEADMN Cn1ncc(CN(C2CC2)C2CCCCC2)n1 ZINC000809936196 586524578 /nfs/dbraw/zinc/52/45/78/586524578.db2.gz SDLXHYLLJSCOKA-UHFFFAOYSA-N 0 1 234.347 2.112 20 0 BEADMN CC[C@H](C)[C@H](C)N(Cc1cnn(C)n1)C1CC1 ZINC000809942232 586524821 /nfs/dbraw/zinc/52/48/21/586524821.db2.gz GHFBRODCYLJAHA-QWRGUYRKSA-N 0 1 236.363 2.214 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnn(C)n1 ZINC000809948252 586525487 /nfs/dbraw/zinc/52/54/87/586525487.db2.gz BDDPCOANOPBUNN-YPMHNXCESA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1Cc1cnn(C)n1 ZINC000809948249 586525609 /nfs/dbraw/zinc/52/56/09/586525609.db2.gz BDDPCOANOPBUNN-AAEUAGOBSA-N 0 1 236.363 2.216 20 0 BEADMN S=c1[nH]ccn1CN1CC[C@@H](C2CCC2)C1 ZINC000840189189 586527544 /nfs/dbraw/zinc/52/75/44/586527544.db2.gz OQWQWYHYACPXQP-LLVKDONJSA-N 0 1 237.372 2.251 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC1(Cl)Cl ZINC000809981303 586527868 /nfs/dbraw/zinc/52/78/68/586527868.db2.gz GNJXSANRHVZAII-XHNCKOQMSA-N 0 1 248.153 2.376 20 0 BEADMN Cn1ncc(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000809999566 586529961 /nfs/dbraw/zinc/52/99/61/586529961.db2.gz KKHVBUMRIUQRDN-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN O=C1SCCN1CN1CC[C@H](C2CCC2)C1 ZINC000840190325 586530951 /nfs/dbraw/zinc/53/09/51/586530951.db2.gz WEVVKIMMARJGNU-NSHDSACASA-N 0 1 240.372 2.235 20 0 BEADMN FCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810047767 586532464 /nfs/dbraw/zinc/53/24/64/586532464.db2.gz JZFPFDGCCBXKES-AWEZNQCLSA-N 0 1 235.302 2.426 20 0 BEADMN Cc1cc([NH+]=C([O-])NOC/C=C\Cl)sn1 ZINC000810193341 586536506 /nfs/dbraw/zinc/53/65/06/586536506.db2.gz UIWFOJLEPBXXJQ-IHWYPQMZSA-N 0 1 247.707 2.257 20 0 BEADMN Cc1nc([C@@H](C)SC2=N[C@H](C)CS2)n[nH]1 ZINC000840202599 586538679 /nfs/dbraw/zinc/53/86/79/586538679.db2.gz GJJNBSIRFIRTBY-PHDIDXHHSA-N 0 1 242.373 2.399 20 0 BEADMN Cc1nc([C@@H](C)SC2=N[C@@H](C)CS2)n[nH]1 ZINC000840202598 586538872 /nfs/dbraw/zinc/53/88/72/586538872.db2.gz GJJNBSIRFIRTBY-NTSWFWBYSA-N 0 1 242.373 2.399 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811753309 586566797 /nfs/dbraw/zinc/56/67/97/586566797.db2.gz RMIKVAWRKAZULT-PWSUYJOCSA-N 0 1 236.359 2.075 20 0 BEADMN Cn1ncc2ccc(CNCc3ccoc3)cc21 ZINC000812771629 586583619 /nfs/dbraw/zinc/58/36/19/586583619.db2.gz CBFJRWADVGHJAT-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CCC1(C(=O)O[C@H](C)c2n[nH]c(C)n2)CCC1 ZINC000840267638 586584117 /nfs/dbraw/zinc/58/41/17/586584117.db2.gz NANDECRSOIWXCD-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN CC[C@@H](C)CONc1cc(-n2ccnc2)ncn1 ZINC000813621657 586604503 /nfs/dbraw/zinc/60/45/03/586604503.db2.gz CZUSSNRAOBJKOZ-SNVBAGLBSA-N 0 1 247.302 2.052 20 0 BEADMN CCC[C@@H](C)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000814179427 586616075 /nfs/dbraw/zinc/61/60/75/586616075.db2.gz SZNLGWIVYYQZKM-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814358205 586621427 /nfs/dbraw/zinc/62/14/27/586621427.db2.gz DQYIBTFIAQMIIV-UHFFFAOYSA-N 0 1 239.319 2.336 20 0 BEADMN CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814358205 586621428 /nfs/dbraw/zinc/62/14/28/586621428.db2.gz DQYIBTFIAQMIIV-UHFFFAOYSA-N 0 1 239.319 2.336 20 0 BEADMN Cc1nn(C)c2ncc(CN3C[C@H](C)[C@@H]3C)cc12 ZINC000815162612 586671300 /nfs/dbraw/zinc/67/13/00/586671300.db2.gz LPXRCKFXYAUUFV-ONGXEEELSA-N 0 1 244.342 2.117 20 0 BEADMN CCCCCCNC(=O)CN1C[C@H](C)[C@@H]1C ZINC000815162006 586671696 /nfs/dbraw/zinc/67/16/96/586671696.db2.gz GCSQXVCHHIIEQR-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CCC1(COC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000816184362 586712467 /nfs/dbraw/zinc/71/24/67/586712467.db2.gz VEEXBAAMMSHGPH-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H](C(=O)OC[C@H]1CC1(F)F)N(CC)CC ZINC000816416107 586726763 /nfs/dbraw/zinc/72/67/63/586726763.db2.gz KHMFOECQUCHLBP-ZJUUUORDSA-N 0 1 249.301 2.305 20 0 BEADMN CC[C@H](C(=O)OC[C@@H]1CC1(F)F)N(CC)CC ZINC000816416106 586727141 /nfs/dbraw/zinc/72/71/41/586727141.db2.gz KHMFOECQUCHLBP-VHSXEESVSA-N 0 1 249.301 2.305 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810438 589062801 /nfs/dbraw/zinc/06/28/01/589062801.db2.gz OBVNWKWQCBEVDR-PWSUYJOCSA-N 0 1 231.311 2.167 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@@H]2C)cn1 ZINC000816646875 586749141 /nfs/dbraw/zinc/74/91/41/586749141.db2.gz KAMPYHTZORQYPZ-MNOVXSKESA-N 0 1 207.321 2.304 20 0 BEADMN COCc1ccc(CN2C[C@H](C)[C@H]2C)o1 ZINC000816647944 586750134 /nfs/dbraw/zinc/75/01/34/586750134.db2.gz AZLMTPMKFJSYRN-VHSXEESVSA-N 0 1 209.289 2.266 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1n[nH]c2ccccc21 ZINC000816647836 586750289 /nfs/dbraw/zinc/75/02/89/586750289.db2.gz YUUGYJSHNAEBHY-VHSXEESVSA-N 0 1 215.300 2.403 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000859810755 589063100 /nfs/dbraw/zinc/06/31/00/589063100.db2.gz ATLAXRDFBKBQKF-NTZNESFSSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2OCO3)[C@H]1C ZINC000816649155 586751788 /nfs/dbraw/zinc/75/17/88/586751788.db2.gz VAHFYSHMXFGVJS-ZJUUUORDSA-N 0 1 219.284 2.256 20 0 BEADMN Cc1cccn2c(CN3C[C@H](C)[C@@H]3C)cnc12 ZINC000816649697 586752957 /nfs/dbraw/zinc/75/29/57/586752957.db2.gz HODDNACNQNRICJ-RYUDHWBXSA-N 0 1 229.327 2.483 20 0 BEADMN CC1(C(=O)NOc2ccccc2)CCC1 ZINC000816684499 586755967 /nfs/dbraw/zinc/75/59/67/586755967.db2.gz DIYARHBAXBNOSO-UHFFFAOYSA-N 0 1 205.257 2.287 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@H]1Cc2ccccc21 ZINC000816979223 586777473 /nfs/dbraw/zinc/77/74/73/586777473.db2.gz KLLNFTSOQSMXFA-GXFFZTMASA-N 0 1 233.311 2.420 20 0 BEADMN C[C@H]1CC(F)(F)CCN1CCOC(F)F ZINC000859842407 589065655 /nfs/dbraw/zinc/06/56/55/589065655.db2.gz LNCBXRYDVJTMGG-ZETCQYMHSA-N 0 1 229.217 2.345 20 0 BEADMN Cn1ncc(CNC2CC3(C2)CCCCC3)n1 ZINC000817409969 586801235 /nfs/dbraw/zinc/80/12/35/586801235.db2.gz SJOSLRFOFCURQI-UHFFFAOYSA-N 0 1 234.347 2.018 20 0 BEADMN FCC[C@H]1CN(CCc2cccs2)CCO1 ZINC000859903622 589069925 /nfs/dbraw/zinc/06/99/25/589069925.db2.gz NWXZFDYAMFLBFG-NSHDSACASA-N 0 1 243.347 2.351 20 0 BEADMN CCC(N)=NOCC[C@H]1CC1(Cl)Cl ZINC000818076875 586869922 /nfs/dbraw/zinc/86/99/22/586869922.db2.gz MWQPNHPDLDVNJG-LURJTMIESA-N 0 1 225.119 2.479 20 0 BEADMN Cn1c(Cl)cnc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000818231439 586880723 /nfs/dbraw/zinc/88/07/23/586880723.db2.gz WKAXVKMVKHRNAW-VHSXEESVSA-N 0 1 239.750 2.352 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000818463109 586892271 /nfs/dbraw/zinc/89/22/71/586892271.db2.gz ZTHVKNWPOYMQDY-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN CCC/C(C)=C/C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818621451 586907792 /nfs/dbraw/zinc/90/77/92/586907792.db2.gz VWLIBNOVRJOTBN-YHDXHSTISA-N 0 1 238.375 2.284 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)C[C@@H]1CC ZINC000818969868 586918469 /nfs/dbraw/zinc/91/84/69/586918469.db2.gz AKXZDTPZMBBWBD-XSNHNAGMSA-N 0 1 238.375 2.285 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC000819276923 586946447 /nfs/dbraw/zinc/94/64/47/586946447.db2.gz VRHFOAWKTIVREA-GXFFZTMASA-N 0 1 249.358 2.415 20 0 BEADMN Cc1ncc(CNC[C@@H](O)c2ccccc2C)o1 ZINC000819363121 586957161 /nfs/dbraw/zinc/95/71/61/586957161.db2.gz DXBYLHVMCGEORH-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN CC1(C)CCCC[C@H]1CC(=O)Nc1c[nH]nn1 ZINC000819487838 586969190 /nfs/dbraw/zinc/96/91/90/586969190.db2.gz JJOPTZHXORZTHB-VIFPVBQESA-N 0 1 236.319 2.350 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000819895198 587000731 /nfs/dbraw/zinc/00/07/31/587000731.db2.gz BUHFZNIRBQRXGI-VIFPVBQESA-N 0 1 232.283 2.073 20 0 BEADMN O=C(C=C1CCCCC1)N1CCc2nc[nH]c2C1 ZINC000819967571 587008494 /nfs/dbraw/zinc/00/84/94/587008494.db2.gz HPGNPGZJIVPGAM-UHFFFAOYSA-N 0 1 245.326 2.185 20 0 BEADMN CC=C(C=CC(=O)N1CCc2nc[nH]c2C1)CC ZINC000819967852 587008773 /nfs/dbraw/zinc/00/87/73/587008773.db2.gz NXNUZPOUICKYLH-YOYJXUCXSA-N 0 1 245.326 2.207 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)COC2 ZINC000820015730 587013218 /nfs/dbraw/zinc/01/32/18/587013218.db2.gz ZNFGFVKFTQYWIN-UHFFFAOYSA-N 0 1 249.310 2.012 20 0 BEADMN C[C@H](C(=O)N1CCC2(CCCC2)CC1)N(C)C ZINC000820171479 587031307 /nfs/dbraw/zinc/03/13/07/587031307.db2.gz AKVNOFIXINNSST-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@]1(C)C=CCC1 ZINC000820279838 587040136 /nfs/dbraw/zinc/04/01/36/587040136.db2.gz SDINOZBVKTUSHV-JQWIXIFHSA-N 0 1 211.305 2.437 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)[C@H]1C ZINC000820651955 587061996 /nfs/dbraw/zinc/06/19/96/587061996.db2.gz VRXMWUJIOBDFGM-RQJHMYQMSA-N 0 1 241.237 2.151 20 0 BEADMN CCCCN(C)C(=O)c1nc[nH]c1C(F)(F)F ZINC000820714123 587068128 /nfs/dbraw/zinc/06/81/28/587068128.db2.gz SROVHSVBPZZEEY-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN COc1cc([C@H](C)NC[C@H](C)SC)on1 ZINC000820830230 587075207 /nfs/dbraw/zinc/07/52/07/587075207.db2.gz QDRJGVAEJCPVDY-YUMQZZPRSA-N 0 1 230.333 2.085 20 0 BEADMN CCCC1(CNC(=O)CN2CCCC2)CCC1 ZINC000820842290 587076336 /nfs/dbraw/zinc/07/63/36/587076336.db2.gz DBMNIZCTANEBAR-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)[O-])[C@H]2C ZINC000820853575 587077490 /nfs/dbraw/zinc/07/74/90/587077490.db2.gz MHJQJKOVTFFVDY-UWVGGRQHSA-N 0 1 249.310 2.087 20 0 BEADMN CCCC(C)(C)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000821008129 587087957 /nfs/dbraw/zinc/08/79/57/587087957.db2.gz HFGBUFCKOAVFSX-UHFFFAOYSA-N 0 1 249.318 2.128 20 0 BEADMN CCC1(NC(=O)c2cccc(F)c2O)CC1 ZINC000821106034 587096045 /nfs/dbraw/zinc/09/60/45/587096045.db2.gz WIXHGUUQGQXJMM-UHFFFAOYSA-N 0 1 223.247 2.204 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840423957 587101277 /nfs/dbraw/zinc/10/12/77/587101277.db2.gz HMTRHFUUOSBBEK-CIUDSAMLSA-N 0 1 239.319 2.400 20 0 BEADMN CC/C(C)=C(/C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840424230 587101317 /nfs/dbraw/zinc/10/13/17/587101317.db2.gz LNGSGHFJOHIGGW-FUOZMLNRSA-N 0 1 237.303 2.464 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C23CCC(CC2)C3)n[nH]1 ZINC000840440535 587103214 /nfs/dbraw/zinc/10/32/14/587103214.db2.gz OMZUILBDHXMEAE-NCZMNARYSA-N 0 1 249.314 2.298 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000821300993 587106057 /nfs/dbraw/zinc/10/60/57/587106057.db2.gz FJTNVLSOBYMDMN-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CC)C(=O)c1nc[nH]c1C(F)(F)F ZINC000821335606 587108083 /nfs/dbraw/zinc/10/80/83/587108083.db2.gz AFDODHFCXDILEE-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nonc3c2)CCS1 ZINC000821369749 587112961 /nfs/dbraw/zinc/11/29/61/587112961.db2.gz WONNTXRABQHGCM-SECBINFHSA-N 0 1 249.339 2.160 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000821479987 587121323 /nfs/dbraw/zinc/12/13/23/587121323.db2.gz ALKFAAHZVFHKAT-AGIUHOORSA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])CCCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000821518385 587124605 /nfs/dbraw/zinc/12/46/05/587124605.db2.gz ZITVLZXXGURUFM-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN O=C([O-])c1cccc(C[NH2+]Cc2nccs2)c1 ZINC000821552668 587127758 /nfs/dbraw/zinc/12/77/58/587127758.db2.gz OPLVFJSGPDSICU-UHFFFAOYSA-N 0 1 248.307 2.131 20 0 BEADMN C[C@]1(COC(=O)c2ccc3cncn3c2)C[C@H]1F ZINC000822138530 587156359 /nfs/dbraw/zinc/15/63/59/587156359.db2.gz MGPARODNBMNTHF-DGCLKSJQSA-N 0 1 248.257 2.239 20 0 BEADMN CCC[C@H](CC)C(=O)NCCN1CC=CCC1 ZINC000822583498 587176562 /nfs/dbraw/zinc/17/65/62/587176562.db2.gz OQWDALWOUWKUTA-ZDUSSCGKSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000840473162 587180821 /nfs/dbraw/zinc/18/08/21/587180821.db2.gz RCGUAKITSBOMIS-GXSJLCMTSA-N 0 1 249.314 2.464 20 0 BEADMN Cc1ccc(-c2noc([C@H]3CCCCN3)n2)cn1 ZINC000822723183 587182610 /nfs/dbraw/zinc/18/26/10/587182610.db2.gz SSXVUFRXZLDQOS-LLVKDONJSA-N 0 1 244.298 2.255 20 0 BEADMN C[C@H](NC(=O)CN1CCCC1)c1ccsc1 ZINC000822746794 587183717 /nfs/dbraw/zinc/18/37/17/587183717.db2.gz XPZGOVAYVGTQFG-JTQLQIEISA-N 0 1 238.356 2.021 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000822903485 587191954 /nfs/dbraw/zinc/19/19/54/587191954.db2.gz KZTZVRGVDWNBIQ-PSASIEDQSA-N 0 1 238.335 2.117 20 0 BEADMN Cc1ocnc1-c1noc([C@H]2C[C@@H](C)CCN2)n1 ZINC000823141162 587204790 /nfs/dbraw/zinc/20/47/90/587204790.db2.gz SKGGVCHQECMQMF-IONNQARKSA-N 0 1 248.286 2.094 20 0 BEADMN Cc1ocnc1-c1noc([C@H]2C[C@H](C)CCN2)n1 ZINC000823141164 587204898 /nfs/dbraw/zinc/20/48/98/587204898.db2.gz SKGGVCHQECMQMF-VXNVDRBHSA-N 0 1 248.286 2.094 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C(C)(C)C(C)C)n[nH]1 ZINC000840477099 587205323 /nfs/dbraw/zinc/20/53/23/587205323.db2.gz NGWNRHOTCMUQAB-MRVPVSSYSA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2=CCCCC2)n[nH]1 ZINC000840477252 587206402 /nfs/dbraw/zinc/20/64/02/587206402.db2.gz QTEMYZAJKJWAJH-MRVPVSSYSA-N 0 1 235.287 2.218 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(C)C[C@H]1CC ZINC000823196705 587208190 /nfs/dbraw/zinc/20/81/90/587208190.db2.gz BLDGFXXBDAHWOV-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1cc(CNC(=O)C(C)(C)C2CCC2)n[nH]1 ZINC000823286247 587213664 /nfs/dbraw/zinc/21/36/64/587213664.db2.gz GXYCMKODDFQEHN-UHFFFAOYSA-N 0 1 249.358 2.415 20 0 BEADMN O=C(CN1CCCC1)NCC1CCCCCC1 ZINC000823354708 587217760 /nfs/dbraw/zinc/21/77/60/587217760.db2.gz JNRDLGLJSVEQDU-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CCN(Cc1nn(CC)nc1C)CC(C)C ZINC000823404304 587220103 /nfs/dbraw/zinc/22/01/03/587220103.db2.gz OMBCDJSCURCPPS-UHFFFAOYSA-N 0 1 224.352 2.084 20 0 BEADMN COc1nccnc1CN1CCC2(CCCC2)C1 ZINC000823448028 587222828 /nfs/dbraw/zinc/22/28/28/587222828.db2.gz RJVXXWUQHZLEGV-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CCn1nc(C)c(CN2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000823453789 587223535 /nfs/dbraw/zinc/22/35/35/587223535.db2.gz ZRMSWTIETMAZOC-CHWSQXEVSA-N 0 1 248.374 2.228 20 0 BEADMN CCc1cccc(N(C)C(=O)CN2CCCC2)c1 ZINC000823505430 587227936 /nfs/dbraw/zinc/22/79/36/587227936.db2.gz ZDHJCQWDCXDKCZ-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN Cc1cc(=O)[nH]c(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000823508948 587228726 /nfs/dbraw/zinc/22/87/26/587228726.db2.gz AXGXUPDIXSNAAI-MWLCHTKSSA-N 0 1 235.331 2.111 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](C)C[C@H]2C)n1 ZINC000823508948 587228727 /nfs/dbraw/zinc/22/87/27/587228727.db2.gz AXGXUPDIXSNAAI-MWLCHTKSSA-N 0 1 235.331 2.111 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)n1 ZINC000823508948 587228728 /nfs/dbraw/zinc/22/87/28/587228728.db2.gz AXGXUPDIXSNAAI-MWLCHTKSSA-N 0 1 235.331 2.111 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000823766202 587239847 /nfs/dbraw/zinc/23/98/47/587239847.db2.gz JEQWXKPJKQZDHN-SNVBAGLBSA-N 0 1 228.336 2.155 20 0 BEADMN COCC1(NCc2ccnc(Cl)c2F)CC1 ZINC000824017585 587247679 /nfs/dbraw/zinc/24/76/79/587247679.db2.gz FHLAUDQUDWTQTD-UHFFFAOYSA-N 0 1 244.697 2.143 20 0 BEADMN CC(C(=O)N(C)Cc1cn[nH]c1C)=C1CCC1 ZINC000824056304 587252192 /nfs/dbraw/zinc/25/21/92/587252192.db2.gz HSBDFOFGYIPSRG-UHFFFAOYSA-N 0 1 233.315 2.177 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C\C1CCCC1 ZINC000824063461 587252627 /nfs/dbraw/zinc/25/26/27/587252627.db2.gz QJLAGLDGTVUCAG-FPLPWBNLSA-N 0 1 247.342 2.423 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nn(CC)nc1C ZINC000824195400 587259994 /nfs/dbraw/zinc/25/99/94/587259994.db2.gz DIVSULDKVZWPEK-GWCFXTLKSA-N 0 1 236.363 2.227 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824238412 587260331 /nfs/dbraw/zinc/26/03/31/587260331.db2.gz GKLGOVCDJBJORF-NSHDSACASA-N 0 1 228.336 2.107 20 0 BEADMN CCOC[C@H](C)NCc1ccnc(Cl)c1F ZINC000824208723 587260821 /nfs/dbraw/zinc/26/08/21/587260821.db2.gz GVKMNTZWMOCNOC-QMMMGPOBSA-N 0 1 246.713 2.389 20 0 BEADMN CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824256887 587263750 /nfs/dbraw/zinc/26/37/50/587263750.db2.gz JQLLGJMGCSQHKD-GHMZBOCLSA-N 0 1 228.336 2.011 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC23CCCC3)n1 ZINC000824287474 587264820 /nfs/dbraw/zinc/26/48/20/587264820.db2.gz RLXPRUGLFOOACX-LBPRGKRZSA-N 0 1 234.347 2.029 20 0 BEADMN CCn1nc(C)c(CNC2C(C)(C)C2(C)C)n1 ZINC000824389292 587268459 /nfs/dbraw/zinc/26/84/59/587268459.db2.gz JMWZZNWRANRDLU-UHFFFAOYSA-N 0 1 236.363 2.131 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nn(CC)nc1C ZINC000824395648 587269179 /nfs/dbraw/zinc/26/91/79/587269179.db2.gz IBUCDTFEJUWMKG-PWSUYJOCSA-N 0 1 236.363 2.369 20 0 BEADMN CC[C@H](C)CC(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840487428 587270365 /nfs/dbraw/zinc/27/03/65/587270365.db2.gz IYHQIYPZZLSJJW-JGVFFNPUSA-N 0 1 225.292 2.154 20 0 BEADMN CC[C@H](C)CC(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840487430 587270576 /nfs/dbraw/zinc/27/05/76/587270576.db2.gz IYHQIYPZZLSJJW-YUMQZZPRSA-N 0 1 225.292 2.154 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000824580201 587277807 /nfs/dbraw/zinc/27/78/07/587277807.db2.gz KXTSRKTXUCYYOG-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CNCc2n[nH]c(C3CC3)n2)c(C)o1 ZINC000824602908 587279108 /nfs/dbraw/zinc/27/91/08/587279108.db2.gz GNYNMWXWBMSCIK-UHFFFAOYSA-N 0 1 246.314 2.182 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824629514 587280304 /nfs/dbraw/zinc/28/03/04/587280304.db2.gz UZTAWCDQGUXVQQ-CNDDSTCGSA-N 0 1 247.342 2.194 20 0 BEADMN Cn1ccnc1CNC[C@]1(C)CC1(Cl)Cl ZINC000824765271 587286353 /nfs/dbraw/zinc/28/63/53/587286353.db2.gz IZJKRAAWBTVQPL-VIFPVBQESA-N 0 1 248.157 2.094 20 0 BEADMN CCc1nc(CN[C@@H]2CSC[C@H]2C)co1 ZINC000825062439 587301979 /nfs/dbraw/zinc/30/19/79/587301979.db2.gz WHQAMHUGEIZXOV-PSASIEDQSA-N 0 1 226.345 2.078 20 0 BEADMN CCc1nc(CN[C@@H]2CSC[C@@H]2C)co1 ZINC000825062441 587302039 /nfs/dbraw/zinc/30/20/39/587302039.db2.gz WHQAMHUGEIZXOV-WCBMZHEXSA-N 0 1 226.345 2.078 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC000825195803 587308875 /nfs/dbraw/zinc/30/88/75/587308875.db2.gz WIJIVVJDIZGPSE-PWSUYJOCSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC000825194280 587309006 /nfs/dbraw/zinc/30/90/06/587309006.db2.gz NOTMSNDMBXBYBP-JQWIXIFHSA-N 0 1 240.347 2.297 20 0 BEADMN COC[C@H]1CCCC[N@H+]1Cc1ccc(F)nc1 ZINC000825294731 587313287 /nfs/dbraw/zinc/31/32/87/587313287.db2.gz XMGXUWVVDIYUJZ-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN COC[C@H]1CCCCN1Cc1ccc(F)nc1 ZINC000825294731 587313289 /nfs/dbraw/zinc/31/32/89/587313289.db2.gz XMGXUWVVDIYUJZ-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN C/C(=C\C[N@@H+](Cc1ccccn1)C(C)C)C(=O)[O-] ZINC000825729956 587334467 /nfs/dbraw/zinc/33/44/67/587334467.db2.gz OJKSYQQTZGXKLP-KPKJPENVSA-N 0 1 248.326 2.323 20 0 BEADMN CN(CC1CCC1)c1nc(N)nc2c1CCCC2 ZINC000825737459 587335479 /nfs/dbraw/zinc/33/54/79/587335479.db2.gz FJYPBDIRAGNHRR-UHFFFAOYSA-N 0 1 246.358 2.174 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCNC(=O)[O-] ZINC000825853176 587341896 /nfs/dbraw/zinc/34/18/96/587341896.db2.gz VBWBFXIAUCBORZ-AAEUAGOBSA-N 0 1 248.326 2.132 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825865290 587342602 /nfs/dbraw/zinc/34/26/02/587342602.db2.gz HUJVYIPFIYHVAP-WOPDTQHZSA-N 0 1 240.347 2.107 20 0 BEADMN COCc1csc(CN2CC3(CC3)C2)c1 ZINC000826029329 587348852 /nfs/dbraw/zinc/34/88/52/587348852.db2.gz DTRATEONULBKSW-UHFFFAOYSA-N 0 1 223.341 2.490 20 0 BEADMN CC[C@@H]1c2ccccc2CC[N@@H+]1CCNC(=O)[O-] ZINC000826701621 587359534 /nfs/dbraw/zinc/35/95/34/587359534.db2.gz WGMANXZHJTWONP-CYBMUJFWSA-N 0 1 248.326 2.263 20 0 BEADMN CC1(C)C[C@H](NCc2cc(F)ncc2F)CO1 ZINC000826797232 587362654 /nfs/dbraw/zinc/36/26/54/587362654.db2.gz QOZGULKSZFYWKL-VIFPVBQESA-N 0 1 242.269 2.017 20 0 BEADMN CCCCC[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000826826217 587363459 /nfs/dbraw/zinc/36/34/59/587363459.db2.gz PQZVQDHALSGODB-NSHDSACASA-N 0 1 228.336 2.251 20 0 BEADMN CCc1ccc(C)nc1NCc1cnccn1 ZINC000826910212 587365106 /nfs/dbraw/zinc/36/51/06/587365106.db2.gz AMOYGJOXJZIKGB-UHFFFAOYSA-N 0 1 228.299 2.355 20 0 BEADMN CCC(F)(F)CNC(=O)[C@H]1CCCN1C(C)C ZINC000827279093 587375025 /nfs/dbraw/zinc/37/50/25/587375025.db2.gz QPPIOGQQGNMABB-SNVBAGLBSA-N 0 1 248.317 2.021 20 0 BEADMN C[C@H](C[N@@H+](CCF)Cc1ccccc1)C(=O)[O-] ZINC000827450258 587381865 /nfs/dbraw/zinc/38/18/65/587381865.db2.gz UQIHYKPQKSATTA-LLVKDONJSA-N 0 1 239.290 2.179 20 0 BEADMN CC(C(=O)N1[C@@H](C)CN(C)C[C@@H]1C)=C1CCC1 ZINC000827720031 587399562 /nfs/dbraw/zinc/39/95/62/587399562.db2.gz IAPVHUSHTBIACZ-QWRGUYRKSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCC(=O)CC(C)C ZINC000827788801 587402472 /nfs/dbraw/zinc/40/24/72/587402472.db2.gz XJZVBMOGZFCKMH-OLZOCXBDSA-N 0 1 241.375 2.491 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000827890774 587408147 /nfs/dbraw/zinc/40/81/47/587408147.db2.gz SXCGUEWASHOLTL-SNVBAGLBSA-N 0 1 228.336 2.107 20 0 BEADMN CCO[C@@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000827930982 587410381 /nfs/dbraw/zinc/41/03/81/587410381.db2.gz SIHYUFKSLYYHGH-CQSZACIVSA-N 0 1 241.375 2.493 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827951636 587413025 /nfs/dbraw/zinc/41/30/25/587413025.db2.gz ZGTFOCBVWSBXJA-GWCFXTLKSA-N 0 1 237.274 2.246 20 0 BEADMN CC/C(C)=C\C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000828094962 587419280 /nfs/dbraw/zinc/41/92/80/587419280.db2.gz FSDTZYCBBCHPMT-WDSMJVJCSA-N 0 1 238.375 2.284 20 0 BEADMN CC/C(C)=C/C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000828094961 587419340 /nfs/dbraw/zinc/41/93/40/587419340.db2.gz FSDTZYCBBCHPMT-UAIPSJAGSA-N 0 1 238.375 2.284 20 0 BEADMN CN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000828230507 587426023 /nfs/dbraw/zinc/42/60/23/587426023.db2.gz QJRMOCMZUNOERJ-CYBMUJFWSA-N 0 1 248.326 2.261 20 0 BEADMN CC(C)CC(=O)CCN1CC[C@H](OC(F)F)C1 ZINC000828469865 587444525 /nfs/dbraw/zinc/44/45/25/587444525.db2.gz VOXVELOWTWTVMZ-NSHDSACASA-N 0 1 249.301 2.305 20 0 BEADMN Cc1nn(C)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000828529108 587448054 /nfs/dbraw/zinc/44/80/54/587448054.db2.gz HEUCTITYAKKAEI-JTQLQIEISA-N 0 1 247.264 2.113 20 0 BEADMN Cc1cc(C)cc(CN(C)CC[S@@](C)=O)c1 ZINC000829243308 587489979 /nfs/dbraw/zinc/48/99/79/587489979.db2.gz AVSGYOKQDFXKIO-MRXNPFEDSA-N 0 1 239.384 2.114 20 0 BEADMN CCCCCC[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000829357977 587493886 /nfs/dbraw/zinc/49/38/86/587493886.db2.gz WKOTUOGMYBGBFU-LLVKDONJSA-N 0 1 217.284 2.065 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N[C@H]1CCCN(C)C1 ZINC000830151407 587539371 /nfs/dbraw/zinc/53/93/71/587539371.db2.gz WGQODYBBKGNTBU-NEPJUHHUSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000830497678 587554739 /nfs/dbraw/zinc/55/47/39/587554739.db2.gz JPIGYWSSRCFDRG-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1cc[nH+]c(NC2CCC(NC(=O)[O-])CC2)c1 ZINC000830611960 587559920 /nfs/dbraw/zinc/55/99/20/587559920.db2.gz RJZJOXFNDZBFAR-UHFFFAOYSA-N 0 1 249.314 2.381 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000830787766 587570256 /nfs/dbraw/zinc/57/02/56/587570256.db2.gz IORKLISRBVYWBS-UFGYOYAJSA-N 0 1 249.314 2.464 20 0 BEADMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000830855663 587574195 /nfs/dbraw/zinc/57/41/95/587574195.db2.gz DLAUTDSAWUGRQR-UHFFFAOYSA-N 0 1 244.294 2.345 20 0 BEADMN CCON(CC)C(=O)c1ccc(Cl)cc1O ZINC000831491523 587613744 /nfs/dbraw/zinc/61/37/44/587613744.db2.gz IWUJGRRVZYEVKU-UHFFFAOYSA-N 0 1 243.690 2.459 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000832572572 587667757 /nfs/dbraw/zinc/66/77/57/587667757.db2.gz DXCWLPRPDYEXQT-GFCCVEGCSA-N 0 1 240.347 2.299 20 0 BEADMN Cc1ccc(CN(C)CC2OCCO2)cc1C ZINC000832634330 587671178 /nfs/dbraw/zinc/67/11/78/587671178.db2.gz NYUVDDXASWRHKQ-UHFFFAOYSA-N 0 1 235.327 2.108 20 0 BEADMN CC(C)(C)C[C@H]1CCN([C@H]2CCOC2=O)C1 ZINC000832727006 587680332 /nfs/dbraw/zinc/68/03/32/587680332.db2.gz ICIMVMYKPXPCBQ-MNOVXSKESA-N 0 1 225.332 2.060 20 0 BEADMN C/C(=C\C[N@H+](C)[C@@H](C)c1ccccn1)C(=O)[O-] ZINC000833382757 587711973 /nfs/dbraw/zinc/71/19/73/587711973.db2.gz LMSYBHIZJNTGIU-HUYFXPKMSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C\C[N@@H+]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000833383815 587712304 /nfs/dbraw/zinc/71/23/04/587712304.db2.gz QEEHPIPVDJZBAH-XXNJBDPSSA-N 0 1 225.332 2.385 20 0 BEADMN C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000833386376 587713037 /nfs/dbraw/zinc/71/30/37/587713037.db2.gz OYFKCBUOHAJFLX-TZIYXEQSSA-N 0 1 245.322 2.496 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833515222 587718227 /nfs/dbraw/zinc/71/82/27/587718227.db2.gz CKTCISTXULMXRH-VIFPVBQESA-N 0 1 248.326 2.476 20 0 BEADMN C[C@H](C1CC1)[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC000833515221 587718357 /nfs/dbraw/zinc/71/83/57/587718357.db2.gz CKTCISTXULMXRH-SECBINFHSA-N 0 1 248.326 2.476 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2CCCC[C@H]2C)O1 ZINC000833582800 587721886 /nfs/dbraw/zinc/72/18/86/587721886.db2.gz FKHQWGDGDOQKHG-KOLCDFICSA-N 0 1 239.315 2.008 20 0 BEADMN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833601367 587723209 /nfs/dbraw/zinc/72/32/09/587723209.db2.gz AWGICVUBSRQIRE-UWVGGRQHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833601368 587723448 /nfs/dbraw/zinc/72/34/48/587723448.db2.gz AWGICVUBSRQIRE-VHSXEESVSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ccoc2C(=O)[O-])C[C@@H]1F ZINC000833615947 587724249 /nfs/dbraw/zinc/72/42/49/587724249.db2.gz NQCFEYPFLKGYSP-SCZZXKLOSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@@H]1F ZINC000833615947 587724250 /nfs/dbraw/zinc/72/42/50/587724250.db2.gz NQCFEYPFLKGYSP-SCZZXKLOSA-N 0 1 241.262 2.158 20 0 BEADMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])C2CC2)Cc2ccccc21 ZINC000833620644 587725061 /nfs/dbraw/zinc/72/50/61/587725061.db2.gz HLRURDNAGWZUBQ-HZMBPMFUSA-N 0 1 245.322 2.469 20 0 BEADMN CC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CCC1 ZINC000833654110 587727144 /nfs/dbraw/zinc/72/71/44/587727144.db2.gz BNQXCLKUUFLWBZ-NSHDSACASA-N 0 1 239.315 2.008 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]2C2CCC2)c[nH]1 ZINC000833778633 587731376 /nfs/dbraw/zinc/73/13/76/587731376.db2.gz DDWZGIZNHLKPLS-ZDUSSCGKSA-N 0 1 248.326 2.477 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c[nH]1 ZINC000833779175 587731469 /nfs/dbraw/zinc/73/14/69/587731469.db2.gz KARFNWLNRIFMBU-DGCLKSJQSA-N 0 1 248.326 2.477 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833795110 587732365 /nfs/dbraw/zinc/73/23/65/587732365.db2.gz UJHLGZYDFDUCDD-MNOVXSKESA-N 0 1 228.336 2.011 20 0 BEADMN CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833854003 587735865 /nfs/dbraw/zinc/73/58/65/587735865.db2.gz ROIWZEMCVUXTCV-ZACCUICWSA-N 0 1 226.320 2.002 20 0 BEADMN O=C([O-])N1CC[C@H]([N@@H+](CC2CCC2)C2CC2)C1 ZINC000834081135 587744913 /nfs/dbraw/zinc/74/49/13/587744913.db2.gz DKULZDYOJWPHKI-LBPRGKRZSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000834096106 587745101 /nfs/dbraw/zinc/74/51/01/587745101.db2.gz YAWKXSPWMLOHSP-NEPJUHHUSA-N 0 1 238.331 2.146 20 0 BEADMN CC[C@H](c1nc(-c2cccc(N)c2)no1)N(C)C ZINC000834425504 587754894 /nfs/dbraw/zinc/75/48/94/587754894.db2.gz VNMNCIMXAGUYNI-LLVKDONJSA-N 0 1 246.314 2.332 20 0 BEADMN c1cn2c(n1)[C@@H](NCCNc1ccccc1)CC2 ZINC000834617509 587761108 /nfs/dbraw/zinc/76/11/08/587761108.db2.gz ZOJVBZOFJKSPDW-ZDUSSCGKSA-N 0 1 242.326 2.030 20 0 BEADMN CCc1nc(COC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000835291310 587794928 /nfs/dbraw/zinc/79/49/28/587794928.db2.gz LGYDCMUBHLQRFO-SECBINFHSA-N 0 1 249.314 2.157 20 0 BEADMN CS[C@@H](C)CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000835665223 587810938 /nfs/dbraw/zinc/81/09/38/587810938.db2.gz DWTKUPABCVYANI-WDEREUQCSA-N 0 1 247.404 2.257 20 0 BEADMN Cc1cc(NC(=O)NOC2CCC2)sn1 ZINC000836446088 587833458 /nfs/dbraw/zinc/83/34/58/587833458.db2.gz XMPPJCZUDMWBLN-UHFFFAOYSA-N 0 1 227.289 2.057 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837003833 587847066 /nfs/dbraw/zinc/84/70/66/587847066.db2.gz AZHCUWDGJYNHKM-YLGBQOPLSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C\C(=O)NCCCc1cn[nH]c1C ZINC000837284405 587863864 /nfs/dbraw/zinc/86/38/64/587863864.db2.gz GKAHAXNANJAXFO-NTMALXAHSA-N 0 1 235.331 2.123 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000840581499 587912866 /nfs/dbraw/zinc/91/28/66/587912866.db2.gz OCLDZYJZKAQQKQ-RNCFNFMXSA-N 0 1 249.314 2.464 20 0 BEADMN CC/C(C)=C\C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840581962 587912927 /nfs/dbraw/zinc/91/29/27/587912927.db2.gz XQICGYGRDXNCIM-UAPHAKCISA-N 0 1 223.276 2.074 20 0 BEADMN CO[C@H](CNCc1ccoc1C)C(F)(F)F ZINC000840899060 587928489 /nfs/dbraw/zinc/92/84/89/587928489.db2.gz NDHZHRKVAYIWCH-SECBINFHSA-N 0 1 237.221 2.255 20 0 BEADMN C1=CO[C@@H](C[N@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000840953932 587931980 /nfs/dbraw/zinc/93/19/80/587931980.db2.gz DBEVGHCERJEXJF-KGLIPLIRSA-N 0 1 237.343 2.180 20 0 BEADMN C1=CO[C@@H](CN2CCO[C@H](C3CCC3)C2)CC1 ZINC000840953932 587931981 /nfs/dbraw/zinc/93/19/81/587931981.db2.gz DBEVGHCERJEXJF-KGLIPLIRSA-N 0 1 237.343 2.180 20 0 BEADMN C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@H]1C ZINC000840996162 587933795 /nfs/dbraw/zinc/93/37/95/587933795.db2.gz ALWSIFMJSGBDPN-DDHJBXDOSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])CS1 ZINC000840996501 587934401 /nfs/dbraw/zinc/93/44/01/587934401.db2.gz VKUWVJMMURZWAO-MXWKQRLJSA-N 0 1 243.372 2.066 20 0 BEADMN CC[N@@H+](CN1CC(F)(F)CC1=O)[C@H](C)C(C)C ZINC000841674079 587971293 /nfs/dbraw/zinc/97/12/93/587971293.db2.gz ASCOTCZIZDQVEE-SNVBAGLBSA-N 0 1 248.317 2.178 20 0 BEADMN CCC(N)=NOCc1cccc(C(C)=O)c1 ZINC000842024891 587989838 /nfs/dbraw/zinc/98/98/38/587989838.db2.gz SLOWTIKTOFZKTP-UHFFFAOYSA-N 0 1 220.272 2.298 20 0 BEADMN CCCC(N)=NOCC1CC(F)(F)C1 ZINC000842027871 587990400 /nfs/dbraw/zinc/99/04/00/587990400.db2.gz FEUYDKMBJYSTDM-UHFFFAOYSA-N 0 1 206.236 2.330 20 0 BEADMN CCCC(N)=NOCCC1(OC)CCC1 ZINC000842029017 587990727 /nfs/dbraw/zinc/99/07/27/587990727.db2.gz VKYDYQXBKOLNTR-UHFFFAOYSA-N 0 1 214.309 2.244 20 0 BEADMN CCn1nc(C)c(COc2cc(C)nc(C)c2)n1 ZINC000842034145 587991536 /nfs/dbraw/zinc/99/15/36/587991536.db2.gz PAXHCADZSGDQCX-UHFFFAOYSA-N 0 1 246.314 2.197 20 0 BEADMN CC[C@H](COC(=O)c1cccc2[nH]ncc21)OC ZINC000842095487 587998901 /nfs/dbraw/zinc/99/89/01/587998901.db2.gz UNXXHNQFURTRGT-SECBINFHSA-N 0 1 248.282 2.145 20 0 BEADMN CCC[C@](C)(O)c1nc([C@@H](N)CC(C)C)no1 ZINC000842587077 588044249 /nfs/dbraw/zinc/04/42/49/588044249.db2.gz VLHXVBRDFUIYFE-CABZTGNLSA-N 0 1 241.335 2.123 20 0 BEADMN NC1(c2noc([C@@H]3CCC=CO3)n2)CCCC1 ZINC000842591598 588044720 /nfs/dbraw/zinc/04/47/20/588044720.db2.gz AELXMYOMWALQSU-VIFPVBQESA-N 0 1 235.287 2.163 20 0 BEADMN O=C1C[C@H](C2CCCC2)CN1CN1CCCC1 ZINC000842591975 588044931 /nfs/dbraw/zinc/04/49/31/588044931.db2.gz FWFLKSCULALBJY-ZDUSSCGKSA-N 0 1 236.359 2.078 20 0 BEADMN Cc1cnc(-c2nc([C@@H]3CCCN3)no2)c(C)c1 ZINC000842638101 588047725 /nfs/dbraw/zinc/04/77/25/588047725.db2.gz IBGJUEJYYJGPJG-JTQLQIEISA-N 0 1 244.298 2.173 20 0 BEADMN C[C@H](c1nc([C@@H]2CCCN2)no1)c1ccccn1 ZINC000842637082 588047901 /nfs/dbraw/zinc/04/79/01/588047901.db2.gz QEUCDYTVMUQWDW-ONGXEEELSA-N 0 1 244.298 2.041 20 0 BEADMN Cc1nscc1-c1nc([C@H](N)C(C)C)no1 ZINC000843148891 588086663 /nfs/dbraw/zinc/08/66/63/588086663.db2.gz FRAWWZSPDZTFAW-MRVPVSSYSA-N 0 1 238.316 2.157 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2cc(C3CC3)on2)n1 ZINC000843147550 588086729 /nfs/dbraw/zinc/08/67/29/588086729.db2.gz BFIUPYIBSABZKI-JTQLQIEISA-N 0 1 248.286 2.258 20 0 BEADMN CC[C@H](C)OCc1nc([C@H](N)C(C)C)no1 ZINC000843150149 588087295 /nfs/dbraw/zinc/08/72/95/588087295.db2.gz HHTKMVGUYOVOBW-WCBMZHEXSA-N 0 1 227.308 2.041 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2ccn(C(C)C)n2)n1 ZINC000843149264 588087585 /nfs/dbraw/zinc/08/75/85/588087585.db2.gz LBNAOXHDCBOCJM-SNVBAGLBSA-N 0 1 249.318 2.170 20 0 BEADMN CSCCCCc1nc([C@H](N)C(C)C)no1 ZINC000843149456 588087599 /nfs/dbraw/zinc/08/75/99/588087599.db2.gz NQQQGDVYTCSFQZ-SNVBAGLBSA-N 0 1 243.376 2.411 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2ccnn2C(C)C)n1 ZINC000843148742 588087659 /nfs/dbraw/zinc/08/76/59/588087659.db2.gz DDXTVFVFUBFRNF-SNVBAGLBSA-N 0 1 249.318 2.170 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H](C)OCC2CC2)n1 ZINC000843149719 588087741 /nfs/dbraw/zinc/08/77/41/588087741.db2.gz OWMCIDPESJPWDF-PSASIEDQSA-N 0 1 239.319 2.213 20 0 BEADMN COCCC[C@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000843150852 588087785 /nfs/dbraw/zinc/08/77/85/588087785.db2.gz LICUKMBPMIDCCY-UWVGGRQHSA-N 0 1 241.335 2.256 20 0 BEADMN CC[C@H](C)OCc1nc([C@@H](N)C(C)C)no1 ZINC000843150150 588087804 /nfs/dbraw/zinc/08/78/04/588087804.db2.gz HHTKMVGUYOVOBW-WPRPVWTQSA-N 0 1 227.308 2.041 20 0 BEADMN CCS[C@H](C)c1noc(CNCC2CC2)n1 ZINC000843192465 588091865 /nfs/dbraw/zinc/09/18/65/588091865.db2.gz VUZQTCINFDNCRE-MRVPVSSYSA-N 0 1 241.360 2.383 20 0 BEADMN CNCc1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000843236148 588094933 /nfs/dbraw/zinc/09/49/33/588094933.db2.gz MEYTYIOUJFDLRR-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN Cc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)no1 ZINC000843428558 588108373 /nfs/dbraw/zinc/10/83/73/588108373.db2.gz JZJJJHFVKPFQCO-KLPPZKSPSA-N 0 1 238.331 2.419 20 0 BEADMN C[C@H]1C[C@H](NCc2ccnc(Cl)c2F)CO1 ZINC000843431665 588109108 /nfs/dbraw/zinc/10/91/08/588109108.db2.gz BEQPJHULPRVJDH-CBAPKCEASA-N 0 1 244.697 2.141 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCNC[C@@H]1CCC ZINC000843453931 588111823 /nfs/dbraw/zinc/11/18/23/588111823.db2.gz MSNSSNMRFBXUMY-XSNHNAGMSA-N 0 1 238.375 2.333 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1(F)CC1 ZINC000843585945 588126671 /nfs/dbraw/zinc/12/66/71/588126671.db2.gz IZHBTXLNDRGUPD-UHFFFAOYSA-N 0 1 237.209 2.143 20 0 BEADMN CCON(C(=O)c1ccc(O)c(F)c1)C(C)C ZINC000844075807 588160510 /nfs/dbraw/zinc/16/05/10/588160510.db2.gz UXELGTSCWWJJLX-UHFFFAOYSA-N 0 1 241.262 2.333 20 0 BEADMN CCON(C(=O)c1cccc2c[nH]nc21)C(C)C ZINC000844082555 588162023 /nfs/dbraw/zinc/16/20/23/588162023.db2.gz QBGVAXIJDLEPBS-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CCON(C(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC000844083369 588162881 /nfs/dbraw/zinc/16/28/81/588162881.db2.gz YGMZUXWBPBXQDT-UHFFFAOYSA-N 0 1 237.303 2.089 20 0 BEADMN CCC(=O)CCN1C[C@@H](CC)OC[C@H]1CC ZINC000844387844 588188841 /nfs/dbraw/zinc/18/88/41/588188841.db2.gz UCMNWXNVKCOYJT-DGCLKSJQSA-N 0 1 227.348 2.245 20 0 BEADMN CCN(C/C=C\Cl)[C@H]1CCCOC1 ZINC000844403552 588190042 /nfs/dbraw/zinc/19/00/42/588190042.db2.gz GLNQPUGLZJRCSP-OAQKJQOQSA-N 0 1 203.713 2.240 20 0 BEADMN FC1(F)[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000844459234 588196670 /nfs/dbraw/zinc/19/66/70/588196670.db2.gz QWMIHVWAPDTRTK-DTORHVGOSA-N 0 1 215.268 2.445 20 0 BEADMN Cc1oncc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000844471856 588197965 /nfs/dbraw/zinc/19/79/65/588197965.db2.gz SOVFTPYKMJUMJG-SNVBAGLBSA-N 0 1 228.242 2.214 20 0 BEADMN CC1=C[C@H](C)CN(CN2C(=O)CC23CCCC3)C1 ZINC000844703335 588214105 /nfs/dbraw/zinc/21/41/05/588214105.db2.gz CVMHKTMIPCFTJP-LBPRGKRZSA-N 0 1 248.370 2.387 20 0 BEADMN C[C@H](N[C@H]1CNc2ccccc2C1)c1ncc[nH]1 ZINC000844919948 588219285 /nfs/dbraw/zinc/21/92/85/588219285.db2.gz JBPVJZDRKDBHJJ-CMPLNLGQSA-N 0 1 242.326 2.097 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])CC2CC2)c(C)o1 ZINC000844934697 588219595 /nfs/dbraw/zinc/21/95/95/588219595.db2.gz DMBBWRBBWWNAMD-UHFFFAOYSA-N 0 1 237.299 2.193 20 0 BEADMN CS[C@@H](C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733674 588242745 /nfs/dbraw/zinc/24/27/45/588242745.db2.gz CSLKLBBIPXKRJI-UWVGGRQHSA-N 0 1 245.388 2.154 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCC(F)F ZINC000845736099 588242915 /nfs/dbraw/zinc/24/29/15/588242915.db2.gz OOSXIISUGWYFSI-VIFPVBQESA-N 0 1 249.301 2.448 20 0 BEADMN Cc1ccoc1C(=O)OC[C@@]12CC[N@@H+](C1)CCC2 ZINC000845793821 588245379 /nfs/dbraw/zinc/24/53/79/588245379.db2.gz KVLIINWRWHEEIR-AWEZNQCLSA-N 0 1 249.310 2.231 20 0 BEADMN Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)nn1 ZINC000846117023 588257776 /nfs/dbraw/zinc/25/77/76/588257776.db2.gz LYCBDVWBSQTLRD-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C/C=C/Cl ZINC000846274236 588263745 /nfs/dbraw/zinc/26/37/45/588263745.db2.gz JZVVKYLMVVJITG-XNPJLODASA-N 0 1 219.712 2.170 20 0 BEADMN COCCNc1ccc2cnccc2c1 ZINC000846745575 588284444 /nfs/dbraw/zinc/28/44/44/588284444.db2.gz JPHSTBKOBCIAOZ-UHFFFAOYSA-N 0 1 202.257 2.293 20 0 BEADMN CN(CC1(Br)CC1)C1CC1 ZINC000846773687 588287506 /nfs/dbraw/zinc/28/75/06/588287506.db2.gz IUYMIBYIEOFWDW-UHFFFAOYSA-N 0 1 204.111 2.008 20 0 BEADMN CCN(CCOC)Cc1cnc(Cl)c(F)c1 ZINC000846783885 588288162 /nfs/dbraw/zinc/28/81/62/588288162.db2.gz SNVNVNJDIUIWJU-UHFFFAOYSA-N 0 1 246.713 2.342 20 0 BEADMN C[C@H]1CN(CC2(Br)CC2)CCCO1 ZINC000846794811 588288258 /nfs/dbraw/zinc/28/82/58/588288258.db2.gz BESSUAZVHJVBJI-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN C[C@@H]1CCC[N@H+]1CC1(Br)CC1 ZINC000846807789 588289821 /nfs/dbraw/zinc/28/98/21/588289821.db2.gz DDDQFDKIFHGWRJ-MRVPVSSYSA-N 0 1 218.138 2.398 20 0 BEADMN C[C@H]1CCOCCN1CC1(Br)CC1 ZINC000846846436 588292106 /nfs/dbraw/zinc/29/21/06/588292106.db2.gz FYYXFDLZIUSTNM-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN BrC1(CN2CC=CCC2)CC1 ZINC000846848966 588292917 /nfs/dbraw/zinc/29/29/17/588292917.db2.gz QIJWOKBYESMJFY-UHFFFAOYSA-N 0 1 216.122 2.176 20 0 BEADMN CON1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000846978644 588300125 /nfs/dbraw/zinc/30/01/25/588300125.db2.gz YUSUNVVHQCIROG-ZDUSSCGKSA-N 0 1 234.343 2.235 20 0 BEADMN CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847311880 588310591 /nfs/dbraw/zinc/31/05/91/588310591.db2.gz CVIHFAUCINEYCT-LLVKDONJSA-N 0 1 237.347 2.285 20 0 BEADMN CC(C)(C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015505 588347814 /nfs/dbraw/zinc/34/78/14/588347814.db2.gz NKXJJTCMPQDZHL-UHFFFAOYSA-N 0 1 222.288 2.376 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])s1 ZINC000006301934 588358594 /nfs/dbraw/zinc/35/85/94/588358594.db2.gz DJBSWGSMLRTOJC-SNVBAGLBSA-N 0 1 225.313 2.106 20 0 BEADMN OC1(CCOc2ccnc3c2CCCC3)CC1 ZINC000848525060 588392612 /nfs/dbraw/zinc/39/26/12/588392612.db2.gz KMWXIGKVSJHLFH-UHFFFAOYSA-N 0 1 233.311 2.254 20 0 BEADMN C[C@H](NCc1cnc(Cl)n1C)c1ccc[nH]1 ZINC000848545591 588395053 /nfs/dbraw/zinc/39/50/53/588395053.db2.gz YVHLXQCCGTZIRQ-QMMMGPOBSA-N 0 1 238.722 2.252 20 0 BEADMN C[C@H]1CN(Cc2cnc(Cl)n2C)C[C@H]1C ZINC000848885829 588416990 /nfs/dbraw/zinc/41/69/90/588416990.db2.gz ADHLHBJRJIARRC-DTORHVGOSA-N 0 1 227.739 2.161 20 0 BEADMN Cn1c(CN2CCCC2(C)C)cnc1Cl ZINC000848885367 588417012 /nfs/dbraw/zinc/41/70/12/588417012.db2.gz NDFRXHRRVRQRKK-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN CC(C)c1ccccc1CN1CCNC(=O)CC1 ZINC000848884554 588417118 /nfs/dbraw/zinc/41/71/18/588417118.db2.gz CVPPCDWITVPHLI-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN Cn1c(CN2CCC[C@@H]2C2CC2)cnc1Cl ZINC000848886835 588417136 /nfs/dbraw/zinc/41/71/36/588417136.db2.gz WWVZSLLMBSTEFO-LLVKDONJSA-N 0 1 239.750 2.448 20 0 BEADMN CN(C)C(=O)[C@H](N[C@H]1C=CCC1)c1ccccc1 ZINC000849323052 588472539 /nfs/dbraw/zinc/47/25/39/588472539.db2.gz MAZPMGCWNSAUFB-UONOGXRCSA-N 0 1 244.338 2.124 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2CCCC2)n[nH]1 ZINC000849627413 588481423 /nfs/dbraw/zinc/48/14/23/588481423.db2.gz FJBFYQGREHGNNK-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CC(C)C)n[nH]1 ZINC000849629666 588482037 /nfs/dbraw/zinc/48/20/37/588482037.db2.gz YKWPBVJURQYJAC-QMMMGPOBSA-N 0 1 225.292 2.017 20 0 BEADMN CCCCC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849630645 588482044 /nfs/dbraw/zinc/48/20/44/588482044.db2.gz XQDUGCBDKHLJHO-QMMMGPOBSA-N 0 1 225.292 2.162 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CC(C)(C)C)n[nH]1 ZINC000849631452 588482655 /nfs/dbraw/zinc/48/26/55/588482655.db2.gz CCSZUTFUWGZJGC-QMMMGPOBSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H](C)CC)n[nH]1 ZINC000849649853 588484013 /nfs/dbraw/zinc/48/40/13/588484013.db2.gz WGXYFJKJFZZWKD-HTQZYQBOSA-N 0 1 225.292 2.017 20 0 BEADMN Cc1cc(CC(=O)OCCCC2CCC2)n[nH]1 ZINC000849740999 588492209 /nfs/dbraw/zinc/49/22/09/588492209.db2.gz DULQCFNDUTWTBX-UHFFFAOYSA-N 0 1 236.315 2.384 20 0 BEADMN COc1cncc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000850229143 588530476 /nfs/dbraw/zinc/53/04/76/588530476.db2.gz UXJVUJJSPGVUJD-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN CC[C@@H]1C[C@H](NCc2noc3ccccc32)CO1 ZINC000850339206 588537291 /nfs/dbraw/zinc/53/72/91/588537291.db2.gz MCWYJEJXEKODBN-WDEREUQCSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@@H]1C[C@H](NCc2cccnc2Cl)[C@@H](C)O1 ZINC000850351901 588537891 /nfs/dbraw/zinc/53/78/91/588537891.db2.gz JNIDRENXJPDFFR-KKZNHRDASA-N 0 1 240.734 2.391 20 0 BEADMN CCc1nn(C)c(Cl)c1CN[C@@H]1C=CCC1 ZINC000850359095 588540158 /nfs/dbraw/zinc/54/01/58/588540158.db2.gz WJUUTYXGJCZUJB-SECBINFHSA-N 0 1 239.750 2.444 20 0 BEADMN Cn1cccc1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850371762 588541229 /nfs/dbraw/zinc/54/12/29/588541229.db2.gz LQFNGWJWSIDFOG-CABCVRRESA-N 0 1 242.322 2.293 20 0 BEADMN Fc1cccc(CN[C@@H]2COC3(CCC3)C2)n1 ZINC000850446671 588547628 /nfs/dbraw/zinc/54/76/28/588547628.db2.gz BGWCVNQWCLCBGB-NSHDSACASA-N 0 1 236.290 2.022 20 0 BEADMN C[C@H](CSCCF)N[C@@H]1CCn2ccnc21 ZINC000850471279 588549323 /nfs/dbraw/zinc/54/93/23/588549323.db2.gz PEGLBLBHZHXACT-NXEZZACHSA-N 0 1 243.351 2.009 20 0 BEADMN c1csc([C@H](N[C@@H]2C=CCC2)c2nnc[nH]2)c1 ZINC000850509548 588554645 /nfs/dbraw/zinc/55/46/45/588554645.db2.gz RJRASDWZGBTUDF-KOLCDFICSA-N 0 1 246.339 2.264 20 0 BEADMN c1csc([C@@H](N[C@H]2C=CCC2)c2nnc[nH]2)c1 ZINC000850509547 588554793 /nfs/dbraw/zinc/55/47/93/588554793.db2.gz RJRASDWZGBTUDF-GXSJLCMTSA-N 0 1 246.339 2.264 20 0 BEADMN c1cn2c(n1)[C@H](N[C@@H]1COC3(CCC3)C1)CCC2 ZINC000850523316 588556898 /nfs/dbraw/zinc/55/68/98/588556898.db2.gz FWGQFYAFPXMRFR-NWDGAFQWSA-N 0 1 247.342 2.019 20 0 BEADMN CC[C@H](N[C@H]1COC2(CCC2)C1)c1nccn1C ZINC000850526816 588557360 /nfs/dbraw/zinc/55/73/60/588557360.db2.gz XBBYSVJOOCBXKG-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN O=C(OCc1c[nH]nn1)C1CCC(C2CC2)CC1 ZINC000851017103 588584414 /nfs/dbraw/zinc/58/44/14/588584414.db2.gz BJMSSWPZRUKFEE-UHFFFAOYSA-N 0 1 249.314 2.064 20 0 BEADMN O=C(OCc1c[nH]nn1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000851017053 588584451 /nfs/dbraw/zinc/58/44/51/588584451.db2.gz ACQFCKMTPXFMQX-GHMZBOCLSA-N 0 1 249.314 2.064 20 0 BEADMN O=C(CCCF)OCc1cc(C2CC2)[nH]n1 ZINC000851119437 588592046 /nfs/dbraw/zinc/59/20/46/588592046.db2.gz QQQJLZNKJZILRW-UHFFFAOYSA-N 0 1 226.251 2.080 20 0 BEADMN CC(C)C(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851464995 588606331 /nfs/dbraw/zinc/60/63/31/588606331.db2.gz BLYDWHYCAQPSJD-AWEZNQCLSA-N 0 1 247.338 2.460 20 0 BEADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCF ZINC000851708815 588614835 /nfs/dbraw/zinc/61/48/35/588614835.db2.gz ZVUACUMEFZQXAS-RYUDHWBXSA-N 0 1 237.274 2.246 20 0 BEADMN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCF ZINC000851708815 588614836 /nfs/dbraw/zinc/61/48/36/588614836.db2.gz ZVUACUMEFZQXAS-RYUDHWBXSA-N 0 1 237.274 2.246 20 0 BEADMN Cc1ccc(CN(C)CCOC(F)F)o1 ZINC000851719303 588616837 /nfs/dbraw/zinc/61/68/37/588616837.db2.gz XXSDGKGUVYZLCH-UHFFFAOYSA-N 0 1 219.231 2.259 20 0 BEADMN Cc1occc1CN(C)C[C@H]1COC(C)(C)O1 ZINC000851736279 588620593 /nfs/dbraw/zinc/62/05/93/588620593.db2.gz OUZQOTAFNIBCGT-LBPRGKRZSA-N 0 1 239.315 2.171 20 0 BEADMN ClC(Cl)=CCN1CCN(C2CC2)CC1 ZINC000851737748 588620776 /nfs/dbraw/zinc/62/07/76/588620776.db2.gz NALRSLRAFCPMBV-UHFFFAOYSA-N 0 1 235.158 2.085 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@H]1COC(C)(C)O1 ZINC000851738055 588620973 /nfs/dbraw/zinc/62/09/73/588620973.db2.gz AGSDXXMCHCXPBH-QWRGUYRKSA-N 0 1 239.315 2.424 20 0 BEADMN CCN(Cc1cccc(F)n1)C[C@@H]1CCCO1 ZINC000851740655 588621161 /nfs/dbraw/zinc/62/11/61/588621161.db2.gz VASPMEDIHZNMBB-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(CCOC(F)F)CCC(F)(F)F ZINC000851744923 588621744 /nfs/dbraw/zinc/62/17/44/588621744.db2.gz RXJCHQCAEHTQSS-UHFFFAOYSA-N 0 1 235.196 2.500 20 0 BEADMN CC(C)(C)[C@H]1CCCN1Cc1cnon1 ZINC000851752129 588623642 /nfs/dbraw/zinc/62/36/42/588623642.db2.gz AGERHVVYHWPADJ-SNVBAGLBSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1CCOC(F)F ZINC000851777487 588626777 /nfs/dbraw/zinc/62/67/77/588626777.db2.gz SYKQXMCSMUNOTH-SFYZADRCSA-N 0 1 225.304 2.051 20 0 BEADMN Cn1cccc1[C@H]1CCCN1CCOC(F)F ZINC000851819996 588633355 /nfs/dbraw/zinc/63/33/55/588633355.db2.gz OBZGAPOPVARQFM-LLVKDONJSA-N 0 1 244.285 2.401 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1cnon1 ZINC000851854677 588635379 /nfs/dbraw/zinc/63/53/79/588635379.db2.gz WPHRDDVVQJHQQQ-LBPRGKRZSA-N 0 1 223.320 2.470 20 0 BEADMN CN(Cc1cccc(F)n1)[C@@H]1CCSC1 ZINC000851868870 588637073 /nfs/dbraw/zinc/63/70/73/588637073.db2.gz WQTHYXKZGOTKOF-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN CN(Cc1cccc(F)n1)[C@H]1CCSC1 ZINC000851868869 588637109 /nfs/dbraw/zinc/63/71/09/588637109.db2.gz WQTHYXKZGOTKOF-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN C[C@H](c1cccnc1)N(C)CCOC(F)F ZINC000851873400 588637881 /nfs/dbraw/zinc/63/78/81/588637881.db2.gz XIIYMZUPLIMVQM-SECBINFHSA-N 0 1 230.258 2.314 20 0 BEADMN COC1(C)CCN(Cc2cccc(F)n2)CC1 ZINC000851905424 588642069 /nfs/dbraw/zinc/64/20/69/588642069.db2.gz LNFDTHGPDNEMAF-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCCOC(F)F ZINC000851902915 588642201 /nfs/dbraw/zinc/64/22/01/588642201.db2.gz PROISCTVAXINPS-ZCFIWIBFSA-N 0 1 234.246 2.181 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@@H](C)c2nnc(C)s2)C1 ZINC000851935652 588646017 /nfs/dbraw/zinc/64/60/17/588646017.db2.gz FRLQUJPZMBOVDO-UJNFCWOMSA-N 0 1 241.360 2.065 20 0 BEADMN FC(F)OCCN1CCC[C@H](OCC2CC2)C1 ZINC000851954567 588647437 /nfs/dbraw/zinc/64/74/37/588647437.db2.gz LTXWZYDJFPLHHI-NSHDSACASA-N 0 1 249.301 2.117 20 0 BEADMN O=C1OCC[C@@]12CCCN2CCCC1CCC1 ZINC000851956807 588647880 /nfs/dbraw/zinc/64/78/80/588647880.db2.gz ILBVKBXKIJGBJA-AWEZNQCLSA-N 0 1 237.343 2.348 20 0 BEADMN CC1(C)CN(CCOC(F)F)CC(C)(C)O1 ZINC000851973103 588650121 /nfs/dbraw/zinc/65/01/21/588650121.db2.gz VMPBKXQURPJANO-UHFFFAOYSA-N 0 1 237.290 2.115 20 0 BEADMN C[C@@H]1CN(Cc2cnon2)CCc2ccccc21 ZINC000852213186 588673057 /nfs/dbraw/zinc/67/30/57/588673057.db2.gz HHLOJMKEUYQRPX-LLVKDONJSA-N 0 1 243.310 2.231 20 0 BEADMN CN(Cc1csc(Cl)n1)Cc1cnc[nH]1 ZINC000852288255 588675939 /nfs/dbraw/zinc/67/59/39/588675939.db2.gz MGHHAWDFWXPDPF-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@]1(C)CC1(Cl)Cl ZINC000852288213 588676014 /nfs/dbraw/zinc/67/60/14/588676014.db2.gz LNOTUKCCIZHPQF-VIFPVBQESA-N 0 1 248.157 2.425 20 0 BEADMN CC[C@H](C)[N@@H+](CC)CC(=O)OCC(C)C ZINC000852290176 588676279 /nfs/dbraw/zinc/67/62/79/588676279.db2.gz GFDWXCPDRICJSB-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H](C)N(CC)CC(=O)OCC(C)C ZINC000852290176 588676280 /nfs/dbraw/zinc/67/62/80/588676280.db2.gz GFDWXCPDRICJSB-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)CC(=O)OCC(C)C ZINC000852290175 588676577 /nfs/dbraw/zinc/67/65/77/588676577.db2.gz GFDWXCPDRICJSB-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)OCC(C)C ZINC000852290175 588676578 /nfs/dbraw/zinc/67/65/78/588676578.db2.gz GFDWXCPDRICJSB-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN c1ccc2[nH]c(CN3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000852634888 588693356 /nfs/dbraw/zinc/69/33/56/588693356.db2.gz KAUVVSRADGWOIQ-QWRGUYRKSA-N 0 1 227.311 2.405 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C2CCC2)C1 ZINC000852672430 588694924 /nfs/dbraw/zinc/69/49/24/588694924.db2.gz BUCKUTFTSCWIHK-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN CCCCCCN1CCc2nccnc2C1 ZINC000852699565 588696492 /nfs/dbraw/zinc/69/64/92/588696492.db2.gz RTCNKKLYMTXYOB-UHFFFAOYSA-N 0 1 219.332 2.415 20 0 BEADMN CCn1ncc(C[N@@H+](CCC2CC2)CC2CC2)n1 ZINC000852716741 588697775 /nfs/dbraw/zinc/69/77/75/588697775.db2.gz RIWNMHFJLDQALG-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCn1ncc(CN(CCC2CC2)CC2CC2)n1 ZINC000852716741 588697776 /nfs/dbraw/zinc/69/77/76/588697776.db2.gz RIWNMHFJLDQALG-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CC[N@@H+](Cc1cccnc1Cl)[C@@H](C)C(=O)[O-] ZINC000852729939 588698335 /nfs/dbraw/zinc/69/83/35/588698335.db2.gz LZNCBHWHCQDNHF-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN COCC1(NCc2nccc(C)n2)CCCCC1 ZINC000852773170 588701386 /nfs/dbraw/zinc/70/13/86/588701386.db2.gz UFJHNHCLYSTLIS-UHFFFAOYSA-N 0 1 249.358 2.224 20 0 BEADMN Cc1cnc(CN2CC3CC2(C)C3)s1 ZINC000852785585 588702431 /nfs/dbraw/zinc/70/24/31/588702431.db2.gz BVKZFJTXGXTQHX-UHFFFAOYSA-N 0 1 208.330 2.436 20 0 BEADMN O=C(CCc1nc[nH]n1)O[C@@H]1CCC=CCCC1 ZINC000861231933 589154090 /nfs/dbraw/zinc/15/40/90/589154090.db2.gz XIMYUGORXRMBOS-LLVKDONJSA-N 0 1 249.314 2.169 20 0 BEADMN CCC(CC)CC(=O)OCCN1CCC1 ZINC000861387219 589162527 /nfs/dbraw/zinc/16/25/27/589162527.db2.gz BGYWPNBUYIZLRA-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN O=C(/C=C/c1cccs1)OCCN1CCC1 ZINC000861385579 589161964 /nfs/dbraw/zinc/16/19/64/589161964.db2.gz WSBFTGRGDPMFKR-SNAWJCMRSA-N 0 1 237.324 2.010 20 0 BEADMN CCCC(CCC)C(=O)OCCN1CCC1 ZINC000861389028 589162441 /nfs/dbraw/zinc/16/24/41/589162441.db2.gz VWAARWGVCYCWIK-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CC(C)(C(=O)OCCN1CCC1)c1ccccc1 ZINC000861386227 589162477 /nfs/dbraw/zinc/16/24/77/589162477.db2.gz QBJQIBGJCBJXPF-UHFFFAOYSA-N 0 1 247.338 2.213 20 0 BEADMN CC(C)(C)CCCC(=O)OCCN1CCC1 ZINC000861387445 589162553 /nfs/dbraw/zinc/16/25/53/589162553.db2.gz ZSSXRXVKHQGENO-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@H](C(=O)OCCN1CCC1)c1cccs1 ZINC000861387954 589163026 /nfs/dbraw/zinc/16/30/26/589163026.db2.gz PCEVBFSBBAZGJG-JTQLQIEISA-N 0 1 239.340 2.101 20 0 BEADMN C[C@@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389685 589163372 /nfs/dbraw/zinc/16/33/72/589163372.db2.gz UPHKBJPRJKPKCF-GFCCVEGCSA-N 0 1 233.311 2.039 20 0 BEADMN CC1(C(=O)OCCN2CCC2)CCCCC1 ZINC000861389379 589163424 /nfs/dbraw/zinc/16/34/24/589163424.db2.gz KDRTWXGDQQFEOM-UHFFFAOYSA-N 0 1 225.332 2.206 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861391187 589164222 /nfs/dbraw/zinc/16/42/22/589164222.db2.gz QBJXZOJCSXPTEB-NEPJUHHUSA-N 0 1 225.332 2.062 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)OCCN2CCC2)C[C@@H]1C ZINC000861390774 589164305 /nfs/dbraw/zinc/16/43/05/589164305.db2.gz LNQFIUXXTFGJKT-AGIUHOORSA-N 0 1 239.359 2.308 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861391492 589164775 /nfs/dbraw/zinc/16/47/75/589164775.db2.gz DRZZHOAATUHWNU-STQMWFEESA-N 0 1 239.359 2.452 20 0 BEADMN CC1(C)CCCC[C@H]1C(=O)OCCN1CCC1 ZINC000861391727 589164796 /nfs/dbraw/zinc/16/47/96/589164796.db2.gz ITBFRVXYIPRVLU-LBPRGKRZSA-N 0 1 239.359 2.452 20 0 BEADMN Cc1c(CN2CCCO[C@@H](C)C2)ccnc1F ZINC000862238719 589196074 /nfs/dbraw/zinc/19/60/74/589196074.db2.gz GXOGVNNYZKQMBO-JTQLQIEISA-N 0 1 238.306 2.140 20 0 BEADMN Cc1c(CN2CCCO[C@H](C)C2)ccnc1F ZINC000862238720 589196180 /nfs/dbraw/zinc/19/61/80/589196180.db2.gz GXOGVNNYZKQMBO-SNVBAGLBSA-N 0 1 238.306 2.140 20 0 BEADMN CCn1cc(CNCc2ccnc(F)c2C)cn1 ZINC000862279720 589198555 /nfs/dbraw/zinc/19/85/55/589198555.db2.gz BMZFWRUUNAPLSJ-UHFFFAOYSA-N 0 1 248.305 2.035 20 0 BEADMN CCN(Cc1ccnc(F)c1C)[C@H]1CCOC1 ZINC000862373504 589205513 /nfs/dbraw/zinc/20/55/13/589205513.db2.gz FPSZKCHRZJKFAL-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCCCN(CC)CN1C[C@H](CC)CC1=O ZINC000119181161 589247012 /nfs/dbraw/zinc/24/70/12/589247012.db2.gz KSFBWNNGMPFYEH-GFCCVEGCSA-N 0 1 226.364 2.324 20 0 BEADMN CC[C@H]1CC(=O)N(CN(C)CCC(C)C)C1 ZINC000119239425 589252427 /nfs/dbraw/zinc/25/24/27/589252427.db2.gz QYIXMCQPTIMSBV-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2ccns2)C1 ZINC000864054704 589335712 /nfs/dbraw/zinc/33/57/12/589335712.db2.gz ZJADYSRYXBMLLW-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000864072047 589339109 /nfs/dbraw/zinc/33/91/09/589339109.db2.gz MCYBBGXJCYLGQM-YGRLFVJLSA-N 0 1 238.375 2.164 20 0 BEADMN CC1CC(CNC(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000864074512 589340059 /nfs/dbraw/zinc/34/00/59/589340059.db2.gz WXHMGFSNLGLTFR-HTAVTVPLSA-N 0 1 238.375 2.022 20 0 BEADMN CCN(CC)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864408140 589359555 /nfs/dbraw/zinc/35/95/55/589359555.db2.gz LYKWDMWDIBPPJL-UHFFFAOYSA-N 0 1 241.722 2.423 20 0 BEADMN CC(C)(NC(=O)C(F)(F)F)[C@@H]1CCCCO1 ZINC000864494063 589374744 /nfs/dbraw/zinc/37/47/44/589374744.db2.gz SWBXQNDUZVMTAG-ZETCQYMHSA-N 0 1 239.237 2.013 20 0 BEADMN CC[C@@H](COC)NCc1cccnc1Cl ZINC000120201909 589392763 /nfs/dbraw/zinc/39/27/63/589392763.db2.gz IMOOGVRMOQEAQD-JTQLQIEISA-N 0 1 228.723 2.250 20 0 BEADMN CC/C=C(\F)C(=O)Nc1c(C)n[nH]c1C ZINC000864899772 589400268 /nfs/dbraw/zinc/40/02/68/589400268.db2.gz PVLOKDXLRIYPJP-YVMONPNESA-N 0 1 211.240 2.228 20 0 BEADMN C[C@@H]1CN(c2ccncc2C(F)(F)F)CCO1 ZINC000865423657 589434737 /nfs/dbraw/zinc/43/47/37/589434737.db2.gz NGUDWMXYTZOXIX-MRVPVSSYSA-N 0 1 246.232 2.326 20 0 BEADMN c1nc(CNCCOC2CCCC2)cn1C1CC1 ZINC000865434416 589435584 /nfs/dbraw/zinc/43/55/84/589435584.db2.gz JEJHWLPPABHCMF-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN C[C@H](O)CCNCc1c(Cl)cncc1Cl ZINC000865463594 589437768 /nfs/dbraw/zinc/43/77/68/589437768.db2.gz AZWJXANCQSVEAW-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN CSC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865468274 589438390 /nfs/dbraw/zinc/43/83/90/589438390.db2.gz FXUHGACSAOXWME-VIFPVBQESA-N 0 1 225.361 2.059 20 0 BEADMN COCC1(NCc2cnc(Cl)c(F)c2)CC1 ZINC000865494100 589440919 /nfs/dbraw/zinc/44/09/19/589440919.db2.gz QTCUHGITHNGUGR-UHFFFAOYSA-N 0 1 244.697 2.143 20 0 BEADMN CO[C@H](C)CCNc1ccncc1C(F)(F)F ZINC000865499209 589441515 /nfs/dbraw/zinc/44/15/15/589441515.db2.gz GRTVSKVOGLXTFU-MRVPVSSYSA-N 0 1 248.248 2.359 20 0 BEADMN CCC[C@]1(NCc2cn(C3CC3)cn2)CCOC1 ZINC000865564583 589446825 /nfs/dbraw/zinc/44/68/25/589446825.db2.gz HDCDUJSLVJBTIR-AWEZNQCLSA-N 0 1 249.358 2.267 20 0 BEADMN CCC[C@@]1(NCc2cn(C3CC3)cn2)CCOC1 ZINC000865564584 589446871 /nfs/dbraw/zinc/44/68/71/589446871.db2.gz HDCDUJSLVJBTIR-CQSZACIVSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)on1 ZINC000865571496 589447832 /nfs/dbraw/zinc/44/78/32/589447832.db2.gz OBLNBPQCGVHVNS-BXUZGUMPSA-N 0 1 246.310 2.195 20 0 BEADMN CCC[C@@H](CNCc1cn(C2CC2)cn1)OC ZINC000865584063 589449373 /nfs/dbraw/zinc/44/93/73/589449373.db2.gz YXRBZYLRWYPUFH-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1cn(C2CC2)cn1)C1CC1 ZINC000865595023 589449826 /nfs/dbraw/zinc/44/98/26/589449826.db2.gz YCMYLLDKAUDWCL-YGRLFVJLSA-N 0 1 249.358 2.121 20 0 BEADMN COC1([C@H](C)NCc2cn(C3CC3)cn2)CCC1 ZINC000865604473 589450373 /nfs/dbraw/zinc/45/03/73/589450373.db2.gz STBKPWLWVYIEOK-NSHDSACASA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865643940 589454164 /nfs/dbraw/zinc/45/41/64/589454164.db2.gz VDJHOOQQXCBTMV-DYNIEEOBSA-N 0 1 249.358 2.120 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cn(C2CC2)cn1 ZINC000865643944 589454223 /nfs/dbraw/zinc/45/42/23/589454223.db2.gz VDJHOOQQXCBTMV-KZWBYHQPSA-N 0 1 249.358 2.120 20 0 BEADMN Cc1ncc(CNCC(C)(C)F)s1 ZINC000865654947 589454662 /nfs/dbraw/zinc/45/46/62/589454662.db2.gz WPQILXJLLIKHLA-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN COc1cncc(CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000865697288 589456975 /nfs/dbraw/zinc/45/69/75/589456975.db2.gz WESKVHDIMYQVBY-QWHCGFSZSA-N 0 1 238.306 2.461 20 0 BEADMN CCn1nc(C)c(CN[C@@]23C[C@@H]2CCCC3)n1 ZINC000865704689 589457394 /nfs/dbraw/zinc/45/73/94/589457394.db2.gz XWUYFSOLLWQNAN-AAEUAGOBSA-N 0 1 234.347 2.029 20 0 BEADMN CS[C@H]1C[C@H](NCc2csc(C)n2)C1 ZINC000865734569 589459562 /nfs/dbraw/zinc/45/95/62/589459562.db2.gz FIUCBETUTIEVMT-CZMCAQCFSA-N 0 1 228.386 2.435 20 0 BEADMN Fc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000865752922 589460624 /nfs/dbraw/zinc/46/06/24/589460624.db2.gz FCDXISFASWXRIM-HTQZYQBOSA-N 0 1 234.196 2.261 20 0 BEADMN CC(C)(C)c1ccc(CN[C@H]2CCOC2)o1 ZINC000865815050 589463029 /nfs/dbraw/zinc/46/30/29/589463029.db2.gz SNUONBKORYRTOM-JTQLQIEISA-N 0 1 223.316 2.456 20 0 BEADMN Cc1c[nH]nc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000865856394 589465196 /nfs/dbraw/zinc/46/51/96/589465196.db2.gz HNUVBWSIVYYRRR-ZDUSSCGKSA-N 0 1 249.358 2.300 20 0 BEADMN FC(F)(F)c1cnccc1N[C@@H]1CC12CC2 ZINC000865889549 589467532 /nfs/dbraw/zinc/46/75/32/589467532.db2.gz NHRCEOZZFLQTMR-SECBINFHSA-N 0 1 228.217 2.487 20 0 BEADMN F[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000866047723 589474039 /nfs/dbraw/zinc/47/40/39/589474039.db2.gz GRCFFPVPTRYGCI-SFYZADRCSA-N 0 1 235.266 2.046 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(C)c1 ZINC000866449782 589493924 /nfs/dbraw/zinc/49/39/24/589493924.db2.gz HWSAPCNKMDPYAN-ADEWGFFLSA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@@H](NCc1ccnc(F)c1)c1cnn(C)c1 ZINC000866474540 589494840 /nfs/dbraw/zinc/49/48/40/589494840.db2.gz WUESDJHXCVHNEG-GFCCVEGCSA-N 0 1 248.305 2.195 20 0 BEADMN Cc1cc([C@H](C)NCc2ccnc(F)c2)n(C)n1 ZINC000866473531 589494881 /nfs/dbraw/zinc/49/48/81/589494881.db2.gz FSTHBSRQAQPFEP-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN CCn1cc([C@H](C)N[C@H](C)c2ccnn2C)cn1 ZINC000866612450 589504686 /nfs/dbraw/zinc/50/46/86/589504686.db2.gz IZYAPSKVXWSUNK-WDEREUQCSA-N 0 1 247.346 2.048 20 0 BEADMN CCn1cc([C@H](C)N[C@@H](C)c2ccnn2C)cn1 ZINC000866612449 589504690 /nfs/dbraw/zinc/50/46/90/589504690.db2.gz IZYAPSKVXWSUNK-QWRGUYRKSA-N 0 1 247.346 2.048 20 0 BEADMN CC[C@H](C[C@@H](C)O)N[C@H](C)c1cc(C)on1 ZINC000866634276 589506063 /nfs/dbraw/zinc/50/60/63/589506063.db2.gz PMOXPWXFYVWCST-FBIMIBRVSA-N 0 1 226.320 2.183 20 0 BEADMN C[C@@H]1C[C@H](C(=O)NOC2CCCCC2)[C@H](C)O1 ZINC000867548345 589525282 /nfs/dbraw/zinc/52/52/82/589525282.db2.gz SDMAJLHEKFLVSN-SCVCMEIPSA-N 0 1 241.331 2.180 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccncc2CC)no1 ZINC000122276752 589574294 /nfs/dbraw/zinc/57/42/94/589574294.db2.gz NNBYEIXRUXNBGA-VIFPVBQESA-N 0 1 246.314 2.365 20 0 BEADMN CC/C=C(/F)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000869072797 589585841 /nfs/dbraw/zinc/58/58/41/589585841.db2.gz RZCKPNGOUHBOIN-DREKTBMASA-N 0 1 242.338 2.193 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1Cl ZINC000122798700 589632177 /nfs/dbraw/zinc/63/21/77/589632177.db2.gz WYGOPMVVIJNVEC-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n[nH]1 ZINC000869885571 589635375 /nfs/dbraw/zinc/63/53/75/589635375.db2.gz DUKWRUJYJZSNHP-JIEMUDQDSA-N 0 1 249.314 2.009 20 0 BEADMN CC[C@H](CC(=O)OCc1c[nH]nn1)C(C)(C)C ZINC000870352137 589660045 /nfs/dbraw/zinc/66/00/45/589660045.db2.gz GBPAKCJFUYMZGQ-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cnccn1 ZINC000871932706 589834221 /nfs/dbraw/zinc/83/42/21/589834221.db2.gz ZLCIERDGXLZPDG-ZJQBRPOHSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cnccn1 ZINC000871932705 589834480 /nfs/dbraw/zinc/83/44/80/589834480.db2.gz ZLCIERDGXLZPDG-OPDFLTKYSA-N 0 1 247.342 2.085 20 0 BEADMN CC(C)CCc1cc(=O)n(CC2CC2)[nH]1 ZINC000871943336 589836988 /nfs/dbraw/zinc/83/69/88/589836988.db2.gz GWXIJZHIFUDIKI-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3cccnc3Cl)[nH]c21 ZINC000871952781 589841470 /nfs/dbraw/zinc/84/14/70/589841470.db2.gz OTAZSXGIBIDWGZ-JGVFFNPUSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccnc(F)c3)C(=O)[C@@H]2C1 ZINC000871953162 589841765 /nfs/dbraw/zinc/84/17/65/589841765.db2.gz DQQNIURSQGYXSH-PSASIEDQSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccnc(F)c3)c(=O)c2C1 ZINC000871953162 589841767 /nfs/dbraw/zinc/84/17/67/589841767.db2.gz DQQNIURSQGYXSH-PSASIEDQSA-N 0 1 247.273 2.360 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccnc(Cl)c1 ZINC000871953235 589841832 /nfs/dbraw/zinc/84/18/32/589841832.db2.gz HAOPBHNZXRAZIS-MRVPVSSYSA-N 0 1 235.674 2.238 20 0 BEADMN O=c1c2c([nH]n1-c1ccnc(Cl)c1)CCC2 ZINC000871953235 589841835 /nfs/dbraw/zinc/84/18/35/589841835.db2.gz HAOPBHNZXRAZIS-MRVPVSSYSA-N 0 1 235.674 2.238 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccnc(Cl)c2)[nH]1 ZINC000871953695 589842631 /nfs/dbraw/zinc/84/26/31/589842631.db2.gz ZIZIEESQYZZZQJ-UHFFFAOYSA-N 0 1 237.690 2.484 20 0 BEADMN O=c1cc(C2CC2)[nH]n1C[C@H]1CCCC1(F)F ZINC000871962308 589847180 /nfs/dbraw/zinc/84/71/80/589847180.db2.gz AJJUSCWVDFAVMS-SECBINFHSA-N 0 1 242.269 2.420 20 0 BEADMN Cc1cc(=O)n(C[C@@H]2CCCC2(F)F)[nH]1 ZINC000871964115 589847552 /nfs/dbraw/zinc/84/75/52/589847552.db2.gz WIWZTIFAACRELB-QMMMGPOBSA-N 0 1 216.231 2.030 20 0 BEADMN C[C@@H](NCCn1cccn1)c1cc(O)ccc1F ZINC000872046473 589860889 /nfs/dbraw/zinc/86/08/89/589860889.db2.gz IMDRVXUGOQVJMY-SNVBAGLBSA-N 0 1 249.289 2.079 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1cc(O)ccc1F ZINC000872064984 589863337 /nfs/dbraw/zinc/86/33/37/589863337.db2.gz QMKWOICQYJKKHY-BDAKNGLRSA-N 0 1 227.279 2.217 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1cccc(C)c1 ZINC000872135131 589878031 /nfs/dbraw/zinc/87/80/31/589878031.db2.gz FPYJNXMUTDWZTI-NSHDSACASA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000872166380 589886750 /nfs/dbraw/zinc/88/67/50/589886750.db2.gz WAYZECSXGKJYDH-VIFPVBQESA-N 0 1 232.283 2.073 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000872166011 589886995 /nfs/dbraw/zinc/88/69/95/589886995.db2.gz QOKGEKSZHUREGC-ZDUSSCGKSA-N 0 1 246.310 2.463 20 0 BEADMN C[C@H](C[N@H+]1CC2CC1(C(=O)[O-])C2)C(C)(C)C ZINC000872162458 589887153 /nfs/dbraw/zinc/88/71/53/589887153.db2.gz RGIGOCBKUHDEDG-TTXORMCVSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872165729 589887458 /nfs/dbraw/zinc/88/74/58/589887458.db2.gz JZMQVFPGADYJLV-ABAIWWIYSA-N 0 1 245.322 2.049 20 0 BEADMN Cc1cc(CN)oc1-c1nc([C@H]2C[C@H]2C)no1 ZINC000872174673 589888116 /nfs/dbraw/zinc/88/81/16/589888116.db2.gz FHCKHGPRTTZZMJ-MUWHJKNJSA-N 0 1 233.271 2.220 20 0 BEADMN CC(C)n1ccc(CN[C@]23CCC[C@H]2OCC3)n1 ZINC000872313345 589909475 /nfs/dbraw/zinc/90/94/75/589909475.db2.gz UIQYJISWXQXEBX-KGLIPLIRSA-N 0 1 249.358 2.265 20 0 BEADMN CN1CCN(CC2=CCCC2)Cc2cccnc21 ZINC000872318849 589911819 /nfs/dbraw/zinc/91/18/19/589911819.db2.gz APXPRGMRFAIXEC-UHFFFAOYSA-N 0 1 243.354 2.444 20 0 BEADMN CC1CCN(CN2CCC3(CCC3)C2=O)CC1 ZINC000872552753 589949661 /nfs/dbraw/zinc/94/96/61/589949661.db2.gz BTXSPOJUQINUCB-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@H]1CCN(CN2CCC3(CCCC3)C2=O)C1 ZINC000872575212 589953413 /nfs/dbraw/zinc/95/34/13/589953413.db2.gz XJLQSJQAQXEGSY-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN C[C@H]1CCCN1CN1CCC2(CCCC2)C1=O ZINC000872587911 589954975 /nfs/dbraw/zinc/95/49/75/589954975.db2.gz ZBERSXGGTGSQND-LBPRGKRZSA-N 0 1 236.359 2.221 20 0 BEADMN O=C1N(CN2CC[C@@H]3C[C@@H]3C2)CCC12CCCC2 ZINC000872623070 589956579 /nfs/dbraw/zinc/95/65/79/589956579.db2.gz PKHHAKBDXLRNHZ-CHWSQXEVSA-N 0 1 248.370 2.078 20 0 BEADMN C1=C[C@H](CCCNc2ncnc3[nH]cnc32)CC1 ZINC000872693989 589962010 /nfs/dbraw/zinc/96/20/10/589962010.db2.gz GCUPWXBEOFJGHH-JTQLQIEISA-N 0 1 243.314 2.463 20 0 BEADMN C[C@](O)(CCNCc1ccon1)c1ccccc1 ZINC000873109688 589984836 /nfs/dbraw/zinc/98/48/36/589984836.db2.gz BDRMJAUZFJCHJP-AWEZNQCLSA-N 0 1 246.310 2.062 20 0 BEADMN C[C@@H](NCc1ccon1)[C@@](C)(O)c1ccccc1 ZINC000873134141 589985940 /nfs/dbraw/zinc/98/59/40/589985940.db2.gz XSGDYIYSXHBYJK-BXUZGUMPSA-N 0 1 246.310 2.060 20 0 BEADMN C[C@H](NCc1ccon1)[C@](C)(O)c1ccccc1 ZINC000873134148 589986183 /nfs/dbraw/zinc/98/61/83/589986183.db2.gz XSGDYIYSXHBYJK-FZMZJTMJSA-N 0 1 246.310 2.060 20 0 BEADMN COc1nccnc1CNCCC[C@H]1C=CCC1 ZINC000873154019 589987939 /nfs/dbraw/zinc/98/79/39/589987939.db2.gz OVMKTVAENOJXMO-LBPRGKRZSA-N 0 1 247.342 2.321 20 0 BEADMN c1csc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1 ZINC000873157277 589988555 /nfs/dbraw/zinc/98/85/55/589988555.db2.gz VMZIGQVDSQAJFP-DCAQKATOSA-N 0 1 238.356 2.190 20 0 BEADMN CC[C@H](NCc1cc[nH]n1)[C@@H](O)c1ccccc1 ZINC000873195158 589991162 /nfs/dbraw/zinc/99/11/62/589991162.db2.gz YKBHYCVOQQFYLL-KBPBESRZSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@H](NCc1ncc[nH]1)[C@@H](O)c1ccccc1 ZINC000873194723 589991302 /nfs/dbraw/zinc/99/13/02/589991302.db2.gz UZGXGHJACJGXIP-OCCSQVGLSA-N 0 1 245.326 2.012 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H](C)[C@H]1CC12CC2)N(C)C ZINC000873625917 590063739 /nfs/dbraw/zinc/06/37/39/590063739.db2.gz UPXDYBOLNWGVBA-UTUOFQBUSA-N 0 1 239.359 2.304 20 0 BEADMN C[C@H](C(=O)NC1CCCCCCC1)N(C)C ZINC000873744523 590070414 /nfs/dbraw/zinc/07/04/14/590070414.db2.gz PZXUMAJDPUWJFC-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)CN2CCCC2)C1 ZINC000874160393 590094515 /nfs/dbraw/zinc/09/45/15/590094515.db2.gz ANWUHIXARGVRJN-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1ccc2cncn2c1 ZINC000874777423 590129369 /nfs/dbraw/zinc/12/93/69/590129369.db2.gz DNXDKNSZCFEKLE-LBPRGKRZSA-N 0 1 241.294 2.007 20 0 BEADMN CC(C)CCCCCC(=O)N1CCNC[C@@H]1C ZINC000125434002 590164016 /nfs/dbraw/zinc/16/40/16/590164016.db2.gz KRIQQVBFPJTFKD-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CCOc1cc(F)cc(C[N@@H+](C)CCOC)c1 ZINC000876565465 590217200 /nfs/dbraw/zinc/21/72/00/590217200.db2.gz VREBTARYCKTNEJ-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCOc1cc(F)cc(CN(C)CCOC)c1 ZINC000876565465 590217201 /nfs/dbraw/zinc/21/72/01/590217201.db2.gz VREBTARYCKTNEJ-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CCCn1cc(CN2CCC[C@@H]2C(C)C)nn1 ZINC000876578794 590217900 /nfs/dbraw/zinc/21/79/00/590217900.db2.gz BKWPGUMBFAKDBY-CYBMUJFWSA-N 0 1 236.363 2.309 20 0 BEADMN CN(Cc1cc2c(cc[nH]c2=O)o1)C1CC1 ZINC000876580968 590218726 /nfs/dbraw/zinc/21/87/26/590218726.db2.gz VVTMCWMGCWZYBD-UHFFFAOYSA-N 0 1 218.256 2.128 20 0 BEADMN CCCn1cc(CN([C@H](C)C2CC2)C2CC2)nn1 ZINC000876598902 590220340 /nfs/dbraw/zinc/22/03/40/590220340.db2.gz REFOOKWBYRRFET-LLVKDONJSA-N 0 1 248.374 2.451 20 0 BEADMN CCCn1cc(CN2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000876638731 590225158 /nfs/dbraw/zinc/22/51/58/590225158.db2.gz MRVRAYJXAZYHDS-OCCSQVGLSA-N 0 1 248.374 2.453 20 0 BEADMN COC(=O)c1[nH]c(CN2CCC2(C)C)cc1C ZINC000876743650 590236540 /nfs/dbraw/zinc/23/65/40/590236540.db2.gz GJOGQFOIDIKVNY-UHFFFAOYSA-N 0 1 236.315 2.094 20 0 BEADMN COc1cnc(F)c(CN2C[C@H](C)[C@H](C)C2)c1 ZINC000876747410 590237096 /nfs/dbraw/zinc/23/70/96/590237096.db2.gz CHGBDSUPBZKDJX-AOOOYVTPSA-N 0 1 238.306 2.317 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)CC[C@H]2C)nn1 ZINC000876750213 590237999 /nfs/dbraw/zinc/23/79/99/590237999.db2.gz OSNMDGIOOWXQJC-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN ClC1(Cl)C[C@@H]1CNCc1nccs1 ZINC000876954793 590261066 /nfs/dbraw/zinc/26/10/66/590261066.db2.gz OXQWXSMHJUKZKJ-ZCFIWIBFSA-N 0 1 237.155 2.427 20 0 BEADMN Clc1csc(CNC[C@@H]2CCCCO2)n1 ZINC000876972105 590263184 /nfs/dbraw/zinc/26/31/84/590263184.db2.gz QCMIEQPUUDHFKY-QMMMGPOBSA-N 0 1 246.763 2.455 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000876974271 590263692 /nfs/dbraw/zinc/26/36/92/590263692.db2.gz BOKUVDQTCZCOLD-YPMHNXCESA-N 0 1 236.315 2.209 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCNC[C@@H]1C(C)C ZINC000876998603 590267485 /nfs/dbraw/zinc/26/74/85/590267485.db2.gz KETGHQQCNTUVGU-KIWPFMIBSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H](O)C[C@@H](C)CNCc1nc(Cl)cs1 ZINC000877059303 590276176 /nfs/dbraw/zinc/27/61/76/590276176.db2.gz UIPZYVVTWBAELK-HTQZYQBOSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@H](O)C[C@H](C)CNCc1nc(Cl)cs1 ZINC000877059308 590276465 /nfs/dbraw/zinc/27/64/65/590276465.db2.gz UIPZYVVTWBAELK-YUMQZZPRSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)CN)C1 ZINC000877065644 590276686 /nfs/dbraw/zinc/27/66/86/590276686.db2.gz UEJIPRMWBPCSGZ-GFCCVEGCSA-N 0 1 246.354 2.197 20 0 BEADMN CC(C)(CCO)CNCc1nc(Cl)cs1 ZINC000877063338 590276969 /nfs/dbraw/zinc/27/69/69/590276969.db2.gz DZANTVZZUHCHAE-UHFFFAOYSA-N 0 1 248.779 2.295 20 0 BEADMN O[C@H]1CC[C@H](NCc2nc(Cl)cs2)CC1 ZINC000877121286 590289140 /nfs/dbraw/zinc/28/91/40/590289140.db2.gz MVMNKWNCVCJPHY-ZKCHVHJHSA-N 0 1 246.763 2.190 20 0 BEADMN C/C=C/C[C@H](CO)NCc1nc(Cl)cs1 ZINC000877406222 590322739 /nfs/dbraw/zinc/32/27/39/590322739.db2.gz SEZOVIMLJMXNEY-UFUPEUMYSA-N 0 1 246.763 2.213 20 0 BEADMN CC(C)(O)CCNCc1nc(Cl)cs1 ZINC000877420696 590325411 /nfs/dbraw/zinc/32/54/11/590325411.db2.gz BGWLJQLXSGCQCD-UHFFFAOYSA-N 0 1 234.752 2.047 20 0 BEADMN CC(C)[C@H](CO)CNCc1nc(Cl)cs1 ZINC000877521861 590345778 /nfs/dbraw/zinc/34/57/78/590345778.db2.gz JDBHHGLITGQLPL-QMMMGPOBSA-N 0 1 248.779 2.151 20 0 BEADMN CCCn1cc(CN2[C@H](C)CC[C@H]2CC)nn1 ZINC000877530997 590349133 /nfs/dbraw/zinc/34/91/33/590349133.db2.gz HJLNMSIHIPMULC-DGCLKSJQSA-N 0 1 236.363 2.451 20 0 BEADMN CO[C@H](CNCc1nc(Cl)cs1)C1CC1 ZINC000877552770 590355379 /nfs/dbraw/zinc/35/53/79/590355379.db2.gz SZGCQDOAQOOJFI-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN ClC1(Cl)C[C@@H]1CN[C@H]1CCn2ccnc21 ZINC000877557786 590358534 /nfs/dbraw/zinc/35/85/34/590358534.db2.gz XKTSUEZEHBTGCN-SFYZADRCSA-N 0 1 246.141 2.111 20 0 BEADMN CCCn1cc(CN2C[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000877566389 590361044 /nfs/dbraw/zinc/36/10/44/590361044.db2.gz IJJPXLTWMXHDOY-BETUJISGSA-N 0 1 248.374 2.310 20 0 BEADMN CO[C@H](CNCc1noc2ccccc12)C1CC1 ZINC000877619969 590376180 /nfs/dbraw/zinc/37/61/80/590376180.db2.gz CUABQGLCUMEUAI-CQSZACIVSA-N 0 1 246.310 2.342 20 0 BEADMN OC[C@H](NCc1nc(Cl)cs1)C1CCC1 ZINC000877622959 590377174 /nfs/dbraw/zinc/37/71/74/590377174.db2.gz VWVRLEGBUQDQKO-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nc(Cl)cs2)[C@H](C)O1 ZINC000877683225 590391393 /nfs/dbraw/zinc/39/13/93/590391393.db2.gz URESKCMZBCLFTJ-GJMOJQLCSA-N 0 1 246.763 2.452 20 0 BEADMN COCc1cc(CNCCCCC2CC2)no1 ZINC000877730109 590403912 /nfs/dbraw/zinc/40/39/12/590403912.db2.gz MPIXOUWOFRJVDV-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN CC(C)(C)OC1CN(CCC[C@@H]2CCO2)C1 ZINC000877770176 590421273 /nfs/dbraw/zinc/42/12/73/590421273.db2.gz QARXVPBTMPQGJN-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1ncc(CNCC2(OC(C)C)CCC2)o1 ZINC000877808161 590426627 /nfs/dbraw/zinc/42/66/27/590426627.db2.gz WVYRMIMVTFAZSV-UHFFFAOYSA-N 0 1 238.331 2.420 20 0 BEADMN Cn1cc(CN2CC[C@](C)(C(F)(F)F)C2)cn1 ZINC000877814647 590427261 /nfs/dbraw/zinc/42/72/61/590427261.db2.gz WDYAKFUJTGTVPY-JTQLQIEISA-N 0 1 247.264 2.194 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@@H](C)CO1 ZINC000877920853 590447408 /nfs/dbraw/zinc/44/74/08/590447408.db2.gz YTOBZSDISNNXHF-NDKCEZKHSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@H](C)CO1 ZINC000877920854 590447580 /nfs/dbraw/zinc/44/75/80/590447580.db2.gz YTOBZSDISNNXHF-PEBLQZBPSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)[C@H](C)CO1 ZINC000877920794 590447616 /nfs/dbraw/zinc/44/76/16/590447616.db2.gz XFSXBLOGXCPGBW-JHJVBQTASA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)[C@H](O)CCN1CCn2cccc2[C@H]1C ZINC000877923436 590448500 /nfs/dbraw/zinc/44/85/00/590448500.db2.gz PETOYRFQEXYZQA-TZMCWYRMSA-N 0 1 236.359 2.272 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)N(C)C)CC(C)(C)C ZINC000877940039 590453135 /nfs/dbraw/zinc/45/31/35/590453135.db2.gz GTJUBHUEGHESCG-LLVKDONJSA-N 0 1 228.380 2.079 20 0 BEADMN CCN(C#N)CC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000877937541 590453151 /nfs/dbraw/zinc/45/31/51/590453151.db2.gz NLUMBMLLARPQHP-CYBMUJFWSA-N 0 1 243.354 2.409 20 0 BEADMN CCN(C#N)CCN1Cc2ccccc2[C@H](C)C1 ZINC000877937541 590453154 /nfs/dbraw/zinc/45/31/54/590453154.db2.gz NLUMBMLLARPQHP-CYBMUJFWSA-N 0 1 243.354 2.409 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)NC1CC1)CC(C)(C)C ZINC000877940341 590453488 /nfs/dbraw/zinc/45/34/88/590453488.db2.gz QSCLIOITAZZOAH-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN C[N@@H+](CCO)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000877949456 590455068 /nfs/dbraw/zinc/45/50/68/590455068.db2.gz GGVCBUCRHYWTHN-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)CCCC(=O)[O-] ZINC000126808034 590457298 /nfs/dbraw/zinc/45/72/98/590457298.db2.gz MSKMUIZRRWGGQX-SNVBAGLBSA-N 0 1 233.377 2.315 20 0 BEADMN Cc1noc(C)c1CN(C)CC[C@@H](O)C(C)C ZINC000877956541 590457551 /nfs/dbraw/zinc/45/75/51/590457551.db2.gz RVLPWAPPCMXIOB-CYBMUJFWSA-N 0 1 240.347 2.130 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1CCCC1 ZINC000877962399 590459511 /nfs/dbraw/zinc/45/95/11/590459511.db2.gz IOTXLFLVXIMEKF-TVQRCGJNSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1cccnc1NC(=O)CN(C(C)C)C1CC1 ZINC000877965344 590460680 /nfs/dbraw/zinc/46/06/80/590460680.db2.gz UKHIMVJWJATVIV-UHFFFAOYSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1ncc(CN(C)CC[C@@H](O)C(C)C)s1 ZINC000877972839 590463152 /nfs/dbraw/zinc/46/31/52/590463152.db2.gz PVOYZSHOICBFCE-GFCCVEGCSA-N 0 1 242.388 2.290 20 0 BEADMN CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)C(C)C ZINC000877983542 590465534 /nfs/dbraw/zinc/46/55/34/590465534.db2.gz OKSGDODNLGDFFF-UHFFFAOYSA-N 0 1 249.420 2.320 20 0 BEADMN CC[N@@H+](CCOC)C[C@H]1CCCC(C)(C)O1 ZINC000877993604 590468198 /nfs/dbraw/zinc/46/81/98/590468198.db2.gz SKZWXHDAUUQSTH-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CC1(C)COCCN1C[C@H]1CC2(CCC2)CO1 ZINC000877996016 590469028 /nfs/dbraw/zinc/46/90/28/590469028.db2.gz NCVVHURUSDTBPC-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CCN(CC[C@@H]1CCCC1(F)F)CC(=O)OC ZINC000878046488 590480514 /nfs/dbraw/zinc/48/05/14/590480514.db2.gz AYBZCFQLKHCTDX-JTQLQIEISA-N 0 1 249.301 2.307 20 0 BEADMN CCN(CCO)Cc1cc(C(F)(F)F)co1 ZINC000878049714 590482394 /nfs/dbraw/zinc/48/23/94/590482394.db2.gz LHZITGMMSGSQNH-UHFFFAOYSA-N 0 1 237.221 2.113 20 0 BEADMN COC(=O)[C@@H]1CCCN1CC1CC2(CCC2)C1 ZINC000878055525 590484415 /nfs/dbraw/zinc/48/44/15/590484415.db2.gz VURWIPUPUTUNJG-LBPRGKRZSA-N 0 1 237.343 2.204 20 0 BEADMN CCC(C)(C)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878064197 590485425 /nfs/dbraw/zinc/48/54/25/590485425.db2.gz BMKGJZLPNVNLBE-JOYOIKCWSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1ncsc1CN(C)CC[C@@H](O)C(C)C ZINC000878090480 590490800 /nfs/dbraw/zinc/49/08/00/590490800.db2.gz XBJAIUXRZWDUII-LLVKDONJSA-N 0 1 242.388 2.290 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000878106720 590494932 /nfs/dbraw/zinc/49/49/32/590494932.db2.gz QCXOGJTWTVMOMZ-AWEZNQCLSA-N 0 1 217.312 2.065 20 0 BEADMN CC[C@@H]1COCCN1C[C@H]1CCC2(CCC2)O1 ZINC000878109450 590496406 /nfs/dbraw/zinc/49/64/06/590496406.db2.gz UQXQACRTWSXKNM-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H]1COCCN1C[C@@H]1CCC(C)(C)CO1 ZINC000878109752 590496634 /nfs/dbraw/zinc/49/66/34/590496634.db2.gz ZSJVFZHUSJFGMN-STQMWFEESA-N 0 1 241.375 2.302 20 0 BEADMN Cc1cccnc1NC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000878125290 590500898 /nfs/dbraw/zinc/50/08/98/590500898.db2.gz KHSDZQLWAXNXJN-PWSUYJOCSA-N 0 1 247.342 2.059 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878181258 590516903 /nfs/dbraw/zinc/51/69/03/590516903.db2.gz MVALUIWJFQJWKN-MFKMUULPSA-N 0 1 249.358 2.334 20 0 BEADMN CC(C)CN(C)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878181089 590517182 /nfs/dbraw/zinc/51/71/82/590517182.db2.gz KXAAKFYPRCWGHH-MFKMUULPSA-N 0 1 249.358 2.190 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878197570 590523019 /nfs/dbraw/zinc/52/30/19/590523019.db2.gz OUAYMMOJVFDCAR-QMVSFRDZSA-N 0 1 239.359 2.053 20 0 BEADMN Cc1cccnc1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000878288113 590534043 /nfs/dbraw/zinc/53/40/43/590534043.db2.gz PGVNFLXODIZVST-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)CCC1CC1 ZINC000878288113 590534045 /nfs/dbraw/zinc/53/40/45/590534045.db2.gz PGVNFLXODIZVST-UHFFFAOYSA-N 0 1 247.342 2.060 20 0 BEADMN Cc1conc1CN1CC[C@H](C)[C@H](C)C1 ZINC000878328118 590547463 /nfs/dbraw/zinc/54/74/63/590547463.db2.gz BBMSKIBYBIDUCD-VHSXEESVSA-N 0 1 208.305 2.461 20 0 BEADMN CC(C)OC[C@H]1CN(CCCC2CC2)CCO1 ZINC000878446142 590568185 /nfs/dbraw/zinc/56/81/85/590568185.db2.gz CYEGAELPFIEZRD-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1conc1CN([C@H](C)CO)C1CCCC1 ZINC000878476114 590573907 /nfs/dbraw/zinc/57/39/07/590573907.db2.gz WWHACEOGQWSUDN-LLVKDONJSA-N 0 1 238.331 2.108 20 0 BEADMN C[C@@H]1CN(CCCC2CC2)C[C@@H](C)S1=O ZINC000878503988 590581439 /nfs/dbraw/zinc/58/14/39/590581439.db2.gz VTGBFDYXONSQEU-GHMZBOCLSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1conc1CN1CCSCC[C@H]1C ZINC000878504184 590581626 /nfs/dbraw/zinc/58/16/26/590581626.db2.gz DSBHNXNRSDHSQX-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN CC(C)(C)SCCCN1CC[C@@](F)(CO)C1 ZINC000878567918 590592728 /nfs/dbraw/zinc/59/27/28/590592728.db2.gz DMRMFFYUPQARKJ-LBPRGKRZSA-N 0 1 249.395 2.315 20 0 BEADMN C=C/C=C\CCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000878606177 590594864 /nfs/dbraw/zinc/59/48/64/590594864.db2.gz ONBFAZZFKKHYDG-PIKBCSQCSA-N 0 1 241.400 2.350 20 0 BEADMN Cc1ccc(CN(C)C2(CO)CC2)nc1Cl ZINC000878610605 590595576 /nfs/dbraw/zinc/59/55/76/590595576.db2.gz ZYWVZUWPGYUGPB-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2nocc2C)C1(C)C ZINC000878671262 590607532 /nfs/dbraw/zinc/60/75/32/590607532.db2.gz DSZQMIXISMVCKV-DGCLKSJQSA-N 0 1 238.331 2.276 20 0 BEADMN C=C/C=C/CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000878683496 590609229 /nfs/dbraw/zinc/60/92/29/590609229.db2.gz ZNWARRLJERZLCI-SQRWCISFSA-N 0 1 241.400 2.352 20 0 BEADMN COC[C@@H]1CCCN(Cc2nocc2C)CC1 ZINC000878693338 590610805 /nfs/dbraw/zinc/61/08/05/590610805.db2.gz RYLPLZFVCFOSIO-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CC1(C)OC[C@H](CCN2CCC=C(Cl)C2)O1 ZINC000878790679 590621291 /nfs/dbraw/zinc/62/12/91/590621291.db2.gz RJYNJHMWNQWPGH-NSHDSACASA-N 0 1 245.750 2.356 20 0 BEADMN COCCCCN1CCC=C(Cl)C1 ZINC000878790260 590622490 /nfs/dbraw/zinc/62/24/90/590622490.db2.gz IGCLLLNVZDUYKA-UHFFFAOYSA-N 0 1 203.713 2.241 20 0 BEADMN ClC1=CCCN(C[C@@H]2CCCCO2)C1 ZINC000878794320 590624609 /nfs/dbraw/zinc/62/46/09/590624609.db2.gz ZIUVPZXXVLXMFB-NSHDSACASA-N 0 1 215.724 2.384 20 0 BEADMN C[C@@H](CN(C)Cc1cn(C)nn1)CC(C)(C)C ZINC000878950349 590658647 /nfs/dbraw/zinc/65/86/47/590658647.db2.gz RQTKSBRNGGWADW-LLVKDONJSA-N 0 1 238.379 2.319 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)C1CCC1 ZINC000878983190 590667699 /nfs/dbraw/zinc/66/76/99/590667699.db2.gz IKBJDNXYWNFDOP-TVQRCGJNSA-N 0 1 247.342 2.087 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CCCC1CC1 ZINC000878994076 590673260 /nfs/dbraw/zinc/67/32/60/590673260.db2.gz SJELKXWDINVBPM-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN COC(=O)/C(C)=C\CN1CCC(CCF)CC1 ZINC000879208152 590715086 /nfs/dbraw/zinc/71/50/86/590715086.db2.gz SYFZTIXNZYPHCT-WCIBSUBMSA-N 0 1 243.322 2.177 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000879324231 590744160 /nfs/dbraw/zinc/74/41/60/590744160.db2.gz FXMXMQGZQJGYGZ-ZWNOBZJWSA-N 0 1 238.306 2.220 20 0 BEADMN CCc1nocc1CN1C[C@@H](OC)CC[C@@H]1C ZINC000879324225 590745126 /nfs/dbraw/zinc/74/51/26/590745126.db2.gz FXFRJGSNKNNZSR-JQWIXIFHSA-N 0 1 238.331 2.236 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000879325251 590745564 /nfs/dbraw/zinc/74/55/64/590745564.db2.gz JROUNUKNHFSZOP-BXUZGUMPSA-N 0 1 249.358 2.093 20 0 BEADMN CC(C)(C)[C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000127677462 590750197 /nfs/dbraw/zinc/75/01/97/590750197.db2.gz YNXVCKBBKDJWEK-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1oncc1CN1CCC(C)(F)CC1 ZINC000879382190 590757623 /nfs/dbraw/zinc/75/76/23/590757623.db2.gz FRIAXZCGHAJWQU-UHFFFAOYSA-N 0 1 212.268 2.307 20 0 BEADMN CC(=O)CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879673120 590845993 /nfs/dbraw/zinc/84/59/93/590845993.db2.gz PXEWMSKKHYFMFW-RKDXNWHRSA-N 0 1 221.222 2.062 20 0 BEADMN CCC(O)(CC)C(C)(C)NCc1ccon1 ZINC000879698125 590850944 /nfs/dbraw/zinc/85/09/44/590850944.db2.gz KNDNFPIVAOQGQL-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN CCC(O)(CC)C(C)(C)NCc1cc(C)on1 ZINC000879696433 590851851 /nfs/dbraw/zinc/85/18/51/590851851.db2.gz FQBBOVDXEIEWSN-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN Cc1cncc([C@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000879749931 590863208 /nfs/dbraw/zinc/86/32/08/590863208.db2.gz NFDJUUROLKYWEV-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000879778281 590867996 /nfs/dbraw/zinc/86/79/96/590867996.db2.gz GXENDWYIPBKNAC-LQDVMPOASA-N 0 1 246.354 2.207 20 0 BEADMN Cl/C=C/CN[C@@H]1CCCn2nccc21 ZINC000879786522 590868218 /nfs/dbraw/zinc/86/82/18/590868218.db2.gz SOZYATLKAAGTJS-OSOUNJMWSA-N 0 1 211.696 2.060 20 0 BEADMN Cc1csc([C@@H]2CCN(Cc3c[nH]cn3)C2)n1 ZINC000880009012 590908822 /nfs/dbraw/zinc/90/88/22/590908822.db2.gz IFRKOSFZHSZXPF-SNVBAGLBSA-N 0 1 248.355 2.164 20 0 BEADMN CCC1(CC)CCCN1Cc1nnnn1C1CC1 ZINC000880096320 590925228 /nfs/dbraw/zinc/92/52/28/590925228.db2.gz HURNDFPUMBUDMG-UHFFFAOYSA-N 0 1 249.362 2.163 20 0 BEADMN COCC1(N(C)Cc2c(C)noc2C)CCC1 ZINC000880185583 590953522 /nfs/dbraw/zinc/95/35/22/590953522.db2.gz VESRMNMZEIDYPD-UHFFFAOYSA-N 0 1 238.331 2.292 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1(F)CCCC1 ZINC000880196469 590956832 /nfs/dbraw/zinc/95/68/32/590956832.db2.gz RLQAMNLDNOMEHD-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN FC[C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000880232626 590962541 /nfs/dbraw/zinc/96/25/41/590962541.db2.gz OUYPWUOIVWPYJF-VIFPVBQESA-N 0 1 243.244 2.247 20 0 BEADMN COc1ccc(CN2CCC[C@@H](CF)C2)cn1 ZINC000880234788 590964364 /nfs/dbraw/zinc/96/43/64/590964364.db2.gz WJEIARXMDDDRJE-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cc(CN2CCC[C@@H](CF)C2)on1 ZINC000880236201 590965827 /nfs/dbraw/zinc/96/58/27/590965827.db2.gz XHMJEMABFKXHHX-JTQLQIEISA-N 0 1 212.268 2.165 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC(F)CC2)cn1 ZINC000880239276 590972402 /nfs/dbraw/zinc/97/24/02/590972402.db2.gz DJXZSWACKBMRRM-SNVBAGLBSA-N 0 1 223.295 2.280 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1CCC(F)CC1 ZINC000880243419 590973658 /nfs/dbraw/zinc/97/36/58/590973658.db2.gz ZGCMBAIIUYFOKB-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN C[C@H](c1ccccc1)N1CCN(CCF)CC1 ZINC000880247465 590978195 /nfs/dbraw/zinc/97/81/95/590978195.db2.gz GJIHLOZTISYGGM-CYBMUJFWSA-N 0 1 236.334 2.335 20 0 BEADMN FC[C@@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000880293911 590988577 /nfs/dbraw/zinc/98/85/77/590988577.db2.gz QEKJNKWXDXTTOR-JTQLQIEISA-N 0 1 238.306 2.345 20 0 BEADMN FC[C@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000880293912 590989040 /nfs/dbraw/zinc/98/90/40/590989040.db2.gz QEKJNKWXDXTTOR-SNVBAGLBSA-N 0 1 238.306 2.345 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](CF)C1 ZINC000880298566 590992452 /nfs/dbraw/zinc/99/24/52/590992452.db2.gz FATRIYKWQNIOKV-WDEREUQCSA-N 0 1 245.338 2.398 20 0 BEADMN Cn1cc(CN2CC[C@H](CF)C2)c(C(F)F)n1 ZINC000880299407 590994324 /nfs/dbraw/zinc/99/43/24/590994324.db2.gz SMUPXJITPMNILG-MRVPVSSYSA-N 0 1 247.264 2.149 20 0 BEADMN FC[C@H]1CCN(Cc2ccncc2F)C1 ZINC000880299319 590994420 /nfs/dbraw/zinc/99/44/20/590994420.db2.gz GCPKGWFBAGBOKK-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN Cc1cc(CN2CC[C@H](c3nccs3)C2)on1 ZINC000880314765 591002303 /nfs/dbraw/zinc/00/23/03/591002303.db2.gz FMVGNKPMDXTZGR-JTQLQIEISA-N 0 1 249.339 2.429 20 0 BEADMN FC(F)OCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880322272 591005987 /nfs/dbraw/zinc/00/59/87/591005987.db2.gz FNPCRVVNLRIBNF-MRVPVSSYSA-N 0 1 248.298 2.172 20 0 BEADMN FC(F)OCCN1CC[C@@H](c2nccs2)C1 ZINC000880322272 591005992 /nfs/dbraw/zinc/00/59/92/591005992.db2.gz FNPCRVVNLRIBNF-MRVPVSSYSA-N 0 1 248.298 2.172 20 0 BEADMN C[C@@H]1C[C@H]1CNC1(c2ncccn2)CCC1 ZINC000880367535 591012785 /nfs/dbraw/zinc/01/27/85/591012785.db2.gz GZBKYELNGHMFQU-MNOVXSKESA-N 0 1 217.316 2.101 20 0 BEADMN CCON(C(=O)c1cc(C(F)F)[nH]n1)C(C)C ZINC000880419840 591028893 /nfs/dbraw/zinc/02/88/93/591028893.db2.gz QYCFXUIMTFWLPX-UHFFFAOYSA-N 0 1 247.245 2.149 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cc(F)cc(F)c1 ZINC000880439943 591041926 /nfs/dbraw/zinc/04/19/26/591041926.db2.gz NWHBLQUWVLFODT-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN CCCOc1cccc(CN2CC=C[C@@H]2CO)c1 ZINC000880492189 591068588 /nfs/dbraw/zinc/06/85/88/591068588.db2.gz OXXLNLCNCKYVOR-CQSZACIVSA-N 0 1 247.338 2.208 20 0 BEADMN CCn1ccnc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880503044 591078039 /nfs/dbraw/zinc/07/80/39/591078039.db2.gz AYLZSQUDVXZXLT-OCCSQVGLSA-N 0 1 249.358 2.094 20 0 BEADMN CC(C)[N@H+](CCC(=O)[O-])C/C(Cl)=C\Cl ZINC000211360972 591163416 /nfs/dbraw/zinc/16/34/16/591163416.db2.gz BTMHCQKLHJEFEW-VMPITWQZSA-N 0 1 240.130 2.491 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C/C(Cl)=C\Cl ZINC000211360972 591163420 /nfs/dbraw/zinc/16/34/20/591163420.db2.gz BTMHCQKLHJEFEW-VMPITWQZSA-N 0 1 240.130 2.491 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000211379378 591164180 /nfs/dbraw/zinc/16/41/80/591164180.db2.gz ZEKUBFGLUSNPIP-PUSOHNNWSA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000211379378 591164183 /nfs/dbraw/zinc/16/41/83/591164183.db2.gz ZEKUBFGLUSNPIP-PUSOHNNWSA-N 0 1 238.114 2.102 20 0 BEADMN CCC[C@H](C)CCNC(=O)C1(N(C)C)CC1 ZINC000881532369 591231557 /nfs/dbraw/zinc/23/15/57/591231557.db2.gz QLOSZTGTLYXWNQ-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC1(C)C[C@]1(C)CNC(=O)c1[nH]nc2c1CCC2 ZINC000881540496 591233797 /nfs/dbraw/zinc/23/37/97/591233797.db2.gz JIWSWLOURLPASS-CQSZACIVSA-N 0 1 247.342 2.064 20 0 BEADMN CCN(CC(=O)NC[C@]1(C)CC1(C)C)C1CC1 ZINC000881542030 591235007 /nfs/dbraw/zinc/23/50/07/591235007.db2.gz JOAXFGUZLVOFFV-AWEZNQCLSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CC(=O)NC[C@@]1(C)CC1(C)C)C1CC1 ZINC000881542031 591235042 /nfs/dbraw/zinc/23/50/42/591235042.db2.gz JOAXFGUZLVOFFV-CQSZACIVSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NCC[S@](C)=O)c1ccccc1Cl ZINC000129410036 591293005 /nfs/dbraw/zinc/29/30/05/591293005.db2.gz ZBIPOWSRPMGHOB-RFAUZJTJSA-N 0 1 245.775 2.369 20 0 BEADMN C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000212025469 591293403 /nfs/dbraw/zinc/29/34/03/591293403.db2.gz VCCCHFJMLNLDSX-HPFKKHKDSA-N 0 1 245.322 2.352 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC000882478872 591356743 /nfs/dbraw/zinc/35/67/43/591356743.db2.gz HSADUMCALSXMQI-AWEZNQCLSA-N 0 1 246.354 2.127 20 0 BEADMN CCCCCCC(=O)NC[C@H]1CCN1CC ZINC000882481263 591356976 /nfs/dbraw/zinc/35/69/76/591356976.db2.gz AIFJXNGSQTWHKR-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CCCC[C@@H](C)C(=O)NC[C@H]1CCN1CC ZINC000882491320 591368856 /nfs/dbraw/zinc/36/88/56/591368856.db2.gz DRMJTKYDHVLEPI-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000882494206 591375416 /nfs/dbraw/zinc/37/54/16/591375416.db2.gz HSKAUHVKUYJABC-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1C ZINC000882496123 591378019 /nfs/dbraw/zinc/37/80/19/591378019.db2.gz YJGSWLCQWLXQCK-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000129808775 591409803 /nfs/dbraw/zinc/40/98/03/591409803.db2.gz HVDBMZUYXFNXBT-VIFPVBQESA-N 0 1 247.298 2.334 20 0 BEADMN CCc1cc(=O)n(-c2cccnc2Cl)[nH]1 ZINC000129808939 591410563 /nfs/dbraw/zinc/41/05/63/591410563.db2.gz SCZFOZRMJGLXSM-UHFFFAOYSA-N 0 1 223.663 2.238 20 0 BEADMN FC(F)(F)c1cnccc1NCC1CSC1 ZINC000882678166 591410611 /nfs/dbraw/zinc/41/06/11/591410611.db2.gz LCAYZBZLQDJHEH-UHFFFAOYSA-N 0 1 248.273 2.297 20 0 BEADMN CCc1ccc(NC(=O)CN(C)C2CCC2)nc1 ZINC000882723085 591422746 /nfs/dbraw/zinc/42/27/46/591422746.db2.gz OKAVVBPBHYILSI-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN CC(C)C[C@@H](CO)NCc1nc(C(C)C)c[nH]1 ZINC000882915387 591474856 /nfs/dbraw/zinc/47/48/56/591474856.db2.gz OPICKWPIBJNWTP-NSHDSACASA-N 0 1 239.363 2.030 20 0 BEADMN CC(C)C[C@@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882943056 591481033 /nfs/dbraw/zinc/48/10/33/591481033.db2.gz CKSBNXKCNMIYTD-LLVKDONJSA-N 0 1 239.363 2.030 20 0 BEADMN COCCCOC1CCN(C/C=C/Cl)CC1 ZINC000130868903 591531351 /nfs/dbraw/zinc/53/13/51/591531351.db2.gz DNEYKVBEHGFHIM-QHHAFSJGSA-N 0 1 247.766 2.256 20 0 BEADMN CC(C)c1c[nH]c(CN[C@]23C[C@H]2COC3(C)C)n1 ZINC000883186642 591565418 /nfs/dbraw/zinc/56/54/18/591565418.db2.gz WHMUZDOEWZNCSH-IINYFYTJSA-N 0 1 249.358 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000883193943 591569547 /nfs/dbraw/zinc/56/95/47/591569547.db2.gz JICSNLWKSFIHHM-OUAUKWLOSA-N 0 1 237.347 2.189 20 0 BEADMN C=C/C=C\CCNCc1cc(COC)on1 ZINC000883260210 591597216 /nfs/dbraw/zinc/59/72/16/591597216.db2.gz NQBAVOCTNLMKCS-PLNGDYQASA-N 0 1 222.288 2.043 20 0 BEADMN Cc1ccc(CN[C@@H]2CO[C@H](C)C2)c(Cl)n1 ZINC000883293612 591609683 /nfs/dbraw/zinc/60/96/83/591609683.db2.gz ZLGXLJPXEYSJIT-KOLCDFICSA-N 0 1 240.734 2.310 20 0 BEADMN Cc1ccc(CN[C@H]2CO[C@@H](C)C2)c(Cl)n1 ZINC000883293611 591609728 /nfs/dbraw/zinc/60/97/28/591609728.db2.gz ZLGXLJPXEYSJIT-GXSJLCMTSA-N 0 1 240.734 2.310 20 0 BEADMN Oc1ccc(Cl)c(CN[C@@H]2CCCOC2)c1 ZINC000883326124 591615779 /nfs/dbraw/zinc/61/57/79/591615779.db2.gz SWCJVCXCWBSOMW-SNVBAGLBSA-N 0 1 241.718 2.314 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccc(C)o1)C(=O)[O-] ZINC000214587126 591636273 /nfs/dbraw/zinc/63/62/73/591636273.db2.gz UYRGDVMVJGOBHF-RMKNXTFCSA-N 0 1 223.272 2.051 20 0 BEADMN C[C@@H](CCO)NCc1nsc2ccccc12 ZINC000883403574 591648850 /nfs/dbraw/zinc/64/88/50/591648850.db2.gz XJUBEAULOZAGPU-VIFPVBQESA-N 0 1 236.340 2.157 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883404797 591649700 /nfs/dbraw/zinc/64/97/00/591649700.db2.gz NOODKTGDJTZNSK-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883404914 591650293 /nfs/dbraw/zinc/65/02/93/591650293.db2.gz SXAJFDBCBACZIB-ZJUUUORDSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@H](C[N@@H+](C)CC[C@H]1CCCC1(F)F)C(=O)[O-] ZINC000883408503 591651005 /nfs/dbraw/zinc/65/10/05/591651005.db2.gz YPUIRLUYAWMOSY-NXEZZACHSA-N 0 1 249.301 2.464 20 0 BEADMN CC[C@@H]1C[C@@H](CN[C@H](C)C(F)F)CCO1 ZINC000883407424 591651322 /nfs/dbraw/zinc/65/13/22/591651322.db2.gz VNFKMNDZVPJKGV-KXUCPTDWSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H]1C[C@H](CN[C@H](C)C(F)F)CCO1 ZINC000883407426 591651550 /nfs/dbraw/zinc/65/15/50/591651550.db2.gz VNFKMNDZVPJKGV-OPRDCNLKSA-N 0 1 221.291 2.435 20 0 BEADMN COc1ccccc1C[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000214708285 591738197 /nfs/dbraw/zinc/73/81/97/591738197.db2.gz MQFHXKBGZFFJGQ-DHZHZOJOSA-N 0 1 249.310 2.158 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000214757820 591781977 /nfs/dbraw/zinc/78/19/77/591781977.db2.gz CUFATMMJPUFEFR-TTZKWOQHSA-N 0 1 213.321 2.384 20 0 BEADMN CC[S@@](=O)CCN[C@@H](C)c1ccc(C)o1 ZINC000133511908 591810224 /nfs/dbraw/zinc/81/02/24/591810224.db2.gz YTZQPIGLOXDMJR-BONVTDFDSA-N 0 1 229.345 2.007 20 0 BEADMN CCn1cc(CN2[C@H](C)CCC[C@H]2C)nn1 ZINC000884001057 591791673 /nfs/dbraw/zinc/79/16/73/591791673.db2.gz XSBRPZHBCMPOAS-GHMZBOCLSA-N 0 1 222.336 2.061 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCN[C@@H](C)C1 ZINC000884031073 591815596 /nfs/dbraw/zinc/81/55/96/591815596.db2.gz FUDWKRDRQZAHAV-OUCADQQQSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCN[C@H](C)C1 ZINC000884265339 591888371 /nfs/dbraw/zinc/88/83/71/591888371.db2.gz FUDWKRDRQZAHAV-MBNYWOFBSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CC)C(=O)CNC/C=C/c1ccccc1 ZINC000134508604 591931358 /nfs/dbraw/zinc/93/13/58/591931358.db2.gz QJEZPVCTERMSDA-DHZHZOJOSA-N 0 1 246.354 2.158 20 0 BEADMN O=C(NOC1CCCC1)[C@@H]1Cc2ccccc21 ZINC000135357061 592009111 /nfs/dbraw/zinc/00/91/11/592009111.db2.gz DCUHGHXOBVFPRF-CYBMUJFWSA-N 0 1 231.295 2.317 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H]1CSC ZINC000135438254 592012486 /nfs/dbraw/zinc/01/24/86/592012486.db2.gz PWTSOQIRLHKVOK-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1CC1 ZINC000885258215 592061044 /nfs/dbraw/zinc/06/10/44/592061044.db2.gz GDRMUVBDVSEOKR-PELKAZGASA-N 0 1 234.299 2.029 20 0 BEADMN CC(C)OC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885260065 592061615 /nfs/dbraw/zinc/06/16/15/592061615.db2.gz CGJIBVLGXSSVCF-KWQFWETISA-N 0 1 222.288 2.027 20 0 BEADMN CCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885268920 592061914 /nfs/dbraw/zinc/06/19/14/592061914.db2.gz RRYGYBYJCZUIPZ-KWQFWETISA-N 0 1 222.288 2.029 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@H](C)CO1 ZINC000885940115 592111193 /nfs/dbraw/zinc/11/11/93/592111193.db2.gz BHVPMQAYSWHRSA-MHDGFBEUSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)[C@H](C)CO1 ZINC000885940115 592111195 /nfs/dbraw/zinc/11/11/95/592111195.db2.gz BHVPMQAYSWHRSA-MHDGFBEUSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@H]1C[C@]12CCOC2 ZINC000885941045 592111708 /nfs/dbraw/zinc/11/17/08/592111708.db2.gz YQUQGIQGBNHZMA-NFAWXSAZSA-N 0 1 246.354 2.291 20 0 BEADMN CN(Cc1ccsc1)C[C@@](C)(O)C(F)F ZINC000885940561 592112093 /nfs/dbraw/zinc/11/20/93/592112093.db2.gz MFDVVUMBYVZGSR-SNVBAGLBSA-N 0 1 235.299 2.196 20 0 BEADMN C(CN1CCSCC1)OC1CCCCC1 ZINC000885955803 592114914 /nfs/dbraw/zinc/11/49/14/592114914.db2.gz BEGBCWGZBKNGBZ-UHFFFAOYSA-N 0 1 229.389 2.385 20 0 BEADMN CC1(C)COCCN1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885964457 592116607 /nfs/dbraw/zinc/11/66/07/592116607.db2.gz AOMBHEMWHBOLSE-STQMWFEESA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)COCCN1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885964455 592116955 /nfs/dbraw/zinc/11/69/55/592116955.db2.gz AOMBHEMWHBOLSE-QWHCGFSZSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@H]1COCCCN1CCSC(F)(F)F ZINC000886080829 592143772 /nfs/dbraw/zinc/14/37/72/592143772.db2.gz GNDJPGPKJXMRPH-QMMMGPOBSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1coc(CNCCOCC2CCC2)c1 ZINC000886065053 592141820 /nfs/dbraw/zinc/14/18/20/592141820.db2.gz OKCWERPUJMGGHQ-UHFFFAOYSA-N 0 1 223.316 2.494 20 0 BEADMN C[C@@H]1COCCCN1CCSC(F)(F)F ZINC000886080828 592144443 /nfs/dbraw/zinc/14/44/43/592144443.db2.gz GNDJPGPKJXMRPH-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN C[C@H]1COCCN(CCSC(F)(F)F)C1 ZINC000886085889 592145535 /nfs/dbraw/zinc/14/55/35/592145535.db2.gz DZTXJTFAGBPYAA-MRVPVSSYSA-N 0 1 243.294 2.208 20 0 BEADMN CC[C@@H](NCc1cc(C)co1)[C@H](O)C(F)F ZINC000886132343 592159510 /nfs/dbraw/zinc/15/95/10/592159510.db2.gz VXUYQOVNOVZYNN-ZJUUUORDSA-N 0 1 233.258 2.082 20 0 BEADMN Cc1nnc([C@H](C)NCC[C@@H]2C[C@H]2C2CC2)o1 ZINC000886132404 592159954 /nfs/dbraw/zinc/15/99/54/592159954.db2.gz XEFWURSUTSVPPX-AXTRIDKLSA-N 0 1 235.331 2.465 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@]23C[C@H]2COC3)o1 ZINC000886201491 592174896 /nfs/dbraw/zinc/17/48/96/592174896.db2.gz GXYGWMRMWVFKGJ-JCRCQARHSA-N 0 1 233.311 2.282 20 0 BEADMN Cc1ccoc1CN(C)C[C@](C)(O)C(F)F ZINC000886215457 592178530 /nfs/dbraw/zinc/17/85/30/592178530.db2.gz KPDNFCMJDYSYPN-NSHDSACASA-N 0 1 233.258 2.036 20 0 BEADMN CC(C)OC[C@H](C)NCc1cc(C2CC2)no1 ZINC000886270544 592192072 /nfs/dbraw/zinc/19/20/72/592192072.db2.gz GRBOLUWTCSHTHD-JTQLQIEISA-N 0 1 238.331 2.455 20 0 BEADMN C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ncco1 ZINC000886272458 592192752 /nfs/dbraw/zinc/19/27/52/592192752.db2.gz QHJXOOWPASFNKM-MNOVXSKESA-N 0 1 236.315 2.427 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000886274454 592194832 /nfs/dbraw/zinc/19/48/32/592194832.db2.gz UAVBOKAUWLMOGL-LMLFDSFASA-N 0 1 224.304 2.281 20 0 BEADMN Cc1cn[nH]c1CN1CC2(CCCC2)OC[C@@H]1C ZINC000886283588 592200427 /nfs/dbraw/zinc/20/04/27/592200427.db2.gz AROMRDOXEQVAES-LBPRGKRZSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1cccc(NC(=O)[C@@H](C)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000886327579 592209605 /nfs/dbraw/zinc/20/96/05/592209605.db2.gz MQBYCBNHIFEWSY-UPJWGTAASA-N 0 1 244.338 2.274 20 0 BEADMN C[C@H](c1ccccc1)N1CCCn2nncc2C1 ZINC000886453059 592227274 /nfs/dbraw/zinc/22/72/74/592227274.db2.gz ZGKJOLXWNUDMNC-GFCCVEGCSA-N 0 1 242.326 2.245 20 0 BEADMN C[C@@H](NC1Cc2ccccc2C1)c1ncco1 ZINC000886530845 592247600 /nfs/dbraw/zinc/24/76/00/592247600.db2.gz RHXQQSUXBYUKHK-SNVBAGLBSA-N 0 1 228.295 2.493 20 0 BEADMN Cn1ccc(CN[C@@H]2CCc3cccnc32)c1 ZINC000886536176 592251036 /nfs/dbraw/zinc/25/10/36/592251036.db2.gz CAXBWDVWUAZSDB-CYBMUJFWSA-N 0 1 227.311 2.197 20 0 BEADMN COC(=O)CN1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886542805 592255852 /nfs/dbraw/zinc/25/58/52/592255852.db2.gz GMRFWRGFYVXVAJ-BXUZGUMPSA-N 0 1 233.311 2.243 20 0 BEADMN Cc1cnc(CN2C[C@@H]3CSC[C@@H]3C2)s1 ZINC000886568335 592261016 /nfs/dbraw/zinc/26/10/16/592261016.db2.gz HKNPUQDAUGXWDK-AOOOYVTPSA-N 0 1 240.397 2.246 20 0 BEADMN CC(C)=CC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000886589520 592268657 /nfs/dbraw/zinc/26/86/57/592268657.db2.gz YAXUUVGVENPSTQ-ZDUSSCGKSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1nccn1C ZINC000886702094 592307368 /nfs/dbraw/zinc/30/73/68/592307368.db2.gz ZZRVIPHYRIVLLN-NEPJUHHUSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCCF ZINC000887135934 592450829 /nfs/dbraw/zinc/45/08/29/592450829.db2.gz CEMDEAWEKRRBSU-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCCF ZINC000887138954 592452694 /nfs/dbraw/zinc/45/26/94/592452694.db2.gz SNDMXQRAEVBUEP-GFCCVEGCSA-N 0 1 246.370 2.171 20 0 BEADMN CCC1=NN(C2CCSCC2)C(=O)[C@@H]1C ZINC000887292983 592477332 /nfs/dbraw/zinc/47/73/32/592477332.db2.gz NXHWUVLZDVZOIM-MRVPVSSYSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n(C2CCSCC2)c(=O)c1C ZINC000887292983 592477334 /nfs/dbraw/zinc/47/73/34/592477334.db2.gz NXHWUVLZDVZOIM-MRVPVSSYSA-N 0 1 226.345 2.126 20 0 BEADMN C[C@H]1CCc2c1[nH]n(C1CCSCC1)c2=O ZINC000887292951 592477569 /nfs/dbraw/zinc/47/75/69/592477569.db2.gz MWUUWTQNJJWNKO-WCBMZHEXSA-N 0 1 238.356 2.126 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1[C@H]1CCCSC1 ZINC000887296778 592477966 /nfs/dbraw/zinc/47/79/66/592477966.db2.gz LDKMTRAAPWCEQG-JTQLQIEISA-N 0 1 238.356 2.270 20 0 BEADMN Cc1cn[nH]c1C[S@](=O)Cc1cccc(C)c1 ZINC000887374165 592496344 /nfs/dbraw/zinc/49/63/44/592496344.db2.gz FYSUZLBUDTYJTI-QGZVFWFLSA-N 0 1 248.351 2.475 20 0 BEADMN CCN(CC(=O)NCC(C)(C)C1CC1)C1CC1 ZINC000887376607 592498173 /nfs/dbraw/zinc/49/81/73/592498173.db2.gz GZXLMOARYXAYNH-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCn1cc(CN(C)C[C@@H]2CC=CCC2)nn1 ZINC000887546426 592522148 /nfs/dbraw/zinc/52/21/48/592522148.db2.gz QCAXZQDGOHXEPK-GFCCVEGCSA-N 0 1 234.347 2.086 20 0 BEADMN CSCCCN(C)Cc1cnc(Cl)cn1 ZINC000301005533 592526750 /nfs/dbraw/zinc/52/67/50/592526750.db2.gz NNHMOESFNLDFBR-UHFFFAOYSA-N 0 1 245.779 2.315 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H]2C2CCCC2)[nH]1 ZINC000889400974 592608490 /nfs/dbraw/zinc/60/84/90/592608490.db2.gz VGHZGPIRFWZKFI-GFCCVEGCSA-N 0 1 233.315 2.123 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CC[C@H]1C1CCCC1 ZINC000889407156 592609372 /nfs/dbraw/zinc/60/93/72/592609372.db2.gz KFQURCQLEFUXHF-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN CCC[C@](C)(NC(=O)CN(C)C)c1ccccc1 ZINC000889483988 592614008 /nfs/dbraw/zinc/61/40/08/592614008.db2.gz FPMUEMBQIYVULC-HNNXBMFYSA-N 0 1 248.370 2.380 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC000380664306 601450846 /nfs/dbraw/zinc/45/08/46/601450846.db2.gz WGMBWHMBCSBFAX-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN CCC(C)(C)CC[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000696712105 601515607 /nfs/dbraw/zinc/51/56/07/601515607.db2.gz NCOUHQLWQLQHNS-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN C[C@H](C[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000086774667 601504533 /nfs/dbraw/zinc/50/45/33/601504533.db2.gz YIYYVXYMMOAFGU-DYEKYZERSA-N 0 1 247.338 2.443 20 0 BEADMN CCCCCC[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223801346 601530207 /nfs/dbraw/zinc/53/02/07/601530207.db2.gz HVCOLOLJUWEWKA-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706965679 602206801 /nfs/dbraw/zinc/20/68/01/602206801.db2.gz NVAKNLQYKRDUML-AVGNSLFASA-N 0 1 231.295 2.297 20 0 BEADMN O=C([O-])N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000738646043 603326332 /nfs/dbraw/zinc/32/63/32/603326332.db2.gz UPFQVZIGCUYQIZ-UHFFFAOYSA-N 0 1 240.347 2.252 20 0 BEADMN COc1ccccc1C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000394891188 597073283 /nfs/dbraw/zinc/07/32/83/597073283.db2.gz ZXANIIGLRDEQND-JTQLQIEISA-N 0 1 249.310 2.133 20 0 BEADMN O=C([O-])CCCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000181563891 597786122 /nfs/dbraw/zinc/78/61/22/597786122.db2.gz QPWBCPYDHKXEQO-TXEJJXNPSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](c1ccncc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000394913400 597801864 /nfs/dbraw/zinc/80/18/64/597801864.db2.gz HRAHOIQGPOPJLZ-LLVKDONJSA-N 0 1 236.315 2.329 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC(=O)[O-])CC12CCC2 ZINC000390138713 597805555 /nfs/dbraw/zinc/80/55/55/597805555.db2.gz NKZFOYJBIPWPRJ-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094529185 598130247 /nfs/dbraw/zinc/13/02/47/598130247.db2.gz DXPOCEOSEPBTQM-ZDUSSCGKSA-N 0 1 245.322 2.471 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000235493177 598131815 /nfs/dbraw/zinc/13/18/15/598131815.db2.gz PTZKYZHLVXDAAD-LURJTMIESA-N 0 1 247.216 2.009 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])o1 ZINC000035297622 598132059 /nfs/dbraw/zinc/13/20/59/598132059.db2.gz ZBWYSIPEQZKLIC-NSHDSACASA-N 0 1 223.272 2.027 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000054298706 598151767 /nfs/dbraw/zinc/15/17/67/598151767.db2.gz UMVWQMDOFCZILW-SNVBAGLBSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1nc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000043433062 598208632 /nfs/dbraw/zinc/20/86/32/598208632.db2.gz BDCZNJSXPWDGAT-JTQLQIEISA-N 0 1 242.344 2.040 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1cccc(F)c1)C(=O)[O-] ZINC000088630396 601153188 /nfs/dbraw/zinc/15/31/88/601153188.db2.gz ZLRZYKXIPCVOJD-POHAHGRESA-N 0 1 237.274 2.288 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])CC(C)(C)C ZINC000045083793 599994182 /nfs/dbraw/zinc/99/41/82/599994182.db2.gz YUJYORDGXMQUOM-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CC[C@](C)([NH2+]Cc1nc2ccccc2o1)C(=O)[O-] ZINC000094228425 600563245 /nfs/dbraw/zinc/56/32/45/600563245.db2.gz CXMFEUKNNNWZAY-ZDUSSCGKSA-N 0 1 248.282 2.171 20 0 BEADMN Cc1cc(Cn2c[nH+]c(C)c2C)oc1C(=O)[O-] ZINC000051926182 600612382 /nfs/dbraw/zinc/61/23/82/600612382.db2.gz BFPKPJCPXNOVEO-UHFFFAOYSA-N 0 1 234.255 2.148 20 0 BEADMN Cc1[nH+]cn(Cc2cc(C(=O)[O-])oc2C)c1C ZINC000051926189 600612663 /nfs/dbraw/zinc/61/26/63/600612663.db2.gz XUQRFEPCTMGKHK-UHFFFAOYSA-N 0 1 234.255 2.148 20 0 BEADMN Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)[O-])o1 ZINC000818885376 600857366 /nfs/dbraw/zinc/85/73/66/600857366.db2.gz SBKKEYLYUFYBMS-GXSJLCMTSA-N 0 1 237.299 2.446 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000191402343 601005515 /nfs/dbraw/zinc/00/55/15/601005515.db2.gz CBKIIUOQQRRVNC-SECBINFHSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccncc1Cl ZINC000084085738 601113137 /nfs/dbraw/zinc/11/31/37/601113137.db2.gz OBZYBBUZVRXFSY-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])[C@H](C)C(C)C ZINC000706665099 601167496 /nfs/dbraw/zinc/16/74/96/601167496.db2.gz GCHMAUOSAHYOOO-PFEDMVJOSA-N 0 1 213.321 2.384 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1cccs1)C(=O)[O-] ZINC000084002377 601153340 /nfs/dbraw/zinc/15/33/40/601153340.db2.gz BIOZAELNULOBMZ-UITAMQMPSA-N 0 1 225.313 2.211 20 0 BEADMN C/C(=C/C[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000084003080 601159520 /nfs/dbraw/zinc/15/95/20/601159520.db2.gz DRJIABTXIWAYKV-YFHOEESVSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C\C[N@H+](C(C)C)C1CCC1)C(=O)[O-] ZINC000825724264 601171357 /nfs/dbraw/zinc/17/13/57/601171357.db2.gz LHMMSKHRKDLSIX-JXMROGBWSA-N 0 1 211.305 2.280 20 0 BEADMN CCC1CCC([N@@H+](C)CCC(=O)[O-])CC1 ZINC000042516222 601220185 /nfs/dbraw/zinc/22/01/85/601220185.db2.gz JPCJQZMVUDHJQV-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000086010568 601428528 /nfs/dbraw/zinc/42/85/28/601428528.db2.gz YETBTYGDEALGOK-DTORHVGOSA-N 0 1 223.272 2.066 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000380634015 601449008 /nfs/dbraw/zinc/44/90/08/601449008.db2.gz LHTQTFBKWJFAHO-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000380659739 601450797 /nfs/dbraw/zinc/45/07/97/601450797.db2.gz SJFYQSICNXFXIK-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000082557817 601504437 /nfs/dbraw/zinc/50/44/37/601504437.db2.gz OCMLZOBHUQXCKK-UWVGGRQHSA-N 0 1 213.321 2.075 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C1CCC(C)(C)CC1 ZINC000082250052 601543623 /nfs/dbraw/zinc/54/36/23/601543623.db2.gz WZTMEGDEAHTFFR-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740126124 601962679 /nfs/dbraw/zinc/96/26/79/601962679.db2.gz KKBKWQOPQNVLGI-ZDUSSCGKSA-N 0 1 248.326 2.085 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)s1 ZINC000706964314 602208308 /nfs/dbraw/zinc/20/83/08/602208308.db2.gz JSIINYHMYQIZPA-SCZZXKLOSA-N 0 1 237.324 2.431 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000738821183 602260360 /nfs/dbraw/zinc/26/03/60/602260360.db2.gz OZZRDTVPVRRQFO-QWRGUYRKSA-N 0 1 228.336 2.153 20 0 BEADMN O=C([O-])NC[C@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000740622206 602263773 /nfs/dbraw/zinc/26/37/73/602263773.db2.gz IGLWROFOALPYSE-NWDGAFQWSA-N 0 1 238.331 2.217 20 0 BEADMN CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739330666 602450705 /nfs/dbraw/zinc/45/07/05/602450705.db2.gz SUWAYPUGEUDYSE-NSHDSACASA-N 0 1 228.336 2.108 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[O-] ZINC000740183495 602556628 /nfs/dbraw/zinc/55/66/28/602556628.db2.gz KJZLHAXTINZRLH-LLVKDONJSA-N 0 1 236.315 2.083 20 0 BEADMN Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000740183496 602556505 /nfs/dbraw/zinc/55/65/05/602556505.db2.gz KJZLHAXTINZRLH-NSHDSACASA-N 0 1 236.315 2.083 20 0 BEADMN CC[C@@H](CNC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000739257382 602665511 /nfs/dbraw/zinc/66/55/11/602665511.db2.gz FMQLRHKRNFOMLA-ZDUSSCGKSA-N 0 1 248.326 2.091 20 0 BEADMN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000739586291 602679577 /nfs/dbraw/zinc/67/95/77/602679577.db2.gz QPTXTQZZPWTGID-NEPJUHHUSA-N 0 1 238.331 2.169 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738766824 602701951 /nfs/dbraw/zinc/70/19/51/602701951.db2.gz NPIWVONAZOCNCX-RYUDHWBXSA-N 0 1 242.363 2.353 20 0 BEADMN C[N@@H+](C[C@H]1CCCN(C(=O)[O-])C1)C1CCCC1 ZINC000739637361 602702393 /nfs/dbraw/zinc/70/23/93/602702393.db2.gz KADXJGSCVIJVPS-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739236416 602705242 /nfs/dbraw/zinc/70/52/42/602705242.db2.gz LOKWEVQFPNITGC-MNOVXSKESA-N 0 1 228.336 2.107 20 0 BEADMN C[C@@H]1CN(C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000739159342 602737215 /nfs/dbraw/zinc/73/72/15/602737215.db2.gz HFLITGNXNGHOMK-SNVBAGLBSA-N 0 1 228.336 2.107 20 0 BEADMN Cc1cccc(C[N@@H+]2CCN(C(=O)[O-])C[C@H]2C)c1 ZINC000740172252 602738388 /nfs/dbraw/zinc/73/83/88/602738388.db2.gz YJKZEMPTXVQVGX-GFCCVEGCSA-N 0 1 248.326 2.179 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739187797 602799422 /nfs/dbraw/zinc/79/94/22/602799422.db2.gz IMZOZUVCJMZVAR-WCQYABFASA-N 0 1 248.326 2.165 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739187798 602799660 /nfs/dbraw/zinc/79/96/60/602799660.db2.gz IMZOZUVCJMZVAR-YPMHNXCESA-N 0 1 248.326 2.165 20 0 BEADMN CC[N@@H+](CC1CCN(C(=O)[O-])CC1)C1CCC1 ZINC000739412489 602865769 /nfs/dbraw/zinc/86/57/69/602865769.db2.gz AEJVMUPJFJRFGQ-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN CC[N@@H+](CC(C)C)CC1CCN(C(=O)[O-])CC1 ZINC000739403220 602936876 /nfs/dbraw/zinc/93/68/76/602936876.db2.gz OQNNTZSYLWJXNS-UHFFFAOYSA-N 0 1 242.363 2.354 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000740659787 603082004 /nfs/dbraw/zinc/08/20/04/603082004.db2.gz VYEALGMIYXEUNQ-VIFPVBQESA-N 0 1 240.328 2.153 20 0 BEADMN C[N@@H+](CCNC(=O)[O-])Cc1cccc(Cl)c1 ZINC000739698328 603082598 /nfs/dbraw/zinc/08/25/98/603082598.db2.gz VWWOKFFJWCUTFS-UHFFFAOYSA-N 0 1 242.706 2.039 20 0 BEADMN Cc1ccc([C@@H](C)[N@@H+](C)CCNC(=O)[O-])cc1 ZINC000740113292 603084411 /nfs/dbraw/zinc/08/44/11/603084411.db2.gz LFYRBMKPIKWBRG-LLVKDONJSA-N 0 1 236.315 2.255 20 0 BEADMN C[C@@H]([N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000738944089 603323554 /nfs/dbraw/zinc/32/35/54/603323554.db2.gz ISGBVVNJRWFVGK-MNOVXSKESA-N 0 1 242.363 2.353 20 0 BEADMN C[C@@H]([N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000738944085 603324030 /nfs/dbraw/zinc/32/40/30/603324030.db2.gz ISGBVVNJRWFVGK-GHMZBOCLSA-N 0 1 242.363 2.353 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000739263110 603324593 /nfs/dbraw/zinc/32/45/93/603324593.db2.gz AFYVISFGUUAWLQ-NEPJUHHUSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739112546 603329823 /nfs/dbraw/zinc/32/98/23/603329823.db2.gz SFPQFXICRZUWPJ-NWDGAFQWSA-N 0 1 240.347 2.108 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358946 603346602 /nfs/dbraw/zinc/34/66/02/603346602.db2.gz SKPYIQZDTVUMLI-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)[C@H]1C ZINC000739112106 603349088 /nfs/dbraw/zinc/34/90/88/603349088.db2.gz RRLRGLMIRRDNJG-GRYCIOLGSA-N 0 1 240.347 2.107 20 0 BEADMN CCCCCC[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000737816902 603408174 /nfs/dbraw/zinc/40/81/74/603408174.db2.gz YHSFUSDDJMBYQZ-LLVKDONJSA-N 0 1 228.336 2.299 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000739184182 603411908 /nfs/dbraw/zinc/41/19/08/603411908.db2.gz VLRFCNCDUAXWLP-WDEREUQCSA-N 0 1 242.363 2.401 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739094620 603513863 /nfs/dbraw/zinc/51/38/63/603513863.db2.gz YNLZLPJJKMSFLP-GRYCIOLGSA-N 0 1 240.347 2.249 20 0 BEADMN C[N@@H+](CCCF)[C@@H](C(=O)[O-])c1ccccc1 ZINC000714952274 604476078 /nfs/dbraw/zinc/47/60/78/604476078.db2.gz DCTMWLCBPSWFRS-LLVKDONJSA-N 0 1 225.263 2.104 20 0 BEADMN C[C@H](C[N@@H+](C)CC1CCC(C)CC1)C(=O)[O-] ZINC000084340155 604582877 /nfs/dbraw/zinc/58/28/77/604582877.db2.gz NSOHGFMLHWBJIR-MOENNCHZSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccsc1 ZINC000037474309 604643061 /nfs/dbraw/zinc/64/30/61/604643061.db2.gz DOVUGZSRCULZKH-UHFFFAOYSA-N 0 1 227.329 2.433 20 0 BEADMN CC(C)(C)[C@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000166400968 605426508 /nfs/dbraw/zinc/42/65/08/605426508.db2.gz LJZOBZZHKHMNSM-QWRGUYRKSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739262796 605936517 /nfs/dbraw/zinc/93/65/17/605936517.db2.gz FOHGSYBZRRDVTB-QWHCGFSZSA-N 0 1 248.326 2.480 20 0 BEADMN C#CCN(CC#C)C[C@H]1C[C@H]1c1ccccc1 ZINC000093461479 634546184 /nfs/dbraw/zinc/54/61/84/634546184.db2.gz MKNPQFRKCQDQBL-CVEARBPZSA-N 0 1 223.319 2.359 20 0 BEADMN CCCc1ccccc1C(=O)Nc1nnc(C)[nH]1 ZINC000931904552 635404674 /nfs/dbraw/zinc/40/46/74/635404674.db2.gz AATUEWIXAVXRTQ-UHFFFAOYSA-N 0 1 244.298 2.318 20 0 BEADMN CCCc1ccccc1C(=O)Nc1nc(C)n[nH]1 ZINC000931904552 635404689 /nfs/dbraw/zinc/40/46/89/635404689.db2.gz AATUEWIXAVXRTQ-UHFFFAOYSA-N 0 1 244.298 2.318 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000924250979 635566984 /nfs/dbraw/zinc/56/69/84/635566984.db2.gz PKQTUPLWODIHNI-GXSJLCMTSA-N 0 1 249.314 2.464 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2CNOC2)c2sccc21 ZINC000925866953 635569726 /nfs/dbraw/zinc/56/97/26/635569726.db2.gz OHVTYGMTHGDGDZ-WCABBAIRSA-N 0 1 238.356 2.180 20 0 BEADMN C[C@H]1CC[C@H](N[C@H]2CNOC2)c2sccc21 ZINC000925866697 635570510 /nfs/dbraw/zinc/57/05/10/635570510.db2.gz OHVTYGMTHGDGDZ-QXEWZRGKSA-N 0 1 238.356 2.180 20 0 BEADMN c1nc(CN[C@H]2CCOC23CCCCC3)co1 ZINC000925869378 635580357 /nfs/dbraw/zinc/58/03/57/635580357.db2.gz KLGPQVUSUZCINC-LBPRGKRZSA-N 0 1 236.315 2.256 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(C)c(C)s1 ZINC000074673052 631236007 /nfs/dbraw/zinc/23/60/07/631236007.db2.gz DEUQLYAAPUPSBX-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN COC[C@H]1COCCN1CCCC(C)(C)C ZINC000933332100 631262897 /nfs/dbraw/zinc/26/28/97/631262897.db2.gz RBRJBTNUCGTYML-LBPRGKRZSA-N 0 1 229.364 2.160 20 0 BEADMN COC[C@@H](NC/C(Cl)=C/Cl)C1CC1 ZINC000308393555 631309787 /nfs/dbraw/zinc/30/97/87/631309787.db2.gz CETZNXZPOYTUOH-USYJTPIQSA-N 0 1 224.131 2.320 20 0 BEADMN CCOC1CCN(C/C=C\Cl)CC1 ZINC000308424002 631329357 /nfs/dbraw/zinc/32/93/57/631329357.db2.gz QBNKGMZUQFDQJF-UTCJRWHESA-N 0 1 203.713 2.240 20 0 BEADMN CCSCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000129882138 631469042 /nfs/dbraw/zinc/46/90/42/631469042.db2.gz KSKALIWZMWAUIE-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CCN(C)C(=O)CN(C)Cc1c(C)cccc1C ZINC000933769091 631507587 /nfs/dbraw/zinc/50/75/87/631507587.db2.gz VJOHDYWDTLWYAZ-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN Clc1csc(CNC[C@@H]2CCCO2)n1 ZINC000308725260 631555829 /nfs/dbraw/zinc/55/58/29/631555829.db2.gz GCCMZLCKWWLETP-ZETCQYMHSA-N 0 1 232.736 2.065 20 0 BEADMN OC[C@H]1CCN1[C@@H]1CCc2cc(Cl)ccc21 ZINC000934014015 631595524 /nfs/dbraw/zinc/59/55/24/631595524.db2.gz JLOOOKFUFMVYQR-DGCLKSJQSA-N 0 1 237.730 2.394 20 0 BEADMN c1cc(-c2ccncc2)n(CN2CCCCC2)n1 ZINC000067093942 635646873 /nfs/dbraw/zinc/64/68/73/635646873.db2.gz WVVOSRJOOILYIX-UHFFFAOYSA-N 0 1 242.326 2.389 20 0 BEADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]1CO ZINC000934025203 631601874 /nfs/dbraw/zinc/60/18/74/631601874.db2.gz ZOCHHFUOIAKGCV-STQMWFEESA-N 0 1 223.291 2.343 20 0 BEADMN OC[C@H]1CCN1CCCc1ccccc1Cl ZINC000934016952 631613662 /nfs/dbraw/zinc/61/36/62/631613662.db2.gz OYDJLZZAZOMLPE-GFCCVEGCSA-N 0 1 239.746 2.339 20 0 BEADMN Cc1nc(C(C)C)ccc1CN1CC[C@H]1CO ZINC000934018194 631616730 /nfs/dbraw/zinc/61/67/30/631616730.db2.gz KNDXYUAVCQVJIQ-ZDUSSCGKSA-N 0 1 234.343 2.080 20 0 BEADMN CCc1nc(C(C)C)ccc1CN1CC[C@@H]1CO ZINC000934020096 631619543 /nfs/dbraw/zinc/61/95/43/631619543.db2.gz VXCZJCIZMIBRAN-CYBMUJFWSA-N 0 1 248.370 2.334 20 0 BEADMN Cc1ccc2ncc(CN3CC[C@@H]3CO)cc2c1 ZINC000934019897 631621944 /nfs/dbraw/zinc/62/19/44/631621944.db2.gz SHUNCYIYKPJNRI-CQSZACIVSA-N 0 1 242.322 2.110 20 0 BEADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CC1)C(C)(C)C ZINC000308801812 631667276 /nfs/dbraw/zinc/66/72/76/631667276.db2.gz MVWJTHJLMASOGI-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN CCc1onc(C)c1C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934105928 631673024 /nfs/dbraw/zinc/67/30/24/631673024.db2.gz QQVRWVXPSUDWMK-WCQYABFASA-N 0 1 238.331 2.155 20 0 BEADMN CCc1onc(C)c1CN(C)[C@H]1CC[C@H]1OC ZINC000934105928 631673025 /nfs/dbraw/zinc/67/30/25/631673025.db2.gz QQVRWVXPSUDWMK-WCQYABFASA-N 0 1 238.331 2.155 20 0 BEADMN CS[C@H](C)c1nc([C@@H](N)C(C)C)no1 ZINC000308826420 631674172 /nfs/dbraw/zinc/67/41/72/631674172.db2.gz DTUXGAQWDPARHJ-RQJHMYQMSA-N 0 1 215.322 2.149 20 0 BEADMN CCCCOC(=O)CN(C)C[C@@H](C)CC ZINC000043447847 631792587 /nfs/dbraw/zinc/79/25/87/631792587.db2.gz AHCSNCAGJRGECJ-NSHDSACASA-N 0 1 215.337 2.308 20 0 BEADMN CC1(C[N@@H+](CC(=O)[O-])C2CC2)CCCC1 ZINC000309026423 631805669 /nfs/dbraw/zinc/80/56/69/631805669.db2.gz YEUVBMHTNLYHQZ-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[S@@](=O)CCNc1ccnc(C)c1Cl ZINC000309027326 631809367 /nfs/dbraw/zinc/80/93/67/631809367.db2.gz YWLLEJPCFYHBGT-OAHLLOKOSA-N 0 1 246.763 2.224 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1c(F)cccc1Cl ZINC000309047895 631823925 /nfs/dbraw/zinc/82/39/25/631823925.db2.gz PKLASCNRXANFFD-HTQZYQBOSA-N 0 1 231.698 2.338 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000158208847 631834903 /nfs/dbraw/zinc/83/49/03/631834903.db2.gz HQEYMHXEBFOCSE-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCCCCCn1cc([C@H](C)NC)nn1 ZINC000309111146 631885741 /nfs/dbraw/zinc/88/57/41/631885741.db2.gz OGOCDEMJIYOEQS-JTQLQIEISA-N 0 1 210.325 2.139 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000309132929 631903475 /nfs/dbraw/zinc/90/34/75/631903475.db2.gz HVIJQSGVAFKAMP-ZWNOBZJWSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000309156749 631913924 /nfs/dbraw/zinc/91/39/24/631913924.db2.gz BBCLJAGTBLOSGM-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@H]1CC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000309159801 631914245 /nfs/dbraw/zinc/91/42/45/631914245.db2.gz YMGYGVMYXZICBW-IONNQARKSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@H]1CC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000309159801 631914251 /nfs/dbraw/zinc/91/42/51/631914251.db2.gz YMGYGVMYXZICBW-IONNQARKSA-N 0 1 202.261 2.168 20 0 BEADMN C[C@H](c1ccccc1)N1CC[C@H](O)[C@@H](F)C1 ZINC000934578015 631950478 /nfs/dbraw/zinc/95/04/78/631950478.db2.gz YRORQBGYDXEBIR-WXHSDQCUSA-N 0 1 223.291 2.152 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000309247323 631982227 /nfs/dbraw/zinc/98/22/27/631982227.db2.gz YSJSHDIUTWJXDR-LLVKDONJSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2cccs2)o1 ZINC000309365575 632022674 /nfs/dbraw/zinc/02/26/74/632022674.db2.gz BCYRDHMUYXNXBZ-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@](O)(CN1CCOC(C)(C)C1)c1ccccc1 ZINC000052097027 632072517 /nfs/dbraw/zinc/07/25/17/632072517.db2.gz YZLTWBMPBHCVHY-HNNXBMFYSA-N 0 1 249.354 2.005 20 0 BEADMN FCCOc1cccc(NCc2cnc[nH]2)c1 ZINC000894132343 635699062 /nfs/dbraw/zinc/69/90/62/635699062.db2.gz YJWPMEBZQNHNRI-UHFFFAOYSA-N 0 1 235.262 2.370 20 0 BEADMN CC(F)(F)CN[C@@H]1CCCN2CCCC[C@H]12 ZINC000926486316 632126377 /nfs/dbraw/zinc/12/63/77/632126377.db2.gz MXTOWSQUKDCYGF-GHMZBOCLSA-N 0 1 232.318 2.248 20 0 BEADMN C[C@@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)C=CCC1 ZINC000934896848 632130690 /nfs/dbraw/zinc/13/06/90/632130690.db2.gz CSNNKPLXHUHVCW-SMDDNHRTSA-N 0 1 245.326 2.260 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C2(C)CC=CC2)n[nH]1 ZINC000934924955 632391155 /nfs/dbraw/zinc/39/11/55/632391155.db2.gz NRNGVLGWHKUULX-SNVBAGLBSA-N 0 1 247.342 2.122 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccnnc2)ccn1 ZINC000926501993 632397726 /nfs/dbraw/zinc/39/77/26/632397726.db2.gz BNJSOCBRBHYMPM-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN CCn1cc([C@@H](C)N[C@H](C)c2ccnnc2)cn1 ZINC000926542424 632466825 /nfs/dbraw/zinc/46/68/25/632466825.db2.gz NDWNCCRAUTUJHV-GHMZBOCLSA-N 0 1 245.330 2.105 20 0 BEADMN CC[C@@H](CCO)CNCc1nc(Cl)cs1 ZINC000308929311 632479280 /nfs/dbraw/zinc/47/92/80/632479280.db2.gz JBRGOVVNISOHJM-QMMMGPOBSA-N 0 1 248.779 2.295 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2(C)CC2)[C@@H](C)CN1C ZINC000935190574 632494129 /nfs/dbraw/zinc/49/41/29/632494129.db2.gz RCZRPZCFHNMPSD-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN O[C@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000308940338 632547637 /nfs/dbraw/zinc/54/76/37/632547637.db2.gz PWZMZLGBDHDBNM-YUMQZZPRSA-N 0 1 246.763 2.190 20 0 BEADMN CC[C@H](N[C@H](C)c1ncco1)[C@@H](O)C(C)C ZINC000926589436 632598137 /nfs/dbraw/zinc/59/81/37/632598137.db2.gz MPWOGDCMFZEWFL-VWYCJHECSA-N 0 1 226.320 2.121 20 0 BEADMN COCC1(NCc2cccnc2Cl)CC1 ZINC000309054311 632630358 /nfs/dbraw/zinc/63/03/58/632630358.db2.gz SSFIDRQYRMEDET-UHFFFAOYSA-N 0 1 226.707 2.004 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NC/C(Cl)=C/Cl ZINC000235438173 632735345 /nfs/dbraw/zinc/73/53/45/632735345.db2.gz CYARENWZAZOVRX-YJMLGRAPSA-N 0 1 224.131 2.463 20 0 BEADMN CCc1noc([C@H]2CCCN2C(C)C)n1 ZINC000923778460 632805089 /nfs/dbraw/zinc/80/50/89/632805089.db2.gz ZYDOWRBUUXNZEL-SECBINFHSA-N 0 1 209.293 2.177 20 0 BEADMN Cc1cncc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000235672566 632813027 /nfs/dbraw/zinc/81/30/27/632813027.db2.gz KUPVEKOOXBYWAH-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN COc1ccnc([C@H](C)N[C@@H]2C=CCC2)c1 ZINC000926692003 632827040 /nfs/dbraw/zinc/82/70/40/632827040.db2.gz UWCSAWCJARNARK-WDEREUQCSA-N 0 1 218.300 2.459 20 0 BEADMN CCCc1ccc(C(=O)Nc2c[nH]nn2)s1 ZINC000935594042 632844323 /nfs/dbraw/zinc/84/43/23/632844323.db2.gz BUMJKKZGMDKBAM-UHFFFAOYSA-N 0 1 236.300 2.071 20 0 BEADMN CC1(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CCCC1 ZINC000309259258 632851424 /nfs/dbraw/zinc/85/14/24/632851424.db2.gz BKTZOOUNERXMBM-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000935597841 632852020 /nfs/dbraw/zinc/85/20/20/632852020.db2.gz OSILAEZBUGRMDM-GARJFASQSA-N 0 1 248.330 2.350 20 0 BEADMN C[C@H](NC[C@H]1CCOC1(C)C)c1ncco1 ZINC000926726078 632884275 /nfs/dbraw/zinc/88/42/75/632884275.db2.gz GZHMFKABIOTTQX-VHSXEESVSA-N 0 1 224.304 2.140 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(O)cc(F)c1 ZINC000926726548 632886786 /nfs/dbraw/zinc/88/67/86/632886786.db2.gz ITJBBPLIJFUIRD-CKLFPEKLSA-N 0 1 239.290 2.359 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc2c1OCO2 ZINC000926728385 632892271 /nfs/dbraw/zinc/89/22/71/632892271.db2.gz UJKULHKBPMSKJK-IUPBHXKESA-N 0 1 249.310 2.243 20 0 BEADMN Cc1ccc([C@H](NCCO)c2cccnc2)cc1 ZINC000924568248 632899758 /nfs/dbraw/zinc/89/97/58/632899758.db2.gz AALZAAKKOVHNGU-HNNXBMFYSA-N 0 1 242.322 2.061 20 0 BEADMN CCC[C@H](NCCO)c1ncccc1Cl ZINC000924570816 632925425 /nfs/dbraw/zinc/92/54/25/632925425.db2.gz QEVAIJGIIDSQBW-JTQLQIEISA-N 0 1 228.723 2.158 20 0 BEADMN Cc1cc(CNCC2(CO)CCCCC2)no1 ZINC000161561446 633008549 /nfs/dbraw/zinc/00/85/49/633008549.db2.gz VBHOAAATVYKVLO-UHFFFAOYSA-N 0 1 238.331 2.015 20 0 BEADMN CC[C@@H](NCc1ccoc1)[C@@H](O)C(F)(F)F ZINC000309413283 633032905 /nfs/dbraw/zinc/03/29/05/633032905.db2.gz CDLISFMVAONYJF-RKDXNWHRSA-N 0 1 237.221 2.071 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2ccccc2)n1 ZINC000048687033 635890580 /nfs/dbraw/zinc/89/05/80/635890580.db2.gz NGENWHOVHHYUHD-SNVBAGLBSA-N 0 1 217.272 2.392 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1cccc(F)c1 ZINC000924582850 633062260 /nfs/dbraw/zinc/06/22/60/633062260.db2.gz NSKHLOJJNVDGRV-VIFPVBQESA-N 0 1 249.289 2.410 20 0 BEADMN CN(C)[C@@H](CNc1nccs1)c1ccco1 ZINC000309465379 633104121 /nfs/dbraw/zinc/10/41/21/633104121.db2.gz PESGSTZDXRYZAH-VIFPVBQESA-N 0 1 237.328 2.451 20 0 BEADMN CN(C)[C@H](CNc1nccs1)c1ccco1 ZINC000309465378 633104813 /nfs/dbraw/zinc/10/48/13/633104813.db2.gz PESGSTZDXRYZAH-SECBINFHSA-N 0 1 237.328 2.451 20 0 BEADMN CS/C=C\c1nc(C2(N)CCCC2)no1 ZINC000309472958 633130675 /nfs/dbraw/zinc/13/06/75/633130675.db2.gz RIVFABJKVKIELW-DAXSKMNVSA-N 0 1 225.317 2.131 20 0 BEADMN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccoc1 ZINC000167838469 633134346 /nfs/dbraw/zinc/13/43/46/633134346.db2.gz TWEKGPUVEMIYJX-QLJPJBMISA-N 0 1 243.372 2.477 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000909412330 635957140 /nfs/dbraw/zinc/95/71/40/635957140.db2.gz AZNGDBSQLCJHJI-GRYCIOLGSA-N 0 1 249.358 2.283 20 0 BEADMN Brc1ccc(CNC2CSC2)o1 ZINC000306434296 635966619 /nfs/dbraw/zinc/96/66/19/635966619.db2.gz ZOMVWSRVKPCBMM-UHFFFAOYSA-N 0 1 248.145 2.247 20 0 BEADMN CN(Cn1cc(Br)cn1)C1CCC1 ZINC000306501792 635967930 /nfs/dbraw/zinc/96/79/30/635967930.db2.gz HAWPDPKVCDYDQY-UHFFFAOYSA-N 0 1 244.136 2.087 20 0 BEADMN CC1(C)OCC[C@@H]1NC/C(Cl)=C/Cl ZINC000306756474 635974539 /nfs/dbraw/zinc/97/45/39/635974539.db2.gz QKVODJLXMZHAAL-TVSKSKRASA-N 0 1 224.131 2.463 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])cs1 ZINC000306731059 635975104 /nfs/dbraw/zinc/97/51/04/635975104.db2.gz QFPIHVACNDZMFC-JTQLQIEISA-N 0 1 225.313 2.106 20 0 BEADMN CSCC[C@H](C)N[C@H](C)c1nonc1C ZINC000925098147 636006118 /nfs/dbraw/zinc/00/61/18/636006118.db2.gz UUFVIEMVMTUZSU-JGVFFNPUSA-N 0 1 229.349 2.170 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CC[C@H]2C)s1 ZINC000307266624 635985455 /nfs/dbraw/zinc/98/54/55/635985455.db2.gz DAAVWIYSLLTEFH-FJXKBIBVSA-N 0 1 211.334 2.296 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@H](C)CSC)n1 ZINC000925096092 636002209 /nfs/dbraw/zinc/00/22/09/636002209.db2.gz MGZXAGKQMSLBEJ-RKDXNWHRSA-N 0 1 242.392 2.009 20 0 BEADMN CCN1[C@H](C)CN(c2nccs2)C[C@@H]1C ZINC000895101961 636057289 /nfs/dbraw/zinc/05/72/89/636057289.db2.gz PZDSHEKSBLOMLL-AOOOYVTPSA-N 0 1 225.361 2.062 20 0 BEADMN CCc1ccccc1CN[C@H](C)c1cnnn1C ZINC000925114266 636080276 /nfs/dbraw/zinc/08/02/76/636080276.db2.gz MZHYEEKWFUCDEG-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN C[C@H](Nc1cc(C(C)(C)C)cc[nH+]1)C(=O)[O-] ZINC000212512865 636098306 /nfs/dbraw/zinc/09/83/06/636098306.db2.gz GJJYTUWIVHEEMQ-QMMMGPOBSA-N 0 1 222.288 2.264 20 0 BEADMN C[C@@H](CCC(C)(C)C)C(=O)NC[C@@H]1CCN1C ZINC000928560826 636105919 /nfs/dbraw/zinc/10/59/19/636105919.db2.gz WHQMZGKREWKWJX-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C)CCCCC(=O)NC[C@H]1CCN1C ZINC000928560226 636106100 /nfs/dbraw/zinc/10/61/00/636106100.db2.gz QZCOEPQSGKWGRR-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1ocnc1C ZINC000895228688 636123402 /nfs/dbraw/zinc/12/34/02/636123402.db2.gz AMVUXACKCWZGQM-LBPRGKRZSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1cc(F)ccc1CN1CCCOCC1 ZINC000335463086 636126351 /nfs/dbraw/zinc/12/63/51/636126351.db2.gz SCYRQGMHXGPGRF-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN C[C@H]1CC[C@H]1NCc1noc2c1CCCC2 ZINC000309782308 633735916 /nfs/dbraw/zinc/73/59/16/633735916.db2.gz NEACBGKRRHDCRQ-GXSJLCMTSA-N 0 1 220.316 2.442 20 0 BEADMN Cc1ccc(OC[C@H](C)NCc2cc[nH]n2)cc1 ZINC000040499579 633816484 /nfs/dbraw/zinc/81/64/84/633816484.db2.gz PSMVAXVTNVDRFU-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN CCCSC[C@@H](C)NCc1ccon1 ZINC000893098399 633831380 /nfs/dbraw/zinc/83/13/80/633831380.db2.gz MXXGMAQJACWJSW-SECBINFHSA-N 0 1 214.334 2.296 20 0 BEADMN CCCSC[C@H](C)NCc1ccon1 ZINC000893098400 633832269 /nfs/dbraw/zinc/83/22/69/633832269.db2.gz MXXGMAQJACWJSW-VIFPVBQESA-N 0 1 214.334 2.296 20 0 BEADMN CC1CC(CN2CCOC[C@H]2CC(F)F)C1 ZINC000930468753 633841022 /nfs/dbraw/zinc/84/10/22/633841022.db2.gz GMWHJOPNOJEZQQ-VQXHTEKXSA-N 0 1 233.302 2.389 20 0 BEADMN CC(C)SCc1nc([C@@H](N)C(C)C)no1 ZINC000309511462 633940870 /nfs/dbraw/zinc/94/08/70/633940870.db2.gz XLLFSVMENZEJMW-VIFPVBQESA-N 0 1 229.349 2.367 20 0 BEADMN CC(C)SCc1nc([C@H](N)C(C)C)no1 ZINC000309511459 633940525 /nfs/dbraw/zinc/94/05/25/633940525.db2.gz XLLFSVMENZEJMW-SECBINFHSA-N 0 1 229.349 2.367 20 0 BEADMN C[C@@H](NC1COC(C)(C)OC1)c1ccoc1 ZINC000309572905 633956928 /nfs/dbraw/zinc/95/69/28/633956928.db2.gz OCKLFVKWPNUDOA-SECBINFHSA-N 0 1 225.288 2.082 20 0 BEADMN Cc1nc(CNC2CCC(C)(O)CC2)cs1 ZINC000309625986 633975596 /nfs/dbraw/zinc/97/55/96/633975596.db2.gz FTTCDOYHEFNMIY-UHFFFAOYSA-N 0 1 240.372 2.235 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncccn1 ZINC000930665715 634004316 /nfs/dbraw/zinc/00/43/16/634004316.db2.gz PQPLQBRRFXZLFS-YNEHKIRRSA-N 0 1 249.358 2.475 20 0 BEADMN CCc1cnc(CNCCOC2CCC2)s1 ZINC000309976718 634010938 /nfs/dbraw/zinc/01/09/38/634010938.db2.gz TXMTZCUOCXLEEK-UHFFFAOYSA-N 0 1 240.372 2.364 20 0 BEADMN CC(C)n1cncc1C[N@H+]1CC[C@@H](CF)C1 ZINC000895569079 636159150 /nfs/dbraw/zinc/15/91/50/636159150.db2.gz RYQXPCBZYDWMQB-NSHDSACASA-N 0 1 225.311 2.255 20 0 BEADMN Cc1c(C[N@H+]2CC[C@@H](CF)C2)ccnc1F ZINC000895569393 636159309 /nfs/dbraw/zinc/15/93/09/636159309.db2.gz VTLJHHBUXTVMMW-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN Cc1ncc(CN2CC[C@H](c3nccs3)C2)o1 ZINC000895580589 636162139 /nfs/dbraw/zinc/16/21/39/636162139.db2.gz BTMYZWBBZXLYBL-JTQLQIEISA-N 0 1 249.339 2.429 20 0 BEADMN CN(Cc1ccnn1C1CCC1)CC1(C)COC1 ZINC000895581794 636163959 /nfs/dbraw/zinc/16/39/59/636163959.db2.gz SISSOLOWTKRDIJ-UHFFFAOYSA-N 0 1 249.358 2.076 20 0 BEADMN CCc1ncc(CN(CC)CCSC)o1 ZINC000930828284 634127428 /nfs/dbraw/zinc/12/74/28/634127428.db2.gz ZRJNVJSXNDSDTI-UHFFFAOYSA-N 0 1 228.361 2.422 20 0 BEADMN CCc1ncc(CN(CC)[C@H]2CCCOC2)o1 ZINC000930853796 634136753 /nfs/dbraw/zinc/13/67/53/634136753.db2.gz YJRUPSYBFIRZRG-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ccccc1CN1CCC2(C1)OCCO2 ZINC000189181903 634170218 /nfs/dbraw/zinc/17/02/18/634170218.db2.gz MLXZDNICNGDEAZ-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN COC/C(C)=C/CN1CCO[C@@](C)(C2CC2)C1 ZINC000930922891 634180433 /nfs/dbraw/zinc/18/04/33/634180433.db2.gz IGWATXXGMZMHKF-TZWLIRKLSA-N 0 1 239.359 2.080 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000193979423 634301802 /nfs/dbraw/zinc/30/18/02/634301802.db2.gz PUHTVPSSLQGWOX-OLZOCXBDSA-N 0 1 225.332 2.180 20 0 BEADMN C#C[C@@H](C)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000162780461 634359017 /nfs/dbraw/zinc/35/90/17/634359017.db2.gz WUUIXROGVKSNEC-OLZOCXBDSA-N 0 1 237.343 2.062 20 0 BEADMN CCn1cc(N[C@@H]2CCCc3[nH]ncc32)cn1 ZINC000336399625 635148906 /nfs/dbraw/zinc/14/89/06/635148906.db2.gz VVBLAUXJGMZRQR-LLVKDONJSA-N 0 1 231.303 2.116 20 0 BEADMN CC(C)C[N@@H+](Cc1oncc1C(=O)[O-])C(C)C ZINC000304635914 635298333 /nfs/dbraw/zinc/29/83/33/635298333.db2.gz RKECADZKWZPWOX-UHFFFAOYSA-N 0 1 240.303 2.239 20 0 BEADMN CC[C@H](CO)NCc1ccc(Cl)nc1Cl ZINC000931775287 635337888 /nfs/dbraw/zinc/33/78/88/635337888.db2.gz VJOJXQAGPFVTJG-MRVPVSSYSA-N 0 1 249.141 2.249 20 0 BEADMN CCc1nc(CN[C@H](C)C(C)(C)CO)cs1 ZINC000924997666 635836498 /nfs/dbraw/zinc/83/64/98/635836498.db2.gz HDDHRABNJGHQOY-SECBINFHSA-N 0 1 242.388 2.202 20 0 BEADMN CC(C)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000895469848 636146757 /nfs/dbraw/zinc/14/67/57/636146757.db2.gz LOYPQOARTBRVER-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(CNCc2nc(C(F)F)no2)CCC1 ZINC000895726393 636174873 /nfs/dbraw/zinc/17/48/73/636174873.db2.gz YFOGNIQFAPFSCS-UHFFFAOYSA-N 0 1 231.246 2.287 20 0 BEADMN C[C@H](NCc1nc(C(F)F)no1)C1CCC1 ZINC000895725483 636175152 /nfs/dbraw/zinc/17/51/52/636175152.db2.gz MRVCXDHLOGJSDY-LURJTMIESA-N 0 1 231.246 2.285 20 0 BEADMN COCC1CN(Cc2scnc2C2CC2)C1 ZINC000895970396 636184728 /nfs/dbraw/zinc/18/47/28/636184728.db2.gz VYWCNYAPUZBBJH-UHFFFAOYSA-N 0 1 238.356 2.099 20 0 BEADMN CC(C)c1ccc(NC(=O)CN(C)C(C)C)cn1 ZINC000928621757 636203430 /nfs/dbraw/zinc/20/34/30/636203430.db2.gz LLFTYVCYYMANBV-UHFFFAOYSA-N 0 1 249.358 2.484 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@H](C)c1nnc(C)o1 ZINC000842152078 636251354 /nfs/dbraw/zinc/25/13/54/636251354.db2.gz DSGVQIIDRBHYEH-QNSHHTMESA-N 0 1 209.293 2.075 20 0 BEADMN Cc1cc(CN2CC[C@](C)(O)C2)cc(Cl)n1 ZINC000320574401 636278367 /nfs/dbraw/zinc/27/83/67/636278367.db2.gz RDXQQXYHUBGYLZ-LBPRGKRZSA-N 0 1 240.734 2.000 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NC/C(Cl)=C/Cl ZINC000168224293 636328770 /nfs/dbraw/zinc/32/87/70/636328770.db2.gz WOFSGSPBMUKGIW-VFYBFDEHSA-N 0 1 224.131 2.054 20 0 BEADMN CCC[C@H](CCO)CN[C@@H](C)c1ncco1 ZINC000925185239 636361346 /nfs/dbraw/zinc/36/13/46/636361346.db2.gz AJZVBSBZWNESDP-WDEREUQCSA-N 0 1 226.320 2.124 20 0 BEADMN C[C@@H](N[C@@H]1CCCc2[nH]ccc21)c1cn(C)cn1 ZINC000925224077 636416105 /nfs/dbraw/zinc/41/61/05/636416105.db2.gz DJZJSHJXMKRPOF-ZWNOBZJWSA-N 0 1 244.342 2.476 20 0 BEADMN CC[C@H]1CC[C@H]1NCc1noc2c1COCC2 ZINC000897366703 636496225 /nfs/dbraw/zinc/49/62/25/636496225.db2.gz ORVVFPZBFXDDHK-GXSJLCMTSA-N 0 1 236.315 2.026 20 0 BEADMN CCCC[C@@H](C)NCc1noc2c1COCC2 ZINC000897367318 636497187 /nfs/dbraw/zinc/49/71/87/636497187.db2.gz ZAFHJRFPFHCSPI-SNVBAGLBSA-N 0 1 238.331 2.416 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccnc(F)c2)c1=O ZINC000871953538 636543187 /nfs/dbraw/zinc/54/31/87/636543187.db2.gz UFWQXQXTABPJEP-SNVBAGLBSA-N 0 1 235.262 2.360 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@@H]1CC[C@H]1C1CCC1 ZINC000840996253 636617159 /nfs/dbraw/zinc/61/71/59/636617159.db2.gz IOXQSEUFCSBSKF-QJPTWQEYSA-N 0 1 223.316 2.114 20 0 BEADMN Cc1occc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000321332435 636635691 /nfs/dbraw/zinc/63/56/91/636635691.db2.gz ZJMHIMSARVGUJJ-SKDRFNHKSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CCOC2)cc(Cl)n1 ZINC000321336925 636636586 /nfs/dbraw/zinc/63/65/86/636636586.db2.gz QJYRRFUBQJBUHW-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000321580085 636654672 /nfs/dbraw/zinc/65/46/72/636654672.db2.gz OHKJJXYZUMHLLE-RWMBFGLXSA-N 0 1 249.310 2.273 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000897495941 636723928 /nfs/dbraw/zinc/72/39/28/636723928.db2.gz HCGDQKMVWQTDLN-UTUOFQBUSA-N 0 1 238.375 2.164 20 0 BEADMN Nc1nc2c(c(NC/C=C\Cl)n1)CCCC2 ZINC000897504769 636728974 /nfs/dbraw/zinc/72/89/74/636728974.db2.gz ZJVZZLLFHPWECK-UTCJRWHESA-N 0 1 238.722 2.102 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC000897887408 636844043 /nfs/dbraw/zinc/84/40/43/636844043.db2.gz JHHFZLLSIGJBFZ-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897898728 636845514 /nfs/dbraw/zinc/84/55/14/636845514.db2.gz QVLOQZYWDFFRHA-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ccc(O)c(CN[C@H](C)c2cncs2)n1 ZINC000897934073 636847357 /nfs/dbraw/zinc/84/73/57/636847357.db2.gz DESSUBOTUXOTLJ-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN C[C@H](NCc1cc[nH]c1)c1cncs1 ZINC000897933904 636847422 /nfs/dbraw/zinc/84/74/22/636847422.db2.gz BFONMCBTWMPJGE-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1ccc(CN[C@H](C)c2ccnnc2)cn1 ZINC000924693750 636997845 /nfs/dbraw/zinc/99/78/45/636997845.db2.gz AAMBFZSDYLRZBQ-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN Cc1cc(C(C#N)C(=O)CC(C)C)nc(C)n1 ZINC000041574300 637010744 /nfs/dbraw/zinc/01/07/44/637010744.db2.gz NYUSPVMAVDMMBL-NSHDSACASA-N 0 1 231.299 2.316 20 0 BEADMN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2F)o1 ZINC000041582504 637012261 /nfs/dbraw/zinc/01/22/61/637012261.db2.gz PNPVVHNCFRQQKU-UHFFFAOYSA-N 0 1 249.241 2.407 20 0 BEADMN CCOCCCCN[C@H](C)c1ncco1 ZINC000924710052 637019084 /nfs/dbraw/zinc/01/90/84/637019084.db2.gz GNWAZCZOYOXHJX-SNVBAGLBSA-N 0 1 212.293 2.142 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCC1=CCCC1 ZINC000898976863 637067381 /nfs/dbraw/zinc/06/73/81/637067381.db2.gz CGYWQNWYZUILKN-LBPRGKRZSA-N 0 1 236.359 2.086 20 0 BEADMN c1cn2c(n1)[C@H](NC1([C@@H]3CCCCO3)CC1)CC2 ZINC000927159130 637068735 /nfs/dbraw/zinc/06/87/35/637068735.db2.gz LNVLTYFIOXEWCQ-NEPJUHHUSA-N 0 1 247.342 2.019 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000901427050 637252013 /nfs/dbraw/zinc/25/20/13/637252013.db2.gz ZSJVXUFHKCMLFU-UHFFFAOYSA-N 0 1 232.283 2.074 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])CC1CCSCC1 ZINC000901589223 637263146 /nfs/dbraw/zinc/26/31/46/637263146.db2.gz MPHRXCVYGTYWEM-UHFFFAOYSA-N 0 1 245.388 2.172 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(Cl)o1 ZINC000901590691 637264049 /nfs/dbraw/zinc/26/40/49/637264049.db2.gz QLZDWYBVZFPXNG-UHFFFAOYSA-N 0 1 245.706 2.476 20 0 BEADMN Cc1c(Cl)cccc1C[N@@H+](C)CC(=O)[O-] ZINC000901573765 637266525 /nfs/dbraw/zinc/26/65/25/637266525.db2.gz BRWPXMZBRDNNIH-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN COC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000042518193 637277376 /nfs/dbraw/zinc/27/73/76/637277376.db2.gz CKMCPRLFVGWMDL-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN COC[C@@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000042518193 637277383 /nfs/dbraw/zinc/27/73/83/637277383.db2.gz CKMCPRLFVGWMDL-SECBINFHSA-N 0 1 228.723 2.202 20 0 BEADMN CCC(F)(F)CN[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903069801 637340707 /nfs/dbraw/zinc/34/07/07/637340707.db2.gz JRFULCHDPYCRDS-PREPNJAASA-N 0 1 245.313 2.435 20 0 BEADMN CCOC(=O)c1cc(-c2ncccc2CC)n[nH]1 ZINC000904809439 637481257 /nfs/dbraw/zinc/48/12/57/637481257.db2.gz GNWPFEUBIBOABF-UHFFFAOYSA-N 0 1 245.282 2.211 20 0 BEADMN CN(Cc1cn(CCCCF)nn1)C(C)(C)C ZINC000905057563 637590155 /nfs/dbraw/zinc/59/01/55/637590155.db2.gz RWXYLWUKWXYPNZ-UHFFFAOYSA-N 0 1 242.342 2.258 20 0 BEADMN CC[C@@H](c1ccccc1)[S@@](=O)Cc1c[nH]nn1 ZINC000905165594 637678028 /nfs/dbraw/zinc/67/80/28/637678028.db2.gz JGRIWZUGOUZBSB-SJCJKPOMSA-N 0 1 249.339 2.205 20 0 BEADMN c1[nH]cc(C2CC2)c1-c1nc([C@@H]2CCCN2)no1 ZINC000905304897 637762641 /nfs/dbraw/zinc/76/26/41/637762641.db2.gz NRFDDLDEEQXNLA-NSHDSACASA-N 0 1 244.298 2.367 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCCC3)no2)nc1 ZINC000905306268 637764708 /nfs/dbraw/zinc/76/47/08/637764708.db2.gz XGLQABBLTQRPNW-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1c(C)nsc1C ZINC000905369339 637789224 /nfs/dbraw/zinc/78/92/24/637789224.db2.gz LKZURJAWBMYRJE-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN CC(C)(C(=O)Nc1ccccn1)N1CCCCC1 ZINC000905750620 637898392 /nfs/dbraw/zinc/89/83/92/637898392.db2.gz WTDDESVGTPTGKY-UHFFFAOYSA-N 0 1 247.342 2.285 20 0 BEADMN CC[C@@H](C)CCNCc1cc(COC)on1 ZINC000668487886 637931616 /nfs/dbraw/zinc/93/16/16/637931616.db2.gz XHJWGJORRFJEIB-SNVBAGLBSA-N 0 1 226.320 2.347 20 0 BEADMN CN(Cc1cn(C/C=C\Cl)nn1)C(C)(C)C ZINC000905815921 637944498 /nfs/dbraw/zinc/94/44/98/637944498.db2.gz MZIIOUYSADQKIO-WAYWQWQTSA-N 0 1 242.754 2.261 20 0 BEADMN CC[C@@](O)(CNCc1ccco1)C(F)(F)F ZINC000905867290 637952388 /nfs/dbraw/zinc/95/23/88/637952388.db2.gz BOTSVWUWCLHVLG-SECBINFHSA-N 0 1 237.221 2.073 20 0 BEADMN Cc1cccc([C@H](O)CN2CCSCC2)c1 ZINC000905909245 637972538 /nfs/dbraw/zinc/97/25/38/637972538.db2.gz MEQZFBMXKJXJPE-CYBMUJFWSA-N 0 1 237.368 2.077 20 0 BEADMN CC[C@](O)(CN1CC(C)(C)C1)C(F)(F)F ZINC000905952007 637997599 /nfs/dbraw/zinc/99/75/99/637997599.db2.gz CYEZEWRJGALSJU-VIFPVBQESA-N 0 1 225.254 2.032 20 0 BEADMN CNCc1ncc(-c2cccc3c2CCC3)cn1 ZINC000906174068 638086009 /nfs/dbraw/zinc/08/60/09/638086009.db2.gz WTKQTMMNFPALSS-UHFFFAOYSA-N 0 1 239.322 2.352 20 0 BEADMN CC(C)N(Cc1cn(C2CC2)nn1)C1CCC1 ZINC000906278499 638126035 /nfs/dbraw/zinc/12/60/35/638126035.db2.gz ZTWPVLDLBSRJLP-UHFFFAOYSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@H]1CCC[C@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906267066 638130423 /nfs/dbraw/zinc/13/04/23/638130423.db2.gz NZCKIDVKXXQYPO-QWRGUYRKSA-N 0 1 234.347 2.376 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906287623 638132209 /nfs/dbraw/zinc/13/22/09/638132209.db2.gz RZNOPBITXGYQQN-ZYHUDNBSSA-N 0 1 234.347 2.376 20 0 BEADMN c1c(CN2CCC[C@H]3CCC[C@@H]32)nnn1C1CC1 ZINC000906269069 638132684 /nfs/dbraw/zinc/13/26/84/638132684.db2.gz DNYJBTXWVMVQIX-RISCZKNCSA-N 0 1 246.358 2.378 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906287621 638132828 /nfs/dbraw/zinc/13/28/28/638132828.db2.gz RZNOPBITXGYQQN-JQWIXIFHSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1cn(C2CC2)nn1 ZINC000906308757 638138567 /nfs/dbraw/zinc/13/85/67/638138567.db2.gz BQCHSICTEOANEV-SNVBAGLBSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1cn(C2CC2)nn1 ZINC000906308755 638139369 /nfs/dbraw/zinc/13/93/69/638139369.db2.gz BQCHSICTEOANEV-JTQLQIEISA-N 0 1 234.347 2.233 20 0 BEADMN c1c(C[N@H+]2CCC[C@H](C3CC3)C2)nnn1C1CC1 ZINC000906306046 638139382 /nfs/dbraw/zinc/13/93/82/638139382.db2.gz JEUNSLCEHLPSQP-LBPRGKRZSA-N 0 1 246.358 2.235 20 0 BEADMN c1c(CN2CCC[C@H](C3CC3)C2)nnn1C1CC1 ZINC000906306046 638139386 /nfs/dbraw/zinc/13/93/86/638139386.db2.gz JEUNSLCEHLPSQP-LBPRGKRZSA-N 0 1 246.358 2.235 20 0 BEADMN c1c(CN2CC[C@H](C3CCC3)C2)nnn1C1CC1 ZINC000906309966 638140457 /nfs/dbraw/zinc/14/04/57/638140457.db2.gz OZKRWMZTGFFPFH-LBPRGKRZSA-N 0 1 246.358 2.235 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H]1CC ZINC000043447862 638346432 /nfs/dbraw/zinc/34/64/32/638346432.db2.gz GTFYCHYJGUDWPN-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC000907629599 638424615 /nfs/dbraw/zinc/42/46/15/638424615.db2.gz FYUCKLLJHQOHHQ-QWRGUYRKSA-N 0 1 235.331 2.037 20 0 BEADMN CC1CCC(C)(CNC(=O)Cc2cnc[nH]2)CC1 ZINC000907892432 638501287 /nfs/dbraw/zinc/50/12/87/638501287.db2.gz LNRXJCBYKNLKRS-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)(C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000907922535 638512356 /nfs/dbraw/zinc/51/23/56/638512356.db2.gz YRSVTEAIVAWMRR-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC000908564264 639017222 /nfs/dbraw/zinc/01/72/22/639017222.db2.gz IWSMIGAKNRRLLV-LLVKDONJSA-N 0 1 235.331 2.203 20 0 BEADMN CC(C)[C@H]1CN(C(=O)Cc2c[nH]cn2)[C@H]1C(C)C ZINC000909052759 639131360 /nfs/dbraw/zinc/13/13/60/639131360.db2.gz SMKCWSGDAHODBE-OCCSQVGLSA-N 0 1 249.358 2.091 20 0 BEADMN CN(CC(=O)N[C@]1(C)CC=CCC1)C1CCC1 ZINC000909930367 639280276 /nfs/dbraw/zinc/28/02/76/639280276.db2.gz FWISMXXFFHUBSY-CQSZACIVSA-N 0 1 236.359 2.086 20 0 BEADMN O=c1sccn1CN1CCC[C@H]1C1CCC1 ZINC000746617420 639290811 /nfs/dbraw/zinc/29/08/11/639290811.db2.gz CYKIOXZGVWGWAY-NSHDSACASA-N 0 1 238.356 2.132 20 0 BEADMN Cc1cccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)[nH+]1 ZINC000910386160 639433941 /nfs/dbraw/zinc/43/39/41/639433941.db2.gz NZLSRNLSRBXLOG-WHOHXGKFSA-N 0 1 246.310 2.301 20 0 BEADMN Cc1cc[nH+]c(N(CCC(=O)[O-])CC2CC2)c1 ZINC000910416237 639443054 /nfs/dbraw/zinc/44/30/54/639443054.db2.gz HTKKTYDJPRVSSB-UHFFFAOYSA-N 0 1 234.299 2.081 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000910443902 639453025 /nfs/dbraw/zinc/45/30/25/639453025.db2.gz SOIFRCSBDIEHMN-GWCFXTLKSA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000910450671 639454203 /nfs/dbraw/zinc/45/42/03/639454203.db2.gz CFFSBDGSNLIWHU-LOWVWBTDSA-N 0 1 246.310 2.080 20 0 BEADMN CCC[C@@H](CNc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000910466298 639461223 /nfs/dbraw/zinc/46/12/23/639461223.db2.gz SJTMACFTTXOWGV-VIFPVBQESA-N 0 1 247.298 2.476 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000930252573 639660342 /nfs/dbraw/zinc/66/03/42/639660342.db2.gz ZCRGFAYQHCLVMS-WKMLJHOTSA-N 0 1 227.348 2.077 20 0 BEADMN COC/C(C)=C\CN1CCO[C@@H](C(C)(C)C)C1 ZINC000930266601 639668892 /nfs/dbraw/zinc/66/88/92/639668892.db2.gz BSOGMFYKKNJFBQ-MVXISAMASA-N 0 1 241.375 2.326 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)C(C)(C)C ZINC000911591644 639678708 /nfs/dbraw/zinc/67/87/08/639678708.db2.gz TXFOSOAHGGRKCN-CABZTGNLSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)C(C)(C)C)C1 ZINC000911592734 639679834 /nfs/dbraw/zinc/67/98/34/639679834.db2.gz VBAIMHXWBMNKCL-ONGXEEELSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1cn(C)nc1CN1CCC(C)=C(C)C1 ZINC000930299385 639689324 /nfs/dbraw/zinc/68/93/24/639689324.db2.gz ZCXGJSFYONKHMZ-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN COC[C@H](CN1Cc2cccnc2C1)C(C)C ZINC000930308347 639696776 /nfs/dbraw/zinc/69/67/76/639696776.db2.gz XKFWVPIXVVFCNA-ZDUSSCGKSA-N 0 1 234.343 2.316 20 0 BEADMN CC[C@@H]1C[N@@H+](CCc2ccns2)CCCO1 ZINC000930317716 639699853 /nfs/dbraw/zinc/69/98/53/639699853.db2.gz UAXRUPAYAXCJNS-LLVKDONJSA-N 0 1 240.372 2.187 20 0 BEADMN CCc1ncc(CN2CCCO[C@@H](CC)C2)o1 ZINC000930316979 639700710 /nfs/dbraw/zinc/70/07/10/639700710.db2.gz NOMJYYDJPQJGDC-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ncc(C[N@H+]2CCCO[C@@H](CC)C2)o1 ZINC000930316979 639700703 /nfs/dbraw/zinc/70/07/03/639700703.db2.gz NOMJYYDJPQJGDC-NSHDSACASA-N 0 1 238.331 2.238 20 0 BEADMN CC[C@@H]1C[C@H]1CN1C[C@@H](C)[S@](=O)[C@H](CC)C1 ZINC000930455678 639758168 /nfs/dbraw/zinc/75/81/68/639758168.db2.gz RAMROFLGJXDNBW-VBTGVMJWSA-N 0 1 243.416 2.264 20 0 BEADMN CC[C@@H]1CN(CC2CC(C)C2)C[C@@H](C)[S@@]1=O ZINC000930457757 639762795 /nfs/dbraw/zinc/76/27/95/639762795.db2.gz GMOGFSVTEHVZMA-DPSUSNHFSA-N 0 1 243.416 2.264 20 0 BEADMN CN(CCc1ccns1)Cc1ccccn1 ZINC000930614479 639823712 /nfs/dbraw/zinc/82/37/12/639823712.db2.gz AHXABCAUVAMJKL-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@H](C)c2ncccn2)C1(C)C ZINC000930629662 639831129 /nfs/dbraw/zinc/83/11/29/639831129.db2.gz WKFLCDPPZMTQLC-UHIISALHSA-N 0 1 249.358 2.331 20 0 BEADMN CCCc1ccccc1C(=O)N1CCN[C@@H](C)C1 ZINC000911810070 639831477 /nfs/dbraw/zinc/83/14/77/639831477.db2.gz LKGQXKHMTIJQHL-LBPRGKRZSA-N 0 1 246.354 2.073 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)[C@@H](C)C2)o1 ZINC000930636966 639835843 /nfs/dbraw/zinc/83/58/43/639835843.db2.gz JVOPHAXVVBDOML-CMPLNLGQSA-N 0 1 238.331 2.094 20 0 BEADMN CCc1ccncc1NC(=O)CN(C)C1CCC1 ZINC000911901381 639864129 /nfs/dbraw/zinc/86/41/29/639864129.db2.gz FYERFDWSGJXEAD-UHFFFAOYSA-N 0 1 247.342 2.067 20 0 BEADMN Cc1cn(C)nc1CN(C)C1CC(C)(C)C1 ZINC000930701332 639867841 /nfs/dbraw/zinc/86/78/41/639867841.db2.gz OOVPZJCHSYGAIF-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1c(F)cncc1F ZINC000930705414 639870748 /nfs/dbraw/zinc/87/07/48/639870748.db2.gz UJWDRCYVINKGNR-NEPJUHHUSA-N 0 1 242.269 2.017 20 0 BEADMN CCN(Cc1occc1C)C(COC)COC ZINC000930726704 639880887 /nfs/dbraw/zinc/88/08/87/639880887.db2.gz OKWPLZVBSWDREL-UHFFFAOYSA-N 0 1 241.331 2.071 20 0 BEADMN Cc1cc(CN2CC[C@@H](OC(C)C)C2)c(C)nn1 ZINC000930811074 639912382 /nfs/dbraw/zinc/91/23/82/639912382.db2.gz LVXRHNGLYWBYKU-CQSZACIVSA-N 0 1 249.358 2.093 20 0 BEADMN CCCN(C)CC(=O)N(C)c1ccsc1 ZINC000912009004 639916429 /nfs/dbraw/zinc/91/64/29/639916429.db2.gz DZQXMXUCZXCDHL-UHFFFAOYSA-N 0 1 226.345 2.053 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)OCC12CCC2 ZINC000930856746 639950724 /nfs/dbraw/zinc/95/07/24/639950724.db2.gz QVYJVPIKNDJODX-YFTXEMMHSA-N 0 1 239.359 2.223 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)[C@@H](CC)CO1 ZINC000930853951 639950937 /nfs/dbraw/zinc/95/09/37/639950937.db2.gz XAXHQPNXFUQUFC-LPEQCFEDSA-N 0 1 241.375 2.469 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@]3(CC3(F)F)C2)[nH]1 ZINC000930865332 639957446 /nfs/dbraw/zinc/95/74/46/639957446.db2.gz DDVAVRBBOTZTBL-LLVKDONJSA-N 0 1 241.285 2.258 20 0 BEADMN CN(Cc1coc(C(C)(C)C)n1)Cc1cnc[nH]1 ZINC000930916363 639987742 /nfs/dbraw/zinc/98/77/42/639987742.db2.gz NPSBPPLNZPWAOC-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN CN(Cc1cn(C)nn1)CC1CCC2(CC2)CC1 ZINC000931016720 640021317 /nfs/dbraw/zinc/02/13/17/640021317.db2.gz YXEUYLXJQVIPGT-UHFFFAOYSA-N 0 1 248.374 2.217 20 0 BEADMN CO[C@@H]1CN(CC2CCC3(CC3)CC2)CCO1 ZINC000931034950 640028450 /nfs/dbraw/zinc/02/84/50/640028450.db2.gz CXJDJIXDBGNNIK-ZDUSSCGKSA-N 0 1 239.359 2.262 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CC1CC(C)C1 ZINC000931067845 640055430 /nfs/dbraw/zinc/05/54/30/640055430.db2.gz XTWODEZXNUSXLM-UHFFFAOYSA-N 0 1 237.343 2.060 20 0 BEADMN C[C@H](C1CC1)N1CCO[C@](C)(C(F)F)C1 ZINC000931079608 640061432 /nfs/dbraw/zinc/06/14/32/640061432.db2.gz MDLJTCDXKRKISS-KCJUWKMLSA-N 0 1 219.275 2.141 20 0 BEADMN Cc1nc(C)c(CN(C2CC2)C2CC2)[nH]1 ZINC000931179575 640092088 /nfs/dbraw/zinc/09/20/88/640092088.db2.gz WADYVIUOIOUTTG-UHFFFAOYSA-N 0 1 205.305 2.153 20 0 BEADMN CCc1ncc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000931256847 640113697 /nfs/dbraw/zinc/11/36/97/640113697.db2.gz FJQVAUIZZGBLNI-DNJQJEMRSA-N 0 1 238.331 2.139 20 0 BEADMN Cc1nnc(CCN2CCC(F)(F)C[C@@H]2C)o1 ZINC000931254031 640115390 /nfs/dbraw/zinc/11/53/90/640115390.db2.gz FZLBZACVVRBODO-QMMMGPOBSA-N 0 1 245.273 2.040 20 0 BEADMN COC[C@H]1CCCN1Cc1cnc(C2CC2)o1 ZINC000931258881 640117809 /nfs/dbraw/zinc/11/78/09/640117809.db2.gz ZNAOFIZDRPPVNX-LLVKDONJSA-N 0 1 236.315 2.163 20 0 BEADMN C[C@@H](C1CC1)N(C(=O)c1coc(CN)c1)C1CC1 ZINC000187405796 640207335 /nfs/dbraw/zinc/20/73/35/640207335.db2.gz PZIARAUTOQVMEH-VIFPVBQESA-N 0 1 248.326 2.141 20 0 BEADMN CCCCOCCN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931455165 640212209 /nfs/dbraw/zinc/21/22/09/640212209.db2.gz HYFRUHVQWLAYOC-NSHDSACASA-N 0 1 237.347 2.146 20 0 BEADMN Cc1ccncc1CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459761 640213519 /nfs/dbraw/zinc/21/35/19/640213519.db2.gz AHAOXUMROQPIMB-LLVKDONJSA-N 0 1 242.326 2.232 20 0 BEADMN C[C@H]1CN(CCc2cncs2)Cc2c[nH]nc21 ZINC000931461952 640220053 /nfs/dbraw/zinc/22/00/53/640220053.db2.gz HKLQPPMDSMMQQI-VIFPVBQESA-N 0 1 248.355 2.028 20 0 BEADMN Cc1cc(CN2Cc3c[nH]nc3[C@@H](C)C2)ccn1 ZINC000931465165 640223370 /nfs/dbraw/zinc/22/33/70/640223370.db2.gz FRYRNULOTTWHCW-JTQLQIEISA-N 0 1 242.326 2.232 20 0 BEADMN CC(C)OC1CC(N2Cc3c[nH]nc3[C@@H](C)C2)C1 ZINC000931462048 640224265 /nfs/dbraw/zinc/22/42/65/640224265.db2.gz JPNYFPJWJAOPKH-PKSQDBQZSA-N 0 1 249.358 2.285 20 0 BEADMN O=C(C1CCC=CCC1)N1CC[C@H](N2CCC2)C1 ZINC000912901040 640230583 /nfs/dbraw/zinc/23/05/83/640230583.db2.gz XIHKQRITZBGIIN-AWEZNQCLSA-N 0 1 248.370 2.039 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912900384 640231421 /nfs/dbraw/zinc/23/14/21/640231421.db2.gz JMLAOMHDZIMEPV-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912911711 640237242 /nfs/dbraw/zinc/23/72/42/640237242.db2.gz NKKRVNLPGZUPJK-YLGBQOPLSA-N 0 1 236.359 2.039 20 0 BEADMN CC[C@H](CO)N[C@@H](CF)c1ccc(F)cc1 ZINC000931559223 640272363 /nfs/dbraw/zinc/27/23/63/640272363.db2.gz WSXWZMIFNHAWHX-NEPJUHHUSA-N 0 1 229.270 2.197 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)OC)N1CCS[C@H](C)C1 ZINC000931561970 640275113 /nfs/dbraw/zinc/27/51/13/640275113.db2.gz GXWZZDSHIBGJRL-GMTAPVOTSA-N 0 1 245.388 2.011 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@@H](C(C)(C)O)C1 ZINC000931613284 640288778 /nfs/dbraw/zinc/28/87/78/640288778.db2.gz XIIODEPJHKEDJC-NWDGAFQWSA-N 0 1 249.358 2.021 20 0 BEADMN COC/C(C)=C/CN[C@H](C)c1nccnc1C ZINC000931618778 640290153 /nfs/dbraw/zinc/29/01/53/640290153.db2.gz RENZUJWFASPNOT-IGLBNKAOSA-N 0 1 235.331 2.028 20 0 BEADMN c1nc2c([nH]1)C1(CCC1)N(CC1CCC1)CC2 ZINC000931676184 640310728 /nfs/dbraw/zinc/31/07/28/640310728.db2.gz QNNJKXXBJSSHRB-UHFFFAOYSA-N 0 1 231.343 2.447 20 0 BEADMN CCc1ncc(CN2CCC[C@H](CF)C2)o1 ZINC000931682662 640311891 /nfs/dbraw/zinc/31/18/91/640311891.db2.gz OELZAKHADBZVKZ-SNVBAGLBSA-N 0 1 226.295 2.419 20 0 BEADMN FCCCCN1CCc2nc[nH]c2C12CCC2 ZINC000931680235 640312549 /nfs/dbraw/zinc/31/25/49/640312549.db2.gz RTESFSHYDQLPLO-UHFFFAOYSA-N 0 1 237.322 2.397 20 0 BEADMN Cc1cc(CN2CCC(F)CC2)c(C)nn1 ZINC000931687568 640315109 /nfs/dbraw/zinc/31/51/09/640315109.db2.gz YBUXPSFFSBWWBZ-UHFFFAOYSA-N 0 1 223.295 2.027 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1C[C@@H]2C[C@@H]2C1 ZINC000931709217 640330008 /nfs/dbraw/zinc/33/00/08/640330008.db2.gz GNGKCRFJRVOCNU-IEBDPFPHSA-N 0 1 206.264 2.233 20 0 BEADMN c1cc2c(o1)CCC[C@@H]2NCc1cnc[nH]1 ZINC000054763875 640403677 /nfs/dbraw/zinc/40/36/77/640403677.db2.gz RNLMBMJRRGWMMQ-NSHDSACASA-N 0 1 217.272 2.170 20 0 BEADMN COCc1ccccc1NCc1cnc[nH]1 ZINC000054764249 640404213 /nfs/dbraw/zinc/40/42/13/640404213.db2.gz IXZKRHKXDKIBTG-UHFFFAOYSA-N 0 1 217.272 2.168 20 0 BEADMN COCc1cccc(NCc2cnc[nH]2)c1 ZINC000054764148 640405960 /nfs/dbraw/zinc/40/59/60/640405960.db2.gz DBINGTJMNWQSEN-UHFFFAOYSA-N 0 1 217.272 2.168 20 0 BEADMN CO[C@H](C)CN1CCS[C@H](C(F)(F)F)C1 ZINC000932075560 640421545 /nfs/dbraw/zinc/42/15/45/640421545.db2.gz PROWZHQXJFYXQV-SFYZADRCSA-N 0 1 243.294 2.001 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCc1cccs1 ZINC000156448976 640452510 /nfs/dbraw/zinc/45/25/10/640452510.db2.gz DXHGARZJVRJDCH-MNOVXSKESA-N 0 1 225.357 2.400 20 0 BEADMN C[C@@H]1CCN(CCSC(F)(F)F)CCO1 ZINC000932337232 640479921 /nfs/dbraw/zinc/47/99/21/640479921.db2.gz QGRGFCWKQYYVPN-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN Cc1[nH+]c(N2C[C@H](C)C[C@@H]2C)ccc1C(=O)[O-] ZINC000164426569 640481043 /nfs/dbraw/zinc/48/10/43/640481043.db2.gz QAKGYSIIAIFUNZ-BDAKNGLRSA-N 0 1 234.299 2.323 20 0 BEADMN CCc1ccc(CN2CCO[C@@H](C)CC2)nc1 ZINC000932342604 640484129 /nfs/dbraw/zinc/48/41/29/640484129.db2.gz NPILVZFKOOMFRS-LBPRGKRZSA-N 0 1 234.343 2.255 20 0 BEADMN CCOc1ccccc1-c1noc([C@H](C)NC)n1 ZINC000156810517 640508773 /nfs/dbraw/zinc/50/87/73/640508773.db2.gz UADAPHITIYPIAI-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN CC(=O)NC1CN(CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001030040095 640533014 /nfs/dbraw/zinc/53/30/14/640533014.db2.gz NCHVPBQMUGAWHP-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)C2CCCC2)C1 ZINC001030044168 640537495 /nfs/dbraw/zinc/53/74/95/640537495.db2.gz OBHIZYQOMZTYGP-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)C2CCCC2)C1 ZINC001030044169 640538778 /nfs/dbraw/zinc/53/87/78/640538778.db2.gz OBHIZYQOMZTYGP-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@H](CC(C)C)CN1CCn2cccc2C1 ZINC000932527182 640567422 /nfs/dbraw/zinc/56/74/22/640567422.db2.gz YZRBKQJQHOKYNL-CQSZACIVSA-N 0 1 236.359 2.365 20 0 BEADMN CCSCCN1CCn2cccc2C1 ZINC000932528657 640570481 /nfs/dbraw/zinc/57/04/81/640570481.db2.gz LGFSFNAQIIZTTK-UHFFFAOYSA-N 0 1 210.346 2.057 20 0 BEADMN CC(C)CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000932585290 640578213 /nfs/dbraw/zinc/57/82/13/640578213.db2.gz GAXOMIRIYSVLJL-UHFFFAOYSA-N 0 1 247.264 2.374 20 0 BEADMN COCC[C@@H](C)N1CCn2nc(C3CC3)cc2C1 ZINC000932605116 640581788 /nfs/dbraw/zinc/58/17/88/640581788.db2.gz BWSRFTMMCQEOJF-LLVKDONJSA-N 0 1 249.358 2.001 20 0 BEADMN CCN(C#N)CCN1CCC(F)(C2CC2)CC1 ZINC000932628720 640591270 /nfs/dbraw/zinc/59/12/70/640591270.db2.gz LHGCGMWKERZDHY-UHFFFAOYSA-N 0 1 239.338 2.003 20 0 BEADMN OC1(C2CCC2)CCN(Cc2ccccn2)CC1 ZINC000932821556 640613851 /nfs/dbraw/zinc/61/38/51/640613851.db2.gz UPMCMRNNLPXLEQ-UHFFFAOYSA-N 0 1 246.354 2.209 20 0 BEADMN Cc1nc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)no1 ZINC000932895814 640642012 /nfs/dbraw/zinc/64/20/12/640642012.db2.gz DQMAJCXMWAFNBQ-CHWSQXEVSA-N 0 1 247.342 2.389 20 0 BEADMN Cc1nc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)no1 ZINC000932895814 640642015 /nfs/dbraw/zinc/64/20/15/640642015.db2.gz DQMAJCXMWAFNBQ-CHWSQXEVSA-N 0 1 247.342 2.389 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc(CC)cn2)C1 ZINC000932975040 640659247 /nfs/dbraw/zinc/65/92/47/640659247.db2.gz VLMUBBIRRJHKJI-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CC[C@H](C)CN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933159549 640672460 /nfs/dbraw/zinc/67/24/60/640672460.db2.gz YFXDKYJCHIANPK-LOWVWBTDSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCC=C(C)C ZINC000933164588 640672477 /nfs/dbraw/zinc/67/24/77/640672477.db2.gz AFNBOXSDFHHPFX-OCCSQVGLSA-N 0 1 237.343 2.370 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225332095 640683591 /nfs/dbraw/zinc/68/35/91/640683591.db2.gz WFWBVGYLIBIFKG-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN CCCCOC(=O)CN(C)CC1CCCC1 ZINC000058411052 640705923 /nfs/dbraw/zinc/70/59/23/640705923.db2.gz QSYMZWKEDQOTLU-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN Fc1cccc(CN[C@]23C[C@H]2COC32CCC2)n1 ZINC000933387600 640711436 /nfs/dbraw/zinc/71/14/36/640711436.db2.gz SPBXXWXHDNNPCJ-IINYFYTJSA-N 0 1 248.301 2.022 20 0 BEADMN CC(C(=O)NC1CN(CCC2CC2)C1)=C1CCC1 ZINC001030289495 640731968 /nfs/dbraw/zinc/73/19/68/640731968.db2.gz VQQSPMZUODSLNW-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN CC(C)=CCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933670020 640742323 /nfs/dbraw/zinc/74/23/23/640742323.db2.gz SRHXRXWVWILUQI-ZIAGYGMSSA-N 0 1 239.359 2.080 20 0 BEADMN c1cc(CN2CCC[C@@H]2C2OCCO2)cs1 ZINC000933895735 640782216 /nfs/dbraw/zinc/78/22/16/640782216.db2.gz ISSUPHCYMXVXPP-LLVKDONJSA-N 0 1 239.340 2.085 20 0 BEADMN c1cc(CN(C[C@H]2CCCO2)C2CC2)co1 ZINC000934006374 640806609 /nfs/dbraw/zinc/80/66/09/640806609.db2.gz IFOKPTUHBPUKQT-CYBMUJFWSA-N 0 1 221.300 2.423 20 0 BEADMN CC(C)Oc1ccccc1CN1CC[C@@H]1CO ZINC000934022892 640807754 /nfs/dbraw/zinc/80/77/54/640807754.db2.gz AUBSGFBOWRSMLB-CYBMUJFWSA-N 0 1 235.327 2.040 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cnc(C)s1 ZINC000934103764 640812324 /nfs/dbraw/zinc/81/23/24/640812324.db2.gz FSRCRMDRRGPXPL-GHMZBOCLSA-N 0 1 226.345 2.061 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@@H](C)C1 ZINC000227542660 640839085 /nfs/dbraw/zinc/83/90/85/640839085.db2.gz QIELATDFRQNQST-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)c1noc(Cc2[nH]nc3c2CCCC3)n1 ZINC000349887315 640842411 /nfs/dbraw/zinc/84/24/11/640842411.db2.gz HEQHOMHCGXRBJP-UHFFFAOYSA-N 0 1 246.314 2.386 20 0 BEADMN CC(C)n1ncnc1CNCCC1CCC1 ZINC000229096423 640922895 /nfs/dbraw/zinc/92/28/95/640922895.db2.gz CJCGVBHBYNCNFO-UHFFFAOYSA-N 0 1 222.336 2.139 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])o1 ZINC000229294550 640943875 /nfs/dbraw/zinc/94/38/75/640943875.db2.gz YQTJZILPVGKIEH-SKDRFNHKSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C(=O)[O-])C1 ZINC000229302071 640944613 /nfs/dbraw/zinc/94/46/13/640944613.db2.gz YQBFQECGURHJNB-ZWNOBZJWSA-N 0 1 249.310 2.077 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)CN1CCCC1 ZINC000061757189 640994658 /nfs/dbraw/zinc/99/46/58/640994658.db2.gz WNQVVBBZUHPALW-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)CC1(Br)CC1 ZINC000934107901 641070505 /nfs/dbraw/zinc/07/05/05/641070505.db2.gz NONFTASNFHWGTC-DTWKUNHWSA-N 0 1 248.164 2.023 20 0 BEADMN CCCC[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000062877589 641106482 /nfs/dbraw/zinc/10/64/82/641106482.db2.gz WANOKENQZWOEBB-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)COC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000934336566 641128708 /nfs/dbraw/zinc/12/87/08/641128708.db2.gz CTRBBPWJAZASJI-RYUDHWBXSA-N 0 1 225.332 2.060 20 0 BEADMN C(c1noc2c1COCC2)N1CC[C@@H]2CCC[C@@H]21 ZINC000934338476 641129916 /nfs/dbraw/zinc/12/99/16/641129916.db2.gz ZZFOTXXDFJCYAC-GWCFXTLKSA-N 0 1 248.326 2.122 20 0 BEADMN CN(Cn1ccc(C(F)(F)F)n1)C1CCC1 ZINC000172964443 641138356 /nfs/dbraw/zinc/13/83/56/641138356.db2.gz HKVLYDBMRHXGIV-UHFFFAOYSA-N 0 1 233.237 2.344 20 0 BEADMN Cc1ncccc1CN1CCOC[C@@]1(C)C1CC1 ZINC000934476113 641168107 /nfs/dbraw/zinc/16/81/07/641168107.db2.gz UBVOCGSNFIAFDR-HNNXBMFYSA-N 0 1 246.354 2.391 20 0 BEADMN CCN(CC(C)C)Cn1cc[nH]c1=S ZINC000173308266 641169550 /nfs/dbraw/zinc/16/95/50/641169550.db2.gz XQBFOUJGSUJVGH-UHFFFAOYSA-N 0 1 213.350 2.481 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(C(C)C)C2CC2)C1 ZINC000173303788 641169688 /nfs/dbraw/zinc/16/96/88/641169688.db2.gz PWZODFIIUNAUFL-GFCCVEGCSA-N 0 1 238.375 2.465 20 0 BEADMN CCCCN(C)CN1C[C@@H](CCC)CC1=O ZINC000173302453 641169952 /nfs/dbraw/zinc/16/99/52/641169952.db2.gz KWNMAESCNDYEPK-LBPRGKRZSA-N 0 1 226.364 2.324 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc(C)cn2)C1 ZINC000932972199 641170524 /nfs/dbraw/zinc/17/05/24/641170524.db2.gz CYDNKZNYHLJZMY-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC1(C)CCN(Cn2c3ccccc3oc2=O)C1 ZINC000173437084 641176764 /nfs/dbraw/zinc/17/67/64/641176764.db2.gz KKJDFAKXEPDLAH-UHFFFAOYSA-N 0 1 246.310 2.284 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000173437523 641177202 /nfs/dbraw/zinc/17/72/02/641177202.db2.gz LGVNDKUSYJDWFO-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CC1(C)CCN(CN2CCSC2=S)C1 ZINC000173436886 641177891 /nfs/dbraw/zinc/17/78/91/641177891.db2.gz CSKGCCOOOSOGCH-UHFFFAOYSA-N 0 1 230.402 2.010 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000934571140 641200574 /nfs/dbraw/zinc/20/05/74/641200574.db2.gz PDPKOXJCKAAPAZ-TYUFSLCMSA-N 0 1 229.339 2.217 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN2CCCCC2)C1 ZINC000174069323 641234572 /nfs/dbraw/zinc/23/45/72/641234572.db2.gz HPXJDLOUYFEFBW-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN CSCC(C)(C)NCc1nnc(C(C)C)[nH]1 ZINC000934671590 641241692 /nfs/dbraw/zinc/24/16/92/641241692.db2.gz ZXTNNOSUZBQYLI-UHFFFAOYSA-N 0 1 242.392 2.159 20 0 BEADMN O=C(NC1CC=CC1)c1cc(F)cc(F)c1O ZINC000934685596 641246137 /nfs/dbraw/zinc/24/61/37/641246137.db2.gz FSKFYSBDTIRCOF-UHFFFAOYSA-N 0 1 239.221 2.119 20 0 BEADMN CCn1ncc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC000934758603 641259688 /nfs/dbraw/zinc/25/96/88/641259688.db2.gz LHCALMBOUDTIBZ-OLZOCXBDSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)CCC2(C)CC2)n[nH]1 ZINC000934924547 641302894 /nfs/dbraw/zinc/30/28/94/641302894.db2.gz IGPVBFYODXKPKV-JTQLQIEISA-N 0 1 249.358 2.346 20 0 BEADMN CC1(NC(=O)c2cccc(F)c2O)CCC1 ZINC000935081413 641333195 /nfs/dbraw/zinc/33/31/95/641333195.db2.gz YSSPJKHYVVFJJC-UHFFFAOYSA-N 0 1 223.247 2.204 20 0 BEADMN Cc1nocc1CN1CCC(c2cn[nH]c2)CC1 ZINC000350662313 641381469 /nfs/dbraw/zinc/38/14/69/641381469.db2.gz UEVRQMCKUADGMJ-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NC12CCN(CC1)C2 ZINC000913631951 641429447 /nfs/dbraw/zinc/42/94/47/641429447.db2.gz KINBKSVDNNFFLS-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@H](C)CC(=O)NC12CCN(CC1)C2 ZINC000913628674 641431749 /nfs/dbraw/zinc/43/17/49/641431749.db2.gz NLHPYHUELGKTOZ-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCC[C@H](C)C(=O)Nc1c[nH]nn1 ZINC000935596081 641438318 /nfs/dbraw/zinc/43/83/18/641438318.db2.gz COVWTCVQPVNQPN-VIFPVBQESA-N 0 1 224.308 2.350 20 0 BEADMN C[C@@H](CC(=O)Nc1c[nH]nn1)CC(C)(C)C ZINC000935596941 641440518 /nfs/dbraw/zinc/44/05/18/641440518.db2.gz XCMIQFXUTCFHAZ-QMMMGPOBSA-N 0 1 224.308 2.206 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cccc(F)c1O ZINC000935737280 641473060 /nfs/dbraw/zinc/47/30/60/641473060.db2.gz JJKSSRRWGSKTRU-OCAPTIKFSA-N 0 1 223.247 2.154 20 0 BEADMN C[C@]1(C(=O)NOC/C=C/Cl)C=CCC1 ZINC000936057926 641522641 /nfs/dbraw/zinc/52/26/41/641522641.db2.gz FEFJCEGBSVJUTB-QBBOHKLWSA-N 0 1 215.680 2.143 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCN1C ZINC000761077548 641573225 /nfs/dbraw/zinc/57/32/25/641573225.db2.gz MNIFVTXRQFLATN-ABAIWWIYSA-N 0 1 248.345 2.449 20 0 BEADMN C[C@@H]1CCN1C(=O)c1sccc1CN(C)C ZINC000914156701 641590779 /nfs/dbraw/zinc/59/07/79/641590779.db2.gz FLWWMRBAKDDDOP-SECBINFHSA-N 0 1 238.356 2.044 20 0 BEADMN CCCOC(=O)[C@@H](C)[N@@H+](C)C(C1CC1)C1CC1 ZINC000159867873 641705827 /nfs/dbraw/zinc/70/58/27/641705827.db2.gz ARADSPPTWSSCBM-SNVBAGLBSA-N 0 1 239.359 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)C(C)C ZINC000159981692 641708340 /nfs/dbraw/zinc/70/83/40/641708340.db2.gz JFIRDYREQYHVFQ-SNVBAGLBSA-N 0 1 201.310 2.058 20 0 BEADMN C/C=C\C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000914530048 641731616 /nfs/dbraw/zinc/73/16/16/641731616.db2.gz HIQZSONFWWZTRD-DOGVGXBMSA-N 0 1 238.356 2.043 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCC[C@H](C)C1 ZINC000187909005 641732853 /nfs/dbraw/zinc/73/28/53/641732853.db2.gz MKAKKJXEICAODL-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCC[C@H](C)C1 ZINC000187908974 641734215 /nfs/dbraw/zinc/73/42/15/641734215.db2.gz MKAKKJXEICAODL-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCC(CC)OC(=O)CCCCc1cn[nH]n1 ZINC000188286742 641752554 /nfs/dbraw/zinc/75/25/54/641752554.db2.gz LIKMOOWESDJPPB-UHFFFAOYSA-N 0 1 239.319 2.249 20 0 BEADMN N#Cc1cccc(CNCc2ccc(F)nc2)c1 ZINC000188986358 641781326 /nfs/dbraw/zinc/78/13/26/641781326.db2.gz AHTDESYJFDIFQS-UHFFFAOYSA-N 0 1 241.269 2.382 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)CN1CCCC1 ZINC000915216380 641809829 /nfs/dbraw/zinc/80/98/29/641809829.db2.gz HOHMPWUEVIGAJS-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nnc(SC[C@@H]2CCCN2C)s1 ZINC000915921310 641886641 /nfs/dbraw/zinc/88/66/41/641886641.db2.gz IVIFFCNNGOUJQY-QMMMGPOBSA-N 0 1 229.374 2.033 20 0 BEADMN COCSc1nc(-c2ccccc2F)n[nH]1 ZINC000078249679 641908382 /nfs/dbraw/zinc/90/83/82/641908382.db2.gz HIJWUYXYBFNZQT-UHFFFAOYSA-N 0 1 239.275 2.307 20 0 BEADMN C[C@@H]1CCC[N@@H+](CN2CCSC2=S)C1 ZINC000078784352 641953673 /nfs/dbraw/zinc/95/36/73/641953673.db2.gz YNXYGYWQHGYCPQ-SECBINFHSA-N 0 1 230.402 2.010 20 0 BEADMN C[C@@H]1CCCN(CN2CCSC2=S)C1 ZINC000078784352 641953677 /nfs/dbraw/zinc/95/36/77/641953677.db2.gz YNXYGYWQHGYCPQ-SECBINFHSA-N 0 1 230.402 2.010 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCCc1ccccc1 ZINC000917046282 641995198 /nfs/dbraw/zinc/99/51/98/641995198.db2.gz VRSFANLOSSATKZ-GFCCVEGCSA-N 0 1 248.351 2.227 20 0 BEADMN CCOC(=O)[C@@H](CC)SCc1[nH]ncc1C ZINC000917148682 642021293 /nfs/dbraw/zinc/02/12/93/642021293.db2.gz BNWKYQZZDUAGDU-SNVBAGLBSA-N 0 1 242.344 2.293 20 0 BEADMN c1n[nH]nc1SC[C@@H]1CCC2(CCC2)CO1 ZINC000917174570 642026701 /nfs/dbraw/zinc/02/67/01/642026701.db2.gz YQHGMHCPOZSXGQ-VIFPVBQESA-N 0 1 239.344 2.246 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H]1CC=CCC1 ZINC000925438070 642054394 /nfs/dbraw/zinc/05/43/94/642054394.db2.gz UOQBTWNRVGCZHM-SCZZXKLOSA-N 0 1 207.277 2.137 20 0 BEADMN CCC1CCN(CN2CCSC2=S)CC1 ZINC000917483166 642067604 /nfs/dbraw/zinc/06/76/04/642067604.db2.gz SDPWKUWXVPVDBE-UHFFFAOYSA-N 0 1 244.429 2.400 20 0 BEADMN Cc1coc(SCc2[nH]ncc2C)n1 ZINC000917544003 642076912 /nfs/dbraw/zinc/07/69/12/642076912.db2.gz ALOFDMVCNHQDMN-UHFFFAOYSA-N 0 1 209.274 2.307 20 0 BEADMN c1c[nH]c(CN2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000933080301 642318864 /nfs/dbraw/zinc/31/88/64/642318864.db2.gz WHDZUBVLZSCXGQ-CYBMUJFWSA-N 0 1 249.358 2.048 20 0 BEADMN CN(C)CC(=O)NCC1CCCCCCC1 ZINC000170762197 642336757 /nfs/dbraw/zinc/33/67/57/642336757.db2.gz GYOSSBGMOSMZFO-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cnn(C)n1 ZINC000925466274 642345116 /nfs/dbraw/zinc/34/51/16/642345116.db2.gz MDQILKXCXHLKEN-DRZSPHRISA-N 0 1 248.374 2.435 20 0 BEADMN CC[C@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000033754751 642346480 /nfs/dbraw/zinc/34/64/80/642346480.db2.gz SCTUPWANDJUCMC-AWEZNQCLSA-N 0 1 246.354 2.350 20 0 BEADMN CN(CC1CC1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000919941844 642409278 /nfs/dbraw/zinc/40/92/78/642409278.db2.gz WJPCEQZJBFSSNY-AWEZNQCLSA-N 0 1 244.338 2.259 20 0 BEADMN CCCCCCNC(=O)CN1CCCCC1 ZINC000033878511 642421163 /nfs/dbraw/zinc/42/11/63/642421163.db2.gz WWJQXTZJMRRZAR-UHFFFAOYSA-N 0 1 226.364 2.169 20 0 BEADMN CCn1cnc2c1CC[N@@H+](CC=C(C)C)C2 ZINC000933255658 642425884 /nfs/dbraw/zinc/42/58/84/642425884.db2.gz OHYCZMCDDMPDMN-UHFFFAOYSA-N 0 1 219.332 2.227 20 0 BEADMN CCn1cnc2c1CCN(CC=C(C)C)C2 ZINC000933255658 642425887 /nfs/dbraw/zinc/42/58/87/642425887.db2.gz OHYCZMCDDMPDMN-UHFFFAOYSA-N 0 1 219.332 2.227 20 0 BEADMN CCc1ccc(CNC[C@@H](O)c2ccco2)o1 ZINC000305063626 642635156 /nfs/dbraw/zinc/63/51/56/642635156.db2.gz HGRHJQKSWSWINC-GFCCVEGCSA-N 0 1 235.283 2.258 20 0 BEADMN CCCC[N@@H+](CC)Cc1cccc(C(=O)[O-])n1 ZINC000232964656 642640518 /nfs/dbraw/zinc/64/05/18/642640518.db2.gz VQYTXRFKRXGMFD-UHFFFAOYSA-N 0 1 236.315 2.402 20 0 BEADMN CCC[N@@H+](Cc1cccc(C(=O)[O-])n1)C1CC1 ZINC000233089265 642651390 /nfs/dbraw/zinc/65/13/90/642651390.db2.gz XZLLVGGPMCOZEV-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN c1c(CN2CCC23CCCC3)nc2ncccn12 ZINC000649655458 642682627 /nfs/dbraw/zinc/68/26/27/642682627.db2.gz BZDZXAOVSVGBGW-UHFFFAOYSA-N 0 1 242.326 2.248 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)OCC12CCC2 ZINC000649822058 642701751 /nfs/dbraw/zinc/70/17/51/642701751.db2.gz XSNHEHURNXUZHX-GFCCVEGCSA-N 0 1 239.359 2.389 20 0 BEADMN CC[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000068721837 642798431 /nfs/dbraw/zinc/79/84/31/642798431.db2.gz IUPPUSGFRHSFCE-RKDXNWHRSA-N 0 1 238.312 2.053 20 0 BEADMN CC(=O)NC[C@@H]1CCCCCN1C/C=C/Cl ZINC000968723300 642818147 /nfs/dbraw/zinc/81/81/47/642818147.db2.gz WQTXFYXHQUVNGB-PZBABLGHSA-N 0 1 244.766 2.120 20 0 BEADMN CC(C)=CCN1CC[C@H](NC(=O)c2ccco2)C1 ZINC001009926587 642847299 /nfs/dbraw/zinc/84/72/99/642847299.db2.gz MZWLBUXRXBYUBE-LBPRGKRZSA-N 0 1 248.326 2.050 20 0 BEADMN CC(C)COC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000181472513 642874665 /nfs/dbraw/zinc/87/46/65/642874665.db2.gz HTWCDEZYJGSGHA-BETUJISGSA-N 0 1 239.359 2.308 20 0 BEADMN Cc1nonc1CN[C@H]1CCC[C@@H](C)C1 ZINC000069794769 642907159 /nfs/dbraw/zinc/90/71/59/642907159.db2.gz IVYHLTYTIOLEIG-SCZZXKLOSA-N 0 1 209.293 2.046 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017345219 642974322 /nfs/dbraw/zinc/97/43/22/642974322.db2.gz SLRQVRDTEGYULC-MCIONIFRSA-N 0 1 248.370 2.038 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccccc2)no1 ZINC000070130888 642975338 /nfs/dbraw/zinc/97/53/38/642975338.db2.gz IJIZJLWOJDXTDZ-SECBINFHSA-N 0 1 217.272 2.407 20 0 BEADMN C[C@H](NC(=O)[C@H](N)c1ccccc1)C1CCCC1 ZINC000070307601 643016821 /nfs/dbraw/zinc/01/68/21/643016821.db2.gz GWJIKLXLMSGLGI-SMDDNHRTSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1ccco1)c1nccn1C ZINC000070444216 643026703 /nfs/dbraw/zinc/02/67/03/643026703.db2.gz ZNARNNVHGGFMKK-WDEREUQCSA-N 0 1 233.315 2.295 20 0 BEADMN C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000070565418 643037028 /nfs/dbraw/zinc/03/70/28/643037028.db2.gz GARLFEGHAIYADT-OUAUKWLOSA-N 0 1 211.305 2.114 20 0 BEADMN COC(OC)[C@H](C)NCc1ccc(Cl)s1 ZINC000070653130 643053535 /nfs/dbraw/zinc/05/35/35/643053535.db2.gz GMTADSDXEAIEHN-ZETCQYMHSA-N 0 1 249.763 2.499 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000042437557 643131174 /nfs/dbraw/zinc/13/11/74/643131174.db2.gz VCMUEVXUTZMTFS-VIFPVBQESA-N 0 1 241.718 2.493 20 0 BEADMN CO[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1O ZINC000184137857 643196169 /nfs/dbraw/zinc/19/61/69/643196169.db2.gz JVZLXQSJTNKVEP-VIFPVBQESA-N 0 1 248.282 2.017 20 0 BEADMN C/C=C/C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000082275461 643291489 /nfs/dbraw/zinc/29/14/89/643291489.db2.gz QTWVTSAVRFHTDO-ONEGZZNKSA-N 0 1 215.256 2.386 20 0 BEADMN CCC/C=C/C(=O)N1CCN(C2CCC2)CC1 ZINC000733274755 643314541 /nfs/dbraw/zinc/31/45/41/643314541.db2.gz RRXOIAMXZKEWFM-XBXARRHUSA-N 0 1 236.359 2.039 20 0 BEADMN C/C(=C\C(=O)N1CCN(C2CCC2)CC1)C1CC1 ZINC000733274721 643315218 /nfs/dbraw/zinc/31/52/18/643315218.db2.gz QDZDEXFYTPJTRA-VAWYXSNFSA-N 0 1 248.370 2.039 20 0 BEADMN OC[C@@H]1c2ccccc2CCN1Cc1ccoc1 ZINC000093455610 643336406 /nfs/dbraw/zinc/33/64/06/643336406.db2.gz VSFGWMIRGQBZJR-OAHLLOKOSA-N 0 1 243.306 2.371 20 0 BEADMN CC[C@@H](C)[N@@H+](CCc1cccs1)CC(=O)[O-] ZINC000082602638 643353869 /nfs/dbraw/zinc/35/38/69/643353869.db2.gz LYXXULFZVJBQPR-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CC[C@@H]2C)s1 ZINC000307266629 643426713 /nfs/dbraw/zinc/42/67/13/643426713.db2.gz DAAVWIYSLLTEFH-ZKWXMUAHSA-N 0 1 211.334 2.296 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])s1 ZINC000083415432 643448329 /nfs/dbraw/zinc/44/83/29/643448329.db2.gz HDFGDMPJGFOJQQ-MRVPVSSYSA-N 0 1 227.329 2.209 20 0 BEADMN Cc1ccsc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000083415393 643448476 /nfs/dbraw/zinc/44/84/76/643448476.db2.gz NTSDSNHWTCSYJP-SECBINFHSA-N 0 1 227.329 2.209 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@H]2CCCS2)n1 ZINC000070004734 643453946 /nfs/dbraw/zinc/45/39/46/643453946.db2.gz BTDYZEHMZIOGPP-JGVFFNPUSA-N 0 1 227.333 2.294 20 0 BEADMN Cc1cccc(-c2nc([C@H](N)C(C)C)no2)n1 ZINC000041123342 643492743 /nfs/dbraw/zinc/49/27/43/643492743.db2.gz OYTPSVIRHOVTGU-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN Cc1nonc1CN(CC1CC1)CC1CC1 ZINC000734487082 643499637 /nfs/dbraw/zinc/49/96/37/643499637.db2.gz DJCJQDAIRAOQLA-UHFFFAOYSA-N 0 1 221.304 2.000 20 0 BEADMN CN(Cn1ccc(Br)n1)C1CCC1 ZINC000307574111 643517153 /nfs/dbraw/zinc/51/71/53/643517153.db2.gz GUHHYALESXNRDP-UHFFFAOYSA-N 0 1 244.136 2.087 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])s1 ZINC000083414070 643535538 /nfs/dbraw/zinc/53/55/38/643535538.db2.gz QPSJNJDQVMGYBT-SNVBAGLBSA-N 0 1 239.340 2.496 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])C1CCCC1 ZINC000083638397 643538615 /nfs/dbraw/zinc/53/86/15/643538615.db2.gz OXSMMQDCCQYXKA-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000084049868 643548703 /nfs/dbraw/zinc/54/87/03/643548703.db2.gz RBYPVCABFLTLMR-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C)NCc1nnc(C2CC2)s1 ZINC000084119459 643550727 /nfs/dbraw/zinc/55/07/27/643550727.db2.gz YBYHVVWRRGXCRF-UHFFFAOYSA-N 0 1 211.334 2.304 20 0 BEADMN CC(C)(CC[N@H+]1CCCC1(C)C)C(=O)[O-] ZINC000083638578 643601193 /nfs/dbraw/zinc/60/11/93/643601193.db2.gz WWAMKIOYSWCZNL-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCCC[N@H+]1CCC(C)(C)C(=O)[O-] ZINC000083638352 643601308 /nfs/dbraw/zinc/60/13/08/643601308.db2.gz RBQYHALXJGONAS-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000050126852 643605670 /nfs/dbraw/zinc/60/56/70/643605670.db2.gz ZKBVHCJLPINDAN-SNVBAGLBSA-N 0 1 249.310 2.235 20 0 BEADMN Cc1occc1CNCc1c2c(nn1C)CCC2 ZINC000921581707 643613404 /nfs/dbraw/zinc/61/34/04/643613404.db2.gz GLPWKYICNXIJIT-UHFFFAOYSA-N 0 1 245.326 2.100 20 0 BEADMN CCC(CC)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000085612163 643622108 /nfs/dbraw/zinc/62/21/08/643622108.db2.gz QWAALTSXGKNWPD-LLVKDONJSA-N 0 1 245.388 2.315 20 0 BEADMN CC[C@@H]1CN(C/C=C/Cl)CCCO1 ZINC000307757423 643624191 /nfs/dbraw/zinc/62/41/91/643624191.db2.gz LDTVBKHGEVKETN-RXNUUUNCSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1nc(C)c(C[N@H+](C)C(C)(C)C(=O)[O-])s1 ZINC000084149081 643647468 /nfs/dbraw/zinc/64/74/68/643647468.db2.gz GAMNGGSHIXPJHY-UHFFFAOYSA-N 0 1 242.344 2.055 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000085161432 643688465 /nfs/dbraw/zinc/68/84/65/643688465.db2.gz GMOQXSKWLHHLQL-STQMWFEESA-N 0 1 237.347 2.121 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2CCCOC2)c1 ZINC000921706591 643759021 /nfs/dbraw/zinc/75/90/21/643759021.db2.gz YWFQRMVUBVJRRA-NSHDSACASA-N 0 1 240.734 2.312 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@@H](CC)COC ZINC000921765891 643779459 /nfs/dbraw/zinc/77/94/59/643779459.db2.gz PYJAOVQUPUZFDA-QMMMGPOBSA-N 0 1 245.754 2.140 20 0 BEADMN C[C@H](NCc1cnn(C2CCC2)c1)c1cn[nH]c1 ZINC000921933891 643829229 /nfs/dbraw/zinc/82/92/29/643829229.db2.gz BBKSBDFXTOEIEP-JTQLQIEISA-N 0 1 245.330 2.182 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922154305 643875192 /nfs/dbraw/zinc/87/51/92/643875192.db2.gz IOOHDIOHOGFURE-OUAUKWLOSA-N 0 1 233.302 2.089 20 0 BEADMN Cc1cc(F)c(CN[C@@H](C)[C@H](C)O)c(F)c1 ZINC000425390189 643896965 /nfs/dbraw/zinc/89/69/65/643896965.db2.gz YFGBXNCDFRPIOT-IUCAKERBSA-N 0 1 229.270 2.132 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@H]1CC12CC2 ZINC000922198859 643899447 /nfs/dbraw/zinc/89/94/47/643899447.db2.gz VQKSTMXCJPYQNT-VIFPVBQESA-N 0 1 225.723 2.268 20 0 BEADMN COC(=O)c1ccc(CN[C@H]2C=CCC2)c(F)c1 ZINC000922242935 643917052 /nfs/dbraw/zinc/91/70/52/643917052.db2.gz ZPOCWLWSISNORH-LBPRGKRZSA-N 0 1 249.285 2.421 20 0 BEADMN C/C=C\CNCc1c(Cl)n[nH]c1CC ZINC000922292807 643958116 /nfs/dbraw/zinc/95/81/16/643958116.db2.gz DOLZYANELNKUEP-HYXAFXHYSA-N 0 1 213.712 2.291 20 0 BEADMN CC(C)(F)CNCc1cnn(C2CCC2)c1 ZINC000922301031 643961239 /nfs/dbraw/zinc/96/12/39/643961239.db2.gz ZSMRXMURRCDWNG-UHFFFAOYSA-N 0 1 225.311 2.446 20 0 BEADMN FCCn1cc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC000922305802 643962914 /nfs/dbraw/zinc/96/29/14/643962914.db2.gz RTMIRZJXMLVEMG-NWDGAFQWSA-N 0 1 243.301 2.223 20 0 BEADMN CC(C)n1cc(Cl)c(NCc2cnc[nH]2)n1 ZINC000922347292 643978489 /nfs/dbraw/zinc/97/84/89/643978489.db2.gz WBJMVAYDCQNABC-UHFFFAOYSA-N 0 1 239.710 2.453 20 0 BEADMN CCn1nc(C)c(CNCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000922426001 643993951 /nfs/dbraw/zinc/99/39/51/643993951.db2.gz JAJVICGHOTVOED-OLZOCXBDSA-N 0 1 248.374 2.132 20 0 BEADMN Cc1occc1CNCc1cc(N(C)C)ccn1 ZINC000922477921 643999912 /nfs/dbraw/zinc/99/99/12/643999912.db2.gz CBUIGUSXTDLFLN-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN Cc1ccoc1CNCc1cc(N(C)C)ccn1 ZINC000922477889 644000645 /nfs/dbraw/zinc/00/06/45/644000645.db2.gz FRLOLTCVXDBOBX-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN COC(C)(C)[C@H](C)NCc1coc(C2CC2)n1 ZINC000922580263 644031948 /nfs/dbraw/zinc/03/19/48/644031948.db2.gz BGJAUGGLXABZBM-VIFPVBQESA-N 0 1 238.331 2.455 20 0 BEADMN Cc1ncc(CNC(C)(C)/C=C/Cl)n1C ZINC000922645289 644051123 /nfs/dbraw/zinc/05/11/23/644051123.db2.gz PNDJEWKWTBZIBW-AATRIKPKSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@H]2C(F)(F)F)no1 ZINC000922730943 644080805 /nfs/dbraw/zinc/08/08/05/644080805.db2.gz ZPVBPPMXIZOUPO-IONNQARKSA-N 0 1 234.221 2.271 20 0 BEADMN Cn1cnc(CNC[C@H]2CCCC3(CCC3)O2)c1 ZINC000922806895 644098965 /nfs/dbraw/zinc/09/89/65/644098965.db2.gz PSXUONZKWYNJLQ-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN CCC[C@@H](O)CCNCc1csc(C)n1 ZINC000922826341 644102251 /nfs/dbraw/zinc/10/22/51/644102251.db2.gz XSVLDXPGOTZCIS-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN C[C@]1(CNCc2cscn2)CCCCO1 ZINC000922815608 644105399 /nfs/dbraw/zinc/10/53/99/644105399.db2.gz CKWDCEHFWZPSPO-LLVKDONJSA-N 0 1 226.345 2.192 20 0 BEADMN CCc1cc(C(=O)N2CCCCCCC2)n[nH]1 ZINC000097218684 644138685 /nfs/dbraw/zinc/13/86/85/644138685.db2.gz CKVNEAYABDEVFQ-UHFFFAOYSA-N 0 1 235.331 2.378 20 0 BEADMN CCOC1CCN(Cc2cnc(CC)o2)CC1 ZINC000929327534 644144426 /nfs/dbraw/zinc/14/44/26/644144426.db2.gz KABFFSQJADYLMQ-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN Cc1occc1CN(C)CCOC1CC1 ZINC000929335761 644166098 /nfs/dbraw/zinc/16/60/98/644166098.db2.gz LGGGXGPZIQRIMY-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN CCc1onc(C)c1CN[C@@H]1CO[C@@H](CC)C1 ZINC000922982186 644214607 /nfs/dbraw/zinc/21/46/07/644214607.db2.gz OWRDJLQZTWCINL-QWRGUYRKSA-N 0 1 238.331 2.203 20 0 BEADMN Cc1cc(CNC2([C@H]3CCCCO3)CC2)on1 ZINC000923027711 644236545 /nfs/dbraw/zinc/23/65/45/644236545.db2.gz HKZVOMXARQPGSA-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000923273514 644305814 /nfs/dbraw/zinc/30/58/14/644305814.db2.gz WKBZFLYTGSZIKA-LJTDUEICSA-N 0 1 231.295 2.249 20 0 BEADMN O=C([O-])CCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923272539 644307074 /nfs/dbraw/zinc/30/70/74/644307074.db2.gz NTAPIHPULPIUSH-CHWSQXEVSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@]1(Cc2cccs2)CCC[N@H+]1CC(=O)[O-] ZINC000923272476 644307232 /nfs/dbraw/zinc/30/72/32/644307232.db2.gz LOLYCJWYZHWVLD-LBPRGKRZSA-N 0 1 239.340 2.230 20 0 BEADMN C[C@H](C1CCCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000083403788 644402746 /nfs/dbraw/zinc/40/27/46/644402746.db2.gz IRLNKZUXTSEVPF-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN CCC(CC)C[N@H+](CC(=O)[O-])CC(C)C ZINC000083412048 644402951 /nfs/dbraw/zinc/40/29/51/644402951.db2.gz KZSFGKMCTLHIDU-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN CCC(CC)n1ccc(CN[C@@H](CC)CO)n1 ZINC000085173046 644434407 /nfs/dbraw/zinc/43/44/07/644434407.db2.gz TXUKYBPESLVJQM-NSHDSACASA-N 0 1 239.363 2.105 20 0 BEADMN Nc1cccc(CN2CCOC[C@H]2CC2CC2)c1 ZINC000923556899 644500455 /nfs/dbraw/zinc/50/04/55/644500455.db2.gz ZLGBYLWAMAGUEJ-OAHLLOKOSA-N 0 1 246.354 2.270 20 0 BEADMN NCc1cc(C(=O)N2CCCCCCC2)co1 ZINC000187200382 644510313 /nfs/dbraw/zinc/51/03/13/644510313.db2.gz UKLDITLCPDPBPX-UHFFFAOYSA-N 0 1 236.315 2.145 20 0 BEADMN CCC(=O)N[C@@H]1CCN(C/C=C/Cl)[C@H](C)C1 ZINC000946932396 644527284 /nfs/dbraw/zinc/52/72/84/644527284.db2.gz JVCAMVHPDCQGHB-JYBZGJHDSA-N 0 1 244.766 2.118 20 0 BEADMN Cc1ccc(OCCN2CCSCC2)cc1 ZINC000047993859 644535058 /nfs/dbraw/zinc/53/50/58/644535058.db2.gz ICZALQZZMDJQAK-UHFFFAOYSA-N 0 1 237.368 2.423 20 0 BEADMN C=CCCC[C@H](C)N(CC)CCS(C)(=O)=O ZINC000089264065 644539459 /nfs/dbraw/zinc/53/94/59/644539459.db2.gz LXHCTMZTKFCTBS-LBPRGKRZSA-N 0 1 247.404 2.098 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000245866395 644548187 /nfs/dbraw/zinc/54/81/87/644548187.db2.gz GEPZHWLHSVNNKB-UTUOFQBUSA-N 0 1 227.348 2.306 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)[C@H](C)CC ZINC000246532913 644593449 /nfs/dbraw/zinc/59/34/49/644593449.db2.gz CGGQOYBOTWABHD-GHMZBOCLSA-N 0 1 215.337 2.449 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000246627917 644599342 /nfs/dbraw/zinc/59/93/42/644599342.db2.gz HQEYMHXEBFOCSE-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H]1CCN(Cn2cc[nH]c2=S)[C@H]1C ZINC000246732882 644602783 /nfs/dbraw/zinc/60/27/83/644602783.db2.gz GUBIHNZNKYTRGR-IUCAKERBSA-N 0 1 211.334 2.233 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](C)[C@@H]1C ZINC000246769683 644605854 /nfs/dbraw/zinc/60/58/54/644605854.db2.gz OCHZWGARAYIDRA-WOPDTQHZSA-N 0 1 227.348 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000246792359 644605955 /nfs/dbraw/zinc/60/59/55/644605955.db2.gz PDRBHGZPDDDPDT-UTUOFQBUSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)(C)[C@H]1CCCN([C@H]2CCOC2=O)CC1 ZINC000247052950 644620066 /nfs/dbraw/zinc/62/00/66/644620066.db2.gz OPPUDFMYXZVBDX-RYUDHWBXSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H]1CCN(Cn2cccnc2=S)[C@H]1C ZINC000247075835 644620416 /nfs/dbraw/zinc/62/04/16/644620416.db2.gz VCPBCRVHVLPFMH-UWVGGRQHSA-N 0 1 223.345 2.300 20 0 BEADMN C[C@H](NCCOc1cccnc1)c1nccs1 ZINC000091724748 644637602 /nfs/dbraw/zinc/63/76/02/644637602.db2.gz SQUJOAQYJNCFGI-JTQLQIEISA-N 0 1 249.339 2.268 20 0 BEADMN Cc1ccc(C(C)(C)NC(=O)C(F)(F)F)cn1 ZINC000760128085 644645921 /nfs/dbraw/zinc/64/59/21/644645921.db2.gz HPKTZUUQMDUTKD-UHFFFAOYSA-N 0 1 246.232 2.304 20 0 BEADMN CC(C)CN(Cc1cnc[nH]1)CC(F)(F)F ZINC000092030573 644646360 /nfs/dbraw/zinc/64/63/60/644646360.db2.gz IEYJOJVPFJJFIU-UHFFFAOYSA-N 0 1 235.253 2.430 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCC[C@@H](C)C1 ZINC000248560069 644689567 /nfs/dbraw/zinc/68/95/67/644689567.db2.gz MKAKKJXEICAODL-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525617 644718867 /nfs/dbraw/zinc/71/88/67/644718867.db2.gz NCWJOTXAZLPOFY-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000780008795 644722786 /nfs/dbraw/zinc/72/27/86/644722786.db2.gz VYQLCBXQVRMDAK-UZQWBTNVSA-N 0 1 238.375 2.284 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000249898255 644743725 /nfs/dbraw/zinc/74/37/25/644743725.db2.gz VMGCSHIIHIDJFU-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cccc(C)c1CN(C)[C@H]1CCCNC1=O ZINC000782654637 644747289 /nfs/dbraw/zinc/74/72/89/644747289.db2.gz WBTLBPSVZCGZRB-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1C[C@H]1C(C)C)N(C)C ZINC000798855083 644826206 /nfs/dbraw/zinc/82/62/06/644826206.db2.gz MLOCUDRRCXSCNC-FRRDWIJNSA-N 0 1 241.375 2.408 20 0 BEADMN CCCCCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252615265 644870356 /nfs/dbraw/zinc/87/03/56/644870356.db2.gz YWVNBWNDCKYKCU-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])C[C@H]1C ZINC000253067573 644934976 /nfs/dbraw/zinc/93/49/76/644934976.db2.gz KCNNLPJGYMFDGF-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCC1CC1 ZINC000813337217 644939697 /nfs/dbraw/zinc/93/96/97/644939697.db2.gz NUAVFXJPRGSKBO-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@H]1CN(CCC(=O)C2CC2)C[C@H](CC)O1 ZINC000817280602 644969381 /nfs/dbraw/zinc/96/93/81/644969381.db2.gz IVLOAPFULJYMPS-STQMWFEESA-N 0 1 239.359 2.245 20 0 BEADMN CCSCCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000826889516 645068403 /nfs/dbraw/zinc/06/84/03/645068403.db2.gz VZSMZKXHRNWTSF-ZJUUUORDSA-N 0 1 240.376 2.017 20 0 BEADMN CCC(F)(F)CNC(=O)[C@@H]1CCCN1C(C)C ZINC000827279091 645076308 /nfs/dbraw/zinc/07/63/08/645076308.db2.gz QPPIOGQQGNMABB-JTQLQIEISA-N 0 1 248.317 2.021 20 0 BEADMN O=C(c1cnc[nH]1)N1CCCCCCCC1 ZINC000836923401 645181348 /nfs/dbraw/zinc/18/13/48/645181348.db2.gz OLTSTTJKOAWCKT-UHFFFAOYSA-N 0 1 221.304 2.206 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836947709 645182979 /nfs/dbraw/zinc/18/29/79/645182979.db2.gz KXTWYGPYIQCKJU-YFTXEMMHSA-N 0 1 238.375 2.285 20 0 BEADMN CCC/C=C\C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836948966 645183756 /nfs/dbraw/zinc/18/37/56/645183756.db2.gz VAKSAQNOIOXHHD-YXVBKTCISA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nonc1C ZINC000926519167 645249507 /nfs/dbraw/zinc/24/95/07/645249507.db2.gz DMMJXFXFUPMJOF-SFGNSQDASA-N 0 1 209.293 2.075 20 0 BEADMN CCCc1ncc(CN[C@@H]2CO[C@@H](C)[C@H]2C)o1 ZINC000926537561 645263934 /nfs/dbraw/zinc/26/39/34/645263934.db2.gz MOENJNHXGFZIFA-JFGNBEQYSA-N 0 1 238.331 2.140 20 0 BEADMN CCc1nc(CNC2CC(SC)C2)co1 ZINC000926538432 645264647 /nfs/dbraw/zinc/26/46/47/645264647.db2.gz WYHSMUCKSNVTKZ-UHFFFAOYSA-N 0 1 226.345 2.221 20 0 BEADMN CC[C@@H]1CC[C@H](c2nc([C@H](N)C(C)C)no2)O1 ZINC000843153862 645269119 /nfs/dbraw/zinc/26/91/19/645269119.db2.gz WJPGMNOCOUKJFK-OPRDCNLKSA-N 0 1 239.319 2.356 20 0 BEADMN CC[C@@H]1CC[C@@H](c2nc([C@@H](N)C(C)C)no2)O1 ZINC000843153863 645270250 /nfs/dbraw/zinc/27/02/50/645270250.db2.gz WJPGMNOCOUKJFK-UTLUCORTSA-N 0 1 239.319 2.356 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000926570023 645290213 /nfs/dbraw/zinc/29/02/13/645290213.db2.gz WJLCZOFHTBUSBI-JMJZKYOTSA-N 0 1 223.320 2.463 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@H]2CC2(C)C)n1 ZINC000926580111 645299735 /nfs/dbraw/zinc/29/97/35/645299735.db2.gz LONCKSWVPHKHEA-SCZZXKLOSA-N 0 1 222.336 2.056 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000926613236 645313501 /nfs/dbraw/zinc/31/35/01/645313501.db2.gz BYNORQDNSKZFEE-SAXRGWBVSA-N 0 1 235.302 2.248 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CCS[C@H]2C)on1 ZINC000926640083 645328193 /nfs/dbraw/zinc/32/81/93/645328193.db2.gz CFQXYXCVILOWOE-XHNCKOQMSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@@H](NC1(C2CCC2)CC1)c1cc(CO)on1 ZINC000926650221 645334336 /nfs/dbraw/zinc/33/43/36/645334336.db2.gz SZYUIAXYNZCYIS-SECBINFHSA-N 0 1 236.315 2.150 20 0 BEADMN FC1(F)C[C@]12CCCN(Cc1cc[nH]n1)C2 ZINC000844445025 645334416 /nfs/dbraw/zinc/33/44/16/645334416.db2.gz WTADGSMXEHGYAX-JTQLQIEISA-N 0 1 227.258 2.031 20 0 BEADMN CC[C@@H]1CCC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844690773 645344541 /nfs/dbraw/zinc/34/45/41/645344541.db2.gz CFPSRJOXEAUEOB-GFCCVEGCSA-N 0 1 236.359 2.363 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H](C)Cc1ccccn1 ZINC000926670140 645346758 /nfs/dbraw/zinc/34/67/58/645346758.db2.gz WERGNTSLKBKAQA-UWVGGRQHSA-N 0 1 246.314 2.055 20 0 BEADMN C[C@@H](NC[C@@H]1CCN1C(C)(C)C)c1ncco1 ZINC000926670891 645347214 /nfs/dbraw/zinc/34/72/14/645347214.db2.gz GJKIXTAEYRJTQD-MNOVXSKESA-N 0 1 237.347 2.198 20 0 BEADMN C[C@@H]1[C@@H](NCc2noc3ccccc32)CO[C@H]1C ZINC000926672629 645347670 /nfs/dbraw/zinc/34/76/70/645347670.db2.gz HJDGMUNROIDYKT-KWBADKCTSA-N 0 1 246.310 2.341 20 0 BEADMN COC1CC(CCN[C@@H](C)c2ncco2)C1 ZINC000926675926 645350234 /nfs/dbraw/zinc/35/02/34/645350234.db2.gz JJTVKSUFPHSPRD-WHXUTIOJSA-N 0 1 224.304 2.140 20 0 BEADMN CC(C)n1cc([C@H](C)NCCc2ccoc2)nn1 ZINC000926702528 645366946 /nfs/dbraw/zinc/36/69/46/645366946.db2.gz OHNIFLCBVCTRFF-NSHDSACASA-N 0 1 248.330 2.345 20 0 BEADMN COc1cc([C@@H](C)NCCc2ccoc2)on1 ZINC000926702208 645367165 /nfs/dbraw/zinc/36/71/65/645367165.db2.gz NTDKWBAFPFHPKA-SECBINFHSA-N 0 1 236.271 2.170 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@]1(C)CC1(C)C ZINC000926722111 645384994 /nfs/dbraw/zinc/38/49/94/645384994.db2.gz RTCLYRJCVXKTPJ-RDDDGLTNSA-N 0 1 209.293 2.217 20 0 BEADMN CC(C)CC1(N[C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926725226 645386195 /nfs/dbraw/zinc/38/61/95/645386195.db2.gz RFWUOIWHXOTWLM-MNOVXSKESA-N 0 1 234.347 2.452 20 0 BEADMN CC(C)CC1(N[C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926725225 645386729 /nfs/dbraw/zinc/38/67/29/645386729.db2.gz RFWUOIWHXOTWLM-GHMZBOCLSA-N 0 1 234.347 2.452 20 0 BEADMN C[C@@H]1C[C@@H](NCCCc2ccco2)c2ncnn21 ZINC000926728794 645388553 /nfs/dbraw/zinc/38/85/53/645388553.db2.gz SLEKCWCPAFURDA-ZYHUDNBSSA-N 0 1 246.314 2.099 20 0 BEADMN CCn1nc(C)c([C@H](C)NC2CC(C)(C)C2)n1 ZINC000926731691 645392164 /nfs/dbraw/zinc/39/21/64/645392164.db2.gz DHQMMHVYFNMXAU-VIFPVBQESA-N 0 1 236.363 2.446 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@@H]1CC1(F)F ZINC000926737257 645394897 /nfs/dbraw/zinc/39/48/97/645394897.db2.gz OIZZJZDKQBUEED-HTRCEHHLSA-N 0 1 231.246 2.074 20 0 BEADMN Cc1ncccc1CN[C@H](C)c1ccnnc1 ZINC000926760988 645407378 /nfs/dbraw/zinc/40/73/78/645407378.db2.gz PSFPSKRZHDOFHJ-LLVKDONJSA-N 0 1 228.299 2.031 20 0 BEADMN C[C@H](NCC[C@H]1CCSC1)c1ncco1 ZINC000926780245 645427838 /nfs/dbraw/zinc/42/78/38/645427838.db2.gz YEERHYSZRJWCHF-UWVGGRQHSA-N 0 1 226.345 2.468 20 0 BEADMN C[C@H](NCCCCC1CC1)c1cc(CO)on1 ZINC000926802389 645440235 /nfs/dbraw/zinc/44/02/35/645440235.db2.gz UVPKADQOYVUJLK-JTQLQIEISA-N 0 1 238.331 2.398 20 0 BEADMN C=C/C=C/CCN[C@H](C)c1nn(CC)nc1C ZINC000926843735 645454988 /nfs/dbraw/zinc/45/49/88/645454988.db2.gz JCABERWVLXYQFD-WSKFYRRCSA-N 0 1 234.347 2.389 20 0 BEADMN CCN1CC[C@@H]1CN[C@H]1CCCc2oc(C)nc21 ZINC000926858146 645461198 /nfs/dbraw/zinc/46/11/98/645461198.db2.gz KXYQETDIWAPBAG-NEPJUHHUSA-N 0 1 249.358 2.044 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000926880948 645475759 /nfs/dbraw/zinc/47/57/59/645475759.db2.gz VVMZGMPGCRHAAS-OHBODLIOSA-N 0 1 235.331 2.465 20 0 BEADMN CCC[C@@H](O)CCN[C@@H](C)c1cscn1 ZINC000927018885 645510453 /nfs/dbraw/zinc/51/04/53/645510453.db2.gz PTALBGXUWWDMIY-VHSXEESVSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@H](O)CCN[C@H](C)c1cscn1 ZINC000927018886 645510837 /nfs/dbraw/zinc/51/08/37/645510837.db2.gz PTALBGXUWWDMIY-ZJUUUORDSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@H](O)CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000927020414 645521039 /nfs/dbraw/zinc/52/10/39/645521039.db2.gz JOYATYDBKXXLBP-SDDRHHMPSA-N 0 1 237.347 2.030 20 0 BEADMN CCc1onc(C)c1CN[C@@H]1COCC1(C)C ZINC000927130820 645562518 /nfs/dbraw/zinc/56/25/18/645562518.db2.gz GUHCJZXCXURJOT-GFCCVEGCSA-N 0 1 238.331 2.060 20 0 BEADMN CCc1onc(C)c1CN[C@H]1COCC1(C)C ZINC000927130821 645563088 /nfs/dbraw/zinc/56/30/88/645563088.db2.gz GUHCJZXCXURJOT-LBPRGKRZSA-N 0 1 238.331 2.060 20 0 BEADMN CC[C@H](C)CC(=O)NCc1cc(N(C)C)ccn1 ZINC000927699099 645638440 /nfs/dbraw/zinc/63/84/40/645638440.db2.gz KEDRBADZTIFLEN-NSHDSACASA-N 0 1 249.358 2.200 20 0 BEADMN CC/C(C)=C\C(=O)NCc1cc(N(C)C)ccn1 ZINC000927697845 645640164 /nfs/dbraw/zinc/64/01/64/645640164.db2.gz RVCHKNUCKZMYTR-FLIBITNWSA-N 0 1 247.342 2.120 20 0 BEADMN CC(C)[C@H](C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927703624 645642695 /nfs/dbraw/zinc/64/26/95/645642695.db2.gz LSJFJVWEWWMFDK-NSHDSACASA-N 0 1 249.358 2.056 20 0 BEADMN CC/C=C(\C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927707202 645644770 /nfs/dbraw/zinc/64/47/70/645644770.db2.gz VREPZJLTVXQSTN-IZZDOVSWSA-N 0 1 247.342 2.120 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccn(C)n1 ZINC000878705345 645824148 /nfs/dbraw/zinc/82/41/48/645824148.db2.gz UXGKECQNVJYGMX-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN CC[C@@H](C(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928568322 645829381 /nfs/dbraw/zinc/82/93/81/645829381.db2.gz SWPRZXCMMSJQQP-UONOGXRCSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(C(C)C)nc1)N(C)C ZINC000928620772 645848533 /nfs/dbraw/zinc/84/85/33/645848533.db2.gz JPOWJPRJCIRWCD-CYBMUJFWSA-N 0 1 249.358 2.484 20 0 BEADMN Cc1noc(C(C)C)c1NC(=O)c1cnco1 ZINC000928785944 645857412 /nfs/dbraw/zinc/85/74/12/645857412.db2.gz LCYNCMUQPJPHBF-UHFFFAOYSA-N 0 1 235.243 2.347 20 0 BEADMN CCn1cc(CN2CCCCCCC2)nn1 ZINC000883996375 645865189 /nfs/dbraw/zinc/86/51/89/645865189.db2.gz YRVMMJINOJRDGA-UHFFFAOYSA-N 0 1 222.336 2.064 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000925484037 645919463 /nfs/dbraw/zinc/91/94/63/645919463.db2.gz BQGOETPTMDQCQZ-ZRUFSTJUSA-N 0 1 220.320 2.062 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@H]1C[C@@H](C)n2ncnc21 ZINC000925484028 645919581 /nfs/dbraw/zinc/91/95/81/645919581.db2.gz BQGOETPTMDQCQZ-ZNSHCXBVSA-N 0 1 220.320 2.062 20 0 BEADMN CCC1(CN[C@@H](C)c2cc(CO)on2)CC1 ZINC000925498728 645934091 /nfs/dbraw/zinc/93/40/91/645934091.db2.gz RVWRPUPCGWBBRN-VIFPVBQESA-N 0 1 224.304 2.008 20 0 BEADMN CC[C@H](C)NC(=O)c1cccc(F)c1O ZINC000929104785 645945110 /nfs/dbraw/zinc/94/51/10/645945110.db2.gz WZEDQGWKKAVWOQ-ZETCQYMHSA-N 0 1 211.236 2.060 20 0 BEADMN COC(=O)/C=C(\C)CN1CCc2ccccc2C1 ZINC000929124301 645957482 /nfs/dbraw/zinc/95/74/82/645957482.db2.gz HPLKWGXBXMYJHE-FMIVXFBMSA-N 0 1 245.322 2.164 20 0 BEADMN CC(C)N1CCC[C@H]1c1nc(-c2c[nH]cn2)no1 ZINC000924092851 645977996 /nfs/dbraw/zinc/97/79/96/645977996.db2.gz QZROORZWZASPIC-JTQLQIEISA-N 0 1 247.302 2.005 20 0 BEADMN Cc1nnc(CCN2CCc3sccc3C2)o1 ZINC000929198001 645998933 /nfs/dbraw/zinc/99/89/33/645998933.db2.gz BMBVQPAMPZBNAL-UHFFFAOYSA-N 0 1 249.339 2.040 20 0 BEADMN CCC(CC)NC(=O)c1cccc(F)c1O ZINC000929200147 646002019 /nfs/dbraw/zinc/00/20/19/646002019.db2.gz GBQMPPAZRGTNRR-UHFFFAOYSA-N 0 1 225.263 2.450 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)Cc1cc(C)on1 ZINC000929257440 646041175 /nfs/dbraw/zinc/04/11/75/646041175.db2.gz MQKGKJUYUSKGGV-MNOVXSKESA-N 0 1 208.305 2.461 20 0 BEADMN C[C@@H](NCCCc1ccccc1)c1cnn(C)n1 ZINC000924536184 646055090 /nfs/dbraw/zinc/05/50/90/646055090.db2.gz REROITIEGWVPNE-GFCCVEGCSA-N 0 1 244.342 2.099 20 0 BEADMN CCCCCCN[C@@H](C)c1cc(CO)on1 ZINC000924540462 646058910 /nfs/dbraw/zinc/05/89/10/646058910.db2.gz WGCJJFFDFQAMMT-JTQLQIEISA-N 0 1 226.320 2.398 20 0 BEADMN C[C@H](N[C@@H](C)c1ccnnc1)c1cccnc1 ZINC000924560414 646069020 /nfs/dbraw/zinc/06/90/20/646069020.db2.gz BPAYANGSLKADMM-QWRGUYRKSA-N 0 1 228.299 2.283 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H](C)Cc1ccco1 ZINC000924609689 646075909 /nfs/dbraw/zinc/07/59/09/646075909.db2.gz MUZPJWCWBZDHLO-IUCAKERBSA-N 0 1 235.287 2.253 20 0 BEADMN CCN(CCOC)Cc1cc(C)cc(C)n1 ZINC000929341073 646088602 /nfs/dbraw/zinc/08/86/02/646088602.db2.gz KAKGPYWZAOEEEE-UHFFFAOYSA-N 0 1 222.332 2.167 20 0 BEADMN COC(=O)/C=C(/C)CN(C)[C@@H](C)c1ccco1 ZINC000929369581 646101237 /nfs/dbraw/zinc/10/12/37/646101237.db2.gz CGHLWJYEBBBAOY-IEHMKBBKSA-N 0 1 237.299 2.392 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC(C)(C)C ZINC000924790757 646106584 /nfs/dbraw/zinc/10/65/84/646106584.db2.gz DATLBCPXHJOHQA-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN C[C@H](NCCc1ccc(O)cc1)c1ncco1 ZINC000924801222 646110361 /nfs/dbraw/zinc/11/03/61/646110361.db2.gz NZPWFVFOXPLQBB-JTQLQIEISA-N 0 1 232.283 2.274 20 0 BEADMN CCc1ncc(CN(CC)C[C@H]2CCCO2)o1 ZINC000929416766 646111704 /nfs/dbraw/zinc/11/17/04/646111704.db2.gz BPDSUYIJSADCAE-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN CNC(=O)[C@@H]1CCCCN1CCCC(C)(F)F ZINC000929472663 646131988 /nfs/dbraw/zinc/13/19/88/646131988.db2.gz QCGUYQJQRRMNPZ-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CC1(C)CCN(Cc2[nH]nc3c2COCC3)CC1 ZINC000929484102 646140090 /nfs/dbraw/zinc/14/00/90/646140090.db2.gz UYKHNRBLHOICJD-UHFFFAOYSA-N 0 1 249.358 2.104 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCCO[C@@H](C)C1 ZINC000929487423 646143617 /nfs/dbraw/zinc/14/36/17/646143617.db2.gz HDSDFHMMJCKQLF-QWRGUYRKSA-N 0 1 238.306 2.393 20 0 BEADMN C[C@H](NCc1cccc(CO)c1)c1ccns1 ZINC000924972045 646147858 /nfs/dbraw/zinc/14/78/58/646147858.db2.gz GWEIGEBRJHQESU-JTQLQIEISA-N 0 1 248.351 2.486 20 0 BEADMN CC[C@@H]1CCCN1CC[S@@](=O)C(F)(F)F ZINC000929492533 646148742 /nfs/dbraw/zinc/14/87/42/646148742.db2.gz PIHXKPSOXXMBSS-ANRSDYALSA-N 0 1 243.294 2.129 20 0 BEADMN CCc1nc([C@H](C)N[C@@H]2COC[C@H]2C)cs1 ZINC000925033615 646162813 /nfs/dbraw/zinc/16/28/13/646162813.db2.gz MSDDJIIWNKIWDR-KXUCPTDWSA-N 0 1 240.372 2.391 20 0 BEADMN CCC[N@@H+](Cc1cc(C)nnc1C)C1CC1 ZINC000929517158 646168287 /nfs/dbraw/zinc/16/82/87/646168287.db2.gz UEFNWTLCPTVNKC-UHFFFAOYSA-N 0 1 219.332 2.468 20 0 BEADMN CC[C@H]1COC[C@H]1NCc1cc(C(C)C)no1 ZINC000925066054 646173425 /nfs/dbraw/zinc/17/34/25/646173425.db2.gz ATDKWVHPRIIZMK-GXFFZTMASA-N 0 1 238.331 2.313 20 0 BEADMN CC[C@@H]1COC[C@H]1NCc1cc(C(C)C)no1 ZINC000925066056 646174810 /nfs/dbraw/zinc/17/48/10/646174810.db2.gz ATDKWVHPRIIZMK-ZWNOBZJWSA-N 0 1 238.331 2.313 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCCCSC)n1 ZINC000925096501 646182192 /nfs/dbraw/zinc/18/21/92/646182192.db2.gz YSLNUQFWLZEHGL-SECBINFHSA-N 0 1 242.392 2.010 20 0 BEADMN CSCCCCN[C@H](C)c1ncco1 ZINC000925098469 646184953 /nfs/dbraw/zinc/18/49/53/646184953.db2.gz MRTPJCRDJKLGAC-SECBINFHSA-N 0 1 214.334 2.468 20 0 BEADMN C[C@@H](NC[C@H]1CCCn2ccnc21)c1ncco1 ZINC000925173536 646199396 /nfs/dbraw/zinc/19/93/96/646199396.db2.gz YRYBGEQBBGKOBG-GHMZBOCLSA-N 0 1 246.314 2.099 20 0 BEADMN Cc1cn(C)nc1CN1CC[C@@H](c2ccco2)C1 ZINC000929617803 646201480 /nfs/dbraw/zinc/20/14/80/646201480.db2.gz KPCLZZSYZBBFFT-GFCCVEGCSA-N 0 1 245.326 2.311 20 0 BEADMN CO[C@H](CN[C@@H](C)c1cn(C)cn1)C(C)(C)C ZINC000925187067 646202125 /nfs/dbraw/zinc/20/21/25/646202125.db2.gz BGAQPBNQHNFNTM-CMPLNLGQSA-N 0 1 239.363 2.132 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)C[C@H](C)O1 ZINC000929618863 646203519 /nfs/dbraw/zinc/20/35/19/646203519.db2.gz CVDGINODOICIDQ-BLJGWETHSA-N 0 1 227.348 2.078 20 0 BEADMN CC(C)C[C@H](CCO)CN[C@H](C)c1ncco1 ZINC000925189087 646205211 /nfs/dbraw/zinc/20/52/11/646205211.db2.gz JZJKUMHHVUJEFH-NEPJUHHUSA-N 0 1 240.347 2.370 20 0 BEADMN C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1ncco1 ZINC000925211950 646210021 /nfs/dbraw/zinc/21/00/21/646210021.db2.gz CVJHAKJETRSXBO-GMXVVIOVSA-N 0 1 238.331 2.266 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@@H]1CC(C)C ZINC000929643607 646215829 /nfs/dbraw/zinc/21/58/29/646215829.db2.gz BEVXGYHHHUSRNG-GUVYXZIWSA-N 0 1 241.375 2.326 20 0 BEADMN C[C@@H](NCc1ccc(F)cn1)C1(Cl)CC1 ZINC000925284936 646231167 /nfs/dbraw/zinc/23/11/67/646231167.db2.gz JGCYUOAIFQNWIA-MRVPVSSYSA-N 0 1 228.698 2.470 20 0 BEADMN CC(C)c1csc(CN[C@H]2COC[C@H]2C)n1 ZINC000925282994 646231175 /nfs/dbraw/zinc/23/11/75/646231175.db2.gz MQWYLISBTNPGIH-ZJUUUORDSA-N 0 1 240.372 2.391 20 0 BEADMN C[C@H](NCc1ccc(F)cn1)C1(Cl)CC1 ZINC000925284937 646232525 /nfs/dbraw/zinc/23/25/25/646232525.db2.gz JGCYUOAIFQNWIA-QMMMGPOBSA-N 0 1 228.698 2.470 20 0 BEADMN O=C(c1cccc(F)c1O)N1C2CCC1CC2 ZINC000929677762 646236666 /nfs/dbraw/zinc/23/66/66/646236666.db2.gz ZBMTWKQXXHFUFC-UHFFFAOYSA-N 0 1 235.258 2.298 20 0 BEADMN C[C@@H](NCCCC1CC1)c1cc(CO)on1 ZINC000925438399 646284145 /nfs/dbraw/zinc/28/41/45/646284145.db2.gz YKVQNDNMGJBHIB-SECBINFHSA-N 0 1 224.304 2.008 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCSC1 ZINC000925479813 646291069 /nfs/dbraw/zinc/29/10/69/646291069.db2.gz KDEAIOWXZPQYDB-ZJUUUORDSA-N 0 1 238.356 2.456 20 0 BEADMN CC(C)n1cc([C@H](C)NC2CC(C)C2)nn1 ZINC000925486615 646296978 /nfs/dbraw/zinc/29/69/78/646296978.db2.gz JLRQDALZDQZOFM-YVNMAJEFSA-N 0 1 222.336 2.308 20 0 BEADMN C[C@@H](N[C@@H](CO)C1CCCCC1)c1ncco1 ZINC000925492783 646299856 /nfs/dbraw/zinc/29/98/56/646299856.db2.gz NFMRHSXINAAIKI-PWSUYJOCSA-N 0 1 238.331 2.266 20 0 BEADMN CO[C@@H]1CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929789645 646318107 /nfs/dbraw/zinc/31/81/07/646318107.db2.gz XPUYNBWVCUFNCF-MWLCHTKSSA-N 0 1 224.279 2.002 20 0 BEADMN COCCC1(CN[C@H](C)c2ncco2)CC1 ZINC000925565496 646338086 /nfs/dbraw/zinc/33/80/86/646338086.db2.gz SLSVHLQJHMOWBN-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN Cc1ncc(CCN[C@H](C)c2ncco2)s1 ZINC000925571595 646339073 /nfs/dbraw/zinc/33/90/73/646339073.db2.gz CVHSZGUYCIQLLY-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H](C)CC(C)C ZINC000925601107 646353613 /nfs/dbraw/zinc/35/36/13/646353613.db2.gz KIRNOUPTGNGNIK-BDAKNGLRSA-N 0 1 211.309 2.463 20 0 BEADMN C[C@H]1OCCN(CCCc2cccnc2)[C@H]1C ZINC000929845109 646354059 /nfs/dbraw/zinc/35/40/59/646354059.db2.gz VRXJURRRIUMPPX-QWHCGFSZSA-N 0 1 234.343 2.123 20 0 BEADMN CSC[C@@H]1CCCN1Cc1nn(C)cc1C ZINC000929853135 646355183 /nfs/dbraw/zinc/35/51/83/646355183.db2.gz GSTCZABEQKMEHY-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN C[C@@H](N[C@H](C)c1ccnnc1)c1ccc[nH]1 ZINC000925646606 646386711 /nfs/dbraw/zinc/38/67/11/646386711.db2.gz VINIEQMUWWLTEF-NXEZZACHSA-N 0 1 216.288 2.217 20 0 BEADMN COC/C(C)=C/CN(C)Cc1cccc(C)n1 ZINC000929994221 646388364 /nfs/dbraw/zinc/38/83/64/646388364.db2.gz UAJWQNGTSYMSCV-XYOKQWHBSA-N 0 1 234.343 2.415 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H]1C)c1cn2c(n1)CCCC2 ZINC000925660737 646397029 /nfs/dbraw/zinc/39/70/29/646397029.db2.gz AHZJHOKWOZYFKR-SRVKXCTJSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCO[C@@H]1C ZINC000925662328 646398202 /nfs/dbraw/zinc/39/82/02/646398202.db2.gz GUDPLCDEAVLLBR-IEBDPFPHSA-N 0 1 236.315 2.127 20 0 BEADMN CC(C)C(C(C)C)[C@H](C)NCc1ncn(C)n1 ZINC000925674685 646404440 /nfs/dbraw/zinc/40/44/40/646404440.db2.gz RYRJXFBESAWMIV-NSHDSACASA-N 0 1 238.379 2.221 20 0 BEADMN C[C@H](c1ncccn1)N(C)CCC1CC1 ZINC000930064960 646416919 /nfs/dbraw/zinc/41/69/19/646416919.db2.gz YSWTXQHBWUCYKE-SNVBAGLBSA-N 0 1 205.305 2.270 20 0 BEADMN CCc1ncc(CN2CC=C(C)CC2)o1 ZINC000930096014 646434523 /nfs/dbraw/zinc/43/45/23/646434523.db2.gz VBTXJPXEFBSIRG-UHFFFAOYSA-N 0 1 206.289 2.389 20 0 BEADMN C[C@H](c1cccnc1)N(C)CCOC1CC1 ZINC000930119249 646442626 /nfs/dbraw/zinc/44/26/26/646442626.db2.gz MOWOHHXBCXZDCS-LLVKDONJSA-N 0 1 220.316 2.253 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1nn(C)cc1C ZINC000930179536 646483113 /nfs/dbraw/zinc/48/31/13/646483113.db2.gz OKLGFRPSAAHRMU-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1cccc(C2CC2)c1 ZINC000925859318 646513077 /nfs/dbraw/zinc/51/30/77/646513077.db2.gz HLABHSUBHTURRF-QMTHXVAHSA-N 0 1 232.327 2.118 20 0 BEADMN CSC1CC(Nc2ccc3nn[nH]c3c2)C1 ZINC000925921579 646541639 /nfs/dbraw/zinc/54/16/39/646541639.db2.gz VXMMBJGGGFUDSQ-UHFFFAOYSA-N 0 1 234.328 2.264 20 0 BEADMN CSC1CC(Nc2ccc3n[nH]nc3c2)C1 ZINC000925921579 646541643 /nfs/dbraw/zinc/54/16/43/646541643.db2.gz VXMMBJGGGFUDSQ-UHFFFAOYSA-N 0 1 234.328 2.264 20 0 BEADMN Cc1nonc1[C@H](C)NCCCCOC(C)C ZINC000926129495 646580697 /nfs/dbraw/zinc/58/06/97/646580697.db2.gz FHCJNFPAOJQBCN-JTQLQIEISA-N 0 1 241.335 2.234 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H](C2CC2)C1)c1ncco1 ZINC000926184610 646590590 /nfs/dbraw/zinc/59/05/90/646590590.db2.gz UQJMOGUPLLJAPE-DLOVCJGASA-N 0 1 236.315 2.283 20 0 BEADMN C[C@@H](N[C@H](CCO)c1ccco1)C1(Cl)CC1 ZINC000926195858 646592833 /nfs/dbraw/zinc/59/28/33/646592833.db2.gz GJKWHWSNDXICOB-NXEZZACHSA-N 0 1 243.734 2.453 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NCCC(C)(C)O ZINC000926212537 646595654 /nfs/dbraw/zinc/59/56/54/646595654.db2.gz KXGPMFLOKDQHRM-JTQLQIEISA-N 0 1 238.331 2.111 20 0 BEADMN CCC(C)(C)CN[C@H](C)c1nonc1C ZINC000926280349 646610174 /nfs/dbraw/zinc/61/01/74/646610174.db2.gz ARALVPVLYCITKT-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CC23CCCC3)c2ncnn21 ZINC000926282221 646610569 /nfs/dbraw/zinc/61/05/69/646610569.db2.gz BZXPBYGXOOBSEL-MXWKQRLJSA-N 0 1 232.331 2.206 20 0 BEADMN C[C@H](NC[C@@H]1CCCCN1C1CC1)c1ncco1 ZINC000926290324 646612605 /nfs/dbraw/zinc/61/26/05/646612605.db2.gz MDZVDKOUJSMYSX-AAEUAGOBSA-N 0 1 249.358 2.342 20 0 BEADMN CSC1(CN[C@H](C)c2nonc2C)CCC1 ZINC000926312940 646613953 /nfs/dbraw/zinc/61/39/53/646613953.db2.gz CJDFEKNAHVMFDB-MRVPVSSYSA-N 0 1 241.360 2.314 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NCCC[C@H](C)O ZINC000926316616 646614628 /nfs/dbraw/zinc/61/46/28/646614628.db2.gz WIQPULPNBFENGE-GXSJLCMTSA-N 0 1 238.331 2.111 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC1(F)CCC1 ZINC000926425641 646635581 /nfs/dbraw/zinc/63/55/81/646635581.db2.gz HTCCOEGPQJTBGE-MRVPVSSYSA-N 0 1 227.283 2.311 20 0 BEADMN C[C@@H]1C[C@@H](NCCC2(F)CCC2)c2ncnn21 ZINC000926423722 646635916 /nfs/dbraw/zinc/63/59/16/646635916.db2.gz KMFIICBHRQHJOE-NXEZZACHSA-N 0 1 238.310 2.156 20 0 BEADMN C[C@@H]1COC[C@@H](C)C1N[C@@H]1CCCC1(F)F ZINC000926428191 646636879 /nfs/dbraw/zinc/63/68/79/646636879.db2.gz HHHKFCKHXASORE-OPRDCNLKSA-N 0 1 233.302 2.435 20 0 BEADMN CCOCC(C)(C)CN[C@H](C)c1nonc1C ZINC000926438979 646639399 /nfs/dbraw/zinc/63/93/99/646639399.db2.gz SQAZUPPBZASJPP-SECBINFHSA-N 0 1 241.335 2.091 20 0 BEADMN CCC[C@@H](CN[C@@H](C)c1cc(OC)no1)OC ZINC000926503162 646663462 /nfs/dbraw/zinc/66/34/62/646663462.db2.gz UITHDWJHBPZXJY-UWVGGRQHSA-N 0 1 242.319 2.149 20 0 BEADMN CC[N@@H+](Cc1cncc(C(=O)[O-])c1)C(C)C ZINC000721531010 711618177 /nfs/dbraw/zinc/61/81/77/711618177.db2.gz LMXWNSZQYNFULW-UHFFFAOYSA-N 0 1 222.288 2.010 20 0 BEADMN COC(C)(C)CN[C@@H]1CCCc2oc(C)nc21 ZINC000925270832 711793460 /nfs/dbraw/zinc/79/34/60/711793460.db2.gz PNALUKJLDGQFHC-SNVBAGLBSA-N 0 1 238.331 2.375 20 0 BEADMN O=C(CC1=CCCCC1)OCCN1CCC1 ZINC000861387590 711790735 /nfs/dbraw/zinc/79/07/35/711790735.db2.gz LFASSELICOSGPT-UHFFFAOYSA-N 0 1 223.316 2.126 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)CC2CCC2)C1 ZINC001030184338 711827501 /nfs/dbraw/zinc/82/75/01/711827501.db2.gz PUNLXLHZLHGXIV-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN Fc1cc(CNC2CSC2)cc(F)c1F ZINC000702031175 711865733 /nfs/dbraw/zinc/86/57/33/711865733.db2.gz VRZPOVNMVKZPLW-UHFFFAOYSA-N 0 1 233.258 2.309 20 0 BEADMN Cc1cnc(CNCCC2SCCS2)o1 ZINC000700422352 711992813 /nfs/dbraw/zinc/99/28/13/711992813.db2.gz XBJRFALLYNQUGA-UHFFFAOYSA-N 0 1 244.385 2.269 20 0 BEADMN O=C(N[C@H]1C=CCC1)c1ccc(O)c(Cl)c1 ZINC000700623326 712002658 /nfs/dbraw/zinc/00/26/58/712002658.db2.gz WOVDOXOLKGZKKC-VIFPVBQESA-N 0 1 237.686 2.494 20 0 BEADMN CC1(C)C[C@@]1(C)CNCc1csnn1 ZINC000701974231 712033755 /nfs/dbraw/zinc/03/37/55/712033755.db2.gz YIJJXLTXUTUFKU-JTQLQIEISA-N 0 1 211.334 2.064 20 0 BEADMN CC1(O)CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000702987633 712063480 /nfs/dbraw/zinc/06/34/80/712063480.db2.gz FJSLJGFJHBHMIB-HSOILSAZSA-N 0 1 233.302 2.457 20 0 BEADMN CS[C@H]1CCCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000707280021 712166730 /nfs/dbraw/zinc/16/67/30/712166730.db2.gz WUCHXKRXQPIPQU-RUYJGKKWSA-N 0 1 243.372 2.235 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709058142 712207197 /nfs/dbraw/zinc/20/71/97/712207197.db2.gz CDPFVWCOTAYQJJ-IONNQARKSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](C)CN1CCc2sc(CN)nc2C1 ZINC000709754972 712217334 /nfs/dbraw/zinc/21/73/34/712217334.db2.gz MAXMEFIJSOIVCX-VIFPVBQESA-N 0 1 239.388 2.006 20 0 BEADMN Cc1nccnc1[C@H](C)NCCOC1CCC1 ZINC000709808374 712228130 /nfs/dbraw/zinc/22/81/30/712228130.db2.gz RMYPROVDGQUZNJ-NSHDSACASA-N 0 1 235.331 2.005 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1cn(C)cn1 ZINC000709922516 712233467 /nfs/dbraw/zinc/23/34/67/712233467.db2.gz VNDDCJZJQDZVMC-LBPRGKRZSA-N 0 1 239.363 2.133 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@]1(C)C(=O)[O-] ZINC000710151596 712246295 /nfs/dbraw/zinc/24/62/95/712246295.db2.gz BNZVNADKTDLNMX-BXKDBHETSA-N 0 1 239.340 2.291 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711496827 712306999 /nfs/dbraw/zinc/30/69/99/712306999.db2.gz JDVAXHWFROUCAN-QMMMGPOBSA-N 0 1 243.303 2.238 20 0 BEADMN CC(C)(O)C(C)(C)NC/C(Cl)=C\Cl ZINC000379299859 712372132 /nfs/dbraw/zinc/37/21/32/712372132.db2.gz HOPYGXKDLIOSFH-FNORWQNLSA-N 0 1 226.147 2.445 20 0 BEADMN CCCN(C)Cc1cc(Br)nn1C ZINC000379364278 712376692 /nfs/dbraw/zinc/37/66/92/712376692.db2.gz MBZGGRYOEXXUEJ-UHFFFAOYSA-N 0 1 246.152 2.024 20 0 BEADMN CC[C@]1(NC/C(Cl)=C/Cl)CCOC1 ZINC000379393355 712381600 /nfs/dbraw/zinc/38/16/00/712381600.db2.gz ULWRVFDGQNKVSN-RDOCRHDPSA-N 0 1 224.131 2.464 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000713704708 712469352 /nfs/dbraw/zinc/46/93/52/712469352.db2.gz WBQJGPJDKOIMPO-AAOUONPWSA-N 0 1 223.316 2.305 20 0 BEADMN C=C/C=C\CC[N@@H+](CC(=O)[O-])[C@H](C)CC ZINC000713704580 712469513 /nfs/dbraw/zinc/46/95/13/712469513.db2.gz VKBUYUIWKYNDQB-JMEBYUIHSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000713714621 712469972 /nfs/dbraw/zinc/46/99/72/712469972.db2.gz BHLSNRRYWDIMPT-ZFAUCMQBSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000713716075 712469977 /nfs/dbraw/zinc/46/99/77/712469977.db2.gz HLYKILUEWAJAAQ-RUULKOMLSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C\CCN(CC(=O)OCC)C(C)C ZINC000713747641 712471161 /nfs/dbraw/zinc/47/11/61/712471161.db2.gz PSZPDRLLEOVDLV-FPLPWBNLSA-N 0 1 225.332 2.392 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCCC(C)(C)O2)o1 ZINC000714373464 712484735 /nfs/dbraw/zinc/48/47/35/712484735.db2.gz DCVFKQAZLVGMFG-NSHDSACASA-N 0 1 238.331 2.420 20 0 BEADMN CCCn1cc(CN[C@@H]2C[C@H]2CC(C)C)nn1 ZINC000714436248 712486494 /nfs/dbraw/zinc/48/64/94/712486494.db2.gz URUQNDXYFBPQBR-DGCLKSJQSA-N 0 1 236.363 2.212 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNCc1cocn1 ZINC000716634595 712568076 /nfs/dbraw/zinc/56/80/76/712568076.db2.gz GZAPTKARERXFCE-PKZYVASSSA-N 0 1 206.289 2.056 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@@H+](CCCC(=O)[O-])C1 ZINC000379855952 712617185 /nfs/dbraw/zinc/61/71/85/712617185.db2.gz CBZBMMGHCUUWKR-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H](C(F)(F)F)C1)C(F)F ZINC000389898547 712690789 /nfs/dbraw/zinc/69/07/89/712690789.db2.gz AJYHZWGXBLUXAI-LYFYHCNISA-N 0 1 247.207 2.340 20 0 BEADMN Cc1ccc(F)c(CN[C@]23C[C@H]2COC3)c1 ZINC000718053175 712739485 /nfs/dbraw/zinc/73/94/85/712739485.db2.gz UZZOEVKQDKWQJZ-AAEUAGOBSA-N 0 1 221.275 2.013 20 0 BEADMN Clc1ncc(CNCC2=CCCOC2)s1 ZINC000718186464 712752249 /nfs/dbraw/zinc/75/22/49/712752249.db2.gz KENOPNJBSJJHCQ-UHFFFAOYSA-N 0 1 244.747 2.233 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(F)F ZINC000718618457 712773878 /nfs/dbraw/zinc/77/38/78/712773878.db2.gz WHWLPVNAOJVKGU-QMMMGPOBSA-N 0 1 223.263 2.217 20 0 BEADMN CCC[C@@]1(NCc2nocc2C)CCOC1 ZINC000720354583 712833473 /nfs/dbraw/zinc/83/34/73/712833473.db2.gz GMVQSNVBWCZTJL-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN CS[C@@H]1CC[C@@H](NCc2ccon2)C1 ZINC000720383554 712837608 /nfs/dbraw/zinc/83/76/08/712837608.db2.gz OBKGBRVKXMQVTG-PSASIEDQSA-N 0 1 212.318 2.048 20 0 BEADMN C[C@H]1Cc2cc(CNCCF)ccc2O1 ZINC000720779669 712865129 /nfs/dbraw/zinc/86/51/29/712865129.db2.gz MVACKYDVOHQPDI-VIFPVBQESA-N 0 1 209.264 2.069 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)c(C)o1 ZINC000381274812 710615751 /nfs/dbraw/zinc/61/57/51/710615751.db2.gz WQNIUAVJEAWYHL-VIFPVBQESA-N 0 1 219.288 2.470 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CCO)C2CC2)cs1 ZINC000381341186 710625698 /nfs/dbraw/zinc/62/56/98/710625698.db2.gz XQYJCRIFUVKEPM-GZMMTYOYSA-N 0 1 240.372 2.263 20 0 BEADMN CCOCOc1ccc(CNCCF)cc1 ZINC000381490087 710645572 /nfs/dbraw/zinc/64/55/72/710645572.db2.gz XDSPWRVMPLPOSZ-UHFFFAOYSA-N 0 1 227.279 2.119 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000723075722 710724584 /nfs/dbraw/zinc/72/45/84/710724584.db2.gz CWUXRNPOCSNJAH-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000723087537 710726353 /nfs/dbraw/zinc/72/63/53/710726353.db2.gz ZGNKXVMMDGSRLC-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)=CCN1[C@@H]2CCC[C@H]1CN(C(C)=O)C2 ZINC001039492974 710739411 /nfs/dbraw/zinc/73/94/11/710739411.db2.gz MBJXZNFDGAKJPN-OKILXGFUSA-N 0 1 236.359 2.038 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cccc(Cl)n1 ZINC000724119590 710737907 /nfs/dbraw/zinc/73/79/07/710737907.db2.gz IEVFWBQMSIGVKK-GHMZBOCLSA-N 0 1 240.734 2.344 20 0 BEADMN CC[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039514120 710743582 /nfs/dbraw/zinc/74/35/82/710743582.db2.gz CZVITEUPKNNKJF-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN CCC(CC)CN1CC(N(C)C(=O)C(C)C)C1 ZINC001042489396 710787886 /nfs/dbraw/zinc/78/78/86/710787886.db2.gz KEBDNTPIIZKZNZ-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCN1CC(N(C)C(=O)C2=CCCC2)C1 ZINC001042610094 710794678 /nfs/dbraw/zinc/79/46/78/710794678.db2.gz GNZPCKGWVQPOQR-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000380545964 712901525 /nfs/dbraw/zinc/90/15/25/712901525.db2.gz IKUOMMXKXHDTGS-LLVKDONJSA-N 0 1 239.340 2.353 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000380558521 712901583 /nfs/dbraw/zinc/90/15/83/712901583.db2.gz RKLDZVXTFYBAHZ-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CNCc2cccnc2C)cn1 ZINC000383410831 710981182 /nfs/dbraw/zinc/98/11/82/710981182.db2.gz UHCHGDIYLBXSLK-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1nonc1CN[C@@H](C)CC(C)(C)C ZINC000384470455 710994810 /nfs/dbraw/zinc/99/48/10/710994810.db2.gz RHVGFBIJZYZTQF-QMMMGPOBSA-N 0 1 211.309 2.292 20 0 BEADMN C[C@@H]1[C@H](O)CCCN1CCSC(F)(F)F ZINC000384841269 710998148 /nfs/dbraw/zinc/99/81/48/710998148.db2.gz JBKKUCSDDAWLPB-HTQZYQBOSA-N 0 1 243.294 2.085 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC000380614888 712902044 /nfs/dbraw/zinc/90/20/44/712902044.db2.gz BSNHXKIDCXJWDN-NXEZZACHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000380623114 712902143 /nfs/dbraw/zinc/90/21/43/712902143.db2.gz GVYFELSFKUPSDN-ZJUUUORDSA-N 0 1 234.299 2.010 20 0 BEADMN CC1(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CCCC1 ZINC000380775616 712903004 /nfs/dbraw/zinc/90/30/04/712903004.db2.gz AMALIENQNAFRNH-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CSC(C)(C)CC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000385861605 711019281 /nfs/dbraw/zinc/01/92/81/711019281.db2.gz SDJAYYUVMGGISF-GFCCVEGCSA-N 0 1 245.388 2.315 20 0 BEADMN CSC(C)(C)CC[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000385864493 711019539 /nfs/dbraw/zinc/01/95/39/711019539.db2.gz STXDDXPYYVHRLK-JTQLQIEISA-N 0 1 245.388 2.457 20 0 BEADMN CC(C)[N@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385852045 711019808 /nfs/dbraw/zinc/01/98/08/711019808.db2.gz GELLHIUDAGUATE-UHFFFAOYSA-N 0 1 237.290 2.463 20 0 BEADMN CC(C)[N@@H+](CCC(C)(C)C(=O)[O-])CC(F)F ZINC000385852045 711019809 /nfs/dbraw/zinc/01/98/09/711019809.db2.gz GELLHIUDAGUATE-UHFFFAOYSA-N 0 1 237.290 2.463 20 0 BEADMN C[C@](CO)(NC/C=C\Cl)c1ccccc1 ZINC000389608267 711082804 /nfs/dbraw/zinc/08/28/04/711082804.db2.gz DPRWCVKAKUBZMV-VVEJJEBESA-N 0 1 225.719 2.236 20 0 BEADMN FC1(F)CCC[C@@H]1NC[C@@H]1CCCOC1 ZINC000389933292 711098338 /nfs/dbraw/zinc/09/83/38/711098338.db2.gz LVXWXOBJJALVOA-UWVGGRQHSA-N 0 1 219.275 2.190 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000390555007 711125612 /nfs/dbraw/zinc/12/56/12/711125612.db2.gz HYYFZKACCGLKMX-NSHDSACASA-N 0 1 239.340 2.496 20 0 BEADMN CO[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000393296661 711156237 /nfs/dbraw/zinc/15/62/37/711156237.db2.gz PPQODSDIGQVHID-WRWGMCAJSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1C(=O)[O-] ZINC000394527189 711193490 /nfs/dbraw/zinc/19/34/90/711193490.db2.gz YYBRMMIRWUSVFO-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H](C[N@@H+](C)CCSC(C)(C)C)C(=O)[O-] ZINC000393725896 711171467 /nfs/dbraw/zinc/17/14/67/711171467.db2.gz BBZPMKXDHGWDTA-SECBINFHSA-N 0 1 233.377 2.171 20 0 BEADMN CC(C)C[N@@H+](CCCC1CC1)CC(=O)[O-] ZINC000394677787 711196469 /nfs/dbraw/zinc/19/64/69/711196469.db2.gz WVCVAUMZLSXDBK-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CCCC[C@H]1C ZINC000394793101 711198047 /nfs/dbraw/zinc/19/80/47/711198047.db2.gz OERFNLTXYPNNQC-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ncc(CNCCSC(F)(F)F)o1 ZINC000397958456 711398533 /nfs/dbraw/zinc/39/85/33/711398533.db2.gz TVJLTYVRGYTFRP-UHFFFAOYSA-N 0 1 240.250 2.326 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@@H](C)O2)sc1C ZINC000398129607 711402424 /nfs/dbraw/zinc/40/24/24/711402424.db2.gz DQVLZVZCVPJFKB-LDYMZIIASA-N 0 1 240.372 2.417 20 0 BEADMN Clc1nc2[nH]cnc2c(N2C3CCC2CC3)n1 ZINC000399224154 711424333 /nfs/dbraw/zinc/42/43/33/711424333.db2.gz DFVYDJBDQVNBFM-UHFFFAOYSA-N 0 1 249.705 2.138 20 0 BEADMN CC(C)(C)SCC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000380898148 710592949 /nfs/dbraw/zinc/59/29/49/710592949.db2.gz UDRIRKKFJDWZJP-GFCCVEGCSA-N 0 1 245.388 2.457 20 0 BEADMN COCC[C@H](C)NCc1nc(C(C)(C)C)co1 ZINC000724412496 710741384 /nfs/dbraw/zinc/74/13/84/710741384.db2.gz GYMMBWVOQKDLGJ-JTQLQIEISA-N 0 1 240.347 2.487 20 0 BEADMN Cc1nc(CN[C@@H]2CCc3c2cccc3F)n[nH]1 ZINC000392361766 711144777 /nfs/dbraw/zinc/14/47/77/711144777.db2.gz CALKDTZNLPZGHB-GFCCVEGCSA-N 0 1 246.289 2.029 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccccc2C)n[nH]1 ZINC000392376510 711144913 /nfs/dbraw/zinc/14/49/13/711144913.db2.gz PEEOQBUHBAIXDX-SNVBAGLBSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@H](C)NCc2cccc(C)c2)n[nH]1 ZINC000392381528 711145398 /nfs/dbraw/zinc/14/53/98/711145398.db2.gz SRAFLIWDFNNOGT-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN Cc1nc([C@H](C)NCc2cc(C)ccc2F)n[nH]1 ZINC000392442110 711147065 /nfs/dbraw/zinc/14/70/65/711147065.db2.gz BFJTZIRYJODRGG-VIFPVBQESA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(F)cc2)n[nH]1 ZINC000392474210 711147891 /nfs/dbraw/zinc/14/78/91/711147891.db2.gz VMJQVSITEGJTCQ-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000722620999 711455757 /nfs/dbraw/zinc/45/57/57/711455757.db2.gz NSKBSMGUVBRYKZ-DGCLKSJQSA-N 0 1 233.311 2.229 20 0 BEADMN CCN(CCC(F)(F)F)Cc1cnc[nH]1 ZINC000092753758 711458128 /nfs/dbraw/zinc/45/81/28/711458128.db2.gz WYMRWPIXWOXIGC-UHFFFAOYSA-N 0 1 221.226 2.184 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1CC(=O)[O-] ZINC000722649774 711463161 /nfs/dbraw/zinc/46/31/61/711463161.db2.gz SJLRZZRQTNWOKL-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN CSCCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133899195 711475030 /nfs/dbraw/zinc/47/50/30/711475030.db2.gz QZBXTZUFYNGDNX-UHFFFAOYSA-N 0 1 240.328 2.253 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccc(Cl)nc1 ZINC000723032236 711496464 /nfs/dbraw/zinc/49/64/64/711496464.db2.gz JHXOYCPUNQDJPC-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000723059235 711498549 /nfs/dbraw/zinc/49/85/49/711498549.db2.gz FRGPJJWCCRFBHY-DYEKYZERSA-N 0 1 239.359 2.465 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000723086260 711499128 /nfs/dbraw/zinc/49/91/28/711499128.db2.gz RIEGLKDNVBZNRJ-KKOKHZNYSA-N 0 1 225.332 2.075 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000723103141 711502394 /nfs/dbraw/zinc/50/23/94/711502394.db2.gz ZEYBKGUDDTUCGO-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN CC1(C)CC(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])C1 ZINC000723537587 711515892 /nfs/dbraw/zinc/51/58/92/711515892.db2.gz TVNOTLOHPCWUCY-TUAOUCFPSA-N 0 1 237.343 2.075 20 0 BEADMN Cc1cnc(CNCCC2CC=CC2)o1 ZINC000724210146 711570565 /nfs/dbraw/zinc/57/05/65/711570565.db2.gz OINBVBQSVSJDNJ-UHFFFAOYSA-N 0 1 206.289 2.429 20 0 BEADMN Clc1csc(CNCC2OCCCO2)c1 ZINC000716390421 711573858 /nfs/dbraw/zinc/57/38/58/711573858.db2.gz ACWCKLLMIPIDDM-UHFFFAOYSA-N 0 1 247.747 2.254 20 0 BEADMN C[C@@H]1CCN(Cc2nccn2C2CC2)[C@H]1C ZINC000892214354 711582908 /nfs/dbraw/zinc/58/29/08/711582908.db2.gz HJEFGVPBXNSWTR-MNOVXSKESA-N 0 1 219.332 2.448 20 0 BEADMN c1ncc(CN2CCCOc3ccccc32)[nH]1 ZINC000724774473 711612011 /nfs/dbraw/zinc/61/20/11/711612011.db2.gz JGZGSRTXTKVPOQ-UHFFFAOYSA-N 0 1 229.283 2.199 20 0 BEADMN CC(C)(C)OC(=O)[C@@H]1CCN(C/C=C\Cl)C1 ZINC000255569234 711617911 /nfs/dbraw/zinc/61/79/11/711617911.db2.gz MYEPDCYIXNPABM-AYYIZTPMSA-N 0 1 245.750 2.403 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1cncc(C(=O)[O-])c1 ZINC000721532895 711618279 /nfs/dbraw/zinc/61/82/79/711618279.db2.gz VRPIERFHFCCBNR-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C[C@H]1C ZINC000721544795 711621428 /nfs/dbraw/zinc/62/14/28/711621428.db2.gz DOWPZYJXBUSIAN-GHMZBOCLSA-N 0 1 248.326 2.258 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1CCCC1(F)F ZINC000926524233 711624773 /nfs/dbraw/zinc/62/47/73/711624773.db2.gz MEMGVSGXWHPIRR-CBAPKCEASA-N 0 1 245.273 2.464 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCC1CC1 ZINC000394480553 711688172 /nfs/dbraw/zinc/68/81/72/711688172.db2.gz KZWGWQSWMPWMRZ-AGIUHOORSA-N 0 1 237.343 2.362 20 0 BEADMN CCC[C@@H](C[N@@H+](CC(=O)[O-])C1CCCC1)OC ZINC000395196607 711693178 /nfs/dbraw/zinc/69/31/78/711693178.db2.gz KNEBACWYIGSEJK-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)[N@@H+](CC)CCSC ZINC000930824160 711704525 /nfs/dbraw/zinc/70/45/25/711704525.db2.gz AORCAPXGASSXEQ-WDEREUQCSA-N 0 1 247.404 2.259 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N(CC)CCSC ZINC000930824160 711704527 /nfs/dbraw/zinc/70/45/27/711704527.db2.gz AORCAPXGASSXEQ-WDEREUQCSA-N 0 1 247.404 2.259 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CCNCC1 ZINC000236710127 711714008 /nfs/dbraw/zinc/71/40/08/711714008.db2.gz JVQCXODFHDNPJV-LBPRGKRZSA-N 0 1 226.364 2.025 20 0 BEADMN CCc1nn(C)cc1N[C@@H]1CCCc2[nH]ncc21 ZINC000334321243 711715391 /nfs/dbraw/zinc/71/53/91/711715391.db2.gz WTMBJBWAWYSNHE-LLVKDONJSA-N 0 1 245.330 2.195 20 0 BEADMN CCOC(=O)/C=C/CN1CCC(CCF)CC1 ZINC000931465784 711725577 /nfs/dbraw/zinc/72/55/77/711725577.db2.gz PVEYCDBILWZZAG-ONEGZZNKSA-N 0 1 243.322 2.177 20 0 BEADMN CC(C)CC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000037654560 711754836 /nfs/dbraw/zinc/75/48/36/711754836.db2.gz KPCQBIDIHCJINH-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CCC(C)(C)C)Cc1cc(C(=O)[O-])no1 ZINC000399738498 711759299 /nfs/dbraw/zinc/75/92/99/711759299.db2.gz WCKFAHBZFNSVQG-UHFFFAOYSA-N 0 1 240.303 2.241 20 0 BEADMN C(N[C@@H]1C[C@H]2C[C@H]2C1)c1nnc(C2CC2)s1 ZINC000895029403 711774447 /nfs/dbraw/zinc/77/44/47/711774447.db2.gz AAMSXDNJKSFERT-ILWJIGKKSA-N 0 1 235.356 2.304 20 0 BEADMN CN1CC[C@H]1CNC(=O)CCCC1CCCC1 ZINC000928565342 711779067 /nfs/dbraw/zinc/77/90/67/711779067.db2.gz XMVHNSMEGUPEAD-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CN(C(=O)C=C1CCC1)C1CN(CC2CCC2)C1 ZINC001042598041 711787466 /nfs/dbraw/zinc/78/74/66/711787466.db2.gz DNQRHIMOGOQCPB-UHFFFAOYSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)=CCN1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001038121858 711803368 /nfs/dbraw/zinc/80/33/68/711803368.db2.gz DKNGULCHVSCAMD-AWEZNQCLSA-N 0 1 248.370 2.109 20 0 BEADMN CCCN[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000083810941 711810050 /nfs/dbraw/zinc/81/00/50/711810050.db2.gz JWDBQQDGQFAVDC-DJLDLDEBSA-N 0 1 209.293 2.254 20 0 BEADMN CC[C@@H](c1ccccc1)N1CC(N(C)C(C)=O)C1 ZINC001042390131 711818059 /nfs/dbraw/zinc/81/80/59/711818059.db2.gz PDMASUXEROITFM-HNNXBMFYSA-N 0 1 246.354 2.300 20 0 BEADMN COCCN[C@@H](C)c1cccnc1Cl ZINC000152110052 711853176 /nfs/dbraw/zinc/85/31/76/711853176.db2.gz WUJGPIRQEDGSAQ-QMMMGPOBSA-N 0 1 214.696 2.032 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721270512 711875018 /nfs/dbraw/zinc/87/50/18/711875018.db2.gz AOVSNYWDACDWCU-AXFHLTTASA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)COC(=O)N1CCN(CC(C)C)CC1 ZINC000070830012 711897157 /nfs/dbraw/zinc/89/71/57/711897157.db2.gz HBRGBOFVVMBHRH-UHFFFAOYSA-N 0 1 242.363 2.053 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])CC(C)(C)C ZINC000709072835 711977276 /nfs/dbraw/zinc/97/72/76/711977276.db2.gz CAZQNBBHFSAOKD-UWVGGRQHSA-N 0 1 215.337 2.464 20 0 BEADMN COc1cncc(CNCc2scnc2C)c1 ZINC000700018072 711982434 /nfs/dbraw/zinc/98/24/34/711982434.db2.gz PMRAJJHRVDNUOQ-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701451077 712023269 /nfs/dbraw/zinc/02/32/69/712023269.db2.gz FJWDEKILQBVBIA-GVXVVHGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)n1ncnc1CNC[C@]1(C)CC1(C)C ZINC000702016014 712036382 /nfs/dbraw/zinc/03/63/82/712036382.db2.gz KXWNNYKWOSUHMK-ZDUSSCGKSA-N 0 1 236.363 2.385 20 0 BEADMN CCn1c(CNC2CSC2)nc2ccccc21 ZINC000702031038 712036655 /nfs/dbraw/zinc/03/66/55/712036655.db2.gz SXILFOWXUGGTIA-UHFFFAOYSA-N 0 1 247.367 2.261 20 0 BEADMN CCc1nnc(CN[C@@H](C)CCSC)s1 ZINC000702683593 712059115 /nfs/dbraw/zinc/05/91/15/712059115.db2.gz YBEBRZMUIHTDDB-QMMMGPOBSA-N 0 1 245.417 2.332 20 0 BEADMN CCc1nnc(CNC[C@@H]2C[C@H]2C2CC2)s1 ZINC000702675079 712059943 /nfs/dbraw/zinc/05/99/43/712059943.db2.gz BEWWTLDNPJYHQB-UWVGGRQHSA-N 0 1 237.372 2.236 20 0 BEADMN CN(Cc1cnc(Cl)s1)CC1(C)COC1 ZINC000702981052 712062878 /nfs/dbraw/zinc/06/28/78/712062878.db2.gz NGPJVEVJDOKMMR-UHFFFAOYSA-N 0 1 246.763 2.265 20 0 BEADMN c1cncc(CNCc2cccc3c2OCC3)c1 ZINC000703201735 712067592 /nfs/dbraw/zinc/06/75/92/712067592.db2.gz NMAGXODUGIBRNR-UHFFFAOYSA-N 0 1 240.306 2.306 20 0 BEADMN C/C(=C/C[N@@H+]1CCCC[C@H](C)C1)C(=O)[O-] ZINC000703659009 712082570 /nfs/dbraw/zinc/08/25/70/712082570.db2.gz OJLBHJYLIZHOBX-OYUORYAFSA-N 0 1 211.305 2.139 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000704717912 712114261 /nfs/dbraw/zinc/11/42/61/712114261.db2.gz JXFLREMZXDTBMI-LLVKDONJSA-N 0 1 249.301 2.464 20 0 BEADMN CCC(CC)(CNCc1nnc(C)s1)OC ZINC000704748691 712114648 /nfs/dbraw/zinc/11/46/48/712114648.db2.gz RCKDYSGDQOIUKC-UHFFFAOYSA-N 0 1 243.376 2.141 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000704749291 712114978 /nfs/dbraw/zinc/11/49/78/712114978.db2.gz SPOMMAYDGNOTCX-ZSBIGDGJSA-N 0 1 225.332 2.075 20 0 BEADMN Cc1ncccc1CN[C@H]1CCCc2n[nH]cc21 ZINC000705529879 712132720 /nfs/dbraw/zinc/13/27/20/712132720.db2.gz HYWAHXNOYCWDLS-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1[nH+]c(N2[C@H](C)CC[C@@H]2C)ccc1C(=O)[O-] ZINC000706229679 712142749 /nfs/dbraw/zinc/14/27/49/712142749.db2.gz BKRCGSZMHPGVJJ-DTORHVGOSA-N 0 1 234.299 2.465 20 0 BEADMN CCc1nnc(CNC2CC(SC)C2)s1 ZINC000706875042 712157609 /nfs/dbraw/zinc/15/76/09/712157609.db2.gz AEDNFBCEKHMBAZ-UHFFFAOYSA-N 0 1 243.401 2.084 20 0 BEADMN CSC1CC(NCc2ccn(C(C)C)n2)C1 ZINC000708266587 712184658 /nfs/dbraw/zinc/18/46/58/712184658.db2.gz STVBVMRCXGKZBE-UHFFFAOYSA-N 0 1 239.388 2.448 20 0 BEADMN Cc1nc(CN[C@H](C)Cc2ccco2)[nH]c1C ZINC000708962554 712203943 /nfs/dbraw/zinc/20/39/43/712203943.db2.gz XHYDVPBHDYPDLR-SECBINFHSA-N 0 1 233.315 2.340 20 0 BEADMN C[C@]1(C(F)(F)F)CC[N@@H+](CCCC(=O)[O-])C1 ZINC000709063307 712207171 /nfs/dbraw/zinc/20/71/71/712207171.db2.gz QZKBIVUKZQRERH-VIFPVBQESA-N 0 1 239.237 2.126 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])CC(C)(C)C ZINC000709072843 712207734 /nfs/dbraw/zinc/20/77/34/712207734.db2.gz CAZQNBBHFSAOKD-ZJUUUORDSA-N 0 1 215.337 2.464 20 0 BEADMN CC1(C)C[C@@H](CNCc2cocn2)C(C)(C)O1 ZINC000709662101 712214641 /nfs/dbraw/zinc/21/46/41/712214641.db2.gz HPTLLNSBEKHNFX-JTQLQIEISA-N 0 1 238.331 2.358 20 0 BEADMN C[C@@H](NCCc1ccns1)c1cscn1 ZINC000709774475 712222280 /nfs/dbraw/zinc/22/22/80/712222280.db2.gz BTRUBZVCYJWUSW-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN C[C@@H]1C[C@H](NCCc2ccns2)c2nccn21 ZINC000709897565 712231554 /nfs/dbraw/zinc/23/15/54/712231554.db2.gz WVVBFZOBRWJSMW-KOLCDFICSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1cn(C)cn1 ZINC000709910552 712231699 /nfs/dbraw/zinc/23/16/99/712231699.db2.gz HWWDDEFTQSGIGB-GRYCIOLGSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@H](C)c1cn(C)cn1)OC ZINC000710005770 712239314 /nfs/dbraw/zinc/23/93/14/712239314.db2.gz JLRMOXIOCSIKSD-DMDPSCGWSA-N 0 1 239.363 2.132 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@@]1(C)C(=O)[O-] ZINC000710134875 712245539 /nfs/dbraw/zinc/24/55/39/712245539.db2.gz HDHJBOGSGGEYAL-YRGRVCCFSA-N 0 1 237.343 2.385 20 0 BEADMN CCNCc1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000710832588 712258084 /nfs/dbraw/zinc/25/80/84/712258084.db2.gz XHDZTXSDPYHHFD-JTQLQIEISA-N 0 1 224.352 2.070 20 0 BEADMN c1cnc(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)nc1 ZINC000711066637 712277942 /nfs/dbraw/zinc/27/79/42/712277942.db2.gz FHZBVJILWPGHKJ-GDNZZTSVSA-N 0 1 217.316 2.145 20 0 BEADMN C[C@@H](Cn1cc(CNC2CC2)nn1)C(C)(C)C ZINC000711132344 712285803 /nfs/dbraw/zinc/28/58/03/712285803.db2.gz FOMXJMGLUBXHTC-JTQLQIEISA-N 0 1 236.363 2.212 20 0 BEADMN CN[C@H](C)c1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000711136523 712286545 /nfs/dbraw/zinc/28/65/45/712286545.db2.gz JQUVFHFUHMBUGF-VHSXEESVSA-N 0 1 224.352 2.241 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2CCC(C)(C)CO2)n1 ZINC000711279874 712292631 /nfs/dbraw/zinc/29/26/31/712292631.db2.gz ZCSDHJPGOBSMGC-NSHDSACASA-N 0 1 237.347 2.013 20 0 BEADMN CC1(C)CC[C@@H](CNCc2nccs2)OC1 ZINC000711389411 712296647 /nfs/dbraw/zinc/29/66/47/712296647.db2.gz IYDAGXHEXPUDQC-JTQLQIEISA-N 0 1 240.372 2.438 20 0 BEADMN CC1(C)CC[C@H](CNCc2cscn2)OC1 ZINC000711393201 712297291 /nfs/dbraw/zinc/29/72/91/712297291.db2.gz WGBMRXHFGQJIIY-LLVKDONJSA-N 0 1 240.372 2.438 20 0 BEADMN C[N@H+](Cc1cc(C(=O)[O-])cs1)CC1CC1 ZINC000711405711 712297861 /nfs/dbraw/zinc/29/78/61/712297861.db2.gz DDSZRTYFJMOOJF-UHFFFAOYSA-N 0 1 225.313 2.288 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC[C@H](CF)C1 ZINC000711449610 712302590 /nfs/dbraw/zinc/30/25/90/712302590.db2.gz GXZSGAATEPCUQK-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000711473314 712303223 /nfs/dbraw/zinc/30/32/23/712303223.db2.gz DLGCCIFQOAGFLI-GHMZBOCLSA-N 0 1 231.311 2.167 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000711493097 712306289 /nfs/dbraw/zinc/30/62/89/712306289.db2.gz WDMHSVMPNPWLBM-LLVKDONJSA-N 0 1 237.274 2.176 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@H](CF)C2)cs1 ZINC000711501970 712307547 /nfs/dbraw/zinc/30/75/47/712307547.db2.gz IKVZOPCICGTVJP-MRVPVSSYSA-N 0 1 243.303 2.238 20 0 BEADMN CC(C)CC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711661499 712314564 /nfs/dbraw/zinc/31/45/64/712314564.db2.gz DNGFEMKVDLQSNL-WCQYABFASA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1SCC[C@@H]1NCc1nccn1C1CC1 ZINC000711745968 712323353 /nfs/dbraw/zinc/32/33/53/712323353.db2.gz KZPKIUGCIXZFQU-KOLCDFICSA-N 0 1 237.372 2.202 20 0 BEADMN C[C@@H]1CCC[C@H](CNCc2nccn2C2CC2)O1 ZINC000711758118 712325613 /nfs/dbraw/zinc/32/56/13/712325613.db2.gz VHNFDQSRQFCALT-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN O=C(NC[C@H]1C=CCC1)c1n[nH]c2ccccc21 ZINC000711744288 712325843 /nfs/dbraw/zinc/32/58/43/712325843.db2.gz QQPSCLVTCMTBTB-JTQLQIEISA-N 0 1 241.294 2.259 20 0 BEADMN C[C@H](F)CCNCc1nccn1C1CC1 ZINC000711782397 712329392 /nfs/dbraw/zinc/32/93/92/712329392.db2.gz DNLZWWBPIVWAJV-VIFPVBQESA-N 0 1 211.284 2.056 20 0 BEADMN CC(F)(F)CN[C@H](C1CCC1)[C@H]1CCOC1 ZINC000711922541 712339136 /nfs/dbraw/zinc/33/91/36/712339136.db2.gz BBKKVRRQJPZCNY-WDEREUQCSA-N 0 1 233.302 2.436 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H]1CCn2ccnc21 ZINC000379034206 712367779 /nfs/dbraw/zinc/36/77/79/712367779.db2.gz YOWAFFKQKLRGSE-PWSUYJOCSA-N 0 1 231.299 2.142 20 0 BEADMN CC(C)[C@](C)(CO)NC/C(Cl)=C/Cl ZINC000379417286 712384376 /nfs/dbraw/zinc/38/43/76/712384376.db2.gz UHYAOUCPYZEMQU-OTOXVQDCSA-N 0 1 226.147 2.302 20 0 BEADMN CC[C@@]1(C)CCN(Cn2cc[nH]c2=S)C1 ZINC000758399780 712408604 /nfs/dbraw/zinc/40/86/04/712408604.db2.gz ZELMGDWVUFBXSP-NSHDSACASA-N 0 1 225.361 2.251 20 0 BEADMN Cn1ncc(CNCC2=CCCC2)c1Cl ZINC000712444312 712430668 /nfs/dbraw/zinc/43/06/68/712430668.db2.gz RTFUBLPXSAJHKU-UHFFFAOYSA-N 0 1 225.723 2.273 20 0 BEADMN CN1CC[C@@H]1CNc1cc(C(C)(C)C)ccn1 ZINC000712592542 712435462 /nfs/dbraw/zinc/43/54/62/712435462.db2.gz TYWOXYDDZYAUOC-GFCCVEGCSA-N 0 1 233.359 2.495 20 0 BEADMN CN1CC[C@H]1CNc1ccnc(C(F)(F)F)c1 ZINC000712612801 712438121 /nfs/dbraw/zinc/43/81/21/712438121.db2.gz CVIYZMMPARVBMK-VIFPVBQESA-N 0 1 245.248 2.216 20 0 BEADMN Cc1nnc(CNCC[C@@H]2C[C@H]2C2CC2)s1 ZINC000712689290 712440306 /nfs/dbraw/zinc/44/03/06/712440306.db2.gz DBNOUHQGZMEWLJ-MNOVXSKESA-N 0 1 237.372 2.372 20 0 BEADMN Cc1nc2ccccc2nc1NC[C@H]1CCN1C ZINC000712534586 712442184 /nfs/dbraw/zinc/44/21/84/712442184.db2.gz JJJXDDRUWUIQSV-LLVKDONJSA-N 0 1 242.326 2.054 20 0 BEADMN CCN1CC[C@H]1CNc1ncc(Cl)cc1F ZINC000712569283 712447010 /nfs/dbraw/zinc/44/70/10/712447010.db2.gz JVZVGKFBZCSRBJ-VIFPVBQESA-N 0 1 243.713 2.380 20 0 BEADMN CC1(C)OCC[C@H]1NCc1scnc1Cl ZINC000713493309 712462524 /nfs/dbraw/zinc/46/25/24/712462524.db2.gz DAPBFRVZSLIQDJ-MRVPVSSYSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C\CCNCc1cn(C(C)(C)C)nn1 ZINC000713496116 712463142 /nfs/dbraw/zinc/46/31/42/712463142.db2.gz OAMJDMTUOISGAK-SREVYHEPSA-N 0 1 234.347 2.255 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000713702505 712469214 /nfs/dbraw/zinc/46/92/14/712469214.db2.gz NRFCXVQDWJFELP-BYCRGOAPSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000713711099 712469907 /nfs/dbraw/zinc/46/99/07/712469907.db2.gz LFJXXFMDGYWLMJ-JYYSYOFASA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C\CC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000713711138 712470198 /nfs/dbraw/zinc/47/01/98/712470198.db2.gz PCOFIWYCYXXFPD-KBIXYVOKSA-N 0 1 223.316 2.304 20 0 BEADMN CC[C@H](Sc1nc(C2CC2)n[nH]1)C(C)=O ZINC000714115232 712478240 /nfs/dbraw/zinc/47/82/40/712478240.db2.gz IUEVZBRRZPLCIV-QMMMGPOBSA-N 0 1 225.317 2.142 20 0 BEADMN CC[C@H](Sc1n[nH]c(C2CC2)n1)C(C)=O ZINC000714115232 712478241 /nfs/dbraw/zinc/47/82/41/712478241.db2.gz IUEVZBRRZPLCIV-QMMMGPOBSA-N 0 1 225.317 2.142 20 0 BEADMN Cc1ccc(CNC[C@@H]2CCCC(C)(C)O2)nn1 ZINC000714368035 712483712 /nfs/dbraw/zinc/48/37/12/712483712.db2.gz ANGXWNBSQCFSNN-ZDUSSCGKSA-N 0 1 249.358 2.222 20 0 BEADMN Cc1ncc(CNC[C@H]2CCCC(C)(C)O2)o1 ZINC000714373461 712484580 /nfs/dbraw/zinc/48/45/80/712484580.db2.gz DCVFKQAZLVGMFG-LLVKDONJSA-N 0 1 238.331 2.420 20 0 BEADMN CCCn1cc(CN[C@H]2CC23CCCC3)nn1 ZINC000714436154 712486769 /nfs/dbraw/zinc/48/67/69/712486769.db2.gz IQSBRIBTFLFQPG-LBPRGKRZSA-N 0 1 234.347 2.110 20 0 BEADMN CCCn1cc(CNC2(C3(C)CC3)CC2)nn1 ZINC000714485125 712491727 /nfs/dbraw/zinc/49/17/27/712491727.db2.gz BCNIZXKZWMAJHT-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN C[N@@H+](CCCF)Cc1ccccc1CC(=O)[O-] ZINC000714955419 712503668 /nfs/dbraw/zinc/50/36/68/712503668.db2.gz QRQUIHJEEMDXPI-UHFFFAOYSA-N 0 1 239.290 2.105 20 0 BEADMN c1nc(CNCC[C@@H]2CCCS2)co1 ZINC000715627879 712528229 /nfs/dbraw/zinc/52/82/29/712528229.db2.gz YPQLNQDORIYVJC-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN CCCn1cc([C@H](C)NCC2=CCCC2)nn1 ZINC000715858388 712537534 /nfs/dbraw/zinc/53/75/34/712537534.db2.gz GCIYLUWSWUJMLM-NSHDSACASA-N 0 1 234.347 2.449 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccco1)c1ccns1 ZINC000715993728 712551217 /nfs/dbraw/zinc/55/12/17/712551217.db2.gz WKTAXTXSAIKSQX-DTWKUNHWSA-N 0 1 238.312 2.120 20 0 BEADMN CC(C)(O)C1CCN(C/C=C\Cl)CC1 ZINC000716393506 712558215 /nfs/dbraw/zinc/55/82/15/712558215.db2.gz JKIGOXJUJNIZRO-UTCJRWHESA-N 0 1 217.740 2.222 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000037256168 712560754 /nfs/dbraw/zinc/56/07/54/712560754.db2.gz SFVDVPCDMFOWPN-FPMFFAJLSA-N 0 1 246.354 2.381 20 0 BEADMN Cc1[nH]nc(CN[C@@H]2C[C@H](C)n3ccnc32)c1C ZINC000716465293 712562917 /nfs/dbraw/zinc/56/29/17/712562917.db2.gz LDNKAABLYZGDQV-GZMMTYOYSA-N 0 1 245.330 2.019 20 0 BEADMN Cc1ccoc1CNCc1n[nH]c(C)c1C ZINC000716491883 712566104 /nfs/dbraw/zinc/56/61/04/712566104.db2.gz TWEWPYVUQCTCTL-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000716613819 712567494 /nfs/dbraw/zinc/56/74/94/712567494.db2.gz OBSGECBQHFKMDI-IMSYWVGJSA-N 0 1 243.314 2.009 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)o1 ZINC000716655648 712569051 /nfs/dbraw/zinc/56/90/51/712569051.db2.gz CNQDJLCTBPIHSK-IXLVHKGHSA-N 0 1 220.316 2.365 20 0 BEADMN CC1=C(C)CN(CN2C[C@H]3CCC[C@@H]3C2=O)CC1 ZINC000840060144 712582797 /nfs/dbraw/zinc/58/27/97/712582797.db2.gz LKADYVNUBGKFGW-KGLIPLIRSA-N 0 1 248.370 2.245 20 0 BEADMN CC1=C(C)CN(CN2C[C@@H]3CCC[C@@H]3C2=O)CC1 ZINC000840060142 712582818 /nfs/dbraw/zinc/58/28/18/712582818.db2.gz LKADYVNUBGKFGW-KBPBESRZSA-N 0 1 248.370 2.245 20 0 BEADMN CC1=C(C)CN(CN2C[C@@H]3CCC[C@H]3C2=O)CC1 ZINC000840060146 712582826 /nfs/dbraw/zinc/58/28/26/712582826.db2.gz LKADYVNUBGKFGW-UONOGXRCSA-N 0 1 248.370 2.245 20 0 BEADMN C[S@](=O)CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535382 712633668 /nfs/dbraw/zinc/63/36/68/712633668.db2.gz BMCKKBOAIYXGKF-YLVFBTJISA-N 0 1 249.379 2.299 20 0 BEADMN C[S@](=O)CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535382 712633670 /nfs/dbraw/zinc/63/36/70/712633670.db2.gz BMCKKBOAIYXGKF-YLVFBTJISA-N 0 1 249.379 2.299 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)o1 ZINC000037474761 712647783 /nfs/dbraw/zinc/64/77/83/712647783.db2.gz GZJJCYBAWQLMIV-SECBINFHSA-N 0 1 225.288 2.273 20 0 BEADMN CC1(C)CO[C@H](CNCc2cscn2)C1 ZINC000717395969 712654202 /nfs/dbraw/zinc/65/42/02/712654202.db2.gz OJDARGWVGSXLIB-JTQLQIEISA-N 0 1 226.345 2.048 20 0 BEADMN OC[C@@H](NC/C(Cl)=C\Cl)C1CCC1 ZINC000717615386 712662215 /nfs/dbraw/zinc/66/22/15/712662215.db2.gz SOKADVAFCYMORN-VGANXODHSA-N 0 1 224.131 2.056 20 0 BEADMN O=C([O-])CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000037593478 712666934 /nfs/dbraw/zinc/66/69/34/712666934.db2.gz VWKGBJUFPNJMTE-UHFFFAOYSA-N 0 1 233.311 2.168 20 0 BEADMN C(NC1(C2CC2)CCC1)c1nnc(C2CC2)o1 ZINC000717842764 712692338 /nfs/dbraw/zinc/69/23/38/712692338.db2.gz ILZZXTJRZLUOJZ-UHFFFAOYSA-N 0 1 233.315 2.369 20 0 BEADMN COC[C@@H](CN1CCn2cccc2C1)C(C)C ZINC000932524018 712717574 /nfs/dbraw/zinc/71/75/74/712717574.db2.gz CFWLFBUCFAAWFU-CYBMUJFWSA-N 0 1 236.359 2.222 20 0 BEADMN Cc1coc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000718056444 712740236 /nfs/dbraw/zinc/74/02/36/712740236.db2.gz AMSGGQNHTISHFF-SNVBAGLBSA-N 0 1 231.242 2.102 20 0 BEADMN Cc1cccc(CN[C@]23C[C@H]2COC3)c1F ZINC000718079094 712741565 /nfs/dbraw/zinc/74/15/65/712741565.db2.gz NWBGOMAAGUVGSZ-AAEUAGOBSA-N 0 1 221.275 2.013 20 0 BEADMN Cc1ccc(CN[C@]23C[C@H]2COC3)c(F)c1 ZINC000718090481 712742201 /nfs/dbraw/zinc/74/22/01/712742201.db2.gz BLEJGDSFAUBLAE-AAEUAGOBSA-N 0 1 221.275 2.013 20 0 BEADMN CCCCOCCNCc1cc(C)co1 ZINC000718115438 712743860 /nfs/dbraw/zinc/74/38/60/712743860.db2.gz RIQJUTUIDHADTN-UHFFFAOYSA-N 0 1 211.305 2.494 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2cnc(Cl)s2)CO1 ZINC000718185788 712752278 /nfs/dbraw/zinc/75/22/78/712752278.db2.gz HNAFSXBLOMXTGP-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC(C)(F)F ZINC000718611945 712773268 /nfs/dbraw/zinc/77/32/68/712773268.db2.gz CMIZTTQFIQGEBR-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN O[C@H](CNCc1ccccc1F)c1ccco1 ZINC000037862867 712775994 /nfs/dbraw/zinc/77/59/94/712775994.db2.gz PPHOSRNQDMYGJM-GFCCVEGCSA-N 0 1 235.258 2.242 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@@H]1CCC=CCCC1 ZINC000719020004 712793496 /nfs/dbraw/zinc/79/34/96/712793496.db2.gz NWYSRBGPWVWWSA-LLVKDONJSA-N 0 1 233.315 2.162 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCC=CCCC1)c1nnc[nH]1 ZINC000719031591 712794048 /nfs/dbraw/zinc/79/40/48/712794048.db2.gz SDMGNWUEYQIZHQ-WDEREUQCSA-N 0 1 248.330 2.118 20 0 BEADMN CC(C)c1nsc(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC000719572531 712810871 /nfs/dbraw/zinc/81/08/71/712810871.db2.gz VMHXZIZKCCJQQU-BDAKNGLRSA-N 0 1 240.376 2.166 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nccn1C1CC1 ZINC000720138402 712827570 /nfs/dbraw/zinc/82/75/70/712827570.db2.gz IMRZRXBSGGTRCT-SNVBAGLBSA-N 0 1 237.347 2.121 20 0 BEADMN c1cc(CNC[C@]23C[C@H]2CCCC3)no1 ZINC000720399070 712838472 /nfs/dbraw/zinc/83/84/72/712838472.db2.gz WOHDWYXZNJHVIZ-PWSUYJOCSA-N 0 1 206.289 2.345 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCCS2)no1 ZINC000720414670 712840866 /nfs/dbraw/zinc/84/08/66/712840866.db2.gz YIUDQVVXADLYMB-NSHDSACASA-N 0 1 226.345 2.358 20 0 BEADMN C[C@H]1CCN(Cc2ccc(O)c(F)c2)CCO1 ZINC000720485943 712846661 /nfs/dbraw/zinc/84/66/61/712846661.db2.gz XZUMWAHRPZAEHZ-JTQLQIEISA-N 0 1 239.290 2.142 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H](C)[C@@H]2CCCO2)n1 ZINC000720612271 712859310 /nfs/dbraw/zinc/85/93/10/712859310.db2.gz ANCXMARMJYCRND-UTLUCORTSA-N 0 1 239.319 2.008 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)on1 ZINC000720831533 712869336 /nfs/dbraw/zinc/86/93/36/712869336.db2.gz GJOHPBOWAWWECT-GMXVVIOVSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1nnc(CNCC2(C)CC(F)(F)C2)s1 ZINC000720940920 712881114 /nfs/dbraw/zinc/88/11/14/712881114.db2.gz LTUAXVAOYRSTJP-UHFFFAOYSA-N 0 1 247.314 2.372 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1n[nH]c2ccccc21 ZINC000721188903 712896509 /nfs/dbraw/zinc/89/65/09/712896509.db2.gz OVKPVAGOXBHGLE-NSHDSACASA-N 0 1 241.294 2.235 20 0 BEADMN CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1C ZINC001037986243 712896734 /nfs/dbraw/zinc/89/67/34/712896734.db2.gz LJKYXFHKHRKLTN-HNNXBMFYSA-N 0 1 246.354 2.014 20 0 BEADMN CC(=O)NC[C@@H]1CCN1Cc1cc(C)ccc1C ZINC001037986243 712896735 /nfs/dbraw/zinc/89/67/35/712896735.db2.gz LJKYXFHKHRKLTN-HNNXBMFYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cnc(N2C[C@H](C)N(C)C[C@H]2C)c(F)c1 ZINC001164632148 719152371 /nfs/dbraw/zinc/15/23/71/719152371.db2.gz PPJOVYRKJBDSAP-WDEREUQCSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1cncnc1N1C[C@H](C)N(C)C[C@H]1C ZINC001164635944 719197705 /nfs/dbraw/zinc/19/77/05/719197705.db2.gz MCQFUMOWZTWIIW-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1nccc(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC000351509400 719206631 /nfs/dbraw/zinc/20/66/31/719206631.db2.gz LNDMLTPEKMRRPU-NWDGAFQWSA-N 0 1 248.374 2.129 20 0 BEADMN CCCCN(CC(=O)OCC)C[C@@H]1C[C@@H]1C ZINC001209432397 957462234 /nfs/dbraw/zinc/46/22/34/957462234.db2.gz QGUWXKKDKZGPRM-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CCCC(=O)NC[C@H]1CCCN1C/C=C/Cl ZINC001266443527 957560105 /nfs/dbraw/zinc/56/01/05/957560105.db2.gz PCUPRIDDTVOSIX-TZOMUSMUSA-N 0 1 244.766 2.120 20 0 BEADMN Cc1conc1Nc1cnc(N)cc1C ZINC001209961145 957582564 /nfs/dbraw/zinc/58/25/64/957582564.db2.gz DBYZFCSTXFNBNW-UHFFFAOYSA-N 0 1 204.233 2.012 20 0 BEADMN C/C(=C\C(=O)[O-])Cn1cc[nH+]c1C(C)C ZINC000082604189 957794931 /nfs/dbraw/zinc/79/49/31/957794931.db2.gz RYCZVQKDDXBONU-RMKNXTFCSA-N 0 1 208.261 2.037 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612285 957905263 /nfs/dbraw/zinc/90/52/63/957905263.db2.gz DPRXKDYEAOEIRF-AXFHLTTASA-N 0 1 245.388 2.313 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccsc1 ZINC000086258575 957965258 /nfs/dbraw/zinc/96/52/58/957965258.db2.gz UQFQWVMADCIKJA-WPRPVWTQSA-N 0 1 225.313 2.043 20 0 BEADMN Nc1cncn1-c1c(Cl)ccnc1Cl ZINC001216300858 958812358 /nfs/dbraw/zinc/81/23/58/958812358.db2.gz TYLSXEXJGOFIPL-UHFFFAOYSA-N 0 1 229.070 2.156 20 0 BEADMN CCCC(=O)NC[C@H]1CCCN1C[C@@H](F)CC ZINC001267259955 959320245 /nfs/dbraw/zinc/32/02/45/959320245.db2.gz UBSUCVVVVMALCG-NWDGAFQWSA-N 0 1 244.354 2.115 20 0 BEADMN CCC[N@H+](C/C(C)=C\C(=O)[O-])CC1CC1 ZINC000215630110 959756921 /nfs/dbraw/zinc/75/69/21/959756921.db2.gz ANLNMPYNAANJCN-YFHOEESVSA-N 0 1 211.305 2.139 20 0 BEADMN CC(C)OC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000708827973 959858802 /nfs/dbraw/zinc/85/88/02/959858802.db2.gz VWXMISISUSVADF-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)C[C@H](C)Nc1cc(C)cc(C)n1 ZINC000309466394 959878749 /nfs/dbraw/zinc/87/87/49/959878749.db2.gz PMJFCZFMNDONRU-JTQLQIEISA-N 0 1 222.288 2.062 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC23CC3)o1 ZINC001140941947 960734965 /nfs/dbraw/zinc/73/49/65/960734965.db2.gz BLPSOFNAYJJJIV-UHFFFAOYSA-N 0 1 221.256 2.106 20 0 BEADMN CCCCN(CC)Cc1cn2c(n1)COCC2 ZINC001141525391 961091848 /nfs/dbraw/zinc/09/18/48/961091848.db2.gz LHEOKYHIDWZVCA-UHFFFAOYSA-N 0 1 237.347 2.035 20 0 BEADMN CCCCN1CC(NC(=O)CC(C)=C(C)C)C1 ZINC001481576809 961215325 /nfs/dbraw/zinc/21/53/25/961215325.db2.gz HXZPUWZIAUFOQY-UHFFFAOYSA-N 0 1 238.375 2.333 20 0 BEADMN CCC=C(C)C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001142665325 961570396 /nfs/dbraw/zinc/57/03/96/961570396.db2.gz IFSMQKDSQXRTJE-GQCTYLIASA-N 0 1 241.678 2.130 20 0 BEADMN CC(C)CCN1CC(NC(=O)CC2(C)CC2)C1 ZINC001268344085 961632944 /nfs/dbraw/zinc/63/29/44/961632944.db2.gz XGMAOQPWEMAKFN-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CC[C@@H](CC)C1 ZINC000092930818 962040179 /nfs/dbraw/zinc/04/01/79/962040179.db2.gz ZMUMVDHJQLHFTL-NEPJUHHUSA-N 0 1 227.348 2.450 20 0 BEADMN C[N@@H+](C[C@@H]1CCC(F)(F)C1)C(C)(C)C(=O)[O-] ZINC000300868689 963038797 /nfs/dbraw/zinc/03/87/97/963038797.db2.gz LOCOGHNVNPNEIQ-MRVPVSSYSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(=O)N[C@H]1CCN(C[C@@H](F)CC)[C@@H]1CC ZINC001087479853 963094038 /nfs/dbraw/zinc/09/40/38/963094038.db2.gz KSOQIHONSNXQST-SDDRHHMPSA-N 0 1 244.354 2.114 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCO[C@H](CC)C1 ZINC000304158318 963116305 /nfs/dbraw/zinc/11/63/05/963116305.db2.gz KLLNZINATKAWBM-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccsc1CN1CCC(F)(F)[C@H](N)C1 ZINC001206658410 963159858 /nfs/dbraw/zinc/15/98/58/963159858.db2.gz XPZJPGBPPWERED-SNVBAGLBSA-N 0 1 246.326 2.225 20 0 BEADMN C[C@@H]1CN(CCc2cccs2)C[C@@H](C)C1=O ZINC000696594751 963271299 /nfs/dbraw/zinc/27/12/99/963271299.db2.gz MXJRMHYQTNJYPS-GHMZBOCLSA-N 0 1 237.368 2.448 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CCCCF ZINC000308775884 963303729 /nfs/dbraw/zinc/30/37/29/963303729.db2.gz AGSWDQSARMADPB-JTQLQIEISA-N 0 1 217.284 2.065 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC2CCC1CC2 ZINC000308943788 963318177 /nfs/dbraw/zinc/31/81/77/963318177.db2.gz VOENXNUSRIWMCB-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN C/C(=C\C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000309085565 963322429 /nfs/dbraw/zinc/32/24/29/963322429.db2.gz GGWZDPUGNNELOQ-BXCMQSIVSA-N 0 1 225.332 2.384 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1occc1C)C(=O)[O-] ZINC000309360303 963343244 /nfs/dbraw/zinc/34/32/44/963343244.db2.gz OOBHRHKNYSBTRD-ONNFQVAWSA-N 0 1 223.272 2.051 20 0 BEADMN CCCNc1ncnc2[nH]c(C(C)C)nc21 ZINC001168131143 963815822 /nfs/dbraw/zinc/81/58/22/963815822.db2.gz ZOWXEXJSGPGUDQ-UHFFFAOYSA-N 0 1 219.292 2.298 20 0 BEADMN Cc1cnc(N[C@H]2CCC[C@@H](O)C2)cc1C ZINC001158371790 963858075 /nfs/dbraw/zinc/85/80/75/963858075.db2.gz ABGONKVCAPOYME-NWDGAFQWSA-N 0 1 220.316 2.414 20 0 BEADMN Nc1cncn1-c1cccc(OC(F)F)c1 ZINC001212056184 964175022 /nfs/dbraw/zinc/17/50/22/964175022.db2.gz NAGTVLSDTQEKTI-UHFFFAOYSA-N 0 1 225.198 2.056 20 0 BEADMN COC(=O)C[C@H](C)Nc1cc(C)c(C)cn1 ZINC001160531966 964328903 /nfs/dbraw/zinc/32/89/03/964328903.db2.gz IZHZNAYTCNAEHQ-JTQLQIEISA-N 0 1 222.288 2.062 20 0 BEADMN C[C@H](OC[C@@H]1CCC[N@H+]1C)C1=CC=C[CH]1 ZINC001224817304 964988432 /nfs/dbraw/zinc/98/84/32/964988432.db2.gz MFDQAVKIYMMPTI-AAEUAGOBSA-N 0 1 206.309 2.186 20 0 BEADMN c1cc(CN2CC[C@@H]3OCCC[C@H]3C2)sn1 ZINC001232189170 965311919 /nfs/dbraw/zinc/31/19/19/965311919.db2.gz DMAMRYDBTHBCET-JQWIXIFHSA-N 0 1 238.356 2.144 20 0 BEADMN CCCN(CCOC)c1cc(OCC)ccn1 ZINC001163647273 965492562 /nfs/dbraw/zinc/49/25/62/965492562.db2.gz LWTBCYAKYDUJDT-UHFFFAOYSA-N 0 1 238.331 2.343 20 0 BEADMN COc1ccccc1SCc1nnc[nH]1 ZINC001165592786 966133743 /nfs/dbraw/zinc/13/37/43/966133743.db2.gz GIWSWEBLQQEKST-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN Cc1cccc([C@@H](O)CN[C@H](C)c2ncc[nH]2)c1 ZINC000285909331 1165742476 /nfs/dbraw/zinc/74/24/76/1165742476.db2.gz BUAIFPRXGBEJKG-YPMHNXCESA-N 0 1 245.326 2.102 20 0 BEADMN C[C@@H](CCN1C[C@@H](O)[C@@H](F)C1)CC(C)(C)C ZINC001208656969 1165762697 /nfs/dbraw/zinc/76/26/97/1165762697.db2.gz ZMZKWXMQLOSPOH-SDDRHHMPSA-N 0 1 231.355 2.463 20 0 BEADMN C/C=C(/C)C(=O)NC[C@H](C)N(C)C[C@@H](F)CC ZINC001485290068 966580095 /nfs/dbraw/zinc/58/00/95/966580095.db2.gz RLGIUVQAACNOKB-AUSWNFFYSA-N 0 1 244.354 2.137 20 0 BEADMN CO[C@H](C)C1CN(Cc2ccccc2F)C1 ZINC001203357569 966613175 /nfs/dbraw/zinc/61/31/75/966613175.db2.gz QFWPRDXNIPTIGM-SNVBAGLBSA-N 0 1 223.291 2.292 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CO3)c(C)c1 ZINC001203736863 966761019 /nfs/dbraw/zinc/76/10/19/966761019.db2.gz YKOMUZBLWGCMCF-KBPBESRZSA-N 0 1 217.312 2.277 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2ncc[nH]2)CC1 ZINC001203979849 966838769 /nfs/dbraw/zinc/83/87/69/966838769.db2.gz FWKFSMHFYZHBRK-XYPYZODXSA-N 0 1 207.321 2.420 20 0 BEADMN c1nnc(CN[C@@H](c2ccccc2)C2CC2)[nH]1 ZINC000041075750 1165806590 /nfs/dbraw/zinc/80/65/90/1165806590.db2.gz GOMAYVCRXOIBAZ-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN COc1cc(C)c(-n2cncc2N)c(C)c1 ZINC001250034521 967286563 /nfs/dbraw/zinc/28/65/63/967286563.db2.gz SOLHBPOQMSZDRC-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN C[C@H](COc1cccc(F)c1)NCc1cc[nH]n1 ZINC001648897837 1165883786 /nfs/dbraw/zinc/88/37/86/1165883786.db2.gz CLLNICHBGFKENF-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN CCC(=O)c1ccccc1O[C@H]1CCN(C)C1 ZINC000304626543 1165885284 /nfs/dbraw/zinc/88/52/84/1165885284.db2.gz YRVAONVXYUQRGY-NSHDSACASA-N 0 1 233.311 2.362 20 0 BEADMN Cc1nnc(SCCC(F)(F)F)[nH]1 ZINC000072263987 1165887918 /nfs/dbraw/zinc/88/79/18/1165887918.db2.gz IHFGVFZLDVKAGP-UHFFFAOYSA-N 0 1 211.212 2.158 20 0 BEADMN CO[C@@H](CN1CC(C)(OC)C1)C1CCCCC1 ZINC001205706238 967799013 /nfs/dbraw/zinc/79/90/13/967799013.db2.gz BOQGJFMQHZBMKS-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN Oc1ccc(-c2ncccn2)c(F)c1F ZINC001250445192 967871847 /nfs/dbraw/zinc/87/18/47/967871847.db2.gz KTOHSVJTKXHGEM-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Oc1cc(-c2ncccn2)c(F)c(F)c1F ZINC001250449254 967876303 /nfs/dbraw/zinc/87/63/03/967876303.db2.gz WQIODODULFKYJP-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000309128471 967935309 /nfs/dbraw/zinc/93/53/09/967935309.db2.gz BTDINUOPDMUZCQ-GRYCIOLGSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1cccc2nc(CCCCO)[nH]c21 ZINC000086086839 1165915331 /nfs/dbraw/zinc/91/53/31/1165915331.db2.gz WHSYJJOYRPZMSC-UHFFFAOYSA-N 0 1 204.273 2.186 20 0 BEADMN Cc1ccc(O[C@@H]2CCCN(C)C2)c(F)n1 ZINC001230713122 968472752 /nfs/dbraw/zinc/47/27/52/968472752.db2.gz OQTIKCSUOPREMF-SNVBAGLBSA-N 0 1 224.279 2.002 20 0 BEADMN CCCNc1nc(C)cc(NC2CC2)n1 ZINC000087807068 1165993951 /nfs/dbraw/zinc/99/39/51/1165993951.db2.gz PWXHESIRALGFBJ-UHFFFAOYSA-N 0 1 206.293 2.181 20 0 BEADMN CCCC[C@H](O)C[N@@H+](C)Cc1cccnc1 ZINC001252075683 968490997 /nfs/dbraw/zinc/49/09/97/968490997.db2.gz BXNUMXKARQSVJF-ZDUSSCGKSA-N 0 1 222.332 2.065 20 0 BEADMN O=C(Nc1cnoc1)c1ccc(O)c(Cl)c1 ZINC000061685577 1166015054 /nfs/dbraw/zinc/01/50/54/1166015054.db2.gz STFNWADFTYYVEW-UHFFFAOYSA-N 0 1 238.630 2.286 20 0 BEADMN CCOCCN[C@H]1CCc2c1nccc2Cl ZINC000823330555 968544157 /nfs/dbraw/zinc/54/41/57/968544157.db2.gz CVVHZDWCAASQNK-NSHDSACASA-N 0 1 240.734 2.348 20 0 BEADMN Cn1nccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000080200013 1166023372 /nfs/dbraw/zinc/02/33/72/1166023372.db2.gz WNPWPTUGURORPD-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN CCCC[C@@H](O)CN1CCc2ncsc2C1 ZINC001252094881 968574815 /nfs/dbraw/zinc/57/48/15/968574815.db2.gz RKGCXLWAYUFXMA-SNVBAGLBSA-N 0 1 240.372 2.052 20 0 BEADMN CCCC[C@H](O)CNCc1nc(C)ccc1F ZINC001252110924 968596273 /nfs/dbraw/zinc/59/62/73/968596273.db2.gz QJGYJMYNGMRKNY-NSHDSACASA-N 0 1 240.322 2.170 20 0 BEADMN CCc1nccc(CN2CCC[C@H]3C[C@H]32)n1 ZINC001207089061 968623067 /nfs/dbraw/zinc/62/30/67/968623067.db2.gz CPFKQHYNSOWZRT-CMPLNLGQSA-N 0 1 217.316 2.023 20 0 BEADMN Cc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001207148595 968659699 /nfs/dbraw/zinc/65/96/99/968659699.db2.gz VZIQVJGLJVBGCP-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN Cc1ncccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001207148595 968659701 /nfs/dbraw/zinc/65/97/01/968659701.db2.gz VZIQVJGLJVBGCP-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN Cc1cccnc1CNCc1ccc(CO)cc1 ZINC000133079878 1166164035 /nfs/dbraw/zinc/16/40/35/1166164035.db2.gz AYEKJLVBKYXTHS-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN Cc1ccc(CCCN(C)C2(C)COC2)o1 ZINC001207952394 968949008 /nfs/dbraw/zinc/94/90/08/968949008.db2.gz UERPANPRLOCJHE-UHFFFAOYSA-N 0 1 223.316 2.241 20 0 BEADMN CC1(CN2CC3(C2)CCCCO3)CCOCC1 ZINC001207963355 968960081 /nfs/dbraw/zinc/96/00/81/968960081.db2.gz GRKPUROENHTBHA-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN COCC1CN(CCc2c(F)cccc2F)C1 ZINC001208115272 969005802 /nfs/dbraw/zinc/00/58/02/969005802.db2.gz IVJGVUKWCHIUPZ-UHFFFAOYSA-N 0 1 241.281 2.086 20 0 BEADMN O=C([O-])c1ccc(C[NH+]2CC(C(F)F)C2)s1 ZINC000706434867 969015741 /nfs/dbraw/zinc/01/57/41/969015741.db2.gz VXDIXAQPLAMJSA-UHFFFAOYSA-N 0 1 247.266 2.143 20 0 BEADMN CC/C=C\CCCN1CCn2nccc2C1 ZINC001208139383 969052886 /nfs/dbraw/zinc/05/28/86/969052886.db2.gz YGFORTDINWBEOJ-ARJAWSKDSA-N 0 1 219.332 2.445 20 0 BEADMN CCCc1cnc(C2=CCCN(C)C2)nc1 ZINC001241565277 969055427 /nfs/dbraw/zinc/05/54/27/969055427.db2.gz IUQZBOJETFXJLU-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CS[C@H](C)CCN(C)Cc1ccno1 ZINC001208147559 969065416 /nfs/dbraw/zinc/06/54/16/969065416.db2.gz IYNYGKFAIJOYRH-SECBINFHSA-N 0 1 214.334 2.248 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@H](N)c1ccccc1 ZINC000399744091 1166252818 /nfs/dbraw/zinc/25/28/18/1166252818.db2.gz ONZIUHUXWDOQPB-GFQSEFKGSA-N 0 1 246.354 2.189 20 0 BEADMN C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)[C@@H](C)[C@H]1C ZINC000399744107 1166252564 /nfs/dbraw/zinc/25/25/64/1166252564.db2.gz ONZIUHUXWDOQPB-OWTLIXCDSA-N 0 1 246.354 2.189 20 0 BEADMN CCCCC[C@@H](O)CNCc1cscn1 ZINC001253517739 969195858 /nfs/dbraw/zinc/19/58/58/969195858.db2.gz HJLSKACDBJACSS-LLVKDONJSA-N 0 1 228.361 2.174 20 0 BEADMN OCC1CN(CCCc2ccccc2Cl)C1 ZINC001208870926 969262957 /nfs/dbraw/zinc/26/29/57/969262957.db2.gz AHSMRJPXCRUAQV-UHFFFAOYSA-N 0 1 239.746 2.197 20 0 BEADMN CC(=O)C1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC001208905790 969276775 /nfs/dbraw/zinc/27/67/75/969276775.db2.gz QYFGQILBEYXLEM-QMMMGPOBSA-N 0 1 237.265 2.486 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000228959068 1166304870 /nfs/dbraw/zinc/30/48/70/1166304870.db2.gz MTSGOZIFHTVCME-KYOSRNDESA-N 0 1 246.354 2.165 20 0 BEADMN c1n[nH]cc1CN[C@H](c1ccncc1)C1CC1 ZINC000934699060 1166315890 /nfs/dbraw/zinc/31/58/90/1166315890.db2.gz SPXZGYLMPIIWBO-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN CCC(=O)C(C)(C)CN1CCC[C@@H](F)C1 ZINC001208915969 969302404 /nfs/dbraw/zinc/30/24/04/969302404.db2.gz CLFSBUHOYODRQA-SNVBAGLBSA-N 0 1 215.312 2.426 20 0 BEADMN CCC(=O)C(C)(C)CN1CCOCC12CCC2 ZINC001208919845 969306931 /nfs/dbraw/zinc/30/69/31/969306931.db2.gz FWGCNKKFXRHSNA-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN COc1c(Cl)ccc(-n2cncc2N)c1F ZINC001212583188 969319105 /nfs/dbraw/zinc/31/91/05/969319105.db2.gz KEFROLYRQWFCDC-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN CCOC(C)(C)CN1CCn2cccc2C1 ZINC001209073938 969345898 /nfs/dbraw/zinc/34/58/98/969345898.db2.gz BNASJKGEOZPGNE-UHFFFAOYSA-N 0 1 222.332 2.119 20 0 BEADMN COC(C)(C)CCN1CC2(C1)CCCCO2 ZINC001209402215 969468733 /nfs/dbraw/zinc/46/87/33/969468733.db2.gz GMDHHOBEQIBRIH-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CC[C@H]1CCC[N@H+](Cc2c[nH]c(C)n2)C1 ZINC000724780787 1166414820 /nfs/dbraw/zinc/41/48/20/1166414820.db2.gz LWENMBCEYAXJLZ-NSHDSACASA-N 0 1 207.321 2.340 20 0 BEADMN CSCC[C@H](C)N1CCC(=O)[C@H](C)C1 ZINC000252954361 1166450090 /nfs/dbraw/zinc/45/00/90/1166450090.db2.gz QPYARZXREPNPCS-ZJUUUORDSA-N 0 1 215.362 2.039 20 0 BEADMN CCc1nnc(Nc2cnc(N)cc2C)s1 ZINC001209961389 969722195 /nfs/dbraw/zinc/72/21/95/969722195.db2.gz GYUIFOHSMCRERW-UHFFFAOYSA-N 0 1 235.316 2.130 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(F)n1 ZINC001209966647 969733552 /nfs/dbraw/zinc/73/35/52/969733552.db2.gz CBXVBILYVSZVHD-UHFFFAOYSA-N 0 1 218.235 2.250 20 0 BEADMN COc1c(F)cccc1Nc1cncn1C ZINC001210405028 969884625 /nfs/dbraw/zinc/88/46/25/969884625.db2.gz VUGCAQVUUCVEMH-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN COCc1ccc(CNC/C=C/C2CC2)o1 ZINC000378789442 1166559841 /nfs/dbraw/zinc/55/98/41/1166559841.db2.gz MUUROGJAFOZWNW-NSCUHMNNSA-N 0 1 221.300 2.482 20 0 BEADMN CN(C)c1cccc(N2CCC[C@H]3C[C@H]32)n1 ZINC001157133739 970100631 /nfs/dbraw/zinc/10/06/31/970100631.db2.gz XTRWRNRKDJVYQM-WDEREUQCSA-N 0 1 217.316 2.136 20 0 BEADMN CCC=CCNC(=O)c1n[nH]c2ccccc21 ZINC000394957622 1166607390 /nfs/dbraw/zinc/60/73/90/1166607390.db2.gz LRKOJCGYGZMPTO-UTCJRWHESA-N 0 1 229.283 2.259 20 0 BEADMN c1c[nH]c(CN2C3CCCC2CCC3)n1 ZINC000709049606 1166626310 /nfs/dbraw/zinc/62/63/10/1166626310.db2.gz OPEGOCAYBRDPBG-UHFFFAOYSA-N 0 1 205.305 2.317 20 0 BEADMN CCCC[C@H](C)N1CCN(C(=O)C(C)C)CC1 ZINC001255334547 970119461 /nfs/dbraw/zinc/11/94/61/970119461.db2.gz SHORDVXPTZOSDZ-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnc(NC[C@H](O)C(C)C)c(C)c1 ZINC000394874766 1166647028 /nfs/dbraw/zinc/64/70/28/1166647028.db2.gz VVUKDZWWLWHWHN-NSHDSACASA-N 0 1 208.305 2.127 20 0 BEADMN Cn1cncc1Nc1c(N)cc(F)cc1F ZINC001211248815 970196578 /nfs/dbraw/zinc/19/65/78/970196578.db2.gz GGOZAQFHUKGBKW-UHFFFAOYSA-N 0 1 224.214 2.024 20 0 BEADMN C[C@@H]1C[C@@H](NCCC(F)F)c2nccn21 ZINC000379166862 1166666887 /nfs/dbraw/zinc/66/68/87/1166666887.db2.gz NSRXSUQRFCOEKC-HTQZYQBOSA-N 0 1 215.247 2.134 20 0 BEADMN COC[C@H](C)NCc1cc(F)cc(F)c1F ZINC001255553820 970329755 /nfs/dbraw/zinc/32/97/55/970329755.db2.gz CCCLXGXLAXQAFW-ZETCQYMHSA-N 0 1 233.233 2.228 20 0 BEADMN COC[C@@H](C)NCc1ccc(C(F)(F)F)o1 ZINC001255567522 970360260 /nfs/dbraw/zinc/36/02/60/970360260.db2.gz WPNDPDYNOSNLRU-SSDOTTSWSA-N 0 1 237.221 2.423 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2ncn(C)c2C1 ZINC001255663670 970443023 /nfs/dbraw/zinc/44/30/23/970443023.db2.gz LAEBUEILYJHRGZ-MRVPVSSYSA-N 0 1 247.264 2.119 20 0 BEADMN COc1ccnc(NCc2c(C)n[nH]c2C)c1 ZINC000125084060 1166832697 /nfs/dbraw/zinc/83/26/97/1166832697.db2.gz UZPLBBUJTPBECV-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CC(C)c1nc(CNCCCCO)cs1 ZINC000380252322 1166849143 /nfs/dbraw/zinc/84/91/43/1166849143.db2.gz PMIZVIKFEJCJBG-UHFFFAOYSA-N 0 1 228.361 2.129 20 0 BEADMN Cc1cncc(CN2CCC[C@H](F)CC2)n1 ZINC001203161564 1166868153 /nfs/dbraw/zinc/86/81/53/1166868153.db2.gz JYIIBJXCJQLUMX-NSHDSACASA-N 0 1 223.295 2.109 20 0 BEADMN NCc1nc2ccccc2n1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167890560 1166891448 /nfs/dbraw/zinc/89/14/48/1166891448.db2.gz FKLWPKJWYFRFLI-URLYPYJESA-N 0 1 227.311 2.466 20 0 BEADMN O=C1CCN(CC2CCSCC2)CC[C@@H]1F ZINC001207696891 1166930763 /nfs/dbraw/zinc/93/07/63/1166930763.db2.gz POXQLYPQNNFTON-NSHDSACASA-N 0 1 245.363 2.133 20 0 BEADMN CCCOC1CCC(N2CCO[C@@H]3C[C@@H]32)CC1 ZINC001173100127 975023616 /nfs/dbraw/zinc/02/36/16/975023616.db2.gz AZDQLYZMWMOAHS-CLRIEMFWSA-N 0 1 239.359 2.197 20 0 BEADMN OC[C@H](CC1CCCC1)NCc1nccs1 ZINC000381797361 1166979467 /nfs/dbraw/zinc/97/94/67/1166979467.db2.gz CCAAPFPSPKIBPG-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN CC[C@H](F)CN(C)C[C@@H](C)NC(=O)CC(C)C ZINC001268719630 1166982732 /nfs/dbraw/zinc/98/27/32/1166982732.db2.gz MAWYLMGFSMPXIL-NEPJUHHUSA-N 0 1 246.370 2.217 20 0 BEADMN Cc1cccc2ncc(NC=CC(C)(C)O)n21 ZINC001203216275 1167004295 /nfs/dbraw/zinc/00/42/95/1167004295.db2.gz HQBFYIFMEDWYOI-BQYQJAHWSA-N 0 1 231.299 2.339 20 0 BEADMN CCSC[C@@H](C)N1CCn2cccc2C1 ZINC001173304133 975205114 /nfs/dbraw/zinc/20/51/14/975205114.db2.gz FDHVATANEOTUKP-LLVKDONJSA-N 0 1 224.373 2.445 20 0 BEADMN Cc1nnc([C@H](C)NCCCC(C)(F)F)o1 ZINC001332854293 975295278 /nfs/dbraw/zinc/29/52/78/975295278.db2.gz QLRLKOADDPENFC-ZETCQYMHSA-N 0 1 233.262 2.464 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nncs1 ZINC001332897157 975312839 /nfs/dbraw/zinc/31/28/39/975312839.db2.gz JMXPJDOGSAKQAY-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN N=C(N)N(c1ccc(F)cc1)c1ccncc1F ZINC001167991524 1167116569 /nfs/dbraw/zinc/11/65/69/1167116569.db2.gz IMAWKHLTBDBOHY-UHFFFAOYSA-N 0 1 248.236 2.391 20 0 BEADMN COC/C(C)=C/CN(C)CCC(F)(F)F ZINC001333075998 975403866 /nfs/dbraw/zinc/40/38/66/975403866.db2.gz DXQIKMIRXOFSNX-RUDMXATFSA-N 0 1 225.254 2.463 20 0 BEADMN Cc1ccc(O)c(CNCc2cccc(O)c2)n1 ZINC000383958697 1167182884 /nfs/dbraw/zinc/18/28/84/1167182884.db2.gz OKNXDNUYPOPQMF-UHFFFAOYSA-N 0 1 244.294 2.091 20 0 BEADMN CC[C@@H](Oc1[nH]c(=S)nnc1C)C(C)C ZINC001227602676 975578813 /nfs/dbraw/zinc/57/88/13/975578813.db2.gz VIKQKXGCMPZTMX-MRVPVSSYSA-N 0 1 227.333 2.282 20 0 BEADMN CC(C)[C@H](C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227714142 975642023 /nfs/dbraw/zinc/64/20/23/975642023.db2.gz RKTHCDKKSPGPKC-YUMQZZPRSA-N 0 1 238.287 2.197 20 0 BEADMN COc1ccnc(NCc2nccs2)c1 ZINC000309069499 1167247663 /nfs/dbraw/zinc/24/76/63/1167247663.db2.gz CAGAEXJZOIFDSE-UHFFFAOYSA-N 0 1 221.285 2.159 20 0 BEADMN Cc1coc(CN(C)CC2=CCCOC2)c1 ZINC001333717326 976025509 /nfs/dbraw/zinc/02/55/09/976025509.db2.gz CBHKHBGOPFCTLU-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN Cc1ncc(C[N@H+]2CC(C)(C)C2(C)C)n1C ZINC001333924520 976167716 /nfs/dbraw/zinc/16/77/16/976167716.db2.gz QMRHXIRWJWGTTH-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1ncc(CN2CC(C)(C)C2(C)C)n1C ZINC001333924520 976167728 /nfs/dbraw/zinc/16/77/28/976167728.db2.gz QMRHXIRWJWGTTH-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CC(C)(C)CC[C@H](CO)NCc1nccs1 ZINC000309374114 1167297625 /nfs/dbraw/zinc/29/76/25/1167297625.db2.gz QXGQZLVVUZGLFU-SNVBAGLBSA-N 0 1 242.388 2.420 20 0 BEADMN CCN1CC[C@@H](Oc2ccnc(Cl)c2F)C1 ZINC001228578109 976342227 /nfs/dbraw/zinc/34/22/27/976342227.db2.gz WYARSGWUYLPRAF-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN COc1ccc(CN[C@@H]2C=CCCC2)o1 ZINC001334199630 976369019 /nfs/dbraw/zinc/36/90/19/976369019.db2.gz HPPPJKIODFXNMM-SNVBAGLBSA-N 0 1 207.273 2.487 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)cn1 ZINC001174281756 976437762 /nfs/dbraw/zinc/43/77/62/976437762.db2.gz MRIVCXPIZCXIAD-UHFFFAOYSA-N 0 1 215.256 2.021 20 0 BEADMN CC[C@@H](Oc1nc(OC)cc(=O)[nH]1)C(C)(C)C ZINC001228918055 976576136 /nfs/dbraw/zinc/57/61/36/976576136.db2.gz LASZQHKNEJUOLK-MRVPVSSYSA-N 0 1 240.303 2.394 20 0 BEADMN CN1CC[C@H](Oc2cc(O)ccc2Cl)C1 ZINC001228226652 1167357844 /nfs/dbraw/zinc/35/78/44/1167357844.db2.gz NMYONOZQDDDIFA-VIFPVBQESA-N 0 1 227.691 2.129 20 0 BEADMN CCN(C)C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174554888 976859127 /nfs/dbraw/zinc/85/91/27/976859127.db2.gz BOXCZPFNSJNTCZ-UHFFFAOYSA-N 0 1 237.690 2.308 20 0 BEADMN COC[C@H](C)n1[nH]c(C2CCCCC2)cc1=O ZINC001335839414 977317744 /nfs/dbraw/zinc/31/77/44/977317744.db2.gz ZIXXNWFOAHHOQN-JTQLQIEISA-N 0 1 238.331 2.190 20 0 BEADMN OC[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225357050 1167442504 /nfs/dbraw/zinc/44/25/04/1167442504.db2.gz LIBCUUBOSKOGOH-HTQZYQBOSA-N 0 1 246.763 2.047 20 0 BEADMN CC(=O)Nc1cc(N=CCC(C)(C)C)ncn1 ZINC001175569459 977555975 /nfs/dbraw/zinc/55/59/75/977555975.db2.gz RRGGAIQSHKHYTN-AATRIKPKSA-N 0 1 234.303 2.407 20 0 BEADMN CN(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000041580065 1167527567 /nfs/dbraw/zinc/52/75/67/1167527567.db2.gz YNAJXANTGXUREW-UHFFFAOYSA-N 0 1 209.680 2.278 20 0 BEADMN CCc1ccc(NC2=CCCN(C)C2)cn1 ZINC001175577708 977584698 /nfs/dbraw/zinc/58/46/98/977584698.db2.gz VMRHRHUXYKKIKL-UHFFFAOYSA-N 0 1 217.316 2.275 20 0 BEADMN CSc1ccc(Nc2cncn2C)cn1 ZINC001175653966 977611856 /nfs/dbraw/zinc/61/18/56/977611856.db2.gz OMNCBUWBDNHCIM-UHFFFAOYSA-N 0 1 220.301 2.281 20 0 BEADMN COc1cc(F)ccc1CN1CC[C@@H](OC)C1 ZINC001231600530 977647674 /nfs/dbraw/zinc/64/76/74/977647674.db2.gz PTNMJZKJBMRBHZ-GFCCVEGCSA-N 0 1 239.290 2.055 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCO[C@@H](C)C2)s1 ZINC000381334934 1167545633 /nfs/dbraw/zinc/54/56/33/1167545633.db2.gz VKKXOHRXTJVSRX-NRPADANISA-N 0 1 241.360 2.065 20 0 BEADMN Cc1nsc(C)c1C[N@@H+](C)CCCC(=O)[O-] ZINC001594503711 977695102 /nfs/dbraw/zinc/69/51/02/977695102.db2.gz LPGTULUOMWGUEE-UHFFFAOYSA-N 0 1 242.344 2.057 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2C[C@H](CO)C2)c(C)s1 ZINC000927151181 1167560583 /nfs/dbraw/zinc/56/05/83/1167560583.db2.gz VUBYGKUKCLCYKB-AVPPRXQKSA-N 0 1 240.372 2.181 20 0 BEADMN c1nnc(Nc2ccc3scnc3c2)o1 ZINC001175910744 977811611 /nfs/dbraw/zinc/81/16/11/977811611.db2.gz BQFMNIJDLIFUHS-UHFFFAOYSA-N 0 1 218.241 2.423 20 0 BEADMN Cc1nc(-c2ccccc2)nc2nc[nH]c21 ZINC000034563279 1167576220 /nfs/dbraw/zinc/57/62/20/1167576220.db2.gz POEAZMGXXGAIJO-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC1CCN(Cc2cncc(O)c2)CC1 ZINC001232039680 977861287 /nfs/dbraw/zinc/86/12/87/977861287.db2.gz JEOMNCLBZJLKFH-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC1(C)CN(Cc2cc3ncccc3[nH]2)C1 ZINC001232063409 977878874 /nfs/dbraw/zinc/87/88/74/977878874.db2.gz JXCAXTGJYYFKMU-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN Oc1cc(Cl)cnc1N=C1CCOCC1 ZINC001176139670 977916219 /nfs/dbraw/zinc/91/62/19/977916219.db2.gz FXBDHWMZSUTRMJ-UHFFFAOYSA-N 0 1 226.663 2.157 20 0 BEADMN Cc1scnc1CN1CCC[C@@H](CCO)C1 ZINC001232206858 977924823 /nfs/dbraw/zinc/92/48/23/977924823.db2.gz PRMHRHQOVYNCGD-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN Cc1scnc1CN(C)CC1CCOCC1 ZINC001232204549 977928528 /nfs/dbraw/zinc/92/85/28/977928528.db2.gz QBKUWQRHXDPVOT-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN COCCN(C)Cc1ccnc(C(C)(C)C)c1 ZINC001232212157 977935497 /nfs/dbraw/zinc/93/54/97/977935497.db2.gz JBPJSAIYMAGIHK-UHFFFAOYSA-N 0 1 236.359 2.457 20 0 BEADMN Cc1nnc(CNC2(C)CCCC2)s1 ZINC000698256256 1167642545 /nfs/dbraw/zinc/64/25/45/1167642545.db2.gz SGRAKPKNUVFSIY-UHFFFAOYSA-N 0 1 211.334 2.269 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(SC)nc2)C1 ZINC001232326482 978005243 /nfs/dbraw/zinc/00/52/43/978005243.db2.gz HXYUHDKEFYWJQG-NSHDSACASA-N 0 1 238.356 2.024 20 0 BEADMN Cc1ccc(CN2CCCC23COC3)cc1 ZINC001204171639 978017769 /nfs/dbraw/zinc/01/77/69/978017769.db2.gz NETHXODOBYFEJW-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN CCCC[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001595742542 978130482 /nfs/dbraw/zinc/13/04/82/978130482.db2.gz MBOPVHWWUWXKQS-VHSXEESVSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1O ZINC001233234239 1167709034 /nfs/dbraw/zinc/70/90/34/1167709034.db2.gz PBJWGIVSEUDTAH-BETUJISGSA-N 0 1 245.322 2.112 20 0 BEADMN CN(C)[C@H]1CC[N@H+](Cc2ccc([S-])cc2)C1 ZINC001233258802 978514867 /nfs/dbraw/zinc/51/48/67/978514867.db2.gz UXCIAJMDGVLXDU-LBPRGKRZSA-N 0 1 236.384 2.111 20 0 BEADMN CN(C)[C@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258802 978514874 /nfs/dbraw/zinc/51/48/74/978514874.db2.gz UXCIAJMDGVLXDU-LBPRGKRZSA-N 0 1 236.384 2.111 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccc([S-])cc2)CCC1=O ZINC001233258689 978515859 /nfs/dbraw/zinc/51/58/59/978515859.db2.gz OWODUHQHHQKDML-JTQLQIEISA-N 0 1 235.352 2.386 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc([S-])cc2)CCC1=O ZINC001233258689 978515868 /nfs/dbraw/zinc/51/58/68/978515868.db2.gz OWODUHQHHQKDML-JTQLQIEISA-N 0 1 235.352 2.386 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC001233262025 978519500 /nfs/dbraw/zinc/51/95/00/978519500.db2.gz OANCPFKYAIDDMM-UHFFFAOYSA-N 0 1 235.352 2.340 20 0 BEADMN COC[C@H]1CCCN1Cc1cc(C)ns1 ZINC001233309992 978536181 /nfs/dbraw/zinc/53/61/81/978536181.db2.gz LYRISTVISFEIOS-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)CCN1C ZINC001233316395 978546741 /nfs/dbraw/zinc/54/67/41/978546741.db2.gz FGHKPDBJYCAPPR-SECBINFHSA-N 0 1 228.723 2.069 20 0 BEADMN Cc1cnsc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001233318611 978548764 /nfs/dbraw/zinc/54/87/64/978548764.db2.gz KGFPDLJKSZYIPD-AOOOYVTPSA-N 0 1 236.340 2.147 20 0 BEADMN CCO[C@@H]1CCN(Cc2sncc2C)C1 ZINC001233322050 978560688 /nfs/dbraw/zinc/56/06/88/978560688.db2.gz PLRQMYGMJSYZJS-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CN(CCC1CC1)Cc1cncc(Cl)n1 ZINC001233450170 978609493 /nfs/dbraw/zinc/60/94/93/978609493.db2.gz JEMGXKHXTWRBRH-UHFFFAOYSA-N 0 1 225.723 2.362 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nc(CO)cs1 ZINC001180203173 978839612 /nfs/dbraw/zinc/83/96/12/978839612.db2.gz LHSLGQPGIJQJBR-KOLCDFICSA-N 0 1 240.372 2.256 20 0 BEADMN Cc1cc(CNC(=O)CCC(F)=C(F)F)n[nH]1 ZINC001180279432 978858080 /nfs/dbraw/zinc/85/80/80/978858080.db2.gz CCEYHVDUJVUTCI-UHFFFAOYSA-N 0 1 247.220 2.192 20 0 BEADMN COCCN(C)Cc1cc(F)c(F)c(OC)c1 ZINC001235434983 979044373 /nfs/dbraw/zinc/04/43/73/979044373.db2.gz WJGMQAINIYVJGJ-UHFFFAOYSA-N 0 1 245.269 2.052 20 0 BEADMN CC(C)[C@H](C)CC(=O)NCCCN(C)CCF ZINC001235544172 979088455 /nfs/dbraw/zinc/08/84/55/979088455.db2.gz GTGXHHOYVQZIKP-GFCCVEGCSA-N 0 1 246.370 2.076 20 0 BEADMN COC[C@H]1CCCN1Cc1ccc(F)nc1C ZINC001235806173 979155109 /nfs/dbraw/zinc/15/51/09/979155109.db2.gz RBUKDKWTADVOQR-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN COc1cc(Nc2cc[nH]c(=O)c2)ncc1C ZINC001212271681 1168221522 /nfs/dbraw/zinc/22/15/22/1168221522.db2.gz RJSSIWLYMPIMDB-UHFFFAOYSA-N 0 1 231.255 2.243 20 0 BEADMN CCN(Cc1cn(C2CC2)cn1)C[C@@H](C)OC ZINC001181932947 979374027 /nfs/dbraw/zinc/37/40/27/979374027.db2.gz KJERNOQPAKAZJQ-LLVKDONJSA-N 0 1 237.347 2.075 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001603752879 979513233 /nfs/dbraw/zinc/51/32/33/979513233.db2.gz DVNSJIKNENHYEB-KXUCPTDWSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@H]([N@@H+](C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001604254937 979606851 /nfs/dbraw/zinc/60/68/51/979606851.db2.gz UAPWXFLZQQQDLO-YIZRAAEISA-N 0 1 249.301 2.319 20 0 BEADMN CCc1cc(=O)n(-c2ccccc2F)[nH]1 ZINC000116603164 1168306082 /nfs/dbraw/zinc/30/60/82/1168306082.db2.gz OAMVTDDEGHWOQD-UHFFFAOYSA-N 0 1 206.220 2.279 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001604664268 979696614 /nfs/dbraw/zinc/69/66/14/979696614.db2.gz FALJYZUNDQAYID-OCAPTIKFSA-N 0 1 225.313 2.429 20 0 BEADMN N[C@@H](C(=O)Nc1ccsc1)c1ccccc1 ZINC000085535075 1168339696 /nfs/dbraw/zinc/33/96/96/1168339696.db2.gz KETOBTSNXABWMP-LLVKDONJSA-N 0 1 232.308 2.387 20 0 BEADMN Cc1c(CN(C)[C@H]2CCOC2)ccc(F)c1F ZINC001237162791 979824009 /nfs/dbraw/zinc/82/40/09/979824009.db2.gz PLIMHIHROXSUGJ-NSHDSACASA-N 0 1 241.281 2.494 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2occc2[S-])[C@@H]1CO ZINC001237179058 979827633 /nfs/dbraw/zinc/82/76/33/979827633.db2.gz CARRLKPKEKZSJJ-VHSXEESVSA-N 0 1 241.356 2.161 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2occc2[S-])[C@@H]1CO ZINC001237179058 979827635 /nfs/dbraw/zinc/82/76/35/979827635.db2.gz CARRLKPKEKZSJJ-VHSXEESVSA-N 0 1 241.356 2.161 20 0 BEADMN O=C1CCCN(CC2OC=CC2=S)CC1 ZINC001237177568 979829402 /nfs/dbraw/zinc/82/94/02/979829402.db2.gz RJVGMPIEJRJVBW-UHFFFAOYSA-N 0 1 225.313 2.123 20 0 BEADMN CCC(=O)NC1(C)CCN(C[C@@H](F)CC)CC1 ZINC001671394077 1168397746 /nfs/dbraw/zinc/39/77/46/1168397746.db2.gz RYLVVAONNJZKNQ-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN COc1ccoc1CN1C2CCC1CC2 ZINC001237871896 980107736 /nfs/dbraw/zinc/10/77/36/980107736.db2.gz NZUVBNQEAISCDP-UHFFFAOYSA-N 0 1 207.273 2.415 20 0 BEADMN CCO[C@H]1CCCN(Cc2occc2OC)C1 ZINC001237871877 980109446 /nfs/dbraw/zinc/10/94/46/980109446.db2.gz NNCXWZVFVBITBY-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN Oc1cc(F)c(CN2CCCO2)cc1Cl ZINC001238142614 980173668 /nfs/dbraw/zinc/17/36/68/980173668.db2.gz HTDAMRCZZHYAHW-UHFFFAOYSA-N 0 1 231.654 2.322 20 0 BEADMN Cc1ncncc1CN1CCC(C)(F)CC1 ZINC001238163038 980190246 /nfs/dbraw/zinc/19/02/46/980190246.db2.gz FDXVNTVCNSOIPI-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN CCN(Cc1nnc2n1CCCC2)C(C)(C)C ZINC001344336077 980370903 /nfs/dbraw/zinc/37/09/03/980370903.db2.gz SPPXBXDTLKADIV-UHFFFAOYSA-N 0 1 236.363 2.235 20 0 BEADMN COc1ccccc1NCc1cc(C)[nH]n1 ZINC000390508429 1168484863 /nfs/dbraw/zinc/48/48/63/1168484863.db2.gz YIODOOWBIQCBCZ-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN CCC(CC)COC(=O)N1CCNC(C)(C)C1 ZINC001239333919 980541287 /nfs/dbraw/zinc/54/12/87/980541287.db2.gz JIAHEHSUKQCKQY-UHFFFAOYSA-N 0 1 242.363 2.243 20 0 BEADMN CCCCOC1CN([C@H]2CCO[C@@H](CC)C2)C1 ZINC001170222610 1168527683 /nfs/dbraw/zinc/52/76/83/1168527683.db2.gz ODNYCRQDZGZKGJ-STQMWFEESA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](F)C(=O)Nc1ccc2nc[nH]c2c1 ZINC001346762995 980903074 /nfs/dbraw/zinc/90/30/74/980903074.db2.gz JPAIGLMLDUQSLF-QMMMGPOBSA-N 0 1 221.235 2.250 20 0 BEADMN COc1ncccc1-c1cc(N)c(C)cn1 ZINC001239856736 980996079 /nfs/dbraw/zinc/99/60/79/980996079.db2.gz GHAOVUHSYYHERW-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN CC[C@](N)(CO)Nc1cccc2ccc(C)nc21 ZINC001170863154 1168612166 /nfs/dbraw/zinc/61/21/66/1168612166.db2.gz BDOKBACMEFJDAD-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCCSC2)[nH]1 ZINC001347354225 981055742 /nfs/dbraw/zinc/05/57/42/981055742.db2.gz UMVANZBNHMBQMR-UHFFFAOYSA-N 0 1 239.344 2.070 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(Cl)cn1 ZINC001136925478 1168634225 /nfs/dbraw/zinc/63/42/25/1168634225.db2.gz AGDCSNNVMMIYAO-CABZTGNLSA-N 0 1 240.734 2.080 20 0 BEADMN CCCCCOC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001193750185 981442840 /nfs/dbraw/zinc/44/28/40/981442840.db2.gz COLHWMGZOUIXLJ-NWDGAFQWSA-N 0 1 242.363 2.338 20 0 BEADMN Cc1ccc(C)c(Nc2nccnc2CN)c1 ZINC001171447646 1168673144 /nfs/dbraw/zinc/67/31/44/1168673144.db2.gz KSHXANBEQNDXOO-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)NCc1ncccn1 ZINC001172313921 1168679347 /nfs/dbraw/zinc/67/93/47/1168679347.db2.gz DHCTVJDYSZBUNL-NWDGAFQWSA-N 0 1 237.347 2.160 20 0 BEADMN CC(=O)c1nn(C)cc1NC1=CCCCC1 ZINC001175751651 1168697760 /nfs/dbraw/zinc/69/77/60/1168697760.db2.gz LABDISDGUFGLQJ-UHFFFAOYSA-N 0 1 219.288 2.493 20 0 BEADMN C[Si](C)(C)CCS(=O)(=O)Nc1ccco1 ZINC001195048231 982036345 /nfs/dbraw/zinc/03/63/45/982036345.db2.gz LTGXHPPPQIVKKA-UHFFFAOYSA-N 0 1 247.392 2.360 20 0 BEADMN CC[C@@H](C)OC(=O)N1CC(N2CCCCC2)C1 ZINC001195107797 982087066 /nfs/dbraw/zinc/08/70/66/982087066.db2.gz ICAQRODTBNRQHR-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CCC[C@H](F)C1 ZINC001350975763 982144718 /nfs/dbraw/zinc/14/47/18/982144718.db2.gz MZVIBKBIBNCSCE-UJNFCWOMSA-N 0 1 227.283 2.309 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC001594874760 982203716 /nfs/dbraw/zinc/20/37/16/982203716.db2.gz DTGSLGXXVDLJGL-WPRPVWTQSA-N 0 1 242.344 2.074 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC001594874760 982203727 /nfs/dbraw/zinc/20/37/27/982203727.db2.gz DTGSLGXXVDLJGL-WPRPVWTQSA-N 0 1 242.344 2.074 20 0 BEADMN CO[C@H]1CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC001351134407 982213469 /nfs/dbraw/zinc/21/34/69/982213469.db2.gz XPUYNBWVCUFNCF-ONGXEEELSA-N 0 1 224.279 2.002 20 0 BEADMN CC1(C)C[N@H+](CC(=O)[O-])[C@H]1c1cccs1 ZINC001589231533 982671608 /nfs/dbraw/zinc/67/16/08/982671608.db2.gz TTXDHCAJJMVDQK-JTQLQIEISA-N 0 1 225.313 2.216 20 0 BEADMN CC1(C)C[N@@H+](CC(=O)[O-])[C@H]1c1cccs1 ZINC001589231533 982671612 /nfs/dbraw/zinc/67/16/12/982671612.db2.gz TTXDHCAJJMVDQK-JTQLQIEISA-N 0 1 225.313 2.216 20 0 BEADMN COC(=O)c1ccoc1CN[C@@H](C)C1(C)CC1 ZINC001198406921 982705500 /nfs/dbraw/zinc/70/55/00/982705500.db2.gz OWRSOSRHWVJLOG-VIFPVBQESA-N 0 1 237.299 2.344 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CF)cc1 ZINC001589443199 982788083 /nfs/dbraw/zinc/78/80/83/982788083.db2.gz BIUBGMDRBFFUGU-LBPRGKRZSA-N 0 1 239.290 2.451 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC001589445533 982794643 /nfs/dbraw/zinc/79/46/43/982794643.db2.gz SHEZTHCSZNSVBQ-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC001589444832 982794706 /nfs/dbraw/zinc/79/47/06/982794706.db2.gz GIWFJZHQROXBAN-BIIVOSGPSA-N 0 1 239.237 2.122 20 0 BEADMN CN1CCC=C(c2ccc(C(F)(F)F)nn2)C1 ZINC001241565911 982807247 /nfs/dbraw/zinc/80/72/47/982807247.db2.gz PGBIFZLLUCLVBT-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CCCc1ccnc(C2=CCCN(C)C2)n1 ZINC001241566764 982811921 /nfs/dbraw/zinc/81/19/21/982811921.db2.gz CTMYQFZWVZDLBJ-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CN(Cc1ccn(C)n1)CC1(C)CCC1 ZINC001198620914 982824312 /nfs/dbraw/zinc/82/43/12/982824312.db2.gz GBIWIEBMVLRYTR-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H]3CCO[C@H]3C2)cn1 ZINC001137074421 1168917696 /nfs/dbraw/zinc/91/76/96/1168917696.db2.gz KSFKWMYZNGIUCO-KGLIPLIRSA-N 0 1 249.358 2.075 20 0 BEADMN CN(CCC=Cc1cccnc1)Cc1cc[nH]n1 ZINC001137131100 1168930179 /nfs/dbraw/zinc/93/01/79/1168930179.db2.gz WVJWZGBRZHWZDF-GORDUTHDSA-N 0 1 242.326 2.340 20 0 BEADMN CCn1ccc(C[N@@H+](C)CCCCC(=O)[O-])c1 ZINC001593666467 983333212 /nfs/dbraw/zinc/33/32/12/983333212.db2.gz ZSAGOCXCYJUVNJ-UHFFFAOYSA-N 0 1 238.331 2.195 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)[C@H]1CCSC1 ZINC001593742286 983354701 /nfs/dbraw/zinc/35/47/01/983354701.db2.gz YGNLARDCYIUUQM-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CN1CCC12CN(Cc1ccc3occc3c1)C2 ZINC001275660524 1169052558 /nfs/dbraw/zinc/05/25/58/1169052558.db2.gz QUXYZIGUGXDKKJ-UHFFFAOYSA-N 0 1 242.322 2.323 20 0 BEADMN CCCCCN1CCc2c(ncnc2OC)C1 ZINC001201735683 983478067 /nfs/dbraw/zinc/47/80/67/983478067.db2.gz ZHADOZDUOFZRMN-UHFFFAOYSA-N 0 1 235.331 2.034 20 0 BEADMN CC(C)OC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000043446999 1169088445 /nfs/dbraw/zinc/08/84/45/1169088445.db2.gz JVIXIVGREGYQGK-GHMZBOCLSA-N 0 1 213.321 2.201 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1occc1C ZINC001596299323 983723319 /nfs/dbraw/zinc/72/33/19/983723319.db2.gz BMQGQQBDUSPQJW-WZUFQYTHSA-N 0 1 237.299 2.441 20 0 BEADMN CCC[C@@H](O)CN1CCC[C@@H]1c1nccs1 ZINC001252789562 983886632 /nfs/dbraw/zinc/88/66/32/983886632.db2.gz VLNQXEVDDRWTSU-GHMZBOCLSA-N 0 1 240.372 2.441 20 0 BEADMN CCN(Cc1cc(C)cs1)C1CN(C)C1 ZINC001137160439 984008878 /nfs/dbraw/zinc/00/88/78/984008878.db2.gz YQIXDGHQIYLIOW-UHFFFAOYSA-N 0 1 224.373 2.192 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC12CCC(CC1)C2 ZINC001573767348 984040289 /nfs/dbraw/zinc/04/02/89/984040289.db2.gz AALBUTAXCXJWJF-AKJDGMEZSA-N 0 1 225.332 2.362 20 0 BEADMN C1CC12C[C@H]2c1nc([C@@H]2CN3CCC2CC3)no1 ZINC000351340888 1169208019 /nfs/dbraw/zinc/20/80/19/1169208019.db2.gz VHRMHDAFXRMWNJ-MNOVXSKESA-N 0 1 245.326 2.146 20 0 BEADMN CC[C@H]([NH2+][C@@H](CC)c1nccs1)C(=O)[O-] ZINC000082759008 949025340 /nfs/dbraw/zinc/02/53/40/949025340.db2.gz UVDGOVFAQFVXFK-YUMQZZPRSA-N 0 1 228.317 2.047 20 0 BEADMN CN1CCC[C@H](Oc2c(O)cccc2F)C1 ZINC001225800819 974689006 /nfs/dbraw/zinc/68/90/06/974689006.db2.gz NCSMAZCUZNUHRP-VIFPVBQESA-N 0 1 225.263 2.004 20 0 BEADMN Cc1n[nH]c(CN2CCCOC(C)(C)C2)c1C ZINC001331554051 974760320 /nfs/dbraw/zinc/76/03/20/974760320.db2.gz SKLSLZSSYDDUGI-UHFFFAOYSA-N 0 1 237.347 2.027 20 0 BEADMN CC(C)OCC[C@@H](C)N1CC2(C1)CCCO2 ZINC001172441913 974801547 /nfs/dbraw/zinc/80/15/47/974801547.db2.gz DLLVFRGRGSLXIW-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN CCOC(=O)CN(CC)[C@H](C)CCOC(C)C ZINC001172453972 974816345 /nfs/dbraw/zinc/81/63/45/974816345.db2.gz IPSIYVPAQWEXRG-GFCCVEGCSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H](C)c1ccoc1)N(C)C ZINC001123481103 1169342294 /nfs/dbraw/zinc/34/22/94/1169342294.db2.gz XRQKFVCAHGDFJW-JQWIXIFHSA-N 0 1 239.315 2.470 20 0 BEADMN Oc1cnccc1CN1CCc2sccc2C1 ZINC001140272720 1169370534 /nfs/dbraw/zinc/37/05/34/1169370534.db2.gz CMFMHCDFNNDAPK-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN COC1=CC[C@H](OCc2cnc[nH]2)CC1 ZINC001223008175 972801180 /nfs/dbraw/zinc/80/11/80/972801180.db2.gz WCVKQHCYTCZVBR-NSHDSACASA-N 0 1 208.261 2.009 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)[C@H]2C)[nH]1 ZINC001327907094 972804081 /nfs/dbraw/zinc/80/40/81/972804081.db2.gz MYECDITUJQFWGU-DTWKUNHWSA-N 0 1 221.304 2.014 20 0 BEADMN CCCCCC[C@H](C)OCc1nn[nH]n1 ZINC001223028696 972807795 /nfs/dbraw/zinc/80/77/95/972807795.db2.gz BMZMTJOKITUOII-VIFPVBQESA-N 0 1 212.297 2.075 20 0 BEADMN O=C(N[C@@H]1C[C@H]1c1ccccc1F)C(F)(F)F ZINC000837893414 1169384371 /nfs/dbraw/zinc/38/43/71/1169384371.db2.gz GKPIOGXLJDGZLT-IONNQARKSA-N 0 1 247.191 2.360 20 0 BEADMN CCC/C=C\C(=O)N1CCN(C(C)(C)C)CC1 ZINC001328221525 972908209 /nfs/dbraw/zinc/90/82/09/972908209.db2.gz JXZPKUXAUJNUHC-FPLPWBNLSA-N 0 1 238.375 2.285 20 0 BEADMN O[C@@H]1CCN(Cc2coc3ccc(F)cc23)C1 ZINC001141846500 1169394911 /nfs/dbraw/zinc/39/49/11/1169394911.db2.gz ACOOAAVBZUYMIE-LLVKDONJSA-N 0 1 235.258 2.139 20 0 BEADMN COC(=O)[C@@H](C)N(C)[C@H](C)CCC(C)C ZINC001256370486 970779045 /nfs/dbraw/zinc/77/90/45/970779045.db2.gz ITLUFNTWNYUGFU-GHMZBOCLSA-N 0 1 215.337 2.304 20 0 BEADMN CC(C)CC[C@@H](C)N1CCN(C(C)C)C(=O)C1 ZINC001256370870 970784121 /nfs/dbraw/zinc/78/41/21/970784121.db2.gz DBAACVFYKZXBJB-CYBMUJFWSA-N 0 1 240.391 2.364 20 0 BEADMN Fc1cc(Nc2ccno2)cc2n[nH]cc21 ZINC001215552720 970785028 /nfs/dbraw/zinc/78/50/28/970785028.db2.gz ASQOJUKPZBSJHN-UHFFFAOYSA-N 0 1 218.191 2.434 20 0 BEADMN Cc1ncn(C)c1Nc1cc2n[nH]cc2c(F)c1 ZINC001215556739 970787057 /nfs/dbraw/zinc/78/70/57/970787057.db2.gz YXBDYRGRXNBMQG-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN Cc1ncn(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215556739 970787063 /nfs/dbraw/zinc/78/70/63/970787063.db2.gz YXBDYRGRXNBMQG-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCC(=O)[C@@H](C)CC1 ZINC001256409110 970814320 /nfs/dbraw/zinc/81/43/20/970814320.db2.gz BAVFNQCWMZIZPV-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001256408782 970814673 /nfs/dbraw/zinc/81/46/73/970814673.db2.gz DDAJULFQGJMLAI-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN COc1cncc(Nc2nonc2C2CC2)c1C ZINC001215733349 970821381 /nfs/dbraw/zinc/82/13/81/970821381.db2.gz RUSQXSVPJQEFLN-UHFFFAOYSA-N 0 1 246.270 2.403 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001256414366 970821533 /nfs/dbraw/zinc/82/15/33/970821533.db2.gz LRTADPUOPUASGY-XWUBHJNHSA-N 0 1 234.318 2.302 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCn2cccc2C1 ZINC001256418062 970823509 /nfs/dbraw/zinc/82/35/09/970823509.db2.gz RAPJBUUMXMGSIQ-CYBMUJFWSA-N 0 1 241.338 2.330 20 0 BEADMN C[C@H](Cc1ccccn1)N1CC(C(F)F)C1 ZINC001256424743 970828705 /nfs/dbraw/zinc/82/87/05/970828705.db2.gz MWXCFQJUKRSFHO-SECBINFHSA-N 0 1 226.270 2.210 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CC(C(F)F)C1 ZINC001256424744 970828948 /nfs/dbraw/zinc/82/89/48/970828948.db2.gz MWXCFQJUKRSFHO-VIFPVBQESA-N 0 1 226.270 2.210 20 0 BEADMN CCOC1CCC(NCc2ncco2)CC1 ZINC001256423924 970832005 /nfs/dbraw/zinc/83/20/05/970832005.db2.gz MOXGLEHIDOJFKJ-UHFFFAOYSA-N 0 1 224.304 2.112 20 0 BEADMN Cc1ccc(Nc2ccn(C)n2)c2cn[nH]c21 ZINC001215754263 970832044 /nfs/dbraw/zinc/83/20/44/970832044.db2.gz QOTGEMZRMPFDCG-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1nonc1Nc1ccc(C)c2[nH]ncc21 ZINC001215755450 970832270 /nfs/dbraw/zinc/83/22/70/970832270.db2.gz QSODAFYRXICGJO-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN CC(C)[C@@H]1CN([C@@H](C)Cc2ccccn2)CCO1 ZINC001256425696 970834080 /nfs/dbraw/zinc/83/40/80/970834080.db2.gz IMTZJDGXVMDDAU-ZFWWWQNUSA-N 0 1 248.370 2.369 20 0 BEADMN CC(C)Oc1cc(Nc2cncn2C)ccn1 ZINC001215766638 970834120 /nfs/dbraw/zinc/83/41/20/970834120.db2.gz JHXFPLPKZCBMLA-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN CCOC1CCC(Nc2cccnc2CN)CC1 ZINC001256431406 970834260 /nfs/dbraw/zinc/83/42/60/970834260.db2.gz CXFOGZOSYWFTNQ-UHFFFAOYSA-N 0 1 249.358 2.300 20 0 BEADMN Cc1ncn(-c2cnc(OC(C)C)cc2C)c1N ZINC001215770496 970836808 /nfs/dbraw/zinc/83/68/08/970836808.db2.gz DXWZHSJILAGJID-UHFFFAOYSA-N 0 1 246.314 2.254 20 0 BEADMN CC(C)Cc1nnc([C@@H]2CCCc3[nH]cnc32)o1 ZINC001256432674 970838828 /nfs/dbraw/zinc/83/88/28/970838828.db2.gz YQWJRQPXJQEKEP-SECBINFHSA-N 0 1 246.314 2.459 20 0 BEADMN CSc1ncc(Nc2nnco2)cc1C ZINC001215826737 970854897 /nfs/dbraw/zinc/85/48/97/970854897.db2.gz SUSZKLQPOBRSFC-UHFFFAOYSA-N 0 1 222.273 2.239 20 0 BEADMN CC(C)c1cc(-n2cncc2N)ccc1O ZINC001215845054 970862368 /nfs/dbraw/zinc/86/23/68/970862368.db2.gz PNZRGDDWCYFJNN-UHFFFAOYSA-N 0 1 217.272 2.284 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1ncc2c(n1)CNC2 ZINC001157879692 970867898 /nfs/dbraw/zinc/86/78/98/970867898.db2.gz GYECZFPXUAZQJR-UWVGGRQHSA-N 0 1 234.347 2.316 20 0 BEADMN CC(C)N1CC(OCCc2ccsc2)C1 ZINC001224537517 973753515 /nfs/dbraw/zinc/75/35/15/973753515.db2.gz JUWHXJOVQFQHTI-UHFFFAOYSA-N 0 1 225.357 2.400 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1ncc2c(n1)CNC2 ZINC001157879693 970869049 /nfs/dbraw/zinc/86/90/49/970869049.db2.gz GYECZFPXUAZQJR-VHSXEESVSA-N 0 1 234.347 2.316 20 0 BEADMN O=c1cccc(-c2cccc3cncn32)[nH]1 ZINC001243735605 970898585 /nfs/dbraw/zinc/89/85/85/970898585.db2.gz GRXGHPMHCDENDA-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN CC(C)c1cc(-n2cncc2N)ccc1N ZINC001216043435 970913764 /nfs/dbraw/zinc/91/37/64/970913764.db2.gz MYYGNJRVEKDZKG-UHFFFAOYSA-N 0 1 216.288 2.160 20 0 BEADMN O=C([O-])C[N@@H+](CC=C(Cl)Cl)CC1CC1 ZINC000403350116 970917104 /nfs/dbraw/zinc/91/71/04/970917104.db2.gz VZIJCRMMZHGBSF-UHFFFAOYSA-N 0 1 238.114 2.102 20 0 BEADMN Cc1nc2cnc(NC(C3CC3)C3CC3)nc2[nH]1 ZINC001157921081 970930573 /nfs/dbraw/zinc/93/05/73/970930573.db2.gz ZYLWRJCSKBUPPL-UHFFFAOYSA-N 0 1 243.314 2.213 20 0 BEADMN Cc1cc(-n2cncc2N)cc(Cl)c1O ZINC001216085118 970933937 /nfs/dbraw/zinc/93/39/37/970933937.db2.gz SSASRMVNMBQNKV-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN C[C@H](Cc1ccncc1)N1CC[C@H](F)C1 ZINC001256734717 970955987 /nfs/dbraw/zinc/95/59/87/970955987.db2.gz BDOZDBHBXYDZSW-PWSUYJOCSA-N 0 1 208.280 2.056 20 0 BEADMN OCC[C@@H]1CCCN1CC=C(Cl)Cl ZINC000403595513 970958744 /nfs/dbraw/zinc/95/87/44/970958744.db2.gz FUUGFMHMDNVKBO-QMMMGPOBSA-N 0 1 224.131 2.152 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CC[C@H](F)C1 ZINC001256734716 970959241 /nfs/dbraw/zinc/95/92/41/970959241.db2.gz BDOZDBHBXYDZSW-JQWIXIFHSA-N 0 1 208.280 2.056 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@H](C)Cc1ccncc1 ZINC001256745507 970978998 /nfs/dbraw/zinc/97/89/98/970978998.db2.gz MHPBWQQABRMFFA-DOMZBBRYSA-N 0 1 246.354 2.456 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCOCC12CCC2 ZINC001256746648 970980552 /nfs/dbraw/zinc/98/05/52/970980552.db2.gz ZJHVZRLUISOXMG-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN CN(C1COC1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815547 970994382 /nfs/dbraw/zinc/99/43/82/970994382.db2.gz BIJRAFXLOVZOBY-UKRRQHHQSA-N 0 1 247.338 2.237 20 0 BEADMN C[C@@H]1CC[C@@H](n2ccnc2CN)C[C@@H]1C ZINC000087343207 1169495437 /nfs/dbraw/zinc/49/54/37/1169495437.db2.gz ULKQFWIEBKLCLI-OUAUKWLOSA-N 0 1 207.321 2.339 20 0 BEADMN CN(C)Cc1cccc(Nc2ccncn2)c1F ZINC001216226931 970996317 /nfs/dbraw/zinc/99/63/17/970996317.db2.gz HTPVLXAFSXGWDF-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN COc1cc(C)c(-c2cccc3nc[nH]c32)nn1 ZINC001243929955 971027771 /nfs/dbraw/zinc/02/77/71/971027771.db2.gz DDURYVFKWSHWFE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cn1cnc2c1cccc2C1=CNCCC1 ZINC001243949645 971037524 /nfs/dbraw/zinc/03/75/24/971037524.db2.gz GURYQPPBQNTJDR-UHFFFAOYSA-N 0 1 213.284 2.298 20 0 BEADMN CC[C@H]1CN(CC=C(Cl)Cl)C[C@H]1O ZINC000403787327 971040363 /nfs/dbraw/zinc/04/03/63/971040363.db2.gz ZOTDDQRVAAXURD-JGVFFNPUSA-N 0 1 224.131 2.008 20 0 BEADMN Fc1cc2nccnc2c(C2=CNCCC2)c1 ZINC001243952416 971052229 /nfs/dbraw/zinc/05/22/29/971052229.db2.gz OZAKUQYIFNYEHR-UHFFFAOYSA-N 0 1 229.258 2.493 20 0 BEADMN CC[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1O ZINC000403787326 971064832 /nfs/dbraw/zinc/06/48/32/971064832.db2.gz ZOTDDQRVAAXURD-HTQZYQBOSA-N 0 1 224.131 2.008 20 0 BEADMN C[C@@H]1C[C@@H](N2C[C@@H](F)C[C@H]2CF)C[C@H](C)O1 ZINC001257089814 971100454 /nfs/dbraw/zinc/10/04/54/971100454.db2.gz JCUQTDJZXDUGAM-OSUNSFLBSA-N 0 1 233.302 2.324 20 0 BEADMN CC(=O)c1cccc(-n2cnc(C)c2N)c1F ZINC001216498921 971099059 /nfs/dbraw/zinc/09/90/59/971099059.db2.gz RWBRWWIRCVJAAX-UHFFFAOYSA-N 0 1 233.246 2.105 20 0 BEADMN CCCCC=Nc1ncnc2c1ncn2C ZINC001210059897 1169516938 /nfs/dbraw/zinc/51/69/38/1169516938.db2.gz PSDVKUUBUDVNKF-AATRIKPKSA-N 0 1 217.276 2.089 20 0 BEADMN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)CC ZINC000585679244 973925207 /nfs/dbraw/zinc/92/52/07/973925207.db2.gz SYNAEONRWYFKSP-GMTAPVOTSA-N 0 1 242.319 2.079 20 0 BEADMN C[C@@H](CN1CCSCC1)C(F)(F)F ZINC000307184345 971132062 /nfs/dbraw/zinc/13/20/62/971132062.db2.gz QOHKDLZFVKSOIR-ZETCQYMHSA-N 0 1 213.268 2.234 20 0 BEADMN CCC[C@H](CC)NCc1ncc(F)cn1 ZINC001257244032 971139176 /nfs/dbraw/zinc/13/91/76/971139176.db2.gz JMEHVQQXMKCUDG-JTQLQIEISA-N 0 1 211.284 2.284 20 0 BEADMN CCC[C@@H](CC)N(C)CC(=O)OCC ZINC001257258618 971155101 /nfs/dbraw/zinc/15/51/01/971155101.db2.gz DZQCRBSCNSLRKP-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CCC[C@@H](CC)N1CCn2cncc2C1 ZINC001257264555 971165313 /nfs/dbraw/zinc/16/53/13/971165313.db2.gz OAVFCQHDOYMKTQ-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(C)ns1 ZINC000404476280 971165404 /nfs/dbraw/zinc/16/54/04/971165404.db2.gz RMLWQVXJTQNOPF-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)ns1 ZINC000404476280 971165415 /nfs/dbraw/zinc/16/54/15/971165415.db2.gz RMLWQVXJTQNOPF-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN COc1c(F)cc(Nc2cncn2C)cc1F ZINC001211250708 1169532071 /nfs/dbraw/zinc/53/20/71/1169532071.db2.gz NHEYKFVVBXBSSI-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN CC(=O)c1cccc(O)c1Nc1cncn1C ZINC001211251215 1169532151 /nfs/dbraw/zinc/53/21/51/1169532151.db2.gz BBTLPYSOMKJHIM-UHFFFAOYSA-N 0 1 231.255 2.072 20 0 BEADMN CCC(CC)N1CCN(C2CCCC2)C(=O)C1 ZINC001257299681 971183630 /nfs/dbraw/zinc/18/36/30/971183630.db2.gz MFOQWZOGGMSXAA-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN COC(=O)c1c(F)cccc1Nc1cncn1C ZINC001211251187 1169532776 /nfs/dbraw/zinc/53/27/76/1169532776.db2.gz ZDARXUKJLVXVBR-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN CCC(CC)N1CCN(CC(F)(F)F)CC1 ZINC001257301046 971187789 /nfs/dbraw/zinc/18/77/89/971187789.db2.gz NKDITEIRNKBUQU-UHFFFAOYSA-N 0 1 238.297 2.355 20 0 BEADMN CCC[C@@H](C)NC1(c2ncccn2)CC1 ZINC001257312480 971205068 /nfs/dbraw/zinc/20/50/68/971205068.db2.gz XJSNBWXJLCZJJT-SNVBAGLBSA-N 0 1 205.305 2.244 20 0 BEADMN CC(C)Oc1ccnc(CNC2CCCC2)n1 ZINC001257349607 971262896 /nfs/dbraw/zinc/26/28/96/971262896.db2.gz UMAYLRLPKABNHA-UHFFFAOYSA-N 0 1 235.331 2.296 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@@H](C)[C@H]2C)s1 ZINC000405543110 971268664 /nfs/dbraw/zinc/26/86/64/971268664.db2.gz JGOHGOPAJHJUDE-WCABBAIRSA-N 0 1 240.372 2.219 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@H](C)[C@@H]2C)s1 ZINC000405543109 971268922 /nfs/dbraw/zinc/26/89/22/971268922.db2.gz JGOHGOPAJHJUDE-IQJOONFLSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@@H](C)[NH2+]CC[P@](=O)([O-])O ZINC001257363283 971280495 /nfs/dbraw/zinc/28/04/95/971280495.db2.gz QECUZWRYJQELRF-SNVBAGLBSA-N 0 1 237.280 2.113 20 0 BEADMN CCSC[C@H](C)NCc1cc(C)no1 ZINC000308645244 971280483 /nfs/dbraw/zinc/28/04/83/971280483.db2.gz GXGZHWXDNLFKGQ-VIFPVBQESA-N 0 1 214.334 2.214 20 0 BEADMN CCCCCC[C@H](CC)N1CCNC(=O)C1 ZINC001170591486 971300730 /nfs/dbraw/zinc/30/07/30/971300730.db2.gz DUEHGWWYYFBKRW-LBPRGKRZSA-N 0 1 226.364 2.167 20 0 BEADMN CC(C)Cc1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217692171 971323817 /nfs/dbraw/zinc/32/38/17/971323817.db2.gz AYGMEJAABPXELQ-SECBINFHSA-N 0 1 235.287 2.104 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(C[C@@H](N)c2ccco2)o1 ZINC001217693523 971328802 /nfs/dbraw/zinc/32/88/02/971328802.db2.gz WMMWZPXPVMTYTM-DJLDLDEBSA-N 0 1 233.271 2.029 20 0 BEADMN CC[C@@H](C)NC1(c2ccc(OC)cc2)COC1 ZINC001257430596 971336552 /nfs/dbraw/zinc/33/65/52/971336552.db2.gz ZIICQUCVEOQLGC-LLVKDONJSA-N 0 1 235.327 2.309 20 0 BEADMN Cc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217694150 971330291 /nfs/dbraw/zinc/33/02/91/971330291.db2.gz ARLMANPVFUPYMS-JTQLQIEISA-N 0 1 215.256 2.079 20 0 BEADMN CC(C)CCc1nnc(C2(N)CCCC2)o1 ZINC001217694349 971332307 /nfs/dbraw/zinc/33/23/07/971332307.db2.gz HFZGATFYEOZMAC-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN C[C@@H]1CC[C@H](c2nnc(C3CC3)o2)NC1 ZINC001217702473 971346277 /nfs/dbraw/zinc/34/62/77/971346277.db2.gz KSKADMVCVNRDOQ-VXNVDRBHSA-N 0 1 207.277 2.008 20 0 BEADMN CCOC(=O)CN(CC)CCCC1CC1 ZINC000406057435 971351187 /nfs/dbraw/zinc/35/11/87/971351187.db2.gz KXUBXUFMHSETHY-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC[C@H](C)n1nc(COCC2CC2)c2c1CNC2 ZINC001257439977 971352407 /nfs/dbraw/zinc/35/24/07/971352407.db2.gz NIVBFGBJFMLUBD-JTQLQIEISA-N 0 1 249.358 2.384 20 0 BEADMN CC(C)C[C@@](C)(N)c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217734126 971354824 /nfs/dbraw/zinc/35/48/24/971354824.db2.gz SNIKZCAMXLCJCQ-YGOYTEALSA-N 0 1 223.320 2.413 20 0 BEADMN CC(C)C[C@@](C)(N)c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217734122 971355084 /nfs/dbraw/zinc/35/50/84/971355084.db2.gz SNIKZCAMXLCJCQ-KBVBSXBZSA-N 0 1 223.320 2.413 20 0 BEADMN CC[C@@H](C)n1nc(COCC2CC2)c2c1CNC2 ZINC001257439978 971355725 /nfs/dbraw/zinc/35/57/25/971355725.db2.gz NIVBFGBJFMLUBD-SNVBAGLBSA-N 0 1 249.358 2.384 20 0 BEADMN CCCCCCc1nnc([C@H]2CCN2)o1 ZINC001217717744 971357044 /nfs/dbraw/zinc/35/70/44/971357044.db2.gz DXGVFYHOQZEGLR-SECBINFHSA-N 0 1 209.293 2.227 20 0 BEADMN Clc1ccccc1Cc1nnc([C@H]2CCN2)o1 ZINC001217719258 971359944 /nfs/dbraw/zinc/35/99/44/971359944.db2.gz YGXJKRGJQZESOK-SNVBAGLBSA-N 0 1 249.701 2.348 20 0 BEADMN CCCCCCc1nnc([C@@H]2C=CCN2)o1 ZINC001217718251 971360727 /nfs/dbraw/zinc/36/07/27/971360727.db2.gz UHBMYJRRRGKNGY-JTQLQIEISA-N 0 1 221.304 2.393 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001217723638 971364589 /nfs/dbraw/zinc/36/45/89/971364589.db2.gz SYGLALPKJVIAIS-QEYWKRMJSA-N 0 1 223.320 2.500 20 0 BEADMN CC(C)Cc1nnc([C@](C)(N)C(C)C)o1 ZINC001217732849 971372469 /nfs/dbraw/zinc/37/24/69/971372469.db2.gz HRTOCGDXKNHCLM-LLVKDONJSA-N 0 1 211.309 2.098 20 0 BEADMN Cn1cc2c(n1)CC[N@@H+](C1CCCCC1)C2 ZINC001257458891 971382632 /nfs/dbraw/zinc/38/26/32/971382632.db2.gz GGWVYTXDMMUYAI-UHFFFAOYSA-N 0 1 219.332 2.111 20 0 BEADMN CCCCC[C@@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001257514889 971438713 /nfs/dbraw/zinc/43/87/13/971438713.db2.gz GSIJXVGFZMRICA-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1[nH]ncc1-c1nnc(C2CCCC2)o1 ZINC001257561213 971452632 /nfs/dbraw/zinc/45/26/32/971452632.db2.gz YUPDHMWLMBDBMA-UHFFFAOYSA-N 0 1 218.260 2.426 20 0 BEADMN c1ccc(C2(N[C@@H]3CCCSC3)COC2)cc1 ZINC001257659870 971459723 /nfs/dbraw/zinc/45/97/23/971459723.db2.gz QHWAHZUCFQLDEY-CYBMUJFWSA-N 0 1 249.379 2.397 20 0 BEADMN c1nc2c(s1)CN([C@@H]1CCCSC1)CC2 ZINC001257675597 971478277 /nfs/dbraw/zinc/47/82/77/971478277.db2.gz BRDHGJZENKNZBI-SECBINFHSA-N 0 1 240.397 2.397 20 0 BEADMN CCCN(CC(=O)OCC)[C@@H]1CCCSC1 ZINC001257679456 971486558 /nfs/dbraw/zinc/48/65/58/971486558.db2.gz DCYYVIUVYZSJJO-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN CN(Cc1ccno1)[C@H]1CCCSC1 ZINC001257683236 971490898 /nfs/dbraw/zinc/49/08/98/971490898.db2.gz MLERCWMPIPJSKE-VIFPVBQESA-N 0 1 212.318 2.002 20 0 BEADMN CC(C)(C)Cc1nnc(C23CCN(CC2)CC3)o1 ZINC001257861689 971508520 /nfs/dbraw/zinc/50/85/20/971508520.db2.gz PKTJDJARNGDMGE-UHFFFAOYSA-N 0 1 249.358 2.396 20 0 BEADMN Cc1ccccc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000037593481 948838858 /nfs/dbraw/zinc/83/88/58/948838858.db2.gz AWEQRDHENYYEGY-UHFFFAOYSA-N 0 1 233.311 2.434 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC(OC(C)C)CC1 ZINC001257875528 971516625 /nfs/dbraw/zinc/51/66/25/971516625.db2.gz XXZOBSNFWTTZFD-UHFFFAOYSA-N 0 1 241.399 2.207 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000058012151 948936574 /nfs/dbraw/zinc/93/65/74/948936574.db2.gz CYRSGLIHVKUYEB-SSDOTTSWSA-N 0 1 225.675 2.129 20 0 BEADMN COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)[O-] ZINC000083662938 949033051 /nfs/dbraw/zinc/03/30/51/949033051.db2.gz AOSQCFZDEPNUDZ-ZDUSSCGKSA-N 0 1 249.310 2.089 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000087773745 949096523 /nfs/dbraw/zinc/09/65/23/949096523.db2.gz KXCZEZMZBLASFW-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)CC[N@H+]([C@H](C(=O)[O-])C2CC2)CCS1 ZINC000231054110 949746476 /nfs/dbraw/zinc/74/64/76/949746476.db2.gz WEZYMTRQXLSRSD-JTQLQIEISA-N 0 1 243.372 2.067 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CC2CCC1CC2 ZINC000379759165 971658176 /nfs/dbraw/zinc/65/81/76/971658176.db2.gz AQSZXXFMKGRICE-UHFFFAOYSA-N 0 1 235.283 2.352 20 0 BEADMN Cc1cnc(CN)n1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170725288 971660048 /nfs/dbraw/zinc/66/00/48/971660048.db2.gz XUPWAUVGZKVUOP-RTCCRHLQSA-N 0 1 219.332 2.257 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218292665 971688676 /nfs/dbraw/zinc/68/86/76/971688676.db2.gz ZRRKVMWRTNHAIT-GBIKHYSHSA-N 0 1 249.358 2.259 20 0 BEADMN CN(Cc1ncccn1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739097 971689888 /nfs/dbraw/zinc/68/98/88/971689888.db2.gz NZHJAGIRLGHZQS-ZSBIGDGJSA-N 0 1 231.343 2.343 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1C[C@H](C)CC1(C)C ZINC000380452809 971700242 /nfs/dbraw/zinc/70/02/42/971700242.db2.gz MHXYAKPJFYJESC-HYHWUIIZSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1(OC)CCCCC1 ZINC000319375327 950956717 /nfs/dbraw/zinc/95/67/17/950956717.db2.gz YWVUCUBEOOEGHU-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N3CC4(C3)CCCO4)C[C@@H]21 ZINC001170747322 971717943 /nfs/dbraw/zinc/71/79/43/971717943.db2.gz RWOCLZWTNYBOAA-ZSBIGDGJSA-N 0 1 221.344 2.286 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2n[nH]c3c2CNCC3)[C@H]1C ZINC001218353970 971723690 /nfs/dbraw/zinc/72/36/90/971723690.db2.gz YXOFSVLPIFFPFZ-GBIKHYSHSA-N 0 1 249.358 2.259 20 0 BEADMN Cc1ccnc(CNc2cc(C(=O)[O-])cc[nH+]2)c1 ZINC000385854528 951285953 /nfs/dbraw/zinc/28/59/53/951285953.db2.gz VTFGUXZCKREWSY-UHFFFAOYSA-N 0 1 243.266 2.095 20 0 BEADMN Cn1cnc2c1CCN([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170759608 971732980 /nfs/dbraw/zinc/73/29/80/971732980.db2.gz CYYASNSUJSQJHF-CNDDSTCGSA-N 0 1 245.370 2.213 20 0 BEADMN Cn1cnc2c1CCN([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170759610 971734544 /nfs/dbraw/zinc/73/45/44/971734544.db2.gz CYYASNSUJSQJHF-ZSBIGDGJSA-N 0 1 245.370 2.213 20 0 BEADMN CCCC=Nc1ncnc(Cl)c1OC ZINC001170763489 971747628 /nfs/dbraw/zinc/74/76/28/971747628.db2.gz HRKYFEWKCOXKFV-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN CCC=CNc1ncnc2scnc21 ZINC001170763501 971748978 /nfs/dbraw/zinc/74/89/78/971748978.db2.gz ICEFYMPCMVBMCT-ONEGZZNKSA-N 0 1 206.274 2.422 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N3CCn4nccc4C3)C[C@@H]21 ZINC001170764358 971752829 /nfs/dbraw/zinc/75/28/29/971752829.db2.gz GXFXDUWCNQMZFX-CLLJXQQHSA-N 0 1 231.343 2.133 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCC1CC1 ZINC000397498827 951565742 /nfs/dbraw/zinc/56/57/42/951565742.db2.gz PVHLEWHHEGJEDU-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000399063979 951630257 /nfs/dbraw/zinc/63/02/57/951630257.db2.gz OUFLFOLMTJWERM-GRYCIOLGSA-N 0 1 248.326 2.185 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC=C(C)C1 ZINC000382505325 971818472 /nfs/dbraw/zinc/81/84/72/971818472.db2.gz VPNOGUCJJGMDFR-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN c1ccc(C2(N[C@@H]3CCCOCC3)COC2)cc1 ZINC001170790338 971825696 /nfs/dbraw/zinc/82/56/96/971825696.db2.gz RJLRPIHJEZRRFG-CQSZACIVSA-N 0 1 247.338 2.071 20 0 BEADMN COC[C@H](C)Oc1ccc(F)cc1CN(C)C ZINC001229853969 1169669231 /nfs/dbraw/zinc/66/92/31/1169669231.db2.gz JVZIHNXAPDHSQT-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)NCc1cocn1 ZINC001172323819 974532838 /nfs/dbraw/zinc/53/28/38/974532838.db2.gz DVVXFBZZCGAERK-MNOVXSKESA-N 0 1 226.320 2.358 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)NCc1ccon1 ZINC001172322501 974533160 /nfs/dbraw/zinc/53/31/60/974533160.db2.gz VBFKJNUJNUWNNB-GHMZBOCLSA-N 0 1 226.320 2.358 20 0 BEADMN CC[C@H](C)OCC[C@H](C)NCc1nonc1C ZINC001172322938 974533339 /nfs/dbraw/zinc/53/33/39/974533339.db2.gz ZHJRDAMPHGAZPF-UWVGGRQHSA-N 0 1 241.335 2.061 20 0 BEADMN C[C@@H]1CCN1Cc1cnc(-c2cccnc2)o1 ZINC001232133461 1169682585 /nfs/dbraw/zinc/68/25/85/1169682585.db2.gz ZXUOBOGGIHNSJL-SNVBAGLBSA-N 0 1 229.283 2.331 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000383618902 971881028 /nfs/dbraw/zinc/88/10/28/971881028.db2.gz QRWIZPJNYLUPHB-MFKMUULPSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1ccoc1C[N@H+](C)CC1(CC(=O)[O-])CC1 ZINC000383911508 971902181 /nfs/dbraw/zinc/90/21/81/971902181.db2.gz PIZHLXMAJKLDTO-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN CC(=O)OC1CN([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172372582 974571383 /nfs/dbraw/zinc/57/13/83/974571383.db2.gz FZGWFNJVYOQQAC-CKYFFXLPSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1nc2cncc(N[C@@H]3CCOC[C@H]3C)c2[nH]1 ZINC001170826769 971935638 /nfs/dbraw/zinc/93/56/38/971935638.db2.gz XTNDEAHTSAWHLR-PSASIEDQSA-N 0 1 246.314 2.103 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N(C)CC(C)=O ZINC001172333989 974598199 /nfs/dbraw/zinc/59/81/99/974598199.db2.gz BCKJXWPOXLSOBX-PWSUYJOCSA-N 0 1 215.337 2.101 20 0 BEADMN CC[N@@H+](Cc1ccncc1C)C(C)(C)C(=O)[O-] ZINC000384858707 971963216 /nfs/dbraw/zinc/96/32/16/971963216.db2.gz NOLQRTFMINFMNF-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1CCC(=O)[C@H](C)C1 ZINC001172338399 974604300 /nfs/dbraw/zinc/60/43/00/974604300.db2.gz MMVOCURUSOLOSD-AGIUHOORSA-N 0 1 241.375 2.491 20 0 BEADMN CC[C@@](N)(CO)Nc1c(C)cc(Cl)cc1C ZINC001170865492 971996705 /nfs/dbraw/zinc/99/67/05/971996705.db2.gz MZRHRHIIOUORGR-LBPRGKRZSA-N 0 1 242.750 2.426 20 0 BEADMN Cc1noc(C2CCN(Cc3ccc[nH]3)CC2)n1 ZINC000190595419 972037075 /nfs/dbraw/zinc/03/70/75/972037075.db2.gz XEUJJRYIQQJTGG-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1cc(Cl)ccc1-n1[nH]c(CO)cc1=O ZINC001245926541 972100097 /nfs/dbraw/zinc/10/00/97/972100097.db2.gz XEFWRLJNAADOBX-UHFFFAOYSA-N 0 1 238.674 2.032 20 0 BEADMN Fc1cccc2c1C[C@@H](NCc1ncco1)CC2 ZINC001170947854 972135414 /nfs/dbraw/zinc/13/54/14/972135414.db2.gz XZTNCPOFCSOCSN-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN NCc1nccn1[C@@H]1CCc2cccc(F)c2C1 ZINC001170948141 972135691 /nfs/dbraw/zinc/13/56/91/972135691.db2.gz DGDUJYBZMKNSHZ-LLVKDONJSA-N 0 1 245.301 2.211 20 0 BEADMN CC(C)c1ncc(C2=CCCN(C)C2)cn1 ZINC001241571795 1169732323 /nfs/dbraw/zinc/73/23/23/1169732323.db2.gz JODGIRVVKBFLTP-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN Cc1nnc(SCc2cnc(C)s2)[nH]1 ZINC000193865575 972237385 /nfs/dbraw/zinc/23/73/85/972237385.db2.gz NVBOKDUDQPAINS-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1n[nH]c(SCc2cnc(C)s2)n1 ZINC000193865575 972237393 /nfs/dbraw/zinc/23/73/93/972237393.db2.gz NVBOKDUDQPAINS-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1cnc(F)c(-n2c(N)nc3ccccc32)c1 ZINC001211496070 957058673 /nfs/dbraw/zinc/05/86/73/957058673.db2.gz LSRYUZSQCMGNDU-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN Cc1cnc(F)c(Nc2ccnc(CO)c2)c1 ZINC001211498330 957060266 /nfs/dbraw/zinc/06/02/66/957060266.db2.gz FRSVURDUDZPIDB-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN Cc1ccnc(Nc2nccnc2CN)c1Cl ZINC001160245514 972246061 /nfs/dbraw/zinc/24/60/61/972246061.db2.gz DBEJBVCKRWTSIA-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN CC1(CN2CCC23COC3)CCCCC1 ZINC001208897810 957225009 /nfs/dbraw/zinc/22/50/09/957225009.db2.gz FKCCUFAHOKAWGQ-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CC(C)[C@H](C)N(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000036788126 957235742 /nfs/dbraw/zinc/23/57/42/957235742.db2.gz JDKZAEVOTKVQBW-VIFPVBQESA-N 0 1 222.288 2.261 20 0 BEADMN COc1ccc2nc(-c3ccnc(C)n3)[nH]c2c1 ZINC000396902760 957351846 /nfs/dbraw/zinc/35/18/46/957351846.db2.gz GYGZAYWFNVMSAT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CSc1nccc(C[N@H+]2CCC[C@H]2C)n1 ZINC001140033303 957389436 /nfs/dbraw/zinc/38/94/36/957389436.db2.gz VUEPFNATRDCGNP-SECBINFHSA-N 0 1 223.345 2.183 20 0 BEADMN CSc1nccc(CN2CCC[C@H]2C)n1 ZINC001140033303 957389452 /nfs/dbraw/zinc/38/94/52/957389452.db2.gz VUEPFNATRDCGNP-SECBINFHSA-N 0 1 223.345 2.183 20 0 BEADMN C[C@H]1CCN(Cc2cncnc2)CCC1(F)F ZINC001137664022 972271886 /nfs/dbraw/zinc/27/18/86/972271886.db2.gz UGDWUNGIDYEBKS-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN Cc1cnn(C)c1Nc1ccc2nc[nH]c2c1 ZINC001209843911 957542482 /nfs/dbraw/zinc/54/24/82/957542482.db2.gz JFYVXGYRYOOJHB-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CCOc1ccnc(N2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001167216435 957549401 /nfs/dbraw/zinc/54/94/01/957549401.db2.gz UTCQBGYVPLSMFB-AAEUAGOBSA-N 0 1 248.326 2.096 20 0 BEADMN Cc1cnc(N2C[C@H]3[C@H](CF)[C@H]3C2)cc1C ZINC001167224775 957557853 /nfs/dbraw/zinc/55/78/53/957557853.db2.gz FWKLBBUNSDNMSA-CNDDSTCGSA-N 0 1 220.291 2.350 20 0 BEADMN CCCC(=O)NC[C@@H]1CCCN1C/C=C\Cl ZINC001266443525 957561963 /nfs/dbraw/zinc/56/19/63/957561963.db2.gz PCUPRIDDTVOSIX-IBHLPDHGSA-N 0 1 244.766 2.120 20 0 BEADMN Cc1cc(N)ncc1Nc1c(Cl)cnn1C ZINC001209965125 957586095 /nfs/dbraw/zinc/58/60/95/957586095.db2.gz MROCBQSFGPCCNU-UHFFFAOYSA-N 0 1 237.694 2.103 20 0 BEADMN Cc1cc(N)ncc1Nc1cncc(Cl)n1 ZINC001209968742 957589907 /nfs/dbraw/zinc/58/99/07/957589907.db2.gz XQQSMDMPOUMZCD-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(F)c(CO)c1 ZINC001209967417 957591267 /nfs/dbraw/zinc/59/12/67/957591267.db2.gz OHNMFZAFWSGFKM-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CNC(C)(C)c1nc(-c2cnc(C)cc2C)no1 ZINC000397412880 957625901 /nfs/dbraw/zinc/62/59/01/957625901.db2.gz WBOVNDQFNQUILG-UHFFFAOYSA-N 0 1 246.314 2.203 20 0 BEADMN Cc1cccc2c1CN(Cc1cnc[nH]1)C2 ZINC001136865967 972281727 /nfs/dbraw/zinc/28/17/27/972281727.db2.gz DZIQXKZOTLAZPO-UHFFFAOYSA-N 0 1 213.284 2.234 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)c(C)n2)no1 ZINC000316476307 972282451 /nfs/dbraw/zinc/28/24/51/972282451.db2.gz WKTWZNYJUQPHOM-VIFPVBQESA-N 0 1 232.287 2.029 20 0 BEADMN C[C@H]1CC[N@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136866365 972282767 /nfs/dbraw/zinc/28/27/67/972282767.db2.gz SSCIWAKOSBXTDK-VIFPVBQESA-N 0 1 229.274 2.277 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2c[nH]cn2)CCC1(F)F ZINC001136866365 972282770 /nfs/dbraw/zinc/28/27/70/972282770.db2.gz SSCIWAKOSBXTDK-VIFPVBQESA-N 0 1 229.274 2.277 20 0 BEADMN C[C@H]1CCN(Cc2c[nH]cn2)CCC1(F)F ZINC001136866365 972282775 /nfs/dbraw/zinc/28/27/75/972282775.db2.gz SSCIWAKOSBXTDK-VIFPVBQESA-N 0 1 229.274 2.277 20 0 BEADMN CCCc1[nH+]ccn1Cc1occc1C(=O)[O-] ZINC000070423663 957671500 /nfs/dbraw/zinc/67/15/00/957671500.db2.gz NHLTWXNNVSYNLZ-UHFFFAOYSA-N 0 1 234.255 2.175 20 0 BEADMN CCCc1[nH+]ccn1Cc1cc(C(=O)[O-])co1 ZINC000070423678 957672378 /nfs/dbraw/zinc/67/23/78/957672378.db2.gz JDAXDGGMNVMKNQ-UHFFFAOYSA-N 0 1 234.255 2.175 20 0 BEADMN CCCN(CCOC)Cc1cn2ccccc2n1 ZINC001136875143 972284308 /nfs/dbraw/zinc/28/43/08/972284308.db2.gz QOPYQHXEYKFWCU-UHFFFAOYSA-N 0 1 247.342 2.193 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C/C(C)=C/C(=O)[O-] ZINC000082604402 957797110 /nfs/dbraw/zinc/79/71/10/957797110.db2.gz OLEHMRHJVSAIOR-RJCSOLBVSA-N 0 1 211.305 2.282 20 0 BEADMN CSCCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000083417290 957824426 /nfs/dbraw/zinc/82/44/26/957824426.db2.gz LESIVYWPGODFEW-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1ccn2c(CN3CC=CC3)cnc2c1 ZINC001136885339 972295513 /nfs/dbraw/zinc/29/55/13/972295513.db2.gz QOFZGVGWKNZACB-UHFFFAOYSA-N 0 1 213.284 2.015 20 0 BEADMN Cc1ccn2c(CN3CC[C@@H]3C)cnc2c1 ZINC001136885047 972295580 /nfs/dbraw/zinc/29/55/80/972295580.db2.gz CQZUOQAQYFOTPM-NSHDSACASA-N 0 1 215.300 2.237 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC000083935158 957842623 /nfs/dbraw/zinc/84/26/23/957842623.db2.gz IRNXJCZNEGUXHA-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CC[N@@H+](Cc1scnc1C)C(C)(C)C(=O)[O-] ZINC000084149573 957863146 /nfs/dbraw/zinc/86/31/46/957863146.db2.gz NZYQMFBKDWIDJE-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN N[C@@H](C(=O)NC1(CC2CC2)CC1)c1ccccc1 ZINC001221212489 972300492 /nfs/dbraw/zinc/30/04/92/972300492.db2.gz LLOCCNGDSHTGBW-CYBMUJFWSA-N 0 1 244.338 2.135 20 0 BEADMN Cc1cc(C)cc(CN2CC3(C2)C[NH+](C)C3)c1 ZINC001204527812 957895933 /nfs/dbraw/zinc/89/59/33/957895933.db2.gz YYWQNPIVOZWSKU-UHFFFAOYSA-N 0 1 230.355 2.051 20 0 BEADMN C[C@H](NC(=O)[C@@](C)(N)c1ccccc1)C1(C)CC1 ZINC000706518367 957936990 /nfs/dbraw/zinc/93/69/90/957936990.db2.gz IQBXISGTWUQOPH-NHYWBVRUSA-N 0 1 246.354 2.165 20 0 BEADMN C[C@H](Cc1cccs1)[N@@H+](C)CCCC(=O)[O-] ZINC000086441081 957970364 /nfs/dbraw/zinc/97/03/64/957970364.db2.gz HQYZBRIYEDNYEN-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2cc(C)c(C)o2)C1 ZINC001204538958 958012245 /nfs/dbraw/zinc/01/22/45/958012245.db2.gz IUSRQMVOJQLECY-GFCCVEGCSA-N 0 1 221.300 2.307 20 0 BEADMN CCN1CCN(Cc2cc(C)c(C)o2)[C@H](C)C1 ZINC001204541339 958032938 /nfs/dbraw/zinc/03/29/38/958032938.db2.gz JQIIBKMQEFILRD-GFCCVEGCSA-N 0 1 236.359 2.422 20 0 BEADMN C[N@H+](Cc1ccncc1[O-])CC1CCC1 ZINC001140277546 958061702 /nfs/dbraw/zinc/06/17/02/958061702.db2.gz DGGXPTLWIVYSPJ-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CCN1CCN(c2ccc(F)c(F)c2)CC1 ZINC000167391522 958084445 /nfs/dbraw/zinc/08/44/45/958084445.db2.gz RKDICSUFLKSIRU-UHFFFAOYSA-N 0 1 226.270 2.107 20 0 BEADMN CCOC(=O)c1cnoc1Nc1ccoc1C ZINC001211238372 958095458 /nfs/dbraw/zinc/09/54/58/958095458.db2.gz XXUBGTRMJSGCMX-UHFFFAOYSA-N 0 1 236.227 2.496 20 0 BEADMN COC(=O)c1ccc(Nc2cncn2C)s1 ZINC001211245307 958102878 /nfs/dbraw/zinc/10/28/78/958102878.db2.gz LIUDDIFQZLBZAO-UHFFFAOYSA-N 0 1 237.284 2.012 20 0 BEADMN Cn1cncc1Nc1ccc(Cl)cn1 ZINC001211245018 958104396 /nfs/dbraw/zinc/10/43/96/958104396.db2.gz BBNONJMIDNVNOK-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN CC(C)c1nccnc1Nc1cncn1C ZINC001211248590 958107375 /nfs/dbraw/zinc/10/73/75/958107375.db2.gz PGFGHLLUBRPIBA-UHFFFAOYSA-N 0 1 217.276 2.077 20 0 BEADMN Cc1ccnc(F)c1Nc1cncn1C ZINC001211246851 958108348 /nfs/dbraw/zinc/10/83/48/958108348.db2.gz VPIMPWLXVRTKOR-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cn1cncc1Nc1cc(Cl)ncc1F ZINC001211245875 958110544 /nfs/dbraw/zinc/11/05/44/958110544.db2.gz VTWGNWQNKXSTPB-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN Cn1cncc1Nc1ccc2[nH]c(=O)sc2c1 ZINC001211249332 958113542 /nfs/dbraw/zinc/11/35/42/958113542.db2.gz OZLTVNGMTCSXOI-UHFFFAOYSA-N 0 1 246.295 2.479 20 0 BEADMN CCOc1ccc(N)cc1Nc1cncn1C ZINC001211249993 958113831 /nfs/dbraw/zinc/11/38/31/958113831.db2.gz COZVPTJUEIWTFV-UHFFFAOYSA-N 0 1 232.287 2.145 20 0 BEADMN Cc1cc(F)cc(Nc2cncn2C)c1O ZINC001211250071 958114085 /nfs/dbraw/zinc/11/40/85/958114085.db2.gz HBYNBMGTCWBBSH-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN Cn1cncc1Nc1snc2cccnc21 ZINC001211248303 958114776 /nfs/dbraw/zinc/11/47/76/958114776.db2.gz KXOKXMQSXPYDAY-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN COc1cccc(C)c1Nc1cncn1C ZINC001211249357 958114915 /nfs/dbraw/zinc/11/49/15/958114915.db2.gz PKNVDFACXFESSF-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN Cn1cncc1Nc1cncc(OC(F)F)c1 ZINC001211248391 958115962 /nfs/dbraw/zinc/11/59/62/958115962.db2.gz LITIMTFGBWQPGG-UHFFFAOYSA-N 0 1 240.213 2.160 20 0 BEADMN Cn1cncc1Nc1ccc2cnoc2c1 ZINC001211251982 958121114 /nfs/dbraw/zinc/12/11/14/958121114.db2.gz UAZHEVZJGLIXHX-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN CCN(Cc1ncc(C(F)(F)F)[nH]1)C1CC1 ZINC001137010317 972324443 /nfs/dbraw/zinc/32/44/43/972324443.db2.gz NIPVDAQCCFRVEA-UHFFFAOYSA-N 0 1 233.237 2.413 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000723141950 958167912 /nfs/dbraw/zinc/16/79/12/958167912.db2.gz GIZIAXMJDJDHME-QCNOEVLYSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H]1CCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137010506 972325094 /nfs/dbraw/zinc/32/50/94/972325094.db2.gz UKXDYXYUPBLPGP-SSDOTTSWSA-N 0 1 233.237 2.413 20 0 BEADMN C1=CCN(Cc2ccc3c(c2)COC3)C1 ZINC001137022055 972329200 /nfs/dbraw/zinc/32/92/00/972329200.db2.gz NRLPPGLFECXZFH-UHFFFAOYSA-N 0 1 201.269 2.089 20 0 BEADMN Nc1nccc(N[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC001348008727 958242465 /nfs/dbraw/zinc/24/24/65/958242465.db2.gz FJGIUZQCKSHWOK-RYUDHWBXSA-N 0 1 240.310 2.102 20 0 BEADMN c1cc(CN2CC3(CSC3)C2)cc2c1COC2 ZINC001137030710 972332825 /nfs/dbraw/zinc/33/28/25/972332825.db2.gz JBNKDEYCVQFJRW-UHFFFAOYSA-N 0 1 247.363 2.266 20 0 BEADMN Cc1nccc(CN2CCC3(CC(F)C3)CC2)n1 ZINC001207162814 958266779 /nfs/dbraw/zinc/26/67/79/958266779.db2.gz GCACMEUPPUFMCN-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN COc1ccc(CN2CC[C@](C)(CF)C2)cn1 ZINC001137031860 972334012 /nfs/dbraw/zinc/33/40/12/972334012.db2.gz LLBFAIVUVQTOHJ-CYBMUJFWSA-N 0 1 238.306 2.272 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000723138208 958299216 /nfs/dbraw/zinc/29/92/16/958299216.db2.gz OHDCATCTXIWOND-WISYIIOYSA-N 0 1 225.332 2.075 20 0 BEADMN COc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cn1 ZINC001137035719 972336556 /nfs/dbraw/zinc/33/65/56/972336556.db2.gz CYEFUWQVHOCCSV-SDDRHHMPSA-N 0 1 236.290 2.023 20 0 BEADMN CN(C(=O)c1c2[nH]cnc2ccc1F)C1CCC1 ZINC001137034907 972337318 /nfs/dbraw/zinc/33/73/18/972337318.db2.gz DZFHITMXZDKAFC-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN F[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@H]1F ZINC001137041236 972339292 /nfs/dbraw/zinc/33/92/92/972339292.db2.gz SHBVDBXBNXNFBP-NXEZZACHSA-N 0 1 237.253 2.055 20 0 BEADMN FC1(F)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC001137041162 972340573 /nfs/dbraw/zinc/34/05/73/972340573.db2.gz OSVKLXXQOMOTEN-UHFFFAOYSA-N 0 1 223.226 2.014 20 0 BEADMN COc1ccc(C[N@@H+](C)C/C(C)=C/C(=O)[O-])cc1 ZINC000111457690 958433715 /nfs/dbraw/zinc/43/37/15/958433715.db2.gz GGKGJDLHKCNBDU-DHZHZOJOSA-N 0 1 249.310 2.158 20 0 BEADMN CCN(Cc1nccn1C1CC1)C(C)C ZINC000891571615 958462616 /nfs/dbraw/zinc/46/26/16/958462616.db2.gz WBLFIWPWJHZCFL-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CC[C@H](C)[C@@H](C)Sc1nc(N)cc(N)n1 ZINC000318864771 972352006 /nfs/dbraw/zinc/35/20/06/972352006.db2.gz KDARBJGQYXHNKQ-NKWVEPMBSA-N 0 1 226.349 2.168 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccccc2)[nH]1 ZINC000197205422 972352025 /nfs/dbraw/zinc/35/20/25/972352025.db2.gz BUBZJDHJOIEQHP-UHFFFAOYSA-N 0 1 215.256 2.279 20 0 BEADMN Cc1[nH+]c(N(C)Cc2ccoc2)ccc1C(=O)[O-] ZINC000124195833 958520999 /nfs/dbraw/zinc/52/09/99/958520999.db2.gz VCEXQNZKIMUMLA-UHFFFAOYSA-N 0 1 246.266 2.318 20 0 BEADMN CCOC1CCC(N2CCC(=O)[C@@H](C)C2)CC1 ZINC000707469872 958539731 /nfs/dbraw/zinc/53/97/31/958539731.db2.gz OWXIWGJDSCERAR-HIFPTAJRSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1c[nH]c(CNC2C(C)(C)C2(C)C)n1 ZINC000693484504 958558586 /nfs/dbraw/zinc/55/85/86/958558586.db2.gz WROPEBLJGJODHW-UHFFFAOYSA-N 0 1 207.321 2.242 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CCN(C)CC1 ZINC001143756891 972361926 /nfs/dbraw/zinc/36/19/26/972361926.db2.gz HXHBXROREVBZSW-UHFFFAOYSA-N 0 1 240.297 2.021 20 0 BEADMN CSCC[C@H](C)NCc1ncc(C)cn1 ZINC000707945255 958862564 /nfs/dbraw/zinc/86/25/64/958862564.db2.gz VRNLQALELOOFIS-JTQLQIEISA-N 0 1 225.361 2.016 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC[C@H](C)C2)n1 ZINC000707915446 958811394 /nfs/dbraw/zinc/81/13/94/958811394.db2.gz ILLIOZCNHQEUHG-JQWIXIFHSA-N 0 1 219.332 2.453 20 0 BEADMN Cc1nc[nH]c1CN1CC(c2ccccc2)C1 ZINC001204588570 958913970 /nfs/dbraw/zinc/91/39/70/958913970.db2.gz AIUPXASQJLMVKO-UHFFFAOYSA-N 0 1 227.311 2.318 20 0 BEADMN Cc1nc[nH]c1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001204588878 958922654 /nfs/dbraw/zinc/92/26/54/958922654.db2.gz MXUBJAQGMFCHFH-SNVBAGLBSA-N 0 1 247.264 2.287 20 0 BEADMN Cn1cncc1Nc1ccc(Cl)cc1N ZINC001213646907 959042266 /nfs/dbraw/zinc/04/22/66/959042266.db2.gz WCIYTVFBEPIDSB-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN CCC1(C(=O)OCc2nnc[nH]2)CCCCC1 ZINC001327106062 972407927 /nfs/dbraw/zinc/40/79/27/972407927.db2.gz ZNWCERKAEFYKIT-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCSCC1 ZINC000162068416 959205369 /nfs/dbraw/zinc/20/53/69/959205369.db2.gz MXEHUZSYCARWHP-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000405689573 959491795 /nfs/dbraw/zinc/49/17/95/959491795.db2.gz MLWCCXLZYXTWIE-CQSZACIVSA-N 0 1 232.327 2.191 20 0 BEADMN COc1ccc(CCOC2CN(C(C)C)C2)cc1 ZINC001222303905 972434593 /nfs/dbraw/zinc/43/45/93/972434593.db2.gz BUHOBTVOUMKMIL-UHFFFAOYSA-N 0 1 249.354 2.347 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@H]2NCCC[C@@H]2C)o1 ZINC001217701341 959554952 /nfs/dbraw/zinc/55/49/52/959554952.db2.gz DGXWQYMLKYBZBR-JXUBOQSCSA-N 0 1 221.304 2.254 20 0 BEADMN Cc1nn(C)c(C)c1N[C@H]1CCCc2cn[nH]c21 ZINC001351283449 959587603 /nfs/dbraw/zinc/58/76/03/959587603.db2.gz KEVHLRWJKCGIKU-NSHDSACASA-N 0 1 245.330 2.250 20 0 BEADMN CC(C)(O)CCCOC1CN(C(C)(C)C)C1 ZINC001217829249 959621625 /nfs/dbraw/zinc/62/16/25/959621625.db2.gz HQVWQYRLOUNDBK-UHFFFAOYSA-N 0 1 229.364 2.037 20 0 BEADMN Cc1cc2cc(-n3cncc3N)ccc2[nH]1 ZINC001213787422 959634290 /nfs/dbraw/zinc/63/42/90/959634290.db2.gz ZIRULGYOCWIVRL-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN C[C@@H]1CC[C@@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000309172284 959697898 /nfs/dbraw/zinc/69/78/98/959697898.db2.gz AUOBOJWNAXAUND-RITPCOANSA-N 0 1 237.694 2.217 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCc2sccc2C1 ZINC000215639660 959756986 /nfs/dbraw/zinc/75/69/86/959756986.db2.gz JBLAKVLANZEEIW-TWGQIWQCSA-N 0 1 237.324 2.137 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)C1CCCCC1 ZINC000215689798 959760920 /nfs/dbraw/zinc/76/09/20/959760920.db2.gz ZYCBOWKCYPIOAH-NTMALXAHSA-N 0 1 211.305 2.282 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721607124 959823634 /nfs/dbraw/zinc/82/36/34/959823634.db2.gz YMLCGGFYDCGHEO-GWCFXTLKSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000224991500 959858519 /nfs/dbraw/zinc/85/85/19/959858519.db2.gz RKLDUMPFRGJCBH-KGYLQXTDSA-N 0 1 233.311 2.400 20 0 BEADMN CC[C@H](C)OC1CCN(CCF)CC1 ZINC001204620850 959902647 /nfs/dbraw/zinc/90/26/47/959902647.db2.gz FSWGCKPEZXFTEI-JTQLQIEISA-N 0 1 203.301 2.235 20 0 BEADMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cccnc1 ZINC000228156621 959995737 /nfs/dbraw/zinc/99/57/37/959995737.db2.gz FNIJTNXDUOMQAO-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000228160976 959996006 /nfs/dbraw/zinc/99/60/06/959996006.db2.gz BMMIDTXGEOPKON-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cccnc1 ZINC000228156612 959996075 /nfs/dbraw/zinc/99/60/75/959996075.db2.gz FNIJTNXDUOMQAO-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN CCC[C@@H](N)c1cc([C@H]2CCCO2)no1 ZINC000694880010 960021919 /nfs/dbraw/zinc/02/19/19/960021919.db2.gz KPHDXTFYAXGMCT-PSASIEDQSA-N 0 1 210.277 2.326 20 0 BEADMN CCCN(CCNC(=O)C(C)C)C[C@H](F)CC ZINC001481130208 960120537 /nfs/dbraw/zinc/12/05/37/960120537.db2.gz CRIOEHYEBKBFRT-GFCCVEGCSA-N 0 1 246.370 2.219 20 0 BEADMN Cc1ccoc1COC(=O)C12CCCN1CCC2 ZINC001327190280 972485589 /nfs/dbraw/zinc/48/55/89/972485589.db2.gz YNUDXAVGOSCTMH-UHFFFAOYSA-N 0 1 249.310 2.260 20 0 BEADMN Cc1cnccc1C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000395371391 960236972 /nfs/dbraw/zinc/23/69/72/960236972.db2.gz NPOJKIRXXALCJT-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CO[C@@H]1CCC[C@@H]1C(=O)NOCc1ccccc1 ZINC001353379294 960292619 /nfs/dbraw/zinc/29/26/19/960292619.db2.gz YBCWSZPGHUWCTP-QWHCGFSZSA-N 0 1 249.310 2.050 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)C[C@H]1c1ccccc1 ZINC000173519752 960349196 /nfs/dbraw/zinc/34/91/96/960349196.db2.gz FUQVHIDJHGDXQO-OCCSQVGLSA-N 0 1 244.338 2.402 20 0 BEADMN C[C@@H]1CCCN1Cn1c2ccccc2oc1=O ZINC000173521932 960355255 /nfs/dbraw/zinc/35/52/55/960355255.db2.gz SPCNDZPIBQVRPV-SNVBAGLBSA-N 0 1 232.283 2.036 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235256085 960403468 /nfs/dbraw/zinc/40/34/68/960403468.db2.gz GCGKQHUJUPOAEZ-SNVBAGLBSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000235366082 960423782 /nfs/dbraw/zinc/42/37/82/960423782.db2.gz IHAJVEVEJUBUPV-LERXQTSPSA-N 0 1 245.322 2.326 20 0 BEADMN Cc1nn(C)c(C)c1CN1CC2(CCC2)C1 ZINC001203051720 960462430 /nfs/dbraw/zinc/46/24/30/960462430.db2.gz GJLWWJNJZUXBCN-UHFFFAOYSA-N 0 1 219.332 2.023 20 0 BEADMN O=C1CCN(Cc2cc[nH]c2)[C@@H]2CCCC[C@H]12 ZINC001140704955 960514305 /nfs/dbraw/zinc/51/43/05/960514305.db2.gz QXBUJGGDMCPCIK-QWHCGFSZSA-N 0 1 232.327 2.348 20 0 BEADMN OC1CC2(C1)CN(Cc1coc3ccccc13)C2 ZINC001140782698 960572571 /nfs/dbraw/zinc/57/25/71/960572571.db2.gz QIZLARUPCDJPGU-UHFFFAOYSA-N 0 1 243.306 2.390 20 0 BEADMN Cc1cccc2c1nc(N)n2/C=C/C(C)(C)O ZINC001203210077 960575196 /nfs/dbraw/zinc/57/51/96/960575196.db2.gz UUMKXXIWVOTRQZ-BQYQJAHWSA-N 0 1 231.299 2.169 20 0 BEADMN CO[C@@H](c1nc([C@H](N)C(C)C)no1)C1CCC1 ZINC000692753240 960595729 /nfs/dbraw/zinc/59/57/29/960595729.db2.gz UJMIYNVRWQDDRF-NXEZZACHSA-N 0 1 239.319 2.213 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C)[C@@H](F)C2)c1C ZINC001140858991 960631758 /nfs/dbraw/zinc/63/17/58/960631758.db2.gz QVBWCWBMOMXPAX-KOLCDFICSA-N 0 1 210.296 2.421 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)[nH]n1 ZINC001203072875 960640869 /nfs/dbraw/zinc/64/08/69/960640869.db2.gz TYWGIQPKLUUHBA-AOOOYVTPSA-N 0 1 241.285 2.195 20 0 BEADMN Cc1cc(CNc2nc(C)ccc2C)nn1C ZINC001167766956 960703770 /nfs/dbraw/zinc/70/37/70/960703770.db2.gz XRIUTHQDARMUFH-UHFFFAOYSA-N 0 1 230.315 2.352 20 0 BEADMN C[N@@H+](CCc1ccc(F)cc1)Cc1cnco1 ZINC001140932697 960712634 /nfs/dbraw/zinc/71/26/34/960712634.db2.gz XAPAENAQCJHJJW-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1cnco1 ZINC001140932697 960712637 /nfs/dbraw/zinc/71/26/37/960712637.db2.gz XAPAENAQCJHJJW-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001327279242 972528317 /nfs/dbraw/zinc/52/83/17/972528317.db2.gz ONAUWINUZOVPSK-VHSXEESVSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC001327279242 972528332 /nfs/dbraw/zinc/52/83/32/972528332.db2.gz ONAUWINUZOVPSK-VHSXEESVSA-N 0 1 248.330 2.303 20 0 BEADMN Cc1nccnc1CN1CC(c2ccccc2)C1 ZINC001140937985 960727775 /nfs/dbraw/zinc/72/77/75/960727775.db2.gz NQKRLIPMNBFCNP-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN Cc1cc(C[N@H+](C)CC2CC(F)(F)C2)n[nH]1 ZINC001203082543 960768202 /nfs/dbraw/zinc/76/82/02/960768202.db2.gz UIWDZJPJOKRIHA-UHFFFAOYSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN2Cc3cnc(Cl)cc3C2)n[nH]1 ZINC001203083675 960770175 /nfs/dbraw/zinc/77/01/75/960770175.db2.gz KDVNHDDWAVJGEA-UHFFFAOYSA-N 0 1 248.717 2.282 20 0 BEADMN Cc1ncoc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001141051871 960846673 /nfs/dbraw/zinc/84/66/73/960846673.db2.gz UKELHTMSWNMLHX-AOOOYVTPSA-N 0 1 242.269 2.460 20 0 BEADMN CCCCc1ncc(CN2CC[C@H](F)C2)[nH]1 ZINC001141067392 960859796 /nfs/dbraw/zinc/85/97/96/960859796.db2.gz AMUAZNIYVBTCJH-JTQLQIEISA-N 0 1 225.311 2.296 20 0 BEADMN CCCCc1ncc(CN2CCC(=O)C[C@@H]2C)[nH]1 ZINC001141068115 960861067 /nfs/dbraw/zinc/86/10/67/960861067.db2.gz YULLDXBGXIWNAU-NSHDSACASA-N 0 1 249.358 2.306 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1cocn1 ZINC001141129317 960874390 /nfs/dbraw/zinc/87/43/90/960874390.db2.gz GNSMNOLYFPQWOE-NSHDSACASA-N 0 1 224.304 2.064 20 0 BEADMN c1nc(CN2CCC[C@H]2Cc2ccccn2)co1 ZINC001141129929 960876968 /nfs/dbraw/zinc/87/69/68/960876968.db2.gz WYZNEARDXCJCOF-AWEZNQCLSA-N 0 1 243.310 2.277 20 0 BEADMN C(O[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1nn[nH]n1 ZINC001223027487 960962876 /nfs/dbraw/zinc/96/28/76/960962876.db2.gz POCBWXHPMBETOZ-MXWKQRLJSA-N 0 1 236.319 2.075 20 0 BEADMN C[C@H](O)CN(Cc1cccc(Cl)n1)C1CC1 ZINC000691348785 961033049 /nfs/dbraw/zinc/03/30/49/961033049.db2.gz IJPZYANCVYZGON-VIFPVBQESA-N 0 1 240.734 2.080 20 0 BEADMN O=C(C=C1CCC1)Nc1n[nH]c2cc(O)ccc21 ZINC001141302349 961042081 /nfs/dbraw/zinc/04/20/81/961042081.db2.gz ZVECKMXLZJBBCJ-UHFFFAOYSA-N 0 1 243.266 2.317 20 0 BEADMN Cn1ccc2c1nccc2NC1(CO)CCCC1 ZINC001167805618 961073228 /nfs/dbraw/zinc/07/32/28/961073228.db2.gz AZFXKEFQPNNHMT-UHFFFAOYSA-N 0 1 245.326 2.290 20 0 BEADMN OCC1(Nc2ccc3nc[nH]c3c2)CCCC1 ZINC001167807432 961078989 /nfs/dbraw/zinc/07/89/89/961078989.db2.gz USXGIPDHQCKGCC-UHFFFAOYSA-N 0 1 231.299 2.280 20 0 BEADMN C[C@@H]1CCN(Cc2cn3c(n2)COCC3)[C@@H](C)C1 ZINC001141534851 961101422 /nfs/dbraw/zinc/10/14/22/961101422.db2.gz DOMBRCSTEPKXSS-NEPJUHHUSA-N 0 1 249.358 2.034 20 0 BEADMN CC1(NC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000228869796 961136863 /nfs/dbraw/zinc/13/68/63/961136863.db2.gz VYZWCUVXKVLPBL-UHFFFAOYSA-N 0 1 225.675 2.328 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@H]1CCCC[C@H]1C ZINC000249846877 961205158 /nfs/dbraw/zinc/20/51/58/961205158.db2.gz WCDYDOQMPWEUJE-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)n1ccnc1CNC[C@@H]1CCC=CO1 ZINC000692888903 961179813 /nfs/dbraw/zinc/17/98/13/961179813.db2.gz APFPTTNIPWOXEG-LBPRGKRZSA-N 0 1 235.331 2.246 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251716487 961256844 /nfs/dbraw/zinc/25/68/44/961256844.db2.gz DPRXKDYEAOEIRF-HBNTYKKESA-N 0 1 245.388 2.313 20 0 BEADMN CCN(Cc1c[nH]nn1)Cc1ccc(C)c(C)c1 ZINC001203211505 961306607 /nfs/dbraw/zinc/30/66/07/961306607.db2.gz GSOZRLXBFGYVCE-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN CCc1cc(CN2CCC(C)(OC)CC2)on1 ZINC001203211660 961312737 /nfs/dbraw/zinc/31/27/37/961312737.db2.gz GJGCRIUKCBEUAH-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCCCC[N@@H+](C)C(C)(C)CC(=O)[O-] ZINC000259221005 961374679 /nfs/dbraw/zinc/37/46/79/961374679.db2.gz AUUQSFNWHCTENI-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN CCOC(=O)Cc1nc2ccc(OCC)cc2[nH]1 ZINC001250591856 1169788222 /nfs/dbraw/zinc/78/82/22/1169788222.db2.gz AZJVXLQFJWKNKV-UHFFFAOYSA-N 0 1 248.282 2.067 20 0 BEADMN CCOC(=O)CN(C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC1 ZINC001207632907 961423776 /nfs/dbraw/zinc/42/37/76/961423776.db2.gz VKBZMWMKJQMXMO-YNEHKIRRSA-N 0 1 249.354 2.226 20 0 BEADMN CCCN(C)Cc1cnc(Cl)nc1NC ZINC001142473546 961447048 /nfs/dbraw/zinc/44/70/48/961447048.db2.gz OWFNMCDHQPDUBT-UHFFFAOYSA-N 0 1 228.727 2.014 20 0 BEADMN CNc1nc(Cl)ncc1CN(C)CC(C)C ZINC001142473459 961451342 /nfs/dbraw/zinc/45/13/42/961451342.db2.gz KTIUXDDAODXZNE-UHFFFAOYSA-N 0 1 242.754 2.260 20 0 BEADMN C[C@@]1(C(=O)Nc2cccnc2CN)CC=CCC1 ZINC001142552094 961487749 /nfs/dbraw/zinc/48/77/49/961487749.db2.gz NMOGIDHQRLPLRW-CQSZACIVSA-N 0 1 245.326 2.225 20 0 BEADMN Cc1cccc2nc(NC(=O)C3=COCC3)[nH]c21 ZINC001142550087 961488597 /nfs/dbraw/zinc/48/85/97/961488597.db2.gz HNCLXPAVRKBJEQ-UHFFFAOYSA-N 0 1 243.266 2.114 20 0 BEADMN Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3C[C@H]3C1)C(=O)N2 ZINC001167891300 961492979 /nfs/dbraw/zinc/49/29/79/961492979.db2.gz MBCXZAQKLQCNGG-FBKDDSFISA-N 0 1 242.322 2.376 20 0 BEADMN F[C@@H]1CN(Cc2cccc3[nH]cnc32)C[C@@H]2C[C@@H]21 ZINC001142676826 961603334 /nfs/dbraw/zinc/60/33/34/961603334.db2.gz ROMCAQCZHMNQPU-SDDRHHMPSA-N 0 1 245.301 2.353 20 0 BEADMN F[C@H]1CCN(Cc2cccc3[nH]cnc32)C1 ZINC001142676860 961605078 /nfs/dbraw/zinc/60/50/78/961605078.db2.gz UCPJMOWRWXXGDX-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN FC[C@H]1CCC[N@H+]1Cc1cccc2[nH]cnc21 ZINC001142696752 961638385 /nfs/dbraw/zinc/63/83/85/961638385.db2.gz SQMRUYODMDHSFL-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H](NCCOc1ccccc1F)c1ncc[nH]1 ZINC000285528514 961713617 /nfs/dbraw/zinc/71/36/17/961713617.db2.gz FIVCMUYWSZNHTQ-SNVBAGLBSA-N 0 1 249.289 2.278 20 0 BEADMN CC(C)=C(C)CC(=O)NC1CN(CC(C)C)C1 ZINC001268436926 961774600 /nfs/dbraw/zinc/77/46/00/961774600.db2.gz FVRSHYIHKPQMBC-UHFFFAOYSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1CN(Cc2cccn3ccnc23)C[C@@H]1F ZINC001142944301 961845631 /nfs/dbraw/zinc/84/56/31/961845631.db2.gz JPCQPCKUDDTRKQ-PWSUYJOCSA-N 0 1 233.290 2.124 20 0 BEADMN F[C@@H]1CN(Cc2cccn3ccnc23)C[C@@H]2C[C@@H]21 ZINC001142948797 961848629 /nfs/dbraw/zinc/84/86/29/961848629.db2.gz ULKDBNJLWIRXNZ-RWMBFGLXSA-N 0 1 245.301 2.124 20 0 BEADMN FC[C@H]1CCCN1Cc1cccn2ccnc12 ZINC001142962054 961857135 /nfs/dbraw/zinc/85/71/35/961857135.db2.gz CRWRQXRZZAPCQM-GFCCVEGCSA-N 0 1 233.290 2.268 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccc2n[nH]cc21 ZINC001143101964 961881720 /nfs/dbraw/zinc/88/17/20/961881720.db2.gz RAEFFFUKAXAIAM-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN Fc1ccc(C2(N[C@H]3C[C@H]4C[C@H]4C3)COC2)cc1 ZINC001167918553 961909020 /nfs/dbraw/zinc/90/90/20/961909020.db2.gz WFVLXNZGQKDUKN-YABSGUDNSA-N 0 1 247.313 2.439 20 0 BEADMN C[C@H]1CN(Cc2cc3cccnc3[nH]2)CCCO1 ZINC001143212512 961954380 /nfs/dbraw/zinc/95/43/80/961954380.db2.gz UDVDZVXJTOSIOH-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN C[C@@H]1CN(Cc2cc3cccnc3[nH]2)CCCO1 ZINC001143212511 961956720 /nfs/dbraw/zinc/95/67/20/961956720.db2.gz UDVDZVXJTOSIOH-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CC[C@H](CC)C1 ZINC000092930819 962043883 /nfs/dbraw/zinc/04/38/83/962043883.db2.gz ZMUMVDHJQLHFTL-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CC1CC(N(C)C(=O)c2ccn3cncc3c2)C1 ZINC001151896887 962353968 /nfs/dbraw/zinc/35/39/68/962353968.db2.gz JRARHRLSNMNTJW-UHFFFAOYSA-N 0 1 243.310 2.205 20 0 BEADMN CC/C=C(/C)C(=O)NC[C@@H](C)N(CC)CCF ZINC001152188225 962400962 /nfs/dbraw/zinc/40/09/62/962400962.db2.gz FVVONFWXZDDKOM-SEVUFMINSA-N 0 1 244.354 2.139 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(O)cn1 ZINC000132747804 962472942 /nfs/dbraw/zinc/47/29/42/962472942.db2.gz GOBBCFIEXRTSAO-ZDUSSCGKSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@H](CC(=O)N1CC(N(C)C)C1)C(C)(C)C ZINC001153181615 962546072 /nfs/dbraw/zinc/54/60/72/962546072.db2.gz OGOZGLMESPNEAP-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCCN1CCN(C(=O)C2CCC2)CC1 ZINC000240659727 962638670 /nfs/dbraw/zinc/63/86/70/962638670.db2.gz AHTYYHWNJGTQBP-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CN(Cc1cscn1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167951217 962660820 /nfs/dbraw/zinc/66/08/20/962660820.db2.gz HZYLFWKNAGCYRO-JZYVYDRUSA-N 0 1 208.330 2.373 20 0 BEADMN CCCCCN1CCN(C(=O)CC(C)C)CC1 ZINC000242649680 962740912 /nfs/dbraw/zinc/74/09/12/962740912.db2.gz CRIBXVNJVLSPRR-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1cnc(NC[C@H](O)c2ccco2)c(C)c1 ZINC001154875702 962880101 /nfs/dbraw/zinc/88/01/01/962880101.db2.gz ROZOZEDOXOJPBL-NSHDSACASA-N 0 1 232.283 2.437 20 0 BEADMN C[C@H](Oc1nc(C(F)(F)F)cc(=O)[nH]1)C1CC1 ZINC001225979153 962942591 /nfs/dbraw/zinc/94/25/91/962942591.db2.gz CHJGUKJOUUGCJV-YFKPBYRVSA-N 0 1 248.204 2.378 20 0 BEADMN Cc1nc2cnc(NC(=N)C(C)(C)C)nc2[nH]1 ZINC001155180460 963008551 /nfs/dbraw/zinc/00/85/51/963008551.db2.gz ZRSFSHLKTUCPQJ-UHFFFAOYSA-N 0 1 232.291 2.048 20 0 BEADMN Cc1nc2nc(NC(=N)C(C)(C)C)ncc2[nH]1 ZINC001155180460 963008564 /nfs/dbraw/zinc/00/85/64/963008564.db2.gz ZRSFSHLKTUCPQJ-UHFFFAOYSA-N 0 1 232.291 2.048 20 0 BEADMN Cc1cccc(CN2CCC(F)(F)[C@H](N)C2)c1 ZINC001206655343 963079903 /nfs/dbraw/zinc/07/99/03/963079903.db2.gz HKOSVVHMETXUMG-GFCCVEGCSA-N 0 1 240.297 2.163 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCO[C@@H](CC)C1 ZINC000304158316 963116340 /nfs/dbraw/zinc/11/63/40/963116340.db2.gz KLLNZINATKAWBM-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569936 963151313 /nfs/dbraw/zinc/15/13/13/963151313.db2.gz HUEJGHOJGUIRBB-DTWKUNHWSA-N 0 1 241.287 2.006 20 0 BEADMN CO[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000304569934 963151688 /nfs/dbraw/zinc/15/16/88/963151688.db2.gz HUEJGHOJGUIRBB-BDAKNGLRSA-N 0 1 241.287 2.006 20 0 BEADMN O=c1ccnc(O[C@@H]2CCc3ccccc3C2)[nH]1 ZINC001226326989 963156259 /nfs/dbraw/zinc/15/62/59/963156259.db2.gz PFRJBLXSKFOXLQ-GFCCVEGCSA-N 0 1 242.278 2.119 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@H](F)[C@@H](O)C2)c1 ZINC001143580759 963168738 /nfs/dbraw/zinc/16/87/38/963168738.db2.gz VELPOHHPGDDQEW-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1cccc2cncn21 ZINC001155800350 963172533 /nfs/dbraw/zinc/17/25/33/963172533.db2.gz XHNWKBMOGKYRIC-LBPRGKRZSA-N 0 1 241.294 2.007 20 0 BEADMN CN(C(=O)c1cccc2cncn21)C(C)(C)C ZINC001155794357 963175380 /nfs/dbraw/zinc/17/53/80/963175380.db2.gz VFKJRHWWIIJMHM-UHFFFAOYSA-N 0 1 231.299 2.205 20 0 BEADMN COc1ccnc(N2C[C@H](C)CC23CC3)c1 ZINC001156401732 963329735 /nfs/dbraw/zinc/32/97/35/963329735.db2.gz KKWTVZBBFAUHLY-SNVBAGLBSA-N 0 1 218.300 2.469 20 0 BEADMN CC(C)C[C@H](C)Cn1cc(CNC(C)C)nn1 ZINC000302387944 963365430 /nfs/dbraw/zinc/36/54/30/963365430.db2.gz QJHWVRBSOBGVRZ-LBPRGKRZSA-N 0 1 238.379 2.458 20 0 BEADMN CSc1ccc(CNC2([C@@H](C)O)CC2)o1 ZINC000895335450 963410990 /nfs/dbraw/zinc/41/09/90/963410990.db2.gz MHTZEYLQDYETBB-MRVPVSSYSA-N 0 1 227.329 2.005 20 0 BEADMN Cc1cnc(N[C@](C)(C(N)=O)C(C)C)cc1C ZINC001156651386 963427890 /nfs/dbraw/zinc/42/78/90/963427890.db2.gz MCLJMFRDRXFTLE-ZDUSSCGKSA-N 0 1 235.331 2.010 20 0 BEADMN Nc1cc(CNc2ccc3c(n2)CCC3)ccn1 ZINC001156756014 963455097 /nfs/dbraw/zinc/45/50/97/963455097.db2.gz NUKIGVMOKRAVMF-UHFFFAOYSA-N 0 1 240.310 2.160 20 0 BEADMN CCCN(C)c1nc(C)cc(N(C)CC)n1 ZINC001156872308 963477035 /nfs/dbraw/zinc/47/70/35/963477035.db2.gz SKDOHPCBPCAKLS-UHFFFAOYSA-N 0 1 222.336 2.087 20 0 BEADMN Cc1cnc(NC2(CO)CCCC2)cc1C ZINC001157008402 963513036 /nfs/dbraw/zinc/51/30/36/963513036.db2.gz JHORDMCQMGSTTG-UHFFFAOYSA-N 0 1 220.316 2.415 20 0 BEADMN CC[C@@H](C)Nc1nc(Cl)nc2[nH]c(C)nc21 ZINC001157230196 963557243 /nfs/dbraw/zinc/55/72/43/963557243.db2.gz KPFRUUZYLBEQRF-RXMQYKEDSA-N 0 1 239.710 2.477 20 0 BEADMN CC[C@H](C)Nc1nc(Cl)nc2[nH]c(C)nc21 ZINC001157230201 963557908 /nfs/dbraw/zinc/55/79/08/963557908.db2.gz KPFRUUZYLBEQRF-YFKPBYRVSA-N 0 1 239.710 2.477 20 0 BEADMN CCC[C@@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806856 963595254 /nfs/dbraw/zinc/59/52/54/963595254.db2.gz OTBJYXZJLBFTRH-SSDOTTSWSA-N 0 1 221.260 2.231 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806399 963595554 /nfs/dbraw/zinc/59/55/54/963595554.db2.gz IMRDONZQPNOKRU-IONNQARKSA-N 0 1 233.271 2.231 20 0 BEADMN C[C@H]1CC[C@@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806425 963596181 /nfs/dbraw/zinc/59/61/81/963596181.db2.gz JFAKTQOTENFXBE-JGVFFNPUSA-N 0 1 233.271 2.231 20 0 BEADMN C[C@H]1C[C@@H](n2c(CN)nc3ccccc32)CCO1 ZINC001168072749 963605429 /nfs/dbraw/zinc/60/54/29/963605429.db2.gz XUVONPSDSWHPRV-QWRGUYRKSA-N 0 1 245.326 2.235 20 0 BEADMN COc1cccc(CN2CCC[C@H]3C[C@H]32)n1 ZINC001137535583 963617039 /nfs/dbraw/zinc/61/70/39/963617039.db2.gz XNENYXCNVPUTAM-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN CCOc1ccnc(NC2CSC2)c1 ZINC001157576458 963666262 /nfs/dbraw/zinc/66/62/62/963666262.db2.gz DEFJWEWQOLNPNU-UHFFFAOYSA-N 0 1 210.302 2.008 20 0 BEADMN Cc1cnc(NCC2CC(=O)C2)c(C)c1 ZINC001157607703 963676875 /nfs/dbraw/zinc/67/68/75/963676875.db2.gz MZWKZSNBSZLRCV-UHFFFAOYSA-N 0 1 204.273 2.089 20 0 BEADMN Cc1ccc(NCC2CC(=O)C2)nc1C ZINC001157607004 963677754 /nfs/dbraw/zinc/67/77/54/963677754.db2.gz AWIMITXSUUDYFH-UHFFFAOYSA-N 0 1 204.273 2.089 20 0 BEADMN CCn1cc(CNCC(C)(C)C(C)(F)F)nn1 ZINC000697132814 963744998 /nfs/dbraw/zinc/74/49/98/963744998.db2.gz AZGWPRXKQGCFLM-UHFFFAOYSA-N 0 1 246.305 2.069 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2n[nH]c3cccnc32)o1 ZINC001256636524 1169828606 /nfs/dbraw/zinc/82/86/06/1169828606.db2.gz XUQCIFOOVHYTIS-RQJHMYQMSA-N 0 1 241.254 2.131 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2n[nH]c3cccnc32)o1 ZINC001256636523 1169829754 /nfs/dbraw/zinc/82/97/54/1169829754.db2.gz XUQCIFOOVHYTIS-RNFRBKRXSA-N 0 1 241.254 2.131 20 0 BEADMN CCCCOC1CN([C@H]2CCO[C@H](C)C2)C1 ZINC001168128410 963807302 /nfs/dbraw/zinc/80/73/02/963807302.db2.gz PXTPQTLIUWJJBV-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H]1C[C@@H](N2CC(Oc3ccccc3)C2)CCO1 ZINC001168128779 963807547 /nfs/dbraw/zinc/80/75/47/963807547.db2.gz UKFUJVLUXNMFJA-OLZOCXBDSA-N 0 1 247.338 2.317 20 0 BEADMN C[C@H](Oc1nc(=O)[nH]cc1Cl)C1CC1 ZINC001228479187 963823376 /nfs/dbraw/zinc/82/33/76/963823376.db2.gz AVHJNKNJWNANLV-YFKPBYRVSA-N 0 1 214.652 2.013 20 0 BEADMN CCN1CCC[C@H](Oc2cc(C)cnc2F)C1 ZINC001228587208 963874986 /nfs/dbraw/zinc/87/49/86/963874986.db2.gz PHVWIHWKKGBWNM-NSHDSACASA-N 0 1 238.306 2.392 20 0 BEADMN COc1ccc(CNc2ccc(C)c(C)n2)nn1 ZINC001158550491 963884223 /nfs/dbraw/zinc/88/42/23/963884223.db2.gz GNCXTKTVKVGNOK-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CCN1CCN(c2ncccc2F)C(C)(C)C1 ZINC001158560384 963886395 /nfs/dbraw/zinc/88/63/95/963886395.db2.gz BLNYPDCOWRHPDU-UHFFFAOYSA-N 0 1 237.322 2.141 20 0 BEADMN COc1ccc(CNc2cc(C)c(C)cn2)nn1 ZINC001158552358 963887577 /nfs/dbraw/zinc/88/75/77/963887577.db2.gz VHOVATKXPIAXLC-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272038574 963901950 /nfs/dbraw/zinc/90/19/50/963901950.db2.gz NLVFXBAHTSRCQI-RWMBFGLXSA-N 0 1 238.375 2.118 20 0 BEADMN CCCOC[C@@H](C)Oc1nnc2c[nH]ccc1-2 ZINC001228989046 963934722 /nfs/dbraw/zinc/93/47/22/963934722.db2.gz DPFORSASVGMXFU-SECBINFHSA-N 0 1 235.287 2.152 20 0 BEADMN CC(=O)[C@@H]1CCCN1c1cc2[nH]ccc2c(C)n1 ZINC001158839514 963940537 /nfs/dbraw/zinc/94/05/37/963940537.db2.gz RNWJNVUBDHLDGS-ZDUSSCGKSA-N 0 1 243.310 2.429 20 0 BEADMN Cc1ccc(Cl)c(NCC2CN(C)C2)n1 ZINC001159218495 964016704 /nfs/dbraw/zinc/01/67/04/964016704.db2.gz QIFRACASWOPGJE-UHFFFAOYSA-N 0 1 225.723 2.017 20 0 BEADMN F[C@H]1C[C@H](CNc2ccc3nc[nH]c3n2)C1 ZINC001168234816 964026987 /nfs/dbraw/zinc/02/69/87/964026987.db2.gz QXOIEVKVIUYKFO-ZKCHVHJHSA-N 0 1 220.251 2.118 20 0 BEADMN COc1ccc2c(c1)C[C@H](N1CC[C@@H](F)C1)C2 ZINC001168263200 964099027 /nfs/dbraw/zinc/09/90/27/964099027.db2.gz NBNXBLNXOYKRDP-CHWSQXEVSA-N 0 1 235.302 2.206 20 0 BEADMN c1nc(C[NH2+]CCSc2ccccc2)c[nH]1 ZINC000054765110 964122621 /nfs/dbraw/zinc/12/26/21/964122621.db2.gz KRUPXMLKTTWWTG-UHFFFAOYSA-N 0 1 233.340 2.292 20 0 BEADMN Cc1cc(Cl)cc(Nc2nccnc2CN)n1 ZINC001160243972 964274191 /nfs/dbraw/zinc/27/41/91/964274191.db2.gz AQICBBMBNBOWPL-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1Cc1ccc(N)nc1 ZINC000697592307 964329982 /nfs/dbraw/zinc/32/99/82/964329982.db2.gz PTOFAJPNZWGRFR-SECBINFHSA-N 0 1 241.285 2.283 20 0 BEADMN CCC(F)(F)CN[C@@H](C)C[C@H]1CCOC1 ZINC000697639406 964379602 /nfs/dbraw/zinc/37/96/02/964379602.db2.gz LSCLUKUJCGXHCG-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN Cc1cc2nc(NC3CN(C(C)C)C3)ccc2[nH]1 ZINC001168311757 964411650 /nfs/dbraw/zinc/41/16/50/964411650.db2.gz NHDLLDUNZUBVSK-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN Cc1nc2[nH]ccc2cc1NC1CN(C(C)C)C1 ZINC001168313641 964414079 /nfs/dbraw/zinc/41/40/79/964414079.db2.gz BANORFIEJUOYDE-UHFFFAOYSA-N 0 1 244.342 2.327 20 0 BEADMN Cc1cncc(NC2CN(C(C)C)C2)c1C ZINC001168313966 964415157 /nfs/dbraw/zinc/41/51/57/964415157.db2.gz HWMFSKVAFUYOFP-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN CC(C)[C@@H]1CN([C@@H](C)Cc2ccncc2)CCO1 ZINC001256750749 1169838237 /nfs/dbraw/zinc/83/82/37/1169838237.db2.gz UJZXRAIPXMDLTQ-ZFWWWQNUSA-N 0 1 248.370 2.369 20 0 BEADMN Cc1cc(NC2CN(C(C)C)C2)nc2cc[nH]c21 ZINC001168317294 964432459 /nfs/dbraw/zinc/43/24/59/964432459.db2.gz JRPBQKBXTJGDKY-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CC(C)N1CC(Nc2ccc3cnccc3n2)C1 ZINC001168317703 964434493 /nfs/dbraw/zinc/43/44/93/964434493.db2.gz STAACCOEEVVWAS-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CC(C)N1CC(Nc2cc3[nH]cnc3c(F)c2)C1 ZINC001168317647 964436986 /nfs/dbraw/zinc/43/69/86/964436986.db2.gz QFBWJBQIAUXNMN-UHFFFAOYSA-N 0 1 248.305 2.207 20 0 BEADMN Cn1cncc1Nc1cccc2[nH]cnc21 ZINC001213028772 964476362 /nfs/dbraw/zinc/47/63/62/964476362.db2.gz WONQYXWJSUYPAB-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ccc(C)c(NC[C@H]2C[C@@](C)(O)C2)n1 ZINC001168338858 964479325 /nfs/dbraw/zinc/47/93/25/964479325.db2.gz HNJMAXCIWFXHGN-BJHJDKERSA-N 0 1 220.316 2.271 20 0 BEADMN CCC1CCC(N2CCO[C@@H](C(C)=O)C2)CC1 ZINC001256876703 1169842337 /nfs/dbraw/zinc/84/23/37/1169842337.db2.gz RVNWJESTTJFFOF-JXQTWKCFSA-N 0 1 239.359 2.245 20 0 BEADMN CC(C)c1nc2c(ncnc2NC2CSC2)[nH]1 ZINC001168362046 964625143 /nfs/dbraw/zinc/62/51/43/964625143.db2.gz JZDOJDJEJUCXMI-UHFFFAOYSA-N 0 1 249.343 2.004 20 0 BEADMN Cc1nnc(CNc2ccc(C)c(C)n2)o1 ZINC001161710099 964697223 /nfs/dbraw/zinc/69/72/23/964697223.db2.gz AZLSVOGILWRSBS-UHFFFAOYSA-N 0 1 218.260 2.002 20 0 BEADMN Cc1ccnc(N[C@@H](CO)C(C)C)c1C ZINC001161736609 964722784 /nfs/dbraw/zinc/72/27/84/964722784.db2.gz CNXRPNMYTJKGTN-NSHDSACASA-N 0 1 208.305 2.127 20 0 BEADMN Cc1cc2nccn2cc1N[C@@H](CO)C(C)C ZINC001161740323 964727918 /nfs/dbraw/zinc/72/79/18/964727918.db2.gz DRHNXWYKNUJAIH-LBPRGKRZSA-N 0 1 233.315 2.072 20 0 BEADMN Cc1ccc(CNc2cc(N)c(F)cn2)o1 ZINC001161765710 964743868 /nfs/dbraw/zinc/74/38/68/964743868.db2.gz WKUGRWLHCAMXOV-UHFFFAOYSA-N 0 1 221.235 2.316 20 0 BEADMN CC(C)c1cc(NCC(F)F)nc(N(C)C)n1 ZINC001161810742 964763310 /nfs/dbraw/zinc/76/33/10/964763310.db2.gz DERRDDOVZXPADR-UHFFFAOYSA-N 0 1 244.289 2.343 20 0 BEADMN CCCNc1cc(C)nc(NCC(F)F)n1 ZINC001161807736 964763955 /nfs/dbraw/zinc/76/39/55/964763955.db2.gz NHUJLKMOBRALHG-UHFFFAOYSA-N 0 1 230.262 2.284 20 0 BEADMN Cc1cccnc1CNc1cccc2[nH]nnc21 ZINC001161886854 964808036 /nfs/dbraw/zinc/80/80/36/964808036.db2.gz LMPBQMSICURATB-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCc1nccn1C ZINC001161915430 964817271 /nfs/dbraw/zinc/81/72/71/964817271.db2.gz YJHABZBODAJKHP-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1cnc(NCc2ccnn2CCF)cc1C ZINC001162019873 964845118 /nfs/dbraw/zinc/84/51/18/964845118.db2.gz VKBCIPSKQHVIJZ-UHFFFAOYSA-N 0 1 248.305 2.477 20 0 BEADMN COCc1ccnc(NC2CN(C(C)(C)C)C2)c1 ZINC001162221992 964879413 /nfs/dbraw/zinc/87/94/13/964879413.db2.gz YGPYEXIOIGINLV-UHFFFAOYSA-N 0 1 249.358 2.123 20 0 BEADMN CCc1cc(NC2CN(C(C)(C)C)C2)nc(C)n1 ZINC001162225146 964880541 /nfs/dbraw/zinc/88/05/41/964880541.db2.gz BQJNZPXJXKICAK-UHFFFAOYSA-N 0 1 248.374 2.242 20 0 BEADMN CC(C)c1cc(NC2CN(C(C)(C)C)C2)ncn1 ZINC001162221364 964881401 /nfs/dbraw/zinc/88/14/01/964881401.db2.gz LGRXUVOFTOFWKB-UHFFFAOYSA-N 0 1 248.374 2.495 20 0 BEADMN Cc1ccnc(NC[C@@H](O)c2ccco2)c1C ZINC001162251769 964889812 /nfs/dbraw/zinc/88/98/12/964889812.db2.gz LDZZIOJHSLPZSP-LLVKDONJSA-N 0 1 232.283 2.437 20 0 BEADMN CCCC[C@H](Nc1cc(C)c(C)cn1)C(N)=O ZINC001162282491 964909784 /nfs/dbraw/zinc/90/97/84/964909784.db2.gz WSNWFLWBIJIAQD-NSHDSACASA-N 0 1 235.331 2.154 20 0 BEADMN CCOc1ccnc(N[C@@H]2CCOC[C@@H]2F)c1 ZINC001162344178 964940413 /nfs/dbraw/zinc/94/04/13/964940413.db2.gz HQJRLDZIXPIOQQ-WDEREUQCSA-N 0 1 240.278 2.019 20 0 BEADMN c1cc(CN2CC[C@H](Oc3ccncc3)C2)co1 ZINC000093866182 964990319 /nfs/dbraw/zinc/99/03/19/964990319.db2.gz IWBAJFAFEKBCEB-AWEZNQCLSA-N 0 1 244.294 2.328 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1cc2c(nn1)CNC2 ZINC001162526469 965028729 /nfs/dbraw/zinc/02/87/29/965028729.db2.gz QETROVPDVGYHKO-GHMZBOCLSA-N 0 1 246.358 2.318 20 0 BEADMN Cc1ccnc(NCc2cnc(C)nc2)c1C ZINC001168379451 965084674 /nfs/dbraw/zinc/08/46/74/965084674.db2.gz MPORJZXMEBQOAW-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN Cc1cc(NC(=N)C(C)(C)C)c2ncnn2c1 ZINC001162660745 965091140 /nfs/dbraw/zinc/09/11/40/965091140.db2.gz MFOCRSNGYALLIH-UHFFFAOYSA-N 0 1 231.303 2.473 20 0 BEADMN CC(C)(C)C(=N)Nc1ccc2c(n1)NCCO2 ZINC001162666095 965102165 /nfs/dbraw/zinc/10/21/65/965102165.db2.gz ZVAIMDIFIOMRDL-UHFFFAOYSA-N 0 1 234.303 2.321 20 0 BEADMN Cn1cccc1CNc1cccn2cncc12 ZINC001162711336 965134511 /nfs/dbraw/zinc/13/45/11/965134511.db2.gz MTLBRNGEZAXZLU-UHFFFAOYSA-N 0 1 226.283 2.285 20 0 BEADMN O=C1CC(CNc2cc(OC(F)F)ccn2)C1 ZINC001168396259 965150101 /nfs/dbraw/zinc/15/01/01/965150101.db2.gz SILZVWQKXKIMRJ-UHFFFAOYSA-N 0 1 242.225 2.074 20 0 BEADMN Cc1ccc(CNc2ccnc3[nH]cnc32)cn1 ZINC001162871786 965196590 /nfs/dbraw/zinc/19/65/90/965196590.db2.gz TZYJEVDOJPAACX-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN NCc1nccn1[C@H]1CCc2cc(F)ccc2C1 ZINC001168401399 965208625 /nfs/dbraw/zinc/20/86/25/965208625.db2.gz VGKTZMCXPXCJAA-ZDUSSCGKSA-N 0 1 245.301 2.211 20 0 BEADMN COc1ccnc(CN2CCC[C@@H](F)CC2)c1 ZINC001231966446 965292335 /nfs/dbraw/zinc/29/23/35/965292335.db2.gz GBFQAMDDVGMYHM-LLVKDONJSA-N 0 1 238.306 2.414 20 0 BEADMN Cc1cnc(N[C@H]2CNCc3ccsc32)nc1 ZINC001163230003 965313320 /nfs/dbraw/zinc/31/33/20/965313320.db2.gz STPDEGIPLQXHGO-JTQLQIEISA-N 0 1 246.339 2.103 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000251522211 965352853 /nfs/dbraw/zinc/35/28/53/965352853.db2.gz AUBSQOORIOZNJT-SRVKXCTJSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H]1CN(Cc2cc3ccoc3cn2)CC[C@H]1O ZINC001232550291 965379892 /nfs/dbraw/zinc/37/98/92/965379892.db2.gz RXUSHAWKGUVZON-GXFFZTMASA-N 0 1 246.310 2.031 20 0 BEADMN CC(C)OC(=O)[C@H](C)Nc1ccc2nc[nH]c2c1 ZINC001163406837 965399521 /nfs/dbraw/zinc/39/95/21/965399521.db2.gz BXRQBWYXQCCLSQ-VIFPVBQESA-N 0 1 247.298 2.315 20 0 BEADMN CN(C)Cc1cc(Br)co1 ZINC001232849900 965422128 /nfs/dbraw/zinc/42/21/28/965422128.db2.gz HMLIMGZZDFDJBM-UHFFFAOYSA-N 0 1 204.067 2.104 20 0 BEADMN Cc1ccc(N2CCCC[C@@H]2CO)nc1C ZINC001163551471 965446643 /nfs/dbraw/zinc/44/66/43/965446643.db2.gz KDXPXULUOKURBH-GFCCVEGCSA-N 0 1 220.316 2.050 20 0 BEADMN C[C@H](Cc1cccs1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000689900135 965451220 /nfs/dbraw/zinc/45/12/20/965451220.db2.gz WHEUPMDDDDLMCZ-MWLCHTKSSA-N 0 1 239.340 2.228 20 0 BEADMN CCN(C/C=C(/C)C(=O)OC)Cc1ccncc1 ZINC000088630505 965508993 /nfs/dbraw/zinc/50/89/93/965508993.db2.gz FKXBZJOGILDMBS-GHXNOFRVSA-N 0 1 248.326 2.023 20 0 BEADMN O=c1cc(Cl)c(OC2CCSCC2)n[nH]1 ZINC001233587758 965528813 /nfs/dbraw/zinc/52/88/13/965528813.db2.gz ZEUNLPUNPUOJJS-UHFFFAOYSA-N 0 1 246.719 2.110 20 0 BEADMN CC1(C)CN(c2nc3[nH]cnc3cc2Cl)C1 ZINC001163724079 965536977 /nfs/dbraw/zinc/53/69/77/965536977.db2.gz CMANFADRYUSDLY-UHFFFAOYSA-N 0 1 236.706 2.458 20 0 BEADMN COc1ccnc(N2CC3(C2)CC(F)(F)C3)c1 ZINC001163742709 965564458 /nfs/dbraw/zinc/56/44/58/965564458.db2.gz FWGGMEKIFYKNJP-UHFFFAOYSA-N 0 1 240.253 2.326 20 0 BEADMN Cc1cc(C)cc(CNc2cnc(CN)nc2)c1 ZINC001163751475 965569027 /nfs/dbraw/zinc/56/90/27/965569027.db2.gz XVBFXIMXHDSINT-UHFFFAOYSA-N 0 1 242.326 2.164 20 0 BEADMN Cc1ccc(N2Cc3cncnc3C2)nc1C ZINC001163984225 965679538 /nfs/dbraw/zinc/67/95/38/965679538.db2.gz QSNOCOUJYIQYRY-UHFFFAOYSA-N 0 1 226.283 2.009 20 0 BEADMN CN(C)Cc1cccc(NC2(C)CCC2)n1 ZINC001164030306 965703684 /nfs/dbraw/zinc/70/36/84/965703684.db2.gz TYRLLIILXCFOEZ-UHFFFAOYSA-N 0 1 219.332 2.498 20 0 BEADMN Cc1c2nc[nH]c2ccc1NCC1(CO)CCC1 ZINC001164363732 965860378 /nfs/dbraw/zinc/86/03/78/965860378.db2.gz IOGSKRRVXKGHFX-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN Cn1ccc2c1nccc2NCCn1cccc1 ZINC001164455668 965891098 /nfs/dbraw/zinc/89/10/98/965891098.db2.gz YJYIWPJZDYBUKL-UHFFFAOYSA-N 0 1 240.310 2.487 20 0 BEADMN COc1cccnc1N1CCN(C(C)(C)C)CC1 ZINC001165087483 965959715 /nfs/dbraw/zinc/95/97/15/965959715.db2.gz CIMWGSZBPLIJSB-UHFFFAOYSA-N 0 1 249.358 2.011 20 0 BEADMN CCc1cc(C[N@H+]2CCC[C@H](OC)CC2)on1 ZINC001203226685 965990431 /nfs/dbraw/zinc/99/04/31/965990431.db2.gz RFGCESLVLIREKL-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN COc1ccnc(N2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001165335803 966059977 /nfs/dbraw/zinc/05/99/77/966059977.db2.gz VUVWGXKPKBIAJX-DGCLKSJQSA-N 0 1 248.326 2.096 20 0 BEADMN C[C@H]1COC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000699776045 966084521 /nfs/dbraw/zinc/08/45/21/966084521.db2.gz KWDHPVUYIZNDSZ-SMDDNHRTSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1ncn(C)c1CN1CC(c2ccccc2)C1 ZINC001235552816 966085836 /nfs/dbraw/zinc/08/58/36/966085836.db2.gz JOVFBWHYIVOWHS-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN Clc1cc(CN2C[C@@H]3COC[C@@H]3C2)cs1 ZINC001142761746 966262461 /nfs/dbraw/zinc/26/24/61/966262461.db2.gz DGKURIBIMDBQJA-AOOOYVTPSA-N 0 1 243.759 2.480 20 0 BEADMN Cc1cc(Cl)nc(N=C2CCOC2)c1 ZINC001203382967 966278901 /nfs/dbraw/zinc/27/89/01/966278901.db2.gz ZMGBYLMLZWXWFS-UHFFFAOYSA-N 0 1 210.664 2.369 20 0 BEADMN CN(CCO)Cc1ccc(-c2ccccc2)nc1 ZINC001236256000 966327677 /nfs/dbraw/zinc/32/76/77/966327677.db2.gz VOAVAYYELIMZKJ-UHFFFAOYSA-N 0 1 242.322 2.173 20 0 BEADMN Cc1cnc(N(C)CC2(C)COC2)cc1C ZINC001166711836 966376551 /nfs/dbraw/zinc/37/65/51/966376551.db2.gz IWOYWKKMCGWQTQ-UHFFFAOYSA-N 0 1 220.316 2.171 20 0 BEADMN CCC(=O)N1CCC[C@@H]1CN(C)C[C@H](F)CC ZINC001485045116 966533354 /nfs/dbraw/zinc/53/33/54/966533354.db2.gz MCNCVZQSOLZYFM-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN CC[C@H](c1ccccc1)N(C)Cc1c[nH]nn1 ZINC001203206610 966550322 /nfs/dbraw/zinc/55/03/22/966550322.db2.gz CJXQYLCSGYEOFO-CYBMUJFWSA-N 0 1 230.315 2.388 20 0 BEADMN c1[nH]nnc1CN1CCC[C@H]1c1ccccc1 ZINC001203206397 966555750 /nfs/dbraw/zinc/55/57/50/966555750.db2.gz YJPDQJOJFFCNPE-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN CCCO[C@H]1CCN(Cc2cc(CC)no2)C1 ZINC001203219984 966565977 /nfs/dbraw/zinc/56/59/77/966565977.db2.gz PKDRZEFMZRCBLV-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1cc(CN2CC[C@H](OC)C[C@H]2C)on1 ZINC001203232143 966568226 /nfs/dbraw/zinc/56/82/26/966568226.db2.gz PULAMJPPDXMRKM-PWSUYJOCSA-N 0 1 238.331 2.236 20 0 BEADMN O[C@@H]1CCN(Cc2ccccc2F)CC[C@H]1F ZINC001203345915 966610805 /nfs/dbraw/zinc/61/08/05/966610805.db2.gz BVUFAFSRYZRUTE-CHWSQXEVSA-N 0 1 241.281 2.121 20 0 BEADMN Fc1ccccc1CN1CCc2nccn2CC1 ZINC001203357084 966615578 /nfs/dbraw/zinc/61/55/78/966615578.db2.gz FGBMHZQCJZDDRN-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)c(C)n1 ZINC001203369919 966620181 /nfs/dbraw/zinc/62/01/81/966620181.db2.gz FJCINXNVJRLEGG-UHFFFAOYSA-N 0 1 229.283 2.329 20 0 BEADMN Cc1cc(F)cc(C)c1CN1CC(C)(CO)C1 ZINC001237318803 966651561 /nfs/dbraw/zinc/65/15/61/966651561.db2.gz VBLICZLRYIMBNQ-UHFFFAOYSA-N 0 1 237.318 2.257 20 0 BEADMN CCc1nc(OC)ccc1Nc1cncn1C ZINC001203586981 966700131 /nfs/dbraw/zinc/70/01/31/966700131.db2.gz PZVJQHPWHVULOS-UHFFFAOYSA-N 0 1 232.287 2.130 20 0 BEADMN Cc1ccccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001203713727 966736549 /nfs/dbraw/zinc/73/65/49/966736549.db2.gz WNHNWBDNSRQVAD-ZIAGYGMSSA-N 0 1 217.312 2.358 20 0 BEADMN CN(Cc1ccc[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001204013276 966851467 /nfs/dbraw/zinc/85/14/67/966851467.db2.gz NLQYAOGTZSWVRM-AWEZNQCLSA-N 0 1 242.322 2.450 20 0 BEADMN Cc1ccsc1CN1CCN(CCF)CC1 ZINC001204022145 966858650 /nfs/dbraw/zinc/85/86/50/966858650.db2.gz STMYZRGCMVORMU-UHFFFAOYSA-N 0 1 242.363 2.144 20 0 BEADMN Cc1cccc(CN2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001204067081 966874812 /nfs/dbraw/zinc/87/48/12/966874812.db2.gz KRUSUYIIQNWTDR-HIFRSBDPSA-N 0 1 246.354 2.391 20 0 BEADMN CCN(CCn1cccn1)Cc1cccc(C)n1 ZINC001204068327 966875847 /nfs/dbraw/zinc/87/58/47/966875847.db2.gz ZLWIGKMHPFDPNJ-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN Fc1ccc(-c2nc(F)nc3nc[nH]c32)cc1 ZINC001239472778 966886847 /nfs/dbraw/zinc/88/68/47/966886847.db2.gz PDOAVDWOXUFRJQ-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN CC[C@@H](NCc1nccc(C)n1)C1CC1 ZINC000692496752 966891906 /nfs/dbraw/zinc/89/19/06/966891906.db2.gz RIEHNSPSJQHSDR-LLVKDONJSA-N 0 1 205.305 2.063 20 0 BEADMN Cc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001239478567 966894187 /nfs/dbraw/zinc/89/41/87/966894187.db2.gz ZNVIKXIMYCQYIX-UHFFFAOYSA-N 0 1 211.268 2.055 20 0 BEADMN CC(=O)[C@@H](C)O[C@H]1CCN(Cc2ccccc2)C1 ZINC001205234029 966922830 /nfs/dbraw/zinc/92/28/30/966922830.db2.gz UYCQVEBCADAKND-HIFRSBDPSA-N 0 1 247.338 2.255 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(F)cc1F ZINC001204207791 966926827 /nfs/dbraw/zinc/92/68/27/966926827.db2.gz LGRIXNXREOHNPS-CABZTGNLSA-N 0 1 241.281 2.310 20 0 BEADMN CCOCCN(CCOCC)Cc1ccoc1 ZINC001204245307 966941139 /nfs/dbraw/zinc/94/11/39/966941139.db2.gz JAGVIDYXIDKNCP-UHFFFAOYSA-N 0 1 241.331 2.155 20 0 BEADMN O=C1CCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]12 ZINC001204248317 966945747 /nfs/dbraw/zinc/94/57/47/966945747.db2.gz VVIYFYANOBLEDC-NEPJUHHUSA-N 0 1 219.284 2.081 20 0 BEADMN COC1CCC(Nc2ccc3nc[nH]c3n2)CC1 ZINC001168602166 966971260 /nfs/dbraw/zinc/97/12/60/966971260.db2.gz FQZDLJBCPAOEFY-UHFFFAOYSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1 ZINC001204315651 966972106 /nfs/dbraw/zinc/97/21/06/966972106.db2.gz VOCRPYKQEFNWAX-LBPRGKRZSA-N 0 1 244.338 2.399 20 0 BEADMN COC1CCC(Nc2cc(N)c(F)cn2)CC1 ZINC001168606152 966976846 /nfs/dbraw/zinc/97/68/46/966976846.db2.gz VCWSYIYRAPIQFW-UHFFFAOYSA-N 0 1 239.294 2.172 20 0 BEADMN CCOc1ccc(CN2CCC2)cc1OC ZINC001204356602 966982746 /nfs/dbraw/zinc/98/27/46/966982746.db2.gz BHLXYWSTVVDOOP-UHFFFAOYSA-N 0 1 221.300 2.300 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cncn1C ZINC001204385636 966985736 /nfs/dbraw/zinc/98/57/36/966985736.db2.gz KRGYMTFILSJZAY-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN CC(C)Oc1ccc(CN2CC3(COC3)C2)cc1 ZINC001204453302 966999780 /nfs/dbraw/zinc/99/97/80/966999780.db2.gz STRWHKMXFOWWRY-UHFFFAOYSA-N 0 1 247.338 2.306 20 0 BEADMN Cc1c(F)cccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001204506773 967012116 /nfs/dbraw/zinc/01/21/16/967012116.db2.gz NHTIDWDNRJJRMJ-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)oc1C ZINC001204532787 967031220 /nfs/dbraw/zinc/03/12/20/967031220.db2.gz HIEKZRDATZJZRG-TXEJJXNPSA-N 0 1 233.311 2.307 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@](C)(O)C2)oc1C ZINC001204535647 967037026 /nfs/dbraw/zinc/03/70/26/967037026.db2.gz WJLXLCJDHPREQR-ZDUSSCGKSA-N 0 1 223.316 2.243 20 0 BEADMN Fc1ccc(-c2ncnc3c2CNC3)c(F)c1 ZINC001239675891 967074254 /nfs/dbraw/zinc/07/42/54/967074254.db2.gz PGEGJZHIBDBEBZ-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN CN1CCN(c2ccc(-c3ccoc3)nc2)CC1 ZINC001239692191 967091222 /nfs/dbraw/zinc/09/12/22/967091222.db2.gz QXPKYPRTECVWMD-UHFFFAOYSA-N 0 1 243.310 2.093 20 0 BEADMN Cc1nc[nH]c1CN1CCC[C@@H](C(F)F)C1 ZINC001204590548 967091808 /nfs/dbraw/zinc/09/18/08/967091808.db2.gz RVWWRYHZILTCNL-SECBINFHSA-N 0 1 229.274 2.195 20 0 BEADMN CCOC(=O)[C@H](C)c1ccc2nc[nH]c2c1 ZINC001249856370 967099448 /nfs/dbraw/zinc/09/94/48/967099448.db2.gz VXMPJWLVLZDPHI-MRVPVSSYSA-N 0 1 218.256 2.230 20 0 BEADMN COc1ccc(C[N@@H+](C)CCSC)nc1C ZINC001249913536 967131612 /nfs/dbraw/zinc/13/16/12/967131612.db2.gz DDDQVNKKNKYQLS-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN COc1ccc(CN(C)CCSC)nc1C ZINC001249913536 967131624 /nfs/dbraw/zinc/13/16/24/967131624.db2.gz DDDQVNKKNKYQLS-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN COc1ccc(C(O)=Cc2cnoc2C)cc1 ZINC001249903969 967141881 /nfs/dbraw/zinc/14/18/81/967141881.db2.gz LRYVGEJEMFAWMT-UHFFFAOYSA-N 0 1 231.251 2.417 20 0 BEADMN CCc1ccccc1-c1ncnc2c1CNC2 ZINC001239742185 967142508 /nfs/dbraw/zinc/14/25/08/967142508.db2.gz LHYBXHOMKGVVAD-UHFFFAOYSA-N 0 1 225.295 2.309 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2cccn2C)[nH]n1 ZINC001116439024 967163445 /nfs/dbraw/zinc/16/34/45/967163445.db2.gz CPJNGJPRZJAKCT-CQSZACIVSA-N 0 1 244.342 2.394 20 0 BEADMN COc1cc(CO)ccc1-c1cc(N)c(C)cn1 ZINC001204774774 967165081 /nfs/dbraw/zinc/16/50/81/967165081.db2.gz LXVMENXWZCVZFF-UHFFFAOYSA-N 0 1 244.294 2.140 20 0 BEADMN CCOCCc1cc2[nH]ncc2c(F)c1 ZINC001249944079 967184091 /nfs/dbraw/zinc/18/40/91/967184091.db2.gz UPJMISBVZWYFOM-UHFFFAOYSA-N 0 1 208.236 2.281 20 0 BEADMN C(c1noc2c1COCC2)N1CCCCCC1 ZINC000929233797 967193157 /nfs/dbraw/zinc/19/31/57/967193157.db2.gz KYXQJKNFIWLSCJ-UHFFFAOYSA-N 0 1 236.315 2.123 20 0 BEADMN CCCN(CCC)C(=O)c1ccncc1O ZINC000162963213 967211709 /nfs/dbraw/zinc/21/17/09/967211709.db2.gz OIYZKURHBIQEDZ-UHFFFAOYSA-N 0 1 222.288 2.049 20 0 BEADMN CCOC(=O)CCCCc1cnc(N)cc1C ZINC001249981282 967226292 /nfs/dbraw/zinc/22/62/92/967226292.db2.gz NZZIRFCJCQSVTP-UHFFFAOYSA-N 0 1 236.315 2.248 20 0 BEADMN c1ccc2c(c1)nccc2-c1ncnc2c1CNC2 ZINC001239846738 967227149 /nfs/dbraw/zinc/22/71/49/967227149.db2.gz ADTAIKBCWKHOQC-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CN(Cc1ncccc1F)CC1CCOCC1 ZINC001204915843 967234549 /nfs/dbraw/zinc/23/45/49/967234549.db2.gz MJJWDRXACXGHMF-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN COCCOCc1cccc(CN(C)C)c1F ZINC001250006105 967267444 /nfs/dbraw/zinc/26/74/44/967267444.db2.gz YUUISEQUHNQBDB-UHFFFAOYSA-N 0 1 241.306 2.050 20 0 BEADMN Cn1cc(CN2CCC(F)(F)C(C)(C)C2)cn1 ZINC001204978789 967271035 /nfs/dbraw/zinc/27/10/35/967271035.db2.gz HUKUSOAKJCQLKY-UHFFFAOYSA-N 0 1 243.301 2.287 20 0 BEADMN c1cc(C2CC2)ccc1CCN1CCOCC1 ZINC001250032965 967286218 /nfs/dbraw/zinc/28/62/18/967286218.db2.gz OMCSZGXFIXZOQF-UHFFFAOYSA-N 0 1 231.339 2.439 20 0 BEADMN COc1cc(C)c(-n2cnc(C)c2N)c(C)c1 ZINC001250033721 967287141 /nfs/dbraw/zinc/28/71/41/967287141.db2.gz BDFIYVUMQDMOPX-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN C1=C(C2CC2)CC[C@@H](N2CCOCC2)C1 ZINC001250035951 967288398 /nfs/dbraw/zinc/28/83/98/967288398.db2.gz GOSBIUPFCSPARD-ZDUSSCGKSA-N 0 1 207.317 2.208 20 0 BEADMN Cc1ccc(NC(=O)c2ccncc2O)cc1O ZINC000163039636 967308173 /nfs/dbraw/zinc/30/81/73/967308173.db2.gz FSGSVAKQOJYCMA-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1cnc(CN)nc1 ZINC001168688033 967354103 /nfs/dbraw/zinc/35/41/03/967354103.db2.gz AANJWLMXZRYXNK-ZJUUUORDSA-N 0 1 222.336 2.172 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2nccn2C)C[C@@H]1C ZINC001205112190 967356413 /nfs/dbraw/zinc/35/64/13/967356413.db2.gz YYVRWLHCKVOHKI-NEPJUHHUSA-N 0 1 221.348 2.288 20 0 BEADMN Cn1ccnc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001205112171 967361081 /nfs/dbraw/zinc/36/10/81/967361081.db2.gz YJFOEWYMPRIEEI-NWDGAFQWSA-N 0 1 219.332 2.042 20 0 BEADMN Cn1ccnc1CN1CC[C@@H]2CCC[C@@H]2C1 ZINC001205112171 967361089 /nfs/dbraw/zinc/36/10/89/967361089.db2.gz YJFOEWYMPRIEEI-NWDGAFQWSA-N 0 1 219.332 2.042 20 0 BEADMN CCCCN(CCC)Cc1nccn1C ZINC001205133397 967381808 /nfs/dbraw/zinc/38/18/08/967381808.db2.gz TXVTVZIJEMFDHM-UHFFFAOYSA-N 0 1 209.337 2.432 20 0 BEADMN CC[C@@H](C)C[C@H](C)Nc1ncc2c(n1)CNCC2 ZINC001168692928 967393681 /nfs/dbraw/zinc/39/36/81/967393681.db2.gz HUFDIZGRVSHYSH-MNOVXSKESA-N 0 1 248.374 2.359 20 0 BEADMN COC(CN(C)Cc1ccc(F)c(C)c1)OC ZINC001205193087 967421152 /nfs/dbraw/zinc/42/11/52/967421152.db2.gz PMZNNLSMBVPWMX-UHFFFAOYSA-N 0 1 241.306 2.185 20 0 BEADMN Cc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1F ZINC001205243845 967439869 /nfs/dbraw/zinc/43/98/69/967439869.db2.gz PGNSKAHULPYVMO-GXTWGEPZSA-N 0 1 235.302 2.355 20 0 BEADMN COc1nccc(CCN2CCCC2)c1Cl ZINC001250166453 967461924 /nfs/dbraw/zinc/46/19/24/967461924.db2.gz OSJBAIZRTMJKCI-UHFFFAOYSA-N 0 1 240.734 2.382 20 0 BEADMN CN(C)Cc1ccc(-c2cn[nH]c2)cc1F ZINC001240243705 967470982 /nfs/dbraw/zinc/47/09/82/967470982.db2.gz NQENAXJNXLYGFM-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN c1ncn2cc(Cc3cccnc3)ccc12 ZINC001250171769 967472746 /nfs/dbraw/zinc/47/27/46/967472746.db2.gz CQKBWPGVTVDSEA-UHFFFAOYSA-N 0 1 209.252 2.320 20 0 BEADMN CCOc1cc(C)ccc1CN1CCN(C)CC1 ZINC001250172144 967472907 /nfs/dbraw/zinc/47/29/07/967472907.db2.gz UZHGJOAOCNCKBC-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN CN(Cc1cccc2[nH]ccc21)C1(C)COC1 ZINC001205289709 967479573 /nfs/dbraw/zinc/47/95/73/967479573.db2.gz FYUACNQQVIFJNS-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN Clc1ccsc1CN1CC(C2COC2)C1 ZINC001205312350 967513114 /nfs/dbraw/zinc/51/31/14/967513114.db2.gz OEDZWOOPCMQURU-UHFFFAOYSA-N 0 1 243.759 2.480 20 0 BEADMN OCc1ccc(F)c(Nc2ncco2)c1F ZINC001250253344 967561416 /nfs/dbraw/zinc/56/14/16/967561416.db2.gz WAKGIPGXONVDBF-UHFFFAOYSA-N 0 1 226.182 2.189 20 0 BEADMN CCc1ccc([C@H]2CC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000077366203 967561718 /nfs/dbraw/zinc/56/17/18/967561718.db2.gz NLLRNXKLHRZLIG-ZDUSSCGKSA-N 0 1 233.311 2.123 20 0 BEADMN CN1CC2(C1)CN(Cc1sccc1Cl)C2 ZINC001205359365 967591901 /nfs/dbraw/zinc/59/19/01/967591901.db2.gz VCLBKLCNJFSCIR-UHFFFAOYSA-N 0 1 242.775 2.149 20 0 BEADMN COc1ccc2nc(OC[C@H]3CCCO3)[nH]c2c1 ZINC001229729539 967594101 /nfs/dbraw/zinc/59/41/01/967594101.db2.gz LEFCAIWTSXKAHH-SNVBAGLBSA-N 0 1 248.282 2.129 20 0 BEADMN CN(C1COC1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168735383 967694834 /nfs/dbraw/zinc/69/48/34/967694834.db2.gz RWOCRAKJAIBGBR-JTQLQIEISA-N 0 1 237.730 2.138 20 0 BEADMN CN(C)Cc1cccc(CCn2ccnc2)c1F ZINC001250320517 967697184 /nfs/dbraw/zinc/69/71/84/967697184.db2.gz NPLPJDJSUHBALX-UHFFFAOYSA-N 0 1 247.317 2.327 20 0 BEADMN Cc1conc1Nc1ccc2cncn2c1 ZINC001250323068 967703392 /nfs/dbraw/zinc/70/33/92/967703392.db2.gz RREMMDMYQATSII-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)n(C)n1 ZINC001250323368 967703893 /nfs/dbraw/zinc/70/38/93/967703893.db2.gz VQPFJSTWOXTLNS-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Nc1ccc2ncn(-c3ccc4cncn4c3)c2c1 ZINC001250327826 967709974 /nfs/dbraw/zinc/70/99/74/967709974.db2.gz DPXHMTBFUALSBJ-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Cc1cnn(C)c1Nc1ccc2cncn2c1 ZINC001250327252 967710975 /nfs/dbraw/zinc/71/09/75/967710975.db2.gz NATDWKFAMXPPKN-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Cc1ncc(Nc2ccc3cncn3c2)c(C)n1 ZINC001250327400 967711437 /nfs/dbraw/zinc/71/14/37/967711437.db2.gz VDKRISFCKPSFMU-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN Cc1ccnnc1Nc1ccc2cncn2c1 ZINC001250328900 967711835 /nfs/dbraw/zinc/71/18/35/967711835.db2.gz AIGRLPRAYXDJCT-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN Oc1cc(Cc2ncccn2)c(F)c(F)c1F ZINC001250345264 967742360 /nfs/dbraw/zinc/74/23/60/967742360.db2.gz LBEJMXBAHRAUSZ-UHFFFAOYSA-N 0 1 240.184 2.190 20 0 BEADMN Cc1noc(Cc2c(F)cc(F)c(O)c2F)n1 ZINC001250357101 967759680 /nfs/dbraw/zinc/75/96/80/967759680.db2.gz SQBKTESZGUIUHH-UHFFFAOYSA-N 0 1 244.172 2.092 20 0 BEADMN Cc1noc(Cc2cc(Cl)c(O)cc2F)n1 ZINC001250359111 967763360 /nfs/dbraw/zinc/76/33/60/967763360.db2.gz RZAFBWJPXBCSTB-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN c1nocc1CN1CCC[C@H](c2ccccn2)C1 ZINC001205696792 967780907 /nfs/dbraw/zinc/78/09/07/967780907.db2.gz HTKMCJFYPWAZCJ-ZDUSSCGKSA-N 0 1 243.310 2.449 20 0 BEADMN CCC(C)(C)CN[C@H](C)c1cc(CO)on1 ZINC000822611033 967844162 /nfs/dbraw/zinc/84/41/62/967844162.db2.gz VHVYEZGCBVUOHI-SECBINFHSA-N 0 1 226.320 2.254 20 0 BEADMN Cc1cnccc1CN1CC2(CCC2)C1 ZINC001205835645 967845896 /nfs/dbraw/zinc/84/58/96/967845896.db2.gz WSPDOLPZTIKDMB-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN CN(C)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC001250432029 967849876 /nfs/dbraw/zinc/84/98/76/967849876.db2.gz MYDZRCYJANQLIW-SECBINFHSA-N 0 1 231.299 2.133 20 0 BEADMN Cc1nc2ccc(Cc3ccnn3C)cc2[nH]1 ZINC001250435878 967855104 /nfs/dbraw/zinc/85/51/04/967855104.db2.gz DKYYMIBOOGINGR-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN CN(C)C(=O)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC001250435615 967855907 /nfs/dbraw/zinc/85/59/07/967855907.db2.gz GDTKNYLYCMCULM-UHFFFAOYSA-N 0 1 241.653 2.057 20 0 BEADMN CCOc1cc(-n2cnc(C)c2N)ccc1OC ZINC001212540783 967856832 /nfs/dbraw/zinc/85/68/32/967856832.db2.gz SOHMZUCZORQENY-UHFFFAOYSA-N 0 1 247.298 2.170 20 0 BEADMN Cc1cnccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001205862491 967860370 /nfs/dbraw/zinc/86/03/70/967860370.db2.gz DOQQJEFCXDBYBT-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN COc1cc2[nH]c(-c3cn[nH]c3)nc2cc1C ZINC001250439523 967861815 /nfs/dbraw/zinc/86/18/15/967861815.db2.gz VBHATLCCLCNMEI-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN Oc1cc(-c2cnccn2)c(F)c(F)c1F ZINC001250441300 967865400 /nfs/dbraw/zinc/86/54/00/967865400.db2.gz BVLGIFCIRDCUIB-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cc1ncc(Nc2c(C)ccnc2F)n1C ZINC001212556791 967873579 /nfs/dbraw/zinc/87/35/79/967873579.db2.gz SBOJKZMYCRTYGP-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN Cc1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001250454159 967877637 /nfs/dbraw/zinc/87/76/37/967877637.db2.gz YZIIEKVOGIWNIB-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CC=CC=CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000169812694 967879443 /nfs/dbraw/zinc/87/94/43/967879443.db2.gz BWEHSUQFLOBPNN-MQQKCMAXSA-N 0 1 241.294 2.311 20 0 BEADMN Cc1nonc1Nc1cnn(C(C)(C)C)c1 ZINC001212567646 967880514 /nfs/dbraw/zinc/88/05/14/967880514.db2.gz KBOIVJBMJXDDMI-UHFFFAOYSA-N 0 1 221.264 2.073 20 0 BEADMN Cc1cc(CN2CCC[C@@H](C(F)F)C2)n(C)n1 ZINC001205911692 967882663 /nfs/dbraw/zinc/88/26/63/967882663.db2.gz XAZQNCGYXSQXTO-SNVBAGLBSA-N 0 1 243.301 2.206 20 0 BEADMN Cc1nccc(NC(=N)C(C)(C)C)c1F ZINC001162665854 967885862 /nfs/dbraw/zinc/88/58/62/967885862.db2.gz RKQQQUUSFKQNKN-UHFFFAOYSA-N 0 1 209.268 2.386 20 0 BEADMN Fc1ccc2nc(-c3ncc[nH]3)[nH]c2c1 ZINC001250472162 967896067 /nfs/dbraw/zinc/89/60/67/967896067.db2.gz WDLYESRDMZHLOD-UHFFFAOYSA-N 0 1 202.192 2.092 20 0 BEADMN Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])n1 ZINC000300272163 967909969 /nfs/dbraw/zinc/90/99/69/967909969.db2.gz KWGHGCCVWLYLAK-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CN(C)c1ccc2nc(-c3cnn(C)c3)[nH]c2c1 ZINC001250501688 967988676 /nfs/dbraw/zinc/98/86/76/967988676.db2.gz JFWNRPKYCAQZRD-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN CCOc1ccc2nc(-c3cnn(C)c3)[nH]c2c1 ZINC001250501691 967989067 /nfs/dbraw/zinc/98/90/67/967989067.db2.gz JJSJGISFNPSMPF-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN Cn1ccnc1-c1nc2ccc(F)cc2[nH]1 ZINC001250501996 967989629 /nfs/dbraw/zinc/98/96/29/967989629.db2.gz PDZQZRBEOHXPHO-UHFFFAOYSA-N 0 1 216.219 2.103 20 0 BEADMN Cc1c(N)cc[nH+]c1-c1ccc([O-])cc1F ZINC001206029473 967989890 /nfs/dbraw/zinc/98/98/90/967989890.db2.gz AYSBAACMBBLUJV-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c(-c3c[nH]cn3)nc21 ZINC001250499788 967991066 /nfs/dbraw/zinc/99/10/66/967991066.db2.gz MRWTVKGKQPJTOG-UHFFFAOYSA-N 0 1 238.172 2.370 20 0 BEADMN Cc1ccc(-c2c(O)cccc2F)nn1 ZINC001250522290 968030181 /nfs/dbraw/zinc/03/01/81/968030181.db2.gz XYESDUKNSXGLCY-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1nc2cnc(N3[C@H](C)CCC[C@H]3C)nc2[nH]1 ZINC001163547237 968058580 /nfs/dbraw/zinc/05/85/80/968058580.db2.gz XOCVWUDXVLQTMH-RKDXNWHRSA-N 0 1 245.330 2.380 20 0 BEADMN Cc1nnc(CNCCCC(C)(F)F)s1 ZINC000698314232 968059855 /nfs/dbraw/zinc/05/98/55/968059855.db2.gz UEAZSLMHHAXBDO-UHFFFAOYSA-N 0 1 235.303 2.372 20 0 BEADMN Cc1cc2nc(C3(C)COC3)[nH]c2cc1F ZINC001250559059 968069238 /nfs/dbraw/zinc/06/92/38/968069238.db2.gz QMGKOOHAQXZBOQ-UHFFFAOYSA-N 0 1 220.247 2.298 20 0 BEADMN c1c2c(cc3[nH]c([C@@H]4CCCO4)nc13)OCC2 ZINC001250562274 968072546 /nfs/dbraw/zinc/07/25/46/968072546.db2.gz LIWIFIIPKLJXDB-NSHDSACASA-N 0 1 230.267 2.349 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380871060 968084838 /nfs/dbraw/zinc/08/48/38/968084838.db2.gz MGYMNVLOPCRLMT-WHOHXGKFSA-N 0 1 227.348 2.464 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000381460922 968091464 /nfs/dbraw/zinc/09/14/64/968091464.db2.gz JQGLYTXYVSMLBS-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN COCCc1nc2ccc3ncccc3c2[nH]1 ZINC001250594612 968127220 /nfs/dbraw/zinc/12/72/20/968127220.db2.gz HUBBSLLNSJNFOT-UHFFFAOYSA-N 0 1 227.267 2.300 20 0 BEADMN COCCc1nc2c([nH]1)c(F)c(F)cc2F ZINC001250595299 968128024 /nfs/dbraw/zinc/12/80/24/968128024.db2.gz MZLOUBFIUJQQPY-UHFFFAOYSA-N 0 1 230.189 2.169 20 0 BEADMN Cc1cc(O)cc(-c2nc3nc[nH]c3c(C)n2)c1 ZINC001206204206 968129993 /nfs/dbraw/zinc/12/99/93/968129993.db2.gz GAEBYRFXASOQCM-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN c1cc2c(ccnc2N2CCCCO2)[nH]1 ZINC001163928851 968134217 /nfs/dbraw/zinc/13/42/17/968134217.db2.gz SJBFGZKTXOQLMQ-UHFFFAOYSA-N 0 1 203.245 2.095 20 0 BEADMN COc1ccc(OC)c(C2=CCCN(C)C2)c1 ZINC001250614524 968161315 /nfs/dbraw/zinc/16/13/15/968161315.db2.gz BJWCFHOTSKTWKU-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)no1 ZINC001250621883 968167831 /nfs/dbraw/zinc/16/78/31/968167831.db2.gz XDUATEUROUJEHR-UHFFFAOYSA-N 0 1 227.223 2.153 20 0 BEADMN Cn1c(CN[C@H]2C=CCC2)nc2ccccc21 ZINC000698306789 968173561 /nfs/dbraw/zinc/17/35/61/968173561.db2.gz LNBJESGTSSIJSX-NSHDSACASA-N 0 1 227.311 2.382 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)cc1O ZINC001206268149 968186988 /nfs/dbraw/zinc/18/69/88/968186988.db2.gz PUYPMWFTVPGSHX-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN Cc1cc2nc(-c3cncnc3)[nH]c2cc1F ZINC001250667798 968195227 /nfs/dbraw/zinc/19/52/27/968195227.db2.gz JQAZUTBVCQDMIT-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ccc2nc(-c3nc(C)c[nH]3)[nH]c2c1 ZINC001250735540 968198362 /nfs/dbraw/zinc/19/83/62/968198362.db2.gz KNEQEZBTKWWGJS-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN COc1cccc([C@@H](O)CN2CC3(CCC3)C2)c1 ZINC001250706045 968200119 /nfs/dbraw/zinc/20/01/19/968200119.db2.gz STHVSXBIAOKPTO-AWEZNQCLSA-N 0 1 247.338 2.215 20 0 BEADMN CCOc1ccc2nc(-c3ccncn3)[nH]c2c1 ZINC001250863513 968210119 /nfs/dbraw/zinc/21/01/19/968210119.db2.gz GQOHAXGUFLBDBV-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN COc1ccc2nc(-c3nccnc3C)[nH]c2c1 ZINC001250920360 968213827 /nfs/dbraw/zinc/21/38/27/968213827.db2.gz NVNSUYOBBCAEDF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cn1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001206309886 968219067 /nfs/dbraw/zinc/21/90/67/968219067.db2.gz NWTIFPPWFSISIO-CHWSQXEVSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1[C@@H]1C=CCCC1 ZINC000397057313 968240597 /nfs/dbraw/zinc/24/05/97/968240597.db2.gz USKDRLNSJNFWTH-IJLUTSLNSA-N 0 1 223.316 2.280 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@]23C[C@@H]2CCCC3)n1 ZINC001118983260 968260908 /nfs/dbraw/zinc/26/09/08/968260908.db2.gz BSUJQXHWHPLSRW-ZANVPECISA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@]23C[C@@H]2CCCC3)n[nH]1 ZINC001118983260 968260915 /nfs/dbraw/zinc/26/09/15/968260915.db2.gz BSUJQXHWHPLSRW-ZANVPECISA-N 0 1 248.330 2.447 20 0 BEADMN Cc1nc(-c2nc3ccc(F)cc3[nH]2)c[nH]1 ZINC001251115030 968265352 /nfs/dbraw/zinc/26/53/52/968265352.db2.gz XZZAJWPAMDWTNM-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN COc1ccc2nc(-c3ncc(F)cn3)[nH]c2c1 ZINC001251381673 968286466 /nfs/dbraw/zinc/28/64/66/968286466.db2.gz KKCAKHYARYQBPP-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Fc1cccc(SCc2nnc[nH]2)c1 ZINC001165768933 968294464 /nfs/dbraw/zinc/29/44/64/968294464.db2.gz OKQZVRJUHVHDTR-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN Cc1cnc(N[C@H](C)CCO)c2[nH]ccc21 ZINC001165865630 968299756 /nfs/dbraw/zinc/29/97/56/968299756.db2.gz ACXQWWACXJMLHA-SECBINFHSA-N 0 1 219.288 2.054 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CC=CCC1)C1CC1 ZINC000402226427 968307127 /nfs/dbraw/zinc/30/71/27/968307127.db2.gz VTSKSMWWNRYQLO-GHMZBOCLSA-N 0 1 223.316 2.280 20 0 BEADMN CC(C)c1ccc2nc(-c3cnnn3C)[nH]c2c1 ZINC001251717171 968309000 /nfs/dbraw/zinc/30/90/00/968309000.db2.gz AIARYFIWOKDSHW-UHFFFAOYSA-N 0 1 241.298 2.482 20 0 BEADMN Cc1nonc1-c1nc2c(cc(F)cc2C)[nH]1 ZINC001251802344 968341409 /nfs/dbraw/zinc/34/14/09/968341409.db2.gz KBCINUGMUFGHNM-UHFFFAOYSA-N 0 1 232.218 2.369 20 0 BEADMN COc1cccnc1CN1CC[C@@](C)(CF)C1 ZINC001206610277 968418337 /nfs/dbraw/zinc/41/83/37/968418337.db2.gz CYFNTPRQHOSNOW-ZDUSSCGKSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cccnc1C[N@H+]1CCC[C@H](C)C1 ZINC001206611554 968419000 /nfs/dbraw/zinc/41/90/00/968419000.db2.gz WPRHYOIMKHZDBE-NSHDSACASA-N 0 1 220.316 2.322 20 0 BEADMN COc1ccnc(NC[C@@H](O)c2ccccc2)c1 ZINC001251978184 968420070 /nfs/dbraw/zinc/42/00/70/968420070.db2.gz JXUWFWVMBVMWGO-CYBMUJFWSA-N 0 1 244.294 2.236 20 0 BEADMN COc1cccnc1CN(C)C1CC(C)C1 ZINC001206611049 968420944 /nfs/dbraw/zinc/42/09/44/968420944.db2.gz QZUIOYCFKRILBC-UHFFFAOYSA-N 0 1 220.316 2.321 20 0 BEADMN O[C@H](CN1CCc2occc2C1)c1ccccc1 ZINC001251992342 968427235 /nfs/dbraw/zinc/42/72/35/968427235.db2.gz PJIQOHJGSZKSTA-CQSZACIVSA-N 0 1 243.306 2.371 20 0 BEADMN O[C@@H](CNCc1cccnc1F)c1ccccc1 ZINC001252003501 968430488 /nfs/dbraw/zinc/43/04/88/968430488.db2.gz QYSZPMUQFWQCHF-ZDUSSCGKSA-N 0 1 246.285 2.044 20 0 BEADMN O[C@H](CNCc1ccncc1F)c1ccccc1 ZINC001252003465 968430795 /nfs/dbraw/zinc/43/07/95/968430795.db2.gz QBBCZNOBDDKWDX-CQSZACIVSA-N 0 1 246.285 2.044 20 0 BEADMN CCC1(NC(=O)c2[nH]nc3c2CCCC3)CCC1 ZINC000175458929 968435391 /nfs/dbraw/zinc/43/53/91/968435391.db2.gz NOJLZCHRBCVPSX-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN OCCCCCN1CCCC(F)(F)[C@H](F)C1 ZINC001206745090 968452507 /nfs/dbraw/zinc/45/25/07/968452507.db2.gz PGESVDVRHJOKBG-SNVBAGLBSA-N 0 1 239.281 2.218 20 0 BEADMN COc1cnnc(-c2cc(F)c(O)cc2F)c1 ZINC001206755041 968457252 /nfs/dbraw/zinc/45/72/52/968457252.db2.gz DNMHJHRJSNCPKD-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN CC=C(NC=[NH2+])c1cc(F)c([O-])cc1F ZINC001206755480 968458733 /nfs/dbraw/zinc/45/87/33/968458733.db2.gz KQURMDYUHKQUMC-MBXJOHMKSA-N 0 1 212.199 2.228 20 0 BEADMN Fc1cccnc1CNCC1SCCS1 ZINC001206810418 968486171 /nfs/dbraw/zinc/48/61/71/968486171.db2.gz RFEWXJIFUSRUGP-UHFFFAOYSA-N 0 1 244.360 2.116 20 0 BEADMN Cc1ccnc(CN2CC3(C2)CCCOC3)c1 ZINC001206847688 968495326 /nfs/dbraw/zinc/49/53/26/968495326.db2.gz ZUMDPNNQHRINRA-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1ncccc1CN(C)Cc1ccc[nH]c1=O ZINC001207008328 968541424 /nfs/dbraw/zinc/54/14/24/968541424.db2.gz DVWSFTCLYKJOSY-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CO[C@H]1CN(Cc2cccc(C)c2C)C[C@@H]1F ZINC001205061018 968544963 /nfs/dbraw/zinc/54/49/63/968544963.db2.gz ZEFLERIDXJHDQD-KBPBESRZSA-N 0 1 237.318 2.472 20 0 BEADMN CCCN(Cc1ncccn1)[C@H](C)CC ZINC001207010982 968550892 /nfs/dbraw/zinc/55/08/92/968550892.db2.gz CLIXFAOXUPXBNV-LLVKDONJSA-N 0 1 207.321 2.487 20 0 BEADMN CO[C@H]1CCN(Cc2ncccc2F)[C@@H](C)C1 ZINC001207036949 968569417 /nfs/dbraw/zinc/56/94/17/968569417.db2.gz JASQILKREREFJJ-QWRGUYRKSA-N 0 1 238.306 2.220 20 0 BEADMN COCCN(Cc1ccc(F)cn1)C(C)C ZINC001207042257 968572910 /nfs/dbraw/zinc/57/29/10/968572910.db2.gz YHTSQAIZVCGZNZ-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN CC(C)CN(C)Cc1ncc2ccccn21 ZINC001207048601 968580863 /nfs/dbraw/zinc/58/08/63/968580863.db2.gz XUPUIJAULYVLTE-UHFFFAOYSA-N 0 1 217.316 2.422 20 0 BEADMN Cc1ncc(CN2CC[C@@H]3CCO[C@H]3C2)s1 ZINC001207058967 968591809 /nfs/dbraw/zinc/59/18/09/968591809.db2.gz JVMRFVKXMKBXQH-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1cnc(CN2CCC[C@H](F)CC2)cn1 ZINC001207072686 968604111 /nfs/dbraw/zinc/60/41/11/968604111.db2.gz LOEKUGDEKYJJST-NSHDSACASA-N 0 1 223.295 2.109 20 0 BEADMN O=c1cccc(CN2CCC(C(F)F)CC2)[nH]1 ZINC001207073214 968604951 /nfs/dbraw/zinc/60/49/51/968604951.db2.gz GUVQTWVDUGNFTE-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN CCc1nccc(CN2CCC[C@@H]3C[C@@H]32)n1 ZINC001207089063 968621182 /nfs/dbraw/zinc/62/11/82/968621182.db2.gz CPFKQHYNSOWZRT-PWSUYJOCSA-N 0 1 217.316 2.023 20 0 BEADMN CCc1nccc(CN2CCC[C@@H](CF)C2)n1 ZINC001207088857 968623133 /nfs/dbraw/zinc/62/31/33/968623133.db2.gz VPXLIMIVYLIHFA-NSHDSACASA-N 0 1 237.322 2.221 20 0 BEADMN CC(C)(O)CNCc1nccc(Cl)c1Cl ZINC001252368123 968648239 /nfs/dbraw/zinc/64/82/39/968648239.db2.gz DNZXDAXVRATJCW-UHFFFAOYSA-N 0 1 249.141 2.249 20 0 BEADMN CC(=O)N(C)C[C@H]1CCN1Cc1ccc(C)cc1 ZINC001085446132 968712504 /nfs/dbraw/zinc/71/25/04/968712504.db2.gz XBHSITDAZFRSII-OAHLLOKOSA-N 0 1 246.354 2.048 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc2ocnc21 ZINC000828071670 968750757 /nfs/dbraw/zinc/75/07/57/968750757.db2.gz WSYYUWPHMHIIPF-UHFFFAOYSA-N 0 1 247.298 2.107 20 0 BEADMN COc1cccc(CCN2CC[C@H](F)C2)c1 ZINC001207428358 968766895 /nfs/dbraw/zinc/76/68/95/968766895.db2.gz CRLSNNMSLZPBOD-LBPRGKRZSA-N 0 1 223.291 2.282 20 0 BEADMN CC[C@@H]1COCCN1CCc1cccc(OC)c1 ZINC001207431803 968770203 /nfs/dbraw/zinc/77/02/03/968770203.db2.gz VHOBRBHXPNOXAH-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cc(CN(C)C[C@H]2C[C@H]2C)sn1 ZINC001207665120 968856479 /nfs/dbraw/zinc/85/64/79/968856479.db2.gz IFPBSXYPTUDMKA-RKDXNWHRSA-N 0 1 226.345 2.240 20 0 BEADMN CCCOC1CN(CC2CCSCC2)C1 ZINC001207747254 968874151 /nfs/dbraw/zinc/87/41/51/968874151.db2.gz HUBQPICICSHWEL-UHFFFAOYSA-N 0 1 229.389 2.240 20 0 BEADMN CCOC(=O)C1CN(C[C@H](C)c2ccccc2)C1 ZINC001207910394 968929902 /nfs/dbraw/zinc/92/99/02/968929902.db2.gz PSNFLGKTBSRINL-LBPRGKRZSA-N 0 1 247.338 2.285 20 0 BEADMN Cc1ccc(CCCN2CCn3nccc3C2)o1 ZINC001207950776 968947924 /nfs/dbraw/zinc/94/79/24/968947924.db2.gz RIJXCOBDDSIODP-UHFFFAOYSA-N 0 1 245.326 2.233 20 0 BEADMN CN1CC=C(c2cc(C3CCC3)ncn2)CC1 ZINC001241318145 968971885 /nfs/dbraw/zinc/97/18/85/968971885.db2.gz ZQOYFYXEMOTCMR-UHFFFAOYSA-N 0 1 229.327 2.463 20 0 BEADMN Cc1ccc(-c2cnc(CN)nc2)c(F)c1 ZINC001241353179 968983721 /nfs/dbraw/zinc/98/37/21/968983721.db2.gz AAKXWSOYLGVOKG-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN CC/C=C\CCCN1CCn2ccnc2C1 ZINC001208134579 969034147 /nfs/dbraw/zinc/03/41/47/969034147.db2.gz MIDQOGCFCJDRQJ-ARJAWSKDSA-N 0 1 219.332 2.445 20 0 BEADMN CC/C=C\CCC[N@H+]1CCn2ccnc2C1 ZINC001208134579 969034142 /nfs/dbraw/zinc/03/41/42/969034142.db2.gz MIDQOGCFCJDRQJ-ARJAWSKDSA-N 0 1 219.332 2.445 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1C[C@H](O)c1ccc(F)cc1 ZINC001252839176 969035327 /nfs/dbraw/zinc/03/53/27/969035327.db2.gz FSJIDSFVGVEFKH-WQAKAFBOSA-N 0 1 241.281 2.291 20 0 BEADMN CC/C=C\CCCN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001208134948 969038160 /nfs/dbraw/zinc/03/81/60/969038160.db2.gz TXHXZDIVWRTUQK-LDIIPZEWSA-N 0 1 247.329 2.477 20 0 BEADMN CC/C=C\CCCN(CC)CC(=O)OC ZINC001208136977 969040176 /nfs/dbraw/zinc/04/01/76/969040176.db2.gz FCYXMURUSAZOBI-SREVYHEPSA-N 0 1 213.321 2.228 20 0 BEADMN Cc1cc(C)nc(C2=CCCN(C)C2)c1 ZINC001241566491 969056693 /nfs/dbraw/zinc/05/66/93/969056693.db2.gz XMVGGOUZPXECAS-UHFFFAOYSA-N 0 1 202.301 2.417 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1cc(C)nn1C ZINC001208141397 969059381 /nfs/dbraw/zinc/05/93/81/969059381.db2.gz KYBPCAUZMSCUFR-NSHDSACASA-N 0 1 241.404 2.302 20 0 BEADMN CN1CCC=C(c2cc(F)c3nccn3c2)C1 ZINC001241572078 969067214 /nfs/dbraw/zinc/06/72/14/969067214.db2.gz ODYMKGLLOQYTHH-UHFFFAOYSA-N 0 1 231.274 2.192 20 0 BEADMN CN(C)c1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685324 969090310 /nfs/dbraw/zinc/09/03/10/969090310.db2.gz JPSNJPNMJOMOHD-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN c1nc2c(c(C3=CCCCC3)n1)CNC2 ZINC001241714737 969091287 /nfs/dbraw/zinc/09/12/87/969091287.db2.gz JNVJAHUWAOCKIS-UHFFFAOYSA-N 0 1 201.273 2.037 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208182917 969113770 /nfs/dbraw/zinc/11/37/70/969113770.db2.gz WDKBHNXJROYYMV-RWMBFGLXSA-N 0 1 239.359 2.472 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1ccc(F)cn1 ZINC001241807443 969119185 /nfs/dbraw/zinc/11/91/85/969119185.db2.gz BXQPCZDEVMJTRY-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COC(=O)[C@H](C)[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723413068 969128402 /nfs/dbraw/zinc/12/84/02/969128402.db2.gz NRCWIYGLIJUVGA-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)[C@H](C)N(C)C1CCC2(CC2)CC1 ZINC000723413068 969128407 /nfs/dbraw/zinc/12/84/07/969128407.db2.gz NRCWIYGLIJUVGA-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN O[C@@H](CNC1(CF)CC1)c1ccc(F)c(F)c1 ZINC001253343990 969136438 /nfs/dbraw/zinc/13/64/38/969136438.db2.gz QULMCWCRFAUNIL-NSHDSACASA-N 0 1 245.244 2.090 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)CCC2CC2)[nH]1 ZINC001253393717 969154097 /nfs/dbraw/zinc/15/40/97/969154097.db2.gz UFZFKLSVNPLFNM-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CCCCC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC001253520185 969197106 /nfs/dbraw/zinc/19/71/06/969197106.db2.gz UMPOQENSZAMAHM-XQQFMLRXSA-N 0 1 229.364 2.037 20 0 BEADMN COc1cc2[nH]cnc2cc1C1=CCOCC1 ZINC001242075989 969200123 /nfs/dbraw/zinc/20/01/23/969200123.db2.gz SOXGODFKAHUSJC-UHFFFAOYSA-N 0 1 230.267 2.375 20 0 BEADMN CCCCC[C@H](O)CN1CCC(=O)[C@@H](C)CC1 ZINC001253525194 969202130 /nfs/dbraw/zinc/20/21/30/969202130.db2.gz KPZGVVKGRRIZBX-STQMWFEESA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@@H](O)CN1CCCCC12COC2 ZINC001253532854 969204614 /nfs/dbraw/zinc/20/46/14/969204614.db2.gz NAYVTVLUNJRLJG-CYBMUJFWSA-N 0 1 241.375 2.183 20 0 BEADMN CCCCC[C@@H](O)CNc1c(C)ncn1C ZINC001253531849 969205662 /nfs/dbraw/zinc/20/56/62/969205662.db2.gz RRNCDTAKYDCSPC-LLVKDONJSA-N 0 1 225.336 2.082 20 0 BEADMN CCCCC[C@@H](O)CN1C[C@@H](C)OC[C@@H]1C ZINC001253540271 969212136 /nfs/dbraw/zinc/21/21/36/969212136.db2.gz DYTDMEDNPHBSKS-YNEHKIRRSA-N 0 1 229.364 2.037 20 0 BEADMN c1cc2c(nc1NCCC1CCC1)NCCO2 ZINC001168889112 969246357 /nfs/dbraw/zinc/24/63/57/969246357.db2.gz BZFJHXITECDKPP-UHFFFAOYSA-N 0 1 233.315 2.488 20 0 BEADMN c1cc2c(o1)CCN(C[C@H]1CCC=CO1)C2 ZINC001208882621 969268581 /nfs/dbraw/zinc/26/85/81/969268581.db2.gz NBMYOLJOSHSFMU-GFCCVEGCSA-N 0 1 219.284 2.330 20 0 BEADMN CC(=O)[C@@H]1CCCCN1C[C@H]1CCC=CO1 ZINC001208883034 969268650 /nfs/dbraw/zinc/26/86/50/969268650.db2.gz QSWXPVDRCBOYCB-OLZOCXBDSA-N 0 1 223.316 2.123 20 0 BEADMN c1cc2c(cn1)CN(C[C@@H]1CCC=CO1)CC2 ZINC001208879936 969269320 /nfs/dbraw/zinc/26/93/20/969269320.db2.gz JYESWBYMHLBVMG-AWEZNQCLSA-N 0 1 230.311 2.132 20 0 BEADMN c1cc2c(o1)CCN(C[C@@H]1CCC=CO1)C2 ZINC001208882624 969272047 /nfs/dbraw/zinc/27/20/47/969272047.db2.gz NBMYOLJOSHSFMU-LBPRGKRZSA-N 0 1 219.284 2.330 20 0 BEADMN CC(=O)N(C)C1CN(CC2(C)CCCCC2)C1 ZINC001208900283 969290085 /nfs/dbraw/zinc/29/00/85/969290085.db2.gz QYACOCUOSCMABZ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CN(C)C(=O)CN1CC1(C)CCCCC1 ZINC001208903589 969292024 /nfs/dbraw/zinc/29/20/24/969292024.db2.gz SMTYBAOHQUXPMA-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC(=O)C1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC001208905787 969297853 /nfs/dbraw/zinc/29/78/53/969297853.db2.gz QYFGQILBEYXLEM-MRVPVSSYSA-N 0 1 237.265 2.486 20 0 BEADMN CCC(=O)C(C)(C)CN1CCOC(C)(C)C1 ZINC001208916034 969299110 /nfs/dbraw/zinc/29/91/10/969299110.db2.gz MIOCQGMDDJUZHD-UHFFFAOYSA-N 0 1 227.348 2.103 20 0 BEADMN CCC(=O)C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1 ZINC001208915757 969301773 /nfs/dbraw/zinc/30/17/73/969301773.db2.gz JSFATVPIHLMJFU-PHIMTYICSA-N 0 1 227.348 2.101 20 0 BEADMN CCC(=O)C(C)(C)CN1C[C@@H](C)OC[C@H]1C ZINC001208921896 969309220 /nfs/dbraw/zinc/30/92/20/969309220.db2.gz RSSVQUDADWUGML-GHMZBOCLSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1cn2cc(NC[C@@H](O)C(C)(C)C)ccc2n1 ZINC001253716942 969342217 /nfs/dbraw/zinc/34/22/17/969342217.db2.gz CCPSXUUFJAWQTM-GFCCVEGCSA-N 0 1 247.342 2.462 20 0 BEADMN Cc1cnc(CN)n1-c1cc(F)cc2cc[nH]c21 ZINC001169028556 969347465 /nfs/dbraw/zinc/34/74/65/969347465.db2.gz LYPOVJVOYJZQSX-UHFFFAOYSA-N 0 1 244.273 2.260 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2onc(C)c2c1 ZINC001169029859 969347772 /nfs/dbraw/zinc/34/77/72/969347772.db2.gz VWWPTVWYYZABCE-UHFFFAOYSA-N 0 1 242.282 2.089 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2[nH]ccc2c1F ZINC001169030960 969351474 /nfs/dbraw/zinc/35/14/74/969351474.db2.gz QUIXYRAQBOXKKD-UHFFFAOYSA-N 0 1 244.273 2.260 20 0 BEADMN Cc1cnc(CN)n1-c1ccc(C(C)(C)C)nc1 ZINC001169030978 969352904 /nfs/dbraw/zinc/35/29/04/969352904.db2.gz RXRIRTYFNIPPJF-UHFFFAOYSA-N 0 1 244.342 2.332 20 0 BEADMN CC(=O)[C@H](NC[C@H](O)C(C)(C)C)c1ccccc1 ZINC001253741985 969362827 /nfs/dbraw/zinc/36/28/27/969362827.db2.gz RLRMXMZHGKZBSR-KBPBESRZSA-N 0 1 249.354 2.313 20 0 BEADMN Cc1ccc(C(=O)CNC[C@@H](O)C(C)(C)C)cc1 ZINC001253745175 969365904 /nfs/dbraw/zinc/36/59/04/969365904.db2.gz HPDUOWRSTDQVOE-CQSZACIVSA-N 0 1 249.354 2.174 20 0 BEADMN C[C@H]1CCN(CCCc2ccncc2)CCC1=O ZINC001209186001 969374005 /nfs/dbraw/zinc/37/40/05/969374005.db2.gz XHYMCMFIJWKSRH-ZDUSSCGKSA-N 0 1 246.354 2.315 20 0 BEADMN c1csc(CCN2CCOC3(CC3)C2)c1 ZINC001209228468 969410670 /nfs/dbraw/zinc/41/06/70/969410670.db2.gz HFPZMQJKEXEWGS-UHFFFAOYSA-N 0 1 223.341 2.155 20 0 BEADMN Cc1ccc2c(ccnc2N[C@H]2COC(=O)C2)c1 ZINC001169119275 969412522 /nfs/dbraw/zinc/41/25/22/969412522.db2.gz CWRMOGUAIDVZDD-LLVKDONJSA-N 0 1 242.278 2.271 20 0 BEADMN CCCCN1CC(N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001323993743 1169935978 /nfs/dbraw/zinc/93/59/78/1169935978.db2.gz XFSPSXORHLTQJE-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc2c(cn1)CN(C[C@H]1C[C@H]1C)C2 ZINC001209422637 969487515 /nfs/dbraw/zinc/48/75/15/969487515.db2.gz XFPWKMDZNXOMGE-MWLCHTKSSA-N 0 1 202.301 2.362 20 0 BEADMN c1nc(CN2CCCC2)cc2c1OCCC2 ZINC001209501055 969529083 /nfs/dbraw/zinc/52/90/83/969529083.db2.gz ZACYPDRFVKBNMH-UHFFFAOYSA-N 0 1 218.300 2.002 20 0 BEADMN COc1ncc(C)cc1NCc1cc(C)[nH]n1 ZINC001254195619 969536664 /nfs/dbraw/zinc/53/66/64/969536664.db2.gz AVIAHFSSOASHRS-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN FC1(F)CCC(NCc2ncco2)CC1 ZINC001254207269 969537185 /nfs/dbraw/zinc/53/71/85/969537185.db2.gz FCAOBEDUIMNFKZ-UHFFFAOYSA-N 0 1 216.231 2.342 20 0 BEADMN Cc1n[nH]cc1CN1CCCC[C@@](C)(F)C1 ZINC001209555303 969542405 /nfs/dbraw/zinc/54/24/05/969542405.db2.gz ZVUZMMCJZJYJHJ-GFCCVEGCSA-N 0 1 225.311 2.432 20 0 BEADMN FC1(F)CCC(N2CC3(C2)CCCO3)CC1 ZINC001254218776 969544142 /nfs/dbraw/zinc/54/41/42/969544142.db2.gz UEUCYAFYZORHHK-UHFFFAOYSA-N 0 1 231.286 2.429 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)[nH]1 ZINC001209568089 969551840 /nfs/dbraw/zinc/55/18/40/969551840.db2.gz CNXYOYKYXSHYRD-GXTWGEPZSA-N 0 1 234.343 2.324 20 0 BEADMN Cc1ccc(CN2CC(c3cccnc3)C2)[nH]1 ZINC001209574490 969558245 /nfs/dbraw/zinc/55/82/45/969558245.db2.gz NWDMUPGNBPRWJL-UHFFFAOYSA-N 0 1 227.311 2.318 20 0 BEADMN C[C@H]1CCN1Cc1nn(C)c2ccccc12 ZINC001209578108 969560879 /nfs/dbraw/zinc/56/08/79/969560879.db2.gz DOLANILGRUIFNY-JTQLQIEISA-N 0 1 215.300 2.168 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2c(c1)OCCN2 ZINC001209721954 969582035 /nfs/dbraw/zinc/58/20/35/969582035.db2.gz AGZBQDRGEMZBEO-UHFFFAOYSA-N 0 1 244.298 2.276 20 0 BEADMN Cc1cc([C@@H]2CCCN2[C@H]2CCCOC2)no1 ZINC001254375994 969593141 /nfs/dbraw/zinc/59/31/41/969593141.db2.gz UQXOQJIVMHZMJA-AAEUAGOBSA-N 0 1 236.315 2.299 20 0 BEADMN Cc1cc([C@@H]2CCCN2[C@@H]2CCCOC2)no1 ZINC001254376010 969593240 /nfs/dbraw/zinc/59/32/40/969593240.db2.gz UQXOQJIVMHZMJA-YPMHNXCESA-N 0 1 236.315 2.299 20 0 BEADMN c1ncn2c1CN(C1CCC3(CC3)CC1)CC2 ZINC001254448306 969636872 /nfs/dbraw/zinc/63/68/72/969636872.db2.gz RJAHHVFOWSXFSA-UHFFFAOYSA-N 0 1 231.343 2.422 20 0 BEADMN CC(C)Oc1ccc(-n2cncc2N)c(F)c1 ZINC001209834262 969650571 /nfs/dbraw/zinc/65/05/71/969650571.db2.gz DDADTAJFXLXLPG-UHFFFAOYSA-N 0 1 235.262 2.381 20 0 BEADMN Cc1nsc(Nc2ccc3nc[nH]c3c2)n1 ZINC001209841415 969654530 /nfs/dbraw/zinc/65/45/30/969654530.db2.gz NNNPBORRCWBPFL-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN COc1cc(C)c(Nc2c(C)ncn2C)cn1 ZINC001209872821 969673771 /nfs/dbraw/zinc/67/37/71/969673771.db2.gz WRVUKWMMCIEKME-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN CC[C@H](C)[C@@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001169508354 969696396 /nfs/dbraw/zinc/69/63/96/969696396.db2.gz ZDNIMMMQWAAWNM-LOWVWBTDSA-N 0 1 239.359 2.101 20 0 BEADMN CO[C@H](C)c1cccc(-n2cnc(C)c2N)c1 ZINC001209951832 969712244 /nfs/dbraw/zinc/71/22/44/969712244.db2.gz YJEHDZDQASACNF-SNVBAGLBSA-N 0 1 231.299 2.470 20 0 BEADMN Cc1cc(N)ncc1Nc1nnc(C(C)(C)C)o1 ZINC001209961187 969722104 /nfs/dbraw/zinc/72/21/04/969722104.db2.gz DMHOTFIODLYVLU-UHFFFAOYSA-N 0 1 247.302 2.396 20 0 BEADMN Cc1cc(N)ncc1Nc1ncc(Cl)cc1N ZINC001209965314 969724235 /nfs/dbraw/zinc/72/42/35/969724235.db2.gz QKYPHVKSEFAZTB-UHFFFAOYSA-N 0 1 249.705 2.346 20 0 BEADMN C[C@@H](Nc1cccn2cncc12)c1cnccn1 ZINC001169536115 969730604 /nfs/dbraw/zinc/73/06/04/969730604.db2.gz DJQFFDNGKNYLOU-SNVBAGLBSA-N 0 1 239.282 2.297 20 0 BEADMN C=C/C=C/CCN1CCN(CC)C(=O)[C@@H]1CC ZINC001169536398 969731749 /nfs/dbraw/zinc/73/17/49/969731749.db2.gz CFUWIOQJZVUUAV-GWJCSSMESA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cc(N)ncc1Nc1cnn(C(F)F)c1 ZINC001209965443 969732742 /nfs/dbraw/zinc/73/27/42/969732742.db2.gz CCCWAFYTWZTDFG-UHFFFAOYSA-N 0 1 239.229 2.307 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(F)ncc1F ZINC001209966370 969733512 /nfs/dbraw/zinc/73/35/12/969733512.db2.gz XUUUCIMKRSFJAT-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN C=C/C=C\CCN1CCN(CC)C(=O)[C@@H]1CC ZINC001169536402 969733703 /nfs/dbraw/zinc/73/37/03/969733703.db2.gz CFUWIOQJZVUUAV-WSROAFLRSA-N 0 1 236.359 2.061 20 0 BEADMN COc1ccc(O)c(Nc2cnc(N)cc2C)c1 ZINC001209967763 969738402 /nfs/dbraw/zinc/73/84/02/969738402.db2.gz RNERPNIBXWTNFS-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1cc(N)ncc1Nc1c(N)cccc1O ZINC001209971153 969741042 /nfs/dbraw/zinc/74/10/42/969741042.db2.gz RMGOBHWFHWRFLV-UHFFFAOYSA-N 0 1 230.271 2.004 20 0 BEADMN CN(C)c1ccccc1Nc1ccnc(CO)c1 ZINC001209989057 969752955 /nfs/dbraw/zinc/75/29/55/969752955.db2.gz ILQTZZNRMPTVSW-UHFFFAOYSA-N 0 1 243.310 2.384 20 0 BEADMN CCCCC=Nc1ncnc(OC)c1OC ZINC001210058221 969779444 /nfs/dbraw/zinc/77/94/44/969779444.db2.gz MPERKEIFVIEXDB-VOTSOKGWSA-N 0 1 223.276 2.220 20 0 BEADMN CCCCC=Nc1nccn2ccnc12 ZINC001210057369 969780531 /nfs/dbraw/zinc/78/05/31/969780531.db2.gz FHUTXYLGRSWPQF-SNAWJCMRSA-N 0 1 202.261 2.455 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ccnn1C ZINC001210100330 969799096 /nfs/dbraw/zinc/79/90/96/969799096.db2.gz NWDVLFKJPLQTQO-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1cc2n[nH]cc2cc1Nc1cncn1C ZINC001210101675 969802032 /nfs/dbraw/zinc/80/20/32/969802032.db2.gz JHWXLGOIADNTTB-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN OCc1cc(Nc2cccc(F)c2O)ccn1 ZINC001210195599 969826825 /nfs/dbraw/zinc/82/68/25/969826825.db2.gz OAETXBXSKIGXGD-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN C[C@@H]1CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC1=O ZINC001254944453 969833061 /nfs/dbraw/zinc/83/30/61/969833061.db2.gz BNJXILGMXDGVFM-NDBYEHHHSA-N 0 1 249.354 2.045 20 0 BEADMN O=C1C[C@H]2C[C@H](N3CCn4cccc4C3)C[C@H]2C1 ZINC001254954131 969836680 /nfs/dbraw/zinc/83/66/80/969836680.db2.gz OGVHKBDZINZWGX-IMRBUKKESA-N 0 1 244.338 2.061 20 0 BEADMN Cc1ccnc(NCc2ncccc2O)c1C ZINC001169732070 969837220 /nfs/dbraw/zinc/83/72/20/969837220.db2.gz HHTBQWRBISUHNQ-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)c(CO)c1 ZINC001210243927 969840465 /nfs/dbraw/zinc/84/04/65/969840465.db2.gz GJFSVWXSUSSQED-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN CC(C)n1ccc(Nc2noc3nccnc23)n1 ZINC001210336555 969869853 /nfs/dbraw/zinc/86/98/53/969869853.db2.gz XKHBVDVXLWEVFS-UHFFFAOYSA-N 0 1 244.258 2.139 20 0 BEADMN c1ncc(CCNc2cccn3cncc23)s1 ZINC001169867168 969878641 /nfs/dbraw/zinc/87/86/41/969878641.db2.gz GOGHNTNIWOWMCC-UHFFFAOYSA-N 0 1 244.323 2.445 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2ncncc2c1 ZINC001210456165 969893096 /nfs/dbraw/zinc/89/30/96/969893096.db2.gz LOOVEYDJGZRNDX-UHFFFAOYSA-N 0 1 239.282 2.415 20 0 BEADMN COCOc1ccc(-n2cnc(C)c2N)c(C)c1 ZINC001210490163 969905391 /nfs/dbraw/zinc/90/53/91/969905391.db2.gz JTZRHMPVQIWNRA-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN CCc1nnc(CN2CC[C@@H]3CCCC[C@H]3C2)[nH]1 ZINC001255095591 969930127 /nfs/dbraw/zinc/93/01/27/969930127.db2.gz KNYHBPPKSCZXAX-RYUDHWBXSA-N 0 1 248.374 2.379 20 0 BEADMN CCc1nnc(Cc2ccc3nc[nH]c3c2)o1 ZINC001255096840 969935652 /nfs/dbraw/zinc/93/56/52/969935652.db2.gz OZYSODOVZOFJDW-UHFFFAOYSA-N 0 1 228.255 2.099 20 0 BEADMN OCc1cc(Nc2ccc3ocnc3c2)ccn1 ZINC001210570984 969948296 /nfs/dbraw/zinc/94/82/96/969948296.db2.gz JVNUBORVXPYKJS-UHFFFAOYSA-N 0 1 241.250 2.459 20 0 BEADMN C1CC(c2nnc(C34CCN(CC3)CC4)o2)C1 ZINC001255202057 970003708 /nfs/dbraw/zinc/00/37/08/970003708.db2.gz OIWOVJIHBKCAMF-UHFFFAOYSA-N 0 1 233.315 2.074 20 0 BEADMN Cc1oncc1-c1cnc2nc[nH]c2c1C ZINC001242602304 970009742 /nfs/dbraw/zinc/00/97/42/970009742.db2.gz DRQQSARJRAWRKO-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCN(C)c1cc(C)nc(N2CC3CC(C3)C2)n1 ZINC001156887934 970021176 /nfs/dbraw/zinc/02/11/76/970021176.db2.gz QCWRYDQFRBPCMN-UHFFFAOYSA-N 0 1 246.358 2.087 20 0 BEADMN O=C(CN[C@@H]1CCSC1)c1cccc(F)c1 ZINC001255276476 970027215 /nfs/dbraw/zinc/02/72/15/970027215.db2.gz SSZFPKQEOUAVOK-LLVKDONJSA-N 0 1 239.315 2.104 20 0 BEADMN O=C1c2ccccc2CC[C@H]1N[C@H]1CCSC1 ZINC001255278964 970029022 /nfs/dbraw/zinc/02/90/22/970029022.db2.gz KXOLGJYXLQJZMA-WCQYABFASA-N 0 1 247.363 2.279 20 0 BEADMN C[C@]1(F)CCN([C@@H]2CCSC2)C[C@@H]1F ZINC001255281881 970036775 /nfs/dbraw/zinc/03/67/75/970036775.db2.gz GSJSETCUKPXGEZ-UTLUCORTSA-N 0 1 221.316 2.264 20 0 BEADMN CCc1cccc(C)c1-n1cncc1N ZINC001210874535 970056761 /nfs/dbraw/zinc/05/67/61/970056761.db2.gz HWXDWOQRAMJTSO-UHFFFAOYSA-N 0 1 201.273 2.325 20 0 BEADMN CCc1[nH]nc2ncc(Nc3ccncc3)cc21 ZINC001210881747 970060178 /nfs/dbraw/zinc/06/01/78/970060178.db2.gz MLMCQECXSMLEOO-UHFFFAOYSA-N 0 1 239.282 2.081 20 0 BEADMN C/C=C(\C)c1ccc(C(=O)N2CCNCC2)cc1 ZINC001242760349 970060970 /nfs/dbraw/zinc/06/09/70/970060970.db2.gz NZZAUHQAIURMTP-KGVSQERTSA-N 0 1 244.338 2.155 20 0 BEADMN OCc1cc(Nc2c[nH]c3ncccc23)ccn1 ZINC001210937026 970074320 /nfs/dbraw/zinc/07/43/20/970074320.db2.gz OYEPTFHEQHITGX-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN c1cc(NC[C@H]2COCCN2)cc(C2CCC2)c1 ZINC001170047561 970083717 /nfs/dbraw/zinc/08/37/17/970083717.db2.gz NPMYNSFLFXQKRZ-HNNXBMFYSA-N 0 1 246.354 2.354 20 0 BEADMN CCCC[C@H](C)N(CC)CC(=O)OC ZINC001255333270 970114719 /nfs/dbraw/zinc/11/47/19/970114719.db2.gz JEKVTKWZNPMLCA-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001112622454 970121790 /nfs/dbraw/zinc/12/17/90/970121790.db2.gz NPPWEQXIQVZHOK-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN CCCCN1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001112729542 970159646 /nfs/dbraw/zinc/15/96/46/970159646.db2.gz CPDZOZJTWFSYSA-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CC(C)CCC[C@H](C)N1CC2(C1)CS(=O)C2 ZINC001170076983 970173749 /nfs/dbraw/zinc/17/37/49/970173749.db2.gz CXLGUAISKXSBBW-LBPRGKRZSA-N 0 1 243.416 2.266 20 0 BEADMN Cc1nc(Nc2cncn2C)sc1C ZINC001211245404 970190281 /nfs/dbraw/zinc/19/02/81/970190281.db2.gz KEQWHWJEDDLIST-UHFFFAOYSA-N 0 1 208.290 2.237 20 0 BEADMN Cn1cncc1Nc1cnc(Cl)c(F)c1 ZINC001211247430 970192501 /nfs/dbraw/zinc/19/25/01/970192501.db2.gz ZYQZWLZJLCSXOH-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN Cn1cncc1Nc1csc2nccnc12 ZINC001211246665 970192602 /nfs/dbraw/zinc/19/26/02/970192602.db2.gz KEWXWTHGZXVVMR-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001170082904 970194758 /nfs/dbraw/zinc/19/47/58/970194758.db2.gz NGLTWLKJRLFAMH-NEPJUHHUSA-N 0 1 226.364 2.022 20 0 BEADMN Cn1cncc1Nc1ccc(C(F)F)cn1 ZINC001211248904 970196708 /nfs/dbraw/zinc/19/67/08/970196708.db2.gz RWSMYIPQKWNOMU-UHFFFAOYSA-N 0 1 224.214 2.496 20 0 BEADMN CC(=O)c1cc(Nc2cncn2C)ccc1O ZINC001211251420 970198218 /nfs/dbraw/zinc/19/82/18/970198218.db2.gz ZMLDMLOTFPFBIU-UHFFFAOYSA-N 0 1 231.255 2.072 20 0 BEADMN COCOc1cccc(Nc2cncn2C)c1 ZINC001211252019 970198622 /nfs/dbraw/zinc/19/86/22/970198622.db2.gz VTBVENHHNQIAQT-UHFFFAOYSA-N 0 1 233.271 2.146 20 0 BEADMN Cn1cncc1N1CCCc2cccc(N)c21 ZINC001211252015 970200367 /nfs/dbraw/zinc/20/03/67/970200367.db2.gz VODBFJRXUOABEO-UHFFFAOYSA-N 0 1 228.299 2.087 20 0 BEADMN CC(=O)NC1CN([C@@H](C)CCCC(C)C)C1 ZINC001170084123 970200431 /nfs/dbraw/zinc/20/04/31/970200431.db2.gz UFYFNASVCUZVHZ-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN COc1cnccc1Nc1cc(O)ccc1F ZINC001211263446 970207370 /nfs/dbraw/zinc/20/73/70/970207370.db2.gz RLSHOHQHWSMKIJ-UHFFFAOYSA-N 0 1 234.230 2.100 20 0 BEADMN COc1cccc(Nc2ccncc2OC)c1 ZINC001211263133 970208707 /nfs/dbraw/zinc/20/87/07/970208707.db2.gz ULZLGLXVTIIEMG-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN COc1cnccc1Nc1ccc2c(c1)OCC2 ZINC001211263901 970209477 /nfs/dbraw/zinc/20/94/77/970209477.db2.gz MJLFSCLVFOPCCV-UHFFFAOYSA-N 0 1 242.278 2.191 20 0 BEADMN CCc1ncsc1Nc1ccncc1OC ZINC001211262602 970213271 /nfs/dbraw/zinc/21/32/71/970213271.db2.gz HTHRFXMNVIIFKO-UHFFFAOYSA-N 0 1 235.312 2.275 20 0 BEADMN CC(C)(C)c1cc(-n2nccc2N)ccn1 ZINC001213160856 970283267 /nfs/dbraw/zinc/28/32/67/970283267.db2.gz OMEPASNNUBEKDK-UHFFFAOYSA-N 0 1 216.288 2.147 20 0 BEADMN CCc1coc(CN[C@@H]2CCOC(C)(C)C2)n1 ZINC001255523571 970283135 /nfs/dbraw/zinc/28/31/35/970283135.db2.gz FLLIUQLNQYMQQN-LLVKDONJSA-N 0 1 238.331 2.284 20 0 BEADMN CC(C)COc1ccccc1Nc1nonc1N ZINC001213249953 970292409 /nfs/dbraw/zinc/29/24/09/970292409.db2.gz SJSLCHFFJILRBW-UHFFFAOYSA-N 0 1 248.286 2.430 20 0 BEADMN C[C@@H]1CC[C@H](NCc2nccc(Cl)n2)C1 ZINC001170109399 970311246 /nfs/dbraw/zinc/31/12/46/970311246.db2.gz PGAKZBODARIJSY-BDAKNGLRSA-N 0 1 225.723 2.408 20 0 BEADMN C[C@@H]1CC[C@H](N[C@@H]2NC(=O)c3ccccc32)C1 ZINC001170110635 970314827 /nfs/dbraw/zinc/31/48/27/970314827.db2.gz ZVVOBTSZPAIGOM-GBIKHYSHSA-N 0 1 230.311 2.207 20 0 BEADMN Nc1cncn1-c1c(F)cccc1C1CC1 ZINC001213447530 970316019 /nfs/dbraw/zinc/31/60/19/970316019.db2.gz BQXJNIIWSYEYRJ-UHFFFAOYSA-N 0 1 217.247 2.471 20 0 BEADMN COC[C@H](C)NC(C)(C)C(=O)c1ccccc1 ZINC001255553979 970330269 /nfs/dbraw/zinc/33/02/69/970330269.db2.gz GBGWEIBAWLOOTE-NSHDSACASA-N 0 1 235.327 2.272 20 0 BEADMN COC[C@@H](C)NCc1cc(C(F)(F)F)ccn1 ZINC001255560622 970342799 /nfs/dbraw/zinc/34/27/99/970342799.db2.gz ULVNNEXPGHCJKR-MRVPVSSYSA-N 0 1 248.248 2.225 20 0 BEADMN COC[C@H](C)NCc1cc(C(F)(F)F)ccn1 ZINC001255560623 970344444 /nfs/dbraw/zinc/34/44/44/970344444.db2.gz ULVNNEXPGHCJKR-QMMMGPOBSA-N 0 1 248.248 2.225 20 0 BEADMN C[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc([O-])cc2)C1 ZINC001170120070 970350926 /nfs/dbraw/zinc/35/09/26/970350926.db2.gz DXBUGZMFENDLBL-ZYHUDNBSSA-N 0 1 233.311 2.353 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2nnc3ccccn32)C1 ZINC001170128823 970382853 /nfs/dbraw/zinc/38/28/53/970382853.db2.gz AGAMRQHRHOSJOM-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN COc1cccc(C2CC2)c1Nc1nonc1N ZINC001213811958 970384493 /nfs/dbraw/zinc/38/44/93/970384493.db2.gz FXXBCMGBGQZSOT-UHFFFAOYSA-N 0 1 246.270 2.281 20 0 BEADMN C[C@@H](CC(F)(F)F)Nc1cccnc1CN ZINC001255639418 970404731 /nfs/dbraw/zinc/40/47/31/970404731.db2.gz MBDSOUCCSYGQGP-ZETCQYMHSA-N 0 1 233.237 2.293 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302450118 970438684 /nfs/dbraw/zinc/43/86/84/970438684.db2.gz CHVJVLHIWWHRCZ-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN COc1ncnc2c1CCN([C@@H]1CC[C@@H](C)C1)C2 ZINC001170152226 970457469 /nfs/dbraw/zinc/45/74/69/970457469.db2.gz JTJHJEPYDVKJET-GHMZBOCLSA-N 0 1 247.342 2.032 20 0 BEADMN Cc1nonc1CN[C@H](C)Cc1ccc(C)cc1 ZINC001255772071 970476638 /nfs/dbraw/zinc/47/66/38/970476638.db2.gz DZINTWSEGSFVDI-LLVKDONJSA-N 0 1 245.326 2.407 20 0 BEADMN Cc1ccc(C[C@H](C)N2CCOCC2)cc1 ZINC001255784182 970486833 /nfs/dbraw/zinc/48/68/33/970486833.db2.gz LBKMMXUQLGICMJ-ZDUSSCGKSA-N 0 1 219.328 2.258 20 0 BEADMN Cc1nnc(CN)n1[C@@H](C)Cc1ccc(C)cc1 ZINC001255783822 970488306 /nfs/dbraw/zinc/48/83/06/970488306.db2.gz IXAWYTPWUHBKEI-NSHDSACASA-N 0 1 244.342 2.157 20 0 BEADMN Cc1ccc(C[C@H](C)N2CCC23COC3)cc1 ZINC001255791249 970491013 /nfs/dbraw/zinc/49/10/13/970491013.db2.gz CKQAWTJUFVUENL-ZDUSSCGKSA-N 0 1 231.339 2.401 20 0 BEADMN C[C@H](Cc1ccccc1F)N1CC2(COC2)C1 ZINC001255842432 970510506 /nfs/dbraw/zinc/51/05/06/970510506.db2.gz SEJPYWWFILKYIQ-LLVKDONJSA-N 0 1 235.302 2.089 20 0 BEADMN C[C@H](Cc1ccccc1F)N(C)C1(C)COC1 ZINC001255854302 970524003 /nfs/dbraw/zinc/52/40/03/970524003.db2.gz PLTBNQZETDTSJQ-LLVKDONJSA-N 0 1 237.318 2.477 20 0 BEADMN COCOc1c(C)cccc1Nc1nnco1 ZINC001214842132 970536726 /nfs/dbraw/zinc/53/67/26/970536726.db2.gz AJZYDUILUOKMHI-UHFFFAOYSA-N 0 1 235.243 2.104 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC3(CC3)C2)cc1 ZINC000400090029 970549928 /nfs/dbraw/zinc/54/99/28/970549928.db2.gz SYMRPCHKXKUELC-UHFFFAOYSA-N 0 1 231.295 2.371 20 0 BEADMN Cc1ncn(-c2cnc(OC(C)C)c(C)c2)c1N ZINC001214940360 970572330 /nfs/dbraw/zinc/57/23/30/970572330.db2.gz HYRFQARZBRLJLB-UHFFFAOYSA-N 0 1 246.314 2.254 20 0 BEADMN CC[C@@H]1C[C@@H](N(C)Cc2ccon2)CCO1 ZINC001170233981 970609503 /nfs/dbraw/zinc/60/95/03/970609503.db2.gz HQNICSWIIGYUCS-NWDGAFQWSA-N 0 1 224.304 2.064 20 0 BEADMN CN(Cc1cc(Cl)ccn1)[C@@H]1CCCOC1 ZINC000401480496 970698171 /nfs/dbraw/zinc/69/81/71/970698171.db2.gz MWSXGMOQEPWRMX-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN Oc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000401629610 970710440 /nfs/dbraw/zinc/71/04/40/970710440.db2.gz CLUACTDSAQJVSI-ZDUSSCGKSA-N 0 1 243.310 2.283 20 0 BEADMN Cc1occc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000321235944 970755106 /nfs/dbraw/zinc/75/51/06/970755106.db2.gz MDOBJCQEFHONST-GFCCVEGCSA-N 0 1 237.299 2.417 20 0 BEADMN CCCN(C)CN1C(=O)C[C@@H]1Cc1ccccc1 ZINC001327341066 972551321 /nfs/dbraw/zinc/55/13/21/972551321.db2.gz KQNUMEYCWDOKKR-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)OCc1nnc[nH]1 ZINC001327483937 972590056 /nfs/dbraw/zinc/59/00/56/972590056.db2.gz UBYHSMXJAJSCNF-UWVGGRQHSA-N 0 1 237.303 2.064 20 0 BEADMN COc1ccc(O)cc1-c1cc2[nH]cnc2cn1 ZINC001222607878 972605182 /nfs/dbraw/zinc/60/51/82/972605182.db2.gz CSAOPBASQFVQOU-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1cc([C@@H](C)NCc2nnc[nH]2)ccc1F ZINC001327536229 972619967 /nfs/dbraw/zinc/61/99/67/972619967.db2.gz YZVUCMOBFXOLIO-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN c1nnc(CN2CCCC3(CCCCC3)C2)[nH]1 ZINC001327547989 972624808 /nfs/dbraw/zinc/62/48/08/972624808.db2.gz ZXSDWJSVGRFVIO-UHFFFAOYSA-N 0 1 234.347 2.351 20 0 BEADMN Cc1[nH+]c(N[C@H]2CC[C@@H]2C)ccc1C(=O)[O-] ZINC000393838173 972649114 /nfs/dbraw/zinc/64/91/14/972649114.db2.gz OGGDAVJIBDXZIN-XVKPBYJWSA-N 0 1 220.272 2.299 20 0 BEADMN c1cc2ccc(CN3CC4(CSC4)C3)nc2[nH]1 ZINC001144188331 972677699 /nfs/dbraw/zinc/67/76/99/972677699.db2.gz WQJRKNXBWABBOD-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN Oc1ccc(CN2CC[C@]3(CC3(F)F)C2)nc1 ZINC001144259185 972709681 /nfs/dbraw/zinc/70/96/81/972709681.db2.gz LVOJZQQWMKVPRR-NSHDSACASA-N 0 1 240.253 2.018 20 0 BEADMN CC1(C)CC(=O)CC[C@H]1OCc1cnc[nH]1 ZINC001223000239 972793178 /nfs/dbraw/zinc/79/31/78/972793178.db2.gz MDFAJMFNWMZXQG-LLVKDONJSA-N 0 1 222.288 2.074 20 0 BEADMN FC1(F)CC[C@H](OCc2cnc[nH]2)C1 ZINC001223007830 972797136 /nfs/dbraw/zinc/79/71/36/972797136.db2.gz PBSRHRUKLFABNE-QMMMGPOBSA-N 0 1 202.204 2.114 20 0 BEADMN CC(=O)[C@@H](OCc1cnc[nH]1)c1ccccc1 ZINC001223008184 972799166 /nfs/dbraw/zinc/79/91/66/972799166.db2.gz WKVDCCHFMHLOCE-CYBMUJFWSA-N 0 1 230.267 2.257 20 0 BEADMN C[C@@H](COC(C)(C)C)OCc1cnc[nH]1 ZINC001223002346 972801332 /nfs/dbraw/zinc/80/13/32/972801332.db2.gz SFJFZKBROGCPPL-VIFPVBQESA-N 0 1 212.293 2.130 20 0 BEADMN C[C@H](COCc1cnc[nH]1)Oc1ccccc1 ZINC001223008603 972803609 /nfs/dbraw/zinc/80/36/09/972803609.db2.gz ZWWOPJKDQYIVKB-LLVKDONJSA-N 0 1 232.283 2.394 20 0 BEADMN COC(C)(C)C[C@H](C)OCc1cnc[nH]1 ZINC001223008564 972804098 /nfs/dbraw/zinc/80/40/98/972804098.db2.gz ZPRWQXUQLMQBCA-VIFPVBQESA-N 0 1 212.293 2.130 20 0 BEADMN CCC[C@H]1CCCC[C@H]1OCc1nn[nH]n1 ZINC001223026950 972804206 /nfs/dbraw/zinc/80/42/06/972804206.db2.gz KJSOIUKQEGQHTA-VHSXEESVSA-N 0 1 224.308 2.075 20 0 BEADMN C[C@@H](CO)CCNc1ccc2c(n1)CCCC2 ZINC001160603903 972813406 /nfs/dbraw/zinc/81/34/06/972813406.db2.gz TVRDGYCKCYNDTJ-LLVKDONJSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1csc(CNCc2cc(C)n[nH]2)c1 ZINC001327952139 972827393 /nfs/dbraw/zinc/82/73/93/972827393.db2.gz NMNDDHHDLCOBQO-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCCC3(CC3)C2)[nH]1 ZINC001328184196 972892005 /nfs/dbraw/zinc/89/20/05/972892005.db2.gz SQMROQBNGJHOSV-VIFPVBQESA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCCC3(CC3)C2)n1 ZINC001328184196 972892007 /nfs/dbraw/zinc/89/20/07/972892007.db2.gz SQMROQBNGJHOSV-VIFPVBQESA-N 0 1 248.330 2.276 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1sccc1C(=O)[O-] ZINC001144664262 972922641 /nfs/dbraw/zinc/92/26/41/972922641.db2.gz CDBCWJASGSWQNI-QMMMGPOBSA-N 0 1 225.313 2.431 20 0 BEADMN CN1CCC12CN(Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882072 972969702 /nfs/dbraw/zinc/96/97/02/972969702.db2.gz JSVNKWRUDFDRFN-UHFFFAOYSA-N 0 1 247.386 2.202 20 0 BEADMN Cc1ccccc1[C@H](NCc1nnc[nH]1)C1CC1 ZINC001328395172 973019458 /nfs/dbraw/zinc/01/94/58/973019458.db2.gz VWXBQOSOBODPDY-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN CCN1C[C@H](C)N(c2nccs2)C[C@@H]1C ZINC000846756288 973042788 /nfs/dbraw/zinc/04/27/88/973042788.db2.gz WFJBTQUVERACIE-UWVGGRQHSA-N 0 1 225.361 2.062 20 0 BEADMN Cc1ccoc1CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001328470276 973083977 /nfs/dbraw/zinc/08/39/77/973083977.db2.gz KKXGAUZKKUVVGG-UHFFFAOYSA-N 0 1 248.286 2.011 20 0 BEADMN Cc1ccoc1CC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001328470276 973083989 /nfs/dbraw/zinc/08/39/89/973083989.db2.gz KKXGAUZKKUVVGG-UHFFFAOYSA-N 0 1 248.286 2.011 20 0 BEADMN CC1=CC[C@@](C)(C(=O)NCCN2CC=CC2)CC1 ZINC001328469910 973084637 /nfs/dbraw/zinc/08/46/37/973084637.db2.gz JMIFCSNAKVRCMR-OAHLLOKOSA-N 0 1 248.370 2.111 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H]3C[C@H]3C2)[nH]1 ZINC001328499833 973100378 /nfs/dbraw/zinc/10/03/78/973100378.db2.gz LGQUIXIDEYDHSY-UWVGGRQHSA-N 0 1 233.315 2.015 20 0 BEADMN Cc1c(C(=O)N[C@H]2C=CCC2)ccc2cncn21 ZINC001328647000 973222729 /nfs/dbraw/zinc/22/27/29/973222729.db2.gz HTDCZZUSBLZWOM-NSHDSACASA-N 0 1 241.294 2.091 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2cccc(C(=O)[O-])n2)C[C@H]1C ZINC000399588614 973230090 /nfs/dbraw/zinc/23/00/90/973230090.db2.gz KWBLYGPGKODOGZ-GMTAPVOTSA-N 0 1 248.326 2.256 20 0 BEADMN Cc1ccc(OCCN2CC[C@@]23CCOC3)cc1 ZINC001328793572 973348537 /nfs/dbraw/zinc/34/85/37/973348537.db2.gz NKUINBKWLJKRNQ-HNNXBMFYSA-N 0 1 247.338 2.239 20 0 BEADMN C[N@@H+](C[C@@H]1CC=CCC1)C(C)(C)C(=O)[O-] ZINC000402191841 973602243 /nfs/dbraw/zinc/60/22/43/973602243.db2.gz GVMMSBJFFOKSJH-SNVBAGLBSA-N 0 1 211.305 2.138 20 0 BEADMN CN1CCC12CN(c1ccc3[nH]ccc3c1)C2 ZINC001276968668 973626428 /nfs/dbraw/zinc/62/64/28/973626428.db2.gz CXFQTUQOKPHMFO-UHFFFAOYSA-N 0 1 227.311 2.062 20 0 BEADMN Cc1nnc(SC[C@H]2CCC(C)(C)CO2)[nH]1 ZINC001329275470 973630397 /nfs/dbraw/zinc/63/03/97/973630397.db2.gz WVDIDILUGYJEKE-SECBINFHSA-N 0 1 241.360 2.410 20 0 BEADMN C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C(C)(C)C(=O)[O-] ZINC000403265791 973669156 /nfs/dbraw/zinc/66/91/56/973669156.db2.gz ZDZOQCJZMBPMKI-OUAUKWLOSA-N 0 1 225.332 2.218 20 0 BEADMN CC[N@@H+](CC=C(Cl)Cl)C(C)(C)C(=O)[O-] ZINC000403320586 973672690 /nfs/dbraw/zinc/67/26/90/973672690.db2.gz KERXCGWQACRHHP-UHFFFAOYSA-N 0 1 240.130 2.491 20 0 BEADMN CCc1cc(C(=O)NCc2cc(C)[nH]n2)cs1 ZINC001147713600 973733261 /nfs/dbraw/zinc/73/32/61/973733261.db2.gz FUESSCSGTGNVAA-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)CC[C@@H]2C)n[nH]1 ZINC001147860856 973780380 /nfs/dbraw/zinc/78/03/80/973780380.db2.gz KSWINPRQWDKBKO-PWSUYJOCSA-N 0 1 249.358 2.298 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@@H](C)CC[C@H]2C)n[nH]1 ZINC001147860854 973782106 /nfs/dbraw/zinc/78/21/06/973782106.db2.gz KSWINPRQWDKBKO-CMPLNLGQSA-N 0 1 249.358 2.298 20 0 BEADMN CC[C@H]1COC(C)(C)CN1Cc1cc(C)[nH]n1 ZINC001329658604 973872825 /nfs/dbraw/zinc/87/28/25/973872825.db2.gz FSHAZHFBIDZFGM-LBPRGKRZSA-N 0 1 237.347 2.108 20 0 BEADMN CNCc1nc(-c2cc(C)ccc2Cl)no1 ZINC001247431180 973943513 /nfs/dbraw/zinc/94/35/13/973943513.db2.gz CDSXSJHQLBUTLA-UHFFFAOYSA-N 0 1 237.690 2.418 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(OC)cc2C)no1 ZINC001247490217 973964091 /nfs/dbraw/zinc/96/40/91/973964091.db2.gz OJSRTIIVASHJRD-VIFPVBQESA-N 0 1 247.298 2.334 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(OC)cc2C)no1 ZINC001247490216 973967525 /nfs/dbraw/zinc/96/75/25/973967525.db2.gz OJSRTIIVASHJRD-SECBINFHSA-N 0 1 247.298 2.334 20 0 BEADMN CCON(Cc1nnc[nH]1)CC1CCCCC1 ZINC001329892360 974010775 /nfs/dbraw/zinc/01/07/75/974010775.db2.gz OHRGGTGPVSSNHU-UHFFFAOYSA-N 0 1 238.335 2.139 20 0 BEADMN CC[C@H](C)N(CC)Cc1cn(C(C)C)nn1 ZINC001329914311 974022679 /nfs/dbraw/zinc/02/26/79/974022679.db2.gz YSGHLYHZTKDXDM-NSHDSACASA-N 0 1 224.352 2.479 20 0 BEADMN C[C@H]1CN([C@H]2CCc3c(F)cccc3C2)CCO1 ZINC001171421917 974037101 /nfs/dbraw/zinc/03/71/01/974037101.db2.gz MVLNTCTZIQDHEA-AAEUAGOBSA-N 0 1 249.329 2.404 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3C=CCN3)n2)c(F)c1 ZINC001248228336 974061521 /nfs/dbraw/zinc/06/15/21/974061521.db2.gz MBNPGHREYVCXPI-JTQLQIEISA-N 0 1 249.220 2.215 20 0 BEADMN Cc1cccc2c1CC[C@H](n1ccnc1CN)C2 ZINC001171549863 974096420 /nfs/dbraw/zinc/09/64/20/974096420.db2.gz PRCCBHQMTIPLSR-ZDUSSCGKSA-N 0 1 241.338 2.380 20 0 BEADMN Cc1cccc2c1CC[C@H](N(C)C1COC1)C2 ZINC001171571023 974103448 /nfs/dbraw/zinc/10/34/48/974103448.db2.gz QPSBFVPPCULFPB-ZDUSSCGKSA-N 0 1 231.339 2.183 20 0 BEADMN CC[C@@H]1COCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171806478 974192988 /nfs/dbraw/zinc/19/29/88/974192988.db2.gz GCFFOFLKIBQTBC-CHWSQXEVSA-N 0 1 249.329 2.404 20 0 BEADMN CC1(C)COCCN1[C@@H]1Cc2cccc(F)c2C1 ZINC001171805312 974195021 /nfs/dbraw/zinc/19/50/21/974195021.db2.gz MQXUFECYBXCESR-GFCCVEGCSA-N 0 1 249.329 2.404 20 0 BEADMN CN1CCC[C@H](Oc2ccccc2F)C1 ZINC001225201419 974220740 /nfs/dbraw/zinc/22/07/40/974220740.db2.gz NWMXQJMRMXAKOG-JTQLQIEISA-N 0 1 209.264 2.299 20 0 BEADMN CN1CCC[C@@H](Oc2ccccc2F)C1 ZINC001225201422 974221660 /nfs/dbraw/zinc/22/16/60/974221660.db2.gz NWMXQJMRMXAKOG-SNVBAGLBSA-N 0 1 209.264 2.299 20 0 BEADMN COc1cccc(O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001225236341 974289741 /nfs/dbraw/zinc/28/97/41/974289741.db2.gz SYJVWAUNSCLUIS-CYBMUJFWSA-N 0 1 221.300 2.168 20 0 BEADMN COCCOc1ccccc1Nc1cncn1C ZINC001212635724 974302566 /nfs/dbraw/zinc/30/25/66/974302566.db2.gz CHWOZGKXHXLPMM-UHFFFAOYSA-N 0 1 247.298 2.189 20 0 BEADMN CC(C)[C@H]1CC[C@H]1NCc1csnn1 ZINC001330651838 974386035 /nfs/dbraw/zinc/38/60/35/974386035.db2.gz JMLDBELKSBFHPQ-NXEZZACHSA-N 0 1 211.334 2.062 20 0 BEADMN CN1CC[C@@H](Oc2ccc(F)cc2F)C1 ZINC001225312957 974388290 /nfs/dbraw/zinc/38/82/90/974388290.db2.gz BMUWSOQTIGXFKN-SECBINFHSA-N 0 1 213.227 2.048 20 0 BEADMN Cc1ccc(C(=O)CN[C@@H]2COC(C)(C)C2)cc1 ZINC001172275999 974492211 /nfs/dbraw/zinc/49/22/11/974492211.db2.gz BFYIEQRITJFNTO-ZDUSSCGKSA-N 0 1 247.338 2.335 20 0 BEADMN C[C@H]1CCC[C@@H](C(=O)NCc2cc(N)ccn2)C1 ZINC001330985594 974549075 /nfs/dbraw/zinc/54/90/75/974549075.db2.gz SNQHZVQQJJUXCB-WDEREUQCSA-N 0 1 247.342 2.106 20 0 BEADMN C/C(=C/C(=O)NCc1cc(N)ccn1)C(C)(C)C ZINC001331005183 974555570 /nfs/dbraw/zinc/55/55/70/974555570.db2.gz ZJBOAGDOUYCJRB-YFHOEESVSA-N 0 1 247.342 2.272 20 0 BEADMN CC(C)=C(C)CC(=O)NCc1cc(N)ccn1 ZINC001331005096 974556428 /nfs/dbraw/zinc/55/64/28/974556428.db2.gz XOWQWZFGQOHIMR-UHFFFAOYSA-N 0 1 233.315 2.026 20 0 BEADMN CC1(C)C[C@@H](N2CCc3cccnc3C2)CO1 ZINC001172293054 974561232 /nfs/dbraw/zinc/56/12/32/974561232.db2.gz PNLGUACOLFOGCU-GFCCVEGCSA-N 0 1 232.327 2.007 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172375654 974573956 /nfs/dbraw/zinc/57/39/56/974573956.db2.gz WKPOUFNWXHQTLA-FIQHERPVSA-N 0 1 227.348 2.304 20 0 BEADMN CC1(O)CN(CCCCCOc2ccccc2)C1 ZINC001331075886 974588635 /nfs/dbraw/zinc/58/86/35/974588635.db2.gz YJLZUSZYEBZAQI-UHFFFAOYSA-N 0 1 249.354 2.302 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCO[C@@H](C)C1 ZINC001172328061 974590768 /nfs/dbraw/zinc/59/07/68/974590768.db2.gz ARCMYQFWNIQNIZ-AGIUHOORSA-N 0 1 229.364 2.301 20 0 BEADMN CC(C)N(CCc1ccccc1)CN1CCC1=O ZINC001331120141 974611205 /nfs/dbraw/zinc/61/12/05/974611205.db2.gz KSUAYOGIMWMRRI-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CCCCOC1CN([C@@H](C)CCOCC)C1 ZINC001172428611 974705560 /nfs/dbraw/zinc/70/55/60/974705560.db2.gz KBCJEBQKHHQLHD-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN CCOCC[C@@H](C)N1CCC[C@@H]1c1ncccn1 ZINC001172429688 974709780 /nfs/dbraw/zinc/70/97/80/974709780.db2.gz BULGPGSKOUHXRA-CHWSQXEVSA-N 0 1 249.358 2.429 20 0 BEADMN Cc1coc(CN[C@@H](C)CCOC(C)C)n1 ZINC001172431999 974715010 /nfs/dbraw/zinc/71/50/10/974715010.db2.gz UGDYPNRZQJFVFF-JTQLQIEISA-N 0 1 226.320 2.276 20 0 BEADMN CC(C(=O)NCc1cc(N)ccn1)=C1CCCC1 ZINC001331444705 974725675 /nfs/dbraw/zinc/72/56/75/974725675.db2.gz UUFNERSZKHTHMP-UHFFFAOYSA-N 0 1 245.326 2.171 20 0 BEADMN CN1CC[C@@H](Oc2cccc(F)c2F)C1 ZINC001225922047 974730316 /nfs/dbraw/zinc/73/03/16/974730316.db2.gz CIKLLHMLRJQNBB-MRVPVSSYSA-N 0 1 213.227 2.048 20 0 BEADMN Fc1cccc(O[C@H]2CN3CCC2CC3)c1F ZINC001225925685 974733153 /nfs/dbraw/zinc/73/31/53/974733153.db2.gz YQSRGWLZLMMQAJ-LBPRGKRZSA-N 0 1 239.265 2.438 20 0 BEADMN CC[C@@H](CC(C)C)Nc1nccnc1CN ZINC001172390929 974738745 /nfs/dbraw/zinc/73/87/45/974738745.db2.gz AUDWCQUBJYKMLP-JTQLQIEISA-N 0 1 222.336 2.172 20 0 BEADMN CC[C@@H](C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225981201 974749404 /nfs/dbraw/zinc/74/94/04/974749404.db2.gz ZVSNBUYDVNDYNS-RXMQYKEDSA-N 0 1 236.193 2.378 20 0 BEADMN c1cncc(CN2CC(CC3CCOCC3)C2)c1 ZINC001331565301 974764362 /nfs/dbraw/zinc/76/43/62/974764362.db2.gz HVGDOPPVZDLADN-UHFFFAOYSA-N 0 1 246.354 2.330 20 0 BEADMN CC(=O)c1ccc(O[C@@H]2CCN(C)C2)c(C)c1 ZINC001226037785 974765516 /nfs/dbraw/zinc/76/55/16/974765516.db2.gz RWSKASFSAYLCOS-CYBMUJFWSA-N 0 1 233.311 2.281 20 0 BEADMN CN1CC[C@@H](Oc2cccc3c2CCCC3=O)C1 ZINC001226042531 974766578 /nfs/dbraw/zinc/76/65/78/974766578.db2.gz DRYDEPDQHFBNAY-LLVKDONJSA-N 0 1 245.322 2.289 20 0 BEADMN CCOC1CN([C@H](C)CCOCC(C)C)C1 ZINC001172474089 974768281 /nfs/dbraw/zinc/76/82/81/974768281.db2.gz ODXFTMRCMPFJAX-GFCCVEGCSA-N 0 1 229.364 2.158 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC001331598814 974773877 /nfs/dbraw/zinc/77/38/77/974773877.db2.gz UPTGOQUDRHPBPG-QJPTWQEYSA-N 0 1 240.391 2.410 20 0 BEADMN Cc1ccc([C@H](C)Oc2nc(C)cc(=O)[nH]2)cn1 ZINC001226157644 974813698 /nfs/dbraw/zinc/81/36/98/974813698.db2.gz CLKYQIVQCIOREX-JTQLQIEISA-N 0 1 245.282 2.334 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC001226160062 974813789 /nfs/dbraw/zinc/81/37/89/974813789.db2.gz ZXRWKKISBAXPNU-KXUCPTDWSA-N 0 1 220.272 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(OC2Cc3ccccc3C2)n1 ZINC001226157329 974814755 /nfs/dbraw/zinc/81/47/55/974814755.db2.gz XEDZTEPPSZOUAS-UHFFFAOYSA-N 0 1 242.278 2.037 20 0 BEADMN CCN(C#N)CCN[C@@H](C)c1cc(C)oc1C ZINC001331770381 974817052 /nfs/dbraw/zinc/81/70/52/974817052.db2.gz LFVXHMVKIYDRIO-NSHDSACASA-N 0 1 235.331 2.350 20 0 BEADMN CCN1CCC[C@H](Oc2cccnc2F)C1 ZINC001226186991 974819800 /nfs/dbraw/zinc/81/98/00/974819800.db2.gz KFOGRBQEPXDSEB-JTQLQIEISA-N 0 1 224.279 2.084 20 0 BEADMN CCCOC[C@@H](C)Oc1n[nH]c2ncccc12 ZINC001226303297 974851909 /nfs/dbraw/zinc/85/19/09/974851909.db2.gz SLYAPLXTXPZOCC-SECBINFHSA-N 0 1 235.287 2.152 20 0 BEADMN O=c1ccnc(O[C@@H]2CC3CCC2CC3)[nH]1 ZINC001226324518 974855652 /nfs/dbraw/zinc/85/56/52/974855652.db2.gz PMLGBQUWGUSSRM-UDNWOFFPSA-N 0 1 220.272 2.140 20 0 BEADMN C[C@H]1CCC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226325270 974855660 /nfs/dbraw/zinc/85/56/60/974855660.db2.gz YTPWKXAGPANRHU-DTWKUNHWSA-N 0 1 208.261 2.140 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccccc1 ZINC001226324835 974855668 /nfs/dbraw/zinc/85/56/68/974855668.db2.gz VNRMCJNAQVIAQJ-VIFPVBQESA-N 0 1 216.240 2.322 20 0 BEADMN O=c1ccnc(O[C@H]2CCOc3ccccc32)[nH]1 ZINC001226323498 974856150 /nfs/dbraw/zinc/85/61/50/974856150.db2.gz FKFHNYZDQZUXME-NSHDSACASA-N 0 1 244.250 2.085 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccc(F)cc1 ZINC001226324268 974856689 /nfs/dbraw/zinc/85/66/89/974856689.db2.gz JMOYIRSORYYZIC-QMMMGPOBSA-N 0 1 234.230 2.461 20 0 BEADMN NCc1nccn1Cc1ccccc1C1CC1 ZINC001331916034 974864894 /nfs/dbraw/zinc/86/48/94/974864894.db2.gz DLZNIFUEYHBXFH-UHFFFAOYSA-N 0 1 227.311 2.268 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2cc(C)ccn2)no1 ZINC001212668777 974866971 /nfs/dbraw/zinc/86/69/71/974866971.db2.gz PJLQCBCXSTWDQY-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN C/C=C\C(=O)Nc1cnccc1-n1ccnc1C ZINC001331922732 974867271 /nfs/dbraw/zinc/86/72/71/974867271.db2.gz MPEKYCRRXXNLKP-ARJAWSKDSA-N 0 1 242.282 2.090 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2ccoc21 ZINC001331923842 974869810 /nfs/dbraw/zinc/86/98/10/974869810.db2.gz PABREZZSJYAOPI-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2cccnc2C)no1 ZINC001212669670 974872250 /nfs/dbraw/zinc/87/22/50/974872250.db2.gz KOYGPWMGOKHZHD-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN Cc1nc[nH]c1-c1nc(-c2cnccc2C)no1 ZINC001212669579 974872288 /nfs/dbraw/zinc/87/22/88/974872288.db2.gz GMNGHRVGZBXPAF-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CC[C@H](C(=O)Nc1cnoc1C(C)C)N(C)C ZINC001336078534 1169982122 /nfs/dbraw/zinc/98/21/22/1169982122.db2.gz DOJLQMSLLRJOHK-SNVBAGLBSA-N 0 1 239.319 2.077 20 0 BEADMN CC(=O)[C@@H](C)Oc1cc(N)nc2ccccc21 ZINC001226419420 974891549 /nfs/dbraw/zinc/89/15/49/974891549.db2.gz VMEDHDWSWAQSJQ-SECBINFHSA-N 0 1 230.267 2.173 20 0 BEADMN CC(C)OC(=O)CC[C@@H](C)N1CC[C@H](F)C1 ZINC001172755397 974930477 /nfs/dbraw/zinc/93/04/77/974930477.db2.gz PRFAHHHGEICLKJ-MNOVXSKESA-N 0 1 231.311 2.151 20 0 BEADMN CC(=O)[C@@H](C)Oc1nc2ccc(C)cc2[nH]1 ZINC001226507002 974930722 /nfs/dbraw/zinc/93/07/22/974930722.db2.gz WXVYVNKPZUSRIA-SECBINFHSA-N 0 1 218.256 2.228 20 0 BEADMN Cc1ccc2nc(OC[C@@H]3CCCO3)[nH]c2c1 ZINC001226506948 974932104 /nfs/dbraw/zinc/93/21/04/974932104.db2.gz VHMHCWGZPZUQTO-JTQLQIEISA-N 0 1 232.283 2.429 20 0 BEADMN Cc1ccc2c(c1)C[C@@H](n1ccnc1CN)CC2 ZINC001172824009 974946203 /nfs/dbraw/zinc/94/62/03/974946203.db2.gz OTVMJFTZIHGIJD-AWEZNQCLSA-N 0 1 241.338 2.380 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC1(C2CC2)CCC1 ZINC001332133890 974967189 /nfs/dbraw/zinc/96/71/89/974967189.db2.gz CZPSDPWHUZIMBW-UHFFFAOYSA-N 0 1 248.326 2.109 20 0 BEADMN CO[C@H]1CCC[C@H](NC2(c3ncccn3)CC2)C1 ZINC001172926511 974971147 /nfs/dbraw/zinc/97/11/47/974971147.db2.gz QJJZYRITPQILEW-RYUDHWBXSA-N 0 1 247.342 2.013 20 0 BEADMN CC(C)(C)N1CC(Oc2cccc3n[nH]cc32)C1 ZINC001226613207 974980240 /nfs/dbraw/zinc/98/02/40/974980240.db2.gz QWQPSCMKJCHKTC-UHFFFAOYSA-N 0 1 245.326 2.424 20 0 BEADMN C[C@@H]1CCN(CN2CCC2=O)[C@H]1c1ccccc1 ZINC001332168018 974990137 /nfs/dbraw/zinc/99/01/37/974990137.db2.gz FWILFZOCJFSTTM-IUODEOHRSA-N 0 1 244.338 2.259 20 0 BEADMN COC1CN(C2CCC3(CCOCC3)CC2)C1 ZINC001173043473 975014395 /nfs/dbraw/zinc/01/43/95/975014395.db2.gz LGZHSJOKWZOSDQ-UHFFFAOYSA-N 0 1 239.359 2.056 20 0 BEADMN Fc1ccc2nc(OC[C@@H]3CCCO3)[nH]c2c1 ZINC001226701323 975034842 /nfs/dbraw/zinc/03/48/42/975034842.db2.gz OIVULZASHXSWCD-VIFPVBQESA-N 0 1 236.246 2.260 20 0 BEADMN COC[C@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226701835 975035626 /nfs/dbraw/zinc/03/56/26/975035626.db2.gz WQUHJFCPZIOMQT-ZETCQYMHSA-N 0 1 224.235 2.116 20 0 BEADMN FC(F)C1CN([C@H]2CCc3ncsc3C2)C1 ZINC001173143546 975045550 /nfs/dbraw/zinc/04/55/50/975045550.db2.gz HLLIEDOUECOZSU-QMMMGPOBSA-N 0 1 244.310 2.197 20 0 BEADMN CC[C@@H](C)n1nc(NCc2cnc[nH]2)cc1C ZINC001332297201 975045578 /nfs/dbraw/zinc/04/55/78/975045578.db2.gz OVLXSJOIIZRFIS-SECBINFHSA-N 0 1 233.319 2.498 20 0 BEADMN COc1cccc2c1C[C@@H](N1CC[C@@H]1C)CO2 ZINC001173151837 975049710 /nfs/dbraw/zinc/04/97/10/975049710.db2.gz KTVYBRHYCXGRAK-WDEREUQCSA-N 0 1 233.311 2.093 20 0 BEADMN CC[C@@H]1CC[C@H](N[C@H]2CCSC2=O)C1 ZINC001173266551 975134144 /nfs/dbraw/zinc/13/41/44/975134144.db2.gz MDMACEBPFXQXBH-UTLUCORTSA-N 0 1 213.346 2.187 20 0 BEADMN C[C@@H](Oc1ccc2nc[nH]c2c1)c1ncccn1 ZINC001226925207 975153243 /nfs/dbraw/zinc/15/32/43/975153243.db2.gz SEFVYSYWLKXKLI-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CC1=C(Oc2ccc3nc[nH]c3c2)C(=O)O[C@@H]1C ZINC001226928774 975154413 /nfs/dbraw/zinc/15/44/13/975154413.db2.gz RGBJFQBQLJEXTC-MRVPVSSYSA-N 0 1 244.250 2.161 20 0 BEADMN c1nc2ccc(O[C@H]3C[NH+]4CCC3CC4)cc2[nH]1 ZINC001226928444 975155413 /nfs/dbraw/zinc/15/54/13/975155413.db2.gz KLVAZYHCZNSWAJ-AWEZNQCLSA-N 0 1 243.310 2.036 20 0 BEADMN CC[C@@H](CC(=O)OC)Oc1ccc2nc[nH]c2c1 ZINC001226928653 975155935 /nfs/dbraw/zinc/15/59/35/975155935.db2.gz OQQIABKVOYLWKL-VIFPVBQESA-N 0 1 248.282 2.283 20 0 BEADMN CC[C@@H](COC)Oc1ccc2nc[nH]c2c1 ZINC001226928084 975156439 /nfs/dbraw/zinc/15/64/39/975156439.db2.gz FMJBEBCILIJLSE-VIFPVBQESA-N 0 1 220.272 2.367 20 0 BEADMN CO[C@H](C)CCOc1ccc2nc[nH]c2c1 ZINC001226929151 975159738 /nfs/dbraw/zinc/15/97/38/975159738.db2.gz ZPPUHELELAINAO-SECBINFHSA-N 0 1 220.272 2.367 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCc3cnn(C)c3C2)C1 ZINC001173296513 975185022 /nfs/dbraw/zinc/18/50/22/975185022.db2.gz UTJFMRIMEAXFBF-YPMHNXCESA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@H](C)NCc1cn(CCF)cn1 ZINC001173296704 975185402 /nfs/dbraw/zinc/18/54/02/975185402.db2.gz VPEMGAFQFIVRNE-JTQLQIEISA-N 0 1 245.367 2.084 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977057 975198075 /nfs/dbraw/zinc/19/80/75/975198075.db2.gz UYIMEQYSQAISQT-BDAKNGLRSA-N 0 1 247.298 2.132 20 0 BEADMN CC[C@@H](COC)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976737 975200146 /nfs/dbraw/zinc/20/01/46/975200146.db2.gz GOKNNKXYAXMCRH-VIFPVBQESA-N 0 1 248.282 2.139 20 0 BEADMN CCSC[C@@H](C)NCc1ccn(CC)n1 ZINC001173286848 975246163 /nfs/dbraw/zinc/24/61/63/975246163.db2.gz COUYZBOAVCGBSC-SNVBAGLBSA-N 0 1 227.377 2.134 20 0 BEADMN C[C@@H](COc1ccccc1F)[NH2+]Cc1c[nH]cn1 ZINC001332692493 975256104 /nfs/dbraw/zinc/25/61/04/975256104.db2.gz VGDPCBYNCYDWDZ-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN NCc1nnnn1[C@H]1CCCC2(CCCCC2)C1 ZINC001173350707 975297462 /nfs/dbraw/zinc/29/74/62/975297462.db2.gz XNVOAIICCSAHTH-NSHDSACASA-N 0 1 249.362 2.197 20 0 BEADMN CC(=O)Nc1cc(C)ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001227179070 975302510 /nfs/dbraw/zinc/30/25/10/975302510.db2.gz NLIXAOJDGPASHM-GFCCVEGCSA-N 0 1 248.326 2.036 20 0 BEADMN CC(=O)[C@@H](C)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227351921 975371002 /nfs/dbraw/zinc/37/10/02/975371002.db2.gz VIEOGNWEIVAGKJ-SECBINFHSA-N 0 1 246.266 2.000 20 0 BEADMN CC(=O)[C@H](C)Oc1[nH]c(=O)nc2ccc(C)cc21 ZINC001227351922 975371869 /nfs/dbraw/zinc/37/18/69/975371869.db2.gz VIEOGNWEIVAGKJ-VIFPVBQESA-N 0 1 246.266 2.000 20 0 BEADMN COC(=O)CCCC[C@H](C)NCC(C)(F)F ZINC001173438512 975378389 /nfs/dbraw/zinc/37/83/89/975378389.db2.gz PNGDQMFDTYZTOV-VIFPVBQESA-N 0 1 237.290 2.353 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@@]1(C)O ZINC001203346391 975385510 /nfs/dbraw/zinc/38/55/10/975385510.db2.gz LNWXZVOSPPEYFU-BXUZGUMPSA-N 0 1 237.318 2.419 20 0 BEADMN COC/C(C)=C\CN(C)CCC(F)(F)F ZINC001333075999 975400643 /nfs/dbraw/zinc/40/06/43/975400643.db2.gz DXQIKMIRXOFSNX-WTKPLQERSA-N 0 1 225.254 2.463 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001333117494 975442513 /nfs/dbraw/zinc/44/25/13/975442513.db2.gz AEZDDLLVLIDMBK-AGIUHOORSA-N 0 1 247.342 2.039 20 0 BEADMN CC[C@@H](C)[C@H](C[N@@H+](C)C(C)(C)CC(=O)[O-])OC ZINC001333135901 975479882 /nfs/dbraw/zinc/47/98/82/975479882.db2.gz GAOLIXQRWXALFI-MNOVXSKESA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227536033 975522469 /nfs/dbraw/zinc/52/24/69/975522469.db2.gz WPZOHKLNWSODPS-JGVFFNPUSA-N 0 1 220.276 2.166 20 0 BEADMN CC1CC(NC2(c3ncccn3)CCC2)C1 ZINC001333161353 975523396 /nfs/dbraw/zinc/52/33/96/975523396.db2.gz MVUXQRRPALKAIH-UHFFFAOYSA-N 0 1 217.316 2.244 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CC[C@H](C)CC1 ZINC001227597764 975569632 /nfs/dbraw/zinc/56/96/32/975569632.db2.gz CTMDBHZNKLVKIF-XWEPSHTISA-N 0 1 239.344 2.426 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CC[C@@H](C)CC1 ZINC001227600456 975575201 /nfs/dbraw/zinc/57/52/01/975575201.db2.gz CTMDBHZNKLVKIF-OTSSQURYSA-N 0 1 239.344 2.426 20 0 BEADMN CC(C)(C)CCCCC(=O)OCc1nnc[nH]1 ZINC001333230589 975581050 /nfs/dbraw/zinc/58/10/50/975581050.db2.gz XVJFGMXQMCYVKK-UHFFFAOYSA-N 0 1 239.319 2.454 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)nc1 ZINC001333325931 975663081 /nfs/dbraw/zinc/66/30/81/975663081.db2.gz CPNAEYJUVIRFHI-ZJUUUORDSA-N 0 1 248.305 2.366 20 0 BEADMN COc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001173804556 975686417 /nfs/dbraw/zinc/68/64/17/975686417.db2.gz OMOAFYBWEBDYHS-UHFFFAOYSA-N 0 1 230.267 2.326 20 0 BEADMN Cc1cccnc1NC(=O)[C@@H]1CCCN1C(C)C ZINC001333346944 975686365 /nfs/dbraw/zinc/68/63/65/975686365.db2.gz XJRVECSISLFLDS-LBPRGKRZSA-N 0 1 247.342 2.201 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227807587 975700047 /nfs/dbraw/zinc/70/00/47/975700047.db2.gz ABQUOVKZCNQKFA-HTQZYQBOSA-N 0 1 235.287 2.477 20 0 BEADMN CC[C@@H](Oc1[nH]c(=O)nc2cc[nH]c21)C(C)C ZINC001227808681 975710835 /nfs/dbraw/zinc/71/08/35/975710835.db2.gz KWZLLSOIACCUCD-SECBINFHSA-N 0 1 235.287 2.477 20 0 BEADMN CN1CCC[C@@H](Oc2nc(Cl)ccc2F)C1 ZINC001227878679 975757498 /nfs/dbraw/zinc/75/74/98/975757498.db2.gz DBNRPLHSYYQFEO-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN CCOc1ccccc1-n1cnc(C)c1N ZINC001173849716 975760431 /nfs/dbraw/zinc/76/04/31/975760431.db2.gz IZAHKUZNOMVPLO-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN COc1ccc2nc(N)n(-c3cccnc3)c2c1 ZINC001173853976 975762998 /nfs/dbraw/zinc/76/29/98/975762998.db2.gz SNXHHRJEVWGKIS-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN CN(CC1CC1)C(=O)c1cccc(F)c1O ZINC001333459305 975795288 /nfs/dbraw/zinc/79/52/88/975795288.db2.gz TZBOCGQEXCPXAH-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN CC(=O)c1ncccc1O[C@@H]1CCN(C(C)C)C1 ZINC001227978971 975820914 /nfs/dbraw/zinc/82/09/14/975820914.db2.gz VPOKRDAQDYRKJH-GFCCVEGCSA-N 0 1 248.326 2.146 20 0 BEADMN COc1nonc1Nc1cc(F)cc(F)c1 ZINC001173913145 975894232 /nfs/dbraw/zinc/89/42/32/975894232.db2.gz ZJOXFADGWZPARC-UHFFFAOYSA-N 0 1 227.170 2.100 20 0 BEADMN Cc1nnc(Nc2ccc(F)cc2F)o1 ZINC001173925360 975903804 /nfs/dbraw/zinc/90/38/04/975903804.db2.gz NHPMMFZNPHZSQE-UHFFFAOYSA-N 0 1 211.171 2.400 20 0 BEADMN Fc1cnc(F)c(F)c1Nc1ccncc1 ZINC001173879447 975914398 /nfs/dbraw/zinc/91/43/98/975914398.db2.gz OOQMYRDFLQEZKF-UHFFFAOYSA-N 0 1 225.173 2.059 20 0 BEADMN COc1cccc2nn(-c3ccncc3)c(N)c21 ZINC001173879463 975915971 /nfs/dbraw/zinc/91/59/71/975915971.db2.gz PGMZWQTXSGBKJD-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN Fc1cc(Cl)cnc1Nc1ccncc1 ZINC001173879456 975916238 /nfs/dbraw/zinc/91/62/38/975916238.db2.gz OWQQJUAHWCWBDG-UHFFFAOYSA-N 0 1 223.638 2.435 20 0 BEADMN Fc1cc(Nc2ccncc2)c(F)c(F)n1 ZINC001173881331 975921233 /nfs/dbraw/zinc/92/12/33/975921233.db2.gz NFMXXZATENLBBV-UHFFFAOYSA-N 0 1 225.173 2.059 20 0 BEADMN Cc1cc(Nc2ccncc2)n(C2CCC2)n1 ZINC001173881757 975921434 /nfs/dbraw/zinc/92/14/34/975921434.db2.gz APEHTGMRVXSSTB-UHFFFAOYSA-N 0 1 228.299 2.477 20 0 BEADMN c1cc(Nc2ccncc2)n(-c2ccccc2)n1 ZINC001173881633 975922707 /nfs/dbraw/zinc/92/27/07/975922707.db2.gz CFOFASJTSMQTHY-UHFFFAOYSA-N 0 1 236.278 2.433 20 0 BEADMN COC(=O)c1c(C)scc1Nc1ccncc1 ZINC001173881295 975924497 /nfs/dbraw/zinc/92/44/97/975924497.db2.gz LHADJCYSRFEQPW-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN CNc1ccnc(Cl)c1Nc1ccncc1 ZINC001173881693 975925296 /nfs/dbraw/zinc/92/52/96/975925296.db2.gz FYCZTPPGSPPCMO-UHFFFAOYSA-N 0 1 234.690 2.337 20 0 BEADMN FC(F)(F)c1cnc(Nc2ccncc2)cn1 ZINC001173881656 975926096 /nfs/dbraw/zinc/92/60/96/975926096.db2.gz DMYOHFPBEKFJBM-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN CC(C)Oc1ccc(Nc2ccncc2)cn1 ZINC001173881764 975926574 /nfs/dbraw/zinc/92/65/74/975926574.db2.gz ASIFMGYTZZRYLG-UHFFFAOYSA-N 0 1 229.283 2.429 20 0 BEADMN FC(F)(F)c1ncc(Nc2ccncc2)cn1 ZINC001173881932 975928413 /nfs/dbraw/zinc/92/84/13/975928413.db2.gz NKVSQUXQUABIGQ-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN Oc1ccc(Nc2ccncc2)c(F)c1F ZINC001173882476 975929123 /nfs/dbraw/zinc/92/91/23/975929123.db2.gz MKSSAFMTOWTTHI-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN Cn1nc(C2CCC2)cc1Nc1ccncc1 ZINC001173882262 975932765 /nfs/dbraw/zinc/93/27/65/975932765.db2.gz LYAUDUMJSSNCGA-UHFFFAOYSA-N 0 1 228.299 2.248 20 0 BEADMN O=c1[nH]ccc(Nc2ccncc2)c1Cl ZINC001173882016 975934222 /nfs/dbraw/zinc/93/42/22/975934222.db2.gz GXCNISIUNKWNSM-UHFFFAOYSA-N 0 1 221.647 2.001 20 0 BEADMN COc1cc(Nc2ccncc2)cc(OC)c1 ZINC001173882735 975945615 /nfs/dbraw/zinc/94/56/15/975945615.db2.gz QJMZFFCKZLIZNE-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN COC(=O)c1ccc(C)cc1Nc1ccncc1 ZINC001173883240 975946708 /nfs/dbraw/zinc/94/67/08/975946708.db2.gz CNUBALNUCGQAPY-UHFFFAOYSA-N 0 1 242.278 2.342 20 0 BEADMN FC(F)(F)Cn1nccc1Nc1ccncc1 ZINC001173882915 975948755 /nfs/dbraw/zinc/94/87/55/975948755.db2.gz WJKHJMMNIYAKAU-UHFFFAOYSA-N 0 1 242.204 2.006 20 0 BEADMN COc1cc(F)ccc1Nc1ccncc1 ZINC001173883488 975951830 /nfs/dbraw/zinc/95/18/30/975951830.db2.gz LBLPSIKLKNNOPD-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN O=c1[nH]ccc2cc(Nc3ccncc3)ccc21 ZINC001173883798 975952780 /nfs/dbraw/zinc/95/27/80/975952780.db2.gz TVQWYEWNFKASBH-UHFFFAOYSA-N 0 1 237.262 2.089 20 0 BEADMN C[C@H](O)c1ccc(Nc2ccncc2)cc1 ZINC001173883851 975955607 /nfs/dbraw/zinc/95/56/07/975955607.db2.gz XGJXPWRZDSLPQG-JTQLQIEISA-N 0 1 214.268 2.300 20 0 BEADMN Cn1cc2cccc(Nc3ccncc3)c2n1 ZINC001173883664 975957071 /nfs/dbraw/zinc/95/70/71/975957071.db2.gz PFNVDCYYEVATGN-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN c1cc2c(c(Nc3ccncc3)c1)OCC2 ZINC001173883651 975959733 /nfs/dbraw/zinc/95/97/33/975959733.db2.gz WHNIEGDWAJPHTH-UHFFFAOYSA-N 0 1 212.252 2.182 20 0 BEADMN Cc1cccc(CO)c1Nc1ccncc1 ZINC001173884067 975965382 /nfs/dbraw/zinc/96/53/82/975965382.db2.gz FUHIHUGVVONDQI-UHFFFAOYSA-N 0 1 214.268 2.048 20 0 BEADMN CC(=O)Oc1ccc(Nc2ccncc2)cc1 ZINC001173884907 975965477 /nfs/dbraw/zinc/96/54/77/975965477.db2.gz XLGVDJYONVBWSJ-UHFFFAOYSA-N 0 1 228.251 2.172 20 0 BEADMN Cc1c(F)ccc(N)c1Nc1ccncc1 ZINC001173884834 975972244 /nfs/dbraw/zinc/97/22/44/975972244.db2.gz UESMAAKWKJAHFP-UHFFFAOYSA-N 0 1 217.247 2.277 20 0 BEADMN COc1ccc(F)c(Nc2ccncc2)c1 ZINC001173884912 975973317 /nfs/dbraw/zinc/97/33/17/975973317.db2.gz XORUAWIKXKGSOV-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN c1cn2cc(CN3CC=CCC3)sc2n1 ZINC001333705050 976011476 /nfs/dbraw/zinc/01/14/76/976011476.db2.gz ADPPPIWZQBIDHI-UHFFFAOYSA-N 0 1 219.313 2.158 20 0 BEADMN Cc1coc(C[N@H+](C)CC2=CCCOC2)c1 ZINC001333717326 976025493 /nfs/dbraw/zinc/02/54/93/976025493.db2.gz CBHKHBGOPFCTLU-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1cc(N)ccn1 ZINC001333748757 976055416 /nfs/dbraw/zinc/05/54/16/976055416.db2.gz FPQHHPREFYLISB-YFHOEESVSA-N 0 1 233.315 2.026 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccc[nH]2)o1 ZINC001333750399 976059731 /nfs/dbraw/zinc/05/97/31/976059731.db2.gz GVWZGGWODHUBMK-SECBINFHSA-N 0 1 220.272 2.467 20 0 BEADMN CCCCc1cc(=O)n([C@@H]2CCCC[C@H]2O)[nH]1 ZINC001333840878 976116170 /nfs/dbraw/zinc/11/61/70/976116170.db2.gz LCJXKGZPLFSRMK-VXGBXAGGSA-N 0 1 238.331 2.068 20 0 BEADMN CSCC1CCN(Cc2cc(C)n[nH]2)CC1 ZINC001333868688 976133976 /nfs/dbraw/zinc/13/39/76/976133976.db2.gz ZVXQVUXXHLFIDQ-UHFFFAOYSA-N 0 1 239.388 2.293 20 0 BEADMN CSCC1CCN(Cc2cc(C)[nH]n2)CC1 ZINC001333868688 976133985 /nfs/dbraw/zinc/13/39/85/976133985.db2.gz ZVXQVUXXHLFIDQ-UHFFFAOYSA-N 0 1 239.388 2.293 20 0 BEADMN CN(C)c1nc(N=C2CCCC2)c(N=O)c(=O)[nH]1 ZINC001173996989 976137046 /nfs/dbraw/zinc/13/70/46/976137046.db2.gz GGJUPBMYESHVFJ-UHFFFAOYSA-N 0 1 249.274 2.126 20 0 BEADMN Cc1ncn(-c2cnc3ccccc3c2)c1N ZINC001174002538 976168584 /nfs/dbraw/zinc/16/85/84/976168584.db2.gz UBIOXHZQBYQNRK-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCCCC[C@@H](C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388110 976176218 /nfs/dbraw/zinc/17/62/18/976176218.db2.gz GCYYVNSVLJMBIS-MRVPVSSYSA-N 0 1 226.276 2.235 20 0 BEADMN COc1cccc(Nc2nccn2C)c1OC ZINC001174013919 976184032 /nfs/dbraw/zinc/18/40/32/976184032.db2.gz OFUUHIOKKYZEOK-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN Cn1cncc1Nc1ccnc2ccccc21 ZINC001174039118 976246716 /nfs/dbraw/zinc/24/67/16/976246716.db2.gz NBKONFPZCBTYMW-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN O=c1nc(OC2CCCC2)c(Cl)c[nH]1 ZINC001228480075 976247346 /nfs/dbraw/zinc/24/73/46/976247346.db2.gz HRHXHTLIFLTQCM-UHFFFAOYSA-N 0 1 214.652 2.157 20 0 BEADMN Clc1nc2nc[nH]c2c(OC2CC=CC2)n1 ZINC001228508563 976264775 /nfs/dbraw/zinc/26/47/75/976264775.db2.gz DNWAOPSDPRCADD-UHFFFAOYSA-N 0 1 236.662 2.104 20 0 BEADMN COCc1ccccc1Nc1cncn1C ZINC001174103538 976303847 /nfs/dbraw/zinc/30/38/47/976303847.db2.gz KDHNRJSWMRTWQK-UHFFFAOYSA-N 0 1 217.272 2.310 20 0 BEADMN Cc1ncn(-c2cccc3cnccc32)c1N ZINC001174136661 976373110 /nfs/dbraw/zinc/37/31/10/976373110.db2.gz QVNDQVAZBKJBIG-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCCn1cc(-n2c(N)nc3ccccc32)cn1 ZINC001174217788 976408425 /nfs/dbraw/zinc/40/84/25/976408425.db2.gz VFJZFGDJYJRUBA-UHFFFAOYSA-N 0 1 241.298 2.214 20 0 BEADMN Cc1nn(C)c(C)c1Nc1ccc2nccn2c1 ZINC001174226423 976424464 /nfs/dbraw/zinc/42/44/64/976424464.db2.gz ZFSRXLYLEHVVGK-UHFFFAOYSA-N 0 1 241.298 2.428 20 0 BEADMN C1=C[C@H](Oc2ccc3[nH]nnc3c2)CCC1 ZINC001228666869 976426674 /nfs/dbraw/zinc/42/66/74/976426674.db2.gz JVOPADXBHIEQTC-VIFPVBQESA-N 0 1 215.256 2.445 20 0 BEADMN Nc1nc2ccccc2n1-c1cncc(F)c1 ZINC001174288409 976450157 /nfs/dbraw/zinc/45/01/57/976450157.db2.gz GGSZPNNRUHRTAO-UHFFFAOYSA-N 0 1 228.230 2.142 20 0 BEADMN Cc1cc(CN[C@H](c2ccncc2)C2CC2)[nH]n1 ZINC001334345261 976459225 /nfs/dbraw/zinc/45/92/25/976459225.db2.gz KZAPKILSBZIAAB-AWEZNQCLSA-N 0 1 242.326 2.354 20 0 BEADMN CC1CC(NCc2cc(C(F)(F)F)n(C)n2)C1 ZINC001334347053 976463116 /nfs/dbraw/zinc/46/31/16/976463116.db2.gz ULOOHBLLGHGSBE-UHFFFAOYSA-N 0 1 247.264 2.327 20 0 BEADMN C[N@H+]1CCc2ccc(Nc3cn[nH]c3)cc2C1 ZINC001174298939 976488751 /nfs/dbraw/zinc/48/87/51/976488751.db2.gz BAOZIKFZDCPMNY-UHFFFAOYSA-N 0 1 228.299 2.141 20 0 BEADMN Oc1cncc(Nc2ccc3nccn3c2)c1 ZINC001174277177 976503513 /nfs/dbraw/zinc/50/35/13/976503513.db2.gz MMJVFCHLUFXQEV-UHFFFAOYSA-N 0 1 226.239 2.179 20 0 BEADMN Nc1cn(-c2ccc3nccn3c2)c2cccnc12 ZINC001174278939 976514030 /nfs/dbraw/zinc/51/40/30/976514030.db2.gz UYQTWURMAYPGBA-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN CN1CC[C@H](Oc2cc3cc[nH]c3cc2F)C1 ZINC001228882631 976549734 /nfs/dbraw/zinc/54/97/34/976549734.db2.gz BMVQXZFUMUSXER-JTQLQIEISA-N 0 1 234.274 2.390 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2n[nH]cc21 ZINC001174342422 976564327 /nfs/dbraw/zinc/56/43/27/976564327.db2.gz ASJHSQLUTBVWBF-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2[nH]ncc21 ZINC001174342422 976564352 /nfs/dbraw/zinc/56/43/52/976564352.db2.gz ASJHSQLUTBVWBF-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1nccc(Nc2cccc3[nH]ncc32)n1 ZINC001174343449 976569084 /nfs/dbraw/zinc/56/90/84/976569084.db2.gz USHSKIUCZRDNKK-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CCCC[C@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228919384 976574318 /nfs/dbraw/zinc/57/43/18/976574318.db2.gz WLMRKOWZJHIKKO-QMMMGPOBSA-N 0 1 226.276 2.148 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918358 976578752 /nfs/dbraw/zinc/57/87/52/976578752.db2.gz OWNQUAJWMKNALW-HTQZYQBOSA-N 0 1 226.276 2.004 20 0 BEADMN CCC[C@@H](CC)Oc1nc(OC)cc(=O)[nH]1 ZINC001228917266 976578859 /nfs/dbraw/zinc/57/88/59/976578859.db2.gz BWOZWPGICNBVIH-MRVPVSSYSA-N 0 1 226.276 2.148 20 0 BEADMN Nc1nonc1Nc1ccc2ncsc2c1 ZINC001174363748 976606656 /nfs/dbraw/zinc/60/66/56/976606656.db2.gz UCXMGYIMWCJUBZ-UHFFFAOYSA-N 0 1 233.256 2.005 20 0 BEADMN CC(C)n1cnc2cc(-n3cncc3N)ccc21 ZINC001174381821 976612927 /nfs/dbraw/zinc/61/29/27/976612927.db2.gz PVGUIWFSHIAEQF-UHFFFAOYSA-N 0 1 241.298 2.385 20 0 BEADMN c1cc2c(O[C@@H]3C[C@H]4C[C@H]4C3)nnc-2c[nH]1 ZINC001228990640 976616236 /nfs/dbraw/zinc/61/62/36/976616236.db2.gz RYNUYCSQXHDXFF-AYMMMOKOSA-N 0 1 215.256 2.135 20 0 BEADMN COc1c2ccccc2oc1C[NH2+][C@@H](C)C(=O)[O-] ZINC001334764880 976633539 /nfs/dbraw/zinc/63/35/39/976633539.db2.gz HGKNSCHOGFQZLY-QMMMGPOBSA-N 0 1 249.266 2.004 20 0 BEADMN Cc1nonc1Nc1cnn(CCC(C)C)c1 ZINC001174415777 976703409 /nfs/dbraw/zinc/70/34/09/976703409.db2.gz WDSIPCHKLMRZIV-UHFFFAOYSA-N 0 1 235.291 2.364 20 0 BEADMN COc1cncc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174497887 976720167 /nfs/dbraw/zinc/72/01/67/976720167.db2.gz ONUZMIWUBKPKQS-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN OCc1cccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174498577 976720512 /nfs/dbraw/zinc/72/05/12/976720512.db2.gz PRECLQBBWAYWEQ-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COCn1cc(Nc2ccc3c[nH]nc3c2)cn1 ZINC001174497960 976723131 /nfs/dbraw/zinc/72/31/31/976723131.db2.gz DOPYYZASICPRRJ-UHFFFAOYSA-N 0 1 243.270 2.107 20 0 BEADMN Cc1cncc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499453 976726223 /nfs/dbraw/zinc/72/62/23/976726223.db2.gz QUAJLUHRNYYDQE-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN c1n[nH]c2cc(Nc3ncccn3)ccc12 ZINC001174499504 976729236 /nfs/dbraw/zinc/72/92/36/976729236.db2.gz SDLLCFSCKCLEFH-UHFFFAOYSA-N 0 1 211.228 2.097 20 0 BEADMN CCC[C@H](Oc1[nH]c(=O)[nH]c(=O)c1F)C(C)C ZINC001229123566 976760588 /nfs/dbraw/zinc/76/05/88/976760588.db2.gz DFIBEFLNSNAIRT-ZETCQYMHSA-N 0 1 244.266 2.230 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(CC2CC2)c1 ZINC001174468140 976770291 /nfs/dbraw/zinc/77/02/91/976770291.db2.gz YFYDAAKLBMJURD-UHFFFAOYSA-N 0 1 231.303 2.079 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001334886511 976771253 /nfs/dbraw/zinc/77/12/53/976771253.db2.gz BEQCRFKXKOAVEG-NWDGAFQWSA-N 0 1 246.358 2.384 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H](CF)C2)cnc1F ZINC001335088471 976846635 /nfs/dbraw/zinc/84/66/35/976846635.db2.gz DYKVNMSBKPXJPH-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN Cc1cc(CN2CC[C@@H](CF)C2)cnc1F ZINC001335088471 976846638 /nfs/dbraw/zinc/84/66/38/976846638.db2.gz DYKVNMSBKPXJPH-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN Cc1ncn(C)c1Nc1cncc(C(C)(C)O)c1 ZINC001174591928 976849146 /nfs/dbraw/zinc/84/91/46/976849146.db2.gz MUNOMYCMDOHJHL-UHFFFAOYSA-N 0 1 246.314 2.095 20 0 BEADMN Cc1cc(O)ccc1Nc1cncn1C ZINC001174559955 976874815 /nfs/dbraw/zinc/87/48/15/976874815.db2.gz QSDPUVSZWHYLJX-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN c1nn([C@@H]2CCCCO2)cc1Nc1ccncc1 ZINC001174598495 976917633 /nfs/dbraw/zinc/91/76/33/976917633.db2.gz JBEHFLORAYJTQK-ZDUSSCGKSA-N 0 1 244.298 2.143 20 0 BEADMN c1nn([C@H]2CCCCO2)cc1Nc1ccncc1 ZINC001174598494 976918131 /nfs/dbraw/zinc/91/81/31/976918131.db2.gz JBEHFLORAYJTQK-CYBMUJFWSA-N 0 1 244.298 2.143 20 0 BEADMN CCN1CCC[C@H](Oc2ncc(F)cc2F)C1 ZINC001229860334 977007343 /nfs/dbraw/zinc/00/73/43/977007343.db2.gz XBMMYYRARZDLJL-JTQLQIEISA-N 0 1 242.269 2.223 20 0 BEADMN C=CNc1cc(F)ccc1N1CCN(C)CC1 ZINC001174783964 977007828 /nfs/dbraw/zinc/00/78/28/977007828.db2.gz WYBFLKZPKVVGDQ-UHFFFAOYSA-N 0 1 235.306 2.133 20 0 BEADMN C=CNc1cc(C)nn1-c1ccncc1 ZINC001174784247 977009830 /nfs/dbraw/zinc/00/98/30/977009830.db2.gz RTQYMMCBFNJSDO-UHFFFAOYSA-N 0 1 200.245 2.131 20 0 BEADMN Cc1cncc(Nc2cc(=O)[nH]c(Cl)n2)c1 ZINC001174752930 977050749 /nfs/dbraw/zinc/05/07/49/977050749.db2.gz GMYILFJWGLADLO-UHFFFAOYSA-N 0 1 236.662 2.283 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2CCCC[C@@H]2F)c1Cl ZINC001230018191 977071969 /nfs/dbraw/zinc/07/19/69/977071969.db2.gz PDAPFCVSVVCNBQ-NKWVEPMBSA-N 0 1 246.669 2.495 20 0 BEADMN CC[C@@H](NCc1csnn1)C1CCC1 ZINC000324832163 977109428 /nfs/dbraw/zinc/10/94/28/977109428.db2.gz VHCCUBPPHDFODY-SNVBAGLBSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@H](NC[C@H](O)CC1CCCC1)c1cnccn1 ZINC001335521574 977114794 /nfs/dbraw/zinc/11/47/94/977114794.db2.gz YPHUYKHVDOOGLB-WCQYABFASA-N 0 1 249.358 2.068 20 0 BEADMN O=C(N[C@H]1C=CCCC1)[C@@H]1CCN1C1CCCC1 ZINC001330854402 977120102 /nfs/dbraw/zinc/12/01/02/977120102.db2.gz SGWOQQDECUHBRU-JSGCOSHPSA-N 0 1 248.370 2.228 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC1CCOCC1 ZINC001230222520 977130746 /nfs/dbraw/zinc/13/07/46/977130746.db2.gz GNOHWYHJYLYCSG-UHFFFAOYSA-N 0 1 232.283 2.429 20 0 BEADMN Cc1cc2[nH]ncc2cc1O[C@@H]1CCOC1 ZINC001230223064 977132713 /nfs/dbraw/zinc/13/27/13/977132713.db2.gz KZUVKJUWBWURMM-SNVBAGLBSA-N 0 1 218.256 2.039 20 0 BEADMN COc1cc(F)c(Nc2nccn2C)cc1F ZINC001174924539 977170213 /nfs/dbraw/zinc/17/02/13/977170213.db2.gz VNZQKMISWZTYGG-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN Cc1ncn(-c2ccc(F)c(F)c2F)c1N ZINC001174967767 977192135 /nfs/dbraw/zinc/19/21/35/977192135.db2.gz WHCSBPCNDGZVQE-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN COc1ccc(Nc2cncn2C)c(F)c1F ZINC001175020445 977215952 /nfs/dbraw/zinc/21/59/52/977215952.db2.gz LYKJBSMRQPKJPA-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN OCc1cc(Nc2ccc(O)cc2)ccn1 ZINC001175041966 977233903 /nfs/dbraw/zinc/23/39/03/977233903.db2.gz LCXAOCSIKOHPKT-UHFFFAOYSA-N 0 1 216.240 2.023 20 0 BEADMN CCOc1ccc(C)cc1-n1cncc1N ZINC001175123572 977278047 /nfs/dbraw/zinc/27/80/47/977278047.db2.gz MPDUGRDWONEEET-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN Cn1cncc1Nc1ccc(N2CCCC2)nc1 ZINC001175348788 977365688 /nfs/dbraw/zinc/36/56/88/977365688.db2.gz JYLNBVMVVJERSE-UHFFFAOYSA-N 0 1 243.314 2.159 20 0 BEADMN C[C@@H](Oc1nncc2n[nH]cc21)c1ccco1 ZINC001230901962 977372473 /nfs/dbraw/zinc/37/24/73/977372473.db2.gz WBPXZYOEWIKZIO-SSDOTTSWSA-N 0 1 230.227 2.086 20 0 BEADMN COc1cc(Nc2ccnc(CO)c2)ccc1F ZINC001175395707 977387666 /nfs/dbraw/zinc/38/76/66/977387666.db2.gz PFMBJJCAFJPOSG-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN CC(C)c1nnc(Nc2cnc3n[nH]cc3c2)o1 ZINC001175400728 977410571 /nfs/dbraw/zinc/41/05/71/977410571.db2.gz JGWSXGVDJJZEBP-UHFFFAOYSA-N 0 1 244.258 2.208 20 0 BEADMN Cc1nnc(Nc2cccc3c2cnn3C)o1 ZINC001175432711 977428522 /nfs/dbraw/zinc/42/85/22/977428522.db2.gz TUPFRBDRFDZNQG-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN CCc1csc([C@@H](C)NC[C@H](O)C2CC2)n1 ZINC001336038516 977446804 /nfs/dbraw/zinc/44/68/04/977446804.db2.gz ZFDFQCDZSMWPRE-KCJUWKMLSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1ccc2nc(N)n(-c3cncs3)c2c1 ZINC001175496203 977450718 /nfs/dbraw/zinc/45/07/18/977450718.db2.gz WZYKTFXQYQMYGI-UHFFFAOYSA-N 0 1 230.296 2.373 20 0 BEADMN OC[C@H](NCc1ccncc1)c1cccc(F)c1 ZINC001336039891 977452092 /nfs/dbraw/zinc/45/20/92/977452092.db2.gz UULANIQURURJBS-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN Cc1cc[nH]c2nc(O[C@@H]3CCCCC3=O)nc1-2 ZINC001231063250 977456875 /nfs/dbraw/zinc/45/68/75/977456875.db2.gz DBGJFJFKNCRJQB-SNVBAGLBSA-N 0 1 245.282 2.157 20 0 BEADMN Cc1cc(Nc2cncn2C)cc2c[nH]nc21 ZINC001175517176 977497310 /nfs/dbraw/zinc/49/73/10/977497310.db2.gz QAHHQBWPFNIINK-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179553 977527069 /nfs/dbraw/zinc/52/70/69/977527069.db2.gz UBBGJLXZMBSNBL-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)(C)C=CNc1ncccc1C(N)=O ZINC001175569103 977553817 /nfs/dbraw/zinc/55/38/17/977553817.db2.gz HXXWTEQBDLOREK-SOFGYWHQSA-N 0 1 219.288 2.152 20 0 BEADMN C[C@@H]1c2ccccc2C[N@H+]1[C@@H](C(=O)[O-])C1CC1 ZINC001594231322 977570953 /nfs/dbraw/zinc/57/09/53/977570953.db2.gz NWRQADKOLQBIOM-NOZJJQNGSA-N 0 1 231.295 2.426 20 0 BEADMN Cc1ccc(NC2=CCCN(C)C2)cn1 ZINC001175574253 977574181 /nfs/dbraw/zinc/57/41/81/977574181.db2.gz ROBVFPMKAWLGLW-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN Cc1c(F)ccc(CN2CCC[C@@H]2CO)c1F ZINC001231477113 977590273 /nfs/dbraw/zinc/59/02/73/977590273.db2.gz ZBDXOKVXJPYDJR-LLVKDONJSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1c(F)ccc(N)c1NC1=CCCN(C)C1 ZINC001175579211 977594187 /nfs/dbraw/zinc/59/41/87/977594187.db2.gz UKPZEVQSVCSZTF-UHFFFAOYSA-N 0 1 235.306 2.348 20 0 BEADMN CN1CCC=C(Nc2cccc3c2CCO3)C1 ZINC001175578222 977597210 /nfs/dbraw/zinc/59/72/10/977597210.db2.gz FUDXNMSQCZMDGW-UHFFFAOYSA-N 0 1 230.311 2.253 20 0 BEADMN Cc1c(F)ccc(CN2CC[C@@H](CO)C2)c1F ZINC001231477247 977601628 /nfs/dbraw/zinc/60/16/28/977601628.db2.gz HDOGEWSSMMAUBJ-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN C[N@H+]1CCC=C(Nc2ccc(C(=O)[O-])cc2)C1 ZINC001175580771 977603161 /nfs/dbraw/zinc/60/31/61/977603161.db2.gz SNKIQDJENFMRJB-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3cccnc23)C[C@@H](C)O1 ZINC001231486147 977606380 /nfs/dbraw/zinc/60/63/80/977606380.db2.gz MZJMOSLUKUQPPU-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1c[nH]c2cnccc12 ZINC001231513832 977616697 /nfs/dbraw/zinc/61/66/97/977616697.db2.gz BPGFSWRGQATFQK-KOLCDFICSA-N 0 1 233.290 2.495 20 0 BEADMN COc1ccc(F)c(NCc2cc(C)[nH]n2)c1 ZINC001336289117 977620863 /nfs/dbraw/zinc/62/08/63/977620863.db2.gz BWDYWRILQGPBHC-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN Cc1ccc(C[C@@]2(C)CCC[N@H+]2CC(=O)[O-])cc1 ZINC001594354588 977625536 /nfs/dbraw/zinc/62/55/36/977625536.db2.gz GGEQZPGIGLUUQO-OAHLLOKOSA-N 0 1 247.338 2.477 20 0 BEADMN Cc1[nH]nc2ccc(Nc3ccnnc3)cc21 ZINC001175696087 977625865 /nfs/dbraw/zinc/62/58/65/977625865.db2.gz QSLCPFGVNBHJFO-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1[nH]nc2ccc(Nc3cnc[nH]c3=O)cc12 ZINC001175694659 977627170 /nfs/dbraw/zinc/62/71/70/977627170.db2.gz UIBQYFXOHJTNEU-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1c[nH]c2cnccc12 ZINC001231523992 977628860 /nfs/dbraw/zinc/62/88/60/977628860.db2.gz JOURNZXDTLKGRJ-AWEZNQCLSA-N 0 1 243.310 2.116 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2nccnc2CN)[C@H]1C ZINC001336439958 977685821 /nfs/dbraw/zinc/68/58/21/977685821.db2.gz RUJHTOKHAUQYBF-VWYCJHECSA-N 0 1 234.347 2.172 20 0 BEADMN NCc1nccnc1NCCC1=CCCCC1 ZINC001336438337 977687731 /nfs/dbraw/zinc/68/77/31/977687731.db2.gz BQPPSZKJVZGEPB-UHFFFAOYSA-N 0 1 232.331 2.238 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)[O-] ZINC001231790267 977751212 /nfs/dbraw/zinc/75/12/12/977751212.db2.gz PCDLPKGGJREXTJ-LLVKDONJSA-N 0 1 249.310 2.134 20 0 BEADMN Nc1cncn1-c1cnn(C2CCCCC2)c1 ZINC001175880978 977772111 /nfs/dbraw/zinc/77/21/11/977772111.db2.gz LNLHEDAMHHAZRJ-UHFFFAOYSA-N 0 1 231.303 2.156 20 0 BEADMN F[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@@H]2C[C@@H]21 ZINC001231905073 977788890 /nfs/dbraw/zinc/78/88/90/977788890.db2.gz FKQPVDLXSYFXDO-RWMBFGLXSA-N 0 1 245.301 2.353 20 0 BEADMN CCCCN1CC(N(C)C(=O)C[C@@H](C)CC)C1 ZINC001277586891 977798594 /nfs/dbraw/zinc/79/85/94/977798594.db2.gz UYCBVTCXARLSJV-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN COc1cnc(CN2CC[C@@H](C)C[C@@H]2C)cn1 ZINC001231935746 977803186 /nfs/dbraw/zinc/80/31/86/977803186.db2.gz IYBWDHPWCBHIFJ-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN c1cc(Nc2cscn2)n(-c2ccncc2)n1 ZINC001175941126 977803594 /nfs/dbraw/zinc/80/35/94/977803594.db2.gz MGZPNLPFYROCGC-UHFFFAOYSA-N 0 1 243.295 2.467 20 0 BEADMN COc1cnc(C[N@@H+](C)CC2CCCCC2)cn1 ZINC001231937356 977806401 /nfs/dbraw/zinc/80/64/01/977806401.db2.gz ZXKWZONUHKQBPV-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN COc1cnc(CN2CCC3(CCC3)CC2)cn1 ZINC001231939346 977807647 /nfs/dbraw/zinc/80/76/47/977807647.db2.gz ROLPDMKTNFJIPC-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001231982111 977824578 /nfs/dbraw/zinc/82/45/78/977824578.db2.gz UUJLDUCLJRBVEH-ZMLRMANQSA-N 0 1 238.281 2.319 20 0 BEADMN Cc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc(C)n1 ZINC001231998525 977831024 /nfs/dbraw/zinc/83/10/24/977831024.db2.gz XPWRTBWFPYLKSJ-OKILXGFUSA-N 0 1 244.338 2.394 20 0 BEADMN C[N@H+](Cc1cncc(O)c1)C[C@@H]1CC1(C)C ZINC001232045283 977845252 /nfs/dbraw/zinc/84/52/52/977845252.db2.gz TYKUCCJTVXEULO-NSHDSACASA-N 0 1 220.316 2.265 20 0 BEADMN Fc1ccnc(Nc2ccc3nn[nH]c3c2)c1 ZINC001175995245 977850853 /nfs/dbraw/zinc/85/08/53/977850853.db2.gz AHEFIKXJUIWJPY-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1ccnc(Nc2ccc3n[nH]nc3c2)c1 ZINC001175995245 977850857 /nfs/dbraw/zinc/85/08/57/977850857.db2.gz AHEFIKXJUIWJPY-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Cn1ncc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001175999294 977857703 /nfs/dbraw/zinc/85/77/03/977857703.db2.gz WVBCENVJAWFTFT-UHFFFAOYSA-N 0 1 248.677 2.088 20 0 BEADMN Cn1ncc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001175999294 977857706 /nfs/dbraw/zinc/85/77/06/977857706.db2.gz WVBCENVJAWFTFT-UHFFFAOYSA-N 0 1 248.677 2.088 20 0 BEADMN Cc1ncc(Nc2ccc3nn[nH]c3c2)c(C)n1 ZINC001175998226 977857755 /nfs/dbraw/zinc/85/77/55/977857755.db2.gz GJDHZVTUVJGHHB-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1ncc(Nc2ccc3n[nH]nc3c2)c(C)n1 ZINC001175998226 977857757 /nfs/dbraw/zinc/85/77/57/977857757.db2.gz GJDHZVTUVJGHHB-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Oc1cncc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC001232041552 977866912 /nfs/dbraw/zinc/86/69/12/977866912.db2.gz DVNMWWQGLNDFLQ-NSHDSACASA-N 0 1 240.253 2.018 20 0 BEADMN CSC1CCN(Cc2cncc(O)c2)CC1 ZINC001232041811 977867264 /nfs/dbraw/zinc/86/72/64/977867264.db2.gz LDNAQNJJZAEZKD-UHFFFAOYSA-N 0 1 238.356 2.115 20 0 BEADMN COc1cnc(Cl)c(Nc2ncc[nH]2)c1 ZINC001176082000 977876818 /nfs/dbraw/zinc/87/68/18/977876818.db2.gz NZDQPTVDQMQNME-UHFFFAOYSA-N 0 1 224.651 2.210 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001594932894 977887608 /nfs/dbraw/zinc/88/76/08/977887608.db2.gz OTHRXEINDILXGY-KGYLQXTDSA-N 0 1 249.285 2.088 20 0 BEADMN CCN(Cc1cn(C)nc1C(F)(F)F)C1CC1 ZINC001232085483 977888091 /nfs/dbraw/zinc/88/80/91/977888091.db2.gz AQDZYCQNKQNLIZ-UHFFFAOYSA-N 0 1 247.264 2.423 20 0 BEADMN C[C@@H]1COCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232090602 977890540 /nfs/dbraw/zinc/89/05/40/977890540.db2.gz KXJPOYBFRDETEX-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN Cn1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C2CC2)n1 ZINC001232168558 977902580 /nfs/dbraw/zinc/90/25/80/977902580.db2.gz SASGSOATNIPGHE-DRZSPHRISA-N 0 1 249.333 2.087 20 0 BEADMN Cn1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C2CC2)n1 ZINC001232168559 977905862 /nfs/dbraw/zinc/90/58/62/977905862.db2.gz SASGSOATNIPGHE-WCFLWFBJSA-N 0 1 249.333 2.087 20 0 BEADMN F[C@@H]1CCCN(Cc2ccns2)CC1 ZINC001232188644 977911749 /nfs/dbraw/zinc/91/17/49/977911749.db2.gz HVYQIWIZENZVQS-SECBINFHSA-N 0 1 214.309 2.467 20 0 BEADMN Cc1scnc1CN1CCC[C@H](C)[C@@H]1CO ZINC001232204599 977924452 /nfs/dbraw/zinc/92/44/52/977924452.db2.gz SCTXLUODIVFYRT-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1scnc1CN1CCC[C@](C)(O)CC1 ZINC001232204680 977930891 /nfs/dbraw/zinc/93/08/91/977930891.db2.gz UHNLSNPNKOFHMC-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1scnc1CN1CC[C@@H](C)[C@H](O)CC1 ZINC001232204714 977930919 /nfs/dbraw/zinc/93/09/19/977930919.db2.gz WBQKDEMWGPJWAS-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN COc1ccncc1Nc1nonc1C1CC1 ZINC001176119486 977954530 /nfs/dbraw/zinc/95/45/30/977954530.db2.gz VBQAOWZYTNEIFR-UHFFFAOYSA-N 0 1 232.243 2.094 20 0 BEADMN CSC1CCN(Cc2cnsc2)CC1 ZINC001232227429 977955344 /nfs/dbraw/zinc/95/53/44/977955344.db2.gz MYUGOGISDXRLEN-UHFFFAOYSA-N 0 1 228.386 2.471 20 0 BEADMN CN1CC2(C1)CN(Cc1cc(Cl)cs1)C2 ZINC001232282810 977993677 /nfs/dbraw/zinc/99/36/77/977993677.db2.gz AIBGDTSSXSBKMR-UHFFFAOYSA-N 0 1 242.775 2.149 20 0 BEADMN CCOc1ncc(CN2CC[C@@H]2C)cc1C ZINC001232302905 977998192 /nfs/dbraw/zinc/99/81/92/977998192.db2.gz NYFOBTCHTRVLHA-NSHDSACASA-N 0 1 220.316 2.383 20 0 BEADMN Cn1cncc1Nc1ccc2c(c1)CCC2=O ZINC001176229887 978003762 /nfs/dbraw/zinc/00/37/62/978003762.db2.gz ABEFJJALJWMAHN-UHFFFAOYSA-N 0 1 227.267 2.293 20 0 BEADMN CC[N@@H+](Cc1cnc(OC)cc1C)C1CC1 ZINC001232348681 978033467 /nfs/dbraw/zinc/03/34/67/978033467.db2.gz MWFXHKAENOBDHY-UHFFFAOYSA-N 0 1 220.316 2.383 20 0 BEADMN Cc1cccc(CN2CC(CO)C2)c1OC(C)C ZINC001232391779 978052620 /nfs/dbraw/zinc/05/26/20/978052620.db2.gz QDPJNMASSSKBIK-UHFFFAOYSA-N 0 1 249.354 2.206 20 0 BEADMN Fc1ccc2nc(CN3CC4CC(C4)C3)cn2c1 ZINC001232414110 978055323 /nfs/dbraw/zinc/05/53/23/978055323.db2.gz AMFOAXBATWSKFH-UHFFFAOYSA-N 0 1 245.301 2.315 20 0 BEADMN F[C@@H]1CCCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001232428913 978069815 /nfs/dbraw/zinc/06/98/15/978069815.db2.gz WXBJHYICKKNTEC-SNVBAGLBSA-N 0 1 237.322 2.222 20 0 BEADMN Cc1ncc(CN(C)Cc2cccs2)[nH]1 ZINC001232462562 978101496 /nfs/dbraw/zinc/10/14/96/978101496.db2.gz RLWYRLFBDZCEJI-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CC(F)(F)CN1CCN(C2CCCC2)CC1 ZINC001176494620 978101782 /nfs/dbraw/zinc/10/17/82/978101782.db2.gz BSCYUKJWETXTEL-UHFFFAOYSA-N 0 1 232.318 2.202 20 0 BEADMN Cc1ncc(CN2CCOC3(CCCCC3)C2)[nH]1 ZINC001232464581 978114210 /nfs/dbraw/zinc/11/42/10/978114210.db2.gz INIOOSIZZQSSDR-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN CC1CCN(Cc2cc(F)ccn2)CC1 ZINC001232489347 978140154 /nfs/dbraw/zinc/14/01/54/978140154.db2.gz AFYGTIXIAQJPCZ-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CC[C@H](F)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC001337077189 978153725 /nfs/dbraw/zinc/15/37/25/978153725.db2.gz UKEMRFKPZIIVRN-JTQLQIEISA-N 0 1 248.261 2.158 20 0 BEADMN FCc1cccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)n1 ZINC001232534501 978163945 /nfs/dbraw/zinc/16/39/45/978163945.db2.gz DITDYBUILFAWPM-TVYUQYBPSA-N 0 1 238.281 2.483 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc3ccoc3cn2)CCCO1 ZINC001232550031 978176290 /nfs/dbraw/zinc/17/62/90/978176290.db2.gz QAHNQIDJRKFXHB-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN C[C@H]1CN(Cc2cc3ccoc3cn2)CCCO1 ZINC001232550031 978176298 /nfs/dbraw/zinc/17/62/98/978176298.db2.gz QAHNQIDJRKFXHB-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN OC[C@@H]1CCCCN1Cc1cc2ccoc2cn1 ZINC001232551365 978178421 /nfs/dbraw/zinc/17/84/21/978178421.db2.gz LMWLCEGEFAVWFU-ZDUSSCGKSA-N 0 1 246.310 2.175 20 0 BEADMN O[C@@H]1CCCCN(Cc2nc3ccccc3o2)C1 ZINC001232555162 978180914 /nfs/dbraw/zinc/18/09/14/978180914.db2.gz NUDRYCFHZILRHP-LLVKDONJSA-N 0 1 246.310 2.175 20 0 BEADMN O[C@H]1CCCCN(Cc2nc3ccccc3o2)C1 ZINC001232555163 978181935 /nfs/dbraw/zinc/18/19/35/978181935.db2.gz NUDRYCFHZILRHP-NSHDSACASA-N 0 1 246.310 2.175 20 0 BEADMN c1cc2cc(CN3C[C@@H]4CCO[C@@H]4C3)ncc2o1 ZINC001232553778 978182324 /nfs/dbraw/zinc/18/23/24/978182324.db2.gz FHZYKVREXDRAGT-SMDDNHRTSA-N 0 1 244.294 2.049 20 0 BEADMN CCOc1ccnc(CN2CCCCC2)c1 ZINC001232578898 978186767 /nfs/dbraw/zinc/18/67/67/978186767.db2.gz HJLRFMZIDUFIPM-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN CC(C)c1cccc(NC(=O)Cc2cnc[nH]2)n1 ZINC001176827014 978191239 /nfs/dbraw/zinc/19/12/39/978191239.db2.gz BUUZLNWFAAUGFX-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN COc1cccc(C)c1CN1CC[C@]12CCOC2 ZINC001232624123 978200462 /nfs/dbraw/zinc/20/04/62/978200462.db2.gz ZAPQVMDGAFVQEW-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1cccc2cc[nH]c21 ZINC001176833777 978201092 /nfs/dbraw/zinc/20/10/92/978201092.db2.gz WRADZRNZFZRIIV-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN NCc1nccnc1NC[C@H]1CCC[C@@H]1C1CC1 ZINC001337192593 978208670 /nfs/dbraw/zinc/20/86/70/978208670.db2.gz OYVQAQAELGCXGL-VXGBXAGGSA-N 0 1 246.358 2.174 20 0 BEADMN F[C@@H]1CCCCN(Cc2c[nH]c3ncncc23)C1 ZINC001232654272 978210716 /nfs/dbraw/zinc/21/07/16/978210716.db2.gz HONRWOSPJLYKSR-LLVKDONJSA-N 0 1 248.305 2.234 20 0 BEADMN F[C@H]1CCCCN(Cc2c[nH]c3ncncc23)C1 ZINC001232654275 978211239 /nfs/dbraw/zinc/21/12/39/978211239.db2.gz HONRWOSPJLYKSR-NSHDSACASA-N 0 1 248.305 2.234 20 0 BEADMN CNc1ccccc1CN1CC[C@@H](F)C1 ZINC001232668425 978227547 /nfs/dbraw/zinc/22/75/47/978227547.db2.gz KCKGXSTXFQHKPQ-LLVKDONJSA-N 0 1 208.280 2.272 20 0 BEADMN CC1(CO)CN(Cc2cccc3ncsc32)C1 ZINC001232730174 978251038 /nfs/dbraw/zinc/25/10/38/978251038.db2.gz JSMHQEBMYXMJNF-UHFFFAOYSA-N 0 1 248.351 2.111 20 0 BEADMN CCOC(=O)/C=C\CN[C@@H](C)c1ncccc1C ZINC001176896191 978252260 /nfs/dbraw/zinc/25/22/60/978252260.db2.gz DZRVAEDXBPXXKW-VFFGBVLKSA-N 0 1 248.326 2.160 20 0 BEADMN COC(=O)c1cc(CN2CCC(C)(C)C2)ccn1 ZINC001232770646 978266668 /nfs/dbraw/zinc/26/66/68/978266668.db2.gz PPAQBYUHLBNOME-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN Cc1cc(O)cc(CN2CC3(C2)CCOCC3)c1 ZINC001232882136 978320776 /nfs/dbraw/zinc/32/07/76/978320776.db2.gz VYJIJUCLOBIURS-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN Cc1cc(CN(C)c2ccccc2)n[nH]1 ZINC001337467899 978353557 /nfs/dbraw/zinc/35/35/57/978353557.db2.gz QDYOCBDXKBHEON-UHFFFAOYSA-N 0 1 201.273 2.355 20 0 BEADMN Cc1noc2ncc(CNCc3ccoc3)cc12 ZINC001177436415 978369227 /nfs/dbraw/zinc/36/92/27/978369227.db2.gz BCDZQAXWWBKQGD-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN O=C(CCF)Nc1cccc(Cl)c1O ZINC001598121493 978415093 /nfs/dbraw/zinc/41/50/93/978415093.db2.gz FHMZJDLHYVGELA-UHFFFAOYSA-N 0 1 217.627 2.344 20 0 BEADMN COC[C@@H]1CCCN1Cc1cccc(O)c1F ZINC001233050593 978441809 /nfs/dbraw/zinc/44/18/09/978441809.db2.gz QQFNGBBXIKQQRT-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN COCCN(Cc1cccc(O)c1F)C(C)C ZINC001233052520 978449487 /nfs/dbraw/zinc/44/94/87/978449487.db2.gz PFIBCGGTVDPDCN-UHFFFAOYSA-N 0 1 241.306 2.388 20 0 BEADMN Oc1cccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1F ZINC001233058207 978453916 /nfs/dbraw/zinc/45/39/16/978453916.db2.gz VLHHDSRXDFFIHU-RTCCRHLQSA-N 0 1 239.265 2.179 20 0 BEADMN Oc1cccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)c1F ZINC001233058207 978453922 /nfs/dbraw/zinc/45/39/22/978453922.db2.gz VLHHDSRXDFFIHU-RTCCRHLQSA-N 0 1 239.265 2.179 20 0 BEADMN CN1CC[C@H]([N@@H+](C)Cc2ccc([S-])cc2)C1 ZINC001233261218 978516265 /nfs/dbraw/zinc/51/62/65/978516265.db2.gz HJDCEDPGXARDHL-LBPRGKRZSA-N 0 1 236.384 2.111 20 0 BEADMN CN(Cc1ccc([S-])cc1)[C@H]1CC[N@H+](C)C1 ZINC001233261218 978516269 /nfs/dbraw/zinc/51/62/69/978516269.db2.gz HJDCEDPGXARDHL-LBPRGKRZSA-N 0 1 236.384 2.111 20 0 BEADMN CN(Cc1ccc([S-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC001233261218 978516273 /nfs/dbraw/zinc/51/62/73/978516273.db2.gz HJDCEDPGXARDHL-LBPRGKRZSA-N 0 1 236.384 2.111 20 0 BEADMN C[C@@]1(O)CCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233261265 978516283 /nfs/dbraw/zinc/51/62/83/978516283.db2.gz IQMFZPCMCSMPQG-CYBMUJFWSA-N 0 1 237.368 2.322 20 0 BEADMN [S-]c1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC001233262025 978519499 /nfs/dbraw/zinc/51/94/99/978519499.db2.gz OANCPFKYAIDDMM-UHFFFAOYSA-N 0 1 235.352 2.340 20 0 BEADMN [S-]c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001233262159 978520992 /nfs/dbraw/zinc/52/09/92/978520992.db2.gz UAGSTIBPUJJIGB-WCQYABFASA-N 0 1 235.352 2.196 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)sn1 ZINC001233312891 978541786 /nfs/dbraw/zinc/54/17/86/978541786.db2.gz RSRCDECSGXIEIK-QXEWZRGKSA-N 0 1 226.320 2.384 20 0 BEADMN CC1(C)CCC[C@@H]1CNc1nccnc1CN ZINC001337894218 978556645 /nfs/dbraw/zinc/55/66/45/978556645.db2.gz IQVJXFLTCRQHBG-SNVBAGLBSA-N 0 1 234.347 2.174 20 0 BEADMN Cc1cnsc1CN(C)C[C@@H]1CCCCO1 ZINC001233320585 978558671 /nfs/dbraw/zinc/55/86/71/978558671.db2.gz GCSFNBMBXNUGBO-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CCOC(=O)c1ccnc(CN2CC[C@@H](C)C2)c1 ZINC001233323818 978561863 /nfs/dbraw/zinc/56/18/63/978561863.db2.gz JPBLQUSULNMKDI-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN CSCCN(C)Cc1cc(F)c(F)cc1N ZINC001233382356 978593841 /nfs/dbraw/zinc/59/38/41/978593841.db2.gz RPCXZNJKIYKMRN-UHFFFAOYSA-N 0 1 246.326 2.342 20 0 BEADMN CC(C)=CC(=O)NCCCN(C)C/C=C/Cl ZINC001233544964 978620684 /nfs/dbraw/zinc/62/06/84/978620684.db2.gz PXVYYYYZZVXSFZ-GQCTYLIASA-N 0 1 244.766 2.143 20 0 BEADMN CC=CC=CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001338252205 978642314 /nfs/dbraw/zinc/64/23/14/978642314.db2.gz HIJQUGBOUPGPQW-SWBALALESA-N 0 1 244.254 2.136 20 0 BEADMN CCC(C)=CC(=O)NCc1nc2c([nH]1)CCCC2 ZINC001178922801 978646180 /nfs/dbraw/zinc/64/61/80/978646180.db2.gz ZHYVZPOBZLZRDD-CSKARUKUSA-N 0 1 247.342 2.261 20 0 BEADMN Cc1cc(C[N@@H+](C)CC2CCC2)[nH]c1C(=O)[O-] ZINC001600190385 978674335 /nfs/dbraw/zinc/67/43/35/978674335.db2.gz OSNIEHJOYWTJHL-UHFFFAOYSA-N 0 1 236.315 2.253 20 0 BEADMN Cc1cc(C[N@@H+](C)CCC2CC2)[nH]c1C(=O)[O-] ZINC001600190501 978674625 /nfs/dbraw/zinc/67/46/25/978674625.db2.gz RAVYPBFUJHEIKA-UHFFFAOYSA-N 0 1 236.315 2.253 20 0 BEADMN Cc1ccc(C2=CC[N@@H+](CC(=O)[O-])CC2)cc1 ZINC001600393534 978690286 /nfs/dbraw/zinc/69/02/86/978690286.db2.gz NCMDLMILMDJVPH-UHFFFAOYSA-N 0 1 231.295 2.169 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001179309224 978692697 /nfs/dbraw/zinc/69/26/97/978692697.db2.gz CLVKNDXQCCOLEH-ITGUQSILSA-N 0 1 241.294 2.319 20 0 BEADMN CC1(C)CCN(Cc2ccc3c(n2)OCCO3)C1 ZINC001233877651 978721162 /nfs/dbraw/zinc/72/11/62/978721162.db2.gz WOSUUUOANULJOU-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN Cc1[nH+]cn(C[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC001600758397 978727370 /nfs/dbraw/zinc/72/73/70/978727370.db2.gz OGQJDTYUBCODAO-RYUDHWBXSA-N 0 1 236.315 2.391 20 0 BEADMN Cc1[nH+]cn(C[C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC001600758398 978728892 /nfs/dbraw/zinc/72/88/92/978728892.db2.gz OGQJDTYUBCODAO-VXGBXAGGSA-N 0 1 236.315 2.391 20 0 BEADMN Cn1c(C[N@H+]2C[C@H]3CCCC[C@H]32)ccc1C(=O)[O-] ZINC001600915112 978742646 /nfs/dbraw/zinc/74/26/46/978742646.db2.gz XVPMTYHPLBQLIO-ZYHUDNBSSA-N 0 1 248.326 2.098 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1C=CCCC1 ZINC001339088502 978789554 /nfs/dbraw/zinc/78/95/54/978789554.db2.gz WCUFOXFGUVLSNN-NEPJUHHUSA-N 0 1 236.359 2.084 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)CCC1CC1 ZINC001339263339 978826494 /nfs/dbraw/zinc/82/64/94/978826494.db2.gz CZVSBENWDMWECW-UHFFFAOYSA-N 0 1 244.298 2.395 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@H]2C[C@H]21 ZINC001601697060 978831214 /nfs/dbraw/zinc/83/12/14/978831214.db2.gz YTGSZNLNUCTENZ-AXTRIDKLSA-N 0 1 235.258 2.046 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001601709014 978835406 /nfs/dbraw/zinc/83/54/06/978835406.db2.gz XIIHUYQAKXNHIT-LBPRGKRZSA-N 0 1 246.310 2.083 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H]3CCCO[C@@H]3C2)[nH]1 ZINC001234609749 978871530 /nfs/dbraw/zinc/87/15/30/978871530.db2.gz QEPYJBKYYWSKBL-GXTWGEPZSA-N 0 1 249.358 2.027 20 0 BEADMN CCC[C@@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234688357 978897905 /nfs/dbraw/zinc/89/79/05/978897905.db2.gz ZSONCGSWJVNMMS-ZCFIWIBFSA-N 0 1 224.239 2.059 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H]2C)[nH]1 ZINC001339780805 978911789 /nfs/dbraw/zinc/91/17/89/978911789.db2.gz WFVPVKWHSWJPDY-UWVGGRQHSA-N 0 1 235.331 2.404 20 0 BEADMN NCc1nccnc1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC001339783313 978913128 /nfs/dbraw/zinc/91/31/28/978913128.db2.gz MYICLMLZWXXXPW-ILWJIGKKSA-N 0 1 235.356 2.074 20 0 BEADMN Cc1ccnc(NCC(C)(C)[C@@H](C)O)c1 ZINC001339869926 978919882 /nfs/dbraw/zinc/91/98/82/978919882.db2.gz PXHJVJRZOCQVHL-SNVBAGLBSA-N 0 1 208.305 2.209 20 0 BEADMN CC[C@@H]1CCN(Cc2cc(COC)on2)[C@H]1C ZINC001181044709 978990271 /nfs/dbraw/zinc/99/02/71/978990271.db2.gz ZIVVSYVCZAYSHQ-WDEREUQCSA-N 0 1 238.331 2.441 20 0 BEADMN OC[C@H]1CCC[N@H+]1Cc1cc2cccc(F)c2[nH]1 ZINC001235236149 979002568 /nfs/dbraw/zinc/00/25/68/979002568.db2.gz DJHCRXRNROYRMN-GFCCVEGCSA-N 0 1 248.301 2.264 20 0 BEADMN OC[C@H]1CCCN1Cc1cc2cccc(F)c2[nH]1 ZINC001235236149 979002573 /nfs/dbraw/zinc/00/25/73/979002573.db2.gz DJHCRXRNROYRMN-GFCCVEGCSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@H]1C[N@@H+](Cc2cc3cccc(F)c3[nH]2)C[C@H]1O ZINC001235242000 979003299 /nfs/dbraw/zinc/00/32/99/979003299.db2.gz XQFAKHLPJGKTJW-TVQRCGJNSA-N 0 1 248.301 2.120 20 0 BEADMN C[C@H]1CN(Cc2cc3cccc(F)c3[nH]2)C[C@H]1O ZINC001235242000 979003309 /nfs/dbraw/zinc/00/33/09/979003309.db2.gz XQFAKHLPJGKTJW-TVQRCGJNSA-N 0 1 248.301 2.120 20 0 BEADMN CCc1cccc(CN2CCC[C@H](C(C)=O)C2)n1 ZINC001235260662 979015697 /nfs/dbraw/zinc/01/56/97/979015697.db2.gz MMXIJUIPURUSBH-ZDUSSCGKSA-N 0 1 246.354 2.445 20 0 BEADMN COc1cc(CN2CCC[C@H]3C[C@H]32)c(F)cn1 ZINC001235321540 979022967 /nfs/dbraw/zinc/02/29/67/979022967.db2.gz BDPBTQYBGZSCQN-JOYOIKCWSA-N 0 1 236.290 2.214 20 0 BEADMN COc1cncc(CN(C)CCSC)c1C ZINC001235475205 979051540 /nfs/dbraw/zinc/05/15/40/979051540.db2.gz RMWCMNTUVXGHTG-UHFFFAOYSA-N 0 1 240.372 2.193 20 0 BEADMN Oc1ccc(CN2CCC(F)CC2)cc1F ZINC000689907180 979060315 /nfs/dbraw/zinc/06/03/15/979060315.db2.gz CTQUXMOCBHLCAU-UHFFFAOYSA-N 0 1 227.254 2.465 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c[nH]1 ZINC001602256604 979095707 /nfs/dbraw/zinc/09/57/07/979095707.db2.gz KKPXQCFSFGDAAD-GFCCVEGCSA-N 0 1 248.326 2.335 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC001602482796 979118372 /nfs/dbraw/zinc/11/83/72/979118372.db2.gz KMDJALCFRBJQEY-INTQDDNPSA-N 0 1 232.283 2.380 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1nc2cccc(C)c2[nH]1 ZINC001181547003 979147552 /nfs/dbraw/zinc/14/75/52/979147552.db2.gz PDEKERWCXBPDDJ-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001235808100 979152236 /nfs/dbraw/zinc/15/22/36/979152236.db2.gz ZDDCFZFQTWRQRM-SRVKXCTJSA-N 0 1 238.281 2.319 20 0 BEADMN CC/C=C\CCCN1CC[C@@H](N)C(F)(F)C1 ZINC001235911212 979203305 /nfs/dbraw/zinc/20/33/05/979203305.db2.gz FAWACELQYVTDQR-DLRQAJBASA-N 0 1 232.318 2.401 20 0 BEADMN CC(C)N(CCCCO)CC(=O)c1ccccc1 ZINC001235961457 979233725 /nfs/dbraw/zinc/23/37/25/979233725.db2.gz AYAAZTFUSORQJJ-UHFFFAOYSA-N 0 1 249.354 2.352 20 0 BEADMN C[C@@H](NCC1CCC2(CC2)CC1)c1ncn(C)n1 ZINC001341265166 979301424 /nfs/dbraw/zinc/30/14/24/979301424.db2.gz IBYKPJHYKRDCPZ-LLVKDONJSA-N 0 1 248.374 2.436 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+](C1CC1)C1CCCC1 ZINC001602954960 979341607 /nfs/dbraw/zinc/34/16/07/979341607.db2.gz JLEADOIWGOBJJH-CSKARUKUSA-N 0 1 223.316 2.424 20 0 BEADMN C[C@@H](CC(=O)[O-])[NH2+]CC(F)(F)c1ccccc1 ZINC001603134631 979386696 /nfs/dbraw/zinc/38/66/96/979386696.db2.gz VPRPGMOKGPSHAU-VIFPVBQESA-N 0 1 243.253 2.231 20 0 BEADMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cncs1 ZINC001603255614 979419401 /nfs/dbraw/zinc/41/94/01/979419401.db2.gz QYFGGCJUBFJAEB-SSDOTTSWSA-N 0 1 249.295 2.409 20 0 BEADMN CC1=C(c2ccco2)C[N@@H+](CCC(=O)[O-])CC1 ZINC001603352332 979444112 /nfs/dbraw/zinc/44/41/12/979444112.db2.gz OURXCEVWYVUYFY-UHFFFAOYSA-N 0 1 235.283 2.234 20 0 BEADMN COc1nc(CNC/C=C/C2CC2)ccc1C ZINC001182088550 979450993 /nfs/dbraw/zinc/45/09/93/979450993.db2.gz UWTJITYFGRMLPO-ONEGZZNKSA-N 0 1 232.327 2.454 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc2ocnc21 ZINC001151236149 979544656 /nfs/dbraw/zinc/54/46/56/979544656.db2.gz DBGLWOGGNVDQNQ-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN COc1cncc(-c2cc3[nH]cnc3cn2)c1C ZINC001236370646 979569028 /nfs/dbraw/zinc/56/90/28/979569028.db2.gz IILGKTZEKORBNY-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1ccc(F)c(-c2nccc3n[nH]nc32)c1O ZINC001236388979 979576855 /nfs/dbraw/zinc/57/68/55/979576855.db2.gz CQNBZSZSNGMLIV-UHFFFAOYSA-N 0 1 244.229 2.173 20 0 BEADMN CC(C)[N@@H+](CCc1ccccc1)CC1OCCO1 ZINC001341875790 979583762 /nfs/dbraw/zinc/58/37/62/979583762.db2.gz JUSRNABTYVRWMI-UHFFFAOYSA-N 0 1 249.354 2.312 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc2[nH]ccc2c1 ZINC001604167247 979591278 /nfs/dbraw/zinc/59/12/78/979591278.db2.gz DKSNJGKINDKEIT-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN C[C@H](C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)CC(C)(C)C ZINC001604168133 979595037 /nfs/dbraw/zinc/59/50/37/979595037.db2.gz FSRPEKMQWJAVKJ-NNYUYHANSA-N 0 1 239.359 2.321 20 0 BEADMN C[C@@H](C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)CC(C)(C)C ZINC001604168134 979595707 /nfs/dbraw/zinc/59/57/07/979595707.db2.gz FSRPEKMQWJAVKJ-WYUUTHIRSA-N 0 1 239.359 2.321 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](C)CCCF ZINC001604479599 979659383 /nfs/dbraw/zinc/65/93/83/979659383.db2.gz WDKYIJFPMWLMOX-ZETCQYMHSA-N 0 1 246.307 2.194 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)CCCF ZINC001604479599 979659388 /nfs/dbraw/zinc/65/93/88/979659388.db2.gz WDKYIJFPMWLMOX-ZETCQYMHSA-N 0 1 246.307 2.194 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](CCCCC(=O)[O-])CC1 ZINC001604486845 979665004 /nfs/dbraw/zinc/66/50/04/979665004.db2.gz CXDDNOFALDBMOQ-CYBMUJFWSA-N 0 1 243.347 2.132 20 0 BEADMN Oc1cncc(-c2cccn3cncc23)c1 ZINC001236584723 979666799 /nfs/dbraw/zinc/66/67/99/979666799.db2.gz BSRLMYNBGRELSK-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN Cc1nc(C)c(CN2CCC[C@]3(CCO3)C2)o1 ZINC001236595333 979671328 /nfs/dbraw/zinc/67/13/28/979671328.db2.gz QIYSPTHTVJTTJP-ZDUSSCGKSA-N 0 1 236.315 2.046 20 0 BEADMN C[C@H]1NCCn2c(C(=O)N(C)C(C)(C)C)ccc21 ZINC001342127946 979672774 /nfs/dbraw/zinc/67/27/74/979672774.db2.gz JTKVEPJYJPTVFJ-SNVBAGLBSA-N 0 1 249.358 2.023 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccc(F)c(O)c1 ZINC001236704669 979699896 /nfs/dbraw/zinc/69/98/96/979699896.db2.gz XVJBQGDPLHBMCT-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN Cc1c(C(=O)NCC2CCC2)ccc2cncn21 ZINC001342191567 979700133 /nfs/dbraw/zinc/70/01/33/979700133.db2.gz AERDYVGTMUREHC-UHFFFAOYSA-N 0 1 243.310 2.173 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H]1C=CCC1 ZINC001331364532 979747406 /nfs/dbraw/zinc/74/74/06/979747406.db2.gz ORJUVEQEEXHLDQ-TZMCWYRMSA-N 0 1 244.338 2.077 20 0 BEADMN c1nc2cccc(C[C@@H]3CCCO3)c2[nH]1 ZINC001250105593 979783445 /nfs/dbraw/zinc/78/34/45/979783445.db2.gz NZLJYWXGPCKQRP-JTQLQIEISA-N 0 1 202.257 2.284 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001604963679 979786898 /nfs/dbraw/zinc/78/68/98/979786898.db2.gz VFQDDCVGBCQKED-KOLCDFICSA-N 0 1 241.331 2.254 20 0 BEADMN Cc1cccnc1CN1CCOC[C@]1(C)C1CC1 ZINC001342388350 979789254 /nfs/dbraw/zinc/78/92/54/979789254.db2.gz VFLFKQQURFRAKV-OAHLLOKOSA-N 0 1 246.354 2.391 20 0 BEADMN CC/C=C\CCN1CCN[C@@H](C(F)(F)F)C1 ZINC001236981109 979801728 /nfs/dbraw/zinc/80/17/28/979801728.db2.gz LFFCWCXVNPOVAY-UMBAGQNISA-N 0 1 236.281 2.179 20 0 BEADMN Cc1cc(C)c(NC(=O)[C@@H](C(C)C)N(C)C)cn1 ZINC001183359388 979816104 /nfs/dbraw/zinc/81/61/04/979816104.db2.gz DLOMQYZBFMYZCH-CYBMUJFWSA-N 0 1 249.358 2.223 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc(C)n1 ZINC001605165919 979825632 /nfs/dbraw/zinc/82/56/32/979825632.db2.gz RVLLDBNACFZRGP-AWEZNQCLSA-N 0 1 248.326 2.138 20 0 BEADMN C1=C(c2nc([C@@H]3CN4CCC3CC4)no2)CCC1 ZINC001342546176 979826117 /nfs/dbraw/zinc/82/61/17/979826117.db2.gz NHGVGSSEPOSYNC-GFCCVEGCSA-N 0 1 245.326 2.446 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)n1C ZINC001605171910 979828144 /nfs/dbraw/zinc/82/81/44/979828144.db2.gz OSLQXPAWAYGXLC-JTQLQIEISA-N 0 1 236.315 2.016 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC001605171142 979828275 /nfs/dbraw/zinc/82/82/75/979828275.db2.gz JRAABCOUUMZXSW-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)[C@@H]1C ZINC001605173475 979828674 /nfs/dbraw/zinc/82/86/74/979828674.db2.gz YVGCLJQJMZSEKZ-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001605171141 979828865 /nfs/dbraw/zinc/82/88/65/979828865.db2.gz JPOPVRWXGHJCFC-WWQCOOJYSA-N 0 1 235.283 2.362 20 0 BEADMN CC[C@@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)[C@@H]1C ZINC001605173474 979829563 /nfs/dbraw/zinc/82/95/63/979829563.db2.gz YVGCLJQJMZSEKZ-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001605171078 979830366 /nfs/dbraw/zinc/83/03/66/979830366.db2.gz HXGAQUXWLMRMCP-JTQLQIEISA-N 0 1 236.315 2.253 20 0 BEADMN CC/C=C/C[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC001605185804 979832288 /nfs/dbraw/zinc/83/22/88/979832288.db2.gz CXGPCNAEXZRLSJ-HMDXOVGESA-N 0 1 225.313 2.430 20 0 BEADMN CC[C@H]1COCCN1CC1OC=CC1=S ZINC001237183893 979837397 /nfs/dbraw/zinc/83/73/97/979837397.db2.gz LZMCCKNXSRRYIF-VIFPVBQESA-N 0 1 227.329 2.179 20 0 BEADMN C[C@H]1CN(Cc2cccc(N)c2)CCCC1=O ZINC001237217453 979849423 /nfs/dbraw/zinc/84/94/23/979849423.db2.gz VPINMAORXNWAIO-NSHDSACASA-N 0 1 232.327 2.070 20 0 BEADMN CCCC[N@H+]1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001605280776 979851425 /nfs/dbraw/zinc/85/14/25/979851425.db2.gz NQZOFKYNSOBMTQ-ZDUSSCGKSA-N 0 1 249.310 2.004 20 0 BEADMN COCCN(C)Cc1ccncc1C(F)(F)F ZINC001237287253 979864928 /nfs/dbraw/zinc/86/49/28/979864928.db2.gz GCJWMJNAHQKZHH-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN CCc1cccc(C)c1CN1CC(C(=O)OC)C1 ZINC001237324302 979867608 /nfs/dbraw/zinc/86/76/08/979867608.db2.gz NCVIQMQPKYSJFE-UHFFFAOYSA-N 0 1 247.338 2.162 20 0 BEADMN CC[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001605435959 979873144 /nfs/dbraw/zinc/87/31/44/979873144.db2.gz XAUPXFGJUVGGLY-HTQZYQBOSA-N 0 1 235.274 2.073 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccn1C(F)F ZINC001605444361 979877432 /nfs/dbraw/zinc/87/74/32/979877432.db2.gz FCCKUAGZXGCLQW-UHFFFAOYSA-N 0 1 246.257 2.180 20 0 BEADMN CC[N@@H+](CCCOC(C)(C)C)C(C)(C)C(=O)[O-] ZINC001605446745 979877543 /nfs/dbraw/zinc/87/75/43/979877543.db2.gz GIDUYAGLAJTOMY-UHFFFAOYSA-N 0 1 245.363 2.377 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC=CC1 ZINC001237404351 979884475 /nfs/dbraw/zinc/88/44/75/979884475.db2.gz LQBZEZGZWHLZKJ-UHFFFAOYSA-N 0 1 216.284 2.017 20 0 BEADMN CC(=O)Nc1ccccc1CN1CC[C@H]1C ZINC001237403726 979886254 /nfs/dbraw/zinc/88/62/54/979886254.db2.gz IDFMLEOTWLNRDP-SNVBAGLBSA-N 0 1 218.300 2.239 20 0 BEADMN C[C@H]1CCN(Cc2cc3ccccn3n2)C1 ZINC001237438608 979890755 /nfs/dbraw/zinc/89/07/55/979890755.db2.gz JYFZFYODMAUMNB-NSHDSACASA-N 0 1 215.300 2.176 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cc4ccccn4n3)C[C@@H]21 ZINC001237444231 979896027 /nfs/dbraw/zinc/89/60/27/979896027.db2.gz AHANXXDPNXTQGK-OKILXGFUSA-N 0 1 241.338 2.422 20 0 BEADMN c1c(CN2C[C@H]3CC[C@@H]2C3)nn2ccccc12 ZINC001237446586 979896936 /nfs/dbraw/zinc/89/69/36/979896936.db2.gz MEIKALFFNJDRET-WCQYABFASA-N 0 1 227.311 2.319 20 0 BEADMN CSc1cnc(F)c(Nc2cncn2C)c1 ZINC001250138685 979918516 /nfs/dbraw/zinc/91/85/16/979918516.db2.gz YXKHUKHSRKFYSD-UHFFFAOYSA-N 0 1 238.291 2.420 20 0 BEADMN COc1c(C)cccc1CN1CC[C@]12CCOC2 ZINC001237505618 979921293 /nfs/dbraw/zinc/92/12/93/979921293.db2.gz JNZQLMCSRHOEJF-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN COC[C@@H]1CCN1Cc1cccc(C)c1OC ZINC001237506388 979928566 /nfs/dbraw/zinc/92/85/66/979928566.db2.gz YICNEFJMKSLSSC-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN OCC1CN(Cc2cccc3c(F)cccc23)C1 ZINC001237515790 979929317 /nfs/dbraw/zinc/92/93/17/979929317.db2.gz PTWYXZXBFWITRF-UHFFFAOYSA-N 0 1 245.297 2.403 20 0 BEADMN COc1cc(CN2C3CCC2CC3)cc(OC)n1 ZINC001237562485 979940632 /nfs/dbraw/zinc/94/06/32/979940632.db2.gz PHLSVHAEQHRFLD-UHFFFAOYSA-N 0 1 248.326 2.226 20 0 BEADMN COc1cc(CN2CCCC23CC3)cc(OC)n1 ZINC001237553834 979941242 /nfs/dbraw/zinc/94/12/42/979941242.db2.gz UUZSMMXAJGUJMF-UHFFFAOYSA-N 0 1 248.326 2.227 20 0 BEADMN CCn1cncc1CN1CC[C@]2(C1)CCCCO2 ZINC001237594397 979955918 /nfs/dbraw/zinc/95/59/18/979955918.db2.gz WRDHOWVWMXWNBU-AWEZNQCLSA-N 0 1 249.358 2.048 20 0 BEADMN Fc1ccc([C@@H]2CCCN2Cc2nnc[nH]2)cc1 ZINC001237602565 979962046 /nfs/dbraw/zinc/96/20/46/979962046.db2.gz VSXCZTYYJLJVGM-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN Fc1ccccc1[C@@H]1CCCN1Cc1nnc[nH]1 ZINC001237608792 979972386 /nfs/dbraw/zinc/97/23/86/979972386.db2.gz PAEUYOIABOJMFT-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001606229640 979974864 /nfs/dbraw/zinc/97/48/64/979974864.db2.gz YDKFLRFYFMBGAH-MCIONIFRSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1cnc(CN(CC2CC2)C2CC2)nc1 ZINC001237808381 980053514 /nfs/dbraw/zinc/05/35/14/980053514.db2.gz VBWBOHHIBRXWQO-UHFFFAOYSA-N 0 1 217.316 2.159 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1ncc(C)cn1 ZINC001237805939 980056153 /nfs/dbraw/zinc/05/61/53/980056153.db2.gz KNIABDZIXMPWJV-ZDUSSCGKSA-N 0 1 249.358 2.176 20 0 BEADMN C[C@H]1C[C@H]1CN1CC(Oc2ccccc2)C1 ZINC001184428420 980082440 /nfs/dbraw/zinc/08/24/40/980082440.db2.gz LNAPKBKMPZPSAS-RYUDHWBXSA-N 0 1 217.312 2.406 20 0 BEADMN Cc1cc(CCC(F)(F)F)cnc1N ZINC001250152136 980092548 /nfs/dbraw/zinc/09/25/48/980092548.db2.gz PBRHRUVACXHCFK-UHFFFAOYSA-N 0 1 204.195 2.467 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC001607309334 980094121 /nfs/dbraw/zinc/09/41/21/980094121.db2.gz IZKPPUKKCCPYHI-CWSCBRNRSA-N 0 1 249.310 2.304 20 0 BEADMN CCCN(CCOC)Cc1occc1OC ZINC001237863120 980099075 /nfs/dbraw/zinc/09/90/75/980099075.db2.gz KRFGCVNICOHWIH-UHFFFAOYSA-N 0 1 227.304 2.147 20 0 BEADMN COc1ccoc1CN(C)CCc1ccncc1 ZINC001237871432 980106620 /nfs/dbraw/zinc/10/66/20/980106620.db2.gz KCWDNQZIRLSDQT-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccoc1CN1CC[C@@H](OC)C[C@@H]1C ZINC001237874805 980107941 /nfs/dbraw/zinc/10/79/41/980107941.db2.gz ZTTKPWHSFQSUKI-WDEREUQCSA-N 0 1 239.315 2.288 20 0 BEADMN COc1ccoc1CN1CC[C@@H](OC)C[C@H]1C ZINC001237874802 980108482 /nfs/dbraw/zinc/10/84/82/980108482.db2.gz ZTTKPWHSFQSUKI-GHMZBOCLSA-N 0 1 239.315 2.288 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC001607497266 980112864 /nfs/dbraw/zinc/11/28/64/980112864.db2.gz UDDRPVZCFUMYDB-SECBINFHSA-N 0 1 236.315 2.253 20 0 BEADMN Cc1[nH]c(C[N@@H+](C)CC2CCC2)cc1C(=O)[O-] ZINC001607495821 980114205 /nfs/dbraw/zinc/11/42/05/980114205.db2.gz ZHHUYXVHRDTUAF-UHFFFAOYSA-N 0 1 236.315 2.253 20 0 BEADMN C1=CCN(Cc2cccc(N3CCCCC3)n2)C1 ZINC001238001328 980119284 /nfs/dbraw/zinc/11/92/84/980119284.db2.gz UDAYIWRDMPDSBO-UHFFFAOYSA-N 0 1 243.354 2.444 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H]2C(C)C)[nH]c1C(=O)[O-] ZINC001607640186 980120227 /nfs/dbraw/zinc/12/02/27/980120227.db2.gz VUTYPTZWXMDRBU-NSHDSACASA-N 0 1 236.315 2.252 20 0 BEADMN C[C@@H]1CC[C@@H](CC(=O)NCc2cc(N)ccn2)C1 ZINC001331441176 980121235 /nfs/dbraw/zinc/12/12/35/980121235.db2.gz DNEUUEVMRQKJNL-GHMZBOCLSA-N 0 1 247.342 2.106 20 0 BEADMN Cc1c([C@@H](C)NCc2cccnc2C)cnn1C ZINC001343482643 980124445 /nfs/dbraw/zinc/12/44/45/980124445.db2.gz GJCDWQPIUVWAKM-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cccc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)[nH+]1 ZINC001607858185 980133839 /nfs/dbraw/zinc/13/38/39/980133839.db2.gz LGDTUGPMYAWJHA-MNOVXSKESA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cn(C[C@H]2CCCC[C@H]2C(=O)[O-])c(C)[nH+]1 ZINC001607900790 980136809 /nfs/dbraw/zinc/13/68/09/980136809.db2.gz VNOABXZHJBAKKA-VXGBXAGGSA-N 0 1 236.315 2.391 20 0 BEADMN [O-]c1cc(F)c(CC[NH+]2CCCC2)cc1F ZINC001250166967 980140654 /nfs/dbraw/zinc/14/06/54/980140654.db2.gz XHZLLROCJBXZAI-UHFFFAOYSA-N 0 1 227.254 2.309 20 0 BEADMN C[N@H+]1CCC[C@@](C)(NC(=O)CC2(C)CCC2)C1 ZINC001185109463 980176487 /nfs/dbraw/zinc/17/64/87/980176487.db2.gz QVDHFUNZWVBOCU-CQSZACIVSA-N 0 1 238.375 2.167 20 0 BEADMN CN(Cc1c(N)ccnc1F)CC1CCC1 ZINC001238153009 980177811 /nfs/dbraw/zinc/17/78/11/980177811.db2.gz GJNVCTQRCQTEMN-UHFFFAOYSA-N 0 1 223.295 2.035 20 0 BEADMN C[C@H]1CCCN(Cc2c(N)ccnc2F)CC1 ZINC001238151214 980178146 /nfs/dbraw/zinc/17/81/46/980178146.db2.gz ZJLIXJXVAYLSSN-JTQLQIEISA-N 0 1 237.322 2.425 20 0 BEADMN Cc1ncncc1CN1CCC[C@H](C(F)F)C1 ZINC001238171472 980201247 /nfs/dbraw/zinc/20/12/47/980201247.db2.gz WRIPWDQMLNZHKK-JTQLQIEISA-N 0 1 241.285 2.262 20 0 BEADMN O=C([O-])[C@H]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC001608619719 980249609 /nfs/dbraw/zinc/24/96/09/980249609.db2.gz VUHMZFGOVOMASC-UWVGGRQHSA-N 0 1 234.299 2.188 20 0 BEADMN COc1c(CN(C)C)ccc(F)c1F ZINC001238473481 980276307 /nfs/dbraw/zinc/27/63/07/980276307.db2.gz HYWOZNKTKGSNKY-UHFFFAOYSA-N 0 1 201.216 2.035 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCOC2)cnc1C1CC1 ZINC001238618813 980301094 /nfs/dbraw/zinc/30/10/94/980301094.db2.gz VKCGVDMXFQTHOV-AWEZNQCLSA-N 0 1 246.354 2.488 20 0 BEADMN Cc1c(C(=O)NCC[C@H](C)F)ccc2cncn21 ZINC001344012634 980313357 /nfs/dbraw/zinc/31/33/57/980313357.db2.gz ONBNMJZDHINZDB-VIFPVBQESA-N 0 1 249.289 2.121 20 0 BEADMN Cc1c(C(=O)N2C[C@@H](C)[C@H]2C)ccc2cncn21 ZINC001344015830 980313877 /nfs/dbraw/zinc/31/38/77/980313877.db2.gz GHMAHQCNIKEBKZ-NXEZZACHSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@](F)(C(=O)[O-])C1)C(C)(C)C ZINC000901519698 980337524 /nfs/dbraw/zinc/33/75/24/980337524.db2.gz RFHJUOWXDKUAAO-JOYOIKCWSA-N 0 1 231.311 2.167 20 0 BEADMN FC(F)n1cc(-c2nccc3[nH]cnc32)cn1 ZINC001238859145 980349561 /nfs/dbraw/zinc/34/95/61/980349561.db2.gz UNWPDQCWMUPJPQ-UHFFFAOYSA-N 0 1 235.197 2.217 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC001344161080 980355656 /nfs/dbraw/zinc/35/56/56/980355656.db2.gz TYJMFGVYYFAACM-VHSXEESVSA-N 0 1 249.314 2.328 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CC2CCC1CC2)C1CC1 ZINC000691662761 980378891 /nfs/dbraw/zinc/37/88/91/980378891.db2.gz QJPOVKGTQWDCCN-MCIGGMRASA-N 0 1 237.343 2.362 20 0 BEADMN CC(=O)c1ccc(NC(=O)c2[nH]cnc2C)cc1 ZINC000074672952 980382017 /nfs/dbraw/zinc/38/20/17/980382017.db2.gz ZPDNIEDUFNEZRZ-UHFFFAOYSA-N 0 1 243.266 2.173 20 0 BEADMN COc1cnc(F)cc1-c1nccc2c1CCN2 ZINC001239021949 980412001 /nfs/dbraw/zinc/41/20/01/980412001.db2.gz OTMLQBWMIKFRGA-UHFFFAOYSA-N 0 1 245.257 2.259 20 0 BEADMN c1oc2ccccc2c1-c1ncnc2c1CNC2 ZINC001239051837 980423995 /nfs/dbraw/zinc/42/39/95/980423995.db2.gz FKFOCUDTNADRSE-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN CC(C)(O)/C=C/c1cc(-n2ccnc2)ccn1 ZINC001239148124 980463627 /nfs/dbraw/zinc/46/36/27/980463627.db2.gz CDZTWZBUBSGSIK-HWKANZROSA-N 0 1 229.283 2.051 20 0 BEADMN CC(C)(O)C=Cc1ccc2nc[nH]c2c1 ZINC001239150842 980467538 /nfs/dbraw/zinc/46/75/38/980467538.db2.gz KGMGQZSUSZWEEM-AATRIKPKSA-N 0 1 202.257 2.347 20 0 BEADMN COc1cc2[nH]cnc2cc1C=CC(C)(C)O ZINC001239156546 980469168 /nfs/dbraw/zinc/46/91/68/980469168.db2.gz QQAGRNWMWSEQEG-SNAWJCMRSA-N 0 1 232.283 2.356 20 0 BEADMN CC(C)(O)C=Cc1cc2nc[nH]c2cc1F ZINC001239160217 980473167 /nfs/dbraw/zinc/47/31/67/980473167.db2.gz SGJBZTXKLFONGO-ONEGZZNKSA-N 0 1 220.247 2.486 20 0 BEADMN S=c1nc2[nH]cnc(-c3cnoc3)c-2s1 ZINC001239171248 980482448 /nfs/dbraw/zinc/48/24/48/980482448.db2.gz GTYSHTKXJGWMLC-UHFFFAOYSA-N 0 1 236.281 2.030 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@H](C)C1CCC1 ZINC001344953717 980506915 /nfs/dbraw/zinc/50/69/15/980506915.db2.gz VCQYOIXMJPFXAD-QMMMGPOBSA-N 0 1 222.288 2.311 20 0 BEADMN Cc1ccccc1-c1cc(C(=O)N(C)C)n[nH]1 ZINC001187963037 980571825 /nfs/dbraw/zinc/57/18/25/980571825.db2.gz CUFTVDZTAREQKN-UHFFFAOYSA-N 0 1 229.283 2.087 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(C(C)C)n1 ZINC001188050607 980578776 /nfs/dbraw/zinc/57/87/76/980578776.db2.gz VKCOBDULVRRYNB-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1cccnc1C ZINC001345624847 980650070 /nfs/dbraw/zinc/65/00/70/980650070.db2.gz BJZDDAYNVXROAU-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN Fc1ccc(SCc2nnc[nH]2)c(F)c1 ZINC001188501133 980656815 /nfs/dbraw/zinc/65/68/15/980656815.db2.gz RATQOCGBNWBQIH-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN Cc1ccccc1-c1nc(F)nc2nc[nH]c21 ZINC001239500334 980662363 /nfs/dbraw/zinc/66/23/63/980662363.db2.gz SLLKKDAXUFRNRE-UHFFFAOYSA-N 0 1 228.230 2.419 20 0 BEADMN CC(=O)Nc1ccc(SCc2nnc[nH]2)cc1 ZINC001188531526 980665245 /nfs/dbraw/zinc/66/52/45/980665245.db2.gz VEWDHTWUJOXABY-UHFFFAOYSA-N 0 1 248.311 2.055 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)[C@@H]1CC12CC2 ZINC001345953291 980716125 /nfs/dbraw/zinc/71/61/25/980716125.db2.gz CKRCPAXPQOKLSL-BDAKNGLRSA-N 0 1 220.272 2.064 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@]12C[C@H]1CCC2 ZINC001346000731 980726681 /nfs/dbraw/zinc/72/66/81/980726681.db2.gz NRQIZWGUIWPEMJ-SKDRFNHKSA-N 0 1 220.272 2.065 20 0 BEADMN COc1nc(-c2ccccc2F)nc2nc[nH]c21 ZINC001239552376 980731581 /nfs/dbraw/zinc/73/15/81/980731581.db2.gz RBTJUSNAQMGXMN-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)c1ccncc1 ZINC001346022691 980732305 /nfs/dbraw/zinc/73/23/05/980732305.db2.gz HAAQMDBJWUMOEC-VIFPVBQESA-N 0 1 231.255 2.031 20 0 BEADMN CCOc1ccc(-c2ncc3c(n2)CNC3)cc1 ZINC001239562222 980744160 /nfs/dbraw/zinc/74/41/60/980744160.db2.gz IKWVWMCNAIGNEX-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN COC(=O)C[C@@H]1CCCN(Cc2ccco2)C1 ZINC001203283670 980770352 /nfs/dbraw/zinc/77/03/52/980770352.db2.gz LRYHTYSDZKCBSH-NSHDSACASA-N 0 1 237.299 2.055 20 0 BEADMN NCc1ncc(/C=C/c2ccccc2)cn1 ZINC001239593700 980789465 /nfs/dbraw/zinc/78/94/65/980789465.db2.gz HTJSWDQNBNIYEJ-VOTSOKGWSA-N 0 1 211.268 2.106 20 0 BEADMN CN(Cc1cc[nH]c1)Cc1ccccn1 ZINC000273394774 980828591 /nfs/dbraw/zinc/82/85/91/980828591.db2.gz KPJNFGMROYGTFJ-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000085036592 980871844 /nfs/dbraw/zinc/87/18/44/980871844.db2.gz WHKCUVHPBNQLMV-QJPTWQEYSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cccc(CN(C)CC2=NOCC2)c1 ZINC001190436863 980873708 /nfs/dbraw/zinc/87/37/08/980873708.db2.gz NAVHUTGFSUZDJE-UHFFFAOYSA-N 0 1 218.300 2.203 20 0 BEADMN CCC1(CC)C[N@H+]([C@@H](C)C(=O)[O-])CCS1 ZINC001595375269 980893787 /nfs/dbraw/zinc/89/37/87/980893787.db2.gz BUGFQLQQWDIUPY-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN Cc1cc(N(C)C)ncc1CCOC(C)C ZINC001250410902 980951581 /nfs/dbraw/zinc/95/15/81/980951581.db2.gz GCMZFPFBJISXSA-UHFFFAOYSA-N 0 1 222.332 2.424 20 0 BEADMN c1ccc2c(c1)nccc2-c1ncc2c(n1)CNC2 ZINC001239849232 980989597 /nfs/dbraw/zinc/98/95/97/980989597.db2.gz WGJVWJQHLQEZOM-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN COc1ncccc1-c1ccc2nn[nH]c2c1 ZINC001239855838 980993550 /nfs/dbraw/zinc/99/35/50/980993550.db2.gz MHDOHJWNBIQUTQ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1ccc2[nH]nnc2c1 ZINC001239855838 980993552 /nfs/dbraw/zinc/99/35/52/980993552.db2.gz MHDOHJWNBIQUTQ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1nccc2[nH]cnc21 ZINC001239854712 980994535 /nfs/dbraw/zinc/99/45/35/980994535.db2.gz SMGHIVQAWIIGAZ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC1=CCCN(Cc2cccnc2N(C)C)C1 ZINC001347180180 981003693 /nfs/dbraw/zinc/00/36/93/981003693.db2.gz SDOQJKVNAIOZEU-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN c1nnc(CSCCOc2ccccc2)[nH]1 ZINC001347195381 981008902 /nfs/dbraw/zinc/00/89/02/981008902.db2.gz ZNOQZWWEWBLAOK-UHFFFAOYSA-N 0 1 235.312 2.117 20 0 BEADMN NC(=O)c1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001239870807 981013239 /nfs/dbraw/zinc/01/32/39/981013239.db2.gz ZXOCVFVHJBRFCO-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN NC(=O)c1cccc(-c2ccc3cncn3c2)c1 ZINC001239884099 981016972 /nfs/dbraw/zinc/01/69/72/981016972.db2.gz HXAQWDBJPFUWTP-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN NC(=O)c1cccc(-c2cccc3nc[nH]c32)c1 ZINC001239882750 981017711 /nfs/dbraw/zinc/01/77/11/981017711.db2.gz LHHZRAMZBLCPDM-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN CSCCc1nc2ccc(NC(C)=O)cc2[nH]1 ZINC001250426521 981062982 /nfs/dbraw/zinc/06/29/82/981062982.db2.gz IBYMSVRYQYPUKX-UHFFFAOYSA-N 0 1 249.339 2.427 20 0 BEADMN Oc1c(F)cc(F)c(-c2ncccn2)c1F ZINC001250444038 981124504 /nfs/dbraw/zinc/12/45/04/981124504.db2.gz PMMQQFZJYHCLGI-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN CCCn1cc(-c2cc3nc[nH]c3cn2)cn1 ZINC001240130896 981131865 /nfs/dbraw/zinc/13/18/65/981131865.db2.gz XFJSVQIKGWVQJR-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN Cc1nn(C)c(C)c1-c1ccc(CN(C)C)cn1 ZINC001240140165 981140695 /nfs/dbraw/zinc/14/06/95/981140695.db2.gz ABWFLLYIUOYEBP-UHFFFAOYSA-N 0 1 244.342 2.161 20 0 BEADMN CON(C(=O)c1cccc2[nH]c(C)nc21)C(C)C ZINC001347687815 981144376 /nfs/dbraw/zinc/14/43/76/981144376.db2.gz DVIUJZAECIIDKT-UHFFFAOYSA-N 0 1 247.298 2.283 20 0 BEADMN Fc1cnc(-c2cc3ccc[nH]c-3n2)nc1 ZINC001250477382 981170545 /nfs/dbraw/zinc/17/05/45/981170545.db2.gz LDJIYQXNZUUUQD-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN O=C(Nc1ccc[nH]1)c1ccc(O)c(F)c1F ZINC001192831128 981192955 /nfs/dbraw/zinc/19/29/55/981192955.db2.gz BBWYQKXABIAWEN-UHFFFAOYSA-N 0 1 238.193 2.251 20 0 BEADMN COc1cc2[nH]c(-c3cnn(C)c3)nc2cc1C ZINC001250501257 981270051 /nfs/dbraw/zinc/27/00/51/981270051.db2.gz BYLVWVJUOFYRGT-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN CCC(CC)CNC(=O)c1[nH]nc2ccncc21 ZINC001152087374 981271056 /nfs/dbraw/zinc/27/10/56/981271056.db2.gz QMFOTPHCCFBTBG-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN Cc1[nH]nc(CNC(=O)CCC2CCC2)c1C ZINC001348119526 981286479 /nfs/dbraw/zinc/28/64/79/981286479.db2.gz CBWMIRQXBKEGIU-UHFFFAOYSA-N 0 1 235.331 2.223 20 0 BEADMN c1nnc([N-]c2ccc(C[NH+]3CCCC3)cc2)o1 ZINC001203774189 981290037 /nfs/dbraw/zinc/29/00/37/981290037.db2.gz ZPDZDBJMAIGCMP-UHFFFAOYSA-N 0 1 244.298 2.409 20 0 BEADMN CCN(Cc1ccnc(F)c1)[C@@H]1CCCOC1 ZINC001348179540 981304228 /nfs/dbraw/zinc/30/42/28/981304228.db2.gz CBHQSZZWFRWOTM-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN NCc1nccnc1NC[C@@H]1CC2CCC1CC2 ZINC001348225404 981312228 /nfs/dbraw/zinc/31/22/28/981312228.db2.gz QOLTWVKOLJMKSD-MCIGGMRASA-N 0 1 246.358 2.174 20 0 BEADMN C/C=C\C[C@@H]1CCCN(c2nccnc2CN)C1 ZINC001348271448 981323691 /nfs/dbraw/zinc/32/36/91/981323691.db2.gz RSWYTMBLSZLKSR-ZZKXABKFSA-N 0 1 246.358 2.118 20 0 BEADMN Cc1nc(-c2cncnc2)cc2[nH]ccc21 ZINC001240374828 981324548 /nfs/dbraw/zinc/32/45/48/981324548.db2.gz XMXYMLNFEIGCJD-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cc2cc(-c3cc4[nH]cnc4cn3)cnc2[nH]1 ZINC001240389782 981347616 /nfs/dbraw/zinc/34/76/16/981347616.db2.gz VNBQULVTYGCHTO-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN Cc1cc(-c2ncnc3c2CNC3)c(C)s1 ZINC001240427035 981376560 /nfs/dbraw/zinc/37/65/60/981376560.db2.gz IFFAQZBTUQWSHY-UHFFFAOYSA-N 0 1 231.324 2.425 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H](CC)[C@H]2C)n1 ZINC001193608328 981384363 /nfs/dbraw/zinc/38/43/63/981384363.db2.gz XKGTYOLKPVNFHB-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H](CC)[C@H]2C)n1 ZINC001193608328 981384368 /nfs/dbraw/zinc/38/43/68/981384368.db2.gz XKGTYOLKPVNFHB-GHMZBOCLSA-N 0 1 249.358 2.365 20 0 BEADMN c1nc2cc(-c3cnn(CC4CC4)c3)ncc2[nH]1 ZINC001240510404 981436230 /nfs/dbraw/zinc/43/62/30/981436230.db2.gz JMXMPTGDZOONKE-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN CCN1CCN(C(=O)OCC(C)C)C(C)(C)C1 ZINC001193832365 981467002 /nfs/dbraw/zinc/46/70/02/981467002.db2.gz GNKPVFKHTLQMMU-UHFFFAOYSA-N 0 1 242.363 2.195 20 0 BEADMN Cc1cnccc1-c1nccc2[nH]cnc21 ZINC001240605292 981494248 /nfs/dbraw/zinc/49/42/48/981494248.db2.gz FKBGYYBGVOXSAA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cnccc1-c1[nH]ccc2ncnc1-2 ZINC001240605292 981494251 /nfs/dbraw/zinc/49/42/51/981494251.db2.gz FKBGYYBGVOXSAA-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2CCC[C@@H]2C)c1C ZINC001349149207 981512250 /nfs/dbraw/zinc/51/22/50/981512250.db2.gz VSSDMQXPLZMWST-JOYOIKCWSA-N 0 1 249.358 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CCC2(C)C)c1C ZINC001349148227 981512894 /nfs/dbraw/zinc/51/28/94/981512894.db2.gz PMEWOOGSAJCUOQ-JTQLQIEISA-N 0 1 235.331 2.079 20 0 BEADMN COCC(C)=CC(=O)Nc1nc2ccccc2[nH]1 ZINC001349296374 981527924 /nfs/dbraw/zinc/52/79/24/981527924.db2.gz RXUQEWGOLIJDEL-CLFYSBASSA-N 0 1 245.282 2.094 20 0 BEADMN Nc1ccnc(-c2cnn([C@H]3CCCCO3)c2)c1 ZINC001240668570 981578700 /nfs/dbraw/zinc/57/87/00/981578700.db2.gz ATNABRQKQHRHNT-CYBMUJFWSA-N 0 1 244.298 2.226 20 0 BEADMN c1nc2cc(-c3cnc(C4CC4)nc3)ncc2[nH]1 ZINC001240681321 981584895 /nfs/dbraw/zinc/58/48/95/981584895.db2.gz GKXPBPYIWHBZRQ-UHFFFAOYSA-N 0 1 237.266 2.292 20 0 BEADMN CCCCCCOC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001194195576 981597315 /nfs/dbraw/zinc/59/73/15/981597315.db2.gz PWBDUBGYBMZIDK-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN CCCCCCOC(=O)N[C@@H]1CCCN(C)C1 ZINC001194195576 981597324 /nfs/dbraw/zinc/59/73/24/981597324.db2.gz PWBDUBGYBMZIDK-GFCCVEGCSA-N 0 1 242.363 2.387 20 0 BEADMN [NH3+]Cc1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240694362 981599053 /nfs/dbraw/zinc/59/90/53/981599053.db2.gz QFYLBDSWDLPSFH-UHFFFAOYSA-N 0 1 218.231 2.052 20 0 BEADMN COC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)(C)C)CCO1 ZINC001349648866 981607058 /nfs/dbraw/zinc/60/70/58/981607058.db2.gz PHVANUCAJOWKRU-STQMWFEESA-N 0 1 243.391 2.406 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC[C@H](F)C2)[nH]1 ZINC001349644618 981607318 /nfs/dbraw/zinc/60/73/18/981607318.db2.gz OWWIDIYMUGLZHJ-VIFPVBQESA-N 0 1 239.294 2.107 20 0 BEADMN c1cnc([C@@H]2CCCN2CC[C@@H]2CCOC2)nc1 ZINC001349672864 981625526 /nfs/dbraw/zinc/62/55/26/981625526.db2.gz IHIYTVJVLXRRCU-OLZOCXBDSA-N 0 1 247.342 2.040 20 0 BEADMN c1cnc([C@H]2CCCN2CC[C@H]2CCOC2)nc1 ZINC001349672865 981629761 /nfs/dbraw/zinc/62/97/61/981629761.db2.gz IHIYTVJVLXRRCU-QWHCGFSZSA-N 0 1 247.342 2.040 20 0 BEADMN Cc1c(F)cccc1-c1ncnc2c1CNC2 ZINC001240727011 981769064 /nfs/dbraw/zinc/76/90/64/981769064.db2.gz FWMIVBGMUBAJCL-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN Cc1ccc(OC(=O)N2CCCN(C)CC2)cc1 ZINC001194420562 981807179 /nfs/dbraw/zinc/80/71/79/981807179.db2.gz LMRZABUSLCEEBX-UHFFFAOYSA-N 0 1 248.326 2.131 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1Cc2ccncc2C1 ZINC001595630242 981816923 /nfs/dbraw/zinc/81/69/23/981816923.db2.gz ZJNBRZWQKZIWBX-GFCCVEGCSA-N 0 1 234.299 2.041 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001588597655 981854507 /nfs/dbraw/zinc/85/45/07/981854507.db2.gz XWIBYINAGHDCIC-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CCCCCC[C@@H](C)C(=O)OCc1nnc[nH]1 ZINC001350049836 981854956 /nfs/dbraw/zinc/85/49/56/981854956.db2.gz GDKMFZYUCAIJMU-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN c1c(CN[C@@H]2C=CCCC2)nn2c1CCC2 ZINC001350130666 981880064 /nfs/dbraw/zinc/88/00/64/981880064.db2.gz PUEDDGKXDDXDFI-LLVKDONJSA-N 0 1 217.316 2.028 20 0 BEADMN CC[C@@H](C)COC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001194776027 981902705 /nfs/dbraw/zinc/90/27/05/981902705.db2.gz RSFDOZBNOLNXBP-GRYCIOLGSA-N 0 1 242.363 2.194 20 0 BEADMN CC(C)[C@H](NCc1nnc[nH]1)c1ccc(F)cc1 ZINC001350364920 981942784 /nfs/dbraw/zinc/94/27/84/981942784.db2.gz OIJDQJUOPNVFQW-ZDUSSCGKSA-N 0 1 248.305 2.431 20 0 BEADMN Cc1cnc(CSCc2nnc[nH]2)s1 ZINC001350500380 981987018 /nfs/dbraw/zinc/98/70/18/981987018.db2.gz NEZCLAQMFSRYQS-UHFFFAOYSA-N 0 1 226.330 2.003 20 0 BEADMN CC(C)c1ocnc1CSCc1nnc[nH]1 ZINC001350499160 981988467 /nfs/dbraw/zinc/98/84/67/981988467.db2.gz CZYCDDBWMJDJJR-UHFFFAOYSA-N 0 1 238.316 2.350 20 0 BEADMN Oc1cccc(-c2cccc3[nH]nnc32)c1 ZINC001240926178 981997449 /nfs/dbraw/zinc/99/74/49/981997449.db2.gz SKFYCVBULPYFPA-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN FC1(F)[C@@H]2C[C@@H](CSCc3nnc[nH]3)C[C@@H]21 ZINC001350623819 982031485 /nfs/dbraw/zinc/03/14/85/982031485.db2.gz RZCCXQPJQYNNOK-WHUPJOBBSA-N 0 1 245.298 2.329 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC001195036685 982035193 /nfs/dbraw/zinc/03/51/93/982035193.db2.gz FDPVABVPQJGUPY-OLZOCXBDSA-N 0 1 245.326 2.220 20 0 BEADMN Cc1ccc(C)c(NC(=O)c2cnncc2O)c1 ZINC001587037070 982043657 /nfs/dbraw/zinc/04/36/57/982043657.db2.gz UUPPAYFLMSDCSL-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1cc(CCC(=O)N(C)[C@@H](C)C2(C)CC2)n[nH]1 ZINC001587624819 982083438 /nfs/dbraw/zinc/08/34/38/982083438.db2.gz HCAPWUFIAARVIK-NSHDSACASA-N 0 1 249.358 2.298 20 0 BEADMN COc1cc(C)nc(-c2ccc(C)cc2O)n1 ZINC001241030786 982128391 /nfs/dbraw/zinc/12/83/91/982128391.db2.gz SRKDCRZGAAYQSU-UHFFFAOYSA-N 0 1 230.267 2.475 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001594875565 982209532 /nfs/dbraw/zinc/20/95/32/982209532.db2.gz HHIDHMPJMMHEJR-XWLWVQCSSA-N 0 1 231.311 2.166 20 0 BEADMN Cc1nn(C)c(C)c1N[C@@H]1CCCc2cn[nH]c21 ZINC001351283445 982266453 /nfs/dbraw/zinc/26/64/53/982266453.db2.gz KEVHLRWJKCGIKU-LLVKDONJSA-N 0 1 245.330 2.250 20 0 BEADMN OCc1ccc(F)c(-c2cc3nc[nH]c3cn2)c1 ZINC001241148563 982278318 /nfs/dbraw/zinc/27/83/18/982278318.db2.gz SUUDPHHFJXZMCT-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1c(N)ccnc1-c1cc(CO)ccc1F ZINC001241148278 982279585 /nfs/dbraw/zinc/27/95/85/982279585.db2.gz LGETUMQOMNOSDU-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN Nc1cc(-c2cc(N3CCCC3)ccn2)ccn1 ZINC001241156886 982296690 /nfs/dbraw/zinc/29/66/90/982296690.db2.gz IJKKPBVNAHTAAG-UHFFFAOYSA-N 0 1 240.310 2.326 20 0 BEADMN Cc1cn(C)nc1CN1CCSCC[C@H]1C ZINC001351399986 982308806 /nfs/dbraw/zinc/30/88/06/982308806.db2.gz OWCCCJGLCQRBME-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN CC(F)(F)CCCN1CCn2cncc2C1 ZINC001351441465 982316965 /nfs/dbraw/zinc/31/69/65/982316965.db2.gz NFZVXQGGIYCCLT-UHFFFAOYSA-N 0 1 229.274 2.134 20 0 BEADMN CCCCC[N@@H+](C)[C@@H](COC1CCC1)C(=O)[O-] ZINC001595716088 982319007 /nfs/dbraw/zinc/31/90/07/982319007.db2.gz PUEHOQCDSOJOPP-LBPRGKRZSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC001588596818 982333626 /nfs/dbraw/zinc/33/36/26/982333626.db2.gz GCSFMXYOIYCJHJ-ZWNOBZJWSA-N 0 1 237.274 2.030 20 0 BEADMN CN1CC=C(c2ccnc(C(F)(F)F)n2)CC1 ZINC001241307264 982443461 /nfs/dbraw/zinc/44/34/61/982443461.db2.gz AKTYUDAWGAPFEM-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1cc(Cl)ncc1O ZINC001196387524 982446116 /nfs/dbraw/zinc/44/61/16/982446116.db2.gz PAXGHJQTLRCRFB-SSDOTTSWSA-N 0 1 242.706 2.215 20 0 BEADMN CCCNc1nc(C2=CCN(C)CC2)ncc1C ZINC001241308445 982449600 /nfs/dbraw/zinc/44/96/00/982449600.db2.gz RWWBBTQHYIPICV-UHFFFAOYSA-N 0 1 246.358 2.326 20 0 BEADMN CN1CC=C(c2ccc(OC(C)(C)C)nn2)CC1 ZINC001241308038 982450238 /nfs/dbraw/zinc/45/02/38/982450238.db2.gz OMSLJGUEEDQRLF-UHFFFAOYSA-N 0 1 247.342 2.373 20 0 BEADMN CCCc1cncnc1C1=CCN(C)CC1 ZINC001241308666 982452555 /nfs/dbraw/zinc/45/25/55/982452555.db2.gz MSYKTFJAXQSUGB-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CC(=O)OC[C@H](C)N[C@H](C)c1cnc(C)s1 ZINC001352078049 982457933 /nfs/dbraw/zinc/45/79/33/982457933.db2.gz KBSMARGCYFZHIH-JGVFFNPUSA-N 0 1 242.344 2.054 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@@H](C)c1cnc(C)s1 ZINC001352078050 982458141 /nfs/dbraw/zinc/45/81/41/982458141.db2.gz KBSMARGCYFZHIH-SFYZADRCSA-N 0 1 242.344 2.054 20 0 BEADMN Cc1c(F)ccnc1C1=CCN(C)CC1 ZINC001241310819 982458648 /nfs/dbraw/zinc/45/86/48/982458648.db2.gz MFTSRONRMLRVEH-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CC=C(c2cccc3c2OCO3)CC1 ZINC001241316779 982468579 /nfs/dbraw/zinc/46/85/79/982468579.db2.gz DEVJQQHUVGDFKY-UHFFFAOYSA-N 0 1 217.268 2.134 20 0 BEADMN COc1ncc(C)cc1C1=CCN(C)CC1 ZINC001241327112 982489750 /nfs/dbraw/zinc/48/97/50/982489750.db2.gz GMIXBCVTQQHQHO-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CC1(CN2CCCC[C@@H]2c2ncccn2)COC1 ZINC001197451379 982571893 /nfs/dbraw/zinc/57/18/93/982571893.db2.gz VOJMJCHQIDEENE-GFCCVEGCSA-N 0 1 247.342 2.040 20 0 BEADMN CC[N@@H+](CCn1cccn1)Cc1ncccc1C ZINC001205807944 982577409 /nfs/dbraw/zinc/57/74/09/982577409.db2.gz YKCFUDIUMWNCGT-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN CCN(CCn1cccn1)Cc1ncccc1C ZINC001205807944 982577413 /nfs/dbraw/zinc/57/74/13/982577413.db2.gz YKCFUDIUMWNCGT-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN c1ncn2cccc(-c3cnc4n[nH]cc4c3)c12 ZINC001241426486 982579696 /nfs/dbraw/zinc/57/96/96/982579696.db2.gz DOUHVLCCSJBCPW-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001589198814 982662489 /nfs/dbraw/zinc/66/24/89/982662489.db2.gz BAWQLOUNAURUTP-CQSZACIVSA-N 0 1 248.326 2.120 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001589196942 982664211 /nfs/dbraw/zinc/66/42/11/982664211.db2.gz NDYQCMNEQHEDDL-ZDUSSCGKSA-N 0 1 237.343 2.363 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[Si](C)(C)C ZINC001589308576 982716151 /nfs/dbraw/zinc/71/61/51/982716151.db2.gz VPDMMHUQRFBGPP-UWVGGRQHSA-N 0 1 229.396 2.049 20 0 BEADMN C[C@H]1CCc2c(C(=O)NC(C)(C)C3CC3)[nH]nc21 ZINC001198450881 982724330 /nfs/dbraw/zinc/72/43/30/982724330.db2.gz PZGJEJBEINPXCZ-QMMMGPOBSA-N 0 1 247.342 2.378 20 0 BEADMN CCC[C@H](C)C(=O)NC[C@@H](C)N(CC)CCF ZINC001152460552 982748972 /nfs/dbraw/zinc/74/89/72/982748972.db2.gz SEEUQUYCNKRKHZ-NWDGAFQWSA-N 0 1 246.370 2.219 20 0 BEADMN CCOc1ncc(-c2ccc3nc[nH]c3c2)cn1 ZINC001241551254 982769580 /nfs/dbraw/zinc/76/95/80/982769580.db2.gz DNFQIKSCYFMVSV-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ncc(-c2ccc3cncn3c2)cn1 ZINC001241551521 982770534 /nfs/dbraw/zinc/77/05/34/982770534.db2.gz HICSAIVTMOMCBL-UHFFFAOYSA-N 0 1 240.266 2.190 20 0 BEADMN CC(C)(C)/C=C/c1ncnc2c1CCNC2 ZINC001241560759 982791727 /nfs/dbraw/zinc/79/17/27/982791727.db2.gz HCODPNOMFZTPGS-GQCTYLIASA-N 0 1 217.316 2.182 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC001589445513 982799101 /nfs/dbraw/zinc/79/91/01/982799101.db2.gz QWRWOGUVGQNQKK-OLZOCXBDSA-N 0 1 248.326 2.124 20 0 BEADMN CC(C)c1cncnc1C1=CCCN(C)C1 ZINC001241566231 982808486 /nfs/dbraw/zinc/80/84/86/982808486.db2.gz VVJCNRVFVRZHMG-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CCC=C(c2ncc3ccsc3n2)C1 ZINC001241566361 982809632 /nfs/dbraw/zinc/80/96/32/982809632.db2.gz XZJZNHDVOLZDRH-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN COc1ccc(C)nc1C1=CCCN(C)C1 ZINC001241565995 982810756 /nfs/dbraw/zinc/81/07/56/982810756.db2.gz RLQGXVLBHOTQEV-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN Cc1cnc2c(ccnc2C2=CCCN(C)C2)n1 ZINC001241568610 982813030 /nfs/dbraw/zinc/81/30/30/982813030.db2.gz USWQXAABAVXZIR-UHFFFAOYSA-N 0 1 240.310 2.052 20 0 BEADMN Cc1cc(F)ncc1C1=CCCN(C)C1 ZINC001241568198 982813538 /nfs/dbraw/zinc/81/35/38/982813538.db2.gz DHDAGDVMVRVKIP-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2cc(C(C)(C)C)ncn2)C1 ZINC001241568120 982813898 /nfs/dbraw/zinc/81/38/98/982813898.db2.gz OSVAUYGYGVGVSD-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CN1CCC=C(c2cc3c(cc2F)CC(=O)N3)C1 ZINC001241570621 982822282 /nfs/dbraw/zinc/82/22/82/982822282.db2.gz MPCVRTOWELJMLH-UHFFFAOYSA-N 0 1 246.285 2.039 20 0 BEADMN COc1ccc(-c2cc(N)c(C)cn2)c(OC)n1 ZINC001241574141 982825728 /nfs/dbraw/zinc/82/57/28/982825728.db2.gz AQLJPZCXQLKPHQ-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN O=C(Nc1cccnc1)c1cccc(F)c1O ZINC001353308519 982829933 /nfs/dbraw/zinc/82/99/33/982829933.db2.gz HTOMOERIGXKOJC-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN CSc1ncc(-c2nccc(N)c2C)cn1 ZINC001241624567 982861357 /nfs/dbraw/zinc/86/13/57/982861357.db2.gz HJJCSEDVWJQPSG-UHFFFAOYSA-N 0 1 232.312 2.151 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC12CCC(CC1)C2 ZINC000847716888 982871541 /nfs/dbraw/zinc/87/15/41/982871541.db2.gz RYUQKGNXLJGKNT-CDWSIMAYSA-N 0 1 247.342 2.037 20 0 BEADMN Cc1[nH]nc2cc(-c3cccnn3)ccc21 ZINC001241636674 982873491 /nfs/dbraw/zinc/87/34/91/982873491.db2.gz FJJMBCUJIJRION-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ncc(-c2ccc3c(c2)n[nH]c3C)cn1 ZINC001241639616 982876398 /nfs/dbraw/zinc/87/63/98/982876398.db2.gz NNAZIUVTTKHXGW-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1[nH]nc2cc(-c3nnc(C)c(C)n3)ccc21 ZINC001241639591 982877380 /nfs/dbraw/zinc/87/73/80/982877380.db2.gz MGYVSKJPPZVRPL-UHFFFAOYSA-N 0 1 239.282 2.340 20 0 BEADMN Cc1nc(N)ncc1-c1cc2nc[nH]c2cc1F ZINC001241648284 982891352 /nfs/dbraw/zinc/89/13/52/982891352.db2.gz LRHYSTOYYWDUIM-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN COc1cncc(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241666389 982899521 /nfs/dbraw/zinc/89/95/21/982899521.db2.gz XCPKHHZNNPTWKG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ccc(C)c(-c2cc3c(nn2)CNC3)c1 ZINC001241666749 982899838 /nfs/dbraw/zinc/89/98/38/982899838.db2.gz MXRWAVXRNOWSQT-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN Cc1[nH]nc2ccc(-c3cccnn3)cc21 ZINC001241666304 982899848 /nfs/dbraw/zinc/89/98/48/982899848.db2.gz VOAHEPQWVNVSCI-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN NCc1ncc(-c2ccc3ccncc3c2)cn1 ZINC001241676652 982927946 /nfs/dbraw/zinc/92/79/46/982927946.db2.gz OUALMSGSPXZBEN-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN COc1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001241681664 982935247 /nfs/dbraw/zinc/93/52/47/982935247.db2.gz YGWCSEUKURBQJV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Nc1cncc(-c2ccc3nc[nH]c3c2)c1 ZINC001241696837 982951984 /nfs/dbraw/zinc/95/19/84/982951984.db2.gz NOMZMEROFKWWAS-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CCCn1nc(C)cc1-c1cc(N)ccn1 ZINC001241761829 983035747 /nfs/dbraw/zinc/03/57/47/983035747.db2.gz UKUUJXKQONINBP-UHFFFAOYSA-N 0 1 216.288 2.246 20 0 BEADMN COc1cc(C)c(-c2cccc3[nH]nnc32)cn1 ZINC001241765937 983040790 /nfs/dbraw/zinc/04/07/90/983040790.db2.gz HANMWVOOEKORNC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN OCc1cc(-c2ccc3[nH]nnc3c2)ccc1F ZINC001241789291 983049614 /nfs/dbraw/zinc/04/96/14/983049614.db2.gz HHYPMZUGHXJVFT-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cc(-c2ccc3nn[nH]c3c2)ccc1F ZINC001241789291 983049622 /nfs/dbraw/zinc/04/96/22/983049622.db2.gz HHYPMZUGHXJVFT-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC(C)(C)[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001353979502 983108216 /nfs/dbraw/zinc/10/82/16/983108216.db2.gz UNJIDYCCJAYIIT-CKYFFXLPSA-N 0 1 247.342 2.160 20 0 BEADMN c1nn(C2CC2)cc1-c1ccc2nn[nH]c2c1 ZINC001241905894 983119027 /nfs/dbraw/zinc/11/90/27/983119027.db2.gz AFIJPIPCQRZTLX-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN c1nn(C2CC2)cc1-c1ccc2[nH]nnc2c1 ZINC001241905894 983119032 /nfs/dbraw/zinc/11/90/32/983119032.db2.gz AFIJPIPCQRZTLX-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN c1nn(C2CC2)cc1-c1cccc2[nH]nnc21 ZINC001241909894 983123153 /nfs/dbraw/zinc/12/31/53/983123153.db2.gz UGIDMBRIZZFKAN-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN CSc1cncc(-c2ccc3nn[nH]c3c2)n1 ZINC001241939912 983144383 /nfs/dbraw/zinc/14/43/83/983144383.db2.gz PXZKHWIEBZGEIX-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN CSc1cc(-c2ccc3nn[nH]c3c2)ncn1 ZINC001241938468 983152435 /nfs/dbraw/zinc/15/24/35/983152435.db2.gz LIGCMCXMPJOAGF-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN CN(C)c1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241938515 983152539 /nfs/dbraw/zinc/15/25/39/983152539.db2.gz OJLKHJNUOSWGRJ-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1cnc(-c2ccc3[nH]nnc3c2)cc1C ZINC001241939578 983155259 /nfs/dbraw/zinc/15/52/59/983155259.db2.gz BNJNZHRVCJKNBZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnc(-c2ccc3nn[nH]c3c2)cc1C ZINC001241939578 983155265 /nfs/dbraw/zinc/15/52/65/983155265.db2.gz BNJNZHRVCJKNBZ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1ccnc(F)c1-c1ccc2nn[nH]c2c1 ZINC001241940339 983155426 /nfs/dbraw/zinc/15/54/26/983155426.db2.gz BVZBQYLDQSQBPO-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCCc1cc(-c2ccc3nn[nH]c3c2)ncn1 ZINC001241939878 983157243 /nfs/dbraw/zinc/15/72/43/983157243.db2.gz OKLLNFITBATFIQ-UHFFFAOYSA-N 0 1 239.282 2.367 20 0 BEADMN Cc1cc(-c2ccc3[nH]nnc3c2)cc(F)n1 ZINC001241941052 983157518 /nfs/dbraw/zinc/15/75/18/983157518.db2.gz BUNMLNRUTSWHKL-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(-c2ccc3nn[nH]c3c2)cc(F)n1 ZINC001241941052 983157523 /nfs/dbraw/zinc/15/75/23/983157523.db2.gz BUNMLNRUTSWHKL-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN c1cc(-c2ccc3[nH]nnc3c2)nc2c1COC2 ZINC001241940406 983157722 /nfs/dbraw/zinc/15/77/22/983157722.db2.gz KGKPYJAAJUQNNP-UHFFFAOYSA-N 0 1 238.250 2.050 20 0 BEADMN c1cc(-c2ccc3nn[nH]c3c2)nc2c1COC2 ZINC001241940406 983157730 /nfs/dbraw/zinc/15/77/30/983157730.db2.gz KGKPYJAAJUQNNP-UHFFFAOYSA-N 0 1 238.250 2.050 20 0 BEADMN COc1ccncc1-c1ccc2nn[nH]c2c1 ZINC001241942033 983159696 /nfs/dbraw/zinc/15/96/96/983159696.db2.gz MNSKHGBOBZTLOV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ccncc1-c1ccc2[nH]nnc2c1 ZINC001241942033 983159699 /nfs/dbraw/zinc/15/96/99/983159699.db2.gz MNSKHGBOBZTLOV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ncc(-c2ccc3[nH]nnc3c2)c(C)n1 ZINC001241942559 983161863 /nfs/dbraw/zinc/16/18/63/983161863.db2.gz WABOWKQGDLIHOL-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ncc(-c2ccc3nn[nH]c3c2)c(C)n1 ZINC001241942559 983161868 /nfs/dbraw/zinc/16/18/68/983161868.db2.gz WABOWKQGDLIHOL-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN COc1cnc(F)c(-c2ccc3nn[nH]c3c2)c1 ZINC001241942768 983162537 /nfs/dbraw/zinc/16/25/37/983162537.db2.gz VMECJALAIOJCPJ-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1ncc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001241942692 983162781 /nfs/dbraw/zinc/16/27/81/983162781.db2.gz ZFTLLPLMQYZEAQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ncc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001241942692 983162787 /nfs/dbraw/zinc/16/27/87/983162787.db2.gz ZFTLLPLMQYZEAQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccc(-c2ncnc3c2CNC3)c(F)c1F ZINC001242029139 983242512 /nfs/dbraw/zinc/24/25/12/983242512.db2.gz NQKRBVOOXOONLA-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCNC(=O)[C@H]1C ZINC001201489696 983257897 /nfs/dbraw/zinc/25/78/97/983257897.db2.gz FCSXDLQLOUXYTH-CHWSQXEVSA-N 0 1 238.375 2.189 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CC(NC(C)=O)C1 ZINC001201491243 983257910 /nfs/dbraw/zinc/25/79/10/983257910.db2.gz RAOWQAXTZVSCGG-GFCCVEGCSA-N 0 1 238.375 2.189 20 0 BEADMN COC(=O)CN(C)C[C@@H](C)CCC=C(C)C ZINC001201495779 983263989 /nfs/dbraw/zinc/26/39/89/983263989.db2.gz GSUCMUHCWPGTQF-LBPRGKRZSA-N 0 1 227.348 2.474 20 0 BEADMN CCn1cnc(Cl)c1CN[C@H](C)CSC ZINC001200622049 983266118 /nfs/dbraw/zinc/26/61/18/983266118.db2.gz MBIYFCRZUVOGOV-MRVPVSSYSA-N 0 1 247.795 2.398 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCN(C#N)CC1 ZINC001201499763 983266877 /nfs/dbraw/zinc/26/68/77/983266877.db2.gz PZDUKRNUDYMGPZ-CQSZACIVSA-N 0 1 235.375 2.468 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCN(C#N)CC1 ZINC001201499762 983268799 /nfs/dbraw/zinc/26/87/99/983268799.db2.gz PZDUKRNUDYMGPZ-AWEZNQCLSA-N 0 1 235.375 2.468 20 0 BEADMN COc1ccncc1-c1cccc2cncn21 ZINC001242058724 983269112 /nfs/dbraw/zinc/26/91/12/983269112.db2.gz ZUMQORXCNDYFDQ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CN(C)c1cccc(CNCc2ccsc2)n1 ZINC001201535931 983294483 /nfs/dbraw/zinc/29/44/83/983294483.db2.gz KJMYALFZMWIDGK-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN COC(=O)/C=C(\C)CN1CC(C)(C)C1(C)C ZINC001354437611 983306390 /nfs/dbraw/zinc/30/63/90/983306390.db2.gz KCIHDAPLUUTFCX-JXMROGBWSA-N 0 1 225.332 2.226 20 0 BEADMN CCC(CC)CN(C)Cc1ncccn1 ZINC001201521552 983319318 /nfs/dbraw/zinc/31/93/18/983319318.db2.gz UOAKXMQBNDVBKS-UHFFFAOYSA-N 0 1 207.321 2.345 20 0 BEADMN Cc1nc2c[nH]cc(C3=CCOCC3)c-2n1 ZINC001242077305 983324943 /nfs/dbraw/zinc/32/49/43/983324943.db2.gz PJAKLJQIBWIPJZ-UHFFFAOYSA-N 0 1 215.256 2.070 20 0 BEADMN Cc1nc2c(cncc2C2=CCOCC2)[nH]1 ZINC001242077305 983324946 /nfs/dbraw/zinc/32/49/46/983324946.db2.gz PJAKLJQIBWIPJZ-UHFFFAOYSA-N 0 1 215.256 2.070 20 0 BEADMN CCCC[C@H](CC)CN1CCO[C@@H](C(C)=O)C1 ZINC001201572384 983337066 /nfs/dbraw/zinc/33/70/66/983337066.db2.gz JLCJAGPNHVHDRV-UONOGXRCSA-N 0 1 241.375 2.493 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC001593723508 983347552 /nfs/dbraw/zinc/34/75/52/983347552.db2.gz CICPLAZLXYILFW-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CCN1CCN(c2ccc(F)cc2C)CC1 ZINC001201587336 983352076 /nfs/dbraw/zinc/35/20/76/983352076.db2.gz FVWUGOSCHZTQBE-UHFFFAOYSA-N 0 1 222.307 2.276 20 0 BEADMN Cc1ccccc1O[C@@H](C)CNCc1cc[nH]n1 ZINC001200772513 983354984 /nfs/dbraw/zinc/35/49/84/983354984.db2.gz BNTYNSUSVYBVPO-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN COC(=O)[C@H](C(C)C)N(C)CCc1ccccc1 ZINC001201606107 983371925 /nfs/dbraw/zinc/37/19/25/983371925.db2.gz IUBISEABJUSRIF-AWEZNQCLSA-N 0 1 249.354 2.359 20 0 BEADMN Cc1ccc2nc(N)n(-c3cncc(O)c3)c2c1 ZINC001201628918 983385144 /nfs/dbraw/zinc/38/51/44/983385144.db2.gz YEVFQDKSHQNDAY-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)cc1O ZINC001242174472 983392576 /nfs/dbraw/zinc/39/25/76/983392576.db2.gz NOKXKLTVXYHCLR-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)cc1O ZINC001242174472 983392578 /nfs/dbraw/zinc/39/25/78/983392578.db2.gz NOKXKLTVXYHCLR-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCCN1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001201646021 983397467 /nfs/dbraw/zinc/39/74/67/983397467.db2.gz OFUOMYLZVSVDHA-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN CO[C@@H]1CN(CCCc2ccccc2)C[C@@H]1F ZINC001201652671 983406049 /nfs/dbraw/zinc/40/60/49/983406049.db2.gz BHEPICFKHZIOST-UONOGXRCSA-N 0 1 237.318 2.288 20 0 BEADMN Nc1cccc(-c2ccc(F)cc2O)n1 ZINC001242216137 983411086 /nfs/dbraw/zinc/41/10/86/983411086.db2.gz NPOVKCXCNKNGPK-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN Oc1cc(F)ccc1-c1cnc2[nH]ccc2n1 ZINC001242216158 983412488 /nfs/dbraw/zinc/41/24/88/983412488.db2.gz OQJYVTBMJRULQN-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COC(=O)c1ccnc(-c2ccc(F)cc2O)c1 ZINC001242215952 983413451 /nfs/dbraw/zinc/41/34/51/983413451.db2.gz CTUKRTFSCQYWOK-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN FC1(F)CC=C(c2ncnc3c2CNC3)CC1 ZINC001242231326 983417404 /nfs/dbraw/zinc/41/74/04/983417404.db2.gz VQTRJNQTEOSFRC-UHFFFAOYSA-N 0 1 237.253 2.282 20 0 BEADMN CCCCN1CCc2onc(COCC)c2C1 ZINC001201711133 983419295 /nfs/dbraw/zinc/41/92/95/983419295.db2.gz QQJQNAZKLKHRIE-UHFFFAOYSA-N 0 1 238.331 2.369 20 0 BEADMN CCCCN1CCn2cnc(COCC)c2C1 ZINC001201710675 983419662 /nfs/dbraw/zinc/41/96/62/983419662.db2.gz NBWIHTIGCJLOOY-UHFFFAOYSA-N 0 1 237.347 2.035 20 0 BEADMN COc1cnc(C)nc1-c1ccc(F)cc1O ZINC001242218460 983420588 /nfs/dbraw/zinc/42/05/88/983420588.db2.gz VGGOQDCKZCVNSH-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Oc1cc(F)ccc1-c1cn2ccnc2cn1 ZINC001242221232 983423331 /nfs/dbraw/zinc/42/33/31/983423331.db2.gz SZIWYYUAHLLPNU-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN Cc1cccc(-c2ncnc3c2CNC3)c1F ZINC001242235460 983441128 /nfs/dbraw/zinc/44/11/28/983441128.db2.gz IGXMFNSKPPMOJA-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CCCC=Cc1nc(F)nc2nc[nH]c21 ZINC001242250070 983464796 /nfs/dbraw/zinc/46/47/96/983464796.db2.gz WSJKAEPFLMAHAN-SNAWJCMRSA-N 0 1 206.224 2.257 20 0 BEADMN CCOC(=O)[C@H]1C[C@H](C)CCN1CC1CC1 ZINC001201942335 983506916 /nfs/dbraw/zinc/50/69/16/983506916.db2.gz APAWHIGGCHJIDS-ZYHUDNBSSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1c(F)c(F)ccc1-c1cc2c(nn1)CNC2 ZINC001242306605 983528931 /nfs/dbraw/zinc/52/89/31/983528931.db2.gz ZWUQSSJSDOZKGN-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CCCC[C@@H](O)CN1CCOc2ccccc2C1 ZINC001252090986 983533615 /nfs/dbraw/zinc/53/36/15/983533615.db2.gz ORHJQIDAYJEBMO-CQSZACIVSA-N 0 1 249.354 2.432 20 0 BEADMN OCc1ccc(F)cc1-c1nccc2[nH]cnc21 ZINC001242337561 983584128 /nfs/dbraw/zinc/58/41/28/983584128.db2.gz HMNVEOTZPKJMJB-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1ccc(F)cc1-c1[nH]ccc2ncnc1-2 ZINC001242337561 983584132 /nfs/dbraw/zinc/58/41/32/983584132.db2.gz HMNVEOTZPKJMJB-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1cnc(-c2cccc(F)c2O)c(N)c1 ZINC001242349660 983612313 /nfs/dbraw/zinc/61/23/13/983612313.db2.gz VQDSLXVALSMOPC-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Cn1cnc2ccc(-c3cccc(F)c3O)nc21 ZINC001242349385 983612639 /nfs/dbraw/zinc/61/26/39/983612639.db2.gz JBUAJMMVPPPECK-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN COc1cnc(C)nc1-c1cccc(F)c1O ZINC001242349441 983612972 /nfs/dbraw/zinc/61/29/72/983612972.db2.gz PSDIBONXHYHGMX-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN COCc1nccnc1-c1cccc(F)c1O ZINC001242349216 983613682 /nfs/dbraw/zinc/61/36/82/983613682.db2.gz FLQACBZEVCZTMG-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN COc1nc(C)cc(-c2cccc(F)c2O)n1 ZINC001242349851 983615944 /nfs/dbraw/zinc/61/59/44/983615944.db2.gz VXKJVWRSZVKHDO-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN COCc1nc(C)cc(-c2cccc(F)c2O)n1 ZINC001242350131 983619385 /nfs/dbraw/zinc/61/93/85/983619385.db2.gz JBJDUAIUWWGORY-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1occc1C ZINC001596299322 983723253 /nfs/dbraw/zinc/72/32/53/983723253.db2.gz BMQGQQBDUSPQJW-VZUCSPMQSA-N 0 1 237.299 2.441 20 0 BEADMN COc1ncc(-c2nccc3[nH]cnc32)cc1C ZINC001242429916 983729902 /nfs/dbraw/zinc/72/99/02/983729902.db2.gz YBDSZIQOZRUOCR-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2[nH]ccc3ncnc2-3)cc1C ZINC001242429916 983729904 /nfs/dbraw/zinc/72/99/04/983729904.db2.gz YBDSZIQOZRUOCR-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001490523580 983730687 /nfs/dbraw/zinc/73/06/87/983730687.db2.gz TUZMUFAHYYTOCO-RYUDHWBXSA-N 0 1 244.354 2.115 20 0 BEADMN CC(C)n1cc(-c2nccc3[nH]cnc32)cn1 ZINC001242433556 983735889 /nfs/dbraw/zinc/73/58/89/983735889.db2.gz GKJYRZDBJSAFOR-UHFFFAOYSA-N 0 1 227.271 2.402 20 0 BEADMN Cc1cnc(-c2cnn(C(C)C)c2)cc1N ZINC001242436203 983740312 /nfs/dbraw/zinc/74/03/12/983740312.db2.gz DCDZUZSMADSXAL-UHFFFAOYSA-N 0 1 216.288 2.417 20 0 BEADMN CN(C)Cc1cccc(-c2ccn(C)n2)c1F ZINC001242461096 983785414 /nfs/dbraw/zinc/78/54/14/983785414.db2.gz RSOZRTLRCPMPRH-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN Cc1c(N)ccnc1-c1cnn(C(F)(F)F)c1 ZINC001242462078 983786068 /nfs/dbraw/zinc/78/60/68/983786068.db2.gz QMJFIKPQRGYSBX-UHFFFAOYSA-N 0 1 242.204 2.312 20 0 BEADMN CC[C@@H]1CCN(Cc2nn(CC)nc2C)[C@H]1C ZINC001473402559 983884252 /nfs/dbraw/zinc/88/42/52/983884252.db2.gz KYTHNGPSSILQOL-NWDGAFQWSA-N 0 1 236.363 2.227 20 0 BEADMN c1nc2cnc(-c3cccc4c3OCO4)cc2[nH]1 ZINC001242583669 983897499 /nfs/dbraw/zinc/89/74/99/983897499.db2.gz AXNUDUHBRLACAI-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN O=C(NCc1ccoc1)c1cccc(F)c1O ZINC001360605529 983969960 /nfs/dbraw/zinc/96/99/60/983969960.db2.gz ZIDHQAWQBUYCKJ-UHFFFAOYSA-N 0 1 235.214 2.054 20 0 BEADMN C[C@@H](NC[C@H]1CCC=CO1)c1cscn1 ZINC000379945695 984038814 /nfs/dbraw/zinc/03/88/14/984038814.db2.gz DDMOWIUSCYRIID-NXEZZACHSA-N 0 1 224.329 2.486 20 0 BEADMN CNc1ccccc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC001573909784 984052836 /nfs/dbraw/zinc/05/28/36/984052836.db2.gz CZCVLFWAVMTNJJ-UHFFFAOYSA-N 0 1 248.326 2.167 20 0 BEADMN CCCNC(=O)Nc1ccc2c(c1)CN(C)CC2 ZINC001202597532 984102503 /nfs/dbraw/zinc/10/25/03/984102503.db2.gz OCDUICZLXRKKJJ-UHFFFAOYSA-N 0 1 247.342 2.206 20 0 BEADMN Oc1ccc(F)c(-c2nccc3[nH]cnc32)c1 ZINC001242760195 984123760 /nfs/dbraw/zinc/12/37/60/984123760.db2.gz JSJNLKSNGRDKLQ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCCCOC1CN(CCC2CCOCC2)C1 ZINC001202660853 984149129 /nfs/dbraw/zinc/14/91/29/984149129.db2.gz OZQCDXOVVJCYDO-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN c1ccc2nc(-c3ncnc4c3CNC4)ccc2c1 ZINC001242772328 984155656 /nfs/dbraw/zinc/15/56/56/984155656.db2.gz CAIOJBZFFFVRGJ-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN c1c[nH]c(CN2CC(c3cccnc3)C2)c1 ZINC001204008596 984160580 /nfs/dbraw/zinc/16/05/80/984160580.db2.gz JTLDRJVCBVXUHV-UHFFFAOYSA-N 0 1 213.284 2.009 20 0 BEADMN Cc1nnc(-c2cn[nH]c2-c2ccccc2)o1 ZINC001253436677 984166049 /nfs/dbraw/zinc/16/60/49/984166049.db2.gz FKENMVDUKBPPHO-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN [O-]c1cccc(-c2ncnc3c2C[NH2+]C3)c1Cl ZINC001242797887 984166157 /nfs/dbraw/zinc/16/61/57/984166157.db2.gz OKOGBIYDWDBNEK-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN [O-]c1cccc(-c2ncc3c(n2)C[NH2+]C3)c1Cl ZINC001242797805 984168070 /nfs/dbraw/zinc/16/80/70/984168070.db2.gz MWZIEUXEDMSGKB-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN [O-]c1cccc(-c2cc3c(nn2)C[NH2+]C3)c1Cl ZINC001242800970 984171329 /nfs/dbraw/zinc/17/13/29/984171329.db2.gz NSXKWNZTGLZKIG-UHFFFAOYSA-N 0 1 247.685 2.106 20 0 BEADMN CCCCC[C@H](O)CNCc1csc(C)n1 ZINC001253518005 984185071 /nfs/dbraw/zinc/18/50/71/984185071.db2.gz IQXBCUNNNUBCEH-LBPRGKRZSA-N 0 1 242.388 2.482 20 0 BEADMN Nc1c(F)cc(-c2ccc3[nH]nnc3c2)cc1F ZINC001242839387 984188300 /nfs/dbraw/zinc/18/83/00/984188300.db2.gz RWJURBZLDOUJFL-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Nc1c(F)cc(-c2ccc3nn[nH]c3c2)cc1F ZINC001242839387 984188301 /nfs/dbraw/zinc/18/83/01/984188301.db2.gz RWJURBZLDOUJFL-UHFFFAOYSA-N 0 1 246.220 2.485 20 0 BEADMN Cc1c2[nH]cnc2ncc1-c1nccs1 ZINC001242896663 984256113 /nfs/dbraw/zinc/25/61/13/984256113.db2.gz LZLHKHVXCQYCRS-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN C[C@@H](NC(=O)c1cccc(F)c1O)c1ccc[nH]1 ZINC001435764169 984298606 /nfs/dbraw/zinc/29/86/06/984298606.db2.gz CLXHIJGNCYTAMI-MRVPVSSYSA-N 0 1 248.257 2.350 20 0 BEADMN OCc1cncc(-c2cncc3cc[nH]c32)c1 ZINC001242972455 984339398 /nfs/dbraw/zinc/33/93/98/984339398.db2.gz ULSMRXRHVCGIHE-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN COc1cc(C)ccc1-c1cc2c(nn1)CNC2 ZINC001242977854 984346462 /nfs/dbraw/zinc/34/64/62/984346462.db2.gz CKOVYAOGBDOMSP-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN COc1cnccc1-c1nccc2[nH]cnc21 ZINC001243071653 984497899 /nfs/dbraw/zinc/49/78/99/984497899.db2.gz ZDJXGSYZTPJFKG-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1nc([C@@H](C)Nc2nc(C(C)C)no2)no1 ZINC001322164077 984503557 /nfs/dbraw/zinc/50/35/57/984503557.db2.gz ABQDGOVTUIWJBO-ZCFIWIBFSA-N 0 1 237.263 2.058 20 0 BEADMN COc1cnccc1-c1cc(N)c(C)cn1 ZINC001243073348 984508328 /nfs/dbraw/zinc/50/83/28/984508328.db2.gz NRMKBSGWRDUCAE-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@H]2CCCC[C@H]2C1 ZINC001322642106 984526726 /nfs/dbraw/zinc/52/67/26/984526726.db2.gz PVGSUXOJTUKQKQ-UPJWGTAASA-N 0 1 248.374 2.388 20 0 BEADMN COc1cccc(-c2cc3[nH]nnc3cc2F)n1 ZINC001243095831 984528116 /nfs/dbraw/zinc/52/81/16/984528116.db2.gz RFKQXIVMLVAIOR-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001444695020 984569423 /nfs/dbraw/zinc/56/94/23/984569423.db2.gz QHUURHKBHSXICE-HTQZYQBOSA-N 0 1 227.283 2.103 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001444695024 984571281 /nfs/dbraw/zinc/57/12/81/984571281.db2.gz QHUURHKBHSXICE-SFYZADRCSA-N 0 1 227.283 2.103 20 0 BEADMN C=C/C=C/CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001445356353 984590622 /nfs/dbraw/zinc/59/06/22/984590622.db2.gz XZJWCPPIOOXTPZ-ONEGZZNKSA-N 0 1 245.326 2.248 20 0 BEADMN OCc1cccc(-c2nccc3c2CCN3)c1F ZINC001243140181 984598241 /nfs/dbraw/zinc/59/82/41/984598241.db2.gz LAUQNLXEPPZAJY-UHFFFAOYSA-N 0 1 244.269 2.348 20 0 BEADMN C[C@@H](Oc1nc(Cl)nc2[nH]ncc21)C1CC1 ZINC000719031483 984600993 /nfs/dbraw/zinc/60/09/93/984600993.db2.gz GKTJPIMNNHSQGX-RXMQYKEDSA-N 0 1 238.678 2.184 20 0 BEADMN OCc1cccc(-c2cncc3nc[nH]c32)c1F ZINC001243142877 984605492 /nfs/dbraw/zinc/60/54/92/984605492.db2.gz SXLRCDNBMWLJGE-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cccc(-c2cncc3[nH]cnc32)c1F ZINC001243142877 984605498 /nfs/dbraw/zinc/60/54/98/984605498.db2.gz SXLRCDNBMWLJGE-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN COC/C=C/C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC001445734379 984613302 /nfs/dbraw/zinc/61/33/02/984613302.db2.gz BXFGTGQASMIEAA-ONEGZZNKSA-N 0 1 245.282 2.012 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+](Cc1ccccn1)C(C)C ZINC001588946531 984657142 /nfs/dbraw/zinc/65/71/42/984657142.db2.gz SBUAZMGPXCEWCX-XYOKQWHBSA-N 0 1 248.326 2.323 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(O)cc2C)[nH]1 ZINC001446457906 984658676 /nfs/dbraw/zinc/65/86/76/984658676.db2.gz FELVOTIAOZDUPB-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C(C)(C)F)c1 ZINC001447021571 984732728 /nfs/dbraw/zinc/73/27/28/984732728.db2.gz JJLBSVBNMJJTPK-UHFFFAOYSA-N 0 1 239.246 2.281 20 0 BEADMN Cc1cnc(-c2cc(N)ccc2F)cc1N ZINC001243283665 984811574 /nfs/dbraw/zinc/81/15/74/984811574.db2.gz AJXUMEYXXYOFMR-UHFFFAOYSA-N 0 1 217.247 2.361 20 0 BEADMN Cc1cc(-c2ncc3c(n2)CNC3)cc(C)c1O ZINC001243303934 984820726 /nfs/dbraw/zinc/82/07/26/984820726.db2.gz JXRXXHAIVWUTIN-UHFFFAOYSA-N 0 1 241.294 2.069 20 0 BEADMN Nc1nccc(F)c1-c1ccc(O)c(F)c1F ZINC001243339903 984829799 /nfs/dbraw/zinc/82/97/99/984829799.db2.gz STSATRVGKPEZIW-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Oc1ccc(-c2cnc(F)nc2F)c(F)c1F ZINC001243342821 984833884 /nfs/dbraw/zinc/83/38/84/984833884.db2.gz KUPLLCCZFVKQBM-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Oc1ccc(-c2cncc3nnoc32)c(F)c1F ZINC001243343887 984836268 /nfs/dbraw/zinc/83/62/68/984836268.db2.gz RXZIFWNVEJMGES-UHFFFAOYSA-N 0 1 249.176 2.269 20 0 BEADMN CC(C)=C[C@H]1[C@@H](C(=O)OCc2nnc[nH]2)C1(C)C ZINC001327114564 984852917 /nfs/dbraw/zinc/85/29/17/984852917.db2.gz DIPYWMUBVBIFHJ-ONGXEEELSA-N 0 1 249.314 2.086 20 0 BEADMN Cc1ncc(-c2cncc3[nH]cnc32)s1 ZINC001243379129 984861062 /nfs/dbraw/zinc/86/10/62/984861062.db2.gz OCZMEFACQLDELX-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1ncc(-c2cncc3nc[nH]c32)s1 ZINC001243379129 984861066 /nfs/dbraw/zinc/86/10/66/984861066.db2.gz OCZMEFACQLDELX-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1ncc(-c2ccc3nn[nH]c3c2)s1 ZINC001243380086 984864319 /nfs/dbraw/zinc/86/43/19/984864319.db2.gz ZQJCAEVVXFNOGR-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN CCC(CC)NCc1nc(C(=O)OC)cs1 ZINC001257285436 984867829 /nfs/dbraw/zinc/86/78/29/984867829.db2.gz BFVIPWJAWHHUJS-UHFFFAOYSA-N 0 1 242.344 2.208 20 0 BEADMN CCCCCC[C@@H](C)N1CC(NC(C)=O)C1 ZINC001257369054 984938305 /nfs/dbraw/zinc/93/83/05/984938305.db2.gz SNYKYDHNGWHCJI-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN CC[C@H](C)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001257441206 985017165 /nfs/dbraw/zinc/01/71/65/985017165.db2.gz XXHQTOXVAGJDMR-SMDDNHRTSA-N 0 1 244.338 2.298 20 0 BEADMN O=C(OCc1nnc[nH]1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001327194732 985030436 /nfs/dbraw/zinc/03/04/36/985030436.db2.gz QIPZLJLXKPWTSZ-NXEZZACHSA-N 0 1 249.314 2.064 20 0 BEADMN CCCS(=O)(=O)CCN(C)[C@H](C)C(C)(C)C ZINC000686011230 985037856 /nfs/dbraw/zinc/03/78/56/985037856.db2.gz RGLSUVOKSHGWJF-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN Fc1cnc(CNC2CCCCC2)nc1 ZINC001257450226 985046562 /nfs/dbraw/zinc/04/65/62/985046562.db2.gz ZCCHYKDHLVBUSL-UHFFFAOYSA-N 0 1 209.268 2.038 20 0 BEADMN Nc1ccc(-c2cc(F)cc(F)c2O)nc1 ZINC001243501021 985055195 /nfs/dbraw/zinc/05/51/95/985055195.db2.gz XFBVOSISBLPSLW-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN [NH3+]Cc1cc(-c2cc(F)cc(F)c2[O-])ccn1 ZINC001243503263 985060249 /nfs/dbraw/zinc/06/02/49/985060249.db2.gz FJIRXFAZZVYTJD-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN Cn1ccc(-c2cc(F)cc(F)c2O)n1 ZINC001243504209 985061828 /nfs/dbraw/zinc/06/18/28/985061828.db2.gz NIYGNGSYIWYFDX-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN Cc1cnc(-c2cccc(O)c2F)cc1N ZINC001243544224 985082208 /nfs/dbraw/zinc/08/22/08/985082208.db2.gz NWHHRARVLUHXGK-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CCO[C@H](CO)C1 ZINC001257477180 985104670 /nfs/dbraw/zinc/10/46/70/985104670.db2.gz MPKCYVBOPXBQRU-MJBXVCDLSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1ncc(CNC(=O)c2oc(C)cc2C)[nH]1 ZINC001456143830 985115621 /nfs/dbraw/zinc/11/56/21/985115621.db2.gz UASCZABBXZUAAZ-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC001456143963 985116712 /nfs/dbraw/zinc/11/67/12/985116712.db2.gz MMSJXRWFEWLUGJ-SNVBAGLBSA-N 0 1 249.358 2.415 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(C)cc2F)n[nH]1 ZINC000686505563 985126346 /nfs/dbraw/zinc/12/63/46/985126346.db2.gz DKIXUZJQEXNKBW-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN CCC=C(C)C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001456249767 985127835 /nfs/dbraw/zinc/12/78/35/985127835.db2.gz QESAFHRIEBULLV-POHAHGRESA-N 0 1 247.342 2.261 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2cncn2c1)C1CC1 ZINC001456443897 985142534 /nfs/dbraw/zinc/14/25/34/985142534.db2.gz FWRLOGLCESVKOM-SECBINFHSA-N 0 1 229.283 2.319 20 0 BEADMN CC[C@](C)(OC)C(=O)Nc1ccc2cncn2c1 ZINC001456450732 985145775 /nfs/dbraw/zinc/14/57/75/985145775.db2.gz XDIYJQMLXHFIES-ZDUSSCGKSA-N 0 1 247.298 2.088 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001589445056 985185482 /nfs/dbraw/zinc/18/54/82/985185482.db2.gz ILYCGNZSXYBMBJ-DGCLKSJQSA-N 0 1 248.326 2.124 20 0 BEADMN Cc1nocc1-c1cc2[nH]nnc2cc1F ZINC001243678809 985193692 /nfs/dbraw/zinc/19/36/92/985193692.db2.gz XUHWVKLZFZJQJI-UHFFFAOYSA-N 0 1 218.191 2.060 20 0 BEADMN OCc1cc(F)cc(-c2nccc3[nH]cnc32)c1 ZINC001243692988 985220760 /nfs/dbraw/zinc/22/07/60/985220760.db2.gz ZYUXMHLONFPWRR-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN OCc1cc(F)cc(-c2[nH]ccc3ncnc2-3)c1 ZINC001243692988 985220763 /nfs/dbraw/zinc/22/07/63/985220763.db2.gz ZYUXMHLONFPWRR-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC[C@@H](F)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC001457818201 985238040 /nfs/dbraw/zinc/23/80/40/985238040.db2.gz HMRBGALAZITZNC-SCSAIBSYSA-N 0 1 239.172 2.115 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1(C(C)C)CC1 ZINC000687533312 985307197 /nfs/dbraw/zinc/30/71/97/985307197.db2.gz NBZQLJZQLOASOW-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1c2ccccc2C[N@@H+]1CC1(C(=O)[O-])CC1 ZINC001599937282 985410993 /nfs/dbraw/zinc/41/09/93/985410993.db2.gz UYBCCXCFZWWQPE-JTQLQIEISA-N 0 1 231.295 2.428 20 0 BEADMN CCCCCCN(C)[C@H](C)CS(=O)(=O)CC ZINC000077313359 985441724 /nfs/dbraw/zinc/44/17/24/985441724.db2.gz QPRUCNICFBHASM-GFCCVEGCSA-N 0 1 249.420 2.322 20 0 BEADMN COc1nscc1CN1CC[C@H](C)[C@H]1C ZINC001459633556 985563996 /nfs/dbraw/zinc/56/39/96/985563996.db2.gz UHOABWCTOVRFOT-DTWKUNHWSA-N 0 1 226.345 2.382 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000688270403 985596483 /nfs/dbraw/zinc/59/64/83/985596483.db2.gz CRRDYTJXZQGNEZ-NEPJUHHUSA-N 0 1 247.342 2.147 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000688270410 985596732 /nfs/dbraw/zinc/59/67/32/985596732.db2.gz CRRDYTJXZQGNEZ-RYUDHWBXSA-N 0 1 247.342 2.147 20 0 BEADMN COc1cnc(-c2cccc3nc[nH]c32)cn1 ZINC001243929173 985601291 /nfs/dbraw/zinc/60/12/91/985601291.db2.gz NMTTZIBWROFKQS-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CCOc1cnc(-c2cccc3nc[nH]c32)cn1 ZINC001243936551 985613517 /nfs/dbraw/zinc/61/35/17/985613517.db2.gz ZMYJKBHHBPFFJJ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN COC(=O)c1ccc(OC)cc1C1=CNCCC1 ZINC001243949744 985642722 /nfs/dbraw/zinc/64/27/22/985642722.db2.gz IEUDUJIGUPRBLM-UHFFFAOYSA-N 0 1 247.294 2.206 20 0 BEADMN c1cc2c(c(C3=CNCCC3)c1)OCO2 ZINC001243950362 985650066 /nfs/dbraw/zinc/65/00/66/985650066.db2.gz YTONQYVGEOVOLP-UHFFFAOYSA-N 0 1 203.241 2.140 20 0 BEADMN c1cnc2ncc(C3=CNCCC3)cc2c1 ZINC001243950962 985650301 /nfs/dbraw/zinc/65/03/01/985650301.db2.gz RGAGNMYAPVFSCR-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN COc1cncc(C2=CNCCC2)c1C ZINC001243950353 985651310 /nfs/dbraw/zinc/65/13/10/985651310.db2.gz PYNFSQSAAXBONM-UHFFFAOYSA-N 0 1 204.273 2.123 20 0 BEADMN COC(=O)c1ccc(F)cc1C1=CNCCC1 ZINC001243952683 985663202 /nfs/dbraw/zinc/66/32/02/985663202.db2.gz NMHKSHIRDIXAPV-UHFFFAOYSA-N 0 1 235.258 2.337 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC001594500273 985674850 /nfs/dbraw/zinc/67/48/50/985674850.db2.gz UODAECGDACUQDJ-PRJMDXOYSA-N 0 1 240.328 2.243 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@H]1C ZINC001594500273 985674854 /nfs/dbraw/zinc/67/48/54/985674854.db2.gz UODAECGDACUQDJ-PRJMDXOYSA-N 0 1 240.328 2.243 20 0 BEADMN COc1nccnc1-c1ccc2[nH]c(C)nc2c1 ZINC001243963053 985677493 /nfs/dbraw/zinc/67/74/93/985677493.db2.gz OHFOZVICAQXNJT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CNc1ccnc(-c2ccc3[nH]c(C)nc3c2)n1 ZINC001243964955 985680809 /nfs/dbraw/zinc/68/08/09/985680809.db2.gz PRYWCNKTVZRTAA-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN C[C@H](CN1CC(=O)N(C)C[C@H]1C)CC(C)(C)C ZINC001459971763 985681074 /nfs/dbraw/zinc/68/10/74/985681074.db2.gz NPUDZDKPVIIMNN-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CN(C)c1ccnc(-c2cc(F)nc(F)c2)c1 ZINC001243970225 985689722 /nfs/dbraw/zinc/68/97/22/985689722.db2.gz VEJBNPWZKVSJRU-UHFFFAOYSA-N 0 1 235.237 2.488 20 0 BEADMN Cc1csc(CNC[C@H]2CCC[C@H](C)O2)n1 ZINC000688895379 985752231 /nfs/dbraw/zinc/75/22/31/985752231.db2.gz SSIDKDRATIJRBU-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN Cn1cnc(-c2cc(F)c(O)c(F)c2)c1 ZINC001244096719 985808413 /nfs/dbraw/zinc/80/84/13/985808413.db2.gz LIUFBJJPGHNCEB-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN C[C@H](NC[C@@H]1CCO[C@H](C)C1)c1csnn1 ZINC001460251989 985819485 /nfs/dbraw/zinc/81/94/85/985819485.db2.gz MDYBTWVSCFVPTP-KXUCPTDWSA-N 0 1 241.360 2.004 20 0 BEADMN C[C@H](NC[C@H]1CCO[C@H](C)C1)c1csnn1 ZINC001460251994 985821019 /nfs/dbraw/zinc/82/10/19/985821019.db2.gz MDYBTWVSCFVPTP-UTLUCORTSA-N 0 1 241.360 2.004 20 0 BEADMN CO[C@H]1CC=C(Nc2conc2C)CC1 ZINC001212874510 985827917 /nfs/dbraw/zinc/82/79/17/985827917.db2.gz AFJSRNJNUMKZJA-JTQLQIEISA-N 0 1 208.261 2.478 20 0 BEADMN CO[C@@H]1CC=C(Nc2conc2C)CC1 ZINC001212874511 985829096 /nfs/dbraw/zinc/82/90/96/985829096.db2.gz AFJSRNJNUMKZJA-SNVBAGLBSA-N 0 1 208.261 2.478 20 0 BEADMN CO[C@H]1CC=C(Nc2ccnc(CO)c2)CC1 ZINC001212875575 985834814 /nfs/dbraw/zinc/83/48/14/985834814.db2.gz QNGHCFHMBOLLJR-ZDUSSCGKSA-N 0 1 234.299 2.069 20 0 BEADMN CO[C@@H]1CC=C(Nc2cc3n(n2)CCCO3)CC1 ZINC001212876688 985840098 /nfs/dbraw/zinc/84/00/98/985840098.db2.gz IFMZGOVZOHETDS-LLVKDONJSA-N 0 1 249.314 2.160 20 0 BEADMN Cc1ncc(C2CC2)cc1-c1cnc(CN)nc1 ZINC001244144261 985842982 /nfs/dbraw/zinc/84/29/82/985842982.db2.gz YEQGJDBWQCVRCP-UHFFFAOYSA-N 0 1 240.310 2.183 20 0 BEADMN COC(=O)CC[C@@H](C)N1CCC[C@](C)(F)C1 ZINC001258366706 985849398 /nfs/dbraw/zinc/84/93/98/985849398.db2.gz VIJZSSHGDGKXEC-PWSUYJOCSA-N 0 1 231.311 2.152 20 0 BEADMN Cc1cncc(-c2nc3nc[nH]c3c(C)n2)c1C ZINC001244151479 985864316 /nfs/dbraw/zinc/86/43/16/985864316.db2.gz RHWKSOMSWCRZLG-UHFFFAOYSA-N 0 1 239.282 2.292 20 0 BEADMN C[C@@H](CC1CC1)NCc1ncc(Cl)cn1 ZINC001258450864 985894345 /nfs/dbraw/zinc/89/43/45/985894345.db2.gz YUIZUUVHAHJABE-QMMMGPOBSA-N 0 1 225.723 2.408 20 0 BEADMN CC(C)=CCCN1CC(=O)NC[C@@H]1C(C)(C)C ZINC001460832153 985905023 /nfs/dbraw/zinc/90/50/23/985905023.db2.gz POYUKQHFKHHKQQ-GFCCVEGCSA-N 0 1 238.375 2.189 20 0 BEADMN COC(=O)CN1C[C@H](c2ccccc2)CC1(C)C ZINC001460861623 985915146 /nfs/dbraw/zinc/91/51/46/985915146.db2.gz ATMWJDJYLHDJTJ-CYBMUJFWSA-N 0 1 247.338 2.428 20 0 BEADMN Cc1cc([C@H]2CCCCN2Cc2ccno2)n[nH]1 ZINC001460841382 985916608 /nfs/dbraw/zinc/91/66/08/985916608.db2.gz IMDOHEMHICPIDH-CYBMUJFWSA-N 0 1 246.314 2.433 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@H](C2CCCC2)C1 ZINC001460946523 985961605 /nfs/dbraw/zinc/96/16/05/985961605.db2.gz JJPNFOZRCLKODH-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1nonc1CN1CC=CC12CCCCC2 ZINC001460980967 985974212 /nfs/dbraw/zinc/97/42/12/985974212.db2.gz OWABQEXZVGZNMZ-UHFFFAOYSA-N 0 1 233.315 2.453 20 0 BEADMN Cn1cnc2c1CN([C@@H]1CCC(C)(C)C1)CC2 ZINC001258608979 985983094 /nfs/dbraw/zinc/98/30/94/985983094.db2.gz PUUQFNOZEBTOJH-LLVKDONJSA-N 0 1 233.359 2.357 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCC(=O)[C@@H](C)CC1 ZINC001258622464 985989629 /nfs/dbraw/zinc/98/96/29/985989629.db2.gz NDCMPDHIHMYLLH-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)c(N)c1 ZINC001244391128 986029551 /nfs/dbraw/zinc/02/95/51/986029551.db2.gz IQJJQQJZHQYMKV-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN Cc1cnccc1CN[C@H]1CCCc2c[nH]nc21 ZINC001461285791 986040721 /nfs/dbraw/zinc/04/07/21/986040721.db2.gz HZWNBTUZSYEVOR-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1cccc([C@@H](O)CNCc2nccs2)c1 ZINC001461334568 986042553 /nfs/dbraw/zinc/04/25/53/986042553.db2.gz REIAHTGCAKNBKH-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1ccc(-c2cc(N)ccn2)c(CO)c1 ZINC001244482173 986165480 /nfs/dbraw/zinc/16/54/80/986165480.db2.gz CDGYEDQLVIAXIE-UHFFFAOYSA-N 0 1 214.268 2.132 20 0 BEADMN Fc1ccc(/C=C/CNCc2cnccn2)cc1 ZINC001461820407 986184834 /nfs/dbraw/zinc/18/48/34/986184834.db2.gz NFNLSWSCTXLHDY-OWOJBTEDSA-N 0 1 243.285 2.419 20 0 BEADMN CCOC(OCC)[C@H](C)NCc1cncs1 ZINC001461836496 986186992 /nfs/dbraw/zinc/18/69/92/986186992.db2.gz FTYUMQDTIPPPOG-VIFPVBQESA-N 0 1 244.360 2.020 20 0 BEADMN COCCN(Cc1ncccc1F)CC(C)C ZINC001461876685 986213649 /nfs/dbraw/zinc/21/36/49/986213649.db2.gz XLZQIXOZUYVTOS-UHFFFAOYSA-N 0 1 240.322 2.325 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC2(CCC2)C1 ZINC001579790452 986222861 /nfs/dbraw/zinc/22/28/61/986222861.db2.gz VPTJVQJQEPMXJG-ZDUSSCGKSA-N 0 1 244.338 2.007 20 0 BEADMN CCCn1cc(CN(C)CCOCC)c(C)n1 ZINC001462070103 986276061 /nfs/dbraw/zinc/27/60/61/986276061.db2.gz FWLAWESDLLVVCN-UHFFFAOYSA-N 0 1 239.363 2.070 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@@H]2CCC[C@H]12)c1ncn(C)n1 ZINC001462090253 986277430 /nfs/dbraw/zinc/27/74/30/986277430.db2.gz FRFYSQKTBOHRNQ-NOOOWODRSA-N 0 1 234.347 2.044 20 0 BEADMN C[C@@H]1CCC[C@@H](N2CCn3cncc3C2)C1 ZINC001258827689 986291246 /nfs/dbraw/zinc/29/12/46/986291246.db2.gz UDUIIYDMUIUHOU-VXGBXAGGSA-N 0 1 219.332 2.277 20 0 BEADMN CCn1ccc(CN(C)[C@H](C)C2CC2)n1 ZINC001462248758 986322159 /nfs/dbraw/zinc/32/21/59/986322159.db2.gz MBAZEGOAWNMXKM-SNVBAGLBSA-N 0 1 207.321 2.133 20 0 BEADMN OCc1cc(-c2nccc3[nH]ccc32)ccc1O ZINC001244773032 986335466 /nfs/dbraw/zinc/33/54/66/986335466.db2.gz DBIHFPBNWDXZSY-UHFFFAOYSA-N 0 1 240.262 2.428 20 0 BEADMN CC(C)(C)[C@@H](O)CNc1ccc2nccn2c1 ZINC001253716924 986336173 /nfs/dbraw/zinc/33/61/73/986336173.db2.gz GWJBBOHHMMIXDV-NSHDSACASA-N 0 1 233.315 2.153 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1ncccc1F ZINC001462411786 986377395 /nfs/dbraw/zinc/37/73/95/986377395.db2.gz QCBMUTXEVMTGFF-DGCLKSJQSA-N 0 1 238.306 2.268 20 0 BEADMN COc1ncc(-c2cccn3cncc23)cc1O ZINC001244848937 986396039 /nfs/dbraw/zinc/39/60/39/986396039.db2.gz YKYVCVNBUIDLHI-UHFFFAOYSA-N 0 1 241.250 2.111 20 0 BEADMN CN(C)Cc1cccc(-c2cn(C)cn2)c1F ZINC001244863823 986404406 /nfs/dbraw/zinc/40/44/06/986404406.db2.gz LASUTWMKIXDUDF-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN(C)Cc1cccc(-c2cnc(F)cn2)c1F ZINC001244862531 986404584 /nfs/dbraw/zinc/40/45/84/986404584.db2.gz FEFLQJUIEXBFAY-UHFFFAOYSA-N 0 1 249.264 2.483 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@@H]1CCC[C@H]1O ZINC000689261703 986464363 /nfs/dbraw/zinc/46/43/63/986464363.db2.gz JFAPGDIVEOTXME-DTWKUNHWSA-N 0 1 238.158 2.398 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@H]1CCC[C@@H]1O ZINC000689261700 986466562 /nfs/dbraw/zinc/46/65/62/986466562.db2.gz JFAPGDIVEOTXME-BDAKNGLRSA-N 0 1 238.158 2.398 20 0 BEADMN CCON(Cc1cnc[nH]1)Cc1ccccc1 ZINC000832800094 986496201 /nfs/dbraw/zinc/49/62/01/986496201.db2.gz ATUVSRQUJUSQAC-UHFFFAOYSA-N 0 1 231.299 2.363 20 0 BEADMN Cc1nc(-c2cccc(O)c2C)nc2nc[nH]c21 ZINC001244955095 986511738 /nfs/dbraw/zinc/51/17/38/986511738.db2.gz IOSKXGCQFGDYRX-UHFFFAOYSA-N 0 1 240.266 2.294 20 0 BEADMN COc1c(O)cccc1-c1nccc2[nH]cnc21 ZINC001244985013 986575927 /nfs/dbraw/zinc/57/59/27/986575927.db2.gz PFMPBRHCXDFXSR-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC(F)CC1 ZINC000689455964 986619379 /nfs/dbraw/zinc/61/93/79/986619379.db2.gz QSZKKIOJVBENBW-LLVKDONJSA-N 0 1 231.311 2.008 20 0 BEADMN COc1cc(-c2cc(N(C)C)ccn2)cnc1F ZINC001245075195 986633869 /nfs/dbraw/zinc/63/38/69/986633869.db2.gz XSGAGYWDIZFBHR-UHFFFAOYSA-N 0 1 247.273 2.357 20 0 BEADMN CCCOC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC001464472806 986640753 /nfs/dbraw/zinc/64/07/53/986640753.db2.gz VAMYAQOGDPQBGE-NSHDSACASA-N 0 1 242.363 2.195 20 0 BEADMN Cc1csc(CN2CC[C@@H](O)C2)c1Cl ZINC001137287729 986728302 /nfs/dbraw/zinc/72/83/02/986728302.db2.gz VDZDPTLWVSVIET-MRVPVSSYSA-N 0 1 231.748 2.277 20 0 BEADMN CCC=C(F)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001465666577 986732137 /nfs/dbraw/zinc/73/21/37/986732137.db2.gz CCOYLWYHQSYMNI-BAQGIRSFSA-N 0 1 234.234 2.160 20 0 BEADMN Cc1cc2nc(CCO)[nH]c2cc1Cl ZINC000586894477 986738659 /nfs/dbraw/zinc/73/86/59/986738659.db2.gz HQPHVALLBAMQNY-UHFFFAOYSA-N 0 1 210.664 2.060 20 0 BEADMN COCn1cc(-c2nc(C)cc3[nH]ccc32)cn1 ZINC001245218873 986739668 /nfs/dbraw/zinc/73/96/68/986739668.db2.gz UWDYGOCFWLADND-UHFFFAOYSA-N 0 1 242.282 2.339 20 0 BEADMN Cc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)C3=O)[nH]1 ZINC001137329624 986786570 /nfs/dbraw/zinc/78/65/70/986786570.db2.gz HMLQIBZIOQZSFS-TXEJJXNPSA-N 0 1 232.327 2.042 20 0 BEADMN CCO/C=C/C(=O)Nc1cc(C(C)=O)ccc1O ZINC001466526097 986811518 /nfs/dbraw/zinc/81/15/18/986811518.db2.gz UAXLKJSLZPKLJF-VOTSOKGWSA-N 0 1 249.266 2.084 20 0 BEADMN FC[C@H]1CCCN1Cc1[nH]nc2ccccc21 ZINC001137353885 986818711 /nfs/dbraw/zinc/81/87/11/986818711.db2.gz ZISZOHZGZXTFKV-SNVBAGLBSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N(C)C)C1CCCCCC1 ZINC001466757050 986820851 /nfs/dbraw/zinc/82/08/51/986820851.db2.gz ADRAXGFIXZIQFP-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)(C)c1ccc(CN2CCC[C@H](O)C2)[nH]1 ZINC001137371016 986836302 /nfs/dbraw/zinc/83/63/02/986836302.db2.gz WTPQSKCQJYXROT-LBPRGKRZSA-N 0 1 236.359 2.269 20 0 BEADMN c1cc2cnc(-c3cc4ccc[nH]c-4n3)nc2[nH]1 ZINC001245399332 986837174 /nfs/dbraw/zinc/83/71/74/986837174.db2.gz IGWSEKFITGOAOA-UHFFFAOYSA-N 0 1 235.250 2.453 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CCCCO1 ZINC001467268539 986839616 /nfs/dbraw/zinc/83/96/16/986839616.db2.gz FHZDJOIQCXCUHF-UHFFFAOYSA-N 0 1 241.674 2.213 20 0 BEADMN Cc1cc(-c2cc3cccnc3[nH]2)cc(=O)o1 ZINC001245404635 986847427 /nfs/dbraw/zinc/84/74/27/986847427.db2.gz ZDFPOPUYTSOLQG-UHFFFAOYSA-N 0 1 226.235 2.492 20 0 BEADMN CC(C)C(CNc1nccnc1CN)C(C)C ZINC000701257637 986856011 /nfs/dbraw/zinc/85/60/11/986856011.db2.gz GTDMXDRVYRAKNH-UHFFFAOYSA-N 0 1 236.363 2.275 20 0 BEADMN C/C=C(/C)C(=O)NCCCN(C)C/C=C/Cl ZINC001265821799 986860308 /nfs/dbraw/zinc/86/03/08/986860308.db2.gz AAFSILZSHVTUAG-DEEYYDKOSA-N 0 1 244.766 2.143 20 0 BEADMN Cc1cc(CCC(=O)NC[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC001467732672 986865520 /nfs/dbraw/zinc/86/55/20/986865520.db2.gz HMSRTPKPBUSGDA-PWSUYJOCSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@H]1COCCN1Cc1c[nH]c2ncccc12 ZINC001137403305 986878102 /nfs/dbraw/zinc/87/81/02/986878102.db2.gz IEKPNNPUQIGZSZ-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1ccc(F)c(CN[C@H]2CCSC2)n1 ZINC001255271548 986878306 /nfs/dbraw/zinc/87/83/06/986878306.db2.gz ZLIFVRXYNPAJBO-VIFPVBQESA-N 0 1 226.320 2.124 20 0 BEADMN COc1cc(-c2cc3[nH]cnc3cn2)ccc1N ZINC001245499515 986880908 /nfs/dbraw/zinc/88/09/08/986880908.db2.gz LZBXGZREVKJFHY-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN Cc1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)ccn1 ZINC001137409702 986885833 /nfs/dbraw/zinc/88/58/33/986885833.db2.gz DUBQSOMSDNLLAR-BETUJISGSA-N 0 1 230.311 2.086 20 0 BEADMN Cc1cc(CN2CC3(CCC3)C2)ccn1 ZINC001137408439 986886036 /nfs/dbraw/zinc/88/60/36/986886036.db2.gz HGLUSFQWCVXKJX-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)cnc1N ZINC001245538011 986920117 /nfs/dbraw/zinc/92/01/17/986920117.db2.gz VDWODBYEKXBSIO-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN CCCC[C@H](C)N1CCc2c(ncnc2OC)C1 ZINC001255330993 986927999 /nfs/dbraw/zinc/92/79/99/986927999.db2.gz XZAVUHRPZLMAAB-NSHDSACASA-N 0 1 249.358 2.422 20 0 BEADMN CCCC[C@@H](C)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001255332420 986929230 /nfs/dbraw/zinc/92/92/30/986929230.db2.gz OUBDQEPVRXQDFC-NEPJUHHUSA-N 0 1 247.404 2.074 20 0 BEADMN CN1CC[C@@H](N2CCCC[C@@H]2C(F)(F)F)C1 ZINC001255435446 986957321 /nfs/dbraw/zinc/95/73/21/986957321.db2.gz FYIVVGTUCQZBMX-NXEZZACHSA-N 0 1 236.281 2.107 20 0 BEADMN COC[C@@H](C)NCc1c(F)c(F)ccc1OC ZINC001255558703 987010198 /nfs/dbraw/zinc/01/01/98/987010198.db2.gz SMRVGHIDFJCKHZ-MRVPVSSYSA-N 0 1 245.269 2.098 20 0 BEADMN COc1cc(-c2c(O)cccc2F)nc(C)n1 ZINC001245651510 987012522 /nfs/dbraw/zinc/01/25/22/987012522.db2.gz BQTRBLQZZCYPIE-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN O=c1occcc1-c1cc(O)c(F)c(F)c1F ZINC001245639408 987012981 /nfs/dbraw/zinc/01/29/81/987012981.db2.gz QBROHLSXLBHCPY-UHFFFAOYSA-N 0 1 242.152 2.430 20 0 BEADMN Oc1cc(-c2ccc(F)nn2)c(F)c(F)c1F ZINC001245637014 987015492 /nfs/dbraw/zinc/01/54/92/987015492.db2.gz RKJMFGONPSDWEC-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN Cc1nccnc1-c1c(O)cccc1F ZINC001245651969 987017123 /nfs/dbraw/zinc/01/71/23/987017123.db2.gz XUXLAAFPHXEPMF-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1cccc(F)c1-c1nccc2nc[nH]c21 ZINC001245651540 987017597 /nfs/dbraw/zinc/01/75/97/987017597.db2.gz CVWHDZPLLHUJQH-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cccc(F)c1-c1nccc2[nH]cnc21 ZINC001245651540 987017613 /nfs/dbraw/zinc/01/76/13/987017613.db2.gz CVWHDZPLLHUJQH-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COC(=O)c1ccnc(-c2c(O)cccc2F)c1 ZINC001245652223 987021921 /nfs/dbraw/zinc/02/19/21/987021921.db2.gz VJIQSHRBJOLXQF-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN Oc1cccc(F)c1-c1ccnc(F)n1 ZINC001245653566 987022355 /nfs/dbraw/zinc/02/23/55/987022355.db2.gz NFCIRSFFQLCMSH-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Oc1cccc(F)c1-c1cc2[nH]ccc2nn1 ZINC001245656200 987036907 /nfs/dbraw/zinc/03/69/07/987036907.db2.gz XYKVCZKOFXEHIB-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCOc1nccnc1-c1c(O)cccc1F ZINC001245656232 987037038 /nfs/dbraw/zinc/03/70/38/987037038.db2.gz YDDREXXIVAOPBV-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Oc1cccc(F)c1-c1cncc2[nH]cnc21 ZINC001245655904 987038004 /nfs/dbraw/zinc/03/80/04/987038004.db2.gz KQLAKLFPCLSEGZ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cccc(F)c1-c1cncc2nc[nH]c21 ZINC001245655904 987038015 /nfs/dbraw/zinc/03/80/15/987038015.db2.gz KQLAKLFPCLSEGZ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1c(F)ccc(-c2ncnc3c2CNC3)c1F ZINC001245689563 987062416 /nfs/dbraw/zinc/06/24/16/987062416.db2.gz IUVSYQWGIXDIIM-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN Cc1c(F)ccc(-c2cc3c(nn2)CNC3)c1F ZINC001245693194 987064573 /nfs/dbraw/zinc/06/45/73/987064573.db2.gz FLDVXAJEPYJVFM-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN Cc1nc(Cl)ccc1-c1ncc2c(n1)CNC2 ZINC001245767372 987075701 /nfs/dbraw/zinc/07/57/01/987075701.db2.gz CYQVEDLQEGPPHS-UHFFFAOYSA-N 0 1 246.701 2.104 20 0 BEADMN c1ncn2cc(-c3ccc4nccnc4n3)ccc12 ZINC001245894661 987105809 /nfs/dbraw/zinc/10/58/09/987105809.db2.gz KQSSXQPHOKTDEO-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1ncn2cc(-c3ncnc4cnccc43)ccc12 ZINC001245895408 987108128 /nfs/dbraw/zinc/10/81/28/987108128.db2.gz ZBPPIYVNBARPHF-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1ncn2cc(-c3ccc4c(n3)COC4)ccc12 ZINC001245895532 987110533 /nfs/dbraw/zinc/11/05/33/987110533.db2.gz ZXXLYIUBNJCGAB-UHFFFAOYSA-N 0 1 237.262 2.427 20 0 BEADMN Cn1ccc2nc(-c3ccc4cncn4c3)ncc21 ZINC001245895853 987114373 /nfs/dbraw/zinc/11/43/73/987114373.db2.gz HVHRSVYYIJPUBI-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1ncn2cc(-c3cnc4ncccc4n3)ccc12 ZINC001245896983 987117026 /nfs/dbraw/zinc/11/70/26/987117026.db2.gz XCSMLOLRLUTVQI-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1ncn2cc(-c3cnc4cccnc4n3)ccc12 ZINC001245896970 987121058 /nfs/dbraw/zinc/12/10/58/987121058.db2.gz WNLDIHHZTSIDBW-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1ncn2cc(-c3ncc4cccnc4n3)ccc12 ZINC001245896220 987123384 /nfs/dbraw/zinc/12/33/84/987123384.db2.gz NNHGHPKUIOXTNI-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN Cc1nnc2ccc(-c3ccc4cncn4c3)cn12 ZINC001245897438 987125913 /nfs/dbraw/zinc/12/59/13/987125913.db2.gz SKZJSKKSNPVGOD-UHFFFAOYSA-N 0 1 249.277 2.352 20 0 BEADMN FCc1cnc(-c2ccc3cncn3c2)nc1 ZINC001245898035 987129770 /nfs/dbraw/zinc/12/97/70/987129770.db2.gz MFIKVQICUYHEGY-UHFFFAOYSA-N 0 1 228.230 2.261 20 0 BEADMN CCCCc1cc(=O)n(CC(F)(F)F)[nH]1 ZINC001245927576 987130214 /nfs/dbraw/zinc/13/02/14/987130214.db2.gz WSWLBMRFAMTZHB-UHFFFAOYSA-N 0 1 222.210 2.494 20 0 BEADMN Cc1ccncc1-n1[nH]c(C2CC2)cc1=O ZINC001245910008 987133581 /nfs/dbraw/zinc/13/35/81/987133581.db2.gz BSPMKJIQMDNSMA-UHFFFAOYSA-N 0 1 215.256 2.159 20 0 BEADMN CCc1cc(=O)n(Cc2ccccc2F)[nH]1 ZINC001245916733 987144089 /nfs/dbraw/zinc/14/40/89/987144089.db2.gz XCKPCMOJTMDUHB-UHFFFAOYSA-N 0 1 220.247 2.339 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1O ZINC001471934082 987145287 /nfs/dbraw/zinc/14/52/87/987145287.db2.gz GJMFKIYQMXFZOL-ZIYJGFGOSA-N 0 1 249.285 2.306 20 0 BEADMN Cc1ccc(-n2[nH]c(C3CC3)cc2=O)cn1 ZINC001245911928 987146484 /nfs/dbraw/zinc/14/64/84/987146484.db2.gz WVEWJWSEFQGMKM-UHFFFAOYSA-N 0 1 215.256 2.159 20 0 BEADMN COCCN1N=C(c2cccc(C)c2)CC1=O ZINC001245920001 987162080 /nfs/dbraw/zinc/16/20/80/987162080.db2.gz OVQVRCBFTFJBIT-UHFFFAOYSA-N 0 1 232.283 2.211 20 0 BEADMN O=c1cc(C2CC(F)(F)C2)[nH]n1C1CC1 ZINC001245925480 987172168 /nfs/dbraw/zinc/17/21/68/987172168.db2.gz UIXOSRWIYMKZLR-UHFFFAOYSA-N 0 1 214.215 2.436 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1-c1ccnc(F)c1 ZINC001245925319 987176812 /nfs/dbraw/zinc/17/68/12/987176812.db2.gz JYVSVYPTHUXTEK-UHFFFAOYSA-N 0 1 233.246 2.380 20 0 BEADMN Cc1cc(=O)n(Cc2ccccc2F)[nH]1 ZINC001245927957 987185620 /nfs/dbraw/zinc/18/56/20/987185620.db2.gz GTSQHJOKKYRYKV-UHFFFAOYSA-N 0 1 206.220 2.085 20 0 BEADMN Cn1[nH]c(Cc2cc(F)c(F)cc2F)cc1=O ZINC001245928539 987185727 /nfs/dbraw/zinc/18/57/27/987185727.db2.gz ASLVCRAYRYJCIG-UHFFFAOYSA-N 0 1 242.200 2.134 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1CCCCO ZINC001245928845 987186133 /nfs/dbraw/zinc/18/61/33/987186133.db2.gz SYCDTWRAOLFRBU-UHFFFAOYSA-N 0 1 224.304 2.019 20 0 BEADMN CC[C@@H](O)Cn1[nH]c(C2CCCC2)cc1=O ZINC001245929063 987187244 /nfs/dbraw/zinc/18/72/44/987187244.db2.gz XQRFTCJRRZUXNV-SNVBAGLBSA-N 0 1 224.304 2.017 20 0 BEADMN Cc1cc(=O)n([C@@H](C)c2cccc(O)c2)[nH]1 ZINC001245928329 987191024 /nfs/dbraw/zinc/19/10/24/987191024.db2.gz UNXPGSSIHPOZAN-VIFPVBQESA-N 0 1 218.256 2.212 20 0 BEADMN CC(C)(C)c1cc(=O)n(-c2cccnc2F)[nH]1 ZINC001245929102 987192043 /nfs/dbraw/zinc/19/20/43/987192043.db2.gz DKGOWEPVHGVGTF-UHFFFAOYSA-N 0 1 235.262 2.410 20 0 BEADMN CCN1N=C(c2ccc(OC)c(OC)c2)CC1=O ZINC001245929363 987193424 /nfs/dbraw/zinc/19/34/24/987193424.db2.gz AXJWGPZNDOCZDU-UHFFFAOYSA-N 0 1 248.282 2.293 20 0 BEADMN CC[C@@H](O)Cn1[nH]c(C2CCCCC2)cc1=O ZINC001245937301 987196357 /nfs/dbraw/zinc/19/63/57/987196357.db2.gz VHBJOFZYXFLAMX-LLVKDONJSA-N 0 1 238.331 2.407 20 0 BEADMN CC[C@H](O)Cn1[nH]c(C2CCCCC2)cc1=O ZINC001245937303 987200875 /nfs/dbraw/zinc/20/08/75/987200875.db2.gz VHBJOFZYXFLAMX-NSHDSACASA-N 0 1 238.331 2.407 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1-c1nccs1 ZINC001245936934 987204890 /nfs/dbraw/zinc/20/48/90/987204890.db2.gz MHZYTLSLLPTXPW-UHFFFAOYSA-N 0 1 235.312 2.377 20 0 BEADMN CCCCCc1cc(=O)n(CCCCO)[nH]1 ZINC001245943181 987217849 /nfs/dbraw/zinc/21/78/49/987217849.db2.gz PLQPKSJVUAMRNY-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN CCCCCc1cc(=O)n(C[C@H](O)CC)[nH]1 ZINC001245942045 987221151 /nfs/dbraw/zinc/22/11/51/987221151.db2.gz CFLOSZGPJHMVKZ-LLVKDONJSA-N 0 1 226.320 2.092 20 0 BEADMN CC(C)CN1N=C(c2ccccc2N)CC1=O ZINC001245944518 987221991 /nfs/dbraw/zinc/22/19/91/987221991.db2.gz ANMIHFBMTRUAGH-UHFFFAOYSA-N 0 1 231.299 2.494 20 0 BEADMN CC(C)CN1N=C(c2cccc(N)c2)CC1=O ZINC001245949591 987223041 /nfs/dbraw/zinc/22/30/41/987223041.db2.gz WPJMVPPHRYPZBC-UHFFFAOYSA-N 0 1 231.299 2.494 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@@H](C)OC[C@H]1C ZINC001256427721 987223107 /nfs/dbraw/zinc/22/31/07/987223107.db2.gz YVJHSOXLTNNYJH-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1CC1CCC1 ZINC001245952580 987235791 /nfs/dbraw/zinc/23/57/91/987235791.db2.gz CKOSIQVQXQUFON-UHFFFAOYSA-N 0 1 206.289 2.341 20 0 BEADMN Cc1ccc(-n2[nH]c(CC3CC3)cc2=O)cn1 ZINC001245954279 987241992 /nfs/dbraw/zinc/24/19/92/987241992.db2.gz ZHMGAQINXFGBDC-UHFFFAOYSA-N 0 1 229.283 2.234 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc([C@H]2CCCc3[nH]cnc32)o1 ZINC001256661078 987266062 /nfs/dbraw/zinc/26/60/62/987266062.db2.gz YWNZMIWOQHGKPN-HRDYMLBCSA-N 0 1 244.298 2.384 20 0 BEADMN CN[C@@H](C)c1cn(C[C@H]2CC3CCC2CC3)nn1 ZINC000691726072 987288498 /nfs/dbraw/zinc/28/84/98/987288498.db2.gz ZNPIAEWBZNKUAP-YWPUVAFDSA-N 0 1 248.374 2.385 20 0 BEADMN CC(=O)Nc1cccc(NCc2cc(C)[nH]n2)c1 ZINC001116067521 987434464 /nfs/dbraw/zinc/43/44/64/987434464.db2.gz GLKVKVGYVXKZDM-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN C[C@@H]1[C@H](C(F)(F)F)CCN1CC1=NOCC1 ZINC001473438731 987435469 /nfs/dbraw/zinc/43/54/69/987435469.db2.gz QUZPWKAHPVBQRZ-VXNVDRBHSA-N 0 1 236.237 2.035 20 0 BEADMN CC[C@@H](C)N1CCN(CC(C)(F)F)CC1 ZINC001473830225 987573029 /nfs/dbraw/zinc/57/30/29/987573029.db2.gz RDTCGUHLDBSZRQ-SNVBAGLBSA-N 0 1 220.307 2.058 20 0 BEADMN Cc1cc(CN2CC(C)(C)C2(C)C)[nH]n1 ZINC001116443790 987580239 /nfs/dbraw/zinc/58/02/39/987580239.db2.gz HPPAQKIJXXTMSY-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1cc(CN2CC(C)(C)C2(C)C)n[nH]1 ZINC001116443790 987580255 /nfs/dbraw/zinc/58/02/55/987580255.db2.gz HPPAQKIJXXTMSY-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1nnc(SCc2cnoc2C2CC2)[nH]1 ZINC001116466574 987594338 /nfs/dbraw/zinc/59/43/38/987594338.db2.gz BHVGGFODFZOFFQ-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN CCc1[nH]c(C[N@H+]2CC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001597385682 987596927 /nfs/dbraw/zinc/59/69/27/987596927.db2.gz WQRRFHCKEAKMNG-CYBMUJFWSA-N 0 1 248.326 2.260 20 0 BEADMN CCc1nc(NC(=O)/C=C2\CC[C@@H](C)C2)n[nH]1 ZINC001116494282 987605603 /nfs/dbraw/zinc/60/56/03/987605603.db2.gz DBVDWOSJKSVPOO-KGOFQHAKSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C2CC[C@@H](C)C2)n1 ZINC001116494282 987605607 /nfs/dbraw/zinc/60/56/07/987605607.db2.gz DBVDWOSJKSVPOO-KGOFQHAKSA-N 0 1 234.303 2.052 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CCNCC2(F)F)C[C@@H]1C ZINC001246210570 987607086 /nfs/dbraw/zinc/60/70/86/987607086.db2.gz JHZFOGNGLAYZRM-RHYQMDGZSA-N 0 1 246.345 2.398 20 0 BEADMN C[C@H]1CN(CCc2ccc(F)cc2)[C@@H](C)CO1 ZINC001116502198 987607191 /nfs/dbraw/zinc/60/71/91/987607191.db2.gz QNQDWCFZCXNGEY-RYUDHWBXSA-N 0 1 237.318 2.477 20 0 BEADMN CCc1[nH]c(C[N@H+]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC001597387027 987611634 /nfs/dbraw/zinc/61/16/34/987611634.db2.gz UKDCLLHQCBTALG-VIFPVBQESA-N 0 1 236.315 2.260 20 0 BEADMN Cc1c(C(=O)N(C)CC(C)C)ccc2cncn21 ZINC001116530268 987619921 /nfs/dbraw/zinc/61/99/21/987619921.db2.gz GOEYVMNBOCFULQ-UHFFFAOYSA-N 0 1 245.326 2.371 20 0 BEADMN CC(C)CCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116609847 987643340 /nfs/dbraw/zinc/64/33/40/987643340.db2.gz OBEKSCZZVSVFNF-GFCCVEGCSA-N 0 1 249.358 2.467 20 0 BEADMN FC(F)(F)C1(NC2CCCCCC2)CNC1 ZINC001246250891 987648494 /nfs/dbraw/zinc/64/84/94/987648494.db2.gz ALCHSZGMNMJOLM-UHFFFAOYSA-N 0 1 236.281 2.203 20 0 BEADMN Cc1cc(CN2CCCC3(CC3)C2)[nH]n1 ZINC001116631884 987652036 /nfs/dbraw/zinc/65/20/36/987652036.db2.gz RAHOTLGZYNBSQM-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN C[C@H]1CCC[C@@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246254970 987653135 /nfs/dbraw/zinc/65/31/35/987653135.db2.gz TXFSCKGYKUMFPR-DTWKUNHWSA-N 0 1 236.281 2.059 20 0 BEADMN CCCCC[C@@H](C)NC1(C(F)(F)F)CNC1 ZINC001246254142 987653384 /nfs/dbraw/zinc/65/33/84/987653384.db2.gz PFIOMRGFVGBNCD-SECBINFHSA-N 0 1 238.297 2.449 20 0 BEADMN ClC=CCNCc1n[nH]c2ccccc12 ZINC001474290354 987675452 /nfs/dbraw/zinc/67/54/52/987675452.db2.gz JDWCJEAPYJSKHI-UTCJRWHESA-N 0 1 221.691 2.405 20 0 BEADMN ClC=CCNCc1[nH]nc2ccccc21 ZINC001474290354 987675456 /nfs/dbraw/zinc/67/54/56/987675456.db2.gz JDWCJEAPYJSKHI-UTCJRWHESA-N 0 1 221.691 2.405 20 0 BEADMN Cc1cc(CN2CCSCC[C@@H]2C)[nH]n1 ZINC001116771113 987702742 /nfs/dbraw/zinc/70/27/42/987702742.db2.gz NTGKYOBTCQZRJK-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN CC(C)(F)CCNCc1ncccc1F ZINC001474618706 987780986 /nfs/dbraw/zinc/78/09/86/987780986.db2.gz AEZVZXVAFOCSNX-UHFFFAOYSA-N 0 1 214.259 2.449 20 0 BEADMN CCc1cc(CNC(=O)c2occ(C)c2C)n[nH]1 ZINC001117110028 987784319 /nfs/dbraw/zinc/78/43/19/987784319.db2.gz BFAUCGPYGSSEDJ-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN CS[C@@H]1CC[C@H](N(C)Cc2ccon2)C1 ZINC001117668669 987854916 /nfs/dbraw/zinc/85/49/16/987854916.db2.gz NTQBAIYUYBBTEI-WDEREUQCSA-N 0 1 226.345 2.391 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NCCN1CC=CC1 ZINC001117753044 987890515 /nfs/dbraw/zinc/89/05/15/987890515.db2.gz YKGKILPYUYIWGS-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN CCC[C@@H](CC)C(=O)N(C)C[C@H]1CCN1CC ZINC001479257102 987896580 /nfs/dbraw/zinc/89/65/80/987896580.db2.gz ZIYUGOLPXJRBEH-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](NC/C=C/C1CC1)c1ccn(C)n1 ZINC001117946056 987964092 /nfs/dbraw/zinc/96/40/92/987964092.db2.gz YOFPJQAYVLKDGO-FSIBCCDJSA-N 0 1 205.305 2.037 20 0 BEADMN CCC[C@H](C)[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246570860 988048137 /nfs/dbraw/zinc/04/81/37/988048137.db2.gz QEMXNLRREUMISR-IUCAKERBSA-N 0 1 224.270 2.141 20 0 BEADMN CCC(=CC(=O)NC1CN(CC(C)C)C1)CC ZINC001494370590 988137426 /nfs/dbraw/zinc/13/74/26/988137426.db2.gz KRQLQQHMHMPELU-UHFFFAOYSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@H](NC1(C)CC1)c1cc2n(n1)CCCC2 ZINC001118238698 988145827 /nfs/dbraw/zinc/14/58/27/988145827.db2.gz OFLPEABJYIGHTL-JTQLQIEISA-N 0 1 219.332 2.423 20 0 BEADMN Cc1occc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001322198418 988155350 /nfs/dbraw/zinc/15/53/50/988155350.db2.gz XIBMQKNCQXTAIO-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1occc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001322198418 988155361 /nfs/dbraw/zinc/15/53/61/988155361.db2.gz XIBMQKNCQXTAIO-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CCc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001597528371 988178914 /nfs/dbraw/zinc/17/89/14/988178914.db2.gz ZZERFZCHSQPWTE-WDNDVIMCSA-N 0 1 245.322 2.011 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CC2CCC2)n[nH]1 ZINC001118391198 988300911 /nfs/dbraw/zinc/30/09/11/988300911.db2.gz HYZPUWQJHZLIDC-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN CC(C)C1(C)CCN(Cc2nnc[nH]2)CC1 ZINC001118557905 988436742 /nfs/dbraw/zinc/43/67/42/988436742.db2.gz LGVDTCUAPLWBKE-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001323264212 988483016 /nfs/dbraw/zinc/48/30/16/988483016.db2.gz WCFKOKHIOBJWEM-AAEUAGOBSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC001323282799 988487477 /nfs/dbraw/zinc/48/74/77/988487477.db2.gz KSELHAMJERPIGJ-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cc([C@@H]2CCCN2Cc2cc(C)[nH]n2)on1 ZINC001323304049 988492432 /nfs/dbraw/zinc/49/24/32/988492432.db2.gz SPIOWICAHKJHHQ-LBPRGKRZSA-N 0 1 246.314 2.352 20 0 BEADMN COc1ccc(OC)c(NCc2cc(C)[nH]n2)c1 ZINC001323345609 988504126 /nfs/dbraw/zinc/50/41/26/988504126.db2.gz ISFKUUBNGKMYKX-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN CCCC[C@@H](C(=O)OCc1nnc[nH]1)C(C)C ZINC001118751710 988549576 /nfs/dbraw/zinc/54/95/76/988549576.db2.gz CSHLJMCXFAJYNK-SNVBAGLBSA-N 0 1 239.319 2.310 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cc(C)n[nH]1 ZINC001323817696 988623675 /nfs/dbraw/zinc/62/36/75/988623675.db2.gz WEBHBGMOVBYKMG-LLVKDONJSA-N 0 1 227.377 2.292 20 0 BEADMN Cc1nnc(SCc2scnc2C)[nH]1 ZINC001323908282 988648598 /nfs/dbraw/zinc/64/85/98/988648598.db2.gz XAWPBKRBNQRYIE-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1n[nH]c(SCc2scnc2C)n1 ZINC001323908282 988648606 /nfs/dbraw/zinc/64/86/06/988648606.db2.gz XAWPBKRBNQRYIE-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN COC[C@H]1CCCN1Cc1nc(C)sc1C ZINC001118854108 988653651 /nfs/dbraw/zinc/65/36/51/988653651.db2.gz DLUZMEIEKPTRCJ-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)n[nH]1 ZINC001323936936 988653976 /nfs/dbraw/zinc/65/39/76/988653976.db2.gz QFBAWVPFKMDXCM-CHWSQXEVSA-N 0 1 249.358 2.108 20 0 BEADMN Cc1cc(CN2CCc3cccc(F)c32)n[nH]1 ZINC001324048989 988681539 /nfs/dbraw/zinc/68/15/39/988681539.db2.gz VZFBOCMLXQPTJA-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CSC[C@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001324111339 988702147 /nfs/dbraw/zinc/70/21/47/988702147.db2.gz HCQLZQYLKQJSHO-NSHDSACASA-N 0 1 239.388 2.293 20 0 BEADMN CSC[C@H]1CCCN(Cc2cc(C)n[nH]2)C1 ZINC001324111339 988702187 /nfs/dbraw/zinc/70/21/87/988702187.db2.gz HCQLZQYLKQJSHO-NSHDSACASA-N 0 1 239.388 2.293 20 0 BEADMN CCN(Cc1nccc(C)n1)C(C)(C)C ZINC001324458640 988846671 /nfs/dbraw/zinc/84/66/71/988846671.db2.gz DOMADUIGEVHQFR-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C(C)(C)C)CC1 ZINC001324496266 988858488 /nfs/dbraw/zinc/85/84/88/988858488.db2.gz RATUAOGDMRISSK-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H](C)C(C)(F)F)n1 ZINC001324504907 988860013 /nfs/dbraw/zinc/86/00/13/988860013.db2.gz AIRDIKPTFAINMO-ZCFIWIBFSA-N 0 1 246.261 2.158 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H](C)C(C)(F)F)n[nH]1 ZINC001324504907 988860016 /nfs/dbraw/zinc/86/00/16/988860016.db2.gz AIRDIKPTFAINMO-ZCFIWIBFSA-N 0 1 246.261 2.158 20 0 BEADMN CNCc1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001247428735 988883074 /nfs/dbraw/zinc/88/30/74/988883074.db2.gz SKGKRXWESVGZRD-UHFFFAOYSA-N 0 1 246.314 2.149 20 0 BEADMN CNCc1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001247431227 988886267 /nfs/dbraw/zinc/88/62/67/988886267.db2.gz DGZVITDFTPIMEJ-UHFFFAOYSA-N 0 1 235.262 2.212 20 0 BEADMN CCOc1ccc(-c2noc([C@H](C)NC)n2)cc1 ZINC001247489808 988897649 /nfs/dbraw/zinc/89/76/49/988897649.db2.gz ICKYASKGDJAIGZ-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN c1snnc1CN[C@H]1CC[C@H]1C1CCC1 ZINC001119303593 988907042 /nfs/dbraw/zinc/90/70/42/988907042.db2.gz DJFPXIMJRKJZEQ-QWRGUYRKSA-N 0 1 223.345 2.206 20 0 BEADMN COc1cccc2c1CN(Cc1cc(C)[nH]n1)C2 ZINC001119304058 988913878 /nfs/dbraw/zinc/91/38/78/988913878.db2.gz OEMQQNJWMLRUHP-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN CC/C=C\CNCc1c(Cl)nc(OC)n1C ZINC001324661558 988917324 /nfs/dbraw/zinc/91/73/24/988917324.db2.gz DPWQXPLABRSWNL-WAYWQWQTSA-N 0 1 243.738 2.138 20 0 BEADMN CCC[C@H]1CCCN1C(=O)c1cc(C)[nH]n1 ZINC001514711148 988928677 /nfs/dbraw/zinc/92/86/77/988928677.db2.gz QBJZEQJBOWAXRD-JTQLQIEISA-N 0 1 221.304 2.123 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)[C@H](C)C1 ZINC001599848442 988973487 /nfs/dbraw/zinc/97/34/87/988973487.db2.gz KXNHGNAMNCTRMX-KYXWUPHJSA-N 0 1 247.285 2.073 20 0 BEADMN c1cnc(-c2noc([C@@H]3CCN3)n2)c(C2CC2)c1 ZINC001247675789 988974060 /nfs/dbraw/zinc/97/40/60/988974060.db2.gz NFWMFWLQBZCVDR-JTQLQIEISA-N 0 1 242.282 2.043 20 0 BEADMN COc1ccc(-c2noc([C@@H]3CCN3)n2)c(C)c1 ZINC001247677440 988976320 /nfs/dbraw/zinc/97/63/20/988976320.db2.gz YCIZDQMAFKWZHR-NSHDSACASA-N 0 1 245.282 2.088 20 0 BEADMN Fc1ccc(-c2noc([C@@H]3CCN3)n2)c(F)c1 ZINC001247676366 988979560 /nfs/dbraw/zinc/97/95/60/988979560.db2.gz DLLSGJJICZSYKN-VIFPVBQESA-N 0 1 237.209 2.049 20 0 BEADMN C[C@@H]1CC[C@@H](c2nc(-c3ccncc3)no2)NC1 ZINC001247817527 989028693 /nfs/dbraw/zinc/02/86/93/989028693.db2.gz IRXDUURGTDWBNB-KOLCDFICSA-N 0 1 244.298 2.192 20 0 BEADMN C[C@@H](C1CC1)N(C)c1nc(N)nc2c1CCCC2 ZINC001515339343 989030026 /nfs/dbraw/zinc/03/00/26/989030026.db2.gz HZJGUSQMUWDICL-VIFPVBQESA-N 0 1 246.358 2.172 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CCC1(C)C ZINC001515391271 989042833 /nfs/dbraw/zinc/04/28/33/989042833.db2.gz IJSXXRWWXSUWKD-QMMMGPOBSA-N 0 1 208.261 2.064 20 0 BEADMN Cc1coc(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC001119443271 989076783 /nfs/dbraw/zinc/07/67/83/989076783.db2.gz LGMCSWWVKRFTLJ-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN Cc1coc(CN2CCCOC[C@H]2C)c1 ZINC001119443271 989076794 /nfs/dbraw/zinc/07/67/94/989076794.db2.gz LGMCSWWVKRFTLJ-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CC1=CCCN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001325092701 989080916 /nfs/dbraw/zinc/08/09/16/989080916.db2.gz VLMAXLNAJNIJST-UHFFFAOYSA-N 0 1 233.315 2.325 20 0 BEADMN Cc1nc([C@H](C)NCc2cccn2C2CC2)n[nH]1 ZINC001119448381 989082003 /nfs/dbraw/zinc/08/20/03/989082003.db2.gz HOGOBZJHEANFJH-VIFPVBQESA-N 0 1 245.330 2.100 20 0 BEADMN Fc1cc(F)cc(-c2noc([C@@H]3C=CCN3)n2)c1 ZINC001248230430 989085008 /nfs/dbraw/zinc/08/50/08/989085008.db2.gz YQFVTMYMXQOERT-JTQLQIEISA-N 0 1 249.220 2.215 20 0 BEADMN Fc1cccc(-c2noc([C@H]3CCN3)n2)c1F ZINC001248286477 989085112 /nfs/dbraw/zinc/08/51/12/989085112.db2.gz ZXQVQVUMLZUKHX-MRVPVSSYSA-N 0 1 237.209 2.049 20 0 BEADMN CCc1cccc(-c2noc([C@H]3CCN3)n2)c1 ZINC001248284389 989089573 /nfs/dbraw/zinc/08/95/73/989089573.db2.gz KTSGJNKLMROGAA-LLVKDONJSA-N 0 1 229.283 2.333 20 0 BEADMN Cc1ccc2c(CN(C)C3COC3)cccc2n1 ZINC001248569641 989118973 /nfs/dbraw/zinc/11/89/73/989118973.db2.gz YHAQJVKISRHWSO-UHFFFAOYSA-N 0 1 242.322 2.374 20 0 BEADMN Cc1noc2ccc(C[N@H+]3CC[C@@](C)(O)C3)cc12 ZINC001248690632 989125104 /nfs/dbraw/zinc/12/51/04/989125104.db2.gz MUKUUHYKWNJQJS-CQSZACIVSA-N 0 1 246.310 2.093 20 0 BEADMN CCC1CN(C(=O)c2ccc3cncn3c2C)C1 ZINC001325245482 989130664 /nfs/dbraw/zinc/13/06/64/989130664.db2.gz YRPKIHFWCJHCJJ-UHFFFAOYSA-N 0 1 243.310 2.125 20 0 BEADMN C[C@]1(c2nc(-c3cccc(F)c3)no2)CCN1 ZINC001248721536 989135399 /nfs/dbraw/zinc/13/53/99/989135399.db2.gz IUXIRCZJZMGVSV-GFCCVEGCSA-N 0 1 233.246 2.084 20 0 BEADMN C[C@]1(c2nc(-c3ccccc3F)no2)CCN1 ZINC001248721959 989135897 /nfs/dbraw/zinc/13/58/97/989135897.db2.gz PXSOLXQNJXQMLI-GFCCVEGCSA-N 0 1 233.246 2.084 20 0 BEADMN Cc1ccc(F)c(-c2noc([C@]3(C)CCN3)n2)c1 ZINC001248722130 989136086 /nfs/dbraw/zinc/13/60/86/989136086.db2.gz RNDOMMGAFYXUDA-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN C[C@@]1(c2nc(-c3ccccc3F)no2)CCN1 ZINC001248721960 989136984 /nfs/dbraw/zinc/13/69/84/989136984.db2.gz PXSOLXQNJXQMLI-LBPRGKRZSA-N 0 1 233.246 2.084 20 0 BEADMN Cc1cc(F)cc(-c2noc([C@@]3(C)CCN3)n2)c1 ZINC001248721993 989138066 /nfs/dbraw/zinc/13/80/66/989138066.db2.gz QRUFZFBUUDURNR-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cc(-c2noc([C@]3(C)CCN3)n2)ccc1F ZINC001248722174 989138266 /nfs/dbraw/zinc/13/82/66/989138266.db2.gz SYFFZYJAKAEDOY-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN CC[C@H](C)C[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119535953 989138553 /nfs/dbraw/zinc/13/85/53/989138553.db2.gz BXSWUNQNOLNMMV-IUCAKERBSA-N 0 1 242.344 2.122 20 0 BEADMN CC[C@@H](C)C[C@@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001119535954 989139196 /nfs/dbraw/zinc/13/91/96/989139196.db2.gz BXSWUNQNOLNMMV-RKDXNWHRSA-N 0 1 242.344 2.122 20 0 BEADMN Clc1cnc(N[C@H]2CN3CCC2CC3)s1 ZINC001516166890 989142426 /nfs/dbraw/zinc/14/24/26/989142426.db2.gz SOBPFTJXCFVHQU-QMMMGPOBSA-N 0 1 243.763 2.303 20 0 BEADMN Cc1ccc2nc(CN3CC(F)C3)[nH]c2c1 ZINC001248839836 989190376 /nfs/dbraw/zinc/19/03/76/989190376.db2.gz ZLAZGIXNPHEIMV-UHFFFAOYSA-N 0 1 219.263 2.025 20 0 BEADMN C[C@@H]1C[C@@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC001325467940 989192516 /nfs/dbraw/zinc/19/25/16/989192516.db2.gz FDEJMOGSSFPBFU-MIMYLULJSA-N 0 1 233.315 2.002 20 0 BEADMN C(c1nc([C@H]2CN3CCC2CC3)no1)C1CCC1 ZINC001325470694 989192787 /nfs/dbraw/zinc/19/27/87/989192787.db2.gz QMWQXFNWOARZHF-LBPRGKRZSA-N 0 1 247.342 2.221 20 0 BEADMN Cc1ccc2nc(CN3C[C@@H]4C[C@@H]4C3)[nH]c2c1 ZINC001248840290 989192841 /nfs/dbraw/zinc/19/28/41/989192841.db2.gz PQHKGWKBOQLPJH-PHIMTYICSA-N 0 1 227.311 2.323 20 0 BEADMN Cc1ccc2nc(CN3CCO[C@H](C)C3)[nH]c2c1 ZINC001248840287 989193719 /nfs/dbraw/zinc/19/37/19/989193719.db2.gz PMXOQYVRMAZHLZ-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN C[C@@H](NC1(C)CC1)c1cc2n(n1)CCC2 ZINC001325574941 989211693 /nfs/dbraw/zinc/21/16/93/989211693.db2.gz SCGLRPHAHVSNNM-SECBINFHSA-N 0 1 205.305 2.032 20 0 BEADMN Cc1cc(C)nc(CN2CCC[C@H]2C)n1 ZINC001248933057 989218337 /nfs/dbraw/zinc/21/83/37/989218337.db2.gz MZFXSMKXSICCRF-LLVKDONJSA-N 0 1 205.305 2.078 20 0 BEADMN Cc1cc(C)nc(CN2CCC[C@H](C)C2)n1 ZINC001248933204 989220476 /nfs/dbraw/zinc/22/04/76/989220476.db2.gz SIEXDOKJCPYVQJ-JTQLQIEISA-N 0 1 219.332 2.325 20 0 BEADMN CCNCc1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001249133032 989258684 /nfs/dbraw/zinc/25/86/84/989258684.db2.gz OHMUPQDEIHRMOA-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN CC[C@](C)(N)c1nc(-c2cncc(C)c2)no1 ZINC001249281905 989270815 /nfs/dbraw/zinc/27/08/15/989270815.db2.gz FFJDSGGSMYDDTA-LBPRGKRZSA-N 0 1 232.287 2.024 20 0 BEADMN CC(C)(C)c1c[nH]c(CN2CCC[C@H](O)C2)c1 ZINC001249476119 989285858 /nfs/dbraw/zinc/28/58/58/989285858.db2.gz FPPQNCDRUNXRLP-ZDUSSCGKSA-N 0 1 236.359 2.269 20 0 BEADMN CC(C)(C)c1c[nH]c(CN2CC(C3COC3)C2)c1 ZINC001249476160 989288214 /nfs/dbraw/zinc/28/82/14/989288214.db2.gz GTPTUKIPDOOFFK-UHFFFAOYSA-N 0 1 248.370 2.390 20 0 BEADMN CC(C)(C)c1c[nH]c(CN2CCC[C@@H](O)C2)c1 ZINC001249476118 989289493 /nfs/dbraw/zinc/28/94/93/989289493.db2.gz FPPQNCDRUNXRLP-CYBMUJFWSA-N 0 1 236.359 2.269 20 0 BEADMN Cc1cc(CNc2ccc3oc(=O)[nH]c3c2)n[nH]1 ZINC001325875655 989293687 /nfs/dbraw/zinc/29/36/87/989293687.db2.gz YNNBNVMUJNWECZ-UHFFFAOYSA-N 0 1 244.254 2.177 20 0 BEADMN CCN(CN1C(=O)CC1(C)C)C1CC(C)(C)C1 ZINC001326025216 989333700 /nfs/dbraw/zinc/33/37/00/989333700.db2.gz NDPMFIVYRVRVJK-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN CC(C)n1cc([C@H](C)NC2(C)CC2)nn1 ZINC001119701936 989348263 /nfs/dbraw/zinc/34/82/63/989348263.db2.gz UVQPEYWJMYBZHB-VIFPVBQESA-N 0 1 208.309 2.062 20 0 BEADMN CC[C@H](CO)NC1(c2nc(C)cs2)CCC1 ZINC001119732537 989372796 /nfs/dbraw/zinc/37/27/96/989372796.db2.gz MAYYVIFAEPTDAS-SNVBAGLBSA-N 0 1 240.372 2.191 20 0 BEADMN CC(C)OC[C@@H]1CN(CC2CC(C)C2)CCO1 ZINC001119741141 989379973 /nfs/dbraw/zinc/37/99/73/989379973.db2.gz AQFSCSXBAAHISN-RUXDESIVSA-N 0 1 241.375 2.158 20 0 BEADMN Cc1noc(CCCOc2cc(C)nc(C)c2)n1 ZINC001326147239 989392596 /nfs/dbraw/zinc/39/25/96/989392596.db2.gz LUVBWZOXUCEMSW-UHFFFAOYSA-N 0 1 247.298 2.401 20 0 BEADMN CC[C@H](C(=O)OCC1CSC1)N(CC)CC ZINC001519538254 989430079 /nfs/dbraw/zinc/43/00/79/989430079.db2.gz PBAQBKRSOKRVQH-LLVKDONJSA-N 0 1 245.388 2.013 20 0 BEADMN CC/C(C)=C/C(=O)N1CCN(C(C)(C)C)CC1 ZINC001326418617 989551766 /nfs/dbraw/zinc/55/17/66/989551766.db2.gz UPYODKHTKQHQPV-VAWYXSNFSA-N 0 1 238.375 2.285 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001120362730 989640125 /nfs/dbraw/zinc/64/01/25/989640125.db2.gz MIDLVMNJKJSDFD-QNWHQSFQSA-N 0 1 237.343 2.219 20 0 BEADMN CCCCNc1ccc(N2CCN(C)CC2)nc1 ZINC001120388196 989649911 /nfs/dbraw/zinc/64/99/11/989649911.db2.gz RZGNBHCCAQWUEI-UHFFFAOYSA-N 0 1 248.374 2.045 20 0 BEADMN c1[nH]nnc1CCOCc1ccccc1C1CC1 ZINC001326796320 989718721 /nfs/dbraw/zinc/71/87/21/989718721.db2.gz UCISWERVMQFIFL-UHFFFAOYSA-N 0 1 243.310 2.441 20 0 BEADMN CCC[C@](C)(CC)C(=O)NCCN1CC=CC1 ZINC001326835429 989735449 /nfs/dbraw/zinc/73/54/49/989735449.db2.gz JRKRCSBQBXRIHK-AWEZNQCLSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@@H]2CC=CCC2)c1C ZINC001521892920 989813898 /nfs/dbraw/zinc/81/38/98/989813898.db2.gz GVITZZGMXLTILI-GFCCVEGCSA-N 0 1 247.342 2.389 20 0 BEADMN CC[C@H](F)C(=O)Nc1cc(C(C)=O)ccc1O ZINC001120716799 989845270 /nfs/dbraw/zinc/84/52/70/989845270.db2.gz MLMYYSWJESGHPU-VIFPVBQESA-N 0 1 239.246 2.281 20 0 BEADMN CC[C@@H](F)C(=O)Nc1cc(C(C)=O)ccc1O ZINC001120716798 989845814 /nfs/dbraw/zinc/84/58/14/989845814.db2.gz MLMYYSWJESGHPU-SECBINFHSA-N 0 1 239.246 2.281 20 0 BEADMN CC(C)CC1CCN(c2nccnc2CN)CC1 ZINC001120824246 989905182 /nfs/dbraw/zinc/90/51/82/989905182.db2.gz MKOIUBWLGQJEMZ-UHFFFAOYSA-N 0 1 248.374 2.198 20 0 BEADMN C[C@@H](Nc1ccnc(N)n1)C1CCC(F)CC1 ZINC001120863045 989931875 /nfs/dbraw/zinc/93/18/75/989931875.db2.gz QGWZDGWGHOBZDB-XNWIYYODSA-N 0 1 238.310 2.388 20 0 BEADMN Cc1cccc(C)c1CCNc1ccnc(N)n1 ZINC001120911501 989961177 /nfs/dbraw/zinc/96/11/77/989961177.db2.gz USNRAUWTALTGOG-UHFFFAOYSA-N 0 1 242.326 2.330 20 0 BEADMN CSCC1(CCNc2ccnc(N)n2)CC1 ZINC001120946509 989983446 /nfs/dbraw/zinc/98/34/46/989983446.db2.gz PLDZDBLYUYUMAV-UHFFFAOYSA-N 0 1 238.360 2.004 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@H]2C=CCC2)n[nH]1 ZINC001525873061 990083920 /nfs/dbraw/zinc/08/39/20/990083920.db2.gz KPVXLLGBNPNZEM-SCZZXKLOSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001526024810 990105553 /nfs/dbraw/zinc/10/55/53/990105553.db2.gz OQAJVBGZKKRKJA-OUAUKWLOSA-N 0 1 234.299 2.311 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001604924023 990367987 /nfs/dbraw/zinc/36/79/87/990367987.db2.gz LVKITZLTTOZUGV-NGZCFLSTSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)(CC[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C1CC1 ZINC001590670806 990375952 /nfs/dbraw/zinc/37/59/52/990375952.db2.gz HODGSJLVRIGDJI-GDNZZTSVSA-N 0 1 237.343 2.075 20 0 BEADMN CC(C)(CF)[NH2+]Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001590701237 990416651 /nfs/dbraw/zinc/41/66/51/990416651.db2.gz HZQNAVMEPDWEMT-AATRIKPKSA-N 0 1 241.262 2.215 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)O[C@@H]3C=CCC3)c2C1 ZINC001122738005 990441542 /nfs/dbraw/zinc/44/15/42/990441542.db2.gz OYRCADNJZHRBJG-NXEZZACHSA-N 0 1 246.310 2.410 20 0 BEADMN Cc1cc(CCC(=O)N[C@H]2CCCC[C@H]2C)n[nH]1 ZINC001538551765 990535343 /nfs/dbraw/zinc/53/53/43/990535343.db2.gz JLFZYTMSCYKSQS-MFKMUULPSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC001538551766 990535768 /nfs/dbraw/zinc/53/57/68/990535768.db2.gz JLFZYTMSCYKSQS-ZWNOBZJWSA-N 0 1 249.358 2.346 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccoc1)N(C)C ZINC001123383324 990571251 /nfs/dbraw/zinc/57/12/51/990571251.db2.gz XRQKFVCAHGDFJW-CMPLNLGQSA-N 0 1 239.315 2.470 20 0 BEADMN Cc1[nH]nc(CNC(=O)C=C2CCCC2)c1C ZINC001123900905 990695713 /nfs/dbraw/zinc/69/57/13/990695713.db2.gz FXSWIQXAZDIFIG-UHFFFAOYSA-N 0 1 233.315 2.143 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)c1[nH]ncc1F ZINC001543997928 990708184 /nfs/dbraw/zinc/70/81/84/990708184.db2.gz RYUKUNGAHXHROD-MRVPVSSYSA-N 0 1 241.310 2.493 20 0 BEADMN CCC(C)(C)N(C)C(=O)CCc1cc(C)[nH]n1 ZINC001556473544 990829317 /nfs/dbraw/zinc/82/93/17/990829317.db2.gz CMOSZBQJBPTRBA-UHFFFAOYSA-N 0 1 237.347 2.298 20 0 BEADMN Fc1ccc(CN2C[C@H]3[C@H](CC3(F)F)C2)cn1 ZINC001137736303 990845088 /nfs/dbraw/zinc/84/50/88/990845088.db2.gz IKYMVDNKJUQPRJ-ZJUUUORDSA-N 0 1 242.244 2.308 20 0 BEADMN CCOC(=O)c1[nH]c(C)c(CN2CCC2)c1C ZINC001138132915 990885859 /nfs/dbraw/zinc/88/58/59/990885859.db2.gz WCAHMEXKKNHKLU-UHFFFAOYSA-N 0 1 236.315 2.014 20 0 BEADMN CCCCC1CCN(Cc2cnc(N)nc2)CC1 ZINC001138160897 990892352 /nfs/dbraw/zinc/89/23/52/990892352.db2.gz DEJBXVRODKAAIT-UHFFFAOYSA-N 0 1 248.374 2.461 20 0 BEADMN C[C@]1(CF)CCN(Cc2cc(O)cc(O)c2)C1 ZINC001138324056 990913901 /nfs/dbraw/zinc/91/39/01/990913901.db2.gz HWXOOQAESQVNMP-CYBMUJFWSA-N 0 1 239.290 2.279 20 0 BEADMN Cc1cnc(NC(=O)c2c(O)cccc2F)o1 ZINC001558189272 990928268 /nfs/dbraw/zinc/92/82/68/990928268.db2.gz GIMJGINJOCNXMC-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001138391469 990931620 /nfs/dbraw/zinc/93/16/20/990931620.db2.gz MFVMLDOBBQSATR-SNVBAGLBSA-N 0 1 224.279 2.111 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001138391469 990931623 /nfs/dbraw/zinc/93/16/23/990931623.db2.gz MFVMLDOBBQSATR-SNVBAGLBSA-N 0 1 224.279 2.111 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ncccc2[O-])C2(CC2)C1 ZINC001138396386 990933953 /nfs/dbraw/zinc/93/39/53/990933953.db2.gz SPTHALFDGIGFFK-JTQLQIEISA-N 0 1 218.300 2.162 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ncccc2[O-])C2(CC2)C1 ZINC001138396386 990933962 /nfs/dbraw/zinc/93/39/62/990933962.db2.gz SPTHALFDGIGFFK-JTQLQIEISA-N 0 1 218.300 2.162 20 0 BEADMN Cc1c2cc(F)ccc2[nH]c1CN1CC(CO)C1 ZINC001138411540 990940163 /nfs/dbraw/zinc/94/01/63/990940163.db2.gz BJMUIZBGFUQKRW-UHFFFAOYSA-N 0 1 248.301 2.040 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCCC[C@H]2C)[nH]1 ZINC001558497331 990948728 /nfs/dbraw/zinc/94/87/28/990948728.db2.gz KDSKOXBRNUFTEC-PWSUYJOCSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CCO[C@@H](CO)C1 ZINC001258062677 990953546 /nfs/dbraw/zinc/95/35/46/990953546.db2.gz LFLTUSBUQNSEAH-BFHYXJOUSA-N 0 1 243.391 2.140 20 0 BEADMN Cc1cc([C@H]2CCCCN2C(=O)CCF)n[nH]1 ZINC001558570101 990966984 /nfs/dbraw/zinc/96/69/84/990966984.db2.gz OQMXATFVMYSRAN-LLVKDONJSA-N 0 1 239.294 2.131 20 0 BEADMN Cc1cc(C(=O)NCc2cnc(C(C)C)[nH]2)co1 ZINC001558560964 990969276 /nfs/dbraw/zinc/96/92/76/990969276.db2.gz PSWFOZSQCLBADL-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CC[C@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001558589936 990972142 /nfs/dbraw/zinc/97/21/42/990972142.db2.gz QVJZFRGSECDLKC-VIFPVBQESA-N 0 1 217.272 2.319 20 0 BEADMN Cc1n[nH]c(C)c1CN[C@@H]1CCCC[C@@H]1F ZINC001308483366 991007235 /nfs/dbraw/zinc/00/72/35/991007235.db2.gz RFIPPXDLDGWTRB-NWDGAFQWSA-N 0 1 225.311 2.397 20 0 BEADMN CNc1ncccc1CN1CC2(C1)CCCC2 ZINC001138689940 991007785 /nfs/dbraw/zinc/00/77/85/991007785.db2.gz QTSZSPADGRFGRS-UHFFFAOYSA-N 0 1 231.343 2.499 20 0 BEADMN Cc1cc(CNc2ccc3c[nH]nc3c2)nn1C ZINC001308502453 991009489 /nfs/dbraw/zinc/00/94/89/991009489.db2.gz ZUDDIXRCBQJRHT-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN COC1(C)CCN(Cc2cccnc2F)CC1 ZINC001138782985 991037462 /nfs/dbraw/zinc/03/74/62/991037462.db2.gz JLUFIQAGJUDCQT-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1cc(CN(C)CCn2cccn2)cc(C)n1 ZINC001308568039 991041344 /nfs/dbraw/zinc/04/13/44/991041344.db2.gz PLTDHQXVSDNZKP-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN CC[C@@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001308584159 991047516 /nfs/dbraw/zinc/04/75/16/991047516.db2.gz SOSAEBXSKYVQFE-LLVKDONJSA-N 0 1 219.332 2.450 20 0 BEADMN CCCn1cc(CN2CC=CCC2)c(C)n1 ZINC001308641897 991053589 /nfs/dbraw/zinc/05/35/89/991053589.db2.gz NKOCWEANAKCHII-UHFFFAOYSA-N 0 1 219.332 2.363 20 0 BEADMN CN(CCC1CC1)Cc1cccnc1F ZINC001138793669 991055626 /nfs/dbraw/zinc/05/56/26/991055626.db2.gz KNXRPIBOUSJMDK-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CO[C@@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001308618092 991065181 /nfs/dbraw/zinc/06/51/81/991065181.db2.gz GMJBMVFGCFMPBF-SNVBAGLBSA-N 0 1 230.258 2.104 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2ccnn21 ZINC001138807376 991065968 /nfs/dbraw/zinc/06/59/68/991065968.db2.gz CVXNSGXNXBPTBG-BPNCWPANSA-N 0 1 245.301 2.267 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1cccc2ccnn21 ZINC001138807376 991065978 /nfs/dbraw/zinc/06/59/78/991065978.db2.gz CVXNSGXNXBPTBG-BPNCWPANSA-N 0 1 245.301 2.267 20 0 BEADMN c1[nH]nnc1CCSc1ccccc1 ZINC001559327507 991071928 /nfs/dbraw/zinc/07/19/28/991071928.db2.gz IENCOMWIMRBEBA-UHFFFAOYSA-N 0 1 205.286 2.140 20 0 BEADMN COc1cccnc1CN[C@@H](C)Cc1ccco1 ZINC001258176655 991074481 /nfs/dbraw/zinc/07/44/81/991074481.db2.gz DCCMBASUMBZRMH-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCCC(=O)CC1 ZINC001258188346 991098519 /nfs/dbraw/zinc/09/85/19/991098519.db2.gz JYRNOBHKBGVGGU-NSHDSACASA-N 0 1 221.300 2.266 20 0 BEADMN c1[nH]nnc1CSc1nc2ncccc2s1 ZINC001559451684 991110250 /nfs/dbraw/zinc/11/02/50/991110250.db2.gz PUEDDRKNBJMIMC-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN C[C@H](Cc1ccco1)N1CCOCC12CCC2 ZINC001258195030 991113127 /nfs/dbraw/zinc/11/31/27/991113127.db2.gz NBGGCUBALDYPIO-GFCCVEGCSA-N 0 1 235.327 2.466 20 0 BEADMN Clc1cnc2[nH]ccc2c1CN1CCC1 ZINC001138947055 991113575 /nfs/dbraw/zinc/11/35/75/991113575.db2.gz MOJACAKAHXKQBI-UHFFFAOYSA-N 0 1 221.691 2.374 20 0 BEADMN CCc1coc(CN[C@H](C)CCSC)n1 ZINC001258198437 991114636 /nfs/dbraw/zinc/11/46/36/991114636.db2.gz KWNWFSORWPGAAX-SECBINFHSA-N 0 1 228.361 2.468 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC001308738333 991116166 /nfs/dbraw/zinc/11/61/66/991116166.db2.gz JTPNKUZCIKYRMW-GRLWKWRFSA-N 0 1 221.304 2.217 20 0 BEADMN CSCC[C@H](C)NCc1nccc(Cl)n1 ZINC001258205648 991122553 /nfs/dbraw/zinc/12/25/53/991122553.db2.gz KVKUDSCSDUELEY-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN CC[C@@H]1CCC[C@H](CN2CC(=O)N[C@H](C)C2)C1 ZINC001308778314 991132535 /nfs/dbraw/zinc/13/25/35/991132535.db2.gz ILCKAKDNLFFSJB-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN c1cnc(Oc2ccc(CN3CCC3)cc2)nc1 ZINC001139076998 991137311 /nfs/dbraw/zinc/13/73/11/991137311.db2.gz WUGCWFMZCSEREI-UHFFFAOYSA-N 0 1 241.294 2.475 20 0 BEADMN CSCC[C@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001258214155 991139326 /nfs/dbraw/zinc/13/93/26/991139326.db2.gz GQJJXTGIFCZTFK-VHSXEESVSA-N 0 1 233.352 2.131 20 0 BEADMN Cc1n[nH]c(C)c1CN1CCCC[C@@H](F)C1 ZINC001139094495 991144179 /nfs/dbraw/zinc/14/41/79/991144179.db2.gz JHJGUKMCEXQYMP-LLVKDONJSA-N 0 1 225.311 2.351 20 0 BEADMN COc1ccc(CN2CCC3(CC3)C2)nc1OC ZINC001139102825 991146828 /nfs/dbraw/zinc/14/68/28/991146828.db2.gz YQSZKEBSXKOADA-UHFFFAOYSA-N 0 1 248.326 2.085 20 0 BEADMN COc1ccc(CN2CCC[C@H]2C)nc1OC ZINC001139099530 991150147 /nfs/dbraw/zinc/15/01/47/991150147.db2.gz AGRQEDBCKJMJBZ-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN CCN(Cc1cccc2c1ccn2C)C1COC1 ZINC001139159005 991173764 /nfs/dbraw/zinc/17/37/64/991173764.db2.gz GEJQVMFYSQWDAZ-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN Cc1nnc(CN)n1C1CCCCCCC1 ZINC001258237065 991178051 /nfs/dbraw/zinc/17/80/51/991178051.db2.gz ZGYSTWRSGJEEEQ-UHFFFAOYSA-N 0 1 222.336 2.331 20 0 BEADMN CN(Cc1ccc2cccnc2c1)C1(C)COC1 ZINC001139168760 991180628 /nfs/dbraw/zinc/18/06/28/991180628.db2.gz WGEADHBAJOBVGZ-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CC1(C)CN(Cc2ccc3nonc3c2)C1 ZINC001139217649 991197345 /nfs/dbraw/zinc/19/73/45/991197345.db2.gz XIKJLMBRLAOAPW-UHFFFAOYSA-N 0 1 217.272 2.065 20 0 BEADMN CC(=O)OC1CN([C@H]2CCCC(C)(C)C2)C1 ZINC001258287781 991221159 /nfs/dbraw/zinc/22/11/59/991221159.db2.gz CTDNMWDEDVLRND-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN CC1(C)CCC[C@H](N2CCNCC(F)(F)C2)C1 ZINC001258285444 991222664 /nfs/dbraw/zinc/22/26/64/991222664.db2.gz LYPTYNIFTAKUPI-NSHDSACASA-N 0 1 246.345 2.496 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@@H]1CCCOC1 ZINC001559737629 991231681 /nfs/dbraw/zinc/23/16/81/991231681.db2.gz KYSCITVGRLZAKI-KXUCPTDWSA-N 0 1 241.360 2.004 20 0 BEADMN Fc1ccc([C@H]2CCN2Cc2cnc[nH]2)cc1 ZINC001308966828 991238434 /nfs/dbraw/zinc/23/84/34/991238434.db2.gz BRJCNLTYCBHNAM-CYBMUJFWSA-N 0 1 231.274 2.496 20 0 BEADMN CSC(C)(C)C[C@H](C)NCc1ncccn1 ZINC001258320134 991243468 /nfs/dbraw/zinc/24/34/68/991243468.db2.gz LZTOZQPZEAJWKF-JTQLQIEISA-N 0 1 239.388 2.486 20 0 BEADMN CCN(Cc1cccnc1)Cc1ccc(=O)[nH]c1 ZINC001139468746 991250431 /nfs/dbraw/zinc/25/04/31/991250431.db2.gz QXUCSQGNEWCHML-UHFFFAOYSA-N 0 1 243.310 2.204 20 0 BEADMN CSC(C)(C)C[C@@H](C)NCc1nnc(C)o1 ZINC001258326084 991252172 /nfs/dbraw/zinc/25/21/72/991252172.db2.gz DHZBGEIISKUICP-MRVPVSSYSA-N 0 1 243.376 2.388 20 0 BEADMN COC1CN([C@@H](C)CC(C)(C)SC)C1 ZINC001258331511 991257436 /nfs/dbraw/zinc/25/74/36/991257436.db2.gz PCIZFQMWWZSGQA-VIFPVBQESA-N 0 1 217.378 2.237 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cc(Cl)ccn1 ZINC001139559834 991274376 /nfs/dbraw/zinc/27/43/76/991274376.db2.gz QRGNVFLEHYBHNR-CABZTGNLSA-N 0 1 240.734 2.080 20 0 BEADMN CSC(C)(C)C[C@H](C)N1CCO[C@H]2C[C@H]21 ZINC001258345976 991274646 /nfs/dbraw/zinc/27/46/46/991274646.db2.gz RBSPUXNNRYJXHZ-AXFHLTTASA-N 0 1 229.389 2.380 20 0 BEADMN Fc1cccc2nc(CN3CCC[C@H]4C[C@H]43)cn21 ZINC001139572710 991279728 /nfs/dbraw/zinc/27/97/28/991279728.db2.gz ZFACROUOSFEBAQ-CMPLNLGQSA-N 0 1 245.301 2.458 20 0 BEADMN COc1ccncc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139610648 991296144 /nfs/dbraw/zinc/29/61/44/991296144.db2.gz SIBXZRBHRKAKFX-DLOVCJGASA-N 0 1 236.290 2.023 20 0 BEADMN CC(C)N(CCc1cccc(F)c1)C1COC1 ZINC001559859438 991297553 /nfs/dbraw/zinc/29/75/53/991297553.db2.gz CUYAHROOCUYCQD-UHFFFAOYSA-N 0 1 237.318 2.477 20 0 BEADMN c1c(C[N@H+]2CCC23CCCC3)nc2cnccn12 ZINC001139695966 991322235 /nfs/dbraw/zinc/32/22/35/991322235.db2.gz QWWZIHNBQAUWDJ-UHFFFAOYSA-N 0 1 242.326 2.248 20 0 BEADMN c1c(CN2CCC23CCCC3)nc2cnccn12 ZINC001139695966 991322240 /nfs/dbraw/zinc/32/22/40/991322240.db2.gz QWWZIHNBQAUWDJ-UHFFFAOYSA-N 0 1 242.326 2.248 20 0 BEADMN CC1(C)CCN(Cc2cn3ccncc3n2)CC1 ZINC001139696599 991324012 /nfs/dbraw/zinc/32/40/12/991324012.db2.gz OYMZCHKVQVWLKF-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3ccncc3n2)[C@@H]1C ZINC001139697312 991324839 /nfs/dbraw/zinc/32/48/39/991324839.db2.gz YRAHFFSCGUTFCF-VXGBXAGGSA-N 0 1 244.342 2.350 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1cn2ccncc2n1 ZINC001139696437 991326330 /nfs/dbraw/zinc/32/63/30/991326330.db2.gz LLQWBJRBRLTLHK-NWDGAFQWSA-N 0 1 244.342 2.350 20 0 BEADMN CC12CC(CN3CCC=C(Cl)C3)(C1)CO2 ZINC001559958317 991343391 /nfs/dbraw/zinc/34/33/91/991343391.db2.gz TVQMRPSAPPMLOF-UHFFFAOYSA-N 0 1 227.735 2.384 20 0 BEADMN COc1ccc(CC[C@H](C)N2CC(OC)C2)cc1 ZINC001258398535 991348606 /nfs/dbraw/zinc/34/86/06/991348606.db2.gz XKBVKLGSYBDGIR-LBPRGKRZSA-N 0 1 249.354 2.347 20 0 BEADMN CC1(C)CN(Cc2cnc3cccnc3c2)C1 ZINC001139740939 991353388 /nfs/dbraw/zinc/35/33/88/991353388.db2.gz OVUOSDNBSPHYHW-UHFFFAOYSA-N 0 1 227.311 2.472 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C2CC3(CCC3)C2)n1 ZINC001328561035 991391967 /nfs/dbraw/zinc/39/19/67/991391967.db2.gz AKADBCCOYLKWKX-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC001328561035 991391974 /nfs/dbraw/zinc/39/19/74/991391974.db2.gz AKADBCCOYLKWKX-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN Cc1nonc1CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001560186793 991403785 /nfs/dbraw/zinc/40/37/85/991403785.db2.gz WMJNGOKNOXTVSL-KZVDOYCCSA-N 0 1 247.342 2.246 20 0 BEADMN C[C@H](CC1CC1)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258457383 991410622 /nfs/dbraw/zinc/41/06/22/991410622.db2.gz WQWDEJUFPSLTCY-SNVBAGLBSA-N 0 1 233.311 2.353 20 0 BEADMN CN(CCC1CCCC1)Cc1ccn(C)n1 ZINC001560218837 991422893 /nfs/dbraw/zinc/42/28/93/991422893.db2.gz PZQBHGAJRHQAPV-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN Cc1ccc(CN2CCc3ncccc3C2)cn1 ZINC001139932671 991423156 /nfs/dbraw/zinc/42/31/56/991423156.db2.gz ISCBGPCKBVSLCE-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cn1cncc1C1CCN(C/C=C\Cl)CC1 ZINC001560233694 991431626 /nfs/dbraw/zinc/43/16/26/991431626.db2.gz IVWJOHJTIBKAPM-DJWKRKHSSA-N 0 1 239.750 2.352 20 0 BEADMN CCOC(=O)CN([C@@H](C)CC1CC1)C1CC1 ZINC001258469383 991437195 /nfs/dbraw/zinc/43/71/95/991437195.db2.gz BBQYUCOKMDICBK-JTQLQIEISA-N 0 1 225.332 2.203 20 0 BEADMN CC1(C)CN(Cc2cccnn2)CCC1(F)F ZINC001139970315 991438547 /nfs/dbraw/zinc/43/85/47/991438547.db2.gz RYWNBMPPKYMCQZ-UHFFFAOYSA-N 0 1 241.285 2.344 20 0 BEADMN CCn1ccc(CNCCOc2ccccc2)n1 ZINC001560247189 991442889 /nfs/dbraw/zinc/44/28/89/991442889.db2.gz KYJPTXWAMUYCRE-UHFFFAOYSA-N 0 1 245.326 2.072 20 0 BEADMN Cc1cc(F)ncc1CNCc1cccnc1 ZINC001560249396 991444360 /nfs/dbraw/zinc/44/43/60/991444360.db2.gz GBNDQJVVYIFFLM-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CCOC(=O)CN(CC)[C@H](C)CC1CC1 ZINC001258474069 991444946 /nfs/dbraw/zinc/44/49/46/991444946.db2.gz QNIVELOPGZGZOH-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cccnn1 ZINC001139974282 991449293 /nfs/dbraw/zinc/44/92/93/991449293.db2.gz YYNKCTHGDBUGFF-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN C[C@@H]1CCN(Cc2ccnnc2)CCC1(F)F ZINC001139980340 991451078 /nfs/dbraw/zinc/45/10/78/991451078.db2.gz OSWFMYBZYOHTJF-SNVBAGLBSA-N 0 1 241.285 2.344 20 0 BEADMN CC1(C)CN(Cc2ccnnc2)CCC1(F)F ZINC001139981772 991455441 /nfs/dbraw/zinc/45/54/41/991455441.db2.gz SBNFRQCMTUWVBK-UHFFFAOYSA-N 0 1 241.285 2.344 20 0 BEADMN CCOC(=O)CC[C@H](C)N[C@@H](C)c1ccno1 ZINC001258486723 991456719 /nfs/dbraw/zinc/45/67/19/991456719.db2.gz LPEYZYFVKCXQAY-UWVGGRQHSA-N 0 1 240.303 2.057 20 0 BEADMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccnnc1 ZINC001139984824 991459722 /nfs/dbraw/zinc/45/97/22/991459722.db2.gz BKPMAMNAMXMBBZ-GFCCVEGCSA-N 0 1 239.322 2.423 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1ccnnc1 ZINC001139984824 991459728 /nfs/dbraw/zinc/45/97/28/991459728.db2.gz BKPMAMNAMXMBBZ-GFCCVEGCSA-N 0 1 239.322 2.423 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139984161 991460874 /nfs/dbraw/zinc/46/08/74/991460874.db2.gz XPQSRGZEBGXZRZ-LLVKDONJSA-N 0 1 205.305 2.099 20 0 BEADMN Cc1ccccc1CN(C)Cc1ccnnc1 ZINC001139983582 991462252 /nfs/dbraw/zinc/46/22/52/991462252.db2.gz XAJSSFOETZZDCV-UHFFFAOYSA-N 0 1 227.311 2.417 20 0 BEADMN COCC1CN(Cc2cc3ccccc3cn2)C1 ZINC001139994719 991474669 /nfs/dbraw/zinc/47/46/69/991474669.db2.gz QSUZIJILDYGEIV-UHFFFAOYSA-N 0 1 242.322 2.313 20 0 BEADMN C[C@H]1CC(C)(C)C[C@H]1Nc1n[nH]c(N(C)C)n1 ZINC001560466869 991479262 /nfs/dbraw/zinc/47/92/62/991479262.db2.gz FKRQJJKTZHXFFW-DTWKUNHWSA-N 0 1 237.351 2.107 20 0 BEADMN CCCC1CCC(N2CCN(C)C(=O)C2)CC1 ZINC001258530489 991479544 /nfs/dbraw/zinc/47/95/44/991479544.db2.gz JBTLQZGJKDUOGC-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CCC[C@@H](Nc2n[nH]c(N(C)C)n2)CC1 ZINC001560466811 991480145 /nfs/dbraw/zinc/48/01/45/991480145.db2.gz BYWYLRQYPXRAET-VHSXEESVSA-N 0 1 237.351 2.251 20 0 BEADMN CCCC1CCN(Cc2nccnc2N)CC1 ZINC001140016115 991491524 /nfs/dbraw/zinc/49/15/24/991491524.db2.gz ZACPKRDGCNUBBZ-UHFFFAOYSA-N 0 1 234.347 2.071 20 0 BEADMN C[C@H](COCC1CC1)NCc1cnsc1 ZINC001560524615 991493400 /nfs/dbraw/zinc/49/34/00/991493400.db2.gz STOGGJALQRCMNT-SECBINFHSA-N 0 1 226.345 2.048 20 0 BEADMN CCn1ccc(CNC[C@@H]2CCC3(CCC3)O2)n1 ZINC001560569468 991503664 /nfs/dbraw/zinc/50/36/64/991503664.db2.gz WCFNIFFVZVNPDY-ZDUSSCGKSA-N 0 1 249.358 2.094 20 0 BEADMN OC[C@@H]1CCCN1Cc1ccc(O)cc1Cl ZINC001140082012 991513350 /nfs/dbraw/zinc/51/33/50/991513350.db2.gz JSGURFZCYCYOSU-JTQLQIEISA-N 0 1 241.718 2.002 20 0 BEADMN COc1ccc2n[nH]c(CN3CC[C@@H]3C)c2c1 ZINC001140064876 991513537 /nfs/dbraw/zinc/51/35/37/991513537.db2.gz QKKDCUQLPUZVJN-VIFPVBQESA-N 0 1 231.299 2.166 20 0 BEADMN COc1ccc2n[nH]c(CN3CC[C@H](F)C3)c2c1 ZINC001140065021 991518373 /nfs/dbraw/zinc/51/83/73/991518373.db2.gz WJNLWVVWTHJWTK-VIFPVBQESA-N 0 1 249.289 2.115 20 0 BEADMN Fc1cccc(CN2CCC3(CC3)C2)n1 ZINC001140131178 991532644 /nfs/dbraw/zinc/53/26/44/991532644.db2.gz HFZSHPLWQMJXIN-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN FCC1CCN(Cc2cccc(F)n2)CC1 ZINC001140134340 991538327 /nfs/dbraw/zinc/53/83/27/991538327.db2.gz SDPDAULTGOGERY-UHFFFAOYSA-N 0 1 226.270 2.402 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3cccc(F)n3)C[C@@H]12 ZINC001140135228 991540255 /nfs/dbraw/zinc/54/02/55/991540255.db2.gz YJZFTYNNPOIMCX-CMPLNLGQSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1cc(CN(C)C2(C)COC2)c(C)cc1O ZINC001140201770 991561677 /nfs/dbraw/zinc/56/16/77/991561677.db2.gz ZEXMPVCCZPTOAA-UHFFFAOYSA-N 0 1 235.327 2.230 20 0 BEADMN COC[C@H]1CCN1Cc1c[nH]c2cccc(O)c12 ZINC001140238198 991571585 /nfs/dbraw/zinc/57/15/85/991571585.db2.gz BQJRTVYCVUHMOK-LLVKDONJSA-N 0 1 246.310 2.094 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@H](C)Cc1cccnc1 ZINC001258633783 991575199 /nfs/dbraw/zinc/57/51/99/991575199.db2.gz JUFIDMRDYGHAFH-IUODEOHRSA-N 0 1 246.354 2.456 20 0 BEADMN CC1CC([N@@H+](C)Cc2ccncc2[O-])C1 ZINC001140273149 991577450 /nfs/dbraw/zinc/57/74/50/991577450.db2.gz HKHHHBRXQIYXEH-UHFFFAOYSA-N 0 1 206.289 2.018 20 0 BEADMN CC(C)n1cc2c(n1)[C@@H](N[C@@H]1CCOC1)CCC2 ZINC001560734475 991577243 /nfs/dbraw/zinc/57/72/43/991577243.db2.gz MLHMGDFSSYVHLW-OLZOCXBDSA-N 0 1 249.358 2.220 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001140275493 991577723 /nfs/dbraw/zinc/57/77/23/991577723.db2.gz QBLPYLUJNWLVON-NSHDSACASA-N 0 1 224.279 2.111 20 0 BEADMN CC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1cccnc1 ZINC001258633135 991578588 /nfs/dbraw/zinc/57/85/88/991578588.db2.gz PYFYQEDGXJICLG-FZMZJTMJSA-N 0 1 232.327 2.066 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@@H](C)Cc1cccnc1 ZINC001258633135 991578601 /nfs/dbraw/zinc/57/86/01/991578601.db2.gz PYFYQEDGXJICLG-FZMZJTMJSA-N 0 1 232.327 2.066 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CC(C(F)F)C1 ZINC001258633246 991579616 /nfs/dbraw/zinc/57/96/16/991579616.db2.gz RQADXKXZDFQVKB-VIFPVBQESA-N 0 1 226.270 2.210 20 0 BEADMN c1ncc(CNc2c[nH]nc2-c2ccccc2)[nH]1 ZINC001560738860 991582951 /nfs/dbraw/zinc/58/29/51/991582951.db2.gz XVNRSQWJIKTHOT-UHFFFAOYSA-N 0 1 239.282 2.412 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccncc2[O-])[C@@H](C)C1 ZINC001140276867 991589084 /nfs/dbraw/zinc/58/90/84/991589084.db2.gz NBOAUWVEIRQMHX-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccncc1[O-] ZINC001140276868 991591512 /nfs/dbraw/zinc/59/15/12/991591512.db2.gz NBOAUWVEIRQMHX-WDEREUQCSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(CO)cs2)[C@@H]1C ZINC001560772859 991595759 /nfs/dbraw/zinc/59/57/59/991595759.db2.gz JMFTWYHSXSPOOZ-NXEZZACHSA-N 0 1 240.372 2.256 20 0 BEADMN CCCCC[C@@H](CCC)N1CCNC(=O)C1 ZINC001258667293 991609706 /nfs/dbraw/zinc/60/97/06/991609706.db2.gz MHYITVZUBLBSHM-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN CC1(C)CN(Cc2ccncn2)CCC1(F)F ZINC001140343866 991614695 /nfs/dbraw/zinc/61/46/95/991614695.db2.gz YYLWSPBLTJUORJ-UHFFFAOYSA-N 0 1 241.285 2.344 20 0 BEADMN Cc1ccc(-c2nnc(C3CN(C)C3)o2)cc1F ZINC001258703777 991639725 /nfs/dbraw/zinc/63/97/25/991639725.db2.gz VCRBHKBJOKHFEJ-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ncccc1F ZINC001560967442 991673136 /nfs/dbraw/zinc/67/31/36/991673136.db2.gz HXJBMINERQQOHC-QISWUMQESA-N 0 1 238.306 2.122 20 0 BEADMN CCCC[C@H](CCC)N(C)CC(=O)OC ZINC001258765108 991692633 /nfs/dbraw/zinc/69/26/33/991692633.db2.gz BLDYGKSOHPIJCB-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCN(CC)C(=O)c1cnc(C(C)C)[nH]1 ZINC001318670897 991696470 /nfs/dbraw/zinc/69/64/70/991696470.db2.gz MQNFLAFIEIJDRI-UHFFFAOYSA-N 0 1 223.320 2.405 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1CC(C)(C)C1(C)C ZINC001318919599 991737985 /nfs/dbraw/zinc/73/79/85/991737985.db2.gz OFBNMPXNQCZKJT-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258778586 991746723 /nfs/dbraw/zinc/74/67/23/991746723.db2.gz IGZXKDDSDVSMIN-QXFUBDJGSA-N 0 1 244.360 2.100 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H](C)C2)[nH]1 ZINC001319051597 991771332 /nfs/dbraw/zinc/77/13/32/991771332.db2.gz JCDCELVNWBBGKS-VIFPVBQESA-N 0 1 221.304 2.015 20 0 BEADMN CC[C@@H](C)C[C@H](CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258796150 991784900 /nfs/dbraw/zinc/78/49/00/991784900.db2.gz XTOBXQSZLWNPTK-RHYQMDGZSA-N 0 1 244.354 2.099 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001591120191 991790761 /nfs/dbraw/zinc/79/07/61/991790761.db2.gz LPDGOZNMKGTPFI-OUAUKWLOSA-N 0 1 231.311 2.166 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(CF)cc2)n[nH]1 ZINC001565727390 991803004 /nfs/dbraw/zinc/80/30/04/991803004.db2.gz ZUHFKFVPUPQFOP-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN Cc1cncc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC001566191419 991829024 /nfs/dbraw/zinc/82/90/24/991829024.db2.gz YJKACAHHESYEKR-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CC(C)N1CCN([C@@H]2CCC[C@@H](C)C2)CC1=O ZINC001258829015 991859791 /nfs/dbraw/zinc/85/97/91/991859791.db2.gz VHJMRBPKAIRCKV-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)N1CCN([C@H]2CCC[C@H](C)C2)CC1=O ZINC001258829018 991860080 /nfs/dbraw/zinc/86/00/80/991860080.db2.gz VHJMRBPKAIRCKV-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CCO[C@H]2C[C@H]21 ZINC001258853445 991885105 /nfs/dbraw/zinc/88/51/05/991885105.db2.gz YIXISQBVAKOEGK-KFWWJZLASA-N 0 1 231.339 2.481 20 0 BEADMN COc1ccccc1C[C@@H](C)N1CCO[C@H](C)C1 ZINC001258887876 991887102 /nfs/dbraw/zinc/88/71/02/991887102.db2.gz HGXSVBKMCJEGPU-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN C[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CC(C)(C)C1 ZINC001598447353 991887104 /nfs/dbraw/zinc/88/71/04/991887104.db2.gz CCRJMZDGHMQGIZ-DTWKUNHWSA-N 0 1 247.285 2.073 20 0 BEADMN COc1ccccc1C[C@H](C)N1CCO[C@@H](C)C1 ZINC001258887879 991888090 /nfs/dbraw/zinc/88/80/90/991888090.db2.gz HGXSVBKMCJEGPU-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001319559651 991892764 /nfs/dbraw/zinc/89/27/64/991892764.db2.gz QTCXOLMHULBJHF-JTQLQIEISA-N 0 1 235.331 2.405 20 0 BEADMN COc1ccccc1C[C@@H](C)[N@H+]1CCOC[C@@H]1C ZINC001258888039 991892849 /nfs/dbraw/zinc/89/28/49/991892849.db2.gz IKXHXLZCWVFIOT-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1C[C@@H](C)N1CCOC[C@@H]1C ZINC001258888039 991892859 /nfs/dbraw/zinc/89/28/59/991892859.db2.gz IKXHXLZCWVFIOT-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN CS[C@H]1CCCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC001319730211 991957884 /nfs/dbraw/zinc/95/78/84/991957884.db2.gz YLXGOQIGGXOCKF-LBPRGKRZSA-N 0 1 239.388 2.436 20 0 BEADMN CCCN(C)CN1CC[C@H](c2ccccc2)C1=O ZINC001319882588 992015640 /nfs/dbraw/zinc/01/56/40/992015640.db2.gz DAXPHRJMMQSRSE-CQSZACIVSA-N 0 1 246.354 2.302 20 0 BEADMN CC[C@H](C)CC(=O)NC1CN(CC2CCC2)C1 ZINC001567790566 992095831 /nfs/dbraw/zinc/09/58/31/992095831.db2.gz UVIYTJLLFDTSLL-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)(C)Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001320208389 992131014 /nfs/dbraw/zinc/13/10/14/992131014.db2.gz XCCMJECXBCZDBT-NSHDSACASA-N 0 1 249.358 2.467 20 0 BEADMN CC(C)CC[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591240474 992131968 /nfs/dbraw/zinc/13/19/68/992131968.db2.gz VTFUDROJPOVUSR-VIFPVBQESA-N 0 1 240.303 2.412 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CC=CC12CCCCC2 ZINC001332213476 992168061 /nfs/dbraw/zinc/16/80/61/992168061.db2.gz VGOOMAVWXSVVAH-UHFFFAOYSA-N 0 1 245.326 2.054 20 0 BEADMN CCC(C)(C)N(C)C(=O)CCN1CC[C@H](F)C1 ZINC001568582099 992191352 /nfs/dbraw/zinc/19/13/52/992191352.db2.gz NDFWDPFKLVOITA-NSHDSACASA-N 0 1 244.354 2.067 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC(C3CC3)C2)[nH]1 ZINC001261224184 992202992 /nfs/dbraw/zinc/20/29/92/992202992.db2.gz WAYKWAZYCBTEES-UHFFFAOYSA-N 0 1 233.315 2.015 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@H]2C2CC2)[nH]1 ZINC001261269478 992238608 /nfs/dbraw/zinc/23/86/08/992238608.db2.gz PFMZHMWILLADAZ-NSHDSACASA-N 0 1 233.315 2.158 20 0 BEADMN COC[C@@H]1CCN(Cc2ncoc2C(C)C)C1 ZINC001320547794 992245565 /nfs/dbraw/zinc/24/55/65/992245565.db2.gz KKWHQXNRWFNIKB-LLVKDONJSA-N 0 1 238.331 2.266 20 0 BEADMN CCOC(=O)C[C@@H]1CCCN1C/C=C\Cl ZINC001320584760 992258634 /nfs/dbraw/zinc/25/86/34/992258634.db2.gz RFHSJKFDUUQELK-OAQKJQOQSA-N 0 1 231.723 2.157 20 0 BEADMN CC(C)c1ocnc1CN1CC[C@H](C)[C@@H]1CO ZINC001320604545 992269309 /nfs/dbraw/zinc/26/93/09/992269309.db2.gz ZXLCOSORLIBLQR-JQWIXIFHSA-N 0 1 238.331 2.001 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001591320710 992287792 /nfs/dbraw/zinc/28/77/92/992287792.db2.gz XRKGNUSKWREKMX-VHSXEESVSA-N 0 1 247.285 2.073 20 0 BEADMN Cc1cc(CNc2cnn([C@H](C)C3CC3)c2)n[nH]1 ZINC001320763389 992348007 /nfs/dbraw/zinc/34/80/07/992348007.db2.gz BULXGPIEXQCDKX-SNVBAGLBSA-N 0 1 245.330 2.498 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001569382688 992372076 /nfs/dbraw/zinc/37/20/76/992372076.db2.gz CQFXMRRGAFMJAS-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1c(C(=O)N2CC[C@@H](C)C2)ccc2cncn21 ZINC001320840191 992377213 /nfs/dbraw/zinc/37/72/13/992377213.db2.gz QWKVYLFMNNYFQI-SNVBAGLBSA-N 0 1 243.310 2.125 20 0 BEADMN C=C/C=C\CC(=O)NCc1ccc2nc[nH]c2c1 ZINC001569387756 992379220 /nfs/dbraw/zinc/37/92/20/992379220.db2.gz CLYCFSOVVCJTQE-ARJAWSKDSA-N 0 1 241.294 2.311 20 0 BEADMN CC(C)(C)N1CCN(C(=O)CC2(C)CC2)CC1 ZINC001320891294 992391145 /nfs/dbraw/zinc/39/11/45/992391145.db2.gz XQJBTWRZCYTXTL-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C=C/C(C)=C/CC(=O)N(C)C1CN(CCC)C1 ZINC001569497748 992401825 /nfs/dbraw/zinc/40/18/25/992401825.db2.gz NLZAICBBAIHGFN-KPKJPENVSA-N 0 1 236.359 2.061 20 0 BEADMN CCCCC[C@H](CC)C(=O)OCc1nnc[nH]1 ZINC001261586451 992407475 /nfs/dbraw/zinc/40/74/75/992407475.db2.gz BMCNARNUNYBBJL-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN Cc1nnc(SCCOCc2ccccc2)[nH]1 ZINC001261594631 992417056 /nfs/dbraw/zinc/41/70/56/992417056.db2.gz RUPGCQMGMKBAPB-UHFFFAOYSA-N 0 1 249.339 2.422 20 0 BEADMN Cc1cc(CN2CCSC(C)(C)CC2)[nH]n1 ZINC001320964752 992419570 /nfs/dbraw/zinc/41/95/70/992419570.db2.gz NTURLXMDRYMMMR-UHFFFAOYSA-N 0 1 239.388 2.436 20 0 BEADMN CC(C)c1ocnc1C[N@H+]1CCC[C@@]1(C)CO ZINC001321059901 992444848 /nfs/dbraw/zinc/44/48/48/992444848.db2.gz LPBWPQDGUILGJY-ZDUSSCGKSA-N 0 1 238.331 2.145 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@@]1(C)CO ZINC001321059901 992444855 /nfs/dbraw/zinc/44/48/55/992444855.db2.gz LPBWPQDGUILGJY-ZDUSSCGKSA-N 0 1 238.331 2.145 20 0 BEADMN CCn1ncnc1CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001321327360 992517829 /nfs/dbraw/zinc/51/78/29/992517829.db2.gz VRMJZSUCTRDUFS-STQMWFEESA-N 0 1 248.374 2.310 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ncccc1C ZINC001261830248 992527587 /nfs/dbraw/zinc/52/75/87/992527587.db2.gz PGSVZLKXGPJRCE-OLZOCXBDSA-N 0 1 220.316 2.047 20 0 BEADMN CN(Cc1nnc[nH]1)[C@H]1CCc2c1cccc2F ZINC001321404803 992533234 /nfs/dbraw/zinc/53/32/34/992533234.db2.gz SOVLGPWQZOBLLW-LBPRGKRZSA-N 0 1 246.289 2.063 20 0 BEADMN O=c1cc(C2CCCCC2)[nH]n1-c1cncnc1 ZINC001261890507 992564514 /nfs/dbraw/zinc/56/45/14/992564514.db2.gz GCRUMNMQYUPSEU-UHFFFAOYSA-N 0 1 244.298 2.150 20 0 BEADMN C[C@@H]1CCc2[n-]n(CC3CC3)c(=O)c2C1 ZINC001261890639 992566619 /nfs/dbraw/zinc/56/66/19/992566619.db2.gz KESXTYJRYSSNTA-SCZZXKLOSA-N 0 1 206.289 2.031 20 0 BEADMN C[C@@H]1CCc2[nH]n(CC3CC3)c(=O)c2C1 ZINC001261890639 992566631 /nfs/dbraw/zinc/56/66/31/992566631.db2.gz KESXTYJRYSSNTA-SCZZXKLOSA-N 0 1 206.289 2.031 20 0 BEADMN Cc1nocc1CNCc1cccn1C1CC1 ZINC001262010762 992596676 /nfs/dbraw/zinc/59/66/76/992596676.db2.gz OSFJOECGJXPCKS-UHFFFAOYSA-N 0 1 231.299 2.409 20 0 BEADMN CC(C)[N@H+]1CCCC[C@H]1CSCCC(=O)[O-] ZINC001573546843 992631175 /nfs/dbraw/zinc/63/11/75/992631175.db2.gz DMCJEEIKCVKZPU-NSHDSACASA-N 0 1 245.388 2.457 20 0 BEADMN C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC001573608654 992648962 /nfs/dbraw/zinc/64/89/62/992648962.db2.gz VGINZCGLIMQMOI-SNVBAGLBSA-N 0 1 239.340 2.184 20 0 BEADMN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCN2)[C@@H]1C ZINC001573643126 992665473 /nfs/dbraw/zinc/66/54/73/992665473.db2.gz WTBGMZCYODRMSX-WYUUTHIRSA-N 0 1 225.332 2.106 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[Si](C)(C)C)C1 ZINC001573822933 992723730 /nfs/dbraw/zinc/72/37/30/992723730.db2.gz WPMXYOLDTBPATF-LBPRGKRZSA-N 0 1 243.423 2.441 20 0 BEADMN CCc1ccc2c(c1)C[N@H+](CCCC(=O)[O-])CC2 ZINC001573832230 992728179 /nfs/dbraw/zinc/72/81/79/992728179.db2.gz LXMNOOWEHNWQOR-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN CCc1ccc2c(c1)C[N@@H+]([C@@H](CC)C(=O)[O-])CC2 ZINC001573831825 992730056 /nfs/dbraw/zinc/73/00/56/992730056.db2.gz BIBKXWXFFBYSAO-AWEZNQCLSA-N 0 1 247.338 2.470 20 0 BEADMN CCc1ccc2c(c1)CC[N@H+]([C@@H](CC)C(=O)[O-])C2 ZINC001573832476 992731858 /nfs/dbraw/zinc/73/18/58/992731858.db2.gz UPPFUFKTXWHYKO-AWEZNQCLSA-N 0 1 247.338 2.470 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001573889637 992753610 /nfs/dbraw/zinc/75/36/10/992753610.db2.gz PPZGJPZVUCXRKP-LLVKDONJSA-N 0 1 236.315 2.191 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CCC1 ZINC001591573828 992779971 /nfs/dbraw/zinc/77/99/71/992779971.db2.gz TUHZBXHJYOHRAZ-NXEZZACHSA-N 0 1 247.285 2.215 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001574265448 992832246 /nfs/dbraw/zinc/83/22/46/992832246.db2.gz BPPTXXLSQZCULW-UJPOAAIJSA-N 0 1 237.343 2.360 20 0 BEADMN CC(C)[N@@H+](Cc1ccccn1)CC1(C(=O)[O-])CC1 ZINC001591603668 992836152 /nfs/dbraw/zinc/83/61/52/992836152.db2.gz MFVUUTCEFLJCKL-UHFFFAOYSA-N 0 1 248.326 2.157 20 0 BEADMN O=C([O-])CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001574368253 992851741 /nfs/dbraw/zinc/85/17/41/992851741.db2.gz MFDXYNLAMSAHGC-MCIONIFRSA-N 0 1 245.322 2.197 20 0 BEADMN Cc1cccnc1[C@H](C)NC[C@@](C)(O)C(F)F ZINC001262560918 992914470 /nfs/dbraw/zinc/91/44/70/992914470.db2.gz GQMZEOKITKEQDG-JOYOIKCWSA-N 0 1 244.285 2.057 20 0 BEADMN C=C/C=C/CCNC(=O)[C@@H](N)c1ccccc1C ZINC001574888969 992938927 /nfs/dbraw/zinc/93/89/27/992938927.db2.gz NCVQIIYRYAIKEZ-NNTXTVRGSA-N 0 1 244.338 2.243 20 0 BEADMN N#Cc1ccc(CNC/C=C/C2CC2)o1 ZINC000378802611 993206755 /nfs/dbraw/zinc/20/67/55/993206755.db2.gz UZXFPCRJFJYCNG-OWOJBTEDSA-N 0 1 202.257 2.207 20 0 BEADMN CC(C)N1CC(Nc2ccc3ccccc3n2)C1 ZINC000379135422 993222745 /nfs/dbraw/zinc/22/27/45/993222745.db2.gz XMOUGJCOUHKKDW-UHFFFAOYSA-N 0 1 241.338 2.161 20 0 BEADMN C[C@@H]1C[C@@H](NC/C=C\C2CC2)c2nccn21 ZINC000379240972 993232889 /nfs/dbraw/zinc/23/28/89/993232889.db2.gz WVAFQMNYDAHVML-IRSQKABVSA-N 0 1 217.316 2.445 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCc2ncncc2C1 ZINC000585379211 993262691 /nfs/dbraw/zinc/26/26/91/993262691.db2.gz GQVGLWMCYKDBJU-NSHDSACASA-N 0 1 243.310 2.059 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2nonc2C)C1 ZINC000380361860 993328104 /nfs/dbraw/zinc/32/81/04/993328104.db2.gz YUEURWFTYPPANY-VHSXEESVSA-N 0 1 209.293 2.046 20 0 BEADMN CC[C@@H]1CC[C@H](NCc2nonc2C)C1 ZINC000380361861 993328664 /nfs/dbraw/zinc/32/86/64/993328664.db2.gz YUEURWFTYPPANY-ZJUUUORDSA-N 0 1 209.293 2.046 20 0 BEADMN CSC1(COC(=O)c2[nH]cnc2C)CCC1 ZINC001263486839 993340561 /nfs/dbraw/zinc/34/05/61/993340561.db2.gz QTOLNURVZFNMSL-UHFFFAOYSA-N 0 1 240.328 2.161 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H]1CCC12CCC2 ZINC001263511922 993352887 /nfs/dbraw/zinc/35/28/87/993352887.db2.gz AVKNUTYKHJINJF-VIFPVBQESA-N 0 1 220.272 2.208 20 0 BEADMN Cc1nc(CN[C@H]2C[C@@H](O)C2(C)C)c(C)s1 ZINC000381428176 993393912 /nfs/dbraw/zinc/39/39/12/993393912.db2.gz ZOTQBYQZJFIBCI-WDEREUQCSA-N 0 1 240.372 2.009 20 0 BEADMN C[C@H](NC/C=C\C1CC1)c1cnccn1 ZINC000382178251 993441741 /nfs/dbraw/zinc/44/17/41/993441741.db2.gz YPBGPHWQNLRIQG-ZMWSMAPVSA-N 0 1 203.289 2.093 20 0 BEADMN Cn1ccc(CNC/C=C\c2ccccc2)n1 ZINC000382467716 993461688 /nfs/dbraw/zinc/46/16/88/993461688.db2.gz GSGRAAGKJIPQPJ-YVMONPNESA-N 0 1 227.311 2.223 20 0 BEADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1C[C@@H]1F ZINC001263776521 993507392 /nfs/dbraw/zinc/50/73/92/993507392.db2.gz LEQKURXVXSWHMA-VDTYLAMSSA-N 0 1 247.628 2.481 20 0 BEADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1C[C@H]1F ZINC001263776518 993508413 /nfs/dbraw/zinc/50/84/13/993508413.db2.gz LEQKURXVXSWHMA-CAHLUQPWSA-N 0 1 247.628 2.481 20 0 BEADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@@H]1C[C@H]1F ZINC001263776520 993508508 /nfs/dbraw/zinc/50/85/08/993508508.db2.gz LEQKURXVXSWHMA-IYSWYEEDSA-N 0 1 247.628 2.481 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001263801508 993525222 /nfs/dbraw/zinc/52/52/22/993525222.db2.gz MXAGQUSLNXIPLK-NWDGAFQWSA-N 0 1 240.391 2.221 20 0 BEADMN CCOc1cccc(-c2noc([C@H]3CCN3)n2)c1 ZINC000384743170 993617270 /nfs/dbraw/zinc/61/72/70/993617270.db2.gz GVVZVKXGLGLWLR-LLVKDONJSA-N 0 1 245.282 2.170 20 0 BEADMN Cc1ccc(F)cc1-c1noc([C@@H]2CCN2)n1 ZINC000384812285 993627400 /nfs/dbraw/zinc/62/74/00/993627400.db2.gz GNXDANQYNVTZPW-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)OC1CCCC1 ZINC001577383378 993635388 /nfs/dbraw/zinc/63/53/88/993635388.db2.gz FTTIRSMXWYBNAF-NSHDSACASA-N 0 1 240.347 2.140 20 0 BEADMN Cc1cccc(NC(=O)c2cccc(F)c2O)n1 ZINC001264252176 993690639 /nfs/dbraw/zinc/69/06/39/993690639.db2.gz CXFGXBJOZDQRHM-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN COc1cccc(NCc2cc(C)[nH]n2)c1 ZINC000390656218 993799987 /nfs/dbraw/zinc/79/99/87/993799987.db2.gz QVAQDUQBUUNJTI-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN CCc1cccnc1NCc1cc(C)[nH]n1 ZINC000390657960 993800097 /nfs/dbraw/zinc/80/00/97/993800097.db2.gz RJPTWIIIKJVTTB-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN Cc1ccc([N+](=O)[O-])c(NCCN2CC=CC2)c1 ZINC000392957637 993892415 /nfs/dbraw/zinc/89/24/15/993892415.db2.gz ZFZZEABXYCZESH-UHFFFAOYSA-N 0 1 247.298 2.187 20 0 BEADMN Cc1ccc2nc(-c3cccnn3)[nH]c2c1 ZINC000701798230 993913644 /nfs/dbraw/zinc/91/36/44/993913644.db2.gz IHQRRCHOQKIFSY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Oc1ccc(C[N@H+]2CCCC(F)(F)CC2)nc1 ZINC000702768547 994047249 /nfs/dbraw/zinc/04/72/49/994047249.db2.gz QBBQGFQVVKRDGJ-UHFFFAOYSA-N 0 1 242.269 2.408 20 0 BEADMN Oc1ccc(CN2CCCC(F)(F)CC2)nc1 ZINC000702768547 994047254 /nfs/dbraw/zinc/04/72/54/994047254.db2.gz QBBQGFQVVKRDGJ-UHFFFAOYSA-N 0 1 242.269 2.408 20 0 BEADMN CC(C)(C)c1coc(CNCCc2cn[nH]c2)n1 ZINC000724434325 994063770 /nfs/dbraw/zinc/06/37/70/994063770.db2.gz PEXHMHIUPWBHCN-UHFFFAOYSA-N 0 1 248.330 2.028 20 0 BEADMN Fc1ncccc1CN1C2CCC1CC2 ZINC000725378093 994099392 /nfs/dbraw/zinc/09/93/92/994099392.db2.gz VTTZSTFRBJFKTK-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1CCC[C@@H]1C ZINC001599645560 994419856 /nfs/dbraw/zinc/41/98/56/994419856.db2.gz VTFVATAPNSXLIR-JTQLQIEISA-N 0 1 249.310 2.378 20 0 BEADMN C[C@H]([C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C)C(C)(C)C ZINC001289119264 994486849 /nfs/dbraw/zinc/48/68/49/994486849.db2.gz FDUDDQRSABTERB-TUAOUCFPSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@H]([C@H](C)C(=O)NC[C@@H]1CCN1C)C(C)(C)C ZINC001289119264 994486856 /nfs/dbraw/zinc/48/68/56/994486856.db2.gz FDUDDQRSABTERB-TUAOUCFPSA-N 0 1 240.391 2.125 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC001290783031 994560675 /nfs/dbraw/zinc/56/06/75/994560675.db2.gz TYGYAUKIEXGSPH-WPRPVWTQSA-N 0 1 239.294 2.247 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)CCN1CC[C@@H](F)C1 ZINC001290874158 994564231 /nfs/dbraw/zinc/56/42/31/994564231.db2.gz HKZCHYQYVHDISQ-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@@H](C(=O)N1CC(N(C)C)C1)[C@@H](C)C(C)(C)C ZINC001295881945 994789328 /nfs/dbraw/zinc/78/93/28/994789328.db2.gz NRFWMEKMMJAONH-GHMZBOCLSA-N 0 1 240.391 2.077 20 0 BEADMN Cc1cccc2nc(NC[C@H]3CCN3C)oc21 ZINC001335551504 994813096 /nfs/dbraw/zinc/81/30/96/994813096.db2.gz FXKRLKSPIOLMDJ-SNVBAGLBSA-N 0 1 231.299 2.252 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[nH]1 ZINC001304108051 995190133 /nfs/dbraw/zinc/19/01/33/995190133.db2.gz OMKRUNYJHAWXMK-GDNZZTSVSA-N 0 1 247.342 2.195 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1CCSC1 ZINC001304165213 995195882 /nfs/dbraw/zinc/19/58/82/995195882.db2.gz FKWGZLVZMVREKH-VIFPVBQESA-N 0 1 247.323 2.026 20 0 BEADMN C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC001339101981 995255488 /nfs/dbraw/zinc/25/54/88/995255488.db2.gz NSFXSORLOZSDPP-SSDOTTSWSA-N 0 1 242.344 2.003 20 0 BEADMN COc1ccc(CN(C)CC2=NOCC2)cc1C ZINC001307454834 995366196 /nfs/dbraw/zinc/36/61/96/995366196.db2.gz CEPJWOCOMPDTQD-UHFFFAOYSA-N 0 1 248.326 2.212 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC001307702172 995437489 /nfs/dbraw/zinc/43/74/89/995437489.db2.gz HWHSQFGRIMCQSU-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)[C@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001307702172 995437493 /nfs/dbraw/zinc/43/74/93/995437493.db2.gz HWHSQFGRIMCQSU-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]([C@H](C)O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001307720570 995444944 /nfs/dbraw/zinc/44/49/44/995444944.db2.gz GLKGBBSAZMSIBT-DYEKYZERSA-N 0 1 237.318 2.326 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C)Cc1ncccn1 ZINC001308035928 995528409 /nfs/dbraw/zinc/52/84/09/995528409.db2.gz MLKASTUUSZYRPI-GHMZBOCLSA-N 0 1 207.321 2.343 20 0 BEADMN CCC[C@@H]1CCCN1CC(=O)Nc1ccccn1 ZINC001308136880 995566022 /nfs/dbraw/zinc/56/60/22/995566022.db2.gz WVBZXDLSRUCLAU-GFCCVEGCSA-N 0 1 247.342 2.285 20 0 BEADMN CC1(C)CC[N@@H+](CC2(C(=O)[O-])CC2)CCS1 ZINC001593911662 996805526 /nfs/dbraw/zinc/80/55/26/996805526.db2.gz LXPWEFJCAAGYTD-UHFFFAOYSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2occc2C(=O)[O-])C1 ZINC001594044683 997687861 /nfs/dbraw/zinc/68/78/61/997687861.db2.gz BDWDFWAWHGOPJX-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC001594044683 997687866 /nfs/dbraw/zinc/68/78/66/997687866.db2.gz BDWDFWAWHGOPJX-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@]1(F)CCC[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001594044975 997693798 /nfs/dbraw/zinc/69/37/98/997693798.db2.gz JUOCXAMBQVKSED-NSHDSACASA-N 0 1 229.295 2.065 20 0 BEADMN CC1=C(C)C[N@H+]([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC001594109426 998193335 /nfs/dbraw/zinc/19/33/35/998193335.db2.gz HCEQSODBNAWDOD-ZDUSSCGKSA-N 0 1 246.310 2.249 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001594110467 998210927 /nfs/dbraw/zinc/21/09/27/998210927.db2.gz WQQJANKZIBKPJN-UHFFFAOYSA-N 0 1 248.326 2.265 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cccn1C1CC1 ZINC001594167062 998640825 /nfs/dbraw/zinc/64/08/25/998640825.db2.gz JCFYERYXNRMOPD-GWCFXTLKSA-N 0 1 248.326 2.118 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccn1C1CC1 ZINC001594167063 998640884 /nfs/dbraw/zinc/64/08/84/998640884.db2.gz JCFYERYXNRMOPD-GXFFZTMASA-N 0 1 248.326 2.118 20 0 BEADMN C[C@@H]1C[C@@H](C)[NH+]1[C@H](C(=O)[O-])c1ccccc1F ZINC001594231028 998877772 /nfs/dbraw/zinc/87/77/72/998877772.db2.gz QCYDXZSSJYFDQV-LNLATYFQSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594231338 998879128 /nfs/dbraw/zinc/87/91/28/998879128.db2.gz SCDCOOYFOSRAIW-VDDIYKPWSA-N 0 1 237.274 2.434 20 0 BEADMN CC1CC(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001594238891 998909519 /nfs/dbraw/zinc/90/95/19/998909519.db2.gz HBRXMFJWQVGNRD-JJGGINFWSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001594239510 998914334 /nfs/dbraw/zinc/91/43/34/998914334.db2.gz ULEBDSXHFSRYKG-YZVRNYIASA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC001594370068 999393596 /nfs/dbraw/zinc/39/35/96/999393596.db2.gz GGIBMAQLTSMNPS-JTQLQIEISA-N 0 1 236.315 2.335 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594416929 999559079 /nfs/dbraw/zinc/55/90/79/999559079.db2.gz PIFKQQCUGKRROO-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN CC(=Cc1ccco1)C(=O)N(C)Cc1cnc[nH]1 ZINC001453293094 1170028944 /nfs/dbraw/zinc/02/89/44/1170028944.db2.gz QHQLRGCSASGBIV-UXBLZVDNSA-N 0 1 245.282 2.065 20 0 BEADMN Cc1ccc2[nH]c(CN3CCCC3)nc2c1 ZINC000008701148 1170082682 /nfs/dbraw/zinc/08/26/82/1170082682.db2.gz KPXIFMZCOGIXQQ-UHFFFAOYSA-N 0 1 215.300 2.467 20 0 BEADMN Cc1ccc2nc(CN3CCCC3)[nH]c2c1 ZINC000008701148 1170082694 /nfs/dbraw/zinc/08/26/94/1170082694.db2.gz KPXIFMZCOGIXQQ-UHFFFAOYSA-N 0 1 215.300 2.467 20 0 BEADMN CCc1ncc(CNCc2scnc2C)cn1 ZINC001620782980 1170119554 /nfs/dbraw/zinc/11/95/54/1170119554.db2.gz QMBSWHZXIDDWER-UHFFFAOYSA-N 0 1 248.355 2.094 20 0 BEADMN c1cc(CNCCc2c[nH]c3ccccc23)no1 ZINC001620697448 1170148290 /nfs/dbraw/zinc/14/82/90/1170148290.db2.gz ZBTPMEGKILVCMK-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN CSCC[C@H](C)NCc1nn(C)cc1Cl ZINC001620805652 1170152954 /nfs/dbraw/zinc/15/29/54/1170152954.db2.gz BTUMZIOWXWRDHC-QMMMGPOBSA-N 0 1 247.795 2.305 20 0 BEADMN c1cc(CNc2cccc3[nH]nnc32)co1 ZINC001620940855 1170172203 /nfs/dbraw/zinc/17/22/03/1170172203.db2.gz HWBSSZZUQOLZQZ-UHFFFAOYSA-N 0 1 214.228 2.163 20 0 BEADMN CNc1ccccc1CNCc1ccc[nH]c1=O ZINC001621025069 1170183518 /nfs/dbraw/zinc/18/35/18/1170183518.db2.gz YRVZLZLDFUGWQD-UHFFFAOYSA-N 0 1 243.310 2.119 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@H]1C1CC1 ZINC001609008743 1170217673 /nfs/dbraw/zinc/21/76/73/1170217673.db2.gz JNJLJQYALRXCOY-JTQLQIEISA-N 0 1 237.324 2.431 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@@H](C(=O)[O-])c1ccccc1 ZINC001609843322 1170299601 /nfs/dbraw/zinc/29/96/01/1170299601.db2.gz SMBXGQBPUXTNHF-JFGNBEQYSA-N 0 1 219.284 2.295 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001609964211 1170326032 /nfs/dbraw/zinc/32/60/32/1170326032.db2.gz XPFXIVBKERFULS-ZYHUDNBSSA-N 0 1 231.311 2.454 20 0 BEADMN CCc1nc([C@@H](C)[NH2+][C@H](CC)C(=O)[O-])cs1 ZINC001610070488 1170343402 /nfs/dbraw/zinc/34/34/02/1170343402.db2.gz FNEZPQHHAPYMQM-HTQZYQBOSA-N 0 1 242.344 2.219 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H]1C ZINC001610075664 1170349648 /nfs/dbraw/zinc/34/96/48/1170349648.db2.gz SGYQORFWERPZGZ-DTWKUNHWSA-N 0 1 237.299 2.380 20 0 BEADMN c1ccc2c(c1)ccnc2SCc1nn[nH]n1 ZINC001614569458 1170494611 /nfs/dbraw/zinc/49/46/11/1170494611.db2.gz BZNHGHFLRLMSPS-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN CCc1ncc(CNC(=O)Nc2ccccc2)[nH]1 ZINC001622640910 1170505322 /nfs/dbraw/zinc/50/53/22/1170505322.db2.gz SKMWAVLVRKQUDD-UHFFFAOYSA-N 0 1 244.298 2.294 20 0 BEADMN O=C1CCCN(CCc2ccccc2)CC1 ZINC000034527239 1170569930 /nfs/dbraw/zinc/56/99/30/1170569930.db2.gz MMSWWQXAVLVACK-UHFFFAOYSA-N 0 1 217.312 2.284 20 0 BEADMN CCC[C@H](C)[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC001617887369 1170607806 /nfs/dbraw/zinc/60/78/06/1170607806.db2.gz GJUZNCYQWHHBOA-VIFPVBQESA-N 0 1 239.319 2.143 20 0 BEADMN CN(CC1=NOCC1)C1CC(OC(C)(C)C)C1 ZINC001618646151 1170643564 /nfs/dbraw/zinc/64/35/64/1170643564.db2.gz NOEWXCOIGWLPHF-UHFFFAOYSA-N 0 1 240.347 2.041 20 0 BEADMN c1cc2n(n1)CCN(CC13CCC(CC1)C3)C2 ZINC001620450092 1170672638 /nfs/dbraw/zinc/67/26/38/1170672638.db2.gz IXOKTSVIBXTOGG-UHFFFAOYSA-N 0 1 231.343 2.279 20 0 BEADMN Cl/C=C/CN1CCC(c2ncccn2)CC1 ZINC001620595797 1170687712 /nfs/dbraw/zinc/68/77/12/1170687712.db2.gz NRNBYDMGTOHMMT-ORCRQEGFSA-N 0 1 237.734 2.409 20 0 BEADMN CCC[C@H]1CCC[N@H+]1Cc1nnc2n1CCCC2 ZINC001620644128 1170693249 /nfs/dbraw/zinc/69/32/49/1170693249.db2.gz ZURHFRGJXCGWGE-LBPRGKRZSA-N 0 1 248.374 2.379 20 0 BEADMN CCC[C@H]1CCCN1Cc1nnc2n1CCCC2 ZINC001620644128 1170693254 /nfs/dbraw/zinc/69/32/54/1170693254.db2.gz ZURHFRGJXCGWGE-LBPRGKRZSA-N 0 1 248.374 2.379 20 0 BEADMN CCOC(=O)CN1CC=CC12CCCCC2 ZINC001620681401 1170701164 /nfs/dbraw/zinc/70/11/64/1170701164.db2.gz KJMUELPMHVDMLV-UHFFFAOYSA-N 0 1 223.316 2.124 20 0 BEADMN CCCn1cc(CNCc2cccnc2)c(C)n1 ZINC001620696673 1170706208 /nfs/dbraw/zinc/70/62/08/1170706208.db2.gz IYMSAOCDATVOSW-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN Cc1c[nH]c(CNC[C@@H]2OCc3ccccc32)n1 ZINC001621105337 1170716101 /nfs/dbraw/zinc/71/61/01/1170716101.db2.gz OCUBQJJVTGWISK-ZDUSSCGKSA-N 0 1 243.310 2.079 20 0 BEADMN C[C@@H]1CCN(Cc2cccn2C(F)F)C[C@H]1O ZINC001621313372 1170770781 /nfs/dbraw/zinc/77/07/81/1170770781.db2.gz YZYYDHKSOLTPGZ-MWLCHTKSSA-N 0 1 244.285 2.086 20 0 BEADMN CNc1ccccc1CN(C(C)C)C1COC1 ZINC001621352375 1170778049 /nfs/dbraw/zinc/77/80/49/1170778049.db2.gz LZKMKUUQGJJVQY-UHFFFAOYSA-N 0 1 234.343 2.338 20 0 BEADMN C[C@]1(CN2CC(C(F)F)C2)CCCCO1 ZINC001621381241 1170791085 /nfs/dbraw/zinc/79/10/85/1170791085.db2.gz XQEZZDOVIZQUOY-LLVKDONJSA-N 0 1 219.275 2.143 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1ncccc1F ZINC001621388346 1170794803 /nfs/dbraw/zinc/79/48/03/1170794803.db2.gz FQUDOZICDKQHFW-DGCLKSJQSA-N 0 1 238.306 2.268 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1ncccc1F ZINC001621422844 1170805968 /nfs/dbraw/zinc/80/59/68/1170805968.db2.gz FLYDZHDCWUCYAF-MFKMUULPSA-N 0 1 240.322 2.107 20 0 BEADMN FC[C@@H]1CCN(Cc2ncccc2F)C1 ZINC001621495726 1170829835 /nfs/dbraw/zinc/82/98/35/1170829835.db2.gz BIWGUNYHUHGMKA-VIFPVBQESA-N 0 1 212.243 2.012 20 0 BEADMN CC(C)(C)C(=O)NCCCCc1ccnc(N)c1 ZINC001649187683 1170886426 /nfs/dbraw/zinc/88/64/26/1170886426.db2.gz HRMGGTXCCCXXRP-UHFFFAOYSA-N 0 1 249.358 2.149 20 0 BEADMN CC(C)CC(=O)N1CCN(CC(C)(C)C)CC1 ZINC000036125456 1170907912 /nfs/dbraw/zinc/90/79/12/1170907912.db2.gz QDSCJEFURUHHEJ-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1[nH]ncc1CNc1ncnc2ccccc21 ZINC000038011940 1171003665 /nfs/dbraw/zinc/00/36/65/1171003665.db2.gz LQPSYXSQLXGGCA-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CS/C=C\C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001624739944 1171056168 /nfs/dbraw/zinc/05/61/68/1171056168.db2.gz IERHZXUZXNVJLO-PLNGDYQASA-N 0 1 249.295 2.084 20 0 BEADMN CCC[C@H](C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001624939259 1171064424 /nfs/dbraw/zinc/06/44/24/1171064424.db2.gz RBEPXUXRUOKWQM-UWVGGRQHSA-N 0 1 249.358 2.453 20 0 BEADMN C[C@H](Nc1nccnc1CN)c1ccccc1 ZINC001649202905 1171090747 /nfs/dbraw/zinc/09/07/47/1171090747.db2.gz ZGOYDKGHAVURBO-JTQLQIEISA-N 0 1 228.299 2.108 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)c2[nH]ncc2F)cc1 ZINC001625303079 1171092889 /nfs/dbraw/zinc/09/28/89/1171092889.db2.gz WXCOCTWEPLGEEZ-SECBINFHSA-N 0 1 247.273 2.348 20 0 BEADMN Cc1cc(CCC(=O)N2CCCC3(CC3)C2)n[nH]1 ZINC001625733768 1171114608 /nfs/dbraw/zinc/11/46/08/1171114608.db2.gz FJLHSRQTUZHSRZ-UHFFFAOYSA-N 0 1 247.342 2.053 20 0 BEADMN CC(C)(C)C(C)(C)CNC(=O)c1[nH]ncc1F ZINC001628413661 1171235677 /nfs/dbraw/zinc/23/56/77/1171235677.db2.gz JHRGIZLILWYMLK-UHFFFAOYSA-N 0 1 241.310 2.351 20 0 BEADMN O=C(Nc1ccsc1)c1cncc2nc[nH]c21 ZINC001628647251 1171256265 /nfs/dbraw/zinc/25/62/65/1171256265.db2.gz YSWCTNKUVCMWSC-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000043628876 1171313243 /nfs/dbraw/zinc/31/32/43/1171313243.db2.gz JSJVQICKBUCVLC-VWYCJHECSA-N 0 1 213.321 2.058 20 0 BEADMN C/C(Cl)=C/C(=O)NCc1ccc2cncn2c1 ZINC001629525781 1171324334 /nfs/dbraw/zinc/32/43/34/1171324334.db2.gz QFJDGTNBWJVZMP-WTKPLQERSA-N 0 1 249.701 2.093 20 0 BEADMN CCC[C@@H](CC)NC(=O)CCN1CC[C@H](F)C1 ZINC001631827000 1171478837 /nfs/dbraw/zinc/47/88/37/1171478837.db2.gz GAPVEXOYPUCHEO-NWDGAFQWSA-N 0 1 244.354 2.115 20 0 BEADMN Cc1nc[nH]c1C(=O)N(C)c1ccc(O)c(C)c1 ZINC001631857214 1171479460 /nfs/dbraw/zinc/47/94/60/1171479460.db2.gz BBVWVGWQKRRZRZ-UHFFFAOYSA-N 0 1 245.282 2.009 20 0 BEADMN CCC[C@@H](CC)NC(=O)CCN1CC[C@@H](F)C1 ZINC001631827002 1171480377 /nfs/dbraw/zinc/48/03/77/1171480377.db2.gz GAPVEXOYPUCHEO-VXGBXAGGSA-N 0 1 244.354 2.115 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@H]2C2CC2)n[nH]1 ZINC001632547985 1171515777 /nfs/dbraw/zinc/51/57/77/1171515777.db2.gz KLDVHFUBWGDALF-ZDUSSCGKSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@@H]2C2CC2)n[nH]1 ZINC001632547980 1171517083 /nfs/dbraw/zinc/51/70/83/1171517083.db2.gz KLDVHFUBWGDALF-CYBMUJFWSA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)ccc1F ZINC001632713670 1171530326 /nfs/dbraw/zinc/53/03/26/1171530326.db2.gz KXNRPIDQSDILPF-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CC(=Cc1ccco1)C(=O)NCc1cc(C)[nH]n1 ZINC001633500744 1171584728 /nfs/dbraw/zinc/58/47/28/1171584728.db2.gz FGPMHEACTNAYSU-TWGQIWQCSA-N 0 1 245.282 2.031 20 0 BEADMN COCc1ccc(NC(=O)c2[nH]cnc2C)cc1 ZINC001635392652 1171724221 /nfs/dbraw/zinc/72/42/21/1171724221.db2.gz SWEFODYLMNCHNN-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)[nH]1 ZINC001635610704 1171741540 /nfs/dbraw/zinc/74/15/40/1171741540.db2.gz RXQSSRQJKOEQMN-AXFHLTTASA-N 0 1 247.342 2.025 20 0 BEADMN CCOc1ccc(-c2nnc([C@@H](C)NC)o2)cc1 ZINC000050618314 1171823095 /nfs/dbraw/zinc/82/30/95/1171823095.db2.gz OSMOBODBMRNPBF-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN CN(Cc1ccccc1)Cc1ccc(N)nc1 ZINC000050793035 1171839169 /nfs/dbraw/zinc/83/91/69/1171839169.db2.gz FGSRBANCKUCVHZ-UHFFFAOYSA-N 0 1 227.311 2.296 20 0 BEADMN CN(Cc1ccc(F)cc1)Cc1ccc(N)nc1 ZINC000050818193 1171842729 /nfs/dbraw/zinc/84/27/29/1171842729.db2.gz QPXYUYIGROEJTA-UHFFFAOYSA-N 0 1 245.301 2.435 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1c2[nH]cnc2ccc1F ZINC001636687770 1171862285 /nfs/dbraw/zinc/86/22/85/1171862285.db2.gz DMZZGHGUQUTIIF-JGVFFNPUSA-N 0 1 247.273 2.182 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1[nH]ncc1F ZINC001636916555 1171891289 /nfs/dbraw/zinc/89/12/89/1171891289.db2.gz JEECJCAYFYIZEW-QMMMGPOBSA-N 0 1 227.283 2.105 20 0 BEADMN C[C@](O)(CN1CCOCC1(C)C)c1ccccc1 ZINC000052097171 1171939896 /nfs/dbraw/zinc/93/98/96/1171939896.db2.gz BQXMEHXRZJSKGU-HNNXBMFYSA-N 0 1 249.354 2.005 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(OC)ccc1F ZINC000550213988 398141231 /nfs/dbraw/zinc/14/12/31/398141231.db2.gz WSEOJLKWCFIYJQ-STQMWFEESA-N 0 1 239.290 2.101 20 0 BEADMN CO[C@](C)(CNc1ccc2c(n1)CCC2)C1CC1 ZINC000385263758 398144566 /nfs/dbraw/zinc/14/45/66/398144566.db2.gz BKCOJKSIWSUKDZ-OAHLLOKOSA-N 0 1 246.354 2.219 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062875617 349494696 /nfs/dbraw/zinc/49/46/96/349494696.db2.gz OXYPKKJGWMGEPK-LBPRGKRZSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H](CCO)N(C)Cc1ccc(F)cc1F ZINC000649867388 398149248 /nfs/dbraw/zinc/14/92/48/398149248.db2.gz HUSXFWBBSWTZRX-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cc(CN2CC[C@H](C)[C@H](C)C2)nn1C ZINC000336681165 178000603 /nfs/dbraw/zinc/00/06/03/178000603.db2.gz ZKNRHYGJBMDAFU-WDEREUQCSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cc(CN2CC[C@@H](OCC(C)C)C2)on1 ZINC000336698485 178002051 /nfs/dbraw/zinc/00/20/51/178002051.db2.gz KJPREVBHFZYRAF-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN CC[C@H](N[C@@H](C)C(F)F)[C@@H]1CCOC1 ZINC000389956542 398152118 /nfs/dbraw/zinc/15/21/18/398152118.db2.gz ZZPBHBFYSFSXHG-YIZRAAEISA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CNC2CC(OC(C)(C)C)C2)on1 ZINC000352685232 178019350 /nfs/dbraw/zinc/01/93/50/178019350.db2.gz SGEALFZZTUDWHP-UHFFFAOYSA-N 0 1 238.331 2.419 20 0 BEADMN Cc1cc(CN[C@@H](C)C[C@H]2CCCO2)no1 ZINC000309723896 178028979 /nfs/dbraw/zinc/02/89/79/178028979.db2.gz COWOCDOTBJCORK-JOYOIKCWSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)CN1[C@H]1CCOC1=O ZINC000246739142 398172596 /nfs/dbraw/zinc/17/25/96/398172596.db2.gz IHSFITWTCVHLFX-XBFCOCLRSA-N 0 1 245.322 2.180 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000362277391 168336448 /nfs/dbraw/zinc/33/64/48/168336448.db2.gz FKJKFTVRYUFSHA-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)on1 ZINC000374598140 178042314 /nfs/dbraw/zinc/04/23/14/178042314.db2.gz WANNGKFHXNMLHI-CHWSQXEVSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H](c1cnccn1)N1CC[C@]2(CC2(F)F)C1 ZINC000649908589 398183827 /nfs/dbraw/zinc/18/38/27/398183827.db2.gz RWMQYFQSDIXDSC-KOLCDFICSA-N 0 1 239.269 2.269 20 0 BEADMN CC/C=C\CCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913509 398185926 /nfs/dbraw/zinc/18/59/26/398185926.db2.gz MNCSQOBBKFGOLB-NTQVKLLNSA-N 0 1 239.359 2.221 20 0 BEADMN CCC[C@@]1(C)C(=O)NCCN1CCCCCF ZINC000342143615 398189286 /nfs/dbraw/zinc/18/92/86/398189286.db2.gz VQXQJAXAXKVUBS-ZDUSSCGKSA-N 0 1 244.354 2.117 20 0 BEADMN CC[C@H]1CCCCN1Cc1cc(=O)c(O)co1 ZINC000072938421 398190209 /nfs/dbraw/zinc/19/02/09/398190209.db2.gz GUTCRTFCLZZONP-JTQLQIEISA-N 0 1 237.299 2.110 20 0 BEADMN Cc1cc(N(C)C)nc(NCC(C)(C)C)n1 ZINC000309438009 178096301 /nfs/dbraw/zinc/09/63/01/178096301.db2.gz HRSPSRKKHKUJNX-UHFFFAOYSA-N 0 1 222.336 2.309 20 0 BEADMN Cc1csc(-c2nc3cccnc3c(=O)[nH]2)n1 ZINC000491762286 538921888 /nfs/dbraw/zinc/92/18/88/538921888.db2.gz KNEWXXCHIBLLNM-UHFFFAOYSA-N 0 1 244.279 2.162 20 0 BEADMN C[C@@H]1CC[C@H](CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000621987458 370645478 /nfs/dbraw/zinc/64/54/78/370645478.db2.gz WDJOPDRWIZRKOD-MNOVXSKESA-N 0 1 249.358 2.240 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000576283459 365550942 /nfs/dbraw/zinc/55/09/42/365550942.db2.gz QDUVBUBERBPAPJ-CYBMUJFWSA-N 0 1 234.299 2.081 20 0 BEADMN Cc1cc[nH+]c(N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000576283460 365551036 /nfs/dbraw/zinc/55/10/36/365551036.db2.gz QDUVBUBERBPAPJ-ZDUSSCGKSA-N 0 1 234.299 2.081 20 0 BEADMN Cc1cccc(CNC(=O)CN2CCCCC2)c1 ZINC000074693552 398207195 /nfs/dbraw/zinc/20/71/95/398207195.db2.gz OXEKPZUWRUELLD-UHFFFAOYSA-N 0 1 246.354 2.097 20 0 BEADMN Cc1ncncc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000576359881 365577119 /nfs/dbraw/zinc/57/71/19/365577119.db2.gz MLGCWAOSKGRYEC-WCQGTBRESA-N 0 1 223.295 2.326 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)c1coc(CN)c1 ZINC000638997619 398218979 /nfs/dbraw/zinc/21/89/79/398218979.db2.gz RICZDEKWIPVUMC-SECBINFHSA-N 0 1 236.315 2.047 20 0 BEADMN CCC(=O)CCCN1CCC[C@H](OC(F)F)C1 ZINC000649420160 398219571 /nfs/dbraw/zinc/21/95/71/398219571.db2.gz VWSQKNNHIYUGCS-NSHDSACASA-N 0 1 249.301 2.449 20 0 BEADMN Cc1cc(NC2CCC(C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000037756740 178154697 /nfs/dbraw/zinc/15/46/97/178154697.db2.gz IEFDRLKSPKZSPY-UHFFFAOYSA-N 0 1 249.314 2.149 20 0 BEADMN CC(C)OCCN1C[C@@H](C)OC2(CCC2)C1 ZINC000520806550 398210311 /nfs/dbraw/zinc/21/03/11/398210311.db2.gz VYHSCQRXEHMXOP-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN CSCCCSCCCN1CCOCC1 ZINC000413014135 398211544 /nfs/dbraw/zinc/21/15/44/398211544.db2.gz ZORIMOCVKGFJOM-UHFFFAOYSA-N 0 1 249.445 2.195 20 0 BEADMN CCC(CC)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371359671 168347250 /nfs/dbraw/zinc/34/72/50/168347250.db2.gz KYHOLXKPELIUBS-LLVKDONJSA-N 0 1 249.358 2.210 20 0 BEADMN CCC(CC)C[N@@H+](CC)CCC(=O)[O-] ZINC000042487913 168348208 /nfs/dbraw/zinc/34/82/08/168348208.db2.gz USCUTAXGQOVHCD-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Cc1csc(CNC[C@@H]2CC[C@H](C)O2)n1 ZINC000148611850 398226282 /nfs/dbraw/zinc/22/62/82/398226282.db2.gz WQCCYIZYKATLAJ-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@H]1CN(Cc2[nH]ncc2C)C[C@H](CC)O1 ZINC000421385470 192325938 /nfs/dbraw/zinc/32/59/38/192325938.db2.gz GMIGZEUGQAQZMN-RYUDHWBXSA-N 0 1 237.347 2.108 20 0 BEADMN c1nc(CNC[C@H]2CC23CCSCC3)co1 ZINC000421382435 192326032 /nfs/dbraw/zinc/32/60/32/192326032.db2.gz NNEDXQINKWKAHE-SNVBAGLBSA-N 0 1 238.356 2.298 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000342659293 136223324 /nfs/dbraw/zinc/22/33/24/136223324.db2.gz GQXXDUVXROKODR-GMTAPVOTSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@H](C3CC3)C2)n1 ZINC000370501486 178202361 /nfs/dbraw/zinc/20/23/61/178202361.db2.gz WNPPQTRMBFQHFZ-JQWIXIFHSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000370501486 178202362 /nfs/dbraw/zinc/20/23/62/178202362.db2.gz WNPPQTRMBFQHFZ-JQWIXIFHSA-N 0 1 247.342 2.284 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000629877428 361749319 /nfs/dbraw/zinc/74/93/19/361749319.db2.gz MLNMKFAWLBHXPL-ZZKXABKFSA-N 0 1 247.342 2.157 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000629877427 361749553 /nfs/dbraw/zinc/74/95/53/361749553.db2.gz MLNMKFAWLBHXPL-QAVQXKDTSA-N 0 1 247.342 2.157 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)N2CCCC3(CC3)C2)n1 ZINC000192789468 178204140 /nfs/dbraw/zinc/20/41/40/178204140.db2.gz VNFBCNQEUCPDFS-LLVKDONJSA-N 0 1 247.342 2.428 20 0 BEADMN CC(C)n1ccc(CN2CCC[C@H]2C)n1 ZINC000076115466 398231996 /nfs/dbraw/zinc/23/19/96/398231996.db2.gz LCNBBYFQUKXEEI-LLVKDONJSA-N 0 1 207.321 2.448 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)ccc1F ZINC000421401255 192331293 /nfs/dbraw/zinc/33/12/93/192331293.db2.gz UBZXRKRJAJGNMI-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccco2)no1 ZINC000309464868 178226882 /nfs/dbraw/zinc/22/68/82/178226882.db2.gz PRXXOJKROURNTP-SNVBAGLBSA-N 0 1 220.272 2.469 20 0 BEADMN Cc1cc([C@@H](C)NCCc2cscn2)no1 ZINC000309361370 178226941 /nfs/dbraw/zinc/22/69/41/178226941.db2.gz AMXPOQJVONFZNI-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN CCc1ncc(CN2C[C@H](O)CC[C@H]2C)s1 ZINC000421368723 192333980 /nfs/dbraw/zinc/33/39/80/192333980.db2.gz GHKXIMRFLHTIBJ-NXEZZACHSA-N 0 1 240.372 2.051 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CCSC2)no1 ZINC000282741108 178230910 /nfs/dbraw/zinc/23/09/10/178230910.db2.gz NDYCKLFOLSUGTR-RKDXNWHRSA-N 0 1 212.318 2.139 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCCCN1CC ZINC000104551909 168357042 /nfs/dbraw/zinc/35/70/42/168357042.db2.gz NCSULCXKFZLSKW-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CO)C2CCCC2)no1 ZINC000353477871 178253611 /nfs/dbraw/zinc/25/36/11/178253611.db2.gz DBYNBBIRKJAPHU-GWCFXTLKSA-N 0 1 238.331 2.185 20 0 BEADMN CCC[C@H](CC)NC(=O)CN(C)C1CCC1 ZINC000629952262 361797847 /nfs/dbraw/zinc/79/78/47/361797847.db2.gz BJAZVLVCCOCRHE-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN CCN(CC1CC1)C(=O)c1cnccc1N(C)C ZINC000273562366 169811388 /nfs/dbraw/zinc/81/13/88/169811388.db2.gz DLVULDYVBSRGDP-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CO)CC(C)C)no1 ZINC000284118146 178253707 /nfs/dbraw/zinc/25/37/07/178253707.db2.gz NQMPNYJSTIGQCE-WDEREUQCSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@@H]2CCCN2Cc2cnc[nH]2)no1 ZINC000367229248 178241671 /nfs/dbraw/zinc/24/16/71/178241671.db2.gz PLRSKQCQFJQWQE-LBPRGKRZSA-N 0 1 232.287 2.043 20 0 BEADMN Cc1cc([C@H](C)NCCc2nccs2)no1 ZINC000289629716 178249044 /nfs/dbraw/zinc/24/90/44/178249044.db2.gz HFRCUALCMBNKMZ-VIFPVBQESA-N 0 1 237.328 2.333 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CC2(C)C)nn1C ZINC000282418034 178253962 /nfs/dbraw/zinc/25/39/62/178253962.db2.gz CQAYAUUNQCYVSK-GXSJLCMTSA-N 0 1 207.321 2.178 20 0 BEADMN CN(C)Cc1ccc(-c2ncc[nH]2)cc1F ZINC000649438054 398240155 /nfs/dbraw/zinc/24/01/55/398240155.db2.gz RSOURJBOTVRAMK-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C=C[C@@H](CO)C2)oc1C ZINC000337450002 178254287 /nfs/dbraw/zinc/25/42/87/178254287.db2.gz HPYYKTKCOKXVPI-CYZMBNFOSA-N 0 1 235.327 2.484 20 0 BEADMN C[C@H](NCCF)c1ccnn1-c1ccccc1 ZINC000281680950 538939600 /nfs/dbraw/zinc/93/96/00/538939600.db2.gz RKJCPZJFXWCBES-NSHDSACASA-N 0 1 233.290 2.492 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2C=C[C@H](CO)C2)oc1C ZINC000337450003 178257360 /nfs/dbraw/zinc/25/73/60/178257360.db2.gz HPYYKTKCOKXVPI-DRZSPHRISA-N 0 1 235.327 2.484 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2C=C[C@@H](CO)C2)oc1C ZINC000337450004 178258297 /nfs/dbraw/zinc/25/82/97/178258297.db2.gz HPYYKTKCOKXVPI-UHTWSYAYSA-N 0 1 235.327 2.484 20 0 BEADMN CN(CC(=O)NCCCC(C)(C)C)C1CCC1 ZINC000629963186 361810430 /nfs/dbraw/zinc/81/04/30/361810430.db2.gz QLNIZHOGWCCUJW-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN COc1cc2c(cc1OC)[C@@H](NCCF)CC2 ZINC000280874051 538938158 /nfs/dbraw/zinc/93/81/58/538938158.db2.gz AJZRDYRJCVDULQ-NSHDSACASA-N 0 1 239.290 2.250 20 0 BEADMN Cc1cc([C@H]2CCCN2Cc2cnc[nH]2)on1 ZINC000336332473 178266887 /nfs/dbraw/zinc/26/68/87/178266887.db2.gz AUQRGWPPFOPWMN-LLVKDONJSA-N 0 1 232.287 2.043 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C(C)(F)F ZINC000295031272 178276078 /nfs/dbraw/zinc/27/60/78/178276078.db2.gz XOLOOJLXRGROJU-UHFFFAOYSA-N 0 1 239.225 2.465 20 0 BEADMN Cc1cscc1NC(=O)CN(C)C1CCC1 ZINC000629973156 361821352 /nfs/dbraw/zinc/82/13/52/361821352.db2.gz BNFPPPBBVQHNEV-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)[C@@H]1C ZINC000576492364 365609856 /nfs/dbraw/zinc/60/98/56/365609856.db2.gz GAFPVSUQORNVJZ-RKDXNWHRSA-N 0 1 245.282 2.150 20 0 BEADMN C[C@H](NCCOc1ccccc1F)c1ncc[nH]1 ZINC000285528510 538941428 /nfs/dbraw/zinc/94/14/28/538941428.db2.gz FIVCMUYWSZNHTQ-JTQLQIEISA-N 0 1 249.289 2.278 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000094525539 398244958 /nfs/dbraw/zinc/24/49/58/398244958.db2.gz VXAOEPDCHWVMDT-SNVBAGLBSA-N 0 1 233.311 2.469 20 0 BEADMN CCC(CC)c1cc(CN[C@@H](C)[C@H](C)O)on1 ZINC000576576993 365628625 /nfs/dbraw/zinc/62/86/25/365628625.db2.gz MILOLWYWTGSJLN-UWVGGRQHSA-N 0 1 240.347 2.437 20 0 BEADMN CCCC[C@@H](COC)N[C@H](C)c1ncc[nH]1 ZINC000285893177 538942684 /nfs/dbraw/zinc/94/26/84/538942684.db2.gz CIYPXGRSEXPGKG-MNOVXSKESA-N 0 1 225.336 2.266 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C(C)(C)C1CCC1 ZINC000323007298 259309337 /nfs/dbraw/zinc/30/93/37/259309337.db2.gz VWSTZFOGFOXDDJ-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@H](C)[C@H](CNCc1cc(C)no1)OC ZINC000381286884 398247505 /nfs/dbraw/zinc/24/75/05/398247505.db2.gz MREHSSZCHBMDRF-CABZTGNLSA-N 0 1 226.320 2.134 20 0 BEADMN Cc1noc([C@@H]2CCCN2CC2(C)CC2)n1 ZINC000576672534 365653724 /nfs/dbraw/zinc/65/37/24/365653724.db2.gz XAQFXZABGRDCQE-JTQLQIEISA-N 0 1 221.304 2.315 20 0 BEADMN CO[C@H](CN[C@H](C)c1ncc[nH]1)C(C)(C)C ZINC000286360778 538943786 /nfs/dbraw/zinc/94/37/86/538943786.db2.gz ZDPIKJFQYQGMHN-NXEZZACHSA-N 0 1 225.336 2.121 20 0 BEADMN CC(C)SCC[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000576642705 365647945 /nfs/dbraw/zinc/64/79/45/365647945.db2.gz CADWZSCYCSTPKN-SNVBAGLBSA-N 0 1 245.388 2.313 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ncn(C)n1 ZINC000391847855 398262162 /nfs/dbraw/zinc/26/21/62/398262162.db2.gz PMUWQOLBRJJMQW-CYZMBNFOSA-N 0 1 248.374 2.435 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1ncn(C)n1 ZINC000391847860 398262176 /nfs/dbraw/zinc/26/21/76/398262176.db2.gz PMUWQOLBRJJMQW-UHTWSYAYSA-N 0 1 248.374 2.435 20 0 BEADMN CN[C@@H](C)c1cn(C[C@@H](C)c2ccccc2)nn1 ZINC000384990701 398260282 /nfs/dbraw/zinc/26/02/82/398260282.db2.gz VDQXLIZAIJRGLQ-NEPJUHHUSA-N 0 1 244.342 2.362 20 0 BEADMN COc1ncncc1CN(C)C1CCCCC1 ZINC000647998772 398268793 /nfs/dbraw/zinc/26/87/93/398268793.db2.gz IVSHRWQFFGFZRO-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN CC(C)C(C)(C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000335330461 136234578 /nfs/dbraw/zinc/23/45/78/136234578.db2.gz CHLDMJDAKYNZET-NEPJUHHUSA-N 0 1 240.391 2.220 20 0 BEADMN CO[C@]1(C)C[C@H](N(C)Cc2cncnc2)C1(C)C ZINC000180251307 538957636 /nfs/dbraw/zinc/95/76/36/538957636.db2.gz ULVPPWPGVWSTSS-GXTWGEPZSA-N 0 1 249.358 2.112 20 0 BEADMN c1snnc1CNC12CCC(CC1)CC2 ZINC000334673947 398272266 /nfs/dbraw/zinc/27/22/66/398272266.db2.gz AIBXUSRXTDNWHM-UHFFFAOYSA-N 0 1 223.345 2.351 20 0 BEADMN CSC[C@@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000600121502 342679326 /nfs/dbraw/zinc/67/93/26/342679326.db2.gz VKOSPTWFVVSDAX-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN CC(C)OCCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505806 398274686 /nfs/dbraw/zinc/27/46/86/398274686.db2.gz QRCOLTXCRVTAEY-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000650517309 398276088 /nfs/dbraw/zinc/27/60/88/398276088.db2.gz FQIUPBUTZZIZMC-LLVKDONJSA-N 0 1 241.356 2.476 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccc(C)cc1 ZINC000650516952 398277945 /nfs/dbraw/zinc/27/79/45/398277945.db2.gz RZPGCZQYTQTHJR-CYBMUJFWSA-N 0 1 235.327 2.333 20 0 BEADMN Cc1ccc(CN(C)CCc2cncc(C)n2)o1 ZINC000649480555 398278212 /nfs/dbraw/zinc/27/82/12/398278212.db2.gz KJHQKXTVZQDGBG-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN Cc1cnc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000378920845 346859153 /nfs/dbraw/zinc/85/91/53/346859153.db2.gz CKRKIVLNFIIQOU-VWYCJHECSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1oncc1CSc1nc(C2CC2)n[nH]1 ZINC000181748248 538961288 /nfs/dbraw/zinc/96/12/88/538961288.db2.gz DMBGDUKBBZIVGO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1oncc1CSc1n[nH]c(C2CC2)n1 ZINC000181748248 538961289 /nfs/dbraw/zinc/96/12/89/538961289.db2.gz DMBGDUKBBZIVGO-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccco1 ZINC000037161815 538961825 /nfs/dbraw/zinc/96/18/25/538961825.db2.gz HRZYPJMCGVWDIS-MNOVXSKESA-N 0 1 238.331 2.091 20 0 BEADMN CC[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000649479896 398277512 /nfs/dbraw/zinc/27/75/12/398277512.db2.gz OFQMBBMAUFUCSD-GFCCVEGCSA-N 0 1 233.359 2.451 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)C1 ZINC000337692935 168382040 /nfs/dbraw/zinc/38/20/40/168382040.db2.gz QADMCDAYPRIHQS-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1CCCC[C@H]1CN(C)Cc1nnc[nH]1 ZINC000183085027 538966041 /nfs/dbraw/zinc/96/60/41/538966041.db2.gz MNIWHCLMBODDTF-MNOVXSKESA-N 0 1 222.336 2.063 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000183084990 538966097 /nfs/dbraw/zinc/96/60/97/538966097.db2.gz MNIWHCLMBODDTF-GHMZBOCLSA-N 0 1 222.336 2.063 20 0 BEADMN CC[C@@H](NC[C@H](C)OC)c1nccs1 ZINC000167087869 361860824 /nfs/dbraw/zinc/86/08/24/361860824.db2.gz DNARXVJTLJMQRJ-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@H]1CCCCN1Cc1cc2n(n1)CCC2 ZINC000649481348 398279121 /nfs/dbraw/zinc/27/91/21/398279121.db2.gz DTWDQEMZPCUDBA-NSHDSACASA-N 0 1 219.332 2.204 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1C[C@H](C)[C@H]1C ZINC000339568527 168382727 /nfs/dbraw/zinc/38/27/27/168382727.db2.gz XZBTURABHCCREV-AXFHLTTASA-N 0 1 226.364 2.020 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/C(C)(C)C ZINC000493419155 529384819 /nfs/dbraw/zinc/38/48/19/529384819.db2.gz LVGKZILUUUVHCG-ABZNLYFFSA-N 0 1 238.375 2.141 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1C[C@H](C)[C@@H]1C ZINC000339568529 168383003 /nfs/dbraw/zinc/38/30/03/168383003.db2.gz XZBTURABHCCREV-DCAQKATOSA-N 0 1 226.364 2.020 20 0 BEADMN CCC(CC)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052880970 168384337 /nfs/dbraw/zinc/38/43/37/168384337.db2.gz BBMCKHDVILRPIN-CQSZACIVSA-N 0 1 234.343 2.165 20 0 BEADMN C[N@@H+](Cc1ccncc1)C1(C(=O)[O-])CCCCC1 ZINC000041880021 342729976 /nfs/dbraw/zinc/72/99/76/342729976.db2.gz DLQRTXHGIHTAAW-UHFFFAOYSA-N 0 1 248.326 2.301 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000399533882 342736005 /nfs/dbraw/zinc/73/60/05/342736005.db2.gz OCEAMDVXRXBYBH-ZWNOBZJWSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nnsc1CNCc1ccccc1 ZINC000083575254 398284484 /nfs/dbraw/zinc/28/44/84/398284484.db2.gz JGFJXARIMSRNAA-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN OCC[C@H](NCC(F)F)C1CCCCC1 ZINC000183712448 538967665 /nfs/dbraw/zinc/96/76/65/538967665.db2.gz KBAGPTQMLIEDMN-JTQLQIEISA-N 0 1 221.291 2.172 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cc2n(n1)CCC2 ZINC000649485394 398282473 /nfs/dbraw/zinc/28/24/73/398282473.db2.gz KGXLYTWPLQOKCK-LLVKDONJSA-N 0 1 221.348 2.450 20 0 BEADMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(Cl)o2)C1 ZINC000335609715 136236882 /nfs/dbraw/zinc/23/68/82/136236882.db2.gz FAXNHCDCKFJWSJ-VHSXEESVSA-N 0 1 243.734 2.383 20 0 BEADMN COC(=O)c1cccc(CN2CCCC[C@H]2C)n1 ZINC000583974176 342800861 /nfs/dbraw/zinc/80/08/61/342800861.db2.gz SMRNMQDJYFHHQW-LLVKDONJSA-N 0 1 248.326 2.243 20 0 BEADMN CCN(Cc1ccccc1)C(=O)c1cc(C)[nH]n1 ZINC000006942743 342786533 /nfs/dbraw/zinc/78/65/33/342786533.db2.gz HYODDKGNHVOTBP-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN CC(C)Oc1ccnc(CN(C)C2CC2)c1 ZINC000649487645 398285078 /nfs/dbraw/zinc/28/50/78/398285078.db2.gz JCUPTTITWBTRCJ-UHFFFAOYSA-N 0 1 220.316 2.463 20 0 BEADMN Cc1cc(CNC[C@H](O)CC2CCCC2)on1 ZINC000232130636 342789008 /nfs/dbraw/zinc/78/90/08/342789008.db2.gz HWLUNVMXDNNMSI-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1nnsc1CN(C)CCC(C)C ZINC000649490331 398287824 /nfs/dbraw/zinc/28/78/24/398287824.db2.gz AKYNWBUIECMBMB-UHFFFAOYSA-N 0 1 213.350 2.324 20 0 BEADMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)N=C12 ZINC000634583815 342814553 /nfs/dbraw/zinc/81/45/53/342814553.db2.gz IXTJBLRNPUVVDQ-PWSUYJOCSA-N 0 1 228.295 2.431 20 0 BEADMN C[C@@H]1CCc2c(=O)n(Cc3ccccc3)[nH]c21 ZINC000634583815 342814554 /nfs/dbraw/zinc/81/45/54/342814554.db2.gz IXTJBLRNPUVVDQ-PWSUYJOCSA-N 0 1 228.295 2.431 20 0 BEADMN FC(F)C1(CNCc2nccs2)CC1 ZINC000379652069 538979256 /nfs/dbraw/zinc/97/92/56/538979256.db2.gz GFHACVQMBMLNKK-UHFFFAOYSA-N 0 1 218.272 2.278 20 0 BEADMN COCCc1cc(=O)n(-c2cc(C)ccc2C)[nH]1 ZINC000634583890 342820659 /nfs/dbraw/zinc/82/06/59/342820659.db2.gz LNEBPIIEBKYFQE-UHFFFAOYSA-N 0 1 246.310 2.433 20 0 BEADMN CC[C@@H](c1ccccc1)N1CCO[C@H](COC)C1 ZINC000172878205 346865305 /nfs/dbraw/zinc/86/53/05/346865305.db2.gz MONHEQJTMOTJTF-GJZGRUSLSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@@H]1CC[C@H](CSc2nc(C3CC3)n[nH]2)O1 ZINC000189999491 538987101 /nfs/dbraw/zinc/98/71/01/538987101.db2.gz LUSAGRFJNDZAHQ-VXNVDRBHSA-N 0 1 239.344 2.342 20 0 BEADMN C[C@@H]1CC[C@H](CSc2n[nH]c(C3CC3)n2)O1 ZINC000189999491 538987102 /nfs/dbraw/zinc/98/71/02/538987102.db2.gz LUSAGRFJNDZAHQ-VXNVDRBHSA-N 0 1 239.344 2.342 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2cocn2)CS1 ZINC000380255133 538987819 /nfs/dbraw/zinc/98/78/19/538987819.db2.gz QBZBJUVHNTWJIM-ONGXEEELSA-N 0 1 226.345 2.294 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccsc2)no1 ZINC000071001526 361928294 /nfs/dbraw/zinc/92/82/94/361928294.db2.gz CLUNRMBMMINZCA-SSDOTTSWSA-N 0 1 223.301 2.469 20 0 BEADMN C[C@H]1Oc2ccccc2[C@@H]1NC1CSC1 ZINC000379919353 538981640 /nfs/dbraw/zinc/98/16/40/538981640.db2.gz GEFYLBGDKIWEOW-PRHODGIISA-N 0 1 221.325 2.214 20 0 BEADMN Cc1noc([C@H](C)NCC2(C(C)C)CC2)n1 ZINC000381464519 539001005 /nfs/dbraw/zinc/00/10/05/539001005.db2.gz KVFDXZDMKJTXKP-VIFPVBQESA-N 0 1 223.320 2.465 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nc2c(s1)CCC2 ZINC000381476913 539001698 /nfs/dbraw/zinc/00/16/98/539001698.db2.gz RFGBNGHTJOYFMH-DTWKUNHWSA-N 0 1 240.372 2.145 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CCC[C@H]1C1CCC1 ZINC000193137201 539002478 /nfs/dbraw/zinc/00/24/78/539002478.db2.gz YCFOGWYFHSLCLK-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN Cc1ccsc1CNCc1cc(C)ncn1 ZINC000381584872 539004109 /nfs/dbraw/zinc/00/41/09/539004109.db2.gz HBMRVXYJEGKMCQ-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCN(Cc1nc(C)c(C)o1)C[C@H]1CCOC1 ZINC000069173032 342837763 /nfs/dbraw/zinc/83/77/63/342837763.db2.gz DYFJJIKUZIUKET-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC(F)(F)C2)nn1 ZINC000384094342 539012586 /nfs/dbraw/zinc/01/25/86/539012586.db2.gz ZMQNDIKFMZGVTQ-VIFPVBQESA-N 0 1 244.289 2.136 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@H]2CCCO2)s1 ZINC000381108261 538994916 /nfs/dbraw/zinc/99/49/16/538994916.db2.gz ZGUXNPKIZBXOMA-MWLCHTKSSA-N 0 1 240.372 2.363 20 0 BEADMN Fc1ccc(-c2noc(CNCC3CC3)n2)cc1 ZINC000036884631 398296432 /nfs/dbraw/zinc/29/64/32/398296432.db2.gz ITFXHAKLMNJZKZ-UHFFFAOYSA-N 0 1 247.273 2.375 20 0 BEADMN CCc1nnc(CN[C@@H]2CS[C@@H](C)C2)s1 ZINC000391851854 398296736 /nfs/dbraw/zinc/29/67/36/398296736.db2.gz QXFMCVHHTFMGKC-YUMQZZPRSA-N 0 1 243.401 2.084 20 0 BEADMN C[C@@H]1[C@H](O)CCN1c1ccnc2cc(F)ccc21 ZINC000649502215 398297388 /nfs/dbraw/zinc/29/73/88/398297388.db2.gz SUTYQHKHBHLDEN-YMTOWFKASA-N 0 1 246.285 2.333 20 0 BEADMN C[C@H](CNC(=O)[C@H](C)N(C)C)C1CCCCC1 ZINC000620370899 398298014 /nfs/dbraw/zinc/29/80/14/398298014.db2.gz LZMKLPGAGFSZHS-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CC1(C)CC[C@H](CNCc2nccs2)O1 ZINC000389701393 539017384 /nfs/dbraw/zinc/01/73/84/539017384.db2.gz JVPKWIJUBRPQMQ-SECBINFHSA-N 0 1 226.345 2.190 20 0 BEADMN C[C@@H]1COCC[C@H]1N[C@H]1CCCC1(F)F ZINC000389694944 539017403 /nfs/dbraw/zinc/01/74/03/539017403.db2.gz IPXOWESINQCPOH-BBBLOLIVSA-N 0 1 219.275 2.189 20 0 BEADMN FC1(F)CCC[C@H]1N[C@H]1CCCOCC1 ZINC000389912279 539018429 /nfs/dbraw/zinc/01/84/29/539018429.db2.gz JUECHYOVJBAZJI-VHSXEESVSA-N 0 1 219.275 2.333 20 0 BEADMN CC[C@]1(NCc2csc(C)n2)CCOC1 ZINC000389952399 539018971 /nfs/dbraw/zinc/01/89/71/539018971.db2.gz SQFZZKIPSWCZPM-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000335644727 136243520 /nfs/dbraw/zinc/24/35/20/136243520.db2.gz UPGHMTYLBHTYBK-AAEUAGOBSA-N 0 1 221.348 2.431 20 0 BEADMN FC(F)OC[C@@H]1CCN(Cc2cncs2)C1 ZINC000348871819 136242743 /nfs/dbraw/zinc/24/27/43/136242743.db2.gz YIVGYLLMQJSNGR-MRVPVSSYSA-N 0 1 248.298 2.204 20 0 BEADMN FC(F)OC[C@H]1CCN(Cc2cncs2)C1 ZINC000348871820 136242779 /nfs/dbraw/zinc/24/27/79/136242779.db2.gz YIVGYLLMQJSNGR-QMMMGPOBSA-N 0 1 248.298 2.204 20 0 BEADMN FC(F)OC[C@@H]1CCN(Cc2ccco2)C1 ZINC000348872201 136243107 /nfs/dbraw/zinc/24/31/07/136243107.db2.gz ZUYFFENJNINQPP-SECBINFHSA-N 0 1 231.242 2.341 20 0 BEADMN CCN(CC)CC[NH2+][C@@H](C)c1cncs1 ZINC000132052139 398303116 /nfs/dbraw/zinc/30/31/16/398303116.db2.gz PXMZNRCVHIFYQX-JTQLQIEISA-N 0 1 227.377 2.136 20 0 BEADMN Clc1csc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000165015739 342868485 /nfs/dbraw/zinc/86/84/85/342868485.db2.gz HAAOOQDIENDSIA-SSDOTTSWSA-N 0 1 243.763 2.445 20 0 BEADMN CCN1N=C(c2ccc(F)c(C)c2)CC1=O ZINC000634584432 342894521 /nfs/dbraw/zinc/89/45/21/342894521.db2.gz BSZPBEZDXBGNJE-UHFFFAOYSA-N 0 1 220.247 2.090 20 0 BEADMN COc1cncc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000625152481 342895492 /nfs/dbraw/zinc/89/54/92/342895492.db2.gz PDBUHMXUQLXGIQ-GHMZBOCLSA-N 0 1 235.331 2.248 20 0 BEADMN COc1cncc(CN2CCCC(C)(C)C2)n1 ZINC000625165390 342898758 /nfs/dbraw/zinc/89/87/58/342898758.db2.gz MOYXRKUIYHKOQV-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CC2CCC2)C1 ZINC000232776590 342879998 /nfs/dbraw/zinc/87/99/98/342879998.db2.gz KVUNRSMFTJCDRT-CYBMUJFWSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+](C2CCCC2)C1 ZINC000232774685 342880059 /nfs/dbraw/zinc/88/00/59/342880059.db2.gz WBHCLZQETHTDLN-CYBMUJFWSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232780748 342880330 /nfs/dbraw/zinc/88/03/30/342880330.db2.gz WRAJFGIVLWGZNH-ZDUSSCGKSA-N 0 1 225.332 2.385 20 0 BEADMN CSc1ccc(NC(=O)c2cn[nH]c2C)cn1 ZINC000336478036 398319690 /nfs/dbraw/zinc/31/96/90/398319690.db2.gz QUYVMEHXVNZFMG-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CCCC[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232962821 342892400 /nfs/dbraw/zinc/89/24/00/342892400.db2.gz HFGNCWRZXYQKCM-LBPRGKRZSA-N 0 1 213.321 2.219 20 0 BEADMN COc1cncc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000625189210 342905242 /nfs/dbraw/zinc/90/52/42/342905242.db2.gz VUOURSTWTSDZAA-MNOVXSKESA-N 0 1 235.331 2.106 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(C)ccc1F ZINC000233455773 342905312 /nfs/dbraw/zinc/90/53/12/342905312.db2.gz IWGHIYOMRDRIGS-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN COc1c(O)cccc1CN(C)CCSC ZINC000352608182 398322389 /nfs/dbraw/zinc/32/23/89/398322389.db2.gz GNZLQBPKZMIOHL-UHFFFAOYSA-N 0 1 241.356 2.196 20 0 BEADMN CC[C@@]1(C)CCCN(Cc2cncc(OC)n2)C1 ZINC000625201591 342909758 /nfs/dbraw/zinc/90/97/58/342909758.db2.gz YPKRPRYNZZOCRA-AWEZNQCLSA-N 0 1 249.358 2.497 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)ccc1F ZINC000233879630 342913298 /nfs/dbraw/zinc/91/32/98/342913298.db2.gz VZKYMKZJYGQBIF-GFCCVEGCSA-N 0 1 239.290 2.429 20 0 BEADMN CCCCCNC(=O)c1n[nH]c2ccccc21 ZINC000017322855 342923539 /nfs/dbraw/zinc/92/35/39/342923539.db2.gz VOVMXVNVRKKWSE-UHFFFAOYSA-N 0 1 231.299 2.483 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634585317 342928316 /nfs/dbraw/zinc/92/83/16/342928316.db2.gz CQDSMKJEUXATRF-NOZJJQNGSA-N 0 1 244.294 2.444 20 0 BEADMN COC(=O)CCCN1CCc2sccc2C1 ZINC000037286313 342926295 /nfs/dbraw/zinc/92/62/95/342926295.db2.gz VVVTYMLOZOHECH-UHFFFAOYSA-N 0 1 239.340 2.059 20 0 BEADMN CCN(CC)C(=O)C[N@@H+](C)[C@H](C)CC(C)C ZINC000045769755 342919053 /nfs/dbraw/zinc/91/90/53/342919053.db2.gz UGHUSRPQJQCOTI-GFCCVEGCSA-N 0 1 228.380 2.221 20 0 BEADMN Cc1ccc(C[N@@H+](C)CC(=O)[O-])c(Cl)c1 ZINC000234277792 342919416 /nfs/dbraw/zinc/91/94/16/342919416.db2.gz LVAQDFMDARZSNL-UHFFFAOYSA-N 0 1 227.691 2.165 20 0 BEADMN CCCCN1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634585336 342928161 /nfs/dbraw/zinc/92/81/61/342928161.db2.gz DEKXEHMIXWAZIL-LBPRGKRZSA-N 0 1 228.295 2.205 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCCC(C)(C)C2)CC(=O)N1 ZINC000514652608 398326996 /nfs/dbraw/zinc/32/69/96/398326996.db2.gz GEMJJSOMHWVEBD-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CN(CC(=O)OC)[C@H](C)CC)OC ZINC000602647476 349658846 /nfs/dbraw/zinc/65/88/46/349658846.db2.gz KOSZYDYTVWWPRW-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@@H](CN(CC(=O)OC)[C@H](C)CC)OC ZINC000602647473 349658867 /nfs/dbraw/zinc/65/88/67/349658867.db2.gz KOSZYDYTVWWPRW-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@@H]1CCc2c(=O)n(CC(C)(C)C)[nH]c21 ZINC000634588369 342934134 /nfs/dbraw/zinc/93/41/34/342934134.db2.gz QHPFDPPMNBLFIG-BDAKNGLRSA-N 0 1 208.305 2.277 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000628155002 398336210 /nfs/dbraw/zinc/33/62/10/398336210.db2.gz NHCSSOYDUSXHNU-NWDGAFQWSA-N 0 1 219.332 2.483 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@H]2CC)[nH]1 ZINC000602671598 349665870 /nfs/dbraw/zinc/66/58/70/349665870.db2.gz VIDJGZZUGUWJJL-LLVKDONJSA-N 0 1 236.315 2.176 20 0 BEADMN Cc1[nH]n(-c2ccccc2F)c(=O)c1C ZINC000037947623 398335345 /nfs/dbraw/zinc/33/53/45/398335345.db2.gz GCVXYNHOJXZPPN-SSDOTTSWSA-N 0 1 206.220 2.184 20 0 BEADMN CCCCc1cc(=O)n(Cc2cccnc2)[nH]1 ZINC000634591793 342943641 /nfs/dbraw/zinc/94/36/41/342943641.db2.gz NQWUBLHERGSUOI-UHFFFAOYSA-N 0 1 231.299 2.360 20 0 BEADMN Cc1cc(F)cc(NC(=O)[C@@H](C)N(C)C)c1 ZINC000635713816 398344714 /nfs/dbraw/zinc/34/47/14/398344714.db2.gz LHACIQXWKVEFDM-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N(C)CCC1CC1 ZINC000351751517 136251233 /nfs/dbraw/zinc/25/12/33/136251233.db2.gz IZSSGOCWAYVFBJ-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CCC[C@@H]1C[N@@H+](CCCCF)CCO1 ZINC000351761005 136252227 /nfs/dbraw/zinc/25/22/27/136252227.db2.gz VXAXZQQJWZDMPL-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN CCC[C@@H]1CN(CCCCF)CCO1 ZINC000351761005 136252228 /nfs/dbraw/zinc/25/22/28/136252228.db2.gz VXAXZQQJWZDMPL-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN CCCCCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000019476898 342949682 /nfs/dbraw/zinc/94/96/82/342949682.db2.gz ONIDIXSIRZKGCC-AWEZNQCLSA-N 0 1 246.354 2.007 20 0 BEADMN CC[C@@]1(C)COCC[N@H+]1CCCCF ZINC000351761365 136252537 /nfs/dbraw/zinc/25/25/37/136252537.db2.gz XHQLBHIEEHCWFL-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN C[C@@H](F)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351760629 136252553 /nfs/dbraw/zinc/25/25/53/136252553.db2.gz VIWICWLQVCUJRO-ZJUUUORDSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@@H](F)CCN1CCC[C@H]1c1ncc[nH]1 ZINC000351760629 136252554 /nfs/dbraw/zinc/25/25/54/136252554.db2.gz VIWICWLQVCUJRO-ZJUUUORDSA-N 0 1 211.284 2.295 20 0 BEADMN COc1ccc(-n2[nH]c(C)c(C3CC3)c2=O)cc1 ZINC000634593557 342951396 /nfs/dbraw/zinc/95/13/96/342951396.db2.gz SGKUBHXXMYCEFW-CYBMUJFWSA-N 0 1 244.294 2.444 20 0 BEADMN C[C@@H](NCc1cccnc1)c1ccncc1 ZINC000020140806 342971702 /nfs/dbraw/zinc/97/17/02/342971702.db2.gz LYNWRNDHMKBNOL-LLVKDONJSA-N 0 1 213.284 2.327 20 0 BEADMN C[C@@H](NCc1cnn(C)c1)c1cccc(F)c1 ZINC000020148035 342972053 /nfs/dbraw/zinc/97/20/53/342972053.db2.gz CDAMOTCCLABXQT-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN Cc1ccc(N2N=C3CCCC[C@H]3C2=O)nc1 ZINC000634597875 342973794 /nfs/dbraw/zinc/97/37/94/342973794.db2.gz XLDBWRXUQOLNPM-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN C[C@H](C1CC1)n1[nH]c(C2CCC2)cc1=O ZINC000634597453 342974094 /nfs/dbraw/zinc/97/40/94/342974094.db2.gz KOYBDBNUWSLQLH-MRVPVSSYSA-N 0 1 206.289 2.173 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)n[nH]1 ZINC001638398907 1172019760 /nfs/dbraw/zinc/01/97/60/1172019760.db2.gz YPGXQMWUUKFBKE-ZMLRMANQSA-N 0 1 249.358 2.154 20 0 BEADMN Cn1cc(CN[C@H]2CCCc3occc32)cn1 ZINC000020204952 342976581 /nfs/dbraw/zinc/97/65/81/342976581.db2.gz YKKNDHOMUBJSRY-LBPRGKRZSA-N 0 1 231.299 2.180 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352004724 534931111 /nfs/dbraw/zinc/93/11/11/534931111.db2.gz POAKNOMBVIQKOY-FRRDWIJNSA-N 0 1 240.391 2.220 20 0 BEADMN CCCCC1=NN(C[C@@H]2CCCO2)C(=O)[C@@H]1C ZINC000634598007 342979547 /nfs/dbraw/zinc/97/95/47/342979547.db2.gz BHZJFQSCPVZDCH-MNOVXSKESA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n(C[C@@H]2CCCO2)c(=O)c1C ZINC000634598007 342979549 /nfs/dbraw/zinc/97/95/49/342979549.db2.gz BHZJFQSCPVZDCH-MNOVXSKESA-N 0 1 238.331 2.190 20 0 BEADMN CSC1CCN(Cc2snnc2C)CC1 ZINC000602724759 349714328 /nfs/dbraw/zinc/71/43/28/349714328.db2.gz AOJJTFGXAIQXOP-UHFFFAOYSA-N 0 1 243.401 2.174 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])Cc1ccccc1 ZINC000020474637 342986298 /nfs/dbraw/zinc/98/62/98/342986298.db2.gz WOAJPQPYRLQMBS-UHFFFAOYSA-N 0 1 221.300 2.373 20 0 BEADMN CC[C@H](C)c1cc(=O)n(CCc2ccncc2)[nH]1 ZINC000634599147 342987189 /nfs/dbraw/zinc/98/71/89/342987189.db2.gz BKNIUINXRUDSJF-NSHDSACASA-N 0 1 245.326 2.259 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(F)cc2F)[nH]1 ZINC000634601315 342996003 /nfs/dbraw/zinc/99/60/03/342996003.db2.gz INVADJGUYLRQJI-UHFFFAOYSA-N 0 1 224.210 2.073 20 0 BEADMN COCCc1cc(=O)n(Cc2cccc(C)c2)[nH]1 ZINC000634604284 342998467 /nfs/dbraw/zinc/99/84/67/342998467.db2.gz ANRAKJSIYVFRHG-UHFFFAOYSA-N 0 1 246.310 2.120 20 0 BEADMN CCC(CC)n1[nH]c(C[C@@H]2CCCO2)cc1=O ZINC000634605415 342999554 /nfs/dbraw/zinc/99/95/54/342999554.db2.gz LJDVGAOAXQXMBS-LBPRGKRZSA-N 0 1 238.331 2.332 20 0 BEADMN CCC(CC)n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000634605748 343000408 /nfs/dbraw/zinc/00/04/08/343000408.db2.gz VQUNNOBLZSDWJG-WPRPVWTQSA-N 0 1 208.305 2.419 20 0 BEADMN Cc1[nH]n(-c2ccncc2C)c(=O)c1C1CC1 ZINC000634606159 343001138 /nfs/dbraw/zinc/00/11/38/343001138.db2.gz ITHVDBFFPNDNLM-GFCCVEGCSA-N 0 1 229.283 2.139 20 0 BEADMN CCN(C#N)CCN1CCc2ccccc2[C@H]1C ZINC000602777480 349743460 /nfs/dbraw/zinc/74/34/60/349743460.db2.gz WSXNDZNAFYJYCB-CYBMUJFWSA-N 0 1 243.354 2.409 20 0 BEADMN CCN(C#N)CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000602780441 349746427 /nfs/dbraw/zinc/74/64/27/349746427.db2.gz UNVDUGOAOFRBSL-ZFWWWQNUSA-N 0 1 243.354 2.482 20 0 BEADMN CCCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000335902224 136259629 /nfs/dbraw/zinc/25/96/29/136259629.db2.gz VROSUXAFCIQRFA-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccncc3Cl)[nH]c21 ZINC000634608624 343004363 /nfs/dbraw/zinc/00/43/63/343004363.db2.gz IAOWPLJLSGMSSJ-YUMQZZPRSA-N 0 1 249.701 2.484 20 0 BEADMN CCCCC1=NN([C@H](C)COC)C(=O)[C@@H]1C ZINC000634610958 343005314 /nfs/dbraw/zinc/00/53/14/343005314.db2.gz KLYUWIJFEUPAGX-NXEZZACHSA-N 0 1 226.320 2.046 20 0 BEADMN CCCCc1[nH]n([C@H](C)COC)c(=O)c1C ZINC000634610958 343005316 /nfs/dbraw/zinc/00/53/16/343005316.db2.gz KLYUWIJFEUPAGX-NXEZZACHSA-N 0 1 226.320 2.046 20 0 BEADMN COc1ccc(CCn2[nH]c(C)c(C)c2=O)cc1 ZINC000634612988 343010041 /nfs/dbraw/zinc/01/00/41/343010041.db2.gz MHXONVMINBGKOZ-SNVBAGLBSA-N 0 1 246.310 2.092 20 0 BEADMN CCSCC[C@@H](C)N(C)CC(C)=O ZINC000602791361 349734873 /nfs/dbraw/zinc/73/48/73/349734873.db2.gz ADMMECXJXNCZCI-SECBINFHSA-N 0 1 203.351 2.039 20 0 BEADMN C[C@@H]1CN([C@H](C(=O)OC(C)(C)C)C2CC2)[C@@H]1C ZINC000602834040 349760955 /nfs/dbraw/zinc/76/09/55/349760955.db2.gz YSZBZSYCQJPDBN-FOGDFJRCSA-N 0 1 239.359 2.447 20 0 BEADMN COc1cc(F)cc(-n2[nH]c(C)c(C)c2=O)c1 ZINC000634618403 343016104 /nfs/dbraw/zinc/01/61/04/343016104.db2.gz PVXZZADSTVESEC-ZETCQYMHSA-N 0 1 236.246 2.193 20 0 BEADMN CC(C)[C@@H]1CCc2[nH]n(C3CC3)c(=O)c2C1 ZINC000634618652 343016703 /nfs/dbraw/zinc/01/67/03/343016703.db2.gz ZHSMALZAJWGXGG-KOLCDFICSA-N 0 1 220.316 2.419 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)CC[C@H]3C)ccn1 ZINC000634618712 343017763 /nfs/dbraw/zinc/01/77/63/343017763.db2.gz BERWUWGENDWAMB-KCJUWKMLSA-N 0 1 229.283 2.139 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CC[C@H]2C ZINC000634619054 343018168 /nfs/dbraw/zinc/01/81/68/343018168.db2.gz NKGISWKVOBKLJQ-NXEZZACHSA-N 0 1 208.305 2.421 20 0 BEADMN CC[C@H](C)c1cc(=O)n(CCOC(C)C)[nH]1 ZINC000634620109 343018856 /nfs/dbraw/zinc/01/88/56/343018856.db2.gz TZEWQGGIXFZSCV-JTQLQIEISA-N 0 1 226.320 2.046 20 0 BEADMN CC(C)OCCn1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000634620276 343019037 /nfs/dbraw/zinc/01/90/37/343019037.db2.gz YMUQARGKJMKLAP-WDEREUQCSA-N 0 1 238.331 2.046 20 0 BEADMN CCc1nc(CN[C@@H]2CCC[C@H]2OC)cs1 ZINC000049948602 343019303 /nfs/dbraw/zinc/01/93/03/343019303.db2.gz KCBJUIAGSXECAA-GHMZBOCLSA-N 0 1 240.372 2.363 20 0 BEADMN CCOC(=O)CN(CC)CC1CCCCC1 ZINC000049948091 343019338 /nfs/dbraw/zinc/01/93/38/343019338.db2.gz VLFBATMFTDXQOF-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCc1[nH]n(-c2ccc3n[nH]cc3c2)c(=O)c1C ZINC000634620545 343019644 /nfs/dbraw/zinc/01/96/44/343019644.db2.gz HOJRYQDPJZEXAX-QMMMGPOBSA-N 0 1 242.282 2.312 20 0 BEADMN CCCCc1cc(=O)n(CC(F)F)[nH]1 ZINC000634622756 343023399 /nfs/dbraw/zinc/02/33/99/343023399.db2.gz NVDATYDQYPCKLG-UHFFFAOYSA-N 0 1 204.220 2.030 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(C23CC(C2)C3)[nH]1 ZINC000634625054 343025317 /nfs/dbraw/zinc/02/53/17/343025317.db2.gz XDYRCLDOSMLEQE-YDNLMGDJSA-N 0 1 206.289 2.173 20 0 BEADMN CCCCC1=NN([C@H]2CCCOC2)C(=O)[C@H]1C ZINC000634623191 343026892 /nfs/dbraw/zinc/02/68/92/343026892.db2.gz YYXRNPQIPGYVPG-QWRGUYRKSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n([C@H]2CCCOC2)c(=O)c1C ZINC000634623191 343026894 /nfs/dbraw/zinc/02/68/94/343026894.db2.gz YYXRNPQIPGYVPG-QWRGUYRKSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCC1=NN([C@@H]2CCCOC2)C(=O)[C@@H]1C ZINC000634623189 343026904 /nfs/dbraw/zinc/02/69/04/343026904.db2.gz YYXRNPQIPGYVPG-GHMZBOCLSA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n([C@@H]2CCCOC2)c(=O)c1C ZINC000634623189 343026905 /nfs/dbraw/zinc/02/69/05/343026905.db2.gz YYXRNPQIPGYVPG-GHMZBOCLSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@@H](c1ccncc1)N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000634626351 343028134 /nfs/dbraw/zinc/02/81/34/343028134.db2.gz BYNQCOGTUMNMEY-JFGNBEQYSA-N 0 1 243.310 2.387 20 0 BEADMN C[C@@H](c1ccncc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634626351 343028136 /nfs/dbraw/zinc/02/81/36/343028136.db2.gz BYNQCOGTUMNMEY-JFGNBEQYSA-N 0 1 243.310 2.387 20 0 BEADMN C[C@@H](N1N=C2[C@H](C)CC[C@@H]2C1=O)C(F)(F)F ZINC000634631008 343041362 /nfs/dbraw/zinc/04/13/62/343041362.db2.gz JISQSMQPWPZWQI-QYNIQEEDSA-N 0 1 234.221 2.182 20 0 BEADMN CCC1=NN([C@@H](C)C(F)(F)F)C(=O)[C@H]1C ZINC000634631239 343041607 /nfs/dbraw/zinc/04/16/07/343041607.db2.gz OKKKMVKNOMPKMI-WDSKDSINSA-N 0 1 222.210 2.182 20 0 BEADMN CCc1[nH]n([C@@H](C)C(F)(F)F)c(=O)c1C ZINC000634631239 343041608 /nfs/dbraw/zinc/04/16/08/343041608.db2.gz OKKKMVKNOMPKMI-WDSKDSINSA-N 0 1 222.210 2.182 20 0 BEADMN CC(C)N(Cc1ccc2[nH]cnc2c1)C1COC1 ZINC000584331783 346917888 /nfs/dbraw/zinc/91/78/88/346917888.db2.gz LXQLRPLSRZPQTF-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN CC(C)N(Cc1ccc2nc[nH]c2c1)C1COC1 ZINC000584331783 346917890 /nfs/dbraw/zinc/91/78/90/346917890.db2.gz LXQLRPLSRZPQTF-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN CCc1cc(=O)n([C@@H](C)c2ccncc2)[nH]1 ZINC000634626972 343036539 /nfs/dbraw/zinc/03/65/39/343036539.db2.gz RASUSNPKMCZWQP-VIFPVBQESA-N 0 1 217.272 2.141 20 0 BEADMN C[C@@H]1CCC2=NN(c3ccncc3F)C(=O)[C@@H]2C1 ZINC000634634080 343046869 /nfs/dbraw/zinc/04/68/69/343046869.db2.gz NSSGHUBERNZMGD-RKDXNWHRSA-N 0 1 247.273 2.360 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3F)c(=O)c2C1 ZINC000634634080 343046870 /nfs/dbraw/zinc/04/68/70/343046870.db2.gz NSSGHUBERNZMGD-RKDXNWHRSA-N 0 1 247.273 2.360 20 0 BEADMN Cn1cnc(CN[C@H]2CCCC(C)(C)CC2)n1 ZINC000236140085 343079874 /nfs/dbraw/zinc/07/98/74/343079874.db2.gz HQDBKGOOHCFXHN-NSHDSACASA-N 0 1 236.363 2.264 20 0 BEADMN CCCC[C@@H](CCC)CNC(=O)c1cnn[nH]1 ZINC000177297117 346925887 /nfs/dbraw/zinc/92/58/87/346925887.db2.gz GURXOOLROQOQTP-SNVBAGLBSA-N 0 1 238.335 2.141 20 0 BEADMN C[C@H](Cc1ccsc1)[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000308841101 346925109 /nfs/dbraw/zinc/92/51/09/346925109.db2.gz KDLURBOFWRHOEL-RKDXNWHRSA-N 0 1 227.329 2.084 20 0 BEADMN CC(C)N1N=C(c2ccccc2)CC1=O ZINC000104167089 343075511 /nfs/dbraw/zinc/07/55/11/343075511.db2.gz KDLINXKSDQSVBP-UHFFFAOYSA-N 0 1 202.257 2.031 20 0 BEADMN CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@@H](C)O ZINC000386736845 343106621 /nfs/dbraw/zinc/10/66/21/343106621.db2.gz CLFQOHXOBRIHKI-SCZZXKLOSA-N 0 1 243.734 2.295 20 0 BEADMN CN[C@@H](C)c1cn(C/C=C\c2ccccc2)nn1 ZINC000640833417 362062161 /nfs/dbraw/zinc/06/21/61/362062161.db2.gz OMLZSJHMGNYBNM-PWWFUAJNSA-N 0 1 242.326 2.272 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2cccc(F)c2)nn1 ZINC000640992561 362104422 /nfs/dbraw/zinc/10/44/22/362104422.db2.gz WRSYFQIARXKHNP-NXEZZACHSA-N 0 1 248.305 2.307 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2cccc(F)c2)nn1 ZINC000640992563 362104440 /nfs/dbraw/zinc/10/44/40/362104440.db2.gz WRSYFQIARXKHNP-VHSXEESVSA-N 0 1 248.305 2.307 20 0 BEADMN CC[C@@H](C)n1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000640939360 362077510 /nfs/dbraw/zinc/07/75/10/362077510.db2.gz SJFLGNDRGMBQCI-RNCFNFMXSA-N 0 1 248.305 2.436 20 0 BEADMN CC[C@@H](C)n1cc([C@@H](N)c2ccccc2)nn1 ZINC000640939587 362078899 /nfs/dbraw/zinc/07/88/99/362078899.db2.gz TXQVNRFHFNXESH-MFKMUULPSA-N 0 1 230.315 2.297 20 0 BEADMN CC[C@H](C)Cn1cc([C@@H](N)c2ccccc2)nn1 ZINC000640940539 362087459 /nfs/dbraw/zinc/08/74/59/362087459.db2.gz VPBJILTYIAABMX-FZMZJTMJSA-N 0 1 244.342 2.372 20 0 BEADMN CNC(C)(C)c1cn(CCC2CCCC2)nn1 ZINC000640998417 362110227 /nfs/dbraw/zinc/11/02/27/362110227.db2.gz CLTSTOUGLRRVAS-UHFFFAOYSA-N 0 1 236.363 2.313 20 0 BEADMN Cc1nc(C)c(CN2CC(C3CC3)C2)o1 ZINC000628288350 346929163 /nfs/dbraw/zinc/92/91/63/346929163.db2.gz IHNFXDBQDZWJPE-UHFFFAOYSA-N 0 1 206.289 2.133 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1ccccc1 ZINC000092925068 343148428 /nfs/dbraw/zinc/14/84/28/343148428.db2.gz ZODSUTCTJWBRBN-AAEUAGOBSA-N 0 1 233.311 2.024 20 0 BEADMN CCCN(CCC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000576886002 365715129 /nfs/dbraw/zinc/71/51/29/365715129.db2.gz TUCLDCPLCMRHAM-LLVKDONJSA-N 0 1 237.347 2.237 20 0 BEADMN Fc1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000020473712 343140310 /nfs/dbraw/zinc/14/03/10/343140310.db2.gz YCDLTWDQNHQKPG-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cn2)CC[C@@H]1C ZINC000130279520 343180744 /nfs/dbraw/zinc/18/07/44/343180744.db2.gz SHCJGORTJVWIHS-QWRGUYRKSA-N 0 1 248.326 2.258 20 0 BEADMN CCc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)nc(C)[nH+]1 ZINC000097065297 343154999 /nfs/dbraw/zinc/15/49/99/343154999.db2.gz QYQIBRJLNYPTTJ-GXSJLCMTSA-N 0 1 249.314 2.013 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000097903979 343155419 /nfs/dbraw/zinc/15/54/19/343155419.db2.gz FWLJCSYZUMEUJW-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762909 343157186 /nfs/dbraw/zinc/15/71/86/343157186.db2.gz AKLKYUMWXVWFGY-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CC1 ZINC000094762834 343157243 /nfs/dbraw/zinc/15/72/43/343157243.db2.gz WJSNCMFUHHYPGT-UHFFFAOYSA-N 0 1 234.299 2.012 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(C(F)F)cc1 ZINC000122470250 343159618 /nfs/dbraw/zinc/15/96/18/343159618.db2.gz SSAHWCUSHSIRDQ-UHFFFAOYSA-N 0 1 229.226 2.141 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C(=O)[O-])C1 ZINC000129395446 343177022 /nfs/dbraw/zinc/17/70/22/343177022.db2.gz IQEFYNGBSIGLOP-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000158011225 343200087 /nfs/dbraw/zinc/20/00/87/343200087.db2.gz YBNMSTJXFWXJLK-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000159679791 343202574 /nfs/dbraw/zinc/20/25/74/343202574.db2.gz LRLCARXUADOVNU-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCCF ZINC000161055756 343203905 /nfs/dbraw/zinc/20/39/05/343203905.db2.gz WTSHPMGNVLJAJD-GFCCVEGCSA-N 0 1 237.274 2.030 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000162053641 343205024 /nfs/dbraw/zinc/20/50/24/343205024.db2.gz IRXJSWQUIWMALX-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000162098983 343205449 /nfs/dbraw/zinc/20/54/49/343205449.db2.gz NFCHJMQVECJBBT-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000163791290 343207364 /nfs/dbraw/zinc/20/73/64/343207364.db2.gz RSARGDAKGCJMDJ-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000164540436 343207631 /nfs/dbraw/zinc/20/76/31/343207631.db2.gz OLTXYGYFIDSFMK-NXEZZACHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1[C@H](C)SCC[N@H+]1CCCCCC(=O)[O-] ZINC000132554958 343188874 /nfs/dbraw/zinc/18/88/74/343188874.db2.gz NCJZNFMMDYPLNX-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000133107920 343189761 /nfs/dbraw/zinc/18/97/61/343189761.db2.gz UJNPONJUHAFQHW-GHMZBOCLSA-N 0 1 245.388 2.457 20 0 BEADMN CC(C)c1cnc(CNCC[C@H](C)O)s1 ZINC000134849848 343190987 /nfs/dbraw/zinc/19/09/87/343190987.db2.gz IJDVUORGNOQMCT-VIFPVBQESA-N 0 1 228.361 2.127 20 0 BEADMN COc1cncc(CN2CC[C@H](C)C(C)(C)C2)n1 ZINC000625325305 343233047 /nfs/dbraw/zinc/23/30/47/343233047.db2.gz XSUAUYZRDRSBQS-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCCC2(CC2)C1 ZINC000625332604 343237410 /nfs/dbraw/zinc/23/74/10/343237410.db2.gz WTYQKSQJTOCABV-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCCF ZINC000088026089 136283966 /nfs/dbraw/zinc/28/39/66/136283966.db2.gz YYEJEGFINWCMAK-SNVBAGLBSA-N 0 1 217.284 2.065 20 0 BEADMN CCCCOc1ccc(NC(=O)CN)c(C)c1 ZINC000033465809 343255009 /nfs/dbraw/zinc/25/50/09/343255009.db2.gz PSPVTNOIYPGGJY-UHFFFAOYSA-N 0 1 236.315 2.071 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330359 343255965 /nfs/dbraw/zinc/25/59/65/343255965.db2.gz GXYLNAQHJQDEIQ-VIFPVBQESA-N 0 1 225.288 2.456 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000051770436 343259816 /nfs/dbraw/zinc/25/98/16/343259816.db2.gz AYGFBBCQGYXDJY-QMMMGPOBSA-N 0 1 235.262 2.465 20 0 BEADMN C[C@H](CNCc1csnn1)c1ccccc1 ZINC000036902068 343326964 /nfs/dbraw/zinc/32/69/64/343326964.db2.gz DESRAPRYSWUCRA-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN Fc1ccc2nc(-c3csnn3)[nH]c2c1 ZINC000069835949 343292357 /nfs/dbraw/zinc/29/23/57/343292357.db2.gz GQGXEHVLMQCJSQ-UHFFFAOYSA-N 0 1 220.232 2.221 20 0 BEADMN CC(C)n1cc(CN2CC[C@H](C3CC3)C2)nn1 ZINC000347861900 136293304 /nfs/dbraw/zinc/29/33/04/136293304.db2.gz VOCMJBSWOUWSIB-LBPRGKRZSA-N 0 1 234.347 2.091 20 0 BEADMN C[C@H](O)CN[C@H](c1ccco1)c1ccccc1 ZINC000035601697 343298799 /nfs/dbraw/zinc/29/87/99/343298799.db2.gz JUFSDXAMQOZBQX-FZMZJTMJSA-N 0 1 231.295 2.339 20 0 BEADMN C[C@@H](CO)NCc1c(Cl)cccc1Cl ZINC000035602593 343299246 /nfs/dbraw/zinc/29/92/46/343299246.db2.gz GXCMVNJJXCKUSI-ZETCQYMHSA-N 0 1 234.126 2.464 20 0 BEADMN C[C@@H](CO)N[C@@H](c1ccccc1)c1ccccn1 ZINC000035603379 343299803 /nfs/dbraw/zinc/29/98/03/343299803.db2.gz SLTZWDHBDMWPSA-WFASDCNBSA-N 0 1 242.322 2.141 20 0 BEADMN COc1cccc(CN2CC(C3CCC3)C2)n1 ZINC000348742839 136295396 /nfs/dbraw/zinc/29/53/96/136295396.db2.gz VZAJSVHHXWPRLF-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)c2ccccc2C)n[nH]1 ZINC000335631250 136300431 /nfs/dbraw/zinc/30/04/31/136300431.db2.gz NJFLVJAHGHWHCM-XLFHBGCDSA-N 0 1 249.339 2.290 20 0 BEADMN CC[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000078657357 343371617 /nfs/dbraw/zinc/37/16/17/343371617.db2.gz OXXBCVJQUVTLKY-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070634193 343336572 /nfs/dbraw/zinc/33/65/72/343336572.db2.gz IXDCJTAXNSIYJK-VXNVDRBHSA-N 0 1 214.334 2.137 20 0 BEADMN COC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070634191 343336621 /nfs/dbraw/zinc/33/66/21/343336621.db2.gz IXDCJTAXNSIYJK-IONNQARKSA-N 0 1 214.334 2.137 20 0 BEADMN CCn1ccnc1NCc1scnc1C ZINC000070837189 343338657 /nfs/dbraw/zinc/33/86/57/343338657.db2.gz MBIZBDJSWWIWEP-UHFFFAOYSA-N 0 1 222.317 2.280 20 0 BEADMN CCN(CC(=O)c1cccn1C)C1CCCC1 ZINC000037337540 343343424 /nfs/dbraw/zinc/34/34/24/343343424.db2.gz POWHFSKYTVALDG-UHFFFAOYSA-N 0 1 234.343 2.472 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C(C)C)C2)o1 ZINC000335674764 136317856 /nfs/dbraw/zinc/31/78/56/136317856.db2.gz PMHIQPLVYIYLKL-LLVKDONJSA-N 0 1 208.305 2.461 20 0 BEADMN CC(C)[C@H]1CCCN(Cc2nccn2C)C1 ZINC000335676344 136318647 /nfs/dbraw/zinc/31/86/47/136318647.db2.gz OQCGKJNTONYNQI-LBPRGKRZSA-N 0 1 221.348 2.288 20 0 BEADMN CCCCOCCN(C)[C@H](C)c1cnn(C)c1 ZINC000348928509 136309756 /nfs/dbraw/zinc/30/97/56/136309756.db2.gz RPAGXIVYQMUGOP-GFCCVEGCSA-N 0 1 239.363 2.230 20 0 BEADMN Cc1ccnc(CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000335667193 136311757 /nfs/dbraw/zinc/31/17/57/136311757.db2.gz HBKSOSUCMDHJAY-QWRGUYRKSA-N 0 1 219.332 2.263 20 0 BEADMN CCc1cc(C(=O)N2CCCCC[C@H]2C)n[nH]1 ZINC000335671260 136313381 /nfs/dbraw/zinc/31/33/81/136313381.db2.gz UTTASTZXUWEUPJ-SNVBAGLBSA-N 0 1 235.331 2.377 20 0 BEADMN c1nnsc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000335660905 136315059 /nfs/dbraw/zinc/31/50/59/136315059.db2.gz DRBVMACYONGGOH-ONGXEEELSA-N 0 1 223.345 2.303 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2cccc(C)c2)nn1 ZINC000641075783 362185079 /nfs/dbraw/zinc/18/50/79/362185079.db2.gz XKZJXAQKWZJNCX-RYUDHWBXSA-N 0 1 244.342 2.476 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H]2C)c1 ZINC000634692286 343393093 /nfs/dbraw/zinc/39/30/93/343393093.db2.gz XPSKYLFRSQYZAU-GXFFZTMASA-N 0 1 249.310 2.305 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H]2C)c1 ZINC000634692288 343393128 /nfs/dbraw/zinc/39/31/28/343393128.db2.gz XPSKYLFRSQYZAU-ZWNOBZJWSA-N 0 1 249.310 2.305 20 0 BEADMN CC(C)(C)[C@@H]1CN(CC2=CCCOC2)CCO1 ZINC000335698469 136327880 /nfs/dbraw/zinc/32/78/80/136327880.db2.gz QQMVHYKKKJIZKZ-ZDUSSCGKSA-N 0 1 239.359 2.080 20 0 BEADMN CCNC(=O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000349416461 136345179 /nfs/dbraw/zinc/34/51/79/136345179.db2.gz SNQVCIBDQDMYCP-UHFFFAOYSA-N 0 1 248.370 2.281 20 0 BEADMN Cc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000335726099 136346976 /nfs/dbraw/zinc/34/69/76/136346976.db2.gz FQLXURSXQGUCGE-UHFFFAOYSA-N 0 1 237.280 2.389 20 0 BEADMN CC[C@@]1(C)COCCN1Cc1cccn1C ZINC000335735184 136350453 /nfs/dbraw/zinc/35/04/53/136350453.db2.gz VKYAKKAODQJCDL-ZDUSSCGKSA-N 0 1 222.332 2.026 20 0 BEADMN C[C@H]1CC[C@]2(CCN(Cc3ccn(C)n3)C2)C1 ZINC000335737106 136350837 /nfs/dbraw/zinc/35/08/37/136350837.db2.gz SZZIGVNYCJRJPW-JSGCOSHPSA-N 0 1 233.359 2.432 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2C)c1C ZINC000335737981 136351058 /nfs/dbraw/zinc/35/10/58/136351058.db2.gz SENJCIVCTLEBAE-KWQFWETISA-N 0 1 235.331 2.193 20 0 BEADMN CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000335737731 136351061 /nfs/dbraw/zinc/35/10/61/136351061.db2.gz TUKSFNBGNRSJFW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CCC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000335737731 136351062 /nfs/dbraw/zinc/35/10/62/136351062.db2.gz TUKSFNBGNRSJFW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)n1cc(C[N@H+]2CCC[C@@H](C)CC2)nn1 ZINC000335739117 136351551 /nfs/dbraw/zinc/35/15/51/136351551.db2.gz LEBCUPINKYOJIG-GFCCVEGCSA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)n1cc(CN2CCC[C@@H](C)CC2)nn1 ZINC000335739117 136351552 /nfs/dbraw/zinc/35/15/52/136351552.db2.gz LEBCUPINKYOJIG-GFCCVEGCSA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)=CCN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000335683195 136329255 /nfs/dbraw/zinc/32/92/55/136329255.db2.gz TYKGXUJQBLNSDQ-ZIAGYGMSSA-N 0 1 239.359 2.223 20 0 BEADMN COC(=O)CCN(C)Cc1ccc(Cl)s1 ZINC000042207616 343431511 /nfs/dbraw/zinc/43/15/11/343431511.db2.gz ZVPJYBKPESKGAT-UHFFFAOYSA-N 0 1 247.747 2.396 20 0 BEADMN Cc1nocc1CN1CC(C2CCC2)C1 ZINC000335706999 136336267 /nfs/dbraw/zinc/33/62/67/136336267.db2.gz BHQCXMOELZOQAG-UHFFFAOYSA-N 0 1 206.289 2.215 20 0 BEADMN CCNCc1cn([C@H](C)c2ccccc2C)nn1 ZINC000641080494 362195964 /nfs/dbraw/zinc/19/59/64/362195964.db2.gz ULMVYXSUZCTAGJ-GFCCVEGCSA-N 0 1 244.342 2.305 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1[nH]nc2ccccc21 ZINC000335879097 136356346 /nfs/dbraw/zinc/35/63/46/136356346.db2.gz ZBIKFVSEYFGRPC-IUCAKERBSA-N 0 1 229.283 2.186 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1[nH]nc2ccccc21 ZINC000335879098 136356716 /nfs/dbraw/zinc/35/67/16/136356716.db2.gz ZBIKFVSEYFGRPC-RKDXNWHRSA-N 0 1 229.283 2.186 20 0 BEADMN COCCN(C)c1ccnc(C)c1Cl ZINC000350284492 136357332 /nfs/dbraw/zinc/35/73/32/136357332.db2.gz AMFXSVIZTAUUCB-UHFFFAOYSA-N 0 1 214.696 2.126 20 0 BEADMN CNC(C)(C)c1cn([C@H](C)CC(C)C)nn1 ZINC000641094352 362222248 /nfs/dbraw/zinc/22/22/48/362222248.db2.gz SFFNDXWXODYGFF-SNVBAGLBSA-N 0 1 224.352 2.340 20 0 BEADMN CCc1cnc(CN[C@H]2CSC[C@H]2C)o1 ZINC000379932141 365744070 /nfs/dbraw/zinc/74/40/70/365744070.db2.gz WGFDZFHRFXMZGX-SCZZXKLOSA-N 0 1 226.345 2.078 20 0 BEADMN Oc1cccc2c1CCC[C@H]2NCc1c[nH]cn1 ZINC000191659571 136363140 /nfs/dbraw/zinc/36/31/40/136363140.db2.gz GPUKWIOIMXUYBG-CYBMUJFWSA-N 0 1 243.310 2.283 20 0 BEADMN CCc1cnc(CN[C@@H]2CSC[C@@H]2C)o1 ZINC000379932146 365744488 /nfs/dbraw/zinc/74/44/88/365744488.db2.gz WGFDZFHRFXMZGX-WCBMZHEXSA-N 0 1 226.345 2.078 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H](O)C1 ZINC000351096011 136367551 /nfs/dbraw/zinc/36/75/51/136367551.db2.gz GBJQQYFPIACPMN-CKYFFXLPSA-N 0 1 246.310 2.201 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@@H](O)C1 ZINC000351096014 136367775 /nfs/dbraw/zinc/36/77/75/136367775.db2.gz GBJQQYFPIACPMN-SCVCMEIPSA-N 0 1 246.310 2.201 20 0 BEADMN Cc1nocc1CN1CC[C@H](OCC(C)C)C1 ZINC000351785147 136370317 /nfs/dbraw/zinc/37/03/17/136370317.db2.gz UXKMQWJXXGHDJD-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN CSC1CCN(Cc2ccno2)CC1 ZINC000602921392 349810985 /nfs/dbraw/zinc/81/09/85/349810985.db2.gz IYUHJNKMUUOUTP-UHFFFAOYSA-N 0 1 212.318 2.002 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC[C@@H](C)CC1 ZINC000577002386 365751708 /nfs/dbraw/zinc/75/17/08/365751708.db2.gz DSQKTXMDVSGAAK-MNOVXSKESA-N 0 1 234.347 2.072 20 0 BEADMN CCN(Cc1cnc(C2CC2)o1)[C@@H]1CCOC1 ZINC000628289736 346943155 /nfs/dbraw/zinc/94/31/55/346943155.db2.gz OZAGXKDBRSUZCT-LLVKDONJSA-N 0 1 236.315 2.163 20 0 BEADMN CCCN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000082784311 343466772 /nfs/dbraw/zinc/46/67/72/343466772.db2.gz BMVXBXQGFALJHQ-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN CN(CCCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000044536651 343506387 /nfs/dbraw/zinc/50/63/87/343506387.db2.gz VJINNFJEJUECHK-UHFFFAOYSA-N 0 1 243.310 2.115 20 0 BEADMN C[N@@H+](CC1CCCC1)CC1(CC(=O)[O-])CC1 ZINC000083854829 343507008 /nfs/dbraw/zinc/50/70/08/343507008.db2.gz NIHMCNCQETZATH-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1nccn1C ZINC000624222954 343510927 /nfs/dbraw/zinc/51/09/27/343510927.db2.gz KNDIABFESQOTSF-RWMBFGLXSA-N 0 1 249.358 2.028 20 0 BEADMN CC(C)CN(C)C(=O)c1[nH]nc2ccccc21 ZINC000045471105 343530087 /nfs/dbraw/zinc/53/00/87/343530087.db2.gz DHUBZDZUSFRSFG-UHFFFAOYSA-N 0 1 231.299 2.291 20 0 BEADMN C[C@@H]1CCCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000083854644 343504425 /nfs/dbraw/zinc/50/44/25/343504425.db2.gz GBTWAMFJESZSSX-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CCC[C@H](C(=O)N(C)CC1CN(C)C1)C(C)C ZINC000618191623 343573426 /nfs/dbraw/zinc/57/34/26/343573426.db2.gz LWCWCTGCPKWNLT-ZDUSSCGKSA-N 0 1 240.391 2.079 20 0 BEADMN CC[C@@H]1CC[C@@H]1NCc1nnc(C)s1 ZINC000379580888 343577294 /nfs/dbraw/zinc/57/72/94/343577294.db2.gz ZZLZCEQCNOMLNU-BDAKNGLRSA-N 0 1 211.334 2.125 20 0 BEADMN CC[C@@H]1CC[C@H]1NCc1nnc(C)s1 ZINC000379580891 343577407 /nfs/dbraw/zinc/57/74/07/343577407.db2.gz ZZLZCEQCNOMLNU-RKDXNWHRSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1nnsc1CN1CCC(C)CC1 ZINC000570156297 323051174 /nfs/dbraw/zinc/05/11/74/323051174.db2.gz WTLJFEBKGYDJIO-UHFFFAOYSA-N 0 1 211.334 2.078 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000616729256 343555484 /nfs/dbraw/zinc/55/54/84/343555484.db2.gz ASBSLQSLTRBYQV-GWCFXTLKSA-N 0 1 247.342 2.377 20 0 BEADMN CN(CC1CC1)C(=O)c1[nH]nc2ccccc21 ZINC000047919855 343568249 /nfs/dbraw/zinc/56/82/49/343568249.db2.gz PEEBQQSHCJZMEG-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN CC(C)C[C@H](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618193917 343603204 /nfs/dbraw/zinc/60/32/04/343603204.db2.gz JDXGRBDLNUQWCS-LBPRGKRZSA-N 0 1 240.391 2.079 20 0 BEADMN C[N@@H+](CCO)Cc1ccc(C(C)(C)C)cc1 ZINC000049633630 343604822 /nfs/dbraw/zinc/60/48/22/343604822.db2.gz QHBNMLDLZCKHQR-UHFFFAOYSA-N 0 1 221.344 2.408 20 0 BEADMN CCC(CC)CN(CC)C(=O)c1ccn[nH]1 ZINC000049758937 343605621 /nfs/dbraw/zinc/60/56/21/343605621.db2.gz OESWUYLREPJTKX-UHFFFAOYSA-N 0 1 223.320 2.308 20 0 BEADMN CCCCC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696887 343634810 /nfs/dbraw/zinc/63/48/10/343634810.db2.gz RHUWKYZOVYCXBQ-UHFFFAOYSA-N 0 1 211.305 2.258 20 0 BEADMN CC(C)CC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634697282 343644016 /nfs/dbraw/zinc/64/40/16/343644016.db2.gz FNCAQESLJZGCBT-UHFFFAOYSA-N 0 1 211.305 2.114 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)CN(C)C1CC1 ZINC000047914972 343644323 /nfs/dbraw/zinc/64/43/23/343644323.db2.gz GPISSBDLNNQUEP-LBPRGKRZSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697178 343644410 /nfs/dbraw/zinc/64/44/10/343644410.db2.gz BWSXCQMKXXJCSE-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000620081514 343645121 /nfs/dbraw/zinc/64/51/21/343645121.db2.gz FQGOTRICYOPTOW-AWEZNQCLSA-N 0 1 247.342 2.207 20 0 BEADMN Cc1cncc([C@H](C)NCc2ccc[nH]c2=O)c1 ZINC000624259466 343627502 /nfs/dbraw/zinc/62/75/02/343627502.db2.gz MMOAIHRMRZJBHU-NSHDSACASA-N 0 1 243.310 2.341 20 0 BEADMN CC(C)=CCC[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696020 343629672 /nfs/dbraw/zinc/62/96/72/343629672.db2.gz GIDGSYIIMPKFOG-UHFFFAOYSA-N 0 1 223.316 2.424 20 0 BEADMN C[C@@H]1CCC[C@H](CCN2CCn3nncc3C2)C1 ZINC000580580245 365790910 /nfs/dbraw/zinc/79/09/10/365790910.db2.gz DUVYQVQRMIRPPP-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCCC(C)(C)C1 ZINC000602949703 349819804 /nfs/dbraw/zinc/81/98/04/349819804.db2.gz AFCKTLYFLJOPBZ-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CN[C@@H](C)c2nccs2)n[nH]1 ZINC000380265200 343712108 /nfs/dbraw/zinc/71/21/08/343712108.db2.gz TUDCUWNJFKSGNU-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)n[nH]1 ZINC000620215824 343723579 /nfs/dbraw/zinc/72/35/79/343723579.db2.gz YTUCZUGSHGUURL-LBPRGKRZSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@]1(C)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000584165106 343767697 /nfs/dbraw/zinc/76/76/97/343767697.db2.gz QHRXCZMBGDHLHA-CYBMUJFWSA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000584165106 343767699 /nfs/dbraw/zinc/76/76/99/343767699.db2.gz QHRXCZMBGDHLHA-CYBMUJFWSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@]12C[N@@H+](CC3(C(=O)[O-])CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000584183915 343771056 /nfs/dbraw/zinc/77/10/56/343771056.db2.gz BVRJHGYXAOMPHM-GFQSEFKGSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1ccc(CN2CCN(C3CC3)CC2)s1 ZINC000127899265 343753758 /nfs/dbraw/zinc/75/37/58/343753758.db2.gz IXWIAUIFLPZTHT-UHFFFAOYSA-N 0 1 236.384 2.337 20 0 BEADMN CC[N@@H+](CCCCOC(C)(C)C)CCC(=O)[O-] ZINC000584118675 343761036 /nfs/dbraw/zinc/76/10/36/343761036.db2.gz GPBVVYTWLDRCAV-UHFFFAOYSA-N 0 1 245.363 2.378 20 0 BEADMN C[C@H](N(C)Cc1cnns1)C(C)(C)C ZINC000584153595 343766267 /nfs/dbraw/zinc/76/62/67/343766267.db2.gz XDNQUHLTLIWIRL-QMMMGPOBSA-N 0 1 213.350 2.405 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cccc(F)c1F ZINC000313060543 343783833 /nfs/dbraw/zinc/78/38/33/343783833.db2.gz HDAOTLBPGAGTMW-NSHDSACASA-N 0 1 241.281 2.479 20 0 BEADMN CC1(C)COC[C@H]1NCc1ccncc1Cl ZINC000313068705 343828524 /nfs/dbraw/zinc/82/85/24/343828524.db2.gz RGUOCIYYCYVITF-LLVKDONJSA-N 0 1 240.734 2.250 20 0 BEADMN CC1(C)COC[C@H]1NCc1ccc(Cl)o1 ZINC000313070274 343831561 /nfs/dbraw/zinc/83/15/61/343831561.db2.gz UOVYZQJCHFQKBM-SECBINFHSA-N 0 1 229.707 2.448 20 0 BEADMN CC[C@@H]1C[C@@H](CNCC(C)(F)F)CCO1 ZINC000393495757 343882728 /nfs/dbraw/zinc/88/27/28/343882728.db2.gz VXRGXYSSCBZYPX-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H](C)[C@H]1C ZINC000625473353 343873235 /nfs/dbraw/zinc/87/32/35/343873235.db2.gz UHHBQZWWBJUQBI-WOPDTQHZSA-N 0 1 240.391 2.125 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cc(F)ccc1F ZINC000313125751 343889517 /nfs/dbraw/zinc/88/95/17/343889517.db2.gz UXLHCTJDDJGSHM-LBPRGKRZSA-N 0 1 241.281 2.479 20 0 BEADMN CC1(C)COC[C@@H]1NCc1ccc(F)cc1F ZINC000313128517 343892759 /nfs/dbraw/zinc/89/27/59/343892759.db2.gz WSZINIMRTNLZTH-LBPRGKRZSA-N 0 1 241.281 2.479 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCCCC(C)(C)C ZINC000126380180 343894743 /nfs/dbraw/zinc/89/47/43/343894743.db2.gz BZAMBYCJRMYSCG-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN COCc1nc(CN[C@@H]2CC2(C)C)cs1 ZINC000393631002 343903459 /nfs/dbraw/zinc/90/34/59/343903459.db2.gz OBYSACKGBUARKA-SECBINFHSA-N 0 1 226.345 2.178 20 0 BEADMN Cc1noc(C[C@H](NCCF)c2ccccc2)n1 ZINC000429552435 192368122 /nfs/dbraw/zinc/36/81/22/192368122.db2.gz KBWYGSZOTNVDIV-LBPRGKRZSA-N 0 1 249.289 2.221 20 0 BEADMN CC(C)[C@H](O)CCN[C@@H](C)c1nccs1 ZINC000091728180 343951500 /nfs/dbraw/zinc/95/15/00/343951500.db2.gz ASKBJBUOZHBAMQ-VHSXEESVSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1nc(CN2CCC[C@@H](C)C2)[nH]c1C ZINC000628118699 343969173 /nfs/dbraw/zinc/96/91/73/343969173.db2.gz FZJMIEMOFJMEFG-SECBINFHSA-N 0 1 207.321 2.258 20 0 BEADMN Cc1nc(CN2CCCCCC2)[nH]c1C ZINC000628118848 343969427 /nfs/dbraw/zinc/96/94/27/343969427.db2.gz NMGWNQLFOGNJTJ-UHFFFAOYSA-N 0 1 207.321 2.403 20 0 BEADMN C[C@@H]1CCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000641244846 362309016 /nfs/dbraw/zinc/30/90/16/362309016.db2.gz KAODWHFLLGEVCO-SNVBAGLBSA-N 0 1 241.294 2.311 20 0 BEADMN CC[C@@H](CN1Cc2ccc(O)cc2C1)OC ZINC000625728312 344060071 /nfs/dbraw/zinc/06/00/71/344060071.db2.gz HQSPVXKVCCYOMU-ZDUSSCGKSA-N 0 1 221.300 2.133 20 0 BEADMN CCCNC(=O)[C@H](C)N1CCCC(F)(F)CC1 ZINC000625766959 344068372 /nfs/dbraw/zinc/06/83/72/344068372.db2.gz CKHCOVRMVJDGEG-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000570693283 323067476 /nfs/dbraw/zinc/06/74/76/323067476.db2.gz BKRNPYGVRXIFSU-GARJFASQSA-N 0 1 237.347 2.139 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)[nH]1 ZINC000335906289 344084294 /nfs/dbraw/zinc/08/42/94/344084294.db2.gz NWIIMVCJVBSLSP-YGRLFVJLSA-N 0 1 247.342 2.370 20 0 BEADMN CCc1nc(CNCC(C)(C)CCO)cs1 ZINC000080535988 344130370 /nfs/dbraw/zinc/13/03/70/344130370.db2.gz MFBYNTLYKMSJOG-UHFFFAOYSA-N 0 1 242.388 2.204 20 0 BEADMN CC[C@@H](O)CN[C@](C)(CC)c1nccs1 ZINC000130549304 344223378 /nfs/dbraw/zinc/22/33/78/344223378.db2.gz AAAJZZBRUJTNHR-MWLCHTKSSA-N 0 1 228.361 2.129 20 0 BEADMN c1ccc2c(c1)CCC[C@H]2N1CCOCC1 ZINC000060755346 344240238 /nfs/dbraw/zinc/24/02/38/344240238.db2.gz TZGNSTPPYJJTMW-CQSZACIVSA-N 0 1 217.312 2.396 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccncc2Cl)[C@H](C)O1 ZINC000384869177 344192143 /nfs/dbraw/zinc/19/21/43/344192143.db2.gz IFEFNDROZMNEBB-VDDIYKPWSA-N 0 1 240.734 2.391 20 0 BEADMN Cc1oc(C[N@H+](C)C2CCC2)cc1C(=O)[O-] ZINC000127588209 344200365 /nfs/dbraw/zinc/20/03/65/344200365.db2.gz GJJBHOAVGKSZRV-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN CCC[C@H](CCO)Nc1ccnc(C)c1Cl ZINC000631427638 344271983 /nfs/dbraw/zinc/27/19/83/344271983.db2.gz OSOLYKVNEGAUSE-SNVBAGLBSA-N 0 1 242.750 2.428 20 0 BEADMN CC1=C[C@@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000621989260 370646634 /nfs/dbraw/zinc/64/66/34/370646634.db2.gz ANMJUMODXNLHBU-SNVBAGLBSA-N 0 1 247.342 2.112 20 0 BEADMN CCN1CCN([C@H](C)c2ncc(C)o2)C[C@@H]1C ZINC000678465314 488257870 /nfs/dbraw/zinc/25/78/70/488257870.db2.gz ZGLWIASBHOUTEE-CMPLNLGQSA-N 0 1 237.347 2.070 20 0 BEADMN CCN(Cc1scnc1C)C[C@@H]1CCCO1 ZINC000092407777 344295296 /nfs/dbraw/zinc/29/52/96/344295296.db2.gz PSSTXIKJCHMQEY-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN C[C@@H]1CCC[C@H](CNCc2csnn2)C1 ZINC000132603145 344305284 /nfs/dbraw/zinc/30/52/84/344305284.db2.gz QJFTUEBMHOQWMP-ZJUUUORDSA-N 0 1 225.361 2.454 20 0 BEADMN CC(C)c1noc(CN[C@@H]2CCC[C@H]2C)n1 ZINC000381257677 344307454 /nfs/dbraw/zinc/30/74/54/344307454.db2.gz RCLODSWYUPPPET-NXEZZACHSA-N 0 1 223.320 2.471 20 0 BEADMN CCC[C@](C)([NH2+]Cc1nc(C)cs1)C(=O)[O-] ZINC000041812509 344441011 /nfs/dbraw/zinc/44/10/11/344441011.db2.gz ZLGLXOBHVFXIQD-NSHDSACASA-N 0 1 242.344 2.185 20 0 BEADMN CC[C@@H](O)CN(C)Cc1ccccc1F ZINC000042436835 344452874 /nfs/dbraw/zinc/45/28/74/344452874.db2.gz AVJOIILXDQFLRH-LLVKDONJSA-N 0 1 211.280 2.028 20 0 BEADMN CC[C@H](O)CN(C)Cc1ccccc1F ZINC000042436834 344453226 /nfs/dbraw/zinc/45/32/26/344453226.db2.gz AVJOIILXDQFLRH-NSHDSACASA-N 0 1 211.280 2.028 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cccs1 ZINC000042487906 344456607 /nfs/dbraw/zinc/45/66/07/344456607.db2.gz KLNLHBONFAHNLV-JTQLQIEISA-N 0 1 227.329 2.433 20 0 BEADMN CCc1nc(C[N@H+](C)CCCC(=O)[O-])cs1 ZINC000042716568 344465719 /nfs/dbraw/zinc/46/57/19/344465719.db2.gz SRHUOQGRTAZIGL-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CCc1nc(C[N@@H+](C)CCCC(=O)[O-])cs1 ZINC000042716568 344465723 /nfs/dbraw/zinc/46/57/23/344465723.db2.gz SRHUOQGRTAZIGL-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CC1(C)C[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000381224188 344487610 /nfs/dbraw/zinc/48/76/10/344487610.db2.gz JJRRUDSQRZWJEP-GFCCVEGCSA-N 0 1 215.300 2.451 20 0 BEADMN CCc1nc(CNCC2(CC)COC2)cs1 ZINC000309986449 344489859 /nfs/dbraw/zinc/48/98/59/344489859.db2.gz YMMAAEZKEFHEJN-UHFFFAOYSA-N 0 1 240.372 2.222 20 0 BEADMN N#Cc1csc(CN[C@@H]2CCC(F)(F)C2)n1 ZINC000381576557 344521925 /nfs/dbraw/zinc/52/19/25/344521925.db2.gz CLRKUIZWCNUUHG-SSDOTTSWSA-N 0 1 243.282 2.292 20 0 BEADMN c1cc2c(cn1)CCN2c1cc(C2CC2)ncn1 ZINC000641418328 362405230 /nfs/dbraw/zinc/40/52/30/362405230.db2.gz LZGBYVYIQKNFRP-UHFFFAOYSA-N 0 1 238.294 2.443 20 0 BEADMN C[C@@H](NCc1cccs1)c1cnn(C)c1 ZINC000044495281 344542503 /nfs/dbraw/zinc/54/25/03/344542503.db2.gz DULJZFCVXOQKKQ-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CCOC[C@@H]1CN(CCC=C(C)C)CCO1 ZINC000625953605 344593997 /nfs/dbraw/zinc/59/39/97/344593997.db2.gz JWCDOHZXWXNXIK-ZDUSSCGKSA-N 0 1 227.348 2.080 20 0 BEADMN CCN1C[C@H](C)N(c2ccncc2F)C[C@@H]1C ZINC000641471060 362438945 /nfs/dbraw/zinc/43/89/45/362438945.db2.gz USXUOMPQHPLUPR-QWRGUYRKSA-N 0 1 237.322 2.140 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)N[C@H](C)C(F)F ZINC001638788662 1172044942 /nfs/dbraw/zinc/04/49/42/1172044942.db2.gz CHCJRKTYRAAORR-ZJUUUORDSA-N 0 1 248.317 2.021 20 0 BEADMN CCCC[C@@H](CCC)CNC(=O)c1ncn[nH]1 ZINC000358585162 344653884 /nfs/dbraw/zinc/65/38/84/344653884.db2.gz IQTHIJDVEUXYPG-SNVBAGLBSA-N 0 1 238.335 2.141 20 0 BEADMN CCCC[C@@H](CCC)CNC(=O)c1nc[nH]n1 ZINC000358585162 344653885 /nfs/dbraw/zinc/65/38/85/344653885.db2.gz IQTHIJDVEUXYPG-SNVBAGLBSA-N 0 1 238.335 2.141 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCc3c(O)cccc3C2)O1 ZINC000626028208 344680542 /nfs/dbraw/zinc/68/05/42/344680542.db2.gz BFXIICVXFCACKK-YPMHNXCESA-N 0 1 247.338 2.318 20 0 BEADMN CC(C)OCCN1CCc2c(O)cccc2C1 ZINC000626024919 344676664 /nfs/dbraw/zinc/67/66/64/344676664.db2.gz ABZJTLHGIKIHNQ-UHFFFAOYSA-N 0 1 235.327 2.175 20 0 BEADMN COCCCCN1Cc2cccc(OC)c2C1 ZINC000626021527 344677125 /nfs/dbraw/zinc/67/71/25/344677125.db2.gz FFDZSXFDRNKKBL-UHFFFAOYSA-N 0 1 235.327 2.437 20 0 BEADMN COc1cccc2c1CN(C[C@H](O)C(C)C)C2 ZINC000626022952 344678375 /nfs/dbraw/zinc/67/83/75/344678375.db2.gz PYCRHBUVTRRJRB-ZDUSSCGKSA-N 0 1 235.327 2.028 20 0 BEADMN COc1cccc2c1CN(C[C@@H](OC)C1CC1)C2 ZINC000626023443 344678600 /nfs/dbraw/zinc/67/86/00/344678600.db2.gz HMCARYRHJOCGKR-OAHLLOKOSA-N 0 1 247.338 2.436 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000625970778 344630232 /nfs/dbraw/zinc/63/02/32/344630232.db2.gz ZUVVHUZHHRMPGG-WOPDTQHZSA-N 0 1 239.359 2.465 20 0 BEADMN CCc1cnc(CN[C@H]2CCCC[C@H]2O)s1 ZINC000348151705 344640885 /nfs/dbraw/zinc/64/08/85/344640885.db2.gz OBNBBNDPEGWUNE-WDEREUQCSA-N 0 1 240.372 2.099 20 0 BEADMN CCc1cnc(CN[C@H]2CCCC[C@@H]2O)s1 ZINC000348151704 344640894 /nfs/dbraw/zinc/64/08/94/344640894.db2.gz OBNBBNDPEGWUNE-QWRGUYRKSA-N 0 1 240.372 2.099 20 0 BEADMN C[C@H]1CC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000518782993 259378735 /nfs/dbraw/zinc/37/87/35/259378735.db2.gz UZGTZGBPWGETCL-NSHDSACASA-N 0 1 233.311 2.269 20 0 BEADMN CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152949757 344726600 /nfs/dbraw/zinc/72/66/00/344726600.db2.gz FZHCHCPMIWIAGN-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@]32C)nn1C ZINC000626103230 344740182 /nfs/dbraw/zinc/74/01/82/344740182.db2.gz QPFZTVQQTJJPTE-JSGCOSHPSA-N 0 1 233.359 2.493 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000117264380 344742960 /nfs/dbraw/zinc/74/29/60/344742960.db2.gz STHDAIDEQFHORG-LLVKDONJSA-N 0 1 235.331 2.370 20 0 BEADMN CC1(C)CC(NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000620740872 344688969 /nfs/dbraw/zinc/68/89/69/344688969.db2.gz KYSFJWFAIPQSKX-SNVBAGLBSA-N 0 1 247.342 2.134 20 0 BEADMN CCCCN(CC(=O)OC)[C@H](C)CC ZINC000049800955 344689154 /nfs/dbraw/zinc/68/91/54/344689154.db2.gz WVBLOPOBGUTHFG-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000082321224 344750273 /nfs/dbraw/zinc/75/02/73/344750273.db2.gz POSQNTSKAITHEH-CYBMUJFWSA-N 0 1 232.327 2.418 20 0 BEADMN CN1CCN(C(=O)/C=C/C(C)(C)C)CC1(C)C ZINC000493550276 530065954 /nfs/dbraw/zinc/06/59/54/530065954.db2.gz HTFMFLCGCYPGAR-BQYQJAHWSA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)N(Cc1ccncc1Cl)C[C@H](C)O ZINC000075718336 344777813 /nfs/dbraw/zinc/77/78/13/344777813.db2.gz VINHGODQINBIJJ-JTQLQIEISA-N 0 1 242.750 2.326 20 0 BEADMN C[C@H](NCc1cnn(C)c1)c1ccsc1 ZINC000050344530 344783264 /nfs/dbraw/zinc/78/32/64/344783264.db2.gz YBJNOOJHDQWQQO-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN CC(C)Cc1noc(CN2C[C@H](C)[C@H](C)C2)n1 ZINC000076114199 344796797 /nfs/dbraw/zinc/79/67/97/344796797.db2.gz GNWJDEPCLNABEG-PHIMTYICSA-N 0 1 237.347 2.356 20 0 BEADMN C[C@@H]1CCCN1Cc1nc(-c2ccccn2)no1 ZINC000076117455 344797129 /nfs/dbraw/zinc/79/71/29/344797129.db2.gz HIWSNKMHJWKGAP-SNVBAGLBSA-N 0 1 244.298 2.116 20 0 BEADMN c1csc(CCCNCc2cscn2)n1 ZINC000076892721 344807636 /nfs/dbraw/zinc/80/76/36/344807636.db2.gz QWTQVONSOBSINN-UHFFFAOYSA-N 0 1 239.369 2.322 20 0 BEADMN Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCCO2)on1 ZINC000076712458 344808590 /nfs/dbraw/zinc/80/85/90/344808590.db2.gz RIOILFWIUWUDJT-NWDGAFQWSA-N 0 1 236.315 2.299 20 0 BEADMN CCN(Cc1cccs1)C(=O)c1cc(C)[nH]n1 ZINC000077308970 344816002 /nfs/dbraw/zinc/81/60/02/344816002.db2.gz TYHXYQWXHNDNOQ-UHFFFAOYSA-N 0 1 249.339 2.442 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000119705051 344860333 /nfs/dbraw/zinc/86/03/33/344860333.db2.gz SODFCSGQMHPLEK-DGCLKSJQSA-N 0 1 249.358 2.346 20 0 BEADMN CCN(Cc1ccccn1)C[C@@H]1CCCCO1 ZINC000119821793 344866159 /nfs/dbraw/zinc/86/61/59/344866159.db2.gz BRXDDEXPFMTAKO-AWEZNQCLSA-N 0 1 234.343 2.473 20 0 BEADMN CCN(Cc1cc(C(C)=O)no1)CC(C)C ZINC000583389621 344875083 /nfs/dbraw/zinc/87/50/83/344875083.db2.gz RZQAZJWOVNDURT-UHFFFAOYSA-N 0 1 224.304 2.355 20 0 BEADMN CCC[N@H+](CC(N)=O)C[C@H]1CCCC[C@@H]1CC ZINC000628292692 347084575 /nfs/dbraw/zinc/08/45/75/347084575.db2.gz PSQKTIXAPRDISN-QWHCGFSZSA-N 0 1 240.391 2.400 20 0 BEADMN COC1CCC(NCc2ncc(C)o2)CC1 ZINC000234579925 537869022 /nfs/dbraw/zinc/86/90/22/537869022.db2.gz DIOJNJNZEBNQRC-UHFFFAOYSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1c[nH]c(CN2CCc3ccccc3CC2)n1 ZINC000628174693 344896378 /nfs/dbraw/zinc/89/63/78/344896378.db2.gz SVMOOVMFMRLHST-UHFFFAOYSA-N 0 1 241.338 2.319 20 0 BEADMN Cc1nc(CN2CC[C@@H](C3CC3)C2)[nH]c1C ZINC000628186165 344936542 /nfs/dbraw/zinc/93/65/42/344936542.db2.gz AMHIAAQXLUSOPL-GFCCVEGCSA-N 0 1 219.332 2.258 20 0 BEADMN CC[C@@]1(C)CCN(Cc2nc(C)c[nH]2)C1 ZINC000628186666 344936598 /nfs/dbraw/zinc/93/65/98/344936598.db2.gz SFGNKGLOQUMYRS-LBPRGKRZSA-N 0 1 207.321 2.340 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN(C)Cc1nnc[nH]1 ZINC000628179657 344915570 /nfs/dbraw/zinc/91/55/70/344915570.db2.gz JPZRSERYJYDDEP-NEPJUHHUSA-N 0 1 236.363 2.453 20 0 BEADMN CCCCN(CC(F)(F)F)C(=O)c1ccn[nH]1 ZINC000078887432 344918131 /nfs/dbraw/zinc/91/81/31/344918131.db2.gz HDXNCWSKAPQLCM-UHFFFAOYSA-N 0 1 249.236 2.214 20 0 BEADMN Cc1nc(CN2CCC[C@H]3COCC[C@H]32)[nH]c1C ZINC000628189994 344942378 /nfs/dbraw/zinc/94/23/78/344942378.db2.gz SISYUFCSOOVPTI-QWHCGFSZSA-N 0 1 249.358 2.027 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@@H]2C)[nH]c1C ZINC000628189662 344942387 /nfs/dbraw/zinc/94/23/87/344942387.db2.gz IXKQLSBVZFYAET-KCJUWKMLSA-N 0 1 207.321 2.257 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(C)c(C)[nH]2)C1 ZINC000628190199 344942861 /nfs/dbraw/zinc/94/28/61/344942861.db2.gz YQSTULKUTJOPNN-LLVKDONJSA-N 0 1 207.321 2.258 20 0 BEADMN CCc1nnc([C@@H](C)N[C@H]2CCC2(C)C)o1 ZINC000309669768 323082631 /nfs/dbraw/zinc/08/26/31/323082631.db2.gz VOEZSWQOCNQNOO-BDAKNGLRSA-N 0 1 223.320 2.471 20 0 BEADMN CC(C)c1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000146061762 345045615 /nfs/dbraw/zinc/04/56/15/345045615.db2.gz XYWPBZYMCVDRQS-AWEZNQCLSA-N 0 1 246.354 2.260 20 0 BEADMN CCOC[C@@H](C)NCc1noc2ccccc12 ZINC000566473519 345050375 /nfs/dbraw/zinc/05/03/75/345050375.db2.gz CEQRRXKBPFCQDH-SNVBAGLBSA-N 0 1 234.299 2.342 20 0 BEADMN Cc1csc(CN2CC[C@@]3(CCOC3)C2)n1 ZINC000154412129 345034141 /nfs/dbraw/zinc/03/41/41/345034141.db2.gz JXKANGALMCXBIH-GFCCVEGCSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1ccc(Br)c2nc(N)[nH]c21 ZINC000238533367 345071314 /nfs/dbraw/zinc/07/13/14/345071314.db2.gz SVJQGEMZODWDBJ-UHFFFAOYSA-N 0 1 226.077 2.216 20 0 BEADMN CC[C@@H]1CN(CC2(C)CC2)C[C@H](C)[S@]1=O ZINC000569625989 345072084 /nfs/dbraw/zinc/07/20/84/345072084.db2.gz YNEUYKLKMOOCPT-FIXISWKDSA-N 0 1 229.389 2.018 20 0 BEADMN CCC[C@H]1C[C@@H]1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000079996014 345074164 /nfs/dbraw/zinc/07/41/64/345074164.db2.gz LHARPJXPTRJVFI-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN COc1ccc(CCCNCc2ccon2)cc1 ZINC000634955083 345126570 /nfs/dbraw/zinc/12/65/70/345126570.db2.gz XOBNIVALMABKKG-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN Fc1ccc(F)c(CCNCc2ccon2)c1 ZINC000634966399 345139072 /nfs/dbraw/zinc/13/90/72/345139072.db2.gz LWRKVWABVLGNIR-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN FC1(F)CCC[C@H](NCc2ccon2)C1 ZINC000634969070 345146122 /nfs/dbraw/zinc/14/61/22/345146122.db2.gz DTHQBKSCUTWSTK-QMMMGPOBSA-N 0 1 216.231 2.342 20 0 BEADMN Cc1noc(C)c1[C@H](C)CNCc1ccon1 ZINC000634972731 345147951 /nfs/dbraw/zinc/14/79/51/345147951.db2.gz FSUNQXGQPBGNOZ-MRVPVSSYSA-N 0 1 235.287 2.173 20 0 BEADMN c1cc(CNCCC[C@H]2CCCCO2)no1 ZINC000634975619 345150926 /nfs/dbraw/zinc/15/09/26/345150926.db2.gz CLGYBYXLEVOKJM-GFCCVEGCSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@H](CNCc1ccon1)c1nccs1 ZINC000634975921 345152662 /nfs/dbraw/zinc/15/26/62/345152662.db2.gz JXCXOJOLVHZBQL-QMMMGPOBSA-N 0 1 223.301 2.024 20 0 BEADMN O=C(NC1CCCC1)[C@H]1CCN1C1CCCC1 ZINC000635072429 345238614 /nfs/dbraw/zinc/23/86/14/345238614.db2.gz SUBQPAGKQOHDRA-CYBMUJFWSA-N 0 1 236.359 2.062 20 0 BEADMN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(C)C ZINC000635070201 345239399 /nfs/dbraw/zinc/23/93/99/345239399.db2.gz GGHJCKORAJQYQZ-CHWSQXEVSA-N 0 1 248.370 2.074 20 0 BEADMN Cc1ccc(NC(=O)[C@@H](C)N(C)C)cc1F ZINC000635088841 345244071 /nfs/dbraw/zinc/24/40/71/345244071.db2.gz NIRORHOGPXQEQA-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN Cc1cc(C)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)n1 ZINC000635014713 345218866 /nfs/dbraw/zinc/21/88/66/345218866.db2.gz DXAXTZDBNBKYEY-CYBMUJFWSA-N 0 1 248.326 2.056 20 0 BEADMN CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H](C)C(=O)[O-] ZINC000635018929 345221971 /nfs/dbraw/zinc/22/19/71/345221971.db2.gz RNUXYTAKUVFZKS-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCC1 ZINC000635346999 345313932 /nfs/dbraw/zinc/31/39/32/345313932.db2.gz ZMJARHVYCNAZDX-VXGBXAGGSA-N 0 1 247.342 2.304 20 0 BEADMN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)C ZINC000635150840 345260471 /nfs/dbraw/zinc/26/04/71/345260471.db2.gz SPGINPCWKIKCTN-NWDGAFQWSA-N 0 1 246.354 2.304 20 0 BEADMN C[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C)C ZINC000635201195 345270323 /nfs/dbraw/zinc/27/03/23/345270323.db2.gz OOMXBUGVTXCTKB-SNVBAGLBSA-N 0 1 228.380 2.268 20 0 BEADMN CCC(O)(CC)C[N@@H+](C)Cc1cncc(C)c1 ZINC000626111545 345272515 /nfs/dbraw/zinc/27/25/15/345272515.db2.gz QQFSCCXMWGXNNC-UHFFFAOYSA-N 0 1 236.359 2.373 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)c1ccccc1C ZINC000635356793 345321655 /nfs/dbraw/zinc/32/16/55/345321655.db2.gz ZATAIWMWJSBMBY-GFCCVEGCSA-N 0 1 234.343 2.298 20 0 BEADMN C[C@@H](N(C)C(=O)[C@@H]1CCCCN1C)C(C)(C)C ZINC000635224577 345277720 /nfs/dbraw/zinc/27/77/20/345277720.db2.gz LHDUHIBJGOGGKK-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1nc(CSc2ccncc2)n[nH]1 ZINC000130963335 345290062 /nfs/dbraw/zinc/29/00/62/345290062.db2.gz XNFBJVUWBHGVOC-UHFFFAOYSA-N 0 1 220.301 2.054 20 0 BEADMN C[C@H](C(=O)NCCCC1CCCCC1)N(C)C ZINC000635277556 345293813 /nfs/dbraw/zinc/29/38/13/345293813.db2.gz GHWKHGWFYKWEIF-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCc1nnc(CN2CCCC3(CC3)CC2)o1 ZINC000626113452 345303234 /nfs/dbraw/zinc/30/32/34/345303234.db2.gz TVZUFQZHWPAWQI-UHFFFAOYSA-N 0 1 235.331 2.398 20 0 BEADMN CCCCCN(C(=O)[C@@H](C)N(C)C)C(C)C ZINC000635397220 345345599 /nfs/dbraw/zinc/34/55/99/345345599.db2.gz IZTHBRFNBGMRNV-GFCCVEGCSA-N 0 1 228.380 2.364 20 0 BEADMN CCc1nc(CN2CCC[C@@](C)(CC)C2)n[nH]1 ZINC000158741185 345372413 /nfs/dbraw/zinc/37/24/13/345372413.db2.gz AKCAWZDIXPOGRX-CYBMUJFWSA-N 0 1 236.363 2.379 20 0 BEADMN CC(C)CN(C(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000635448776 345375687 /nfs/dbraw/zinc/37/56/87/345375687.db2.gz XGVVTVZGULZLAV-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000158875319 345383763 /nfs/dbraw/zinc/38/37/63/345383763.db2.gz OAUWRXRTTQQLAV-RWMBFGLXSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)Nc1cccc2[nH]ccc21)N(C)C ZINC000635471750 345386686 /nfs/dbraw/zinc/38/66/86/345386686.db2.gz NNSQDJFUUJQRET-SECBINFHSA-N 0 1 231.299 2.057 20 0 BEADMN c1nc2c(ncnc2NC[C@@H]2CCCCS2)[nH]1 ZINC000158385101 345327774 /nfs/dbraw/zinc/32/77/74/345327774.db2.gz WLQLFQSDIYBPCZ-QMMMGPOBSA-N 0 1 249.343 2.051 20 0 BEADMN c1nc2c(ncnc2NC[C@H]2CCCCS2)[nH]1 ZINC000158385240 345327793 /nfs/dbraw/zinc/32/77/93/345327793.db2.gz WLQLFQSDIYBPCZ-MRVPVSSYSA-N 0 1 249.343 2.051 20 0 BEADMN c1nnsc1CN1CCCC2(CC2)CC1 ZINC000626115582 345334956 /nfs/dbraw/zinc/33/49/56/345334956.db2.gz YIFVOQUQSDAJLA-UHFFFAOYSA-N 0 1 223.345 2.304 20 0 BEADMN CCn1ncnc1CN1CCCC2(CC2)CC1 ZINC000626115574 345335347 /nfs/dbraw/zinc/33/53/47/345335347.db2.gz YACXIKDJGCSOMF-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635512417 345409300 /nfs/dbraw/zinc/40/93/00/345409300.db2.gz RIORMTVGAUMNGP-WRWGMCAJSA-N 0 1 247.342 2.303 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)C[C@H](C)O1 ZINC000562653589 345427741 /nfs/dbraw/zinc/42/77/41/345427741.db2.gz GWDVSZAPGPUGIC-DOFRTFSJSA-N 0 1 246.314 2.326 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)C[C@H](C)O1 ZINC000562653589 345427744 /nfs/dbraw/zinc/42/77/44/345427744.db2.gz GWDVSZAPGPUGIC-DOFRTFSJSA-N 0 1 246.314 2.326 20 0 BEADMN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635487230 345395557 /nfs/dbraw/zinc/39/55/57/345395557.db2.gz LGZXQAZDTYWHDH-UPJWGTAASA-N 0 1 240.391 2.412 20 0 BEADMN CCN(C(=O)[C@@H](C)N(C)C)[C@@H]1CCCC[C@@H]1C ZINC000635492953 345396349 /nfs/dbraw/zinc/39/63/49/345396349.db2.gz JZRKZTXCYUQTAY-YNEHKIRRSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635498099 345401383 /nfs/dbraw/zinc/40/13/83/345401383.db2.gz SEHFZMALRZTMEI-FRRDWIJNSA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)[C@@H](C)N(C)C)C1CC1 ZINC000635505049 345402242 /nfs/dbraw/zinc/40/22/42/345402242.db2.gz HDFOWUZRXZPFOX-SDDRHHMPSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)[C@@H](C)N(C)C)C1CC1 ZINC000635505046 345402462 /nfs/dbraw/zinc/40/24/62/345402462.db2.gz HDFOWUZRXZPFOX-GRYCIOLGSA-N 0 1 240.391 2.362 20 0 BEADMN CCc1nc(CNCCSC)cs1 ZINC000070184769 345456549 /nfs/dbraw/zinc/45/65/49/345456549.db2.gz UFOFOEASWFNNBD-UHFFFAOYSA-N 0 1 216.375 2.158 20 0 BEADMN CC(C)N(C(=O)CN1CCC12CCC2)C(C)C ZINC000081545170 345477555 /nfs/dbraw/zinc/47/75/55/345477555.db2.gz GPRKJLDLQMMDGO-UHFFFAOYSA-N 0 1 238.375 2.260 20 0 BEADMN CNC(=O)c1cccc(CN2CCC23CCC3)c1 ZINC000081515904 345482628 /nfs/dbraw/zinc/48/26/28/345482628.db2.gz IOCGOOSYLZWKHV-UHFFFAOYSA-N 0 1 244.338 2.175 20 0 BEADMN CC(C)(O)CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000081648390 345483159 /nfs/dbraw/zinc/48/31/59/345483159.db2.gz AVTDHUHEGNJQBO-AWEZNQCLSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)(O)CCN1CCO[C@H](c2ccccc2)C1 ZINC000081648390 345483161 /nfs/dbraw/zinc/48/31/61/345483161.db2.gz AVTDHUHEGNJQBO-AWEZNQCLSA-N 0 1 249.354 2.221 20 0 BEADMN CC[N@H+](Cc1cc(C(=O)[O-])co1)CC1CC1 ZINC000068947378 349931548 /nfs/dbraw/zinc/93/15/48/349931548.db2.gz GXKGZIWICGEKBJ-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN Fc1cccnc1N1CCN(CC2CCC2)CC1 ZINC000090632789 345573595 /nfs/dbraw/zinc/57/35/95/345573595.db2.gz DPYCSSOSASFQCO-UHFFFAOYSA-N 0 1 249.333 2.143 20 0 BEADMN CCC[C@@H](CC)S(=O)(=O)Nc1conc1C ZINC000641693863 362610220 /nfs/dbraw/zinc/61/02/20/362610220.db2.gz JASFDTBZTGNFOW-SECBINFHSA-N 0 1 246.332 2.303 20 0 BEADMN Nc1cnccc1CN[C@H]1CCCc2occc21 ZINC000641707719 362619287 /nfs/dbraw/zinc/61/92/87/362619287.db2.gz PITRWXIYJFYYGM-ZDUSSCGKSA-N 0 1 243.310 2.424 20 0 BEADMN C[C@@H](CN(C)Cc1cnnn1C)c1ccccc1 ZINC000093008849 345654566 /nfs/dbraw/zinc/65/45/66/345654566.db2.gz YMKBNMCCQYDWNS-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN CC[C@H](COc1ccccc1-c1nnc[nH]1)OC ZINC000418911957 192090545 /nfs/dbraw/zinc/09/05/45/192090545.db2.gz CYSHFRUHJGLOBZ-SNVBAGLBSA-N 0 1 247.298 2.276 20 0 BEADMN c1ccc2c(c1)nccc2SCc1nn[nH]n1 ZINC000095250833 345685451 /nfs/dbraw/zinc/68/54/51/345685451.db2.gz LTSGVWPUPCJYLI-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN CCOC(=O)c1ccc(CN2CCCCC2)[nH]1 ZINC000261027364 345693307 /nfs/dbraw/zinc/69/33/07/345693307.db2.gz FCKQPAKRRYUOFP-UHFFFAOYSA-N 0 1 236.315 2.177 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C)CC1 ZINC000216542699 345743559 /nfs/dbraw/zinc/74/35/59/345743559.db2.gz HQELDWPCMQDQPG-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C(C)C)o1 ZINC000143314187 345705762 /nfs/dbraw/zinc/70/57/62/345705762.db2.gz TUJGGOBIZOFKSA-SNVBAGLBSA-N 0 1 223.320 2.252 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCC(C)C ZINC000145056370 345709713 /nfs/dbraw/zinc/70/97/13/345709713.db2.gz QFFDJLVKRHKGTR-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN CC(=O)CCC(=O)Nc1ccccc1CN(C)C ZINC000203582457 345731217 /nfs/dbraw/zinc/73/12/17/345731217.db2.gz DPMHWSQIINRZHH-UHFFFAOYSA-N 0 1 248.326 2.056 20 0 BEADMN CCCCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000205856236 345733337 /nfs/dbraw/zinc/73/33/37/345733337.db2.gz QSVVIHKUSYIAGZ-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nc(C)c(CNCCOC2CCCC2)o1 ZINC000628209817 345808398 /nfs/dbraw/zinc/80/83/98/345808398.db2.gz VAWKYEKSTLRAQM-UHFFFAOYSA-N 0 1 238.331 2.340 20 0 BEADMN CCC(C)(C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000138365012 345764680 /nfs/dbraw/zinc/76/46/80/345764680.db2.gz SHDIUFNWAPPNIT-UHFFFAOYSA-N 0 1 245.326 2.410 20 0 BEADMN CCCN1CCOc2cc(F)ccc2C1 ZINC000626152160 345781047 /nfs/dbraw/zinc/78/10/47/345781047.db2.gz HCUDNEBZYCRRPE-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN CCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000167726950 345798518 /nfs/dbraw/zinc/79/85/18/345798518.db2.gz AJQAPYFZLLCIPY-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)N(C)C ZINC000635575660 345838602 /nfs/dbraw/zinc/83/86/02/345838602.db2.gz KDEWMLKRRJUEEL-FDYHWXHSSA-N 0 1 238.375 2.116 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635600475 345887123 /nfs/dbraw/zinc/88/71/23/345887123.db2.gz ZRULYYGRXFAVQK-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cccc([C@@H](C)CNC(=O)[C@@H](C)N(C)C)c1 ZINC000635599395 345887142 /nfs/dbraw/zinc/88/71/42/345887142.db2.gz CZBKWDVDSQHFKU-QWHCGFSZSA-N 0 1 248.370 2.165 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635583934 345879658 /nfs/dbraw/zinc/87/96/58/345879658.db2.gz BTAKJLKARQGOSM-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)[C@@H]1CCCCN1C ZINC000635649106 345925885 /nfs/dbraw/zinc/92/58/85/345925885.db2.gz RQGJDRMTVOKTJC-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@H](C(C)C)C2)o1 ZINC000232693574 537921666 /nfs/dbraw/zinc/92/16/66/537921666.db2.gz HESJFGQRQSVAHD-NEPJUHHUSA-N 0 1 238.331 2.276 20 0 BEADMN Cc1ncccc1NC(=O)CN(C)CC(C)(C)C ZINC000635634370 345908714 /nfs/dbraw/zinc/90/87/14/345908714.db2.gz FDNUIGWOPQTHRU-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635634319 345908785 /nfs/dbraw/zinc/90/87/85/345908785.db2.gz DGZFBVAFPGPYJJ-DDHJBXDOSA-N 0 1 247.342 2.160 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2C=CCCC2)[nH]1 ZINC001639094215 1172067800 /nfs/dbraw/zinc/06/78/00/1172067800.db2.gz WXXCQPIZQKAWCW-NSHDSACASA-N 0 1 247.342 2.335 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000635635851 345911192 /nfs/dbraw/zinc/91/11/92/345911192.db2.gz UDVMCYPUAFPQLF-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N(C)C)[C@H](C)c1ccccc1 ZINC000635641761 345914386 /nfs/dbraw/zinc/91/43/86/345914386.db2.gz WRXMFZQLTGEYRO-YNEHKIRRSA-N 0 1 248.370 2.245 20 0 BEADMN CC(C)Cc1nsc(NC[C@H]2CC23CC3)n1 ZINC000418972420 192092958 /nfs/dbraw/zinc/09/29/58/192092958.db2.gz BZQZIHBBCMLTPU-SECBINFHSA-N 0 1 237.372 2.371 20 0 BEADMN C[C@H](C(=O)N1CC(C)(C)c2ccccc21)N(C)C ZINC000635674161 345971751 /nfs/dbraw/zinc/97/17/51/345971751.db2.gz AMWHWRKAZLBMRL-LLVKDONJSA-N 0 1 246.354 2.261 20 0 BEADMN CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)C ZINC000635674164 345971855 /nfs/dbraw/zinc/97/18/55/345971855.db2.gz AOMMUZFXYQVVBN-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000300226104 345994820 /nfs/dbraw/zinc/99/48/20/345994820.db2.gz WHWDZJXUMOWURA-WCQYABFASA-N 0 1 227.348 2.465 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCCCN1C ZINC000601000878 345987224 /nfs/dbraw/zinc/98/72/24/345987224.db2.gz KQXQTCQKRGNKOA-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000601005180 345993131 /nfs/dbraw/zinc/99/31/31/345993131.db2.gz MZKBEVLREVSSTC-CQSZACIVSA-N 0 1 244.338 2.013 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC000635754085 346050542 /nfs/dbraw/zinc/05/05/42/346050542.db2.gz UNYSKLUFOAEETD-DDHJBXDOSA-N 0 1 247.342 2.018 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635767143 346057855 /nfs/dbraw/zinc/05/78/55/346057855.db2.gz ZOKPHGYNZYQINY-XQQFMLRXSA-N 0 1 238.375 2.260 20 0 BEADMN CCC1(CNC(=O)[C@@H](C)N(C)C)CCCCC1 ZINC000635803119 346068372 /nfs/dbraw/zinc/06/83/72/346068372.db2.gz XXBVHUDLRPGYNW-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H]1[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635815437 346071414 /nfs/dbraw/zinc/07/14/14/346071414.db2.gz AYXMIFWIITTZNV-UZWSLXQKSA-N 0 1 247.342 2.160 20 0 BEADMN CC(C)CN(C)Cc1ccn(C(F)F)n1 ZINC000347655469 535024002 /nfs/dbraw/zinc/02/40/02/535024002.db2.gz AQPJRHJMEINVQR-UHFFFAOYSA-N 0 1 217.263 2.366 20 0 BEADMN Cc1cc(C)cc(CN(C)C(=O)[C@@H](C)N(C)C)c1 ZINC000635859779 346087317 /nfs/dbraw/zinc/08/73/17/346087317.db2.gz SORXLPOSOPPCMU-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN C[C@H](C(=O)NCc1ccc(C2CC2)cc1)N(C)C ZINC000635847462 346089637 /nfs/dbraw/zinc/08/96/37/346089637.db2.gz ZAMXOORGDYNBJN-LLVKDONJSA-N 0 1 246.354 2.130 20 0 BEADMN CCC(C)(C)CNC(=O)[C@@H]1CCCCN1C ZINC000635853827 346091457 /nfs/dbraw/zinc/09/14/57/346091457.db2.gz MLSHWSIVUDHMMY-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C(NCCN1CC=CCC1)C1CCC=CCC1 ZINC000635877478 346096607 /nfs/dbraw/zinc/09/66/07/346096607.db2.gz LLXLRYLTMUUBFF-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000635892833 346104202 /nfs/dbraw/zinc/10/42/02/346104202.db2.gz DCNCLTRCAMLSTK-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](C(=O)NC(C1CCC1)C1CCC1)N(C)C ZINC000635923975 346115750 /nfs/dbraw/zinc/11/57/50/346115750.db2.gz PGPVVVHZBUDSAR-SNVBAGLBSA-N 0 1 238.375 2.022 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCCC(C)(F)F ZINC000635973880 346129423 /nfs/dbraw/zinc/12/94/23/346129423.db2.gz SBWAPSJKKPPROI-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636033467 346169261 /nfs/dbraw/zinc/16/92/61/346169261.db2.gz BQXAAQPCEFRWLO-IYKVGLELSA-N 0 1 247.342 2.016 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)[C@@H](C)N(C)C ZINC000635997415 346149660 /nfs/dbraw/zinc/14/96/60/346149660.db2.gz WBOYBKBAHQJNCJ-JHJVBQTASA-N 0 1 240.391 2.076 20 0 BEADMN C[C@H](C(=O)N1CC[C@H](CC(C)(C)C)C1)N(C)C ZINC000636011480 346153139 /nfs/dbraw/zinc/15/31/39/346153139.db2.gz XRYPYZUOTBTOQS-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636018970 346157876 /nfs/dbraw/zinc/15/78/76/346157876.db2.gz QIDMJTBPQWXKEU-FTUHBYGFSA-N 0 1 247.342 2.064 20 0 BEADMN Cc1ncc(CN2CCCC3(CC3)C2)o1 ZINC000628240487 346202856 /nfs/dbraw/zinc/20/28/56/346202856.db2.gz HHTZLFDSURNNDO-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN Cc1ccc(COCCc2c[nH]nn2)cc1C ZINC000419050106 192098525 /nfs/dbraw/zinc/09/85/25/192098525.db2.gz CUSRTJXEWFDYRQ-UHFFFAOYSA-N 0 1 231.299 2.181 20 0 BEADMN Cc1cccc(CCCOCCc2c[nH]nn2)c1 ZINC000419056147 192098836 /nfs/dbraw/zinc/09/88/36/192098836.db2.gz QAXDXKAILDREBZ-UHFFFAOYSA-N 0 1 245.326 2.305 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000054041985 1172076527 /nfs/dbraw/zinc/07/65/27/1172076527.db2.gz MQTKRKPLSHDAQH-NWDGAFQWSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1nc(C)c(CN2CC(C(C)C)C2)o1 ZINC000628254526 346238543 /nfs/dbraw/zinc/23/85/43/346238543.db2.gz FADPGAMVPJVNRL-UHFFFAOYSA-N 0 1 208.305 2.379 20 0 BEADMN Cc1cccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1C ZINC000070075735 179013459 /nfs/dbraw/zinc/01/34/59/179013459.db2.gz JQEOSCAMOFZQCS-TXEJJXNPSA-N 0 1 246.354 2.126 20 0 BEADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](O)C1 ZINC000152160667 346250489 /nfs/dbraw/zinc/25/04/89/346250489.db2.gz PHDUHBDXQQNBJM-STQMWFEESA-N 0 1 223.291 2.343 20 0 BEADMN Cc1cc(C(=O)CN2CCC[C@H]2C)c(C)[nH]1 ZINC000037911709 346259270 /nfs/dbraw/zinc/25/92/70/346259270.db2.gz KEEJPGCXQQHWJE-SNVBAGLBSA-N 0 1 220.316 2.299 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CO)CCC(C)C)no1 ZINC000624110899 346298651 /nfs/dbraw/zinc/29/86/51/346298651.db2.gz IRTXNUVNBZIKCG-NEPJUHHUSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC000636066379 346306307 /nfs/dbraw/zinc/30/63/07/346306307.db2.gz BRHJRXMBYIOTHD-LBPRGKRZSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1noc(C)c1CNc1cccc2[nH]nnc21 ZINC000641758945 362689826 /nfs/dbraw/zinc/68/98/26/362689826.db2.gz WMPSCIIRNJFIFS-UHFFFAOYSA-N 0 1 243.270 2.175 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](N[C@@H](C)C(F)F)[C@@H]1C ZINC000603429075 349950992 /nfs/dbraw/zinc/95/09/92/349950992.db2.gz LPLUOFQELBBIQH-KATARQTJSA-N 0 1 249.301 2.207 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1=C(C)CCC1 ZINC000636067684 346308780 /nfs/dbraw/zinc/30/87/80/346308780.db2.gz FOBTZMCFJJXBOM-UHFFFAOYSA-N 0 1 233.315 2.177 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)C1CCC1 ZINC000636070040 346311158 /nfs/dbraw/zinc/31/11/58/346311158.db2.gz FGQQFZXABOJSPF-SECBINFHSA-N 0 1 235.331 2.113 20 0 BEADMN O=C(NCc1ccc2nc[nH]c2c1)C1CCCC1 ZINC000074998425 346314248 /nfs/dbraw/zinc/31/42/48/346314248.db2.gz IXDLWVJBFIGKSC-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN CCN(Cc1cccc(Cl)c1)[C@@H](C)C(N)=O ZINC000154033381 346317269 /nfs/dbraw/zinc/31/72/69/346317269.db2.gz CFONMYBVZUBQCR-VIFPVBQESA-N 0 1 240.734 2.036 20 0 BEADMN CCc1nc(CN[C@H](C)CC(C)(C)O)cs1 ZINC000294994505 346335877 /nfs/dbraw/zinc/33/58/77/346335877.db2.gz HWWAWZDGNOHSFQ-SECBINFHSA-N 0 1 242.388 2.345 20 0 BEADMN CCOc1cccc(-c2noc([C@H](C)NC)n2)c1 ZINC000054053210 1172080913 /nfs/dbraw/zinc/08/09/13/1172080913.db2.gz NGXRKXDXKPRNSW-VIFPVBQESA-N 0 1 247.298 2.416 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000636291372 346381090 /nfs/dbraw/zinc/38/10/90/346381090.db2.gz KKMPZPMRKFREPN-NTQVKLLNSA-N 0 1 238.375 2.141 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000636291375 346381380 /nfs/dbraw/zinc/38/13/80/346381380.db2.gz KKMPZPMRKFREPN-QLQVPFRHSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cccc(CN(C)Cc2ccn(C)c2)n1 ZINC000353752001 179069047 /nfs/dbraw/zinc/06/90/47/179069047.db2.gz RCEONQRUWLIWBG-UHFFFAOYSA-N 0 1 229.327 2.361 20 0 BEADMN Cc1cccc(CN(C)Cc2nnc[nH]2)c1C ZINC000179793473 179070610 /nfs/dbraw/zinc/07/06/10/179070610.db2.gz QKDNENFSGSIAGT-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN OCCCN(Cc1ccc(Cl)cn1)C1CC1 ZINC000679213928 488317305 /nfs/dbraw/zinc/31/73/05/488317305.db2.gz FWJSYHRYSOTHND-UHFFFAOYSA-N 0 1 240.734 2.082 20 0 BEADMN CCc1nc(CN2CCc3cccc(C)c32)n[nH]1 ZINC000159032698 346406076 /nfs/dbraw/zinc/40/60/76/346406076.db2.gz YKDMEJQILADZFF-UHFFFAOYSA-N 0 1 242.326 2.238 20 0 BEADMN Cc1cccc(CN2CCOCC3(CCC3)C2)n1 ZINC000336445720 179079232 /nfs/dbraw/zinc/07/92/32/179079232.db2.gz XCSJZJMHEGLCNJ-UHFFFAOYSA-N 0 1 246.354 2.393 20 0 BEADMN Cc1cccc(CN2CCS[C@H](C)C2)n1 ZINC000334150568 179080197 /nfs/dbraw/zinc/08/01/97/179080197.db2.gz JESBNXDOCWMTCL-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN Cc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336507107 179083989 /nfs/dbraw/zinc/08/39/89/179083989.db2.gz FSQBTBGOMFHKNU-OKILXGFUSA-N 0 1 217.312 2.358 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(C)ccc1OC ZINC000574955570 346453865 /nfs/dbraw/zinc/45/38/65/346453865.db2.gz XLGIEGATGYVCRR-JSGCOSHPSA-N 0 1 235.327 2.271 20 0 BEADMN C[C@H]1CN(C(=O)CC2=CCCCC2)C[C@H](C)N1 ZINC000070076106 349965677 /nfs/dbraw/zinc/96/56/77/349965677.db2.gz ZKPZIYHTKTVFKL-RYUDHWBXSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1cccc(CNC[C@@H](O)C(F)(F)F)c1 ZINC000070169049 179092417 /nfs/dbraw/zinc/09/24/17/179092417.db2.gz ZNCPAIOLGUYVCC-SNVBAGLBSA-N 0 1 233.233 2.008 20 0 BEADMN Cc1cccc(CNCc2ccc(CO)o2)c1 ZINC000077897762 179093385 /nfs/dbraw/zinc/09/33/85/179093385.db2.gz DNCFRZULJMZGAF-UHFFFAOYSA-N 0 1 231.295 2.370 20 0 BEADMN Cc1c[nH]nc1CNCc1cccc(C)c1 ZINC000289716615 179095874 /nfs/dbraw/zinc/09/58/74/179095874.db2.gz CQCBTHGXQKTJRS-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN Cc1cccc(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294845169 179096104 /nfs/dbraw/zinc/09/61/04/179096104.db2.gz RMJXYRJJBOVPHG-UHFFFAOYSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1cccc(CNCc2cncn2C)c1 ZINC000082394053 179096321 /nfs/dbraw/zinc/09/63/21/179096321.db2.gz KCHCOXSLMZEBOI-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CC(C)c1[nH]ncc1C(=O)N1OC2CCC1CC2 ZINC000636408006 346484591 /nfs/dbraw/zinc/48/45/91/346484591.db2.gz FEXKJOUKTVURKW-UHFFFAOYSA-N 0 1 249.314 2.232 20 0 BEADMN C[C@H](CN(C)C(=O)C1(N(C)C)CC1)C(C)(C)C ZINC000636428176 346524532 /nfs/dbraw/zinc/52/45/32/346524532.db2.gz BFNRCLZGAWUQDE-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CCC(SC)CC1 ZINC000300838971 346562645 /nfs/dbraw/zinc/56/26/45/346562645.db2.gz LVDWBUDKRWMBLN-LLVKDONJSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H](CN(C)C(=O)c1cnc[nH]1)C(C)(C)C ZINC000636431635 346532032 /nfs/dbraw/zinc/53/20/32/346532032.db2.gz FZWDMBBEUBJAJG-SECBINFHSA-N 0 1 223.320 2.164 20 0 BEADMN COC[C@@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000187093630 346554959 /nfs/dbraw/zinc/55/49/59/346554959.db2.gz YXPAVDSAMYFHJO-NWDGAFQWSA-N 0 1 237.347 2.219 20 0 BEADMN COC[C@H](C)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000187370101 346571519 /nfs/dbraw/zinc/57/15/19/346571519.db2.gz RBDUFUFNGKYXDR-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)on1 ZINC000390520470 259392030 /nfs/dbraw/zinc/39/20/30/259392030.db2.gz FENICKZVAWGPCZ-CKYFFXLPSA-N 0 1 224.304 2.201 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C[C@@H]1CC1(C)C ZINC000621043577 346585696 /nfs/dbraw/zinc/58/56/96/346585696.db2.gz FANJCYDRCVCDPI-QWRGUYRKSA-N 0 1 249.358 2.093 20 0 BEADMN CCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589074265 346663381 /nfs/dbraw/zinc/66/33/81/346663381.db2.gz YQEGHUGFSPXQBX-UHFFFAOYSA-N 0 1 244.298 2.396 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@H+](CC[C@H](C)F)C1 ZINC000580205896 346665584 /nfs/dbraw/zinc/66/55/84/346665584.db2.gz HKRTVYFWCOWLIL-CMPLNLGQSA-N 0 1 231.311 2.167 20 0 BEADMN COC[C@@]1(C)CN(Cc2cccc(C)c2)CCO1 ZINC000626170510 346675290 /nfs/dbraw/zinc/67/52/90/346675290.db2.gz ILKWSGGBMMZQIE-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN Cc1nnc([C@H](C)NCCCC(C)C)o1 ZINC000380064819 365836555 /nfs/dbraw/zinc/83/65/55/365836555.db2.gz BTQQTHIISBACJT-VIFPVBQESA-N 0 1 211.309 2.465 20 0 BEADMN C[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C)C1 ZINC000684516440 488324685 /nfs/dbraw/zinc/32/46/85/488324685.db2.gz ZYGXCFVMOQHCAB-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@@H](O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000572796837 346708685 /nfs/dbraw/zinc/70/86/85/346708685.db2.gz LWDDUVJFSWEBPL-AWEZNQCLSA-N 0 1 236.359 2.309 20 0 BEADMN Cc1cccc(NCCC(C)(C)CO)n1 ZINC000294994306 179143108 /nfs/dbraw/zinc/14/31/08/179143108.db2.gz QTZUJIKBFUBNFX-UHFFFAOYSA-N 0 1 208.305 2.211 20 0 BEADMN Cc1ncncc1[C@@H](C)NCc1cccnc1 ZINC000580212416 346688262 /nfs/dbraw/zinc/68/82/62/346688262.db2.gz KZCHWSAHESEKOM-SNVBAGLBSA-N 0 1 228.299 2.031 20 0 BEADMN CN(C)CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000589324161 346688306 /nfs/dbraw/zinc/68/83/06/346688306.db2.gz NVXJPPSVCSLAMN-AWEZNQCLSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cccc(NC[C@@H]2CCCOC2)n1 ZINC000038046210 179147251 /nfs/dbraw/zinc/14/72/51/179147251.db2.gz XMUSLALIOGGZGY-NSHDSACASA-N 0 1 206.289 2.229 20 0 BEADMN C[C@@H](CCO)SCc1n[nH]c(C(C)(C)C)n1 ZINC000590058038 346769002 /nfs/dbraw/zinc/76/90/02/346769002.db2.gz BADGBNKSFJUNAT-QMMMGPOBSA-N 0 1 243.376 2.106 20 0 BEADMN CCc1noc(CN2CCC[C@@H]2CC)n1 ZINC000590062483 346770016 /nfs/dbraw/zinc/77/00/16/346770016.db2.gz DENWZKPVTUZIAS-VIFPVBQESA-N 0 1 209.293 2.006 20 0 BEADMN Cc1nnc(CN[C@@H]2CCCC23CC3)s1 ZINC000580659920 365855707 /nfs/dbraw/zinc/85/57/07/365855707.db2.gz LXQMPLBSNFZWPP-SECBINFHSA-N 0 1 223.345 2.269 20 0 BEADMN Cc1nnc(CN[C@H]2CCCC23CC3)s1 ZINC000580659932 365855749 /nfs/dbraw/zinc/85/57/49/365855749.db2.gz LXQMPLBSNFZWPP-VIFPVBQESA-N 0 1 223.345 2.269 20 0 BEADMN COc1nccnc1CN(CC1CC1)C(C)C ZINC000582043242 347119881 /nfs/dbraw/zinc/11/98/81/347119881.db2.gz QUEMKUKMOTUIOD-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1cccc(O[C@@H](C)CNCc2ncc[nH]2)c1 ZINC000083374233 179173589 /nfs/dbraw/zinc/17/35/89/179173589.db2.gz DZLUKLDMHNGUQE-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccc(C)o2)[nH]n1 ZINC000309803792 347169495 /nfs/dbraw/zinc/16/94/95/347169495.db2.gz RROJWSHRRDPVFI-JTQLQIEISA-N 0 1 219.288 2.470 20 0 BEADMN Cc1cccc(O[C@H](C)CNCc2ncc[nH]2)c1 ZINC000083374234 179175118 /nfs/dbraw/zinc/17/51/18/179175118.db2.gz DZLUKLDMHNGUQE-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN CCc1nc(C)c(CNC(C)(C)COC)o1 ZINC000309643104 347129365 /nfs/dbraw/zinc/12/93/65/347129365.db2.gz LGSJNVZWGHSIIK-UHFFFAOYSA-N 0 1 226.320 2.060 20 0 BEADMN Cc1cccc([C@@H](C)N(C)[C@H]2CCN(C)C2=O)c1 ZINC000266721717 179179065 /nfs/dbraw/zinc/17/90/65/179179065.db2.gz HZSSYQIQFVSRSQ-OCCSQVGLSA-N 0 1 246.354 2.219 20 0 BEADMN CCCCCOC1CN(C[C@@H](C)COC)C1 ZINC000582048351 347131790 /nfs/dbraw/zinc/13/17/90/347131790.db2.gz KNEDLJNSIMCMSM-GFCCVEGCSA-N 0 1 229.364 2.160 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2cc[nH]c(=O)c2)o1 ZINC000628295335 347212405 /nfs/dbraw/zinc/21/24/05/347212405.db2.gz LDSGGWLRTVRUEA-QMMMGPOBSA-N 0 1 247.298 2.243 20 0 BEADMN CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185461340 347202384 /nfs/dbraw/zinc/20/23/84/347202384.db2.gz QTKASXUGUXSGPG-NSHDSACASA-N 0 1 224.373 2.447 20 0 BEADMN CCc1nc(CN[C@@](C)(CO)C(C)C)cs1 ZINC000309948411 347204175 /nfs/dbraw/zinc/20/41/75/347204175.db2.gz FDHQTBOKXPQLNT-LBPRGKRZSA-N 0 1 242.388 2.202 20 0 BEADMN CC[C@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000184655106 347171224 /nfs/dbraw/zinc/17/12/24/347171224.db2.gz JNVFWYSNUHLMQN-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000184655086 347171558 /nfs/dbraw/zinc/17/15/58/347171558.db2.gz JNVFWYSNUHLMQN-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000062876632 347238174 /nfs/dbraw/zinc/23/81/74/347238174.db2.gz BCTJHKJQAQRYLH-AWEZNQCLSA-N 0 1 233.311 2.373 20 0 BEADMN CCCc1cc(C(=O)N2C3CCC2CC3)n[nH]1 ZINC000641906953 362800882 /nfs/dbraw/zinc/80/08/82/362800882.db2.gz PRAFOQSCXSIFPA-UHFFFAOYSA-N 0 1 233.315 2.129 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000627372829 347255857 /nfs/dbraw/zinc/25/58/57/347255857.db2.gz XWRYOGNQTCSCMA-GHMZBOCLSA-N 0 1 247.342 2.121 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1cnc(C)o1)OC ZINC000628297730 347259166 /nfs/dbraw/zinc/25/91/66/347259166.db2.gz JSKWPUDUWXHHJR-SKDRFNHKSA-N 0 1 226.320 2.134 20 0 BEADMN CC[C@H](C)[C@H](CNCc1cnc(C)o1)OC ZINC000628297728 347259420 /nfs/dbraw/zinc/25/94/20/347259420.db2.gz JSKWPUDUWXHHJR-CABZTGNLSA-N 0 1 226.320 2.134 20 0 BEADMN CCCC[C@@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000300846262 347269622 /nfs/dbraw/zinc/26/96/22/347269622.db2.gz AMVRCDCBWJXFEQ-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cccc2c1CN(Cc1cnn(C)c1)CC2 ZINC000277083122 179215768 /nfs/dbraw/zinc/21/57/68/179215768.db2.gz FKMHFZOIWHGEBG-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000382527530 347351257 /nfs/dbraw/zinc/35/12/57/347351257.db2.gz HTSMJIDZCYURLY-VIFPVBQESA-N 0 1 249.232 2.044 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CC1CC1 ZINC000191950413 347364105 /nfs/dbraw/zinc/36/41/05/347364105.db2.gz FBTLOVQNCYQCAU-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN Cc1[nH]ncc1C(=O)N1CCc2cccc(C)c21 ZINC000179558515 179218320 /nfs/dbraw/zinc/21/83/20/179218320.db2.gz GNPKTMOKJFAMHR-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN C[C@@H]1CCC[C@]1(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627373475 347373507 /nfs/dbraw/zinc/37/35/07/347373507.db2.gz SIGWDTXVEHAUNH-YGRLFVJLSA-N 0 1 247.342 2.121 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCCC[C@@H]2C)n1C ZINC000194143250 347414460 /nfs/dbraw/zinc/41/44/60/347414460.db2.gz KJMWPERIOLHSJD-CMPLNLGQSA-N 0 1 236.363 2.134 20 0 BEADMN COCC(COC)NCc1cc(Cl)cs1 ZINC000388397181 347383625 /nfs/dbraw/zinc/38/36/25/347383625.db2.gz JRQLJMDZORTDTO-UHFFFAOYSA-N 0 1 249.763 2.153 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000616921246 347450227 /nfs/dbraw/zinc/45/02/27/347450227.db2.gz KOLRHURPQTVOOH-STQMWFEESA-N 0 1 247.342 2.194 20 0 BEADMN CC(C)[C@H](CCO)NCc1ncc(C2CC2)o1 ZINC000355059822 187374774 /nfs/dbraw/zinc/37/47/74/187374774.db2.gz PKWIGIOPDFWDCK-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN CCc1ccsc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616924656 347455520 /nfs/dbraw/zinc/45/55/20/347455520.db2.gz QZTRKRGESODKRW-UHFFFAOYSA-N 0 1 249.339 2.306 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C1CCCCCC1 ZINC000616924794 347456528 /nfs/dbraw/zinc/45/65/28/347456528.db2.gz WIAWJFPBSKLDRG-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616925599 347456893 /nfs/dbraw/zinc/45/68/93/347456893.db2.gz LABNVZPSQLGYGG-WDEREUQCSA-N 0 1 235.331 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC1=CCCCC1 ZINC000616925661 347457126 /nfs/dbraw/zinc/45/71/26/347457126.db2.gz MLLJGOVXMYXYQV-UHFFFAOYSA-N 0 1 233.315 2.259 20 0 BEADMN Cc1cccc2nc(CN3CC[C@@H](C)C3)cn21 ZINC000263715197 179229571 /nfs/dbraw/zinc/22/95/71/179229571.db2.gz NVANAOPLTJVEHH-LLVKDONJSA-N 0 1 229.327 2.485 20 0 BEADMN CC(C)CCCC(=O)N(C)Cc1cnc[nH]1 ZINC000616928466 347494591 /nfs/dbraw/zinc/49/45/91/347494591.db2.gz AIPCFKBHLSEXIG-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN CCCc1occc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616928627 347494728 /nfs/dbraw/zinc/49/47/28/347494728.db2.gz HFSDCDLZTYLHQD-UHFFFAOYSA-N 0 1 247.298 2.227 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616929022 347495958 /nfs/dbraw/zinc/49/59/58/347495958.db2.gz RGCZGFMGAZNRAM-CMPLNLGQSA-N 0 1 235.331 2.194 20 0 BEADMN CC(C)CC(C)(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616926726 347458539 /nfs/dbraw/zinc/45/85/39/347458539.db2.gz NOJQTERMYHRTEO-UHFFFAOYSA-N 0 1 237.347 2.440 20 0 BEADMN C[C@H]1CCC[C@H]1CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927403 347459322 /nfs/dbraw/zinc/45/93/22/347459322.db2.gz IFFCTFKUGGATRA-QWRGUYRKSA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)NCCN1CCC1 ZINC000356493026 187377207 /nfs/dbraw/zinc/37/72/07/187377207.db2.gz XEFXJVQFWYVKAJ-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN Cc1ccccc1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000074556681 179248807 /nfs/dbraw/zinc/24/88/07/179248807.db2.gz ZEXLVEQKBUBQKH-BETUJISGSA-N 0 1 246.354 2.160 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000616973859 347544683 /nfs/dbraw/zinc/54/46/83/347544683.db2.gz FCANZJBJJQZNSR-MNOVXSKESA-N 0 1 237.347 2.235 20 0 BEADMN CCc1cc(C(=O)N(CC)[C@H](C)CC)n[nH]1 ZINC000616983333 347565402 /nfs/dbraw/zinc/56/54/02/347565402.db2.gz LHGCMWZQGDGZJW-SECBINFHSA-N 0 1 223.320 2.233 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@H](C)C1CC1 ZINC000591159249 347626559 /nfs/dbraw/zinc/62/65/59/347626559.db2.gz FILRONOCAYGAAM-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000042307385 179269203 /nfs/dbraw/zinc/26/92/03/179269203.db2.gz UTHCSLWRYGTIRS-NSHDSACASA-N 0 1 221.300 2.148 20 0 BEADMN Cc1ccccc1CN(C)Cc1cnc[nH]1 ZINC000280571047 179270003 /nfs/dbraw/zinc/27/00/03/179270003.db2.gz WBMVCQYFIJUAOR-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN COC(=O)CC1CC(N[C@@H]2CCCC2(F)F)C1 ZINC000591657869 347687806 /nfs/dbraw/zinc/68/78/06/347687806.db2.gz VYSVEJFTTSHPPT-UDNWOFFPSA-N 0 1 247.285 2.106 20 0 BEADMN Cc1ccccc1CN1CCc2n[nH]cc2C1 ZINC000265467863 179275975 /nfs/dbraw/zinc/27/59/75/179275975.db2.gz YZIQCPIMSJLMGH-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN Cc1cc(CN2CCC[C@H](n3ccnc3)C2)on1 ZINC000591867931 347708329 /nfs/dbraw/zinc/70/83/29/347708329.db2.gz UINWUQHYJKWSLH-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)SCc1nc(C2(N)CCCC2)no1 ZINC000592353376 347766831 /nfs/dbraw/zinc/76/68/31/347766831.db2.gz DTDKSFABSGYRJW-UHFFFAOYSA-N 0 1 241.360 2.439 20 0 BEADMN COC(=O)[C@H]1C[C@H](C)CCN1CC1=CCCC1 ZINC000592106664 347734656 /nfs/dbraw/zinc/73/46/56/347734656.db2.gz KZSYTMBRILTUPO-DGCLKSJQSA-N 0 1 237.343 2.370 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CC1=CCCC1 ZINC000592107758 347734937 /nfs/dbraw/zinc/73/49/37/347734937.db2.gz NRHGAMOOMVSYHY-ZDUSSCGKSA-N 0 1 223.316 2.124 20 0 BEADMN CC[C@@H](C)N(CC(=O)OC)CC1=CCCC1 ZINC000592121204 347736394 /nfs/dbraw/zinc/73/63/94/347736394.db2.gz PCNXBDRUYSRQNZ-LLVKDONJSA-N 0 1 225.332 2.370 20 0 BEADMN CC[C@H](C)N(CC(=O)OC)CC1=CCCC1 ZINC000592121205 347736581 /nfs/dbraw/zinc/73/65/81/347736581.db2.gz PCNXBDRUYSRQNZ-NSHDSACASA-N 0 1 225.332 2.370 20 0 BEADMN CCOC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592199093 347750889 /nfs/dbraw/zinc/75/08/89/347750889.db2.gz WVRYFYARKYGGIC-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(CC)CCSC ZINC000592200144 347752306 /nfs/dbraw/zinc/75/23/06/347752306.db2.gz LAIGFAWRNWITQZ-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN Cc1c[nH]nc1CNCc1ccccc1C ZINC000289968556 179282776 /nfs/dbraw/zinc/28/27/76/179282776.db2.gz RAOVZWZLISPBKL-UHFFFAOYSA-N 0 1 215.300 2.316 20 0 BEADMN CCc1ncc(CN(CC)CCSC)cn1 ZINC000592528411 347795604 /nfs/dbraw/zinc/79/56/04/347795604.db2.gz ITTMKVDILPHOFT-UHFFFAOYSA-N 0 1 239.388 2.224 20 0 BEADMN CC(C)CN(C)[C@H](C)C(=O)Nc1nccs1 ZINC000049442310 323160559 /nfs/dbraw/zinc/16/05/59/323160559.db2.gz VIZVUGWEUDQLQG-SECBINFHSA-N 0 1 241.360 2.058 20 0 BEADMN CCCN(C)CC(=O)N1CCc2c1cccc2C ZINC000592859108 347825740 /nfs/dbraw/zinc/82/57/40/347825740.db2.gz LYVALCYPLBZNKE-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN CC[C@@H]1CCCN(Cc2nnc(C)n2C)CC1 ZINC000117342930 347825845 /nfs/dbraw/zinc/82/58/45/347825845.db2.gz COCFOWFUPDJPFH-GFCCVEGCSA-N 0 1 236.363 2.136 20 0 BEADMN CC1(CNCc2ncc(C(F)(F)F)cn2)CC1 ZINC000577339606 365927660 /nfs/dbraw/zinc/92/76/60/365927660.db2.gz DUDUWTXKNWVEMO-UHFFFAOYSA-N 0 1 245.248 2.385 20 0 BEADMN CCCCOCCN1C[C@@H](C)O[C@H](CC)C1 ZINC000111694504 323162885 /nfs/dbraw/zinc/16/28/85/323162885.db2.gz SFFALNVMHUTSPL-CHWSQXEVSA-N 0 1 229.364 2.302 20 0 BEADMN CCCCOCCN1C[C@@H](CC)O[C@@H](C)C1 ZINC000111694502 323162891 /nfs/dbraw/zinc/16/28/91/323162891.db2.gz SFFALNVMHUTSPL-QWHCGFSZSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000075842494 179299385 /nfs/dbraw/zinc/29/93/85/179299385.db2.gz ZSEYXSIEPWSFKI-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN Cc1ccccc1OCCCNCc1ncc[nH]1 ZINC000066594222 179309114 /nfs/dbraw/zinc/30/91/14/179309114.db2.gz RXGNWCBKGXAXKN-UHFFFAOYSA-N 0 1 245.326 2.277 20 0 BEADMN FC(F)c1noc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000577386145 365941582 /nfs/dbraw/zinc/94/15/82/365941582.db2.gz QVLQVOPYQWDDJG-CSMHCCOUSA-N 0 1 243.257 2.285 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)Cc1nnc[nH]1 ZINC000178490643 179317665 /nfs/dbraw/zinc/31/76/65/179317665.db2.gz LRLJVWYGZBYVHF-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)[O-] ZINC000082717634 179317908 /nfs/dbraw/zinc/31/79/08/179317908.db2.gz GXDUIDGODJAGSO-SNVBAGLBSA-N 0 1 207.273 2.072 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)CC(=O)NC1CC1 ZINC000124099778 179318933 /nfs/dbraw/zinc/31/89/33/179318933.db2.gz GXEJJTAAOVJAJO-GFCCVEGCSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccccc1[C@@H]1CN(C[C@@H](C)O)[C@H](C)CO1 ZINC000192728552 179329609 /nfs/dbraw/zinc/32/96/09/179329609.db2.gz RXBJPDNUROMTED-NFAWXSAZSA-N 0 1 249.354 2.138 20 0 BEADMN CCC[C@H](C)CC(=O)NCc1cc(C)[nH]n1 ZINC000603485690 349978969 /nfs/dbraw/zinc/97/89/69/349978969.db2.gz IVJGSQPBPLLJIJ-VIFPVBQESA-N 0 1 223.320 2.161 20 0 BEADMN Cc1ccccc1[C@H](C)NCN1CCC(=O)CC1 ZINC000273067799 179337224 /nfs/dbraw/zinc/33/72/24/179337224.db2.gz KERGYURMJNRUKW-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)cc(C)c2)n[nH]1 ZINC000603485655 349979192 /nfs/dbraw/zinc/97/91/92/349979192.db2.gz KWKAHNSZDCTLRX-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC000603484555 349978199 /nfs/dbraw/zinc/97/81/99/349978199.db2.gz IANJOBVCOMXJSI-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1ccccc1[C@@]1(F)CCN(C[C@@H](C)O)C1 ZINC000334269059 179332615 /nfs/dbraw/zinc/33/26/15/179332615.db2.gz QEGSQWADKVOGBG-TZMCWYRMSA-N 0 1 237.318 2.246 20 0 BEADMN CC(C)SCCN[C@H]1CCCn2ccnc21 ZINC000594525274 348069688 /nfs/dbraw/zinc/06/96/88/348069688.db2.gz UNCKMMZUYGLSGW-NSHDSACASA-N 0 1 239.388 2.449 20 0 BEADMN CCc1ccc(C(=O)NCc2cc(C)[nH]n2)cc1 ZINC000603489182 349981577 /nfs/dbraw/zinc/98/15/77/349981577.db2.gz QUVUXOMTSUIFJA-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000295218846 179341991 /nfs/dbraw/zinc/34/19/91/179341991.db2.gz QSRKDJHOHKPBLW-OSMZGAPFSA-N 0 1 246.354 2.252 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC(C)(C)C ZINC000296431772 179342026 /nfs/dbraw/zinc/34/20/26/179342026.db2.gz NFHWOGCWNNYFOS-LBPRGKRZSA-N 0 1 234.343 2.157 20 0 BEADMN CC=C(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000372777169 187386509 /nfs/dbraw/zinc/38/65/09/187386509.db2.gz UEFFSAVZDAKHGY-DKSFEKEHSA-N 0 1 233.315 2.260 20 0 BEADMN COC(=O)c1ccc2c(c1)CN(C[C@H]1C[C@@H]1C)C2 ZINC000617099104 348085495 /nfs/dbraw/zinc/08/54/95/348085495.db2.gz UFRLKDQWGQIEQX-GXFFZTMASA-N 0 1 245.322 2.445 20 0 BEADMN CCc1nc([C@@H](C)[S@@](=O)CCC(C)C)n[nH]1 ZINC000594664197 348094458 /nfs/dbraw/zinc/09/44/58/348094458.db2.gz LCSKBOLJOBBCDR-ABKXIKBNSA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)C[C@H](C)CC)n[nH]1 ZINC000594667670 348096167 /nfs/dbraw/zinc/09/61/67/348096167.db2.gz YTQZFLKKKJGHOS-GLSBUQGYSA-N 0 1 243.376 2.223 20 0 BEADMN CCc1nc([C@@H](C)SCCC(C)(C)O)n[nH]1 ZINC000594904204 348135314 /nfs/dbraw/zinc/13/53/14/348135314.db2.gz COIJWPKWACMUCI-MRVPVSSYSA-N 0 1 243.376 2.322 20 0 BEADMN CN(Cc1ccccc1F)C[C@@H](O)C1CC1 ZINC000068908886 490135708 /nfs/dbraw/zinc/13/57/08/490135708.db2.gz SXVMKKWZBGUNAU-CYBMUJFWSA-N 0 1 223.291 2.028 20 0 BEADMN CCCN(CCC=C(C)C)CC(=O)OC ZINC000595292935 348214623 /nfs/dbraw/zinc/21/46/23/348214623.db2.gz GBZHDWBSMKNEGW-UHFFFAOYSA-N 0 1 213.321 2.228 20 0 BEADMN CCOC(=O)CN(C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000595309533 348223790 /nfs/dbraw/zinc/22/37/90/348223790.db2.gz WAEDCVWBLILLPO-ZSBIGDGJSA-N 0 1 237.343 2.060 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000308795464 323178168 /nfs/dbraw/zinc/17/81/68/323178168.db2.gz KBKYAULJIFYULI-JTQLQIEISA-N 0 1 231.361 2.067 20 0 BEADMN COC(=O)CN(C)C[C@@H]1CCCCC1(C)C ZINC000595285897 348212236 /nfs/dbraw/zinc/21/22/36/348212236.db2.gz BDLRNDKGRBYNLZ-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cc(OC)no1 ZINC000595424278 348246034 /nfs/dbraw/zinc/24/60/34/348246034.db2.gz VMSCHTWQQPAFPF-VIFPVBQESA-N 0 1 244.360 2.257 20 0 BEADMN CC[C@H](C)[C@H](NCC1CC=CC1)C(=O)OC ZINC000595429957 348248331 /nfs/dbraw/zinc/24/83/31/348248331.db2.gz QHIHZRUWDMKSIH-JQWIXIFHSA-N 0 1 225.332 2.130 20 0 BEADMN CCC(CC)(NC[C@@H]1C[C@H]2C[C@H]2C1)C(=O)OC ZINC000595435472 348249570 /nfs/dbraw/zinc/24/95/70/348249570.db2.gz GCZHYWKEBWHLKN-ZSBIGDGJSA-N 0 1 239.359 2.354 20 0 BEADMN CCC(CC)(NCC1CC=CC1)C(=O)OC ZINC000595435777 348250489 /nfs/dbraw/zinc/25/04/89/348250489.db2.gz JALJKFINOMDITA-UHFFFAOYSA-N 0 1 225.332 2.274 20 0 BEADMN Cc1cccnc1CNCc1cccn1C ZINC000070907347 179381775 /nfs/dbraw/zinc/38/17/75/179381775.db2.gz BEDJTLORDVGGDK-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CC(C)=CCCN1CC[S@@](=O)C[C@H](C)C1 ZINC000595457539 348255499 /nfs/dbraw/zinc/25/54/99/348255499.db2.gz BMBBMEGAOJOVTO-IUODEOHRSA-N 0 1 229.389 2.043 20 0 BEADMN C[C@H]1CCN(CCCC2CCC2)CC[S@]1=O ZINC000595458594 348256073 /nfs/dbraw/zinc/25/60/73/348256073.db2.gz IXZCWVZMDQQOHC-BLLLJJGKSA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)=CCCN1CC[S@](=O)C[C@@H](C)C1 ZINC000595457730 348256099 /nfs/dbraw/zinc/25/60/99/348256099.db2.gz BMBBMEGAOJOVTO-WFASDCNBSA-N 0 1 229.389 2.043 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1cn(C)cn1 ZINC000595375671 348232399 /nfs/dbraw/zinc/23/23/99/348232399.db2.gz BWSCHKJGIAFNMK-LLVKDONJSA-N 0 1 241.404 2.384 20 0 BEADMN CC[C@@H](CN[C@H](COC)c1ccc(C)o1)OC ZINC000419245237 192114826 /nfs/dbraw/zinc/11/48/26/192114826.db2.gz LGGNGMDPHQVPGP-NWDGAFQWSA-N 0 1 241.331 2.290 20 0 BEADMN CS[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000595512401 348266731 /nfs/dbraw/zinc/26/67/31/348266731.db2.gz YBUVLEVMSCOCIT-NSHDSACASA-N 0 1 238.356 2.489 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H](N)c1ccccc1 ZINC000037265162 187392310 /nfs/dbraw/zinc/39/23/10/187392310.db2.gz GKQCIADRAHXMJH-DGCLKSJQSA-N 0 1 234.343 2.237 20 0 BEADMN COC(=O)c1coc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595566165 348282683 /nfs/dbraw/zinc/28/26/83/348282683.db2.gz LXIACXSACZEZTM-GWCFXTLKSA-N 0 1 249.310 2.441 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@@H]1CC1(C)C ZINC000419312214 192120566 /nfs/dbraw/zinc/12/05/66/192120566.db2.gz JRCYXYPXMOGAHG-QWRGUYRKSA-N 0 1 249.358 2.400 20 0 BEADMN COC(=O)CN(CCCF)C1CCCCC1 ZINC000595669338 348303031 /nfs/dbraw/zinc/30/30/31/348303031.db2.gz VFZMSPIDXBONMO-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN Cc1cccnc1NC(=O)c1c(O)cccc1F ZINC000119890227 179394050 /nfs/dbraw/zinc/39/40/50/179394050.db2.gz KDXDXMQXQAHZJD-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@H]2C[C@H]2C1 ZINC000595808292 348349026 /nfs/dbraw/zinc/34/90/26/348349026.db2.gz CMBUKYYESYKGHI-SDDRHHMPSA-N 0 1 225.332 2.060 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@H]2C[C@H]2C1 ZINC000595810541 348349969 /nfs/dbraw/zinc/34/99/69/348349969.db2.gz LUJDRWTVWXDEGX-SDDRHHMPSA-N 0 1 239.359 2.449 20 0 BEADMN COC(=O)c1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000595811120 348350433 /nfs/dbraw/zinc/35/04/33/348350433.db2.gz STNOWGDHEYXYKP-DGCLKSJQSA-N 0 1 245.322 2.315 20 0 BEADMN CC[C@@H](CN[C@@H](C)c1c(F)cncc1F)OC ZINC000419283997 192123565 /nfs/dbraw/zinc/12/35/65/192123565.db2.gz SJNPQEMSRVQMES-IUCAKERBSA-N 0 1 244.285 2.435 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1N[C@@H](C(N)=O)c1ccccc1 ZINC000419329917 192123797 /nfs/dbraw/zinc/12/37/97/192123797.db2.gz PFFDXVUBADEJNP-NFAWXSAZSA-N 0 1 246.354 2.237 20 0 BEADMN COCCCCN(C)[C@H](C)c1ncc(C)o1 ZINC000419392909 192130657 /nfs/dbraw/zinc/13/06/57/192130657.db2.gz SPVNFIQBQONECB-LLVKDONJSA-N 0 1 226.320 2.402 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nc(C3CC3)no2)[C@H]1C ZINC000419399480 192130814 /nfs/dbraw/zinc/13/08/14/192130814.db2.gz YZYDYQSWCLLXKK-BBBLOLIVSA-N 0 1 235.331 2.423 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc2n1CCCC2 ZINC000419364599 192128367 /nfs/dbraw/zinc/12/83/67/192128367.db2.gz WTNAKRXIDJDHCY-GRYCIOLGSA-N 0 1 248.374 2.091 20 0 BEADMN CCN(C[C@@H]1CCCO1)[C@@H](C)c1cnccn1 ZINC000274313530 538006157 /nfs/dbraw/zinc/00/61/57/538006157.db2.gz GOSJCIWZTFSMPL-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN Cc1ccnc(NCCc2cccnc2)c1 ZINC000043561505 179445251 /nfs/dbraw/zinc/44/52/51/179445251.db2.gz KGXLVBOUODJWGT-UHFFFAOYSA-N 0 1 213.284 2.440 20 0 BEADMN COC(=O)C1(COc2cc(C)nc(C)c2)CC1 ZINC000596260582 348477667 /nfs/dbraw/zinc/47/76/67/348477667.db2.gz KZVJIUONPPARCR-UHFFFAOYSA-N 0 1 235.283 2.030 20 0 BEADMN C[C@H](N(C)Cc1ccn(C)n1)C(C)(C)C ZINC000535827172 323192869 /nfs/dbraw/zinc/19/28/69/323192869.db2.gz DGHUQGIAFVINHM-JTQLQIEISA-N 0 1 209.337 2.287 20 0 BEADMN COC(=O)c1oc(CN2CC(C3CC3)C2)cc1C ZINC000597132893 348660403 /nfs/dbraw/zinc/66/04/03/348660403.db2.gz NBWVNVVXZBYOTM-UHFFFAOYSA-N 0 1 249.310 2.216 20 0 BEADMN Cc1cnc(CNC[C@@H](C)C(F)(F)F)n1C ZINC000309549208 179604428 /nfs/dbraw/zinc/60/44/28/179604428.db2.gz HPFRUYMWVNKEDK-SSDOTTSWSA-N 0 1 235.253 2.017 20 0 BEADMN Cc1cnc(CN[C@H]2CCOC2(C)C)s1 ZINC000294797527 179612207 /nfs/dbraw/zinc/61/22/07/179612207.db2.gz OURHXKNTBLDMDQ-VIFPVBQESA-N 0 1 226.345 2.109 20 0 BEADMN COC(=O)c1ccc(CNCCF)cc1Cl ZINC000597124265 348664420 /nfs/dbraw/zinc/66/44/20/348664420.db2.gz PKMLYLUIKLIUKQ-UHFFFAOYSA-N 0 1 245.681 2.186 20 0 BEADMN CC(C)OC1CCN(Cc2cccnc2)CC1 ZINC000531402715 348626504 /nfs/dbraw/zinc/62/65/04/348626504.db2.gz HSMPMGQBVLKMET-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN CSC1(CN(C)Cc2c[nH]cn2)CCC1 ZINC000597171265 348668493 /nfs/dbraw/zinc/66/84/93/348668493.db2.gz HSDMEKBVYLEGMO-UHFFFAOYSA-N 0 1 225.361 2.127 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2cscn2)C1(C)C ZINC000082784223 348725877 /nfs/dbraw/zinc/72/58/77/348725877.db2.gz XWJGOWDGVLVSBY-MNOVXSKESA-N 0 1 240.372 2.436 20 0 BEADMN COC(=O)c1coc(CNCC2=CCCC2)c1 ZINC000597224570 348694653 /nfs/dbraw/zinc/69/46/53/348694653.db2.gz KXVWVUNJELWEIM-UHFFFAOYSA-N 0 1 235.283 2.266 20 0 BEADMN C[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000207911156 348833850 /nfs/dbraw/zinc/83/38/50/348833850.db2.gz YJIAYLBLXCAVTM-SKDRFNHKSA-N 0 1 237.274 2.436 20 0 BEADMN c1cc2[nH]nnc2c(NC[C@H]2CCSC2)c1 ZINC000623051441 348914534 /nfs/dbraw/zinc/91/45/34/348914534.db2.gz AMUSOTXNAAJPOW-MRVPVSSYSA-N 0 1 234.328 2.123 20 0 BEADMN COc1ccc(Sc2nccnc2CN)cc1 ZINC000054378809 1172111707 /nfs/dbraw/zinc/11/17/07/1172111707.db2.gz MDIXXSXFBCUGGO-UHFFFAOYSA-N 0 1 247.323 2.095 20 0 BEADMN NCc1nccnc1SCc1ccccc1 ZINC000054378792 1172110623 /nfs/dbraw/zinc/11/06/23/1172110623.db2.gz NEYVVTVJKFCSGZ-UHFFFAOYSA-N 0 1 231.324 2.228 20 0 BEADMN CC[C@@H]1CC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759052 349149264 /nfs/dbraw/zinc/14/92/64/349149264.db2.gz QHOMXFSGHQVYCT-GHMZBOCLSA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248759052 349149267 /nfs/dbraw/zinc/14/92/67/349149267.db2.gz QHOMXFSGHQVYCT-GHMZBOCLSA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1ccncc1 ZINC000298283365 538026762 /nfs/dbraw/zinc/02/67/62/538026762.db2.gz OFQIVBMFALTBGN-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN COC(=O)CN(CC1CC(C)(C)C1)C(C)C ZINC000599315686 349146145 /nfs/dbraw/zinc/14/61/45/349146145.db2.gz PRCFMKHOOGDSGK-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN NCc1nccnc1Oc1ccc2c(c1)CCC2 ZINC000054378559 1172112865 /nfs/dbraw/zinc/11/28/65/1172112865.db2.gz QNYBISHJKAGKKH-UHFFFAOYSA-N 0 1 241.294 2.216 20 0 BEADMN COC(=O)C1(N(C[C@@H]2C[C@@H]2C)C2CC2)CCC1 ZINC000599438388 349177142 /nfs/dbraw/zinc/17/71/42/349177142.db2.gz XPMOFJYBMHBJIG-QWRGUYRKSA-N 0 1 237.343 2.203 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000250859545 349180617 /nfs/dbraw/zinc/18/06/17/349180617.db2.gz RQVDCIULUHXPCB-OCCSQVGLSA-N 0 1 245.322 2.265 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnn(C)c2)cc(C)n1 ZINC000421881570 192399475 /nfs/dbraw/zinc/39/94/75/192399475.db2.gz OYYKEBDHAHEANV-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251839501 349192546 /nfs/dbraw/zinc/19/25/46/349192546.db2.gz LFWGZDDFNJPRGL-CBAPKCEASA-N 0 1 239.237 2.124 20 0 BEADMN CCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000599344108 349153741 /nfs/dbraw/zinc/15/37/41/349153741.db2.gz DVYQRCXJLNUXIL-UHFFFAOYSA-N 0 1 237.690 2.243 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000599320345 349154979 /nfs/dbraw/zinc/15/49/79/349154979.db2.gz OCIUWBKZQGBJCY-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000599320343 349155210 /nfs/dbraw/zinc/15/52/10/349155210.db2.gz OCIUWBKZQGBJCY-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000599320341 349155358 /nfs/dbraw/zinc/15/53/58/349155358.db2.gz OCIUWBKZQGBJCY-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN COC(=O)c1ccc(CN(C2CC2)C2CC2)o1 ZINC000599595554 349222521 /nfs/dbraw/zinc/22/25/21/349222521.db2.gz VVIRBYDZXGXESR-UHFFFAOYSA-N 0 1 235.283 2.193 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000253078536 349225883 /nfs/dbraw/zinc/22/58/83/349225883.db2.gz TVDLWEDQNSGPRY-NXEZZACHSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000253062882 349226267 /nfs/dbraw/zinc/22/62/67/349226267.db2.gz GFGSHFCUUYEMAE-NXEZZACHSA-N 0 1 237.299 2.456 20 0 BEADMN O=C([O-])C[N@@H+](CCC(F)(F)F)C1CCCC1 ZINC000070914564 490248637 /nfs/dbraw/zinc/24/86/37/490248637.db2.gz VYHWNBBVHXDAIR-UHFFFAOYSA-N 0 1 239.237 2.268 20 0 BEADMN C/C=C/C[C@@H]1CCCN([C@@H](C)C(=O)OC)C1 ZINC000599693302 349246292 /nfs/dbraw/zinc/24/62/92/349246292.db2.gz ZMADHYCXEBBTKF-RUULKOMLSA-N 0 1 225.332 2.226 20 0 BEADMN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)OC)C1 ZINC000599693303 349246727 /nfs/dbraw/zinc/24/67/27/349246727.db2.gz ZMADHYCXEBBTKF-XLMCQVRKSA-N 0 1 225.332 2.226 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCc2cc[nH]n2)CS1 ZINC000308998679 349267788 /nfs/dbraw/zinc/26/77/88/349267788.db2.gz NHSNAXNXSAKKFZ-MNOVXSKESA-N 0 1 225.361 2.029 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2cc[nH]n2)CS1 ZINC000308998682 349267932 /nfs/dbraw/zinc/26/79/32/349267932.db2.gz NHSNAXNXSAKKFZ-WDEREUQCSA-N 0 1 225.361 2.029 20 0 BEADMN CCc1nc(CN[C@@H](C)c2cccs2)n[nH]1 ZINC000184686232 349282838 /nfs/dbraw/zinc/28/28/38/349282838.db2.gz RKFNCUDQJOAQPH-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN COc1ccccc1CNCC1(F)CC1 ZINC000309080434 323226075 /nfs/dbraw/zinc/22/60/75/323226075.db2.gz OVTTXWBTDQPJEX-UHFFFAOYSA-N 0 1 209.264 2.287 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)c2cn[nH]c2)s1 ZINC000229884949 179913326 /nfs/dbraw/zinc/91/33/26/179913326.db2.gz BGNRVKWFYGIFKY-ZETCQYMHSA-N 0 1 236.344 2.334 20 0 BEADMN CS[C@@H]1CCC[C@H](NCc2ccon2)C1 ZINC000602005400 349411622 /nfs/dbraw/zinc/41/16/22/349411622.db2.gz IIHUOPDBBJFECY-GXSJLCMTSA-N 0 1 226.345 2.438 20 0 BEADMN CSCCCCCNCc1ccon1 ZINC000602017496 349417877 /nfs/dbraw/zinc/41/78/77/349417877.db2.gz NURHZIUQLLDPAQ-UHFFFAOYSA-N 0 1 214.334 2.298 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000302370312 350083593 /nfs/dbraw/zinc/08/35/93/350083593.db2.gz ZAIXBJWGBSWKKH-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])CC1CCC1 ZINC000070652428 350039315 /nfs/dbraw/zinc/03/93/15/350039315.db2.gz SUFLTEJPLQTVFV-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])Cc1ccco1 ZINC000070652398 350039365 /nfs/dbraw/zinc/03/93/65/350039365.db2.gz WBUATOUSVZNYFY-UHFFFAOYSA-N 0 1 225.288 2.356 20 0 BEADMN Cc1nc(CN[C@H]2CCOC2(C)C)sc1C ZINC000335919856 179974623 /nfs/dbraw/zinc/97/46/23/179974623.db2.gz OHRLHOVOYSBPNU-JTQLQIEISA-N 0 1 240.372 2.417 20 0 BEADMN CCNC(=O)CN1CCc2ccccc2[C@H]1CC ZINC000603967944 350060978 /nfs/dbraw/zinc/06/09/78/350060978.db2.gz JGTGAYVCQYSVEZ-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN CN(CCC(=O)OC(C)(C)C)Cc1ccco1 ZINC000042122159 323242490 /nfs/dbraw/zinc/24/24/90/323242490.db2.gz CAESIYBGRFYVKX-UHFFFAOYSA-N 0 1 239.315 2.443 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCCC(C)(C)C2)[nH]1 ZINC000178868583 180011064 /nfs/dbraw/zinc/01/10/64/180011064.db2.gz BGHBPECENXZXCD-SECBINFHSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)CC2CCCC2)[nH]1 ZINC000114328927 180011689 /nfs/dbraw/zinc/01/16/89/180011689.db2.gz OJJYGQQDLHVTEK-MRVPVSSYSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)c2cc(C)c(C)s2)[nH]1 ZINC000103255665 180013269 /nfs/dbraw/zinc/01/32/69/180013269.db2.gz DXNXZVXAADJKEQ-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc(C)c(C)s2)n1 ZINC000103255665 180013270 /nfs/dbraw/zinc/01/32/70/180013270.db2.gz DXNXZVXAADJKEQ-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN Cc1nc([C@@H](C)N2Cc3ccccc3C2)n[nH]1 ZINC000336281884 180034580 /nfs/dbraw/zinc/03/45/80/180034580.db2.gz OPZFDJQUQRVWCQ-SECBINFHSA-N 0 1 228.299 2.190 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H](O)C(C)C)cs1 ZINC000158858885 180036770 /nfs/dbraw/zinc/03/67/70/180036770.db2.gz WRAROSRIAOILKX-KCJUWKMLSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1nc([C@@H](C)NC[C@H]2CCC[N@H+]2C)cs1 ZINC000227589985 180037222 /nfs/dbraw/zinc/03/72/22/180037222.db2.gz ZSTLUOTZQMJISO-MWLCHTKSSA-N 0 1 239.388 2.196 20 0 BEADMN CC(C)SCC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000309170104 350115309 /nfs/dbraw/zinc/11/53/09/350115309.db2.gz NGBZFFBLCRNNHP-GFCCVEGCSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1nc([C@H](C)NCCC2(O)CCC2)cs1 ZINC000284402087 180048894 /nfs/dbraw/zinc/04/88/94/180048894.db2.gz PUKGEURJVBSORX-VIFPVBQESA-N 0 1 240.372 2.407 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H](CO)C2CC2)cs1 ZINC000309606116 180049930 /nfs/dbraw/zinc/04/99/30/180049930.db2.gz YRDJTRYAZJPEJU-KWQFWETISA-N 0 1 240.372 2.121 20 0 BEADMN Cc1nc2cccc(C(=O)NC[C@H]3C[C@H]3C)c2[nH]1 ZINC000283509246 180062710 /nfs/dbraw/zinc/06/27/10/180062710.db2.gz PRFUTLYAJUZBKE-PSASIEDQSA-N 0 1 243.310 2.257 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@@H]1CC12CCC2 ZINC001639572257 1172118640 /nfs/dbraw/zinc/11/86/40/1172118640.db2.gz FLCDBYJTCGSICY-LBPRGKRZSA-N 0 1 241.294 2.463 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304182306 350147317 /nfs/dbraw/zinc/14/73/17/350147317.db2.gz MTLBNYQWZQYEQX-OPRDCNLKSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304182307 350147465 /nfs/dbraw/zinc/14/74/65/350147465.db2.gz MTLBNYQWZQYEQX-UTLUCORTSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304182304 350147722 /nfs/dbraw/zinc/14/77/22/350147722.db2.gz MTLBNYQWZQYEQX-BBBLOLIVSA-N 0 1 247.285 2.217 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304629445 350158892 /nfs/dbraw/zinc/15/88/92/350158892.db2.gz QKQYEJPJHZJUGM-BDAKNGLRSA-N 0 1 238.287 2.136 20 0 BEADMN Cc1nc2cccc(C(=O)NCC[C@@H](C)F)c2[nH]1 ZINC000356680422 180100350 /nfs/dbraw/zinc/10/03/50/180100350.db2.gz JGUQCXJNGNYMTF-MRVPVSSYSA-N 0 1 249.289 2.349 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1cnc(C)s1 ZINC000290466359 180139446 /nfs/dbraw/zinc/13/94/46/180139446.db2.gz PVXZGDKLLOPMRL-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cc1ncc(CN(CCCCO)C2CC2)s1 ZINC000304350744 180139905 /nfs/dbraw/zinc/13/99/05/180139905.db2.gz MSUAGBMERRPHDN-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1ncc(CN2CCCO[C@H](C)C2)s1 ZINC000170764559 180142353 /nfs/dbraw/zinc/14/23/53/180142353.db2.gz KXRHCYRFXONHMU-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncc(CNCc2cnccc2C)s1 ZINC000135455851 180155135 /nfs/dbraw/zinc/15/51/35/180155135.db2.gz CYMVYIVXOQNCSS-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN COc1ccncc1CN1[C@H](C)C[C@@H]1C ZINC000334336951 538067285 /nfs/dbraw/zinc/06/72/85/538067285.db2.gz ULMNFDOLCAJCQA-AOOOYVTPSA-N 0 1 206.289 2.073 20 0 BEADMN Cc1ncc([C@@H](C)NCc2cccnc2)c(C)n1 ZINC000151084233 180171074 /nfs/dbraw/zinc/17/10/74/180171074.db2.gz GWWDINNBBXZTHH-SNVBAGLBSA-N 0 1 242.326 2.339 20 0 BEADMN Cc1ncc(CN2CC[C@H](n3cccn3)C2)s1 ZINC000291155921 180146481 /nfs/dbraw/zinc/14/64/81/180146481.db2.gz BWKGPYJDSQSOTP-NSHDSACASA-N 0 1 248.355 2.095 20 0 BEADMN CCOCCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000604772057 350186342 /nfs/dbraw/zinc/18/63/42/350186342.db2.gz VRCDESXUILOZHZ-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000604773723 350186483 /nfs/dbraw/zinc/18/64/83/350186483.db2.gz AIWVDJHENZNESU-DGCLKSJQSA-N 0 1 249.310 2.003 20 0 BEADMN CC(C)c1nc(C[S@@](=O)[C@H](C)C(C)C)n[nH]1 ZINC000427467650 191076536 /nfs/dbraw/zinc/07/65/36/191076536.db2.gz UORPKKKOPOZSKA-JDNHERCYSA-N 0 1 243.376 2.221 20 0 BEADMN Cc1nccc(N2C[C@H](O)C[C@@H]2C)c1Cl ZINC000334307675 180193862 /nfs/dbraw/zinc/19/38/62/180193862.db2.gz DZAASFNTWUTYBB-IONNQARKSA-N 0 1 226.707 2.003 20 0 BEADMN Cc1ncc2c(n1)CCN(CC1(C)CCC1)C2 ZINC000336233280 180178620 /nfs/dbraw/zinc/17/86/20/180178620.db2.gz WITPBFLNOZXWEA-UHFFFAOYSA-N 0 1 231.343 2.333 20 0 BEADMN Cc1nccc(CN2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000335983627 180186758 /nfs/dbraw/zinc/18/67/58/180186758.db2.gz GCGHIFVCBLGQEH-AOOOYVTPSA-N 0 1 237.372 2.111 20 0 BEADMN O=C1CCCC[C@H]1Sc1nc(C2CC2)n[nH]1 ZINC000023204248 350258908 /nfs/dbraw/zinc/25/89/08/350258908.db2.gz QVABIKVKSWUTRC-SECBINFHSA-N 0 1 237.328 2.286 20 0 BEADMN O=C1CCCC[C@H]1Sc1n[nH]c(C2CC2)n1 ZINC000023204248 350258910 /nfs/dbraw/zinc/25/89/10/350258910.db2.gz QVABIKVKSWUTRC-SECBINFHSA-N 0 1 237.328 2.286 20 0 BEADMN O=C(c1ccn[nH]1)N(Cc1cccs1)C1CC1 ZINC000049652155 350248188 /nfs/dbraw/zinc/24/81/88/350248188.db2.gz OMAUJUHNZPXNFY-UHFFFAOYSA-N 0 1 247.323 2.276 20 0 BEADMN CCCCN(CCCC)C(=O)c1ccn[nH]1 ZINC000049653219 350249322 /nfs/dbraw/zinc/24/93/22/350249322.db2.gz GBEHKHIJTHJGCW-UHFFFAOYSA-N 0 1 223.320 2.452 20 0 BEADMN C=C(CC)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000309097286 323316991 /nfs/dbraw/zinc/31/69/91/323316991.db2.gz HIRMCEAIHXDDQI-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN CCc1nnc(NC(=O)CC[C@@H](C)CC)[nH]1 ZINC000354062977 350279519 /nfs/dbraw/zinc/27/95/19/350279519.db2.gz FPPNTVPZJKKDMS-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)CC[C@@H](C)CC)n1 ZINC000354062977 350279522 /nfs/dbraw/zinc/27/95/22/350279522.db2.gz FPPNTVPZJKKDMS-QMMMGPOBSA-N 0 1 224.308 2.132 20 0 BEADMN CCc1nc(C[N@H+](CC)CCC(=O)[O-])cs1 ZINC000038024524 350299592 /nfs/dbraw/zinc/29/95/92/350299592.db2.gz BWZDXGVWFRNNES-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CCc1nc(C[N@@H+](CC)CCC(=O)[O-])cs1 ZINC000038024524 350299594 /nfs/dbraw/zinc/29/95/94/350299594.db2.gz BWZDXGVWFRNNES-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CCCN(CCC)C(=O)[C@H]1CCCCN1C ZINC000606344896 350314784 /nfs/dbraw/zinc/31/47/84/350314784.db2.gz XATGMCGBCYRTIF-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)c2ccsc2)n[nH]1 ZINC000606372167 350320013 /nfs/dbraw/zinc/32/00/13/350320013.db2.gz DEOXAWDCBUAQDK-SECBINFHSA-N 0 1 249.339 2.200 20 0 BEADMN Cc1cc(CNC(=O)CCC(C)(C)C)n[nH]1 ZINC000606372320 350321405 /nfs/dbraw/zinc/32/14/05/350321405.db2.gz QKWOPUPFJGEVJC-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN Cc1ncsc1CN(C)CCOC1CCC1 ZINC000286687883 180312255 /nfs/dbraw/zinc/31/22/55/180312255.db2.gz BJDPEMXRZIIIDZ-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncsc1CN(C)CCOCC1CC1 ZINC000119547806 180312983 /nfs/dbraw/zinc/31/29/83/180312983.db2.gz FGCUZMVXJNNKQL-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426520444 191096476 /nfs/dbraw/zinc/09/64/76/191096476.db2.gz FDFGVMHAVLYSQN-QWHCGFSZSA-N 0 1 248.374 2.371 20 0 BEADMN Cc1ncsc1CN1CCCO[C@H](C)C1 ZINC000179401011 180315834 /nfs/dbraw/zinc/31/58/34/180315834.db2.gz WWGJBOSHYFZBPO-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncsc1CN1CCS[C@H](C)C1 ZINC000271167602 180315581 /nfs/dbraw/zinc/31/55/81/180315581.db2.gz TUNDPVSNWGMYPT-MRVPVSSYSA-N 0 1 228.386 2.389 20 0 BEADMN Cc1ncsc1CN[C@@H](CO)c1ccccc1 ZINC000088869989 180322531 /nfs/dbraw/zinc/32/25/31/180322531.db2.gz LLRXWTFMCIDRKL-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccncc1 ZINC000020121678 180342253 /nfs/dbraw/zinc/34/22/53/180342253.db2.gz NNZNOIBUZDICDE-SNVBAGLBSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1nn(C)c(Cl)c1CNC1CC(F)(F)C1 ZINC000277591871 180351577 /nfs/dbraw/zinc/35/15/77/180351577.db2.gz HRXAJYFRWNPIQB-UHFFFAOYSA-N 0 1 249.692 2.269 20 0 BEADMN CCN(Cc1cc(C)n(C)n1)C1CCC1 ZINC000336647297 350417418 /nfs/dbraw/zinc/41/74/18/350417418.db2.gz LYZAMUIQUZYZRD-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN C[C@@H](O)[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000162770198 350424117 /nfs/dbraw/zinc/42/41/17/350424117.db2.gz MQRZAUNCBREPOP-MNOVXSKESA-N 0 1 246.310 2.031 20 0 BEADMN CCN(Cc1nccc(C)n1)CC1CCC1 ZINC000336661186 350429281 /nfs/dbraw/zinc/42/92/81/350429281.db2.gz FOADNCRHEIPEKY-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccncc1 ZINC000020121679 180340818 /nfs/dbraw/zinc/34/08/18/180340818.db2.gz NNZNOIBUZDICDE-JTQLQIEISA-N 0 1 244.342 2.283 20 0 BEADMN CC(C)CN(Cc1cnns1)C(C)C ZINC000336692464 350448414 /nfs/dbraw/zinc/44/84/14/350448414.db2.gz QKNSBSSATNQFBM-UHFFFAOYSA-N 0 1 213.350 2.405 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cncc(Cl)c2)C1 ZINC000621282262 350451635 /nfs/dbraw/zinc/45/16/35/350451635.db2.gz YYINCRZNCYNOOX-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CCc1cnc(CN(C)C[C@@H]2CCOC2)s1 ZINC000336696793 350451721 /nfs/dbraw/zinc/45/17/21/350451721.db2.gz GXQNBRAANLTJCQ-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN CCN(Cc1cnc(C)s1)[C@@H]1CCOC1 ZINC000336708874 350461399 /nfs/dbraw/zinc/46/13/99/350461399.db2.gz SIGUINZQSJLDSM-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CC[C@@H](O)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000336776058 350508729 /nfs/dbraw/zinc/50/87/29/350508729.db2.gz DOHSMHVNIGISAC-RKDXNWHRSA-N 0 1 240.372 2.053 20 0 BEADMN CCC1(C)CCN([C@@H](C)C(=O)OC)CC1 ZINC000060947111 350500456 /nfs/dbraw/zinc/50/04/56/350500456.db2.gz ZYVYJAPUAYLIRF-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CCC[C@H]1CO ZINC000428233093 191107537 /nfs/dbraw/zinc/10/75/37/191107537.db2.gz XOQWBRABIUWGCR-NSHDSACASA-N 0 1 238.331 2.063 20 0 BEADMN CC[C@H](N[C@@H](C)c1ccc(Cl)s1)C(N)=O ZINC000061676976 350525183 /nfs/dbraw/zinc/52/51/83/350525183.db2.gz ULQSFQKQNZXJFN-BQBZGAKWSA-N 0 1 246.763 2.316 20 0 BEADMN CC[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(N)=O ZINC000061676977 350525364 /nfs/dbraw/zinc/52/53/64/350525364.db2.gz ULQSFQKQNZXJFN-NKWVEPMBSA-N 0 1 246.763 2.316 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccc(Cl)o1 ZINC000530359357 323382294 /nfs/dbraw/zinc/38/22/94/323382294.db2.gz YEMWNIWAYDTTLX-LLVKDONJSA-N 0 1 229.707 2.280 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1cc[nH]c1 ZINC000080648380 490648057 /nfs/dbraw/zinc/64/80/57/490648057.db2.gz WOSFTJBUJCMLKF-MRVPVSSYSA-N 0 1 219.288 2.470 20 0 BEADMN CCCC[C@H](CC)CN1CC(=O)N(C)[C@@H](C)C1 ZINC000337436675 350585539 /nfs/dbraw/zinc/58/55/39/350585539.db2.gz CTCXCOPVTWJXJX-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCCC[C@@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000337540983 350593919 /nfs/dbraw/zinc/59/39/19/350593919.db2.gz YZXYETZVGUJTOG-MNOVXSKESA-N 0 1 249.358 2.210 20 0 BEADMN Clc1cnccc1CN[C@H]1CC12CC2 ZINC000623554503 362974226 /nfs/dbraw/zinc/97/42/26/362974226.db2.gz BSKKJZAKUMYENO-JTQLQIEISA-N 0 1 208.692 2.377 20 0 BEADMN CCc1csc(N2C[C@H](C)N(C)[C@@H](C)C2)n1 ZINC000338782450 350712059 /nfs/dbraw/zinc/71/20/59/350712059.db2.gz CXBNPWBGPMTFIV-UWVGGRQHSA-N 0 1 239.388 2.234 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1CCC(C)CC1 ZINC000096593432 350678812 /nfs/dbraw/zinc/67/88/12/350678812.db2.gz UOLUQLQSHPETRW-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCN(C)[C@H](CCC)C(=O)OCC ZINC000096731083 350683135 /nfs/dbraw/zinc/68/31/35/350683135.db2.gz FCDBWYLQBJGFBH-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cccnc1C ZINC000237352422 350749646 /nfs/dbraw/zinc/74/96/46/350749646.db2.gz LUEKDFSQSOPREJ-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CCCCOCc1nc(C2(N)CCCC2)no1 ZINC000339398779 350753575 /nfs/dbraw/zinc/75/35/75/350753575.db2.gz XJIVJDZGNAWJLG-UHFFFAOYSA-N 0 1 239.319 2.114 20 0 BEADMN CCCC[C@H](C(=O)OC)N1C[C@@H](C)[C@H]1C ZINC000339572565 350764911 /nfs/dbraw/zinc/76/49/11/350764911.db2.gz FQSNYWAWFFKDFR-GMTAPVOTSA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C)[C@H]1C ZINC000339572836 350765562 /nfs/dbraw/zinc/76/55/62/350765562.db2.gz YIFQTINDVVWWTA-YNEHKIRRSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000336390150 350774976 /nfs/dbraw/zinc/77/49/76/350774976.db2.gz HAWRMEXGBXUFHH-UHFFFAOYSA-N 0 1 235.262 2.088 20 0 BEADMN C/C=C/CNCc1cccc(OCC)n1 ZINC000623739045 350883534 /nfs/dbraw/zinc/88/35/34/350883534.db2.gz GPVULXMYHQSPRJ-HWKANZROSA-N 0 1 206.289 2.146 20 0 BEADMN C[C@H](CCC1CC1)NCc1ncccn1 ZINC000398097659 351005145 /nfs/dbraw/zinc/00/51/45/351005145.db2.gz RKNURERIDSJARC-SNVBAGLBSA-N 0 1 205.305 2.145 20 0 BEADMN CC(C)(C)n1cc(CN2CCC[C@H]2C2CC2)nn1 ZINC000364334181 191129427 /nfs/dbraw/zinc/12/94/27/191129427.db2.gz XGVWOTOJYOBYJM-ZDUSSCGKSA-N 0 1 248.374 2.408 20 0 BEADMN C/C=C\CNCc1cn2cc(C)ccc2n1 ZINC000623740382 351052116 /nfs/dbraw/zinc/05/21/16/351052116.db2.gz UNRBUXZXDCZPRF-ARJAWSKDSA-N 0 1 215.300 2.308 20 0 BEADMN C/C=C/CNCc1nc2c(s1)CCC2 ZINC000623740433 351052168 /nfs/dbraw/zinc/05/21/68/351052168.db2.gz WFZJCRNXAQCGDG-NSCUHMNNSA-N 0 1 208.330 2.298 20 0 BEADMN C/C=C/CNCc1c(C(F)(F)F)cnn1C ZINC000623740387 351052306 /nfs/dbraw/zinc/05/23/06/351052306.db2.gz UOVRADJXUFEDQK-ONEGZZNKSA-N 0 1 233.237 2.105 20 0 BEADMN CCN1CCN(Cc2cccc(F)c2F)CC1 ZINC000052916639 351078804 /nfs/dbraw/zinc/07/88/04/351078804.db2.gz PNBISKQLTPIAQQ-UHFFFAOYSA-N 0 1 240.297 2.102 20 0 BEADMN CC(C)[C@@H]1CC[C@@H]([NH2+]Cc2cnn[n-]2)C[C@H]1C ZINC000623577866 363009598 /nfs/dbraw/zinc/00/95/98/363009598.db2.gz JKCIJJODUJDQFY-WZRBSPASSA-N 0 1 236.363 2.355 20 0 BEADMN C[C@@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616648642 351176256 /nfs/dbraw/zinc/17/62/56/351176256.db2.gz TWTFMPDDGRJPAS-GFCCVEGCSA-N 0 1 205.301 2.297 20 0 BEADMN CC1(C)CCC[C@@H]([NH2+]Cc2cnn[n-]2)CC1 ZINC000398402729 351137280 /nfs/dbraw/zinc/13/72/80/351137280.db2.gz NJTLSPRFHOQRIA-SNVBAGLBSA-N 0 1 222.336 2.253 20 0 BEADMN CCN(Cc1ccccc1)C(=O)c1cnc(C)[nH]1 ZINC000264862881 351258641 /nfs/dbraw/zinc/25/86/41/351258641.db2.gz PNVLLCIDEUTISS-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CCC[C@@H](C)O2)o1 ZINC000628339684 351283897 /nfs/dbraw/zinc/28/38/97/351283897.db2.gz TVHUCPYPHNIXPR-SKDRFNHKSA-N 0 1 238.331 2.339 20 0 BEADMN CC1(C)CCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000267372127 351307979 /nfs/dbraw/zinc/30/79/79/351307979.db2.gz GDHNFNHJSLWXPW-LLVKDONJSA-N 0 1 247.342 2.207 20 0 BEADMN CO[C@H](CNCc1cnc(C)o1)C1CCCC1 ZINC000628351449 351313618 /nfs/dbraw/zinc/31/36/18/351313618.db2.gz FUEHXASEHBSWQL-CYBMUJFWSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1c[nH]c(CN(C)C[C@@H]2CC2(C)C)n1 ZINC000628353434 351318798 /nfs/dbraw/zinc/31/87/98/351318798.db2.gz WTTKTNOVDFWBAH-JTQLQIEISA-N 0 1 207.321 2.196 20 0 BEADMN CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000265590497 351271083 /nfs/dbraw/zinc/27/10/83/351271083.db2.gz TWNJBRKAJUSGGD-CYBMUJFWSA-N 0 1 248.370 2.279 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1cccc(Cl)c1O ZINC000265650299 351273603 /nfs/dbraw/zinc/27/36/03/351273603.db2.gz XFWJMEJRBMHSPY-SECBINFHSA-N 0 1 243.690 2.409 20 0 BEADMN CCc1nc(CN2CC[C@H](COC)C2)cs1 ZINC000265855417 351275889 /nfs/dbraw/zinc/27/58/89/351275889.db2.gz ZHEPCBKIVUKWJG-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN Clc1cnc(N2CCc3cnccc32)nc1 ZINC000362566592 180598618 /nfs/dbraw/zinc/59/86/18/180598618.db2.gz GZBVMTRDMBHAND-UHFFFAOYSA-N 0 1 232.674 2.219 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NCc1ccns1 ZINC000404481419 351478114 /nfs/dbraw/zinc/47/81/14/351478114.db2.gz GFNWQTLKFKUACY-NSHDSACASA-N 0 1 248.355 2.044 20 0 BEADMN CCN(Cc1cncc(F)c1)C[C@H]1CCCO1 ZINC000275117174 351593232 /nfs/dbraw/zinc/59/32/32/351593232.db2.gz ICBAVZYEXBCGJF-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1ccc(CNCc2c[nH]nn2)c(Cl)c1 ZINC000404576249 351554774 /nfs/dbraw/zinc/55/47/74/351554774.db2.gz LJVNOZPOGFNUJL-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN CCCN(CC)Cc1cnc(OC)s1 ZINC000637812829 351649755 /nfs/dbraw/zinc/64/97/55/351649755.db2.gz CWLLSJJEHPUZEU-UHFFFAOYSA-N 0 1 214.334 2.384 20 0 BEADMN CC[C@H](CC(=O)N1CCNC[C@@H]1C)C(C)(C)C ZINC000637815399 351655029 /nfs/dbraw/zinc/65/50/29/351655029.db2.gz AIZPJTHRTJLSJP-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN c1nc(CN2CCCCCC2)cc2c1OCCO2 ZINC000637829651 351678251 /nfs/dbraw/zinc/67/82/51/351678251.db2.gz SSBWLTYCMXDLOD-UHFFFAOYSA-N 0 1 248.326 2.229 20 0 BEADMN CC(C)CC[C@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000277233494 351690451 /nfs/dbraw/zinc/69/04/51/351690451.db2.gz NKUNZLQOHWMNIO-QMMMGPOBSA-N 0 1 249.318 2.295 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000577747960 366051832 /nfs/dbraw/zinc/05/18/32/366051832.db2.gz FXMQUTLTLUZLFF-BFHYXJOUSA-N 0 1 245.322 2.339 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCC[C@H]1CCO1 ZINC000637840632 351695724 /nfs/dbraw/zinc/69/57/24/351695724.db2.gz GBYQQENMBUXLTC-OLZOCXBDSA-N 0 1 234.343 2.434 20 0 BEADMN CCCN(Cc1cc(C(C)=O)no1)C(C)C ZINC000577765639 366057942 /nfs/dbraw/zinc/05/79/42/366057942.db2.gz HNEUIHOBJGXRTG-UHFFFAOYSA-N 0 1 224.304 2.498 20 0 BEADMN CCOC(=O)C1CCC(NCC(C)(F)F)CC1 ZINC000577755498 366055310 /nfs/dbraw/zinc/05/53/10/366055310.db2.gz UJFBYIXOEUMKQC-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H](C)C(C)C)n[nH]1 ZINC000031715351 351757701 /nfs/dbraw/zinc/75/77/01/351757701.db2.gz FGZJOTHDPKPHAI-SECBINFHSA-N 0 1 223.320 2.089 20 0 BEADMN CCN(CCOC)[C@@H](C)c1cnc(C)nc1C ZINC000637895433 351767308 /nfs/dbraw/zinc/76/73/08/351767308.db2.gz DZBWCPUGMMKKGZ-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1oc(CN)cc1C ZINC000637946260 351821641 /nfs/dbraw/zinc/82/16/41/351821641.db2.gz YPKZQABPMHYHLE-PSASIEDQSA-N 0 1 238.331 2.211 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCC2(CCC2)C1 ZINC000638004345 351878588 /nfs/dbraw/zinc/87/85/88/351878588.db2.gz PQFGOEZKSXCQAR-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000638044053 351923476 /nfs/dbraw/zinc/92/34/76/351923476.db2.gz KBZZCJOUEGGQMY-UWVGGRQHSA-N 0 1 236.315 2.060 20 0 BEADMN CC(C)CONC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276526789 187513978 /nfs/dbraw/zinc/51/39/78/187513978.db2.gz MHKKMYFGLREYKQ-GFCCVEGCSA-N 0 1 247.294 2.060 20 0 BEADMN CCN(Cc1ccc(=O)[nH]c1)Cc1ccccn1 ZINC000638068740 351940319 /nfs/dbraw/zinc/94/03/19/351940319.db2.gz XVBAEHQICININM-UHFFFAOYSA-N 0 1 243.310 2.204 20 0 BEADMN Cc1ccc(CN(C)CCn2cccn2)c(F)c1 ZINC000638073564 351945723 /nfs/dbraw/zinc/94/57/23/351945723.db2.gz NOOLLVDNBNEKEZ-UHFFFAOYSA-N 0 1 247.317 2.463 20 0 BEADMN CCC[C@@H](C[N@H+]1CCS[C@H](C)C1)OC ZINC000638027391 351906182 /nfs/dbraw/zinc/90/61/82/351906182.db2.gz VHXMRURZDXLVNE-MNOVXSKESA-N 0 1 217.378 2.239 20 0 BEADMN CCN(Cc1cccc(C)c1C)[C@@H]1CCNC1=O ZINC000281872427 351914017 /nfs/dbraw/zinc/91/40/17/351914017.db2.gz WLVIYNULIMEWRW-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)N1CCNC[C@H]1C ZINC000638148824 352010256 /nfs/dbraw/zinc/01/02/56/352010256.db2.gz HIIJMPJJXLPBSY-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)N1CCNC[C@H]1C ZINC000638148823 352010665 /nfs/dbraw/zinc/01/06/65/352010665.db2.gz HIIJMPJJXLPBSY-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000638093440 351972620 /nfs/dbraw/zinc/97/26/20/351972620.db2.gz UKAMAVSIZVTUJQ-JTQLQIEISA-N 0 1 242.269 2.240 20 0 BEADMN Cc1ncc([C@@H](C)N2CCCOC[C@H]2C)c(C)n1 ZINC000638100622 351981000 /nfs/dbraw/zinc/98/10/00/351981000.db2.gz KLYWMWVWAXKGAH-ZYHUDNBSSA-N 0 1 249.358 2.265 20 0 BEADMN COc1ncc(CN2C[C@@H]3[C@H](C2)C3(C)C)s1 ZINC000638117218 351993230 /nfs/dbraw/zinc/99/32/30/351993230.db2.gz JZHMTEXPTGDGQZ-AOOOYVTPSA-N 0 1 238.356 2.240 20 0 BEADMN Cc1cnc(CNCCCOCC(C)C)o1 ZINC000638308535 352137314 /nfs/dbraw/zinc/13/73/14/352137314.db2.gz IQZCRWLZWNBLTE-UHFFFAOYSA-N 0 1 226.320 2.135 20 0 BEADMN CCC[C@@H](CNCc1cc(CC)no1)OC ZINC000638275994 352113093 /nfs/dbraw/zinc/11/30/93/352113093.db2.gz UTOXUKQQYQWXKW-NSHDSACASA-N 0 1 226.320 2.142 20 0 BEADMN CC(C)C[C@H](CO)NCc1cc(C2CC2)no1 ZINC000638411567 352220404 /nfs/dbraw/zinc/22/04/04/352220404.db2.gz JOZJFEQLLNVXHD-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@H]2CC2(F)F)no1 ZINC000638420891 352229106 /nfs/dbraw/zinc/22/91/06/352229106.db2.gz QEMPORRXEAGPSV-IONNQARKSA-N 0 1 216.231 2.116 20 0 BEADMN CCN(Cc1ccc(F)cn1)C[C@H](C)OC ZINC000291142395 352263286 /nfs/dbraw/zinc/26/32/86/352263286.db2.gz CXLHGIYXUIIWJP-JTQLQIEISA-N 0 1 226.295 2.078 20 0 BEADMN COC(=O)c1cc(CN(C)C2CC2)cs1 ZINC000411170571 191165978 /nfs/dbraw/zinc/16/59/78/191165978.db2.gz BCGHYRUFLAIJHA-UHFFFAOYSA-N 0 1 225.313 2.129 20 0 BEADMN c1csc(CCNCc2cc(C3CC3)no2)n1 ZINC000638460118 352271877 /nfs/dbraw/zinc/27/18/77/352271877.db2.gz RXTZMQLCGKEBAA-UHFFFAOYSA-N 0 1 249.339 2.341 20 0 BEADMN CC(C)n1ccnc1CN[C@]12C[C@H]1COC2(C)C ZINC000623622767 363161541 /nfs/dbraw/zinc/16/15/41/363161541.db2.gz FMKZGHVYYDXHMS-SMDDNHRTSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H](NCc1nc2ccccc2o1)C(C)(C)O ZINC000638478680 352289064 /nfs/dbraw/zinc/28/90/64/352289064.db2.gz JRMOOAOKGHADJB-VIFPVBQESA-N 0 1 234.299 2.077 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)CC1CCCC1 ZINC000638484199 352294423 /nfs/dbraw/zinc/29/44/23/352294423.db2.gz PCHNRLQYTAGMDN-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCNC[C@@H]1C(C)C ZINC000638490377 352299892 /nfs/dbraw/zinc/29/98/92/352299892.db2.gz WYEPWWYEBNWAFT-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCCN(C)Cc1csc(C(=O)OC)c1 ZINC000411207810 191169367 /nfs/dbraw/zinc/16/93/67/191169367.db2.gz GWBJWKQASCNJCL-UHFFFAOYSA-N 0 1 227.329 2.377 20 0 BEADMN CC[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000292498571 352322007 /nfs/dbraw/zinc/32/20/07/352322007.db2.gz SHKLETYKEJUJRO-OLZOCXBDSA-N 0 1 234.343 2.235 20 0 BEADMN CC1(C)CN(Cc2nccc(N)n2)[C@@H]2CCC[C@H]21 ZINC000292943716 352334240 /nfs/dbraw/zinc/33/42/40/352334240.db2.gz DLDAKMYJTZZTOP-GHMZBOCLSA-N 0 1 246.358 2.069 20 0 BEADMN Cc1nnc([C@@H](C)N(C)C[C@@H]2CC=CCC2)[nH]1 ZINC000411515504 191191442 /nfs/dbraw/zinc/19/14/42/191191442.db2.gz VWHVKNNPAKSLFY-ZYHUDNBSSA-N 0 1 234.347 2.462 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CCC(C)CC1 ZINC000096593433 352369637 /nfs/dbraw/zinc/36/96/37/352369637.db2.gz UOLUQLQSHPETRW-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(C)(F)F ZINC000452867444 352375982 /nfs/dbraw/zinc/37/59/82/352375982.db2.gz OCCDUPQWYFAOOL-OPRDCNLKSA-N 0 1 248.317 2.019 20 0 BEADMN CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cc(C)on1 ZINC000340467210 352379203 /nfs/dbraw/zinc/37/92/03/352379203.db2.gz XVZDDWVJJMMHKF-RYUDHWBXSA-N 0 1 237.347 2.118 20 0 BEADMN Cc1nnc([C@H](C)N(C)C[C@H]2CC=CCC2)[nH]1 ZINC000411515499 191191238 /nfs/dbraw/zinc/19/12/38/191191238.db2.gz VWHVKNNPAKSLFY-JQWIXIFHSA-N 0 1 234.347 2.462 20 0 BEADMN CC[C@@H](NCc1occc1C)[C@H](O)C(F)F ZINC000295008361 352392659 /nfs/dbraw/zinc/39/26/59/352392659.db2.gz JDOCBRZQUBDWHH-SCZZXKLOSA-N 0 1 233.258 2.082 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)[C@@H](C)[C@@H](C)O1 ZINC000411613901 191197300 /nfs/dbraw/zinc/19/73/00/191197300.db2.gz QFOYIDRWZRSAAS-OUAUKWLOSA-N 0 1 240.372 2.183 20 0 BEADMN CC[C@@H](CO)N(C)Cc1ccc(OC)cc1F ZINC000379094729 352410707 /nfs/dbraw/zinc/41/07/07/352410707.db2.gz MQCZZQDVMAHJRK-NSHDSACASA-N 0 1 241.306 2.037 20 0 BEADMN CCCCOCCNCc1cc(F)ncc1F ZINC000296463659 352447548 /nfs/dbraw/zinc/44/75/48/352447548.db2.gz OXFLSRLFTCYASI-UHFFFAOYSA-N 0 1 244.285 2.266 20 0 BEADMN CCN(Cc1cc(COC)on1)CC(C)C ZINC000297638254 352480708 /nfs/dbraw/zinc/48/07/08/352480708.db2.gz IFNZKMLHFUXZPU-UHFFFAOYSA-N 0 1 226.320 2.299 20 0 BEADMN CCN(Cc1nccn1C)C1CCCC1 ZINC000299613997 352542645 /nfs/dbraw/zinc/54/26/45/352542645.db2.gz OTTXNWQYIJUADC-UHFFFAOYSA-N 0 1 207.321 2.185 20 0 BEADMN CC[C@H](O)CCCNCc1nc2ccccc2o1 ZINC000638672661 352514377 /nfs/dbraw/zinc/51/43/77/352514377.db2.gz XHNRWYPZKHBQDR-NSHDSACASA-N 0 1 248.326 2.469 20 0 BEADMN COc1cccc(C)c1CNCc1cc(C)n[nH]1 ZINC000638676907 352516183 /nfs/dbraw/zinc/51/61/83/352516183.db2.gz XHKIJJICNBCCCB-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC[C@H](NC[C@@H]1CCCO1)c1nccs1 ZINC000045206167 352588111 /nfs/dbraw/zinc/58/81/11/352588111.db2.gz ZFHYGFPIOJLJTR-UWVGGRQHSA-N 0 1 226.345 2.363 20 0 BEADMN c1cncc(CCN2CCO[C@@H](C3CCC3)C2)c1 ZINC000411855979 191220269 /nfs/dbraw/zinc/22/02/69/191220269.db2.gz VHIXUZYINRDALE-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN C[C@@H](C[N@H+]1CCO[C@H](CF)C1)c1ccccc1 ZINC000411860035 191222689 /nfs/dbraw/zinc/22/26/89/191222689.db2.gz PLZDYZFOKKBHFC-GXTWGEPZSA-N 0 1 237.318 2.460 20 0 BEADMN C[C@@H](CN1CCO[C@H](CF)C1)c1ccccc1 ZINC000411860035 191222691 /nfs/dbraw/zinc/22/26/91/191222691.db2.gz PLZDYZFOKKBHFC-GXTWGEPZSA-N 0 1 237.318 2.460 20 0 BEADMN C[C@]12CCCC[C@H]1CN2C(=O)c1coc(CN)c1 ZINC000638757304 352688155 /nfs/dbraw/zinc/68/81/55/352688155.db2.gz KJLFPKFQIYEJMC-FZMZJTMJSA-N 0 1 248.326 2.143 20 0 BEADMN NCc1ccc(C(=O)N2CCCC3(CC3)CC2)o1 ZINC000638755648 352689409 /nfs/dbraw/zinc/68/94/09/352689409.db2.gz CUNRVIKAGYXBCH-UHFFFAOYSA-N 0 1 248.326 2.145 20 0 BEADMN CC(C)[C@H](N)c1noc(CC(C)(C)C)n1 ZINC000041052673 187803177 /nfs/dbraw/zinc/80/31/77/187803177.db2.gz GREMAFFQOZPQQN-VIFPVBQESA-N 0 1 211.309 2.314 20 0 BEADMN COC1([C@H](C)NCc2ncc(C)s2)CCC1 ZINC000412020081 191237282 /nfs/dbraw/zinc/23/72/82/191237282.db2.gz HFHCZIOUUAOGRC-JTQLQIEISA-N 0 1 240.372 2.499 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)Cc1occc1C ZINC000412027441 191239768 /nfs/dbraw/zinc/23/97/68/191239768.db2.gz PNWFXFICPSYMPD-UHFFFAOYSA-N 0 1 234.303 2.037 20 0 BEADMN CCN(Cc1occc1C)Cc1ccnc(N)c1 ZINC000412032081 191241489 /nfs/dbraw/zinc/24/14/89/191241489.db2.gz YQBUIVRGUAMBPR-UHFFFAOYSA-N 0 1 245.326 2.418 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(CC)C[C@H]1C ZINC000341773172 352723591 /nfs/dbraw/zinc/72/35/91/352723591.db2.gz PMBMMLZIZRFXPW-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@H]1CC1(F)F ZINC000638777011 352723616 /nfs/dbraw/zinc/72/36/16/352723616.db2.gz AZOADAMLQOJLDK-JGVFFNPUSA-N 0 1 230.233 2.354 20 0 BEADMN C[C@@H]1C[C@H](NCc2ncccc2F)CS1 ZINC000638776985 352723995 /nfs/dbraw/zinc/72/39/95/352723995.db2.gz APCCCTVRQPGYBZ-BDAKNGLRSA-N 0 1 226.320 2.204 20 0 BEADMN Cc1cc(CN2CCC(C(F)F)CC2)on1 ZINC000334179120 352765187 /nfs/dbraw/zinc/76/51/87/352765187.db2.gz ADZGLVHTIAOXTK-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN Cn1c(CN2CC[C@@H]3CCC[C@@H]32)nnc1C1CC1 ZINC000334240637 352827766 /nfs/dbraw/zinc/82/77/66/352827766.db2.gz MHRDWTDQNGMOHY-JQWIXIFHSA-N 0 1 246.358 2.067 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)nc1 ZINC000334192809 352784329 /nfs/dbraw/zinc/78/43/29/352784329.db2.gz IYFDDBCSWVNWMV-AWEZNQCLSA-N 0 1 246.354 2.269 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000412085405 191254935 /nfs/dbraw/zinc/25/49/35/191254935.db2.gz NAGSJDDPJBAFCC-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN COc1ccncc1C[N@H+]1CCC12CCC2 ZINC000334258099 352868576 /nfs/dbraw/zinc/86/85/76/352868576.db2.gz RDASRDBLEHSLBB-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN COc1ccncc1CN1CCC12CCC2 ZINC000334258099 352868577 /nfs/dbraw/zinc/86/85/77/352868577.db2.gz RDASRDBLEHSLBB-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN C[C@H]1CN(C(=O)C2(C)CCCC2)[C@@H](C)CN1C ZINC000334243959 352832705 /nfs/dbraw/zinc/83/27/05/352832705.db2.gz YXEYJSJPXDQXNU-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000334248478 352840974 /nfs/dbraw/zinc/84/09/74/352840974.db2.gz QCFQZRZTEJAFAS-LURJTMIESA-N 0 1 247.220 2.053 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@H](C)C2)n1C1CC1 ZINC000334274849 352911308 /nfs/dbraw/zinc/91/13/08/352911308.db2.gz QQBQJHGFIWQHJQ-AOOOYVTPSA-N 0 1 234.347 2.009 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC000334282955 352924073 /nfs/dbraw/zinc/92/40/73/352924073.db2.gz YSYHLLNNQSNLPV-RYUDHWBXSA-N 0 1 221.348 2.431 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC[C@@H](C)C2)n1C ZINC000342866115 352882934 /nfs/dbraw/zinc/88/29/34/352882934.db2.gz ZAXLELNMSHSSDM-PWSUYJOCSA-N 0 1 221.348 2.349 20 0 BEADMN Cn1nccc1[C@H]1CCCCN1C[C@@H]1CCCO1 ZINC000334251534 352887725 /nfs/dbraw/zinc/88/77/25/352887725.db2.gz VKCOFTKOHZQUEN-GXTWGEPZSA-N 0 1 249.358 2.126 20 0 BEADMN Cn1nccc1[C@H]1CCCCN1C[C@H]1CCCO1 ZINC000334251545 352887876 /nfs/dbraw/zinc/88/78/76/352887876.db2.gz VKCOFTKOHZQUEN-TZMCWYRMSA-N 0 1 249.358 2.126 20 0 BEADMN CCc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1 ZINC000334253416 352890224 /nfs/dbraw/zinc/89/02/24/352890224.db2.gz XCGOSYAESQNNTI-MNOVXSKESA-N 0 1 248.374 2.378 20 0 BEADMN CCc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)nc1 ZINC000334261386 352893911 /nfs/dbraw/zinc/89/39/11/352893911.db2.gz XSXPZWPFUWLJGX-CHWSQXEVSA-N 0 1 247.386 2.168 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)ccc1F ZINC000334265964 352901403 /nfs/dbraw/zinc/90/14/03/352901403.db2.gz MCFADNZZFBXDPB-NOZJJQNGSA-N 0 1 240.297 2.005 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@@H]2C)ccn1 ZINC000334269547 352905530 /nfs/dbraw/zinc/90/55/30/352905530.db2.gz PSNNDRSPHXLECC-JTQLQIEISA-N 0 1 206.289 2.075 20 0 BEADMN C[C@H]1COCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000334365343 353019266 /nfs/dbraw/zinc/01/92/66/353019266.db2.gz HSKBGXSPXFRIDL-GXFFZTMASA-N 0 1 232.327 2.407 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)[C@H](C)C1CC1 ZINC000638853073 353024521 /nfs/dbraw/zinc/02/45/21/353024521.db2.gz JABDXBJOTHQIKA-BXUZGUMPSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@@H]1CN(CCC(F)(F)F)CCCO1 ZINC000334372920 353025823 /nfs/dbraw/zinc/02/58/23/353025823.db2.gz SFKCTXMKDPBBAX-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN CCC1(O)CCC(NCc2ncc(C)o2)CC1 ZINC000638848151 353027763 /nfs/dbraw/zinc/02/77/63/353027763.db2.gz BGGNGDACCWYMKD-UHFFFAOYSA-N 0 1 238.331 2.156 20 0 BEADMN Cc1cccc([C@H](C)N2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412104058 191262745 /nfs/dbraw/zinc/26/27/45/191262745.db2.gz ZUYRMNIRKLOVHD-GZBFAFLISA-N 0 1 249.354 2.138 20 0 BEADMN CC[C@@](C)(NC(=O)c1coc(CN)c1)C1CC1 ZINC000638857450 353033855 /nfs/dbraw/zinc/03/38/55/353033855.db2.gz FOCLWEJUBXOXRD-CYBMUJFWSA-N 0 1 236.315 2.047 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H](C)[C@@H]2CC2(F)F)[nH]1 ZINC000638821926 353002594 /nfs/dbraw/zinc/00/25/94/353002594.db2.gz DIBYJFPOYJFBCD-FXQIFTODSA-N 0 1 244.289 2.061 20 0 BEADMN CCc1nnc([C@H](C)N[C@H](C)[C@H]2CC2(F)F)[nH]1 ZINC000638821927 353002902 /nfs/dbraw/zinc/00/29/02/353002902.db2.gz DIBYJFPOYJFBCD-GJMOJQLCSA-N 0 1 244.289 2.061 20 0 BEADMN C[C@@H]1CCN(Cc2c[nH]c3ncncc23)C[C@H]1F ZINC000638910095 353067729 /nfs/dbraw/zinc/06/77/29/353067729.db2.gz MXUCYWDHVZBPQM-BXKDBHETSA-N 0 1 248.305 2.089 20 0 BEADMN Cc1ccc(NC(=O)CN(C)CC(C)(C)C)nc1 ZINC000092761523 538107716 /nfs/dbraw/zinc/10/77/16/538107716.db2.gz KQYCDVRIAGPCKF-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CCC(C)(C)CCNC(=O)c1ccc(CN)o1 ZINC000638866248 353040544 /nfs/dbraw/zinc/04/05/44/353040544.db2.gz PVLYQZQBKPPXCU-UHFFFAOYSA-N 0 1 238.331 2.294 20 0 BEADMN Cn1cncc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000334384044 353046496 /nfs/dbraw/zinc/04/64/96/353046496.db2.gz LLZOQVHRPCPKRP-ZDUSSCGKSA-N 0 1 231.343 2.185 20 0 BEADMN CN(C(=O)c1ccc2cncn2c1)[C@H]1CC1(C)C ZINC000334468265 353116244 /nfs/dbraw/zinc/11/62/44/353116244.db2.gz FWODPLVORUOLBG-LBPRGKRZSA-N 0 1 243.310 2.205 20 0 BEADMN CC[C@@H](CCO)NCc1ncc(Cl)s1 ZINC000225355279 363205385 /nfs/dbraw/zinc/20/53/85/363205385.db2.gz AVTRVGQRYLJUGT-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358739274 188068179 /nfs/dbraw/zinc/06/81/79/188068179.db2.gz PKWYWHKRGAJUKQ-AGIUHOORSA-N 0 1 240.391 2.220 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCOCC12CCC2 ZINC000373610055 188076524 /nfs/dbraw/zinc/07/65/24/188076524.db2.gz MOOXUQAWQQFAAT-CYBMUJFWSA-N 0 1 241.375 2.038 20 0 BEADMN OC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000225294751 363205179 /nfs/dbraw/zinc/20/51/79/363205179.db2.gz NCEZYOOCMIGJQR-UHFFFAOYSA-N 0 1 246.763 2.190 20 0 BEADMN CN(Cc1ccsc1)c1ncnc2[nH]cnc21 ZINC000047509642 353152710 /nfs/dbraw/zinc/15/27/10/353152710.db2.gz ZXSJQNBLVWPJNY-UHFFFAOYSA-N 0 1 245.311 2.051 20 0 BEADMN Cc1nn(C)cc1CN[C@@H]1CCCC[C@H]1F ZINC000335631439 188082527 /nfs/dbraw/zinc/08/25/27/188082527.db2.gz OSJZULPNCKXCHX-VXGBXAGGSA-N 0 1 225.311 2.099 20 0 BEADMN CC(=O)Nc1cccc(NCc2cn[nH]c2C)c1 ZINC000036901496 188083095 /nfs/dbraw/zinc/08/30/95/188083095.db2.gz SLODLWNUVGCBHI-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN COc1ccc(CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000070921316 188130687 /nfs/dbraw/zinc/13/06/87/188130687.db2.gz ACOTWUGBYSEUSZ-BETUJISGSA-N 0 1 249.354 2.347 20 0 BEADMN C[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000077373852 188136128 /nfs/dbraw/zinc/13/61/28/188136128.db2.gz DZBCOQWNBVOQCJ-GFCCVEGCSA-N 0 1 237.274 2.293 20 0 BEADMN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCCCO ZINC000170872318 188162253 /nfs/dbraw/zinc/16/22/53/188162253.db2.gz JJIAJDMMJWVIQK-UKRRQHHQSA-N 0 1 249.354 2.221 20 0 BEADMN CC(C)C1(C)CCN(Cc2nccc(N)n2)CC1 ZINC000186200660 188170344 /nfs/dbraw/zinc/17/03/44/188170344.db2.gz ATSJRXCXPJWHCC-UHFFFAOYSA-N 0 1 248.374 2.317 20 0 BEADMN CC(C)(CF)NCc1cc(O)cc(F)c1 ZINC000336756377 188171356 /nfs/dbraw/zinc/17/13/56/188171356.db2.gz JITWBFUOWIJLKS-UHFFFAOYSA-N 0 1 215.243 2.369 20 0 BEADMN CCCc1csc(CNC[C@H](C)OC)n1 ZINC000336760639 188171465 /nfs/dbraw/zinc/17/14/65/188171465.db2.gz LXVITNQXJGFGKD-VIFPVBQESA-N 0 1 228.361 2.220 20 0 BEADMN Clc1cnc(CNCC[C@H]2CCCO2)s1 ZINC000225310191 538111871 /nfs/dbraw/zinc/11/18/71/538111871.db2.gz RGVOEQKWVNLSFU-MRVPVSSYSA-N 0 1 246.763 2.455 20 0 BEADMN Cc1ccc(CSCc2nn[nH]n2)cc1C ZINC000268211992 188196447 /nfs/dbraw/zinc/19/64/47/188196447.db2.gz HAZPBNWBWBSTLY-UHFFFAOYSA-N 0 1 234.328 2.250 20 0 BEADMN CC(C)C[C@H](C)CN1CC[S@](=O)[C@@H](C)C1 ZINC000337199822 188185429 /nfs/dbraw/zinc/18/54/29/188185429.db2.gz ZEOSOUUVVWXZBK-HUBLWGQQSA-N 0 1 231.405 2.121 20 0 BEADMN Cc1ccc(F)cc1NC(=O)c1ncccc1O ZINC000037760576 358476864 /nfs/dbraw/zinc/47/68/64/358476864.db2.gz YVVAWYQHWFMWQN-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN C(C1CCC1)[C@@H]1COCCN1C[C@@H]1CCCO1 ZINC000339770295 188192242 /nfs/dbraw/zinc/19/22/42/188192242.db2.gz AXCNEBHSGFUPBP-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)CN1[C@H]1CCOC1=O ZINC000246739133 188192489 /nfs/dbraw/zinc/19/24/89/188192489.db2.gz IHSFITWTCVHLFX-BNOWGMLFSA-N 0 1 245.322 2.180 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2ccn[nH]2)CC12CCC2 ZINC000293718071 188212929 /nfs/dbraw/zinc/21/29/29/188212929.db2.gz JSTURARIWJYSID-NSHDSACASA-N 0 1 233.315 2.060 20 0 BEADMN CC(=O)c1ccc(CN(C)CC2(CO)CC2)cc1 ZINC000295707410 188213466 /nfs/dbraw/zinc/21/34/66/188213466.db2.gz JVZQPDGKELHQEX-UHFFFAOYSA-N 0 1 247.338 2.094 20 0 BEADMN CC(C)C[C@@H](C)CSc1nc(N)cc(N)n1 ZINC000301016721 188216128 /nfs/dbraw/zinc/21/61/28/188216128.db2.gz ZSWJUEHJEWEYCF-MRVPVSSYSA-N 0 1 240.376 2.415 20 0 BEADMN COC1(CN[C@H](C)c2cscn2)CCC1 ZINC000134716744 538113634 /nfs/dbraw/zinc/11/36/34/538113634.db2.gz LTSALZZOBZAKEQ-SECBINFHSA-N 0 1 226.345 2.363 20 0 BEADMN CCc1ncc(CN(C)C[C@H](C)OC)s1 ZINC000272848071 188200194 /nfs/dbraw/zinc/20/01/94/188200194.db2.gz VANYHUABCSZTHG-VIFPVBQESA-N 0 1 228.361 2.172 20 0 BEADMN COc1ccnc(CN(C)CC(C)C)c1OC ZINC000276399328 188202486 /nfs/dbraw/zinc/20/24/86/188202486.db2.gz BVRSPOPJRAFINA-UHFFFAOYSA-N 0 1 238.331 2.187 20 0 BEADMN CCc1nsc(NCCC2(F)CCC2)n1 ZINC000336765814 353262119 /nfs/dbraw/zinc/26/21/19/353262119.db2.gz RETJLZMQWBIDMY-UHFFFAOYSA-N 0 1 229.324 2.217 20 0 BEADMN CC(C)N(C)Cc1cnc([C@@H](C)O)s1 ZINC000289115697 188210476 /nfs/dbraw/zinc/21/04/76/188210476.db2.gz NEYSQCBAFRVHRA-MRVPVSSYSA-N 0 1 214.334 2.037 20 0 BEADMN Cc1[nH]ncc1C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290468453 188210749 /nfs/dbraw/zinc/21/07/49/188210749.db2.gz NIPOUYBIUUPMPM-RRFJBIMHSA-N 0 1 239.322 2.146 20 0 BEADMN CCc1cnc(CNC(C)(C)COC)s1 ZINC000336769252 353284235 /nfs/dbraw/zinc/28/42/35/353284235.db2.gz UQIJULCUERYLRA-UHFFFAOYSA-N 0 1 228.361 2.220 20 0 BEADMN C[C@]1(NCc2ccncc2Cl)CCOC1 ZINC000229458074 324043562 /nfs/dbraw/zinc/04/35/62/324043562.db2.gz HAAHAVVEULRMQI-NSHDSACASA-N 0 1 226.707 2.004 20 0 BEADMN CN(Cc1ccc(F)cc1F)C[C@@H](O)C1CC1 ZINC000084963911 538115267 /nfs/dbraw/zinc/11/52/67/538115267.db2.gz JOIQMIZSMUZFHJ-CYBMUJFWSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](NC[C@@H]1CCC[C@@H](O)C1)c1cscn1 ZINC000218259066 324077032 /nfs/dbraw/zinc/07/70/32/324077032.db2.gz ZSELVWXDCJSKJB-HBNTYKKESA-N 0 1 240.372 2.345 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419812 538115939 /nfs/dbraw/zinc/11/59/39/538115939.db2.gz BTZGWJGYEJEKJA-NEPJUHHUSA-N 0 1 248.326 2.329 20 0 BEADMN CCC[C@H](CN[C@H](CCO)c1ccco1)OC ZINC000639052556 353353038 /nfs/dbraw/zinc/35/30/38/353353038.db2.gz JEIUZZLYAIGPFW-VXGBXAGGSA-N 0 1 241.331 2.108 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419803 538116038 /nfs/dbraw/zinc/11/60/38/538116038.db2.gz BTZGWJGYEJEKJA-RYUDHWBXSA-N 0 1 248.326 2.329 20 0 BEADMN O[C@H]1CCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000639076087 353402117 /nfs/dbraw/zinc/40/21/17/353402117.db2.gz PHKCPSBDHJKBLY-JQWIXIFHSA-N 0 1 246.310 2.221 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc2ccccc2o1 ZINC000639091320 353452164 /nfs/dbraw/zinc/45/21/64/353452164.db2.gz OGUYORINYVEGBT-UWVGGRQHSA-N 0 1 234.299 2.341 20 0 BEADMN Fc1ccc(CCNCc2csnn2)cc1 ZINC000036901839 180964509 /nfs/dbraw/zinc/96/45/09/180964509.db2.gz HIVRCHQGICRYKP-UHFFFAOYSA-N 0 1 237.303 2.010 20 0 BEADMN CCC[C@H]([NH2+]Cc1cnn[n-]1)C1CCCC1 ZINC000398404684 363232822 /nfs/dbraw/zinc/23/28/22/363232822.db2.gz OKNOCTRJCOUBFN-LBPRGKRZSA-N 0 1 222.336 2.253 20 0 BEADMN Cc1ncccc1CN1CC2(C1)CCCOC2 ZINC000334512425 353539827 /nfs/dbraw/zinc/53/98/27/353539827.db2.gz ZRQAHGZLLGWYPR-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN C[C@H]1CCSCCN1Cc1ccns1 ZINC000639101511 353545818 /nfs/dbraw/zinc/54/58/18/353545818.db2.gz APWRTKAREXHBPC-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN CN(Cc1ccc2c(n1)CCC2)[C@H]1CCCOC1 ZINC000334513788 353571516 /nfs/dbraw/zinc/57/15/16/353571516.db2.gz UDMZHWPJWJAPHX-AWEZNQCLSA-N 0 1 246.354 2.181 20 0 BEADMN O=C(c1cnc[nH]1)N1CC[C@@H]1c1cccc(F)c1 ZINC000608216885 353637517 /nfs/dbraw/zinc/63/75/17/353637517.db2.gz WOBOMYQXWVAORE-GFCCVEGCSA-N 0 1 245.257 2.136 20 0 BEADMN Cc1cnn(C)c1CN1CC(C2CCCC2)C1 ZINC000334517491 353638751 /nfs/dbraw/zinc/63/87/51/353638751.db2.gz GVMMUAWDUBFMPW-UHFFFAOYSA-N 0 1 233.359 2.351 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1Cc1nccn1C ZINC000334515903 353606862 /nfs/dbraw/zinc/60/68/62/353606862.db2.gz RYRSFSVKRRHTEQ-LLVKDONJSA-N 0 1 219.332 2.185 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000572522973 324189117 /nfs/dbraw/zinc/18/91/17/324189117.db2.gz QUIYTDBSEYIQNV-PWSUYJOCSA-N 0 1 227.348 2.465 20 0 BEADMN COCCN(C)Cc1ccc(Cl)s1 ZINC000053400225 363243463 /nfs/dbraw/zinc/24/34/63/363243463.db2.gz PLOPCIUKZFCDNV-UHFFFAOYSA-N 0 1 219.737 2.480 20 0 BEADMN CCc1ccc(CC[N@H+](CC)CC(=O)[O-])cc1 ZINC000577878403 366095598 /nfs/dbraw/zinc/09/55/98/366095598.db2.gz HJDYVSKDVDOTBA-UHFFFAOYSA-N 0 1 235.327 2.198 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000334518463 353654357 /nfs/dbraw/zinc/65/43/57/353654357.db2.gz HFYPVRSACYEKKT-AWEZNQCLSA-N 0 1 246.354 2.181 20 0 BEADMN Fc1cccc(F)c1CCNCc1ncc[nH]1 ZINC000067691811 181000559 /nfs/dbraw/zinc/00/05/59/181000559.db2.gz TVEHITJBXHLZBB-UHFFFAOYSA-N 0 1 237.253 2.020 20 0 BEADMN Fc1cccc2c1CN(C[C@@H]1CCCO1)CC2 ZINC000157992883 181006340 /nfs/dbraw/zinc/00/63/40/181006340.db2.gz OZZSHGBXYSABFD-LBPRGKRZSA-N 0 1 235.302 2.363 20 0 BEADMN Fc1cccc(NCCCNCc2ncc[nH]2)c1 ZINC000184288012 181001872 /nfs/dbraw/zinc/00/18/72/181001872.db2.gz CLNYCOPNQXZFCB-UHFFFAOYSA-N 0 1 248.305 2.141 20 0 BEADMN Cc1ccc(CN2C[C@H](O)C(C)(C)C2)c(F)c1 ZINC000639115497 353731560 /nfs/dbraw/zinc/73/15/60/353731560.db2.gz BLXPVLYJSBNMMU-ZDUSSCGKSA-N 0 1 237.318 2.337 20 0 BEADMN CCOC1CC(CNC(C)(C)C(F)F)C1 ZINC000639120905 353763406 /nfs/dbraw/zinc/76/34/06/353763406.db2.gz VRRFJOBFWVOUES-UHFFFAOYSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1c2c(nn1C)CCCC2 ZINC000639121723 353771693 /nfs/dbraw/zinc/77/16/93/353771693.db2.gz VZBVDEQQIGYUCO-PHIMTYICSA-N 0 1 233.359 2.282 20 0 BEADMN CCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343394649 353876188 /nfs/dbraw/zinc/87/61/88/353876188.db2.gz CZLMYEHASDPOBD-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(CCC)CC1 ZINC000343391138 353876204 /nfs/dbraw/zinc/87/62/04/353876204.db2.gz DVHAAPSZKXUXCG-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN Fc1cccc(F)c1CSc1cn[nH]n1 ZINC000334523399 353892232 /nfs/dbraw/zinc/89/22/32/353892232.db2.gz XZBPCLOKANNDKE-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CC1=CCCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639132757 353842408 /nfs/dbraw/zinc/84/24/08/353842408.db2.gz DZMLPRTUZSQCDY-UHFFFAOYSA-N 0 1 245.370 2.451 20 0 BEADMN Cc1cnc([C@H](C)N2CC=C(C)CC2)cn1 ZINC000334537422 353924474 /nfs/dbraw/zinc/92/44/74/353924474.db2.gz JEGDUHPRISQHSV-LBPRGKRZSA-N 0 1 217.316 2.498 20 0 BEADMN Clc1cnn(CCN2CCCC3(CC3)C2)c1 ZINC000334539482 353926889 /nfs/dbraw/zinc/92/68/89/353926889.db2.gz CHLSYSQNMBXYPX-UHFFFAOYSA-N 0 1 239.750 2.413 20 0 BEADMN CCC1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000334553653 353996947 /nfs/dbraw/zinc/99/69/47/353996947.db2.gz ACSVCYBYDGVPDD-VIFPVBQESA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)c1ccn[nH]1 ZINC000334547363 353985731 /nfs/dbraw/zinc/98/57/31/353985731.db2.gz GYXBEFKJJCVALI-ZDUSSCGKSA-N 0 1 235.331 2.451 20 0 BEADMN CCCCN(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343642723 353952022 /nfs/dbraw/zinc/95/20/22/353952022.db2.gz GVKZSOKFJHXKNK-UHFFFAOYSA-N 0 1 221.304 2.159 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@@H](C(C)C)C2)[nH]1 ZINC000334556850 354002986 /nfs/dbraw/zinc/00/29/86/354002986.db2.gz WPLJIUWUIUNZLP-MWLCHTKSSA-N 0 1 222.336 2.152 20 0 BEADMN CN(C(=O)C1CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000153468945 363285934 /nfs/dbraw/zinc/28/59/34/363285934.db2.gz SPWAWSXHJOTCPQ-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@H](C3CC3)C2)n1 ZINC000343965644 354076024 /nfs/dbraw/zinc/07/60/24/354076024.db2.gz XBCLJGNPAGUCGV-ONGXEEELSA-N 0 1 235.331 2.425 20 0 BEADMN CCn1nncc1C[N@H+]1CCCCC(C)(C)C1 ZINC000334564011 354082351 /nfs/dbraw/zinc/08/23/51/354082351.db2.gz QHZZHKXQKGQMRI-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344023342 354085038 /nfs/dbraw/zinc/08/50/38/354085038.db2.gz TTZVKOLXIVUVEM-JQWIXIFHSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCCCCC1 ZINC000257669737 188548383 /nfs/dbraw/zinc/54/83/83/188548383.db2.gz GQLMIGZFPKEXRJ-CQSZACIVSA-N 0 1 246.354 2.397 20 0 BEADMN CC(C)OC1CC(N2CCOC3(CCC3)C2)C1 ZINC000334567454 354089727 /nfs/dbraw/zinc/08/97/27/354089727.db2.gz VXJXZXHPUUMLCI-UHFFFAOYSA-N 0 1 239.359 2.197 20 0 BEADMN CCn1nncc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000334567659 354090312 /nfs/dbraw/zinc/09/03/12/354090312.db2.gz SQOZPZSJEYZIAI-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@@H]1CC=CCC1 ZINC000344033906 354097652 /nfs/dbraw/zinc/09/76/52/354097652.db2.gz GCGQFAGUYCDEQW-GFCCVEGCSA-N 0 1 219.332 2.208 20 0 BEADMN C[C@H]1CC[C@@](C)(C(=O)NCc2cnc[nH]2)C1(C)C ZINC000334571407 354100154 /nfs/dbraw/zinc/10/01/54/354100154.db2.gz LMGKWZYODARFDI-HZMBPMFUSA-N 0 1 249.358 2.488 20 0 BEADMN C[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000334574376 354104875 /nfs/dbraw/zinc/10/48/75/354104875.db2.gz BFHZXLBHZHGPIY-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000334574374 354104917 /nfs/dbraw/zinc/10/49/17/354104917.db2.gz BFHZXLBHZHGPIY-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN CC[C@@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000334561992 354116525 /nfs/dbraw/zinc/11/65/25/354116525.db2.gz SLCGQZDXNSLRIZ-GXSJLCMTSA-N 0 1 222.336 2.296 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1CCSC1 ZINC000449702648 202005547 /nfs/dbraw/zinc/00/55/47/202005547.db2.gz ZOGIDRJRSFRCOG-SECBINFHSA-N 0 1 224.329 2.147 20 0 BEADMN CCC[C@H](C)CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000344253587 354190632 /nfs/dbraw/zinc/19/06/32/354190632.db2.gz RWIQUJJWPBWJDT-QWRGUYRKSA-N 0 1 249.358 2.210 20 0 BEADMN C[C@H](N[C@@H]1CC12CCCC2)c1ccn(C)n1 ZINC000334582861 354202726 /nfs/dbraw/zinc/20/27/26/354202726.db2.gz YLOUHNWHOXMLRM-CMPLNLGQSA-N 0 1 219.332 2.403 20 0 BEADMN Cc1noc(CN2CCCCC(C)(C)C2)n1 ZINC000334582620 354202805 /nfs/dbraw/zinc/20/28/05/354202805.db2.gz JTWWPJORWZPRPC-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN CCC[C@H](C)C(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344409565 354251234 /nfs/dbraw/zinc/25/12/34/354251234.db2.gz BHUQRFCIMOHPEC-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN Cc1c[nH]cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000344465306 354266342 /nfs/dbraw/zinc/26/63/42/354266342.db2.gz NSMINZAMEPVQKG-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN OCC[C@H](NCc1ccncc1)c1ccccc1 ZINC000344454035 354262956 /nfs/dbraw/zinc/26/29/56/354262956.db2.gz COTBGNKBCSTBLB-HNNXBMFYSA-N 0 1 242.322 2.295 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)C2=CCCCC2)CCN1C ZINC000334594968 354227045 /nfs/dbraw/zinc/22/70/45/354227045.db2.gz VBUISBBHPMITNP-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC[C@@H]1CCOC1 ZINC000334596807 354230725 /nfs/dbraw/zinc/23/07/25/354230725.db2.gz YSCSXGOMVMFZMG-CHWSQXEVSA-N 0 1 234.343 2.291 20 0 BEADMN c1cc(CN2CC3(C2)CCCOC3)cs1 ZINC000334598581 354233809 /nfs/dbraw/zinc/23/38/09/354233809.db2.gz GEEUVNQTNWSRFL-UHFFFAOYSA-N 0 1 223.341 2.361 20 0 BEADMN CC[C@H](NCc1cnc(C)nc1)c1ccncc1 ZINC000344532904 354282697 /nfs/dbraw/zinc/28/26/97/354282697.db2.gz PNYAPTYXAGVJML-AWEZNQCLSA-N 0 1 242.326 2.421 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2[nH]ncc2C)C1 ZINC000334613038 354297334 /nfs/dbraw/zinc/29/73/34/354297334.db2.gz AKJCKYPMQWEBHF-GFCCVEGCSA-N 0 1 207.321 2.340 20 0 BEADMN C[C@H]1CC[S@](=O)CCN1CC1(C)CCC1 ZINC000334619848 354308730 /nfs/dbraw/zinc/30/87/30/354308730.db2.gz OOHMDYMWTVCGCD-NHYWBVRUSA-N 0 1 229.389 2.020 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCOC(C)(C)C ZINC000344473495 354268135 /nfs/dbraw/zinc/26/81/35/354268135.db2.gz LVZONUIKMCBUPQ-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN O=c1nc(CCCF)[nH]c2ccsc21 ZINC000334600296 354277587 /nfs/dbraw/zinc/27/75/87/354277587.db2.gz XTFFSYDCLOVUQO-UHFFFAOYSA-N 0 1 212.249 2.299 20 0 BEADMN Fc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000334600748 354278504 /nfs/dbraw/zinc/27/85/04/354278504.db2.gz WGJWGCMHDDNFRO-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN Cc1cnc(CNCCC2(F)CCC2)o1 ZINC000639181236 354314829 /nfs/dbraw/zinc/31/48/29/354314829.db2.gz PVOQXAOPJYZOQY-UHFFFAOYSA-N 0 1 212.268 2.355 20 0 BEADMN COC[C@@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000344597381 354322991 /nfs/dbraw/zinc/32/29/91/354322991.db2.gz ZJTIDJVZWTXZAE-CYBMUJFWSA-N 0 1 249.289 2.026 20 0 BEADMN Cn1ccc(CNCc2c[nH]nc2C(C)(C)C)c1 ZINC000344601988 354323603 /nfs/dbraw/zinc/32/36/03/354323603.db2.gz LLYXALOTBLDHJZ-UHFFFAOYSA-N 0 1 246.358 2.336 20 0 BEADMN CC[C@@H](NCc1cnnn1C)c1ccccc1 ZINC000121988993 358486326 /nfs/dbraw/zinc/48/63/26/358486326.db2.gz KRXXVALSLRYLLX-CYBMUJFWSA-N 0 1 230.315 2.056 20 0 BEADMN C[C@@H](CF)N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639182946 354340062 /nfs/dbraw/zinc/34/00/62/354340062.db2.gz NEHSKYUDDPOYJI-ONGXEEELSA-N 0 1 240.326 2.374 20 0 BEADMN FC1(F)CCC[C@@H]1NCCC[C@@H]1CCO1 ZINC000639182984 354340922 /nfs/dbraw/zinc/34/09/22/354340922.db2.gz NWDHAUXIDNOSNH-ZJUUUORDSA-N 0 1 219.275 2.333 20 0 BEADMN FC1(F)CCC[C@@H]1NCCC[C@H]1CCO1 ZINC000639182982 354340942 /nfs/dbraw/zinc/34/09/42/354340942.db2.gz NWDHAUXIDNOSNH-UWVGGRQHSA-N 0 1 219.275 2.333 20 0 BEADMN FC1(F)CCC[C@H]1NCCC[C@H]1CCO1 ZINC000639182983 354341117 /nfs/dbraw/zinc/34/11/17/354341117.db2.gz NWDHAUXIDNOSNH-VHSXEESVSA-N 0 1 219.275 2.333 20 0 BEADMN CCOC1CC(N(C)Cc2cc(C)ns2)C1 ZINC000639183403 354351371 /nfs/dbraw/zinc/35/13/71/354351371.db2.gz VKOGYCDXMGTFTH-UHFFFAOYSA-N 0 1 240.372 2.451 20 0 BEADMN C1=C(CN2CCOCC23CC3)CCCC1 ZINC000334624963 354364495 /nfs/dbraw/zinc/36/44/95/354364495.db2.gz RTDAVPMVRLBYOS-UHFFFAOYSA-N 0 1 207.317 2.352 20 0 BEADMN CC1=CCCN(CCn2cc(Cl)cn2)C1 ZINC000334647148 354437847 /nfs/dbraw/zinc/43/78/47/354437847.db2.gz YBAQAAXXNYUUPP-UHFFFAOYSA-N 0 1 225.723 2.189 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H]1C1CC1 ZINC000334668974 354409210 /nfs/dbraw/zinc/40/92/10/354409210.db2.gz DONPMOSBGHUZDV-LLVKDONJSA-N 0 1 247.342 2.466 20 0 BEADMN C[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC000334669447 354409881 /nfs/dbraw/zinc/40/98/81/354409881.db2.gz VAHCJEGDVDPBNZ-ZANVPECISA-N 0 1 241.281 2.483 20 0 BEADMN Cc1cccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000334677750 354421653 /nfs/dbraw/zinc/42/16/53/354421653.db2.gz HYQCVWIOIPPGBQ-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN CC(C)[C@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000334656223 354450569 /nfs/dbraw/zinc/45/05/69/354450569.db2.gz ODYQHEMQMMDUQQ-LLVKDONJSA-N 0 1 233.302 2.389 20 0 BEADMN CC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CC1 ZINC000334657349 354452057 /nfs/dbraw/zinc/45/20/57/354452057.db2.gz QLSHTFBBGHEAHX-UHFFFAOYSA-N 0 1 233.246 2.441 20 0 BEADMN c1ncn2cc(-c3nc(CC4CC4)no3)ccc12 ZINC000349682600 366213695 /nfs/dbraw/zinc/21/36/95/366213695.db2.gz HLKIYKJFMMRIGX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334659323 354455868 /nfs/dbraw/zinc/45/58/68/354455868.db2.gz ITTQXKSVXKWUQS-RKDXNWHRSA-N 0 1 222.336 2.085 20 0 BEADMN Cc1nc(CN[C@H]2COCC2(C)C)c(C)s1 ZINC000334666125 354468318 /nfs/dbraw/zinc/46/83/18/354468318.db2.gz OFLBKPGPOLIPEB-NSHDSACASA-N 0 1 240.372 2.275 20 0 BEADMN CCc1cnc(C[N@H+]2CC[C@@H](O)C2(C)C)s1 ZINC000334748046 354472186 /nfs/dbraw/zinc/47/21/86/354472186.db2.gz FBFLFZKUBUCPRX-SNVBAGLBSA-N 0 1 240.372 2.051 20 0 BEADMN CCc1cnc(CN2CC[C@@H](O)C2(C)C)s1 ZINC000334748046 354472189 /nfs/dbraw/zinc/47/21/89/354472189.db2.gz FBFLFZKUBUCPRX-SNVBAGLBSA-N 0 1 240.372 2.051 20 0 BEADMN CO[C@H](C)C[N@H+]1CCOCC12CCCCC2 ZINC000334690700 354479069 /nfs/dbraw/zinc/47/90/69/354479069.db2.gz RKTJTKCDXSXDKP-GFCCVEGCSA-N 0 1 227.348 2.056 20 0 BEADMN CO[C@H]1CCN(Cc2ccncc2F)C[C@@H]1C ZINC000334737251 354539425 /nfs/dbraw/zinc/53/94/25/354539425.db2.gz CBXNMQLUFGWVJA-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2occc2C)C[C@@H]1C ZINC000334738452 354541447 /nfs/dbraw/zinc/54/14/47/354541447.db2.gz LWVAAWSDNRLFHX-NWDGAFQWSA-N 0 1 223.316 2.445 20 0 BEADMN CC(C)(C)C(=O)C(=O)Nc1cccc(F)c1O ZINC000530006551 324455064 /nfs/dbraw/zinc/45/50/64/324455064.db2.gz QGOKOTYAVDULPB-UHFFFAOYSA-N 0 1 239.246 2.085 20 0 BEADMN CSC1(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000334711626 354508339 /nfs/dbraw/zinc/50/83/39/354508339.db2.gz UREPMVKSLVTOIN-PHIMTYICSA-N 0 1 229.389 2.381 20 0 BEADMN O=C1[C@@H](N2CCCC2)CCN1c1ccc(F)cc1 ZINC000334809486 354566544 /nfs/dbraw/zinc/56/65/44/354566544.db2.gz ZEYZIXQANGANIW-ZDUSSCGKSA-N 0 1 248.301 2.027 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)[nH]1 ZINC000334744229 354547388 /nfs/dbraw/zinc/54/73/88/354547388.db2.gz RCHNWOIMSWTQBN-YPMHNXCESA-N 0 1 249.358 2.471 20 0 BEADMN CCn1nncc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000334795023 354548379 /nfs/dbraw/zinc/54/83/79/354548379.db2.gz LHLYMAQYXCUGSI-JSGCOSHPSA-N 0 1 248.374 2.453 20 0 BEADMN Cc1cc(CC(=O)N[C@@]2(C)CCCC[C@@H]2C)[nH]n1 ZINC000335094629 354633197 /nfs/dbraw/zinc/63/31/97/354633197.db2.gz SSJCTCASCYDOID-HZMBPMFUSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@H]1CCN1Cc1cncc(OC)c1C ZINC000639202912 354608806 /nfs/dbraw/zinc/60/88/06/354608806.db2.gz NLBHZIFNDOKKGE-GFCCVEGCSA-N 0 1 220.316 2.383 20 0 BEADMN Cc1cc(C)cc(NC(=O)N2CCNC[C@@H]2C)c1 ZINC000335107267 354692534 /nfs/dbraw/zinc/69/25/34/354692534.db2.gz BTUWMWKOFDUJON-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc(F)c(F)c2O)C[C@@H]1F ZINC000335114900 354703761 /nfs/dbraw/zinc/70/37/61/354703761.db2.gz INOPZGLEBWJVBJ-WRWORJQWSA-N 0 1 245.200 2.357 20 0 BEADMN CCN1CCN(C(=O)CC2CCCC2)[C@@H](C)C1 ZINC000335102276 354713211 /nfs/dbraw/zinc/71/32/11/354713211.db2.gz GXLLGTDZQAVEBT-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CO[C@H](CNCc1nc2ccccc2o1)C1CC1 ZINC000639209224 354721612 /nfs/dbraw/zinc/72/16/12/354721612.db2.gz POXACYOUXKPVET-CYBMUJFWSA-N 0 1 246.310 2.342 20 0 BEADMN Cc1cnc(CNc2cc3c(cn2)CCC3)o1 ZINC000639211059 354746106 /nfs/dbraw/zinc/74/61/06/354746106.db2.gz LXKFGVCXGHKBTN-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000335128850 354775863 /nfs/dbraw/zinc/77/58/63/354775863.db2.gz GXOCJTBMGBBDIZ-QWHCGFSZSA-N 0 1 243.310 2.109 20 0 BEADMN Cc1cccc2[nH]c(CNCc3cc[nH]c3)nc21 ZINC000345859240 354807693 /nfs/dbraw/zinc/80/76/93/354807693.db2.gz RPOLUXHGQZWGGA-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN Cc1cccc2nc(CNCc3cc[nH]c3)[nH]c21 ZINC000345859240 354807700 /nfs/dbraw/zinc/80/77/00/354807700.db2.gz RPOLUXHGQZWGGA-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN CCOC1CC(CN[C@H](CC)C(F)F)C1 ZINC000639215324 354816701 /nfs/dbraw/zinc/81/67/01/354816701.db2.gz ZEABXQPHRHVCKF-UDNWOFFPSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@H](NCCC[C@H]1CCO1)C(F)F ZINC000639214745 354826085 /nfs/dbraw/zinc/82/60/85/354826085.db2.gz SAJAIYAMMVJRHW-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN CCC(=O)CCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000234087208 363414828 /nfs/dbraw/zinc/41/48/28/363414828.db2.gz LOVJHYCYIQHING-NEPJUHHUSA-N 0 1 227.348 2.245 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)OC[C@@H]1CC ZINC000234087208 363414830 /nfs/dbraw/zinc/41/48/30/363414830.db2.gz LOVJHYCYIQHING-NEPJUHHUSA-N 0 1 227.348 2.245 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CCC1(C)C ZINC000346200020 354876112 /nfs/dbraw/zinc/87/61/12/354876112.db2.gz QSAJOWFIASONCX-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CCC1(CC)CN(CC2CCC2)CC[S@@]1=O ZINC000346017964 354839960 /nfs/dbraw/zinc/83/99/60/354839960.db2.gz NOHLKXVTLYIJNP-INIZCTEOSA-N 0 1 243.416 2.410 20 0 BEADMN CCC1(CC)CN(CC2CCC2)CC[S@]1=O ZINC000346017963 354840150 /nfs/dbraw/zinc/84/01/50/354840150.db2.gz NOHLKXVTLYIJNP-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1oncc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000335143826 354850729 /nfs/dbraw/zinc/85/07/29/354850729.db2.gz XJPKUXUFVKYBLF-RKDXNWHRSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@H]1COCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000335145385 354854561 /nfs/dbraw/zinc/85/45/61/354854561.db2.gz BYNLWAPJIUFETA-GFCCVEGCSA-N 0 1 246.354 2.039 20 0 BEADMN CC[N@H+]1C[C@H](C)N(Cc2cccnc2C)C[C@@H]1C ZINC000335162985 354916404 /nfs/dbraw/zinc/91/64/04/354916404.db2.gz QSIPABYQEHVUEM-STQMWFEESA-N 0 1 247.386 2.305 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cccc3n[nH]cc32)C1 ZINC000335167842 354928325 /nfs/dbraw/zinc/92/83/25/354928325.db2.gz JHGBFKBETCWSNC-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN CC1(c2noc(C34CCCN3CCC4)n2)CC1 ZINC000335169869 354932621 /nfs/dbraw/zinc/93/26/21/354932621.db2.gz IXOVMHQCQOJNFI-UHFFFAOYSA-N 0 1 233.315 2.206 20 0 BEADMN CCc1ccccc1CN1C[C@H](F)C[C@H]1CO ZINC000346365634 354919047 /nfs/dbraw/zinc/91/90/47/354919047.db2.gz NQNYCRFKKNDKOH-KGLIPLIRSA-N 0 1 237.318 2.154 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c(C)n1 ZINC000335178839 354964532 /nfs/dbraw/zinc/96/45/32/354964532.db2.gz LOQZICMTLOQBQD-UKRRQHHQSA-N 0 1 248.370 2.291 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c(C)n1 ZINC000335178840 354964557 /nfs/dbraw/zinc/96/45/57/354964557.db2.gz LOQZICMTLOQBQD-ZFWWWQNUSA-N 0 1 248.370 2.291 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000346522447 354975069 /nfs/dbraw/zinc/97/50/69/354975069.db2.gz HGLUQNAKUHCHKD-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)[C@@H]1C ZINC000346526145 354976780 /nfs/dbraw/zinc/97/67/80/354976780.db2.gz PJCXNJMKYWTOLD-FVCCEPFGSA-N 0 1 238.375 2.022 20 0 BEADMN c1c[nH]c([C@H]2CCCN2CC[C@H]2CCCO2)n1 ZINC000346532070 354978329 /nfs/dbraw/zinc/97/83/29/354978329.db2.gz SHHLTGFWFVYSSC-VXGBXAGGSA-N 0 1 235.331 2.116 20 0 BEADMN CCn1cc(CNc2ccc3nc[nH]c3c2)cn1 ZINC000346654276 355003797 /nfs/dbraw/zinc/00/37/97/355003797.db2.gz SEYHYYAWHXNXES-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN OC[C@H]1CCCN1Cc1ccsc1Cl ZINC000335206988 355043180 /nfs/dbraw/zinc/04/31/80/355043180.db2.gz SLLSMCLBGFRPIW-SECBINFHSA-N 0 1 231.748 2.358 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000335189532 355021391 /nfs/dbraw/zinc/02/13/91/355021391.db2.gz KWEDWTMCOZJMAY-OCCSQVGLSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1nnc([C@H](C)N2CC(C)(C)C[C@@H]2C)[nH]1 ZINC000335191521 355024457 /nfs/dbraw/zinc/02/44/57/355024457.db2.gz QSSGSPPYNNFSHL-IUCAKERBSA-N 0 1 222.336 2.295 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](CO)[C@H]2C)s1 ZINC000335181129 355077671 /nfs/dbraw/zinc/07/76/71/355077671.db2.gz RNGIAYVIBNDVAN-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC(CF)C1 ZINC000335209803 355046647 /nfs/dbraw/zinc/04/66/47/355046647.db2.gz WBBNKJHZJSPGMW-UHFFFAOYSA-N 0 1 243.665 2.087 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000335214376 355052453 /nfs/dbraw/zinc/05/24/53/355052453.db2.gz BWRUYMILAIBOFD-OAHLLOKOSA-N 0 1 249.329 2.481 20 0 BEADMN CCN(CC(=O)N1CC(C)(C)C[C@H]1C)C1CC1 ZINC000412784808 191316128 /nfs/dbraw/zinc/31/61/28/191316128.db2.gz QRULYHSCRNNRQR-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ncc(CN[C@H](C)c2ccsc2)c(=O)[nH]1 ZINC000346805421 355110132 /nfs/dbraw/zinc/11/01/32/355110132.db2.gz IPIPWQQORQFVEY-MRVPVSSYSA-N 0 1 249.339 2.403 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H](C)N1C ZINC000335979912 134032507 /nfs/dbraw/zinc/03/25/07/134032507.db2.gz FLCTVQADEBKDGS-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cnc(CN2CC(C)(C)C[C@H]2C)nc1 ZINC000335187325 355086112 /nfs/dbraw/zinc/08/61/12/355086112.db2.gz APZZMKPHDRIBQM-LLVKDONJSA-N 0 1 219.332 2.405 20 0 BEADMN CCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346893968 355146428 /nfs/dbraw/zinc/14/64/28/355146428.db2.gz IIAPPJOUYNZVIG-UHFFFAOYSA-N 0 1 230.271 2.210 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)CC1(C)C ZINC000346899563 355148233 /nfs/dbraw/zinc/14/82/33/355148233.db2.gz MNALJPALLWDNHU-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)CC1(C)C ZINC000346911953 355151940 /nfs/dbraw/zinc/15/19/40/355151940.db2.gz PUARPVADHHZGCW-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)n(C)n1 ZINC000335240556 355156289 /nfs/dbraw/zinc/15/62/89/355156289.db2.gz RRZKHVRETZRJGP-GFCCVEGCSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@H](c1nncn1C)N(C)C[C@H]1CC=CCC1 ZINC000346934776 355183095 /nfs/dbraw/zinc/18/30/95/355183095.db2.gz CLXPAKKQARCFFQ-NEPJUHHUSA-N 0 1 234.347 2.164 20 0 BEADMN CCC[C@@H](NC[C@@H](O)C(F)F)c1ccccn1 ZINC000346986985 355186439 /nfs/dbraw/zinc/18/64/39/355186439.db2.gz QMYFFXODSNOYBE-MWLCHTKSSA-N 0 1 244.285 2.138 20 0 BEADMN c1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)no1 ZINC000639232890 355215068 /nfs/dbraw/zinc/21/50/68/355215068.db2.gz QQCPIVBDQSGRHP-QWHCGFSZSA-N 0 1 218.300 2.295 20 0 BEADMN Cc1nc([C@@H](C)Sc2nnc(C)s2)n[nH]1 ZINC000412985088 191330506 /nfs/dbraw/zinc/33/05/06/191330506.db2.gz RRSVVHDCDGHMSB-SCSAIBSYSA-N 0 1 241.345 2.126 20 0 BEADMN COc1cccnc1CN[C@@H](C)[C@H]1CC1(F)F ZINC000639240733 355225556 /nfs/dbraw/zinc/22/55/56/355225556.db2.gz XRMRIZCDPMMLFN-DTWKUNHWSA-N 0 1 242.269 2.224 20 0 BEADMN CC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623219287 355242028 /nfs/dbraw/zinc/24/20/28/355242028.db2.gz USJHPSYBOLOLMU-MVWJERBFSA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@H](CN(C)Cc1cnc(C)s1)OC ZINC000412975011 191346951 /nfs/dbraw/zinc/34/69/51/191346951.db2.gz DHEQZELYQMTVKN-SNVBAGLBSA-N 0 1 228.361 2.308 20 0 BEADMN CC[C@@H](C)N1CCN(Cc2ccns2)CC1 ZINC000639236389 355219237 /nfs/dbraw/zinc/21/92/37/355219237.db2.gz ZEQSRCGSHYTOMV-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN COC(=O)CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347593118 355250059 /nfs/dbraw/zinc/25/00/59/355250059.db2.gz GIKZNSRXYJOXTF-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H]1CC[C@@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000335287639 355256458 /nfs/dbraw/zinc/25/64/58/355256458.db2.gz AFHXLWGGSQZJPR-ONGXEEELSA-N 0 1 243.310 2.020 20 0 BEADMN CC(C)(C)c1nc(CNc2ncccc2F)n[nH]1 ZINC000413402720 191375852 /nfs/dbraw/zinc/37/58/52/191375852.db2.gz BXFCLPUPIMBZHR-UHFFFAOYSA-N 0 1 249.293 2.248 20 0 BEADMN O=c1ccc(CN2CC(CC(F)(F)F)C2)c[nH]1 ZINC000639252821 355289672 /nfs/dbraw/zinc/28/96/72/355289672.db2.gz UYUWYOQRYGWRAX-UHFFFAOYSA-N 0 1 246.232 2.171 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000084128078 355299423 /nfs/dbraw/zinc/29/94/23/355299423.db2.gz ICUCXLYJGRMFOM-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000639258140 355305161 /nfs/dbraw/zinc/30/51/61/355305161.db2.gz ABQMHCNDVBHTRX-AGIUHOORSA-N 0 1 249.358 2.028 20 0 BEADMN FC(F)COC1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639251365 355283900 /nfs/dbraw/zinc/28/39/00/355283900.db2.gz MVVHEEKEUUKNPX-OUAUKWLOSA-N 0 1 245.313 2.389 20 0 BEADMN CCc1ncc(CNC[C@H](OC)[C@@H](C)CC)o1 ZINC000639251895 355287160 /nfs/dbraw/zinc/28/71/60/355287160.db2.gz LNOAEYYUSBRQIR-JQWIXIFHSA-N 0 1 240.347 2.388 20 0 BEADMN CC[C@]1(O)CCN(Cc2cccc(F)c2F)C1 ZINC000335750936 355392117 /nfs/dbraw/zinc/39/21/17/355392117.db2.gz FPNZBKDOZRPSSM-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN CCCCC[S@@](=O)[C@H](C)c1n[nH]c(C)n1 ZINC000414246850 191466842 /nfs/dbraw/zinc/46/68/42/191466842.db2.gz NRUHVTOOYLUBRG-ANRSDYALSA-N 0 1 229.349 2.113 20 0 BEADMN CC(C)O[C@@H]1CCN(Cc2ccns2)C1 ZINC000639282785 355377436 /nfs/dbraw/zinc/37/74/36/355377436.db2.gz RQXRNZYWAUEBQR-SNVBAGLBSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@@H](C)CNCc1ccc(Br)o1 ZINC000191201285 355345318 /nfs/dbraw/zinc/34/53/18/355345318.db2.gz OMGJZDHMGMGVFT-ZETCQYMHSA-N 0 1 248.120 2.167 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000583508469 355346303 /nfs/dbraw/zinc/34/63/03/355346303.db2.gz LGMJBJLMNZISCE-IJLUTSLNSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1nnsc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000639273731 355347622 /nfs/dbraw/zinc/34/76/22/355347622.db2.gz NCKVXKNJSOZDGA-RKDXNWHRSA-N 0 1 235.312 2.085 20 0 BEADMN O[C@H]1CCN(Cc2ccns2)C2(CCC2)C1 ZINC000639274851 355350973 /nfs/dbraw/zinc/35/09/73/355350973.db2.gz FDLSITIKJOKCKX-JTQLQIEISA-N 0 1 238.356 2.023 20 0 BEADMN c1ccc2oc(CN[C@H]3CC34CC4)nc2c1 ZINC000639276836 355353345 /nfs/dbraw/zinc/35/33/45/355353345.db2.gz GQMFUWXLZAWFES-NSHDSACASA-N 0 1 214.268 2.470 20 0 BEADMN C[C@H]1C[C@H]1CNCc1nnc(C2CC2)s1 ZINC000414558966 191535307 /nfs/dbraw/zinc/53/53/07/191535307.db2.gz TZKAMAKJPKFTSB-CBAPKCEASA-N 0 1 223.345 2.161 20 0 BEADMN CCC[C@H](C[N@H+]1C[C@H](C)OC2(CCC2)C1)OC ZINC000639288895 355404881 /nfs/dbraw/zinc/40/48/81/355404881.db2.gz UEAOAVKBLAKOTA-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CCC[C@@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000414628348 191540122 /nfs/dbraw/zinc/54/01/22/191540122.db2.gz NSAZNDWVSVRHFG-RKDXNWHRSA-N 0 1 221.304 2.311 20 0 BEADMN c1ccc(CN2CCOCC3(CCC3)C2)nc1 ZINC000335779122 355406220 /nfs/dbraw/zinc/40/62/20/355406220.db2.gz GBWORQQNEUAEML-UHFFFAOYSA-N 0 1 232.327 2.084 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1nnc2n1CCCC2 ZINC000335783492 355431336 /nfs/dbraw/zinc/43/13/36/355431336.db2.gz BSJJABUKVDRLLE-VXGBXAGGSA-N 0 1 248.374 2.235 20 0 BEADMN CN(Cc1ncccn1)C1CCCCC1 ZINC000335783493 355431347 /nfs/dbraw/zinc/43/13/47/355431347.db2.gz CJKJLSLXNTUAJF-UHFFFAOYSA-N 0 1 205.305 2.241 20 0 BEADMN Cn1ncc(Cl)c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000335792999 355445973 /nfs/dbraw/zinc/44/59/73/355445973.db2.gz INOBGXFELDUBBX-ONGXEEELSA-N 0 1 239.750 2.448 20 0 BEADMN Cn1ncc(Cl)c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000335792999 355445976 /nfs/dbraw/zinc/44/59/76/355445976.db2.gz INOBGXFELDUBBX-ONGXEEELSA-N 0 1 239.750 2.448 20 0 BEADMN C[C@H]1COCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335814785 355503647 /nfs/dbraw/zinc/50/36/47/355503647.db2.gz KYYNCQNXTNZOHM-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN CC(C)(CF)NCc1ccc2c(c1)OCCO2 ZINC000349846104 355472550 /nfs/dbraw/zinc/47/25/50/355472550.db2.gz AGNSRLVTXAGGPR-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)[C@H]1CCCN1C ZINC000335805265 355475765 /nfs/dbraw/zinc/47/57/65/355475765.db2.gz CHARKZAGJIUNRB-QWHCGFSZSA-N 0 1 238.375 2.262 20 0 BEADMN C[C@H](c1cccnc1)N1CCOCC2(CC2)C1 ZINC000335810255 355485272 /nfs/dbraw/zinc/48/52/72/355485272.db2.gz MQJZKENDKLTEMN-GFCCVEGCSA-N 0 1 232.327 2.255 20 0 BEADMN CC(C)[C@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000297412868 191646644 /nfs/dbraw/zinc/64/66/44/191646644.db2.gz YKHNMSCBXHRZLN-NSHDSACASA-N 0 1 245.326 2.243 20 0 BEADMN CCN(CCOC)Cc1cnc2c(C)cccn12 ZINC000349862795 355512181 /nfs/dbraw/zinc/51/21/81/355512181.db2.gz ZFDDICNMQKJFEK-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CCC(CC)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352029470 134044651 /nfs/dbraw/zinc/04/46/51/134044651.db2.gz ROKAYRATCBHCCO-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)OCC[C@@H](O)CN1Cc2ccccc2C1 ZINC000349906111 355524056 /nfs/dbraw/zinc/52/40/56/355524056.db2.gz GKCADFJLMYMBTG-OAHLLOKOSA-N 0 1 249.354 2.178 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCC2)[C@@H](C)CN1C ZINC000352029802 134044790 /nfs/dbraw/zinc/04/47/90/134044790.db2.gz SLDZIEWYLWNLNU-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000350092044 355585950 /nfs/dbraw/zinc/58/59/50/355585950.db2.gz OOIZQALOGYJQOZ-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN CC1=C[C@@H](C)CN(Cc2cn3cccnc3n2)C1 ZINC000335859435 355604480 /nfs/dbraw/zinc/60/44/80/355604480.db2.gz KXDZKDZLYUTYMC-LLVKDONJSA-N 0 1 242.326 2.127 20 0 BEADMN C[C@@H](NC1CCC2(CC2)CC1)c1ncn(C)n1 ZINC000335875730 355645301 /nfs/dbraw/zinc/64/53/01/355645301.db2.gz RTYAJKXNPOCTKT-SNVBAGLBSA-N 0 1 234.347 2.189 20 0 BEADMN C[C@]1(C2CC2)C[N@@H+](CCC[C@H]2CCO2)CCO1 ZINC000639306012 355660508 /nfs/dbraw/zinc/66/05/08/355660508.db2.gz GIYDMEICCMONNJ-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN CCc1ccc(C)nc1NCc1ncnn1CC ZINC000639306249 355660519 /nfs/dbraw/zinc/66/05/19/355660519.db2.gz AGAMBSBOAKOGEU-UHFFFAOYSA-N 0 1 245.330 2.176 20 0 BEADMN C[C@@]1(C2CC2)C[N@@H+](CCC[C@H]2CCO2)CCO1 ZINC000639306010 355660727 /nfs/dbraw/zinc/66/07/27/355660727.db2.gz GIYDMEICCMONNJ-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@]1(C2CC2)C[N@@H+](CCC[C@@H]2CCO2)CCO1 ZINC000639306011 355660759 /nfs/dbraw/zinc/66/07/59/355660759.db2.gz GIYDMEICCMONNJ-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H](NC1CC(n2cccn2)C1)c1cscn1 ZINC000639308453 355663646 /nfs/dbraw/zinc/66/36/46/355663646.db2.gz GQPHUCWEVKGFHC-KPPDAEKUSA-N 0 1 248.355 2.394 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ncccn1 ZINC000335862804 355626128 /nfs/dbraw/zinc/62/61/28/355626128.db2.gz IQVDYDGWBMZOPK-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN NC(=O)[C@@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000328884069 181203982 /nfs/dbraw/zinc/20/39/82/181203982.db2.gz MPYOLRJISGYOIO-NEPJUHHUSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335870990 355636784 /nfs/dbraw/zinc/63/67/84/355636784.db2.gz QOEHKSFGWCHBJO-MWLCHTKSSA-N 0 1 247.342 2.087 20 0 BEADMN Fc1cccc(CNC2CSC2)c1F ZINC000639324513 355718963 /nfs/dbraw/zinc/71/89/63/355718963.db2.gz MXERRMVFANWMIN-UHFFFAOYSA-N 0 1 215.268 2.170 20 0 BEADMN C[C@@H]1CCN(Cc2ccns2)C[C@H](C)O1 ZINC000639320130 355720644 /nfs/dbraw/zinc/72/06/44/355720644.db2.gz GKJVPSGUAYDREZ-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000335890283 355682419 /nfs/dbraw/zinc/68/24/19/355682419.db2.gz WFWSLLNYPDNXBG-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN CC(C)c1nc(CN2CCCC3(CC3)C2)n[nH]1 ZINC000335893390 355687166 /nfs/dbraw/zinc/68/71/66/355687166.db2.gz LMVFKGUKDSMEHZ-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN C[C@H](O)[C@H](NCc1ccns1)c1ccccc1 ZINC000639332560 355759769 /nfs/dbraw/zinc/75/97/69/355759769.db2.gz NBZIQBHEOWOTIH-GWCFXTLKSA-N 0 1 248.351 2.355 20 0 BEADMN Cc1ncc(C(=O)N2C3CCCC2CCC3)[nH]1 ZINC000608471591 355761664 /nfs/dbraw/zinc/76/16/64/355761664.db2.gz YLHKOSFRXXLKTI-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN C[C@@H]1C[C@H]1CN1Cc2ccccc2N(C)C(=O)C1 ZINC000623247708 355774626 /nfs/dbraw/zinc/77/46/26/355774626.db2.gz KWNZAMUVIJDAKJ-YPMHNXCESA-N 0 1 244.338 2.121 20 0 BEADMN C[C@@H]1C[C@@H]1CN1Cc2ccccc2N(C)C(=O)C1 ZINC000623247706 355775135 /nfs/dbraw/zinc/77/51/35/355775135.db2.gz KWNZAMUVIJDAKJ-DGCLKSJQSA-N 0 1 244.338 2.121 20 0 BEADMN CCC(C)(C)OC1CN(C[C@H](OC)C2CC2)C1 ZINC000639348771 355789758 /nfs/dbraw/zinc/78/97/58/355789758.db2.gz IJVGDUBQNKCVDL-ZDUSSCGKSA-N 0 1 241.375 2.301 20 0 BEADMN O=c1ccc(CN2CC(Cc3ccco3)C2)c[nH]1 ZINC000639348898 355789875 /nfs/dbraw/zinc/78/98/75/355789875.db2.gz GBXJUAVLECQEJY-UHFFFAOYSA-N 0 1 244.294 2.055 20 0 BEADMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cccnc1 ZINC000035126595 355840002 /nfs/dbraw/zinc/84/00/02/355840002.db2.gz PFLZNRNMTUBUMH-SECBINFHSA-N 0 1 243.266 2.348 20 0 BEADMN Cc1ccccc1CN(C)[C@H]1CCCCNC1=O ZINC000009711301 355869852 /nfs/dbraw/zinc/86/98/52/355869852.db2.gz FOSBITLGQOSNQG-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@@H]2CCC[C@H]21 ZINC000294820629 355873134 /nfs/dbraw/zinc/87/31/34/355873134.db2.gz QJYZQOHEYFYMHN-MWLCHTKSSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC000608501017 355829522 /nfs/dbraw/zinc/82/95/22/355829522.db2.gz GSMLYFGEFVSLON-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN COCC1(C2CC2)CN(Cc2occc2C)C1 ZINC000639379666 355915389 /nfs/dbraw/zinc/91/53/89/355915389.db2.gz JLJVJSBMHUIRTC-UHFFFAOYSA-N 0 1 235.327 2.446 20 0 BEADMN CC1(NCc2cc3ccncc3s2)COC1 ZINC000639380396 355917430 /nfs/dbraw/zinc/91/74/30/355917430.db2.gz DYCZSKKLAKONCD-UHFFFAOYSA-N 0 1 234.324 2.175 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccco2)C1 ZINC000639380035 355918378 /nfs/dbraw/zinc/91/83/78/355918378.db2.gz MVYJUJGWRWLERL-UHFFFAOYSA-N 0 1 221.300 2.138 20 0 BEADMN CC1(NCc2cccc3[nH]ccc32)COC1 ZINC000639381854 355924653 /nfs/dbraw/zinc/92/46/53/355924653.db2.gz JUVFCNRTXHYDHY-UHFFFAOYSA-N 0 1 216.284 2.046 20 0 BEADMN Cc1nnc(CN[C@H](C)C(C)(C)C)s1 ZINC000389250667 355936188 /nfs/dbraw/zinc/93/61/88/355936188.db2.gz CHBXOJLYZNGPDL-SSDOTTSWSA-N 0 1 213.350 2.371 20 0 BEADMN C[C@H]1CN(c2ccnc3cc(F)ccc32)C[C@H]1O ZINC000351507406 356005669 /nfs/dbraw/zinc/00/56/69/356005669.db2.gz YOEATEKVIXTNCJ-LKFCYVNXSA-N 0 1 246.285 2.191 20 0 BEADMN CC1CC(n2nnc3c2CN(CC2CC2)CC3)C1 ZINC000639383341 355949973 /nfs/dbraw/zinc/94/99/73/355949973.db2.gz ALRGMJMLGOZRBZ-UHFFFAOYSA-N 0 1 246.358 2.017 20 0 BEADMN CC[C@]1(O)CCCN(Cc2nc(C)cs2)C1 ZINC000639384665 355967459 /nfs/dbraw/zinc/96/74/59/355967459.db2.gz ITXWYJUPHKKECP-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN COCCN(Cc1ccon1)[C@@H]1CC[C@H](C)C1 ZINC000351645761 356043433 /nfs/dbraw/zinc/04/34/33/356043433.db2.gz DZOQJURQNQAZAB-WCQYABFASA-N 0 1 238.331 2.312 20 0 BEADMN COC(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000351681549 356055089 /nfs/dbraw/zinc/05/50/89/356055089.db2.gz YVRXCVNIEWNWEA-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN COC(=O)CN1CCCC[C@H]1CCC(C)C ZINC000351681550 356055222 /nfs/dbraw/zinc/05/52/22/356055222.db2.gz YVRXCVNIEWNWEA-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@@H](C3CC3)C2)o1 ZINC000335912007 356128066 /nfs/dbraw/zinc/12/80/66/356128066.db2.gz BPXPJDSGKLGZEC-LDYMZIIASA-N 0 1 221.304 2.171 20 0 BEADMN CN(C)C(=O)c1ccccc1CN1CC(C)(C)C1 ZINC000639393669 356071650 /nfs/dbraw/zinc/07/16/50/356071650.db2.gz RNOZHWDBBCJFDY-UHFFFAOYSA-N 0 1 246.354 2.230 20 0 BEADMN CCOC(=O)[C@H]1CCCCN1CC[C@@H](C)F ZINC000351862249 356099718 /nfs/dbraw/zinc/09/97/18/356099718.db2.gz UALVUPMVTVRPPS-GHMZBOCLSA-N 0 1 231.311 2.152 20 0 BEADMN CN1c2ccccc2CN(C2CCCC2)CC1=O ZINC000623262194 356162743 /nfs/dbraw/zinc/16/27/43/356162743.db2.gz RRAWOTTUHBPVBZ-UHFFFAOYSA-N 0 1 244.338 2.408 20 0 BEADMN Cc1cc(F)ccc1CN(C)C(=O)c1cnc[nH]1 ZINC000336093166 134079384 /nfs/dbraw/zinc/07/93/84/134079384.db2.gz XUWJXHYYBDXNIF-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)Cc1cc(C)n[nH]1 ZINC000617570483 356133355 /nfs/dbraw/zinc/13/33/55/356133355.db2.gz RIROMNMZLVDTGM-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN CC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000639433097 356211472 /nfs/dbraw/zinc/21/14/72/356211472.db2.gz DXDBQEPFJQMNGP-SNVBAGLBSA-N 0 1 209.314 2.474 20 0 BEADMN CC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000639433097 356211475 /nfs/dbraw/zinc/21/14/75/356211475.db2.gz DXDBQEPFJQMNGP-SNVBAGLBSA-N 0 1 209.314 2.474 20 0 BEADMN CCC(F)(F)CN1CCN(C(C)C)CC1 ZINC000639440632 356217718 /nfs/dbraw/zinc/21/77/18/356217718.db2.gz QHLBIBXJZZPNNH-UHFFFAOYSA-N 0 1 220.307 2.058 20 0 BEADMN CC[C@H](C)CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000617634247 356218207 /nfs/dbraw/zinc/21/82/07/356218207.db2.gz SBQQPHIRFVMYFL-VIFPVBQESA-N 0 1 246.314 2.124 20 0 BEADMN COC[C@@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000526114284 356225768 /nfs/dbraw/zinc/22/57/68/356225768.db2.gz HLPIRZWULUFTBE-DZGCQCFKSA-N 0 1 249.354 2.342 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H]1CC(C)(C)CO1 ZINC000639451120 356236358 /nfs/dbraw/zinc/23/63/58/356236358.db2.gz BNBABCZERMERDF-XQQFMLRXSA-N 0 1 241.375 2.301 20 0 BEADMN CC1(C)CN(Cc2ccc3c(c2)CCO3)C1 ZINC000639407372 356201120 /nfs/dbraw/zinc/20/11/20/356201120.db2.gz YCPMAHPUTCBUGK-UHFFFAOYSA-N 0 1 217.312 2.463 20 0 BEADMN CC[C@H]1CCCN1Cc1nc(CC2CC2)no1 ZINC000639470632 356257548 /nfs/dbraw/zinc/25/75/48/356257548.db2.gz IFSRFRGMOZTSIU-NSHDSACASA-N 0 1 235.331 2.397 20 0 BEADMN CC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000639471986 356261944 /nfs/dbraw/zinc/26/19/44/356261944.db2.gz IWQUBGNTHIRVNV-NSHDSACASA-N 0 1 205.301 2.311 20 0 BEADMN C(c1noc(CN2CCC[C@H]2C2CC2)n1)C1CC1 ZINC000639475557 356270216 /nfs/dbraw/zinc/27/02/16/356270216.db2.gz YRFUWSMCYMLBSX-LBPRGKRZSA-N 0 1 247.342 2.397 20 0 BEADMN Cc1nc(CN(C)c2ccc(F)c(F)c2)n[nH]1 ZINC000336114793 134088133 /nfs/dbraw/zinc/08/81/33/134088133.db2.gz BHKOHSWACGVHOF-UHFFFAOYSA-N 0 1 238.241 2.028 20 0 BEADMN CN(Cc1ccoc1)Cc1cc[nH]c(=O)c1 ZINC000639459484 356247619 /nfs/dbraw/zinc/24/76/19/356247619.db2.gz LXZIXPLIQNUGLE-UHFFFAOYSA-N 0 1 218.256 2.012 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639480186 356294320 /nfs/dbraw/zinc/29/43/20/356294320.db2.gz GIZHQAZGGLYQGC-LURJTMIESA-N 0 1 243.257 2.218 20 0 BEADMN CCC[N@@H+](C[C@@H]1CCCCO1)[C@@H](CC)C(=O)[O-] ZINC000420278913 192198043 /nfs/dbraw/zinc/19/80/43/192198043.db2.gz WOBGQWNLWPJELM-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2nc(CC3CC3)no2)C1 ZINC000639493785 356316529 /nfs/dbraw/zinc/31/65/29/356316529.db2.gz CUYXRGJJVQLMSI-ZJUUUORDSA-N 0 1 235.331 2.252 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000352400311 356337805 /nfs/dbraw/zinc/33/78/05/356337805.db2.gz XBQGRUYDBLCHGO-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC1(CN2CC[S@@](=O)CC2(C)C)CCC1 ZINC000336136885 134096400 /nfs/dbraw/zinc/09/64/00/134096400.db2.gz XMKUBIFXBDTROO-OAHLLOKOSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@@H]1CCN(CC2(C)CCC2)CC[S@]1=O ZINC000336137896 134096596 /nfs/dbraw/zinc/09/65/96/134096596.db2.gz UBQWYDUDMWTOBC-IAQYHMDHSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@@H]1CCCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000336138877 134096602 /nfs/dbraw/zinc/09/66/02/134096602.db2.gz RABHBRNULSJNKK-SNVBAGLBSA-N 0 1 236.363 2.477 20 0 BEADMN C[C@H]1CCCCN1Cc1n[nH]c(C(C)(C)C)n1 ZINC000336138876 134096809 /nfs/dbraw/zinc/09/68/09/134096809.db2.gz RABHBRNULSJNKK-JTQLQIEISA-N 0 1 236.363 2.477 20 0 BEADMN CC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000639515493 356352365 /nfs/dbraw/zinc/35/23/65/356352365.db2.gz YJSCZLOWSDAXPH-GFCCVEGCSA-N 0 1 221.275 2.204 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639538507 356391041 /nfs/dbraw/zinc/39/10/41/356391041.db2.gz QEQLUHFZIIKZRC-SSDOTTSWSA-N 0 1 245.273 2.464 20 0 BEADMN CCC[C@@H]1CN(Cc2cccc(N)c2)CCO1 ZINC000420362517 192222243 /nfs/dbraw/zinc/22/22/43/192222243.db2.gz OMAQKBLYXJOIAC-CQSZACIVSA-N 0 1 234.343 2.270 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)OCC12CCC2 ZINC000649822059 491091147 /nfs/dbraw/zinc/09/11/47/491091147.db2.gz XSNHEHURNXUZHX-LBPRGKRZSA-N 0 1 239.359 2.389 20 0 BEADMN CC[C@]1(C)COCCN1C[C@H]1CC(C)(C)CO1 ZINC000639550923 356429754 /nfs/dbraw/zinc/42/97/54/356429754.db2.gz DTJPVINJNPMABK-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@@H]1CC(C)(C)CO1 ZINC000639550920 356430438 /nfs/dbraw/zinc/43/04/38/356430438.db2.gz DTJPVINJNPMABK-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H](F)CCN1CCN(c2nccs2)CC1 ZINC000580354951 356433084 /nfs/dbraw/zinc/43/30/84/356433084.db2.gz AGCJRLPUOHZHST-SNVBAGLBSA-N 0 1 243.351 2.013 20 0 BEADMN CCc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])nc1 ZINC000379283004 356439839 /nfs/dbraw/zinc/43/98/39/356439839.db2.gz RLFLDKRHEVXDST-ZDUSSCGKSA-N 0 1 248.326 2.083 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000639551997 356439951 /nfs/dbraw/zinc/43/99/51/356439951.db2.gz VTXAPYGIGVWUQQ-AVGNSLFASA-N 0 1 234.343 2.499 20 0 BEADMN CC(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000639563636 356480323 /nfs/dbraw/zinc/48/03/23/356480323.db2.gz YAFZTXFFACUWJK-LLVKDONJSA-N 0 1 209.314 2.378 20 0 BEADMN CC(=O)CN[C@H](c1cccs1)C1CC1 ZINC000639563638 356480580 /nfs/dbraw/zinc/48/05/80/356480580.db2.gz YAFZTXFFACUWJK-NSHDSACASA-N 0 1 209.314 2.378 20 0 BEADMN CC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000639567495 356488244 /nfs/dbraw/zinc/48/82/44/356488244.db2.gz RLTHBNANFJOBHV-ZFWWWQNUSA-N 0 1 247.338 2.333 20 0 BEADMN CC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000639567735 356490362 /nfs/dbraw/zinc/49/03/62/356490362.db2.gz WBDNHNHWOIFURF-LBPRGKRZSA-N 0 1 243.310 2.112 20 0 BEADMN CC(=O)CN1CCc2ccccc2C1(C)C ZINC000639561932 356477236 /nfs/dbraw/zinc/47/72/36/356477236.db2.gz PXAYGQIPRYVAPE-UHFFFAOYSA-N 0 1 217.312 2.369 20 0 BEADMN C[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C[C@@H]1F ZINC000639571206 356495185 /nfs/dbraw/zinc/49/51/85/356495185.db2.gz HBWGMTNCTWGFJU-WOPDTQHZSA-N 0 1 229.339 2.481 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@H]1CCCOC1 ZINC000336175576 134114492 /nfs/dbraw/zinc/11/44/92/134114492.db2.gz IISNWSDWGQPCCY-QWHCGFSZSA-N 0 1 234.343 2.291 20 0 BEADMN Cc1cnc([C@H](C)NCc2cc[nH]c(=O)c2)s1 ZINC000639585262 356508795 /nfs/dbraw/zinc/50/87/95/356508795.db2.gz ZXBOYTCNPFTIRQ-VIFPVBQESA-N 0 1 249.339 2.403 20 0 BEADMN C[C@@H]1C[C@@H]1CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291786 356510257 /nfs/dbraw/zinc/51/02/57/356510257.db2.gz SMFNSXUHGGDIRG-NTZNESFSSA-N 0 1 244.338 2.485 20 0 BEADMN CCc1nnc(C[N@H+]2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000420959754 192280775 /nfs/dbraw/zinc/28/07/75/192280775.db2.gz FIJYGCIIGWGERS-GFCCVEGCSA-N 0 1 248.374 2.379 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C3CCCC3)C2)[nH]1 ZINC000420959754 192280777 /nfs/dbraw/zinc/28/07/77/192280777.db2.gz FIJYGCIIGWGERS-GFCCVEGCSA-N 0 1 248.374 2.379 20 0 BEADMN CC(=O)N1CCN(CC2=CCCCC2)[C@H](C)C1 ZINC000336186146 134121678 /nfs/dbraw/zinc/12/16/78/134121678.db2.gz ANDDGENWUYCKPA-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H]1CCC[C@@H]1NCc1nc(CC2CC2)no1 ZINC000639612359 356537132 /nfs/dbraw/zinc/53/71/32/356537132.db2.gz HGKAQXSSIIVXFB-ONGXEEELSA-N 0 1 235.331 2.300 20 0 BEADMN COC[C@@H]1CCCN(Cc2cscn2)CC1 ZINC000449772117 202030201 /nfs/dbraw/zinc/03/02/01/202030201.db2.gz GNKMTFLHBRQAGX-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN CCC(F)(F)CN1CCN(C)C(C)(C)C1 ZINC000639622949 356542642 /nfs/dbraw/zinc/54/26/42/356542642.db2.gz LLLUABLSLJBQBT-UHFFFAOYSA-N 0 1 220.307 2.058 20 0 BEADMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1N(C)C ZINC000421013306 192301943 /nfs/dbraw/zinc/30/19/43/192301943.db2.gz JXIKONVWZJYDNB-OCCSQVGLSA-N 0 1 248.370 2.098 20 0 BEADMN C[C@H]1CC[N@H+](C2CC(OC(C)(C)C)C2)C[C@H]1O ZINC000336198276 134127154 /nfs/dbraw/zinc/12/71/54/134127154.db2.gz CYJZWMFADVTUPE-YWPUVAFDSA-N 0 1 241.375 2.035 20 0 BEADMN C[C@@H]1CC[N@H+](C2CC(OC(C)(C)C)C2)C[C@@H]1O ZINC000336198275 134127164 /nfs/dbraw/zinc/12/71/64/134127164.db2.gz CYJZWMFADVTUPE-XVSSEFHLSA-N 0 1 241.375 2.035 20 0 BEADMN c1ccc(OCCC[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421018156 192304021 /nfs/dbraw/zinc/30/40/21/192304021.db2.gz KRYWBKZZAJWZHE-OAHLLOKOSA-N 0 1 247.338 2.320 20 0 BEADMN CC[C@@H](NCc1cc(Cl)cs1)C(=O)NC ZINC000449775849 202031623 /nfs/dbraw/zinc/03/16/23/202031623.db2.gz NYSURAGMUPUBMY-SECBINFHSA-N 0 1 246.763 2.016 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000449828420 202042180 /nfs/dbraw/zinc/04/21/80/202042180.db2.gz WYZBEWDNQLHHOG-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(F)(F)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000639654553 356559430 /nfs/dbraw/zinc/55/94/30/356559430.db2.gz JRBCVNGETKCJBH-LLVKDONJSA-N 0 1 234.334 2.304 20 0 BEADMN CCC(F)(F)CN1CCN(C)C[C@@H]1C(C)C ZINC000639654553 356559431 /nfs/dbraw/zinc/55/94/31/356559431.db2.gz JRBCVNGETKCJBH-LLVKDONJSA-N 0 1 234.334 2.304 20 0 BEADMN CCOc1ccccc1CN1CC[C@]12CCOC2 ZINC000421039388 192311171 /nfs/dbraw/zinc/31/11/71/192311171.db2.gz VJFLZRUTKAZLGJ-OAHLLOKOSA-N 0 1 247.338 2.450 20 0 BEADMN Cc1c(Cl)c(CNC[C@H]2C[C@@H]2C)nn1C ZINC000421324539 192318460 /nfs/dbraw/zinc/31/84/60/192318460.db2.gz IMKMYPIZPJTLAF-IONNQARKSA-N 0 1 227.739 2.128 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CC(C)(C)CO1 ZINC000639660737 356569490 /nfs/dbraw/zinc/56/94/90/356569490.db2.gz LTIBQCUAJTUIIJ-CYBMUJFWSA-N 0 1 234.343 2.329 20 0 BEADMN Cc1c(Cl)c(CNCC(C)C)nn1C ZINC000421320269 192316601 /nfs/dbraw/zinc/31/66/01/192316601.db2.gz AIPUFDXYJVESEI-UHFFFAOYSA-N 0 1 215.728 2.128 20 0 BEADMN C[C@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336219127 134138361 /nfs/dbraw/zinc/13/83/61/134138361.db2.gz BPLVSIZFURUMCL-MUWHJKNJSA-N 0 1 245.244 2.062 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC1(C)C ZINC000352291414 134139335 /nfs/dbraw/zinc/13/93/35/134139335.db2.gz XWYXNDOLMUVQEM-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000639664453 356578365 /nfs/dbraw/zinc/57/83/65/356578365.db2.gz GVTLOWBFYBJPGS-ZETCQYMHSA-N 0 1 243.257 2.362 20 0 BEADMN C[C@@H]1[C@H](C)N(CCCCCF)[C@@H](C)C(=O)N1C ZINC000639688279 356597639 /nfs/dbraw/zinc/59/76/39/356597639.db2.gz FYNBETMXXMMKLQ-WOPDTQHZSA-N 0 1 244.354 2.066 20 0 BEADMN CCC(F)(F)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000639693016 356602484 /nfs/dbraw/zinc/60/24/84/356602484.db2.gz KLLMXDDWBFPDRA-ZJUUUORDSA-N 0 1 219.275 2.143 20 0 BEADMN CC(=O)CNC1(c2cccc(F)c2)CCC1 ZINC000639694094 356604012 /nfs/dbraw/zinc/60/40/12/356604012.db2.gz RRKHGWKDYUIEMV-UHFFFAOYSA-N 0 1 221.275 2.384 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1cn(CC2CC2)nn1 ZINC000450247517 202105838 /nfs/dbraw/zinc/10/58/38/202105838.db2.gz YKHIXQIIWBCNGW-LLVKDONJSA-N 0 1 236.363 2.164 20 0 BEADMN CCOc1ccccc1CNC1CSC1 ZINC000379980782 538463398 /nfs/dbraw/zinc/46/33/98/538463398.db2.gz HHVVFSOHMPRNQO-UHFFFAOYSA-N 0 1 223.341 2.290 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)N1CC(N(C)C)C1 ZINC000450297987 202122857 /nfs/dbraw/zinc/12/28/57/202122857.db2.gz KTGUOZPKZXMWKS-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1Cc2ccccc2CN1Cc1ccnn1C ZINC000179804766 366311319 /nfs/dbraw/zinc/31/13/19/366311319.db2.gz PEEDHPIEIJZSJC-LBPRGKRZSA-N 0 1 241.338 2.367 20 0 BEADMN C[C@@H]1CC[C@@H](O)CN1Cc1cc(F)cc(F)c1 ZINC000399488021 356665136 /nfs/dbraw/zinc/66/51/36/356665136.db2.gz SGVIHMRFJCJNGA-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@@H](CC)C1 ZINC000450384879 202148504 /nfs/dbraw/zinc/14/85/04/202148504.db2.gz BYVABGUWRPXHQI-AAEUAGOBSA-N 0 1 227.348 2.245 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000035297234 356704181 /nfs/dbraw/zinc/70/41/81/356704181.db2.gz JBQMFVMOYTVBOB-YOIVXCQUSA-N 0 1 245.322 2.496 20 0 BEADMN Cc1cccnc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639779152 356726519 /nfs/dbraw/zinc/72/65/19/356726519.db2.gz YHRVNGMHFJQIOP-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN C/C=C/CNCc1cc(C(=O)OC)c(C)o1 ZINC000384706937 356726796 /nfs/dbraw/zinc/72/67/96/356726796.db2.gz CKXNOGSJPFGYTG-SNAWJCMRSA-N 0 1 223.272 2.040 20 0 BEADMN c1n[nH]cc1[C@@H]1CCCN1Cc1ccccn1 ZINC000639781073 356729909 /nfs/dbraw/zinc/72/99/09/356729909.db2.gz KMMIZMCFSKKVKU-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN CN(CCc1cccnc1)Cc1ccns1 ZINC000639790052 356743085 /nfs/dbraw/zinc/74/30/85/356743085.db2.gz ZSBGZEGAZLBUQA-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN c1n[nH]cc1[C@H]1CCCN1Cc1cccnc1 ZINC000639782646 356732147 /nfs/dbraw/zinc/73/21/47/356732147.db2.gz VSYDBAXHMAZWKE-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1cc(CN[C@@H]2CCC(F)(F)C2)on1 ZINC000380360417 356746533 /nfs/dbraw/zinc/74/65/33/356746533.db2.gz YFTMWYJUJDRCRO-MRVPVSSYSA-N 0 1 216.231 2.260 20 0 BEADMN CCc1nnc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000355047798 356748256 /nfs/dbraw/zinc/74/82/56/356748256.db2.gz IQXXBKYDSVZIBE-SNVBAGLBSA-N 0 1 236.363 2.235 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000355047798 356748260 /nfs/dbraw/zinc/74/82/60/356748260.db2.gz IQXXBKYDSVZIBE-SNVBAGLBSA-N 0 1 236.363 2.235 20 0 BEADMN CO[C@H](CN(C)Cc1ccns1)C1CCC1 ZINC000639810377 356788297 /nfs/dbraw/zinc/78/82/97/356788297.db2.gz WFOXSAOZCHSUPX-GFCCVEGCSA-N 0 1 240.372 2.390 20 0 BEADMN CCN(Cc1cocn1)[C@@H]1CCOC(C)(C)C1 ZINC000356255816 356791954 /nfs/dbraw/zinc/79/19/54/356791954.db2.gz JFUGARWCMSQOBK-GFCCVEGCSA-N 0 1 238.331 2.454 20 0 BEADMN CCc1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000357030372 356812323 /nfs/dbraw/zinc/81/23/23/356812323.db2.gz SLTZASMZMVQNEZ-UHFFFAOYSA-N 0 1 249.289 2.500 20 0 BEADMN CC(C)CN(C)Cc1nc(-c2ccoc2)no1 ZINC000357259386 356820654 /nfs/dbraw/zinc/82/06/54/356820654.db2.gz SHKIUWBQSJAOEW-UHFFFAOYSA-N 0 1 235.287 2.417 20 0 BEADMN CO[C@@H]1CN(C[C@H]2CCC[C@H](C)C2)CCO1 ZINC000639836795 356823894 /nfs/dbraw/zinc/82/38/94/356823894.db2.gz JNIOWONYGBEDMP-AVGNSLFASA-N 0 1 227.348 2.117 20 0 BEADMN Cc1cccc2nc(CNC(=O)[C@H]3C[C@H]3C)[nH]c21 ZINC000155034865 538699571 /nfs/dbraw/zinc/69/95/71/538699571.db2.gz GMDRRBPZZSFCLF-ZJUUUORDSA-N 0 1 243.310 2.144 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1c[nH]cn1 ZINC000358507101 356869917 /nfs/dbraw/zinc/86/99/17/356869917.db2.gz NCIWHBKMUFRJGW-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN CCc1cnccc1[C@@H](C)NCc1c[nH]cn1 ZINC000358507102 356870017 /nfs/dbraw/zinc/87/00/17/356870017.db2.gz NCIWHBKMUFRJGW-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2C[C@H](O)C2(C)C)n1 ZINC000166420731 538729982 /nfs/dbraw/zinc/72/99/82/538729982.db2.gz SUGIKJOOABDKLU-GUBZILKMSA-N 0 1 240.372 2.262 20 0 BEADMN COCCCCN1CCC[C@@H]1c1ncccn1 ZINC000639842373 356836537 /nfs/dbraw/zinc/83/65/37/356836537.db2.gz DGNGJOCSAZWARY-GFCCVEGCSA-N 0 1 235.331 2.040 20 0 BEADMN c1ccc(CN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000054346448 363569447 /nfs/dbraw/zinc/56/94/47/363569447.db2.gz NAZRRTFSFJITSR-KBPBESRZSA-N 0 1 217.312 2.440 20 0 BEADMN CCC[C@H](CC)NC(=O)CCc1cnc[nH]1 ZINC000352540473 538722685 /nfs/dbraw/zinc/72/26/85/538722685.db2.gz LNVBHEKPZZCQKX-JTQLQIEISA-N 0 1 223.320 2.037 20 0 BEADMN CC[N@@H+](Cc1ccccc1N(C)C)[C@@H]1CCOC1 ZINC000361251569 356923414 /nfs/dbraw/zinc/92/34/14/356923414.db2.gz OFFZNAMKVQFOCS-CQSZACIVSA-N 0 1 248.370 2.363 20 0 BEADMN CC(C)CC[C@H](O)CN1CCO[C@H](C(C)C)C1 ZINC000361312268 356925711 /nfs/dbraw/zinc/92/57/11/356925711.db2.gz RHKHUQSUTBITGM-KBPBESRZSA-N 0 1 243.391 2.140 20 0 BEADMN CCN(Cc1nc2ccccc2o1)[C@H]1CCOC1 ZINC000361596296 356934328 /nfs/dbraw/zinc/93/43/28/356934328.db2.gz RXVUWQCOTIWDDL-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN CC(C)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361663697 356935658 /nfs/dbraw/zinc/93/56/58/356935658.db2.gz VTMCETNPHLBARF-HNNXBMFYSA-N 0 1 249.354 2.422 20 0 BEADMN CCC[C@@H](CNCc1cnc(C)o1)OCC ZINC000628381850 356936966 /nfs/dbraw/zinc/93/69/66/356936966.db2.gz VXAVHLIZAYUJHV-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN Cc1nnc(CN2CCC3(C2)CCCCC3)n1C ZINC000129902370 357030825 /nfs/dbraw/zinc/03/08/25/357030825.db2.gz IROKQQXGAHYAEX-UHFFFAOYSA-N 0 1 248.374 2.280 20 0 BEADMN CC(C)(C)[C@H](O)CN1CCC[C@@H]1c1ncccn1 ZINC000639872804 357044807 /nfs/dbraw/zinc/04/48/07/357044807.db2.gz RISDBZTXQGPTAL-VXGBXAGGSA-N 0 1 249.358 2.021 20 0 BEADMN c1cnc([C@@H]2CCCN2CC[C@@H]2CCCO2)nc1 ZINC000639874158 357053053 /nfs/dbraw/zinc/05/30/53/357053053.db2.gz WROHJDRTCPXOEF-STQMWFEESA-N 0 1 247.342 2.183 20 0 BEADMN COCC(C)(C)CN[C@H](C)c1cscn1 ZINC000389604057 357002811 /nfs/dbraw/zinc/00/28/11/357002811.db2.gz WWVWMZCIVJDWIJ-SECBINFHSA-N 0 1 228.361 2.466 20 0 BEADMN CC(=O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000639879794 357113375 /nfs/dbraw/zinc/11/33/75/357113375.db2.gz QIIOEBSSCFJWQC-AWEZNQCLSA-N 0 1 217.312 2.490 20 0 BEADMN COc1ccc(CNCC2(F)CC2)cc1F ZINC000390410440 357097746 /nfs/dbraw/zinc/09/77/46/357097746.db2.gz DPZAOIQWPZPOOF-UHFFFAOYSA-N 0 1 227.254 2.426 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(C)ccc1F ZINC000390524024 357100448 /nfs/dbraw/zinc/10/04/48/357100448.db2.gz GEQFUCUIOKLSMY-OLZOCXBDSA-N 0 1 223.291 2.401 20 0 BEADMN CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](O)C1 ZINC000304336116 357162792 /nfs/dbraw/zinc/16/27/92/357162792.db2.gz WDLDKIOERQPSRL-GWCFXTLKSA-N 0 1 241.281 2.483 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC000628407326 357204522 /nfs/dbraw/zinc/20/45/22/357204522.db2.gz DHDLZTMOELQFPJ-AOOOYVTPSA-N 0 1 209.239 2.417 20 0 BEADMN CC1(C)CO[C@H](CN2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000639893095 357223956 /nfs/dbraw/zinc/22/39/56/357223956.db2.gz ODNPJUMXRQPBMB-RWMBFGLXSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)CCc1cnc[nH]1 ZINC000356249485 538809415 /nfs/dbraw/zinc/80/94/15/538809415.db2.gz FSIOHHAPOHCNPE-JTQLQIEISA-N 0 1 235.331 2.037 20 0 BEADMN CC[C@@H](NCC(C)(C)F)c1cnn(C)c1 ZINC000631659508 357188217 /nfs/dbraw/zinc/18/82/17/357188217.db2.gz RGIFHOQPDFJYOO-SNVBAGLBSA-N 0 1 213.300 2.209 20 0 BEADMN Cc1cnc([C@H](N[C@@H]2CCOC2)C2CC2)s1 ZINC000168315259 134195890 /nfs/dbraw/zinc/19/58/90/134195890.db2.gz KNTWZDLVOCJIDK-GHMZBOCLSA-N 0 1 238.356 2.281 20 0 BEADMN COC1(CN2CC3(C2)CCCO3)CCCCC1 ZINC000628427496 357255633 /nfs/dbraw/zinc/25/56/33/357255633.db2.gz GHRNNZRTOKIKFK-UHFFFAOYSA-N 0 1 239.359 2.201 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)[C@H]1C ZINC000639902993 357328189 /nfs/dbraw/zinc/32/81/89/357328189.db2.gz MFLMHTSRNMTJBV-RQJHMYQMSA-N 0 1 243.257 2.218 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cn2ccccc2n1 ZINC000582736209 357376773 /nfs/dbraw/zinc/37/67/73/357376773.db2.gz VGGXBBGDWFUSDG-WOPDTQHZSA-N 0 1 245.326 2.162 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1cnccn1 ZINC000582950244 357444001 /nfs/dbraw/zinc/44/40/01/357444001.db2.gz NVHRRVMYAXMESU-QMMMGPOBSA-N 0 1 233.237 2.297 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCC1=CCCCC1 ZINC000395354270 357427339 /nfs/dbraw/zinc/42/73/39/357427339.db2.gz GQQDYZPWOXZPNL-JTQLQIEISA-N 0 1 211.305 2.282 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000582971349 357448025 /nfs/dbraw/zinc/44/80/25/357448025.db2.gz YEFOZPXJVBUOBJ-CMPLNLGQSA-N 0 1 231.311 2.167 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000582971417 357448246 /nfs/dbraw/zinc/44/82/46/357448246.db2.gz YEFOZPXJVBUOBJ-ZYHUDNBSSA-N 0 1 231.311 2.167 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000583064816 357471784 /nfs/dbraw/zinc/47/17/84/357471784.db2.gz LWULEJWUEDUKES-NGZCFLSTSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1nc2c(n1CCC1(O)CCC1)CCCC2 ZINC000396795962 357482930 /nfs/dbraw/zinc/48/29/30/357482930.db2.gz XHEVFDFJYIKORM-UHFFFAOYSA-N 0 1 234.343 2.375 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1ccncc1C ZINC000583142382 357493459 /nfs/dbraw/zinc/49/34/59/357493459.db2.gz SDDVYTQXIRASCE-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc(C2CC2)s1 ZINC000583196125 357516493 /nfs/dbraw/zinc/51/64/93/357516493.db2.gz BHGGSCPXUYMGMK-SECBINFHSA-N 0 1 240.372 2.487 20 0 BEADMN CCc1nnc(SCC[C@@H]2CCCO2)[nH]1 ZINC000188895701 357595429 /nfs/dbraw/zinc/59/54/29/357595429.db2.gz SCUYSFIZRZESLD-QMMMGPOBSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SCC[C@@H]2CCCO2)n1 ZINC000188895701 357595434 /nfs/dbraw/zinc/59/54/34/357595434.db2.gz SCUYSFIZRZESLD-QMMMGPOBSA-N 0 1 227.333 2.028 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H](O)C(C)C)c(C)s1 ZINC000159060374 538873457 /nfs/dbraw/zinc/87/34/57/538873457.db2.gz WCSSTLFTMNJOGN-LDYMZIIASA-N 0 1 242.388 2.427 20 0 BEADMN CC[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232142965 357647228 /nfs/dbraw/zinc/64/72/28/357647228.db2.gz BOTKGAHASUZEDZ-UONOGXRCSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)CC2CCCC2)CCO1 ZINC000232142965 357647234 /nfs/dbraw/zinc/64/72/34/357647234.db2.gz BOTKGAHASUZEDZ-UONOGXRCSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000685947997 538889623 /nfs/dbraw/zinc/88/96/23/538889623.db2.gz WKKDZNTZJDUJJL-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nc(CN2CCC[C@]2(C)CO)sc1C ZINC000545398072 325219734 /nfs/dbraw/zinc/21/97/34/325219734.db2.gz VRNNPYZELAWBSR-GFCCVEGCSA-N 0 1 240.372 2.107 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NCc2ncn(C)n2)C1 ZINC000232731845 357681278 /nfs/dbraw/zinc/68/12/78/357681278.db2.gz MFYVUYCTOKTTAS-NWDGAFQWSA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000232830526 357685610 /nfs/dbraw/zinc/68/56/10/357685610.db2.gz HTPGYQHMBLXCGC-UONOGXRCSA-N 0 1 249.358 2.121 20 0 BEADMN CCC(=O)CCN(C)[C@H]1CCCc2c1cnn2C ZINC000190306584 357699852 /nfs/dbraw/zinc/69/98/52/357699852.db2.gz DAUUOMMIFRKYBG-ZDUSSCGKSA-N 0 1 249.358 2.099 20 0 BEADMN CCC(=O)CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000190306565 357700130 /nfs/dbraw/zinc/70/01/30/357700130.db2.gz DAUUOMMIFRKYBG-CYBMUJFWSA-N 0 1 249.358 2.099 20 0 BEADMN COc1ccc(CCN2CCOCC2(C)C)cc1 ZINC000064247601 357763011 /nfs/dbraw/zinc/76/30/11/357763011.db2.gz VIEUAPWWCRUBAI-UHFFFAOYSA-N 0 1 249.354 2.349 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC2(CCCC2)C1 ZINC000191418162 357770336 /nfs/dbraw/zinc/77/03/36/357770336.db2.gz MNZOITIDQKXQQG-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN CC1(C)CN(CCCO)[C@H]1c1ccco1 ZINC000639924702 357800527 /nfs/dbraw/zinc/80/05/27/357800527.db2.gz DGIQPJXAWNCAAR-NSHDSACASA-N 0 1 209.289 2.045 20 0 BEADMN CN(Cc1ncccn1)CC1CCCCC1 ZINC000191868023 357811244 /nfs/dbraw/zinc/81/12/44/357811244.db2.gz GNRBRNQEMZUUSU-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN CCCN(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000191972736 357818325 /nfs/dbraw/zinc/81/83/25/357818325.db2.gz GTMWBRNFHWUZIT-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN CCN(CCO)Cc1cc(OC)ccc1Cl ZINC000191992405 357820053 /nfs/dbraw/zinc/82/00/53/357820053.db2.gz VBOPPCVETIASIF-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CC(C)N(Cc1ncccn1)C1CCC1 ZINC000192109543 357823726 /nfs/dbraw/zinc/82/37/26/357823726.db2.gz KTNMAPJZKYUPRL-UHFFFAOYSA-N 0 1 205.305 2.240 20 0 BEADMN CCc1cnc(CNC[C@@H]2CC[C@H](C)O2)s1 ZINC000234224054 357787345 /nfs/dbraw/zinc/78/73/45/357787345.db2.gz XIKAQHDOGLDSRT-UWVGGRQHSA-N 0 1 240.372 2.363 20 0 BEADMN CC[N@@H+](Cc1ncccc1[O-])CC1CCC1 ZINC000583290390 357850986 /nfs/dbraw/zinc/85/09/86/357850986.db2.gz UMHJQKMYTCYJSR-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN CC[N@H+](Cc1ncccc1[O-])CC1CCC1 ZINC000583290390 357850987 /nfs/dbraw/zinc/85/09/87/357850987.db2.gz UMHJQKMYTCYJSR-UHFFFAOYSA-N 0 1 220.316 2.409 20 0 BEADMN Cc1ncsc1CN[C@H](C)c1ccnn1C ZINC000235218657 357858525 /nfs/dbraw/zinc/85/85/25/357858525.db2.gz LLRUQHGBACMPLJ-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1ncc(CNC[C@@H](O)CC2CCCC2)o1 ZINC000398069124 357833725 /nfs/dbraw/zinc/83/37/25/357833725.db2.gz NEAPDBFYKHZICB-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN CNC(=O)CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000064517654 357849658 /nfs/dbraw/zinc/84/96/58/357849658.db2.gz LPWNTQBNMSXFGN-AWEZNQCLSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1cnc(CN[C@@H]2CS[C@H](C)C2)s1 ZINC000235357161 357866669 /nfs/dbraw/zinc/86/66/69/357866669.db2.gz CGVCPKIJUYWTQW-APPZFPTMSA-N 0 1 228.386 2.435 20 0 BEADMN CC(C)(O)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639928681 357883907 /nfs/dbraw/zinc/88/39/07/357883907.db2.gz YUAZIHSWAVQYPQ-NSHDSACASA-N 0 1 223.316 2.433 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639929538 357890670 /nfs/dbraw/zinc/89/06/70/357890670.db2.gz NOMUSYBTLDDRCN-CMPLNLGQSA-N 0 1 223.316 2.433 20 0 BEADMN CC(C)(NC(=O)CN1CCC(C)(C)C1)C1CC1 ZINC000583762393 357937687 /nfs/dbraw/zinc/93/76/87/357937687.db2.gz SXMNYPNURVQPKV-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCNC(=O)C[N@H+]1CCCC[C@H]1CCC(C)C ZINC000133358344 325289629 /nfs/dbraw/zinc/28/96/29/325289629.db2.gz BRQDUOVMAIQGNE-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](c1ccc(F)cc1)N1CCN(C)CC1 ZINC000078614393 491117442 /nfs/dbraw/zinc/11/74/42/491117442.db2.gz AUUBZRALOIKHDL-LLVKDONJSA-N 0 1 222.307 2.134 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ncccc2[O-])CCS1 ZINC000564305727 325295335 /nfs/dbraw/zinc/29/53/35/325295335.db2.gz YSMYDUIZAFSSFU-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(C)[nH]2)C1(C)C ZINC000103255105 358033482 /nfs/dbraw/zinc/03/34/82/358033482.db2.gz DRICUEPFYYWESG-VHSXEESVSA-N 0 1 248.330 2.290 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000037173669 358059783 /nfs/dbraw/zinc/05/97/83/358059783.db2.gz VVBBDWVWKHSLKJ-VIFPVBQESA-N 0 1 225.288 2.456 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000037110540 358064764 /nfs/dbraw/zinc/06/47/64/358064764.db2.gz NLVNZPQSVPZGMN-MRVPVSSYSA-N 0 1 211.261 2.208 20 0 BEADMN CC(C)[N@@H+](CCCC(=O)[O-])Cc1ccccn1 ZINC000037596480 358082743 /nfs/dbraw/zinc/08/27/43/358082743.db2.gz GXJKFNSXIISLKD-UHFFFAOYSA-N 0 1 236.315 2.157 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000037911380 358097304 /nfs/dbraw/zinc/09/73/04/358097304.db2.gz IRXCHRRNKNIMJO-VIFPVBQESA-N 0 1 223.272 2.271 20 0 BEADMN C[C@H]1CCC[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000037911373 358097596 /nfs/dbraw/zinc/09/75/96/358097596.db2.gz YZTZTXGECKQSSA-NSHDSACASA-N 0 1 249.310 2.248 20 0 BEADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000037925819 358097912 /nfs/dbraw/zinc/09/79/12/358097912.db2.gz LKTKLFCLVUUGNJ-UHFFFAOYSA-N 0 1 249.310 2.105 20 0 BEADMN C[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000037925790 358098060 /nfs/dbraw/zinc/09/80/60/358098060.db2.gz FIYVJQGZGLQGLY-LBPRGKRZSA-N 0 1 219.284 2.154 20 0 BEADMN COc1cccc2c1CN(Cc1[nH]ncc1C)C2 ZINC000628462654 358117528 /nfs/dbraw/zinc/11/75/28/358117528.db2.gz CJVYFHCJBIJIIY-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN COC[C@@H](C)CN1Cc2cccc(OC)c2C1 ZINC000628462841 358118153 /nfs/dbraw/zinc/11/81/53/358118153.db2.gz JUZIGRMDCRHKKL-NSHDSACASA-N 0 1 235.327 2.293 20 0 BEADMN CSCCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000584666050 358119796 /nfs/dbraw/zinc/11/97/96/358119796.db2.gz IMHUTFRUWWLIRM-SECBINFHSA-N 0 1 231.361 2.067 20 0 BEADMN O=C(c1cc(C(F)F)[nH]n1)N1CCC=C(F)C1 ZINC000640059828 358149108 /nfs/dbraw/zinc/14/91/08/358149108.db2.gz QSUGXRSYDURQDC-UHFFFAOYSA-N 0 1 245.204 2.047 20 0 BEADMN CCCCNC(=O)[C@H](C)N1CCC(C)(F)CC1 ZINC000640071033 358154342 /nfs/dbraw/zinc/15/43/42/358154342.db2.gz VCBFADMSWIMMJR-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN CCCCNC(=O)[C@@H](C)N1CCC(C)(F)CC1 ZINC000640071032 358154568 /nfs/dbraw/zinc/15/45/68/358154568.db2.gz VCBFADMSWIMMJR-LLVKDONJSA-N 0 1 244.354 2.115 20 0 BEADMN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccoc1 ZINC000222491216 358174402 /nfs/dbraw/zinc/17/44/02/358174402.db2.gz TYZLKXDDXGNIEZ-BDAKNGLRSA-N 0 1 205.261 2.415 20 0 BEADMN CCC[C@H]1C[N@@H+](CCc2ccncc2C)CCO1 ZINC000584836653 358196786 /nfs/dbraw/zinc/19/67/86/358196786.db2.gz MQKOHMCKPBOVRO-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CCC[C@H]1CN(CCc2ccncc2C)CCO1 ZINC000584836653 358196790 /nfs/dbraw/zinc/19/67/90/358196790.db2.gz MQKOHMCKPBOVRO-HNNXBMFYSA-N 0 1 248.370 2.433 20 0 BEADMN CCC[C@@H]1CN(CCc2ccncc2C)CCO1 ZINC000584836654 358198180 /nfs/dbraw/zinc/19/81/80/358198180.db2.gz MQKOHMCKPBOVRO-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN Cc1ncc([C@H](C)NCc2cnn(C)c2)s1 ZINC000090404256 491126022 /nfs/dbraw/zinc/12/60/22/491126022.db2.gz ZQAAPVABZGRQLQ-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000040718733 358245801 /nfs/dbraw/zinc/24/58/01/358245801.db2.gz FHYOXTDFJUSZOY-MRVPVSSYSA-N 0 1 223.272 2.128 20 0 BEADMN CCCC[C@H]([NH2+]Cc1cnn[n-]1)C1CCC1 ZINC000450730298 202250117 /nfs/dbraw/zinc/25/01/17/202250117.db2.gz WAGCPBIVTGVUCF-LBPRGKRZSA-N 0 1 222.336 2.253 20 0 BEADMN C[N@H+](Cc1cnns1)C[C@@H]1CC=CCC1 ZINC000450716057 202242910 /nfs/dbraw/zinc/24/29/10/202242910.db2.gz OCOJFSQOAIOVSE-SNVBAGLBSA-N 0 1 223.345 2.326 20 0 BEADMN CN(Cc1cnns1)C[C@@H]1CC=CCC1 ZINC000450716057 202242913 /nfs/dbraw/zinc/24/29/13/202242913.db2.gz OCOJFSQOAIOVSE-SNVBAGLBSA-N 0 1 223.345 2.326 20 0 BEADMN COC(=O)c1sc([C@@H]2CCCCN2)nc1C ZINC000584639253 358324452 /nfs/dbraw/zinc/32/44/52/358324452.db2.gz IMYQMKDOLPINAR-QMMMGPOBSA-N 0 1 240.328 2.053 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226397159 358337896 /nfs/dbraw/zinc/33/78/96/358337896.db2.gz LAEPVNSGTJAOEF-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445348 358340335 /nfs/dbraw/zinc/34/03/35/358340335.db2.gz RAUHHOUSJUHMBS-NWDGAFQWSA-N 0 1 233.311 2.463 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437054 358349234 /nfs/dbraw/zinc/34/92/34/358349234.db2.gz KSLFTQAGUUTCPP-SECBINFHSA-N 0 1 225.263 2.121 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CC1CCCCC1 ZINC000042493556 358350681 /nfs/dbraw/zinc/35/06/81/358350681.db2.gz HNJKSGOTZIGAKY-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042585565 358352801 /nfs/dbraw/zinc/35/28/01/358352801.db2.gz FRKUYHHUBNVARW-NXEZZACHSA-N 0 1 201.310 2.074 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCCCC2CC2)cc1 ZINC000228088880 358368448 /nfs/dbraw/zinc/36/84/48/358368448.db2.gz XYJLVZURHCXZFF-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCCCC2CC2)cc1 ZINC000228088889 358368517 /nfs/dbraw/zinc/36/85/17/358368517.db2.gz XYJLVZURHCXZFF-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC(C)(C)C)C(=O)[O-] ZINC000042706729 358355719 /nfs/dbraw/zinc/35/57/19/358355719.db2.gz YKJKRSWMOWYOGE-VIFPVBQESA-N 0 1 201.310 2.075 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000227578115 358359789 /nfs/dbraw/zinc/35/97/89/358359789.db2.gz GXYOGDKTLGFCGI-DGCLKSJQSA-N 0 1 233.311 2.290 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831987 358364800 /nfs/dbraw/zinc/36/48/00/358364800.db2.gz BNPXSVPMRHQLKK-PWSUYJOCSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000227882790 358365173 /nfs/dbraw/zinc/36/51/73/358365173.db2.gz VREXOROBDFGJMZ-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN CC(C)C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000173905925 134278455 /nfs/dbraw/zinc/27/84/55/134278455.db2.gz WLOHPAYHXVEZRR-GFCCVEGCSA-N 0 1 221.348 2.288 20 0 BEADMN Cc1cnc([C@@H](C)CNCc2ncc[nH]2)s1 ZINC000134989537 325386897 /nfs/dbraw/zinc/38/68/97/325386897.db2.gz VBOGJQPCQNPACC-QMMMGPOBSA-N 0 1 236.344 2.068 20 0 BEADMN C[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000229308457 358401643 /nfs/dbraw/zinc/40/16/43/358401643.db2.gz UEELTIUGTRRHPJ-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN C[C@@H](CO)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640155011 358438037 /nfs/dbraw/zinc/43/80/37/358438037.db2.gz OUKKHOICRHKPPT-SKDRFNHKSA-N 0 1 229.270 2.054 20 0 BEADMN C[C@H](O)CCN[C@@H](CF)c1ccc(F)cc1 ZINC000640155354 358439188 /nfs/dbraw/zinc/43/91/88/358439188.db2.gz UONFTJFYRMNUKJ-CABZTGNLSA-N 0 1 229.270 2.197 20 0 BEADMN CC[N@@H+](CCCc1ccc(C)cc1)CC(=O)[O-] ZINC000578242036 366454123 /nfs/dbraw/zinc/45/41/23/366454123.db2.gz GYTLVBVQSSRWIB-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN CCN(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000044576439 358550405 /nfs/dbraw/zinc/55/04/05/358550405.db2.gz ISEIALIKCDYFLL-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN CC[N@H+](CC(=O)N1CCC(C)CC1)CC(C)C ZINC000046063005 358569498 /nfs/dbraw/zinc/56/94/98/358569498.db2.gz QIVHKAYYZKXZIW-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](C)CN(C)[C@@H](C)C(=O)OC(C)C ZINC000130050591 358606370 /nfs/dbraw/zinc/60/63/70/358606370.db2.gz KMPNCDRDNBJAHZ-QWRGUYRKSA-N 0 1 215.337 2.304 20 0 BEADMN CC[C@@H](NC[C@@H](C)OC)c1nccs1 ZINC000167087646 358615520 /nfs/dbraw/zinc/61/55/20/358615520.db2.gz DNARXVJTLJMQRJ-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccc(O)cc2)no1 ZINC000130531725 358630934 /nfs/dbraw/zinc/63/09/34/358630934.db2.gz ORLDQWTZKNATHI-JTQLQIEISA-N 0 1 246.310 2.409 20 0 BEADMN CCN(CC)CC(=O)Nc1nc(C)c(C)s1 ZINC000048404465 358634301 /nfs/dbraw/zinc/63/43/01/358634301.db2.gz NRQWUPPLBAKGEN-UHFFFAOYSA-N 0 1 241.360 2.040 20 0 BEADMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc(F)ccc1F ZINC000129363282 358585502 /nfs/dbraw/zinc/58/55/02/358585502.db2.gz WLZIOUOWXVQILO-RYUDHWBXSA-N 0 1 241.281 2.214 20 0 BEADMN Cn1ccc(CNCc2cccc3[nH]ccc32)n1 ZINC000213113027 358670526 /nfs/dbraw/zinc/67/05/26/358670526.db2.gz YWWRPJBXYKJHDU-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccoc1 ZINC000309453420 358708903 /nfs/dbraw/zinc/70/89/03/358708903.db2.gz NAYGAYFPFLLNFN-IONNQARKSA-N 0 1 237.221 2.244 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2CCO)oc1C ZINC000050104932 358715825 /nfs/dbraw/zinc/71/58/25/358715825.db2.gz HQQDQBOLGFNWQK-GFCCVEGCSA-N 0 1 238.331 2.028 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000050273127 358722308 /nfs/dbraw/zinc/72/23/08/358722308.db2.gz HUTBZBBLRVPYJL-OCCSQVGLSA-N 0 1 247.338 2.428 20 0 BEADMN Cc1nnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000176043489 134290125 /nfs/dbraw/zinc/29/01/25/134290125.db2.gz GGVGWAATHCLCGR-WPRPVWTQSA-N 0 1 209.293 2.046 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2[nH]nc3ccccc32)C1 ZINC000134956969 358812523 /nfs/dbraw/zinc/81/25/23/358812523.db2.gz VJJHLPJRBZOOPR-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H](NCc1ncc(Cl)s1)C(C)(C)O ZINC000308512595 491136758 /nfs/dbraw/zinc/13/67/58/491136758.db2.gz LLSALMFIPMUUBY-LURJTMIESA-N 0 1 234.752 2.046 20 0 BEADMN COC[C@H](N[C@@H](C)c1nnc(C)s1)C(C)C ZINC000135008742 358815407 /nfs/dbraw/zinc/81/54/07/358815407.db2.gz JJTWEPYYQRLJQS-WPRPVWTQSA-N 0 1 243.376 2.168 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2nccc(N)n2)C1 ZINC000135098546 358820008 /nfs/dbraw/zinc/82/00/08/358820008.db2.gz TUKPTVLIIGLAHM-QWRGUYRKSA-N 0 1 234.347 2.069 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(CN)o1 ZINC000136143753 358865200 /nfs/dbraw/zinc/86/52/00/358865200.db2.gz KRPRJZVRBAVZKA-VHSXEESVSA-N 0 1 236.315 2.141 20 0 BEADMN CCC[C@@H](CC)NC(=O)CN1CCC(C)CC1 ZINC000135365824 358834848 /nfs/dbraw/zinc/83/48/48/358834848.db2.gz RIQFGZKRJXJDEP-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](CO)N(C)Cc1cc(-c2ccccc2)no1 ZINC000135506224 358841460 /nfs/dbraw/zinc/84/14/60/358841460.db2.gz UCGUIYHFKFYMQJ-LLVKDONJSA-N 0 1 246.310 2.154 20 0 BEADMN CCCn1ncnc1CN1CCC[C@H]2CCC[C@H]21 ZINC000578307517 366478700 /nfs/dbraw/zinc/47/87/00/366478700.db2.gz KJFRWEBNQFFFQS-CHWSQXEVSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](O)C1 ZINC000056492359 358898225 /nfs/dbraw/zinc/89/82/25/358898225.db2.gz ACJSHUJHYMVTEI-GWCFXTLKSA-N 0 1 223.291 2.343 20 0 BEADMN CCN[C@H](c1ccccc1)c1ccncn1 ZINC000069639699 359031413 /nfs/dbraw/zinc/03/14/13/359031413.db2.gz FSVCAWBGLHSFPB-CYBMUJFWSA-N 0 1 213.284 2.176 20 0 BEADMN CCN(CC1CC1)C(=O)c1cccc2c[nH]nc21 ZINC000069746791 359032877 /nfs/dbraw/zinc/03/28/77/359032877.db2.gz JIEXZYQYINDNMT-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CN(CC(=O)NCCC(C)(C)C)C1CCC1 ZINC000072721972 359088347 /nfs/dbraw/zinc/08/83/47/359088347.db2.gz RFEUGONUMMZTLB-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ncsc1CCN1C[C@@H](C)OC[C@H]1C ZINC000246472143 359110914 /nfs/dbraw/zinc/11/09/14/359110914.db2.gz ZXBWIDGCVQOTNS-NXEZZACHSA-N 0 1 240.372 2.103 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@H]1C ZINC000246496998 359127081 /nfs/dbraw/zinc/12/70/81/359127081.db2.gz ISGAHTMSIREDOI-VWYCJHECSA-N 0 1 247.342 2.087 20 0 BEADMN CO[C@@H]1CC[C@H]2OCCN(CC=C(C)C)[C@@H]2C1 ZINC000246922962 359176312 /nfs/dbraw/zinc/17/63/12/359176312.db2.gz RVSXOOBHTPBZBR-MGPQQGTHSA-N 0 1 239.359 2.221 20 0 BEADMN C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000246957722 359177525 /nfs/dbraw/zinc/17/75/25/359177525.db2.gz PLJQUYMMQCIBJS-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN COCCCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247520263 359230244 /nfs/dbraw/zinc/23/02/44/359230244.db2.gz NIEUTSCAWGXBFL-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@H]1CN(CCc2ccccn2)C[C@@H](C)O1 ZINC000247593169 359236458 /nfs/dbraw/zinc/23/64/58/359236458.db2.gz NQIBYTJBNHKVCJ-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000247686589 359240630 /nfs/dbraw/zinc/24/06/30/359240630.db2.gz VCNQKKCYZJEPDB-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@](C)(CC)C1 ZINC000247700560 359241730 /nfs/dbraw/zinc/24/17/30/359241730.db2.gz XSXKKLNVWHNVCA-YPMHNXCESA-N 0 1 227.348 2.450 20 0 BEADMN CCCCN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075924798 359248279 /nfs/dbraw/zinc/24/82/79/359248279.db2.gz JAHAWEDTRZIYPM-UHFFFAOYSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nc([C@H]2CCCN2CC[C@H](C)O)cs1 ZINC000450779524 202263225 /nfs/dbraw/zinc/26/32/25/202263225.db2.gz OVVKQRZGAAHTCQ-JOYOIKCWSA-N 0 1 240.372 2.359 20 0 BEADMN CC[C@@H](C)CN(C)[C@H](C)c1nnc(C)o1 ZINC000247400651 359217873 /nfs/dbraw/zinc/21/78/73/359217873.db2.gz BDZFKPMFKPZZSP-RKDXNWHRSA-N 0 1 211.309 2.417 20 0 BEADMN Cc1c[nH]c(C[N@H+]2CCCC3(CC3)CC2)n1 ZINC000628480189 359317688 /nfs/dbraw/zinc/31/76/88/359317688.db2.gz CBHWWNAAHCFSJO-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN CCc1nc(C)c(CNC[C@@H]2CCC=CO2)o1 ZINC000292835919 359301032 /nfs/dbraw/zinc/30/10/32/359301032.db2.gz RSVZHBZQSMEURO-NSHDSACASA-N 0 1 236.315 2.328 20 0 BEADMN CCc1nc(CN[C@H](CC)C(C)(C)O)cs1 ZINC000292858848 359307219 /nfs/dbraw/zinc/30/72/19/359307219.db2.gz ALWBHYVKTWYKAH-SNVBAGLBSA-N 0 1 242.388 2.345 20 0 BEADMN Cn1cc(CN2CC(Cc3cccs3)C2)cn1 ZINC000628478623 359313651 /nfs/dbraw/zinc/31/36/51/359313651.db2.gz KBQYLCDUMFAHTR-UHFFFAOYSA-N 0 1 247.367 2.156 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@](C)(CC)C1 ZINC000075998584 359263393 /nfs/dbraw/zinc/26/33/93/359263393.db2.gz XSXKKLNVWHNVCA-AAEUAGOBSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccccn2)n1 ZINC000076024008 359272392 /nfs/dbraw/zinc/27/23/92/359272392.db2.gz AJYHSNVQEXWEIG-SECBINFHSA-N 0 1 232.287 2.178 20 0 BEADMN CC(C)OC(=O)CCN1CC[C@@H](C)[C@H](F)C1 ZINC000611501563 359383546 /nfs/dbraw/zinc/38/35/46/359383546.db2.gz FHHWSGDOEJSPQH-GHMZBOCLSA-N 0 1 231.311 2.008 20 0 BEADMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)o2)C1 ZINC000580418799 359534036 /nfs/dbraw/zinc/53/40/36/359534036.db2.gz QWKBMAPJERXSON-GHMZBOCLSA-N 0 1 223.316 2.392 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000580440899 359550134 /nfs/dbraw/zinc/55/01/34/359550134.db2.gz VJPXZDKVRJRXBN-IUODEOHRSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@H](N[C@@H]1CC12CCCC2)c1ncc[nH]1 ZINC000308975215 491141649 /nfs/dbraw/zinc/14/16/49/491141649.db2.gz GKZHILARTJSJLN-VHSXEESVSA-N 0 1 205.305 2.393 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)c1coc(CN)c1 ZINC000423888953 192843896 /nfs/dbraw/zinc/84/38/96/192843896.db2.gz ZJNGLHMBAZUGEU-VIFPVBQESA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H](Cc1ccsc1)Nc1ccnc(N)n1 ZINC000087823030 1172258224 /nfs/dbraw/zinc/25/82/24/1172258224.db2.gz MSTZOXRKEMROGN-QMMMGPOBSA-N 0 1 234.328 2.163 20 0 BEADMN COC[C@H]1CN(CC2=CCCCC2)C[C@H](C)O1 ZINC000450825422 202277626 /nfs/dbraw/zinc/27/76/26/202277626.db2.gz GDUBGSMMRXJURF-GXTWGEPZSA-N 0 1 239.359 2.223 20 0 BEADMN CCC1(CC)CCN(C(=O)C2(N(C)C)CC2)C1 ZINC000612203407 359732904 /nfs/dbraw/zinc/73/29/04/359732904.db2.gz UOCAWZMCYUKLPE-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)C[C@H](C)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000450845104 202285877 /nfs/dbraw/zinc/28/58/77/202285877.db2.gz QMGVXIJGHWELTR-SRVKXCTJSA-N 0 1 231.405 2.262 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000450884389 202297055 /nfs/dbraw/zinc/29/70/55/202297055.db2.gz RVGHMIWSQNGRIM-FZMZJTMJSA-N 0 1 239.359 2.245 20 0 BEADMN CCn1cc(CCN2CCC[C@@](C)(F)C2)cn1 ZINC000451110102 202353766 /nfs/dbraw/zinc/35/37/66/202353766.db2.gz CDBYPFAUBRQLCG-CYBMUJFWSA-N 0 1 239.338 2.270 20 0 BEADMN Cc1cccc(OCCN(C(C)C)C2COC2)c1 ZINC000451120923 202356635 /nfs/dbraw/zinc/35/66/35/202356635.db2.gz OFZIEVITDLYIPH-UHFFFAOYSA-N 0 1 249.354 2.483 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000612531747 359878507 /nfs/dbraw/zinc/87/85/07/359878507.db2.gz GRYDIJNWUMGXQP-MNOVXSKESA-N 0 1 247.342 2.340 20 0 BEADMN F[C@H]1CCN(CCCOc2ccccc2)C1 ZINC000451182025 202371045 /nfs/dbraw/zinc/37/10/45/202371045.db2.gz GKOUZCNJXHWCIY-LBPRGKRZSA-N 0 1 223.291 2.499 20 0 BEADMN O=C(CCN1CC[C@@H](F)C1)Nc1ccccc1 ZINC000451187570 202372600 /nfs/dbraw/zinc/37/26/00/202372600.db2.gz NKCFXQXRVJZFRG-LLVKDONJSA-N 0 1 236.290 2.059 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC2(C)C)n[nH]1 ZINC000612600894 359907333 /nfs/dbraw/zinc/90/73/33/359907333.db2.gz MXXCMGVLQNMNNI-CABZTGNLSA-N 0 1 249.358 2.202 20 0 BEADMN COC[C@@]1(C)CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000451203310 202378058 /nfs/dbraw/zinc/37/80/58/202378058.db2.gz PMRBRBZYRMUDDB-AAEUAGOBSA-N 0 1 238.331 2.402 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@H]2C2CC2)s1 ZINC000309172154 491145877 /nfs/dbraw/zinc/14/58/77/491145877.db2.gz LQHSTFOTWKOUQK-VHSXEESVSA-N 0 1 223.345 2.125 20 0 BEADMN CN(CCOC1CCC1)Cc1ccccn1 ZINC000451363538 202408890 /nfs/dbraw/zinc/40/88/90/202408890.db2.gz AWULXHGENBJJIH-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN c1cnc(CNc2cc3c(cn2)CCCC3)cn1 ZINC000578722792 366631302 /nfs/dbraw/zinc/63/13/02/366631302.db2.gz BPEKQSCOQFSFCE-UHFFFAOYSA-N 0 1 240.310 2.363 20 0 BEADMN CCn1ncnc1CNCCC1CCCCC1 ZINC000088589628 359969448 /nfs/dbraw/zinc/96/94/48/359969448.db2.gz PECRBLHTUPGKCV-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CCc1sc(C(=O)NCc2cnc[nH]2)cc1C ZINC000088759123 359975757 /nfs/dbraw/zinc/97/57/57/359975757.db2.gz KZPWKGMRXIOWNP-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN CC[C@H](C)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000089679848 360033744 /nfs/dbraw/zinc/03/37/44/360033744.db2.gz WNPJEJVLTHDXCQ-ZETCQYMHSA-N 0 1 239.344 2.389 20 0 BEADMN CC[C@H](C)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000089679848 360033748 /nfs/dbraw/zinc/03/37/48/360033748.db2.gz WNPJEJVLTHDXCQ-ZETCQYMHSA-N 0 1 239.344 2.389 20 0 BEADMN Cc1csc([C@@H](C)N[C@@H]2CCC[C@H]2O)n1 ZINC000226268231 360034785 /nfs/dbraw/zinc/03/47/85/360034785.db2.gz WEYOMRXPPZFACF-OPRDCNLKSA-N 0 1 226.345 2.016 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@H]1NCc1ncn(C)n1 ZINC000090969279 360094729 /nfs/dbraw/zinc/09/47/29/360094729.db2.gz NKVXAAOMQCAINR-WDEREUQCSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@H]1COCCN1Cc1ccc(COC)cc1 ZINC000091980729 360139312 /nfs/dbraw/zinc/13/93/12/360139312.db2.gz YXULXXIPKHCKQI-HNNXBMFYSA-N 0 1 249.354 2.444 20 0 BEADMN CC1(C)CN(Cc2cccc3c[nH]nc32)CCO1 ZINC000091917472 360136035 /nfs/dbraw/zinc/13/60/35/360136035.db2.gz AWOCVCURLATDTG-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCc1nn(C)cc1CN[C@H](C)c1cccnc1 ZINC000092364904 360164466 /nfs/dbraw/zinc/16/44/66/360164466.db2.gz AZZMSPQJIQWBQY-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN CCc1nn(C)cc1CNCc1cccc(F)c1 ZINC000092367629 360165015 /nfs/dbraw/zinc/16/50/15/360165015.db2.gz RKACASYZSHAOHH-UHFFFAOYSA-N 0 1 247.317 2.411 20 0 BEADMN Cc1nn(C)cc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000092540273 360177944 /nfs/dbraw/zinc/17/79/44/360177944.db2.gz HBHFDHFHIJJYMM-UWVGGRQHSA-N 0 1 239.388 2.054 20 0 BEADMN CSCCN(C)Cc1cnc2ccc(C)cn12 ZINC000093509728 360254126 /nfs/dbraw/zinc/25/41/26/360254126.db2.gz BEDVNLIOCDTIOM-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN CCCN(Cc1c[nH]cn1)C[C@@H]1CCCCO1 ZINC000093132407 360219905 /nfs/dbraw/zinc/21/99/05/360219905.db2.gz IACHDGAFUKJCTR-ZDUSSCGKSA-N 0 1 237.347 2.191 20 0 BEADMN c1nc(C[N@@H+]2CCC3(CCCC3)C2)c[nH]1 ZINC000093336610 360232388 /nfs/dbraw/zinc/23/23/88/360232388.db2.gz ARJIYFLNJKQRJD-UHFFFAOYSA-N 0 1 205.305 2.176 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093605257 360263353 /nfs/dbraw/zinc/26/33/53/360263353.db2.gz RZMLVDZBTLZJFS-VXGBXAGGSA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871782 360286247 /nfs/dbraw/zinc/28/62/47/360286247.db2.gz VTFHTTNGKASDAO-YPMHNXCESA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2c[nH]cn2)C1(C)C ZINC000093871782 360286248 /nfs/dbraw/zinc/28/62/48/360286248.db2.gz VTFHTTNGKASDAO-YPMHNXCESA-N 0 1 237.347 2.045 20 0 BEADMN CO[C@@]1(C)C[C@@H](N(C)Cc2c[nH]cn2)C1(C)C ZINC000093871782 360286249 /nfs/dbraw/zinc/28/62/49/360286249.db2.gz VTFHTTNGKASDAO-YPMHNXCESA-N 0 1 237.347 2.045 20 0 BEADMN O=C(Nc1cccc(O)c1)c1ccc(F)cc1O ZINC000093900465 360290134 /nfs/dbraw/zinc/29/01/34/360290134.db2.gz DFFHALRPDICVON-UHFFFAOYSA-N 0 1 247.225 2.489 20 0 BEADMN Cc1ccnc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000095862809 360340131 /nfs/dbraw/zinc/34/01/31/360340131.db2.gz AWDSGBFRUXOLAY-RYUDHWBXSA-N 0 1 247.342 2.201 20 0 BEADMN C[C@H]1CCCCCN1C(=O)c1ccc(CN)o1 ZINC000094572259 360312909 /nfs/dbraw/zinc/31/29/09/360312909.db2.gz ITBPAAQCQGYGMH-JTQLQIEISA-N 0 1 236.315 2.143 20 0 BEADMN Nc1cnc2cc(Br)ccc2c1N ZINC000231447342 360385653 /nfs/dbraw/zinc/38/56/53/360385653.db2.gz SYMORBBHPXGJHS-UHFFFAOYSA-N 0 1 238.088 2.162 20 0 BEADMN CC(C)(F)CNC(=O)c1n[nH]c2ccccc21 ZINC000633727262 360420142 /nfs/dbraw/zinc/42/01/42/360420142.db2.gz CKXOZZAIYKKGKM-UHFFFAOYSA-N 0 1 235.262 2.041 20 0 BEADMN CC(C)(C(=O)N[C@@H]1CCCC12CC2)c1cnc[nH]1 ZINC000633776301 360472617 /nfs/dbraw/zinc/47/26/17/360472617.db2.gz BODBARBGYSAIOH-SNVBAGLBSA-N 0 1 247.342 2.136 20 0 BEADMN CC(C)n1cncc1CNCC(C)(C)F ZINC000631190006 360536600 /nfs/dbraw/zinc/53/66/00/360536600.db2.gz ZBLUSOSZAHAJOP-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN CCCc1cc(C(=O)N(C2CC2)C2CC2)n[nH]1 ZINC000628819941 360675189 /nfs/dbraw/zinc/67/51/89/360675189.db2.gz UIRVDGGXRIFBTF-UHFFFAOYSA-N 0 1 233.315 2.129 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)NCC(F)(F)CC ZINC000628844851 360700503 /nfs/dbraw/zinc/70/05/03/360700503.db2.gz JKHIFJLIPOCEAW-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cn1 ZINC000153920433 360780695 /nfs/dbraw/zinc/78/06/95/360780695.db2.gz YMIYFXKIXVHFIA-TZMCWYRMSA-N 0 1 234.343 2.125 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1C ZINC000629050783 360846693 /nfs/dbraw/zinc/84/66/93/360846693.db2.gz IFMWIQRCVDRLLS-GNXNZQSNSA-N 0 1 247.342 2.193 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Sc1nc(N)cc(N)n1 ZINC000629096202 360877409 /nfs/dbraw/zinc/87/74/09/360877409.db2.gz MOBBUSLSSLJHSV-SFYZADRCSA-N 0 1 238.360 2.142 20 0 BEADMN CSc1cc(NC(=O)c2[nH]cnc2C)ccn1 ZINC001641759412 1172289912 /nfs/dbraw/zinc/28/99/12/1172289912.db2.gz ZGLFDDAXXUNVJL-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629364386 361007345 /nfs/dbraw/zinc/00/73/45/361007345.db2.gz NEJZIRLWVCEHDG-ZWNOBZJWSA-N 0 1 245.322 2.399 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364038 361007577 /nfs/dbraw/zinc/00/75/77/361007577.db2.gz KHUCXUXPZIKAFN-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360627 361008428 /nfs/dbraw/zinc/00/84/28/361008428.db2.gz VQJUWZYCSJKQKL-WCQYABFASA-N 0 1 233.311 2.229 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000629360429 361008684 /nfs/dbraw/zinc/00/86/84/361008684.db2.gz RHSLOVGWIXCTIC-XBFCOCLRSA-N 0 1 247.338 2.270 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000629360626 361008719 /nfs/dbraw/zinc/00/87/19/361008719.db2.gz VQJUWZYCSJKQKL-DGCLKSJQSA-N 0 1 233.311 2.229 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000629360967 361009604 /nfs/dbraw/zinc/00/96/04/361009604.db2.gz ZJLTYYKTNKPVQA-MPKXVKKWSA-N 0 1 245.322 2.326 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361052 361009791 /nfs/dbraw/zinc/00/97/91/361009791.db2.gz BVBDWQPKXLHXLW-OPDFLTKYSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000629363378 361013131 /nfs/dbraw/zinc/01/31/31/361013131.db2.gz HQQSRTCHRWITKR-WOPDTQHZSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1C[C@@H]1C ZINC000629363302 361013322 /nfs/dbraw/zinc/01/33/22/361013322.db2.gz DIOSKTOIUXLJKV-HBNTYKKESA-N 0 1 213.321 2.074 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000629363729 361013763 /nfs/dbraw/zinc/01/37/63/361013763.db2.gz IBLHXHPLWSZRJS-MPKXVKKWSA-N 0 1 245.322 2.326 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000629368079 361015392 /nfs/dbraw/zinc/01/53/92/361015392.db2.gz JHMMGVKLASSVNB-UHFFFAOYSA-N 0 1 247.285 2.363 20 0 BEADMN Cc1ccc(COCCc2c[nH]nn2)cc1F ZINC000629370066 361017082 /nfs/dbraw/zinc/01/70/82/361017082.db2.gz VHAKNAYTZSYXJN-UHFFFAOYSA-N 0 1 235.262 2.012 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000629364719 361019249 /nfs/dbraw/zinc/01/92/49/361019249.db2.gz QSTNCEJWMABCHZ-JQWIXIFHSA-N 0 1 245.322 2.399 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CC1=CCCC1 ZINC000629366013 361020054 /nfs/dbraw/zinc/02/00/54/361020054.db2.gz IHNFALHSFMPOSD-ZDUSSCGKSA-N 0 1 247.294 2.374 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000629372359 361022243 /nfs/dbraw/zinc/02/22/43/361022243.db2.gz BTAVQHSYQCBADW-JHJVBQTASA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCCC2(CC2)CC1 ZINC000629378511 361027472 /nfs/dbraw/zinc/02/74/72/361027472.db2.gz QNAQTIHFFLGLCO-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H](C)CCCCO)s1 ZINC000309658962 491153822 /nfs/dbraw/zinc/15/38/22/491153822.db2.gz BBPXWTIEIGCKEJ-IUCAKERBSA-N 0 1 243.376 2.048 20 0 BEADMN Cc1ccc(CNC(=O)C[N@H+](C)CC(C)C)cc1 ZINC000065962512 361084965 /nfs/dbraw/zinc/08/49/65/361084965.db2.gz ZXLHLAYEOQZSHE-UHFFFAOYSA-N 0 1 248.370 2.199 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000629489431 361094872 /nfs/dbraw/zinc/09/48/72/361094872.db2.gz HLAMTMNYXCFWOW-KOLCDFICSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640380613 361189296 /nfs/dbraw/zinc/18/92/96/361189296.db2.gz UZJBEJGIORDIEX-RKDXNWHRSA-N 0 1 244.298 2.189 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@@H]1CC12CCC2 ZINC000640380231 361190258 /nfs/dbraw/zinc/19/02/58/361190258.db2.gz QCRKDGJJMGPCON-QMMMGPOBSA-N 0 1 242.282 2.087 20 0 BEADMN O=C(C[C@@H]1C=CCC1)Nc1cccc2[nH]nnc21 ZINC000640378977 361191225 /nfs/dbraw/zinc/19/12/25/361191225.db2.gz ARSUIAKQVBOPME-SECBINFHSA-N 0 1 242.282 2.253 20 0 BEADMN O=C(CC1CCCC1)Nc1cccc2[nH]nnc21 ZINC000640381132 361193550 /nfs/dbraw/zinc/19/35/50/361193550.db2.gz JUYCZKYLGGAOFP-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN C[C@H](c1ccc(F)c(F)c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000640474960 361246231 /nfs/dbraw/zinc/24/62/31/361246231.db2.gz CZDNEUXKTDLFOI-ZDSQKVDBSA-N 0 1 239.265 2.092 20 0 BEADMN CC(C)Oc1ccccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000640477421 361252720 /nfs/dbraw/zinc/25/27/20/361252720.db2.gz SEDZALBNBCUAFS-UKRRQHHQSA-N 0 1 247.338 2.040 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1ccc(C)cc1 ZINC000579118760 366716357 /nfs/dbraw/zinc/71/63/57/366716357.db2.gz AWSLVYYDBQITFS-UHFFFAOYSA-N 0 1 235.327 2.334 20 0 BEADMN CC(C)c1nc(CN(C)CCC2CC2)n[nH]1 ZINC000428393621 201012469 /nfs/dbraw/zinc/01/24/69/201012469.db2.gz OSTGMFQWBVBBDH-UHFFFAOYSA-N 0 1 222.336 2.160 20 0 BEADMN CC1(CN2CCN(c3ncccc3F)CC2)CC1 ZINC000579188369 366729972 /nfs/dbraw/zinc/72/99/72/366729972.db2.gz FLWJDTUBMQTFOY-UHFFFAOYSA-N 0 1 249.333 2.143 20 0 BEADMN CCSCC[C@H](C)N(C)Cc1n[nH]c(C)n1 ZINC000428389755 201013237 /nfs/dbraw/zinc/01/32/37/201013237.db2.gz RHFCSVDRHUBWBM-VIFPVBQESA-N 0 1 242.392 2.077 20 0 BEADMN CC(C)c1nnc(CN(C)[C@@H](C)C(C)C)[nH]1 ZINC000428445987 201017943 /nfs/dbraw/zinc/01/79/43/201017943.db2.gz ICVQIQMALNMKAX-JTQLQIEISA-N 0 1 224.352 2.404 20 0 BEADMN CC(C)c1nnc(CN(C)[C@H](C)C(C)C)[nH]1 ZINC000428445988 201018382 /nfs/dbraw/zinc/01/83/82/201018382.db2.gz ICVQIQMALNMKAX-SNVBAGLBSA-N 0 1 224.352 2.404 20 0 BEADMN Cc1ccc(F)c(CN[C@@H](CO)CC(F)F)c1 ZINC000428644533 201030582 /nfs/dbraw/zinc/03/05/82/201030582.db2.gz VTIXPJGGUBNLFN-SNVBAGLBSA-N 0 1 247.260 2.240 20 0 BEADMN CC1(C)CCC[C@](O)(CNCc2cocn2)C1 ZINC000428559232 201027441 /nfs/dbraw/zinc/02/74/41/201027441.db2.gz KZCPEZSDNOLJLA-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN Oc1ccc(CCCNCc2cocn2)cc1 ZINC000428880731 201048055 /nfs/dbraw/zinc/04/80/55/201048055.db2.gz KKCBVQOJKGBNSO-UHFFFAOYSA-N 0 1 232.283 2.103 20 0 BEADMN CCN1[C@H](C)CN(C(=O)c2ccccc2)C[C@@H]1C ZINC000640608747 361330749 /nfs/dbraw/zinc/33/07/49/361330749.db2.gz GCZTVSQXAIHVOG-BETUJISGSA-N 0 1 246.354 2.241 20 0 BEADMN CN1CCN(C(=O)C(C)(C)C)C[C@@H]1C(C)(C)C ZINC000640616158 361332968 /nfs/dbraw/zinc/33/29/68/361332968.db2.gz DGPMRZCHZJKFDD-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CCCc1nc(C)c(CN(CC)C[C@H](C)O)o1 ZINC000428979196 201056289 /nfs/dbraw/zinc/05/62/89/201056289.db2.gz LRUDUPOJGSUVNM-JTQLQIEISA-N 0 1 240.347 2.138 20 0 BEADMN CCC1(NCc2cn(C(C)(C)C)nn2)CC1 ZINC000379721461 361358644 /nfs/dbraw/zinc/35/86/44/361358644.db2.gz FXUNKWLOFYXLRQ-UHFFFAOYSA-N 0 1 222.336 2.065 20 0 BEADMN COCC(C)(C)N(C)Cc1ccnn1C(C)C ZINC000429273404 201087913 /nfs/dbraw/zinc/08/79/13/201087913.db2.gz PXQNMKWERSZYNM-UHFFFAOYSA-N 0 1 239.363 2.321 20 0 BEADMN CN(CCC1CC1)Cc1cn2c(n1)CCCC2 ZINC000429543299 201112804 /nfs/dbraw/zinc/11/28/04/201112804.db2.gz VKEFPZHVOVEWQF-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN CCN(C)C(=O)CN(C)Cc1cc(C)ccc1C ZINC000429297241 201096453 /nfs/dbraw/zinc/09/64/53/201096453.db2.gz SUZSAPGPNDGJIG-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CC[C@@H](C)C2)o1 ZINC000429585850 201121917 /nfs/dbraw/zinc/12/19/17/201121917.db2.gz UNZJTTXOKZDGAI-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN CC1(C)CCC[C@H]1CNCc1csnn1 ZINC000354593807 366804223 /nfs/dbraw/zinc/80/42/23/366804223.db2.gz DUJXCNRRPMIKBE-VIFPVBQESA-N 0 1 225.361 2.454 20 0 BEADMN CCC[N@H+]1CCC[C@H]1CNCc1nccs1 ZINC000309908073 491158065 /nfs/dbraw/zinc/15/80/65/491158065.db2.gz LGQAPCRYFZBOAO-NSHDSACASA-N 0 1 239.388 2.107 20 0 BEADMN CCN(CC(C)C)[C@H](C)c1nc(COC)no1 ZINC000181546474 366824866 /nfs/dbraw/zinc/82/48/66/366824866.db2.gz HMGPSUXXNRQTOC-SNVBAGLBSA-N 0 1 241.335 2.255 20 0 BEADMN NC1(c2noc([C@H]3[C@@H]4CCC[C@@H]43)n2)CCCC1 ZINC000250896575 181336468 /nfs/dbraw/zinc/33/64/68/181336468.db2.gz AAIRKMHGXXEMCO-MYJAWHEDSA-N 0 1 233.315 2.311 20 0 BEADMN NC1(c2noc(Cc3cccs3)n2)CCCC1 ZINC000041153134 181336490 /nfs/dbraw/zinc/33/64/90/181336490.db2.gz MQEBJHIUFKGYKO-UHFFFAOYSA-N 0 1 249.339 2.450 20 0 BEADMN Cc1nc([C@@H](C)NCC[C@@H](C)O)c(C)s1 ZINC000082993206 491158236 /nfs/dbraw/zinc/15/82/36/491158236.db2.gz KVJYYNGQIQYIIF-HTQZYQBOSA-N 0 1 228.361 2.181 20 0 BEADMN CCc1noc([C@H](C)N[C@H]2CCC[C@H]2C)n1 ZINC000381567976 361486259 /nfs/dbraw/zinc/48/62/59/361486259.db2.gz VMRIHINHRVHHSS-UTLUCORTSA-N 0 1 223.320 2.471 20 0 BEADMN NC1(c2noc(-c3ccccc3)n2)CCCC1 ZINC000041152797 181336157 /nfs/dbraw/zinc/33/61/57/181336157.db2.gz DLTBVZSEKVADFE-UHFFFAOYSA-N 0 1 229.283 2.465 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H]3CCCC[C@@]32C)[nH]1 ZINC000629616045 361505231 /nfs/dbraw/zinc/50/52/31/361505231.db2.gz VVBOSVMXWXCBFG-GWCFXTLKSA-N 0 1 233.315 2.123 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(C)cc(F)c1 ZINC000433299755 201175565 /nfs/dbraw/zinc/17/55/65/201175565.db2.gz CBCDGTNIPXLMSB-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153596880 201245310 /nfs/dbraw/zinc/24/53/10/201245310.db2.gz AMIXNQQVVXYSEV-PHIMTYICSA-N 0 1 226.364 2.022 20 0 BEADMN CCC(CC)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153596971 201245345 /nfs/dbraw/zinc/24/53/45/201245345.db2.gz AMIXNQQVVXYSEV-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CCOCCN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984792 201247222 /nfs/dbraw/zinc/24/72/22/201247222.db2.gz ZQZKAPQZQRGAGE-UHFFFAOYSA-N 0 1 249.314 2.138 20 0 BEADMN Cc1ccc([C@@]2(C)CC[N@@H+](CCC(=O)[O-])C2)cc1 ZINC000434735614 201235442 /nfs/dbraw/zinc/23/54/42/201235442.db2.gz CYKIFNRVCUYVDX-HNNXBMFYSA-N 0 1 247.338 2.433 20 0 BEADMN C[C@@H](C1CCC1)N(C)Cc1cnns1 ZINC000448552478 201235754 /nfs/dbraw/zinc/23/57/54/201235754.db2.gz AHHLOMBDYMLWNQ-QMMMGPOBSA-N 0 1 211.334 2.159 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCSC(C)(C)CC1 ZINC000434713376 201237000 /nfs/dbraw/zinc/23/70/00/201237000.db2.gz ZQEMVNSBXYFFOD-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN CC(C)C[C@@H]1CCN(Cc2cnns2)C1 ZINC000448553771 201251765 /nfs/dbraw/zinc/25/17/65/201251765.db2.gz DSCQMPFMTKGAKH-JTQLQIEISA-N 0 1 225.361 2.406 20 0 BEADMN C[N@H+]1CCC[C@H]1CCSc1nncs1 ZINC000153921606 201252885 /nfs/dbraw/zinc/25/28/85/201252885.db2.gz IWQNINBHKJZXCB-QMMMGPOBSA-N 0 1 229.374 2.115 20 0 BEADMN CCCC(CCC)SCc1nn[nH]n1 ZINC000435229525 201254768 /nfs/dbraw/zinc/25/47/68/201254768.db2.gz ISCYKMLCVIHAFI-UHFFFAOYSA-N 0 1 214.338 2.402 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000066646463 361642835 /nfs/dbraw/zinc/64/28/35/361642835.db2.gz ZYFOZQGSEGBEKS-VIFPVBQESA-N 0 1 231.299 2.433 20 0 BEADMN Cc1oncc1-c1ccc([C@@H]2COCCN2)cc1 ZINC000629713261 361652472 /nfs/dbraw/zinc/65/24/72/361652472.db2.gz KULWBHXLSLDSFB-AWEZNQCLSA-N 0 1 244.294 2.311 20 0 BEADMN C[C@H](c1ccco1)[N@@H+](C)CCCC(=O)[O-] ZINC000082250030 361694530 /nfs/dbraw/zinc/69/45/30/361694530.db2.gz LLOFWQDUVZSSTQ-SECBINFHSA-N 0 1 211.261 2.137 20 0 BEADMN COc1ccc(CSc2cn[nH]n2)cc1 ZINC000436212892 201314176 /nfs/dbraw/zinc/31/41/76/201314176.db2.gz WXZSUBKDRSASKG-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN CCCCCNC(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000436264495 201315713 /nfs/dbraw/zinc/31/57/13/201315713.db2.gz WELZYKSHEDEUOW-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1CCC=C(C)C1 ZINC000436264496 201316788 /nfs/dbraw/zinc/31/67/88/201316788.db2.gz WELZYKSHEDEUOW-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000436259750 201317624 /nfs/dbraw/zinc/31/76/24/201317624.db2.gz KCOWSRXVRRXUTI-QWHCGFSZSA-N 0 1 238.375 2.332 20 0 BEADMN c1[nH]nnc1CCOCc1ccc2c(c1)CCC2 ZINC000642367188 363892799 /nfs/dbraw/zinc/89/27/99/363892799.db2.gz PKMIDXIPLAPBNT-UHFFFAOYSA-N 0 1 243.310 2.053 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000348331808 541305799 /nfs/dbraw/zinc/30/57/99/541305799.db2.gz KNAWBYFWVMSEFT-NEPJUHHUSA-N 0 1 248.374 2.311 20 0 BEADMN CCC[C@@H](CCO)N[C@H](C)c1cc(C)on1 ZINC000631670423 364198558 /nfs/dbraw/zinc/19/85/58/364198558.db2.gz VDKJWUCFZBSZEM-MNOVXSKESA-N 0 1 226.320 2.185 20 0 BEADMN CCCOc1cccc(Cn2ccnc2CN)c1 ZINC000630583517 364286435 /nfs/dbraw/zinc/28/64/35/364286435.db2.gz HJNLDQPPBJVOGJ-UHFFFAOYSA-N 0 1 245.326 2.179 20 0 BEADMN C[C@@H]1CCCC[C@@H]1Cn1ccnc1CN ZINC000630584098 364288023 /nfs/dbraw/zinc/28/80/23/364288023.db2.gz QHZOFIDNBWBPLZ-GHMZBOCLSA-N 0 1 207.321 2.168 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2ccccc2F)nn1 ZINC000630614210 364346144 /nfs/dbraw/zinc/34/61/44/364346144.db2.gz QLGDAWJCECNCAI-NXEZZACHSA-N 0 1 248.305 2.307 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCCC(C)C ZINC000135670175 364447738 /nfs/dbraw/zinc/44/77/38/364447738.db2.gz YIYNPNPNFSQVLH-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN Cc1nnc([C@@H](C)N[C@H](C)C2CC2)s1 ZINC000135007531 364421815 /nfs/dbraw/zinc/42/18/15/364421815.db2.gz SHOYXKOLVZNRBJ-RNFRBKRXSA-N 0 1 211.334 2.296 20 0 BEADMN Cc1nnc([C@H](C)N[C@H](C)C2CC2)s1 ZINC000135007555 364422175 /nfs/dbraw/zinc/42/21/75/364422175.db2.gz SHOYXKOLVZNRBJ-RQJHMYQMSA-N 0 1 211.334 2.296 20 0 BEADMN C[C@@H](CNCc1cscn1)c1nccs1 ZINC000134987645 364422326 /nfs/dbraw/zinc/42/23/26/364422326.db2.gz HGRVAONUSIZRPI-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN c1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)co1 ZINC000182063416 366863259 /nfs/dbraw/zinc/86/32/59/366863259.db2.gz QYZJDRWIUVCCIY-XQQFMLRXSA-N 0 1 248.326 2.112 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@@H](C)c1cc(C)on1 ZINC000453341535 202743204 /nfs/dbraw/zinc/74/32/04/202743204.db2.gz CIRQMKMXNUSLAX-NHCYSSNCSA-N 0 1 226.320 2.183 20 0 BEADMN COCc1nc(CNCC2(C)CC2)cs1 ZINC000380254610 366860499 /nfs/dbraw/zinc/86/04/99/366860499.db2.gz PYWNYWRUNBFQAD-UHFFFAOYSA-N 0 1 226.345 2.179 20 0 BEADMN CC[C@H]1CCCN([C@H](C)C(=O)OC)CC1 ZINC000246754785 364608683 /nfs/dbraw/zinc/60/86/83/364608683.db2.gz SLOZFFACWIBHRG-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCCc1ncc(CN[C@H](C)[C@H](C)OC)o1 ZINC000453388303 202751613 /nfs/dbraw/zinc/75/16/13/202751613.db2.gz PERPFEOXNVPEOU-ZJUUUORDSA-N 0 1 226.320 2.140 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc[nH]2)C1 ZINC000619132888 364663335 /nfs/dbraw/zinc/66/33/35/364663335.db2.gz QWVWNYRTDOIYOH-NXEZZACHSA-N 0 1 221.304 2.060 20 0 BEADMN CC[C@@H](NCc1ccco1)[C@@H](O)C(F)(F)F ZINC000270860300 364745600 /nfs/dbraw/zinc/74/56/00/364745600.db2.gz CTVWASBNPONDDJ-RKDXNWHRSA-N 0 1 237.221 2.071 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630875381 364721130 /nfs/dbraw/zinc/72/11/30/364721130.db2.gz VMWIXGVYNDBCEB-ZCFIWIBFSA-N 0 1 249.236 2.299 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000167584910 364798056 /nfs/dbraw/zinc/79/80/56/364798056.db2.gz LHRZGQAGXOFXPP-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN c1ccc([C@@H]2CCN(Cc3ncccn3)C2)cc1 ZINC000191973174 364778161 /nfs/dbraw/zinc/77/81/61/364778161.db2.gz FJTLLCXHYJUBQM-CQSZACIVSA-N 0 1 239.322 2.466 20 0 BEADMN CCc1nc(CNc2ncccc2Cl)n[nH]1 ZINC000294908197 364778301 /nfs/dbraw/zinc/77/83/01/364778301.db2.gz IWKRLYFTOCELKS-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cscn1)C(C)(C)O ZINC000294892555 364779229 /nfs/dbraw/zinc/77/92/29/364779229.db2.gz FCNNYLCSFWWSAH-WCBMZHEXSA-N 0 1 228.361 2.343 20 0 BEADMN CCc1nc(CNc2ccc(Cl)cn2)n[nH]1 ZINC000294886984 364779508 /nfs/dbraw/zinc/77/95/08/364779508.db2.gz GPRUGFKPJCYHGY-UHFFFAOYSA-N 0 1 237.694 2.028 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000167803427 364811706 /nfs/dbraw/zinc/81/17/06/364811706.db2.gz YRDDFYWQMJHBJL-WCQYABFASA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1[C@H]1C=CCCC1 ZINC000299999777 364841120 /nfs/dbraw/zinc/84/11/20/364841120.db2.gz OPNZHIIIWQLQQZ-XQHKEYJVSA-N 0 1 235.327 2.280 20 0 BEADMN c1ccc(C2=CCC[N@H+](C[C@H]3CCOC3)C2)nc1 ZINC000573664825 364886577 /nfs/dbraw/zinc/88/65/77/364886577.db2.gz RIWUNDDYYJJXCU-CYBMUJFWSA-N 0 1 244.338 2.207 20 0 BEADMN c1ccc(C2=CCC[N@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000573664826 364886779 /nfs/dbraw/zinc/88/67/79/364886779.db2.gz RIWUNDDYYJJXCU-ZDUSSCGKSA-N 0 1 244.338 2.207 20 0 BEADMN CC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1OC ZINC000573707702 364898245 /nfs/dbraw/zinc/89/82/45/364898245.db2.gz GSGZGFGSYHVDCO-AWEZNQCLSA-N 0 1 248.370 2.221 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000573855441 364932428 /nfs/dbraw/zinc/93/24/28/364932428.db2.gz HGEMVFMAFXDFDX-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN FC1(CN[C@@H]2COCc3ccccc32)CC1 ZINC000573906092 364940715 /nfs/dbraw/zinc/94/07/15/364940715.db2.gz SWUVXDCFIGKQHW-GFCCVEGCSA-N 0 1 221.275 2.350 20 0 BEADMN Cc1nnsc1CN1CCSCC[C@H]1C ZINC000574089837 364986159 /nfs/dbraw/zinc/98/61/59/364986159.db2.gz QFUCHJYMPQNUNM-MRVPVSSYSA-N 0 1 243.401 2.174 20 0 BEADMN COCC[N@@H+](Cc1ccno1)[C@H]1CC[C@@H](C)C1 ZINC000574379882 365046513 /nfs/dbraw/zinc/04/65/13/365046513.db2.gz JEVADTCGKJHAGX-NEPJUHHUSA-N 0 1 238.331 2.312 20 0 BEADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1cc[nH]n1 ZINC000574389329 365049841 /nfs/dbraw/zinc/04/98/41/365049841.db2.gz GMXVMGYRNXHQIC-BXUZGUMPSA-N 0 1 245.326 2.276 20 0 BEADMN CO[C@H](c1ccccc1)[C@H](C)NCc1cc[nH]n1 ZINC000574389330 365049929 /nfs/dbraw/zinc/04/99/29/365049929.db2.gz GMXVMGYRNXHQIC-FZMZJTMJSA-N 0 1 245.326 2.276 20 0 BEADMN C[C@H]1CCCC[N@H+](Cc2ncccc2[O-])C1 ZINC000574440785 365061383 /nfs/dbraw/zinc/06/13/83/365061383.db2.gz ZNZLAWOPQLBAAK-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@@H](C)F ZINC000574524654 365072440 /nfs/dbraw/zinc/07/24/40/365072440.db2.gz FVIOMQRGVFLZIJ-NXEZZACHSA-N 0 1 219.300 2.166 20 0 BEADMN C[C@H]1CCCC[N@@H+](Cc2ncccc2[O-])C1 ZINC000574440785 365061390 /nfs/dbraw/zinc/06/13/90/365061390.db2.gz ZNZLAWOPQLBAAK-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN C[C@@H]1C[C@@H](NCc2noc3ccccc32)[C@@H](C)O1 ZINC000574464440 365069155 /nfs/dbraw/zinc/06/91/55/365069155.db2.gz JHEMAIOBXOTSLF-CKYFFXLPSA-N 0 1 246.310 2.483 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccc(Cl)cn1 ZINC000574611008 365100347 /nfs/dbraw/zinc/10/03/47/365100347.db2.gz FYUXAIKSAJLRSA-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000443415807 193020813 /nfs/dbraw/zinc/02/08/13/193020813.db2.gz IIRYPCGQZGXRDM-QWHCGFSZSA-N 0 1 239.359 2.474 20 0 BEADMN c1ccc(CC[NH+]2CCN(C3CCC3)CC2)cc1 ZINC000172175090 365297762 /nfs/dbraw/zinc/29/77/62/365297762.db2.gz UGHWLGXGQBNAES-UHFFFAOYSA-N 0 1 244.382 2.399 20 0 BEADMN C[C@@H]1OCC[C@@H]1NCc1noc2ccccc21 ZINC000575761513 365356922 /nfs/dbraw/zinc/35/69/22/365356922.db2.gz CWHORRUIRVLIQY-ONGXEEELSA-N 0 1 232.283 2.095 20 0 BEADMN CCCCN(CCCO)Cc1ncc(C)s1 ZINC000182142045 366869905 /nfs/dbraw/zinc/86/99/05/366869905.db2.gz CRHZJRLDDZMALJ-UHFFFAOYSA-N 0 1 242.388 2.436 20 0 BEADMN CC(C)[C@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000172554637 365341205 /nfs/dbraw/zinc/34/12/05/365341205.db2.gz VAYHCRWHRCVKPO-QWHCGFSZSA-N 0 1 240.391 2.077 20 0 BEADMN C[C@@H](F)CC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000575935807 365421681 /nfs/dbraw/zinc/42/16/81/365421681.db2.gz FBNNFTNTEGRMCQ-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN CC[C@H](C)N1CCN(c2nccs2)CC1 ZINC000172691585 365374499 /nfs/dbraw/zinc/37/44/99/365374499.db2.gz AEQUQSCDBCURTL-JTQLQIEISA-N 0 1 225.361 2.064 20 0 BEADMN CC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000172691580 365374977 /nfs/dbraw/zinc/37/49/77/365374977.db2.gz AEQUQSCDBCURTL-SNVBAGLBSA-N 0 1 225.361 2.064 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000576066260 365473384 /nfs/dbraw/zinc/47/33/84/365473384.db2.gz JOCZTROWDFCPLB-MNOVXSKESA-N 0 1 245.244 2.371 20 0 BEADMN CC[C@]1(C)CCCN(Cc2nccn2C)C1 ZINC000174194995 365476594 /nfs/dbraw/zinc/47/65/94/365476594.db2.gz ZABIOKIGGGCMKE-CYBMUJFWSA-N 0 1 221.348 2.432 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000576066261 365473807 /nfs/dbraw/zinc/47/38/07/365473807.db2.gz JOCZTROWDFCPLB-QWRGUYRKSA-N 0 1 245.244 2.371 20 0 BEADMN CC/C=C\CCN1CCCC[C@H]1C(=O)OC ZINC000341318476 365517130 /nfs/dbraw/zinc/51/71/30/365517130.db2.gz MIWHNHPIEKUEKU-RXNFCKPNSA-N 0 1 225.332 2.370 20 0 BEADMN CCCN(CCC)C(=O)c1cccc2nn[nH]c21 ZINC000182697031 366933999 /nfs/dbraw/zinc/93/39/99/366933999.db2.gz VMGMDOZOXJFMJT-UHFFFAOYSA-N 0 1 246.314 2.220 20 0 BEADMN CCCC[C@H](C(=O)OC)N(CC)C[C@H](C)OC ZINC000361567562 366949447 /nfs/dbraw/zinc/94/94/47/366949447.db2.gz XDIUWBAKHQIQJV-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000156094887 541485582 /nfs/dbraw/zinc/48/55/82/541485582.db2.gz OXCKFESEYBZYLF-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN Cc1nc(CNC2[C@@H](C)CCC[C@@H]2C)no1 ZINC000182956176 366961934 /nfs/dbraw/zinc/96/19/34/366961934.db2.gz AVANHCTXGBEOSK-IUCAKERBSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@@H](CN(C)Cc1cncnc1)c1nccs1 ZINC000183249638 367003668 /nfs/dbraw/zinc/00/36/68/367003668.db2.gz UTKUHXIPVZGDAP-JTQLQIEISA-N 0 1 248.355 2.169 20 0 BEADMN CCC1CN(Cc2ccnn2C(C)C)C1 ZINC000453605097 202785217 /nfs/dbraw/zinc/78/52/17/202785217.db2.gz BVWULHSWKVRUNT-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN Cc1nc(CNC(C)(C)COC(C)C)[nH]c1C ZINC000579854118 367052953 /nfs/dbraw/zinc/05/29/53/367052953.db2.gz NZVXAVHGEUUYEI-UHFFFAOYSA-N 0 1 239.363 2.320 20 0 BEADMN CC(C)(C)c1nc(CSc2cnccn2)n[nH]1 ZINC000579907864 367071609 /nfs/dbraw/zinc/07/16/09/367071609.db2.gz MVQKNZPUDMQKJB-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc2nc[nH]c21 ZINC000579907337 367072222 /nfs/dbraw/zinc/07/22/22/367072222.db2.gz LDGSCEUVYAGEIV-GDGBQDQQSA-N 0 1 241.294 2.091 20 0 BEADMN CC(C)Cn1ccnc1NCC1(F)CC1 ZINC000380179321 367152745 /nfs/dbraw/zinc/15/27/45/367152745.db2.gz FVANZWVJOKKOGT-UHFFFAOYSA-N 0 1 211.284 2.453 20 0 BEADMN Cc1nnc([C@H](C)NCC2CCCC2)o1 ZINC000380279570 367169485 /nfs/dbraw/zinc/16/94/85/367169485.db2.gz YPGRTWSVSPCBMI-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)oc1C(=O)[O-] ZINC000380376885 367195329 /nfs/dbraw/zinc/19/53/29/367195329.db2.gz JIZCXLXSJRFTPY-PHIMTYICSA-N 0 1 249.310 2.374 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380426903 367206545 /nfs/dbraw/zinc/20/65/45/367206545.db2.gz UCDLCMCOCTUSRU-OUAUKWLOSA-N 0 1 225.332 2.218 20 0 BEADMN CSc1nn(C[C@H]2CCC[C@H](C)C2)c(=O)[nH]1 ZINC000194582527 367306133 /nfs/dbraw/zinc/30/61/33/367306133.db2.gz CJVDJDPQWRCUIU-IUCAKERBSA-N 0 1 241.360 2.120 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H](C3CC3)C2)on1 ZINC000581258670 367312138 /nfs/dbraw/zinc/31/21/38/367312138.db2.gz HDPIAESVSYOZFJ-NSHDSACASA-N 0 1 234.299 2.109 20 0 BEADMN COc1cccc(CN(C)C2CC2)c1OC ZINC000194722991 367320282 /nfs/dbraw/zinc/32/02/82/367320282.db2.gz IBSHGGNDZGTEDB-UHFFFAOYSA-N 0 1 221.300 2.298 20 0 BEADMN Cc1cc(CCNc2cccc(C)n2)on1 ZINC000381399991 367394008 /nfs/dbraw/zinc/39/40/08/367394008.db2.gz QRIZNADTCMYMOO-UHFFFAOYSA-N 0 1 217.272 2.341 20 0 BEADMN O=C([O-])C[N@@H+](CC12CCC(CC1)C2)C1CC1 ZINC000581374858 367406236 /nfs/dbraw/zinc/40/62/36/367406236.db2.gz FECFVRPTOXJUHB-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN CCC[C@@H](C)CC(=O)NCc1cn[nH]c1C ZINC000195448904 367361690 /nfs/dbraw/zinc/36/16/90/367361690.db2.gz ZRXAWPGUKMLPCC-SECBINFHSA-N 0 1 223.320 2.161 20 0 BEADMN CC1CCC(N(Cc2nncn2C)C2CC2)CC1 ZINC000195514881 367366063 /nfs/dbraw/zinc/36/60/63/367366063.db2.gz ZYGANZDLYOBGJT-UHFFFAOYSA-N 0 1 248.374 2.358 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1ncc(C)s1 ZINC000381994724 367476887 /nfs/dbraw/zinc/47/68/87/367476887.db2.gz IGFSUMLYMVLRGQ-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H]1CCCC1(F)F ZINC000381656577 367444581 /nfs/dbraw/zinc/44/45/81/367444581.db2.gz ZOKMBHMGISWVRP-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CCn1ccnc1CN[C@@H]1CC12CCCC2 ZINC000381749862 367454458 /nfs/dbraw/zinc/45/44/58/367454458.db2.gz QVSGMWDRWQBHSD-LLVKDONJSA-N 0 1 219.332 2.325 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cccc(F)c1F ZINC000381772986 367456453 /nfs/dbraw/zinc/45/64/53/367456453.db2.gz WLGZGZCGXWZQMC-WDEREUQCSA-N 0 1 227.254 2.232 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000382542436 367535725 /nfs/dbraw/zinc/53/57/25/367535725.db2.gz VTTRLYGXJJSIBB-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1ccc(CCN[C@@H]2CCn3ccnc32)o1 ZINC000581530558 367552909 /nfs/dbraw/zinc/55/29/09/367552909.db2.gz ZIKYPPVNHQGRME-GFCCVEGCSA-N 0 1 231.299 2.062 20 0 BEADMN CCOC(=O)C1CCN(C[C@H](F)CC)CC1 ZINC000440715653 201510769 /nfs/dbraw/zinc/51/07/69/201510769.db2.gz XBAANNPJNHWEET-LLVKDONJSA-N 0 1 231.311 2.010 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@@H](SC)C1 ZINC000382962696 367573552 /nfs/dbraw/zinc/57/35/52/367573552.db2.gz PCJKHEHGUNZNBN-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000383352701 367615258 /nfs/dbraw/zinc/61/52/58/367615258.db2.gz BGFOWTLSWMLMLS-GFCCVEGCSA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@@H](F)CN1CCc2ccccc2[C@H]1CO ZINC000440767559 201513423 /nfs/dbraw/zinc/51/34/23/201513423.db2.gz SWPJBHCIBKIAGL-TZMCWYRMSA-N 0 1 237.318 2.326 20 0 BEADMN Cc1ccsc1C[N@H+](C)[C@@H](C(=O)[O-])C1CC1 ZINC000383631904 367645972 /nfs/dbraw/zinc/64/59/72/367645972.db2.gz BVPHJNLLDYLKGX-LLVKDONJSA-N 0 1 239.340 2.352 20 0 BEADMN C[C@@H](CC(C)(C)C)NCc1ncccn1 ZINC000384468143 367693002 /nfs/dbraw/zinc/69/30/02/367693002.db2.gz QGEBJQFYHSVDBD-JTQLQIEISA-N 0 1 207.321 2.391 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cscn1 ZINC000384734119 367724116 /nfs/dbraw/zinc/72/41/16/367724116.db2.gz KGVMTMFTKGBVOK-KATARQTJSA-N 0 1 226.345 2.360 20 0 BEADMN Clc1ccc(-c2noc([C@H]3CCN3)n2)cc1 ZINC000384739147 367725247 /nfs/dbraw/zinc/72/52/47/367725247.db2.gz CODBGOGJJGIEFL-SECBINFHSA-N 0 1 235.674 2.424 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCC1=CCCCC1 ZINC000384764542 367728755 /nfs/dbraw/zinc/72/87/55/367728755.db2.gz AYNWPTYGUZDWCS-GFCCVEGCSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)[C@@H](C)O1 ZINC000384834852 367740394 /nfs/dbraw/zinc/74/03/94/367740394.db2.gz YMZZNVKLWMELOW-PZWNZHSQSA-N 0 1 235.331 2.044 20 0 BEADMN COCC(COC)N[C@H](C)c1ccccc1F ZINC000384866728 367746565 /nfs/dbraw/zinc/74/65/65/367746565.db2.gz PXTKMNFAUGHQSO-SNVBAGLBSA-N 0 1 241.306 2.138 20 0 BEADMN CC/C=C/CNC(=O)c1ccc(F)cc1O ZINC000384962567 367766470 /nfs/dbraw/zinc/76/64/70/367766470.db2.gz HLQVADFINWBYRX-ONEGZZNKSA-N 0 1 223.247 2.227 20 0 BEADMN C[C@H]1CCSCC[N@H+]1CCCCC(=O)[O-] ZINC000385240716 367812275 /nfs/dbraw/zinc/81/22/75/367812275.db2.gz ZPESMBONHLOFCT-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN COC(=O)c1[nH]c(CN2CCCCC2)cc1C ZINC000259280360 370888615 /nfs/dbraw/zinc/88/86/15/370888615.db2.gz AEICKJKQRLGOIM-UHFFFAOYSA-N 0 1 236.315 2.096 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)s1 ZINC000385112916 367793794 /nfs/dbraw/zinc/79/37/94/367793794.db2.gz JGWQAFPAYMJWOL-SZEHBUNVSA-N 0 1 226.345 2.107 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@@H](C)O[C@H]2C)s1 ZINC000385112909 367793885 /nfs/dbraw/zinc/79/38/85/367793885.db2.gz JGWQAFPAYMJWOL-FKTZTGRPSA-N 0 1 226.345 2.107 20 0 BEADMN CCn1ccnc1CN[C@@H]1C[C@H]1CC(C)C ZINC000385806065 367865526 /nfs/dbraw/zinc/86/55/26/367865526.db2.gz HKEDJFASFQWKKT-VXGBXAGGSA-N 0 1 221.348 2.427 20 0 BEADMN c1cc2cc(CCNCc3cocn3)ccc2[nH]1 ZINC000441203211 201541058 /nfs/dbraw/zinc/54/10/58/201541058.db2.gz LYJVINZOHUJFPO-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581834617 367838553 /nfs/dbraw/zinc/83/85/53/367838553.db2.gz UTEHFKZPPVJFOX-SCDSUCTJSA-N 0 1 249.358 2.139 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000581834615 367838685 /nfs/dbraw/zinc/83/86/85/367838685.db2.gz UTEHFKZPPVJFOX-OSMZGAPFSA-N 0 1 249.358 2.139 20 0 BEADMN CC[C@@H](C[N@@H+](C)C1(C(=O)[O-])CCCCC1)OC ZINC000386614164 368001268 /nfs/dbraw/zinc/00/12/68/368001268.db2.gz XEPFVHBNUNYMHC-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CN[C@@H](CC(C)(C)C)c1nc(-c2ncc[nH]2)no1 ZINC000386519961 367985743 /nfs/dbraw/zinc/98/57/43/367985743.db2.gz XMPSALGUBVXPGE-QMMMGPOBSA-N 0 1 249.318 2.156 20 0 BEADMN CSc1ccccc1NC(=O)[C@@H](C)N(C)C ZINC000015258402 368061992 /nfs/dbraw/zinc/06/19/92/368061992.db2.gz UUABIMCMCVEPAU-SECBINFHSA-N 0 1 238.356 2.297 20 0 BEADMN CC[C@H](NCc1c(F)cccc1F)[C@@H](C)O ZINC000386785912 368021756 /nfs/dbraw/zinc/02/17/56/368021756.db2.gz NIMOQEMIJWJVTA-PELKAZGASA-N 0 1 229.270 2.214 20 0 BEADMN Cc1nnc(CN(C2CC2)C2CCCC2)o1 ZINC000103466397 368252495 /nfs/dbraw/zinc/25/24/95/368252495.db2.gz JNGYLRSYKWSFRM-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)n[nH]1 ZINC000032355408 368258089 /nfs/dbraw/zinc/25/80/89/368258089.db2.gz SXTMYRKDRHKNRW-SECBINFHSA-N 0 1 237.347 2.479 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000041874896 368294824 /nfs/dbraw/zinc/29/48/24/368294824.db2.gz HKQQVAHJBWCCRS-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789095 368305669 /nfs/dbraw/zinc/30/56/69/368305669.db2.gz BJMYYYMQNAEELJ-SECBINFHSA-N 0 1 231.299 2.225 20 0 BEADMN C[C@@H](c1ccccc1)N(C)CC(=O)NCC1CC1 ZINC000042473722 368310737 /nfs/dbraw/zinc/31/07/37/368310737.db2.gz PGKXEXIHHPXKIP-LBPRGKRZSA-N 0 1 246.354 2.206 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@H](C)C2)o1 ZINC000058874445 368523939 /nfs/dbraw/zinc/52/39/39/368523939.db2.gz KNJZDOOPHBZAND-JTQLQIEISA-N 0 1 237.299 2.298 20 0 BEADMN CCn1ccnc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000060339995 368539425 /nfs/dbraw/zinc/53/94/25/368539425.db2.gz GZNSQAVSRSNUKZ-RYUDHWBXSA-N 0 1 221.348 2.381 20 0 BEADMN CCN(CC(=O)N1CCCC1)Cc1ccccc1 ZINC000061758222 368568034 /nfs/dbraw/zinc/56/80/34/368568034.db2.gz ZRJHQXCBRTWODB-UHFFFAOYSA-N 0 1 246.354 2.131 20 0 BEADMN C[C@H](NCC1=NOCC1)c1ccccc1 ZINC001642534968 1172369566 /nfs/dbraw/zinc/36/95/66/1172369566.db2.gz NMXZGWKCJKPZIK-JTQLQIEISA-N 0 1 204.273 2.114 20 0 BEADMN CC(C)[C@@H]1CN(C)CCN1C(=O)CC(C)(C)C ZINC000154013610 326125120 /nfs/dbraw/zinc/12/51/20/326125120.db2.gz CFEBWOYFKCVHDP-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000457269463 203030961 /nfs/dbraw/zinc/03/09/61/203030961.db2.gz GZBYXPYGXIZLMN-JSGCOSHPSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000457269467 203031143 /nfs/dbraw/zinc/03/11/43/203031143.db2.gz GZBYXPYGXIZLMN-TZMCWYRMSA-N 0 1 249.358 2.202 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000457269465 203031344 /nfs/dbraw/zinc/03/13/44/203031344.db2.gz GZBYXPYGXIZLMN-OCCSQVGLSA-N 0 1 249.358 2.202 20 0 BEADMN CCOCCC(=O)Nc1ccc(F)c(F)c1O ZINC000457285527 203033514 /nfs/dbraw/zinc/03/35/14/203033514.db2.gz CMHMBLGGWMPUNY-UHFFFAOYSA-N 0 1 245.225 2.036 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000457281836 203033743 /nfs/dbraw/zinc/03/37/43/203033743.db2.gz MXMFSWRKFJXIOH-YRGRVCCFSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC000457281836 203033746 /nfs/dbraw/zinc/03/37/46/203033746.db2.gz MXMFSWRKFJXIOH-YRGRVCCFSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nc2c(n1C[C@H]1CCO[C@H]1C)CCCC2 ZINC000631021019 370916193 /nfs/dbraw/zinc/91/61/93/370916193.db2.gz HMZNRPFZKAQFSA-CMPLNLGQSA-N 0 1 234.343 2.495 20 0 BEADMN CCOC(=O)c1cc(-c2ncc(C)s2)n[nH]1 ZINC000259739357 370936668 /nfs/dbraw/zinc/93/66/68/370936668.db2.gz PXHPNNSWBYTUMD-UHFFFAOYSA-N 0 1 237.284 2.018 20 0 BEADMN CC[C@H](c1ccc(Cl)cc1)N(C)CC(N)=O ZINC000069070544 368744758 /nfs/dbraw/zinc/74/47/58/368744758.db2.gz FOQMIXVXZMUZGL-LLVKDONJSA-N 0 1 240.734 2.208 20 0 BEADMN O=C([O-])C[N@@H+](CCC1CC1)C1CCCC1 ZINC000083934840 368844112 /nfs/dbraw/zinc/84/41/12/368844112.db2.gz JWKOBCKRYQTZPI-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783670 368884837 /nfs/dbraw/zinc/88/48/37/368884837.db2.gz CPGKFSNPFLFJJY-SMDDNHRTSA-N 0 1 248.326 2.329 20 0 BEADMN CC1(C)CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000087256558 368891569 /nfs/dbraw/zinc/89/15/69/368891569.db2.gz BSEKKRHOJBCQMZ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1cscc1CNCc1ccc(CO)o1 ZINC000087309659 368891736 /nfs/dbraw/zinc/89/17/36/368891736.db2.gz FFPFRUTXBFBNGR-UHFFFAOYSA-N 0 1 237.324 2.432 20 0 BEADMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CC1CCC1 ZINC000088133816 368906176 /nfs/dbraw/zinc/90/61/76/368906176.db2.gz TYNOTEHEVCNMLZ-AWEZNQCLSA-N 0 1 245.322 2.298 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)C1(N(C)C)CC1 ZINC000616186356 369019525 /nfs/dbraw/zinc/01/95/25/369019525.db2.gz TYPWVTSSPPXOFA-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN COCCC[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091782368 369020490 /nfs/dbraw/zinc/02/04/90/369020490.db2.gz BTJBEPNMNVHOFN-SECBINFHSA-N 0 1 241.287 2.007 20 0 BEADMN Cc1nnc(NC(=O)CCCCC(C)C)[nH]1 ZINC000457534017 203071949 /nfs/dbraw/zinc/07/19/49/203071949.db2.gz RQQGQVSPDLZNBI-UHFFFAOYSA-N 0 1 224.308 2.268 20 0 BEADMN CC(C)(F)CCNC(=O)c1ccc2cncn2c1 ZINC000618411550 369140088 /nfs/dbraw/zinc/14/00/88/369140088.db2.gz IONJFIZJWNHMBE-UHFFFAOYSA-N 0 1 249.289 2.202 20 0 BEADMN CCC(CC)CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155406543 326195573 /nfs/dbraw/zinc/19/55/73/326195573.db2.gz HCAAEYDRNJBVFH-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)C(=O)NCc1ccc2cncn2c1 ZINC000457974757 203121003 /nfs/dbraw/zinc/12/10/03/203121003.db2.gz KZODUESLQZHNSB-NSHDSACASA-N 0 1 245.326 2.387 20 0 BEADMN CCC[C@H](NC(=O)CN(C)C)C1CCCC1 ZINC000458340866 203159786 /nfs/dbraw/zinc/15/97/86/203159786.db2.gz NFSGTVPMXXDUBB-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@](C)(NC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC000618952781 369245396 /nfs/dbraw/zinc/24/53/96/369245396.db2.gz KKXNISGEVAJEKD-CYBMUJFWSA-N 0 1 235.331 2.335 20 0 BEADMN CCN(C#N)CCN1CC=C(C(C)(C)C)CC1 ZINC001642602599 1172381444 /nfs/dbraw/zinc/38/14/44/1172381444.db2.gz DPIDVCBSGFPPNC-UHFFFAOYSA-N 0 1 235.375 2.468 20 0 BEADMN CC[C@@H]1CCCN1Cc1cc(COC)on1 ZINC000459332324 203259285 /nfs/dbraw/zinc/25/92/85/203259285.db2.gz VPXMZNNRGKVDNR-LLVKDONJSA-N 0 1 224.304 2.195 20 0 BEADMN CCn1nncc1CN1CCC[C@](C)(CC)C1 ZINC000459341856 203260358 /nfs/dbraw/zinc/26/03/58/203260358.db2.gz FQSWGTBZNQXRSJ-ZDUSSCGKSA-N 0 1 236.363 2.310 20 0 BEADMN COCc1cc(CN2C[C@H](C)CC2(C)C)no1 ZINC000459335094 203261524 /nfs/dbraw/zinc/26/15/24/203261524.db2.gz BIHQDNPUOICOJU-SNVBAGLBSA-N 0 1 238.331 2.441 20 0 BEADMN O=c1cc(CN2CCC23CCC3)nc(C2CC2)[nH]1 ZINC000459346882 203264406 /nfs/dbraw/zinc/26/44/06/203264406.db2.gz QRHJUQVUXVRWKK-UHFFFAOYSA-N 0 1 245.326 2.188 20 0 BEADMN COCc1cc(CN2CC[C@@H](C3CC3)C2)no1 ZINC000459346652 203265196 /nfs/dbraw/zinc/26/51/96/203265196.db2.gz ULZSASFSFTUQIK-LLVKDONJSA-N 0 1 236.315 2.053 20 0 BEADMN COCc1cc(CN2C[C@@H](C)C[C@@H]2C)no1 ZINC000459385566 203270721 /nfs/dbraw/zinc/27/07/21/203270721.db2.gz YXDPUYIUYLEVDC-UWVGGRQHSA-N 0 1 224.304 2.051 20 0 BEADMN CCOCCOC1CN(C[C@@H](C)CC(C)C)C1 ZINC000459472688 203287057 /nfs/dbraw/zinc/28/70/57/203287057.db2.gz XWUCVVHHXHXMBO-ZDUSSCGKSA-N 0 1 243.391 2.406 20 0 BEADMN CCOC(=O)[C@H]1CCCN1C1CC2(CCC2)C1 ZINC000459471545 203288396 /nfs/dbraw/zinc/28/83/96/203288396.db2.gz BBCHJQRIVZOTOV-GFCCVEGCSA-N 0 1 237.343 2.347 20 0 BEADMN COCc1cc(CN(C)[C@H]2CC[C@@H](C)C2)no1 ZINC000459508942 203292807 /nfs/dbraw/zinc/29/28/07/203292807.db2.gz NGIIDJBDAMZLHK-PWSUYJOCSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN(C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000459508943 203293194 /nfs/dbraw/zinc/29/31/94/203293194.db2.gz NGIIDJBDAMZLHK-ZYHUDNBSSA-N 0 1 238.331 2.441 20 0 BEADMN COCc1cc(CN[C@H](C)CCC2CC2)no1 ZINC000459511429 203293801 /nfs/dbraw/zinc/29/38/01/203293801.db2.gz AUFINNUDYGSHAY-SNVBAGLBSA-N 0 1 238.331 2.489 20 0 BEADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1ncnn1C ZINC000459501449 203293919 /nfs/dbraw/zinc/29/39/19/203293919.db2.gz ZSNMXHPADMGIDU-KPPDAEKUSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1cc(CN[C@H](CO)CCC(C)(C)C)no1 ZINC000459520186 203295926 /nfs/dbraw/zinc/29/59/26/203295926.db2.gz FTSAILGWLDMLHW-NSHDSACASA-N 0 1 240.347 2.260 20 0 BEADMN C[C@H]1CCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459410981 203276746 /nfs/dbraw/zinc/27/67/46/203276746.db2.gz DLPADMMOJJNMTR-JOYOIKCWSA-N 0 1 247.342 2.338 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CCCC[C@H]2O)no1 ZINC000459429678 203281668 /nfs/dbraw/zinc/28/16/68/203281668.db2.gz QCUUDWGCGGLVLN-CHWSQXEVSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CCCC[C@@H]2O)no1 ZINC000459429680 203281755 /nfs/dbraw/zinc/28/17/55/203281755.db2.gz QCUUDWGCGGLVLN-QWHCGFSZSA-N 0 1 238.331 2.014 20 0 BEADMN COc1nccc(CN2CC(C3CCCC3)C2)n1 ZINC000459609148 203315250 /nfs/dbraw/zinc/31/52/50/203315250.db2.gz IVXDNRIQZUUJMY-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN CSc1ccc(CN2CC(CCO)C2)s1 ZINC000459592577 203308478 /nfs/dbraw/zinc/30/84/78/203308478.db2.gz MVMHOKUIBNLVKT-UHFFFAOYSA-N 0 1 243.397 2.284 20 0 BEADMN CCC1(CC)CN(Cc2cn(C)nc2C)C1 ZINC000459594293 203309179 /nfs/dbraw/zinc/30/91/79/203309179.db2.gz KPBNXTAXMWGNNV-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cc(CNCCCc2cccc(C)n2)no1 ZINC000459548367 203298246 /nfs/dbraw/zinc/29/82/46/203298246.db2.gz XTKKOZAOEJJZTD-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN COCc1cc(CN(C)[C@@H](C)C2CCC2)no1 ZINC000459552511 203298680 /nfs/dbraw/zinc/29/86/80/203298680.db2.gz UNYBMHNDLDVDBQ-JTQLQIEISA-N 0 1 238.331 2.441 20 0 BEADMN Cc1cc(CNC[C@@H]2C[C@H]2C2CC2)no1 ZINC000459559939 203302263 /nfs/dbraw/zinc/30/22/63/203302263.db2.gz JMRREVVVCCPRNZ-JQWIXIFHSA-N 0 1 206.289 2.119 20 0 BEADMN Cc1cc(CNCCCc2ncccc2C)no1 ZINC000459567699 203302774 /nfs/dbraw/zinc/30/27/74/203302774.db2.gz AAYORZKSNIGFOT-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(C)cn1 ZINC000623677740 369372106 /nfs/dbraw/zinc/37/21/06/369372106.db2.gz TUCIASQUBBTGAV-OLZOCXBDSA-N 0 1 220.316 2.047 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ncc(C)s2)C1 ZINC000459628674 203323854 /nfs/dbraw/zinc/32/38/54/203323854.db2.gz GESQVGDFSCVJQQ-AOOOYVTPSA-N 0 1 226.345 2.109 20 0 BEADMN COCCC1(C)CN(C/C=C/c2ccncc2)C1 ZINC000459634885 203326407 /nfs/dbraw/zinc/32/64/07/203326407.db2.gz NPLNIYLLIRABPG-ONEGZZNKSA-N 0 1 246.354 2.453 20 0 BEADMN CCOC[C@H]1CCCCN1Cc1ccnc(C)n1 ZINC000459676295 203335652 /nfs/dbraw/zinc/33/56/52/203335652.db2.gz NNNYKXHEEQUHCL-CQSZACIVSA-N 0 1 249.358 2.176 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1ccnc(C)n1 ZINC000459676294 203335940 /nfs/dbraw/zinc/33/59/40/203335940.db2.gz NNNYKXHEEQUHCL-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2CC2)c1 ZINC000060365732 369475708 /nfs/dbraw/zinc/47/57/08/369475708.db2.gz MJOOYDPGUIDFJU-UHFFFAOYSA-N 0 1 229.283 2.106 20 0 BEADMN CCNC(=O)CN(C)[C@@H](C)c1cccc(C)c1 ZINC000072578705 369477130 /nfs/dbraw/zinc/47/71/30/369477130.db2.gz LINDDAKBJKXIOT-LBPRGKRZSA-N 0 1 234.343 2.124 20 0 BEADMN COC(=O)CC1(CN2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000619649559 369507321 /nfs/dbraw/zinc/50/73/21/369507321.db2.gz NWAVZOQJLCXWKZ-QWRGUYRKSA-N 0 1 243.322 2.010 20 0 BEADMN CCOC1CCN(Cc2c(C)noc2C)CC1 ZINC000060493677 369488007 /nfs/dbraw/zinc/48/80/07/369488007.db2.gz GBAQYFAHPHEUGY-UHFFFAOYSA-N 0 1 238.331 2.292 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nccn1C(C)C ZINC000459779153 203364429 /nfs/dbraw/zinc/36/44/29/203364429.db2.gz PYQUFBQHTXFVBJ-NEPJUHHUSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1ccccc1CNC(=O)[C@@H]1CCCCN1C ZINC000082305397 370983158 /nfs/dbraw/zinc/98/31/58/370983158.db2.gz RVTQGICFHDIVDB-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN O=C(CCN1C[C@@H]2C[C@H]1CS2)c1ccccc1 ZINC000459798456 203372434 /nfs/dbraw/zinc/37/24/34/203372434.db2.gz UTZDZNXNKMTVSC-STQMWFEESA-N 0 1 247.363 2.449 20 0 BEADMN C[C@@H]1CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000620213601 369773229 /nfs/dbraw/zinc/77/32/29/369773229.db2.gz BCODGYQAMXLSRA-SSDOTTSWSA-N 0 1 225.675 2.280 20 0 BEADMN CCN(CCOC)Cc1ccc(OC)cc1F ZINC000568031410 326298334 /nfs/dbraw/zinc/29/83/34/326298334.db2.gz XKTVQKMLTKXJPQ-UHFFFAOYSA-N 0 1 241.306 2.303 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000568074561 326304973 /nfs/dbraw/zinc/30/49/73/326304973.db2.gz MJHZUZCQZYHMPY-DGCLKSJQSA-N 0 1 227.348 2.465 20 0 BEADMN CCN(CC1CC1)[C@H](C)c1nnc(C)o1 ZINC000157977210 326302565 /nfs/dbraw/zinc/30/25/65/326302565.db2.gz YOCPEEBEZAHTJJ-MRVPVSSYSA-N 0 1 209.293 2.171 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cnc[nH]1 ZINC000620575218 369932997 /nfs/dbraw/zinc/93/29/97/369932997.db2.gz MAMJVIVAJHFORL-VHSXEESVSA-N 0 1 221.304 2.203 20 0 BEADMN CC1CCN(CC(=O)NC2CC(C)(C)C2)CC1 ZINC000620740728 369987507 /nfs/dbraw/zinc/98/75/07/369987507.db2.gz HQGKKDZAGUUWLQ-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC1(C)CC(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000620740947 369987649 /nfs/dbraw/zinc/98/76/49/369987649.db2.gz BEQXOCKJPMMWIR-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000620902823 370050891 /nfs/dbraw/zinc/05/08/91/370050891.db2.gz CDTDZHHPUNYHPI-VXNVDRBHSA-N 0 1 215.256 2.157 20 0 BEADMN Cc1cnc(NC(=O)c2[nH]c(C)nc2C)s1 ZINC000621342227 370275297 /nfs/dbraw/zinc/27/52/97/370275297.db2.gz NQWASKBBYSMPRZ-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CCNC(=O)CN(C)Cc1c(C)cc(C)cc1C ZINC000064953221 370387913 /nfs/dbraw/zinc/38/79/13/370387913.db2.gz BUYNEWUWJURJNG-UHFFFAOYSA-N 0 1 248.370 2.180 20 0 BEADMN CC(C)(C)CCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621561863 370388752 /nfs/dbraw/zinc/38/87/52/370388752.db2.gz ZRSLYJXUTZTBIB-UHFFFAOYSA-N 0 1 237.347 2.240 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1CCCCF ZINC000568290479 326342030 /nfs/dbraw/zinc/34/20/30/326342030.db2.gz KMNXJSUIBSFYHK-VWYCJHECSA-N 0 1 231.311 2.310 20 0 BEADMN Cc1nccnc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000621713456 370461499 /nfs/dbraw/zinc/46/14/99/370461499.db2.gz KZFVHCZGWPRHCK-UWVGGRQHSA-N 0 1 237.372 2.111 20 0 BEADMN CCOc1cncc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000621725433 370476644 /nfs/dbraw/zinc/47/66/44/370476644.db2.gz OFQSEHMAPJPNGF-QWRGUYRKSA-N 0 1 220.316 2.463 20 0 BEADMN CC(=O)N1CC[C@H](NCCF)c2ccccc21 ZINC000621761328 370507095 /nfs/dbraw/zinc/50/70/95/370507095.db2.gz CAVBRYHGXOJGRX-LBPRGKRZSA-N 0 1 236.290 2.043 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cccc(F)c1O ZINC001642769156 1172398307 /nfs/dbraw/zinc/39/83/07/1172398307.db2.gz MFZOBCOGVFAZSI-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN Cc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccn1 ZINC000621773789 370517708 /nfs/dbraw/zinc/51/77/08/370517708.db2.gz BVXCCYAWHGDWCU-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nccnc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000621732299 370487829 /nfs/dbraw/zinc/48/78/29/370487829.db2.gz VYYFFHDEXMPUNB-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN COc1ccc(F)c(CNC2CSC2)c1 ZINC000621733419 370488782 /nfs/dbraw/zinc/48/87/82/370488782.db2.gz LVQOTOYVEITEOY-UHFFFAOYSA-N 0 1 227.304 2.039 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(c2ccccc2)C1 ZINC000621734922 370491799 /nfs/dbraw/zinc/49/17/99/370491799.db2.gz ZSGAXSPIULLELE-UHFFFAOYSA-N 0 1 241.338 2.492 20 0 BEADMN C[C@H]1CCN(Cc2ccc(Cl)o2)C[C@H]1CO ZINC000621738921 370496218 /nfs/dbraw/zinc/49/62/18/370496218.db2.gz XKVYDMKWAFMMJX-UWVGGRQHSA-N 0 1 243.734 2.383 20 0 BEADMN COc1cccc(CN2CC(CC3CC3)C2)n1 ZINC000621740317 370499507 /nfs/dbraw/zinc/49/95/07/370499507.db2.gz JWSAYJPVCKZCOX-UHFFFAOYSA-N 0 1 232.327 2.322 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2scnc2C)[nH]1 ZINC000621915331 370597250 /nfs/dbraw/zinc/59/72/50/370597250.db2.gz ZHMAEFDBSKXDLL-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CC(C)[C@H](C)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621878429 370576883 /nfs/dbraw/zinc/57/68/83/370576883.db2.gz NPZDVIVVVZFVDL-SNVBAGLBSA-N 0 1 237.347 2.096 20 0 BEADMN CCN(CCC1CC1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621953981 370618066 /nfs/dbraw/zinc/61/80/66/370618066.db2.gz DFVNQCZFDAIPJM-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN CC(C)(C(=O)NCC1CC(C)(C)C1)c1cnc[nH]1 ZINC000621965941 370625205 /nfs/dbraw/zinc/62/52/05/370625205.db2.gz KAPLJNGQTRTNMI-UHFFFAOYSA-N 0 1 249.358 2.240 20 0 BEADMN CCOC(=O)c1cccc(CN2CCCCC2)n1 ZINC000260474914 370995983 /nfs/dbraw/zinc/99/59/83/370995983.db2.gz SJOMMQLATPMXNC-UHFFFAOYSA-N 0 1 248.326 2.244 20 0 BEADMN CC/C=C/CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000568757665 326375418 /nfs/dbraw/zinc/37/54/18/326375418.db2.gz FRRDRXGROKCWPX-ITKZLYELSA-N 0 1 211.305 2.139 20 0 BEADMN CCC[C@@H](O)CN[C@@H]1CCCc2scnc21 ZINC000623893006 371142969 /nfs/dbraw/zinc/14/29/69/371142969.db2.gz CCOOBXSSNCUYJX-NXEZZACHSA-N 0 1 240.372 2.271 20 0 BEADMN CC[C@@H](O)CCN[C@@H](C)c1nc(C)cs1 ZINC000623907249 371146852 /nfs/dbraw/zinc/14/68/52/371146852.db2.gz QMWNQCYXFMKYTA-VHSXEESVSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1csc([C@@H](C)N[C@@H](CO)CC2CC2)n1 ZINC000623924606 371158100 /nfs/dbraw/zinc/15/81/00/371158100.db2.gz HSMMYNRMUWYLHQ-MWLCHTKSSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@H]2CCCCO2)o1 ZINC000623999665 371231723 /nfs/dbraw/zinc/23/17/23/371231723.db2.gz XRPVSBMPFDHTPN-JOYOIKCWSA-N 0 1 224.304 2.030 20 0 BEADMN CN(Cc1cc(F)ccc1F)C(C)(C)CO ZINC000124780688 371234825 /nfs/dbraw/zinc/23/48/25/371234825.db2.gz PWNKODLSLIYVBN-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@@H](C)CN1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001642837342 1172408521 /nfs/dbraw/zinc/40/85/21/1172408521.db2.gz HBIRRVQJAHQTCU-OLZOCXBDSA-N 0 1 240.391 2.223 20 0 BEADMN Cc1csc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000624007021 371245116 /nfs/dbraw/zinc/24/51/16/371245116.db2.gz LCOOJKQZJKAXOA-DBIOUOCHSA-N 0 1 238.356 2.422 20 0 BEADMN Cc1csc([C@@H](C)NCCOCCF)n1 ZINC000624016875 371251509 /nfs/dbraw/zinc/25/15/09/371251509.db2.gz IWPKPGQHQDILAS-SECBINFHSA-N 0 1 232.324 2.088 20 0 BEADMN Cc1ccsc1[C@H](CO)NCc1cccnc1 ZINC001642834537 1172410267 /nfs/dbraw/zinc/41/02/67/1172410267.db2.gz SDFNEWXUUMBYBA-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN CCC(F)(F)CN[C@H](C)CCCOC ZINC000624147929 371342077 /nfs/dbraw/zinc/34/20/77/371342077.db2.gz PGQWAJIKNWPPCD-SECBINFHSA-N 0 1 209.280 2.436 20 0 BEADMN CCC(F)(F)CN[C@@H](C)CCn1cccn1 ZINC000624148147 371344440 /nfs/dbraw/zinc/34/44/40/371344440.db2.gz WOPRBASJVCLORA-JTQLQIEISA-N 0 1 231.290 2.297 20 0 BEADMN CCC(F)(F)CN[C@H](C)CCn1cccn1 ZINC000624148148 371344570 /nfs/dbraw/zinc/34/45/70/371344570.db2.gz WOPRBASJVCLORA-SNVBAGLBSA-N 0 1 231.290 2.297 20 0 BEADMN C/C=C\CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000624199332 371389695 /nfs/dbraw/zinc/38/96/95/371389695.db2.gz MHGJGPRWVPCERD-BYCRGOAPSA-N 0 1 219.332 2.446 20 0 BEADMN CC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccn(C)n1 ZINC000624223280 371411076 /nfs/dbraw/zinc/41/10/76/371411076.db2.gz QATXZQNAFNCIMQ-DYEKYZERSA-N 0 1 249.358 2.028 20 0 BEADMN CC[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccn(C)n1 ZINC000624223283 371412658 /nfs/dbraw/zinc/41/26/58/371412658.db2.gz QATXZQNAFNCIMQ-SGMGOOAPSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627370589 371588003 /nfs/dbraw/zinc/58/80/03/371588003.db2.gz FLISUSVJZSKDTM-SNVBAGLBSA-N 0 1 249.358 2.367 20 0 BEADMN CN(Cc1cnc[nH]1)c1nc2c(cccc2F)o1 ZINC001642922458 1172419291 /nfs/dbraw/zinc/41/92/91/1172419291.db2.gz WIUXAPIRRIBGHF-UHFFFAOYSA-N 0 1 246.245 2.326 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000229297911 372137404 /nfs/dbraw/zinc/13/74/04/372137404.db2.gz VVVAOZTVFZGWOW-WCQYABFASA-N 0 1 233.311 2.372 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000229297898 372137705 /nfs/dbraw/zinc/13/77/05/372137705.db2.gz VVVAOZTVFZGWOW-DGCLKSJQSA-N 0 1 233.311 2.372 20 0 BEADMN CCC[C@@H](CCO)NCc1csc(C)n1 ZINC000631196261 372228466 /nfs/dbraw/zinc/22/84/66/372228466.db2.gz JHYIQTKRCYVATI-JTQLQIEISA-N 0 1 228.361 2.092 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C/C(Cl)=C\Cl ZINC000229780061 372192657 /nfs/dbraw/zinc/19/26/57/372192657.db2.gz SLSJJZLAKURZLG-CSFIIIEKSA-N 0 1 238.114 2.100 20 0 BEADMN CC(C)(C)n1cc(CN[C@@]23C[C@@H]2CCCC3)nn1 ZINC000631225455 372247569 /nfs/dbraw/zinc/24/75/69/372247569.db2.gz IRWYMARQXAUXKU-FZMZJTMJSA-N 0 1 248.374 2.455 20 0 BEADMN CN(C(=O)c1n[nH]cc1C(F)(F)F)C1CCC1 ZINC000631526921 372409357 /nfs/dbraw/zinc/40/93/57/372409357.db2.gz CZHHBVKKACJIDX-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2NCC(C)(C)F ZINC000631660308 372486865 /nfs/dbraw/zinc/48/68/65/372486865.db2.gz FAXQEHLFNDCDAL-JTQLQIEISA-N 0 1 225.311 2.135 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cn[nH]c1 ZINC000631753763 372545546 /nfs/dbraw/zinc/54/55/46/372545546.db2.gz SSOGMFZRLPGCKV-UIISKDMLSA-N 0 1 219.210 2.011 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000172579604 373014028 /nfs/dbraw/zinc/01/40/28/373014028.db2.gz UETRLEVXLTWDGH-JTQLQIEISA-N 0 1 249.358 2.310 20 0 BEADMN O=C(Cc1ccoc1)Nc1ccc2nc[nH]c2c1 ZINC000352627945 182056262 /nfs/dbraw/zinc/05/62/62/182056262.db2.gz ZHQFWXMEAKCOND-UHFFFAOYSA-N 0 1 241.250 2.337 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1n[nH]cc1C(F)(F)F ZINC000632803413 373151465 /nfs/dbraw/zinc/15/14/65/373151465.db2.gz CXKAHGKOEWGSEZ-OLQVQODUSA-N 0 1 247.220 2.051 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)C1CSC1 ZINC000632744951 373125109 /nfs/dbraw/zinc/12/51/09/373125109.db2.gz DJODOJHUAZGQHD-UHFFFAOYSA-N 0 1 247.323 2.173 20 0 BEADMN O=C(NC1CCCCC1)c1ccc2cncn2c1 ZINC000077929497 182113229 /nfs/dbraw/zinc/11/32/29/182113229.db2.gz PFKJFOLUTRYWED-UHFFFAOYSA-N 0 1 243.310 2.397 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414929875 205787753 /nfs/dbraw/zinc/78/77/53/205787753.db2.gz OHSJSGWKDKXUOI-GHMZBOCLSA-N 0 1 232.318 2.139 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1Cc1nncn1C ZINC000173712061 373880731 /nfs/dbraw/zinc/88/07/31/373880731.db2.gz BYEHEZCNQHJRLK-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN CC1(C)CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000173680664 373848153 /nfs/dbraw/zinc/84/81/53/373848153.db2.gz WVEKOAGQXNVXLG-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN Cc1cc(CC(=O)Nc2ccsc2C)n[nH]1 ZINC000634215035 374033998 /nfs/dbraw/zinc/03/39/98/374033998.db2.gz GIOFDRUWPQONLJ-UHFFFAOYSA-N 0 1 235.312 2.269 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H](C2CCC2)CC1 ZINC000634521324 374287049 /nfs/dbraw/zinc/28/70/49/374287049.db2.gz IZBDSIVLSLEGLZ-LBPRGKRZSA-N 0 1 247.342 2.452 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1ccncc1Cl ZINC000421832396 206026553 /nfs/dbraw/zinc/02/65/53/206026553.db2.gz GWJVAKURHNMQPD-IUCAKERBSA-N 0 1 226.707 2.175 20 0 BEADMN O=C(NOCC1CC1)[C@H]1CCOc2ccccc21 ZINC000293774260 182281129 /nfs/dbraw/zinc/28/11/29/182281129.db2.gz NCQLHCCCOWPOPE-LBPRGKRZSA-N 0 1 247.294 2.011 20 0 BEADMN O=C(NOCC1CC1)[C@@H]1CCOc2ccccc21 ZINC000293774256 182281294 /nfs/dbraw/zinc/28/12/94/182281294.db2.gz NCQLHCCCOWPOPE-GFCCVEGCSA-N 0 1 247.294 2.011 20 0 BEADMN COc1ccnc(CNC2C[C@H](C)C[C@@H](C)C2)n1 ZINC000424192736 206034242 /nfs/dbraw/zinc/03/42/42/206034242.db2.gz SOGWFXPPGFIMRY-GHMZBOCLSA-N 0 1 249.358 2.400 20 0 BEADMN C[C@@H](CC1CCCC1)N[C@@H](C)c1ncn(C)n1 ZINC000437030070 206069185 /nfs/dbraw/zinc/06/91/85/206069185.db2.gz IPBYQNLMPABVJW-QWRGUYRKSA-N 0 1 236.363 2.435 20 0 BEADMN c1c[nH]c([C@H]2CCCCN2CC[C@H]2CCOC2)n1 ZINC000437717051 206070659 /nfs/dbraw/zinc/07/06/59/206070659.db2.gz LLTQUNFCBXYYFT-QWHCGFSZSA-N 0 1 249.358 2.363 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)[nH]n1 ZINC000154700726 206066863 /nfs/dbraw/zinc/06/68/63/206066863.db2.gz JYAKBGZREMREHQ-GBIKHYSHSA-N 0 1 249.358 2.202 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000269009637 182334789 /nfs/dbraw/zinc/33/47/89/182334789.db2.gz SITBOKDMLCTHNS-NSHDSACASA-N 0 1 233.315 2.094 20 0 BEADMN CCOCCOC1CN(C[C@@H]2CC=CCC2)C1 ZINC000459465144 206127249 /nfs/dbraw/zinc/12/72/49/206127249.db2.gz PFBBGWXOGGSJQW-CYBMUJFWSA-N 0 1 239.359 2.080 20 0 BEADMN CC(C)OC1CC(N2CCO[C@H](C3CC3)C2)C1 ZINC000459425434 206126370 /nfs/dbraw/zinc/12/63/70/206126370.db2.gz KGAWRXOAETUPPX-RUXDESIVSA-N 0 1 239.359 2.053 20 0 BEADMN O=C(Nc1ccc(F)cn1)c1c[nH]nc1C1CC1 ZINC000187294606 182358011 /nfs/dbraw/zinc/35/80/11/182358011.db2.gz PMFUHJLSTHUPKC-UHFFFAOYSA-N 0 1 246.245 2.074 20 0 BEADMN O=C(Nc1ccccc1)[C@@H]1CCCN1C1CC1 ZINC000279669448 182377106 /nfs/dbraw/zinc/37/71/06/182377106.db2.gz FLIGKLCBSYIVDY-ZDUSSCGKSA-N 0 1 230.311 2.252 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1=CCC1 ZINC000336582141 182397490 /nfs/dbraw/zinc/39/74/90/182397490.db2.gz JUIIBNREBQUYKQ-UHFFFAOYSA-N 0 1 231.230 2.361 20 0 BEADMN O=C(Nc1nc2ccc(F)cc2[nH]1)C1CC1 ZINC000336500395 182398469 /nfs/dbraw/zinc/39/84/69/182398469.db2.gz AVUFEIGRQGYOFT-UHFFFAOYSA-N 0 1 219.219 2.051 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)C1CCCC1 ZINC000184559295 182396654 /nfs/dbraw/zinc/39/66/54/182396654.db2.gz OFUJKKBSEOCILS-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)C1CCCC1 ZINC000184559295 182396656 /nfs/dbraw/zinc/39/66/56/182396656.db2.gz OFUJKKBSEOCILS-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045083905 182444950 /nfs/dbraw/zinc/44/49/50/182444950.db2.gz OZSBJQBPUIWBCH-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000042163619 182479034 /nfs/dbraw/zinc/47/90/34/182479034.db2.gz HCTLHPRODAMYDS-LBPRGKRZSA-N 0 1 237.274 2.265 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC2CCC1CC2 ZINC000378392772 182648161 /nfs/dbraw/zinc/64/81/61/182648161.db2.gz ZRCPRGWLLBCILX-UHFFFAOYSA-N 0 1 245.326 2.302 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](CC)C1 ZINC000043638605 170266304 /nfs/dbraw/zinc/26/63/04/170266304.db2.gz WNPOZAFEIGSLIR-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN OCC1(NCc2ccsc2Cl)CCC1 ZINC000336653167 183037466 /nfs/dbraw/zinc/03/74/66/183037466.db2.gz LJWVQYFSCKFXHW-UHFFFAOYSA-N 0 1 231.748 2.406 20 0 BEADMN OCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000372717898 183075511 /nfs/dbraw/zinc/07/55/11/183075511.db2.gz PLDIRQHZLAKBQS-LBPRGKRZSA-N 0 1 227.254 2.094 20 0 BEADMN OCC[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000310701111 183092193 /nfs/dbraw/zinc/09/21/93/183092193.db2.gz WSQSKPSDDJYFOQ-NSHDSACASA-N 0 1 246.310 2.175 20 0 BEADMN OCCN(Cc1ccco1)Cc1ccccc1 ZINC000050515198 183069209 /nfs/dbraw/zinc/06/92/09/183069209.db2.gz XEKZSBDSIPOLDZ-UHFFFAOYSA-N 0 1 231.295 2.274 20 0 BEADMN CCCC[C@H](CCC)CNC(=O)c1cnn[nH]1 ZINC000177297132 169001366 /nfs/dbraw/zinc/00/13/66/169001366.db2.gz GURXOOLROQOQTP-JTQLQIEISA-N 0 1 238.335 2.141 20 0 BEADMN OC[C@@]1(F)CCCN(CCc2ccccc2)C1 ZINC000287173976 183133944 /nfs/dbraw/zinc/13/39/44/183133944.db2.gz ZSLZBLCBEPUGAC-CQSZACIVSA-N 0 1 237.318 2.026 20 0 BEADMN OC[C@H](NCCCF)c1cccc(Cl)c1F ZINC000309580565 183139941 /nfs/dbraw/zinc/13/99/41/183139941.db2.gz QFLRJAOJWAGIMU-JTQLQIEISA-N 0 1 249.688 2.462 20 0 BEADMN OC[C@H]1CCN(Cc2cc(F)ccc2Cl)C1 ZINC000165819773 183153568 /nfs/dbraw/zinc/15/35/68/183153568.db2.gz OBFSXMVGYMWYEZ-VIFPVBQESA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@]1(NC/C=C/Cl)CCc2ccccc21 ZINC000305720407 183158650 /nfs/dbraw/zinc/15/86/50/183158650.db2.gz JLQAOVRQOAEVNO-ZHAHRWAOSA-N 0 1 237.730 2.163 20 0 BEADMN O[C@@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000323523911 183196654 /nfs/dbraw/zinc/19/66/54/183196654.db2.gz INUBHCHBGZRRNB-VXGBXAGGSA-N 0 1 243.709 2.482 20 0 BEADMN CCCN(C)CC(=O)Nc1sc(C)nc1C ZINC000340808823 169076715 /nfs/dbraw/zinc/07/67/15/169076715.db2.gz AWKUHPBQQVSVLS-UHFFFAOYSA-N 0 1 241.360 2.040 20 0 BEADMN CCCN(C)CC(=O)N(C)c1cccc(C)c1 ZINC000355594357 169064747 /nfs/dbraw/zinc/06/47/47/169064747.db2.gz GDAUBMAOMNBBLZ-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN O[C@@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000290186623 183194330 /nfs/dbraw/zinc/19/43/30/183194330.db2.gz ZQTSZMPLYZNHLM-CYBMUJFWSA-N 0 1 247.338 2.185 20 0 BEADMN O[C@@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000336354373 183194497 /nfs/dbraw/zinc/19/44/97/183194497.db2.gz XJRBFEXGQCWFOP-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN O[C@@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000335703293 183194514 /nfs/dbraw/zinc/19/45/14/183194514.db2.gz HQPUKRZYNAXMRU-LLVKDONJSA-N 0 1 246.310 2.175 20 0 BEADMN CCCN(CC(=O)OC)CC1(SC)CCC1 ZINC000356089689 169099927 /nfs/dbraw/zinc/09/99/27/169099927.db2.gz QPZMRJOTPWJMHV-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN O[C@H](CNC/C=C\c1ccccc1)C(F)(F)F ZINC000310047689 183223062 /nfs/dbraw/zinc/22/30/62/183223062.db2.gz HTFUZKMEIIEWOH-MEQVVJDKSA-N 0 1 245.244 2.213 20 0 BEADMN O[C@H](CNCc1ccco1)c1ccccc1F ZINC000033465319 183223854 /nfs/dbraw/zinc/22/38/54/183223854.db2.gz KLZMGXFHLYILRE-CYBMUJFWSA-N 0 1 235.258 2.242 20 0 BEADMN O[C@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000070880848 183223866 /nfs/dbraw/zinc/22/38/66/183223866.db2.gz UVAVKWDSVJBANQ-GFCCVEGCSA-N 0 1 243.709 2.340 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccc(CC)cc1 ZINC000172309935 169094495 /nfs/dbraw/zinc/09/44/95/169094495.db2.gz XRXWAOVONDIHLM-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCCN(CC(=O)NC)Cc1cccc(CC)c1 ZINC000188857113 169094504 /nfs/dbraw/zinc/09/45/04/169094504.db2.gz HGESTSDTGLIBJK-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCCN(CC(=O)Nc1ccccc1)C1CC1 ZINC000171682834 169096947 /nfs/dbraw/zinc/09/69/47/169096947.db2.gz MGHHRLXYMVYFBY-UHFFFAOYSA-N 0 1 232.327 2.500 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccsc1 ZINC000038021982 169098652 /nfs/dbraw/zinc/09/86/52/169098652.db2.gz GFEBTQIPGLMYGV-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN O[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000279716552 183239157 /nfs/dbraw/zinc/23/91/57/183239157.db2.gz LTMGCVOYVILPJB-NSHDSACASA-N 0 1 227.254 2.191 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc(C)cc1C ZINC000339712818 169110462 /nfs/dbraw/zinc/11/04/62/169110462.db2.gz YSHMYOSJPQPBNG-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268123788 169115772 /nfs/dbraw/zinc/11/57/72/169115772.db2.gz CEZRDVRSODTEBU-SNVBAGLBSA-N 0 1 235.331 2.088 20 0 BEADMN CCCN(CC)C(=O)c1ccc2cncn2c1 ZINC000284642722 169118919 /nfs/dbraw/zinc/11/89/19/169118919.db2.gz XDOVKEQDKPXTIP-UHFFFAOYSA-N 0 1 231.299 2.206 20 0 BEADMN CCCN(CC)CC(=O)N1CCc2ccccc21 ZINC000299384553 169121212 /nfs/dbraw/zinc/12/12/12/169121212.db2.gz PHPYGGMOCFWIBD-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN CCCN(CC(=O)c1cccn1C)CC1CC1 ZINC000042221327 169102323 /nfs/dbraw/zinc/10/23/23/169102323.db2.gz YWAVPFOFMRAXNQ-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN O[C@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000335703294 183235076 /nfs/dbraw/zinc/23/50/76/183235076.db2.gz HQPUKRZYNAXMRU-NSHDSACASA-N 0 1 246.310 2.175 20 0 BEADMN CCCN(CCC)Cc1oncc1C(=O)OC ZINC000286124543 169150395 /nfs/dbraw/zinc/15/03/95/169150395.db2.gz WBPZUXYEILCOGH-UHFFFAOYSA-N 0 1 240.303 2.083 20 0 BEADMN CCCN(CC)Cc1ccoc1C(=O)OC ZINC000299401185 169130285 /nfs/dbraw/zinc/13/02/85/169130285.db2.gz VVQXWZZJLRDVQW-UHFFFAOYSA-N 0 1 225.288 2.298 20 0 BEADMN Oc1ccc(CNCc2cccnc2)cc1F ZINC000083358634 183270501 /nfs/dbraw/zinc/27/05/01/183270501.db2.gz FFWDSYHFJXKUOQ-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN CCCN(CC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000270671033 169131940 /nfs/dbraw/zinc/13/19/40/169131940.db2.gz AIZSYTZKVDVOKI-GFCCVEGCSA-N 0 1 238.306 2.084 20 0 BEADMN Oc1ccc(F)c(CN[C@H]2CCSC2)c1F ZINC000293634655 183273397 /nfs/dbraw/zinc/27/33/97/183273397.db2.gz NJUDXSPPYCIEIE-ZETCQYMHSA-N 0 1 245.294 2.266 20 0 BEADMN Oc1ccc2c(c1)CN(CCOCC1CC1)CC2 ZINC000336720024 183279493 /nfs/dbraw/zinc/27/94/93/183279493.db2.gz WEWLYZDEQCPTOU-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN CCCN(CCC)C(=O)[C@H](N)c1ccccc1 ZINC000019506945 169144543 /nfs/dbraw/zinc/14/45/43/169144543.db2.gz LKGFXUXMEGEUGK-CYBMUJFWSA-N 0 1 234.343 2.335 20 0 BEADMN CCC[N@@H+](CCCc1ccccc1)CC(=O)[O-] ZINC000038021808 169156999 /nfs/dbraw/zinc/15/69/99/169156999.db2.gz CZTJVCIJNHTIEA-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN CCCN(Cc1cnns1)CC(C)C ZINC000336683448 169180375 /nfs/dbraw/zinc/18/03/75/169180375.db2.gz IXMMCZIWQRPOEZ-UHFFFAOYSA-N 0 1 213.350 2.406 20 0 BEADMN CCCN(Cc1nc(CC)cc(=O)[nH]1)C1CC1 ZINC000176858130 169180382 /nfs/dbraw/zinc/18/03/82/169180382.db2.gz JIHUHTGYPHJKLC-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN CCCN(Cc1nnc(CC)[nH]1)CC(C)C ZINC000354784384 169181607 /nfs/dbraw/zinc/18/16/07/169181607.db2.gz DVQZPUJPVZDHST-UHFFFAOYSA-N 0 1 224.352 2.235 20 0 BEADMN c1c[nH]c([C@H](N[C@@H]2CCOC2)C2CCCCC2)n1 ZINC000353629374 183326531 /nfs/dbraw/zinc/32/65/31/183326531.db2.gz FOGJTIHBEKCVSB-CHWSQXEVSA-N 0 1 249.358 2.410 20 0 BEADMN CCCN1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000359945842 169201092 /nfs/dbraw/zinc/20/10/92/169201092.db2.gz HGXPOLNETREXKG-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN c1cc(CCSc2nc(C3CC3)n[nH]2)ccn1 ZINC000022545855 183338795 /nfs/dbraw/zinc/33/87/95/183338795.db2.gz MXIXFELZBRXYBR-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN c1cc(CCSc2n[nH]c(C3CC3)n2)ccn1 ZINC000022545855 183338796 /nfs/dbraw/zinc/33/87/96/183338796.db2.gz MXIXFELZBRXYBR-UHFFFAOYSA-N 0 1 246.339 2.412 20 0 BEADMN CCCN1N=C(c2ccccc2)CC1=O ZINC000103468359 169211863 /nfs/dbraw/zinc/21/18/63/169211863.db2.gz JZHQJMJUHWKKAM-UHFFFAOYSA-N 0 1 202.257 2.033 20 0 BEADMN c1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)no1 ZINC000340517905 183353606 /nfs/dbraw/zinc/35/36/06/183353606.db2.gz OOTNHRJCWFSWNS-JHJVBQTASA-N 0 1 248.326 2.112 20 0 BEADMN CCCNC(=O)[C@H](C)N(C)Cc1cccc(C)c1 ZINC000340406291 169244968 /nfs/dbraw/zinc/24/49/68/169244968.db2.gz ASLUXIYLZHZEHC-ZDUSSCGKSA-N 0 1 248.370 2.342 20 0 BEADMN c1nc(CN2CCC[C@@H](c3ccncc3)C2)c[nH]1 ZINC000336264606 183359982 /nfs/dbraw/zinc/35/99/82/183359982.db2.gz ICXAQTUKYXHGGY-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN CCCN[C@H](C)c1c(F)cncc1F ZINC000285582664 169286852 /nfs/dbraw/zinc/28/68/52/169286852.db2.gz IGWPPDXBGWOLFD-SSDOTTSWSA-N 0 1 200.232 2.420 20 0 BEADMN c1ccc(CCN2CCOCC23CCCC3)nc1 ZINC000270571099 183393738 /nfs/dbraw/zinc/39/37/38/183393738.db2.gz ATDXCUKNNIDNAS-UHFFFAOYSA-N 0 1 246.354 2.269 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000371309405 169299079 /nfs/dbraw/zinc/29/90/79/169299079.db2.gz XOYFLSHXWHXSEY-PWSUYJOCSA-N 0 1 225.332 2.060 20 0 BEADMN CCCOc1ncccc1CNCc1cc[nH]c1 ZINC000086251857 169329214 /nfs/dbraw/zinc/32/92/14/169329214.db2.gz KXCYTXFAMNYFCE-UHFFFAOYSA-N 0 1 245.326 2.488 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000019472188 169368214 /nfs/dbraw/zinc/36/82/14/169368214.db2.gz UZXBVHGKIYGAJQ-RISCZKNCSA-N 0 1 246.354 2.006 20 0 BEADMN CCC[C@@H](C)CN[C@H](C)c1nc(C)no1 ZINC000336757825 169361181 /nfs/dbraw/zinc/36/11/81/169361181.db2.gz JNCCATOTFPRVNI-RKDXNWHRSA-N 0 1 211.309 2.465 20 0 BEADMN CCC[C@@H](CC)NC(=O)NCc1cn[nH]c1C ZINC000263834983 169377133 /nfs/dbraw/zinc/37/71/33/169377133.db2.gz FHGQRVBBCDQLJN-LLVKDONJSA-N 0 1 238.335 2.096 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1[nH]nc(C)c1C ZINC000265275405 169377975 /nfs/dbraw/zinc/37/79/75/169377975.db2.gz WXEZNPIPCHVLOB-SNVBAGLBSA-N 0 1 223.320 2.335 20 0 BEADMN CCC[C@@H](CC)NC(=O)c1coc(CN)c1 ZINC000187555424 169378389 /nfs/dbraw/zinc/37/83/89/169378389.db2.gz ZBWDUMMRWSUAGR-SNVBAGLBSA-N 0 1 224.304 2.047 20 0 BEADMN CCN(CCCO)Cc1ccc(Cl)o1 ZINC000353668041 169833998 /nfs/dbraw/zinc/83/39/98/169833998.db2.gz FCDOGGFUYFIATK-UHFFFAOYSA-N 0 1 217.696 2.137 20 0 BEADMN C[C@@H](CO)CCCNCc1ncc(Cl)s1 ZINC000225376595 134354836 /nfs/dbraw/zinc/35/48/36/134354836.db2.gz JDKMUPMGXVATKQ-MRVPVSSYSA-N 0 1 248.779 2.295 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000227580771 259633024 /nfs/dbraw/zinc/63/30/24/259633024.db2.gz JKWUIBGCSCDXHC-DGCLKSJQSA-N 0 1 233.311 2.290 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2CO)sc1C ZINC000087396287 383837645 /nfs/dbraw/zinc/83/76/45/383837645.db2.gz FRXLNJMCYPJALE-NSHDSACASA-N 0 1 240.372 2.107 20 0 BEADMN C(Cc1nc([C@H]2CCCN2)no1)CC1CC1 ZINC000647145212 383842965 /nfs/dbraw/zinc/84/29/65/383842965.db2.gz PXAHTXDOZQUSOU-SNVBAGLBSA-N 0 1 221.304 2.227 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2C3CCC2CC3)n1 ZINC000560017698 383845860 /nfs/dbraw/zinc/84/58/60/383845860.db2.gz FUCUTYOHVCBFAQ-WHXUTIOJSA-N 0 1 233.315 2.178 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2C3CCC2CC3)n1 ZINC000560017698 383845863 /nfs/dbraw/zinc/84/58/63/383845863.db2.gz FUCUTYOHVCBFAQ-WHXUTIOJSA-N 0 1 233.315 2.178 20 0 BEADMN FC1(c2nc([C@@H]3CCCN3)no2)CCCC1 ZINC000647146183 383853965 /nfs/dbraw/zinc/85/39/65/383853965.db2.gz OOGZZGFVHJIMDV-QMMMGPOBSA-N 0 1 225.267 2.233 20 0 BEADMN C[C@@]1(c2nc([C@@H]3CCCN3)no2)CC=CCC1 ZINC000647144110 383831952 /nfs/dbraw/zinc/83/19/52/383831952.db2.gz MPBSTMFKTUNJDW-GXFFZTMASA-N 0 1 233.315 2.492 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)C1CCC1 ZINC000647143957 383832118 /nfs/dbraw/zinc/83/21/18/383832118.db2.gz HKEAHQXBYNXJQW-PSASIEDQSA-N 0 1 221.304 2.398 20 0 BEADMN Cc1nc(CN[C@H](C)[C@@H]2CCCO2)sc1C ZINC000087375563 383832568 /nfs/dbraw/zinc/83/25/68/383832568.db2.gz WLPGMGGWKXEQPT-KOLCDFICSA-N 0 1 240.372 2.417 20 0 BEADMN C[C@@H](N[C@H]1COCC1(C)C)c1nccs1 ZINC000313122924 383908818 /nfs/dbraw/zinc/90/88/18/383908818.db2.gz LRTXIKJNHXFJTR-BDAKNGLRSA-N 0 1 226.345 2.219 20 0 BEADMN CCOc1cccc(CNCc2cncn2C)c1 ZINC000112341237 383918523 /nfs/dbraw/zinc/91/85/23/383918523.db2.gz FDWNEXRZRCUHFU-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CC[C@@H](N[C@@H](C)c1csnn1)C1CC1 ZINC000398316047 383918852 /nfs/dbraw/zinc/91/88/52/383918852.db2.gz FDSWSOYLTFHULO-IONNQARKSA-N 0 1 211.334 2.377 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978031 383922458 /nfs/dbraw/zinc/92/24/58/383922458.db2.gz RQVDCIULUHXPCB-GXTWGEPZSA-N 0 1 245.322 2.265 20 0 BEADMN Cc1cc(C)cc(CNCc2ccnn2C)c1 ZINC000067448853 383922578 /nfs/dbraw/zinc/92/25/78/383922578.db2.gz JHMFPPYIPJSLOG-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN C1=CC[C@H](c2nc([C@H]3CCCN3)no2)CC1 ZINC000647148170 383893774 /nfs/dbraw/zinc/89/37/74/383893774.db2.gz ILELJGBSMCSCOL-VHSXEESVSA-N 0 1 219.288 2.318 20 0 BEADMN C1=C[C@H](Cc2nc([C@H]3CCCN3)no2)CC1 ZINC000647148554 383895017 /nfs/dbraw/zinc/89/50/17/383895017.db2.gz PWJSSPPMXYYHIT-VHSXEESVSA-N 0 1 219.288 2.003 20 0 BEADMN C[C@H](c1ccco1)c1nc([C@H]2CCCN2)no1 ZINC000647148625 383896963 /nfs/dbraw/zinc/89/69/63/383896963.db2.gz SFQAJODTFAYJMN-RKDXNWHRSA-N 0 1 233.271 2.239 20 0 BEADMN Cc1cnc(CCNCc2ccon2)c(C)c1 ZINC000401084543 383902858 /nfs/dbraw/zinc/90/28/58/383902858.db2.gz QOMJFCBXSOWHGN-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN Cc1nnc([C@@H](C)NCC[C@@H](C)F)s1 ZINC000308663057 383905392 /nfs/dbraw/zinc/90/53/92/383905392.db2.gz RBXUQMXKEANAKW-RNFRBKRXSA-N 0 1 217.313 2.245 20 0 BEADMN C[C@@H]1C[C@@H](Nc2cc3c(cn2)CCC3)CO1 ZINC000647213424 383978301 /nfs/dbraw/zinc/97/83/01/383978301.db2.gz BLUVYTQOQWQSFY-BXKDBHETSA-N 0 1 218.300 2.160 20 0 BEADMN C[C@H]1C[C@H](Nc2cc3c(cn2)CCC3)CO1 ZINC000647213425 383979282 /nfs/dbraw/zinc/97/92/82/383979282.db2.gz BLUVYTQOQWQSFY-CABZTGNLSA-N 0 1 218.300 2.160 20 0 BEADMN C[C@H](CNCc1ncc[nH]1)N(C)c1ccccc1 ZINC000067671919 383936556 /nfs/dbraw/zinc/93/65/56/383936556.db2.gz BFXLUIHPJMLNKT-GFCCVEGCSA-N 0 1 244.342 2.024 20 0 BEADMN C(=C1CCCC1)c1nc([C@H]2CCCN2)no1 ZINC000647152078 383936688 /nfs/dbraw/zinc/93/66/88/383936688.db2.gz WZRHXFUAEZNZRL-SNVBAGLBSA-N 0 1 219.288 2.452 20 0 BEADMN Oc1cc(F)cc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000348214455 383940644 /nfs/dbraw/zinc/94/06/44/383940644.db2.gz COKIJEITILRZPK-UWVGGRQHSA-N 0 1 231.217 2.275 20 0 BEADMN C[C@@H]1C[C@H](NC[C@]2(C)CCCO2)c2nccn21 ZINC000345346055 383944394 /nfs/dbraw/zinc/94/43/94/383944394.db2.gz CEDOULBBYOCDAM-MDZLAQPJSA-N 0 1 235.331 2.048 20 0 BEADMN CC1(C)CCCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000112702501 383945543 /nfs/dbraw/zinc/94/55/43/383945543.db2.gz NEUKVWPIGAROSM-ZDUSSCGKSA-N 0 1 246.354 2.335 20 0 BEADMN CC(C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114107206 384023799 /nfs/dbraw/zinc/02/37/99/384023799.db2.gz RBWLQFZKHWJKLT-UHFFFAOYSA-N 0 1 230.271 2.066 20 0 BEADMN C[C@H]1c2ccccc2CN1C(=O)Cc1ccn[nH]1 ZINC000335127039 384033116 /nfs/dbraw/zinc/03/31/16/384033116.db2.gz MXYWEUXCFKEMDF-JTQLQIEISA-N 0 1 241.294 2.056 20 0 BEADMN Cc1c(CN[C@H](C)c2cncc(F)c2)cnn1C ZINC000090887701 384083126 /nfs/dbraw/zinc/08/31/26/384083126.db2.gz ZBGWNDSIOBJTKH-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN CC(C)(C)CNC(=O)c1n[nH]c2ccccc21 ZINC000070287309 384097349 /nfs/dbraw/zinc/09/73/49/384097349.db2.gz YFKXYRQPJDOTAB-UHFFFAOYSA-N 0 1 231.299 2.339 20 0 BEADMN C[C@H](Nc1ncnc2[nH]cnc21)C1CCCC1 ZINC000070307267 384098877 /nfs/dbraw/zinc/09/88/77/384098877.db2.gz DCOOKWZJBFQLJN-QMMMGPOBSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1cnccn1 ZINC000070479518 384113106 /nfs/dbraw/zinc/11/31/06/384113106.db2.gz LHMAFRUSMVCEFH-LBPRGKRZSA-N 0 1 243.310 2.206 20 0 BEADMN FCC(CF)N[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449380702 384092704 /nfs/dbraw/zinc/09/27/04/384092704.db2.gz OKTDGLXAWXVLGL-QJPTWQEYSA-N 0 1 247.329 2.479 20 0 BEADMN CC(C)CN(Cc1cnn(C)c1)CC1(F)CC1 ZINC000560362140 384093054 /nfs/dbraw/zinc/09/30/54/384093054.db2.gz FYWSEBRBBAJIQX-UHFFFAOYSA-N 0 1 239.338 2.380 20 0 BEADMN Cc1cc(-c2nc(C3(N)CCCC3)no2)ccn1 ZINC000235977102 384093126 /nfs/dbraw/zinc/09/31/26/384093126.db2.gz KHNNEDKMHHGWTK-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN Cc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000336555641 384133489 /nfs/dbraw/zinc/13/34/89/384133489.db2.gz XZDJPIVJFDBHRQ-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)[O-] ZINC000116325863 384129472 /nfs/dbraw/zinc/12/94/72/384129472.db2.gz KZDSSDJHTNOXRR-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH]n1 ZINC000530492705 384150347 /nfs/dbraw/zinc/15/03/47/384150347.db2.gz KGYOYTMDABFKQY-KWCYVHTRSA-N 0 1 249.358 2.095 20 0 BEADMN Cc1ccsc1CN(C)Cc1cnn(C)c1 ZINC000071115562 384151389 /nfs/dbraw/zinc/15/13/89/384151389.db2.gz VFUKBABAYVPQEL-UHFFFAOYSA-N 0 1 235.356 2.422 20 0 BEADMN CC[C@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000091919636 384153130 /nfs/dbraw/zinc/15/31/30/384153130.db2.gz HRQIDDBUCFSSGF-NSHDSACASA-N 0 1 207.321 2.340 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccc(C)cc1C ZINC000091950395 384156284 /nfs/dbraw/zinc/15/62/84/384156284.db2.gz MXIHOVNYHJQUTM-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1ccc(F)cc1F ZINC000070965929 384144067 /nfs/dbraw/zinc/14/40/67/384144067.db2.gz WEQFGKUAYPIQHX-WPRPVWTQSA-N 0 1 227.254 2.404 20 0 BEADMN Cc1sccc1CNCc1ccnn1C ZINC000293990680 384173369 /nfs/dbraw/zinc/17/33/69/384173369.db2.gz FKNYYVHKPIPECF-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1noc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000042651722 384159700 /nfs/dbraw/zinc/15/97/00/384159700.db2.gz XIFXDCZVNHIDID-KXUCPTDWSA-N 0 1 223.320 2.417 20 0 BEADMN Cc1n[nH]cc1C[N@H+](CC(C)C)C1CC1 ZINC000092009256 384160317 /nfs/dbraw/zinc/16/03/17/384160317.db2.gz WCLCEBLRNRDGAC-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN CCOCCN[C@H](CC)c1nccs1 ZINC000080279780 384162019 /nfs/dbraw/zinc/16/20/19/384162019.db2.gz BILSGOWGOSRALW-SECBINFHSA-N 0 1 214.334 2.220 20 0 BEADMN CS[C@@H]1CCCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000092064310 384162738 /nfs/dbraw/zinc/16/27/38/384162738.db2.gz FFNHUKIULVIPGG-GFCCVEGCSA-N 0 1 239.388 2.436 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000092162177 384164501 /nfs/dbraw/zinc/16/45/01/384164501.db2.gz IOSDUIOZYZAMHB-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN CSCc1cnc(CNC2CC2)s1 ZINC000293976066 384165807 /nfs/dbraw/zinc/16/58/07/384165807.db2.gz DJASQEWCMGYWJY-UHFFFAOYSA-N 0 1 214.359 2.258 20 0 BEADMN COC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285725285 384207197 /nfs/dbraw/zinc/20/71/97/384207197.db2.gz PPUKIKLDGWPDKB-WCQYABFASA-N 0 1 233.311 2.243 20 0 BEADMN Cc1nc(C[N@H+]2CCC[C@](C)(O)C2)c(C)s1 ZINC000336588175 384189360 /nfs/dbraw/zinc/18/93/60/384189360.db2.gz LFPGWOKYRRWBMC-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1nc(CN2CCC[C@](C)(O)C2)c(C)s1 ZINC000336588175 384189364 /nfs/dbraw/zinc/18/93/64/384189364.db2.gz LFPGWOKYRRWBMC-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1ccc(CN(C)Cc2cnc[nH]2)s1 ZINC000093049333 384207824 /nfs/dbraw/zinc/20/78/24/384207824.db2.gz VDPJLJXDFAPAJY-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ncccc1[O-] ZINC000520893541 384199117 /nfs/dbraw/zinc/19/91/17/384199117.db2.gz XIFYYUUKOQVLMT-CMPLNLGQSA-N 0 1 220.316 2.408 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncccc1[O-] ZINC000520893541 384199120 /nfs/dbraw/zinc/19/91/20/384199120.db2.gz XIFYYUUKOQVLMT-CMPLNLGQSA-N 0 1 220.316 2.408 20 0 BEADMN CCC[C@@H]1CN(CCc2ccncc2)CCO1 ZINC000132429001 384231825 /nfs/dbraw/zinc/23/18/25/384231825.db2.gz AAVBUCULBDGBNQ-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@H]1C1CC1 ZINC000363384301 384233823 /nfs/dbraw/zinc/23/38/23/384233823.db2.gz IVCODVQYGVGWGM-LBPRGKRZSA-N 0 1 232.327 2.082 20 0 BEADMN COC(=O)c1cc(C[N@H+]2CCC3(CCC3)C2)c[nH]1 ZINC000093455953 384238573 /nfs/dbraw/zinc/23/85/73/384238573.db2.gz LEKXTCKQPRRZSE-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN c1ncc(C[N@H+]2CCCc3ccccc3C2)[nH]1 ZINC000093085112 384209457 /nfs/dbraw/zinc/20/94/57/384209457.db2.gz KQRSSIIJBSVWHE-UHFFFAOYSA-N 0 1 227.311 2.358 20 0 BEADMN c1nc(C[N@@H+]2CCCc3ccccc3C2)c[nH]1 ZINC000093085112 384209465 /nfs/dbraw/zinc/20/94/65/384209465.db2.gz KQRSSIIJBSVWHE-UHFFFAOYSA-N 0 1 227.311 2.358 20 0 BEADMN c1nc(CN2CCCc3ccccc3C2)c[nH]1 ZINC000093085112 384209478 /nfs/dbraw/zinc/20/94/78/384209478.db2.gz KQRSSIIJBSVWHE-UHFFFAOYSA-N 0 1 227.311 2.358 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@@H]1CCCC(C)(C)C1 ZINC000560555168 384221186 /nfs/dbraw/zinc/22/11/86/384221186.db2.gz QGLCTRVVUMCSKI-LLVKDONJSA-N 0 1 236.363 2.453 20 0 BEADMN CC[C@H](C[N@H+]1CCC[C@@H](OC(F)F)C1)OC ZINC000642700663 384227645 /nfs/dbraw/zinc/22/76/45/384227645.db2.gz DNKLEICGERQGRG-NXEZZACHSA-N 0 1 237.290 2.115 20 0 BEADMN CC[C@H](C[N@H+]1CCC[C@H](OC(F)F)C1)OC ZINC000642700666 384227683 /nfs/dbraw/zinc/22/76/83/384227683.db2.gz DNKLEICGERQGRG-ZJUUUORDSA-N 0 1 237.290 2.115 20 0 BEADMN COC(=O)CCCN1CCc2ccsc2C1 ZINC000132681496 384243557 /nfs/dbraw/zinc/24/35/57/384243557.db2.gz YBJVLZXGSTZCAC-UHFFFAOYSA-N 0 1 239.340 2.059 20 0 BEADMN COC[C@@H]1CN(Cc2ccc(C)cc2C)CCO1 ZINC000093528844 384248101 /nfs/dbraw/zinc/24/81/01/384248101.db2.gz WDYSBDQCEWHPLK-HNNXBMFYSA-N 0 1 249.354 2.151 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000082718115 384259717 /nfs/dbraw/zinc/25/97/17/384259717.db2.gz QJGBMJXDYVRNGV-MNOVXSKESA-N 0 1 221.300 2.195 20 0 BEADMN CO[C@H]1CN(Cc2cnc(C)s2)CC[C@H]1C ZINC000251895883 384260278 /nfs/dbraw/zinc/26/02/78/384260278.db2.gz QQEVFUHILNOSHR-SKDRFNHKSA-N 0 1 240.372 2.308 20 0 BEADMN c1nc(CN2CCS[C@H]3CCCC[C@@H]32)c[nH]1 ZINC000093690100 384260558 /nfs/dbraw/zinc/26/05/58/384260558.db2.gz DQRXUHPVISTNMG-RYUDHWBXSA-N 0 1 237.372 2.270 20 0 BEADMN CCCCN(C)[C@H](CC)C(=O)OCC ZINC000082760962 384264055 /nfs/dbraw/zinc/26/40/55/384264055.db2.gz LEPCYZJBOTZEMU-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1c[nH]cn1 ZINC000093870956 384276305 /nfs/dbraw/zinc/27/63/05/384276305.db2.gz BNLXOFJCZSQJJE-SNVBAGLBSA-N 0 1 227.377 2.373 20 0 BEADMN COC[C@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132622550 384241470 /nfs/dbraw/zinc/24/14/70/384241470.db2.gz VVFLYDJBGRTQAH-VIFPVBQESA-N 0 1 211.330 2.141 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)[nH]n1 ZINC000133812954 384314661 /nfs/dbraw/zinc/31/46/61/384314661.db2.gz MRSMGRWYDADUOA-CDMKHQONSA-N 0 1 249.358 2.202 20 0 BEADMN CCC(C)(C)N(C)CC(=O)Nc1cc(C)no1 ZINC000074320333 384280971 /nfs/dbraw/zinc/28/09/71/384280971.db2.gz VTVBIDJSJXBMTC-UHFFFAOYSA-N 0 1 239.319 2.042 20 0 BEADMN CCOC[C@H](C)N[C@@H](C)c1nccs1 ZINC000083143205 384283273 /nfs/dbraw/zinc/28/32/73/384283273.db2.gz GFZLFPWTNFRUQX-IUCAKERBSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1CCCO1 ZINC000083142570 384283546 /nfs/dbraw/zinc/28/35/46/384283546.db2.gz FCRCIWRMSWHFRI-UTLUCORTSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1nccc(N[C@H]2CO[C@@H](C)C2)c1Cl ZINC000335442786 384285730 /nfs/dbraw/zinc/28/57/30/384285730.db2.gz XXCHJSLPJAODGF-IONNQARKSA-N 0 1 226.707 2.055 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@H]1CCc2ccccc2C1 ZINC000516787187 384287268 /nfs/dbraw/zinc/28/72/68/384287268.db2.gz PPEJOWVAPBAKFW-LBPRGKRZSA-N 0 1 247.338 2.198 20 0 BEADMN C[C@@H](N[C@H](C)C(C)(F)F)C1CCOCC1 ZINC000449411177 384292117 /nfs/dbraw/zinc/29/21/17/384292117.db2.gz AGZJAYYHQQADTJ-RKDXNWHRSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@@H](N[C@@H](C)[C@@H]1CCCOC1)C(C)(F)F ZINC000449417786 384303624 /nfs/dbraw/zinc/30/36/24/384303624.db2.gz ZOQRYFMLWWDZLW-IVZWLZJFSA-N 0 1 221.291 2.435 20 0 BEADMN CC(C)n1ccc(CN(C)C2CCC2)n1 ZINC000075841274 384342437 /nfs/dbraw/zinc/34/24/37/384342437.db2.gz OZDCJJXKEJBYSH-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN Cc1cc(CNC(=O)C[C@H](C)c2ccco2)n[nH]1 ZINC000625605553 384346894 /nfs/dbraw/zinc/34/68/94/384346894.db2.gz IGOAOMCVRHKFNG-VIFPVBQESA-N 0 1 247.298 2.121 20 0 BEADMN CCC[C@@H](NCc1ncn(C)n1)C1CCCC1 ZINC000313423490 384359776 /nfs/dbraw/zinc/35/97/76/384359776.db2.gz GQCLFONOTXTVAK-GFCCVEGCSA-N 0 1 236.363 2.264 20 0 BEADMN CCC[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000134560068 384366250 /nfs/dbraw/zinc/36/62/50/384366250.db2.gz VFDFWFUWIODUKF-LLVKDONJSA-N 0 1 235.331 2.370 20 0 BEADMN CN(C)CC(=O)NCCCCC1CCCC1 ZINC000174855582 384372480 /nfs/dbraw/zinc/37/24/80/384372480.db2.gz DYJGUQXNRODDHO-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN Cn1cc(CN[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000133989790 384325243 /nfs/dbraw/zinc/32/52/43/384325243.db2.gz YFPPTGDJSJZTLU-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN Cc1csc(CN2CCC[C@H]2C[C@@H](C)O)n1 ZINC000159350281 384326520 /nfs/dbraw/zinc/32/65/20/384326520.db2.gz JJPJOQLDJOZOQM-MNOVXSKESA-N 0 1 240.372 2.187 20 0 BEADMN Cc1cnc(CNc2ccnc(C)c2Cl)o1 ZINC000335557886 384327055 /nfs/dbraw/zinc/32/70/55/384327055.db2.gz JZXIRMPTYRZWMW-UHFFFAOYSA-N 0 1 237.690 2.374 20 0 BEADMN CCCCC[C@@H]1CCCN1Cc1nncn1C ZINC000536347422 384330517 /nfs/dbraw/zinc/33/05/17/384330517.db2.gz CRVLOXYUTCAVNW-GFCCVEGCSA-N 0 1 236.363 2.360 20 0 BEADMN CC(C)CCNC(=O)[C@H]1NCCc2ccccc21 ZINC000044426663 384333142 /nfs/dbraw/zinc/33/31/42/384333142.db2.gz QKQWMUAAQYJEMW-AWEZNQCLSA-N 0 1 246.354 2.036 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000075768445 384334893 /nfs/dbraw/zinc/33/48/93/384334893.db2.gz ZXCNZXKOSVVTIK-AOOOYVTPSA-N 0 1 206.289 2.071 20 0 BEADMN Cc1cnc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000075768445 384334902 /nfs/dbraw/zinc/33/49/02/384334902.db2.gz ZXCNZXKOSVVTIK-AOOOYVTPSA-N 0 1 206.289 2.071 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000084656665 384406514 /nfs/dbraw/zinc/40/65/14/384406514.db2.gz UETIOXMOMFYZKI-LBPRGKRZSA-N 0 1 219.284 2.080 20 0 BEADMN CSC[C@@H]1CCCN1Cc1nccs1 ZINC000135163298 384419077 /nfs/dbraw/zinc/41/90/77/384419077.db2.gz TZGGIKZAHCRMBD-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN CCc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)o1 ZINC000134649377 384376521 /nfs/dbraw/zinc/37/65/21/384376521.db2.gz HMKSJXNUBGGHIQ-SDDRHHMPSA-N 0 1 235.327 2.430 20 0 BEADMN c1cc(CN2CC(C3CC3)C2)c2c(c1)OCCO2 ZINC000643345228 384378033 /nfs/dbraw/zinc/37/80/33/384378033.db2.gz JWWBPKMIRQRMBE-UHFFFAOYSA-N 0 1 245.322 2.300 20 0 BEADMN C[S@@](=O)c1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449428087 384379611 /nfs/dbraw/zinc/37/96/11/384379611.db2.gz QJDIRNAIIQJNBG-WMLDXEAASA-N 0 1 249.379 2.408 20 0 BEADMN C[S@@](=O)c1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449428084 384380350 /nfs/dbraw/zinc/38/03/50/384380350.db2.gz QJDIRNAIIQJNBG-RHSMWYFYSA-N 0 1 249.379 2.408 20 0 BEADMN CC(C)C[C@@H]1CCCCN1Cc1nccc(N)n1 ZINC000135211327 384425496 /nfs/dbraw/zinc/42/54/96/384425496.db2.gz YRXJKKVIDPGTMM-LBPRGKRZSA-N 0 1 248.374 2.459 20 0 BEADMN C[C@H]1CC[C@H](NCc2nn(C)cc2Cl)C1 ZINC000335617943 384390836 /nfs/dbraw/zinc/39/08/36/384390836.db2.gz NKVUGCROZYHVSL-IUCAKERBSA-N 0 1 227.739 2.352 20 0 BEADMN CC1CCC(C[N@H+]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000084340150 384390966 /nfs/dbraw/zinc/39/09/66/384390966.db2.gz WNZGXPRSYHBEBV-MCIGGMRASA-N 0 1 225.332 2.219 20 0 BEADMN CN(CCOC(C)(C)C)Cc1cccnc1 ZINC000135489605 384447399 /nfs/dbraw/zinc/44/73/99/384447399.db2.gz AZTPYKLJJKQGJY-UHFFFAOYSA-N 0 1 222.332 2.329 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1nccs1 ZINC000101633642 384448172 /nfs/dbraw/zinc/44/81/72/384448172.db2.gz BUZJDGNTWJABAY-OPRDCNLKSA-N 0 1 226.345 2.097 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@](C)(N)c2ccccc2)C1 ZINC000159606364 384452671 /nfs/dbraw/zinc/45/26/71/384452671.db2.gz GYMLOCFROUBQTC-SWLSCSKDSA-N 0 1 246.354 2.119 20 0 BEADMN COC[C@H](NCc1nc(C)c(C)s1)C1CC1 ZINC000122155443 384461073 /nfs/dbraw/zinc/46/10/73/384461073.db2.gz WQFOZHXLBNLIPE-NSHDSACASA-N 0 1 240.372 2.275 20 0 BEADMN CCOc1ccccc1NC(=O)c1cn[nH]c1C ZINC000070212144 384472811 /nfs/dbraw/zinc/47/28/11/384472811.db2.gz PMIQLSFYHZEAOG-UHFFFAOYSA-N 0 1 245.282 2.369 20 0 BEADMN CC[C@H](O)CNCc1c(F)cccc1Cl ZINC000229965723 384479769 /nfs/dbraw/zinc/47/97/69/384479769.db2.gz DVRSNTRLGSAXNG-QMMMGPOBSA-N 0 1 231.698 2.340 20 0 BEADMN CC(=O)CCCSc1nc(C2CC2)n[nH]1 ZINC000097101270 384496432 /nfs/dbraw/zinc/49/64/32/384496432.db2.gz AORRGPUNIVCVTE-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN CC(=O)CCCSc1n[nH]c(C2CC2)n1 ZINC000097101270 384496435 /nfs/dbraw/zinc/49/64/35/384496435.db2.gz AORRGPUNIVCVTE-UHFFFAOYSA-N 0 1 225.317 2.143 20 0 BEADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000018208582 384502535 /nfs/dbraw/zinc/50/25/35/384502535.db2.gz GOWKCWPJRXLPSL-QMMMGPOBSA-N 0 1 229.283 2.091 20 0 BEADMN CC(C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150835032 384510806 /nfs/dbraw/zinc/51/08/06/384510806.db2.gz SJKXNQVNQIOHIP-LLVKDONJSA-N 0 1 230.315 2.326 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1nc2ccccc2o1 ZINC000335694843 384487159 /nfs/dbraw/zinc/48/71/59/384487159.db2.gz MAWCAESRIDIYHU-WDEREUQCSA-N 0 1 246.310 2.031 20 0 BEADMN COC[C@@H](NCc1csc(C)n1)C(C)C ZINC000083398429 384490089 /nfs/dbraw/zinc/49/00/89/384490089.db2.gz KIRVYJUHAQKJQG-LLVKDONJSA-N 0 1 228.361 2.212 20 0 BEADMN CONC(=O)[C@@H](c1ccccc1)C(C)C ZINC000079453530 384494914 /nfs/dbraw/zinc/49/49/14/384494914.db2.gz PXLDBKUCLBAEKW-LLVKDONJSA-N 0 1 207.273 2.104 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323285881 384516296 /nfs/dbraw/zinc/51/62/96/384516296.db2.gz KDQSUVIOWVHBLS-GCZGVDRJSA-N 0 1 233.311 2.495 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC/C=C/c1ccccc1 ZINC000323285891 384518326 /nfs/dbraw/zinc/51/83/26/384518326.db2.gz KDQSUVIOWVHBLS-JXPAYYINSA-N 0 1 233.311 2.495 20 0 BEADMN COC(CN(C)[C@@H](C)c1cccs1)OC ZINC000085351299 384518597 /nfs/dbraw/zinc/51/85/97/384518597.db2.gz KPLRMGMFQZRQBL-VIFPVBQESA-N 0 1 229.345 2.360 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC/C=C\c1ccccc1 ZINC000323285886 384518662 /nfs/dbraw/zinc/51/86/62/384518662.db2.gz KDQSUVIOWVHBLS-GYGFLDJKSA-N 0 1 233.311 2.495 20 0 BEADMN Clc1cnc(CNCC2CC2)s1 ZINC000085352118 384519285 /nfs/dbraw/zinc/51/92/85/384519285.db2.gz JOTZIZJWGFYXFI-UHFFFAOYSA-N 0 1 202.710 2.296 20 0 BEADMN CC(C)(C)OC(=O)CN1CCC[C@@H]1C1CC1 ZINC000363387112 384527580 /nfs/dbraw/zinc/52/75/80/384527580.db2.gz ZGYYWFFWOWSXDL-LLVKDONJSA-N 0 1 225.332 2.203 20 0 BEADMN CC(C)(C)CCCn1cc(CNC2CC2)nn1 ZINC000305970884 384559467 /nfs/dbraw/zinc/55/94/67/384559467.db2.gz YSTCCJXXQOXVDF-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN Fc1ccccc1CNCc1cc[nH]c1 ZINC000085578750 384538663 /nfs/dbraw/zinc/53/86/63/384538663.db2.gz YLTRIOMUXXIVJX-UHFFFAOYSA-N 0 1 204.248 2.444 20 0 BEADMN CN(Cc1ccn(C)c1)Cc1ccco1 ZINC000162152865 384578304 /nfs/dbraw/zinc/57/83/04/384578304.db2.gz XUYOEQQLXHCSGC-UHFFFAOYSA-N 0 1 204.273 2.250 20 0 BEADMN COC[C@@H](C)NCc1coc(-c2ccccc2)n1 ZINC000102681020 384579025 /nfs/dbraw/zinc/57/90/25/384579025.db2.gz HMZGRXBGSBQEGM-LLVKDONJSA-N 0 1 246.310 2.466 20 0 BEADMN COC(=O)[C@H]1CCCN1CCc1ccc(C)cc1 ZINC000172415061 384582341 /nfs/dbraw/zinc/58/23/41/384582341.db2.gz RRIARBJZGKPTBS-CQSZACIVSA-N 0 1 247.338 2.175 20 0 BEADMN C[C@@H](Cn1cccn1)NC/C(Cl)=C/Cl ZINC000085978145 384582585 /nfs/dbraw/zinc/58/25/85/384582585.db2.gz HEDIYIBZZCYNBA-HXOPTJOXSA-N 0 1 234.130 2.180 20 0 BEADMN CC[C@H](c1ccccc1)N1CCO[C@H](COC)C1 ZINC000172878208 384632515 /nfs/dbraw/zinc/63/25/15/384632515.db2.gz MONHEQJTMOTJTF-LSDHHAIUSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)NCCN1CCC1 ZINC000533566801 384603032 /nfs/dbraw/zinc/60/30/32/384603032.db2.gz WUCXPSDGCLVUAV-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1c(CN[C@H](C)c2cncc(C)c2)cnn1C ZINC000184422907 384605417 /nfs/dbraw/zinc/60/54/17/384605417.db2.gz JSJQDMMAQBOQRX-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CCC[C@@H](O)CN(C)Cc1ccccc1F ZINC000050193482 384605733 /nfs/dbraw/zinc/60/57/33/384605733.db2.gz OYDIHGPVTCOHKF-GFCCVEGCSA-N 0 1 225.307 2.419 20 0 BEADMN C[C@H](NCc1cc[nH]c1)c1ccncc1F ZINC000309791680 384611921 /nfs/dbraw/zinc/61/19/21/384611921.db2.gz PJEXBOQNIZNPBD-VIFPVBQESA-N 0 1 219.263 2.400 20 0 BEADMN O=C(c1ccc(F)cc1O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000124097428 384614872 /nfs/dbraw/zinc/61/48/72/384614872.db2.gz CALFRXLEQBRWHI-AOOOYVTPSA-N 0 1 249.285 2.403 20 0 BEADMN Cl/C=C/CN1CCOCC2(CCC2)C1 ZINC000363906284 384616311 /nfs/dbraw/zinc/61/63/11/384616311.db2.gz OMKJCWXFGJAAQW-GORDUTHDSA-N 0 1 215.724 2.241 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCCC[C@@H]2C)n1 ZINC000162454190 384622455 /nfs/dbraw/zinc/62/24/55/384622455.db2.gz KQGCRBSBJUUPEX-JQWIXIFHSA-N 0 1 249.358 2.413 20 0 BEADMN C[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)C1CC1 ZINC000184613979 384625687 /nfs/dbraw/zinc/62/56/87/384625687.db2.gz WTTMZJYNSFMQGD-SSDOTTSWSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)C1CC1 ZINC000184613979 384625694 /nfs/dbraw/zinc/62/56/94/384625694.db2.gz WTTMZJYNSFMQGD-SSDOTTSWSA-N 0 1 234.303 2.057 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@H]2CCCO2)s1 ZINC000172774435 384626271 /nfs/dbraw/zinc/62/62/71/384626271.db2.gz PUQSKZDTWZKLIW-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN CC[C@@H](C)CSCCCN1CCOCC1 ZINC000123859242 384591810 /nfs/dbraw/zinc/59/18/10/384591810.db2.gz BPTRLUPPGCQTQY-GFCCVEGCSA-N 0 1 231.405 2.488 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C\C1CCCCC1 ZINC000255459051 384594285 /nfs/dbraw/zinc/59/42/85/384594285.db2.gz JPDPEQPYZSZOED-FPLPWBNLSA-N 0 1 247.342 2.471 20 0 BEADMN C[C@H](CO)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000124674334 384666852 /nfs/dbraw/zinc/66/68/52/384666852.db2.gz LQQDEGZQWFOFRW-SECBINFHSA-N 0 1 245.269 2.101 20 0 BEADMN Cc1nc(CN2CCC[C@@H](O)CC2)sc1C ZINC000293142214 384669724 /nfs/dbraw/zinc/66/97/24/384669724.db2.gz NQOYKOCMNOYPOP-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN CC1=C(C(=O)N2CCN(C)C(C)(C)C2)CCC1 ZINC000516937124 384670060 /nfs/dbraw/zinc/67/00/60/384670060.db2.gz XELKTQCSKFUFHR-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN Cn1cccc1CNCc1cccc2c1OCO2 ZINC000050596140 384636217 /nfs/dbraw/zinc/63/62/17/384636217.db2.gz SMLWNMLJPKROSJ-UHFFFAOYSA-N 0 1 244.294 2.044 20 0 BEADMN CCC1(CO)CCN([C@H](C)c2cnccn2)CC1 ZINC000184702862 384639133 /nfs/dbraw/zinc/63/91/33/384639133.db2.gz PLMFBSMQKYAGKM-GFCCVEGCSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@@H](C(=O)Nc1cc(C)cc(F)c1)N(C)C ZINC000124451652 384641826 /nfs/dbraw/zinc/64/18/26/384641826.db2.gz QSAFFKIVWRSLIX-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN CCCn1ncnc1CN1CC2CCC1CC2 ZINC000368451818 384658238 /nfs/dbraw/zinc/65/82/38/384658238.db2.gz XZKFIEGOPPMYJC-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccco1 ZINC000336662508 384725751 /nfs/dbraw/zinc/72/57/51/384725751.db2.gz OLQREIPEYOIMOH-CBAPKCEASA-N 0 1 237.221 2.244 20 0 BEADMN CCc1ncc(CNC(=O)CC(C)=C(C)C)[nH]1 ZINC001645214976 1172642038 /nfs/dbraw/zinc/64/20/38/1172642038.db2.gz DJUDPHQZDCDLNU-UHFFFAOYSA-N 0 1 235.331 2.335 20 0 BEADMN Cc1noc(C)c1C[C@@H](C)NCc1ccon1 ZINC000643887992 384726529 /nfs/dbraw/zinc/72/65/29/384726529.db2.gz NFYPTABWYLLCCE-MRVPVSSYSA-N 0 1 235.287 2.000 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000162800589 384688145 /nfs/dbraw/zinc/68/81/45/384688145.db2.gz OXXDYLLPWHCQSN-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H](F)CN[C@@H](CO)c1ccc(F)cc1 ZINC000309936587 384726664 /nfs/dbraw/zinc/72/66/64/384726664.db2.gz AFQHGKNNSXBJJH-PWSUYJOCSA-N 0 1 229.270 2.197 20 0 BEADMN CO[C@@H]1CCCN(Cc2nc(C)cs2)CC1 ZINC000363682867 384690542 /nfs/dbraw/zinc/69/05/42/384690542.db2.gz BDAHZMDJGBHKHI-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCCC2(C)C)n1 ZINC000335918376 384694356 /nfs/dbraw/zinc/69/43/56/384694356.db2.gz URPZKSKEKHUBFF-LLVKDONJSA-N 0 1 219.332 2.453 20 0 BEADMN Cc1nc(CN[C@H](C)c2ccc(C)c(F)c2)n[nH]1 ZINC000358040600 384694713 /nfs/dbraw/zinc/69/47/13/384694713.db2.gz RYTIHSRYBROADI-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN CC[C@@H](C)[C@H](C)N(CC(=O)OC)C1CC1 ZINC000104966086 384726989 /nfs/dbraw/zinc/72/69/89/384726989.db2.gz CLPUWXUOWMFOGQ-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN CCCC[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330231 384701911 /nfs/dbraw/zinc/70/19/11/384701911.db2.gz FOXOSCLXRPATNU-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN Cc1cccc(CCN[C@H](C)c2ncnn2C)c1 ZINC000449276173 384703559 /nfs/dbraw/zinc/70/35/59/384703559.db2.gz BFEZMWIFCODYOZ-GFCCVEGCSA-N 0 1 244.342 2.017 20 0 BEADMN C/C(=C\c1ccccc1)CN(C)C(=O)CN(C)C ZINC000427534497 384705668 /nfs/dbraw/zinc/70/56/68/384705668.db2.gz AKKSPRUEAUFVJO-JLHYYAGUSA-N 0 1 246.354 2.110 20 0 BEADMN C[C@@H](CCO)NCc1csc(C(C)(C)C)n1 ZINC000125263680 384706513 /nfs/dbraw/zinc/70/65/13/384706513.db2.gz ANFRCKIACLFBAX-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN CCc1ccc(CN(C)CCn2cccn2)o1 ZINC000125279622 384707077 /nfs/dbraw/zinc/70/70/77/384707077.db2.gz KABUVEGJYRPMBA-UHFFFAOYSA-N 0 1 233.315 2.171 20 0 BEADMN CCCc1csc(CN[C@@H]2CCO[C@@H]2C)n1 ZINC000309903068 384711959 /nfs/dbraw/zinc/71/19/59/384711959.db2.gz ISDZPBVVEDYPQF-MWLCHTKSSA-N 0 1 240.372 2.363 20 0 BEADMN COC[C@@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000357009871 384716003 /nfs/dbraw/zinc/71/60/03/384716003.db2.gz SBRFWEATKIXKBC-VXGBXAGGSA-N 0 1 238.331 2.402 20 0 BEADMN CCc1noc(CC)c1CN[C@@H]1CO[C@@H](C)C1 ZINC000647191221 384717572 /nfs/dbraw/zinc/71/75/72/384717572.db2.gz HXSDSZBEMCOJPZ-UWVGGRQHSA-N 0 1 238.331 2.066 20 0 BEADMN Cc1ccc(OCCNCc2ncc[nH]2)c(C)c1 ZINC000083374226 384774758 /nfs/dbraw/zinc/77/47/58/384774758.db2.gz FVFJUUBAOQBJEF-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1CCC[C@@H]1C ZINC000185893446 384780736 /nfs/dbraw/zinc/78/07/36/384780736.db2.gz YHKUJLMWHFCAJT-GXSJLCMTSA-N 0 1 235.331 2.161 20 0 BEADMN CCCc1csc(CNCC[C@H](O)CC)n1 ZINC000309930198 384728630 /nfs/dbraw/zinc/72/86/30/384728630.db2.gz XQCKBECGZOOGPQ-LLVKDONJSA-N 0 1 242.388 2.346 20 0 BEADMN COc1ncc(CN(C)[C@H]2CCSC2)s1 ZINC000643885620 384730342 /nfs/dbraw/zinc/73/03/42/384730342.db2.gz OJPZQKDDGHYIJD-QMMMGPOBSA-N 0 1 244.385 2.089 20 0 BEADMN CC(C)CC(CC(C)C)NC(=O)CN(C)C ZINC000104901392 384738050 /nfs/dbraw/zinc/73/80/50/384738050.db2.gz XADVIQKVOHNNEI-UHFFFAOYSA-N 0 1 228.380 2.125 20 0 BEADMN C[C@H](O)C[C@@H]1CCCCN1Cc1nccs1 ZINC000163099157 384740053 /nfs/dbraw/zinc/74/00/53/384740053.db2.gz LLIAOJVHBQCEST-QWRGUYRKSA-N 0 1 240.372 2.269 20 0 BEADMN C(CSc1nc(C2CC2)n[nH]1)OCC1CC1 ZINC000173984835 384741718 /nfs/dbraw/zinc/74/17/18/384741718.db2.gz NMVSTRKMYKALLW-UHFFFAOYSA-N 0 1 239.344 2.201 20 0 BEADMN C(CSc1n[nH]c(C2CC2)n1)OCC1CC1 ZINC000173984835 384741723 /nfs/dbraw/zinc/74/17/23/384741723.db2.gz NMVSTRKMYKALLW-UHFFFAOYSA-N 0 1 239.344 2.201 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nc(C)c(C)[nH]2)C12CCC2 ZINC000568273068 384742549 /nfs/dbraw/zinc/74/25/49/384742549.db2.gz IYEUYTCFHMRDOF-NWDGAFQWSA-N 0 1 249.358 2.074 20 0 BEADMN CC(C)N(C)C(=O)c1[nH]nc2ccccc21 ZINC000083119392 384743995 /nfs/dbraw/zinc/74/39/95/384743995.db2.gz NQKJCYUFHZXLGP-UHFFFAOYSA-N 0 1 217.272 2.043 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nc(C)c(C)[nH]2)C12CCC2 ZINC000568273067 384744141 /nfs/dbraw/zinc/74/41/41/384744141.db2.gz IYEUYTCFHMRDOF-NEPJUHHUSA-N 0 1 249.358 2.074 20 0 BEADMN C[C@H](Cn1ccnc1)N[C@@H](C)c1nccs1 ZINC000083142995 384745591 /nfs/dbraw/zinc/74/55/91/384745591.db2.gz QYRHBNAFINZGKZ-ZJUUUORDSA-N 0 1 236.344 2.079 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](C)[C@@H]2CC)n1 ZINC000185621141 384749092 /nfs/dbraw/zinc/74/90/92/384749092.db2.gz LVPYMOQKYKJYMJ-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](C)[C@@H]2CC)n1 ZINC000185621141 384749096 /nfs/dbraw/zinc/74/90/96/384749096.db2.gz LVPYMOQKYKJYMJ-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CCCCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881078 384753974 /nfs/dbraw/zinc/75/39/74/384753974.db2.gz IUPVALBHUZTPRZ-AWEZNQCLSA-N 0 1 234.343 2.167 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)C(F)F)o1 ZINC000300404236 384758636 /nfs/dbraw/zinc/75/86/36/384758636.db2.gz ISAYJGNYGRLFBG-JEZHCXPESA-N 0 1 245.269 2.119 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@H](C)c2cc(C)on2)C1 ZINC000309981060 384759362 /nfs/dbraw/zinc/75/93/62/384759362.db2.gz WCWKSPRWUUJMNE-OUAUKWLOSA-N 0 1 224.304 2.201 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](CCC2CC2)C1 ZINC000232776858 259658303 /nfs/dbraw/zinc/65/83/03/259658303.db2.gz QGEUDYPLKDHCCK-CYBMUJFWSA-N 0 1 225.332 2.219 20 0 BEADMN CN(CCC1CCCC1)Cc1cnccn1 ZINC000174644342 384820845 /nfs/dbraw/zinc/82/08/45/384820845.db2.gz CPWZCXZGSBXRFG-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN C[C@H](CO)CNCc1ncc(C(C)(C)C)s1 ZINC000279106981 384826882 /nfs/dbraw/zinc/82/68/82/384826882.db2.gz JUXAXAPNMKPSBV-VIFPVBQESA-N 0 1 242.388 2.159 20 0 BEADMN FCCCN1CCN(c2cccs2)CC1 ZINC000151833538 384831150 /nfs/dbraw/zinc/83/11/50/384831150.db2.gz YPLMXXAJWQJICM-UHFFFAOYSA-N 0 1 228.336 2.230 20 0 BEADMN CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000647369268 384835563 /nfs/dbraw/zinc/83/55/63/384835563.db2.gz VDNXQXYDKRXOHY-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000174379472 384784703 /nfs/dbraw/zinc/78/47/03/384784703.db2.gz KKEYFXIQDVAKLI-ZWNOBZJWSA-N 0 1 247.342 2.377 20 0 BEADMN COCc1ccc(CNCc2ccc(O)cc2)o1 ZINC000126610980 384793638 /nfs/dbraw/zinc/79/36/38/384793638.db2.gz XTHNIEQRQHFDGO-UHFFFAOYSA-N 0 1 247.294 2.421 20 0 BEADMN Fc1ccc2c(c1)CN(CCn1ccnc1)CC2 ZINC000163367729 384795866 /nfs/dbraw/zinc/79/58/66/384795866.db2.gz DRBQHZISPVBHOH-UHFFFAOYSA-N 0 1 245.301 2.081 20 0 BEADMN CN(CCc1ccccc1)Cc1ccnn1C ZINC000126460428 384800275 /nfs/dbraw/zinc/80/02/75/384800275.db2.gz MJHAXMKVXRNBGR-UHFFFAOYSA-N 0 1 229.327 2.095 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000104133927 384802423 /nfs/dbraw/zinc/80/24/23/384802423.db2.gz SZNYTZUMXXXEJC-CYBMUJFWSA-N 0 1 232.327 2.500 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)o1 ZINC000053883205 384812367 /nfs/dbraw/zinc/81/23/67/384812367.db2.gz UPKYTFKFCHVUGX-YPMHNXCESA-N 0 1 223.316 2.181 20 0 BEADMN C[C@@H](CNCc1ncc[nH]1)Oc1cccc(F)c1 ZINC000174581083 384814785 /nfs/dbraw/zinc/81/47/85/384814785.db2.gz RXNJMAFZAMTEIO-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN CCCC1(CNC(=O)[C@H](N)c2ccccc2)CC1 ZINC000225561531 384873473 /nfs/dbraw/zinc/87/34/73/384873473.db2.gz TVNOHUCLKBYILZ-CYBMUJFWSA-N 0 1 246.354 2.383 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1c(F)cccc1F ZINC000336096656 384882105 /nfs/dbraw/zinc/88/21/05/384882105.db2.gz LMNIWWORDLZGIU-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN COc1cc(C)cc(CNCc2cncn2C)c1 ZINC000127296108 384882066 /nfs/dbraw/zinc/88/20/66/384882066.db2.gz GWDCOKABCMZRLA-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CN(Cc1cccc(F)c1F)CC1(CO)CC1 ZINC000186803672 384883857 /nfs/dbraw/zinc/88/38/57/384883857.db2.gz LFOCLRJPSBDESP-UHFFFAOYSA-N 0 1 241.281 2.169 20 0 BEADMN CN(Cc1nnc[nH]1)[C@H]1CCCc2ccccc21 ZINC000174806188 384838606 /nfs/dbraw/zinc/83/86/06/384838606.db2.gz OQNXCUUTOMWIMV-ZDUSSCGKSA-N 0 1 242.326 2.314 20 0 BEADMN O=C1CCN(CC[C@@H]2CCOC2)C2(CCC2)C1 ZINC000564465043 384843736 /nfs/dbraw/zinc/84/37/36/384843736.db2.gz CHXYOSQFCAPRNZ-GFCCVEGCSA-N 0 1 237.343 2.001 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000449907796 384843924 /nfs/dbraw/zinc/84/39/24/384843924.db2.gz PUVQORUPDRXQBN-PWSUYJOCSA-N 0 1 235.331 2.242 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000126933839 384844305 /nfs/dbraw/zinc/84/43/05/384844305.db2.gz FDQMDUVZTWOQFJ-CHWSQXEVSA-N 0 1 249.354 2.442 20 0 BEADMN Cc1ccc2nc(CNC(=O)C3CCC3)[nH]c2c1 ZINC000174890126 384846582 /nfs/dbraw/zinc/84/65/82/384846582.db2.gz BLQNMJQIDWZDKE-UHFFFAOYSA-N 0 1 243.310 2.288 20 0 BEADMN CCN1CCN([C@H]2C=CCCC2)C(C)(C)C1=O ZINC000186514345 384847947 /nfs/dbraw/zinc/84/79/47/384847947.db2.gz VAFYIDROTFUVQL-LBPRGKRZSA-N 0 1 236.359 2.038 20 0 BEADMN CCC1(CC)CCN(Cc2nccc(N)n2)CC1 ZINC000186554916 384854170 /nfs/dbraw/zinc/85/41/70/384854170.db2.gz NNVCYGVJZDKRBN-UHFFFAOYSA-N 0 1 248.374 2.461 20 0 BEADMN Cc1cnc([C@@H](C)CNCc2ccon2)s1 ZINC000634975791 384855466 /nfs/dbraw/zinc/85/54/66/384855466.db2.gz HEUBBYJRFNPONC-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1n[nH]cc1C[N@H+]1CCCC2(CC2)C1 ZINC000186607832 384859728 /nfs/dbraw/zinc/85/97/28/384859728.db2.gz USCPGXOAXDFSLV-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccc(Cl)cn2)CO1 ZINC000647199142 384868634 /nfs/dbraw/zinc/86/86/34/384868634.db2.gz OMRLIGSLAXVOME-LDYMZIIASA-N 0 1 226.707 2.002 20 0 BEADMN CC[C@H](c1ccncc1)N(C)C(=O)c1ccn[nH]1 ZINC000127870772 384957029 /nfs/dbraw/zinc/95/70/29/384957029.db2.gz CNONERIXYYXCJB-GFCCVEGCSA-N 0 1 244.298 2.028 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000127476478 384900888 /nfs/dbraw/zinc/90/08/88/384900888.db2.gz HITBASWHJVNWJV-ZDUSSCGKSA-N 0 1 230.315 2.383 20 0 BEADMN Cc1c[nH]nc1C[NH2+]CC(C)(C)C(C)C ZINC000289515656 384901790 /nfs/dbraw/zinc/90/17/90/384901790.db2.gz NKASAVGRTJEYSD-UHFFFAOYSA-N 0 1 209.337 2.490 20 0 BEADMN CC(C)CC[C@](C)(O)CNCc1cscn1 ZINC000077456149 384902617 /nfs/dbraw/zinc/90/26/17/384902617.db2.gz BCPDZRYAIUFKAQ-LBPRGKRZSA-N 0 1 242.388 2.420 20 0 BEADMN Cc1nccc(N[C@H](C)C[C@H](C)O)c1Cl ZINC000336676327 384910731 /nfs/dbraw/zinc/91/07/31/384910731.db2.gz HPFJDSIDPAXDFP-SFYZADRCSA-N 0 1 228.723 2.037 20 0 BEADMN Cc1nc(CN[C@H]2CC[C@@H](F)C2)cs1 ZINC000306392335 384913103 /nfs/dbraw/zinc/91/31/03/384913103.db2.gz GFNVARPENWTWII-BDAKNGLRSA-N 0 1 214.309 2.432 20 0 BEADMN CC[N@@H+](CCCc1ccccc1)CC(=O)[O-] ZINC000001594141 384913241 /nfs/dbraw/zinc/91/32/41/384913241.db2.gz TUADLAZSYGPAHW-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN CCCC[C@](C)(CO)NCc1nccs1 ZINC000647239950 384913387 /nfs/dbraw/zinc/91/33/87/384913387.db2.gz UXRNBAMLKZOHKF-LLVKDONJSA-N 0 1 228.361 2.174 20 0 BEADMN C[N@H+]1CCN(CCOc2ccccc2)CC1(C)C ZINC000557333153 384915073 /nfs/dbraw/zinc/91/50/73/384915073.db2.gz IYFTWKHIMSTAJP-UHFFFAOYSA-N 0 1 248.370 2.091 20 0 BEADMN c1cncc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000027815566 384916007 /nfs/dbraw/zinc/91/60/07/384916007.db2.gz QRLDBDNLYZDUFS-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN c1cncc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000027815566 384916015 /nfs/dbraw/zinc/91/60/15/384916015.db2.gz QRLDBDNLYZDUFS-UHFFFAOYSA-N 0 1 232.312 2.369 20 0 BEADMN Cn1cncc1CN[C@H]1CCc2ccc(F)cc21 ZINC000106478478 384920369 /nfs/dbraw/zinc/92/03/69/384920369.db2.gz VQAXGCATKBBYFR-AWEZNQCLSA-N 0 1 245.301 2.336 20 0 BEADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccccn1 ZINC000310247611 384922841 /nfs/dbraw/zinc/92/28/41/384922841.db2.gz NHSJFFKCHNQCFE-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN CCCC[C@](C)(CO)NCc1ncc(C)s1 ZINC000647240477 384925915 /nfs/dbraw/zinc/92/59/15/384925915.db2.gz VISWHACKHVQCSG-GFCCVEGCSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@@H](O)C[C@H](C)NCc1csc(C2CC2)n1 ZINC000309937793 384927623 /nfs/dbraw/zinc/92/76/23/384927623.db2.gz AQCPDPIUFIBSAM-DTWKUNHWSA-N 0 1 240.372 2.270 20 0 BEADMN CCCC(CCC)C(=O)Nc1nnc(C)[nH]1 ZINC000127711965 384937240 /nfs/dbraw/zinc/93/72/40/384937240.db2.gz KOTCFZWOVJVHMV-UHFFFAOYSA-N 0 1 224.308 2.268 20 0 BEADMN CC[C@@H](O)CNCc1cc(-c2ccccc2)on1 ZINC000644535854 384943872 /nfs/dbraw/zinc/94/38/72/384943872.db2.gz TWGKPWVGMBFLKF-CYBMUJFWSA-N 0 1 246.310 2.202 20 0 BEADMN c1cc(CNc2ccc3c(n2)CCC3)sn1 ZINC000404272365 384965496 /nfs/dbraw/zinc/96/54/96/384965496.db2.gz JJICCVOZOIKWBL-UHFFFAOYSA-N 0 1 231.324 2.061 20 0 BEADMN Cc1cc(C)cc([C@@H](C)NC(=O)CN(C)C)c1 ZINC000107354577 384966231 /nfs/dbraw/zinc/96/62/31/384966231.db2.gz KUSGWYIATPQPFG-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN COC1(CCN[C@@H](C)c2ccon2)CCC1 ZINC000339089501 384970903 /nfs/dbraw/zinc/97/09/03/384970903.db2.gz RGZQZEZCCYCINX-JTQLQIEISA-N 0 1 224.304 2.284 20 0 BEADMN CN(Cc1ccns1)C[C@H]1CCCC[C@@H]1O ZINC000404372648 384973319 /nfs/dbraw/zinc/97/33/19/384973319.db2.gz CLBULIFVHVZZFZ-PWSUYJOCSA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)Cc1noc(C23CCCN2CCC3)n1 ZINC000335634016 384978221 /nfs/dbraw/zinc/97/82/21/384978221.db2.gz CZEZPLBFWHDRPO-UHFFFAOYSA-N 0 1 235.331 2.353 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1ncc(C2CC2)o1 ZINC000555878261 384979118 /nfs/dbraw/zinc/97/91/18/384979118.db2.gz IIBCOXCVLUFENM-LBPRGKRZSA-N 0 1 249.358 2.078 20 0 BEADMN CC[C@H]1CN(Cc2ccnn2CC)CCS1 ZINC000128038010 384982297 /nfs/dbraw/zinc/98/22/97/384982297.db2.gz GXGWHOPGKMETID-LBPRGKRZSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)C2CCC2)n1 ZINC000332051408 385022165 /nfs/dbraw/zinc/02/21/65/385022165.db2.gz ZQSPRIWXHLJLDW-SFYZADRCSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nnc(NC(=O)C=Cc2ccc(C)cc2)[nH]1 ZINC000255027987 384990832 /nfs/dbraw/zinc/99/08/32/384990832.db2.gz WLQCVIOFQRFVDH-FPLPWBNLSA-N 0 1 242.282 2.073 20 0 BEADMN Cc1n[nH]c(NC(=O)C=Cc2ccc(C)cc2)n1 ZINC000255027987 384990837 /nfs/dbraw/zinc/99/08/37/384990837.db2.gz WLQCVIOFQRFVDH-FPLPWBNLSA-N 0 1 242.282 2.073 20 0 BEADMN CCC[C@H]1CCCN(C(=O)c2cnccc2N)C1 ZINC000187925688 384994888 /nfs/dbraw/zinc/99/48/88/384994888.db2.gz XQJFLQWYCKWGNE-NSHDSACASA-N 0 1 247.342 2.316 20 0 BEADMN c1cc(CNCc2ccc3c(c2)OCO3)sn1 ZINC000404454980 384998456 /nfs/dbraw/zinc/99/84/56/384998456.db2.gz IXEONIUIVHAICF-UHFFFAOYSA-N 0 1 248.307 2.162 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCCC[C@H](C)C2)n1 ZINC000187937942 384998570 /nfs/dbraw/zinc/99/85/70/384998570.db2.gz AYFCRSWRIIBTMV-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCCC[C@H](C)C2)n1 ZINC000187937942 384998574 /nfs/dbraw/zinc/99/85/74/384998574.db2.gz AYFCRSWRIIBTMV-NSHDSACASA-N 0 1 249.358 2.367 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)OC(C)(C)C ZINC000104686973 385005413 /nfs/dbraw/zinc/00/54/13/385005413.db2.gz GYKKOFQYILSHOA-SECBINFHSA-N 0 1 201.310 2.058 20 0 BEADMN CC(C)c1nnc(CNC2(C(C)C)CC2)[nH]1 ZINC000339508379 385010304 /nfs/dbraw/zinc/01/03/04/385010304.db2.gz GWYGFEYHBGETGO-UHFFFAOYSA-N 0 1 222.336 2.206 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)sn1 ZINC000404481057 385016396 /nfs/dbraw/zinc/01/63/96/385016396.db2.gz FXBGHZDALKMNJV-QMMMGPOBSA-N 0 1 222.317 2.025 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cnc(C3CC3)o2)[C@H](C)O1 ZINC000449709637 385016623 /nfs/dbraw/zinc/01/66/23/385016623.db2.gz ZTPOJJVRKGCMQK-VDDIYKPWSA-N 0 1 236.315 2.208 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](NCC(C)(F)F)[C@H]1C ZINC000559322224 385050995 /nfs/dbraw/zinc/05/09/95/385050995.db2.gz HHJPVHZHXWIFTP-GUBZILKMSA-N 0 1 249.301 2.209 20 0 BEADMN COCC[C@H]1CCCCN(Cc2ccon2)C1 ZINC000364150083 385063818 /nfs/dbraw/zinc/06/38/18/385063818.db2.gz MMQKMZBYMTXMDM-GFCCVEGCSA-N 0 1 238.331 2.313 20 0 BEADMN CCc1ccc(CNC[C@@](C)(O)c2ccco2)o1 ZINC000150840202 385066561 /nfs/dbraw/zinc/06/65/61/385066561.db2.gz IRJDCEWXMPPXRE-CQSZACIVSA-N 0 1 249.310 2.432 20 0 BEADMN CN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000648274209 385066534 /nfs/dbraw/zinc/06/65/34/385066534.db2.gz QSEOQEIWJBBFQP-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC1CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000644658574 385068260 /nfs/dbraw/zinc/06/82/60/385068260.db2.gz XIODYHONZBFDIL-GFCCVEGCSA-N 0 1 249.358 2.347 20 0 BEADMN CCOC1CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000644658575 385068752 /nfs/dbraw/zinc/06/87/52/385068752.db2.gz XIODYHONZBFDIL-LBPRGKRZSA-N 0 1 249.358 2.347 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CCC(C)C ZINC000106003365 385076405 /nfs/dbraw/zinc/07/64/05/385076405.db2.gz WHONPZUPFOBGDJ-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CCc1cccc(CN2CCCC[C@H]2C(N)=O)c1 ZINC000188684336 385079902 /nfs/dbraw/zinc/07/99/02/385079902.db2.gz UAIZDTPPABYVHX-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN Cc1cc(CC(=O)NC2[C@H](C)CCC[C@@H]2C)[nH]n1 ZINC000176394159 385080256 /nfs/dbraw/zinc/08/02/56/385080256.db2.gz YZIMTUJOXBPTMK-XFLKPENQSA-N 0 1 249.358 2.202 20 0 BEADMN COC(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000151036655 385080481 /nfs/dbraw/zinc/08/04/81/385080481.db2.gz QOSYGZRMNASXPS-STQMWFEESA-N 0 1 247.338 2.346 20 0 BEADMN COC(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000151036602 385081295 /nfs/dbraw/zinc/08/12/95/385081295.db2.gz QOSYGZRMNASXPS-QWHCGFSZSA-N 0 1 247.338 2.346 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(C)ccc1F ZINC000058788601 385024504 /nfs/dbraw/zinc/02/45/04/385024504.db2.gz DIKNBMCRIHOFDT-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN C[C@@H]1CSCCN1Cc1cccc(F)c1N ZINC000156388385 385041028 /nfs/dbraw/zinc/04/10/28/385041028.db2.gz WJBVJKLHJHKITJ-SECBINFHSA-N 0 1 240.347 2.345 20 0 BEADMN Cc1ccc(CN2CC[C@](F)(CO)C2)c(C)c1 ZINC000334145825 385043294 /nfs/dbraw/zinc/04/32/94/385043294.db2.gz ZUWSFGWGBMLSMP-CQSZACIVSA-N 0 1 237.318 2.210 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000130599522 385043832 /nfs/dbraw/zinc/04/38/32/385043832.db2.gz ASEYHRIXVZLEKC-LLVKDONJSA-N 0 1 241.237 2.014 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1csc(C)n1 ZINC000647244064 385046400 /nfs/dbraw/zinc/04/64/00/385046400.db2.gz TXVZNKPWFIILJQ-MWLCHTKSSA-N 0 1 242.388 2.338 20 0 BEADMN CSCCN(C)Cc1ccc(C)cn1 ZINC000157126372 385083543 /nfs/dbraw/zinc/08/35/43/385083543.db2.gz AOQDSPOQWKRWJS-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN CCc1nc(CN[C@@H]2CC23CC3)cs1 ZINC000424181310 385109468 /nfs/dbraw/zinc/10/94/68/385109468.db2.gz BWOXTAQOJGMOIK-SECBINFHSA-N 0 1 208.330 2.348 20 0 BEADMN COc1cccc(OC)c1CN[C@@H]1CC12CC2 ZINC000424183553 385112377 /nfs/dbraw/zinc/11/23/77/385112377.db2.gz JPBAHZLKAHYUMJ-CYBMUJFWSA-N 0 1 233.311 2.346 20 0 BEADMN C[C@]12CCN(CC(F)F)C[C@H]1C2(F)F ZINC000644702076 385119843 /nfs/dbraw/zinc/11/98/43/385119843.db2.gz CHFZVCJYZSYIBY-SVRRBLITSA-N 0 1 211.202 2.229 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000176630890 385122377 /nfs/dbraw/zinc/12/23/77/385122377.db2.gz ZJDGADVSWJQPKO-VIFPVBQESA-N 0 1 233.315 2.159 20 0 BEADMN COc1ccc(CN2CCC(C3CC3)CC2)nn1 ZINC000644719697 385139208 /nfs/dbraw/zinc/13/92/08/385139208.db2.gz BCKYYLQWHUZRSZ-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN CSC1(CNCc2cc(C)on2)CCC1 ZINC000308779707 385090890 /nfs/dbraw/zinc/09/08/90/385090890.db2.gz CDVSJZNXPUIKBD-UHFFFAOYSA-N 0 1 226.345 2.358 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000310534343 385100786 /nfs/dbraw/zinc/10/07/86/385100786.db2.gz AHSKGVNCBCUEBF-CYBMUJFWSA-N 0 1 237.318 2.479 20 0 BEADMN Cc1cncc(CN(C)C[C@@H]2CCCO2)c1 ZINC000189794441 385184951 /nfs/dbraw/zinc/18/49/51/385184951.db2.gz KJLVCOGRSTYYKL-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CN(Cc1nnc[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000177135512 385187716 /nfs/dbraw/zinc/18/77/16/385187716.db2.gz LGLDXNCKJOVZPZ-GFCCVEGCSA-N 0 1 246.289 2.063 20 0 BEADMN Cc1cncc(CN2CCS[C@H](C)C2)c1 ZINC000189869600 385190589 /nfs/dbraw/zinc/19/05/89/385190589.db2.gz AYMSGJKCGRWLHG-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN CC(C)CCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000189862140 385191936 /nfs/dbraw/zinc/19/19/36/385191936.db2.gz MBVNIBXRKXYCPH-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN Cc1noc(CN2CCCC(C)(C)CC2)n1 ZINC000127126789 385148952 /nfs/dbraw/zinc/14/89/52/385148952.db2.gz AKPLFXBEZZMBTO-UHFFFAOYSA-N 0 1 223.320 2.390 20 0 BEADMN C[C@@H](N[C@@H]1C=CCCCCC1)c1nncn1C ZINC000294727769 385149637 /nfs/dbraw/zinc/14/96/37/385149637.db2.gz WCLLHBWNCHKOMI-VXGBXAGGSA-N 0 1 234.347 2.355 20 0 BEADMN CC[C@H](N[C@@H]1CC12CC2)c1ccn(C)n1 ZINC000424315783 385156633 /nfs/dbraw/zinc/15/66/33/385156633.db2.gz DTWQRDNKUMEKLI-GXSJLCMTSA-N 0 1 205.305 2.013 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H](C)CC2CC2)n1 ZINC000308846360 385207641 /nfs/dbraw/zinc/20/76/41/385207641.db2.gz MKUJNHOILHZPCI-JGVFFNPUSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC000190351855 385230696 /nfs/dbraw/zinc/23/06/96/385230696.db2.gz JYCKTTYPAMJEOH-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN OCC[C@H](NCc1cc[nH]c1)c1ccccc1F ZINC000647249532 385232262 /nfs/dbraw/zinc/23/22/62/385232262.db2.gz BKDVMNKPMDNLOG-AWEZNQCLSA-N 0 1 248.301 2.367 20 0 BEADMN CN(Cc1cccnc1Cl)C[C@@H]1CCOC1 ZINC000178352983 385236570 /nfs/dbraw/zinc/23/65/70/385236570.db2.gz CVQXWHWMZLUMLG-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN FC1(F)CCC[C@H](NCc2ncc[nH]2)C1 ZINC000308875610 385243282 /nfs/dbraw/zinc/24/32/82/385243282.db2.gz NCXKGRUUGQZHCC-QMMMGPOBSA-N 0 1 215.247 2.077 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000051361462 385243810 /nfs/dbraw/zinc/24/38/10/385243810.db2.gz HXMRDULFWQXCRR-QMMMGPOBSA-N 0 1 223.272 2.128 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)[C@H](C)N(C)C)CC1 ZINC000647090368 385252058 /nfs/dbraw/zinc/25/20/58/385252058.db2.gz JEUDJDZWOIKWIC-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1nc2ccccc2[nH]1 ZINC000310950871 385252485 /nfs/dbraw/zinc/25/24/85/385252485.db2.gz RBXBJWFNINFEQU-LLVKDONJSA-N 0 1 247.342 2.156 20 0 BEADMN C[C@@H](N[C@@H]1CC12CC2)c1cc2n(n1)CCCC2 ZINC000647309729 385252964 /nfs/dbraw/zinc/25/29/64/385252964.db2.gz NHMJMRKFGOPNAZ-ZWNOBZJWSA-N 0 1 231.343 2.423 20 0 BEADMN Nc1ncccc1CN1CCC(C(F)F)CC1 ZINC000307861280 385303920 /nfs/dbraw/zinc/30/39/20/385303920.db2.gz MJZJUBPYCLNHMC-UHFFFAOYSA-N 0 1 241.285 2.141 20 0 BEADMN Cc1cn[nH]c1CN[C@@H](C1CC1)C(F)(F)F ZINC000289731002 385307476 /nfs/dbraw/zinc/30/74/76/385307476.db2.gz GGQWTFFZIZOXRF-VIFPVBQESA-N 0 1 233.237 2.149 20 0 BEADMN Cc1cn[nH]c1CN[C@H](C1CC1)C(F)(F)F ZINC000289730999 385308041 /nfs/dbraw/zinc/30/80/41/385308041.db2.gz GGQWTFFZIZOXRF-SECBINFHSA-N 0 1 233.237 2.149 20 0 BEADMN COC1(CNCc2nccs2)CCCC1 ZINC000308960916 385313704 /nfs/dbraw/zinc/31/37/04/385313704.db2.gz RZJFBTSKVVZLFH-UHFFFAOYSA-N 0 1 226.345 2.192 20 0 BEADMN COCCN(Cc1ccncc1F)CC(C)C ZINC000449012769 385320680 /nfs/dbraw/zinc/32/06/80/385320680.db2.gz GUGUXVMTXLJVFL-UHFFFAOYSA-N 0 1 240.322 2.325 20 0 BEADMN Cc1noc(C)c1CNC1CC(F)(F)C1 ZINC000308969450 385321741 /nfs/dbraw/zinc/32/17/41/385321741.db2.gz YDJSUASWYCTNPJ-UHFFFAOYSA-N 0 1 216.231 2.179 20 0 BEADMN Cc1nnc(CN(C)C(C2CC2)C2CC2)s1 ZINC000358507075 385259366 /nfs/dbraw/zinc/25/93/66/385259366.db2.gz KUMPZVCZRFXMEM-UHFFFAOYSA-N 0 1 237.372 2.467 20 0 BEADMN CC(C)c1ncc(CN(C)C[C@H](C)O)s1 ZINC000130687370 385274896 /nfs/dbraw/zinc/27/48/96/385274896.db2.gz BGSMEMZWCAYLQQ-VIFPVBQESA-N 0 1 228.361 2.079 20 0 BEADMN C[C@@H](CCN(C)CC(=O)N(C)C)c1ccccc1 ZINC000191061739 385281533 /nfs/dbraw/zinc/28/15/33/385281533.db2.gz RBETWRXRHCBNJJ-ZDUSSCGKSA-N 0 1 248.370 2.200 20 0 BEADMN C[C@@H](O)CN(Cc1ccon1)C1CCCCC1 ZINC000157793249 385282839 /nfs/dbraw/zinc/28/28/39/385282839.db2.gz RGRRJPXXHAVMGW-LLVKDONJSA-N 0 1 238.331 2.190 20 0 BEADMN C[C@H](O)CN(C)Cc1cnc(C(C)(C)C)s1 ZINC000130781328 385284856 /nfs/dbraw/zinc/28/48/56/385284856.db2.gz TZZZXMOTKIVAKV-VIFPVBQESA-N 0 1 242.388 2.253 20 0 BEADMN CO[C@@H](C)CNCc1cc(F)c(F)cc1F ZINC000191150324 385286733 /nfs/dbraw/zinc/28/67/33/385286733.db2.gz AURGWCFPMGBVJW-ZETCQYMHSA-N 0 1 233.233 2.228 20 0 BEADMN CO[C@H](C)CNCc1cc(F)c(F)cc1F ZINC000191150342 385287396 /nfs/dbraw/zinc/28/73/96/385287396.db2.gz AURGWCFPMGBVJW-SSDOTTSWSA-N 0 1 233.233 2.228 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CSC[C@H]2C)s1 ZINC000308926113 385287999 /nfs/dbraw/zinc/28/79/99/385287999.db2.gz DGGXPMRONCUMMK-FJXKBIBVSA-N 0 1 243.401 2.249 20 0 BEADMN Cn1cccc1CN1CC(C)(C)OC(C)(C)C1 ZINC000191194434 385290490 /nfs/dbraw/zinc/29/04/90/385290490.db2.gz XUAQSQHPJXOOQR-UHFFFAOYSA-N 0 1 236.359 2.415 20 0 BEADMN COC(C)(C)CCN[C@H](C)c1ccon1 ZINC000308924555 385297074 /nfs/dbraw/zinc/29/70/74/385297074.db2.gz HWITVAIRGCBLHG-SECBINFHSA-N 0 1 212.293 2.140 20 0 BEADMN CC[C@@H](COC)NCc1cn2c(cccc2C)n1 ZINC000178061903 385329947 /nfs/dbraw/zinc/32/99/47/385329947.db2.gz OJXWCLKLJLPMCB-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228085873 385331266 /nfs/dbraw/zinc/33/12/66/385331266.db2.gz AGKURVYBMAQLFZ-RISCZKNCSA-N 0 1 248.370 2.499 20 0 BEADMN CN(Cc1cocn1)C(C1CC1)C1CC1 ZINC000191938100 385334282 /nfs/dbraw/zinc/33/42/82/385334282.db2.gz CFGLGKMEWWFQSS-UHFFFAOYSA-N 0 1 206.289 2.295 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@@H]2CC2(C)C)cc1 ZINC000228087078 385335123 /nfs/dbraw/zinc/33/51/23/385335123.db2.gz YZTCYPTTWZQPAZ-STQMWFEESA-N 0 1 246.354 2.157 20 0 BEADMN Cc1[nH]ncc1CN1CCOc2cc(F)ccc21 ZINC000191967919 385336188 /nfs/dbraw/zinc/33/61/88/385336188.db2.gz MMOUFVCHAOCJJP-UHFFFAOYSA-N 0 1 247.273 2.256 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2CC(C)C)[nH]1 ZINC000158075346 385339080 /nfs/dbraw/zinc/33/90/80/385339080.db2.gz LHGWCVAVCDCOJJ-LLVKDONJSA-N 0 1 236.363 2.378 20 0 BEADMN Cc1c(CN[C@H](C)c2cncs2)cnn1C ZINC000131564195 385343969 /nfs/dbraw/zinc/34/39/69/385343969.db2.gz QOGMOTUTFVFDHC-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN COc1ccc(Cl)c(CN(C)[C@@H](C)CO)c1 ZINC000192128352 385345218 /nfs/dbraw/zinc/34/52/18/385345218.db2.gz GRODVGMHBNBSMT-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN FCCNCc1ccc(OC(F)F)c(F)c1 ZINC000280671683 385350908 /nfs/dbraw/zinc/35/09/08/385350908.db2.gz MEWAPTMGLHLAGH-UHFFFAOYSA-N 0 1 237.196 2.486 20 0 BEADMN CC(C)(NCCc1cnccn1)c1nccs1 ZINC000402843905 385353380 /nfs/dbraw/zinc/35/33/80/385353380.db2.gz PSXQVTGFQGLFFB-UHFFFAOYSA-N 0 1 248.355 2.001 20 0 BEADMN C[C@@H](NC(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000193265124 385389621 /nfs/dbraw/zinc/38/96/21/385389621.db2.gz JOGZNNAQEALKME-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)(C)CNC(=O)c1ccc(F)cc1O ZINC000179001629 385355949 /nfs/dbraw/zinc/35/59/49/385355949.db2.gz KJDSKRAKOVNKGC-UHFFFAOYSA-N 0 1 225.263 2.307 20 0 BEADMN Cc1cnc([C@@H](C)NCCc2cnccn2)s1 ZINC000402852765 385360975 /nfs/dbraw/zinc/36/09/75/385360975.db2.gz UJFIAPAAUHUMNA-SNVBAGLBSA-N 0 1 248.355 2.135 20 0 BEADMN COC[C@@H](C)NCc1ccc(Br)o1 ZINC000019904460 385362171 /nfs/dbraw/zinc/36/21/71/385362171.db2.gz CBWZJEBURCODJY-SSDOTTSWSA-N 0 1 248.120 2.167 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000158207698 385365981 /nfs/dbraw/zinc/36/59/81/385365981.db2.gz NJHWCNGRIMQMBG-ZDUSSCGKSA-N 0 1 248.326 2.205 20 0 BEADMN COc1cc(CNCCF)ccc1SC ZINC000280781325 385370988 /nfs/dbraw/zinc/37/09/88/385370988.db2.gz PUEFKAOHJXWOHV-UHFFFAOYSA-N 0 1 229.320 2.476 20 0 BEADMN C[C@@H](N[C@H](CO)CC1CCC1)c1nccs1 ZINC000280863049 385382302 /nfs/dbraw/zinc/38/23/02/385382302.db2.gz CHXBPKBFGWHQNC-KOLCDFICSA-N 0 1 240.372 2.345 20 0 BEADMN C[C@H](NCCF)c1ccccc1N(C)C ZINC000281019144 385388058 /nfs/dbraw/zinc/38/80/58/385388058.db2.gz MAQOEFCSSHAJTR-JTQLQIEISA-N 0 1 210.296 2.373 20 0 BEADMN C[C@@H](N[C@@H](CO)CC1CCC1)c1cscn1 ZINC000281277035 385425199 /nfs/dbraw/zinc/42/51/99/385425199.db2.gz XGFALCSFQZWPDY-MWLCHTKSSA-N 0 1 240.372 2.345 20 0 BEADMN Cc1cnccc1NC(=O)c1cn[nH]c1C(C)C ZINC000193562086 385401480 /nfs/dbraw/zinc/40/14/80/385401480.db2.gz DHOCBFQBBLKPBR-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CSCCN(Cc1ccccn1)C1CC1 ZINC000181352668 385405120 /nfs/dbraw/zinc/40/51/20/385405120.db2.gz RDTJCVAOHLSFEJ-UHFFFAOYSA-N 0 1 222.357 2.409 20 0 BEADMN C[C@@H](NCCN1CC=CCC1)c1nccs1 ZINC000281199287 385408551 /nfs/dbraw/zinc/40/85/51/385408551.db2.gz RWLMNYZHLHHBPM-LLVKDONJSA-N 0 1 237.372 2.056 20 0 BEADMN COC(=O)c1cc(C[N@@H+](C)CCCF)oc1C ZINC000169231934 385409817 /nfs/dbraw/zinc/40/98/17/385409817.db2.gz GARZPKQAWYYKKV-UHFFFAOYSA-N 0 1 243.278 2.166 20 0 BEADMN COC(=O)c1cc(CN(C)CCCF)oc1C ZINC000169231934 385409818 /nfs/dbraw/zinc/40/98/18/385409818.db2.gz GARZPKQAWYYKKV-UHFFFAOYSA-N 0 1 243.278 2.166 20 0 BEADMN FCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281789606 385447039 /nfs/dbraw/zinc/44/70/39/385447039.db2.gz XRPCLMNMFDPOBK-LLVKDONJSA-N 0 1 212.243 2.231 20 0 BEADMN CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000054070593 385447925 /nfs/dbraw/zinc/44/79/25/385447925.db2.gz XSTIBFVZCMBPDB-VIFPVBQESA-N 0 1 239.340 2.313 20 0 BEADMN CCOC=CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000492885804 385458054 /nfs/dbraw/zinc/45/80/54/385458054.db2.gz CXZYUBPMECLTAL-SNAWJCMRSA-N 0 1 245.282 2.360 20 0 BEADMN COC[C@H](N[C@H]1CCCOC1)c1ccc(C)o1 ZINC000156486592 385454950 /nfs/dbraw/zinc/45/49/50/385454950.db2.gz JUQRFAUICIYWQQ-RYUDHWBXSA-N 0 1 239.315 2.044 20 0 BEADMN Cc1csc(CN(C)[C@@H](C)C(C)(C)O)n1 ZINC000295088004 385426920 /nfs/dbraw/zinc/42/69/20/385426920.db2.gz DYYCPBALKDPDJV-VIFPVBQESA-N 0 1 228.361 2.043 20 0 BEADMN C[C@@H](NCc1cccc(CO)c1)c1ccccn1 ZINC000179470713 385467134 /nfs/dbraw/zinc/46/71/34/385467134.db2.gz JIQMDJHFLYUTDT-GFCCVEGCSA-N 0 1 242.322 2.425 20 0 BEADMN CCC[C@H](Cc1ccccc1)NC(=O)CN(C)C ZINC000171172528 385471380 /nfs/dbraw/zinc/47/13/80/385471380.db2.gz FSZSMAPYWZMNKD-CQSZACIVSA-N 0 1 248.370 2.076 20 0 BEADMN CCONC(=O)[C@H](c1ccccc1)C1CC1 ZINC000179565205 385474550 /nfs/dbraw/zinc/47/45/50/385474550.db2.gz HXLLAUVWGMKLME-GFCCVEGCSA-N 0 1 219.284 2.248 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1cc2ccccc2o1 ZINC000171250854 385476203 /nfs/dbraw/zinc/47/62/03/385476203.db2.gz DCYYEZYHMAEXJG-SNVBAGLBSA-N 0 1 246.310 2.172 20 0 BEADMN CCN1CCN(C[C@H](C)CC(C)(C)C)CC1=O ZINC001645241380 1172646269 /nfs/dbraw/zinc/64/62/69/1172646269.db2.gz LHGTZYPUECPRGO-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](CNCc1cccnc1Cl)OC ZINC000289814786 385488670 /nfs/dbraw/zinc/48/86/70/385488670.db2.gz NIFHLYCSQWDYKK-SNVBAGLBSA-N 0 1 228.723 2.250 20 0 BEADMN CSCCCN[C@@H](C)c1cc(C)on1 ZINC000281939521 385458885 /nfs/dbraw/zinc/45/88/85/385458885.db2.gz BJYUQSBAWGGHOE-VIFPVBQESA-N 0 1 214.334 2.387 20 0 BEADMN COCc1ccc(C[N@H+](C)[C@@H](C)COC)cc1 ZINC000179368619 385462875 /nfs/dbraw/zinc/46/28/75/385462875.db2.gz NPXQQVHBXKLYNJ-LBPRGKRZSA-N 0 1 237.343 2.300 20 0 BEADMN Cc1ccoc1CNCC1=CCCOC1 ZINC000309234178 385494581 /nfs/dbraw/zinc/49/45/81/385494581.db2.gz XHHDUDDWXRDMTI-UHFFFAOYSA-N 0 1 207.273 2.024 20 0 BEADMN Cc1cn[nH]c1C[NH2+]Cc1cccc(F)c1 ZINC000289828299 385502136 /nfs/dbraw/zinc/50/21/36/385502136.db2.gz JPIAKLYSSOHDLF-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN CC(C)CCCNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000364746331 385508761 /nfs/dbraw/zinc/50/87/61/385508761.db2.gz NKWKSGRDWOTUCE-LLVKDONJSA-N 0 1 249.358 2.382 20 0 BEADMN CCN(Cc1cn2ccccc2n1)C1CC1 ZINC000193778710 385509318 /nfs/dbraw/zinc/50/93/18/385509318.db2.gz WCSHFYDFKOKZSD-UHFFFAOYSA-N 0 1 215.300 2.319 20 0 BEADMN CSC[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000282149639 385510427 /nfs/dbraw/zinc/51/04/27/385510427.db2.gz LAFALMNSYWFTPC-WCBMZHEXSA-N 0 1 227.377 2.131 20 0 BEADMN CCOCCN(Cc1cccnc1)C1CC1 ZINC000180267186 385518326 /nfs/dbraw/zinc/51/83/26/385518326.db2.gz ZGOWQZBBCJYSAH-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN Cc1ccc([C@H]2[C@@H](C)CCCN2CC(N)=O)cc1 ZINC000157699711 385516808 /nfs/dbraw/zinc/51/68/08/385516808.db2.gz PIXAVDICQZYFKR-SWLSCSKDSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@H](C[C@H](C)CO)NCc1cscn1 ZINC000309235308 385490056 /nfs/dbraw/zinc/49/00/56/385490056.db2.gz XKPJGGABHMJBGI-VHSXEESVSA-N 0 1 228.361 2.030 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]2C[C@@H](C)O)s1 ZINC000180665239 385536302 /nfs/dbraw/zinc/53/63/02/385536302.db2.gz SUXMBOLCGXBUOY-MWLCHTKSSA-N 0 1 240.372 2.187 20 0 BEADMN FC(F)(F)[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000334348516 385539362 /nfs/dbraw/zinc/53/93/62/385539362.db2.gz YWYNCEXOGINWBQ-BDAKNGLRSA-N 0 1 223.238 2.050 20 0 BEADMN c1nc(N[C@@H]2CCOC2)cc2c1CCCC2 ZINC000309424989 385577387 /nfs/dbraw/zinc/57/73/87/385577387.db2.gz BMVNGODYISNNKD-GFCCVEGCSA-N 0 1 218.300 2.161 20 0 BEADMN O=C(CCCC1CCCC1)NCCN1CCC1 ZINC000337294063 385587712 /nfs/dbraw/zinc/58/77/12/385587712.db2.gz OPUDVRAKEDHAKY-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CCCC(CCC)N[C@H](C)c1ncn(C)n1 ZINC000309490981 385618360 /nfs/dbraw/zinc/61/83/60/385618360.db2.gz XDFPMBIAKQIIJP-SNVBAGLBSA-N 0 1 224.352 2.435 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C)CC(C)C)c1C ZINC000269824170 385636593 /nfs/dbraw/zinc/63/65/93/385636593.db2.gz UZDKOCCRQMHQOZ-QMMMGPOBSA-N 0 1 223.320 2.191 20 0 BEADMN C[C@H](N[C@H](CCO)c1ccccc1)c1cn[nH]c1 ZINC000280997717 385624666 /nfs/dbraw/zinc/62/46/66/385624666.db2.gz MHMOKFQGXXFWEI-SMDDNHRTSA-N 0 1 245.326 2.184 20 0 BEADMN CC(C)[C@@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000293511840 385625683 /nfs/dbraw/zinc/62/56/83/385625683.db2.gz IBHIQTQGPDRINB-SNVBAGLBSA-N 0 1 243.734 2.152 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H](C)Cc1ccccc1 ZINC000281025835 385627888 /nfs/dbraw/zinc/62/78/88/385627888.db2.gz ZRUPLLIAVGEOIP-CHWSQXEVSA-N 0 1 249.354 2.359 20 0 BEADMN Cc1cc(CN2CC(C)(C(N)=O)C2)cs1 ZINC000335421532 385607171 /nfs/dbraw/zinc/60/71/71/385607171.db2.gz CXUMBUOLEJJOIQ-UHFFFAOYSA-N 0 1 224.329 2.414 20 0 BEADMN CSc1n[nH]c(NC(=O)CCCC2CC2)n1 ZINC000643183628 385608461 /nfs/dbraw/zinc/60/84/61/385608461.db2.gz OOEPISOAMVLLPN-UHFFFAOYSA-N 0 1 240.332 2.045 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cncc(C)c1 ZINC000181829818 385608680 /nfs/dbraw/zinc/60/86/80/385608680.db2.gz VCUNVYVOMSWSER-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@H](N[C@H]1CSC1(C)C)c1nccn1C ZINC000283426930 385664738 /nfs/dbraw/zinc/66/47/38/385664738.db2.gz SAQNWIRQGJTOMD-UWVGGRQHSA-N 0 1 239.388 2.355 20 0 BEADMN COC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229627589 385645789 /nfs/dbraw/zinc/64/57/89/385645789.db2.gz BMLNHRYNPHPGFD-BXUZGUMPSA-N 0 1 245.326 2.448 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)C(C)C)c1 ZINC000205301954 385647011 /nfs/dbraw/zinc/64/70/11/385647011.db2.gz FTYNDCMDQFUQND-UHFFFAOYSA-N 0 1 221.256 2.189 20 0 BEADMN CC[C@@H](C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269943350 385651227 /nfs/dbraw/zinc/65/12/27/385651227.db2.gz SHEWNUQVQOHAFK-SECBINFHSA-N 0 1 244.298 2.456 20 0 BEADMN CC(C)CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269943469 385651503 /nfs/dbraw/zinc/65/15/03/385651503.db2.gz SKGMQGIYKZJJAE-UHFFFAOYSA-N 0 1 244.298 2.456 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000340005972 385661041 /nfs/dbraw/zinc/66/10/41/385661041.db2.gz QJPFJUQQAWDKPC-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc(CN2CC(C)(C)C[C@@H]2C)n1C ZINC000414528311 385673040 /nfs/dbraw/zinc/67/30/40/385673040.db2.gz TVCWZWLBZWVLMN-JTQLQIEISA-N 0 1 221.348 2.349 20 0 BEADMN CCc1nc(NC(=O)C2(CC)CCCC2)n[nH]1 ZINC000182266939 385676284 /nfs/dbraw/zinc/67/62/84/385676284.db2.gz HJVPFHQKONTHOL-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C2(CC)CCCC2)n1 ZINC000182266939 385676286 /nfs/dbraw/zinc/67/62/86/385676286.db2.gz HJVPFHQKONTHOL-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1nnc(NC(=O)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000182265764 385677407 /nfs/dbraw/zinc/67/74/07/385677407.db2.gz STBDNCLVTHRVLP-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H]2CCC[C@H](C)C2)n1 ZINC000182265764 385677416 /nfs/dbraw/zinc/67/74/16/385677416.db2.gz STBDNCLVTHRVLP-IUCAKERBSA-N 0 1 236.319 2.132 20 0 BEADMN Cc1nc(CN[C@H]2CCOC2(C)C)cs1 ZINC000293607089 385681776 /nfs/dbraw/zinc/68/17/76/385681776.db2.gz GIFAZIXUSHENAF-JTQLQIEISA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H](N[C@H]1CC12CCCC2)c1nccn1C ZINC000309551564 385684136 /nfs/dbraw/zinc/68/41/36/385684136.db2.gz IJHBZRJYXHDVFP-MNOVXSKESA-N 0 1 219.332 2.403 20 0 BEADMN C[C@@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000645219886 385686557 /nfs/dbraw/zinc/68/65/57/385686557.db2.gz LUZDOJKBDFCZFC-BXUZGUMPSA-N 0 1 217.312 2.395 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1C)c1ncn(C)n1 ZINC000336734792 385688422 /nfs/dbraw/zinc/68/84/22/385688422.db2.gz HQVHDEYUJJJTKV-OUAUKWLOSA-N 0 1 222.336 2.044 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(F)cn2)[C@@H](C)C1 ZINC000281729732 385697581 /nfs/dbraw/zinc/69/75/81/385697581.db2.gz PSNJWNJRBBOECC-GWCFXTLKSA-N 0 1 238.306 2.220 20 0 BEADMN CC[C@@H](NCc1cscn1)[C@@H](O)C(C)C ZINC000414536744 385704342 /nfs/dbraw/zinc/70/43/42/385704342.db2.gz XVWJDOSLSMETBW-MNOVXSKESA-N 0 1 228.361 2.028 20 0 BEADMN C[C@@H](NC1CCCCCC1)c1ncn(C)n1 ZINC000309568595 385705349 /nfs/dbraw/zinc/70/53/49/385705349.db2.gz MYRAXZWVSGPHOB-SNVBAGLBSA-N 0 1 222.336 2.189 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@@H]1CCC12CCC2 ZINC000337565052 385710490 /nfs/dbraw/zinc/71/04/90/385710490.db2.gz XRWQNEYHOFEIEY-LLVKDONJSA-N 0 1 248.374 2.455 20 0 BEADMN CCCC1(CNc2ncnc3[nH]cnc32)CC1 ZINC000230150281 385713445 /nfs/dbraw/zinc/71/34/45/385713445.db2.gz FPRHEVWJAZGWET-UHFFFAOYSA-N 0 1 231.303 2.345 20 0 BEADMN Cc1sccc1CNCc1cnn(C)c1 ZINC000293595691 385669458 /nfs/dbraw/zinc/66/94/58/385669458.db2.gz OOIVYKRBRYRXRG-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CC(C)Cn1cc(CN(C)C2CC2)cn1 ZINC000183061363 385733065 /nfs/dbraw/zinc/73/30/65/385733065.db2.gz XAFVMXZDWOYCEG-UHFFFAOYSA-N 0 1 207.321 2.133 20 0 BEADMN O=C(c1c(O)cccc1F)N1C[C@H]2CCC[C@@H]2C1 ZINC000129237816 385741209 /nfs/dbraw/zinc/74/12/09/385741209.db2.gz MFRCKEVBHLVIEM-NXEZZACHSA-N 0 1 249.285 2.403 20 0 BEADMN O=C(c1c(O)cccc1F)N1C[C@@H]2CCC[C@H]2C1 ZINC000129238033 385743181 /nfs/dbraw/zinc/74/31/81/385743181.db2.gz MFRCKEVBHLVIEM-UWVGGRQHSA-N 0 1 249.285 2.403 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)C2CC=CC2)n[nH]1 ZINC000270819702 385748957 /nfs/dbraw/zinc/74/89/57/385748957.db2.gz ZFBZBUBYICVMMJ-SECBINFHSA-N 0 1 248.330 2.072 20 0 BEADMN Cc1occc1CNC1CC(F)(F)C1 ZINC000335263703 385750239 /nfs/dbraw/zinc/75/02/39/385750239.db2.gz GPEDBGWBNAKCAC-UHFFFAOYSA-N 0 1 201.216 2.475 20 0 BEADMN C[C@H](C1CCCCC1)N(C)Cc1nccc(N)n1 ZINC000282431147 385760435 /nfs/dbraw/zinc/76/04/35/385760435.db2.gz KCNXPZJKGSNFEF-LLVKDONJSA-N 0 1 248.374 2.459 20 0 BEADMN C(=C/c1ccccc1)\CN1CC2(C1)CCOC2 ZINC000294011885 385787603 /nfs/dbraw/zinc/78/76/03/385787603.db2.gz MYBKWGSBQGRCCC-QPJJXVBHSA-N 0 1 229.323 2.422 20 0 BEADMN C[C@H]1C[C@@H]1CNCc1nnc(C2CC2)s1 ZINC000414558967 385779149 /nfs/dbraw/zinc/77/91/49/385779149.db2.gz TZKAMAKJPKFTSB-IONNQARKSA-N 0 1 223.345 2.161 20 0 BEADMN CCc1ccc(CN(CC)CCOC)o1 ZINC000271061234 385782025 /nfs/dbraw/zinc/78/20/25/385782025.db2.gz XAMDRMQEVHANBW-UHFFFAOYSA-N 0 1 211.305 2.310 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCC[C@H]1CF ZINC000294075490 385799622 /nfs/dbraw/zinc/79/96/22/385799622.db2.gz MYNCVXWEVLBYMX-QMMMGPOBSA-N 0 1 241.237 2.105 20 0 BEADMN COc1ccc(CN2CC[C@H](C)C[C@H]2C)nn1 ZINC000282978999 385802089 /nfs/dbraw/zinc/80/20/89/385802089.db2.gz DGYIIHAPUOJXAJ-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN FC(F)(F)CCN1C[C@@H]2C[C@H]1CS2 ZINC000335583322 385817727 /nfs/dbraw/zinc/81/77/27/385817727.db2.gz DGGVGOKJVGUUPY-BQBZGAKWSA-N 0 1 211.252 2.129 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2c[nH]nc2c1 ZINC000294200551 385821676 /nfs/dbraw/zinc/82/16/76/385821676.db2.gz XUQQCWCAQJUZLT-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN COCCn1cc(C[N@H+]2CCCC23CCC3)cn1 ZINC000365842276 385825195 /nfs/dbraw/zinc/82/51/95/385825195.db2.gz WTEWYCNPKFIGDG-UHFFFAOYSA-N 0 1 249.358 2.048 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2ccc(C)c(F)c2)C[C@@H]1O ZINC000271405112 385825947 /nfs/dbraw/zinc/82/59/47/385825947.db2.gz WNZGHKKVQLKFEK-JSGCOSHPSA-N 0 1 237.318 2.337 20 0 BEADMN c1coc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC000271450693 385829841 /nfs/dbraw/zinc/82/98/41/385829841.db2.gz RUMPWBZZXZEANW-GFCCVEGCSA-N 0 1 237.299 2.055 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cncc(F)c2)C1 ZINC000335669852 385832339 /nfs/dbraw/zinc/83/23/39/385832339.db2.gz PIWOPLURDHUMKH-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN c1c(CN2CC3CCC2CC3)nc2ncccn12 ZINC000366627390 385832635 /nfs/dbraw/zinc/83/26/35/385832635.db2.gz FBIRJJCFYDTKTA-UHFFFAOYSA-N 0 1 242.326 2.104 20 0 BEADMN O=C(CCC1CC1)Nc1n[nH]c2cc(O)ccc21 ZINC000647802548 385835616 /nfs/dbraw/zinc/83/56/16/385835616.db2.gz OSRVEFHRRAQSIQ-UHFFFAOYSA-N 0 1 245.282 2.397 20 0 BEADMN CN(CCc1cscn1)Cc1ccco1 ZINC000283896634 385838867 /nfs/dbraw/zinc/83/88/67/385838867.db2.gz FLIKIYLVVJEZNE-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000294400926 385846480 /nfs/dbraw/zinc/84/64/80/385846480.db2.gz YPOOEKBOFUUUJC-BDAKNGLRSA-N 0 1 229.283 2.043 20 0 BEADMN Cc1cn[nH]c1CN(C)[C@H](C)c1ccncc1 ZINC000284139500 385853923 /nfs/dbraw/zinc/85/39/23/385853923.db2.gz QAHSYLZPPRMNCP-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN COc1cc(F)ccc1NCc1[nH]ncc1C ZINC000284164092 385855038 /nfs/dbraw/zinc/85/50/38/385855038.db2.gz USNRYYWKFLCBPR-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)C[C@@H](C)O1 ZINC000271143327 385792064 /nfs/dbraw/zinc/79/20/64/385792064.db2.gz QHCCZLYKDSGDBH-YPMHNXCESA-N 0 1 222.332 2.024 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC1CCCCC1 ZINC000294693782 385883830 /nfs/dbraw/zinc/88/38/30/385883830.db2.gz GEHFFBMAEJLNCU-CQSZACIVSA-N 0 1 246.354 2.444 20 0 BEADMN CC1(C)C[C@H]1N[C@H](c1cccs1)c1nnc[nH]1 ZINC000294697048 385884253 /nfs/dbraw/zinc/88/42/53/385884253.db2.gz IVIQRBJKLDKJPQ-NXEZZACHSA-N 0 1 248.355 2.344 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000338063372 385885201 /nfs/dbraw/zinc/88/52/01/385885201.db2.gz YJEQFFGFAQYINN-GUBZILKMSA-N 0 1 223.320 2.417 20 0 BEADMN COc1nccc(C[N@H+]2C[C@@H](C)CC2(C)C)n1 ZINC000294763973 385894065 /nfs/dbraw/zinc/89/40/65/385894065.db2.gz IYZBBTFJMGFNMC-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccnc1CN([C@H](C)C1CC1)C1CC1 ZINC000294889558 385909344 /nfs/dbraw/zinc/90/93/44/385909344.db2.gz RJFMREGTKULRGN-SNVBAGLBSA-N 0 1 247.342 2.248 20 0 BEADMN CCC[C@@H](O)CN(C)Cc1ccc(Cl)nc1 ZINC000294895904 385912400 /nfs/dbraw/zinc/91/24/00/385912400.db2.gz GPIKBEWUVAKIJE-LLVKDONJSA-N 0 1 242.750 2.328 20 0 BEADMN COC[C@H](N[C@H]1CSC[C@@H]1C)c1ccco1 ZINC000294935851 385921421 /nfs/dbraw/zinc/92/14/21/385921421.db2.gz BLFLHUYBUUSWMQ-DCAQKATOSA-N 0 1 241.356 2.308 20 0 BEADMN CCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CCC1 ZINC000335034079 385923072 /nfs/dbraw/zinc/92/30/72/385923072.db2.gz NNKOMBRHSQGXPW-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1ccoc1CN1[C@H](C)CC[C@H]1C ZINC000342032782 385923279 /nfs/dbraw/zinc/92/32/79/385923279.db2.gz APAOPVGRDLRLSH-NXEZZACHSA-N 0 1 237.299 2.439 20 0 BEADMN CCCCCNC(=O)c1ccc2cncn2c1 ZINC000284347134 385863584 /nfs/dbraw/zinc/86/35/84/385863584.db2.gz NSNHQRSBKHEMGR-UHFFFAOYSA-N 0 1 231.299 2.254 20 0 BEADMN CO[C@@H](C[N@H+]1CC[C@H](OC)C1)c1ccccc1 ZINC000284381366 385866221 /nfs/dbraw/zinc/86/62/21/385866221.db2.gz MASSTLLYGLBLOD-KBPBESRZSA-N 0 1 235.327 2.095 20 0 BEADMN CCc1cc(C(=O)N2CC(CC)(CC)C2)n[nH]1 ZINC000294584248 385871088 /nfs/dbraw/zinc/87/10/88/385871088.db2.gz YHTYHVMUZKOQNP-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN COc1nccc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)n1 ZINC000294591583 385872300 /nfs/dbraw/zinc/87/23/00/385872300.db2.gz SDZNDXKCPCGXPR-NSHDSACASA-N 0 1 249.358 2.494 20 0 BEADMN Fc1cc(F)c(CNC2CC2)cc1F ZINC000083343564 385874344 /nfs/dbraw/zinc/87/43/44/385874344.db2.gz STEZAOUGIXJFIK-UHFFFAOYSA-N 0 1 201.191 2.356 20 0 BEADMN COc1nccnc1CN1CCC[C@@H](C)[C@H]1C ZINC000294685439 385881771 /nfs/dbraw/zinc/88/17/71/385881771.db2.gz DMBDCNIFLCEDJZ-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1cc2n(n1)CCC2 ZINC000414131631 385978236 /nfs/dbraw/zinc/97/82/36/385978236.db2.gz ZVYYGFVIVUKWKG-NTZNESFSSA-N 0 1 249.358 2.047 20 0 BEADMN COC(=O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000338353140 385978348 /nfs/dbraw/zinc/97/83/48/385978348.db2.gz HJIQWPPAQRWGCP-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN COC(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000338353140 385978353 /nfs/dbraw/zinc/97/83/53/385978353.db2.gz HJIQWPPAQRWGCP-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN COc1ccc(CN2CCC(C)=C(C)C2)nn1 ZINC000338366421 385980408 /nfs/dbraw/zinc/98/04/08/385980408.db2.gz YQGMKSSVAYETJT-UHFFFAOYSA-N 0 1 233.315 2.027 20 0 BEADMN CC[C@H](CO)N(C)Cc1cccc(O)c1Cl ZINC000295172102 385985047 /nfs/dbraw/zinc/98/50/47/385985047.db2.gz UKXZOIMBWCIAAT-SNVBAGLBSA-N 0 1 243.734 2.248 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cccc(O)c1Cl ZINC000295172100 385985319 /nfs/dbraw/zinc/98/53/19/385985319.db2.gz UKXZOIMBWCIAAT-JTQLQIEISA-N 0 1 243.734 2.248 20 0 BEADMN C[C@@H]1OCC[C@@H]1NCc1cc(F)cnc1Cl ZINC000295181006 385985459 /nfs/dbraw/zinc/98/54/59/385985459.db2.gz VTKFPHVYLCLADX-XVKPBYJWSA-N 0 1 244.697 2.141 20 0 BEADMN C[C@@H](NCCOCC(F)F)c1ccncc1F ZINC000338363644 385988555 /nfs/dbraw/zinc/98/85/55/385988555.db2.gz ANXRJNFFLRGLQR-MRVPVSSYSA-N 0 1 248.248 2.153 20 0 BEADMN CCCC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000071739067 385932680 /nfs/dbraw/zinc/93/26/80/385932680.db2.gz RBOQRDJTLGXSQJ-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(=O)[nH]n1 ZINC000285494379 385933452 /nfs/dbraw/zinc/93/34/52/385933452.db2.gz CGKONVARCSZJIB-WDEREUQCSA-N 0 1 243.310 2.182 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000285494376 385934375 /nfs/dbraw/zinc/93/43/75/385934375.db2.gz CGKONVARCSZJIB-QWRGUYRKSA-N 0 1 243.310 2.182 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000272795940 385934988 /nfs/dbraw/zinc/93/49/88/385934988.db2.gz YNTMKLRBSSSMCG-JTQLQIEISA-N 0 1 236.315 2.033 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C)(CC)CC1 ZINC000338259031 385939438 /nfs/dbraw/zinc/93/94/38/385939438.db2.gz UNFBCLMSLVGWLE-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCCCCNC(=O)CN[C@@H](C)c1cccnc1 ZINC000272821311 385940576 /nfs/dbraw/zinc/94/05/76/385940576.db2.gz XFSXLLLVYKINJA-LBPRGKRZSA-N 0 1 249.358 2.039 20 0 BEADMN CC/C=C\CCN1CCn2ccnc2C1 ZINC000342186439 385942115 /nfs/dbraw/zinc/94/21/15/385942115.db2.gz JASSJQQXHYAIGK-ARJAWSKDSA-N 0 1 205.305 2.055 20 0 BEADMN CN(CCc1cscn1)Cc1cccnc1 ZINC000295015848 385943528 /nfs/dbraw/zinc/94/35/28/385943528.db2.gz TWBXZIAEBCGQSF-UHFFFAOYSA-N 0 1 233.340 2.213 20 0 BEADMN CSC[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414067362 385944916 /nfs/dbraw/zinc/94/49/16/385944916.db2.gz ANOVEAWBRITHSE-UWVGGRQHSA-N 0 1 239.388 2.231 20 0 BEADMN CCCCCN(CCSC(C)C)CC(N)=O ZINC000338292027 385946681 /nfs/dbraw/zinc/94/66/81/385946681.db2.gz ZZYJUSIDPLORIX-UHFFFAOYSA-N 0 1 246.420 2.106 20 0 BEADMN CC[C@H]1CCCN1Cc1ncnn1C(C)(C)C ZINC000338306272 385953414 /nfs/dbraw/zinc/95/34/14/385953414.db2.gz NAWCBVKFOAGGMA-NSHDSACASA-N 0 1 236.363 2.408 20 0 BEADMN Cc1noc(C)c1C(C)(C)NCc1cnc[nH]1 ZINC000285732949 385959687 /nfs/dbraw/zinc/95/96/87/385959687.db2.gz QUDSYSCGMTVAPE-UHFFFAOYSA-N 0 1 234.303 2.039 20 0 BEADMN Cc1nc(CCN[C@H](C)c2ccon2)cs1 ZINC000336742275 385959990 /nfs/dbraw/zinc/95/99/90/385959990.db2.gz ODTVUXFEWSXIGF-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1cccc([C@@H](C)N2CC[C@](F)(CO)C2)c1 ZINC000335059025 385962341 /nfs/dbraw/zinc/96/23/41/385962341.db2.gz BKINVPLPAUBRCU-TZMCWYRMSA-N 0 1 237.318 2.462 20 0 BEADMN CCC(O)(CC)CN[C@@H](C)c1cc(C)on1 ZINC000282735290 385962390 /nfs/dbraw/zinc/96/23/90/385962390.db2.gz MVAFTVLUEZMSOA-JTQLQIEISA-N 0 1 226.320 2.185 20 0 BEADMN FC(F)[C@@H]1C[C@@H]1NCc1cccc2c1OCO2 ZINC000342220064 385962485 /nfs/dbraw/zinc/96/24/85/385962485.db2.gz SUQYHLNFUXEODA-BDAKNGLRSA-N 0 1 241.237 2.159 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@@H]1CCCC(F)(F)C1 ZINC000338318616 385965850 /nfs/dbraw/zinc/96/58/50/385965850.db2.gz SBLACHVTBBEJNU-SECBINFHSA-N 0 1 244.289 2.062 20 0 BEADMN CC[C@H](NCc1ccccc1F)[C@H](O)C(F)F ZINC000295113541 385969556 /nfs/dbraw/zinc/96/95/56/385969556.db2.gz VIUIQDJTFQCOFF-QWRGUYRKSA-N 0 1 247.260 2.320 20 0 BEADMN CS[C@@H](C)Cc1nc([C@H](N)CC(C)C)no1 ZINC000414620034 385974010 /nfs/dbraw/zinc/97/40/10/385974010.db2.gz PAFUOHBDMVNZHQ-DTWKUNHWSA-N 0 1 243.376 2.410 20 0 BEADMN Cc1[nH]ccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414627438 385997132 /nfs/dbraw/zinc/99/71/32/385997132.db2.gz RCZYCYPHWPGUSN-SNVBAGLBSA-N 0 1 234.303 2.419 20 0 BEADMN CC[C@@H](C)CCc1nc(C2(N)CCC2)no1 ZINC000414627729 385999139 /nfs/dbraw/zinc/99/91/39/385999139.db2.gz MLMLQCHWKITVQO-SECBINFHSA-N 0 1 223.320 2.386 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CCc2ccoc2)n1 ZINC000414628907 386000227 /nfs/dbraw/zinc/00/02/27/386000227.db2.gz SUWSUXBUFJCXRV-LLVKDONJSA-N 0 1 249.314 2.494 20 0 BEADMN CCCCN(CCOC)Cc1conc1C ZINC000295272579 386002773 /nfs/dbraw/zinc/00/27/73/386002773.db2.gz HTILYFWVVFVTGV-UHFFFAOYSA-N 0 1 226.320 2.232 20 0 BEADMN CO[C@@](C)([C@H](C)N[C@@H]1CCn2ccnc21)C1CC1 ZINC000414244719 386055965 /nfs/dbraw/zinc/05/59/65/386055965.db2.gz SJEDKQLMZWEXPH-SUHUHFCYSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@@H]1CCCCO1 ZINC000414115391 386007976 /nfs/dbraw/zinc/00/79/76/386007976.db2.gz UZHOQRWJYFCHGH-LOWVWBTDSA-N 0 1 237.347 2.028 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCCC[C@@H]1C ZINC000182981861 386016939 /nfs/dbraw/zinc/01/69/39/386016939.db2.gz GVYKMFFKGBNLNK-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1cc[nH]c1-c1nc(C2(N)CCCCC2)no1 ZINC000335071010 386019967 /nfs/dbraw/zinc/01/99/67/386019967.db2.gz NEAGOOWLLKGYRC-UHFFFAOYSA-N 0 1 246.314 2.491 20 0 BEADMN CN(Cc1cccc(O)c1Cl)CC(C)(C)O ZINC000295376624 386020543 /nfs/dbraw/zinc/02/05/43/386020543.db2.gz ORZYZTQRZXAVJI-UHFFFAOYSA-N 0 1 243.734 2.248 20 0 BEADMN CSc1ccccc1[C@@H](C)NCc1c[nH]nn1 ZINC000295424451 386029170 /nfs/dbraw/zinc/02/91/70/386029170.db2.gz UKLWLXLWTVDROB-SECBINFHSA-N 0 1 248.355 2.377 20 0 BEADMN CCC[C@@H](O)CN(C)Cc1cnc(C)s1 ZINC000295434876 386031533 /nfs/dbraw/zinc/03/15/33/386031533.db2.gz FYTYZAAPCCRTOE-SNVBAGLBSA-N 0 1 228.361 2.044 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)n[nH]1 ZINC000273760982 386032141 /nfs/dbraw/zinc/03/21/41/386032141.db2.gz WXASNXQZVVXVQN-JTQLQIEISA-N 0 1 249.358 2.480 20 0 BEADMN CCCCC[N@@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000117883521 386037298 /nfs/dbraw/zinc/03/72/98/386037298.db2.gz BTNVGHJWCZVQFQ-GFCCVEGCSA-N 0 1 249.420 2.322 20 0 BEADMN CCCCCN(CC)[C@H](C)CS(=O)(=O)CC ZINC000117883521 386037302 /nfs/dbraw/zinc/03/73/02/386037302.db2.gz BTNVGHJWCZVQFQ-GFCCVEGCSA-N 0 1 249.420 2.322 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)C(C)(C)C2)n1 ZINC000295465227 386037587 /nfs/dbraw/zinc/03/75/87/386037587.db2.gz RCNGEIIAHZNJRY-LLVKDONJSA-N 0 1 249.358 2.353 20 0 BEADMN CC(C)C(=O)Nc1ccc(F)c(F)c1O ZINC000335074609 386039320 /nfs/dbraw/zinc/03/93/20/386039320.db2.gz BICMKMCNWZNQJQ-UHFFFAOYSA-N 0 1 215.199 2.265 20 0 BEADMN CC(C)C[C@@H](C)Cn1cc(CNC2CC2)nn1 ZINC000309988504 386039535 /nfs/dbraw/zinc/03/95/35/386039535.db2.gz DGJISPMLOLGXQW-LLVKDONJSA-N 0 1 236.363 2.212 20 0 BEADMN c1cnn(-c2ccncc2NCc2ccco2)c1 ZINC000345181512 386049474 /nfs/dbraw/zinc/04/94/74/386049474.db2.gz DGEYDGUMVYGAOP-UHFFFAOYSA-N 0 1 240.266 2.472 20 0 BEADMN CCn1cccc1CNc1nccn1CC ZINC000414295510 386102943 /nfs/dbraw/zinc/10/29/43/386102943.db2.gz FVHSSXVLMXKEDQ-UHFFFAOYSA-N 0 1 218.304 2.337 20 0 BEADMN CCn1ccnc1NCc1ccc(COC)o1 ZINC000414306113 386108902 /nfs/dbraw/zinc/10/89/02/386108902.db2.gz SIJQRHCCRLROKN-UHFFFAOYSA-N 0 1 235.287 2.255 20 0 BEADMN Cc1[nH]ncc1CNc1ncccc1Cl ZINC000038011950 386109003 /nfs/dbraw/zinc/10/90/03/386109003.db2.gz YCRVNTOWVBPXLW-UHFFFAOYSA-N 0 1 222.679 2.379 20 0 BEADMN Cn1cccc1CN1CCC[C@](C)(F)C1 ZINC000295965630 386113704 /nfs/dbraw/zinc/11/37/04/386113704.db2.gz IDDUHYNURDRZJR-LBPRGKRZSA-N 0 1 210.296 2.349 20 0 BEADMN CCC1(NC(=O)c2cccc3nc[nH]c32)CC1 ZINC000295964978 386114363 /nfs/dbraw/zinc/11/43/63/386114363.db2.gz RYCUDFNCHPPPAT-UHFFFAOYSA-N 0 1 229.283 2.235 20 0 BEADMN CCn1ccnc1NCc1cnn(C(C)C)c1 ZINC000414309602 386114388 /nfs/dbraw/zinc/11/43/88/386114388.db2.gz YFLIOXCQULSLJK-UHFFFAOYSA-N 0 1 233.319 2.293 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1 ZINC000038024706 386114828 /nfs/dbraw/zinc/11/48/28/386114828.db2.gz SXAUVMJCLGLHGH-UHFFFAOYSA-N 0 1 225.263 2.122 20 0 BEADMN CN(C)c1ccncc1C(=O)N[C@@H]1CCC1(C)C ZINC000287406359 386118429 /nfs/dbraw/zinc/11/84/29/386118429.db2.gz ZDSCDMKGAZYVDL-GFCCVEGCSA-N 0 1 247.342 2.066 20 0 BEADMN CCc1ccc(CN2CC[C@@](F)(CO)C2)cc1 ZINC000338588665 386062507 /nfs/dbraw/zinc/06/25/07/386062507.db2.gz YYSDBZVOTDPZGF-AWEZNQCLSA-N 0 1 237.318 2.155 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CC(C)=C[C@@H](C)C2)n1 ZINC000430273053 386063324 /nfs/dbraw/zinc/06/33/24/386063324.db2.gz CDFHJTKZLRIMFL-SKDRFNHKSA-N 0 1 247.342 2.450 20 0 BEADMN CC[C@@H](C)[C@H](OC)c1nc(C2(N)CCC2)no1 ZINC000414648870 386063696 /nfs/dbraw/zinc/06/36/96/386063696.db2.gz SMVVHPAYXJZJKP-BDAKNGLRSA-N 0 1 239.319 2.141 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CC(C2CC2)C1 ZINC000643291258 386067103 /nfs/dbraw/zinc/06/71/03/386067103.db2.gz HTYYIAFGURMTIV-UHFFFAOYSA-N 0 1 241.294 2.045 20 0 BEADMN C([C@H]1CCCCO1)N1CCO[C@@H](C2CCC2)C1 ZINC000335188800 386122699 /nfs/dbraw/zinc/12/26/99/386122699.db2.gz AAPOXCUOHBQCRZ-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H](CC(C)(C)C)NCc1nc2ncccn2n1 ZINC000414267104 386087831 /nfs/dbraw/zinc/08/78/31/386087831.db2.gz ITLSVUURJAYGMN-JTQLQIEISA-N 0 1 247.346 2.039 20 0 BEADMN CC(C)(CN[C@H]1CCn2ccnc21)OCC1CC1 ZINC000414271973 386089103 /nfs/dbraw/zinc/08/91/03/386089103.db2.gz PVNZMRMJYRWIAF-LBPRGKRZSA-N 0 1 249.358 2.123 20 0 BEADMN CCCC1(C(=O)Nc2nnc(C)[nH]2)CCC1 ZINC000345305776 386099060 /nfs/dbraw/zinc/09/90/60/386099060.db2.gz JGNDHETXULVCFM-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN CC(C)N(Cc1ccc2c[nH]nc2c1)C1COC1 ZINC000296164837 386145422 /nfs/dbraw/zinc/14/54/22/386145422.db2.gz WTLKTGVHOQTTEM-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN CO[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000274728296 386145430 /nfs/dbraw/zinc/14/54/30/386145430.db2.gz TXSGNZDNOUMELT-RXMQYKEDSA-N 0 1 247.653 2.158 20 0 BEADMN Cc1cn[nH]c1CN1CCC[C@](C)(F)C1 ZINC000296196636 386147689 /nfs/dbraw/zinc/14/76/89/386147689.db2.gz YWPNITVISOZDCQ-NSHDSACASA-N 0 1 211.284 2.042 20 0 BEADMN COCCN(Cc1ccoc1C)C1CC1 ZINC000414366366 386151979 /nfs/dbraw/zinc/15/19/79/386151979.db2.gz BLFHAGGQSYTKKM-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN CC(C)=CCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000365560837 386157354 /nfs/dbraw/zinc/15/73/54/386157354.db2.gz WPVOSFADIHFTIU-AAEUAGOBSA-N 0 1 209.333 2.452 20 0 BEADMN COC(=O)CN(C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000346180223 386160971 /nfs/dbraw/zinc/16/09/71/386160971.db2.gz PUZHCYVNYRJKBB-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccc(NC(=O)CN2CC[C@H](C)C2)cc1 ZINC000263726357 386169392 /nfs/dbraw/zinc/16/93/92/386169392.db2.gz PGYQFCJHBAOUBZ-LBPRGKRZSA-N 0 1 232.327 2.275 20 0 BEADMN Cc1ccc(NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC000263726356 386169862 /nfs/dbraw/zinc/16/98/62/386169862.db2.gz PGYQFCJHBAOUBZ-GFCCVEGCSA-N 0 1 232.327 2.275 20 0 BEADMN CCc1nsc(NC[C@@H](C)CC(F)F)n1 ZINC000645305067 386170371 /nfs/dbraw/zinc/17/03/71/386170371.db2.gz PMVBPTZBAZFLIY-LURJTMIESA-N 0 1 235.303 2.226 20 0 BEADMN Cc1nccc(CN2CCC(C(F)F)CC2)n1 ZINC000334479933 386171158 /nfs/dbraw/zinc/17/11/58/386171158.db2.gz UFECDQZRNARODW-UHFFFAOYSA-N 0 1 241.285 2.262 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncn(C)n1)C1CCCC1 ZINC000336753774 386171631 /nfs/dbraw/zinc/17/16/31/386171631.db2.gz WQOMHINXVXDPBK-ZJUUUORDSA-N 0 1 222.336 2.044 20 0 BEADMN COc1ccc(CNCc2ccn(C)c2)c(F)c1 ZINC000343185386 386186307 /nfs/dbraw/zinc/18/63/07/386186307.db2.gz BKXVTJBMUQKZHS-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000296641604 386191312 /nfs/dbraw/zinc/19/13/12/386191312.db2.gz CDPUIKVUUJEFTN-SFYZADRCSA-N 0 1 246.713 2.387 20 0 BEADMN CCNCc1cn(CC2CCC(C)CC2)nn1 ZINC000310121112 386130458 /nfs/dbraw/zinc/13/04/58/386130458.db2.gz IATRCCTVRSVLFD-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000334463500 386130703 /nfs/dbraw/zinc/13/07/03/386130703.db2.gz ZHQDGXGICDTLIP-VIFPVBQESA-N 0 1 243.310 2.433 20 0 BEADMN Cc1c([C@H](C)NCc2cncc(F)c2)cnn1C ZINC000275162086 386189257 /nfs/dbraw/zinc/18/92/57/386189257.db2.gz JBEAYNIUWWKGQN-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN CC[C@H](N[C@H]1CCC[C@@H]1F)c1cnn(C)c1 ZINC000340529195 386136979 /nfs/dbraw/zinc/13/69/79/386136979.db2.gz ITTLFSKEVVRSTL-SRVKXCTJSA-N 0 1 225.311 2.351 20 0 BEADMN CC(C)c1nccc(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000338796807 386137598 /nfs/dbraw/zinc/13/75/98/386137598.db2.gz VPHBLXKBGGXYLF-TXEJJXNPSA-N 0 1 248.374 2.129 20 0 BEADMN CCn1ccnc1NCc1ccn(C(F)F)n1 ZINC000414304883 386137691 /nfs/dbraw/zinc/13/76/91/386137691.db2.gz RKRDTQZKCYQSAP-UHFFFAOYSA-N 0 1 241.245 2.107 20 0 BEADMN CC[N@H+]1CC[C@@H](N[C@@H](C)c2cc(C)ccn2)C1 ZINC000414354112 386140842 /nfs/dbraw/zinc/14/08/42/386140842.db2.gz ZSEUBPVKXWASAT-QWHCGFSZSA-N 0 1 233.359 2.135 20 0 BEADMN CCC1(CC)CCN([C@H](C)c2nncn2C)C1 ZINC000347049840 386204383 /nfs/dbraw/zinc/20/43/83/386204383.db2.gz JMOVIQQLDPSDKW-LLVKDONJSA-N 0 1 236.363 2.388 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)C[C@H](C)O1 ZINC000347049774 386204662 /nfs/dbraw/zinc/20/46/62/386204662.db2.gz INMJUJYXSFTOQJ-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@H](O)CC2)c1 ZINC000296856627 386207644 /nfs/dbraw/zinc/20/76/44/386207644.db2.gz YPTZURRLPBGGJD-HNNXBMFYSA-N 0 1 247.338 2.236 20 0 BEADMN C[C@H](NCc1nccc(N)n1)[C@H]1CCC[C@@H](C)C1 ZINC000452060038 386212679 /nfs/dbraw/zinc/21/26/79/386212679.db2.gz LMSDXVAIZQNPPZ-WOPDTQHZSA-N 0 1 248.374 2.194 20 0 BEADMN CC[C@@H](N[C@@H](CC)C(F)F)[C@@H]1CCOC1 ZINC000453227033 386259728 /nfs/dbraw/zinc/25/97/28/386259728.db2.gz AESUUCLUCGGEPU-BBBLOLIVSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000373536428 386215555 /nfs/dbraw/zinc/21/55/55/386215555.db2.gz WGIVJRBQFVLEFT-CQSZACIVSA-N 0 1 249.358 2.109 20 0 BEADMN CC[C@H](N[C@@H](CC)[C@@H]1CCOC1)C(F)F ZINC000453227035 386259876 /nfs/dbraw/zinc/25/98/76/386259876.db2.gz AESUUCLUCGGEPU-UTLUCORTSA-N 0 1 221.291 2.435 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)n[nH]1 ZINC000264229142 386217861 /nfs/dbraw/zinc/21/78/61/386217861.db2.gz LVPBJTGEPXKKLQ-LLVKDONJSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)C1CCC1 ZINC000297050723 386221337 /nfs/dbraw/zinc/22/13/37/386221337.db2.gz YNVIDEMKETXKAU-CYBMUJFWSA-N 0 1 232.327 2.006 20 0 BEADMN CN(Cc1ccccn1)[C@H](CO)c1ccccc1 ZINC000264267063 386223132 /nfs/dbraw/zinc/22/31/32/386223132.db2.gz KUYZHOWSTFERJX-OAHLLOKOSA-N 0 1 242.322 2.247 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125171574 386231741 /nfs/dbraw/zinc/23/17/41/386231741.db2.gz ZFXIIVICGRMJCE-CBAPKCEASA-N 0 1 214.334 2.137 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)c1ccc(C2CC2)cc1 ZINC000416291047 386243341 /nfs/dbraw/zinc/24/33/41/386243341.db2.gz NLGIRWDKVQETTB-LLVKDONJSA-N 0 1 246.354 2.303 20 0 BEADMN CCc1ccc(C[N@@H+]2CC=C(COC)CC2)nc1 ZINC000339091568 386243997 /nfs/dbraw/zinc/24/39/97/386243997.db2.gz VPARSDZZGYCTJN-UHFFFAOYSA-N 0 1 246.354 2.423 20 0 BEADMN CCc1ccc(CN2CC=C(COC)CC2)nc1 ZINC000339091568 386243999 /nfs/dbraw/zinc/24/39/99/386243999.db2.gz VPARSDZZGYCTJN-UHFFFAOYSA-N 0 1 246.354 2.423 20 0 BEADMN CCN(CC)Cc1cnc([C@@H](C)O)s1 ZINC000288979810 386247186 /nfs/dbraw/zinc/24/71/86/386247186.db2.gz CJVVHUKXDFFFPX-MRVPVSSYSA-N 0 1 214.334 2.038 20 0 BEADMN CCN(CC)Cc1cnc([C@H](C)O)s1 ZINC000288979811 386247585 /nfs/dbraw/zinc/24/75/85/386247585.db2.gz CJVVHUKXDFFFPX-QMMMGPOBSA-N 0 1 214.334 2.038 20 0 BEADMN Cc1cnn(C)c1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000288987958 386249687 /nfs/dbraw/zinc/24/96/87/386249687.db2.gz CXGMCGZOMTULDK-CYBMUJFWSA-N 0 1 244.342 2.394 20 0 BEADMN Cc1ccncc1CCCN1C[C@@H](C)OC[C@H]1C ZINC000288997573 386250500 /nfs/dbraw/zinc/25/05/00/386250500.db2.gz DSPRWBKEGQJIRC-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1nc(C)sc1C ZINC000336646094 386255077 /nfs/dbraw/zinc/25/50/77/386255077.db2.gz DQFIPWFSHIGHAL-SECBINFHSA-N 0 1 242.388 2.353 20 0 BEADMN CO[C@H]1CN(Cc2cncc(F)c2)CC[C@@H]1C ZINC000275961527 386256034 /nfs/dbraw/zinc/25/60/34/386256034.db2.gz KINCDZVGOWKWEK-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN C[C@H](COc1cccc(F)c1)NCc1ncc[nH]1 ZINC000263903454 386191850 /nfs/dbraw/zinc/19/18/50/386191850.db2.gz YEUCWTOXIIVVRL-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN C[C@H](CO)N(C)Cc1cccc(Cl)c1F ZINC000191000992 386194071 /nfs/dbraw/zinc/19/40/71/386194071.db2.gz WXXHIOXADQGTKY-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@@H](CO)N(C)Cc1cccc(Cl)c1F ZINC000191000976 386194789 /nfs/dbraw/zinc/19/47/89/386194789.db2.gz WXXHIOXADQGTKY-QMMMGPOBSA-N 0 1 231.698 2.292 20 0 BEADMN CN(Cc1ccn(C)n1)CC1CCCCC1 ZINC000340281193 386198449 /nfs/dbraw/zinc/19/84/49/386198449.db2.gz UVPKEFJBDIAPMH-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN CCN(CC)C(=O)CNC1(c2ccccc2)CC1 ZINC000263981697 386200136 /nfs/dbraw/zinc/20/01/36/386200136.db2.gz GBTBVPUZFIWDDO-UHFFFAOYSA-N 0 1 246.354 2.134 20 0 BEADMN COc1nccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)n1 ZINC000296781343 386200444 /nfs/dbraw/zinc/20/04/44/386200444.db2.gz LUZWGGRZBMFJQW-YPMHNXCESA-N 0 1 249.358 2.496 20 0 BEADMN COc1ncncc1CN(C1CC1)C1CCCC1 ZINC000648001522 386200485 /nfs/dbraw/zinc/20/04/85/386200485.db2.gz WJFQKMPVVURCTP-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1c(C(=O)NCc2cnc[nH]2)ccn1C(C)C ZINC000340585566 386285150 /nfs/dbraw/zinc/28/51/50/386285150.db2.gz YBIITXFQONZTGI-UHFFFAOYSA-N 0 1 246.314 2.031 20 0 BEADMN Cc1nnc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)[nH]1 ZINC000452086987 386285995 /nfs/dbraw/zinc/28/59/95/386285995.db2.gz YDCYERFXDJJUBW-NSHDSACASA-N 0 1 236.363 2.371 20 0 BEADMN CCCC[N@@H+](CCCO)Cc1scnc1C ZINC000289376658 386292641 /nfs/dbraw/zinc/29/26/41/386292641.db2.gz BXJBXIWRWDMYJW-UHFFFAOYSA-N 0 1 242.388 2.436 20 0 BEADMN COCc1cc(CN[C@H]2CCC2(C)C)no1 ZINC000298068872 386295737 /nfs/dbraw/zinc/29/57/37/386295737.db2.gz KUDIOUBWMCTIPR-NSHDSACASA-N 0 1 224.304 2.099 20 0 BEADMN Cc1noc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000336661063 386299561 /nfs/dbraw/zinc/29/95/61/386299561.db2.gz BPRXIBMODIBVRA-OPRDCNLKSA-N 0 1 223.320 2.244 20 0 BEADMN CC[C@@H](C(=O)Nc1c(C)cccc1F)N(C)C ZINC000298145217 386302991 /nfs/dbraw/zinc/30/29/91/386302991.db2.gz CKNHAFSTTWTTMV-NSHDSACASA-N 0 1 238.306 2.413 20 0 BEADMN CC(C)N(C)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000647886738 386307893 /nfs/dbraw/zinc/30/78/93/386307893.db2.gz OYKOLOANYCGIEP-NSHDSACASA-N 0 1 240.734 2.207 20 0 BEADMN CC[C@@H](C(=O)NC1CC1)N(C)Cc1ccccc1 ZINC000339236280 386311197 /nfs/dbraw/zinc/31/11/97/386311197.db2.gz SCSZNUUKRNWFLL-AWEZNQCLSA-N 0 1 246.354 2.176 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@H](C2CC2)C1 ZINC000289483851 386313799 /nfs/dbraw/zinc/31/37/99/386313799.db2.gz RZNQCLRQOSPBHB-ZDUSSCGKSA-N 0 1 246.354 2.330 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)CC[C@@H]1C ZINC000334483008 386313982 /nfs/dbraw/zinc/31/39/82/386313982.db2.gz XOWDJTCIUARSNQ-UWVGGRQHSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C[C@@H]1C ZINC000334483012 386314134 /nfs/dbraw/zinc/31/41/34/386314134.db2.gz XOWDJTCIUARSNQ-ZJUUUORDSA-N 0 1 247.342 2.405 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC=CCC2)c1C ZINC000265192932 386315414 /nfs/dbraw/zinc/31/54/14/386315414.db2.gz HXHYFCRRWXAWSF-LLVKDONJSA-N 0 1 233.315 2.113 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1C ZINC000265198862 386316753 /nfs/dbraw/zinc/31/67/53/386316753.db2.gz JADWMRNPAUQBME-VXNVDRBHSA-N 0 1 223.320 2.191 20 0 BEADMN Cc1n[nH]c(C(=O)NCCC2CCCC2)c1C ZINC000265242115 386322414 /nfs/dbraw/zinc/32/24/14/386322414.db2.gz QKYUYXGJVBLZRH-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN CCC1(C)CN(Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000297515179 386261862 /nfs/dbraw/zinc/26/18/62/386261862.db2.gz XOGVWNUKRYVPOW-UHFFFAOYSA-N 0 1 236.315 2.033 20 0 BEADMN Cc1ccsc1CN1CCC[C@](F)(CO)C1 ZINC000289145371 386265092 /nfs/dbraw/zinc/26/50/92/386265092.db2.gz AODMPFMYLMWEIF-GFCCVEGCSA-N 0 1 243.347 2.353 20 0 BEADMN COCc1cc(CN(C)C2CCCC2)no1 ZINC000297613422 386265552 /nfs/dbraw/zinc/26/55/52/386265552.db2.gz GTMOZFUYLNVONH-UHFFFAOYSA-N 0 1 224.304 2.195 20 0 BEADMN Cc1ccncc1CCCN1CCOC[C@@H]1C ZINC000289174821 386268900 /nfs/dbraw/zinc/26/89/00/386268900.db2.gz SFQTYIIHMREPSL-ZDUSSCGKSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@]1(C)CN(CCOC2CCC2)CCO1 ZINC000347183703 386272023 /nfs/dbraw/zinc/27/20/23/386272023.db2.gz LPNGWFWGWCZORF-CYBMUJFWSA-N 0 1 227.348 2.056 20 0 BEADMN Cc1cn[nH]c1CNc1cccc(CCCO)c1 ZINC000340579334 386275484 /nfs/dbraw/zinc/27/54/84/386275484.db2.gz TZXAWZYLDNZZLG-UHFFFAOYSA-N 0 1 245.326 2.255 20 0 BEADMN COCc1cc(CN2CC[C@@H](C)[C@H]2C)no1 ZINC000297763436 386279527 /nfs/dbraw/zinc/27/95/27/386279527.db2.gz LTYPNVJCEVIKSM-NXEZZACHSA-N 0 1 224.304 2.051 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)[C@@H](C)[C@H]1C ZINC000416323424 386280207 /nfs/dbraw/zinc/28/02/07/386280207.db2.gz UPRXHWUYWAEOOU-UTLUCORTSA-N 0 1 247.342 2.404 20 0 BEADMN Cc1[nH]ncc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000334491649 386346557 /nfs/dbraw/zinc/34/65/57/386346557.db2.gz QTKVQBREZHIMJA-UHFFFAOYSA-N 0 1 239.388 2.436 20 0 BEADMN CC(C)(C(=O)Nc1ccccc1F)c1cnc[nH]1 ZINC000334491690 386346852 /nfs/dbraw/zinc/34/68/52/386346852.db2.gz JHMGYSMQMXYREM-UHFFFAOYSA-N 0 1 247.273 2.465 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1nc2ccccc2n1C ZINC000289746816 386350519 /nfs/dbraw/zinc/35/05/19/386350519.db2.gz HXPFYRKONYTPFU-MNOVXSKESA-N 0 1 247.342 2.086 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCc2ccc(F)cc21 ZINC000263579094 386360743 /nfs/dbraw/zinc/36/07/43/386360743.db2.gz UDGFGSAIQHUOHP-GFCCVEGCSA-N 0 1 237.274 2.220 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnc(N(C)C)s1 ZINC000335271791 386361119 /nfs/dbraw/zinc/36/11/19/386361119.db2.gz BXYVIXIKSZLVHL-DTORHVGOSA-N 0 1 225.361 2.192 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265702943 386362767 /nfs/dbraw/zinc/36/27/67/386362767.db2.gz ROPBDTBGIFPWSO-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@](C)(CC)OC ZINC000453304833 386386974 /nfs/dbraw/zinc/38/69/74/386386974.db2.gz PSRLNWPFOVXUMV-YPMHNXCESA-N 0 1 239.363 2.369 20 0 BEADMN CC1(C)CN(CCCc2ccncc2)CCO1 ZINC000347361581 386364716 /nfs/dbraw/zinc/36/47/16/386364716.db2.gz LICVTSZLRMQMIG-UHFFFAOYSA-N 0 1 234.343 2.125 20 0 BEADMN Cc1ccc(CN2CCC[C@](F)(CO)C2)s1 ZINC000289862746 386364756 /nfs/dbraw/zinc/36/47/56/386364756.db2.gz QRKRCZMSXXVHLQ-GFCCVEGCSA-N 0 1 243.347 2.353 20 0 BEADMN C[C@@H](N[C@@H](C)CCc1ccco1)c1ncnn1C ZINC000276714134 386368175 /nfs/dbraw/zinc/36/81/75/386368175.db2.gz XASRUPXNNIVOPU-WDEREUQCSA-N 0 1 248.330 2.080 20 0 BEADMN CCCCN(CC)C(=O)NCc1cn[nH]c1C ZINC000298667804 386368896 /nfs/dbraw/zinc/36/88/96/386368896.db2.gz GEVGDJUGWWHIMR-UHFFFAOYSA-N 0 1 238.335 2.050 20 0 BEADMN COCc1ccccc1CNCc1n[nH]cc1C ZINC000289920099 386370230 /nfs/dbraw/zinc/37/02/30/386370230.db2.gz OMGZTSUMTKBXRR-UHFFFAOYSA-N 0 1 245.326 2.154 20 0 BEADMN C[C@H](NCCOC1CCC1)c1ccncc1F ZINC000340328574 386373877 /nfs/dbraw/zinc/37/38/77/386373877.db2.gz COTZVRHPYJYWFX-JTQLQIEISA-N 0 1 238.306 2.440 20 0 BEADMN Cc1ccc([C@@H](C)N(C)C(=O)CN(C)C)c(C)c1 ZINC000298713042 386375715 /nfs/dbraw/zinc/37/57/15/386375715.db2.gz NQMQLWDWGAILLU-CYBMUJFWSA-N 0 1 248.370 2.384 20 0 BEADMN CCN(C)C(=O)CN(CC)CCc1ccccc1 ZINC000298747079 386378122 /nfs/dbraw/zinc/37/81/22/386378122.db2.gz DXFSBGZPNSUWHR-UHFFFAOYSA-N 0 1 248.370 2.029 20 0 BEADMN CCC[C@@H](C)N(C)Cc1n[nH]c(C2CC2)n1 ZINC000347391837 386379397 /nfs/dbraw/zinc/37/93/97/386379397.db2.gz KDQSBFCNRHOGKA-SECBINFHSA-N 0 1 222.336 2.303 20 0 BEADMN CCC[C@@]1(CO)CCN(Cc2cncs2)C1 ZINC000290007864 386382900 /nfs/dbraw/zinc/38/29/00/386382900.db2.gz DMAOHZMRUUQJQQ-GFCCVEGCSA-N 0 1 240.372 2.128 20 0 BEADMN Cc1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000237500194 386383013 /nfs/dbraw/zinc/38/30/13/386383013.db2.gz NKQPSKRGDRXKDM-LBPRGKRZSA-N 0 1 236.359 2.410 20 0 BEADMN CCC[C@]1(CO)CCN(Cc2cncs2)C1 ZINC000290009329 386383693 /nfs/dbraw/zinc/38/36/93/386383693.db2.gz DMAOHZMRUUQJQQ-LBPRGKRZSA-N 0 1 240.372 2.128 20 0 BEADMN c1cc([C@H]2CCCCN2CC2=CCCOC2)n[nH]1 ZINC000289573586 386328758 /nfs/dbraw/zinc/32/87/58/386328758.db2.gz STGKXCKXPSFWBR-CQSZACIVSA-N 0 1 247.342 2.283 20 0 BEADMN CC(C)n1ccc(CN2CC[C@@H](C)C2)n1 ZINC000265343358 386329532 /nfs/dbraw/zinc/32/95/32/386329532.db2.gz QGECTJIJVGAGFN-LLVKDONJSA-N 0 1 207.321 2.306 20 0 BEADMN C[C@@H](O)CCCN1CCn2cccc2[C@H]1C ZINC000336678025 386330681 /nfs/dbraw/zinc/33/06/81/386330681.db2.gz WNRHHFTZZCPABP-VXGBXAGGSA-N 0 1 222.332 2.026 20 0 BEADMN CC(C)[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000336683327 386331967 /nfs/dbraw/zinc/33/19/67/386331967.db2.gz DNLBDVYGYGYNGC-NSHDSACASA-N 0 1 235.331 2.425 20 0 BEADMN FC1(F)CC(NCc2cn3ccccc3n2)C1 ZINC000277607784 386452571 /nfs/dbraw/zinc/45/25/71/386452571.db2.gz IZKFLWRUUQVADA-UHFFFAOYSA-N 0 1 237.253 2.222 20 0 BEADMN Cc1cc(CN(C)CCc2cccs2)nn1C ZINC000336718155 386440353 /nfs/dbraw/zinc/44/03/53/386440353.db2.gz WVGUNXDDIJEVCP-UHFFFAOYSA-N 0 1 249.383 2.465 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1ccoc1C ZINC000290503276 386447374 /nfs/dbraw/zinc/44/73/74/386447374.db2.gz SOOGTCZQOYISMX-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN Cc1c[nH]nc1CNCc1ccccc1 ZINC000284239669 386448254 /nfs/dbraw/zinc/44/82/54/386448254.db2.gz ZQDHVIVWEKPUPQ-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN COc1cc([C@H](C)NCc2ccncc2)ccn1 ZINC000347557738 386451104 /nfs/dbraw/zinc/45/11/04/386451104.db2.gz OKFYFVSDVYMHEO-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN CC[C@@H](NC(=O)C(F)(F)F)c1ccncc1 ZINC000266064675 386395765 /nfs/dbraw/zinc/39/57/65/386395765.db2.gz IWRUHHVQAQALTF-MRVPVSSYSA-N 0 1 232.205 2.211 20 0 BEADMN CSCCCN[C@H](C)c1cc(C)on1 ZINC000281939517 386398515 /nfs/dbraw/zinc/39/85/15/386398515.db2.gz BJYUQSBAWGGHOE-SECBINFHSA-N 0 1 214.334 2.387 20 0 BEADMN CC(C)N1C(=O)CN(CCC2CC2)CC1(C)C ZINC000336705849 386399473 /nfs/dbraw/zinc/39/94/73/386399473.db2.gz HWPUEQQCUCHDMY-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN COCC1(C)CCN(Cc2ccc(C)nn2)CC1 ZINC000414426603 386404698 /nfs/dbraw/zinc/40/46/98/386404698.db2.gz HUUNVNUYPWWLKU-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc(C2CC2)[nH]1 ZINC000347443092 386404857 /nfs/dbraw/zinc/40/48/57/386404857.db2.gz RFFMLXRBQHUYPY-KOLCDFICSA-N 0 1 234.347 2.303 20 0 BEADMN c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299102740 386412064 /nfs/dbraw/zinc/41/20/64/386412064.db2.gz NAZRRTFSFJITSR-ZIAGYGMSSA-N 0 1 217.312 2.440 20 0 BEADMN CCCc1noc(CN2CCC[C@@H]2CC)n1 ZINC000336707334 386412404 /nfs/dbraw/zinc/41/24/04/386412404.db2.gz SKZBKHMATVDKAW-JTQLQIEISA-N 0 1 223.320 2.397 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccnn1CC(C)C ZINC000648033930 386415579 /nfs/dbraw/zinc/41/55/79/386415579.db2.gz AHHXYRNYSCJAFS-GFCCVEGCSA-N 0 1 239.363 2.006 20 0 BEADMN CCn1nncc1CNC/C=C/c1ccccc1 ZINC000417907664 386419843 /nfs/dbraw/zinc/41/98/43/386419843.db2.gz AJQJJFJQVIVKBB-RMKNXTFCSA-N 0 1 242.326 2.101 20 0 BEADMN CCC1CCN(Cc2n[nH]cc2C)CC1 ZINC000290334972 386422243 /nfs/dbraw/zinc/42/22/43/386422243.db2.gz CXLZIAUWXNNRFR-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN Cc1noc(CCC[N@H+](C)Cc2ccoc2)n1 ZINC000336713718 386430191 /nfs/dbraw/zinc/43/01/91/386430191.db2.gz SVMSBDBKLQTJDJ-UHFFFAOYSA-N 0 1 235.287 2.036 20 0 BEADMN Cc1nc(CN[C@H](C)[C@H]2CCCO2)c(C)s1 ZINC000336777738 386434369 /nfs/dbraw/zinc/43/43/69/386434369.db2.gz JJRCKESFRDZWMB-PRHODGIISA-N 0 1 240.372 2.417 20 0 BEADMN CCc1ncc(CN(C)[C@@H](C)COC)s1 ZINC000266763457 386468726 /nfs/dbraw/zinc/46/87/26/386468726.db2.gz ULLSXOXGYBMZRN-VIFPVBQESA-N 0 1 228.361 2.172 20 0 BEADMN Cc1cc(CNCc2cnccc2C)ccn1 ZINC000391191970 386474505 /nfs/dbraw/zinc/47/45/05/386474505.db2.gz RXMUURKCEKTNPW-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cn[nH]c1CN[C@H](C(C)C)C(F)(F)F ZINC000336742490 386479271 /nfs/dbraw/zinc/47/92/71/386479271.db2.gz OEYZKYRBXOEWKB-SECBINFHSA-N 0 1 235.253 2.395 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263579350 386485635 /nfs/dbraw/zinc/48/56/35/386485635.db2.gz UOIHOEOINVYBPG-CYBMUJFWSA-N 0 1 233.311 2.156 20 0 BEADMN CN(C(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000335442685 386504387 /nfs/dbraw/zinc/50/43/87/386504387.db2.gz RKPUAKXZAQRUJN-UHFFFAOYSA-N 0 1 231.299 2.205 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1CC=C(C)CC1 ZINC000339660185 386508441 /nfs/dbraw/zinc/50/84/41/386508441.db2.gz KUVCIHUOIVWRDX-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN CCCCN(CC)C(=O)CN1CC=C(C)CC1 ZINC000339658623 386509822 /nfs/dbraw/zinc/50/98/22/386509822.db2.gz NVNXMZMZIODWQZ-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN CCCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000343229292 386513130 /nfs/dbraw/zinc/51/31/30/386513130.db2.gz RATLQYJBOAZTTR-TXEJJXNPSA-N 0 1 238.375 2.260 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000645411142 386514284 /nfs/dbraw/zinc/51/42/84/386514284.db2.gz ICCQJUHTTCKJCG-LLVKDONJSA-N 0 1 239.363 2.367 20 0 BEADMN CCN(Cc1c(C)nsc1C)[C@@H]1CCOC1 ZINC000519641462 386515033 /nfs/dbraw/zinc/51/50/33/386515033.db2.gz GGNOEQGONFDMQZ-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN CCOC[C@@H](NCc1coc(C)n1)C(C)C ZINC000647972696 386515596 /nfs/dbraw/zinc/51/55/96/386515596.db2.gz LGAKRFCPBHBXLA-GFCCVEGCSA-N 0 1 226.320 2.134 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCSC1CCCCC1 ZINC000519649333 386517099 /nfs/dbraw/zinc/51/70/99/386517099.db2.gz ZJKZCNPZOSVDMI-SNVBAGLBSA-N 0 1 245.388 2.457 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339681185 386520718 /nfs/dbraw/zinc/52/07/18/386520718.db2.gz YQUKLUVECIAOGT-ZYHUDNBSSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1cnc(CN[C@@H]2CCSC2)s1 ZINC000122863228 386522410 /nfs/dbraw/zinc/52/24/10/386522410.db2.gz CIBMFMZDGGOROI-MRVPVSSYSA-N 0 1 214.359 2.047 20 0 BEADMN Cn1ccc(CN2CCOC[C@H]2C2CCC2)c1 ZINC000335450407 386522915 /nfs/dbraw/zinc/52/29/15/386522915.db2.gz XCVVDFUFOCPRDW-AWEZNQCLSA-N 0 1 234.343 2.026 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000278406840 386523037 /nfs/dbraw/zinc/52/30/37/386523037.db2.gz GPYNAXNVQVLHGQ-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN N[C@@H](C(=O)NC1CCC1)c1cccc(Cl)c1 ZINC000647973451 386524583 /nfs/dbraw/zinc/52/45/83/386524583.db2.gz DCRFNBFQXSNEAE-LLVKDONJSA-N 0 1 238.718 2.009 20 0 BEADMN COc1ncncc1CN1CC(C)(C)C[C@@H]1C ZINC000648044171 386524686 /nfs/dbraw/zinc/52/46/86/386524686.db2.gz WILKQLWEDKGSPO-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CCSC2)no1 ZINC000278433945 386525422 /nfs/dbraw/zinc/52/54/22/386525422.db2.gz KJUYLHBHEOLCMX-JTQLQIEISA-N 0 1 226.345 2.168 20 0 BEADMN Fc1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291231891 386525662 /nfs/dbraw/zinc/52/56/62/386525662.db2.gz KMDWEKLPEVUCLV-CQSZACIVSA-N 0 1 245.301 2.469 20 0 BEADMN CCCc1ccc(CN(CCC)CC(N)=O)cc1 ZINC000339708972 386527327 /nfs/dbraw/zinc/52/73/27/386527327.db2.gz HWNWXVPAIJVGTR-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN CCN(CC(=O)NC[C@H]1CCC[C@@H]1C)C1CC1 ZINC000339508674 386456432 /nfs/dbraw/zinc/45/64/32/386456432.db2.gz PXEKWTXHLJHKBY-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(CC(=O)NC[C@@H]1CCC[C@H]1C)C1CC1 ZINC000339508671 386456708 /nfs/dbraw/zinc/45/67/08/386456708.db2.gz PXEKWTXHLJHKBY-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCCn1c(C)nnc1CNC1(C(C)C)CC1 ZINC000339510668 386457516 /nfs/dbraw/zinc/45/75/16/386457516.db2.gz AMSWZJDRXQDHRX-UHFFFAOYSA-N 0 1 236.363 2.275 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCN1C)c1ccccc1 ZINC000299496974 386459318 /nfs/dbraw/zinc/45/93/18/386459318.db2.gz HCGZATJSXKJORH-ZIAGYGMSSA-N 0 1 246.354 2.348 20 0 BEADMN Cc1ccc(CNCc2ccnc(C)c2)cn1 ZINC000391173099 386464368 /nfs/dbraw/zinc/46/43/68/386464368.db2.gz IDGYPCJOBZRKIY-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1[nH]ncc1CN1CC2CC1(C(F)(F)F)C2 ZINC000335412807 386577632 /nfs/dbraw/zinc/57/76/32/386577632.db2.gz MIPJWVRTRVONQJ-UHFFFAOYSA-N 0 1 245.248 2.245 20 0 BEADMN FC(F)(F)C[C@H]1CCN(Cc2ccno2)C1 ZINC000278752586 386579139 /nfs/dbraw/zinc/57/91/39/386579139.db2.gz MGBGYXKEVPJSIE-MRVPVSSYSA-N 0 1 234.221 2.449 20 0 BEADMN C[C@@H](NCC(F)(F)CN)C1CCCCC1 ZINC000414922199 386585521 /nfs/dbraw/zinc/58/55/21/386585521.db2.gz CHKZVSOERLMECJ-SECBINFHSA-N 0 1 220.307 2.139 20 0 BEADMN Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)nn1C ZINC000414459878 386589232 /nfs/dbraw/zinc/58/92/32/386589232.db2.gz CAKJJMVYHUXJLP-HUUCEWRRSA-N 0 1 245.370 2.349 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450647961 386589904 /nfs/dbraw/zinc/58/99/04/386589904.db2.gz UOOJNMNOUHRZMO-SMDDNHRTSA-N 0 1 248.374 2.451 20 0 BEADMN c1n[nH]cc1CN1CC[C@H](Oc2ccccc2)C1 ZINC000648050870 386592860 /nfs/dbraw/zinc/59/28/60/386592860.db2.gz YCYDLIWKVARAIO-AWEZNQCLSA-N 0 1 243.310 2.063 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3cccnc3)C2)no1 ZINC000335422478 386596248 /nfs/dbraw/zinc/59/62/48/386596248.db2.gz WFTUSMBQUYASMN-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CC(C)[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000335454566 386531900 /nfs/dbraw/zinc/53/19/00/386531900.db2.gz SXXYXSVNSPLUQX-NWDGAFQWSA-N 0 1 236.363 2.244 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000062936206 386532331 /nfs/dbraw/zinc/53/23/31/386532331.db2.gz CVXCKIYXSRZMIS-CQSZACIVSA-N 0 1 233.311 2.292 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)CC(C)C)cc1 ZINC000228079953 386538188 /nfs/dbraw/zinc/53/81/88/386538188.db2.gz XBWBLLDLRQQKPH-ZDUSSCGKSA-N 0 1 234.343 2.109 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCCC[C@@H]2C)cc1 ZINC000228075670 386539112 /nfs/dbraw/zinc/53/91/12/386539112.db2.gz NJXPROADJLVUSA-JSGCOSHPSA-N 0 1 246.354 2.396 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@]23C[C@@H]2CCC3)c1 ZINC000643340818 386539782 /nfs/dbraw/zinc/53/97/82/386539782.db2.gz CERHJZLFCBKFOO-HZMBPMFUSA-N 0 1 245.326 2.276 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000228088471 386541735 /nfs/dbraw/zinc/54/17/35/386541735.db2.gz UIBVWJJJZIDNBH-SCRDCRAPSA-N 0 1 246.354 2.109 20 0 BEADMN CC[C@H](NCCF)c1ccc(C(=O)OC)cc1 ZINC000340379649 386546577 /nfs/dbraw/zinc/54/65/77/386546577.db2.gz PKDWUKDTMXIKEB-LBPRGKRZSA-N 0 1 239.290 2.483 20 0 BEADMN CO[C@H](C)[C@@H](C)Nc1ccnc(C)c1Cl ZINC000336756175 386556505 /nfs/dbraw/zinc/55/65/05/386556505.db2.gz IOGSMGGYKXLTPZ-VXNVDRBHSA-N 0 1 228.723 2.301 20 0 BEADMN Cc1cnc(CCN2C[C@H](C)OC[C@H]2C)c(C)c1 ZINC000335407951 386569578 /nfs/dbraw/zinc/56/95/78/386569578.db2.gz KGJKAVUJTPPYFI-KGLIPLIRSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)c2ccccc2F)n[nH]1 ZINC000267667288 386572214 /nfs/dbraw/zinc/57/22/14/386572214.db2.gz UUCVVIAZQYAOEP-VIFPVBQESA-N 0 1 248.305 2.445 20 0 BEADMN Cc1ccoc1CNCc1cnccc1N(C)C ZINC000291718280 386572594 /nfs/dbraw/zinc/57/25/94/386572594.db2.gz MFCLXQXHZXYVHM-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN C1=C[C@H](N2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000335411011 386573821 /nfs/dbraw/zinc/57/38/21/386573821.db2.gz VXHDUEDPKKEAIR-STQMWFEESA-N 0 1 239.384 2.303 20 0 BEADMN CC(C)(NCC1OCCO1)c1ccccc1F ZINC000292108432 386621173 /nfs/dbraw/zinc/62/11/73/386621173.db2.gz ISHUBYDSPJJQIY-UHFFFAOYSA-N 0 1 239.290 2.023 20 0 BEADMN Cc1nc(CN(C)c2cc(C)ccc2C)n[nH]1 ZINC000292124892 386623154 /nfs/dbraw/zinc/62/31/54/386623154.db2.gz FWDISFMLQXGGMF-UHFFFAOYSA-N 0 1 230.315 2.366 20 0 BEADMN CC(C)C[C@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000268149036 386625832 /nfs/dbraw/zinc/62/58/32/386625832.db2.gz FSRQSSJPZXAPIZ-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268173134 386629467 /nfs/dbraw/zinc/62/94/67/386629467.db2.gz TXNHOYNPBWGBSD-WDEREUQCSA-N 0 1 249.358 2.333 20 0 BEADMN CN(CCC(C)(C)O)Cc1cc(Cl)cn1C ZINC000268231822 386631811 /nfs/dbraw/zinc/63/18/11/386631811.db2.gz YTFFXRQNPNAUGQ-UHFFFAOYSA-N 0 1 244.766 2.271 20 0 BEADMN CSCCC[N@@H+](C)Cc1cccn1C ZINC000268452584 386655822 /nfs/dbraw/zinc/65/58/22/386655822.db2.gz JAGYCPNNJDZCMW-UHFFFAOYSA-N 0 1 212.362 2.210 20 0 BEADMN c1nc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c[nH]1 ZINC000335503856 386634509 /nfs/dbraw/zinc/63/45/09/386634509.db2.gz PKKHQOHSXZTZDS-GFCCVEGCSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCC2(F)F)nn1C ZINC000414471420 386648608 /nfs/dbraw/zinc/64/86/08/386648608.db2.gz QWRSNNQQAPGRNN-JTQLQIEISA-N 0 1 243.301 2.254 20 0 BEADMN Cc1noc(CN2CC[C@H](C3CCCC3)C2)n1 ZINC000335512779 386649426 /nfs/dbraw/zinc/64/94/26/386649426.db2.gz VSELSESDAYNNFT-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](F)C2)c1C ZINC000335518750 386654672 /nfs/dbraw/zinc/65/46/72/386654672.db2.gz FWHWVFAZTVNQQM-VHSXEESVSA-N 0 1 239.294 2.037 20 0 BEADMN COC[C@H](N[C@@H](C)c1ccco1)[C@@H]1CCCO1 ZINC000278892058 386603686 /nfs/dbraw/zinc/60/36/86/386603686.db2.gz UCJOFDRPAMJIFV-GVXVVHGQSA-N 0 1 239.315 2.124 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2cc(F)ccc2C1 ZINC000263582400 386605057 /nfs/dbraw/zinc/60/50/57/386605057.db2.gz YPCKGKZNJILFTF-LBPRGKRZSA-N 0 1 237.274 2.047 20 0 BEADMN Cc1ccc(CN(C)Cc2n[nH]c(C(C)C)n2)o1 ZINC000292001975 386608428 /nfs/dbraw/zinc/60/84/28/386608428.db2.gz BVVMPPDYPROYMV-UHFFFAOYSA-N 0 1 248.330 2.462 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000097850386 386665811 /nfs/dbraw/zinc/66/58/11/386665811.db2.gz BDIXVVLPCLUMBH-LBPRGKRZSA-N 0 1 237.274 2.183 20 0 BEADMN CCCCN(CCOC)Cc1cc(C)ncn1 ZINC000292418789 386667366 /nfs/dbraw/zinc/66/73/66/386667366.db2.gz KTKOWVKHKZOXTO-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN CC1=C[C@@H](C)C[N@H+](Cc2ncccc2[O-])C1 ZINC000520460058 386682353 /nfs/dbraw/zinc/68/23/53/386682353.db2.gz VLAKWYYUYZWJFI-SNVBAGLBSA-N 0 1 218.300 2.185 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2ncccc2[O-])C1 ZINC000520460058 386682359 /nfs/dbraw/zinc/68/23/59/386682359.db2.gz VLAKWYYUYZWJFI-SNVBAGLBSA-N 0 1 218.300 2.185 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000520426553 386671341 /nfs/dbraw/zinc/67/13/41/386671341.db2.gz LRXYUYZMSNQBDT-TUAOUCFPSA-N 0 1 249.358 2.093 20 0 BEADMN CC(=O)[C@H](C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000292457991 386672863 /nfs/dbraw/zinc/67/28/63/386672863.db2.gz ORAKDXKALMPPAV-QMMMGPOBSA-N 0 1 241.360 2.313 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@H](N)c1ccccc1 ZINC000050405069 386674960 /nfs/dbraw/zinc/67/49/60/386674960.db2.gz UPEKOTGIULWOOF-QWHCGFSZSA-N 0 1 234.343 2.381 20 0 BEADMN CC[C@@H](C)N(CCCOC(C)C)CC(=O)OC ZINC000337247500 386676687 /nfs/dbraw/zinc/67/66/87/386676687.db2.gz PCAUDDFXWPPBCZ-GFCCVEGCSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cnc2c(c1)c(C)nn2C ZINC000292479087 386678307 /nfs/dbraw/zinc/67/83/07/386678307.db2.gz RXXRKQGMZXPHLR-LBPRGKRZSA-N 0 1 244.342 2.261 20 0 BEADMN Cc1cccc(CNC2(C(=O)N(C)C)CC2)c1C ZINC000414480226 386679258 /nfs/dbraw/zinc/67/92/58/386679258.db2.gz BYNXLGRZKUASJV-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cocn2)CC1 ZINC000279625168 386708917 /nfs/dbraw/zinc/70/89/17/386708917.db2.gz AATFRIPMDAZJLQ-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN C[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ncn(C)n1 ZINC000391960815 386709490 /nfs/dbraw/zinc/70/94/90/386709490.db2.gz ZCEQMHBHMMTABY-WHOHXGKFSA-N 0 1 236.363 2.290 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC1CCCCC1 ZINC000279618005 386710182 /nfs/dbraw/zinc/71/01/82/386710182.db2.gz JSFWMOVLRWHJKT-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN Cc1nc(CN2C[C@@H](C)[C@@H]2c2ccccc2)n[nH]1 ZINC000292514651 386683447 /nfs/dbraw/zinc/68/34/47/386683447.db2.gz NPYBTGXYXVWEBH-QMTHXVAHSA-N 0 1 242.326 2.306 20 0 BEADMN Cc1cccc(C)c1NC(=O)N1CCN[C@@H](C)C1 ZINC000335468968 386686818 /nfs/dbraw/zinc/68/68/18/386686818.db2.gz XAROPSQPXPLRID-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN CO[C@H](C)c1nc(-c2ccn3cncc3c2)no1 ZINC000279472936 386688425 /nfs/dbraw/zinc/68/84/25/386688425.db2.gz GJGONQUKLWQJNJ-MRVPVSSYSA-N 0 1 244.254 2.092 20 0 BEADMN Cc1cc(CNC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000645439218 386694680 /nfs/dbraw/zinc/69/46/80/386694680.db2.gz YVQPXFKVKACJBV-UHFFFAOYSA-N 0 1 237.347 2.407 20 0 BEADMN COC(=O)c1ccc2c(c1)C[N@H+](CC1CC1)CC2 ZINC000357030338 386696039 /nfs/dbraw/zinc/69/60/39/386696039.db2.gz YDGXQJNEMOGNOT-UHFFFAOYSA-N 0 1 245.322 2.241 20 0 BEADMN Cc1nnsc1CN1CCC[C@H](C)C1 ZINC000647956938 386698344 /nfs/dbraw/zinc/69/83/44/386698344.db2.gz UGVYGRKBHFKNFM-QMMMGPOBSA-N 0 1 211.334 2.078 20 0 BEADMN CC(C)CCOCCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000357033106 386698323 /nfs/dbraw/zinc/69/83/23/386698323.db2.gz DVFSBWYGRICAQI-KGLIPLIRSA-N 0 1 242.407 2.074 20 0 BEADMN CN(Cc1ccco1)Cc1n[nH]c(C(C)(C)C)n1 ZINC000292617936 386701023 /nfs/dbraw/zinc/70/10/23/386701023.db2.gz MOOZPLHONGCBEC-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC(C)(C)CC1 ZINC000520604622 386703244 /nfs/dbraw/zinc/70/32/44/386703244.db2.gz WESCPLKBCVBIJN-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000643394962 386705635 /nfs/dbraw/zinc/70/56/35/386705635.db2.gz YXGHTKKNSDCFKT-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN Cc1ccc2ccccc2c1CN(C)CC(N)=O ZINC000268843727 386705813 /nfs/dbraw/zinc/70/58/13/386705813.db2.gz ANBJKEPFOWCYLC-UHFFFAOYSA-N 0 1 242.322 2.065 20 0 BEADMN CC[C@H](F)CN[C@@H](C)c1cnn(C)c1C ZINC000336760242 386706002 /nfs/dbraw/zinc/70/60/02/386706002.db2.gz LPTZDTSYGGJALI-WPRPVWTQSA-N 0 1 213.300 2.127 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268861416 386708542 /nfs/dbraw/zinc/70/85/42/386708542.db2.gz JQOUDNUGGYGWMX-NWDGAFQWSA-N 0 1 247.342 2.156 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000268978923 386732310 /nfs/dbraw/zinc/73/23/10/386732310.db2.gz IJXHLAQCEHCOQG-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)[nH]1 ZINC000335533668 386735222 /nfs/dbraw/zinc/73/52/22/386735222.db2.gz GAHZUVIKEFZIEP-WDEREUQCSA-N 0 1 248.330 2.268 20 0 BEADMN O=C(CCC1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000269025743 386738351 /nfs/dbraw/zinc/73/83/51/386738351.db2.gz VUYRPSHYNALFKO-LLVKDONJSA-N 0 1 233.315 2.094 20 0 BEADMN CC[C@H]1CCC[C@@H](NCC(F)(F)CN)C1 ZINC000414928127 386716676 /nfs/dbraw/zinc/71/66/76/386716676.db2.gz LWNJRKUAFQMRIK-VHSXEESVSA-N 0 1 220.307 2.139 20 0 BEADMN Cc1ccoc1CN(C)CC1=CCCOC1 ZINC000292747610 386718135 /nfs/dbraw/zinc/71/81/35/386718135.db2.gz IBBQZJIDCHXIQH-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN CCc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000263575375 386721002 /nfs/dbraw/zinc/72/10/02/386721002.db2.gz OXYJKTPYYXPZMB-SNVBAGLBSA-N 0 1 221.300 2.154 20 0 BEADMN CC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000268944320 386723937 /nfs/dbraw/zinc/72/39/37/386723937.db2.gz HGNRYRCZSSYSTA-LLVKDONJSA-N 0 1 247.342 2.484 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC(C)(C)CC ZINC000192225006 386745462 /nfs/dbraw/zinc/74/54/62/386745462.db2.gz FMIRNCAWYQGAJR-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCOC(=O)C[C@@H](C)CNc1cc(C)ccn1 ZINC000192162023 386746201 /nfs/dbraw/zinc/74/62/01/386746201.db2.gz CWHXTUNIZADSED-LLVKDONJSA-N 0 1 236.315 2.391 20 0 BEADMN Cc1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)on1 ZINC000348523422 386747668 /nfs/dbraw/zinc/74/76/68/386747668.db2.gz DRGXGKTYUDCAPE-ZJUUUORDSA-N 0 1 246.257 2.233 20 0 BEADMN CN(CCCNCc1cocn1)c1ccccc1 ZINC000192280183 386748724 /nfs/dbraw/zinc/74/87/24/386748724.db2.gz AAFALKBNYAADRI-UHFFFAOYSA-N 0 1 245.326 2.291 20 0 BEADMN C[C@H]1C[C@H](NCc2ccn(C(F)F)n2)CS1 ZINC000414498756 386749200 /nfs/dbraw/zinc/74/92/00/386749200.db2.gz NKQFUGVORLQJBS-CBAPKCEASA-N 0 1 247.314 2.262 20 0 BEADMN C[C@H](NCc1cccs1)c1ccnn1C ZINC000192246733 386749194 /nfs/dbraw/zinc/74/91/94/386749194.db2.gz YMSHZQYEOMSHQU-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1nnc(CN2CC[C@@H](C(C)(C)C)C2)o1 ZINC000334151531 386750163 /nfs/dbraw/zinc/75/01/63/386750163.db2.gz RGORLLQZIGGOAS-SNVBAGLBSA-N 0 1 223.320 2.246 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000279903287 386755362 /nfs/dbraw/zinc/75/53/62/386755362.db2.gz MTHDCBIQMLRDBI-CMPLNLGQSA-N 0 1 235.331 2.037 20 0 BEADMN COc1cc(C)nc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000292996832 386760343 /nfs/dbraw/zinc/76/03/43/386760343.db2.gz MTKIGZPCPIVRKJ-MWLCHTKSSA-N 0 1 220.316 2.239 20 0 BEADMN CS[C@H]1CCC[C@H](NCc2cocn2)C1 ZINC000192315289 386761926 /nfs/dbraw/zinc/76/19/26/386761926.db2.gz DHPIRJCFGGDDBS-ONGXEEELSA-N 0 1 226.345 2.438 20 0 BEADMN COc1cc(C)nc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000292996836 386762138 /nfs/dbraw/zinc/76/21/38/386762138.db2.gz MTKIGZPCPIVRKJ-ONGXEEELSA-N 0 1 220.316 2.239 20 0 BEADMN c1nc(CN[C@H]2CCOC3(CCCC3)C2)co1 ZINC000192327044 386764017 /nfs/dbraw/zinc/76/40/17/386764017.db2.gz HXRCMODJZLYOCM-NSHDSACASA-N 0 1 236.315 2.256 20 0 BEADMN c1nc(CNCC2(C3CC3)CCC2)co1 ZINC000192335619 386764567 /nfs/dbraw/zinc/76/45/67/386764567.db2.gz YGQJIXKZKQSEQO-UHFFFAOYSA-N 0 1 206.289 2.345 20 0 BEADMN CC(C)[C@H](O)CN(C)Cc1nc2ccccc2o1 ZINC000293003994 386765310 /nfs/dbraw/zinc/76/53/10/386765310.db2.gz TTYKKPFHILZLAD-GFCCVEGCSA-N 0 1 248.326 2.277 20 0 BEADMN CC(C)[C@@H]1OCCC[C@H]1CNCc1cocn1 ZINC000192323017 386765850 /nfs/dbraw/zinc/76/58/50/386765850.db2.gz HNXMMFQXPVMUEH-AAEUAGOBSA-N 0 1 238.331 2.215 20 0 BEADMN NCC(F)(F)CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000414929880 386741859 /nfs/dbraw/zinc/74/18/59/386741859.db2.gz OHSJSGWKDKXUOI-WDEREUQCSA-N 0 1 232.318 2.139 20 0 BEADMN CC[C@H]1CCN1Cc1cnn(C(C)C)c1 ZINC000292888439 386741937 /nfs/dbraw/zinc/74/19/37/386741937.db2.gz YPKGPNCFEFFRLA-LBPRGKRZSA-N 0 1 207.321 2.448 20 0 BEADMN C[C@H]1C[C@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414508125 386795308 /nfs/dbraw/zinc/79/53/08/386795308.db2.gz QELYUFXVHRAMHO-YUMQZZPRSA-N 0 1 245.248 2.241 20 0 BEADMN Cc1cnccc1CN1CC2(C1)CCCOC2 ZINC000334637004 386771712 /nfs/dbraw/zinc/77/17/12/386771712.db2.gz IKFOANWQZKIAFS-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CCC[C@@H](C)CCCN1CC(=O)N(C)C[C@@H]1C ZINC001645338570 1172655464 /nfs/dbraw/zinc/65/54/64/1172655464.db2.gz RNNGUSIMWKSAEI-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CO[C@@H](C)CNCc1c(F)cccc1F ZINC000191203680 386774196 /nfs/dbraw/zinc/77/41/96/386774196.db2.gz ULRNXCHAVFQJIY-QMMMGPOBSA-N 0 1 215.243 2.089 20 0 BEADMN C[C@@H]1C[C@H]1CNCc1nccc(C(F)(F)F)n1 ZINC000414508124 386796220 /nfs/dbraw/zinc/79/62/20/386796220.db2.gz QELYUFXVHRAMHO-SFYZADRCSA-N 0 1 245.248 2.241 20 0 BEADMN CSCCONC(=O)[C@@H](C)c1cccs1 ZINC000280058837 386775291 /nfs/dbraw/zinc/77/52/91/386775291.db2.gz QOSLPXZMTDHNAT-QMMMGPOBSA-N 0 1 245.369 2.262 20 0 BEADMN CO[C@@H](C)CCNCc1ncc(Cl)s1 ZINC000336667307 386781397 /nfs/dbraw/zinc/78/13/97/386781397.db2.gz WFHJRAOCBZFWDM-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccs1 ZINC000280470374 386816839 /nfs/dbraw/zinc/81/68/39/386816839.db2.gz MWXPMVJRWHPTKC-UHFFFAOYSA-N 0 1 207.302 2.103 20 0 BEADMN C[C@H](NC(=O)CN1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000293452638 386817966 /nfs/dbraw/zinc/81/79/66/386817966.db2.gz POJJNZQYZFNUDH-AVGNSLFASA-N 0 1 246.354 2.204 20 0 BEADMN CC[C@H]1CCN(CC(=O)OCC(C)C)[C@@H]1C ZINC001645351273 1172655366 /nfs/dbraw/zinc/65/53/66/1172655366.db2.gz GTWAJKPCRMTQQD-NEPJUHHUSA-N 0 1 227.348 2.306 20 0 BEADMN CCC1(C)CCN(Cc2cncnc2OC)CC1 ZINC000648005048 386820761 /nfs/dbraw/zinc/82/07/61/386820761.db2.gz OSUVEPLNUQLKDC-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN CSCCCN[C@H](C)c1nnc(C)s1 ZINC000336672122 386823707 /nfs/dbraw/zinc/82/37/07/386823707.db2.gz ZQJYZOWPDYMWJR-SSDOTTSWSA-N 0 1 231.390 2.250 20 0 BEADMN CC[C@]1(C)COCCN1CCc1cccnc1 ZINC000340885796 386797749 /nfs/dbraw/zinc/79/77/49/386797749.db2.gz QMJBLTWYXZFJNA-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN O=C(NCC1=CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000452290597 386797938 /nfs/dbraw/zinc/79/79/38/386797938.db2.gz IRCBTTHLOBMHSM-AWEZNQCLSA-N 0 1 248.370 2.230 20 0 BEADMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCC(C)(C)C ZINC000113256918 386798410 /nfs/dbraw/zinc/79/84/10/386798410.db2.gz XBACTTRBGPAFIO-QWRGUYRKSA-N 0 1 249.420 2.176 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H]2CCO)o1 ZINC000330588631 386802665 /nfs/dbraw/zinc/80/26/65/386802665.db2.gz WCVXNENIXCEMIM-QJPTWQEYSA-N 0 1 238.331 2.185 20 0 BEADMN CN(CCC1CCCC1)Cc1cc[nH]n1 ZINC000357561950 386807732 /nfs/dbraw/zinc/80/77/32/386807732.db2.gz FARLZSTZHYHQJB-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CCCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000341040307 386825973 /nfs/dbraw/zinc/82/59/73/386825973.db2.gz XQSOSIBOAGPAAH-UHFFFAOYSA-N 0 1 235.262 2.232 20 0 BEADMN COC(=O)c1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000293488494 386826403 /nfs/dbraw/zinc/82/64/03/386826403.db2.gz SOPZVDAXMRXTKW-WDEREUQCSA-N 0 1 233.311 2.313 20 0 BEADMN Cc1nocc1CNCc1ccc([C@H](C)O)cc1 ZINC000293509683 386830208 /nfs/dbraw/zinc/83/02/08/386830208.db2.gz HXODNHUHYWBUCT-NSHDSACASA-N 0 1 246.310 2.326 20 0 BEADMN CCOc1cccc(CN2CC[C@H]2COC)c1 ZINC000293518935 386830368 /nfs/dbraw/zinc/83/03/68/386830368.db2.gz AXEKBLVGQLDVBA-ZDUSSCGKSA-N 0 1 235.327 2.306 20 0 BEADMN COC(=O)c1ccccc1CN1C[C@@H](C)[C@H]1C ZINC000293535575 386831720 /nfs/dbraw/zinc/83/17/20/386831720.db2.gz XKZMEUHOTGLNFH-GHMZBOCLSA-N 0 1 233.311 2.313 20 0 BEADMN CC[C@H](O)CN1CCC[C@H]1c1csc(C)n1 ZINC000249443290 386833566 /nfs/dbraw/zinc/83/35/66/386833566.db2.gz KMPHANQECOBVDW-JQWIXIFHSA-N 0 1 240.372 2.359 20 0 BEADMN Cc1[nH]ncc1CN=c1[nH]c2cccc(C)c2o1 ZINC000357717709 386834247 /nfs/dbraw/zinc/83/42/47/386834247.db2.gz RPCOPNHXMIUUDN-UHFFFAOYSA-N 0 1 242.282 2.202 20 0 BEADMN C[C@H](Cc1ccccc1)CN1CCO[C@H]2C[C@H]21 ZINC000366556332 386834772 /nfs/dbraw/zinc/83/47/72/386834772.db2.gz GSADMGXUMFNONM-YUELXQCFSA-N 0 1 231.339 2.338 20 0 BEADMN CC[C@H](Nc1ccnc(C)c1Cl)[C@H](C)O ZINC000395445167 386836607 /nfs/dbraw/zinc/83/66/07/386836607.db2.gz WUCDXLJXNZBQGJ-IUCAKERBSA-N 0 1 228.723 2.037 20 0 BEADMN Cc1c[nH]nc1CN1CC(C(C)(C)C)C1 ZINC000334781487 386838130 /nfs/dbraw/zinc/83/81/30/386838130.db2.gz CKHCNUXKVZPEQX-UHFFFAOYSA-N 0 1 207.321 2.196 20 0 BEADMN COC[C@@H]1CC[N@H+]1C/C=C/c1ccccc1OC ZINC000293562462 386840144 /nfs/dbraw/zinc/84/01/44/386840144.db2.gz GDAWNKWHHZXPRV-DYLGSBMWSA-N 0 1 247.338 2.429 20 0 BEADMN COC[C@@H]1CCN1C/C=C/c1ccccc1OC ZINC000293562462 386840152 /nfs/dbraw/zinc/84/01/52/386840152.db2.gz GDAWNKWHHZXPRV-DYLGSBMWSA-N 0 1 247.338 2.429 20 0 BEADMN CC(C)[C@](C)(CO)NCc1ncc(C2CC2)o1 ZINC000352880236 386841373 /nfs/dbraw/zinc/84/13/73/386841373.db2.gz HENLURMWUZIYST-ZDUSSCGKSA-N 0 1 238.331 2.049 20 0 BEADMN CCC(C)(C)N(C)Cc1cncnc1OC ZINC000648008014 386845710 /nfs/dbraw/zinc/84/57/10/386845710.db2.gz MQUHPSNDVHAPHB-UHFFFAOYSA-N 0 1 223.320 2.106 20 0 BEADMN CC[C@H]1[C@@H](CO)CCN1Cc1csc(C)n1 ZINC000395084921 386848793 /nfs/dbraw/zinc/84/87/93/386848793.db2.gz CBYBADHUKPNNQZ-PWSUYJOCSA-N 0 1 240.372 2.044 20 0 BEADMN CCC1CN(Cc2ccc3c(n2)CCC3)C1 ZINC000334788271 386850756 /nfs/dbraw/zinc/85/07/56/386850756.db2.gz VEXUVGWWEPATEV-UHFFFAOYSA-N 0 1 216.328 2.412 20 0 BEADMN COc1ccccc1/C=C\CN1CCC(O)CC1 ZINC000349612843 386891819 /nfs/dbraw/zinc/89/18/19/386891819.db2.gz FVPFJYDHPQQASY-XQRVVYSFSA-N 0 1 247.338 2.165 20 0 BEADMN COc1cc(CN2CC3(C2)CCOC3)ccc1C ZINC000293870622 386893577 /nfs/dbraw/zinc/89/35/77/386893577.db2.gz COENSYVMQWLUEV-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CC[C@H]1CCN(Cc2ncc(C)cn2)[C@H]1C ZINC001645351332 1172656629 /nfs/dbraw/zinc/65/66/29/1172656629.db2.gz HXNYBZXHFXSVOR-RYUDHWBXSA-N 0 1 219.332 2.405 20 0 BEADMN CC[C@]1(O)CCN(Cc2nc(C)sc2C)C1 ZINC000334790792 386855369 /nfs/dbraw/zinc/85/53/69/386855369.db2.gz QMHHFPCYSSPDFL-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN Cn1ncnc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000334790648 386856615 /nfs/dbraw/zinc/85/66/15/386856615.db2.gz JSPGUZIXXDPLEJ-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN CCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000334791935 386857704 /nfs/dbraw/zinc/85/77/04/386857704.db2.gz FTPQYHFZSGTTIM-UHFFFAOYSA-N 0 1 247.342 2.306 20 0 BEADMN CCC(=O)N1CCN(CC2CCCCCC2)C1 ZINC000425347439 386859884 /nfs/dbraw/zinc/85/98/84/386859884.db2.gz KWIPYLKNPQBVLN-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCC(=O)N1CCN(C[C@H]2CCCC[C@@H]2C)C1 ZINC000425346938 386859965 /nfs/dbraw/zinc/85/99/65/386859965.db2.gz JYCMPHLCZJAZOJ-QWHCGFSZSA-N 0 1 238.375 2.324 20 0 BEADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCCCC1 ZINC000335745272 386865472 /nfs/dbraw/zinc/86/54/72/386865472.db2.gz IBZRFTKSSSHGAR-UHFFFAOYSA-N 0 1 247.220 2.055 20 0 BEADMN Cc1nnc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1 ZINC000335749221 386872448 /nfs/dbraw/zinc/87/24/48/386872448.db2.gz CZNNYVBSJFVJMJ-WDEREUQCSA-N 0 1 234.347 2.124 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1 ZINC000335749221 386872456 /nfs/dbraw/zinc/87/24/56/386872456.db2.gz CZNNYVBSJFVJMJ-WDEREUQCSA-N 0 1 234.347 2.124 20 0 BEADMN CCc1occc1-c1nc(C2(N)CCC2)no1 ZINC000334837322 386878449 /nfs/dbraw/zinc/87/84/49/386878449.db2.gz KVNBOGYPPFZXCA-UHFFFAOYSA-N 0 1 233.271 2.230 20 0 BEADMN Cc1cnc(CN2CCC[C@]2(C)CCCO)o1 ZINC000352885669 386879101 /nfs/dbraw/zinc/87/91/01/386879101.db2.gz OSOOAIGBHDWJCI-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN CCOC[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000358013267 386879327 /nfs/dbraw/zinc/87/93/27/386879327.db2.gz ADUTYIGSSPCKNC-BXKDBHETSA-N 0 1 239.290 2.274 20 0 BEADMN CC1=CCCN([C@H](C)C(=O)N2CCCCC2)C1 ZINC000335754067 386881136 /nfs/dbraw/zinc/88/11/36/386881136.db2.gz LUZWDFYXTGOYPN-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CCN(CC(=O)NC[C@@H]1CC[C@H](C)C1)C1CC1 ZINC000358046563 386883590 /nfs/dbraw/zinc/88/35/90/386883590.db2.gz VJNUBKRZGKPCTP-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccnc(N(C)C)n1 ZINC000358070689 386888329 /nfs/dbraw/zinc/88/83/29/386888329.db2.gz GMNOECJEEUKDBD-LLVKDONJSA-N 0 1 236.363 2.021 20 0 BEADMN Cc1cnc(CN[C@@H]2CCCC(F)(F)C2)n1C ZINC000341371348 386895518 /nfs/dbraw/zinc/89/55/18/386895518.db2.gz ZZNUJWMARAFDQR-SNVBAGLBSA-N 0 1 243.301 2.396 20 0 BEADMN CC(C)[C@@H](Sc1nc(C2CC2)n[nH]1)C(N)=O ZINC000331767080 386897673 /nfs/dbraw/zinc/89/76/73/386897673.db2.gz IVKHGFPTNZAFBR-SSDOTTSWSA-N 0 1 240.332 2.334 20 0 BEADMN CC(C)[C@@H](Sc1n[nH]c(C2CC2)n1)C(N)=O ZINC000331767080 386897676 /nfs/dbraw/zinc/89/76/76/386897676.db2.gz IVKHGFPTNZAFBR-SSDOTTSWSA-N 0 1 240.332 2.334 20 0 BEADMN CC(C)n1cccc1-c1nc(C2(N)CCC2)no1 ZINC000334851361 386900016 /nfs/dbraw/zinc/90/00/16/386900016.db2.gz AXLYMZAMGGRXBO-UHFFFAOYSA-N 0 1 246.314 2.457 20 0 BEADMN CC[C@H]1CCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000293912530 386900391 /nfs/dbraw/zinc/90/03/91/386900391.db2.gz GLXDXIQHRGMHBU-JTQLQIEISA-N 0 1 243.310 2.496 20 0 BEADMN CC(C)(c1nc(C2(N)CCC2)no1)C1CC1 ZINC000334852107 386902137 /nfs/dbraw/zinc/90/21/37/386902137.db2.gz HAQAYIKPOYFMBG-UHFFFAOYSA-N 0 1 221.304 2.095 20 0 BEADMN NC1(c2noc([C@@H]3CCCCS3)n2)CCC1 ZINC000334853616 386903876 /nfs/dbraw/zinc/90/38/76/386903876.db2.gz LXKFDZNVGDMFPE-QMMMGPOBSA-N 0 1 239.344 2.366 20 0 BEADMN CC1(C)CC(c2nc(C3(N)CCC3)no2)C1 ZINC000334854853 386907676 /nfs/dbraw/zinc/90/76/76/386907676.db2.gz UQUJYEFMLDVBCN-UHFFFAOYSA-N 0 1 221.304 2.311 20 0 BEADMN CCCC1(CNc2ccncc2C(N)=O)CC1 ZINC000302163623 386908967 /nfs/dbraw/zinc/90/89/67/386908967.db2.gz QOBNZXFADMSEQO-UHFFFAOYSA-N 0 1 233.315 2.173 20 0 BEADMN CC(C)C[C@H]1CCN(c2ccncc2C(N)=O)C1 ZINC000302161012 386909552 /nfs/dbraw/zinc/90/95/52/386909552.db2.gz PNVVUIBRVVCFQN-LLVKDONJSA-N 0 1 247.342 2.053 20 0 BEADMN CC(C)(c1nc(C2(N)CCCC2)no1)C(F)F ZINC000334861053 386913195 /nfs/dbraw/zinc/91/31/95/386913195.db2.gz BACNJMMGOLSISP-UHFFFAOYSA-N 0 1 245.273 2.340 20 0 BEADMN CC1(C)CC[C@H](N2CCn3cncc3C2)C1 ZINC000367945140 386921554 /nfs/dbraw/zinc/92/15/54/386921554.db2.gz UVMOKBKYTDXHKS-NSHDSACASA-N 0 1 219.332 2.277 20 0 BEADMN CC(C)CCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000330943272 386926662 /nfs/dbraw/zinc/92/66/62/386926662.db2.gz FKGWUDAHJAYKOC-UHFFFAOYSA-N 0 1 237.347 2.240 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)CC2CCCC2)CCN1C ZINC000334877762 386938260 /nfs/dbraw/zinc/93/82/60/386938260.db2.gz FICOZXYLUPADAS-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](N[C@@H](CO)CC(F)(F)F)c1cccnc1 ZINC000358360339 386941638 /nfs/dbraw/zinc/94/16/38/386941638.db2.gz ABDOFZUFHYCZBD-PSASIEDQSA-N 0 1 248.248 2.046 20 0 BEADMN Cc1cc(C)cc(CN2CC[C@@](F)(CO)C2)c1 ZINC000334816236 386943952 /nfs/dbraw/zinc/94/39/52/386943952.db2.gz ORFYVPHMDSWWDI-AWEZNQCLSA-N 0 1 237.318 2.210 20 0 BEADMN CC[C@@H](NC[C@@H](OC)C(C)C)c1nccn1C ZINC000341712389 386954113 /nfs/dbraw/zinc/95/41/13/386954113.db2.gz WZJZGTZBTAHWJP-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341766483 386964709 /nfs/dbraw/zinc/96/47/09/386964709.db2.gz BQPKQOKXQXAOLU-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(CC)C[C@H]1C ZINC000341766483 386964714 /nfs/dbraw/zinc/96/47/14/386964714.db2.gz BQPKQOKXQXAOLU-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN COc1ccnc(CNC[C@H](C)CC(C)C)n1 ZINC000425355801 386966488 /nfs/dbraw/zinc/96/64/88/386966488.db2.gz PJZKEVLIPOTORW-LLVKDONJSA-N 0 1 237.347 2.257 20 0 BEADMN Cn1cccc1CN1CC(CC(F)F)C1 ZINC000425363648 386973433 /nfs/dbraw/zinc/97/34/33/386973433.db2.gz CIWHQAZKECIDFB-UHFFFAOYSA-N 0 1 214.259 2.112 20 0 BEADMN Oc1cccc2c1C[C@H](NCc1nccs1)C2 ZINC000334901050 386974938 /nfs/dbraw/zinc/97/49/38/386974938.db2.gz XNKXESXYFYDQBN-SNVBAGLBSA-N 0 1 246.335 2.106 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CCC(C)(C)C ZINC000341883122 386985155 /nfs/dbraw/zinc/98/51/55/386985155.db2.gz ACKAUMBTQUSOAO-ZETOZRRWSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@H]1C[C@@H](c2nc(CC3CC3)no2)CC[N@H+]1C ZINC000334911398 386986234 /nfs/dbraw/zinc/98/62/34/386986234.db2.gz JPEZHHUQWZRCAH-ONGXEEELSA-N 0 1 235.331 2.220 20 0 BEADMN FC(F)OC[C@@H]1CCN(Cc2cccnc2)C1 ZINC000353004616 386987915 /nfs/dbraw/zinc/98/79/15/386987915.db2.gz AWBPPGVGDFQSCF-LLVKDONJSA-N 0 1 242.269 2.143 20 0 BEADMN Cc1ccc(C)c(CN(C)[C@H]2CCCNC2=O)c1 ZINC000334914996 386988987 /nfs/dbraw/zinc/98/89/87/386988987.db2.gz FYDYPLJBSVNBQU-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@@H]1CCOC1 ZINC000368585412 386989789 /nfs/dbraw/zinc/98/97/89/386989789.db2.gz QSVSRHWPCDDUFE-PLMOITTCSA-N 0 1 237.274 2.026 20 0 BEADMN Cc1nnc(CN(CC2CC2)CC2CC2)s1 ZINC000358619142 386990047 /nfs/dbraw/zinc/99/00/47/386990047.db2.gz YRRLFJXFVGSKSY-UHFFFAOYSA-N 0 1 237.372 2.469 20 0 BEADMN C[C@@H]1CCN(CC2CC(C)(C)C2)CC[S@@]1=O ZINC000528473487 386992828 /nfs/dbraw/zinc/99/28/28/386992828.db2.gz GVLZCVTUJYUXIC-BZNIZROVSA-N 0 1 243.416 2.266 20 0 BEADMN CC1=CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000334919372 386994949 /nfs/dbraw/zinc/99/49/49/386994949.db2.gz GUIJBTWIXADCRV-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN CCCCCC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358661314 386995700 /nfs/dbraw/zinc/99/57/00/386995700.db2.gz IAGAMYABDRMHKF-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CC(C)CC(C)(C)C(=O)NCc1cnc[nH]1 ZINC000331284608 386996329 /nfs/dbraw/zinc/99/63/29/386996329.db2.gz HHTJEPGKYDPERK-UHFFFAOYSA-N 0 1 223.320 2.098 20 0 BEADMN CCCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358661315 386996797 /nfs/dbraw/zinc/99/67/97/386996797.db2.gz IAGAMYABDRMHKF-TXEJJXNPSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](C)N1CCN(c2ncccc2F)CC1 ZINC000334926685 387001509 /nfs/dbraw/zinc/00/15/09/387001509.db2.gz IJGDAPJLQYGPIN-NSHDSACASA-N 0 1 237.322 2.141 20 0 BEADMN c1cc(CN2CCSC[C@@H]2C2CCC2)n[nH]1 ZINC000334953328 387031327 /nfs/dbraw/zinc/03/13/27/387031327.db2.gz UJYYXCBRQCZDDI-GFCCVEGCSA-N 0 1 237.372 2.127 20 0 BEADMN Cn1ccc(CN[C@@H]2COCc3ccccc32)c1 ZINC000334955332 387034462 /nfs/dbraw/zinc/03/44/62/387034462.db2.gz JWOPZNNOZTWKNQ-OAHLLOKOSA-N 0 1 242.322 2.386 20 0 BEADMN CO[C@H](CN1CCn2cccc2[C@H]1C)C1CC1 ZINC000425382903 387035013 /nfs/dbraw/zinc/03/50/13/387035013.db2.gz JKWRGPGJWCFOCV-BXUZGUMPSA-N 0 1 234.343 2.290 20 0 BEADMN CC[C@@H]1CCN1Cc1cncn1C(C)C ZINC000425384372 387036231 /nfs/dbraw/zinc/03/62/31/387036231.db2.gz QJGWIWHUJJRQET-LLVKDONJSA-N 0 1 207.321 2.448 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1nccs1 ZINC000191648380 387039247 /nfs/dbraw/zinc/03/92/47/387039247.db2.gz CUUYTYUKGPYOGO-YIZRAAEISA-N 0 1 214.334 2.217 20 0 BEADMN COc1nccnc1CN(C1CC1)C1CCCC1 ZINC000514652062 387039469 /nfs/dbraw/zinc/03/94/69/387039469.db2.gz MLGZPCWHWQUEFV-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1cc(C)cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 ZINC000070076525 387043752 /nfs/dbraw/zinc/04/37/52/387043752.db2.gz NASSCIIJZZBCQP-CHWSQXEVSA-N 0 1 246.354 2.126 20 0 BEADMN CCc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 ZINC000070076495 387044305 /nfs/dbraw/zinc/04/43/05/387044305.db2.gz GYPBFCGCYJGRGV-VXGBXAGGSA-N 0 1 246.354 2.071 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334967624 387051454 /nfs/dbraw/zinc/05/14/54/387051454.db2.gz PODAZKWQPLELKU-GHMZBOCLSA-N 0 1 215.312 2.114 20 0 BEADMN CC(=O)Nc1ccc(CN2CC[C@H](F)C2)cc1 ZINC000336222730 387061518 /nfs/dbraw/zinc/06/15/18/387061518.db2.gz FZKIYELEOZRORN-LBPRGKRZSA-N 0 1 236.290 2.189 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000336223305 387063597 /nfs/dbraw/zinc/06/35/97/387063597.db2.gz UKZUUZDXXLFSIO-LLVKDONJSA-N 0 1 219.263 2.107 20 0 BEADMN O=c1[nH]c2ccccc2cc1CN1CC[C@@H](F)C1 ZINC000336223173 387064270 /nfs/dbraw/zinc/06/42/70/387064270.db2.gz HURQHOOXKHJHHT-GFCCVEGCSA-N 0 1 246.285 2.484 20 0 BEADMN COC(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000359179515 387065222 /nfs/dbraw/zinc/06/52/22/387065222.db2.gz LPCRCBNSNNVZKU-AWEZNQCLSA-N 0 1 247.338 2.175 20 0 BEADMN Cc1ccc(C)c(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000334936192 387012199 /nfs/dbraw/zinc/01/21/99/387012199.db2.gz LOQOJKPJTCCOPD-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN Cn1nc2c(c1CN1CC(C3CC3)C1)CCCC2 ZINC000639196679 387013895 /nfs/dbraw/zinc/01/38/95/387013895.db2.gz PMFIAUPLPIQNQA-UHFFFAOYSA-N 0 1 245.370 2.141 20 0 BEADMN COc1cccnc1CN[C@H]1CC[C@H]1SC ZINC000425374879 387014980 /nfs/dbraw/zinc/01/49/80/387014980.db2.gz XYDKWTDSSSWVLY-JOYOIKCWSA-N 0 1 238.356 2.074 20 0 BEADMN CCc1ccccc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000527324634 387023186 /nfs/dbraw/zinc/02/31/86/387023186.db2.gz SECAMELZRXCFQZ-ZDUSSCGKSA-N 0 1 232.371 2.385 20 0 BEADMN C[C@@H](C(=O)Nc1ccccn1)N1CCCCCC1 ZINC000118758498 387070564 /nfs/dbraw/zinc/07/05/64/387070564.db2.gz PRPIEWURBVKGPB-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C ZINC000359217289 387070767 /nfs/dbraw/zinc/07/07/67/387070767.db2.gz KDNRSWBBOYPOPX-NSHDSACASA-N 0 1 242.269 2.244 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]2C(C)C)[nH]1 ZINC000359216908 387071000 /nfs/dbraw/zinc/07/10/00/387071000.db2.gz CDIXKIDPFBOURQ-GFCCVEGCSA-N 0 1 236.315 2.032 20 0 BEADMN Fc1cc(F)cc(CSc2cn[nH]n2)c1 ZINC000336234103 387071455 /nfs/dbraw/zinc/07/14/55/387071455.db2.gz UZIHDEMZEKHTEN-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CC(C)(C)C ZINC000359238795 387071768 /nfs/dbraw/zinc/07/17/68/387071768.db2.gz XELWKIQBGVTZRK-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@]1(C)CC ZINC000359241000 387073010 /nfs/dbraw/zinc/07/30/10/387073010.db2.gz ZJFUDKZQDVJOIV-MBNYWOFBSA-N 0 1 238.375 2.023 20 0 BEADMN COC[C@@H](C)N1CCC[C@@H]1c1nccs1 ZINC000369825950 387073128 /nfs/dbraw/zinc/07/31/28/387073128.db2.gz NHGYZAUVXGOLFE-NXEZZACHSA-N 0 1 226.345 2.315 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000019472194 387077859 /nfs/dbraw/zinc/07/78/59/387077859.db2.gz UZXBVHGKIYGAJQ-SMDDNHRTSA-N 0 1 246.354 2.006 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@]1(C)CCC[C@H]1C ZINC000336240483 387079988 /nfs/dbraw/zinc/07/99/88/387079988.db2.gz BYFVETIYWUJZNY-RNCFNFMXSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1occc1CN[C@H]1CCCc2c1cnn2C ZINC000321279208 387082994 /nfs/dbraw/zinc/08/29/94/387082994.db2.gz SMZDCOCVXRYJBP-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN CC(C)CCC[C@H](C)NC(=O)CN1CCCC1 ZINC000066405622 387083614 /nfs/dbraw/zinc/08/36/14/387083614.db2.gz GCOOCQFWXMGFHE-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(C)no2)CC1(C)C ZINC000336258417 387089040 /nfs/dbraw/zinc/08/90/40/387089040.db2.gz DEMNYIUVRUJUBQ-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@H]1CN(Cc2ncccn2)CC(C)(C)C1 ZINC000335003188 387096960 /nfs/dbraw/zinc/09/69/60/387096960.db2.gz NHGPCBRZYWNZDV-LLVKDONJSA-N 0 1 219.332 2.345 20 0 BEADMN CC(C)c1nc(CN2CCC[C@](C)(F)C2)n[nH]1 ZINC000336266969 387101147 /nfs/dbraw/zinc/10/11/47/387101147.db2.gz RQRLTOWDYWJLKF-LBPRGKRZSA-N 0 1 240.326 2.252 20 0 BEADMN Cc1cc(C)n(CCN2CCC[C@@](C)(F)C2)n1 ZINC000336270088 387104626 /nfs/dbraw/zinc/10/46/26/387104626.db2.gz JKBZPZBRNAWXBX-CYBMUJFWSA-N 0 1 239.338 2.324 20 0 BEADMN Cc1cc(CN(C)[C@H]2CC2(C)C)ncn1 ZINC000336276421 387108403 /nfs/dbraw/zinc/10/84/03/387108403.db2.gz XOFKIPXANNVUMK-NSHDSACASA-N 0 1 205.305 2.015 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1nc2ccccc2o1 ZINC000336276518 387108620 /nfs/dbraw/zinc/10/86/20/387108620.db2.gz QVGGACLMWLRDPY-LBPRGKRZSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCCc2cn[nH]c21)C1CCC1 ZINC000333956218 387109077 /nfs/dbraw/zinc/10/90/77/387109077.db2.gz GVUXUQRDXRHDOF-CABZTGNLSA-N 0 1 247.342 2.340 20 0 BEADMN O[C@@H]1CN(Cc2ccc(Cl)cc2)CC12CC2 ZINC000334948327 387111021 /nfs/dbraw/zinc/11/10/21/387111021.db2.gz JKEHXULYYJPWOJ-GFCCVEGCSA-N 0 1 237.730 2.297 20 0 BEADMN Cc1noc(CN(CC2CC2)C2CCC2)n1 ZINC000352364367 387112132 /nfs/dbraw/zinc/11/21/32/387112132.db2.gz CFEDJMZKRXUQSF-UHFFFAOYSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1nnc(CN(CC2CC2)C2CCC2)o1 ZINC000352365359 387112159 /nfs/dbraw/zinc/11/21/59/387112159.db2.gz QPFVKHUHEVSKOX-UHFFFAOYSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1nnc(CN2[C@H](C)CCC2(C)C)o1 ZINC000336303168 387132043 /nfs/dbraw/zinc/13/20/43/387132043.db2.gz UWFSWLBTXIEKAB-MRVPVSSYSA-N 0 1 209.293 2.141 20 0 BEADMN CC(C)c1occc1C(=O)NCc1cnc[nH]1 ZINC000359559613 387123194 /nfs/dbraw/zinc/12/31/94/387123194.db2.gz QEUVEIZYURIDHC-UHFFFAOYSA-N 0 1 233.271 2.056 20 0 BEADMN COCCN(CC[C@H](C)F)Cc1cccnc1 ZINC000352401259 387148673 /nfs/dbraw/zinc/14/86/73/387148673.db2.gz HQIGFHFILCXISX-LBPRGKRZSA-N 0 1 240.322 2.278 20 0 BEADMN CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@@H](C)[C@H]2C)nn1 ZINC000418125539 387149759 /nfs/dbraw/zinc/14/97/59/387149759.db2.gz NUZAHEDATQTASF-IJLUTSLNSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@@H](C)[C@H]2C)nn1 ZINC000418125539 387149764 /nfs/dbraw/zinc/14/97/64/387149764.db2.gz NUZAHEDATQTASF-IJLUTSLNSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@@H](C)[C@@H]2C)nn1 ZINC000418125540 387150327 /nfs/dbraw/zinc/15/03/27/387150327.db2.gz NUZAHEDATQTASF-UTUOFQBUSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@@H](C)[C@@H]2C)nn1 ZINC000418125540 387150330 /nfs/dbraw/zinc/15/03/30/387150330.db2.gz NUZAHEDATQTASF-UTUOFQBUSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(C[N@H+]2C[C@@H](C)[C@H](C)[C@H]2C)nn1 ZINC000418125538 387150845 /nfs/dbraw/zinc/15/08/45/387150845.db2.gz NUZAHEDATQTASF-GRYCIOLGSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)[C@H](C)[C@H]2C)nn1 ZINC000418125538 387150851 /nfs/dbraw/zinc/15/08/51/387150851.db2.gz NUZAHEDATQTASF-GRYCIOLGSA-N 0 1 236.363 2.335 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000393291127 387153046 /nfs/dbraw/zinc/15/30/46/387153046.db2.gz LWULEJWUEDUKES-WCABBAIRSA-N 0 1 239.750 2.352 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@H](C)C2)o1 ZINC000336326071 387153451 /nfs/dbraw/zinc/15/34/51/387153451.db2.gz FAQSKHXQLREQTF-DTWKUNHWSA-N 0 1 209.293 2.171 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@](C)(CC)C2)n[nH]1 ZINC000336326917 387153829 /nfs/dbraw/zinc/15/38/29/387153829.db2.gz NDCLOVWBEJXHLN-CYBMUJFWSA-N 0 1 235.331 2.234 20 0 BEADMN CC[C@H](F)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000571888845 387192881 /nfs/dbraw/zinc/19/28/81/387192881.db2.gz UJWFODKHDBTRES-RHYQMDGZSA-N 0 1 243.322 2.452 20 0 BEADMN Fc1ccc(SCc2c[nH]nn2)cc1 ZINC000336327851 387157264 /nfs/dbraw/zinc/15/72/64/387157264.db2.gz WJAMZFQFFRLFQE-UHFFFAOYSA-N 0 1 209.249 2.236 20 0 BEADMN CO[C@H](C)CN(C)Cc1cn2c(cccc2C)n1 ZINC000353206549 387157484 /nfs/dbraw/zinc/15/74/84/387157484.db2.gz WOJIMKJFZJAZPM-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN Cc1cn[nH]c1CN1CC(C)(CC(F)(F)F)C1 ZINC000459645530 387167444 /nfs/dbraw/zinc/16/74/44/387167444.db2.gz ZTHFSOQDKJSTLC-UHFFFAOYSA-N 0 1 247.264 2.492 20 0 BEADMN C[C@@H](F)CCN1CCc2ncsc2C1 ZINC000352412870 387168311 /nfs/dbraw/zinc/16/83/11/387168311.db2.gz JQFWTCCTBCRATP-MRVPVSSYSA-N 0 1 214.309 2.249 20 0 BEADMN CCCCN1CCOC[C@@H]1CC(F)F ZINC000353267372 387168762 /nfs/dbraw/zinc/16/87/62/387168762.db2.gz MOACDPCRYMMKGS-VIFPVBQESA-N 0 1 207.264 2.143 20 0 BEADMN FCCCCN1CCc2ncsc2C1 ZINC000352415063 387169012 /nfs/dbraw/zinc/16/90/12/387169012.db2.gz WDSHTQIHHBJZBY-UHFFFAOYSA-N 0 1 214.309 2.251 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1CC2(CC2)C1 ZINC000612014660 387172938 /nfs/dbraw/zinc/17/29/38/387172938.db2.gz BYBKUFUYKCLVAG-UHFFFAOYSA-N 0 1 242.282 2.087 20 0 BEADMN Cc1ccnc(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000336346095 387176354 /nfs/dbraw/zinc/17/63/54/387176354.db2.gz XJYHVAHQWCIXQH-RYUDHWBXSA-N 0 1 217.316 2.159 20 0 BEADMN CCC[C@H](C(=O)N1CCC[N@@H+](C)CC1)C(C)C ZINC000371242988 387180550 /nfs/dbraw/zinc/18/05/50/387180550.db2.gz RCZLZLXBWIDQAB-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CCC[C@H](C(=O)N1CCCN(C)CC1)C(C)C ZINC000371242988 387180557 /nfs/dbraw/zinc/18/05/57/387180557.db2.gz RCZLZLXBWIDQAB-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@@H](C)N(CC[C@@H](C)F)CC(=O)OC ZINC000352422753 387186375 /nfs/dbraw/zinc/18/63/75/387186375.db2.gz UWEWNRDJVULGTH-NXEZZACHSA-N 0 1 219.300 2.008 20 0 BEADMN Cc1c(CN2CCC(C(F)F)CC2)cnn1C ZINC000336312284 387139875 /nfs/dbraw/zinc/13/98/75/387139875.db2.gz JAXAIESDXWKLHH-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN C[C@@H](NCC(F)(F)CN)C1C(C)(C)C1(C)C ZINC000423350415 387202171 /nfs/dbraw/zinc/20/21/71/387202171.db2.gz ZJWJHHYSOTUYEX-MRVPVSSYSA-N 0 1 234.334 2.241 20 0 BEADMN C[C@H](NCc1cccc(F)c1)c1cn[nH]c1 ZINC000229883021 387202562 /nfs/dbraw/zinc/20/25/62/387202562.db2.gz LYWMOQQOUYLMEL-VIFPVBQESA-N 0 1 219.263 2.400 20 0 BEADMN Cc1ccc(CCCN2C[C@H](C)OC[C@@H]2C)cn1 ZINC000353447549 387204799 /nfs/dbraw/zinc/20/47/99/387204799.db2.gz IMLNOZCLQPPHMR-KBPBESRZSA-N 0 1 248.370 2.432 20 0 BEADMN Cn1ccnc1CN1CCC(C)(C2CC2)CC1 ZINC000336377489 387207776 /nfs/dbraw/zinc/20/77/76/387207776.db2.gz DSRGOZPRMJSLIB-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN Cc1nocc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353471618 387210267 /nfs/dbraw/zinc/21/02/67/387210267.db2.gz MLRQHHCDPGLPBM-VIFPVBQESA-N 0 1 246.257 2.044 20 0 BEADMN Cc1nocc1CN1CC[C@H](COC(F)F)C1 ZINC000353471618 387210272 /nfs/dbraw/zinc/21/02/72/387210272.db2.gz MLRQHHCDPGLPBM-VIFPVBQESA-N 0 1 246.257 2.044 20 0 BEADMN C[C@H](F)CCN1CCOc2cc(O)ccc2C1 ZINC000336384060 387213446 /nfs/dbraw/zinc/21/34/46/387213446.db2.gz UHBUSOPWJHPXRV-JTQLQIEISA-N 0 1 239.290 2.335 20 0 BEADMN c1ncc(CN2CC(C3CCC3)C2)s1 ZINC000336396497 387224891 /nfs/dbraw/zinc/22/48/91/387224891.db2.gz FDVUJILMKMTLCA-UHFFFAOYSA-N 0 1 208.330 2.375 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)NCCCc1cn[nH]c1C ZINC000360139612 387230811 /nfs/dbraw/zinc/23/08/11/387230811.db2.gz DKKPHNJNERWDSO-YPMHNXCESA-N 0 1 249.358 2.203 20 0 BEADMN CCCn1ncnc1CN1C[C@@H](C)CC1(C)C ZINC000572105092 387236625 /nfs/dbraw/zinc/23/66/25/387236625.db2.gz KYUIGTXUOBFYDC-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN Cc1noc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000336408313 387236920 /nfs/dbraw/zinc/23/69/20/387236920.db2.gz OZNCCZGSTJHKGK-GHMZBOCLSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1cc(CCN[C@H](C)c2cc(C)on2)on1 ZINC000353592357 387239359 /nfs/dbraw/zinc/23/93/59/387239359.db2.gz ALOHQAGAFJJQFI-SNVBAGLBSA-N 0 1 235.287 2.173 20 0 BEADMN C[C@H](N[C@@H]1CCC12CCCC2)c1ncnn1C ZINC000336413478 387242038 /nfs/dbraw/zinc/24/20/38/387242038.db2.gz PDRMECONVRUDSL-WDEREUQCSA-N 0 1 234.347 2.189 20 0 BEADMN Cc1cn2c(n1)CN(CC1CCCC1)CC2 ZINC000371700754 387242208 /nfs/dbraw/zinc/24/22/08/387242208.db2.gz PYAIZNNZKVMTJJ-UHFFFAOYSA-N 0 1 219.332 2.197 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000285156983 387243824 /nfs/dbraw/zinc/24/38/24/387243824.db2.gz MKRQIXHKKFLZCZ-AEJSXWLSSA-N 0 1 212.293 2.057 20 0 BEADMN CSCCN(C)Cc1c(C)noc1C ZINC000097324805 387244540 /nfs/dbraw/zinc/24/45/40/387244540.db2.gz QMDIRGIRTTWWEG-UHFFFAOYSA-N 0 1 214.334 2.086 20 0 BEADMN CCC[C@H](C)[C@H](CC)NCC(F)(F)CN ZINC000423346384 387195706 /nfs/dbraw/zinc/19/57/06/387195706.db2.gz OWGDFFQXHLMPRS-UWVGGRQHSA-N 0 1 222.323 2.385 20 0 BEADMN CN(Cc1cccc2c1OCCO2)C1CC1 ZINC000058907387 387199964 /nfs/dbraw/zinc/19/99/64/387199964.db2.gz DORFAFKRTCZGII-UHFFFAOYSA-N 0 1 219.284 2.052 20 0 BEADMN COC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360595036 387317153 /nfs/dbraw/zinc/31/71/53/387317153.db2.gz JMBMPXCCSMPCSK-LBPRGKRZSA-N 0 1 239.359 2.452 20 0 BEADMN CC[C@@H](CN(C)Cc1nnc[nH]1)c1ccccc1 ZINC000353712007 387262914 /nfs/dbraw/zinc/26/29/14/387262914.db2.gz NSNPITFYFYPDRA-LBPRGKRZSA-N 0 1 244.342 2.430 20 0 BEADMN CC[C@H](CN(C)Cc1nnc[nH]1)c1ccccc1 ZINC000353712006 387262950 /nfs/dbraw/zinc/26/29/50/387262950.db2.gz NSNPITFYFYPDRA-GFCCVEGCSA-N 0 1 244.342 2.430 20 0 BEADMN Cc1cnn(C)c1CNCc1ccsc1 ZINC000285422871 387264235 /nfs/dbraw/zinc/26/42/35/387264235.db2.gz JVYGKJRXPYKHJC-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN CC[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000120731705 387269031 /nfs/dbraw/zinc/26/90/31/387269031.db2.gz JHBHIGMGZCOPRY-JTQLQIEISA-N 0 1 243.310 2.435 20 0 BEADMN O=C(Nc1nccs1)c1c(O)cccc1F ZINC000120722413 387269332 /nfs/dbraw/zinc/26/93/32/387269332.db2.gz VSNGTOYEPRADAY-UHFFFAOYSA-N 0 1 238.243 2.240 20 0 BEADMN CCC[C@@H]1CCCN(CC(=O)OCC)C1 ZINC000120899389 387278689 /nfs/dbraw/zinc/27/86/89/387278689.db2.gz AOBNWAMIDUXZDX-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN Cc1nc(C(C)C)oc1CN1C[C@@H](O)C[C@@H]1C ZINC000336452922 387279967 /nfs/dbraw/zinc/27/99/67/387279967.db2.gz JRLRJZOZPLTQLI-ONGXEEELSA-N 0 1 238.331 2.062 20 0 BEADMN Cc1nc(CN(C)Cc2cc(C)ccc2C)n[nH]1 ZINC000353822970 387280580 /nfs/dbraw/zinc/28/05/80/387280580.db2.gz VJFBOTNXFOGTCT-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN Cc1cnc(CN2CCCC3(CC3)C2)cn1 ZINC000336459451 387285444 /nfs/dbraw/zinc/28/54/44/387285444.db2.gz XENVBXYHFWBIQJ-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN CSc1ccc(C[N@H+]2CC[C@](C)(O)C2)s1 ZINC000336491972 387318116 /nfs/dbraw/zinc/31/81/16/387318116.db2.gz FOQVXZGTRYZCEN-NSHDSACASA-N 0 1 243.397 2.427 20 0 BEADMN C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCCc1ccncc1 ZINC000360476737 387295343 /nfs/dbraw/zinc/29/53/43/387295343.db2.gz WPJREALYFLYLDQ-ZIAGYGMSSA-N 0 1 247.386 2.039 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@H]2C[C@@H]2C)s1 ZINC000321743622 387296683 /nfs/dbraw/zinc/29/66/83/387296683.db2.gz ZPMDGMZEUGQGKJ-YIZRAAEISA-N 0 1 225.361 2.235 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CCN1CCCSC ZINC000360542806 387306109 /nfs/dbraw/zinc/30/61/09/387306109.db2.gz KXRNHYFKQJYOKK-QWRGUYRKSA-N 0 1 245.388 2.013 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)C[C@@H](C)CC ZINC000423525751 387355338 /nfs/dbraw/zinc/35/53/38/387355338.db2.gz YNWCADIMUJLOAS-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CN(c1ccnc2cc(F)ccc21)C1CC(O)C1 ZINC000336531602 387355335 /nfs/dbraw/zinc/35/53/35/387355335.db2.gz NULAZXMBAVMYCP-UHFFFAOYSA-N 0 1 246.285 2.333 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCNC[C@@H]1CCC ZINC000423525421 387356435 /nfs/dbraw/zinc/35/64/35/387356435.db2.gz YFHVNWJKELVTEN-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN c1snnc1CNC[C@@H]1C[C@@H]1c1ccccc1 ZINC000354296007 387357430 /nfs/dbraw/zinc/35/74/30/387357430.db2.gz LCRBVVMZRIJVAF-WCQYABFASA-N 0 1 245.351 2.431 20 0 BEADMN COC(=O)c1ccoc1CN[C@H]1CCC1(C)C ZINC000515309469 387359571 /nfs/dbraw/zinc/35/95/71/387359571.db2.gz GKXNDZXQDLFDDE-NSHDSACASA-N 0 1 237.299 2.344 20 0 BEADMN CCCCCC(=O)N1CCN(C2CCC2)CC1 ZINC000354357388 387363473 /nfs/dbraw/zinc/36/34/73/387363473.db2.gz KCOUWLPDJZXXIA-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CC[C@H]1C[C@@H](NCC(C)(F)F)CCO1 ZINC000648594443 387366964 /nfs/dbraw/zinc/36/69/64/387366964.db2.gz PWWSJXFLWPLUJO-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1noc(CN[C@@H](C)C2CCCC2)n1 ZINC000054080872 387369064 /nfs/dbraw/zinc/36/90/64/387369064.db2.gz DKKGKZDMLQUHFR-QMMMGPOBSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000336549819 387370641 /nfs/dbraw/zinc/37/06/41/387370641.db2.gz QFNLCLMERKORMR-CABCVRRESA-N 0 1 246.354 2.391 20 0 BEADMN Cc1nnc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1C1CC1 ZINC000336547937 387371153 /nfs/dbraw/zinc/37/11/53/387371153.db2.gz BRTJUXAUWVCZGZ-AAEUAGOBSA-N 0 1 246.358 2.296 20 0 BEADMN Cc1nnc(CN2CC[C@@H]3CCC[C@@H]32)n1C1CC1 ZINC000336547937 387371159 /nfs/dbraw/zinc/37/11/59/387371159.db2.gz BRTJUXAUWVCZGZ-AAEUAGOBSA-N 0 1 246.358 2.296 20 0 BEADMN CC(C)CCC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373494436 387374520 /nfs/dbraw/zinc/37/45/20/387374520.db2.gz KOMAEGDOVXVILF-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)c1cc(N[C@@H]2CC2(C)C)nc(N(C)C)n1 ZINC000360964013 387374844 /nfs/dbraw/zinc/37/48/44/387374844.db2.gz KJIJAJUQBOMZEH-LLVKDONJSA-N 0 1 248.374 2.298 20 0 BEADMN CCN(CC(=O)N[C@@H](C)CC(C)C)C1CC1 ZINC000121510736 387376431 /nfs/dbraw/zinc/37/64/31/387376431.db2.gz NEXJLYBDLJUETP-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN CCCC[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423582611 387381923 /nfs/dbraw/zinc/38/19/23/387381923.db2.gz ARMQCFQTNKPXKU-UPJWGTAASA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(C(=O)N2CCCCC[C@@H]2C)n[nH]1 ZINC000336498237 387323314 /nfs/dbraw/zinc/32/33/14/387323314.db2.gz BLKYWNHUXRNXKU-JTQLQIEISA-N 0 1 221.304 2.123 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612270 387331541 /nfs/dbraw/zinc/33/15/41/387331541.db2.gz YQXCDHQYQKIUGM-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CC1CCCC1 ZINC000085611313 387333477 /nfs/dbraw/zinc/33/34/77/387333477.db2.gz LBVIJZZYSITOAN-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN Cc1nc([C@@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000286636118 387335157 /nfs/dbraw/zinc/33/51/57/387335157.db2.gz VNQFPWVJNMTEDH-SSDOTTSWSA-N 0 1 243.270 2.427 20 0 BEADMN CC(C)CC[C@@H]1CCCCN1C(=O)CN(C)C ZINC000352575161 387336049 /nfs/dbraw/zinc/33/60/49/387336049.db2.gz HJDDHBKNQLGYRW-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN c1n[nH]cc1[C@@H]1CCCN1Cc1ccncc1 ZINC000639781906 387337341 /nfs/dbraw/zinc/33/73/41/387337341.db2.gz RFBCYTYNXPNRIX-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN CCC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000515176785 387343729 /nfs/dbraw/zinc/34/37/29/387343729.db2.gz ALXXRNDAXSQIHC-JFGNBEQYSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423588731 387383613 /nfs/dbraw/zinc/38/36/13/387383613.db2.gz GZLZFZUXXRGTHP-ZDEQEGDKSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H]1CN(C[C@@H](O)CCC(C)C)CCO1 ZINC000361314187 387438708 /nfs/dbraw/zinc/43/87/08/387438708.db2.gz BXTOTBPVQNZRDU-UONOGXRCSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@@H](C)N(CCO)Cc1cnc(Cl)s1 ZINC000287469190 387446035 /nfs/dbraw/zinc/44/60/35/387446035.db2.gz RQIDJUBLMZXHTD-MRVPVSSYSA-N 0 1 248.779 2.389 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000516034868 387448932 /nfs/dbraw/zinc/44/89/32/387448932.db2.gz HCTBCRUGYYMISB-SNVBAGLBSA-N 0 1 245.282 2.294 20 0 BEADMN Cc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1F ZINC000336610843 387452245 /nfs/dbraw/zinc/45/22/45/387452245.db2.gz LOHSRBIHGFYMNZ-CYBMUJFWSA-N 0 1 235.302 2.091 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC000336614951 387456601 /nfs/dbraw/zinc/45/66/01/387456601.db2.gz OMIBFXKBPCRGHJ-VIFPVBQESA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@H](O)[C@H]1CCCCN1Cc1ncc(C)o1 ZINC000304290665 387458639 /nfs/dbraw/zinc/45/86/39/387458639.db2.gz CLBMKLBBSIEKPL-NEPJUHHUSA-N 0 1 238.331 2.108 20 0 BEADMN CCN(CC1CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000082784325 387388359 /nfs/dbraw/zinc/38/83/59/387388359.db2.gz ZYLVMVZKBROXNY-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000082776902 387388781 /nfs/dbraw/zinc/38/87/81/387388781.db2.gz XGCZQVMWSYZSCZ-MNOVXSKESA-N 0 1 227.348 2.449 20 0 BEADMN Cc1ccncc1CN(C)CCOCC(F)F ZINC000361420957 387460206 /nfs/dbraw/zinc/46/02/06/387460206.db2.gz DGSXIQGMNOCUTN-UHFFFAOYSA-N 0 1 244.285 2.104 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1ccc2cnccc2c1 ZINC000646235267 387405283 /nfs/dbraw/zinc/40/52/83/387405283.db2.gz GLSVAVXJEGHAND-HNNXBMFYSA-N 0 1 242.322 2.456 20 0 BEADMN C[N@H+](Cc1c[nH]cn1)[C@H]1CCC(C)(C)C1 ZINC000336584019 387411074 /nfs/dbraw/zinc/41/10/74/387411074.db2.gz JAICBXQRCSTZQB-NSHDSACASA-N 0 1 207.321 2.420 20 0 BEADMN C[N@@H+](Cc1c[nH]cn1)[C@H]1CCC(C)(C)C1 ZINC000336584019 387411081 /nfs/dbraw/zinc/41/10/81/387411081.db2.gz JAICBXQRCSTZQB-NSHDSACASA-N 0 1 207.321 2.420 20 0 BEADMN COC(=O)[C@@H](C)N(C)CC1CCCCCC1 ZINC000361195309 387414859 /nfs/dbraw/zinc/41/48/59/387414859.db2.gz ZBBFYFUSGHWLCR-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)n[nH]1 ZINC000336592400 387417433 /nfs/dbraw/zinc/41/74/33/387417433.db2.gz IDBINDDYPRJGOH-MWLCHTKSSA-N 0 1 235.331 2.233 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC000121815997 387418538 /nfs/dbraw/zinc/41/85/38/387418538.db2.gz YWBHCQQJRSJBML-CHWSQXEVSA-N 0 1 238.375 2.023 20 0 BEADMN CCSCCN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354709070 387419799 /nfs/dbraw/zinc/41/97/99/387419799.db2.gz PTSOBIURDVZKTF-OLZOCXBDSA-N 0 1 241.400 2.383 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CCCC1 ZINC000037092951 387421030 /nfs/dbraw/zinc/42/10/30/387421030.db2.gz TWRLONNSRAZKBJ-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cn1ccc(CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000354731009 387423198 /nfs/dbraw/zinc/42/31/98/387423198.db2.gz LGSVARYZVSUCLB-HNNXBMFYSA-N 0 1 248.370 2.416 20 0 BEADMN COCc1cc(CN[C@H](C)C(C)(C)C)no1 ZINC000516300959 387497316 /nfs/dbraw/zinc/49/73/16/387497316.db2.gz LXGWYDZSNSPUMG-SECBINFHSA-N 0 1 226.320 2.345 20 0 BEADMN CC1(C)C(=O)NCCN1CCC1CCCCC1 ZINC000361576378 387497873 /nfs/dbraw/zinc/49/78/73/387497873.db2.gz GMBRLWZPKONEJM-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000122225573 387500739 /nfs/dbraw/zinc/50/07/39/387500739.db2.gz ZLAAFXYIRHLYCI-NXEZZACHSA-N 0 1 235.331 2.117 20 0 BEADMN CC[C@H]1CN(CCN(C)c2ccccc2)CCO1 ZINC000085785042 387502442 /nfs/dbraw/zinc/50/24/42/387502442.db2.gz IFFMXDSBQVKABS-HNNXBMFYSA-N 0 1 248.370 2.234 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC000421919360 387502902 /nfs/dbraw/zinc/50/29/02/387502902.db2.gz QJJJHHKZNNNSIA-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CC[S@@](=O)c1ccccc1)C1CC1 ZINC000355248821 387504775 /nfs/dbraw/zinc/50/47/75/387504775.db2.gz BXHFBTQRSIZYLS-MRXNPFEDSA-N 0 1 237.368 2.279 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000042295056 387508672 /nfs/dbraw/zinc/50/86/72/387508672.db2.gz DBCREIMRGPKERE-GFCCVEGCSA-N 0 1 249.310 2.005 20 0 BEADMN CC[C@@H](C)CCC(=O)NCCN1CC=CCC1 ZINC000355504252 387544830 /nfs/dbraw/zinc/54/48/30/387544830.db2.gz VXURWPHQERBYAX-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN CCCCNC(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000361611885 387510883 /nfs/dbraw/zinc/51/08/83/387510883.db2.gz SGMXTKBAQBGDOI-ZDUSSCGKSA-N 0 1 238.375 2.333 20 0 BEADMN CCc1nsc(NC[C@@H]2C[C@H]2C2CCC2)n1 ZINC000425283585 387523964 /nfs/dbraw/zinc/52/39/64/387523964.db2.gz PFXBPZHFZVIPSM-UWVGGRQHSA-N 0 1 237.372 2.371 20 0 BEADMN Cc1ccoc1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000355359898 387525875 /nfs/dbraw/zinc/52/58/75/387525875.db2.gz DJYWISKXQFCYNF-CYBMUJFWSA-N 0 1 236.359 2.360 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)C2CC(O)C2)o1 ZINC000355371747 387528013 /nfs/dbraw/zinc/52/80/13/387528013.db2.gz OOYXAPSBRTYBNE-PGHLRGPGSA-N 0 1 235.327 2.358 20 0 BEADMN CCCCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000361749118 387529219 /nfs/dbraw/zinc/52/92/19/387529219.db2.gz JCKQVJFFSSJXNN-NSHDSACASA-N 0 1 228.380 2.412 20 0 BEADMN Fc1cccc(CCC[N@H+]2CCCOCC2)c1 ZINC000361742703 387529666 /nfs/dbraw/zinc/52/96/66/387529666.db2.gz GXGWMSHCDXFZHX-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN CCCCCN1CCO[C@H](COCC2CC2)C1 ZINC000361753502 387530566 /nfs/dbraw/zinc/53/05/66/387530566.db2.gz JVERUPNHIUCRCD-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CCCCCN1CCN(CC)C(=O)[C@@H]1CC ZINC000361851391 387544356 /nfs/dbraw/zinc/54/43/56/387544356.db2.gz OBJFSMUETQAWDN-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN C[C@@]1(c2ccccc2)CN(CCCCO)CCO1 ZINC000305055029 387541850 /nfs/dbraw/zinc/54/18/50/387541850.db2.gz DWCCUJQRMLIEPE-HNNXBMFYSA-N 0 1 249.354 2.007 20 0 BEADMN O=C1OCC[C@@H]1N1CCCC2(CCCCC2)C1 ZINC000111323316 387542027 /nfs/dbraw/zinc/54/20/27/387542027.db2.gz GIHALQCWDNSVMJ-LBPRGKRZSA-N 0 1 237.343 2.348 20 0 BEADMN CCC[C@H](C)CN1CCn2cc(C)nc2C1 ZINC000374699368 387483752 /nfs/dbraw/zinc/48/37/52/387483752.db2.gz LJASBTXQAOYOOS-NSHDSACASA-N 0 1 221.348 2.443 20 0 BEADMN CC[C@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000361546547 387484466 /nfs/dbraw/zinc/48/44/66/387484466.db2.gz BTVVFEQFXDDJIH-LBPRGKRZSA-N 0 1 236.363 2.408 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000355156087 387488941 /nfs/dbraw/zinc/48/89/41/387488941.db2.gz ABNFHDROKHLMTF-CMPLNLGQSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000355156087 387488945 /nfs/dbraw/zinc/48/89/45/387488945.db2.gz ABNFHDROKHLMTF-CMPLNLGQSA-N 0 1 247.342 2.119 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)Cc2nccn2C)C1 ZINC000195514551 387586954 /nfs/dbraw/zinc/58/69/54/387586954.db2.gz BWBZFCXAIJSARW-VXGBXAGGSA-N 0 1 221.348 2.431 20 0 BEADMN FC1(CNCc2ccc(N3CCCC3)nc2)CC1 ZINC000527514217 387592665 /nfs/dbraw/zinc/59/26/65/387592665.db2.gz BXIXLTJAZXSNOU-UHFFFAOYSA-N 0 1 249.333 2.274 20 0 BEADMN CN(Cc1ncccc1Cl)C[C@H]1CCOC1 ZINC000528400006 387592840 /nfs/dbraw/zinc/59/28/40/387592840.db2.gz VODZPGGVTJMTCL-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN COC(=O)c1cc(CN2CC3(C2)CCCC3)c[nH]1 ZINC000362311516 387595062 /nfs/dbraw/zinc/59/50/62/387595062.db2.gz ANAHBBCDIGRNDG-UHFFFAOYSA-N 0 1 248.326 2.177 20 0 BEADMN CC1=C[C@H](C)CN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000430273296 387604653 /nfs/dbraw/zinc/60/46/53/387604653.db2.gz DFUWAWSBQOAHCM-AAEUAGOBSA-N 0 1 238.375 2.045 20 0 BEADMN CCC(C)(C)NC(=O)CN1CC(C)=C[C@H](C)C1 ZINC000430269395 387604697 /nfs/dbraw/zinc/60/46/97/387604697.db2.gz QJOZCPXOEBTFTQ-NSHDSACASA-N 0 1 238.375 2.189 20 0 BEADMN CCOC(=O)[C@@H](CC)N1CC(C)=C[C@@H](C)C1 ZINC000430277447 387607342 /nfs/dbraw/zinc/60/73/42/387607342.db2.gz NMGUCKGENBAJAN-ZYHUDNBSSA-N 0 1 225.332 2.226 20 0 BEADMN CN(Cc1ccco1)Cc1c[nH]c2nccnc12 ZINC000356094334 387617038 /nfs/dbraw/zinc/61/70/38/387617038.db2.gz WORRJCURWBODGL-UHFFFAOYSA-N 0 1 242.282 2.135 20 0 BEADMN CN(CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000122913918 387617239 /nfs/dbraw/zinc/61/72/39/387617239.db2.gz ZUOHJJUCSHCQOO-UHFFFAOYSA-N 0 1 236.359 2.014 20 0 BEADMN Cc1csc(CN2[C@@H](CO)CCC[C@@H]2C)n1 ZINC000305633187 387619579 /nfs/dbraw/zinc/61/95/79/387619579.db2.gz NLNSZWBRSMJFFQ-WDEREUQCSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@H]1CCCC[C@@H]1C(=O)NCc1cnc[nH]1 ZINC000356158962 387623265 /nfs/dbraw/zinc/62/32/65/387623265.db2.gz WTRGXOVZIQTCJK-JQWIXIFHSA-N 0 1 235.331 2.242 20 0 BEADMN CCCCCN1CCN(CC)C(=O)[C@H]1CC ZINC000361851389 387545669 /nfs/dbraw/zinc/54/56/69/387545669.db2.gz OBJFSMUETQAWDN-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CCCC[C@H]1C ZINC000527241566 387547770 /nfs/dbraw/zinc/54/77/70/387547770.db2.gz ILUFZNGXSRZENI-UTUOFQBUSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)[C@]1(C)C[C@H]1Nc1ncnc2[nH]cnc21 ZINC000397189899 387549756 /nfs/dbraw/zinc/54/97/56/387549756.db2.gz OKJWKPLLYJDPMB-PELKAZGASA-N 0 1 231.303 2.199 20 0 BEADMN COCC(C)(C)CN1CCc2ncsc2C1 ZINC000426372980 387560562 /nfs/dbraw/zinc/56/05/62/387560562.db2.gz SCHJCJMJDQLMIG-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN Cc1[nH]ncc1CNC(=O)Nc1cccc(F)c1 ZINC000037991341 387570938 /nfs/dbraw/zinc/57/09/38/387570938.db2.gz DMTAMAYUSBALJJ-UHFFFAOYSA-N 0 1 248.261 2.179 20 0 BEADMN Cc1cccc2nc(CN3CCCC3)cn21 ZINC000035451199 387572685 /nfs/dbraw/zinc/57/26/85/387572685.db2.gz OVPNFUXZAJFQMV-UHFFFAOYSA-N 0 1 215.300 2.239 20 0 BEADMN CC/C=C/CCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000375739908 387577532 /nfs/dbraw/zinc/57/75/32/387577532.db2.gz COASTXCSTYFCGF-LSMGEYOZSA-N 0 1 239.359 2.223 20 0 BEADMN CCC[C@H](C)CN1CCO[C@H](C(=O)C2CC2)C1 ZINC000356282296 387637150 /nfs/dbraw/zinc/63/71/50/387637150.db2.gz PAELHKBZKXHDGX-AAEUAGOBSA-N 0 1 239.359 2.103 20 0 BEADMN CCC[C@H](C)CN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356282298 387638206 /nfs/dbraw/zinc/63/82/06/387638206.db2.gz PAELHKBZKXHDGX-WCQYABFASA-N 0 1 239.359 2.103 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CCC[C@@H]2C)n1C ZINC000125192818 387645817 /nfs/dbraw/zinc/64/58/17/387645817.db2.gz XWSZTUKASQHATP-QWRGUYRKSA-N 0 1 236.363 2.134 20 0 BEADMN C[C@H](O)[C@H](C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000430966047 387662658 /nfs/dbraw/zinc/66/26/58/387662658.db2.gz NPWVLQYXHMCBAL-YUMQZZPRSA-N 0 1 243.376 2.105 20 0 BEADMN CC(C)(C)n1ncnc1CN1CCC2(CC2)CC1 ZINC000376692121 387663235 /nfs/dbraw/zinc/66/32/35/387663235.db2.gz VONLBMWSSUBNCL-UHFFFAOYSA-N 0 1 248.374 2.409 20 0 BEADMN C[C@@H](O)[C@@H](C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000430966044 387666593 /nfs/dbraw/zinc/66/65/93/387666593.db2.gz NPWVLQYXHMCBAL-HTQZYQBOSA-N 0 1 243.376 2.105 20 0 BEADMN C[C@H](O)CCNCc1c(F)ccc(F)c1Cl ZINC000527701133 387666721 /nfs/dbraw/zinc/66/67/21/387666721.db2.gz RECBXYPHPBRDDZ-ZETCQYMHSA-N 0 1 249.688 2.479 20 0 BEADMN CC[C@H](F)CN(C)C[C@@H]1CCCCO1 ZINC000440707015 387675033 /nfs/dbraw/zinc/67/50/33/387675033.db2.gz WDRIOCFKDZHPJV-QWRGUYRKSA-N 0 1 203.301 2.235 20 0 BEADMN CCN(CC(=O)N(C)[C@H](C)C1CCC1)C1CC1 ZINC000356589515 387677815 /nfs/dbraw/zinc/67/78/15/387677815.db2.gz KFRJJVCITFECHW-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](F)CN1CCC[C@H]1c1cnn(C)c1 ZINC000440709333 387678446 /nfs/dbraw/zinc/67/84/46/387678446.db2.gz IFBSEPSAPPQKJU-NEPJUHHUSA-N 0 1 225.311 2.305 20 0 BEADMN CC[C@H](F)CN1CC[C@H](OCC(C)C)C1 ZINC000440766492 387686235 /nfs/dbraw/zinc/68/62/35/387686235.db2.gz RIXMBDWZUYXVNS-RYUDHWBXSA-N 0 1 217.328 2.481 20 0 BEADMN CC[C@H](F)CN(C)CCc1ccncc1 ZINC000440766381 387686347 /nfs/dbraw/zinc/68/63/47/387686347.db2.gz QUMDQAITWOQDDS-LBPRGKRZSA-N 0 1 210.296 2.304 20 0 BEADMN COC(=O)c1coc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC000377768653 387748099 /nfs/dbraw/zinc/74/80/99/387748099.db2.gz LXIACXSACZEZTM-ZWNOBZJWSA-N 0 1 249.310 2.441 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000521459027 387749709 /nfs/dbraw/zinc/74/97/09/387749709.db2.gz PZAYMWGBYMXXDH-WOPDTQHZSA-N 0 1 249.358 2.141 20 0 BEADMN C[C@H](C(=O)NCCCC(C)(C)C)N1CC(C)C1 ZINC000521459554 387750711 /nfs/dbraw/zinc/75/07/11/387750711.db2.gz ZFGDFPCHBGYNGB-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(F)c(CNCC[C@H](C)O)c(F)c1 ZINC000424141073 387700645 /nfs/dbraw/zinc/70/06/45/387700645.db2.gz GRGQISXVFMFMAN-VIFPVBQESA-N 0 1 229.270 2.134 20 0 BEADMN CCOC(=O)CN(CCCSC)C(C)(C)C ZINC000431376821 387704973 /nfs/dbraw/zinc/70/49/73/387704973.db2.gz NDHHDUKGLVOQGY-UHFFFAOYSA-N 0 1 247.404 2.403 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000422816662 387714191 /nfs/dbraw/zinc/71/41/91/387714191.db2.gz FQNDHXUUFWIHGG-GRYCIOLGSA-N 0 1 240.391 2.268 20 0 BEADMN CCC(CC)[C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000422816665 387714580 /nfs/dbraw/zinc/71/45/80/387714580.db2.gz FQNDHXUUFWIHGG-UTUOFQBUSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000356797608 387722246 /nfs/dbraw/zinc/72/22/46/387722246.db2.gz GICIFECDFMKQHG-BDAKNGLRSA-N 0 1 238.335 2.054 20 0 BEADMN O=C(CN1CC2CCC1CC2)Nc1ccccc1 ZINC000367564526 387727367 /nfs/dbraw/zinc/72/73/67/387727367.db2.gz OQSHRHHBXDHUME-UHFFFAOYSA-N 0 1 244.338 2.500 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cscn1 ZINC000527806561 387729966 /nfs/dbraw/zinc/72/99/66/387729966.db2.gz XZIZEYNHOKZKPQ-LOKLDPHHSA-N 0 1 226.345 2.045 20 0 BEADMN CC(C)CCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367598625 387734261 /nfs/dbraw/zinc/73/42/61/387734261.db2.gz FULSIQZYACAUEP-KBPBESRZSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H](C)C2CCC2)n[nH]1 ZINC000356876154 387737605 /nfs/dbraw/zinc/73/76/05/387737605.db2.gz OAQXWCJAQJLSLK-VIFPVBQESA-N 0 1 235.331 2.233 20 0 BEADMN COC[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000356991207 387762065 /nfs/dbraw/zinc/76/20/65/387762065.db2.gz VMTSMANAFROXAM-WDEREUQCSA-N 0 1 224.304 2.012 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000441482409 387764516 /nfs/dbraw/zinc/76/45/16/387764516.db2.gz CXAPRKZUTQSXAI-ABAIWWIYSA-N 0 1 231.405 2.266 20 0 BEADMN CCC(C)(C)CCN1CC[S@](=O)[C@H](C)C1 ZINC000441482409 387764519 /nfs/dbraw/zinc/76/45/19/387764519.db2.gz CXAPRKZUTQSXAI-ABAIWWIYSA-N 0 1 231.405 2.266 20 0 BEADMN CCC(C)(C)CC[N@H+]1CC[S@](=O)[C@@H](C)C1 ZINC000441482411 387765143 /nfs/dbraw/zinc/76/51/43/387765143.db2.gz CXAPRKZUTQSXAI-NHYWBVRUSA-N 0 1 231.405 2.266 20 0 BEADMN CCC(C)(C)CCN1CC[S@](=O)[C@@H](C)C1 ZINC000441482411 387765145 /nfs/dbraw/zinc/76/51/45/387765145.db2.gz CXAPRKZUTQSXAI-NHYWBVRUSA-N 0 1 231.405 2.266 20 0 BEADMN Cc1nnc(CN[C@@H](C)[C@H]2CC23CC3)s1 ZINC000527889134 387772894 /nfs/dbraw/zinc/77/28/94/387772894.db2.gz YZBJSPZTDIWQBS-IONNQARKSA-N 0 1 223.345 2.125 20 0 BEADMN CC[C@H](NC(=O)c1ccc(F)cc1O)C(F)F ZINC000452243800 387778521 /nfs/dbraw/zinc/77/85/21/387778521.db2.gz LFBPMCMWWUXDGC-QMMMGPOBSA-N 0 1 247.216 2.305 20 0 BEADMN Cn1nc(C2CC2)nc1CN1CCC2(CC2)CC1 ZINC000645842049 387794755 /nfs/dbraw/zinc/79/47/55/387794755.db2.gz GHBVQULSVNYHKL-UHFFFAOYSA-N 0 1 246.358 2.069 20 0 BEADMN Cc1ncccc1CN[C@H](C)c1cncnc1C ZINC000527985036 387802340 /nfs/dbraw/zinc/80/23/40/387802340.db2.gz GGNCRLLDDBYVEA-LLVKDONJSA-N 0 1 242.326 2.339 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)no1 ZINC000528005368 387805798 /nfs/dbraw/zinc/80/57/98/387805798.db2.gz IJWPUTBAUVPSQW-JPYZYGQNSA-N 0 1 238.331 2.446 20 0 BEADMN CCC(C)(C)CCN(C)[C@H](C)CS(C)(=O)=O ZINC000441389502 387757072 /nfs/dbraw/zinc/75/70/72/387757072.db2.gz ZRVNTAHLIWMEOD-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ccc(C(=O)[O-])o1 ZINC000309554883 387820513 /nfs/dbraw/zinc/82/05/13/387820513.db2.gz LYXAXYIPIPZEPL-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000528008349 387820738 /nfs/dbraw/zinc/82/07/38/387820738.db2.gz SEXTWXVTSMPSOD-MJYBNVITSA-N 0 1 249.358 2.290 20 0 BEADMN CC[C@H](C)CN(C)Cc1snnc1C ZINC000564090287 387822355 /nfs/dbraw/zinc/82/23/55/387822355.db2.gz NJUUKRFAHQEPRU-QMMMGPOBSA-N 0 1 213.350 2.324 20 0 BEADMN CCc1ccc([C@@H](C)NCc2cnnn2C)cc1 ZINC000135843832 387824392 /nfs/dbraw/zinc/82/43/92/387824392.db2.gz FJJYTWJORNDCJX-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN Cc1ccc([C@@H](C)NCc2cnnn2C)c(C)c1 ZINC000135857056 387824511 /nfs/dbraw/zinc/82/45/11/387824511.db2.gz FXKQAAJHYOYXRC-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000432834800 387832373 /nfs/dbraw/zinc/83/23/73/387832373.db2.gz LBFBRMFHHMIBDT-SNVBAGLBSA-N 0 1 236.363 2.334 20 0 BEADMN Clc1cnc(NCC[C@H]2CCCOC2)s1 ZINC000528075663 387836541 /nfs/dbraw/zinc/83/65/41/387836541.db2.gz ZEZRFAYIBWIIFF-MRVPVSSYSA-N 0 1 246.763 2.447 20 0 BEADMN c1nc(C[N@H+]2CCC[C@@H]2C2CCOCC2)co1 ZINC000432923809 387840884 /nfs/dbraw/zinc/84/08/84/387840884.db2.gz VDOCATKCZKEARU-CYBMUJFWSA-N 0 1 236.315 2.066 20 0 BEADMN CCN(Cc1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC000442805544 387843752 /nfs/dbraw/zinc/84/37/52/387843752.db2.gz APBKDVSYLLRGDL-UHFFFAOYSA-N 0 1 233.237 2.413 20 0 BEADMN CC(C)[C@@H]1CN(CC2=CCCC2)CCO1 ZINC000645847773 387857756 /nfs/dbraw/zinc/85/77/56/387857756.db2.gz BKKZTUJMFJPUIE-ZDUSSCGKSA-N 0 1 209.333 2.454 20 0 BEADMN Cc1nc(CNC[C@]2(O)CCC[C@H]2C)cs1 ZINC000328081213 387863816 /nfs/dbraw/zinc/86/38/16/387863816.db2.gz GSEXNQZSLQTLQH-BXKDBHETSA-N 0 1 240.372 2.092 20 0 BEADMN Cc1nccc(NCC23CC(C2)CO3)c1Cl ZINC000528184836 387874627 /nfs/dbraw/zinc/87/46/27/387874627.db2.gz SLDIZFHBNBPZNZ-UHFFFAOYSA-N 0 1 238.718 2.056 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)N[C@H](CC)C(F)F ZINC000452676646 387886475 /nfs/dbraw/zinc/88/64/75/387886475.db2.gz TWLRVILARVDHAX-NXEZZACHSA-N 0 1 248.317 2.021 20 0 BEADMN c1nc(CNC[C@@H]2C[C@H]2C2CCC2)co1 ZINC000424178502 387888990 /nfs/dbraw/zinc/88/89/90/387888990.db2.gz WTJDSLMIWHJAKU-JQWIXIFHSA-N 0 1 206.289 2.200 20 0 BEADMN CC(C)(C)C[C@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000236632964 387900361 /nfs/dbraw/zinc/90/03/61/387900361.db2.gz XLDJVNQOCYTIQT-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)(C)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195068432 387905608 /nfs/dbraw/zinc/90/56/08/387905608.db2.gz UBXWEGXPFCJKHO-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)[C@@H](C)[C@H](C)O1 ZINC000438367280 387929530 /nfs/dbraw/zinc/92/95/30/387929530.db2.gz ZMISKVKBISDQBA-WOPDTQHZSA-N 0 1 222.332 2.023 20 0 BEADMN CC(C)[C@H](CC(F)(F)F)NCc1ccn(C)n1 ZINC000438479117 387936685 /nfs/dbraw/zinc/93/66/85/387936685.db2.gz RCJNCEJUHRIJNE-JTQLQIEISA-N 0 1 249.280 2.487 20 0 BEADMN CN1CCC[C@H]1C(=O)NCC1CCCCCC1 ZINC000452799914 387923949 /nfs/dbraw/zinc/92/39/49/387923949.db2.gz ZDWHHLQLNAGGHU-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)N(C)C(=O)c1ccc(F)cc1O ZINC000179389314 387925675 /nfs/dbraw/zinc/92/56/75/387925675.db2.gz OAZNTGWQQUNXFC-UHFFFAOYSA-N 0 1 211.236 2.012 20 0 BEADMN C[C@@H]1CN(Cc2cccn2C)[C@H](C)[C@@H](C)O1 ZINC000438361206 387925731 /nfs/dbraw/zinc/92/57/31/387925731.db2.gz APOHTDWIHJPRTL-IJLUTSLNSA-N 0 1 222.332 2.023 20 0 BEADMN CC(C)CCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000450345540 387954366 /nfs/dbraw/zinc/95/43/66/387954366.db2.gz BDFMWLNQDATHHO-QWHCGFSZSA-N 0 1 240.391 2.364 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000424306115 387961526 /nfs/dbraw/zinc/96/15/26/387961526.db2.gz GSHKLHYPYHCYBB-NEPJUHHUSA-N 0 1 247.342 2.154 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)C(C)C ZINC000424304693 387962775 /nfs/dbraw/zinc/96/27/75/387962775.db2.gz BPOXWORQQPNPGF-JTQLQIEISA-N 0 1 223.320 2.009 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000424312113 387965137 /nfs/dbraw/zinc/96/51/37/387965137.db2.gz VZZQRHJQBCBNCJ-NWDGAFQWSA-N 0 1 247.342 2.154 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000645881545 387966658 /nfs/dbraw/zinc/96/66/58/387966658.db2.gz BCOPXCHAIXUSHB-BFHYXJOUSA-N 0 1 248.370 2.430 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H](COC)C(C)C ZINC000453114027 387987350 /nfs/dbraw/zinc/98/73/50/387987350.db2.gz FZRXEJODBHQPQW-VXGBXAGGSA-N 0 1 239.363 2.225 20 0 BEADMN CCOC(=O)[C@H](C)N1CCCCC(C)(C)C1 ZINC000446067717 387991655 /nfs/dbraw/zinc/99/16/55/387991655.db2.gz PDNCHJFNEJDCRO-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000245952125 387994685 /nfs/dbraw/zinc/99/46/85/387994685.db2.gz SPQZCGMVTNHRQK-MNOVXSKESA-N 0 1 249.358 2.223 20 0 BEADMN CCN(CC(=O)Nc1ccccc1C)C1CC1 ZINC000045770759 387994758 /nfs/dbraw/zinc/99/47/58/387994758.db2.gz MBHCGHVMEOSNKD-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN Cc1n[nH]cc1CN1CCS[C@@H](C)[C@H]1C ZINC000245768313 387982793 /nfs/dbraw/zinc/98/27/93/387982793.db2.gz RFPVCHKRLZJQPS-ZJUUUORDSA-N 0 1 225.361 2.044 20 0 BEADMN CC/C=C\CCN1CCNC(=O)[C@H]1CC(C)C ZINC000446003743 387984831 /nfs/dbraw/zinc/98/48/31/387984831.db2.gz LCVVFVSFYRUDEN-CFHLNLSMSA-N 0 1 238.375 2.189 20 0 BEADMN COC[C@@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000446096243 388000422 /nfs/dbraw/zinc/00/04/22/388000422.db2.gz UNEQQPWAFCSSQW-VIFPVBQESA-N 0 1 247.298 2.174 20 0 BEADMN CC(C)=CCSCCN1CCO[C@H](C)C1 ZINC000446134162 388003758 /nfs/dbraw/zinc/00/37/58/388003758.db2.gz CFYAGUHSEYMGJR-GFCCVEGCSA-N 0 1 229.389 2.407 20 0 BEADMN Cc1ccnc(NC[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000420611571 388005788 /nfs/dbraw/zinc/00/57/88/388005788.db2.gz REPWDBUFSPEHSJ-HAQNSBGRSA-N 0 1 247.342 2.094 20 0 BEADMN CCn1ccnc1[C@H](C)NCC1(OC)CCC1 ZINC000453193673 388006074 /nfs/dbraw/zinc/00/60/74/388006074.db2.gz GLDSCLUAUPXOME-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H]1C[C@H](NC[C@H]2CCC(C)(C)O2)c2nccn21 ZINC000453190713 388006871 /nfs/dbraw/zinc/00/68/71/388006871.db2.gz AHAAJKACSJXRKS-UTUOFQBUSA-N 0 1 249.358 2.436 20 0 BEADMN CO[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453204381 388009865 /nfs/dbraw/zinc/00/98/65/388009865.db2.gz BPVMUBYGKKDJSJ-XQHKEYJVSA-N 0 1 249.358 2.436 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453142641 387996501 /nfs/dbraw/zinc/99/65/01/387996501.db2.gz LOZKEDMRGOQLCG-UKKRHICBSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@H]1CN(CCN(C)c2ccccc2)[C@@H](C)CO1 ZINC000246126522 388012336 /nfs/dbraw/zinc/01/23/36/388012336.db2.gz DRIGFCVQYNIHLH-KBPBESRZSA-N 0 1 248.370 2.232 20 0 BEADMN Cn1ccnc1[C@H](NC1CC(C)(F)C1)C1CC1 ZINC000453226669 388015565 /nfs/dbraw/zinc/01/55/65/388015565.db2.gz ABLKKVMQJYGMOZ-QWKFWESOSA-N 0 1 237.322 2.351 20 0 BEADMN CC[C@@H](NC1CC(C)(F)C1)c1nccn1C ZINC000453242658 388021901 /nfs/dbraw/zinc/02/19/01/388021901.db2.gz WEMQBVQYKAGCPF-SQLBVSGCSA-N 0 1 225.311 2.351 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@H](C)C(C)C ZINC000246235554 388022726 /nfs/dbraw/zinc/02/27/26/388022726.db2.gz SXBCLSXCWCBVMW-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C(C)C ZINC000246235552 388023528 /nfs/dbraw/zinc/02/35/28/388023528.db2.gz SXBCLSXCWCBVMW-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CC/C=C/CN[C@@H](CC)c1ccn(C)n1 ZINC000453317476 388039708 /nfs/dbraw/zinc/03/97/08/388039708.db2.gz KTYULILPCBAPPN-MLRMMBSGSA-N 0 1 207.321 2.427 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@@](C)(CC)OC ZINC000453304830 388039824 /nfs/dbraw/zinc/03/98/24/388039824.db2.gz PSRLNWPFOVXUMV-DGCLKSJQSA-N 0 1 239.363 2.369 20 0 BEADMN CC/C=C\CN[C@@H](CC)c1ccn(C)n1 ZINC000453317478 388040048 /nfs/dbraw/zinc/04/00/48/388040048.db2.gz KTYULILPCBAPPN-ZADCQDASSA-N 0 1 207.321 2.427 20 0 BEADMN CN(Cc1cocn1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447096934 388052994 /nfs/dbraw/zinc/05/29/94/388052994.db2.gz DFEFYHVGASWKDE-UHFFFAOYSA-N 0 1 248.330 2.327 20 0 BEADMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccsc1 ZINC000453352119 388056327 /nfs/dbraw/zinc/05/63/27/388056327.db2.gz KWHHJIIMERMQLW-MVWJERBFSA-N 0 1 241.356 2.203 20 0 BEADMN Cc1cc([C@@H](C)NCCC[C@H]2CCOC2)no1 ZINC000453362829 388059718 /nfs/dbraw/zinc/05/97/18/388059718.db2.gz LFLVQCWKISWBOT-NEPJUHHUSA-N 0 1 238.331 2.450 20 0 BEADMN CCCc1ncc(CN[C@@H](C)[C@@H]2CCCO2)o1 ZINC000453384827 388067162 /nfs/dbraw/zinc/06/71/62/388067162.db2.gz NFPOHMZJXMNRDQ-JQWIXIFHSA-N 0 1 238.331 2.284 20 0 BEADMN CCOC(=O)[C@H]1CCCN(C[C@H](F)CC)C1 ZINC000440700004 388068481 /nfs/dbraw/zinc/06/84/81/388068481.db2.gz VMZKZXUXQBDACJ-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453397987 388071361 /nfs/dbraw/zinc/07/13/61/388071361.db2.gz ISPOSAFGFYSNBP-QNWHQSFQSA-N 0 1 249.358 2.436 20 0 BEADMN CC[C@H](NC[C@H]1CC[C@H](C)O1)c1nccn1C ZINC000453411211 388076711 /nfs/dbraw/zinc/07/67/11/388076711.db2.gz QFEBUICVJBZIMM-TUAOUCFPSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](NC[C@H]1CC[C@@H](C)O1)c1nccn1C ZINC000453411212 388076833 /nfs/dbraw/zinc/07/68/33/388076833.db2.gz QFEBUICVJBZIMM-UTUOFQBUSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1ccc([C@@H](C)N[C@H](CC)C(=O)NC)o1 ZINC000453422829 388080775 /nfs/dbraw/zinc/08/07/75/388080775.db2.gz XJQQLFMDQSENNU-MWLCHTKSSA-N 0 1 238.331 2.017 20 0 BEADMN COC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172458 388084750 /nfs/dbraw/zinc/08/47/50/388084750.db2.gz OYNJHWJHBWYPEV-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN O=C(C=CC1CCCCC1)NCc1ncc[nH]1 ZINC000117800423 388091874 /nfs/dbraw/zinc/09/18/74/388091874.db2.gz QPUNBJAZRTVBBR-VOTSOKGWSA-N 0 1 233.315 2.162 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NCc1nccn1C ZINC000453621873 388093097 /nfs/dbraw/zinc/09/30/97/388093097.db2.gz YTTDMGHUETUFFG-DGCLKSJQSA-N 0 1 221.348 2.334 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NCc1nccnc1OC ZINC000453621870 388093954 /nfs/dbraw/zinc/09/39/54/388093954.db2.gz YTKNQBGZLICNBI-OCCSQVGLSA-N 0 1 249.358 2.400 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ncc[nH]2)C12CCCC2 ZINC000085681753 388094356 /nfs/dbraw/zinc/09/43/56/388094356.db2.gz AFGOXKMRQVCJHV-RYUDHWBXSA-N 0 1 249.358 2.237 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2cc[nH]n2)C12CCCC2 ZINC000085680477 388094412 /nfs/dbraw/zinc/09/44/12/388094412.db2.gz KKCKLJCBISAYFG-QWHCGFSZSA-N 0 1 249.358 2.237 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000447879304 388098989 /nfs/dbraw/zinc/09/89/89/388098989.db2.gz PPPXYDMWPBOKCU-RYUDHWBXSA-N 0 1 234.347 2.063 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H]2CCC[C@H]21 ZINC000447879303 388099655 /nfs/dbraw/zinc/09/96/55/388099655.db2.gz PPPXYDMWPBOKCU-NWDGAFQWSA-N 0 1 234.347 2.063 20 0 BEADMN CCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464808955 388105019 /nfs/dbraw/zinc/10/50/19/388105019.db2.gz ALEMHEDEBPXMBF-OLZOCXBDSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1F ZINC000086739953 388108097 /nfs/dbraw/zinc/10/80/97/388108097.db2.gz NNUPXDUOPJMXEL-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN O=C([O-])C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000086751980 388108390 /nfs/dbraw/zinc/10/83/90/388108390.db2.gz JRPAKGLLZYDRTF-ZDUSSCGKSA-N 0 1 231.295 2.223 20 0 BEADMN CC(C)C1CN(Cc2cnn(CC(F)F)c2)C1 ZINC000646182029 388160545 /nfs/dbraw/zinc/16/05/45/388160545.db2.gz XXJTUVCPTZAFOU-UHFFFAOYSA-N 0 1 243.301 2.236 20 0 BEADMN CCC[N@@H+](CCCc1ccsc1)CC(=O)[O-] ZINC000455612155 388164928 /nfs/dbraw/zinc/16/49/28/388164928.db2.gz AQJVADGIPFWWSD-UHFFFAOYSA-N 0 1 241.356 2.477 20 0 BEADMN COc1nccnc1CN1CC2(CCC2)C[C@H]1C ZINC000449282985 388167001 /nfs/dbraw/zinc/16/70/01/388167001.db2.gz JOHDBEZKSBFGAK-LLVKDONJSA-N 0 1 247.342 2.250 20 0 BEADMN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC000646252558 388170790 /nfs/dbraw/zinc/17/07/90/388170790.db2.gz QHLGTTYGLJCBDI-MNOVXSKESA-N 0 1 221.348 2.478 20 0 BEADMN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC000646252559 388171046 /nfs/dbraw/zinc/17/10/46/388171046.db2.gz QHLGTTYGLJCBDI-QWRGUYRKSA-N 0 1 221.348 2.478 20 0 BEADMN CCC[C@@H](C(=O)N1CCc2nc[nH]c2C1)C(C)C ZINC000646259033 388172302 /nfs/dbraw/zinc/17/23/02/388172302.db2.gz AYNVBQUCLMDNSA-LLVKDONJSA-N 0 1 249.358 2.367 20 0 BEADMN CCOCC(C)(C)NCc1ccncc1F ZINC000449340348 388175730 /nfs/dbraw/zinc/17/57/30/388175730.db2.gz OABTUJCHVFYOPU-UHFFFAOYSA-N 0 1 226.295 2.125 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(C)cc1OC ZINC000449340861 388176119 /nfs/dbraw/zinc/17/61/19/388176119.db2.gz QOTUVIGZWMQPOV-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1CC=CCC1)C1COC1 ZINC000449350162 388179074 /nfs/dbraw/zinc/17/90/74/388179074.db2.gz IRPMBLYTSIGUOU-GFCCVEGCSA-N 0 1 209.333 2.452 20 0 BEADMN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)COC)[nH]1 ZINC000488470997 388181275 /nfs/dbraw/zinc/18/12/75/388181275.db2.gz CEDFJDHKKNQUDW-GUBZILKMSA-N 0 1 240.351 2.004 20 0 BEADMN CC[C@H](N[C@@H](C)[C@H]1CCOC1)C(F)F ZINC000449361049 388181599 /nfs/dbraw/zinc/18/15/99/388181599.db2.gz KKPCKAVPZBHBQT-CIUDSAMLSA-N 0 1 207.264 2.045 20 0 BEADMN CCN(CC(=O)NC(C)(C)C1CCC1)C1CC1 ZINC000456147935 388181894 /nfs/dbraw/zinc/18/18/94/388181894.db2.gz PJZUVSQEDCLAAU-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](N[C@@H](C)C1CCOCC1)C(F)F ZINC000449362560 388182729 /nfs/dbraw/zinc/18/27/29/388182729.db2.gz NGDSOXDZDKCPPS-WPRPVWTQSA-N 0 1 221.291 2.435 20 0 BEADMN CCC[C@H](CNCc1ccn(C(F)F)n1)OC ZINC000449372787 388185323 /nfs/dbraw/zinc/18/53/23/388185323.db2.gz ALRADHKXFVQBSC-SNVBAGLBSA-N 0 1 247.289 2.183 20 0 BEADMN CCC[C@@](C)(O)CNCc1csc(C)n1 ZINC000163992206 388121941 /nfs/dbraw/zinc/12/19/41/388121941.db2.gz CSWRWZHUCOSNJQ-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN Cc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cn1 ZINC000646019623 388125610 /nfs/dbraw/zinc/12/56/10/388125610.db2.gz QBYIBZCVMIGCPP-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1ccncc1F ZINC000449014254 388130289 /nfs/dbraw/zinc/13/02/89/388130289.db2.gz OUNVCPDXIPLAEF-SECBINFHSA-N 0 1 208.280 2.451 20 0 BEADMN COc1nccnc1CN1CCC(C)(C)CC1 ZINC000449023752 388131926 /nfs/dbraw/zinc/13/19/26/388131926.db2.gz ULDYRDUJPQNBOW-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)[C@H](NCC(F)F)C1(CO)CC=CC1 ZINC000646083804 388139324 /nfs/dbraw/zinc/13/93/24/388139324.db2.gz BLPCFONLRWEXER-NSHDSACASA-N 0 1 233.302 2.194 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)CC1CCC1 ZINC000449122490 388145079 /nfs/dbraw/zinc/14/50/79/388145079.db2.gz LQMHZEZWMDPRTP-AWEZNQCLSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CNCc1ncc(C)s1 ZINC000449144348 388148596 /nfs/dbraw/zinc/14/85/96/388148596.db2.gz ZLHQIRXSCULOPB-CABZTGNLSA-N 0 1 242.388 2.338 20 0 BEADMN FC1(F)C[C@H]2CN([C@H]3C=CCCC3)CCN2C1 ZINC000645938201 388253184 /nfs/dbraw/zinc/25/31/84/388253184.db2.gz UYASFSSXSVTYCY-RYUDHWBXSA-N 0 1 242.313 2.120 20 0 BEADMN CC(C)CCC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000165507172 388253221 /nfs/dbraw/zinc/25/32/21/388253221.db2.gz FXLRGHYRQQXIGL-JTQLQIEISA-N 0 1 201.310 2.075 20 0 BEADMN Cc1nc(C)c(CN2CC[C@@H](OC(C)C)C2)o1 ZINC000645944710 388256412 /nfs/dbraw/zinc/25/64/12/388256412.db2.gz XCMWSQDYYKJQKM-GFCCVEGCSA-N 0 1 238.331 2.291 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NC(CF)CF)CCO1 ZINC000449382385 388188977 /nfs/dbraw/zinc/18/89/77/388188977.db2.gz WLQDVGVFZDPDPF-ONGXEEELSA-N 0 1 221.291 2.087 20 0 BEADMN CC(C)[C@@H]1C[C@H](NC(CF)CF)CCO1 ZINC000449382381 388189036 /nfs/dbraw/zinc/18/90/36/388189036.db2.gz WLQDVGVFZDPDPF-KOLCDFICSA-N 0 1 221.291 2.087 20 0 BEADMN Cc1ccoc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488580032 388189162 /nfs/dbraw/zinc/18/91/62/388189162.db2.gz KDLOXJWXQGZMMT-CYBMUJFWSA-N 0 1 236.359 2.360 20 0 BEADMN CC(C)CCN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000488580894 388189383 /nfs/dbraw/zinc/18/93/83/388189383.db2.gz LHZHBQLMIOGFTN-ZDUSSCGKSA-N 0 1 240.391 2.221 20 0 BEADMN CCC1(CNC(CF)CF)CCOCC1 ZINC000449382950 388189588 /nfs/dbraw/zinc/18/95/88/388189588.db2.gz ZFPZRKFAKUCCLF-UHFFFAOYSA-N 0 1 221.291 2.090 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)CC(C)(C)C ZINC000456349245 388196608 /nfs/dbraw/zinc/19/66/08/388196608.db2.gz LBGADNRAAQWUQW-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)CC1(C)CC1 ZINC000456369777 388197234 /nfs/dbraw/zinc/19/72/34/388197234.db2.gz GAIWHSAQYKTEOW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCC1(NCc2ncc(COC)s2)CC1 ZINC000449417501 388199785 /nfs/dbraw/zinc/19/97/85/388199785.db2.gz YLQPGPBYDWPSHD-UHFFFAOYSA-N 0 1 226.345 2.322 20 0 BEADMN COc1ccc(CN2CC[C@H]2C2CC2)cn1 ZINC000449430060 388203906 /nfs/dbraw/zinc/20/39/06/388203906.db2.gz VWKDYLUSFIDAQT-LBPRGKRZSA-N 0 1 218.300 2.075 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456524780 388205570 /nfs/dbraw/zinc/20/55/70/388205570.db2.gz GQQQIVROXRTKKX-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)CC2CCC2)CC1 ZINC000456533736 388206326 /nfs/dbraw/zinc/20/63/26/388206326.db2.gz RMPWUILXJQTGAP-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN FCC1(NCc2cccc(F)c2)CCOCC1 ZINC000449446313 388208341 /nfs/dbraw/zinc/20/83/41/388208341.db2.gz QMTYVNAPQDPXEH-UHFFFAOYSA-N 0 1 241.281 2.434 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489340970 388208414 /nfs/dbraw/zinc/20/84/14/388208414.db2.gz QXVKMNMBAIFPGV-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CN(CC(=O)NC1CCCCC1)[C@@H]1CC1(C)C ZINC000489417135 388212934 /nfs/dbraw/zinc/21/29/34/388212934.db2.gz WAAWUEHAHAUCAH-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)o1 ZINC000489432651 388213596 /nfs/dbraw/zinc/21/35/96/388213596.db2.gz SVAZTFUCURVKRM-LLVKDONJSA-N 0 1 237.299 2.297 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@@H]2CC2(C)C)o1 ZINC000489432651 388213599 /nfs/dbraw/zinc/21/35/99/388213599.db2.gz SVAZTFUCURVKRM-LLVKDONJSA-N 0 1 237.299 2.297 20 0 BEADMN COc1ncccc1CN(C)[C@H]1CC1(C)C ZINC000489444195 388214765 /nfs/dbraw/zinc/21/47/65/388214765.db2.gz CTYFUUOTEQYUOZ-NSHDSACASA-N 0 1 220.316 2.321 20 0 BEADMN CCC(C)(C)NC(=O)CN(C)[C@H]1CC1(C)C ZINC000489468261 388215858 /nfs/dbraw/zinc/21/58/58/388215858.db2.gz HUUDOELTNMBVNS-JTQLQIEISA-N 0 1 226.364 2.022 20 0 BEADMN CO[C@@H]1CCN(Cc2ccnc(C)n2)CC1(C)C ZINC000449501541 388220276 /nfs/dbraw/zinc/22/02/76/388220276.db2.gz PVQSMZPUUHOYLL-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H](NCc1csc(C2CC2)n1)[C@H](C)O ZINC000449533075 388226115 /nfs/dbraw/zinc/22/61/15/388226115.db2.gz BAOIBKFFYZCGSN-KWQFWETISA-N 0 1 240.372 2.270 20 0 BEADMN c1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n[nH]1 ZINC000449539954 388226751 /nfs/dbraw/zinc/22/67/51/388226751.db2.gz MDPHXQYOOJKKAL-QWHCGFSZSA-N 0 1 217.316 2.030 20 0 BEADMN CCn1ncnc1CN(C)C1(C)CCCC1 ZINC000489875364 388227228 /nfs/dbraw/zinc/22/72/28/388227228.db2.gz RJGICDQDDSFDIL-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CC[C@H](C)[NH+]1CCN(C[C@H]2C[C@H]2C)CC1 ZINC000449633169 388246036 /nfs/dbraw/zinc/24/60/36/388246036.db2.gz SQJWWKIXIXKFNA-FRRDWIJNSA-N 0 1 210.365 2.059 20 0 BEADMN CC[C@@H](C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000449629596 388246338 /nfs/dbraw/zinc/24/63/38/388246338.db2.gz KVYPWUJPOSQQRN-CHWSQXEVSA-N 0 1 212.381 2.449 20 0 BEADMN CCCCCOC1CN(CC[C@H]2CCOC2)C1 ZINC000459590330 388246539 /nfs/dbraw/zinc/24/65/39/388246539.db2.gz IVSXEIALOXQERN-ZDUSSCGKSA-N 0 1 241.375 2.304 20 0 BEADMN CO[C@@H]1CCN([C@H](C)c2ncc(C)o2)C[C@@H]1C ZINC000451563993 388282216 /nfs/dbraw/zinc/28/22/16/388282216.db2.gz KJLJFTOPPLLBLV-MVWJERBFSA-N 0 1 238.331 2.401 20 0 BEADMN COC(=O)[C@@H](C)N1CCCc2ccccc2CC1 ZINC000451711449 388290697 /nfs/dbraw/zinc/29/06/97/388290697.db2.gz ORDXKCZBJHPCPT-GFCCVEGCSA-N 0 1 247.338 2.039 20 0 BEADMN CC[C@H](F)CN1CC[N@@H+](CC)C[C@H]1CC ZINC000451740946 388293025 /nfs/dbraw/zinc/29/30/25/388293025.db2.gz MXCQLJOCMHJFJP-NWDGAFQWSA-N 0 1 216.344 2.151 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H]2CC23CCC3)[nH]1 ZINC001645476486 1172672121 /nfs/dbraw/zinc/67/21/21/1172672121.db2.gz OFEYCBPIUZGPTO-NSHDSACASA-N 0 1 247.342 2.340 20 0 BEADMN CCCCCN1CC[S@](=O)C(C)(C)CC1 ZINC000451756102 388293931 /nfs/dbraw/zinc/29/39/31/388293931.db2.gz LRROLUDUHAVMJP-HNNXBMFYSA-N 0 1 231.405 2.410 20 0 BEADMN COCC(C)(C)CN=c1cc(C(C)(C)C)o[nH]1 ZINC000491891788 388326416 /nfs/dbraw/zinc/32/64/16/388326416.db2.gz LUILHTLSDKFPKI-UHFFFAOYSA-N 0 1 240.347 2.479 20 0 BEADMN O=C(C=CC1CC1)NCc1nc2ccccc2[nH]1 ZINC000491936907 388328549 /nfs/dbraw/zinc/32/85/49/388328549.db2.gz HQBLZKLHDLPANT-FPLPWBNLSA-N 0 1 241.294 2.145 20 0 BEADMN CN(CCOCC(F)(F)F)Cc1ccccn1 ZINC000451369704 388266073 /nfs/dbraw/zinc/26/60/73/388266073.db2.gz BYHRVYHLNQZOLY-UHFFFAOYSA-N 0 1 248.248 2.092 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC23CCCC3)n1 ZINC000451463592 388275345 /nfs/dbraw/zinc/27/53/45/388275345.db2.gz XPGLMTVOCQPQRX-LLVKDONJSA-N 0 1 247.342 2.298 20 0 BEADMN CCO[C@@H]1CCN(Cc2cc(C)no2)C[C@@H]1C ZINC000451529721 388279916 /nfs/dbraw/zinc/27/99/16/388279916.db2.gz RPYCTQMLMLMBLI-GXFFZTMASA-N 0 1 238.331 2.230 20 0 BEADMN C[C@H](CO)[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293652806 388356536 /nfs/dbraw/zinc/35/65/36/388356536.db2.gz SPUSQFJEUSFGGL-BDAKNGLRSA-N 0 1 243.734 2.152 20 0 BEADMN C[C@H]1CN(Cc2ccc(CO)cc2)CC(C)(C)O1 ZINC000163423882 388362103 /nfs/dbraw/zinc/36/21/03/388362103.db2.gz QLGFYJABEAXIDI-LBPRGKRZSA-N 0 1 249.354 2.178 20 0 BEADMN C[C@@H](C(=O)NCC(C)(F)F)N1[C@H](C)CC[C@H]1C ZINC000516593857 388366627 /nfs/dbraw/zinc/36/66/27/388366627.db2.gz IEYNDQFKNDHVQQ-BBBLOLIVSA-N 0 1 248.317 2.019 20 0 BEADMN CN(C)CC(=O)NCCCC1CCCCC1 ZINC000193555064 388375423 /nfs/dbraw/zinc/37/54/23/388375423.db2.gz PGQDSABMSVZADK-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000572827000 388378903 /nfs/dbraw/zinc/37/89/03/388378903.db2.gz PEPHCQDWTNPYEY-LBPRGKRZSA-N 0 1 233.359 2.169 20 0 BEADMN C[C@@H](C[N@@H+](C1CC1)[C@@H]1C=CCCC1)C(=O)[O-] ZINC000572890751 388383954 /nfs/dbraw/zinc/38/39/54/388383954.db2.gz JTJWSAJAWSSSCC-WDEREUQCSA-N 0 1 223.316 2.280 20 0 BEADMN CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236874165 388384208 /nfs/dbraw/zinc/38/42/08/388384208.db2.gz GQDQFOYHSQDZHR-VHSXEESVSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)(O)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000293301586 388387926 /nfs/dbraw/zinc/38/79/26/388387926.db2.gz PNUHNYRBJQHWGL-UHFFFAOYSA-N 0 1 243.734 2.296 20 0 BEADMN CC(C)[C@@H](O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293501627 388389017 /nfs/dbraw/zinc/38/90/17/388389017.db2.gz HIIZKNFOTMFHDS-NSHDSACASA-N 0 1 243.734 2.152 20 0 BEADMN CC(C)[C@H](O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293501625 388389944 /nfs/dbraw/zinc/38/99/44/388389944.db2.gz HIIZKNFOTMFHDS-LLVKDONJSA-N 0 1 243.734 2.152 20 0 BEADMN CO[C@H](CN[C@H](C)c1cscn1)C1CC1 ZINC000293715135 388390193 /nfs/dbraw/zinc/39/01/93/388390193.db2.gz NAVUARQYLWQCNR-LDYMZIIASA-N 0 1 226.345 2.219 20 0 BEADMN CC(C)=CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000293902317 388392721 /nfs/dbraw/zinc/39/27/21/388392721.db2.gz HIQQLWOLUCNBKH-QWRGUYRKSA-N 0 1 205.305 2.445 20 0 BEADMN C[C@H]1[C@@H](O)CCCN1Cc1cc(F)cc(F)c1 ZINC000294972917 388406607 /nfs/dbraw/zinc/40/66/07/388406607.db2.gz JFRHFBRCQDLBEI-ZANVPECISA-N 0 1 241.281 2.310 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1cscn1)OC ZINC000294169436 388395339 /nfs/dbraw/zinc/39/53/39/388395339.db2.gz JCUXOHVSVXRODJ-KOLCDFICSA-N 0 1 228.361 2.294 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000174372127 388397261 /nfs/dbraw/zinc/39/72/61/388397261.db2.gz RGUHOGXOAAJXKC-JQWIXIFHSA-N 0 1 233.315 2.123 20 0 BEADMN C[C@@H]1CC[C@@]2(CC[N@H+]([C@@H](C(=O)[O-])C3CC3)C2)C1 ZINC000572967744 388400312 /nfs/dbraw/zinc/40/03/12/388400312.db2.gz SQMXLVRZIBNMBF-MPKXVKKWSA-N 0 1 237.343 2.362 20 0 BEADMN CCCN(Cc1nnc(CC)o1)C(C)C ZINC000572982024 388402691 /nfs/dbraw/zinc/40/26/91/388402691.db2.gz ITNSNAFLUSHAKD-UHFFFAOYSA-N 0 1 211.309 2.252 20 0 BEADMN CCC1(NCc2ncc(Cl)n2C)CC1 ZINC000294731363 388403165 /nfs/dbraw/zinc/40/31/65/388403165.db2.gz GIVGJUMYISUQIK-UHFFFAOYSA-N 0 1 213.712 2.106 20 0 BEADMN CCCC[N@@H+](C)CCNC(=O)/C=C/C1CCC1 ZINC000492098041 388334984 /nfs/dbraw/zinc/33/49/84/388334984.db2.gz YVLNUGHGYMONKQ-CMDGGOBGSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H]2C)c1 ZINC000267684082 177755138 /nfs/dbraw/zinc/75/51/38/177755138.db2.gz DXMBNUSYSPDPQI-JTQLQIEISA-N 0 1 243.310 2.496 20 0 BEADMN O=C(C=CC1CCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000492116253 388335727 /nfs/dbraw/zinc/33/57/27/388335727.db2.gz GXRCGAMPXXDENN-ABZNLYFFSA-N 0 1 245.326 2.260 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCN(C)C[C@H]1C)CC ZINC000492133857 388335812 /nfs/dbraw/zinc/33/58/12/388335812.db2.gz JCWLYYBQLKUHMU-PCYXFFJYSA-N 0 1 236.359 2.061 20 0 BEADMN CC[C@](C)(CN[C@H]1C[C@@H](C)n2ccnc21)OC ZINC000322595525 388439745 /nfs/dbraw/zinc/43/97/45/388439745.db2.gz HEHPSOOQEICTTG-NTZNESFSSA-N 0 1 237.347 2.294 20 0 BEADMN CC[C@](C)(CNCc1nc(C)cs1)OC ZINC000322630130 388442355 /nfs/dbraw/zinc/44/23/55/388442355.db2.gz QSGUJZVCBQSNAF-LLVKDONJSA-N 0 1 228.361 2.356 20 0 BEADMN C[C@@H]1C[C@H](NCc2c(Cl)cnn2C)CS1 ZINC000334851949 388447243 /nfs/dbraw/zinc/44/72/43/388447243.db2.gz DHSQLDVOCBMKIS-SFYZADRCSA-N 0 1 245.779 2.057 20 0 BEADMN C/C(Cl)=C\CN1CCCO[C@H](C)C1 ZINC000528366378 388450425 /nfs/dbraw/zinc/45/04/25/388450425.db2.gz FLKMFYCBBNUBGV-WXLQGSQKSA-N 0 1 203.713 2.240 20 0 BEADMN C/C(Cl)=C\CN1CCCO[C@@H](C)C1 ZINC000528366376 388451033 /nfs/dbraw/zinc/45/10/33/388451033.db2.gz FLKMFYCBBNUBGV-LLGDCAAFSA-N 0 1 203.713 2.240 20 0 BEADMN Cc1ccc2nc(CNCC3(F)CC3)[nH]c2c1 ZINC000525996186 388452677 /nfs/dbraw/zinc/45/26/77/388452677.db2.gz IHZZAZZMCCHEIT-UHFFFAOYSA-N 0 1 233.290 2.463 20 0 BEADMN Cc1cnc(CN[C@@]2(C)CCCOC2)s1 ZINC000335660277 388452913 /nfs/dbraw/zinc/45/29/13/388452913.db2.gz AFLOWJNQPJLJRO-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN COC[C@H](CC(C)C)NCc1ncccc1F ZINC000525997935 388453405 /nfs/dbraw/zinc/45/34/05/388453405.db2.gz CHTADFWPQRTIOK-NSHDSACASA-N 0 1 240.322 2.371 20 0 BEADMN C[C@@H]1OCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000336318628 388456724 /nfs/dbraw/zinc/45/67/24/388456724.db2.gz LTIWOBSXFOORLV-JOYOIKCWSA-N 0 1 218.300 2.160 20 0 BEADMN Cc1cccn2cc(CSc3c[nH]nn3)nc12 ZINC000177364702 388481640 /nfs/dbraw/zinc/48/16/40/388481640.db2.gz DRYSGTJVDKZKMA-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN C[C@@H]1[C@H](O)CCCN1Cc1ccc(F)c(F)c1 ZINC000295131217 388409211 /nfs/dbraw/zinc/40/92/11/388409211.db2.gz YKWRNRBOJOEDFO-NOZJJQNGSA-N 0 1 241.281 2.310 20 0 BEADMN CC[C@H]1CC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000166410592 388426140 /nfs/dbraw/zinc/42/61/40/388426140.db2.gz QHPUHSDHIXEWDB-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000173597150 388426131 /nfs/dbraw/zinc/42/61/31/388426131.db2.gz CGUXZDDCADKRQR-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN CCOC(=O)CN1CC[C@@H](CC(C)(C)C)C1 ZINC000307817285 388427994 /nfs/dbraw/zinc/42/79/94/388427994.db2.gz MXLQGMORIOUGTJ-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000175228998 388428039 /nfs/dbraw/zinc/42/80/39/388428039.db2.gz JRQGTNAJTIYQOY-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nn(C)cc1CN1CCS[C@@H](C)[C@H]1C ZINC000245740545 388430526 /nfs/dbraw/zinc/43/05/26/388430526.db2.gz LQINHSOGMVEEOI-MNOVXSKESA-N 0 1 239.388 2.054 20 0 BEADMN CCOC1CC(CN2CC(C(F)(F)F)C2)C1 ZINC000573196598 388430986 /nfs/dbraw/zinc/43/09/86/388430986.db2.gz URRKPBZBQFWREL-UHFFFAOYSA-N 0 1 237.265 2.296 20 0 BEADMN Cc1cccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)[nH+]1 ZINC000573210107 388432433 /nfs/dbraw/zinc/43/24/33/388432433.db2.gz BOIBMGSLQOZELI-LLVKDONJSA-N 0 1 246.310 2.081 20 0 BEADMN CCC[C@H](NCc1nc(C)no1)C1CCC1 ZINC000322401687 388434533 /nfs/dbraw/zinc/43/45/33/388434533.db2.gz SFIUFBNIHYXZPY-NSHDSACASA-N 0 1 223.320 2.436 20 0 BEADMN CCN(C/C=C(\C)Cl)[C@H]1CCOC1 ZINC000528505384 388537209 /nfs/dbraw/zinc/53/72/09/388537209.db2.gz CACPAVISDLQUCH-LLGDCAAFSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000517172215 388541062 /nfs/dbraw/zinc/54/10/62/388541062.db2.gz UZFMMTOHNZADPT-QWRGUYRKSA-N 0 1 237.347 2.093 20 0 BEADMN C/C(Cl)=C\C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000528523432 388542521 /nfs/dbraw/zinc/54/25/21/388542521.db2.gz XLJBFXJGPXIUPY-BJMVGYQFSA-N 0 1 239.750 2.311 20 0 BEADMN c1cc(CNCc2cnc3ccccn23)co1 ZINC000194242843 388483544 /nfs/dbraw/zinc/48/35/44/388483544.db2.gz AEXDGICXVHHCSA-UHFFFAOYSA-N 0 1 227.267 2.217 20 0 BEADMN Cc1nccc(NCC[C@@H](C)CCO)c1Cl ZINC000397623476 388484874 /nfs/dbraw/zinc/48/48/74/388484874.db2.gz HQEGHDZSQCAKTH-SECBINFHSA-N 0 1 242.750 2.286 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1cccc2cc[nH]c21 ZINC000547817171 388488406 /nfs/dbraw/zinc/48/84/06/388488406.db2.gz KCWUMZURWSBIEY-LBPRGKRZSA-N 0 1 243.310 2.201 20 0 BEADMN CCOC[C@@H](C)NCc1c(CC)noc1C ZINC000340439351 388491014 /nfs/dbraw/zinc/49/10/14/388491014.db2.gz JDNMATMWJABHFT-SECBINFHSA-N 0 1 226.320 2.060 20 0 BEADMN C[C@@H](C(=O)NCC(C)(F)F)N1[C@H](C)CC[C@@H]1C ZINC000516593854 256794589 /nfs/dbraw/zinc/79/45/89/256794589.db2.gz IEYNDQFKNDHVQQ-AEJSXWLSSA-N 0 1 248.317 2.019 20 0 BEADMN CC(C)n1cc(CN[C@H]2CC23CCCC3)nn1 ZINC000342153905 388496856 /nfs/dbraw/zinc/49/68/56/388496856.db2.gz IQVFFZPRRDVOHF-LBPRGKRZSA-N 0 1 234.347 2.281 20 0 BEADMN CCc1cc(C(=O)N2CCC(C3CC3)CC2)n[nH]1 ZINC000646774618 388497159 /nfs/dbraw/zinc/49/71/59/388497159.db2.gz OOFZSLRNGUELLM-UHFFFAOYSA-N 0 1 247.342 2.234 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)CN1CCC(C)CC1 ZINC000178232617 388497668 /nfs/dbraw/zinc/49/76/68/388497668.db2.gz VXABWRLSWHNMQA-ZDUSSCGKSA-N 0 1 240.391 2.127 20 0 BEADMN CCN(CC(=O)Nc1ccc(C)cc1)C1CC1 ZINC000078344416 388498359 /nfs/dbraw/zinc/49/83/59/388498359.db2.gz GYYUODLZWULMAN-UHFFFAOYSA-N 0 1 232.327 2.418 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cnccc1C ZINC000135552750 388499952 /nfs/dbraw/zinc/49/99/52/388499952.db2.gz ATGVBBNYSHGSQN-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1nc([C@@H](C)Nc2cc(C(C)C)ncn2)n[nH]1 ZINC000343945739 388503293 /nfs/dbraw/zinc/50/32/93/388503293.db2.gz FZLMRPWKPRONBD-MRVPVSSYSA-N 0 1 246.318 2.200 20 0 BEADMN C[C@H](NCC(C)(F)F)[C@H]1CCCOC1 ZINC000378791834 388505317 /nfs/dbraw/zinc/50/53/17/388505317.db2.gz NFFQIXMFXRGUMA-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CC[C@@]1(C)CCN(CC(=O)c2cccn2C)C1 ZINC000344283713 388505813 /nfs/dbraw/zinc/50/58/13/388505813.db2.gz ZRVKCJLWURHEKY-AWEZNQCLSA-N 0 1 234.343 2.330 20 0 BEADMN CC[C@]1(C)CCN(CC(=O)c2cccn2C)C1 ZINC000344283714 388505860 /nfs/dbraw/zinc/50/58/60/388505860.db2.gz ZRVKCJLWURHEKY-CQSZACIVSA-N 0 1 234.343 2.330 20 0 BEADMN Cc1csc(CNCc2cncnc2)c1 ZINC000344610750 388507818 /nfs/dbraw/zinc/50/78/18/388507818.db2.gz LIXLGCPEQIXDRY-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCO[C@@H]2C2CC2)c2nccn21 ZINC000345352485 388511628 /nfs/dbraw/zinc/51/16/28/388511628.db2.gz JNSNVKNAUVUZOW-FOUMNBMASA-N 0 1 247.342 2.046 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCO[C@@H]2C2CC2)c2nccn21 ZINC000345352489 388511797 /nfs/dbraw/zinc/51/17/97/388511797.db2.gz JNSNVKNAUVUZOW-LPTSXCQYSA-N 0 1 247.342 2.046 20 0 BEADMN CC(C)CN(C(=O)CN1[C@@H](C)C[C@@H]1C)C1CC1 ZINC000548098276 388512339 /nfs/dbraw/zinc/51/23/39/388512339.db2.gz LRXOEGHJDCDENR-RYUDHWBXSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1C[C@H](NCCOC2CCCC2)c2nccn21 ZINC000345344054 388512412 /nfs/dbraw/zinc/51/24/12/388512412.db2.gz ADBJEAPNAJTFST-YPMHNXCESA-N 0 1 249.358 2.438 20 0 BEADMN Cc1nccc(NC[C@@H]2CC[C@H](C)O2)c1Cl ZINC000398053036 388516554 /nfs/dbraw/zinc/51/65/54/388516554.db2.gz GNODTJKJWKNGHM-WPRPVWTQSA-N 0 1 240.734 2.445 20 0 BEADMN CCC(C)(C)N(C)Cc1cc(C(C)=O)no1 ZINC000516781642 388517224 /nfs/dbraw/zinc/51/72/24/388517224.db2.gz MWJBMBXUWPZLFW-UHFFFAOYSA-N 0 1 224.304 2.498 20 0 BEADMN C/C(Cl)=C/CN1CCC[C@@H](n2cncn2)C1 ZINC000528376611 388517980 /nfs/dbraw/zinc/51/79/80/388517980.db2.gz FHJMCICSRCCVGP-NEOSZVFXSA-N 0 1 240.738 2.058 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@@H]2CCCOC2)oc1C ZINC000348140594 388525541 /nfs/dbraw/zinc/52/55/41/388525541.db2.gz KZINLYAGDZDULX-CMPLNLGQSA-N 0 1 238.331 2.196 20 0 BEADMN Cc1ccoc1CN[C@H]1C[C@@H]1C(F)F ZINC000348167063 388526841 /nfs/dbraw/zinc/52/68/41/388526841.db2.gz CLDHDUZLKWGOLX-YUMQZZPRSA-N 0 1 201.216 2.331 20 0 BEADMN CC[N@H+](Cc1ncccc1[O-])C1CCC1 ZINC000517435591 388550362 /nfs/dbraw/zinc/55/03/62/388550362.db2.gz FSVOICLXLWAXTJ-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CC[N@@H+](Cc1ncccc1[O-])C1CCC1 ZINC000517435591 388550364 /nfs/dbraw/zinc/55/03/64/388550364.db2.gz FSVOICLXLWAXTJ-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CC(C)C[C@@H](C)N(C)C(=O)CN1[C@H](C)C[C@@H]1C ZINC000548426840 388536826 /nfs/dbraw/zinc/53/68/26/388536826.db2.gz NGEJWWMRNJKZLJ-UPJWGTAASA-N 0 1 240.391 2.362 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H](C)CC(F)F)c1C ZINC000648961411 388587114 /nfs/dbraw/zinc/58/71/14/388587114.db2.gz BWGLWXWSKSCQHU-LURJTMIESA-N 0 1 245.273 2.048 20 0 BEADMN COC(=O)c1cc(CN2C[C@H](C)[C@H]2C)c(C)o1 ZINC000549921749 388594855 /nfs/dbraw/zinc/59/48/55/388594855.db2.gz NZULTSYIPGNOFW-DTWKUNHWSA-N 0 1 237.299 2.215 20 0 BEADMN Cc1ccnc(CN(CC2CC2)C(C)C)n1 ZINC000550009060 388596323 /nfs/dbraw/zinc/59/63/23/388596323.db2.gz SMIMXUJEMWYUCQ-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN COC(=O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000186047711 388596985 /nfs/dbraw/zinc/59/69/85/388596985.db2.gz PRWGYAXRHSNLDR-HNNXBMFYSA-N 0 1 247.338 2.257 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530164027 388617961 /nfs/dbraw/zinc/61/79/61/388617961.db2.gz BSZVLHNLYKVLAM-MWLCHTKSSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530029016 388605426 /nfs/dbraw/zinc/60/54/26/388605426.db2.gz LMRLPBONSZKZJQ-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530030936 388606386 /nfs/dbraw/zinc/60/63/86/388606386.db2.gz YPGJCTNRYYVVBJ-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000245845421 388607534 /nfs/dbraw/zinc/60/75/34/388607534.db2.gz KZIDSXMKEMOKNG-VXGBXAGGSA-N 0 1 249.420 2.178 20 0 BEADMN CCC[C@@H](C)CN(C)[C@H](C)CS(=O)(=O)CC ZINC000245845421 388607535 /nfs/dbraw/zinc/60/75/35/388607535.db2.gz KZIDSXMKEMOKNG-VXGBXAGGSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1noc(C23CC(C2)CN3CCC(C)C)n1 ZINC000528631372 388553836 /nfs/dbraw/zinc/55/38/36/388553836.db2.gz NKCIKSAOROTEGN-UHFFFAOYSA-N 0 1 235.331 2.345 20 0 BEADMN CCC[C@H](C(=O)OCC)N(CC)C[C@H](C)OC ZINC000361559968 388560496 /nfs/dbraw/zinc/56/04/96/388560496.db2.gz YTTBZCFOVPUORS-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@H]2CCCC[C@@H]12 ZINC000521073495 388562256 /nfs/dbraw/zinc/56/22/56/388562256.db2.gz WQFKUHPEOKNAIE-MDZLAQPJSA-N 0 1 247.342 2.451 20 0 BEADMN Cl/C=C\CN1CCc2nc(C3CC3)ncc2C1 ZINC000528736048 388563946 /nfs/dbraw/zinc/56/39/46/388563946.db2.gz BBZZPUADCUNZOV-KTAJNNJTSA-N 0 1 249.745 2.465 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1Cc1cnn(C)c1 ZINC000528771727 388571626 /nfs/dbraw/zinc/57/16/26/388571626.db2.gz ZJPCLYSHMGMKPN-SECBINFHSA-N 0 1 229.274 2.040 20 0 BEADMN C[C@@H]1CC(F)(F)CC[N@H+]1CCc1ccnn1C ZINC000528774744 388571792 /nfs/dbraw/zinc/57/17/92/388571792.db2.gz WDBXNAGUJQMIMG-SNVBAGLBSA-N 0 1 243.301 2.082 20 0 BEADMN Cc1cccnc1CN1CC[C@H](OC(F)F)C1 ZINC000549078609 388572127 /nfs/dbraw/zinc/57/21/27/388572127.db2.gz AUVFQNAWAMGIFX-JTQLQIEISA-N 0 1 242.269 2.204 20 0 BEADMN C[C@H](NCCOC1CCC1)c1ncccc1F ZINC000528823568 388576568 /nfs/dbraw/zinc/57/65/68/388576568.db2.gz LDRDXGQAMQQEID-JTQLQIEISA-N 0 1 238.306 2.440 20 0 BEADMN CCc1nnc(NC(=O)C[C@H](C)c2ccco2)[nH]1 ZINC000528842238 388578647 /nfs/dbraw/zinc/57/86/47/388578647.db2.gz ZSSIKFTXZDUTPN-QMMMGPOBSA-N 0 1 248.286 2.092 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H](C)c2ccco2)n1 ZINC000528842238 388578649 /nfs/dbraw/zinc/57/86/49/388578649.db2.gz ZSSIKFTXZDUTPN-QMMMGPOBSA-N 0 1 248.286 2.092 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](CC)C2)o1 ZINC000125163629 388670047 /nfs/dbraw/zinc/67/00/47/388670047.db2.gz SXMVDDYOCHLYIV-UWVGGRQHSA-N 0 1 223.320 2.425 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530163129 388618515 /nfs/dbraw/zinc/61/85/15/388618515.db2.gz MEKPPRXSUGGIQL-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168392 388619122 /nfs/dbraw/zinc/61/91/22/388619122.db2.gz LLOJRIIMPZIGLN-UHFFFAOYSA-N 0 1 237.274 2.290 20 0 BEADMN CC1(C)CC(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000530166571 388619233 /nfs/dbraw/zinc/61/92/33/388619233.db2.gz QYCZLFFOGLFHAP-ZDUSSCGKSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCC1CC1 ZINC000530173422 388620298 /nfs/dbraw/zinc/62/02/98/388620298.db2.gz FLXYALGINHVRRQ-PEGIJTEDSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@@H]1CC(F)(F)CC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000530174065 388620770 /nfs/dbraw/zinc/62/07/70/388620770.db2.gz TUXGDCBIANTWTC-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@@H]1CC(C(=O)[O-])C[C@H](C)[N@@H+]1C/C=C\Cl ZINC000530177026 388622016 /nfs/dbraw/zinc/62/20/16/388622016.db2.gz WDJHCGOFXATWTO-HQRTVKKKSA-N 0 1 231.723 2.313 20 0 BEADMN Fc1cccc(CNCC2=CCCOC2)c1F ZINC000288471224 388626822 /nfs/dbraw/zinc/62/68/22/388626822.db2.gz OZDNUODKCMXFCY-UHFFFAOYSA-N 0 1 239.265 2.401 20 0 BEADMN C[C@@H]1SCCN(CCOCC(F)F)[C@H]1C ZINC000189356477 388632285 /nfs/dbraw/zinc/63/22/85/388632285.db2.gz BCPQPUOKVPYRLC-IUCAKERBSA-N 0 1 239.331 2.094 20 0 BEADMN CCN(C[C@@H](O)C(F)(F)F)[C@H]1C=CCCC1 ZINC000189441375 388633025 /nfs/dbraw/zinc/63/30/25/388633025.db2.gz DAZASXVBLXJBFT-VHSXEESVSA-N 0 1 237.265 2.340 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=Cc1ccccc1 ZINC000037990281 388650998 /nfs/dbraw/zinc/65/09/98/388650998.db2.gz LWRLGYUIUHJKIH-BQYQJAHWSA-N 0 1 241.294 2.048 20 0 BEADMN CC(C)C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000307805031 388652200 /nfs/dbraw/zinc/65/22/00/388652200.db2.gz FMFPPTUNFHOBJG-CMPLNLGQSA-N 0 1 225.332 2.218 20 0 BEADMN CC[N@@H+](CC(=O)NC(C)(C)C(C)C)C1CC1 ZINC000552004473 388655810 /nfs/dbraw/zinc/65/58/10/388655810.db2.gz KXZZKUUWGUPWSX-UHFFFAOYSA-N 0 1 226.364 2.022 20 0 BEADMN CCN(CC(=O)NC(C)(C)C(C)C)C1CC1 ZINC000552004473 388655813 /nfs/dbraw/zinc/65/58/13/388655813.db2.gz KXZZKUUWGUPWSX-UHFFFAOYSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)c1ccc(F)cc1O ZINC000123787534 388656855 /nfs/dbraw/zinc/65/68/55/388656855.db2.gz QWBGPGAANJJIPL-QMMMGPOBSA-N 0 1 237.274 2.450 20 0 BEADMN O=C(NCCCC1CC1)c1ccc(F)cc1O ZINC000123864032 388658219 /nfs/dbraw/zinc/65/82/19/388658219.db2.gz GGIDPPDUZLDBSQ-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnn(CC(F)F)c1 ZINC000552029201 388662518 /nfs/dbraw/zinc/66/25/18/388662518.db2.gz PVFTZVBGIJTYGL-DTORHVGOSA-N 0 1 229.274 2.131 20 0 BEADMN CSc1nn(CC2CCCCCC2)c(=O)[nH]1 ZINC000194579792 388735961 /nfs/dbraw/zinc/73/59/61/388735961.db2.gz SVDOMIVJARAKBC-UHFFFAOYSA-N 0 1 241.360 2.264 20 0 BEADMN CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433062532 388758049 /nfs/dbraw/zinc/75/80/49/388758049.db2.gz OUNNPIMKPNATCN-KGLIPLIRSA-N 0 1 246.354 2.130 20 0 BEADMN CCN(Cc1ccc(C)cc1)C(=O)c1cnc[nH]1 ZINC000522293715 388746767 /nfs/dbraw/zinc/74/67/67/388746767.db2.gz WFIIKUJMGFKHLO-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN CCN(Cc1nnc(C)o1)[C@@H](C)C(C)C ZINC000065298700 388689730 /nfs/dbraw/zinc/68/97/30/388689730.db2.gz CPCMSHMOHUNILW-VIFPVBQESA-N 0 1 211.309 2.244 20 0 BEADMN COCC1(NCc2cc(F)c(F)cc2F)CC1 ZINC000538422867 388689741 /nfs/dbraw/zinc/68/97/41/388689741.db2.gz RXBKWXOJWDOELV-UHFFFAOYSA-N 0 1 245.244 2.373 20 0 BEADMN CCCc1ccc(CN2CCC[C@H]2C(N)=O)cc1 ZINC000195025586 388694360 /nfs/dbraw/zinc/69/43/60/388694360.db2.gz BKNHBIRCIDUQKH-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN COc1ccc(CN[C@H](C)c2cncs2)cn1 ZINC000126395265 388695089 /nfs/dbraw/zinc/69/50/89/388695089.db2.gz DSEITJHQVBVTJH-SECBINFHSA-N 0 1 249.339 2.398 20 0 BEADMN CCc1cc(C(=O)N(C)CC2CCCC2)n[nH]1 ZINC000126750939 388700536 /nfs/dbraw/zinc/70/05/36/388700536.db2.gz UBVFQFAFIUZNPR-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN CC1(C)CC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000087256609 388700668 /nfs/dbraw/zinc/70/06/68/388700668.db2.gz YPUJNRMNUIOVIQ-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN COC[C@@H](C)CN1CCn2cccc2[C@H]1C ZINC000249179144 388711374 /nfs/dbraw/zinc/71/13/74/388711374.db2.gz HAYTWZZVSJBSGP-NWDGAFQWSA-N 0 1 222.332 2.147 20 0 BEADMN c1nc(CN2CCC[C@H]3CCC[C@H]32)co1 ZINC000249244195 388713161 /nfs/dbraw/zinc/71/31/61/388713161.db2.gz DMZIODLPKAKANM-ZYHUDNBSSA-N 0 1 206.289 2.439 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000249293135 388715159 /nfs/dbraw/zinc/71/51/59/388715159.db2.gz ASUHQUXGGIFBCN-MNOVXSKESA-N 0 1 236.363 2.378 20 0 BEADMN CC[N@@H+](CC(=O)N1CCc2ccccc21)C(C)C ZINC000194087170 388722924 /nfs/dbraw/zinc/72/29/24/388722924.db2.gz ZZTRWNNZJRBJGR-UHFFFAOYSA-N 0 1 246.354 2.306 20 0 BEADMN CCN(CC(=O)N1CCc2ccccc21)C(C)C ZINC000194087170 388722927 /nfs/dbraw/zinc/72/29/27/388722927.db2.gz ZZTRWNNZJRBJGR-UHFFFAOYSA-N 0 1 246.354 2.306 20 0 BEADMN Cc1cc(C[N@H+](CC(N)=O)C(C)C)c(C)s1 ZINC000194366658 388730544 /nfs/dbraw/zinc/73/05/44/388730544.db2.gz KGZQUZLOSAXVQY-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN Cc1cc(CN(CC(N)=O)C(C)C)c(C)s1 ZINC000194366658 388730545 /nfs/dbraw/zinc/73/05/45/388730545.db2.gz KGZQUZLOSAXVQY-UHFFFAOYSA-N 0 1 240.372 2.061 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@H]1CC2CCC1CC2 ZINC000554357244 388810782 /nfs/dbraw/zinc/81/07/82/388810782.db2.gz KWSNJTJTDXCWPI-XIVSLSHWSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@H](C)C1 ZINC000252543107 388767942 /nfs/dbraw/zinc/76/79/42/388767942.db2.gz GQKNYKFMVWIRTO-DTWKUNHWSA-N 0 1 223.272 2.381 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C[C@@H]1C ZINC000648742452 388776541 /nfs/dbraw/zinc/77/65/41/388776541.db2.gz XZIXYPOJKZBLMF-SMDDNHRTSA-N 0 1 235.327 2.249 20 0 BEADMN C[C@@H]1CN(CCc2ccncc2)CC(C)(C)O1 ZINC000068478289 388788520 /nfs/dbraw/zinc/78/85/20/388788520.db2.gz FTMBOZXIYIJQGE-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN Cc1csc(CN(C)C[C@H]2CCC[C@H]2O)n1 ZINC000270059165 388788714 /nfs/dbraw/zinc/78/87/14/388788714.db2.gz GTLXCPPRNLJNJS-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN COC[C@@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000554495848 388817150 /nfs/dbraw/zinc/81/71/50/388817150.db2.gz CZNMIPVIURPFFZ-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN CCCN(C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000069092333 388823518 /nfs/dbraw/zinc/82/35/18/388823518.db2.gz BVUJRWZVEUZNKQ-ZDUSSCGKSA-N 0 1 234.343 2.158 20 0 BEADMN CCC(O)(CC)CNCc1csc(C)n1 ZINC000069160683 388825424 /nfs/dbraw/zinc/82/54/24/388825424.db2.gz BXPXHIRATFUNBC-UHFFFAOYSA-N 0 1 228.361 2.092 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1csc(C)n1 ZINC000230639764 388827356 /nfs/dbraw/zinc/82/73/56/388827356.db2.gz RHZIWDCDRGGQDR-YUMQZZPRSA-N 0 1 214.334 2.137 20 0 BEADMN CCCc1cc(C(=O)N(C)C(C)(C)C)n[nH]1 ZINC000649119400 388829249 /nfs/dbraw/zinc/82/92/49/388829249.db2.gz PEBRZQSWUCKCPG-UHFFFAOYSA-N 0 1 223.320 2.233 20 0 BEADMN C[C@H](CN1CC[C@H](OC(F)F)C1)C(F)(F)F ZINC000555071380 388838806 /nfs/dbraw/zinc/83/88/06/388838806.db2.gz PHEDYCHDRMKHHZ-RQJHMYQMSA-N 0 1 247.207 2.498 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](CCC2CC2)C1 ZINC000232742204 388858144 /nfs/dbraw/zinc/85/81/44/388858144.db2.gz QGEUDYPLKDHCCK-ZDUSSCGKSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1[C@@H](O)CC[N@H+]1Cc1cc2ccccc2o1 ZINC000648763568 388846948 /nfs/dbraw/zinc/84/69/48/388846948.db2.gz HVNPOSSOUIZBOG-MFKMUULPSA-N 0 1 231.295 2.388 20 0 BEADMN CC(C)[C@@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564757243 388886943 /nfs/dbraw/zinc/88/69/43/388886943.db2.gz CBVZIFQDLXZYHL-LLVKDONJSA-N 0 1 220.316 2.265 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564757243 388886946 /nfs/dbraw/zinc/88/69/46/388886946.db2.gz CBVZIFQDLXZYHL-LLVKDONJSA-N 0 1 220.316 2.265 20 0 BEADMN COC1(CNc2ccc3nn[nH]c3c2)CCCC1 ZINC000564791228 388890364 /nfs/dbraw/zinc/89/03/64/388890364.db2.gz PFCGDSXCBCXUKO-UHFFFAOYSA-N 0 1 246.314 2.329 20 0 BEADMN COC1(CNc2ccc3n[nH]nc3c2)CCCC1 ZINC000564791228 388890368 /nfs/dbraw/zinc/89/03/68/388890368.db2.gz PFCGDSXCBCXUKO-UHFFFAOYSA-N 0 1 246.314 2.329 20 0 BEADMN CN(CC(=O)Nc1ccccc1F)C(C)(C)C ZINC000564929988 388898533 /nfs/dbraw/zinc/89/85/33/388898533.db2.gz QXXUQGWILLOZLN-UHFFFAOYSA-N 0 1 238.306 2.495 20 0 BEADMN COc1ccc(CN2CC[C@@H](SC)C2)nc1 ZINC000556307023 388874328 /nfs/dbraw/zinc/87/43/28/388874328.db2.gz KHFJUNQRWUNVIG-GFCCVEGCSA-N 0 1 238.356 2.028 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)[C@H]1CC1(C)C ZINC000565107586 388915360 /nfs/dbraw/zinc/91/53/60/388915360.db2.gz QISNAYSNGIKNBH-JTQLQIEISA-N 0 1 223.272 2.208 20 0 BEADMN Cc1ccncc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000565110193 388915986 /nfs/dbraw/zinc/91/59/86/388915986.db2.gz BPECBFLFKTUKRS-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ccnc([C@@H]2CCN(Cc3ccno3)C2)c1 ZINC000565170315 388919933 /nfs/dbraw/zinc/91/99/33/388919933.db2.gz FGWRNRXKNPOSAA-GFCCVEGCSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC12CCCC2 ZINC000565190028 388923490 /nfs/dbraw/zinc/92/34/90/388923490.db2.gz JTVLLTWJJYMQSL-PWSUYJOCSA-N 0 1 247.342 2.037 20 0 BEADMN CC[C@@H]1C[N@H+](C)CCN1Cc1cccs1 ZINC000565263680 388932969 /nfs/dbraw/zinc/93/29/69/388932969.db2.gz ZJWBNUAMFRPPAQ-LLVKDONJSA-N 0 1 224.373 2.274 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)CN(CC)C1CC1 ZINC000153328699 388962924 /nfs/dbraw/zinc/96/29/24/388962924.db2.gz DSWDSZKETXTWRT-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](c1ccc(F)cc1F)N(C)CCO ZINC000153122747 388941264 /nfs/dbraw/zinc/94/12/64/388941264.db2.gz XBJXSWMONFKUEL-GFCCVEGCSA-N 0 1 229.270 2.340 20 0 BEADMN CCN(CC(=O)N1C[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000153182240 388946831 /nfs/dbraw/zinc/94/68/31/388946831.db2.gz YSJYYKRVFGXIIT-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000565486361 388948625 /nfs/dbraw/zinc/94/86/25/388948625.db2.gz JNLSNQCYZJIKCS-NSHDSACASA-N 0 1 235.327 2.196 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2O)[C@H]1C ZINC000565860851 388973671 /nfs/dbraw/zinc/97/36/71/388973671.db2.gz RUPANOMZBLRPCP-ZJUUUORDSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ncccc2[O-])[C@H]1C ZINC000565860851 388973678 /nfs/dbraw/zinc/97/36/78/388973678.db2.gz RUPANOMZBLRPCP-ZJUUUORDSA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H]1CC[N@H+](Cc2ncccc2[O-])[C@H]1C ZINC000565860851 388973675 /nfs/dbraw/zinc/97/36/75/388973675.db2.gz RUPANOMZBLRPCP-ZJUUUORDSA-N 0 1 206.289 2.018 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000566104799 388987732 /nfs/dbraw/zinc/98/77/32/388987732.db2.gz DMVRUOGTPAGRIL-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cnccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000566104802 388987737 /nfs/dbraw/zinc/98/77/37/388987737.db2.gz DMVRUOGTPAGRIL-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN COC[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000266420065 388996481 /nfs/dbraw/zinc/99/64/81/388996481.db2.gz ABNYJHGUCQCCRK-VIFPVBQESA-N 0 1 240.372 2.455 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2nccs2)C1(C)C ZINC000266648186 388996618 /nfs/dbraw/zinc/99/66/18/388996618.db2.gz XFIZNGBBHNNERM-SKDRFNHKSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2nccs2)C1(C)C ZINC000266648185 388996713 /nfs/dbraw/zinc/99/67/13/388996713.db2.gz XFIZNGBBHNNERM-JOYOIKCWSA-N 0 1 240.372 2.436 20 0 BEADMN CO[C@H](CN[C@@H](C)c1nccs1)C(C)C ZINC000271341170 389019282 /nfs/dbraw/zinc/01/92/82/389019282.db2.gz CELOAGFVIZARCL-VHSXEESVSA-N 0 1 228.361 2.465 20 0 BEADMN C[C@H](NCCF)c1ccc([S@@](C)=O)cc1 ZINC000273059319 389037073 /nfs/dbraw/zinc/03/70/73/389037073.db2.gz ZTARUXYVNHKRNL-BJOHPYRUSA-N 0 1 229.320 2.044 20 0 BEADMN C[C@]1(NCc2cscn2)CCO[C@@H]1C1CC1 ZINC000273066702 389037542 /nfs/dbraw/zinc/03/75/42/389037542.db2.gz NPWXWXHDNOJAGQ-NEPJUHHUSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@@]1(NCc2nccs2)CCO[C@H]1C1CC1 ZINC000273018633 389038254 /nfs/dbraw/zinc/03/82/54/389038254.db2.gz DDNZEXGASGOFRP-NWDGAFQWSA-N 0 1 238.356 2.190 20 0 BEADMN COCc1noc(-c2cc(Cl)ccc2O)n1 ZINC000082644504 322824777 /nfs/dbraw/zinc/82/47/77/322824777.db2.gz DKFDXHJVVPQNQN-UHFFFAOYSA-N 0 1 240.646 2.242 20 0 BEADMN CCC(C)(C)CCS(=O)(=O)c1ncc[nH]1 ZINC000361280267 168277460 /nfs/dbraw/zinc/27/74/60/168277460.db2.gz GXUCGCZLOGTJFE-UHFFFAOYSA-N 0 1 230.333 2.010 20 0 BEADMN Cc1cn[nH]c1CN1CCOc2cc(C)ccc21 ZINC000283856182 132213495 /nfs/dbraw/zinc/21/34/95/132213495.db2.gz DORVGUBTKFVRQI-UHFFFAOYSA-N 0 1 243.310 2.426 20 0 BEADMN Fc1ccc2c(c1)nccc2N1CCOCC1 ZINC000301245554 132252103 /nfs/dbraw/zinc/25/21/03/132252103.db2.gz HOBQYBYUJUNPTB-UHFFFAOYSA-N 0 1 232.258 2.211 20 0 BEADMN Cc1nccc(N2CC[C@H](O)[C@H](C)C2)c1Cl ZINC000309361102 132389578 /nfs/dbraw/zinc/38/95/78/132389578.db2.gz OCBDCHRXZWQHCR-KCJUWKMLSA-N 0 1 240.734 2.251 20 0 BEADMN CSCCN1CCc2ccc(O)cc2C1 ZINC000334737806 133744474 /nfs/dbraw/zinc/74/44/74/133744474.db2.gz LQPOWLMPOVQKAA-UHFFFAOYSA-N 0 1 223.341 2.113 20 0 BEADMN Cc1noc([C@@H]2CCCCN2CC2CC2)n1 ZINC000335943041 134018109 /nfs/dbraw/zinc/01/81/09/134018109.db2.gz JXAXFGZDVZYASY-NSHDSACASA-N 0 1 221.304 2.315 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2)CCN1C ZINC000335946796 134020654 /nfs/dbraw/zinc/02/06/54/134020654.db2.gz SKGYJMCKXDEMIG-NEPJUHHUSA-N 0 1 247.342 2.243 20 0 BEADMN O=C(c1cc2[nH]cnc2cc1F)N1CCCCC1 ZINC000335949484 134021381 /nfs/dbraw/zinc/02/13/81/134021381.db2.gz AUODDNBFCSIYDN-UHFFFAOYSA-N 0 1 247.273 2.328 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000335951350 134021640 /nfs/dbraw/zinc/02/16/40/134021640.db2.gz PYCQPOIWLFUABV-QWRGUYRKSA-N 0 1 237.372 2.469 20 0 BEADMN Cc1ncccc1CNc1cc2c(cn1)CCC2 ZINC000335965723 134027929 /nfs/dbraw/zinc/02/79/29/134027929.db2.gz RCBHIHYJJKVESY-UHFFFAOYSA-N 0 1 239.322 2.308 20 0 BEADMN C[C@@](O)(CN1CC2(C1)CCCC2)C(F)(F)F ZINC000335980567 134037297 /nfs/dbraw/zinc/03/72/97/134037297.db2.gz QTURMXPEGYGFBH-SECBINFHSA-N 0 1 237.265 2.176 20 0 BEADMN C[C@H]1CC[C@@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000335980464 134037479 /nfs/dbraw/zinc/03/74/79/134037479.db2.gz ZADLZVUULIOMIE-GXFFZTMASA-N 0 1 233.315 2.062 20 0 BEADMN COc1cncc(CN2CCC23CCC3)c1 ZINC000335993703 134041445 /nfs/dbraw/zinc/04/14/45/134041445.db2.gz NNWIEKUJRHNXGE-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN Cc1[nH]ncc1CN1CCc2cccc(F)c21 ZINC000335997178 134042434 /nfs/dbraw/zinc/04/24/34/134042434.db2.gz FKPIPQSMHQCECA-UHFFFAOYSA-N 0 1 231.274 2.420 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H]3CCC[C@H]32)nn1 ZINC000336000001 134044081 /nfs/dbraw/zinc/04/40/81/134044081.db2.gz FMVUTFJWUOPPGS-WCQYABFASA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)n1cc(CN2CC[C@H]3CCC[C@@H]32)nn1 ZINC000336000002 134044250 /nfs/dbraw/zinc/04/42/50/134044250.db2.gz FMVUTFJWUOPPGS-YPMHNXCESA-N 0 1 234.347 2.233 20 0 BEADMN Cc1noc(CN(C)C2(C)CCCC2)n1 ZINC000336006486 134049197 /nfs/dbraw/zinc/04/91/97/134049197.db2.gz UQADTRHXMHVRIC-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCSC1 ZINC000336060354 134068453 /nfs/dbraw/zinc/06/84/53/134068453.db2.gz CIDXTFSPAHKHPP-QMMMGPOBSA-N 0 1 247.323 2.255 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1cccc2n[nH]cc21 ZINC000336066554 134070888 /nfs/dbraw/zinc/07/08/88/134070888.db2.gz KQQZOHNYSSZCQH-DTORHVGOSA-N 0 1 229.283 2.186 20 0 BEADMN c1ccc(CN2CCO[C@H](C3CC3)C2)cc1 ZINC000336088321 134077646 /nfs/dbraw/zinc/07/76/46/134077646.db2.gz HFNBUDBKILKYPY-AWEZNQCLSA-N 0 1 217.312 2.297 20 0 BEADMN O=C(NC1CCCCC1)[C@H]1CCCN1C1CC1 ZINC000336091179 134078401 /nfs/dbraw/zinc/07/84/01/134078401.db2.gz PULFGAHZTFHOKO-CYBMUJFWSA-N 0 1 236.359 2.062 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CC2(C)C)cn1 ZINC000336091901 134078846 /nfs/dbraw/zinc/07/88/46/134078846.db2.gz OPLYWEBBOJEQHI-LLVKDONJSA-N 0 1 205.305 2.015 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1C ZINC000336093069 134079111 /nfs/dbraw/zinc/07/91/11/134079111.db2.gz MNRFUROKSXTCAL-AWEZNQCLSA-N 0 1 246.354 2.099 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)c2ccccc2)CCN1C ZINC000336093069 134079112 /nfs/dbraw/zinc/07/91/12/134079112.db2.gz MNRFUROKSXTCAL-AWEZNQCLSA-N 0 1 246.354 2.099 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cnc2ccccn12 ZINC000336122265 134091491 /nfs/dbraw/zinc/09/14/91/134091491.db2.gz NWTSSTPKHASNED-LLVKDONJSA-N 0 1 215.300 2.319 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc2ccccn12 ZINC000336122265 134091492 /nfs/dbraw/zinc/09/14/92/134091492.db2.gz NWTSSTPKHASNED-LLVKDONJSA-N 0 1 215.300 2.319 20 0 BEADMN CC1=C[C@H](C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000336152185 134104297 /nfs/dbraw/zinc/10/42/97/134104297.db2.gz DCIKQPRCROHRPI-VIFPVBQESA-N 0 1 245.326 2.325 20 0 BEADMN CN(C(=O)c1c(O)cccc1F)[C@@H]1CC1(C)C ZINC000336157936 134106525 /nfs/dbraw/zinc/10/65/25/134106525.db2.gz MWHJYNCHFPCKBM-SNVBAGLBSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000336178477 134117470 /nfs/dbraw/zinc/11/74/70/134117470.db2.gz XHAOSWNOIOPWTB-ZJUUUORDSA-N 0 1 243.310 2.481 20 0 BEADMN O[C@@]1(C(F)(F)F)CC[N@@H+](CC2=CCCCC2)C1 ZINC000336197196 134126627 /nfs/dbraw/zinc/12/66/27/134126627.db2.gz ZEPSFUBKSDTBQH-NSHDSACASA-N 0 1 249.276 2.486 20 0 BEADMN C[C@H]1CC(NC(=O)[C@H]2CCCN2C)C[C@H](C)C1 ZINC000352284177 134134284 /nfs/dbraw/zinc/13/42/84/134134284.db2.gz NPSJHSBTEFKUDY-NQBHXWOUSA-N 0 1 238.375 2.022 20 0 BEADMN CCn1nnc(C)c1CN1CCCC(C)(C)C1 ZINC000336215836 134136892 /nfs/dbraw/zinc/13/68/92/134136892.db2.gz UGBURMUKDKSKBA-UHFFFAOYSA-N 0 1 236.363 2.228 20 0 BEADMN COC[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000172915478 134270874 /nfs/dbraw/zinc/27/08/74/134270874.db2.gz CKZDUXSHUVCEAI-SSDOTTSWSA-N 0 1 229.349 2.229 20 0 BEADMN COC[C@@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000172915478 134270875 /nfs/dbraw/zinc/27/08/75/134270875.db2.gz CKZDUXSHUVCEAI-SSDOTTSWSA-N 0 1 229.349 2.229 20 0 BEADMN CCc1noc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000172970186 134271498 /nfs/dbraw/zinc/27/14/98/134271498.db2.gz DBJQZFSMYUDQKN-LPEHRKFASA-N 0 1 235.331 2.281 20 0 BEADMN CC[N@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC000176007290 134290192 /nfs/dbraw/zinc/29/01/92/134290192.db2.gz FKJYIFCKYYMWDL-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177367115 134297850 /nfs/dbraw/zinc/29/78/50/134297850.db2.gz YJWLYPOWHSWCFX-GHMZBOCLSA-N 0 1 249.358 2.238 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC000177982586 134302239 /nfs/dbraw/zinc/30/22/39/134302239.db2.gz JKSWUVZBTIHVLV-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCC[C@@H](CN(C)Cc2nnc[nH]2)C1 ZINC000179359584 134316614 /nfs/dbraw/zinc/31/66/14/134316614.db2.gz JOPSJYNUIQJZES-WDEREUQCSA-N 0 1 222.336 2.063 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc2cc(C)ccn12 ZINC000179368888 134316736 /nfs/dbraw/zinc/31/67/36/134316736.db2.gz AOWWMLWAWRTQMN-LBPRGKRZSA-N 0 1 247.342 2.109 20 0 BEADMN OCCN(Cc1nc2ccccc2o1)C1CCC1 ZINC000221206093 134322364 /nfs/dbraw/zinc/32/23/64/134322364.db2.gz IOJYBCXSFYUOCB-UHFFFAOYSA-N 0 1 246.310 2.175 20 0 BEADMN Cc1cccc(OCCN(C)Cc2cnc[nH]2)c1 ZINC000179771999 134323306 /nfs/dbraw/zinc/32/33/06/134323306.db2.gz MNOXEYVRCCREPX-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN Cn1cc([C@H](NC2CC2)c2cccc(F)c2)cn1 ZINC000179958298 134325619 /nfs/dbraw/zinc/32/56/19/134325619.db2.gz SJQJQFNNTZTFTD-CQSZACIVSA-N 0 1 245.301 2.401 20 0 BEADMN CC[C@H]1CCCCN1Cc1n[nH]c(C2CC2)n1 ZINC000180404783 134326996 /nfs/dbraw/zinc/32/69/96/134326996.db2.gz DXKUROBNHRQVRA-NSHDSACASA-N 0 1 234.347 2.447 20 0 BEADMN CC1(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000223660490 134340940 /nfs/dbraw/zinc/34/09/40/134340940.db2.gz XHESKFDWGYBMHM-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN O[C@@H](CNCc1ccccc1Cl)C(F)F ZINC000226575939 134366858 /nfs/dbraw/zinc/36/68/58/134366858.db2.gz MCZMBUYBICCDSG-VIFPVBQESA-N 0 1 235.661 2.056 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184633685 134367319 /nfs/dbraw/zinc/36/73/19/134367319.db2.gz JMZVMSTXSHBJNI-TVQRCGJNSA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184633685 134367320 /nfs/dbraw/zinc/36/73/20/134367320.db2.gz JMZVMSTXSHBJNI-TVQRCGJNSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1nccs1 ZINC000227031074 134373795 /nfs/dbraw/zinc/37/37/95/134373795.db2.gz GWYRNIBCJOQLEK-BBBLOLIVSA-N 0 1 226.345 2.361 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nccs2)C1(C)C ZINC000227826141 134389588 /nfs/dbraw/zinc/38/95/88/134389588.db2.gz QBNYXPJTBBIESC-BDAKNGLRSA-N 0 1 226.345 2.046 20 0 BEADMN Cc1c([C@H](C)NCc2cnccc2C)cnn1C ZINC000135450676 134746950 /nfs/dbraw/zinc/74/69/50/134746950.db2.gz IGXDUWXQJFRKAX-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159134093 134761575 /nfs/dbraw/zinc/76/15/75/134761575.db2.gz KDKORLOPHKCFBY-CQSZACIVSA-N 0 1 217.312 2.180 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CCO[C@H]2C)n1 ZINC000245941622 134872679 /nfs/dbraw/zinc/87/26/79/134872679.db2.gz MNZSOPKPKFPCPF-LPEHRKFASA-N 0 1 226.345 2.280 20 0 BEADMN Cc1nnc(CN2CC[C@H](C)[C@H]2C)n1C1CC1 ZINC000248370676 135000953 /nfs/dbraw/zinc/00/09/53/135000953.db2.gz XULIEIUKKZHGGD-VHSXEESVSA-N 0 1 234.347 2.152 20 0 BEADMN Cc1csc([C@@H](C)N[C@H]2CCCOC2)n1 ZINC000070732744 135011066 /nfs/dbraw/zinc/01/10/66/135011066.db2.gz MRAXEACPKZVDQT-ZJUUUORDSA-N 0 1 226.345 2.281 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@H]2CCCC[C@@H]12 ZINC000248452741 135011070 /nfs/dbraw/zinc/01/10/70/135011070.db2.gz YVHJPIBEGFSJBL-SCVCMEIPSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000076150267 135014730 /nfs/dbraw/zinc/01/47/30/135014730.db2.gz CKTCMPDAVLQYQX-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC=C(C)C ZINC000248788277 135021968 /nfs/dbraw/zinc/02/19/68/135021968.db2.gz CZARRJQKIDTCRS-XQQFMLRXSA-N 0 1 237.343 2.226 20 0 BEADMN C[C@H](c1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000249000090 135029757 /nfs/dbraw/zinc/02/97/57/135029757.db2.gz MVVDSNMUWPXCHE-HIFRSBDPSA-N 0 1 247.338 2.239 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@@H](C)C2)n1C ZINC000249746621 135044925 /nfs/dbraw/zinc/04/49/25/135044925.db2.gz ZZDCODPCMMMDMM-PWSUYJOCSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000077492580 135068725 /nfs/dbraw/zinc/06/87/25/135068725.db2.gz UJYCUECDXWODQX-MWLCHTKSSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H]1CC[C@H](NCc2csnn2)C[C@H]1C ZINC000251784539 135077711 /nfs/dbraw/zinc/07/77/11/135077711.db2.gz LGYTWVWIFBAVRJ-BBBLOLIVSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000251795142 135078251 /nfs/dbraw/zinc/07/82/51/135078251.db2.gz XJZKNRYQYDOWLZ-WCQYABFASA-N 0 1 233.311 2.229 20 0 BEADMN CC(C)[C@H](C)CNc1ncnc2[nH]cnc21 ZINC000077897396 135084990 /nfs/dbraw/zinc/08/49/90/135084990.db2.gz BGQLFTMSKRLSOO-MRVPVSSYSA-N 0 1 219.292 2.057 20 0 BEADMN Cc1csc(CN[C@H]2CS[C@@H](C)C2)n1 ZINC000086935424 135103840 /nfs/dbraw/zinc/10/38/40/135103840.db2.gz CIMRHCJZEMJRID-DTWKUNHWSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1nc(CN[C@H]2CS[C@@H](C)C2)cs1 ZINC000086935502 135103914 /nfs/dbraw/zinc/10/39/14/135103914.db2.gz QQYNADNONKIZII-IONNQARKSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1ccc(CC[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000258919999 135135043 /nfs/dbraw/zinc/13/50/43/135135043.db2.gz QHDCRJPKEQERGD-GFCCVEGCSA-N 0 1 235.327 2.190 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CC1CCC1 ZINC000258872667 135135389 /nfs/dbraw/zinc/13/53/89/135135389.db2.gz USHJRVZZPRLRLK-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000261527230 135150984 /nfs/dbraw/zinc/15/09/84/135150984.db2.gz ACHRJIFTEIMFGL-QWRGUYRKSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000261527231 135151009 /nfs/dbraw/zinc/15/10/09/135151009.db2.gz ACHRJIFTEIMFGL-WDEREUQCSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000261530601 135157920 /nfs/dbraw/zinc/15/79/20/135157920.db2.gz KKDPJWOCKMCBEW-YPMHNXCESA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccsc1 ZINC000261531907 135161762 /nfs/dbraw/zinc/16/17/62/135161762.db2.gz IHYYRFJOAMMDOR-WPRPVWTQSA-N 0 1 225.313 2.358 20 0 BEADMN C[C@@H](c1nc(C2(N)CCCC2)no1)C1CC1 ZINC000164057852 135212083 /nfs/dbraw/zinc/21/20/83/135212083.db2.gz ATUXXMJYVNPWON-MRVPVSSYSA-N 0 1 221.304 2.311 20 0 BEADMN CCC[C@](C)(O)CNCc1nc(C)cs1 ZINC000164136893 135213290 /nfs/dbraw/zinc/21/32/90/135213290.db2.gz MNKFDCAEXCTWEM-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN CC[C@@H]1C[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000164128684 135213477 /nfs/dbraw/zinc/21/34/77/135213477.db2.gz MANMIWNRWDBXKO-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN CSc1ccccc1C[N@@H+](C)CCC(=O)[O-] ZINC000261573696 135216090 /nfs/dbraw/zinc/21/60/90/135216090.db2.gz IWPZXYOHRGTDEH-UHFFFAOYSA-N 0 1 239.340 2.315 20 0 BEADMN O=C([O-])[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000261590049 135230942 /nfs/dbraw/zinc/23/09/42/135230942.db2.gz UIPRCXUPSCGGNA-MRVPVSSYSA-N 0 1 240.690 2.036 20 0 BEADMN CC(C)(C)CCc1nc(C2(N)CCC2)no1 ZINC000261679702 135245389 /nfs/dbraw/zinc/24/53/89/135245389.db2.gz GTGDDIPIRZUEKT-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN CC[C@H]1CN(Cc2cccc(N)c2)C[C@@H](C)O1 ZINC000261757272 135250748 /nfs/dbraw/zinc/25/07/48/135250748.db2.gz XGEWXBASRBJEQO-RISCZKNCSA-N 0 1 234.343 2.268 20 0 BEADMN CC[C@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1 ZINC000261757268 135250991 /nfs/dbraw/zinc/25/09/91/135250991.db2.gz XGEWXBASRBJEQO-FZMZJTMJSA-N 0 1 234.343 2.268 20 0 BEADMN CC/C=C\CCN(CC(=O)OC)C(C)C ZINC000342232863 135254939 /nfs/dbraw/zinc/25/49/39/135254939.db2.gz OAZIEOGWLGHYDZ-SREVYHEPSA-N 0 1 213.321 2.226 20 0 BEADMN NC1(c2noc(CCc3cccs3)n2)CCC1 ZINC000261875537 135259042 /nfs/dbraw/zinc/25/90/42/135259042.db2.gz VQLXCFGXZNYOFW-UHFFFAOYSA-N 0 1 249.339 2.254 20 0 BEADMN NC1(c2noc(Cc3cccs3)n2)CCC1 ZINC000261959830 135267207 /nfs/dbraw/zinc/26/72/07/135267207.db2.gz PDTOOELCKIKEAH-UHFFFAOYSA-N 0 1 235.312 2.060 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342403865 135271525 /nfs/dbraw/zinc/27/15/25/135271525.db2.gz VBPGRICOUWALSX-GHMZBOCLSA-N 0 1 249.358 2.477 20 0 BEADMN Cc1cccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262175317 135283648 /nfs/dbraw/zinc/28/36/48/135283648.db2.gz DAASLTXMFOCOAL-NSHDSACASA-N 0 1 233.311 2.433 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)N2CCNC[C@@H]2C)CC1 ZINC000262179365 135283865 /nfs/dbraw/zinc/28/38/65/135283865.db2.gz ILTVERYMEMRKAX-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nc2cc(CSc3cn[nH]n3)ccc2[nH]1 ZINC000342678026 135303654 /nfs/dbraw/zinc/30/36/54/135303654.db2.gz RWSOEHPJIUOLRR-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN Cc1nc2ccc(CSc3c[nH]nn3)cc2[nH]1 ZINC000342678026 135303655 /nfs/dbraw/zinc/30/36/55/135303655.db2.gz RWSOEHPJIUOLRR-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN Cc1nc2ccc(CSc3cn[nH]n3)cc2[nH]1 ZINC000342678026 135303656 /nfs/dbraw/zinc/30/36/56/135303656.db2.gz RWSOEHPJIUOLRR-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@@H](C)C2)n1C ZINC000342793621 135319586 /nfs/dbraw/zinc/31/95/86/135319586.db2.gz RCQQQROFHKGYBD-QWRGUYRKSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC[C@H]2C)n1C ZINC000342795029 135319665 /nfs/dbraw/zinc/31/96/65/135319665.db2.gz VPXWDRQAILTELV-GHMZBOCLSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](C)CC2)n1C ZINC000342797921 135320346 /nfs/dbraw/zinc/32/03/46/135320346.db2.gz RLZWBBCUJXUOJH-LLVKDONJSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN([C@H](C)C2CC2)C2CC2)n1C ZINC000342798928 135320816 /nfs/dbraw/zinc/32/08/16/135320816.db2.gz YUAJFRQUQKLBET-LLVKDONJSA-N 0 1 233.359 2.491 20 0 BEADMN CCCN(CCC)Cc1ncc(C)n1C ZINC000342801530 135321860 /nfs/dbraw/zinc/32/18/60/135321860.db2.gz XKXVABWXLAFIHR-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000263042035 135329307 /nfs/dbraw/zinc/32/93/07/135329307.db2.gz JCTZZUSUWQOMDJ-JHJVBQTASA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)C2(C)CCCC2)CCN1C ZINC000334172459 135330937 /nfs/dbraw/zinc/33/09/37/135330937.db2.gz BRUWLMKWDIGYQG-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN c1coc(CNCc2cccc3c[nH]nc32)c1 ZINC000342912752 135333934 /nfs/dbraw/zinc/33/39/34/135333934.db2.gz RGQMJVGOHMYKLV-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN COCc1cnc(CN2C[C@H](C)[C@H](C)C2)s1 ZINC000342940670 135337599 /nfs/dbraw/zinc/33/75/99/135337599.db2.gz HZDHKPACXZFTJQ-AOOOYVTPSA-N 0 1 240.372 2.377 20 0 BEADMN CC1CN(Cc2cccc(C(N)=O)c2)C1 ZINC000334280028 135338441 /nfs/dbraw/zinc/33/84/41/135338441.db2.gz QZKNIMZJQZLJRO-UHFFFAOYSA-N 0 1 204.273 2.022 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC(=O)[O-] ZINC000263353827 135348833 /nfs/dbraw/zinc/34/88/33/135348833.db2.gz QVEBKFTXOLMWST-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@@H+](C)CCC(=O)[O-] ZINC000263379474 135350351 /nfs/dbraw/zinc/35/03/51/135350351.db2.gz BGYZLMVXAUXTFJ-GFCCVEGCSA-N 0 1 235.327 2.272 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000334310193 135351008 /nfs/dbraw/zinc/35/10/08/135351008.db2.gz FYGJWXMQRINGFE-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN COc1ccc(OC)c(CNCc2cc[nH]c2)c1 ZINC000343099748 135354692 /nfs/dbraw/zinc/35/46/92/135354692.db2.gz UTVKBMZSEGJPQZ-UHFFFAOYSA-N 0 1 246.310 2.322 20 0 BEADMN CCc1cccc(F)c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263449233 135355561 /nfs/dbraw/zinc/35/55/61/135355561.db2.gz ZAPOTTHFPIXROJ-VIFPVBQESA-N 0 1 239.290 2.293 20 0 BEADMN C[C@H](CCc1cccc(F)c1)[N@@H+](C)CC(=O)[O-] ZINC000263449199 135355604 /nfs/dbraw/zinc/35/56/04/135355604.db2.gz YZHGNMIVCZEVIS-SNVBAGLBSA-N 0 1 239.290 2.163 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263532690 135358184 /nfs/dbraw/zinc/35/81/84/135358184.db2.gz XLUGCFBAMSQZCR-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)on1 ZINC000334333406 135361547 /nfs/dbraw/zinc/36/15/47/135361547.db2.gz UHQCUSXCDDUDDY-JQWIXIFHSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1ncc(CN2CCSC(C)(C)C2)cn1 ZINC000334333965 135362167 /nfs/dbraw/zinc/36/21/67/135362167.db2.gz VZZGTQVGJYGZQR-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CCCC[C@H](Nc1[nH+]cnc2[nH]ccc21)C(=O)[O-] ZINC000263566868 135362309 /nfs/dbraw/zinc/36/23/09/135362309.db2.gz WYWPIAVOYXTLFX-VIFPVBQESA-N 0 1 248.286 2.013 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2CCC2)C[C@H]1C ZINC000334335705 135363199 /nfs/dbraw/zinc/36/31/99/135363199.db2.gz QYQVIHISMKEHIY-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(F)c1C ZINC000080045350 135365803 /nfs/dbraw/zinc/36/58/03/135365803.db2.gz AXBNFKLLNLOPHR-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@@H]2C)[nH]1 ZINC000334358423 135371089 /nfs/dbraw/zinc/37/10/89/135371089.db2.gz SNXUGDMJAYJUSQ-DTORHVGOSA-N 0 1 243.310 2.494 20 0 BEADMN C[C@@H]1CN(c2nc3ccccc3o2)C[C@H](C)N1C ZINC000334381013 135378879 /nfs/dbraw/zinc/37/88/79/135378879.db2.gz IYVSMTUFEFWOTB-PHIMTYICSA-N 0 1 245.326 2.357 20 0 BEADMN Cc1nc([C@H]2CCCCN2CC(F)(F)F)n[nH]1 ZINC000334381435 135379674 /nfs/dbraw/zinc/37/96/74/135379674.db2.gz JKXOPPDUCXYFLT-MRVPVSSYSA-N 0 1 248.252 2.202 20 0 BEADMN Cc1ncc(CN2C[C@@H](C)S[C@H](C)C2)cn1 ZINC000334387131 135382734 /nfs/dbraw/zinc/38/27/34/135382734.db2.gz OTAGKWUIVPSWNS-NXEZZACHSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1c[nH]nc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000334386886 135382811 /nfs/dbraw/zinc/38/28/11/135382811.db2.gz OJJXGKLOGXWRFH-AWEZNQCLSA-N 0 1 249.358 2.109 20 0 BEADMN C[C@@H]1CN(Cc2ncc(C3CC3)o2)[C@@H](C)CN1C ZINC000334404490 135393347 /nfs/dbraw/zinc/39/33/47/135393347.db2.gz FMZQDSWTBBKMPU-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CC1=CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000334415961 135395015 /nfs/dbraw/zinc/39/50/15/135395015.db2.gz PZSASLVGUBVODB-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)C(C)(C)C ZINC000334417399 135398738 /nfs/dbraw/zinc/39/87/38/135398738.db2.gz OMIIPHLNSGDDMW-NXEZZACHSA-N 0 1 249.358 2.065 20 0 BEADMN FC1(F)CCC[C@H]1CN[C@H]1CCn2ccnc21 ZINC000335662669 135421024 /nfs/dbraw/zinc/42/10/24/135421024.db2.gz KOXWCQDFZXHLBX-UWVGGRQHSA-N 0 1 241.285 2.353 20 0 BEADMN Cc1n[nH]cc1CN1CC2(C1)CCCC2 ZINC000334511815 135549521 /nfs/dbraw/zinc/54/95/21/135549521.db2.gz BLARYWJDXWLNTD-UHFFFAOYSA-N 0 1 205.305 2.094 20 0 BEADMN Cc1ncccc1CN(C)C[C@@H]1CCCCO1 ZINC000092428701 135576547 /nfs/dbraw/zinc/57/65/47/135576547.db2.gz JFNVDECMUWYVPE-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN CC(C)(C)OC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344121764 135744626 /nfs/dbraw/zinc/74/46/26/135744626.db2.gz VCDOIEYQWNDHRE-LBPRGKRZSA-N 0 1 239.359 2.450 20 0 BEADMN NC1(c2noc([C@@H]3CC34CC4)n2)CCCC1 ZINC000334585793 135758957 /nfs/dbraw/zinc/75/89/57/135758957.db2.gz CKRFJUMFCBROJT-QMMMGPOBSA-N 0 1 219.288 2.065 20 0 BEADMN Cc1ccc2nc(NC(=O)c3ccon3)[nH]c2c1 ZINC000344519514 135774722 /nfs/dbraw/zinc/77/47/22/135774722.db2.gz FUAJWGMQFRRKLV-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@H]1CCCCN(C(=O)c2ccc(CN)o2)C1 ZINC000335022380 135879337 /nfs/dbraw/zinc/87/93/37/135879337.db2.gz DLCVOKVOVRHLST-JTQLQIEISA-N 0 1 236.315 2.001 20 0 BEADMN Cc1ccncc1CCCN(C)Cc1cc[nH]n1 ZINC000347803103 136013355 /nfs/dbraw/zinc/01/33/55/136013355.db2.gz FBBOMHKDLFMJRS-UHFFFAOYSA-N 0 1 244.342 2.178 20 0 BEADMN CCc1ccc(CN(C)CCSC)cn1 ZINC000347865836 136016616 /nfs/dbraw/zinc/01/66/16/136016616.db2.gz ZOIQMHSVNNNZNE-UHFFFAOYSA-N 0 1 224.373 2.439 20 0 BEADMN CC(C)n1cc(CN(C)[C@H](C)C2(C)CC2)nn1 ZINC000347915850 136018140 /nfs/dbraw/zinc/01/81/40/136018140.db2.gz IWUSEVHGVNTLRJ-LLVKDONJSA-N 0 1 236.363 2.479 20 0 BEADMN CC(C)n1cc(CN2[C@H](C)CC[C@H]2C)nn1 ZINC000335305729 136022342 /nfs/dbraw/zinc/02/23/42/136022342.db2.gz BDAYIFFOOIEHDT-GHMZBOCLSA-N 0 1 222.336 2.232 20 0 BEADMN C[C@H]1CCN(C)CC[N@@H+]1Cc1ccsc1 ZINC000335315306 136024415 /nfs/dbraw/zinc/02/44/15/136024415.db2.gz OIOJJGPCMGGYMZ-NSHDSACASA-N 0 1 224.373 2.274 20 0 BEADMN FC(F)(F)CCN1CCOCC2(CC2)C1 ZINC000335315631 136024825 /nfs/dbraw/zinc/02/48/25/136024825.db2.gz LREUDDJXGKIIIV-UHFFFAOYSA-N 0 1 223.238 2.051 20 0 BEADMN FC(F)(F)CC[N@H+]1CCOCC2(CC2)C1 ZINC000335315631 136024824 /nfs/dbraw/zinc/02/48/24/136024824.db2.gz LREUDDJXGKIIIV-UHFFFAOYSA-N 0 1 223.238 2.051 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)CC[C@H]2C)nn1 ZINC000335318334 136026137 /nfs/dbraw/zinc/02/61/37/136026137.db2.gz CXECSTDKHBNIPH-NWDGAFQWSA-N 0 1 236.363 2.479 20 0 BEADMN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC12CCC2 ZINC000335311299 136029818 /nfs/dbraw/zinc/02/98/18/136029818.db2.gz BVADSHUCSHBAPL-NWDGAFQWSA-N 0 1 246.358 2.344 20 0 BEADMN C[C@H]1CN(C)CC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000335311734 136030139 /nfs/dbraw/zinc/03/01/39/136030139.db2.gz VPQFVMXWULQMOE-RYUDHWBXSA-N 0 1 246.345 2.448 20 0 BEADMN Cc1sccc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000335311965 136030295 /nfs/dbraw/zinc/03/02/95/136030295.db2.gz XHNUPCQKXJVYEM-KCJUWKMLSA-N 0 1 211.330 2.012 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCC[C@H]2c2cc[nH]n2)O1 ZINC000348155049 136040568 /nfs/dbraw/zinc/04/05/68/136040568.db2.gz XRVFQKFSEVPEKF-WZRBSPASSA-N 0 1 235.331 2.114 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1C[C@@H]1C(F)F ZINC000348162461 136041890 /nfs/dbraw/zinc/04/18/90/136041890.db2.gz TYKXWHCXUDCQNG-XHNCKOQMSA-N 0 1 227.258 2.089 20 0 BEADMN Cc1ccc(CN2CCCO[C@@H](C)C2)nc1 ZINC000335340054 136045865 /nfs/dbraw/zinc/04/58/65/136045865.db2.gz UKOZPWDKMCFYOR-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Oc1cc(F)cc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000348214456 136045965 /nfs/dbraw/zinc/04/59/65/136045965.db2.gz COKIJEITILRZPK-VHSXEESVSA-N 0 1 231.217 2.275 20 0 BEADMN OC[C@@H]1C=C[C@H](NCc2ccsc2Cl)C1 ZINC000348214753 136046058 /nfs/dbraw/zinc/04/60/58/136046058.db2.gz AKKOZOABJOENSL-SCZZXKLOSA-N 0 1 243.759 2.428 20 0 BEADMN C[C@H](c1ccccc1F)[N@@H+](C)C1CC(O)C1 ZINC000335327226 136052131 /nfs/dbraw/zinc/05/21/31/136052131.db2.gz DSCQGXDDWLHOAF-KPPDAEKUSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@H](c1ccccc1F)N(C)C1CC(O)C1 ZINC000335327226 136052132 /nfs/dbraw/zinc/05/21/32/136052132.db2.gz DSCQGXDDWLHOAF-KPPDAEKUSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H](c1ccccc1F)[N@@H+](C)C1CC(O)C1 ZINC000335327227 136052138 /nfs/dbraw/zinc/05/21/38/136052138.db2.gz DSCQGXDDWLHOAF-WHXUTIOJSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)C1CC(O)C1 ZINC000335327227 136052139 /nfs/dbraw/zinc/05/21/39/136052139.db2.gz DSCQGXDDWLHOAF-WHXUTIOJSA-N 0 1 223.291 2.342 20 0 BEADMN COc1c(O)cccc1CN1[C@H](C)C[C@@H]1C ZINC000335328074 136052673 /nfs/dbraw/zinc/05/26/73/136052673.db2.gz DURKYTHCBKBUAJ-AOOOYVTPSA-N 0 1 221.300 2.384 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCc1cccnc1 ZINC000335345146 136065728 /nfs/dbraw/zinc/06/57/28/136065728.db2.gz IZSDCNHSGNZOOF-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1CN(C(=O)C2=CCCCC2)[C@@H](C)CN1C ZINC000335371499 136083649 /nfs/dbraw/zinc/08/36/49/136083649.db2.gz JGXNPRLLGZESFL-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@@H]1CN(C(=O)C2=CCCCC2)[C@H](C)CN1C ZINC000335371500 136083690 /nfs/dbraw/zinc/08/36/90/136083690.db2.gz JGXNPRLLGZESFL-VXGBXAGGSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1nccc(N2CC(C)(C(N)=O)C2)c1Cl ZINC000335389454 136090171 /nfs/dbraw/zinc/09/01/71/136090171.db2.gz NJHKNVIQIHNBHV-UHFFFAOYSA-N 0 1 239.706 2.405 20 0 BEADMN Cc1nc(C)c(CN2CC(C)(C(N)=O)C2)s1 ZINC000335397130 136093204 /nfs/dbraw/zinc/09/32/04/136093204.db2.gz KMJXFCAJVMAMRT-UHFFFAOYSA-N 0 1 239.344 2.117 20 0 BEADMN Cc1cccc(CCN2CC(C)(C)OC[C@@H]2C)n1 ZINC000335364407 136095137 /nfs/dbraw/zinc/09/51/37/136095137.db2.gz IXJVAELGTJNYLJ-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@@H]1CN(CC2(C)CCC2)C[C@@H](C)[S@@]1=O ZINC000348542081 136095551 /nfs/dbraw/zinc/09/55/51/136095551.db2.gz APWVSOGREZSXBU-HSMVNMDESA-N 0 1 243.416 2.408 20 0 BEADMN CC[C@@H]1CN(CC2(C)CCC2)C[C@@H](C)[S@]1=O ZINC000348542078 136095742 /nfs/dbraw/zinc/09/57/42/136095742.db2.gz APWVSOGREZSXBU-XHBSWPGZSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1ccc(CN2CCC[C@@H](n3ccnn3)C2)o1 ZINC000335549769 136097704 /nfs/dbraw/zinc/09/77/04/136097704.db2.gz KRCOSGXXKRHHDP-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)[C@@H]2CC2(C)C)cc1 ZINC000335562670 136106801 /nfs/dbraw/zinc/10/68/01/136106801.db2.gz KDDZASUTHULJKG-CHWSQXEVSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@@H]1CCN(Cc2cnns2)C[C@H]1C ZINC000335569759 136108626 /nfs/dbraw/zinc/10/86/26/136108626.db2.gz FCEUOEUCDVOGNM-RKDXNWHRSA-N 0 1 211.334 2.016 20 0 BEADMN OC[C@@]1(F)CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000335572357 136109774 /nfs/dbraw/zinc/10/97/74/136109774.db2.gz GHZWSZIFXJWIBW-JXQTWKCFSA-N 0 1 241.350 2.363 20 0 BEADMN c1ncc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cn1 ZINC000335579767 136111694 /nfs/dbraw/zinc/11/16/94/136111694.db2.gz KFNCIUFXMSSHFJ-CYBMUJFWSA-N 0 1 249.383 2.196 20 0 BEADMN c1ncc(CN2CCC[C@@]3(CCSC3)C2)cn1 ZINC000335579767 136111695 /nfs/dbraw/zinc/11/16/95/136111695.db2.gz KFNCIUFXMSSHFJ-CYBMUJFWSA-N 0 1 249.383 2.196 20 0 BEADMN C[C@@H](CC1CCOCC1)C[N@H+]1CCO[C@H](C)C1 ZINC000348670665 136113078 /nfs/dbraw/zinc/11/30/78/136113078.db2.gz JKWOGWRWGAMKKX-QWHCGFSZSA-N 0 1 241.375 2.160 20 0 BEADMN C[C@@H](O)C[C@H]1CCCCCN1Cc1cocn1 ZINC000348639922 136114708 /nfs/dbraw/zinc/11/47/08/136114708.db2.gz FNCSEPGONJDFNQ-DGCLKSJQSA-N 0 1 238.331 2.190 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CCCOC2)cn1 ZINC000348711124 136116909 /nfs/dbraw/zinc/11/69/09/136116909.db2.gz FLOFKQOSSZZSLV-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)C1CCCC1 ZINC000644087150 397754876 /nfs/dbraw/zinc/75/48/76/397754876.db2.gz SIEAWAMQIFGZJL-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]([N@@H+](C)CCCCC(=O)[O-])C1(C)CC1 ZINC000181575820 397809999 /nfs/dbraw/zinc/80/99/99/397809999.db2.gz XLYFDIJLPHZGSH-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCC(CC)N[C@H](C)c1nc(COC)no1 ZINC000183005751 397830389 /nfs/dbraw/zinc/83/03/89/397830389.db2.gz ZCMYVGGUBQIXCI-MRVPVSSYSA-N 0 1 227.308 2.055 20 0 BEADMN CC[C@@H](N[C@@H](CC)C(=O)OC)C1CCCC1 ZINC000387703590 397856911 /nfs/dbraw/zinc/85/69/11/397856911.db2.gz XSEDKHDSAWDTGB-NEPJUHHUSA-N 0 1 227.348 2.496 20 0 BEADMN CCOCCOCCN(C)Cc1ccoc1C ZINC000414438271 397937440 /nfs/dbraw/zinc/93/74/40/397937440.db2.gz QZBRBQQMVWBRLI-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1Cc1cc2n(n1)CCCC2 ZINC000649548164 397940671 /nfs/dbraw/zinc/94/06/71/397940671.db2.gz OUEUETAZYSJWFU-NWDGAFQWSA-N 0 1 233.359 2.450 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649550734 397942686 /nfs/dbraw/zinc/94/26/86/397942686.db2.gz ZBSDGOQJZJGKPM-AWEZNQCLSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)C2CCCC2)[C@@H](C)CN1C ZINC000650145020 397943362 /nfs/dbraw/zinc/94/33/62/397943362.db2.gz CZSQZUQYHKSGSA-QJPTWQEYSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1[C@H](C)N(C(=O)C2CCCC2)[C@@H](C)CN1C ZINC000650145021 397943555 /nfs/dbraw/zinc/94/35/55/397943555.db2.gz CZSQZUQYHKSGSA-TUAOUCFPSA-N 0 1 238.375 2.116 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650145414 397943819 /nfs/dbraw/zinc/94/38/19/397943819.db2.gz KRYTYKBVKKSVCA-IJLUTSLNSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CC(C)(C)C ZINC000650145068 397943857 /nfs/dbraw/zinc/94/38/57/397943857.db2.gz DYEJGAKIPQNLQD-IJLUTSLNSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CCC1CC1 ZINC000650152051 397945866 /nfs/dbraw/zinc/94/58/66/397945866.db2.gz YIETYFREWFVMIM-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1ccc([C@H]2CCCN2[C@@H](C)C(N)=O)s1 ZINC000359060898 397947881 /nfs/dbraw/zinc/94/78/81/397947881.db2.gz ATVYNBMBDXEOPB-VHSXEESVSA-N 0 1 238.356 2.067 20 0 BEADMN CO[C@@]1(C)C[C@H](NCc2cc(C)on2)C1(C)C ZINC000446955139 397949592 /nfs/dbraw/zinc/94/95/92/397949592.db2.gz XQNUARCGGLERAI-AAEUAGOBSA-N 0 1 238.331 2.276 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc2n(n1)CCCC2 ZINC000649558653 397950595 /nfs/dbraw/zinc/95/05/95/397950595.db2.gz WNNGOLZKVNESKM-LLVKDONJSA-N 0 1 221.348 2.450 20 0 BEADMN CN(Cc1ccncc1F)C[C@@H]1CCCOC1 ZINC000449022458 397950869 /nfs/dbraw/zinc/95/08/69/397950869.db2.gz JFTGMXYFIUZWSC-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CN(Cc1ccncc1F)C[C@H]1CCCOC1 ZINC000449022457 397950943 /nfs/dbraw/zinc/95/09/43/397950943.db2.gz JFTGMXYFIUZWSC-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CN(CCC1CC1)Cc1cc2n(n1)CCCC2 ZINC000649566663 397954719 /nfs/dbraw/zinc/95/47/19/397954719.db2.gz STIUZBZGYJNJNK-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN c1nc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)co1 ZINC000192326885 397893818 /nfs/dbraw/zinc/89/38/18/397893818.db2.gz UZTFVBSWHHQKNC-RBSFLKMASA-N 0 1 240.306 2.350 20 0 BEADMN CN(CC(=O)N(C)c1ccccc1)CC1CCC1 ZINC000111296387 397907660 /nfs/dbraw/zinc/90/76/60/397907660.db2.gz WTXFYBZXFWJWBT-UHFFFAOYSA-N 0 1 246.354 2.381 20 0 BEADMN CC(C)N(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000264089231 397915048 /nfs/dbraw/zinc/91/50/48/397915048.db2.gz RRTQRYPWADODFG-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cc2n(n1)CCC2 ZINC000649527310 397918020 /nfs/dbraw/zinc/91/80/20/397918020.db2.gz GGAJMPJIPPKHMD-LLVKDONJSA-N 0 1 221.348 2.307 20 0 BEADMN C[C@H](NCC(F)(F)CO)[C@@H]1CC2CCC1CC2 ZINC000382188069 397920154 /nfs/dbraw/zinc/92/01/54/397920154.db2.gz QYXRAYOCYMEINS-XKGSQUFQSA-N 0 1 247.329 2.418 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629376632 397926936 /nfs/dbraw/zinc/92/69/36/397926936.db2.gz JGPBHGIPPMAVJH-NAWOPXAZSA-N 0 1 237.343 2.218 20 0 BEADMN CC(C)C[C@H](N)c1noc(C[C@@H]2C[C@@H]2C)n1 ZINC000414620561 397993808 /nfs/dbraw/zinc/99/38/08/397993808.db2.gz QBWAQUZBQDMKDO-GUBZILKMSA-N 0 1 223.320 2.314 20 0 BEADMN CCCC(C)(C)c1nc(C2(N)CCC2)no1 ZINC000650228177 397997807 /nfs/dbraw/zinc/99/78/07/397997807.db2.gz VSOOZMHTZQHKAX-UHFFFAOYSA-N 0 1 223.320 2.485 20 0 BEADMN CN(Cc1cc2n(n1)CCCC2)C(C)(C)C ZINC000649636160 398016800 /nfs/dbraw/zinc/01/68/00/398016800.db2.gz MUVQNLJLPGRHBA-UHFFFAOYSA-N 0 1 221.348 2.450 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000054053201 398019424 /nfs/dbraw/zinc/01/94/24/398019424.db2.gz YTKSABQYECUASN-QMMMGPOBSA-N 0 1 233.271 2.026 20 0 BEADMN Fc1ccc(NCc2cnc[nH]2)cc1F ZINC000054763245 398039273 /nfs/dbraw/zinc/03/92/73/398039273.db2.gz BKJHJTTZWPGNMI-UHFFFAOYSA-N 0 1 209.199 2.300 20 0 BEADMN CCCC[C@H](CC)CNc1ccncc1C(N)=O ZINC000582638528 398041256 /nfs/dbraw/zinc/04/12/56/398041256.db2.gz ANAMXEWOFXKFKK-NSHDSACASA-N 0 1 249.358 2.231 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649588109 397972592 /nfs/dbraw/zinc/97/25/92/397972592.db2.gz BMNRMQFYWFSXTG-FZMZJTMJSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H]1CCCN(Cc2nccn2C)[C@H]1C ZINC000247125875 397981284 /nfs/dbraw/zinc/98/12/84/397981284.db2.gz ZADCRQYIFUYDRC-QWRGUYRKSA-N 0 1 207.321 2.041 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1CCOC1CCC1 ZINC000649718268 398060413 /nfs/dbraw/zinc/06/04/13/398060413.db2.gz WOAAKGQQJZPJNT-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)c1nc([C@H](C)N[C@H](C)CO)cs1 ZINC000186269441 398062139 /nfs/dbraw/zinc/06/21/39/398062139.db2.gz BHQOUIRFQGPKSI-BDAKNGLRSA-N 0 1 228.361 2.298 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@H](C)CO)cs1 ZINC000186269455 398062252 /nfs/dbraw/zinc/06/22/52/398062252.db2.gz BHQOUIRFQGPKSI-RKDXNWHRSA-N 0 1 228.361 2.298 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCCCO2)[C@H](C)CO1 ZINC000649730057 398068010 /nfs/dbraw/zinc/06/80/10/398068010.db2.gz KHQWUHXRHWXXBM-JHJVBQTASA-N 0 1 227.348 2.055 20 0 BEADMN COc1ccc(CN2CC[C@H](C)C(C)(C)C2)nn1 ZINC000283252607 398070279 /nfs/dbraw/zinc/07/02/79/398070279.db2.gz VMBFNAFEQMGAEZ-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CCCCOCCN1C[C@@H](CC)OC[C@@H]1C ZINC000649731305 398070995 /nfs/dbraw/zinc/07/09/95/398070995.db2.gz FWXCGNPUCYGQOI-QWHCGFSZSA-N 0 1 229.364 2.302 20 0 BEADMN CCCCOCCN1C[C@H](CC)OC[C@@H]1C ZINC000649731306 398071124 /nfs/dbraw/zinc/07/11/24/398071124.db2.gz FWXCGNPUCYGQOI-STQMWFEESA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2C)[C@H](C)CO1 ZINC000649737050 398079452 /nfs/dbraw/zinc/07/94/52/398079452.db2.gz PVMLNKNXSWYGAX-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H](COC)N[C@H](C)c1c(F)cncc1F ZINC000285657813 398080029 /nfs/dbraw/zinc/08/00/29/398080029.db2.gz LZIOLTPVAWABAD-RKDXNWHRSA-N 0 1 244.285 2.435 20 0 BEADMN C[C@@H]1c2cccn2CCN1CC[C@@H]1CCCO1 ZINC000188642314 398080925 /nfs/dbraw/zinc/08/09/25/398080925.db2.gz SMGNMZOALYWRBL-OLZOCXBDSA-N 0 1 234.343 2.434 20 0 BEADMN CC(=O)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000384317753 398081660 /nfs/dbraw/zinc/08/16/60/398081660.db2.gz WLXPOKDPBQIRNT-OAHLLOKOSA-N 0 1 247.338 2.114 20 0 BEADMN CCN(Cc1oc(C)nc1C)[C@H]1CCCOC1 ZINC000649755745 398086382 /nfs/dbraw/zinc/08/63/82/398086382.db2.gz WSNPNXKOMUMAES-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN c1oc(-c2nc([C@@H]3CCCN3)no2)c2c1CCC2 ZINC000647145492 398087069 /nfs/dbraw/zinc/08/70/69/398087069.db2.gz XCTQABDOLDKOIK-JTQLQIEISA-N 0 1 245.282 2.243 20 0 BEADMN Cc1nccc(CN2CCC[C@@H](OC(C)C)C2)n1 ZINC000649703772 398050893 /nfs/dbraw/zinc/05/08/93/398050893.db2.gz MEHIQHJLLSTJPJ-CQSZACIVSA-N 0 1 249.358 2.174 20 0 BEADMN Cc1cc(CN2CCC[C@H](OC(C)C)C2)ncn1 ZINC000649703836 398052526 /nfs/dbraw/zinc/05/25/26/398052526.db2.gz NXFCLBPJDCXAKR-AWEZNQCLSA-N 0 1 249.358 2.174 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCNC[C@H]1C(C)C ZINC000638489978 398100253 /nfs/dbraw/zinc/10/02/53/398100253.db2.gz RUUZGXRPJBRZHF-XQQFMLRXSA-N 0 1 240.391 2.125 20 0 BEADMN CC1(C)CCC(NCC(F)(F)CN)CC1 ZINC000414924488 398101078 /nfs/dbraw/zinc/10/10/78/398101078.db2.gz GNEMOMGANCLXCM-UHFFFAOYSA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)CNCc1nc(-c2ccc(O)cc2)no1 ZINC000062743511 1172776789 /nfs/dbraw/zinc/77/67/89/1172776789.db2.gz UZSUGNNYOBGBRQ-UHFFFAOYSA-N 0 1 247.298 2.188 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H](C)C(C)C ZINC000069397170 398106447 /nfs/dbraw/zinc/10/64/47/398106447.db2.gz JKARTZYRDBJBDP-VIFPVBQESA-N 0 1 223.320 2.017 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](CO)C1 ZINC000245415282 398115425 /nfs/dbraw/zinc/11/54/25/398115425.db2.gz DCSVXFXNJBMXGE-VHSXEESVSA-N 0 1 241.281 2.340 20 0 BEADMN CC(C)Cn1ncnc1CNC1(C2CCC2)CC1 ZINC000649810785 398117754 /nfs/dbraw/zinc/11/77/54/398117754.db2.gz ZCJXPQBZGXZGQS-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN CCCn1ncnc1CNC1(C2CCC2)CC1 ZINC000649811585 398119824 /nfs/dbraw/zinc/11/98/24/398119824.db2.gz XICAJHNRBOTVRF-UHFFFAOYSA-N 0 1 234.347 2.110 20 0 BEADMN C[C@]1(O)CCN(Cc2cccc(O)c2Cl)C1 ZINC000294333524 398125526 /nfs/dbraw/zinc/12/55/26/398125526.db2.gz RUCIVRGJRFZMIZ-LBPRGKRZSA-N 0 1 241.718 2.002 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)C(C)C ZINC000070125372 398126240 /nfs/dbraw/zinc/12/62/40/398126240.db2.gz RUHKQGQRTKARII-SNVBAGLBSA-N 0 1 237.347 2.059 20 0 BEADMN Cc1ccc(C)c(CNCc2ccnn2C)c1 ZINC000070141142 398126829 /nfs/dbraw/zinc/12/68/29/398126829.db2.gz CHCDSUSWZAFMKQ-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN COc1nccnc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000294595998 398128314 /nfs/dbraw/zinc/12/83/14/398128314.db2.gz SVPLNQNKWSOTND-VXGBXAGGSA-N 0 1 249.358 2.496 20 0 BEADMN CCOC(=O)CN(C[C@@H]1CC=CCC1)C1CC1 ZINC000091773001 398130639 /nfs/dbraw/zinc/13/06/39/398130639.db2.gz MOSLJAOTZDPOEP-GFCCVEGCSA-N 0 1 237.343 2.370 20 0 BEADMN C[C@H]([NH2+]Cc1cnn[n-]1)[C@H]1CCCC[C@H]1C ZINC000649831504 398130683 /nfs/dbraw/zinc/13/06/83/398130683.db2.gz VUQJMCABTVQSJQ-SCVCMEIPSA-N 0 1 222.336 2.109 20 0 BEADMN C[C@H]1CN(CCc2ccncc2)C2(CCC2)CO1 ZINC000649821345 398122515 /nfs/dbraw/zinc/12/25/15/398122515.db2.gz FHMPVVYETGIZMR-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H](c1ccccn1)N(C)C[C@H]1CCCO1 ZINC000246399104 398122929 /nfs/dbraw/zinc/12/29/29/398122929.db2.gz QIMQWDFKPMIYOE-NWDGAFQWSA-N 0 1 220.316 2.253 20 0 BEADMN C[C@H]1CC[C@H](CN2C[C@@H](C)OCC23CCC3)O1 ZINC000649821886 398123300 /nfs/dbraw/zinc/12/33/00/398123300.db2.gz SJYBRRMEKALPPS-YNEHKIRRSA-N 0 1 239.359 2.197 20 0 BEADMN CC(C)CNC(=O)c1sccc1CN(C)C ZINC000268041052 167000594 /nfs/dbraw/zinc/00/05/94/167000594.db2.gz PZTYQXSXDQGLIZ-UHFFFAOYSA-N 0 1 240.372 2.196 20 0 BEADMN NCc1nccnc1SCC1CCCC1 ZINC000062836360 1172783252 /nfs/dbraw/zinc/78/32/52/1172783252.db2.gz BSEVOFGQMONLEN-UHFFFAOYSA-N 0 1 223.345 2.218 20 0 BEADMN CC(C)NC(=O)CN[C@@H](C)c1ccc(F)cc1 ZINC000035132955 167057712 /nfs/dbraw/zinc/05/77/12/167057712.db2.gz OBMOTESYWAHWCM-JTQLQIEISA-N 0 1 238.306 2.001 20 0 BEADMN Cc1cc([C@@H]2CCCCN2Cc2ccon2)n[nH]1 ZINC001648429730 1172832499 /nfs/dbraw/zinc/83/24/99/1172832499.db2.gz QLGYLPGGSCIGOQ-ZDUSSCGKSA-N 0 1 246.314 2.433 20 0 BEADMN Cc1c[nH]nc1CN1CCCC[C@H]1[C@H]1CCCO1 ZINC001648613829 1172853860 /nfs/dbraw/zinc/85/38/60/1172853860.db2.gz FJGOKUXTLKQDSP-UONOGXRCSA-N 0 1 249.358 2.252 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2C[C@@H]2C)n1 ZINC000309455040 487558145 /nfs/dbraw/zinc/55/81/45/487558145.db2.gz NKGDJEMNDSUUHV-YIZRAAEISA-N 0 1 209.293 2.239 20 0 BEADMN CC[C@H]1CN(Cc2oc(C)nc2C)CCCO1 ZINC000685581081 487558272 /nfs/dbraw/zinc/55/82/72/487558272.db2.gz WZQOLDRGWZCTLF-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829951 487560448 /nfs/dbraw/zinc/56/04/48/487560448.db2.gz DASPLAJGAQOLHY-RISCZKNCSA-N 0 1 248.326 2.329 20 0 BEADMN CN(C)C1(C(=O)NCCCC2CCCC2)CC1 ZINC000665990454 487565764 /nfs/dbraw/zinc/56/57/64/487565764.db2.gz JKJCAFRRIWUGAX-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc(CN2CC(C3CCOCC3)C2)nc1 ZINC000669715783 487568637 /nfs/dbraw/zinc/56/86/37/487568637.db2.gz KRKDNRKUCFKCES-UHFFFAOYSA-N 0 1 246.354 2.248 20 0 BEADMN CC(C)c1cc(CN[C@@H](C)[C@H]2CCCO2)on1 ZINC000680341416 487569289 /nfs/dbraw/zinc/56/92/89/487569289.db2.gz LAENIOJJTQWDPB-GXFFZTMASA-N 0 1 238.331 2.455 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC2(CC2)C1 ZINC000334855684 487571409 /nfs/dbraw/zinc/57/14/09/487571409.db2.gz ZORFJXOFCIJFHG-UHFFFAOYSA-N 0 1 237.686 2.282 20 0 BEADMN CCN(Cc1cn[nH]c1C)c1cccc(O)c1 ZINC000668804569 487572196 /nfs/dbraw/zinc/57/21/96/487572196.db2.gz VWVDZDNRTBYZDT-UHFFFAOYSA-N 0 1 231.299 2.450 20 0 BEADMN Cc1ccsc1[C@H](CO)NCc1ccccn1 ZINC000674418027 487574030 /nfs/dbraw/zinc/57/40/30/487574030.db2.gz DXRXHAYTDNTIOG-LBPRGKRZSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)o1 ZINC000334875573 487577177 /nfs/dbraw/zinc/57/71/77/487577177.db2.gz VLYSUTQXNRZCGN-MNOVXSKESA-N 0 1 245.269 2.226 20 0 BEADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)on1 ZINC000141148513 487577553 /nfs/dbraw/zinc/57/75/53/487577553.db2.gz LXTXYTXIWUYNGG-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)on1 ZINC000141148513 487577556 /nfs/dbraw/zinc/57/75/56/487577556.db2.gz LXTXYTXIWUYNGG-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN CC(C)OCCCN1CCOC2(CCC2)C1 ZINC000154319510 167216513 /nfs/dbraw/zinc/21/65/13/167216513.db2.gz QMDNDVQBHRKCGK-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN Cc1c[nH]nc1CN(C)C[C@H]1CC1(C)C ZINC000668814872 487582591 /nfs/dbraw/zinc/58/25/91/487582591.db2.gz XBDFFZKLTNSKFK-SNVBAGLBSA-N 0 1 207.321 2.196 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccsc1 ZINC000037374527 487584049 /nfs/dbraw/zinc/58/40/49/487584049.db2.gz QTAZSFNUSQIJRR-VIFPVBQESA-N 0 1 213.302 2.043 20 0 BEADMN CO[C@@H](CN[C@H]1CCn2ccnc21)C1CCCC1 ZINC000658315175 487584184 /nfs/dbraw/zinc/58/41/84/487584184.db2.gz MLBLPMCTDOZIJE-STQMWFEESA-N 0 1 249.358 2.123 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1CCCCC1 ZINC000074852743 487584632 /nfs/dbraw/zinc/58/46/32/487584632.db2.gz LGPCQNZVTQYMGY-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccoc1 ZINC000680422939 487591236 /nfs/dbraw/zinc/59/12/36/487591236.db2.gz AMUGRYRPUUBEIH-MRVPVSSYSA-N 0 1 232.287 2.126 20 0 BEADMN CC[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1C ZINC000082318528 487594832 /nfs/dbraw/zinc/59/48/32/487594832.db2.gz GSVOISFXTJAOHU-STQMWFEESA-N 0 1 238.375 2.262 20 0 BEADMN CCCn1nccc1CN(C)[C@H]1CCSC1 ZINC000667499570 487597504 /nfs/dbraw/zinc/59/75/04/487597504.db2.gz OQKXVBBBWNNYEO-LBPRGKRZSA-N 0 1 239.388 2.230 20 0 BEADMN Cc1cc(CNc2nn(C)c3ccccc32)n[nH]1 ZINC001651676233 1172974033 /nfs/dbraw/zinc/97/40/33/1172974033.db2.gz OLBUBLOCHQYFSR-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1nc(-c2ccccc2)n(CN2CCCC2)n1 ZINC000066075093 1172976917 /nfs/dbraw/zinc/97/69/17/1172976917.db2.gz WLJHQURIAMSHDO-UHFFFAOYSA-N 0 1 242.326 2.307 20 0 BEADMN CC(C)C1(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC000674669358 487602955 /nfs/dbraw/zinc/60/29/55/487602955.db2.gz MRFOYUHJWPFQLR-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cc(OC[C@@H]2CCCO2)cc(C)n1 ZINC000556756441 322922149 /nfs/dbraw/zinc/92/21/49/322922149.db2.gz AEGGZKNLRHIJHH-NSHDSACASA-N 0 1 207.273 2.256 20 0 BEADMN F[C@@H]1CCN(CCOCc2ccccc2)C1 ZINC000660693550 409555590 /nfs/dbraw/zinc/55/55/90/409555590.db2.gz YETWWNXPZZDVKV-CYBMUJFWSA-N 0 1 223.291 2.247 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@H](NCc2coc(C)n2)C1(C)C ZINC000660702613 409590908 /nfs/dbraw/zinc/59/09/08/409590908.db2.gz ZJJURKJVNDZLPP-KPXOXKRLSA-N 0 1 238.331 2.132 20 0 BEADMN CC1(NC(=O)c2[nH]nc3c2CCCC3)CC=CC1 ZINC000655227467 409644609 /nfs/dbraw/zinc/64/46/09/409644609.db2.gz DVDXCTFQRZTZBK-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN Cc1cc(CN(C)C[C@@H]2CC2(C)C)nn1C ZINC000662345065 409657683 /nfs/dbraw/zinc/65/76/83/409657683.db2.gz VKDTWOSUWWILDI-NSHDSACASA-N 0 1 221.348 2.206 20 0 BEADMN CC(C)SCCN[C@@H](C)c1ccon1 ZINC000308668666 167331425 /nfs/dbraw/zinc/33/14/25/167331425.db2.gz ULMLLTWRTMUORK-VIFPVBQESA-N 0 1 214.334 2.467 20 0 BEADMN CC1(C)C[C@H](N2CCO[C@H](C3CCC3)C2)CO1 ZINC000660796545 409758429 /nfs/dbraw/zinc/75/84/29/409758429.db2.gz KOODESVLMJZCKW-STQMWFEESA-N 0 1 239.359 2.055 20 0 BEADMN Cc1cccc(CNCc2ccc(O)cc2)n1 ZINC000048329582 409906472 /nfs/dbraw/zinc/90/64/72/409906472.db2.gz MQIZTICCDXBJSS-UHFFFAOYSA-N 0 1 228.295 2.385 20 0 BEADMN CCCCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000308942027 409963408 /nfs/dbraw/zinc/96/34/08/409963408.db2.gz SKPGPRVWNYKPKF-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000308947359 409967343 /nfs/dbraw/zinc/96/73/43/409967343.db2.gz VHFIBISLNZXCOD-MNOVXSKESA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2cscn2)CCO1 ZINC000069891456 410012825 /nfs/dbraw/zinc/01/28/25/410012825.db2.gz JGZOVWAANYXJGI-ZYHUDNBSSA-N 0 1 240.372 2.436 20 0 BEADMN CC(C)[C@H]1C[C@@H](NCc2cscn2)CCO1 ZINC000069891460 410012837 /nfs/dbraw/zinc/01/28/37/410012837.db2.gz JGZOVWAANYXJGI-CMPLNLGQSA-N 0 1 240.372 2.436 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C1CCC1)[C@H]1C=CCCC1 ZINC000573267998 410064954 /nfs/dbraw/zinc/06/49/54/410064954.db2.gz WMVWORUXPJFVBY-QWRGUYRKSA-N 0 1 223.316 2.423 20 0 BEADMN COCc1ccc(CN[C@@H]2COC(C)(C)C2)o1 ZINC000396501023 487613322 /nfs/dbraw/zinc/61/33/22/487613322.db2.gz JNODGTICVZXIGH-JTQLQIEISA-N 0 1 239.315 2.083 20 0 BEADMN FCCOCCNCc1ccsc1Cl ZINC000663341809 410147564 /nfs/dbraw/zinc/14/75/64/410147564.db2.gz RHVSEPSLTNHILL-UHFFFAOYSA-N 0 1 237.727 2.477 20 0 BEADMN Cc1cc(C(=O)N2CCC[C@H]2C2CCC2)n[nH]1 ZINC000102876199 410148806 /nfs/dbraw/zinc/14/88/06/410148806.db2.gz UKWJCNJEESKAOD-LBPRGKRZSA-N 0 1 233.315 2.123 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663317632 410110576 /nfs/dbraw/zinc/11/05/76/410110576.db2.gz NQKAZZFVSJHTBU-VPCRRHSYSA-N 0 1 249.354 2.218 20 0 BEADMN c1nc(CN[C@@H]2CNc3ccccc3C2)cs1 ZINC000650716672 410351422 /nfs/dbraw/zinc/35/14/22/410351422.db2.gz GJYIOOHMCAGXPE-NSHDSACASA-N 0 1 245.351 2.270 20 0 BEADMN CCC(=O)CCCN1CCO[C@](C)(C2CC2)C1 ZINC000661171000 410318449 /nfs/dbraw/zinc/31/84/49/410318449.db2.gz JWWGFPYDJFHLNR-AWEZNQCLSA-N 0 1 239.359 2.247 20 0 BEADMN C[C@H](Cc1ccc(O)cc1)NCc1ccon1 ZINC000130606363 410404743 /nfs/dbraw/zinc/40/47/43/410404743.db2.gz PZIVGXMSCDLCJH-SNVBAGLBSA-N 0 1 232.283 2.101 20 0 BEADMN CN(Cc1cnc[nH]1)c1cc(C(C)(C)C)ncn1 ZINC000664128436 410462516 /nfs/dbraw/zinc/46/25/16/410462516.db2.gz YFRSZEFUBTZIRH-UHFFFAOYSA-N 0 1 245.330 2.134 20 0 BEADMN CO[C@@](C)(CN1CC(OCC(C)C)C1)C1CC1 ZINC001652025642 1173024817 /nfs/dbraw/zinc/02/48/17/1173024817.db2.gz SVXYAWFTOARQDV-AWEZNQCLSA-N 0 1 241.375 2.158 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1CCC2 ZINC000650790103 410437234 /nfs/dbraw/zinc/43/72/34/410437234.db2.gz YSEQTBUSKOZKRR-SNVBAGLBSA-N 0 1 233.311 2.080 20 0 BEADMN COc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650793776 410442200 /nfs/dbraw/zinc/44/22/00/410442200.db2.gz JLZUHBOPFQIJFA-JQWIXIFHSA-N 0 1 249.310 2.133 20 0 BEADMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])s1 ZINC000650793993 410442668 /nfs/dbraw/zinc/44/26/68/410442668.db2.gz PKNNPFXNCVNLCL-LDYMZIIASA-N 0 1 239.340 2.494 20 0 BEADMN Cc1ccsc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000650794027 410442843 /nfs/dbraw/zinc/44/28/43/410442843.db2.gz QODAHQJGJOZQJQ-NXEZZACHSA-N 0 1 239.340 2.494 20 0 BEADMN Cc1ncc(CNCC2(C(F)(F)F)CC2)o1 ZINC000628274815 410580405 /nfs/dbraw/zinc/58/04/05/410580405.db2.gz NFDZTLROCCLQMK-UHFFFAOYSA-N 0 1 234.221 2.415 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])CC2CC2)cs1 ZINC000309232265 410538647 /nfs/dbraw/zinc/53/86/47/410538647.db2.gz UEGZTXPFDKXGDS-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN c1cc(CN2CC[C@H](C3CCC3)C2)no1 ZINC000665286108 410769124 /nfs/dbraw/zinc/76/91/24/410769124.db2.gz FIXRZFMPKBIEHZ-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nc(C)no1 ZINC000651219404 410868011 /nfs/dbraw/zinc/86/80/11/410868011.db2.gz HNYPKQJHROLPKM-QMMMGPOBSA-N 0 1 211.309 2.292 20 0 BEADMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C ZINC000103294630 410888234 /nfs/dbraw/zinc/88/82/34/410888234.db2.gz DNQAYCMRRHOLNG-SECBINFHSA-N 0 1 202.257 2.354 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C ZINC000103294605 410889818 /nfs/dbraw/zinc/88/98/18/410889818.db2.gz CHXBHGDTBGWMRB-SSDOTTSWSA-N 0 1 206.220 2.184 20 0 BEADMN CC(C)N1CC[C@H](N2Cc3ccccc3C2)C1=O ZINC000177674509 167025250 /nfs/dbraw/zinc/02/52/50/167025250.db2.gz NDBYZAKOQMAGCC-AWEZNQCLSA-N 0 1 244.338 2.012 20 0 BEADMN CC(C)OCCCCNCc1cscn1 ZINC000134797606 167207132 /nfs/dbraw/zinc/20/71/32/167207132.db2.gz DHRBRJUCHRXFJT-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN CC(C)OCCN(C)[C@H](C)c1cccnc1 ZINC000134422618 167227836 /nfs/dbraw/zinc/22/78/36/167227836.db2.gz BZKONEZZFMDANE-GFCCVEGCSA-N 0 1 222.332 2.499 20 0 BEADMN CC(C)OCCN(C)[C@@H](C)c1cccnc1 ZINC000134422595 167229060 /nfs/dbraw/zinc/22/90/60/167229060.db2.gz BZKONEZZFMDANE-LBPRGKRZSA-N 0 1 222.332 2.499 20 0 BEADMN CC(C)OCCNCc1nc2ccccc2n1C ZINC000130939963 167240921 /nfs/dbraw/zinc/24/09/21/167240921.db2.gz DQTMENLSYHGRDP-UHFFFAOYSA-N 0 1 247.342 2.088 20 0 BEADMN CC(C)OC[C@@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000336691643 167261439 /nfs/dbraw/zinc/26/14/39/167261439.db2.gz BDASKXJSKOKUBH-JSGCOSHPSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)O[C@@H]1C[C@@H](NCc2cc[nH]n2)C1(C)C ZINC000361238164 167281687 /nfs/dbraw/zinc/28/16/87/167281687.db2.gz SIOBFOVLFCHGQV-VXGBXAGGSA-N 0 1 237.347 2.091 20 0 BEADMN Cn1cnnc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000661579212 410914519 /nfs/dbraw/zinc/91/45/19/410914519.db2.gz VMZUCJNZFOZHSX-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184611919 167353883 /nfs/dbraw/zinc/35/38/83/167353883.db2.gz IYBXTTQNXYABPR-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184611919 167353884 /nfs/dbraw/zinc/35/38/84/167353884.db2.gz IYBXTTQNXYABPR-MRVPVSSYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)c1ccc2cncn2c1 ZINC000339955910 167360494 /nfs/dbraw/zinc/36/04/94/167360494.db2.gz SFYVQPBDFUEJFC-NSHDSACASA-N 0 1 245.326 2.356 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000081059530 167361046 /nfs/dbraw/zinc/36/10/46/167361046.db2.gz KSTRAOJLNORMMW-WFASDCNBSA-N 0 1 248.370 2.269 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nnc2n1CCCC2 ZINC000341805828 167368449 /nfs/dbraw/zinc/36/84/49/167368449.db2.gz FNEWEQHTUKGNCG-LLVKDONJSA-N 0 1 236.363 2.091 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nc(C2CC2)no1 ZINC000341808810 167369748 /nfs/dbraw/zinc/36/97/48/167369748.db2.gz MLWFNPFOAKQZNI-SECBINFHSA-N 0 1 223.320 2.423 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@H](CO)CCF)o1 ZINC000652015855 410973157 /nfs/dbraw/zinc/97/31/57/410973157.db2.gz NCALPFDKEICZCD-JFGNBEQYSA-N 0 1 241.306 2.213 20 0 BEADMN OC[C@H](CCF)NCc1ccsc1Cl ZINC000652018742 410995460 /nfs/dbraw/zinc/99/54/60/410995460.db2.gz BDZACRQJYAMKRJ-QMMMGPOBSA-N 0 1 237.727 2.212 20 0 BEADMN CC(C)[C@](C)(CO)NCc1c(F)cccc1F ZINC000352885326 167525268 /nfs/dbraw/zinc/52/52/68/167525268.db2.gz STZNETRUOXZXHY-ZDUSSCGKSA-N 0 1 243.297 2.461 20 0 BEADMN c1nc2c(ncnc2NC2CC3(CCC3)C2)[nH]1 ZINC000651473750 411055642 /nfs/dbraw/zinc/05/56/42/411055642.db2.gz BOSGVCNHDOURAD-UHFFFAOYSA-N 0 1 229.287 2.098 20 0 BEADMN CC(C)c1cc(C(=O)N2CCC=C(F)C2)n[nH]1 ZINC000272133907 167558948 /nfs/dbraw/zinc/55/89/48/167558948.db2.gz SRIGKPWFFLHUPW-UHFFFAOYSA-N 0 1 237.278 2.232 20 0 BEADMN Cc1ccnc(N2N=C3CCCC[C@H]3C2=O)c1 ZINC000105762397 411071199 /nfs/dbraw/zinc/07/11/99/411071199.db2.gz OQZHQRIOELJGPA-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN CC(C)c1cnc(CN[C@H](CO)CCF)s1 ZINC000652020116 411022524 /nfs/dbraw/zinc/02/25/24/411022524.db2.gz LBMNPFLGQOHDNI-VIFPVBQESA-N 0 1 246.351 2.077 20 0 BEADMN CCCn1nccc1CNCc1cnccc1C ZINC000162700990 487620114 /nfs/dbraw/zinc/62/01/14/487620114.db2.gz UPHACYMAACHYAD-UHFFFAOYSA-N 0 1 244.342 2.286 20 0 BEADMN Cc1noc([C@H](C)N2CCC[C@H](C)C2)n1 ZINC000044583676 411138193 /nfs/dbraw/zinc/13/81/93/411138193.db2.gz DIPACAQMJOVBTJ-IUCAKERBSA-N 0 1 209.293 2.171 20 0 BEADMN C[C@@H]1COCCN1Cc1cccc2c1CCC2 ZINC000651786852 411143776 /nfs/dbraw/zinc/14/37/76/411143776.db2.gz SLQSSTDPMIITDF-GFCCVEGCSA-N 0 1 231.339 2.396 20 0 BEADMN C[C@H](CF)NCc1cc2cnccc2o1 ZINC000651812279 411144811 /nfs/dbraw/zinc/14/48/11/411144811.db2.gz SPEILIBUVWJFPG-MRVPVSSYSA-N 0 1 208.236 2.275 20 0 BEADMN COC[C@H]1CCN1Cc1cc2cnccc2o1 ZINC000651816858 411145330 /nfs/dbraw/zinc/14/53/30/411145330.db2.gz MRXGNWSFUJLFCN-LLVKDONJSA-N 0 1 232.283 2.049 20 0 BEADMN COc1ncncc1CN1CCC12CCCC2 ZINC000651872773 411148426 /nfs/dbraw/zinc/14/84/26/411148426.db2.gz AZRHYRZTASVELH-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CC[C@@H]1CN(Cc2cccn2C)[C@@H](CC)CO1 ZINC000651912242 411150300 /nfs/dbraw/zinc/15/03/00/411150300.db2.gz QGFKVNFPEHQQEI-GXTWGEPZSA-N 0 1 236.359 2.415 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1Cc1cccn1C ZINC000651912244 411150303 /nfs/dbraw/zinc/15/03/03/411150303.db2.gz QGFKVNFPEHQQEI-OCCSQVGLSA-N 0 1 236.359 2.415 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1NCc1ncc[nH]1 ZINC000651912416 411150326 /nfs/dbraw/zinc/15/03/26/411150326.db2.gz WYKPVADVJFIARM-VHSXEESVSA-N 0 1 207.321 2.324 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@H](C)C2)[nH]1 ZINC000659972446 411151267 /nfs/dbraw/zinc/15/12/67/411151267.db2.gz VFHGNXWNVYCPLZ-AEJSXWLSSA-N 0 1 222.336 2.016 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC2(CCC2)CC1 ZINC000653673075 411164197 /nfs/dbraw/zinc/16/41/97/411164197.db2.gz IEBSFZAGEJJQLU-NSHDSACASA-N 0 1 246.358 2.386 20 0 BEADMN CCc1cc(CN[C@@H](C)C2(OC)CCC2)on1 ZINC000657885616 411153027 /nfs/dbraw/zinc/15/30/27/411153027.db2.gz GHXUSSWUFGDBJG-JTQLQIEISA-N 0 1 238.331 2.284 20 0 BEADMN CCc1ncc(CN(CC)[C@H]2CCCOC2)cn1 ZINC000651948368 411160126 /nfs/dbraw/zinc/16/01/26/411160126.db2.gz KILWDTDHIYJUNO-ZDUSSCGKSA-N 0 1 249.358 2.040 20 0 BEADMN COc1ccc(F)c(CN(C)[C@H](C)CCO)c1 ZINC000652049316 411095178 /nfs/dbraw/zinc/09/51/78/411095178.db2.gz DSYATWIRSNZTOR-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN CCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C ZINC000110471101 411097425 /nfs/dbraw/zinc/09/74/25/411097425.db2.gz WNQGKFMJQYZYCL-VIFPVBQESA-N 0 1 232.283 2.444 20 0 BEADMN Cc1nocc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652064246 411103452 /nfs/dbraw/zinc/10/34/52/411103452.db2.gz JFAQREOJOGMZGL-JTQLQIEISA-N 0 1 228.242 2.214 20 0 BEADMN CCn1cncc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652064220 411104224 /nfs/dbraw/zinc/10/42/24/411104224.db2.gz IQULRJYCIUSXGF-NSHDSACASA-N 0 1 241.285 2.134 20 0 BEADMN CCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000047220880 411118216 /nfs/dbraw/zinc/11/82/16/411118216.db2.gz BNRIPJYKESLHIN-UHFFFAOYSA-N 0 1 238.331 2.261 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1NCCc2ccccc21 ZINC000043512346 411120824 /nfs/dbraw/zinc/12/08/24/411120824.db2.gz ZEQNUXKTEUADRB-FZMZJTMJSA-N 0 1 246.354 2.178 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1NCCc2ccccc21 ZINC000043512348 411120836 /nfs/dbraw/zinc/12/08/36/411120836.db2.gz ZEQNUXKTEUADRB-SMDDNHRTSA-N 0 1 246.354 2.178 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC[C@H](C2CC2)C1 ZINC000653677900 411169412 /nfs/dbraw/zinc/16/94/12/411169412.db2.gz KLTCPKRJYYLDIN-PWSUYJOCSA-N 0 1 246.358 2.242 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC[C@@H](C2CC2)C1 ZINC000653677901 411169564 /nfs/dbraw/zinc/16/95/64/411169564.db2.gz KLTCPKRJYYLDIN-ZYHUDNBSSA-N 0 1 246.358 2.242 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC1=CCCC1 ZINC000401101942 411176656 /nfs/dbraw/zinc/17/66/56/411176656.db2.gz FTALZZWBUZDIGF-JTQLQIEISA-N 0 1 211.305 2.282 20 0 BEADMN Cc1ccsc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656099914 411177978 /nfs/dbraw/zinc/17/79/78/411177978.db2.gz AGCBWGCFOPIUAZ-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)[C@H]2CCCC[C@H]12 ZINC000049704951 411243551 /nfs/dbraw/zinc/24/35/51/411243551.db2.gz PDQLCYUGAKSINV-WZRBSPASSA-N 0 1 247.342 2.451 20 0 BEADMN CCC[C@H](NC(=O)[C@H](C)N(C)C)C(C)(C)C ZINC000653798476 411183709 /nfs/dbraw/zinc/18/37/09/411183709.db2.gz DJLAENNVVKUHKT-QWRGUYRKSA-N 0 1 228.380 2.268 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC2(C)C)nn1 ZINC000309373667 167751756 /nfs/dbraw/zinc/75/17/56/167751756.db2.gz BRHBVZLGXXMERJ-NSHDSACASA-N 0 1 222.336 2.137 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H](C)COCC1CC1 ZINC000652287073 411187895 /nfs/dbraw/zinc/18/78/95/411187895.db2.gz MPEWCRBTAMNLOB-PWSUYJOCSA-N 0 1 249.358 2.251 20 0 BEADMN CCOC(C)(C)CN[C@@H]1CCCn2ccnc21 ZINC000655758093 411189026 /nfs/dbraw/zinc/18/90/26/411189026.db2.gz QJNSOOMPPYZSBM-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@@H](C(=O)NCC1CCCCCC1)N(C)C ZINC000653817082 411192518 /nfs/dbraw/zinc/19/25/18/411192518.db2.gz SQIHMJRFLXYUCG-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](N[C@@H](CO)CCF)c1cccc(F)c1F ZINC000652303085 411194140 /nfs/dbraw/zinc/19/41/40/411194140.db2.gz NYVOXEHYNZANBO-DTWKUNHWSA-N 0 1 247.260 2.336 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](O)C2)cs1 ZINC000294580132 411194388 /nfs/dbraw/zinc/19/43/88/411194388.db2.gz QAKJAZBBYPVCCY-LLVKDONJSA-N 0 1 211.330 2.013 20 0 BEADMN Cc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cn1 ZINC000656191154 411197251 /nfs/dbraw/zinc/19/72/51/411197251.db2.gz NRUPOFSQNUROAW-JTQLQIEISA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC=CCC1 ZINC000402133668 411197362 /nfs/dbraw/zinc/19/73/62/411197362.db2.gz FMPGUDGMDDWCCX-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)C1CCC(F)(F)CC1 ZINC000653872041 411203034 /nfs/dbraw/zinc/20/30/34/411203034.db2.gz NGYYMFJJQZJAEI-MRVPVSSYSA-N 0 1 244.289 2.108 20 0 BEADMN CC(C)C1CC(N[C@@H]2C[C@@H](C)n3ncnc32)C1 ZINC000658099828 411245374 /nfs/dbraw/zinc/24/53/74/411245374.db2.gz DQTBRGNZWXZDPA-HBIQZDMRSA-N 0 1 234.347 2.308 20 0 BEADMN C[C@H](Cc1ccoc1)N[C@H]1C[C@H](C)n2ncnc21 ZINC000658100316 411245557 /nfs/dbraw/zinc/24/55/57/411245557.db2.gz DZFMPRNOASGSSW-SCVCMEIPSA-N 0 1 246.314 2.098 20 0 BEADMN CC[N@@H+](CCCc1ccsc1)CC(=O)[O-] ZINC000652465336 411248384 /nfs/dbraw/zinc/24/83/84/411248384.db2.gz SOWYMBDHYATNGT-UHFFFAOYSA-N 0 1 227.329 2.087 20 0 BEADMN C[C@@H](O)CN(Cc1cccc(F)c1F)C1CC1 ZINC000653897096 411214553 /nfs/dbraw/zinc/21/45/53/411214553.db2.gz HYHZYXKZLDWKFU-SECBINFHSA-N 0 1 241.281 2.310 20 0 BEADMN CC(C)n1nccc1CN[C@@H]1CCC[C@@H]1F ZINC000339588429 167794671 /nfs/dbraw/zinc/79/46/71/167794671.db2.gz XOQNRZZEXLLHBA-NWDGAFQWSA-N 0 1 225.311 2.444 20 0 BEADMN CCC[C@H](N[C@H]1CCNC1=O)c1ccsc1 ZINC000658052936 411219886 /nfs/dbraw/zinc/21/98/86/411219886.db2.gz RFRJFQDXWOXCBE-QWRGUYRKSA-N 0 1 238.356 2.067 20 0 BEADMN C[C@@H](F)CC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000652455558 411246736 /nfs/dbraw/zinc/24/67/36/411246736.db2.gz POGFHQDVDKRTPR-LLVKDONJSA-N 0 1 239.290 2.321 20 0 BEADMN Cc1nc(CN(C(C)C)C2CCOCC2)co1 ZINC000660079614 411221246 /nfs/dbraw/zinc/22/12/46/411221246.db2.gz MOPXMQTVBSAJAF-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN COc1ccc2c(c1)CN(Cc1[nH]ncc1C)C2 ZINC000656274659 411224227 /nfs/dbraw/zinc/22/42/27/411224227.db2.gz DFOLDUCXHIRROQ-UHFFFAOYSA-N 0 1 243.310 2.243 20 0 BEADMN CC[C@H](N[C@H]1COC(C)(C)C1)c1ccn(C)n1 ZINC000658057881 411225151 /nfs/dbraw/zinc/22/51/51/411225151.db2.gz JWNJLMVHAMZJJK-MNOVXSKESA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000652401200 411229422 /nfs/dbraw/zinc/22/94/22/411229422.db2.gz QKPVUQLFYGFGAE-JOYOIKCWSA-N 0 1 237.274 2.293 20 0 BEADMN CC(C)=CCNCc1cc2n(n1)CCCC2 ZINC000655765198 411247665 /nfs/dbraw/zinc/24/76/65/411247665.db2.gz ASJXJXVTDCEPEE-UHFFFAOYSA-N 0 1 219.332 2.275 20 0 BEADMN C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CCC1 ZINC000652416862 411235773 /nfs/dbraw/zinc/23/57/73/411235773.db2.gz HXRXHJHHQAITNQ-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C[C@H]1C ZINC000652418499 411236676 /nfs/dbraw/zinc/23/66/76/411236676.db2.gz VOMVRIVYQZPVJM-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@H]1CCn2ccnc21 ZINC000658089778 411239954 /nfs/dbraw/zinc/23/99/54/411239954.db2.gz BANQWSMBVFFKPE-STQMWFEESA-N 0 1 249.358 2.123 20 0 BEADMN C[C@H]1C[N@H+](CCCCC(=O)[O-])CC[C@@H]1C ZINC000123763479 411165636 /nfs/dbraw/zinc/16/56/36/411165636.db2.gz RVIJHXPJZRHSCY-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H](C)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000050427025 411261348 /nfs/dbraw/zinc/26/13/48/411261348.db2.gz HFSOJSGTFOSBLB-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515131 411262618 /nfs/dbraw/zinc/26/26/18/411262618.db2.gz PRVKUVRIFRJPKI-ZMLRMANQSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)(C)n1cc([C@H](N)c2ccccc2)nn1 ZINC000656454784 411263029 /nfs/dbraw/zinc/26/30/29/411263029.db2.gz LMRRGPTXJLCHSA-GFCCVEGCSA-N 0 1 230.315 2.081 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1nsc2ccccc21 ZINC000660148248 411263705 /nfs/dbraw/zinc/26/37/05/411263705.db2.gz JITCBTGZTUDVMC-NXEZZACHSA-N 0 1 248.351 2.251 20 0 BEADMN OC/C=C\CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000658139009 411263790 /nfs/dbraw/zinc/26/37/90/411263790.db2.gz PSPJUJMRDOVVGS-DSYXLKISSA-N 0 1 249.358 2.169 20 0 BEADMN Cc1cc([C@H](C)NC/C=C\CO)oc1C ZINC000658138518 411263845 /nfs/dbraw/zinc/26/38/45/411263845.db2.gz NULXJHMXAIXBOK-LWTINBJPSA-N 0 1 209.289 2.096 20 0 BEADMN N[C@H](c1cn(C2CC2)nn1)c1ccc(Cl)cc1 ZINC000656455585 411263944 /nfs/dbraw/zinc/26/39/44/411263944.db2.gz GNKJIIIUCLPFAW-LBPRGKRZSA-N 0 1 248.717 2.315 20 0 BEADMN OC/C=C\CN[C@H]1CCc2c1c(F)ccc2F ZINC000658142666 411265912 /nfs/dbraw/zinc/26/59/12/411265912.db2.gz YHGQSJYNLTUFJS-BIOMNHJASA-N 0 1 239.265 2.090 20 0 BEADMN N[C@H](c1cn(CCCCF)nn1)c1ccccc1 ZINC000656457796 411267006 /nfs/dbraw/zinc/26/70/06/411267006.db2.gz QYQHFIGMRODUTF-ZDUSSCGKSA-N 0 1 248.305 2.076 20 0 BEADMN CN[C@H](C)c1cn([C@@]2(C)CCCC[C@H]2C)nn1 ZINC000656459429 411269172 /nfs/dbraw/zinc/26/91/72/411269172.db2.gz UEDKXZIKKIVKCD-WZRBSPASSA-N 0 1 236.363 2.484 20 0 BEADMN CN[C@H](C)c1cn([C@]2(C)CCCC[C@@H]2C)nn1 ZINC000656459426 411269424 /nfs/dbraw/zinc/26/94/24/411269424.db2.gz UEDKXZIKKIVKCD-DMDPSCGWSA-N 0 1 236.363 2.484 20 0 BEADMN C[C@H]1C[C@H](NCc2ncn(C)n2)CC(C)(C)C1 ZINC000092851211 411270534 /nfs/dbraw/zinc/27/05/34/411270534.db2.gz ZAKOLTPQSPRPKA-QWRGUYRKSA-N 0 1 236.363 2.120 20 0 BEADMN C[C@H]1CN(Cc2nsc3ccccc32)C[C@H]1O ZINC000660159900 411271915 /nfs/dbraw/zinc/27/19/15/411271915.db2.gz HOYGQMDVWPYPPI-JOYOIKCWSA-N 0 1 248.351 2.109 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])[C@H]1CCCOC1 ZINC000402603355 411272686 /nfs/dbraw/zinc/27/26/86/411272686.db2.gz LNWLLGOWALBTIO-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CCc1ccccc1-n1cc(C(C)(C)NC)nn1 ZINC000656451180 411274052 /nfs/dbraw/zinc/27/40/52/411274052.db2.gz KLIWDTNJFQHBDU-UHFFFAOYSA-N 0 1 244.342 2.284 20 0 BEADMN O=C([O-])CC[N@@H+](CCC1CCC1)CC1CC1 ZINC000659788288 411275632 /nfs/dbraw/zinc/27/56/32/411275632.db2.gz GOHLFKYUDAMASQ-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC)CCC(=O)[O-] ZINC000659788119 411275653 /nfs/dbraw/zinc/27/56/53/411275653.db2.gz IOVNMQJEZLBUAS-SECBINFHSA-N 0 1 237.290 2.464 20 0 BEADMN CCCC(CCC)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658162590 411276330 /nfs/dbraw/zinc/27/63/30/411276330.db2.gz UYZZBCMRMONNMY-UHFFFAOYSA-N 0 1 240.351 2.010 20 0 BEADMN CCn1nncc1CN[C@H](C)c1ccc(F)cc1 ZINC000656488420 411284074 /nfs/dbraw/zinc/28/40/74/411284074.db2.gz OCXNNLRAUXUBGG-SNVBAGLBSA-N 0 1 248.305 2.288 20 0 BEADMN O=C([O-])C[N@@H+](CC1=CCCC1)C1CCC1 ZINC000659792677 411285293 /nfs/dbraw/zinc/28/52/93/411285293.db2.gz SJCXXYQLZFUQSI-UHFFFAOYSA-N 0 1 209.289 2.036 20 0 BEADMN CO[C@@H](C)Cc1nc(=O)c2sc(C)cc2[nH]1 ZINC000656491592 411285550 /nfs/dbraw/zinc/28/55/50/411285550.db2.gz PSAGMTCCYZRNAP-LURJTMIESA-N 0 1 238.312 2.283 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799292 411289601 /nfs/dbraw/zinc/28/96/01/411289601.db2.gz ABKIUVOVOCPRNG-BREBYQMCSA-N 0 1 249.285 2.293 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccoc2)no1 ZINC000658203719 411291711 /nfs/dbraw/zinc/29/17/11/411291711.db2.gz YTWFWPLRWPLCJC-SNVBAGLBSA-N 0 1 220.272 2.469 20 0 BEADMN CCNCc1cn(C[C@@H]2CCC[C@H](C)C2)nn1 ZINC000383729878 411293060 /nfs/dbraw/zinc/29/30/60/411293060.db2.gz WQVKKUKKKGTDAE-NWDGAFQWSA-N 0 1 236.363 2.214 20 0 BEADMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccn(C)n1 ZINC000658216358 411297167 /nfs/dbraw/zinc/29/71/67/411297167.db2.gz RIJQQKRCCWSNAL-UTUOFQBUSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cc([C@H](C)NC[C@]2(C)CC2(F)F)nn1C ZINC000658220809 411300103 /nfs/dbraw/zinc/30/01/03/411300103.db2.gz IQKNCEUPWRLBGM-ONGXEEELSA-N 0 1 243.301 2.424 20 0 BEADMN COc1ccnc(CN[C@@H]2C[C@@H](C)[C@H]2C)c1F ZINC000658220965 411300559 /nfs/dbraw/zinc/30/05/59/411300559.db2.gz BZYXDUQHUZMADJ-OPRDCNLKSA-N 0 1 238.306 2.363 20 0 BEADMN CCc1nc([C@@H](C)N(C)Cc2ccco2)n[nH]1 ZINC000659816101 411302960 /nfs/dbraw/zinc/30/29/60/411302960.db2.gz OLTDPSUUTGTIIZ-SECBINFHSA-N 0 1 234.303 2.153 20 0 BEADMN CCC/C=C\c1nc([C@H]2CCCN2)no1 ZINC000656560542 411303812 /nfs/dbraw/zinc/30/38/12/411303812.db2.gz APKZFUMNRIMAIB-WQAKUFEDSA-N 0 1 207.277 2.307 20 0 BEADMN CC(C)[C@H](NCC(F)F)C1(CO)CCCC1 ZINC000656589944 411305940 /nfs/dbraw/zinc/30/59/40/411305940.db2.gz NSLOFLUDIOWQAL-NSHDSACASA-N 0 1 235.318 2.418 20 0 BEADMN Cc1ccc(C(=O)N2CCNC[C@@H]2C(C)C)cc1 ZINC000062622128 411310696 /nfs/dbraw/zinc/31/06/96/411310696.db2.gz DRCNBJLWNNTVCD-CQSZACIVSA-N 0 1 246.354 2.065 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)[nH]1 ZINC000659828052 411310809 /nfs/dbraw/zinc/31/08/09/411310809.db2.gz DLOOJCXBPFXAMG-DCAQKATOSA-N 0 1 236.363 2.406 20 0 BEADMN C[C@@H](NC[C@@H](CO)CC1CC1)c1nccs1 ZINC000658246168 411311586 /nfs/dbraw/zinc/31/15/86/411311586.db2.gz BRLSRZWMDRQVKN-KOLCDFICSA-N 0 1 240.372 2.202 20 0 BEADMN Cc1c(CN2CC3(C2)CCCC3)cnn1C ZINC000656623164 411311961 /nfs/dbraw/zinc/31/19/61/411311961.db2.gz UQZKLIFHTPFMLD-UHFFFAOYSA-N 0 1 219.332 2.105 20 0 BEADMN CC(C)=CCCN(C)CC(=O)NC(C)(C)C ZINC000659831984 411314005 /nfs/dbraw/zinc/31/40/05/411314005.db2.gz WWRYCYLYIFSMQD-UHFFFAOYSA-N 0 1 226.364 2.189 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H](CO)CC2CC2)no1 ZINC000658254219 411316208 /nfs/dbraw/zinc/31/62/08/411316208.db2.gz QEVQZCKIHSKCKY-ZYHUDNBSSA-N 0 1 238.331 2.042 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H](C)O[C@@H](C)C2)cn1 ZINC000661852869 411319413 /nfs/dbraw/zinc/31/94/13/411319413.db2.gz JYETWROZAIQWMP-FRRDWIJNSA-N 0 1 249.358 2.345 20 0 BEADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccn(C)n1 ZINC000658283221 411321815 /nfs/dbraw/zinc/32/18/15/411321815.db2.gz YPSFUJYPEKKASI-WCBMZHEXSA-N 0 1 243.301 2.362 20 0 BEADMN Cc1nc(CN2CCCCC[C@H]2CO)cs1 ZINC000124803469 411322411 /nfs/dbraw/zinc/32/24/11/411322411.db2.gz RSICNTBUCSASPL-LBPRGKRZSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1nc(CN2CCCCC[C@@H]2CO)cs1 ZINC000124803265 411322558 /nfs/dbraw/zinc/32/25/58/411322558.db2.gz RSICNTBUCSASPL-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1cnccn1 ZINC000658292652 411325636 /nfs/dbraw/zinc/32/56/36/411325636.db2.gz FMUGSJYGBAQJQU-SNVBAGLBSA-N 0 1 203.289 2.238 20 0 BEADMN CC[C@@H](C)C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467651 411249272 /nfs/dbraw/zinc/24/92/72/411249272.db2.gz GSANAJGEDZGISO-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])CC[N@@H+](CCc1ccccc1)CC1CC1 ZINC000652467975 411249610 /nfs/dbraw/zinc/24/96/10/411249610.db2.gz RCYOTZZLDGPTQE-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN CC(C)(O)C1CN(Cc2cc3ccccc3[nH]2)C1 ZINC000656702186 411326334 /nfs/dbraw/zinc/32/63/34/411326334.db2.gz OHUXJOXIMCKGPN-UHFFFAOYSA-N 0 1 244.338 2.371 20 0 BEADMN CC(C)Cn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000656442965 411251369 /nfs/dbraw/zinc/25/13/69/411251369.db2.gz MJXFOPNGNWTUGR-CYBMUJFWSA-N 0 1 248.305 2.121 20 0 BEADMN CCc1ccc([C@@H](C)NC/C=C/CO)o1 ZINC000658131700 411255395 /nfs/dbraw/zinc/25/53/95/411255395.db2.gz DBCOTMDSXDYQEF-ORAHPGNNSA-N 0 1 209.289 2.041 20 0 BEADMN CO[C@@H]([C@@H](C)N[C@H]1CCCn2ccnc21)C1CC1 ZINC000655774085 411257003 /nfs/dbraw/zinc/25/70/03/411257003.db2.gz PJPRYLDKQSPBOY-WXHSDQCUSA-N 0 1 249.358 2.121 20 0 BEADMN CCc1nc(NC2(CC(=O)[O-])CCC2)cc(C)[nH+]1 ZINC000310689783 411257176 /nfs/dbraw/zinc/25/71/76/411257176.db2.gz PKRCVGMHDDNKHQ-UHFFFAOYSA-N 0 1 249.314 2.157 20 0 BEADMN C[C@H](C[N@@H+](CC1(C)CCC1)C1CC1)C(=O)[O-] ZINC000652488799 411257353 /nfs/dbraw/zinc/25/73/53/411257353.db2.gz MAAOIEHQTKRYCG-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000652502724 411259612 /nfs/dbraw/zinc/25/96/12/411259612.db2.gz VKSFYYPSRXKJDW-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501659 411259955 /nfs/dbraw/zinc/25/99/55/411259955.db2.gz GDSPNDMEDALBPH-AWEZNQCLSA-N 0 1 233.311 2.123 20 0 BEADMN CC(C)CCn1cc([C@H](N)c2ccccc2)nn1 ZINC000656442124 411260753 /nfs/dbraw/zinc/26/07/53/411260753.db2.gz BCNMMJITFDNKTL-CQSZACIVSA-N 0 1 244.342 2.372 20 0 BEADMN C[C@@H](N[C@H]1C[C@H](O)C1)c1cc(F)ccc1F ZINC000658348929 411349879 /nfs/dbraw/zinc/34/98/79/411349879.db2.gz DPLJFGPPGFKWHN-SZEHBUNVSA-N 0 1 227.254 2.139 20 0 BEADMN C[C@@H](N[C@H]1C[C@H](O)C1)c1cccc(F)c1F ZINC000658349280 411350520 /nfs/dbraw/zinc/35/05/20/411350520.db2.gz IPBDAVBDSCRDPK-IWSPIJDZSA-N 0 1 227.254 2.139 20 0 BEADMN CC1(C)CN(C(=O)c2cnc[nH]2)[C@@H]2CCC[C@@H]21 ZINC000294820619 167952077 /nfs/dbraw/zinc/95/20/77/167952077.db2.gz QJYZQOHEYFYMHN-GXSJLCMTSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760304 411354955 /nfs/dbraw/zinc/35/49/55/411354955.db2.gz BWBNWBCCGYOJCO-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(CO)cc2)[C@H](C)CO1 ZINC000403849996 411361844 /nfs/dbraw/zinc/36/18/44/411361844.db2.gz SKESRXIUCUMXTF-IUODEOHRSA-N 0 1 249.354 2.178 20 0 BEADMN C[C@@H]1C[C@H](c2cccnc2)N(Cc2cn[nH]c2)C1 ZINC000660278585 411364247 /nfs/dbraw/zinc/36/42/47/411364247.db2.gz OIIFHVFGEIDASI-BXUZGUMPSA-N 0 1 242.326 2.388 20 0 BEADMN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cn[nH]c2)C1 ZINC000660278586 411364288 /nfs/dbraw/zinc/36/42/88/411364288.db2.gz OIIFHVFGEIDASI-FZMZJTMJSA-N 0 1 242.326 2.388 20 0 BEADMN COc1ccnc(NCc2nccn2C(C)C)c1 ZINC000656772005 411364506 /nfs/dbraw/zinc/36/45/06/411364506.db2.gz OJBNVQNXOMAAIL-UHFFFAOYSA-N 0 1 246.314 2.480 20 0 BEADMN CCC[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000070947181 411370016 /nfs/dbraw/zinc/37/00/16/411370016.db2.gz IPOBSKWBIQNWCK-RKDXNWHRSA-N 0 1 209.293 2.398 20 0 BEADMN Cc1occc1-c1nc([C@@H]2CCCN2)no1 ZINC000070947225 411370209 /nfs/dbraw/zinc/37/02/09/411370209.db2.gz BBIIMRVLMBFFCN-VIFPVBQESA-N 0 1 219.244 2.063 20 0 BEADMN Cc1c[nH]nc1CN[C@H]1CCc2cc(N)ccc21 ZINC000656791260 411370404 /nfs/dbraw/zinc/37/04/04/411370404.db2.gz GRXBGAIEFMDSQY-ZDUSSCGKSA-N 0 1 242.326 2.077 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H]3C[C@H]3C2)o1 ZINC000661967404 411334794 /nfs/dbraw/zinc/33/47/94/411334794.db2.gz DHWXPFFWLBLKSK-DCAQKATOSA-N 0 1 206.289 2.386 20 0 BEADMN CC[C@H](O)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000656709506 411336224 /nfs/dbraw/zinc/33/62/24/411336224.db2.gz XAQDMLMLIMYGDY-QWHCGFSZSA-N 0 1 223.291 2.343 20 0 BEADMN COC[C@@H](CC(C)C)N[C@H](C)c1nccn1C ZINC000658335686 411343591 /nfs/dbraw/zinc/34/35/91/411343591.db2.gz FGEJAYHSLNPCGF-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CC1(C)[C@H](NCc2cscn2)[C@@H]2CCO[C@H]21 ZINC000227073436 168006472 /nfs/dbraw/zinc/00/64/72/168006472.db2.gz SJVYTOMOWDTVSI-HBNTYKKESA-N 0 1 238.356 2.046 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cc(F)ccc1F ZINC000310355845 168006941 /nfs/dbraw/zinc/00/69/41/168006941.db2.gz RVLFEOCNJCKPQW-GFCCVEGCSA-N 0 1 241.281 2.310 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccc(F)c(F)c1 ZINC000335072345 168007318 /nfs/dbraw/zinc/00/73/18/168007318.db2.gz XJZDETMZIAQDGR-GFCCVEGCSA-N 0 1 241.281 2.310 20 0 BEADMN CC1(CNC(=O)c2[nH]nc3c2CCC3)CCCC1 ZINC000108826037 168039864 /nfs/dbraw/zinc/03/98/64/168039864.db2.gz FCKUJIOTUJQRSO-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN CC(C)(C)c1n[nH]c(SCC2(C)COC2)n1 ZINC000357990312 168051652 /nfs/dbraw/zinc/05/16/52/168051652.db2.gz OYWDEYYEORSZBN-UHFFFAOYSA-N 0 1 241.360 2.231 20 0 BEADMN CC(C)(C)c1nc(SCC2(C)COC2)n[nH]1 ZINC000357990312 168051655 /nfs/dbraw/zinc/05/16/55/168051655.db2.gz OYWDEYYEORSZBN-UHFFFAOYSA-N 0 1 241.360 2.231 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC(F)F)[C@H]2CCCC[C@H]12 ZINC000656765272 411348557 /nfs/dbraw/zinc/34/85/57/411348557.db2.gz JHQOHBZQJNAEDD-BBBLOLIVSA-N 0 1 247.285 2.217 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000656763892 411348884 /nfs/dbraw/zinc/34/88/84/411348884.db2.gz SOVWGPNSYBQTBN-NSHDSACASA-N 0 1 231.311 2.313 20 0 BEADMN CC1=C(C)CN(Cc2cncnc2)CC1 ZINC000281012033 168085353 /nfs/dbraw/zinc/08/53/53/168085353.db2.gz YRGGCPAWGRBEAZ-UHFFFAOYSA-N 0 1 203.289 2.019 20 0 BEADMN Cc1cnc([C@@H](C)N2CCC=C(C)C2)cn1 ZINC000336515672 168099506 /nfs/dbraw/zinc/09/95/06/168099506.db2.gz YBYGAVMNIDTXBP-GFCCVEGCSA-N 0 1 217.316 2.498 20 0 BEADMN CC(C)(C(=O)NC1CC2(CCC2)C1)c1cnc[nH]1 ZINC000652969427 411380433 /nfs/dbraw/zinc/38/04/33/411380433.db2.gz ALMOBSYAARDNCX-UHFFFAOYSA-N 0 1 247.342 2.136 20 0 BEADMN CCc1nnc([C@@H](C)N(C)C[C@@H](C)CC)[nH]1 ZINC000659916540 411381540 /nfs/dbraw/zinc/38/15/40/411381540.db2.gz NBEPYNSCLBVPRK-VHSXEESVSA-N 0 1 224.352 2.406 20 0 BEADMN CC1CCC(CNC(=O)[C@H]2CCCN2C)CC1 ZINC000354291303 168155627 /nfs/dbraw/zinc/15/56/27/168155627.db2.gz IDBRJONRVMQWAJ-WXRRBKDZSA-N 0 1 238.375 2.023 20 0 BEADMN CC1CCN(CC(=O)N[C@H]2CCC2(C)C)CC1 ZINC000346152932 168179295 /nfs/dbraw/zinc/17/92/95/168179295.db2.gz FJIDLFPFZBAFPG-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[C@H](C)c1nc([C@H]2CCCN2)no1 ZINC000069690947 411384231 /nfs/dbraw/zinc/38/42/31/411384231.db2.gz OCUHXJAOZCKSGN-DTWKUNHWSA-N 0 1 209.293 2.254 20 0 BEADMN CCC(C)(C)C(=O)NCc1ccc2cncn2c1 ZINC000297355191 168266199 /nfs/dbraw/zinc/26/61/99/168266199.db2.gz UXWZRVSNLMDALU-UHFFFAOYSA-N 0 1 245.326 2.387 20 0 BEADMN CCC(C)(C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184564499 168270491 /nfs/dbraw/zinc/27/04/91/168270491.db2.gz DRTPBLGZITYFDS-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC(C)(C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184564499 168270493 /nfs/dbraw/zinc/27/04/93/168270493.db2.gz DRTPBLGZITYFDS-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC(C)(C)CC(=O)Nc1nc(SC)n[nH]1 ZINC000362630618 168275404 /nfs/dbraw/zinc/27/54/04/168275404.db2.gz PYBSSUPPFXIMJF-UHFFFAOYSA-N 0 1 242.348 2.291 20 0 BEADMN CCC(C)(C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000192226968 168281073 /nfs/dbraw/zinc/28/10/73/168281073.db2.gz SIGHJJUZJHNTCE-JTQLQIEISA-N 0 1 249.358 2.382 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000659788469 411454846 /nfs/dbraw/zinc/45/48/46/411454846.db2.gz IQXXJFJOWUFNFC-BXKDBHETSA-N 0 1 249.301 2.464 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000659786514 411454949 /nfs/dbraw/zinc/45/49/49/411454949.db2.gz QAWUVZVFSRQIMI-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(C)(C)NC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000336533031 168295315 /nfs/dbraw/zinc/29/53/15/168295315.db2.gz MUIILAGLIOOGTQ-VIFPVBQESA-N 0 1 235.331 2.134 20 0 BEADMN CCC(C)(C)NC(=O)c1ccc2cncn2c1 ZINC000283242713 168296921 /nfs/dbraw/zinc/29/69/21/168296921.db2.gz AGASFAFHQGTVNZ-UHFFFAOYSA-N 0 1 231.299 2.253 20 0 BEADMN CCC(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000158802546 168297777 /nfs/dbraw/zinc/29/77/77/168297777.db2.gz DRPKGUJTWBBWSO-UHFFFAOYSA-N 0 1 231.299 2.481 20 0 BEADMN CC[C@H]1C[C@@H](NCc2nc(C)cs2)CO1 ZINC000657301638 411455301 /nfs/dbraw/zinc/45/53/01/411455301.db2.gz KIZRHHCFNBGJPA-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000308859852 168303920 /nfs/dbraw/zinc/30/39/20/168303920.db2.gz RAQWFBOVXYCWNJ-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](F)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000659791600 411455693 /nfs/dbraw/zinc/45/56/93/411455693.db2.gz JKEAAFWUQSMVIO-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN CCC(C)(CC)NC(=O)NCc1cn[nH]c1C ZINC000273257633 168308382 /nfs/dbraw/zinc/30/83/82/168308382.db2.gz XFWZXIBKEOWYIK-UHFFFAOYSA-N 0 1 238.335 2.096 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799553 411456714 /nfs/dbraw/zinc/45/67/14/411456714.db2.gz FKFPUCPUEASXJO-IEBDPFPHSA-N 0 1 237.324 2.216 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC1CC=CC1)C1CCC1 ZINC000659795200 411456931 /nfs/dbraw/zinc/45/69/31/411456931.db2.gz RTUBRDWEKMQPKE-JTQLQIEISA-N 0 1 223.316 2.280 20 0 BEADMN Cc1oc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000659800737 411457650 /nfs/dbraw/zinc/45/76/50/411457650.db2.gz XDAJCGPNNRHGLE-UWVGGRQHSA-N 0 1 235.283 2.128 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659800585 411457709 /nfs/dbraw/zinc/45/77/09/411457709.db2.gz WDHLFAGKGAVIAR-PSASIEDQSA-N 0 1 237.324 2.288 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659800983 411458222 /nfs/dbraw/zinc/45/82/22/411458222.db2.gz COJDSUIGFLNWQV-MXWKQRLJSA-N 0 1 213.321 2.075 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802695 411459362 /nfs/dbraw/zinc/45/93/62/411459362.db2.gz SZAKRFJHYAARSQ-OLZOCXBDSA-N 0 1 237.343 2.362 20 0 BEADMN CCC1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CCC1 ZINC000654877612 411459603 /nfs/dbraw/zinc/45/96/03/411459603.db2.gz YOXNVJMTGWEACS-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN CN(Cc1ccco1)[C@@H]1COC(C)(C)C1 ZINC000659815109 411461219 /nfs/dbraw/zinc/46/12/19/411461219.db2.gz AKWKTMHUEFGXFP-JTQLQIEISA-N 0 1 209.289 2.279 20 0 BEADMN C[C@@H](CO)CN1CCc2cccc(Cl)c2C1 ZINC000657080788 411400744 /nfs/dbraw/zinc/40/07/44/411400744.db2.gz NGLAERATVPSFLX-SNVBAGLBSA-N 0 1 239.746 2.327 20 0 BEADMN CCN(C[C@H]1Cc2ccccc21)C1COC1 ZINC000451282954 411403690 /nfs/dbraw/zinc/40/36/90/411403690.db2.gz DIBQZMNBYJYQFY-GFCCVEGCSA-N 0 1 217.312 2.047 20 0 BEADMN C=C[C@@H](C(=O)[O-])[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404988979 411413357 /nfs/dbraw/zinc/41/33/57/411413357.db2.gz FZHAFKVUGNAYMC-RISCZKNCSA-N 0 1 245.322 2.287 20 0 BEADMN CCN(Cc1ccccc1)[C@H]1CCN(CC)C1=O ZINC000659815011 411462083 /nfs/dbraw/zinc/46/20/83/411462083.db2.gz YQSHETKBRWBPKQ-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1ccc(CN2CCC[C@@H]3COC[C@@H]32)o1 ZINC000657208957 411418906 /nfs/dbraw/zinc/41/89/06/411418906.db2.gz JMDMNMBXAVBSLJ-YPMHNXCESA-N 0 1 221.300 2.199 20 0 BEADMN C[C@@H]1CN(CCOCc2ccccc2)[C@H](C)CO1 ZINC000659821426 411462473 /nfs/dbraw/zinc/46/24/73/411462473.db2.gz NMDDYCYCYJJFLY-ZIAGYGMSSA-N 0 1 249.354 2.312 20 0 BEADMN CCc1nc([C@H](C)Sc2ncccn2)n[nH]1 ZINC000657227139 411421389 /nfs/dbraw/zinc/42/13/89/411421389.db2.gz BOBBJBVTZGHWDM-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN CC[C@]1(C)CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000653560756 411421764 /nfs/dbraw/zinc/42/17/64/411421764.db2.gz BQWIQKHHRMYTNP-SMDDNHRTSA-N 0 1 248.374 2.462 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@H]1CCCCN1C ZINC000654647665 411421971 /nfs/dbraw/zinc/42/19/71/411421971.db2.gz DDBBJECHFNOEQB-NWDGAFQWSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2cnccc2c1)N(C)C ZINC000654654512 411423074 /nfs/dbraw/zinc/42/30/74/411423074.db2.gz KDKSKIKHXKOISV-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN CCc1nc(SCc2cc(C)nc(C)n2)n[nH]1 ZINC000657239444 411427395 /nfs/dbraw/zinc/42/73/95/411427395.db2.gz MLEZIRGRTQDTHQ-UHFFFAOYSA-N 0 1 249.343 2.066 20 0 BEADMN CCc1n[nH]c(SCc2cc(C)nc(C)n2)n1 ZINC000657239444 411427398 /nfs/dbraw/zinc/42/73/98/411427398.db2.gz MLEZIRGRTQDTHQ-UHFFFAOYSA-N 0 1 249.343 2.066 20 0 BEADMN COCC1(N(C)Cc2ccc(C)nc2)CC1 ZINC000653593962 411428945 /nfs/dbraw/zinc/42/89/45/411428945.db2.gz YQBSFZFLIMYUFY-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881037 411430580 /nfs/dbraw/zinc/43/05/80/411430580.db2.gz RPUFSIBZQGOFGD-RISCZKNCSA-N 0 1 234.343 2.165 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000070618057 411431783 /nfs/dbraw/zinc/43/17/83/411431783.db2.gz NTAQWIZKIXDSSP-LBPRGKRZSA-N 0 1 213.321 2.362 20 0 BEADMN CO[C@H](CSc1cn[nH]n1)C1CCCCC1 ZINC000657252043 411434986 /nfs/dbraw/zinc/43/49/86/411434986.db2.gz QDDFCCQONFWJFQ-SNVBAGLBSA-N 0 1 241.360 2.492 20 0 BEADMN CCc1nc([C@@H](C)Sc2cnccn2)n[nH]1 ZINC000657251653 411435181 /nfs/dbraw/zinc/43/51/81/411435181.db2.gz QNNVMPJDBCCOQX-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN C[C@@H]1CC[C@@H](NCc2cocn2)CS1 ZINC000655733360 411442222 /nfs/dbraw/zinc/44/22/22/411442222.db2.gz LRMTUVAVWVTNQT-RKDXNWHRSA-N 0 1 212.318 2.048 20 0 BEADMN C[C@H]1CC[C@@H](NCc2cocn2)CS1 ZINC000655733358 411442574 /nfs/dbraw/zinc/44/25/74/411442574.db2.gz LRMTUVAVWVTNQT-DTWKUNHWSA-N 0 1 212.318 2.048 20 0 BEADMN FC1(F)CC[C@@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655746298 411448009 /nfs/dbraw/zinc/44/80/09/411448009.db2.gz RSJDVFPFTFWLPO-NXEZZACHSA-N 0 1 241.285 2.495 20 0 BEADMN C[C@H](N[C@H]1CCCn2ccnc21)[C@H]1CCCCO1 ZINC000655747424 411448132 /nfs/dbraw/zinc/44/81/32/411448132.db2.gz FNBSGXKYHLKBBN-RWMBFGLXSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000659788560 411454559 /nfs/dbraw/zinc/45/45/59/411454559.db2.gz KNWQSXYMAFWFLU-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN CCC[C@H](C)N(C)Cc1cc(OC)no1 ZINC000659837006 411470042 /nfs/dbraw/zinc/47/00/42/411470042.db2.gz WMJBCHRLAQNNSI-VIFPVBQESA-N 0 1 212.293 2.304 20 0 BEADMN CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000307459149 411473641 /nfs/dbraw/zinc/47/36/41/411473641.db2.gz DNROZWDSUXPFDV-UHFFFAOYSA-N 0 1 203.600 2.143 20 0 BEADMN CCN(Cc1nc(C)oc1C)C[C@@H]1CCOC1 ZINC000659845148 411474446 /nfs/dbraw/zinc/47/44/46/411474446.db2.gz HGWOQAYGZLHJBR-LBPRGKRZSA-N 0 1 238.331 2.150 20 0 BEADMN CCc1nc([C@@H](C)N(C)Cc2ccoc2)n[nH]1 ZINC000659851876 411477085 /nfs/dbraw/zinc/47/70/85/411477085.db2.gz KCWFXZDIXHHUFN-SECBINFHSA-N 0 1 234.303 2.153 20 0 BEADMN CCC[C@@](C)(CO)NCc1nccn1C(C)C ZINC000657367651 411480681 /nfs/dbraw/zinc/48/06/81/411480681.db2.gz RSPZFOGAORVNFV-ZDUSSCGKSA-N 0 1 239.363 2.105 20 0 BEADMN Cc1c[nH]c(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000657375500 411483665 /nfs/dbraw/zinc/48/36/65/411483665.db2.gz HGTUDVIAJVNBFP-KGLIPLIRSA-N 0 1 241.338 2.439 20 0 BEADMN C[C@@H](C(=O)N1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000655051543 411485304 /nfs/dbraw/zinc/48/53/04/411485304.db2.gz MIPKMXCVHTZFCW-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CN1CCN(C(=O)CCCC2CC2)CC1(C)C ZINC000655052578 411485804 /nfs/dbraw/zinc/48/58/04/411485804.db2.gz UHILUDBZIAQHMX-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1cnc(CN[C@H]2CO[C@H](CC)C2)s1 ZINC000657377906 411486839 /nfs/dbraw/zinc/48/68/39/411486839.db2.gz IRKGXISKMJUZKV-NXEZZACHSA-N 0 1 240.372 2.363 20 0 BEADMN CO[C@H](CNCc1nccn1C(C)C)C(C)C ZINC000657381879 411488504 /nfs/dbraw/zinc/48/85/04/411488504.db2.gz AJUPLKUSAUCHHU-GFCCVEGCSA-N 0 1 239.363 2.225 20 0 BEADMN Cc1ncsc1CN(C)[C@H]1COC(C)(C)C1 ZINC000659912205 411496677 /nfs/dbraw/zinc/49/66/77/411496677.db2.gz LTSKHRBWOBPNLO-SNVBAGLBSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1cc(CNC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000653413675 411496738 /nfs/dbraw/zinc/49/67/38/411496738.db2.gz OECSKHFZOBCOAY-SECBINFHSA-N 0 1 233.315 2.081 20 0 BEADMN CC[C@H]1C[C@H](NCc2ccc(Cl)cn2)CO1 ZINC000657428081 411503519 /nfs/dbraw/zinc/50/35/19/411503519.db2.gz XRZYGFLBIYJQCY-RYUDHWBXSA-N 0 1 240.734 2.392 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2ccc(Cl)cn2)CO1 ZINC000657428082 411503906 /nfs/dbraw/zinc/50/39/06/411503906.db2.gz XRZYGFLBIYJQCY-VXGBXAGGSA-N 0 1 240.734 2.392 20 0 BEADMN CC(C)n1ccnc1CN[C@@]1(C)CCCOC1 ZINC000657425541 411505069 /nfs/dbraw/zinc/50/50/69/411505069.db2.gz KZUXZZQKEIWEDF-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN F[C@@H]1CCCC[C@H]1NCc1cnn2c1CCC2 ZINC000657492664 411534806 /nfs/dbraw/zinc/53/48/06/411534806.db2.gz HRTZGHLGHNKZKM-VXGBXAGGSA-N 0 1 237.322 2.200 20 0 BEADMN Cc1c[nH]c(CNCC2(C(F)(F)F)CC2)n1 ZINC000657464311 411518277 /nfs/dbraw/zinc/51/82/77/411518277.db2.gz WXNQRIOTENBUPX-UHFFFAOYSA-N 0 1 233.237 2.150 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@@H](C)[C@H]2C)[nH]1 ZINC000659984513 411519650 /nfs/dbraw/zinc/51/96/50/411519650.db2.gz MQZHKRSPFLPHCB-BBBLOLIVSA-N 0 1 222.336 2.158 20 0 BEADMN COCc1csc(CN[C@@H](C)CF)c1 ZINC000657467200 411520600 /nfs/dbraw/zinc/52/06/00/411520600.db2.gz YAQNZIGYNDKLGB-QMMMGPOBSA-N 0 1 217.309 2.342 20 0 BEADMN CCN1CCN(C(=O)C[C@H](C)C(C)C)[C@H](C)C1 ZINC000341838922 169984034 /nfs/dbraw/zinc/98/40/34/169984034.db2.gz IRIRCFLHYYPJAH-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@H](CC)C2)o1 ZINC000657473990 411524418 /nfs/dbraw/zinc/52/44/18/411524418.db2.gz WXEQOGVFQZPHQL-WDEREUQCSA-N 0 1 238.331 2.203 20 0 BEADMN CCc1noc(C)c1CN[C@@H]1CO[C@H](CC)C1 ZINC000657475475 411525102 /nfs/dbraw/zinc/52/51/02/411525102.db2.gz USECMDUDZTZBGE-WDEREUQCSA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cc(OC)no2)C1 ZINC000660000427 411525294 /nfs/dbraw/zinc/52/52/94/411525294.db2.gz WWHXBGYDOLXXFS-LBPRGKRZSA-N 0 1 224.304 2.305 20 0 BEADMN CCO[C@@H]1CCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000657487101 411531124 /nfs/dbraw/zinc/53/11/24/411531124.db2.gz PGNRIDGWADVPAG-VXGBXAGGSA-N 0 1 237.347 2.074 20 0 BEADMN COCC1(CNCc2ncc(Cl)s2)CC1 ZINC000655835701 411531906 /nfs/dbraw/zinc/53/19/06/411531906.db2.gz SUGOXWUCYUKLSN-UHFFFAOYSA-N 0 1 246.763 2.313 20 0 BEADMN Cc1ccc(CN(C)CCO[C@H]2CC2(F)F)o1 ZINC000659826566 411465088 /nfs/dbraw/zinc/46/50/88/411465088.db2.gz HQLJJQDBSJCUPH-NSHDSACASA-N 0 1 245.269 2.444 20 0 BEADMN Cc1occc1CNCc1c(C2CC2)cnn1C ZINC000657326664 411465961 /nfs/dbraw/zinc/46/59/61/411465961.db2.gz PQGNLWFGKBAPOQ-UHFFFAOYSA-N 0 1 245.326 2.489 20 0 BEADMN CC1(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])CCC1 ZINC000307122751 411466576 /nfs/dbraw/zinc/46/65/76/411466576.db2.gz WKGXLZUPTLFVBQ-LBPRGKRZSA-N 0 1 211.305 2.116 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccc(F)c(F)c2F)CO1 ZINC000657500493 411538450 /nfs/dbraw/zinc/53/84/50/411538450.db2.gz OPTFXTGQTNZDEW-IONNQARKSA-N 0 1 245.244 2.371 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2(C)CC2)C[C@H]1C ZINC000334491263 170033936 /nfs/dbraw/zinc/03/39/36/170033936.db2.gz WJRQVGNKLVQARF-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000070696052 170035459 /nfs/dbraw/zinc/03/54/59/170035459.db2.gz ZLGMAWIMUGPAIU-AAEUAGOBSA-N 0 1 205.301 2.468 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@H]1CNCc1cscn1 ZINC000657524449 411542397 /nfs/dbraw/zinc/54/23/97/411542397.db2.gz LJSOQGXESQWVDR-NSHDSACASA-N 0 1 239.388 2.106 20 0 BEADMN CCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000298873596 170055098 /nfs/dbraw/zinc/05/50/98/170055098.db2.gz ZGXZPUXTPOIPQN-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CCNC(=O)CN(CC)Cc1cc(C)cc(C)c1 ZINC000061783792 170057604 /nfs/dbraw/zinc/05/76/04/170057604.db2.gz BFHXKPNYAHYQJN-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCNC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000061781083 170059428 /nfs/dbraw/zinc/05/94/28/170059428.db2.gz CTOJLKARJPMSAL-SNVBAGLBSA-N 0 1 238.356 2.021 20 0 BEADMN CCNC(=O)CN[C@H](C)c1cc(C)sc1C ZINC000036780276 170065969 /nfs/dbraw/zinc/06/59/69/170065969.db2.gz AHHGZJIQKLWDQJ-SECBINFHSA-N 0 1 240.372 2.152 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@H](C)c1csc(C)c1 ZINC000294108038 170089174 /nfs/dbraw/zinc/08/91/74/170089174.db2.gz CRNGMFQZZWWBBO-NXEZZACHSA-N 0 1 240.372 2.232 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCS[C@H]1C ZINC000657501019 411538180 /nfs/dbraw/zinc/53/81/80/411538180.db2.gz UOEFEILYLIAAKD-WDEREUQCSA-N 0 1 239.388 2.448 20 0 BEADMN CC[C@H](COCC1CC1)NCc1nc(C)c[nH]1 ZINC000657560842 411551419 /nfs/dbraw/zinc/55/14/19/411551419.db2.gz CLUIDTIOEZDHKW-GFCCVEGCSA-N 0 1 237.347 2.013 20 0 BEADMN CCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000036917014 170142887 /nfs/dbraw/zinc/14/28/87/170142887.db2.gz GNIVLQIHUUPWLV-JTQLQIEISA-N 0 1 230.315 2.246 20 0 BEADMN Cc1nc(CN[C@]23C[C@H]2CCC3)cs1 ZINC000657549437 411546727 /nfs/dbraw/zinc/54/67/27/411546727.db2.gz DJFVQTKHVQFAFF-MWLCHTKSSA-N 0 1 208.330 2.484 20 0 BEADMN Cc1nc(CN2CC[C@@H](C)[C@@H](C)C2)co1 ZINC000660157735 411549085 /nfs/dbraw/zinc/54/90/85/411549085.db2.gz LKLMTZLMENOADW-ZJUUUORDSA-N 0 1 208.305 2.461 20 0 BEADMN COCc1cnc(CN[C@]23C[C@H]2CCC3)s1 ZINC000657554133 411549244 /nfs/dbraw/zinc/54/92/44/411549244.db2.gz XMUQCBPCDWTCOU-BXKDBHETSA-N 0 1 238.356 2.322 20 0 BEADMN CCOC(=O)CCCN(C)Cc1ccoc1 ZINC000338728637 170201213 /nfs/dbraw/zinc/20/12/13/170201213.db2.gz QJNGKARDMKEBRO-UHFFFAOYSA-N 0 1 225.288 2.055 20 0 BEADMN CCOC(=O)[C@@H](C)N(CCC(C)C)C1CC1 ZINC000109547186 170247446 /nfs/dbraw/zinc/24/74/46/170247446.db2.gz LUZSNLNWWIBGKY-LLVKDONJSA-N 0 1 227.348 2.449 20 0 BEADMN OC/C=C/CNCc1ccc(F)cc1Cl ZINC000657593868 411559838 /nfs/dbraw/zinc/55/98/38/411559838.db2.gz XAUKLVDBHJMRBS-OWOJBTEDSA-N 0 1 229.682 2.117 20 0 BEADMN COC[C@@H](NCc1nc(C)oc1C)C(C)C ZINC000660254759 411560887 /nfs/dbraw/zinc/56/08/87/411560887.db2.gz UUUBHMSHMPCNRB-GFCCVEGCSA-N 0 1 226.320 2.052 20 0 BEADMN CCOC(=O)[C@H](C)N(CC(C)C)C1CC1 ZINC000043638856 170267009 /nfs/dbraw/zinc/26/70/09/170267009.db2.gz JXDCRZNFDCKRCP-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CCCOC(C)C ZINC000343890199 170271217 /nfs/dbraw/zinc/27/12/17/170271217.db2.gz SKTFLJXHKHLNBM-LBPRGKRZSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000660271141 411563051 /nfs/dbraw/zinc/56/30/51/411563051.db2.gz GDJAYMYRVLBHTG-GMNPVEAJSA-N 0 1 235.331 2.465 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1cocn1 ZINC000657617571 411564625 /nfs/dbraw/zinc/56/46/25/411564625.db2.gz UYFXBJDFJPIFAZ-IINYFYTJSA-N 0 1 228.295 2.493 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CCC1CCC1 ZINC000660336782 411571427 /nfs/dbraw/zinc/57/14/27/411571427.db2.gz QADCJANHJKOLBC-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCOC(=O)c1coc(CN(C)C(C)C)c1 ZINC000353362469 170304772 /nfs/dbraw/zinc/30/47/72/170304772.db2.gz GKOPVEMILUPNDD-UHFFFAOYSA-N 0 1 225.288 2.297 20 0 BEADMN CCOC(C)(C)CNCc1ncc(C)s1 ZINC000296705478 170313379 /nfs/dbraw/zinc/31/33/79/170313379.db2.gz IJODFLLRULBPOZ-UHFFFAOYSA-N 0 1 228.361 2.356 20 0 BEADMN CCOC1CC(N(C)Cc2conc2CC)C1 ZINC000353524274 170328056 /nfs/dbraw/zinc/32/80/56/170328056.db2.gz DAHBJPKMPXWIBC-UHFFFAOYSA-N 0 1 238.331 2.236 20 0 BEADMN CCOC1CC(Sc2nnc(CC)[nH]2)C1 ZINC000331611007 170331601 /nfs/dbraw/zinc/33/16/01/170331601.db2.gz WNDRCXMGPPTNBZ-UHFFFAOYSA-N 0 1 227.333 2.027 20 0 BEADMN CCOC1CC(Sc2nc(CC)n[nH]2)C1 ZINC000331611007 170331602 /nfs/dbraw/zinc/33/16/02/170331602.db2.gz WNDRCXMGPPTNBZ-UHFFFAOYSA-N 0 1 227.333 2.027 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCC[C@@H](C)O2)s1 ZINC000657670623 411574601 /nfs/dbraw/zinc/57/46/01/411574601.db2.gz VUOBMQJZBOCCGQ-KOLCDFICSA-N 0 1 240.372 2.499 20 0 BEADMN CC1(C)C[C@@H](N2CCc3ncsc3C2)CO1 ZINC000660375823 411575381 /nfs/dbraw/zinc/57/53/81/411575381.db2.gz ZAMYORZBTSRFMO-SECBINFHSA-N 0 1 238.356 2.069 20 0 BEADMN CCOCC(C)(C)NCc1nccn1C(C)C ZINC000339367356 170355566 /nfs/dbraw/zinc/35/55/66/170355566.db2.gz WXSZBMFUNNOXQM-UHFFFAOYSA-N 0 1 239.363 2.369 20 0 BEADMN CO[C@H](CN1CCC(=O)[C@@H](C)C1)C1CCCC1 ZINC000660322595 411568472 /nfs/dbraw/zinc/56/84/72/411568472.db2.gz MDIOWPUUMRGYND-SMDDNHRTSA-N 0 1 239.359 2.103 20 0 BEADMN CCOCCN(C)CCC(=O)c1ccccc1 ZINC000127405774 170388415 /nfs/dbraw/zinc/38/84/15/170388415.db2.gz TZADZNHGVFLHEV-UHFFFAOYSA-N 0 1 235.327 2.228 20 0 BEADMN Cc1cnc(CNCCc2ccoc2)s1 ZINC000657654019 411570398 /nfs/dbraw/zinc/57/03/98/411570398.db2.gz PKJZLUSXLYWQNU-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1cc(C2CC2)no1 ZINC000660414016 411581540 /nfs/dbraw/zinc/58/15/40/411581540.db2.gz NWKVXLZSYIMSMR-ZANVPECISA-N 0 1 236.315 2.209 20 0 BEADMN O[C@H]1C[C@H](NCc2ccc(Cl)o2)C12CCC2 ZINC000657703034 411582959 /nfs/dbraw/zinc/58/29/59/411582959.db2.gz KOOWLHUWPRNRRK-UWVGGRQHSA-N 0 1 241.718 2.326 20 0 BEADMN CCc1nc([C@H](C)N2CCC(C)=C(C)C2)n[nH]1 ZINC000660454643 411587135 /nfs/dbraw/zinc/58/71/35/411587135.db2.gz AEFJWSIESIWBSS-NSHDSACASA-N 0 1 234.347 2.470 20 0 BEADMN CCn1ccnc1CNC[C@H]1C(C)(C)C1(F)F ZINC000657737797 411588194 /nfs/dbraw/zinc/58/81/94/411588194.db2.gz LWSBXPCKWDZKLK-VIFPVBQESA-N 0 1 243.301 2.284 20 0 BEADMN CC1(C)[C@H](CNCc2cocn2)C1(F)F ZINC000657739280 411588595 /nfs/dbraw/zinc/58/85/95/411588595.db2.gz QZZOONDTIWLUGH-QMMMGPOBSA-N 0 1 216.231 2.056 20 0 BEADMN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)nn1C ZINC000657739657 411588720 /nfs/dbraw/zinc/58/87/20/411588720.db2.gz VMGXPRMKHHJXFZ-JTQLQIEISA-N 0 1 243.301 2.109 20 0 BEADMN Cc1cc(CN[C@]2(C)CC2(C)C)nn1C ZINC000657760884 411590596 /nfs/dbraw/zinc/59/05/96/411590596.db2.gz BCKKZHGDGUAPRZ-GFCCVEGCSA-N 0 1 207.321 2.007 20 0 BEADMN C(CC1CCC1)CN1CCOC[C@@]12CCOC2 ZINC000660475536 411590654 /nfs/dbraw/zinc/59/06/54/411590654.db2.gz BAPDBMKFQZWKNK-AWEZNQCLSA-N 0 1 239.359 2.058 20 0 BEADMN CC1(C)C[C@]1(C)NCc1cc2n(n1)CCCC2 ZINC000657762232 411591203 /nfs/dbraw/zinc/59/12/03/411591203.db2.gz YBBBLZPCTVOMOX-AWEZNQCLSA-N 0 1 233.359 2.498 20 0 BEADMN COC[C@H](C)NCc1nsc2ccccc12 ZINC000660483569 411592160 /nfs/dbraw/zinc/59/21/60/411592160.db2.gz HZGPAGJQWRBVHM-VIFPVBQESA-N 0 1 236.340 2.421 20 0 BEADMN Fc1cnccc1CNCC1=CCCC1 ZINC000657750013 411592711 /nfs/dbraw/zinc/59/27/11/411592711.db2.gz XIYJAJPVSSXDJF-UHFFFAOYSA-N 0 1 206.264 2.421 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@@H]2C)c(C)o1 ZINC000660538235 411597056 /nfs/dbraw/zinc/59/70/56/411597056.db2.gz NZCUCRAIBRKULP-WRWORJQWSA-N 0 1 226.345 2.133 20 0 BEADMN C(CN1CCOC[C@H]1[C@H]1CCCO1)C1CCC1 ZINC000660540423 411597291 /nfs/dbraw/zinc/59/72/91/411597291.db2.gz OMWBEKMJQIDYIJ-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN CCC[C@]1(NCc2nc(C)oc2C)CCOC1 ZINC000660541335 411597438 /nfs/dbraw/zinc/59/74/38/411597438.db2.gz WCILZIVRYXHERT-ZDUSSCGKSA-N 0 1 238.331 2.340 20 0 BEADMN CC(C)=CCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000660537980 411597545 /nfs/dbraw/zinc/59/75/45/411597545.db2.gz HNBAFLXCJPFNBV-UONOGXRCSA-N 0 1 239.359 2.223 20 0 BEADMN COc1ccc(F)cc1CN[C@@H]1C[C@]1(C)OC ZINC000657790760 411597572 /nfs/dbraw/zinc/59/75/72/411597572.db2.gz UQNOTQIZIGVXCR-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN O[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000657809067 411601569 /nfs/dbraw/zinc/60/15/69/411601569.db2.gz FMYMFZCNKFBOQI-MGCOHNPYSA-N 0 1 229.682 2.092 20 0 BEADMN CC(C)c1nc(CN2CC[C@@H]2C(F)(F)F)n[nH]1 ZINC000660569095 411601844 /nfs/dbraw/zinc/60/18/44/411601844.db2.gz BKGVYDCXOMNKKJ-SSDOTTSWSA-N 0 1 248.252 2.065 20 0 BEADMN CC/C=C\CCN1CCn2cncc2C1 ZINC000660581774 411602067 /nfs/dbraw/zinc/60/20/67/411602067.db2.gz JICWLVPKUKUEIZ-ARJAWSKDSA-N 0 1 205.305 2.055 20 0 BEADMN Cn1cnc(CN2CCC(C)(C3CC3)CC2)c1 ZINC000660573992 411602203 /nfs/dbraw/zinc/60/22/03/411602203.db2.gz IYVBIRZGMGQUQF-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2C[C@H](O)C2)o1 ZINC000657809861 411602250 /nfs/dbraw/zinc/60/22/50/411602250.db2.gz PSILAZRLLIHIMV-GMOBBJLQSA-N 0 1 221.300 2.016 20 0 BEADMN C[C@@H](O)[C@@H](NCc1ccccn1)c1ccccc1 ZINC000657814147 411604300 /nfs/dbraw/zinc/60/43/00/411604300.db2.gz DBODQRHFNFSNPJ-IUODEOHRSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](O)[C@@H](NCc1ccccn1)c1ccccc1 ZINC000657814148 411604409 /nfs/dbraw/zinc/60/44/09/411604409.db2.gz DBODQRHFNFSNPJ-SWLSCSKDSA-N 0 1 242.322 2.293 20 0 BEADMN CCN(Cc1cc(OC)ns1)C[C@H](C)OC ZINC000660597491 411606158 /nfs/dbraw/zinc/60/61/58/411606158.db2.gz PSUAVMHGZRVHSQ-VIFPVBQESA-N 0 1 244.360 2.009 20 0 BEADMN CC[C@H](CC(F)F)CN1CCOC[C@@H]1C ZINC000660647611 411612910 /nfs/dbraw/zinc/61/29/10/411612910.db2.gz GIGFFUJRBNNZDX-VHSXEESVSA-N 0 1 221.291 2.389 20 0 BEADMN Oc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000657864298 411613160 /nfs/dbraw/zinc/61/31/60/411613160.db2.gz MUUCASZVGOFIAF-CYBMUJFWSA-N 0 1 243.310 2.213 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](NCc2coc(C)n2)C1(C)C ZINC000660702611 411618173 /nfs/dbraw/zinc/61/81/73/411618173.db2.gz ZJJURKJVNDZLPP-GGZOMVNGSA-N 0 1 238.331 2.132 20 0 BEADMN COC[C@@H]1CCCCN1Cc1cc(C)nc(C)n1 ZINC000660754744 411621203 /nfs/dbraw/zinc/62/12/03/411621203.db2.gz KJRVNDVBMSPSPG-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN CC[C@H](C)[N@@H+](CC)Cc1ccnc(OC)n1 ZINC000661103477 411708151 /nfs/dbraw/zinc/70/81/51/411708151.db2.gz FZLJMIQSXBDAJX-JTQLQIEISA-N 0 1 223.320 2.106 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)Cc1ccnc(OC)n1 ZINC000661103478 411708790 /nfs/dbraw/zinc/70/87/90/411708790.db2.gz FZLJMIQSXBDAJX-SNVBAGLBSA-N 0 1 223.320 2.106 20 0 BEADMN C[C@H]1CCC[C@@H](C[N@@H+](C)Cc2n[n-]c(=O)o2)C1 ZINC000660843634 411653222 /nfs/dbraw/zinc/65/32/22/411653222.db2.gz BKKPLWCESVVJKC-VHSXEESVSA-N 0 1 239.319 2.033 20 0 BEADMN C[N@@H+](Cc1n[n-]c(=O)o1)[C@H]1C=CCCCCC1 ZINC000660843058 411654328 /nfs/dbraw/zinc/65/43/28/411654328.db2.gz SZHNSFROINDHIB-JTQLQIEISA-N 0 1 237.303 2.096 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660844601 411656699 /nfs/dbraw/zinc/65/66/99/411656699.db2.gz QNSKJTCRSMFRKA-NXEZZACHSA-N 0 1 239.319 2.033 20 0 BEADMN C[C@@H](NCCOCCF)c1ccncc1Cl ZINC000663460621 411663083 /nfs/dbraw/zinc/66/30/83/411663083.db2.gz BSWSAPDMAJXVOU-SECBINFHSA-N 0 1 246.713 2.372 20 0 BEADMN Cc1nc(CN2CCCCC[C@@H]2CO)c(C)o1 ZINC000660923177 411674629 /nfs/dbraw/zinc/67/46/29/411674629.db2.gz LWMAADOYYKFDMW-GFCCVEGCSA-N 0 1 238.331 2.028 20 0 BEADMN CC[C@@H](NCc1coc(C)n1)[C@@H]1CCCCO1 ZINC000660926833 411676777 /nfs/dbraw/zinc/67/67/77/411676777.db2.gz SYGNXVGLPJYCRR-OLZOCXBDSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660930898 411682025 /nfs/dbraw/zinc/68/20/25/411682025.db2.gz LBAPUQOEIARFOK-SRVKXCTJSA-N 0 1 247.342 2.426 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)on1 ZINC000660931228 411682042 /nfs/dbraw/zinc/68/20/42/411682042.db2.gz ZVBCVSKOERVVAJ-JQWIXIFHSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)nn1C ZINC000660931316 411682389 /nfs/dbraw/zinc/68/23/89/411682389.db2.gz QTEVXTNCZFMKFR-AAEUAGOBSA-N 0 1 219.332 2.103 20 0 BEADMN Cc1nc(CN(C)Cc2cnc[nH]2)sc1C ZINC000661085323 411697822 /nfs/dbraw/zinc/69/78/22/411697822.db2.gz LFKHYGNNRUUBTG-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cn1cnnc1CN1CCCC2(CCCC2)CC1 ZINC000661231684 411737195 /nfs/dbraw/zinc/73/71/95/411737195.db2.gz RNIIXCBFOGMEOY-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN C[C@@H](CO)[C@H]1CCCCN1Cc1nccs1 ZINC000661440512 411778882 /nfs/dbraw/zinc/77/88/82/411778882.db2.gz DJXKTZXTASPINP-WDEREUQCSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1COC2(CCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000661466468 411783653 /nfs/dbraw/zinc/78/36/53/411783653.db2.gz QPCVOPAKZZMBFJ-OLZOCXBDSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H]1CCCN(Cc2nccs2)[C@@H]1CCO ZINC000661497125 411789231 /nfs/dbraw/zinc/78/92/31/411789231.db2.gz HZXNVCLHVQISHC-WDEREUQCSA-N 0 1 240.372 2.126 20 0 BEADMN OC[C@@H](NCc1nc2ccccc2o1)C1CCC1 ZINC000661153942 411721949 /nfs/dbraw/zinc/72/19/49/411721949.db2.gz KHJVRYUXSSMLML-GFCCVEGCSA-N 0 1 246.310 2.078 20 0 BEADMN CC(C)=CCN1CCO[C@@](C)(C2CC2)C1 ZINC000661166084 411727165 /nfs/dbraw/zinc/72/71/65/411727165.db2.gz HBCPHJHXFXDBLV-CYBMUJFWSA-N 0 1 209.333 2.454 20 0 BEADMN C[C@@]1(C2CC2)CN(CCOC2CCC2)CCO1 ZINC000661173523 411727597 /nfs/dbraw/zinc/72/75/97/411727597.db2.gz YYXMTRUCQYYSGZ-AWEZNQCLSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1csnn1 ZINC000661516729 411794891 /nfs/dbraw/zinc/79/48/91/411794891.db2.gz DGFLAOWHBFMASP-TVQRCGJNSA-N 0 1 245.351 2.356 20 0 BEADMN CO[C@@H](CC(C)C)CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661540120 411798851 /nfs/dbraw/zinc/79/88/51/411798851.db2.gz XSZVAVBVQUWGQZ-UPJWGTAASA-N 0 1 241.375 2.204 20 0 BEADMN C[C@H]1CCCC[C@@H]1COCCc1c[nH]nn1 ZINC000664046931 411826749 /nfs/dbraw/zinc/82/67/49/411826749.db2.gz SYSQPGPIEUAJNE-WDEREUQCSA-N 0 1 223.320 2.190 20 0 BEADMN Cc1cnc([C@H](C)N(C)CC2=CCCOC2)cn1 ZINC000661654581 411830085 /nfs/dbraw/zinc/83/00/85/411830085.db2.gz ZVUXPIICANBJLD-LBPRGKRZSA-N 0 1 247.342 2.125 20 0 BEADMN COc1cc(CN2CCC[C@H](CCF)C2)on1 ZINC000661687320 411837300 /nfs/dbraw/zinc/83/73/00/411837300.db2.gz AGIGTHKGTUPDFB-SNVBAGLBSA-N 0 1 242.294 2.255 20 0 BEADMN Cc1nc([C@H](C)N2CCC[C@H](CCF)C2)n[nH]1 ZINC000661690429 411841344 /nfs/dbraw/zinc/84/13/44/411841344.db2.gz QIUURMVNJCAIJW-GXSJLCMTSA-N 0 1 240.326 2.246 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(C)o2)C1 ZINC000661859658 411904851 /nfs/dbraw/zinc/90/48/51/411904851.db2.gz BYNRXDDWASLOLR-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2ncccn2)C1 ZINC000661860101 411906647 /nfs/dbraw/zinc/90/66/47/411906647.db2.gz SDIYOXCKGVKTDC-VXGBXAGGSA-N 0 1 219.332 2.487 20 0 BEADMN c1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)n[nH]1 ZINC000661875573 411912548 /nfs/dbraw/zinc/91/25/48/411912548.db2.gz PADAHMUDPPROQU-GXTWGEPZSA-N 0 1 249.358 2.191 20 0 BEADMN CCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997642 411937593 /nfs/dbraw/zinc/93/75/93/411937593.db2.gz ZJUKDRMSFGCGGI-UHFFFAOYSA-N 0 1 209.333 2.287 20 0 BEADMN CCOc1nnc(CN[C@@H](CC)C2CC2)s1 ZINC000661759006 411870423 /nfs/dbraw/zinc/87/04/23/411870423.db2.gz RRWIRBNTPTWIHM-VIFPVBQESA-N 0 1 241.360 2.215 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000661774832 411883720 /nfs/dbraw/zinc/88/37/20/411883720.db2.gz STZPRMFMABMCBH-CMPLNLGQSA-N 0 1 246.310 2.173 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000661774832 411883732 /nfs/dbraw/zinc/88/37/32/411883732.db2.gz STZPRMFMABMCBH-CMPLNLGQSA-N 0 1 246.310 2.173 20 0 BEADMN Cc1ccnc(NC[C@@H](CO)CC2CC2)c1 ZINC000664461204 411964541 /nfs/dbraw/zinc/96/45/41/411964541.db2.gz KBSLVFUGLMOQHF-LBPRGKRZSA-N 0 1 220.316 2.211 20 0 BEADMN CC(C)CC1(N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000662071333 411972613 /nfs/dbraw/zinc/97/26/13/411972613.db2.gz JNGNKSZVUQBKAN-SNVBAGLBSA-N 0 1 249.362 2.237 20 0 BEADMN c1ccc2oc(CN3CCC4(COC4)C3)nc2c1 ZINC000662076473 411980431 /nfs/dbraw/zinc/98/04/31/411980431.db2.gz JXOHAHAJUNBVIV-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN Oc1ccc2c(c1)CN(CCCCF)CCO2 ZINC000662091633 411986256 /nfs/dbraw/zinc/98/62/56/411986256.db2.gz BECUFQUUWLJEBK-UHFFFAOYSA-N 0 1 239.290 2.336 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccco2)no1 ZINC000054445374 170888789 /nfs/dbraw/zinc/88/87/89/170888789.db2.gz MPEZGKLSWRPIAS-SSDOTTSWSA-N 0 1 207.233 2.000 20 0 BEADMN Cc1nnc(CN(CCC2CC2)CC2CC2)o1 ZINC000662177317 412018888 /nfs/dbraw/zinc/01/88/88/412018888.db2.gz DDFVKXLFYZAZCS-UHFFFAOYSA-N 0 1 235.331 2.390 20 0 BEADMN Nc1ccnc(CN(CCC2CC2)CC2CC2)n1 ZINC000662177377 412018907 /nfs/dbraw/zinc/01/89/07/412018907.db2.gz GJHXMPCTEDRIJU-UHFFFAOYSA-N 0 1 246.358 2.071 20 0 BEADMN Cc1nccc(N2CCC[C@@H]2[C@H](C)O)c1Cl ZINC000664437899 411957294 /nfs/dbraw/zinc/95/72/94/411957294.db2.gz BXSBXLZSGMQEMU-VHSXEESVSA-N 0 1 240.734 2.393 20 0 BEADMN C[C@H](c1nncn1C)N1CCC[C@H](C2CCC2)C1 ZINC000662043903 411960795 /nfs/dbraw/zinc/96/07/95/411960795.db2.gz NYMMQBHDBWXIKS-YPMHNXCESA-N 0 1 248.374 2.388 20 0 BEADMN CC(C)[C@@H](O)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664817300 412025375 /nfs/dbraw/zinc/02/53/75/412025375.db2.gz BYZIGWSGCFJSAL-KBPBESRZSA-N 0 1 248.370 2.481 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000662213203 412026806 /nfs/dbraw/zinc/02/68/06/412026806.db2.gz UFWMKTGHYXWEAX-NEPJUHHUSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H](CO)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821013 412027432 /nfs/dbraw/zinc/02/74/32/412027432.db2.gz BYAXQNONVBQBDJ-DGCLKSJQSA-N 0 1 234.343 2.093 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1C(=O)[O-] ZINC000662213430 412028346 /nfs/dbraw/zinc/02/83/46/412028346.db2.gz XIUAVKALGZBQGP-UJPOAAIJSA-N 0 1 237.343 2.218 20 0 BEADMN CC[N@@H+](CCCc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000662217735 412029010 /nfs/dbraw/zinc/02/90/10/412029010.db2.gz SKHJECMUTNYOGN-LBPRGKRZSA-N 0 1 235.327 2.414 20 0 BEADMN COC[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664832739 412029960 /nfs/dbraw/zinc/02/99/60/412029960.db2.gz HWKHQCMQGCSTFY-YPMHNXCESA-N 0 1 234.343 2.499 20 0 BEADMN CC[N@@H+](CCC1CCCC1)[C@@H](C)C(=O)[O-] ZINC000662216087 412030052 /nfs/dbraw/zinc/03/00/52/412030052.db2.gz NBDHSTYINOQLJD-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@@H+](CCCC1CCC1)[C@@H](C)C(=O)[O-] ZINC000662216271 412030248 /nfs/dbraw/zinc/03/02/48/412030248.db2.gz NUWJKVYUZPIUTJ-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC12CC(C1)C[N@H+]2Cc1ccc(C(=O)[O-])cc1 ZINC000662239094 412033581 /nfs/dbraw/zinc/03/35/81/412033581.db2.gz XPBRUKLYFRFYAD-UHFFFAOYSA-N 0 1 231.295 2.369 20 0 BEADMN Cc1ccc(CN(C)CC2=CCSC2)nc1 ZINC000662268107 412059367 /nfs/dbraw/zinc/05/93/67/412059367.db2.gz PLQBTNVLFYOGQW-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H]1CCN(Cc2occc2C(=O)OC)C1 ZINC000268048038 171014001 /nfs/dbraw/zinc/01/40/01/171014001.db2.gz SZGJWIBDBRSLTJ-SNVBAGLBSA-N 0 1 237.299 2.298 20 0 BEADMN CC[C@@H]1CCN1Cc1ccc(OC)c(O)c1 ZINC000292861385 171023887 /nfs/dbraw/zinc/02/38/87/171023887.db2.gz VJWLKHYISMDEIT-LLVKDONJSA-N 0 1 221.300 2.385 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1C(=O)CN(CC)C1CC1 ZINC000357761432 171034756 /nfs/dbraw/zinc/03/47/56/171034756.db2.gz LRQVCWYPYUBNRF-VXGBXAGGSA-N 0 1 238.375 2.260 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(C)no1 ZINC000336656927 171044326 /nfs/dbraw/zinc/04/43/26/171044326.db2.gz AOXQQROKQPHLOZ-SFGNSQDASA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@@H]1NCC(F)(F)CO ZINC000336745226 171050327 /nfs/dbraw/zinc/05/03/27/171050327.db2.gz VLAHINTXYOTNFZ-AXFHLTTASA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C)[nH]n1 ZINC000271388229 171052056 /nfs/dbraw/zinc/05/20/56/171052056.db2.gz GWEHZCHSSOOXQN-VHSXEESVSA-N 0 1 221.304 2.121 20 0 BEADMN CC[C@@H]1CN(CCCCCF)CCO1 ZINC000341833735 171078786 /nfs/dbraw/zinc/07/87/86/171078786.db2.gz PXMADVNNUUYPBY-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000264700131 171082776 /nfs/dbraw/zinc/08/27/76/171082776.db2.gz HYWZDUNHRXDPAM-BPLDGKMQSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CN(CCc2cccnc2)C[C@H](C)O1 ZINC000172165182 171083584 /nfs/dbraw/zinc/08/35/84/171083584.db2.gz ZCDQUKCKCOGEDO-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1O ZINC000271279288 171089849 /nfs/dbraw/zinc/08/98/49/171089849.db2.gz LPCIXWDZWBZHQJ-ZWNOBZJWSA-N 0 1 241.281 2.168 20 0 BEADMN CC[C@@H]1CN(c2ccnc(C)c2Cl)C[C@H]1O ZINC000336433917 171097639 /nfs/dbraw/zinc/09/76/39/171097639.db2.gz ZMNPWLBAQAOYHA-MWLCHTKSSA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCc1ccccn1 ZINC000298268567 171110662 /nfs/dbraw/zinc/11/06/62/171110662.db2.gz FKWKZGYJHHBYME-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@](C)(NCc1cnc[nH]1)c1nccs1 ZINC000164307059 171175768 /nfs/dbraw/zinc/17/57/68/171175768.db2.gz PMGOXXLOACFMGV-LLVKDONJSA-N 0 1 236.344 2.281 20 0 BEADMN CC[C@@](C)(NC[C@H](C)OC)c1nccs1 ZINC000182341422 171175991 /nfs/dbraw/zinc/17/59/91/171175991.db2.gz IUGGBQCNQGKKFQ-GXSJLCMTSA-N 0 1 228.361 2.393 20 0 BEADMN CC[C@@]1(C)CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC000336546374 171198732 /nfs/dbraw/zinc/19/87/32/171198732.db2.gz ZDKMWESASJKFMG-LBPRGKRZSA-N 0 1 222.336 2.125 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)c2ccc(CN)o2)C1 ZINC000336569759 171200669 /nfs/dbraw/zinc/20/06/69/171200669.db2.gz OIRRNOSNLSEUJU-ZDUSSCGKSA-N 0 1 236.315 2.001 20 0 BEADMN CC[C@@]1(C)CN(CCOCC(C)C)CCO1 ZINC000337470418 171202491 /nfs/dbraw/zinc/20/24/91/171202491.db2.gz PFDIMGWNFGKQKA-ZDUSSCGKSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@H](C(=O)N(C)c1ccc(F)cc1)N(C)C ZINC000359251650 171222092 /nfs/dbraw/zinc/22/20/92/171222092.db2.gz OFMDDHDHXLOANR-GFCCVEGCSA-N 0 1 238.306 2.129 20 0 BEADMN CC[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)C ZINC000298206888 171225368 /nfs/dbraw/zinc/22/53/68/171225368.db2.gz IQFFJJVETBRNBB-WCQYABFASA-N 0 1 246.354 2.304 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(Cl)nc1)N(C)C ZINC000268752329 171233941 /nfs/dbraw/zinc/23/39/41/171233941.db2.gz VRNZYECWWADIRP-SECBINFHSA-N 0 1 241.722 2.014 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC000268741482 171234538 /nfs/dbraw/zinc/23/45/38/171234538.db2.gz PZSKIFLEUPRIBK-CYBMUJFWSA-N 0 1 249.358 2.031 20 0 BEADMN CC[C@H](C(=O)OC(C)C)N(CC)CC ZINC000354897621 171239839 /nfs/dbraw/zinc/23/98/39/171239839.db2.gz LGXGTOHETAKUSP-SNVBAGLBSA-N 0 1 201.310 2.058 20 0 BEADMN CC[C@H](C)CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000188976280 171263175 /nfs/dbraw/zinc/26/31/75/171263175.db2.gz KQPUZUFCGFPKOH-QMMMGPOBSA-N 0 1 232.287 2.333 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)CC1(C)C ZINC000354487183 171265049 /nfs/dbraw/zinc/26/50/49/171265049.db2.gz DZTCFPJOWXUNJZ-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000354313444 171265487 /nfs/dbraw/zinc/26/54/87/171265487.db2.gz YOHZQMVNXUBKPK-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000354380877 171265555 /nfs/dbraw/zinc/26/55/55/171265555.db2.gz IVNBIHOZWMUJGR-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000228085904 171271121 /nfs/dbraw/zinc/27/11/21/171271121.db2.gz AGKURVYBMAQLFZ-SMDDNHRTSA-N 0 1 248.370 2.499 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)Nc1nccs1 ZINC000171948583 171273016 /nfs/dbraw/zinc/27/30/16/171273016.db2.gz ONSJIVSVAUKLEO-VIFPVBQESA-N 0 1 241.360 2.060 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1coc(CN)c1 ZINC000187980351 171278037 /nfs/dbraw/zinc/27/80/37/171278037.db2.gz WEWIPRUQKPFHDI-JTQLQIEISA-N 0 1 238.331 2.247 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000290864345 171295361 /nfs/dbraw/zinc/29/53/61/171295361.db2.gz YZBHCNLEINITHS-JGVFFNPUSA-N 0 1 249.318 2.295 20 0 BEADMN CC[C@H](C)N(CCCSC)CC(=O)OC ZINC000337234078 171313990 /nfs/dbraw/zinc/31/39/90/171313990.db2.gz KRIUSQGIVRYJAQ-JTQLQIEISA-N 0 1 233.377 2.013 20 0 BEADMN CC[C@H](C)N(CCO)Cc1nc(C)cs1 ZINC000336701406 171315165 /nfs/dbraw/zinc/31/51/65/171315165.db2.gz PTFPRVMMZVBTIU-JTQLQIEISA-N 0 1 228.361 2.044 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1c(O)cccc1F ZINC000275140530 171316433 /nfs/dbraw/zinc/31/64/33/171316433.db2.gz PVNTXFFYODHXKE-QMMMGPOBSA-N 0 1 241.262 2.333 20 0 BEADMN CC[C@H](C)[C@@H](C)NCc1nc(C2CC2)no1 ZINC000183040069 171365537 /nfs/dbraw/zinc/36/55/37/171365537.db2.gz IXKCYADZOWFWRG-DTWKUNHWSA-N 0 1 223.320 2.471 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000265576480 171380924 /nfs/dbraw/zinc/38/09/24/171380924.db2.gz BXUVNHUAZMPUTM-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN COc1cc(CN2CC3CC2(C)C3)sn1 ZINC000662385696 412137952 /nfs/dbraw/zinc/13/79/52/412137952.db2.gz BDJVJZVHJZIQKF-UHFFFAOYSA-N 0 1 224.329 2.136 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284010062 171387936 /nfs/dbraw/zinc/38/79/36/171387936.db2.gz QSGOXOHHOKESCX-QWRGUYRKSA-N 0 1 245.326 2.499 20 0 BEADMN CCc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000662325170 412102324 /nfs/dbraw/zinc/10/23/24/412102324.db2.gz JJIHESRLQYMQFY-ZIAGYGMSSA-N 0 1 236.334 2.120 20 0 BEADMN Cc1nc(CN(C)C[C@@H]2CC2(C)C)co1 ZINC000662343909 412112072 /nfs/dbraw/zinc/11/20/72/412112072.db2.gz NTSHBPNLIFRWEZ-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662346126 412116618 /nfs/dbraw/zinc/11/66/18/412116618.db2.gz RSXLWMZDGKOENT-SNVBAGLBSA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662346126 412116621 /nfs/dbraw/zinc/11/66/21/412116621.db2.gz RSXLWMZDGKOENT-SNVBAGLBSA-N 0 1 249.358 2.223 20 0 BEADMN CCc1cc(=O)[nH]c(CN(C)C[C@H]2CC2(C)C)n1 ZINC000662346126 412116623 /nfs/dbraw/zinc/11/66/23/412116623.db2.gz RSXLWMZDGKOENT-SNVBAGLBSA-N 0 1 249.358 2.223 20 0 BEADMN C[C@H]1CN(CC2CC2)C[C@@](C)(C(F)F)O1 ZINC000662366467 412125280 /nfs/dbraw/zinc/12/52/80/412125280.db2.gz OZVSQTGCEYJZCG-KWQFWETISA-N 0 1 219.275 2.141 20 0 BEADMN CCCN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662365354 412125528 /nfs/dbraw/zinc/12/55/28/412125528.db2.gz RZELTIBSJXBLCS-WPRPVWTQSA-N 0 1 207.264 2.141 20 0 BEADMN CC(C)CCN1CCO[C@](C)(C(F)F)C1 ZINC000662370663 412127879 /nfs/dbraw/zinc/12/78/79/412127879.db2.gz GLCICDLQEXQOGR-NSHDSACASA-N 0 1 221.291 2.389 20 0 BEADMN CC[C@H](C)N1CCO[C@](C)(C(F)F)C1 ZINC000662369611 412128356 /nfs/dbraw/zinc/12/83/56/412128356.db2.gz UXVQAOIPFCGKDX-WPRPVWTQSA-N 0 1 207.264 2.141 20 0 BEADMN CC[C@@H](C)CN1CCO[C@@](C)(C(F)F)C1 ZINC000662372138 412129250 /nfs/dbraw/zinc/12/92/50/412129250.db2.gz PDVUHTMUKFUAIQ-MWLCHTKSSA-N 0 1 221.291 2.389 20 0 BEADMN Cc1cccc(NC(=O)CN2CC3CC2(C)C3)c1 ZINC000662382091 412133165 /nfs/dbraw/zinc/13/31/65/412133165.db2.gz MBTNYJGHVHSBDK-UHFFFAOYSA-N 0 1 244.338 2.418 20 0 BEADMN CN(C(=O)CN1CC2CC1(C)C2)c1ccccc1 ZINC000662381303 412133507 /nfs/dbraw/zinc/13/35/07/412133507.db2.gz PFSAHKHUNPRPPR-UHFFFAOYSA-N 0 1 244.338 2.134 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCNC[C@H]1C ZINC000662404725 412151919 /nfs/dbraw/zinc/15/19/19/412151919.db2.gz UVMIOTUSFRYZLZ-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](N[C@@H](C)C(N)=O)c1ccc(Cl)s1 ZINC000268724380 171535951 /nfs/dbraw/zinc/53/59/51/171535951.db2.gz JUWGKJQTFRXFTA-BQBZGAKWSA-N 0 1 246.763 2.316 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000662419247 412159952 /nfs/dbraw/zinc/15/99/52/412159952.db2.gz XCIAAECTSCYUJO-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1C[C@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351121 412281387 /nfs/dbraw/zinc/28/13/87/412281387.db2.gz QUDMAAFBOOVQGX-UWVGGRQHSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351120 412281494 /nfs/dbraw/zinc/28/14/94/412281494.db2.gz QUDMAAFBOOVQGX-NXEZZACHSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cc[nH+]c(N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000662892711 412337242 /nfs/dbraw/zinc/33/72/42/412337242.db2.gz HJKRBZCQJRYIEQ-GHMZBOCLSA-N 0 1 234.299 2.080 20 0 BEADMN Cc1cccc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)[nH+]1 ZINC000662892742 412337855 /nfs/dbraw/zinc/33/78/55/412337855.db2.gz HPGACQBGDXZTRX-MNOVXSKESA-N 0 1 234.299 2.080 20 0 BEADMN O=C([O-])C1(CNc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000662900160 412339841 /nfs/dbraw/zinc/33/98/41/412339841.db2.gz JJQDFEWJNYUODH-UHFFFAOYSA-N 0 1 245.282 2.230 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC2=CCCC2)cc1 ZINC000662916922 412344495 /nfs/dbraw/zinc/34/44/95/412344495.db2.gz YNSQKMKRASJMMI-CQSZACIVSA-N 0 1 244.338 2.221 20 0 BEADMN C[C@H](CNC(=O)C1(N(C)C)CC1)c1ccccc1 ZINC000665381673 412299740 /nfs/dbraw/zinc/29/97/40/412299740.db2.gz OSLVVQCDOZIDAX-GFCCVEGCSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1nc([C@@H]2CN3CCC[C@H]3CO2)sc1C ZINC000663220039 412391875 /nfs/dbraw/zinc/39/18/75/412391875.db2.gz WHFUAJSWUQPDLW-QWRGUYRKSA-N 0 1 238.356 2.296 20 0 BEADMN CCc1ccc(CC[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000084078775 171792438 /nfs/dbraw/zinc/79/24/38/171792438.db2.gz KKFAPOZUESITCR-AWEZNQCLSA-N 0 1 247.338 2.198 20 0 BEADMN C1[C@@H]2C[C@H](c3nc([C@@H]4CCCN4)no3)C[C@H]12 ZINC000663251302 412401581 /nfs/dbraw/zinc/40/15/81/412401581.db2.gz LBLXQAQYULCOCA-JLIMGVALSA-N 0 1 219.288 2.008 20 0 BEADMN CC[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccncc1 ZINC000663289832 412410952 /nfs/dbraw/zinc/41/09/52/412410952.db2.gz XFVRIBVNNKQZAP-ZIAGYGMSSA-N 0 1 246.354 2.380 20 0 BEADMN CCc1cccc(F)c1CN[C@H]1C=C[C@H](CO)C1 ZINC000354564276 171858765 /nfs/dbraw/zinc/85/87/65/171858765.db2.gz FVUFFEHTISVESB-AAEUAGOBSA-N 0 1 249.329 2.415 20 0 BEADMN CCc1nnc(SCCCc2ccncc2)[nH]1 ZINC000357742534 172000501 /nfs/dbraw/zinc/00/05/01/172000501.db2.gz LHWPZQIIUKQKCN-UHFFFAOYSA-N 0 1 248.355 2.487 20 0 BEADMN CCc1n[nH]c(SCCCc2ccncc2)n1 ZINC000357742534 172000504 /nfs/dbraw/zinc/00/05/04/172000504.db2.gz LHWPZQIIUKQKCN-UHFFFAOYSA-N 0 1 248.355 2.487 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccco2)n[nH]1 ZINC000271502193 172002375 /nfs/dbraw/zinc/00/23/75/172002375.db2.gz MEPNXTWBPMTDQM-DTWKUNHWSA-N 0 1 234.303 2.372 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)c2ccccn2)n[nH]1 ZINC000271569086 172002611 /nfs/dbraw/zinc/00/26/11/172002611.db2.gz VKJMHXXUZNENTF-VHSXEESVSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2cccnc2)n[nH]1 ZINC000271492990 172003183 /nfs/dbraw/zinc/00/31/83/172003183.db2.gz LFBGOTWKUZQWRV-NXEZZACHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nnc([C@H](C)NC2CC(CC)C2)[nH]1 ZINC000336721813 172005838 /nfs/dbraw/zinc/00/58/38/172005838.db2.gz DOJFVIVSILTQNP-IDKOKCKLSA-N 0 1 222.336 2.206 20 0 BEADMN CCc1nnc([C@H](C)NC2CC3(CCC3)C2)[nH]1 ZINC000333815693 172005948 /nfs/dbraw/zinc/00/59/48/172005948.db2.gz HWJPUBDWTRIQOM-VIFPVBQESA-N 0 1 234.347 2.350 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2cc(C)on2)n[nH]1 ZINC000284905035 172005986 /nfs/dbraw/zinc/00/59/86/172005986.db2.gz CIYZBCQDHLKNBN-IUCAKERBSA-N 0 1 249.318 2.075 20 0 BEADMN CCc1nc([C@H](C)NC[C@@H](O)C(C)C)cs1 ZINC000284219299 172006146 /nfs/dbraw/zinc/00/61/46/172006146.db2.gz ZSRPVHDUODPAKM-GXSJLCMTSA-N 0 1 242.388 2.373 20 0 BEADMN CCc1ncc(CN2CCCO[C@@H](C)C2)s1 ZINC000271147425 172016579 /nfs/dbraw/zinc/01/65/79/172016579.db2.gz IKHIKENXBKESFV-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN CCc1ncc(CNCc2cccnc2)s1 ZINC000037923908 172018851 /nfs/dbraw/zinc/01/88/51/172018851.db2.gz RVYTXVHTBRTOIL-UHFFFAOYSA-N 0 1 233.340 2.390 20 0 BEADMN CCc1[nH+]ccn1Cc1ccc(C(=O)[O-])s1 ZINC000016943929 172027402 /nfs/dbraw/zinc/02/74/02/172027402.db2.gz HOHCJBWHUHINEB-UHFFFAOYSA-N 0 1 236.296 2.254 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)o1 ZINC000336726073 172050079 /nfs/dbraw/zinc/05/00/79/172050079.db2.gz VPLOHTMVSQLHIF-MXWKQRLJSA-N 0 1 237.347 2.498 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@@H](C)[C@H]2C)s1 ZINC000336755780 172053020 /nfs/dbraw/zinc/05/30/20/172053020.db2.gz IHRKENTULNJBBZ-IWSPIJDZSA-N 0 1 225.361 2.235 20 0 BEADMN CCc1nnc(CN[C@H]2CCC2(C)C)s1 ZINC000309028974 172054418 /nfs/dbraw/zinc/05/44/18/172054418.db2.gz CLCHMEPTOOTMBH-QMMMGPOBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(SCCC(F)(F)F)[nH]1 ZINC000298209019 172062561 /nfs/dbraw/zinc/06/25/61/172062561.db2.gz NJAVHZQEDSRGII-UHFFFAOYSA-N 0 1 225.239 2.412 20 0 BEADMN CCc1n[nH]c(SCCC(F)(F)F)n1 ZINC000298209019 172062564 /nfs/dbraw/zinc/06/25/64/172062564.db2.gz NJAVHZQEDSRGII-UHFFFAOYSA-N 0 1 225.239 2.412 20 0 BEADMN CCc1nnc([C@H](C)N(C)CC(C)C)o1 ZINC000340686081 172065860 /nfs/dbraw/zinc/06/58/60/172065860.db2.gz PKTJGRRPSAZCSM-VIFPVBQESA-N 0 1 211.309 2.281 20 0 BEADMN CCc1nnc([C@H](C)NC(CC)CC)o1 ZINC000111194119 172066155 /nfs/dbraw/zinc/06/61/55/172066155.db2.gz UIDNYLXWJMPTEG-QMMMGPOBSA-N 0 1 211.309 2.471 20 0 BEADMN CCc1noc(C)c1CN1C[C@H](C)[C@H]1C ZINC000293478878 172077087 /nfs/dbraw/zinc/07/70/87/172077087.db2.gz RQWHIVNMYPWVSO-DTWKUNHWSA-N 0 1 208.305 2.386 20 0 BEADMN CCc1nocc1CN(C)[C@H]1CC1(C)C ZINC000353237403 172094751 /nfs/dbraw/zinc/09/47/51/172094751.db2.gz VRWRTXXOAIMLRA-NSHDSACASA-N 0 1 208.305 2.467 20 0 BEADMN CCc1nocc1CN[C@@H]1CSC1(C)C ZINC000339397678 172101423 /nfs/dbraw/zinc/10/14/23/172101423.db2.gz SJFHNDQYVDHRFT-SNVBAGLBSA-N 0 1 226.345 2.221 20 0 BEADMN CCc1onc(C)c1NC(=O)c1cc(C)no1 ZINC000330497320 172126663 /nfs/dbraw/zinc/12/66/63/172126663.db2.gz XSLUPELDKBHLDK-UHFFFAOYSA-N 0 1 235.243 2.094 20 0 BEADMN CCn1cc(CN2CCS[C@@H](C)[C@@H]2C)cn1 ZINC000093499928 172164127 /nfs/dbraw/zinc/16/41/27/172164127.db2.gz YUDJVQZSFKAEED-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cncc(F)c2)cn1 ZINC000353079582 172174160 /nfs/dbraw/zinc/17/41/60/172174160.db2.gz ABBFQSADJFJIJL-JTQLQIEISA-N 0 1 248.305 2.288 20 0 BEADMN CCn1cc(NC(=O)c2cn[nH]c2C(C)C)cn1 ZINC000193410585 172183459 /nfs/dbraw/zinc/18/34/59/172183459.db2.gz SNZUUEBYKBJNAI-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN CCn1cc([C@@H](C)NCc2cnccc2C)cn1 ZINC000162672762 172194328 /nfs/dbraw/zinc/19/43/28/172194328.db2.gz NKGKTGFKUFDTSQ-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc([C@H](C)N[C@@H]2CCC[C@H]2F)cn1 ZINC000340529232 172196973 /nfs/dbraw/zinc/19/69/73/172196973.db2.gz IULOCICEETWBMQ-MVWJERBFSA-N 0 1 225.311 2.444 20 0 BEADMN CCn1cc([C@H](C)NCc2cncc(C)c2)cn1 ZINC000181845707 172197032 /nfs/dbraw/zinc/19/70/32/172197032.db2.gz BUEMXLLZJPCPSU-LBPRGKRZSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cccc1CN(C)C[C@@H]1CCCO1 ZINC000336708493 172204216 /nfs/dbraw/zinc/20/42/16/172204216.db2.gz UQSHFBABDYOQPZ-ZDUSSCGKSA-N 0 1 222.332 2.119 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1CCSC1 ZINC000295158072 172228632 /nfs/dbraw/zinc/22/86/32/172228632.db2.gz DMJIQRVCCPQJEQ-ZJUUUORDSA-N 0 1 225.361 2.059 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CC1(C)C ZINC000297129260 172230010 /nfs/dbraw/zinc/23/00/10/172230010.db2.gz YXMHEXZCTQXWMA-UWVGGRQHSA-N 0 1 207.321 2.352 20 0 BEADMN CCn1cnnc1CN[C@@H]1CCC12CCCC2 ZINC000353278663 172237013 /nfs/dbraw/zinc/23/70/13/172237013.db2.gz ZUSGSSCETPMYKP-LLVKDONJSA-N 0 1 234.347 2.110 20 0 BEADMN CCn1nccc1CN1CCSC(C)(C)C1 ZINC000128085028 172266157 /nfs/dbraw/zinc/26/61/57/172266157.db2.gz ULOACIWRQBSDFD-UHFFFAOYSA-N 0 1 239.388 2.230 20 0 BEADMN CCn1nccc1CN[C@@H](C)c1cccnc1 ZINC000125119108 172273390 /nfs/dbraw/zinc/27/33/90/172273390.db2.gz NQNZMFMJFUDEBV-NSHDSACASA-N 0 1 230.315 2.149 20 0 BEADMN CN(C(=O)[C@H](N)c1ccccc1)C1CCCC1 ZINC000037092820 172331371 /nfs/dbraw/zinc/33/13/71/172331371.db2.gz UEBULNFDXWNZMH-CYBMUJFWSA-N 0 1 232.327 2.087 20 0 BEADMN CN(C(=O)c1cccc2[nH]cnc21)C1CCC1 ZINC000285802176 172342554 /nfs/dbraw/zinc/34/25/54/172342554.db2.gz VHHVMDBUHRWPBU-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN CN(C(=O)c1cnc[nH]1)[C@H]1CCc2ccccc21 ZINC000299567287 172346324 /nfs/dbraw/zinc/34/63/24/172346324.db2.gz AXCKCPYDMMTTGI-ZDUSSCGKSA-N 0 1 241.294 2.169 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC1(C)C ZINC000360853934 173025037 /nfs/dbraw/zinc/02/50/37/173025037.db2.gz SNSWSBYYNQGWOW-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000188955286 173087167 /nfs/dbraw/zinc/08/71/67/173087167.db2.gz BTYXHGYIYFNRGW-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CN1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000156364218 173087652 /nfs/dbraw/zinc/08/76/52/173087652.db2.gz GORLTWUCIPEMDJ-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CN1Cc2ccc(NCC3(C)COC3)cc2C1 ZINC000286678476 173202859 /nfs/dbraw/zinc/20/28/59/173202859.db2.gz VLQBDZDZSSBOTM-UHFFFAOYSA-N 0 1 232.327 2.080 20 0 BEADMN CNC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000058181874 173295730 /nfs/dbraw/zinc/29/57/30/173295730.db2.gz YDUNECVVVTZWCS-RKDXNWHRSA-N 0 1 240.734 2.125 20 0 BEADMN CNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000058181883 173303351 /nfs/dbraw/zinc/30/33/51/173303351.db2.gz AHWBIEZSYRQPOH-BDAKNGLRSA-N 0 1 240.734 2.125 20 0 BEADMN CNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000042561355 173303382 /nfs/dbraw/zinc/30/33/82/173303382.db2.gz CNAZADWBSUOVHR-RQJHMYQMSA-N 0 1 246.763 2.187 20 0 BEADMN CCN(CCC1CC1)C(=O)[C@H]1CCCCN1C ZINC000680642419 487627926 /nfs/dbraw/zinc/62/79/26/487627926.db2.gz GKFIAZYFKAWGHT-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN COCC(C)(C)CCCNCc1csnn1 ZINC000336769987 174068128 /nfs/dbraw/zinc/06/81/28/174068128.db2.gz SOBRGUQQKVBUQJ-UHFFFAOYSA-N 0 1 243.376 2.081 20 0 BEADMN COCC(C)(C)N(C)Cc1cncc(F)c1 ZINC000292187588 174079878 /nfs/dbraw/zinc/07/98/78/174079878.db2.gz RAPJMIPAWDEVKG-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN COCC1=CCN(Cc2cccc(C)n2)CC1 ZINC000360786896 174115926 /nfs/dbraw/zinc/11/59/26/174115926.db2.gz LXTKLCCSWNPRFO-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN COCC1=CCN(Cc2cccc(O)c2)CC1 ZINC000187621956 174116006 /nfs/dbraw/zinc/11/60/06/174116006.db2.gz JCIOWPGIZQUVPJ-UHFFFAOYSA-N 0 1 233.311 2.171 20 0 BEADMN COCC1=CCN(Cc2ccccc2OC)CC1 ZINC000187622167 174117924 /nfs/dbraw/zinc/11/79/24/174117924.db2.gz YPYMDJKGHGQQKI-UHFFFAOYSA-N 0 1 247.338 2.474 20 0 BEADMN COCCCCCN[C@H](C)c1ccon1 ZINC000309039947 174183968 /nfs/dbraw/zinc/18/39/68/174183968.db2.gz KOWMHAWVYOEAGG-SNVBAGLBSA-N 0 1 212.293 2.142 20 0 BEADMN COCCCN(C)Cc1cn2cc(C)ccc2n1 ZINC000120264311 174218888 /nfs/dbraw/zinc/21/88/88/174218888.db2.gz JSQAUUSCOAXOBC-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN COCCCN1CCO[C@@H](c2ccccc2C)C1 ZINC000126128233 174231033 /nfs/dbraw/zinc/23/10/33/174231033.db2.gz SMNXMYQZAFFSQE-OAHLLOKOSA-N 0 1 249.354 2.405 20 0 BEADMN COCCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000066851933 174234182 /nfs/dbraw/zinc/23/41/82/174234182.db2.gz YRMWRQKTRLTKMR-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN COCCCOCCN(C)Cc1ccoc1C ZINC000336696276 174255347 /nfs/dbraw/zinc/25/53/47/174255347.db2.gz QUIGSOCKPNUOJN-UHFFFAOYSA-N 0 1 241.331 2.073 20 0 BEADMN COCCN(C)Cc1cccc(C)c1F ZINC000294560383 174281509 /nfs/dbraw/zinc/28/15/09/174281509.db2.gz MNGANUHHQCDMGG-UHFFFAOYSA-N 0 1 211.280 2.212 20 0 BEADMN COCCN[C@H]1CCc2c1c(F)ccc2F ZINC000125922374 174340497 /nfs/dbraw/zinc/34/04/97/174340497.db2.gz MBOIERJTUAJFSB-NSHDSACASA-N 0 1 227.254 2.188 20 0 BEADMN COCC[C@@H]1CCCCN(Cc2ncc[nH]2)C1 ZINC000368657803 174394673 /nfs/dbraw/zinc/39/46/73/174394673.db2.gz FFZOECQBBJCJIM-LBPRGKRZSA-N 0 1 237.347 2.048 20 0 BEADMN CO[C@H](CNc1ccnc(C)c1Cl)C1CC1 ZINC000338777525 174861355 /nfs/dbraw/zinc/86/13/55/174861355.db2.gz NKSIVLMSIVXVPJ-LLVKDONJSA-N 0 1 240.734 2.302 20 0 BEADMN COc1cc(CN[C@H](C)CF)cc(OC)c1 ZINC000288406768 174986022 /nfs/dbraw/zinc/98/60/22/174986022.db2.gz INMCDBRLNXEGEF-SECBINFHSA-N 0 1 227.279 2.151 20 0 BEADMN COc1cc(CN[C@H](C)c2cccnc2)ccn1 ZINC000062057831 174986285 /nfs/dbraw/zinc/98/62/85/174986285.db2.gz MTKBHWZDPVPCEU-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)ccn1 ZINC000340542356 175013751 /nfs/dbraw/zinc/01/37/51/175013751.db2.gz MFXPJWYWFVJZAF-NXEZZACHSA-N 0 1 246.314 2.225 20 0 BEADMN COc1ccc(CN2CC=C(C)CC2)cn1 ZINC000270122614 175098213 /nfs/dbraw/zinc/09/82/13/175098213.db2.gz FXEKGYZVMJOTPH-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1ccc(CNC2CC(F)(F)C2)cc1O ZINC000277787970 175106027 /nfs/dbraw/zinc/10/60/27/175106027.db2.gz ZTGFCSNEMZBBKX-UHFFFAOYSA-N 0 1 243.253 2.288 20 0 BEADMN COc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000044494496 175111089 /nfs/dbraw/zinc/11/10/89/175111089.db2.gz BFMSHCSPFIGFGW-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc(CN[C@H]2CCC[C@@H]2F)cc1O ZINC000339586330 175112012 /nfs/dbraw/zinc/11/20/12/175112012.db2.gz IKXQZFGBTUQKHR-QWRGUYRKSA-N 0 1 239.290 2.381 20 0 BEADMN COc1ccc(Cl)cc1CN(C)[C@H](C)CO ZINC000124880798 175120554 /nfs/dbraw/zinc/12/05/54/175120554.db2.gz LOQJLPGGDYZSKO-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(Cl)cc1CN(C)[C@@H](C)CO ZINC000124880603 175120858 /nfs/dbraw/zinc/12/08/58/175120858.db2.gz LOQJLPGGDYZSKO-VIFPVBQESA-N 0 1 243.734 2.161 20 0 BEADMN COc1ccc(NC(=O)CN2CCC[C@H]2C)cc1 ZINC000154454988 175142452 /nfs/dbraw/zinc/14/24/52/175142452.db2.gz BZNOGCNLHTUHNC-LLVKDONJSA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccc(NC(=O)c2cn[nH]c2C)c(C)c1 ZINC000070938163 175148228 /nfs/dbraw/zinc/14/82/28/175148228.db2.gz ZJWLKCMSLNRUEF-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)c(C)n1 ZINC000289574911 175153087 /nfs/dbraw/zinc/15/30/87/175153087.db2.gz SDONCLUFTFWXDN-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN COc1ccc([C@H](C)NCc2cnn(C)c2)cc1 ZINC000041158842 175189233 /nfs/dbraw/zinc/18/92/33/175189233.db2.gz ZCFJDXKMIRGWGK-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc([C@H](C)NCc2ccnn2C)cc1 ZINC000071138727 175189901 /nfs/dbraw/zinc/18/99/01/175189901.db2.gz RQIIKLPEWUJUGC-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN COc1cccc(CN2CCCC3(CC3)C2)n1 ZINC000186971346 175257394 /nfs/dbraw/zinc/25/73/94/175257394.db2.gz NISJAZZJNHIJHK-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1cccc(CN2CCC(CF)CC2)n1 ZINC000294912449 175257784 /nfs/dbraw/zinc/25/77/84/175257784.db2.gz AHKHMIOUCXCTFQ-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cccc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000229881650 175267787 /nfs/dbraw/zinc/26/77/87/175267787.db2.gz MCNRLOCIQKOBMF-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1cccc(Cl)c1CN[C@H](C)CCO ZINC000126708515 175273320 /nfs/dbraw/zinc/27/33/20/175273320.db2.gz LBLZABBAABGYIX-SECBINFHSA-N 0 1 243.734 2.209 20 0 BEADMN COc1cccc(NC(=O)CN2CCC[C@H]2C)c1 ZINC000154446203 175276515 /nfs/dbraw/zinc/27/65/15/175276515.db2.gz PJPUVJGLPVKRKI-LLVKDONJSA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccccc1CCCN1CCOC[C@@H]1C ZINC000295789032 175322723 /nfs/dbraw/zinc/32/27/23/175322723.db2.gz UZJXDRJLMJUPGR-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccccc1CCNCc1cc(C)on1 ZINC000357012746 175323800 /nfs/dbraw/zinc/32/38/00/175323800.db2.gz REGOPKABFQISCG-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN COc1ccccc1CNCc1cccn1C ZINC000020359868 175329790 /nfs/dbraw/zinc/32/97/90/175329790.db2.gz OGMWDILKPHDJJJ-UHFFFAOYSA-N 0 1 230.311 2.324 20 0 BEADMN COc1ccnc(CN2CC=C(C)CC2)c1 ZINC000270336948 175357733 /nfs/dbraw/zinc/35/77/33/175357733.db2.gz MXTCZIOQMAULAN-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1ccsc1CN[C@H](C)c1cn[nH]c1 ZINC000270202061 175379804 /nfs/dbraw/zinc/37/98/04/175379804.db2.gz MKSBNFDXCSRZQD-MRVPVSSYSA-N 0 1 237.328 2.331 20 0 BEADMN COc1ncc(CN2CC(C)=C[C@@H](C)C2)c(C)n1 ZINC000337217828 175398130 /nfs/dbraw/zinc/39/81/30/175398130.db2.gz APFAXOQHQCOEBN-SNVBAGLBSA-N 0 1 247.342 2.192 20 0 BEADMN COc1ncc(CN2CCCC(C)(C)C2)c(C)n1 ZINC000337168392 175398711 /nfs/dbraw/zinc/39/87/11/175398711.db2.gz DBAPJVIPMPWHCK-UHFFFAOYSA-N 0 1 249.358 2.416 20 0 BEADMN COc1ncc(CN2CCCC[C@H]2C)c(C)n1 ZINC000337138141 175399484 /nfs/dbraw/zinc/39/94/84/175399484.db2.gz QEHBCTYHMKTBCF-SNVBAGLBSA-N 0 1 235.331 2.168 20 0 BEADMN C[C@@H](c1ccccc1)N1CC[C@](F)(CO)C1 ZINC000309430469 176021710 /nfs/dbraw/zinc/02/17/10/176021710.db2.gz FKNXOUBVUWLALA-WCQYABFASA-N 0 1 223.291 2.154 20 0 BEADMN C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000336709203 176033329 /nfs/dbraw/zinc/03/33/29/176033329.db2.gz WANFPADYUAQPRI-WDEREUQCSA-N 0 1 241.356 2.156 20 0 BEADMN C[C@@H]1CC/C(=C\C(=O)Nc2cn[nH]c2)C1 ZINC000267868798 176056890 /nfs/dbraw/zinc/05/68/90/176056890.db2.gz QAEIHXQTHAXAJZ-CBVZUMJXSA-N 0 1 205.261 2.095 20 0 BEADMN C[C@@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000158948426 176073125 /nfs/dbraw/zinc/07/31/25/176073125.db2.gz LNFJUZBDBJPGDC-SECBINFHSA-N 0 1 238.356 2.221 20 0 BEADMN C[C@@H]1CCCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000192903270 176084240 /nfs/dbraw/zinc/08/42/40/176084240.db2.gz VYLZGZGKAOUJOP-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000104360959 176093945 /nfs/dbraw/zinc/09/39/45/176093945.db2.gz IQGQXLZDQQPXSJ-OCCSQVGLSA-N 0 1 246.354 2.335 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000131559043 176094644 /nfs/dbraw/zinc/09/46/44/176094644.db2.gz HSDIDAFAYGVNPR-MNOVXSKESA-N 0 1 247.342 2.088 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])[C@@H]1C ZINC000050565455 176098499 /nfs/dbraw/zinc/09/84/99/176098499.db2.gz CEUXZBZYGBEIPN-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1[nH]nc2ccccc21 ZINC000077738028 176107338 /nfs/dbraw/zinc/10/73/38/176107338.db2.gz XWDQCLOSCQOOTF-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000037911328 176109009 /nfs/dbraw/zinc/10/90/09/176109009.db2.gz VHOGMUIBRBSNPD-SNVBAGLBSA-N 0 1 219.284 2.369 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)CCc1cnc[nH]1 ZINC000193285147 176113831 /nfs/dbraw/zinc/11/38/31/176113831.db2.gz IDHVBTHKKBUEQO-GHMZBOCLSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2csnn2)[C@@H]1C ZINC000036901961 176124137 /nfs/dbraw/zinc/12/41/37/176124137.db2.gz VCTUKORKCFBIDB-FXPVBKGRSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1C ZINC000179338235 176162378 /nfs/dbraw/zinc/16/23/78/176162378.db2.gz CNADCAQRFWQBCO-ZJUUUORDSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000263655092 176172708 /nfs/dbraw/zinc/17/27/08/176172708.db2.gz CKUYTXBRRPTZCG-RNCFNFMXSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)[C@@H]1CO ZINC000189732993 176174227 /nfs/dbraw/zinc/17/42/27/176174227.db2.gz YVYQKTKEDNHOLK-NOZJJQNGSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)[C@H]1CO ZINC000249001576 176174417 /nfs/dbraw/zinc/17/44/17/176174417.db2.gz YVYQKTKEDNHOLK-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000352742827 176176673 /nfs/dbraw/zinc/17/66/73/176176673.db2.gz QSVSZGJWIRVYFZ-BZNIZROVSA-N 0 1 237.368 2.266 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000274473186 176177784 /nfs/dbraw/zinc/17/77/84/176177784.db2.gz KKPVIILHBPSRQH-MRVPVSSYSA-N 0 1 229.274 2.200 20 0 BEADMN C[C@@H]1CCOCCN1CCC(=O)c1ccccc1 ZINC000367857011 176188238 /nfs/dbraw/zinc/18/82/38/176188238.db2.gz MQBVBIGUWHNDDG-CYBMUJFWSA-N 0 1 247.338 2.370 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2nccn2C)C1 ZINC000076149103 176197235 /nfs/dbraw/zinc/19/72/35/176197235.db2.gz HBWUGZVGBCZPPW-GHMZBOCLSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(CC(=O)c2cccn2C)C1 ZINC000088706285 176198048 /nfs/dbraw/zinc/19/80/48/176198048.db2.gz ZXOSQNNIUPQGMZ-VXGBXAGGSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)c1cccn1C ZINC000123243068 176199135 /nfs/dbraw/zinc/19/91/35/176199135.db2.gz WCJZKAXMFRRSML-GHMZBOCLSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@@H]1CC[C@H](NCC(F)(F)CO)[C@H](C)C1 ZINC000300395711 176233023 /nfs/dbraw/zinc/23/30/23/176233023.db2.gz GEDMJJSWWHOZBW-BBBLOLIVSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@@H]1CN(C(=O)C2CCCCC2)[C@H](C)CN1C ZINC000336527766 176243531 /nfs/dbraw/zinc/24/35/31/176243531.db2.gz CJDUERKKOFYTSQ-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@@H](C)N1C ZINC000358736898 176244549 /nfs/dbraw/zinc/24/45/49/176244549.db2.gz MRXJKUHDTXRGFN-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)N1CCN[C@H](C)C1 ZINC000188442807 176256844 /nfs/dbraw/zinc/25/68/44/176256844.db2.gz YUDLONXXGVTTHT-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@@H]1c1ccccc1 ZINC000173991717 176260774 /nfs/dbraw/zinc/26/07/74/176260774.db2.gz SUUFXBQUXRECLT-MFKMUULPSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)[C@@H]1C ZINC000294276416 176262119 /nfs/dbraw/zinc/26/21/19/176262119.db2.gz UEMMVRMDJXFEFT-RKDXNWHRSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC000294067934 176262180 /nfs/dbraw/zinc/26/21/80/176262180.db2.gz LIRZJDXHXZZCKB-RKDXNWHRSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC000267744752 176262182 /nfs/dbraw/zinc/26/21/82/176262182.db2.gz XFYDFCFYJPVXCT-AOOOYVTPSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@@H]1CN(C)CCN1Cc1cccc(F)c1F ZINC000353599186 176266941 /nfs/dbraw/zinc/26/69/41/176266941.db2.gz WORIWTYKDNZGJQ-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(CCCCO)[C@H](c2ccccc2)CO1 ZINC000266526506 176287665 /nfs/dbraw/zinc/28/76/65/176287665.db2.gz DTVYFAFEUPLOJX-HIFRSBDPSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000235364434 176290290 /nfs/dbraw/zinc/29/02/90/176290290.db2.gz IXJMRIDVCNGZQV-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2F)[C@@H]1C ZINC000292869562 176299578 /nfs/dbraw/zinc/29/95/78/176299578.db2.gz AXKRIZHFUQOUCD-KKFJDGPESA-N 0 1 241.281 2.338 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1CO ZINC000336309639 176302202 /nfs/dbraw/zinc/30/22/02/176302202.db2.gz CGGPRPAZSIMPNW-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2ccncc2)CCS1 ZINC000130374056 176309508 /nfs/dbraw/zinc/30/95/08/176309508.db2.gz KSBGZSFCIVHOQB-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@H]1O ZINC000351820620 176311346 /nfs/dbraw/zinc/31/13/46/176311346.db2.gz AIGWQTUAACUSFR-MWLCHTKSSA-N 0 1 248.351 2.109 20 0 BEADMN C[C@@H]1CN(Cc2nnc3n2CCCC3)C(C)(C)C1 ZINC000336501337 176313373 /nfs/dbraw/zinc/31/33/73/176313373.db2.gz RWYQKMRUTQKNOR-NSHDSACASA-N 0 1 248.374 2.235 20 0 BEADMN C[C@@H]1COCCN1Cc1cccc2cc[nH]c21 ZINC000271097287 176337069 /nfs/dbraw/zinc/33/70/69/176337069.db2.gz MWPXXTFFTWSMDO-LLVKDONJSA-N 0 1 230.311 2.389 20 0 BEADMN C[C@@H]1C[C@@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000276671336 176395715 /nfs/dbraw/zinc/39/57/15/176395715.db2.gz SZOOTQFEDVJQPJ-NXEZZACHSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@@H]1C[C@@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000043115476 176395766 /nfs/dbraw/zinc/39/57/66/176395766.db2.gz FVLZJZATSFEKPY-VXNVDRBHSA-N 0 1 239.702 2.431 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1C(=O)[O-] ZINC000335445602 487633783 /nfs/dbraw/zinc/63/37/83/487633783.db2.gz XPYZDNMZYVTHRQ-GHMZBOCLSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 ZINC000173644505 176448012 /nfs/dbraw/zinc/44/80/12/176448012.db2.gz LPRUITVPOSRMJV-WZRBSPASSA-N 0 1 247.342 2.132 20 0 BEADMN C[C@@H]1[C@H](O)CCCN1Cc1nc2ccccc2o1 ZINC000335598255 176504415 /nfs/dbraw/zinc/50/44/15/176504415.db2.gz VSNDFPRJNZWEPE-ZYHUDNBSSA-N 0 1 246.310 2.173 20 0 BEADMN CCOc1ccc(CN2CCCCC2)nc1 ZINC000674858917 487635362 /nfs/dbraw/zinc/63/53/62/487635362.db2.gz FLBMBKGBSCVJQO-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN C[C@H](NCCOCC(F)F)c1ccco1 ZINC000130988087 176850834 /nfs/dbraw/zinc/85/08/34/176850834.db2.gz SZYAHDSYNZCVAO-QMMMGPOBSA-N 0 1 219.231 2.212 20 0 BEADMN C[C@@H](NC[C@H](C)O)c1ncc(-c2ccccc2)o1 ZINC000281482685 176991069 /nfs/dbraw/zinc/99/10/69/176991069.db2.gz WSTHYRVYYUNMNK-WDEREUQCSA-N 0 1 246.310 2.373 20 0 BEADMN C[C@H](O)C[C@H]1CCCCCN1Cc1ccon1 ZINC000352881952 177001406 /nfs/dbraw/zinc/00/14/06/177001406.db2.gz GDMAOWAXTNJSIC-WCQYABFASA-N 0 1 238.331 2.190 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000162800468 177008902 /nfs/dbraw/zinc/00/89/02/177008902.db2.gz OXXDYLLPWHCQSN-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](c1cccc(O)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000086802227 177036453 /nfs/dbraw/zinc/03/64/53/177036453.db2.gz QLZFAGSAFHWDRZ-SNVBAGLBSA-N 0 1 237.299 2.250 20 0 BEADMN C[C@H](c1ccco1)N(C)CCn1cccn1 ZINC000069065368 177047722 /nfs/dbraw/zinc/04/77/22/177047722.db2.gz KSAPBOOMBIGZMG-LLVKDONJSA-N 0 1 219.288 2.169 20 0 BEADMN C[C@H](c1cnccn1)N1CCSC(C)(C)C1 ZINC000184610252 177050988 /nfs/dbraw/zinc/05/09/88/177050988.db2.gz SRMFHYDYTZLMSY-SNVBAGLBSA-N 0 1 237.372 2.365 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cnns1 ZINC000335193441 177063806 /nfs/dbraw/zinc/06/38/06/177063806.db2.gz VGJRMGPBAPASEM-QMMMGPOBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1cnns1 ZINC000335193441 177063807 /nfs/dbraw/zinc/06/38/07/177063807.db2.gz VGJRMGPBAPASEM-QMMMGPOBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CC(NC(=O)CCc2cnc[nH]2)C[C@H](C)C1 ZINC000193324435 177064738 /nfs/dbraw/zinc/06/47/38/177064738.db2.gz IDVFGUUGUCQZDS-GHMZBOCLSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000034974426 177077009 /nfs/dbraw/zinc/07/70/09/177077009.db2.gz UNLDCFASSPMHIR-VIFPVBQESA-N 0 1 223.272 2.352 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccn[nH]1 ZINC000049226837 177081253 /nfs/dbraw/zinc/08/12/53/177081253.db2.gz VYHHYBLRULPROE-ONGXEEELSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1 ZINC000302528877 177082158 /nfs/dbraw/zinc/08/21/58/177082158.db2.gz DMTJUHWLEMJXDG-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)c1ccccc1 ZINC000034651141 177082643 /nfs/dbraw/zinc/08/26/43/177082643.db2.gz WSBQEESNWKTLSS-FPMFFAJLSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H]1CCC[C@@H](NCc2csnn2)C1 ZINC000037507488 177123208 /nfs/dbraw/zinc/12/32/08/177123208.db2.gz IDUWNJPRSOGHDT-DTWKUNHWSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC(O)C1 ZINC000353496211 177089738 /nfs/dbraw/zinc/08/97/38/177089738.db2.gz PTLFKLFHZORZPA-GFJIZPEISA-N 0 1 241.375 2.037 20 0 BEADMN C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1(CO)CC1 ZINC000353028392 177089831 /nfs/dbraw/zinc/08/98/31/177089831.db2.gz NOAUOWXDYZDFQV-QWHCGFSZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccs2)[C@@H]1C(=O)[O-] ZINC000235671763 177101622 /nfs/dbraw/zinc/10/16/22/177101622.db2.gz RVRHYAIAMGSGMW-ONGXEEELSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC[C@@H]2C)s1 ZINC000289023720 177111075 /nfs/dbraw/zinc/11/10/75/177111075.db2.gz AVXOFUWCRYSTJG-DTWKUNHWSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1oncc1C(=O)[O-] ZINC000077055663 177117409 /nfs/dbraw/zinc/11/74/09/177117409.db2.gz LPDIRIRZIIXOGK-DTORHVGOSA-N 0 1 238.287 2.136 20 0 BEADMN C[C@H]1CCC[C@@H](CNC(=O)c2cnccc2N)C1 ZINC000187509359 177119301 /nfs/dbraw/zinc/11/93/01/177119301.db2.gz DBVJFEDUKWQLNC-WDEREUQCSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2nccn2C)C1 ZINC000125320270 177130206 /nfs/dbraw/zinc/13/02/06/177130206.db2.gz ZMRDZUQEZGFGPJ-RYUDHWBXSA-N 0 1 221.348 2.431 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000124498598 177132030 /nfs/dbraw/zinc/13/20/30/177132030.db2.gz ARZLPENEUKHXMM-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCC[C@H](CC(=O)NCc2cnc[nH]2)C1 ZINC000330896959 177132285 /nfs/dbraw/zinc/13/22/85/177132285.db2.gz LSPFODLDWBFPLD-QWRGUYRKSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)c2cnccc2N)C1 ZINC000187509319 177133506 /nfs/dbraw/zinc/13/35/06/177133506.db2.gz DBVJFEDUKWQLNC-QWRGUYRKSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000283317806 177141897 /nfs/dbraw/zinc/14/18/97/177141897.db2.gz FKKXOBYWIIXLOT-GXFFZTMASA-N 0 1 243.310 2.253 20 0 BEADMN C[C@H]1CCN(Cc2cccc(F)c2F)[C@@H]1CO ZINC000189719963 177166065 /nfs/dbraw/zinc/16/60/65/177166065.db2.gz SJGDROYKXFGFRI-JOYOIKCWSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1CCOCCN1Cc1ccc(F)cc1 ZINC000367663329 177177321 /nfs/dbraw/zinc/17/73/21/177177321.db2.gz QBFZOVJMYRGSRV-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CC[C@@H](N(C)Cc2nccn2C)C1 ZINC000275686738 177191208 /nfs/dbraw/zinc/19/12/08/177191208.db2.gz OYJGHEPGMBAEKP-WDEREUQCSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CC[C@@H](N(CCO)Cc2nccs2)C1 ZINC000356360964 177191263 /nfs/dbraw/zinc/19/12/63/177191263.db2.gz JHYUFGFMBLMRHB-WDEREUQCSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H]1CC[C@H](N(C)CC(=O)OC(C)(C)C)C1 ZINC000338952762 177203426 /nfs/dbraw/zinc/20/34/26/177203426.db2.gz PBKZIHMOPWXLJS-QWRGUYRKSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](Cc3ncccn3)C2)C1 ZINC000336544238 177207980 /nfs/dbraw/zinc/20/79/80/177207980.db2.gz SAEUDWHRLALKLU-JSGCOSHPSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@H]1CC[C@]2(CCN(Cc3ncccn3)C2)C1 ZINC000336544238 177207981 /nfs/dbraw/zinc/20/79/81/177207981.db2.gz SAEUDWHRLALKLU-JSGCOSHPSA-N 0 1 231.343 2.489 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CC1CCCC1 ZINC000336369495 177214014 /nfs/dbraw/zinc/21/40/14/177214014.db2.gz YKWONYVNQXPMQA-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C(=O)CCC2CCCC2)C[C@H](C)N1 ZINC000070075715 177214632 /nfs/dbraw/zinc/21/46/32/177214632.db2.gz WUIPBWBBXLLXDW-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)C(C)(C)C ZINC000358712468 177221970 /nfs/dbraw/zinc/22/19/70/177221970.db2.gz IHHPTWMNXABRCO-GRYCIOLGSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1c(O)cccc1F ZINC000294056827 177225746 /nfs/dbraw/zinc/22/57/46/177225746.db2.gz KUOZWAOKUSKVCF-JGVFFNPUSA-N 0 1 223.247 2.012 20 0 BEADMN C[C@H]1CN(C(=O)c2ccn[nH]2)[C@H]1c1ccccc1 ZINC000173991750 177226757 /nfs/dbraw/zinc/22/67/57/177226757.db2.gz SUUFXBQUXRECLT-GXFFZTMASA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc2c[nH]nc21 ZINC000334467842 177228506 /nfs/dbraw/zinc/22/85/06/177228506.db2.gz WZFHEIVSLLUGFL-DTWKUNHWSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCCc1ccncc1 ZINC000360469571 177250543 /nfs/dbraw/zinc/25/05/43/177250543.db2.gz POFXBTSDHYITCK-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H]1CN(CCOC2CCC2)C[C@H](C2CC2)O1 ZINC000367871357 177252536 /nfs/dbraw/zinc/25/25/36/177252536.db2.gz CQTBFSMWAKCVQH-SMDDNHRTSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@H]1CN(CCc2ccccc2)[C@@H](C)CO1 ZINC000220335247 177254253 /nfs/dbraw/zinc/25/42/53/177254253.db2.gz ZZEZGQKVHZKXNV-STQMWFEESA-N 0 1 219.328 2.338 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)o2)[C@@H](C)CN1C ZINC000361155763 177262717 /nfs/dbraw/zinc/26/27/17/177262717.db2.gz PZPIYYCJJCRIGF-UWVGGRQHSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1CN(Cc2cccc(C(=O)N(C)C)c2)[C@H]1C ZINC000293003194 177264700 /nfs/dbraw/zinc/26/47/00/177264700.db2.gz NEIFKKKJXKDQJS-RYUDHWBXSA-N 0 1 246.354 2.229 20 0 BEADMN C[C@H]1CN(Cc2cccc(F)c2)CCCO1 ZINC000170771967 177265390 /nfs/dbraw/zinc/26/53/90/177265390.db2.gz YNMJNFWSUNEAQT-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CN(Cc2ccnc(N)c2)CCC1(F)F ZINC000289687806 177267906 /nfs/dbraw/zinc/26/79/06/177267906.db2.gz GTXRICFYVDPZHY-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN C[C@H]1CN(Cc2cccnc2N)CCC1(F)F ZINC000295263980 177268411 /nfs/dbraw/zinc/26/84/11/177268411.db2.gz YKXPQMDQDNFILC-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)c2)C[C@@H](C2CC2)O1 ZINC000280534685 177268428 /nfs/dbraw/zinc/26/84/28/177268428.db2.gz IRJJGMMCVCTTQU-FZMZJTMJSA-N 0 1 234.343 2.024 20 0 BEADMN C[C@H]1CN(Cc2nccn2C)CC(C)(C)C1 ZINC000336430347 177271881 /nfs/dbraw/zinc/27/18/81/177271881.db2.gz RXROPIQDCJKNJG-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN CC[C@H](C)CN(C)Cc1nnc2ccccn21 ZINC000674865149 487637737 /nfs/dbraw/zinc/63/77/37/487637737.db2.gz UIJNVRYUUZVKPL-NSHDSACASA-N 0 1 232.331 2.207 20 0 BEADMN C[C@H]1CO[C@@H](CO)C[N@H+]1CCCC1CCCC1 ZINC000153192754 177300195 /nfs/dbraw/zinc/30/01/95/177300195.db2.gz UTQRKWHBTMWWPN-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CO[C@@H](CO)CN1CCCC1CCCC1 ZINC000153192754 177300197 /nfs/dbraw/zinc/30/01/97/177300197.db2.gz UTQRKWHBTMWWPN-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1CO[C@@H](CO)C[N@H+]1CCC1CCCCC1 ZINC000305255337 177300512 /nfs/dbraw/zinc/30/05/12/177300512.db2.gz AOJOPLZAYAMNQU-GXTWGEPZSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C[C@@H](C)C1 ZINC000249083818 177318038 /nfs/dbraw/zinc/31/80/38/177318038.db2.gz IDVFGUUGUCQZDS-PJXYFTJBSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H]1C[C@@H](C[N@@H+](C)Cc2nccs2)CCO1 ZINC000352617678 177323830 /nfs/dbraw/zinc/32/38/30/177323830.db2.gz HAEXXRGEHMCWDU-QWRGUYRKSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1C[C@@H](CN(C)Cc2nccs2)CCO1 ZINC000352617678 177323831 /nfs/dbraw/zinc/32/38/31/177323831.db2.gz HAEXXRGEHMCWDU-QWRGUYRKSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1C[C@@H](NCc2cnnn2C)c2ccccc21 ZINC000267532223 177333882 /nfs/dbraw/zinc/33/38/82/177333882.db2.gz SYLWYHKOPFWQTA-IINYFYTJSA-N 0 1 242.326 2.153 20 0 BEADMN C[C@H]1C[C@@H]1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000354913201 177342176 /nfs/dbraw/zinc/34/21/76/177342176.db2.gz GHBITDDOOOWTCZ-CMPLNLGQSA-N 0 1 247.342 2.128 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC000268768761 177351715 /nfs/dbraw/zinc/35/17/15/177351715.db2.gz CZHBVSHWOGBZHM-FMSGJZPZSA-N 0 1 247.338 2.430 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(C)n2)[C@@H](C)C1 ZINC000271201640 177355872 /nfs/dbraw/zinc/35/58/72/177355872.db2.gz WLIZNXHJDBLQPK-MNOVXSKESA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1C[C@H](C)CN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000034935730 177357577 /nfs/dbraw/zinc/35/75/77/177357577.db2.gz WWTKNCFMGBFYPT-SGMGOOAPSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 ZINC000124906079 177386711 /nfs/dbraw/zinc/38/67/11/177386711.db2.gz JLGVCHVIQUITCR-UMNHJUIQSA-N 0 1 233.315 2.203 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CCC1CCCC1 ZINC000357858282 177415224 /nfs/dbraw/zinc/41/52/24/177415224.db2.gz GMYUQODMUGWJCI-WQGACYEGSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1nccc(NC[C@@H]2CC[C@H](O)C2)c1Cl ZINC000335557896 177517455 /nfs/dbraw/zinc/51/74/55/177517455.db2.gz LQWPOHOBLPIHFD-ZJUUUORDSA-N 0 1 240.734 2.038 20 0 BEADMN CN1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000681996747 487639903 /nfs/dbraw/zinc/63/99/03/487639903.db2.gz NBPWULHYUCUDOY-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1ncc(CNC(=O)[C@H](C)C2CCC2)[nH]1 ZINC001652464365 1173085219 /nfs/dbraw/zinc/08/52/19/1173085219.db2.gz ZOBMHPMHFMPDQF-SECBINFHSA-N 0 1 235.331 2.025 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H](C)C2CCC2)[nH]1 ZINC001652464366 1173084626 /nfs/dbraw/zinc/08/46/26/1173084626.db2.gz ZOBMHPMHFMPDQF-VIFPVBQESA-N 0 1 235.331 2.025 20 0 BEADMN C[C@@H]1CN(CCCOC(C)(C)C)C[C@H](C)O1 ZINC000674901919 487646460 /nfs/dbraw/zinc/64/64/60/487646460.db2.gz HGUHCKYWMZCKMJ-TXEJJXNPSA-N 0 1 229.364 2.301 20 0 BEADMN O=C(C=CC1CCC1)Nc1nc(C2CCC2)n[nH]1 ZINC000492579722 226020889 /nfs/dbraw/zinc/02/08/89/226020889.db2.gz IEINTJJQEWPNQG-BQYQJAHWSA-N 0 1 246.314 2.367 20 0 BEADMN O=C(/C=C/C1CCC1)Nc1n[nH]c(C2CCC2)n1 ZINC000492579722 226020893 /nfs/dbraw/zinc/02/08/93/226020893.db2.gz IEINTJJQEWPNQG-BQYQJAHWSA-N 0 1 246.314 2.367 20 0 BEADMN CO[C@@H](CNC(C)(C)c1nccs1)C1CC1 ZINC000400259614 226338492 /nfs/dbraw/zinc/33/84/92/226338492.db2.gz HKZOHYPJGBFPBO-JTQLQIEISA-N 0 1 240.372 2.393 20 0 BEADMN COCCN(Cc1cccnc1C)C1CC1 ZINC000507158811 226366380 /nfs/dbraw/zinc/36/63/80/226366380.db2.gz GBURNNWQXBHKMB-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000079490689 487650101 /nfs/dbraw/zinc/65/01/01/487650101.db2.gz BRIXXKKUOCDIHJ-AWEZNQCLSA-N 0 1 233.311 2.434 20 0 BEADMN CCOc1cc(C)ccc1CNCc1cn[nH]c1 ZINC000674911473 487653695 /nfs/dbraw/zinc/65/36/95/487653695.db2.gz GCOQJVDHQHVQHD-UHFFFAOYSA-N 0 1 245.326 2.407 20 0 BEADMN CCC1(C(=O)N[C@H]2CCCN(C)C2)CCCC1 ZINC000674922773 487655228 /nfs/dbraw/zinc/65/52/28/487655228.db2.gz IKQFVDWUWUWBSW-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CN(c2ncc(Cl)s2)[C@@H](C)C[N@H+]1C ZINC000680898829 487663059 /nfs/dbraw/zinc/66/30/59/487663059.db2.gz MIBDHBWCHMJYPO-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@@H]1CN(c2ncc(Cl)s2)[C@@H](C)CN1C ZINC000680898829 487663061 /nfs/dbraw/zinc/66/30/61/487663061.db2.gz MIBDHBWCHMJYPO-SFYZADRCSA-N 0 1 245.779 2.325 20 0 BEADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC(C)C1 ZINC000557481759 322938141 /nfs/dbraw/zinc/93/81/41/322938141.db2.gz QYABJLGUQXWMBJ-OLZOCXBDSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](CF)NCc1scnc1C1CC1 ZINC000308526007 487665924 /nfs/dbraw/zinc/66/59/24/487665924.db2.gz XITYCVLGZREDDX-ZETCQYMHSA-N 0 1 214.309 2.468 20 0 BEADMN CC(C)COCCN1CC2(C1)CC(F)(F)C2 ZINC000669691688 487667617 /nfs/dbraw/zinc/66/76/17/487667617.db2.gz FWZBDVSXTBOSJS-UHFFFAOYSA-N 0 1 233.302 2.390 20 0 BEADMN CCC[C@](C)([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC000394712849 262744607 /nfs/dbraw/zinc/74/46/07/262744607.db2.gz YINRGBAWGOVCKV-NSHDSACASA-N 0 1 242.344 2.185 20 0 BEADMN C[C@@H]1[C@@H](C)N(c2ncc(Cl)s2)CCN1C ZINC000680899925 487669850 /nfs/dbraw/zinc/66/98/50/487669850.db2.gz YHFPBKYNYZMFDK-HTQZYQBOSA-N 0 1 245.779 2.325 20 0 BEADMN CO[C@H]1C[C@H](NCc2cscn2)C12CCC2 ZINC000308338517 229226547 /nfs/dbraw/zinc/22/65/47/229226547.db2.gz GDRLTOQGICMHPU-QWRGUYRKSA-N 0 1 238.356 2.190 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000457009351 487672820 /nfs/dbraw/zinc/67/28/20/487672820.db2.gz GWIKONSSYGDBCK-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCCCC1(C)C)N(C)C ZINC000675147251 487675252 /nfs/dbraw/zinc/67/52/52/487675252.db2.gz GDXDPKRTHYJOTM-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN CCCC1(CNC(=O)[C@H](C)N(C)C)CCC1 ZINC000675173421 487677065 /nfs/dbraw/zinc/67/70/65/487677065.db2.gz OJWCATFIODXJQH-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc(CN(C(=O)c2ccn[nH]2)C2CC2)o1 ZINC000046283753 487677202 /nfs/dbraw/zinc/67/72/02/487677202.db2.gz VHJPAAQZZDUSPZ-UHFFFAOYSA-N 0 1 245.282 2.116 20 0 BEADMN COCCCCN(C)Cc1cc(C2CC2)no1 ZINC000660826973 487681252 /nfs/dbraw/zinc/68/12/52/487681252.db2.gz VQGBWOQBMLDCSU-UHFFFAOYSA-N 0 1 238.331 2.410 20 0 BEADMN c1cc(CNCCc2ccsc2)no1 ZINC000088053932 487696568 /nfs/dbraw/zinc/69/65/68/487696568.db2.gz JDBLVQQRWXXSPN-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN CCN(CC(C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000031375891 262805469 /nfs/dbraw/zinc/80/54/69/262805469.db2.gz YCZDFKTVCVSZRS-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CCONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000527790523 262881933 /nfs/dbraw/zinc/88/19/33/262881933.db2.gz YODSZQFCFHCFEJ-SECBINFHSA-N 0 1 225.675 2.047 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ncccc1Cl ZINC000528448210 262949033 /nfs/dbraw/zinc/94/90/33/262949033.db2.gz IVUGUPQRCYCGIB-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H](c1cnccn1)N1CC[C@@H](C(F)F)C1 ZINC000681025517 487701183 /nfs/dbraw/zinc/70/11/83/487701183.db2.gz ZUHIMHVRSLDTDG-RKDXNWHRSA-N 0 1 227.258 2.125 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000120839602 490069799 /nfs/dbraw/zinc/06/97/99/490069799.db2.gz HMYODWLDQMRJMA-SNVBAGLBSA-N 0 1 249.358 2.453 20 0 BEADMN CCOc1ccccc1CN(C)C1(CO)CC1 ZINC000671727573 487708910 /nfs/dbraw/zinc/70/89/10/487708910.db2.gz XGIQMHIELMEZOT-UHFFFAOYSA-N 0 1 235.327 2.042 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)Cc1cn[nH]c1 ZINC000683899320 487710735 /nfs/dbraw/zinc/71/07/35/487710735.db2.gz DETNEXOZMQMGFK-ZDUSSCGKSA-N 0 1 230.315 2.388 20 0 BEADMN CCC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135031144 487713214 /nfs/dbraw/zinc/71/32/14/487713214.db2.gz IDNQPMQBATUCAA-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000669712950 487716327 /nfs/dbraw/zinc/71/63/27/487716327.db2.gz CFGJISKXLZZISX-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN O=C([O-])C[N@H+](Cc1cccs1)CC1CC1 ZINC000036885995 487717625 /nfs/dbraw/zinc/71/76/25/487717625.db2.gz YKEXKJFCIYWWLV-UHFFFAOYSA-N 0 1 225.313 2.045 20 0 BEADMN FC(F)C1CC(Nc2ccc3nn[nH]c3c2)C1 ZINC000681089988 487718787 /nfs/dbraw/zinc/71/87/87/487718787.db2.gz JCNFASGTCHHNAR-UHFFFAOYSA-N 0 1 238.241 2.414 20 0 BEADMN FC(F)C1CC(Nc2ccc3n[nH]nc3c2)C1 ZINC000681089988 487718795 /nfs/dbraw/zinc/71/87/95/487718795.db2.gz JCNFASGTCHHNAR-UHFFFAOYSA-N 0 1 238.241 2.414 20 0 BEADMN CCC[N@H+](CC(=O)[O-])CC1Cc2ccccc2C1 ZINC000666584103 487720847 /nfs/dbraw/zinc/72/08/47/487720847.db2.gz BUFBWWIQRSQVFZ-UHFFFAOYSA-N 0 1 247.338 2.198 20 0 BEADMN CCc1ccc(CN(C)Cc2cnc[nH]2)o1 ZINC000668421863 487725506 /nfs/dbraw/zinc/72/55/06/487725506.db2.gz IYSJDVUGUZHLSB-UHFFFAOYSA-N 0 1 219.288 2.197 20 0 BEADMN C[C@H]1CCC[C@@H](CCNCc2ncnn2C)C1 ZINC000088572239 487734655 /nfs/dbraw/zinc/73/46/55/487734655.db2.gz MNEZDNLXPGDXQF-RYUDHWBXSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1cccc(C)c1C(=O)N[C@@H]1CCCN(C)C1 ZINC000675565553 487749206 /nfs/dbraw/zinc/74/92/06/487749206.db2.gz QFXSNMNNRKBPNI-CYBMUJFWSA-N 0 1 246.354 2.127 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C(=O)[C@H](C)N(C)C)C1CC1 ZINC000674263384 487755559 /nfs/dbraw/zinc/75/55/59/487755559.db2.gz HDFOWUZRXZPFOX-WOPDTQHZSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)[C@H](C)N(C)C)C1CC1 ZINC000674263381 487755972 /nfs/dbraw/zinc/75/59/72/487755972.db2.gz HDFOWUZRXZPFOX-SRVKXCTJSA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000681242644 487757659 /nfs/dbraw/zinc/75/76/59/487757659.db2.gz BSCXUONESDHASV-NEPJUHHUSA-N 0 1 247.342 2.378 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000681242647 487758543 /nfs/dbraw/zinc/75/85/43/487758543.db2.gz BSCXUONESDHASV-VXGBXAGGSA-N 0 1 247.342 2.378 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000681242646 487758629 /nfs/dbraw/zinc/75/86/29/487758629.db2.gz BSCXUONESDHASV-RYUDHWBXSA-N 0 1 247.342 2.378 20 0 BEADMN CCn1nncc1CN(CCC(C)C)C1CC1 ZINC000459312284 487760097 /nfs/dbraw/zinc/76/00/97/487760097.db2.gz YRAJOOHMRHXMRC-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@H]1NCC(F)(F)CN ZINC000414927117 487763318 /nfs/dbraw/zinc/76/33/18/487763318.db2.gz LAIYKAMBTKPJSZ-NXEZZACHSA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000631217436 487765177 /nfs/dbraw/zinc/76/51/77/487765177.db2.gz BSWKRZVQZPCOLZ-IJLUTSLNSA-N 0 1 237.347 2.120 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000631217432 487765456 /nfs/dbraw/zinc/76/54/56/487765456.db2.gz BSWKRZVQZPCOLZ-GRYCIOLGSA-N 0 1 237.347 2.120 20 0 BEADMN Cc1nnsc1CN1CCS[C@@H](C)CC1 ZINC000649593056 487766902 /nfs/dbraw/zinc/76/69/02/487766902.db2.gz DNSHAMALFXVLEH-QMMMGPOBSA-N 0 1 243.401 2.174 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)CC(C)(C)C)n[nH]1 ZINC000681276412 487767705 /nfs/dbraw/zinc/76/77/05/487767705.db2.gz QBKLVOYKVKFXAX-SECBINFHSA-N 0 1 237.347 2.407 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)CC(C)(C)C)n[nH]1 ZINC000681276413 487767505 /nfs/dbraw/zinc/76/75/05/487767505.db2.gz QBKLVOYKVKFXAX-VIFPVBQESA-N 0 1 237.347 2.407 20 0 BEADMN C[C@H]1CCN(CCOCC2CC2)C[C@@H]1F ZINC000679224147 487786961 /nfs/dbraw/zinc/78/69/61/487786961.db2.gz NOPGVUOTCAOLDZ-JQWIXIFHSA-N 0 1 215.312 2.093 20 0 BEADMN Cc1cc(CN[C@H](C)c2cncc(F)c2)[nH]n1 ZINC000675893932 487788387 /nfs/dbraw/zinc/78/83/87/487788387.db2.gz YEPWHGBWDYYEPJ-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@H]1OCCN(CCCOC(C)(C)C)[C@H]1C ZINC000675897335 487789907 /nfs/dbraw/zinc/78/99/07/487789907.db2.gz RJPDSJSTXRZBAM-NWDGAFQWSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000164053530 487790516 /nfs/dbraw/zinc/79/05/16/487790516.db2.gz NXXKDGVPUCLCPD-APPZFPTMSA-N 0 1 207.277 2.008 20 0 BEADMN CCC[C@@H](O)CN1CCn2cccc2[C@@H]1C ZINC000296670749 487790966 /nfs/dbraw/zinc/79/09/66/487790966.db2.gz ZJJKSYUZVCHGNR-NWDGAFQWSA-N 0 1 222.332 2.026 20 0 BEADMN CCC[C@@H](O)CN1CCn2cccc2[C@H]1C ZINC000296670762 487791435 /nfs/dbraw/zinc/79/14/35/487791435.db2.gz ZJJKSYUZVCHGNR-VXGBXAGGSA-N 0 1 222.332 2.026 20 0 BEADMN CCCN(C)Cc1cnnn1-c1ccccc1 ZINC000675943706 487794509 /nfs/dbraw/zinc/79/45/09/487794509.db2.gz HVMWRWKNZBVCLC-UHFFFAOYSA-N 0 1 230.315 2.109 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CC12CCC2 ZINC000675941209 487795630 /nfs/dbraw/zinc/79/56/30/487795630.db2.gz LYAVTCZTGPOZHG-GHMZBOCLSA-N 0 1 245.326 2.094 20 0 BEADMN CCC(C)(CC)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000681001997 487796889 /nfs/dbraw/zinc/79/68/89/487796889.db2.gz ZGBIFJRFWHOFFJ-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1noc(CN2CC[C@H](C)[C@@H]2CC)n1 ZINC000681470453 487800268 /nfs/dbraw/zinc/80/02/68/487800268.db2.gz UMPAEFZOAPESBN-UWVGGRQHSA-N 0 1 223.320 2.252 20 0 BEADMN C[C@H](NCC(C)(C)OCC1CC1)c1ncc[nH]1 ZINC000414279023 487801404 /nfs/dbraw/zinc/80/14/04/487801404.db2.gz ZKXHGKHSSXCEHW-JTQLQIEISA-N 0 1 237.347 2.266 20 0 BEADMN COC(=O)CN1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000592153365 487807452 /nfs/dbraw/zinc/80/74/52/487807452.db2.gz BHLGPOOWCJOVJG-NWDGAFQWSA-N 0 1 239.359 2.308 20 0 BEADMN CCCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000651646336 487810776 /nfs/dbraw/zinc/81/07/76/487810776.db2.gz ZVEKXJFTCPVYKX-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCCC(C)(C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000651646336 487810780 /nfs/dbraw/zinc/81/07/80/487810780.db2.gz ZVEKXJFTCPVYKX-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Fc1cnccc1CN[C@@H]1C=CCCC1 ZINC000336222355 487813903 /nfs/dbraw/zinc/81/39/03/487813903.db2.gz YHPBMEHNJUQFFG-LLVKDONJSA-N 0 1 206.264 2.419 20 0 BEADMN CC(C)Cn1nccc1CNCc1cccnc1 ZINC000647166594 487822577 /nfs/dbraw/zinc/82/25/77/487822577.db2.gz XOVCTLORMCJESN-UHFFFAOYSA-N 0 1 244.342 2.224 20 0 BEADMN C[C@H](N[C@@H]1CCCCC[C@@H]1C)c1ncn(C)n1 ZINC000651779157 487826624 /nfs/dbraw/zinc/82/66/24/487826624.db2.gz XPHUWYBDDZAZHX-SDDRHHMPSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@H](N[C@H]1CCCCC[C@H]1C)c1ncn(C)n1 ZINC000651779159 487826642 /nfs/dbraw/zinc/82/66/42/487826642.db2.gz XPHUWYBDDZAZHX-WOPDTQHZSA-N 0 1 236.363 2.435 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@@H](C)[C@@H]2C)n1 ZINC000674466741 487830195 /nfs/dbraw/zinc/83/01/95/487830195.db2.gz NQSNGXAGILUADF-VGMNWLOBSA-N 0 1 209.293 2.169 20 0 BEADMN CC1(C)CN[C@@H]1c1nc(-c2cccs2)no1 ZINC000666571073 487833755 /nfs/dbraw/zinc/83/37/55/487833755.db2.gz XBCDRRZBTVAPAZ-MRVPVSSYSA-N 0 1 235.312 2.469 20 0 BEADMN BrC1(CN2C[C@@H]3C[C@H]2CS3)CC1 ZINC000846995030 588300849 /nfs/dbraw/zinc/30/08/49/588300849.db2.gz VYCLPPXVUBLEDM-YUMQZZPRSA-N 0 1 248.189 2.104 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)nc1 ZINC000156663195 487844022 /nfs/dbraw/zinc/84/40/22/487844022.db2.gz NYTDVCBFZMQSFD-CQSZACIVSA-N 0 1 248.326 2.077 20 0 BEADMN COc1cncc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000676391212 487844432 /nfs/dbraw/zinc/84/44/32/487844432.db2.gz UCWIXDQWYUDBBD-SNVBAGLBSA-N 0 1 242.269 2.177 20 0 BEADMN C[C@H]1CC[N@@H+](CCCCC(=O)[O-])C[C@H]1C ZINC000253077119 487846811 /nfs/dbraw/zinc/84/68/11/487846811.db2.gz RVIJHXPJZRHSCY-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN ClC1=CCCN(C[C@H]2CCCCO2)C1 ZINC000878794319 590624070 /nfs/dbraw/zinc/62/40/70/590624070.db2.gz ZIUVPZXXVLXMFB-LLVKDONJSA-N 0 1 215.724 2.384 20 0 BEADMN COc1ccc(-n2[nH]c(C)c(C)c2=O)cc1 ZINC000108995855 487849450 /nfs/dbraw/zinc/84/94/50/487849450.db2.gz FXKOWEDVYFATFO-MRVPVSSYSA-N 0 1 218.256 2.054 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC2CC(C)(C)C2)cc1 ZINC000395286312 487849530 /nfs/dbraw/zinc/84/95/30/487849530.db2.gz GWIDKNKNPRASEF-ZDUSSCGKSA-N 0 1 246.354 2.300 20 0 BEADMN CO[C@@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000681751332 487855117 /nfs/dbraw/zinc/85/51/17/487855117.db2.gz XEHNHLWILRLKKA-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)(C)OC(=O)CN1CCCC12CCC2 ZINC000373096800 487859165 /nfs/dbraw/zinc/85/91/65/487859165.db2.gz YWPMPIMOVNDTGL-UHFFFAOYSA-N 0 1 225.332 2.347 20 0 BEADMN CC1(C)CN(Cc2cnc3n2CCC3)[C@H]1C1CC1 ZINC000668178094 487864891 /nfs/dbraw/zinc/86/48/91/487864891.db2.gz NGAPFXHVAPGDSY-AWEZNQCLSA-N 0 1 245.370 2.450 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C1CCCC1 ZINC000172740066 641104907 /nfs/dbraw/zinc/10/49/07/641104907.db2.gz YMLNJASFZHPWHF-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CCN(Cc1ccc(F)c(F)c1F)[C@H](C)CO ZINC000668184824 487868958 /nfs/dbraw/zinc/86/89/58/487868958.db2.gz SIWYDJVRNQAWDK-MRVPVSSYSA-N 0 1 247.260 2.307 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000306258860 487871799 /nfs/dbraw/zinc/87/17/99/487871799.db2.gz RNIXDHXZRYDNDA-QMMMGPOBSA-N 0 1 245.731 2.308 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C1=C(C)CCC1 ZINC000676573800 487875374 /nfs/dbraw/zinc/87/53/74/487875374.db2.gz UZLOSLVWTABDAS-UHFFFAOYSA-N 0 1 247.342 2.267 20 0 BEADMN Cc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)s1 ZINC000083405043 487907410 /nfs/dbraw/zinc/90/74/10/487907410.db2.gz XDEJLLKLFUGAHQ-UHFFFAOYSA-N 0 1 239.340 2.353 20 0 BEADMN CCC(CC)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000083414804 487908743 /nfs/dbraw/zinc/90/87/43/487908743.db2.gz IWGYLPPCQWMFMH-SNVBAGLBSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@@H]1CC(NC(=O)C2(N(C)C)CC2)C[C@@H](C)C1 ZINC000669051075 487911506 /nfs/dbraw/zinc/91/15/06/487911506.db2.gz VIBMOQWRGZXEAF-QWRGUYRKSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCN1C)c1ccsc1 ZINC000669900204 487912465 /nfs/dbraw/zinc/91/24/65/487912465.db2.gz HVXFHQRARZWHLC-GXSJLCMTSA-N 0 1 238.356 2.020 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccsc1 ZINC000669900205 487912872 /nfs/dbraw/zinc/91/28/72/487912872.db2.gz HVXFHQRARZWHLC-KOLCDFICSA-N 0 1 238.356 2.020 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ncc[nH]1)CC(C)C ZINC000417360878 487925035 /nfs/dbraw/zinc/92/50/35/487925035.db2.gz KIYDIBZUHZZICW-QWRGUYRKSA-N 0 1 225.336 2.121 20 0 BEADMN CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000083643621 487926102 /nfs/dbraw/zinc/92/61/02/487926102.db2.gz OVYRFQLLEYAZFZ-GFCCVEGCSA-N 0 1 219.284 2.080 20 0 BEADMN Fc1cccc(CN2CCc3cn[nH]c3C2)c1 ZINC000676792464 487928604 /nfs/dbraw/zinc/92/86/04/487928604.db2.gz JFCKBRLVDPOLHN-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN Clc1cccc(-n2cc(CNC3CC3)nn2)c1 ZINC000090299385 487929944 /nfs/dbraw/zinc/92/99/44/487929944.db2.gz GTIDJQCNWRXPCZ-UHFFFAOYSA-N 0 1 248.717 2.173 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)N(C)C ZINC000682364477 487939970 /nfs/dbraw/zinc/93/99/70/487939970.db2.gz ILEUFMNYSIJHSL-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000668565963 487941822 /nfs/dbraw/zinc/94/18/22/487941822.db2.gz PASRIDOODYGYSC-MNOVXSKESA-N 0 1 249.358 2.019 20 0 BEADMN O=C([O-])c1cc(C[N@@H+]2CC=CCC2)cs1 ZINC000652392804 487942534 /nfs/dbraw/zinc/94/25/34/487942534.db2.gz APQMFQSNIHYRGP-UHFFFAOYSA-N 0 1 223.297 2.208 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667142212 487945171 /nfs/dbraw/zinc/94/51/71/487945171.db2.gz ORZSFVXGBCAYER-AXFHLTTASA-N 0 1 249.358 2.065 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)CC1 ZINC000083854825 487947758 /nfs/dbraw/zinc/94/77/58/487947758.db2.gz BVZBFKVGPYCUSV-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN CCC[N@@H+](CC1(CC(=O)[O-])CC1)C1CC1 ZINC000083854678 487947690 /nfs/dbraw/zinc/94/76/90/487947690.db2.gz LRLIBZCLOFGLSF-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854697 487947823 /nfs/dbraw/zinc/94/78/23/487947823.db2.gz LJBKLTXSQYJECN-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN OC[C@@H](NCc1ccc(O)cc1)c1ccsc1 ZINC000682406972 487950636 /nfs/dbraw/zinc/95/06/36/487950636.db2.gz VEQGNHHLKSZXLH-CYBMUJFWSA-N 0 1 249.335 2.277 20 0 BEADMN C[C@H]1CCCC[C@H]1CNC(=O)C1(N(C)C)CC1 ZINC000667177555 487953975 /nfs/dbraw/zinc/95/39/75/487953975.db2.gz URBATQPVJRGTMG-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)n[nH]1 ZINC000354702974 487953779 /nfs/dbraw/zinc/95/37/79/487953779.db2.gz GRECBRGUZNOJFM-VWYCJHECSA-N 0 1 249.358 2.479 20 0 BEADMN Cc1ccc(C(=O)CCN2CCC(O)CC2)cc1 ZINC000053934771 322934210 /nfs/dbraw/zinc/93/42/10/322934210.db2.gz WTVLRIXTRKALSQ-UHFFFAOYSA-N 0 1 247.338 2.025 20 0 BEADMN FCC(CF)NC1CCC2(CCCO2)CC1 ZINC000560146124 322983271 /nfs/dbraw/zinc/98/32/71/322983271.db2.gz DBHOUCNDDLCWLI-UHFFFAOYSA-N 0 1 233.302 2.375 20 0 BEADMN Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000074727059 323002700 /nfs/dbraw/zinc/00/27/00/323002700.db2.gz UZFILMPXLGCYGE-UHFFFAOYSA-N 0 1 229.283 2.289 20 0 BEADMN CC[C@@H](C)C[N@H+](C)Cc1ncccc1[O-] ZINC000561943512 323008868 /nfs/dbraw/zinc/00/88/68/323008868.db2.gz TYPYKQNQCFNZIS-SNVBAGLBSA-N 0 1 208.305 2.265 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ncccc1[O-] ZINC000561943512 323008869 /nfs/dbraw/zinc/00/88/69/323008869.db2.gz TYPYKQNQCFNZIS-SNVBAGLBSA-N 0 1 208.305 2.265 20 0 BEADMN Cn1ccnc1[C@@H](N[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC000562066045 323011487 /nfs/dbraw/zinc/01/14/87/323011487.db2.gz YBGVMCWNHNMMLR-GUBZILKMSA-N 0 1 241.285 2.114 20 0 BEADMN CCC1(CC)[C@@H](NCc2ncc[nH]2)C[C@@H]1OC ZINC000131338220 323012894 /nfs/dbraw/zinc/01/28/94/323012894.db2.gz JTWIRCHOWZPNEC-QWRGUYRKSA-N 0 1 237.347 2.093 20 0 BEADMN C[C@H](N(C)C(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000562255626 323013979 /nfs/dbraw/zinc/01/39/79/323013979.db2.gz XLXXFGQHJIFBBB-JTQLQIEISA-N 0 1 237.347 2.235 20 0 BEADMN CCCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccnc1 ZINC000565105520 323020854 /nfs/dbraw/zinc/02/08/54/323020854.db2.gz SFDRTWABZPSNCP-GFCCVEGCSA-N 0 1 236.315 2.329 20 0 BEADMN Cc1cccc(NCCc2cnc(C)cn2)n1 ZINC000562725166 323029178 /nfs/dbraw/zinc/02/91/78/323029178.db2.gz HIDCHUNARKRIEI-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN CC[C@@H]1C[N@H+](C)CCN1CCc1ccccc1 ZINC000562857749 323032407 /nfs/dbraw/zinc/03/24/07/323032407.db2.gz WYCFANIQLBUUBP-OAHLLOKOSA-N 0 1 232.371 2.255 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccc(C)cc1OC ZINC000570157158 323051165 /nfs/dbraw/zinc/05/11/65/323051165.db2.gz VKRRABCIYAIZRJ-OCCSQVGLSA-N 0 1 235.327 2.271 20 0 BEADMN O[C@@H]1CCCC[C@H]1CN1CCC=C(F)C1 ZINC000570170432 323051732 /nfs/dbraw/zinc/05/17/32/323051732.db2.gz KPXCJYGYSRUVCG-CMPLNLGQSA-N 0 1 213.296 2.097 20 0 BEADMN CCC1(CC)CCN([C@@H](C)c2nccc(N)n2)C1 ZINC000570289794 323055438 /nfs/dbraw/zinc/05/54/38/323055438.db2.gz PYRGOBVOJGZHAC-NSHDSACASA-N 0 1 248.374 2.462 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCCCC(C)(C)C1 ZINC000570525430 323062092 /nfs/dbraw/zinc/06/20/92/323062092.db2.gz NGEOUXGLECNQFC-LLVKDONJSA-N 0 1 248.374 2.462 20 0 BEADMN C[C@@H](NCc1cc(-c2ccccc2)on1)[C@H](C)O ZINC000562987974 323078194 /nfs/dbraw/zinc/07/81/94/323078194.db2.gz WDBPLEBZJAKIGP-MNOVXSKESA-N 0 1 246.310 2.201 20 0 BEADMN CC(C)c1csc(CN[C@H](C)[C@@H](C)O)n1 ZINC000562995456 323078632 /nfs/dbraw/zinc/07/86/32/323078632.db2.gz CDFXZEFZISSPPK-RKDXNWHRSA-N 0 1 228.361 2.125 20 0 BEADMN CCC[N@@H+](CCC(=O)[O-])CCc1cccs1 ZINC000309658840 323082618 /nfs/dbraw/zinc/08/26/18/323082618.db2.gz FMOUMEIBFNTGJJ-UHFFFAOYSA-N 0 1 241.356 2.477 20 0 BEADMN CCN(CC)CC(=O)N1c2ccccc2C[C@H]1C ZINC000046438232 323096924 /nfs/dbraw/zinc/09/69/24/323096924.db2.gz RUUFHVCDZAKGDZ-GFCCVEGCSA-N 0 1 246.354 2.306 20 0 BEADMN C[C@@H](Nc1nc2cc(F)ccc2o1)c1nnc[nH]1 ZINC000182818826 323097270 /nfs/dbraw/zinc/09/72/70/323097270.db2.gz WNTNFPIPWSTMFQ-ZCFIWIBFSA-N 0 1 247.233 2.258 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000571053417 323105585 /nfs/dbraw/zinc/10/55/85/323105585.db2.gz KKTBQYRRJQCIQH-IJLUTSLNSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000565434103 323107026 /nfs/dbraw/zinc/10/70/26/323107026.db2.gz SVSZOBQJUSYBQL-NQBHXWOUSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000563282075 323108097 /nfs/dbraw/zinc/10/80/97/323108097.db2.gz MNJNAOWZIOCIEH-YPMHNXCESA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1=CCCCC1 ZINC000563289223 323108698 /nfs/dbraw/zinc/10/86/98/323108698.db2.gz QDCSGHOWNRHQJB-JQWIXIFHSA-N 0 1 223.316 2.282 20 0 BEADMN CC(C)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000563290290 323108806 /nfs/dbraw/zinc/10/88/06/323108806.db2.gz WYOBYKMACIDBNI-CHWSQXEVSA-N 0 1 233.311 2.195 20 0 BEADMN Cc1ccc(CC[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000563289929 323108922 /nfs/dbraw/zinc/10/89/22/323108922.db2.gz SENPIZPOKYFHKT-OCCSQVGLSA-N 0 1 247.338 2.333 20 0 BEADMN Cc1ccnc(NC[C@H](CO)Cc2ccco2)c1 ZINC000531588623 323109754 /nfs/dbraw/zinc/10/97/54/323109754.db2.gz OHLRURUTVYSRRV-GFCCVEGCSA-N 0 1 246.310 2.246 20 0 BEADMN CN(Cc1ncc(C2CC2)o1)C1CCOCC1 ZINC000534107470 323113732 /nfs/dbraw/zinc/11/37/32/323113732.db2.gz BDDAWHHHIUJRPA-UHFFFAOYSA-N 0 1 236.315 2.163 20 0 BEADMN CC[C@H]1CN(Cc2ccc3nc[nH]c3c2)CCO1 ZINC000534333378 323116683 /nfs/dbraw/zinc/11/66/83/323116683.db2.gz RFWQFETVYFXCEK-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN c1cnc(CNC2CCC3(CC3)CC2)nc1 ZINC000563442938 323126825 /nfs/dbraw/zinc/12/68/25/323126825.db2.gz NRKOBEYOKSRRRZ-UHFFFAOYSA-N 0 1 217.316 2.289 20 0 BEADMN C[C@@H](F)CC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000571181427 323137782 /nfs/dbraw/zinc/13/77/82/323137782.db2.gz YBYQPTRARJPPJO-SNVBAGLBSA-N 0 1 231.311 2.454 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000571281091 323139959 /nfs/dbraw/zinc/13/99/59/323139959.db2.gz CHYXHAAWEDIRAI-UTUOFQBUSA-N 0 1 236.315 2.155 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cc(C(C)=O)no1 ZINC000571341028 323142046 /nfs/dbraw/zinc/14/20/46/323142046.db2.gz WUJXCJARHQFIPE-RNCFNFMXSA-N 0 1 236.315 2.498 20 0 BEADMN CC1(C)C[C@@H]1N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000571412575 323144136 /nfs/dbraw/zinc/14/41/36/323144136.db2.gz BVMSZFXLQAFGBB-RYUDHWBXSA-N 0 1 242.326 2.282 20 0 BEADMN CCc1ccccc1CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000571570167 323148230 /nfs/dbraw/zinc/14/82/30/323148230.db2.gz ACTWRHKHYKPEGM-LBPRGKRZSA-N 0 1 249.354 2.444 20 0 BEADMN CC[C@H](CSC)N(C)Cc1cnccn1 ZINC000571619824 323149322 /nfs/dbraw/zinc/14/93/22/323149322.db2.gz WQSXOYHNZZIIJO-LLVKDONJSA-N 0 1 225.361 2.050 20 0 BEADMN C[C@H](c1ccc2ccccc2c1)N(C)CC(N)=O ZINC000049236942 323159402 /nfs/dbraw/zinc/15/94/02/323159402.db2.gz POKLMEIFHWFKAX-LLVKDONJSA-N 0 1 242.322 2.318 20 0 BEADMN Cc1nc(NC(=O)CN(C)C(C)C)sc1C ZINC000049398580 323160157 /nfs/dbraw/zinc/16/01/57/323160157.db2.gz BIMBBWDTEWZLAH-UHFFFAOYSA-N 0 1 241.360 2.039 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@H](C2CC2)C1 ZINC000535014115 323162917 /nfs/dbraw/zinc/16/29/17/323162917.db2.gz NMWJOQRMYOQTCB-NSHDSACASA-N 0 1 233.315 2.179 20 0 BEADMN C[C@@H](Cc1ccsc1)[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000308841099 323179995 /nfs/dbraw/zinc/17/99/95/323179995.db2.gz KDLURBOFWRHOEL-IUCAKERBSA-N 0 1 227.329 2.084 20 0 BEADMN Cc1ccccc1NC(=O)CN(C)CC1CC1 ZINC000052128371 323192650 /nfs/dbraw/zinc/19/26/50/323192650.db2.gz YSFCJDBRUJAIBS-UHFFFAOYSA-N 0 1 232.327 2.275 20 0 BEADMN C[C@H](C(N)=O)N(C)Cc1csc2ccccc12 ZINC000052805662 323195530 /nfs/dbraw/zinc/19/55/30/323195530.db2.gz WOCFZJQAVFFXGY-SECBINFHSA-N 0 1 248.351 2.207 20 0 BEADMN Oc1ccc(-c2nc3ccc(F)cc3[nH]2)nc1 ZINC000536158208 323196253 /nfs/dbraw/zinc/19/62/53/323196253.db2.gz QODURGLCQUZIPN-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCn1c(CNC[C@@H](C)OC)nc2ccccc21 ZINC000223985697 323201106 /nfs/dbraw/zinc/20/11/06/323201106.db2.gz HGSIJTXUTMKVLH-LLVKDONJSA-N 0 1 247.342 2.181 20 0 BEADMN CCCC1(C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000532128045 323207173 /nfs/dbraw/zinc/20/71/73/323207173.db2.gz OUEIEIWBBGIZLB-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CCc1cnc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000532313011 323215910 /nfs/dbraw/zinc/21/59/10/323215910.db2.gz CLSVLZFWIHPXLS-PHIMTYICSA-N 0 1 220.316 2.469 20 0 BEADMN COCC(COC)NCc1ccccc1Cl ZINC000395367548 323224254 /nfs/dbraw/zinc/22/42/54/323224254.db2.gz GYCFFBOLQOKRPT-UHFFFAOYSA-N 0 1 243.734 2.091 20 0 BEADMN COCCC[C@@H](C)N[C@@H](C)C(C)(F)F ZINC000395392147 323225649 /nfs/dbraw/zinc/22/56/49/323225649.db2.gz ALDCUBKCOJJYBZ-BDAKNGLRSA-N 0 1 209.280 2.435 20 0 BEADMN CCCN(Cc1ccno1)C[C@H]1CCCCO1 ZINC000532714440 323291579 /nfs/dbraw/zinc/29/15/79/323291579.db2.gz NZWSPXLACFTMDW-GFCCVEGCSA-N 0 1 238.331 2.456 20 0 BEADMN CC/C=C/CCN[C@H](C)c1nnc(C)o1 ZINC000309089109 323315386 /nfs/dbraw/zinc/31/53/86/323315386.db2.gz BNWIKUWZOWQOHA-VUHVRTRXSA-N 0 1 209.293 2.385 20 0 BEADMN CN(Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000153794750 323321765 /nfs/dbraw/zinc/32/17/65/323321765.db2.gz ZIIGTHMHMJJKEE-OAHLLOKOSA-N 0 1 223.341 2.018 20 0 BEADMN CC1(C[N@H+]2CCCC[C@H]2C(=O)[O-])CCC1 ZINC000307628807 323329877 /nfs/dbraw/zinc/32/98/77/323329877.db2.gz UWGDIXYNEWHHEU-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CCC1(C)C ZINC000309277630 323338978 /nfs/dbraw/zinc/33/89/78/323338978.db2.gz HEBWDOSUOXLGLK-JTQLQIEISA-N 0 1 222.336 2.137 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccccc1OC ZINC000527783169 323689641 /nfs/dbraw/zinc/68/96/41/323689641.db2.gz GZSZYJLNGRQCDV-KGLIPLIRSA-N 0 1 235.327 2.352 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncccc1F)[C@H]1CCCO1 ZINC000528035071 323742682 /nfs/dbraw/zinc/74/26/82/323742682.db2.gz DPDMMPQCZQLIMC-JFGNBEQYSA-N 0 1 238.306 2.439 20 0 BEADMN CCCc1nsc(NCC2CC=CC2)n1 ZINC000528115991 323767206 /nfs/dbraw/zinc/76/72/06/323767206.db2.gz RBBPFNPXJJVROA-UHFFFAOYSA-N 0 1 223.345 2.291 20 0 BEADMN COC[C@@H](N[C@@H]1CCSC1)c1ccc(C)o1 ZINC000122292288 324034052 /nfs/dbraw/zinc/03/40/52/324034052.db2.gz GNMAWHNUOBQOGM-GHMZBOCLSA-N 0 1 241.356 2.371 20 0 BEADMN COC[C@H](NCc1ncc(C)s1)C(C)C ZINC000122992097 324071414 /nfs/dbraw/zinc/07/14/14/324071414.db2.gz GGEQYFTZJTXFKY-JTQLQIEISA-N 0 1 228.361 2.212 20 0 BEADMN CC[C@H](NCCOC(C)(C)C)c1nccn1C ZINC000537423512 324071627 /nfs/dbraw/zinc/07/16/27/324071627.db2.gz WITDQLYUARUWTC-NSHDSACASA-N 0 1 239.363 2.276 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000537466017 324074593 /nfs/dbraw/zinc/07/45/93/324074593.db2.gz UDMPEBUTIURPEW-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@H](NCC(F)F)C[C@H]1C ZINC000459539611 324147794 /nfs/dbraw/zinc/14/77/94/324147794.db2.gz CDTOQWPHPLCVHQ-KXUCPTDWSA-N 0 1 249.301 2.209 20 0 BEADMN CC[C@H]1CCCCCN1Cc1ncnn1CC ZINC000193355323 324201255 /nfs/dbraw/zinc/20/12/55/324201255.db2.gz NJFPBWRHFFJJDX-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN NC(=O)c1cccc(CNCc2cccs2)c1 ZINC000037117725 324296931 /nfs/dbraw/zinc/29/69/31/324296931.db2.gz DOTONQGGNAQMGC-UHFFFAOYSA-N 0 1 246.335 2.137 20 0 BEADMN CC[C@@H](NC[C@@H](OC)C(C)C)c1ccn(C)n1 ZINC000542678014 325041579 /nfs/dbraw/zinc/04/15/79/325041579.db2.gz ORXVBLKMIUZVPA-DGCLKSJQSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1ccc(CN2CCN(C(C)C)CC2)o1 ZINC000131134845 325121014 /nfs/dbraw/zinc/12/10/14/325121014.db2.gz MCXVBUBLUYGWEQ-UHFFFAOYSA-N 0 1 222.332 2.114 20 0 BEADMN Cc1cnc(CN(C(C)C)C2CCOCC2)o1 ZINC000072685518 325166207 /nfs/dbraw/zinc/16/62/07/325166207.db2.gz UZNUSKGVRQZVMJ-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN CN(C)CC(=O)NCC(C)(C)C1CCCCC1 ZINC000132155209 325201963 /nfs/dbraw/zinc/20/19/63/325201963.db2.gz HUVMZMPTZZVFLQ-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN Cc1nc(CN2CCC[C@@]2(C)CO)sc1C ZINC000545398073 325219447 /nfs/dbraw/zinc/21/94/47/325219447.db2.gz VRNNPYZELAWBSR-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN CCc1ccc(O)c(NC(=O)c2cn[nH]c2C)c1 ZINC000074825946 325263318 /nfs/dbraw/zinc/26/33/18/325263318.db2.gz REVJCNGHWFTVAB-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN C[C@H]1CC[N@H+](Cc2ncccc2[O-])CCS1 ZINC000564305727 325295334 /nfs/dbraw/zinc/29/53/34/325295334.db2.gz YSMYDUIZAFSSFU-JTQLQIEISA-N 0 1 238.356 2.115 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CCC(C)(C)C1 ZINC000076014465 325325332 /nfs/dbraw/zinc/32/53/32/325325332.db2.gz LLLSLUKQALQBQF-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN CCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000547141748 325327255 /nfs/dbraw/zinc/32/72/55/325327255.db2.gz GQHBQQCKDVDCIT-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)C1CC1 ZINC000076940875 325360141 /nfs/dbraw/zinc/36/01/41/325360141.db2.gz DYDYACUCECRLLV-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN CN(C)C1CN(C(=O)CC2CCCCCC2)C1 ZINC000134940378 325383731 /nfs/dbraw/zinc/38/37/31/325383731.db2.gz ORIGYBGEUKEQET-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@@H]1CCc2ccccc2NC1=O ZINC000547769371 325394910 /nfs/dbraw/zinc/39/49/10/325394910.db2.gz LKZASXVBFGXZCB-JTNHKYCSSA-N 0 1 244.338 2.423 20 0 BEADMN COC(=O)c1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000548426282 325456998 /nfs/dbraw/zinc/45/69/98/325456998.db2.gz JVYDBLGYCOUVNT-QWRGUYRKSA-N 0 1 233.311 2.456 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1cnccn1)c1cscn1 ZINC000551999934 325582060 /nfs/dbraw/zinc/58/20/60/325582060.db2.gz OUOZSHSUJOQJLH-VHSXEESVSA-N 0 1 248.355 2.215 20 0 BEADMN Fc1cncc(CN2C3CCC2CC3)c1 ZINC000553863741 325700510 /nfs/dbraw/zinc/70/05/10/325700510.db2.gz DEZAZMDHEIXSRG-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN Cc1noc([C@@H](C)NC[C@H]2Cc3ccccc32)n1 ZINC000553910170 325701224 /nfs/dbraw/zinc/70/12/24/325701224.db2.gz GCHKZSFSRCBVFR-BXKDBHETSA-N 0 1 243.310 2.369 20 0 BEADMN CC(C)c1nnc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000153121505 325904788 /nfs/dbraw/zinc/90/47/88/325904788.db2.gz NJDKKMYCYNATEG-GHMZBOCLSA-N 0 1 235.331 2.425 20 0 BEADMN C(c1nc(C2CC2)no1)N1C[C@@H]2CCC[C@H]2C1 ZINC000153269714 325934484 /nfs/dbraw/zinc/93/44/84/325934484.db2.gz FJYAMENSJMLGRX-QWRGUYRKSA-N 0 1 233.315 2.179 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccncc1F ZINC000566068182 325990121 /nfs/dbraw/zinc/99/01/21/325990121.db2.gz WYBOPJMTDBZDGU-UTLUCORTSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccncc1F ZINC000566068181 325990155 /nfs/dbraw/zinc/99/01/55/325990155.db2.gz WYBOPJMTDBZDGU-OPRDCNLKSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@H](C[N@@H+](C)CC12CCC(CC1)C2)C(=O)[O-] ZINC000566357860 326035987 /nfs/dbraw/zinc/03/59/87/326035987.db2.gz OLHZGYCWANOJRA-XSRFYTQQSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1CC1(C(=O)[O-])CC1 ZINC000566361775 326036745 /nfs/dbraw/zinc/03/67/45/326036745.db2.gz NFYDDFCTJWBMSO-VHSXEESVSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC=CCC1 ZINC000566407280 326040868 /nfs/dbraw/zinc/04/08/68/326040868.db2.gz QOYOZQIWEHSKSH-OCCSQVGLSA-N 0 1 244.338 2.220 20 0 BEADMN CC(=O)c1cc(CN(C)[C@H]2CC[C@@H](C)C2)on1 ZINC000566417352 326042525 /nfs/dbraw/zinc/04/25/25/326042525.db2.gz XOXFBGCSQQYIRU-KOLCDFICSA-N 0 1 236.315 2.498 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566467583 326052313 /nfs/dbraw/zinc/05/23/13/326052313.db2.gz VUWPBZJMOGYFCQ-NQBHXWOUSA-N 0 1 249.358 2.139 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H]2c2ccco2)[nH]c1C ZINC000566498982 326059170 /nfs/dbraw/zinc/05/91/70/326059170.db2.gz KZCGSPYOYJGOIE-GHMZBOCLSA-N 0 1 231.299 2.265 20 0 BEADMN NC1(c2noc(CNc3ccccc3)n2)CCC1 ZINC000566560896 326064257 /nfs/dbraw/zinc/06/42/57/326064257.db2.gz HYWAOQDNXDJQKZ-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566625626 326069363 /nfs/dbraw/zinc/06/93/63/326069363.db2.gz CYYGQHKEGNLZAA-UHIISALHSA-N 0 1 248.326 2.185 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCc2ccc(Cl)cc21 ZINC000566625091 326069493 /nfs/dbraw/zinc/06/94/93/326069493.db2.gz IBILPVPIUCXHQQ-NSHDSACASA-N 0 1 239.702 2.344 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCc2ccc(Cl)cc21 ZINC000566625088 326069573 /nfs/dbraw/zinc/06/95/73/326069573.db2.gz IBILPVPIUCXHQQ-LLVKDONJSA-N 0 1 239.702 2.344 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1[C@H](C(=O)[O-])c1cccnc1 ZINC000566920119 326094565 /nfs/dbraw/zinc/09/45/65/326094565.db2.gz HKOSNXBDNCQSSC-PWSUYJOCSA-N 0 1 248.326 2.328 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C1 ZINC000566979315 326099338 /nfs/dbraw/zinc/09/93/38/326099338.db2.gz SNIIJQMWDFBBQG-MFKMUULPSA-N 0 1 233.311 2.463 20 0 BEADMN c1cnc(CN[C@H]2CC[C@@H]2C2CCC2)nc1 ZINC000566984639 326100016 /nfs/dbraw/zinc/10/00/16/326100016.db2.gz OMOOLBMHJZKAAM-NEPJUHHUSA-N 0 1 217.316 2.145 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153762743 326112099 /nfs/dbraw/zinc/11/20/99/326112099.db2.gz NJNDBQFKPADXFZ-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCCN(CC(=O)OC(C)(C)C)C(C)C ZINC000153923981 326120913 /nfs/dbraw/zinc/12/09/13/326120913.db2.gz ORMGEMLHZLLEGZ-UHFFFAOYSA-N 0 1 215.337 2.449 20 0 BEADMN CCCCCC(=O)N1CCN(C)C[C@@H]1CC ZINC000567192526 326133359 /nfs/dbraw/zinc/13/33/59/326133359.db2.gz CUIHTCQBUWTNNJ-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@@H](C)C2)n1C1CC1 ZINC000154669518 326156218 /nfs/dbraw/zinc/15/62/18/326156218.db2.gz AETQVEHKRMPTBT-GHMZBOCLSA-N 0 1 248.374 2.399 20 0 BEADMN CCC[C@H](C)CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155674986 326206966 /nfs/dbraw/zinc/20/69/66/326206966.db2.gz QIXLTWLUTJECID-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)[C@H]1CCCN1Cc1nncn1C ZINC000156906262 326248191 /nfs/dbraw/zinc/24/81/91/326248191.db2.gz YEIBWWFYFVBMOH-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN CS[C@H]1CC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000567722378 326250260 /nfs/dbraw/zinc/25/02/60/326250260.db2.gz CWZSRNXUYLNGND-ONGXEEELSA-N 0 1 234.328 2.264 20 0 BEADMN CS[C@H]1CC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000567722378 326250261 /nfs/dbraw/zinc/25/02/61/326250261.db2.gz CWZSRNXUYLNGND-ONGXEEELSA-N 0 1 234.328 2.264 20 0 BEADMN CCCN1CCN(Cc2ccc(CC)o2)CC1 ZINC000156964681 326250712 /nfs/dbraw/zinc/25/07/12/326250712.db2.gz TUVXCBQNXTYBJR-UHFFFAOYSA-N 0 1 236.359 2.370 20 0 BEADMN CS[C@@H]1CC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000567722375 326250975 /nfs/dbraw/zinc/25/09/75/326250975.db2.gz CWZSRNXUYLNGND-GXSJLCMTSA-N 0 1 234.328 2.264 20 0 BEADMN CS[C@@H]1CC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000567722375 326250977 /nfs/dbraw/zinc/25/09/77/326250977.db2.gz CWZSRNXUYLNGND-GXSJLCMTSA-N 0 1 234.328 2.264 20 0 BEADMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000567742465 326254095 /nfs/dbraw/zinc/25/40/95/326254095.db2.gz HOTQDYVSOAIWSG-UHFFFAOYSA-N 0 1 223.272 2.351 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1nc(C2CC2)nn1C ZINC000567760176 326255841 /nfs/dbraw/zinc/25/58/41/326255841.db2.gz NGGHBYPXORPODN-LBPRGKRZSA-N 0 1 248.374 2.313 20 0 BEADMN c1cc(CCN2CCOC[C@@H]2C2CCC2)ccn1 ZINC000567812431 326261379 /nfs/dbraw/zinc/26/13/79/326261379.db2.gz YAXLTRUILSAJQL-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CC(C)(C)CCCNC(=O)c1ccnc(CN)c1 ZINC000313441304 326266774 /nfs/dbraw/zinc/26/67/74/326266774.db2.gz HFRITVCQZKBIRH-UHFFFAOYSA-N 0 1 249.358 2.096 20 0 BEADMN CO[C@]1(C)C[C@H](N(C)Cc2cnccn2)C1(C)C ZINC000568017213 326296795 /nfs/dbraw/zinc/29/67/95/326296795.db2.gz WVEGAEPLVAGBDA-GXTWGEPZSA-N 0 1 249.358 2.112 20 0 BEADMN COC(=O)CC1(NCc2ccc(Cl)o2)CC1 ZINC000568036550 326298900 /nfs/dbraw/zinc/29/89/00/326298900.db2.gz GOOJJNKJQLKJAV-UHFFFAOYSA-N 0 1 243.690 2.118 20 0 BEADMN CCSCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000568063391 326302408 /nfs/dbraw/zinc/30/24/08/326302408.db2.gz FESFAECTCKVHRA-JTQLQIEISA-N 0 1 233.377 2.171 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)[C@H](C)N1CC(C)C1 ZINC000568105469 326309262 /nfs/dbraw/zinc/30/92/62/326309262.db2.gz VIWAMKUGIQYMFU-YPMHNXCESA-N 0 1 240.391 2.221 20 0 BEADMN CCOC[C@@H](NCc1nc(C)c(C)[nH]1)C(C)C ZINC000568269244 326338062 /nfs/dbraw/zinc/33/80/62/326338062.db2.gz DHBSUEDKSGQLCO-GFCCVEGCSA-N 0 1 239.363 2.177 20 0 BEADMN Cc1cc(C)n2c(C[N@H+](C)C(C)C)cnc2n1 ZINC000158720984 326340466 /nfs/dbraw/zinc/34/04/66/326340466.db2.gz HYGRZHKGYMSKMO-UHFFFAOYSA-N 0 1 232.331 2.186 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)C1=CCCCC1 ZINC000568552094 326364659 /nfs/dbraw/zinc/36/46/59/326364659.db2.gz YWSSGBQDYLDYQF-CYBMUJFWSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCC1=CCCC1 ZINC000568880513 326380937 /nfs/dbraw/zinc/38/09/37/326380937.db2.gz LMMKMMSCEISFAN-NSHDSACASA-N 0 1 247.342 2.205 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000568991434 326385291 /nfs/dbraw/zinc/38/52/91/326385291.db2.gz UFOQXDSYGZDGBS-STQMWFEESA-N 0 1 248.326 2.124 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)[C@H](C)N1CC(C)C1 ZINC000569018648 326386904 /nfs/dbraw/zinc/38/69/04/326386904.db2.gz BYGDOFCOOGOAKB-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H]2CCC2(C)C)n1 ZINC000569117532 326391474 /nfs/dbraw/zinc/39/14/74/326391474.db2.gz PPVQIIZHBJVNRS-JTQLQIEISA-N 0 1 235.331 2.023 20 0 BEADMN COCC1(NCc2nc(C)c(C)[nH]2)CCCC1 ZINC000573138542 326431893 /nfs/dbraw/zinc/43/18/93/326431893.db2.gz NKKNMIIVIIUILQ-UHFFFAOYSA-N 0 1 237.347 2.075 20 0 BEADMN CCCc1occc1C(=O)NCc1cc(C)[nH]n1 ZINC000684970391 487979288 /nfs/dbraw/zinc/97/92/88/487979288.db2.gz YMHLMROWFDFOBN-UHFFFAOYSA-N 0 1 247.298 2.194 20 0 BEADMN CCN1CCN(c2cc(C(C)C)ncn2)C[C@@H]1C ZINC000677152680 487984147 /nfs/dbraw/zinc/98/41/47/487984147.db2.gz IOXRSFZLEGCYHN-LBPRGKRZSA-N 0 1 248.374 2.130 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000666033758 487990585 /nfs/dbraw/zinc/99/05/85/487990585.db2.gz TWXGHCPIBJIETL-AWEZNQCLSA-N 0 1 247.342 2.471 20 0 BEADMN CCN1CCN(C(=O)c2ccccc2C)C[C@H]1C ZINC000677177424 487990976 /nfs/dbraw/zinc/99/09/76/487990976.db2.gz NIZGWSMPTKSYAX-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CCN1CCN(C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000677177824 487991950 /nfs/dbraw/zinc/99/19/50/487991950.db2.gz WUIQGEHVWPEWQO-CYBMUJFWSA-N 0 1 246.354 2.161 20 0 BEADMN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC000668604160 487996796 /nfs/dbraw/zinc/99/67/96/487996796.db2.gz QGFPUYGKSYELAQ-DGCLKSJQSA-N 0 1 248.374 2.239 20 0 BEADMN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1cn(C)nn1 ZINC000668604056 487997518 /nfs/dbraw/zinc/99/75/18/487997518.db2.gz NYUIRVCTZTUXJQ-OCCSQVGLSA-N 0 1 248.374 2.239 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccncc1Cl ZINC000084085760 487998832 /nfs/dbraw/zinc/99/88/32/487998832.db2.gz IKNKBHPTIPQIJV-SNVBAGLBSA-N 0 1 242.706 2.030 20 0 BEADMN Cc1ccc(CC2CN(Cc3cn[nH]c3)C2)cc1 ZINC000668608448 488000972 /nfs/dbraw/zinc/00/09/72/488000972.db2.gz QINGNSSSGUITEC-UHFFFAOYSA-N 0 1 241.338 2.393 20 0 BEADMN CCN(C#N)CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000602917090 488002710 /nfs/dbraw/zinc/00/27/10/488002710.db2.gz RMDCKXNTZAXMLG-GHMZBOCLSA-N 0 1 245.317 2.012 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1cscc1Cl ZINC000682645079 488005772 /nfs/dbraw/zinc/00/57/72/488005772.db2.gz UVAUHJRPDQJRLO-IONNQARKSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1cscc1Cl ZINC000682645082 488005996 /nfs/dbraw/zinc/00/59/96/488005996.db2.gz UVAUHJRPDQJRLO-VXNVDRBHSA-N 0 1 231.748 2.357 20 0 BEADMN CC[C@@H]1COCCN1CCOCc1ccccc1 ZINC000659932829 488006792 /nfs/dbraw/zinc/00/67/92/488006792.db2.gz OIIQDFUKKQEFAS-OAHLLOKOSA-N 0 1 249.354 2.314 20 0 BEADMN CC[C@@H](O)CN[C@H](C)c1nc(C)sc1C ZINC000229966313 488016668 /nfs/dbraw/zinc/01/66/68/488016668.db2.gz PVYLZDKJDRLMGR-GMSGAONNSA-N 0 1 228.361 2.181 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2ccn(C)c21)N(C)C ZINC000682688965 488017214 /nfs/dbraw/zinc/01/72/14/488017214.db2.gz YEQCUMSGYZDMEE-JTQLQIEISA-N 0 1 245.326 2.067 20 0 BEADMN C[C@H]1SCC[C@@H]1NCc1cscn1 ZINC000220647591 490073925 /nfs/dbraw/zinc/07/39/25/490073925.db2.gz KEKMSZHFCWYVAL-APPZFPTMSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cn(C3CCC3)nn2)C1 ZINC000667472944 488018384 /nfs/dbraw/zinc/01/83/84/488018384.db2.gz XDXTYNKHWRUCLH-RYUDHWBXSA-N 0 1 248.374 2.481 20 0 BEADMN C[C@H](NC(=O)C1(N(C)C)CC1)C1CCCCC1 ZINC000669136008 488024140 /nfs/dbraw/zinc/02/41/40/488024140.db2.gz OSCPLFOCWABKMX-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CC1=CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000677380356 488026721 /nfs/dbraw/zinc/02/67/21/488026721.db2.gz YPURIXSZKSHPIX-CYBMUJFWSA-N 0 1 245.322 2.478 20 0 BEADMN COCc1csc(CN2CCSCC2)c1 ZINC000667495728 488029195 /nfs/dbraw/zinc/02/91/95/488029195.db2.gz WXNLXOIFGIWTRV-UHFFFAOYSA-N 0 1 243.397 2.443 20 0 BEADMN CC[C@@H](NC)c1nc(-c2cccs2)no1 ZINC000044625692 488029638 /nfs/dbraw/zinc/02/96/38/488029638.db2.gz INQKMAHZQIBGNJ-SSDOTTSWSA-N 0 1 223.301 2.469 20 0 BEADMN CCCCNC(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000035206473 488033123 /nfs/dbraw/zinc/03/31/23/488033123.db2.gz KTWWIRKJGCQJFZ-RYUDHWBXSA-N 0 1 249.358 2.037 20 0 BEADMN C[C@H]1CC[C@H](CN2CC3(C2)CC(F)(F)C3)O1 ZINC000682767550 488033938 /nfs/dbraw/zinc/03/39/38/488033938.db2.gz ADCIVMBSQXCHGR-VHSXEESVSA-N 0 1 231.286 2.285 20 0 BEADMN CC[C@@H](NCc1nc(C2CC2)no1)C1CC1 ZINC000661757189 488035963 /nfs/dbraw/zinc/03/59/63/488035963.db2.gz FSSBLCCDDQHTNF-SNVBAGLBSA-N 0 1 221.304 2.225 20 0 BEADMN CCCc1noc(CN[C@H](CC)C2CC2)n1 ZINC000661757720 488036169 /nfs/dbraw/zinc/03/61/69/488036169.db2.gz LTRMHSQQCGAHCR-SNVBAGLBSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1cnc(CN[C@@H](C)Cc2ccncc2)o1 ZINC000682780687 488041255 /nfs/dbraw/zinc/04/12/55/488041255.db2.gz KWIVGWSNITUMCM-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365206983 488052403 /nfs/dbraw/zinc/05/24/03/488052403.db2.gz ZPWHVVQIOUCLHS-OCCSQVGLSA-N 0 1 249.358 2.121 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000682852975 488054156 /nfs/dbraw/zinc/05/41/56/488054156.db2.gz KQUCLTBCBPFMLQ-VXGBXAGGSA-N 0 1 237.274 2.436 20 0 BEADMN CN(C)C1(C(=O)N2CCCC(C)(C)CC2)CC1 ZINC000669188692 488060562 /nfs/dbraw/zinc/06/05/62/488060562.db2.gz DKLDZHZJTUATRI-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)[C@@H](C(=O)[O-])C1CC1 ZINC000223328767 488069598 /nfs/dbraw/zinc/06/95/98/488069598.db2.gz MQMBPRQKMUWJNM-MWLCHTKSSA-N 0 1 213.321 2.218 20 0 BEADMN CO[C@H](CN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000670084237 488071164 /nfs/dbraw/zinc/07/11/64/488071164.db2.gz FWQNXRRMFMLEOX-CQSZACIVSA-N 0 1 245.326 2.229 20 0 BEADMN COc1cccc(CN[C@@H]2CO[C@@H](C)C2)c1F ZINC000402184057 488072061 /nfs/dbraw/zinc/07/20/61/488072061.db2.gz BRFOLJKROPLSDT-ONGXEEELSA-N 0 1 239.290 2.101 20 0 BEADMN CCn1nccc1CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000670085403 488074266 /nfs/dbraw/zinc/07/42/66/488074266.db2.gz YPHJHSKUICZTDI-AAEUAGOBSA-N 0 1 239.338 2.125 20 0 BEADMN CCn1nccc1CCN1CC[C@H](C)[C@@H](F)C1 ZINC000670085403 488074271 /nfs/dbraw/zinc/07/42/71/488074271.db2.gz YPHJHSKUICZTDI-AAEUAGOBSA-N 0 1 239.338 2.125 20 0 BEADMN c1ccc2c(CN[C@@H]3CCCOC3)noc2c1 ZINC000515433619 488075078 /nfs/dbraw/zinc/07/50/78/488075078.db2.gz VRNVYEJQHFPSEE-SNVBAGLBSA-N 0 1 232.283 2.096 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cccc(C)c1O ZINC000677597309 488082485 /nfs/dbraw/zinc/08/24/85/488082485.db2.gz CJPABJMRPCESMY-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCN(Cc1cc(C)ccn1)C[C@H]1CCCO1 ZINC000683005867 488086492 /nfs/dbraw/zinc/08/64/92/488086492.db2.gz GLRCDQMNKQPVOM-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccnc(CN2CCS[C@H](C)C2)c1 ZINC000683007067 488087273 /nfs/dbraw/zinc/08/72/73/488087273.db2.gz NYAOBBIFUIJEPK-LLVKDONJSA-N 0 1 222.357 2.327 20 0 BEADMN C[C@@H]([N@@H+](C)Cc1cnn2c1CCC2)C1(C)CC1 ZINC000667696088 488090582 /nfs/dbraw/zinc/09/05/82/488090582.db2.gz KLZNCZJFTPYHLU-LLVKDONJSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000680346770 488098139 /nfs/dbraw/zinc/09/81/39/488098139.db2.gz RJRRVBLSLUIORI-KCJUWKMLSA-N 0 1 242.282 2.066 20 0 BEADMN COCC1=CCN(Cc2cc(C)ccn2)CC1 ZINC000683024370 488098957 /nfs/dbraw/zinc/09/89/57/488098957.db2.gz LAYOOQUEBWZEHN-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC(C)(C)C2)[nH]1 ZINC000670100213 488102102 /nfs/dbraw/zinc/10/21/02/488102102.db2.gz ARPZRSZRYFIXIL-UHFFFAOYSA-N 0 1 243.310 2.353 20 0 BEADMN COCC1(N(C)CCC(F)(F)F)CC1 ZINC000677728957 488107180 /nfs/dbraw/zinc/10/71/80/488107180.db2.gz QEHJZPCXNGLBOR-UHFFFAOYSA-N 0 1 211.227 2.050 20 0 BEADMN CCc1nocc1CN(C(C)C)[C@H]1CCOC1 ZINC000660597720 488109717 /nfs/dbraw/zinc/10/97/17/488109717.db2.gz SPLXGCNUCSLBSC-LBPRGKRZSA-N 0 1 238.331 2.236 20 0 BEADMN FC1(F)CC2(CN(C[C@H]3CCCCO3)C2)C1 ZINC000677732316 488109423 /nfs/dbraw/zinc/10/94/23/488109423.db2.gz IAFSDOGLIWLVPQ-SNVBAGLBSA-N 0 1 231.286 2.287 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403174559 488116998 /nfs/dbraw/zinc/11/69/98/488116998.db2.gz DRCGCUFKBRSBOH-FRRDWIJNSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)OC(=O)CC[C@@H](C)N1C[C@@H](C)[C@@H](F)C1 ZINC001172755239 974928582 /nfs/dbraw/zinc/92/85/82/974928582.db2.gz NIAFZCNFTQZHSF-UTUOFQBUSA-N 0 1 245.338 2.397 20 0 BEADMN C[C@@H](O)C1(NCc2cc(F)c(F)cc2F)CC1 ZINC000668697106 488126839 /nfs/dbraw/zinc/12/68/39/488126839.db2.gz AGNURBXCLVZAIG-SSDOTTSWSA-N 0 1 245.244 2.107 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000148724088 488133644 /nfs/dbraw/zinc/13/36/44/488133644.db2.gz MLHGEJITKXDZQY-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000162104412 487538295 /nfs/dbraw/zinc/53/82/95/487538295.db2.gz PVQCLQXIUQTZQL-NSHDSACASA-N 0 1 225.332 2.219 20 0 BEADMN O=c1[nH]c2ccc(CNCc3ccco3)cc2[nH]1 ZINC000680134958 487538554 /nfs/dbraw/zinc/53/85/54/487538554.db2.gz OYUJJZUKZPJFTA-UHFFFAOYSA-N 0 1 243.266 2.151 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000086728972 487539524 /nfs/dbraw/zinc/53/95/24/487539524.db2.gz PFOYESCPLHMVAP-JSGCOSHPSA-N 0 1 245.322 2.471 20 0 BEADMN CCCN(CC1CC1)C(=O)c1ccc(CN)o1 ZINC000094565507 487542370 /nfs/dbraw/zinc/54/23/70/487542370.db2.gz WOZBZLYHDMWFKT-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)C ZINC000674266372 487542859 /nfs/dbraw/zinc/54/28/59/487542859.db2.gz RSYCSPURQNIHJE-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN CC[C@@H](C)CCCCC(=O)NCc1nnc[nH]1 ZINC000680189312 487543491 /nfs/dbraw/zinc/54/34/91/487543491.db2.gz PQDZSPNTHDQGIX-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN CCc1nc(S[C@@H]2C[C@H](C)CCC2=O)n[nH]1 ZINC000334624161 487529944 /nfs/dbraw/zinc/52/99/44/487529944.db2.gz OOMNNSVOOOWLPA-VXNVDRBHSA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@@H]2C[C@H](C)CCC2=O)n1 ZINC000334624161 487529950 /nfs/dbraw/zinc/52/99/50/487529950.db2.gz OOMNNSVOOOWLPA-VXNVDRBHSA-N 0 1 239.344 2.217 20 0 BEADMN CC1=C[C@@H](C)C[C@@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668791741 487545712 /nfs/dbraw/zinc/54/57/12/487545712.db2.gz XRWMIYJGQQSKBZ-ZYHUDNBSSA-N 0 1 246.358 2.155 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)c2ccccc2)n[nH]1 ZINC000680196777 487546239 /nfs/dbraw/zinc/54/62/39/487546239.db2.gz CQLTUDZSSLQZOD-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@H]1C(=O)[O-])C(C)(C)C ZINC000308833149 487547134 /nfs/dbraw/zinc/54/71/34/487547134.db2.gz UZACEJFWGGMEMP-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CCO[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000685565327 487547426 /nfs/dbraw/zinc/54/74/26/487547426.db2.gz GDJLENPIBPIZCR-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N(C)C ZINC000674289118 487549703 /nfs/dbraw/zinc/54/97/03/487549703.db2.gz VTNHSVXCUWFXDM-WUHRBBMRSA-N 0 1 238.375 2.022 20 0 BEADMN CCC(CC)(CC)NC(=O)[C@H](C)N(C)C ZINC000674288854 487549753 /nfs/dbraw/zinc/54/97/53/487549753.db2.gz NMIDUXITFJXMNH-JTQLQIEISA-N 0 1 214.353 2.022 20 0 BEADMN C[C@@H](C(=O)NCC[C@H]1CCCC[C@@H]1C)N(C)C ZINC000674288394 487549799 /nfs/dbraw/zinc/54/97/99/487549799.db2.gz DOXFEJGMAKVOGS-RWMBFGLXSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)CN(CC(C)C)C(=O)[C@H](C)N(C)C ZINC000674289978 487551750 /nfs/dbraw/zinc/55/17/50/487551750.db2.gz ZUJGYQPAMMCCTI-LBPRGKRZSA-N 0 1 228.380 2.077 20 0 BEADMN COCC1(N(C)Cc2cccnc2C)CC1 ZINC000685570252 487551690 /nfs/dbraw/zinc/55/16/90/487551690.db2.gz TXJJMSSHBREYLK-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CN(C)c1ccnc(NC(=O)C2CC=CC2)c1 ZINC000680257350 487553574 /nfs/dbraw/zinc/55/35/74/487553574.db2.gz STFWKTPXGWFFQL-UHFFFAOYSA-N 0 1 231.299 2.052 20 0 BEADMN C[C@@H](C(=O)NCCC1CCCCC1)N(C)C ZINC000674245200 487533771 /nfs/dbraw/zinc/53/37/71/487533771.db2.gz HNCBMZZHWFXJOK-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CC)C(=O)CN[C@H](C)c1ccsc1 ZINC000061363518 487473143 /nfs/dbraw/zinc/47/31/43/487473143.db2.gz DLJXJGPSVFLFMZ-SNVBAGLBSA-N 0 1 240.372 2.267 20 0 BEADMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)NC1CC1 ZINC000061363253 487473201 /nfs/dbraw/zinc/47/32/01/487473201.db2.gz ILHGRILJUWXACQ-IUCAKERBSA-N 0 1 238.356 2.066 20 0 BEADMN NCc1nccn1CCSc1ccccc1 ZINC000086100531 487482410 /nfs/dbraw/zinc/48/24/10/487482410.db2.gz YTYWXEICFFXQLG-UHFFFAOYSA-N 0 1 233.340 2.134 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000668223757 487478732 /nfs/dbraw/zinc/47/87/32/487478732.db2.gz RTIDNFKKSPAACS-CYZMBNFOSA-N 0 1 249.358 2.121 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453207856 487486604 /nfs/dbraw/zinc/48/66/04/487486604.db2.gz BPVMUBYGKKDJSJ-UMSGYPCISA-N 0 1 249.358 2.436 20 0 BEADMN c1cc(CCCN2CCc3c[nH]nc3C2)cs1 ZINC000679929256 487492788 /nfs/dbraw/zinc/49/27/88/487492788.db2.gz ADHUJAFKQLQBEA-UHFFFAOYSA-N 0 1 247.367 2.462 20 0 BEADMN C[C@@H](NCc1cn[nH]c1)c1ccsc1 ZINC000050344153 487497101 /nfs/dbraw/zinc/49/71/01/487497101.db2.gz XRHTWVBQFNJWGV-MRVPVSSYSA-N 0 1 207.302 2.322 20 0 BEADMN CO[C@@H]1CCCN(Cc2ncc(C)s2)CC1 ZINC000679953980 487503952 /nfs/dbraw/zinc/50/39/52/487503952.db2.gz NUZZLTKPYONPEV-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCc2c[nH]nc2C1 ZINC000679990623 487511445 /nfs/dbraw/zinc/51/14/45/487511445.db2.gz WXWFLYPSGNXZOQ-JTQLQIEISA-N 0 1 247.367 2.461 20 0 BEADMN CO[C@H]1C[C@@H](NCc2nc(C)oc2C)C1(C)C ZINC000660699771 487517716 /nfs/dbraw/zinc/51/77/16/487517716.db2.gz HUMOPIGUVKMMBT-NEPJUHHUSA-N 0 1 238.331 2.195 20 0 BEADMN O=C([O-])CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000680018748 487519187 /nfs/dbraw/zinc/51/91/87/487519187.db2.gz MPHOQPWJXIYLBA-CYBMUJFWSA-N 0 1 249.310 2.394 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC3(CC3)C2)[nH]1 ZINC000334532053 487520319 /nfs/dbraw/zinc/52/03/19/487520319.db2.gz OHKKKPGANHTBDS-UHFFFAOYSA-N 0 1 241.294 2.107 20 0 BEADMN CO[C@]1(C)C[C@H](NCc2coc(C)n2)C1(C)C ZINC000660701632 487522618 /nfs/dbraw/zinc/52/26/18/487522618.db2.gz UBKZBJOKMRHEOP-WCQYABFASA-N 0 1 238.331 2.276 20 0 BEADMN c1nc(CN[C@@H]2CC[C@H]2C2CCC2)co1 ZINC000308819504 487522763 /nfs/dbraw/zinc/52/27/63/487522763.db2.gz BNCZUJDSORUCNU-NWDGAFQWSA-N 0 1 206.289 2.343 20 0 BEADMN CN1CC[C@@H](NCC(F)F)[C@H]1c1ccccc1 ZINC000685582118 487558412 /nfs/dbraw/zinc/55/84/12/487558412.db2.gz TVFQODIUXXAQNC-DGCLKSJQSA-N 0 1 240.297 2.287 20 0 BEADMN Cc1c[nH]nc1CN[C@@H](c1cccnc1)C1CC1 ZINC000685619358 487566125 /nfs/dbraw/zinc/56/61/25/487566125.db2.gz QBHOUODABBOQAO-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Cc1ccn[nH]1 ZINC000456356847 487629782 /nfs/dbraw/zinc/62/97/82/487629782.db2.gz XRXINHDDNPRGCG-TZMCWYRMSA-N 0 1 249.358 2.091 20 0 BEADMN Cc1cnn(C)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299259 487634398 /nfs/dbraw/zinc/63/43/98/487634398.db2.gz ZJTDQTMJDDMPTR-RYUDHWBXSA-N 0 1 219.332 2.103 20 0 BEADMN c1nc2cnccn2c1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299739 487635865 /nfs/dbraw/zinc/63/58/65/487635865.db2.gz QVAZSSPVARDUPD-AAEUAGOBSA-N 0 1 242.326 2.104 20 0 BEADMN Cc1noc([C@H](C)N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000674911811 487654007 /nfs/dbraw/zinc/65/40/07/487654007.db2.gz NILKWKQLFTZKMB-LSJOCFKGSA-N 0 1 221.304 2.171 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)C1CC1 ZINC000164053881 487790637 /nfs/dbraw/zinc/79/06/37/487790637.db2.gz NXXKDGVPUCLCPD-IONNQARKSA-N 0 1 207.277 2.008 20 0 BEADMN C[C@@H](C(=O)N(C)C(C)(C)c1ccccc1)N(C)C ZINC000671892312 487915354 /nfs/dbraw/zinc/91/53/54/487915354.db2.gz UAWRIPKIECCDJF-LBPRGKRZSA-N 0 1 248.370 2.330 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)[C@@H](C)[C@@H](C)O1 ZINC000682408239 487951659 /nfs/dbraw/zinc/95/16/59/487951659.db2.gz ZHJXDHYJGHUWNF-GRYCIOLGSA-N 0 1 235.327 2.390 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCCc2sccc2C1 ZINC000682854060 488053963 /nfs/dbraw/zinc/05/39/63/488053963.db2.gz ZOZMHXIOVHYNDQ-SNVBAGLBSA-N 0 1 239.340 2.360 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@H]1C ZINC000682955633 488072318 /nfs/dbraw/zinc/07/23/18/488072318.db2.gz UDOWAUBWVLIBMI-GMSGAONNSA-N 0 1 229.283 2.466 20 0 BEADMN C[C@H](NCc1c[nH]cn1)c1ccsc1 ZINC000061361767 488092946 /nfs/dbraw/zinc/09/29/46/488092946.db2.gz XXDHFWCXZZKJBN-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN C[C@H](NCc1cnc[nH]1)c1ccsc1 ZINC000061361767 488092949 /nfs/dbraw/zinc/09/29/49/488092949.db2.gz XXDHFWCXZZKJBN-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN Fc1cccn2cc(CN3CC[C@@H]4C[C@@H]4C3)nc12 ZINC000668677630 488102018 /nfs/dbraw/zinc/10/20/18/488102018.db2.gz UKPYNQMNARLYDU-GHMZBOCLSA-N 0 1 245.301 2.315 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000669264319 488136947 /nfs/dbraw/zinc/13/69/47/488136947.db2.gz CMNIJBVWXOYEDL-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CCN(CC(C)C)[C@H](C)c1nc(C)no1 ZINC000677883406 488146985 /nfs/dbraw/zinc/14/69/85/488146985.db2.gz QTFTYECHMWWCEP-SECBINFHSA-N 0 1 211.309 2.417 20 0 BEADMN c1coc([C@H]2CCN(Cc3cocn3)C2)c1 ZINC000683351497 488150883 /nfs/dbraw/zinc/15/08/83/488150883.db2.gz GPPLJHNLOCDDNO-JTQLQIEISA-N 0 1 218.256 2.257 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCC(C)C ZINC000197360169 488152490 /nfs/dbraw/zinc/15/24/90/488152490.db2.gz MVLFBPHTIWSQEH-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000671783510 488155516 /nfs/dbraw/zinc/15/55/16/488155516.db2.gz GIXIGLXEGSRZSF-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000379913738 488156506 /nfs/dbraw/zinc/15/65/06/488156506.db2.gz OLJOFJPCKAZNJV-ZJUUUORDSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1n[nH]cc1CN1CCC(c2ccon2)CC1 ZINC000668714430 488156669 /nfs/dbraw/zinc/15/66/69/488156669.db2.gz WYBDPSBKKLADSQ-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)[C@@H](C(=O)[O-])C1CC1 ZINC000223328831 488158207 /nfs/dbraw/zinc/15/82/07/488158207.db2.gz MQMBPRQKMUWJNM-GXSJLCMTSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C)[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010443 488158542 /nfs/dbraw/zinc/15/85/42/488158542.db2.gz YAZKQYJLOOWQIF-SECBINFHSA-N 0 1 219.284 2.499 20 0 BEADMN O=c1c2c([nH]n1-c1ccccc1)CCSC2 ZINC000137328514 488162964 /nfs/dbraw/zinc/16/29/64/488162964.db2.gz GPTXVOQFPCMTLE-JTQLQIEISA-N 0 1 232.308 2.142 20 0 BEADMN CCCn1nccc1CN1CCCSCC1 ZINC000667948951 488166471 /nfs/dbraw/zinc/16/64/71/488166471.db2.gz SKTXTRQFZYKVDP-UHFFFAOYSA-N 0 1 239.388 2.232 20 0 BEADMN Cc1cc(CNC(=O)C2CCC3(CC3)CC2)n[nH]1 ZINC000668733611 488175033 /nfs/dbraw/zinc/17/50/33/488175033.db2.gz ZLXWRPSBUCLNKH-UHFFFAOYSA-N 0 1 247.342 2.305 20 0 BEADMN C[C@H](CO)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000678045561 488181580 /nfs/dbraw/zinc/18/15/80/488181580.db2.gz NGHHXHQDYSHBOU-GUTXKFCHSA-N 0 1 249.354 2.077 20 0 BEADMN C[C@H](NCCOCC1CCCC1)c1ncc[nH]1 ZINC000453403388 488190697 /nfs/dbraw/zinc/19/06/97/488190697.db2.gz QNUQFZAOIYQVKV-NSHDSACASA-N 0 1 237.347 2.267 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CCCC23CC3)n1 ZINC000668050626 488195029 /nfs/dbraw/zinc/19/50/29/488195029.db2.gz WODAYJNLPJPLEP-WCBMZHEXSA-N 0 1 221.304 2.361 20 0 BEADMN Cn1cccc1[C@H]1CCCN1Cc1cn[nH]c1 ZINC000678125952 488202183 /nfs/dbraw/zinc/20/21/83/488202183.db2.gz YLOGQCUEZCNABX-CYBMUJFWSA-N 0 1 230.315 2.085 20 0 BEADMN CCNC(=O)CN(C)CC[C@H](C)c1ccccc1 ZINC000683696979 488208860 /nfs/dbraw/zinc/20/88/60/488208860.db2.gz UIIPOAMWLKPIMY-ZDUSSCGKSA-N 0 1 248.370 2.248 20 0 BEADMN CC1(C)CN(Cc2[nH]nc3ccccc32)CCO1 ZINC000678178545 488213922 /nfs/dbraw/zinc/21/39/22/488213922.db2.gz MHESTVQSBMQJIK-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CCCn1nccc1CN1CC(C2CC2)C1 ZINC000668182669 488215696 /nfs/dbraw/zinc/21/56/96/488215696.db2.gz KONXAZGXQABNJY-UHFFFAOYSA-N 0 1 219.332 2.135 20 0 BEADMN CO[C@@H]1CCC[C@H](N[C@H](C)c2csnn2)C1 ZINC000398382150 488216397 /nfs/dbraw/zinc/21/63/97/488216397.db2.gz TWSASYDRAHVDTA-KXUCPTDWSA-N 0 1 241.360 2.146 20 0 BEADMN c1[nH]nc2c1CN([C@@H]1CCc3ccccc31)CC2 ZINC000683784206 488221269 /nfs/dbraw/zinc/22/12/69/488221269.db2.gz OPGZDZZKKCLFDI-OAHLLOKOSA-N 0 1 239.322 2.455 20 0 BEADMN CCn1ccc(C[N@@H+](C)Cc2ccnc(N)c2)c1 ZINC000683787904 488222421 /nfs/dbraw/zinc/22/24/21/488222421.db2.gz ZSYJAMAIUGNGAH-UHFFFAOYSA-N 0 1 244.342 2.117 20 0 BEADMN CCn1ccc(CN(C)Cc2ccnc(N)c2)c1 ZINC000683787904 488222423 /nfs/dbraw/zinc/22/24/23/488222423.db2.gz ZSYJAMAIUGNGAH-UHFFFAOYSA-N 0 1 244.342 2.117 20 0 BEADMN C[C@H]1CCC[N@@H+](CCC2CCC2)[C@H]1C(=O)[O-] ZINC000398745565 488223509 /nfs/dbraw/zinc/22/35/09/488223509.db2.gz UHAHSXVJSDFXMB-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCC2)[C@H](C(=O)[O-])C1 ZINC000398735012 488223517 /nfs/dbraw/zinc/22/35/17/488223517.db2.gz NVRJTVIKRPUKTF-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1C(=O)[O-] ZINC000398732741 488223678 /nfs/dbraw/zinc/22/36/78/488223678.db2.gz NAHMHJFFWNSRKG-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN c1cc(CN2CC[C@H]2C2CC2)n(CC2CC2)n1 ZINC000668208468 488225017 /nfs/dbraw/zinc/22/50/17/488225017.db2.gz AQZGLEMHDMWSAV-AWEZNQCLSA-N 0 1 231.343 2.277 20 0 BEADMN C[C@@H]1COCCCN1Cc1cccc2c1OCO2 ZINC000678272651 488233964 /nfs/dbraw/zinc/23/39/64/488233964.db2.gz GCSGKZJOLYDBCF-LLVKDONJSA-N 0 1 249.310 2.026 20 0 BEADMN COc1ccsc1CN1CCc2cn[nH]c2C1 ZINC000678273931 488234659 /nfs/dbraw/zinc/23/46/59/488234659.db2.gz XDXZGDRJFPWEJJ-UHFFFAOYSA-N 0 1 249.339 2.038 20 0 BEADMN c1n[nH]cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000678282002 488236475 /nfs/dbraw/zinc/23/64/75/488236475.db2.gz LEKKNSUDTVIVLP-RYUDHWBXSA-N 0 1 237.372 2.270 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCC[C@H]2C[C@H]21 ZINC000672129667 488239004 /nfs/dbraw/zinc/23/90/04/488239004.db2.gz ZOCCNSXWNUJRTL-JOYOIKCWSA-N 0 1 241.294 2.187 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(CC)C[C@H]1C ZINC000672189534 488243746 /nfs/dbraw/zinc/24/37/46/488243746.db2.gz VVGHCJDWPARKEQ-BWODNOAJSA-N 0 1 236.359 2.061 20 0 BEADMN CC(C)C[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000037108832 488246628 /nfs/dbraw/zinc/24/66/28/488246628.db2.gz HZQGJSLLTXOLEZ-UHFFFAOYSA-N 0 1 211.261 2.066 20 0 BEADMN C[C@@H]1CCN(CCOC2CCC2)C[C@H]1F ZINC000672553010 488259620 /nfs/dbraw/zinc/25/96/20/488259620.db2.gz QHPCKLRLGIFGSD-ZYHUDNBSSA-N 0 1 215.312 2.235 20 0 BEADMN C[C@@H]1CCN(CCOC2CCC2)C[C@@H]1F ZINC000672553008 488259769 /nfs/dbraw/zinc/25/97/69/488259769.db2.gz QHPCKLRLGIFGSD-PWSUYJOCSA-N 0 1 215.312 2.235 20 0 BEADMN C[C@]1([NH2+]Cc2n[nH]c3ccccc32)CCCOC1 ZINC000678500736 488263212 /nfs/dbraw/zinc/26/32/12/488263212.db2.gz WCTPHDSQZLVLJS-AWEZNQCLSA-N 0 1 245.326 2.222 20 0 BEADMN CCCN(C)Cc1nc2c(s1)CCC2 ZINC000678812228 488286045 /nfs/dbraw/zinc/28/60/45/488286045.db2.gz NSHRXDUFHXMGQW-UHFFFAOYSA-N 0 1 210.346 2.474 20 0 BEADMN CN(Cc1nc2c(s1)CCC2)CC1CC1 ZINC000678818106 488287382 /nfs/dbraw/zinc/28/73/82/488287382.db2.gz QYAUBORDFRDQSV-UHFFFAOYSA-N 0 1 222.357 2.474 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000043585351 488290098 /nfs/dbraw/zinc/29/00/98/488290098.db2.gz WRBUYUAHSZOVKC-LBPRGKRZSA-N 0 1 248.326 2.158 20 0 BEADMN COc1ccccc1OCCN1CC=CCC1 ZINC000679323463 488337241 /nfs/dbraw/zinc/33/72/41/488337241.db2.gz PNERNWRBJGWARM-UHFFFAOYSA-N 0 1 233.311 2.336 20 0 BEADMN Cc1cc(CNC(=O)C2C(C)(C)C2(C)C)n[nH]1 ZINC000673671203 488302290 /nfs/dbraw/zinc/30/22/90/488302290.db2.gz XGSJVNIJBDPJQH-UHFFFAOYSA-N 0 1 235.331 2.017 20 0 BEADMN C[C@@H](C(=O)N1CCCCCC1)N1CC=CCC1 ZINC000679323805 488337288 /nfs/dbraw/zinc/33/72/88/488337288.db2.gz LRCJQUMUABGEBR-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN COc1cc(C)nc(CN2CC(C(C)C)C2)c1 ZINC000684408510 488307735 /nfs/dbraw/zinc/30/77/35/488307735.db2.gz RDMQKXOGJLHJMB-UHFFFAOYSA-N 0 1 234.343 2.486 20 0 BEADMN CCC[C@](C)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000684433207 488312777 /nfs/dbraw/zinc/31/27/77/488312777.db2.gz TZAWXYKAJISNCL-JSGCOSHPSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cc(C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n[nH]1 ZINC000679168116 488314022 /nfs/dbraw/zinc/31/40/22/488314022.db2.gz YQCQBHHHXNZSLS-BXKDBHETSA-N 0 1 247.342 2.080 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)N(C)C ZINC000684527769 488325856 /nfs/dbraw/zinc/32/58/56/488325856.db2.gz ZVXRJDLHXBJDCY-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC1(CNc2cc[nH+]c3c([O-])cccc23)COC1 ZINC000684574755 488328253 /nfs/dbraw/zinc/32/82/53/488328253.db2.gz FWFXHHDNYNPCKV-UHFFFAOYSA-N 0 1 244.294 2.389 20 0 BEADMN CC(C)CC[C@H](O)CN1CC[C@H](C)[C@@H](F)C1 ZINC000684619633 488334238 /nfs/dbraw/zinc/33/42/38/488334238.db2.gz HTEWRPOCAKVNAK-AVGNSLFASA-N 0 1 231.355 2.463 20 0 BEADMN COc1cccc(CN2CC=CCC2)c1OC ZINC000679358067 488344593 /nfs/dbraw/zinc/34/45/93/488344593.db2.gz ANOAPMJRBQOZGX-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)c2)C[C@H]1F ZINC000679358414 488345029 /nfs/dbraw/zinc/34/50/29/488345029.db2.gz IILBWZIXHVPMDN-CMPLNLGQSA-N 0 1 210.296 2.205 20 0 BEADMN COCc1ccc(CN2CC=CCC2)o1 ZINC000679359014 488345129 /nfs/dbraw/zinc/34/51/29/488345129.db2.gz LXHIAXJJWQPINX-UHFFFAOYSA-N 0 1 207.273 2.188 20 0 BEADMN c1[nH]nc(-c2cccnc2)c1CN1CC=CCC1 ZINC000679359003 488345492 /nfs/dbraw/zinc/34/54/92/488345492.db2.gz LGZHGVRNCZCQLF-UHFFFAOYSA-N 0 1 240.310 2.234 20 0 BEADMN CC[C@H](CNC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078659300 490057952 /nfs/dbraw/zinc/05/79/52/490057952.db2.gz YUAIJXXNKDNBCG-QWHCGFSZSA-N 0 1 248.370 2.247 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)c(F)c1 ZINC000086754479 490090097 /nfs/dbraw/zinc/09/00/97/490090097.db2.gz SZOPENNRXMAOMM-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CC(C)CCN(C)[C@H](C(N)=O)c1ccccc1 ZINC000049237391 490096264 /nfs/dbraw/zinc/09/62/64/490096264.db2.gz JMHXTDQBXYWQQQ-ZDUSSCGKSA-N 0 1 234.343 2.191 20 0 BEADMN COc1ccc(CN(C)Cc2cn[nH]c2)cc1C ZINC000678225338 490108275 /nfs/dbraw/zinc/10/82/75/490108275.db2.gz FMAGDDOJEJRYIP-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cn1nccc1CNCc1cccc2c1CCC2 ZINC000651675890 490130678 /nfs/dbraw/zinc/13/06/78/490130678.db2.gz HLSRGUFISVGWQL-UHFFFAOYSA-N 0 1 241.338 2.199 20 0 BEADMN C[C@H]1COCCN1Cc1cccc2c1CCC2 ZINC000651819208 490144907 /nfs/dbraw/zinc/14/49/07/490144907.db2.gz SLQSSTDPMIITDF-LBPRGKRZSA-N 0 1 231.339 2.396 20 0 BEADMN C[C@H](CN(C)C(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000078710866 490220821 /nfs/dbraw/zinc/22/08/21/490220821.db2.gz KHELFRXHELQUEP-OLZOCXBDSA-N 0 1 248.370 2.199 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078748862 490226791 /nfs/dbraw/zinc/22/67/91/490226791.db2.gz ZRULYYGRXFAVQK-SDDRHHMPSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ncc([C@@H](C)NCc2c[nH]nc2C)s1 ZINC000130143454 490237689 /nfs/dbraw/zinc/23/76/89/490237689.db2.gz UBQRRPPYCZOOLU-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000165515144 490260222 /nfs/dbraw/zinc/26/02/22/490260222.db2.gz QQRSNJWKQVJRQE-LBPRGKRZSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000165515273 490260516 /nfs/dbraw/zinc/26/05/16/490260516.db2.gz QQRSNJWKQVJRQE-GFCCVEGCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)nc1 ZINC000156658841 490269974 /nfs/dbraw/zinc/26/99/74/490269974.db2.gz GEHSFYAMPDFBTO-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000328508825 490297819 /nfs/dbraw/zinc/29/78/19/490297819.db2.gz MPHQFCSGWMKSCP-STQMWFEESA-N 0 1 233.359 2.217 20 0 BEADMN C[C@]1(c2ccccc2)CCN(CC(N)=O)C1 ZINC000335245750 490391018 /nfs/dbraw/zinc/39/10/18/490391018.db2.gz IHVNZTDOOUASAZ-ZDUSSCGKSA-N 0 1 218.300 2.185 20 0 BEADMN Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)nc1 ZINC000305175416 490447002 /nfs/dbraw/zinc/44/70/02/490447002.db2.gz GDIPFBXPPIGYDM-GXTWGEPZSA-N 0 1 234.343 2.125 20 0 BEADMN COc1ccc(F)cc1CNC1CSC1 ZINC000075153245 490517486 /nfs/dbraw/zinc/51/74/86/490517486.db2.gz PMFCNFQNYHYRPC-UHFFFAOYSA-N 0 1 227.304 2.039 20 0 BEADMN CC(C)c1cc(CNCC2=CCCOC2)on1 ZINC000127315999 490544168 /nfs/dbraw/zinc/54/41/68/490544168.db2.gz OEUIVNYUXOMXAN-UHFFFAOYSA-N 0 1 236.315 2.234 20 0 BEADMN COc1ccc(CNC2CSC2)c(F)c1 ZINC000076675397 490570478 /nfs/dbraw/zinc/57/04/78/490570478.db2.gz BDJQLPYMQLGVSB-UHFFFAOYSA-N 0 1 227.304 2.039 20 0 BEADMN C[C@@H]1CC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000040718713 490615928 /nfs/dbraw/zinc/61/59/28/490615928.db2.gz PSLIGJILTOHXSA-LLVKDONJSA-N 0 1 249.310 2.105 20 0 BEADMN CC(C)c1ccnc(N2CCN(C(C)C)CC2)n1 ZINC000222417951 490636853 /nfs/dbraw/zinc/63/68/53/490636853.db2.gz KXYZQWHWJSGVGB-UHFFFAOYSA-N 0 1 248.374 2.130 20 0 BEADMN c1cc2c(ccnc2NCCc2nc[nH]n2)s1 ZINC000080589927 490646298 /nfs/dbraw/zinc/64/62/98/490646298.db2.gz BXNUFNQRPQUMNO-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN OCC1(CNCc2cscn2)CCCCC1 ZINC000086994282 491065360 /nfs/dbraw/zinc/06/53/60/491065360.db2.gz OXZCJPPMSJQKNS-UHFFFAOYSA-N 0 1 240.372 2.176 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000659786699 491076574 /nfs/dbraw/zinc/07/65/74/491076574.db2.gz XWABZVWOZIOIRM-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN Fc1cnccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414598329 491091902 /nfs/dbraw/zinc/09/19/02/491091902.db2.gz XXWKYZGHXOIUHR-ZYHUDNBSSA-N 0 1 232.258 2.459 20 0 BEADMN Cc1ccc(CNCc2ccncc2)nc1 ZINC000088134928 491094544 /nfs/dbraw/zinc/09/45/44/491094544.db2.gz JRDQZCQMAXRXCN-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN C[C@H](CCNCc1ncnn1C)c1ccccc1 ZINC000088572208 491106040 /nfs/dbraw/zinc/10/60/40/491106040.db2.gz VJYHMGTZUMALGY-GFCCVEGCSA-N 0 1 244.342 2.099 20 0 BEADMN C[C@H]1CCC[C@@H]1NCc1nn(C)cc1Cl ZINC000335618745 491132633 /nfs/dbraw/zinc/13/26/33/491132633.db2.gz SNRHRBFPJIIQKH-WPRPVWTQSA-N 0 1 227.739 2.352 20 0 BEADMN CC1(C)CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000310576443 491162046 /nfs/dbraw/zinc/16/20/46/491162046.db2.gz PUCDJNCHALCLNZ-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN FCCN1CCC(OCC2CCC2)CC1 ZINC001206175862 974938065 /nfs/dbraw/zinc/93/80/65/974938065.db2.gz FBXOWPVKPHBETI-UHFFFAOYSA-N 0 1 215.312 2.237 20 0 BEADMN CC(C)[C@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000336093145 534919964 /nfs/dbraw/zinc/91/99/64/534919964.db2.gz UCKLDJKOTGBDQV-STQMWFEESA-N 0 1 240.391 2.077 20 0 BEADMN C[C@H](N[C@H]1CCC[C@H]1C)c1csnn1 ZINC000306619660 534001584 /nfs/dbraw/zinc/00/15/84/534001584.db2.gz TZPDTRUGBMPCFN-VGMNWLOBSA-N 0 1 211.334 2.377 20 0 BEADMN CCN(C)C(=O)CN(Cc1ccccc1)C(C)C ZINC000349119654 535714939 /nfs/dbraw/zinc/71/49/39/535714939.db2.gz GLVOMAOYGCRJHX-UHFFFAOYSA-N 0 1 248.370 2.375 20 0 BEADMN CCCCN(C)Cc1ccnc(OC)c1F ZINC000891451138 582689847 /nfs/dbraw/zinc/68/98/47/582689847.db2.gz RTUJFCULVYQECH-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ncc(C)cn2)C1 ZINC000335837306 536050370 /nfs/dbraw/zinc/05/03/70/536050370.db2.gz MXUPBODJYXBOTF-ZDUSSCGKSA-N 0 1 219.332 2.407 20 0 BEADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184633706 536069614 /nfs/dbraw/zinc/06/96/14/536069614.db2.gz JMZVMSTXSHBJNI-ZANVPECISA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@@]1(C)C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184633706 536069622 /nfs/dbraw/zinc/06/96/22/536069622.db2.gz JMZVMSTXSHBJNI-ZANVPECISA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H](C)N1C ZINC000493420955 534275623 /nfs/dbraw/zinc/27/56/23/534275623.db2.gz LCGRVLDMMMZWQB-OVFHYVDXSA-N 0 1 238.375 2.140 20 0 BEADMN CN(CCC(C)(C)O)Cc1ccccc1F ZINC000081666566 536314789 /nfs/dbraw/zinc/31/47/89/536314789.db2.gz ILUBWIRZMNUVPM-UHFFFAOYSA-N 0 1 225.307 2.419 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1nccn1C1CC1 ZINC000892103160 582792011 /nfs/dbraw/zinc/79/20/11/582792011.db2.gz IYPQJQDELZSSGX-WDEREUQCSA-N 0 1 219.332 2.448 20 0 BEADMN CCCNCc1ncc(Br)s1 ZINC000085352057 519967318 /nfs/dbraw/zinc/96/73/18/519967318.db2.gz CMNPLXUYPQNKAU-UHFFFAOYSA-N 0 1 235.150 2.405 20 0 BEADMN Fc1ccc(CNC/C=C\c2ccncc2)nc1 ZINC000487311486 534465705 /nfs/dbraw/zinc/46/57/05/534465705.db2.gz SXQORHQDMGHSHC-UPHRSURJSA-N 0 1 243.285 2.419 20 0 BEADMN CC(C)(C)CCCCC(=O)NCCN1CCC1 ZINC000342457277 534582580 /nfs/dbraw/zinc/58/25/80/534582580.db2.gz ZDVQQHHDEDGFPT-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CCc1coc(CN[C@@H]2CCC[C@@H](OC)C2)n1 ZINC001172915423 974965440 /nfs/dbraw/zinc/96/54/40/974965440.db2.gz RELXNVDTJLMMTN-VXGBXAGGSA-N 0 1 238.331 2.284 20 0 BEADMN CC(=O)c1cccc(CN2CCOC[C@@H](C)C2)c1 ZINC000336193345 534888819 /nfs/dbraw/zinc/88/88/19/534888819.db2.gz PMAPAUZNQTVZIH-LBPRGKRZSA-N 0 1 247.338 2.358 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@H]1CCSC1 ZINC000494976245 527840691 /nfs/dbraw/zinc/84/06/91/527840691.db2.gz PVTODJDVYNYZFA-GHMZBOCLSA-N 0 1 245.388 2.011 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@@H]1CCSC1 ZINC000494976247 527841573 /nfs/dbraw/zinc/84/15/73/527841573.db2.gz PVTODJDVYNYZFA-MNOVXSKESA-N 0 1 245.388 2.011 20 0 BEADMN CCN(CC(=O)N(C)C(C)(C)CC)C1CC1 ZINC000505207144 527892408 /nfs/dbraw/zinc/89/24/08/527892408.db2.gz LIPPMQPFZBDYOG-UHFFFAOYSA-N 0 1 226.364 2.118 20 0 BEADMN CCC(C)(C)OCCN[C@@H]1CCn2ccnc21 ZINC000308762872 528592658 /nfs/dbraw/zinc/59/26/58/528592658.db2.gz YVIUZCYSGQSINK-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN CCN1CCN(CC2CCCCC2)[C@H](C)C1=O ZINC000495219190 529140019 /nfs/dbraw/zinc/14/00/19/529140019.db2.gz CQGOTDQHDGOEKA-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000495112683 529241392 /nfs/dbraw/zinc/24/13/92/529241392.db2.gz SFMWAUCLGBRYPY-GVXVVHGQSA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)(C)n1cc(CN[C@@H]2CC[C@@H](F)C2)nn1 ZINC000342317205 534955131 /nfs/dbraw/zinc/95/51/31/534955131.db2.gz NVETYZVWZXTKIE-NXEZZACHSA-N 0 1 240.326 2.013 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1CCC1(C)C ZINC000342588236 534975616 /nfs/dbraw/zinc/97/56/16/534975616.db2.gz CJKAXKUTSPBHKN-JTQLQIEISA-N 0 1 236.363 2.311 20 0 BEADMN CC(C)[C@@H](CCO)NCc1ncc(Cl)s1 ZINC000225358215 535182481 /nfs/dbraw/zinc/18/24/81/535182481.db2.gz JTIYLGXLEFQWKA-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN CC/C=C/CCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000184613447 535232067 /nfs/dbraw/zinc/23/20/67/535232067.db2.gz SYYVUVQFYVMXMM-NVFZZLLCSA-N 0 1 239.359 2.223 20 0 BEADMN CC1(C)CCC[C@H]1NCc1ncccn1 ZINC000086874535 535308921 /nfs/dbraw/zinc/30/89/21/535308921.db2.gz CGZHQIOCFNIFES-SNVBAGLBSA-N 0 1 205.305 2.145 20 0 BEADMN CCCN(CCC(C)C)CC(=O)OCC ZINC000049947343 535313882 /nfs/dbraw/zinc/31/38/82/535313882.db2.gz YPXWVHPQDKTGRT-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CC1(C)CC[C@H](CN2CCOC[C@H]2C2CC2)O1 ZINC000248586626 535325929 /nfs/dbraw/zinc/32/59/29/535325929.db2.gz XYOWNPAXFULRQV-OLZOCXBDSA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)c1cc(C(=O)N2CC(C3CCC3)C2)n[nH]1 ZINC000335952580 535347360 /nfs/dbraw/zinc/34/73/60/535347360.db2.gz NNUMAMZEGWMBHE-UHFFFAOYSA-N 0 1 247.342 2.405 20 0 BEADMN CCCC[C@@H](CCC)NC(=O)CN(C)C ZINC000175000254 535352543 /nfs/dbraw/zinc/35/25/43/535352543.db2.gz JVMFRIBKQGUECN-LLVKDONJSA-N 0 1 214.353 2.023 20 0 BEADMN CC(C)c1cc(C(=O)N2[C@@H](C)C[C@@H]2C)n[nH]1 ZINC000336066348 535359163 /nfs/dbraw/zinc/35/91/63/535359163.db2.gz NAWHTOSYZKPBMN-IUCAKERBSA-N 0 1 221.304 2.156 20 0 BEADMN CCCc1noc(C23CCCN2CCC3)n1 ZINC000335297974 535554924 /nfs/dbraw/zinc/55/49/24/535554924.db2.gz LVMAKEXARDJZRJ-UHFFFAOYSA-N 0 1 221.304 2.107 20 0 BEADMN CCOCCN(CC)Cc1cnn(C(C)C)c1 ZINC000179639951 535585949 /nfs/dbraw/zinc/58/59/49/535585949.db2.gz ITYVTLVBAMBJMY-UHFFFAOYSA-N 0 1 239.363 2.322 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000342403868 535628951 /nfs/dbraw/zinc/62/89/51/535628951.db2.gz VBPGRICOUWALSX-QWRGUYRKSA-N 0 1 249.358 2.477 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@@H](C)C1 ZINC000227090850 535645340 /nfs/dbraw/zinc/64/53/40/535645340.db2.gz XVCYKPHNDAKWMJ-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@H](N[C@@H](C)C(=O)NCC)c1ccccn1 ZINC000346978782 535707144 /nfs/dbraw/zinc/70/71/44/535707144.db2.gz CSSZJZCLEWHLPC-AAEUAGOBSA-N 0 1 249.358 2.037 20 0 BEADMN CCC[C@H]1CN(CC[C@@H](C)F)CCO1 ZINC000351761869 535740344 /nfs/dbraw/zinc/74/03/44/535740344.db2.gz XXNIJIXHNRMAEF-MNOVXSKESA-N 0 1 203.301 2.235 20 0 BEADMN CCOC1CC(CN(C)Cc2cc(C)on2)C1 ZINC000351852529 535753121 /nfs/dbraw/zinc/75/31/21/535753121.db2.gz AXVVEYJWUMGEPV-UHFFFAOYSA-N 0 1 238.331 2.230 20 0 BEADMN CC[C@@H](NC[C@H](O)C(F)F)c1ccccc1F ZINC000226608600 535804884 /nfs/dbraw/zinc/80/48/84/535804884.db2.gz PZFIKWKMSFUCHB-MNOVXSKESA-N 0 1 247.260 2.492 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1Cc1cccn1C ZINC000334226673 535853276 /nfs/dbraw/zinc/85/32/76/535853276.db2.gz FSXOQHLRCBCWSK-VXGBXAGGSA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@](C)(O)CNCc1ncc(Cl)s1 ZINC000225342178 535856925 /nfs/dbraw/zinc/85/69/25/535856925.db2.gz QBBXGYUVSUPWHL-VIFPVBQESA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@]1(C)CC[N@@H+](CCCCC(=O)[O-])C1 ZINC000261595691 535909542 /nfs/dbraw/zinc/90/95/42/535909542.db2.gz YGNFIYWWXWNNHW-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN CC[C@]1(C)CCN(Cc2ncc(C)n2C)C1 ZINC000342799493 535910435 /nfs/dbraw/zinc/91/04/35/535910435.db2.gz OMKMBILKCHHJFY-CYBMUJFWSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@H](N[C@@H]1CCCOC1)c1nccs1 ZINC000070717445 535933290 /nfs/dbraw/zinc/93/32/90/535933290.db2.gz KALGDCMCCBOGNB-ZJUUUORDSA-N 0 1 226.345 2.363 20 0 BEADMN CCn1cc(CCN(C)CCC(F)(F)F)cn1 ZINC000348381518 536039050 /nfs/dbraw/zinc/03/90/50/536039050.db2.gz ZHOWTCGWRZBYTR-UHFFFAOYSA-N 0 1 249.280 2.330 20 0 BEADMN CC[C@H]1CCCN1Cc1c(Cl)cnn1C ZINC000336165310 536071268 /nfs/dbraw/zinc/07/12/68/536071268.db2.gz TTWHOODSKGENAN-VIFPVBQESA-N 0 1 227.739 2.448 20 0 BEADMN CC[C@H]1CN([C@H](C)c2cnccn2)CCS1 ZINC000248625170 536159264 /nfs/dbraw/zinc/15/92/64/536159264.db2.gz OYUYVBFDRCVUSJ-MNOVXSKESA-N 0 1 237.372 2.365 20 0 BEADMN CN(Cc1cc2ccccc2o1)Cc1nnc[nH]1 ZINC000178540004 536461786 /nfs/dbraw/zinc/46/17/86/536461786.db2.gz POXOBKOJSSFKQZ-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN CO[C@@H]1CCN(Cc2conc2C)CC1(C)C ZINC000336208748 536689578 /nfs/dbraw/zinc/68/95/78/536689578.db2.gz AKDHJPNGEVXDRM-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN CO[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000335313031 536749849 /nfs/dbraw/zinc/74/98/49/536749849.db2.gz JZXBKOVJRLOXSM-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN COCc1ccc(CN[C@H]2C[C@H]2C(F)F)o1 ZINC000348209545 536781860 /nfs/dbraw/zinc/78/18/60/536781860.db2.gz KCRXABXZLVGTCP-ZJUUUORDSA-N 0 1 231.242 2.169 20 0 BEADMN COCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185318736 536879252 /nfs/dbraw/zinc/87/92/52/536879252.db2.gz ORGOADVNITYUIE-JTQLQIEISA-N 0 1 241.281 2.401 20 0 BEADMN CO[C@@H](C)CN(C)Cc1scnc1C1CC1 ZINC000348838943 538002283 /nfs/dbraw/zinc/00/22/83/538002283.db2.gz RUPNIWROZJQSKR-VIFPVBQESA-N 0 1 240.372 2.487 20 0 BEADMN CO[C@H]1CCC[C@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001172932191 974981919 /nfs/dbraw/zinc/98/19/19/974981919.db2.gz QWFUZLIHZXAJHR-BJDJZHNGSA-N 0 1 233.302 2.326 20 0 BEADMN Cn1cc(Cl)c(CNCC2(C)CCC2)n1 ZINC000393314278 566332784 /nfs/dbraw/zinc/33/27/84/566332784.db2.gz GSHZQWPWTFPZQV-UHFFFAOYSA-N 0 1 227.739 2.353 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893872747 583236930 /nfs/dbraw/zinc/23/69/30/583236930.db2.gz UREFCGHKKNYHEB-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@@H]1CCN1CC ZINC000893872747 583236933 /nfs/dbraw/zinc/23/69/33/583236933.db2.gz UREFCGHKKNYHEB-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CSc1ccc(CN(CCCO)C2CC2)o1 ZINC000894021394 583275234 /nfs/dbraw/zinc/27/52/34/583275234.db2.gz RRRHHMVGSVIYLQ-UHFFFAOYSA-N 0 1 241.356 2.348 20 0 BEADMN Cc1n[nH]c(CN2CCS[C@H](C)[C@H]2C)c1C ZINC000894033451 583277592 /nfs/dbraw/zinc/27/75/92/583277592.db2.gz DNXGEGDSARANLM-GHMZBOCLSA-N 0 1 239.388 2.352 20 0 BEADMN Cc1ccc(C)c(C(=O)O[C@H](C)c2nnc[nH]2)c1 ZINC000853213118 588725379 /nfs/dbraw/zinc/72/53/79/588725379.db2.gz HKLHWQRUVCTANM-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN C[C@@H](OC(=O)CCc1ccccc1)c1nnc[nH]1 ZINC000853214951 588725437 /nfs/dbraw/zinc/72/54/37/588725437.db2.gz PYTLQDOQGWJTKI-SNVBAGLBSA-N 0 1 245.282 2.042 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)c(C)c1 ZINC000853212170 588725455 /nfs/dbraw/zinc/72/54/55/588725455.db2.gz AMMVXKUYSATCBY-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN CCC[C@H](C)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853217593 588725893 /nfs/dbraw/zinc/72/58/93/588725893.db2.gz BSTVMUGAIKOCJZ-DTWKUNHWSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@H](OC(=O)C=C(C1CC1)C1CC1)c1nnc[nH]1 ZINC000853219980 588726127 /nfs/dbraw/zinc/72/61/27/588726127.db2.gz WNXQTLDUGNDJKY-QMMMGPOBSA-N 0 1 247.298 2.155 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)c(F)c1 ZINC000853221394 588726277 /nfs/dbraw/zinc/72/62/77/588726277.db2.gz UXZNHRNZQYPODZ-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN CCC[C@@H](C(=O)O[C@H](C)c1nnc[nH]1)C(C)C ZINC000853222691 588726485 /nfs/dbraw/zinc/72/64/85/588726485.db2.gz QTEIGKSJZLZLOH-NXEZZACHSA-N 0 1 239.319 2.481 20 0 BEADMN CCC(CC)[C@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222144 588726562 /nfs/dbraw/zinc/72/65/62/588726562.db2.gz GCSQVUKMTXGJHE-DTWKUNHWSA-N 0 1 239.319 2.481 20 0 BEADMN CC[C@@H](C)CCC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853222791 588726588 /nfs/dbraw/zinc/72/65/88/588726588.db2.gz BTQNKUIWOKMZJV-RKDXNWHRSA-N 0 1 225.292 2.235 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853224410 588727023 /nfs/dbraw/zinc/72/70/23/588727023.db2.gz FTEYDPNUHCBWDM-BBBLOLIVSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)CC1)c1nnc[nH]1 ZINC000853228155 588727131 /nfs/dbraw/zinc/72/71/31/588727131.db2.gz XQJAHTXOSINELN-GUBZILKMSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](OC(=O)C1=CC[C@@H](C)CC1)c1nnc[nH]1 ZINC000853225236 588727150 /nfs/dbraw/zinc/72/71/50/588727150.db2.gz MXSMGVQCSGZCMF-RKDXNWHRSA-N 0 1 235.287 2.155 20 0 BEADMN C[C@H](OC(=O)/C=C\C1CCCC1)c1nnc[nH]1 ZINC000853226259 588727257 /nfs/dbraw/zinc/72/72/57/588727257.db2.gz VQJXLUDGZSPELO-NMTCXDENSA-N 0 1 235.287 2.155 20 0 BEADMN CC(C)C[C@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853226368 588727642 /nfs/dbraw/zinc/72/76/42/588727642.db2.gz WBBGLPIGIYTHAP-IUCAKERBSA-N 0 1 225.292 2.091 20 0 BEADMN CC(=CC(=O)O[C@H](C)c1nnc[nH]1)c1ccco1 ZINC000853226879 588727735 /nfs/dbraw/zinc/72/77/35/588727735.db2.gz JDRGDYGBOJCHEZ-BNICOGTQSA-N 0 1 247.254 2.105 20 0 BEADMN C[C@H](OC(=O)C(C)(C)C(C)(C)C)c1nnc[nH]1 ZINC000853226545 588727836 /nfs/dbraw/zinc/72/78/36/588727836.db2.gz YOLSBDWMAUOTEK-QMMMGPOBSA-N 0 1 239.319 2.481 20 0 BEADMN CCc1noc(C)c1[C@H](C)NCCOCCF ZINC000853238838 588728276 /nfs/dbraw/zinc/72/82/76/588728276.db2.gz SMHRNQQNXOCLML-VIFPVBQESA-N 0 1 244.310 2.182 20 0 BEADMN CC(C)[C@H]1CCN(CN2CCC(C)CC2)C1=O ZINC000853487947 588745558 /nfs/dbraw/zinc/74/55/58/588745558.db2.gz NKLZSRLWQQSBOC-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN O=C1[C@@H]2CCCCC[C@@H]2N1CN1CC[C@H]2C[C@H]2C1 ZINC000853578269 588749593 /nfs/dbraw/zinc/74/95/93/588749593.db2.gz WNFHRURHCVHWTR-FQUUOJAGSA-N 0 1 248.370 2.077 20 0 BEADMN CCC(N)=NOCc1csc(Cl)n1 ZINC000853655940 588752685 /nfs/dbraw/zinc/75/26/85/588752685.db2.gz FWTUGNNHQLIGGW-UHFFFAOYSA-N 0 1 219.697 2.205 20 0 BEADMN CCC(N)=NOCCCc1cc(CC)no1 ZINC000853656201 588752742 /nfs/dbraw/zinc/75/27/42/588752742.db2.gz KOCVFXSTRWTMLF-UHFFFAOYSA-N 0 1 225.292 2.078 20 0 BEADMN Cc1ccc(Cl)c(N(C)CC2CN(C)C2)n1 ZINC000853824943 588765159 /nfs/dbraw/zinc/76/51/59/588765159.db2.gz UYFGVHOQTICYJR-UHFFFAOYSA-N 0 1 239.750 2.041 20 0 BEADMN CN(C)Cc1cc(-c2cc[nH]n2)ccc1F ZINC000854197813 588778901 /nfs/dbraw/zinc/77/89/01/588778901.db2.gz WWRGOMBLZQCTKH-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000854602172 588796843 /nfs/dbraw/zinc/79/68/43/588796843.db2.gz OBUDNCREIIEPDQ-GMTAPVOTSA-N 0 1 243.347 2.284 20 0 BEADMN O=C(C=C1CCC1)NCc1ccc2nc[nH]c2c1 ZINC000854809741 588811786 /nfs/dbraw/zinc/81/17/86/588811786.db2.gz GJRKJCCDULICHV-UHFFFAOYSA-N 0 1 241.294 2.289 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997638 588822235 /nfs/dbraw/zinc/82/22/35/588822235.db2.gz WYDCZMPDEOHPFD-PHIMTYICSA-N 0 1 242.363 2.336 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135995 588822732 /nfs/dbraw/zinc/82/27/32/588822732.db2.gz KSJMASGOHAQORL-POHAHGRESA-N 0 1 235.331 2.361 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)/C=C\C1CCCC1 ZINC000855135632 588823101 /nfs/dbraw/zinc/82/31/01/588823101.db2.gz RDROHMYPVMAOIF-SREVYHEPSA-N 0 1 233.315 2.115 20 0 BEADMN CCCCN(C)CN1C[C@@H](C(C)C)CC1=O ZINC000113239598 588827753 /nfs/dbraw/zinc/82/77/53/588827753.db2.gz ZUWHAIUTOPQWGZ-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000859092684 582481667 /nfs/dbraw/zinc/48/16/67/582481667.db2.gz SCNVNGSGCUMILS-VXGBXAGGSA-N 0 1 242.363 2.194 20 0 BEADMN CC[C@@H]1c2ccccc2CN1C(=O)CN(C)C ZINC000890611223 582487464 /nfs/dbraw/zinc/48/74/64/582487464.db2.gz RNKIUDJJAYTUGD-CYBMUJFWSA-N 0 1 232.327 2.042 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NOC1CCC1 ZINC000812794631 582566436 /nfs/dbraw/zinc/56/64/36/582566436.db2.gz LXDPENSBUJAPIV-UHFFFAOYSA-N 0 1 237.303 2.055 20 0 BEADMN CCc1cc(CNc2nccc(SC)n2)n[nH]1 ZINC000845490082 582612928 /nfs/dbraw/zinc/61/29/28/582612928.db2.gz KLAQWNCMNUIVPW-UHFFFAOYSA-N 0 1 249.343 2.096 20 0 BEADMN CCc1ccc2c(c1)CCN2C(=O)[C@H](C)N(C)C ZINC000891385107 582675085 /nfs/dbraw/zinc/67/50/85/582675085.db2.gz WJLRYIKSASYHQO-NSHDSACASA-N 0 1 246.354 2.088 20 0 BEADMN CCN(CCOC)Cc1nccc2c1CCCC2 ZINC000891584460 582700115 /nfs/dbraw/zinc/70/01/15/582700115.db2.gz RQMSEJGCNKPKRJ-UHFFFAOYSA-N 0 1 248.370 2.429 20 0 BEADMN CCOC1CCN(Cc2ccc(OC)o2)CC1 ZINC000891669408 582708727 /nfs/dbraw/zinc/70/87/27/582708727.db2.gz ZUYVRSFKGQVHAW-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN c1cc2c(c(CN3CCCOCC3)n1)CCCC2 ZINC000891718851 582713429 /nfs/dbraw/zinc/71/34/29/582713429.db2.gz BRDUZVLNWRKDML-UHFFFAOYSA-N 0 1 246.354 2.183 20 0 BEADMN COc1ccc(CN(C)C[C@@H]2CCCCO2)o1 ZINC000891786529 582721219 /nfs/dbraw/zinc/72/12/19/582721219.db2.gz NMYYCRYXVQUKDB-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN COCCCN(C)Cc1ccnn1C1CCC1 ZINC000891818672 582725847 /nfs/dbraw/zinc/72/58/47/582725847.db2.gz OFKQGVHUYHMDAS-UHFFFAOYSA-N 0 1 237.347 2.076 20 0 BEADMN CCOc1ccc(C[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000891917313 582737649 /nfs/dbraw/zinc/73/76/49/582737649.db2.gz KCULTDGWWXXNHS-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CCOc1ccc(CN2CCCO[C@@H](C)C2)o1 ZINC000891917313 582737650 /nfs/dbraw/zinc/73/76/50/582737650.db2.gz KCULTDGWWXXNHS-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CN(Cc1cc(O)cc(Cl)c1)[C@H]1CCOC1 ZINC000891935086 582741125 /nfs/dbraw/zinc/74/11/25/582741125.db2.gz NMMBAQBRVORGAF-NSHDSACASA-N 0 1 241.718 2.266 20 0 BEADMN COC1CCC(CN(C)Cc2cc[nH]n2)CC1 ZINC000892007312 582760438 /nfs/dbraw/zinc/76/04/38/582760438.db2.gz GQLVSABNEKAQOC-UHFFFAOYSA-N 0 1 237.347 2.047 20 0 BEADMN CC1(C)CCN(Cc2nccn2C2CC2)C1 ZINC000892021810 582763844 /nfs/dbraw/zinc/76/38/44/582763844.db2.gz NOPPEBLWBCAKSW-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN Cc1nn(C)c(CN2C[C@@H](C)[C@H](C)C2)c1Cl ZINC000892068129 582785415 /nfs/dbraw/zinc/78/54/15/582785415.db2.gz FTVIROVTCWMENX-RKDXNWHRSA-N 0 1 241.766 2.470 20 0 BEADMN CCOc1ccc(CN2CCOC[C@@H](C)C2)o1 ZINC000892077065 582786716 /nfs/dbraw/zinc/78/67/16/582786716.db2.gz MFBCIEYQFKXGJX-NSHDSACASA-N 0 1 239.315 2.147 20 0 BEADMN COc1nccc(CN2C[C@@H](C)C[C@@H]2C)c1F ZINC000892103611 582791353 /nfs/dbraw/zinc/79/13/53/582791353.db2.gz KTHIJHABJPEBFD-UWVGGRQHSA-N 0 1 238.306 2.460 20 0 BEADMN CCOC[C@@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000892181194 582805805 /nfs/dbraw/zinc/80/58/05/582805805.db2.gz VGKSDQMYVHLFRG-GFCCVEGCSA-N 0 1 249.358 2.076 20 0 BEADMN COc1nccc(CN2CC[C@@H](C)[C@@H]2C)c1F ZINC000892215565 582808526 /nfs/dbraw/zinc/80/85/26/582808526.db2.gz YALHZBBWQHCKHU-ZJUUUORDSA-N 0 1 238.306 2.460 20 0 BEADMN Cc1csc([C@@H](C)Nc2nc(C)cc(N)n2)n1 ZINC000892302498 582832090 /nfs/dbraw/zinc/83/20/90/582832090.db2.gz IDEKVABLNYENQT-MRVPVSSYSA-N 0 1 249.343 2.305 20 0 BEADMN CC=CC=CC(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849635691 582854206 /nfs/dbraw/zinc/85/42/06/582854206.db2.gz ZIJRBLMUHZNISZ-QNHJHJNCSA-N 0 1 235.287 2.104 20 0 BEADMN Cc1noc(C)c1[C@@H](C)Nc1nc(C)cc(N)n1 ZINC000892528320 582906639 /nfs/dbraw/zinc/90/66/39/582906639.db2.gz SXEGBMRWVSWSTM-SSDOTTSWSA-N 0 1 247.302 2.145 20 0 BEADMN CCn1cc(CNCc2ccoc2C)c(C)n1 ZINC000892659411 582943052 /nfs/dbraw/zinc/94/30/52/582943052.db2.gz RMAKVSSZXGPWKA-UHFFFAOYSA-N 0 1 233.315 2.403 20 0 BEADMN C[C@H](CO)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000678044410 582958044 /nfs/dbraw/zinc/95/80/44/582958044.db2.gz PLKCXROXAIBLPY-GUTXKFCHSA-N 0 1 249.354 2.077 20 0 BEADMN CC(C)[C@@H](C(=O)OCC[C@H]1CC1(F)F)N(C)C ZINC000851384172 582958167 /nfs/dbraw/zinc/95/81/67/582958167.db2.gz DFMORAGTLYMGKG-UWVGGRQHSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)o1 ZINC000783738914 582961764 /nfs/dbraw/zinc/96/17/64/582961764.db2.gz DEFRHMIKNGMRDX-ZSEWYUTFSA-N 0 1 247.338 2.217 20 0 BEADMN CC[C@]1(C)CCCN(c2nc(C)cc(N)n2)C1 ZINC000892723430 582969790 /nfs/dbraw/zinc/96/97/90/582969790.db2.gz MDDVBOBFQVLLLE-CYBMUJFWSA-N 0 1 234.347 2.384 20 0 BEADMN CCc1onc(C)c1CNCCOC(C)(C)C ZINC000892745323 582973949 /nfs/dbraw/zinc/97/39/49/582973949.db2.gz NELWRDSAWGSYBY-UHFFFAOYSA-N 0 1 240.347 2.450 20 0 BEADMN COc1ccc(CNCCOC(C)(C)C)o1 ZINC000892745332 582974422 /nfs/dbraw/zinc/97/44/22/582974422.db2.gz NRCBEMBVBMPIDL-UHFFFAOYSA-N 0 1 227.304 2.193 20 0 BEADMN COc1ccc(CNCc2cccc(CO)c2)o1 ZINC000892920325 583010153 /nfs/dbraw/zinc/01/01/53/583010153.db2.gz OICUYLQQUCGUGA-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000852560274 583014690 /nfs/dbraw/zinc/01/46/90/583014690.db2.gz ZOVXPPDIDGYPQK-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)OCc1c[nH]nn1 ZINC000892994254 583026961 /nfs/dbraw/zinc/02/69/61/583026961.db2.gz CGWJZYZPRGRCAU-BXKDBHETSA-N 0 1 237.303 2.064 20 0 BEADMN CCC/C(C)=C\C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853218228 583030427 /nfs/dbraw/zinc/03/04/27/583030427.db2.gz JSURVONFEJAJJT-XZLDQRQTSA-N 0 1 223.276 2.155 20 0 BEADMN CCC[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)C(C)C ZINC000853222693 583032006 /nfs/dbraw/zinc/03/20/06/583032006.db2.gz QTEIGKSJZLZLOH-VHSXEESVSA-N 0 1 239.319 2.481 20 0 BEADMN CC1(O)CCC(Nc2ccc3nn[nH]c3c2)CC1 ZINC000893144477 583057176 /nfs/dbraw/zinc/05/71/76/583057176.db2.gz QJSDVXOYKBXBCG-UHFFFAOYSA-N 0 1 246.314 2.063 20 0 BEADMN CC1(O)CCC(Nc2ccc3n[nH]nc3c2)CC1 ZINC000893144477 583057178 /nfs/dbraw/zinc/05/71/78/583057178.db2.gz QJSDVXOYKBXBCG-UHFFFAOYSA-N 0 1 246.314 2.063 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H](C)C(C)(C)C2)n1 ZINC000893181440 583065333 /nfs/dbraw/zinc/06/53/33/583065333.db2.gz IQELJGDTMIPUMZ-VIFPVBQESA-N 0 1 234.347 2.240 20 0 BEADMN O=C(NOCC1CCC1)c1cccc2nc[nH]c21 ZINC000856348940 588869293 /nfs/dbraw/zinc/86/92/93/588869293.db2.gz VFLPSHGLFIEYDB-UHFFFAOYSA-N 0 1 245.282 2.024 20 0 BEADMN COc1ccc(C[C@H](C)NCc2cocn2)cc1 ZINC000397930898 583113079 /nfs/dbraw/zinc/11/30/79/583113079.db2.gz PTIVSGOZKUCHER-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN Cn1cc(CN[C@H]2CCC(F)(F)C2)c(Cl)n1 ZINC000856773454 588877199 /nfs/dbraw/zinc/87/71/99/588877199.db2.gz DTKVGUBVEOKTHE-QMMMGPOBSA-N 0 1 249.692 2.351 20 0 BEADMN Cn1cc(CN[C@H]2CSC2(C)C)c(Cl)n1 ZINC000856786920 588877791 /nfs/dbraw/zinc/87/77/91/588877791.db2.gz SAIXZPXPPOIRGK-QMMMGPOBSA-N 0 1 245.779 2.057 20 0 BEADMN Cn1cc(CNCCC(C)(F)F)c(Cl)n1 ZINC000856789225 588877865 /nfs/dbraw/zinc/87/78/65/588877865.db2.gz GRANDNNBZAAXSY-UHFFFAOYSA-N 0 1 237.681 2.208 20 0 BEADMN Clc1nc2[nH]cnc2c(N[C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000893551015 583163000 /nfs/dbraw/zinc/16/30/00/583163000.db2.gz QORMBRUSFXBRLW-KVSKUHBBSA-N 0 1 249.705 2.217 20 0 BEADMN C[C@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857011995 588881934 /nfs/dbraw/zinc/88/19/34/588881934.db2.gz RWHCDALSBWKLSR-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN Cc1cnc(CNC2CC3(C2)CO[C@H](C)C3)o1 ZINC000893858160 583233396 /nfs/dbraw/zinc/23/33/96/583233396.db2.gz QHUMQJGXHGKDCM-CBZQXFMTSA-N 0 1 236.315 2.030 20 0 BEADMN CN1CCN(C/C=C/c2cccc(F)c2)CC1 ZINC000893863507 583235156 /nfs/dbraw/zinc/23/51/56/583235156.db2.gz FJUNZPUAQBNTRH-HWKANZROSA-N 0 1 234.318 2.086 20 0 BEADMN CCN(CC)Cc1c2c(nn1C)CCSC2 ZINC000893872066 583238059 /nfs/dbraw/zinc/23/80/59/583238059.db2.gz OEHVFQVRCJGSDM-UHFFFAOYSA-N 0 1 239.388 2.051 20 0 BEADMN CCCN(C)Cc1c2c(nn1C)CCSC2 ZINC000893923847 583248886 /nfs/dbraw/zinc/24/88/86/583248886.db2.gz OIMZYRAVSSJNDW-UHFFFAOYSA-N 0 1 239.388 2.051 20 0 BEADMN Cc1ncoc1CN1CCC(c2cn[nH]c2)CC1 ZINC000893974629 583265025 /nfs/dbraw/zinc/26/50/25/583265025.db2.gz UPMPPGCCGQHQMY-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1[nH]nc(CN(C)C[C@@H]2CCCCO2)c1C ZINC000893974624 583265385 /nfs/dbraw/zinc/26/53/85/583265385.db2.gz UJRZOHQAEVYTIQ-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1ncoc1CN1CCC(n2ccnc2)CC1 ZINC000893979524 583266049 /nfs/dbraw/zinc/26/60/49/583266049.db2.gz BRYOEBZOBLMAJF-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(SC)o2)C[C@@H]1O ZINC000894095384 583299520 /nfs/dbraw/zinc/29/95/20/583299520.db2.gz QSZQLZDDBNSKSV-KOLCDFICSA-N 0 1 241.356 2.204 20 0 BEADMN COc1ccc(CN2CCC[C@](C)(OC)C2)o1 ZINC000894141000 583317307 /nfs/dbraw/zinc/31/73/07/583317307.db2.gz UFVVNIGEEAYAJF-ZDUSSCGKSA-N 0 1 239.315 2.289 20 0 BEADMN C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH]cn1 ZINC000894178088 583328305 /nfs/dbraw/zinc/32/83/05/583328305.db2.gz CMISXHJQCDACKH-AAEUAGOBSA-N 0 1 237.347 2.095 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)nn1 ZINC000877593958 583338470 /nfs/dbraw/zinc/33/84/70/583338470.db2.gz KLWSGLFAAWYFCF-TUAOUCFPSA-N 0 1 236.363 2.164 20 0 BEADMN CCc1ccc(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000104190715 583345346 /nfs/dbraw/zinc/34/53/46/583345346.db2.gz LHUIVCMLFKSXRY-SMDDNHRTSA-N 0 1 247.338 2.402 20 0 BEADMN C[C@@H](CNC(=O)CN1CCCC1)c1ccccc1 ZINC000726874546 583380359 /nfs/dbraw/zinc/38/03/59/583380359.db2.gz AXXYFPCHURJIJV-ZDUSSCGKSA-N 0 1 246.354 2.002 20 0 BEADMN Fc1ccc2c(c1)[C@H](NCc1cnc[nH]1)CCO2 ZINC000894231324 583384350 /nfs/dbraw/zinc/38/43/50/583384350.db2.gz QOMWCHUJEOXMQD-GFCCVEGCSA-N 0 1 247.273 2.162 20 0 BEADMN CC[C@@H](NCc1nocc1C)[C@H]1CCCCO1 ZINC000878847058 583407079 /nfs/dbraw/zinc/40/70/79/583407079.db2.gz PBPQUESRIYZUIT-DGCLKSJQSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1ncoc1CNCCOCc1ccccc1 ZINC000894325180 583422795 /nfs/dbraw/zinc/42/27/95/583422795.db2.gz OKHGZBSMZUAQGL-UHFFFAOYSA-N 0 1 246.310 2.289 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccccc2)[C@@H](C)[C@H](C)O1 ZINC000791540993 583424253 /nfs/dbraw/zinc/42/42/53/583424253.db2.gz DYLJGWKQZWZDJJ-UKTARXLSSA-N 0 1 249.354 2.218 20 0 BEADMN CO[C@H]1Cc2ccc(NCc3cnc[nH]3)cc2C1 ZINC000894445266 583460531 /nfs/dbraw/zinc/46/05/31/583460531.db2.gz PPRVAABQWSVEEK-AWEZNQCLSA-N 0 1 243.310 2.135 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2ccncc2)c1C ZINC000894448360 583462480 /nfs/dbraw/zinc/46/24/80/583462480.db2.gz GDSHUDUYKQILQP-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CCCSC[C@@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000894468272 583467700 /nfs/dbraw/zinc/46/77/00/583467700.db2.gz UQVWDMIHNMNZMD-RKDXNWHRSA-N 0 1 242.392 2.295 20 0 BEADMN C[C@H](C1CC1)n1cc(NCc2cnc[nH]2)cn1 ZINC000894496718 583474039 /nfs/dbraw/zinc/47/40/39/583474039.db2.gz VRGPZQINIRKXRR-SECBINFHSA-N 0 1 231.303 2.189 20 0 BEADMN CSc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)o1 ZINC000894496815 583474179 /nfs/dbraw/zinc/47/41/79/583474179.db2.gz FTELHXWPVYUHKA-GXSJLCMTSA-N 0 1 241.356 2.204 20 0 BEADMN CC[C@H]1C[C@H](CN(C)Cc2ncc[nH]2)CCO1 ZINC000894586296 583489114 /nfs/dbraw/zinc/48/91/14/583489114.db2.gz MVBMMFNPHPPRNP-NEPJUHHUSA-N 0 1 237.347 2.047 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1nccc2c1CCCC2 ZINC000894613491 583494475 /nfs/dbraw/zinc/49/44/75/583494475.db2.gz YFNXRYCFWGTSQS-ZDUSSCGKSA-N 0 1 246.354 2.181 20 0 BEADMN COC[C@@H]1CCN1Cc1nccc2c1CCCC2 ZINC000894613491 583494476 /nfs/dbraw/zinc/49/44/76/583494476.db2.gz YFNXRYCFWGTSQS-ZDUSSCGKSA-N 0 1 246.354 2.181 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1C ZINC000894613327 583494500 /nfs/dbraw/zinc/49/45/00/583494500.db2.gz WXSFWWLDDWPZIN-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1nccc2c1CCCC2 ZINC000894613490 583494580 /nfs/dbraw/zinc/49/45/80/583494580.db2.gz YFNXRYCFWGTSQS-CYBMUJFWSA-N 0 1 246.354 2.181 20 0 BEADMN COC[C@H]1CCN1Cc1nccc2c1CCCC2 ZINC000894613490 583494581 /nfs/dbraw/zinc/49/45/81/583494581.db2.gz YFNXRYCFWGTSQS-CYBMUJFWSA-N 0 1 246.354 2.181 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1ccnn1C1CCC1 ZINC000894627771 583495080 /nfs/dbraw/zinc/49/50/80/583495080.db2.gz JZPCZPUZYWNOAW-WDEREUQCSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@H]1CN(Cc2ccnn2C2CCC2)[C@H]1C ZINC000894627770 583495381 /nfs/dbraw/zinc/49/53/81/583495381.db2.gz JZPCZPUZYWNOAW-QWRGUYRKSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1ccc(O)c(F)c1 ZINC000894627317 583495527 /nfs/dbraw/zinc/49/55/27/583495527.db2.gz FUPJXTUXZRZRNZ-DTWKUNHWSA-N 0 1 209.264 2.372 20 0 BEADMN C[C@@H](F)CCNCc1nnc(C2CC2)s1 ZINC000894623175 583496614 /nfs/dbraw/zinc/49/66/14/583496614.db2.gz FRQKALYCARXWDN-SSDOTTSWSA-N 0 1 229.324 2.253 20 0 BEADMN C[C@H]1CN(Cc2cnn(C3CCC3)c2)[C@H]1C ZINC000894629202 583496846 /nfs/dbraw/zinc/49/68/46/583496846.db2.gz VXOIBJBSRGVHMC-QWRGUYRKSA-N 0 1 219.332 2.448 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]c(=O)oc32)[C@@H]1C ZINC000894628528 583496969 /nfs/dbraw/zinc/49/69/69/583496969.db2.gz OSRDBOUTCKPJCK-RKDXNWHRSA-N 0 1 232.283 2.374 20 0 BEADMN COCCOc1ccc(CN2C[C@H](C)[C@@H]2C)o1 ZINC000894628167 583497481 /nfs/dbraw/zinc/49/74/81/583497481.db2.gz NQYGJWPDTSXTAJ-QWRGUYRKSA-N 0 1 239.315 2.145 20 0 BEADMN CC[C@@H](CO)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000894664264 583501984 /nfs/dbraw/zinc/50/19/84/583501984.db2.gz SHEMDTRYDAWYRI-ZDUSSCGKSA-N 0 1 248.370 2.163 20 0 BEADMN CC[C@H](CO)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000894664263 583502134 /nfs/dbraw/zinc/50/21/34/583502134.db2.gz SHEMDTRYDAWYRI-CYBMUJFWSA-N 0 1 248.370 2.163 20 0 BEADMN CC1(C)CC2(CC(NC(CF)CF)C2)CO1 ZINC000894665837 583502387 /nfs/dbraw/zinc/50/23/87/583502387.db2.gz AHHOXBWJZSWTAW-UHFFFAOYSA-N 0 1 233.302 2.231 20 0 BEADMN C[C@]1(Br)C[C@@H]1CN1CC[C@H](F)C1 ZINC000894669918 583503039 /nfs/dbraw/zinc/50/30/39/583503039.db2.gz ALOBUJNSEKEGHQ-VGMNWLOBSA-N 0 1 236.128 2.204 20 0 BEADMN CCn1cc(CNCc2ccnc(C)c2)c(C)n1 ZINC000894679353 583505133 /nfs/dbraw/zinc/50/51/33/583505133.db2.gz MXQKPFVNAPWYQE-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN COc1cncc(CN2CCC[C@@H](CF)C2)c1 ZINC000880237698 583505593 /nfs/dbraw/zinc/50/55/93/583505593.db2.gz FMRUVMMRVOFKOC-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN FC[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000880237723 583505867 /nfs/dbraw/zinc/50/58/67/583505867.db2.gz FWFFPBIIFQBARH-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN CCN1CCN(Cc2cc(C)co2)[C@@H](C)C1 ZINC000894746553 583515137 /nfs/dbraw/zinc/51/51/37/583515137.db2.gz SZEYDFJFRCARJS-LBPRGKRZSA-N 0 1 222.332 2.114 20 0 BEADMN CCC1CN(Cc2cnn(C)c2C2CC2)C1 ZINC000894813185 583523617 /nfs/dbraw/zinc/52/36/17/583523617.db2.gz NFGNZYOVNXDXAK-UHFFFAOYSA-N 0 1 219.332 2.139 20 0 BEADMN COCC1(C)CN(Cc2ccc(OC)cc2C)C1 ZINC000894839519 583529225 /nfs/dbraw/zinc/52/92/25/583529225.db2.gz DTXWWULSKNBKFH-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN COCCc1ncc(CN2C[C@@H](C)[C@@H]2C)s1 ZINC000894862197 583535175 /nfs/dbraw/zinc/53/51/75/583535175.db2.gz SZXTVBRIKQVOHY-ZJUUUORDSA-N 0 1 240.372 2.172 20 0 BEADMN C[C@@H]1CN(Cc2cc3c(cc[nH]c3=O)o2)[C@H]1C ZINC000894861477 583536207 /nfs/dbraw/zinc/53/62/07/583536207.db2.gz IGIZZCVFTFPZEB-BDAKNGLRSA-N 0 1 232.283 2.374 20 0 BEADMN C[C@@H]1CN(Cc2c(C3CC3)cnn2C)[C@H]1C ZINC000894861509 583536537 /nfs/dbraw/zinc/53/65/37/583536537.db2.gz JNRPHTYILARTNA-ZJUUUORDSA-N 0 1 219.332 2.138 20 0 BEADMN Cc1[nH]nc(CN2CCC[C@@](C)(F)C2)c1C ZINC000894869002 583539071 /nfs/dbraw/zinc/53/90/71/583539071.db2.gz LDQLGIWRFHEPOI-GFCCVEGCSA-N 0 1 225.311 2.351 20 0 BEADMN CC(C)Oc1ccccc1CN1CC=C[C@H]1CO ZINC000880486220 583544277 /nfs/dbraw/zinc/54/42/77/583544277.db2.gz MHKSNQZUCFFCJU-AWEZNQCLSA-N 0 1 247.338 2.207 20 0 BEADMN COCC(C)(C)CN1CC(C(F)(F)F)C1 ZINC000894891560 583548564 /nfs/dbraw/zinc/54/85/64/583548564.db2.gz ITOMOICHEHLTLX-UHFFFAOYSA-N 0 1 225.254 2.153 20 0 BEADMN C[C@H](C(=O)N(C)C)N1Cc2ccccc2[C@H](C)C1 ZINC000726955931 583550857 /nfs/dbraw/zinc/55/08/57/583550857.db2.gz XBWONEKSQFXQKN-VXGBXAGGSA-N 0 1 246.354 2.082 20 0 BEADMN Cc1ncoc1CN1CCSC[C@@H]1C1CC1 ZINC000894903629 583553192 /nfs/dbraw/zinc/55/31/92/583553192.db2.gz AILPNLPKNGAIPX-LLVKDONJSA-N 0 1 238.356 2.310 20 0 BEADMN COc1ccc(CN[C@@H]2CCCC[C@H]2F)nc1 ZINC000894908723 583554198 /nfs/dbraw/zinc/55/41/98/583554198.db2.gz FSCIQVCPDYZFEC-CHWSQXEVSA-N 0 1 238.306 2.461 20 0 BEADMN COC1([C@H](C)NCc2nccn2C2CC2)CCC1 ZINC000894922328 583556623 /nfs/dbraw/zinc/55/66/23/583556623.db2.gz PUGABFJCJNFQFL-NSHDSACASA-N 0 1 249.358 2.265 20 0 BEADMN CCOc1ccc(CN2C[C@@H](O)CC[C@H]2C)o1 ZINC000894979238 583563143 /nfs/dbraw/zinc/56/31/43/583563143.db2.gz TVNNKFMRENNMQR-MNOVXSKESA-N 0 1 239.315 2.024 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000895009004 583567504 /nfs/dbraw/zinc/56/75/04/583567504.db2.gz MYWVIARAEYSKAX-VHSXEESVSA-N 0 1 223.345 2.125 20 0 BEADMN CC1(C)CCN(CN2CCSC2=O)CC1 ZINC000726964897 583573388 /nfs/dbraw/zinc/57/33/88/583573388.db2.gz JPABQPVODZEIAL-UHFFFAOYSA-N 0 1 228.361 2.235 20 0 BEADMN F[C@@]1(c2ccccc2)C[C@H]1NCc1cnc[nH]1 ZINC000895053582 583574514 /nfs/dbraw/zinc/57/45/14/583574514.db2.gz OIFFKTWROVEUGO-CHWSQXEVSA-N 0 1 231.274 2.137 20 0 BEADMN Cl/C=C\CN1CCC(O[C@H]2CCOC2)CC1 ZINC000749113406 583580908 /nfs/dbraw/zinc/58/09/08/583580908.db2.gz GGPBTVCLWYTGQW-RSUUKKISSA-N 0 1 245.750 2.009 20 0 BEADMN Cl/C=C/CN1CCC(O[C@H]2CCOC2)CC1 ZINC000749113403 583580982 /nfs/dbraw/zinc/58/09/82/583580982.db2.gz GGPBTVCLWYTGQW-FDQQOCSASA-N 0 1 245.750 2.009 20 0 BEADMN Fc1cccnc1CN[C@H]1CCCc2cn[nH]c21 ZINC000857857588 588914438 /nfs/dbraw/zinc/91/44/38/588914438.db2.gz FVWOENKFGKHOMH-NSHDSACASA-N 0 1 246.289 2.111 20 0 BEADMN COc1ccc(N[C@H]2CCCc3cn[nH]c32)nc1 ZINC000857861931 588915382 /nfs/dbraw/zinc/91/53/82/588915382.db2.gz WWTGAQIQTIPILN-NSHDSACASA-N 0 1 244.298 2.303 20 0 BEADMN CCN(Cc1ccc(OC)o1)[C@H]1CCCOC1 ZINC000895151371 583606719 /nfs/dbraw/zinc/60/67/19/583606719.db2.gz HINXAUWFGGLTCY-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CC(F)(F)CN[C@H]1CCCc2cn[nH]c21 ZINC000857867910 588916176 /nfs/dbraw/zinc/91/61/76/588916176.db2.gz MAHHIWWSXXDWSO-QMMMGPOBSA-N 0 1 215.247 2.032 20 0 BEADMN CCC=CCN[C@H]1CCCc2c[nH]nc21 ZINC000857868518 588916395 /nfs/dbraw/zinc/91/63/95/588916395.db2.gz XLFZBSNUVCPQLY-UFFNRZRYSA-N 0 1 205.305 2.343 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCN1CC ZINC000882488358 583618146 /nfs/dbraw/zinc/61/81/46/583618146.db2.gz CNPIFOCCALXJDO-YPMHNXCESA-N 0 1 240.391 2.269 20 0 BEADMN CCC=CCN[C@@H]1CCCc2c[nH]nc21 ZINC000857868517 588917017 /nfs/dbraw/zinc/91/70/17/588917017.db2.gz XLFZBSNUVCPQLY-PGLGOXFNSA-N 0 1 205.305 2.343 20 0 BEADMN CCC(F)(F)CN[C@@H]1CCCc2cn[nH]c21 ZINC000857870300 588917291 /nfs/dbraw/zinc/91/72/91/588917291.db2.gz FBPWPRKEDGHVTI-SECBINFHSA-N 0 1 229.274 2.422 20 0 BEADMN COc1ncccc1CN1[C@@H](C)C[C@@H]1C ZINC000335756883 583631060 /nfs/dbraw/zinc/63/10/60/583631060.db2.gz QWJWPFMNLZRVRA-UWVGGRQHSA-N 0 1 206.289 2.073 20 0 BEADMN CCN1CC[C@H]1CNC(=O)O[C@@H](C)CC(C)C ZINC000882764159 583633213 /nfs/dbraw/zinc/63/32/13/583633213.db2.gz LPEVVOQQEXHIRS-RYUDHWBXSA-N 0 1 242.363 2.241 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCC[C@@H](C)O1 ZINC000895274889 583635557 /nfs/dbraw/zinc/63/55/57/583635557.db2.gz PBVNWCSQOMIHQV-MWLCHTKSSA-N 0 1 224.304 2.030 20 0 BEADMN CCOc1ccc(CN[C@@H]2COC(C)(C)C2)o1 ZINC000895306871 583645066 /nfs/dbraw/zinc/64/50/66/583645066.db2.gz QSUCNMIFFUGBNT-JTQLQIEISA-N 0 1 239.315 2.335 20 0 BEADMN CC1=NO[C@@H](CNCc2ccc(F)cc2)C1 ZINC000895309336 583646579 /nfs/dbraw/zinc/64/65/79/583646579.db2.gz AHDDPFWUKPTVCY-GFCCVEGCSA-N 0 1 222.263 2.080 20 0 BEADMN CC1=NO[C@H](CNCc2ccsc2)C1 ZINC000895309344 583646774 /nfs/dbraw/zinc/64/67/74/583646774.db2.gz ASGGSQLPXJRJKE-JTQLQIEISA-N 0 1 210.302 2.003 20 0 BEADMN CO[C@@H](CNCc1ocnc1C)C1CCCC1 ZINC000895336819 583653765 /nfs/dbraw/zinc/65/37/65/583653765.db2.gz UQUIGGTZYUCFJD-ZDUSSCGKSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1[nH]nc(CN(C)CC2=CCSC2)c1C ZINC000895349446 583656292 /nfs/dbraw/zinc/65/62/92/583656292.db2.gz GMIOKVAIDHQIOL-UHFFFAOYSA-N 0 1 237.372 2.132 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000895448120 583675759 /nfs/dbraw/zinc/67/57/59/583675759.db2.gz YLFLPSBBBWMRBG-GHMZBOCLSA-N 0 1 226.364 2.164 20 0 BEADMN Cc1n[nH]c(CN2CCC(C)(F)CC2)c1C ZINC000895447564 583675950 /nfs/dbraw/zinc/67/59/50/583675950.db2.gz ONAALCWUTRSZBT-UHFFFAOYSA-N 0 1 225.311 2.351 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895462752 583678372 /nfs/dbraw/zinc/67/83/72/583678372.db2.gz WGTRIFPWLMBYCW-NEPJUHHUSA-N 0 1 238.375 2.260 20 0 BEADMN Cc1ncoc1CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000895475618 583679798 /nfs/dbraw/zinc/67/97/98/583679798.db2.gz YRMWMMWMNAGSRH-WOPDTQHZSA-N 0 1 236.315 2.030 20 0 BEADMN COC(=O)CC(C)(C)CNc1cc(C)ccn1 ZINC000895507022 583681379 /nfs/dbraw/zinc/68/13/79/583681379.db2.gz XETJOWIBLMPSHL-UHFFFAOYSA-N 0 1 236.315 2.391 20 0 BEADMN CCn1cc(CN2CC(CC3CC3)C2)c(C)n1 ZINC000895516267 583682867 /nfs/dbraw/zinc/68/28/67/583682867.db2.gz QZQQDBQYARLUND-UHFFFAOYSA-N 0 1 233.359 2.443 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCC(C)(C)CO1 ZINC000895529823 583684999 /nfs/dbraw/zinc/68/49/99/583684999.db2.gz XDPYFDNXSDFQPD-LLVKDONJSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1oc(C(C)(C)C)cc1CNCc1c[nH]nn1 ZINC000895530395 583685066 /nfs/dbraw/zinc/68/50/66/583685066.db2.gz HXEKGCRDRFMXSW-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN FC1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000895548695 583687063 /nfs/dbraw/zinc/68/70/63/583687063.db2.gz BARKUBDOAKPVRD-UHFFFAOYSA-N 0 1 233.290 2.497 20 0 BEADMN COc1ncc(CN2CCC[C@@H](CF)C2)s1 ZINC000895545743 583689845 /nfs/dbraw/zinc/68/98/45/583689845.db2.gz WQPOURPSMYSTMK-VIFPVBQESA-N 0 1 244.335 2.333 20 0 BEADMN CCn1nccc1CN1CCC[C@H](CF)C1 ZINC000895546291 583689990 /nfs/dbraw/zinc/68/99/90/583689990.db2.gz ZCSGZCYAZFKEFA-LLVKDONJSA-N 0 1 225.311 2.085 20 0 BEADMN FC[C@@H]1CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000895574230 583693141 /nfs/dbraw/zinc/69/31/41/583693141.db2.gz VHLMDHVJGWEYFY-NSHDSACASA-N 0 1 233.290 2.126 20 0 BEADMN Cc1nc(F)ccc1CN1CC[C@@H](CF)C1 ZINC000895574577 583693339 /nfs/dbraw/zinc/69/33/39/583693339.db2.gz WZTZKEOGIDDARQ-JTQLQIEISA-N 0 1 226.270 2.321 20 0 BEADMN CO[C@]1(C(F)(F)F)CC[N@@H+](CC2(C)CC2)C1 ZINC000895577586 583693595 /nfs/dbraw/zinc/69/35/95/583693595.db2.gz NZYYLNWXZLPRNC-SNVBAGLBSA-N 0 1 237.265 2.440 20 0 BEADMN CCCn1nccc1CN1CC[C@@H](CF)C1 ZINC000895566808 583693756 /nfs/dbraw/zinc/69/37/56/583693756.db2.gz DDTXBOOSVJAAKD-NSHDSACASA-N 0 1 225.311 2.085 20 0 BEADMN c1cnc(C2(NCCC[C@@H]3CCO3)CCC2)nc1 ZINC000895623122 583697828 /nfs/dbraw/zinc/69/78/28/583697828.db2.gz NKPQHOREVDBWHW-GFCCVEGCSA-N 0 1 247.342 2.015 20 0 BEADMN CC(C)([NH2+]Cc1c[nH]cn1)[C@@H](O)c1ccccc1 ZINC000895663632 583702650 /nfs/dbraw/zinc/70/26/50/583702650.db2.gz ZGCQKBOKNZYNPU-ZDUSSCGKSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1cc(Cl)cc(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651862 583703171 /nfs/dbraw/zinc/70/31/71/583703171.db2.gz CVQGNKHJAKFPGE-DGCLKSJQSA-N 0 1 237.730 2.215 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000895676737 583704713 /nfs/dbraw/zinc/70/47/13/583704713.db2.gz CTXPNBDQNOFDGS-NSHDSACASA-N 0 1 236.315 2.174 20 0 BEADMN C[C@@H]1[C@H](Nc2ccnc(C(C)(C)C)n2)CC[N@H+]1C ZINC000895737136 583717820 /nfs/dbraw/zinc/71/78/20/583717820.db2.gz RSJDJLXAWIAKQK-GHMZBOCLSA-N 0 1 248.374 2.279 20 0 BEADMN C[C@H]1[C@@H](Nc2ccnc(C(C)(C)C)n2)CC[N@H+]1C ZINC000895737138 583718584 /nfs/dbraw/zinc/71/85/84/583718584.db2.gz RSJDJLXAWIAKQK-QWRGUYRKSA-N 0 1 248.374 2.279 20 0 BEADMN Cc1cc(CNC2(C)COC2)c2c(n1)CCCC2 ZINC000895752569 583720128 /nfs/dbraw/zinc/72/01/28/583720128.db2.gz ARKFKTWVKGMRDY-UHFFFAOYSA-N 0 1 246.354 2.147 20 0 BEADMN C[C@H](C[C@H]1CCOC1)N[C@H](C)c1ncco1 ZINC000895764505 583722434 /nfs/dbraw/zinc/72/24/34/583722434.db2.gz IFIXEXFKEWMADV-GMTAPVOTSA-N 0 1 224.304 2.140 20 0 BEADMN Cc1nc(NC[C@@H]2CCN2C)nc2ccccc12 ZINC000895768844 583723909 /nfs/dbraw/zinc/72/39/09/583723909.db2.gz IYFWJPRXICNTLZ-NSHDSACASA-N 0 1 242.326 2.054 20 0 BEADMN C[N@H+]1CC[C@@H]1CNc1ccc2ccc(F)cc2n1 ZINC000895771247 583724813 /nfs/dbraw/zinc/72/48/13/583724813.db2.gz JBVLKYWPUUSQFF-GFCCVEGCSA-N 0 1 245.301 2.490 20 0 BEADMN Cc1ccc2oc(NC[C@@H]3CC[N@@H+]3C)nc2c1 ZINC000895771651 583725537 /nfs/dbraw/zinc/72/55/37/583725537.db2.gz OCIQLTTUGDBJRE-JTQLQIEISA-N 0 1 231.299 2.252 20 0 BEADMN Cc1ccc2oc(NC[C@@H]3CCN3C)nc2c1 ZINC000895771651 583725538 /nfs/dbraw/zinc/72/55/38/583725538.db2.gz OCIQLTTUGDBJRE-JTQLQIEISA-N 0 1 231.299 2.252 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2COC(C)(C)C2)n1 ZINC000883164853 583730387 /nfs/dbraw/zinc/73/03/87/583730387.db2.gz PNAKSMILZNPTEU-JTQLQIEISA-N 0 1 237.347 2.190 20 0 BEADMN C[C@@H](CNC(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000895869615 583738214 /nfs/dbraw/zinc/73/82/14/583738214.db2.gz GIEKXGNHWPMPMW-CMPLNLGQSA-N 0 1 238.375 2.022 20 0 BEADMN CN(CCCF)Cc1c(C2CCC2)cnn1C ZINC000895895934 583743212 /nfs/dbraw/zinc/74/32/12/583743212.db2.gz IQUYJZRSWQYPHK-UHFFFAOYSA-N 0 1 239.338 2.479 20 0 BEADMN COc1cccc(OC)c1CN(C)CCCF ZINC000895896095 583743258 /nfs/dbraw/zinc/74/32/58/583743258.db2.gz MBEVILREJLKWQC-UHFFFAOYSA-N 0 1 241.306 2.495 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2ccc(F)nc2)C1 ZINC000895926003 583747673 /nfs/dbraw/zinc/74/76/73/583747673.db2.gz ASZYXZDAVVEJTJ-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)OC1CN(CC2CCSCC2)C1 ZINC000895956786 583752549 /nfs/dbraw/zinc/75/25/49/583752549.db2.gz TWGJVDOHUNDOEE-UHFFFAOYSA-N 0 1 229.389 2.239 20 0 BEADMN CCc1cccc(F)c1CN1CC(COC)C1 ZINC000895969690 583755341 /nfs/dbraw/zinc/75/53/41/583755341.db2.gz KPACIZUHBLRVCA-UHFFFAOYSA-N 0 1 237.318 2.466 20 0 BEADMN COCC1CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000895972403 583756799 /nfs/dbraw/zinc/75/67/99/583756799.db2.gz XPSKIZUXLLBGCO-ZWNOBZJWSA-N 0 1 235.327 2.481 20 0 BEADMN Cc1oc(C(C)(C)C)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000896022507 583764546 /nfs/dbraw/zinc/76/45/46/583764546.db2.gz UEKBKFABELJGAV-WFASDCNBSA-N 0 1 249.354 2.452 20 0 BEADMN CN(CCCF)Cc1cnn(C)c1C1CC1 ZINC000896070280 583767896 /nfs/dbraw/zinc/76/78/96/583767896.db2.gz SUDKSRUSGFROIS-UHFFFAOYSA-N 0 1 225.311 2.089 20 0 BEADMN COc1ccc(CN(C)CCCF)o1 ZINC000896070080 583768051 /nfs/dbraw/zinc/76/80/51/583768051.db2.gz OJAIVWNEPUIQEG-UHFFFAOYSA-N 0 1 201.241 2.080 20 0 BEADMN COc1ccc(C[N@H+]2C[C@H](OC)CC[C@H]2C)o1 ZINC000896076932 583768709 /nfs/dbraw/zinc/76/87/09/583768709.db2.gz VIRCHJCPEMXDSO-GHMZBOCLSA-N 0 1 239.315 2.288 20 0 BEADMN COc1ccc(CN2C[C@H](OC)CC[C@H]2C)o1 ZINC000896076932 583768710 /nfs/dbraw/zinc/76/87/10/583768710.db2.gz VIRCHJCPEMXDSO-GHMZBOCLSA-N 0 1 239.315 2.288 20 0 BEADMN CC[C@H]1CCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896132233 583774545 /nfs/dbraw/zinc/77/45/45/583774545.db2.gz LTTBSSTXKSTEON-RYUDHWBXSA-N 0 1 238.375 2.260 20 0 BEADMN CCC[C@@H](O)CCNc1cc(C)ccn1 ZINC000896187936 583781603 /nfs/dbraw/zinc/78/16/03/583781603.db2.gz WMPQPGPCWGLRPO-LLVKDONJSA-N 0 1 208.305 2.353 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ncnc3[nH]cnc32)CCS1 ZINC000896244232 583784284 /nfs/dbraw/zinc/78/42/84/583784284.db2.gz GJYICEQLOVLUFB-SFYZADRCSA-N 0 1 249.343 2.049 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC[C@H]1CC1(C)C ZINC000896328771 583794831 /nfs/dbraw/zinc/79/48/31/583794831.db2.gz SWXHDXMDVCXSLD-MNOVXSKESA-N 0 1 238.375 2.022 20 0 BEADMN CO[C@]12CCC[C@@]1(NCc1ccoc1)CCO2 ZINC000896413498 583801340 /nfs/dbraw/zinc/80/13/40/583801340.db2.gz PLYYBZJUBNNDRJ-OLZOCXBDSA-N 0 1 237.299 2.055 20 0 BEADMN Cn1ccc(C2CCN(CC3(F)CC3)CC2)n1 ZINC000896494996 583806772 /nfs/dbraw/zinc/80/67/72/583806772.db2.gz KCEXDYGQSSISBT-UHFFFAOYSA-N 0 1 237.322 2.102 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C2(C3CC3)CC2)n1 ZINC000885732417 588924541 /nfs/dbraw/zinc/92/45/41/588924541.db2.gz RZVAZLTZUASMKO-UHFFFAOYSA-N 0 1 249.314 2.162 20 0 BEADMN CC(C)c1nc(COC(=O)C2(C3CC3)CC2)n[nH]1 ZINC000885732417 588924542 /nfs/dbraw/zinc/92/45/42/588924542.db2.gz RZVAZLTZUASMKO-UHFFFAOYSA-N 0 1 249.314 2.162 20 0 BEADMN c1nc2c(ncnc2NCC2CCC=CCC2)[nH]1 ZINC000896550986 583810988 /nfs/dbraw/zinc/81/09/88/583810988.db2.gz HYCPEUNLHWBBDK-UHFFFAOYSA-N 0 1 243.314 2.463 20 0 BEADMN C[C@H]1CCN(Cc2cc3cnccc3o2)CCO1 ZINC000896576746 583813450 /nfs/dbraw/zinc/81/34/50/583813450.db2.gz DVPWVJFQHKRQOT-NSHDSACASA-N 0 1 246.310 2.439 20 0 BEADMN c1cnc([C@H](NC[C@@H]2CCC=CO2)C2CC2)nc1 ZINC000896599382 583816551 /nfs/dbraw/zinc/81/65/51/583816551.db2.gz QWTBQFFHXCRPNE-QWHCGFSZSA-N 0 1 245.326 2.210 20 0 BEADMN CCC[C@H](CN[C@@H](c1ncccn1)C1CC1)OC ZINC000896598263 583816734 /nfs/dbraw/zinc/81/67/34/583816734.db2.gz GNQVXHFUBVSGIV-CHWSQXEVSA-N 0 1 249.358 2.332 20 0 BEADMN C[C@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCCN2C)C1 ZINC000896656237 583821501 /nfs/dbraw/zinc/82/15/01/583821501.db2.gz GLKJGBLLAUEDEW-AVGNSLFASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)[C@@H](CN1CCn2cccc2C1)OC ZINC000896761059 583831046 /nfs/dbraw/zinc/83/10/46/583831046.db2.gz JIBHWLCSJWPPKC-GXTWGEPZSA-N 0 1 236.359 2.365 20 0 BEADMN C[C@@H]1CCc2n[nH]c(C(=O)NCC3(C)CC3)c2C1 ZINC000896833866 583838283 /nfs/dbraw/zinc/83/82/83/583838283.db2.gz YFZKDBKWTUIMCL-SECBINFHSA-N 0 1 247.342 2.064 20 0 BEADMN Cc1nc(CNC(=O)C=C2CC[C@@H](C)C2)[nH]c1C ZINC000896916365 583854877 /nfs/dbraw/zinc/85/48/77/583854877.db2.gz DEWCTYRHERZCCG-JBBGTMGVSA-N 0 1 247.342 2.389 20 0 BEADMN FC1(C2CC2)CCN(Cc2cncnc2)CC1 ZINC000896946104 583863700 /nfs/dbraw/zinc/86/37/00/583863700.db2.gz GHPOSAIZSBVKHR-UHFFFAOYSA-N 0 1 235.306 2.191 20 0 BEADMN OC1(C2CCC2)CCN(CC2(F)CC2)CC1 ZINC000897036121 583872565 /nfs/dbraw/zinc/87/25/65/583872565.db2.gz JNGUUOXCMYICRE-UHFFFAOYSA-N 0 1 227.323 2.116 20 0 BEADMN CCO[C@H]1CCN(Cc2cncn2C(C)C)C1 ZINC000897067823 583876960 /nfs/dbraw/zinc/87/69/60/583876960.db2.gz NZWNSXIKBIDMQI-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CCO[C@H]1CCN(Cc2cnn(C(C)C)c2)C1 ZINC000897069205 583877027 /nfs/dbraw/zinc/87/70/27/583877027.db2.gz RWNPUWUVILHKTG-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN CCO[C@H]1CCN(Cc2ccc(COC)o2)C1 ZINC000897069237 583877050 /nfs/dbraw/zinc/87/70/50/583877050.db2.gz TXQCAWBQWQWCNJ-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1CCC1 ZINC000897217520 583897011 /nfs/dbraw/zinc/89/70/11/583897011.db2.gz DNVYADUSPGJVHF-PWSUYJOCSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc[nH]1 ZINC000897246393 583902273 /nfs/dbraw/zinc/90/22/73/583902273.db2.gz HPAVBGKXXIROBQ-CMPLNLGQSA-N 0 1 249.358 2.065 20 0 BEADMN C[C@@H]1C[C@@H]1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897304324 583912663 /nfs/dbraw/zinc/91/26/63/583912663.db2.gz BGACQHYVCVMGRN-RKDXNWHRSA-N 0 1 241.281 2.459 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1CC1CC1 ZINC000871943717 583943572 /nfs/dbraw/zinc/94/35/72/583943572.db2.gz QQGMQUTZPDRKFP-UHFFFAOYSA-N 0 1 206.289 2.175 20 0 BEADMN O=C(OCC(F)F)c1cc(-c2ccco2)n[nH]1 ZINC000729074572 583950939 /nfs/dbraw/zinc/95/09/39/583950939.db2.gz NSZUJFWVEGYZDJ-UHFFFAOYSA-N 0 1 242.181 2.092 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1c[nH]c2ccccc12 ZINC000888113221 583963064 /nfs/dbraw/zinc/96/30/64/583963064.db2.gz DCUGQAPESXYHRP-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN CCC[C@H](CNCc1ccc(C)nn1)OCC ZINC000858210748 588938897 /nfs/dbraw/zinc/93/88/97/588938897.db2.gz XWVDTAXAXYQEPB-CYBMUJFWSA-N 0 1 237.347 2.080 20 0 BEADMN Cc1csc(CN[C@@]23C[C@@H]2COC3(C)C)n1 ZINC000858229787 588939946 /nfs/dbraw/zinc/93/99/46/588939946.db2.gz GMYCDPQQDXAUAW-SKDRFNHKSA-N 0 1 238.356 2.109 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000897512245 583999312 /nfs/dbraw/zinc/99/93/12/583999312.db2.gz RUGLKGONGZGFJO-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN Cl/C=C/C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932030 584030380 /nfs/dbraw/zinc/03/03/80/584030380.db2.gz SXKNIFONDUNLMI-JRBALWBOSA-N 0 1 225.723 2.273 20 0 BEADMN CC1(C)C[C@@H](NCc2csnn2)CCS1 ZINC000897798329 584049308 /nfs/dbraw/zinc/04/93/08/584049308.db2.gz QSJWJZDXXWNNGJ-QMMMGPOBSA-N 0 1 243.401 2.302 20 0 BEADMN C[C@@H](NCc1cnn2c1CCC2)c1cncs1 ZINC000897930567 584061463 /nfs/dbraw/zinc/06/14/63/584061463.db2.gz QZSYVBKANCQVSF-SECBINFHSA-N 0 1 248.355 2.137 20 0 BEADMN C[C@@H](NCc1cnc(N)s1)c1cncs1 ZINC000897935140 584062124 /nfs/dbraw/zinc/06/21/24/584062124.db2.gz TWJNWEMGTLDQSZ-ZCFIWIBFSA-N 0 1 240.357 2.033 20 0 BEADMN Cc1cnc(CN[C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000897958812 584066971 /nfs/dbraw/zinc/06/69/71/584066971.db2.gz NVAODWOQYUCDFF-OUAUKWLOSA-N 0 1 206.289 2.261 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1CC1(C)C ZINC000897988434 584072005 /nfs/dbraw/zinc/07/20/05/584072005.db2.gz QFCBGSAKOFCHHR-UTUOFQBUSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCN1C)[C@H]1CC1(C)C ZINC000897988431 584072306 /nfs/dbraw/zinc/07/23/06/584072306.db2.gz QFCBGSAKOFCHHR-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cc(CNC[C@]23C[C@H]2COC32CCC2)no1 ZINC000898061616 584081142 /nfs/dbraw/zinc/08/11/42/584081142.db2.gz FOWYOJSXSSOHEL-WCQYABFASA-N 0 1 248.326 2.032 20 0 BEADMN O[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1F ZINC000898189875 584094974 /nfs/dbraw/zinc/09/49/74/584094974.db2.gz XCCKARRQJOIHBO-AJNGGQMLSA-N 0 1 249.329 2.195 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1F ZINC000898189118 584095083 /nfs/dbraw/zinc/09/50/83/584095083.db2.gz XCCKARRQJOIHBO-LJISPDSOSA-N 0 1 249.329 2.195 20 0 BEADMN CCn1cc(CN2CCCC3(CCCC3)C2)nn1 ZINC000898279306 584105539 /nfs/dbraw/zinc/10/55/39/584105539.db2.gz AYBHZKLVHGUFRQ-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1nc(C(C)(C)C)co1 ZINC000898301988 584108766 /nfs/dbraw/zinc/10/87/66/584108766.db2.gz NAQHCQQFOCHZBG-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CSCC(C)(C)NCc1cn(C)nc1Cl ZINC000898304777 584109081 /nfs/dbraw/zinc/10/90/81/584109081.db2.gz KMFZJKUTRXNEKW-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN C[C@@H]1[C@@H](C)N(c2nc(Cl)cs2)CCN1C ZINC000858466044 588957593 /nfs/dbraw/zinc/95/75/93/588957593.db2.gz UPMLSDDICOXHEP-HTQZYQBOSA-N 0 1 245.779 2.325 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898375692 584113506 /nfs/dbraw/zinc/11/35/06/584113506.db2.gz GPLGXOWBIKXJAP-STQMWFEESA-N 0 1 248.326 2.067 20 0 BEADMN c1nc(C2CC2)oc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898375690 584113509 /nfs/dbraw/zinc/11/35/09/584113509.db2.gz GPLGXOWBIKXJAP-OLZOCXBDSA-N 0 1 248.326 2.067 20 0 BEADMN C[C@H]1CCC[C@H](C)N1CC(N)=NOC1CCC1 ZINC000842048634 584117207 /nfs/dbraw/zinc/11/72/07/584117207.db2.gz JEGHOXGTUVDWIB-QWRGUYRKSA-N 0 1 239.363 2.300 20 0 BEADMN Cc1cc(CNC/C=C\Cl)cnc1F ZINC000898424294 584132032 /nfs/dbraw/zinc/13/20/32/584132032.db2.gz DPDHMUCCACPBJW-IHWYPQMZSA-N 0 1 214.671 2.371 20 0 BEADMN CC(C)n1cncc1CNC/C=C/Cl ZINC000898426833 584132084 /nfs/dbraw/zinc/13/20/84/584132084.db2.gz AKIFOSXTZHAEGX-ONEGZZNKSA-N 0 1 213.712 2.306 20 0 BEADMN Cl/C=C\CN[C@H]1CCc2cccnc21 ZINC000898424040 584132191 /nfs/dbraw/zinc/13/21/91/584132191.db2.gz AMXANFICDHVEQS-RILPQGNRSA-N 0 1 208.692 2.411 20 0 BEADMN Cc1ncc([C@@H](C)NC/C=C/Cl)c(C)n1 ZINC000898429093 584133792 /nfs/dbraw/zinc/13/37/92/584133792.db2.gz REJVLUTWVYFZGI-WTSVBCDHSA-N 0 1 225.723 2.497 20 0 BEADMN CC(=O)Nc1cccc(CNC/C=C\Cl)c1 ZINC000898430185 584134355 /nfs/dbraw/zinc/13/43/55/584134355.db2.gz WJBHQMPSZRHHOP-UTCJRWHESA-N 0 1 238.718 2.487 20 0 BEADMN CC(C)n1cc(CNC/C=C/Cl)cn1 ZINC000898435637 584136131 /nfs/dbraw/zinc/13/61/31/584136131.db2.gz KLRRSXVFIMUAOD-ONEGZZNKSA-N 0 1 213.712 2.306 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@H]1C[C@@H]1C(F)F ZINC000898572584 584142096 /nfs/dbraw/zinc/14/20/96/584142096.db2.gz AFQFQBJAHVJBCG-IUCAKERBSA-N 0 1 245.200 2.137 20 0 BEADMN CC1(C(=O)NOc2ccc(F)cc2)CCC1 ZINC000898572696 584142237 /nfs/dbraw/zinc/14/22/37/584142237.db2.gz BWSUAEXNNCVUJT-UHFFFAOYSA-N 0 1 223.247 2.426 20 0 BEADMN CCC[C@H](C)CC(=O)N1CC(N2CCCC2)C1 ZINC000898612449 584146625 /nfs/dbraw/zinc/14/66/25/584146625.db2.gz FUIZRSAHGCZBQD-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000898788493 584159503 /nfs/dbraw/zinc/15/95/03/584159503.db2.gz QNKIEWNLLSBXDK-VXGBXAGGSA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC1CC(C)(C)C1 ZINC000898986783 584168415 /nfs/dbraw/zinc/16/84/15/584168415.db2.gz IGRPWNANGMJSKK-LLVKDONJSA-N 0 1 238.375 2.164 20 0 BEADMN O=C(CCC1CCC1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899104893 584175382 /nfs/dbraw/zinc/17/53/82/584175382.db2.gz YQDFHCVOCWOLEJ-NSHDSACASA-N 0 1 248.330 2.049 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899103981 584175599 /nfs/dbraw/zinc/17/55/99/584175599.db2.gz LEIBCIOINLKOIC-UQSGXBNBSA-N 0 1 248.330 2.215 20 0 BEADMN CCn1cc(-c2nc3cc(C)c(F)cc3[nH]2)nn1 ZINC000899259450 584189935 /nfs/dbraw/zinc/18/99/35/584189935.db2.gz GFKANIPWTSNJIN-UHFFFAOYSA-N 0 1 245.261 2.289 20 0 BEADMN NCc1ncc(-c2ccc(OC3CC3)cc2)cn1 ZINC000899323942 584196805 /nfs/dbraw/zinc/19/68/05/584196805.db2.gz WCCSCVFLAWPZOW-UHFFFAOYSA-N 0 1 241.294 2.144 20 0 BEADMN CC(C)(C)Cn1[nH]c(C2CCOCC2)cc1=O ZINC000899347114 584199169 /nfs/dbraw/zinc/19/91/69/584199169.db2.gz IQIDHYWJXHAFBT-UHFFFAOYSA-N 0 1 238.331 2.047 20 0 BEADMN CCC1=NN([C@@H]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000899360005 584206594 /nfs/dbraw/zinc/20/65/94/584206594.db2.gz IITPFODNPFWPMO-VLEAKVRGSA-N 0 1 238.331 2.187 20 0 BEADMN CCc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1C ZINC000899360005 584206596 /nfs/dbraw/zinc/20/65/96/584206596.db2.gz IITPFODNPFWPMO-VLEAKVRGSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1cn[nH]c1C[S@@](=O)Cc1ccsc1 ZINC000899434101 584215570 /nfs/dbraw/zinc/21/55/70/584215570.db2.gz RFSPMCNAQZRDQT-HNNXBMFYSA-N 0 1 240.353 2.229 20 0 BEADMN c1c([C@H]2CCCCN2)nnn1C1CCCC1 ZINC000899725754 584229700 /nfs/dbraw/zinc/22/97/00/584229700.db2.gz ZUHMSGRCRWOPPQ-LLVKDONJSA-N 0 1 220.320 2.208 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1cn(CC)nn1 ZINC000899871444 584244536 /nfs/dbraw/zinc/24/45/36/584244536.db2.gz LZQKLCNRHDBABZ-LLVKDONJSA-N 0 1 224.352 2.309 20 0 BEADMN CCn1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nn1 ZINC000899874518 584245355 /nfs/dbraw/zinc/24/53/55/584245355.db2.gz YMXIKGGNQXCHAG-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CC1(c2nc([C@@H]3CCCN3)no2)CC=CC1 ZINC000900010897 584266139 /nfs/dbraw/zinc/26/61/39/584266139.db2.gz YTICSFUEAUFHTD-VIFPVBQESA-N 0 1 219.288 2.102 20 0 BEADMN CC(C)(C)CC(C)(C)NC(=O)Cc1cnc[nH]1 ZINC000900093419 584272717 /nfs/dbraw/zinc/27/27/17/584272717.db2.gz YHPJXRQKZNCRET-UHFFFAOYSA-N 0 1 237.347 2.283 20 0 BEADMN O=C(Cc1cnc[nH]1)NCCC1CCCCC1 ZINC000900162969 584281163 /nfs/dbraw/zinc/28/11/63/584281163.db2.gz FZVWKMMUNUSFNI-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C1CCCC1 ZINC000900312249 584293911 /nfs/dbraw/zinc/29/39/11/584293911.db2.gz ASTCMZSXNPSKOJ-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN CCC[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900555860 584323077 /nfs/dbraw/zinc/32/30/77/584323077.db2.gz GYHOBPQIFRKPSX-DGCLKSJQSA-N 0 1 249.358 2.427 20 0 BEADMN CCCCN(C(=O)Cc1c[nH]cn1)[C@H](C)CC ZINC000900631504 584334332 /nfs/dbraw/zinc/33/43/32/584334332.db2.gz MBPUDFIECIBZSN-LLVKDONJSA-N 0 1 237.347 2.379 20 0 BEADMN C[C@H]1CCC[C@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC000900733159 584346891 /nfs/dbraw/zinc/34/68/91/584346891.db2.gz ZCRWBOPIZFXDFF-NWDGAFQWSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)(NC(=O)Cc1cnc[nH]1)c1cccs1 ZINC000900742164 584348348 /nfs/dbraw/zinc/34/83/48/584348348.db2.gz QVOZVOCEOXLQMO-UHFFFAOYSA-N 0 1 249.339 2.065 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCC2(CCCC2)CC1 ZINC000900785174 584351726 /nfs/dbraw/zinc/35/17/26/584351726.db2.gz YDUYQOBWUSJTDS-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN C[C@@H]1CC(NC(=O)c2[nH]ncc2F)C[C@@H](C)C1 ZINC000900796155 584352377 /nfs/dbraw/zinc/35/23/77/584352377.db2.gz WFDVCAYZWCUVKU-YUMQZZPRSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900806911 584353566 /nfs/dbraw/zinc/35/35/66/584353566.db2.gz OGYJYAPCUJXFIM-GHMZBOCLSA-N 0 1 235.331 2.037 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900806922 584353706 /nfs/dbraw/zinc/35/37/06/584353706.db2.gz OGYJYAPCUJXFIM-WDEREUQCSA-N 0 1 235.331 2.037 20 0 BEADMN CC(C)(C)c1cc[nH+]c(N2CCC[C@H]2C(=O)[O-])c1 ZINC000900941117 584368295 /nfs/dbraw/zinc/36/82/95/584368295.db2.gz ONARQOQWXRUCFW-NSHDSACASA-N 0 1 248.326 2.433 20 0 BEADMN c1c(CN2CCCC2)onc1[C@@H]1CCCO1 ZINC000901394007 584437791 /nfs/dbraw/zinc/43/77/91/584437791.db2.gz FETHCPOHKYMVMW-LBPRGKRZSA-N 0 1 222.288 2.122 20 0 BEADMN Cc1nc2sccn2c1-c1cc([C@@H](C)N)on1 ZINC000901406003 584439700 /nfs/dbraw/zinc/43/97/00/584439700.db2.gz BRWQNHWRQRRQRB-ZCFIWIBFSA-N 0 1 248.311 2.379 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000901426235 584442384 /nfs/dbraw/zinc/44/23/84/584442384.db2.gz FCNRLKXYAPXLMI-ZYHUDNBSSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000901426233 584442615 /nfs/dbraw/zinc/44/26/15/584442615.db2.gz FCNRLKXYAPXLMI-JQWIXIFHSA-N 0 1 225.332 2.385 20 0 BEADMN CC1(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)CCCC1 ZINC000901520649 584458062 /nfs/dbraw/zinc/45/80/62/584458062.db2.gz YGQRYJIICVFLHX-LBPRGKRZSA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000901522199 584458479 /nfs/dbraw/zinc/45/84/79/584458479.db2.gz MVXRKGFTCUAVFU-JTQLQIEISA-N 0 1 243.322 2.311 20 0 BEADMN CC(C)C(C[N@H+]1CC[C@@](F)(C(=O)[O-])C1)C(C)C ZINC000901515584 584461757 /nfs/dbraw/zinc/46/17/57/584461757.db2.gz CDYRQJYFIGKMBO-ZDUSSCGKSA-N 0 1 245.338 2.413 20 0 BEADMN CC[C@H](C)[C@H](C[N@H+](CC(=O)[O-])CC(C)C)OC ZINC000901585850 584467695 /nfs/dbraw/zinc/46/76/95/584467695.db2.gz AOTWGLUMKIPYMU-RYUDHWBXSA-N 0 1 245.363 2.090 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc2c1CCC2 ZINC000901601432 584468495 /nfs/dbraw/zinc/46/84/95/584468495.db2.gz FMULZCJCYFEBKL-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901677209 584476605 /nfs/dbraw/zinc/47/66/05/584476605.db2.gz SSZOTPODXKYOHR-IINYFYTJSA-N 0 1 245.322 2.399 20 0 BEADMN Cc1ccc(CSCc2n[nH]c(C)n2)o1 ZINC000901671747 584478404 /nfs/dbraw/zinc/47/84/04/584478404.db2.gz JCQFFSFDUYIGTH-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901890485 584501756 /nfs/dbraw/zinc/50/17/56/584501756.db2.gz JWKRYSBMOHAGTB-WDEREUQCSA-N 0 1 245.388 2.172 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901898668 584504733 /nfs/dbraw/zinc/50/47/33/584504733.db2.gz BBQIGIQSUXGHCW-QWHCGFSZSA-N 0 1 249.310 2.131 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc2[nH]ccc2c1 ZINC000901976593 584508041 /nfs/dbraw/zinc/50/80/41/584508041.db2.gz LBPGULKNHRMWOO-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN CCc1cc(CNC(=O)OCCC(C)C)n[nH]1 ZINC000858997423 588989346 /nfs/dbraw/zinc/98/93/46/588989346.db2.gz NRDUJIBZEBSXMG-UHFFFAOYSA-N 0 1 239.319 2.244 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc2cnccc2o1 ZINC000901977810 584508863 /nfs/dbraw/zinc/50/88/63/584508863.db2.gz VNAVRDRNOWJYSI-UHFFFAOYSA-N 0 1 248.282 2.123 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000901971657 584509118 /nfs/dbraw/zinc/50/91/18/584509118.db2.gz NKTPQRPSRIRKMI-UHFFFAOYSA-N 0 1 244.294 2.217 20 0 BEADMN CC[C@H](C)[C@H](C[N@@H+](CC(=O)[O-])[C@@H](C)CC)OC ZINC000901986270 584509934 /nfs/dbraw/zinc/50/99/34/584509934.db2.gz VJFKVWGHWFZVDG-SRVKXCTJSA-N 0 1 245.363 2.233 20 0 BEADMN CSc1ccc(C[N@H+](CC(=O)[O-])C(C)C)o1 ZINC000901978356 584511274 /nfs/dbraw/zinc/51/12/74/584511274.db2.gz ZIGRDUIAXKNXMH-UHFFFAOYSA-N 0 1 243.328 2.297 20 0 BEADMN CSc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)o1 ZINC000901978356 584511276 /nfs/dbraw/zinc/51/12/76/584511276.db2.gz ZIGRDUIAXKNXMH-UHFFFAOYSA-N 0 1 243.328 2.297 20 0 BEADMN O=C([O-])C[N@@H+](CC1CCSCC1)C1CCC1 ZINC000902044651 584516080 /nfs/dbraw/zinc/51/60/80/584516080.db2.gz IAGRFPCQXCZOJM-UHFFFAOYSA-N 0 1 243.372 2.069 20 0 BEADMN CCC1CCC(N(C)CN2CCOC2=O)CC1 ZINC000902076829 584520492 /nfs/dbraw/zinc/52/04/92/584520492.db2.gz AULOEYACORFKDH-UHFFFAOYSA-N 0 1 240.347 2.297 20 0 BEADMN CNc1ccccc1CNCc1c[nH]nc1C ZINC000902064557 584522478 /nfs/dbraw/zinc/52/24/78/584522478.db2.gz VGDWIPJNNUYVCW-UHFFFAOYSA-N 0 1 230.315 2.050 20 0 BEADMN CCn1ccnc1NCc1cccc(F)c1N ZINC000902114939 584527555 /nfs/dbraw/zinc/52/75/55/584527555.db2.gz VINGDKLYAAQSIG-UHFFFAOYSA-N 0 1 234.278 2.236 20 0 BEADMN CCn1ccnc1NCc1cn(C)nc1C1CC1 ZINC000902115161 584527574 /nfs/dbraw/zinc/52/75/74/584527574.db2.gz XDWJRNMFWFXFCW-UHFFFAOYSA-N 0 1 245.330 2.126 20 0 BEADMN C[C@@H]1C[C@H](C)N(CN2Cc3ccccc3C2=O)C1 ZINC000902156439 584532151 /nfs/dbraw/zinc/53/21/51/584532151.db2.gz JSRUDLSCLBPGSN-NEPJUHHUSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1CN1Cc2ccccc2C1=O ZINC000902168254 584534538 /nfs/dbraw/zinc/53/45/38/584534538.db2.gz CUIIGSRTNKAHAF-NWDGAFQWSA-N 0 1 244.338 2.330 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1CN1Cc2ccccc2C1=O ZINC000902168254 584534539 /nfs/dbraw/zinc/53/45/39/584534539.db2.gz CUIIGSRTNKAHAF-NWDGAFQWSA-N 0 1 244.338 2.330 20 0 BEADMN C/C=C/C[C@@H]1CCCN(CN2CCOC2=O)C1 ZINC000902346791 584559398 /nfs/dbraw/zinc/55/93/98/584559398.db2.gz QSEZGXFOQUTNQS-QAVQXKDTSA-N 0 1 238.331 2.074 20 0 BEADMN Cc1cn[nH]c1CSCCOCC(F)F ZINC000902372833 584566792 /nfs/dbraw/zinc/56/67/92/584566792.db2.gz LTAABFDJKCOZFJ-UHFFFAOYSA-N 0 1 236.287 2.233 20 0 BEADMN CC(C)c1nc([C@@H](C)NCCCON)cs1 ZINC000902424777 584593862 /nfs/dbraw/zinc/59/38/62/584593862.db2.gz KWYKGHZKZZECSR-SECBINFHSA-N 0 1 243.376 2.198 20 0 BEADMN CO[C@H]1C[C@@H](CSCc2[nH]ncc2C)C1 ZINC000902439220 584596966 /nfs/dbraw/zinc/59/69/66/584596966.db2.gz WXZQOBHADXXYIY-AOOOYVTPSA-N 0 1 226.345 2.376 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])C[C@@H]1CC1(C)C ZINC000902451121 584606879 /nfs/dbraw/zinc/60/68/79/584606879.db2.gz CAYKRSHCPPCBPP-JTQLQIEISA-N 0 1 227.348 2.465 20 0 BEADMN CC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902513278 584622999 /nfs/dbraw/zinc/62/29/99/584622999.db2.gz VDWWCQPEZUWTIA-BQYQJAHWSA-N 0 1 235.283 2.362 20 0 BEADMN Cc1cn[nH]c1CSC[C@@H]1C[C@]12CCOC2 ZINC000902541402 584628709 /nfs/dbraw/zinc/62/87/09/584628709.db2.gz IXYCVQPWSZTMSI-JQWIXIFHSA-N 0 1 238.356 2.378 20 0 BEADMN CCn1cnc(CN[C@@H]2CC23CCCC3)c1 ZINC000902528095 584632770 /nfs/dbraw/zinc/63/27/70/584632770.db2.gz JONPLHILNGMRCL-GFCCVEGCSA-N 0 1 219.332 2.325 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000902531569 584633151 /nfs/dbraw/zinc/63/31/51/584633151.db2.gz WDYOOYGWOPDREF-LLVKDONJSA-N 0 1 249.310 2.134 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902531514 584633429 /nfs/dbraw/zinc/63/34/29/584633429.db2.gz UQDXXQZDESAROI-VQCYPWCPSA-N 0 1 235.283 2.362 20 0 BEADMN CNc1ccc(C)cc1CN[C@@H](C)CF ZINC000902574812 584637415 /nfs/dbraw/zinc/63/74/15/584637415.db2.gz LERZJPAWHSTUNO-JTQLQIEISA-N 0 1 210.296 2.484 20 0 BEADMN CCn1cnc(CNc2ccc3c(n2)CCC3)c1 ZINC000902585273 584639120 /nfs/dbraw/zinc/63/91/20/584639120.db2.gz QKSSWVAGPUBDIB-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cn(C)nn1 ZINC000902872105 584684017 /nfs/dbraw/zinc/68/40/17/584684017.db2.gz CPXPEMRETWRSGY-UHTWSYAYSA-N 0 1 248.374 2.435 20 0 BEADMN Cc1cccc(NC(=O)NC[C@H]2CCN2C)c1C ZINC000902932092 584699293 /nfs/dbraw/zinc/69/92/93/584699293.db2.gz ACIALOLWFNCUQP-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN Cc1cc(C)cc(NC(=O)NC[C@H]2CCN2C)c1 ZINC000902935666 584700215 /nfs/dbraw/zinc/70/02/15/584700215.db2.gz ZJHCYHILVHMCFP-CYBMUJFWSA-N 0 1 247.342 2.129 20 0 BEADMN F[C@@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000902991855 584709744 /nfs/dbraw/zinc/70/97/44/584709744.db2.gz CUDSXBROGXRESB-VXGBXAGGSA-N 0 1 227.323 2.380 20 0 BEADMN F[C@H]1CCCN(CCOC2CCSCC2)C1 ZINC000902991357 584709847 /nfs/dbraw/zinc/70/98/47/584709847.db2.gz PGSVLJNRZWZFGS-NSHDSACASA-N 0 1 247.379 2.333 20 0 BEADMN CC1(C)CO[C@@H](CN2CCC[C@H](F)C2)C1 ZINC000902992248 584710804 /nfs/dbraw/zinc/71/08/04/584710804.db2.gz IBQUHTRFLCTIFD-WDEREUQCSA-N 0 1 215.312 2.235 20 0 BEADMN CCCCOCCN1CCC[C@@H](F)C1 ZINC000903001136 584715643 /nfs/dbraw/zinc/71/56/43/584715643.db2.gz KWOPPURQIMTTTK-LLVKDONJSA-N 0 1 203.301 2.237 20 0 BEADMN CCn1ncc(N[C@H]2CCCc3cn[nH]c32)c1C ZINC000903086271 584725377 /nfs/dbraw/zinc/72/53/77/584725377.db2.gz FPTXGSQPXMYIMH-NSHDSACASA-N 0 1 245.330 2.424 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1cc(C(C)C)no1 ZINC000903098899 584726807 /nfs/dbraw/zinc/72/68/07/584726807.db2.gz VDWLYYXMULAYMQ-WCQYABFASA-N 0 1 238.331 2.455 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C2CC2)n1 ZINC000903267868 584741318 /nfs/dbraw/zinc/74/13/18/584741318.db2.gz GONSZWBZQUTQIX-ZWNOBZJWSA-N 0 1 231.343 2.321 20 0 BEADMN C[C@@H]1CC[C@@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903324242 584747348 /nfs/dbraw/zinc/74/73/48/584747348.db2.gz CXGPOTIYFLYYGY-ADEWGFFLSA-N 0 1 217.316 2.316 20 0 BEADMN c1cnc([C@@H](N[C@@H]2CCCSC2)C2CC2)nc1 ZINC000903327379 584753455 /nfs/dbraw/zinc/75/34/55/584753455.db2.gz SJAQXKDSOFEJFD-NEPJUHHUSA-N 0 1 249.383 2.413 20 0 BEADMN COC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000903332789 584754796 /nfs/dbraw/zinc/75/47/96/584754796.db2.gz UUSYRKYTVSULHR-GHMZBOCLSA-N 0 1 239.363 2.193 20 0 BEADMN CC1(C)CCC[C@@H](CN[C@H]2CCn3ccnc32)O1 ZINC000903357125 584755893 /nfs/dbraw/zinc/75/58/93/584755893.db2.gz WSPVNOOQOJFIEP-RYUDHWBXSA-N 0 1 249.358 2.265 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C)c1ccncc1Cl ZINC000903393011 584756300 /nfs/dbraw/zinc/75/63/00/584756300.db2.gz DDMXONMACJHJGD-HOTUBEGUSA-N 0 1 240.734 2.421 20 0 BEADMN C[C@H](N[C@@H]1COC[C@@H]1C)c1cccc(O)c1F ZINC000903393884 584756453 /nfs/dbraw/zinc/75/64/53/584756453.db2.gz VIPMGCIRPUWGIB-ATZCPNFKSA-N 0 1 239.290 2.217 20 0 BEADMN C[C@@H]1COC[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000903393798 584756462 /nfs/dbraw/zinc/75/64/62/584756462.db2.gz TWFPKQGIGQKXLG-BBBLOLIVSA-N 0 1 238.356 2.145 20 0 BEADMN CC(C)(C)OC[C@@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000903419183 584760336 /nfs/dbraw/zinc/76/03/36/584760336.db2.gz YWGGDIWPEBZMHU-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CCSc1ccccc1C[N@@H+](C)CC(=O)[O-] ZINC000903401545 584760467 /nfs/dbraw/zinc/76/04/67/584760467.db2.gz RMEZZVUPCBXQTN-UHFFFAOYSA-N 0 1 239.340 2.315 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1cscn1 ZINC000903439185 584762707 /nfs/dbraw/zinc/76/27/07/584762707.db2.gz ZKLIZBDQCIGQGU-LSJOCFKGSA-N 0 1 238.356 2.219 20 0 BEADMN C=C/C=C\CC[N@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000903604565 584784578 /nfs/dbraw/zinc/78/45/78/584784578.db2.gz ZVJOOSLREYGLQH-WYGGZMRJSA-N 0 1 223.316 2.304 20 0 BEADMN C=C/C=C/CC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000903605622 584784728 /nfs/dbraw/zinc/78/47/28/584784728.db2.gz BNCRVHWJJNSYEA-OOPCZODUSA-N 0 1 247.294 2.396 20 0 BEADMN O=C([O-])C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000903590844 584784836 /nfs/dbraw/zinc/78/48/36/584784836.db2.gz AVMPQBRMVYHZCC-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CC=C(C)CC1 ZINC000903594297 584785600 /nfs/dbraw/zinc/78/56/00/584785600.db2.gz FDPRYTVGZSSKDB-WDEREUQCSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC(C)(C)C1 ZINC000903597808 584786013 /nfs/dbraw/zinc/78/60/13/584786013.db2.gz PKOHLUGTYGMFQB-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000903596225 584786147 /nfs/dbraw/zinc/78/61/47/584786147.db2.gz SCTSUMFWVSJLPA-GXSJLCMTSA-N 0 1 225.288 2.211 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000903597523 584786355 /nfs/dbraw/zinc/78/63/55/584786355.db2.gz NUKSKAAMBJHSBT-GMTAPVOTSA-N 0 1 213.321 2.218 20 0 BEADMN CCC(C)(C)CC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616555 584786580 /nfs/dbraw/zinc/78/65/80/584786580.db2.gz HZZHXSDKHQOYTE-UWVGGRQHSA-N 0 1 231.311 2.310 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@@H+]1CCCC1CCC1 ZINC000903614657 584786844 /nfs/dbraw/zinc/78/68/44/584786844.db2.gz GZFREPMIYKAUIB-QWRGUYRKSA-N 0 1 229.295 2.064 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCCC1CCC1 ZINC000903614657 584786845 /nfs/dbraw/zinc/78/68/45/584786845.db2.gz GZFREPMIYKAUIB-QWRGUYRKSA-N 0 1 229.295 2.064 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCC1CCCC1 ZINC000903617582 584787268 /nfs/dbraw/zinc/78/72/68/584787268.db2.gz NYIHFODOKAQRMY-QWRGUYRKSA-N 0 1 229.295 2.064 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CCC1CCCCC1 ZINC000903617730 584787348 /nfs/dbraw/zinc/78/73/48/584787348.db2.gz SKOLGFJLCNMEKV-RYUDHWBXSA-N 0 1 243.322 2.454 20 0 BEADMN CC1CCC(C[N@H+]2C[C@@H](F)C[C@H]2C(=O)[O-])CC1 ZINC000903617971 584787395 /nfs/dbraw/zinc/78/73/95/584787395.db2.gz ZYEMGPAIEIXLDW-QQFIATSDSA-N 0 1 243.322 2.310 20 0 BEADMN O=C([O-])[C@H](c1ccsc1)[N@H+]1CC[C@H](CF)C1 ZINC000903611419 584787868 /nfs/dbraw/zinc/78/78/68/584787868.db2.gz MOOHEMFODUCISC-SCZZXKLOSA-N 0 1 243.303 2.165 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696642 584790183 /nfs/dbraw/zinc/79/01/83/584790183.db2.gz ZIUCMEGUSGAENS-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC1CC(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000903702092 584790562 /nfs/dbraw/zinc/79/05/62/584790562.db2.gz PNEJUBSDFIYHQT-RSJDFQLWSA-N 0 1 225.332 2.075 20 0 BEADMN CC1CC(C[N@@H+](CC(=O)[O-])CC(C)(C)C)C1 ZINC000903706497 584790822 /nfs/dbraw/zinc/79/08/22/584790822.db2.gz HZLMNZCTWVVLEB-UHFFFAOYSA-N 0 1 227.348 2.465 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000903707551 584791207 /nfs/dbraw/zinc/79/12/07/584791207.db2.gz ZFLGZMGKYLLLPP-ADPBJBESSA-N 0 1 225.332 2.075 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](C1CC1)C1CCCC1 ZINC000903887236 584813027 /nfs/dbraw/zinc/81/30/27/584813027.db2.gz NOGGCSFYQOLMEW-JOYOIKCWSA-N 0 1 223.316 2.114 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903887830 584813111 /nfs/dbraw/zinc/81/31/11/584813111.db2.gz GHWDIUNEYXNJEX-OCCSQVGLSA-N 0 1 247.338 2.414 20 0 BEADMN O=C([O-])[C@H](CCc1ccccc1)[N@@H+]1CC=CCC1 ZINC000903887668 584813330 /nfs/dbraw/zinc/81/33/30/584813330.db2.gz ZHCDWBQGRAIIHA-AWEZNQCLSA-N 0 1 245.322 2.334 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903891930 584814117 /nfs/dbraw/zinc/81/41/17/584814117.db2.gz VLLFPMUPXASEEN-KSSYENDESA-N 0 1 237.343 2.360 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903914875 584818768 /nfs/dbraw/zinc/81/87/68/584818768.db2.gz HXKYIOQOZIBGMY-WISYIIOYSA-N 0 1 225.332 2.075 20 0 BEADMN CC(C)CC[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000903887182 584818941 /nfs/dbraw/zinc/81/89/41/584818941.db2.gz LSPHKRVKGXHVDZ-CMPLNLGQSA-N 0 1 225.332 2.218 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903894183 584818977 /nfs/dbraw/zinc/81/89/77/584818977.db2.gz POGFCITWOYCHCA-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903894256 584819577 /nfs/dbraw/zinc/81/95/77/584819577.db2.gz RQEGUJMRZTWALC-NOOOWODRSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)C1 ZINC000903901777 584820440 /nfs/dbraw/zinc/82/04/40/584820440.db2.gz PPHNQLFEFDFDSQ-GCZXYKMCSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903908843 584821636 /nfs/dbraw/zinc/82/16/36/584821636.db2.gz CLGALPQCAGOPGU-RVMXOQNASA-N 0 1 237.343 2.362 20 0 BEADMN C=C/C=C/CC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000903939478 584822536 /nfs/dbraw/zinc/82/25/36/584822536.db2.gz RFOGYBPSJBAVGQ-GKUNOOHESA-N 0 1 223.316 2.304 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1 ZINC000903914265 584822563 /nfs/dbraw/zinc/82/25/63/584822563.db2.gz VKMBMQRBIANHKP-BUCSNLDVSA-N 0 1 237.343 2.219 20 0 BEADMN CC1CC(C[N@H+]2C3CCC2(C(=O)[O-])CC3)C1 ZINC000903912145 584822683 /nfs/dbraw/zinc/82/26/83/584822683.db2.gz ZUDGTHWYNYAMHY-UHFFFAOYSA-N 0 1 223.316 2.114 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])Cc2ccccc21 ZINC000903913029 584822842 /nfs/dbraw/zinc/82/28/42/584822842.db2.gz MMYJDHGMKTYRLD-VHRBIJSZSA-N 0 1 245.322 2.326 20 0 BEADMN O=C([O-])C1(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)CC1 ZINC000903934110 584825155 /nfs/dbraw/zinc/82/51/55/584825155.db2.gz IRIRKZMQXQZNSQ-CHWSQXEVSA-N 0 1 249.354 2.362 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903934810 584825617 /nfs/dbraw/zinc/82/56/17/584825617.db2.gz FDOSGOUXISAKIP-MFKMUULPSA-N 0 1 225.332 2.362 20 0 BEADMN CC/C=C/CC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936286 584825632 /nfs/dbraw/zinc/82/56/32/584825632.db2.gz HDSIVCYGYUCEBU-WTQORWENSA-N 0 1 223.316 2.282 20 0 BEADMN CC1(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])CCC1 ZINC000903936719 584826648 /nfs/dbraw/zinc/82/66/48/584826648.db2.gz TVSARPNUPHRGJH-MFKMUULPSA-N 0 1 223.316 2.116 20 0 BEADMN C[C@]12C[N@@H+](C[C@@H]3C[C@H]3C(=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903944895 584829804 /nfs/dbraw/zinc/82/98/04/584829804.db2.gz PGDIXOQZLZHCFR-JSXSYOHWSA-N 0 1 249.354 2.075 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CC2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952521 584831172 /nfs/dbraw/zinc/83/11/72/584831172.db2.gz ZPXRXHVIOKPCCC-WDCWCFNPSA-N 0 1 225.332 2.216 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCCF)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952432 584831611 /nfs/dbraw/zinc/83/16/11/584831611.db2.gz XSEKNRIWJMKAFW-YTWAJWBKSA-N 0 1 231.311 2.166 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CC2CC2)[C@H](C)[C@H]1C(=O)[O-] ZINC000903952520 584831653 /nfs/dbraw/zinc/83/16/53/584831653.db2.gz ZPXRXHVIOKPCCC-KLBPJQLPSA-N 0 1 225.332 2.216 20 0 BEADMN CC(C)C[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903956611 584831819 /nfs/dbraw/zinc/83/18/19/584831819.db2.gz DIGMVXBZMYTDDS-UHFFFAOYSA-N 0 1 249.310 2.235 20 0 BEADMN C1CC1C1(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000904075987 584839947 /nfs/dbraw/zinc/83/99/47/584839947.db2.gz UYVAZGNTZUGDPF-SNVBAGLBSA-N 0 1 233.315 2.326 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@H]2CCCO2)no1 ZINC000904095684 584842220 /nfs/dbraw/zinc/84/22/20/584842220.db2.gz AGDCFJKGHSALMJ-VHSXEESVSA-N 0 1 239.319 2.228 20 0 BEADMN CCC[N@@H+](CC)Cc1ccc(NC(=O)[O-])nc1 ZINC000826907956 584896243 /nfs/dbraw/zinc/89/62/43/584896243.db2.gz XHUQZVFQDIINCB-UHFFFAOYSA-N 0 1 237.303 2.403 20 0 BEADMN c1ccc2oc(CN3CC[C@@H]4C[C@@H]43)nc2c1 ZINC000761088791 584909488 /nfs/dbraw/zinc/90/94/88/584909488.db2.gz QWCCHQYPAHEADF-KOLCDFICSA-N 0 1 214.268 2.422 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C1=COCCC1 ZINC000730774746 584915516 /nfs/dbraw/zinc/91/55/16/584915516.db2.gz IUXNKFHPVWVZCK-UHFFFAOYSA-N 0 1 243.266 2.196 20 0 BEADMN CSCC[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000835814460 584933291 /nfs/dbraw/zinc/93/32/91/584933291.db2.gz ZGJNWWQEZOLYEY-GHMZBOCLSA-N 0 1 247.404 2.257 20 0 BEADMN CCc1cc(CNC(=O)c2ccccc2F)n[nH]1 ZINC000732789726 584940730 /nfs/dbraw/zinc/94/07/30/584940730.db2.gz AECHOROHWMGEBS-UHFFFAOYSA-N 0 1 247.273 2.041 20 0 BEADMN CCc1cc(CNc2ccnc(C(C)C)n2)n[nH]1 ZINC000732804024 584941309 /nfs/dbraw/zinc/94/13/09/584941309.db2.gz CVRQPOCYOKZKGA-UHFFFAOYSA-N 0 1 245.330 2.498 20 0 BEADMN CCC[C@H](C)C(=O)NCc1cc(CC)[nH]n1 ZINC000733153951 584943697 /nfs/dbraw/zinc/94/36/97/584943697.db2.gz JTVOQINRHZGDJZ-VIFPVBQESA-N 0 1 223.320 2.025 20 0 BEADMN O=C(O[C@@H]1C=CCCC1)c1[nH]nc2c1CCC2 ZINC000733450653 584949123 /nfs/dbraw/zinc/94/91/23/584949123.db2.gz HSSBHNXFGFGXFG-SECBINFHSA-N 0 1 232.283 2.164 20 0 BEADMN C[C@H]1CCC[C@H](CC(=O)OCc2c[nH]nn2)C1 ZINC000734518876 584963372 /nfs/dbraw/zinc/96/33/72/584963372.db2.gz NCECVXOEMCTZAI-UWVGGRQHSA-N 0 1 237.303 2.064 20 0 BEADMN CCCC[C@H](CC)C(=O)OCCc1c[nH]nn1 ZINC000734569977 584964821 /nfs/dbraw/zinc/96/48/21/584964821.db2.gz ZDSJETNWSXZHDG-JTQLQIEISA-N 0 1 239.319 2.107 20 0 BEADMN CCCC[C@H](CC)C(=O)OCCc1cnn[nH]1 ZINC000734569977 584964822 /nfs/dbraw/zinc/96/48/22/584964822.db2.gz ZDSJETNWSXZHDG-JTQLQIEISA-N 0 1 239.319 2.107 20 0 BEADMN CC1(C)CN(C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736735390 585011249 /nfs/dbraw/zinc/01/12/49/585011249.db2.gz IOEJIDIWDUVEIR-UHFFFAOYSA-N 0 1 248.326 2.261 20 0 BEADMN CCn1nc(C)c(CN(C)C[C@H]2CC=CCC2)n1 ZINC000824146778 585028733 /nfs/dbraw/zinc/02/87/33/585028733.db2.gz AFGOQELIRDETQX-ZDUSSCGKSA-N 0 1 248.374 2.395 20 0 BEADMN Cn1c2ccccc2[nH+]c1NCC(C)(C)C(=O)[O-] ZINC000841506605 585034419 /nfs/dbraw/zinc/03/44/19/585034419.db2.gz VIHUVSHROWGCOU-UHFFFAOYSA-N 0 1 247.298 2.096 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000738090316 585040346 /nfs/dbraw/zinc/04/03/46/585040346.db2.gz NWRZVZUVMMNRFJ-LBPRGKRZSA-N 0 1 240.391 2.426 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000838805184 585069511 /nfs/dbraw/zinc/06/95/11/585069511.db2.gz HDJBEHSUFZLNCZ-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000838818692 585071687 /nfs/dbraw/zinc/07/16/87/585071687.db2.gz ZOMZNYALXJNOSK-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN2CCCCC[C@H]2C)n1 ZINC000838837416 585073759 /nfs/dbraw/zinc/07/37/59/585073759.db2.gz OWEHCBYIPDDLMD-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN CC[C@H]1CCCCCN1Cc1cnn(CC)n1 ZINC000838842795 585074235 /nfs/dbraw/zinc/07/42/35/585074235.db2.gz WFCWDQDEYQLAPD-ZDUSSCGKSA-N 0 1 236.363 2.453 20 0 BEADMN COCc1cc(CN[C@@H](C)C2(C)CC2)no1 ZINC000838914484 585077764 /nfs/dbraw/zinc/07/77/64/585077764.db2.gz PHOLNVGFNKYJMS-VIFPVBQESA-N 0 1 224.304 2.099 20 0 BEADMN COCc1cc(CN[C@H](C)C2(C)CC2)no1 ZINC000838914483 585077854 /nfs/dbraw/zinc/07/78/54/585077854.db2.gz PHOLNVGFNKYJMS-SECBINFHSA-N 0 1 224.304 2.099 20 0 BEADMN CCCCC[C@@H](CC)C(=O)OCc1c[nH]nn1 ZINC000838899654 585079882 /nfs/dbraw/zinc/07/98/82/585079882.db2.gz XKFUOROCNKMHHL-SNVBAGLBSA-N 0 1 239.319 2.454 20 0 BEADMN CC1(C)CCCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838900710 585080131 /nfs/dbraw/zinc/08/01/31/585080131.db2.gz SOHATVGCGNHLHD-JTQLQIEISA-N 0 1 237.303 2.064 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838901250 585080527 /nfs/dbraw/zinc/08/05/27/585080527.db2.gz WBATZUUWYKPQGG-GXSJLCMTSA-N 0 1 237.303 2.064 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)OCc1c[nH]nn1 ZINC000838901567 585080578 /nfs/dbraw/zinc/08/05/78/585080578.db2.gz OSHJJWLFSGKMBI-ZJUUUORDSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@H](O)C2CC2)s1 ZINC000838929607 585081506 /nfs/dbraw/zinc/08/15/06/585081506.db2.gz ZLSVPRSJTGMECB-JTQLQIEISA-N 0 1 240.372 2.047 20 0 BEADMN CCCCCCC(=O)Nc1nnc(C)[nH]1 ZINC000103255823 585082089 /nfs/dbraw/zinc/08/20/89/585082089.db2.gz OULFCEDSXZQLSY-UHFFFAOYSA-N 0 1 210.281 2.022 20 0 BEADMN CCCC1(CNCc2cnn(CC)n2)CCC1 ZINC000838977282 585083586 /nfs/dbraw/zinc/08/35/86/585083586.db2.gz JUTQBKRANQLEHM-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CCn1ncc(CN[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000838989088 585084607 /nfs/dbraw/zinc/08/46/07/585084607.db2.gz FNFJWZSTDKNWNL-ZIAGYGMSSA-N 0 1 248.374 2.356 20 0 BEADMN CCC[C@H]1CCCCN1Cc1cnn(CC)n1 ZINC000839012643 585087310 /nfs/dbraw/zinc/08/73/10/585087310.db2.gz WJTNSYDADKPGGG-ZDUSSCGKSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1ncc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000839066747 585089764 /nfs/dbraw/zinc/08/97/64/585089764.db2.gz FCBQGHLJTKOLOP-LBPRGKRZSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1ncc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000839081153 585089963 /nfs/dbraw/zinc/08/99/63/585089963.db2.gz VPTGELNMSVTMLZ-AAEUAGOBSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)C1(O)CN(Cc2cccc3[nH]ccc32)C1 ZINC000839133351 585094129 /nfs/dbraw/zinc/09/41/29/585094129.db2.gz PLZCPLPPRVLWMV-UHFFFAOYSA-N 0 1 244.338 2.371 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2C[C@H]2CC(C)C)n1 ZINC000839162587 585098245 /nfs/dbraw/zinc/09/82/45/585098245.db2.gz FNMQYXZVTUDONL-VXGBXAGGSA-N 0 1 236.363 2.131 20 0 BEADMN C[C@@H](NC[C@@H]1CC1(Cl)Cl)c1ccn(C)n1 ZINC000839195839 585098542 /nfs/dbraw/zinc/09/85/42/585098542.db2.gz IDTHDYOLLPSKER-SFYZADRCSA-N 0 1 248.157 2.265 20 0 BEADMN C[C@H](NC[C@@H]1CC1(Cl)Cl)c1ccn(C)n1 ZINC000839195841 585098690 /nfs/dbraw/zinc/09/86/90/585098690.db2.gz IDTHDYOLLPSKER-YUMQZZPRSA-N 0 1 248.157 2.265 20 0 BEADMN CCCOC(=O)[C@H](C(C)C)N1CCCC1 ZINC000741015104 585109148 /nfs/dbraw/zinc/10/91/48/585109148.db2.gz WYUDEHBPASZBJR-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@H](C(=O)OCCOC(C)C)N(CC)CC ZINC000741032533 585109668 /nfs/dbraw/zinc/10/96/68/585109668.db2.gz GTTMZYMZBYJUIY-GFCCVEGCSA-N 0 1 245.363 2.075 20 0 BEADMN CC1(C(=O)Nc2c[nH]nn2)CCCCCC1 ZINC000788159410 585116699 /nfs/dbraw/zinc/11/66/99/585116699.db2.gz XELSZXLPOWVFMP-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@H](C)C(C)C ZINC000741778209 585117691 /nfs/dbraw/zinc/11/76/91/585117691.db2.gz BQRVEEWPJSXVBT-GHMZBOCLSA-N 0 1 215.337 2.304 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)CCC(C)C ZINC000741777322 585118240 /nfs/dbraw/zinc/11/82/40/585118240.db2.gz MODRMFTUGBKMSY-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CCCCOC(=O)[C@H](C)N1C[C@@H](C)C[C@@H]1C ZINC000741793761 585119029 /nfs/dbraw/zinc/11/90/29/585119029.db2.gz CCTGIOLLJUDKCO-SRVKXCTJSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCC(N)=NOCCCOCC ZINC000742357348 585124635 /nfs/dbraw/zinc/12/46/35/585124635.db2.gz UKORYAAMWAGRMF-UHFFFAOYSA-N 0 1 202.298 2.102 20 0 BEADMN CCN(CC)[C@H](CNC(=O)OC)c1ccco1 ZINC000742402520 585125743 /nfs/dbraw/zinc/12/57/43/585125743.db2.gz BGELUKRDXUAFMR-SNVBAGLBSA-N 0 1 240.303 2.019 20 0 BEADMN CCC(N)=NOCc1ccc(-n2cccn2)cc1 ZINC000742580696 585128276 /nfs/dbraw/zinc/12/82/76/585128276.db2.gz SFSJWNAVDPGJKB-UHFFFAOYSA-N 0 1 244.298 2.281 20 0 BEADMN Cc1ccc([C@H](C)C(=O)NCc2cn[nH]c2C)o1 ZINC000742584302 585128597 /nfs/dbraw/zinc/12/85/97/585128597.db2.gz VKWRRCFMZJMICM-VIFPVBQESA-N 0 1 247.298 2.039 20 0 BEADMN CC(C)Oc1ccnc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886349036 585134196 /nfs/dbraw/zinc/13/41/96/585134196.db2.gz XMPAUUHTOKAZKP-TXEJJXNPSA-N 0 1 232.327 2.321 20 0 BEADMN C[C@H](N(C)Cn1cc[nH]c1=S)C(C)(C)C ZINC000743349779 585135728 /nfs/dbraw/zinc/13/57/28/585135728.db2.gz ULDQOICUANAQEC-VIFPVBQESA-N 0 1 227.377 2.496 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN(C)CC(C)C)C1 ZINC000743359173 585136269 /nfs/dbraw/zinc/13/62/69/585136269.db2.gz TYBMPWFFUPEWCD-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1ncc(C(=O)N2CCC3(CCCC3)C2)[nH]1 ZINC000743767003 585139243 /nfs/dbraw/zinc/13/92/43/585139243.db2.gz BNHILWQOPJYHMG-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN CCC(C)(C)CCN1CCN(C(=O)OC)CC1 ZINC000743841759 585139482 /nfs/dbraw/zinc/13/94/82/585139482.db2.gz VTAKPAQPZYJXLY-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CC(C)CN(C)Cn1cccnc1=S ZINC000744152006 585144622 /nfs/dbraw/zinc/14/46/22/585144622.db2.gz RYDNJAQXFVKOGY-UHFFFAOYSA-N 0 1 211.334 2.158 20 0 BEADMN Cc1nonc1CN1CCC[C@H]2CCC[C@H]21 ZINC000744406747 585150141 /nfs/dbraw/zinc/15/01/41/585150141.db2.gz OSYHQOHNTAXCSW-ZYHUDNBSSA-N 0 1 221.304 2.143 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN(C)C2CCC2)C1 ZINC000744436773 585150315 /nfs/dbraw/zinc/15/03/15/585150315.db2.gz UJASCQFPXDKXOD-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@H](C(=O)OCC1CCC1)N(CC)CC ZINC000745096781 585156764 /nfs/dbraw/zinc/15/67/64/585156764.db2.gz YVGGJWAPCDDQNX-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CN(CCc1ccccn1)Cc1ccnc(F)c1 ZINC000859209272 589019451 /nfs/dbraw/zinc/01/94/51/589019451.db2.gz AXHZIFJRLJBTQW-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CN(Cc1ccnc(F)c1)[C@@H]1CCSC1 ZINC000859208249 589019578 /nfs/dbraw/zinc/01/95/78/589019578.db2.gz KGODEHLHXJFEPN-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN CN(Cc1ccnc(F)c1)[C@H]1CCSC1 ZINC000859208248 589019667 /nfs/dbraw/zinc/01/96/67/589019667.db2.gz KGODEHLHXJFEPN-JTQLQIEISA-N 0 1 226.320 2.158 20 0 BEADMN CCc1noc(CN2C[C@H](C)CC2(C)C)n1 ZINC000746678085 585171726 /nfs/dbraw/zinc/17/17/26/585171726.db2.gz LNLXHMWTRGEJMD-SECBINFHSA-N 0 1 223.320 2.252 20 0 BEADMN CC(C)COC(=O)c1c(F)cc(O)cc1F ZINC000746988505 585173929 /nfs/dbraw/zinc/17/39/29/585173929.db2.gz WRJYMZIAUVHIPO-UHFFFAOYSA-N 0 1 230.210 2.483 20 0 BEADMN CCN(CN1CC2(CCCC2)CC1=O)C1CC1 ZINC000747449270 585178984 /nfs/dbraw/zinc/17/89/84/585178984.db2.gz MCUCWPSKRAMAGC-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC1(CNCc2cn(-c3ccccc3)nn2)CC1 ZINC000748098637 585187112 /nfs/dbraw/zinc/18/71/12/585187112.db2.gz KCOJQNNWMVCXBZ-UHFFFAOYSA-N 0 1 242.326 2.157 20 0 BEADMN CC[C@H](C)CN(CC)Cn1cc[nH]c1=S ZINC000748263477 585190070 /nfs/dbraw/zinc/19/00/70/585190070.db2.gz UUIMVTGZFZZPAJ-JTQLQIEISA-N 0 1 227.377 2.497 20 0 BEADMN COC(=O)/C(C)=C\CN1CC[C@H](c2ccco2)C1 ZINC000748818290 585196665 /nfs/dbraw/zinc/19/66/65/585196665.db2.gz TWWKZEFHJHHNOE-QJGQKNTRSA-N 0 1 249.310 2.188 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000748825669 585197151 /nfs/dbraw/zinc/19/71/51/585197151.db2.gz VGQZYYKBTTYFEL-UHFFFAOYSA-N 0 1 242.363 2.338 20 0 BEADMN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CCF ZINC000749459344 585202473 /nfs/dbraw/zinc/20/24/73/585202473.db2.gz DBOFOFFHCIFNEO-GXFFZTMASA-N 0 1 223.291 2.280 20 0 BEADMN CCNC(=S)Nc1cnccc1SC ZINC000749897982 585208127 /nfs/dbraw/zinc/20/81/27/585208127.db2.gz QYRKLAQENOVVOT-UHFFFAOYSA-N 0 1 227.358 2.110 20 0 BEADMN O=C1[C@H]2CCCCC[C@H]2N1CN1C2CCC1CC2 ZINC000749935487 585208560 /nfs/dbraw/zinc/20/85/60/585208560.db2.gz AMWBPBYGHMXILD-CLRIEMFWSA-N 0 1 248.370 2.362 20 0 BEADMN CC(C)CN(C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749945929 585208763 /nfs/dbraw/zinc/20/87/63/585208763.db2.gz OECNTDQEVKYEFA-STQMWFEESA-N 0 1 238.375 2.323 20 0 BEADMN CCCN(CC)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749947881 585208948 /nfs/dbraw/zinc/20/89/48/585208948.db2.gz IQGYGTVWAWAXOD-QWHCGFSZSA-N 0 1 238.375 2.467 20 0 BEADMN CC(C)CN(C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749945928 585208967 /nfs/dbraw/zinc/20/89/67/585208967.db2.gz OECNTDQEVKYEFA-QWHCGFSZSA-N 0 1 238.375 2.323 20 0 BEADMN CCCCCC[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000750016242 585209696 /nfs/dbraw/zinc/20/96/96/585209696.db2.gz PUYOZZAOKVIOGJ-RYUDHWBXSA-N 0 1 228.380 2.412 20 0 BEADMN CC[C@@](C)(NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000750612159 585217921 /nfs/dbraw/zinc/21/79/21/585217921.db2.gz JYXPFLNBABUJEK-SWLSCSKDSA-N 0 1 248.370 2.378 20 0 BEADMN C/C=C(/C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000751363243 585227474 /nfs/dbraw/zinc/22/74/74/585227474.db2.gz JDVMLJMOWUPRMO-BAQGIRSFSA-N 0 1 215.256 2.468 20 0 BEADMN CC(C)=C(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000751408856 585230058 /nfs/dbraw/zinc/23/00/58/585230058.db2.gz UVKWLVUXNXWAAS-OLZOCXBDSA-N 0 1 236.359 2.038 20 0 BEADMN CCC/C=C/C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751426507 585230138 /nfs/dbraw/zinc/23/01/38/585230138.db2.gz ZDLNSOGCBVMIDT-SNAWJCMRSA-N 0 1 247.342 2.472 20 0 BEADMN CCC/C=C\C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751426506 585230275 /nfs/dbraw/zinc/23/02/75/585230275.db2.gz ZDLNSOGCBVMIDT-PLNGDYQASA-N 0 1 247.342 2.472 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(O)cc1 ZINC000752088049 585241762 /nfs/dbraw/zinc/24/17/62/585241762.db2.gz JKYLBMGPIRVAGJ-WDEREUQCSA-N 0 1 248.326 2.061 20 0 BEADMN O=C(NCCN1CCC1)C1CCCCCCC1 ZINC000752296915 585244601 /nfs/dbraw/zinc/24/46/01/585244601.db2.gz GBPJSKLWSBSUPB-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CC(C(=O)N1CCC2(CN(C)C2)C1)=C1CCCC1 ZINC000753082508 585253493 /nfs/dbraw/zinc/25/34/93/585253493.db2.gz KEPCOYPOFQRVNH-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000753138991 585254156 /nfs/dbraw/zinc/25/41/56/585254156.db2.gz RVAUKHUJVCHMGK-VIFPVBQESA-N 0 1 232.283 2.073 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C1/CC[C@H](C)C1 ZINC000753593736 585263246 /nfs/dbraw/zinc/26/32/46/585263246.db2.gz RHTCGFSCPNKZJU-ISAHRAOESA-N 0 1 233.315 2.081 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C1/CC[C@@H](C)C1 ZINC000753593737 585263345 /nfs/dbraw/zinc/26/33/45/585263345.db2.gz RHTCGFSCPNKZJU-NJQKBMNKSA-N 0 1 233.315 2.081 20 0 BEADMN CCC(=O)CCN(CC)Cc1ccoc1 ZINC000753705437 585266780 /nfs/dbraw/zinc/26/67/80/585266780.db2.gz PZCWRAXZWBTNNX-UHFFFAOYSA-N 0 1 209.289 2.471 20 0 BEADMN CC(C)(C)C(=O)CCN1CCOC2(CCC2)C1 ZINC000753746096 585267894 /nfs/dbraw/zinc/26/78/94/585267894.db2.gz NVJOHFIAMCYWDF-UHFFFAOYSA-N 0 1 239.359 2.247 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)[C@@H](C)CN1C ZINC000753745794 585267977 /nfs/dbraw/zinc/26/79/77/585267977.db2.gz JQFFPAKEFZVWTL-NEPJUHHUSA-N 0 1 240.391 2.016 20 0 BEADMN Cc1c(Cl)cnn1CN1C[C@H](C)[C@@H](C)C1 ZINC000753795733 585269381 /nfs/dbraw/zinc/26/93/81/585269381.db2.gz YTJUHYFOBBRQCY-IUCAKERBSA-N 0 1 227.739 2.390 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(CC)[C@H](C)C1 ZINC000754198900 585280244 /nfs/dbraw/zinc/28/02/44/585280244.db2.gz ZJMFBVVBZIHZMA-RSKUSDAESA-N 0 1 238.375 2.285 20 0 BEADMN CC1(C)CCN1C[C@H](O)c1ccccc1F ZINC000754658266 585288767 /nfs/dbraw/zinc/28/87/67/585288767.db2.gz KIUDYHITSGQSQB-LBPRGKRZSA-N 0 1 223.291 2.343 20 0 BEADMN C/C=C\C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000754711978 585289761 /nfs/dbraw/zinc/28/97/61/585289761.db2.gz ORFZVMPDKCRAGO-QRJDUPJOSA-N 0 1 236.319 2.072 20 0 BEADMN CCc1nc(COC(=O)C(C)=C2CCCC2)n[nH]1 ZINC000754846650 585291485 /nfs/dbraw/zinc/29/14/85/585291485.db2.gz QJGRLNCPUNBAFO-UHFFFAOYSA-N 0 1 249.314 2.301 20 0 BEADMN CCc1nc(COC(=O)/C=C2/CC[C@H](C)C2)n[nH]1 ZINC000754845493 585291491 /nfs/dbraw/zinc/29/14/91/585291491.db2.gz KPOZIUJVCPERRV-CBFJXKFUSA-N 0 1 249.314 2.157 20 0 BEADMN CCc1nc(COC(=O)CC(CC)CC)n[nH]1 ZINC000754844812 585291606 /nfs/dbraw/zinc/29/16/06/585291606.db2.gz YHGPEQPKKVSRCK-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN CC/C(C)=C(/C)C(=O)OCc1n[nH]c(CC)n1 ZINC000754884517 585292038 /nfs/dbraw/zinc/29/20/38/585292038.db2.gz WPBLRJZPNOSOIB-HJWRWDBZSA-N 0 1 237.303 2.157 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@@H](C(C)C)C1 ZINC000755998756 585312642 /nfs/dbraw/zinc/31/26/42/585312642.db2.gz ZAHWNRMANGCANE-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1nc([C@H](C)N2CC[C@@H](C(F)(F)F)C2)n[nH]1 ZINC000839534489 585329375 /nfs/dbraw/zinc/32/93/75/585329375.db2.gz STILTFHCQAWSGC-POYBYMJQSA-N 0 1 248.252 2.058 20 0 BEADMN CON(CC(C)(C)C)[C@@H](C)c1n[nH]c(C)n1 ZINC000839602289 585331606 /nfs/dbraw/zinc/33/16/06/585331606.db2.gz ZMWUNGAEXXAZLH-QMMMGPOBSA-N 0 1 226.324 2.084 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000839677598 585336631 /nfs/dbraw/zinc/33/66/31/585336631.db2.gz TXIMEFKVLSDWIN-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN O=C(OCC1CCC1)[C@H]1CCCc2[nH]ncc21 ZINC000757898068 585346350 /nfs/dbraw/zinc/34/63/50/585346350.db2.gz LTNUQQVYMOIHSY-JTQLQIEISA-N 0 1 234.299 2.173 20 0 BEADMN CCCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757883781 585346368 /nfs/dbraw/zinc/34/63/68/585346368.db2.gz PZIJHUBLGJRDSM-SECBINFHSA-N 0 1 222.288 2.173 20 0 BEADMN CCN(CCF)C[C@H](O)c1ccc(C)cc1 ZINC000759345604 585370000 /nfs/dbraw/zinc/37/00/00/585370000.db2.gz HAJGWTBCTJHVRU-ZDUSSCGKSA-N 0 1 225.307 2.320 20 0 BEADMN CN(CCF)CCOCc1ccccc1 ZINC000759373710 585371491 /nfs/dbraw/zinc/37/14/91/585371491.db2.gz RDNGNBXPHTZUMW-UHFFFAOYSA-N 0 1 211.280 2.105 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@H](C)[C@@H]1C ZINC000759383619 585372007 /nfs/dbraw/zinc/37/20/07/585372007.db2.gz MQBMXOXYZGGHRF-MJBXVCDLSA-N 0 1 243.391 2.427 20 0 BEADMN Cc1ccc(C)c(CN(C)CC2OCCO2)c1 ZINC000759646367 585377791 /nfs/dbraw/zinc/37/77/91/585377791.db2.gz ZUBKUDPKEGAMAD-UHFFFAOYSA-N 0 1 235.327 2.108 20 0 BEADMN O=C(N[C@H](c1cccnc1)C1CC1)C(F)(F)F ZINC000760016398 585384273 /nfs/dbraw/zinc/38/42/73/585384273.db2.gz FQHBTCZHBHKCRC-VIFPVBQESA-N 0 1 244.216 2.211 20 0 BEADMN CCCC=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760047404 585384621 /nfs/dbraw/zinc/38/46/21/585384621.db2.gz UIUKKPUJWFJWLC-YWEYNIOJSA-N 0 1 234.303 2.367 20 0 BEADMN CCC/C=C\C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760047404 585384622 /nfs/dbraw/zinc/38/46/22/585384622.db2.gz UIUKKPUJWFJWLC-YWEYNIOJSA-N 0 1 234.303 2.367 20 0 BEADMN CCCC=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000760711103 585395879 /nfs/dbraw/zinc/39/58/79/585395879.db2.gz LBYBOIJOIBNKLJ-PLNGDYQASA-N 0 1 230.271 2.253 20 0 BEADMN CCO[C@H](CN1CCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000859222885 589021733 /nfs/dbraw/zinc/02/17/33/589021733.db2.gz OHJAHRGEESMEBG-QWHCGFSZSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+](C2CC2)C2CCCC2)n1 ZINC000761863827 585420856 /nfs/dbraw/zinc/42/08/56/585420856.db2.gz KWAODFGCEYQWMS-UHFFFAOYSA-N 0 1 247.342 2.398 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+](C2CC2)C2CCCC2)n1 ZINC000761863827 585420857 /nfs/dbraw/zinc/42/08/57/585420857.db2.gz KWAODFGCEYQWMS-UHFFFAOYSA-N 0 1 247.342 2.398 20 0 BEADMN Cc1ccc([C@@H](O)CNCc2ccc(C)cn2)o1 ZINC000761969539 585423387 /nfs/dbraw/zinc/42/33/87/585423387.db2.gz IFHDSEGOELALCC-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN CCC(CC)[C@H](C)C(=O)OCc1n[nH]c(C)n1 ZINC000762079860 585425846 /nfs/dbraw/zinc/42/58/46/585425846.db2.gz GGXXUGISTPOPCF-QMMMGPOBSA-N 0 1 239.319 2.229 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@H](C2CC2)CC1=O ZINC000762498521 585433386 /nfs/dbraw/zinc/43/33/86/585433386.db2.gz WKAHUEIJLYLWLX-DGCLKSJQSA-N 0 1 238.375 2.180 20 0 BEADMN O=C(CCCC1CCCC1)Nc1c[nH]nn1 ZINC000763200069 585444354 /nfs/dbraw/zinc/44/43/54/585444354.db2.gz XIUKZPVTTOTWMK-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN CCC(N)=NOCCCC1CCOCC1 ZINC000790436052 585463969 /nfs/dbraw/zinc/46/39/69/585463969.db2.gz RXIJLGXFALKXFR-UHFFFAOYSA-N 0 1 214.309 2.102 20 0 BEADMN CC[C@@H](C(=O)O[C@@H](C)C1CC1)N(CC)CC ZINC000764396371 585464771 /nfs/dbraw/zinc/46/47/71/585464771.db2.gz WDSBQJNJAINOIW-JQWIXIFHSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000764488544 585466407 /nfs/dbraw/zinc/46/64/07/585466407.db2.gz VTMXHWYRWGJNBU-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000765737831 585492285 /nfs/dbraw/zinc/49/22/85/585492285.db2.gz IBGMSHBNJNSGJB-GHMZBOCLSA-N 0 1 242.363 2.336 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C(C)=C(C)C)C[C@H]1C ZINC000765929111 585494031 /nfs/dbraw/zinc/49/40/31/585494031.db2.gz KCNZDQOXDFKMPY-NEPJUHHUSA-N 0 1 238.375 2.284 20 0 BEADMN CCc1cc(CN[C@H](C)c2cncc(F)c2)[nH]n1 ZINC000766004934 585495745 /nfs/dbraw/zinc/49/57/45/585495745.db2.gz UIFZTOZZUJAFFI-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN COc1ccccc1CN(C)CCC(=O)C1CC1 ZINC000767363790 585517632 /nfs/dbraw/zinc/51/76/32/585517632.db2.gz YADBTGADQGKVKW-UHFFFAOYSA-N 0 1 247.338 2.496 20 0 BEADMN C[N@@H+](CCC(=O)C1CC1)C1Cc2ccccc2C1 ZINC000767364892 585517902 /nfs/dbraw/zinc/51/79/02/585517902.db2.gz WJXFAALAJJHKLS-UHFFFAOYSA-N 0 1 243.350 2.455 20 0 BEADMN C[N@@H+](CCC(=O)C1CC1)Cc1cccc(O)c1 ZINC000767414134 585519536 /nfs/dbraw/zinc/51/95/36/585519536.db2.gz HJWANNVVJQVZBN-UHFFFAOYSA-N 0 1 233.311 2.193 20 0 BEADMN CN(CCC(=O)C1CC1)Cc1cccc(O)c1 ZINC000767414134 585519537 /nfs/dbraw/zinc/51/95/37/585519537.db2.gz HJWANNVVJQVZBN-UHFFFAOYSA-N 0 1 233.311 2.193 20 0 BEADMN CC(C)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767803142 585526170 /nfs/dbraw/zinc/52/61/70/585526170.db2.gz DQGFSEHIEPRAEM-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN c1cc(CN2CCSCC2)cc2c1COC2 ZINC000768236883 585534416 /nfs/dbraw/zinc/53/44/16/585534416.db2.gz KWSRVTPLZLKSJH-UHFFFAOYSA-N 0 1 235.352 2.266 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C[C@@H](C)C2CC2)n[nH]1 ZINC000768378602 585537434 /nfs/dbraw/zinc/53/74/34/585537434.db2.gz UFGAPYPTIUUYFN-NXEZZACHSA-N 0 1 249.358 2.202 20 0 BEADMN c1n[nH]nc1SCc1cccc2nsnc21 ZINC000768400164 585537988 /nfs/dbraw/zinc/53/79/88/585537988.db2.gz LWHJRCCGXYCFKZ-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C/Cl)[C@H](C)CN1C ZINC000768773488 585542955 /nfs/dbraw/zinc/54/29/55/585542955.db2.gz VLYBWVGMEMHUJT-JSGGQSAASA-N 0 1 237.174 2.330 20 0 BEADMN C[C@@H]1CN(C/C(Cl)=C\Cl)[C@@H](C)CN1C ZINC000768773486 585543164 /nfs/dbraw/zinc/54/31/64/585543164.db2.gz VLYBWVGMEMHUJT-CMQUBOLUSA-N 0 1 237.174 2.330 20 0 BEADMN CCC/C(C)=C\C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000768851158 585544494 /nfs/dbraw/zinc/54/44/94/585544494.db2.gz NWXXPOMJHZDIEI-ZBNJQPBLSA-N 0 1 238.375 2.284 20 0 BEADMN CCC(=CC(=O)N1C[C@@H](C)N(C)C[C@H]1C)CC ZINC000768845931 585544500 /nfs/dbraw/zinc/54/45/00/585544500.db2.gz KBGUEWSKIOHDIE-VXGBXAGGSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@H]1CN(C(=O)C=C2CCCC2)[C@@H](C)CN1C ZINC000768845989 585544730 /nfs/dbraw/zinc/54/47/30/585544730.db2.gz AOVHDTAZRJMIIH-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN C[C@H]1COCCN(Cc2n[nH]c3ccccc32)C1 ZINC000769455642 585557425 /nfs/dbraw/zinc/55/74/25/585557425.db2.gz GMERMTGUEHCWIA-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN COC1CC(Nc2ccc(C)nc2N(C)C)C1 ZINC000769538717 585559045 /nfs/dbraw/zinc/55/90/45/585559045.db2.gz RJQKCGZCEYSZMN-UHFFFAOYSA-N 0 1 235.331 2.045 20 0 BEADMN Cc1nsc(Nc2cnn(C)c2C2CC2)n1 ZINC000770130334 585571110 /nfs/dbraw/zinc/57/11/10/585571110.db2.gz JHKBWRPPSZBOGU-UHFFFAOYSA-N 0 1 235.316 2.201 20 0 BEADMN C/C=C\C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000770256201 585572294 /nfs/dbraw/zinc/57/22/94/585572294.db2.gz ADTVJUAJZQUJCU-ARJAWSKDSA-N 0 1 215.256 2.386 20 0 BEADMN O=C(OCC1CC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000770572584 585576939 /nfs/dbraw/zinc/57/69/39/585576939.db2.gz DKECWEQOQKHAPP-UHFFFAOYSA-N 0 1 243.266 2.039 20 0 BEADMN Cc1nc(COC(=O)C(C)(C)CC(C)C)n[nH]1 ZINC000770637911 585578499 /nfs/dbraw/zinc/57/84/99/585578499.db2.gz WCKJTBFOVCGWBY-UHFFFAOYSA-N 0 1 239.319 2.229 20 0 BEADMN COCCN(CCC(C)=O)Cc1cccs1 ZINC000771064083 585589579 /nfs/dbraw/zinc/58/95/79/585589579.db2.gz HQGWITICPNRNAF-UHFFFAOYSA-N 0 1 241.356 2.176 20 0 BEADMN OC[C@@]1(NCc2ccoc2)CCc2ccccc21 ZINC000771199741 585591698 /nfs/dbraw/zinc/59/16/98/585591698.db2.gz JQGXVZIXOBLIHR-HNNXBMFYSA-N 0 1 243.306 2.203 20 0 BEADMN O=C(OC1CCC1)c1ccc(-c2nnc[nH]2)cc1 ZINC000771530710 585595734 /nfs/dbraw/zinc/59/57/34/585595734.db2.gz KAIJXFUDSDEZNU-UHFFFAOYSA-N 0 1 243.266 2.181 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000771948288 585605223 /nfs/dbraw/zinc/60/52/23/585605223.db2.gz KLCZHJAETNIQBQ-KHPPLWFESA-N 0 1 238.375 2.189 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000771944396 585605269 /nfs/dbraw/zinc/60/52/69/585605269.db2.gz WEMCMKLWTVDDFW-UCQJPZFISA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H](Cc1cnccn1)N[C@@H](C)c1nccs1 ZINC000772448127 585616014 /nfs/dbraw/zinc/61/60/14/585616014.db2.gz QNAPJJIGGJDDRO-UWVGGRQHSA-N 0 1 248.355 2.215 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)NCc1cnc[nH]1 ZINC000773102552 585631584 /nfs/dbraw/zinc/63/15/84/585631584.db2.gz YWBLGRINLGJHFK-UITAMQMPSA-N 0 1 221.304 2.018 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773124322 585631937 /nfs/dbraw/zinc/63/19/37/585631937.db2.gz XKPWZKYXFNFEMI-ONGXEEELSA-N 0 1 232.331 2.468 20 0 BEADMN CCc1cnccc1[C@@H](C)NC(=O)C(F)(F)F ZINC000773772991 585643585 /nfs/dbraw/zinc/64/35/85/585643585.db2.gz ZIBPSKLJJFNCCS-SSDOTTSWSA-N 0 1 246.232 2.384 20 0 BEADMN Cc1ccccc1C[C@H](C)N(C)CC1OCCO1 ZINC000773933206 585646735 /nfs/dbraw/zinc/64/67/35/585646735.db2.gz BKQIFZDCWFJOTQ-ZDUSSCGKSA-N 0 1 249.354 2.231 20 0 BEADMN Cc1nc(COC(=O)[C@H](C)CC(C)(C)C)n[nH]1 ZINC000774192550 585653223 /nfs/dbraw/zinc/65/32/23/585653223.db2.gz JUADDMCQTLXMJQ-MRVPVSSYSA-N 0 1 239.319 2.229 20 0 BEADMN CCn1cc(CN(C)C[C@@H]2CCC=CO2)cn1 ZINC000774886747 585668721 /nfs/dbraw/zinc/66/87/21/585668721.db2.gz WVMJIVNCTUIVBQ-ZDUSSCGKSA-N 0 1 235.331 2.028 20 0 BEADMN CN(Cc1cccn1C)C[C@H]1CCC=CO1 ZINC000774904185 585668879 /nfs/dbraw/zinc/66/88/79/585668879.db2.gz PVQRYBBLSDWXBC-CYBMUJFWSA-N 0 1 220.316 2.150 20 0 BEADMN COc1ccc(CN(C)C[C@H]2CCC=CO2)cn1 ZINC000775059805 585671244 /nfs/dbraw/zinc/67/12/44/585671244.db2.gz RUIIEUZZQICPAX-CYBMUJFWSA-N 0 1 248.326 2.215 20 0 BEADMN C[C@H](NCCNc1ccccc1)c1nccn1C ZINC000775394543 585677335 /nfs/dbraw/zinc/67/73/35/585677335.db2.gz FZYBLAOBRKDVFG-LBPRGKRZSA-N 0 1 244.342 2.183 20 0 BEADMN C[C@@H]1CCOCCN1CCC(F)(F)F ZINC000775568819 585680060 /nfs/dbraw/zinc/68/00/60/585680060.db2.gz XGUZDEWFMVCLTC-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN C[C@@H]1CN(Cc2coc(C3CC3)n2)[C@@H](C)CN1C ZINC000775984450 585688970 /nfs/dbraw/zinc/68/89/70/585688970.db2.gz GIHMWVZEQQNANU-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN CC[C@H]1CC[C@H](C)N1CC(=O)OCC(C)C ZINC000776596883 585702252 /nfs/dbraw/zinc/70/22/52/585702252.db2.gz ABCQMWBUSLGINA-RYUDHWBXSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1CC(=O)OCC(C)C ZINC000776596878 585702473 /nfs/dbraw/zinc/70/24/73/585702473.db2.gz ABCQMWBUSLGINA-NEPJUHHUSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)N(Cc1ccccc1)Cn1cnnc1 ZINC000776756181 585703837 /nfs/dbraw/zinc/70/38/37/585703837.db2.gz LNESJQAIYDAZAK-UHFFFAOYSA-N 0 1 230.315 2.146 20 0 BEADMN CCN(Cc1ccc(C)cc1)CC1OCCO1 ZINC000777566403 585715418 /nfs/dbraw/zinc/71/54/18/585715418.db2.gz RXHIXAWOLAQZJV-UHFFFAOYSA-N 0 1 235.327 2.190 20 0 BEADMN C[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1F ZINC000778238601 585728779 /nfs/dbraw/zinc/72/87/79/585728779.db2.gz UDDHRRQHEZFDAX-BNOWGMLFSA-N 0 1 237.318 2.400 20 0 BEADMN C[C@@H](C(=O)OC[C@@H]1C[C@H]1C)N1CCCCCC1 ZINC000778617249 585738283 /nfs/dbraw/zinc/73/82/83/585738283.db2.gz GXMMDJMPYAUWOB-AGIUHOORSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@H](C(=O)O[C@@H](C)CCOC)N(CC)CC ZINC000778690947 585739512 /nfs/dbraw/zinc/73/95/12/585739512.db2.gz WJRZUOFCSZJCSZ-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN O[C@@H](CN1CC=CCC1)c1ccccc1F ZINC000778969297 585742939 /nfs/dbraw/zinc/74/29/39/585742939.db2.gz JJIABXYNRWQKKG-ZDUSSCGKSA-N 0 1 221.275 2.121 20 0 BEADMN O[C@@H](CN1CC=CCC1)c1ccc(F)c(F)c1 ZINC000778969798 585743308 /nfs/dbraw/zinc/74/33/08/585743308.db2.gz SDBCMZQVTRYMTD-ZDUSSCGKSA-N 0 1 239.265 2.260 20 0 BEADMN CC/C(C)=C(/C)C(=O)NCc1cn[nH]c1C ZINC000780906372 585786133 /nfs/dbraw/zinc/78/61/33/585786133.db2.gz LMFMRYZGXGNLHB-HJWRWDBZSA-N 0 1 221.304 2.081 20 0 BEADMN CC/C(C)=C(\C)C(=O)NCc1cc(CC)[nH]n1 ZINC000780940007 585786821 /nfs/dbraw/zinc/78/68/21/585786821.db2.gz MMINBENICKRORJ-MDZDMXLPSA-N 0 1 235.331 2.335 20 0 BEADMN CC/C(C)=C(\C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000780986522 585787844 /nfs/dbraw/zinc/78/78/44/585787844.db2.gz NIZRIIMNMLMHIA-PBQZMEPESA-N 0 1 247.342 2.130 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000781609635 585800277 /nfs/dbraw/zinc/80/02/77/585800277.db2.gz ZCSFKUOJIQCENE-GMTAPVOTSA-N 0 1 247.342 2.134 20 0 BEADMN CCN(CCc1ccccn1)Cc1cnoc1C ZINC000782513283 585819157 /nfs/dbraw/zinc/81/91/57/585819157.db2.gz YIXFQCYFTZXKMA-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN OC[C@]12C[C@H]1CN(Cc1ccc(Cl)cc1)C2 ZINC000782616054 585822601 /nfs/dbraw/zinc/82/26/01/585822601.db2.gz LRUWELDTMVRBLR-WCQYABFASA-N 0 1 237.730 2.154 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)[C@H](C)[C@@H](C)O1 ZINC000782619247 585822915 /nfs/dbraw/zinc/82/29/15/585822915.db2.gz DYLJGWKQZWZDJJ-BHPKHCPMSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@H]1CN(CCCc2ccsc2)CC[N@@H+]1C ZINC000782958329 585826689 /nfs/dbraw/zinc/82/66/89/585826689.db2.gz DWDAWWKIJRPJTB-LBPRGKRZSA-N 0 1 238.400 2.317 20 0 BEADMN CCCC(N)=NOC[C@@H]1CCO[C@H](C)C1 ZINC000783025949 585827195 /nfs/dbraw/zinc/82/71/95/585827195.db2.gz CLGZBTSTUWWGQR-NXEZZACHSA-N 0 1 214.309 2.100 20 0 BEADMN C[C@@H]1CC[C@H]1Nc1cnn(-c2ccncc2)c1 ZINC000783285398 585832998 /nfs/dbraw/zinc/83/29/98/585832998.db2.gz QQBPRGAEPCJNJW-ZWNOBZJWSA-N 0 1 228.299 2.478 20 0 BEADMN C[C@@H]1CC[C@@H]1Nc1cnn(-c2ccncc2)c1 ZINC000783285394 585833049 /nfs/dbraw/zinc/83/30/49/585833049.db2.gz QQBPRGAEPCJNJW-MFKMUULPSA-N 0 1 228.299 2.478 20 0 BEADMN C[C@@H]1C[C@H](c2cccnc2)N(CCF)C1 ZINC000805750357 585840479 /nfs/dbraw/zinc/84/04/79/585840479.db2.gz JDYXXHPJGNDRJG-ZYHUDNBSSA-N 0 1 208.280 2.434 20 0 BEADMN C[C@@H](CO)N(Cc1cscn1)C1CCCC1 ZINC000805751093 585841945 /nfs/dbraw/zinc/84/19/45/585841945.db2.gz CNHRINGIVLHRSY-JTQLQIEISA-N 0 1 240.372 2.269 20 0 BEADMN C[C@H](CO)N(Cc1cscn1)C1CCCC1 ZINC000805751096 585841969 /nfs/dbraw/zinc/84/19/69/585841969.db2.gz CNHRINGIVLHRSY-SNVBAGLBSA-N 0 1 240.372 2.269 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cn2ccsc2=O)C1 ZINC000784036138 585847626 /nfs/dbraw/zinc/84/76/26/585847626.db2.gz SEHRZGJPCVRWEV-SNVBAGLBSA-N 0 1 240.372 2.235 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OCC1CCC1 ZINC000785740758 585879224 /nfs/dbraw/zinc/87/92/24/585879224.db2.gz KJPHEELXQXIKTL-QWRGUYRKSA-N 0 1 225.332 2.203 20 0 BEADMN CC[C@H](C(=O)O[C@H](C)C(F)F)N(CC)CC ZINC000786507713 585893042 /nfs/dbraw/zinc/89/30/42/585893042.db2.gz OQBKBCGBMZAVJN-RKDXNWHRSA-N 0 1 237.290 2.304 20 0 BEADMN CC(C)(C)C[C@@H]1CC(=O)N(CN2CCCC2)C1 ZINC000787205392 585903289 /nfs/dbraw/zinc/90/32/89/585903289.db2.gz JRIHNKFDJQQCHC-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CCOC(=O)[C@@H](C)[N@@H+](C[Si](C)(C)C)C1CC1 ZINC000787364542 585908006 /nfs/dbraw/zinc/90/80/06/585908006.db2.gz QVQWSMZWPCSKGW-SNVBAGLBSA-N 0 1 243.423 2.280 20 0 BEADMN O=C(N[C@@H](C1CCCC1)C(F)(F)F)C(F)F ZINC000787419704 585909356 /nfs/dbraw/zinc/90/93/56/585909356.db2.gz ZBKMOBLKUZXOOP-LURJTMIESA-N 0 1 245.191 2.489 20 0 BEADMN Cc1nonc1CN(C)C1CCC(F)(F)CC1 ZINC000805840330 585910357 /nfs/dbraw/zinc/91/03/57/585910357.db2.gz QBAIERQDRDPOBJ-UHFFFAOYSA-N 0 1 245.273 2.388 20 0 BEADMN C=Cc1ccc(C(=O)OCc2n[nH]c(C)n2)cc1 ZINC000788203122 585919072 /nfs/dbraw/zinc/91/90/72/585919072.db2.gz NPEVIVPYOXKGBI-UHFFFAOYSA-N 0 1 243.266 2.113 20 0 BEADMN CC1(C)CN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000788435647 585923196 /nfs/dbraw/zinc/92/31/96/585923196.db2.gz WPYKYOPFPZOYSI-LBPRGKRZSA-N 0 1 223.291 2.201 20 0 BEADMN Cc1cc([C@H]2CCCN2CCC[C@H](C)O)no1 ZINC000789304822 585939274 /nfs/dbraw/zinc/93/92/74/585939274.db2.gz FFPDBPFBIFLEPG-GXFFZTMASA-N 0 1 238.331 2.281 20 0 BEADMN CC(C)[C@@H](C(=O)OCC(C)(C)C)N(C)C ZINC000789802868 585950436 /nfs/dbraw/zinc/95/04/36/585950436.db2.gz OOTSETWHCUDQFP-JTQLQIEISA-N 0 1 215.337 2.162 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccc2ccccc2c1 ZINC000789926202 585953229 /nfs/dbraw/zinc/95/32/29/585953229.db2.gz CTRWCMYMGQMHPP-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN CC(C)[C@H](C(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789925670 585953495 /nfs/dbraw/zinc/95/34/95/585953495.db2.gz IAJXGZMFMYTHRO-LBPRGKRZSA-N 0 1 244.298 2.183 20 0 BEADMN CC(C)C(N)=NOCCCC1CCOCC1 ZINC000790437143 585964516 /nfs/dbraw/zinc/96/45/16/585964516.db2.gz DJMCURWEJKDVIU-UHFFFAOYSA-N 0 1 228.336 2.348 20 0 BEADMN C[C@H]1CSCCN(Cc2ccnc(F)c2)C1 ZINC000859276147 589026916 /nfs/dbraw/zinc/02/69/16/589026916.db2.gz GHDHZJBXSGIEOM-SNVBAGLBSA-N 0 1 240.347 2.406 20 0 BEADMN CCCCCCNC(=O)CN1[C@H](C)C[C@@H]1C ZINC000791565105 585984145 /nfs/dbraw/zinc/98/41/45/585984145.db2.gz FCCHIMCGZIODBP-TXEJJXNPSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccc(F)cc1F ZINC000791575502 585984873 /nfs/dbraw/zinc/98/48/73/585984873.db2.gz WQPUWBIWYCEOTL-VYUIOLGVSA-N 0 1 241.281 2.481 20 0 BEADMN CCOC[C@@H](C)OC(=O)[C@H](CC)N(CC)CC ZINC000792034017 585994353 /nfs/dbraw/zinc/99/43/53/585994353.db2.gz OREVPOVFXANSQZ-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)C(N)=NOCCN1CCc2ccccc21 ZINC000793845954 586027644 /nfs/dbraw/zinc/02/76/44/586027644.db2.gz YLISFFHSGHRQCI-UHFFFAOYSA-N 0 1 247.342 2.204 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1ccc(C)cc1 ZINC000794414459 586039013 /nfs/dbraw/zinc/03/90/13/586039013.db2.gz RXTRGIFJXFSECE-UHFFFAOYSA-N 0 1 230.315 2.448 20 0 BEADMN CC1=C(C)CN(CN2CCSC2=S)CC1 ZINC000794881257 586053150 /nfs/dbraw/zinc/05/31/50/586053150.db2.gz NQXCBUXOWBAFQS-UHFFFAOYSA-N 0 1 242.413 2.320 20 0 BEADMN CC1=C(C)CN(CN2C(=O)CC23CCC3)CC1 ZINC000794879370 586053246 /nfs/dbraw/zinc/05/32/46/586053246.db2.gz HMTJWPFMPQTYMY-UHFFFAOYSA-N 0 1 234.343 2.141 20 0 BEADMN CC[C@H]1CN(Cc2ccnc(F)c2)CCCO1 ZINC000859291356 589028462 /nfs/dbraw/zinc/02/84/62/589028462.db2.gz HCRKWECVKINWPU-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@@H]1CN(Cc2ccnc(F)c2)CCCO1 ZINC000859291354 589028693 /nfs/dbraw/zinc/02/86/93/589028693.db2.gz HCRKWECVKINWPU-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H]1CCCCN1CC(N)=NOCCCCF ZINC000795210584 586072018 /nfs/dbraw/zinc/07/20/18/586072018.db2.gz UDDCURPJFWNOOK-NSHDSACASA-N 0 1 245.342 2.109 20 0 BEADMN CN(CC1CC(C)(C)C1)[C@@H]1CC(C)(C)OC1=O ZINC000859314530 589029147 /nfs/dbraw/zinc/02/91/47/589029147.db2.gz VWZXDWDVWVHLDK-LLVKDONJSA-N 0 1 239.359 2.449 20 0 BEADMN CN(CN1C[C@@H](C(F)F)CC1=O)CC(C)(C)C ZINC000795427045 586078312 /nfs/dbraw/zinc/07/83/12/586078312.db2.gz IDYNJSFVEIGXCW-VIFPVBQESA-N 0 1 248.317 2.035 20 0 BEADMN C/C=C(\CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795533511 586083455 /nfs/dbraw/zinc/08/34/55/586083455.db2.gz XUZDPOMGUJRJOO-WEVVVXLNSA-N 0 1 237.303 2.328 20 0 BEADMN C/C=C(\CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795533511 586083456 /nfs/dbraw/zinc/08/34/56/586083456.db2.gz XUZDPOMGUJRJOO-WEVVVXLNSA-N 0 1 237.303 2.328 20 0 BEADMN CCN1CCN(C/C(Cl)=C/Cl)[C@@H](C)C1 ZINC000796316252 586100485 /nfs/dbraw/zinc/10/04/85/586100485.db2.gz NIEALUKDKWLAIV-LKJZUNMESA-N 0 1 237.174 2.331 20 0 BEADMN CCc1cc(CNC(=O)CC[C@@H](C)CC)n[nH]1 ZINC000796391844 586102430 /nfs/dbraw/zinc/10/24/30/586102430.db2.gz PZTKSDZJFCSGKQ-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CN(CCOc1cccc(F)c1)Cc1cnc[nH]1 ZINC000796459536 586104265 /nfs/dbraw/zinc/10/42/65/586104265.db2.gz YGPGXHAZJSIIDS-UHFFFAOYSA-N 0 1 249.289 2.060 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000797417655 586126472 /nfs/dbraw/zinc/12/64/72/586126472.db2.gz RCYRSUYNJGKMLN-FZMZJTMJSA-N 0 1 248.370 2.100 20 0 BEADMN CC[C@H]1CC(=O)N(CN2CC(C)=C[C@H](C)C2)C1 ZINC000797416057 586126752 /nfs/dbraw/zinc/12/67/52/586126752.db2.gz GJSMMLXOALLGOS-AAEUAGOBSA-N 0 1 236.359 2.100 20 0 BEADMN CC(C)[C@@H](C(=O)OCc1cccs1)N(C)C ZINC000798818284 586150416 /nfs/dbraw/zinc/15/04/16/586150416.db2.gz PMLUHJKQVCPEME-NSHDSACASA-N 0 1 241.356 2.378 20 0 BEADMN CCCCCOC(=O)[C@H](C(C)C)N(C)C ZINC000798818578 586150476 /nfs/dbraw/zinc/15/04/76/586150476.db2.gz YPUCDCKBBXFCQP-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1CC=CCC1)N(C)C ZINC000798824314 586150645 /nfs/dbraw/zinc/15/06/45/586150645.db2.gz GLIJHPDDESYQLD-STQMWFEESA-N 0 1 239.359 2.472 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1CC=CCC1)N(C)C ZINC000798824312 586150780 /nfs/dbraw/zinc/15/07/80/586150780.db2.gz GLIJHPDDESYQLD-OLZOCXBDSA-N 0 1 239.359 2.472 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1CCCS1)N(C)C ZINC000798837908 586151127 /nfs/dbraw/zinc/15/11/27/586151127.db2.gz ZVQQSTDTOKBHQY-MNOVXSKESA-N 0 1 245.388 2.011 20 0 BEADMN CC[C@H](C)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798847643 586151638 /nfs/dbraw/zinc/15/16/38/586151638.db2.gz PVACTGAOGLYNFD-WDEREUQCSA-N 0 1 215.337 2.162 20 0 BEADMN CS[C@H](C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798865367 586152123 /nfs/dbraw/zinc/15/21/23/586152123.db2.gz YVHLJFGIUVRXTF-AXFHLTTASA-N 0 1 247.404 2.256 20 0 BEADMN CS[C@@H](C)[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C ZINC000798865369 586152159 /nfs/dbraw/zinc/15/21/59/586152159.db2.gz YVHLJFGIUVRXTF-GARJFASQSA-N 0 1 247.404 2.256 20 0 BEADMN CC1=C(c2ccco2)C[N@@H+](Cn2cnnc2)CC1 ZINC000800866383 586234651 /nfs/dbraw/zinc/23/46/51/586234651.db2.gz FXWRNGQJRZPLFE-UHFFFAOYSA-N 0 1 244.298 2.008 20 0 BEADMN CC1=C(c2ccco2)CN(Cn2cnnc2)CC1 ZINC000800866383 586234653 /nfs/dbraw/zinc/23/46/53/586234653.db2.gz FXWRNGQJRZPLFE-UHFFFAOYSA-N 0 1 244.298 2.008 20 0 BEADMN CC(C)(C)CCN1CCO[C@H](C(F)F)C1 ZINC000801560686 586262413 /nfs/dbraw/zinc/26/24/13/586262413.db2.gz LOLKZTFPDWTECU-VIFPVBQESA-N 0 1 221.291 2.389 20 0 BEADMN CCC(CC)CN1CCO[C@@H](C(F)F)C1 ZINC000802653734 586307474 /nfs/dbraw/zinc/30/74/74/586307474.db2.gz ROSIACNGFKZRDE-SNVBAGLBSA-N 0 1 221.291 2.389 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)Cc1[nH]nc2ccccc21 ZINC000859520256 589042348 /nfs/dbraw/zinc/04/23/48/589042348.db2.gz HOPCMJNFWYICEM-NXEZZACHSA-N 0 1 244.294 2.305 20 0 BEADMN C[C@H]1CN(CN2CCC(C)(C)CC2)C(=O)[C@@H]1C ZINC000839987898 586331891 /nfs/dbraw/zinc/33/18/91/586331891.db2.gz SKBFQFGQWMXCDU-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN CCCN(CN1C[C@@H]2CCC[C@@H]2C1=O)C1CC1 ZINC000839990833 586333990 /nfs/dbraw/zinc/33/39/90/586333990.db2.gz KQGZFYNSCDIDAM-AAEUAGOBSA-N 0 1 236.359 2.077 20 0 BEADMN O=C(OCCF)c1ccc(O)c(Cl)c1 ZINC000803225030 586338832 /nfs/dbraw/zinc/33/88/32/586338832.db2.gz IXNZATARFUTTRC-UHFFFAOYSA-N 0 1 218.611 2.172 20 0 BEADMN O=C(OCCCCF)[C@@H]1CCCc2[nH]ncc21 ZINC000803390812 586349887 /nfs/dbraw/zinc/34/98/87/586349887.db2.gz LPYHTBVEOQJYNX-SECBINFHSA-N 0 1 240.278 2.123 20 0 BEADMN CCN(CN1C[C@H]2CCC[C@H]2C1=O)C1CCC1 ZINC000840000596 586352850 /nfs/dbraw/zinc/35/28/50/586352850.db2.gz PWYJDLSZBNORFA-DGCLKSJQSA-N 0 1 236.359 2.077 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCCCF ZINC000803487823 586361222 /nfs/dbraw/zinc/36/12/22/586361222.db2.gz NXAOQPVUPRXUEG-GHMZBOCLSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)[C@@H](C(=O)OCCCCCF)N(C)C ZINC000803492697 586361704 /nfs/dbraw/zinc/36/17/04/586361704.db2.gz GKRKZWOVGKCEJK-NSHDSACASA-N 0 1 233.327 2.256 20 0 BEADMN CCCCCC(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840005679 586366010 /nfs/dbraw/zinc/36/60/10/586366010.db2.gz ZNNBYWPBLHIBFN-QMMMGPOBSA-N 0 1 225.292 2.298 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CC2CCCC2)n[nH]1 ZINC000840013987 586368781 /nfs/dbraw/zinc/36/87/81/586368781.db2.gz YOWYKRDYQTTZME-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccccc2)n[nH]1 ZINC000840014775 586369931 /nfs/dbraw/zinc/36/99/31/586369931.db2.gz KFQUQVBZZRNBOW-MRVPVSSYSA-N 0 1 231.255 2.031 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840015794 586372706 /nfs/dbraw/zinc/37/27/06/586372706.db2.gz RXXMDIVNGGBGFG-HONMWMINSA-N 0 1 248.370 2.075 20 0 BEADMN C[C@@H](N(C)CN1CCC(C)(C)C1=O)C1(C)CC1 ZINC000840025960 586383578 /nfs/dbraw/zinc/38/35/78/586383578.db2.gz ZYDJLQQIMGJCKY-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(CC)C[C@@H]1C ZINC000804380266 586393984 /nfs/dbraw/zinc/39/39/84/586393984.db2.gz SVMAFAAGJVGNMV-XSNHNAGMSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000804382194 586394719 /nfs/dbraw/zinc/39/47/19/586394719.db2.gz XOMRXDDFIKBLKK-OWRWYXLESA-N 0 1 238.375 2.285 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(CC)C[C@H]1C ZINC000804382195 586394807 /nfs/dbraw/zinc/39/48/07/586394807.db2.gz XOMRXDDFIKBLKK-RVROTUBLSA-N 0 1 238.375 2.285 20 0 BEADMN CCc1cc(CNc2ncc(SC)cn2)n[nH]1 ZINC000804451434 586396102 /nfs/dbraw/zinc/39/61/02/586396102.db2.gz JOABDLUEKRDWFJ-UHFFFAOYSA-N 0 1 249.343 2.096 20 0 BEADMN CCN(CCC1CC1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840046716 586397161 /nfs/dbraw/zinc/39/71/61/586397161.db2.gz CKCQUASXVOFJCN-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@H](CCC1CCCC1)NCc1cnn(C)n1 ZINC000806165147 586406730 /nfs/dbraw/zinc/40/67/30/586406730.db2.gz DDUWSVVAIYBNPS-LLVKDONJSA-N 0 1 236.363 2.264 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@H]3CCC[C@H]3C2=O)C1 ZINC000840068143 586416010 /nfs/dbraw/zinc/41/60/10/586416010.db2.gz XPUOWIOWUTVPHF-IACUBPJLSA-N 0 1 248.370 2.100 20 0 BEADMN C[C@H]1CCN(CN2CCC3(CCC3)CC2)C1=O ZINC000840070970 586417178 /nfs/dbraw/zinc/41/71/78/586417178.db2.gz JTPJTBPOPMSOHD-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN(C)CC(C)C)C1 ZINC000808144618 586464745 /nfs/dbraw/zinc/46/47/45/586464745.db2.gz IQGGOFNFRYVZTQ-CYBMUJFWSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@H](N(C)CN1CC(C)(C)CC1=O)C1(C)CC1 ZINC000808168452 586466300 /nfs/dbraw/zinc/46/63/00/586466300.db2.gz NWVVXEITDAENBK-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCC(=O)C(C)C ZINC000808709183 586483351 /nfs/dbraw/zinc/48/33/51/586483351.db2.gz QJMVMDDFFPSYCA-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000808778078 586489469 /nfs/dbraw/zinc/48/94/69/586489469.db2.gz LYNLTSGRMHVRHV-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000808778080 586489940 /nfs/dbraw/zinc/48/99/40/586489940.db2.gz LYNLTSGRMHVRHV-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H]1C(=O)N(CN(C)C2CC(C)(C)C2)C[C@H]1C ZINC000840163317 586501382 /nfs/dbraw/zinc/50/13/82/586501382.db2.gz HMISDDWHXWNVTF-GHMZBOCLSA-N 0 1 238.375 2.179 20 0 BEADMN CN(CN1CCSC1=S)C1CC(C)(C)C1 ZINC000840163664 586501722 /nfs/dbraw/zinc/50/17/22/586501722.db2.gz JPSYKDLELZUBGW-UHFFFAOYSA-N 0 1 244.429 2.398 20 0 BEADMN CCN1CCN(Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC000809698253 586513597 /nfs/dbraw/zinc/51/35/97/586513597.db2.gz WRVKBPLSAYCCDQ-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1nonc1CNC1CCC(C(F)F)CC1 ZINC000809743737 586516667 /nfs/dbraw/zinc/51/66/67/586516667.db2.gz BSWSCQUGLRLQJK-UHFFFAOYSA-N 0 1 245.273 2.292 20 0 BEADMN CC(C)CN(Cc1cnn(C)n1)CC(C)(C)C ZINC000809953365 586525981 /nfs/dbraw/zinc/52/59/81/586525981.db2.gz MIDONUZRFQZIHQ-UHFFFAOYSA-N 0 1 238.379 2.319 20 0 BEADMN CCc1cc(CN[C@H](C)c2cc(C)on2)n[nH]1 ZINC000810218071 586536955 /nfs/dbraw/zinc/53/69/55/586536955.db2.gz OIDYJVOLOSAHTE-SECBINFHSA-N 0 1 234.303 2.119 20 0 BEADMN Cc1nc([C@H](C)SC2=N[C@@H](C)CS2)n[nH]1 ZINC000840202601 586538677 /nfs/dbraw/zinc/53/86/77/586538677.db2.gz GJJNBSIRFIRTBY-WDSKDSINSA-N 0 1 242.373 2.399 20 0 BEADMN CCC[C@@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840208902 586546454 /nfs/dbraw/zinc/54/64/54/586546454.db2.gz NOTAMZDJNNAKHI-HTQZYQBOSA-N 0 1 225.292 2.154 20 0 BEADMN CCC[C@@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840208905 586546460 /nfs/dbraw/zinc/54/64/60/586546460.db2.gz NOTAMZDJNNAKHI-SFYZADRCSA-N 0 1 225.292 2.154 20 0 BEADMN CCC/C(C)=C/C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840218128 586551827 /nfs/dbraw/zinc/55/18/27/586551827.db2.gz IKTWQWANAQVXTA-FCZSHJHJSA-N 0 1 237.303 2.464 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC000840226576 586556181 /nfs/dbraw/zinc/55/61/81/586556181.db2.gz YNALBONUPVFGPH-JGVFFNPUSA-N 0 1 237.303 2.154 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H](C)c2ccco2)n[nH]1 ZINC000840231462 586560417 /nfs/dbraw/zinc/56/04/17/586560417.db2.gz DJQRBBDEKLVMDR-HTQZYQBOSA-N 0 1 249.270 2.114 20 0 BEADMN O[C@@H](CN1CC(C2CC2)C1)c1cccc(F)c1 ZINC000812313457 586573216 /nfs/dbraw/zinc/57/32/16/586573216.db2.gz WEOXXVYTONYZLQ-AWEZNQCLSA-N 0 1 235.302 2.201 20 0 BEADMN O[C@H](CN1CC(C2CC2)C1)c1ccccc1F ZINC000812313429 586573322 /nfs/dbraw/zinc/57/33/22/586573322.db2.gz VJFNZKQVGFSQKX-CQSZACIVSA-N 0 1 235.302 2.201 20 0 BEADMN c1n[nH]cc1CNc1cc2c(cn1)CCCC2 ZINC000812345517 586574391 /nfs/dbraw/zinc/57/43/91/586574391.db2.gz CDPJTNPUUHWHGH-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN Cc1nc(CSc2nc(C)c(C)s2)n[nH]1 ZINC000813573089 586603598 /nfs/dbraw/zinc/60/35/98/586603598.db2.gz YOIMOXPSIBAFDG-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3cc(Cl)cs3)C[C@H]12 ZINC000814172487 586615359 /nfs/dbraw/zinc/61/53/59/586615359.db2.gz PGHMGOJJNRUOPI-URLYPYJESA-N 0 1 243.759 2.072 20 0 BEADMN CC=CC=CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814358108 586621495 /nfs/dbraw/zinc/62/14/95/586621495.db2.gz BVOIQHUMHWOCBB-BSWSSELBSA-N 0 1 249.314 2.278 20 0 BEADMN CC=CC=CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814358108 586621496 /nfs/dbraw/zinc/62/14/96/586621496.db2.gz BVOIQHUMHWOCBB-BSWSSELBSA-N 0 1 249.314 2.278 20 0 BEADMN Cn1ncc(CNCC(C)(C)C2=CCCCC2)n1 ZINC000815135979 586669743 /nfs/dbraw/zinc/66/97/43/586669743.db2.gz MCSKDLSNRKEZAO-UHFFFAOYSA-N 0 1 248.374 2.431 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2OCCO3)[C@@H]1C ZINC000815163084 586671212 /nfs/dbraw/zinc/67/12/12/586671212.db2.gz OKMVTSJWUBSYLW-GHMZBOCLSA-N 0 1 233.311 2.298 20 0 BEADMN CCCCCCNC(=O)CN1C[C@H](C)[C@H]1C ZINC000815162005 586671215 /nfs/dbraw/zinc/67/12/15/586671215.db2.gz GCSQXVCHHIIEQR-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1nn(C)c2ncc(CN3C[C@H](C)[C@H]3C)cc12 ZINC000815162609 586671255 /nfs/dbraw/zinc/67/12/55/586671255.db2.gz LPXRCKFXYAUUFV-GXSJLCMTSA-N 0 1 244.342 2.117 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2cccc(F)c2)[C@@H]1C ZINC000815163096 586671747 /nfs/dbraw/zinc/67/17/47/586671747.db2.gz HAPBGFMVAQBQQY-GIPNMCIBSA-N 0 1 223.291 2.199 20 0 BEADMN Cc1ccoc1COC(=O)[C@H](C(C)C)N(C)C ZINC000816102860 586708403 /nfs/dbraw/zinc/70/84/03/586708403.db2.gz AYDHOWIFDVVTMF-LBPRGKRZSA-N 0 1 239.315 2.217 20 0 BEADMN CN(Cc1cnn(C)c1Cl)C1CCCC1 ZINC000816483160 586735728 /nfs/dbraw/zinc/73/57/28/586735728.db2.gz IBVSCGXOIIOJPF-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN CC[C@H](C)N(C)Cc1cnn(C)c1Cl ZINC000816487081 586735838 /nfs/dbraw/zinc/73/58/38/586735838.db2.gz CLZZXUXZTCZENP-QMMMGPOBSA-N 0 1 215.728 2.304 20 0 BEADMN Cc1sccc1CN1CCC2(C1)OCCO2 ZINC000816502835 586737511 /nfs/dbraw/zinc/73/75/11/586737511.db2.gz SBENZEJMYJQHBP-UHFFFAOYSA-N 0 1 239.340 2.005 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000859809754 589062462 /nfs/dbraw/zinc/06/24/62/589062462.db2.gz XXJCWQKIPIMAJT-GFCCVEGCSA-N 0 1 245.278 2.339 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000859809483 589062624 /nfs/dbraw/zinc/06/26/24/589062624.db2.gz USGVRFWJQVFKGC-AVGNSLFASA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2OCO3)[C@@H]1C ZINC000816649152 586751409 /nfs/dbraw/zinc/75/14/09/586751409.db2.gz VAHFYSHMXFGVJS-NXEZZACHSA-N 0 1 219.284 2.256 20 0 BEADMN Cc1cccn2c(CN3C[C@@H](C)[C@H]3C)cnc12 ZINC000816649698 586752508 /nfs/dbraw/zinc/75/25/08/586752508.db2.gz HODDNACNQNRICJ-VXGBXAGGSA-N 0 1 229.327 2.483 20 0 BEADMN C=C=CCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000816700175 586758398 /nfs/dbraw/zinc/75/83/98/586758398.db2.gz RJEPCJNXNRQWAT-CQSZACIVSA-N 0 1 244.338 2.137 20 0 BEADMN CC[C@H](C)CONC(=O)[C@@H]1CC1(Cl)Cl ZINC000816978752 586777714 /nfs/dbraw/zinc/77/77/14/586777714.db2.gz APMKDFAYLFDQNK-BQBZGAKWSA-N 0 1 240.130 2.274 20 0 BEADMN O=C(NOCCC1CC1)[C@H]1Cc2ccccc21 ZINC000817416787 586802528 /nfs/dbraw/zinc/80/25/28/586802528.db2.gz UQJLRCFBKQSMJD-ZDUSSCGKSA-N 0 1 231.295 2.174 20 0 BEADMN Cc1cn[nH]c1CNc1cc(C)n(C(C)C)n1 ZINC000817710914 586819013 /nfs/dbraw/zinc/81/90/13/586819013.db2.gz UAWIKYNZLBJTOE-UHFFFAOYSA-N 0 1 233.319 2.416 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818626202 586907734 /nfs/dbraw/zinc/90/77/34/586907734.db2.gz NYZXRUNVGYVHRC-UZQWBTNVSA-N 0 1 238.375 2.284 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818752528 586911211 /nfs/dbraw/zinc/91/12/11/586911211.db2.gz FDJQYUCBLMNXQK-SNVBAGLBSA-N 0 1 229.396 2.051 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000819895190 587001262 /nfs/dbraw/zinc/00/12/62/587001262.db2.gz BPUVESFPPLOHEC-VIFPVBQESA-N 0 1 232.283 2.073 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])Cc1ccc(Cl)o1 ZINC000820015354 587012618 /nfs/dbraw/zinc/01/26/18/587012618.db2.gz MVBPDJYXPSXJAW-UHFFFAOYSA-N 0 1 231.679 2.228 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)o1 ZINC000820015354 587012621 /nfs/dbraw/zinc/01/26/21/587012621.db2.gz MVBPDJYXPSXJAW-UHFFFAOYSA-N 0 1 231.679 2.228 20 0 BEADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000820023560 587013428 /nfs/dbraw/zinc/01/34/28/587013428.db2.gz RJCGALLOSDIKOE-GMTAPVOTSA-N 0 1 249.358 2.312 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC000820077142 587018760 /nfs/dbraw/zinc/01/87/60/587018760.db2.gz UOFNTZJKHCNUPW-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)(C)CCCNC(=O)CN1CCCC1 ZINC000820188078 587033306 /nfs/dbraw/zinc/03/33/06/587033306.db2.gz DINCPFPDPWEWNL-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN C[C@@H](NC(=O)C=CC(C)(C)C)c1ncc[nH]1 ZINC000820267842 587039492 /nfs/dbraw/zinc/03/94/92/587039492.db2.gz KHSIQLKLOXBYDO-SSJHQANKSA-N 0 1 221.304 2.189 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)CN1CCCC1 ZINC000820330475 587043294 /nfs/dbraw/zinc/04/32/94/587043294.db2.gz WROFBBBNVHOBNP-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)CN1CCCC1 ZINC000820681699 587066295 /nfs/dbraw/zinc/06/62/95/587066295.db2.gz PFLJJZYIAQWKOE-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN COc1cc([C@@H](C)NC[C@@H](C)SC)on1 ZINC000820830227 587075456 /nfs/dbraw/zinc/07/54/56/587075456.db2.gz QDRJGVAEJCPVDY-HTQZYQBOSA-N 0 1 230.333 2.085 20 0 BEADMN CCCC[C@](C)(F)C(=O)NCc1cn[nH]c1C ZINC000820977983 587085973 /nfs/dbraw/zinc/08/59/73/587085973.db2.gz WKDFJZIYSFIEKB-LBPRGKRZSA-N 0 1 241.310 2.253 20 0 BEADMN CCC[C@@H](CC)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000821105670 587095962 /nfs/dbraw/zinc/09/59/62/587095962.db2.gz DBFCNZWGWDMSSY-GHMZBOCLSA-N 0 1 249.358 2.210 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000840411625 587099710 /nfs/dbraw/zinc/09/97/10/587099710.db2.gz LWDWNOHNSRHYNH-WEDXCCLWSA-N 0 1 237.303 2.154 20 0 BEADMN CCC[C@H](CC)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000821323869 587107913 /nfs/dbraw/zinc/10/79/13/587107913.db2.gz IZGNHHGWQJZFNY-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000821479988 587121515 /nfs/dbraw/zinc/12/15/15/587121515.db2.gz ALKFAAHZVFHKAT-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000821511659 587124013 /nfs/dbraw/zinc/12/40/13/587124013.db2.gz OUHDPLDYMDTEIS-LBPRGKRZSA-N 0 1 237.274 2.063 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000821511251 587124229 /nfs/dbraw/zinc/12/42/29/587124229.db2.gz DWGSLKTXQANDFE-YYRQZUAOSA-N 0 1 249.285 2.245 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000821511590 587124250 /nfs/dbraw/zinc/12/42/50/587124250.db2.gz KKLCEKHFMYQDEB-MCIONIFRSA-N 0 1 245.322 2.197 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000821523974 587125228 /nfs/dbraw/zinc/12/52/28/587125228.db2.gz TWQUYKPHBUJKDW-ZDUSSCGKSA-N 0 1 233.311 2.168 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1cccc(F)c1O ZINC000822635785 587178508 /nfs/dbraw/zinc/17/85/08/587178508.db2.gz GPAXIGBSWAIGAI-VIFPVBQESA-N 0 1 223.247 2.060 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(CC)C[C@H]1C ZINC000822867225 587190072 /nfs/dbraw/zinc/19/00/72/587190072.db2.gz UUJRUJGAJWGKRB-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN c1cc(-c2noc([C@H]3CCCCN3)n2)ns1 ZINC000823264863 587212669 /nfs/dbraw/zinc/21/26/69/587212669.db2.gz XXLBRXKAHDPHIA-MRVPVSSYSA-N 0 1 236.300 2.008 20 0 BEADMN c1cc(-c2noc([C@@H]3CCCCN3)n2)ns1 ZINC000823264864 587212802 /nfs/dbraw/zinc/21/28/02/587212802.db2.gz XXLBRXKAHDPHIA-QMMMGPOBSA-N 0 1 236.300 2.008 20 0 BEADMN CC[C@@H]1CCCN(Cc2nn(CC)nc2C)C1 ZINC000823409367 587218756 /nfs/dbraw/zinc/21/87/56/587218756.db2.gz YVZSMAQALVXKQT-GFCCVEGCSA-N 0 1 236.363 2.228 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H]2C(C)C)n1 ZINC000823399960 587219711 /nfs/dbraw/zinc/21/97/11/587219711.db2.gz UJVYVMPNDLQVJU-CYBMUJFWSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN(CC2CC2)C(C)C)n1 ZINC000823408173 587220109 /nfs/dbraw/zinc/22/01/09/587220109.db2.gz ABQIOKBVKKERGL-UHFFFAOYSA-N 0 1 236.363 2.227 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000823446629 587222519 /nfs/dbraw/zinc/22/25/19/587222519.db2.gz KXTSRKTXUCYYOG-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CCn1nc(C)c(CN2CCCCC[C@H]2C)n1 ZINC000823448015 587222948 /nfs/dbraw/zinc/22/29/48/587222948.db2.gz RBSYYCJMRZRZFX-LLVKDONJSA-N 0 1 236.363 2.371 20 0 BEADMN CCn1nc(C)c(CN2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000823458895 587223251 /nfs/dbraw/zinc/22/32/51/587223251.db2.gz JKVVONAJXJNPPO-MNOVXSKESA-N 0 1 236.363 2.084 20 0 BEADMN C=COc1ccc(NC(=O)[C@@H](C)N(C)C)cc1 ZINC000823510050 587228384 /nfs/dbraw/zinc/22/83/84/587228384.db2.gz QAEJKTBWTZFTBU-SNVBAGLBSA-N 0 1 234.299 2.098 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824038677 587250835 /nfs/dbraw/zinc/25/08/35/587250835.db2.gz IVBRIRNKIAAUBO-NSHDSACASA-N 0 1 226.320 2.027 20 0 BEADMN CCn1nc(C)c(CN(CC2CC2)C2CCC2)n1 ZINC000824326348 587266477 /nfs/dbraw/zinc/26/64/77/587266477.db2.gz CNLAXAWQMUFFCZ-UHFFFAOYSA-N 0 1 248.374 2.371 20 0 BEADMN CC[C@H](CNCc1ccnc(Cl)c1F)OC ZINC000824417207 587269837 /nfs/dbraw/zinc/26/98/37/587269837.db2.gz RPBYNCZFSPGRCQ-SECBINFHSA-N 0 1 246.713 2.389 20 0 BEADMN COC[C@]1(C)CCN(Cc2ccc(F)nc2)C1 ZINC000824583480 587277956 /nfs/dbraw/zinc/27/79/56/587277956.db2.gz MPHFGOHADBCPPL-CYBMUJFWSA-N 0 1 238.306 2.079 20 0 BEADMN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000824629273 587280404 /nfs/dbraw/zinc/28/04/04/587280404.db2.gz RMLOMYPFOFBNKU-PRULPYPASA-N 0 1 247.342 2.050 20 0 BEADMN Fc1ccc(CN2CC[C@H]2C2CC2)cn1 ZINC000824650679 587280806 /nfs/dbraw/zinc/28/08/06/587280806.db2.gz OUDOIMIAGZMDDA-NSHDSACASA-N 0 1 206.264 2.205 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@@H]1CCC=CO1 ZINC000825005497 587298235 /nfs/dbraw/zinc/29/82/35/587298235.db2.gz MUHRZLSVDCLHQL-RYUDHWBXSA-N 0 1 235.331 2.246 20 0 BEADMN CCn1ccnc1[C@H](C)NC[C@H]1CCC=CO1 ZINC000825005496 587298387 /nfs/dbraw/zinc/29/83/87/587298387.db2.gz MUHRZLSVDCLHQL-NWDGAFQWSA-N 0 1 235.331 2.246 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1)C1(C)CC1 ZINC000825056535 587300668 /nfs/dbraw/zinc/30/06/68/587300668.db2.gz QIZFVTLEJYTJMO-WDEREUQCSA-N 0 1 240.347 2.107 20 0 BEADMN CCc1nc(CN[C@@H](C)C[C@@H]2CCOC2)co1 ZINC000825055839 587300777 /nfs/dbraw/zinc/30/07/77/587300777.db2.gz BJKPOSACMBOFHT-QWRGUYRKSA-N 0 1 238.331 2.142 20 0 BEADMN CCc1nc(CN[C@H]2CCO[C@H](CC)C2)co1 ZINC000825061687 587301576 /nfs/dbraw/zinc/30/15/76/587301576.db2.gz IVJSPOMMAACXTR-CMPLNLGQSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(CN[C@H]2CCO[C@@H](CC)C2)co1 ZINC000825061689 587301904 /nfs/dbraw/zinc/30/19/04/587301904.db2.gz IVJSPOMMAACXTR-JQWIXIFHSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000825266271 587311994 /nfs/dbraw/zinc/31/19/94/587311994.db2.gz VAWWOUNTOYLUDJ-ZYHUDNBSSA-N 0 1 240.347 2.155 20 0 BEADMN Cn1ncc(CN2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000825321788 587314655 /nfs/dbraw/zinc/31/46/55/587314655.db2.gz NYSDFHHIFSMYBM-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@H](c2ccco2)C1)C(=O)[O-] ZINC000825736190 587335602 /nfs/dbraw/zinc/33/56/02/587335602.db2.gz WDGQJJDZAAGCTC-FGUAACIASA-N 0 1 235.283 2.100 20 0 BEADMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCNC(=O)[O-] ZINC000825778421 587338762 /nfs/dbraw/zinc/33/87/62/587338762.db2.gz MYDVSMWBTOUQLO-AAEUAGOBSA-N 0 1 248.326 2.132 20 0 BEADMN C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000825865289 587342669 /nfs/dbraw/zinc/34/26/69/587342669.db2.gz HUJVYIPFIYHVAP-UTUOFQBUSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCCN(C(=O)[O-])C1 ZINC000825871780 587343171 /nfs/dbraw/zinc/34/31/71/587343171.db2.gz HKQZOBGXXJMWIV-TUAOUCFPSA-N 0 1 240.347 2.249 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)[C@H]1C ZINC000825944010 587346924 /nfs/dbraw/zinc/34/69/24/587346924.db2.gz JITSNZHGVBFEFY-GRYCIOLGSA-N 0 1 240.347 2.107 20 0 BEADMN FCC(CF)N[C@H]1CCCSCC1 ZINC000826029721 587348809 /nfs/dbraw/zinc/34/88/09/587348809.db2.gz JXEYGEAADXBJMY-QMMMGPOBSA-N 0 1 209.305 2.169 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C(C)(C)C1 ZINC000826048442 587349231 /nfs/dbraw/zinc/34/92/31/587349231.db2.gz IERHHIFTCVSLCC-MNOVXSKESA-N 0 1 240.347 2.107 20 0 BEADMN COc1cncc(CN2CC[C@H]2C2CC2)c1 ZINC000826043686 587349265 /nfs/dbraw/zinc/34/92/65/587349265.db2.gz OISVJMNVBOKSNM-ZDUSSCGKSA-N 0 1 218.300 2.075 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C(C)(C)C1 ZINC000826048446 587349563 /nfs/dbraw/zinc/34/95/63/587349563.db2.gz IERHHIFTCVSLCC-WDEREUQCSA-N 0 1 240.347 2.107 20 0 BEADMN CCC[C@H](C)[C@@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000826727420 587360247 /nfs/dbraw/zinc/36/02/47/587360247.db2.gz DWZGECFVXCMHTK-QWRGUYRKSA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[O-] ZINC000826748160 587360911 /nfs/dbraw/zinc/36/09/11/587360911.db2.gz XGNOGHJXNCUEQL-AWEZNQCLSA-N 0 1 233.311 2.326 20 0 BEADMN CCCC[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000826830820 587363601 /nfs/dbraw/zinc/36/36/01/587363601.db2.gz UDTBOQBIJSMUER-UHFFFAOYSA-N 0 1 216.325 2.012 20 0 BEADMN CCC[N@@H+](CC1CC1)C1CCN(C(=O)[O-])CC1 ZINC000826907108 587365226 /nfs/dbraw/zinc/36/52/26/587365226.db2.gz KRAIKCCTMOBBTA-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN CCC[N@@H+](CCC1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826912415 587365330 /nfs/dbraw/zinc/36/53/30/587365330.db2.gz ZNBKRBPRTMOLMB-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN COC(=O)c1cc(CN[C@H]2C=CCC2)c(C)o1 ZINC000826940567 587366285 /nfs/dbraw/zinc/36/62/85/587366285.db2.gz DHOUSKQGXPGYOT-NSHDSACASA-N 0 1 235.283 2.183 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cc(F)ncc2F)C1 ZINC000827005745 587367875 /nfs/dbraw/zinc/36/78/75/587367875.db2.gz JUIOXZJJSIUYFA-MGCOHNPYSA-N 0 1 242.269 2.017 20 0 BEADMN CCN1CCCC[C@@H]1CNC(=O)C(F)(F)CC ZINC000827210714 587372702 /nfs/dbraw/zinc/37/27/02/587372702.db2.gz QSDDOHYRZCSRRV-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN FCC[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000827271155 587374584 /nfs/dbraw/zinc/37/45/84/587374584.db2.gz KGUVCZXLCCEZDP-LLVKDONJSA-N 0 1 223.295 2.048 20 0 BEADMN FCC[C@H]1CCCN(Cc2cncnc2)C1 ZINC000827271155 587374585 /nfs/dbraw/zinc/37/45/85/587374585.db2.gz KGUVCZXLCCEZDP-LLVKDONJSA-N 0 1 223.295 2.048 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1cc(Cl)cs1)CC2 ZINC000827289924 587375544 /nfs/dbraw/zinc/37/55/44/587375544.db2.gz DYANKMJTOGDADG-GZMMTYOYSA-N 0 1 243.759 2.358 20 0 BEADMN CCc1ccc(CN(C)CC[S@](C)=O)cc1 ZINC000827355165 587378454 /nfs/dbraw/zinc/37/84/54/587378454.db2.gz WAVOLGGEDOKCRD-INIZCTEOSA-N 0 1 239.384 2.059 20 0 BEADMN CC(C)N(CC[S@](C)=O)Cc1cccs1 ZINC000827486663 587382652 /nfs/dbraw/zinc/38/26/52/587382652.db2.gz MQYKIXGKIOQROR-HNNXBMFYSA-N 0 1 245.413 2.337 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827499935 587383871 /nfs/dbraw/zinc/38/38/71/587383871.db2.gz QOBWXCOTQSLZJY-BWODNOAJSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000827507041 587384717 /nfs/dbraw/zinc/38/47/17/587384717.db2.gz RTVRAAJWHUTZLW-GUBZILKMSA-N 0 1 238.356 2.038 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCC(=O)CC(C)C ZINC000827788807 587402827 /nfs/dbraw/zinc/40/28/27/587402827.db2.gz XJZVBMOGZFCKMH-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)CC(=O)CCN1C[C@@H](C)OC(C)(C)C1 ZINC000827808529 587403444 /nfs/dbraw/zinc/40/34/44/587403444.db2.gz JMYYEEIFLJUKSE-GFCCVEGCSA-N 0 1 241.375 2.491 20 0 BEADMN CCc1nc([C@@H](C)NC(=O)C(C)=C2CCC2)n[nH]1 ZINC000828032431 587416951 /nfs/dbraw/zinc/41/69/51/587416951.db2.gz VEPQVALAXARRCJ-SECBINFHSA-N 0 1 248.330 2.045 20 0 BEADMN CC/C(C)=C\C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000828094963 587419127 /nfs/dbraw/zinc/41/91/27/587419127.db2.gz FSDTZYCBBCHPMT-ZBNJQPBLSA-N 0 1 238.375 2.284 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000828272399 587430097 /nfs/dbraw/zinc/43/00/97/587430097.db2.gz BATOKSQXQAICGS-UHFFFAOYSA-N 0 1 242.363 2.497 20 0 BEADMN CC(C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)=C1CCC1 ZINC000828338180 587436771 /nfs/dbraw/zinc/43/67/71/587436771.db2.gz JIEGLEWUEDGNQJ-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCOc2ccccc2[C@H]1C ZINC000828603065 587452657 /nfs/dbraw/zinc/45/26/57/587452657.db2.gz AUHLMFLDCXXGOI-PWSUYJOCSA-N 0 1 249.310 2.305 20 0 BEADMN C[C@H]1CN(C)C(=O)CN1CCC1=CCCCC1 ZINC000829108189 587482925 /nfs/dbraw/zinc/48/29/25/587482925.db2.gz VCJAQYTXFZYNSW-LBPRGKRZSA-N 0 1 236.359 2.039 20 0 BEADMN CCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829099532 587483095 /nfs/dbraw/zinc/48/30/95/587483095.db2.gz LKAQOBFAJOUEAU-UHFFFAOYSA-N 0 1 247.342 2.364 20 0 BEADMN CC(C)=CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829111256 587483350 /nfs/dbraw/zinc/48/33/50/587483350.db2.gz ODVVGIUANFCTIF-UHFFFAOYSA-N 0 1 245.326 2.140 20 0 BEADMN FC1(F)CCN(CCc2cscn2)CC1 ZINC000829367593 587494241 /nfs/dbraw/zinc/49/42/41/587494241.db2.gz SNWVCEJFYADFOC-UHFFFAOYSA-N 0 1 232.299 2.417 20 0 BEADMN CC1=C(Br)CN(CC[C@H](C)O)CC1 ZINC000829397661 587495840 /nfs/dbraw/zinc/49/58/40/587495840.db2.gz OIUSEPVLAHBGPK-VIFPVBQESA-N 0 1 248.164 2.132 20 0 BEADMN C/C(=C\Cl)CSCc1c[nH]nn1 ZINC000829542035 587502729 /nfs/dbraw/zinc/50/27/29/587502729.db2.gz FFFIKCGVHFJYLS-QHHAFSJGSA-N 0 1 203.698 2.181 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)n1 ZINC000829701563 587510206 /nfs/dbraw/zinc/51/02/06/587510206.db2.gz GLWMASUJLKDDRD-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CN1CC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC000830134627 587537999 /nfs/dbraw/zinc/53/79/99/587537999.db2.gz FZPXZPXUWJAICG-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CCSCC[C@@H](C)[N@@H+](C)C/C=C(\C)C(=O)[O-] ZINC000830163629 587539727 /nfs/dbraw/zinc/53/97/27/587539727.db2.gz BGARRJZKSFHBQX-CDCCAWJDSA-N 0 1 245.388 2.481 20 0 BEADMN C[C@]1(F)CCCN(CCC(=O)C2CC2)C1 ZINC000830211776 587541235 /nfs/dbraw/zinc/54/12/35/587541235.db2.gz CASWEXKKZILBOM-LBPRGKRZSA-N 0 1 213.296 2.180 20 0 BEADMN Cn1cnc(CNC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000830549261 587557659 /nfs/dbraw/zinc/55/76/59/587557659.db2.gz KTUQACFYRYPSRW-SECBINFHSA-N 0 1 248.157 2.094 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000830787765 587570292 /nfs/dbraw/zinc/57/02/92/587570292.db2.gz IORKLISRBVYWBS-FUOZMLNRSA-N 0 1 249.314 2.464 20 0 BEADMN CCON(CC)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000831486888 587613416 /nfs/dbraw/zinc/61/34/16/587613416.db2.gz BRZJKINLRGCSEW-UHFFFAOYSA-N 0 1 239.319 2.121 20 0 BEADMN CCN1CCN(C(=O)OC2CCCC2)[C@@H](C)C1 ZINC000831495006 587614317 /nfs/dbraw/zinc/61/43/17/587614317.db2.gz JRRSYUHXTXBJFB-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN O=C([O-])NCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000832636549 587671798 /nfs/dbraw/zinc/67/17/98/587671798.db2.gz SZXDGYVFDNGLOG-UHFFFAOYSA-N 0 1 240.347 2.299 20 0 BEADMN Cc1ccc(CN(C)CC[S@@](C)=O)cc1C ZINC000832640276 587672475 /nfs/dbraw/zinc/67/24/75/587672475.db2.gz QMADCVRPVBNGJT-MRXNPFEDSA-N 0 1 239.384 2.114 20 0 BEADMN CCc1nc(SCc2cscn2)n[nH]1 ZINC000832845935 587693664 /nfs/dbraw/zinc/69/36/64/587693664.db2.gz WEQIRWVPDQXSBZ-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1n[nH]c(SCc2cscn2)n1 ZINC000832845935 587693665 /nfs/dbraw/zinc/69/36/65/587693665.db2.gz WEQIRWVPDQXSBZ-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN Cc1ccc[nH+]c1NCc1c[nH]c(C(=O)[O-])c1 ZINC000832983276 587696523 /nfs/dbraw/zinc/69/65/23/587696523.db2.gz AKYUUTUKZYBIBG-UHFFFAOYSA-N 0 1 231.255 2.028 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000833174175 587701033 /nfs/dbraw/zinc/70/10/33/587701033.db2.gz CBVJHYBLPRPRHM-ZBKLQPJUSA-N 0 1 249.285 2.198 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000833174173 587701166 /nfs/dbraw/zinc/70/11/66/587701166.db2.gz CBVJHYBLPRPRHM-GBXSZLQWSA-N 0 1 249.285 2.198 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CC2CCCCC2)C1 ZINC000833176321 587701558 /nfs/dbraw/zinc/70/15/58/587701558.db2.gz XGZOVXQEKCZPIW-GFCCVEGCSA-N 0 1 229.295 2.065 20 0 BEADMN C/C(=C\C[N@H+]1CCc2cc(F)ccc2C1)C(=O)[O-] ZINC000833383780 587712340 /nfs/dbraw/zinc/71/23/40/587712340.db2.gz PPCVQGIIASGSDD-ONNFQVAWSA-N 0 1 249.285 2.215 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833469017 587716102 /nfs/dbraw/zinc/71/61/02/587716102.db2.gz PDTRLLUXEQOMIB-VIFPVBQESA-N 0 1 224.304 2.189 20 0 BEADMN C[C@H](C[N@@H+](Cc1cccc(O)c1)C1CC1)C(=O)[O-] ZINC000833516546 587718148 /nfs/dbraw/zinc/71/81/48/587718148.db2.gz OXRDTOQJMYBBFH-SNVBAGLBSA-N 0 1 249.310 2.077 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833560247 587720292 /nfs/dbraw/zinc/72/02/92/587720292.db2.gz JPPMXNSVRFOSFC-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCCC[C@H]2C)O1 ZINC000833582802 587721515 /nfs/dbraw/zinc/72/15/15/587721515.db2.gz FKHQWGDGDOQKHG-MWLCHTKSSA-N 0 1 239.315 2.008 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)CC(C)(C)C)O1 ZINC000833579222 587722056 /nfs/dbraw/zinc/72/20/56/587722056.db2.gz YZGCKUFQWAJIKS-SNVBAGLBSA-N 0 1 241.331 2.112 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])C2CC2)CC(C)(C)C1 ZINC000833625889 587725197 /nfs/dbraw/zinc/72/51/97/587725197.db2.gz VIHVQNMLQIRHID-GXSJLCMTSA-N 0 1 225.332 2.218 20 0 BEADMN C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000833691862 587728503 /nfs/dbraw/zinc/72/85/03/587728503.db2.gz RPWZWOIZFONBFH-UHFFFAOYSA-N 0 1 245.278 2.463 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000833691862 587728505 /nfs/dbraw/zinc/72/85/05/587728505.db2.gz RPWZWOIZFONBFH-UHFFFAOYSA-N 0 1 245.278 2.463 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@@H]1CCc2ccccc21 ZINC000833772485 587730919 /nfs/dbraw/zinc/73/09/19/587730919.db2.gz YWFBLVPCAKGAGQ-GXTWGEPZSA-N 0 1 245.322 2.265 20 0 BEADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000833829078 587734883 /nfs/dbraw/zinc/73/48/83/587734883.db2.gz FIYATZSXMCCUBG-CMPLNLGQSA-N 0 1 240.347 2.155 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833843477 587735566 /nfs/dbraw/zinc/73/55/66/587735566.db2.gz ATFZYHFGUYKDDL-AAEUAGOBSA-N 0 1 240.347 2.251 20 0 BEADMN CCCCC[N@H+]1CC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000833852284 587735805 /nfs/dbraw/zinc/73/58/05/587735805.db2.gz BFNGYABIVPNSBV-MNOVXSKESA-N 0 1 228.336 2.155 20 0 BEADMN CCCCC[N@H+]1C[C@H](CNC(=O)[O-])C[C@@H]1C ZINC000833853631 587735897 /nfs/dbraw/zinc/73/58/97/587735897.db2.gz QYEZWLGOZZSSMA-QWRGUYRKSA-N 0 1 228.336 2.155 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@H](C)C1CC1 ZINC000834469412 587755851 /nfs/dbraw/zinc/75/58/51/587755851.db2.gz AJONYOIEGSZXHU-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN c1cn2c(n1)[C@H](NCCNc1ccccc1)CC2 ZINC000834617506 587761035 /nfs/dbraw/zinc/76/10/35/587761035.db2.gz ZOJVBZOFJKSPDW-CYBMUJFWSA-N 0 1 242.326 2.030 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000835224099 587790349 /nfs/dbraw/zinc/79/03/49/587790349.db2.gz VIMJAVRLYOSGKD-JTQLQIEISA-N 0 1 239.319 2.229 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836948582 587843683 /nfs/dbraw/zinc/84/36/83/587843683.db2.gz RTTJUMTVFXQHMW-FSBNRTBOSA-N 0 1 238.375 2.285 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837006080 587847247 /nfs/dbraw/zinc/84/72/47/587847247.db2.gz ZMLJABRVIOUTPP-CHDKLRHSSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](C)CONC(=O)C1(COC)CCCC1 ZINC000837667348 587889558 /nfs/dbraw/zinc/88/95/58/587889558.db2.gz VOSIIIVJUIPVGV-NSHDSACASA-N 0 1 243.347 2.287 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC000840581197 587912844 /nfs/dbraw/zinc/91/28/44/587912844.db2.gz BOAKPZCSGPTWPH-JGVFFNPUSA-N 0 1 237.303 2.154 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC000840581198 587912913 /nfs/dbraw/zinc/91/29/13/587912913.db2.gz BOAKPZCSGPTWPH-SFYZADRCSA-N 0 1 237.303 2.154 20 0 BEADMN CCn1ccnc1NCc1ccc(F)nc1 ZINC000840887172 587928119 /nfs/dbraw/zinc/92/81/19/587928119.db2.gz GBVMZBWOIRRBQF-UHFFFAOYSA-N 0 1 220.251 2.049 20 0 BEADMN C1=CO[C@@H](C[N@H+]2CCO[C@@H](C3CCC3)C2)CC1 ZINC000840953934 587931810 /nfs/dbraw/zinc/93/18/10/587931810.db2.gz DBEVGHCERJEXJF-ZIAGYGMSSA-N 0 1 237.343 2.180 20 0 BEADMN C1=CO[C@@H](CN2CCO[C@@H](C3CCC3)C2)CC1 ZINC000840953934 587931811 /nfs/dbraw/zinc/93/18/11/587931811.db2.gz DBEVGHCERJEXJF-ZIAGYGMSSA-N 0 1 237.343 2.180 20 0 BEADMN O=c1cc(Cc2ccccc2)[nH]n1CC1CC1 ZINC000841486547 587956469 /nfs/dbraw/zinc/95/64/69/587956469.db2.gz AMMPXIOCNJIPMK-UHFFFAOYSA-N 0 1 228.295 2.227 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cn2cc(Cl)cn2)[C@H]1C ZINC000841687806 587971977 /nfs/dbraw/zinc/97/19/77/587971977.db2.gz AKURARHNPGLGRQ-BBBLOLIVSA-N 0 1 227.739 2.470 20 0 BEADMN CCC(N)=NOCc1nnc(C(C)C)s1 ZINC000842025572 587989828 /nfs/dbraw/zinc/98/98/28/587989828.db2.gz XTQAYWORIDBPLD-UHFFFAOYSA-N 0 1 228.321 2.070 20 0 BEADMN CO[C@H](CON=C(N)C(C)C)CC(C)C ZINC000842038650 587992225 /nfs/dbraw/zinc/99/22/25/587992225.db2.gz GMGLMLYCHJECRA-JTQLQIEISA-N 0 1 216.325 2.202 20 0 BEADMN Cc1noc([C@@H](C)NCCCC(C)(F)F)n1 ZINC000842147872 588003610 /nfs/dbraw/zinc/00/36/10/588003610.db2.gz MZAFKECWDYSRKD-SSDOTTSWSA-N 0 1 233.262 2.464 20 0 BEADMN Cc1ncccc1OC[C@H]1CCCN1CCF ZINC000842173953 588006247 /nfs/dbraw/zinc/00/62/47/588006247.db2.gz ZPIMFOGKWKJVRI-GFCCVEGCSA-N 0 1 238.306 2.203 20 0 BEADMN CCCN[C@H](C)c1nc(-c2cccc(N)c2)no1 ZINC000842622787 588046089 /nfs/dbraw/zinc/04/60/89/588046089.db2.gz CLNLCOMTJHDEPB-SECBINFHSA-N 0 1 246.314 2.379 20 0 BEADMN C/C=C(\C)COC(=O)CCCCc1cn[nH]n1 ZINC000842843129 588067562 /nfs/dbraw/zinc/06/75/62/588067562.db2.gz BTAVHWAJQGOAKK-XCVCLJGOSA-N 0 1 237.303 2.027 20 0 BEADMN CCCc1cc(-c2nc([C@@H](N)C(C)C)no2)n[nH]1 ZINC000843148264 588087139 /nfs/dbraw/zinc/08/71/39/588087139.db2.gz OIHMVYJPGAMYGB-JTQLQIEISA-N 0 1 249.318 2.068 20 0 BEADMN CNCc1nc(-c2occc2C(C)C)no1 ZINC000843237654 588094948 /nfs/dbraw/zinc/09/49/48/588094948.db2.gz YUEHEMAVRICLPG-UHFFFAOYSA-N 0 1 221.260 2.172 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccnc(Cl)c2F)CO1 ZINC000843431664 588109205 /nfs/dbraw/zinc/10/92/05/588109205.db2.gz BEQPJHULPRVJDH-APPZFPTMSA-N 0 1 244.697 2.141 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C3(F)CC3)ccc12 ZINC000843844981 588144206 /nfs/dbraw/zinc/14/42/06/588144206.db2.gz CEKBQQQNNUVCIR-UHFFFAOYSA-N 0 1 233.246 2.312 20 0 BEADMN C/C=C/C=C\C(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC000843992416 588153795 /nfs/dbraw/zinc/15/37/95/588153795.db2.gz DSMWLAOCNGWGSZ-DTIHGJCLSA-N 0 1 236.359 2.061 20 0 BEADMN CCCONC(=O)[C@@H]1CCOc2ccccc21 ZINC000844084183 588162703 /nfs/dbraw/zinc/16/27/03/588162703.db2.gz FGWTZJOMSGDGFR-LLVKDONJSA-N 0 1 235.283 2.011 20 0 BEADMN CC[C@H]1COC(C)(C)CN1CCC(=O)C(C)C ZINC000844388058 588189126 /nfs/dbraw/zinc/18/91/26/588189126.db2.gz VPZVFCJHGBMQLS-LBPRGKRZSA-N 0 1 241.375 2.491 20 0 BEADMN C[C@H](c1ccccn1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451860 588195430 /nfs/dbraw/zinc/19/54/30/588195430.db2.gz AGXMYKNLSBCFRB-BBBLOLIVSA-N 0 1 224.254 2.340 20 0 BEADMN Cc1noc(C)c1CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455412 588196186 /nfs/dbraw/zinc/19/61/86/588196186.db2.gz AXZIIQGYDOWUHF-PHIMTYICSA-N 0 1 242.269 2.031 20 0 BEADMN C/C=C(/CC)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844643217 588212368 /nfs/dbraw/zinc/21/23/68/588212368.db2.gz PKOZIAFUVLPPDE-WJLHMYEWSA-N 0 1 238.375 2.282 20 0 BEADMN CC1=C[C@@H](C)CN(CN2C(=O)CC23CCCC3)C1 ZINC000844703334 588214139 /nfs/dbraw/zinc/21/41/39/588214139.db2.gz CVMHKTMIPCFTJP-GFCCVEGCSA-N 0 1 248.370 2.387 20 0 BEADMN C[C@@H](c1noc(CC(F)(F)CN)n1)C(C)(C)C ZINC000844910239 588219109 /nfs/dbraw/zinc/21/91/09/588219109.db2.gz MQCFGYYKBOYEAH-ZETCQYMHSA-N 0 1 247.289 2.356 20 0 BEADMN CSCCC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845736914 588242988 /nfs/dbraw/zinc/24/29/88/588242988.db2.gz DTJSISNNORNBCU-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCc2c(F)cccc2C1 ZINC000846247221 588262587 /nfs/dbraw/zinc/26/25/87/588262587.db2.gz WSBXRXMKKFPXAY-CYBMUJFWSA-N 0 1 249.285 2.047 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2c(F)cccc2C1 ZINC000846246816 588262653 /nfs/dbraw/zinc/26/26/53/588262653.db2.gz SXZYTUJXEQMRBU-GFCCVEGCSA-N 0 1 237.274 2.047 20 0 BEADMN CC(C)C[N@H+](C/C=C/Cl)CCC(=O)[O-] ZINC000846265059 588263278 /nfs/dbraw/zinc/26/32/78/588263278.db2.gz GQXQGANLFBIOOP-HWKANZROSA-N 0 1 219.712 2.172 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CCC12CCCC2 ZINC000846303482 588264252 /nfs/dbraw/zinc/26/42/52/588264252.db2.gz AIXITMLGXCFSEZ-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN CN(Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000846775008 588287376 /nfs/dbraw/zinc/28/73/76/588287376.db2.gz UWMDVJBVYYJVIE-UHFFFAOYSA-N 0 1 214.671 2.468 20 0 BEADMN CCCN(CCO)Cc1cnc(Cl)c(F)c1 ZINC000846773940 588287379 /nfs/dbraw/zinc/28/73/79/588287379.db2.gz LHFVKUKUFXDXSP-UHFFFAOYSA-N 0 1 246.713 2.078 20 0 BEADMN CN(C[C@@H]1CCCO1)CC1(Br)CC1 ZINC000846775404 588287816 /nfs/dbraw/zinc/28/78/16/588287816.db2.gz LYQFCHLNJFRUFN-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN Cc1nsc(C)c1CN1CCOCC[C@H]1C ZINC000846846913 588293026 /nfs/dbraw/zinc/29/30/26/588293026.db2.gz KASPNAAGOOUPTI-SECBINFHSA-N 0 1 240.372 2.371 20 0 BEADMN CCN(Cc1cnc(Cl)c(F)c1)[C@H](C)CO ZINC000846917581 588296663 /nfs/dbraw/zinc/29/66/63/588296663.db2.gz HRKQTRJDCWXXOH-MRVPVSSYSA-N 0 1 246.713 2.077 20 0 BEADMN CC[C@H](CO)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846928857 588297223 /nfs/dbraw/zinc/29/72/23/588297223.db2.gz FQQLCUNITXEUSK-SECBINFHSA-N 0 1 246.713 2.077 20 0 BEADMN CCN(Cc1cnc(Cl)c(F)c1)[C@@H](C)CO ZINC000846925329 588297332 /nfs/dbraw/zinc/29/73/32/588297332.db2.gz HRKQTRJDCWXXOH-QMMMGPOBSA-N 0 1 246.713 2.077 20 0 BEADMN CC(=O)C1CCN([C@H](C)c2cccnc2)CC1 ZINC000846954822 588298367 /nfs/dbraw/zinc/29/83/67/588298367.db2.gz WTWDFQSRCUBOHD-LLVKDONJSA-N 0 1 232.327 2.444 20 0 BEADMN CON1CCN(CC/C=C/c2ccccc2)CC1 ZINC000846975208 588299553 /nfs/dbraw/zinc/29/95/53/588299553.db2.gz MCTVIRNSTLSLGX-WEVVVXLNSA-N 0 1 246.354 2.269 20 0 BEADMN C[C@@H](C(=O)OCc1cc(C2CC2)[nH]n1)C1CC1 ZINC000848012525 588347445 /nfs/dbraw/zinc/34/74/45/588347445.db2.gz BRPMIPYJOFTLQL-MRVPVSSYSA-N 0 1 234.299 2.376 20 0 BEADMN CC[C@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015328 588348035 /nfs/dbraw/zinc/34/80/35/588348035.db2.gz YQFUTXUIPDWXQK-QMMMGPOBSA-N 0 1 222.288 2.376 20 0 BEADMN CCC(N)=NOCCc1noc2ccccc12 ZINC000848509188 588388242 /nfs/dbraw/zinc/38/82/42/588388242.db2.gz LLVXAUSQBBPRQT-UHFFFAOYSA-N 0 1 233.271 2.279 20 0 BEADMN CCNC(=O)CNCc1ccccc1C(C)C ZINC000848526108 588392853 /nfs/dbraw/zinc/39/28/53/588392853.db2.gz VWZQXBTXSJABMS-UHFFFAOYSA-N 0 1 234.343 2.036 20 0 BEADMN c1c(CNC[C@@H]2CCC=CO2)nn2c1CCCC2 ZINC000848549745 588395961 /nfs/dbraw/zinc/39/59/61/588395961.db2.gz SQVYJTZILJOLSH-AWEZNQCLSA-N 0 1 247.342 2.002 20 0 BEADMN C[C@@H]1C[C@H](NCc2noc3ccccc32)CO1 ZINC000848576090 588398774 /nfs/dbraw/zinc/39/87/74/588398774.db2.gz ZKVOWIDGLOIQLQ-ZJUUUORDSA-N 0 1 232.283 2.095 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000848621987 588402091 /nfs/dbraw/zinc/40/20/91/588402091.db2.gz QHVMFCBPIQYOBP-SECBINFHSA-N 0 1 247.298 2.334 20 0 BEADMN CC[C@H]1CCN(Cc2cnc(Cl)n2C)C1 ZINC000848889913 588417699 /nfs/dbraw/zinc/41/76/99/588417699.db2.gz NOFHJDSXWKGUPC-VIFPVBQESA-N 0 1 227.739 2.305 20 0 BEADMN Cc1occc1C(=O)OCCN1CCCCC1 ZINC000849185236 588460280 /nfs/dbraw/zinc/46/02/80/588460280.db2.gz DFDGVSMOPOAZSF-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN CCc1ccc(C)nc1NCc1cncnc1 ZINC000849348049 588474351 /nfs/dbraw/zinc/47/43/51/588474351.db2.gz ZEQPPGWLSMPVRY-UHFFFAOYSA-N 0 1 228.299 2.355 20 0 BEADMN CC/C=C(\C)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849652184 588484381 /nfs/dbraw/zinc/48/43/81/588484381.db2.gz XMOYYHXGUOKOMT-FLOXNTQESA-N 0 1 237.303 2.328 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C(C)=C(C)C)n[nH]1 ZINC000849738685 588492042 /nfs/dbraw/zinc/49/20/42/588492042.db2.gz BCHSUSOXNXONEU-VIFPVBQESA-N 0 1 237.303 2.328 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C=C2CCC2)n[nH]1 ZINC000849741259 588492287 /nfs/dbraw/zinc/49/22/87/588492287.db2.gz JJRNBGTZWQAAAA-QMMMGPOBSA-N 0 1 235.287 2.082 20 0 BEADMN CC(C)[C@H](C)OC(=O)C(C)(C)N1CCCC1 ZINC000849777125 588497115 /nfs/dbraw/zinc/49/71/15/588497115.db2.gz VLCDNWFQFNIJOY-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CC/C(C)=C\C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849794921 588500048 /nfs/dbraw/zinc/50/00/48/588500048.db2.gz RKZQRNASTCWLLN-UFGYOYAJSA-N 0 1 237.303 2.328 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C(C)=C2CCC2)n[nH]1 ZINC000849799912 588500708 /nfs/dbraw/zinc/50/07/08/588500708.db2.gz SXAAUURFIHTDGV-SECBINFHSA-N 0 1 249.314 2.472 20 0 BEADMN Fc1cccn2cc(CN[C@H]3C=CCC3)nc12 ZINC000850358499 588539168 /nfs/dbraw/zinc/53/91/68/588539168.db2.gz DWVSLFCVPOXJCP-JTQLQIEISA-N 0 1 231.274 2.282 20 0 BEADMN Cn1cccc1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850371763 588540875 /nfs/dbraw/zinc/54/08/75/588540875.db2.gz LQFNGWJWSIDFOG-GJZGRUSLSA-N 0 1 242.322 2.293 20 0 BEADMN O[C@H]1C[C@H](NCC2(F)CC2)c2ccccc21 ZINC000850373638 588541464 /nfs/dbraw/zinc/54/14/64/588541464.db2.gz IEGNEULFFKAXLO-RYUDHWBXSA-N 0 1 221.275 2.257 20 0 BEADMN CON(C)CCN[C@H](C)c1cc(F)ccc1F ZINC000850480259 588549284 /nfs/dbraw/zinc/54/92/84/588549284.db2.gz OEBGEKJWSOLYAJ-SECBINFHSA-N 0 1 244.285 2.109 20 0 BEADMN CC[C@H](COCC1CC1)N[C@H](C)c1ncc[nH]1 ZINC000850494390 588552270 /nfs/dbraw/zinc/55/22/70/588552270.db2.gz OMFJSCMRYZGKCS-ZYHUDNBSSA-N 0 1 237.347 2.266 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1C=CCC1 ZINC000850506190 588552794 /nfs/dbraw/zinc/55/27/94/588552794.db2.gz CHWIDRABYBCXFL-MNOVXSKESA-N 0 1 205.305 2.272 20 0 BEADMN CC[C@@H](N[C@H]1C=CCC1)c1nccn1C ZINC000850506458 588553461 /nfs/dbraw/zinc/55/34/61/588553461.db2.gz BIEKWGIYBOSEGV-WDEREUQCSA-N 0 1 205.305 2.179 20 0 BEADMN COC(=O)c1coc([C@@H](C)N[C@H]2C=CCC2)c1 ZINC000850509997 588554771 /nfs/dbraw/zinc/55/47/71/588554771.db2.gz QPIOFOVQZXACME-KOLCDFICSA-N 0 1 235.283 2.435 20 0 BEADMN C1=C[C@@H](N[C@H]2CCCn3ccnc32)CC1 ZINC000850509556 588554889 /nfs/dbraw/zinc/55/48/89/588554889.db2.gz RKRJYAMQWIJOHQ-MNOVXSKESA-N 0 1 203.289 2.026 20 0 BEADMN c1cn2c(n1)[C@@H](N[C@H]1COC3(CCC3)C1)CCC2 ZINC000850523315 588557108 /nfs/dbraw/zinc/55/71/08/588557108.db2.gz FWGQFYAFPXMRFR-NEPJUHHUSA-N 0 1 247.342 2.019 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ncc[nH]1 ZINC000850534872 588558261 /nfs/dbraw/zinc/55/82/61/588558261.db2.gz OVTRAXWDFZWOBD-GMTAPVOTSA-N 0 1 223.320 2.018 20 0 BEADMN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@]1(C)OC ZINC000850571696 588561284 /nfs/dbraw/zinc/56/12/84/588561284.db2.gz TZUIQYURPYPMKK-KDDOJWQBSA-N 0 1 238.331 2.373 20 0 BEADMN CCC(F)(F)COC(=O)[C@@H](C(C)C)N(C)C ZINC000851492608 588607985 /nfs/dbraw/zinc/60/79/85/588607985.db2.gz NGYWLQCGSJXSRH-SECBINFHSA-N 0 1 237.290 2.161 20 0 BEADMN CCCC[C@](C)(F)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000851632030 588612012 /nfs/dbraw/zinc/61/20/12/588612012.db2.gz JEJAPFYWKHIXBA-WZRBSPASSA-N 0 1 244.354 2.114 20 0 BEADMN CCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000851707604 588615246 /nfs/dbraw/zinc/61/52/46/588615246.db2.gz GWZPPSIBNUAIJA-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN C/C(=C/C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)C(=O)[O-] ZINC000851708832 588615401 /nfs/dbraw/zinc/61/54/01/588615401.db2.gz MSWHRRGUNILPJR-METCWNFDSA-N 0 1 247.338 2.161 20 0 BEADMN C[C@@H]1CCN(Cc2cnon2)[C@H]2CCCC[C@@H]12 ZINC000851726828 588618073 /nfs/dbraw/zinc/61/80/73/588618073.db2.gz XKOKMPVNXYUCML-WXHSDQCUSA-N 0 1 235.331 2.470 20 0 BEADMN C[C@H]1CCC[C@@H](N(C)Cc2cnon2)C1 ZINC000851727419 588618455 /nfs/dbraw/zinc/61/84/55/588618455.db2.gz MQQCKLJVUWZUBC-GXSJLCMTSA-N 0 1 209.293 2.080 20 0 BEADMN c1nonc1CN1CC[C@@H](c2ccccc2)C1 ZINC000851739297 588620786 /nfs/dbraw/zinc/62/07/86/588620786.db2.gz IFHDOGMXTGVMOM-GFCCVEGCSA-N 0 1 229.283 2.059 20 0 BEADMN CC(C)C[C@H]1CCCN1Cc1cnon1 ZINC000851742371 588621397 /nfs/dbraw/zinc/62/13/97/588621397.db2.gz SHYYXBSZCYNEOU-LLVKDONJSA-N 0 1 209.293 2.080 20 0 BEADMN CCN(Cc1ccoc1)C[C@H]1COC(C)(C)O1 ZINC000851745817 588621859 /nfs/dbraw/zinc/62/18/59/588621859.db2.gz DCJDLLRSPDDRQM-LBPRGKRZSA-N 0 1 239.315 2.253 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(Cc1cnon1)C1CC1 ZINC000851753121 588623798 /nfs/dbraw/zinc/62/37/98/588623798.db2.gz OENOGQXSQDRPSC-NXEZZACHSA-N 0 1 223.320 2.469 20 0 BEADMN FC(F)OCCN1CCC[C@H]1c1ccccn1 ZINC000851802553 588630613 /nfs/dbraw/zinc/63/06/13/588630613.db2.gz JDRZBEKRWMERBY-NSHDSACASA-N 0 1 242.269 2.458 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851807784 588631491 /nfs/dbraw/zinc/63/14/91/588631491.db2.gz IWDOQSNPNDHHKU-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN ClC(Cl)=CCN1CC[C@@]2(CCOC2)C1 ZINC000851806907 588631688 /nfs/dbraw/zinc/63/16/88/588631688.db2.gz BEICRRQTMVHEGJ-SNVBAGLBSA-N 0 1 236.142 2.418 20 0 BEADMN CC(C)N(Cc1cnon1)C1CCCC1 ZINC000851836795 588633926 /nfs/dbraw/zinc/63/39/26/588633926.db2.gz YLQCGENVEBULEC-UHFFFAOYSA-N 0 1 209.293 2.223 20 0 BEADMN Fc1cccc(CN2CCCSCC2)n1 ZINC000851872485 588637601 /nfs/dbraw/zinc/63/76/01/588637601.db2.gz DXTUETWWKOFJHQ-UHFFFAOYSA-N 0 1 226.320 2.160 20 0 BEADMN FC(F)OCCN1CCC[C@H]1c1ccncc1 ZINC000851872148 588637869 /nfs/dbraw/zinc/63/78/69/588637869.db2.gz ZVPBUSRSPXQYSV-NSHDSACASA-N 0 1 242.269 2.458 20 0 BEADMN C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C[C@@H]1F ZINC000851909378 588642533 /nfs/dbraw/zinc/64/25/33/588642533.db2.gz CZVPZUBSYMNDHX-WOPDTQHZSA-N 0 1 245.338 2.208 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cnon2)[C@@H]2CCCC[C@@H]21 ZINC000851919329 588643510 /nfs/dbraw/zinc/64/35/10/588643510.db2.gz IKDKQRDQUPQOQG-YUSALJHKSA-N 0 1 221.304 2.080 20 0 BEADMN CCS[C@H]1CCCC[C@H]1NCc1cnon1 ZINC000851950903 588647048 /nfs/dbraw/zinc/64/70/48/588647048.db2.gz ANROZFMSTSEUSL-MNOVXSKESA-N 0 1 241.360 2.224 20 0 BEADMN FC(F)OCCN1CCC[C@@H](OCC2CC2)C1 ZINC000851954565 588647343 /nfs/dbraw/zinc/64/73/43/588647343.db2.gz LTXWZYDJFPLHHI-LLVKDONJSA-N 0 1 249.301 2.117 20 0 BEADMN CC[C@]1(O)CCN(CC=C(Cl)Cl)C1 ZINC000851957718 588647821 /nfs/dbraw/zinc/64/78/21/588647821.db2.gz QURFHMZIVNTRMW-VIFPVBQESA-N 0 1 224.131 2.152 20 0 BEADMN CO[C@@H]1CN(Cc2cccc(F)n2)CC[C@@H]1C ZINC000851971740 588649462 /nfs/dbraw/zinc/64/94/62/588649462.db2.gz SLVKKTJJHUJQPR-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN FC1(F)C[C@@H]1OCCN1CCC(F)(F)CC1 ZINC000852002909 588654216 /nfs/dbraw/zinc/65/42/16/588654216.db2.gz XYMHPHZLTBPCTB-QMMMGPOBSA-N 0 1 241.228 2.142 20 0 BEADMN FC(F)[C@@H]1CN(CCC2CCC2)CCO1 ZINC000852016728 588655203 /nfs/dbraw/zinc/65/52/03/588655203.db2.gz JTCMKJJQBHQXHT-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN CC1(C)CN(CCOC(F)F)[C@@H]1[C@@H]1CCCO1 ZINC000852055740 588658103 /nfs/dbraw/zinc/65/81/03/588658103.db2.gz WKVAJKTXMQJVGS-VHSXEESVSA-N 0 1 249.301 2.115 20 0 BEADMN Cc1ccoc1CN(C)C[C@@H](O)c1ccccn1 ZINC000852076195 588659619 /nfs/dbraw/zinc/65/96/19/588659619.db2.gz GVSKLNIIHYJABE-CYBMUJFWSA-N 0 1 246.310 2.148 20 0 BEADMN FCCN1CCC[C@H](c2ccccn2)C1 ZINC000852083202 588660505 /nfs/dbraw/zinc/66/05/05/588660505.db2.gz AKXAUGALCXERPE-NSHDSACASA-N 0 1 208.280 2.231 20 0 BEADMN CCN(Cc1cccc(F)n1)[C@@H]1CCCOC1 ZINC000852211484 588672770 /nfs/dbraw/zinc/67/27/70/588672770.db2.gz LONDZERIFVITFK-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@@H](C)N(CC)Cc1nn(CC)nc1C ZINC000852291269 588676446 /nfs/dbraw/zinc/67/64/46/588676446.db2.gz SEGADGJSXDQXQV-SNVBAGLBSA-N 0 1 224.352 2.227 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000852559121 588690244 /nfs/dbraw/zinc/69/02/44/588690244.db2.gz OLDQIAVHYCVOIY-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1cccnc1Cl ZINC000852559121 588690245 /nfs/dbraw/zinc/69/02/45/588690245.db2.gz OLDQIAVHYCVOIY-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN CC(=O)CC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000852654358 588694021 /nfs/dbraw/zinc/69/40/21/588694021.db2.gz IOCSVMXAHOIPIN-HNNXBMFYSA-N 0 1 246.354 2.176 20 0 BEADMN Cn1ncc(C[N@H+]2CCCC[C@@H]2CC2CCC2)n1 ZINC000852711562 588697166 /nfs/dbraw/zinc/69/71/66/588697166.db2.gz GEQNIAWJROEZLX-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncc(CN2CCCC[C@@H]2CC2CCC2)n1 ZINC000852711562 588697167 /nfs/dbraw/zinc/69/71/67/588697167.db2.gz GEQNIAWJROEZLX-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN c1nonc1C[N@@H+](CCC1CC1)CC1CC1 ZINC000852716717 588697798 /nfs/dbraw/zinc/69/77/98/588697798.db2.gz QLOJWNBTLUHGBN-UHFFFAOYSA-N 0 1 221.304 2.082 20 0 BEADMN c1nonc1CN(CCC1CC1)CC1CC1 ZINC000852716717 588697799 /nfs/dbraw/zinc/69/77/99/588697799.db2.gz QLOJWNBTLUHGBN-UHFFFAOYSA-N 0 1 221.304 2.082 20 0 BEADMN CC[N@@H+](Cc1cccc(Cl)n1)[C@@H](C)C(=O)[O-] ZINC000852733974 588698367 /nfs/dbraw/zinc/69/83/67/588698367.db2.gz BYKUHIMBBBXPNB-QMMMGPOBSA-N 0 1 242.706 2.030 20 0 BEADMN CC[N@@H+](Cc1ccc2c(c1)COC2)[C@@H](C)C(=O)[O-] ZINC000852729251 588698578 /nfs/dbraw/zinc/69/85/78/588698578.db2.gz BSVSVJQNNNWIDK-JTQLQIEISA-N 0 1 249.310 2.012 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CC2CC1(C)C2 ZINC000852786031 588702154 /nfs/dbraw/zinc/70/21/54/588702154.db2.gz UJNYNSVLUVYJKR-UHFFFAOYSA-N 0 1 239.750 2.366 20 0 BEADMN Cc1cccc(C(=O)OCCN2CCC2)c1C ZINC000861384741 589162318 /nfs/dbraw/zinc/16/23/18/589162318.db2.gz WHHJKTNBTGFGSV-UHFFFAOYSA-N 0 1 233.311 2.166 20 0 BEADMN Cc1ccc(CCC(=O)OCCN2CCC2)cc1 ZINC000861386050 589162678 /nfs/dbraw/zinc/16/26/78/589162678.db2.gz JCZKCIVVEIQCER-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN C[C@@H]1CC[C@H](CC(=O)OCCN2CCC2)C1 ZINC000861388617 589162962 /nfs/dbraw/zinc/16/29/62/589162962.db2.gz VTENPVYZZQOFIX-NEPJUHHUSA-N 0 1 225.332 2.062 20 0 BEADMN C/C(=C/C(=O)OCCN1CCC1)C(C)(C)C ZINC000861388771 589162974 /nfs/dbraw/zinc/16/29/74/589162974.db2.gz XNBJZYDOYUDBKH-KHPPLWFESA-N 0 1 225.332 2.228 20 0 BEADMN O=C(OCCN1CCC1)C1CCC(F)(F)CC1 ZINC000861388419 589163008 /nfs/dbraw/zinc/16/30/08/589163008.db2.gz KKWBBAGHYZRAAU-UHFFFAOYSA-N 0 1 247.285 2.061 20 0 BEADMN O=C(OCCN1CCC1)C1=CCCCCC1 ZINC000861389510 589163406 /nfs/dbraw/zinc/16/34/06/589163406.db2.gz OGXPGDJZHUJIGJ-UHFFFAOYSA-N 0 1 223.316 2.126 20 0 BEADMN CC1=CC[C@](C)(C(=O)OCCN2CCC2)CC1 ZINC000861389882 589163410 /nfs/dbraw/zinc/16/34/10/589163410.db2.gz BLCOMTZEDIYWFF-AWEZNQCLSA-N 0 1 237.343 2.372 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)OCCN1CCC1 ZINC000861389584 589163585 /nfs/dbraw/zinc/16/35/85/589163585.db2.gz QUHSACBOMVKLOT-ZHACJKMWSA-N 0 1 225.332 2.228 20 0 BEADMN C[C@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861389686 589163785 /nfs/dbraw/zinc/16/37/85/589163785.db2.gz UPHKBJPRJKPKCF-LBPRGKRZSA-N 0 1 233.311 2.039 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)C(=O)OCCN1CCC1 ZINC000861391056 589164032 /nfs/dbraw/zinc/16/40/32/589164032.db2.gz OZTKGZNXIPRSBB-DGCLKSJQSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)OCCN1CCC1 ZINC000861391490 589164698 /nfs/dbraw/zinc/16/46/98/589164698.db2.gz DRZZHOAATUHWNU-OLZOCXBDSA-N 0 1 239.359 2.452 20 0 BEADMN CC(C)(C)C1CC(C(=O)OCCN2CCC2)C1 ZINC000861391637 589164977 /nfs/dbraw/zinc/16/49/77/589164977.db2.gz WIJSLQMHPHPNNG-UHFFFAOYSA-N 0 1 239.359 2.308 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1CCCC(F)(F)C1 ZINC000861392680 589165033 /nfs/dbraw/zinc/16/50/33/589165033.db2.gz WLHOWZBZDDLZJK-JTQLQIEISA-N 0 1 247.285 2.061 20 0 BEADMN CCN(CCS(=O)(=O)CC)C1CCCCC1 ZINC000118392570 589169528 /nfs/dbraw/zinc/16/95/28/589169528.db2.gz SWQGHAYVJKKCFE-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN O=C(/C=C\C1CCCC1)N1CCc2nc[nH]c2C1 ZINC000861763491 589177182 /nfs/dbraw/zinc/17/71/82/589177182.db2.gz ROEAOCAOKMANLL-WAYWQWQTSA-N 0 1 245.326 2.041 20 0 BEADMN CC[C@H](C)CONC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000861809083 589178892 /nfs/dbraw/zinc/17/88/92/589178892.db2.gz PBJCVHQIERMDPC-SVNGYHJRSA-N 0 1 243.347 2.140 20 0 BEADMN Cc1c(CN(C)C[C@@H]2CCCO2)ccnc1F ZINC000862217128 589195122 /nfs/dbraw/zinc/19/51/22/589195122.db2.gz XOSIMRXBJSYIMX-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)C[C@H](O)CNCc1cnc(C2CC2)o1 ZINC000862274901 589198578 /nfs/dbraw/zinc/19/85/78/589198578.db2.gz XAVPLCLMRJIDFC-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN Cc1c(F)nccc1CN[C@@H](C)c1cnn(C)c1 ZINC000862280571 589199330 /nfs/dbraw/zinc/19/93/30/589199330.db2.gz MMCRQERIYRWYRC-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@H](O)c2ccccc2)o1 ZINC000862368401 589205119 /nfs/dbraw/zinc/20/51/19/589205119.db2.gz HBFUIURPCMMEPP-YGRLFVJLSA-N 0 1 246.310 2.195 20 0 BEADMN COCCC1CCN(Cc2ccc(C)nn2)CC1 ZINC000862438065 589212815 /nfs/dbraw/zinc/21/28/15/589212815.db2.gz WSCWDLDTBSXVNI-UHFFFAOYSA-N 0 1 249.358 2.034 20 0 BEADMN CCc1nn(C)c(Cl)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000862440650 589212848 /nfs/dbraw/zinc/21/28/48/589212848.db2.gz JPCYBNMWISVKRS-DTORHVGOSA-N 0 1 239.750 2.088 20 0 BEADMN CC[C@@H]1C[C@H](CN2CC3(C2)CCCO3)CCO1 ZINC000862484665 589216920 /nfs/dbraw/zinc/21/69/20/589216920.db2.gz YPDBBMVVZVAIIT-CHWSQXEVSA-N 0 1 239.359 2.056 20 0 BEADMN CCC(N)=NOC[C@H](OC)c1ccc(F)cc1 ZINC000863455274 589288953 /nfs/dbraw/zinc/28/89/53/589288953.db2.gz CAXOJOSZUJWUFY-NSHDSACASA-N 0 1 240.278 2.422 20 0 BEADMN C[C@@H]1C[C@@H]1CON=C(N)CN1CCCC[C@H]1C ZINC000863456446 589289527 /nfs/dbraw/zinc/28/95/27/589289527.db2.gz AHYKBBRQWTWWNR-IJLUTSLNSA-N 0 1 239.363 2.015 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863474578 589291663 /nfs/dbraw/zinc/29/16/63/589291663.db2.gz CSCQUHTVWFTMJT-VZZFWQQMSA-N 0 1 245.322 2.195 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccc(O)c(C)c2)no1 ZINC000863670085 589309372 /nfs/dbraw/zinc/30/93/72/589309372.db2.gz IIWXSNYOELBWLJ-SECBINFHSA-N 0 1 247.298 2.421 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)CC1CC1 ZINC000119936564 589348279 /nfs/dbraw/zinc/34/82/79/589348279.db2.gz PWKLFUUTEOOJLQ-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCONC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000864688713 589390031 /nfs/dbraw/zinc/39/00/31/589390031.db2.gz FMOHVTXDJFEIJC-JTQLQIEISA-N 0 1 225.675 2.047 20 0 BEADMN CCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864810276 589394825 /nfs/dbraw/zinc/39/48/25/589394825.db2.gz BIDGDFFSDJDFAS-UHFFFAOYSA-N 0 1 227.695 2.032 20 0 BEADMN CCc1n[nH]c(SCOCC(C)C)n1 ZINC000865350339 589423584 /nfs/dbraw/zinc/42/35/84/589423584.db2.gz SWHQFOZTIZBPBZ-UHFFFAOYSA-N 0 1 215.322 2.089 20 0 BEADMN CCc1nc(SCOCC(C)C)n[nH]1 ZINC000865350339 589423586 /nfs/dbraw/zinc/42/35/86/589423586.db2.gz SWHQFOZTIZBPBZ-UHFFFAOYSA-N 0 1 215.322 2.089 20 0 BEADMN CCc1nc(S[C@H](C)C(=O)C(C)(C)C)n[nH]1 ZINC000865349671 589423615 /nfs/dbraw/zinc/42/36/15/589423615.db2.gz KJRHCESLFOGWBB-SSDOTTSWSA-N 0 1 241.360 2.463 20 0 BEADMN CCc1n[nH]c(S[C@H](C)C(=O)C(C)(C)C)n1 ZINC000865349671 589423617 /nfs/dbraw/zinc/42/36/17/589423617.db2.gz KJRHCESLFOGWBB-SSDOTTSWSA-N 0 1 241.360 2.463 20 0 BEADMN c1[nH]nnc1SCOC1CCCCC1 ZINC000865359514 589425138 /nfs/dbraw/zinc/42/51/38/589425138.db2.gz NJWIELLBLCPIBR-UHFFFAOYSA-N 0 1 213.306 2.204 20 0 BEADMN O=c1[nH]ccc2oc(CN3CCCC3)cc21 ZINC000865406478 589433567 /nfs/dbraw/zinc/43/35/67/589433567.db2.gz VZRYMUXWSPVUMV-UHFFFAOYSA-N 0 1 218.256 2.129 20 0 BEADMN CCc1cc(CNc2ccc([C@@H](C)O)cn2)n[nH]1 ZINC000865536658 589444035 /nfs/dbraw/zinc/44/40/35/589444035.db2.gz GWWDXZSSPSUCTE-SECBINFHSA-N 0 1 246.314 2.033 20 0 BEADMN CCOC(C)(C)CNCc1cn(C2CC2)cn1 ZINC000865538774 589444934 /nfs/dbraw/zinc/44/49/34/589444934.db2.gz NBNXSDXVJDQWCW-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN FC(F)(F)c1cnccc1N[C@H]1CCSC1 ZINC000865565231 589446755 /nfs/dbraw/zinc/44/67/55/589446755.db2.gz KCDQNUBNJZWBJV-ZETCQYMHSA-N 0 1 248.273 2.440 20 0 BEADMN CCC[C@H](CNCc1cn(C2CC2)cn1)OC ZINC000865584062 589449289 /nfs/dbraw/zinc/44/92/89/589449289.db2.gz YXRBZYLRWYPUFH-CYBMUJFWSA-N 0 1 237.347 2.123 20 0 BEADMN CO[C@@H]([C@H](C)NCc1cn(C2CC2)cn1)C1CC1 ZINC000865595020 589449963 /nfs/dbraw/zinc/44/99/63/589449963.db2.gz YCMYLLDKAUDWCL-HZMBPMFUSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H]1C[C@@H](NCc2cn(C3CC3)cn2)CS1 ZINC000865602887 589450192 /nfs/dbraw/zinc/45/01/92/589450192.db2.gz UHQRNRRDXYZXAS-VHSXEESVSA-N 0 1 237.372 2.202 20 0 BEADMN O=c1[nH]ccc2oc(CN[C@H]3C=CCC3)cc21 ZINC000865624270 589452093 /nfs/dbraw/zinc/45/20/93/589452093.db2.gz XAFSKMZNDQEYJK-VIFPVBQESA-N 0 1 230.267 2.342 20 0 BEADMN CC(C)(O)CCNc1ccncc1C(F)(F)F ZINC000865686632 589456191 /nfs/dbraw/zinc/45/61/91/589456191.db2.gz PVSVCAZATAVZIG-UHFFFAOYSA-N 0 1 248.248 2.095 20 0 BEADMN CCn1cncc1CN[C@@H]1CCCC[C@@H]1F ZINC000865697081 589456835 /nfs/dbraw/zinc/45/68/35/589456835.db2.gz RTXSBZLPCSQIDW-NWDGAFQWSA-N 0 1 225.311 2.273 20 0 BEADMN Cc1cnn(C)c1CN[C@@H]1CCCC[C@@H]1F ZINC000865697058 589456853 /nfs/dbraw/zinc/45/68/53/589456853.db2.gz QOPYPCVWKMPRRM-WDEREUQCSA-N 0 1 225.311 2.099 20 0 BEADMN F[C@@H]1CCCC[C@@H]1NCc1cnc2cnccn12 ZINC000865699108 589457339 /nfs/dbraw/zinc/45/73/39/589457339.db2.gz MDSPGTZHPZGXSO-NEPJUHHUSA-N 0 1 248.305 2.100 20 0 BEADMN CC[C@H](CNc1ccncc1C(F)(F)F)OC ZINC000865820297 589463238 /nfs/dbraw/zinc/46/32/38/589463238.db2.gz FESBGYIFKGSWTR-MRVPVSSYSA-N 0 1 248.248 2.359 20 0 BEADMN CC(C)n1cncc1CN[C@H](C)c1ccnn1C ZINC000865837506 589464202 /nfs/dbraw/zinc/46/42/02/589464202.db2.gz HEFXVBRQBHENEN-LLVKDONJSA-N 0 1 247.346 2.048 20 0 BEADMN CCc1csc(N2CCN(C)C[C@H]2CC)n1 ZINC000865836757 589464246 /nfs/dbraw/zinc/46/42/46/589464246.db2.gz RGALSHGCQKTUEU-LLVKDONJSA-N 0 1 239.388 2.236 20 0 BEADMN CC(C)n1cc(CN[C@@H](C)c2ccnn2C)cn1 ZINC000865838863 589464414 /nfs/dbraw/zinc/46/44/14/589464414.db2.gz OAVJEDVCIRKFCU-NSHDSACASA-N 0 1 247.346 2.048 20 0 BEADMN Fc1ccc(CN[C@H]2CCCn3nccc32)cn1 ZINC000865872117 589466199 /nfs/dbraw/zinc/46/61/99/589466199.db2.gz OQDARVZSEWXMKV-NSHDSACASA-N 0 1 246.289 2.042 20 0 BEADMN CC(C)c1nccc(N2CCN(C)C(C)(C)C2)n1 ZINC000865914439 589468474 /nfs/dbraw/zinc/46/84/74/589468474.db2.gz LSYRCPFGKLIJSH-UHFFFAOYSA-N 0 1 248.374 2.130 20 0 BEADMN CC(C)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866214183 589480893 /nfs/dbraw/zinc/48/08/93/589480893.db2.gz LOIVKJIAFNGVRT-CMPLNLGQSA-N 0 1 209.264 2.456 20 0 BEADMN CCCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866212792 589480927 /nfs/dbraw/zinc/48/09/27/589480927.db2.gz WDFIPYWUZRDJLT-ZYHUDNBSSA-N 0 1 209.264 2.458 20 0 BEADMN CN1CCCN(C(=O)OC2CCCCC2)CC1 ZINC000866384754 589488986 /nfs/dbraw/zinc/48/89/86/589488986.db2.gz CWVYKRZCPSJXIR-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)no1 ZINC000866443988 589492844 /nfs/dbraw/zinc/49/28/44/589492844.db2.gz BODAPSNZHHLFAD-XGEMBROFSA-N 0 1 248.326 2.057 20 0 BEADMN CC[C@H](NCc1ccnc(F)c1)c1cnn(C)c1 ZINC000866474541 589494931 /nfs/dbraw/zinc/49/49/31/589494931.db2.gz WUESDJHXCVHNEG-LBPRGKRZSA-N 0 1 248.305 2.195 20 0 BEADMN CN1CCC[C@H](NC(=O)OC2CCCCC2)C1 ZINC000866577380 589501181 /nfs/dbraw/zinc/50/11/81/589501181.db2.gz NNVANSMCUXBCRN-NSHDSACASA-N 0 1 240.347 2.140 20 0 BEADMN CCC=C(F)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000866729826 589516733 /nfs/dbraw/zinc/51/67/33/589516733.db2.gz PRTOPWDAPBPKDW-WXLQGSQKSA-N 0 1 237.278 2.167 20 0 BEADMN C[C@H](CCO)N[C@@H](C)c1c(F)cccc1F ZINC000122868206 589640524 /nfs/dbraw/zinc/64/05/24/589640524.db2.gz ZWXNNTRMGNGJSM-BDAKNGLRSA-N 0 1 229.270 2.386 20 0 BEADMN NCc1cc(C(=O)NCCCCC2CC2)co1 ZINC000870962117 589701955 /nfs/dbraw/zinc/70/19/55/589701955.db2.gz NIZNCXRMDOWWAI-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CC(C)C(N)=NOCc1coc(C2CC2)n1 ZINC000871741058 589802534 /nfs/dbraw/zinc/80/25/34/589802534.db2.gz HLYBNMOVFMBXGW-UHFFFAOYSA-N 0 1 223.276 2.206 20 0 BEADMN CCC1=NN(c2nc3ccccc3o2)C(=O)[C@@H]1F ZINC000871941419 589836175 /nfs/dbraw/zinc/83/61/75/589836175.db2.gz RFPIDWFRZQKOPS-SNVBAGLBSA-N 0 1 247.229 2.279 20 0 BEADMN CCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871945932 589838433 /nfs/dbraw/zinc/83/84/33/589838433.db2.gz DFLFHSLYWSNEJZ-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(Cl)n3)N=C12 ZINC000871951574 589840422 /nfs/dbraw/zinc/84/04/22/589840422.db2.gz REIZVSYIEPFYBJ-HTQZYQBOSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(Cl)n3)N=C12 ZINC000871951576 589840652 /nfs/dbraw/zinc/84/06/52/589840652.db2.gz REIZVSYIEPFYBJ-SFYZADRCSA-N 0 1 249.701 2.484 20 0 BEADMN CC[C@H](C)c1cc(=O)n(-c2ccnc(F)c2)[nH]1 ZINC000871953206 589841551 /nfs/dbraw/zinc/84/15/51/589841551.db2.gz GEZULHGWLPXZFZ-QMMMGPOBSA-N 0 1 235.262 2.360 20 0 BEADMN CCc1cc(=O)n(-c2ccc(Cl)nc2)[nH]1 ZINC000871954446 589842190 /nfs/dbraw/zinc/84/21/90/589842190.db2.gz OWUQOXIDNKGXKV-UHFFFAOYSA-N 0 1 223.663 2.238 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1[C@H]1CCSC1 ZINC000871958697 589844324 /nfs/dbraw/zinc/84/43/24/589844324.db2.gz FHTSKHBJRJEJRG-JTQLQIEISA-N 0 1 238.356 2.270 20 0 BEADMN O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCC2 ZINC000871963480 589846851 /nfs/dbraw/zinc/84/68/51/589846851.db2.gz PCFWUZGZBKZFDA-DTWKUNHWSA-N 0 1 242.269 2.420 20 0 BEADMN O=c1c2c([nH]n1C[C@@H]1CCCC1(F)F)CCC2 ZINC000871963480 589846854 /nfs/dbraw/zinc/84/68/54/589846854.db2.gz PCFWUZGZBKZFDA-DTWKUNHWSA-N 0 1 242.269 2.420 20 0 BEADMN CCC[C@@H](O)CN[C@@H](C)c1cc(O)ccc1F ZINC000872036483 589858327 /nfs/dbraw/zinc/85/83/27/589858327.db2.gz SNQIBYVLFSAQJZ-GXSJLCMTSA-N 0 1 241.306 2.343 20 0 BEADMN C[C@H](N[C@@H]1CCCOC1)c1cccc(O)c1F ZINC000872035246 589858331 /nfs/dbraw/zinc/85/83/31/589858331.db2.gz UUGXUUDIWNVOGW-VHSXEESVSA-N 0 1 239.290 2.361 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1cccc(O)c1F ZINC000872063917 589862521 /nfs/dbraw/zinc/86/25/21/589862521.db2.gz AGDCVUZTEHUDRK-RKDXNWHRSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cc(O)ccc1F ZINC000872081158 589866503 /nfs/dbraw/zinc/86/65/03/589866503.db2.gz WGFOAPZQCUKTNX-KKFJDGPESA-N 0 1 239.290 2.095 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(O)ccc1F ZINC000872087052 589867553 /nfs/dbraw/zinc/86/75/53/589867553.db2.gz APRYLQPBDCUECW-WQHBLYJGSA-N 0 1 239.290 2.359 20 0 BEADMN C[C@H](NCCOCCF)c1cc(O)ccc1F ZINC000872087391 589867920 /nfs/dbraw/zinc/86/79/20/589867920.db2.gz COEGOGJKYMRASK-VIFPVBQESA-N 0 1 245.269 2.168 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccn(C)n1 ZINC000872107166 589872467 /nfs/dbraw/zinc/87/24/67/589872467.db2.gz LCMFDVWDRXZFQL-ZJQBRPOHSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccn(C)n1 ZINC000872107163 589872790 /nfs/dbraw/zinc/87/27/90/589872790.db2.gz LCMFDVWDRXZFQL-KZVDOYCCSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nonc1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000872136357 589879494 /nfs/dbraw/zinc/87/94/94/589879494.db2.gz NCJBVHYGNFGXGT-VHSXEESVSA-N 0 1 223.320 2.292 20 0 BEADMN CCn1ncc(N[C@@H](C)c2cn[nH]c2C)c1C ZINC000872138182 589879754 /nfs/dbraw/zinc/87/97/54/589879754.db2.gz STXSYOFZFQMGAY-QMMMGPOBSA-N 0 1 233.319 2.416 20 0 BEADMN CCn1ncc(N[C@@H]2CCCc3[nH]ncc32)c1C ZINC000872140026 589881007 /nfs/dbraw/zinc/88/10/07/589881007.db2.gz VWFONSGAYZIZET-LLVKDONJSA-N 0 1 245.330 2.424 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872165730 589886828 /nfs/dbraw/zinc/88/68/28/589886828.db2.gz JZMQVFPGADYJLV-IAQYHMDHSA-N 0 1 245.322 2.049 20 0 BEADMN Cc1cc(CN)oc1-c1nc([C@H]2C[C@@H]2C)no1 ZINC000872174674 589887736 /nfs/dbraw/zinc/88/77/36/589887736.db2.gz FHCKHGPRTTZZMJ-RCOVLWMOSA-N 0 1 233.271 2.220 20 0 BEADMN Cc1cc(CN)oc1-c1nc(C(C)C)no1 ZINC000872173056 589887930 /nfs/dbraw/zinc/88/79/30/589887930.db2.gz PWCDXKRAGQYKNV-UHFFFAOYSA-N 0 1 221.260 2.220 20 0 BEADMN CN1CCN([C@H]2C=CCCC2)Cc2cccnc21 ZINC000872318693 589911679 /nfs/dbraw/zinc/91/16/79/589911679.db2.gz OADIVQMQECUEOI-AWEZNQCLSA-N 0 1 243.354 2.442 20 0 BEADMN CCC(C)(C)CCS(=O)(=O)Nc1cnoc1 ZINC000872346667 589916001 /nfs/dbraw/zinc/91/60/01/589916001.db2.gz FKCGQHZQFHTJJK-UHFFFAOYSA-N 0 1 246.332 2.243 20 0 BEADMN O=C(NCCC1CCC1)c1ccc(F)cc1O ZINC000124085095 589939521 /nfs/dbraw/zinc/93/95/21/589939521.db2.gz BTCFWYABHKRUJR-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN CC[N@@H+](CN1CCC2(CCCC2)C1=O)C1CC1 ZINC000872559876 589951202 /nfs/dbraw/zinc/95/12/02/589951202.db2.gz BEXRGPGIJJVWFS-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CCN(CN1CCC2(CCCC2)C1=O)C1CC1 ZINC000872559876 589951205 /nfs/dbraw/zinc/95/12/05/589951205.db2.gz BEXRGPGIJJVWFS-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CN(CC1CC1)CN1CCC2(CCCC2)C1=O ZINC000872564311 589951778 /nfs/dbraw/zinc/95/17/78/589951778.db2.gz SPTAERSAEIIACG-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CN(CCC1CC1)CN1CCC2(CCC2)C1=O ZINC000872590962 589954564 /nfs/dbraw/zinc/95/45/64/589954564.db2.gz DUCGCWQSDWLAGY-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1N(CN2CC[C@H]3C[C@H]3C2)CCC12CCCC2 ZINC000872623076 589956979 /nfs/dbraw/zinc/95/69/79/589956979.db2.gz PKHHAKBDXLRNHZ-STQMWFEESA-N 0 1 248.370 2.078 20 0 BEADMN CC(C)CCCCCC(=O)N1CCNC[C@H]1C ZINC000124342842 589978060 /nfs/dbraw/zinc/97/80/60/589978060.db2.gz KRIQQVBFPJTFKD-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)(C)[C@@H](Cn1ccnc1)NCc1ccon1 ZINC000873023338 589979968 /nfs/dbraw/zinc/97/99/68/589979968.db2.gz YVGGGMFMYMGARO-GFCCVEGCSA-N 0 1 248.330 2.076 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H](C)COC(C)C ZINC000873186781 589990466 /nfs/dbraw/zinc/99/04/66/589990466.db2.gz FREJDFGEFYSWSB-ZYHUDNBSSA-N 0 1 237.347 2.249 20 0 BEADMN CC(=O)[C@H](C)OC(=O)c1c2cn[nH]c2ccc1C ZINC000873488201 590049182 /nfs/dbraw/zinc/04/91/82/590049182.db2.gz HAKMYSSWIXIZLW-VIFPVBQESA-N 0 1 246.266 2.006 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCC1CC1 ZINC000873642443 590065867 /nfs/dbraw/zinc/06/58/67/590065867.db2.gz VHBXYLDWGHYPEL-MWLCHTKSSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@H](Cc1ccco1)N[C@H](C)c1ncc[nH]1 ZINC000124678204 590072388 /nfs/dbraw/zinc/07/23/88/590072388.db2.gz GBGUFQDDGCAVTA-NXEZZACHSA-N 0 1 219.288 2.285 20 0 BEADMN C[C@H](C(=O)N1Cc2ccccc2[C@@H](C)C1)N(C)C ZINC000873820375 590073067 /nfs/dbraw/zinc/07/30/67/590073067.db2.gz YKBOTQJLPSDVRK-NWDGAFQWSA-N 0 1 246.354 2.082 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1cn[nH]c1C ZINC000873961758 590081424 /nfs/dbraw/zinc/08/14/24/590081424.db2.gz VJGXVHWAKNZTMT-JTQLQIEISA-N 0 1 223.320 2.161 20 0 BEADMN CC[C@@H](CO)N[C@@H](C)c1c(F)cccc1F ZINC000020194936 590083916 /nfs/dbraw/zinc/08/39/16/590083916.db2.gz MJFHXYWRAXMJNQ-IUCAKERBSA-N 0 1 229.270 2.386 20 0 BEADMN Cc1cccnc1NC(=O)CN(C)CC(C)(C)C ZINC000874065485 590090118 /nfs/dbraw/zinc/09/01/18/590090118.db2.gz WJAKUBJMAVMXLZ-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)CN1CCCC1 ZINC000874189195 590096284 /nfs/dbraw/zinc/09/62/84/590096284.db2.gz UVJXJIGTFWRNBB-QWHCGFSZSA-N 0 1 238.375 2.025 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)[C@H]1CCN1C1CCCC1 ZINC000874772859 590128019 /nfs/dbraw/zinc/12/80/19/590128019.db2.gz PXBPSTBRUAKBFF-CHWSQXEVSA-N 0 1 248.370 2.062 20 0 BEADMN CC1(NC(=O)C(F)(F)C(F)F)CC(F)(F)C1 ZINC000874855520 590148106 /nfs/dbraw/zinc/14/81/06/590148106.db2.gz YDYPRLYSGFWQLE-UHFFFAOYSA-N 0 1 249.154 2.191 20 0 BEADMN CSC[C@@H](C)C(=O)NOc1ccccc1F ZINC000874911398 590154778 /nfs/dbraw/zinc/15/47/78/590154778.db2.gz LEDDRKBWTSYXDN-MRVPVSSYSA-N 0 1 243.303 2.235 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@H]1CCCC2(CC2)C1 ZINC000888696844 590185974 /nfs/dbraw/zinc/18/59/74/590185974.db2.gz WZKITXFJFLANLJ-NSHDSACASA-N 0 1 247.342 2.181 20 0 BEADMN CCCn1cc(CN2C[C@H](C)C[C@H](C)C2)nn1 ZINC000876526580 590208733 /nfs/dbraw/zinc/20/87/33/590208733.db2.gz XNMJQLCEHAFKTR-TXEJJXNPSA-N 0 1 236.363 2.166 20 0 BEADMN CCC[C@H](C)N(C)Cc1cn(CCC)nn1 ZINC000876583637 590218445 /nfs/dbraw/zinc/21/84/45/590218445.db2.gz OFYOAFRXZFQAHM-NSHDSACASA-N 0 1 224.352 2.309 20 0 BEADMN COc1cnc(F)c(CN(C)[C@@H](C)C2CC2)c1 ZINC000876590613 590219515 /nfs/dbraw/zinc/21/95/15/590219515.db2.gz ZCUILURGUBPFJP-VIFPVBQESA-N 0 1 238.306 2.460 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](C)CC2)nn1 ZINC000876643045 590225509 /nfs/dbraw/zinc/22/55/09/590225509.db2.gz RWXHQCGECGSECC-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2CCC[C@H](C)CC2)nn1 ZINC000876643046 590225533 /nfs/dbraw/zinc/22/55/33/590225533.db2.gz RWXHQCGECGSECC-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2C[C@H](C)C[C@H]2CC)nn1 ZINC000876747866 590237389 /nfs/dbraw/zinc/23/73/89/590237389.db2.gz OSBQCFUQTRCENK-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1cc(C)cc(CCN(C)Cc2nnc[nH]2)c1 ZINC000876749141 590237409 /nfs/dbraw/zinc/23/74/09/590237409.db2.gz KOAVPDBVUSDBLD-UHFFFAOYSA-N 0 1 244.342 2.096 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000876827329 590246828 /nfs/dbraw/zinc/24/68/28/590246828.db2.gz PMZSNRTUKRAYHZ-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN COCC[C@@H](C)NCc1nc(Cl)cs1 ZINC000876994352 590266220 /nfs/dbraw/zinc/26/62/20/590266220.db2.gz HHXYPWJSTOVYFT-SSDOTTSWSA-N 0 1 234.752 2.311 20 0 BEADMN CC(C)(CCO)NCc1nc(Cl)cs1 ZINC000877042047 590273203 /nfs/dbraw/zinc/27/32/03/590273203.db2.gz LHZGATGAQACULQ-UHFFFAOYSA-N 0 1 234.752 2.047 20 0 BEADMN COc1cnc(F)c(CN[C@H](C)CSC)c1 ZINC000877051947 590274610 /nfs/dbraw/zinc/27/46/10/590274610.db2.gz OPMBAGRGMMOERL-MRVPVSSYSA-N 0 1 244.335 2.070 20 0 BEADMN CC[C@@H](O)CCNCc1nc(Cl)cs1 ZINC000877111688 590287406 /nfs/dbraw/zinc/28/74/06/590287406.db2.gz MOGRCDAKFKUTDT-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN CC1=C(C)C[C@H]([C@@H](C)NCc2ncn(C)n2)CC1 ZINC000877120489 590288964 /nfs/dbraw/zinc/28/89/64/590288964.db2.gz SXJPELDCMUEFOK-CHWSQXEVSA-N 0 1 248.374 2.430 20 0 BEADMN COc1cc(CN[C@@H](C)c2ccc[nH]2)sn1 ZINC000877124635 590289533 /nfs/dbraw/zinc/28/95/33/590289533.db2.gz OZKOBHMJRXSIBF-QMMMGPOBSA-N 0 1 237.328 2.331 20 0 BEADMN ClC1(Cl)C[C@H]1CN[C@@H]1CCn2ccnc21 ZINC000877557785 590358801 /nfs/dbraw/zinc/35/88/01/590358801.db2.gz XKTSUEZEHBTGCN-JGVFFNPUSA-N 0 1 246.141 2.111 20 0 BEADMN CC[C@@H](NCc1nc(Cl)cs1)[C@@H](C)O ZINC000877569023 590361490 /nfs/dbraw/zinc/36/14/90/590361490.db2.gz XYJZNVWVUDZWKO-RNFRBKRXSA-N 0 1 234.752 2.046 20 0 BEADMN CCCn1cc(CN2CC(C)(C)C[C@H]2C)nn1 ZINC000877591508 590369016 /nfs/dbraw/zinc/36/90/16/590369016.db2.gz VUGZYQQTMGOXAB-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@@H](NC[C@H]1CC1(Cl)Cl)c1nccn1C ZINC000877639540 590381544 /nfs/dbraw/zinc/38/15/44/590381544.db2.gz ASQXNNJXTMKTBE-HTQZYQBOSA-N 0 1 248.157 2.265 20 0 BEADMN C[C@@H]1C[C@@H](NCc2nc(Cl)cs2)[C@@H](C)O1 ZINC000877683223 590390920 /nfs/dbraw/zinc/39/09/20/590390920.db2.gz URESKCMZBCLFTJ-BWZBUEFSSA-N 0 1 246.763 2.452 20 0 BEADMN C[C@@H]1C[C@H](NCc2nc(Cl)cs2)[C@H](C)O1 ZINC000877683224 590391113 /nfs/dbraw/zinc/39/11/13/590391113.db2.gz URESKCMZBCLFTJ-CSMHCCOUSA-N 0 1 246.763 2.452 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccoc2)C1 ZINC000877686340 590392260 /nfs/dbraw/zinc/39/22/60/590392260.db2.gz OLMUAZAFQPUILM-UHFFFAOYSA-N 0 1 221.300 2.138 20 0 BEADMN COC(=O)/C=C\c1ccc(CN2CC(C)(C)C2)o1 ZINC000877718061 590400183 /nfs/dbraw/zinc/40/01/83/590400183.db2.gz WGHCULBBEBVMDQ-SREVYHEPSA-N 0 1 249.310 2.308 20 0 BEADMN Cc1cc(CN2CC[C@@H]3CSC[C@H]3C2)no1 ZINC000877740105 590406365 /nfs/dbraw/zinc/40/63/65/590406365.db2.gz UYAWLLTZSULTPZ-GHMZBOCLSA-N 0 1 238.356 2.168 20 0 BEADMN Cc1cc(CNCC[C@@H](O)C2CCCC2)no1 ZINC000877778512 590423474 /nfs/dbraw/zinc/42/34/74/590423474.db2.gz OYYZUSFKMOSBMA-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN Clc1cnc(CNCCC[C@H]2CCO2)s1 ZINC000877807444 590426170 /nfs/dbraw/zinc/42/61/70/590426170.db2.gz QXCMVTBTZNGYNZ-QMMMGPOBSA-N 0 1 246.763 2.455 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877896351 590441915 /nfs/dbraw/zinc/44/19/15/590441915.db2.gz XTKLIZWTPCYUFG-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)CN1CC[NH+](CCCC2CC2)CC1 ZINC000877894599 590442035 /nfs/dbraw/zinc/44/20/35/590442035.db2.gz SSOXSNYIVYVTHM-UHFFFAOYSA-N 0 1 224.392 2.450 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC000877898634 590442335 /nfs/dbraw/zinc/44/23/35/590442335.db2.gz BTRCDZHLNUUGMY-AVGNSLFASA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCO1 ZINC000877898634 590442338 /nfs/dbraw/zinc/44/23/38/590442338.db2.gz BTRCDZHLNUUGMY-AVGNSLFASA-N 0 1 239.359 2.055 20 0 BEADMN C[C@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000877899273 590442381 /nfs/dbraw/zinc/44/23/81/590442381.db2.gz ZSFGFYGVEVMDIK-NWDGAFQWSA-N 0 1 241.375 2.301 20 0 BEADMN CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877899264 590442712 /nfs/dbraw/zinc/44/27/12/590442712.db2.gz OJURAUYYSNCWEN-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)CN(C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000877899264 590442715 /nfs/dbraw/zinc/44/27/15/590442715.db2.gz OJURAUYYSNCWEN-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877899265 590442908 /nfs/dbraw/zinc/44/29/08/590442908.db2.gz OJURAUYYSNCWEN-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)CN(C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877899265 590442912 /nfs/dbraw/zinc/44/29/12/590442912.db2.gz OJURAUYYSNCWEN-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000877899382 590443002 /nfs/dbraw/zinc/44/30/02/590443002.db2.gz RMFAQSBBHWPYSE-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)CN(C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000877899382 590443003 /nfs/dbraw/zinc/44/30/03/590443003.db2.gz RMFAQSBBHWPYSE-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCCCC1 ZINC000877908878 590445356 /nfs/dbraw/zinc/44/53/56/590445356.db2.gz ZHMIURDLOHBNGS-MFKMUULPSA-N 0 1 247.342 2.088 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)[C@@H](C)CO1 ZINC000877920548 590447416 /nfs/dbraw/zinc/44/74/16/590447416.db2.gz QHNFLPKSHJJTBR-YNEHKIRRSA-N 0 1 241.375 2.301 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877922154 590448261 /nfs/dbraw/zinc/44/82/61/590448261.db2.gz ICKYMXTXLAGBDR-KWBADKCTSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1ccc(C[N@H+](C)CC[C@@H](O)C(C)C)o1 ZINC000877934027 590450783 /nfs/dbraw/zinc/45/07/83/590450783.db2.gz ZDDDSSPVFNKUFE-CYBMUJFWSA-N 0 1 225.332 2.427 20 0 BEADMN OCCN(Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000877961143 590458821 /nfs/dbraw/zinc/45/88/21/590458821.db2.gz FYSLJHNIYQIKRR-UHFFFAOYSA-N 0 1 249.232 2.255 20 0 BEADMN CC1(C)CCC[C@@H](CN2CCOCC2(C)C)O1 ZINC000877996189 590468778 /nfs/dbraw/zinc/46/87/78/590468778.db2.gz OTBFBGCZUFQMKR-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)CCC[C@H](CN2CCOCC2(C)C)O1 ZINC000877996188 590468917 /nfs/dbraw/zinc/46/89/17/590468917.db2.gz OTBFBGCZUFQMKR-GFCCVEGCSA-N 0 1 241.375 2.445 20 0 BEADMN CC1(C)COCCN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877995422 590469049 /nfs/dbraw/zinc/46/90/49/590469049.db2.gz HDDIJVXTMRNFDN-AVGNSLFASA-N 0 1 239.359 2.055 20 0 BEADMN CCC[N@@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC000878014788 590471642 /nfs/dbraw/zinc/47/16/42/590471642.db2.gz WUPXYXLPKFDASW-UHFFFAOYSA-N 0 1 247.298 2.284 20 0 BEADMN CC1CCN(CC(=O)NCCC2CCC2)CC1 ZINC000126859543 590476298 /nfs/dbraw/zinc/47/62/98/590476298.db2.gz PFYZUKQABVBHDH-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@@H]1CCCN1CC(=O)Nc1ncccc1C ZINC000878046407 590479952 /nfs/dbraw/zinc/47/99/52/590479952.db2.gz YWSNPJUTMXPBHA-GFCCVEGCSA-N 0 1 247.342 2.203 20 0 BEADMN C[C@H](CN(C)CCS(C)(=O)=O)CC(C)(C)C ZINC000878044829 590480078 /nfs/dbraw/zinc/48/00/78/590480078.db2.gz NDIWTHCRVOIJJO-NSHDSACASA-N 0 1 249.420 2.035 20 0 BEADMN C=C/C=C/CCN(CC(N)=O)Cc1ccccc1 ZINC000878099719 590493679 /nfs/dbraw/zinc/49/36/79/590493679.db2.gz VOBGGUFUFYCIOY-ONEGZZNKSA-N 0 1 244.338 2.106 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000878106721 590495366 /nfs/dbraw/zinc/49/53/66/590495366.db2.gz QCXOGJTWTVMOMZ-CQSZACIVSA-N 0 1 217.312 2.065 20 0 BEADMN CC[C@H]1COCCN1C[C@H]1CCC(C)(C)CO1 ZINC000878109751 590495862 /nfs/dbraw/zinc/49/58/62/590495862.db2.gz ZSJVFZHUSJFGMN-QWHCGFSZSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@@H]1CSCCN1CCCOC(F)(F)F ZINC000878120881 590499608 /nfs/dbraw/zinc/49/96/08/590499608.db2.gz LWLNBMOAYHIUAH-MRVPVSSYSA-N 0 1 243.294 2.350 20 0 BEADMN C[C@@H](O)CN(C)Cc1cc(C(F)(F)F)co1 ZINC000878128791 590502606 /nfs/dbraw/zinc/50/26/06/590502606.db2.gz HSQHUIRXHWGRMA-SSDOTTSWSA-N 0 1 237.221 2.111 20 0 BEADMN CN(CCCS(=O)(=O)C(C)(C)C)C1CCC1 ZINC000878135990 590505056 /nfs/dbraw/zinc/50/50/56/590505056.db2.gz QKKYLPNJPVGXHZ-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1conc1CN1CCC2(CCC2)C1 ZINC000878187788 590519843 /nfs/dbraw/zinc/51/98/43/590519843.db2.gz HMWBPLXMLAJMMH-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN COC(=O)C(C)(C)N(C)CC1CC2(CCC2)C1 ZINC000878239685 590528568 /nfs/dbraw/zinc/52/85/68/590528568.db2.gz JXSOJGYUSLPXEQ-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@H]1CCCC(C)(C)O1 ZINC000878263506 590530280 /nfs/dbraw/zinc/53/02/80/590530280.db2.gz LZNCNIKJCHXJPU-LBPRGKRZSA-N 0 1 237.347 2.189 20 0 BEADMN C[C@@H]1COCCCN1CCCOC(F)(F)F ZINC000878286962 590533869 /nfs/dbraw/zinc/53/38/69/590533869.db2.gz VXKTZIXNEPOADE-SECBINFHSA-N 0 1 241.253 2.024 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878298995 590537608 /nfs/dbraw/zinc/53/76/08/590537608.db2.gz ONJIAKXDYWPZSF-KKUMJFAQSA-N 0 1 246.354 2.471 20 0 BEADMN CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000878347628 590553184 /nfs/dbraw/zinc/55/31/84/590553184.db2.gz OTHMWRJIGYCNSE-MFKMUULPSA-N 0 1 249.358 2.333 20 0 BEADMN CC[C@H](NCc1nocc1C)[C@@H]1CCCO1 ZINC000878412909 590563054 /nfs/dbraw/zinc/56/30/54/590563054.db2.gz BIILIXDMLRZMBH-JQWIXIFHSA-N 0 1 224.304 2.030 20 0 BEADMN C=C/C=C\CCN1CCO[C@H](COC(C)C)C1 ZINC000878448959 590569266 /nfs/dbraw/zinc/56/92/66/590569266.db2.gz XKUBQUSYTWPPGT-GXMNPTEKSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1conc1CN1CCSCC[C@@H]1C ZINC000878504182 590581695 /nfs/dbraw/zinc/58/16/95/590581695.db2.gz DSBHNXNRSDHSQX-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN COC(=O)[C@H](C)N(C)CC[C@@H]1CCCC1(F)F ZINC000878546848 590589821 /nfs/dbraw/zinc/58/98/21/590589821.db2.gz OXUUBSSWOGZYJO-UWVGGRQHSA-N 0 1 249.301 2.305 20 0 BEADMN CC(C)(C)SCCCN1CC[C@](F)(CO)C1 ZINC000878567917 590593113 /nfs/dbraw/zinc/59/31/13/590593113.db2.gz DMRMFFYUPQARKJ-GFCCVEGCSA-N 0 1 249.395 2.315 20 0 BEADMN C=C/C=C\CCN1CCOC[C@@H]1CC(F)F ZINC000878611128 590595974 /nfs/dbraw/zinc/59/59/74/590595974.db2.gz JVNGSMNFJXUUAK-BYCRGOAPSA-N 0 1 231.286 2.475 20 0 BEADMN CC(C)N(C[C@H]1CC2(CCC2)CO1)C1COC1 ZINC000878657766 590604143 /nfs/dbraw/zinc/60/41/43/590604143.db2.gz JCYYYYLKLNKEFI-CYBMUJFWSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)CC[C@@H](CN2CC[C@@H](F)C2)OC1 ZINC000878663029 590605011 /nfs/dbraw/zinc/60/50/11/590605011.db2.gz GEUQMHAONPZUSV-MNOVXSKESA-N 0 1 215.312 2.235 20 0 BEADMN C=C/C=C\CCN1CC[S@](=O)C(C)(C)CC1 ZINC000878683494 590609405 /nfs/dbraw/zinc/60/94/05/590609405.db2.gz ZNWARRLJERZLCI-KJPDOMRESA-N 0 1 241.400 2.352 20 0 BEADMN C=C/C=C\CC[NH2+]C(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000878686827 590609728 /nfs/dbraw/zinc/60/97/28/590609728.db2.gz HXZLGNOKANSPEK-SREVYHEPSA-N 0 1 247.342 2.448 20 0 BEADMN COC[C@H]1CCCN(Cc2nocc2C)CC1 ZINC000878693339 590610276 /nfs/dbraw/zinc/61/02/76/590610276.db2.gz RYLPLZFVCFOSIO-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CO[C@](C)([C@H](C)NCc1nocc1C)C1CC1 ZINC000878708986 590613883 /nfs/dbraw/zinc/61/38/83/590613883.db2.gz CMDFBRGVKVIWJN-GXFFZTMASA-N 0 1 238.331 2.276 20 0 BEADMN C=C/C=C\CC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000878746939 590618112 /nfs/dbraw/zinc/61/81/12/590618112.db2.gz FBTYUADNRWQAIW-MVZIDQBPSA-N 0 1 242.313 2.144 20 0 BEADMN FCCN1CCC[C@H](c2cccnc2)C1 ZINC000878752940 590618922 /nfs/dbraw/zinc/61/89/22/590618922.db2.gz DPXJZJKDZWNIPN-LBPRGKRZSA-N 0 1 208.280 2.231 20 0 BEADMN Cc1conc1CN1CC[C@@H](c2cccnc2)C1 ZINC000878760954 590619264 /nfs/dbraw/zinc/61/92/64/590619264.db2.gz SBCHYKCTONBPFO-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@@H]1CCCC(C)(C)O1 ZINC000878884778 590640517 /nfs/dbraw/zinc/64/05/17/590640517.db2.gz LTWSIIZMEFBJPQ-LBPRGKRZSA-N 0 1 237.347 2.189 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)NCc1cnc[nH]1 ZINC000878907882 590645708 /nfs/dbraw/zinc/64/57/08/590645708.db2.gz RJIWCVUNGJAZFI-GXFFZTMASA-N 0 1 235.331 2.242 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1nnc(C)[nH]1 ZINC000878929014 590653608 /nfs/dbraw/zinc/65/36/08/590653608.db2.gz BGFHLJXYDWEXMU-BXKDBHETSA-N 0 1 236.319 2.268 20 0 BEADMN CC(C)[C@@H](O)CCN1CCC[C@H]1c1ncccn1 ZINC000878978228 590667056 /nfs/dbraw/zinc/66/70/56/590667056.db2.gz QBKIZBGDXLYZNL-STQMWFEESA-N 0 1 249.358 2.021 20 0 BEADMN COCC1(NCc2nocc2C)CCCCC1 ZINC000879006581 590673103 /nfs/dbraw/zinc/67/31/03/590673103.db2.gz WXBIFCBGYBQHOS-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN Cc1conc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000879036544 590682785 /nfs/dbraw/zinc/68/27/85/590682785.db2.gz YZGPHRPHSDSNFC-MNOVXSKESA-N 0 1 238.356 2.453 20 0 BEADMN CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879173769 590708938 /nfs/dbraw/zinc/70/89/38/590708938.db2.gz SSHPJBLYGPXKIO-TVQRCGJNSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1[nH]ncc1CN(C)CC(F)(F)C(F)F ZINC000879185954 590709783 /nfs/dbraw/zinc/70/97/83/590709783.db2.gz USNSUQWHLIQUOE-UHFFFAOYSA-N 0 1 239.216 2.050 20 0 BEADMN C[C@H](NCc1cnon1)[C@@]12C[C@@H]1CCCC2 ZINC000879265271 590724031 /nfs/dbraw/zinc/72/40/31/590724031.db2.gz GONGVCBRWOJJDH-JBLDHEPKSA-N 0 1 221.304 2.128 20 0 BEADMN C[C@H](NCc1cnon1)[C@]12C[C@H]1CCCC2 ZINC000879265273 590724273 /nfs/dbraw/zinc/72/42/73/590724273.db2.gz GONGVCBRWOJJDH-UMNHJUIQSA-N 0 1 221.304 2.128 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000879324228 590744007 /nfs/dbraw/zinc/74/40/07/590744007.db2.gz FXMXMQGZQJGYGZ-GWCFXTLKSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2ccnc(F)c2)C1 ZINC000879325207 590745688 /nfs/dbraw/zinc/74/56/88/590745688.db2.gz JDTNMVCOCDRRMG-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN C[N@@H+](CC(C)(C)CNC(=O)[O-])[C@@H]1C=CCCC1 ZINC000828155019 603546436 /nfs/dbraw/zinc/54/64/36/603546436.db2.gz SLFSASYIOFBREP-LLVKDONJSA-N 0 1 240.347 2.321 20 0 BEADMN Cc1conc1CNC(C)(C)[C@H]1CCCCO1 ZINC000879407484 590763806 /nfs/dbraw/zinc/76/38/06/590763806.db2.gz LLDOYDBRAHUYAD-GFCCVEGCSA-N 0 1 238.331 2.420 20 0 BEADMN C[C@H](O)CN1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478195 590777439 /nfs/dbraw/zinc/77/74/39/590777439.db2.gz OOXOHNTYQFCZLJ-JSGCOSHPSA-N 0 1 237.318 2.328 20 0 BEADMN OCCCN1CCC[C@](F)(c2ccccc2)C1 ZINC000879477996 590777595 /nfs/dbraw/zinc/77/75/95/590777595.db2.gz GERNJOKHOTYUGH-CQSZACIVSA-N 0 1 237.318 2.330 20 0 BEADMN CCCC[N@H+]1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879526306 590789177 /nfs/dbraw/zinc/78/91/77/590789177.db2.gz WOBMBKZKZGHUSK-HNNXBMFYSA-N 0 1 248.370 2.442 20 0 BEADMN CCC[N@H+]1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879526196 590789974 /nfs/dbraw/zinc/78/99/74/590789974.db2.gz KATKKEHKTORCQS-CQSZACIVSA-N 0 1 234.343 2.052 20 0 BEADMN Cc1conc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879565104 590805000 /nfs/dbraw/zinc/80/50/00/590805000.db2.gz PSIBTSZSMPQHPO-QWRGUYRKSA-N 0 1 238.356 2.168 20 0 BEADMN C[C@H]1CCN[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000127910551 590841717 /nfs/dbraw/zinc/84/17/17/590841717.db2.gz LZWYFAXEBDXDII-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1c(Cl)ccc2c1CN(C[C@H](C)O)CC2 ZINC000879769520 590862230 /nfs/dbraw/zinc/86/22/30/590862230.db2.gz SXJSSQOMEZRWIB-VIFPVBQESA-N 0 1 239.746 2.387 20 0 BEADMN Cn1ncc(C[N@H+]2CC[C@@]2(C)C2CCCCC2)n1 ZINC000879789889 590870190 /nfs/dbraw/zinc/87/01/90/590870190.db2.gz IAQSQBANLYNONW-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncc(CN2CC[C@@]2(C)C2CCCCC2)n1 ZINC000879789889 590870196 /nfs/dbraw/zinc/87/01/96/590870196.db2.gz IAQSQBANLYNONW-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN Cc1nonc1CN(C)C[C@H](C)C(C)(C)C ZINC000880077326 590920056 /nfs/dbraw/zinc/92/00/56/590920056.db2.gz ZTTLRXHWFIZDED-VIFPVBQESA-N 0 1 225.336 2.492 20 0 BEADMN CCC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000880176355 590950251 /nfs/dbraw/zinc/95/02/51/590950251.db2.gz PXMHYDPNUVKQIK-BXKDBHETSA-N 0 1 247.342 2.134 20 0 BEADMN CCC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000880176358 590950517 /nfs/dbraw/zinc/95/05/17/590950517.db2.gz PXMHYDPNUVKQIK-JOYOIKCWSA-N 0 1 247.342 2.134 20 0 BEADMN CCC=C(C)C(=O)Nc1cccc2[nH]nnc21 ZINC000880196398 590956625 /nfs/dbraw/zinc/95/66/25/590956625.db2.gz PHYVJGULSGEZSL-VMPITWQZSA-N 0 1 230.271 2.253 20 0 BEADMN FC[C@H]1CCCN(Cc2cncs2)C1 ZINC000880237332 590968016 /nfs/dbraw/zinc/96/80/16/590968016.db2.gz AWHZNKFCSGQXDQ-SECBINFHSA-N 0 1 214.309 2.325 20 0 BEADMN COc1ncccc1CN1CCC[C@@H](CF)C1 ZINC000880237590 590968739 /nfs/dbraw/zinc/96/87/39/590968739.db2.gz YEXXZLNHBWMEFH-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN FC[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000880238041 590969347 /nfs/dbraw/zinc/96/93/47/590969347.db2.gz NFEIRQGIUNIFDB-NSHDSACASA-N 0 1 226.270 2.402 20 0 BEADMN FC[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000880238135 590970459 /nfs/dbraw/zinc/97/04/59/590970459.db2.gz PQFQQCVTJQIJMK-SNVBAGLBSA-N 0 1 226.270 2.402 20 0 BEADMN Cc1nnsc1CN1CCC[C@@H](CF)C1 ZINC000880238584 590971813 /nfs/dbraw/zinc/97/18/13/590971813.db2.gz VGAUUFJXQMCLJF-VIFPVBQESA-N 0 1 229.324 2.028 20 0 BEADMN COc1cncc(CN2CCC(F)CC2)c1 ZINC000880239388 590973201 /nfs/dbraw/zinc/97/32/01/590973201.db2.gz GMXYGUWHYZEHGE-UHFFFAOYSA-N 0 1 224.279 2.024 20 0 BEADMN COc1cc(C)nc(CN2CCC(F)CC2)c1 ZINC000880240232 590974063 /nfs/dbraw/zinc/97/40/63/590974063.db2.gz QRUUBKFZFHRWJP-UHFFFAOYSA-N 0 1 238.306 2.333 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H](CF)C2)o1 ZINC000880299390 590993722 /nfs/dbraw/zinc/99/37/22/590993722.db2.gz SARQWXSUFAXJJL-VHSXEESVSA-N 0 1 212.268 2.335 20 0 BEADMN FC(F)OCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880322275 591005591 /nfs/dbraw/zinc/00/55/91/591005591.db2.gz FNPCRVVNLRIBNF-QMMMGPOBSA-N 0 1 248.298 2.172 20 0 BEADMN FC(F)OCCN1CC[C@H](c2nccs2)C1 ZINC000880322275 591005596 /nfs/dbraw/zinc/00/55/96/591005596.db2.gz FNPCRVVNLRIBNF-QMMMGPOBSA-N 0 1 248.298 2.172 20 0 BEADMN COC(C)(C)CCNC1(c2ncccn2)CCC1 ZINC000880366247 591011961 /nfs/dbraw/zinc/01/19/61/591011961.db2.gz CCGALMFDHAIOKP-UHFFFAOYSA-N 0 1 249.358 2.261 20 0 BEADMN Cc1nc(CN2CCc3ccsc3[C@@H]2C)n[nH]1 ZINC000880377493 591016206 /nfs/dbraw/zinc/01/62/06/591016206.db2.gz XLSIEXALCCRBGO-QMMMGPOBSA-N 0 1 248.355 2.294 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1CC=C(Cl)Cl ZINC000880434429 591037352 /nfs/dbraw/zinc/03/73/52/591037352.db2.gz BOFBKJGCJKRZCK-HTQZYQBOSA-N 0 1 224.131 2.151 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1nc2ccccc2o1 ZINC000880440622 591041984 /nfs/dbraw/zinc/04/19/84/591041984.db2.gz GIKQXCOYQPWVKX-GHMZBOCLSA-N 0 1 246.310 2.173 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cccnc1Cl ZINC000880444892 591046389 /nfs/dbraw/zinc/04/63/89/591046389.db2.gz ZZXQDEJVVWBKKJ-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1conc1C ZINC000880448667 591047672 /nfs/dbraw/zinc/04/76/72/591047672.db2.gz SVMRQMBBORTQAR-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN OC[C@H]1C=CCN1CCc1ccccc1Cl ZINC000880485595 591058295 /nfs/dbraw/zinc/05/82/95/591058295.db2.gz DVPUAZSBGVDKFL-GFCCVEGCSA-N 0 1 237.730 2.115 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@]23CCCO3)o1 ZINC000880499887 591075335 /nfs/dbraw/zinc/07/53/35/591075335.db2.gz VUBKVWVMXKXKOH-YPMHNXCESA-N 0 1 236.315 2.174 20 0 BEADMN C/C=C(\CC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610521 591109812 /nfs/dbraw/zinc/10/98/12/591109812.db2.gz STUUFILHIJACEW-HGUBUVJJSA-N 0 1 238.375 2.284 20 0 BEADMN C/C=C(/CC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610522 591110276 /nfs/dbraw/zinc/11/02/76/591110276.db2.gz STUUFILHIJACEW-VYELTOFOSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1nonc1CN[C@@H]1CCC(C)(C)C1 ZINC000128970834 591199394 /nfs/dbraw/zinc/19/93/94/591199394.db2.gz VAWSBZUAJFJZNW-SECBINFHSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@]2(C)CC2(C)C)c1C ZINC000881542199 591235823 /nfs/dbraw/zinc/23/58/23/591235823.db2.gz LPMMLUNRAPZCRP-CYBMUJFWSA-N 0 1 235.331 2.193 20 0 BEADMN C=C/C=C/CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000881564940 591240187 /nfs/dbraw/zinc/24/01/87/591240187.db2.gz FRQALHGIMLWJOI-PGLGOXFNSA-N 0 1 245.326 2.078 20 0 BEADMN Cc1cc(C[C@H](C)Nc2nc(C)cnc2C)[nH]n1 ZINC000882110132 591299390 /nfs/dbraw/zinc/29/93/90/591299390.db2.gz PAOSUDAHNOETED-QMMMGPOBSA-N 0 1 245.330 2.168 20 0 BEADMN CC1(C)CCC[C@@H](CSc2cn[nH]n2)O1 ZINC000882138348 591304471 /nfs/dbraw/zinc/30/44/71/591304471.db2.gz GVTBTZJUJYPIMU-QMMMGPOBSA-N 0 1 227.333 2.245 20 0 BEADMN CCC[C@@H](C)CC(=O)NC[C@@H]1CCN1CC ZINC000882485037 591361352 /nfs/dbraw/zinc/36/13/52/591361352.db2.gz FCLSPTAAGRUMGM-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC000882487402 591363012 /nfs/dbraw/zinc/36/30/12/591363012.db2.gz DYMCNESPGOMVSR-WCQYABFASA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000882487650 591365015 /nfs/dbraw/zinc/36/50/15/591365015.db2.gz YGNPQGIEYPVMAX-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1C ZINC000882489562 591365843 /nfs/dbraw/zinc/36/58/43/591365843.db2.gz DLYYHRMDPZNFAD-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC1(C(=O)NC[C@@H]2CCN2CC)CCC1 ZINC000882489217 591366356 /nfs/dbraw/zinc/36/63/56/591366356.db2.gz OPZPYNVHBPGYAF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000882489911 591367652 /nfs/dbraw/zinc/36/76/52/591367652.db2.gz HARPPQVNJULZKJ-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1C ZINC000129810271 591410389 /nfs/dbraw/zinc/41/03/89/591410389.db2.gz AGROVDGSRUJHKK-ZCFIWIBFSA-N 0 1 223.663 2.094 20 0 BEADMN Cc1ccc([C@H](C)NCc2n[nH]c(C)n2)s1 ZINC000129828871 591412499 /nfs/dbraw/zinc/41/24/99/591412499.db2.gz WTVVTLNVASFGSD-QMMMGPOBSA-N 0 1 236.344 2.334 20 0 BEADMN CCCCC(N)=NOCC[C@H](O)C(C)C ZINC000882960686 591485416 /nfs/dbraw/zinc/48/54/16/591485416.db2.gz SKLLZRSQKSPUST-JTQLQIEISA-N 0 1 216.325 2.082 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1nc(C(C)C)c[nH]1 ZINC000882994145 591499175 /nfs/dbraw/zinc/49/91/75/591499175.db2.gz UIWAPMMAYSEXEZ-CMPLNLGQSA-N 0 1 239.363 2.030 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2c(C)noc2C)no1 ZINC000883015977 591515006 /nfs/dbraw/zinc/51/50/06/591515006.db2.gz KFNIQFIHYBZASY-QMMMGPOBSA-N 0 1 249.314 2.309 20 0 BEADMN CC(C)c1c[nH]c(CN[C@]2(C)CCO[C@@H]2C)n1 ZINC000883087243 591537500 /nfs/dbraw/zinc/53/75/00/591537500.db2.gz RGPRSGRLUMGBGN-ZWNOBZJWSA-N 0 1 237.347 2.190 20 0 BEADMN CC(C)c1c[nH]c(CN[C@]2(C)CCCOC2)n1 ZINC000883081427 591537613 /nfs/dbraw/zinc/53/76/13/591537613.db2.gz DOGLCEJFMMZEGK-CYBMUJFWSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)OCCNCc1nc(C(C)C)c[nH]1 ZINC000883087756 591538705 /nfs/dbraw/zinc/53/87/05/591538705.db2.gz HOUTYEAIWJVIJH-UHFFFAOYSA-N 0 1 225.336 2.048 20 0 BEADMN COCC1(NCc2nc(C(C)C)c[nH]2)CCC1 ZINC000883113939 591541753 /nfs/dbraw/zinc/54/17/53/591541753.db2.gz HODGGVDLXHUEPX-UHFFFAOYSA-N 0 1 237.347 2.192 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000883190466 591567923 /nfs/dbraw/zinc/56/79/23/591567923.db2.gz DIRYZNMYIXFREV-WCQYABFASA-N 0 1 249.358 2.190 20 0 BEADMN C[C@@H](NC[C@H]1CCC(C)(C)CO1)c1ncc[nH]1 ZINC000883249539 591591564 /nfs/dbraw/zinc/59/15/64/591591564.db2.gz JLRQKAPSFNDSIJ-GHMZBOCLSA-N 0 1 237.347 2.266 20 0 BEADMN Cc1ccc(CN[C@H]2CCO[C@@H]2C)c(Cl)n1 ZINC000883292858 591609307 /nfs/dbraw/zinc/60/93/07/591609307.db2.gz BXBGFONYQPBCJL-KOLCDFICSA-N 0 1 240.734 2.310 20 0 BEADMN O=C(CN1CCCCCC1)Nc1ccc(O)cc1 ZINC000027269427 591609569 /nfs/dbraw/zinc/60/95/69/591609569.db2.gz WYODQELALJUILJ-UHFFFAOYSA-N 0 1 248.326 2.207 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000027342079 591614044 /nfs/dbraw/zinc/61/40/44/591614044.db2.gz GZYRAQKVDOUDET-LLVKDONJSA-N 0 1 248.326 2.063 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ncc[nH]1 ZINC000883357339 591627792 /nfs/dbraw/zinc/62/77/92/591627792.db2.gz JKBOXFBEKNWDIJ-MNOVXSKESA-N 0 1 235.331 2.162 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1ccsc1)C(=O)[O-] ZINC000214595334 591634755 /nfs/dbraw/zinc/63/47/55/591634755.db2.gz CJPFAHMAKWTNHF-YCRREMRBSA-N 0 1 225.313 2.211 20 0 BEADMN CC[C@H]1CCC[N@@H+](C/C=C(\C)C(=O)[O-])C1 ZINC000214595859 591635707 /nfs/dbraw/zinc/63/57/07/591635707.db2.gz SUDMMQCOOAZPSY-RUYJGKKWSA-N 0 1 211.305 2.139 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883404912 591650346 /nfs/dbraw/zinc/65/03/46/591650346.db2.gz SXAJFDBCBACZIB-UWVGGRQHSA-N 0 1 247.285 2.361 20 0 BEADMN C[N@H+](CCC(=O)[O-])CC[C@H]1CCCC1(F)F ZINC000883405032 591650455 /nfs/dbraw/zinc/65/04/55/591650455.db2.gz YEMHKROCGLEHMU-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000131900455 591675705 /nfs/dbraw/zinc/67/57/05/591675705.db2.gz FMHQXOKXVREPFZ-BDAKNGLRSA-N 0 1 228.723 2.421 20 0 BEADMN CCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000132513665 591715289 /nfs/dbraw/zinc/71/52/89/591715289.db2.gz MRHOQNBLVPCIBU-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1occc1-c1noc([C@H]2CCCCN2)n1 ZINC000132549482 591718549 /nfs/dbraw/zinc/71/85/49/591718549.db2.gz MLPLAMHLAJZZSF-SNVBAGLBSA-N 0 1 233.271 2.453 20 0 BEADMN CCCC[N@@H+](C/C=C(\C)C(=O)[O-])C1CC1 ZINC000214732867 591781862 /nfs/dbraw/zinc/78/18/62/591781862.db2.gz UDVMWVXKDZKVAQ-JXMROGBWSA-N 0 1 211.305 2.282 20 0 BEADMN CCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000884002747 591792006 /nfs/dbraw/zinc/79/20/06/591792006.db2.gz YIUCWIUTXKTILE-AAEUAGOBSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1cc(CN2CCC3(C2)CCCCC3)nn1 ZINC000884003429 591793022 /nfs/dbraw/zinc/79/30/22/591793022.db2.gz RYXYOMQGJJDQOD-UHFFFAOYSA-N 0 1 248.374 2.454 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1cn(CC)nn1 ZINC000884004135 591793141 /nfs/dbraw/zinc/79/31/41/591793141.db2.gz IPYNUXLADDODLJ-LLVKDONJSA-N 0 1 224.352 2.166 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)N1CCN[C@H](C)C1 ZINC000884031072 591814654 /nfs/dbraw/zinc/81/46/54/591814654.db2.gz FUDWKRDRQZAHAV-BZPMIXESSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCC[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000215232575 591932372 /nfs/dbraw/zinc/93/23/72/591932372.db2.gz WOEARRUHBDLBFP-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN Fc1cccnc1CN[C@H]1CCCSC1 ZINC000134815901 591951819 /nfs/dbraw/zinc/95/18/19/591951819.db2.gz VZQHWXXXHKGAKO-VIFPVBQESA-N 0 1 226.320 2.206 20 0 BEADMN O=C(c1ccn[nH]1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885227770 592060233 /nfs/dbraw/zinc/06/02/33/592060233.db2.gz UBXNOPTVWMQKQF-DGCLKSJQSA-N 0 1 245.326 2.060 20 0 BEADMN CC(C)COC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885259685 592061123 /nfs/dbraw/zinc/06/11/23/592061123.db2.gz ARICJOQZBDMDOJ-BXKDBHETSA-N 0 1 236.315 2.275 20 0 BEADMN CC[C@H](C)OC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885261012 592061621 /nfs/dbraw/zinc/06/16/21/592061621.db2.gz HUUOYZGSNTXZIQ-PTRXPTGYSA-N 0 1 236.315 2.417 20 0 BEADMN Cc1occc1CN(C)C[C@](C)(O)C(F)F ZINC000885965254 592117076 /nfs/dbraw/zinc/11/70/76/592117076.db2.gz KESNIIFVEVIPAX-NSHDSACASA-N 0 1 233.258 2.036 20 0 BEADMN CC1(C)COCCN1C[C@H]1CC[C@H](C2CC2)O1 ZINC000885964453 592117100 /nfs/dbraw/zinc/11/71/00/592117100.db2.gz AOMBHEMWHBOLSE-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN Cc1coc(CNCC[S@](=O)C(C)(C)C)c1 ZINC000885990704 592123536 /nfs/dbraw/zinc/12/35/36/592123536.db2.gz NQBJTBJSQLMQQI-INIZCTEOSA-N 0 1 243.372 2.225 20 0 BEADMN Cc1coc(CNCC[N@@H+]2CCC[C@H]2C)c1 ZINC000886003885 592127410 /nfs/dbraw/zinc/12/74/10/592127410.db2.gz MRGYVIGQNFNRFP-GFCCVEGCSA-N 0 1 222.332 2.162 20 0 BEADMN Cc1[nH]nc(CNc2ccc(C)nc2)c1C ZINC000886025013 592134707 /nfs/dbraw/zinc/13/47/07/592134707.db2.gz BQBOCCKZXWIJDM-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN Cc1n[nH]c(CN[C@H](C)c2ccc[nH]2)c1C ZINC000886049076 592139816 /nfs/dbraw/zinc/13/98/16/592139816.db2.gz FRJRFLZFNCRIQG-SNVBAGLBSA-N 0 1 218.304 2.205 20 0 BEADMN Cc1[nH]nc(CNc2cccc3c2OCO3)c1C ZINC000886059695 592141725 /nfs/dbraw/zinc/14/17/25/592141725.db2.gz KLUMOGPFOVTOAK-UHFFFAOYSA-N 0 1 245.282 2.367 20 0 BEADMN COC(=O)C(C)(C)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886065627 592142358 /nfs/dbraw/zinc/14/23/58/592142358.db2.gz UTOSQYOURLBHMT-NEPJUHHUSA-N 0 1 239.359 2.306 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886064437 592142514 /nfs/dbraw/zinc/14/25/14/592142514.db2.gz DSOWKGWNUBQVEV-UHTWSYAYSA-N 0 1 239.359 2.306 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886073310 592144468 /nfs/dbraw/zinc/14/44/68/592144468.db2.gz SPNUPDZDIARKGZ-ZDUSSCGKSA-N 0 1 249.358 2.191 20 0 BEADMN CCCc1ncc(CNCc2n[nH]c(C)c2C)o1 ZINC000886136190 592161086 /nfs/dbraw/zinc/16/10/86/592161086.db2.gz HYUDVGYFIIXJAN-UHFFFAOYSA-N 0 1 248.330 2.257 20 0 BEADMN Cc1n[nH]c(CNCc2cnc(C)cc2C)c1C ZINC000886138873 592161901 /nfs/dbraw/zinc/16/19/01/592161901.db2.gz WLCVUKYAJOVCGM-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN Cc1n[nH]c(CNCc2cccnc2C)c1C ZINC000886170150 592168600 /nfs/dbraw/zinc/16/86/00/592168600.db2.gz QHIWQAXFWOMJAN-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN FC(F)(F)SCCN1C[C@@H]2C[C@H]1CS2 ZINC000886242967 592183519 /nfs/dbraw/zinc/18/35/19/592183519.db2.gz KJJODJYVRVIOGW-BQBZGAKWSA-N 0 1 243.319 2.429 20 0 BEADMN CC[N@@H+](Cc1occc1C)C[C@@](C)(O)C(F)F ZINC000886247288 592185401 /nfs/dbraw/zinc/18/54/01/592185401.db2.gz MRPRGLOOFRJZOI-GFCCVEGCSA-N 0 1 247.285 2.426 20 0 BEADMN CCN(Cc1occc1C)C[C@@](C)(O)C(F)F ZINC000886247288 592185402 /nfs/dbraw/zinc/18/54/02/592185402.db2.gz MRPRGLOOFRJZOI-GFCCVEGCSA-N 0 1 247.285 2.426 20 0 BEADMN CC[C@@H]1C[C@H](N[C@@H](C)c2ncco2)CCO1 ZINC000886272354 592192461 /nfs/dbraw/zinc/19/24/61/592192461.db2.gz NUIVLKAASAOVHY-HBNTYKKESA-N 0 1 224.304 2.283 20 0 BEADMN C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ncco1 ZINC000886272457 592192848 /nfs/dbraw/zinc/19/28/48/592192848.db2.gz QHJXOOWPASFNKM-GHMZBOCLSA-N 0 1 236.315 2.427 20 0 BEADMN C[C@H](NC[C@H]1CCO[C@H](C)C1)c1ncco1 ZINC000886274647 592194769 /nfs/dbraw/zinc/19/47/69/592194769.db2.gz YAPLPVATHYCDGO-VWYCJHECSA-N 0 1 224.304 2.140 20 0 BEADMN Fc1cc(CN2C[C@@H]3C[C@@H]3C2)c2c(c1)COCO2 ZINC000886327038 592209589 /nfs/dbraw/zinc/20/95/89/592209589.db2.gz ZSRZWEJSRGHOTR-AOOOYVTPSA-N 0 1 249.285 2.144 20 0 BEADMN C[C@@H](N[C@@H](C)Cc1ccncc1)c1ncco1 ZINC000886538664 592252352 /nfs/dbraw/zinc/25/23/52/592252352.db2.gz MADBHEDCVREKSJ-WDEREUQCSA-N 0 1 231.299 2.351 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H]1CCc2cccnc21 ZINC000886641650 592287432 /nfs/dbraw/zinc/28/74/32/592287432.db2.gz OLQCDGAOZMHJCP-SCRDCRAPSA-N 0 1 232.327 2.226 20 0 BEADMN C[C@@H](C(=O)Nc1cccnc1)N1CCCCCC1 ZINC000074165965 592305552 /nfs/dbraw/zinc/30/55/52/592305552.db2.gz UASXEEUPOOTZSD-LBPRGKRZSA-N 0 1 247.342 2.285 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ncc[nH]1 ZINC000886730848 592314010 /nfs/dbraw/zinc/31/40/10/592314010.db2.gz NIFUGKOCIBWHDI-NWDGAFQWSA-N 0 1 249.358 2.410 20 0 BEADMN Cc1nc(CN2CC[C@@H]([C@@H]3CCCO3)C2)[nH]c1C ZINC000886815393 592334914 /nfs/dbraw/zinc/33/49/14/592334914.db2.gz CXBYJKPPNRDFJJ-OLZOCXBDSA-N 0 1 249.358 2.027 20 0 BEADMN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ncc[nH]1 ZINC000139049545 592353465 /nfs/dbraw/zinc/35/34/65/592353465.db2.gz SUJQWFHDHWAXPB-RNCFNFMXSA-N 0 1 242.326 2.330 20 0 BEADMN CN(CCCF)Cc1cn(C)nc1C(F)F ZINC000887141362 592456318 /nfs/dbraw/zinc/45/63/18/592456318.db2.gz PVRYSALNSWOFHW-UHFFFAOYSA-N 0 1 235.253 2.149 20 0 BEADMN CC(C)c1cc(=O)n([C@@H]2CCCSC2)[nH]1 ZINC000887297046 592478068 /nfs/dbraw/zinc/47/80/68/592478068.db2.gz RRNIMAKRWOYZFU-SECBINFHSA-N 0 1 226.345 2.126 20 0 BEADMN CC1=NN([C@H]2CC(C)(C)OC2(C)C)C(=O)[C@H]1C ZINC000887296480 592478509 /nfs/dbraw/zinc/47/85/09/592478509.db2.gz CWZBLRPAXPJPIB-WPRPVWTQSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1[nH]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1C ZINC000887296480 592478510 /nfs/dbraw/zinc/47/85/10/592478510.db2.gz CWZBLRPAXPJPIB-WPRPVWTQSA-N 0 1 238.331 2.187 20 0 BEADMN Cc1cn[nH]c1C[S@@](=O)Cc1ccccc1C ZINC000887374726 592496661 /nfs/dbraw/zinc/49/66/61/592496661.db2.gz SZLWAQRBZCZAIW-KRWDZBQOSA-N 0 1 248.351 2.475 20 0 BEADMN CCn1cc(CN2CC[C@@H](C(C)(C)C)C2)nn1 ZINC000887546159 592522089 /nfs/dbraw/zinc/52/20/89/592522089.db2.gz DNCVINYYPXNDGG-LLVKDONJSA-N 0 1 236.363 2.166 20 0 BEADMN CC(C)C1(O)CN(C[C@H]2CCC(F)(F)C2)C1 ZINC000301015668 592527210 /nfs/dbraw/zinc/52/72/10/592527210.db2.gz YNBDHXXAERJQMG-JTQLQIEISA-N 0 1 233.302 2.125 20 0 BEADMN O=C(Cc1cnc[nH]1)NC[C@H]1CCC=CCCC1 ZINC000890047232 592671071 /nfs/dbraw/zinc/67/10/71/592671071.db2.gz MKKPJRDEOOYRPW-LBPRGKRZSA-N 0 1 247.342 2.205 20 0 BEADMN CCOc1ccccc1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000032104346 601463402 /nfs/dbraw/zinc/46/34/02/601463402.db2.gz KNWDCQBSGJNADZ-UHFFFAOYSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)=CC[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000738759969 602263879 /nfs/dbraw/zinc/26/38/79/602263879.db2.gz NMUJMMCHKLUPMZ-RYUDHWBXSA-N 0 1 240.347 2.463 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[O-])C1 ZINC000739076306 602668602 /nfs/dbraw/zinc/66/86/02/602668602.db2.gz APPLRBSBLOCCFC-AOOOYVTPSA-N 0 1 228.336 2.011 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251761046 597072709 /nfs/dbraw/zinc/07/27/09/597072709.db2.gz DPAZYZOGYPLOPC-KKZNHRDASA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251761046 597072711 /nfs/dbraw/zinc/07/27/11/597072711.db2.gz DPAZYZOGYPLOPC-KKZNHRDASA-N 0 1 237.299 2.308 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccs1)C1CC1 ZINC000042516188 597072970 /nfs/dbraw/zinc/07/29/70/597072970.db2.gz XZSAUTQNNRGKAX-MRVPVSSYSA-N 0 1 225.313 2.186 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccsc1)C1CC1 ZINC000042469004 597073047 /nfs/dbraw/zinc/07/30/47/597073047.db2.gz FWWFUEHEFDPGEV-QMMMGPOBSA-N 0 1 225.313 2.186 20 0 BEADMN CC(C)[C@H]1CCC[N@H+]1CCCCC(=O)[O-] ZINC000084126490 597771202 /nfs/dbraw/zinc/77/12/02/597771202.db2.gz FLBPZECIZPQOHA-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000738571433 597779433 /nfs/dbraw/zinc/77/94/33/597779433.db2.gz ZZXSJYAZKAKLOA-NSHDSACASA-N 0 1 237.299 2.324 20 0 BEADMN Cc1cccc(C[N@@H+](C)CCCCC(=O)[O-])n1 ZINC000094919893 597795513 /nfs/dbraw/zinc/79/55/13/597795513.db2.gz JRNKKUCHRKTCRO-UHFFFAOYSA-N 0 1 236.315 2.077 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCCCC(=O)[O-] ZINC000719391635 597801469 /nfs/dbraw/zinc/80/14/69/597801469.db2.gz AOUQQEVHAMTWMJ-NSHDSACASA-N 0 1 236.315 2.329 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@H]1CC=CCC1 ZINC000380066987 598120752 /nfs/dbraw/zinc/12/07/52/598120752.db2.gz CCHOOUXSTXAXGL-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000234291171 598126866 /nfs/dbraw/zinc/12/68/66/598126866.db2.gz KGCYNZXWKWQSSC-UHFFFAOYSA-N 0 1 247.216 2.010 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000086789772 598128974 /nfs/dbraw/zinc/12/89/74/598128974.db2.gz YYELPQQNMHWQFI-NSHDSACASA-N 0 1 237.274 2.041 20 0 BEADMN Cc1cc(C[N@H+](C)[C@@H](C)C(=O)[O-])ccc1F ZINC000083406789 598130875 /nfs/dbraw/zinc/13/08/75/598130875.db2.gz VQSNIOHIFCVRER-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN Cc1cc(C[N@H+](C)[C@H](C)C(=O)[O-])ccc1F ZINC000083406791 598130996 /nfs/dbraw/zinc/13/09/96/598130996.db2.gz VQSNIOHIFCVRER-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN Cc1cccnc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000161045435 598161784 /nfs/dbraw/zinc/16/17/84/598161784.db2.gz WSMQXTVKIMQOGW-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN CC[C@H]1CCC[N@@H+](C/C=C(/C)C(=O)[O-])C1 ZINC000084002458 601156204 /nfs/dbraw/zinc/15/62/04/601156204.db2.gz SUDMMQCOOAZPSY-YAEJEKNGSA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H]1C[N@@H+](CCC(=O)[O-])[C@H]1c1ccccc1 ZINC000309699208 601221044 /nfs/dbraw/zinc/22/10/44/601221044.db2.gz SGECEKVIDGYQDK-GXFFZTMASA-N 0 1 219.284 2.154 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])co1)CC(C)(C)C ZINC000051330720 599993398 /nfs/dbraw/zinc/99/33/98/599993398.db2.gz GRVOCLAHIMZFML-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN C[N@@H+](CCc1cccs1)C(C)(C)C(=O)[O-] ZINC000082602655 600136965 /nfs/dbraw/zinc/13/69/65/600136965.db2.gz QIKMZPHPEBSIIR-UHFFFAOYSA-N 0 1 227.329 2.086 20 0 BEADMN CCC[C@](C)([NH2+]CC(F)(F)C(F)F)C(=O)[O-] ZINC000309132883 600261708 /nfs/dbraw/zinc/26/17/08/600261708.db2.gz JGFORRZOTUDTKV-QMMMGPOBSA-N 0 1 245.216 2.120 20 0 BEADMN C[N@@H+](Cc1cc(F)ccc1F)C(C)(C)C(=O)[O-] ZINC000061171693 600306572 /nfs/dbraw/zinc/30/65/72/600306572.db2.gz XHTBMZIKSLVDSO-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN C[C@H]1c2c(F)cccc2CC[N@@H+]1CCC(=O)[O-] ZINC000299752818 600471710 /nfs/dbraw/zinc/47/17/10/600471710.db2.gz VOMZTQHXSHKWJL-VIFPVBQESA-N 0 1 237.274 2.220 20 0 BEADMN CC(C)[N@@H+](CCC(C)(C)C)CC(=O)[O-] ZINC000037995114 600540032 /nfs/dbraw/zinc/54/00/32/600540032.db2.gz PMTQALASEWCAQU-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccnc1Cl ZINC000184904131 600740131 /nfs/dbraw/zinc/74/01/31/600740131.db2.gz DXZDMJBUBAQSTK-UHFFFAOYSA-N 0 1 242.706 2.032 20 0 BEADMN CCCCCC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035296634 600843153 /nfs/dbraw/zinc/84/31/53/600843153.db2.gz MANFRRNHOVAQTR-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN COc1ccccc1C[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000088630472 601153278 /nfs/dbraw/zinc/15/32/78/601153278.db2.gz MQFHXKBGZFFJGQ-FLIBITNWSA-N 0 1 249.310 2.158 20 0 BEADMN CCC[N@@H+](C/C=C(\C)C(=O)[O-])CC1CC1 ZINC000214726186 601167446 /nfs/dbraw/zinc/16/74/46/601167446.db2.gz YIHQAMBTRDVFKM-UXBLZVDNSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C/C[N@@H+]1CCCCC[C@H]1C)C(=O)[O-] ZINC000084003164 601167778 /nfs/dbraw/zinc/16/77/78/601167778.db2.gz LHIKVUCKUQGWAM-ZJRUKIMVSA-N 0 1 211.305 2.282 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000084003194 601176139 /nfs/dbraw/zinc/17/61/39/601176139.db2.gz HNGCZKMBSLFCMZ-SKWDFFSCSA-N 0 1 223.316 2.282 20 0 BEADMN CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)[O-] ZINC000236788000 601382536 /nfs/dbraw/zinc/38/25/36/601382536.db2.gz BPPLFUWGKHIZRE-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@@H]1C ZINC000380634018 601450927 /nfs/dbraw/zinc/45/09/27/601450927.db2.gz LHTQTFBKWJFAHO-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000251848933 601500612 /nfs/dbraw/zinc/50/06/12/601500612.db2.gz RFYDUIVUFJZDRS-CMPLNLGQSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000082557816 601504365 /nfs/dbraw/zinc/50/43/65/601504365.db2.gz OCMLZOBHUQXCKK-ZJUUUORDSA-N 0 1 213.321 2.075 20 0 BEADMN CCC(C)(C)CC[N@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000696712381 601515350 /nfs/dbraw/zinc/51/53/50/601515350.db2.gz NCOUHQLWQLQHNS-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1[nH+]ccn1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235800681 601616472 /nfs/dbraw/zinc/61/64/72/601616472.db2.gz BXGZILWPZUBMGS-UHFFFAOYSA-N 0 1 234.230 2.077 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000706928541 601828522 /nfs/dbraw/zinc/82/85/22/601828522.db2.gz MPZPZMJMQAGFAX-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN Cc1[nH+]cn(Cc2ccc(C(=O)[O-])s2)c1C ZINC000071026241 601948944 /nfs/dbraw/zinc/94/89/44/601948944.db2.gz JCDMBZJOXXXNOF-UHFFFAOYSA-N 0 1 236.296 2.308 20 0 BEADMN CCCCCC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936490 601916526 /nfs/dbraw/zinc/91/65/26/601916526.db2.gz TYANADHUCUTOIO-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN CCCCCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000062936491 601916912 /nfs/dbraw/zinc/91/69/12/601916912.db2.gz TYANADHUCUTOIO-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738817815 601968965 /nfs/dbraw/zinc/96/89/65/601968965.db2.gz FVPZGOBIJUBSFG-NSHDSACASA-N 0 1 228.336 2.107 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000706954567 602206896 /nfs/dbraw/zinc/20/68/96/602206896.db2.gz ALQXFMRDFWCMTO-HBNTYKKESA-N 0 1 211.305 2.114 20 0 BEADMN CCCC[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739331404 602275632 /nfs/dbraw/zinc/27/56/32/602275632.db2.gz AQMQYFCXDZERQZ-WDEREUQCSA-N 0 1 228.336 2.297 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739235379 602527605 /nfs/dbraw/zinc/52/76/05/602527605.db2.gz JHFHPQZEOIGXLU-JTQLQIEISA-N 0 1 228.336 2.107 20 0 BEADMN CCC[N@@H+](CC=C(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358987 602545767 /nfs/dbraw/zinc/54/57/67/602545767.db2.gz SZGPDKWFVFFRGO-GFCCVEGCSA-N 0 1 240.347 2.417 20 0 BEADMN CN(C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1)C(=O)[O-] ZINC000739659730 602679509 /nfs/dbraw/zinc/67/95/09/602679509.db2.gz KMOXHYLYNHJLTQ-NEPJUHHUSA-N 0 1 238.331 2.027 20 0 BEADMN CN(C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1)C(=O)[O-] ZINC000739659733 602679608 /nfs/dbraw/zinc/67/96/08/602679608.db2.gz KMOXHYLYNHJLTQ-NWDGAFQWSA-N 0 1 238.331 2.027 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738766835 602701932 /nfs/dbraw/zinc/70/19/32/602701932.db2.gz NPIWVONAZOCNCX-VXGBXAGGSA-N 0 1 242.363 2.353 20 0 BEADMN C[N@@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C1CCCC1 ZINC000739637362 602702410 /nfs/dbraw/zinc/70/24/10/602702410.db2.gz KADXJGSCVIJVPS-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN CC1(C)CCC[N@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739065646 602705492 /nfs/dbraw/zinc/70/54/92/602705492.db2.gz PQWAHGVQIJUYMM-LLVKDONJSA-N 0 1 240.347 2.251 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000739584618 602737789 /nfs/dbraw/zinc/73/77/89/602737789.db2.gz LNQWDGYDIBOWGG-LLVKDONJSA-N 0 1 242.363 2.497 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739175710 602772413 /nfs/dbraw/zinc/77/24/13/602772413.db2.gz KMCQYFCWFFSDPT-UTUOFQBUSA-N 0 1 238.331 2.073 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739177770 602829157 /nfs/dbraw/zinc/82/91/57/602829157.db2.gz PEXODMCMRRLBGC-GRYCIOLGSA-N 0 1 238.331 2.168 20 0 BEADMN CC[N@@H+](CC(C)C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739402626 602936434 /nfs/dbraw/zinc/93/64/34/602936434.db2.gz KGNIBZRDPDQXMH-LBPRGKRZSA-N 0 1 242.363 2.354 20 0 BEADMN CC[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739402624 602936908 /nfs/dbraw/zinc/93/69/08/602936908.db2.gz KGNIBZRDPDQXMH-GFCCVEGCSA-N 0 1 242.363 2.354 20 0 BEADMN Cc1cccc([C@@H]2CCC[N@H+]2CCNC(=O)[O-])c1 ZINC000740165474 603084481 /nfs/dbraw/zinc/08/44/81/603084481.db2.gz GLXGBVDLWMRORE-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000738937738 603237170 /nfs/dbraw/zinc/23/71/70/603237170.db2.gz FOJPQVSRYAEDKH-PWWFUAJNSA-N 0 1 248.326 2.288 20 0 BEADMN Cc1ccccc1C[N@@H+](C)CCCNC(=O)[O-] ZINC000740183646 603250376 /nfs/dbraw/zinc/25/03/76/603250376.db2.gz MGEBLPCDEUAEKQ-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN CC(C)[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738836317 603324625 /nfs/dbraw/zinc/32/46/25/603324625.db2.gz IJLUAFPVBOZVPB-GFCCVEGCSA-N 0 1 240.347 2.107 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738800187 603328231 /nfs/dbraw/zinc/32/82/31/603328231.db2.gz GHEOGRJEZKECMK-RYUDHWBXSA-N 0 1 240.347 2.107 20 0 BEADMN CCCCCC[N@@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000739333275 603410532 /nfs/dbraw/zinc/41/05/32/603410532.db2.gz WKMUISSLJWBRBB-JTQLQIEISA-N 0 1 216.325 2.155 20 0 BEADMN C[N@@H+](CC(C)(C)CNC(=O)[O-])[C@H]1C=CCCC1 ZINC000828155021 603547026 /nfs/dbraw/zinc/54/70/26/603547026.db2.gz SLFSASYIOFBREP-NSHDSACASA-N 0 1 240.347 2.321 20 0 BEADMN CN(C[C@@H]1CCC[N@@H+](CCC2CC2)C1)C(=O)[O-] ZINC000828180791 604040132 /nfs/dbraw/zinc/04/01/32/604040132.db2.gz MLIGBLODWLFGPB-LBPRGKRZSA-N 0 1 240.347 2.108 20 0 BEADMN CN(C[C@H]1CCC[N@@H+](CCC2CC2)C1)C(=O)[O-] ZINC000828180790 604040269 /nfs/dbraw/zinc/04/02/69/604040269.db2.gz MLIGBLODWLFGPB-GFCCVEGCSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000738915351 604380575 /nfs/dbraw/zinc/38/05/75/604380575.db2.gz VJCFVWLNQXFKRM-DGCLKSJQSA-N 0 1 248.326 2.132 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccccc1C1CC1 ZINC000087015662 604540967 /nfs/dbraw/zinc/54/09/67/604540967.db2.gz NZVIDBJPDIAHLI-UHFFFAOYSA-N 0 1 219.284 2.080 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000226444803 604542634 /nfs/dbraw/zinc/54/26/34/604542634.db2.gz IHXDVMSVEGKIBF-CKYFFXLPSA-N 0 1 249.310 2.310 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402195266 604673393 /nfs/dbraw/zinc/67/33/93/604673393.db2.gz HQPPPERHQAGNBR-YPMHNXCESA-N 0 1 223.316 2.139 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000086779337 604676288 /nfs/dbraw/zinc/67/62/88/604676288.db2.gz OKZGJWZOGDAYLF-CYBMUJFWSA-N 0 1 237.299 2.139 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)c1ccncc1)C(=O)[O-] ZINC000383675179 604718904 /nfs/dbraw/zinc/71/89/04/604718904.db2.gz XFLBXOAOEKXMSF-CDCCAWJDSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)c1ccncc1)C(=O)[O-] ZINC000383675181 604718892 /nfs/dbraw/zinc/71/88/92/604718892.db2.gz XFLBXOAOEKXMSF-SDKXAQGSSA-N 0 1 234.299 2.105 20 0 BEADMN CC(C)(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000230270508 605426912 /nfs/dbraw/zinc/42/69/12/605426912.db2.gz LJZOBZZHKHMNSM-GHMZBOCLSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740067800 605910639 /nfs/dbraw/zinc/91/06/39/605910639.db2.gz UOOZSINSIOQMML-ZDUSSCGKSA-N 0 1 248.326 2.145 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739057857 605916101 /nfs/dbraw/zinc/91/61/01/605916101.db2.gz JHBPLLIPGPVSBR-PWSUYJOCSA-N 0 1 234.299 2.090 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740118555 605916299 /nfs/dbraw/zinc/91/62/99/605916299.db2.gz WGOCLLWETFAAFN-ZDUSSCGKSA-N 0 1 248.326 2.145 20 0 BEADMN Cc1[nH+]c(N(C)[C@@H](C)C2CC2)ccc1C(=O)[O-] ZINC000124177513 634396956 /nfs/dbraw/zinc/39/69/56/634396956.db2.gz JEPYOTWGPHACMR-VIFPVBQESA-N 0 1 234.299 2.323 20 0 BEADMN Cc1[nH+]c(N2C[C@H](C)[C@@H](C)C2)ccc1C(=O)[O-] ZINC000124317192 634410570 /nfs/dbraw/zinc/41/05/70/634410570.db2.gz ODRNGFFIISGRSV-IUCAKERBSA-N 0 1 234.299 2.180 20 0 BEADMN Cc1ccc(CN[C@H]2CCCc3n[nH]cc32)cn1 ZINC000334391250 634458672 /nfs/dbraw/zinc/45/86/72/634458672.db2.gz VBRUYHYKCOMSSH-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1ncsc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000335889869 634535607 /nfs/dbraw/zinc/53/56/07/634535607.db2.gz NUNNXHHYHHDNSM-SNVBAGLBSA-N 0 1 248.355 2.342 20 0 BEADMN CNCc1nc(-c2ccc(Cl)s2)no1 ZINC000258028265 634546968 /nfs/dbraw/zinc/54/69/68/634546968.db2.gz NSQFROXLLASCET-UHFFFAOYSA-N 0 1 229.692 2.171 20 0 BEADMN CO[C@@H]1CCCN(Cc2nccn2C2CC2)CC1 ZINC000893512922 634550935 /nfs/dbraw/zinc/55/09/35/634550935.db2.gz ZHPLAHDUPDACGA-CYBMUJFWSA-N 0 1 249.358 2.219 20 0 BEADMN CC(=O)C1CCN(Cc2cncc(C)c2)CC1 ZINC000228692614 635462032 /nfs/dbraw/zinc/46/20/32/635462032.db2.gz DCVQJXIQURIZST-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000233276780 635527444 /nfs/dbraw/zinc/52/74/44/635527444.db2.gz SEEMATQNNIPVQU-SNVBAGLBSA-N 0 1 236.315 2.400 20 0 BEADMN Cc1cc(C[NH2+]Cc2ccoc2)oc1C(=O)[O-] ZINC000235837641 635586248 /nfs/dbraw/zinc/58/62/48/635586248.db2.gz HXGLXUPGHCEZKM-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1oc(C[NH2+]Cc2ccoc2)cc1C(=O)[O-] ZINC000235974235 635593487 /nfs/dbraw/zinc/59/34/87/635593487.db2.gz ICEHTGFKFZPXQP-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1noc(C)c1CN[C@]12C[C@H]1COC21CCC1 ZINC000933387934 631351440 /nfs/dbraw/zinc/35/14/40/631351440.db2.gz CXCVVCKIOFIQSP-SMDDNHRTSA-N 0 1 248.326 2.093 20 0 BEADMN C[C@H](CCC1CC1)N[C@H](C)c1cc(CO)on1 ZINC000926196456 631395975 /nfs/dbraw/zinc/39/59/75/631395975.db2.gz PCHPIUYJEYHROG-NXEZZACHSA-N 0 1 238.331 2.396 20 0 BEADMN CN(Cc1cnn(CC2CCC2)c1)C1CC1 ZINC000891620172 631414870 /nfs/dbraw/zinc/41/48/70/631414870.db2.gz QHLMINFJPBAWNN-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CO[C@@H]1CCCN(Cc2cnc(F)cc2C)C1 ZINC000891690992 631447229 /nfs/dbraw/zinc/44/72/29/631447229.db2.gz DYJPCFDQCWERTQ-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN CCc1cc(N[C@@H]2CCC[C@@H]2C(=O)[O-])nc(C)[nH+]1 ZINC000088759903 631492519 /nfs/dbraw/zinc/49/25/19/631492519.db2.gz VOELWSYPTWCFHG-WDEREUQCSA-N 0 1 249.314 2.013 20 0 BEADMN CC(C)=CCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000926266259 631529664 /nfs/dbraw/zinc/52/96/64/631529664.db2.gz SDRJJUIGUXKVFZ-QWRGUYRKSA-N 0 1 220.320 2.230 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000247516762 631560742 /nfs/dbraw/zinc/56/07/42/631560742.db2.gz ZNTZLPBUMBNZRP-VXGBXAGGSA-N 0 1 224.348 2.077 20 0 BEADMN O=C1OCC[C@@H]1CCN(Cc1ccoc1)C1CC1 ZINC000934004876 631584206 /nfs/dbraw/zinc/58/42/06/631584206.db2.gz SUUYDBWJWWIWGR-LBPRGKRZSA-N 0 1 249.310 2.197 20 0 BEADMN CCCOc1cccc(CN2CC[C@H]2CO)c1 ZINC000934012352 631590987 /nfs/dbraw/zinc/59/09/87/631590987.db2.gz AQGIEAAVTALTQS-ZDUSSCGKSA-N 0 1 235.327 2.042 20 0 BEADMN COC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000108165123 635643304 /nfs/dbraw/zinc/64/33/04/635643304.db2.gz AGYKUDXKWBTBFN-ZDUSSCGKSA-N 0 1 248.326 2.007 20 0 BEADMN CC(C)Oc1ccc(CN2CC[C@H]2CO)cc1 ZINC000934022975 631620758 /nfs/dbraw/zinc/62/07/58/631620758.db2.gz BTVXOQUYZNKQEU-ZDUSSCGKSA-N 0 1 235.327 2.040 20 0 BEADMN Cc1ccc2ncc(CN3CC[C@H]3CO)cc2c1 ZINC000934019896 631621031 /nfs/dbraw/zinc/62/10/31/631621031.db2.gz SHUNCYIYKPJNRI-AWEZNQCLSA-N 0 1 242.322 2.110 20 0 BEADMN CCC1(c2nc([C@@H](N)C(C)C)no2)CC1 ZINC000308815061 631666129 /nfs/dbraw/zinc/66/61/29/631666129.db2.gz OZQXNLDKSTWHBC-QMMMGPOBSA-N 0 1 209.293 2.167 20 0 BEADMN CCc1onc(C)c1C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934105926 631672587 /nfs/dbraw/zinc/67/25/87/631672587.db2.gz QQVRWVXPSUDWMK-DGCLKSJQSA-N 0 1 238.331 2.155 20 0 BEADMN CCc1onc(C)c1CN(C)[C@@H]1CC[C@H]1OC ZINC000934105926 631672597 /nfs/dbraw/zinc/67/25/97/631672597.db2.gz QQVRWVXPSUDWMK-DGCLKSJQSA-N 0 1 238.331 2.155 20 0 BEADMN CCc1noc(C)c1CN(C)[C@H]1CC[C@H]1OC ZINC000934124518 631704537 /nfs/dbraw/zinc/70/45/37/631704537.db2.gz FJUGTFGSUARWLV-QWHCGFSZSA-N 0 1 238.331 2.155 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1csc(C)c1 ZINC000309031540 631805652 /nfs/dbraw/zinc/80/56/52/631805652.db2.gz BXDVOMVZOQAVTB-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CCCOC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000043559781 631808299 /nfs/dbraw/zinc/80/82/99/631808299.db2.gz PGCGXVNLVCTJHP-OUAUKWLOSA-N 0 1 213.321 2.201 20 0 BEADMN CC[S@](=O)CCNc1ccnc(C)c1Cl ZINC000309027325 631808894 /nfs/dbraw/zinc/80/88/94/631808894.db2.gz YWLLEJPCFYHBGT-HNNXBMFYSA-N 0 1 246.763 2.224 20 0 BEADMN C[C@@H](O)[C@H](C)NCc1c(F)cccc1Cl ZINC000309047896 631823582 /nfs/dbraw/zinc/82/35/82/631823582.db2.gz PKLASCNRXANFFD-JGVFFNPUSA-N 0 1 231.698 2.338 20 0 BEADMN C[C@]1(C2CC2)COCCN1CCc1ccncc1 ZINC000934477000 631871560 /nfs/dbraw/zinc/87/15/60/631871560.db2.gz AVEAFPKQALGUSD-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@H](O)[C@H](F)C2)c1 ZINC000934565238 631929988 /nfs/dbraw/zinc/92/99/88/631929988.db2.gz KSVAKNATPIYCDZ-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN CC[C@H](CC(F)F)CN1CC[C@H](O)[C@@H](F)C1 ZINC000934567660 631933529 /nfs/dbraw/zinc/93/35/29/631933529.db2.gz RASDSNTYFZLCRL-UTLUCORTSA-N 0 1 239.281 2.073 20 0 BEADMN O[C@@H]1CCN([C@H]2CCc3ccccc32)C[C@@H]1F ZINC000934574462 631946373 /nfs/dbraw/zinc/94/63/73/631946373.db2.gz SRTKEAMAKXPWIX-MELADBBJSA-N 0 1 235.302 2.079 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1CCCSC1 ZINC000926432789 632021381 /nfs/dbraw/zinc/02/13/81/632021381.db2.gz XAMYVSVATDWHLN-WPRPVWTQSA-N 0 1 241.360 2.172 20 0 BEADMN Cc1cc(F)cc(-n2cc(CNC(C)C)nn2)c1 ZINC000091527576 632053114 /nfs/dbraw/zinc/05/31/14/632053114.db2.gz YWKWMDOBBIKQFO-UHFFFAOYSA-N 0 1 248.305 2.213 20 0 BEADMN CC[C@]1(NCc2cccnc2Cl)CCOC1 ZINC000309473857 632101868 /nfs/dbraw/zinc/10/18/68/632101868.db2.gz RHJOFQKLQLXHTB-LBPRGKRZSA-N 0 1 240.734 2.394 20 0 BEADMN CCC[C@H](C)NCc1ncc(C(=O)OC)s1 ZINC000894147047 635719639 /nfs/dbraw/zinc/71/96/39/635719639.db2.gz DYNQTPQWRWHZSU-QMMMGPOBSA-N 0 1 242.344 2.208 20 0 BEADMN CC[C@H]1CCCN(CN2CCSC2=O)C1 ZINC000126255140 635723040 /nfs/dbraw/zinc/72/30/40/635723040.db2.gz CWGGNADODFNYTN-JTQLQIEISA-N 0 1 228.361 2.235 20 0 BEADMN Cc1cnc(CSc2nc(C3CC3)n[nH]2)cn1 ZINC000329080460 635741767 /nfs/dbraw/zinc/74/17/67/635741767.db2.gz RJOPJXCZCRCISB-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN Cc1cnc(CSc2n[nH]c(C3CC3)n2)cn1 ZINC000329080460 635741774 /nfs/dbraw/zinc/74/17/74/635741774.db2.gz RJOPJXCZCRCISB-UHFFFAOYSA-N 0 1 247.327 2.073 20 0 BEADMN OC[C@@H](NC/C=C/Cl)c1cccc(F)c1 ZINC000308937343 632527842 /nfs/dbraw/zinc/52/78/42/632527842.db2.gz OQWBJFKPJUUAAZ-XGQHYKRYSA-N 0 1 229.682 2.201 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000235283253 632605939 /nfs/dbraw/zinc/60/59/39/632605939.db2.gz PCBNCMDGSADHGF-MXWKQRLJSA-N 0 1 225.332 2.360 20 0 BEADMN S=c1ncccn1CN1CCC2(CCC2)C1 ZINC000176916425 632608852 /nfs/dbraw/zinc/60/88/52/632608852.db2.gz YDRMVZAQSREDTC-UHFFFAOYSA-N 0 1 235.356 2.446 20 0 BEADMN COc1ccc(CNCc2cccs2)nc1 ZINC000892414643 632658376 /nfs/dbraw/zinc/65/83/76/632658376.db2.gz YFDKSMNESJNGSA-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN CC(C)CCN(C)CN1CC(C)(C)OC1=O ZINC000179376937 632702677 /nfs/dbraw/zinc/70/26/77/632702677.db2.gz AJVRNCRBYUTNOB-UHFFFAOYSA-N 0 1 228.336 2.153 20 0 BEADMN CCCS(=O)(=O)CCN(CC)C[C@H](C)CC ZINC000177063399 632715202 /nfs/dbraw/zinc/71/52/02/632715202.db2.gz LCCRGMHWPMVZOF-GFCCVEGCSA-N 0 1 249.420 2.179 20 0 BEADMN Cc1cnc(=S)n(CN2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000179482253 632719341 /nfs/dbraw/zinc/71/93/41/632719341.db2.gz MXOHIAOJPMYGHM-PHIMTYICSA-N 0 1 249.383 2.466 20 0 BEADMN S=c1ncccn1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000177072962 632729127 /nfs/dbraw/zinc/72/91/27/632729127.db2.gz DOVIJBXCLUEUDT-PHIMTYICSA-N 0 1 235.356 2.302 20 0 BEADMN C[C@H]1CC(C)(C)C[C@@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000235584583 632790413 /nfs/dbraw/zinc/79/04/13/632790413.db2.gz PCBNCMDGSADHGF-AXFHLTTASA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)CCCCCC(=O)Nc1c[nH]nn1 ZINC000935596667 632851790 /nfs/dbraw/zinc/85/17/90/632851790.db2.gz PRHMCFOWDQOTEF-UHFFFAOYSA-N 0 1 224.308 2.350 20 0 BEADMN C[C@@H](NC[C@H]1CCOC1(C)C)c1ncco1 ZINC000926726076 632884554 /nfs/dbraw/zinc/88/45/54/632884554.db2.gz GZHMFKABIOTTQX-NXEZZACHSA-N 0 1 224.304 2.140 20 0 BEADMN C[C@@H](N[C@H]1CCc2cccnc21)c1cnn(C)c1 ZINC000310699488 632889699 /nfs/dbraw/zinc/88/96/99/632889699.db2.gz XPWXIWIRWQPATB-MFKMUULPSA-N 0 1 242.326 2.153 20 0 BEADMN Cc1ccc([C@@H](NCCO)c2cccnc2)cc1 ZINC000924568251 632899693 /nfs/dbraw/zinc/89/96/93/632899693.db2.gz AALZAAKKOVHNGU-OAHLLOKOSA-N 0 1 242.322 2.061 20 0 BEADMN CCC(F)(F)CN[C@@H]1[C@@H](C)COC[C@H]1C ZINC000926760286 632995323 /nfs/dbraw/zinc/99/53/23/632995323.db2.gz ZANVDDSJMPSDPV-MYJAWHEDSA-N 0 1 221.291 2.292 20 0 BEADMN CN(C)c1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000393776922 632998392 /nfs/dbraw/zinc/99/83/92/632998392.db2.gz YOWNXVNESOUBCE-SNVBAGLBSA-N 0 1 239.388 2.487 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCOCC(C)C ZINC000924581631 633050533 /nfs/dbraw/zinc/05/05/33/633050533.db2.gz DWCZBZWARMCFQV-SNVBAGLBSA-N 0 1 241.335 2.091 20 0 BEADMN c1coc(CNc2nccn2C2CC2)c1 ZINC000840886745 633069401 /nfs/dbraw/zinc/06/94/01/633069401.db2.gz ASYCJIZHYWGGDQ-UHFFFAOYSA-N 0 1 203.245 2.423 20 0 BEADMN Cc1[nH]nc(CN2CC[C@H](C)[C@H](F)C2)c1C ZINC000894415919 635896837 /nfs/dbraw/zinc/89/68/37/635896837.db2.gz QRJSAZYNXNJITL-GZMMTYOYSA-N 0 1 225.311 2.206 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cnn(C)c1 ZINC000309451557 633084866 /nfs/dbraw/zinc/08/48/66/633084866.db2.gz MRGUHDOQCDNEKP-ZJUUUORDSA-N 0 1 218.304 2.160 20 0 BEADMN C[C@@H](N[C@H](C)c1ccc[nH]1)c1cnn(C)c1 ZINC000309451553 633085053 /nfs/dbraw/zinc/08/50/53/633085053.db2.gz MRGUHDOQCDNEKP-NXEZZACHSA-N 0 1 218.304 2.160 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000309465727 633106585 /nfs/dbraw/zinc/10/65/85/633106585.db2.gz SRCFBIDUYYMMPX-LBPRGKRZSA-N 0 1 239.340 2.496 20 0 BEADMN CN1CCC[C@H]1C(=O)NC1CCCCCCC1 ZINC000166786641 633122074 /nfs/dbraw/zinc/12/20/74/633122074.db2.gz VLZZLJJQOPRUKT-ZDUSSCGKSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@]1(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CCCS1 ZINC000327864849 633129992 /nfs/dbraw/zinc/12/99/92/633129992.db2.gz ITSLEJWEWBMEIL-JQWIXIFHSA-N 0 1 243.372 2.069 20 0 BEADMN CCc1ccc([C@@H](C)NCC[S@](=O)CC)o1 ZINC000167535929 633131699 /nfs/dbraw/zinc/13/16/99/633131699.db2.gz LNBRRHFZQCPNIZ-HWPZZCPQSA-N 0 1 243.372 2.261 20 0 BEADMN CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000309484001 633163723 /nfs/dbraw/zinc/16/37/23/633163723.db2.gz UQWLGCHZLQYZNK-WCBMZHEXSA-N 0 1 223.320 2.015 20 0 BEADMN CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000309484000 633164430 /nfs/dbraw/zinc/16/44/30/633164430.db2.gz UQWLGCHZLQYZNK-SCZZXKLOSA-N 0 1 223.320 2.015 20 0 BEADMN Cc1cc(N)nc(N2CCC3(CCCC3)C2)n1 ZINC000892720390 633183824 /nfs/dbraw/zinc/18/38/24/633183824.db2.gz CIQOQMTXSFJOGM-UHFFFAOYSA-N 0 1 232.331 2.138 20 0 BEADMN C[C@H](N[C@@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000309552110 633196176 /nfs/dbraw/zinc/19/61/76/633196176.db2.gz IORUWMDMMXORGC-POYBYMJQSA-N 0 1 233.237 2.328 20 0 BEADMN COC(C)(C)CCN[C@@H](C)c1cc(C)on1 ZINC000309546627 633196397 /nfs/dbraw/zinc/19/63/97/633196397.db2.gz GZYFQCKYICKFON-JTQLQIEISA-N 0 1 226.320 2.449 20 0 BEADMN CCCOC(=O)N1CCN(C2CCCC2)CC1 ZINC000306079156 635956255 /nfs/dbraw/zinc/95/62/55/635956255.db2.gz BWRPDHUZAVBCIO-UHFFFAOYSA-N 0 1 240.347 2.093 20 0 BEADMN CC1(C)OCC[C@H]1NC/C(Cl)=C/Cl ZINC000306756464 635974961 /nfs/dbraw/zinc/97/49/61/635974961.db2.gz QKVODJLXMZHAAL-GRKOMRHMSA-N 0 1 224.131 2.463 20 0 BEADMN CSCC[C@H](C)N[C@@H](C)c1nonc1C ZINC000925098149 636005415 /nfs/dbraw/zinc/00/54/15/636005415.db2.gz UUFVIEMVMTUZSU-YUMQZZPRSA-N 0 1 229.349 2.170 20 0 BEADMN CC1(CC(F)(F)F)CN(Cc2cnc[nH]2)C1 ZINC000894980661 636011668 /nfs/dbraw/zinc/01/16/68/636011668.db2.gz VKQGCTIZCAWWPH-UHFFFAOYSA-N 0 1 233.237 2.184 20 0 BEADMN FC(F)(F)C1CN(CCC[C@@H]2CCO2)C1 ZINC000894891333 636000675 /nfs/dbraw/zinc/00/06/75/636000675.db2.gz YUMMQGKNCZVTKX-SECBINFHSA-N 0 1 223.238 2.050 20 0 BEADMN CSCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000925094643 636001336 /nfs/dbraw/zinc/00/13/36/636001336.db2.gz GGQSPKHBEISQQN-IVZWLZJFSA-N 0 1 240.376 2.015 20 0 BEADMN CCC(N)=NOCCCOc1ccccc1C ZINC000067385524 636031870 /nfs/dbraw/zinc/03/18/70/636031870.db2.gz YKYYVBMDKJGNLB-UHFFFAOYSA-N 0 1 236.315 2.463 20 0 BEADMN CCC(N)=NOCCOc1ccccc1C ZINC000067385710 636033206 /nfs/dbraw/zinc/03/32/06/636033206.db2.gz KJMJEEHKQKTSKZ-UHFFFAOYSA-N 0 1 222.288 2.073 20 0 BEADMN CCCC(=CC(=O)NC[C@H]1CCN1C)CCC ZINC000928553367 636088700 /nfs/dbraw/zinc/08/87/00/636088700.db2.gz DOYLSYJVTPJCLV-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN CN1CC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC000928558232 636100080 /nfs/dbraw/zinc/10/00/80/636100080.db2.gz AEUJPFURLGIQBI-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN2C)CC1 ZINC000928561240 636107114 /nfs/dbraw/zinc/10/71/14/636107114.db2.gz YVJORLBHZHMLIG-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](CC(=O)NC[C@H]1CCN1C)CC(C)(C)C ZINC000928561983 636109088 /nfs/dbraw/zinc/10/90/88/636109088.db2.gz BSPOHDFLFAHXDU-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN FC1(CNCc2ccc(Cl)nc2)CC1 ZINC000308530399 633745614 /nfs/dbraw/zinc/74/56/14/633745614.db2.gz ZNCXBIXBUDUQKH-UHFFFAOYSA-N 0 1 214.671 2.327 20 0 BEADMN O=C(CNCc1ccccc1)NC1CCCCC1 ZINC000020038434 633807611 /nfs/dbraw/zinc/80/76/11/633807611.db2.gz BZTUXSWETFSBKO-UHFFFAOYSA-N 0 1 246.354 2.225 20 0 BEADMN COc1cc([C@H](C)N[C@H](C)C(C)(C)OC)on1 ZINC000926894767 633819238 /nfs/dbraw/zinc/81/92/38/633819238.db2.gz QFVAIAYQVHPFEF-DTWKUNHWSA-N 0 1 242.319 2.147 20 0 BEADMN COCCCC1(CNCc2ccon2)CCC1 ZINC000893097997 633829540 /nfs/dbraw/zinc/82/95/40/633829540.db2.gz CVYMWIZVHFMJSN-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN Fc1cnc(Cl)c(CN[C@@H]2CCCOC2)c1 ZINC000295208199 633851299 /nfs/dbraw/zinc/85/12/99/633851299.db2.gz ZRAJLXYLVAWBKD-SNVBAGLBSA-N 0 1 244.697 2.143 20 0 BEADMN CCc1cc(CNc2ncccc2F)n[nH]1 ZINC000309905085 633922134 /nfs/dbraw/zinc/92/21/34/633922134.db2.gz JURSHJVYHYROAC-UHFFFAOYSA-N 0 1 220.251 2.118 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ncccn2)C1(C)C ZINC000930633657 633962251 /nfs/dbraw/zinc/96/22/51/633962251.db2.gz RHFMGMOHZPXUCP-WRWGMCAJSA-N 0 1 249.358 2.187 20 0 BEADMN FC[C@H]1CCN(Cc2cnc(C3CC3)nc2)C1 ZINC000895568675 636159234 /nfs/dbraw/zinc/15/92/34/636159234.db2.gz PFTSKYNJNVWLDU-SNVBAGLBSA-N 0 1 235.306 2.145 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000185628150 634054323 /nfs/dbraw/zinc/05/43/23/634054323.db2.gz NNGCAFICIDRFAV-QWRGUYRKSA-N 0 1 244.294 2.494 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1CC(=O)OCC(C)C ZINC000185633248 634054555 /nfs/dbraw/zinc/05/45/55/634054555.db2.gz ONNOCWMGELJFHA-RYUDHWBXSA-N 0 1 227.348 2.306 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@H]1C1CCC1 ZINC000930818952 634114518 /nfs/dbraw/zinc/11/45/18/634114518.db2.gz BBICUMAJEFABGY-ZDWRTJATSA-N 0 1 239.359 2.080 20 0 BEADMN C[C@@H](NCC1(C2CC2)CC1)c1cc(CO)on1 ZINC000925612623 634151704 /nfs/dbraw/zinc/15/17/04/634151704.db2.gz MUCKNTXASYMUHC-SECBINFHSA-N 0 1 236.315 2.008 20 0 BEADMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)co1 ZINC000188928033 634156039 /nfs/dbraw/zinc/15/60/39/634156039.db2.gz GXORDBFHCNRPGX-UHFFFAOYSA-N 0 1 242.234 2.418 20 0 BEADMN CC1CCN(Cc2ccc(F)nc2)CC1 ZINC000189280487 634174705 /nfs/dbraw/zinc/17/47/05/634174705.db2.gz COJVYMNMTXAAQB-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1c[nH]cn1 ZINC000930916808 634178079 /nfs/dbraw/zinc/17/80/79/634178079.db2.gz SLGLFLIUQDDTJS-UHFFFAOYSA-N 0 1 233.290 2.223 20 0 BEADMN COC/C(C)=C\CN1CCO[C@@](C)(C2CC2)C1 ZINC000930922890 634178983 /nfs/dbraw/zinc/17/89/83/634178983.db2.gz IGWATXXGMZMHKF-NFEOESJKSA-N 0 1 239.359 2.080 20 0 BEADMN CCOC[C@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000189437552 634181418 /nfs/dbraw/zinc/18/14/18/634181418.db2.gz SASHOIJHIYRKGI-LBPRGKRZSA-N 0 1 238.306 2.079 20 0 BEADMN CO[C@@H]1CCC[C@@H]1CN[C@@H](C)c1ncco1 ZINC000925691378 634316249 /nfs/dbraw/zinc/31/62/49/634316249.db2.gz MBXWWXFDQSXJLW-HBNTYKKESA-N 0 1 224.304 2.140 20 0 BEADMN CC[C@H](CSC)N[C@H](C)c1nonc1C ZINC000925696216 634351879 /nfs/dbraw/zinc/35/18/79/634351879.db2.gz YDEJABDPAWIKFL-VXNVDRBHSA-N 0 1 229.349 2.170 20 0 BEADMN CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000258651487 635182219 /nfs/dbraw/zinc/18/22/19/635182219.db2.gz MVDSCKANNUVFJE-QWHCGFSZSA-N 0 1 233.311 2.229 20 0 BEADMN CC1(C)CN(CC[C@@H](O)c2ccccc2)CCO1 ZINC000053932714 635193188 /nfs/dbraw/zinc/19/31/88/635193188.db2.gz GAQQOEQVDQFXNC-CQSZACIVSA-N 0 1 249.354 2.221 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])CC1CCCCC1 ZINC000258865057 635214675 /nfs/dbraw/zinc/21/46/75/635214675.db2.gz KLUZIODRYMYMOG-NWDGAFQWSA-N 0 1 225.332 2.219 20 0 BEADMN C(=NN=c1[nH]c2ccccc2[nH]1)c1cccnc1 ZINC000005875580 635264705 /nfs/dbraw/zinc/26/47/05/635264705.db2.gz UWLQJXXNMPYPEU-UHFFFAOYSA-N 0 1 237.266 2.404 20 0 BEADMN CC[C@H](CO)NCc1c(F)ccc(C)c1F ZINC000931772665 635333778 /nfs/dbraw/zinc/33/37/78/635333778.db2.gz ODRCOMBMMLTAPK-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN CCC1(C(=O)N2C[C@@H](C)N[C@@H](C)C2)CCCC1 ZINC000094905903 635394778 /nfs/dbraw/zinc/39/47/78/635394778.db2.gz WPTZYDUMGKINAD-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000229552115 635474170 /nfs/dbraw/zinc/47/41/70/635474170.db2.gz ATRNBFVUSRENBV-CYBMUJFWSA-N 0 1 237.299 2.275 20 0 BEADMN CCS[C@@H]1CCC[C@@H]1NCc1nonc1C ZINC000233994185 635547632 /nfs/dbraw/zinc/54/76/32/635547632.db2.gz YQFXMSIEZPYULT-GXSJLCMTSA-N 0 1 241.360 2.142 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000235706849 635584820 /nfs/dbraw/zinc/58/48/20/635584820.db2.gz VHMGHVXEUZAWOO-VHSXEESVSA-N 0 1 234.299 2.010 20 0 BEADMN CC(C)[C@@H]1C[C@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870317 635585202 /nfs/dbraw/zinc/58/52/02/635585202.db2.gz WAQHHRICFYRDIK-CQDKDKBSSA-N 0 1 246.354 2.364 20 0 BEADMN C[C@@H](NCc1nc(C(F)F)no1)C1CCC1 ZINC000895725484 636175190 /nfs/dbraw/zinc/17/51/90/636175190.db2.gz MRVCXDHLOGJSDY-ZCFIWIBFSA-N 0 1 231.246 2.285 20 0 BEADMN C[C@@H]1CCCC[C@]1(C)NC(=O)Cc1cnc[nH]1 ZINC000909566635 636255287 /nfs/dbraw/zinc/25/52/87/636255287.db2.gz IZHIHPRAZHOSLQ-MFKMUULPSA-N 0 1 235.331 2.037 20 0 BEADMN CCC[C@@H](CCO)CN[C@@H](C)c1ncco1 ZINC000925185238 636361792 /nfs/dbraw/zinc/36/17/92/636361792.db2.gz AJZVBSBZWNESDP-QWRGUYRKSA-N 0 1 226.320 2.124 20 0 BEADMN C[C@H](NCC1(CCO)CCCC1)c1ncco1 ZINC000925187819 636365160 /nfs/dbraw/zinc/36/51/60/636365160.db2.gz FXWGECPOFFPODG-NSHDSACASA-N 0 1 238.331 2.268 20 0 BEADMN C[C@H](N[C@H]1CCCc2[nH]ccc21)c1cn(C)cn1 ZINC000925224072 636415945 /nfs/dbraw/zinc/41/59/45/636415945.db2.gz DJZJSHJXMKRPOF-GWCFXTLKSA-N 0 1 244.342 2.476 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccoc1C ZINC000321474566 636646565 /nfs/dbraw/zinc/64/65/65/636646565.db2.gz HYKUHUJILPOTME-VIFPVBQESA-N 0 1 225.288 2.273 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000897495939 636724227 /nfs/dbraw/zinc/72/42/27/636724227.db2.gz HCGDQKMVWQTDLN-GRYCIOLGSA-N 0 1 238.375 2.164 20 0 BEADMN CC[C@H](C)NC(=O)c1cc(F)cc(F)c1O ZINC000929103228 636801709 /nfs/dbraw/zinc/80/17/09/636801709.db2.gz CNLYFTBXWJNCIJ-LURJTMIESA-N 0 1 229.226 2.199 20 0 BEADMN CC[C@H]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC000897887409 636843280 /nfs/dbraw/zinc/84/32/80/636843280.db2.gz JHHFZLLSIGJBFZ-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](NCC1(F)CC1)c1cncs1 ZINC000897932587 636846553 /nfs/dbraw/zinc/84/65/53/636846553.db2.gz NNLMJGLQNDXMJH-ZETCQYMHSA-N 0 1 200.282 2.296 20 0 BEADMN CC(C)[C@@H](NCc1ccnn1C)c1ccccn1 ZINC000080203754 636862479 /nfs/dbraw/zinc/86/24/79/636862479.db2.gz YFOXBSRSTPEGEB-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN CC(C)[C@H](NCc1ccnn1C)c1ccccn1 ZINC000080203751 636863637 /nfs/dbraw/zinc/86/36/37/636863637.db2.gz YFOXBSRSTPEGEB-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN C[C@H](NC1CC2(C1)CCCC2)c1cn(C)nn1 ZINC000926902085 636934983 /nfs/dbraw/zinc/93/49/83/636934983.db2.gz UYRVNEVKIXMEKX-JTQLQIEISA-N 0 1 234.347 2.189 20 0 BEADMN Cc1occc1-c1nc([C@H](N)C(C)C)no1 ZINC000041052647 636960805 /nfs/dbraw/zinc/96/08/05/636960805.db2.gz YYCCIIGXNQWHPM-SECBINFHSA-N 0 1 221.260 2.294 20 0 BEADMN CC(C)=CCOC(=O)[C@H]1CCCN1C(C)C ZINC000923888727 636968056 /nfs/dbraw/zinc/96/80/56/636968056.db2.gz NMWVRXJMVYWELB-GFCCVEGCSA-N 0 1 225.332 2.369 20 0 BEADMN CCC[C@@H](O)CCN[C@@H](C)c1cc(C)on1 ZINC000927015053 636988964 /nfs/dbraw/zinc/98/89/64/636988964.db2.gz FGNFFXSKYQUVPT-WDEREUQCSA-N 0 1 226.320 2.185 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2ccnnc2)cn1 ZINC000924693751 636998843 /nfs/dbraw/zinc/99/88/43/636998843.db2.gz AAMBFZSDYLRZBQ-NSHDSACASA-N 0 1 228.299 2.031 20 0 BEADMN CC(C)COC(=O)[C@@H]1CCCN1C(C)C ZINC000923892668 637010799 /nfs/dbraw/zinc/01/07/99/637010799.db2.gz UNFNJWDZGVTCHD-NSHDSACASA-N 0 1 213.321 2.058 20 0 BEADMN CC[C@H](C)CCNC(=O)c1cncc2nc[nH]c21 ZINC000898661931 637052195 /nfs/dbraw/zinc/05/21/95/637052195.db2.gz KZVKPFKABBGLNT-VIFPVBQESA-N 0 1 246.314 2.124 20 0 BEADMN c1cn2c(n1)[C@@H](NC1([C@@H]3CCCCO3)CC1)CC2 ZINC000927159132 637067762 /nfs/dbraw/zinc/06/77/62/637067762.db2.gz LNVLTYFIOXEWCQ-RYUDHWBXSA-N 0 1 247.342 2.019 20 0 BEADMN C/C=C\C[C@H]1CCCN(Cc2cn(CC)nn2)C1 ZINC000899886285 637148154 /nfs/dbraw/zinc/14/81/54/637148154.db2.gz OKQVFNGAMZWHHQ-DXTPNHAXSA-N 0 1 248.374 2.476 20 0 BEADMN CCn1cc(CN(CCC2CC2)CC2CC2)nn1 ZINC000899886650 637148654 /nfs/dbraw/zinc/14/86/54/637148654.db2.gz YSZPZEBAFKYOJU-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CC1(C)CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC000901026647 637227510 /nfs/dbraw/zinc/22/75/10/637227510.db2.gz VISPVMFGJOIAPE-SECBINFHSA-N 0 1 239.294 2.247 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000901487758 637255353 /nfs/dbraw/zinc/25/53/53/637255353.db2.gz AQBWVUYBTYVYHD-LBPRGKRZSA-N 0 1 244.294 2.074 20 0 BEADMN CCc1nc(CSCc2[nH]ncc2C)no1 ZINC000902309406 637293298 /nfs/dbraw/zinc/29/32/98/637293298.db2.gz MKFCYRWNHLTOAZ-UHFFFAOYSA-N 0 1 238.316 2.097 20 0 BEADMN Cc1csc([C@H](C)NCC[C@H](O)C2CC2)n1 ZINC000903412542 637358930 /nfs/dbraw/zinc/35/89/30/637358930.db2.gz UNYNCKXDAIVYTM-ONGXEEELSA-N 0 1 240.372 2.263 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000903600215 637374209 /nfs/dbraw/zinc/37/42/09/637374209.db2.gz BDMNBKOZJBAIJF-RSNNXLNZSA-N 0 1 235.327 2.161 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000903601760 637374381 /nfs/dbraw/zinc/37/43/81/637374381.db2.gz OBSVFWMLPDHCAX-GRYCIOLGSA-N 0 1 227.348 2.464 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000903600212 637374478 /nfs/dbraw/zinc/37/44/78/637374478.db2.gz BDMNBKOZJBAIJF-HORCIZIBSA-N 0 1 235.327 2.161 20 0 BEADMN CC(C)[C@H](N)c1noc(C2(C)CC=CC2)n1 ZINC000904500155 637427608 /nfs/dbraw/zinc/42/76/08/637427608.db2.gz ORVDLBBDTXQGJO-VIFPVBQESA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)[C@H](N)c1noc([C@]2(C)C=CCC2)n1 ZINC000904500344 637428220 /nfs/dbraw/zinc/42/82/20/637428220.db2.gz KYDHFDIVXAMHQD-JOYOIKCWSA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(C)CC=CC2)n1 ZINC000904500154 637428469 /nfs/dbraw/zinc/42/84/69/637428469.db2.gz ORVDLBBDTXQGJO-SECBINFHSA-N 0 1 221.304 2.333 20 0 BEADMN c1cc(-c2ccc([C@H]3COCCN3)cc2)c[nH]1 ZINC000904844069 637502918 /nfs/dbraw/zinc/50/29/18/637502918.db2.gz PWWVHGNCIWOKFG-CQSZACIVSA-N 0 1 228.295 2.343 20 0 BEADMN c1cc(-c2cccc([C@H]3COCCN3)c2)c[nH]1 ZINC000904844090 637503053 /nfs/dbraw/zinc/50/30/53/637503053.db2.gz QFZDLNIPWWRWRB-CQSZACIVSA-N 0 1 228.295 2.343 20 0 BEADMN CCOCOc1cnccc1-c1cn[nH]c1C ZINC000904877933 637519459 /nfs/dbraw/zinc/51/94/59/637519459.db2.gz KRHPQWGNOHGXHP-UHFFFAOYSA-N 0 1 233.271 2.153 20 0 BEADMN CC[C@](O)(CNCc1ccoc1)C(F)(F)F ZINC000905069352 637601061 /nfs/dbraw/zinc/60/10/61/637601061.db2.gz VXGPPLDCGQKBQB-VIFPVBQESA-N 0 1 237.221 2.073 20 0 BEADMN CC(C)c1ccc([S@](=O)Cc2c[nH]nn2)cc1 ZINC000905163855 637675627 /nfs/dbraw/zinc/67/56/27/637675627.db2.gz BEFAISJCMRPBDQ-QGZVFWFLSA-N 0 1 249.339 2.236 20 0 BEADMN CC[C@H](O)CN[C@@H]1c2ccccc2CC[C@@H]1F ZINC000905453086 637810918 /nfs/dbraw/zinc/81/09/18/637810918.db2.gz NOSFPQXJZXXTBB-FPMFFAJLSA-N 0 1 237.318 2.373 20 0 BEADMN CC(C)NCc1cn([C@@H]2C=CCCC2)nn1 ZINC000905791441 637931372 /nfs/dbraw/zinc/93/13/72/637931372.db2.gz CRHOOBVQJRZICO-GFCCVEGCSA-N 0 1 220.320 2.057 20 0 BEADMN C[C@@H]1CCN1C[C@@H](O)c1cccc(Cl)c1 ZINC000905973450 637988754 /nfs/dbraw/zinc/98/87/54/637988754.db2.gz JEIIVOLPTYKJRW-BXKDBHETSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H]1CCN1C[C@H](O)c1cccc(Cl)c1 ZINC000905973453 637989345 /nfs/dbraw/zinc/98/93/45/637989345.db2.gz JEIIVOLPTYKJRW-SKDRFNHKSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H]1CCN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000905974662 637990917 /nfs/dbraw/zinc/99/09/17/637990917.db2.gz LUTJRNFVAYTQSM-PRHODGIISA-N 0 1 227.254 2.092 20 0 BEADMN C[C@H]1CCN1C[C@H](O)c1ccc(F)cc1F ZINC000905975834 637994065 /nfs/dbraw/zinc/99/40/65/637994065.db2.gz VSDPGOLCKLBQQH-UFBFGSQYSA-N 0 1 227.254 2.092 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cn(C2CC2)nn1 ZINC000906254395 638119936 /nfs/dbraw/zinc/11/99/36/638119936.db2.gz IOOQTTIRGRSGBQ-SNVBAGLBSA-N 0 1 222.336 2.233 20 0 BEADMN C[C@@H]1CN(Cc2cn(C3CC3)nn2)C(C)(C)C1 ZINC000906271879 638124667 /nfs/dbraw/zinc/12/46/67/638124667.db2.gz SYFTTXOVWBKUAG-JTQLQIEISA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906272511 638124775 /nfs/dbraw/zinc/12/47/75/638124775.db2.gz MRRRZGAPNFFVIJ-GHMZBOCLSA-N 0 1 234.347 2.233 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906272544 638124972 /nfs/dbraw/zinc/12/49/72/638124972.db2.gz GGCURBJDYKOXQY-PWSUYJOCSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H](N(C)Cc1cn(C2CC2)nn1)C1(C)CC1 ZINC000906274894 638126465 /nfs/dbraw/zinc/12/64/65/638126465.db2.gz ZJPAXTKKJKYYKG-SNVBAGLBSA-N 0 1 234.347 2.233 20 0 BEADMN CC(C)(C)[C@H]1CCN(Cc2cn(C3CC3)nn2)C1 ZINC000906282986 638127261 /nfs/dbraw/zinc/12/72/61/638127261.db2.gz KPUGMDVIWMHFEC-NSHDSACASA-N 0 1 248.374 2.481 20 0 BEADMN C[C@H]1CCCN(Cc2cn(C3CC3)nn2)CC1 ZINC000906261503 638128942 /nfs/dbraw/zinc/12/89/42/638128942.db2.gz KLXBUAODWJWQLI-NSHDSACASA-N 0 1 234.347 2.235 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906267065 638130022 /nfs/dbraw/zinc/13/00/22/638130022.db2.gz NZCKIDVKXXQYPO-PHIMTYICSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906267065 638130026 /nfs/dbraw/zinc/13/00/26/638130026.db2.gz NZCKIDVKXXQYPO-PHIMTYICSA-N 0 1 234.347 2.376 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cn(C2CC2)nn1 ZINC000906267064 638130665 /nfs/dbraw/zinc/13/06/65/638130665.db2.gz NZCKIDVKXXQYPO-GHMZBOCLSA-N 0 1 234.347 2.376 20 0 BEADMN c1c(CN2CCC[C@H]3CCC[C@H]32)nnn1C1CC1 ZINC000906269067 638133075 /nfs/dbraw/zinc/13/30/75/638133075.db2.gz DNYJBTXWVMVQIX-BXUZGUMPSA-N 0 1 246.358 2.378 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2Cc1cn(C2CC2)nn1 ZINC000906314112 638141492 /nfs/dbraw/zinc/14/14/92/638141492.db2.gz BEKYGIWAHWNXDP-FTNCPSPGSA-N 0 1 246.358 2.376 20 0 BEADMN C[C@@H]1CN(Cc2cn(C3CC3)nn2)[C@@H](C)[C@H]1C ZINC000906320738 638143043 /nfs/dbraw/zinc/14/30/43/638143043.db2.gz MXGILQKWRRXSNP-VWYCJHECSA-N 0 1 234.347 2.089 20 0 BEADMN O=C(NCc1cnc[nH]1)C1(C2CCCCC2)CC1 ZINC000906759792 638241728 /nfs/dbraw/zinc/24/17/28/638241728.db2.gz XCIZXJNQQFERFT-UHFFFAOYSA-N 0 1 247.342 2.386 20 0 BEADMN CCCCOC(=O)CN(CC1CC1)C(C)C ZINC000043447894 638347247 /nfs/dbraw/zinc/34/72/47/638347247.db2.gz JLDJCPDRXLQKOF-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN O=C(Cc1cnc[nH]1)NCCC1=CCCCCC1 ZINC000907417597 638378937 /nfs/dbraw/zinc/37/89/37/638378937.db2.gz LPMIWWGTWXHSEK-UHFFFAOYSA-N 0 1 247.342 2.349 20 0 BEADMN CC1(C)CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000907629131 638424209 /nfs/dbraw/zinc/42/42/09/638424209.db2.gz SGIIPCUTKDCDBA-SNVBAGLBSA-N 0 1 235.331 2.037 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC000908551238 639011632 /nfs/dbraw/zinc/01/16/32/639011632.db2.gz JTXFLORZWBIKDC-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN CC1(C(=O)Nc2cccc3[nH]nnc32)CCCC1 ZINC000908701108 639052840 /nfs/dbraw/zinc/05/28/40/639052840.db2.gz UMOHRLVCFRVGPN-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CC1(C(=O)Nc2cccc3[nH]nnc32)CCC1 ZINC000908700138 639053325 /nfs/dbraw/zinc/05/33/25/639053325.db2.gz HDYGEDNZRQOFAI-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)/C=C(/C)Cl ZINC000909208803 639173884 /nfs/dbraw/zinc/17/38/84/639173884.db2.gz RSHYULNSTNEYLS-HIJJYWJESA-N 0 1 244.766 2.072 20 0 BEADMN CC(C(=O)NC(C)(C)c1c[nH]nn1)=C1CCCC1 ZINC000909720995 639211009 /nfs/dbraw/zinc/21/10/09/639211009.db2.gz FYRIOQHVSVMMLF-UHFFFAOYSA-N 0 1 248.330 2.047 20 0 BEADMN CCN(CC)Cc1ccc(C(=O)N2CC=CC2)o1 ZINC000910005529 639303600 /nfs/dbraw/zinc/30/36/00/639303600.db2.gz QZUVYZVDVPGJAR-UHFFFAOYSA-N 0 1 248.326 2.133 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CCC2(C)CC2)n[nH]1 ZINC000910038108 639345371 /nfs/dbraw/zinc/34/53/71/639345371.db2.gz PGWNXOGNMPQDJP-MRVPVSSYSA-N 0 1 237.303 2.298 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC000910384470 639434941 /nfs/dbraw/zinc/43/49/41/639434941.db2.gz DMANZQBCLYBKAP-FIQHERPVSA-N 0 1 246.310 2.301 20 0 BEADMN C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@H](C)C(=O)[O-] ZINC000910431761 639447285 /nfs/dbraw/zinc/44/72/85/639447285.db2.gz ZFOBEZFYPZWXEZ-JGVFFNPUSA-N 0 1 233.271 2.084 20 0 BEADMN Cc1cccc(N[C@H]2CCC[C@]2(C)C(=O)[O-])[nH+]1 ZINC000910439992 639450714 /nfs/dbraw/zinc/45/07/14/639450714.db2.gz DURNWZBFGWOMHY-GWCFXTLKSA-N 0 1 234.299 2.445 20 0 BEADMN Cc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000910450670 639455124 /nfs/dbraw/zinc/45/51/24/639455124.db2.gz CFFSBDGSNLIWHU-GVXVVHGQSA-N 0 1 246.310 2.080 20 0 BEADMN Cc1cccc(N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])[nH+]1 ZINC000910457210 639455639 /nfs/dbraw/zinc/45/56/39/639455639.db2.gz UPLXOGNUTKKZGH-LOWVWBTDSA-N 0 1 246.310 2.080 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000910469976 639462968 /nfs/dbraw/zinc/46/29/68/639462968.db2.gz LHFISXFTMXJFNS-HTQZYQBOSA-N 0 1 248.307 2.429 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000910911862 639536731 /nfs/dbraw/zinc/53/67/31/639536731.db2.gz NVILMPDBDVFUCU-UHFFFAOYSA-N 0 1 247.302 2.071 20 0 BEADMN COC/C(C)=C/CN1CC[C@H](C)[C@@H](F)C1 ZINC000930244544 639651820 /nfs/dbraw/zinc/65/18/20/639651820.db2.gz NWSQCNZNWRAALQ-FDZLHUOSSA-N 0 1 215.312 2.259 20 0 BEADMN COC/C(C)=C\CN1CC[C@H](C)[C@@H](F)C1 ZINC000930244546 639653547 /nfs/dbraw/zinc/65/35/47/639653547.db2.gz NWSQCNZNWRAALQ-UWMOLUOFSA-N 0 1 215.312 2.259 20 0 BEADMN CCON(C(=O)c1c(C)n[nH]c1Cl)C(C)C ZINC000911553123 639664354 /nfs/dbraw/zinc/66/43/54/639664354.db2.gz NNROYOBCCTWYTG-UHFFFAOYSA-N 0 1 245.710 2.174 20 0 BEADMN CCc1ncc(CN2CCC[C@@](C)(OC)C2)o1 ZINC000930271252 639676064 /nfs/dbraw/zinc/67/60/64/639676064.db2.gz VMMAZOHNNXIDHR-CYBMUJFWSA-N 0 1 238.331 2.238 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cc(C)nnc2C)[C@H](C)C1 ZINC000930322925 639705002 /nfs/dbraw/zinc/70/50/02/639705002.db2.gz LPBDJULUZQUUMA-RISCZKNCSA-N 0 1 249.358 2.093 20 0 BEADMN CC[C@@H](CO)N1CC[C@@](F)(c2ccccc2)C1 ZINC000930351144 639721003 /nfs/dbraw/zinc/72/10/03/639721003.db2.gz NGRWMHRAMNOGNP-KBPBESRZSA-N 0 1 237.318 2.328 20 0 BEADMN CCOC[C@H](N[C@H](C)c1ncccn1)C(C)C ZINC000930436083 639753091 /nfs/dbraw/zinc/75/30/91/639753091.db2.gz XIYLODUCWQCYPK-NEPJUHHUSA-N 0 1 237.347 2.188 20 0 BEADMN CC[C@@H]1CN([C@H](C)C2CC2)C[C@H](C)[S@]1=O ZINC000930453763 639759944 /nfs/dbraw/zinc/75/99/44/639759944.db2.gz BFFJWQBQCBJIFV-PETRGTFGSA-N 0 1 229.389 2.016 20 0 BEADMN CCc1onc(C)c1CN(C)C[C@H](C)OC ZINC000930476705 639770544 /nfs/dbraw/zinc/77/05/44/639770544.db2.gz SWZYBSIWRVSOAF-VIFPVBQESA-N 0 1 226.320 2.012 20 0 BEADMN CCOCC(C)(C)NCc1cnc(CC)o1 ZINC000930576605 639812918 /nfs/dbraw/zinc/81/29/18/639812918.db2.gz DYTFENIAQZLTTQ-UHFFFAOYSA-N 0 1 226.320 2.142 20 0 BEADMN COC/C(C)=C\CN1CCC[C@](C)(F)C1 ZINC000930596578 639816182 /nfs/dbraw/zinc/81/61/82/639816182.db2.gz WEHPPWAEAOTWEX-QJGQKNTRSA-N 0 1 215.312 2.403 20 0 BEADMN F[C@H]1CCN(CCCc2cccnc2)C1 ZINC000930603037 639817657 /nfs/dbraw/zinc/81/76/57/639817657.db2.gz HGMZOTZMNKDIOP-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN CCCCC1(C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC000911795357 639819714 /nfs/dbraw/zinc/81/97/14/639819714.db2.gz JMKKQTOWQRJLIT-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ncc(CN2CC[C@@H](OC)[C@H](C)C2)o1 ZINC000930636976 639835657 /nfs/dbraw/zinc/83/56/57/639835657.db2.gz JVOPHAXVVBDOML-ZYHUDNBSSA-N 0 1 238.331 2.094 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000930650119 639845658 /nfs/dbraw/zinc/84/56/58/639845658.db2.gz HHDJIFNCJHALGH-VXGBXAGGSA-N 0 1 249.358 2.021 20 0 BEADMN CCc1ncc(CN2CCCC[C@@H]2COC)o1 ZINC000930664222 639852028 /nfs/dbraw/zinc/85/20/28/639852028.db2.gz DUEJJZTXUDEHAB-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ccncc1NC(=O)c1[nH]c(C)nc1C ZINC000911901362 639863762 /nfs/dbraw/zinc/86/37/62/639863762.db2.gz FJAWXKRHNWHCMA-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN C[C@H](NCC1CC(C)C1)c1csnn1 ZINC000930726009 639879837 /nfs/dbraw/zinc/87/98/37/639879837.db2.gz JXJHDULLTMQJPG-MGURRDGZSA-N 0 1 211.334 2.235 20 0 BEADMN COCCCCN(C)[C@H](C)c1snnc1C ZINC000930743465 639891846 /nfs/dbraw/zinc/89/18/46/639891846.db2.gz DUZPFYPUHWLTOD-SNVBAGLBSA-N 0 1 243.376 2.266 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)C[C@H](CC)O1 ZINC000930747265 639894102 /nfs/dbraw/zinc/89/41/02/639894102.db2.gz JEYKLZWGHMFQED-IONAJQSGSA-N 0 1 241.375 2.469 20 0 BEADMN c1nnc(CN2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000930810318 639913204 /nfs/dbraw/zinc/91/32/04/639913204.db2.gz PKFCYBCXYHYITM-UWVGGRQHSA-N 0 1 223.345 2.303 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)c1ccsc1 ZINC000912003726 639921105 /nfs/dbraw/zinc/92/11/05/639921105.db2.gz NQAHYZXUAYCBFW-SECBINFHSA-N 0 1 249.339 2.313 20 0 BEADMN CC[C@@H]1CN(C/C=C(/C)COC)[C@H](C)CO1 ZINC000930851307 639948342 /nfs/dbraw/zinc/94/83/42/639948342.db2.gz AYKBJWRJXVIMLG-RLLAQXBXSA-N 0 1 227.348 2.078 20 0 BEADMN CCc1ncc(CN(CC)[C@@H]2CCCOC2)o1 ZINC000930853795 639951772 /nfs/dbraw/zinc/95/17/72/639951772.db2.gz YJRUPSYBFIRZRG-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN CCCN(Cc1noc2c1COCC2)C(C)C ZINC000930886526 639974265 /nfs/dbraw/zinc/97/42/65/639974265.db2.gz TYOQURCVNVWUOL-UHFFFAOYSA-N 0 1 238.331 2.368 20 0 BEADMN CN(Cc1cn(C)nn1)C[C@H]1CC2CCC1CC2 ZINC000931015958 640021380 /nfs/dbraw/zinc/02/13/80/640021380.db2.gz LIUHPPCIYCFXHP-WXRRBKDZSA-N 0 1 248.374 2.073 20 0 BEADMN C[C@@H](c1ncccn1)N1CC2CC1(C)C2 ZINC000931079701 640060687 /nfs/dbraw/zinc/06/06/87/640060687.db2.gz AQCADEZOOREXCK-BMQDGWLCSA-N 0 1 203.289 2.022 20 0 BEADMN CCCN(C)C(=O)c1cc(F)cc(F)c1O ZINC000931109170 640065913 /nfs/dbraw/zinc/06/59/13/640065913.db2.gz STAGFOOLQZTURL-UHFFFAOYSA-N 0 1 229.226 2.152 20 0 BEADMN Cc1ccc(CN2CCC[C@H]2c2nnc[nH]2)cc1 ZINC000931137376 640072457 /nfs/dbraw/zinc/07/24/57/640072457.db2.gz ROMQADLBETWSAI-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cccc(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC000931133973 640073609 /nfs/dbraw/zinc/07/36/09/640073609.db2.gz WUZREVBEJVCIRY-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN COC(=O)/C=C(/C)CN1CCCC(F)(F)CC1 ZINC000931173331 640089841 /nfs/dbraw/zinc/08/98/41/640089841.db2.gz ASXPFILMPWNPNL-NTMALXAHSA-N 0 1 247.285 2.227 20 0 BEADMN Cc1ncc(C(=O)N2CC=CC23CCCCC3)[nH]1 ZINC000912480351 640092568 /nfs/dbraw/zinc/09/25/68/640092568.db2.gz HYXSBFSPSGRUEJ-UHFFFAOYSA-N 0 1 245.326 2.433 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC(F)(F)C[C@H]1C ZINC000931255522 640116132 /nfs/dbraw/zinc/11/61/32/640116132.db2.gz UDSAOQHQHPQUPP-ABRRARGCSA-N 0 1 247.285 2.225 20 0 BEADMN CCNCc1nc(-c2ccc(CC)cc2)no1 ZINC000044290874 640175275 /nfs/dbraw/zinc/17/52/75/640175275.db2.gz ZPHHGWBNYDVOBQ-UHFFFAOYSA-N 0 1 231.299 2.409 20 0 BEADMN Cc1ccncc1CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931459763 640213723 /nfs/dbraw/zinc/21/37/23/640213723.db2.gz AHAOXUMROQPIMB-NSHDSACASA-N 0 1 242.326 2.232 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)Cc2c[nH]nc21 ZINC000931461723 640218853 /nfs/dbraw/zinc/21/88/53/640218853.db2.gz YKXOJWLLWUALLA-PWSUYJOCSA-N 0 1 249.358 2.286 20 0 BEADMN C[C@H]1CN(CC2=CCCC2)Cc2c[nH]nc21 ZINC000931461387 640219094 /nfs/dbraw/zinc/21/90/94/640219094.db2.gz DGLPEHXOYSQCFC-JTQLQIEISA-N 0 1 217.316 2.439 20 0 BEADMN C[C@@H]1CN(CC2=CCCC2)Cc2c[nH]nc21 ZINC000931461388 640221370 /nfs/dbraw/zinc/22/13/70/640221370.db2.gz DGLPEHXOYSQCFC-SNVBAGLBSA-N 0 1 217.316 2.439 20 0 BEADMN C[C@H]1CN(C[C@H]2CC(C)(C)CO2)Cc2c[nH]nc21 ZINC000931466111 640226060 /nfs/dbraw/zinc/22/60/60/640226060.db2.gz JENSXOXHLWCKOO-CMPLNLGQSA-N 0 1 249.358 2.144 20 0 BEADMN CC(C)(C)[C@@H]1CSCCN1CCF ZINC000931596836 640284449 /nfs/dbraw/zinc/28/44/49/640284449.db2.gz MJLYPTFLYJQAFZ-VIFPVBQESA-N 0 1 205.342 2.419 20 0 BEADMN CCCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512175 640242602 /nfs/dbraw/zinc/24/26/02/640242602.db2.gz GGKDOMVGAKLLJS-UHFFFAOYSA-N 0 1 219.332 2.212 20 0 BEADMN CCO[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000151074046 640288362 /nfs/dbraw/zinc/28/83/62/640288362.db2.gz FLXFXKVULHOPFR-DFVUYQKZSA-N 0 1 203.713 2.240 20 0 BEADMN CCO[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000151074046 640288370 /nfs/dbraw/zinc/28/83/70/640288370.db2.gz FLXFXKVULHOPFR-DFVUYQKZSA-N 0 1 203.713 2.240 20 0 BEADMN CC[C@H](CO)NCc1nc(Cl)ccc1Cl ZINC000931774847 640367041 /nfs/dbraw/zinc/36/70/41/640367041.db2.gz OBNWACSETGIKQI-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN CCOc1cc(NCc2cnc[nH]2)ccc1OC ZINC000054764784 640403786 /nfs/dbraw/zinc/40/37/86/640403786.db2.gz GTRFMWPGBWGWKY-UHFFFAOYSA-N 0 1 247.298 2.429 20 0 BEADMN CN(C)c1ccccc1NCc1cnc[nH]1 ZINC000054764756 640404747 /nfs/dbraw/zinc/40/47/47/640404747.db2.gz BSKGVAGSKBWCOB-UHFFFAOYSA-N 0 1 216.288 2.088 20 0 BEADMN Cc1cc(N(C)C)ccc1NCc1cnc[nH]1 ZINC000054764231 640406262 /nfs/dbraw/zinc/40/62/62/640406262.db2.gz FRYMYMNRRXZINA-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN CC(C)N1CCS[C@H](C(F)(F)F)C1 ZINC000932084867 640422833 /nfs/dbraw/zinc/42/28/33/640422833.db2.gz METFDWHUZICKEI-ZETCQYMHSA-N 0 1 213.268 2.375 20 0 BEADMN Cn1c(Cl)cnc1CN[C@H]1CCCSC1 ZINC000163977512 640431471 /nfs/dbraw/zinc/43/14/71/640431471.db2.gz MEZOTQOAUOUQGO-QMMMGPOBSA-N 0 1 245.779 2.059 20 0 BEADMN Cn1c(Cl)cnc1CN[C@@H]1CCCSC1 ZINC000163977418 640432103 /nfs/dbraw/zinc/43/21/03/640432103.db2.gz MEZOTQOAUOUQGO-MRVPVSSYSA-N 0 1 245.779 2.059 20 0 BEADMN C[C@H]1OCCN(CCc2cccs2)[C@H]1C ZINC000156449326 640453256 /nfs/dbraw/zinc/45/32/56/640453256.db2.gz DXHGARZJVRJDCH-WDEREUQCSA-N 0 1 225.357 2.400 20 0 BEADMN COC/C(C)=C/CN1CCC[C@H]1c1ccnn1C ZINC000932259885 640460881 /nfs/dbraw/zinc/46/08/81/640460881.db2.gz BFWYNMBAKFTPJJ-GMMCIKNFSA-N 0 1 249.358 2.150 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@H]1c1ccnn1C ZINC000932265474 640465946 /nfs/dbraw/zinc/46/59/46/640465946.db2.gz QGNSPQDJAVJKGK-ZDUSSCGKSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@@H]1CC[C@@H](CN[C@@H](c2ncccn2)C2CC2)O1 ZINC000932352075 640494833 /nfs/dbraw/zinc/49/48/33/640494833.db2.gz FGNQFLRLQMBJHI-KGYLQXTDSA-N 0 1 247.342 2.085 20 0 BEADMN c1cnc([C@H](NCC[C@@H]2CCCO2)C2CC2)nc1 ZINC000932351986 640494973 /nfs/dbraw/zinc/49/49/73/640494973.db2.gz CCNWKAIBTWEJBP-QWHCGFSZSA-N 0 1 247.342 2.086 20 0 BEADMN C[C@](N)(C(=O)NCCC1CCC1)c1ccccc1 ZINC000156726362 640497149 /nfs/dbraw/zinc/49/71/49/640497149.db2.gz NEJVXHGYLGDBEB-OAHLLOKOSA-N 0 1 246.354 2.167 20 0 BEADMN CCOc1ccccc1-c1noc([C@@H](C)NC)n1 ZINC000156810364 640510023 /nfs/dbraw/zinc/51/00/23/640510023.db2.gz UADAPHITIYPIAI-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN CC(=O)NC1CN(CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001030040089 640533667 /nfs/dbraw/zinc/53/36/67/640533667.db2.gz NCHVPBQMUGAWHP-AAEUAGOBSA-N 0 1 238.375 2.023 20 0 BEADMN CCC(=O)NC1CN(CCC2CCCCC2)C1 ZINC001030041000 640536007 /nfs/dbraw/zinc/53/60/07/640536007.db2.gz CKDYNRLSIKLUPI-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000932500010 640559719 /nfs/dbraw/zinc/55/97/19/640559719.db2.gz WNSLADDXYWUBAU-KOLCDFICSA-N 0 1 248.282 2.059 20 0 BEADMN CCN1CCn2nc(C(C)(C)C)cc2C1 ZINC000932613715 640586021 /nfs/dbraw/zinc/58/60/21/640586021.db2.gz UAZYLQPZHPXCAP-UHFFFAOYSA-N 0 1 207.321 2.016 20 0 BEADMN O=C(C=C1CCCCC1)NC1CN(CC2CC2)C1 ZINC001030137621 640627754 /nfs/dbraw/zinc/62/77/54/640627754.db2.gz HWWAXRMVGJRGCR-UHFFFAOYSA-N 0 1 248.370 2.087 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C[C@@H]1CCSC1 ZINC000224701361 640633890 /nfs/dbraw/zinc/63/38/90/640633890.db2.gz DIMWQQRKWDHODH-QWRGUYRKSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccco1)c1ccoc1 ZINC000166553238 640647589 /nfs/dbraw/zinc/64/75/89/640647589.db2.gz MERRXXLBGSDLDP-MWLCHTKSSA-N 0 1 221.256 2.257 20 0 BEADMN CCN([C@@H]1C=CCCC1)C(C)(C)C(=O)OC ZINC000933190952 640677721 /nfs/dbraw/zinc/67/77/21/640677721.db2.gz QPAFYPUCBQUISB-LLVKDONJSA-N 0 1 225.332 2.369 20 0 BEADMN CCC(=O)CCCN1CCOC[C@@H]1CC1CC1 ZINC000933208178 640679446 /nfs/dbraw/zinc/67/94/46/640679446.db2.gz FLDICXIZMOZHMM-ZDUSSCGKSA-N 0 1 239.359 2.247 20 0 BEADMN C(C1CC1)[C@@H]1COCCN1C[C@@H]1CCCCO1 ZINC000933209740 640680868 /nfs/dbraw/zinc/68/08/68/640680868.db2.gz HBKSKHQGVIPTKF-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN CCn1cnc2c1CCN([C@@H](C)C1CC1)C2 ZINC000933253773 640690155 /nfs/dbraw/zinc/69/01/55/640690155.db2.gz SFXJLKUEUNYLCW-JTQLQIEISA-N 0 1 219.332 2.060 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@H]2CC2(C)C)n1 ZINC000225434670 640691783 /nfs/dbraw/zinc/69/17/83/640691783.db2.gz ARGMCCBKBNGJNJ-HTQZYQBOSA-N 0 1 209.293 2.239 20 0 BEADMN CC(C)SCCN(C)Cc1cccc(=O)[nH]1 ZINC000933401084 640715474 /nfs/dbraw/zinc/71/54/74/640715474.db2.gz DZSHLBNDXCWEHF-UHFFFAOYSA-N 0 1 240.372 2.361 20 0 BEADMN CC(C)=CCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933672007 640741445 /nfs/dbraw/zinc/74/14/45/640741445.db2.gz OEQNMTLEGAZVRI-ZIAGYGMSSA-N 0 1 239.359 2.223 20 0 BEADMN C[C@]12C[N@@H+](Cc3ncc[nH]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707426 640749660 /nfs/dbraw/zinc/74/96/60/640749660.db2.gz YYNMNCKPMNNPPH-KZVDOYCCSA-N 0 1 229.327 2.054 20 0 BEADMN Cn1ccc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n1 ZINC000933706215 640749893 /nfs/dbraw/zinc/74/98/93/640749893.db2.gz RWTCCCJTVIMYND-OSRDXIQISA-N 0 1 245.370 2.288 20 0 BEADMN C[C@]12C[N@@H+](CCCC(=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709966 640751323 /nfs/dbraw/zinc/75/13/23/640751323.db2.gz ZCMIJVDAXMYGPQ-KZVDOYCCSA-N 0 1 237.343 2.219 20 0 BEADMN CCC(CC)CN1CC(NC(=O)C2(C)CC2)C1 ZINC001030352735 640782457 /nfs/dbraw/zinc/78/24/57/640782457.db2.gz YTRVWAVMIQTCHN-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ncccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000933924771 640790756 /nfs/dbraw/zinc/79/07/56/640790756.db2.gz YSNDXHIERGIPNI-CYBMUJFWSA-N 0 1 247.342 2.201 20 0 BEADMN CC[C@H](C)[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000226870378 640802799 /nfs/dbraw/zinc/80/27/99/640802799.db2.gz XFHRJKWXNKPSJH-JQWIXIFHSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)C[C@@H]1C[C@H]1C ZINC000226977399 640807535 /nfs/dbraw/zinc/80/75/35/640807535.db2.gz UMQFHJUCKPJQMO-SCZZXKLOSA-N 0 1 241.766 2.470 20 0 BEADMN CC[C@H]1COCCN1CC[C@@H](O)c1ccccc1 ZINC000227062427 640813292 /nfs/dbraw/zinc/81/32/92/640813292.db2.gz GSHXPHPGGDFCSR-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@](CO)(NC/C=C/Cl)c1ccccc1 ZINC000227530834 640838043 /nfs/dbraw/zinc/83/80/43/640838043.db2.gz DPRWCVKAKUBZMV-ZCRIDZFUSA-N 0 1 225.719 2.236 20 0 BEADMN COCCc1ccccc1NCc1cnc[nH]1 ZINC000228045517 640857678 /nfs/dbraw/zinc/85/76/78/640857678.db2.gz DCLAUIZNGZHNDX-UHFFFAOYSA-N 0 1 231.299 2.211 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000228613142 640885872 /nfs/dbraw/zinc/88/58/72/640885872.db2.gz YXTMNSFHEPBLAT-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@H](NCc1ccncc1)c1cncs1 ZINC000229111463 640925617 /nfs/dbraw/zinc/92/56/17/640925617.db2.gz OSOBTKOPHXJMJD-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000170986138 640946820 /nfs/dbraw/zinc/94/68/20/640946820.db2.gz OSBSJRZTDCUMEQ-LBPRGKRZSA-N 0 1 235.327 2.460 20 0 BEADMN CC[C@H](C)N(C)CC(=O)OCc1ccccc1 ZINC000170986138 640946824 /nfs/dbraw/zinc/94/68/24/640946824.db2.gz OSBSJRZTDCUMEQ-LBPRGKRZSA-N 0 1 235.327 2.460 20 0 BEADMN CC1(C)CC[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000087773683 641025200 /nfs/dbraw/zinc/02/52/00/641025200.db2.gz KCYDNLAHPNADLN-VHSXEESVSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)sc1C ZINC000087791028 641045527 /nfs/dbraw/zinc/04/55/27/641045527.db2.gz DROAQPGQLOSHQX-MXWKQRLJSA-N 0 1 238.356 2.169 20 0 BEADMN CCCN[C@@H](C)c1nc([C@H]2CCCOC2)no1 ZINC000087815807 641053563 /nfs/dbraw/zinc/05/35/63/641053563.db2.gz JPSHNCZEJTVBSQ-UWVGGRQHSA-N 0 1 239.319 2.024 20 0 BEADMN CCCN[C@@H](C)c1nc([C@@H]2CCCOC2)no1 ZINC000087815805 641054171 /nfs/dbraw/zinc/05/41/71/641054171.db2.gz JPSHNCZEJTVBSQ-VHSXEESVSA-N 0 1 239.319 2.024 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1scnc1C ZINC000934111166 641074773 /nfs/dbraw/zinc/07/47/73/641074773.db2.gz LTJDFRSCODOFSD-ZJUUUORDSA-N 0 1 226.345 2.061 20 0 BEADMN Cc1ccc([C@H](C)NC2COC(C)(C)OC2)o1 ZINC000230681380 641082994 /nfs/dbraw/zinc/08/29/94/641082994.db2.gz MHYUAJOQTNQZNA-JTQLQIEISA-N 0 1 239.315 2.390 20 0 BEADMN C[C@@H](Cc1cccnc1)NCc1cscn1 ZINC000934241670 641113002 /nfs/dbraw/zinc/11/30/02/641113002.db2.gz UIIXJFGOCKRLNC-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN C(c1noc(CN2C[C@@H]3C[C@H]2CCC3)n1)C1CC1 ZINC000934376188 641134375 /nfs/dbraw/zinc/13/43/75/641134375.db2.gz XMEYIYHZZJKMQU-NWDGAFQWSA-N 0 1 247.342 2.397 20 0 BEADMN CC(C)C1CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC000172955706 641136051 /nfs/dbraw/zinc/13/60/51/641136051.db2.gz MHNQZKISUSBTTL-LBPRGKRZSA-N 0 1 238.375 2.180 20 0 BEADMN c1csc(CN[C@H]2CCOC23CCCC3)n1 ZINC000934386274 641138437 /nfs/dbraw/zinc/13/84/37/641138437.db2.gz WMYPBMKNTBDYII-JTQLQIEISA-N 0 1 238.356 2.334 20 0 BEADMN c1csc(CN[C@@H]2CCOC23CCCC3)n1 ZINC000934386275 641139342 /nfs/dbraw/zinc/13/93/42/641139342.db2.gz WMYPBMKNTBDYII-SNVBAGLBSA-N 0 1 238.356 2.334 20 0 BEADMN CN(Cc1cnc(Cl)cn1)[C@@H]1CCSC1 ZINC000231276460 641151004 /nfs/dbraw/zinc/15/10/04/641151004.db2.gz LMEFFWXDOLYQCF-SECBINFHSA-N 0 1 243.763 2.067 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000932973130 641169320 /nfs/dbraw/zinc/16/93/20/641169320.db2.gz WXPIRRZAYIAWGC-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](O)[C@@H](F)C2)C1 ZINC000934571098 641201551 /nfs/dbraw/zinc/20/15/51/641201551.db2.gz ORCVCVBBKJURDO-VOAKCMCISA-N 0 1 229.339 2.217 20 0 BEADMN CC(C)(C)CCCN1CC[C@@H](O)[C@H](F)C1 ZINC000934571853 641202965 /nfs/dbraw/zinc/20/29/65/641202965.db2.gz GWJQLXZJRQATOU-GHMZBOCLSA-N 0 1 217.328 2.217 20 0 BEADMN Cc1ccccc1[C@H](C)N1CC[C@@H](O)[C@H](F)C1 ZINC000934573448 641203791 /nfs/dbraw/zinc/20/37/91/641203791.db2.gz BWZMLIOGKPNROU-IACUBPJLSA-N 0 1 237.318 2.461 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@@H](O)[C@H](F)C2)c1 ZINC000934573470 641203864 /nfs/dbraw/zinc/20/38/64/641203864.db2.gz GLZUXDDAAKLXLN-IACUBPJLSA-N 0 1 237.318 2.461 20 0 BEADMN CC(C)(C)CCCN1CC[C@H](O)[C@@H](F)C1 ZINC000934571855 641204716 /nfs/dbraw/zinc/20/47/16/641204716.db2.gz GWJQLXZJRQATOU-QWRGUYRKSA-N 0 1 217.328 2.217 20 0 BEADMN C[C@H](CN1CC[C@H](O)[C@H](F)C1)c1ccccc1 ZINC000934572706 641205130 /nfs/dbraw/zinc/20/51/30/641205130.db2.gz BOUWXZMRCRBSEV-BNOWGMLFSA-N 0 1 237.318 2.195 20 0 BEADMN O[C@@H]1CCN([C@H]2CCCc3ccccc32)C[C@H]1F ZINC000934576940 641208142 /nfs/dbraw/zinc/20/81/42/641208142.db2.gz SWQFEWBCSAFWRU-QLFBSQMISA-N 0 1 249.329 2.469 20 0 BEADMN CSCC(C)(C)NCc1nnc(C)s1 ZINC000934663850 641236781 /nfs/dbraw/zinc/23/67/81/641236781.db2.gz OECWRQWMNJNICR-UHFFFAOYSA-N 0 1 231.390 2.078 20 0 BEADMN CSCC(C)(C)NCc1cc2n(n1)CCC2 ZINC000934664183 641238145 /nfs/dbraw/zinc/23/81/45/641238145.db2.gz PRKNWRHGGBXAQG-UHFFFAOYSA-N 0 1 239.388 2.061 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000174080650 641238579 /nfs/dbraw/zinc/23/85/79/641238579.db2.gz ULJHMNJCBCIOAG-QWHCGFSZSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1cc(CN2C[C@@H]3CSC[C@]3(C)C2)no1 ZINC000934767110 641259114 /nfs/dbraw/zinc/25/91/14/641259114.db2.gz PHPIFEDSQHCJPU-PWSUYJOCSA-N 0 1 238.356 2.168 20 0 BEADMN C[C@H](c1ncccn1)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766136 641261073 /nfs/dbraw/zinc/26/10/73/641261073.db2.gz BZASTZUARLEKKR-WZRBSPASSA-N 0 1 249.383 2.223 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CCC[C@@H]1C ZINC000174421192 641284216 /nfs/dbraw/zinc/28/42/16/641284216.db2.gz DKIGXJYACKHGNH-QWRGUYRKSA-N 0 1 213.321 2.203 20 0 BEADMN CCOC(=O)/C=C\CN1CC[C@@H](c2ccco2)C1 ZINC000929619701 641377764 /nfs/dbraw/zinc/37/77/64/641377764.db2.gz OFXUULCDWHVIBU-GCLPIYDQSA-N 0 1 249.310 2.188 20 0 BEADMN Cc1nc(C)c(CN2CCS[C@@H](C)[C@H]2C)[nH]1 ZINC000929674324 641391908 /nfs/dbraw/zinc/39/19/08/641391908.db2.gz GQYKSQUQCCWUOE-ZJUUUORDSA-N 0 1 239.388 2.352 20 0 BEADMN CCN(CC(F)F)C(=O)c1cccc(F)c1O ZINC000935371228 641395923 /nfs/dbraw/zinc/39/59/23/641395923.db2.gz ZYPWOQLLASWLEO-UHFFFAOYSA-N 0 1 247.216 2.259 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccco2)C1 ZINC000232754128 641418877 /nfs/dbraw/zinc/41/88/77/641418877.db2.gz QZTDLMYHESKALX-ZDUSSCGKSA-N 0 1 237.299 2.212 20 0 BEADMN O=C(NC12CCN(CC1)C2)[C@H]1CCC=CCCC1 ZINC000913636922 641439004 /nfs/dbraw/zinc/43/90/04/641439004.db2.gz ZUDJLOAKVOBATR-ZDUSSCGKSA-N 0 1 248.370 2.087 20 0 BEADMN CC1(C)CN(C(=O)c2cccc(F)c2O)C1 ZINC000935714421 641466444 /nfs/dbraw/zinc/46/64/44/641466444.db2.gz BKICSCQMRNDQGL-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@H](CN(C)C(=O)Cc1c[nH]cn1)C(C)(C)C ZINC000913805561 641481220 /nfs/dbraw/zinc/48/12/20/641481220.db2.gz RZIVTKJKULXSPR-SNVBAGLBSA-N 0 1 237.347 2.093 20 0 BEADMN C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)C(C)(C)C ZINC000913805560 641481751 /nfs/dbraw/zinc/48/17/51/641481751.db2.gz RZIVTKJKULXSPR-JTQLQIEISA-N 0 1 237.347 2.093 20 0 BEADMN O=C(NC1(C(F)F)CC1)c1cccc(F)c1O ZINC000935839041 641494985 /nfs/dbraw/zinc/49/49/85/641494985.db2.gz YKZPFTMFTRTNBX-UHFFFAOYSA-N 0 1 245.200 2.059 20 0 BEADMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000043585264 641568975 /nfs/dbraw/zinc/56/89/75/641568975.db2.gz YLAWTFJEIHBEFD-LBPRGKRZSA-N 0 1 248.326 2.158 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ncsc1C1CC1 ZINC000914121667 641574905 /nfs/dbraw/zinc/57/49/05/641574905.db2.gz QHRJDKKWLACKKR-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000158208376 641629099 /nfs/dbraw/zinc/62/90/99/641629099.db2.gz KTLNCGUYSMFDFQ-RYUDHWBXSA-N 0 1 227.348 2.450 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CCCC ZINC000158230921 641629976 /nfs/dbraw/zinc/62/99/76/641629976.db2.gz NVDGOVGQKMJWOP-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN COC(C)(C)CNCc1nc(C)c(C)s1 ZINC000159042469 641661944 /nfs/dbraw/zinc/66/19/44/641661944.db2.gz ZHSIIEFPEVAYMN-UHFFFAOYSA-N 0 1 228.361 2.275 20 0 BEADMN CCOCCCN(C)Cc1c(C)noc1C ZINC000159110009 641665417 /nfs/dbraw/zinc/66/54/17/641665417.db2.gz QWOPYWWMFBJRHP-UHFFFAOYSA-N 0 1 226.320 2.150 20 0 BEADMN C[N@H+](CC(=O)[O-])CC1C2CC3CC(C2)CC1C3 ZINC000216350790 641713309 /nfs/dbraw/zinc/71/33/09/641713309.db2.gz WZWXYGXVIJBODF-UHFFFAOYSA-N 0 1 237.343 2.075 20 0 BEADMN CCc1cccc(C)c1NC(=O)Cc1cnc[nH]1 ZINC000074673477 641718737 /nfs/dbraw/zinc/71/87/37/641718737.db2.gz QABBGZWWBPVDRA-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN C[C@@H](N(C)CN1CCSC1=O)C(C)(C)C ZINC000914568460 641736812 /nfs/dbraw/zinc/73/68/12/641736812.db2.gz KFMDSMJQYICXOC-SECBINFHSA-N 0 1 230.377 2.479 20 0 BEADMN CCCCCC[C@H](C)C(=O)N1CCN[C@H](C)C1 ZINC000188429408 641757301 /nfs/dbraw/zinc/75/73/01/641757301.db2.gz OSDAHASKTXYJTP-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1ccc(N(C)C(=O)CCc2cnc[nH]2)cc1 ZINC000188846631 641770256 /nfs/dbraw/zinc/77/02/56/641770256.db2.gz FTYANWWYZOCHDU-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CN1CCCC1 ZINC000915216378 641809529 /nfs/dbraw/zinc/80/95/29/641809529.db2.gz HOHMPWUEVIGAJS-IMRBUKKESA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC000915216408 641810380 /nfs/dbraw/zinc/81/03/80/641810380.db2.gz IRAPEXQPDNLCDA-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1nc(CNC[C@H]2CCC=CO2)cs1 ZINC000189558267 641810732 /nfs/dbraw/zinc/81/07/32/641810732.db2.gz TXRCQIDIKHZOPY-LLVKDONJSA-N 0 1 238.356 2.488 20 0 BEADMN CCN1C(=O)N=NC1SC1CC2(CCC2)C1 ZINC000916098949 641902932 /nfs/dbraw/zinc/90/29/32/641902932.db2.gz UXNSJCINJYBFFN-UHFFFAOYSA-N 0 1 239.344 2.428 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc2c(c1)CCC2 ZINC000916154127 641912684 /nfs/dbraw/zinc/91/26/84/641912684.db2.gz YAOPZIFBOWOPMI-LBPRGKRZSA-N 0 1 246.335 2.142 20 0 BEADMN CCc1nnc(SCCCc2cccnc2)[nH]1 ZINC000916515312 641941475 /nfs/dbraw/zinc/94/14/75/641941475.db2.gz JYDOBLAIHOPCQW-UHFFFAOYSA-N 0 1 248.355 2.487 20 0 BEADMN CCc1n[nH]c(SCCCc2cccnc2)n1 ZINC000916515312 641941482 /nfs/dbraw/zinc/94/14/82/641941482.db2.gz JYDOBLAIHOPCQW-UHFFFAOYSA-N 0 1 248.355 2.487 20 0 BEADMN CC(C)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000917128120 642018759 /nfs/dbraw/zinc/01/87/59/642018759.db2.gz RAXUVWUDCPXFQY-UHFFFAOYSA-N 0 1 236.300 2.128 20 0 BEADMN CCOC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000154714989 642192241 /nfs/dbraw/zinc/19/22/41/642192241.db2.gz FJVXGGQOIOASOD-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN Cc1nc(CSc2cc(C)ccn2)n[nH]1 ZINC000918816676 642272670 /nfs/dbraw/zinc/27/26/70/642272670.db2.gz ZZTWIGYVJLGKKI-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCC(C)(C)C(C)C ZINC000919277095 642321469 /nfs/dbraw/zinc/32/14/69/642321469.db2.gz KVUJADQEFRFMDP-SECBINFHSA-N 0 1 228.361 2.276 20 0 BEADMN C[C@@H](NCC(C)(C)C[C@H](C)O)c1ncco1 ZINC000925464056 642329516 /nfs/dbraw/zinc/32/95/16/642329516.db2.gz FEFHFCWCIVDIJB-VHSXEESVSA-N 0 1 226.320 2.122 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933166576 642369648 /nfs/dbraw/zinc/36/96/48/642369648.db2.gz LXUXJKCBQQBVQW-CZXHOFHRSA-N 0 1 237.343 2.060 20 0 BEADMN C=C/C=C/CCN(CC)C(C)(C)C(=O)OC ZINC000933185283 642375447 /nfs/dbraw/zinc/37/54/47/642375447.db2.gz MWPSULYTPNGHGI-CMDGGOBGSA-N 0 1 225.332 2.392 20 0 BEADMN C=C/C=C\CCN(CC)C(C)(C)C(=O)OC ZINC000933185284 642375744 /nfs/dbraw/zinc/37/57/44/642375744.db2.gz MWPSULYTPNGHGI-HJWRWDBZSA-N 0 1 225.332 2.392 20 0 BEADMN Cc1ccc(F)cc1NC(=O)CCc1cnc[nH]1 ZINC000188410863 642386234 /nfs/dbraw/zinc/38/62/34/642386234.db2.gz ZFXZYFFUXJVWSJ-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN Cc1nonc1CNCCC1CCCCC1 ZINC000069794881 642411164 /nfs/dbraw/zinc/41/11/64/642411164.db2.gz PVIXUIFURJDIDS-UHFFFAOYSA-N 0 1 223.320 2.438 20 0 BEADMN CCN(CC)Cc1cc(Br)nn1C ZINC000308225392 642514641 /nfs/dbraw/zinc/51/46/41/642514641.db2.gz MRQHZVQMUXIFLK-UHFFFAOYSA-N 0 1 246.152 2.024 20 0 BEADMN c1nn(C2CCC2)cc1CNCc1cccnc1 ZINC000921472519 642630180 /nfs/dbraw/zinc/63/01/80/642630180.db2.gz IVIAMSJOPULHEI-UHFFFAOYSA-N 0 1 242.326 2.293 20 0 BEADMN C[C@@H]1CCN(Cn2cc[nH]c2=S)[C@@H]1C ZINC000174957942 642642934 /nfs/dbraw/zinc/64/29/34/642642934.db2.gz GUBIHNZNKYTRGR-RKDXNWHRSA-N 0 1 211.334 2.233 20 0 BEADMN C[C@@H]1CCN(Cn2cccnc2=S)[C@@H]1C ZINC000174958409 642644016 /nfs/dbraw/zinc/64/40/16/642644016.db2.gz VCPBCRVHVLPFMH-NXEZZACHSA-N 0 1 223.345 2.300 20 0 BEADMN COCCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000651666392 642771011 /nfs/dbraw/zinc/77/10/11/642771011.db2.gz AFXCRNHRZOSVAD-UHFFFAOYSA-N 0 1 247.342 2.194 20 0 BEADMN COCCNCc1nc(C(C)C)n2ccccc12 ZINC000651666392 642771018 /nfs/dbraw/zinc/77/10/18/642771018.db2.gz AFXCRNHRZOSVAD-UHFFFAOYSA-N 0 1 247.342 2.194 20 0 BEADMN CN(CCc1ccccc1F)Cc1ccno1 ZINC000068864424 642804122 /nfs/dbraw/zinc/80/41/22/642804122.db2.gz CCRSTRHUXUQZGL-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN O=C(OC1CCCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000069040848 642822889 /nfs/dbraw/zinc/82/28/89/642822889.db2.gz WMVNNEGXOJTXMG-GHMZBOCLSA-N 0 1 241.287 2.308 20 0 BEADMN CC[C@@H](C)CN(C)CC(=O)OCC(C)C ZINC000181455670 642873814 /nfs/dbraw/zinc/87/38/14/642873814.db2.gz CRFGEKLYRFAVJF-LLVKDONJSA-N 0 1 215.337 2.164 20 0 BEADMN CCC1CCC(NCc2nonc2C)CC1 ZINC000069794985 642907076 /nfs/dbraw/zinc/90/70/76/642907076.db2.gz VMNWUWUAEHRJKS-UHFFFAOYSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nonc1CN[C@@H](C)CCC(C)C ZINC000069795284 642908422 /nfs/dbraw/zinc/90/84/22/642908422.db2.gz MAPMOUMCGREUMA-VIFPVBQESA-N 0 1 211.309 2.292 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccoc2)no1 ZINC000069946080 642941035 /nfs/dbraw/zinc/94/10/35/642941035.db2.gz DCEARNYFDPGMGG-QMMMGPOBSA-N 0 1 207.233 2.000 20 0 BEADMN CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001017353270 642973274 /nfs/dbraw/zinc/97/32/74/642973274.db2.gz CAKVEZCQGJBOCY-UPJWGTAASA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nonc1CN[C@@H](C)CCc1ccco1 ZINC000070261774 643007326 /nfs/dbraw/zinc/00/73/26/643007326.db2.gz KRUXYROBYMQESH-VIFPVBQESA-N 0 1 235.287 2.082 20 0 BEADMN C[C@@H](Cc1ccco1)N[C@@H](C)c1nccn1C ZINC000070444214 643027211 /nfs/dbraw/zinc/02/72/11/643027211.db2.gz ZNARNNVHGGFMKK-QWRGUYRKSA-N 0 1 233.315 2.295 20 0 BEADMN Cc1nonc1CNC1CCC(C)(C)CC1 ZINC000070623412 643048286 /nfs/dbraw/zinc/04/82/86/643048286.db2.gz BILZVUOBECDIKR-UHFFFAOYSA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCCCCCO ZINC000175741707 643152986 /nfs/dbraw/zinc/15/29/86/643152986.db2.gz UWRCYHFDBRHILV-CYBMUJFWSA-N 0 1 236.359 2.417 20 0 BEADMN Cc1cc(C)cc(-n2cc(CNC3CC3)nn2)c1 ZINC000090299570 643156170 /nfs/dbraw/zinc/15/61/70/643156170.db2.gz BUTDRHUPPILHTB-UHFFFAOYSA-N 0 1 242.326 2.136 20 0 BEADMN Clc1cc(CN2C[C@@H]3C[C@@H]3C2)ccn1 ZINC000306645576 643210711 /nfs/dbraw/zinc/21/07/11/643210711.db2.gz CKLXAOPOOJOYGK-AOOOYVTPSA-N 0 1 208.692 2.187 20 0 BEADMN CCCCCCN1CCN(C(=O)C2CC2)CC1 ZINC000072978835 643215686 /nfs/dbraw/zinc/21/56/86/643215686.db2.gz YHSAEPVQUFAKAN-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN S=C1SCCN1CN1CCCC2(CC2)C1 ZINC000184872205 643248023 /nfs/dbraw/zinc/24/80/23/643248023.db2.gz HFDQADJBXBLVLP-UHFFFAOYSA-N 0 1 242.413 2.154 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2CCO[C@H](C)C2)n1 ZINC000075951725 643254912 /nfs/dbraw/zinc/25/49/12/643254912.db2.gz GEAXJKSWTGNMOH-BBBLOLIVSA-N 0 1 239.319 2.008 20 0 BEADMN CC(C)=CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000082256735 643286502 /nfs/dbraw/zinc/28/65/02/643286502.db2.gz OBJPWTUSHGEEBH-UHFFFAOYSA-N 0 1 215.256 2.468 20 0 BEADMN Cc1cc(CNc2ccnc(C(C)C)n2)n[nH]1 ZINC000733302715 643324351 /nfs/dbraw/zinc/32/43/51/643324351.db2.gz MIRASEAIJGDNHO-UHFFFAOYSA-N 0 1 231.303 2.244 20 0 BEADMN CC(C)Oc1ccccc1CNCc1cnc[nH]1 ZINC000112342007 643333377 /nfs/dbraw/zinc/33/33/77/643333377.db2.gz VKKUNCWCBFLVGB-UHFFFAOYSA-N 0 1 245.326 2.487 20 0 BEADMN Cc1cc(C)c(C[N@@H+](C)CC(=O)[O-])cc1C ZINC000082544350 643340994 /nfs/dbraw/zinc/34/09/94/643340994.db2.gz STVCSCXBEZGMHC-UHFFFAOYSA-N 0 1 221.300 2.128 20 0 BEADMN CS/C=C/C(=O)NCc1nc2ccccc2[nH]1 ZINC000083088944 643410006 /nfs/dbraw/zinc/41/00/06/643410006.db2.gz OQQSOVWQPOJUIF-VOTSOKGWSA-N 0 1 247.323 2.056 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CC[C@@H]2C)s1 ZINC000307266615 643426621 /nfs/dbraw/zinc/42/66/21/643426621.db2.gz DAAVWIYSLLTEFH-ACLDMZEESA-N 0 1 211.334 2.296 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000083414029 643448338 /nfs/dbraw/zinc/44/83/38/643448338.db2.gz FTHCJCKRXUWRLQ-SNVBAGLBSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)n[nH]1 ZINC000932786007 643479416 /nfs/dbraw/zinc/47/94/16/643479416.db2.gz BIGBPPAJGHWPFL-KYVBTAMFSA-N 0 1 247.342 2.017 20 0 BEADMN CC(C)[C@H](N)c1noc(Cc2cccc(F)c2)n1 ZINC000041123400 643493825 /nfs/dbraw/zinc/49/38/25/643493825.db2.gz BMTOROXGOXWCLM-LBPRGKRZSA-N 0 1 249.289 2.455 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1CCc1cccs1 ZINC000082602643 643516231 /nfs/dbraw/zinc/51/62/31/643516231.db2.gz UQAGDUMKVLBDPR-SNVBAGLBSA-N 0 1 239.340 2.230 20 0 BEADMN CC(C)N(CN1C(=O)C(C)(C)C1(C)C)C1CC1 ZINC000177681161 643528128 /nfs/dbraw/zinc/52/81/28/643528128.db2.gz QCNWPELSHPVIME-UHFFFAOYSA-N 0 1 238.375 2.464 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1sccc1C ZINC000083406426 643532331 /nfs/dbraw/zinc/53/23/31/643532331.db2.gz FTPHPZSDHCSUFI-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CCCCOC(=O)CN(C)C1CCCC1 ZINC000049956550 643570882 /nfs/dbraw/zinc/57/08/82/643570882.db2.gz BQOYRUFKFAALLO-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN CCC[N@@H+](CC)CCC(C)(C)C(=O)[O-] ZINC000083638401 643600673 /nfs/dbraw/zinc/60/06/73/643600673.db2.gz MUECTGMBVMHJLK-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccco1 ZINC000083638415 643600959 /nfs/dbraw/zinc/60/09/59/643600959.db2.gz XYSYOHRSNSPJFD-UHFFFAOYSA-N 0 1 225.288 2.212 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638430 643601229 /nfs/dbraw/zinc/60/12/29/643601229.db2.gz RUNNECJCCHZVLR-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1OC ZINC000050126778 643605993 /nfs/dbraw/zinc/60/59/93/643605993.db2.gz GOOQUHZCFKOQGO-UHFFFAOYSA-N 0 1 237.299 2.235 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000050126848 643628761 /nfs/dbraw/zinc/62/87/61/643628761.db2.gz ZRKCWDSJAROUPV-UHFFFAOYSA-N 0 1 249.310 2.235 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@@H](C)C[C@H]1C)C(=O)[O-] ZINC000084002954 643641294 /nfs/dbraw/zinc/64/12/94/643641294.db2.gz CBZOYMGQVWZUNH-XTDRBSRISA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1C[C@@H]1NCc1csc(-c2ccn(C)n2)n1 ZINC000921686215 643740176 /nfs/dbraw/zinc/74/01/76/643740176.db2.gz PFHAWXJKGCVGAM-KCJUWKMLSA-N 0 1 248.355 2.042 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@H]2CCCOC2)c1 ZINC000921706583 643759463 /nfs/dbraw/zinc/75/94/63/643759463.db2.gz YWFQRMVUBVJRRA-LLVKDONJSA-N 0 1 240.734 2.312 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1cnc(C)c(C)c1 ZINC000921879430 643815106 /nfs/dbraw/zinc/81/51/06/643815106.db2.gz VMLIKMNQKZIZDE-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2CCO[C@H]2C)c1 ZINC000921951298 643831811 /nfs/dbraw/zinc/83/18/11/643831811.db2.gz VFWOPLTYLZGLSY-ONGXEEELSA-N 0 1 240.734 2.310 20 0 BEADMN CO[C@H](C)CNCc1c(Cl)n[nH]c1C1CC1 ZINC000922039402 643851615 /nfs/dbraw/zinc/85/16/15/643851615.db2.gz OFVQQIBDSUKTTC-SSDOTTSWSA-N 0 1 243.738 2.065 20 0 BEADMN CCc1[nH]nc(Cl)c1CNC[C@@H](CC)OC ZINC000922137300 643870232 /nfs/dbraw/zinc/87/02/32/643870232.db2.gz NEBUFUIRNZACHY-MRVPVSSYSA-N 0 1 245.754 2.140 20 0 BEADMN CCO[C@H]1CCC[C@@H](NC(CF)CF)C1 ZINC000922150560 643873605 /nfs/dbraw/zinc/87/36/05/643873605.db2.gz AQVHCICHQRGFIL-KOLCDFICSA-N 0 1 221.291 2.231 20 0 BEADMN C/C=C(/C=C/C(=O)NC[C@@H]1CCN1CC)CC ZINC000922158159 643878370 /nfs/dbraw/zinc/87/83/70/643878370.db2.gz FEJRQBXJZJFDNG-ZWYGLXMZSA-N 0 1 236.359 2.109 20 0 BEADMN COCCN(C)Cc1cc(C)nc(Cl)c1 ZINC000320911712 643964664 /nfs/dbraw/zinc/96/46/64/643964664.db2.gz OTBRATWAXLZIGQ-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1cccs1 ZINC000086269936 643977075 /nfs/dbraw/zinc/97/70/75/643977075.db2.gz DDXQVTXARNURNR-KOLCDFICSA-N 0 1 239.340 2.086 20 0 BEADMN CN(C)c1ccnc(CNCc2ccsc2)c1 ZINC000922478634 644001106 /nfs/dbraw/zinc/00/11/06/644001106.db2.gz ARJQFEJEOOGRCG-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN Cc1cc(F)c(CNC[C@@H]2CCN2C)c(F)c1 ZINC000922575679 644029189 /nfs/dbraw/zinc/02/91/89/644029189.db2.gz DIQNCHZGSUBGSS-JTQLQIEISA-N 0 1 240.297 2.067 20 0 BEADMN Cn1cncc1CN[C@H](c1ccccn1)C1CC1 ZINC000922586436 644036813 /nfs/dbraw/zinc/03/68/13/644036813.db2.gz MQIYFGIVRWVHDI-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN CCC1(CC)CCN([C@@H]2CCOC2=O)CC1 ZINC000186553239 644039571 /nfs/dbraw/zinc/03/95/71/644039571.db2.gz BPMYNNCYHYCCKV-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cc(CNC(C)(C)/C=C\Cl)n(C)n1 ZINC000922646118 644051889 /nfs/dbraw/zinc/05/18/89/644051889.db2.gz ZBEDLIIZUKEFDS-WAYWQWQTSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1nn(C)cc1CNC(C)(C)/C=C\Cl ZINC000922648834 644052855 /nfs/dbraw/zinc/05/28/55/644052855.db2.gz RDXCPUBAOTWIIN-WAYWQWQTSA-N 0 1 227.739 2.349 20 0 BEADMN CC(C)c1cnc(CN[C@H]2COC[C@H]2C)s1 ZINC000922642087 644056267 /nfs/dbraw/zinc/05/62/67/644056267.db2.gz PDRPVFNDVPEBRJ-ZJUUUORDSA-N 0 1 240.372 2.391 20 0 BEADMN Cn1cc(CNC(C)(C)/C=C\Cl)cn1 ZINC000922650167 644057471 /nfs/dbraw/zinc/05/74/71/644057471.db2.gz MKQDOGBAJSXSDK-PLNGDYQASA-N 0 1 213.712 2.041 20 0 BEADMN CCC[C@H](O)CCNCc1csc(CC)n1 ZINC000922823780 644101259 /nfs/dbraw/zinc/10/12/59/644101259.db2.gz CWAKHLOEABGHHT-NSHDSACASA-N 0 1 242.388 2.346 20 0 BEADMN CCC[C@H](O)CCNCc1csc(C)n1 ZINC000922826342 644102422 /nfs/dbraw/zinc/10/24/22/644102422.db2.gz XSVLDXPGOTZCIS-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN CCC[C@@H](O)CCNCc1nc(C(C)C)c[nH]1 ZINC000922819838 644108233 /nfs/dbraw/zinc/10/82/33/644108233.db2.gz ZSWYZAYJNIXVBQ-LLVKDONJSA-N 0 1 239.363 2.174 20 0 BEADMN Cc1cc(CN[C@H]2CCS[C@@H](C)C2)no1 ZINC000922837208 644115091 /nfs/dbraw/zinc/11/50/91/644115091.db2.gz GAIQYRUEPRCANL-UWVGGRQHSA-N 0 1 226.345 2.357 20 0 BEADMN C[C@H](N[C@@H](C)c1ccncc1)c1ccnn1C ZINC000192246062 644141363 /nfs/dbraw/zinc/14/13/63/644141363.db2.gz AVOZQGMGZDIOHN-QWRGUYRKSA-N 0 1 230.315 2.227 20 0 BEADMN CC(C)C[C@@H](C)NCc1noc2c1COCC2 ZINC000923015311 644233589 /nfs/dbraw/zinc/23/35/89/644233589.db2.gz JAZZQLXTTQQRBX-SNVBAGLBSA-N 0 1 238.331 2.272 20 0 BEADMN c1cc(CNC2([C@H]3CCCCO3)CC2)sn1 ZINC000923027857 644235716 /nfs/dbraw/zinc/23/57/16/644235716.db2.gz JWSIHDSQROXAMZ-LLVKDONJSA-N 0 1 238.356 2.334 20 0 BEADMN Cc1nc(CNC2([C@@H]3CCCCO3)CC2)[nH]c1C ZINC000923027351 644238410 /nfs/dbraw/zinc/23/84/10/644238410.db2.gz ABJZPEWCTBZNIY-LBPRGKRZSA-N 0 1 249.358 2.218 20 0 BEADMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC(=O)[O-] ZINC000923273128 644307092 /nfs/dbraw/zinc/30/70/92/644307092.db2.gz SWHXORSWZWAZKJ-LBPRGKRZSA-N 0 1 233.311 2.339 20 0 BEADMN CCN(CC(C)C)Cn1cc(Cl)cn1 ZINC000194546865 644325081 /nfs/dbraw/zinc/32/50/81/644325081.db2.gz OKVPXKGCJDDANS-UHFFFAOYSA-N 0 1 215.728 2.472 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000083417415 644402597 /nfs/dbraw/zinc/40/25/97/644402597.db2.gz XKSQYEWASDVUKT-GFCCVEGCSA-N 0 1 239.340 2.496 20 0 BEADMN CC(C)CC[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000083403827 644404343 /nfs/dbraw/zinc/40/43/43/644404343.db2.gz CBHPZYGIOFKUOR-GHMZBOCLSA-N 0 1 213.321 2.360 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1sccc1C ZINC000083414632 644404423 /nfs/dbraw/zinc/40/44/23/644404423.db2.gz RVGFBUVBIUYWMI-VIFPVBQESA-N 0 1 227.329 2.352 20 0 BEADMN Cc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000085665086 644446684 /nfs/dbraw/zinc/44/66/84/644446684.db2.gz UJCHHMAEDFENQX-VWYCJHECSA-N 0 1 221.304 2.361 20 0 BEADMN C/C=C/C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000085999924 644453432 /nfs/dbraw/zinc/45/34/32/644453432.db2.gz KQBORUPJQKSYIG-RDNKVPPGSA-N 0 1 248.326 2.109 20 0 BEADMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000086809751 644471039 /nfs/dbraw/zinc/47/10/39/644471039.db2.gz CUKKVSSOCNBZBL-LLVKDONJSA-N 0 1 237.299 2.356 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000086775044 644471418 /nfs/dbraw/zinc/47/14/18/644471418.db2.gz GKSYQUDLZVXLQK-ONGXEEELSA-N 0 1 237.299 2.310 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000086775044 644471422 /nfs/dbraw/zinc/47/14/22/644471422.db2.gz GKSYQUDLZVXLQK-ONGXEEELSA-N 0 1 237.299 2.310 20 0 BEADMN Cc1cccc(C[N@@H+](CC(=O)[O-])C2CC2)c1C ZINC000086751422 644471903 /nfs/dbraw/zinc/47/19/03/644471903.db2.gz MZDDEPPQOFKGJG-UHFFFAOYSA-N 0 1 233.311 2.352 20 0 BEADMN CN[C@@H](C)c1nc(-c2cscc2C)no1 ZINC000087287770 644487214 /nfs/dbraw/zinc/48/72/14/644487214.db2.gz BJALPDYTMSYMFL-ZETCQYMHSA-N 0 1 223.301 2.387 20 0 BEADMN CC(=O)CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000087555895 644499001 /nfs/dbraw/zinc/49/90/01/644499001.db2.gz ZFASBZKZXVACQW-SECBINFHSA-N 0 1 223.238 2.240 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H](C)CC[C@H]1C ZINC000245448979 644526288 /nfs/dbraw/zinc/52/62/88/644526288.db2.gz NIMDMEWTGBDPDR-TUAOUCFPSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2[C@H](C)O)s1 ZINC000245545994 644532055 /nfs/dbraw/zinc/53/20/55/644532055.db2.gz VZLNYXGUDUNLGI-WDEREUQCSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC[C@@H](C)[C@H](C)C2)C1 ZINC000245742047 644539216 /nfs/dbraw/zinc/53/92/16/644539216.db2.gz LYJLQERAEPHRMS-JHJVBQTASA-N 0 1 238.375 2.180 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@@H](C)[C@H]1C ZINC000246769666 644606155 /nfs/dbraw/zinc/60/61/55/644606155.db2.gz OCHZWGARAYIDRA-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN Cn1cnc(CNC2CCCCCCC2)n1 ZINC000090970178 644609389 /nfs/dbraw/zinc/60/93/89/644609389.db2.gz XJFPRFBSRVTXLS-UHFFFAOYSA-N 0 1 222.336 2.018 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCC[C@H]1C ZINC000247075933 644621018 /nfs/dbraw/zinc/62/10/18/644621018.db2.gz WVNIZCXGAREHJS-GHMZBOCLSA-N 0 1 213.321 2.203 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC[C@@H](C)C2)C1 ZINC000247433516 644639116 /nfs/dbraw/zinc/63/91/16/644639116.db2.gz MHZXDFSCDAOPMQ-OLZOCXBDSA-N 0 1 238.375 2.324 20 0 BEADMN CO[C@H](CNCc1ccc(C)nc1)C(F)(F)F ZINC000764960184 644660380 /nfs/dbraw/zinc/66/03/80/644660380.db2.gz KUKJMNAHCDRPNK-SNVBAGLBSA-N 0 1 248.248 2.057 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC000092943560 644671991 /nfs/dbraw/zinc/67/19/91/644671991.db2.gz MNPJBINHYXQHGF-SCDSUCTJSA-N 0 1 245.322 2.469 20 0 BEADMN C[N@H+]1CCN(C/C(Cl)=C/Cl)C(C)(C)C1 ZINC000767009026 644672205 /nfs/dbraw/zinc/67/22/05/644672205.db2.gz SSDXGYOKVSZZGM-TWGQIWQCSA-N 0 1 237.174 2.331 20 0 BEADMN CN1CCN(C/C(Cl)=C/Cl)C(C)(C)C1 ZINC000767009026 644672213 /nfs/dbraw/zinc/67/22/13/644672213.db2.gz SSDXGYOKVSZZGM-TWGQIWQCSA-N 0 1 237.174 2.331 20 0 BEADMN CC(C)C[C@H](O)CN[C@H](C)c1nccs1 ZINC000093403395 644687995 /nfs/dbraw/zinc/68/79/95/644687995.db2.gz NAMUOKYLVUYXTI-ZJUUUORDSA-N 0 1 228.361 2.201 20 0 BEADMN CC(=O)OC1CCN(Cc2ccc(C)o2)CC1 ZINC000093453834 644692398 /nfs/dbraw/zinc/69/23/98/644692398.db2.gz NCWIYTDYRQZJIF-UHFFFAOYSA-N 0 1 237.299 2.116 20 0 BEADMN O=C(Cc1cccc(F)c1)NOc1ccccc1 ZINC000773465564 644692896 /nfs/dbraw/zinc/69/28/96/644692896.db2.gz GLEDWZSAEAWAPK-UHFFFAOYSA-N 0 1 245.253 2.478 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094525616 644719482 /nfs/dbraw/zinc/71/94/82/644719482.db2.gz NCWJOTXAZLPOFY-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C(C)C)C1 ZINC000781980221 644737035 /nfs/dbraw/zinc/73/70/35/644737035.db2.gz DTJNUGVPGAFIGD-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN CCCN[C@H](C)c1nc([C@@H]2C[C@H]2C)no1 ZINC000250407503 644758437 /nfs/dbraw/zinc/75/84/37/644758437.db2.gz JWDBQQDGQFAVDC-IWSPIJDZSA-N 0 1 209.293 2.254 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000251250571 644799003 /nfs/dbraw/zinc/79/90/03/644799003.db2.gz BPOOVIFNIAVNRQ-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1C[C@@H]1C(C)C)N(C)C ZINC000798855085 644825872 /nfs/dbraw/zinc/82/58/72/644825872.db2.gz MLOCUDRRCXSCNC-JHJVBQTASA-N 0 1 241.375 2.408 20 0 BEADMN C[C@@H](CNc1ncnc2[nH]cnc21)C(C)(C)C ZINC000096609830 644826101 /nfs/dbraw/zinc/82/61/01/644826101.db2.gz CLMPTLGIGQXREO-QMMMGPOBSA-N 0 1 233.319 2.447 20 0 BEADMN CC(=O)CCN1CCc2cc(F)cc(C)c2C1 ZINC000800472505 644834246 /nfs/dbraw/zinc/83/42/46/644834246.db2.gz QTPBITWURRYRGM-UHFFFAOYSA-N 0 1 235.302 2.471 20 0 BEADMN CCc1n[nH]c(SCOC2CCCC2)n1 ZINC000808019094 644869157 /nfs/dbraw/zinc/86/91/57/644869157.db2.gz TXJMNAQNOADMAP-UHFFFAOYSA-N 0 1 227.333 2.376 20 0 BEADMN CCc1nc(SCOC2CCCC2)n[nH]1 ZINC000808019094 644869161 /nfs/dbraw/zinc/86/91/61/644869161.db2.gz TXJMNAQNOADMAP-UHFFFAOYSA-N 0 1 227.333 2.376 20 0 BEADMN CC(C)N(CN1CC(C)(C)CC1=O)C1CC1 ZINC000808138183 644874215 /nfs/dbraw/zinc/87/42/15/644874215.db2.gz IXPDVHAYZHQLFB-UHFFFAOYSA-N 0 1 224.348 2.075 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2C3CCC2CC3)C1 ZINC000808136897 644874439 /nfs/dbraw/zinc/87/44/39/644874439.db2.gz KOJPGJJLHCJYBW-ORHYLEIMSA-N 0 1 236.359 2.219 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN2CCC(C)(C)C2)C1 ZINC000808165624 644875977 /nfs/dbraw/zinc/87/59/77/644875977.db2.gz QGAPTQTZRLOTJM-CQSZACIVSA-N 0 1 238.375 2.324 20 0 BEADMN O=C(NOCCC1CC1)[C@H]1Cc2ccc(F)cc21 ZINC000817399650 644976644 /nfs/dbraw/zinc/97/66/44/644976644.db2.gz VEJOKWGZFBSBCR-ZDUSSCGKSA-N 0 1 249.285 2.313 20 0 BEADMN C[C@H]1C[C@@H](NCCc2ccccc2)c2ncnn21 ZINC000826888565 645068624 /nfs/dbraw/zinc/06/86/24/645068624.db2.gz INRMZLKXNBDAAG-WCQYABFASA-N 0 1 242.326 2.116 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)C(C)=C(C)C ZINC000836946853 645182187 /nfs/dbraw/zinc/18/21/87/645182187.db2.gz DXROHECNUWVTLI-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H]1CC[C@@H](c2nc([C@H](N)C(C)C)no2)O1 ZINC000843153860 645269893 /nfs/dbraw/zinc/26/98/93/645269893.db2.gz WJPGMNOCOUKJFK-KXUCPTDWSA-N 0 1 239.319 2.356 20 0 BEADMN CCNCc1nc(-c2cccc(C)c2F)no1 ZINC000843227408 645275131 /nfs/dbraw/zinc/27/51/31/645275131.db2.gz RSCAPIBPSAIQBX-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CS[C@@H](C)C2)on1 ZINC000926581538 645299863 /nfs/dbraw/zinc/29/98/63/645299863.db2.gz DUOBWNZZRAWMSL-CIUDSAMLSA-N 0 1 242.344 2.228 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)C1(F)CC1 ZINC000843841703 645310311 /nfs/dbraw/zinc/31/03/11/645310311.db2.gz BQYZOOVJTLORNR-UHFFFAOYSA-N 0 1 229.638 2.486 20 0 BEADMN C[C@@H](N[C@@H]1CC12CC2)c1cn2c(n1)CCCC2 ZINC000926613256 645313776 /nfs/dbraw/zinc/31/37/76/645313776.db2.gz CHFNMIROUFAYDE-ZYHUDNBSSA-N 0 1 231.343 2.423 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)[C@@H](CC)CO1 ZINC000844387355 645326601 /nfs/dbraw/zinc/32/66/01/645326601.db2.gz QOZBMHJAYZOWKA-STQMWFEESA-N 0 1 241.375 2.491 20 0 BEADMN CCC[N@@H+](CN1C(=O)CC12CCCC2)C1CC1 ZINC000844691056 645344802 /nfs/dbraw/zinc/34/48/02/645344802.db2.gz FVCDXBWVUSTOJX-UHFFFAOYSA-N 0 1 236.359 2.363 20 0 BEADMN CCCN(CN1C(=O)CC12CCCC2)C1CC1 ZINC000844691056 645344806 /nfs/dbraw/zinc/34/48/06/645344806.db2.gz FVCDXBWVUSTOJX-UHFFFAOYSA-N 0 1 236.359 2.363 20 0 BEADMN CC[C@H](C)CCN[C@@H](C)c1nonc1C ZINC000926686394 645355132 /nfs/dbraw/zinc/35/51/32/645355132.db2.gz VXIAUCCEQGTHDV-IUCAKERBSA-N 0 1 211.309 2.465 20 0 BEADMN COc1cc([C@@H](C)N[C@H]2C=CCC2)on1 ZINC000926690174 645361124 /nfs/dbraw/zinc/36/11/24/645361124.db2.gz NOPWYJVNEJGBBK-BDAKNGLRSA-N 0 1 208.261 2.052 20 0 BEADMN C[C@H](NCCC(C)(C)F)c1ncco1 ZINC000926702375 645366521 /nfs/dbraw/zinc/36/65/21/645366521.db2.gz OXHCQAPSJGNYCO-QMMMGPOBSA-N 0 1 200.257 2.463 20 0 BEADMN O=C(/C=C/C1CCCCCC1)OCc1c[nH]nn1 ZINC000845563042 645366766 /nfs/dbraw/zinc/36/67/66/645366766.db2.gz CUMLBRLHQFTSPL-BQYQJAHWSA-N 0 1 249.314 2.375 20 0 BEADMN C[C@H]1C[C@@H](NCCCC2CCC2)c2ncnn21 ZINC000926704840 645369289 /nfs/dbraw/zinc/36/92/89/645369289.db2.gz LHVKKWGAYUEICG-CMPLNLGQSA-N 0 1 234.347 2.454 20 0 BEADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cn(C)cn1 ZINC000926718259 645380341 /nfs/dbraw/zinc/38/03/41/645380341.db2.gz LARIFHHIDPVUNR-SCZZXKLOSA-N 0 1 243.301 2.362 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@@]2(C)CC2(C)C)n1 ZINC000926722103 645383407 /nfs/dbraw/zinc/38/34/07/645383407.db2.gz RQXWTCYMWYBPLE-RNCFNFMXSA-N 0 1 236.363 2.446 20 0 BEADMN C[C@H]1C[C@@H](NCCCc2ccco2)c2ncnn21 ZINC000926728791 645390474 /nfs/dbraw/zinc/39/04/74/645390474.db2.gz SLEKCWCPAFURDA-CMPLNLGQSA-N 0 1 246.314 2.099 20 0 BEADMN C[C@@H](NC1CC(C)(C)C1)c1cc(CO)on1 ZINC000926733029 645393111 /nfs/dbraw/zinc/39/31/11/645393111.db2.gz KLXPMTNNSVEYLX-MRVPVSSYSA-N 0 1 224.304 2.006 20 0 BEADMN C[C@H](NC1CC(C)(C)C1)c1cc(CO)on1 ZINC000926733030 645393251 /nfs/dbraw/zinc/39/32/51/645393251.db2.gz KLXPMTNNSVEYLX-QMMMGPOBSA-N 0 1 224.304 2.006 20 0 BEADMN C/C=C\CN[C@H](C)c1cc(OC)ccn1 ZINC000926770946 645416547 /nfs/dbraw/zinc/41/65/47/645416547.db2.gz WVNJSZHTSSEZAL-UMCURTJPSA-N 0 1 206.289 2.317 20 0 BEADMN C/C=C/CN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926769738 645416560 /nfs/dbraw/zinc/41/65/60/645416560.db2.gz KBEIYPPFPHQRIU-UFFNRZRYSA-N 0 1 219.332 2.446 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000926770959 645417679 /nfs/dbraw/zinc/41/76/79/645417679.db2.gz XEXXXMDKDYCBPG-MGAJZRQESA-N 0 1 235.331 2.465 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1CCCS1 ZINC000926788678 645432213 /nfs/dbraw/zinc/43/22/13/645432213.db2.gz BFIGSJZLZUZTEQ-WPRPVWTQSA-N 0 1 241.360 2.314 20 0 BEADMN FC(F)[C@@H]1CN([C@H]2C[C@H]3C=C[C@@H]2CC3)CCO1 ZINC000926822175 645443426 /nfs/dbraw/zinc/44/34/26/645443426.db2.gz JFEGNFASEQNAJA-USZNOCQGSA-N 0 1 243.297 2.307 20 0 BEADMN C[C@@H](NCCC[C@H]1C=CCC1)c1cnn(C)n1 ZINC000926822374 645444092 /nfs/dbraw/zinc/44/40/92/645444092.db2.gz CIMHGIGQHALTKA-NEPJUHHUSA-N 0 1 234.347 2.212 20 0 BEADMN C=C/C=C\CCN[C@@H](C)c1nonc1C ZINC000926844310 645454370 /nfs/dbraw/zinc/45/43/70/645454370.db2.gz JSBVHSLHVSEEOQ-UDIARPCQSA-N 0 1 207.277 2.161 20 0 BEADMN C=C/C=C\CCN[C@H](C)c1nonc1C ZINC000926844308 645455670 /nfs/dbraw/zinc/45/56/70/645455670.db2.gz JSBVHSLHVSEEOQ-SSJHQANKSA-N 0 1 207.277 2.161 20 0 BEADMN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1cn(C)cn1 ZINC000926870388 645467159 /nfs/dbraw/zinc/46/71/59/645467159.db2.gz AWJQGRDDCOGHBD-NEPJUHHUSA-N 0 1 249.358 2.030 20 0 BEADMN C[C@H]1CN(C)c2ccccc2CN1CCF ZINC000857565792 645617425 /nfs/dbraw/zinc/61/74/25/645617425.db2.gz QTOALOHZTGKWES-NSHDSACASA-N 0 1 222.307 2.296 20 0 BEADMN CC(C)[C@@H](C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927703622 645641253 /nfs/dbraw/zinc/64/12/53/645641253.db2.gz LSJFJVWEWWMFDK-LLVKDONJSA-N 0 1 249.358 2.056 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCNC[C@H]1CCC ZINC000876796423 645786955 /nfs/dbraw/zinc/78/69/55/645786955.db2.gz DROUMIUKZXRHDX-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](NCc1nc(Cl)cs1)C1(CO)CC1 ZINC000877625502 645802041 /nfs/dbraw/zinc/80/20/41/645802041.db2.gz ORMQNXJUIDXIID-ZETCQYMHSA-N 0 1 246.763 2.047 20 0 BEADMN CN1CC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC000928553726 645810724 /nfs/dbraw/zinc/81/07/24/645810724.db2.gz FHQHCJYJAZMQJL-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCCC[C@H](C)C(=O)NC[C@@H]1CCN1C ZINC000928563502 645823125 /nfs/dbraw/zinc/82/31/25/645823125.db2.gz MPSGWOKRYOSMGP-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccn(C)n1 ZINC000878705343 645823510 /nfs/dbraw/zinc/82/35/10/645823510.db2.gz UXGKECQNVJYGMX-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN CC(C)c1ccc(C(=O)NC[C@H]2CCN2C)cc1 ZINC000928573493 645832933 /nfs/dbraw/zinc/83/29/33/645832933.db2.gz PRYAXZAMSKVBBS-CQSZACIVSA-N 0 1 246.354 2.244 20 0 BEADMN CC[C@H](CC(=O)NC[C@@H]1CCN1C)C(C)(C)C ZINC000928572036 645834235 /nfs/dbraw/zinc/83/42/35/645834235.db2.gz UYYCDHJKVCXTLV-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN F[C@H]1CCN(C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886223621 645884041 /nfs/dbraw/zinc/88/40/41/645884041.db2.gz OEZBJZZFWXFHJM-NWDGAFQWSA-N 0 1 227.323 2.380 20 0 BEADMN CCc1cnc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000886560202 645889028 /nfs/dbraw/zinc/88/90/28/645889028.db2.gz QVZJDCTYLKQOQY-AOOOYVTPSA-N 0 1 238.356 2.032 20 0 BEADMN CCc1cnc(CN2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000886560202 645889030 /nfs/dbraw/zinc/88/90/30/645889030.db2.gz QVZJDCTYLKQOQY-AOOOYVTPSA-N 0 1 238.356 2.032 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N(C)CCCSC ZINC000930317444 645951860 /nfs/dbraw/zinc/95/18/60/645951860.db2.gz AFFFKACVHBWUFC-WDEREUQCSA-N 0 1 247.404 2.259 20 0 BEADMN C[C@@H]1CCC[C@@H](c2noc(Cc3nnc[nH]3)n2)C1 ZINC000923862539 645960654 /nfs/dbraw/zinc/96/06/54/645960654.db2.gz XVOLXYTZDSVWGX-RKDXNWHRSA-N 0 1 247.302 2.072 20 0 BEADMN CCCCN(CC)Cc1nn(C)cc1C ZINC000929142971 645971716 /nfs/dbraw/zinc/97/17/16/645971716.db2.gz HRRCAOAYNYCKQC-UHFFFAOYSA-N 0 1 209.337 2.351 20 0 BEADMN CC(C)CNC(=O)c1cc(F)cc(F)c1O ZINC000929192732 645997375 /nfs/dbraw/zinc/99/73/75/645997375.db2.gz VAJREAJLMDNIQS-UHFFFAOYSA-N 0 1 229.226 2.056 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1noc2c1COCC2 ZINC000929200450 646001107 /nfs/dbraw/zinc/00/11/07/646001107.db2.gz IHTMRMXXRWCQKB-JTQLQIEISA-N 0 1 238.331 2.224 20 0 BEADMN CC(C)[C@H](C)N(C)Cc1noc2c1COCC2 ZINC000929200450 646001109 /nfs/dbraw/zinc/00/11/09/646001109.db2.gz IHTMRMXXRWCQKB-JTQLQIEISA-N 0 1 238.331 2.224 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@@H](C)C1 ZINC000929212134 646008949 /nfs/dbraw/zinc/00/89/49/646008949.db2.gz QILLECXUNFDRCR-GHMZBOCLSA-N 0 1 205.305 2.270 20 0 BEADMN COc1ccc(CN[C@H](C)c2ccnnc2)cc1 ZINC000924531626 646050090 /nfs/dbraw/zinc/05/00/90/646050090.db2.gz MMBWCKDADFLOAB-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN Cc1nonc1[C@H](C)NCCc1ccccc1 ZINC000924541442 646061001 /nfs/dbraw/zinc/06/10/01/646061001.db2.gz CEHBZVPYAALRJU-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN CCCCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000924542509 646061361 /nfs/dbraw/zinc/06/13/61/646061361.db2.gz NAXRMDPQIGBNPW-ZJUUUORDSA-N 0 1 208.309 2.064 20 0 BEADMN CCCCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000924542508 646062357 /nfs/dbraw/zinc/06/23/57/646062357.db2.gz NAXRMDPQIGBNPW-VHSXEESVSA-N 0 1 208.309 2.064 20 0 BEADMN CSCCN[C@H]1CCCc2oc(C)nc21 ZINC000924554099 646066054 /nfs/dbraw/zinc/06/60/54/646066054.db2.gz XFMSLAGIYDCXHA-VIFPVBQESA-N 0 1 226.345 2.313 20 0 BEADMN CSCCN[C@@H]1CCCc2oc(C)nc21 ZINC000924554098 646067142 /nfs/dbraw/zinc/06/71/42/646067142.db2.gz XFMSLAGIYDCXHA-SECBINFHSA-N 0 1 226.345 2.313 20 0 BEADMN Cc1cc(C)n(CCCN[C@@H](C)c2ncco2)n1 ZINC000924557803 646069512 /nfs/dbraw/zinc/06/95/12/646069512.db2.gz RWOWIBLAOYSATO-LBPRGKRZSA-N 0 1 248.330 2.229 20 0 BEADMN COC/C(C)=C/CN1CCOc2ccccc2C1 ZINC000929314378 646073803 /nfs/dbraw/zinc/07/38/03/646073803.db2.gz PTKJHRQGQVYECP-NTUHNPAUSA-N 0 1 247.338 2.474 20 0 BEADMN Cc1cc(CN[C@H](C)c2cnnn2C)ccc1F ZINC000924595063 646074231 /nfs/dbraw/zinc/07/42/31/646074231.db2.gz SGZCKASFHVTUIJ-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN C[C@@H]1C[C@@H](NCCc2ccsc2)c2ncnn21 ZINC000924604066 646074844 /nfs/dbraw/zinc/07/48/44/646074844.db2.gz YPOSRFXPBWVWMU-MWLCHTKSSA-N 0 1 248.355 2.178 20 0 BEADMN CC(C)CCCN[C@H](C)c1cc(CO)on1 ZINC000924604190 646075747 /nfs/dbraw/zinc/07/57/47/646075747.db2.gz QFZXJUYUDRRIKI-SNVBAGLBSA-N 0 1 226.320 2.254 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1ccsc1 ZINC000924605474 646077760 /nfs/dbraw/zinc/07/77/60/646077760.db2.gz GPBDNCQKPZVVDY-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1nncs1 ZINC000929348270 646089556 /nfs/dbraw/zinc/08/95/56/646089556.db2.gz OYDJCHSBEAEZPD-VIFPVBQESA-N 0 1 211.334 2.159 20 0 BEADMN CCOCCOCCN(C)[C@H](C)c1ccco1 ZINC000929370744 646101559 /nfs/dbraw/zinc/10/15/59/646101559.db2.gz RXPHNAYEOCRUHS-GFCCVEGCSA-N 0 1 241.331 2.326 20 0 BEADMN COC(=O)/C=C(/C)CN(C)[C@H](C)c1ccco1 ZINC000929369580 646102343 /nfs/dbraw/zinc/10/23/43/646102343.db2.gz CGHLWJYEBBBAOY-HIJJYWJESA-N 0 1 237.299 2.392 20 0 BEADMN C[C@H](NCCC(C)(C)C)c1cc(CO)on1 ZINC000924793296 646109017 /nfs/dbraw/zinc/10/90/17/646109017.db2.gz QHZTUXLFWRPTOG-VIFPVBQESA-N 0 1 226.320 2.254 20 0 BEADMN CCCCOCCN[C@H](C)c1cc(OC)no1 ZINC000924853768 646119507 /nfs/dbraw/zinc/11/95/07/646119507.db2.gz PTMFVRJOEGWDJN-SNVBAGLBSA-N 0 1 242.319 2.151 20 0 BEADMN CO[C@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929502322 646155144 /nfs/dbraw/zinc/15/51/44/646155144.db2.gz IUOHUDDHQUJSNZ-PWSUYJOCSA-N 0 1 238.306 2.393 20 0 BEADMN CSC[C@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925094861 646182787 /nfs/dbraw/zinc/18/27/87/646182787.db2.gz HYAKIQRHRPOZKC-VHSXEESVSA-N 0 1 242.392 2.261 20 0 BEADMN CCCC[C@H](COC)N[C@H](C)c1cn(C)cn1 ZINC000925096797 646184160 /nfs/dbraw/zinc/18/41/60/646184160.db2.gz PRLDTBWBYLKDBR-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@@H](COC)N[C@H]1CCCc2oc(C)nc21 ZINC000925109365 646186329 /nfs/dbraw/zinc/18/63/29/646186329.db2.gz CRPAUZSCMZPWGH-QWRGUYRKSA-N 0 1 238.331 2.375 20 0 BEADMN Cc1cc(CN[C@@H]2CCCc3oc(C)nc32)n[nH]1 ZINC000925104120 646186615 /nfs/dbraw/zinc/18/66/15/646186615.db2.gz RVDGYCFETJMYAE-LLVKDONJSA-N 0 1 246.314 2.182 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cc(O)cc(F)c2)[nH]n1 ZINC000925104783 646186992 /nfs/dbraw/zinc/18/69/92/646186992.db2.gz WZXHCXDVPMADDR-VIFPVBQESA-N 0 1 249.289 2.414 20 0 BEADMN CCc1cnc(CN[C@H](C)C(C)(C)CO)s1 ZINC000925165585 646200753 /nfs/dbraw/zinc/20/07/53/646200753.db2.gz TZIDUQGEPBRILU-SECBINFHSA-N 0 1 242.388 2.202 20 0 BEADMN CC(C)C[C@@H](CCO)CN[C@@H](C)c1ncco1 ZINC000925189089 646204412 /nfs/dbraw/zinc/20/44/12/646204412.db2.gz JZJKUMHHVUJEFH-NWDGAFQWSA-N 0 1 240.347 2.370 20 0 BEADMN CC1(C)CC2(CC(NCc3ccon3)C2)CO1 ZINC000925211537 646209586 /nfs/dbraw/zinc/20/95/86/646209586.db2.gz KUNFZVZVXZULLD-UHFFFAOYSA-N 0 1 236.315 2.112 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2CCCSC2)on1 ZINC000925218663 646211140 /nfs/dbraw/zinc/21/11/40/646211140.db2.gz NEYCEMFZISAKQJ-DTWKUNHWSA-N 0 1 242.344 2.229 20 0 BEADMN c1cc(CNC2CC3(C2)CCCC3)no1 ZINC000925213251 646211441 /nfs/dbraw/zinc/21/14/41/646211441.db2.gz YBOSQPLDZOJTSF-UHFFFAOYSA-N 0 1 206.289 2.487 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CCCSC2)on1 ZINC000925218664 646211453 /nfs/dbraw/zinc/21/14/53/646211453.db2.gz NEYCEMFZISAKQJ-IUCAKERBSA-N 0 1 242.344 2.229 20 0 BEADMN C[C@@H](NCCNc1ccccc1)c1cn(C)cn1 ZINC000925233447 646215312 /nfs/dbraw/zinc/21/53/12/646215312.db2.gz VNLYGWBZSSOKAK-GFCCVEGCSA-N 0 1 244.342 2.183 20 0 BEADMN CCC1(CN[C@@H](C)c2cc(CO)on2)CCC1 ZINC000925240577 646218900 /nfs/dbraw/zinc/21/89/00/646218900.db2.gz QLRDTYAWLFXKCC-JTQLQIEISA-N 0 1 238.331 2.398 20 0 BEADMN CCc1ncc(CN2CCCOC(C)(C)C2)o1 ZINC000929669966 646231479 /nfs/dbraw/zinc/23/14/79/646231479.db2.gz YMZVXSHWQVBUIA-UHFFFAOYSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ccccc1NC(=O)NC[C@H]1CCN1C ZINC000925393838 646260527 /nfs/dbraw/zinc/26/05/27/646260527.db2.gz KNNOIJLCABEOJU-GFCCVEGCSA-N 0 1 247.342 2.075 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000929714188 646267926 /nfs/dbraw/zinc/26/79/26/646267926.db2.gz QNOQHASYEIWMLY-GXTWGEPZSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@H](c1ncccn1)N1CCC(C)(C)C1 ZINC000929751152 646274725 /nfs/dbraw/zinc/27/47/25/646274725.db2.gz YKMLJBSDNZHCHH-SNVBAGLBSA-N 0 1 205.305 2.270 20 0 BEADMN C[C@@H](NCCCC(C)(C)C)c1cnn(C)n1 ZINC000925455184 646285651 /nfs/dbraw/zinc/28/56/51/646285651.db2.gz LLZKZBGPTRPQQU-SNVBAGLBSA-N 0 1 224.352 2.292 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC2(C1)CCOCC2 ZINC000929756580 646288063 /nfs/dbraw/zinc/28/80/63/646288063.db2.gz ICDCEQLSKLPKLX-LBPRGKRZSA-N 0 1 247.342 2.040 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1nn(CC)nc1C ZINC000925486764 646297708 /nfs/dbraw/zinc/29/77/08/646297708.db2.gz VAEOUFHXNDKUOY-WCQGTBRESA-N 0 1 236.363 2.446 20 0 BEADMN C[C@H]1COC[C@H]1NCc1nc(C2CC2)cs1 ZINC000925545158 646316833 /nfs/dbraw/zinc/31/68/33/646316833.db2.gz CNKFGTXUDULHQO-WCBMZHEXSA-N 0 1 238.356 2.145 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cnccn1 ZINC000929797611 646325649 /nfs/dbraw/zinc/32/56/49/646325649.db2.gz JDYZVQSEEKOWEH-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN Cc1cn(C)nc1CN(C)[C@H](C)C1(C)CC1 ZINC000929817879 646337449 /nfs/dbraw/zinc/33/74/49/646337449.db2.gz RXMJINPURYFGNU-LLVKDONJSA-N 0 1 221.348 2.349 20 0 BEADMN CC[C@@H]1CCN([C@@H](C)c2ncccn2)C1 ZINC000929824206 646338477 /nfs/dbraw/zinc/33/84/77/646338477.db2.gz UNYMQLHTQNPOHF-WDEREUQCSA-N 0 1 205.305 2.270 20 0 BEADMN C[C@H](Cc1ccccn1)NCc1ncccc1F ZINC000925600384 646353661 /nfs/dbraw/zinc/35/36/61/646353661.db2.gz VTKVRVYOCJPUOZ-LLVKDONJSA-N 0 1 245.301 2.337 20 0 BEADMN CCn1nc(C)c([C@H](C)NC[C@@H](C)SC)n1 ZINC000925602712 646356023 /nfs/dbraw/zinc/35/60/23/646356023.db2.gz WREWMMBSJLTEDA-BDAKNGLRSA-N 0 1 242.392 2.009 20 0 BEADMN Cc1cc(C)nc(CN2CCOC[C@H](C)C2)c1 ZINC000930085218 646426039 /nfs/dbraw/zinc/42/60/39/646426039.db2.gz HPVWECXKHHEDCI-GFCCVEGCSA-N 0 1 234.343 2.167 20 0 BEADMN CCc1ncc(CN(C)[C@@H]2CCSC2)o1 ZINC000930094283 646430264 /nfs/dbraw/zinc/43/02/64/646430264.db2.gz QUSGSKFJLNUBIG-SECBINFHSA-N 0 1 226.345 2.174 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CCCSCC1 ZINC000930119998 646440110 /nfs/dbraw/zinc/44/01/10/646440110.db2.gz UGWUXRHJMYSTEO-QWRGUYRKSA-N 0 1 245.388 2.013 20 0 BEADMN CC[C@@]1(C)COCCN1C/C=C(\C)COC ZINC000930124386 646446701 /nfs/dbraw/zinc/44/67/01/646446701.db2.gz SQESMPJPMTWVFJ-UWUHSAQLSA-N 0 1 227.348 2.080 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C(F)F)C2)o1 ZINC000930126274 646450850 /nfs/dbraw/zinc/45/08/50/646450850.db2.gz MXPIBERFEIADAI-MRVPVSSYSA-N 0 1 230.258 2.324 20 0 BEADMN c1cncc(CCCN2CCOC[C@@H]2C2CC2)c1 ZINC000930130544 646451100 /nfs/dbraw/zinc/45/11/00/646451100.db2.gz OUXVOQUNEBIYEX-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H](C)C1(C)CC1 ZINC000925776708 646475845 /nfs/dbraw/zinc/47/58/45/646475845.db2.gz HYSAHBNBHHIFSW-CBAPKCEASA-N 0 1 209.293 2.217 20 0 BEADMN CC[C@H](CSC)N(C)Cc1nn(C)cc1C ZINC000930179535 646482753 /nfs/dbraw/zinc/48/27/53/646482753.db2.gz OKLGFRPSAAHRMU-LLVKDONJSA-N 0 1 241.404 2.302 20 0 BEADMN C[C@H](N[C@@H]1CNOC1)c1cccc(C2CC2)c1 ZINC000925859315 646513227 /nfs/dbraw/zinc/51/32/27/646513227.db2.gz HLABHSUBHTURRF-IINYFYTJSA-N 0 1 232.327 2.118 20 0 BEADMN CC(C)n1cc([C@@H](C)NC2(C3CC3)CC2)nn1 ZINC000925895996 646535453 /nfs/dbraw/zinc/53/54/53/646535453.db2.gz GQTKBZXEUDVIRE-SNVBAGLBSA-N 0 1 234.347 2.452 20 0 BEADMN COCC1(N[C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000925924279 646543115 /nfs/dbraw/zinc/54/31/15/646543115.db2.gz SGSPWEWUCHZVTI-NSHDSACASA-N 0 1 249.358 2.049 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H](C2CC2)C1)c1ncco1 ZINC000926184611 646591063 /nfs/dbraw/zinc/59/10/63/646591063.db2.gz UQJMOGUPLLJAPE-MVWJERBFSA-N 0 1 236.315 2.283 20 0 BEADMN CCOC[C@H](C)N[C@H](C)c1cc(OC)ccn1 ZINC000926222640 646597749 /nfs/dbraw/zinc/59/77/49/646597749.db2.gz CNQLQOCVQGEXSE-WDEREUQCSA-N 0 1 238.331 2.166 20 0 BEADMN C[C@@H](NC[C@@H]1CC12CCOCC2)c1ncco1 ZINC000926228631 646598941 /nfs/dbraw/zinc/59/89/41/646598941.db2.gz OOJSVKBWRRSTFN-MNOVXSKESA-N 0 1 236.315 2.142 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000926253805 646605373 /nfs/dbraw/zinc/60/53/73/646605373.db2.gz VVWTVAVBVIYIRZ-NGZCFLSTSA-N 0 1 238.331 2.373 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000926253800 646606189 /nfs/dbraw/zinc/60/61/89/646606189.db2.gz VVWTVAVBVIYIRZ-ATZCPNFKSA-N 0 1 238.331 2.373 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2NCCC[C@@H](C)O ZINC000926316621 646615659 /nfs/dbraw/zinc/61/56/59/646615659.db2.gz WIQPULPNBFENGE-MWLCHTKSSA-N 0 1 238.331 2.111 20 0 BEADMN CC(C)n1cc([C@H](C)NCC[C@H](C)F)nn1 ZINC000926484827 646656201 /nfs/dbraw/zinc/65/62/01/646656201.db2.gz FMRNYCDZHLKGJF-UWVGGRQHSA-N 0 1 228.315 2.258 20 0 BEADMN CC(C)[C@@H]1COCC[C@H]1NCC(C)(F)F ZINC000926485301 646657498 /nfs/dbraw/zinc/65/74/98/646657498.db2.gz DKWJBGBBQLYKCU-VHSXEESVSA-N 0 1 221.291 2.292 20 0 BEADMN CC(C)C1(N[C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926488115 646658865 /nfs/dbraw/zinc/65/88/65/646658865.db2.gz UBTXGJWPVWURQJ-UWVGGRQHSA-N 0 1 220.320 2.062 20 0 BEADMN CC(C)C1(N[C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926488116 646659083 /nfs/dbraw/zinc/65/90/83/646659083.db2.gz UBTXGJWPVWURQJ-VHSXEESVSA-N 0 1 220.320 2.062 20 0 BEADMN COC[C@@H](C)CNCc1nc(C(C)(C)C)co1 ZINC000724408539 711578953 /nfs/dbraw/zinc/57/89/53/711578953.db2.gz RUVKLDMIQZPXCL-JTQLQIEISA-N 0 1 240.347 2.344 20 0 BEADMN CCN(Cc1[nH]c(C)nc1C)[C@H]1CCCOC1 ZINC000724792441 711615102 /nfs/dbraw/zinc/61/51/02/711615102.db2.gz YCEDYGUWWVYBGJ-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN CCCC[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721532283 711618283 /nfs/dbraw/zinc/61/82/83/711618283.db2.gz RTYPCJNCMINCNU-UHFFFAOYSA-N 0 1 222.288 2.012 20 0 BEADMN CNc1ncc(C(=O)OCCCC(C)C)s1 ZINC000381778281 711687814 /nfs/dbraw/zinc/68/78/14/711687814.db2.gz XKYTXWHPMOTRAW-UHFFFAOYSA-N 0 1 242.344 2.200 20 0 BEADMN Cc1csc(CCN[C@@H](C)c2ncc[nH]2)n1 ZINC000309499675 711686849 /nfs/dbraw/zinc/68/68/49/711686849.db2.gz URBXBLVVNCDOOX-VIFPVBQESA-N 0 1 236.344 2.068 20 0 BEADMN c1nc(CNC[C@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000722312919 711734370 /nfs/dbraw/zinc/73/43/70/711734370.db2.gz MQGYHFRQEKVFEZ-NEPJUHHUSA-N 0 1 238.356 2.190 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CC2(CCC2)C1 ZINC000700744444 712004856 /nfs/dbraw/zinc/00/48/56/712004856.db2.gz YEDXIDURMAFYJH-JTQLQIEISA-N 0 1 225.332 2.060 20 0 BEADMN CCc1nnc(CNC2(C)CCC2)s1 ZINC000702705649 712060048 /nfs/dbraw/zinc/06/00/48/712060048.db2.gz YFGWEDQTRUQTFN-UHFFFAOYSA-N 0 1 211.334 2.133 20 0 BEADMN Cc1cnc(CNCC[C@H]2CCSC2)o1 ZINC000704812651 712118563 /nfs/dbraw/zinc/11/85/63/712118563.db2.gz OTBKAIHRZVKTES-JTQLQIEISA-N 0 1 226.345 2.216 20 0 BEADMN C[C@H]1CN(Cc2cccc(F)c2N)[C@H]1C ZINC000706874296 712157793 /nfs/dbraw/zinc/15/77/93/712157793.db2.gz ZTUOLSQRNSJKKS-IUCAKERBSA-N 0 1 208.280 2.248 20 0 BEADMN CSC1CC(NCc2nccs2)C1 ZINC000706947735 712163079 /nfs/dbraw/zinc/16/30/79/712163079.db2.gz XYNABXPNSQOSMD-UHFFFAOYSA-N 0 1 214.359 2.127 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nocc1C ZINC000708236364 712184094 /nfs/dbraw/zinc/18/40/94/712184094.db2.gz YCTRERSWIPJKOF-ZYHUDNBSSA-N 0 1 224.304 2.030 20 0 BEADMN CC1(C)CC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711378572 712296274 /nfs/dbraw/zinc/29/62/74/712296274.db2.gz HOGFBEUUTPTHGU-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCC[C@H](CF)C1 ZINC000711456502 712304836 /nfs/dbraw/zinc/30/48/36/712304836.db2.gz SUXMWUXAUHSPSJ-VXGBXAGGSA-N 0 1 245.338 2.400 20 0 BEADMN O=C([O-])CCCCC[N@H+]1CCC[C@@H](CF)C1 ZINC000711449247 712302545 /nfs/dbraw/zinc/30/25/45/712302545.db2.gz DHCJVFFEQVDZIV-NSHDSACASA-N 0 1 231.311 2.313 20 0 BEADMN COC(=O)c1sccc1CN[C@H]1CC1(C)C ZINC000378780380 712360230 /nfs/dbraw/zinc/36/02/30/712360230.db2.gz YXXYYVAFAYGHLZ-VIFPVBQESA-N 0 1 239.340 2.423 20 0 BEADMN COCCCN1CCC(C)=C(Br)C1 ZINC000379399954 712382372 /nfs/dbraw/zinc/38/23/72/712382372.db2.gz HWTRWAYGBKELIA-UHFFFAOYSA-N 0 1 248.164 2.398 20 0 BEADMN O=C(OCC(F)F)c1ccc(O)c(Cl)c1 ZINC000762832960 712411695 /nfs/dbraw/zinc/41/16/95/712411695.db2.gz YANKZXWQSVJCLM-UHFFFAOYSA-N 0 1 236.601 2.468 20 0 BEADMN CCc1csc(NC[C@H]2CCN2CC)n1 ZINC000712561645 712445913 /nfs/dbraw/zinc/44/59/13/712445913.db2.gz CCNWSGSPSYDJPF-SNVBAGLBSA-N 0 1 225.361 2.212 20 0 BEADMN COC[C@@H](NCc1scnc1Cl)C1CC1 ZINC000713435452 712460100 /nfs/dbraw/zinc/46/01/00/712460100.db2.gz FBLBAIUPAKVVAJ-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN COCC(C)(C)NCc1scnc1Cl ZINC000713448627 712460964 /nfs/dbraw/zinc/46/09/64/712460964.db2.gz FJHASFUNVYLSCP-UHFFFAOYSA-N 0 1 234.752 2.311 20 0 BEADMN C=C/C=C\CC[N@@H+](CCC(=O)[O-])C(C)C ZINC000713703938 712469455 /nfs/dbraw/zinc/46/94/55/712469455.db2.gz TVEFXTJTJGVMTK-WAYWQWQTSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C/CCN(CCC)CC(=O)OC ZINC000713748397 712471138 /nfs/dbraw/zinc/47/11/38/712471138.db2.gz QZHGYGQFWFFMJE-VOTSOKGWSA-N 0 1 211.305 2.004 20 0 BEADMN CCC[C@](C)(N)c1nc(CC(C)C)no1 ZINC000036865026 712504869 /nfs/dbraw/zinc/50/48/69/712504869.db2.gz UZSCIPFIJVYMBZ-NSHDSACASA-N 0 1 211.309 2.242 20 0 BEADMN Cc1[nH+]c(N[C@H]2CC23CC3)ccc1C(=O)[O-] ZINC000715674225 712530392 /nfs/dbraw/zinc/53/03/92/712530392.db2.gz HTODYBDCOGHCMD-VIFPVBQESA-N 0 1 218.256 2.053 20 0 BEADMN Cc1[nH]nc(CN[C@H](C)c2cncs2)c1C ZINC000716451047 712562129 /nfs/dbraw/zinc/56/21/29/712562129.db2.gz MPOLIKYLEKZATJ-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN CCc1nc(CN[C@H](CC)C[C@@H](C)O)cs1 ZINC000716796681 712574197 /nfs/dbraw/zinc/57/41/97/712574197.db2.gz GFULNXFTYLQVNL-NXEZZACHSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@H](C[C@H](C)O)NCc1csc(C)n1 ZINC000716953356 712599663 /nfs/dbraw/zinc/59/96/63/712599663.db2.gz HJUFFZQVHKCVCK-WCBMZHEXSA-N 0 1 228.361 2.091 20 0 BEADMN CC[C@H](C[C@H](C)O)N[C@H](C)c1cscn1 ZINC000716956056 712599830 /nfs/dbraw/zinc/59/98/30/712599830.db2.gz RVFDYYURWPTWAB-IVZWLZJFSA-N 0 1 228.361 2.343 20 0 BEADMN CC(C)(C)CC[N@@H+](CCC(=O)[O-])C1CC1 ZINC000037474169 712647015 /nfs/dbraw/zinc/64/70/15/712647015.db2.gz KQILZOHMCSRSNO-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nc([C@H](C)NCc2ccsc2C)n[nH]1 ZINC000392426029 712725063 /nfs/dbraw/zinc/72/50/63/712725063.db2.gz VLAQVUPRJUIAEP-ZETCQYMHSA-N 0 1 236.344 2.334 20 0 BEADMN CC[N@@H+](CCCC(C)(F)F)[C@H](C)C(=O)[O-] ZINC000718645510 712776546 /nfs/dbraw/zinc/77/65/46/712776546.db2.gz KIBVMYWUVGBYHN-MRVPVSSYSA-N 0 1 223.263 2.217 20 0 BEADMN Cc1cc(CNCCC2SCCS2)no1 ZINC000720363893 712835773 /nfs/dbraw/zinc/83/57/73/712835773.db2.gz PXOCCWSXPHVFLZ-UHFFFAOYSA-N 0 1 244.385 2.269 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCSC2)no1 ZINC000720420612 712841317 /nfs/dbraw/zinc/84/13/17/712841317.db2.gz VKTXBGIKXFRSEZ-SNVBAGLBSA-N 0 1 226.345 2.216 20 0 BEADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)c(C)o1 ZINC000381274800 710615884 /nfs/dbraw/zinc/61/58/84/710615884.db2.gz WQNIUAVJEAWYHL-SECBINFHSA-N 0 1 219.288 2.470 20 0 BEADMN ClC1(Cl)C[C@@H]1c1nc([C@H]2CCCN2)no1 ZINC000381495997 710646323 /nfs/dbraw/zinc/64/63/23/710646323.db2.gz BSYAOTJAPBINEQ-PHDIDXHHSA-N 0 1 248.113 2.155 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1 ZINC000721213623 712899058 /nfs/dbraw/zinc/89/90/58/712899058.db2.gz UMEXGKUOIIXFCO-MJBXVCDLSA-N 0 1 245.322 2.148 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000380368845 712900067 /nfs/dbraw/zinc/90/00/67/712900067.db2.gz POFICLPYUSLSAH-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN COC(=O)c1ccc([C@H](C)N2C[C@@H]3C[C@@H]3C2)o1 ZINC000380408666 712900686 /nfs/dbraw/zinc/90/06/86/712900686.db2.gz XLBLWISFKLFCBU-LPEHRKFASA-N 0 1 235.283 2.079 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722664959 710719358 /nfs/dbraw/zinc/71/93/58/710719358.db2.gz MBPWKCRROWZCIE-NTZNESFSSA-N 0 1 248.326 2.185 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000723140665 710726408 /nfs/dbraw/zinc/72/64/08/710726408.db2.gz VCOJUHRYSWISMB-SJHCENCUSA-N 0 1 237.343 2.218 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000723798199 710731618 /nfs/dbraw/zinc/73/16/18/710731618.db2.gz VYEFMGUGRVLFBA-XPQJHZRLSA-N 0 1 225.332 2.385 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cccc(Cl)n1 ZINC000724119591 710737606 /nfs/dbraw/zinc/73/76/06/710737606.db2.gz IEVFWBQMSIGVKK-MNOVXSKESA-N 0 1 240.734 2.344 20 0 BEADMN C[C@]1(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CCCS1 ZINC000382012964 710765810 /nfs/dbraw/zinc/76/58/10/710765810.db2.gz NEWFTKOXDOIPIH-ZYHUDNBSSA-N 0 1 243.372 2.211 20 0 BEADMN CC[C@@H](C)CN1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044214750 710821989 /nfs/dbraw/zinc/82/19/89/710821989.db2.gz BBKFFXYUMNCVLN-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CC1=CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000382499811 710972052 /nfs/dbraw/zinc/97/20/52/710972052.db2.gz OJVZSSZVXMSNCQ-UHFFFAOYSA-N 0 1 221.256 2.130 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000380623112 712902017 /nfs/dbraw/zinc/90/20/17/712902017.db2.gz GVYFELSFKUPSDN-VHSXEESVSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000380614891 712902032 /nfs/dbraw/zinc/90/20/32/712902032.db2.gz BSNHXKIDCXJWDN-ZJUUUORDSA-N 0 1 234.299 2.010 20 0 BEADMN Cc1nccc(NC[C@@H](O)CC(C)C)c1Cl ZINC000380686855 712902445 /nfs/dbraw/zinc/90/24/45/712902445.db2.gz HSLSBROLZMJBMI-JTQLQIEISA-N 0 1 242.750 2.284 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC1(SC)CCC1 ZINC000389408020 711078604 /nfs/dbraw/zinc/07/86/04/711078604.db2.gz MKMNCWDZLUJQRN-UHFFFAOYSA-N 0 1 231.361 2.069 20 0 BEADMN Cc1nccc(NCc2ccon2)c1Cl ZINC000389722492 711087587 /nfs/dbraw/zinc/08/75/87/711087587.db2.gz PWDDYNGUYQRCBT-UHFFFAOYSA-N 0 1 223.663 2.065 20 0 BEADMN CCOC[C@H](C)NCc1cccnc1Cl ZINC000389912170 711096992 /nfs/dbraw/zinc/09/69/92/711096992.db2.gz KSCNUGLFTDSPMM-VIFPVBQESA-N 0 1 228.723 2.250 20 0 BEADMN Cc1cccc(C(C)(C)NCC[N+](=O)[O-])c1 ZINC000390441402 711117827 /nfs/dbraw/zinc/11/78/27/711117827.db2.gz VMHPTSOLFCPNEJ-UHFFFAOYSA-N 0 1 222.288 2.096 20 0 BEADMN C[C@H](N[C@@H](C)c1ccnn1C)c1ccc[nH]1 ZINC000390487569 711120237 /nfs/dbraw/zinc/12/02/37/711120237.db2.gz PFJSXXZATSGQBM-UWVGGRQHSA-N 0 1 218.304 2.160 20 0 BEADMN CC(C)=C(C)c1nc([C@@H]2CCCN2)no1 ZINC000390530648 711123626 /nfs/dbraw/zinc/12/36/26/711123626.db2.gz IIWSCHBTCBNAKU-VIFPVBQESA-N 0 1 207.277 2.307 20 0 BEADMN CSCC[C@H](C)NCc1cn(C(C)C)nn1 ZINC000390628956 711129379 /nfs/dbraw/zinc/12/93/79/711129379.db2.gz IAOHKHPLYBMXBN-JTQLQIEISA-N 0 1 242.392 2.090 20 0 BEADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCCC1CC1 ZINC000394558528 711193478 /nfs/dbraw/zinc/19/34/78/711193478.db2.gz LQXBLBJBPNOTTN-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN C[C@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C)C(C)(C)C ZINC000393643589 711167714 /nfs/dbraw/zinc/16/77/14/711167714.db2.gz BNQXBUPTADVECZ-MXWKQRLJSA-N 0 1 227.348 2.464 20 0 BEADMN C[N@@H+](C/C=C\Cl)C1(C(=O)[O-])CCCCC1 ZINC000393800340 711175140 /nfs/dbraw/zinc/17/51/40/711175140.db2.gz RGUIUVMCKLXOBU-YVMONPNESA-N 0 1 231.723 2.458 20 0 BEADMN CC[C@H](C)N(CCO)Cc1cccnc1Cl ZINC000393803242 711176397 /nfs/dbraw/zinc/17/63/97/711176397.db2.gz WEZMBJGSGNNQJY-JTQLQIEISA-N 0 1 242.750 2.328 20 0 BEADMN COC(OC)[C@H](C)NCc1sccc1Cl ZINC000394070095 711183165 /nfs/dbraw/zinc/18/31/65/711183165.db2.gz QVFSFPMKZNHADM-ZETCQYMHSA-N 0 1 249.763 2.499 20 0 BEADMN CCCOC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153007574 711193964 /nfs/dbraw/zinc/19/39/64/711193964.db2.gz HOISQXHUDPXMQE-SDDRHHMPSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCC1CC1 ZINC000394613259 711195550 /nfs/dbraw/zinc/19/55/50/711195550.db2.gz BUSLUYPPPYEVEM-LBPRGKRZSA-N 0 1 211.305 2.116 20 0 BEADMN CSC(C)(C)CCNCc1cocn1 ZINC000397803120 711392163 /nfs/dbraw/zinc/39/21/63/711392163.db2.gz MDWKIGROQGYYPD-UHFFFAOYSA-N 0 1 214.334 2.296 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000398303473 711406796 /nfs/dbraw/zinc/40/67/96/711406796.db2.gz SQYQQWGQIUBXEZ-IJLUTSLNSA-N 0 1 234.347 2.253 20 0 BEADMN C[C@@H]1CC[C@H](O)CN1CCSC(F)(F)F ZINC000399218736 711424598 /nfs/dbraw/zinc/42/45/98/711424598.db2.gz VDMJANORWQDFOP-SFYZADRCSA-N 0 1 243.294 2.085 20 0 BEADMN Cc1sccc1C[N@@H+](CCC(=O)[O-])C1CC1 ZINC000381010437 710597878 /nfs/dbraw/zinc/59/78/78/710597878.db2.gz SDKNQFNLLJFUOJ-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](CCO)C2CC2)cs1 ZINC000381341188 710625346 /nfs/dbraw/zinc/62/53/46/710625346.db2.gz XQYJCRIFUVKEPM-KCJUWKMLSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1nc([C@H](C)N[C@@H](CCO)C2CC2)cs1 ZINC000381341189 710625501 /nfs/dbraw/zinc/62/55/01/710625501.db2.gz XQYJCRIFUVKEPM-KWQFWETISA-N 0 1 240.372 2.263 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1CC(=O)[O-] ZINC000722684358 710718922 /nfs/dbraw/zinc/71/89/22/710718922.db2.gz VHONZVANQBELHC-PSASIEDQSA-N 0 1 247.285 2.074 20 0 BEADMN CCCCN1CC(N(C)C(=O)C2CCCC2)C1 ZINC001042401086 710780450 /nfs/dbraw/zinc/78/04/50/710780450.db2.gz LPSKMHMUVRWPIW-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CN[C@H](C)c2n[nH]c(C)n2)cs1 ZINC000392472906 711148398 /nfs/dbraw/zinc/14/83/98/711148398.db2.gz RFJLONCOKUZSOK-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccc(C)c(F)c2)n[nH]1 ZINC000392459705 711147996 /nfs/dbraw/zinc/14/79/96/711147996.db2.gz MDKJYHOZKOEQSU-SECBINFHSA-N 0 1 248.305 2.411 20 0 BEADMN Cc1nc([C@@H](C)NCc2ccsc2)n[nH]1 ZINC000392476269 711148286 /nfs/dbraw/zinc/14/82/86/711148286.db2.gz SOUOHXBBENVTAA-SSDOTTSWSA-N 0 1 222.317 2.025 20 0 BEADMN CCCN(CC)Cn1ccc(Br)n1 ZINC000394257168 711189077 /nfs/dbraw/zinc/18/90/77/711189077.db2.gz ICNQNNGTKGNOQW-UHFFFAOYSA-N 0 1 246.152 2.335 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394503591 711194265 /nfs/dbraw/zinc/19/42/65/711194265.db2.gz HPRXHFCQBHGRGD-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN COCCCC[N@H+](C)Cc1ccc([O-])c(F)c1 ZINC000397131755 711377974 /nfs/dbraw/zinc/37/79/74/711377974.db2.gz RWGXHKKJWMOGLI-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN COCCCC[N@@H+](C)Cc1ccc([O-])c(F)c1 ZINC000397131755 711377978 /nfs/dbraw/zinc/37/79/78/711377978.db2.gz RWGXHKKJWMOGLI-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCC1CC1 ZINC000397498829 711383636 /nfs/dbraw/zinc/38/36/36/711383636.db2.gz PVHLEWHHEGJEDU-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722608234 711455411 /nfs/dbraw/zinc/45/54/11/711455411.db2.gz DLDRXVLYAKXTMP-GRYCIOLGSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1CC(=O)[O-] ZINC000722623231 711455953 /nfs/dbraw/zinc/45/59/53/711455953.db2.gz XOYDJZQFAHYYJO-GHMZBOCLSA-N 0 1 231.311 2.169 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722639758 711456870 /nfs/dbraw/zinc/45/68/70/711456870.db2.gz ZCNKMEXAXRNEQL-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1ccoc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722660975 711463717 /nfs/dbraw/zinc/46/37/17/711463717.db2.gz MJYALXVTACVEQT-GHMZBOCLSA-N 0 1 237.299 2.131 20 0 BEADMN c1cc(CNCC[C@@H]2C[C@H]2C2CC2)no1 ZINC000712676261 711474478 /nfs/dbraw/zinc/47/44/78/711474478.db2.gz TZGFZYRJPDPKMK-PWSUYJOCSA-N 0 1 206.289 2.200 20 0 BEADMN Cc1[nH+]c(NCC(C)C)ccc1C(=O)[O-] ZINC000133884443 711475038 /nfs/dbraw/zinc/47/50/38/711475038.db2.gz ADBTZXZLOYGTBQ-UHFFFAOYSA-N 0 1 208.261 2.156 20 0 BEADMN Cc1[nH+]c(N[C@H](C)C2CC2)ccc1C(=O)[O-] ZINC000133891616 711475047 /nfs/dbraw/zinc/47/50/47/711475047.db2.gz ITHSAHRAVZZTFW-SSDOTTSWSA-N 0 1 220.272 2.299 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccoc2C)no1 ZINC000160392973 711488486 /nfs/dbraw/zinc/48/84/86/711488486.db2.gz SRGKJFSGNHIOBY-SECBINFHSA-N 0 1 221.260 2.309 20 0 BEADMN C[C@H](Nc1nc(Cl)nc2[nH]cnc21)C1CC1 ZINC000134187573 711490478 /nfs/dbraw/zinc/49/04/78/711490478.db2.gz RRMMHJSWQIAJCZ-YFKPBYRVSA-N 0 1 237.694 2.217 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000723126408 711506547 /nfs/dbraw/zinc/50/65/47/711506547.db2.gz OCYGLNRBQOBSOX-USZNOCQGSA-N 0 1 225.332 2.218 20 0 BEADMN FC(F)CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723627420 711526519 /nfs/dbraw/zinc/52/65/19/711526519.db2.gz CRNWBNMYYNPDRG-OPRDCNLKSA-N 0 1 219.275 2.046 20 0 BEADMN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ncc[nH]1 ZINC000290494039 711531682 /nfs/dbraw/zinc/53/16/82/711531682.db2.gz XYFSEOMTBUGXJK-GVXVVHGQSA-N 0 1 245.326 2.182 20 0 BEADMN Cc1cc(C)nc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000723868494 711540493 /nfs/dbraw/zinc/54/04/93/711540493.db2.gz RMAKBRHWSQMNBY-ZDUSSCGKSA-N 0 1 248.326 2.138 20 0 BEADMN C[C@@H]1CCN1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724113711 711561408 /nfs/dbraw/zinc/56/14/08/711561408.db2.gz GQSSQSWJUNWZQX-RQJHMYQMSA-N 0 1 247.207 2.029 20 0 BEADMN Cc1nnc(CCN(Cc2ccoc2)C2CC2)o1 ZINC000934004775 711561522 /nfs/dbraw/zinc/56/15/22/711561522.db2.gz ULRXQJVNSWREEZ-UHFFFAOYSA-N 0 1 247.298 2.178 20 0 BEADMN CCCCC1(NCc2ncnn2CCF)CC1 ZINC000934203592 711575256 /nfs/dbraw/zinc/57/52/56/711575256.db2.gz SANPQJLGGCMUHF-UHFFFAOYSA-N 0 1 240.326 2.060 20 0 BEADMN C[C@H](CCO)CNCc1nc(C(C)(C)C)co1 ZINC000724407220 711578184 /nfs/dbraw/zinc/57/81/84/711578184.db2.gz CXKAVNKJKCDQPD-SNVBAGLBSA-N 0 1 240.347 2.080 20 0 BEADMN CCOCCCNCc1nc(C(C)(C)C)co1 ZINC000724407767 711578993 /nfs/dbraw/zinc/57/89/93/711578993.db2.gz JLABYSOTWLGXHW-UHFFFAOYSA-N 0 1 240.347 2.488 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NCc2ncccn2)CCO1 ZINC000721509925 711580494 /nfs/dbraw/zinc/58/04/94/711580494.db2.gz ZWAPHWYZJCUKIG-NWDGAFQWSA-N 0 1 249.358 2.160 20 0 BEADMN Nc1ncccc1CN1CCC(F)(C2CC2)CC1 ZINC000724829849 711616868 /nfs/dbraw/zinc/61/68/68/711616868.db2.gz PGJXRLCBBGQJDR-UHFFFAOYSA-N 0 1 249.333 2.378 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721529010 711618195 /nfs/dbraw/zinc/61/81/95/711618195.db2.gz CLJULGLCIGCIAC-LLVKDONJSA-N 0 1 248.326 2.402 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721528864 711618361 /nfs/dbraw/zinc/61/83/61/711618361.db2.gz BVUNADMGIZLLHJ-UWVGGRQHSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721542036 711620014 /nfs/dbraw/zinc/62/00/14/711620014.db2.gz RLVASVYKIWUMBI-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542287 711620118 /nfs/dbraw/zinc/62/01/18/711620118.db2.gz SYIVOLVFHKHYGH-UHFFFAOYSA-N 0 1 236.315 2.258 20 0 BEADMN Cc1ccncc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000135554682 711654324 /nfs/dbraw/zinc/65/43/24/711654324.db2.gz PNQBGIHLMRGUDU-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN Cn1ncc(CN[C@@H]2CC23CCCC3)c1Cl ZINC000382406981 711656979 /nfs/dbraw/zinc/65/69/79/711656979.db2.gz SKHZDNVLBGQXFR-SNVBAGLBSA-N 0 1 239.750 2.496 20 0 BEADMN C[C@H]([N@@H+](C)Cc1cccc(C(=O)[O-])n1)C1(C)CC1 ZINC000385167145 711673822 /nfs/dbraw/zinc/67/38/22/711673822.db2.gz BCCFRGOHIODBHR-JTQLQIEISA-N 0 1 248.326 2.400 20 0 BEADMN CCOCC(C)(C)NCc1cnc(Cl)cn1 ZINC000393273750 711675734 /nfs/dbraw/zinc/67/57/34/711675734.db2.gz KCSCAICKQDCPIB-UHFFFAOYSA-N 0 1 243.738 2.035 20 0 BEADMN COCCCCNCc1nnc(C(C)C)s1 ZINC000892588446 711677672 /nfs/dbraw/zinc/67/76/72/711677672.db2.gz HFGZKNDCMDSJGV-UHFFFAOYSA-N 0 1 243.376 2.178 20 0 BEADMN CC(C)[N@@H+](CCCC1CC1)CCC(=O)[O-] ZINC000394588980 711689088 /nfs/dbraw/zinc/68/90/88/711689088.db2.gz DIHBSZIWHRRBIB-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@H](C[N@@H+](CC(=O)[O-])C1CCCC1)OC ZINC000395196605 711693074 /nfs/dbraw/zinc/69/30/74/711693074.db2.gz KNEBACWYIGSEJK-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN Cn1c(Cl)cnc1CNC1(C2(C)CC2)CC1 ZINC000398216954 711709577 /nfs/dbraw/zinc/70/95/77/711709577.db2.gz MEZVEYYIHJQBMV-UHFFFAOYSA-N 0 1 239.750 2.496 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1 ZINC000334603503 711718246 /nfs/dbraw/zinc/71/82/46/711718246.db2.gz LILHZVOPWWCFKZ-SMDDNHRTSA-N 0 1 237.343 2.363 20 0 BEADMN Cc1cc(C)cc(CC[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000257637714 711719250 /nfs/dbraw/zinc/71/92/50/711719250.db2.gz ACQKICNVKOLQOL-CQSZACIVSA-N 0 1 247.338 2.252 20 0 BEADMN Cc1ncccc1CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461975 711719742 /nfs/dbraw/zinc/71/97/42/711719742.db2.gz HVAVCRNYYCNWRW-SNVBAGLBSA-N 0 1 242.326 2.232 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)Cc2c[nH]nc21 ZINC000931466118 711726217 /nfs/dbraw/zinc/72/62/17/711726217.db2.gz JENSXOXHLWCKOO-ZYHUDNBSSA-N 0 1 249.358 2.144 20 0 BEADMN CC(C)(NC1CCC(C)(O)CC1)C(F)F ZINC000894146885 711764574 /nfs/dbraw/zinc/76/45/74/711764574.db2.gz ATZXLTXOCBMLNJ-UHFFFAOYSA-N 0 1 221.291 2.313 20 0 BEADMN COC[C@@H](CN[C@H](C)c1csnn1)C(C)C ZINC000721779904 711769551 /nfs/dbraw/zinc/76/95/51/711769551.db2.gz ILNDEIOISDLBLN-NXEZZACHSA-N 0 1 243.376 2.107 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382809694 711793759 /nfs/dbraw/zinc/79/37/59/711793759.db2.gz OWWWASOABWOIOQ-TUAOUCFPSA-N 0 1 223.316 2.138 20 0 BEADMN CCn1cc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)nn1 ZINC000899641750 711803474 /nfs/dbraw/zinc/80/34/74/711803474.db2.gz AXYNPZUYYHYMMN-IJLUTSLNSA-N 0 1 236.363 2.164 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccoc2C)no1 ZINC000160392852 711808019 /nfs/dbraw/zinc/80/80/19/711808019.db2.gz SRGKJFSGNHIOBY-VIFPVBQESA-N 0 1 221.260 2.309 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)CC2CCC2)C1 ZINC001030184335 711827533 /nfs/dbraw/zinc/82/75/33/711827533.db2.gz PUNLXLHZLHGXIV-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@H](Nc2nccs2)C[N@H+]1C1CC1 ZINC000229935264 711839579 /nfs/dbraw/zinc/83/95/79/711839579.db2.gz WGNFDWKTMQSXMS-BDAKNGLRSA-N 0 1 223.345 2.180 20 0 BEADMN CC[C@@H](CO)NCc1ncc(-c2ccccc2)o1 ZINC000916571252 711873164 /nfs/dbraw/zinc/87/31/64/711873164.db2.gz BUGRIBNDSFORKG-LBPRGKRZSA-N 0 1 246.310 2.202 20 0 BEADMN C[C@@H](Cc1cccs1)NCc1ncccn1 ZINC000070851069 711897265 /nfs/dbraw/zinc/89/72/65/711897265.db2.gz LGMXWEPPQNWWAA-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN Cc1ccc(CNCc2cc(N(C)C)ccn2)o1 ZINC000922480773 711972328 /nfs/dbraw/zinc/97/23/28/711972328.db2.gz LWOVDSZYPQEJKE-UHFFFAOYSA-N 0 1 245.326 2.339 20 0 BEADMN COc1cncc(CNCc2ccnc(C)c2)c1 ZINC000700078779 711985793 /nfs/dbraw/zinc/98/57/93/711985793.db2.gz QKSXOZYCMQNLSA-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN C[C@@H]1CCCN(Cc2cscn2)[C@@H]1CCO ZINC000700365046 711990737 /nfs/dbraw/zinc/99/07/37/711990737.db2.gz QWIWHZFCYYNDJP-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN COCc1ccc(CN[C@@H]2C=CCC2)o1 ZINC000700563148 711995898 /nfs/dbraw/zinc/99/58/98/711995898.db2.gz UHEGHYHMJIEPBI-SNVBAGLBSA-N 0 1 207.273 2.234 20 0 BEADMN Cc1nnc(CN[C@@]2(C)CC2(C)C)s1 ZINC000702010509 712036842 /nfs/dbraw/zinc/03/68/42/712036842.db2.gz SKJKBIDGCLBVRE-JTQLQIEISA-N 0 1 211.334 2.125 20 0 BEADMN CCC(=O)N[C@H]1CCCCN(C[C@H](F)CC)C1 ZINC001034061883 712038198 /nfs/dbraw/zinc/03/81/98/712038198.db2.gz ZOMKFQDXIUIQMM-NEPJUHHUSA-N 0 1 244.354 2.115 20 0 BEADMN C[C@H](F)CCNCc1cnn(-c2ccccc2)n1 ZINC000702633438 712057493 /nfs/dbraw/zinc/05/74/93/712057493.db2.gz RXNQYZKVZHSCIV-NSHDSACASA-N 0 1 248.305 2.105 20 0 BEADMN CC(C)c1ccc([C@@H](C)N[C@H]2CNOC2)cc1 ZINC000703381067 712074683 /nfs/dbraw/zinc/07/46/83/712074683.db2.gz NUHDFDIUAJBPMA-RISCZKNCSA-N 0 1 234.343 2.364 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@H]1C[C@@H](O)C1 ZINC000703793831 712087445 /nfs/dbraw/zinc/08/74/45/712087445.db2.gz QMQSBOBDJYQIQH-OCAPTIKFSA-N 0 1 224.131 2.008 20 0 BEADMN CCCCCCC(=O)N1CCNC[C@@H]1C(C)C ZINC000704525894 712109512 /nfs/dbraw/zinc/10/95/12/712109512.db2.gz YXAIJULFJOYBSZ-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@](O)(CNCc1ccccc1Cl)C(F)F ZINC000705093723 712122227 /nfs/dbraw/zinc/12/22/27/712122227.db2.gz IYCZVCBZBZNTTC-NSHDSACASA-N 0 1 249.688 2.446 20 0 BEADMN CC1(C)C[C@]1(C)CNc1ncnc2[nH]cnc21 ZINC000705320366 712128757 /nfs/dbraw/zinc/12/87/57/712128757.db2.gz SCEBVBBCYUOYMW-GFCCVEGCSA-N 0 1 231.303 2.153 20 0 BEADMN Cc1[nH+]c(N2CCC[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000706495737 712147468 /nfs/dbraw/zinc/14/74/68/712147468.db2.gz YBELZFGXRUDEQF-LBPRGKRZSA-N 0 1 246.310 2.467 20 0 BEADMN c1cnc2c(c1)CCC[C@H]2NC1CSC1 ZINC000706495844 712147527 /nfs/dbraw/zinc/14/75/27/712147527.db2.gz QZAQQRGYZXHFHZ-LLVKDONJSA-N 0 1 220.341 2.164 20 0 BEADMN Cc1nnc(CNCC2CC(C)(C)C2)s1 ZINC000706558550 712150101 /nfs/dbraw/zinc/15/01/01/712150101.db2.gz YYBBYBUNFMYFMR-UHFFFAOYSA-N 0 1 225.361 2.372 20 0 BEADMN CSC1CC(NCc2ncc(C)s2)C1 ZINC000706796894 712155845 /nfs/dbraw/zinc/15/58/45/712155845.db2.gz SVZNYXZRXWISST-UHFFFAOYSA-N 0 1 228.386 2.435 20 0 BEADMN COCC1(N(C)Cc2ccc(Cl)nc2)CC1 ZINC000706931590 712161936 /nfs/dbraw/zinc/16/19/36/712161936.db2.gz PXQSNNPCYDURMU-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN CSC1CC(NCc2ncc(Cl)n2C)C1 ZINC000706931964 712161962 /nfs/dbraw/zinc/16/19/62/712161962.db2.gz WAYSXGWXLUXHGD-UHFFFAOYSA-N 0 1 245.779 2.057 20 0 BEADMN Cc1nc(C)c(CNC[C@@H]2CC(C)(C)CO2)o1 ZINC000708346919 712190138 /nfs/dbraw/zinc/19/01/38/712190138.db2.gz OHCIYTNNLFYHLR-NSHDSACASA-N 0 1 238.331 2.196 20 0 BEADMN CC[C@H]1CN(C[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000708375670 712191185 /nfs/dbraw/zinc/19/11/85/712191185.db2.gz HYWZDUNHRXDPAM-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)[C@@H]1CN(C[C@@H](O)c2ccccc2)CCO1 ZINC000708880259 712202861 /nfs/dbraw/zinc/20/28/61/712202861.db2.gz GOFVDOJBOKIQGW-CABCVRRESA-N 0 1 249.354 2.077 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709077074 712207484 /nfs/dbraw/zinc/20/74/84/712207484.db2.gz QMDRHKKGNKAJIX-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN c1cc(CCNCc2nccn2C2CC2)sn1 ZINC000709952932 712234364 /nfs/dbraw/zinc/23/43/64/712234364.db2.gz KVMZDKYYJWDFAM-UHFFFAOYSA-N 0 1 248.355 2.007 20 0 BEADMN CC[C@H](C)[C@H](CN[C@@H](C)c1cn(C)cn1)OC ZINC000710005775 712239351 /nfs/dbraw/zinc/23/93/51/712239351.db2.gz JLRMOXIOCSIKSD-GVXVVHGQSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1ccoc1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710279706 712250376 /nfs/dbraw/zinc/25/03/76/712250376.db2.gz SFPCVNTVWHHDBA-ZWNOBZJWSA-N 0 1 237.299 2.131 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000710284059 712250508 /nfs/dbraw/zinc/25/05/08/712250508.db2.gz YUEOXXOHVJSYGB-NOZJJQNGSA-N 0 1 237.299 2.131 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ncn(C)n1 ZINC000711037481 712275729 /nfs/dbraw/zinc/27/57/29/712275729.db2.gz ZCWVHQACISNVGP-WYUUTHIRSA-N 0 1 234.347 2.044 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@H](CF)C1 ZINC000711478757 712305654 /nfs/dbraw/zinc/30/56/54/712305654.db2.gz CDYBIUJPNNVPRX-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CC[C@H](CF)C1 ZINC000711488498 712306643 /nfs/dbraw/zinc/30/66/43/712306643.db2.gz CJDKJNZBZSRVKM-PWSUYJOCSA-N 0 1 237.274 2.104 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000711496826 712306973 /nfs/dbraw/zinc/30/69/73/712306973.db2.gz JDVAXHWFROUCAN-MRVPVSSYSA-N 0 1 243.303 2.238 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC000711663404 712318582 /nfs/dbraw/zinc/31/85/82/712318582.db2.gz LBEMXNBEKYZWLB-OTAGOHKDSA-N 0 1 229.707 2.068 20 0 BEADMN NC1(c2noc([C@]34C[C@H]3CCCC4)n2)CCC1 ZINC000711718323 712319609 /nfs/dbraw/zinc/31/96/09/712319609.db2.gz QBACASIYCTUAIU-BXKDBHETSA-N 0 1 233.315 2.239 20 0 BEADMN c1cn(C2CC2)c(CN[C@H]2C=CCC2)n1 ZINC000711736516 712321081 /nfs/dbraw/zinc/32/10/81/712321081.db2.gz DYLSBXDTMKJSRC-JTQLQIEISA-N 0 1 203.289 2.026 20 0 BEADMN c1cn(C2CC2)c(CNCCOC2CCCC2)n1 ZINC000711749711 712324347 /nfs/dbraw/zinc/32/43/47/712324347.db2.gz ASQUZZLXCPCDAB-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN CO[C@](C)(CNCc1nccn1C1CC1)C1CC1 ZINC000711753181 712324696 /nfs/dbraw/zinc/32/46/96/712324696.db2.gz VILZIBNUDNJJBN-CQSZACIVSA-N 0 1 249.358 2.123 20 0 BEADMN CCC[C@]1(NCc2nccn2C2CC2)CCOC1 ZINC000711753170 712324825 /nfs/dbraw/zinc/32/48/25/712324825.db2.gz UZBSWHYXGUJKQJ-AWEZNQCLSA-N 0 1 249.358 2.267 20 0 BEADMN C[C@@H]1CCC[C@@H](CNCc2nccn2C2CC2)O1 ZINC000711758123 712325822 /nfs/dbraw/zinc/32/58/22/712325822.db2.gz VHNFDQSRQFCALT-YPMHNXCESA-N 0 1 249.358 2.265 20 0 BEADMN Cc1csc([C@@H](C)NCCOC2CC2)n1 ZINC000711759689 712326425 /nfs/dbraw/zinc/32/64/25/712326425.db2.gz PTMAKVSSFUVNOU-SECBINFHSA-N 0 1 226.345 2.281 20 0 BEADMN CC1(C)C[C@@]1(C)NCc1nccn1C1CC1 ZINC000711772262 712328729 /nfs/dbraw/zinc/32/87/29/712328729.db2.gz MYYKUAJUEUKLOG-CYBMUJFWSA-N 0 1 219.332 2.496 20 0 BEADMN C[C@@H]1CSC[C@@H]1NCc1nccn1C1CC1 ZINC000711817093 712332453 /nfs/dbraw/zinc/33/24/53/712332453.db2.gz KPOMBKCPBZDUTL-KOLCDFICSA-N 0 1 237.372 2.059 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCNC(=O)[O-])cc1 ZINC000740126273 712344788 /nfs/dbraw/zinc/34/47/88/712344788.db2.gz LCJNRHWEJLWQAO-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN C[C@H](Cc1ccco1)N[C@@H]1CCn2ccnc21 ZINC000379034207 712367873 /nfs/dbraw/zinc/36/78/73/712367873.db2.gz YOWAFFKQKLRGSE-ZYHUDNBSSA-N 0 1 231.299 2.142 20 0 BEADMN CCO[C@@H]1C[C@H](N[C@H]2CCn3ccnc32)C1(C)C ZINC000379023946 712368585 /nfs/dbraw/zinc/36/85/85/712368585.db2.gz UIBBVZLBPYZNKF-SDDRHHMPSA-N 0 1 249.358 2.121 20 0 BEADMN COC[C@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000781988062 712417295 /nfs/dbraw/zinc/41/72/95/712417295.db2.gz UPMVKNICPZOKGX-ZETCQYMHSA-N 0 1 244.674 2.237 20 0 BEADMN CCC[C@@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795336426 712424304 /nfs/dbraw/zinc/42/43/04/712424304.db2.gz QXLPXBLGXAHPJO-SECBINFHSA-N 0 1 239.319 2.408 20 0 BEADMN CCC[C@@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795336426 712424305 /nfs/dbraw/zinc/42/43/05/712424305.db2.gz QXLPXBLGXAHPJO-SECBINFHSA-N 0 1 239.319 2.408 20 0 BEADMN Cn1ccnc1CNc1ccc2c(n1)CCCC2 ZINC000712373227 712428171 /nfs/dbraw/zinc/42/81/71/712428171.db2.gz YZDXPXUAANGVKS-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN CCc1cc(CC)nc(NC[C@@H]2CCN2CC)n1 ZINC000712605150 712436925 /nfs/dbraw/zinc/43/69/25/712436925.db2.gz KNCITDCXENGBBT-ZDUSSCGKSA-N 0 1 248.374 2.108 20 0 BEADMN CN1CC[C@@H]1CNCc1c(F)cccc1Cl ZINC000712563417 712446261 /nfs/dbraw/zinc/44/62/61/712446261.db2.gz JRTMWFFARWIYMK-SECBINFHSA-N 0 1 242.725 2.273 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000713704692 712469328 /nfs/dbraw/zinc/46/93/28/712469328.db2.gz VZUVVTQCWQEAQE-ZYOFXKKJSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000713704713 712469331 /nfs/dbraw/zinc/46/93/31/712469331.db2.gz WBQJGPJDKOIMPO-PCAWENJQSA-N 0 1 223.316 2.305 20 0 BEADMN C=C/C=C/CC[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000713704582 712469488 /nfs/dbraw/zinc/46/94/88/712469488.db2.gz VKBUYUIWKYNDQB-MLRMMBSGSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C/CCN[C@H](C)c1csnn1 ZINC000713688255 712469598 /nfs/dbraw/zinc/46/95/98/712469598.db2.gz VPBKBXJKMNQKTG-XNPJLODASA-N 0 1 209.318 2.321 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000713739443 712470687 /nfs/dbraw/zinc/47/06/87/712470687.db2.gz VAZONHDCGHKVOJ-NSHDSACASA-N 0 1 247.342 2.207 20 0 BEADMN CCCn1cc(CN[C@@]23C[C@@H]2CCCC3)nn1 ZINC000714509620 712492856 /nfs/dbraw/zinc/49/28/56/712492856.db2.gz UTERJDXWIWCYCG-AAEUAGOBSA-N 0 1 234.347 2.110 20 0 BEADMN COC(=O)CN(CC[C@@H]1C[C@H]1C1CC1)C(C)C ZINC000714812180 712498556 /nfs/dbraw/zinc/49/85/56/712498556.db2.gz RHSGYOYKFMAEEQ-OLZOCXBDSA-N 0 1 239.359 2.306 20 0 BEADMN COC(=O)[C@H]1CCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000714817152 712501447 /nfs/dbraw/zinc/50/14/47/712501447.db2.gz CSGSSHSPXSPDKD-FRRDWIJNSA-N 0 1 237.343 2.060 20 0 BEADMN Cc1cc(C[N@@H+](C)CCCF)oc1C(=O)[O-] ZINC000714956067 712503420 /nfs/dbraw/zinc/50/34/20/712503420.db2.gz UZXGRETXATZCDO-UHFFFAOYSA-N 0 1 229.251 2.078 20 0 BEADMN Cc1cc(CNC[C@@H]2CC[C@@H](C3CC3)O2)on1 ZINC000715405041 712517022 /nfs/dbraw/zinc/51/70/22/712517022.db2.gz UEBZQAUDVMDUKB-AAEUAGOBSA-N 0 1 236.315 2.030 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715448400 712519319 /nfs/dbraw/zinc/51/93/19/712519319.db2.gz XBXGUUMWHFJUPA-RYDUCSDGSA-N 0 1 237.343 2.218 20 0 BEADMN C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000715442181 712519424 /nfs/dbraw/zinc/51/94/24/712519424.db2.gz XQWKUPNFKYADOV-NDBYEHHHSA-N 0 1 237.343 2.218 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1cn(C)cn1 ZINC000715533830 712526085 /nfs/dbraw/zinc/52/60/85/712526085.db2.gz NNPBLIJHNHYTFI-ZKYQVNSYSA-N 0 1 249.358 2.028 20 0 BEADMN CCCn1cc([C@@H](C)NC2CC=CC2)nn1 ZINC000715842780 712533100 /nfs/dbraw/zinc/53/31/00/712533100.db2.gz MJKAJSXTPRDCLY-SNVBAGLBSA-N 0 1 220.320 2.057 20 0 BEADMN C[C@H](N[C@H]1CCCC(F)(F)C1)c1cn(C)nn1 ZINC000715833202 712534035 /nfs/dbraw/zinc/53/40/35/712534035.db2.gz BKHBIAPSIXEYGO-IUCAKERBSA-N 0 1 244.289 2.044 20 0 BEADMN CCCn1cc([C@H](C)NC[C@@H](C)SC)nn1 ZINC000715894184 712540857 /nfs/dbraw/zinc/54/08/57/712540857.db2.gz IDFJSOVSPHRTCY-ZJUUUORDSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@H](NCc1cc[nH]c1)c1ccns1 ZINC000715925201 712543177 /nfs/dbraw/zinc/54/31/77/712543177.db2.gz CULYVYSTPXJBNT-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1cc(CNC(=O)C=Cc2ccccc2)n[nH]1 ZINC000716238081 712553487 /nfs/dbraw/zinc/55/34/87/712553487.db2.gz OZWFIPCZQYOAIA-FPLPWBNLSA-N 0 1 241.294 2.048 20 0 BEADMN c1c2ccccc2oc1CNCC1OCCCO1 ZINC000716358004 712556316 /nfs/dbraw/zinc/55/63/16/712556316.db2.gz JQSLNKMPBDVHTE-UHFFFAOYSA-N 0 1 247.294 2.285 20 0 BEADMN CC(C)(O)C1CCN(Cc2ccns2)CC1 ZINC000716416780 712559613 /nfs/dbraw/zinc/55/96/13/712559613.db2.gz WQDXHSCHXOIVLC-UHFFFAOYSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1n[nH]c(CN[C@H](C)c2cccnc2)c1C ZINC000716454355 712561836 /nfs/dbraw/zinc/56/18/36/712561836.db2.gz CTDFJMHZRHPHDI-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)c2ccccn2)c1C ZINC000716456593 712562546 /nfs/dbraw/zinc/56/25/46/712562546.db2.gz PDMBZAFZTDUJSH-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cn[nH]c1CNCc1ncc(Cl)s1 ZINC000716465977 712563021 /nfs/dbraw/zinc/56/30/21/712563021.db2.gz NHAPMEZMPIDDIJ-UHFFFAOYSA-N 0 1 242.735 2.118 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNCc1cocn1 ZINC000716634592 712568057 /nfs/dbraw/zinc/56/80/57/712568057.db2.gz GZAPTKARERXFCE-LLHIFLOGSA-N 0 1 206.289 2.056 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)s1 ZINC000716637330 712568499 /nfs/dbraw/zinc/56/84/99/712568499.db2.gz LIJQPGGXNBFEMT-PXIYARARSA-N 0 1 237.372 2.228 20 0 BEADMN CCN(CCF)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854467 712587150 /nfs/dbraw/zinc/58/71/50/712587150.db2.gz XVTDOTDLISIFCD-YPMHNXCESA-N 0 1 225.307 2.400 20 0 BEADMN CC[C@@H](CNCc1nc(C)c(C)s1)OC ZINC000379843180 712616539 /nfs/dbraw/zinc/61/65/39/712616539.db2.gz HDAZUBUUJRKPPS-JTQLQIEISA-N 0 1 228.361 2.275 20 0 BEADMN C[C@@H](NCc1ccon1)[C@@H]1C[C@H]1C1CC1 ZINC000858147890 712617044 /nfs/dbraw/zinc/61/70/44/712617044.db2.gz CXKDKUJTTAUMGG-ZHAHWJHGSA-N 0 1 206.289 2.199 20 0 BEADMN COC(=O)[C@H](NC[Si](C)(C)C)C(C)(C)C ZINC000379961037 712636928 /nfs/dbraw/zinc/63/69/28/712636928.db2.gz WYSRSSLUKOVPTN-VIFPVBQESA-N 0 1 231.412 2.041 20 0 BEADMN Cc1ccccc1[C@H](CO)NC/C=C\Cl ZINC000379962155 712637017 /nfs/dbraw/zinc/63/70/17/712637017.db2.gz XGBRCNVENSALRQ-KMSCOEIWSA-N 0 1 225.719 2.371 20 0 BEADMN c1cc2ncnc(NC[C@H]3CCC=CO3)c2s1 ZINC000380011362 712669932 /nfs/dbraw/zinc/66/99/32/712669932.db2.gz HQKSTYPYVBRCQQ-SECBINFHSA-N 0 1 247.323 2.218 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC[C@H](O)CC1 ZINC000930590628 712712864 /nfs/dbraw/zinc/71/28/64/712712864.db2.gz SBWQMGZFPXHXHM-PWSUYJOCSA-N 0 1 238.306 2.129 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1ccco1 ZINC000080992161 712728742 /nfs/dbraw/zinc/72/87/42/712728742.db2.gz GHFUDOWZFKMMKO-NSHDSACASA-N 0 1 223.272 2.109 20 0 BEADMN CC[C@@H]1C[C@H](NCc2cnc(Cl)s2)CO1 ZINC000718185790 712752220 /nfs/dbraw/zinc/75/22/20/712752220.db2.gz HNAFSXBLOMXTGP-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cnc(Cl)s1 ZINC000718207336 712754128 /nfs/dbraw/zinc/75/41/28/712754128.db2.gz DOMRCEIBJOZWOA-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccco1)c1ccccn1 ZINC000037862900 712776236 /nfs/dbraw/zinc/77/62/36/712776236.db2.gz PKKIBGAFLINSPK-CMPLNLGQSA-N 0 1 232.283 2.059 20 0 BEADMN CCc1ccc(C(=O)NCc2cn[nH]c2C)s1 ZINC000037990440 712796529 /nfs/dbraw/zinc/79/65/29/712796529.db2.gz STAGLOFUGPRWDJ-UHFFFAOYSA-N 0 1 249.339 2.272 20 0 BEADMN C[C@@H](COCc1ccccc1)CN1CCOCC1 ZINC000719487390 712808754 /nfs/dbraw/zinc/80/87/54/712808754.db2.gz MVBQYQUZLSEGNQ-CQSZACIVSA-N 0 1 249.354 2.172 20 0 BEADMN Cc1conc1CN1CCCC[C@H]1C[C@@H](C)O ZINC000720363004 712835531 /nfs/dbraw/zinc/83/55/31/712835531.db2.gz JDVPTXVBFGFZNK-NEPJUHHUSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1conc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000720362821 712835538 /nfs/dbraw/zinc/83/55/38/712835538.db2.gz PCYGEANIAWDYFU-UHTWSYAYSA-N 0 1 248.326 2.030 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccccn2)no1 ZINC000720369193 712836306 /nfs/dbraw/zinc/83/63/06/712836306.db2.gz KGTURGFBVBJELD-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN c1cc(CNCC[C@H]2CCCS2)no1 ZINC000720403544 712839722 /nfs/dbraw/zinc/83/97/22/712839722.db2.gz CMSAFSCTUUXQQG-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN C[C@@H]1CCN(CCC(=O)c2ccccc2)CCO1 ZINC000720511945 712847938 /nfs/dbraw/zinc/84/79/38/712847938.db2.gz MCYJMFUCIQFSAE-CYBMUJFWSA-N 0 1 247.338 2.370 20 0 BEADMN CC1(CNCc2cocn2)CC(F)(F)C1 ZINC000720911683 712877138 /nfs/dbraw/zinc/87/71/38/712877138.db2.gz KEBWZXNVSBZLNE-UHFFFAOYSA-N 0 1 216.231 2.200 20 0 BEADMN Cc1cc(CNC2(C)CC(F)(F)C2)on1 ZINC000720927744 712879300 /nfs/dbraw/zinc/87/93/00/712879300.db2.gz LGYCPVTXKXEROP-UHFFFAOYSA-N 0 1 216.231 2.260 20 0 BEADMN CC(C)(C)CCC[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721174782 712894615 /nfs/dbraw/zinc/89/46/15/712894615.db2.gz MEAFPPMFACTHNE-TUAOUCFPSA-N 0 1 239.359 2.465 20 0 BEADMN CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1cccc(C)c1 ZINC001037982533 712895920 /nfs/dbraw/zinc/89/59/20/712895920.db2.gz ZCRSJEHOARIGGI-WFASDCNBSA-N 0 1 246.354 2.266 20 0 BEADMN CC1(CN2CCO[C@@H]3C[C@@H]32)CCCCC1 ZINC001208904033 957227606 /nfs/dbraw/zinc/22/76/06/957227606.db2.gz XEIHNWRNQYMTQX-NWDGAFQWSA-N 0 1 209.333 2.430 20 0 BEADMN Cc1ccnc(N2C[C@H](C)N(C)C[C@@H]2C)c1F ZINC001164642481 719201253 /nfs/dbraw/zinc/20/12/53/719201253.db2.gz VYAJMKWOMAJGFP-QWRGUYRKSA-N 0 1 237.322 2.058 20 0 BEADMN Cc1c(F)ccnc1N1C[C@@H](C)N(C)C[C@@H]1C ZINC001164639689 719211595 /nfs/dbraw/zinc/21/15/95/719211595.db2.gz QWOXQSTVNOVKPS-ZJUUUORDSA-N 0 1 237.322 2.058 20 0 BEADMN CCOc1cccnc1N1C[C@@H](C)N(C)C[C@@H]1C ZINC001164633220 719248877 /nfs/dbraw/zinc/24/88/77/719248877.db2.gz KHTVBXPKUBPDOA-NEPJUHHUSA-N 0 1 249.358 2.009 20 0 BEADMN CCCCN(CC(=O)OCC)C[C@H]1C[C@@H]1C ZINC001209432393 957463199 /nfs/dbraw/zinc/46/31/99/957463199.db2.gz QGUWXKKDKZGPRM-NWDGAFQWSA-N 0 1 227.348 2.308 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](CC(C)C)C1CC1 ZINC000082604707 957796576 /nfs/dbraw/zinc/79/65/76/957796576.db2.gz VBKKNKIDPIIURH-UXBLZVDNSA-N 0 1 211.305 2.138 20 0 BEADMN CC=C(C)Nc1cccnc1C(=O)OC ZINC001210793170 957888914 /nfs/dbraw/zinc/88/89/14/957888914.db2.gz XNWIUQKRTLEZAN-XBXARRHUSA-N 0 1 206.245 2.204 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccs1 ZINC000086269874 957963561 /nfs/dbraw/zinc/96/35/61/957963561.db2.gz NJNIMDMQGRRTRT-WCBMZHEXSA-N 0 1 225.313 2.043 20 0 BEADMN C[C@@H](Cc1cccs1)[N@@H+](C)CCCC(=O)[O-] ZINC000086441078 957970706 /nfs/dbraw/zinc/97/07/06/957970706.db2.gz HQYZBRIYEDNYEN-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN Cc1ccnc(CN[C@H]2CCC[C@@H](C)C2)n1 ZINC000707915449 958812022 /nfs/dbraw/zinc/81/20/22/958812022.db2.gz ILLIOZCNHQEUHG-PWSUYJOCSA-N 0 1 219.332 2.453 20 0 BEADMN Cc1cc(CNc2nnc(C(C)C)s2)n[nH]1 ZINC000309406641 959874270 /nfs/dbraw/zinc/87/42/70/959874270.db2.gz XGJIDRPRSBLGQL-UHFFFAOYSA-N 0 1 237.332 2.305 20 0 BEADMN C[C@]1(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)CCCS1 ZINC000327905003 960076567 /nfs/dbraw/zinc/07/65/67/960076567.db2.gz PUAARQMXLBIIDY-NWDGAFQWSA-N 0 1 243.372 2.069 20 0 BEADMN CCCCC(=O)NC1CN(CC(CC)CC)C1 ZINC001267637084 960154467 /nfs/dbraw/zinc/15/44/67/960154467.db2.gz QKXHVPPOWAKWNU-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cc(CN2CCC[C@@H](F)CC2)[nH]n1 ZINC001203069775 960618281 /nfs/dbraw/zinc/61/82/81/960618281.db2.gz CXCSSTQPELPYOA-SNVBAGLBSA-N 0 1 211.284 2.042 20 0 BEADMN Cc1cc(CN2CC[C@H](F)C(F)(F)CC2)n[nH]1 ZINC001203070122 960628526 /nfs/dbraw/zinc/62/85/26/960628526.db2.gz HZXGQGBERRBABF-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN c1coc(CN2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC001141004747 960804748 /nfs/dbraw/zinc/80/47/48/960804748.db2.gz LOQIJHCHJFBVIO-WDEREUQCSA-N 0 1 206.289 2.297 20 0 BEADMN Cc1ccncc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001141033186 960824501 /nfs/dbraw/zinc/82/45/01/960824501.db2.gz FGYPKRQCSLBRQG-DRZSPHRISA-N 0 1 220.291 2.180 20 0 BEADMN Cc1noc(C)c1CNCC1SCCS1 ZINC000692901082 961211418 /nfs/dbraw/zinc/21/14/18/961211418.db2.gz DLGSTLZJJBOCHU-UHFFFAOYSA-N 0 1 244.385 2.187 20 0 BEADMN CC1(F)CN(Cc2cccc3nc[nH]c32)C1 ZINC001142676184 961595617 /nfs/dbraw/zinc/59/56/17/961595617.db2.gz CBTMSULDMYDMQE-UHFFFAOYSA-N 0 1 219.263 2.107 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@H](O)CC2)s1 ZINC001139808655 961665347 /nfs/dbraw/zinc/66/53/47/961665347.db2.gz AMJJTMPTNHWGMX-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN OCC1CN(Cc2ccc(C(F)F)cc2)C1 ZINC001143251124 961976644 /nfs/dbraw/zinc/97/66/44/961976644.db2.gz MSYHFVZYMODDPU-UHFFFAOYSA-N 0 1 227.254 2.048 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CC[C@H](CC)C1 ZINC000092930821 962044334 /nfs/dbraw/zinc/04/43/34/962044334.db2.gz ZMUMVDHJQLHFTL-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN C[N@@H+](C[C@H]1CCC(F)(F)C1)C(C)(C)C(=O)[O-] ZINC000300868692 963039072 /nfs/dbraw/zinc/03/90/72/963039072.db2.gz LOCOGHNVNPNEIQ-QMMMGPOBSA-N 0 1 235.274 2.217 20 0 BEADMN CC[C@@H](C)Nc1ccc2nc(C)[nH]c2n1 ZINC001167998533 963204277 /nfs/dbraw/zinc/20/42/77/963204277.db2.gz CSVSUFKZGWZNJG-SSDOTTSWSA-N 0 1 204.277 2.477 20 0 BEADMN CS[C@H]1CC[C@@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000308840509 963310322 /nfs/dbraw/zinc/31/03/22/963310322.db2.gz JXCXPRCMWLXWQK-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000309144168 963328207 /nfs/dbraw/zinc/32/82/07/963328207.db2.gz DXMWBOSEGUOCJI-WDEREUQCSA-N 0 1 245.388 2.171 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCC(=O)[O-] ZINC000309684703 963364001 /nfs/dbraw/zinc/36/40/01/963364001.db2.gz NWPNZCHOMBORRB-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CCc1ccc(C)nc1N[C@H](C)CCO ZINC000895330004 963411375 /nfs/dbraw/zinc/41/13/75/963411375.db2.gz NSRNWWNCELDWBH-SNVBAGLBSA-N 0 1 208.305 2.135 20 0 BEADMN CCC[C@@H](C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227713674 963554799 /nfs/dbraw/zinc/55/47/99/963554799.db2.gz PXUJMDWREJSPPC-SFYZADRCSA-N 0 1 238.287 2.341 20 0 BEADMN C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](F)C2)CCO1 ZINC001168111510 963749967 /nfs/dbraw/zinc/74/99/67/963749967.db2.gz AXKWEWLTKANGNX-KXUCPTDWSA-N 0 1 237.265 2.233 20 0 BEADMN Cc1cc(NC2CN(C(C)C)C2)cnc1C ZINC001168315611 964418257 /nfs/dbraw/zinc/41/82/57/964418257.db2.gz SNSDSMXBIYEOHB-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN CC(C)(C)N1CC(Nc2cc(Cl)ncn2)C1 ZINC001162219686 964876469 /nfs/dbraw/zinc/87/64/69/964876469.db2.gz ASGFUMOCPDTQGY-UHFFFAOYSA-N 0 1 240.738 2.025 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2C=CCC2)c2nccn21 ZINC000698194276 965094973 /nfs/dbraw/zinc/09/49/73/965094973.db2.gz FCJASFZOQCNKGJ-GMTAPVOTSA-N 0 1 203.289 2.197 20 0 BEADMN Cc1cc2cc[nH]c2c(N[C@H](C)CCO)n1 ZINC001165868403 966181839 /nfs/dbraw/zinc/18/18/39/966181839.db2.gz UEDQWJHMRIOAPW-MRVPVSSYSA-N 0 1 219.288 2.054 20 0 BEADMN Cc1cccc([C@H](O)CN[C@H](C)c2ncc[nH]2)c1 ZINC000285909323 1165742099 /nfs/dbraw/zinc/74/20/99/1165742099.db2.gz BUAIFPRXGBEJKG-DGCLKSJQSA-N 0 1 245.326 2.102 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cc(CC)no2)C1 ZINC001203219983 966565648 /nfs/dbraw/zinc/56/56/48/966565648.db2.gz PKDRZEFMZRCBLV-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1cccc(N2CCN(C)CC2)c1 ZINC000169261546 1165772550 /nfs/dbraw/zinc/77/25/50/1165772550.db2.gz YFKHBMRIAOSGBD-UHFFFAOYSA-N 0 1 204.317 2.001 20 0 BEADMN CCc1nc(C)c(CN(C)CCSC)[nH]1 ZINC001203248109 966584419 /nfs/dbraw/zinc/58/44/19/966584419.db2.gz OQRAHFDIZGOTAA-UHFFFAOYSA-N 0 1 227.377 2.075 20 0 BEADMN CC(=O)[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC001203297777 966604489 /nfs/dbraw/zinc/60/44/89/966604489.db2.gz ZVGSPRQPIPUSAO-GFCCVEGCSA-N 0 1 221.300 2.389 20 0 BEADMN Cc1coc(CN2CC3CCC2CC3)n1 ZINC001237644149 966681097 /nfs/dbraw/zinc/68/10/97/966681097.db2.gz DAXWDPZEBCUQDC-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN O[C@H]1CCCCN(Cc2cc(F)cc(F)c2)C1 ZINC001204228070 966933104 /nfs/dbraw/zinc/93/31/04/966933104.db2.gz NOMRKROBGGHYJC-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN C[S@@](=O)c1ccccc1CCN1CCCC1 ZINC001250163644 967456637 /nfs/dbraw/zinc/45/66/37/967456637.db2.gz FCZHKOQKDBXYKU-MRXNPFEDSA-N 0 1 237.368 2.062 20 0 BEADMN Cc1nnc(Nc2cc(F)cc(F)c2O)o1 ZINC001212477925 967481531 /nfs/dbraw/zinc/48/15/31/967481531.db2.gz QHHCDBRZXXUCTR-UHFFFAOYSA-N 0 1 227.170 2.105 20 0 BEADMN c1csc([C@H](NCc2nnc[nH]2)C2CC2)c1 ZINC000042331476 1165917368 /nfs/dbraw/zinc/91/73/68/1165917368.db2.gz VXKNPBJHRUIPLV-LLVKDONJSA-N 0 1 234.328 2.107 20 0 BEADMN O=S(=O)(Nc1ccoc1)c1ccc(F)cc1 ZINC001251615656 968293861 /nfs/dbraw/zinc/29/38/61/968293861.db2.gz TVGMBXYEDFVNLW-UHFFFAOYSA-N 0 1 241.243 2.220 20 0 BEADMN Cc1nnc(SCc2cccc(Cl)n2)[nH]1 ZINC000085680683 1165963307 /nfs/dbraw/zinc/96/33/07/1165963307.db2.gz KEZRGYKBZNUNSU-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN Cc1n[nH]c(SCc2cccc(Cl)n2)n1 ZINC000085680683 1165963312 /nfs/dbraw/zinc/96/33/12/1165963312.db2.gz KEZRGYKBZNUNSU-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CSc1cncc(Nc2cncn2C)c1 ZINC001211066632 1165981015 /nfs/dbraw/zinc/98/10/15/1165981015.db2.gz BNRDWUFCWJXSAA-UHFFFAOYSA-N 0 1 220.301 2.281 20 0 BEADMN OCC[C@@H](NCc1ccncc1)c1cccs1 ZINC000077459409 1166008801 /nfs/dbraw/zinc/00/88/01/1166008801.db2.gz WFCIBOSUSSYQFX-GFCCVEGCSA-N 0 1 248.351 2.356 20 0 BEADMN OCC[C@H](NCc1ccncc1)c1cccs1 ZINC000077459411 1166008931 /nfs/dbraw/zinc/00/89/31/1166008931.db2.gz WFCIBOSUSSYQFX-LBPRGKRZSA-N 0 1 248.351 2.356 20 0 BEADMN Cn1nccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000080200010 1166023921 /nfs/dbraw/zinc/02/39/21/1166023921.db2.gz WNPWPTUGURORPD-CQSZACIVSA-N 0 1 245.301 2.336 20 0 BEADMN COCCNCc1c(Cl)cccc1N(C)C ZINC000062734888 1166024269 /nfs/dbraw/zinc/02/42/69/1166024269.db2.gz SOERFRKWDLNNFU-UHFFFAOYSA-N 0 1 242.750 2.142 20 0 BEADMN CCCCS(=O)(=O)Nc1cc(F)ccc1O ZINC000082879274 1166084403 /nfs/dbraw/zinc/08/44/03/1166084403.db2.gz FTAACVVMWICUTD-UHFFFAOYSA-N 0 1 247.291 2.073 20 0 BEADMN CC1(C)C[C@H](CN2CC3(C2)CCCO3)CCO1 ZINC001207353303 968733381 /nfs/dbraw/zinc/73/33/81/968733381.db2.gz FSRJBZBIHRERRD-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN NCc1ncc(-c2ccccc2Cl)cn1 ZINC000084492071 1166191880 /nfs/dbraw/zinc/19/18/80/1166191880.db2.gz NULSOEUTRIXGTG-UHFFFAOYSA-N 0 1 219.675 2.256 20 0 BEADMN CCCOC(=O)[C@H]1CCCCN1CCC ZINC000132472905 1166196881 /nfs/dbraw/zinc/19/68/81/1166196881.db2.gz CRRRZKYMUFOYRD-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CN1CCC=C(c2cnc(C(F)(F)F)cn2)C1 ZINC001241565253 969054733 /nfs/dbraw/zinc/05/47/33/969054733.db2.gz GSDCXLAXQMAUJJ-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CS[C@@H](C)CCN(C)Cc1cnc(C)nc1 ZINC001208153790 969079002 /nfs/dbraw/zinc/07/90/02/969079002.db2.gz IXLJYDZMOARSTM-JTQLQIEISA-N 0 1 239.388 2.358 20 0 BEADMN CC[C@]1(C)CCN(CC(=O)OC(C)C)C1 ZINC000399428845 1166231394 /nfs/dbraw/zinc/23/13/94/1166231394.db2.gz XYVMGUSBLYSTOA-GFCCVEGCSA-N 0 1 213.321 2.060 20 0 BEADMN CO[C@@H](C)CNc1ccc2c(n1)CCC2 ZINC000224339456 1166232226 /nfs/dbraw/zinc/23/22/26/1166232226.db2.gz ICPTZUSBUBMOAI-VIFPVBQESA-N 0 1 206.289 2.017 20 0 BEADMN CCOC(=O)C[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723413767 969127023 /nfs/dbraw/zinc/12/70/23/969127023.db2.gz UANOBRQFRBCEGU-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)CN(C)C1CCC2(CC2)CC1 ZINC000723413767 969127027 /nfs/dbraw/zinc/12/70/27/969127027.db2.gz UANOBRQFRBCEGU-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@@H]1CCCC(C)(C)C1 ZINC000226140724 1166249111 /nfs/dbraw/zinc/24/91/11/1166249111.db2.gz BDTOMQKLNNCVFT-MNOVXSKESA-N 0 1 225.332 2.203 20 0 BEADMN COc1ccncc1-c1nccc(N)c1C ZINC001242054015 969186129 /nfs/dbraw/zinc/18/61/29/969186129.db2.gz FCKDQNHQROVFEM-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN c1cc2n(n1)CCN(CCC1CCCC1)C2 ZINC001208696105 969197541 /nfs/dbraw/zinc/19/75/41/969197541.db2.gz LUMSSXGJZNXHFV-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCCCC[C@H](O)CNCc1nc(C)oc1C ZINC001253520114 969198100 /nfs/dbraw/zinc/19/81/00/969198100.db2.gz UAHHNBPFZDLFJR-LBPRGKRZSA-N 0 1 240.347 2.322 20 0 BEADMN CC/C=C\CCN1CCC(=O)[C@H](F)CC1 ZINC001208725594 969212852 /nfs/dbraw/zinc/21/28/52/969212852.db2.gz MOKROTOOOCBZCB-DLRQAJBASA-N 0 1 213.296 2.346 20 0 BEADMN CCCCC[C@@H](O)CNCc1cc(C)no1 ZINC001253548483 969221593 /nfs/dbraw/zinc/22/15/93/969221593.db2.gz GNBFPPHOJLXXHQ-LLVKDONJSA-N 0 1 226.320 2.014 20 0 BEADMN O=c1cc(C2CC2)[nH]n1CC(F)(F)F ZINC000306313378 1166290881 /nfs/dbraw/zinc/29/08/81/1166290881.db2.gz XDYWGMBWBLQAAR-UHFFFAOYSA-N 0 1 206.167 2.028 20 0 BEADMN CN1CC=C(NC2=CC=NC(Cl)C2=O)CC1 ZINC001208802385 969242943 /nfs/dbraw/zinc/24/29/43/969242943.db2.gz KMXDVIMOKQICLR-UHFFFAOYSA-N 0 1 239.706 2.072 20 0 BEADMN CCC(=O)C(C)(C)CN1C[C@@H](C)O[C@H](C)C1 ZINC001208915756 969299255 /nfs/dbraw/zinc/29/92/55/969299255.db2.gz JSFATVPIHLMJFU-GHMZBOCLSA-N 0 1 227.348 2.101 20 0 BEADMN CCOC(C)(C)CN1CC2(C1)CCCCO2 ZINC001209066438 969344249 /nfs/dbraw/zinc/34/42/49/969344249.db2.gz GEOPMPKBOWTYJD-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CCc1ccc(C)nc1NC[C@@H](O)C(C)C ZINC001253748304 969365326 /nfs/dbraw/zinc/36/53/26/969365326.db2.gz FUXPFLASHGVEEI-GFCCVEGCSA-N 0 1 222.332 2.381 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(CO)c(C)c1 ZINC001211578877 1166365399 /nfs/dbraw/zinc/36/53/99/1166365399.db2.gz UEINTGULNCGXJI-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN COCCCCN1CCCC(F)(F)[C@H](F)C1 ZINC001209217533 969404508 /nfs/dbraw/zinc/40/45/08/969404508.db2.gz HRHDCMCCJMXXNS-SNVBAGLBSA-N 0 1 239.281 2.482 20 0 BEADMN COCCCCN1CC[C@](C)(F)[C@@H](F)C1 ZINC001209217519 969405639 /nfs/dbraw/zinc/40/56/39/969405639.db2.gz GZUNYMDZDILRPB-QWRGUYRKSA-N 0 1 221.291 2.185 20 0 BEADMN CS[C@H]1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC001254018663 969450284 /nfs/dbraw/zinc/45/02/84/969450284.db2.gz NOMGHCJHWMITDB-RYUDHWBXSA-N 0 1 239.388 2.136 20 0 BEADMN C[C@@H]1CC(CN(C)Cc2ccon2)C[C@@H](C)O1 ZINC001209384502 969455076 /nfs/dbraw/zinc/45/50/76/969455076.db2.gz AJMUUIPJRUBUPK-GHMZBOCLSA-N 0 1 238.331 2.310 20 0 BEADMN CCCOC1CN(CC2CCC(OC)CC2)C1 ZINC001209394234 969461826 /nfs/dbraw/zinc/46/18/26/969461826.db2.gz XJRNCWMKOFBRRZ-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN COC(C)(C)CCN1CCC(F)(F)[C@@H](F)C1 ZINC001209402252 969464631 /nfs/dbraw/zinc/46/46/31/969464631.db2.gz IGANGNFQGJITOG-VIFPVBQESA-N 0 1 239.281 2.481 20 0 BEADMN CC[C@](C)(N)c1nc(-c2cnccc2C)no1 ZINC000167855998 1166421112 /nfs/dbraw/zinc/42/11/12/1166421112.db2.gz LOYSNHUOZWMAQQ-LBPRGKRZSA-N 0 1 232.287 2.024 20 0 BEADMN COC(=O)[C@@H]1CCN1C1C[C@H](C)C[C@@H](C)C1 ZINC000252766622 1166426156 /nfs/dbraw/zinc/42/61/56/1166426156.db2.gz HLYGVNOBRHWNOA-FOGDFJRCSA-N 0 1 225.332 2.058 20 0 BEADMN O=C(NCC=CC1CC1)c1n[nH]c2ccccc21 ZINC000393649212 1166494471 /nfs/dbraw/zinc/49/44/71/1166494471.db2.gz MNAXSOYTGILYFV-ARJAWSKDSA-N 0 1 241.294 2.259 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(Cl)nn1 ZINC001209962693 969725726 /nfs/dbraw/zinc/72/57/26/969725726.db2.gz YLUDUMREDPKXHK-UHFFFAOYSA-N 0 1 235.678 2.159 20 0 BEADMN Cc1nnc(-c2ccc(Cl)cc2O)o1 ZINC000307125972 1166548025 /nfs/dbraw/zinc/54/80/25/1166548025.db2.gz ULXMOSFQQVUJOT-UHFFFAOYSA-N 0 1 210.620 2.404 20 0 BEADMN CCCC[C@@H](C)N1CCn2cncc2C1 ZINC001255330321 970110840 /nfs/dbraw/zinc/11/08/40/970110840.db2.gz SPENIMXBSMDYLI-LLVKDONJSA-N 0 1 207.321 2.277 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ncccc2C)no1 ZINC000109519087 1166602884 /nfs/dbraw/zinc/60/28/84/1166602884.db2.gz AVOTUSJUWWMFTH-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN CC[C@@H](C)CCC(=O)NC1CN(CC(C)C)C1 ZINC001267661979 1166604881 /nfs/dbraw/zinc/60/48/81/1166604881.db2.gz MZUQNSYCWIVCBY-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)CCC[C@H](C)N1CCNC(=O)[C@@H]1C ZINC001170082921 970193016 /nfs/dbraw/zinc/19/30/16/970193016.db2.gz NGLTWLKJRLFAMH-RYUDHWBXSA-N 0 1 226.364 2.022 20 0 BEADMN CN1CCC[C@@H](N2CCC[C@H]2C(F)(F)F)C1 ZINC001255480114 970219312 /nfs/dbraw/zinc/21/93/12/970219312.db2.gz AVIQXHKPTPRFIZ-ZJUUUORDSA-N 0 1 236.281 2.107 20 0 BEADMN Cc1nn(C)c(CNC/C=C\C2CC2)c1Cl ZINC000379238951 1166683356 /nfs/dbraw/zinc/68/33/56/1166683356.db2.gz VFLWDPPRMJAEPS-ARJAWSKDSA-N 0 1 239.750 2.438 20 0 BEADMN C[C@H](CC(F)(F)F)NC[C@@H](F)C(C)(C)O ZINC001255644888 970423282 /nfs/dbraw/zinc/42/32/82/970423282.db2.gz WDCAMRVQLLQTNN-RNFRBKRXSA-N 0 1 231.233 2.026 20 0 BEADMN C[C@H]1CC[C@H](N2CCn3cccc3C2)C1 ZINC001170144041 970427545 /nfs/dbraw/zinc/42/75/45/970427545.db2.gz BXQGZVVCCLUPPE-RYUDHWBXSA-N 0 1 204.317 2.492 20 0 BEADMN COC[C@@H]1CCN1[C@H](C)CC(F)(F)F ZINC001255662098 970442875 /nfs/dbraw/zinc/44/28/75/970442875.db2.gz HJGDFWYTNDTXGD-SFYZADRCSA-N 0 1 211.227 2.048 20 0 BEADMN C[C@H](CC(F)(F)F)N(C)[C@H]1CCOC1 ZINC001255657411 970437797 /nfs/dbraw/zinc/43/77/97/970437797.db2.gz GWFUSXXPCNNQQJ-SFYZADRCSA-N 0 1 211.227 2.048 20 0 BEADMN CC(=O)c1cc(Nc2cncn2C)cs1 ZINC001214776873 970537474 /nfs/dbraw/zinc/53/74/74/970537474.db2.gz VTKHWMXMVIPQRV-UHFFFAOYSA-N 0 1 221.285 2.428 20 0 BEADMN C[C@H](O)CC(C)(C)CNCc1nccs1 ZINC000379913450 1166813364 /nfs/dbraw/zinc/81/33/64/1166813364.db2.gz ADMKFXITNBHXCS-VIFPVBQESA-N 0 1 228.361 2.030 20 0 BEADMN O=[N+]([O-])c1ccc(CNCCC(F)F)c(F)c1 ZINC000379976867 1166818075 /nfs/dbraw/zinc/81/80/75/1166818075.db2.gz IBQDPODKWXVFLR-UHFFFAOYSA-N 0 1 248.204 2.479 20 0 BEADMN COC(=O)c1cc(CNCCC(F)F)oc1C ZINC000380103718 1166828913 /nfs/dbraw/zinc/82/89/13/1166828913.db2.gz JHSUTFMOIBQFDV-UHFFFAOYSA-N 0 1 247.241 2.119 20 0 BEADMN Clc1cscc1CNCCn1cccn1 ZINC000380170687 1166841541 /nfs/dbraw/zinc/84/15/41/1166841541.db2.gz HCAHYXKDFQVYOI-UHFFFAOYSA-N 0 1 241.747 2.388 20 0 BEADMN Nc1ccc(CN2CC=CC2)c(Cl)c1 ZINC000307377392 1166858662 /nfs/dbraw/zinc/85/86/62/1166858662.db2.gz CJJGCWHBFGXTAU-UHFFFAOYSA-N 0 1 208.692 2.294 20 0 BEADMN Cc1cncc(CN2CCC[C@@H](F)CC2)n1 ZINC001203161558 1166867289 /nfs/dbraw/zinc/86/72/89/1166867289.db2.gz JYIIBJXCJQLUMX-LLVKDONJSA-N 0 1 223.295 2.109 20 0 BEADMN Cc1ccc2nc(-c3nccn3C)[nH]c2c1 ZINC000238500334 1166891423 /nfs/dbraw/zinc/89/14/23/1166891423.db2.gz YSMNPLMYAUNIBX-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CCSC[C@H](C)N(C)Cc1cnccn1 ZINC001173305563 975210905 /nfs/dbraw/zinc/21/09/05/975210905.db2.gz ORSQBUZRHAKIPK-JTQLQIEISA-N 0 1 225.361 2.050 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@@H](NCc2csnn2)C1 ZINC000398238408 1167047518 /nfs/dbraw/zinc/04/75/18/1167047518.db2.gz AIDMTXCSYDXDDJ-KKZNHRDASA-N 0 1 225.361 2.452 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCn3nccc3C2)C1 ZINC001173285101 975243306 /nfs/dbraw/zinc/24/33/06/975243306.db2.gz UZZJHSYALSEJGF-NEPJUHHUSA-N 0 1 219.332 2.277 20 0 BEADMN Clc1ccccc1-c1ncnc2c1CNC2 ZINC000211498664 1167074456 /nfs/dbraw/zinc/07/44/56/1167074456.db2.gz XWXLMHUANFVZGI-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN CCC[C@@H](C)NCc1ncccc1C(=O)OC ZINC000304146155 1167082871 /nfs/dbraw/zinc/08/28/71/1167082871.db2.gz AFOZMCHFZNWJBH-SNVBAGLBSA-N 0 1 236.315 2.146 20 0 BEADMN C[C@@H](NC/C=C\C1CC1)c1nccn1C ZINC000382411477 1167101723 /nfs/dbraw/zinc/10/17/23/1167101723.db2.gz URZCIQLPAAICPF-UMBAGQNISA-N 0 1 205.305 2.037 20 0 BEADMN Nc1ccc(CN2CC3(C2)CCCC3)cn1 ZINC000308377731 1167180874 /nfs/dbraw/zinc/18/08/74/1167180874.db2.gz OZRQDAORXMMQRB-UHFFFAOYSA-N 0 1 217.316 2.040 20 0 BEADMN CCOc1cc(CN2CC=CC2)ccc1O ZINC001204126993 975487645 /nfs/dbraw/zinc/48/76/45/975487645.db2.gz CIWHOSDOHDNIBK-UHFFFAOYSA-N 0 1 219.284 2.163 20 0 BEADMN CCCOC(=O)[C@H](C)Oc1ccc2nc[nH]c2c1 ZINC001226928931 1167195624 /nfs/dbraw/zinc/19/56/24/1167195624.db2.gz VJYPYXLAKKGGMJ-VIFPVBQESA-N 0 1 248.282 2.283 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OCC1CC=CC1 ZINC001333227253 975576386 /nfs/dbraw/zinc/57/63/86/975576386.db2.gz IGPOHLOOFPPNLK-TXEJJXNPSA-N 0 1 237.343 2.369 20 0 BEADMN CCOc1ccccc1Nc1nnco1 ZINC001173848117 975749351 /nfs/dbraw/zinc/74/93/51/975749351.db2.gz QKGCHXWUIMDXHR-UHFFFAOYSA-N 0 1 205.217 2.212 20 0 BEADMN COc1nonc1Nc1ccc(F)cc1F ZINC001173925526 975906518 /nfs/dbraw/zinc/90/65/18/975906518.db2.gz WMEGIYRTZWAPHE-UHFFFAOYSA-N 0 1 227.170 2.100 20 0 BEADMN CC(=O)OC[C@@H](C)N[C@H](C)c1cc(C)oc1C ZINC001333706049 976011108 /nfs/dbraw/zinc/01/11/08/976011108.db2.gz DLMIENAWCGHOHO-PSASIEDQSA-N 0 1 239.315 2.499 20 0 BEADMN NC(=O)c1sccc1N=C1CCCC1 ZINC001173996370 976134086 /nfs/dbraw/zinc/13/40/86/976134086.db2.gz AZQWKACPLTZMNW-UHFFFAOYSA-N 0 1 208.286 2.327 20 0 BEADMN CCC[C@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480033 976246202 /nfs/dbraw/zinc/24/62/02/976246202.db2.gz HCBQTZLMTOXXTN-LURJTMIESA-N 0 1 216.668 2.403 20 0 BEADMN CC1(C)CCC[C@@H]1NCc1nncs1 ZINC001334162195 976344205 /nfs/dbraw/zinc/34/42/05/976344205.db2.gz SGTNIWZTGDCERI-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN COc1cc(Nc2nnco2)cc(F)c1F ZINC001174582704 976845066 /nfs/dbraw/zinc/84/50/66/976845066.db2.gz DMXBTJPFDKDTCG-UHFFFAOYSA-N 0 1 227.170 2.100 20 0 BEADMN Cc1csc(N=CC(C)C)c1C(N)=O ZINC001174554747 976857417 /nfs/dbraw/zinc/85/74/17/976857417.db2.gz ZMEFLINJYMKQID-UHFFFAOYSA-N 0 1 210.302 2.491 20 0 BEADMN CCOC(=O)CN(CC)CCCC(F)(F)F ZINC000149050750 1167440025 /nfs/dbraw/zinc/44/00/25/1167440025.db2.gz QXSNWWWWFKZADD-UHFFFAOYSA-N 0 1 241.253 2.214 20 0 BEADMN CSc1ccc(C[N@@H+](C)CCC(=O)[O-])s1 ZINC001594194811 977546909 /nfs/dbraw/zinc/54/69/09/977546909.db2.gz MYWGSAXKMJDZAD-UHFFFAOYSA-N 0 1 245.369 2.377 20 0 BEADMN CN1CCC=C(Nc2cccc(F)c2)C1 ZINC001175576622 977578002 /nfs/dbraw/zinc/57/80/02/977578002.db2.gz KPAUXDOXFUZUPA-UHFFFAOYSA-N 0 1 206.264 2.457 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)s1 ZINC001231466345 977599267 /nfs/dbraw/zinc/59/92/67/977599267.db2.gz XHRVRBSLNKGYFN-WCBMZHEXSA-N 0 1 237.324 2.431 20 0 BEADMN CCc1ccc(C[N@H+]2CCN(C)[C@H](C)C2)s1 ZINC001231502509 977619843 /nfs/dbraw/zinc/61/98/43/977619843.db2.gz KHXAWNWKANXQKR-LLVKDONJSA-N 0 1 238.400 2.446 20 0 BEADMN CC[C@@H](C)N(C)Cc1cc(F)cnc1OC ZINC001231739944 977724969 /nfs/dbraw/zinc/72/49/69/977724969.db2.gz MXSYHMKIPNYZIJ-SECBINFHSA-N 0 1 226.295 2.460 20 0 BEADMN Cc1cc(CNC(=O)C2(C(C)C)CCC2)n[nH]1 ZINC001142652569 1167568459 /nfs/dbraw/zinc/56/84/59/1167568459.db2.gz PKTLWHCVBKUUAS-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CCC[C@@H](Nc1nccnc1CN)C1CCC1 ZINC001336665733 977840344 /nfs/dbraw/zinc/84/03/44/977840344.db2.gz MLCAOQFRRFRFTK-LLVKDONJSA-N 0 1 234.347 2.316 20 0 BEADMN Cc1ncn(-c2ccc(C)c(F)c2F)c1N ZINC001176094562 977896291 /nfs/dbraw/zinc/89/62/91/977896291.db2.gz KHDCKQRXMAMMQA-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN CCOCC1CCN(Cc2ccns2)CC1 ZINC001232192358 977916337 /nfs/dbraw/zinc/91/63/37/977916337.db2.gz GMQWRCOJWKYSCA-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN C[C@H]1C[C@H]2CN(Cc3cnsc3)CC[C@H]2O1 ZINC001232224427 977950382 /nfs/dbraw/zinc/95/03/82/977950382.db2.gz KZIIXPWBEKZTJC-ZMLRMANQSA-N 0 1 238.356 2.142 20 0 BEADMN F[C@H]1CCCN(Cc2cnsc2)CC1 ZINC001232224448 977953124 /nfs/dbraw/zinc/95/31/24/977953124.db2.gz LBPYJYIEQXYKFH-JTQLQIEISA-N 0 1 214.309 2.467 20 0 BEADMN C[C@@]1(CNCc2cscn2)CCCC[C@@H]1O ZINC000165196589 1167639155 /nfs/dbraw/zinc/63/91/55/1167639155.db2.gz LZHYHFBCHIMFIE-RYUDHWBXSA-N 0 1 240.372 2.174 20 0 BEADMN CCN(CCOC)Cc1ccc(SC)nc1 ZINC001232325202 978002708 /nfs/dbraw/zinc/00/27/08/978002708.db2.gz WQNMHMHBGDFSAT-UHFFFAOYSA-N 0 1 240.372 2.272 20 0 BEADMN Cc1ccc2sc(CNC[C@@H](C)O)nc2c1 ZINC001336854682 978003478 /nfs/dbraw/zinc/00/34/78/978003478.db2.gz PFEUGYRTXPFCFY-SECBINFHSA-N 0 1 236.340 2.075 20 0 BEADMN Cc1ncc(CN2CCCCC(F)(F)C2)[nH]1 ZINC001232459108 978076827 /nfs/dbraw/zinc/07/68/27/978076827.db2.gz ZQKJJIKOBMEWIB-UHFFFAOYSA-N 0 1 229.274 2.339 20 0 BEADMN Cc1ncc(CN2CCC[C@H]2C(F)(F)F)[nH]1 ZINC001232460991 978093096 /nfs/dbraw/zinc/09/30/96/978093096.db2.gz XLYACJCWJQRZTC-VIFPVBQESA-N 0 1 233.237 2.245 20 0 BEADMN C[C@]1(CF)CCN(Cc2cc(F)ccn2)C1 ZINC001232491302 978130809 /nfs/dbraw/zinc/13/08/09/978130809.db2.gz WLLASHFPOMFMOV-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@@H](CNc1ccnc(N)n1)Cc1cccs1 ZINC001120902509 1167703065 /nfs/dbraw/zinc/70/30/65/1167703065.db2.gz SRGPJCJUEIVWRD-SECBINFHSA-N 0 1 248.355 2.411 20 0 BEADMN Cc1ncc(F)cc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001232991262 1167704125 /nfs/dbraw/zinc/70/41/25/1167704125.db2.gz XAVPMQVUPQWJAR-XYYAHUGASA-N 0 1 238.281 2.176 20 0 BEADMN CN(Cc1cccc(F)c1F)CC1COC1 ZINC001204198025 978372556 /nfs/dbraw/zinc/37/25/56/978372556.db2.gz ISCYFQJWUXEKJV-UHFFFAOYSA-N 0 1 227.254 2.043 20 0 BEADMN C[C@H](c1ncccn1)N(C)CCC1CCOCC1 ZINC000929826461 1167762052 /nfs/dbraw/zinc/76/20/52/1167762052.db2.gz MLHODFKYLMMBTF-GFCCVEGCSA-N 0 1 249.358 2.286 20 0 BEADMN CSCC[C@H](C)N1CCC(=O)C[C@@H]1C ZINC000228967908 1167768504 /nfs/dbraw/zinc/76/85/04/1167768504.db2.gz URCDKFFIGFPYKP-UWVGGRQHSA-N 0 1 215.362 2.181 20 0 BEADMN Oc1cnc(Cl)cc1CN1CCC(F)CC1 ZINC001233033051 978418342 /nfs/dbraw/zinc/41/83/42/978418342.db2.gz YLWDXXYALYQMNP-UHFFFAOYSA-N 0 1 244.697 2.375 20 0 BEADMN Cc1c[nH]c(=O)c(CN2CCC[C@@H](F)C2)c1 ZINC001233193381 978493217 /nfs/dbraw/zinc/49/32/17/978493217.db2.gz ZPMKZTCKFZRABV-LLVKDONJSA-N 0 1 224.279 2.030 20 0 BEADMN COCCOC1CN([C@@H](C)CCC(C)C)C1 ZINC000459478091 1167816725 /nfs/dbraw/zinc/81/67/25/1167816725.db2.gz ZDHDQFBCTFJXJX-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN COCCN(Cc1sncc1C)C(C)C ZINC001233320758 978554804 /nfs/dbraw/zinc/55/48/04/978554804.db2.gz MGBGLCYICIOGDN-UHFFFAOYSA-N 0 1 228.361 2.308 20 0 BEADMN CC[C@@H]1CCC[C@@H](Nc2n[nH]c(N(C)C)n2)C1 ZINC001178677902 978606051 /nfs/dbraw/zinc/60/60/51/978606051.db2.gz OODKCOZQXXHOTI-NXEZZACHSA-N 0 1 237.351 2.251 20 0 BEADMN CC[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233586547 978633346 /nfs/dbraw/zinc/63/33/46/978633346.db2.gz GDYWENXAFPUGHK-RXMQYKEDSA-N 0 1 202.641 2.013 20 0 BEADMN CC[C@H](C)C(=O)NCCCN(C)C/C=C\Cl ZINC001234136906 978780975 /nfs/dbraw/zinc/78/09/75/978780975.db2.gz MDKCDXPDOIYZFR-XOIDGJRKSA-N 0 1 246.782 2.223 20 0 BEADMN C[N@@H+](Cc1cccc(O)c1)C(C)(C)CC(=O)[O-] ZINC001339152912 978806841 /nfs/dbraw/zinc/80/68/41/978806841.db2.gz UMOQVTCFDZCKQT-UHFFFAOYSA-N 0 1 237.299 2.077 20 0 BEADMN C=C(F)C(=O)Nc1nc(Cl)cc2[nH]cnc21 ZINC001180112674 978822518 /nfs/dbraw/zinc/82/25/18/978822518.db2.gz HLYVIDLGJVFOBG-UHFFFAOYSA-N 0 1 240.625 2.033 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234561953 978861494 /nfs/dbraw/zinc/86/14/94/978861494.db2.gz CPXYJLGTVSOPKR-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN COc1cc(CN2CC[C@H](C)C2)c(F)cn1 ZINC001235311169 979022341 /nfs/dbraw/zinc/02/23/41/979022341.db2.gz HYXSMFWNRCNXRX-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN CCOc1cc(O)cc(CN2CC[C@@H]2C)c1 ZINC001235390849 979036014 /nfs/dbraw/zinc/03/60/14/979036014.db2.gz CAKSHCAOMKFNSC-JTQLQIEISA-N 0 1 221.300 2.385 20 0 BEADMN Cc1nc2ccc(N[C@@H](CO)C(C)(C)C)nc2[nH]1 ZINC001168556942 1168279106 /nfs/dbraw/zinc/27/91/06/1168279106.db2.gz BQRXSYQZDAGHKM-JTQLQIEISA-N 0 1 248.330 2.085 20 0 BEADMN CCc1nc(CSc2nnc(C)[nH]2)cs1 ZINC000029243535 1168292111 /nfs/dbraw/zinc/29/21/11/1168292111.db2.gz VDLKGQSTTWZVSR-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1nc(CSc2nc(C)n[nH]2)cs1 ZINC000029243535 1168292120 /nfs/dbraw/zinc/29/21/20/1168292120.db2.gz VDLKGQSTTWZVSR-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CCc1cc(=O)n(Cc2cccc(F)c2)[nH]1 ZINC000116605399 1168309131 /nfs/dbraw/zinc/30/91/31/1168309131.db2.gz SNOZQQKJFDAHGB-UHFFFAOYSA-N 0 1 220.247 2.339 20 0 BEADMN c1nc2ccc(C[C@@H]3CCCO3)cc2[nH]1 ZINC001250105128 979781627 /nfs/dbraw/zinc/78/16/27/979781627.db2.gz XPXHUGXIEYIGLA-JTQLQIEISA-N 0 1 202.257 2.284 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC1CC=CC1 ZINC001605004485 979789971 /nfs/dbraw/zinc/78/99/71/979789971.db2.gz WQLDHWMSFVCXCG-ZYHUDNBSSA-N 0 1 223.316 2.280 20 0 BEADMN CC[C@H](C)[N@@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001604963678 979787767 /nfs/dbraw/zinc/78/77/67/979787767.db2.gz VFQDDCVGBCQKED-GXSJLCMTSA-N 0 1 241.331 2.254 20 0 BEADMN CC[N@@H+](CCSC)Cc1cc(C(=O)[O-])co1 ZINC001605453515 979875395 /nfs/dbraw/zinc/87/53/95/979875395.db2.gz SCHIFGTXVGMOMC-UHFFFAOYSA-N 0 1 243.328 2.163 20 0 BEADMN COc1nc(C[N@@H+](C)CCCF)ccc1C ZINC001183895918 979900487 /nfs/dbraw/zinc/90/04/87/979900487.db2.gz DVPDNDZKYGOZMO-UHFFFAOYSA-N 0 1 226.295 2.190 20 0 BEADMN COc1nc(CN(C)CCCF)ccc1C ZINC001183895918 979900496 /nfs/dbraw/zinc/90/04/96/979900496.db2.gz DVPDNDZKYGOZMO-UHFFFAOYSA-N 0 1 226.295 2.190 20 0 BEADMN O=C([O-])CCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC001606160093 979962395 /nfs/dbraw/zinc/96/23/95/979962395.db2.gz MZKQBBZDYFIUIE-LLVKDONJSA-N 0 1 247.285 2.363 20 0 BEADMN C[C@@H]1CCN1Cc1ccnc(OC(F)F)c1 ZINC001237610382 979972657 /nfs/dbraw/zinc/97/26/57/979972657.db2.gz FWNWKNKSYSXGDB-MRVPVSSYSA-N 0 1 228.242 2.277 20 0 BEADMN Cc1ncc(CNC[C@H]2CCC3(CCC3)O2)o1 ZINC000711480717 1168405969 /nfs/dbraw/zinc/40/59/69/1168405969.db2.gz IZVJFLZYGDZHBR-LLVKDONJSA-N 0 1 236.315 2.174 20 0 BEADMN Cc1cc(NC(=O)[C@H]2CCCN2C)c(C)cc1O ZINC000335786547 1168431020 /nfs/dbraw/zinc/43/10/20/1168431020.db2.gz XOHQKABSKAJWRH-GFCCVEGCSA-N 0 1 248.326 2.042 20 0 BEADMN CC1(C)CCN(Cc2c(N)ccnc2F)C1 ZINC001238157680 980179640 /nfs/dbraw/zinc/17/96/40/980179640.db2.gz XGTCTTWRIGUSRV-UHFFFAOYSA-N 0 1 223.295 2.035 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(F)c(OC)c2)C1 ZINC001238462264 980272590 /nfs/dbraw/zinc/27/25/90/980272590.db2.gz IXRCDPPOBSOSMB-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN CC(C)Cc1cc(=O)n(-c2nccs2)[nH]1 ZINC000227306348 1168476510 /nfs/dbraw/zinc/47/65/10/1168476510.db2.gz REMDXJQNYURUDK-UHFFFAOYSA-N 0 1 223.301 2.233 20 0 BEADMN COc1ccc(NCc2cc(C)[nH]n2)cc1 ZINC000381603041 1168479630 /nfs/dbraw/zinc/47/96/30/1168479630.db2.gz ORULEVVJJPWKCO-UHFFFAOYSA-N 0 1 217.272 2.339 20 0 BEADMN COCCCc1cc2[nH]ncc2c(F)c1 ZINC001250302391 980717361 /nfs/dbraw/zinc/71/73/61/980717361.db2.gz FQYYXASOZCVPNU-UHFFFAOYSA-N 0 1 208.236 2.281 20 0 BEADMN C[C@@H](NCc1csnn1)C1CC(F)(F)C1 ZINC001349632160 981602551 /nfs/dbraw/zinc/60/25/51/981602551.db2.gz GWAUYFAMFPPOKV-ZCFIWIBFSA-N 0 1 233.287 2.062 20 0 BEADMN CCC(CC)COC(=O)N[C@@H]1CCCN(C)C1 ZINC001194714697 981870819 /nfs/dbraw/zinc/87/08/19/981870819.db2.gz LXKVDLMBYJNZMC-GFCCVEGCSA-N 0 1 242.363 2.243 20 0 BEADMN O=C(Nc1cc(O)c(F)c(F)c1)OCCF ZINC001194967203 982008294 /nfs/dbraw/zinc/00/82/94/982008294.db2.gz NMJDCCBSSMGZHS-UHFFFAOYSA-N 0 1 235.161 2.188 20 0 BEADMN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1CCCC1CCC1 ZINC001195687308 982335350 /nfs/dbraw/zinc/33/53/50/982335350.db2.gz VKKFGASQLHNRJX-QJPTWQEYSA-N 0 1 238.375 2.164 20 0 BEADMN O=C(c1cc(Cl)c(F)cc1O)N1CC=CC1 ZINC001196453895 1168814384 /nfs/dbraw/zinc/81/43/84/1168814384.db2.gz PIHHXUHKKKXHIG-UHFFFAOYSA-N 0 1 241.649 2.197 20 0 BEADMN CN1CC=C(c2ccc(C(F)(F)F)nn2)CC1 ZINC001241308982 982447855 /nfs/dbraw/zinc/44/78/55/982447855.db2.gz OPSCVBMKNJNTHF-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CN1CC=C(c2nccnc2C(F)(F)F)CC1 ZINC001241310634 982457647 /nfs/dbraw/zinc/45/76/47/982457647.db2.gz IRHTWNWDZGXNEQ-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CCC[C@@H]([NH2+]Cc1ccc(OCC)o1)C(=O)[O-] ZINC001352141803 982480641 /nfs/dbraw/zinc/48/06/41/982480641.db2.gz IYZBVYBPZICVKC-SNVBAGLBSA-N 0 1 241.287 2.021 20 0 BEADMN CCCCCCN1CC(N(C)C(=O)CC)C1 ZINC001671090085 1168833205 /nfs/dbraw/zinc/83/32/05/1168833205.db2.gz HOKHBDODQKMXDQ-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN FC(F)CN[C@H]1CCN(Cc2ccccc2)C1 ZINC000136573747 1168838950 /nfs/dbraw/zinc/83/89/50/1168838950.db2.gz MGRAHTRCKPNEER-LBPRGKRZSA-N 0 1 240.297 2.116 20 0 BEADMN Cc1nc(CN2[C@H](C)CC[C@@H]2CO)c(C)s1 ZINC001197335958 982559033 /nfs/dbraw/zinc/55/90/33/982559033.db2.gz SEYDCODJAXHHDT-LDYMZIIASA-N 0 1 240.372 2.105 20 0 BEADMN CC1=CC[N@@H+](CCC2(C(=O)[O-])CCC2)CC1 ZINC001589257111 982679407 /nfs/dbraw/zinc/67/94/07/982679407.db2.gz WNNHCYMUOVIFAB-UHFFFAOYSA-N 0 1 223.316 2.283 20 0 BEADMN CCC[C@H](C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777175335 1168882459 /nfs/dbraw/zinc/88/24/59/1168882459.db2.gz QJXGQUNPCUHIBZ-JTQLQIEISA-N 0 1 249.358 2.136 20 0 BEADMN CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)[O-] ZINC001589585497 982841975 /nfs/dbraw/zinc/84/19/75/982841975.db2.gz KKHOVHRJVQVJJQ-LLVKDONJSA-N 0 1 237.299 2.163 20 0 BEADMN C(CN1CC2(C1)CCCCO2)C1CCOCC1 ZINC001202621139 1168958268 /nfs/dbraw/zinc/95/82/68/1168958268.db2.gz KFUWHZGIQIGPFZ-UHFFFAOYSA-N 0 1 239.359 2.058 20 0 BEADMN FCCn1cnc(N=C2CCSCC2)c1 ZINC001201333903 983191092 /nfs/dbraw/zinc/19/10/92/983191092.db2.gz MLFYZVSVXXGYHI-UHFFFAOYSA-N 0 1 227.308 2.285 20 0 BEADMN CCCC[C@H](CC)CN1CCN(C#N)CC1 ZINC001201572291 983335576 /nfs/dbraw/zinc/33/55/76/983335576.db2.gz GJRLSUDOQBSDTH-ZDUSSCGKSA-N 0 1 223.364 2.301 20 0 BEADMN Cc1cnc(NCCc2cnoc2)c(C)c1 ZINC000719310268 1169054284 /nfs/dbraw/zinc/05/42/84/1169054284.db2.gz YCUKBZWZGOHKRD-UHFFFAOYSA-N 0 1 217.272 2.341 20 0 BEADMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)C1CCC1 ZINC000719734537 1169063872 /nfs/dbraw/zinc/06/38/72/1169063872.db2.gz DKDGHLOUZTVQTK-ZCFIWIBFSA-N 0 1 228.679 2.403 20 0 BEADMN CSCCCN1CCC(=O)C(C)(C)C1 ZINC001201691711 983438529 /nfs/dbraw/zinc/43/85/29/983438529.db2.gz BSOJBNFHUZCWRR-UHFFFAOYSA-N 0 1 215.362 2.041 20 0 BEADMN CCCCCC[C@H](C)N1CCN(C)C(=O)C1 ZINC001257362891 1169080721 /nfs/dbraw/zinc/08/07/21/1169080721.db2.gz HJVMMXCDHCAHGA-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN COc1ccnc(NCc2ccns2)c1 ZINC001201813235 983484193 /nfs/dbraw/zinc/48/41/93/983484193.db2.gz DHXAVSXJIUYCOK-UHFFFAOYSA-N 0 1 221.285 2.159 20 0 BEADMN CCCN(CC(=O)OC(C)C)C(C)C ZINC000043447002 1169087866 /nfs/dbraw/zinc/08/78/66/1169087866.db2.gz ALBYBUDORRMEKU-UHFFFAOYSA-N 0 1 201.310 2.058 20 0 BEADMN NCc1nccnc1Oc1ccc(F)c(F)c1 ZINC000054378691 1169138251 /nfs/dbraw/zinc/13/82/51/1169138251.db2.gz MUQWZLJESKGAGG-UHFFFAOYSA-N 0 1 237.209 2.006 20 0 BEADMN Cc1cccc2c(CN3CCCO3)n[nH]c21 ZINC001137141859 983966710 /nfs/dbraw/zinc/96/67/10/983966710.db2.gz LXOBFDNBNWJHKF-UHFFFAOYSA-N 0 1 217.272 2.009 20 0 BEADMN Cc1csc(CN2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001137153533 983989780 /nfs/dbraw/zinc/98/97/80/983989780.db2.gz YJULXJXKRVIVHI-GHMZBOCLSA-N 0 1 243.347 2.209 20 0 BEADMN c1nc2c(s1)CN([C@H]1CCSC1)CC2 ZINC001255291291 1169246013 /nfs/dbraw/zinc/24/60/13/1169246013.db2.gz SOXCRXSDNJUXTE-QMMMGPOBSA-N 0 1 226.370 2.007 20 0 BEADMN CCC[N@@H+](CC(C)C)[C@H](C(=O)[O-])C1CC1 ZINC000308997253 950662129 /nfs/dbraw/zinc/66/21/29/950662129.db2.gz KFMMMMUMLPQRES-NSHDSACASA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1(SC)CCC1 ZINC000308838730 950656756 /nfs/dbraw/zinc/65/67/56/950656756.db2.gz XPXVMYAEAFKFFJ-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN CCOC(=O)/C=C\C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000394895861 1169257065 /nfs/dbraw/zinc/25/70/65/1169257065.db2.gz CHJKODJGGDMOGU-FOQNGQEVSA-N 0 1 248.326 2.194 20 0 BEADMN CCOC(=O)/C=C\CN(C)[C@H](C)c1ccncc1 ZINC000394895861 1169257076 /nfs/dbraw/zinc/25/70/76/1169257076.db2.gz CHJKODJGGDMOGU-FOQNGQEVSA-N 0 1 248.326 2.194 20 0 BEADMN CCOC(=O)/C=C/C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000394895855 1169258424 /nfs/dbraw/zinc/25/84/24/1169258424.db2.gz CHJKODJGGDMOGU-BTDICHCPSA-N 0 1 248.326 2.194 20 0 BEADMN CCOC(=O)/C=C/CN(C)[C@H](C)c1ccncc1 ZINC000394895855 1169258428 /nfs/dbraw/zinc/25/84/28/1169258428.db2.gz CHJKODJGGDMOGU-BTDICHCPSA-N 0 1 248.326 2.194 20 0 BEADMN CC(=O)[C@@H]1CN([C@@H]2CC[C@H](C)[C@@H](C)C2)CCO1 ZINC001172384144 974727432 /nfs/dbraw/zinc/72/74/32/974727432.db2.gz UJWCOHHUKZKXRG-VTPLQMEGSA-N 0 1 239.359 2.101 20 0 BEADMN C[C@H](c1cccs1)N(C)CC[S@](C)=O ZINC000798194074 1169295193 /nfs/dbraw/zinc/29/51/93/1169295193.db2.gz ULGGCKZHYFSMJW-OTYXRUKQSA-N 0 1 231.386 2.119 20 0 BEADMN CO[C@@H]1CN([C@@H](C)CCOCC(C)C)C[C@@H]1F ZINC001172472447 974768558 /nfs/dbraw/zinc/76/85/58/974768558.db2.gz IZZKSKJJFFQZFS-RWMBFGLXSA-N 0 1 247.354 2.106 20 0 BEADMN CO[C@@H]1CN([C@H](C)CCOCC(C)C)C[C@@H]1F ZINC001172472444 974769477 /nfs/dbraw/zinc/76/94/77/974769477.db2.gz IZZKSKJJFFQZFS-FRRDWIJNSA-N 0 1 247.354 2.106 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@H](O)CC1 ZINC001117746928 1169305889 /nfs/dbraw/zinc/30/58/89/1169305889.db2.gz QPSXTAYRSPQMNQ-NSHDSACASA-N 0 1 238.331 2.145 20 0 BEADMN CC(C)OCC[C@@H](C)N1CC2(C1)CCCCO2 ZINC001172442995 974802305 /nfs/dbraw/zinc/80/23/05/974802305.db2.gz LPBKFKMAKVXTAR-CYBMUJFWSA-N 0 1 241.375 2.445 20 0 BEADMN CC(C)OCC[C@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001172442268 974802420 /nfs/dbraw/zinc/80/24/20/974802420.db2.gz HWRHASXXAWSIDK-NWDGAFQWSA-N 0 1 245.338 2.193 20 0 BEADMN CC(C)c1ncc(C(=O)N2OC3CCC2CC3)[nH]1 ZINC001119112428 1169314164 /nfs/dbraw/zinc/31/41/64/1169314164.db2.gz XKJGYKSZWDRFQW-UHFFFAOYSA-N 0 1 249.314 2.232 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140272556 1169369903 /nfs/dbraw/zinc/36/99/03/1169369903.db2.gz APAUMGFJAYMZQS-NWDGAFQWSA-N 0 1 232.327 2.409 20 0 BEADMN CCCCCC[C@@H](CC)OCc1nn[nH]n1 ZINC001223028274 972809284 /nfs/dbraw/zinc/80/92/84/972809284.db2.gz ZROVFDUUGMQIFB-SNVBAGLBSA-N 0 1 226.324 2.465 20 0 BEADMN CCN1CC[C@@H]1C(=O)N(CCC(C)C)C1CC1 ZINC001141441073 1169387864 /nfs/dbraw/zinc/38/78/64/1169387864.db2.gz PRQUAYKVGPAUQH-CYBMUJFWSA-N 0 1 238.375 2.118 20 0 BEADMN CCN1CC[C@H]1C(=O)N(CCC(C)C)C1CC1 ZINC001141441074 1169388128 /nfs/dbraw/zinc/38/81/28/1169388128.db2.gz PRQUAYKVGPAUQH-ZDUSSCGKSA-N 0 1 238.375 2.118 20 0 BEADMN CCC/C=C/C(=O)N1CCN(C(C)(C)C)CC1 ZINC001328221522 972907792 /nfs/dbraw/zinc/90/77/92/972907792.db2.gz JXZPKUXAUJNUHC-BQYQJAHWSA-N 0 1 238.375 2.285 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(C)c(O)c1 ZINC001150082305 1169408561 /nfs/dbraw/zinc/40/85/61/1169408561.db2.gz TVMMVWYXPTYASE-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@H](C)CCC(C)C ZINC001256370488 970781520 /nfs/dbraw/zinc/78/15/20/970781520.db2.gz ITLUFNTWNYUGFU-MNOVXSKESA-N 0 1 215.337 2.304 20 0 BEADMN Cc1nnc(Nc2cc3n[nH]cc3c(F)c2)o1 ZINC001215552509 970787691 /nfs/dbraw/zinc/78/76/91/970787691.db2.gz PXGWTKZOBQUWLV-UHFFFAOYSA-N 0 1 233.206 2.137 20 0 BEADMN Cc1cnn(C)c1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554066 970788331 /nfs/dbraw/zinc/78/83/31/970788331.db2.gz USRPSUVVTXTVBK-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN C[N@H+]1CCC12CN(CCCc1ccccc1F)C2 ZINC001276727285 970806867 /nfs/dbraw/zinc/80/68/67/970806867.db2.gz OUNYQKHMQPLPHW-UHFFFAOYSA-N 0 1 248.345 2.148 20 0 BEADMN COc1cc(F)c(Nc2ccncc2)cc1OC ZINC001215717178 970813759 /nfs/dbraw/zinc/81/37/59/970813759.db2.gz XEPOEYYKJWSCHU-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCC(=O)[C@H](C)CC1 ZINC001256409108 970816035 /nfs/dbraw/zinc/81/60/35/970816035.db2.gz BAVFNQCWMZIZPV-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@H](F)C[C@H]1C ZINC001256411435 970819515 /nfs/dbraw/zinc/81/95/15/970819515.db2.gz RDYUAMRDOFKDLD-IJLUTSLNSA-N 0 1 222.307 2.445 20 0 BEADMN Cc1ccc(Nc2cncn2C)c2c[nH]nc21 ZINC001215755665 970827769 /nfs/dbraw/zinc/82/77/69/970827769.db2.gz WDNHGWQFVMIWCJ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC(C)[C@H]1CN([C@H](C)Cc2ccccn2)CCO1 ZINC001256425695 970833177 /nfs/dbraw/zinc/83/31/77/970833177.db2.gz IMTZJDGXVMDDAU-UKRRQHHQSA-N 0 1 248.370 2.369 20 0 BEADMN COc1ccc(Nc2ccncc2)c2c[nH]nc21 ZINC001215763637 970835878 /nfs/dbraw/zinc/83/58/78/970835878.db2.gz ADZKYMFKBAOUKB-UHFFFAOYSA-N 0 1 240.266 2.132 20 0 BEADMN CC(C)Cc1nnc(-c2[nH]ncc2Cl)o1 ZINC001256472740 970850779 /nfs/dbraw/zinc/85/07/79/970850779.db2.gz NYIHWUIMHRNIGD-UHFFFAOYSA-N 0 1 226.667 2.312 20 0 BEADMN CSc1ncc(-n2cnc(C)c2N)cc1C ZINC001215827765 970859764 /nfs/dbraw/zinc/85/97/64/970859764.db2.gz LXKINHSMWAALQK-UHFFFAOYSA-N 0 1 234.328 2.188 20 0 BEADMN CSc1ccc(-n2cnc(C)c2N)c(C)n1 ZINC001215907152 970873606 /nfs/dbraw/zinc/87/36/06/970873606.db2.gz QIMJCSAQNOYDIL-UHFFFAOYSA-N 0 1 234.328 2.188 20 0 BEADMN Oc1ccc(-c2ccc3[nH]nnc3c2)c(F)c1 ZINC001206057707 970869286 /nfs/dbraw/zinc/86/92/86/970869286.db2.gz KQDQOZPDPLUHEJ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1ccc(-c2ccc3nn[nH]c3c2)c(F)c1 ZINC001206057707 970869291 /nfs/dbraw/zinc/86/92/91/970869291.db2.gz KQDQOZPDPLUHEJ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COc1ccc(-n2cncc2N)c(C)c1C ZINC001215973453 970885012 /nfs/dbraw/zinc/88/50/12/970885012.db2.gz KXQIBTGLVRVZIT-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CCOc1ccc(-n2cncc2N)c(C)c1C ZINC001215989037 970889926 /nfs/dbraw/zinc/88/99/26/970889926.db2.gz UIZFFCWYRLFOAC-UHFFFAOYSA-N 0 1 231.299 2.470 20 0 BEADMN CC[C@@H]1[C@H](CO)CCN1CC=C(Cl)Cl ZINC000403320161 970904160 /nfs/dbraw/zinc/90/41/60/970904160.db2.gz ANJFPYLBVJJURE-DTWKUNHWSA-N 0 1 238.158 2.398 20 0 BEADMN CCc1cc(Nc2ccncc2)ccc1N ZINC001216034702 970907117 /nfs/dbraw/zinc/90/71/17/970907117.db2.gz ICSAEELLWHRLBL-UHFFFAOYSA-N 0 1 213.284 2.392 20 0 BEADMN CCc1n[nH]cc1-c1nnc([C@H]2C[C@H]2C)o1 ZINC001256707876 970928061 /nfs/dbraw/zinc/92/80/61/970928061.db2.gz CIZNZOMSKMBQOQ-RQJHMYQMSA-N 0 1 218.260 2.146 20 0 BEADMN Cc1cc(Nc2ccncc2)cc(O)c1F ZINC001216078036 970930492 /nfs/dbraw/zinc/93/04/92/970930492.db2.gz ZAGSVHNJSRHTJJ-UHFFFAOYSA-N 0 1 218.231 2.400 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCCC(=O)[C@H](C)C1 ZINC001256736353 970963720 /nfs/dbraw/zinc/96/37/20/970963720.db2.gz OOOUQADOMIDZQN-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCC[C@@H](F)C1 ZINC001256742727 970972082 /nfs/dbraw/zinc/97/20/82/970972082.db2.gz PDZSCIXNXJXROI-DGCLKSJQSA-N 0 1 222.307 2.447 20 0 BEADMN C[C@H](Cc1ccncc1)N1CCC[C@H](F)C1 ZINC001256742729 970972864 /nfs/dbraw/zinc/97/28/64/970972864.db2.gz PDZSCIXNXJXROI-YPMHNXCESA-N 0 1 222.307 2.447 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCC[C@@H](F)C1 ZINC001256742728 970975351 /nfs/dbraw/zinc/97/53/51/970975351.db2.gz PDZSCIXNXJXROI-WCQYABFASA-N 0 1 222.307 2.447 20 0 BEADMN Cc1cccc(CCN2CCOC3(CC3)C2)c1 ZINC001207537148 1169493103 /nfs/dbraw/zinc/49/31/03/1169493103.db2.gz UYJPNULQTPPAIP-UHFFFAOYSA-N 0 1 231.339 2.402 20 0 BEADMN c1ccc([C@@H]2C[C@@H](N3CCOCC3)CCO2)cc1 ZINC001256808210 970990979 /nfs/dbraw/zinc/99/09/79/970990979.db2.gz UOINPYPGLRIGBT-GJZGRUSLSA-N 0 1 247.338 2.239 20 0 BEADMN c1ccc([C@H]2C[C@H](N3CCOCC3)CCO2)cc1 ZINC001256808211 970992885 /nfs/dbraw/zinc/99/28/85/970992885.db2.gz UOINPYPGLRIGBT-HUUCEWRRSA-N 0 1 247.338 2.239 20 0 BEADMN OCC[C@@H]1CCCN(CC=C(Cl)Cl)C1 ZINC000403679653 971011459 /nfs/dbraw/zinc/01/14/59/971011459.db2.gz WFOOWVYHZWVEOK-VIFPVBQESA-N 0 1 238.158 2.400 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(O)c1C ZINC001216319048 971031946 /nfs/dbraw/zinc/03/19/46/971031946.db2.gz OFQVYRWRYSUDMW-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN OC[C@H]1CCCN(CC=C(Cl)Cl)CC1 ZINC000403739839 971033658 /nfs/dbraw/zinc/03/36/58/971033658.db2.gz MEMKFOIXOKTDAV-VIFPVBQESA-N 0 1 238.158 2.400 20 0 BEADMN CC[C@H]1CN(CC=C(Cl)Cl)C[C@@H]1O ZINC000403787330 971038997 /nfs/dbraw/zinc/03/89/97/971038997.db2.gz ZOTDDQRVAAXURD-YUMQZZPRSA-N 0 1 224.131 2.008 20 0 BEADMN COC(=O)c1cc(F)ccc1C1=CNCCC1 ZINC001243953427 971053792 /nfs/dbraw/zinc/05/37/92/971053792.db2.gz XIGXZQQSJLNRKN-UHFFFAOYSA-N 0 1 235.258 2.337 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@H](F)C2)C1 ZINC001257062565 971083207 /nfs/dbraw/zinc/08/32/07/971083207.db2.gz MKXZFVRQBNTEEZ-UTUOFQBUSA-N 0 1 243.322 2.152 20 0 BEADMN Cc1coc(CN[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001257070984 971083591 /nfs/dbraw/zinc/08/35/91/971083591.db2.gz UIOADLRDGOQKFN-JGPRNRPPSA-N 0 1 224.304 2.029 20 0 BEADMN Cc1ncn(-c2cc(F)cc(C(C)(C)O)c2)c1N ZINC001216489552 971097947 /nfs/dbraw/zinc/09/79/47/971097947.db2.gz QECPGJQUPDZWDM-UHFFFAOYSA-N 0 1 249.289 2.129 20 0 BEADMN Clc1nncc(N=C2CCCOC2)c1Cl ZINC001216505791 971105453 /nfs/dbraw/zinc/10/54/53/971105453.db2.gz PFEDKRHWJNDXGS-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN C[C@H]1CC(N2CCn3cccc3C2)C[C@H](C)O1 ZINC001257097871 971111917 /nfs/dbraw/zinc/11/19/17/971111917.db2.gz QDLHIJGZTJGROD-RYUDHWBXSA-N 0 1 234.343 2.260 20 0 BEADMN Cn1cncc1Nc1cncc(OCC2CC2)c1 ZINC001216597825 971138320 /nfs/dbraw/zinc/13/83/20/971138320.db2.gz AWBWJLDKPCBNRH-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN CCC[C@@H](CC)NCc1ncc(F)cn1 ZINC001257244051 971138800 /nfs/dbraw/zinc/13/88/00/971138800.db2.gz JMEHVQQXMKCUDG-SNVBAGLBSA-N 0 1 211.284 2.284 20 0 BEADMN Cc1ncn(-c2ccc3onc(C)c3c2)c1N ZINC001216638459 971143184 /nfs/dbraw/zinc/14/31/84/971143184.db2.gz KZKUPFGZMAZOEK-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN OCCCN(Cc1ccnc(Cl)c1)C1CC1 ZINC000404302887 971152092 /nfs/dbraw/zinc/15/20/92/971152092.db2.gz IATBVZABEIJICU-UHFFFAOYSA-N 0 1 240.734 2.082 20 0 BEADMN OCCCN(Cc1cccc(Cl)n1)C1CC1 ZINC000404319408 971153532 /nfs/dbraw/zinc/15/35/32/971153532.db2.gz YMJUUTHMVQIASM-UHFFFAOYSA-N 0 1 240.734 2.082 20 0 BEADMN CCn1ccnc1NCc1cc(C)ns1 ZINC000404412682 971160006 /nfs/dbraw/zinc/16/00/06/971160006.db2.gz DSLXYBYKXPLPFZ-UHFFFAOYSA-N 0 1 222.317 2.280 20 0 BEADMN CCC[C@H](CC)N1CCn2ccnc2C1 ZINC001257259775 971161828 /nfs/dbraw/zinc/16/18/28/971161828.db2.gz OJBWJRNGWPWPFB-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN CCC[C@H](CC)N1CCN(C(C)C)C(=O)C1 ZINC001257265228 971163709 /nfs/dbraw/zinc/16/37/09/971163709.db2.gz BSXARLRGFPCFKV-LBPRGKRZSA-N 0 1 226.364 2.118 20 0 BEADMN CCn1cc(CNCCC2=CCCCC2)nn1 ZINC000404486489 971172007 /nfs/dbraw/zinc/17/20/07/971172007.db2.gz CEQLEBWLTYFIFA-UHFFFAOYSA-N 0 1 234.347 2.278 20 0 BEADMN Cc1cc2c(cccc2Nc2cncn2C)nn1 ZINC001211250996 1169532021 /nfs/dbraw/zinc/53/20/21/1169532021.db2.gz SQSODRNTZPPGDF-UHFFFAOYSA-N 0 1 239.282 2.415 20 0 BEADMN Nc1ccc(F)cc1-c1nccc2[nH]cnc21 ZINC001244393554 971237595 /nfs/dbraw/zinc/23/75/95/971237595.db2.gz GCCWUBXFEPETCL-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Nc1ccc(F)cc1-c1[nH]ccc2ncnc1-2 ZINC001244393554 971237597 /nfs/dbraw/zinc/23/75/97/971237597.db2.gz GCCWUBXFEPETCL-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CCCC(CCC)N(C)CC(=O)OC ZINC001257341087 971252387 /nfs/dbraw/zinc/25/23/87/971252387.db2.gz SCCWPDOXNWWPIN-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1coc(C)n1 ZINC001206068418 971253655 /nfs/dbraw/zinc/25/36/55/971253655.db2.gz XXKFOZNVYIPZCO-GFCCVEGCSA-N 0 1 238.331 2.372 20 0 BEADMN CCCCCC[C@@H](C)N1CCO[C@@H](CO)C1 ZINC001257362507 971277484 /nfs/dbraw/zinc/27/74/84/971277484.db2.gz CWSRERZWBBETAB-CHWSQXEVSA-N 0 1 229.364 2.038 20 0 BEADMN CCCCCC[C@@H](CC)N1CCNC(=O)C1 ZINC001170591485 971302001 /nfs/dbraw/zinc/30/20/01/971302001.db2.gz DUEHGWWYYFBKRW-GFCCVEGCSA-N 0 1 226.364 2.167 20 0 BEADMN Nc1ncc(-c2cc(F)c(O)c(Cl)c2)cn1 ZINC001244501705 971313156 /nfs/dbraw/zinc/31/31/56/971313156.db2.gz CXLHESIXSJYOBQ-UHFFFAOYSA-N 0 1 239.637 2.224 20 0 BEADMN CCCC[C@H](CC)n1c(C)nnc1CN ZINC001257419120 971314777 /nfs/dbraw/zinc/31/47/77/971314777.db2.gz SIJWIDPFPYAVLX-JTQLQIEISA-N 0 1 210.325 2.187 20 0 BEADMN CCCC[C@H](CC)N1CC(OC(C)=O)C1 ZINC001257423592 971323520 /nfs/dbraw/zinc/32/35/20/971323520.db2.gz SKPFNYMDGHOGFT-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN CCCC[C@H](CC)N1CCN(CC)C(=O)C1 ZINC001257425625 971328332 /nfs/dbraw/zinc/32/83/32/971328332.db2.gz WHIGTXYCFDXRSC-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC[C@H](C)NC1(c2ccc(OC)cc2)COC1 ZINC001257430597 971337549 /nfs/dbraw/zinc/33/75/49/971337549.db2.gz ZIICQUCVEOQLGC-NSHDSACASA-N 0 1 235.327 2.309 20 0 BEADMN CC(C)Cc1nnc([C@H]2NCCC[C@@H]2C)o1 ZINC001217702094 971338460 /nfs/dbraw/zinc/33/84/60/971338460.db2.gz HYICRWFZKJACGB-ONGXEEELSA-N 0 1 223.320 2.329 20 0 BEADMN CC(C)Cc1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702461 971344329 /nfs/dbraw/zinc/34/43/29/971344329.db2.gz KQLVKWAJXNADOZ-NXEZZACHSA-N 0 1 223.320 2.329 20 0 BEADMN CN[C@@H](Cc1ccccc1)c1nnc(C2CC2)o1 ZINC001217703709 971345640 /nfs/dbraw/zinc/34/56/40/971345640.db2.gz PIXAIVJJPSRJRM-LBPRGKRZSA-N 0 1 243.310 2.450 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@H]2CC[C@@H](C)CN2)o1 ZINC001217702165 971346183 /nfs/dbraw/zinc/34/61/83/971346183.db2.gz JHESHBKRWWWBIR-DOLQZWNJSA-N 0 1 221.304 2.254 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217732891 971370888 /nfs/dbraw/zinc/37/08/88/971370888.db2.gz JDZWKPFBXBWEGO-DKCNOQQISA-N 0 1 209.293 2.023 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc(C2CCC2)o1 ZINC001217732837 971371387 /nfs/dbraw/zinc/37/13/87/971371387.db2.gz GXUOTLYKUOFHEG-LLVKDONJSA-N 0 1 209.293 2.167 20 0 BEADMN CC(C)C[C@@](C)(N)c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217734120 971372309 /nfs/dbraw/zinc/37/23/09/971372309.db2.gz SNIKZCAMXLCJCQ-HOTUBEGUSA-N 0 1 223.320 2.413 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CC(NC(C)=O)C1 ZINC001257483118 971407399 /nfs/dbraw/zinc/40/73/99/971407399.db2.gz UOSYJEXNFRRBSP-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@@H](C)N1CCN(C#N)CC1 ZINC001257517943 971441928 /nfs/dbraw/zinc/44/19/28/971441928.db2.gz GQPNBKPBAPVXQP-GFCCVEGCSA-N 0 1 209.337 2.054 20 0 BEADMN c1cc2n(c1)CCN([C@H]1CCCSC1)C2 ZINC001257678176 971483505 /nfs/dbraw/zinc/48/35/05/971483505.db2.gz RLLYSGUJJVFKPL-LBPRGKRZSA-N 0 1 222.357 2.199 20 0 BEADMN CC(C)OC1CCC(N2CCO[C@@H]3C[C@@H]32)CC1 ZINC001257884632 971520289 /nfs/dbraw/zinc/52/02/89/971520289.db2.gz YWCTWLJKTIPUQX-CLRIEMFWSA-N 0 1 239.359 2.196 20 0 BEADMN CC[C@@H]([NH2+][C@@H](CC)C(=O)[O-])c1nccs1 ZINC000082759009 949026618 /nfs/dbraw/zinc/02/66/18/949026618.db2.gz UVDGOVFAQFVXFK-SFYZADRCSA-N 0 1 228.317 2.047 20 0 BEADMN C[C@H](Nc1cccc2cc[nH+]cc21)C(=O)[O-] ZINC000087521293 949092701 /nfs/dbraw/zinc/09/27/01/949092701.db2.gz LCDLEKORDZHKMK-QMMMGPOBSA-N 0 1 216.240 2.120 20 0 BEADMN CCOC(=O)CC1CCC(NCC(F)F)CC1 ZINC001258020736 971558957 /nfs/dbraw/zinc/55/89/57/971558957.db2.gz YGSDLDBIMDIGIY-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN CC(C)[C@H]1CCCCC[N@H+]1CCC(=O)[O-] ZINC000108329340 949216854 /nfs/dbraw/zinc/21/68/54/949216854.db2.gz CBFAJNANZLLXPP-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCC(F)(F)F)C1 ZINC000123728875 949249662 /nfs/dbraw/zinc/24/96/62/949249662.db2.gz FNCUVLLJEGTAOW-SECBINFHSA-N 0 1 239.237 2.126 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCc2cc(Cl)ccc21 ZINC000127940385 949274886 /nfs/dbraw/zinc/27/48/86/949274886.db2.gz AJDCJMYSWITRKT-LLVKDONJSA-N 0 1 239.702 2.344 20 0 BEADMN OC1CC(Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001218256399 971652758 /nfs/dbraw/zinc/65/27/58/971652758.db2.gz ABNJMYHCXAFNLT-UHFFFAOYSA-N 0 1 238.674 2.118 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](N3Cc4cncnc4C3)C[C@@H]21 ZINC001170737907 971684216 /nfs/dbraw/zinc/68/42/16/971684216.db2.gz CZHZHRDGIXFUNR-CNDDSTCGSA-N 0 1 229.327 2.227 20 0 BEADMN CN(Cc1ncccn1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739096 971692464 /nfs/dbraw/zinc/69/24/64/971692464.db2.gz NZHJAGIRLGHZQS-CNDDSTCGSA-N 0 1 231.343 2.343 20 0 BEADMN O[C@H]1C[C@H](Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001218358871 971729937 /nfs/dbraw/zinc/72/99/37/971729937.db2.gz ABNJMYHCXAFNLT-ZKCHVHJHSA-N 0 1 238.674 2.118 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000399063982 951629761 /nfs/dbraw/zinc/62/97/61/951629761.db2.gz OUFLFOLMTJWERM-IJLUTSLNSA-N 0 1 248.326 2.185 20 0 BEADMN NCc1nc2ccccc2n1[C@H]1CCCOCC1 ZINC001170771578 971785820 /nfs/dbraw/zinc/78/58/20/971785820.db2.gz VUTXYPWFPALDPJ-NSHDSACASA-N 0 1 245.326 2.237 20 0 BEADMN CCC=CNc1ccc(N2CCN(C)CC2)cn1 ZINC001170771352 971786167 /nfs/dbraw/zinc/78/61/67/971786167.db2.gz CDQHTQWBSPGIOK-QPJJXVBHSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H]2C=CCCC2)n1 ZINC001229438250 1169661301 /nfs/dbraw/zinc/66/13/01/1169661301.db2.gz FVNYAIQMDCQAGO-VIFPVBQESA-N 0 1 230.271 2.149 20 0 BEADMN Cc1ccc(F)c(CN[C@@H]2COC(C)(C)C2)n1 ZINC001172276015 974493666 /nfs/dbraw/zinc/49/36/66/974493666.db2.gz BPFPPPYUWDIPDW-JTQLQIEISA-N 0 1 238.306 2.186 20 0 BEADMN CC1=C(C)C[N@@H+](CCCCC(=O)[O-])CC1 ZINC000382525103 971818624 /nfs/dbraw/zinc/81/86/24/971818624.db2.gz FICSHAFBTQAFCX-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN C[C@@H](O)[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000309901887 971877278 /nfs/dbraw/zinc/87/72/78/971877278.db2.gz IBJKFVOXPDLGFG-HRDYMLBCSA-N 0 1 229.270 2.385 20 0 BEADMN O=C(NCCCC1CCCC1)c1[nH]ncc1F ZINC001135388721 971884556 /nfs/dbraw/zinc/88/45/56/971884556.db2.gz KNPJOYFJAYGQEE-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN CCC(CC)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001135551219 971917965 /nfs/dbraw/zinc/91/79/65/971917965.db2.gz XOASZYGLGMWWAA-VIFPVBQESA-N 0 1 249.358 2.453 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)N1CC(C)(OC)C1 ZINC001172334983 974597498 /nfs/dbraw/zinc/59/74/98/974597498.db2.gz DXVTYOOOHVMYSF-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@H]1COCC[C@H]1Nc1ccnc2c1ccn2C ZINC001170833134 971947024 /nfs/dbraw/zinc/94/70/24/971947024.db2.gz VPLAELZHZWPJJZ-ZYHUDNBSSA-N 0 1 245.326 2.410 20 0 BEADMN CN(Cc1nccs1)[C@H]1CCCOCC1 ZINC001170831767 971952313 /nfs/dbraw/zinc/95/23/13/971952313.db2.gz SGVSFIRPJSPFRW-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN O=C(Nc1ccncc1)c1ccc(Cl)c(O)c1 ZINC001135772060 971973026 /nfs/dbraw/zinc/97/30/26/971973026.db2.gz WGHMCGCEYUAKAT-UHFFFAOYSA-N 0 1 248.669 2.115 20 0 BEADMN CCc1cccc(CC)c1N[C@](N)(CC)CO ZINC001170865458 971997994 /nfs/dbraw/zinc/99/79/94/971997994.db2.gz FCGPKCLREJIMGI-CQSZACIVSA-N 0 1 236.359 2.281 20 0 BEADMN CC[C@@](N)(CO)Nc1cccc(C(F)F)c1 ZINC001170865330 971998690 /nfs/dbraw/zinc/99/86/90/971998690.db2.gz MRZITFHFYBZYRS-NSHDSACASA-N 0 1 230.258 2.093 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)N(Cc2nnc[nH]2)C1 ZINC001329895281 972092758 /nfs/dbraw/zinc/09/27/58/972092758.db2.gz ORFNCQZWFDFLSI-WCQYABFASA-N 0 1 242.326 2.388 20 0 BEADMN O=c1cc(CO)[nH]n1-c1ccc2ccccc2c1 ZINC001245924928 972099175 /nfs/dbraw/zinc/09/91/75/972099175.db2.gz MWIBYVOYHBIXCL-UHFFFAOYSA-N 0 1 240.262 2.223 20 0 BEADMN CCCCCc1cc(=O)n(Cc2cnn(C)c2)[nH]1 ZINC001245944938 972107213 /nfs/dbraw/zinc/10/72/13/972107213.db2.gz VEDUALQBCJFXPZ-UHFFFAOYSA-N 0 1 248.330 2.103 20 0 BEADMN CC1(C)CCCN(C(=O)CN2CCCC2)CC1 ZINC000820265824 972126450 /nfs/dbraw/zinc/12/64/50/972126450.db2.gz OZYQXRTXPFICSS-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Fc1cccc2c1C[C@@H](NCc1cocn1)CC2 ZINC001170955656 972152534 /nfs/dbraw/zinc/15/25/34/972152534.db2.gz NVLHQERAGSGKQB-NSHDSACASA-N 0 1 246.285 2.461 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccsn1 ZINC001136430373 972167504 /nfs/dbraw/zinc/16/75/04/972167504.db2.gz OELIOCVILLVSLN-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN CC[C@@H](CC(C)C)NCc1nnc(C)o1 ZINC001172403164 974653605 /nfs/dbraw/zinc/65/36/05/974653605.db2.gz ZJZGDDJKBCZZHN-JTQLQIEISA-N 0 1 211.309 2.292 20 0 BEADMN CN1CCC=C(c2cc(F)cc3nccnc32)C1 ZINC001241571283 1169731775 /nfs/dbraw/zinc/73/17/75/1169731775.db2.gz XPYITJOCJFHZIG-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@@H]1CCc2cccc(F)c2C1 ZINC001170971923 972194346 /nfs/dbraw/zinc/19/43/46/972194346.db2.gz OHXAOIFABVOELG-CYBMUJFWSA-N 0 1 249.353 2.168 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H]1CCc2cccc(F)c2C1 ZINC001170971923 972194352 /nfs/dbraw/zinc/19/43/52/972194352.db2.gz OHXAOIFABVOELG-CYBMUJFWSA-N 0 1 249.353 2.168 20 0 BEADMN C[C@@]1(F)CCN(CCCn2cccn2)C[C@H]1F ZINC001208080176 956931546 /nfs/dbraw/zinc/93/15/46/956931546.db2.gz AWYWZDUGDZSBII-VXGBXAGGSA-N 0 1 243.301 2.045 20 0 BEADMN CCN(CCn1cccn1)c1cc(C)c(C)cn1 ZINC001167061111 957035719 /nfs/dbraw/zinc/03/57/19/957035719.db2.gz BYOMLLDYGAFIPP-UHFFFAOYSA-N 0 1 244.342 2.421 20 0 BEADMN Cc1ncc(Nc2cc(C)cnc2F)n1C ZINC001211501936 957078619 /nfs/dbraw/zinc/07/86/19/957078619.db2.gz UEOQGIWZHCETJY-UHFFFAOYSA-N 0 1 220.251 2.315 20 0 BEADMN Cl/C=C/CNCc1cccc2c1OCC2 ZINC000692980810 957209372 /nfs/dbraw/zinc/20/93/72/957209372.db2.gz DOTYAHCTZYRIKV-QHHAFSJGSA-N 0 1 223.703 2.464 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)c1ccc(CN)o1 ZINC000396784937 957250319 /nfs/dbraw/zinc/25/03/19/957250319.db2.gz QCDCPQBNTRQGFX-SNVBAGLBSA-N 0 1 236.315 2.143 20 0 BEADMN CCC[N@@H+](CCCCC(=O)[O-])C(C)C ZINC000037096408 957263343 /nfs/dbraw/zinc/26/33/43/957263343.db2.gz FGAVEAKUTYIBSS-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN COc1ccnc(N2Cc3cnc(C)cc3C2)c1 ZINC001167107518 957380225 /nfs/dbraw/zinc/38/02/25/957380225.db2.gz VEGWUBSNJRVRHQ-UHFFFAOYSA-N 0 1 241.294 2.314 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1cc(C)on1 ZINC001206818832 957399049 /nfs/dbraw/zinc/39/90/49/957399049.db2.gz IYEVZYVGZGUIJG-GFCCVEGCSA-N 0 1 238.331 2.372 20 0 BEADMN CC(C)CCN(C)c1cc(C(=O)[O-])cc[nH+]1 ZINC000042457805 957418801 /nfs/dbraw/zinc/41/88/01/957418801.db2.gz OALOYSPYJDCBLA-UHFFFAOYSA-N 0 1 222.288 2.262 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1cccc(F)c1F)C(=O)[O-] ZINC000042707534 957427148 /nfs/dbraw/zinc/42/71/48/957427148.db2.gz UUSPGXFXROIJMV-MRVPVSSYSA-N 0 1 243.253 2.117 20 0 BEADMN CSc1ncc2c(n1)CN(C[C@H]1C[C@H]1C)CC2 ZINC001209433545 957466314 /nfs/dbraw/zinc/46/63/14/957466314.db2.gz UXNOPEBQZUXMCH-MWLCHTKSSA-N 0 1 249.383 2.213 20 0 BEADMN Cc1ccc2[nH]cc(CN3CC4(COC4)C3)c2c1 ZINC001209489582 957486571 /nfs/dbraw/zinc/48/65/71/957486571.db2.gz KEKKAIURWZXVRG-UHFFFAOYSA-N 0 1 242.322 2.309 20 0 BEADMN Cc1cnc(N2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1C ZINC001167171979 957518405 /nfs/dbraw/zinc/51/84/05/957518405.db2.gz MNFWOIKUTKCZGL-JHJVBQTASA-N 0 1 232.327 2.170 20 0 BEADMN Cc1cc(C)nc(N2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001167211116 957544693 /nfs/dbraw/zinc/54/46/93/957544693.db2.gz BKZXTYHRBZWHKG-CHWSQXEVSA-N 0 1 232.327 2.314 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000061171590 957577182 /nfs/dbraw/zinc/57/71/82/957577182.db2.gz BQZNMNSGBFVCDV-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN CCCCC[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000061177083 957577919 /nfs/dbraw/zinc/57/79/19/957577919.db2.gz MBRBFVLUWLWKOA-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(Cl)nc(C)n1 ZINC001209961136 957582277 /nfs/dbraw/zinc/58/22/77/957582277.db2.gz DBFJEEQOSWXVFL-UHFFFAOYSA-N 0 1 249.705 2.468 20 0 BEADMN Cc1cc(N)ncc1Nc1cn(C(C)C)cn1 ZINC001209967526 957587792 /nfs/dbraw/zinc/58/77/92/957587792.db2.gz PXNJGWGRYSVORV-UHFFFAOYSA-N 0 1 231.303 2.493 20 0 BEADMN Cc1cc(N)ncc1Nc1ncc(F)cc1F ZINC001209968600 957590004 /nfs/dbraw/zinc/59/00/04/957590004.db2.gz WMLAMZWQPLELSL-UHFFFAOYSA-N 0 1 236.225 2.389 20 0 BEADMN FC(F)(F)[C@@H]1CCCCN1Cc1cnc[nH]1 ZINC001136870219 972278807 /nfs/dbraw/zinc/27/88/07/972278807.db2.gz SPZRFUIKVOGMOV-VIFPVBQESA-N 0 1 233.237 2.327 20 0 BEADMN Cc1c(Cl)ncc(F)c1N[C@H]1CCN(C)C1 ZINC001167275301 957618391 /nfs/dbraw/zinc/61/83/91/957618391.db2.gz MAPOEUHVSHOWET-QMMMGPOBSA-N 0 1 243.713 2.299 20 0 BEADMN Nc1cncn1-c1ccc(OC(F)F)cc1 ZINC001210326491 957721687 /nfs/dbraw/zinc/72/16/87/957721687.db2.gz RCRNVSKIYIUEAT-UHFFFAOYSA-N 0 1 225.198 2.056 20 0 BEADMN c1c(CN2CCC3(CC3)C2)nc2ccccn12 ZINC001136876759 972290590 /nfs/dbraw/zinc/29/05/90/972290590.db2.gz HYTSTMWLULBIMT-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN c1c(CN2CCC[C@@H]3C[C@@H]32)nc2ccccn12 ZINC001136883014 972292315 /nfs/dbraw/zinc/29/23/15/972292315.db2.gz SYJWMABSQLHJIY-YPMHNXCESA-N 0 1 227.311 2.319 20 0 BEADMN Cc1ccc([C@H]2CCCN2Cc2cnc[nH]2)cn1 ZINC001136871916 972293012 /nfs/dbraw/zinc/29/30/12/972293012.db2.gz SOHQQOWDOMWMJP-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN C[C@@H](C1CC1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000083415723 957824906 /nfs/dbraw/zinc/82/49/06/957824906.db2.gz OPFYWZFTJUHFJH-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000083662709 957831911 /nfs/dbraw/zinc/83/19/11/957831911.db2.gz GQZQLRFJYZEMNR-UHFFFAOYSA-N 0 1 241.237 2.014 20 0 BEADMN CCCN(C)Cc1ncc2ccccn21 ZINC001207048177 957842267 /nfs/dbraw/zinc/84/22/67/957842267.db2.gz BXVNJWKDOVTMNY-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN CC(C)(C)Oc1ccnc(NC2CC(=O)C2)c1 ZINC001167347912 957844428 /nfs/dbraw/zinc/84/44/28/957844428.db2.gz IKHMCHLWDCXHQH-UHFFFAOYSA-N 0 1 234.299 2.402 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)nc2)C[C@H]1C ZINC000824815152 972300938 /nfs/dbraw/zinc/30/09/38/972300938.db2.gz IVJHWKWTDRUPGJ-ZYHUDNBSSA-N 0 1 238.306 2.078 20 0 BEADMN c1nc(CNC2C[C@H]3CC[C@@H](C2)S3)co1 ZINC000403646255 957911185 /nfs/dbraw/zinc/91/11/85/957911185.db2.gz RZCJGNGTGXKSKX-UQPYNNQESA-N 0 1 224.329 2.191 20 0 BEADMN CC(C)=CC[N@H+](CCNC(=O)C(C)C)C1CC1 ZINC001266583698 957914452 /nfs/dbraw/zinc/91/44/52/957914452.db2.gz HMXKAUSRNSGOPI-UHFFFAOYSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H](NC(=O)[C@@](C)(N)c1ccccc1)C1(C)CC1 ZINC000706518363 957938063 /nfs/dbraw/zinc/93/80/63/957938063.db2.gz IQBXISGTWUQOPH-ABAIWWIYSA-N 0 1 246.354 2.165 20 0 BEADMN C[C@@H](C1CC1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616155 958023010 /nfs/dbraw/zinc/02/30/10/958023010.db2.gz UVCXLBKDKWNGIO-IINYFYTJSA-N 0 1 245.322 2.469 20 0 BEADMN O=C([O-])c1cc[nH+]c(NC[C@H]2CCCS2)c1 ZINC000087669372 958029344 /nfs/dbraw/zinc/02/93/44/958029344.db2.gz VOAFHLOWJJQSJR-SECBINFHSA-N 0 1 238.312 2.087 20 0 BEADMN Cn1cncc1Nc1nc2c(s1)CCC2 ZINC001211245975 958104452 /nfs/dbraw/zinc/10/44/52/958104452.db2.gz WOPKMIXRIVPUCX-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN COc1cc(Cl)ncc1Nc1cncn1C ZINC001211247824 958110172 /nfs/dbraw/zinc/11/01/72/958110172.db2.gz GDHTTWGALBJHSJ-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1cnc2ccccc2n1 ZINC001211246949 958111402 /nfs/dbraw/zinc/11/14/02/958111402.db2.gz YWDZKPKSDLRPLY-UHFFFAOYSA-N 0 1 225.255 2.107 20 0 BEADMN CSc1cc(Nc2cncn2C)ccn1 ZINC001211248433 958111797 /nfs/dbraw/zinc/11/17/97/958111797.db2.gz MDVXQPISMPYFKY-UHFFFAOYSA-N 0 1 220.301 2.281 20 0 BEADMN Cc1ccc(N)cc1Nc1cncn1C ZINC001211250468 958115271 /nfs/dbraw/zinc/11/52/71/958115271.db2.gz KWPMDWNULUFKMF-UHFFFAOYSA-N 0 1 202.261 2.054 20 0 BEADMN Cc1cc(N)c(Nc2cncn2C)cc1F ZINC001211249896 958116139 /nfs/dbraw/zinc/11/61/39/958116139.db2.gz GOYAPFMORKZIAR-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN Cn1cncc1Nc1cccc2c1COC2 ZINC001211251771 958119058 /nfs/dbraw/zinc/11/90/58/958119058.db2.gz OVTKQXZUCKZWGY-UHFFFAOYSA-N 0 1 215.256 2.194 20 0 BEADMN CC(=O)Oc1ccc(F)c(Nc2cncn2C)c1 ZINC001211254341 958119428 /nfs/dbraw/zinc/11/94/28/958119428.db2.gz SPUGBASOMBVYFT-UHFFFAOYSA-N 0 1 249.245 2.228 20 0 BEADMN Cn1cncc1Nc1ccc2nnsc2c1 ZINC001211252885 958120481 /nfs/dbraw/zinc/12/04/81/958120481.db2.gz ZLDXNBSGFBYOFD-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN Cn1cncc1Nc1cccc2c1OCCC2 ZINC001211251790 958121818 /nfs/dbraw/zinc/12/18/18/958121818.db2.gz PDHIYTAVMOCTSR-UHFFFAOYSA-N 0 1 229.283 2.489 20 0 BEADMN Nc1nccc(N[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC001348008726 958244485 /nfs/dbraw/zinc/24/44/85/958244485.db2.gz FJGIUZQCKSHWOK-NWDGAFQWSA-N 0 1 240.310 2.102 20 0 BEADMN COc1cc(-n2cnc(C)c2N)cc(C)c1F ZINC001215701888 958278121 /nfs/dbraw/zinc/27/81/21/958278121.db2.gz WXDKSKJACKYPJD-UHFFFAOYSA-N 0 1 235.262 2.219 20 0 BEADMN COc1cncc(Nc2c(C)ncn2C)c1C ZINC001215732761 958292559 /nfs/dbraw/zinc/29/25/59/958292559.db2.gz IHUKPELAKYMWFQ-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137041048 972338446 /nfs/dbraw/zinc/33/84/46/972338446.db2.gz GWPVOCSAVSZARW-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC001137041048 972338451 /nfs/dbraw/zinc/33/84/51/972338451.db2.gz GWPVOCSAVSZARW-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2[nH]cnc2c1 ZINC001137041048 972338455 /nfs/dbraw/zinc/33/84/55/972338455.db2.gz GWPVOCSAVSZARW-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2nc[nH]c2c1 ZINC001137041048 972338461 /nfs/dbraw/zinc/33/84/61/972338461.db2.gz GWPVOCSAVSZARW-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN Cc1ccc(F)cc1C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000097850446 958352171 /nfs/dbraw/zinc/35/21/71/958352171.db2.gz HJYCICVBXWVVAB-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2CC(=O)[O-])C[C@H]1C ZINC000123567828 958504368 /nfs/dbraw/zinc/50/43/68/958504368.db2.gz YJTAHDWVLJJEEF-TXEJJXNPSA-N 0 1 247.338 2.402 20 0 BEADMN C[C@@H]1C[C@H](C)CN1c1cc(C(=O)[O-])cc[nH+]1 ZINC000123851588 958510130 /nfs/dbraw/zinc/51/01/30/958510130.db2.gz NQGDIRKLUHTNED-DTWKUNHWSA-N 0 1 220.272 2.015 20 0 BEADMN Cc1[nH+]c(N(C)Cc2ccco2)ccc1C(=O)[O-] ZINC000124170078 958521314 /nfs/dbraw/zinc/52/13/14/958521314.db2.gz UOMRRUDAHIKFNO-UHFFFAOYSA-N 0 1 246.266 2.318 20 0 BEADMN Cc1c(F)cc(F)cc1CN(C)[C@@H]1CCOC1 ZINC001143764767 972357671 /nfs/dbraw/zinc/35/76/71/972357671.db2.gz ZJGXWKDPWAHZNC-GFCCVEGCSA-N 0 1 241.281 2.494 20 0 BEADMN Cc1c[nH]c(CN[C@@H](C)COc2ccccc2)n1 ZINC000693498496 958578086 /nfs/dbraw/zinc/57/80/86/958578086.db2.gz FUSGQHHYWXDYAB-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CCC[C@@H](O)C1 ZINC001143757127 972361518 /nfs/dbraw/zinc/36/15/18/972361518.db2.gz QRQSPJWWGDTSNE-GFCCVEGCSA-N 0 1 241.281 2.230 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(F)cc(F)c2C)C1 ZINC001143757680 972362153 /nfs/dbraw/zinc/36/21/53/972362153.db2.gz JGIXYNSERAQBJJ-GFCCVEGCSA-N 0 1 241.281 2.494 20 0 BEADMN CC[N@H+]1CC[C@H](OCC(=O)c2cccs2)C1 ZINC001222082559 972364221 /nfs/dbraw/zinc/36/42/21/972364221.db2.gz TZORSNGUNKLXIR-JTQLQIEISA-N 0 1 239.340 2.042 20 0 BEADMN Cc1c(F)cc(F)cc1CN1C[C@H](O)[C@@H](C)C1 ZINC001143757810 972363685 /nfs/dbraw/zinc/36/36/85/972363685.db2.gz NWCXIYMSVFCGHU-SDBXPKJASA-N 0 1 241.281 2.086 20 0 BEADMN CON1CCN(Cc2ccccc2C2CC2)CC1 ZINC001327054548 972380819 /nfs/dbraw/zinc/38/08/19/972380819.db2.gz WLUXMEFUXQROFF-UHFFFAOYSA-N 0 1 246.354 2.243 20 0 BEADMN C#CCN(Cc1cnn(C(C)(C)C)c1)CC1CC1 ZINC000092099654 958856172 /nfs/dbraw/zinc/85/61/72/958856172.db2.gz BYLPAQVXJIOATB-UHFFFAOYSA-N 0 1 245.370 2.483 20 0 BEADMN Cc1nc[nH]c1CN1CCC(C)(F)CC1 ZINC001204588435 958897172 /nfs/dbraw/zinc/89/71/72/958897172.db2.gz ARLMSRWFALCTQP-UHFFFAOYSA-N 0 1 211.284 2.042 20 0 BEADMN O=C(CCC1CCCCC1)OCc1nnc[nH]1 ZINC001327070864 972389362 /nfs/dbraw/zinc/38/93/62/972389362.db2.gz QGKWRLIXBCMXMB-UHFFFAOYSA-N 0 1 237.303 2.208 20 0 BEADMN C(=C/C1CC1)\CNCc1cn2ccccc2n1 ZINC000393617224 958982559 /nfs/dbraw/zinc/98/25/59/958982559.db2.gz MCBFOWPNRSNZFL-ONEGZZNKSA-N 0 1 227.311 2.390 20 0 BEADMN Cn1cncc1Nc1cccc(Cl)c1N ZINC001216524423 959027846 /nfs/dbraw/zinc/02/78/46/959027846.db2.gz IMICTIALAKLNBK-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN CC(=O)CNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001167629636 959143591 /nfs/dbraw/zinc/14/35/91/959143591.db2.gz NEHGZZCIKBSAOB-ZDUSSCGKSA-N 0 1 247.342 2.239 20 0 BEADMN CC(=O)CNc1ccc([C@@H]2CCCCN2C)cn1 ZINC001167629636 959143612 /nfs/dbraw/zinc/14/36/12/959143612.db2.gz NEHGZZCIKBSAOB-ZDUSSCGKSA-N 0 1 247.342 2.239 20 0 BEADMN COc1nc(Nc2ccn(C(C)C)c2)cc(=O)[nH]1 ZINC001203159054 959212724 /nfs/dbraw/zinc/21/27/24/959212724.db2.gz IUYFYHMBJYCSEQ-UHFFFAOYSA-N 0 1 248.286 2.317 20 0 BEADMN Cc1nc[nH]c1C(=O)N(C)c1ccsc1 ZINC001143920073 972411440 /nfs/dbraw/zinc/41/14/40/972411440.db2.gz GNAWHFADNCXFHM-UHFFFAOYSA-N 0 1 221.285 2.056 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2(C)CCC2)n[nH]1 ZINC001327129831 972427420 /nfs/dbraw/zinc/42/74/20/972427420.db2.gz PYMQMXZMAQQPPR-MRVPVSSYSA-N 0 1 237.303 2.162 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C2=C(C)CCC2)n[nH]1 ZINC001327132755 972428324 /nfs/dbraw/zinc/42/83/24/972428324.db2.gz DEOHVTYBSPJVTK-VIFPVBQESA-N 0 1 249.314 2.472 20 0 BEADMN COc1c(F)c(C)ccc1-c1cnc(CN)nc1 ZINC001222310767 972437858 /nfs/dbraw/zinc/43/78/58/972437858.db2.gz WIXWEVHBDKFOER-UHFFFAOYSA-N 0 1 247.273 2.058 20 0 BEADMN CCCc1nnc([C@H]2NCCC[C@@H]2C)o1 ZINC001217702487 959562106 /nfs/dbraw/zinc/56/21/06/959562106.db2.gz KTPWEDQSYRMOGL-WPRPVWTQSA-N 0 1 209.293 2.083 20 0 BEADMN CC(C)(C)C[C@@H](CO)NCc1nccs1 ZINC000309077886 959582379 /nfs/dbraw/zinc/58/23/79/959582379.db2.gz MTYSVTHFOCOOLO-VIFPVBQESA-N 0 1 228.361 2.030 20 0 BEADMN C[C@H]1CC[C@@H]1NCc1noc2c1CCCC2 ZINC000309782312 959695445 /nfs/dbraw/zinc/69/54/45/959695445.db2.gz NEACBGKRRHDCRQ-ONGXEEELSA-N 0 1 220.316 2.442 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](CC(C)C)C1CC1 ZINC000215690878 959761291 /nfs/dbraw/zinc/76/12/91/959761291.db2.gz VBKKNKIDPIIURH-POHAHGRESA-N 0 1 211.305 2.138 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1ccccc1F ZINC000924564872 959832125 /nfs/dbraw/zinc/83/21/25/959832125.db2.gz SPPPFYDUUGWCBX-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN CC[N@H+]1CCC[C@@H](Nc2cccc(C(=O)[O-])c2)C1 ZINC000227669803 959965244 /nfs/dbraw/zinc/96/52/44/959965244.db2.gz DNKCBAZMQXFOGZ-CYBMUJFWSA-N 0 1 248.326 2.281 20 0 BEADMN C/C=C/C=C/C(=O)N1CCN(C(C)(C)C)CC1 ZINC001143996964 972469954 /nfs/dbraw/zinc/46/99/54/972469954.db2.gz CNXOHBRHDJYIKU-BSWSSELBSA-N 0 1 236.359 2.061 20 0 BEADMN Clc1ccccc1-c1cc2c(nn1)CNC2 ZINC001222422656 972470919 /nfs/dbraw/zinc/47/09/19/972470919.db2.gz GALSRNLGPXXZTR-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN CC(=O)C1CCN(Cc2ncccc2C)CC1 ZINC000166190731 960022199 /nfs/dbraw/zinc/02/21/99/960022199.db2.gz YJCRWANWFIKMEN-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1cncs1 ZINC000695091880 960092851 /nfs/dbraw/zinc/09/28/51/960092851.db2.gz QDWCRPOGDOAKCH-JTQLQIEISA-N 0 1 242.344 2.074 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cncs1 ZINC000695091880 960092855 /nfs/dbraw/zinc/09/28/55/960092855.db2.gz QDWCRPOGDOAKCH-JTQLQIEISA-N 0 1 242.344 2.074 20 0 BEADMN CC[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CCC1 ZINC000230322480 960142796 /nfs/dbraw/zinc/14/27/96/960142796.db2.gz KOXOMSXLYONMNV-UHFFFAOYSA-N 0 1 248.326 2.402 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC3CCC2CC3)o1 ZINC000310555479 960187102 /nfs/dbraw/zinc/18/71/02/960187102.db2.gz YCWXBYRMQLQMIT-UHFFFAOYSA-N 0 1 235.283 2.352 20 0 BEADMN Cc1cc(CN[C@H](C)C2(Cl)CC2)on1 ZINC000695676346 960347200 /nfs/dbraw/zinc/34/72/00/960347200.db2.gz WRSQZRKMTPCZCX-MRVPVSSYSA-N 0 1 214.696 2.233 20 0 BEADMN C[C@H](C[C@@H]1CCOC1)N[C@@H](C)C(F)F ZINC000689790551 960372995 /nfs/dbraw/zinc/37/29/95/960372995.db2.gz DVEGGGUOYUYPSG-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000235372692 960423380 /nfs/dbraw/zinc/42/33/80/960423380.db2.gz IHAJVEVEJUBUPV-HONMWMINSA-N 0 1 245.322 2.326 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001140590134 960442676 /nfs/dbraw/zinc/44/26/76/960442676.db2.gz XSVKJDXWYTWFFV-QWHCGFSZSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1nn(C)c(C)c1CN1CCCC[C@H](F)C1 ZINC001203051443 960454837 /nfs/dbraw/zinc/45/48/37/960454837.db2.gz BKFSDTJDWMCXIC-LBPRGKRZSA-N 0 1 239.338 2.361 20 0 BEADMN CC[N@@H+](Cc1cccc2ccncc21)C1COC1 ZINC001140643743 960476121 /nfs/dbraw/zinc/47/61/21/960476121.db2.gz KMVOGQZHQRRBBV-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN CCN(Cc1cccc2ccncc21)C1COC1 ZINC001140643743 960476124 /nfs/dbraw/zinc/47/61/24/960476124.db2.gz KMVOGQZHQRRBBV-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN COc1nccc(CN2CCCCC23CC3)n1 ZINC001140692631 960500129 /nfs/dbraw/zinc/50/01/29/960500129.db2.gz GAJSHAHYTPEOIH-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN OC1CC2(C1)CN(CCCc1ccccc1F)C2 ZINC001207490326 960526519 /nfs/dbraw/zinc/52/65/19/960526519.db2.gz QBWGKGOKGGTWJJ-UHFFFAOYSA-N 0 1 249.329 2.215 20 0 BEADMN F[C@H]1CSC2(CN(Cc3cc[nH]c3)C2)C1 ZINC001140709059 960531237 /nfs/dbraw/zinc/53/12/37/960531237.db2.gz RBLIZOPAWRRYFJ-SNVBAGLBSA-N 0 1 226.320 2.044 20 0 BEADMN Cn1cnc2ccc(CN3CC(C)(C)C3)cc21 ZINC001140733934 960534181 /nfs/dbraw/zinc/53/41/81/960534181.db2.gz ANKMZHUBWJFICZ-UHFFFAOYSA-N 0 1 229.327 2.415 20 0 BEADMN CC(C)(O)CC=Nc1ncc(Cl)nc1Cl ZINC001203210075 960573717 /nfs/dbraw/zinc/57/37/17/960573717.db2.gz URFYNCPYVCIADL-ONEGZZNKSA-N 0 1 248.113 2.480 20 0 BEADMN FC1(F)CCN(Cc2c[nH]c3ccncc23)C1 ZINC001140800202 960599420 /nfs/dbraw/zinc/59/94/20/960599420.db2.gz ZENJWSXWMWGGRK-UHFFFAOYSA-N 0 1 237.253 2.404 20 0 BEADMN Cc1cc(CN2CCC[C@](C)(F)C2)n[nH]1 ZINC001203070139 960620853 /nfs/dbraw/zinc/62/08/53/960620853.db2.gz ILNONVSHFBBLTD-NSHDSACASA-N 0 1 211.284 2.042 20 0 BEADMN Cc1cc(CN2CCC[C@@](C)(F)C2)n[nH]1 ZINC001203070138 960625878 /nfs/dbraw/zinc/62/58/78/960625878.db2.gz ILNONVSHFBBLTD-LLVKDONJSA-N 0 1 211.284 2.042 20 0 BEADMN Cc1c[nH]c(CN2CC3(C2)CCCOC3)c1C ZINC001140858706 960635752 /nfs/dbraw/zinc/63/57/52/960635752.db2.gz NJQXXMSHHNBQQS-UHFFFAOYSA-N 0 1 234.343 2.244 20 0 BEADMN Cc1c[nH]c(CN2C[C@H]3CC[C@@H](C2)C3=O)c1C ZINC001140863072 960645849 /nfs/dbraw/zinc/64/58/49/960645849.db2.gz WSWAUPCHNGGLFC-TXEJJXNPSA-N 0 1 232.327 2.042 20 0 BEADMN Cc1cc(CN2Cc3ccc(F)cc3C2)n[nH]1 ZINC001203076614 960675622 /nfs/dbraw/zinc/67/56/22/960675622.db2.gz GXJQHNLRGKHLPQ-UHFFFAOYSA-N 0 1 231.274 2.373 20 0 BEADMN Cc1cc(CN2CC[C@H](c3ccccn3)C2)[nH]n1 ZINC001203077089 960686840 /nfs/dbraw/zinc/68/68/40/960686840.db2.gz RLKKUMZWMFHGNE-LBPRGKRZSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cc(CN2CCc3ccc(F)cc3C2)n[nH]1 ZINC001203076752 960690992 /nfs/dbraw/zinc/69/09/92/960690992.db2.gz JPLFDRMFBYGATR-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN c1ncc(CN2CCC(OC3CCC3)CC2)o1 ZINC001140927861 960693486 /nfs/dbraw/zinc/69/34/86/960693486.db2.gz DACXEFTUVUIWMW-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])o1)C1CC(F)(F)C1 ZINC001140942123 960732616 /nfs/dbraw/zinc/73/26/16/960732616.db2.gz NQMURNVRVAVLOF-UHFFFAOYSA-N 0 1 245.225 2.207 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CC(F)(F)C1 ZINC001140942123 960732631 /nfs/dbraw/zinc/73/26/31/960732631.db2.gz NQMURNVRVAVLOF-UHFFFAOYSA-N 0 1 245.225 2.207 20 0 BEADMN CCN(Cc1cc(C)[nH]n1)CC(F)(F)F ZINC001203082607 960773127 /nfs/dbraw/zinc/77/31/27/960773127.db2.gz VLYSUDYSQBBBLS-UHFFFAOYSA-N 0 1 221.226 2.102 20 0 BEADMN c1coc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC001141007519 960807434 /nfs/dbraw/zinc/80/74/34/960807434.db2.gz PSVWWFZGMDHYTQ-WDEREUQCSA-N 0 1 206.289 2.439 20 0 BEADMN c1coc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC001141007519 960807427 /nfs/dbraw/zinc/80/74/27/960807427.db2.gz PSVWWFZGMDHYTQ-WDEREUQCSA-N 0 1 206.289 2.439 20 0 BEADMN FC(F)(F)c1n[nH]cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001141018119 960815479 /nfs/dbraw/zinc/81/54/79/960815479.db2.gz IXUZFEPREYUKAE-APPZFPTMSA-N 0 1 245.248 2.413 20 0 BEADMN Cc1ncoc1CN1CCC[C@@H](C(F)F)C1 ZINC001141052975 960844677 /nfs/dbraw/zinc/84/46/77/960844677.db2.gz VPNRHIDJASRPKM-SECBINFHSA-N 0 1 230.258 2.460 20 0 BEADMN CCN1CCN(Cc2ccc(C)cc2F)CC1 ZINC001141191751 960923205 /nfs/dbraw/zinc/92/32/05/960923205.db2.gz SWJYGSJNNSPBOJ-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN Cc1cncc(CN2CCC(C)CC2)n1 ZINC001203161001 960989824 /nfs/dbraw/zinc/98/98/24/960989824.db2.gz CSTYZTZJMHITOU-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN Cc1ncc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cn1 ZINC001203107022 961017891 /nfs/dbraw/zinc/01/78/91/961017891.db2.gz ZXCHJMNHSKDZBM-ZIAGYGMSSA-N 0 1 231.343 2.407 20 0 BEADMN CCCCC1(C(=O)NCc2cc(N)ccn2)CC1 ZINC001342378941 961074346 /nfs/dbraw/zinc/07/43/46/961074346.db2.gz HKQCHCNBQKIGPC-UHFFFAOYSA-N 0 1 247.342 2.250 20 0 BEADMN C[C@H]1CCN(Cc2cn3c(n2)COCC3)[C@@H](C)C1 ZINC001141534853 961098435 /nfs/dbraw/zinc/09/84/35/961098435.db2.gz DOMBRCSTEPKXSS-RYUDHWBXSA-N 0 1 249.358 2.034 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cn2c(n1)COCC2 ZINC001141535328 961103145 /nfs/dbraw/zinc/10/31/45/961103145.db2.gz YKXOXVYXMNYVPB-CYBMUJFWSA-N 0 1 249.358 2.178 20 0 BEADMN CC[C@H](C)CC(=O)NC1CN(CCC2CC2)C1 ZINC001481554745 961188162 /nfs/dbraw/zinc/18/81/62/961188162.db2.gz CWVJAWDPOQPDPY-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)CC(=O)NC1CN(CCC2CC2)C1 ZINC001481554742 961189172 /nfs/dbraw/zinc/18/91/72/961189172.db2.gz CWVJAWDPOQPDPY-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CCO[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC001141960357 961195478 /nfs/dbraw/zinc/19/54/78/961195478.db2.gz KKCSYEHRSVZPHW-GFCCVEGCSA-N 0 1 249.310 2.026 20 0 BEADMN FCCN1CCC(OCc2nccs2)CC1 ZINC001223351836 961241432 /nfs/dbraw/zinc/24/14/32/961241432.db2.gz IQIIRNWYYOKXJD-UHFFFAOYSA-N 0 1 244.335 2.094 20 0 BEADMN C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000252184373 961266391 /nfs/dbraw/zinc/26/63/91/961266391.db2.gz QOOOTBCGQUITLF-UTUOFQBUSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](CCC1CCCC1)C(C)(C)C(=O)[O-] ZINC000258785454 961363703 /nfs/dbraw/zinc/36/37/03/961363703.db2.gz LRZLRQZAMACZFU-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN c1cc2c(cc1CN1CCC1)OCCCO2 ZINC001142251056 961371144 /nfs/dbraw/zinc/37/11/44/961371144.db2.gz MJVCUULSZCXRIH-UHFFFAOYSA-N 0 1 219.284 2.054 20 0 BEADMN CCCOCCNc1ccc2nc[nH]c2c1 ZINC001167875315 961411654 /nfs/dbraw/zinc/41/16/54/961411654.db2.gz LUXGQIHWNPBECV-UHFFFAOYSA-N 0 1 219.288 2.401 20 0 BEADMN Clc1nccnc1CN[C@H]1C[C@H]2C[C@H]2C1 ZINC001167895459 961510778 /nfs/dbraw/zinc/51/07/78/961510778.db2.gz UCRBMOJCBXLGQT-BRPSZJMVSA-N 0 1 223.707 2.018 20 0 BEADMN C[N@H+](CCF)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142672571 961580597 /nfs/dbraw/zinc/58/05/97/961580597.db2.gz DQBYOKZBZNFVJZ-UHFFFAOYSA-N 0 1 245.681 2.440 20 0 BEADMN C[N@@H+](CCF)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142672571 961580614 /nfs/dbraw/zinc/58/06/14/961580614.db2.gz DQBYOKZBZNFVJZ-UHFFFAOYSA-N 0 1 245.681 2.440 20 0 BEADMN c1cnn(C2CCN(Cc3ccoc3)CC2)c1 ZINC000092618195 961595157 /nfs/dbraw/zinc/59/51/57/961595157.db2.gz JCMFHHMVTJDUHG-UHFFFAOYSA-N 0 1 231.299 2.313 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@@H](O)CC2)s1 ZINC001139808659 961668934 /nfs/dbraw/zinc/66/89/34/961668934.db2.gz AMJJTMPTNHWGMX-ONGXEEELSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1COC[C@H]1NC1(c2ccccc2F)CC1 ZINC000925883574 961713684 /nfs/dbraw/zinc/71/36/84/961713684.db2.gz KOHIKEOWLKCSTL-ZWNOBZJWSA-N 0 1 235.302 2.439 20 0 BEADMN CCCNc1nc(C)cc(N2CCCC2)n1 ZINC000087805720 961752054 /nfs/dbraw/zinc/75/20/54/961752054.db2.gz JPOKBOWYNYWXDM-UHFFFAOYSA-N 0 1 220.320 2.207 20 0 BEADMN CCN(C)Cc1cc(F)cc(F)c1OC ZINC001143551477 961820166 /nfs/dbraw/zinc/82/01/66/961820166.db2.gz ZTDYDKGFDIGYQF-UHFFFAOYSA-N 0 1 215.243 2.425 20 0 BEADMN Cc1cncc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000300272144 961788033 /nfs/dbraw/zinc/78/80/33/961788033.db2.gz KUPVEKOOXBYWAH-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN COc1c(F)cccc1CN(C)[C@H]1CCOC1 ZINC001143532788 961792011 /nfs/dbraw/zinc/79/20/11/961792011.db2.gz LKWDYARRYOQZTJ-NSHDSACASA-N 0 1 239.290 2.055 20 0 BEADMN CC1(CN2CCC[C@@H]2c2nccs2)COC1 ZINC001207801627 961810903 /nfs/dbraw/zinc/81/09/03/961810903.db2.gz PQLDHPZXFWTNCN-SNVBAGLBSA-N 0 1 238.356 2.317 20 0 BEADMN CC1(CN2CCC[C@H]2c2nccs2)COC1 ZINC001207801626 961813469 /nfs/dbraw/zinc/81/34/69/961813469.db2.gz PQLDHPZXFWTNCN-JTQLQIEISA-N 0 1 238.356 2.317 20 0 BEADMN CC1(C)CN(Cc2cccn3ccnc23)C1 ZINC001142944041 961847403 /nfs/dbraw/zinc/84/74/03/961847403.db2.gz HNRLZVZRYBIKLY-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCCN(C)Cc1cnc2ccc(Cl)nn12 ZINC001142982537 961859785 /nfs/dbraw/zinc/85/97/85/961859785.db2.gz QUBWQTGQUFUKBJ-UHFFFAOYSA-N 0 1 238.722 2.225 20 0 BEADMN F[C@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H]2C[C@@H]21 ZINC001143089700 961876643 /nfs/dbraw/zinc/87/66/43/961876643.db2.gz ZGBMIPBAMBYZQL-GVXVVHGQSA-N 0 1 245.301 2.353 20 0 BEADMN COc1cc(C)cc(OC)c1CN1CC(C)C1 ZINC001143133320 961883413 /nfs/dbraw/zinc/88/34/13/961883413.db2.gz UNVMIKGFRUOSIZ-UHFFFAOYSA-N 0 1 235.327 2.464 20 0 BEADMN COc1cc(C)cc(CN2CC[C@]23CCOC3)c1 ZINC001143164150 961897576 /nfs/dbraw/zinc/89/75/76/961897576.db2.gz WBHJUKJHLJSTFP-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CC[C@H](CC)C1 ZINC000092899257 961946777 /nfs/dbraw/zinc/94/67/77/961946777.db2.gz UIJVUECSNZUHTL-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H]1COCCN(Cc2cc3cccnc3[nH]2)C1 ZINC001143211400 961948898 /nfs/dbraw/zinc/94/88/98/961948898.db2.gz BKAZOKJSRDUVSY-LLVKDONJSA-N 0 1 245.326 2.031 20 0 BEADMN CC(C)(N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000894148971 961971539 /nfs/dbraw/zinc/97/15/39/961971539.db2.gz SFKPETSWIOXYPD-LADJIXMOSA-N 0 1 245.313 2.433 20 0 BEADMN c1cc2n(c1)CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167939849 962152039 /nfs/dbraw/zinc/15/20/39/962152039.db2.gz NTBUNJQPLGEROS-PTEHBNRSSA-N 0 1 202.301 2.102 20 0 BEADMN c1cc2n(c1)CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167939841 962154408 /nfs/dbraw/zinc/15/44/08/962154408.db2.gz NTBUNJQPLGEROS-PJXYFTJBSA-N 0 1 202.301 2.102 20 0 BEADMN C[C@@H]1C[C@H]1NC(=O)c1ccc(Cl)c(O)c1 ZINC001150337004 962160686 /nfs/dbraw/zinc/16/06/86/962160686.db2.gz JIEMMYRAWJZGMV-HZGVNTEJSA-N 0 1 225.675 2.184 20 0 BEADMN CCN(C/C=C/Cl)[C@H](C)CNC(=O)C(C)C ZINC001151948447 962362444 /nfs/dbraw/zinc/36/24/44/962362444.db2.gz GJWKJHRWNVQBTP-XUIVZRPNSA-N 0 1 246.782 2.222 20 0 BEADMN CCN(C/C=C\Cl)[C@H](C)CNC(=O)C(C)C ZINC001151948445 962363415 /nfs/dbraw/zinc/36/34/15/962363415.db2.gz GJWKJHRWNVQBTP-JMEBYUIHSA-N 0 1 246.782 2.222 20 0 BEADMN Cc1csc(CN2CC[C@@H]3OCC[C@H]3C2)n1 ZINC001204379344 962439910 /nfs/dbraw/zinc/43/99/10/962439910.db2.gz MBVBUHMFTPOXHS-QWRGUYRKSA-N 0 1 238.356 2.062 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167953585 962736637 /nfs/dbraw/zinc/73/66/37/962736637.db2.gz SYXVZOFALGCFCB-ZSBIGDGJSA-N 0 1 239.359 2.449 20 0 BEADMN c1ccc([C@@H]2CN([C@@H]3C[C@H]4C[C@H]4C3)CCO2)nc1 ZINC001167953963 962746428 /nfs/dbraw/zinc/74/64/28/962746428.db2.gz YGHHJERYCFVQSF-XFMPKHEZSA-N 0 1 244.338 2.253 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)Nc1nnc(C)[nH]1 ZINC000878929015 962783559 /nfs/dbraw/zinc/78/35/59/962783559.db2.gz BGFHLJXYDWEXMU-CABZTGNLSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1cnc(NCCN2CCCCC2=O)cc1C ZINC001154628826 962816627 /nfs/dbraw/zinc/81/66/27/962816627.db2.gz OZMNBPLEPARTBJ-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)[C@H]1C ZINC001154802040 962852534 /nfs/dbraw/zinc/85/25/34/962852534.db2.gz OCTGTJWUSVUGNG-QWRGUYRKSA-N 0 1 249.358 2.334 20 0 BEADMN CCOc1ccnc(NCc2nccc(C)n2)c1 ZINC001154816355 962854996 /nfs/dbraw/zinc/85/49/96/962854996.db2.gz FVRODFCJSAQYGB-UHFFFAOYSA-N 0 1 244.298 2.191 20 0 BEADMN CCOc1ccnc(NCc2cnoc2C)c1 ZINC001154884849 962884656 /nfs/dbraw/zinc/88/46/56/962884656.db2.gz XYRJRIZASGNJMU-UHFFFAOYSA-N 0 1 233.271 2.389 20 0 BEADMN CCOCC(C)(C)NCc1cnsc1 ZINC000712884779 962997278 /nfs/dbraw/zinc/99/72/78/962997278.db2.gz VNVSLJFONRUAOL-UHFFFAOYSA-N 0 1 214.334 2.048 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccc(F)nc3)C[C@H]12 ZINC001137744034 963020641 /nfs/dbraw/zinc/02/06/41/963020641.db2.gz KZFYSJUTPBIOMA-NEPJUHHUSA-N 0 1 248.301 2.022 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ncccc2F)n1 ZINC001226159453 963084912 /nfs/dbraw/zinc/08/49/12/963084912.db2.gz MMGIMDYYKPWTFD-QMMMGPOBSA-N 0 1 249.245 2.165 20 0 BEADMN COc1cccnc1CN1CCC[C@@H]2C[C@@H]21 ZINC001206656812 963126981 /nfs/dbraw/zinc/12/69/81/963126981.db2.gz PIRBTMAXTKOLBL-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN Cc1[nH+]cc(-c2ccc(C)c(C(=O)[O-])c2)n1C ZINC000304483852 963146983 /nfs/dbraw/zinc/14/69/83/963146983.db2.gz LPIQRZBQDAMNRJ-UHFFFAOYSA-N 0 1 230.267 2.402 20 0 BEADMN Cc1cc(F)cc(CN2CCN(C3CC3)CC2)c1 ZINC001143580823 963172348 /nfs/dbraw/zinc/17/23/48/963172348.db2.gz XQMRLWCOWWYKSL-UHFFFAOYSA-N 0 1 248.345 2.414 20 0 BEADMN CC1CC(N(C)C(=O)c2cccc3cncn32)C1 ZINC001155790072 963174853 /nfs/dbraw/zinc/17/48/53/963174853.db2.gz SXMTZYQCWNQRSH-UHFFFAOYSA-N 0 1 243.310 2.205 20 0 BEADMN CC(C)Oc1ccnc(N2CCOCC23CC3)c1 ZINC001155840524 963184241 /nfs/dbraw/zinc/18/42/41/963184241.db2.gz QXPBCLAALKTMJD-UHFFFAOYSA-N 0 1 248.326 2.238 20 0 BEADMN Cc1cccnc1[C@@H](NCC1=NOCC1)C(C)C ZINC001167995969 963187028 /nfs/dbraw/zinc/18/70/28/963187028.db2.gz AQEDRPACRSRQIQ-ZDUSSCGKSA-N 0 1 247.342 2.453 20 0 BEADMN CCN(CC)C(=O)[C@@H](C)Nc1ccc(C)c(C)n1 ZINC001156363216 963321173 /nfs/dbraw/zinc/32/11/73/963321173.db2.gz KQWAVRDZAIFVSN-GFCCVEGCSA-N 0 1 249.358 2.367 20 0 BEADMN CCN(CC)C(=O)[C@H](C)Nc1ccc(C)c(C)n1 ZINC001156363217 963322877 /nfs/dbraw/zinc/32/28/77/963322877.db2.gz KQWAVRDZAIFVSN-LBPRGKRZSA-N 0 1 249.358 2.367 20 0 BEADMN CCN(CC)C(=O)[C@H](C)Nc1cc(C)c(C)cn1 ZINC001156368237 963326408 /nfs/dbraw/zinc/32/64/08/963326408.db2.gz AXUBJXVOXSUMRZ-LBPRGKRZSA-N 0 1 249.358 2.367 20 0 BEADMN CN(CCC1CC1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000309534753 963354308 /nfs/dbraw/zinc/35/43/08/963354308.db2.gz DXDJUYWNLCFBQX-UHFFFAOYSA-N 0 1 220.272 2.016 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C1CCC(F)(F)CC1 ZINC000309700654 963365164 /nfs/dbraw/zinc/36/51/64/963365164.db2.gz SPXSFCOJHIXFRU-UHFFFAOYSA-N 0 1 235.274 2.361 20 0 BEADMN Cc1cc(F)cc(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC001143589835 963384179 /nfs/dbraw/zinc/38/41/79/963384179.db2.gz HDUKHMYYCYPFSZ-CYBMUJFWSA-N 0 1 223.291 2.355 20 0 BEADMN Cc1cnc(N[C@H]2CCN(C)C2)c(Cl)c1 ZINC001156575290 963388583 /nfs/dbraw/zinc/38/85/83/963388583.db2.gz FJOXVUCGNXFKSO-VIFPVBQESA-N 0 1 225.723 2.159 20 0 BEADMN CCc1ccc(C)nc1NCc1cn(CC)nn1 ZINC000895329929 963410547 /nfs/dbraw/zinc/41/05/47/963410547.db2.gz JZYRIZLOROEZQQ-UHFFFAOYSA-N 0 1 245.330 2.176 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@H]2CCC(F)(F)C2)c1 ZINC000310544000 963414836 /nfs/dbraw/zinc/41/48/36/963414836.db2.gz DBTYAZGUMDZBQZ-QMMMGPOBSA-N 0 1 242.225 2.380 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@@H]2CCC(F)(F)C2)c1 ZINC000310543999 963414846 /nfs/dbraw/zinc/41/48/46/963414846.db2.gz DBTYAZGUMDZBQZ-MRVPVSSYSA-N 0 1 242.225 2.380 20 0 BEADMN CN[C@@H]1CCN1C(C)(C)c1ccnc(Cl)c1 ZINC001156660151 963430663 /nfs/dbraw/zinc/43/06/63/963430663.db2.gz MJBGKZJUBRUCIR-NSHDSACASA-N 0 1 239.750 2.221 20 0 BEADMN C[C@@H]1CN(Cc2cscn2)CCC[C@@]1(C)O ZINC001137591347 963435163 /nfs/dbraw/zinc/43/51/63/963435163.db2.gz LWVIMFVOCVHRRK-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN C/C(=C/C(=O)[O-])Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000311236252 963470822 /nfs/dbraw/zinc/47/08/22/963470822.db2.gz WJDLGAUWJAAPOX-BMMYIHMSSA-N 0 1 248.326 2.285 20 0 BEADMN Cc1ccc(NC(C)(C)CCO)nc1C ZINC001156910243 963493080 /nfs/dbraw/zinc/49/30/80/963493080.db2.gz OJWQWALKQZFOQC-UHFFFAOYSA-N 0 1 208.305 2.271 20 0 BEADMN COc1ccnc(NC2(C3CCOCC3)CC2)c1 ZINC001156911964 963494464 /nfs/dbraw/zinc/49/44/64/963494464.db2.gz FGNPERFCSXWSIH-UHFFFAOYSA-N 0 1 248.326 2.461 20 0 BEADMN COc1c(F)c(F)ccc1-n1cnc(C)c1N ZINC001211892992 963532609 /nfs/dbraw/zinc/53/26/09/963532609.db2.gz STJUEBPUWSRVAQ-UHFFFAOYSA-N 0 1 239.225 2.050 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H](C)C(C)C)[nH]1 ZINC001157120283 963537546 /nfs/dbraw/zinc/53/75/46/963537546.db2.gz TZVMCYACDBDFEW-SNVBAGLBSA-N 0 1 237.347 2.441 20 0 BEADMN CC(C)Oc1ccnc(N(C)Cc2ccno2)c1 ZINC001157348724 963578802 /nfs/dbraw/zinc/57/88/02/963578802.db2.gz LXQGOVWJUUQYDJ-UHFFFAOYSA-N 0 1 247.298 2.493 20 0 BEADMN O=C(CC1CCC1)Nc1ccc2cncn2c1 ZINC001157396266 963592961 /nfs/dbraw/zinc/59/29/61/963592961.db2.gz KGINPVPKRIZLBY-UHFFFAOYSA-N 0 1 229.283 2.463 20 0 BEADMN O=C(C=C1CCC1)Nc1ccc2cncn2c1 ZINC001157396507 963594209 /nfs/dbraw/zinc/59/42/09/963594209.db2.gz MLVZLSGYISQFIL-UHFFFAOYSA-N 0 1 227.267 2.383 20 0 BEADMN CC(=O)N1CCCC[C@@H]1CN(C)C/C=C\Cl ZINC001157407982 963599865 /nfs/dbraw/zinc/59/98/65/963599865.db2.gz HQFXACOEATZBDZ-SMYYYNMVSA-N 0 1 244.766 2.072 20 0 BEADMN C=CC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001356509215 963613244 /nfs/dbraw/zinc/61/32/44/963613244.db2.gz LXKYTGJSVFYVJJ-GFCCVEGCSA-N 0 1 248.326 2.109 20 0 BEADMN COc1c(F)ccc(O[C@@H]2CCN(C)C2)c1F ZINC001227889689 963620770 /nfs/dbraw/zinc/62/07/70/963620770.db2.gz MDIGRKDEZSZXDY-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN CCC1(Nc2cc(OC(C)C)ccn2)COC1 ZINC001157536562 963649859 /nfs/dbraw/zinc/64/98/59/963649859.db2.gz QSJKSYOFWYLWPN-UHFFFAOYSA-N 0 1 236.315 2.460 20 0 BEADMN O=C1CC(CNc2ccc3c(n2)CCCC3)C1 ZINC001157607745 963676329 /nfs/dbraw/zinc/67/63/29/963676329.db2.gz NQXDCZRYPCWMHB-UHFFFAOYSA-N 0 1 230.311 2.351 20 0 BEADMN C[C@H]1C[C@H]1c1nnc(-c2cnc3nc[nH]c3c2)o1 ZINC001256636837 1169829226 /nfs/dbraw/zinc/82/92/26/1169829226.db2.gz ZJWALEVHCBEEMC-POYBYMJQSA-N 0 1 241.254 2.131 20 0 BEADMN CCN1CCC[C@@H](Oc2ncccc2C(C)=O)C1 ZINC001228292788 963732947 /nfs/dbraw/zinc/73/29/47/963732947.db2.gz NVAHQNPHNTWRKL-GFCCVEGCSA-N 0 1 248.326 2.147 20 0 BEADMN FC1(CNc2ccc3nc[nH]c3c2)CCOCC1 ZINC001168129322 963806146 /nfs/dbraw/zinc/80/61/46/963806146.db2.gz FZULOVIBOLUCRS-UHFFFAOYSA-N 0 1 249.289 2.494 20 0 BEADMN C[C@H]1CN(CC=C(Cl)Cl)C[C@H](C)C1O ZINC000697233225 963871539 /nfs/dbraw/zinc/87/15/39/963871539.db2.gz QKEFGSVDHIESBX-YUMQZZPRSA-N 0 1 238.158 2.254 20 0 BEADMN CC(C)c1ccc(N2CC[N@H+]3CC[C@H]3C2)nc1 ZINC001158433438 963874859 /nfs/dbraw/zinc/87/48/59/963874859.db2.gz NTVNGDLGGAUMHG-ZDUSSCGKSA-N 0 1 231.343 2.099 20 0 BEADMN Cc1ccnc(CCNc2ncc(C)cc2N)c1 ZINC001158434196 963875573 /nfs/dbraw/zinc/87/55/73/963875573.db2.gz SCDPNBNDMZEJFD-UHFFFAOYSA-N 0 1 242.326 2.330 20 0 BEADMN FC(F)(F)c1cccc(N=C2CCOC2)n1 ZINC001203380968 963900307 /nfs/dbraw/zinc/90/03/07/963900307.db2.gz WDFLXHVVXKNLIY-UHFFFAOYSA-N 0 1 230.189 2.426 20 0 BEADMN Cc1ccc(N[C@H]2CCCOC2)nc1C ZINC001158713488 963909302 /nfs/dbraw/zinc/90/93/02/963909302.db2.gz JZXXHJYSFQPNPT-NSHDSACASA-N 0 1 206.289 2.289 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)c1ccccn1 ZINC001228990276 963939725 /nfs/dbraw/zinc/93/97/25/963939725.db2.gz OSCILHRISGQFJX-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CCOc1ccnc(N(C)CC(F)F)c1 ZINC001158926801 963956523 /nfs/dbraw/zinc/95/65/23/963956523.db2.gz NXVXZMLTXZKFBY-UHFFFAOYSA-N 0 1 216.231 2.182 20 0 BEADMN Cc1cc(C)nc(N(C)CC(F)F)c1 ZINC001158925754 963960485 /nfs/dbraw/zinc/96/04/85/963960485.db2.gz ZPSLQUNVOWZLDU-UHFFFAOYSA-N 0 1 200.232 2.400 20 0 BEADMN CNC(=O)[C@H](C)Nc1nc(C)cc2ccccc21 ZINC001158988288 963968958 /nfs/dbraw/zinc/96/89/58/963968958.db2.gz BHTKOMGMOXGNOR-JTQLQIEISA-N 0 1 243.310 2.090 20 0 BEADMN COc1ccnc(N2C3CCC2CC3)c1 ZINC001159078060 963991494 /nfs/dbraw/zinc/99/14/94/963991494.db2.gz PVTPTFKOAFOBRA-UHFFFAOYSA-N 0 1 204.273 2.221 20 0 BEADMN CC1CCC([N@H+]2CCc3c(ncn3C)C2)CC1 ZINC001168221488 963995301 /nfs/dbraw/zinc/99/53/01/963995301.db2.gz DIWLZOUDOSWIGK-UHFFFAOYSA-N 0 1 233.359 2.357 20 0 BEADMN CC1CCC(N2CCc3c(ncn3C)C2)CC1 ZINC001168221488 963995308 /nfs/dbraw/zinc/99/53/08/963995308.db2.gz DIWLZOUDOSWIGK-UHFFFAOYSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1ccnc(NCC2CN(C)C2)c1Cl ZINC001159218894 964015748 /nfs/dbraw/zinc/01/57/48/964015748.db2.gz SNMZWIXATWMUBR-UHFFFAOYSA-N 0 1 225.723 2.017 20 0 BEADMN O=C(CCF)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC001159366254 964067154 /nfs/dbraw/zinc/06/71/54/964067154.db2.gz MNCCQFWUPXQAJO-UHFFFAOYSA-N 0 1 249.245 2.080 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302521886 964089939 /nfs/dbraw/zinc/08/99/39/964089939.db2.gz PFQIHSOYDXBBSV-MDZLAQPJSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302521889 964091858 /nfs/dbraw/zinc/09/18/58/964091858.db2.gz PFQIHSOYDXBBSV-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN COc1ccc2c(c1)C[C@H](N1CC[C@H](F)C1)C2 ZINC001168263203 964099942 /nfs/dbraw/zinc/09/99/42/964099942.db2.gz NBNXBLNXOYKRDP-QWHCGFSZSA-N 0 1 235.302 2.206 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(N)c1 ZINC001159465388 964100281 /nfs/dbraw/zinc/10/02/81/964100281.db2.gz UOUYCLKTNKCSLQ-UHFFFAOYSA-N 0 1 214.272 2.298 20 0 BEADMN CCC=CNc1ncnc2cccnc21 ZINC001159662094 964138650 /nfs/dbraw/zinc/13/86/50/964138650.db2.gz GLADHQXPRVBZOU-ZZXKWVIFSA-N 0 1 200.245 2.360 20 0 BEADMN CCCC=Nc1ncnc2c1ncn2C1CC1 ZINC001159669192 964141829 /nfs/dbraw/zinc/14/18/29/964141829.db2.gz OJCDXHZTSYMLJU-ZZXKWVIFSA-N 0 1 229.287 2.497 20 0 BEADMN CCCC=Nc1ncnc2c1ncn2CC ZINC001159668774 964142598 /nfs/dbraw/zinc/14/25/98/964142598.db2.gz FUPOYYQSCNPQPN-AATRIKPKSA-N 0 1 217.276 2.182 20 0 BEADMN CC(C)[C@H]1CN([C@@H](C)Cc2ccncc2)CCO1 ZINC001256750504 1169836953 /nfs/dbraw/zinc/83/69/53/1169836953.db2.gz UJZXRAIPXMDLTQ-DZGCQCFKSA-N 0 1 248.370 2.369 20 0 BEADMN Cc1ccc([C@@H](O)CN2CC[C@@H](F)C2)cc1 ZINC000689813246 964248392 /nfs/dbraw/zinc/24/83/92/964248392.db2.gz CYTCZIGHUCUVOS-OLZOCXBDSA-N 0 1 223.291 2.072 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CC(C(F)F)C1 ZINC001256748989 1169836378 /nfs/dbraw/zinc/83/63/78/1169836378.db2.gz AFHUCDNWLVQBIE-VIFPVBQESA-N 0 1 226.270 2.210 20 0 BEADMN Cc1ccc(NCCc2cnc(N)s2)nc1C ZINC001160378855 964294834 /nfs/dbraw/zinc/29/48/34/964294834.db2.gz PEBUCYLOPSIWIK-UHFFFAOYSA-N 0 1 248.355 2.392 20 0 BEADMN c1nc2c(cccc2Nc2ccncc2)[nH]1 ZINC001213026191 964410952 /nfs/dbraw/zinc/41/09/52/964410952.db2.gz MSDLQPMFDVSENH-UHFFFAOYSA-N 0 1 210.240 2.123 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc2[nH]cnc21 ZINC001213027408 964441581 /nfs/dbraw/zinc/44/15/81/964441581.db2.gz YHGFNQFWMWDZCD-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CCC1(CNc2cnc(N(C)C)cc2C)COC1 ZINC001168327155 964455866 /nfs/dbraw/zinc/45/58/66/964455866.db2.gz KKVNVVRLCQUEMI-UHFFFAOYSA-N 0 1 249.358 2.295 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C2(CC2)C1 ZINC001160964119 964460283 /nfs/dbraw/zinc/46/02/83/964460283.db2.gz ONHCGEFGUPPGBI-AAEUAGOBSA-N 0 1 244.338 2.087 20 0 BEADMN Cc1ccnc(NC[C@H]2C[C@@](C)(O)C2)c1C ZINC001168339532 964475937 /nfs/dbraw/zinc/47/59/37/964475937.db2.gz WDLWUXYABHBUQJ-BJHJDKERSA-N 0 1 220.316 2.271 20 0 BEADMN CSc1cc(N)n(-c2cccc3nc[nH]c32)n1 ZINC001213029003 964507319 /nfs/dbraw/zinc/50/73/19/964507319.db2.gz DAIOJVGXMVZMOP-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccncc1 ZINC001256752236 1169843117 /nfs/dbraw/zinc/84/31/17/1169843117.db2.gz IPLNMNLMUJCFIS-FZMZJTMJSA-N 0 1 232.327 2.066 20 0 BEADMN CCC1CCC(N2CCO[C@@H]3C[C@@H]32)CC1 ZINC001256876006 1169843211 /nfs/dbraw/zinc/84/32/11/1169843211.db2.gz IHVXFDYUGCHZQO-IFWUJCSASA-N 0 1 209.333 2.428 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697813201 964540499 /nfs/dbraw/zinc/54/04/99/964540499.db2.gz YSUGCUBXWVVXPD-YVECIDJPSA-N 0 1 237.343 2.362 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccncc1 ZINC001256752237 1169844402 /nfs/dbraw/zinc/84/44/02/1169844402.db2.gz IPLNMNLMUJCFIS-RISCZKNCSA-N 0 1 232.327 2.066 20 0 BEADMN CCC(CC)(C(=O)N1CCNC1)c1ccccc1 ZINC001161418674 964594887 /nfs/dbraw/zinc/59/48/87/964594887.db2.gz KNAYGISKBPZEGA-UHFFFAOYSA-N 0 1 246.354 2.134 20 0 BEADMN CCCCCc1ccc(C(=O)N2CCNC2)cc1 ZINC001161419079 964600834 /nfs/dbraw/zinc/60/08/34/964600834.db2.gz WZDOAMHAWMPYHV-UHFFFAOYSA-N 0 1 246.354 2.422 20 0 BEADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N1CCNC1 ZINC001161419129 964604111 /nfs/dbraw/zinc/60/41/11/964604111.db2.gz ZETUCMXNAAZVDP-FRRDWIJNSA-N 0 1 238.375 2.084 20 0 BEADMN Cc1cnc(NC2CSC2)c2[nH]ccc21 ZINC001168361793 964622073 /nfs/dbraw/zinc/62/20/73/964622073.db2.gz AOTPGHQFKNLLPX-UHFFFAOYSA-N 0 1 219.313 2.399 20 0 BEADMN Cc1ccccc1CNc1cnc2n[nH]nc2c1 ZINC001161620954 964647731 /nfs/dbraw/zinc/64/77/31/964647731.db2.gz OKYVCMOMPFNOMG-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1ccccc1CNc1nccc2nn[nH]c21 ZINC001161615199 964647778 /nfs/dbraw/zinc/64/77/78/964647778.db2.gz AUHXPVQMQRVCDN-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN c1nnc(CCNc2ccc3c(n2)CCC3)s1 ZINC001161729773 964719807 /nfs/dbraw/zinc/71/98/07/964719807.db2.gz VTYNLGUYGKXJDV-UHFFFAOYSA-N 0 1 246.339 2.076 20 0 BEADMN Cc1nc2ccc(NCCOC(C)C)nc2[nH]1 ZINC001161795137 964761972 /nfs/dbraw/zinc/76/19/72/964761972.db2.gz WCSKJRNZNRDZSG-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN CCOc1ccnc(NCc2nccnc2C)c1 ZINC001162000530 964842782 /nfs/dbraw/zinc/84/27/82/964842782.db2.gz KGQQOTBYVYNHFX-UHFFFAOYSA-N 0 1 244.298 2.191 20 0 BEADMN Cc1ncc(CNc2cc(N)c(F)cn2)s1 ZINC001162156392 964858611 /nfs/dbraw/zinc/85/86/11/964858611.db2.gz LYAOCOJXRUKKSJ-UHFFFAOYSA-N 0 1 238.291 2.180 20 0 BEADMN COc1cc(C)cc(NC2CN(C(C)(C)C)C2)n1 ZINC001162220804 964880678 /nfs/dbraw/zinc/88/06/78/964880678.db2.gz ATJNDVXBMRYHOC-UHFFFAOYSA-N 0 1 249.358 2.293 20 0 BEADMN Cc1cc(NC2CN(C(C)(C)C)C2)ncc1F ZINC001162221045 964880748 /nfs/dbraw/zinc/88/07/48/964880748.db2.gz FVPBMRLIPJSPSG-UHFFFAOYSA-N 0 1 237.322 2.424 20 0 BEADMN Cc1c(F)ccnc1NC1CN(C(C)(C)C)C1 ZINC001162221355 964880926 /nfs/dbraw/zinc/88/09/26/964880926.db2.gz KNIQZEVQFCZLGA-UHFFFAOYSA-N 0 1 237.322 2.424 20 0 BEADMN CC(C)c1ccnc(NC2CN(C(C)(C)C)C2)n1 ZINC001162226657 964883260 /nfs/dbraw/zinc/88/32/60/964883260.db2.gz VAKBCGIICDJPDJ-UHFFFAOYSA-N 0 1 248.374 2.495 20 0 BEADMN Cc1ccc(C)c(NC[C@@H](O)c2ccco2)n1 ZINC001162252530 964891125 /nfs/dbraw/zinc/89/11/25/964891125.db2.gz RNDPFAPZMACCJW-LLVKDONJSA-N 0 1 232.283 2.437 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1cnc(CN)nc1 ZINC001162527970 965026259 /nfs/dbraw/zinc/02/62/59/965026259.db2.gz ZTYGEMJGGBPTKJ-QWRGUYRKSA-N 0 1 234.347 2.174 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C=CCC2)c2nccn21 ZINC000698194277 965094173 /nfs/dbraw/zinc/09/41/73/965094173.db2.gz FCJASFZOQCNKGJ-MXWKQRLJSA-N 0 1 203.289 2.197 20 0 BEADMN Cc1nc2c(NC(=N)C(C)(C)C)cccn2n1 ZINC001162661352 965096699 /nfs/dbraw/zinc/09/66/99/965096699.db2.gz VHXCTGILDHQDOR-UHFFFAOYSA-N 0 1 231.303 2.473 20 0 BEADMN CC(C)(C)C(=N)Nc1c[nH]cc2ncnc1-2 ZINC001162664951 965102731 /nfs/dbraw/zinc/10/27/31/965102731.db2.gz YJLCZIDPSXBRMU-UHFFFAOYSA-N 0 1 217.276 2.393 20 0 BEADMN O=C1OCC=C1N=c1[nH]c2[nH]ccc2cc1Cl ZINC001162703210 965126721 /nfs/dbraw/zinc/12/67/21/965126721.db2.gz JMGNUVXJFIIKKZ-UHFFFAOYSA-N 0 1 249.657 2.021 20 0 BEADMN Cc1nc2cncc(NCc3cccn3C)c2[nH]1 ZINC001162711931 965134202 /nfs/dbraw/zinc/13/42/02/965134202.db2.gz YDRJBRJUUWOFMP-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1cnccc1CNc1cc(N)c(F)cn1 ZINC001162716024 965140925 /nfs/dbraw/zinc/14/09/25/965140925.db2.gz UBTVQGMRJGLWDL-UHFFFAOYSA-N 0 1 232.262 2.118 20 0 BEADMN CCSCC[C@@H](C)NCc1nnc(C)s1 ZINC000698297125 965187807 /nfs/dbraw/zinc/18/78/07/965187807.db2.gz HVNXYIVEPZYUKC-MRVPVSSYSA-N 0 1 245.417 2.468 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccccc1F ZINC001162895595 965202178 /nfs/dbraw/zinc/20/21/78/965202178.db2.gz PDMGWIYUIOIHIG-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1cnc(N[C@@H]2CNCc3ccsc32)nc1 ZINC001163230004 965313007 /nfs/dbraw/zinc/31/30/07/965313007.db2.gz STPDEGIPLQXHGO-SNVBAGLBSA-N 0 1 246.339 2.103 20 0 BEADMN c1cn(C2CCN(Cc3cnsc3)CC2)cn1 ZINC001232230639 965317364 /nfs/dbraw/zinc/31/73/64/965317364.db2.gz QTSYNYDDMZNKBW-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN CCCONC(=O)C(C)(C)c1cccc(O)c1 ZINC001163242180 965317590 /nfs/dbraw/zinc/31/75/90/965317590.db2.gz OOVMVRFNMXCGAH-UHFFFAOYSA-N 0 1 237.299 2.128 20 0 BEADMN Cc1ncc(CN(C)CC(=O)c2ccccc2)[nH]1 ZINC001232464745 965358183 /nfs/dbraw/zinc/35/81/83/965358183.db2.gz KLTJZXLPSPMVJV-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1(C)CC1 ZINC001120806538 965420461 /nfs/dbraw/zinc/42/04/61/965420461.db2.gz YAAWORVSVTXJIN-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CN(C1COC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168437684 965557968 /nfs/dbraw/zinc/55/79/68/965557968.db2.gz JDWJNIDZLXLBHU-ZDUSSCGKSA-N 0 1 235.302 2.014 20 0 BEADMN Cc1cnc(N(C)C2CC(F)(F)C2)c(N)c1 ZINC001163768531 965573646 /nfs/dbraw/zinc/57/36/46/965573646.db2.gz WZDOQKKOPARHGX-UHFFFAOYSA-N 0 1 227.258 2.206 20 0 BEADMN CN(C)Cc1cccc(NC[C@H]2CC(C)(C)O2)n1 ZINC001168452569 965747977 /nfs/dbraw/zinc/74/79/77/965747977.db2.gz IUAIEBCYLHWROC-GFCCVEGCSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1cc(C)nc(N2CCCC(=O)[C@H](F)C2)c1 ZINC001164130592 965751270 /nfs/dbraw/zinc/75/12/70/965751270.db2.gz LQNOSEDTMFMRES-LLVKDONJSA-N 0 1 236.290 2.206 20 0 BEADMN CC(C)Oc1ccnc(N2C[C@@H](F)[C@H](F)C2)c1 ZINC001164211091 965795759 /nfs/dbraw/zinc/79/57/59/965795759.db2.gz QAEUTVBKMUBKHC-GHMZBOCLSA-N 0 1 242.269 2.365 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@@H](O)[C@H](C)C2)c1 ZINC001164216518 965799669 /nfs/dbraw/zinc/79/96/69/965799669.db2.gz JCPPAKNXTYOFIJ-DGCLKSJQSA-N 0 1 234.343 2.296 20 0 BEADMN Cc1ccc(N2CCC[C@H](O)[C@@H](C)C2)nc1C ZINC001164219625 965803822 /nfs/dbraw/zinc/80/38/22/965803822.db2.gz VPVHAANYNKHIOC-AAEUAGOBSA-N 0 1 234.343 2.296 20 0 BEADMN Cc1cc(N(C)C)ncc1NCCn1cccc1 ZINC001164452359 965887523 /nfs/dbraw/zinc/88/75/23/965887523.db2.gz IIIUBKWITAEHSP-UHFFFAOYSA-N 0 1 244.342 2.370 20 0 BEADMN C[C@H](Cc1cccc(F)c1)N1CC(C)(CO)C1 ZINC001168482171 965896406 /nfs/dbraw/zinc/89/64/06/965896406.db2.gz UDVUZHCTPYYBJS-LLVKDONJSA-N 0 1 237.318 2.071 20 0 BEADMN CCN(CC)C(=O)[C@H](C)Nc1nccc(C)c1C ZINC001164605902 965931855 /nfs/dbraw/zinc/93/18/55/965931855.db2.gz JWBYXMLHSZAPKP-LBPRGKRZSA-N 0 1 249.358 2.367 20 0 BEADMN CCc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)o1 ZINC001204391311 965946016 /nfs/dbraw/zinc/94/60/16/965946016.db2.gz QNQXGMKADSNIAT-RISCZKNCSA-N 0 1 235.327 2.453 20 0 BEADMN Cc1nc(CCN(C)c2cc(C)c(C)cn2)no1 ZINC001165219168 965983133 /nfs/dbraw/zinc/98/31/33/965983133.db2.gz BNOHLIPIVNZUSZ-UHFFFAOYSA-N 0 1 246.314 2.069 20 0 BEADMN Cc1ccc(N(C)[C@H]2CC[C@H](O)CC2)nc1C ZINC001165225625 965988771 /nfs/dbraw/zinc/98/87/71/965988771.db2.gz IJYIATXSGDGCIG-JOCQHMNTSA-N 0 1 234.343 2.438 20 0 BEADMN Cc1nc2ccc(NC[C@H]3CCCCO3)nc2[nH]1 ZINC001165230651 965997580 /nfs/dbraw/zinc/99/75/80/965997580.db2.gz ZPNOUZBMQOGGHP-SNVBAGLBSA-N 0 1 246.314 2.247 20 0 BEADMN Cc1cc(N(C)C)ncc1NC[C@H]1CCCCO1 ZINC001165230572 965998945 /nfs/dbraw/zinc/99/89/45/965998945.db2.gz XILHOMUSZKMZKK-GFCCVEGCSA-N 0 1 249.358 2.437 20 0 BEADMN C[C@H]1COC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000699761838 966068802 /nfs/dbraw/zinc/06/88/02/966068802.db2.gz RUZVJTVILBRZGQ-WPRPVWTQSA-N 0 1 241.718 2.170 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1cccc(O)c1Cl ZINC000699761838 966068817 /nfs/dbraw/zinc/06/88/17/966068817.db2.gz RUZVJTVILBRZGQ-WPRPVWTQSA-N 0 1 241.718 2.170 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H]1c1ccc(F)cc1 ZINC001165778956 966155759 /nfs/dbraw/zinc/15/57/59/966155759.db2.gz JLJKEGNCZNJFRV-LBPRGKRZSA-N 0 1 245.257 2.136 20 0 BEADMN COCC(C)(C)Nc1cncc2nc(C)[nH]c21 ZINC001166049709 966240774 /nfs/dbraw/zinc/24/07/74/966240774.db2.gz IOQPGSYPYHQPKF-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN CC[C@@H]1OCC[C@H]1c1nc([C@H](N)C(C)C)no1 ZINC000300603783 966260741 /nfs/dbraw/zinc/26/07/41/966260741.db2.gz BMLVGORWROTYMD-KXUCPTDWSA-N 0 1 239.319 2.008 20 0 BEADMN CCOc1ccnc(N2CCCCC23COC3)c1 ZINC001166690966 966369293 /nfs/dbraw/zinc/36/92/93/966369293.db2.gz AFLNDVKTKMPOFU-UHFFFAOYSA-N 0 1 248.326 2.240 20 0 BEADMN c1cc(CCNc2nccc3nn[nH]c32)cs1 ZINC001166770529 966403353 /nfs/dbraw/zinc/40/33/53/966403353.db2.gz BGVYNBRCMOFKSL-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN CC(C)(O)C=CNc1ccc2nccn2c1 ZINC001203210647 966554611 /nfs/dbraw/zinc/55/46/11/966554611.db2.gz DERQSELSZXLKCA-AATRIKPKSA-N 0 1 217.272 2.031 20 0 BEADMN Cc1ccc(CN2CC(N3CCCCC3)C2)o1 ZINC001203297470 966605223 /nfs/dbraw/zinc/60/52/23/966605223.db2.gz FCXBXTZZWCCYLP-UHFFFAOYSA-N 0 1 234.343 2.258 20 0 BEADMN CNc1ccc(Nc2cnc(C)n2C)c(F)n1 ZINC001203355825 966608249 /nfs/dbraw/zinc/60/82/49/966608249.db2.gz OGVQUNLOXYESBS-UHFFFAOYSA-N 0 1 235.266 2.048 20 0 BEADMN Nc1c(F)c(F)c(NC2=CCOC2)c(F)c1F ZINC001203390275 966630458 /nfs/dbraw/zinc/63/04/58/966630458.db2.gz BJKQTUXZLHLJSF-UHFFFAOYSA-N 0 1 248.179 2.151 20 0 BEADMN Cc1ccc(C[C@H](C)N(C)CC2OCCO2)cc1 ZINC000182330463 966633275 /nfs/dbraw/zinc/63/32/75/966633275.db2.gz RQPKNUXWTVIJOH-ZDUSSCGKSA-N 0 1 249.354 2.231 20 0 BEADMN COc1ccccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001203428291 966641084 /nfs/dbraw/zinc/64/10/84/966641084.db2.gz PWNJQPJZQFOYQB-DOMZBBRYSA-N 0 1 247.338 2.306 20 0 BEADMN COc1ccc2c(c1)nccc2-n1cc(N)cn1 ZINC001203519802 966667926 /nfs/dbraw/zinc/66/79/26/966667926.db2.gz LIJIYLNGCXLSGA-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN CCOc1ccccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001203543999 966679646 /nfs/dbraw/zinc/67/96/46/966679646.db2.gz NPFWYILGPMJWQC-DZGCQCFKSA-N 0 1 247.338 2.306 20 0 BEADMN CC=C(C)C(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC001298721093 1169896259 /nfs/dbraw/zinc/89/62/59/1169896259.db2.gz OROJPIPRVDZFPI-XBXARRHUSA-N 0 1 246.266 2.357 20 0 BEADMN CC(C)c1nnc(Nc2ccc(N)nc2F)o1 ZINC001203608104 966701907 /nfs/dbraw/zinc/70/19/07/966701907.db2.gz UWARJHQTPIGMII-UHFFFAOYSA-N 0 1 237.238 2.053 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2cncnc2c1 ZINC001203703320 966745086 /nfs/dbraw/zinc/74/50/86/966745086.db2.gz PAYKSEHFWKLXRF-UHFFFAOYSA-N 0 1 239.282 2.415 20 0 BEADMN COc1ccc(CN2CC(C)(CO)C2)c(C)c1C ZINC001203715166 966745908 /nfs/dbraw/zinc/74/59/08/966745908.db2.gz CRZNGTLJQBCBSJ-UHFFFAOYSA-N 0 1 249.354 2.126 20 0 BEADMN Cc1ccccc1CN1CCc2c(cnn2C)C1 ZINC001203708114 966746475 /nfs/dbraw/zinc/74/64/75/966746475.db2.gz FGRUMLOMATXHTD-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN COC(=O)CC1CN(Cc2cc(C)ccc2C)C1 ZINC001203749618 966762063 /nfs/dbraw/zinc/76/20/63/966762063.db2.gz NBLCTQPIMPIGAF-UHFFFAOYSA-N 0 1 247.338 2.298 20 0 BEADMN CO[C@H]1CN(Cc2cc(C)ccc2C)C[C@@H]1F ZINC001203743151 966767713 /nfs/dbraw/zinc/76/77/13/966767713.db2.gz MWTRUCHBULFDOV-KBPBESRZSA-N 0 1 237.318 2.472 20 0 BEADMN COc1cc(C)c(CN2CC(C)(CO)C2)cc1C ZINC001203756322 966769832 /nfs/dbraw/zinc/76/98/32/966769832.db2.gz UUUJSMQCHCXIJP-UHFFFAOYSA-N 0 1 249.354 2.126 20 0 BEADMN CN1CC2(C1)CN(Cc1cccc(Cl)c1)C2 ZINC001203801370 966787766 /nfs/dbraw/zinc/78/77/66/966787766.db2.gz ALWDODKQHHDYHL-UHFFFAOYSA-N 0 1 236.746 2.087 20 0 BEADMN Cc1cccc(CN2C[C@H]3CC[C@@H]2CO3)c1 ZINC001203894677 966812330 /nfs/dbraw/zinc/81/23/30/966812330.db2.gz VLMFXCLRAQSKMK-ZIAGYGMSSA-N 0 1 217.312 2.358 20 0 BEADMN O=c1[nH]c2cccc(CNC/C=C\Cl)c2o1 ZINC001203962436 966833326 /nfs/dbraw/zinc/83/33/26/966833326.db2.gz YRFOJHLANCINDA-DJWKRKHSSA-N 0 1 238.674 2.376 20 0 BEADMN c1c[nH]c(CN2CCC[C@@H]2Cc2ccccn2)n1 ZINC001203979206 966839136 /nfs/dbraw/zinc/83/91/36/966839136.db2.gz HPJKZKWSBUXRIW-CYBMUJFWSA-N 0 1 242.326 2.012 20 0 BEADMN C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1ncc[nH]1 ZINC000528003130 966841820 /nfs/dbraw/zinc/84/18/20/966841820.db2.gz RRFMBPHBPBIZOJ-YPMHNXCESA-N 0 1 248.374 2.077 20 0 BEADMN FC1(F)CO[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC001204014270 966852480 /nfs/dbraw/zinc/85/24/80/966852480.db2.gz GRRBMEUJVAEAFZ-ZJUUUORDSA-N 0 1 245.294 2.214 20 0 BEADMN CCc1cc(CN2CCC[C@H]3C[C@H]32)on1 ZINC001203229063 966854908 /nfs/dbraw/zinc/85/49/08/966854908.db2.gz TVVMSHCSECLXNF-JOYOIKCWSA-N 0 1 206.289 2.221 20 0 BEADMN Cc1ccsc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001204019417 966856379 /nfs/dbraw/zinc/85/63/79/966856379.db2.gz YGGXGOBHGGITFD-MNOVXSKESA-N 0 1 243.347 2.209 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc(C)c(C)s2)C1 ZINC000706577171 966860970 /nfs/dbraw/zinc/86/09/70/966860970.db2.gz JQXAIGQPTKKXFF-MGCOHNPYSA-N 0 1 226.345 2.027 20 0 BEADMN Cc1cc2nccn2cc1N[C@@H](CO)C(C)(C)C ZINC001168558299 966879922 /nfs/dbraw/zinc/87/99/22/966879922.db2.gz ZWGQHTNGYSSDKT-LBPRGKRZSA-N 0 1 247.342 2.462 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001204150252 966902435 /nfs/dbraw/zinc/90/24/35/966902435.db2.gz CRDOFLWEYKYTTB-RWMBFGLXSA-N 0 1 249.285 2.175 20 0 BEADMN CCNC(=O)[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001204175088 966916406 /nfs/dbraw/zinc/91/64/06/966916406.db2.gz NHIGMDNSVJUNDQ-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN C[C@H]1C[C@@H](CO)N(Cc2c(F)cccc2F)C1 ZINC001204203434 966922427 /nfs/dbraw/zinc/92/24/27/966922427.db2.gz XFWIRKNCCJHKGY-UWVGGRQHSA-N 0 1 241.281 2.168 20 0 BEADMN c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)co1 ZINC001204241257 966937203 /nfs/dbraw/zinc/93/72/03/966937203.db2.gz DFFHHFPDUHUEOI-ZDUSSCGKSA-N 0 1 221.300 2.282 20 0 BEADMN CCOc1ccc(CN2CC=CC2)cc1OC ZINC001204358783 966982036 /nfs/dbraw/zinc/98/20/36/966982036.db2.gz QXEBRRIFSUIPMU-UHFFFAOYSA-N 0 1 233.311 2.466 20 0 BEADMN Cc1csc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)n1 ZINC001204374219 966987358 /nfs/dbraw/zinc/98/73/58/966987358.db2.gz DXQBBXKQCHKGHK-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CCC[C@H](O)[C@H](C)C2)n1 ZINC001204374219 966987363 /nfs/dbraw/zinc/98/73/63/966987363.db2.gz DXQBBXKQCHKGHK-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2CCCOCC2)oc1C ZINC001204532366 967030981 /nfs/dbraw/zinc/03/09/81/967030981.db2.gz WUIALKGRRYUZMT-UHFFFAOYSA-N 0 1 209.289 2.119 20 0 BEADMN Cc1cc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)oc1C ZINC001204536374 967035602 /nfs/dbraw/zinc/03/56/02/967035602.db2.gz GMUDPBHJNOTIHC-NWDGAFQWSA-N 0 1 236.359 2.421 20 0 BEADMN COc1cc(Nc2c(C)ncn2C)ccc1N ZINC001249719527 967038211 /nfs/dbraw/zinc/03/82/11/967038211.db2.gz MNWXWUPAWNFOFD-UHFFFAOYSA-N 0 1 232.287 2.063 20 0 BEADMN CC[N@@H+](C)Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759845 967047750 /nfs/dbraw/zinc/04/77/50/967047750.db2.gz LWFHUGIZIXYZJL-UHFFFAOYSA-N 0 1 229.226 2.115 20 0 BEADMN Cc1nc[nH]c1CN(C)CCOc1ccccc1 ZINC001204588124 967078777 /nfs/dbraw/zinc/07/87/77/967078777.db2.gz BKFHSPGRRBKDPB-UHFFFAOYSA-N 0 1 245.326 2.229 20 0 BEADMN Nc1cncn1-c1cc2cc(F)ccc2[nH]1 ZINC001249850252 967089360 /nfs/dbraw/zinc/08/93/60/967089360.db2.gz BXDAHUCMTOCEJW-UHFFFAOYSA-N 0 1 216.219 2.075 20 0 BEADMN c1coc(-c2ccc(Nc3nnco3)cc2)n1 ZINC001249923874 967168938 /nfs/dbraw/zinc/16/89/38/967168938.db2.gz BZIJTICPKIGAHM-UHFFFAOYSA-N 0 1 228.211 2.468 20 0 BEADMN C/C=C/COC1CCN(CCF)CC1 ZINC001205043026 967279847 /nfs/dbraw/zinc/27/98/47/967279847.db2.gz HPTOPCSAOAAYRE-NSCUHMNNSA-N 0 1 201.285 2.013 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1cc[nH]c(=O)c1 ZINC000921743398 967246596 /nfs/dbraw/zinc/24/65/96/967246596.db2.gz QPHSZLYRIAPQIG-MRVPVSSYSA-N 0 1 247.298 2.243 20 0 BEADMN COCCOCc1cc(F)c(O)c(Cl)c1 ZINC001250005080 967265772 /nfs/dbraw/zinc/26/57/72/967265772.db2.gz CYIFXKLEFMBQHE-UHFFFAOYSA-N 0 1 234.654 2.348 20 0 BEADMN CCN(CC)C(=O)Cc1ccc2c(C)[nH]nc2c1 ZINC001250010805 967269547 /nfs/dbraw/zinc/26/95/47/967269547.db2.gz HXSIOSKNFZERAV-UHFFFAOYSA-N 0 1 245.326 2.282 20 0 BEADMN CCN(CC)C(=O)Cc1ccc2n[nH]c(C)c2c1 ZINC001250011246 967270330 /nfs/dbraw/zinc/27/03/30/967270330.db2.gz XQZPCNPGJBYMHU-UHFFFAOYSA-N 0 1 245.326 2.282 20 0 BEADMN Cn1cc(CN2CCCC[C@@](C)(F)C2)cn1 ZINC001204979505 967275247 /nfs/dbraw/zinc/27/52/47/967275247.db2.gz WCGFSWLWXNFXAK-GFCCVEGCSA-N 0 1 225.311 2.134 20 0 BEADMN Cc1cc(Nc2cncn2C)c(C)cc1CO ZINC001250060025 967324201 /nfs/dbraw/zinc/32/42/01/967324201.db2.gz XWSAFZSZYAXMQG-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN Cn1cnc(Nc2c(F)ccc(Cl)c2F)n1 ZINC001250086992 967353916 /nfs/dbraw/zinc/35/39/16/967353916.db2.gz OVVWZYVGTAGWLS-UHFFFAOYSA-N 0 1 244.632 2.490 20 0 BEADMN Cc1cc(CN2CC[C@@H](F)[C@H](O)C2)ccc1F ZINC001205161555 967404199 /nfs/dbraw/zinc/40/41/99/967404199.db2.gz GDVOUVQUJWYECC-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN CCn1ccc(CN2C3CCC2CC3)n1 ZINC001205177276 967412821 /nfs/dbraw/zinc/41/28/21/967412821.db2.gz AQRUHZTZUYWOBL-UHFFFAOYSA-N 0 1 205.305 2.030 20 0 BEADMN COC(=O)CCCc1c(F)cc(F)c(O)c1F ZINC001250144897 967431200 /nfs/dbraw/zinc/43/12/00/967431200.db2.gz CQFNKLOWZVPSFG-UHFFFAOYSA-N 0 1 248.200 2.305 20 0 BEADMN COC(=O)CCCc1cc(O)c(F)c(F)c1F ZINC001250147241 967436747 /nfs/dbraw/zinc/43/67/47/967436747.db2.gz OPGWPIKMXAUVTG-UHFFFAOYSA-N 0 1 248.200 2.305 20 0 BEADMN C[NH+](C)CCCc1c(F)cc(F)c([O-])c1F ZINC001250160648 967454317 /nfs/dbraw/zinc/45/43/17/967454317.db2.gz BSQDZSNTFZFLRC-UHFFFAOYSA-N 0 1 233.233 2.304 20 0 BEADMN COc1cc(CCN2CCCC2)c(Cl)cn1 ZINC001250167453 967467330 /nfs/dbraw/zinc/46/73/30/967467330.db2.gz BYDPIBQIRVAENV-UHFFFAOYSA-N 0 1 240.734 2.382 20 0 BEADMN CCOc1cc(C)ccc1CN1CC(COC)C1 ZINC001250172143 967472863 /nfs/dbraw/zinc/47/28/63/967472863.db2.gz UZBYIJAXYURKAT-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN COc1cc(-c2cccn3cncc23)ccn1 ZINC001240258385 967474971 /nfs/dbraw/zinc/47/49/71/967474971.db2.gz AYPBWAAKIXYVOA-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CC1(C)OC[C@H](Cc2cccc3nc[nH]c32)O1 ZINC001250186623 967492692 /nfs/dbraw/zinc/49/26/92/967492692.db2.gz RQTFRLKKPADOSJ-JTQLQIEISA-N 0 1 232.283 2.257 20 0 BEADMN C[N@H+]1CCCC[C@H]1CCSCCC(=O)[O-] ZINC000037414911 967511189 /nfs/dbraw/zinc/51/11/89/967511189.db2.gz ONZKYULZKRSPGW-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000095162562 967551243 /nfs/dbraw/zinc/55/12/43/967551243.db2.gz OYUJNDKRMYCZEC-JTQLQIEISA-N 0 1 245.330 2.097 20 0 BEADMN Cc1nc2ccc(CCCCCC(N)=O)cc2[nH]1 ZINC001250272369 967596231 /nfs/dbraw/zinc/59/62/31/967596231.db2.gz MLOVVMSYKHASGJ-UHFFFAOYSA-N 0 1 245.326 2.460 20 0 BEADMN Cc1nc2cnc(N[C@H]3CC=CCC3)nc2[nH]1 ZINC001161754445 967633873 /nfs/dbraw/zinc/63/38/73/967633873.db2.gz MFUNMPYROXWFND-VIFPVBQESA-N 0 1 229.287 2.134 20 0 BEADMN C[C@]1(CN2CCO[C@H](CCF)C2)CCCCO1 ZINC001474667186 1169909275 /nfs/dbraw/zinc/90/92/75/1169909275.db2.gz ITYAKYYKQPROHV-CHWSQXEVSA-N 0 1 245.338 2.006 20 0 BEADMN Cc1cc2[nH]ncc2cc1CCn1ccnc1 ZINC001250319425 967693538 /nfs/dbraw/zinc/69/35/38/967693538.db2.gz RABPHVVPKNECLP-UHFFFAOYSA-N 0 1 226.283 2.311 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)nn1C ZINC001250322757 967701386 /nfs/dbraw/zinc/70/13/86/967701386.db2.gz KJLNUUNUNPJUOJ-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN Cc1ncc(Nc2ccc3cncn3c2)nc1C ZINC001250327254 967713697 /nfs/dbraw/zinc/71/36/97/967713697.db2.gz NDUNRCAYXHWWSJ-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)cc(=O)o1 ZINC001250329694 967716375 /nfs/dbraw/zinc/71/63/75/967716375.db2.gz MJVUFXIKILXZFI-UHFFFAOYSA-N 0 1 241.250 2.340 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001205616987 967731483 /nfs/dbraw/zinc/73/14/83/967731483.db2.gz OPWIIHKIDVSPIU-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN CCCCNc1ccc2c(n1)NCCO2 ZINC001162204983 967736955 /nfs/dbraw/zinc/73/69/55/967736955.db2.gz CXHDNWPBGCCIMH-UHFFFAOYSA-N 0 1 207.277 2.098 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)Cc2ccccc2)n1 ZINC001318206473 1169910732 /nfs/dbraw/zinc/91/07/32/1169910732.db2.gz XAKYJEZNFJWXQS-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CC(C)c1nc(NC(=O)Cc2ccccc2)n[nH]1 ZINC001318206473 1169910741 /nfs/dbraw/zinc/91/07/41/1169910741.db2.gz XAKYJEZNFJWXQS-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CC(F)(F)CNc1cccc2[nH]nnc21 ZINC001162234654 967773326 /nfs/dbraw/zinc/77/33/26/967773326.db2.gz YPAICJWPSCLYIP-UHFFFAOYSA-N 0 1 212.203 2.025 20 0 BEADMN C[C@@H](CC(=O)[O-])Nc1cc(C2CC2)cc[nH+]1 ZINC000257764242 967800715 /nfs/dbraw/zinc/80/07/15/967800715.db2.gz ZZSTWXNHYADISM-QMMMGPOBSA-N 0 1 220.272 2.234 20 0 BEADMN C[C@H](CC(=O)[O-])Nc1cc(C2CC2)cc[nH+]1 ZINC000257764241 967801820 /nfs/dbraw/zinc/80/18/20/967801820.db2.gz ZZSTWXNHYADISM-MRVPVSSYSA-N 0 1 220.272 2.234 20 0 BEADMN Cc1cccnc1CN1CC2(CCC2)C1 ZINC001205769303 967817864 /nfs/dbraw/zinc/81/78/64/967817864.db2.gz CYOXOEMEHXPWKS-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)c1cccc(F)c1O ZINC001128824484 967822662 /nfs/dbraw/zinc/82/26/62/967822662.db2.gz KOQWKDSATBFROA-JTQLQIEISA-N 0 1 237.274 2.450 20 0 BEADMN O=C1CC[C@@H](c2nc3ccc(Cl)cc3[nH]2)N1 ZINC001250431581 967850910 /nfs/dbraw/zinc/85/09/10/967850910.db2.gz MWLPLVOSSKPUKR-QMMMGPOBSA-N 0 1 235.674 2.167 20 0 BEADMN CCOc1c(F)cccc1-n1cnc(C)c1N ZINC001212535145 967850929 /nfs/dbraw/zinc/85/09/29/967850929.db2.gz GNTFEZWCADLPKH-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN CCC1(c2nc3ccc(F)cc3[nH]2)COC1 ZINC001250434405 967853036 /nfs/dbraw/zinc/85/30/36/967853036.db2.gz ITGBUYVGBIFOQQ-UHFFFAOYSA-N 0 1 220.247 2.380 20 0 BEADMN CC(C)c1ccc2nc(C(=O)N(C)C)[nH]c2c1 ZINC001250437202 967857759 /nfs/dbraw/zinc/85/77/59/967857759.db2.gz ZIKBNZLRWSIYLH-UHFFFAOYSA-N 0 1 231.299 2.388 20 0 BEADMN CN(C)C(=O)c1nc2ccc(C(F)F)cc2[nH]1 ZINC001250438816 967859074 /nfs/dbraw/zinc/85/90/74/967859074.db2.gz UOIZBXCUXFPBKK-UHFFFAOYSA-N 0 1 239.225 2.202 20 0 BEADMN Oc1cccc(Nc2ccncc2)c1F ZINC001212545747 967859100 /nfs/dbraw/zinc/85/91/00/967859100.db2.gz NMXWQOFXHYQBRO-UHFFFAOYSA-N 0 1 204.204 2.092 20 0 BEADMN Cc1cnc(NC[C@@H](O)c2ccncc2)cc1C ZINC001162547362 967863320 /nfs/dbraw/zinc/86/33/20/967863320.db2.gz FZPRIECCRKIMCK-CYBMUJFWSA-N 0 1 243.310 2.239 20 0 BEADMN Cn1c(-c2c[nH]nn2)nc2cccc(Cl)c21 ZINC001250441567 967864739 /nfs/dbraw/zinc/86/47/39/967864739.db2.gz UDFZRTDOCLEDMB-UHFFFAOYSA-N 0 1 233.662 2.012 20 0 BEADMN CC(C)c1ccc2nc(-c3cn[nH]n3)[nH]c2c1 ZINC001250441794 967864933 /nfs/dbraw/zinc/86/49/33/967864933.db2.gz XDMRLGSPMZIKJR-UHFFFAOYSA-N 0 1 227.271 2.471 20 0 BEADMN COc1ccc2nc(-c3cncc(C)n3)[nH]c2c1 ZINC001250443501 967868857 /nfs/dbraw/zinc/86/88/57/967868857.db2.gz WRVIJHPPYIJJLG-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2cn(C3CC3)cn2)C[C@@H]1C ZINC001205881484 967870645 /nfs/dbraw/zinc/87/06/45/967870645.db2.gz FAYMBECNLZGEJT-FZMZJTMJSA-N 0 1 249.358 2.075 20 0 BEADMN CO[C@H]1CCN(Cc2cn(C3CC3)cn2)C[C@@H]1C ZINC001205881484 967870646 /nfs/dbraw/zinc/87/06/46/967870646.db2.gz FAYMBECNLZGEJT-FZMZJTMJSA-N 0 1 249.358 2.075 20 0 BEADMN CC(C)(C)N1CC(OC[C@@H]2CCCCO2)C1 ZINC001205918843 967885774 /nfs/dbraw/zinc/88/57/74/967885774.db2.gz YIGKEOWIJZFBAY-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CCCn1cncc1CN(CC)C[C@@H](C)OC ZINC001205923486 967886700 /nfs/dbraw/zinc/88/67/00/967886700.db2.gz BGFFJWXNPJWHJA-GFCCVEGCSA-N 0 1 239.363 2.150 20 0 BEADMN c1cc(C2=CC[C@H](N3CCOCC3)CC2)ccn1 ZINC001250472895 967898063 /nfs/dbraw/zinc/89/80/63/967898063.db2.gz UJHMFRBVXBPECL-HNNXBMFYSA-N 0 1 244.338 2.350 20 0 BEADMN Cc1cnc(-c2ccc(O)cc2F)cc1N ZINC001206037110 967949135 /nfs/dbraw/zinc/94/91/35/967949135.db2.gz CVSZTEGOIKXPMV-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Cc1[nH]cnc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250498453 967982051 /nfs/dbraw/zinc/98/20/51/967982051.db2.gz NDSNJNUYLCFYNK-UHFFFAOYSA-N 0 1 240.266 2.196 20 0 BEADMN Nc1ccnc(-c2ccc(O)cc2F)c1 ZINC001206022368 967983579 /nfs/dbraw/zinc/98/35/79/967983579.db2.gz YPURWEHXOVASID-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN CN(C)c1ccc2nc(-c3c[nH]cn3)[nH]c2c1 ZINC001250499339 967988820 /nfs/dbraw/zinc/98/88/20/967988820.db2.gz CUTBJNBWESAHTA-UHFFFAOYSA-N 0 1 227.271 2.019 20 0 BEADMN Cc1nc[nH]c1-c1nc2cccc(F)c2n1C ZINC001250498936 967990341 /nfs/dbraw/zinc/99/03/41/967990341.db2.gz TWHJXFOZSPWGQU-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Fc1ccc2nc(-c3cnoc3)[nH]c2c1 ZINC001250509270 968007871 /nfs/dbraw/zinc/00/78/71/968007871.db2.gz ZPSCMUXXFKZASC-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN Cc1occc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000321332432 968013796 /nfs/dbraw/zinc/01/37/96/968013796.db2.gz ZJMHIMSARVGUJJ-CABZTGNLSA-N 0 1 237.299 2.131 20 0 BEADMN O=c1[nH]cccc1-c1nc2ccc(F)cc2[nH]1 ZINC001250521987 968030614 /nfs/dbraw/zinc/03/06/14/968030614.db2.gz KOAQSOKXMNWXRF-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COC(OC)c1nc2cccc(C)c2[nH]1 ZINC001250540777 968046888 /nfs/dbraw/zinc/04/68/88/968046888.db2.gz UYEXAJFVVDMHMP-UHFFFAOYSA-N 0 1 206.245 2.163 20 0 BEADMN c1c2c(cc3[nH]c([C@H]4CCCOC4)nc13)OCC2 ZINC001250551229 968056488 /nfs/dbraw/zinc/05/64/88/968056488.db2.gz LWPKLKSHIOUSDU-JTQLQIEISA-N 0 1 244.294 2.392 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000380871054 968084957 /nfs/dbraw/zinc/08/49/57/968084957.db2.gz MGYMNVLOPCRLMT-BJDJZHNGSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1[nH]nc2ccc(-c3cncnc3)cc21 ZINC001250598312 968132854 /nfs/dbraw/zinc/13/28/54/968132854.db2.gz ZQBCONRDFMHUGT-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN C[C@@H]1C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250616110 968164912 /nfs/dbraw/zinc/16/49/12/968164912.db2.gz WXFIFHPZKSMDNL-RNFRBKRXSA-N 0 1 243.266 2.017 20 0 BEADMN C[C@H]1C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC001250616109 968165060 /nfs/dbraw/zinc/16/50/60/968165060.db2.gz WXFIFHPZKSMDNL-NKWVEPMBSA-N 0 1 243.266 2.017 20 0 BEADMN Cc1n[nH]cc1-c1nc2ccc(N(C)C)cc2[nH]1 ZINC001250621769 968166486 /nfs/dbraw/zinc/16/64/86/968166486.db2.gz RNAWAGIPWXPAGZ-UHFFFAOYSA-N 0 1 241.298 2.327 20 0 BEADMN Oc1cccnc1-c1nc2ccc(F)cc2[nH]1 ZINC001250693999 968195205 /nfs/dbraw/zinc/19/52/05/968195205.db2.gz QUSQOHCFWWNKTB-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COc1ccc2nc(-c3ncccc3O)[nH]c2c1 ZINC001250695704 968196823 /nfs/dbraw/zinc/19/68/23/968196823.db2.gz NFMDZVGYONVIFO-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cccc([C@H](O)CN2CC3(CCC3)C2)c1 ZINC001250706048 968200005 /nfs/dbraw/zinc/20/00/05/968200005.db2.gz STHVSXBIAOKPTO-CQSZACIVSA-N 0 1 247.338 2.215 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cccnn3)nc21 ZINC001250828496 968206400 /nfs/dbraw/zinc/20/64/00/968206400.db2.gz OVKNVOQKBBEDGT-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c2[nH]c(-c3cccnn3)nc2ccc1F ZINC001250828203 968206575 /nfs/dbraw/zinc/20/65/75/968206575.db2.gz LGDASKPWCXTQBA-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1ccc2nc(-c3cnco3)[nH]c2c1 ZINC001250920478 968213580 /nfs/dbraw/zinc/21/35/80/968213580.db2.gz QKWKAOXBLHYFOB-UHFFFAOYSA-N 0 1 215.212 2.227 20 0 BEADMN COCOc1ccc2nc(-c3cnco3)[nH]c2c1 ZINC001250919943 968214904 /nfs/dbraw/zinc/21/49/04/968214904.db2.gz FNTRMTYGHZOQJC-UHFFFAOYSA-N 0 1 245.238 2.201 20 0 BEADMN CN(C)c1ccc2nc(-c3cnco3)[nH]c2c1 ZINC001250919954 968215369 /nfs/dbraw/zinc/21/53/69/968215369.db2.gz FXBJMUXBJUBVNE-UHFFFAOYSA-N 0 1 228.255 2.284 20 0 BEADMN c1snnc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250923336 968216898 /nfs/dbraw/zinc/21/68/98/968216898.db2.gz CHZCBPQWBFYYJM-UHFFFAOYSA-N 0 1 244.279 2.016 20 0 BEADMN COc1cc2nc(-c3ncco3)[nH]c2cc1F ZINC001250924586 968217519 /nfs/dbraw/zinc/21/75/19/968217519.db2.gz ZKNBSWXPBRUDRX-UHFFFAOYSA-N 0 1 233.202 2.366 20 0 BEADMN COc1cc2nc(-c3cocn3)[nH]c2cc1F ZINC001250932522 968218095 /nfs/dbraw/zinc/21/80/95/968218095.db2.gz KILGPPGUPSYXJP-UHFFFAOYSA-N 0 1 233.202 2.366 20 0 BEADMN CN(C)c1ccc2nc(-c3ncco3)[nH]c2c1 ZINC001250923517 968218796 /nfs/dbraw/zinc/21/87/96/968218796.db2.gz AGLOWOHAPCQIQL-UHFFFAOYSA-N 0 1 228.255 2.284 20 0 BEADMN CN(C)c1ccc2nc(-c3cocn3)[nH]c2c1 ZINC001250932984 968219885 /nfs/dbraw/zinc/21/98/85/968219885.db2.gz UYODTXFYMLOSTM-UHFFFAOYSA-N 0 1 228.255 2.284 20 0 BEADMN Cc1ncn(C)c1Nc1ccccc1N ZINC001206322530 968226130 /nfs/dbraw/zinc/22/61/30/968226130.db2.gz DJQRYLFXFIFXQE-UHFFFAOYSA-N 0 1 202.261 2.054 20 0 BEADMN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1cccnc1 ZINC001250990766 968236173 /nfs/dbraw/zinc/23/61/73/968236173.db2.gz AJUFCXOXPQQXMW-NXEZZACHSA-N 0 1 248.248 2.046 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1ccnn1C ZINC001206365281 968259224 /nfs/dbraw/zinc/25/92/24/968259224.db2.gz NVZVPXJOXPRIOP-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN COc1ccc2nc(-c3c[nH]c(C)n3)[nH]c2c1 ZINC001251114795 968266256 /nfs/dbraw/zinc/26/62/56/968266256.db2.gz QOTLHYDCFYYGQY-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN CC(C)SCC[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000398737181 968277322 /nfs/dbraw/zinc/27/73/22/968277322.db2.gz XPUCZQPEAXFAFK-MNOVXSKESA-N 0 1 245.388 2.171 20 0 BEADMN Cc1ncn(C)c1-c1nc2ccc(F)cc2[nH]1 ZINC001251427188 968285660 /nfs/dbraw/zinc/28/56/60/968285660.db2.gz TTZKGTNYUYYHLI-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H]1CC=CCC1)C1CC1 ZINC000402226432 968306999 /nfs/dbraw/zinc/30/69/99/968306999.db2.gz VTSKSMWWNRYQLO-WDEREUQCSA-N 0 1 223.316 2.280 20 0 BEADMN CC[C@H](C)c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320496085 1169918120 /nfs/dbraw/zinc/91/81/20/1169918120.db2.gz OUJZPIUFMCUZSB-GXSJLCMTSA-N 0 1 235.331 2.392 20 0 BEADMN COc1ccc2c(c1)CN(C[C@@H](C)OC)C2 ZINC001206457593 968321032 /nfs/dbraw/zinc/32/10/32/968321032.db2.gz WIASGNKBHIODMB-SNVBAGLBSA-N 0 1 221.300 2.046 20 0 BEADMN Cc1nnc(CNCCc2ccccc2C)s1 ZINC000698329657 968330392 /nfs/dbraw/zinc/33/03/92/968330392.db2.gz FESJBWSTHQFHMD-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN COc1cnccc1CN1CCC[C@@H](CF)C1 ZINC001206473310 968331159 /nfs/dbraw/zinc/33/11/59/968331159.db2.gz IPCGXOWTHSBJIK-NSHDSACASA-N 0 1 238.306 2.272 20 0 BEADMN Cn1c(=O)cccc1-c1nc2ccc(F)cc2[nH]1 ZINC001251792096 968332452 /nfs/dbraw/zinc/33/24/52/968332452.db2.gz OUVDUESWFSDTSX-UHFFFAOYSA-N 0 1 243.241 2.068 20 0 BEADMN CC[C@@H](O)CNc1cc2n[nH]cc2c(Cl)c1 ZINC001251793329 968332798 /nfs/dbraw/zinc/33/27/98/968332798.db2.gz IAZPWCLBZKEGTL-MRVPVSSYSA-N 0 1 239.706 2.399 20 0 BEADMN Cc1ncn(-c2cccnc2OC(C)(C)C)c1N ZINC001206495002 968338181 /nfs/dbraw/zinc/33/81/81/968338181.db2.gz SCBWPHQCGYBECY-UHFFFAOYSA-N 0 1 246.314 2.335 20 0 BEADMN COCn1ncc(C)c1CN1C[C@H]2CCCC[C@H]21 ZINC001206559513 968382541 /nfs/dbraw/zinc/38/25/41/968382541.db2.gz DZORNSGGSKAFBD-CHWSQXEVSA-N 0 1 249.358 2.170 20 0 BEADMN CN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000060091409 968386002 /nfs/dbraw/zinc/38/60/02/968386002.db2.gz RRXPQXIKQLJGSW-UHFFFAOYSA-N 0 1 201.273 2.138 20 0 BEADMN c1cc(CCNc2cnc3n[nH]nc3c2)cs1 ZINC001166804302 968392627 /nfs/dbraw/zinc/39/26/27/968392627.db2.gz ZRQHUVXRXZAJEK-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN C[C@H](O)CNc1cc(Cl)cc2[nH]ncc21 ZINC001251967027 968407716 /nfs/dbraw/zinc/40/77/16/968407716.db2.gz VPHGFRMYYSWVBG-LURJTMIESA-N 0 1 225.679 2.009 20 0 BEADMN Cc1ccc(Cl)c(CNC[C@H](C)O)c1F ZINC001251969032 968411729 /nfs/dbraw/zinc/41/17/29/968411729.db2.gz QMRYJOZDSKQTDN-QMMMGPOBSA-N 0 1 231.698 2.258 20 0 BEADMN C[C@H]1CN(C[C@H](O)c2ccccc2)CCCC1=O ZINC001251984067 968422789 /nfs/dbraw/zinc/42/27/89/968422789.db2.gz YHZHAYMWFGQSCQ-WFASDCNBSA-N 0 1 247.338 2.021 20 0 BEADMN COc1cccnc1CN1CCC[C@H](CF)C1 ZINC001206644113 968428417 /nfs/dbraw/zinc/42/84/17/968428417.db2.gz JSKDMQIHNAEYRB-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1ccccc1CN1CCC(F)(F)[C@H](N)C1 ZINC001206655170 968429403 /nfs/dbraw/zinc/42/94/03/968429403.db2.gz FXNZZJQLAIPUEW-GFCCVEGCSA-N 0 1 240.297 2.163 20 0 BEADMN C[C@@H](NC[C@@H](O)c1ccccc1)c1ccno1 ZINC001252016206 968438507 /nfs/dbraw/zinc/43/85/07/968438507.db2.gz WLADORYEQKMTCI-ZYHUDNBSSA-N 0 1 232.283 2.059 20 0 BEADMN O=c1[nH]cnc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1Cl ZINC001230015574 968440488 /nfs/dbraw/zinc/44/04/88/968440488.db2.gz YHFVAMUPJIMQOK-RNJXMRFFSA-N 0 1 238.674 2.179 20 0 BEADMN Cc1cnc(-c2cc(F)c(O)cc2F)cn1 ZINC001206748113 968455622 /nfs/dbraw/zinc/45/56/22/968455622.db2.gz DXLWQKPDGIPZSK-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN OCc1cc(Nc2cc(O)cc(F)c2)ccn1 ZINC001206767165 968461674 /nfs/dbraw/zinc/46/16/74/968461674.db2.gz WQOYKXRMUNGKAA-UHFFFAOYSA-N 0 1 234.230 2.162 20 0 BEADMN COc1cc(C)ccc1CN1CC([C@H](C)OC)C1 ZINC001206783235 968467638 /nfs/dbraw/zinc/46/76/38/968467638.db2.gz XWKLQFBCDGVFAK-LBPRGKRZSA-N 0 1 249.354 2.470 20 0 BEADMN O=C1CCC[C@H]2CN(Cc3ccncc3F)C[C@H]12 ZINC001206790881 968474567 /nfs/dbraw/zinc/47/45/67/968474567.db2.gz WYZMUZHXMXMYTJ-JQWIXIFHSA-N 0 1 248.301 2.022 20 0 BEADMN C1[C@@H]2CCCC[C@]12c1nc([C@@H]2CCCN2)no1 ZINC000822067923 968503198 /nfs/dbraw/zinc/50/31/98/968503198.db2.gz LDVTVWKFQCKUMK-KWBADKCTSA-N 0 1 233.315 2.326 20 0 BEADMN CCCO[C@H]1CCN(Cc2cc(C)ccn2)C1 ZINC001206855564 968503246 /nfs/dbraw/zinc/50/32/46/968503246.db2.gz ZJLOCRSYHZALIV-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN C1[C@H]2CCCC[C@@]12c1nc([C@@H]2CCCN2)no1 ZINC000822067919 968503649 /nfs/dbraw/zinc/50/36/49/968503649.db2.gz LDVTVWKFQCKUMK-GBIKHYSHSA-N 0 1 233.315 2.326 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc[nH]c2=O)cn1 ZINC001207010270 968544719 /nfs/dbraw/zinc/54/47/19/968544719.db2.gz MEYZFVHXEOOTDM-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN Fc1cncc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001207024024 968558545 /nfs/dbraw/zinc/55/85/45/968558545.db2.gz ZRCKEQZLONNJQY-ZMLRMANQSA-N 0 1 224.254 2.153 20 0 BEADMN CCCC[C@@H](O)CN1CC(c2cccnc2)C1 ZINC001252094606 968571207 /nfs/dbraw/zinc/57/12/07/968571207.db2.gz QRGYRMJNPFCQOX-CQSZACIVSA-N 0 1 234.343 2.032 20 0 BEADMN CCCC[C@H](O)CN1CC(c2cccnc2)C1 ZINC001252094605 968572215 /nfs/dbraw/zinc/57/22/15/968572215.db2.gz QRGYRMJNPFCQOX-AWEZNQCLSA-N 0 1 234.343 2.032 20 0 BEADMN Fc1ccc(CN2CC3CC(C3)C2)nc1 ZINC001207043543 968575417 /nfs/dbraw/zinc/57/54/17/968575417.db2.gz HARVAOIPKHPTEP-UHFFFAOYSA-N 0 1 206.264 2.063 20 0 BEADMN CN(Cc1ncc2ccccn21)CC1CC1 ZINC001207047886 968580613 /nfs/dbraw/zinc/58/06/13/968580613.db2.gz CTVBMWYTEJLDCO-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCCN(CCOC)Cc1cnc(C)s1 ZINC001207055696 968585953 /nfs/dbraw/zinc/58/59/53/968585953.db2.gz HLKDRCSHDPZPRL-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN c1nc(CN2C[C@H]3CC[C@@H]2C3)n2ccccc12 ZINC001207057835 968585269 /nfs/dbraw/zinc/58/52/69/968585269.db2.gz RPBXEOHLTCLCEM-NWDGAFQWSA-N 0 1 227.311 2.319 20 0 BEADMN c1nc(CN2CCC[C@H]3C[C@H]32)n2ccccc12 ZINC001207055487 968587688 /nfs/dbraw/zinc/58/76/88/968587688.db2.gz YLSRWPDSLDUIPI-WCQYABFASA-N 0 1 227.311 2.319 20 0 BEADMN CCc1nccc(CN2CCC[C@@H](F)CC2)n1 ZINC001207084312 968617809 /nfs/dbraw/zinc/61/78/09/968617809.db2.gz QDKXCNZUJONMCI-LLVKDONJSA-N 0 1 237.322 2.363 20 0 BEADMN CCn1cc(-c2ccc3[nH]cnc3c2)cn1 ZINC001240648890 968618491 /nfs/dbraw/zinc/61/84/91/968618491.db2.gz MEUZMHIVPHPPQG-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN Oc1ccc(F)cc1-c1nccc2[nH]cnc21 ZINC001240694171 968642831 /nfs/dbraw/zinc/64/28/31/968642831.db2.gz PNKBAOQJCATFNS-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CCn1ccnc1CN1CCCC12CC2 ZINC001207140474 968651326 /nfs/dbraw/zinc/65/13/26/968651326.db2.gz TVKBYGRBDNBKAZ-UHFFFAOYSA-N 0 1 205.305 2.031 20 0 BEADMN Cc1noc(C)c1CN1CCC[C@H]2C[C@H]21 ZINC001207139244 968653171 /nfs/dbraw/zinc/65/31/71/968653171.db2.gz RBFPBUVAAPJOTM-CMPLNLGQSA-N 0 1 206.289 2.276 20 0 BEADMN CCN(CCn1ccnc1)Cc1c(C)noc1C ZINC001207139542 968653320 /nfs/dbraw/zinc/65/33/20/968653320.db2.gz VUNLRLLMXWBGHD-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN Cc1cncc(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001207155096 968664286 /nfs/dbraw/zinc/66/42/86/968664286.db2.gz KUMFSTDFSMYQEU-KGLIPLIRSA-N 0 1 232.327 2.001 20 0 BEADMN COc1cccc(CCN2CC[C@@H](F)C2)c1 ZINC001207426765 968764835 /nfs/dbraw/zinc/76/48/35/968764835.db2.gz CRLSNNMSLZPBOD-GFCCVEGCSA-N 0 1 223.291 2.282 20 0 BEADMN COc1cccc(CCN2CCC[C@H]2C(C)=O)c1 ZINC001207434492 968770095 /nfs/dbraw/zinc/77/00/95/968770095.db2.gz LGMFCOBEOQLTOG-HNNXBMFYSA-N 0 1 247.338 2.291 20 0 BEADMN F[C@H]1CN(C[C@@H]2CCCOC2)CCC1(F)F ZINC001207461595 968785374 /nfs/dbraw/zinc/78/53/74/968785374.db2.gz NDFJFENKQCUERY-UWVGGRQHSA-N 0 1 237.265 2.092 20 0 BEADMN CCOc1ccnc(N[C@@H](CO)CC(C)C)c1 ZINC001154960264 968809255 /nfs/dbraw/zinc/80/92/55/968809255.db2.gz USQLUPUZLIGDKY-LLVKDONJSA-N 0 1 238.331 2.299 20 0 BEADMN Cc1cccc(CCN2C[C@H]3CC[C@@H]2CO3)c1 ZINC001207554643 968819896 /nfs/dbraw/zinc/81/98/96/968819896.db2.gz CTUOLEHPHKHNIT-HUUCEWRRSA-N 0 1 231.339 2.401 20 0 BEADMN COc1ccc(CCCN2CCO[C@@H](C)C2)cc1 ZINC001207577116 968823884 /nfs/dbraw/zinc/82/38/84/968823884.db2.gz JKSILYGQJQJFLL-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN COc1ccc(CCCN2CCO[C@H]3C[C@H]32)cc1 ZINC001207586229 968824445 /nfs/dbraw/zinc/82/44/45/968824445.db2.gz XKPSUSKTSSNCBP-CABCVRRESA-N 0 1 247.338 2.101 20 0 BEADMN CCOC1CC(NCc2nc3ccccc3o2)C1 ZINC001207603959 968826041 /nfs/dbraw/zinc/82/60/41/968826041.db2.gz MRDWPBBZYDLNTO-UHFFFAOYSA-N 0 1 246.310 2.485 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cccnc1N ZINC001207594996 968828463 /nfs/dbraw/zinc/82/84/63/968828463.db2.gz OIBDGPWVYVBSEP-WAYWQWQTSA-N 0 1 225.723 2.285 20 0 BEADMN CN(CCCc1cccc(F)c1)C1COC1 ZINC001207605073 968831020 /nfs/dbraw/zinc/83/10/20/968831020.db2.gz JCOYPOJLLMSIGD-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN C[C@@H](CCCC(C)(C)O)CCN1CCOCC1 ZINC001207636235 968852143 /nfs/dbraw/zinc/85/21/43/968852143.db2.gz SPLYTQRAMGPSRJ-ZDUSSCGKSA-N 0 1 243.391 2.286 20 0 BEADMN C[C@@H](CC1CCCC1)N[C@@H](CO)c1ncc[nH]1 ZINC001207665709 968858708 /nfs/dbraw/zinc/85/87/08/968858708.db2.gz PPONEEIVAQORQD-JQWIXIFHSA-N 0 1 237.347 2.002 20 0 BEADMN COC1(C)CN(CC2(c3ccccc3)CC2)C1 ZINC001207831998 968892673 /nfs/dbraw/zinc/89/26/73/968892673.db2.gz VVVYEWQABZPWGM-UHFFFAOYSA-N 0 1 231.339 2.439 20 0 BEADMN CO[C@H]1CN(CC2(c3ccccc3)CC2)C[C@@H]1F ZINC001207829840 968893288 /nfs/dbraw/zinc/89/32/88/968893288.db2.gz AIYOHABWHSQXEE-KBPBESRZSA-N 0 1 249.329 2.387 20 0 BEADMN C[C@@H]1CN(CC2(c3ccccc3)CC2)CCO1 ZINC001207832874 968893655 /nfs/dbraw/zinc/89/36/55/968893655.db2.gz FLBZNAGXJFZHSZ-CYBMUJFWSA-N 0 1 231.339 2.439 20 0 BEADMN CCC[C@H](O)CNc1ccc2c[nH]nc2c1 ZINC001252773409 968940585 /nfs/dbraw/zinc/94/05/85/968940585.db2.gz XPLIKBIRANDGBX-NSHDSACASA-N 0 1 219.288 2.136 20 0 BEADMN CCC[C@@H](O)CNc1ccc2nc(C)cn2c1 ZINC001252775733 968945423 /nfs/dbraw/zinc/94/54/23/968945423.db2.gz PBGLHINIEVBXNT-GFCCVEGCSA-N 0 1 233.315 2.216 20 0 BEADMN Cc1ccc(CCC[N@H+]2CCn3cncc3C2)o1 ZINC001207952055 968948473 /nfs/dbraw/zinc/94/84/73/968948473.db2.gz IGAREJCTVKOPLQ-UHFFFAOYSA-N 0 1 245.326 2.233 20 0 BEADMN Cc1ccc(CCCN2CCn3cncc3C2)o1 ZINC001207952055 968948481 /nfs/dbraw/zinc/94/84/81/968948481.db2.gz IGAREJCTVKOPLQ-UHFFFAOYSA-N 0 1 245.326 2.233 20 0 BEADMN Cc1ccc(CCC[N@H+]2CCOCC23CC3)o1 ZINC001207951594 968950627 /nfs/dbraw/zinc/95/06/27/968950627.db2.gz WPMWYYNDBFQVBX-UHFFFAOYSA-N 0 1 235.327 2.385 20 0 BEADMN Cc1ccc(CCCN2CCOCC23CC3)o1 ZINC001207951594 968950633 /nfs/dbraw/zinc/95/06/33/968950633.db2.gz WPMWYYNDBFQVBX-UHFFFAOYSA-N 0 1 235.327 2.385 20 0 BEADMN CCC[C@@H](O)CNc1cnc2cccc(C)n12 ZINC001252779379 968951562 /nfs/dbraw/zinc/95/15/62/968951562.db2.gz SFKIJGURLJKUFC-LLVKDONJSA-N 0 1 233.315 2.216 20 0 BEADMN F[C@H]1CSC2(CN(C[C@@H]3CCCCO3)C2)C1 ZINC001207958422 968952471 /nfs/dbraw/zinc/95/24/71/968952471.db2.gz CKXBHDWDNHUUQB-MNOVXSKESA-N 0 1 245.363 2.085 20 0 BEADMN Cc1nc2cncc(-c3ccncc3F)c2[nH]1 ZINC001241228369 968959445 /nfs/dbraw/zinc/95/94/45/968959445.db2.gz UYSCWQOCQIVCNN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc2c[nH]cc(-c3ccncc3F)c-2n1 ZINC001241228369 968959457 /nfs/dbraw/zinc/95/94/57/968959457.db2.gz UYSCWQOCQIVCNN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc2c(c1)CN(C[C@@H]1CCCCO1)CC2 ZINC001207961762 968960019 /nfs/dbraw/zinc/96/00/19/968960019.db2.gz AWHSJRCHPHWBSK-AWEZNQCLSA-N 0 1 246.354 2.317 20 0 BEADMN CCc1cc(CC)nc(C2=CCN(C)CC2)n1 ZINC001241317727 968975142 /nfs/dbraw/zinc/97/51/42/968975142.db2.gz UJXHAFJUZLAACF-UHFFFAOYSA-N 0 1 231.343 2.320 20 0 BEADMN CCC[C@@H](O)CNc1cccc2ncn(C)c21 ZINC001252796312 968978329 /nfs/dbraw/zinc/97/83/29/968978329.db2.gz CWSSAJNOEQWGIZ-SNVBAGLBSA-N 0 1 233.315 2.146 20 0 BEADMN COc1ncc(-c2ccc3nn[nH]c3c2)s1 ZINC001241413279 968994537 /nfs/dbraw/zinc/99/45/37/968994537.db2.gz RIBFMWMXXZWLQD-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN Fc1cccnc1-c1cccc2[nH]nnc21 ZINC001241540926 969026658 /nfs/dbraw/zinc/02/66/58/969026658.db2.gz JJFZCEHOOHDHRO-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cccnc1-c1cc2[nH]nnc2cc1F ZINC001241541654 969026723 /nfs/dbraw/zinc/02/67/23/969026723.db2.gz SISYGVYSPFUMTH-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN CCOc1ncc(-c2cccc3nc[nH]c32)cn1 ZINC001241552056 969033065 /nfs/dbraw/zinc/03/30/65/969033065.db2.gz SHBSIMZYKFNWFG-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN C[C@@H]1CC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000706726103 969036400 /nfs/dbraw/zinc/03/64/00/969036400.db2.gz FIBRQUOCIWMNMQ-MRVPVSSYSA-N 0 1 223.247 2.118 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CCC[C@H]1C1CC1 ZINC001252876065 969043767 /nfs/dbraw/zinc/04/37/67/969043767.db2.gz IGDFFCUQPGMBCA-LBPRGKRZSA-N 0 1 245.326 2.302 20 0 BEADMN CN1CCC=C(c2ccc(N)c(F)c2)C1 ZINC001241571192 969065755 /nfs/dbraw/zinc/06/57/55/969065755.db2.gz WIZVUMBWANLGTC-UHFFFAOYSA-N 0 1 206.264 2.127 20 0 BEADMN CSc1ncc(-c2cccc3[nH]nnc32)cn1 ZINC001241630045 969077714 /nfs/dbraw/zinc/07/77/14/969077714.db2.gz RSHHSKWHLICVHV-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN Cc1nc2cccc(-c3cnc(N)nc3C)c2[nH]1 ZINC001241646373 969080860 /nfs/dbraw/zinc/08/08/60/969080860.db2.gz RHALMMGDEHVSSI-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN COC(=O)CN(CCCC1CC1)C(C)C ZINC000406051554 969082735 /nfs/dbraw/zinc/08/27/35/969082735.db2.gz HSWJSDZKSCTRHD-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@](O)(CN1C[C@@H]2C[C@@H]2[C@H](F)C1)c1ccccc1 ZINC001253097240 969084223 /nfs/dbraw/zinc/08/42/23/969084223.db2.gz ABZAWKFDVORPNK-MHEUCROKSA-N 0 1 249.329 2.184 20 0 BEADMN CNc1ccnc(-c2ccc3n[nH]c(C)c3c2)n1 ZINC001241667198 969085313 /nfs/dbraw/zinc/08/53/13/969085313.db2.gz ZAMDZFSQVOVUDU-UHFFFAOYSA-N 0 1 239.282 2.370 20 0 BEADMN Cc1cnc(N(CCO)CC(F)(F)F)cc1C ZINC001155788808 969090656 /nfs/dbraw/zinc/09/06/56/969090656.db2.gz NNRULDJURPHJOE-UHFFFAOYSA-N 0 1 248.248 2.059 20 0 BEADMN C[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccno1 ZINC001253124608 969092280 /nfs/dbraw/zinc/09/22/80/969092280.db2.gz JNRJFLYZJZXRRB-BXUZGUMPSA-N 0 1 246.310 2.233 20 0 BEADMN CC(=O)OC1CN(C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001208174453 969108662 /nfs/dbraw/zinc/10/86/62/969108662.db2.gz KMPYTURTEKEHDD-AAEUAGOBSA-N 0 1 237.343 2.226 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H]1CCC(C)=C[C@H]1C ZINC001208182916 969111361 /nfs/dbraw/zinc/11/13/61/969111361.db2.gz WDKBHNXJROYYMV-FRRDWIJNSA-N 0 1 239.359 2.472 20 0 BEADMN Fc1cccc(CCN2CC[C@@]23CCOC3)c1 ZINC001208201900 969128543 /nfs/dbraw/zinc/12/85/43/969128543.db2.gz OTOOBUSXTNZQMX-AWEZNQCLSA-N 0 1 235.302 2.233 20 0 BEADMN c1nc(-c2ccc3cncn3c2)cs1 ZINC001241890485 969130470 /nfs/dbraw/zinc/13/04/70/969130470.db2.gz CZYUGMICURFLJR-UHFFFAOYSA-N 0 1 201.254 2.458 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ncccc2C)C1 ZINC000166190470 969140614 /nfs/dbraw/zinc/14/06/14/969140614.db2.gz GLVZRFHNFKXCQA-ZDUSSCGKSA-N 0 1 232.327 2.191 20 0 BEADMN CCN1CC[C@H]1CNC(=S)Nc1ccccc1 ZINC000712282879 969152488 /nfs/dbraw/zinc/15/24/88/969152488.db2.gz ICUMIKCJGGTOFM-LBPRGKRZSA-N 0 1 249.383 2.067 20 0 BEADMN Cn1cnc(CNC(C)(C)c2ccccc2)c1 ZINC000383548716 969181954 /nfs/dbraw/zinc/18/19/54/969181954.db2.gz WMJXUIHMQYMDGA-UHFFFAOYSA-N 0 1 229.327 2.445 20 0 BEADMN CCCCC[C@@H](O)CN1CCc2cnccc2C1 ZINC001253516745 969196768 /nfs/dbraw/zinc/19/67/68/969196768.db2.gz BFYUICGIKGNNPQ-OAHLLOKOSA-N 0 1 248.370 2.381 20 0 BEADMN CCCCC[C@@H](O)CN1CCC(=O)[C@H](C)CC1 ZINC001253525191 969201559 /nfs/dbraw/zinc/20/15/59/969201559.db2.gz KPZGVVKGRRIZBX-CHWSQXEVSA-N 0 1 241.375 2.229 20 0 BEADMN Cc1csc(N=C2CCN(C)CC2)n1 ZINC001208720174 969203466 /nfs/dbraw/zinc/20/34/66/969203466.db2.gz YPDBMAFFDSCUKJ-UHFFFAOYSA-N 0 1 209.318 2.083 20 0 BEADMN CCCCC[C@H](O)CN1CC(c2cccnc2)C1 ZINC001253534535 969208499 /nfs/dbraw/zinc/20/84/99/969208499.db2.gz AFQLTUFARBEGQU-HNNXBMFYSA-N 0 1 248.370 2.422 20 0 BEADMN CCCCC[C@H](O)CN1CCOC[C@@H]1CC ZINC001253536658 969212989 /nfs/dbraw/zinc/21/29/89/969212989.db2.gz UAJKMSFHYBMDBH-STQMWFEESA-N 0 1 229.364 2.038 20 0 BEADMN CCCCC[C@H](O)CN1CCCC[C@H]1C(C)=O ZINC001253539738 969213530 /nfs/dbraw/zinc/21/35/30/969213530.db2.gz ZDNJYPIKCNABRL-KBPBESRZSA-N 0 1 241.375 2.371 20 0 BEADMN CCCCC[C@@H](O)CN1CCC(=O)C(C)(C)C1 ZINC001253537453 969214168 /nfs/dbraw/zinc/21/41/68/969214168.db2.gz YHIQVVWBNPHKRF-GFCCVEGCSA-N 0 1 241.375 2.229 20 0 BEADMN CC/C=C\CCN1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001208733074 969220327 /nfs/dbraw/zinc/22/03/27/969220327.db2.gz BXVCPBCCFMWRDH-PWDGOWMUSA-N 0 1 237.343 2.369 20 0 BEADMN CCOc1ccncc1NC1=CC[N@@H+](C)CC1 ZINC001208741557 969230502 /nfs/dbraw/zinc/23/05/02/969230502.db2.gz LGLDXWMWCQSHLD-UHFFFAOYSA-N 0 1 233.315 2.112 20 0 BEADMN C/C(=C\C=C\N)N[C@H](C)c1ccc(C)cn1 ZINC001168854165 969235332 /nfs/dbraw/zinc/23/53/32/969235332.db2.gz MHRPLNPJIBPEBC-BJNOPWTCSA-N 0 1 217.316 2.417 20 0 BEADMN CN1CC=C(Nc2cccc3c2CCC3=O)CC1 ZINC001208843411 969254640 /nfs/dbraw/zinc/25/46/40/969254640.db2.gz BIVFOSSZPHGTGV-UHFFFAOYSA-N 0 1 242.322 2.447 20 0 BEADMN CC(=O)[C@@H]1CN(CC2(C)CCCCC2)CCO1 ZINC001208907581 969295222 /nfs/dbraw/zinc/29/52/22/969295222.db2.gz LCZGPBOTJPSYBM-ZDUSSCGKSA-N 0 1 239.359 2.247 20 0 BEADMN CC1(CN2CCN(C#N)CC2)CCCCC1 ZINC001208908650 969297884 /nfs/dbraw/zinc/29/78/84/969297884.db2.gz XNLOQMFQJOHLSI-UHFFFAOYSA-N 0 1 221.348 2.055 20 0 BEADMN CCC(=O)C(C)(C)C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001208917594 969300926 /nfs/dbraw/zinc/30/09/26/969300926.db2.gz HABCGRVIXFXPDR-LLVKDONJSA-N 0 1 239.359 2.293 20 0 BEADMN CCC(=O)C(C)(C)CN1CCC(=O)[C@H](C)CC1 ZINC001208917594 969300931 /nfs/dbraw/zinc/30/09/31/969300931.db2.gz HABCGRVIXFXPDR-LLVKDONJSA-N 0 1 239.359 2.293 20 0 BEADMN CCC(=O)C(C)(C)CN1CCc2ccncc2C1 ZINC001208920118 969303622 /nfs/dbraw/zinc/30/36/22/969303622.db2.gz IFNVCIBUSYNMJP-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN CCC(=O)C(C)(C)CN(C)Cc1ccno1 ZINC001208922123 969308919 /nfs/dbraw/zinc/30/89/19/969308919.db2.gz WPBRCRSLLKVLIE-UHFFFAOYSA-N 0 1 224.304 2.112 20 0 BEADMN Oc1cc(F)ccc1-c1ncnc2c1COC2 ZINC001242217646 969320341 /nfs/dbraw/zinc/32/03/41/969320341.db2.gz RGSQOZOJKGZUSZ-UHFFFAOYSA-N 0 1 232.214 2.019 20 0 BEADMN COCCCN1Cc2ccc(OC)cc2C1 ZINC001209051951 969338422 /nfs/dbraw/zinc/33/84/22/969338422.db2.gz OLZBRBHJABQKIC-UHFFFAOYSA-N 0 1 221.300 2.047 20 0 BEADMN Cc1nc2ccccn2c1NC[C@H](O)C(C)(C)C ZINC001253717397 969341496 /nfs/dbraw/zinc/34/14/96/969341496.db2.gz KZNJWHHGLJETNX-NSHDSACASA-N 0 1 247.342 2.462 20 0 BEADMN Cc1cn2cc(NC[C@H](O)C(C)(C)C)ccc2n1 ZINC001253716943 969343095 /nfs/dbraw/zinc/34/30/95/969343095.db2.gz CCPSXUUFJAWQTM-LBPRGKRZSA-N 0 1 247.342 2.462 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2[nH]ccc2c1 ZINC001169029612 969349900 /nfs/dbraw/zinc/34/99/00/969349900.db2.gz WYNCZZPTSMHNJQ-UHFFFAOYSA-N 0 1 226.283 2.121 20 0 BEADMN Cn1cnc2cccc(NC[C@H](O)C(C)(C)C)c21 ZINC001253735104 969355540 /nfs/dbraw/zinc/35/55/40/969355540.db2.gz KNYOYPYBRMBWJW-LBPRGKRZSA-N 0 1 247.342 2.392 20 0 BEADMN Cc1nc2ccccn2c1NC[C@@H](O)C(C)C ZINC001253753238 969368776 /nfs/dbraw/zinc/36/87/76/969368776.db2.gz MPPYXTALXRYLFQ-LLVKDONJSA-N 0 1 233.315 2.072 20 0 BEADMN Cc1nc2cc(NC[C@H](O)C(C)C)ccc2[nH]1 ZINC001253768161 969388260 /nfs/dbraw/zinc/38/82/60/969388260.db2.gz CSHJJZACRGJMDH-ZDUSSCGKSA-N 0 1 233.315 2.300 20 0 BEADMN Cc1[nH]nc2cc(NC[C@H](O)C(C)C)ccc12 ZINC001253771704 969392063 /nfs/dbraw/zinc/39/20/63/969392063.db2.gz OEWOKTDRYNJWQW-ZDUSSCGKSA-N 0 1 233.315 2.300 20 0 BEADMN COCCN1CCN(c2c(C)cccc2C)CC1 ZINC001209216028 969403417 /nfs/dbraw/zinc/40/34/17/969403417.db2.gz VUWOWEJXCVIZFX-UHFFFAOYSA-N 0 1 248.370 2.072 20 0 BEADMN OC1CN(CCCCCc2ccccc2)C1 ZINC001209228054 969411830 /nfs/dbraw/zinc/41/18/30/969411830.db2.gz SQIBIVFMGBFXHY-UHFFFAOYSA-N 0 1 219.328 2.076 20 0 BEADMN Cn1ncc2c1CN(CCc1cccs1)CC2 ZINC001209225492 969412034 /nfs/dbraw/zinc/41/20/34/969412034.db2.gz BSUQPECZUBOIFF-UHFFFAOYSA-N 0 1 247.367 2.082 20 0 BEADMN CN(CCCCOCc1ccccc1)C1COC1 ZINC001209258831 969415437 /nfs/dbraw/zinc/41/54/37/969415437.db2.gz KUQSYBQSVCEMBF-UHFFFAOYSA-N 0 1 249.354 2.314 20 0 BEADMN CN(CCF)CCCCNC(=O)OC(C)(C)C ZINC001209367982 969445898 /nfs/dbraw/zinc/44/58/98/969445898.db2.gz CDICSORMPFKILH-UHFFFAOYSA-N 0 1 248.342 2.193 20 0 BEADMN CS[C@@H]1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC001254018664 969449597 /nfs/dbraw/zinc/44/95/97/969449597.db2.gz NOMGHCJHWMITDB-VXGBXAGGSA-N 0 1 239.388 2.136 20 0 BEADMN C[C@H]1CC(CN(C)Cc2ncccn2)C[C@H](C)O1 ZINC001209380347 969451937 /nfs/dbraw/zinc/45/19/37/969451937.db2.gz WLIJCNGXTPPDFW-RYUDHWBXSA-N 0 1 249.358 2.112 20 0 BEADMN Cc1cc(CNc2ccccc2N(C)C)n[nH]1 ZINC001254039897 969453652 /nfs/dbraw/zinc/45/36/52/969453652.db2.gz JFWGWHRJNFDKME-UHFFFAOYSA-N 0 1 230.315 2.396 20 0 BEADMN Cc1cccc2c(CN3CC(C)(CO)C3)c[nH]c21 ZINC001209482884 969523405 /nfs/dbraw/zinc/52/34/05/969523405.db2.gz VFMZDSIZLQCQQH-UHFFFAOYSA-N 0 1 244.338 2.291 20 0 BEADMN C[C@@H]1CN(C2CCC(F)(F)CC2)CCO1 ZINC001254218459 969543420 /nfs/dbraw/zinc/54/34/20/969543420.db2.gz HXMMGXZSYMHYSL-SECBINFHSA-N 0 1 219.275 2.285 20 0 BEADMN O[C@@H]1CCC[C@H](Nc2ccc3nc[nH]c3c2)C1 ZINC001169251628 969544746 /nfs/dbraw/zinc/54/47/46/969544746.db2.gz ZXEAISCZEUXBBO-GXSJLCMTSA-N 0 1 231.299 2.278 20 0 BEADMN FC1(F)CCC(N2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001254225473 969549499 /nfs/dbraw/zinc/54/94/99/969549499.db2.gz WDYONQGMQZTJPC-AOOOYVTPSA-N 0 1 217.259 2.037 20 0 BEADMN CCC[N@@H+](CCOC)Cc1ccc(C)[nH]1 ZINC001209567319 969550501 /nfs/dbraw/zinc/55/05/01/969550501.db2.gz ZXXSDGXDGBZNKH-UHFFFAOYSA-N 0 1 210.321 2.182 20 0 BEADMN Cc1[nH]c2ncccc2c1CN(C)CCF ZINC001209592998 969566151 /nfs/dbraw/zinc/56/61/51/969566151.db2.gz TUFZRADXHCHJLJ-UHFFFAOYSA-N 0 1 221.279 2.273 20 0 BEADMN CC(C)(N[C@@H]1CCCOC1)C(=O)c1ccccc1 ZINC001254362196 969574685 /nfs/dbraw/zinc/57/46/85/969574685.db2.gz GOGVBAKZKVTTTB-CYBMUJFWSA-N 0 1 247.338 2.417 20 0 BEADMN CN(Cc1cccs1)Cc1cnccc1N ZINC001209730649 969584626 /nfs/dbraw/zinc/58/46/26/969584626.db2.gz DYEBLAZQEIJXFI-UHFFFAOYSA-N 0 1 233.340 2.188 20 0 BEADMN Nc1ccncc1CN1CCC[C@H]1C(F)(F)F ZINC001209729652 969586174 /nfs/dbraw/zinc/58/61/74/969586174.db2.gz QHAXQCYYDRPHOD-JTQLQIEISA-N 0 1 245.248 2.021 20 0 BEADMN Fc1ccc2c(c1)CN([C@H]1CCCOC1)C2 ZINC001254382433 969596886 /nfs/dbraw/zinc/59/68/86/969596886.db2.gz KFSPXTBQIRCRCY-ZDUSSCGKSA-N 0 1 221.275 2.320 20 0 BEADMN Nc1ccncc1CN(Cc1ccco1)C1CC1 ZINC001209737345 969599034 /nfs/dbraw/zinc/59/90/34/969599034.db2.gz KPQXFJSVGJOTRJ-UHFFFAOYSA-N 0 1 243.310 2.252 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccccc1N(C)C ZINC001209782726 969616439 /nfs/dbraw/zinc/61/64/39/969616439.db2.gz XMBIVHGPPGZVQW-AWEZNQCLSA-N 0 1 246.354 2.306 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC2(CC2)CC1 ZINC001254436847 969624389 /nfs/dbraw/zinc/62/43/89/969624389.db2.gz UEMQQFBTFYRQLS-UHFFFAOYSA-N 0 1 209.357 2.194 20 0 BEADMN Cc1cc(C)c(-n2cncc2N)cc1C ZINC001209831563 969643976 /nfs/dbraw/zinc/64/39/76/969643976.db2.gz MGORHXIDHYDZRO-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN COc1nn(C)cc1Nc1ccc2nc[nH]c2c1 ZINC001209841207 969646563 /nfs/dbraw/zinc/64/65/63/969646563.db2.gz GOJPYUIRRILNJE-UHFFFAOYSA-N 0 1 243.270 2.049 20 0 BEADMN COc1ccc(C)c(Nc2cncn2C)c1 ZINC001209839786 969649151 /nfs/dbraw/zinc/64/91/51/969649151.db2.gz YIJSXZFBTIGFIT-UHFFFAOYSA-N 0 1 217.272 2.481 20 0 BEADMN O=c1[nH]cccc1Nc1ccc2nc[nH]c2c1 ZINC001209842070 969651380 /nfs/dbraw/zinc/65/13/80/969651380.db2.gz AWIPJNZHBNGXLM-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Oc1cccnc1Nc1ccc2nc[nH]c2c1 ZINC001209842425 969655722 /nfs/dbraw/zinc/65/57/22/969655722.db2.gz JOGVGRIISMTVPJ-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN FCCn1nccc1Nc1ccc2nc[nH]c2c1 ZINC001209848787 969663573 /nfs/dbraw/zinc/66/35/73/969663573.db2.gz RPVNKVYKVDDSJY-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN CC(C)(C)N1CC(OCCCn2cccc2)C1 ZINC001209929962 969693676 /nfs/dbraw/zinc/69/36/76/969693676.db2.gz UXBGLVXRHIXSKE-UHFFFAOYSA-N 0 1 236.359 2.378 20 0 BEADMN CC[C@H](C)[C@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC001169508353 969696455 /nfs/dbraw/zinc/69/64/55/969696455.db2.gz ZDNIMMMQWAAWNM-GVXVVHGQSA-N 0 1 239.359 2.101 20 0 BEADMN Cc1cc(Nc2ccnnc2)c2ccccc2n1 ZINC001209956433 969714810 /nfs/dbraw/zinc/71/48/10/969714810.db2.gz XIGIFPBNAGAVRF-UHFFFAOYSA-N 0 1 236.278 2.499 20 0 BEADMN Cc1noc(Nc2cnc(N)cc2C)c1C ZINC001209961427 969721406 /nfs/dbraw/zinc/72/14/06/969721406.db2.gz IOMQUQWHKMSSLD-UHFFFAOYSA-N 0 1 218.260 2.321 20 0 BEADMN COc1cc(C)c(Nc2cnc(N)cc2C)cn1 ZINC001209964810 969725484 /nfs/dbraw/zinc/72/54/84/969725484.db2.gz FGAKLRMOTPPHCU-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Cc1ccncc1Nc1cnc(N)cc1C ZINC001209961875 969726320 /nfs/dbraw/zinc/72/63/20/969726320.db2.gz OLSRKIDURCROBU-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cc(N)ncc1Nc1ccccc1CO ZINC001209965840 969728139 /nfs/dbraw/zinc/72/81/39/969728139.db2.gz IGWVWSXQZGDLFP-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(O)c1 ZINC001209966002 969730303 /nfs/dbraw/zinc/73/03/03/969730303.db2.gz MYQZXXHWAAPAPX-UHFFFAOYSA-N 0 1 215.256 2.421 20 0 BEADMN COc1cc(Nc2cnc(N)cc2C)ccn1 ZINC001209967231 969736049 /nfs/dbraw/zinc/73/60/49/969736049.db2.gz JGZRFHVXOHZDRK-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN COc1cccnc1Nc1cnc(N)cc1C ZINC001209968083 969736556 /nfs/dbraw/zinc/73/65/56/969736556.db2.gz RKZVEMPMLSQMDK-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN COc1c(O)cccc1Nc1cnc(N)cc1C ZINC001209972652 969741569 /nfs/dbraw/zinc/74/15/69/969741569.db2.gz OTPVJCBYRNLNGD-UHFFFAOYSA-N 0 1 245.282 2.430 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(F)cc1O ZINC001210016185 969760295 /nfs/dbraw/zinc/76/02/95/969760295.db2.gz WQPPQFXKBLTHDK-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN COc1ccc(C(C)=O)cc1Nc1nccn1C ZINC001210075882 969788613 /nfs/dbraw/zinc/78/86/13/969788613.db2.gz BPIGIHGOROIPAD-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN COc1ccc(C(C)=O)cc1Nc1ccncc1 ZINC001210076122 969790295 /nfs/dbraw/zinc/79/02/95/969790295.db2.gz FOQUNZKNRONTJO-UHFFFAOYSA-N 0 1 242.278 2.458 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ccnnc1 ZINC001210100530 969797620 /nfs/dbraw/zinc/79/76/20/969797620.db2.gz QJGDXCGHVIDLAD-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1cn[nH]c(=O)c1 ZINC001210101743 969801468 /nfs/dbraw/zinc/80/14/68/969801468.db2.gz KAZNLDLMPNBIAS-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cn1ccc2c1nccc2N[C@H]1CCCOC1 ZINC001169667458 969804924 /nfs/dbraw/zinc/80/49/24/969804924.db2.gz LHVKDWRRBPHVIE-JTQLQIEISA-N 0 1 231.299 2.164 20 0 BEADMN Cc1ncn(C)c1Nc1cc(F)ccc1CO ZINC001210182725 969819943 /nfs/dbraw/zinc/81/99/43/969819943.db2.gz XMMGPOMHCLWNJV-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN O=C1C[C@@H]2CC(N3Cc4ccncc4C3)C[C@H]2C1 ZINC001254954556 969838218 /nfs/dbraw/zinc/83/82/18/969838218.db2.gz REWMDXJBEZJBRE-RYUDHWBXSA-N 0 1 242.322 2.155 20 0 BEADMN O=C1C[C@H]2C[C@H](N3CCc4occc4C3)C[C@H]2C1 ZINC001254961552 969838975 /nfs/dbraw/zinc/83/89/75/969838975.db2.gz TUYRDRFHIQIMSQ-ITGUQSILSA-N 0 1 245.322 2.395 20 0 BEADMN O=C1C[C@H]2CC(N3CCc4occc4C3)C[C@@H]2C1 ZINC001254961554 969840125 /nfs/dbraw/zinc/84/01/25/969840125.db2.gz TUYRDRFHIQIMSQ-VXGBXAGGSA-N 0 1 245.322 2.395 20 0 BEADMN CC(=O)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254962043 969842600 /nfs/dbraw/zinc/84/26/00/969842600.db2.gz ZWLIUDUMKSYAHN-HUBLWGQQSA-N 0 1 249.354 2.188 20 0 BEADMN CO[C@@H](C)CNc1cc(OC(F)F)ccn1 ZINC001169777927 969843507 /nfs/dbraw/zinc/84/35/07/969843507.db2.gz IWPOBBXSSPZECJ-ZETCQYMHSA-N 0 1 232.230 2.130 20 0 BEADMN CCc1nnc([C@@H]2CCCN2C(C)C)o1 ZINC001255050880 969866989 /nfs/dbraw/zinc/86/69/89/969866989.db2.gz SIXPVZRHFJOZMD-VIFPVBQESA-N 0 1 209.293 2.177 20 0 BEADMN CC(=O)c1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001242401140 969913669 /nfs/dbraw/zinc/91/36/69/969913669.db2.gz QAOZUFQBLSTMJK-UHFFFAOYSA-N 0 1 238.250 2.223 20 0 BEADMN COc1c(F)cccc1-c1cc(N)ccn1 ZINC001242480915 969972513 /nfs/dbraw/zinc/97/25/13/969972513.db2.gz PLEMQVWXYXBWSL-UHFFFAOYSA-N 0 1 218.231 2.479 20 0 BEADMN Cc1[nH]ncc1-c1nnc(C2CCC2)o1 ZINC001255220583 970006337 /nfs/dbraw/zinc/00/63/37/970006337.db2.gz GGWZHIMDOCQSRX-UHFFFAOYSA-N 0 1 204.233 2.036 20 0 BEADMN Cc1ccccc1C1(N[C@H]2CCSC2)COC1 ZINC001255275269 970027164 /nfs/dbraw/zinc/02/71/64/970027164.db2.gz VPQIRLRUHAYZSM-LBPRGKRZSA-N 0 1 249.379 2.316 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CCSC1 ZINC001255295003 970058315 /nfs/dbraw/zinc/05/83/15/970058315.db2.gz QXSXYALPSPNZRE-AXFHLTTASA-N 0 1 245.388 2.011 20 0 BEADMN FCCCNCc1ccn(-c2ccccc2)n1 ZINC000091063069 970067623 /nfs/dbraw/zinc/06/76/23/970067623.db2.gz AFXJGDDEYDQHDP-UHFFFAOYSA-N 0 1 233.290 2.322 20 0 BEADMN CC1(C)CCC(N2CCN(C#N)CC2)CC1 ZINC001255309211 970077778 /nfs/dbraw/zinc/07/77/78/970077778.db2.gz ZGYFHJSIGVLIJJ-UHFFFAOYSA-N 0 1 221.348 2.054 20 0 BEADMN CCCC[C@@H](C)[NH2+]CCCC[P@](=O)([O-])O ZINC001255314290 970083898 /nfs/dbraw/zinc/08/38/98/970083898.db2.gz HDRNFERYEFGTER-SNVBAGLBSA-N 0 1 237.280 2.113 20 0 BEADMN Cc1cocc1C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157123740 970094857 /nfs/dbraw/zinc/09/48/57/970094857.db2.gz AADITFHWGNIDRL-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1ccncn1 ZINC001242918161 970150105 /nfs/dbraw/zinc/15/01/05/970150105.db2.gz HOQJZYFEVZBSBQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCCCN1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001112729541 970159305 /nfs/dbraw/zinc/15/93/05/970159305.db2.gz CPDZOZJTWFSYSA-CYBMUJFWSA-N 0 1 240.391 2.367 20 0 BEADMN Cn1cncc1Nc1ccc(Cl)nc1 ZINC001211246097 970189623 /nfs/dbraw/zinc/18/96/23/970189623.db2.gz ZCKOGIVOUYYFHF-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN CCCCOC1CN(C2CCC(OC)CC2)C1 ZINC001255462195 970192088 /nfs/dbraw/zinc/19/20/88/970192088.db2.gz XQIFHPIUEHVZQD-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN Cn1cncc1Nc1c(Cl)cnnc1Cl ZINC001211247293 970193541 /nfs/dbraw/zinc/19/35/41/970193541.db2.gz SROQCLGTWWRPHH-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN CC(C)CCC[C@@H](C)N1CCNC(=O)[C@H]1C ZINC001170082926 970193652 /nfs/dbraw/zinc/19/36/52/970193652.db2.gz NGLTWLKJRLFAMH-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN Cn1cncc1Nc1ccc(C(F)F)nc1 ZINC001211247157 970194239 /nfs/dbraw/zinc/19/42/39/970194239.db2.gz LEQAFJPBDBEAGI-UHFFFAOYSA-N 0 1 224.214 2.496 20 0 BEADMN COc1nc(Cl)ccc1Nc1cncn1C ZINC001211247410 970194677 /nfs/dbraw/zinc/19/46/77/970194677.db2.gz ZFLIKAMXVTWLQY-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN Cn1cncc1Nc1cc(-c2ccccn2)no1 ZINC001211246535 970195510 /nfs/dbraw/zinc/19/55/10/970195510.db2.gz CUMHEGCWUZZLLW-UHFFFAOYSA-N 0 1 241.254 2.214 20 0 BEADMN Cc1cnc(Nc2cncn2C)c(F)c1 ZINC001211247011 970195726 /nfs/dbraw/zinc/19/57/26/970195726.db2.gz DKYJRFKGPBSMLU-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cn1cncc1Nc1cccc(-n2ccnc2)c1 ZINC001211248791 970196636 /nfs/dbraw/zinc/19/66/36/970196636.db2.gz FPQXPUJPJRJBKO-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN CC(=O)[C@@H](N[C@H]1CCCN(C)C1)c1ccccc1 ZINC001255469973 970196919 /nfs/dbraw/zinc/19/69/19/970196919.db2.gz HNSXLISGQYMJRN-LSDHHAIUSA-N 0 1 246.354 2.001 20 0 BEADMN COCc1ccc(Nc2cncn2C)cc1F ZINC001211252084 970198412 /nfs/dbraw/zinc/19/84/12/970198412.db2.gz YYWZXGYZPVVLMA-UHFFFAOYSA-N 0 1 235.262 2.449 20 0 BEADMN COc1cnccc1Nc1cnc(C)s1 ZINC001211261000 970199906 /nfs/dbraw/zinc/19/99/06/970199906.db2.gz ZBKIVESGICOBHQ-UHFFFAOYSA-N 0 1 221.285 2.021 20 0 BEADMN Cn1cncc1-n1ccc2c1cc(N)cc2F ZINC001211252008 970200006 /nfs/dbraw/zinc/20/00/06/970200006.db2.gz VGWSFNGYKTZFII-UHFFFAOYSA-N 0 1 230.246 2.085 20 0 BEADMN COc1cnccc1N1CCc2c1cccc2N ZINC001211264623 970211274 /nfs/dbraw/zinc/21/12/74/970211274.db2.gz GQJVWEFICOXKSX-UHFFFAOYSA-N 0 1 241.294 2.367 20 0 BEADMN COc1cnccc1Nc1ncc(C)cc1C ZINC001211260762 970212123 /nfs/dbraw/zinc/21/21/23/970212123.db2.gz UMWPQCLHBYIKTJ-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN COc1cnccc1Nc1cc(N)cc(Cl)c1 ZINC001211265206 970216309 /nfs/dbraw/zinc/21/63/09/970216309.db2.gz QZAHOZZYSSCLDY-UHFFFAOYSA-N 0 1 249.701 2.491 20 0 BEADMN COc1cnccc1Nc1cc(F)c(N)cc1C ZINC001211266174 970219317 /nfs/dbraw/zinc/21/93/17/970219317.db2.gz ZRIFGMKYVXFJNT-UHFFFAOYSA-N 0 1 247.273 2.285 20 0 BEADMN COC(=O)CN(C)[C@@H](C)CCCC(C)C ZINC001170088219 970222702 /nfs/dbraw/zinc/22/27/02/970222702.db2.gz PSHACMOMBCJKFA-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Oc1cc(F)c(-c2cnc(F)nc2F)cc1F ZINC001211351937 970245778 /nfs/dbraw/zinc/24/57/78/970245778.db2.gz GUCRPTHPKYRIFA-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN [NH3+]Cc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001211352202 970246061 /nfs/dbraw/zinc/24/60/61/970246061.db2.gz ITMMVURFMLWEDH-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN Cc1ncn(-c2ccc(-c3ncc[nH]3)cc2)c1N ZINC001213087257 970270293 /nfs/dbraw/zinc/27/02/93/970270293.db2.gz NHZMKAKDNAQCOK-UHFFFAOYSA-N 0 1 239.282 2.153 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)c(OC)c1 ZINC001213117432 970278769 /nfs/dbraw/zinc/27/87/69/970278769.db2.gz ZVLNTRUJZWWGKO-UHFFFAOYSA-N 0 1 247.298 2.170 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000300343854 970284233 /nfs/dbraw/zinc/28/42/33/970284233.db2.gz JNBOLIHWRRENLC-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@@H]2NC(=O)c3ccccc32)C1 ZINC001170110637 970317757 /nfs/dbraw/zinc/31/77/57/970317757.db2.gz ZVVOBTSZPAIGOM-GIPNMCIBSA-N 0 1 230.311 2.207 20 0 BEADMN Clc1cc(-c2nc(-c3ccccn3)no2)n[nH]1 ZINC001213500623 970325372 /nfs/dbraw/zinc/32/53/72/970325372.db2.gz LPTLZJCFXOSVOW-UHFFFAOYSA-N 0 1 247.645 2.175 20 0 BEADMN Cc1ncn(C)c1Nc1cnc(C)cc1C ZINC001213510888 970337429 /nfs/dbraw/zinc/33/74/29/970337429.db2.gz KVKZNOPXDBTTGP-UHFFFAOYSA-N 0 1 216.288 2.484 20 0 BEADMN COC[C@H](C)n1c(-c2ccccc2)cnc1CN ZINC001255566899 970357199 /nfs/dbraw/zinc/35/71/99/970357199.db2.gz PIISJZHKNBZXSG-NSHDSACASA-N 0 1 245.326 2.216 20 0 BEADMN COC[C@H](C)N[C@H](c1ncccc1F)C1CC1 ZINC001255565640 970357269 /nfs/dbraw/zinc/35/72/69/970357269.db2.gz VKVBXVPCQJLWTL-CABZTGNLSA-N 0 1 238.306 2.296 20 0 BEADMN Cc1cc2cc(Nc3nonc3N)ccc2[nH]1 ZINC001213785164 970379827 /nfs/dbraw/zinc/37/98/27/970379827.db2.gz UIVIRRWBCNZJOC-UHFFFAOYSA-N 0 1 229.243 2.185 20 0 BEADMN Cc1ncc(C(F)(F)F)cc1-n1cncc1N ZINC001213826939 970385186 /nfs/dbraw/zinc/38/51/86/970385186.db2.gz UUJMZFDHAPJOCU-UHFFFAOYSA-N 0 1 242.204 2.177 20 0 BEADMN Cc1ncn(-c2cnccc2C2CC2)c1N ZINC001213873046 970395370 /nfs/dbraw/zinc/39/53/70/970395370.db2.gz PGBHYHRRGBJONI-UHFFFAOYSA-N 0 1 214.272 2.035 20 0 BEADMN Cc1oncc1CN[C@@H](C)CC(F)(F)F ZINC001255632575 970406871 /nfs/dbraw/zinc/40/68/71/970406871.db2.gz JGNAWCCEGKPOCC-LURJTMIESA-N 0 1 222.210 2.414 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC=C(c2ccco2)C1 ZINC001608714188 970409990 /nfs/dbraw/zinc/40/99/90/970409990.db2.gz QRXNAZPKDOPIAG-UHFFFAOYSA-N 0 1 235.283 2.234 20 0 BEADMN Cc1ncc2n1CCN([C@@H]1CC[C@@H](C)C1)C2 ZINC001170137603 970410992 /nfs/dbraw/zinc/41/09/92/970410992.db2.gz OHEXOEXIJKDIFA-ZYHUDNBSSA-N 0 1 219.332 2.196 20 0 BEADMN Cc1cc(N)ccc1[N@@H+]1C(=N)C=CC(Cl)=C1N ZINC001214110306 970436538 /nfs/dbraw/zinc/43/65/38/970436538.db2.gz PNERIRLRKMHFGQ-UHFFFAOYSA-N 0 1 248.717 2.083 20 0 BEADMN Cc1cc(N)ccc1-n1c(N)c(Cl)ccc1=N ZINC001214110306 970436552 /nfs/dbraw/zinc/43/65/52/970436552.db2.gz PNERIRLRKMHFGQ-UHFFFAOYSA-N 0 1 248.717 2.083 20 0 BEADMN C[C@H](CC(F)(F)F)N1CCc2cnn(C)c2C1 ZINC001255659679 970436713 /nfs/dbraw/zinc/43/67/13/970436713.db2.gz BQRBYQQZZMWHGJ-MRVPVSSYSA-N 0 1 247.264 2.119 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCc2cnn(C)c2C1 ZINC001255659680 970437063 /nfs/dbraw/zinc/43/70/63/970437063.db2.gz BQRBYQQZZMWHGJ-QMMMGPOBSA-N 0 1 247.264 2.119 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302450114 970440613 /nfs/dbraw/zinc/44/06/13/970440613.db2.gz CHVJVLHIWWHRCZ-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H]1CC[C@H](N2CCN(C(C)(C)C)C(=O)C2)C1 ZINC001170152428 970464385 /nfs/dbraw/zinc/46/43/85/970464385.db2.gz LURVXDUCXAFGHV-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC(=O)CN[C@H](C)CSc1ccc(F)cc1 ZINC001255727672 970468273 /nfs/dbraw/zinc/46/82/73/970468273.db2.gz HTMZJOVDNYSIHS-SECBINFHSA-N 0 1 241.331 2.485 20 0 BEADMN COC1CN([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001255786664 970476518 /nfs/dbraw/zinc/47/65/18/970476518.db2.gz YTQWAGVIXQTAKK-LBPRGKRZSA-N 0 1 219.328 2.257 20 0 BEADMN Cc1nnc(CN[C@@H](C)Cc2ccc(C)cc2)o1 ZINC001255784394 970488417 /nfs/dbraw/zinc/48/84/17/970488417.db2.gz VCSZGXPOMADHQG-NSHDSACASA-N 0 1 245.326 2.407 20 0 BEADMN C[C@@H](Cc1ccccc1F)N1CC2(CC(O)C2)C1 ZINC001255842881 970510631 /nfs/dbraw/zinc/51/06/31/970510631.db2.gz ZRQJLJXDTPFQKC-NSHDSACASA-N 0 1 249.329 2.213 20 0 BEADMN C[C@H](Cc1ccccc1F)N[C@@H]1COC[C@@H]1F ZINC001255837010 970513630 /nfs/dbraw/zinc/51/36/30/970513630.db2.gz BHWNBCVEVBQWPC-JIMOISOXSA-N 0 1 241.281 2.083 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@H](C)Cc1ccc(F)cc1 ZINC001255865782 970529317 /nfs/dbraw/zinc/52/93/17/970529317.db2.gz XULZGAXCBVQVPS-GFCCVEGCSA-N 0 1 237.342 2.242 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)Cc1ccc(F)cc1 ZINC001255865782 970529327 /nfs/dbraw/zinc/52/93/27/970529327.db2.gz XULZGAXCBVQVPS-GFCCVEGCSA-N 0 1 237.342 2.242 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)N1CCOC[C@H]1C ZINC001255868495 970533876 /nfs/dbraw/zinc/53/38/76/970533876.db2.gz NKOCGTXZXYZMGP-VXGBXAGGSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H](Cc1ccc(F)cc1)N(C)C1COC1 ZINC001255875141 970538729 /nfs/dbraw/zinc/53/87/29/970538729.db2.gz HJLYFIOLPMOFCU-SNVBAGLBSA-N 0 1 223.291 2.087 20 0 BEADMN COC(=O)c1ccccc1CN1CCC2(CC2)C1 ZINC000400075713 970550327 /nfs/dbraw/zinc/55/03/27/970550327.db2.gz KHXMPNHYHCNOEL-UHFFFAOYSA-N 0 1 245.322 2.459 20 0 BEADMN Cc1cc(CO)cc(C)c1Nc1cncn1C ZINC001214949577 970577517 /nfs/dbraw/zinc/57/75/17/970577517.db2.gz PLRGSHMNHWTGHY-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN CCON(C(=O)c1[nH]nc2ccccc21)C(C)C ZINC000401226438 970666938 /nfs/dbraw/zinc/66/69/38/970666938.db2.gz KTQVDJYYVIMHEX-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(=O)[O-] ZINC000401441321 970691191 /nfs/dbraw/zinc/69/11/91/970691191.db2.gz LTQXJXASYCNMQY-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@]1(CO)CCCN(Cc2ccccc2F)C1 ZINC000305215013 970707643 /nfs/dbraw/zinc/70/76/43/970707643.db2.gz IBEJDPWMXUMZFF-CQSZACIVSA-N 0 1 237.318 2.420 20 0 BEADMN CC(C)OC(=O)CN1CC(C)(C)C[C@H]1C ZINC001327329027 972548075 /nfs/dbraw/zinc/54/80/75/972548075.db2.gz VTDKPKMRWQZHCG-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1nnc(S[C@H](C)C(=O)c2ccco2)[nH]1 ZINC001327352685 972559452 /nfs/dbraw/zinc/55/94/52/972559452.db2.gz GJPWVVRNANFWKJ-ZCFIWIBFSA-N 0 1 237.284 2.070 20 0 BEADMN Cc1n[nH]c(S[C@H](C)C(=O)c2ccco2)n1 ZINC001327352685 972559457 /nfs/dbraw/zinc/55/94/57/972559457.db2.gz GJPWVVRNANFWKJ-ZCFIWIBFSA-N 0 1 237.284 2.070 20 0 BEADMN Cc1cc(CN(Cc2ccccn2)C2CC2)n[nH]1 ZINC001327440866 972574233 /nfs/dbraw/zinc/57/42/33/972574233.db2.gz YSWWOLHFAPUPGV-UHFFFAOYSA-N 0 1 242.326 2.278 20 0 BEADMN Cc1[nH+]c(N[C@@H]2CC[C@@H]2C)ccc1C(=O)[O-] ZINC000393838171 972649159 /nfs/dbraw/zinc/64/91/59/972649159.db2.gz OGGDAVJIBDXZIN-OIBJUYFYSA-N 0 1 220.272 2.299 20 0 BEADMN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)[nH]n1 ZINC001327573700 972650010 /nfs/dbraw/zinc/65/00/10/972650010.db2.gz TXASZUNWWLZCAS-CYBMUJFWSA-N 0 1 231.343 2.483 20 0 BEADMN FC[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2n1 ZINC001144186983 972674441 /nfs/dbraw/zinc/67/44/41/972674441.db2.gz QAPCKJFIPFBNKK-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2cc[nH]c2n1 ZINC001144186983 972674448 /nfs/dbraw/zinc/67/44/48/972674448.db2.gz QAPCKJFIPFBNKK-GFCCVEGCSA-N 0 1 233.290 2.497 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000394097195 972675361 /nfs/dbraw/zinc/67/53/61/972675361.db2.gz OUYFRYYOWBAQGO-GWCFXTLKSA-N 0 1 246.310 2.154 20 0 BEADMN Clc1ccc([C@@H]2CCN2Cc2nnc[nH]2)cc1 ZINC001327870868 972775355 /nfs/dbraw/zinc/77/53/55/972775355.db2.gz PORQWFBALSSEHV-NSHDSACASA-N 0 1 248.717 2.405 20 0 BEADMN COc1ccc([C@H](C)OCc2cnc[nH]2)cn1 ZINC001223000018 972792319 /nfs/dbraw/zinc/79/23/19/972792319.db2.gz JPEIYCLPFARNFX-VIFPVBQESA-N 0 1 233.271 2.091 20 0 BEADMN C[C@@H](CC(=O)OC(C)(C)C)OCc1cnc[nH]1 ZINC001223000276 972792925 /nfs/dbraw/zinc/79/29/25/972792925.db2.gz MPKFXHXRCPMERC-VIFPVBQESA-N 0 1 240.303 2.047 20 0 BEADMN C/C(=C/C[N@H+](C)C1CC(C)(C)C1)C(=O)[O-] ZINC000395449616 972799237 /nfs/dbraw/zinc/79/92/37/972799237.db2.gz HUOHPDAGCLWUGY-UITAMQMPSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@H](Cc1ccco1)OCc1cnc[nH]1 ZINC001223007987 972801066 /nfs/dbraw/zinc/80/10/66/972801066.db2.gz TZXZBSRGVFHTSK-SECBINFHSA-N 0 1 206.245 2.151 20 0 BEADMN C/C=C/[C@H](OCc1nn[nH]n1)C1CCCCC1 ZINC001223026604 972804329 /nfs/dbraw/zinc/80/43/29/972804329.db2.gz CLIMZYNGKYFZEE-GSQGTZRGSA-N 0 1 236.319 2.241 20 0 BEADMN CC(C)CC(CC(C)C)OCc1nn[nH]n1 ZINC001223030689 972812909 /nfs/dbraw/zinc/81/29/09/972812909.db2.gz ZUAFVEGGXWUTJK-UHFFFAOYSA-N 0 1 226.324 2.177 20 0 BEADMN Cc1ccc([C@@H](C)C(=O)NCc2cnc[nH]2)cc1 ZINC001144443375 972822331 /nfs/dbraw/zinc/82/23/31/972822331.db2.gz ZLOGCVVOJCZZND-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN COc1ncc(CN2CCC(C)(C)C2)cc1F ZINC001144462931 972829643 /nfs/dbraw/zinc/82/96/43/972829643.db2.gz MHVBJQZNSIUTEV-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN COc1ncc(CN(C)CCSC)cc1F ZINC001144473389 972841477 /nfs/dbraw/zinc/84/14/77/972841477.db2.gz UHSJOHLMXDZGLC-UHFFFAOYSA-N 0 1 244.335 2.024 20 0 BEADMN Cc1nnc(SCc2cc(C3CC3)no2)[nH]1 ZINC001328022456 972843831 /nfs/dbraw/zinc/84/38/31/972843831.db2.gz QOLYDZNDGGVCDB-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1n[nH]c(SCc2cc(C3CC3)no2)n1 ZINC001328022456 972843832 /nfs/dbraw/zinc/84/38/32/972843832.db2.gz QOLYDZNDGGVCDB-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN F[C@H]1C[C@@H]2C[C@H]1CN2Cc1ncn2ccccc12 ZINC001144625844 972892040 /nfs/dbraw/zinc/89/20/40/972892040.db2.gz WKVKGLVIELBFRP-SRVKXCTJSA-N 0 1 245.301 2.267 20 0 BEADMN c1nc(CN2CCC3(CC3)C2)c2ccccn12 ZINC001144616075 972894295 /nfs/dbraw/zinc/89/42/95/972894295.db2.gz MPQFHTVXDMXYQR-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001144679882 972937474 /nfs/dbraw/zinc/93/74/74/972937474.db2.gz HEPNOWWKZYJMNX-WCBMZHEXSA-N 0 1 237.324 2.431 20 0 BEADMN Clc1cccc(C2(NCc3nnc[nH]3)CC2)c1 ZINC001328394649 973014240 /nfs/dbraw/zinc/01/42/40/973014240.db2.gz RDZPUKNAIWKCFN-UHFFFAOYSA-N 0 1 248.717 2.237 20 0 BEADMN CCCOc1ccccc1NCc1nnc[nH]1 ZINC001328488637 973092164 /nfs/dbraw/zinc/09/21/64/973092164.db2.gz XWTGXIWXWDHYRO-UHFFFAOYSA-N 0 1 232.287 2.206 20 0 BEADMN CCOC(=O)[C@@H](C)CNc1ccc(C)c(C)n1 ZINC001160889225 973105363 /nfs/dbraw/zinc/10/53/63/973105363.db2.gz FPFFNXUSGHSEFI-JTQLQIEISA-N 0 1 236.315 2.310 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])[C@@H](C)[C@H]1C ZINC000399568301 973228291 /nfs/dbraw/zinc/22/82/91/973228291.db2.gz NWHJAYQUWCNFQQ-UTLUCORTSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2occc2C(=O)[O-])[C@@H](C)[C@H]1C ZINC000399604582 973230173 /nfs/dbraw/zinc/23/01/73/973230173.db2.gz ZVNJIEPHAVONFV-UTLUCORTSA-N 0 1 237.299 2.454 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2CC[C@@H](C3CC3)C2)c1 ZINC000400032287 973246659 /nfs/dbraw/zinc/24/66/59/973246659.db2.gz JDXHFRFXKUMIQK-LLVKDONJSA-N 0 1 232.283 2.016 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001276916734 973248837 /nfs/dbraw/zinc/24/88/37/973248837.db2.gz VNXGYPBKIQFVTQ-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ncc(C(=O)N2CCCC[C@@](C)(F)C2)[nH]1 ZINC001146863137 973279221 /nfs/dbraw/zinc/27/92/21/973279221.db2.gz ILOHPZXCFZZESH-GFCCVEGCSA-N 0 1 239.294 2.072 20 0 BEADMN CC[N@@H+](CC1=CCCC1)C(C)(C)C(=O)[O-] ZINC000401036387 973339541 /nfs/dbraw/zinc/33/95/41/973339541.db2.gz OSPWMQHGTZZGCB-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])CC1=CCCC1 ZINC000401119678 973341441 /nfs/dbraw/zinc/34/14/41/973341441.db2.gz MZUVYIPCUBFJLG-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN C/C(=C\C=C\N)N[C@@H]1COCc2ccccc21 ZINC001171294584 973417622 /nfs/dbraw/zinc/41/76/22/973417622.db2.gz OADSWSDKAWUFSP-WFBZUOAJSA-N 0 1 230.311 2.224 20 0 BEADMN Cc1nc(CN2CC[C@@H]3OCCC[C@@H]3C2)[nH]c1C ZINC001329059838 973457005 /nfs/dbraw/zinc/45/70/05/973457005.db2.gz GFRSRYYMHOJUIM-OLZOCXBDSA-N 0 1 249.358 2.027 20 0 BEADMN CCc1nc(NC(=O)C=C(C)c2ccco2)n[nH]1 ZINC001329169268 973533108 /nfs/dbraw/zinc/53/31/08/973533108.db2.gz UUMVUQMTZMNHJJ-BQYQJAHWSA-N 0 1 246.270 2.002 20 0 BEADMN CCc1n[nH]c(NC(=O)C=C(C)c2ccco2)n1 ZINC001329169268 973533121 /nfs/dbraw/zinc/53/31/21/973533121.db2.gz UUMVUQMTZMNHJJ-BQYQJAHWSA-N 0 1 246.270 2.002 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCC=C(Cl)C2)CC1 ZINC000404552717 973732444 /nfs/dbraw/zinc/73/24/44/973732444.db2.gz QZFCNFKSUGGGGO-UHFFFAOYSA-N 0 1 229.707 2.070 20 0 BEADMN COc1ccccc1CN[C@H](C)c1ccnn1C ZINC000234890910 973776165 /nfs/dbraw/zinc/77/61/65/973776165.db2.gz UPNHJUDMFZCILQ-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN CC(C)(C)N1CC(OC[C@H]2CC(C)(C)O2)C1 ZINC001224635662 973813809 /nfs/dbraw/zinc/81/38/09/973813809.db2.gz MTPDOBCGXNWRIC-SNVBAGLBSA-N 0 1 227.348 2.053 20 0 BEADMN Cc1nnc(S[C@@H](C)C(=O)C(C)(C)C)[nH]1 ZINC001329710311 973894463 /nfs/dbraw/zinc/89/44/63/973894463.db2.gz WUMGQMUEFMTVBC-LURJTMIESA-N 0 1 227.333 2.209 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)C(=O)C(C)(C)C)n1 ZINC001329710311 973894464 /nfs/dbraw/zinc/89/44/64/973894464.db2.gz WUMGQMUEFMTVBC-LURJTMIESA-N 0 1 227.333 2.209 20 0 BEADMN CC(C)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000585384651 973909331 /nfs/dbraw/zinc/90/93/31/973909331.db2.gz AERPYKFZTUTHEV-UHFFFAOYSA-N 0 1 219.332 2.232 20 0 BEADMN CC(C)CN1CCn2nc(C3CC3)cc2C1 ZINC000585384651 973909347 /nfs/dbraw/zinc/90/93/47/973909347.db2.gz AERPYKFZTUTHEV-UHFFFAOYSA-N 0 1 219.332 2.232 20 0 BEADMN OCC1CN(Cc2ccc(F)c3ccccc23)C1 ZINC000236474270 973943163 /nfs/dbraw/zinc/94/31/63/973943163.db2.gz PBEYDDKFDQDVKO-UHFFFAOYSA-N 0 1 245.297 2.403 20 0 BEADMN c1nnc(CN2CCC[C@@]3(CC=CCC3)C2)[nH]1 ZINC001329878301 973998362 /nfs/dbraw/zinc/99/83/62/973998362.db2.gz RJFBWIXGFIBKGR-ZDUSSCGKSA-N 0 1 232.331 2.127 20 0 BEADMN NC1=CN([C@H]2CCc3c(F)cccc3C2)CC=C1 ZINC001171411366 974019171 /nfs/dbraw/zinc/01/91/71/974019171.db2.gz HQUCZSPXZZNRDC-ZDUSSCGKSA-N 0 1 244.313 2.355 20 0 BEADMN CNc1cccc(Nc2nccnc2CN)c1C ZINC001171449338 974069343 /nfs/dbraw/zinc/06/93/43/974069343.db2.gz TVEXUTVHZQRFQB-UHFFFAOYSA-N 0 1 243.314 2.029 20 0 BEADMN Cc1ccc(CC[C@@H](C)N2CC(C)(O)C2)cc1 ZINC001171671973 974127768 /nfs/dbraw/zinc/12/77/68/974127768.db2.gz SMDQMOZSFNNWKD-CYBMUJFWSA-N 0 1 233.355 2.383 20 0 BEADMN CCCC(CCC)C(=O)OCc1nnc[nH]1 ZINC001330187136 974147810 /nfs/dbraw/zinc/14/78/10/974147810.db2.gz MORQYXZJRMFHKN-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN Cc1cnc(CN)n1[C@H]1Cc2cccc(F)c2C1 ZINC001171776881 974164849 /nfs/dbraw/zinc/16/48/49/974164849.db2.gz CRIQGRAZJWYYLO-NSHDSACASA-N 0 1 245.301 2.129 20 0 BEADMN CC(=O)[C@@H]1CCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171812845 974199466 /nfs/dbraw/zinc/19/94/66/974199466.db2.gz XSIXTHYGDWARRM-WFASDCNBSA-N 0 1 247.313 2.346 20 0 BEADMN c1cc(CN2CC[C@@H]3CCCO[C@H]3C2)ccn1 ZINC001204079987 974232941 /nfs/dbraw/zinc/23/29/41/974232941.db2.gz CCOJRBDZLMDGEM-KBPBESRZSA-N 0 1 232.327 2.083 20 0 BEADMN F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)O3)CCC1(F)F ZINC001172221386 974453695 /nfs/dbraw/zinc/45/36/95/974453695.db2.gz KRGKXUQWKUYXRV-GYIHNLGQSA-N 0 1 249.276 2.376 20 0 BEADMN FC1(F)CCC[C@@H]1NC1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234245 974477636 /nfs/dbraw/zinc/47/76/36/974477636.db2.gz GIUDNGXKLWOCGF-GYIHNLGQSA-N 0 1 229.270 2.250 20 0 BEADMN Cc1ccc(C(=O)CN[C@H]2COC(C)(C)C2)cc1 ZINC001172275996 974493995 /nfs/dbraw/zinc/49/39/95/974493995.db2.gz BFYIEQRITJFNTO-CYBMUJFWSA-N 0 1 247.338 2.335 20 0 BEADMN Cc1cc2c(cn1)CN([C@@H]1COC(C)(C)C1)C2 ZINC001172287925 974550057 /nfs/dbraw/zinc/55/00/57/974550057.db2.gz CDKOZBDBSWTKCD-ZDUSSCGKSA-N 0 1 232.327 2.273 20 0 BEADMN Cc1cc2c(cn1)CN([C@H]1COC(C)(C)C1)C2 ZINC001172287922 974550398 /nfs/dbraw/zinc/55/03/98/974550398.db2.gz CDKOZBDBSWTKCD-CYBMUJFWSA-N 0 1 232.327 2.273 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2ccc([S-])cc2)C1 ZINC001225555380 974551169 /nfs/dbraw/zinc/55/11/69/974551169.db2.gz MLZQHAUCARTLAG-NSHDSACASA-N 0 1 223.341 2.448 20 0 BEADMN C[C@H]1CC[C@H](C(=O)NCc2cc(N)ccn2)CC1 ZINC001330985222 974551230 /nfs/dbraw/zinc/55/12/30/974551230.db2.gz QHUOEJSKQYWDST-XYPYZODXSA-N 0 1 247.342 2.106 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@@H]1COC(C)(C)C1 ZINC001172288873 974553613 /nfs/dbraw/zinc/55/36/13/974553613.db2.gz MXAHSVPVHGRKNZ-RYUDHWBXSA-N 0 1 234.343 2.432 20 0 BEADMN CC1(C)C[C@H](N2CCc3cccnc3C2)CO1 ZINC001172293056 974559305 /nfs/dbraw/zinc/55/93/05/974559305.db2.gz PNLGUACOLFOGCU-LBPRGKRZSA-N 0 1 232.327 2.007 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172375655 974575419 /nfs/dbraw/zinc/57/54/19/974575419.db2.gz WKPOUFNWXHQTLA-NOOOWODRSA-N 0 1 227.348 2.304 20 0 BEADMN CON(C(=O)c1ccc(O)c(Cl)c1)C(C)C ZINC001331108610 974603402 /nfs/dbraw/zinc/60/34/02/974603402.db2.gz BHBXQVWUUROBNI-UHFFFAOYSA-N 0 1 243.690 2.458 20 0 BEADMN CCOCC[C@H](C)NC1(c2ccccc2)COC1 ZINC001172412748 974677333 /nfs/dbraw/zinc/67/73/33/974677333.db2.gz WOAVJTSEUUGVQR-ZDUSSCGKSA-N 0 1 249.354 2.317 20 0 BEADMN CCOCC[C@@H](C)NC1(c2ccccc2)COC1 ZINC001172412747 974678919 /nfs/dbraw/zinc/67/89/19/974678919.db2.gz WOAVJTSEUUGVQR-CYBMUJFWSA-N 0 1 249.354 2.317 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H]2C(C)C)[nH]1 ZINC001331332394 974688289 /nfs/dbraw/zinc/68/82/89/974688289.db2.gz BAWRGFWOLUNDGK-LLVKDONJSA-N 0 1 235.331 2.404 20 0 BEADMN O=C1CC2(CC2)CN1CN1CCC(C2CC2)CC1 ZINC001331365290 974695992 /nfs/dbraw/zinc/69/59/92/974695992.db2.gz FWOFQRRQUDWLCT-UHFFFAOYSA-N 0 1 248.370 2.078 20 0 BEADMN CCCC(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001225839001 974702272 /nfs/dbraw/zinc/70/22/72/974702272.db2.gz WPFAYDMBIMGHGG-NSHDSACASA-N 0 1 244.354 2.115 20 0 BEADMN C[C@H](Oc1[nH]c(=O)ncc1F)c1ccccc1 ZINC001225881542 974713965 /nfs/dbraw/zinc/71/39/65/974713965.db2.gz JMKKCGQZFSFKEP-QMMMGPOBSA-N 0 1 234.230 2.461 20 0 BEADMN O=c1ncc(F)c(O[C@@H]2CCc3ccccc32)[nH]1 ZINC001225882444 974715687 /nfs/dbraw/zinc/71/56/87/974715687.db2.gz TULQOMDZDUKCBQ-LLVKDONJSA-N 0 1 246.241 2.388 20 0 BEADMN CCOCC[C@H](C)N1CCC(=O)C(C)(C)C1 ZINC001172434062 974723030 /nfs/dbraw/zinc/72/30/30/974723030.db2.gz UFIMGWGYIMAJFZ-NSHDSACASA-N 0 1 227.348 2.103 20 0 BEADMN CC1(C)CCC(=O)N1CN1CCC[C@H](CF)C1 ZINC001331479407 974737063 /nfs/dbraw/zinc/73/70/63/974737063.db2.gz ZATWNSBBRDVCCF-LLVKDONJSA-N 0 1 242.338 2.026 20 0 BEADMN Cc1ccc(O[C@H]2CCN(C)C2)c(F)c1F ZINC001225943359 974739396 /nfs/dbraw/zinc/73/93/96/974739396.db2.gz WAPHCQWIOFNXIJ-VIFPVBQESA-N 0 1 227.254 2.356 20 0 BEADMN CCC(=O)[C@H](CC)Oc1cccc2[nH]nnc21 ZINC001225990526 974750301 /nfs/dbraw/zinc/75/03/01/974750301.db2.gz BMZZVCCZZVORIL-JTQLQIEISA-N 0 1 233.271 2.094 20 0 BEADMN CCC(=O)[C@@H](CC)Oc1cccc2[nH]nnc21 ZINC001225990527 974752040 /nfs/dbraw/zinc/75/20/40/974752040.db2.gz BMZZVCCZZVORIL-SNVBAGLBSA-N 0 1 233.271 2.094 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H]2CCC[C@@H](C)C2)n1 ZINC001226156234 974810961 /nfs/dbraw/zinc/81/09/61/974810961.db2.gz KYYVJZMVYDIKFC-PSASIEDQSA-N 0 1 222.288 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H]2CCCC[C@H]2C)n1 ZINC001226156773 974810980 /nfs/dbraw/zinc/81/09/80/974810980.db2.gz QUBYBSUYLSQRQE-SCZZXKLOSA-N 0 1 222.288 2.448 20 0 BEADMN CCCC[C@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226156573 974811470 /nfs/dbraw/zinc/81/14/70/974811470.db2.gz PCRWVIXVVPXXFH-VIFPVBQESA-N 0 1 210.277 2.448 20 0 BEADMN CCCC[C@@H](C)Oc1nc(C)cc(=O)[nH]1 ZINC001226156572 974812362 /nfs/dbraw/zinc/81/23/62/974812362.db2.gz PCRWVIXVVPXXFH-SECBINFHSA-N 0 1 210.277 2.448 20 0 BEADMN Cc1cc(=O)[nH]c(OC(C2CC2)C2CC2)n1 ZINC001226157411 974813915 /nfs/dbraw/zinc/81/39/15/974813915.db2.gz YLZGXFAYZVDZCV-UHFFFAOYSA-N 0 1 220.272 2.058 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)Cc2ccco2)n1 ZINC001226157774 974814049 /nfs/dbraw/zinc/81/40/49/974814049.db2.gz FOKNLBJUBUONTG-VIFPVBQESA-N 0 1 234.255 2.094 20 0 BEADMN c1cnc2[nH]nc(OC[C@@H]3CCC=CO3)c2c1 ZINC001226301431 974849332 /nfs/dbraw/zinc/84/93/32/974849332.db2.gz ZTOVFYLLYPPIAU-VIFPVBQESA-N 0 1 231.255 2.029 20 0 BEADMN FC1(F)CC(Oc2n[nH]c3ncccc23)C1 ZINC001226301590 974849661 /nfs/dbraw/zinc/84/96/61/974849661.db2.gz CFGJHVSEDPVANZ-UHFFFAOYSA-N 0 1 225.198 2.134 20 0 BEADMN C[C@@H]1CCC[C@@H](Oc2nccc(=O)[nH]2)C1 ZINC001226325276 974856880 /nfs/dbraw/zinc/85/68/80/974856880.db2.gz YTPWKXAGPANRHU-RKDXNWHRSA-N 0 1 208.261 2.140 20 0 BEADMN Clc1ccc2c(c1)C[C@@H](N1CC3(COC3)C1)C2 ZINC001172720388 974905731 /nfs/dbraw/zinc/90/57/31/974905731.db2.gz YXAILWIXMWTCIQ-ZDUSSCGKSA-N 0 1 249.741 2.139 20 0 BEADMN Cc1ccc2nc(OC3CN(C(C)C)C3)[nH]c2c1 ZINC001226506929 974930032 /nfs/dbraw/zinc/93/00/32/974930032.db2.gz URYRBOXLXFBHRA-UHFFFAOYSA-N 0 1 245.326 2.343 20 0 BEADMN CC(=O)CN(C)[C@H]1CCc2ccc(C)cc2C1 ZINC001172827051 974947994 /nfs/dbraw/zinc/94/79/94/974947994.db2.gz IVOYDBFOGINXOM-HNNXBMFYSA-N 0 1 231.339 2.373 20 0 BEADMN COC1CN([C@H]2CCc3ccc(C)cc3C2)C1 ZINC001172827480 974950079 /nfs/dbraw/zinc/95/00/79/974950079.db2.gz LIRRKUIUYGFPFZ-AWEZNQCLSA-N 0 1 231.339 2.183 20 0 BEADMN Cc1ccc2c(c1)C[C@H](N1CCOCC1)CC2 ZINC001172839404 974955664 /nfs/dbraw/zinc/95/56/64/974955664.db2.gz TXYDLKGJYUODNS-OAHLLOKOSA-N 0 1 231.339 2.185 20 0 BEADMN CO[C@@H]1CCC[C@H](NCc2nc(C)co2)C1 ZINC001172915682 974964411 /nfs/dbraw/zinc/96/44/11/974964411.db2.gz UWIXOLRXQPZIAI-WDEREUQCSA-N 0 1 224.304 2.030 20 0 BEADMN CO[C@H]1CCC[C@@H](NCc2nc(C)co2)C1 ZINC001172915679 974965668 /nfs/dbraw/zinc/96/56/68/974965668.db2.gz UWIXOLRXQPZIAI-MNOVXSKESA-N 0 1 224.304 2.030 20 0 BEADMN CO[C@@H]1CCC[C@@H](N2C[C@@H](F)C[C@H]2CF)C1 ZINC001172932194 974984643 /nfs/dbraw/zinc/98/46/43/974984643.db2.gz QWFUZLIHZXAJHR-WHOHXGKFSA-N 0 1 233.302 2.326 20 0 BEADMN CCCOC1CN([C@H]2CCC[C@@H](OC)C2)C1 ZINC001172938299 974994240 /nfs/dbraw/zinc/99/42/40/974994240.db2.gz KZHCWMVIHSDMBF-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN Fc1ccc2nc(OC[C@H]3CCCO3)[nH]c2c1 ZINC001226701321 975032297 /nfs/dbraw/zinc/03/22/97/975032297.db2.gz OIVULZASHXSWCD-SECBINFHSA-N 0 1 236.246 2.260 20 0 BEADMN C[C@@H]1CCc2[nH]n(C3CCC3)c(=O)c2C1 ZINC001332278980 975040960 /nfs/dbraw/zinc/04/09/60/975040960.db2.gz SZCJPXJSPBPVDS-PSASIEDQSA-N 0 1 206.289 2.173 20 0 BEADMN COc1cccc2c1C[C@@H](N1CC(C)(C)C1)CO2 ZINC001173152587 975049943 /nfs/dbraw/zinc/04/99/43/975049943.db2.gz QWCZGXNFHIKLQN-LLVKDONJSA-N 0 1 247.338 2.341 20 0 BEADMN Cc1ccc2sc(CNC[C@H](C)O)nc2c1 ZINC001336845402 1169984220 /nfs/dbraw/zinc/98/42/20/1169984220.db2.gz PFEUGYRTXPFCFY-VIFPVBQESA-N 0 1 236.340 2.075 20 0 BEADMN C[C@H]1C[C@@H](N2CCC(F)(F)[C@H](F)C2)CCO1 ZINC001173170953 975067604 /nfs/dbraw/zinc/06/76/04/975067604.db2.gz AXKWEWLTKANGNX-LPEHRKFASA-N 0 1 237.265 2.233 20 0 BEADMN CCCCC[C@H]([NH2+]Cc1cnc(C)o1)C(=O)[O-] ZINC001332423206 975109951 /nfs/dbraw/zinc/10/99/51/975109951.db2.gz MBICMONTBRBKGS-NSHDSACASA-N 0 1 240.303 2.106 20 0 BEADMN CC[C@H](COC)Oc1ccc2nc[nH]c2c1 ZINC001226928083 975155908 /nfs/dbraw/zinc/15/59/08/975155908.db2.gz FMJBEBCILIJLSE-SECBINFHSA-N 0 1 220.272 2.367 20 0 BEADMN F[C@H]1COCC[C@@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929785 975158494 /nfs/dbraw/zinc/15/84/94/975158494.db2.gz KKPUUQBOLMNOST-CABZTGNLSA-N 0 1 236.246 2.069 20 0 BEADMN CC[C@@H](COc1ccc2nc[nH]c2c1)OC ZINC001226930119 975161131 /nfs/dbraw/zinc/16/11/31/975161131.db2.gz PRSJGXLMKOWHHC-VIFPVBQESA-N 0 1 220.272 2.367 20 0 BEADMN CC[C@H]1CC[C@H](N2CCN(C(C)C)C(=O)C2)C1 ZINC001173292510 975168835 /nfs/dbraw/zinc/16/88/35/975168835.db2.gz GZLRWOPDOBDIQH-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCc3c(ncn3C)C2)C1 ZINC001173294989 975178460 /nfs/dbraw/zinc/17/84/60/975178460.db2.gz OXAXMNZLCSHUMO-NWDGAFQWSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCc3c(ncn3C)C2)C1 ZINC001173294993 975179949 /nfs/dbraw/zinc/17/99/49/975179949.db2.gz OXAXMNZLCSHUMO-VXGBXAGGSA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@H](C)Nc1cccnc1CN ZINC001173297986 975185058 /nfs/dbraw/zinc/18/50/58/975185058.db2.gz IUVCRUURERUARD-VIFPVBQESA-N 0 1 225.361 2.094 20 0 BEADMN CC[C@@H](Oc1cc(=O)[nH]c(OC)n1)C(C)(C)C ZINC001227000329 975216213 /nfs/dbraw/zinc/21/62/13/975216213.db2.gz ISWDIAYAGUJTHY-MRVPVSSYSA-N 0 1 240.303 2.394 20 0 BEADMN C[C@H](COc1ccccc1F)[NH2+]Cc1c[nH]cn1 ZINC001332692494 975257138 /nfs/dbraw/zinc/25/71/38/975257138.db2.gz VGDPCBYNCYDWDZ-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN CCSC[C@@H](C)NCc1ncccc1OC ZINC001173292198 975266184 /nfs/dbraw/zinc/26/61/84/975266184.db2.gz VSOYOLKNVUMITA-SNVBAGLBSA-N 0 1 240.372 2.321 20 0 BEADMN O=C(OCc1nnc[nH]1)C1(C2CCCCC2)CC1 ZINC001332815162 975288434 /nfs/dbraw/zinc/28/84/34/975288434.db2.gz DWPGUODLPLNEHK-UHFFFAOYSA-N 0 1 249.314 2.208 20 0 BEADMN Cc1cc(C)c(C)c(NC[C@@H]2COCCN2)c1C ZINC000258950090 975292587 /nfs/dbraw/zinc/29/25/87/975292587.db2.gz QPUKEOAREGKUEM-CQSZACIVSA-N 0 1 248.370 2.321 20 0 BEADMN Cc1cc(C)c(C)c(NC[C@H]2COCCN2)c1C ZINC000258950087 975293179 /nfs/dbraw/zinc/29/31/79/975293179.db2.gz QPUKEOAREGKUEM-AWEZNQCLSA-N 0 1 248.370 2.321 20 0 BEADMN CCN1CC[C@@H](N[C@H](C(C)=O)c2ccccc2)C1 ZINC001173351973 975301054 /nfs/dbraw/zinc/30/10/54/975301054.db2.gz GTQMNJPDWIWMCO-HUUCEWRRSA-N 0 1 246.354 2.001 20 0 BEADMN O=C1CC(Oc2nc3ccc(Cl)cc3[nH]2)C1 ZINC001227262256 975338079 /nfs/dbraw/zinc/33/80/79/975338079.db2.gz LCNOVMROLLHUNO-UHFFFAOYSA-N 0 1 236.658 2.327 20 0 BEADMN Cc1cccc2nc(O[C@@H]3CCCOC3)[nH]c21 ZINC001227267382 975344841 /nfs/dbraw/zinc/34/48/41/975344841.db2.gz CMINPQTZXLJYRM-SNVBAGLBSA-N 0 1 232.283 2.429 20 0 BEADMN Cc1cccc2nc(O[C@@H]3CCOC3)[nH]c21 ZINC001227271172 975346389 /nfs/dbraw/zinc/34/63/89/975346389.db2.gz IXCDZQISKOOIDO-SECBINFHSA-N 0 1 218.256 2.039 20 0 BEADMN O=c1nc2[nH]ccc2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[nH]1 ZINC001227275571 975350149 /nfs/dbraw/zinc/35/01/49/975350149.db2.gz ZKVHYRFAIPZOKK-KHQFGBGNSA-N 0 1 245.282 2.231 20 0 BEADMN C[C@H]1CCCC[C@H]1Oc1ncnc2nc[nH]c21 ZINC001227531350 975513312 /nfs/dbraw/zinc/51/33/12/975513312.db2.gz IBXWBFFOPDGHSP-DTWKUNHWSA-N 0 1 232.287 2.310 20 0 BEADMN C[C@@H](Oc1ncnc2nc[nH]c21)c1ccco1 ZINC001227534982 975523015 /nfs/dbraw/zinc/52/30/15/975523015.db2.gz PWGHNUNCVOILSM-SSDOTTSWSA-N 0 1 230.227 2.086 20 0 BEADMN CCCC[C@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599269 975567037 /nfs/dbraw/zinc/56/70/37/975567037.db2.gz XGQKOMTWKPBYCK-ZETCQYMHSA-N 0 1 227.333 2.426 20 0 BEADMN CCC(CC)Oc1[nH]c(=S)nnc1C ZINC001227597880 975570771 /nfs/dbraw/zinc/57/07/71/975570771.db2.gz FGVYYZPHPQBCKH-UHFFFAOYSA-N 0 1 213.306 2.036 20 0 BEADMN OCc1cc(Nc2ccsc2)ccn1 ZINC001173819068 975594959 /nfs/dbraw/zinc/59/49/59/975594959.db2.gz UEDUHDSVVRKYTL-UHFFFAOYSA-N 0 1 206.270 2.379 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1cc(N)ccn1 ZINC001333273991 975612713 /nfs/dbraw/zinc/61/27/13/975612713.db2.gz WJMLXIIBOFIJLP-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN O=c1nc2cc[nH]c2c(OC(C2CC2)C2CC2)[nH]1 ZINC001227806803 975705653 /nfs/dbraw/zinc/70/56/53/975705653.db2.gz OLWNSDVLCGFDJR-UHFFFAOYSA-N 0 1 245.282 2.231 20 0 BEADMN CCc1ccc(Nc2cc(=O)[nH]c(OC)n2)cc1 ZINC001173868861 975816363 /nfs/dbraw/zinc/81/63/63/975816363.db2.gz COLCQPOXDAOOHA-UHFFFAOYSA-N 0 1 245.282 2.497 20 0 BEADMN Cc1cnc(NC(=O)c2c[nH]nc2C(C)(C)C)o1 ZINC001333499362 975816449 /nfs/dbraw/zinc/81/64/49/975816449.db2.gz HYDBGUGUJUWZCY-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN CCc1ccc(C(=O)Nc2c[nH]nn2)cc1CC ZINC001333508395 975822298 /nfs/dbraw/zinc/82/22/98/975822298.db2.gz JLWWYGLEQKITIZ-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CCN1CCC(Oc2cccnc2C(C)=O)CC1 ZINC001227976998 975822395 /nfs/dbraw/zinc/82/23/95/975822395.db2.gz BLSIVFAXFAQKQW-UHFFFAOYSA-N 0 1 248.326 2.147 20 0 BEADMN Cc1ncn(-c2cc(F)cc(F)c2)c1N ZINC001173914934 975896915 /nfs/dbraw/zinc/89/69/15/975896915.db2.gz WXNVOLMHVWHUIQ-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN CC(C)Cc1cc(Nc2ccncc2)on1 ZINC001173879509 975917124 /nfs/dbraw/zinc/91/71/24/975917124.db2.gz SDIYNWLSBQUMOR-UHFFFAOYSA-N 0 1 217.272 2.434 20 0 BEADMN Cc1cn2c(cccc2Nc2ccncc2)n1 ZINC001173879474 975918434 /nfs/dbraw/zinc/91/84/34/975918434.db2.gz PQNHJVRZJGSSIX-UHFFFAOYSA-N 0 1 224.267 2.203 20 0 BEADMN FC(F)Oc1cccnc1Nc1ccncc1 ZINC001173881352 975922040 /nfs/dbraw/zinc/92/20/40/975922040.db2.gz NYXQADOARNXLQZ-UHFFFAOYSA-N 0 1 237.209 2.244 20 0 BEADMN COC(=O)c1cc(Nc2ccncc2)cs1 ZINC001173882097 975928516 /nfs/dbraw/zinc/92/85/16/975928516.db2.gz RFMWFZMRFSWZGV-UHFFFAOYSA-N 0 1 234.280 2.095 20 0 BEADMN CCN(C)c1ccc(Nc2ccncc2)cn1 ZINC001173882006 975936116 /nfs/dbraw/zinc/93/61/16/975936116.db2.gz GVORDUWCBDFGTK-UHFFFAOYSA-N 0 1 228.299 2.098 20 0 BEADMN CCOc1ccncc1Nc1ccncc1 ZINC001173882144 975936522 /nfs/dbraw/zinc/93/65/22/975936522.db2.gz TWKDFIFOTJXICG-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN c1cc(Nc2ccc3c(c2)OCCCO3)ccn1 ZINC001173882696 975942431 /nfs/dbraw/zinc/94/24/31/975942431.db2.gz PEQNMQCFOSJGJG-UHFFFAOYSA-N 0 1 242.278 2.408 20 0 BEADMN c1cc(Nc2ccc(C3=NCCO3)cc2)ccn1 ZINC001173883213 975942637 /nfs/dbraw/zinc/94/26/37/975942637.db2.gz KLRLQWRQPNEDKC-UHFFFAOYSA-N 0 1 239.278 2.024 20 0 BEADMN c1cc2cc(Nc3ccncc3)cnc2o1 ZINC001173882705 975942994 /nfs/dbraw/zinc/94/29/94/975942994.db2.gz UKRADYQNNBIZQU-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN c1cc(Nc2ccc(OC3COC3)cc2)ccn1 ZINC001173883128 975943487 /nfs/dbraw/zinc/94/34/87/975943487.db2.gz ILROCBXOCHNAEY-UHFFFAOYSA-N 0 1 242.278 2.025 20 0 BEADMN O=C1C=C(Cl)C(Nc2ccncc2)=NC1 ZINC001173882975 975946840 /nfs/dbraw/zinc/94/68/40/975946840.db2.gz ZEFPZYYKYMPXPH-UHFFFAOYSA-N 0 1 221.647 2.001 20 0 BEADMN O=C1CCc2cc(Nc3ccncc3)ccc21 ZINC001173883191 975947780 /nfs/dbraw/zinc/94/77/80/975947780.db2.gz JZOYKEKBSHOKGA-UHFFFAOYSA-N 0 1 224.263 2.376 20 0 BEADMN COc1cc(OC)c(Nc2ccncc2)cc1F ZINC001173883420 975954481 /nfs/dbraw/zinc/95/44/81/975954481.db2.gz JCDFIHAOJMDYFI-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN c1cc2c(c(Nc3ccncc3)c1)CCO2 ZINC001173883716 975956684 /nfs/dbraw/zinc/95/66/84/975956684.db2.gz XPFYRANSLPZRBQ-UHFFFAOYSA-N 0 1 212.252 2.182 20 0 BEADMN Cc1cc2c(cccc2Nc2ccncc2)nn1 ZINC001173883410 975959910 /nfs/dbraw/zinc/95/99/10/975959910.db2.gz IMWMBICBEHIAOP-UHFFFAOYSA-N 0 1 236.278 2.499 20 0 BEADMN O=C1CCc2ccc(Nc3ccncc3)cc2N1 ZINC001173883292 975961479 /nfs/dbraw/zinc/96/14/79/975961479.db2.gz GGXJVRFZNOHLLH-UHFFFAOYSA-N 0 1 239.278 2.132 20 0 BEADMN c1cc2snnc2c(Nc2ccncc2)c1 ZINC001173884160 975965154 /nfs/dbraw/zinc/96/51/54/975965154.db2.gz KJXFVADDEPALAG-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN c1ccc(OC2COC2)c(Nc2ccncc2)c1 ZINC001173884846 975969566 /nfs/dbraw/zinc/96/95/66/975969566.db2.gz UQNZUJBQRAFYFH-UHFFFAOYSA-N 0 1 242.278 2.025 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)cc1OC ZINC001173886875 975977521 /nfs/dbraw/zinc/97/75/21/975977521.db2.gz PSXBVVDRJZHUSU-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN CN1CCc2ccc(Nc3ccncc3)cc21 ZINC001173885398 975980233 /nfs/dbraw/zinc/98/02/33/975980233.db2.gz XZULSWGKVHJLNB-UHFFFAOYSA-N 0 1 225.295 2.239 20 0 BEADMN COc1ccc(Nc2c(C)ncn2C)c(OC)c1 ZINC001173890394 975995028 /nfs/dbraw/zinc/99/50/28/975995028.db2.gz GZPRCFDBDQQNOQ-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN COc1ccc(Nc2ccc3nccn3c2)cn1 ZINC001173958224 975998836 /nfs/dbraw/zinc/99/88/36/975998836.db2.gz BQTUZMJSQULDTQ-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN c1nnc(CSCCOCc2ccccc2)[nH]1 ZINC001333736886 976048927 /nfs/dbraw/zinc/04/89/27/976048927.db2.gz OFYHQODXCBIABD-UHFFFAOYSA-N 0 1 249.339 2.255 20 0 BEADMN Cc1coc(CN2CCOC[C@H](C)C2)c1 ZINC001333782021 976079390 /nfs/dbraw/zinc/07/93/90/976079390.db2.gz SKZOWQUJBIXCRP-LLVKDONJSA-N 0 1 209.289 2.056 20 0 BEADMN Cn1nc2c(c1CN1CC3(C1)CCCC3)CCC2 ZINC001333821250 976104393 /nfs/dbraw/zinc/10/43/93/976104393.db2.gz BFKUWUPDNPRYEX-UHFFFAOYSA-N 0 1 245.370 2.285 20 0 BEADMN CC(=O)[C@@H](C)Oc1ccc2nc(C)[nH]c2c1 ZINC001228326104 976119313 /nfs/dbraw/zinc/11/93/13/976119313.db2.gz FLGYFFBBVMGBFD-MRVPVSSYSA-N 0 1 218.256 2.228 20 0 BEADMN Cc1nc2ccc(OC[C@H]3CCO3)cc2[nH]1 ZINC001228327979 976119748 /nfs/dbraw/zinc/11/97/48/976119748.db2.gz YORMCJCQGHSTBJ-SNVBAGLBSA-N 0 1 218.256 2.039 20 0 BEADMN CC(=O)Nc1ccccc1Nc1cncn1C ZINC001173993377 976133650 /nfs/dbraw/zinc/13/36/50/976133650.db2.gz JHAPZYCZKHTAQU-UHFFFAOYSA-N 0 1 230.271 2.122 20 0 BEADMN NC(=O)c1nc(Cl)ccc1NC1=CCCC1 ZINC001173997183 976137605 /nfs/dbraw/zinc/13/76/05/976137605.db2.gz SJOGGAFQVBUVIA-UHFFFAOYSA-N 0 1 237.690 2.314 20 0 BEADMN Nc1cncn1-c1cnc2ccccc2c1 ZINC001174000812 976164459 /nfs/dbraw/zinc/16/44/59/976164459.db2.gz KNJDXNRVMNWASB-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN O=c1cc(O)nc(O[C@H]2CCC=CCCC2)[nH]1 ZINC001228387453 976181001 /nfs/dbraw/zinc/18/10/01/976181001.db2.gz APHXFUXLIJJFKF-VIFPVBQESA-N 0 1 236.271 2.156 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1Oc1nc(O)cc(=O)[nH]1 ZINC001228389272 976182669 /nfs/dbraw/zinc/18/26/69/976182669.db2.gz UJXJEFOQLSKKGE-HTQZYQBOSA-N 0 1 238.287 2.091 20 0 BEADMN CCC[C@H](Oc1nc(O)cc(=O)[nH]1)C(C)C ZINC001228389305 976183200 /nfs/dbraw/zinc/18/32/00/976183200.db2.gz UTLILQWWSYTFQX-QMMMGPOBSA-N 0 1 226.276 2.091 20 0 BEADMN Cc1cnc(NC(=O)c2[nH]cnc2C(C)(C)C)o1 ZINC001333985255 976199337 /nfs/dbraw/zinc/19/93/37/976199337.db2.gz XHGKNARXOLPLOB-UHFFFAOYSA-N 0 1 248.286 2.256 20 0 BEADMN Cc1ccc(-n2cncc2N)c(Cl)c1 ZINC001174045140 976270153 /nfs/dbraw/zinc/27/01/53/976270153.db2.gz UVKNAEGKPZDXFB-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN Cc1ncn(-c2cc(C)ccc2F)c1N ZINC001174111526 976324211 /nfs/dbraw/zinc/32/42/11/976324211.db2.gz RXJCVLAOIKMGLW-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN COC(=O)c1ccc(OC)c(CN2CCCC2)c1 ZINC000259407237 976347642 /nfs/dbraw/zinc/34/76/42/976347642.db2.gz KHNLJJIVUVGYQL-UHFFFAOYSA-N 0 1 249.310 2.078 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1nnc(OC)s1 ZINC001334194050 976368307 /nfs/dbraw/zinc/36/83/07/976368307.db2.gz MVOJQZKNIPHECQ-RKDXNWHRSA-N 0 1 241.360 2.215 20 0 BEADMN C[C@H](Oc1ccc2[nH]nnc2c1)c1ccncc1 ZINC001228664607 976420834 /nfs/dbraw/zinc/42/08/34/976420834.db2.gz OVKAMUMXTJAYNI-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@@H]2Oc1ccc2[nH]nnc2c1 ZINC001228663578 976422401 /nfs/dbraw/zinc/42/24/01/976422401.db2.gz DLSVLLMPUMLFCR-RWEMILLDSA-N 0 1 227.267 2.301 20 0 BEADMN CCCOC[C@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228663322 976422447 /nfs/dbraw/zinc/42/24/47/976422447.db2.gz AGOPZPCXPQQYOX-VIFPVBQESA-N 0 1 235.287 2.152 20 0 BEADMN CCC(=O)[C@@H](CC)Oc1ccc2[nH]nnc2c1 ZINC001228668156 976425814 /nfs/dbraw/zinc/42/58/14/976425814.db2.gz ZCLRWAQJDZOORP-GFCCVEGCSA-N 0 1 233.271 2.094 20 0 BEADMN C1=CO[C@@H](COc2ccc3[nH]nnc3c2)CC1 ZINC001228668075 976426879 /nfs/dbraw/zinc/42/68/79/976426879.db2.gz YBXFLYVJLNFXKH-SNVBAGLBSA-N 0 1 231.255 2.029 20 0 BEADMN CC(C)[C@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228667578 976427844 /nfs/dbraw/zinc/42/78/44/976427844.db2.gz NPACLSREFXHOAU-QMMMGPOBSA-N 0 1 205.261 2.381 20 0 BEADMN COC1(CN2CC(C(F)(F)F)C2)CCC1 ZINC001334310681 976442528 /nfs/dbraw/zinc/44/25/28/976442528.db2.gz ZYZGMUDPNCHLOA-UHFFFAOYSA-N 0 1 223.238 2.050 20 0 BEADMN Cc1cc(CN[C@@H](c2ccncc2)C2CC2)[nH]n1 ZINC001334345263 976459586 /nfs/dbraw/zinc/45/95/86/976459586.db2.gz KZAPKILSBZIAAB-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN Cc1cc(Nc2cn[nH]c2)c2ccccc2n1 ZINC001174292444 976464300 /nfs/dbraw/zinc/46/43/00/976464300.db2.gz SUDLLOAMJQIKDK-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN Nc1ccc2cnn(-c3ccc4n[nH]cc4c3)c2c1 ZINC001174272967 976495602 /nfs/dbraw/zinc/49/56/02/976495602.db2.gz IBENNYIWMXWLII-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN OCc1cc(Nc2ccc3n[nH]cc3c2)ccn1 ZINC001174273466 976498792 /nfs/dbraw/zinc/49/87/92/976498792.db2.gz BMUPXEKESXOPHS-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2nccc3cccnc32)C1 ZINC001228808935 976505089 /nfs/dbraw/zinc/50/50/89/976505089.db2.gz DPMJKLCCCACXMR-LBPRGKRZSA-N 0 1 243.310 2.103 20 0 BEADMN CCN1CC[C@H](Oc2cccc3c2C(=O)CC3)C1 ZINC001228837476 976512506 /nfs/dbraw/zinc/51/25/06/976512506.db2.gz LHIMTGJWRZRHRF-LBPRGKRZSA-N 0 1 245.322 2.289 20 0 BEADMN Cc1ncn(C)c1Nc1ccc2cnn(C)c2c1 ZINC001174338510 976561240 /nfs/dbraw/zinc/56/12/40/976561240.db2.gz PMCGQRICUVHBQJ-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN O=c1[nH]cccc1Nc1cccc2[nH]ncc21 ZINC001174342249 976563101 /nfs/dbraw/zinc/56/31/01/976563101.db2.gz HKXLVODGYUJQAS-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN Cc1cc(Nc2cccc3[nH]ncc32)n(C)n1 ZINC001174342363 976566048 /nfs/dbraw/zinc/56/60/48/976566048.db2.gz MUXPIWRMZIILSI-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1cncc(Nc2cccc3[nH]ncc32)n1 ZINC001174343335 976568775 /nfs/dbraw/zinc/56/87/75/976568775.db2.gz LZIJZOKBXMYNON-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Cc1cnn(C)c1Nc1cccc2[nH]ncc21 ZINC001174344095 976573452 /nfs/dbraw/zinc/57/34/52/976573452.db2.gz WXFREDAAHLGOCT-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H]2CCC[C@H](C)C2)n1 ZINC001228918345 976576520 /nfs/dbraw/zinc/57/65/20/976576520.db2.gz OJZPJQHYKTXTCI-IUCAKERBSA-N 0 1 238.287 2.148 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918360 976578942 /nfs/dbraw/zinc/57/89/42/976578942.db2.gz OWNQUAJWMKNALW-SFYZADRCSA-N 0 1 226.276 2.004 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H]2CCCC[C@@H]2C)n1 ZINC001228918075 976579869 /nfs/dbraw/zinc/57/98/69/976579869.db2.gz LKTHCKWZUXPGDB-DTWKUNHWSA-N 0 1 238.287 2.148 20 0 BEADMN CC(C)(C(=O)NC1C(C)(C)C1(C)C)c1cnc[nH]1 ZINC001334722329 976601836 /nfs/dbraw/zinc/60/18/36/976601836.db2.gz ZRYYAMYOCSTMIK-UHFFFAOYSA-N 0 1 249.358 2.238 20 0 BEADMN c1cc2c(OCCOC3CCCC3)nnc-2c[nH]1 ZINC001228988874 976612342 /nfs/dbraw/zinc/61/23/42/976612342.db2.gz BLKSFCQRANSEQJ-UHFFFAOYSA-N 0 1 247.298 2.296 20 0 BEADMN C1=C[C@@H](Oc2nnc3c[nH]ccc2-3)CCC1 ZINC001228989197 976613472 /nfs/dbraw/zinc/61/34/72/976613472.db2.gz FUMWECSMJYLJPQ-SECBINFHSA-N 0 1 215.256 2.445 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)C1CCOCC1 ZINC001228994760 976623777 /nfs/dbraw/zinc/62/37/77/976623777.db2.gz GBGBSSGWBJIVFT-VIFPVBQESA-N 0 1 247.298 2.152 20 0 BEADMN COc1nccnc1Nc1ccc2cn[nH]c2c1 ZINC001174497834 976716380 /nfs/dbraw/zinc/71/63/80/976716380.db2.gz LOWYDOGZJDTWSS-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CN(c1ccc2cn[nH]c2c1)c1ncccc1N ZINC001174498382 976721683 /nfs/dbraw/zinc/72/16/83/976721683.db2.gz CEFDLFWQFFWXSD-UHFFFAOYSA-N 0 1 239.282 2.308 20 0 BEADMN Cc1ncc(Nc2ccc3c[nH]nc3c2)c(=O)[nH]1 ZINC001174499437 976725503 /nfs/dbraw/zinc/72/55/03/976725503.db2.gz WASBRFICOGXGIC-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN COc1ccc(Nc2ccc3cn[nH]c3c2)nn1 ZINC001174499149 976729262 /nfs/dbraw/zinc/72/92/62/976729262.db2.gz MPEYFPNRQSYBIO-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN CN1CC[C@@H](Oc2c(O)cccc2Cl)C1 ZINC001229117508 976750246 /nfs/dbraw/zinc/75/02/46/976750246.db2.gz LYOAXCQILCDYNB-MRVPVSSYSA-N 0 1 227.691 2.129 20 0 BEADMN O=C(NCC[C@@H]1CCC(F)(F)C1)C(F)(F)F ZINC001334882409 976768665 /nfs/dbraw/zinc/76/86/65/976768665.db2.gz NLSPBTFYHVABLB-LURJTMIESA-N 0 1 245.191 2.490 20 0 BEADMN CN(CCOCC1CC1)Cc1ccnc(F)c1 ZINC001334972630 976809730 /nfs/dbraw/zinc/80/97/30/976809730.db2.gz NAOLUIBGBKHNJW-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1cnccc1Nc1ncc2ccccc2n1 ZINC001174536225 976817527 /nfs/dbraw/zinc/81/75/27/976817527.db2.gz NSHACIRQWRFSQW-UHFFFAOYSA-N 0 1 236.278 2.499 20 0 BEADMN Cc1cnccc1N(c1ncc(N)cn1)C(C)C ZINC001174537228 976822333 /nfs/dbraw/zinc/82/23/33/976822333.db2.gz CROYIDMXCANBCE-UHFFFAOYSA-N 0 1 243.314 2.309 20 0 BEADMN C[C@H](CC1CC1)NCc1nc(C(F)F)no1 ZINC001335088507 976848111 /nfs/dbraw/zinc/84/81/11/976848111.db2.gz FZWFWWIXYUFORM-ZCFIWIBFSA-N 0 1 231.246 2.285 20 0 BEADMN CC(C)=CNc1nc[nH]c(=O)c1Br ZINC001174553592 976855461 /nfs/dbraw/zinc/85/54/61/976855461.db2.gz LLHMZNFGHSRQLW-UHFFFAOYSA-N 0 1 244.092 2.280 20 0 BEADMN CO[C@H](C)COc1[nH]c(=O)nc2c(C)cccc21 ZINC001229405429 976862034 /nfs/dbraw/zinc/86/20/34/976862034.db2.gz QXDVLJLKWAZCRT-SECBINFHSA-N 0 1 248.282 2.058 20 0 BEADMN CC(=O)[C@@H](C)Oc1[nH]c(=O)nc2c(C)cccc21 ZINC001229409047 976863312 /nfs/dbraw/zinc/86/33/12/976863312.db2.gz ZJMPTTYUJVRRTM-SECBINFHSA-N 0 1 246.266 2.000 20 0 BEADMN CC(C)=CNc1cccnc1N1CCN(C)CC1 ZINC001174557673 976866920 /nfs/dbraw/zinc/86/69/20/976866920.db2.gz ODNJEDJSHBHXJY-UHFFFAOYSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1cc(O)ccc1Nc1ccnc(CO)c1 ZINC001174560663 976876351 /nfs/dbraw/zinc/87/63/51/976876351.db2.gz STBBPKIWTKLXIO-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN Cn1ccnc1Nc1cc(F)ccc1O ZINC001174624560 976895286 /nfs/dbraw/zinc/89/52/86/976895286.db2.gz KSGTWIGQXKDDRF-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN Cc1ncn(-c2ccc(C)c(C)c2)c1N ZINC001174632272 976901745 /nfs/dbraw/zinc/90/17/45/976901745.db2.gz FKYVBDSTPGCQAD-UHFFFAOYSA-N 0 1 201.273 2.380 20 0 BEADMN Cc1cc([S-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC001229635514 976920234 /nfs/dbraw/zinc/92/02/34/976920234.db2.gz YCQCOWGOGUREIM-SNVBAGLBSA-N 0 1 223.341 2.367 20 0 BEADMN CCCC[N@@H+](CCC)Cc1cn(C)cn1 ZINC001206230013 976990331 /nfs/dbraw/zinc/99/03/31/976990331.db2.gz AEEHQHYDILFYDB-UHFFFAOYSA-N 0 1 209.337 2.432 20 0 BEADMN C=CNc1ccc(N2CCN(C)CC2)cc1OC ZINC001174781166 976999793 /nfs/dbraw/zinc/99/97/93/976999793.db2.gz LAEUQZJRNUFJMQ-UHFFFAOYSA-N 0 1 247.342 2.002 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701541908 977024105 /nfs/dbraw/zinc/02/41/05/977024105.db2.gz IHHAHKADBHSLRL-JSGCOSHPSA-N 0 1 249.310 2.275 20 0 BEADMN COCn1ncc(C)c1CNCc1ccccc1 ZINC001335393329 977025385 /nfs/dbraw/zinc/02/53/85/977025385.db2.gz WWHGCVDYWFMKLB-UHFFFAOYSA-N 0 1 245.326 2.085 20 0 BEADMN COc1ccc(O[C@@H]2CCCN(C)C2)c(F)c1 ZINC001229997342 977052466 /nfs/dbraw/zinc/05/24/66/977052466.db2.gz XJKZBARFVOJEOE-LLVKDONJSA-N 0 1 239.290 2.307 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)c1ccc(Cl)cc1 ZINC001300694388 1170013812 /nfs/dbraw/zinc/01/38/12/1170013812.db2.gz PVCVSVIGYAQXGW-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN CC(C)(C)CC(C)(C)C(=O)OCc1nnc[nH]1 ZINC001335437838 977055802 /nfs/dbraw/zinc/05/58/02/977055802.db2.gz XNTGEBBYSFDJSV-UHFFFAOYSA-N 0 1 239.319 2.310 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1nc[nH]c(=O)c1Cl ZINC001230014664 977064340 /nfs/dbraw/zinc/06/43/40/977064340.db2.gz OCKCSXJNJVAURW-NKWVEPMBSA-N 0 1 228.679 2.403 20 0 BEADMN OCc1cc(Nc2ccc3c(c2)OCO3)ccn1 ZINC001174862433 977130119 /nfs/dbraw/zinc/13/01/19/977130119.db2.gz TUJBBLBFAXEOQI-UHFFFAOYSA-N 0 1 244.250 2.046 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@@H]1CCCO1 ZINC001230223167 977130797 /nfs/dbraw/zinc/13/07/97/977130797.db2.gz NINXUAGZPDNRGH-NSHDSACASA-N 0 1 232.283 2.429 20 0 BEADMN CC[C@@H](Oc1cc2cn[nH]c2cc1C)C(=O)OC ZINC001230225358 977130894 /nfs/dbraw/zinc/13/08/94/977130894.db2.gz QPVQFUQJMNNGMT-LLVKDONJSA-N 0 1 248.282 2.202 20 0 BEADMN CN(C)c1ccc(Nc2ccnc(CO)c2)cc1 ZINC001174877826 977147403 /nfs/dbraw/zinc/14/74/03/977147403.db2.gz UDQKBOPAVJWCDC-UHFFFAOYSA-N 0 1 243.310 2.384 20 0 BEADMN c1nnc(Nc2cccc3ncccc32)o1 ZINC001174904473 977158828 /nfs/dbraw/zinc/15/88/28/977158828.db2.gz DNCSAZYOZRDNOU-UHFFFAOYSA-N 0 1 212.212 2.361 20 0 BEADMN COc1cccc(F)c1Nc1nonc1C ZINC001174991809 977196282 /nfs/dbraw/zinc/19/62/82/977196282.db2.gz HYOJBLFBABWELU-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC000260138124 977251815 /nfs/dbraw/zinc/25/18/15/977251815.db2.gz QHJSQSFAAMNKPI-MFKMUULPSA-N 0 1 231.295 2.369 20 0 BEADMN CCOc1ccc(-n2cncc2N)c(F)c1F ZINC001175149639 977271324 /nfs/dbraw/zinc/27/13/24/977271324.db2.gz CMYKZNRVWFYARD-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN Oc1cc(Cl)cnc1N=c1cc[nH]cc1F ZINC001175197166 977293072 /nfs/dbraw/zinc/29/30/72/977293072.db2.gz LGICTYFNCPYNLV-UHFFFAOYSA-N 0 1 239.637 2.140 20 0 BEADMN CCOc1ccc(-n2cncc2N)c(C)c1 ZINC001175242791 977340037 /nfs/dbraw/zinc/34/00/37/977340037.db2.gz FTCPDBXEEFTJGY-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN F[C@@H]1CCCC[C@H]1Oc1nncc2n[nH]cc21 ZINC001230901289 977372933 /nfs/dbraw/zinc/37/29/33/977372933.db2.gz PHHDIXHJIZRNEP-PSASIEDQSA-N 0 1 236.250 2.012 20 0 BEADMN COC[C@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931915 977387316 /nfs/dbraw/zinc/38/73/16/977387316.db2.gz RXFDTVKECBUZJY-ZETCQYMHSA-N 0 1 224.235 2.116 20 0 BEADMN Fc1cc(OC2CCOCC2)cc2[nH]ncc21 ZINC001230931259 977387644 /nfs/dbraw/zinc/38/76/44/977387644.db2.gz WOCFUCINHPVFQU-UHFFFAOYSA-N 0 1 236.246 2.260 20 0 BEADMN CC(=O)[C@@H](C)Oc1cc2[nH]ncc2c(F)c1 ZINC001230931880 977388639 /nfs/dbraw/zinc/38/86/39/977388639.db2.gz RIPXAKAGIUCBMV-SSDOTTSWSA-N 0 1 222.219 2.058 20 0 BEADMN CC(=O)c1cc(O[C@@H]2CCN(C)C2)ccc1F ZINC001230953601 977400385 /nfs/dbraw/zinc/40/03/85/977400385.db2.gz KTJFTJDEKXILCH-LLVKDONJSA-N 0 1 237.274 2.111 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cn(C)cn1 ZINC001206248945 977418377 /nfs/dbraw/zinc/41/83/77/977418377.db2.gz HFSNOHJDHBEFEA-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN Cc1ncn(C)c1Nc1cccc2c1cnn2C ZINC001175434866 977430075 /nfs/dbraw/zinc/43/00/75/977430075.db2.gz PPRWIXLPPNHZBH-UHFFFAOYSA-N 0 1 241.298 2.359 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCOC(C)(C)C ZINC001594213593 977555273 /nfs/dbraw/zinc/55/52/73/977555273.db2.gz HLAJIFDAFQKYMG-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN C[C@@H]1c2ccccc2C[N@H+]1[C@H](C(=O)[O-])C1CC1 ZINC001594231329 977569231 /nfs/dbraw/zinc/56/92/31/977569231.db2.gz NWRQADKOLQBIOM-RNCFNFMXSA-N 0 1 231.295 2.426 20 0 BEADMN CCC(CC)Oc1nc[nH]c(=O)c1Cl ZINC000721620368 977570052 /nfs/dbraw/zinc/57/00/52/977570052.db2.gz PWVUNJUSFOSJHZ-UHFFFAOYSA-N 0 1 216.668 2.403 20 0 BEADMN COc1cc(NC2=CCCN(C)C2)cc(C)n1 ZINC001175576021 977580263 /nfs/dbraw/zinc/58/02/63/977580263.db2.gz BGTNNLJPZDOYOZ-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN Cc1ccc(NC2=CCCN(C)C2)c(O)c1 ZINC001175576669 977592091 /nfs/dbraw/zinc/59/20/91/977592091.db2.gz OQSODXNKPYZAKL-UHFFFAOYSA-N 0 1 218.300 2.332 20 0 BEADMN Cc1cc(F)c(NC2=CCCN(C)C2)cc1O ZINC001175580225 977593226 /nfs/dbraw/zinc/59/32/26/977593226.db2.gz LGJKGVYBZTULQC-UHFFFAOYSA-N 0 1 236.290 2.471 20 0 BEADMN Cc1cc(F)cc(NC2=CCCN(C)C2)c1O ZINC001175580439 977594249 /nfs/dbraw/zinc/59/42/49/977594249.db2.gz OJYQCLHZLHIECZ-UHFFFAOYSA-N 0 1 236.290 2.471 20 0 BEADMN COc1cc(F)ccc1NC1=CCCN(C)C1 ZINC001175579993 977599524 /nfs/dbraw/zinc/59/95/24/977599524.db2.gz SXKAYBYKOXCYFR-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN OCc1cc(Nc2cccc3c[nH]nc32)ccn1 ZINC001175636107 977607159 /nfs/dbraw/zinc/60/71/59/977607159.db2.gz YZPPPWUBFLRTDV-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1[nH]nc2cc(-n3cc(N)c(Cl)n3)ccc12 ZINC001175660660 977640901 /nfs/dbraw/zinc/64/09/01/977640901.db2.gz UNGBBSMSDLUBHW-UHFFFAOYSA-N 0 1 247.689 2.293 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2nccnc2CN)[C@@H]1C ZINC001336439955 977685383 /nfs/dbraw/zinc/68/53/83/977685383.db2.gz RUJHTOKHAUQYBF-MXWKQRLJSA-N 0 1 234.347 2.172 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1nccnc1CN ZINC001336476053 977711737 /nfs/dbraw/zinc/71/17/37/977711737.db2.gz FHNBCKPTJQBWJR-GHMZBOCLSA-N 0 1 234.347 2.174 20 0 BEADMN CC(C)CCC(=O)N(C)C1CN(CC(C)C)C1 ZINC001277555424 977717267 /nfs/dbraw/zinc/71/72/67/977717267.db2.gz QPGUSBSBXPZWBX-UHFFFAOYSA-N 0 1 240.391 2.221 20 0 BEADMN CN(CC[NH+](C)C)Cc1ccc(Cl)c([O-])c1 ZINC001231730392 977720372 /nfs/dbraw/zinc/72/03/72/977720372.db2.gz AJQDGEMAWCCNJW-UHFFFAOYSA-N 0 1 242.750 2.039 20 0 BEADMN CCCc1ccccc1C(=O)N1CC(N(C)C)C1 ZINC001336497761 977725129 /nfs/dbraw/zinc/72/51/29/977725129.db2.gz WNVHRZNKRYXEPP-UHFFFAOYSA-N 0 1 246.354 2.025 20 0 BEADMN CCOc1ncccc1CN(CC)C1CC1 ZINC001231760707 977737611 /nfs/dbraw/zinc/73/76/11/977737611.db2.gz MRCPDHJPCPBNRS-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN COc1cc(-n2cncc2N)ccc1Cl ZINC001175774674 977745229 /nfs/dbraw/zinc/74/52/29/977745229.db2.gz YHHDQRMOUZWQQK-UHFFFAOYSA-N 0 1 223.663 2.117 20 0 BEADMN CC(C)(C)Oc1ccc(CN2CC(CO)C2)cc1 ZINC001231805352 977755278 /nfs/dbraw/zinc/75/52/78/977755278.db2.gz MAMSZBPXNYIQMC-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN Nc1nccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC001336532313 977758769 /nfs/dbraw/zinc/75/87/69/977758769.db2.gz PALKCDBPMNMDJR-OUAUKWLOSA-N 0 1 232.331 2.440 20 0 BEADMN CCOCCCN1CCCC[C@H]1c1ncccn1 ZINC001175846065 977762748 /nfs/dbraw/zinc/76/27/48/977762748.db2.gz TTYNNCLNUPPDBH-ZDUSSCGKSA-N 0 1 249.358 2.430 20 0 BEADMN COc1cccc(-n2cncc2N)c1Cl ZINC001175894556 977774378 /nfs/dbraw/zinc/77/43/78/977774378.db2.gz SFUYFBJGBCPPCO-UHFFFAOYSA-N 0 1 223.663 2.117 20 0 BEADMN CC(C)C[C@H]1CCCCN1c1nccnc1CN ZINC001336559837 977780969 /nfs/dbraw/zinc/78/09/69/977780969.db2.gz CWROBLMJBFAJKZ-GFCCVEGCSA-N 0 1 248.374 2.340 20 0 BEADMN Cc1ncn(-c2cccc3c2ccn3C)c1N ZINC001175866351 977790726 /nfs/dbraw/zinc/79/07/26/977790726.db2.gz SPRREMHYGINCAC-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN CCCCCN(C)Cc1cnc(OC)cn1 ZINC001231933403 977803213 /nfs/dbraw/zinc/80/32/13/977803213.db2.gz HNKBHLQPCLSPPO-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(F)cc2C)C1 ZINC001231984870 977821773 /nfs/dbraw/zinc/82/17/73/977821773.db2.gz GZJWKPSGNCOCPB-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(F)ncc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001231985397 977822101 /nfs/dbraw/zinc/82/21/01/977822101.db2.gz ZIDMXJFDXCAYST-ZMLRMANQSA-N 0 1 238.281 2.461 20 0 BEADMN Cc1cc(F)ncc1CN(C)[C@@H]1CCCOC1 ZINC001231986040 977823235 /nfs/dbraw/zinc/82/32/35/977823235.db2.gz CHIOKCWRGDPJOC-GFCCVEGCSA-N 0 1 238.306 2.140 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001594839626 977847175 /nfs/dbraw/zinc/84/71/75/977847175.db2.gz QKCJNGPUIIVOJO-OLZOCXBDSA-N 0 1 249.285 2.436 20 0 BEADMN Fc1cccc(Nc2ccc3nn[nH]c3c2)n1 ZINC001175995711 977851454 /nfs/dbraw/zinc/85/14/54/977851454.db2.gz HLLRASQWNGJKTN-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Fc1cccc(Nc2ccc3n[nH]nc3c2)n1 ZINC001175995711 977851457 /nfs/dbraw/zinc/85/14/57/977851457.db2.gz HLLRASQWNGJKTN-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN Cc1csc(Nc2ccc3n[nH]nc3c2)n1 ZINC001175996893 977855723 /nfs/dbraw/zinc/85/57/23/977855723.db2.gz VVBGTYIDJDGMOU-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1csc(Nc2ccc3nn[nH]c3c2)n1 ZINC001175996893 977855731 /nfs/dbraw/zinc/85/57/31/977855731.db2.gz VVBGTYIDJDGMOU-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN CC(C)n1cnc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176001881 977856495 /nfs/dbraw/zinc/85/64/95/977856495.db2.gz KWAXYWGTRDVYQW-UHFFFAOYSA-N 0 1 242.286 2.479 20 0 BEADMN CC(C)n1cnc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176001881 977856498 /nfs/dbraw/zinc/85/64/98/977856498.db2.gz KWAXYWGTRDVYQW-UHFFFAOYSA-N 0 1 242.286 2.479 20 0 BEADMN CCOc1cc(Nc2ccc3nn[nH]c3c2)no1 ZINC001175998273 977856560 /nfs/dbraw/zinc/85/65/60/977856560.db2.gz HNNYQNCIQQBLRE-UHFFFAOYSA-N 0 1 245.242 2.088 20 0 BEADMN CCOc1cc(Nc2ccc3n[nH]nc3c2)no1 ZINC001175998273 977856562 /nfs/dbraw/zinc/85/65/62/977856562.db2.gz HNNYQNCIQQBLRE-UHFFFAOYSA-N 0 1 245.242 2.088 20 0 BEADMN Fc1cnc(Nc2ccc3n[nH]nc3c2)s1 ZINC001175996323 977856802 /nfs/dbraw/zinc/85/68/02/977856802.db2.gz PROZNHUGWBYLQV-UHFFFAOYSA-N 0 1 235.247 2.297 20 0 BEADMN Fc1cnc(Nc2ccc3nn[nH]c3c2)s1 ZINC001175996323 977856804 /nfs/dbraw/zinc/85/68/04/977856804.db2.gz PROZNHUGWBYLQV-UHFFFAOYSA-N 0 1 235.247 2.297 20 0 BEADMN OCc1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176005889 977859953 /nfs/dbraw/zinc/85/99/53/977859953.db2.gz NUGQOOCRANQLCY-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN OCc1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176005889 977859956 /nfs/dbraw/zinc/85/99/56/977859956.db2.gz NUGQOOCRANQLCY-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1cncc(O)c1 ZINC001232039901 977865539 /nfs/dbraw/zinc/86/55/39/977865539.db2.gz NLWVYDBBSJLHMO-JTQLQIEISA-N 0 1 206.289 2.162 20 0 BEADMN c1c[nH]c(Nc2cnc3c(C4CC4)cnn3c2)n1 ZINC001176082238 977879578 /nfs/dbraw/zinc/87/95/78/977879578.db2.gz AMXKMALTQDKSTH-UHFFFAOYSA-N 0 1 240.270 2.073 20 0 BEADMN C[C@@H]1CCc2cc(N)ccc2N1c1ncc[nH]1 ZINC001176082585 977879990 /nfs/dbraw/zinc/87/99/90/977879990.db2.gz FBKKETCCICSJPN-SECBINFHSA-N 0 1 228.299 2.465 20 0 BEADMN CC(=O)c1sccc1Nc1ncc[nH]1 ZINC001176082068 977881242 /nfs/dbraw/zinc/88/12/42/977881242.db2.gz QYUXJMIGMPNCDU-UHFFFAOYSA-N 0 1 207.258 2.417 20 0 BEADMN FC(F)(F)Oc1ccncc1Nc1ncc[nH]1 ZINC001176082425 977881296 /nfs/dbraw/zinc/88/12/96/977881296.db2.gz JYJOISIUETWJNH-UHFFFAOYSA-N 0 1 244.176 2.447 20 0 BEADMN O=c1cccc2[nH]cc(Nc3ncc[nH]3)cc1-2 ZINC001176082278 977881607 /nfs/dbraw/zinc/88/16/07/977881607.db2.gz CGUFBXKXUZFIDA-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN CCOc1ccc(CNCc2cc(CC)[nH]n2)o1 ZINC001336722312 977883157 /nfs/dbraw/zinc/88/31/57/977883157.db2.gz OWVAXWSAZUSIMM-UHFFFAOYSA-N 0 1 249.314 2.254 20 0 BEADMN Cc1cccc2c1nc(N)n2C1=CCOCC1 ZINC001176139439 977912954 /nfs/dbraw/zinc/91/29/54/977912954.db2.gz SCFNNFMCLAPICX-UHFFFAOYSA-N 0 1 229.283 2.188 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@@H](C(C)C)C2)n1 ZINC001336751925 977914526 /nfs/dbraw/zinc/91/45/26/977914526.db2.gz YFDCIRASRPGRRH-LLVKDONJSA-N 0 1 234.347 2.240 20 0 BEADMN CC(C)CCn1[nH]c(C2CCC2)cc1=O ZINC001336776165 977947479 /nfs/dbraw/zinc/94/74/79/977947479.db2.gz DAIQCLXCTWMJOM-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN CCOCC1CCN(Cc2cnsc2)CC1 ZINC001232230652 977964230 /nfs/dbraw/zinc/96/42/30/977964230.db2.gz RCWUUAAECXUNPC-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN Cc1cccc2ncc(Nc3ccc(=O)[nH]c3)n21 ZINC001176127192 977966862 /nfs/dbraw/zinc/96/68/62/977966862.db2.gz DKSXWOMJZQBXFC-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN Cc1ncn(C)c1Nc1c(C)noc1C ZINC001176175500 977974616 /nfs/dbraw/zinc/97/46/16/977974616.db2.gz ABIPSOLGTJJHPX-UHFFFAOYSA-N 0 1 206.249 2.077 20 0 BEADMN CCOc1ccc(CN2CC=CC2)c(C)n1 ZINC001232308175 978000246 /nfs/dbraw/zinc/00/02/46/978000246.db2.gz NLBPAVOTYIQRDB-UHFFFAOYSA-N 0 1 218.300 2.161 20 0 BEADMN CCOc1ncc(CN2CC[C@H]2C)cc1C ZINC001232302903 978000525 /nfs/dbraw/zinc/00/05/25/978000525.db2.gz NYFOBTCHTRVLHA-LLVKDONJSA-N 0 1 220.316 2.383 20 0 BEADMN COCc1ccc(CN2CCC[C@H]2C(C)=O)cc1 ZINC001232303210 978001518 /nfs/dbraw/zinc/00/15/18/978001518.db2.gz XGOQOCFDAKKHPK-HNNXBMFYSA-N 0 1 247.338 2.386 20 0 BEADMN Nc1nccc(NC[C@H]2C[C@@H]2C2CCCC2)n1 ZINC001336856158 978003506 /nfs/dbraw/zinc/00/35/06/978003506.db2.gz TWABEAZZEJQUKO-GHMZBOCLSA-N 0 1 232.331 2.297 20 0 BEADMN C[C@@]1(F)CCCCN(Cc2ccc(N)nc2)C1 ZINC001232364458 978039451 /nfs/dbraw/zinc/03/94/51/978039451.db2.gz QTAZANMFRBWJQO-CYBMUJFWSA-N 0 1 237.322 2.378 20 0 BEADMN C[C@@H]1CCCN1Cc1cn2cc(F)ccc2n1 ZINC001232408960 978049637 /nfs/dbraw/zinc/04/96/37/978049637.db2.gz BNAUOBNNDANFOP-SNVBAGLBSA-N 0 1 233.290 2.458 20 0 BEADMN CCN(CC)Cc1cn2cc(F)ccc2n1 ZINC001232409745 978051885 /nfs/dbraw/zinc/05/18/85/978051885.db2.gz QJKMVFXEUDFSGE-UHFFFAOYSA-N 0 1 221.279 2.315 20 0 BEADMN Cc1c(F)cc(CN2C[C@H](C)[C@H](O)C2)cc1F ZINC001232419875 978054062 /nfs/dbraw/zinc/05/40/62/978054062.db2.gz KTEBTTVKDPVYSQ-ISVAXAHUSA-N 0 1 241.281 2.086 20 0 BEADMN Cc1c(F)cc(CN(C)[C@H]2CCOC2)cc1F ZINC001232423600 978056373 /nfs/dbraw/zinc/05/63/73/978056373.db2.gz TVMQVQOBVCYZGI-NSHDSACASA-N 0 1 241.281 2.494 20 0 BEADMN Cc1c(F)cc(CN2CCC[C@@H]2CO)cc1F ZINC001232421169 978059914 /nfs/dbraw/zinc/05/99/14/978059914.db2.gz ZAZKCLQUWSVERQ-LLVKDONJSA-N 0 1 241.281 2.230 20 0 BEADMN F[C@H]1CCCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001232428912 978071927 /nfs/dbraw/zinc/07/19/27/978071927.db2.gz WXBJHYICKKNTEC-JTQLQIEISA-N 0 1 237.322 2.222 20 0 BEADMN c1ccc2c(c1)CN(Cc1n[nH]c3c1CCC3)C2 ZINC001232428927 978073325 /nfs/dbraw/zinc/07/33/25/978073325.db2.gz XSBDTOUTNAEWDB-UHFFFAOYSA-N 0 1 239.322 2.414 20 0 BEADMN Cc1cc([C@H]2CCCN2Cc2cnc(C)[nH]2)no1 ZINC001232457951 978085188 /nfs/dbraw/zinc/08/51/88/978085188.db2.gz AVIJAMMYNMSQJR-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1cc([C@@H]2CCCN2Cc2cnc(C)[nH]2)no1 ZINC001232457956 978086414 /nfs/dbraw/zinc/08/64/14/978086414.db2.gz AVIJAMMYNMSQJR-ZDUSSCGKSA-N 0 1 246.314 2.352 20 0 BEADMN Cc1ncc(CN(C)Cc2cccc(F)c2)[nH]1 ZINC001232459643 978087128 /nfs/dbraw/zinc/08/71/28/978087128.db2.gz GDNFOSXHBSQWQS-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1ncc(CN2CCC(=O)[C@H]3CCCC[C@H]32)[nH]1 ZINC001232458662 978087151 /nfs/dbraw/zinc/08/71/51/978087151.db2.gz PTQDAMWKUVHQHN-QWHCGFSZSA-N 0 1 247.342 2.052 20 0 BEADMN CON(C(=O)c1ccc(Cl)c(O)c1)C(C)C ZINC001595543362 978089320 /nfs/dbraw/zinc/08/93/20/978089320.db2.gz PCOCWLSEIZPIMM-UHFFFAOYSA-N 0 1 243.690 2.458 20 0 BEADMN C[C@@H]1CCC[C@@H](CNc2nccnc2CN)C1 ZINC001336998501 978119060 /nfs/dbraw/zinc/11/90/60/978119060.db2.gz MADZBXQUGMZZAX-GHMZBOCLSA-N 0 1 234.347 2.174 20 0 BEADMN Cc1ncn(-c2cc(O)cc(Cl)c2)c1N ZINC001176623701 978139613 /nfs/dbraw/zinc/13/96/13/978139613.db2.gz AZGHDIYEUUZVJY-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@H]2OCC[C@H]21 ZINC001232488474 978139739 /nfs/dbraw/zinc/13/97/39/978139739.db2.gz CWROBSBDVSQUKQ-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc(F)ccn2)CC1 ZINC001232495027 978146637 /nfs/dbraw/zinc/14/66/37/978146637.db2.gz KZXVTKIEVVVWNC-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CCC[C@H](C)[C@H]1CCCN1c1nccnc1CN ZINC001337074007 978153833 /nfs/dbraw/zinc/15/38/33/978153833.db2.gz SMQDYXDPLVFVRX-WCQYABFASA-N 0 1 248.374 2.340 20 0 BEADMN CO[C@@H]1CCN(Cc2cc(F)ccn2)[C@@H](C)C1 ZINC001232498155 978154026 /nfs/dbraw/zinc/15/40/26/978154026.db2.gz RPLZAZZDFOMACE-GXFFZTMASA-N 0 1 238.306 2.220 20 0 BEADMN Cc1csc([C@H](C)CNc2ccnc(N)n2)n1 ZINC001337118671 978172368 /nfs/dbraw/zinc/17/23/68/978172368.db2.gz NRZVYWZPHUZJRW-SSDOTTSWSA-N 0 1 249.343 2.039 20 0 BEADMN C[C@@]1(O)CCCN(Cc2cc3ccoc3cn2)C1 ZINC001232553399 978175782 /nfs/dbraw/zinc/17/57/82/978175782.db2.gz RDAPFENDECYWPT-CQSZACIVSA-N 0 1 246.310 2.175 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1nc2ccccc2o1 ZINC001232555021 978181797 /nfs/dbraw/zinc/18/17/97/978181797.db2.gz GIKQXCOYQPWVKX-QWRGUYRKSA-N 0 1 246.310 2.173 20 0 BEADMN C[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)CC(C)(C)C1 ZINC001176836865 978207525 /nfs/dbraw/zinc/20/75/25/978207525.db2.gz RBWQWVOBGSFCIJ-QWRGUYRKSA-N 0 1 249.358 2.283 20 0 BEADMN CN(CCCF)Cn1nccc1-c1ccncc1 ZINC001337234889 978229942 /nfs/dbraw/zinc/22/99/42/978229942.db2.gz HIRZCRGODGXTHQ-UHFFFAOYSA-N 0 1 248.305 2.194 20 0 BEADMN Cc1c[nH]nc1CN(C)C[C@]12CCC[C@H]1OCC2 ZINC001176990404 978264351 /nfs/dbraw/zinc/26/43/51/978264351.db2.gz IIINUXFEAMONIY-ZIAGYGMSSA-N 0 1 249.358 2.109 20 0 BEADMN CCCn1cnc(CN2CCC3(CC3)C2)c1 ZINC001232796885 978282223 /nfs/dbraw/zinc/28/22/23/978282223.db2.gz DPXMWLVOEAJPEN-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN CCCn1cnc(CN2CCC[C@H](CF)C2)c1 ZINC001232799163 978294480 /nfs/dbraw/zinc/29/44/80/978294480.db2.gz YLYWNTSEIRPMMB-GFCCVEGCSA-N 0 1 239.338 2.475 20 0 BEADMN COc1cc(O)cc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001232807143 978298653 /nfs/dbraw/zinc/29/86/53/978298653.db2.gz OLBBTADTMKQYFH-RISCZKNCSA-N 0 1 233.311 2.385 20 0 BEADMN CCc1nc(NC(=O)c2c(C)cccc2F)n[nH]1 ZINC001337366814 978309414 /nfs/dbraw/zinc/30/94/14/978309414.db2.gz WQZYVBIZGFIGDX-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2c(C)cccc2F)n1 ZINC001337366814 978309424 /nfs/dbraw/zinc/30/94/24/978309424.db2.gz WQZYVBIZGFIGDX-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN c1nc2ccc(CN3CC4(C3)CCOC4)cc2o1 ZINC001232940208 978350804 /nfs/dbraw/zinc/35/08/04/978350804.db2.gz ZJDUQKVXZQNZPF-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN CN(C)c1ncccc1CNCc1ccsc1 ZINC000067671366 978357726 /nfs/dbraw/zinc/35/77/26/978357726.db2.gz AFIYAGJTYQXXGS-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN COC[C@@H]1CCCN1Cc1cc(F)cnc1C ZINC001232986090 978380607 /nfs/dbraw/zinc/38/06/07/978380607.db2.gz LCJSZBWAVHOLCY-ZDUSSCGKSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1ncc(F)cc1CN(C)[C@H]1CCCOC1 ZINC001232994882 978391931 /nfs/dbraw/zinc/39/19/31/978391931.db2.gz WBBBRHRRQGVPSX-ZDUSSCGKSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cn1 ZINC001233005031 978395362 /nfs/dbraw/zinc/39/53/62/978395362.db2.gz IESXAFUCLSEHSW-UBHSHLNASA-N 0 1 234.318 2.488 20 0 BEADMN CC[NH+](CC)Cc1cc(Cl)ncc1[O-] ZINC001233033464 978419933 /nfs/dbraw/zinc/41/99/33/978419933.db2.gz PDSLHGFEBNUJER-UHFFFAOYSA-N 0 1 214.696 2.282 20 0 BEADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233038595 978422501 /nfs/dbraw/zinc/42/25/01/978422501.db2.gz WKPPEHITZACACJ-SCZZXKLOSA-N 0 1 238.718 2.425 20 0 BEADMN Oc1cccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1F ZINC001233056559 978454751 /nfs/dbraw/zinc/45/47/51/978454751.db2.gz GFXYIPMEPXFCEV-DCAQKATOSA-N 0 1 239.265 2.464 20 0 BEADMN Fc1ccc2c(c1)[nH]nc2CN1CC(F)(F)C1 ZINC001233121690 978467939 /nfs/dbraw/zinc/46/79/39/978467939.db2.gz MXWKOLRACOICTC-UHFFFAOYSA-N 0 1 241.216 2.153 20 0 BEADMN CN(CCF)Cc1n[nH]c2cc(F)ccc21 ZINC001233124040 978473406 /nfs/dbraw/zinc/47/34/06/978473406.db2.gz DJIWVCDVBYKKPI-UHFFFAOYSA-N 0 1 225.242 2.103 20 0 BEADMN Cc1c[nH]c(=O)c(CN2CCC[C@H](F)C2)c1 ZINC001233193382 978489753 /nfs/dbraw/zinc/48/97/53/978489753.db2.gz ZPMKZTCKFZRABV-NSHDSACASA-N 0 1 224.279 2.030 20 0 BEADMN Cc1nc2ccc(NCc3cnc[nH]3)cc2o1 ZINC001178042251 978500440 /nfs/dbraw/zinc/50/04/40/978500440.db2.gz RFYIHMKNRMKYCU-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN CO[C@H](C)C1CN(Cc2ccc(C)c(O)c2)C1 ZINC001233234990 978507535 /nfs/dbraw/zinc/50/75/35/978507535.db2.gz LHNXVRPGHXCLSM-LLVKDONJSA-N 0 1 235.327 2.167 20 0 BEADMN [S-]c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001233259503 978514833 /nfs/dbraw/zinc/51/48/33/978514833.db2.gz VSGZBRAMPCODCP-TXEJJXNPSA-N 0 1 235.352 2.054 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CC[C@@H]1O ZINC001233259624 978518343 /nfs/dbraw/zinc/51/83/43/978518343.db2.gz ZEGRCTMSDLKKAC-MFKMUULPSA-N 0 1 237.368 2.178 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)[C@@H]1CCOC1 ZINC001233261213 978518576 /nfs/dbraw/zinc/51/85/76/978518576.db2.gz HEYFBAITZONYKK-LLVKDONJSA-N 0 1 223.341 2.196 20 0 BEADMN CN1CC2(C1)CC[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233262434 978519178 /nfs/dbraw/zinc/51/91/78/978519178.db2.gz GEPPDBOKDSSVTO-UHFFFAOYSA-N 0 1 248.395 2.113 20 0 BEADMN [S-]c1ccc(C[N@H+]2CCCC23COC3)cc1 ZINC001233261496 978520611 /nfs/dbraw/zinc/52/06/11/978520611.db2.gz RBFOVJXDJOTXQI-UHFFFAOYSA-N 0 1 235.352 2.340 20 0 BEADMN C[N@@H+](Cc1ccc([S-])cc1)Cc1cncnc1 ZINC001233262536 978521894 /nfs/dbraw/zinc/52/18/94/978521894.db2.gz KWHLPYUAJABTPW-UHFFFAOYSA-N 0 1 245.351 2.397 20 0 BEADMN Cc1cc(CN2CC[C@](C)(O)[C@@H](C)C2)sn1 ZINC001233309805 978535145 /nfs/dbraw/zinc/53/51/45/978535145.db2.gz CBUFOUIBSHESRL-CABZTGNLSA-N 0 1 240.372 2.044 20 0 BEADMN CCCO[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC001233311932 978536092 /nfs/dbraw/zinc/53/60/92/978536092.db2.gz PINPZSZMWJFVMW-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCCOC1CCN(Cc2cnc(C)o2)CC1 ZINC001233367164 978580790 /nfs/dbraw/zinc/58/07/90/978580790.db2.gz NZIUGCJLOQXRTF-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1cc(F)cc(NCc2n[nH]c(C(C)C)n2)n1 ZINC001338010175 978588820 /nfs/dbraw/zinc/58/88/20/978588820.db2.gz QTSQIPVQQKVIMY-UHFFFAOYSA-N 0 1 249.293 2.383 20 0 BEADMN CC[C@H](Nc1nccnc1CN)C1CCCC1 ZINC001338009775 978589093 /nfs/dbraw/zinc/58/90/93/978589093.db2.gz KARHKEMOSGXUES-NSHDSACASA-N 0 1 234.347 2.316 20 0 BEADMN NCc1nccnc1NCC[C@H]1CC=CCC1 ZINC001338054530 978598976 /nfs/dbraw/zinc/59/89/76/978598976.db2.gz GQHAJRQXNJFYIH-NSHDSACASA-N 0 1 232.331 2.094 20 0 BEADMN CSc1cnc(NCc2n[nH]c(C)c2C)nc1 ZINC001338077701 978605800 /nfs/dbraw/zinc/60/58/00/978605800.db2.gz CHKCJNYDTVFYIN-UHFFFAOYSA-N 0 1 249.343 2.151 20 0 BEADMN CCC[C@H](C)CCNc1nccnc1CN ZINC001338077708 978606720 /nfs/dbraw/zinc/60/67/20/978606720.db2.gz CHPHHRDGGBQYEO-JTQLQIEISA-N 0 1 222.336 2.174 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]2C)cc1OC ZINC001233491615 978612072 /nfs/dbraw/zinc/61/20/72/978612072.db2.gz VRJQPXHZAGJHHK-JTQLQIEISA-N 0 1 249.310 2.076 20 0 BEADMN CCC[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587663 978635562 /nfs/dbraw/zinc/63/55/62/978635562.db2.gz WMQXKWGBZANXQI-LURJTMIESA-N 0 1 216.668 2.403 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2CCCC[C@H]2F)n[nH]1 ZINC001233588469 978639589 /nfs/dbraw/zinc/63/95/89/978639589.db2.gz DDVWXRDSSXEDII-HTQZYQBOSA-N 0 1 246.669 2.495 20 0 BEADMN Cc1cc(CN2CC(C)(CO)C2)sc1C ZINC001233656361 978665163 /nfs/dbraw/zinc/66/51/63/978665163.db2.gz WHXMQKNHQDXILN-UHFFFAOYSA-N 0 1 225.357 2.179 20 0 BEADMN Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC001600233707 978681531 /nfs/dbraw/zinc/68/15/31/978681531.db2.gz RDTPLNDETLQIMA-GFCCVEGCSA-N 0 1 237.274 2.356 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1 ZINC001600414155 978693041 /nfs/dbraw/zinc/69/30/41/978693041.db2.gz YGJPZNQOCXXWGZ-HIFRSBDPSA-N 0 1 245.322 2.434 20 0 BEADMN Cc1cccc(NCc2ccoc2C(=O)[O-])[nH+]1 ZINC001600542611 978702487 /nfs/dbraw/zinc/70/24/87/978702487.db2.gz SCECXWUBUMXZRD-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1ccc[nH+]c1NCc1ccoc1C(=O)[O-] ZINC001600593016 978704537 /nfs/dbraw/zinc/70/45/37/978704537.db2.gz PIUZROASGWFXQA-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN C[C@@H]1CCCCN1Cc1ccc2c(n1)OCCO2 ZINC001233838548 978709859 /nfs/dbraw/zinc/70/98/59/978709859.db2.gz IAVNYPOBNGYPRV-LLVKDONJSA-N 0 1 248.326 2.227 20 0 BEADMN Cc1[nH+]ccn1CCc1ccccc1C(=O)[O-] ZINC001600756539 978728759 /nfs/dbraw/zinc/72/87/59/978728759.db2.gz HARPUYQGMQECQQ-UHFFFAOYSA-N 0 1 230.267 2.132 20 0 BEADMN Cc1cc(CNc2c[nH]nc2C(F)(F)F)n[nH]1 ZINC001179611591 978734475 /nfs/dbraw/zinc/73/44/75/978734475.db2.gz RELGEXQLCPWQMW-UHFFFAOYSA-N 0 1 245.208 2.072 20 0 BEADMN Cc1ncn(-c2cc(F)cc(F)c2F)c1N ZINC001206388836 978736346 /nfs/dbraw/zinc/73/63/46/978736346.db2.gz GYFXKKVYKAJJQJ-UHFFFAOYSA-N 0 1 227.189 2.180 20 0 BEADMN Cn1cc(C[N@H+]2CCC3(CCC3)C2)cc1C(=O)[O-] ZINC001600951815 978744498 /nfs/dbraw/zinc/74/44/98/978744498.db2.gz PGJIHHBTAXBPKV-UHFFFAOYSA-N 0 1 248.326 2.099 20 0 BEADMN C[N@H+]1CC[C@@H](Oc2ccccc2OC(F)F)C1 ZINC001234021109 978755183 /nfs/dbraw/zinc/75/51/83/978755183.db2.gz ARNCYFUHUAYYIY-SECBINFHSA-N 0 1 243.253 2.371 20 0 BEADMN COc1ccc(N=O)c(O[C@@H]2CC[N@@H+](C)C2)c1 ZINC001234021497 978756477 /nfs/dbraw/zinc/75/64/77/978756477.db2.gz VDFDVAJYFWDJRP-SNVBAGLBSA-N 0 1 236.271 2.176 20 0 BEADMN CO[C@H]1CCC[C@H]1C(=O)NOC1CCCCC1 ZINC001338961736 978762064 /nfs/dbraw/zinc/76/20/64/978762064.db2.gz XERQOCKINKTTEG-NEPJUHHUSA-N 0 1 241.331 2.182 20 0 BEADMN CCCCC(=O)NCCCN(C)C/C=C\Cl ZINC001234052879 978763704 /nfs/dbraw/zinc/76/37/04/978763704.db2.gz OKLBTLHMSANGSQ-YVMONPNESA-N 0 1 246.782 2.367 20 0 BEADMN CCC(=O)c1cc(O)ccc1O[C@@H]1CCN(C)C1 ZINC001234077643 978767044 /nfs/dbraw/zinc/76/70/44/978767044.db2.gz QIWLEMLVBXKLSA-LLVKDONJSA-N 0 1 249.310 2.068 20 0 BEADMN COc1ccc(NCc2cc(C)[nH]n2)c(OC)c1 ZINC001339112087 978795503 /nfs/dbraw/zinc/79/55/03/978795503.db2.gz RCNGTVXFCBPBLJ-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN CC[C@H](C)C[C@@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001339133579 978799718 /nfs/dbraw/zinc/79/97/18/978799718.db2.gz HHFLMOKPTCRTAE-WCBMZHEXSA-N 0 1 242.344 2.122 20 0 BEADMN CNc1ccccc1CN1CCOC2(CCC2)C1 ZINC001180091295 978810083 /nfs/dbraw/zinc/81/00/83/978810083.db2.gz AADBXUWQGOXKNS-UHFFFAOYSA-N 0 1 246.354 2.483 20 0 BEADMN C=C(F)C(=O)Nc1cc2n[nH]c(C)c2c(F)c1 ZINC001180115567 978824169 /nfs/dbraw/zinc/82/41/69/978824169.db2.gz COLXHZKCWBLYDH-UHFFFAOYSA-N 0 1 237.209 2.432 20 0 BEADMN CN1CCC[C@H](Oc2noc3c2CCCC3)C1 ZINC001234453165 978841640 /nfs/dbraw/zinc/84/16/40/978841640.db2.gz UKOLKOKDUGDUKD-JTQLQIEISA-N 0 1 236.315 2.026 20 0 BEADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CC[C@H]2C2CC2)o1 ZINC001601880374 978861335 /nfs/dbraw/zinc/86/13/35/978861335.db2.gz XAAVDYQTXZTYRU-GFUIURDCSA-N 0 1 247.294 2.362 20 0 BEADMN C[C@H](Nc1nccnc1CN)C1CCCCC1 ZINC001339587589 978876543 /nfs/dbraw/zinc/87/65/43/978876543.db2.gz CXNISRZXESKYHB-JTQLQIEISA-N 0 1 234.347 2.316 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001601990865 978878481 /nfs/dbraw/zinc/87/84/81/978878481.db2.gz PABJZXPUQHHBSG-LBPRGKRZSA-N 0 1 243.372 2.070 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC001602060489 978886251 /nfs/dbraw/zinc/88/62/51/978886251.db2.gz BTOAGIWYNQHIFO-CYBMUJFWSA-N 0 1 245.322 2.341 20 0 BEADMN CCC(CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234686143 978897998 /nfs/dbraw/zinc/89/79/98/978897998.db2.gz AFORNRZIZOPHCP-UHFFFAOYSA-N 0 1 224.239 2.059 20 0 BEADMN Fc1nc2nc[nH]c2c(OC(C2CC2)C2CC2)n1 ZINC001234691752 978898545 /nfs/dbraw/zinc/89/85/45/978898545.db2.gz YEEVTGCSIZXROC-UHFFFAOYSA-N 0 1 248.261 2.059 20 0 BEADMN Cc1cc(C)c(NC(=O)[C@H](C)N2CCCC2)cn1 ZINC001180577415 978899214 /nfs/dbraw/zinc/89/92/14/978899214.db2.gz UQJNEGDPTOCKGI-LBPRGKRZSA-N 0 1 247.342 2.121 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H]2C)[nH]1 ZINC001339780807 978912806 /nfs/dbraw/zinc/91/28/06/978912806.db2.gz WFVPVKWHSWJPDY-ZJUUUORDSA-N 0 1 235.331 2.404 20 0 BEADMN c1cc2nc(O[C@@H]3C[NH+]4CCC3CC4)[n-]c2s1 ZINC001234848780 978916087 /nfs/dbraw/zinc/91/60/87/978916087.db2.gz UCHFMLVJSGJJGH-SNVBAGLBSA-N 0 1 249.339 2.097 20 0 BEADMN c1cc2[n-]c(O[C@@H]3C[NH+]4CCC3CC4)nc2s1 ZINC001234848780 978916091 /nfs/dbraw/zinc/91/60/91/978916091.db2.gz UCHFMLVJSGJJGH-SNVBAGLBSA-N 0 1 249.339 2.097 20 0 BEADMN NCc1nccnc1NCC1CCC=CCC1 ZINC001339829090 978921319 /nfs/dbraw/zinc/92/13/19/978921319.db2.gz KMMRVJGNZMXSEO-UHFFFAOYSA-N 0 1 232.331 2.094 20 0 BEADMN CC[C@H](CC(=O)NCCN1CC=CC1)C(C)C ZINC001339911285 978937803 /nfs/dbraw/zinc/93/78/03/978937803.db2.gz ZBORBDISFONMJL-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN Cc1cc2ccc(NC(=O)[C@H](C)N(C)C)cc2[nH]1 ZINC001180863276 978955640 /nfs/dbraw/zinc/95/56/40/978955640.db2.gz YMCMBRGVYXOQDC-JTQLQIEISA-N 0 1 245.326 2.365 20 0 BEADMN OC[C@H]1CCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235244339 979002282 /nfs/dbraw/zinc/00/22/82/979002282.db2.gz DEMLICBERDJRAH-JTQLQIEISA-N 0 1 248.301 2.121 20 0 BEADMN CCc1cccc(CN2CCC(C(C)=O)CC2)n1 ZINC001235260828 979015157 /nfs/dbraw/zinc/01/51/57/979015157.db2.gz ODKVKBSGWUMAGT-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN CCCCN(C)Cc1cc(OC)ncc1F ZINC001235321279 979022998 /nfs/dbraw/zinc/02/29/98/979022998.db2.gz UQUYXIUKGSMZNY-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN Cc1cnc(F)c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001235345175 979032093 /nfs/dbraw/zinc/03/20/93/979032093.db2.gz IBZQJNBUTZCILK-DLOVCJGASA-N 0 1 238.281 2.461 20 0 BEADMN CC1(C)C[C@@H]1C(=O)N(C(=N)N)c1ccccc1F ZINC001181300672 979035387 /nfs/dbraw/zinc/03/53/87/979035387.db2.gz VLONMHBPHQRSDX-MRVPVSSYSA-N 0 1 249.289 2.098 20 0 BEADMN Cc1ncn(C)c1CN1CCC[C@H](C(F)F)C1 ZINC001235551196 979094889 /nfs/dbraw/zinc/09/48/89/979094889.db2.gz CWMVOIGAUGLCCH-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN O=C([O-])c1ccc(C[NH+]2CC3(CC3)C2)cc1F ZINC001602336327 979106681 /nfs/dbraw/zinc/10/66/81/979106681.db2.gz SRGKSUIGBOIESX-UHFFFAOYSA-N 0 1 235.258 2.120 20 0 BEADMN Fc1ccc2nc(CN3CCCCO3)[nH]c2c1 ZINC001235683899 979116350 /nfs/dbraw/zinc/11/63/50/979116350.db2.gz QKHGJRZKQUWGQB-UHFFFAOYSA-N 0 1 235.262 2.229 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001181471341 979117308 /nfs/dbraw/zinc/11/73/08/979117308.db2.gz LSIRTFSIOPVMQH-LURJTMIESA-N 0 1 243.694 2.066 20 0 BEADMN CC(C)[C@@H](C)C(=O)NCc1[nH]nc2ccccc21 ZINC001181501531 979122487 /nfs/dbraw/zinc/12/24/87/979122487.db2.gz MMMFJHBFXHSYAG-SNVBAGLBSA-N 0 1 245.326 2.471 20 0 BEADMN Nc1cccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235986260 979265999 /nfs/dbraw/zinc/26/59/99/979265999.db2.gz QDTPPJQHVCLBJZ-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C1CC1)[C@H]1C=CCCC1 ZINC001602819831 979267136 /nfs/dbraw/zinc/26/71/36/979267136.db2.gz JHWYUNUFCLACLZ-ZJUUUORDSA-N 0 1 209.289 2.033 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CC23CCCCC3)n[nH]1 ZINC001181909252 979366094 /nfs/dbraw/zinc/36/60/94/979366094.db2.gz UFNQAMBZGWZSBF-LBPRGKRZSA-N 0 1 247.342 2.305 20 0 BEADMN OCCCN1CCc2c3ccccc3oc2C1 ZINC001236086193 979374416 /nfs/dbraw/zinc/37/44/16/979374416.db2.gz FCPIOUQJVZQCAF-UHFFFAOYSA-N 0 1 231.295 2.173 20 0 BEADMN FC(F)(F)Cc1ccc2[nH]nnc2c1 ZINC001250030387 979374442 /nfs/dbraw/zinc/37/44/42/979374442.db2.gz HTRAOQWTFCHSIG-UHFFFAOYSA-N 0 1 201.151 2.063 20 0 BEADMN FC(F)(F)Cc1ccc2nn[nH]c2c1 ZINC001250030387 979374447 /nfs/dbraw/zinc/37/44/47/979374447.db2.gz HTRAOQWTFCHSIG-UHFFFAOYSA-N 0 1 201.151 2.063 20 0 BEADMN CCN(Cc1cn(C2CC2)cn1)C[C@H](C)OC ZINC001181932948 979374826 /nfs/dbraw/zinc/37/48/26/979374826.db2.gz KJERNOQPAKAZJQ-NSHDSACASA-N 0 1 237.347 2.075 20 0 BEADMN FC(F)(F)Cc1ccc2cncn2c1 ZINC001250032517 979425533 /nfs/dbraw/zinc/42/55/33/979425533.db2.gz QADAWAZBIHFLNK-UHFFFAOYSA-N 0 1 200.163 2.439 20 0 BEADMN CN[C@@H]1CCN1Cc1ccc(OCC(C)C)cc1 ZINC001236167078 979422039 /nfs/dbraw/zinc/42/20/39/979422039.db2.gz PEXBKLDOWGGMFC-HNNXBMFYSA-N 0 1 248.370 2.473 20 0 BEADMN COc1cccc(NC(=O)c2cn[nH]c2C)c1F ZINC000689968257 979428573 /nfs/dbraw/zinc/42/85/73/979428573.db2.gz WPSHBFZXARTIBS-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN OCCCN1CCC[C@@H]1c1c(F)cccc1F ZINC001236188623 979442415 /nfs/dbraw/zinc/44/24/15/979442415.db2.gz BENQCVOIFGAJOR-GFCCVEGCSA-N 0 1 241.281 2.484 20 0 BEADMN CCc1nnc(CN[C@H]2C[C@@H]3CCC[C@@H]32)s1 ZINC001182152071 979462223 /nfs/dbraw/zinc/46/22/23/979462223.db2.gz IBYPQOHSDYGFOP-GUBZILKMSA-N 0 1 237.372 2.379 20 0 BEADMN COc1cccc(CN2CC[C@]23CCOC3)c1C ZINC001341546221 979462339 /nfs/dbraw/zinc/46/23/39/979462339.db2.gz ICZUHQRWHPUFAA-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC001603500257 979465277 /nfs/dbraw/zinc/46/52/77/979465277.db2.gz COAGIEDZVZKMQJ-GFCCVEGCSA-N 0 1 246.310 2.463 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)=O)cc1 ZINC001603501091 979465709 /nfs/dbraw/zinc/46/57/09/979465709.db2.gz SAHAJFTYRUQNPS-ZDUSSCGKSA-N 0 1 249.310 2.184 20 0 BEADMN CCc1ccc2c(c1)CC[N@H+](CCCC(=O)[O-])C2 ZINC001603975374 979550738 /nfs/dbraw/zinc/55/07/38/979550738.db2.gz JAPAIYUDHPGTLM-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN c1nc2cnc(C3=CCSCC3)cc2[nH]1 ZINC001236362686 979558077 /nfs/dbraw/zinc/55/80/77/979558077.db2.gz QRTVQKVVEJQIRH-UHFFFAOYSA-N 0 1 217.297 2.478 20 0 BEADMN C[N@H+](C/C=C/c1cccc(F)c1)CCC(=O)[O-] ZINC001604126914 979580110 /nfs/dbraw/zinc/58/01/10/979580110.db2.gz NNUBPGGRZOWSRZ-HWKANZROSA-N 0 1 237.274 2.245 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1ccc2c(c1)COC2 ZINC001604167362 979590031 /nfs/dbraw/zinc/59/00/31/979590031.db2.gz KMSHURGNZCFNFL-UHFFFAOYSA-N 0 1 249.310 2.013 20 0 BEADMN C[C@H](c1cccc(O)c1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC001604466745 979657000 /nfs/dbraw/zinc/65/70/00/979657000.db2.gz AXPXVLJRPARVTP-SNVBAGLBSA-N 0 1 249.310 2.250 20 0 BEADMN CCN(CCn1ccnc1)Cc1oc(C)nc1C ZINC001236598428 979673540 /nfs/dbraw/zinc/67/35/40/979673540.db2.gz YQZXXCOONAWJNL-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN Clc1nccnc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC001236608936 979675081 /nfs/dbraw/zinc/67/50/81/979675081.db2.gz GUFNLSSBHMHYRN-AOOOYVTPSA-N 0 1 237.734 2.362 20 0 BEADMN Cc1cc(CNCc2cc(C)ccc2F)[nH]n1 ZINC000716445340 979676494 /nfs/dbraw/zinc/67/64/94/979676494.db2.gz DYKHNWPOSJQQJZ-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN Cc1cc(Cl)cc(CN(C)[C@@H]2CCOC2)n1 ZINC001236642485 979683488 /nfs/dbraw/zinc/68/34/88/979683488.db2.gz GYKCQFSRVHCZMX-GFCCVEGCSA-N 0 1 240.734 2.264 20 0 BEADMN C[N@H+](Cc1ccc(F)c([O-])c1)C1CCOCC1 ZINC001236701300 979697533 /nfs/dbraw/zinc/69/75/33/979697533.db2.gz DWGIZFOQHBDPHH-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN C[N@@H+](Cc1ccc(F)c([O-])c1)C1CCOCC1 ZINC001236701300 979697538 /nfs/dbraw/zinc/69/75/38/979697538.db2.gz DWGIZFOQHBDPHH-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN CCNC(=O)CN(C)Cc1cccc2ccoc21 ZINC001236733445 979711349 /nfs/dbraw/zinc/71/13/49/979711349.db2.gz QOOJKRBOJQQSIT-UHFFFAOYSA-N 0 1 246.310 2.001 20 0 BEADMN CN(C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236722295 979712883 /nfs/dbraw/zinc/71/28/83/979712883.db2.gz QCZIEUVMPNKKLB-UHFFFAOYSA-N 0 1 235.205 2.352 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001604757468 979716664 /nfs/dbraw/zinc/71/66/64/979716664.db2.gz QRMQHKMWIWQYRT-JGVFFNPUSA-N 0 1 240.328 2.072 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C23CCC(CC2)C3)n1 ZINC001342281711 979754411 /nfs/dbraw/zinc/75/44/11/979754411.db2.gz CFUUDRRESAEXJE-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)C23CCC(CC2)C3)n[nH]1 ZINC001342281711 979754415 /nfs/dbraw/zinc/75/44/15/979754415.db2.gz CFUUDRRESAEXJE-UHFFFAOYSA-N 0 1 248.330 2.447 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H](CO)C2)c1Cl ZINC001236851016 979756722 /nfs/dbraw/zinc/75/67/22/979756722.db2.gz BESZJPZKUSJZBI-NSHDSACASA-N 0 1 239.746 2.463 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC001604923169 979768008 /nfs/dbraw/zinc/76/80/08/979768008.db2.gz HKHITDBTAXAIKM-GHMZBOCLSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC001604925413 979770422 /nfs/dbraw/zinc/77/04/22/979770422.db2.gz UHYRWOXTFPVALZ-YIZRAAEISA-N 0 1 235.274 2.073 20 0 BEADMN CC1(CO)CN(Cc2ccc(F)c3ccoc32)C1 ZINC001236889730 979784842 /nfs/dbraw/zinc/78/48/42/979784842.db2.gz FFAHPEZGMJXVOG-UHFFFAOYSA-N 0 1 249.285 2.386 20 0 BEADMN Cn1cccc1C[N@@H+](C)CCc1cccnc1 ZINC001203265945 979789340 /nfs/dbraw/zinc/78/93/40/979789340.db2.gz QPVZLTQTHUNNSE-UHFFFAOYSA-N 0 1 229.327 2.095 20 0 BEADMN CC[C@H]1CC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC001605173476 979829354 /nfs/dbraw/zinc/82/93/54/979829354.db2.gz YVGCLJQJMZSEKZ-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)[nH]2)C1 ZINC001605171079 979829481 /nfs/dbraw/zinc/82/94/81/979829481.db2.gz HXGAQUXWLMRMCP-SNVBAGLBSA-N 0 1 236.315 2.253 20 0 BEADMN Nc1cccc(CN2CCCCC23COC3)c1 ZINC001237222257 979849626 /nfs/dbraw/zinc/84/96/26/979849626.db2.gz YQBADUIRIRQHOW-UHFFFAOYSA-N 0 1 232.327 2.024 20 0 BEADMN Nc1cccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001237218843 979853318 /nfs/dbraw/zinc/85/33/18/979853318.db2.gz LKUGLXVUFQVGNB-WCFLWFBJSA-N 0 1 220.291 2.059 20 0 BEADMN Nc1cccc(CN2CCc3ncccc3C2)c1 ZINC001237221234 979853353 /nfs/dbraw/zinc/85/33/53/979853353.db2.gz IFQRXXQJMUFYIL-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN Oc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001237280654 979859055 /nfs/dbraw/zinc/85/90/55/979859055.db2.gz LTNCYAQHRYIMEG-GAFUQQFSSA-N 0 1 239.265 2.464 20 0 BEADMN Cc1ccnc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001605359619 979859306 /nfs/dbraw/zinc/85/93/06/979859306.db2.gz IZRMFEYVPKCPJH-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN Oc1cc(F)cc(CN2CC3CC(C3)C2)c1 ZINC001237283469 979860425 /nfs/dbraw/zinc/86/04/25/979860425.db2.gz MKTCABKBQGCMEN-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN CC[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001605435964 979872539 /nfs/dbraw/zinc/87/25/39/979872539.db2.gz XAUPXFGJUVGGLY-YUMQZZPRSA-N 0 1 235.274 2.073 20 0 BEADMN CC[N@@H+](C/C=C/c1cccc(F)c1)CC(=O)[O-] ZINC001605436663 979873155 /nfs/dbraw/zinc/87/31/55/979873155.db2.gz CGMWJNYPIURZQY-GQCTYLIASA-N 0 1 237.274 2.245 20 0 BEADMN CC[N@@H+](C[C@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001605435961 979873235 /nfs/dbraw/zinc/87/32/35/979873235.db2.gz XAUPXFGJUVGGLY-JGVFFNPUSA-N 0 1 235.274 2.073 20 0 BEADMN CCN(Cc1cc2ccccn2n1)C1CC1 ZINC001237439956 979891252 /nfs/dbraw/zinc/89/12/52/979891252.db2.gz CSWQPIBAAURDNE-UHFFFAOYSA-N 0 1 215.300 2.319 20 0 BEADMN CC(C)CN(C)Cc1cc2ccccn2n1 ZINC001237440594 979891960 /nfs/dbraw/zinc/89/19/60/979891960.db2.gz GVKUTGIRPSIHPG-UHFFFAOYSA-N 0 1 217.316 2.422 20 0 BEADMN c1c2ccccn2nc1CN1CCC2(CC2)C1 ZINC001237440263 979893120 /nfs/dbraw/zinc/89/31/20/979893120.db2.gz ZYVZHVHPEMKKAC-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN CCN(CC)Cc1cc2ccccn2n1 ZINC001237440926 979893508 /nfs/dbraw/zinc/89/35/08/979893508.db2.gz HRCVZDWARKNRQP-UHFFFAOYSA-N 0 1 203.289 2.176 20 0 BEADMN COc1c(C)cccc1CN1CC2(C1)CCOC2 ZINC001237501105 979922698 /nfs/dbraw/zinc/92/26/98/979922698.db2.gz PDKGAETUEGQOLK-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CC(C)C(N)=NOCc1cn(C)nc1C(F)F ZINC001342916454 979938253 /nfs/dbraw/zinc/93/82/53/979938253.db2.gz UYCUMJNWYJIXNB-UHFFFAOYSA-N 0 1 246.261 2.012 20 0 BEADMN CC(C)(C)C1CCN(Cc2nnc[nH]2)CC1 ZINC001237601631 979959100 /nfs/dbraw/zinc/95/91/00/979959100.db2.gz MHNZSQAZIQWVRY-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC=C(c2ccccn2)C1 ZINC001606171745 979970973 /nfs/dbraw/zinc/97/09/73/979970973.db2.gz BIWFKRQEMSDLQP-UHFFFAOYSA-N 0 1 246.310 2.036 20 0 BEADMN O=C([O-])C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001606229639 979974454 /nfs/dbraw/zinc/97/44/54/979974454.db2.gz YDKFLRFYFMBGAH-BFHYXJOUSA-N 0 1 245.322 2.339 20 0 BEADMN Cc1coc(CN(CCCCCO)C(C)C)n1 ZINC001237638114 979989975 /nfs/dbraw/zinc/98/99/75/979989975.db2.gz CPNYPFLYQFRAKR-UHFFFAOYSA-N 0 1 240.347 2.356 20 0 BEADMN CCc1n[nH]cc1CN1CC2(C1)CCCC2 ZINC001237647707 980000097 /nfs/dbraw/zinc/00/00/97/980000097.db2.gz TVMCELTYVJNVBB-UHFFFAOYSA-N 0 1 219.332 2.348 20 0 BEADMN Cc1cc(CNC(C)(C)/C=C/Cl)[nH]n1 ZINC001343098620 980008127 /nfs/dbraw/zinc/00/81/27/980008127.db2.gz SUEQWDLBCSBJEZ-SNAWJCMRSA-N 0 1 213.712 2.339 20 0 BEADMN CCc1n[nH]cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001237652295 980011133 /nfs/dbraw/zinc/01/11/33/980011133.db2.gz QZNJJJWGTZUMAL-VIFPVBQESA-N 0 1 243.301 2.449 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H](C)C1(C)CC1 ZINC001343170594 980027346 /nfs/dbraw/zinc/02/73/46/980027346.db2.gz CXLWATQWBQTKRH-DGCLKSJQSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1cnc(CN2C[C@H](C)CC23CC3)nc1 ZINC001237807744 980052695 /nfs/dbraw/zinc/05/26/95/980052695.db2.gz PHVNPDGDLSFEQE-SNVBAGLBSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)C[C@@H]2C)nc1 ZINC001237805092 980054741 /nfs/dbraw/zinc/05/47/41/980054741.db2.gz ADLCMRZCBJMOAE-JQWIXIFHSA-N 0 1 219.332 2.405 20 0 BEADMN O=C(NC/C=C/Cl)c1ccc(F)cc1O ZINC001184417254 980080414 /nfs/dbraw/zinc/08/04/14/980080414.db2.gz YTHNREAPRUCVIE-DAFODLJHSA-N 0 1 229.638 2.014 20 0 BEADMN Cc1cccc(C[N@H+](C)Cc2c[nH]ccc2=O)c1 ZINC001237839854 980091352 /nfs/dbraw/zinc/09/13/52/980091352.db2.gz BMLCOIBQFNICGX-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN Cc1cccc(CN(C)Cc2c[nH]ccc2=O)c1 ZINC001237839854 980091361 /nfs/dbraw/zinc/09/13/61/980091361.db2.gz BMLCOIBQFNICGX-UHFFFAOYSA-N 0 1 242.322 2.315 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)Nc2cccnc2CN)C1 ZINC001184514822 980103618 /nfs/dbraw/zinc/10/36/18/980103618.db2.gz FAZANUYBSNUVLO-MNOVXSKESA-N 0 1 247.342 2.305 20 0 BEADMN Cc1[nH]c(C[N@H+](C)CCC(C)C)cc1C(=O)[O-] ZINC001607495448 980113555 /nfs/dbraw/zinc/11/35/55/980113555.db2.gz WHHHIRJQBRFUPO-UHFFFAOYSA-N 0 1 238.331 2.499 20 0 BEADMN Cc1sccc1CN1CC2(CC(O)C2)C1 ZINC001237965019 980116405 /nfs/dbraw/zinc/11/64/05/980116405.db2.gz SBUCITLGYAZLCH-UHFFFAOYSA-N 0 1 223.341 2.013 20 0 BEADMN Cc1cc(C)c(CSCC(=O)[O-])c(C)[nH+]1 ZINC001607619679 980117797 /nfs/dbraw/zinc/11/77/97/980117797.db2.gz AVNHWOQKCPBVDT-UHFFFAOYSA-N 0 1 225.313 2.325 20 0 BEADMN Cc1c([C@H](C)NCc2cccnc2C)cnn1C ZINC001343482644 980124868 /nfs/dbraw/zinc/12/48/68/980124868.db2.gz GJCDWQPIUVWAKM-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cc(CN2CCC[C@](C)(CO)C2)sn1 ZINC001343480688 980125097 /nfs/dbraw/zinc/12/50/97/980125097.db2.gz IMSLOQUCLVNYOB-LBPRGKRZSA-N 0 1 240.372 2.046 20 0 BEADMN Cc1cnc(C[NH2+][C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC001607908353 980135496 /nfs/dbraw/zinc/13/54/96/980135496.db2.gz QLIGYRYUDXNRPC-VIFPVBQESA-N 0 1 242.344 2.040 20 0 BEADMN Cc1cc[nH+]c(NCc2cc(C(=O)[O-])co2)c1 ZINC001607895803 980136358 /nfs/dbraw/zinc/13/63/58/980136358.db2.gz YEBBRZSTTANFCP-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1coc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001607921457 980140062 /nfs/dbraw/zinc/14/00/62/980140062.db2.gz AGDJJLGZYFBJOT-CABZTGNLSA-N 0 1 237.299 2.273 20 0 BEADMN C[C@@H]1CN(Cc2cccc3cncn32)C[C@@H]1F ZINC001238104360 980150341 /nfs/dbraw/zinc/15/03/41/980150341.db2.gz UQSATWWFIAWTOX-MFKMUULPSA-N 0 1 233.290 2.124 20 0 BEADMN C[C@@H]1CCCCN(Cc2c(N)ccnc2F)C1 ZINC001238149050 980171538 /nfs/dbraw/zinc/17/15/38/980171538.db2.gz FYNBNXFWIGRLLQ-SNVBAGLBSA-N 0 1 237.322 2.425 20 0 BEADMN Oc1cc(F)c(CN2CCC2)cc1Cl ZINC001238142223 980172810 /nfs/dbraw/zinc/17/28/10/980172810.db2.gz DKZUUFPAQLILIZ-UHFFFAOYSA-N 0 1 215.655 2.390 20 0 BEADMN CCCN(CC)Cc1c(N)ccnc1F ZINC001238153432 980176223 /nfs/dbraw/zinc/17/62/23/980176223.db2.gz NQKNACYIUNXDHR-UHFFFAOYSA-N 0 1 211.284 2.035 20 0 BEADMN C[C@H]1CN(Cc2c(N)ccnc2F)C2(CC2)C1 ZINC001238158058 980180965 /nfs/dbraw/zinc/18/09/65/980180965.db2.gz AIIDVPGIQGXDEK-SECBINFHSA-N 0 1 235.306 2.177 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)OC1CC(C)C1 ZINC001343667168 980181612 /nfs/dbraw/zinc/18/16/12/980181612.db2.gz CTKDDKCVOIJJRJ-HTAVTVPLSA-N 0 1 225.332 2.201 20 0 BEADMN CC[C@@H]1CCN(Cc2c(N)ccnc2F)C1 ZINC001238158648 980182124 /nfs/dbraw/zinc/18/21/24/980182124.db2.gz XYLJAPOBUUIWHZ-SECBINFHSA-N 0 1 223.295 2.035 20 0 BEADMN Nc1ccnc(F)c1CN1CC2CCC1CC2 ZINC001238159891 980189132 /nfs/dbraw/zinc/18/91/32/980189132.db2.gz LIUXCTHTGQOLBP-UHFFFAOYSA-N 0 1 235.306 2.177 20 0 BEADMN CO[C@H]1CCN(Cc2cncc(C3CC3)c2)C1 ZINC001238182691 980215400 /nfs/dbraw/zinc/21/54/00/980215400.db2.gz VKZQAGOUOUSGHV-AWEZNQCLSA-N 0 1 232.327 2.180 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001608825155 980296665 /nfs/dbraw/zinc/29/66/65/980296665.db2.gz WIBHQMREPSKKQF-OKWIKPQFSA-N 0 1 249.354 2.362 20 0 BEADMN CCOc1cc(CN2CC[C@@H](C)C2)c(F)cn1 ZINC001238724704 980314387 /nfs/dbraw/zinc/31/43/87/980314387.db2.gz LTGUNLGENOVKCP-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@@H](OC(=O)C12CCC(CC1)CC2)c1nnc[nH]1 ZINC001344219109 980359743 /nfs/dbraw/zinc/35/97/43/980359743.db2.gz NMFPCUVHWIBDBR-TTXORMCVSA-N 0 1 249.314 2.379 20 0 BEADMN CN1C[C@@H]2C[C@H]1CN2Cc1sccc1Cl ZINC001205347471 980360797 /nfs/dbraw/zinc/36/07/97/980360797.db2.gz PQZDAWBXIWTHQB-IUCAKERBSA-N 0 1 242.775 2.290 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@H]1CC2CCC1CC2 ZINC000691658838 980376365 /nfs/dbraw/zinc/37/63/65/980376365.db2.gz DHCDESIVKHIDKU-FIYWTHMPSA-N 0 1 237.343 2.362 20 0 BEADMN OCCc1cccc(-c2cccc3[nH]nnc32)c1 ZINC001239028783 980415926 /nfs/dbraw/zinc/41/59/26/980415926.db2.gz CUTSGHMAGIMCGA-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN CC(C)n1ccc(-c2ncnc3c2CNC3)c1 ZINC001239065930 980434897 /nfs/dbraw/zinc/43/48/97/980434897.db2.gz BYVQIXFHUYPHPW-UHFFFAOYSA-N 0 1 228.299 2.129 20 0 BEADMN O=C(NCc1ccc2nc[nH]c2c1)c1ccco1 ZINC000074998427 980446850 /nfs/dbraw/zinc/44/68/50/980446850.db2.gz RIWKNWMDMWRRGN-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN CC(C)(O)C=Cc1cc(N)c(C(F)(F)F)cn1 ZINC001239143407 980460946 /nfs/dbraw/zinc/46/09/46/980460946.db2.gz XXYMJRRGWGYBPG-ONEGZZNKSA-N 0 1 246.232 2.297 20 0 BEADMN COC(=O)c1nc2cc(-c3cnoc3)ccc2[nH]1 ZINC001239176989 980486091 /nfs/dbraw/zinc/48/60/91/980486091.db2.gz DLEZZAKOCMADEY-UHFFFAOYSA-N 0 1 243.222 2.005 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1ccc(C(=O)[O-])cc1F ZINC001239262561 980508060 /nfs/dbraw/zinc/50/80/60/980508060.db2.gz YTFFDAGSILSWMN-UHFFFAOYSA-N 0 1 246.241 2.477 20 0 BEADMN CCCCCCOC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC001239338712 980542776 /nfs/dbraw/zinc/54/27/76/980542776.db2.gz CHYDOLPUXHLKGW-VXGBXAGGSA-N 0 1 242.363 2.386 20 0 BEADMN CNc1ccc(-c2cc3nc[nH]c3cn2)c(F)n1 ZINC001239400727 980559836 /nfs/dbraw/zinc/55/98/36/980559836.db2.gz QMYIYPGNZLKHAE-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@]12C[C@H]1CCC2)N(C)C ZINC001345168123 980575471 /nfs/dbraw/zinc/57/54/71/980575471.db2.gz VENFQWUYVOIVFH-DYEKYZERSA-N 0 1 239.359 2.306 20 0 BEADMN C[C@@H]1CN(C(=S)Nc2ccccc2)C[C@@H](C)N1 ZINC001239460499 980586964 /nfs/dbraw/zinc/58/69/64/980586964.db2.gz KZSRORUGTBGUMH-GHMZBOCLSA-N 0 1 249.383 2.066 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC=C(Cl)Cl ZINC001345372772 980604353 /nfs/dbraw/zinc/60/43/53/980604353.db2.gz UAXMMOIYNTVMFI-UHFFFAOYSA-N 0 1 235.070 2.194 20 0 BEADMN Nc1ccc2c(cnn2-c2ccncc2)c1 ZINC000075944582 980625971 /nfs/dbraw/zinc/62/59/71/980625971.db2.gz LHJDJOLQWXJSQZ-UHFFFAOYSA-N 0 1 210.240 2.003 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C2(CC2)C1 ZINC001188391935 980640648 /nfs/dbraw/zinc/64/06/48/980640648.db2.gz QNGZDLWTVRYSRA-VIFPVBQESA-N 0 1 245.326 2.302 20 0 BEADMN CN(C)Cc1cccc(C2=CCOC2)c1F ZINC001239494515 980652215 /nfs/dbraw/zinc/65/22/15/980652215.db2.gz KANSZVKSKHKDIE-UHFFFAOYSA-N 0 1 221.275 2.301 20 0 BEADMN Cc1ccccc1-c1cc2c(nn1)CNC2 ZINC001239500858 980663692 /nfs/dbraw/zinc/66/36/92/980663692.db2.gz PVPWEVJMUFPDTK-UHFFFAOYSA-N 0 1 211.268 2.055 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H](C)C1CCC1 ZINC001345808570 980690581 /nfs/dbraw/zinc/69/05/81/980690581.db2.gz CYRFUVNZMSQODF-FZMZJTMJSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](Sc1c[nH]nn1)c1ccc(F)nc1 ZINC001188854007 980715296 /nfs/dbraw/zinc/71/52/96/980715296.db2.gz OBXIQGHYGQAEBB-ZCFIWIBFSA-N 0 1 224.264 2.192 20 0 BEADMN Fc1ccccc1-c1nc(F)nc2nc[nH]c21 ZINC001239551462 980728904 /nfs/dbraw/zinc/72/89/04/980728904.db2.gz SNHBXXULBDGQQN-UHFFFAOYSA-N 0 1 232.193 2.250 20 0 BEADMN CCOc1ccc(-c2cc3c(nn2)CNC3)cc1 ZINC001239562972 980745321 /nfs/dbraw/zinc/74/53/21/980745321.db2.gz UBCGWGLRYIAWGW-UHFFFAOYSA-N 0 1 241.294 2.146 20 0 BEADMN Cc1c(Nc2ccc3cncn3c2)cnn1C ZINC001250322788 980768622 /nfs/dbraw/zinc/76/86/22/980768622.db2.gz MBBMTLXYMBQUBU-UHFFFAOYSA-N 0 1 227.271 2.120 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OC[C@H]1CC1(F)F ZINC001346169695 980772738 /nfs/dbraw/zinc/77/27/38/980772738.db2.gz VRWOBTDHEYMEOY-ZJUUUORDSA-N 0 1 247.285 2.058 20 0 BEADMN CS[C@H]1CC[C@@H]([N@@H+](C)CC2(C(=O)[O-])CC2)C1 ZINC001346231618 980792389 /nfs/dbraw/zinc/79/23/89/980792389.db2.gz DRDDFERCGPKSBA-ZJUUUORDSA-N 0 1 243.372 2.067 20 0 BEADMN FC1(F)CO[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC001203284114 980797626 /nfs/dbraw/zinc/79/76/26/980797626.db2.gz RQBJNRBVNRWXCU-NSHDSACASA-N 0 1 243.253 2.280 20 0 BEADMN COc1ncc(-c2nccc3[nH]ccc32)cc1N ZINC001239622733 980813625 /nfs/dbraw/zinc/81/36/25/980813625.db2.gz LCJFRBLEWOMHQV-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CN(C)Cc1ccc(-c2ccoc2)nc1 ZINC001239685984 980841875 /nfs/dbraw/zinc/84/18/75/980841875.db2.gz IPTKTVJKWREUBX-UHFFFAOYSA-N 0 1 202.257 2.403 20 0 BEADMN CN1CCN(c2ccc(-c3ccoc3)cn2)CC1 ZINC001239687932 980845151 /nfs/dbraw/zinc/84/51/51/980845151.db2.gz DMVPOYBKUQIFTO-UHFFFAOYSA-N 0 1 243.310 2.093 20 0 BEADMN Cc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)on1 ZINC001190436493 980874778 /nfs/dbraw/zinc/87/47/78/980874778.db2.gz GSILEMAGRBMIBM-NSHDSACASA-N 0 1 246.314 2.086 20 0 BEADMN COc1ccc(-c2cc(N(C)C)ccn2)cn1 ZINC001239721939 980876199 /nfs/dbraw/zinc/87/61/99/980876199.db2.gz GLHUZOWUTCWDHI-UHFFFAOYSA-N 0 1 229.283 2.218 20 0 BEADMN COc1ccc(-c2cccn3cncc23)cn1 ZINC001239728950 980881478 /nfs/dbraw/zinc/88/14/78/980881478.db2.gz XIWGOWKZVLZTEL-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN NC(=O)c1ccccc1-c1cncc2cc[nH]c21 ZINC001239762446 980902931 /nfs/dbraw/zinc/90/29/31/980902931.db2.gz UOGRCIDRFVMVIZ-UHFFFAOYSA-N 0 1 237.262 2.329 20 0 BEADMN COc1ncc(-c2nc(C)cc3[nH]ccc32)cn1 ZINC001239842534 980980370 /nfs/dbraw/zinc/98/03/70/980980370.db2.gz FMJBJBYLECEVJU-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncccc1-c1cncc2nc[nH]c21 ZINC001239855918 980995967 /nfs/dbraw/zinc/99/59/67/980995967.db2.gz PTDHVOQZEANNGR-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1ncccc1-c1cncc2[nH]cnc21 ZINC001239855918 980995971 /nfs/dbraw/zinc/99/59/71/980995971.db2.gz PTDHVOQZEANNGR-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(CC1CCC1)C(=O)c1cccc(F)c1O ZINC001347227523 981015069 /nfs/dbraw/zinc/01/50/69/981015069.db2.gz TYZLDDKTWPMRRY-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN c1nnc(CSCCc2ccccc2)[nH]1 ZINC001347258915 981024563 /nfs/dbraw/zinc/02/45/63/981024563.db2.gz QOUVDFSWYWTVDQ-UHFFFAOYSA-N 0 1 219.313 2.281 20 0 BEADMN COc1cncc(-c2cncc3[nH]c(C)nc32)c1 ZINC001239932520 981043168 /nfs/dbraw/zinc/04/31/68/981043168.db2.gz UNEHGYKJHRROIC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cncc(-c2c[nH]cc3nc(C)nc2-3)c1 ZINC001239932520 981043170 /nfs/dbraw/zinc/04/31/70/981043170.db2.gz UNEHGYKJHRROIC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cn1cccc1[C@H]1CCCCN1CC1=NOCC1 ZINC001191486389 981043607 /nfs/dbraw/zinc/04/36/07/981043607.db2.gz PTLIHFLWUIGGOU-CQSZACIVSA-N 0 1 247.342 2.328 20 0 BEADMN c1c2c(cc3[nH]c([C@H]4CCOC4)nc13)OCC2 ZINC001250432809 981079645 /nfs/dbraw/zinc/07/96/45/981079645.db2.gz AJVFAWGPPDVTGC-VIFPVBQESA-N 0 1 230.267 2.002 20 0 BEADMN COc1cc2[nH]c(-c3cc[nH]n3)nc2cc1C ZINC001250437844 981092121 /nfs/dbraw/zinc/09/21/21/981092121.db2.gz AUOHDEFEGJJUKD-UHFFFAOYSA-N 0 1 228.255 2.270 20 0 BEADMN Cc1n[nH]c(C)c1-c1ccc2cncn2c1 ZINC001240124753 981119236 /nfs/dbraw/zinc/11/92/36/981119236.db2.gz JZFQDOWAXZFVGI-UHFFFAOYSA-N 0 1 212.256 2.341 20 0 BEADMN Cc1n[nH]c(C)c1-c1ccc(CN(C)C)cn1 ZINC001240124805 981120818 /nfs/dbraw/zinc/12/08/18/981120818.db2.gz FZNIWDXOKPNALL-UHFFFAOYSA-N 0 1 230.315 2.150 20 0 BEADMN Cc1[nH]nc(CNC(=O)C(C)(C)C(C)C)c1C ZINC001347614643 981130302 /nfs/dbraw/zinc/13/03/02/981130302.db2.gz USJXCNSUKZSJSY-UHFFFAOYSA-N 0 1 237.347 2.325 20 0 BEADMN CCCn1cc(-c2cc3[nH]nnc3cc2F)cn1 ZINC001240133751 981136628 /nfs/dbraw/zinc/13/66/28/981136628.db2.gz LKNMGVJBTDGCKC-UHFFFAOYSA-N 0 1 245.261 2.371 20 0 BEADMN Cc1nn(C)c(C)c1-c1cc2[nH]nnc2cc1F ZINC001240145118 981145958 /nfs/dbraw/zinc/14/59/58/981145958.db2.gz HIGSBEGFXWXOHE-UHFFFAOYSA-N 0 1 245.261 2.114 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001595467512 981155803 /nfs/dbraw/zinc/15/58/03/981155803.db2.gz FVRYWTXSOZCLJB-VIFPVBQESA-N 0 1 225.313 2.431 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001595468062 981158576 /nfs/dbraw/zinc/15/85/76/981158576.db2.gz MGLSMWCJTDSLLS-SECBINFHSA-N 0 1 225.313 2.431 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1cc(C)c(C(=O)[O-])o1 ZINC001595468483 981163478 /nfs/dbraw/zinc/16/34/78/981163478.db2.gz WXNMWGKKBQWLNH-SECBINFHSA-N 0 1 223.272 2.271 20 0 BEADMN c1cn2cc(-c3cccc4[nH]nnc43)ccc2n1 ZINC001240218125 981167215 /nfs/dbraw/zinc/16/72/15/981167215.db2.gz BTVRIXXLAWLVRW-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cc(CN2CC3(C2)CCOC3)n(C2CC2)c1 ZINC001347791470 981175668 /nfs/dbraw/zinc/17/56/68/981175668.db2.gz FMUMOZVPENBNEC-UHFFFAOYSA-N 0 1 232.327 2.045 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001240223516 981180377 /nfs/dbraw/zinc/18/03/77/981180377.db2.gz UNJAOJYTCDMPIY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001240223516 981180379 /nfs/dbraw/zinc/18/03/79/981180379.db2.gz UNJAOJYTCDMPIY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN O[C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1c1ncc[nH]1 ZINC001192682269 981181576 /nfs/dbraw/zinc/18/15/76/981181576.db2.gz XKJRVQUQHZFTDP-JHJVBQTASA-N 0 1 249.358 2.098 20 0 BEADMN Cc1cccc2nc(N[C@H](C)c3nnc[nH]3)oc21 ZINC001347828763 981187679 /nfs/dbraw/zinc/18/76/79/981187679.db2.gz ZFFRJVHORIDWCC-MRVPVSSYSA-N 0 1 243.270 2.427 20 0 BEADMN C[C@@H](C(=O)N[C@@H]1C[C@@H](C)c2ccccc21)N(C)C ZINC000078711881 981200755 /nfs/dbraw/zinc/20/07/55/981200755.db2.gz FIRWVYLRQWHWRS-UHIISALHSA-N 0 1 246.354 2.301 20 0 BEADMN CN(C)Cc1cc(-c2cn[nH]c2)ccc1F ZINC001240243304 981220895 /nfs/dbraw/zinc/22/08/95/981220895.db2.gz CWJKFBJVJDYNHI-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN COc1cc(-c2ccc(CN(C)C)cn2)ccn1 ZINC001240255238 981228932 /nfs/dbraw/zinc/22/89/32/981228932.db2.gz DXUXXSLUMVRVBB-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN COc1cc(-c2cccc3cncn32)ccn1 ZINC001240257642 981233165 /nfs/dbraw/zinc/23/31/65/981233165.db2.gz JSOUMNVMUWWRSL-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Nc1ccnc(-c2cccc3n[nH]cc32)c1 ZINC001240309743 981277660 /nfs/dbraw/zinc/27/76/60/981277660.db2.gz VAVSEOBCZOAACL-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Cc1sccc1C(=O)Nc1cccnc1CN ZINC001193386654 981311987 /nfs/dbraw/zinc/31/19/87/981311987.db2.gz RMSYCXZXINQFIS-UHFFFAOYSA-N 0 1 247.323 2.163 20 0 BEADMN CC(C)OC(=O)Nc1ncc(Cl)cc1O ZINC001193453588 981318802 /nfs/dbraw/zinc/31/88/02/981318802.db2.gz NQYLYGNBDZSZGW-UHFFFAOYSA-N 0 1 230.651 2.398 20 0 BEADMN CN1CCc2c(F)cc(-c3cncnc3)cc2C1 ZINC001240378331 981331318 /nfs/dbraw/zinc/33/13/18/981331318.db2.gz FHOFJFZZTNTRNP-UHFFFAOYSA-N 0 1 243.285 2.271 20 0 BEADMN O=C(Nc1ncc(F)cc1O)OC1CCCC1 ZINC001193531291 981356294 /nfs/dbraw/zinc/35/62/94/981356294.db2.gz NANLGRKKULZWGH-UHFFFAOYSA-N 0 1 240.234 2.417 20 0 BEADMN Cc1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001250520296 981360408 /nfs/dbraw/zinc/36/04/08/981360408.db2.gz VDYAMHWPKINALZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cc2cc(-c3ncc4c(n3)CNC4)ccc2o1 ZINC001240421520 981369895 /nfs/dbraw/zinc/36/98/95/981369895.db2.gz HJFAILAITHZXQA-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN CC/C=C(/F)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001348512535 981378369 /nfs/dbraw/zinc/37/83/69/981378369.db2.gz APHQTFCJLGGIOX-IZZDOVSWSA-N 0 1 242.338 2.193 20 0 BEADMN c1cc2ncc(-c3ccc4cncn4c3)cn2n1 ZINC001240429947 981382995 /nfs/dbraw/zinc/38/29/95/981382995.db2.gz XBTSXZJDFWFGGU-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CC[C@@H]1CCN(Cc2nnc(C)s2)[C@@H]1C ZINC001193607016 981399657 /nfs/dbraw/zinc/39/96/57/981399657.db2.gz RVVVTMNZKAIMDR-PSASIEDQSA-N 0 1 225.361 2.467 20 0 BEADMN CC[C@@H]1CN(Cc2cc(C)[nH]n2)C[C@H](CC)O1 ZINC001348634647 981412965 /nfs/dbraw/zinc/41/29/65/981412965.db2.gz VOTFCJNBXWBLEZ-BETUJISGSA-N 0 1 237.347 2.108 20 0 BEADMN c1cn2ccc(-c3nccc4[nH]cnc43)cc2n1 ZINC001240496176 981415345 /nfs/dbraw/zinc/41/53/45/981415345.db2.gz JOZAEWHIYVYLDZ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1cn2ccc(-c3cccc4[nH]nnc43)cc2n1 ZINC001240510273 981434342 /nfs/dbraw/zinc/43/43/42/981434342.db2.gz GLDZNUKRFGSYOC-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H](C2CCCC2)C1 ZINC001348842636 981456712 /nfs/dbraw/zinc/45/67/12/981456712.db2.gz OACZLYZXNDXHPI-GFCCVEGCSA-N 0 1 247.342 2.452 20 0 BEADMN O=C(NCc1ccco1)c1cccc(F)c1O ZINC001349316336 981531376 /nfs/dbraw/zinc/53/13/76/981531376.db2.gz YIVZHADXQLOOPJ-UHFFFAOYSA-N 0 1 235.214 2.054 20 0 BEADMN Cc1ccc(C[NH2+]C[C@@H](F)C(=O)[O-])c(Cl)c1 ZINC001349498018 981565083 /nfs/dbraw/zinc/56/50/83/981565083.db2.gz ITFVPZDWEKYHAW-SNVBAGLBSA-N 0 1 245.681 2.161 20 0 BEADMN Cc1cnc(-c2cnc(C3CC3)nc2)cc1N ZINC001240685118 981590384 /nfs/dbraw/zinc/59/03/84/981590384.db2.gz UWCJNMCHEXHIEL-UHFFFAOYSA-N 0 1 226.283 2.307 20 0 BEADMN COC[C@H]1C[N@@H+](C[C@H](C)CC(C)(C)C)CCO1 ZINC001349648863 981608476 /nfs/dbraw/zinc/60/84/76/981608476.db2.gz PHVANUCAJOWKRU-CHWSQXEVSA-N 0 1 243.391 2.406 20 0 BEADMN COC[C@@H]1C[N@@H+](C[C@H](C)CC(C)(C)C)CCO1 ZINC001349648864 981608559 /nfs/dbraw/zinc/60/85/59/981608559.db2.gz PHVANUCAJOWKRU-OLZOCXBDSA-N 0 1 243.391 2.406 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001594770136 981735794 /nfs/dbraw/zinc/73/57/94/981735794.db2.gz MULNJVGNYBQTDA-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN CCO[C@H](C)n1cc(-c2cc(N)c(C)cn2)cn1 ZINC001240752580 981805032 /nfs/dbraw/zinc/80/50/32/981805032.db2.gz JBYKAQVPVKEDEG-SNVBAGLBSA-N 0 1 246.314 2.391 20 0 BEADMN Cc1c(N)cc[nH+]c1-c1ccc([O-])c(F)c1 ZINC001240782230 981819963 /nfs/dbraw/zinc/81/99/63/981819963.db2.gz VGCYPVLXOFNMSA-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN O=C(NCCC1CCC1)c1cccc(F)c1O ZINC001583719570 981834013 /nfs/dbraw/zinc/83/40/13/981834013.db2.gz DETZKDZUAALBNS-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN C=Cc1ccc2[nH]c(C(=O)OCC)cc2n1 ZINC001240827166 981867630 /nfs/dbraw/zinc/86/76/30/981867630.db2.gz QZXBDGCQTYXBQO-UHFFFAOYSA-N 0 1 216.240 2.383 20 0 BEADMN CC[C@@H](C)COC(=O)N1CCN(C)C(C)(C)C1 ZINC001194794209 981882685 /nfs/dbraw/zinc/88/26/85/981882685.db2.gz VRYMBFIWGZNMGK-LLVKDONJSA-N 0 1 242.363 2.195 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001594805010 981903903 /nfs/dbraw/zinc/90/39/03/981903903.db2.gz OXLNDXSMAXARNX-JTQLQIEISA-N 0 1 241.331 2.254 20 0 BEADMN COc1ccc(-c2cc3c(nn2)CNC3)cc1C ZINC001240863589 981907424 /nfs/dbraw/zinc/90/74/24/981907424.db2.gz MVEOPZXGYONCJI-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CN(CC(F)F)C(=O)c1ccc(Cl)c(O)c1 ZINC001585338906 981921200 /nfs/dbraw/zinc/92/12/00/981921200.db2.gz ILQKKTQXBSEPEF-UHFFFAOYSA-N 0 1 249.644 2.383 20 0 BEADMN CCCC[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)[O-] ZINC001595637248 981928364 /nfs/dbraw/zinc/92/83/64/981928364.db2.gz AKFAZTWINOSXPT-DTWKUNHWSA-N 0 1 242.344 2.437 20 0 BEADMN CCCC[C@H]([NH2+][C@H](C)c1cscn1)C(=O)[O-] ZINC001595637247 981928393 /nfs/dbraw/zinc/92/83/93/981928393.db2.gz AKFAZTWINOSXPT-BDAKNGLRSA-N 0 1 242.344 2.437 20 0 BEADMN C[C@@H](c1cccs1)N(C)Cc1nnc[nH]1 ZINC001350359089 981943960 /nfs/dbraw/zinc/94/39/60/981943960.db2.gz PTVSPYXWVSEZKA-QMMMGPOBSA-N 0 1 222.317 2.059 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CC[C@@H](C)C2)c1C ZINC001350388886 981957731 /nfs/dbraw/zinc/95/77/31/981957731.db2.gz PUHOUCHWCQLTHP-KCJUWKMLSA-N 0 1 235.331 2.079 20 0 BEADMN CC(C)c1ccc([S@@](=O)Cc2nc[nH]n2)cc1 ZINC001350427732 981970224 /nfs/dbraw/zinc/97/02/24/981970224.db2.gz AYMJWUWUUHEWFJ-KRWDZBQOSA-N 0 1 249.339 2.236 20 0 BEADMN c1ncn2c1cccc2-c1cnn2cccnc12 ZINC001240935305 982007208 /nfs/dbraw/zinc/00/72/08/982007208.db2.gz RDYHTBWJCWLTKT-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Cc1cnccc1C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC001350612694 982023199 /nfs/dbraw/zinc/02/31/99/982023199.db2.gz RCTIEDURXNILBX-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN CCCN(CCC)C(=O)CCN1CC[C@@H](F)C1 ZINC001586998023 982038097 /nfs/dbraw/zinc/03/80/97/982038097.db2.gz QPFBSCMMVQCAII-GFCCVEGCSA-N 0 1 244.354 2.069 20 0 BEADMN CCCCN1CCN(C(=O)O[C@@H](C)CC)CC1 ZINC001195103883 982042032 /nfs/dbraw/zinc/04/20/32/982042032.db2.gz GLHKLBJKRHJGFN-LBPRGKRZSA-N 0 1 242.363 2.339 20 0 BEADMN CC[C@H](C)OC(=O)N1CCN(C(C)(C)C)CC1 ZINC001195104267 982042875 /nfs/dbraw/zinc/04/28/75/982042875.db2.gz JXYCCOVZSYOGCV-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN CCCC[C@@H](SC[C@@H]1CCC[N@H+]1C)C(=O)[O-] ZINC001595654977 982042968 /nfs/dbraw/zinc/04/29/68/982042968.db2.gz GUHVEXSPXZALSV-WDEREUQCSA-N 0 1 245.388 2.457 20 0 BEADMN CCOc1cnc(-c2ccccc2O)nc1 ZINC001241001715 982086278 /nfs/dbraw/zinc/08/62/78/982086278.db2.gz GHHREOLFKWBXEU-UHFFFAOYSA-N 0 1 216.240 2.248 20 0 BEADMN CC(=O)Nc1cnc(-c2ccccc2O)nc1C ZINC001241008169 982093975 /nfs/dbraw/zinc/09/39/75/982093975.db2.gz MMQWAISTODAAPY-UHFFFAOYSA-N 0 1 243.266 2.116 20 0 BEADMN Oc1ccccc1-c1cc2[nH]nnc2cc1F ZINC001241015203 982109429 /nfs/dbraw/zinc/10/94/29/982109429.db2.gz YMUJXFICNNYLTA-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN COc1c(C)cc(-c2cnc(CN)nc2)cc1C ZINC001241016180 982113571 /nfs/dbraw/zinc/11/35/71/982113571.db2.gz CVWKBBRXQWDOAJ-UHFFFAOYSA-N 0 1 243.310 2.228 20 0 BEADMN Cc1ccc(-c2nnc(C)c(C)n2)c(O)c1 ZINC001241035780 982138704 /nfs/dbraw/zinc/13/87/04/982138704.db2.gz HLPFGGGGXJLKMM-UHFFFAOYSA-N 0 1 215.256 2.169 20 0 BEADMN Nc1ccccc1-c1[nH]ccc2ncnc1-2 ZINC001241050863 982154235 /nfs/dbraw/zinc/15/42/35/982154235.db2.gz OXMXXRZVLZDEDH-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1ccccc1-c1nccc2[nH]cnc21 ZINC001241050863 982154240 /nfs/dbraw/zinc/15/42/40/982154240.db2.gz OXMXXRZVLZDEDH-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+](C)Cc1ccns1 ZINC001594874757 982204342 /nfs/dbraw/zinc/20/43/42/982204342.db2.gz DTGSLGXXVDLJGL-SCZZXKLOSA-N 0 1 242.344 2.074 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccns1 ZINC001594874757 982204349 /nfs/dbraw/zinc/20/43/49/982204349.db2.gz DTGSLGXXVDLJGL-SCZZXKLOSA-N 0 1 242.344 2.074 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)C ZINC001594878883 982226648 /nfs/dbraw/zinc/22/66/48/982226648.db2.gz YQZLEOMTIVPICT-ZJUUUORDSA-N 0 1 215.337 2.464 20 0 BEADMN COc1ccnc(-c2c(F)cc(O)cc2F)n1 ZINC001241117641 982236370 /nfs/dbraw/zinc/23/63/70/982236370.db2.gz TVLGZOKVVSXQDB-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cc1nc2ncc(-c3ccc[nH]c3=O)c(C)c2[nH]1 ZINC001241127525 982256813 /nfs/dbraw/zinc/25/68/13/982256813.db2.gz GLUVFBHGGHMLPF-UHFFFAOYSA-N 0 1 240.266 2.342 20 0 BEADMN OCc1ccc(F)c(-c2nccc3[nH]cnc32)c1 ZINC001241148851 982279720 /nfs/dbraw/zinc/27/97/20/982279720.db2.gz WHYQMXMSXRLHDV-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1cc(N(C)C)ncc1-c1cc(N)ccn1 ZINC001241227689 982376689 /nfs/dbraw/zinc/37/66/89/982376689.db2.gz APTDZDUASXVTFB-UHFFFAOYSA-N 0 1 228.299 2.100 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241247704 982389230 /nfs/dbraw/zinc/38/92/30/982389230.db2.gz XQSNKQQRCZCJKA-UHFFFAOYSA-N 0 1 246.241 2.477 20 0 BEADMN CC[C@@H](NC[C@H](O)C(F)(F)F)c1cccnc1 ZINC001250990769 982433632 /nfs/dbraw/zinc/43/36/32/982433632.db2.gz AJUFCXOXPQQXMW-ZJUUUORDSA-N 0 1 248.248 2.046 20 0 BEADMN Cc1cc(NC2CC2)nc(C2=CCN(C)CC2)n1 ZINC001241307275 982442861 /nfs/dbraw/zinc/44/28/61/982442861.db2.gz AUIQBSKTTTYZFM-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CCCNc1cc(C)nc(C2=CCN(C)CC2)n1 ZINC001241307678 982444049 /nfs/dbraw/zinc/44/40/49/982444049.db2.gz KEOKTASPXOABRK-UHFFFAOYSA-N 0 1 246.358 2.326 20 0 BEADMN CC[C@H](C)c1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001352081168 982456099 /nfs/dbraw/zinc/45/60/99/982456099.db2.gz KSUIBRPKQXELSB-JTQLQIEISA-N 0 1 231.299 2.216 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(Cc2ccncc2)[nH]1 ZINC001352081171 982456257 /nfs/dbraw/zinc/45/62/57/982456257.db2.gz KSUIBRPKQXELSB-SNVBAGLBSA-N 0 1 231.299 2.216 20 0 BEADMN C[C@H]1CCN1C(=O)c1cc(Cl)c(F)cc1O ZINC001196458628 982457844 /nfs/dbraw/zinc/45/78/44/982457844.db2.gz IXCRWZOQFYQZGW-LURJTMIESA-N 0 1 243.665 2.419 20 0 BEADMN CSc1cccc(-c2ncnc3c2CNC3)c1 ZINC001241313433 982461425 /nfs/dbraw/zinc/46/14/25/982461425.db2.gz GQKKIEKBGMEAJY-UHFFFAOYSA-N 0 1 243.335 2.469 20 0 BEADMN CCOc1cccnc1C1=CCN(C)CC1 ZINC001241318102 982473620 /nfs/dbraw/zinc/47/36/20/982473620.db2.gz XSKWNRVPMHBKJX-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN COC(=O)c1ccc(C2=CCN(C)CC2)c(F)c1 ZINC001241317421 982477819 /nfs/dbraw/zinc/47/78/19/982477819.db2.gz OIXRZSUGRPPVHT-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN COc1nccc(C)c1C1=CCN(C)CC1 ZINC001241328079 982488480 /nfs/dbraw/zinc/48/84/80/982488480.db2.gz WRPBIUQQFYTHCS-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CC=C(c2cncnc2C(C)(C)C)CC1 ZINC001241330263 982492824 /nfs/dbraw/zinc/49/28/24/982492824.db2.gz NDYWYYGQJGYLML-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN COc1cccc(OC)c1C1=CCN(C)CC1 ZINC001241330465 982493104 /nfs/dbraw/zinc/49/31/04/982493104.db2.gz SEJWYENUECDJBD-UHFFFAOYSA-N 0 1 233.311 2.423 20 0 BEADMN COc1cnc(-c2nc3ccc(C)cc3[nH]2)cn1 ZINC001251054939 982497911 /nfs/dbraw/zinc/49/79/11/982497911.db2.gz YCDAESNUDWXMGT-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(C)cc1-c1nccc2[nH]cnc21 ZINC001241361851 982517743 /nfs/dbraw/zinc/51/77/43/982517743.db2.gz ITZRKUIRMAOCFH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(C)cc1-c1cccc2[nH]nnc21 ZINC001241364847 982524355 /nfs/dbraw/zinc/52/43/55/982524355.db2.gz QZXGQLCNJFIYRV-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CN(C)c1ccc(-c2cccc3[nH]nnc32)cn1 ZINC001241371743 982534426 /nfs/dbraw/zinc/53/44/26/982534426.db2.gz PEIANCJPFBFUGU-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1ncc(-c2cncc3nc(C)[nH]c32)s1 ZINC001241414741 982563415 /nfs/dbraw/zinc/56/34/15/982563415.db2.gz GYRUZPKYIRCMQP-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN Cc1cc(CNC(C)(C)CF)sn1 ZINC001352863353 982606598 /nfs/dbraw/zinc/60/65/98/982606598.db2.gz RYTUDJNFDCEYIM-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H]1NCc1csnn1 ZINC001352879719 982617818 /nfs/dbraw/zinc/61/78/18/982617818.db2.gz ZHEKEOIWXBWOGX-QWRGUYRKSA-N 0 1 225.361 2.452 20 0 BEADMN OCc1ccc(CNc2ccc3c[nH]nc3c2)o1 ZINC000081555195 982668893 /nfs/dbraw/zinc/66/88/93/982668893.db2.gz ATGAXYDTUMSFTE-UHFFFAOYSA-N 0 1 243.266 2.260 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[Si](C)(C)C ZINC001589308575 982705560 /nfs/dbraw/zinc/70/55/60/982705560.db2.gz VPDMMHUQRFBGPP-NXEZZACHSA-N 0 1 229.396 2.049 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001594960543 982710532 /nfs/dbraw/zinc/71/05/32/982710532.db2.gz HRDOWJDXZWUVCH-BDAKNGLRSA-N 0 1 240.303 2.412 20 0 BEADMN CC[C@@H](C)C[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001594964206 982717545 /nfs/dbraw/zinc/71/75/45/982717545.db2.gz GTKSFJOLGHEFAS-SCVCMEIPSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)NCc1cc(N)ccn1 ZINC001353160890 982738927 /nfs/dbraw/zinc/73/89/27/982738927.db2.gz FVTZKWDMVRALQI-LLVKDONJSA-N 0 1 249.358 2.352 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])C[Si](C)(C)C ZINC001594979715 982771432 /nfs/dbraw/zinc/77/14/32/982771432.db2.gz ZRCGXVAVFKXZFJ-VIFPVBQESA-N 0 1 217.385 2.049 20 0 BEADMN OCc1ccc(-c2[nH]ccc3ncnc2-3)cc1 ZINC001241553708 982772811 /nfs/dbraw/zinc/77/28/11/982772811.db2.gz FLZMSYZEYYXGPG-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1ccc(-c2nccc3[nH]cnc32)cc1 ZINC001241553708 982772828 /nfs/dbraw/zinc/77/28/28/982772828.db2.gz FLZMSYZEYYXGPG-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241558023 982783494 /nfs/dbraw/zinc/78/34/94/982783494.db2.gz GXVGRKQMNVPDDQ-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001241558023 982783507 /nfs/dbraw/zinc/78/35/07/982783507.db2.gz GXVGRKQMNVPDDQ-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC001589445514 982799808 /nfs/dbraw/zinc/79/98/08/982799808.db2.gz QWRWOGUVGQNQKK-QWHCGFSZSA-N 0 1 248.326 2.124 20 0 BEADMN CC(C)Nc1ccnc(C2=CCCN(C)C2)n1 ZINC001241565003 982805169 /nfs/dbraw/zinc/80/51/69/982805169.db2.gz FLGDPNVHDFJHKN-UHFFFAOYSA-N 0 1 232.331 2.016 20 0 BEADMN Cc1nc2ncc(C3=CCCN(C)C3)nc2s1 ZINC001241565711 982805323 /nfs/dbraw/zinc/80/53/23/982805323.db2.gz OMLKGJRWTFLEIG-UHFFFAOYSA-N 0 1 246.339 2.114 20 0 BEADMN CN1CCC=C(c2cnc3cc(F)ccc3n2)C1 ZINC001241565343 982806597 /nfs/dbraw/zinc/80/65/97/982806597.db2.gz JCARSPJMEAFVES-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN1CCC=C(c2ccc(OC(C)(C)C)nn2)C1 ZINC001241565717 982806786 /nfs/dbraw/zinc/80/67/86/982806786.db2.gz MPESPWFPZHWULI-UHFFFAOYSA-N 0 1 247.342 2.373 20 0 BEADMN CN1CCC=C(c2ccc(OC(F)F)cn2)C1 ZINC001241565157 982807590 /nfs/dbraw/zinc/80/75/90/982807590.db2.gz FPKZBYPOOVPTHJ-UHFFFAOYSA-N 0 1 240.253 2.402 20 0 BEADMN CCOc1ccnc(C2=CCCN(C)C2)c1 ZINC001241566287 982808833 /nfs/dbraw/zinc/80/88/33/982808833.db2.gz WNUZCMMQXHDJCN-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN Cc1cc(C2=CCCN(C)C2)nc(C2CC2)n1 ZINC001241567719 982812136 /nfs/dbraw/zinc/81/21/36/982812136.db2.gz GKFXLUOXSBXPKC-UHFFFAOYSA-N 0 1 229.327 2.381 20 0 BEADMN Cc1ccc2c(ncnc2C2=CCCN(C)C2)n1 ZINC001241567238 982812675 /nfs/dbraw/zinc/81/26/75/982812675.db2.gz RPQQTVSOERNCEE-UHFFFAOYSA-N 0 1 240.310 2.052 20 0 BEADMN CN1CCC=C(c2ccc3ncsc3n2)C1 ZINC001241567079 982812764 /nfs/dbraw/zinc/81/27/64/982812764.db2.gz JGOIMSGRTKLTEH-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN CCNC(=O)c1ccccc1C1=CCCN(C)C1 ZINC001241569725 982817696 /nfs/dbraw/zinc/81/76/96/982817696.db2.gz NMWZUQGRLXWQSJ-UHFFFAOYSA-N 0 1 244.338 2.155 20 0 BEADMN CN1CCC=C(c2cnc(C(C)(C)C)nc2)C1 ZINC001241570910 982823759 /nfs/dbraw/zinc/82/37/59/982823759.db2.gz QDHUWWCYFUJFES-UHFFFAOYSA-N 0 1 231.343 2.493 20 0 BEADMN CC(=O)Nc1ncc(C)cc1C1=CCCN(C)C1 ZINC001241572396 982827076 /nfs/dbraw/zinc/82/70/76/982827076.db2.gz ZGOREPDINCKZMI-UHFFFAOYSA-N 0 1 245.326 2.067 20 0 BEADMN Cc1conc1CNC1([C@H]2CCCO2)CCC1 ZINC001198719613 982827731 /nfs/dbraw/zinc/82/77/31/982827731.db2.gz PNAATXHGSSRMGA-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN CC/C=C\CC[N@H+](CC(=O)[O-])CC1CC1 ZINC001589627616 982850389 /nfs/dbraw/zinc/85/03/89/982850389.db2.gz XBPQUUWQILDSGC-ARJAWSKDSA-N 0 1 211.305 2.139 20 0 BEADMN Cc1[nH]nc2ccc(-c3ccnnc3)cc21 ZINC001241668910 982908257 /nfs/dbraw/zinc/90/82/57/982908257.db2.gz LDSRCRRSIYXCCZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1[nH]nc2ccc(-c3cn(C)cn3)cc12 ZINC001241669649 982908379 /nfs/dbraw/zinc/90/83/79/982908379.db2.gz UTCANFSTNILLSO-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COc1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001241680739 982927736 /nfs/dbraw/zinc/92/77/36/982927736.db2.gz MVPNKOJBPJPDHO-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1cncnc1-c1ccc2[nH]cnc2c1 ZINC001241680230 982930817 /nfs/dbraw/zinc/93/08/17/982930817.db2.gz IJMVIGKWTRKSMV-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCOc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241685825 982934178 /nfs/dbraw/zinc/93/41/78/982934178.db2.gz RHJNPUJWSJKQHX-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN COc1cnc(-c2ccc3[nH]cnc3c2)cn1 ZINC001241685797 982935918 /nfs/dbraw/zinc/93/59/18/982935918.db2.gz QSEOCSKBYGGRPV-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Nc1cc(-c2ccc3nc[nH]c3c2)ncc1F ZINC001241688183 982942768 /nfs/dbraw/zinc/94/27/68/982942768.db2.gz LKEPUXZIKKVGQU-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN Cc1nnc(-c2ccc3[nH]cnc3c2)nc1C ZINC001241691322 982947983 /nfs/dbraw/zinc/94/79/83/982947983.db2.gz LVQVMGTUPGTESS-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN COc1ncncc1-c1ccc2[nH]cnc2c1 ZINC001241697866 982953155 /nfs/dbraw/zinc/95/31/55/982953155.db2.gz NFGNNELNSWWDNN-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1cc(-c2ccc3nc[nH]c3c2)cc(=O)o1 ZINC001241698209 982957714 /nfs/dbraw/zinc/95/77/14/982957714.db2.gz YPCKFHIAMUFMQF-UHFFFAOYSA-N 0 1 226.235 2.492 20 0 BEADMN c1cn2ccnc(-c3ccc4[nH]cnc4c3)c2n1 ZINC001241698031 982957847 /nfs/dbraw/zinc/95/78/47/982957847.db2.gz SGOXKXARKBICFM-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN O=C(NCc1[nH]nc2ccccc21)C1=CC=CC1 ZINC001199695203 983003683 /nfs/dbraw/zinc/00/36/83/983003683.db2.gz IHQNSUUHMDQXTE-UHFFFAOYSA-N 0 1 239.278 2.065 20 0 BEADMN CCCOc1ccc(-c2cnc(CN)nc2)cc1 ZINC001241748342 983030613 /nfs/dbraw/zinc/03/06/13/983030613.db2.gz UEFVQRVRJJEFTP-UHFFFAOYSA-N 0 1 243.310 2.391 20 0 BEADMN C[C@H](O)CN1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001251964867 983045836 /nfs/dbraw/zinc/04/58/36/983045836.db2.gz QOZPOBCPJHMSGP-TVQRCGJNSA-N 0 1 241.281 2.483 20 0 BEADMN OCc1cc(-c2cccc3[nH]nnc32)ccc1F ZINC001241789328 983051200 /nfs/dbraw/zinc/05/12/00/983051200.db2.gz GZFIEHXRRYQZOT-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2ncccc12 ZINC001353896279 983058537 /nfs/dbraw/zinc/05/85/37/983058537.db2.gz DBPOXWZJFZTVOU-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN Fc1ccc(-c2cncc3nc[nH]c32)nc1 ZINC001241807267 983061629 /nfs/dbraw/zinc/06/16/29/983061629.db2.gz ITGLZJDKGFCPMQ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1ccc(-c2cncc3[nH]cnc32)nc1 ZINC001241807267 983061634 /nfs/dbraw/zinc/06/16/34/983061634.db2.gz ITGLZJDKGFCPMQ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]1C(C)(C)C ZINC001353979576 983108678 /nfs/dbraw/zinc/10/86/78/983108678.db2.gz VPEATUXGFXNESD-JQWIXIFHSA-N 0 1 249.358 2.235 20 0 BEADMN c1nc2c(ccnc2-c2cnn(C3CC3)c2)[nH]1 ZINC001241904396 983117975 /nfs/dbraw/zinc/11/79/75/983117975.db2.gz URHHGXHZJFBJDX-UHFFFAOYSA-N 0 1 225.255 2.156 20 0 BEADMN Cc1ncnc(-c2ccc3[nH]nnc3c2)c1C ZINC001241937979 983149131 /nfs/dbraw/zinc/14/91/31/983149131.db2.gz GZUVSAOSUJJFGW-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN Cc1ncnc(-c2ccc3nn[nH]c3c2)c1C ZINC001241937979 983149139 /nfs/dbraw/zinc/14/91/39/983149139.db2.gz GZUVSAOSUJJFGW-UHFFFAOYSA-N 0 1 225.255 2.032 20 0 BEADMN CCOc1cccc(-c2ccc3nn[nH]c3c2)n1 ZINC001241938625 983150055 /nfs/dbraw/zinc/15/00/55/983150055.db2.gz SGZPFLGLPQZHGR-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241938625 983150059 /nfs/dbraw/zinc/15/00/59/983150059.db2.gz SGZPFLGLPQZHGR-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CN(C)c1cc(-c2ccc3[nH]nnc3c2)ccn1 ZINC001241940955 983155705 /nfs/dbraw/zinc/15/57/05/983155705.db2.gz UHXLUBYLLMWFFC-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1cc(-c2ccc3nn[nH]c3c2)ccn1 ZINC001241940955 983155710 /nfs/dbraw/zinc/15/57/10/983155710.db2.gz UHXLUBYLLMWFFC-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1cnc(F)cc1-c1ccc2[nH]nnc2c1 ZINC001241941976 983159039 /nfs/dbraw/zinc/15/90/39/983159039.db2.gz LELUXKWGUJRZKN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cnc(F)cc1-c1ccc2nn[nH]c2c1 ZINC001241941976 983159046 /nfs/dbraw/zinc/15/90/46/983159046.db2.gz LELUXKWGUJRZKN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CSc1cnc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241942586 983160935 /nfs/dbraw/zinc/16/09/35/983160935.db2.gz WOUINNJKUAUPJW-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN COc1nccc(C)c1-c1ccc2nn[nH]c2c1 ZINC001241942640 983163707 /nfs/dbraw/zinc/16/37/07/983163707.db2.gz YABBQGUBSQAFNN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(C)c1-c1ccc2[nH]nnc2c1 ZINC001241942640 983163715 /nfs/dbraw/zinc/16/37/15/983163715.db2.gz YABBQGUBSQAFNN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC(=O)N1CC=C(c2cc3[nH]ccc3cn2)CC1 ZINC001241965085 983173310 /nfs/dbraw/zinc/17/33/10/983173310.db2.gz OHWKPLIXWZWJSL-UHFFFAOYSA-N 0 1 241.294 2.199 20 0 BEADMN CC(=O)N1CC=C(c2nccc3[nH]ccc32)CC1 ZINC001241967335 983175369 /nfs/dbraw/zinc/17/53/69/983175369.db2.gz URQMEPFCLLJCAC-UHFFFAOYSA-N 0 1 241.294 2.199 20 0 BEADMN CCOC(=O)[C@]12C[C@H]1CCN2CC(C)(C)C ZINC001201432791 983217975 /nfs/dbraw/zinc/21/79/75/983217975.db2.gz LGIYYCWPRJLDHH-MFKMUULPSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1(C)CC1 ZINC001592950588 983222038 /nfs/dbraw/zinc/22/20/38/983222038.db2.gz IWISFEIZEBDQMD-CIUDSAMLSA-N 0 1 247.285 2.073 20 0 BEADMN NCc1nccnc1NCC1CCC2(CC2)CC1 ZINC001354249272 983224416 /nfs/dbraw/zinc/22/44/16/983224416.db2.gz YKAUZINFWRKPSS-UHFFFAOYSA-N 0 1 246.358 2.318 20 0 BEADMN Cc1noc(N[C@@H]2c3ccccc3OC[C@@H]2F)n1 ZINC001354267046 983237707 /nfs/dbraw/zinc/23/77/07/983237707.db2.gz FCAJPCLILIRWHD-GXSJLCMTSA-N 0 1 249.245 2.262 20 0 BEADMN Cc1nc2ccc(-c3ccnnc3)cc2[nH]1 ZINC001242051315 983255604 /nfs/dbraw/zinc/25/56/04/983255604.db2.gz DVRATBYUGQLKJQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccncc1-c1nccc2[nH]cnc21 ZINC001242053722 983258354 /nfs/dbraw/zinc/25/83/54/983258354.db2.gz GZGXAAAXFJAVNW-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCc2onc(COC)c2C1 ZINC001201501728 983273013 /nfs/dbraw/zinc/27/30/13/983273013.db2.gz AMKUCYQGLRQLSD-SNVBAGLBSA-N 0 1 238.331 2.225 20 0 BEADMN CC[C@@H](C)CN1CCc2onc(COC)c2C1 ZINC001201501728 983273021 /nfs/dbraw/zinc/27/30/21/983273021.db2.gz AMKUCYQGLRQLSD-SNVBAGLBSA-N 0 1 238.331 2.225 20 0 BEADMN Oc1cc(F)cc(F)c1NC(=S)NC1CC1 ZINC001200629642 983279149 /nfs/dbraw/zinc/27/91/49/983279149.db2.gz MEKFKWRKFVDFRO-UHFFFAOYSA-N 0 1 244.266 2.119 20 0 BEADMN Oc1c(Cl)cccc1NC(=S)NC1CC1 ZINC001200632011 983283423 /nfs/dbraw/zinc/28/34/23/983283423.db2.gz WVHIHULLEKWQEP-UHFFFAOYSA-N 0 1 242.731 2.494 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccc(=O)[nH]c1 ZINC001242063710 983285687 /nfs/dbraw/zinc/28/56/87/983285687.db2.gz VXOJTRSHAWPJBD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CC(C)CN1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001201479032 983287039 /nfs/dbraw/zinc/28/70/39/983287039.db2.gz XDMHSVXUDPXKEJ-UHFFFAOYSA-N 0 1 242.363 2.241 20 0 BEADMN O=c1ccc(-c2cncc3cc[nH]c32)c[nH]1 ZINC001242065707 983288540 /nfs/dbraw/zinc/28/85/40/983288540.db2.gz XKBZEAPGEQZIEN-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CCC[C@H](C)CN1CCc2c(ncnc2OC)C1 ZINC001201550849 983301112 /nfs/dbraw/zinc/30/11/12/983301112.db2.gz NRPCOEBRMPGXBK-NSHDSACASA-N 0 1 249.358 2.280 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC2(CCOC2)CC1 ZINC001354461193 983310962 /nfs/dbraw/zinc/31/09/62/983310962.db2.gz VGVXLXPIXLQLAO-LBPRGKRZSA-N 0 1 247.342 2.040 20 0 BEADMN c1nc2cccc(C3=CCOCC3)c2[nH]1 ZINC001242074944 983315281 /nfs/dbraw/zinc/31/52/81/983315281.db2.gz MFROJBQYDOFZSA-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN CCN1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001201580638 983342801 /nfs/dbraw/zinc/34/28/01/983342801.db2.gz IQCUPRHKUJIRBF-LLVKDONJSA-N 0 1 249.358 2.206 20 0 BEADMN CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC ZINC001201583147 983346513 /nfs/dbraw/zinc/34/65/13/983346513.db2.gz YMAZOCIRKPMLJC-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2occc2c1 ZINC001593740027 983353833 /nfs/dbraw/zinc/35/38/33/983353833.db2.gz HYJJTOHHDJUNNK-UHFFFAOYSA-N 0 1 233.267 2.339 20 0 BEADMN FC1C[C@@H]2COC[C@H](C1)N2CCc1ccccc1 ZINC001201606191 983373075 /nfs/dbraw/zinc/37/30/75/983373075.db2.gz OJFAVMIBFVVCTB-GOOCMWNKSA-N 0 1 249.329 2.430 20 0 BEADMN COCc1noc2c1CN(CCC(C)C)CC2 ZINC001201617673 983377972 /nfs/dbraw/zinc/37/79/72/983377972.db2.gz NJMZEGUAUYEPCE-UHFFFAOYSA-N 0 1 238.331 2.225 20 0 BEADMN CC1CCC(C)(C(=O)NC[C@H]2CCN2C)CC1 ZINC001355058149 983404637 /nfs/dbraw/zinc/40/46/37/983404637.db2.gz OPPMHDHGOPTDKM-MBHSVXNSSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(C)c1cc(-c2ccc(F)cc2O)ncn1 ZINC001242215545 983409740 /nfs/dbraw/zinc/40/97/40/983409740.db2.gz CJRKTEUWPVHEGQ-UHFFFAOYSA-N 0 1 247.273 2.444 20 0 BEADMN Oc1cc(F)ccc1-c1ncnc2c1CCC2 ZINC001242216593 983410503 /nfs/dbraw/zinc/41/05/03/983410503.db2.gz YCOJPPLZISUHJF-UHFFFAOYSA-N 0 1 230.242 2.477 20 0 BEADMN Cc1cnnc(-c2ccc(F)cc2O)c1 ZINC001242216477 983411073 /nfs/dbraw/zinc/41/10/73/983411073.db2.gz VMQSLMUUNDMAAE-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1ccnnc1-c1ccc(F)cc1O ZINC001242215791 983412817 /nfs/dbraw/zinc/41/28/17/983412817.db2.gz GOTVNXFSXPXFKQ-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN COC(=O)c1ccc(-c2ccc(F)cc2O)nc1 ZINC001242216806 983414962 /nfs/dbraw/zinc/41/49/62/983414962.db2.gz LVWKEXUBAZPBQM-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN Oc1cc(F)ccc1-c1ncnc2cc[nH]c21 ZINC001242216868 983415040 /nfs/dbraw/zinc/41/50/40/983415040.db2.gz NPXLPTKOJNNRME-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cc(F)ccc1-c1cnc(F)cn1 ZINC001242218589 983420565 /nfs/dbraw/zinc/42/05/65/983420565.db2.gz GKBJFVABGOGEIJ-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CCCCN1CCN(c2ncccc2OC)CC1 ZINC001201717109 983425616 /nfs/dbraw/zinc/42/56/16/983425616.db2.gz AEHPXHCPMZPUPK-UHFFFAOYSA-N 0 1 249.358 2.012 20 0 BEADMN CCCCCN1CCc2onc(COC)c2C1 ZINC001201729734 983440073 /nfs/dbraw/zinc/44/00/73/983440073.db2.gz AWNCGNLWVCIBLR-UHFFFAOYSA-N 0 1 238.331 2.369 20 0 BEADMN COCCCC1(CN2CC(C)(OC)C2)CCC1 ZINC001355321794 983472582 /nfs/dbraw/zinc/47/25/82/983472582.db2.gz SPCVBKGZMGSZQT-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CC(C)(C)CCN1CCN(C(C)(C)C)C(=O)C1 ZINC001202086936 983550369 /nfs/dbraw/zinc/55/03/69/983550369.db2.gz NMHGDQZTNBRTJG-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN COc1ncnc2c1CCN(CCC(C)(C)C)C2 ZINC001202087244 983557870 /nfs/dbraw/zinc/55/78/70/983557870.db2.gz VRCOWJUAFGTKHW-UHFFFAOYSA-N 0 1 249.358 2.280 20 0 BEADMN CC(C)c1ccccc1COCc1nn[nH]n1 ZINC001356056389 983560578 /nfs/dbraw/zinc/56/05/78/983560578.db2.gz IBFKDRUUQJSFRE-UHFFFAOYSA-N 0 1 232.287 2.040 20 0 BEADMN CCN(CCC(C)(C)C)[C@@H](C)C(=O)OC ZINC001202114925 983561664 /nfs/dbraw/zinc/56/16/64/983561664.db2.gz IZENMIXYVVOMNS-JTQLQIEISA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@]23C[C@H]2CCC3)n1 ZINC001356089848 983573414 /nfs/dbraw/zinc/57/34/14/983573414.db2.gz GKOGMHUQEBVEIW-KBVBSXBZSA-N 0 1 221.304 2.167 20 0 BEADMN CC1(C)OCCC12CCN(Cc1ncc[nH]1)CC2 ZINC001203981873 983576046 /nfs/dbraw/zinc/57/60/46/983576046.db2.gz MIFKBEZMHLGEQO-UHFFFAOYSA-N 0 1 249.358 2.191 20 0 BEADMN COc1ncnc2c1CC[N@@H+](CC1CCCC1)C2 ZINC001202166451 983579719 /nfs/dbraw/zinc/57/97/19/983579719.db2.gz FGRAWLTWIQGKRM-UHFFFAOYSA-N 0 1 247.342 2.034 20 0 BEADMN COc1ncnc2c1CCN(CC1CCCC1)C2 ZINC001202166451 983579752 /nfs/dbraw/zinc/57/97/52/983579752.db2.gz FGRAWLTWIQGKRM-UHFFFAOYSA-N 0 1 247.342 2.034 20 0 BEADMN FC1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CCCC1 ZINC001202178457 983588875 /nfs/dbraw/zinc/58/88/75/983588875.db2.gz RETGNEYDZPIYKQ-YHWZYXNKSA-N 0 1 227.323 2.378 20 0 BEADMN Cc1cnnc(-c2cccc(F)c2O)c1 ZINC001242348700 983613724 /nfs/dbraw/zinc/61/37/24/983613724.db2.gz YYSSCGKHNLJXKP-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN COC(=O)CCCN1CC(c2ccccc2)C1 ZINC001202240207 983615812 /nfs/dbraw/zinc/61/58/12/983615812.db2.gz QAWPCBDQOVOUSE-UHFFFAOYSA-N 0 1 233.311 2.039 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1C[C@@H]1c1ccccc1 ZINC001596224824 983615694 /nfs/dbraw/zinc/61/56/94/983615694.db2.gz BZEGZFBVYSYFEC-CHWSQXEVSA-N 0 1 233.311 2.197 20 0 BEADMN NC(=S)c1cccnc1-c1cccc(F)c1O ZINC001242349655 983619359 /nfs/dbraw/zinc/61/93/59/983619359.db2.gz VOEGBQHFKWYRCL-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN FC(F)(F)CCN1CCC[C@@]2(CCO2)C1 ZINC001202345989 983626638 /nfs/dbraw/zinc/62/66/38/983626638.db2.gz HTKSUKFKYUWWFQ-SECBINFHSA-N 0 1 223.238 2.194 20 0 BEADMN FC(F)(F)CCCN1CC2(C1)CCCOC2 ZINC001202377379 983643073 /nfs/dbraw/zinc/64/30/73/983643073.db2.gz DNZFEDLDKLGAGR-UHFFFAOYSA-N 0 1 237.265 2.441 20 0 BEADMN FC(F)(F)CCCN1CCn2nccc2C1 ZINC001202443326 983661302 /nfs/dbraw/zinc/66/13/02/983661302.db2.gz RJNIYWVAUDUOSV-UHFFFAOYSA-N 0 1 233.237 2.041 20 0 BEADMN NCc1ncc(-c2cccc3ccncc32)cn1 ZINC001242370060 983666602 /nfs/dbraw/zinc/66/66/02/983666602.db2.gz AGZMSFCMLUWTII-UHFFFAOYSA-N 0 1 236.278 2.151 20 0 BEADMN Cc1[nH+]c(N)ccc1-c1cccc(C(=O)[O-])c1F ZINC001242379822 983669629 /nfs/dbraw/zinc/66/96/29/983669629.db2.gz OFKXZGGJPBPERZ-UHFFFAOYSA-N 0 1 246.241 2.477 20 0 BEADMN Cc1ccc(-c2cc3[nH]cnc3cn2)cc1CO ZINC001242381391 983670078 /nfs/dbraw/zinc/67/00/78/983670078.db2.gz BPSHOQRMADCJEJ-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cn1ncc2c1CN(CCCC(F)(F)F)CC2 ZINC001202433314 983673853 /nfs/dbraw/zinc/67/38/53/983673853.db2.gz LPRRBCWTXIZSPY-UHFFFAOYSA-N 0 1 247.264 2.121 20 0 BEADMN COc1nc(-c2cc(C)oc2C)nc2nc[nH]c21 ZINC001242403413 983688325 /nfs/dbraw/zinc/68/83/25/983688325.db2.gz FTZBGWVLJXQUSD-UHFFFAOYSA-N 0 1 244.254 2.238 20 0 BEADMN Cc1cc(-c2nc(F)nc3nc[nH]c32)c(C)o1 ZINC001242403794 983689188 /nfs/dbraw/zinc/68/91/88/983689188.db2.gz URBONCFIBNKTJI-UHFFFAOYSA-N 0 1 232.218 2.320 20 0 BEADMN CC[N@@H+](CC1CC1)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001596294079 983714898 /nfs/dbraw/zinc/71/48/98/983714898.db2.gz FCPYGKJLSHMNCM-MRVPVSSYSA-N 0 1 238.287 2.166 20 0 BEADMN Cc1noc(C)c1CN1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473294562 983747055 /nfs/dbraw/zinc/74/70/55/983747055.db2.gz QKTDZPGSDFBQIB-MNOVXSKESA-N 0 1 242.269 2.378 20 0 BEADMN Cc1nc(CN2CC[C@H]3[C@@H](C2)C3(F)F)[nH]c1C ZINC001473294512 983747166 /nfs/dbraw/zinc/74/71/66/983747166.db2.gz PQJZJYIQYITMAE-VHSXEESVSA-N 0 1 241.285 2.114 20 0 BEADMN Cc1cnc(-c2cccc3c2OCCO3)cc1N ZINC001242467460 983790938 /nfs/dbraw/zinc/79/09/38/983790938.db2.gz GKBNQSHXXQUKHM-UHFFFAOYSA-N 0 1 242.278 2.410 20 0 BEADMN CCC[C@H](O)CN1CCCC(F)(F)[C@@H](F)C1 ZINC001252778392 983881501 /nfs/dbraw/zinc/88/15/01/983881501.db2.gz KEUGZWPTOJHPHT-UWVGGRQHSA-N 0 1 239.281 2.217 20 0 BEADMN CC/C=C\CCN1CC(=O)NC[C@H]1C(C)(C)C ZINC001473828266 983895815 /nfs/dbraw/zinc/89/58/15/983895815.db2.gz XYQJAFDAUWLBTF-DGMVEKRQSA-N 0 1 238.375 2.189 20 0 BEADMN CCc1ncc(CNCc2ccnc(C)c2)cn1 ZINC001474154121 983897812 /nfs/dbraw/zinc/89/78/12/983897812.db2.gz OJAOFSNEKIEGBC-UHFFFAOYSA-N 0 1 242.326 2.032 20 0 BEADMN C=C/C=C/CC[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001588720215 983965191 /nfs/dbraw/zinc/96/51/91/983965191.db2.gz NHWAXQULDKBRAU-SNAWJCMRSA-N 0 1 246.310 2.344 20 0 BEADMN CC1(CNC(=O)c2cccc3nc[nH]c32)CCC1 ZINC001137143035 983970041 /nfs/dbraw/zinc/97/00/41/983970041.db2.gz ZJBORUMWRBOUEG-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN Cc1cccc2c(CN(C)[C@H]3CCOC3)[nH]nc21 ZINC001137148062 983975758 /nfs/dbraw/zinc/97/57/58/983975758.db2.gz QIZCDMPTOOQFGQ-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CC[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC000201474446 983994657 /nfs/dbraw/zinc/99/46/57/983994657.db2.gz ZMVKOIDAEXWBGJ-SECBINFHSA-N 0 1 215.293 2.032 20 0 BEADMN COC(=O)CC1CN(Cc2cc(C)cs2)C1 ZINC001137157395 983997369 /nfs/dbraw/zinc/99/73/69/983997369.db2.gz WFZMFZXTSUUFCL-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN CN(C)Cc1cncc(-c2c[nH]c(=O)c(F)c2)c1 ZINC001242615681 983998177 /nfs/dbraw/zinc/99/81/77/983998177.db2.gz CDJMKNDFKPRVIJ-UHFFFAOYSA-N 0 1 247.273 2.050 20 0 BEADMN O=C(C[NH2+]C1CCCC1)c1ccc([O-])cc1 ZINC000001742387 983998737 /nfs/dbraw/zinc/99/87/37/983998737.db2.gz CRXSZIOKZAYLAY-UHFFFAOYSA-N 0 1 219.284 2.107 20 0 BEADMN Cc1cccc2ncc(CN3CC[C@H]3C)n21 ZINC001137192408 984047904 /nfs/dbraw/zinc/04/79/04/984047904.db2.gz DXBCMGMRFWRSPD-SNVBAGLBSA-N 0 1 215.300 2.237 20 0 BEADMN COc1cc(-c2nccc3[nH]cnc32)cc(C)n1 ZINC001242743150 984093990 /nfs/dbraw/zinc/09/39/90/984093990.db2.gz LLIFHPDMANCUHF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(-c2[nH]ccc3ncnc2-3)cc(C)n1 ZINC001242743150 984094000 /nfs/dbraw/zinc/09/40/00/984094000.db2.gz LLIFHPDMANCUHF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C/C=C(\C)c1cccc(-c2nn[nH]n2)c1 ZINC001242759749 984120930 /nfs/dbraw/zinc/12/09/30/984120930.db2.gz DLUFEJAAXIKXNG-FPYGCLRLSA-N 0 1 200.245 2.290 20 0 BEADMN CSc1ccc(-c2cnc(CN)nc2)c(F)c1 ZINC001242814920 984179565 /nfs/dbraw/zinc/17/95/65/984179565.db2.gz VFNYYQMLNHBMTD-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN Cc1ccc(NC(=O)NCCN2CCC2)c(C)c1 ZINC001202754920 984217225 /nfs/dbraw/zinc/21/72/25/984217225.db2.gz RGWIZBIQTWMSAV-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN C=C(c1ccccc1)c1ncnc2c1CCNC2 ZINC001242889591 984224311 /nfs/dbraw/zinc/22/43/11/984224311.db2.gz PRDIMQWHZCWEJB-UHFFFAOYSA-N 0 1 237.306 2.184 20 0 BEADMN Nc1nc2ccc(-c3nccs3)cc2[nH]1 ZINC001242896889 984254705 /nfs/dbraw/zinc/25/47/05/984254705.db2.gz YUUYKXASJPAEAN-UHFFFAOYSA-N 0 1 216.269 2.269 20 0 BEADMN Cc1ccc(-c2cc3[nH]nnc3cc2F)nc1 ZINC001242904700 984268580 /nfs/dbraw/zinc/26/85/80/984268580.db2.gz GUBPMCNRXCDQJQ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc2cccc(-c3ccncn3)c2[nH]1 ZINC001242918638 984292175 /nfs/dbraw/zinc/29/21/75/984292175.db2.gz AYEFWQWPDNUFNW-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN COc1ccc(-c2cc3[nH]cnc3cn2)c(C)n1 ZINC001242926356 984300278 /nfs/dbraw/zinc/30/02/78/984300278.db2.gz XUXDYQZWIPNTJY-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1nccc(-c2nccc(N)c2C)c1OC ZINC001242956638 984320528 /nfs/dbraw/zinc/32/05/28/984320528.db2.gz ZSHJHZFPRXCDST-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN c1nc2cncc(-c3cnn4ccccc34)c2[nH]1 ZINC001242962662 984327504 /nfs/dbraw/zinc/32/75/04/984327504.db2.gz XETWFTNVZLGYDG-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc2c(cncc2-c2cnn3ccccc23)[nH]1 ZINC001242962662 984327511 /nfs/dbraw/zinc/32/75/11/984327511.db2.gz XETWFTNVZLGYDG-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1cc(-c2cncc(CO)c2)cc2nc[nH]c21 ZINC001242971508 984336682 /nfs/dbraw/zinc/33/66/82/984336682.db2.gz QSZFPHZQJSMLNC-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001437917024 984363271 /nfs/dbraw/zinc/36/32/71/984363271.db2.gz XXMULZQEMGIFRP-UHFFFAOYSA-N 0 1 227.626 2.314 20 0 BEADMN CN1CCC12CN(CCCc1ccc(F)cc1)C2 ZINC001274879015 984398880 /nfs/dbraw/zinc/39/88/80/984398880.db2.gz CLHTVYBWZWRVNK-UHFFFAOYSA-N 0 1 248.345 2.148 20 0 BEADMN COc1cnccc1-c1cncc2[nH]c(C)nc21 ZINC001243078778 984516286 /nfs/dbraw/zinc/51/62/86/984516286.db2.gz YQTPOMOROQOCOA-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cnccc1-c1c[nH]cc2nc(C)nc1-2 ZINC001243078778 984516305 /nfs/dbraw/zinc/51/63/05/984516305.db2.gz YQTPOMOROQOCOA-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cccc(-c2cccc3[nH]nnc32)n1 ZINC001243095415 984523467 /nfs/dbraw/zinc/52/34/67/984523467.db2.gz NQVSJTWFFYIESO-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001322642085 984526542 /nfs/dbraw/zinc/52/65/42/984526542.db2.gz PVGSUXOJTUKQKQ-JHJVBQTASA-N 0 1 248.374 2.388 20 0 BEADMN COc1cccc(-c2cccc3cncn32)n1 ZINC001243098397 984533426 /nfs/dbraw/zinc/53/34/26/984533426.db2.gz QHDSXJPECSYUTP-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN CN1CCC12CN(Cc1cccc(Cl)c1)C2 ZINC001275302492 984534719 /nfs/dbraw/zinc/53/47/19/984534719.db2.gz CZWICEZQJYLICK-UHFFFAOYSA-N 0 1 236.746 2.230 20 0 BEADMN Cc1cc(CCC(=O)N2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC001443588128 984536153 /nfs/dbraw/zinc/53/61/53/984536153.db2.gz RTSBINSCIOEVBU-VXGBXAGGSA-N 0 1 249.358 2.440 20 0 BEADMN Cc1nnc(CN[C@H](C)Cc2cccc(F)c2)o1 ZINC000718887565 984554584 /nfs/dbraw/zinc/55/45/84/984554584.db2.gz RVTAKRWKBLVLCH-SECBINFHSA-N 0 1 249.289 2.238 20 0 BEADMN Cc1nnc(CN[C@@H](C)Cc2cccc(F)c2)o1 ZINC000718887567 984556206 /nfs/dbraw/zinc/55/62/06/984556206.db2.gz RVTAKRWKBLVLCH-VIFPVBQESA-N 0 1 249.289 2.238 20 0 BEADMN COC/C=C\C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC001445734374 984612651 /nfs/dbraw/zinc/61/26/51/984612651.db2.gz BXFGTGQASMIEAA-ARJAWSKDSA-N 0 1 245.282 2.012 20 0 BEADMN COc1ccc(CO)cc1-c1cc(N)c(C)cn1 ZINC001243170883 984627797 /nfs/dbraw/zinc/62/77/97/984627797.db2.gz NSJUPGLZIWNHDE-UHFFFAOYSA-N 0 1 244.294 2.140 20 0 BEADMN Cc1cc(-c2[nH]ccc3ncnc2-3)ccc1CO ZINC001243187063 984645934 /nfs/dbraw/zinc/64/59/34/984645934.db2.gz AQNUTEZBXSANGT-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(-c2nccc3[nH]cnc32)ccc1CO ZINC001243187063 984645955 /nfs/dbraw/zinc/64/59/55/984645955.db2.gz AQNUTEZBXSANGT-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001588949420 984673623 /nfs/dbraw/zinc/67/36/23/984673623.db2.gz RTZZWJTYPOITCQ-UMAGTOLTSA-N 0 1 223.316 2.139 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001588949418 984673885 /nfs/dbraw/zinc/67/38/85/984673885.db2.gz RTZZWJTYPOITCQ-OFFHKIPUSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)c1ccn[nH]1 ZINC001446895856 984705361 /nfs/dbraw/zinc/70/53/61/984705361.db2.gz RIQICMQYWFDKEC-GFCCVEGCSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001256734006 984802363 /nfs/dbraw/zinc/80/23/63/984802363.db2.gz VFJPXHHNVZZLFR-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN Cc1nc(-c2cc(N)ccc2F)nc2nc[nH]c21 ZINC001243283232 984806481 /nfs/dbraw/zinc/80/64/81/984806481.db2.gz KLEGYXSIVMEHQH-UHFFFAOYSA-N 0 1 243.245 2.001 20 0 BEADMN Nc1ccc(F)c(-c2nccc3c2CCN3)c1 ZINC001243284311 984809476 /nfs/dbraw/zinc/80/94/76/984809476.db2.gz YRHWNSCMKRIQKD-UHFFFAOYSA-N 0 1 229.258 2.438 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccc2cc[nH]c2c1 ZINC001448536306 984814300 /nfs/dbraw/zinc/81/43/00/984814300.db2.gz GMPDBVHKPYIFBE-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN Cc1nccc(-c2ccc(O)c(F)c2F)n1 ZINC001243338407 984828786 /nfs/dbraw/zinc/82/87/86/984828786.db2.gz IRNOLONISMGUCS-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN Cn1cnc(-c2ccc(O)c(F)c2F)c1 ZINC001243339314 984830205 /nfs/dbraw/zinc/83/02/05/984830205.db2.gz OIBZIILMBDLXNG-UHFFFAOYSA-N 0 1 210.183 2.071 20 0 BEADMN Cc1ccnnc1-c1ccc(O)c(F)c1F ZINC001243340195 984830805 /nfs/dbraw/zinc/83/08/05/984830805.db2.gz ZEPQXMGHJMVMIA-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN CC=C(NC=[NH2+])c1ccc([O-])c(F)c1F ZINC001243340993 984834324 /nfs/dbraw/zinc/83/43/24/984834324.db2.gz AOBSBRSJMNQCFI-UQCOIBPSSA-N 0 1 212.199 2.228 20 0 BEADMN CCC[C@H](CC)N(C)Cc1ncccn1 ZINC001257257437 984860135 /nfs/dbraw/zinc/86/01/35/984860135.db2.gz QUTPFSJQARDQAY-NSHDSACASA-N 0 1 207.321 2.487 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cocn2)CCS1 ZINC000885998940 984860669 /nfs/dbraw/zinc/86/06/69/984860669.db2.gz NMNCBLUWXAAULX-BDAKNGLRSA-N 0 1 212.318 2.048 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001588948578 984937941 /nfs/dbraw/zinc/93/79/41/984937941.db2.gz IZDMDXAUJVRXGM-YGNAEDSMSA-N 0 1 231.295 2.464 20 0 BEADMN Cc1cc2nc[nH]c2cc1-c1ccc(CO)nc1 ZINC001243466890 984995939 /nfs/dbraw/zinc/99/59/39/984995939.db2.gz GKIXYZSAIPHGCI-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001589033983 984997887 /nfs/dbraw/zinc/99/78/87/984997887.db2.gz GISYLDKIVKNMSE-YPMHNXCESA-N 0 1 247.338 2.369 20 0 BEADMN CCOCc1noc2c1CN([C@@H](C)CC)CC2 ZINC001257445989 985044786 /nfs/dbraw/zinc/04/47/86/985044786.db2.gz WATAJWJGPVSDJX-JTQLQIEISA-N 0 1 238.331 2.368 20 0 BEADMN [NH3+]Cc1ccc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243502647 985053738 /nfs/dbraw/zinc/05/37/38/985053738.db2.gz MGDBQOKFMBIHRP-UHFFFAOYSA-N 0 1 236.221 2.191 20 0 BEADMN COC(OC)[C@@H](C)NCc1ccc(C)cc1F ZINC000686494070 985123368 /nfs/dbraw/zinc/12/33/68/985123368.db2.gz JSGHNAJFGCUSPW-SNVBAGLBSA-N 0 1 241.306 2.231 20 0 BEADMN CCCCC[C@H](C)N(C)[C@H](C)C(=O)OC ZINC001257516434 985178151 /nfs/dbraw/zinc/17/81/51/985178151.db2.gz JWOWSUASHNZOPB-WDEREUQCSA-N 0 1 215.337 2.449 20 0 BEADMN Cc1nc2cncc(-c3conc3C)c2[nH]1 ZINC001243677964 985184868 /nfs/dbraw/zinc/18/48/68/985184868.db2.gz KLIYTPBNUWNSGA-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN CCCCC[C@@H](C)N1CC(OCCOC)C1 ZINC001257517993 985192867 /nfs/dbraw/zinc/19/28/67/985192867.db2.gz GUOVPDZGCZLEBA-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CSC=CC(=O)Nc1c2nn[nH]c2ccc1C ZINC001457152765 985195094 /nfs/dbraw/zinc/19/50/94/985195094.db2.gz WPBLNENROHBCCK-AATRIKPKSA-N 0 1 248.311 2.082 20 0 BEADMN c1cnc(C2CC2)c(-c2ncc3c(n2)CNC3)c1 ZINC001243685866 985201554 /nfs/dbraw/zinc/20/15/54/985201554.db2.gz UTJGCZUFLIFNAB-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN c1cnc(C2CC2)c(-c2ncnc3c2CNC3)c1 ZINC001243685230 985201852 /nfs/dbraw/zinc/20/18/52/985201852.db2.gz PITINFVCEXJWFO-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN CO[C@H]1CC[C@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000687189638 985251081 /nfs/dbraw/zinc/25/10/81/985251081.db2.gz OMNNZIOSFIGRBM-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CN(C)C=Cc1ccncc1-c1cccc(=O)[nH]1 ZINC001243738948 985280765 /nfs/dbraw/zinc/28/07/65/985280765.db2.gz ZDRODBVGZFQMGP-VQHVLOKHSA-N 0 1 241.294 2.382 20 0 BEADMN Cc1cc(F)ncc1-c1cncc2nc[nH]c21 ZINC001243756715 985284438 /nfs/dbraw/zinc/28/44/38/985284438.db2.gz MTLCFABFORWNSX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc(F)ncc1-c1cc(N)ccn1 ZINC001243760274 985294966 /nfs/dbraw/zinc/29/49/66/985294966.db2.gz JINNUFAJSMUWCJ-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN CC(C)C1(C[N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000687533762 985307751 /nfs/dbraw/zinc/30/77/51/985307751.db2.gz HBJNORPKSMLPEB-NSHDSACASA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C1(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)CC1 ZINC000687538865 985308077 /nfs/dbraw/zinc/30/80/77/985308077.db2.gz YTXSWGNTJPJMTE-DGCLKSJQSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1cnc(F)cc1-c1cc(N)ccn1 ZINC001243779451 985322176 /nfs/dbraw/zinc/32/21/76/985322176.db2.gz BEAGPKDHNCBTLP-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN Cc1cnc(F)cc1-c1nc2nc[nH]c2c(C)n1 ZINC001243782070 985326821 /nfs/dbraw/zinc/32/68/21/985326821.db2.gz UHURKVQYJGORML-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN Cc1cnc(F)cc1-c1cccc2[nH]nnc21 ZINC001243783473 985331983 /nfs/dbraw/zinc/33/19/83/985331983.db2.gz GNIOILFPYAGKCE-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2COC[C@@H]2C)n1 ZINC000688050547 985531267 /nfs/dbraw/zinc/53/12/67/985531267.db2.gz UNAGXSCYGFIFOX-HGNGGELXSA-N 0 1 226.345 2.137 20 0 BEADMN COc1nscc1CN1CC[C@@H](C)[C@@H]1C ZINC001459633554 985558468 /nfs/dbraw/zinc/55/84/68/985558468.db2.gz UHOABWCTOVRFOT-BDAKNGLRSA-N 0 1 226.345 2.382 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@@H](C)OC[C@H]1C ZINC001258195440 985586429 /nfs/dbraw/zinc/58/64/29/985586429.db2.gz QTKACQDGVAEITF-IJLUTSLNSA-N 0 1 223.316 2.320 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1COC2(CCC2)C1 ZINC000688270408 985594394 /nfs/dbraw/zinc/59/43/94/985594394.db2.gz CRRDYTJXZQGNEZ-NWDGAFQWSA-N 0 1 247.342 2.147 20 0 BEADMN Nc1ccc(-c2cccc3nc[nH]c32)nc1 ZINC001243930155 985598748 /nfs/dbraw/zinc/59/87/48/985598748.db2.gz XKIPZJQNHUKNNL-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Fc1nccc(-c2cccc3nc[nH]c32)n1 ZINC001243929705 985601730 /nfs/dbraw/zinc/60/17/30/985601730.db2.gz DFEUSBFNWBSHRZ-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1ncc(-c2cccc3nc[nH]c32)c(C)n1 ZINC001243932090 985609914 /nfs/dbraw/zinc/60/99/14/985609914.db2.gz CGMFNBCEDCGBPX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC1(CCNC(=O)c2cccc(F)c2O)CC1 ZINC001459803355 985621050 /nfs/dbraw/zinc/62/10/50/985621050.db2.gz KFGNZIOYVSEGGE-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCC1CCC1 ZINC000688391940 985625147 /nfs/dbraw/zinc/62/51/47/985625147.db2.gz NERCBMKCVPIWOR-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN COc1cc2nc[nH]c2cc1C1=CNCCC1 ZINC001243950394 985647573 /nfs/dbraw/zinc/64/75/73/985647573.db2.gz QXVJSAXGHMULJH-UHFFFAOYSA-N 0 1 229.283 2.296 20 0 BEADMN CCCn1ncc(CN2CC[C@H]2C)c1C ZINC001138636826 985648791 /nfs/dbraw/zinc/64/87/91/985648791.db2.gz JPAHTTSLDNSBMN-SNVBAGLBSA-N 0 1 207.321 2.196 20 0 BEADMN CSCC[C@@H](C)N1CCn2c(cnc2C)C1 ZINC001258216287 985652924 /nfs/dbraw/zinc/65/29/24/985652924.db2.gz WFFVRNBBZVEXEG-SNVBAGLBSA-N 0 1 239.388 2.149 20 0 BEADMN COc1cc(OC)c(C2=CNCCC2)cc1OC ZINC001243952775 985660912 /nfs/dbraw/zinc/66/09/12/985660912.db2.gz UDZGRXUYDQZYSU-UHFFFAOYSA-N 0 1 249.310 2.437 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)[C@H]1C ZINC001594499442 985666462 /nfs/dbraw/zinc/66/64/62/985666462.db2.gz DNDCSDZYRCSGGE-VDDIYKPWSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)[C@H]1C ZINC001594499442 985666467 /nfs/dbraw/zinc/66/64/67/985666467.db2.gz DNDCSDZYRCSGGE-VDDIYKPWSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC001594500272 985674936 /nfs/dbraw/zinc/67/49/36/985674936.db2.gz UODAECGDACUQDJ-GJMOJQLCSA-N 0 1 240.328 2.243 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC001594500270 985674921 /nfs/dbraw/zinc/67/49/21/985674921.db2.gz UODAECGDACUQDJ-BWZBUEFSSA-N 0 1 240.328 2.243 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1C[C@@H](C)[C@H]1C ZINC001594500270 985674922 /nfs/dbraw/zinc/67/49/22/985674922.db2.gz UODAECGDACUQDJ-BWZBUEFSSA-N 0 1 240.328 2.243 20 0 BEADMN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC001594500272 985674930 /nfs/dbraw/zinc/67/49/30/985674930.db2.gz UODAECGDACUQDJ-GJMOJQLCSA-N 0 1 240.328 2.243 20 0 BEADMN COc1cnnc(-c2ccc3[nH]c(C)nc3c2)c1 ZINC001243962409 985675560 /nfs/dbraw/zinc/67/55/60/985675560.db2.gz CWDZMTZOSCLNHN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCN([C@@H](C)CCSC)[C@@H](C)C(=O)OC ZINC001258230267 985683322 /nfs/dbraw/zinc/68/33/22/985683322.db2.gz SFHNEYBPXXREPY-UWVGGRQHSA-N 0 1 233.377 2.011 20 0 BEADMN Nc1nccc(-c2c(O)cccc2Cl)n1 ZINC001244037311 985772432 /nfs/dbraw/zinc/77/24/32/985772432.db2.gz SEYAARGPVMYWOW-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN Oc1c(F)cc(-c2cccn3cnnc23)cc1F ZINC001244093669 985807119 /nfs/dbraw/zinc/80/71/19/985807119.db2.gz KEKJBRMYGBZQFK-UHFFFAOYSA-N 0 1 247.204 2.380 20 0 BEADMN COc1ncncc1-c1cc(F)c(O)c(F)c1 ZINC001244097522 985807996 /nfs/dbraw/zinc/80/79/96/985807996.db2.gz QGGMEKAFELGRCG-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Oc1c(F)cc(-c2cnc(F)nc2F)cc1F ZINC001244098105 985814280 /nfs/dbraw/zinc/81/42/80/985814280.db2.gz YMTSYNQZPGSDTC-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN CO[C@@H]1CC=C(Nc2cncc(C)n2)CC1 ZINC001212872370 985817466 /nfs/dbraw/zinc/81/74/66/985817466.db2.gz VTUSGMGUYJRPEE-LLVKDONJSA-N 0 1 219.288 2.280 20 0 BEADMN COC(=O)CC[C@H](C)N[C@@H](C)c1cscn1 ZINC001258351546 985829690 /nfs/dbraw/zinc/82/96/90/985829690.db2.gz SBELFXJJFIKFQP-IUCAKERBSA-N 0 1 242.344 2.135 20 0 BEADMN Cc1cc(C)c(-c2nc3nc[nH]c3c(C)n2)cn1 ZINC001244144220 985843960 /nfs/dbraw/zinc/84/39/60/985843960.db2.gz FYTIFMRYAYOVBU-UHFFFAOYSA-N 0 1 239.282 2.292 20 0 BEADMN COC(=O)CC[C@@H](C)N1CCC[C@@](C)(F)C1 ZINC001258366707 985850357 /nfs/dbraw/zinc/85/03/57/985850357.db2.gz VIJZSSHGDGKXEC-ZYHUDNBSSA-N 0 1 231.311 2.152 20 0 BEADMN C[C@H](CC1CC1)NC1(c2ncccn2)CC1 ZINC001258453571 985898495 /nfs/dbraw/zinc/89/84/95/985898495.db2.gz CMHLDOKHVLNVII-SNVBAGLBSA-N 0 1 217.316 2.244 20 0 BEADMN c1cc(C2CC2)c(-c2cc3c(nn2)CNC3)cn1 ZINC001244276519 985907115 /nfs/dbraw/zinc/90/71/15/985907115.db2.gz IFMKFZBYBWNPDY-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN COc1cc(CN(C)CCCCF)sn1 ZINC001460835031 985909253 /nfs/dbraw/zinc/90/92/53/985909253.db2.gz NPWPYASOEAXHIM-UHFFFAOYSA-N 0 1 232.324 2.333 20 0 BEADMN Cc1cc(CN2CCOCC[C@@H]2C)sn1 ZINC001460899268 985927419 /nfs/dbraw/zinc/92/74/19/985927419.db2.gz XOZRPUZZWBDBJT-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CCC[C@@H]1CCCN1Cc1nnc(CC)[nH]1 ZINC001460903052 985934461 /nfs/dbraw/zinc/93/44/61/985934461.db2.gz QQUMWUMWOJOWLM-SNVBAGLBSA-N 0 1 222.336 2.132 20 0 BEADMN Cc1cc(CN2C[C@@H](C)OCC[C@H]2C)sn1 ZINC001460966978 985963748 /nfs/dbraw/zinc/96/37/48/985963748.db2.gz YUEANSNQUSFRNP-GHMZBOCLSA-N 0 1 240.372 2.451 20 0 BEADMN c1cncc(CNCc2cnc(C3CC3)nc2)c1 ZINC001461003828 985995925 /nfs/dbraw/zinc/99/59/25/985995925.db2.gz URTPXLJWRBIBPF-UHFFFAOYSA-N 0 1 240.310 2.039 20 0 BEADMN Cc1n[nH]cc1CNCc1c[nH]nc1C(C)(C)C ZINC001461041833 986001004 /nfs/dbraw/zinc/00/10/04/986001004.db2.gz SNMQRWPGYBCUFW-UHFFFAOYSA-N 0 1 247.346 2.029 20 0 BEADMN Cc1cnccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC001461285787 986036431 /nfs/dbraw/zinc/03/64/31/986036431.db2.gz HZWNBTUZSYEVOR-CYBMUJFWSA-N 0 1 242.326 2.280 20 0 BEADMN CCOc1cc(-c2cnc(CN)nc2)ccc1C ZINC001244441080 986089221 /nfs/dbraw/zinc/08/92/21/986089221.db2.gz PGFXIOKLYYDHDX-UHFFFAOYSA-N 0 1 243.310 2.309 20 0 BEADMN Cc1[nH]nc(CNc2cnn3ccccc23)c1C ZINC001461669644 986112397 /nfs/dbraw/zinc/11/23/97/986112397.db2.gz NXGKFLZHOGYGSZ-UHFFFAOYSA-N 0 1 241.298 2.286 20 0 BEADMN Oc1cc(Cl)ccc1-c1ncnc2[nH]cnc21 ZINC001244466576 986129965 /nfs/dbraw/zinc/12/99/65/986129965.db2.gz RMEYNUDCNNASBY-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN Oc1cc(Cl)ccc1-c1ccc2nncn2n1 ZINC001244473433 986154737 /nfs/dbraw/zinc/15/47/37/986154737.db2.gz SAGNPJJDHIDTSM-UHFFFAOYSA-N 0 1 246.657 2.150 20 0 BEADMN C[C@@H](O)C(C)(C)CNCc1ncc(Cl)s1 ZINC001461793854 986159219 /nfs/dbraw/zinc/15/92/19/986159219.db2.gz GEGNXUWLWIQIQW-SSDOTTSWSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@H](O)C(C)(C)CNCc1ncc(Cl)s1 ZINC001461793863 986161968 /nfs/dbraw/zinc/16/19/68/986161968.db2.gz GEGNXUWLWIQIQW-ZETCQYMHSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H](O)C(C)(C)CNCc1c(F)cccc1F ZINC001461796109 986164079 /nfs/dbraw/zinc/16/40/79/986164079.db2.gz NGHWLXRJOLBGKI-SECBINFHSA-N 0 1 243.297 2.461 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC001461809435 986174576 /nfs/dbraw/zinc/17/45/76/986174576.db2.gz CNAAAGCBPZEFRJ-FXPVBKGRSA-N 0 1 239.750 2.352 20 0 BEADMN Clc1ccc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)o1 ZINC001461833854 986196876 /nfs/dbraw/zinc/19/68/76/986196876.db2.gz HMNWXSJTHIQWHN-FXBDTBDDSA-N 0 1 227.691 2.343 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CCC1(C)C ZINC001579789911 986216140 /nfs/dbraw/zinc/21/61/40/986216140.db2.gz DJOIGFLOSVOWRO-QWHCGFSZSA-N 0 1 246.354 2.300 20 0 BEADMN CC(=O)c1cc(-c2ncc3c(n2)CNC3)cs1 ZINC001244624941 986285742 /nfs/dbraw/zinc/28/57/42/986285742.db2.gz YNGZLHJRQZJGLI-UHFFFAOYSA-N 0 1 245.307 2.011 20 0 BEADMN C[C@H]1CCC[C@@H](N2CCn3cncc3C2)C1 ZINC001258827687 986291860 /nfs/dbraw/zinc/29/18/60/986291860.db2.gz UDUIIYDMUIUHOU-NWDGAFQWSA-N 0 1 219.332 2.277 20 0 BEADMN CC(C)(C)[C@H](O)CNc1ccc2nccn2c1 ZINC001253716923 986336251 /nfs/dbraw/zinc/33/62/51/986336251.db2.gz GWJBBOHHMMIXDV-LLVKDONJSA-N 0 1 233.315 2.153 20 0 BEADMN CC(C)(C)[C@H](O)CNc1cnc2ccccn12 ZINC001253718302 986338164 /nfs/dbraw/zinc/33/81/64/986338164.db2.gz TVJKNGZYHPLDDT-SNVBAGLBSA-N 0 1 233.315 2.153 20 0 BEADMN COc1cc(NC[C@@H](O)C(C)(C)C)cc(C)n1 ZINC001253718414 986339842 /nfs/dbraw/zinc/33/98/42/986339842.db2.gz MKCYPTUDRUHUDE-LLVKDONJSA-N 0 1 238.331 2.218 20 0 BEADMN OCc1cc(-c2cccc3cncn32)ccc1O ZINC001244777485 986340851 /nfs/dbraw/zinc/34/08/51/986340851.db2.gz FYZRTZKBTFDNLX-UHFFFAOYSA-N 0 1 240.262 2.199 20 0 BEADMN CC(C)[C@@H](O)CN1CCCC(F)(F)[C@@H](F)C1 ZINC001253757292 986382758 /nfs/dbraw/zinc/38/27/58/986382758.db2.gz OLFVXAOTOMRWQZ-UWVGGRQHSA-N 0 1 239.281 2.073 20 0 BEADMN COc1ccc(-c2[nH]ccc3ncnc2-3)cc1N ZINC001244890659 986418242 /nfs/dbraw/zinc/41/82/42/986418242.db2.gz APBOIIYBULIOIB-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COc1ccc(-c2nccc3[nH]cnc32)cc1N ZINC001244890659 986418258 /nfs/dbraw/zinc/41/82/58/986418258.db2.gz APBOIIYBULIOIB-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN OCc1ccc(-c2cncc3nc[nH]c32)c(F)c1 ZINC001244912672 986455284 /nfs/dbraw/zinc/45/52/84/986455284.db2.gz VQUPUYNKSIMSTF-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cncs2)n1C ZINC000689251087 986460714 /nfs/dbraw/zinc/46/07/14/986460714.db2.gz JIWOCMBENWXTET-MRVPVSSYSA-N 0 1 236.344 2.036 20 0 BEADMN NCc1ncc(-c2cc3c(cccc3F)o2)cn1 ZINC001244924962 986476928 /nfs/dbraw/zinc/47/69/28/986476928.db2.gz AGJUCXJQVHYTIV-UHFFFAOYSA-N 0 1 243.241 2.488 20 0 BEADMN COc1ccccc1NC(=O)c1[nH]c(C)nc1C ZINC001463678866 986569756 /nfs/dbraw/zinc/56/97/56/986569756.db2.gz XORAMXUQXIGUHU-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN Cc1ccc([C@@H](O)CN2CCC[C@H](F)C2)cc1 ZINC000689436593 986603969 /nfs/dbraw/zinc/60/39/69/986603969.db2.gz KAGNHNOESOTDIR-KBPBESRZSA-N 0 1 237.318 2.462 20 0 BEADMN Cc1cccc([C@@H](O)CN2CCC[C@@H](F)C2)c1 ZINC000689439435 986610499 /nfs/dbraw/zinc/61/04/99/986610499.db2.gz ZAXKPDJLSGCBCC-KGLIPLIRSA-N 0 1 237.318 2.462 20 0 BEADMN COc1cc(-c2nccc3[nH]cnc32)cnc1F ZINC001245072920 986634025 /nfs/dbraw/zinc/63/40/25/986634025.db2.gz KVUDVGVJRAWINE-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1c2[nH]c(CCCO)nc2ccc1Cl ZINC000379964785 986691140 /nfs/dbraw/zinc/69/11/40/986691140.db2.gz HRWRWXDROUHIOD-UHFFFAOYSA-N 0 1 224.691 2.450 20 0 BEADMN Cc1nc2c[nH]cc(C3=CCCOC3)c-2n1 ZINC001245159233 986699126 /nfs/dbraw/zinc/69/91/26/986699126.db2.gz QQQLKSMQXKWIGY-UHFFFAOYSA-N 0 1 215.256 2.070 20 0 BEADMN Cc1nc2c(cncc2C2=CCCOC2)[nH]1 ZINC001245159233 986699135 /nfs/dbraw/zinc/69/91/35/986699135.db2.gz QQQLKSMQXKWIGY-UHFFFAOYSA-N 0 1 215.256 2.070 20 0 BEADMN c1ncn2cccc(C3=CCCOC3)c12 ZINC001245161231 986708698 /nfs/dbraw/zinc/70/86/98/986708698.db2.gz GIOWNUGKGTZAEF-UHFFFAOYSA-N 0 1 200.241 2.138 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC001466088574 986766470 /nfs/dbraw/zinc/76/64/70/986766470.db2.gz GTOOPUCEGOMQAU-WDEREUQCSA-N 0 1 249.358 2.155 20 0 BEADMN CCC1(CNC(=O)c2[nH]ncc2F)CCCC1 ZINC001466066084 986767470 /nfs/dbraw/zinc/76/74/70/986767470.db2.gz FQHYLGUZMXGRQQ-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN CCOc1cc(-c2cc3[nH]cnc3cn2)ccn1 ZINC001245264139 986768594 /nfs/dbraw/zinc/76/85/94/986768594.db2.gz BVIGRHINMIMBFJ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN S=c1nc2[nH]cnc(-c3cc[nH]n3)c-2s1 ZINC001245309428 986792068 /nfs/dbraw/zinc/79/20/68/986792068.db2.gz IZSRWVQABHZCFX-UHFFFAOYSA-N 0 1 235.297 2.091 20 0 BEADMN F[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC001137344813 986808263 /nfs/dbraw/zinc/80/82/63/986808263.db2.gz FGGOYEUPKQTLAY-AOOOYVTPSA-N 0 1 237.253 2.055 20 0 BEADMN C[C@H]1CC(=O)CCN1Cc1[nH]nc2ccccc21 ZINC001137345122 986808288 /nfs/dbraw/zinc/80/82/88/986808288.db2.gz SZNCPKJZMCSJQN-JTQLQIEISA-N 0 1 243.310 2.116 20 0 BEADMN F[C@@H]1CN(Cc2[nH]nc3ccccc32)C[C@H]1F ZINC001137344814 986808728 /nfs/dbraw/zinc/80/87/28/986808728.db2.gz FGGOYEUPKQTLAY-NXEZZACHSA-N 0 1 237.253 2.055 20 0 BEADMN Nc1cc[nH+]c(-c2cc(CC(=O)[O-])ccc2F)c1 ZINC001245315597 986812277 /nfs/dbraw/zinc/81/22/77/986812277.db2.gz VJRGMXYJBDKFAJ-UHFFFAOYSA-N 0 1 246.241 2.097 20 0 BEADMN Cc1cccc2[nH]c(-c3cnc(CN)nc3)cc21 ZINC001245344468 986818016 /nfs/dbraw/zinc/81/80/16/986818016.db2.gz KYBLDMOLLLDEHU-UHFFFAOYSA-N 0 1 238.294 2.392 20 0 BEADMN COc1c(C)cccc1-c1ncnc2c1CNC2 ZINC001245357823 986820752 /nfs/dbraw/zinc/82/07/52/986820752.db2.gz DCPHZUKOISZFRC-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN C[C@H](NC(=O)CN(C)C)C1CCCCCC1 ZINC001466756985 986820759 /nfs/dbraw/zinc/82/07/59/986820759.db2.gz XYIOYNPLVVEXHL-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCc1nnc(-c2c(O)cccc2F)o1 ZINC001255132434 986822572 /nfs/dbraw/zinc/82/25/72/986822572.db2.gz RGTHYAIPQXWFHO-UHFFFAOYSA-N 0 1 208.192 2.144 20 0 BEADMN c1nc(-c2ccccc2)[nH]c1CN1CCCO1 ZINC001139550443 986840290 /nfs/dbraw/zinc/84/02/90/986840290.db2.gz DSPMQWMNBDLKGE-UHFFFAOYSA-N 0 1 229.283 2.214 20 0 BEADMN c1c2ccc[nH]c-2nc1-c1ncc2c(n1)COC2 ZINC001245401575 986841070 /nfs/dbraw/zinc/84/10/70/986841070.db2.gz KBHGGISVOBISQR-UHFFFAOYSA-N 0 1 238.250 2.050 20 0 BEADMN Nc1cccc(CN2CC[C@H](C(F)(F)F)C2)n1 ZINC000384070838 986843600 /nfs/dbraw/zinc/84/36/00/986843600.db2.gz VIRZIJAGKLCIGB-QMMMGPOBSA-N 0 1 245.248 2.048 20 0 BEADMN FC[C@@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000390815996 986851043 /nfs/dbraw/zinc/85/10/43/986851043.db2.gz KRDYDLASJFEQLV-CHWSQXEVSA-N 0 1 223.291 2.466 20 0 BEADMN C/C=C(\C)C(=O)NCCCN(C)C/C=C\Cl ZINC001265821801 986859063 /nfs/dbraw/zinc/85/90/63/986859063.db2.gz AAFSILZSHVTUAG-WZXAJVQYSA-N 0 1 244.766 2.143 20 0 BEADMN CC1(C)CN(Cc2c[nH]c3ncccc23)CCO1 ZINC001137396854 986877209 /nfs/dbraw/zinc/87/72/09/986877209.db2.gz TUNOPPQHARWODI-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cccnc1Cl ZINC001137421667 986891661 /nfs/dbraw/zinc/89/16/61/986891661.db2.gz ZZXQDEJVVWBKKJ-ONGXEEELSA-N 0 1 240.734 2.080 20 0 BEADMN CC(C)c1coc(NC(=O)c2ncccc2O)n1 ZINC001468219232 986892149 /nfs/dbraw/zinc/89/21/49/986892149.db2.gz LYZZUAFDPFSDBR-UHFFFAOYSA-N 0 1 247.254 2.151 20 0 BEADMN c1cnc([C@@H]2CCCN2[C@H]2CCSC2)nc1 ZINC001255296601 986898262 /nfs/dbraw/zinc/89/82/62/986898262.db2.gz USUOJMRWMXKMHL-QWRGUYRKSA-N 0 1 235.356 2.119 20 0 BEADMN C=C/C=C/CC(=O)NCc1ccc2cncn2c1 ZINC001468836342 986941094 /nfs/dbraw/zinc/94/10/94/986941094.db2.gz ZKLLYTJTTBTGSA-ONEGZZNKSA-N 0 1 241.294 2.083 20 0 BEADMN CSc1cccnc1NC(=O)c1cc(C)no1 ZINC001469786187 987002220 /nfs/dbraw/zinc/00/22/20/987002220.db2.gz CUSIXGVXOUKOQS-UHFFFAOYSA-N 0 1 249.295 2.352 20 0 BEADMN Nc1cccnc1-c1c(O)cccc1F ZINC001245651850 987011577 /nfs/dbraw/zinc/01/15/77/987011577.db2.gz IYNOTENBRDVEJK-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN COCc1cc(-c2c(O)cccc2F)nc(C)n1 ZINC001245651493 987011606 /nfs/dbraw/zinc/01/16/06/987011606.db2.gz AWGVEGNYMYQQCR-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN Cn1cncc1-c1cc(O)c(F)c(F)c1F ZINC001245634996 987012650 /nfs/dbraw/zinc/01/26/50/987012650.db2.gz IXKZRFOWPPKSKC-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN Cc1cc(-c2c(O)cccc2F)ncn1 ZINC001245650491 987014987 /nfs/dbraw/zinc/01/49/87/987014987.db2.gz DHJGCJGJZQYVET-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Oc1cccc(F)c1-c1cnc2[nH]ccc2n1 ZINC001245652035 987018131 /nfs/dbraw/zinc/01/81/31/987018131.db2.gz KXOPEOULXXSQNZ-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cccc(F)c1-c1ncncc1F ZINC001245651735 987020790 /nfs/dbraw/zinc/02/07/90/987020790.db2.gz GXZNXBKPXSPUQQ-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN CN(C)c1nccnc1-c1c(O)cccc1F ZINC001245652062 987021799 /nfs/dbraw/zinc/02/17/99/987021799.db2.gz MDGKLJTXYZOTAB-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Oc1cccc(F)c1-c1cccc2[nH]nnc21 ZINC001245654174 987022646 /nfs/dbraw/zinc/02/26/46/987022646.db2.gz ASWBUIRLPCKTBN-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1cc(C(N)=O)cc(-c2c(O)cccc2F)n1 ZINC001245652903 987023273 /nfs/dbraw/zinc/02/32/73/987023273.db2.gz DEKHADUAOPAPRJ-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Oc1cccc(F)c1-c1ncnc2c1COC2 ZINC001245654212 987026610 /nfs/dbraw/zinc/02/66/10/987026610.db2.gz MHNBZGHNUNTNHW-UHFFFAOYSA-N 0 1 232.214 2.019 20 0 BEADMN C[C@H](CC(F)(F)F)N[C@@H]1CCCCC1=O ZINC001255639145 987037822 /nfs/dbraw/zinc/03/78/22/987037822.db2.gz SDFVWYKJUAEAET-HTQZYQBOSA-N 0 1 223.238 2.429 20 0 BEADMN CC(C)(C)ONC(=O)[C@H]1CC(=O)c2ccccc21 ZINC001255665273 987048196 /nfs/dbraw/zinc/04/81/96/987048196.db2.gz IPBDQNDVLCHNHT-NSHDSACASA-N 0 1 247.294 2.203 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001589488345 987053835 /nfs/dbraw/zinc/05/38/35/987053835.db2.gz XYWACSFOKLNRNM-KCJUWKMLSA-N 0 1 223.247 2.046 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001589488345 987053846 /nfs/dbraw/zinc/05/38/46/987053846.db2.gz XYWACSFOKLNRNM-KCJUWKMLSA-N 0 1 223.247 2.046 20 0 BEADMN O=C1Cc2ccc(-c3cccc4cncn43)cc2N1 ZINC001245890594 987099747 /nfs/dbraw/zinc/09/97/47/987099747.db2.gz IUYRLXPYMXVBMR-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN Cc1cc(-c2ccc3cncn3c2)ncn1 ZINC001245894322 987102272 /nfs/dbraw/zinc/10/22/72/987102272.db2.gz HBERFUDPEUKGFH-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1ccnnc1-c1ccc2cncn2c1 ZINC001245893550 987102589 /nfs/dbraw/zinc/10/25/89/987102589.db2.gz DACMASSHCIDQMB-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN c1nc2ccnc(-c3ccc4cncn4c3)c2[nH]1 ZINC001245895393 987105964 /nfs/dbraw/zinc/10/59/64/987105964.db2.gz YMEJQFUBABNTKL-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1cnc(-c2ccc3cncn3c2)nc1C ZINC001245894335 987106783 /nfs/dbraw/zinc/10/67/83/987106783.db2.gz HEGNBAGFZUIYBX-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN Cn1nnc2cc(-c3ccc4cncn4c3)ccc21 ZINC001245896048 987107809 /nfs/dbraw/zinc/10/78/09/987107809.db2.gz IAFPMSRAYNMXAU-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1nc2cc(-c3ccc4cncn4c3)ncc2[nH]1 ZINC001245895881 987110810 /nfs/dbraw/zinc/11/08/10/987110810.db2.gz IQZGXAFLRREINN-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cc1nccnc1-c1ccc2cncn2c1 ZINC001245894769 987113358 /nfs/dbraw/zinc/11/33/58/987113358.db2.gz LMXOKJSLUYBKGQ-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1ncnc(-c2ccc3cncn3c2)c1C ZINC001245896979 987118312 /nfs/dbraw/zinc/11/83/12/987118312.db2.gz WYQXAANYVODWCZ-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN c1ncn2cc(-c3ncc4c(n3)CCC4)ccc12 ZINC001245896678 987119957 /nfs/dbraw/zinc/11/99/57/987119957.db2.gz UYZMZDLWOKUUKE-UHFFFAOYSA-N 0 1 236.278 2.280 20 0 BEADMN CC(C)c1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001245917700 987134029 /nfs/dbraw/zinc/13/40/29/987134029.db2.gz PAFVZTMEFSBGMD-UHFFFAOYSA-N 0 1 217.272 2.155 20 0 BEADMN CCc1cc(=O)n(-c2nc(C)c(C)s2)[nH]1 ZINC001245916901 987141566 /nfs/dbraw/zinc/14/15/66/987141566.db2.gz CCNRCDWEAWSRDR-UHFFFAOYSA-N 0 1 223.301 2.214 20 0 BEADMN CCc1cc(=O)n(-c2ccc(Cl)nc2)[nH]1 ZINC001245916338 987146322 /nfs/dbraw/zinc/14/63/22/987146322.db2.gz FZQCOZAVYPCUKH-UHFFFAOYSA-N 0 1 223.663 2.189 20 0 BEADMN CCc1ncc(CNC(=O)CC[C@@H](C)CC)[nH]1 ZINC001472021216 987155871 /nfs/dbraw/zinc/15/58/71/987155871.db2.gz SPPGXATVQJHBEL-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CCc1cc(=O)n(CCOc2ccccc2)[nH]1 ZINC001245918570 987159662 /nfs/dbraw/zinc/15/96/62/987159662.db2.gz ZMVJVSZLYWVIJV-UHFFFAOYSA-N 0 1 232.283 2.230 20 0 BEADMN CCCc1cc(=O)n(-c2cccnc2F)[nH]1 ZINC001245925239 987173314 /nfs/dbraw/zinc/17/33/14/987173314.db2.gz QKCNGERIDVCWEX-UHFFFAOYSA-N 0 1 221.235 2.065 20 0 BEADMN CCCc1cc(=O)n(-c2ccc(F)nc2)[nH]1 ZINC001245925235 987176123 /nfs/dbraw/zinc/17/61/23/987176123.db2.gz QICLCLAWTAYOEN-UHFFFAOYSA-N 0 1 221.235 2.065 20 0 BEADMN Cc1occc1C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001472092126 987178253 /nfs/dbraw/zinc/17/82/53/987178253.db2.gz GGROXQLPZHNOEK-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CCCCc1cc(=O)n(-c2cccnc2)[nH]1 ZINC001245927182 987181647 /nfs/dbraw/zinc/18/16/47/987181647.db2.gz QJOUGTBNSSYBOC-UHFFFAOYSA-N 0 1 217.272 2.316 20 0 BEADMN Cc1cc(=O)n(CCc2ccccc2)[nH]1 ZINC001245927735 987187156 /nfs/dbraw/zinc/18/71/56/987187156.db2.gz FQBNZJHVQKJEKE-UHFFFAOYSA-N 0 1 202.257 2.140 20 0 BEADMN Cc1cc(=O)n([C@@H]2CCc3ccccc32)[nH]1 ZINC001245928181 987189483 /nfs/dbraw/zinc/18/94/83/987189483.db2.gz PVKJGXQMSOEBBO-GFCCVEGCSA-N 0 1 214.268 2.433 20 0 BEADMN COc1ccc(-n2[nH]c(C(C)(C)C)cc2=O)cn1 ZINC001245929278 987192943 /nfs/dbraw/zinc/19/29/43/987192943.db2.gz IDPLVTRKQDDGMP-UHFFFAOYSA-N 0 1 247.298 2.279 20 0 BEADMN O=c1cc(CC2CCCCC2)[nH]n1CCCO ZINC001245940091 987210005 /nfs/dbraw/zinc/21/00/05/987210005.db2.gz SPMKDYCOMUOQPD-UHFFFAOYSA-N 0 1 238.331 2.094 20 0 BEADMN CC(=N)N1N=C(c2ccc(N(C)C)cc2)CC1=O ZINC001245945188 987218094 /nfs/dbraw/zinc/21/80/94/987218094.db2.gz WKPRFYAWDNBEOF-UHFFFAOYSA-N 0 1 244.298 2.167 20 0 BEADMN CCCCCc1cc(=O)n(C[C@@H](O)CC)[nH]1 ZINC001245942046 987219732 /nfs/dbraw/zinc/21/97/32/987219732.db2.gz CFLOSZGPJHMVKZ-NSHDSACASA-N 0 1 226.320 2.092 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCOC(C)(C)C1 ZINC001256409529 987220547 /nfs/dbraw/zinc/22/05/47/987220547.db2.gz LPKYCRGABKHCKQ-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1COCCN1[C@H](C)Cc1ccccn1 ZINC001256422772 987225144 /nfs/dbraw/zinc/22/51/44/987225144.db2.gz WIBKFYHWUWJLJB-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)N1N=C(c2ccccc2N)CC1=O ZINC001245946437 987226211 /nfs/dbraw/zinc/22/62/11/987226211.db2.gz YNVOZIDDAOOGMZ-UHFFFAOYSA-N 0 1 217.272 2.419 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1Cc1cccc(O)c1 ZINC001245953644 987243069 /nfs/dbraw/zinc/24/30/69/987243069.db2.gz UFUVZACQEDCBFS-UHFFFAOYSA-N 0 1 244.294 2.295 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc([C@@H]2CCCc3[nH]cnc32)o1 ZINC001256661077 987261764 /nfs/dbraw/zinc/26/17/64/987261764.db2.gz YWNZMIWOQHGKPN-HLTSFMKQSA-N 0 1 244.298 2.384 20 0 BEADMN c1cc2c(ncnc2SCc2nnc[nH]2)s1 ZINC001472932829 987304883 /nfs/dbraw/zinc/30/48/83/987304883.db2.gz RIUFYVQJDWSGKN-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN c1n[nH]nc1SCCc1noc2ccccc12 ZINC001472995921 987312157 /nfs/dbraw/zinc/31/21/57/987312157.db2.gz FVDRANZYJXOBGN-UHFFFAOYSA-N 0 1 246.295 2.281 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CCCC2(CC2)C1 ZINC000695118370 987328816 /nfs/dbraw/zinc/32/88/16/987328816.db2.gz HKEJGTBCMILCCD-UHFFFAOYSA-N 0 1 235.283 2.354 20 0 BEADMN CCCN(CC(=O)OCC)CC1CC(C)C1 ZINC001473122962 987340841 /nfs/dbraw/zinc/34/08/41/987340841.db2.gz ROMGIXWXGXJKOP-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN C/C(=C\C[N@@H+]1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000696414783 987342649 /nfs/dbraw/zinc/34/26/49/987342649.db2.gz GCSCTLSNQWDEMC-QZGLAHODSA-N 0 1 233.258 2.137 20 0 BEADMN Cc1ccc(C[C@@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001473177311 987357720 /nfs/dbraw/zinc/35/77/20/987357720.db2.gz BTSRHGMZTNOJDW-GFCCVEGCSA-N 0 1 244.342 2.176 20 0 BEADMN COc1nscc1CN1C[C@H](C)[C@H](C)C1 ZINC001473184373 987364263 /nfs/dbraw/zinc/36/42/63/987364263.db2.gz JLKLVPRMNZIJIY-DTORHVGOSA-N 0 1 226.345 2.240 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H](C)c2ccco2)n1 ZINC001116126548 987451625 /nfs/dbraw/zinc/45/16/25/987451625.db2.gz RZEIQVAKXOVMEW-MRVPVSSYSA-N 0 1 248.286 2.263 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H](C)c2ccco2)n[nH]1 ZINC001116126548 987451630 /nfs/dbraw/zinc/45/16/30/987451630.db2.gz RZEIQVAKXOVMEW-MRVPVSSYSA-N 0 1 248.286 2.263 20 0 BEADMN CCCCCCN1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC001473600596 987498033 /nfs/dbraw/zinc/49/80/33/987498033.db2.gz TYTNXSKHYLKEDQ-IJLUTSLNSA-N 0 1 226.364 2.164 20 0 BEADMN CCC[C@H](C)N1CCN(CC(C)(F)F)CC1 ZINC001473828628 987569536 /nfs/dbraw/zinc/56/95/36/987569536.db2.gz DDUAVIBTEHXADG-NSHDSACASA-N 0 1 234.334 2.448 20 0 BEADMN C[C@@]1(NCC2=NOCC2)CCOc2ccccc21 ZINC001473823508 987570342 /nfs/dbraw/zinc/57/03/42/987570342.db2.gz JBILEUNJYAKJBB-CQSZACIVSA-N 0 1 246.310 2.050 20 0 BEADMN Cc1cc(CNc2ccc([S@@](C)=O)cc2)n[nH]1 ZINC001116448778 987582208 /nfs/dbraw/zinc/58/22/08/987582208.db2.gz DQZNXFPUSMZGSE-QGZVFWFLSA-N 0 1 249.339 2.068 20 0 BEADMN CCC[C@H]1CCCN1CC(=O)OCC(C)C ZINC001473859176 987589082 /nfs/dbraw/zinc/58/90/82/987589082.db2.gz YWTKAQFQZVCSLF-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCc1[nH]c(C[N@H+]2C[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC001597385275 987595022 /nfs/dbraw/zinc/59/50/22/987595022.db2.gz RNFDQWKIJRYTDK-RKDXNWHRSA-N 0 1 236.315 2.116 20 0 BEADMN C[C@H]1C[C@H](N[C@H]2CCNCC2(F)F)C[C@@H](C)C1 ZINC001246214651 987609167 /nfs/dbraw/zinc/60/91/67/987609167.db2.gz VKEXAWVUZRVTAX-QCNOEVLYSA-N 0 1 246.345 2.398 20 0 BEADMN C[C@H]1CC(N[C@@H]2CCNCC2(F)F)C[C@H](C)C1 ZINC001246214644 987610286 /nfs/dbraw/zinc/61/02/86/987610286.db2.gz VKEXAWVUZRVTAX-CKYFFXLPSA-N 0 1 246.345 2.398 20 0 BEADMN Cc1cc(C)c2c(c1)CCN(CC1OCCO1)C2 ZINC001473905087 987611010 /nfs/dbraw/zinc/61/10/10/987611010.db2.gz NMWSNAOXLFBKPG-UHFFFAOYSA-N 0 1 247.338 2.034 20 0 BEADMN CCc1[nH]c(C[N@H+]2CCC[C@H]2C)cc1C(=O)[O-] ZINC001597387026 987611800 /nfs/dbraw/zinc/61/18/00/987611800.db2.gz UKDCLLHQCBTALG-SECBINFHSA-N 0 1 236.315 2.260 20 0 BEADMN Cn1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC001474009808 987630787 /nfs/dbraw/zinc/63/07/87/987630787.db2.gz HRUGNYLQOHRKMG-UKRRQHHQSA-N 0 1 241.338 2.141 20 0 BEADMN Cc1cc(CNc2nnc(C(C)(C)C)o2)n[nH]1 ZINC001116592869 987637854 /nfs/dbraw/zinc/63/78/54/987637854.db2.gz GAPHYUVLKCEQJO-UHFFFAOYSA-N 0 1 235.291 2.011 20 0 BEADMN CC1(C)C[C@H]1c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116590956 987638122 /nfs/dbraw/zinc/63/81/22/987638122.db2.gz LSAYETADXQUHAG-QWRGUYRKSA-N 0 1 247.342 2.392 20 0 BEADMN CN(C)c1nc(N[C@H]2CCCC(C)(C)C2)n[nH]1 ZINC001474140782 987645788 /nfs/dbraw/zinc/64/57/88/987645788.db2.gz PENQMTZLOJWFQR-VIFPVBQESA-N 0 1 237.351 2.251 20 0 BEADMN c1nc(CNCc2cc3ccccc3[nH]2)c[nH]1 ZINC001474145250 987649636 /nfs/dbraw/zinc/64/96/36/987649636.db2.gz LICTUIUJYPDPDE-UHFFFAOYSA-N 0 1 226.283 2.181 20 0 BEADMN CCCCC[C@H](C)NC1(C(F)(F)F)CNC1 ZINC001246254143 987652719 /nfs/dbraw/zinc/65/27/19/987652719.db2.gz PFIOMRGFVGBNCD-VIFPVBQESA-N 0 1 238.297 2.449 20 0 BEADMN Cc1ccc(NCCNCc2cnsc2)nc1 ZINC001474277183 987673330 /nfs/dbraw/zinc/67/33/30/987673330.db2.gz AMNALZGTZUWINQ-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN CCn1ccc(CN2CCSCC[C@@H]2C)n1 ZINC001474443379 987722691 /nfs/dbraw/zinc/72/26/91/987722691.db2.gz SHCJVFVTZQRUTQ-NSHDSACASA-N 0 1 239.388 2.230 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1ncccc1F ZINC001474594311 987774612 /nfs/dbraw/zinc/77/46/12/987774612.db2.gz GGWATXYOPPUJNG-MNOVXSKESA-N 0 1 240.322 2.107 20 0 BEADMN Fc1ccc(/C=C/CNCc2ncc[nH]2)cc1F ZINC001474653778 987790952 /nfs/dbraw/zinc/79/09/52/987790952.db2.gz GZTVSQLLZZTWEX-OWOJBTEDSA-N 0 1 249.264 2.491 20 0 BEADMN c1snnc1CNC[C@H]1C[C@@H]1C1CCCC1 ZINC001474754912 987819612 /nfs/dbraw/zinc/81/96/12/987819612.db2.gz FAEGALPGDRVSFP-ZYHUDNBSSA-N 0 1 237.372 2.454 20 0 BEADMN Cc1cnn(C)c1CN1CC(C)(C)C1(C)C ZINC001117616324 987848291 /nfs/dbraw/zinc/84/82/91/987848291.db2.gz CEKUQMHFEJGDIA-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1ccccc1-n1cc(CNC2(C)CC2)nn1 ZINC001117577059 987849306 /nfs/dbraw/zinc/84/93/06/987849306.db2.gz QDOVOZZQGUDQRN-UHFFFAOYSA-N 0 1 242.326 2.218 20 0 BEADMN Cc1c[nH]nc1CN1CC(C)(C)C1(C)C ZINC001117641718 987851600 /nfs/dbraw/zinc/85/16/00/987851600.db2.gz IFMXVAXVPYMDRQ-UHFFFAOYSA-N 0 1 207.321 2.339 20 0 BEADMN CS[C@@H]1CC[C@@H](N(C)Cc2ccon2)C1 ZINC001117668666 987858081 /nfs/dbraw/zinc/85/80/81/987858081.db2.gz NTQBAIYUYBBTEI-GHMZBOCLSA-N 0 1 226.345 2.391 20 0 BEADMN CCCc1nc(C)c(CNCc2cc(C)[nH]n2)o1 ZINC001117681463 987861927 /nfs/dbraw/zinc/86/19/27/987861927.db2.gz PHVXKEXPFWRLOW-UHFFFAOYSA-N 0 1 248.330 2.257 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001594874955 987869332 /nfs/dbraw/zinc/86/93/32/987869332.db2.gz VRBXIVYHQMGLNB-QCLAVDOMSA-N 0 1 247.285 2.073 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCCC[C@@H]3C2)[nH]1 ZINC001117720548 987876587 /nfs/dbraw/zinc/87/65/87/987876587.db2.gz SVLFLQMMAZGNCO-VXGBXAGGSA-N 0 1 234.347 2.125 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001594960548 987893108 /nfs/dbraw/zinc/89/31/08/987893108.db2.gz HRDOWJDXZWUVCH-IUCAKERBSA-N 0 1 240.303 2.412 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001594960770 987893193 /nfs/dbraw/zinc/89/31/93/987893193.db2.gz MKKKDYQNEJQXDI-VIFPVBQESA-N 0 1 238.331 2.499 20 0 BEADMN COCCN(Cc1cc(C)[nH]n1)c1ccccc1 ZINC001117789323 987915152 /nfs/dbraw/zinc/91/51/52/987915152.db2.gz IVFSASILEZWCRC-UHFFFAOYSA-N 0 1 245.326 2.371 20 0 BEADMN CS[C@H]1CC[C@H]([N@H+](C)Cc2c[nH]cn2)C1 ZINC001321560207 987942703 /nfs/dbraw/zinc/94/27/03/987942703.db2.gz YBWZRPHOBYYXTF-QWRGUYRKSA-N 0 1 225.361 2.126 20 0 BEADMN Cc1cc(CNCc2cccc(N(C)C)c2)[nH]n1 ZINC001321653373 987962386 /nfs/dbraw/zinc/96/23/86/987962386.db2.gz ILLMMMXUVHZWKF-UHFFFAOYSA-N 0 1 244.342 2.074 20 0 BEADMN Cc1n[nH]c(C)c1CNc1nccn1C1CC1 ZINC001117944389 987964281 /nfs/dbraw/zinc/96/42/81/987964281.db2.gz IDRVJTGKBMNECJ-UHFFFAOYSA-N 0 1 231.303 2.170 20 0 BEADMN CC(C)(C)[C@H]1CSCC[N@H+]1CCCC(=O)[O-] ZINC001589734241 987978085 /nfs/dbraw/zinc/97/80/85/987978085.db2.gz FQRMEHHHHTXQMD-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CCCN(CCF)CCNC(=O)[C@@H](C)C(C)C ZINC001493317126 988073363 /nfs/dbraw/zinc/07/33/63/988073363.db2.gz VLEBYOFAQPQWGX-LBPRGKRZSA-N 0 1 246.370 2.076 20 0 BEADMN Fc1ccccc1C1(NCc2nnc[nH]2)CCC1 ZINC001118501830 988400860 /nfs/dbraw/zinc/40/08/60/988400860.db2.gz ZCRVZHCMVRAKLR-UHFFFAOYSA-N 0 1 246.289 2.113 20 0 BEADMN c1nn2c(c1CN1CC3(C1)CCCC3)CCC2 ZINC001118577203 988464200 /nfs/dbraw/zinc/46/42/00/988464200.db2.gz BTAARBFDYDDIHH-UHFFFAOYSA-N 0 1 231.343 2.205 20 0 BEADMN CCCCC(=O)N[C@@H](C)CN(C)C[C@H](F)CC ZINC001498227044 988466820 /nfs/dbraw/zinc/46/68/20/988466820.db2.gz KNYHDAQCRBJWOV-NWDGAFQWSA-N 0 1 246.370 2.361 20 0 BEADMN Clc1cnc(CSCc2nnc[nH]2)s1 ZINC001118597117 988471825 /nfs/dbraw/zinc/47/18/25/988471825.db2.gz IWSZPIZCHOLUNV-UHFFFAOYSA-N 0 1 246.748 2.348 20 0 BEADMN Cc1cccnc1CN1CCCc2n[nH]cc2C1 ZINC001118629481 988485310 /nfs/dbraw/zinc/48/53/10/988485310.db2.gz FSRTVAXZTBKSND-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN CCCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC001323485537 988537752 /nfs/dbraw/zinc/53/77/52/988537752.db2.gz KMVGZLIVQUHVDJ-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC1CCN(CC(=O)NCC(C)C)CC1 ZINC001323485570 988537966 /nfs/dbraw/zinc/53/79/66/988537966.db2.gz KVJVPBALZRZJNF-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN C[C@@H]1CC[C@H](N2CC[C@@H](N)C(F)(F)C2)C[C@@H]1C ZINC001246839882 988549374 /nfs/dbraw/zinc/54/93/74/988549374.db2.gz ZWSAGFYHCGDJNC-NOOOWODRSA-N 0 1 246.345 2.479 20 0 BEADMN CCN(CC(F)F)C(=O)c1cnc(C2CC2)[nH]1 ZINC001323830673 988625065 /nfs/dbraw/zinc/62/50/65/988625065.db2.gz SIVBYRPKLFBBPC-UHFFFAOYSA-N 0 1 243.257 2.014 20 0 BEADMN CS[C@H]1CC[C@H](N(C)Cc2n[nH]cc2C)C1 ZINC001323936021 988653355 /nfs/dbraw/zinc/65/33/55/988653355.db2.gz OAIIRXVMPCKLBT-QWRGUYRKSA-N 0 1 239.388 2.434 20 0 BEADMN Cc1cc(CN[C@H]2c3ccccc3O[C@@H]2C)[nH]n1 ZINC001324034512 988672945 /nfs/dbraw/zinc/67/29/45/988672945.db2.gz KZKGYFAQHCEMKU-QMTHXVAHSA-N 0 1 243.310 2.330 20 0 BEADMN CC[C@@H](C)[C@@H]([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC001118980158 988744942 /nfs/dbraw/zinc/74/49/42/988744942.db2.gz YBAANNIHUHKYTP-GMSGAONNSA-N 0 1 242.344 2.040 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@]23C[C@H]2CCCC3)n1 ZINC001118983253 988771007 /nfs/dbraw/zinc/77/10/07/988771007.db2.gz BSUJQXHWHPLSRW-NOZJJQNGSA-N 0 1 248.330 2.447 20 0 BEADMN CC(C)c1nc(NC(=O)[C@]23C[C@H]2CCCC3)n[nH]1 ZINC001118983253 988771018 /nfs/dbraw/zinc/77/10/18/988771018.db2.gz BSUJQXHWHPLSRW-NOZJJQNGSA-N 0 1 248.330 2.447 20 0 BEADMN C[N@@H+](Cc1cccn1C1CC1)CC1(O)CCC1 ZINC001324367899 988816820 /nfs/dbraw/zinc/81/68/20/988816820.db2.gz AGAJYWXQISKNKW-UHFFFAOYSA-N 0 1 234.343 2.170 20 0 BEADMN OCCCc1nc2cc(F)cc(Cl)c2[nH]1 ZINC001247010318 988835086 /nfs/dbraw/zinc/83/50/86/988835086.db2.gz GYOPAEVCXQUGHZ-UHFFFAOYSA-N 0 1 228.654 2.280 20 0 BEADMN OCCCCc1nc2c([nH]1)c(F)c(F)cc2F ZINC001247015515 988838158 /nfs/dbraw/zinc/83/81/58/988838158.db2.gz SAABNABFHACBEX-UHFFFAOYSA-N 0 1 244.216 2.295 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cc(C)n[nH]2)C12CCC2 ZINC001324439371 988841706 /nfs/dbraw/zinc/84/17/06/988841706.db2.gz VWSAHNBHPDYWKE-OLZOCXBDSA-N 0 1 249.358 2.108 20 0 BEADMN Cc1c(F)cccc1-c1noc(C2CN(C)C2)n1 ZINC001247371973 988860866 /nfs/dbraw/zinc/86/08/66/988860866.db2.gz ICXUAINQJFPDJB-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN Cc1nccnc1CN1CC(C)(C)C1(C)C ZINC001119247970 988860868 /nfs/dbraw/zinc/86/08/68/988860868.db2.gz BZGUFEWBMFMIPU-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN CNCc1nc(-c2cc(C)cc(F)c2F)no1 ZINC001247432350 988886014 /nfs/dbraw/zinc/88/60/14/988886014.db2.gz XKXSRJIXGFLYJT-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CNCc1nc(-c2cccc3ccncc32)no1 ZINC001247431981 988886045 /nfs/dbraw/zinc/88/60/45/988886045.db2.gz PJVPNNLECCCMKG-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN Cc1cncc(-c2noc(C3(N)CCCC3)n2)c1 ZINC001247501969 988899281 /nfs/dbraw/zinc/89/92/81/988899281.db2.gz RYUPTPQMHMVSOF-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN C[C@@H](NCc1csnn1)[C@@H]1C[C@H]1C1CC1 ZINC001119304255 988915100 /nfs/dbraw/zinc/91/51/00/988915100.db2.gz QXGNRZXLNVPFBR-GGVZMXCHSA-N 0 1 223.345 2.062 20 0 BEADMN CN(Cc1cccn1C1CC1)C[C@H]1CCCO1 ZINC001324661195 988916629 /nfs/dbraw/zinc/91/66/29/988916629.db2.gz SVGFPBHFPMEDSE-CQSZACIVSA-N 0 1 234.343 2.434 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)[C@H](C)C1 ZINC001599848050 988966629 /nfs/dbraw/zinc/96/66/29/988966629.db2.gz CZUMTHMVDZJYQJ-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN CCCC(C)=CC(=O)NCc1n[nH]c(C2CC2)n1 ZINC001324763862 988972621 /nfs/dbraw/zinc/97/26/21/988972621.db2.gz SQJIHGHFZPUJPU-VQHVLOKHSA-N 0 1 248.330 2.045 20 0 BEADMN F[C@H]1CNC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC001247783392 989022645 /nfs/dbraw/zinc/02/26/45/989022645.db2.gz IZXKYXNFCPVNFX-GHMZBOCLSA-N 0 1 247.273 2.152 20 0 BEADMN OCC12CCC(CC1)[N@H+]2Cc1ccccc1F ZINC000722991121 989062445 /nfs/dbraw/zinc/06/24/45/989062445.db2.gz ZALHFWXBTAFLMX-UHFFFAOYSA-N 0 1 235.302 2.315 20 0 BEADMN C[C@H](c1nc(-c2ccncc2)no1)N1CCCC1 ZINC001248122487 989079014 /nfs/dbraw/zinc/07/90/14/989079014.db2.gz LWALCTUPUZENQG-SNVBAGLBSA-N 0 1 244.298 2.288 20 0 BEADMN C[C@@H](c1nc(-c2ccccn2)no1)N1CCCC1 ZINC001248123752 989079384 /nfs/dbraw/zinc/07/93/84/989079384.db2.gz YNQCIGFHKQTHGH-JTQLQIEISA-N 0 1 244.298 2.288 20 0 BEADMN CN[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC001248205787 989081205 /nfs/dbraw/zinc/08/12/05/989081205.db2.gz NCHOCXOVVDPHEM-SNVBAGLBSA-N 0 1 232.287 2.048 20 0 BEADMN Cc1cc(C)cc(-c2noc([C@H]3CCN3)n2)c1 ZINC001248286476 989093144 /nfs/dbraw/zinc/09/31/44/989093144.db2.gz ZXDDZLKLUVECDM-LLVKDONJSA-N 0 1 229.283 2.388 20 0 BEADMN C[C@@H](CC(C)(C)C)Nc1nccnc1CN ZINC001515806295 989119870 /nfs/dbraw/zinc/11/98/70/989119870.db2.gz VRXAWFBWHLXLCR-VIFPVBQESA-N 0 1 222.336 2.172 20 0 BEADMN Cc1noc2ccc(CN3CCCOCC3)cc12 ZINC001248687326 989123811 /nfs/dbraw/zinc/12/38/11/989123811.db2.gz QZDILXKNHCMWPF-UHFFFAOYSA-N 0 1 246.310 2.359 20 0 BEADMN OCc1cc(Nc2cc3cccnc3[nH]2)ccn1 ZINC001248703427 989131473 /nfs/dbraw/zinc/13/14/73/989131473.db2.gz OGPXBJMYEPAUBP-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1ncc(Nc2cc3cccnc3[nH]2)n1C ZINC001248706658 989134435 /nfs/dbraw/zinc/13/44/35/989134435.db2.gz CKMHBCSQENOPLH-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1c(F)cccc1-c1noc([C@]2(C)CCN2)n1 ZINC001248721582 989137054 /nfs/dbraw/zinc/13/70/54/989137054.db2.gz KOGMWYUTXJYARV-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1cc(F)ccc1-c1noc([C@@]2(C)CCN2)n1 ZINC001248721550 989138102 /nfs/dbraw/zinc/13/81/02/989138102.db2.gz JHDIOYROQMOELN-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN C[C@@H](NC/C=C/C1CC1)c1cc2n(n1)CCC2 ZINC001325288873 989145167 /nfs/dbraw/zinc/14/51/67/989145167.db2.gz KWRUEXUXRHWKLI-JRBALWBOSA-N 0 1 231.343 2.446 20 0 BEADMN CC1(C)CN(Cc2ccc3n2CCC3)C1 ZINC001248821220 989177088 /nfs/dbraw/zinc/17/70/88/989177088.db2.gz SGIVMVNABCYMTM-UHFFFAOYSA-N 0 1 204.317 2.276 20 0 BEADMN C=C/C=C\CCOC(=O)c1[nH]cnc1C ZINC001516934405 989184395 /nfs/dbraw/zinc/18/43/95/989184395.db2.gz NDZFPNQYFDVRBD-PLNGDYQASA-N 0 1 206.245 2.007 20 0 BEADMN Cc1ccc2nc(CN3CCC3)[nH]c2c1 ZINC001248839752 989192358 /nfs/dbraw/zinc/19/23/58/989192358.db2.gz WSZDRLCWTGUWRT-UHFFFAOYSA-N 0 1 201.273 2.077 20 0 BEADMN Cc1ccc2nc(CN(C)[C@@H]3CCOC3)[nH]c2c1 ZINC001248842190 989192958 /nfs/dbraw/zinc/19/29/58/989192958.db2.gz JXQYLBXVZJBGAQ-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1cc(C)nc(CN2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC001248972463 989235364 /nfs/dbraw/zinc/23/53/64/989235364.db2.gz KQNQQMKUYBALGC-TXEJJXNPSA-N 0 1 231.343 2.181 20 0 BEADMN CCCCNCc1nc(-c2ccnc(C)c2)no1 ZINC001249026141 989238303 /nfs/dbraw/zinc/23/83/03/989238303.db2.gz WRYVANIJIGVQEU-UHFFFAOYSA-N 0 1 246.314 2.330 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H]1C=CCC1 ZINC001517837908 989252473 /nfs/dbraw/zinc/25/24/73/989252473.db2.gz ZEOHKRSJEUAZFO-NWDGAFQWSA-N 0 1 223.316 2.121 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)O[C@H]1C=CCC1 ZINC001517837908 989252478 /nfs/dbraw/zinc/25/24/78/989252478.db2.gz ZEOHKRSJEUAZFO-NWDGAFQWSA-N 0 1 223.316 2.121 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC001325783080 989258288 /nfs/dbraw/zinc/25/82/88/989258288.db2.gz UDLWIDVZLSQHED-OPRDCNLKSA-N 0 1 248.330 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)n[nH]1 ZINC001325783080 989258298 /nfs/dbraw/zinc/25/82/98/989258298.db2.gz UDLWIDVZLSQHED-OPRDCNLKSA-N 0 1 248.330 2.303 20 0 BEADMN CCNCc1nc(-c2ccc(C)c(C)c2)no1 ZINC001249132997 989259987 /nfs/dbraw/zinc/25/99/87/989259987.db2.gz NWUZPTDBPVQZBQ-UHFFFAOYSA-N 0 1 231.299 2.463 20 0 BEADMN CC(C)[C@H](c1nc(-c2ccncc2)no1)N(C)C ZINC001249199476 989264377 /nfs/dbraw/zinc/26/43/77/989264377.db2.gz PZFQJGMMCFCUDT-LLVKDONJSA-N 0 1 246.314 2.390 20 0 BEADMN CC(C)C[C@@](C)(N)c1nc(-c2cccnc2)no1 ZINC001249285951 989267742 /nfs/dbraw/zinc/26/77/42/989267742.db2.gz UCMVNIURCOHUKO-CYBMUJFWSA-N 0 1 246.314 2.352 20 0 BEADMN COc1ccc2[nH]c(CN3CC[C@H](C)C3)nc2c1 ZINC001249412094 989277996 /nfs/dbraw/zinc/27/79/96/989277996.db2.gz UKMVIYDFKAELPA-JTQLQIEISA-N 0 1 245.326 2.413 20 0 BEADMN CC1(C)C2CCC1(C(=O)OCc1c[nH]nn1)CC2 ZINC001518653951 989330096 /nfs/dbraw/zinc/33/00/96/989330096.db2.gz UFUNHZQFDQGXEB-UHFFFAOYSA-N 0 1 249.314 2.064 20 0 BEADMN CCn1nc(C)c([C@H](C)NCCCC(F)F)n1 ZINC001119709594 989353153 /nfs/dbraw/zinc/35/31/53/989353153.db2.gz TUODYNTYYCBGOY-QMMMGPOBSA-N 0 1 246.305 2.302 20 0 BEADMN CC[C@@H](CO)NC1(c2nc(C)cs2)CCC1 ZINC001119732536 989375866 /nfs/dbraw/zinc/37/58/66/989375866.db2.gz MAYYVIFAEPTDAS-JTQLQIEISA-N 0 1 240.372 2.191 20 0 BEADMN CC(C)OC[C@H]1CN(CC2CC(C)C2)CCO1 ZINC001119741139 989381144 /nfs/dbraw/zinc/38/11/44/989381144.db2.gz AQFSCSXBAAHISN-JXQTWKCFSA-N 0 1 241.375 2.158 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@@H]2C[C@@H]21 ZINC001119770598 989391690 /nfs/dbraw/zinc/39/16/90/989391690.db2.gz JAGPZIXTLBGWQY-YIZRAAEISA-N 0 1 209.318 2.002 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC2(CC2)CC1 ZINC001119771463 989394048 /nfs/dbraw/zinc/39/40/48/989394048.db2.gz NICMUVMJRTXKKR-NSHDSACASA-N 0 1 217.316 2.414 20 0 BEADMN Cc1coc(-c2nc([C@H]3CCCN3)no2)c1C ZINC001326173887 989408332 /nfs/dbraw/zinc/40/83/32/989408332.db2.gz VDTWAGUAIVZGPM-SECBINFHSA-N 0 1 233.271 2.371 20 0 BEADMN CCn1cc(CN2CC[C@@]3(CC[C@H](C)C3)C2)nn1 ZINC001119806454 989412302 /nfs/dbraw/zinc/41/23/02/989412302.db2.gz RVNXDGWTWXEAOX-GXTWGEPZSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@H]1C[C@H]1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001519560545 989429908 /nfs/dbraw/zinc/42/99/08/989429908.db2.gz OYTZLQAAYGZVMF-NTSWFWBYSA-N 0 1 248.204 2.128 20 0 BEADMN CC(C)[C@H](N)c1noc(C[C@@H]2C=CCC2)n1 ZINC001326236139 989436722 /nfs/dbraw/zinc/43/67/22/989436722.db2.gz DEUHSMVXVLMAPZ-KOLCDFICSA-N 0 1 221.304 2.234 20 0 BEADMN CC[C@H](C(=O)Nc1cccnc1C1CC1)N(C)C ZINC001119919411 989476015 /nfs/dbraw/zinc/47/60/15/989476015.db2.gz HACMYKLBTOXLSH-GFCCVEGCSA-N 0 1 247.342 2.238 20 0 BEADMN CC(C)CCCCN1CCOC[C@@]12CCOC2 ZINC001119968123 989519552 /nfs/dbraw/zinc/51/95/52/989519552.db2.gz SYRPNPPXNIUGGB-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001120018115 989567236 /nfs/dbraw/zinc/56/72/36/989567236.db2.gz MNUBDTXENDWXNH-RISCZKNCSA-N 0 1 247.338 2.231 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H](C)C2CCCC2)c1C ZINC001520554023 989576257 /nfs/dbraw/zinc/57/62/57/989576257.db2.gz LGXAJPIUOOTFBU-SNVBAGLBSA-N 0 1 249.358 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H](C)C2CCCC2)c1C ZINC001520554022 989577406 /nfs/dbraw/zinc/57/74/06/989577406.db2.gz LGXAJPIUOOTFBU-JTQLQIEISA-N 0 1 249.358 2.469 20 0 BEADMN COc1cccc(F)c1CNCc1[nH]ncc1C ZINC001120071766 989586796 /nfs/dbraw/zinc/58/67/96/989586796.db2.gz WSTXGBWVEGLWCL-UHFFFAOYSA-N 0 1 249.289 2.156 20 0 BEADMN Cc1cc(CN2CCC[C@H](OC(C)C)C2)[nH]n1 ZINC001326519056 989596463 /nfs/dbraw/zinc/59/64/63/989596463.db2.gz MFKSMCICJFBVOC-ZDUSSCGKSA-N 0 1 237.347 2.108 20 0 BEADMN Cc1cc(CN2CCC[C@H](OC(C)C)C2)n[nH]1 ZINC001326519056 989596468 /nfs/dbraw/zinc/59/64/68/989596468.db2.gz MFKSMCICJFBVOC-ZDUSSCGKSA-N 0 1 237.347 2.108 20 0 BEADMN CC(C)(O)C1CN(Cc2cccn2C2CC2)C1 ZINC001326786928 989709285 /nfs/dbraw/zinc/70/92/85/989709285.db2.gz NVPVCYWCTKMXDN-UHFFFAOYSA-N 0 1 234.343 2.026 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@@H]2CC23CCCC3)c1C ZINC001521893907 989812852 /nfs/dbraw/zinc/81/28/52/989812852.db2.gz OGQMSKBZNFUAJZ-NSHDSACASA-N 0 1 247.342 2.223 20 0 BEADMN Nc1nccc(NCC2(C3CCC3)CCC2)n1 ZINC001120856458 989923933 /nfs/dbraw/zinc/92/39/33/989923933.db2.gz DZDUQPIAEQEYQV-UHFFFAOYSA-N 0 1 232.331 2.441 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1c1nccnc1CN ZINC001120856139 989924087 /nfs/dbraw/zinc/92/40/87/989924087.db2.gz NSTTZSKULOZIPP-DGCLKSJQSA-N 0 1 248.374 2.052 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1c1nccnc1CN ZINC001120938282 989977638 /nfs/dbraw/zinc/97/76/38/989977638.db2.gz NPZRJKMCVLOFRH-CQSZACIVSA-N 0 1 248.374 2.340 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CC[C@H](C)CC2)c1C ZINC001528837081 990316396 /nfs/dbraw/zinc/31/63/96/990316396.db2.gz MFCYJDFNDQSORF-OTCDBFHCSA-N 0 1 249.358 2.469 20 0 BEADMN Cc1cc(C(=O)NCc2n[nH]c(C)c2C)oc1C ZINC001528847209 990317548 /nfs/dbraw/zinc/31/75/48/990317548.db2.gz FGOKIOQJROIPTJ-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001604924022 990368867 /nfs/dbraw/zinc/36/88/67/990368867.db2.gz LVKITZLTTOZUGV-IQJOONFLSA-N 0 1 247.285 2.217 20 0 BEADMN CCC(CC)COC(=O)c1[nH]cnc1C ZINC001122994762 990484962 /nfs/dbraw/zinc/48/49/62/990484962.db2.gz HZKWAJPOEHJRBA-UHFFFAOYSA-N 0 1 210.277 2.311 20 0 BEADMN CCC[C@@H](C)CCOC(=O)CCc1nc[nH]n1 ZINC001123102951 990508709 /nfs/dbraw/zinc/50/87/09/990508709.db2.gz GQBSRKOEQLXKLN-SNVBAGLBSA-N 0 1 239.319 2.107 20 0 BEADMN C[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001538713046 990542959 /nfs/dbraw/zinc/54/29/59/990542959.db2.gz OMXDCXDIOZUVSJ-MRVPVSSYSA-N 0 1 233.246 2.040 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CCCC1 ZINC001538785419 990545488 /nfs/dbraw/zinc/54/54/88/990545488.db2.gz DMLYLPMIVMDJMU-UHFFFAOYSA-N 0 1 225.675 2.282 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1F ZINC001540393033 990614633 /nfs/dbraw/zinc/61/46/33/990614633.db2.gz USZDPQAIEKTPSK-SECBINFHSA-N 0 1 247.273 2.366 20 0 BEADMN Cc1ccc(NC(=O)c2cnncc2O)c(C)c1 ZINC001540434712 990621285 /nfs/dbraw/zinc/62/12/85/990621285.db2.gz RBJUECVTBGFLQY-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN CSc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001540538123 990623913 /nfs/dbraw/zinc/62/39/13/990623913.db2.gz ZQFFYKUTVSOSKF-UHFFFAOYSA-N 0 1 247.323 2.313 20 0 BEADMN CCC(C)(C)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001540705178 990641020 /nfs/dbraw/zinc/64/10/20/990641020.db2.gz OHONYDKYUFYNRS-SECBINFHSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1nc(C)c(C(=O)N(C)c2ccc(F)cc2)[nH]1 ZINC001542128219 990659034 /nfs/dbraw/zinc/65/90/34/990659034.db2.gz QZNFQLOASBZLNS-UHFFFAOYSA-N 0 1 247.273 2.442 20 0 BEADMN CC(=CC(=O)NCc1cn[nH]c1C)c1ccco1 ZINC001543566635 990697799 /nfs/dbraw/zinc/69/77/99/990697799.db2.gz ZMFOSSUMVGJZCN-RMKNXTFCSA-N 0 1 245.282 2.031 20 0 BEADMN CC/C(C)=C(/C)C(=O)NCc1n[nH]c(C)c1C ZINC001123988852 990725498 /nfs/dbraw/zinc/72/54/98/990725498.db2.gz FJKHBYNJRIQSQX-HJWRWDBZSA-N 0 1 235.331 2.389 20 0 BEADMN c1cnc2cccc(CN3C[C@@H]4C[C@H]3CO4)c2c1 ZINC001137629416 990832306 /nfs/dbraw/zinc/83/23/06/990832306.db2.gz MVIQSGASGYLLIO-STQMWFEESA-N 0 1 240.306 2.208 20 0 BEADMN Cc1cccc(CN2C[C@@H]3CCO[C@@H]3C2)c1F ZINC001137678479 990839858 /nfs/dbraw/zinc/83/98/58/990839858.db2.gz LPNKWLLPJVYJRG-WCQYABFASA-N 0 1 235.302 2.355 20 0 BEADMN C=C/C=C/CC(=O)Nc1cc(N(C)C)ccn1 ZINC001137799770 990850507 /nfs/dbraw/zinc/85/05/07/990850507.db2.gz JVAPLHNSBXOQLF-AATRIKPKSA-N 0 1 231.299 2.218 20 0 BEADMN Cc1ccc(CN2CC[C@@H](CO)C2)c(F)c1F ZINC001137968784 990872871 /nfs/dbraw/zinc/87/28/71/990872871.db2.gz RYKUYKJYIZYLBQ-SNVBAGLBSA-N 0 1 241.281 2.087 20 0 BEADMN CCOC(=O)c1[nH]c(C)c(CN2CC=CC2)c1C ZINC001138132683 990886069 /nfs/dbraw/zinc/88/60/69/990886069.db2.gz KDELEJFVBRXALN-UHFFFAOYSA-N 0 1 248.326 2.180 20 0 BEADMN Cc1cc(CCC(=O)N2CCCCC[C@H]2C)n[nH]1 ZINC001138369890 990923323 /nfs/dbraw/zinc/92/33/23/990923323.db2.gz YNJRLNDYFNADKR-GFCCVEGCSA-N 0 1 249.358 2.442 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2ncccc2[O-])C1 ZINC001138392299 990928888 /nfs/dbraw/zinc/92/88/88/990928888.db2.gz UUKYFHJRIMAADP-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ncccc2[O-])C1 ZINC001138392299 990928890 /nfs/dbraw/zinc/92/88/90/990928890.db2.gz UUKYFHJRIMAADP-SNVBAGLBSA-N 0 1 206.289 2.019 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CCNC(=O)[C@H]1C ZINC001258067608 990961858 /nfs/dbraw/zinc/96/18/58/990961858.db2.gz BJECRVGPONNEPF-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN CC[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001558589935 990972947 /nfs/dbraw/zinc/97/29/47/990972947.db2.gz QVJZFRGSECDLKC-SECBINFHSA-N 0 1 217.272 2.319 20 0 BEADMN CC(C)=CCC[C@@H](C)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258079119 990976557 /nfs/dbraw/zinc/97/65/57/990976557.db2.gz KOLCKRTZAMXSAY-SCZZXKLOSA-N 0 1 242.344 2.020 20 0 BEADMN CCCn1ncc(CN(C)C2CC2)c1C ZINC001138636125 990984210 /nfs/dbraw/zinc/98/42/10/990984210.db2.gz BJJVWADQXOTURV-UHFFFAOYSA-N 0 1 207.321 2.196 20 0 BEADMN CCCn1ncc(CN2CC[C@H](C(C)=O)C2)c1C ZINC001138642050 990993604 /nfs/dbraw/zinc/99/36/04/990993604.db2.gz IZOABNNXXLLXDD-ZDUSSCGKSA-N 0 1 249.358 2.012 20 0 BEADMN CCC[C@H](CNCc1ccn(CC)n1)OCC ZINC001308475495 991003874 /nfs/dbraw/zinc/00/38/74/991003874.db2.gz NAOKBAVTFUXMLM-CYBMUJFWSA-N 0 1 239.363 2.198 20 0 BEADMN CNc1ncccc1CN1CCC[C@H]2C[C@H]21 ZINC001138695096 991004945 /nfs/dbraw/zinc/00/49/45/991004945.db2.gz WIYCBXDTAAHVHB-CMPLNLGQSA-N 0 1 217.316 2.108 20 0 BEADMN Cc1ccc2[nH]c(NCc3cnn(C)c3)nc2c1 ZINC001308501367 991009445 /nfs/dbraw/zinc/00/94/45/991009445.db2.gz MNEPKIBNGVSNDK-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1cnc2[nH]ccc2c1 ZINC001138736759 991022244 /nfs/dbraw/zinc/02/22/44/991022244.db2.gz CRQYUUZCSNGFSU-BXKDBHETSA-N 0 1 233.290 2.495 20 0 BEADMN C[C@H]1CC(N[C@H]2CCSC2=O)C[C@H](C)C1 ZINC001258151276 991031432 /nfs/dbraw/zinc/03/14/32/991031432.db2.gz IDUWCVCOUBGYHZ-KKZNHRDASA-N 0 1 227.373 2.433 20 0 BEADMN CCCN(C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138773693 991038843 /nfs/dbraw/zinc/03/88/43/991038843.db2.gz KXQDDWKLWALCPJ-CYBMUJFWSA-N 0 1 237.347 2.424 20 0 BEADMN CCCN(C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138773694 991040089 /nfs/dbraw/zinc/04/00/89/991040089.db2.gz KXQDDWKLWALCPJ-ZDUSSCGKSA-N 0 1 237.347 2.424 20 0 BEADMN CCN(C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138773917 991042854 /nfs/dbraw/zinc/04/28/54/991042854.db2.gz SIPQFSWEKGZSMH-GFCCVEGCSA-N 0 1 223.320 2.034 20 0 BEADMN C[C@H]1CC(N2CCNCC(F)(F)C2)C[C@H](C)C1 ZINC001258160175 991049912 /nfs/dbraw/zinc/04/99/12/991049912.db2.gz QNEZQOIUVWMRGC-GHMZBOCLSA-N 0 1 246.345 2.352 20 0 BEADMN CC(C)CSC[C@H](C)CN1CCOCC1 ZINC001559319874 991070675 /nfs/dbraw/zinc/07/06/75/991070675.db2.gz ZRHKEMULNKYVEH-GFCCVEGCSA-N 0 1 231.405 2.344 20 0 BEADMN CCc1nnc(S[C@@H]2CCC[C@H](OC)C2)[nH]1 ZINC001559356212 991076266 /nfs/dbraw/zinc/07/62/66/991076266.db2.gz CKWVNNDTIWBGPR-DTWKUNHWSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCC[C@H](OC)C2)n1 ZINC001559356212 991076269 /nfs/dbraw/zinc/07/62/69/991076269.db2.gz CKWVNNDTIWBGPR-DTWKUNHWSA-N 0 1 241.360 2.417 20 0 BEADMN C[C@H](Cc1ccco1)NC1(c2cccnn2)CC1 ZINC001258177922 991080935 /nfs/dbraw/zinc/08/09/35/991080935.db2.gz AILQWGHSCIUTMZ-LLVKDONJSA-N 0 1 243.310 2.280 20 0 BEADMN C[C@@H]1CCN1Cc1cnc2ccccc2n1 ZINC001138863448 991089672 /nfs/dbraw/zinc/08/96/72/991089672.db2.gz MHMQFIRSKNFCIV-SNVBAGLBSA-N 0 1 213.284 2.224 20 0 BEADMN CSCCN(C)Cc1cnc2ccccc2n1 ZINC001138868108 991090544 /nfs/dbraw/zinc/09/05/44/991090544.db2.gz TXVYZLYRZGMGGI-UHFFFAOYSA-N 0 1 247.367 2.425 20 0 BEADMN CCCn1cc(CN2CC[C@H](CC)[C@H]2C)nn1 ZINC001308702892 991099233 /nfs/dbraw/zinc/09/92/33/991099233.db2.gz DEEACJPNQTUWKG-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1c[nH]c(CN2CC[C@H]3CCC[C@H]3C2)n1 ZINC001138936454 991106279 /nfs/dbraw/zinc/10/62/79/991106279.db2.gz JIVSNIKIXCVOEJ-NEPJUHHUSA-N 0 1 219.332 2.340 20 0 BEADMN C[C@H](Cc1ccco1)N1C[C@@H](C)OC[C@@H]1C ZINC001258199837 991116240 /nfs/dbraw/zinc/11/62/40/991116240.db2.gz QTKACQDGVAEITF-GRYCIOLGSA-N 0 1 223.316 2.320 20 0 BEADMN CCCOc1ccccc1CN1CCN(C)CC1 ZINC001139001102 991124697 /nfs/dbraw/zinc/12/46/97/991124697.db2.gz YDFPHFLDUXRZJN-UHFFFAOYSA-N 0 1 248.370 2.223 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1ncccc1F)C1CC1 ZINC001308766828 991124688 /nfs/dbraw/zinc/12/46/88/991124688.db2.gz UKMXKIXZVZFKAQ-RNCFNFMXSA-N 0 1 238.306 2.124 20 0 BEADMN CCCOc1ccccc1CN1CCC(O)CC1 ZINC001138999466 991125097 /nfs/dbraw/zinc/12/50/97/991125097.db2.gz FPWDDUXWUQPMJD-UHFFFAOYSA-N 0 1 249.354 2.432 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1[C@@H](C)CCSC ZINC001258223272 991148676 /nfs/dbraw/zinc/14/86/76/991148676.db2.gz YECNHODMCAXNNF-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN CN(Cc1cccc2c1ccn2C)C1COC1 ZINC001139158479 991174924 /nfs/dbraw/zinc/17/49/24/991174924.db2.gz BELZCUDNGMVTNN-UHFFFAOYSA-N 0 1 230.311 2.009 20 0 BEADMN Cc1cccc2[nH]cc(CN3CC4(COC4)C3)c21 ZINC001139192628 991184946 /nfs/dbraw/zinc/18/49/46/991184946.db2.gz VXKNWVLJQQTCAK-UHFFFAOYSA-N 0 1 242.322 2.309 20 0 BEADMN CCN(Cc1ccc2c(ccn2C)c1)C1COC1 ZINC001139189960 991185853 /nfs/dbraw/zinc/18/58/53/991185853.db2.gz LVEMTJJMRRQLMM-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN CC1(C)CCC[C@@H](Nc2nccnc2CN)C1 ZINC001258278248 991206736 /nfs/dbraw/zinc/20/67/36/991206736.db2.gz TYGSDHUGFNHWEX-SNVBAGLBSA-N 0 1 234.347 2.316 20 0 BEADMN CC1=CCN(Cc2cccc(N(C)C)n2)CC1 ZINC001559718372 991230009 /nfs/dbraw/zinc/23/00/09/991230009.db2.gz GHZZUJUFCKCHFN-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN CCc1cnccc1[C@H](C)NCC1=NOCC1 ZINC001559741417 991239669 /nfs/dbraw/zinc/23/96/69/991239669.db2.gz LZIFVNCTHXVRIR-JTQLQIEISA-N 0 1 233.315 2.071 20 0 BEADMN Fc1ccc([C@@H]2CCN2Cc2cnc[nH]2)cc1 ZINC001308966829 991240190 /nfs/dbraw/zinc/24/01/90/991240190.db2.gz BRJCNLTYCBHNAM-ZDUSSCGKSA-N 0 1 231.274 2.496 20 0 BEADMN CN(C)c1ccc(CN2CC3(CCC3)C2)cn1 ZINC001139455211 991243829 /nfs/dbraw/zinc/24/38/29/991243829.db2.gz PWVAVCHIXJUEOX-UHFFFAOYSA-N 0 1 231.343 2.134 20 0 BEADMN C=C/C=C/CCN1CCN(CC)C(=O)C1(C)C ZINC001559779102 991260546 /nfs/dbraw/zinc/26/05/46/991260546.db2.gz KURBILVMPDZIFJ-BQYQJAHWSA-N 0 1 236.359 2.061 20 0 BEADMN CCN(Cc1cn2c(cccc2F)n1)C1CC1 ZINC001139570281 991274171 /nfs/dbraw/zinc/27/41/71/991274171.db2.gz LGCRULYAQQYASV-UHFFFAOYSA-N 0 1 233.290 2.458 20 0 BEADMN CSC(C)(C)C[C@H](C)N1CCO[C@@H]2C[C@@H]21 ZINC001258346386 991274561 /nfs/dbraw/zinc/27/45/61/991274561.db2.gz RBSPUXNNRYJXHZ-GARJFASQSA-N 0 1 229.389 2.380 20 0 BEADMN COc1ccncc1CN(C)C1CC(C)C1 ZINC001139606830 991285527 /nfs/dbraw/zinc/28/55/27/991285527.db2.gz PPYGLCZQORKAJN-UHFFFAOYSA-N 0 1 220.316 2.321 20 0 BEADMN CCN(CC(=O)OC)[C@@H](C)CC(C)(C)SC ZINC001258350060 991287670 /nfs/dbraw/zinc/28/76/70/991287670.db2.gz VLYRMCLZOTVXFC-JTQLQIEISA-N 0 1 247.404 2.402 20 0 BEADMN COc1ccncc1CN1CCC[C@H](CF)C1 ZINC001139609066 991291141 /nfs/dbraw/zinc/29/11/41/991291141.db2.gz IKWRTPUWXCWZSX-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN c1ccc([C@@H]2CCCN(CC3=NOCC3)C2)nc1 ZINC001559857545 991293660 /nfs/dbraw/zinc/29/36/60/991293660.db2.gz MYVOCRMPBODAFH-GFCCVEGCSA-N 0 1 245.326 2.037 20 0 BEADMN COC(=O)CC[C@@H](C)N1CC2(C1)CC(F)(F)C2 ZINC001258366380 991315916 /nfs/dbraw/zinc/31/59/16/991315916.db2.gz ONEJRMZGUKLRJD-SECBINFHSA-N 0 1 247.285 2.059 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1cn2ccncc2n1 ZINC001139693226 991316182 /nfs/dbraw/zinc/31/61/82/991316182.db2.gz UVIOLRRBEFQNKL-VXGBXAGGSA-N 0 1 244.342 2.492 20 0 BEADMN F[C@H]1CCCN(Cc2cn3ccncc3n2)CC1 ZINC001139694475 991325990 /nfs/dbraw/zinc/32/59/90/991325990.db2.gz PCUDMZODDGSCDF-NSHDSACASA-N 0 1 248.305 2.053 20 0 BEADMN CC[C@H]1CCCCN1Cc1cn2ccncc2n1 ZINC001139699161 991326756 /nfs/dbraw/zinc/32/67/56/991326756.db2.gz MXNOFQZDUMBGKC-ZDUSSCGKSA-N 0 1 244.342 2.494 20 0 BEADMN CC[C@H]1CCCN(Cc2cn3ccncc3n2)C1 ZINC001139699257 991327639 /nfs/dbraw/zinc/32/76/39/991327639.db2.gz QWCLNWZJPHQQNQ-LBPRGKRZSA-N 0 1 244.342 2.351 20 0 BEADMN NCc1cc(C(=O)N[C@H]2CCCC3(CC3)C2)co1 ZINC001341380742 991347379 /nfs/dbraw/zinc/34/73/79/991347379.db2.gz PBXXKRSOVIAFML-NSHDSACASA-N 0 1 248.326 2.191 20 0 BEADMN Cc1cnc(CN(CCCO)C(C)C)s1 ZINC001139810778 991376328 /nfs/dbraw/zinc/37/63/28/991376328.db2.gz OIOVTBLTXADZJO-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN CCCCC[C@H](CC)N(C)CC(=O)OC ZINC001258442090 991379143 /nfs/dbraw/zinc/37/91/43/991379143.db2.gz CGGHAUPEANMEBY-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CCCCC[C@@H](CC)N1CCn2nncc2C1 ZINC001258442646 991381818 /nfs/dbraw/zinc/38/18/18/991381818.db2.gz GSGPWRUIJLDHRI-GFCCVEGCSA-N 0 1 236.363 2.453 20 0 BEADMN CCCCC[C@@H](CC)N1CCNC(=O)[C@H]1C ZINC001258444761 991386640 /nfs/dbraw/zinc/38/66/40/991386640.db2.gz BCTVKPZLSCALSF-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN FCC1CCN(Cc2ccnc(F)c2)CC1 ZINC001139833723 991388935 /nfs/dbraw/zinc/38/89/35/991388935.db2.gz ODWPRCVPKDVIQK-UHFFFAOYSA-N 0 1 226.270 2.402 20 0 BEADMN Cc1ccc(CN2CC3(CCC3)C2)nc1 ZINC001139839313 991394998 /nfs/dbraw/zinc/39/49/98/991394998.db2.gz BUSQGBAHGIKUHQ-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN CCCO[C@@H]1CCN(Cc2ccc(C)cn2)C1 ZINC001139838795 991397468 /nfs/dbraw/zinc/39/74/68/991397468.db2.gz RTYQZIFDLJXJQF-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN Fc1cccc2c1CC[C@@H]2NCC1=NOCC1 ZINC001560150853 991399339 /nfs/dbraw/zinc/39/93/39/991399339.db2.gz NEUHLJKZUGABQA-ZDUSSCGKSA-N 0 1 234.274 2.179 20 0 BEADMN CC(F)(F)CN1CCN(CC2CCC2)CC1 ZINC001560174616 991405813 /nfs/dbraw/zinc/40/58/13/991405813.db2.gz RBDVOEQJWQIBAJ-UHFFFAOYSA-N 0 1 232.318 2.059 20 0 BEADMN C[C@@H](CC1CC1)NCc1nccc(Cl)n1 ZINC001258454477 991406055 /nfs/dbraw/zinc/40/60/55/991406055.db2.gz JJFBORNCOHWSKW-QMMMGPOBSA-N 0 1 225.723 2.408 20 0 BEADMN CCCCN(C)Cc1ccc(OC)nc1OC ZINC001139916823 991417334 /nfs/dbraw/zinc/41/73/34/991417334.db2.gz AFTJGMFIJVXGPD-UHFFFAOYSA-N 0 1 238.331 2.331 20 0 BEADMN CCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)[C@@H]1C ZINC001316770745 991417837 /nfs/dbraw/zinc/41/78/37/991417837.db2.gz OPFLXOVWVWHNBT-WOPDTQHZSA-N 0 1 244.354 2.114 20 0 BEADMN C[C@@]12CSC[C@@H]1CN(Cc1nccs1)C2 ZINC001560204777 991418590 /nfs/dbraw/zinc/41/85/90/991418590.db2.gz ZHEWUPRUURRSPP-GXSJLCMTSA-N 0 1 240.397 2.328 20 0 BEADMN Cc1ccc(CN2CCc3cnccc3C2)cn1 ZINC001139926828 991420038 /nfs/dbraw/zinc/42/00/38/991420038.db2.gz AJQREPFMWSEKPM-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CC(C)=CCCN(C)Cc1ccn(C)n1 ZINC001560219014 991420824 /nfs/dbraw/zinc/42/08/24/991420824.db2.gz RIEITGRTMFOQBD-UHFFFAOYSA-N 0 1 207.321 2.208 20 0 BEADMN Cc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)cn1 ZINC001139929350 991424143 /nfs/dbraw/zinc/42/41/43/991424143.db2.gz XLPREIXDVUINLG-HUUCEWRRSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H]1CCN(Cc2cccnn2)CCC1(F)F ZINC001139969953 991435122 /nfs/dbraw/zinc/43/51/22/991435122.db2.gz IFKLEMOTVUGIAE-JTQLQIEISA-N 0 1 241.285 2.344 20 0 BEADMN CCN(Cc1ccccc1)Cc1ccnnc1 ZINC001139980295 991451750 /nfs/dbraw/zinc/45/17/50/991451750.db2.gz NBDIBZXOWPKPGF-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139984162 991459828 /nfs/dbraw/zinc/45/98/28/991459828.db2.gz XPQSRGZEBGXZRZ-NSHDSACASA-N 0 1 205.305 2.099 20 0 BEADMN CCn1ccc(CNc2ccc3nc[nH]c3c2)n1 ZINC001560468373 991479843 /nfs/dbraw/zinc/47/98/43/991479843.db2.gz WULMMJDIQKGUKL-UHFFFAOYSA-N 0 1 241.298 2.391 20 0 BEADMN CCCC1CCC(N2CCN(C#N)CC2)CC1 ZINC001258534899 991483559 /nfs/dbraw/zinc/48/35/59/991483559.db2.gz VFPSQLUGOZLGRW-UHFFFAOYSA-N 0 1 235.375 2.444 20 0 BEADMN CCC1CCC(N2CC(OCCOC)C2)CC1 ZINC000354205563 991483706 /nfs/dbraw/zinc/48/37/06/991483706.db2.gz OSGWQZMXRFOYNE-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN CCCCC1CCN(Cc2nccnc2N)CC1 ZINC001140011617 991483773 /nfs/dbraw/zinc/48/37/73/991483773.db2.gz UZKFXJHRUJJMOB-UHFFFAOYSA-N 0 1 248.374 2.461 20 0 BEADMN CCCC1CCC(N2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001258533902 991484827 /nfs/dbraw/zinc/48/48/27/991484827.db2.gz IQNUYMBDLXUEOY-TYUFSLCMSA-N 0 1 237.343 2.345 20 0 BEADMN Cn1cc(Cl)c(CNC2(C)CC=CC2)n1 ZINC001202994074 991490451 /nfs/dbraw/zinc/49/04/51/991490451.db2.gz VGIVKOITENKGFZ-UHFFFAOYSA-N 0 1 225.723 2.272 20 0 BEADMN CC1(C)CC[C@@H](N[C@H]2CCSC2=O)C1 ZINC001258594451 991491904 /nfs/dbraw/zinc/49/19/04/991491904.db2.gz IPMQLTVMOGBJAO-BDAKNGLRSA-N 0 1 213.346 2.187 20 0 BEADMN COC[C@@H]1CCCN1Cc1cc(O)ccc1F ZINC001140050976 991501435 /nfs/dbraw/zinc/50/14/35/991501435.db2.gz QZRRXKAGHFDZKX-NSHDSACASA-N 0 1 239.290 2.142 20 0 BEADMN COC[C@H]1CCCN1Cc1cc(O)ccc1F ZINC001140050975 991502534 /nfs/dbraw/zinc/50/25/34/991502534.db2.gz QZRRXKAGHFDZKX-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN Oc1ccc(F)c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001140051768 991505235 /nfs/dbraw/zinc/50/52/35/991505235.db2.gz SBKZWGMFPDPQTE-FWDPORAESA-N 0 1 239.265 2.464 20 0 BEADMN COc1ccc2n[nH]c(CN3CC[C@@H](F)C3)c2c1 ZINC001140065020 991514693 /nfs/dbraw/zinc/51/46/93/991514693.db2.gz WJNLWVVWTHJWTK-SECBINFHSA-N 0 1 249.289 2.115 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1ccc(O)cc1Cl ZINC001140081295 991515386 /nfs/dbraw/zinc/51/53/86/991515386.db2.gz KZRLOGBDGJMWJI-LDYMZIIASA-N 0 1 241.718 2.001 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(O)cc2Cl)C1 ZINC001140082179 991518352 /nfs/dbraw/zinc/51/83/52/991518352.db2.gz MKQITHLBWUEPQL-NSHDSACASA-N 0 1 241.718 2.266 20 0 BEADMN CC1(C)CC[C@@H](N2CCn3nccc3C2)C1 ZINC001258608322 991526396 /nfs/dbraw/zinc/52/63/96/991526396.db2.gz HQNDVGVCCHKOMK-LLVKDONJSA-N 0 1 219.332 2.277 20 0 BEADMN Fc1cccc(CN2CC3CC(C3)C2)n1 ZINC001140135624 991539326 /nfs/dbraw/zinc/53/93/26/991539326.db2.gz KXMCFCJGLZYKQG-UHFFFAOYSA-N 0 1 206.264 2.063 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCCC(=O)[C@@H](C)C1 ZINC001258622107 991553369 /nfs/dbraw/zinc/55/33/69/991553369.db2.gz HDNRFPIMRUHMER-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN COc1ccc(-n2cncc2N)cc1OC(C)C ZINC001203013450 991567582 /nfs/dbraw/zinc/56/75/82/991567582.db2.gz XLVVZLMJNFPLBA-UHFFFAOYSA-N 0 1 247.298 2.250 20 0 BEADMN C[C@@H](Cc1cccnc1)N1CCOCC12CCC2 ZINC001258629521 991568255 /nfs/dbraw/zinc/56/82/55/991568255.db2.gz CDZWZTVUZPNQKJ-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN CC[C@@H]1COCCN1[C@@H](C)Cc1cccnc1 ZINC001258630757 991569218 /nfs/dbraw/zinc/56/92/18/991569218.db2.gz YFSOWONOCIPOOF-GXTWGEPZSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCC(=O)C(C)(C)C1 ZINC001258629647 991570920 /nfs/dbraw/zinc/57/09/20/991570920.db2.gz FFMJKPORPACXHF-GFCCVEGCSA-N 0 1 246.354 2.314 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@@H](C)Cc1cccnc1)C2 ZINC001258633842 991577530 /nfs/dbraw/zinc/57/75/30/991577530.db2.gz LFZFYAWOIZJYCZ-QEJZJMRPSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1nnc(CN2CC[C@H]3CCCC[C@H]3C2)o1 ZINC001317723028 991578659 /nfs/dbraw/zinc/57/86/59/991578659.db2.gz AYHDJNYACWEERH-NEPJUHHUSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)n1cc2c(n1)[C@H](N[C@@H]1CCOC1)CCC2 ZINC001560734474 991579570 /nfs/dbraw/zinc/57/95/70/991579570.db2.gz MLHMGDFSSYVHLW-CHWSQXEVSA-N 0 1 249.358 2.220 20 0 BEADMN C[N@H+](Cc1ccncc1[O-])CC1CC(F)(F)C1 ZINC001140276775 991584399 /nfs/dbraw/zinc/58/43/99/991584399.db2.gz KLZPABDMXXLPDC-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccncc2[O-])[C@@H](C)C1 ZINC001140276865 991589759 /nfs/dbraw/zinc/58/97/59/991589759.db2.gz NBOAUWVEIRQMHX-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)CCC(=O)N1CCN(C(C)(C)C)CC1 ZINC001317983609 991605037 /nfs/dbraw/zinc/60/50/37/991605037.db2.gz ZVKCQKYUZLPQPZ-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1ccc2n[nH]c(CN3CC[C@@H](F)C3)c2c1 ZINC001140328837 991607251 /nfs/dbraw/zinc/60/72/51/991607251.db2.gz MMWKEDAMJIKXET-SNVBAGLBSA-N 0 1 233.290 2.415 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCC(=O)CC3)c2c1 ZINC001140328793 991607509 /nfs/dbraw/zinc/60/75/09/991607509.db2.gz LIJGOISVZDSRSN-UHFFFAOYSA-N 0 1 243.310 2.036 20 0 BEADMN CCCCN(CCCO)Cc1ncccc1F ZINC001560811258 991612067 /nfs/dbraw/zinc/61/20/67/991612067.db2.gz DFEAUWRATZVRKC-UHFFFAOYSA-N 0 1 240.322 2.205 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H](C)Cc1ccno1 ZINC001560831148 991614868 /nfs/dbraw/zinc/61/48/68/991614868.db2.gz GGZWAMSOMLVYHY-WDEREUQCSA-N 0 1 248.330 2.173 20 0 BEADMN CC(C)CCN1CC(NC(=O)[C@@H](C)C(C)C)C1 ZINC001318066911 991616711 /nfs/dbraw/zinc/61/67/11/991616711.db2.gz IBPBXFWXQASJLJ-LBPRGKRZSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2n[nH]cc2c1 ZINC001140385396 991629311 /nfs/dbraw/zinc/62/93/11/991629311.db2.gz ZXRHOALHWUYEJG-SKDRFNHKSA-N 0 1 233.290 2.495 20 0 BEADMN Nc1cncn1-c1cccc(Cl)c1F ZINC001203034480 991638858 /nfs/dbraw/zinc/63/88/58/991638858.db2.gz MNVZSJCEGFWHIT-UHFFFAOYSA-N 0 1 211.627 2.247 20 0 BEADMN Cc1ccc(Cl)nc1CN1CC[C@](C)(O)C1 ZINC001140442820 991641788 /nfs/dbraw/zinc/64/17/88/991641788.db2.gz PTZXSOPQNWTKSA-LBPRGKRZSA-N 0 1 240.734 2.000 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C=Cc2ccco2)n1 ZINC001318352000 991651488 /nfs/dbraw/zinc/65/14/88/991651488.db2.gz AEEDCKPLBUQGHZ-WAYWQWQTSA-N 0 1 246.270 2.173 20 0 BEADMN CC(C)c1nc(NC(=O)C=Cc2ccco2)n[nH]1 ZINC001318352000 991651499 /nfs/dbraw/zinc/65/14/99/991651499.db2.gz AEEDCKPLBUQGHZ-WAYWQWQTSA-N 0 1 246.270 2.173 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2C(=O)[O-])C[C@@H]1F ZINC001140498918 991654059 /nfs/dbraw/zinc/65/40/59/991654059.db2.gz WAMMMHXYEPTMFZ-SKDRFNHKSA-N 0 1 237.274 2.175 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CC[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001140493915 991655421 /nfs/dbraw/zinc/65/54/21/991655421.db2.gz OXLRRIJPHPBGCG-MRVPVSSYSA-N 0 1 236.315 2.172 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H](C)C(C)C)n1 ZINC001318513420 991670910 /nfs/dbraw/zinc/67/09/10/991670910.db2.gz IZAGEAAKDUWKMS-MRVPVSSYSA-N 0 1 224.308 2.159 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H](C)C(C)C)n[nH]1 ZINC001318513420 991670917 /nfs/dbraw/zinc/67/09/17/991670917.db2.gz IZAGEAAKDUWKMS-MRVPVSSYSA-N 0 1 224.308 2.159 20 0 BEADMN CC(C)[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC001591095428 991679870 /nfs/dbraw/zinc/67/98/70/991679870.db2.gz VELVTSFNDUHMTH-SNVBAGLBSA-N 0 1 223.272 2.208 20 0 BEADMN CC1(C)CC(=O)N1CN1CC[C@H](c2ccco2)C1 ZINC001318932356 991740388 /nfs/dbraw/zinc/74/03/88/991740388.db2.gz BNSHNQGYOSOCTC-NSHDSACASA-N 0 1 248.326 2.037 20 0 BEADMN CC1(C)CC(=O)N1CN1CC[C@@H](c2ccco2)C1 ZINC001318932355 991741019 /nfs/dbraw/zinc/74/10/19/991741019.db2.gz BNSHNQGYOSOCTC-LLVKDONJSA-N 0 1 248.326 2.037 20 0 BEADMN CC(C)c1ncc(C(=O)N(C)CC2CC2)[nH]1 ZINC001318945690 991743979 /nfs/dbraw/zinc/74/39/79/991743979.db2.gz SFDYYXODNNLMBC-UHFFFAOYSA-N 0 1 221.304 2.015 20 0 BEADMN CC[C@H](C)C[C@H](CC)[NH2+][C@H]1SC(=O)[N-]C1=O ZINC001258778584 991743923 /nfs/dbraw/zinc/74/39/23/991743923.db2.gz IGZXKDDSDVSMIN-NRPADANISA-N 0 1 244.360 2.100 20 0 BEADMN CCN1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001318952601 991749662 /nfs/dbraw/zinc/74/96/62/991749662.db2.gz CLFVCCDOVDJUIN-OAHLLOKOSA-N 0 1 248.345 2.451 20 0 BEADMN CC(C)C[C@H](C)CC(=O)NCCN1CC=CC1 ZINC001318973309 991752113 /nfs/dbraw/zinc/75/21/13/991752113.db2.gz HRHNVMDKBGTRST-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CC(C)(C)N1CCN(C(=O)C2(C)CCC2)CC1 ZINC001319011571 991760516 /nfs/dbraw/zinc/76/05/16/991760516.db2.gz CYHUVDBKXOLGED-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](C)C[C@H](CC)n1c(C)nnc1CN ZINC001258788738 991769389 /nfs/dbraw/zinc/76/93/89/991769389.db2.gz RVTDONZVCBAGTA-KOLCDFICSA-N 0 1 224.352 2.433 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)N(C)CC(=O)OC ZINC001258796440 991787665 /nfs/dbraw/zinc/78/76/65/991787665.db2.gz BYRTYLGFUOYCJY-GHMZBOCLSA-N 0 1 215.337 2.306 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258796148 991788666 /nfs/dbraw/zinc/78/86/66/991788666.db2.gz XTOBXQSZLWNPTK-BJDJZHNGSA-N 0 1 244.354 2.099 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@H]2CC23CCC3)n1 ZINC001319109132 991793599 /nfs/dbraw/zinc/79/35/99/991793599.db2.gz MJMDQLFBGBOZFO-MRVPVSSYSA-N 0 1 234.303 2.057 20 0 BEADMN CC(C)c1nc(NC(=O)[C@H]2CC23CCC3)n[nH]1 ZINC001319109132 991793609 /nfs/dbraw/zinc/79/36/09/991793609.db2.gz MJMDQLFBGBOZFO-MRVPVSSYSA-N 0 1 234.303 2.057 20 0 BEADMN Cc1cc(CCC(=O)Nc2ccsc2)n[nH]1 ZINC001565963660 991816617 /nfs/dbraw/zinc/81/66/17/991816617.db2.gz WFAIIFGQJJAQTP-UHFFFAOYSA-N 0 1 235.312 2.351 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC001566247227 991833419 /nfs/dbraw/zinc/83/34/19/991833419.db2.gz CLWWJXRFKMFNPW-VHSXEESVSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)[C@@H]1C ZINC001566247225 991836189 /nfs/dbraw/zinc/83/61/89/991836189.db2.gz CLWWJXRFKMFNPW-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN COCc1nn([C@H]2CCC[C@@H](C)C2)c2c1CNC2 ZINC001258818681 991836801 /nfs/dbraw/zinc/83/68/01/991836801.db2.gz AHWNCEBISBKKJJ-MNOVXSKESA-N 0 1 249.358 2.384 20 0 BEADMN CCO/C=C/C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC001566328975 991840728 /nfs/dbraw/zinc/84/07/28/991840728.db2.gz KDXPBCBPPSGDCA-VOTSOKGWSA-N 0 1 245.282 2.360 20 0 BEADMN CCCC1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001319334754 991841291 /nfs/dbraw/zinc/84/12/91/991841291.db2.gz YPJJLGVAVFKDDZ-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](C)NC(=O)CN1CC(C)(C)C1(C)C ZINC001319417894 991861091 /nfs/dbraw/zinc/86/10/91/991861091.db2.gz JDVQDSPURWTESR-JTQLQIEISA-N 0 1 226.364 2.022 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](CC)Cc1ccccc1 ZINC001258839810 991872453 /nfs/dbraw/zinc/87/24/53/991872453.db2.gz KPPOQPIKIKJCCU-OAHLLOKOSA-N 0 1 233.379 2.493 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H](CC)Cc1ccccc1 ZINC001258839810 991872457 /nfs/dbraw/zinc/87/24/57/991872457.db2.gz KPPOQPIKIKJCCU-OAHLLOKOSA-N 0 1 233.379 2.493 20 0 BEADMN CC[C@@H](Cc1ccccc1)n1c(C)nnc1CN ZINC001258844795 991878043 /nfs/dbraw/zinc/87/80/43/991878043.db2.gz SJSSYEMPKHKPGQ-ZDUSSCGKSA-N 0 1 244.342 2.239 20 0 BEADMN COc1ccccc1C[C@@H](C)[N@H+]1CCOC[C@H]1C ZINC001258888038 991890657 /nfs/dbraw/zinc/89/06/57/991890657.db2.gz IKXHXLZCWVFIOT-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1C[C@@H](C)N1CCOC[C@H]1C ZINC001258888038 991890659 /nfs/dbraw/zinc/89/06/59/991890659.db2.gz IKXHXLZCWVFIOT-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cnc(C(C)C)[nH]2)C1 ZINC001319559652 991893628 /nfs/dbraw/zinc/89/36/28/991893628.db2.gz QTCXOLMHULBJHF-SNVBAGLBSA-N 0 1 235.331 2.405 20 0 BEADMN O[C@H](CN1CC[C@@H]2C[C@@H]21)c1cccc(Cl)c1 ZINC001319553388 991894755 /nfs/dbraw/zinc/89/47/55/991894755.db2.gz TUUKBXRHJSRGPP-JIMOISOXSA-N 0 1 237.730 2.468 20 0 BEADMN CC/C=C/NS(=O)(=O)c1c(F)cccc1F ZINC001259071413 991913400 /nfs/dbraw/zinc/91/34/00/991913400.db2.gz ULRQDINGZJSCLD-XVNBXDOJSA-N 0 1 247.266 2.167 20 0 BEADMN Cc1cc(CN2CCc3cccc(F)c3C2)n[nH]1 ZINC001319711277 991944266 /nfs/dbraw/zinc/94/42/66/991944266.db2.gz HRHBUWCMPHDPNJ-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598471954 992040586 /nfs/dbraw/zinc/04/05/86/992040586.db2.gz HEHVQTNWQWBHEQ-BDAKNGLRSA-N 0 1 249.301 2.320 20 0 BEADMN Cc1c(C(=O)NCCC(C)C)ccc2cncn21 ZINC001319987222 992058239 /nfs/dbraw/zinc/05/82/39/992058239.db2.gz YJCWBFSRYVKEBZ-UHFFFAOYSA-N 0 1 245.326 2.419 20 0 BEADMN CC[C@H]1CN(Cc2ncoc2C(C)C)C[C@@H]1O ZINC001319997522 992069341 /nfs/dbraw/zinc/06/93/41/992069341.db2.gz UJQOHPFXNCQRFA-JQWIXIFHSA-N 0 1 238.331 2.001 20 0 BEADMN CC[C@@H](C)CC(=O)NC1CN(CC2CCC2)C1 ZINC001567790565 992095351 /nfs/dbraw/zinc/09/53/51/992095351.db2.gz UVIYTJLLFDTSLL-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nc(NC(=O)[C@H](C)c2ccc(C)o2)n[nH]1 ZINC001320144201 992114945 /nfs/dbraw/zinc/11/49/45/992114945.db2.gz TYRVVANIBPOTAL-MRVPVSSYSA-N 0 1 248.286 2.011 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](C)c2ccc(C)o2)n1 ZINC001320144201 992114950 /nfs/dbraw/zinc/11/49/50/992114950.db2.gz TYRVVANIBPOTAL-MRVPVSSYSA-N 0 1 248.286 2.011 20 0 BEADMN CC(C)CC[N@@H+](C)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591240470 992131612 /nfs/dbraw/zinc/13/16/12/992131612.db2.gz VTFUDROJPOVUSR-SECBINFHSA-N 0 1 240.303 2.412 20 0 BEADMN CC[C@H](C)S(=O)(=O)Nc1nc(C)c(C)s1 ZINC001260722044 992132979 /nfs/dbraw/zinc/13/29/79/992132979.db2.gz MXKXLSYXUFVEGZ-LURJTMIESA-N 0 1 248.373 2.300 20 0 BEADMN C(CC1CC1)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320329566 992172792 /nfs/dbraw/zinc/17/27/92/992172792.db2.gz XTPOQBUEEVTWGA-LBPRGKRZSA-N 0 1 247.342 2.221 20 0 BEADMN O=C(NC/C=C/C1CC1)c1cccc2nc[nH]c21 ZINC001261249353 992219849 /nfs/dbraw/zinc/21/98/49/992219849.db2.gz LMTPJJTXSHQOJE-NSCUHMNNSA-N 0 1 241.294 2.259 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CC[C@]12CCOC2 ZINC001261387102 992287005 /nfs/dbraw/zinc/28/70/05/992287005.db2.gz QWVGTCVPDPXGJO-RKDXNWHRSA-N 0 1 236.142 2.045 20 0 BEADMN C=C/C(C)=C\CC(=O)N(C)C1CN(CCC)C1 ZINC001569497747 992400704 /nfs/dbraw/zinc/40/07/04/992400704.db2.gz NLZAICBBAIHGFN-GHXNOFRVSA-N 0 1 236.359 2.061 20 0 BEADMN CC(C)CC1(C)CCN(Cc2nnc[nH]2)CC1 ZINC001261640051 992437260 /nfs/dbraw/zinc/43/72/60/992437260.db2.gz VJBRYTAOEDHAFG-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN COc1cc(NCc2nnc[nH]2)c(C)cc1C ZINC001261646948 992443587 /nfs/dbraw/zinc/44/35/87/992443587.db2.gz CJMZWNLFBBBHGW-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN c1nnc(CSCCOCC2CCCC2)[nH]1 ZINC001261658123 992451723 /nfs/dbraw/zinc/45/17/23/992451723.db2.gz WSVPEZYBWRTUHV-UHFFFAOYSA-N 0 1 241.360 2.245 20 0 BEADMN C1CC(c2nc([C@@H]3CN4CCC3CC4)no2)C1 ZINC001321126812 992464541 /nfs/dbraw/zinc/46/45/41/992464541.db2.gz XPVHRTBPCNVTSD-LLVKDONJSA-N 0 1 233.315 2.146 20 0 BEADMN CCCC1CCN(c2ccncc2C(N)=O)CC1 ZINC001321137616 992469005 /nfs/dbraw/zinc/46/90/05/992469005.db2.gz ZJZQQDXNLCXXPZ-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN Cn1cc(CN[C@@H]2C=CCCC2)c(Cl)n1 ZINC001261762535 992495704 /nfs/dbraw/zinc/49/57/04/992495704.db2.gz WQCOSISMPFBCHB-SNVBAGLBSA-N 0 1 225.723 2.272 20 0 BEADMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC001598505285 992496318 /nfs/dbraw/zinc/49/63/18/992496318.db2.gz KMEWTYCUIIQVPF-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CC(=O)NC[C@@H](C)N(C)Cc1csc(C)c1 ZINC001570691201 992497849 /nfs/dbraw/zinc/49/78/49/992497849.db2.gz QHVOJDQHKJBUNR-SECBINFHSA-N 0 1 240.372 2.013 20 0 BEADMN CCC(C)(C)OC1CN(Cc2cc(C)[nH]n2)C1 ZINC001261830404 992528331 /nfs/dbraw/zinc/52/83/31/992528331.db2.gz VVQUWKRNUAABQR-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN COCCCn1[nH]c(C2CCCCC2)cc1=O ZINC001261890677 992564651 /nfs/dbraw/zinc/56/46/51/992564651.db2.gz LCPWKOMBSUMADL-UHFFFAOYSA-N 0 1 238.331 2.192 20 0 BEADMN CC(C)(CF)NCc1ccc2oc(=O)oc2c1 ZINC001262030978 992618649 /nfs/dbraw/zinc/61/86/49/992618649.db2.gz CLFSRZIMKGVORH-UHFFFAOYSA-N 0 1 239.246 2.224 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])C2CC2)CC12CCC2 ZINC001573735718 992692528 /nfs/dbraw/zinc/69/25/28/992692528.db2.gz HTSLGWMXBWWKLM-PWSUYJOCSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[Si](C)(C)C)C1 ZINC001573822932 992726496 /nfs/dbraw/zinc/72/64/96/992726496.db2.gz WPMXYOLDTBPATF-GFCCVEGCSA-N 0 1 243.423 2.441 20 0 BEADMN CC/C=C\CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001573831496 992730232 /nfs/dbraw/zinc/73/02/32/992730232.db2.gz AJODMUUADBVBBT-WQMVXFAESA-N 0 1 211.305 2.280 20 0 BEADMN CSC(C)(C)CC[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC001574097889 992804831 /nfs/dbraw/zinc/80/48/31/992804831.db2.gz UQUIUCBJFRTEOY-SECBINFHSA-N 0 1 245.388 2.456 20 0 BEADMN Cc1cc(C[N@H+]([C@H](C)C(=O)[O-])C2CC2)cc(C)n1 ZINC001574135633 992810593 /nfs/dbraw/zinc/81/05/93/992810593.db2.gz VOXQERKSHISJAE-LLVKDONJSA-N 0 1 248.326 2.136 20 0 BEADMN COC[C@@H]1CCCCN([C@@H](C)c2ncccn2)C1 ZINC001262261329 992827214 /nfs/dbraw/zinc/82/72/14/992827214.db2.gz KZIAXUORYWBORZ-QWHCGFSZSA-N 0 1 249.358 2.286 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC001574395457 992854022 /nfs/dbraw/zinc/85/40/22/992854022.db2.gz HMQARLCVVFGSJQ-MELADBBJSA-N 0 1 245.322 2.024 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC3(CC3)CC2)[nH]1 ZINC001574412775 992856248 /nfs/dbraw/zinc/85/62/48/992856248.db2.gz MVFFCKZDWVCPFS-UHFFFAOYSA-N 0 1 248.326 2.479 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574479502 992866347 /nfs/dbraw/zinc/86/63/47/992866347.db2.gz MXPDROGXHPVUOK-BXKDBHETSA-N 0 1 236.315 2.333 20 0 BEADMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001574479506 992867071 /nfs/dbraw/zinc/86/70/71/992867071.db2.gz MXPDROGXHPVUOK-SKDRFNHKSA-N 0 1 236.315 2.333 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 ZINC001574532330 992875041 /nfs/dbraw/zinc/87/50/41/992875041.db2.gz MQZVCXMOFZGFEN-MOLYVOAJSA-N 0 1 237.343 2.360 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001574558852 992878625 /nfs/dbraw/zinc/87/86/25/992878625.db2.gz ILGGBUBXSSGYLT-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cccnc1[C@@H](C)NC[C@](C)(O)C(F)F ZINC001262560919 992913182 /nfs/dbraw/zinc/91/31/82/992913182.db2.gz GQMZEOKITKEQDG-SKDRFNHKSA-N 0 1 244.285 2.057 20 0 BEADMN CCCC(=O)Nc1c2nn[nH]c2ccc1C ZINC001262652285 993001429 /nfs/dbraw/zinc/00/14/29/993001429.db2.gz BQLJZZRHUAHUSX-UHFFFAOYSA-N 0 1 218.260 2.005 20 0 BEADMN CC(C)CCCCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001575565397 993070028 /nfs/dbraw/zinc/07/00/28/993070028.db2.gz LMEFOTVPKXAJNC-BETUJISGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(C#N)ccc1Nc1ccncc1 ZINC000378807991 993204430 /nfs/dbraw/zinc/20/44/30/993204430.db2.gz ZMXGORIACXSKTJ-UHFFFAOYSA-N 0 1 209.252 2.427 20 0 BEADMN COC(=O)CCN(C)Cc1csc(Cl)c1 ZINC000379001035 993213594 /nfs/dbraw/zinc/21/35/94/993213594.db2.gz UCGOCFOEKSASET-UHFFFAOYSA-N 0 1 247.747 2.396 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC001263361656 993244848 /nfs/dbraw/zinc/24/48/48/993244848.db2.gz NGNSIZMFDNNZEB-ONGXEEELSA-N 0 1 234.299 2.477 20 0 BEADMN CC1(C)Nc2ccccc2[C@H]1NCC1=NOCC1 ZINC001576493627 993317797 /nfs/dbraw/zinc/31/77/97/993317797.db2.gz RFBCOPCOTJACIL-CYBMUJFWSA-N 0 1 245.326 2.298 20 0 BEADMN Cc1cnc(N[C@H]2CCCOC2)c(C)c1 ZINC000380319198 993326562 /nfs/dbraw/zinc/32/65/62/993326562.db2.gz JYQNEXHLEWYMQS-NSHDSACASA-N 0 1 206.289 2.289 20 0 BEADMN C[C@H]1CCC[C@H]1CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001576769941 993414139 /nfs/dbraw/zinc/41/41/39/993414139.db2.gz RMRWKNRDHSABLV-RVMXOQNASA-N 0 1 238.375 2.022 20 0 BEADMN CCOc1ccccc1C[N@H+]1CC[C@@](C)(CO)C1 ZINC000381663853 993415895 /nfs/dbraw/zinc/41/58/95/993415895.db2.gz AUTUNQBXXUVUHR-OAHLLOKOSA-N 0 1 249.354 2.290 20 0 BEADMN COc1cc2nc([C@H]3CCOC3)[nH]c2cc1F ZINC000586911566 993417368 /nfs/dbraw/zinc/41/73/68/993417368.db2.gz IRDKFXGPEXZTPB-ZETCQYMHSA-N 0 1 236.246 2.215 20 0 BEADMN C[C@@]1(CO)CCN(Cc2nc3ccccc3o2)C1 ZINC000381795780 993426459 /nfs/dbraw/zinc/42/64/59/993426459.db2.gz SXDWZCPPXIEFNW-CQSZACIVSA-N 0 1 246.310 2.032 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1cccc(C2CC2)c1 ZINC001576855395 993437452 /nfs/dbraw/zinc/43/74/52/993437452.db2.gz XKVMDGXWFZZEFB-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]1F ZINC001263796186 993520307 /nfs/dbraw/zinc/52/03/07/993520307.db2.gz ONINLHWPCYXKJU-BDAKNGLRSA-N 0 1 233.246 2.168 20 0 BEADMN Cc1cc(CN(C)[C@@H](C)c2c[nH]nn2)cc(C)n1 ZINC001577320812 993591475 /nfs/dbraw/zinc/59/14/75/993591475.db2.gz DFEOUUCFJRLCQE-NSHDSACASA-N 0 1 245.330 2.010 20 0 BEADMN Cc1cc(F)ccc1-c1noc([C@@H]2CCN2)n1 ZINC000384842929 993634152 /nfs/dbraw/zinc/63/41/52/993634152.db2.gz VYAXXFICTUVVHL-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN Cc1nnc(CNC2CCC(F)(F)CC2)o1 ZINC000390059531 993777368 /nfs/dbraw/zinc/77/73/68/993777368.db2.gz PKBHQKNQGOZMJB-UHFFFAOYSA-N 0 1 231.246 2.046 20 0 BEADMN COc1cncc(CNCc2cccc(O)c2)c1 ZINC000700056124 993817295 /nfs/dbraw/zinc/81/72/95/993817295.db2.gz JUOSWSJCAMTSAE-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN CCCC1CCN(Cc2c[nH]cn2)CC1 ZINC000724780206 994073353 /nfs/dbraw/zinc/07/33/53/994073353.db2.gz CKFOOCPOJVNPJK-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN Cc1ncc(CN2CCOc3ccccc3C2)[nH]1 ZINC000724780565 994077368 /nfs/dbraw/zinc/07/73/68/994077368.db2.gz AHTOANKMDHKGPH-UHFFFAOYSA-N 0 1 243.310 2.113 20 0 BEADMN FC1(F)CCN(Cc2ccc[nH]2)CC1 ZINC000725377825 994101750 /nfs/dbraw/zinc/10/17/50/994101750.db2.gz ATBBTROLHXEOJQ-UHFFFAOYSA-N 0 1 200.232 2.246 20 0 BEADMN CCc1nc([C@H](C)OC(=O)CC2(C)CC2)n[nH]1 ZINC001333216814 994426837 /nfs/dbraw/zinc/42/68/37/994426837.db2.gz PZNAKWIMMCQUQL-QMMMGPOBSA-N 0 1 237.303 2.162 20 0 BEADMN CCCCCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001290115201 994526069 /nfs/dbraw/zinc/52/60/69/994526069.db2.gz KKAHXPFOEPRONO-JTQLQIEISA-N 0 1 249.358 2.455 20 0 BEADMN CCCCCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001290115202 994527311 /nfs/dbraw/zinc/52/73/11/994527311.db2.gz KKAHXPFOEPRONO-SNVBAGLBSA-N 0 1 249.358 2.455 20 0 BEADMN C[C@H](NC(=O)C=C1CC[C@@H](C)C1)c1ncc[nH]1 ZINC001306847667 994534381 /nfs/dbraw/zinc/53/43/81/994534381.db2.gz RNCUQQQGLZHNIJ-PCYIOHOOSA-N 0 1 233.315 2.333 20 0 BEADMN CC(C)CN(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001290461107 994539082 /nfs/dbraw/zinc/53/90/82/994539082.db2.gz FBKXMVSNHJPMLI-UHFFFAOYSA-N 0 1 249.289 2.430 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC001290783029 994558873 /nfs/dbraw/zinc/55/88/73/994558873.db2.gz TYGYAUKIEXGSPH-SCZZXKLOSA-N 0 1 239.294 2.247 20 0 BEADMN Cc1cc(CCC(=O)N2CCC[C@H](C)[C@@H]2C)n[nH]1 ZINC001293919294 994676038 /nfs/dbraw/zinc/67/60/38/994676038.db2.gz PBXUBMDVNQQURD-JQWIXIFHSA-N 0 1 249.358 2.298 20 0 BEADMN C[C@@H]([NH2+]Cc1cccnc1)c1cc(C(=O)[O-])co1 ZINC001593303140 994731945 /nfs/dbraw/zinc/73/19/45/994731945.db2.gz CVYGTWPTECGDLF-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN COc1ccc(F)cc1NC(=O)c1[nH]cnc1C ZINC001295098071 994732052 /nfs/dbraw/zinc/73/20/52/994732052.db2.gz KAHZTZAKWHTJNA-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN C[C@H]([NH2+]Cc1cccnc1)c1cc(C(=O)[O-])co1 ZINC001593303142 994732346 /nfs/dbraw/zinc/73/23/46/994732346.db2.gz CVYGTWPTECGDLF-VIFPVBQESA-N 0 1 246.266 2.224 20 0 BEADMN C[C@@H]([NH2+]Cc1ccco1)c1cc(C(=O)[O-])co1 ZINC001593304655 994750896 /nfs/dbraw/zinc/75/08/96/994750896.db2.gz QOJZONPUESYUIM-MRVPVSSYSA-N 0 1 235.239 2.422 20 0 BEADMN C[C@H]([NH2+]Cc1ccoc1)c1cc(C(=O)[O-])co1 ZINC001593311489 994783523 /nfs/dbraw/zinc/78/35/23/994783523.db2.gz RGBPIVCAYUBEAJ-QMMMGPOBSA-N 0 1 235.239 2.422 20 0 BEADMN CNc1ccc([NH+]2CCCCC2)c(C(=O)[O-])c1 ZINC001598679787 994908831 /nfs/dbraw/zinc/90/88/31/994908831.db2.gz MSWJEDZXKFFNKV-UHFFFAOYSA-N 0 1 234.299 2.417 20 0 BEADMN CC/C=C/CNC(=O)c1cc(F)cc(F)c1O ZINC001298520290 994930961 /nfs/dbraw/zinc/93/09/61/994930961.db2.gz UMIGGVSYSMEQRF-ONEGZZNKSA-N 0 1 241.237 2.366 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1c1nccnc1CN ZINC001337066797 995136043 /nfs/dbraw/zinc/13/60/43/995136043.db2.gz LZGNZJBREWMZQI-YPMHNXCESA-N 0 1 248.374 2.340 20 0 BEADMN CCC(F)(F)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001304107220 995190513 /nfs/dbraw/zinc/19/05/13/995190513.db2.gz GXRVYBJUUQMJHB-UHFFFAOYSA-N 0 1 245.273 2.195 20 0 BEADMN CN1CCN(CCCC2CCC2)C(C)(C)C1=O ZINC001307527017 995397481 /nfs/dbraw/zinc/39/74/81/995397481.db2.gz DGTLYRPQDQNIOW-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](O)[C@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001307578180 995408590 /nfs/dbraw/zinc/40/85/90/995408590.db2.gz BTWZZYFHQNPVCD-KCQAQPDRSA-N 0 1 249.354 2.003 20 0 BEADMN CCn1ncc(CN2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC001308136461 995567004 /nfs/dbraw/zinc/56/70/04/995567004.db2.gz LHCALMBOUDTIBZ-QWHCGFSZSA-N 0 1 248.374 2.309 20 0 BEADMN c1nonc1CN1CCC[C@H](C2CCCC2)C1 ZINC001308155629 995574985 /nfs/dbraw/zinc/57/49/85/995574985.db2.gz AFLXQSSMACTUFP-LBPRGKRZSA-N 0 1 235.331 2.472 20 0 BEADMN Cn1cc(Cl)c(CNC2(C)CCCC2)n1 ZINC001308250771 995602238 /nfs/dbraw/zinc/60/22/38/995602238.db2.gz YHAVMWDEJLOAKQ-UHFFFAOYSA-N 0 1 227.739 2.496 20 0 BEADMN C[C@@H](c1cccnc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC001593719320 996243339 /nfs/dbraw/zinc/24/33/39/996243339.db2.gz BXPOTVSMZYTJGZ-NSHDSACASA-N 0 1 248.326 2.329 20 0 BEADMN C[C@@]1(F)CCC[N@H+](Cc2ccoc2C(=O)[O-])C1 ZINC001594045373 997701764 /nfs/dbraw/zinc/70/17/64/997701764.db2.gz UVOOFUOLXAMECV-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC001594045373 997701773 /nfs/dbraw/zinc/70/17/73/997701773.db2.gz UVOOFUOLXAMECV-GFCCVEGCSA-N 0 1 241.262 2.302 20 0 BEADMN CC1=C[C@@H](C)C[N@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC001594109416 998193562 /nfs/dbraw/zinc/19/35/62/998193562.db2.gz GYHBMDVZJWZQJF-PWSUYJOCSA-N 0 1 225.332 2.384 20 0 BEADMN CC1=C(C)C[N@H+]([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001594109425 998193547 /nfs/dbraw/zinc/19/35/47/998193547.db2.gz HCEQSODBNAWDOD-CYBMUJFWSA-N 0 1 246.310 2.249 20 0 BEADMN Cc1[nH]c(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1C(=O)[O-] ZINC001594109887 998200076 /nfs/dbraw/zinc/20/00/76/998200076.db2.gz LIKCHGJVFKIPRJ-SECBINFHSA-N 0 1 248.326 2.419 20 0 BEADMN CC1=C[C@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC001594110397 998209976 /nfs/dbraw/zinc/20/99/76/998209976.db2.gz VPPIGZQNLNYXNM-VIFPVBQESA-N 0 1 232.283 2.182 20 0 BEADMN C[C@@H]1C[C@H](C)[N@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC001594231035 998877569 /nfs/dbraw/zinc/87/75/69/998877569.db2.gz QCYDXZSSJYFDQV-VDDIYKPWSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC001594231035 998877572 /nfs/dbraw/zinc/87/75/72/998877572.db2.gz QCYDXZSSJYFDQV-VDDIYKPWSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@H]1CCC(F)(F)C[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC001594307143 999186373 /nfs/dbraw/zinc/18/63/73/999186373.db2.gz RZBATOQGKBIOCI-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN C[C@H]1CCC(F)(F)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC001594307143 999186376 /nfs/dbraw/zinc/18/63/76/999186376.db2.gz RZBATOQGKBIOCI-VIFPVBQESA-N 0 1 247.285 2.361 20 0 BEADMN ClC1(Cl)C[C@H]1CSCc1nnc[nH]1 ZINC001458920745 1170031055 /nfs/dbraw/zinc/03/10/55/1170031055.db2.gz WJQNGNWXFKJMKJ-YFKPBYRVSA-N 0 1 238.143 2.232 20 0 BEADMN c1cncc([C@H]2CCCN(CC3=NOCC3)C2)c1 ZINC001460302724 1170037046 /nfs/dbraw/zinc/03/70/46/1170037046.db2.gz IHQIYXSROAXJMN-ZDUSSCGKSA-N 0 1 245.326 2.037 20 0 BEADMN CCCCO[C@@H]1C[C@@H](N(C)CC(C)=O)C1(C)C ZINC001616166980 1170116662 /nfs/dbraw/zinc/11/66/62/1170116662.db2.gz AWCHSEPMPANLIP-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN C[C@@H]([NH2+]C1CCCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001621539787 1170163739 /nfs/dbraw/zinc/16/37/39/1170163739.db2.gz SQTVGLKUQCNPAP-ZCFIWIBFSA-N 0 1 248.252 2.417 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CNCc1nn(C)cc1Cl ZINC001620937963 1170170513 /nfs/dbraw/zinc/17/05/13/1170170513.db2.gz HJVSSEVXYXHLKN-UWVGGRQHSA-N 0 1 241.766 2.455 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC001608881039 1170207005 /nfs/dbraw/zinc/20/70/05/1170207005.db2.gz BXHSLTOOLHXLNO-PHIMTYICSA-N 0 1 248.326 2.335 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001609684651 1170274815 /nfs/dbraw/zinc/27/48/15/1170274815.db2.gz UOZQQYYYHDAJRP-SNVBAGLBSA-N 0 1 238.331 2.200 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1(C)C ZINC001609818333 1170295309 /nfs/dbraw/zinc/29/53/09/1170295309.db2.gz IONPHOJBEPNCKF-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN CCC[N@@H+](C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001609975347 1170331998 /nfs/dbraw/zinc/33/19/98/1170331998.db2.gz QTYOGPIHLOWFDA-UHFFFAOYSA-N 0 1 247.298 2.034 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(F)C1 ZINC001609964202 1170333817 /nfs/dbraw/zinc/33/38/17/1170333817.db2.gz XPFXIVBKERFULS-CMPLNLGQSA-N 0 1 231.311 2.454 20 0 BEADMN CC[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC001609999219 1170337362 /nfs/dbraw/zinc/33/73/62/1170337362.db2.gz NWVCFBLPKDUUDZ-SNVBAGLBSA-N 0 1 241.331 2.254 20 0 BEADMN Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C ZINC001610522046 1170381452 /nfs/dbraw/zinc/38/14/52/1170381452.db2.gz NZVNSUBVFQWBFZ-WDNDVIMCSA-N 0 1 245.322 2.066 20 0 BEADMN Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610528683 1170384414 /nfs/dbraw/zinc/38/44/14/1170384414.db2.gz CUMRVSPKYFGFPT-SCUASFONSA-N 0 1 245.322 2.318 20 0 BEADMN O=C([O-])c1ccc(Cl)c(C[NH2+]CCF)c1 ZINC001610831343 1170418367 /nfs/dbraw/zinc/41/83/67/1170418367.db2.gz XUZBGROTEYXLGX-UHFFFAOYSA-N 0 1 231.654 2.097 20 0 BEADMN Cc1cc(Nc2nccnc2CN)ccc1F ZINC001611937015 1170446916 /nfs/dbraw/zinc/44/69/16/1170446916.db2.gz VXFLVSOSIPZGPD-UHFFFAOYSA-N 0 1 232.262 2.126 20 0 BEADMN Cc1cccc2sc(NCc3c[nH]nn3)nc21 ZINC001612061843 1170449053 /nfs/dbraw/zinc/44/90/53/1170449053.db2.gz WWBFNBGMUHWXMU-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CN1CCC[C@H](Oc2cccnc2Cl)C1 ZINC000034381304 1170552985 /nfs/dbraw/zinc/55/29/85/1170552985.db2.gz VYZUBIVZHDSMFU-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)[C@H]1C ZINC001616974291 1170575310 /nfs/dbraw/zinc/57/53/10/1170575310.db2.gz LCWLXNQAAQNFNE-GRYCIOLGSA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)C[C@@H](C)N1CCn2nccc2C1 ZINC001620449942 1170672723 /nfs/dbraw/zinc/67/27/23/1170672723.db2.gz FGVCZRKPJNYEMS-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cc(C(C)C)on1 ZINC001620558042 1170681072 /nfs/dbraw/zinc/68/10/72/1170681072.db2.gz ABLNHZSKEPCIID-UHFFFAOYSA-N 0 1 248.286 2.336 20 0 BEADMN C[C@@H](c1ccccc1F)N(C)CCn1cnnc1 ZINC001620549746 1170680635 /nfs/dbraw/zinc/68/06/35/1170680635.db2.gz OEWMJFVFADXYBW-NSHDSACASA-N 0 1 248.305 2.110 20 0 BEADMN CCC[C@H]1CCCN1Cc1cnns1 ZINC001620644071 1170685880 /nfs/dbraw/zinc/68/58/80/1170685880.db2.gz XTMHJKSHXOMINN-VIFPVBQESA-N 0 1 211.334 2.303 20 0 BEADMN Cc1cc([C@@H]2CCCCN2CCF)n[nH]1 ZINC001620614780 1170688045 /nfs/dbraw/zinc/68/80/45/1170688045.db2.gz BYCMUNMFMHBJCX-NSHDSACASA-N 0 1 211.284 2.215 20 0 BEADMN FC(F)(F)CCN1CC[C@@H](c2ncccn2)C1 ZINC001620619035 1170690792 /nfs/dbraw/zinc/69/07/92/1170690792.db2.gz STLPXMLPFNJFGD-SECBINFHSA-N 0 1 245.248 2.218 20 0 BEADMN CN(CCNCc1nccs1)c1ccccc1 ZINC001620712212 1170705179 /nfs/dbraw/zinc/70/51/79/1170705179.db2.gz HNEVHTVHGCRDGJ-UHFFFAOYSA-N 0 1 247.367 2.369 20 0 BEADMN Cc1nnc(SC[C@@H]2CC2(Cl)Cl)[nH]1 ZINC000022613433 1170711751 /nfs/dbraw/zinc/71/17/51/1170711751.db2.gz MIUKLVXKRCGNBO-YFKPBYRVSA-N 0 1 238.143 2.399 20 0 BEADMN O=c1[nH]ccc2oc(CNCCC(F)F)cc21 ZINC001621103372 1170715751 /nfs/dbraw/zinc/71/57/51/1170715751.db2.gz VSRWPBGKLDJROY-UHFFFAOYSA-N 0 1 242.225 2.278 20 0 BEADMN C[C@@H]1CCCN(Cc2nc(CO)cs2)CC1 ZINC001621144283 1170726082 /nfs/dbraw/zinc/72/60/82/1170726082.db2.gz ADKGQFRJIICRRJ-SNVBAGLBSA-N 0 1 240.372 2.257 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1nc(CO)cs1 ZINC001621169438 1170731865 /nfs/dbraw/zinc/73/18/65/1170731865.db2.gz JVDYVLSKRVKGQY-SECBINFHSA-N 0 1 228.361 2.112 20 0 BEADMN Cc1nnc(CN[C@H]2C[C@@H]3CCC[C@@H]32)s1 ZINC001621245995 1170753886 /nfs/dbraw/zinc/75/38/86/1170753886.db2.gz CPOWQZCESZHLMF-GUBZILKMSA-N 0 1 223.345 2.125 20 0 BEADMN COc1nc(CN2C[C@@H](C)[C@H]2C)ccc1C ZINC001621360019 1170777589 /nfs/dbraw/zinc/77/75/89/1170777589.db2.gz UDAPYOFDPUJJFZ-GHMZBOCLSA-N 0 1 220.316 2.239 20 0 BEADMN COc1nc(CN2C[C@H](C)[C@@H]2C)ccc1C ZINC001621360021 1170779285 /nfs/dbraw/zinc/77/92/85/1170779285.db2.gz UDAPYOFDPUJJFZ-QWRGUYRKSA-N 0 1 220.316 2.239 20 0 BEADMN Nc1c(F)cccc1CN1CC2(CCC2)C1 ZINC001621380826 1170786642 /nfs/dbraw/zinc/78/66/42/1170786642.db2.gz FAZUIAWYWFYZAL-UHFFFAOYSA-N 0 1 220.291 2.394 20 0 BEADMN Fc1cccnc1CNCC1=CCCC1 ZINC001621447511 1170811487 /nfs/dbraw/zinc/81/14/87/1170811487.db2.gz YCLLHUNTPCSBJD-UHFFFAOYSA-N 0 1 206.264 2.421 20 0 BEADMN CN(Cc1ccn(C)n1)C[C@@]1(C)CCCS1 ZINC001621562070 1170851946 /nfs/dbraw/zinc/85/19/46/1170851946.db2.gz MEKLAAHCVLYGQK-GFCCVEGCSA-N 0 1 239.388 2.138 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccc(Cl)cc1 ZINC000030913468 1170875594 /nfs/dbraw/zinc/87/55/94/1170875594.db2.gz BVNKIUPLGRGSKK-UHFFFAOYSA-N 0 1 235.674 2.244 20 0 BEADMN C#CCN(CC#C)CCc1cccc(Cl)c1 ZINC000035973368 1170908202 /nfs/dbraw/zinc/90/82/02/1170908202.db2.gz XDMMFGFSABZDQO-UHFFFAOYSA-N 0 1 231.726 2.451 20 0 BEADMN Cc1nc2cc(NCc3ccnn3C)ccc2[nH]1 ZINC000037139902 1170932961 /nfs/dbraw/zinc/93/29/61/1170932961.db2.gz XISMZAVJSXSCJV-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CC=CCC1 ZINC001624001105 1170995351 /nfs/dbraw/zinc/99/53/51/1170995351.db2.gz UCGZFYDDDSRUAW-UHFFFAOYSA-N 0 1 237.686 2.448 20 0 BEADMN O=C(NCC1CCCCCC1)c1[nH]ncc1F ZINC001624230750 1171029410 /nfs/dbraw/zinc/02/94/10/1171029410.db2.gz BQEMRIMOFNXDLP-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN CCC[C@@H](C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001624939260 1171064176 /nfs/dbraw/zinc/06/41/76/1171064176.db2.gz RBEPXUXRUOKWQM-VHSXEESVSA-N 0 1 249.358 2.453 20 0 BEADMN CC(=Cc1ccc(C)cc1)C(=O)Nc1c[nH]nn1 ZINC001625488269 1171103963 /nfs/dbraw/zinc/10/39/63/1171103963.db2.gz HDWNEIXJFOLWHG-JXMROGBWSA-N 0 1 242.282 2.155 20 0 BEADMN CSc1cccnc1NC(=O)c1ccon1 ZINC001628432560 1171233842 /nfs/dbraw/zinc/23/38/42/1171233842.db2.gz HNGURUWDYDYUKU-UHFFFAOYSA-N 0 1 235.268 2.044 20 0 BEADMN Cc1c(C(=O)N2CCC2(C)C)ccc2cncn21 ZINC001628457732 1171237739 /nfs/dbraw/zinc/23/77/39/1171237739.db2.gz KZQGBMFLCDMURH-UHFFFAOYSA-N 0 1 243.310 2.267 20 0 BEADMN CCC1CCC(N(C)[C@H](C)C(=O)OC)CC1 ZINC000043628937 1171311440 /nfs/dbraw/zinc/31/14/40/1171311440.db2.gz PFEWQIXZKSECJB-VOMCLLRMSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(C)c(O)c1C ZINC001630128441 1171369180 /nfs/dbraw/zinc/36/91/80/1171369180.db2.gz CMFDFVZLPOBLSY-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1cc(CCC(=O)N2[C@@H](C)CC[C@@H]2C)n[nH]1 ZINC001630191394 1171372447 /nfs/dbraw/zinc/37/24/47/1171372447.db2.gz VVGVUWSTFDOVKC-QWRGUYRKSA-N 0 1 235.331 2.050 20 0 BEADMN Cc1cc(CCC(=O)N[C@@H](C)CC(C)C)n[nH]1 ZINC001631204781 1171444395 /nfs/dbraw/zinc/44/43/95/1171444395.db2.gz SLBFPFFWUQURDW-JTQLQIEISA-N 0 1 237.347 2.202 20 0 BEADMN Cc1cc(CCC(=O)N[C@@]23C[C@@H]2CCCC3)n[nH]1 ZINC001632049104 1171493219 /nfs/dbraw/zinc/49/32/19/1171493219.db2.gz XOAJRXNUEZXQEH-FZMZJTMJSA-N 0 1 247.342 2.100 20 0 BEADMN Cc1cc(CCC(=O)N(C)CC(C)(C)C)n[nH]1 ZINC001632118052 1171495957 /nfs/dbraw/zinc/49/59/57/1171495957.db2.gz FQFLXSPJHRNQHM-UHFFFAOYSA-N 0 1 237.347 2.155 20 0 BEADMN CC[C@H](C)N(CC)C(=O)CCc1cc(C)[nH]n1 ZINC001632736156 1171534010 /nfs/dbraw/zinc/53/40/10/1171534010.db2.gz MSTMOOVMJQWUOO-NSHDSACASA-N 0 1 237.347 2.298 20 0 BEADMN CC(C)[C@H]1CCCCCN1C(=O)c1cnc[nH]1 ZINC001632831600 1171537635 /nfs/dbraw/zinc/53/76/35/1171537635.db2.gz JNILTLDCVSNFIF-GFCCVEGCSA-N 0 1 235.331 2.451 20 0 BEADMN O=C(Nc1ccsn1)c1cc(C(F)F)n[nH]1 ZINC001632966339 1171549609 /nfs/dbraw/zinc/54/96/09/1171549609.db2.gz MAQVWRPUICZOBI-UHFFFAOYSA-N 0 1 244.226 2.056 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@@H]1C ZINC001633397735 1171574734 /nfs/dbraw/zinc/57/47/34/1171574734.db2.gz OXOYEBAINIUQIW-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1[C@H](C)CCN1C(=O)CCc1cc(C)[nH]n1 ZINC001633511691 1171586461 /nfs/dbraw/zinc/58/64/61/1171586461.db2.gz MJGOSLNOJSEOJT-MFKMUULPSA-N 0 1 249.358 2.298 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000048068983 1171586900 /nfs/dbraw/zinc/58/69/00/1171586900.db2.gz ZFJNMAIKPSREGD-VXGBXAGGSA-N 0 1 227.348 2.449 20 0 BEADMN CN[C@@H](C)c1nnc(-c2ccc(OC)cc2)o1 ZINC000049538291 1171702269 /nfs/dbraw/zinc/70/22/69/1171702269.db2.gz ISRGJHQDOGIKDJ-QMMMGPOBSA-N 0 1 233.271 2.026 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CC23CCCC3)[nH]1 ZINC001635606201 1171744322 /nfs/dbraw/zinc/74/43/22/1171744322.db2.gz DXSAIMAFFNLFCJ-NSHDSACASA-N 0 1 247.342 2.169 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccc2occc2c1 ZINC001635720615 1171757321 /nfs/dbraw/zinc/75/73/21/1171757321.db2.gz DOKAEMBAMCKPFJ-UHFFFAOYSA-N 0 1 241.250 2.337 20 0 BEADMN CS[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001636203767 1171806348 /nfs/dbraw/zinc/80/63/48/1171806348.db2.gz SEXXLBIQJHHASF-QMMMGPOBSA-N 0 1 235.312 2.024 20 0 BEADMN CN[C@H](C)c1nnc(-c2ccc(C)c(F)c2)o1 ZINC000050618278 1171823385 /nfs/dbraw/zinc/82/33/85/1171823385.db2.gz NRNKTVPSAPIGLN-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN CN(Cc1ccc(N)nc1)Cc1cccc(F)c1 ZINC000050812425 1171841704 /nfs/dbraw/zinc/84/17/04/1171841704.db2.gz FXRBKJCMGQIERJ-UHFFFAOYSA-N 0 1 245.301 2.435 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001636500867 1171841253 /nfs/dbraw/zinc/84/12/53/1171841253.db2.gz PEFSVXFFVNZMKN-UMCURTJPSA-N 0 1 247.342 2.231 20 0 BEADMN C[C@H]1CN(C(=O)c2c3[nH]cnc3ccc2F)[C@H]1C ZINC001636687772 1171863753 /nfs/dbraw/zinc/86/37/53/1171863753.db2.gz DMZZGHGUQUTIIF-YUMQZZPRSA-N 0 1 247.273 2.182 20 0 BEADMN C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(F)F ZINC001637657506 1171951570 /nfs/dbraw/zinc/95/15/70/1171951570.db2.gz ZNPDZWBNEBPEKM-ZJUUUORDSA-N 0 1 248.317 2.021 20 0 BEADMN CC/C=C/CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000296388418 398137938 /nfs/dbraw/zinc/13/79/38/398137938.db2.gz JZVURHUUMFDPJL-ZJRFNNFUSA-N 0 1 205.305 2.445 20 0 BEADMN CC1CC(NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000267771286 538915581 /nfs/dbraw/zinc/91/55/81/538915581.db2.gz KWHNGHMEMBJUSY-UHFFFAOYSA-N 0 1 247.273 2.230 20 0 BEADMN OCC1(CCNCc2ncc(Cl)s2)CC1 ZINC000395809019 262792874 /nfs/dbraw/zinc/79/28/74/262792874.db2.gz WEJJDXJIAUTICA-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN Cc1ccsc1[C@@H](C)NCc1cnnn1C ZINC000287410837 398143832 /nfs/dbraw/zinc/14/38/32/398143832.db2.gz RNJGELVMPROEIJ-SECBINFHSA-N 0 1 236.344 2.036 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000062753270 349492011 /nfs/dbraw/zinc/49/20/11/349492011.db2.gz CTJDLRRAWAJGQL-VIFPVBQESA-N 0 1 237.274 2.366 20 0 BEADMN CCC[C@H](C)N(C)Cc1cc(COC)on1 ZINC000297844082 398146834 /nfs/dbraw/zinc/14/68/34/398146834.db2.gz ODWPJXBKZBOCOZ-JTQLQIEISA-N 0 1 226.320 2.441 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000062876633 349494394 /nfs/dbraw/zinc/49/43/94/349494394.db2.gz BCTJHKJQAQRYLH-CQSZACIVSA-N 0 1 233.311 2.373 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CC2CCCC2)C1 ZINC000062875705 349494781 /nfs/dbraw/zinc/49/47/81/349494781.db2.gz KEMGGYYLKJFVHI-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000300992514 349498272 /nfs/dbraw/zinc/49/82/72/349498272.db2.gz UJVAPMXCUSCYKB-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN CC(C)[C@@H]1C[C@H](N[C@H](C)C(F)F)CCO1 ZINC000389913455 398148664 /nfs/dbraw/zinc/14/86/64/398148664.db2.gz LKKSECOJKCVULD-BBBLOLIVSA-N 0 1 221.291 2.433 20 0 BEADMN C[C@H](CCO)N(C)Cc1cc(F)ccc1F ZINC000649866346 398149026 /nfs/dbraw/zinc/14/90/26/398149026.db2.gz QZLBNSWGUFOEGX-SECBINFHSA-N 0 1 229.270 2.168 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)[C@H](C)C2)nn1C ZINC000336681136 178000788 /nfs/dbraw/zinc/00/07/88/178000788.db2.gz ZKNRHYGJBMDAFU-GHMZBOCLSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000336628442 178006654 /nfs/dbraw/zinc/00/66/54/178006654.db2.gz YEHKXYXTMWYHSA-SCZZXKLOSA-N 0 1 237.303 2.119 20 0 BEADMN Cc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000336628440 178008631 /nfs/dbraw/zinc/00/86/31/178008631.db2.gz YEHKXYXTMWYHSA-PSASIEDQSA-N 0 1 237.303 2.119 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@H](C)C(F)F)CCO1 ZINC000389940685 398152930 /nfs/dbraw/zinc/15/29/30/398152930.db2.gz QHDBYMFSSPFKKC-HRDYMLBCSA-N 0 1 207.264 2.187 20 0 BEADMN COC[C@@H]1CCCN(Cc2nc(C)c(C)o2)C1 ZINC000112990066 398156007 /nfs/dbraw/zinc/15/60/07/398156007.db2.gz IFTJVCZKSYSUHF-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN Cc1cc(CNC[C@@]2(C)CCCS2)no1 ZINC000327929031 178024640 /nfs/dbraw/zinc/02/46/40/178024640.db2.gz UWAXGMPOAVYSST-LLVKDONJSA-N 0 1 226.345 2.358 20 0 BEADMN CCCN(CC(C)C)C(=O)c1cnccc1N ZINC000379793157 398169006 /nfs/dbraw/zinc/16/90/06/398169006.db2.gz BULOOIMWVBQXLN-UHFFFAOYSA-N 0 1 235.331 2.002 20 0 BEADMN Cc1cc(CN[C@@H](C)C(=O)NC(C)C)cs1 ZINC000336643806 178028832 /nfs/dbraw/zinc/02/88/32/178028832.db2.gz BGPBNNOMRZYAIA-JTQLQIEISA-N 0 1 240.372 2.059 20 0 BEADMN Cc1cc(CNCc2n[nH]c(C3CC3)n2)cs1 ZINC000294870078 178028969 /nfs/dbraw/zinc/02/89/69/178028969.db2.gz UOTQGDLRKIIRBK-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1cc(CN[C@H](C)C[C@@H]2CCCO2)no1 ZINC000309723897 178037681 /nfs/dbraw/zinc/03/76/81/178037681.db2.gz COWOCDOTBJCORK-SKDRFNHKSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C2(C)CCCC2)n[nH]1 ZINC000269106750 178054297 /nfs/dbraw/zinc/05/42/97/178054297.db2.gz QHJNCNXBHGFLMG-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)CCC2CCC2)n[nH]1 ZINC000161979112 178054643 /nfs/dbraw/zinc/05/46/43/178054643.db2.gz ZMVYPVSESQFWHL-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)c2ccsc2)n[nH]1 ZINC000161898967 178057035 /nfs/dbraw/zinc/05/70/35/178057035.db2.gz CXFRMAGKZFFMLL-QMMMGPOBSA-N 0 1 249.339 2.141 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC000178194653 178057169 /nfs/dbraw/zinc/05/71/69/178057169.db2.gz JDVVKLKEEKZPOK-ONGXEEELSA-N 0 1 237.347 2.057 20 0 BEADMN Cc1cc(CN(CC(N)=O)C(C)(C)C)cs1 ZINC000518899871 398160491 /nfs/dbraw/zinc/16/04/91/398160491.db2.gz ZBHLJEJXJKVSJE-UHFFFAOYSA-N 0 1 240.372 2.142 20 0 BEADMN Cc1ccc(C(C)(C)CN(C)[C@@H](C)C(N)=O)cc1 ZINC000072759363 398186585 /nfs/dbraw/zinc/18/65/85/398186585.db2.gz WVLFUBWFQOJQRT-LBPRGKRZSA-N 0 1 248.370 2.078 20 0 BEADMN C[C@H](NCCOCC1CCCC1)c1cnccn1 ZINC000313291582 398188527 /nfs/dbraw/zinc/18/85/27/398188527.db2.gz HJFWJGKAKLBBKG-LBPRGKRZSA-N 0 1 249.358 2.334 20 0 BEADMN Cc1cc(F)ccc1CNCc1cnn(C)c1 ZINC000050577390 178087638 /nfs/dbraw/zinc/08/76/38/178087638.db2.gz MDIHXDNYXDGFNJ-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CC/C=C\CCN[C@@H](C)c1nc(C)no1 ZINC000336748041 398196584 /nfs/dbraw/zinc/19/65/84/398196584.db2.gz CGYCOYBGZYUIFT-UDIARPCQSA-N 0 1 209.293 2.385 20 0 BEADMN Cc1ccnc(-c2nc3cccnc3c(=O)[nH]2)c1 ZINC000491762958 538921938 /nfs/dbraw/zinc/92/19/38/538921938.db2.gz QBSKYDYXDRGYNZ-UHFFFAOYSA-N 0 1 238.250 2.101 20 0 BEADMN CC/C=C\CCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000342201604 365539477 /nfs/dbraw/zinc/53/94/77/365539477.db2.gz CBYKVHNHOKVZQH-WZIXFXTNSA-N 0 1 247.404 2.096 20 0 BEADMN CCC(CC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184565867 168342249 /nfs/dbraw/zinc/34/22/49/168342249.db2.gz PGOJCTGBGIKCAL-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC(CC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184565867 168342250 /nfs/dbraw/zinc/34/22/50/168342250.db2.gz PGOJCTGBGIKCAL-UHFFFAOYSA-N 0 1 236.319 2.447 20 0 BEADMN C[C@@H]1CC[C@@H](CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000621987457 370645207 /nfs/dbraw/zinc/64/52/07/370645207.db2.gz WDJOPDRWIZRKOD-GHMZBOCLSA-N 0 1 249.358 2.240 20 0 BEADMN c1nc2c(ncnc2N[C@@H](C2CC2)C2CCC2)[nH]1 ZINC000325023547 398205903 /nfs/dbraw/zinc/20/59/03/398205903.db2.gz JIDDEUMMQHCZIA-SNVBAGLBSA-N 0 1 243.314 2.344 20 0 BEADMN CCC(CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175824963 168340995 /nfs/dbraw/zinc/34/09/95/168340995.db2.gz GEPPGJVXSJFWAI-UHFFFAOYSA-N 0 1 232.287 2.333 20 0 BEADMN CC(C)CSCCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000576285372 365551835 /nfs/dbraw/zinc/55/18/35/365551835.db2.gz FEIVVXFUBYCUCH-LLVKDONJSA-N 0 1 245.388 2.315 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356842823 168343434 /nfs/dbraw/zinc/34/34/34/168343434.db2.gz HJTWEVBFVDQYTL-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(NCCCCCC(=O)[O-])nc(C)[nH+]1 ZINC000037756712 178157994 /nfs/dbraw/zinc/15/79/94/178157994.db2.gz UZDZOPNQWRHUIC-UHFFFAOYSA-N 0 1 237.303 2.150 20 0 BEADMN Cc1cc(NCc2cnc[nH]2)ccc1F ZINC000061116845 178171134 /nfs/dbraw/zinc/17/11/34/178171134.db2.gz MYVZHKRIXORJBJ-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN Cc1cc(N[C@@H](CC(C)C)C(=O)[O-])nc(C)[nH+]1 ZINC000043441660 178180339 /nfs/dbraw/zinc/18/03/39/178180339.db2.gz MSJRKKWLVYHJQS-JTQLQIEISA-N 0 1 237.303 2.005 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2CCC[C@@H]2O)n1 ZINC000070733457 361745555 /nfs/dbraw/zinc/74/55/55/361745555.db2.gz WEYOMRXPPZFACF-GUBZILKMSA-N 0 1 226.345 2.016 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000342659296 136223449 /nfs/dbraw/zinc/22/34/49/136223449.db2.gz GQXXDUVXROKODR-MXWKQRLJSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619091 178202541 /nfs/dbraw/zinc/20/25/41/178202541.db2.gz PECDCQMLVSTTID-UTUOFQBUSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000192619091 178202545 /nfs/dbraw/zinc/20/25/45/178202545.db2.gz PECDCQMLVSTTID-UTUOFQBUSA-N 0 1 247.342 2.284 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)CC(C)C)n1 ZINC000268480153 178202849 /nfs/dbraw/zinc/20/28/49/178202849.db2.gz ZZGPEZIGHPPWJC-SNVBAGLBSA-N 0 1 223.320 2.139 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CC(C)C)n1 ZINC000268480153 178202853 /nfs/dbraw/zinc/20/28/53/178202853.db2.gz ZZGPEZIGHPPWJC-SNVBAGLBSA-N 0 1 223.320 2.139 20 0 BEADMN Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)CCC2CC2)n1 ZINC000192695558 178203022 /nfs/dbraw/zinc/20/30/22/178203022.db2.gz ACIOOBHFGWJFMA-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+](C)CCC2CC2)n1 ZINC000192695558 178203027 /nfs/dbraw/zinc/20/30/27/178203027.db2.gz ACIOOBHFGWJFMA-SNVBAGLBSA-N 0 1 235.331 2.284 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000629882977 361753790 /nfs/dbraw/zinc/75/37/90/361753790.db2.gz RCBHVJNIAPTEGN-VUDBWIFFSA-N 0 1 233.315 2.228 20 0 BEADMN Cc1cc([C@@H](C)NCC(C)(C)CCO)no1 ZINC000336752897 178222604 /nfs/dbraw/zinc/22/26/04/178222604.db2.gz WAMZZSBNPJUPOC-SNVBAGLBSA-N 0 1 226.320 2.042 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@]2(C)CCOC2)no1 ZINC000309579146 178226103 /nfs/dbraw/zinc/22/61/03/178226103.db2.gz PVTZMDFMQMWBKC-ZYHUDNBSSA-N 0 1 224.304 2.060 20 0 BEADMN COC(=O)c1cc(CN2C3CCC2CC3)[nH]c1C ZINC000602435246 349522608 /nfs/dbraw/zinc/52/26/08/349522608.db2.gz JWLIEDWEDSKGAG-UHFFFAOYSA-N 0 1 248.326 2.237 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CO)C2CCCC2)no1 ZINC000353477874 178230530 /nfs/dbraw/zinc/23/05/30/178230530.db2.gz DBYNBBIRKJAPHU-MFKMUULPSA-N 0 1 238.331 2.185 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000629951753 361800380 /nfs/dbraw/zinc/80/03/80/361800380.db2.gz AUBKPYFKNMVEEB-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000629951750 361800501 /nfs/dbraw/zinc/80/05/01/361800501.db2.gz AUBKPYFKNMVEEB-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000334494115 136225924 /nfs/dbraw/zinc/22/59/24/136225924.db2.gz ARZABJFTIKOWLM-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(C)CC[C@@H](n2cc(CNC3CC3)nn2)C1 ZINC000629942006 361786927 /nfs/dbraw/zinc/78/69/27/361786927.db2.gz ZHQBXDKUPISCHW-GFCCVEGCSA-N 0 1 234.347 2.281 20 0 BEADMN CC(C)(C)[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000280650521 538937574 /nfs/dbraw/zinc/93/75/74/538937574.db2.gz ZHRHAFHLWNIOSQ-LBPRGKRZSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cc([C@H](C)NC(=O)CN(C)C)c(C)s1 ZINC000170754434 178245977 /nfs/dbraw/zinc/24/59/77/178245977.db2.gz TVEFOERYRFXUFY-VIFPVBQESA-N 0 1 240.372 2.104 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC000629958866 361802076 /nfs/dbraw/zinc/80/20/76/361802076.db2.gz JNDDRDXQYKAPBK-HAQNSBGRSA-N 0 1 238.375 2.166 20 0 BEADMN CCC1(C)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000279665331 538935898 /nfs/dbraw/zinc/93/58/98/538935898.db2.gz GXHVZDVKCMIVQV-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C(C)C)C(C)(C)O)no1 ZINC000340507830 178251731 /nfs/dbraw/zinc/25/17/31/178251731.db2.gz NEWNBWTZMSCYJO-JQWIXIFHSA-N 0 1 240.347 2.429 20 0 BEADMN C[C@@H](NCCF)c1ccnn1-c1ccccc1 ZINC000281680947 538939522 /nfs/dbraw/zinc/93/95/22/538939522.db2.gz RKJCPZJFXWCBES-LLVKDONJSA-N 0 1 233.290 2.492 20 0 BEADMN C[C@H]1CN(Cc2ccnn2C)C[C@H](C)C1(F)F ZINC000625655281 398237258 /nfs/dbraw/zinc/23/72/58/398237258.db2.gz SVDYJANMKBBGIY-UWVGGRQHSA-N 0 1 243.301 2.143 20 0 BEADMN CCCNC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000066854471 361818320 /nfs/dbraw/zinc/81/83/20/361818320.db2.gz NGPWFRANMBRUEU-ZDUSSCGKSA-N 0 1 248.370 2.248 20 0 BEADMN Cc1cc([C@H]2CCCN2Cc2cnc[nH]2)no1 ZINC000367229241 178265931 /nfs/dbraw/zinc/26/59/31/178265931.db2.gz PLRSKQCQFJQWQE-GFCCVEGCSA-N 0 1 232.287 2.043 20 0 BEADMN CCCC1(CNC(=O)CN(C)C2CCC2)CC1 ZINC000629971973 361816882 /nfs/dbraw/zinc/81/68/82/361816882.db2.gz KLWUELCLPCLKFF-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000576524435 365617997 /nfs/dbraw/zinc/61/79/97/365617997.db2.gz YYFIUNIDVKZIIY-MRVPVSSYSA-N 0 1 239.237 2.268 20 0 BEADMN Cc1cc(C[N@H+]2CCCOCC2)cc(C)c1O ZINC000134193868 398242190 /nfs/dbraw/zinc/24/21/90/398242190.db2.gz BNDZJIIUTQKJBR-UHFFFAOYSA-N 0 1 235.327 2.231 20 0 BEADMN Cc1ccnc(NCCOCC2CC2)c1 ZINC000230147331 136227775 /nfs/dbraw/zinc/22/77/75/136227775.db2.gz JKOVRTTXLFACED-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN C[C@@H](NCCOc1cccc(F)c1)c1ncc[nH]1 ZINC000286078017 538942938 /nfs/dbraw/zinc/94/29/38/538942938.db2.gz MFKKUNBLFPVDFC-SNVBAGLBSA-N 0 1 249.289 2.278 20 0 BEADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccon1 ZINC000360428040 178300966 /nfs/dbraw/zinc/30/09/66/178300966.db2.gz LWZSVBRSIGDJFJ-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCC(CC)c1cc(CN[C@H](C)[C@H](C)O)on1 ZINC000576576995 365624783 /nfs/dbraw/zinc/62/47/83/365624783.db2.gz MILOLWYWTGSJLN-ZJUUUORDSA-N 0 1 240.347 2.437 20 0 BEADMN Cc1ccc(OCCN[C@H](C)c2ncc[nH]2)cc1 ZINC000285719820 538942168 /nfs/dbraw/zinc/94/21/68/538942168.db2.gz QCIUIKDADHHSBF-GFCCVEGCSA-N 0 1 245.326 2.448 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000576566003 365625907 /nfs/dbraw/zinc/62/59/07/365625907.db2.gz LZQVKQKEZVNSSM-GIDQFRGBSA-N 0 1 249.285 2.388 20 0 BEADMN CC[C@@H](C)[C@H](CNCc1cc(C)no1)OC ZINC000381286888 398247591 /nfs/dbraw/zinc/24/75/91/398247591.db2.gz MREHSSZCHBMDRF-SKDRFNHKSA-N 0 1 226.320 2.134 20 0 BEADMN CC(C)CCOCCN[C@H](C)c1ncc[nH]1 ZINC000286212290 538943394 /nfs/dbraw/zinc/94/33/94/538943394.db2.gz SAIWJPHPHYWGTI-LLVKDONJSA-N 0 1 225.336 2.123 20 0 BEADMN CC(C)SCC[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC000576642704 365647275 /nfs/dbraw/zinc/64/72/75/365647275.db2.gz CADWZSCYCSTPKN-JTQLQIEISA-N 0 1 245.388 2.313 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H](CC3CC3)C2)on1 ZINC000576645274 365648797 /nfs/dbraw/zinc/64/87/97/365648797.db2.gz WVTWLQXLJWLGEP-GFCCVEGCSA-N 0 1 248.326 2.499 20 0 BEADMN Cc1nc([C@@H](C)NCC(C)(C)CO)cs1 ZINC000168599168 538945531 /nfs/dbraw/zinc/94/55/31/538945531.db2.gz CBYMIFQOFVIGIW-MRVPVSSYSA-N 0 1 228.361 2.121 20 0 BEADMN Cc1nc([C@H](C)NCC(C)(C)CO)cs1 ZINC000168599261 538945557 /nfs/dbraw/zinc/94/55/57/538945557.db2.gz CBYMIFQOFVIGIW-QMMMGPOBSA-N 0 1 228.361 2.121 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)n[nH]1 ZINC000177065144 538951342 /nfs/dbraw/zinc/95/13/42/538951342.db2.gz AYPBTFWNWBVQDL-NXEZZACHSA-N 0 1 235.331 2.233 20 0 BEADMN C1=C(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000381618910 398267356 /nfs/dbraw/zinc/26/73/56/398267356.db2.gz XKPRJJNOPVOMAK-SECBINFHSA-N 0 1 205.261 2.061 20 0 BEADMN C[C@H](NCc1nn(C)cc1Cl)C1(C)CC1 ZINC000393528895 259314298 /nfs/dbraw/zinc/31/42/98/259314298.db2.gz VAQWTVXYLFZEBV-QMMMGPOBSA-N 0 1 227.739 2.352 20 0 BEADMN CSCCNCc1cc(C2CC2)no1 ZINC000602500267 349560565 /nfs/dbraw/zinc/56/05/65/349560565.db2.gz XVGMMSAXLAUOBT-UHFFFAOYSA-N 0 1 212.318 2.005 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1cn(C)nc1C ZINC000180444240 538958154 /nfs/dbraw/zinc/95/81/54/538958154.db2.gz UAQKSXCEZIJCPM-DTWKUNHWSA-N 0 1 247.346 2.172 20 0 BEADMN CC(F)(F)CN[C@@H]1CCC12CCOCC2 ZINC000378862590 346847889 /nfs/dbraw/zinc/84/78/89/346847889.db2.gz TZPCZMUVOGOKKL-SECBINFHSA-N 0 1 219.275 2.190 20 0 BEADMN CCCC1CCC(N(C)CC(=O)OC)CC1 ZINC000179948071 534923828 /nfs/dbraw/zinc/92/38/28/534923828.db2.gz HTSNFILBZWZVGX-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1cncc(C)c1 ZINC000181030018 538959566 /nfs/dbraw/zinc/95/95/66/538959566.db2.gz UTWBSJPOFVEFJP-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN CCCCN(C)Cc1cc2n(n1)CCCC2 ZINC000649474811 398273938 /nfs/dbraw/zinc/27/39/38/398273938.db2.gz VPEVWJMZJMNNMJ-UHFFFAOYSA-N 0 1 221.348 2.451 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCCCF ZINC000650501126 398274857 /nfs/dbraw/zinc/27/48/57/398274857.db2.gz OMCMBPKLTFYNQA-NXEZZACHSA-N 0 1 217.284 2.064 20 0 BEADMN CS[C@@H]1CCCCN(Cc2nc(C)c[nH]2)C1 ZINC000600133251 342687321 /nfs/dbraw/zinc/68/73/21/342687321.db2.gz PBAQKNJOPHDXES-LLVKDONJSA-N 0 1 239.388 2.436 20 0 BEADMN COC[C@@H](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000649477510 398275669 /nfs/dbraw/zinc/27/56/69/398275669.db2.gz SBFQGQWZQSUNHX-ZETCQYMHSA-N 0 1 238.312 2.222 20 0 BEADMN Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)c(C)c1 ZINC000189105581 346858905 /nfs/dbraw/zinc/85/89/05/346858905.db2.gz DMNNTTKQPUNLED-ZDUSSCGKSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1ccc(CN2CCCNC(=O)[C@@H]2C)c(C)c1 ZINC000189105581 346858908 /nfs/dbraw/zinc/85/89/08/346858908.db2.gz DMNNTTKQPUNLED-ZDUSSCGKSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@H](CC(F)(F)F)NCc1ccc(CO)o1 ZINC000231750406 342693680 /nfs/dbraw/zinc/69/36/80/342693680.db2.gz DUFFNKFWAXEVAF-SSDOTTSWSA-N 0 1 237.221 2.202 20 0 BEADMN Cc1ccc2nc(S[C@@H]3CCOC3=O)[nH]c2c1 ZINC000004485960 342748353 /nfs/dbraw/zinc/74/83/53/342748353.db2.gz SPMSNQDVDBXXQZ-SNVBAGLBSA-N 0 1 248.307 2.279 20 0 BEADMN CCC(CC)NC(=O)[C@H](N)c1ccccc1C ZINC000294756860 168384152 /nfs/dbraw/zinc/38/41/52/168384152.db2.gz LGZPGSLQYWAVLJ-CYBMUJFWSA-N 0 1 234.343 2.300 20 0 BEADMN COc1cccc([NH+]=c2[n-]nc(C)n2C2CC2)c1 ZINC000583940699 342728877 /nfs/dbraw/zinc/72/88/77/342728877.db2.gz PGTNDVLZISQSGS-UHFFFAOYSA-N 0 1 244.298 2.096 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000399533878 342736161 /nfs/dbraw/zinc/73/61/61/342736161.db2.gz OCEAMDVXRXBYBH-GXFFZTMASA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)CN(C)C1CCC1 ZINC000630006431 361890438 /nfs/dbraw/zinc/89/04/38/361890438.db2.gz ODPYFBFXZHLNSH-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1NC(=O)CN(C)C1CCC1 ZINC000630007129 361892065 /nfs/dbraw/zinc/89/20/65/361892065.db2.gz GIYHNYKEMHOZFA-GXTWGEPZSA-N 0 1 238.375 2.022 20 0 BEADMN CCC(CC)NC(=O)c1cccc2nc[nH]c21 ZINC000157828443 168386255 /nfs/dbraw/zinc/38/62/55/168386255.db2.gz ZFESULYQJJEOEM-UHFFFAOYSA-N 0 1 231.299 2.481 20 0 BEADMN CCCC(C)(C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629990986 361876067 /nfs/dbraw/zinc/87/60/67/361876067.db2.gz YUAQKQMKZRJACU-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN CCCC(C)(C)NC(=O)CN(C)C1CCC1 ZINC000629990986 361876072 /nfs/dbraw/zinc/87/60/72/361876072.db2.gz YUAQKQMKZRJACU-UHFFFAOYSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H]1CCC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC000629989311 361876151 /nfs/dbraw/zinc/87/61/51/361876151.db2.gz RWRQGOYBMHHBQH-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)CN(C)C1CCC1 ZINC000629989308 361876190 /nfs/dbraw/zinc/87/61/90/361876190.db2.gz RWRQGOYBMHHBQH-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CN[C@H](C)c1cnccn1)OCC ZINC000624048070 342764463 /nfs/dbraw/zinc/76/44/63/342764463.db2.gz AZRQWBIAKJTVKX-VXGBXAGGSA-N 0 1 237.347 2.332 20 0 BEADMN CCC(CC)NC(=O)c1n[nH]c2ccccc21 ZINC000068935547 168386721 /nfs/dbraw/zinc/38/67/21/168386721.db2.gz IWNCUQLDQCMXDP-UHFFFAOYSA-N 0 1 231.299 2.481 20 0 BEADMN C[C@@H]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC000630003196 361886119 /nfs/dbraw/zinc/88/61/19/361886119.db2.gz WEUVLLJHCNHGLK-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(Cl)o2)C1 ZINC000335609716 136236854 /nfs/dbraw/zinc/23/68/54/136236854.db2.gz FAXNHCDCKFJWSJ-ZJUUUORDSA-N 0 1 243.734 2.383 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1Cc1cccc(N(C)C)c1 ZINC000607724121 342780577 /nfs/dbraw/zinc/78/05/77/342780577.db2.gz FZMSBMZIQZEMSO-OLZOCXBDSA-N 0 1 248.370 2.362 20 0 BEADMN Cc1cnc(CNC[C@@]2(C)CCCS2)o1 ZINC000382317580 361897003 /nfs/dbraw/zinc/89/70/03/361897003.db2.gz SANYWIMOLCIWFW-LLVKDONJSA-N 0 1 226.345 2.358 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000309674449 342783936 /nfs/dbraw/zinc/78/39/36/342783936.db2.gz LFIBJKDINMBXPD-JTQLQIEISA-N 0 1 223.272 2.281 20 0 BEADMN CCc1cccc(CNC[C@H](O)C(F)(F)F)c1 ZINC000649487383 398285031 /nfs/dbraw/zinc/28/50/31/398285031.db2.gz BQXJUCLXHYDXMN-NSHDSACASA-N 0 1 247.260 2.262 20 0 BEADMN Cc1cc(CNC[C@@H](O)CC2CCCC2)on1 ZINC000232130634 342789166 /nfs/dbraw/zinc/78/91/66/342789166.db2.gz HWLUNVMXDNNMSI-LBPRGKRZSA-N 0 1 238.331 2.014 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC000185415789 538970249 /nfs/dbraw/zinc/97/02/49/538970249.db2.gz QIEGKSMWYIPXCE-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN Cc1ncc(C(=O)N2Cc3cccc(F)c3C2)[nH]1 ZINC000622692914 342796966 /nfs/dbraw/zinc/79/69/66/342796966.db2.gz RBXWHNYXPGXRKE-UHFFFAOYSA-N 0 1 245.257 2.013 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000032015457 342797088 /nfs/dbraw/zinc/79/70/88/342797088.db2.gz YVRQFXAGBZAWHX-QMMMGPOBSA-N 0 1 227.691 2.245 20 0 BEADMN COCCc1cc(=O)n(-c2ccccc2C)[nH]1 ZINC000634581926 342797541 /nfs/dbraw/zinc/79/75/41/342797541.db2.gz HPPLTWWXVHWQIJ-UHFFFAOYSA-N 0 1 232.283 2.124 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(F)cccc1Cl ZINC000032102290 342797613 /nfs/dbraw/zinc/79/76/13/342797613.db2.gz XJRXELKANLJNTH-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN C[C@H]1CCc2[nH]n(-c3ccccc3)c(=O)c21 ZINC000634582417 342798105 /nfs/dbraw/zinc/79/81/05/342798105.db2.gz SRWCGUCHLIOZKU-JOYOIKCWSA-N 0 1 214.268 2.435 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccccc3)[nH]c21 ZINC000634582741 342798445 /nfs/dbraw/zinc/79/84/45/342798445.db2.gz ZNSBHYFGGVSYOM-ONGXEEELSA-N 0 1 214.268 2.435 20 0 BEADMN CO[C@H]1C[C@@H](CNc2ccnc(C)c2Cl)C1 ZINC000624756675 342825435 /nfs/dbraw/zinc/82/54/35/342825435.db2.gz MQHBDCNFMSHNBI-AOOOYVTPSA-N 0 1 240.734 2.302 20 0 BEADMN Cc1cnc(CCN2CCO[C@@H](C)[C@@H]2C)c(C)c1 ZINC000335464621 398289576 /nfs/dbraw/zinc/28/95/76/398289576.db2.gz XMUDOUSIXMARNC-KBPBESRZSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1cncc(CCN(C)Cc2ccoc2)n1 ZINC000649494353 398289577 /nfs/dbraw/zinc/28/95/77/398289577.db2.gz LEHYWMCXOQIJRV-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN COC[C@@H](C)CNC1(C(F)F)CCCC1 ZINC000380167475 538986460 /nfs/dbraw/zinc/98/64/60/538986460.db2.gz FKZLWGAAWQTXBC-VIFPVBQESA-N 0 1 221.291 2.436 20 0 BEADMN CC(C)Cn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634584098 342828696 /nfs/dbraw/zinc/82/86/96/342828696.db2.gz RWCKPGSMNWFGLO-ZJUUUORDSA-N 0 1 208.305 2.277 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCCC2(F)F)CCO1 ZINC000380246042 538987998 /nfs/dbraw/zinc/98/79/98/538987998.db2.gz OFDMRYXRFMCTOM-UTLUCORTSA-N 0 1 219.275 2.331 20 0 BEADMN Cc1noc([C@H](C)NCCC2CCC2)n1 ZINC000380337351 538989206 /nfs/dbraw/zinc/98/92/06/538989206.db2.gz QKCPWURXEAEOIL-QMMMGPOBSA-N 0 1 209.293 2.219 20 0 BEADMN OC1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000380359899 538989496 /nfs/dbraw/zinc/98/94/96/538989496.db2.gz XXLWNEZXPWSBDQ-RTBKNWGFSA-N 0 1 219.275 2.067 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccsc2)no1 ZINC000071001524 361928988 /nfs/dbraw/zinc/92/89/88/361928988.db2.gz CLUNRMBMMINZCA-ZETCQYMHSA-N 0 1 223.301 2.469 20 0 BEADMN CO[C@H]1CCC[C@H](NCC(C)(F)F)C1 ZINC000381971746 398290939 /nfs/dbraw/zinc/29/09/39/398290939.db2.gz CCXDXCLLYOCOFE-IUCAKERBSA-N 0 1 207.264 2.189 20 0 BEADMN CO[C@@H]1CCC[C@@H](NCC(C)(F)F)C1 ZINC000381971750 398291082 /nfs/dbraw/zinc/29/10/82/398291082.db2.gz CCXDXCLLYOCOFE-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN C[C@H](N[C@@H]1CCCC1(F)F)[C@@H]1CCOC1 ZINC000379877372 538981025 /nfs/dbraw/zinc/98/10/25/538981025.db2.gz AUCDICXADYPDFI-IVZWLZJFSA-N 0 1 219.275 2.189 20 0 BEADMN C[C@@H]1Oc2ccccc2[C@H]1NC1CSC1 ZINC000379919355 538981659 /nfs/dbraw/zinc/98/16/59/538981659.db2.gz GEFYLBGDKIWEOW-UFBFGSQYSA-N 0 1 221.325 2.214 20 0 BEADMN C[C@H](N[C@@H]1CCC(F)(F)C1)c1nccn1C ZINC000381510501 539002929 /nfs/dbraw/zinc/00/29/29/539002929.db2.gz QVIPCQRZONEAHB-DTWKUNHWSA-N 0 1 229.274 2.259 20 0 BEADMN Cc1occc1CN[C@@H](C)c1ccnn1C ZINC000381531010 539003324 /nfs/dbraw/zinc/00/33/24/539003324.db2.gz ZBGFZWQYUURJFG-VIFPVBQESA-N 0 1 219.288 2.172 20 0 BEADMN Cc1occc1CN[C@H](C)c1ccnn1C ZINC000381531009 539003419 /nfs/dbraw/zinc/00/34/19/539003419.db2.gz ZBGFZWQYUURJFG-SECBINFHSA-N 0 1 219.288 2.172 20 0 BEADMN C[C@@H](NC(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000193338729 539004869 /nfs/dbraw/zinc/00/48/69/539004869.db2.gz UXVKTAHAMVGVFH-LLVKDONJSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC000193386904 539005284 /nfs/dbraw/zinc/00/52/84/539005284.db2.gz YMRMBWNAAJTKSI-AWEZNQCLSA-N 0 1 249.358 2.381 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC000193809928 539007545 /nfs/dbraw/zinc/00/75/45/539007545.db2.gz SKAXGMBKNFXYEQ-GRYCIOLGSA-N 0 1 249.358 2.283 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NCC[N@@H+](C)CC ZINC000341673871 168398870 /nfs/dbraw/zinc/39/88/70/168398870.db2.gz FYABUZCUVFHXRI-LLVKDONJSA-N 0 1 228.380 2.127 20 0 BEADMN C/C=C/CN[C@H](c1nccn1C)C1CC1 ZINC000624198391 342835431 /nfs/dbraw/zinc/83/54/31/342835431.db2.gz NSNVYEUUYDXYOA-UFFNRZRYSA-N 0 1 205.305 2.037 20 0 BEADMN Cc1noc([C@@H](C)NC[C@@]2(C)CCCS2)n1 ZINC000390505936 539022652 /nfs/dbraw/zinc/02/26/52/539022652.db2.gz XAYRBXUQPVLVSL-LDYMZIIASA-N 0 1 241.360 2.314 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ncn(C)n1 ZINC000391945225 398298374 /nfs/dbraw/zinc/29/83/74/398298374.db2.gz VSYSNXYYAUFNFA-WOPDTQHZSA-N 0 1 236.363 2.435 20 0 BEADMN OCC1(NCc2cscc2Cl)CCC1 ZINC000389238520 539015689 /nfs/dbraw/zinc/01/56/89/539015689.db2.gz XBUXHQGTIMYWDM-UHFFFAOYSA-N 0 1 231.748 2.406 20 0 BEADMN Cc1ccoc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000335633744 136241894 /nfs/dbraw/zinc/24/18/94/136241894.db2.gz LNYFPZZREYYYLL-NEPJUHHUSA-N 0 1 223.316 2.181 20 0 BEADMN CCC[C@H](C)CCCN1CCN(C(C)=O)CC1 ZINC000625064622 342847268 /nfs/dbraw/zinc/84/72/68/342847268.db2.gz JRCGNLJDNYOZJC-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CCC1CCN(Cc2cncc(OC)n2)CC1 ZINC000625097180 342852275 /nfs/dbraw/zinc/85/22/75/342852275.db2.gz UMYRDUHZZWEBRB-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC(C)CO[C@H]1CCN(Cc2cncs2)C1 ZINC000091964179 398304314 /nfs/dbraw/zinc/30/43/14/398304314.db2.gz NCMBQVKKWNYFNN-NSHDSACASA-N 0 1 240.372 2.390 20 0 BEADMN CC(C)[C@@H]1C[C@@H](NCC(C)(F)F)CCO1 ZINC000382097694 398304864 /nfs/dbraw/zinc/30/48/64/398304864.db2.gz FJIDXGZSTXBULL-UWVGGRQHSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@@H](CC1CCOCC1)NCC(C)(F)F ZINC000382101594 398305484 /nfs/dbraw/zinc/30/54/84/398305484.db2.gz GWTHMMSMPMGDME-VIFPVBQESA-N 0 1 221.291 2.436 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCc1ccccc1 ZINC000092940230 398307650 /nfs/dbraw/zinc/30/76/50/398307650.db2.gz MYMNNABFFJZYLD-GXTWGEPZSA-N 0 1 247.338 2.414 20 0 BEADMN COc1cncc(C[N@H+]2CCC[C@H](C)CC2)n1 ZINC000625108098 342859313 /nfs/dbraw/zinc/85/93/13/342859313.db2.gz AJHUZSVUAUDDBJ-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN FC1(F)CCC[C@@H]1CSc1cn[nH]n1 ZINC000336255251 398317321 /nfs/dbraw/zinc/31/73/21/398317321.db2.gz FXOAUNLGVKEMPZ-ZCFIWIBFSA-N 0 1 219.260 2.332 20 0 BEADMN CC[C@H](C)CNCc1n[nH]cc1Br ZINC000388664813 342884873 /nfs/dbraw/zinc/88/48/73/342884873.db2.gz WKARUNUAWINOPN-ZETCQYMHSA-N 0 1 246.152 2.308 20 0 BEADMN C=C(CC)C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232822749 342886140 /nfs/dbraw/zinc/88/61/40/342886140.db2.gz HOUFSTBIRPACGA-CYBMUJFWSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000513250760 529410009 /nfs/dbraw/zinc/41/00/09/529410009.db2.gz XVPFTZVIKQAOQD-NDBYEHHHSA-N 0 1 240.391 2.220 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000019472190 398313638 /nfs/dbraw/zinc/31/36/38/398313638.db2.gz UZXBVHGKIYGAJQ-FZMZJTMJSA-N 0 1 246.354 2.006 20 0 BEADMN C[C@@H](NCc1ccnn1C)c1cccs1 ZINC000036901263 342912948 /nfs/dbraw/zinc/91/29/48/342912948.db2.gz YHZSQCPOMMJIHY-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN CCCCN1N=C2c3ccccc3C[C@H]2C1=O ZINC000634585335 342928247 /nfs/dbraw/zinc/92/82/47/342928247.db2.gz DEKXEHMIXWAZIL-GFCCVEGCSA-N 0 1 228.295 2.205 20 0 BEADMN COc1cncc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000625211651 342914467 /nfs/dbraw/zinc/91/44/67/342914467.db2.gz ZRJZBQAUURDUIN-GHMZBOCLSA-N 0 1 235.331 2.106 20 0 BEADMN CC[N@@H+](CC(=O)NCc1ccccc1C)C1CC1 ZINC000045770958 342918749 /nfs/dbraw/zinc/91/87/49/342918749.db2.gz IMYRYVAQVUEKHQ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CCN(CC(=O)NCc1ccccc1C)C1CC1 ZINC000045770958 342918751 /nfs/dbraw/zinc/91/87/51/342918751.db2.gz IMYRYVAQVUEKHQ-UHFFFAOYSA-N 0 1 246.354 2.096 20 0 BEADMN CC[C@@H](C)NC(=O)C[N@@H+](CC)C1CCCC1 ZINC000047965554 342930656 /nfs/dbraw/zinc/93/06/56/342930656.db2.gz VAWDBHMUIIWFPU-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN COC[C@H](N[C@H](C)c1ccoc1)[C@H]1CCCO1 ZINC000562425525 323019449 /nfs/dbraw/zinc/01/94/49/323019449.db2.gz FGVLXNGDYHNHGI-KGYLQXTDSA-N 0 1 239.315 2.124 20 0 BEADMN Cc1cc(CN(C(C)C)C2CCOCC2)no1 ZINC000119647710 398328141 /nfs/dbraw/zinc/32/81/41/398328141.db2.gz XINRMMOVKMMVMQ-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000174533061 346882839 /nfs/dbraw/zinc/88/28/39/346882839.db2.gz IKTGVBDDOLZTRU-ZJUUUORDSA-N 0 1 238.335 2.198 20 0 BEADMN CC(C)(C)CN1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634587963 342933218 /nfs/dbraw/zinc/93/32/18/342933218.db2.gz DYVBVJLGSGSWIL-LBPRGKRZSA-N 0 1 242.322 2.451 20 0 BEADMN CC1(c2cc(=O)n(C3CCCC3)[nH]2)CC1 ZINC000634588635 342934232 /nfs/dbraw/zinc/93/42/32/342934232.db2.gz ZRZCNQNQBCDXEM-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN C[C@H]1CCc2[nH]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591440 342941958 /nfs/dbraw/zinc/94/19/58/342941958.db2.gz DDHIQZUTEJPWKP-JQWIXIFHSA-N 0 1 243.310 2.216 20 0 BEADMN CCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367576509 398343347 /nfs/dbraw/zinc/34/33/47/398343347.db2.gz QOUGLUTXDLLSSU-OLZOCXBDSA-N 0 1 227.348 2.056 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)N(C)C ZINC000635650260 398344246 /nfs/dbraw/zinc/34/42/46/398344246.db2.gz WJOOKWDAWJLSFY-QJPTWQEYSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)N(C)C ZINC000635650261 398344256 /nfs/dbraw/zinc/34/42/56/398344256.db2.gz WJOOKWDAWJLSFY-TUAOUCFPSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](F)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351760627 136252502 /nfs/dbraw/zinc/25/25/02/136252502.db2.gz VIWICWLQVCUJRO-UWVGGRQHSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@H](F)CCN1CCC[C@H]1c1ncc[nH]1 ZINC000351760627 136252503 /nfs/dbraw/zinc/25/25/03/136252503.db2.gz VIWICWLQVCUJRO-UWVGGRQHSA-N 0 1 211.284 2.295 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ncccc1Cl ZINC000634594886 342956224 /nfs/dbraw/zinc/95/62/24/342956224.db2.gz JXVGZIIBWDYRSR-SSDOTTSWSA-N 0 1 235.674 2.238 20 0 BEADMN COC1CC(N(C)Cc2nc3ccccc3o2)C1 ZINC000352212746 536719907 /nfs/dbraw/zinc/71/99/07/536719907.db2.gz RQDFYPNAIMOOIA-UHFFFAOYSA-N 0 1 246.310 2.437 20 0 BEADMN CC[C@@](C)(CNCc1nccs1)OC ZINC000322587287 488192393 /nfs/dbraw/zinc/19/23/93/488192393.db2.gz FIKVNVWCGCFEPH-JTQLQIEISA-N 0 1 214.334 2.048 20 0 BEADMN COc1ccc(CN2N=C(C)[C@@H](C)C2=O)cc1 ZINC000634597186 342973200 /nfs/dbraw/zinc/97/32/00/342973200.db2.gz DBVTXADGYNPRJB-SECBINFHSA-N 0 1 232.283 2.049 20 0 BEADMN COc1ccc(Cn2[nH]c(C)c(C)c2=O)cc1 ZINC000634597186 342973202 /nfs/dbraw/zinc/97/32/02/342973202.db2.gz DBVTXADGYNPRJB-SECBINFHSA-N 0 1 232.283 2.049 20 0 BEADMN COc1ccc(Cn2[nH]c3c(c2=O)CCC3)cc1 ZINC000634597485 342974444 /nfs/dbraw/zinc/97/44/44/342974444.db2.gz LNHFVAUCRKQDLZ-LBPRGKRZSA-N 0 1 244.294 2.194 20 0 BEADMN CCC1=NN(Cc2ccc(OC)cc2)C(=O)[C@@H]1C ZINC000634597594 342974460 /nfs/dbraw/zinc/97/44/60/342974460.db2.gz ODUSNTMIJKUIOK-SNVBAGLBSA-N 0 1 246.310 2.440 20 0 BEADMN CCc1[nH]n(Cc2ccc(OC)cc2)c(=O)c1C ZINC000634597594 342974462 /nfs/dbraw/zinc/97/44/62/342974462.db2.gz ODUSNTMIJKUIOK-SNVBAGLBSA-N 0 1 246.310 2.440 20 0 BEADMN C[C@H](C1CC1)N1N=C2c3ccccc3C[C@H]2C1=O ZINC000634597495 342974473 /nfs/dbraw/zinc/97/44/73/342974473.db2.gz LXNJGLAJQYUDKM-NOZJJQNGSA-N 0 1 240.306 2.204 20 0 BEADMN CSC1(CNCc2ccn(C(C)C)n2)CC1 ZINC000235023990 342976789 /nfs/dbraw/zinc/97/67/89/342976789.db2.gz OELULYMLDHDPIR-UHFFFAOYSA-N 0 1 239.388 2.449 20 0 BEADMN Cc1cc(=O)n(Cc2cc(F)ccc2F)[nH]1 ZINC000634596253 342966075 /nfs/dbraw/zinc/96/60/75/342966075.db2.gz AGSIJAYFOHWWCP-UHFFFAOYSA-N 0 1 224.210 2.073 20 0 BEADMN C[C@@H](F)CCN1CCN(Cc2ccco2)CC1 ZINC000351851673 136257546 /nfs/dbraw/zinc/25/75/46/136257546.db2.gz JMFGRLZBIARLBZ-GFCCVEGCSA-N 0 1 240.322 2.145 20 0 BEADMN COCCN(CC[C@@H](C)F)Cc1ccco1 ZINC000351858124 136258905 /nfs/dbraw/zinc/25/89/05/136258905.db2.gz JNGGUGOORGLRBP-LLVKDONJSA-N 0 1 229.295 2.476 20 0 BEADMN C(C[C@H]1CCOC1)Sc1nc(C2CC2)n[nH]1 ZINC000562699502 323027784 /nfs/dbraw/zinc/02/77/84/323027784.db2.gz MJHUVFMVAYUNHY-MRVPVSSYSA-N 0 1 239.344 2.201 20 0 BEADMN C(C[C@H]1CCOC1)Sc1n[nH]c(C2CC2)n1 ZINC000562699502 323027785 /nfs/dbraw/zinc/02/77/85/323027785.db2.gz MJHUVFMVAYUNHY-MRVPVSSYSA-N 0 1 239.344 2.201 20 0 BEADMN O=C1[C@@H]2CCCCCCC2=NN1c1ccncn1 ZINC000634600513 342993199 /nfs/dbraw/zinc/99/31/99/342993199.db2.gz JWYOODWXCVGOIH-SNVBAGLBSA-N 0 1 244.298 2.150 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352004725 534931076 /nfs/dbraw/zinc/93/10/76/534931076.db2.gz POAKNOMBVIQKOY-JHJVBQTASA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC000335900604 136259248 /nfs/dbraw/zinc/25/92/48/136259248.db2.gz PLEGCHRITWSJIO-GHMZBOCLSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1ccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)nc1 ZINC000634598371 342983207 /nfs/dbraw/zinc/98/32/07/342983207.db2.gz JDORODCZSIYSDL-ZJUUUORDSA-N 0 1 229.283 2.139 20 0 BEADMN CCCc1cc(=O)n(CCc2ccncc2)[nH]1 ZINC000634599511 342988617 /nfs/dbraw/zinc/98/86/17/342988617.db2.gz KJPIUESZGKSGBF-UHFFFAOYSA-N 0 1 231.299 2.013 20 0 BEADMN Cc1cccc(N2N=C3CCCC[C@H]3C2=O)n1 ZINC000634613265 343010572 /nfs/dbraw/zinc/01/05/72/343010572.db2.gz UEJJQXXSJHXPHK-SNVBAGLBSA-N 0 1 229.283 2.283 20 0 BEADMN CC1=NN(Cc2ccccc2F)C(=O)[C@H]1C ZINC000634608018 343003697 /nfs/dbraw/zinc/00/36/97/343003697.db2.gz OJLFARJGLQXFTD-QMMMGPOBSA-N 0 1 220.247 2.180 20 0 BEADMN Cc1[nH]n(Cc2ccccc2F)c(=O)c1C ZINC000634608018 343003699 /nfs/dbraw/zinc/00/36/99/343003699.db2.gz OJLFARJGLQXFTD-QMMMGPOBSA-N 0 1 220.247 2.180 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccncc1Cl ZINC000634608661 343004396 /nfs/dbraw/zinc/00/43/96/343004396.db2.gz JEPVQXXOFGKIFS-ZETCQYMHSA-N 0 1 235.674 2.238 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1Cl)CCC2 ZINC000634608661 343004398 /nfs/dbraw/zinc/00/43/98/343004398.db2.gz JEPVQXXOFGKIFS-ZETCQYMHSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccncc3Cl)[nH]c21 ZINC000634608623 343004432 /nfs/dbraw/zinc/00/44/32/343004432.db2.gz IAOWPLJLSGMSSJ-SFYZADRCSA-N 0 1 249.701 2.484 20 0 BEADMN O=c1c2c([nH]n1CCc1ccccc1F)CCC2 ZINC000634612213 343009016 /nfs/dbraw/zinc/00/90/16/343009016.db2.gz RRFFEAJGDSHBDM-LLVKDONJSA-N 0 1 246.285 2.367 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000211526066 342994469 /nfs/dbraw/zinc/99/44/69/342994469.db2.gz DCOKDKVZROALDY-WDDYJBPVSA-N 0 1 219.284 2.105 20 0 BEADMN CCCc1nc(C[N@H+](C)CCC(=O)[O-])cs1 ZINC000037932750 343014217 /nfs/dbraw/zinc/01/42/17/343014217.db2.gz UJVMWTAUARGSBY-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN CCCc1nc(C[N@@H+](C)CCC(=O)[O-])cs1 ZINC000037932750 343014220 /nfs/dbraw/zinc/01/42/20/343014220.db2.gz UJVMWTAUARGSBY-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN C[C@@H]1CN([C@@H](C(=O)OC(C)(C)C)C2CC2)[C@@H]1C ZINC000602834039 349760661 /nfs/dbraw/zinc/76/06/61/349760661.db2.gz YSZBZSYCQJPDBN-CKYFFXLPSA-N 0 1 239.359 2.447 20 0 BEADMN C[C@@H]1CN([C@H](C(=O)OC(C)(C)C)C2CC2)[C@H]1C ZINC000602834042 349761085 /nfs/dbraw/zinc/76/10/85/349761085.db2.gz YSZBZSYCQJPDBN-SCVCMEIPSA-N 0 1 239.359 2.447 20 0 BEADMN CCCCCn1[nH]c(C[C@H]2CCCO2)cc1=O ZINC000634618794 343017613 /nfs/dbraw/zinc/01/76/13/343017613.db2.gz DGOCCMKQYPTFQP-GFCCVEGCSA-N 0 1 238.331 2.334 20 0 BEADMN Cc1cc(-n2[nH]c3c(c2=O)[C@H](C)CC3)ccn1 ZINC000634619149 343017895 /nfs/dbraw/zinc/01/78/95/343017895.db2.gz QFXSAROSHYYNKI-PRHODGIISA-N 0 1 229.283 2.139 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nnc2n1CCCC2 ZINC000335904063 136260319 /nfs/dbraw/zinc/26/03/19/136260319.db2.gz SNBJHLXIQFRZEK-NWDGAFQWSA-N 0 1 248.374 2.377 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nnc2n1CCCC2 ZINC000335904064 136260355 /nfs/dbraw/zinc/26/03/55/136260355.db2.gz SNBJHLXIQFRZEK-RYUDHWBXSA-N 0 1 248.374 2.377 20 0 BEADMN CC[C@@H](C)c1cc(=O)n(CCOC(C)C)[nH]1 ZINC000634620110 343018900 /nfs/dbraw/zinc/01/89/00/343018900.db2.gz TZEWQGGIXFZSCV-SNVBAGLBSA-N 0 1 226.320 2.046 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccc2n[nH]cc2c1 ZINC000634621068 343020106 /nfs/dbraw/zinc/02/01/06/343020106.db2.gz YUMOWWOOXILQBB-JTQLQIEISA-N 0 1 240.266 2.066 20 0 BEADMN O=c1c2c([nH]n1-c1ccc3n[nH]cc3c1)CCC2 ZINC000634621068 343020108 /nfs/dbraw/zinc/02/01/08/343020108.db2.gz YUMOWWOOXILQBB-JTQLQIEISA-N 0 1 240.266 2.066 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccc2n[nH]cc2c1 ZINC000634621069 343020128 /nfs/dbraw/zinc/02/01/28/343020128.db2.gz YUMOWWOOXILQBB-SNVBAGLBSA-N 0 1 240.266 2.066 20 0 BEADMN O=c1c2c([nH]n1-c1ccc3n[nH]cc3c1)CCC2 ZINC000634621069 343020129 /nfs/dbraw/zinc/02/01/29/343020129.db2.gz YUMOWWOOXILQBB-SNVBAGLBSA-N 0 1 240.266 2.066 20 0 BEADMN CC(C)c1cc(=O)n([C@@H]2CCOC(C)(C)C2)[nH]1 ZINC000634622021 343020779 /nfs/dbraw/zinc/02/07/79/343020779.db2.gz VPLOFKJSXSKVDT-SNVBAGLBSA-N 0 1 238.331 2.188 20 0 BEADMN COc1cc(F)ccc1-n1[nH]c(C)c(C)c1=O ZINC000634624734 343026084 /nfs/dbraw/zinc/02/60/84/343026084.db2.gz PIJUDVAAJAGIHZ-SSDOTTSWSA-N 0 1 236.246 2.193 20 0 BEADMN CCCCC1=NN([C@H]2CCCOC2)C(=O)[C@@H]1C ZINC000634623190 343026874 /nfs/dbraw/zinc/02/68/74/343026874.db2.gz YYXRNPQIPGYVPG-MNOVXSKESA-N 0 1 238.331 2.190 20 0 BEADMN CCCCc1[nH]n([C@H]2CCCOC2)c(=O)c1C ZINC000634623190 343026877 /nfs/dbraw/zinc/02/68/77/343026877.db2.gz YYXRNPQIPGYVPG-MNOVXSKESA-N 0 1 238.331 2.190 20 0 BEADMN Cc1ccc(O)c(CNCc2cnccc2C)n1 ZINC000162623790 349755839 /nfs/dbraw/zinc/75/58/39/349755839.db2.gz IQNGXSDNOIDTTH-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1cccc(F)c1F ZINC000634613737 343011418 /nfs/dbraw/zinc/01/14/18/343011418.db2.gz HEDAQSHLEVCWRQ-SSDOTTSWSA-N 0 1 236.221 2.468 20 0 BEADMN O=c1c2c([nH]n1-c1cccc(F)c1F)CCC2 ZINC000634613737 343011420 /nfs/dbraw/zinc/01/14/20/343011420.db2.gz HEDAQSHLEVCWRQ-SSDOTTSWSA-N 0 1 236.221 2.468 20 0 BEADMN CCC1=NN([C@H](C)c2ccncc2)C(=O)[C@H]1C ZINC000634626293 343028153 /nfs/dbraw/zinc/02/81/53/343028153.db2.gz AYSNQBHTHQGMBR-VHSXEESVSA-N 0 1 231.299 2.387 20 0 BEADMN CCc1[nH]n([C@H](C)c2ccncc2)c(=O)c1C ZINC000634626293 343028154 /nfs/dbraw/zinc/02/81/54/343028154.db2.gz AYSNQBHTHQGMBR-VHSXEESVSA-N 0 1 231.299 2.387 20 0 BEADMN CCCCC1=NN(CC(C)(C)CO)C(=O)[C@@H]1C ZINC000634626471 343028163 /nfs/dbraw/zinc/02/81/63/343028163.db2.gz FRAJMPNUVLUPBI-SNVBAGLBSA-N 0 1 240.347 2.029 20 0 BEADMN CCCCc1[nH]n(CC(C)(C)CO)c(=O)c1C ZINC000634626471 343028164 /nfs/dbraw/zinc/02/81/64/343028164.db2.gz FRAJMPNUVLUPBI-SNVBAGLBSA-N 0 1 240.347 2.029 20 0 BEADMN CCc1cc(=O)n(-c2nc3ccncc3s2)[nH]1 ZINC000634630937 343041455 /nfs/dbraw/zinc/04/14/55/343041455.db2.gz HTPFCVXCQXKSIC-UHFFFAOYSA-N 0 1 246.295 2.194 20 0 BEADMN C[C@@H](n1[nH]c(C2(C)CC2)cc1=O)C(F)(F)F ZINC000634631611 343041915 /nfs/dbraw/zinc/04/19/15/343041915.db2.gz YTBGDJNHTKVOSE-ZCFIWIBFSA-N 0 1 234.221 2.326 20 0 BEADMN CCSCC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000309294115 259342806 /nfs/dbraw/zinc/34/28/06/259342806.db2.gz WTTHFBWQRLMTAK-UHFFFAOYSA-N 0 1 245.388 2.459 20 0 BEADMN C[C@@H]1CCc2[nH]n([C@H]3CCSC3)c(=O)c2C1 ZINC000634627799 343033994 /nfs/dbraw/zinc/03/39/94/343033994.db2.gz KVONGCQLOVVXSD-UTLUCORTSA-N 0 1 238.356 2.126 20 0 BEADMN Cc1cc(=O)n([C@H](C)COc2ccccc2)[nH]1 ZINC000634628790 343036073 /nfs/dbraw/zinc/03/60/73/343036073.db2.gz GKPWGLSZEQCGHW-LLVKDONJSA-N 0 1 232.283 2.062 20 0 BEADMN COCCc1cc(=O)n([C@@H](C)C(C)(C)C)[nH]1 ZINC000634630272 343038873 /nfs/dbraw/zinc/03/88/73/343038873.db2.gz QZKOAMZJWPNQTE-VIFPVBQESA-N 0 1 226.320 2.046 20 0 BEADMN C/C=C\CNCc1nn(C)c2ccccc12 ZINC000384735351 344025953 /nfs/dbraw/zinc/02/59/53/344025953.db2.gz BYPGNVOVIGAYCI-ARJAWSKDSA-N 0 1 215.300 2.239 20 0 BEADMN CC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C(C)C ZINC000247078479 343064632 /nfs/dbraw/zinc/06/46/32/343064632.db2.gz LEXCBRHVKDWNLZ-STQMWFEESA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000235901365 343066720 /nfs/dbraw/zinc/06/67/20/343066720.db2.gz JLVQEWAIAUZKIJ-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN Nc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043423592 343066952 /nfs/dbraw/zinc/06/69/52/343066952.db2.gz DJCCSNZPTDHEGK-UONOGXRCSA-N 0 1 232.327 2.022 20 0 BEADMN CCC(CC)NCc1ncc(C(=O)OC)s1 ZINC000584881413 343082531 /nfs/dbraw/zinc/08/25/31/343082531.db2.gz RNOZYDGBXMFJSI-UHFFFAOYSA-N 0 1 242.344 2.208 20 0 BEADMN C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000236442614 343097965 /nfs/dbraw/zinc/09/79/65/343097965.db2.gz OPUUWHRFMVUVHJ-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN C=CCCCCC[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000236447751 343098007 /nfs/dbraw/zinc/09/80/07/343098007.db2.gz DQJKTXQQYXZYBL-NSHDSACASA-N 0 1 211.305 2.139 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1C ZINC000049257342 343098971 /nfs/dbraw/zinc/09/89/71/343098971.db2.gz MDMZVINYSLCZCN-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CC(C)c1nocc1-c1nc(C2(N)CCC2)no1 ZINC000634556404 362046552 /nfs/dbraw/zinc/04/65/52/362046552.db2.gz REVVXERHIQHDMB-UHFFFAOYSA-N 0 1 248.286 2.186 20 0 BEADMN CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H](C)O ZINC000386736847 343107064 /nfs/dbraw/zinc/10/70/64/343107064.db2.gz CLFQOHXOBRIHKI-WPRPVWTQSA-N 0 1 243.734 2.295 20 0 BEADMN CCNCc1cn([C@H](C)c2ccc(F)cc2)nn1 ZINC000640849100 362063615 /nfs/dbraw/zinc/06/36/15/362063615.db2.gz ZGQDUHHHFOJYAH-SNVBAGLBSA-N 0 1 248.305 2.136 20 0 BEADMN N[C@@H](c1cn(CC2CCC2)nn1)c1ccccc1 ZINC000640946820 362095455 /nfs/dbraw/zinc/09/54/55/362095455.db2.gz CAYBSCFOGQXLIH-CQSZACIVSA-N 0 1 242.326 2.126 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cccc(F)c1 ZINC000092926444 343148240 /nfs/dbraw/zinc/14/82/40/343148240.db2.gz PEVDLYNVZVPQJB-BXKDBHETSA-N 0 1 237.274 2.121 20 0 BEADMN CC1(C)C[N@@H+](Cc2cccs2)CC[C@H]1O ZINC000258877965 343129153 /nfs/dbraw/zinc/12/91/53/343129153.db2.gz SIXWBMZHISYCNC-LLVKDONJSA-N 0 1 225.357 2.341 20 0 BEADMN C[N@@H+](CCCc1ccccc1)CCC(=O)[O-] ZINC000037932929 343144937 /nfs/dbraw/zinc/14/49/37/343144937.db2.gz FNOONRWEBFMUOF-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@@H]1C ZINC000130276080 343180883 /nfs/dbraw/zinc/18/08/83/343180883.db2.gz UIWRDRMLEBNSNS-ZJUUUORDSA-N 0 1 237.299 2.456 20 0 BEADMN c1ccc2nc(CN3CC(C4CC4)C3)cnc2c1 ZINC000628288445 346929659 /nfs/dbraw/zinc/92/96/59/346929659.db2.gz KXQFBSHIKXKJKO-UHFFFAOYSA-N 0 1 239.322 2.472 20 0 BEADMN CC[C@H](C)[C@H](O)CNCc1ncc(Cl)s1 ZINC000309209088 136274810 /nfs/dbraw/zinc/27/48/10/136274810.db2.gz SLPSGBDMSPNBLH-JGVFFNPUSA-N 0 1 248.779 2.293 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000164540559 343207790 /nfs/dbraw/zinc/20/77/90/343207790.db2.gz OLTXYGYFIDSFMK-VHSXEESVSA-N 0 1 234.299 2.010 20 0 BEADMN CSCC[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000167580792 343208923 /nfs/dbraw/zinc/20/89/23/343208923.db2.gz KPHVJLISUOGPNB-UHFFFAOYSA-N 0 1 239.340 2.180 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)CCCCC(=O)[O-] ZINC000167587014 343208961 /nfs/dbraw/zinc/20/89/61/343208961.db2.gz DJDPETOSBIYKIT-SNVBAGLBSA-N 0 1 233.377 2.315 20 0 BEADMN C[N@@H+](CCc1ccccc1C(=O)[O-])CC1CC1 ZINC000168573359 343210333 /nfs/dbraw/zinc/21/03/33/343210333.db2.gz DLLQFFIQRPAELV-UHFFFAOYSA-N 0 1 233.311 2.269 20 0 BEADMN CCO[C@@H](CN1CCC=C(F)C1)C1CC1 ZINC000625289891 343222717 /nfs/dbraw/zinc/22/27/17/343222717.db2.gz SZILMNNPHXVTDV-LBPRGKRZSA-N 0 1 213.296 2.361 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000132626689 343188797 /nfs/dbraw/zinc/18/87/97/343188797.db2.gz VREXOROBDFGJMZ-QWRGUYRKSA-N 0 1 243.347 2.129 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)C[C@@H]1CCCO1 ZINC000132573815 343188825 /nfs/dbraw/zinc/18/88/25/343188825.db2.gz GLYAJSSNQFKNNL-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)(O)C(C)(C)NCc1ncccc1Cl ZINC000625287367 343221660 /nfs/dbraw/zinc/22/16/60/343221660.db2.gz WIZLMBRJKHIDPE-UHFFFAOYSA-N 0 1 242.750 2.374 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000050885401 343221701 /nfs/dbraw/zinc/22/17/01/343221701.db2.gz RPVBPGIRHGDZEE-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN C[C@@H](N(C)C(=O)c1ccnc(CN)c1)C(C)(C)C ZINC000135368449 343193012 /nfs/dbraw/zinc/19/30/12/343193012.db2.gz PIZHBSIRBYNSKQ-SNVBAGLBSA-N 0 1 249.358 2.047 20 0 BEADMN CC[C@@H](O)CCCNc1cc(C)ccn1 ZINC000308899238 346930929 /nfs/dbraw/zinc/93/09/29/346930929.db2.gz AYWDFXKSLNNANR-LLVKDONJSA-N 0 1 208.305 2.353 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000069793499 343290899 /nfs/dbraw/zinc/29/08/99/343290899.db2.gz MYMIXHKIBFEUFP-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](N[C@H](C)c1ccncc1)C(=O)NC(C)(C)C ZINC000035124219 343285731 /nfs/dbraw/zinc/28/57/31/343285731.db2.gz BZGIJJGUJADTGV-GHMZBOCLSA-N 0 1 249.358 2.035 20 0 BEADMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])oc1C ZINC000051361381 343256008 /nfs/dbraw/zinc/25/60/08/343256008.db2.gz TZZTZGFTTDTMDN-UHFFFAOYSA-N 0 1 211.261 2.128 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](CC)CC1 ZINC000070609734 343334081 /nfs/dbraw/zinc/33/40/81/343334081.db2.gz BGRGSVNMVPVRPK-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H]1CCCN([C@@H](C)C(=O)OC)CC1 ZINC000070613668 343334232 /nfs/dbraw/zinc/33/42/32/343334232.db2.gz SLOZFFACWIBHRG-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCc1ccc(CN2CCC(O)(CC)CC2)cn1 ZINC000347860682 136293522 /nfs/dbraw/zinc/29/35/22/136293522.db2.gz JQNYLJIDONMMRU-UHFFFAOYSA-N 0 1 248.370 2.381 20 0 BEADMN CN(Cc1cccc2c1OCO2)[C@H]1CCCOC1 ZINC000348715128 136294288 /nfs/dbraw/zinc/29/42/88/136294288.db2.gz ONHKKOFMGMDCOV-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN Cc1noc(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000335612169 136295386 /nfs/dbraw/zinc/29/53/86/136295386.db2.gz QDFLJRYUYCFZDZ-PHIMTYICSA-N 0 1 221.304 2.000 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@@H](C)C2)c1 ZINC000634691194 343379029 /nfs/dbraw/zinc/37/90/29/343379029.db2.gz BTTLSJLFBMGAGO-ZWNOBZJWSA-N 0 1 249.310 2.163 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC[C@H](C)C2)c1 ZINC000634691192 343379078 /nfs/dbraw/zinc/37/90/78/343379078.db2.gz BTTLSJLFBMGAGO-GXFFZTMASA-N 0 1 249.310 2.163 20 0 BEADMN CCOc1ccc(CNCc2c[nH]nc2C)cc1 ZINC000037989193 343364327 /nfs/dbraw/zinc/36/43/27/343364327.db2.gz QRCWSJUUZUIWBG-UHFFFAOYSA-N 0 1 245.326 2.407 20 0 BEADMN Cc1nc([C@H](C)[S@@](=O)c2ccccc2C)n[nH]1 ZINC000335631248 136300010 /nfs/dbraw/zinc/30/00/10/136300010.db2.gz NJFLVJAHGHWHCM-HUTHGQBESA-N 0 1 249.339 2.290 20 0 BEADMN Cc1nc([C@@H](C)N2Cc3cccc(F)c3C2)n[nH]1 ZINC000335631720 136300019 /nfs/dbraw/zinc/30/00/19/136300019.db2.gz BSKWBXKQRVFUME-MRVPVSSYSA-N 0 1 246.289 2.329 20 0 BEADMN O=C(NCCCC1CCC1)c1[nH]nc2c1CCC2 ZINC000618616558 343372419 /nfs/dbraw/zinc/37/24/19/343372419.db2.gz SLHJUVLFNUZOON-UHFFFAOYSA-N 0 1 247.342 2.209 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070634192 343336822 /nfs/dbraw/zinc/33/68/22/343336822.db2.gz IXDCJTAXNSIYJK-CBAPKCEASA-N 0 1 214.334 2.137 20 0 BEADMN CO[C@H](C)CN(C)Cc1cn(C(C)C)nc1C ZINC000348836183 136302384 /nfs/dbraw/zinc/30/23/84/136302384.db2.gz CIPGEUISMRFXQZ-LLVKDONJSA-N 0 1 239.363 2.239 20 0 BEADMN C[C@@H](NCc1cccs1)C(=O)NC(C)(C)C ZINC000037467111 343346391 /nfs/dbraw/zinc/34/63/91/343346391.db2.gz RMZBERVGFLHEEX-SECBINFHSA-N 0 1 240.372 2.141 20 0 BEADMN O=C(N[C@H]1CCC[C@H]1F)c1n[nH]c2ccccc21 ZINC000335673279 136317487 /nfs/dbraw/zinc/31/74/87/136317487.db2.gz DDNBUAOJZIOPFB-KOLCDFICSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1ncc(CN2CC(C)(C)[C@H]2C2CC2)cn1 ZINC000335675174 136318119 /nfs/dbraw/zinc/31/81/19/136318119.db2.gz FNUBYOCKOUBXEL-CYBMUJFWSA-N 0 1 231.343 2.405 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCCCO1)CC2 ZINC000335676557 136318798 /nfs/dbraw/zinc/31/87/98/136318798.db2.gz PXPVNMQZWVUDFQ-HNNXBMFYSA-N 0 1 247.338 2.319 20 0 BEADMN CC(C)=CCCNC(=O)CCc1cc(C)[nH]n1 ZINC001638526613 1172026595 /nfs/dbraw/zinc/02/65/95/1172026595.db2.gz DXSZVWSNEVFTFB-UHFFFAOYSA-N 0 1 235.331 2.123 20 0 BEADMN C[C@@H]1OCC[C@H]1NCc1c(F)cc(F)cc1F ZINC000335666141 136310712 /nfs/dbraw/zinc/31/07/12/136310712.db2.gz YYHYMGPYJADOJJ-JVXZTZIISA-N 0 1 245.244 2.371 20 0 BEADMN CCNCc1cn([C@H]2C=CCCCCC2)nn1 ZINC000641075662 362182984 /nfs/dbraw/zinc/18/29/84/362182984.db2.gz LHWLQZANUZWVCY-ZDUSSCGKSA-N 0 1 234.347 2.449 20 0 BEADMN Cc1ncc(CN2CC[C@@H]2C(C)C)cn1 ZINC000335669648 136312372 /nfs/dbraw/zinc/31/23/72/136312372.db2.gz SEEJGEMVFVMOFF-GFCCVEGCSA-N 0 1 205.305 2.015 20 0 BEADMN C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCN1 ZINC000335664354 136316016 /nfs/dbraw/zinc/31/60/16/136316016.db2.gz TUTQRBXSFGVJRS-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2cccc(C)c2)nn1 ZINC000641075781 362185126 /nfs/dbraw/zinc/18/51/26/362185126.db2.gz XKZJXAQKWZJNCX-NWDGAFQWSA-N 0 1 244.342 2.476 20 0 BEADMN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ncccn1 ZINC000569941425 323045361 /nfs/dbraw/zinc/04/53/61/323045361.db2.gz MDZDYYYEUYXQCJ-MNOVXSKESA-N 0 1 219.332 2.391 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H]2C)c1 ZINC000634692287 343393019 /nfs/dbraw/zinc/39/30/19/343393019.db2.gz XPSKYLFRSQYZAU-MFKMUULPSA-N 0 1 249.310 2.305 20 0 BEADMN CCC[C@@H](C)CCCN1C[C@@H]2COC[C@H](C1)O2 ZINC000625399193 343407644 /nfs/dbraw/zinc/40/76/44/343407644.db2.gz ILXURBKNXCFASX-MCIONIFRSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(F)cc2F)C1 ZINC000335695642 136326985 /nfs/dbraw/zinc/32/69/85/136326985.db2.gz BMGLXIBXFJJFNV-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@@H]1CC[S@@](=O)CC[N@H+]1CC1CCCCC1 ZINC000335697656 136327598 /nfs/dbraw/zinc/32/75/98/136327598.db2.gz XEQNSITWBDOVHG-MLGOLLRUSA-N 0 1 243.416 2.410 20 0 BEADMN Clc1cnn(CCN2CCCCC2)c1 ZINC000041367890 343419795 /nfs/dbraw/zinc/41/97/95/343419795.db2.gz DNAAUBTVQYEZMX-UHFFFAOYSA-N 0 1 213.712 2.022 20 0 BEADMN C[C@@H]1c2ccccc2CN1CCn1ccnc1 ZINC000335679770 136320074 /nfs/dbraw/zinc/32/00/74/136320074.db2.gz VBPJHCSKYOUTJG-GFCCVEGCSA-N 0 1 227.311 2.460 20 0 BEADMN COc1c(O)cccc1CN[C@H]1C[C@@H]1C(F)F ZINC000349034316 136320291 /nfs/dbraw/zinc/32/02/91/136320291.db2.gz OBLZDNWGLJSMCY-IUCAKERBSA-N 0 1 243.253 2.144 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)[C@H](C)CC(C)C ZINC000570000789 323047089 /nfs/dbraw/zinc/04/70/89/323047089.db2.gz YEBZNCWFLJUJBO-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000335734535 136349760 /nfs/dbraw/zinc/34/97/60/136349760.db2.gz RLFAFRFSVIXZAA-ZJUUUORDSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1ncc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)[nH]1 ZINC000335734533 136349778 /nfs/dbraw/zinc/34/97/78/136349778.db2.gz RLFAFRFSVIXZAA-UWVGGRQHSA-N 0 1 235.331 2.369 20 0 BEADMN CN[C@H](C)c1cn(C[C@H]2CCCC[C@H]2C)nn1 ZINC000641087303 362209348 /nfs/dbraw/zinc/20/93/48/362209348.db2.gz CPLXJIZLMGZYHM-IJLUTSLNSA-N 0 1 236.363 2.385 20 0 BEADMN CN[C@H](C)c1cn(CCCC2CCC2)nn1 ZINC000641089258 362213128 /nfs/dbraw/zinc/21/31/28/362213128.db2.gz SHAWXPWTHPLEMI-SNVBAGLBSA-N 0 1 222.336 2.139 20 0 BEADMN Cc1ccc(CNCCC(=O)OC(C)(C)C)o1 ZINC000174435069 259360799 /nfs/dbraw/zinc/36/07/99/259360799.db2.gz FPEYBPSVJMVXMH-UHFFFAOYSA-N 0 1 239.315 2.409 20 0 BEADMN Oc1cccc2c1C[C@H](NCc1cscn1)C2 ZINC000335716780 136339448 /nfs/dbraw/zinc/33/94/48/136339448.db2.gz XJPWVWPYDFNYHS-SNVBAGLBSA-N 0 1 246.335 2.106 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCCOC2)nc1 ZINC000335850139 136355601 /nfs/dbraw/zinc/35/56/01/136355601.db2.gz LWFQAGLYTFWMRU-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H]1CN(C)CCN1c1nc2c(cccc2F)o1 ZINC000335897651 136359574 /nfs/dbraw/zinc/35/95/74/136359574.db2.gz WVYHLRZNWKMAHT-SECBINFHSA-N 0 1 249.289 2.107 20 0 BEADMN Cc1cc(CN[C@H]2CC[C@H]2C2CC2)no1 ZINC000379932910 365744242 /nfs/dbraw/zinc/74/42/42/365744242.db2.gz PPDLVZIHEHUSKZ-RYUDHWBXSA-N 0 1 206.289 2.261 20 0 BEADMN Cc1cc(CN([C@H](C)CO)C2CCCC2)no1 ZINC000351501038 136368888 /nfs/dbraw/zinc/36/88/88/136368888.db2.gz HZGTWUHKWWTAMG-SNVBAGLBSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1ncccc1CN[C@H](CO)c1ccsc1 ZINC000351605934 136369818 /nfs/dbraw/zinc/36/98/18/136369818.db2.gz SDVDRZDHSCNDHW-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN CC[C@@H](C)[C@@H](C)Nc1ncnc2[nH]cnc21 ZINC000042557219 343443912 /nfs/dbraw/zinc/44/39/12/343443912.db2.gz OOAJLKWCDDBTIF-HTQZYQBOSA-N 0 1 219.292 2.199 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(C)c(O)c1C ZINC000080044239 136375131 /nfs/dbraw/zinc/37/51/31/136375131.db2.gz HAVNYRHJIZWAJF-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CNCc1cn(CC[C@H]2CCC[C@@H](C)C2)nn1 ZINC000641142252 362237849 /nfs/dbraw/zinc/23/78/49/362237849.db2.gz SXJJPGVWZUGNJW-VXGBXAGGSA-N 0 1 236.363 2.214 20 0 BEADMN CNCc1cn(CC[C@H]2CCC[C@H](C)C2)nn1 ZINC000641142250 362237891 /nfs/dbraw/zinc/23/78/91/362237891.db2.gz SXJJPGVWZUGNJW-NWDGAFQWSA-N 0 1 236.363 2.214 20 0 BEADMN CNCc1cn(C[C@@H]2CCCCC2(C)C)nn1 ZINC000641160075 362245219 /nfs/dbraw/zinc/24/52/19/362245219.db2.gz JOVVVXPXHKTYKX-NSHDSACASA-N 0 1 236.363 2.214 20 0 BEADMN C[C@H](C[N@@H+](C)CCCCC(F)(F)F)C(=O)[O-] ZINC000576998637 365749279 /nfs/dbraw/zinc/74/92/79/365749279.db2.gz LNXQERFKUQYVQV-MRVPVSSYSA-N 0 1 241.253 2.372 20 0 BEADMN CC[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1nccn1C ZINC000624222952 343510806 /nfs/dbraw/zinc/51/08/06/343510806.db2.gz KNDIABFESQOTSF-AVGNSLFASA-N 0 1 249.358 2.028 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000044693170 343512293 /nfs/dbraw/zinc/51/22/93/343512293.db2.gz RULIGFVTFZDUCV-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN CCN(C)C(=O)CN[C@@H](C)c1cc(C)oc1C ZINC000044730363 343513126 /nfs/dbraw/zinc/51/31/26/343513126.db2.gz PWUKKSBBXFNPEK-JTQLQIEISA-N 0 1 238.331 2.025 20 0 BEADMN CCN(CC(=O)N(C(C)C)C(C)C)C1CC1 ZINC000045770805 343534095 /nfs/dbraw/zinc/53/40/95/343534095.db2.gz IJBRYSGIIRDTJR-UHFFFAOYSA-N 0 1 226.364 2.116 20 0 BEADMN CCc1nnc(NC(=O)[C@@H](C)CC(C)(C)C)[nH]1 ZINC000357376313 343543030 /nfs/dbraw/zinc/54/30/30/343543030.db2.gz LXDWJPNHVGBWHW-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H](C)CC(C)(C)C)n1 ZINC000357376313 343543034 /nfs/dbraw/zinc/54/30/34/343543034.db2.gz LXDWJPNHVGBWHW-QMMMGPOBSA-N 0 1 238.335 2.378 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000577006560 365755253 /nfs/dbraw/zinc/75/52/53/365755253.db2.gz YTVQWCPZWSHNHL-OKWIKPQFSA-N 0 1 249.354 2.384 20 0 BEADMN C[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1C(=O)[O-] ZINC000398732747 488223726 /nfs/dbraw/zinc/22/37/26/488223726.db2.gz NAHMHJFFWNSRKG-JQWIXIFHSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1nc(C)c(CN[C@@H](C)COC(C)C)o1 ZINC000494304522 529725200 /nfs/dbraw/zinc/72/52/00/529725200.db2.gz UWOBTXVGFGMYKG-JTQLQIEISA-N 0 1 240.347 2.449 20 0 BEADMN CCc1nc(C)c(CN[C@H](C)COC(C)C)o1 ZINC000494304523 529725528 /nfs/dbraw/zinc/72/55/28/529725528.db2.gz UWOBTXVGFGMYKG-SNVBAGLBSA-N 0 1 240.347 2.449 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)CN(C)C1CCC1 ZINC000641162753 362247595 /nfs/dbraw/zinc/24/75/95/362247595.db2.gz SOXOCIOEGZAABF-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1nc(S[C@@H](C)c2cnc(C)cn2)n[nH]1 ZINC000488237753 529744378 /nfs/dbraw/zinc/74/43/78/529744378.db2.gz SNWGZPKMPRDDOB-QMMMGPOBSA-N 0 1 249.343 2.319 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)c2cnc(C)cn2)n1 ZINC000488237753 529744379 /nfs/dbraw/zinc/74/43/79/529744379.db2.gz SNWGZPKMPRDDOB-QMMMGPOBSA-N 0 1 249.343 2.319 20 0 BEADMN CCc1nnc(SC[C@@H]2CCC[C@H](O)C2)[nH]1 ZINC000488229375 529744412 /nfs/dbraw/zinc/74/44/12/529744412.db2.gz GQQSFDPWJUOHOZ-BDAKNGLRSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCC[C@H](O)C2)n1 ZINC000488229375 529744413 /nfs/dbraw/zinc/74/44/13/529744413.db2.gz GQQSFDPWJUOHOZ-BDAKNGLRSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1nc(CN[C@H](C)[C@H]2CCCO2)cs1 ZINC000049591271 343604000 /nfs/dbraw/zinc/60/40/00/343604000.db2.gz SFCTUSAVBWWDIP-MWLCHTKSSA-N 0 1 240.372 2.363 20 0 BEADMN C[N@@H+](CCO)Cc1ccccc1C(F)(F)F ZINC000049633805 343604643 /nfs/dbraw/zinc/60/46/43/343604643.db2.gz LHQNRZGETLQURE-UHFFFAOYSA-N 0 1 233.233 2.130 20 0 BEADMN Cc1cc(F)ccc1C(=O)N(C)Cc1cnc[nH]1 ZINC000622745667 343605367 /nfs/dbraw/zinc/60/53/67/343605367.db2.gz SDNFQDFMQYTCKX-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](O)C1 ZINC000052440626 343634803 /nfs/dbraw/zinc/63/48/03/343634803.db2.gz VLRPQHWUUODRIN-ONGXEEELSA-N 0 1 241.281 2.483 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)c1cccc2nc[nH]c21 ZINC000620077025 343637212 /nfs/dbraw/zinc/63/72/12/343637212.db2.gz BISZTZBGGBFSGJ-AWEZNQCLSA-N 0 1 243.310 2.481 20 0 BEADMN CC[C@@H](CCO)CNc1cccc(C)n1 ZINC000087371035 343646068 /nfs/dbraw/zinc/64/60/68/343646068.db2.gz XLGCSGWMWGQTMN-NSHDSACASA-N 0 1 208.305 2.211 20 0 BEADMN Cc1csc(CNC[C@@]2(C)CCCO2)n1 ZINC000087376462 343646606 /nfs/dbraw/zinc/64/66/06/343646606.db2.gz UBCDLTPESXTXOS-LLVKDONJSA-N 0 1 226.345 2.110 20 0 BEADMN COC1([C@H](C)NCc2nc(C)c(C)[nH]2)CCC1 ZINC000580580137 365790407 /nfs/dbraw/zinc/79/04/07/365790407.db2.gz AYJMQTMPRFVVMZ-NSHDSACASA-N 0 1 237.347 2.074 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000634696166 343629134 /nfs/dbraw/zinc/62/91/34/343629134.db2.gz MEUFWVAQHAYYPN-KMXFUREMSA-N 0 1 235.327 2.114 20 0 BEADMN Cc1nccc(N[C@@H]2C[C@H](C)O[C@H]2C)c1Cl ZINC000384561659 343629212 /nfs/dbraw/zinc/62/92/12/343629212.db2.gz HVTAXJOMQXIODI-OVYXKVPISA-N 0 1 240.734 2.443 20 0 BEADMN CC1(C)C[C@]1(C)NC(=O)c1n[nH]c2ccccc21 ZINC000620085331 343648444 /nfs/dbraw/zinc/64/84/44/343648444.db2.gz OFIHSHSDEFXCJJ-AWEZNQCLSA-N 0 1 243.310 2.481 20 0 BEADMN CO[C@H]1C[C@H](N[C@@H](C)c2nc(C)cs2)C1 ZINC000624300872 343678645 /nfs/dbraw/zinc/67/86/45/343678645.db2.gz UCCZCYLOARILBV-GUBZILKMSA-N 0 1 226.345 2.280 20 0 BEADMN Cc1ccccc1NC(=O)CN(C)C(C)C ZINC000058337956 343699193 /nfs/dbraw/zinc/69/91/93/343699193.db2.gz FZNYRFUGALQDGW-UHFFFAOYSA-N 0 1 220.316 2.274 20 0 BEADMN CCc1cnc(CNC[C@@H](OC)C2CC2)s1 ZINC000339530698 343701120 /nfs/dbraw/zinc/70/11/20/343701120.db2.gz SAZOUAOOOAYLPU-LLVKDONJSA-N 0 1 240.372 2.220 20 0 BEADMN CC[N@@H+](Cc1cncc(OC)n1)CC(C)(C)C ZINC000625442903 343741766 /nfs/dbraw/zinc/74/17/66/343741766.db2.gz PHXXBGKSTLDDFK-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccoc1 ZINC000624342530 343723341 /nfs/dbraw/zinc/72/33/41/343723341.db2.gz GHCFVKGUXQTARX-GWCFXTLKSA-N 0 1 248.326 2.084 20 0 BEADMN C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccoc1 ZINC000624342531 343723487 /nfs/dbraw/zinc/72/34/87/343723487.db2.gz GHCFVKGUXQTARX-GXFFZTMASA-N 0 1 248.326 2.084 20 0 BEADMN CCN(Cc1cnc(C2CC2)o1)C[C@@H](C)OC ZINC000628290509 346960742 /nfs/dbraw/zinc/96/07/42/346960742.db2.gz HCXQOHUGNFRNSX-SNVBAGLBSA-N 0 1 238.331 2.409 20 0 BEADMN Fc1c(Cl)cccc1CN[C@@H]1CCOC1 ZINC000088737325 343730542 /nfs/dbraw/zinc/73/05/42/343730542.db2.gz BGGVHDJFAAWFQT-SECBINFHSA-N 0 1 229.682 2.358 20 0 BEADMN C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000584172442 343768711 /nfs/dbraw/zinc/76/87/11/343768711.db2.gz PQCVDHWUKVWNOM-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000584172440 343768835 /nfs/dbraw/zinc/76/88/35/343768835.db2.gz PQCVDHWUKVWNOM-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN COC(=O)CN1CC[C@@]1(C)C1CCCCC1 ZINC000603029127 349858896 /nfs/dbraw/zinc/85/88/96/349858896.db2.gz JVSAJRVEPZRCRL-ZDUSSCGKSA-N 0 1 225.332 2.204 20 0 BEADMN C[C@@H](NC(=O)CN1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000625448763 343774595 /nfs/dbraw/zinc/77/45/95/343774595.db2.gz POJJNZQYZFNUDH-JHJVBQTASA-N 0 1 246.354 2.204 20 0 BEADMN Cc1nccnc1CN1CC[C@@H](OCC(C)C)C1 ZINC000621719306 343775528 /nfs/dbraw/zinc/77/55/28/343775528.db2.gz JASXELGOURKSQK-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000393170501 343755026 /nfs/dbraw/zinc/75/50/26/343755026.db2.gz FIHXMMDZKLLDHM-QMMMGPOBSA-N 0 1 242.344 2.462 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1cc(O)ccc1Cl ZINC000625445693 343766091 /nfs/dbraw/zinc/76/60/91/343766091.db2.gz PFLQWUWGBBPQRH-PRHODGIISA-N 0 1 241.718 2.313 20 0 BEADMN CN(CC1CC1)CN1CC2(CCCC2)OC1=O ZINC000494743466 529860916 /nfs/dbraw/zinc/86/09/16/529860916.db2.gz ZJZNHCDDCFLEOA-UHFFFAOYSA-N 0 1 238.331 2.051 20 0 BEADMN CC1(C)COC[C@H]1NCc1c(F)cccc1F ZINC000313061196 343780601 /nfs/dbraw/zinc/78/06/01/343780601.db2.gz HYSBMIPJQBJAFU-GFCCVEGCSA-N 0 1 241.281 2.479 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000062936207 178584566 /nfs/dbraw/zinc/58/45/66/178584566.db2.gz CVXCKIYXSRZMIS-AWEZNQCLSA-N 0 1 233.311 2.292 20 0 BEADMN Cc1ccc(NS(=O)(=O)c2ccccc2)cn1 ZINC000096791288 343896029 /nfs/dbraw/zinc/89/60/29/343896029.db2.gz FZVSMNYGBHQRFB-UHFFFAOYSA-N 0 1 248.307 2.191 20 0 BEADMN C/C(Cl)=C/CN1CC[C@@H](c2nc(C)no2)C1 ZINC000528505711 262954102 /nfs/dbraw/zinc/95/41/02/262954102.db2.gz YRJGBMYNQPEKOI-WPKZPIIRSA-N 0 1 241.722 2.310 20 0 BEADMN CN(CN1CC(C)(C)OC1=O)C1CCCC1 ZINC000494057808 529940659 /nfs/dbraw/zinc/94/06/59/529940659.db2.gz FUUGZPNOCZBCDJ-UHFFFAOYSA-N 0 1 226.320 2.049 20 0 BEADMN Cc1nc(CN[C@@H]2CCO[C@@H]2C)c(C)s1 ZINC000090889311 343944030 /nfs/dbraw/zinc/94/40/30/343944030.db2.gz LDVFULMCCYQCQS-GMSGAONNSA-N 0 1 226.345 2.027 20 0 BEADMN Cc1cc(CNC(=O)CCCC(F)(F)F)n[nH]1 ZINC000678364842 488246979 /nfs/dbraw/zinc/24/69/79/488246979.db2.gz JLTIVQRUOZEBSM-UHFFFAOYSA-N 0 1 249.236 2.067 20 0 BEADMN CCCCN(CC)Cc1cc(C(=O)OC)no1 ZINC000024547975 347016434 /nfs/dbraw/zinc/01/64/34/347016434.db2.gz BGDUZUPSUVSOCG-UHFFFAOYSA-N 0 1 240.303 2.083 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000628119016 343970093 /nfs/dbraw/zinc/97/00/93/343970093.db2.gz WMHLBSAQXBHEQS-AOOOYVTPSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000628119017 343970153 /nfs/dbraw/zinc/97/01/53/343970153.db2.gz WMHLBSAQXBHEQS-NXEZZACHSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1ccc([C@@H](C)CN(C)CC(=O)N(C)C)cc1 ZINC000628120190 343972479 /nfs/dbraw/zinc/97/24/79/343972479.db2.gz BTNQZMZUWJIYOU-ZDUSSCGKSA-N 0 1 248.370 2.119 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000619361227 343948618 /nfs/dbraw/zinc/94/86/18/343948618.db2.gz SJJXKURVHNLDPV-GHMZBOCLSA-N 0 1 247.342 2.324 20 0 BEADMN COC(C)(C)CN[C@@H](C)c1nccs1 ZINC000091736901 343951282 /nfs/dbraw/zinc/95/12/82/343951282.db2.gz AGRANOTYESKTMG-QMMMGPOBSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)NC(=O)CN(C)[C@H](C)c1ccccc1 ZINC000048433991 343952018 /nfs/dbraw/zinc/95/20/18/343952018.db2.gz GKKUDPDCGNKYPB-GFCCVEGCSA-N 0 1 234.343 2.204 20 0 BEADMN CCN(C)[C@@H](C(=O)N1CC[C@H]1C)c1ccccc1 ZINC000641245175 362309578 /nfs/dbraw/zinc/30/95/78/362309578.db2.gz WZAHYIMVTZXTAW-TZMCWYRMSA-N 0 1 246.354 2.300 20 0 BEADMN CCN(C)[C@@H](C(=O)N1CC[C@@H]1C)c1ccccc1 ZINC000641245172 362309971 /nfs/dbraw/zinc/30/99/71/362309971.db2.gz WZAHYIMVTZXTAW-GXTWGEPZSA-N 0 1 246.354 2.300 20 0 BEADMN Cn1cnnc1CN1CC(C)(C)CCC1(C)C ZINC000625722991 344056968 /nfs/dbraw/zinc/05/69/68/344056968.db2.gz IPJWGECTIMMYQD-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN COCCCCN1Cc2ccc(O)cc2C1 ZINC000625727512 344058778 /nfs/dbraw/zinc/05/87/78/344058778.db2.gz YFNKCMXDZFBYGE-UHFFFAOYSA-N 0 1 221.300 2.134 20 0 BEADMN CCC[C@H](CNCc1oc(CC)nc1C)OC ZINC000395177112 362329006 /nfs/dbraw/zinc/32/90/06/362329006.db2.gz TXIWDJDPVYIRSI-LLVKDONJSA-N 0 1 240.347 2.450 20 0 BEADMN Cc1nc(CN(C)CC2(C)COC2)sc1C ZINC000625789189 344077391 /nfs/dbraw/zinc/07/73/91/344077391.db2.gz ADIIHGXKHFHPOJ-UHFFFAOYSA-N 0 1 240.372 2.228 20 0 BEADMN CN(Cc1cc(F)ccc1F)CC1(C)COC1 ZINC000625795549 344078307 /nfs/dbraw/zinc/07/83/07/344078307.db2.gz ZOKIMRCNELBCNG-UHFFFAOYSA-N 0 1 241.281 2.433 20 0 BEADMN CC1(C)CCC[C@](CO)(NCc2ccon2)C1 ZINC000625836084 344089516 /nfs/dbraw/zinc/08/95/16/344089516.db2.gz STBDKNOTJSDIHF-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN C[C@H]1CCCCN1C(=O)CN(C1CC1)C1CC1 ZINC000625838131 344090487 /nfs/dbraw/zinc/09/04/87/344090487.db2.gz XDPNRKYOIXFRDI-NSHDSACASA-N 0 1 236.359 2.014 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299896559 344120254 /nfs/dbraw/zinc/12/02/54/344120254.db2.gz NZTULVMCKOZMFE-SRVKXCTJSA-N 0 1 225.332 2.362 20 0 BEADMN CCc1noc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000309968819 344153695 /nfs/dbraw/zinc/15/36/95/344153695.db2.gz OOWBQJJRIUGLBQ-UWVGGRQHSA-N 0 1 223.320 2.300 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)c1cc(C)[nH]n1 ZINC000082318279 344154033 /nfs/dbraw/zinc/15/40/33/344154033.db2.gz FCRUBJCSBHCJDB-SNVBAGLBSA-N 0 1 221.304 2.123 20 0 BEADMN Fc1cccc(F)c1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634747438 344180441 /nfs/dbraw/zinc/18/04/41/344180441.db2.gz KXLXPEAKSQZSAT-AOOOYVTPSA-N 0 1 239.265 2.043 20 0 BEADMN CCN(Cc1nc(C)c[nH]1)C1CCCC1 ZINC000628135016 344193945 /nfs/dbraw/zinc/19/39/45/344193945.db2.gz KNUCABJVOITOLO-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN OCC[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000336690433 192069438 /nfs/dbraw/zinc/06/94/38/192069438.db2.gz GYBHQLZJHPUPLV-GFCCVEGCSA-N 0 1 241.281 2.312 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cnn(C(C)C)c1 ZINC000570769740 323069755 /nfs/dbraw/zinc/06/97/55/323069755.db2.gz CYZWJJSQKJIAJX-WCFLWFBJSA-N 0 1 237.347 2.292 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cnn(C(C)C)c1 ZINC000570769738 323069822 /nfs/dbraw/zinc/06/98/22/323069822.db2.gz CYZWJJSQKJIAJX-KGYLQXTDSA-N 0 1 237.347 2.292 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCc1cccn1C ZINC000084224988 344329774 /nfs/dbraw/zinc/32/97/74/344329774.db2.gz AOZDTEBORMGLCG-SECBINFHSA-N 0 1 233.315 2.481 20 0 BEADMN CCN(Cc1cnn(C)c1)[C@H](C)c1ccncc1 ZINC000600635862 344347689 /nfs/dbraw/zinc/34/76/89/344347689.db2.gz RTCYAWOXRBZMEW-GFCCVEGCSA-N 0 1 244.342 2.398 20 0 BEADMN Cc1cc(CC(=O)NC2(C)CCC(C)CC2)[nH]n1 ZINC000131857590 344354781 /nfs/dbraw/zinc/35/47/81/344354781.db2.gz HOPHCYDTGAXRHT-UHFFFAOYSA-N 0 1 249.358 2.346 20 0 BEADMN CCc1cnc(CNC[C@@](C)(O)C(C)C)s1 ZINC000309645033 344423937 /nfs/dbraw/zinc/42/39/37/344423937.db2.gz LXWGJFLQBMVLQJ-GFCCVEGCSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC000600944531 344400007 /nfs/dbraw/zinc/40/00/07/344400007.db2.gz SSHYLQCGYBMCDU-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCCC(C)(C)C ZINC000600949989 344401312 /nfs/dbraw/zinc/40/13/12/344401312.db2.gz CLLDQVJKEHRZGI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CC(=O)NC(C)C)Cc1ccccc1 ZINC000048616109 344402585 /nfs/dbraw/zinc/40/25/85/344402585.db2.gz ZSDJLGKVHBGZNM-UHFFFAOYSA-N 0 1 234.343 2.033 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1nccs1 ZINC000041012835 344411998 /nfs/dbraw/zinc/41/19/98/344411998.db2.gz IGUHGNPXQQYSAS-VHSXEESVSA-N 0 1 226.345 2.190 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC1CCCC1 ZINC000042011571 344441796 /nfs/dbraw/zinc/44/17/96/344441796.db2.gz SPGBMRKHCCDXME-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[N@@H+](CC1CC1)C1(C(=O)[O-])CCCCC1 ZINC000041883971 344442266 /nfs/dbraw/zinc/44/22/66/344442266.db2.gz DRMLDKMOLIPXQE-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1[nH]n(-c2cc(C)cc(C)c2)c(=O)c1CCO ZINC000258992320 344523880 /nfs/dbraw/zinc/52/38/80/344523880.db2.gz GCKNJUOKZABFFH-ZDUSSCGKSA-N 0 1 246.310 2.025 20 0 BEADMN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1CCO ZINC000259043117 344533408 /nfs/dbraw/zinc/53/34/08/344533408.db2.gz LPFYSKIVNOXHLL-GFCCVEGCSA-N 0 1 246.310 2.025 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@@H]2C2CC2)s1 ZINC000336776958 537847940 /nfs/dbraw/zinc/84/79/40/537847940.db2.gz GZUQVTLBNHHLHQ-NXEZZACHSA-N 0 1 237.372 2.379 20 0 BEADMN Cc1nc([C@@H](C)Sc2ccc(C)nn2)n[nH]1 ZINC000641458610 362434604 /nfs/dbraw/zinc/43/46/04/362434604.db2.gz FAYTVKFFCPNDCD-SSDOTTSWSA-N 0 1 235.316 2.065 20 0 BEADMN C[N@H+](C/C=C\c1ccccc1)CCCO ZINC000215717189 349913110 /nfs/dbraw/zinc/91/31/10/349913110.db2.gz IPTZVAIOEBPLAY-UITAMQMPSA-N 0 1 205.301 2.014 20 0 BEADMN CCCN1CCCC[C@H]1C(=O)N[C@@H](C)C(F)F ZINC001638788660 1172045395 /nfs/dbraw/zinc/04/53/95/1172045395.db2.gz CHCJRKTYRAAORR-UWVGGRQHSA-N 0 1 248.317 2.021 20 0 BEADMN CC[C@@H](CN1Cc2cccc(OC)c2C1)OC ZINC000626023433 344678338 /nfs/dbraw/zinc/67/83/38/344678338.db2.gz HFTDXSMJAKDJPM-LBPRGKRZSA-N 0 1 235.327 2.436 20 0 BEADMN CCc1cnc(CN[C@@H]2CCCC[C@@H]2O)s1 ZINC000348151703 344640881 /nfs/dbraw/zinc/64/08/81/344640881.db2.gz OBNBBNDPEGWUNE-MNOVXSKESA-N 0 1 240.372 2.099 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1CCCC1(F)F ZINC000394310364 344752380 /nfs/dbraw/zinc/75/23/80/344752380.db2.gz XWFLRHKRSWEJEQ-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000082321808 344750061 /nfs/dbraw/zinc/75/00/61/344750061.db2.gz PCBHVAKHMGLOJR-AWEZNQCLSA-N 0 1 244.338 2.060 20 0 BEADMN CCCC[C@@H](CC)CN(C)CC(=O)OC ZINC000050047743 344717159 /nfs/dbraw/zinc/71/71/59/344717159.db2.gz ZJDIVIUYJYMBJG-LLVKDONJSA-N 0 1 215.337 2.308 20 0 BEADMN CC(C)C[C@H]1CCN(c2ncnc3[nH]cnc32)C1 ZINC000075061173 344764075 /nfs/dbraw/zinc/76/40/75/344764075.db2.gz KDPMAIFZYKKVAA-SNVBAGLBSA-N 0 1 245.330 2.225 20 0 BEADMN CC(C)C[C@@H]1CCN(c2ncnc3[nH]cnc32)C1 ZINC000075061172 344764231 /nfs/dbraw/zinc/76/42/31/344764231.db2.gz KDPMAIFZYKKVAA-JTQLQIEISA-N 0 1 245.330 2.225 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000153115646 344753317 /nfs/dbraw/zinc/75/33/17/344753317.db2.gz LHPXSRFTYLZXDR-IEBDPFPHSA-N 0 1 221.304 2.171 20 0 BEADMN CCc1nc(CSc2ccc(O)cc2)n[nH]1 ZINC000181755069 347071595 /nfs/dbraw/zinc/07/15/95/347071595.db2.gz OXRRUHIAXLVOAN-UHFFFAOYSA-N 0 1 235.312 2.365 20 0 BEADMN Cc1cccc(SCCc2c[nH]nn2)c1 ZINC000583360019 344790659 /nfs/dbraw/zinc/79/06/59/344790659.db2.gz BPJPHAZYEDUJIS-UHFFFAOYSA-N 0 1 219.313 2.448 20 0 BEADMN C[C@@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC000076110938 344795061 /nfs/dbraw/zinc/79/50/61/344795061.db2.gz YRRFQHTYCGBYCA-NXEZZACHSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC000076110936 344795170 /nfs/dbraw/zinc/79/51/70/344795170.db2.gz YRRFQHTYCGBYCA-AOOOYVTPSA-N 0 1 247.298 2.417 20 0 BEADMN C[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H]1C ZINC000076110722 344795226 /nfs/dbraw/zinc/79/52/26/344795226.db2.gz GFLIUKYADZZNJE-IUCAKERBSA-N 0 1 221.304 2.035 20 0 BEADMN CC(C)Cc1noc(CN2C[C@@H](C)[C@H](C)C2)n1 ZINC000076114204 344796846 /nfs/dbraw/zinc/79/68/46/344796846.db2.gz GNWJDEPCLNABEG-GHMZBOCLSA-N 0 1 237.347 2.356 20 0 BEADMN CCOC(=O)CN(C[C@@H](C)CC)C(C)C ZINC000050428228 344820878 /nfs/dbraw/zinc/82/08/78/344820878.db2.gz ONZXYWPVMPOHJE-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cn1ncc2c1CCCN(Cc1ccsc1)C2 ZINC000334864646 537862142 /nfs/dbraw/zinc/86/21/42/537862142.db2.gz QTIJRFLOTUFVPX-UHFFFAOYSA-N 0 1 247.367 2.430 20 0 BEADMN COC1CCC([N@@H+](C)Cc2ccon2)CC1 ZINC000077316352 344816518 /nfs/dbraw/zinc/81/65/18/344816518.db2.gz IZWOZLATGBNJEG-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN COC1CCC(N(C)Cc2ccon2)CC1 ZINC000077316352 344816520 /nfs/dbraw/zinc/81/65/20/344816520.db2.gz IZWOZLATGBNJEG-UHFFFAOYSA-N 0 1 224.304 2.064 20 0 BEADMN C[C@H]1CCCN(CC(=O)OC(C)(C)C)CC1 ZINC000068830722 133529620 /nfs/dbraw/zinc/52/96/20/133529620.db2.gz MPLXFNLEIOXOOM-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000628160422 344856870 /nfs/dbraw/zinc/85/68/70/344856870.db2.gz UPCXZJISZZLJIM-GXSJLCMTSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1c[nH]c(CN(C)C2Cc3ccccc3C2)n1 ZINC000628153454 344843708 /nfs/dbraw/zinc/84/37/08/344843708.db2.gz QBYUCCJCOLBEHH-UHFFFAOYSA-N 0 1 241.338 2.317 20 0 BEADMN C[C@@H](F)CCN1CCC(=O)CC12CCC2 ZINC000574412010 344844059 /nfs/dbraw/zinc/84/40/59/344844059.db2.gz YNRHDZSWXOVBSE-SNVBAGLBSA-N 0 1 213.296 2.322 20 0 BEADMN CCC[N@H+](CC(N)=O)C[C@H]1CCCC[C@H]1CC ZINC000628292690 347084438 /nfs/dbraw/zinc/08/44/38/347084438.db2.gz PSQKTIXAPRDISN-CHWSQXEVSA-N 0 1 240.391 2.400 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](n3ccnc3)C2)o1 ZINC000628162495 344863610 /nfs/dbraw/zinc/86/36/10/344863610.db2.gz SLVRDLCUCYDVLG-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000583395989 344886451 /nfs/dbraw/zinc/88/64/51/344886451.db2.gz VSEPMDOKIIAPMD-WZRBSPASSA-N 0 1 237.322 2.278 20 0 BEADMN CCN(Cc1nc(C)c(C)[nH]1)CC1CC1 ZINC000628173596 344894315 /nfs/dbraw/zinc/89/43/15/344894315.db2.gz CCQCKULFIDFRRG-UHFFFAOYSA-N 0 1 207.321 2.258 20 0 BEADMN Cc1c[nH]c(CN2CCCCC[C@H]2C)n1 ZINC000628174784 344896189 /nfs/dbraw/zinc/89/61/89/344896189.db2.gz XFSWEKZBFSYPDY-LLVKDONJSA-N 0 1 207.321 2.483 20 0 BEADMN c1coc(CCNCc2nccs2)c1 ZINC000082393918 344903018 /nfs/dbraw/zinc/90/30/18/344903018.db2.gz LRLLSYZIKMKCTM-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN C[C@H](NC[C@H]1CCCCO1)c1ncccc1F ZINC000528825955 262976662 /nfs/dbraw/zinc/97/66/62/262976662.db2.gz ROMJNWDJEWXCIJ-WDEREUQCSA-N 0 1 238.306 2.440 20 0 BEADMN Cc1nc(CN2C[C@@H](C)C[C@H]2C)[nH]c1C ZINC000628182621 344928417 /nfs/dbraw/zinc/92/84/17/344928417.db2.gz BWLAJTWBKIEAHS-DTWKUNHWSA-N 0 1 207.321 2.257 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)[C@H]2C)o1 ZINC000628179183 344914076 /nfs/dbraw/zinc/91/40/76/344914076.db2.gz QGIPBUMZAPEDHB-RKDXNWHRSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000628179101 344914205 /nfs/dbraw/zinc/91/42/05/344914205.db2.gz NZQNJNLAZPBEIF-KOLCDFICSA-N 0 1 207.321 2.339 20 0 BEADMN CC[C@H]1CCCC[C@H]1CN(C)Cc1nnc[nH]1 ZINC000628179659 344915759 /nfs/dbraw/zinc/91/57/59/344915759.db2.gz JPZRSERYJYDDEP-RYUDHWBXSA-N 0 1 236.363 2.453 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000628179660 344915862 /nfs/dbraw/zinc/91/58/62/344915862.db2.gz JPZRSERYJYDDEP-VXGBXAGGSA-N 0 1 236.363 2.453 20 0 BEADMN CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626106018 344980670 /nfs/dbraw/zinc/98/06/70/344980670.db2.gz ZAFGNSMVUQTYOW-JSGCOSHPSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)(C)OCCN1CCOC2(CCC2)C1 ZINC000154083515 345011766 /nfs/dbraw/zinc/01/17/66/345011766.db2.gz NIDWPUHQOFAPSM-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CC(C)CNC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000626106268 344998554 /nfs/dbraw/zinc/99/85/54/344998554.db2.gz KHIGSJSVNBNERB-JSGCOSHPSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](c1nccc(N)n1)N1C[C@@H](C)CC(C)(C)C1 ZINC000574766315 345005632 /nfs/dbraw/zinc/00/56/32/345005632.db2.gz GKHSEGBWQFBMCE-WDEREUQCSA-N 0 1 248.374 2.318 20 0 BEADMN COC(=O)C1CCN([C@H](C)c2cccnc2)CC1 ZINC000079875835 345048047 /nfs/dbraw/zinc/04/80/47/345048047.db2.gz HPEONYNZFFATJP-LLVKDONJSA-N 0 1 248.326 2.028 20 0 BEADMN Cn1nccc1CNC1(c2ccccc2)CC1 ZINC000080201471 345118742 /nfs/dbraw/zinc/11/87/42/345118742.db2.gz JTLJRQHQZXIUJP-UHFFFAOYSA-N 0 1 227.311 2.199 20 0 BEADMN C[C@H]1OCCN(Cc2ccccc2N(C)C)[C@@H]1C ZINC000156054921 345121910 /nfs/dbraw/zinc/12/19/10/345121910.db2.gz OHEOHXHKWXGOBY-CHWSQXEVSA-N 0 1 248.370 2.362 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000565308871 323084092 /nfs/dbraw/zinc/08/40/92/323084092.db2.gz DFKSJKSJFOUDCL-QMMMGPOBSA-N 0 1 225.313 2.288 20 0 BEADMN CC[C@@H](C)N1CCN(c2ccncc2F)CC1 ZINC000641630149 362560781 /nfs/dbraw/zinc/56/07/81/362560781.db2.gz TUCULHTVFRFCHB-LLVKDONJSA-N 0 1 237.322 2.141 20 0 BEADMN CCOC1(CNCc2ccon2)CCCC1 ZINC000634981718 345161713 /nfs/dbraw/zinc/16/17/13/345161713.db2.gz QCUFIRYHZDPEDV-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN Fc1ccc2c(c1)C[C@@H]1[C@H](NCc3ccon3)[C@H]21 ZINC000634987104 345173204 /nfs/dbraw/zinc/17/32/04/345173204.db2.gz MHUYBPAKFDDGOT-MJBXVCDLSA-N 0 1 244.269 2.242 20 0 BEADMN CCc1nc(CCNCc2ccon2)cs1 ZINC000634958533 345132592 /nfs/dbraw/zinc/13/25/92/345132592.db2.gz SJABZZXSMJOHII-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN Oc1ccc(CCCNCc2ccon2)cc1 ZINC000634962610 345137335 /nfs/dbraw/zinc/13/73/35/345137335.db2.gz XPBLAYAAOHSWSB-UHFFFAOYSA-N 0 1 232.283 2.103 20 0 BEADMN CC(C)[C@@H]1OCCC[C@@H]1CNCc1ccon1 ZINC000634967285 345142743 /nfs/dbraw/zinc/14/27/43/345142743.db2.gz KKDMKVPDNKZMCJ-YPMHNXCESA-N 0 1 238.331 2.215 20 0 BEADMN Cc1noc(C)c1[C@@H](C)CNCc1ccon1 ZINC000634972732 345147669 /nfs/dbraw/zinc/14/76/69/345147669.db2.gz FSUNQXGQPBGNOZ-QMMMGPOBSA-N 0 1 235.287 2.173 20 0 BEADMN Cc1cccc(CCCNCc2ccon2)n1 ZINC000634980343 345158310 /nfs/dbraw/zinc/15/83/10/345158310.db2.gz CRVJBPBXWXTSCJ-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000635021641 345223938 /nfs/dbraw/zinc/22/39/38/345223938.db2.gz HPPGEDIXXAXHSN-UWVGGRQHSA-N 0 1 249.301 2.464 20 0 BEADMN Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635061449 345233560 /nfs/dbraw/zinc/23/35/60/345233560.db2.gz HZJZPWHBWJVXSB-GHMZBOCLSA-N 0 1 241.294 2.460 20 0 BEADMN C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000635064619 345235964 /nfs/dbraw/zinc/23/59/64/345235964.db2.gz ZGZNFLAKPZEMLU-MRVPVSSYSA-N 0 1 226.707 2.229 20 0 BEADMN C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635066571 345238597 /nfs/dbraw/zinc/23/85/97/345238597.db2.gz ZQOZRMFFNAZIEL-NNYUYHANSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635077628 345241391 /nfs/dbraw/zinc/24/13/91/345241391.db2.gz IEYIUKLUALUXCA-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635077883 345241975 /nfs/dbraw/zinc/24/19/75/345241975.db2.gz JTAVVZDDTQJRPI-KKOKHZNYSA-N 0 1 247.342 2.208 20 0 BEADMN Cc1cc(C)c(C[N@H+]2CCC[C@H]2C(=O)[O-])c(C)n1 ZINC000635014714 345219227 /nfs/dbraw/zinc/21/92/27/345219227.db2.gz DXAXTZDBNBKYEY-ZDUSSCGKSA-N 0 1 248.326 2.056 20 0 BEADMN CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H](C)C(=O)[O-] ZINC000635018930 345222236 /nfs/dbraw/zinc/22/22/36/345222236.db2.gz RNUXYTAKUVFZKS-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CC(C)[C@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000635169699 345263345 /nfs/dbraw/zinc/26/33/45/345263345.db2.gz DCSSKLMARZYPMY-OCCSQVGLSA-N 0 1 248.370 2.450 20 0 BEADMN C[C@H](C(=O)N[C@@H](c1ccccc1)C1CC1)N(C)C ZINC000635170059 345263443 /nfs/dbraw/zinc/26/34/43/345263443.db2.gz HBTWVBJTXHITFX-RISCZKNCSA-N 0 1 246.354 2.204 20 0 BEADMN CCCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)C ZINC000635178991 345264730 /nfs/dbraw/zinc/26/47/30/345264730.db2.gz IGOSIOVBTRRMRA-CYBMUJFWSA-N 0 1 248.370 2.375 20 0 BEADMN C[C@H](C(=O)NCCCC1CCCC1)N(C)C ZINC000635216264 345274493 /nfs/dbraw/zinc/27/44/93/345274493.db2.gz IAQMVJLUISISCV-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H](C(=O)NC1(c2ccccc2)CCC1)N(C)C ZINC000635225265 345278034 /nfs/dbraw/zinc/27/80/34/345278034.db2.gz BWIWGQIWFYMOGD-GFCCVEGCSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(C)C)cc1 ZINC000635225387 345278630 /nfs/dbraw/zinc/27/86/30/345278630.db2.gz SKBLLXAZLOANNZ-NWDGAFQWSA-N 0 1 234.343 2.122 20 0 BEADMN CC(C)CN(C(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000635236440 345281238 /nfs/dbraw/zinc/28/12/38/345281238.db2.gz QVPCQVKLLRFDSG-ZDUSSCGKSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@@H]1CCCCN1C ZINC000635271191 345292380 /nfs/dbraw/zinc/29/23/80/345292380.db2.gz UFFBKHKLKSBKIS-ZDUSSCGKSA-N 0 1 238.375 2.118 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635281415 345293712 /nfs/dbraw/zinc/29/37/12/345293712.db2.gz ZAXSZCAVZNTPSS-GMTAPVOTSA-N 0 1 235.331 2.160 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC000635282511 345294593 /nfs/dbraw/zinc/29/45/93/345294593.db2.gz XOSFMEVTFSBOMQ-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1nc(C2CC2)cs1 ZINC000635409050 345352777 /nfs/dbraw/zinc/35/27/77/345352777.db2.gz WWYFSKILFQRTHE-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CCc1nnc(CN2CCCC(C)(C)CC2)[nH]1 ZINC000158672974 345361214 /nfs/dbraw/zinc/36/12/14/345361214.db2.gz WFPYSCBFQAJSJL-UHFFFAOYSA-N 0 1 236.363 2.379 20 0 BEADMN CC[C@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000158824932 345381031 /nfs/dbraw/zinc/38/10/31/345381031.db2.gz YUKIONDFIIQDPN-QMMMGPOBSA-N 0 1 223.320 2.370 20 0 BEADMN C[C@H](C(=O)NC1(C)CCC(C)CC1)N(C)C ZINC000635467478 345384548 /nfs/dbraw/zinc/38/45/48/345384548.db2.gz WOKLIWLNXPMIGL-QWKFWESOSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@H]1CCCN(Cc2n[nH]c(CC)n2)C1 ZINC000158895280 345384852 /nfs/dbraw/zinc/38/48/52/345384852.db2.gz NJHKGWXYBDEZQM-NSHDSACASA-N 0 1 236.363 2.379 20 0 BEADMN Cc1cc(CCN[C@H](C)c2nccs2)on1 ZINC000381342502 345412070 /nfs/dbraw/zinc/41/20/70/345412070.db2.gz XZNJJXUCMYCAIX-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1ncc(CNCCOc2ccccc2C)o1 ZINC000628207180 345421904 /nfs/dbraw/zinc/42/19/04/345421904.db2.gz LNBLKCPYBZZLMU-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN CC(C)OCCCN1CCOCC12CCC2 ZINC000135538598 345444242 /nfs/dbraw/zinc/44/42/42/345444242.db2.gz GGSACJABSNYUGJ-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN CCC1CCN(Cc2cnc3cnccn23)CC1 ZINC000271120316 168529029 /nfs/dbraw/zinc/52/90/29/168529029.db2.gz JKKGKDSBLDWVPW-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C ZINC000635488571 345393396 /nfs/dbraw/zinc/39/33/96/345393396.db2.gz XJHDESOACQRCMQ-TZMCWYRMSA-N 0 1 248.370 2.074 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)C ZINC000635498101 345401553 /nfs/dbraw/zinc/40/15/53/345401553.db2.gz SEHFZMALRZTMEI-JHJVBQTASA-N 0 1 240.391 2.268 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635502659 345403102 /nfs/dbraw/zinc/40/31/02/345403102.db2.gz CWELOWZJTAHDRL-GHMZBOCLSA-N 0 1 235.331 2.066 20 0 BEADMN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](C)N(C)C)c1 ZINC000635536130 345489338 /nfs/dbraw/zinc/48/93/38/345489338.db2.gz SQOMIZQVUMFLMD-QWHCGFSZSA-N 0 1 248.370 2.431 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2CC[C@H](C)C2)[nH]1 ZINC000182285051 323090184 /nfs/dbraw/zinc/09/01/84/323090184.db2.gz YPNICEFWGANNSR-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2CC[C@H](C)C2)n1 ZINC000182285051 323090185 /nfs/dbraw/zinc/09/01/85/323090185.db2.gz YPNICEFWGANNSR-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN C[C@@H]1CCCCN1C(=O)CN1CCC12CCC2 ZINC000081516016 345483539 /nfs/dbraw/zinc/48/35/39/345483539.db2.gz ZMVIKBNCSUHPQK-GFCCVEGCSA-N 0 1 236.359 2.016 20 0 BEADMN COC[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000084863690 345526985 /nfs/dbraw/zinc/52/69/85/345526985.db2.gz GQVXDRLLKRREQY-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN COc1ccc(CN2CCC2(C)C)cn1 ZINC000085822063 345535632 /nfs/dbraw/zinc/53/56/32/345535632.db2.gz VKLCJKNJGCKKDU-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN Cc1nc(C)c(-c2csc([C@H](C)N)n2)o1 ZINC000084422239 345512920 /nfs/dbraw/zinc/51/29/20/345512920.db2.gz NQBIHPBTDOSWME-YFKPBYRVSA-N 0 1 223.301 2.435 20 0 BEADMN CC(C)CC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000137478363 345638475 /nfs/dbraw/zinc/63/84/75/345638475.db2.gz UAYJFPLPPSUPMF-LLVKDONJSA-N 0 1 215.337 2.464 20 0 BEADMN CC(C)N(C)Cc1nc2c(s1)CCC2 ZINC000678833260 488289770 /nfs/dbraw/zinc/28/97/70/488289770.db2.gz VFJKBQVAFJJBJV-UHFFFAOYSA-N 0 1 210.346 2.472 20 0 BEADMN c1coc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093865684 345666154 /nfs/dbraw/zinc/66/61/54/345666154.db2.gz HWQKVGXHPSACBX-CQSZACIVSA-N 0 1 244.294 2.328 20 0 BEADMN CCOCCN(C)Cc1c(C)nc2ccccn21 ZINC000093316131 345652101 /nfs/dbraw/zinc/65/21/01/345652101.db2.gz KRDNAMIRFBUUCV-UHFFFAOYSA-N 0 1 247.342 2.111 20 0 BEADMN CN(C)c1ncc(CN2CCC2(C)C)s1 ZINC000093460371 345671647 /nfs/dbraw/zinc/67/16/47/345671647.db2.gz NPZILGVTPVGAIO-UHFFFAOYSA-N 0 1 225.361 2.193 20 0 BEADMN CCC[C@@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000114631193 345675575 /nfs/dbraw/zinc/67/55/75/345675575.db2.gz SFDOXTAHKNUDAX-GFCCVEGCSA-N 0 1 221.348 2.432 20 0 BEADMN CC(C)CSCCN1C[C@H](C)O[C@@H](C)C1 ZINC000134843951 345759277 /nfs/dbraw/zinc/75/92/77/345759277.db2.gz VXJWSUSTRPPRFI-RYUDHWBXSA-N 0 1 231.405 2.485 20 0 BEADMN CCC(C)(CC)NC(=O)[C@@H]1CCCCN1C ZINC000635557820 345716413 /nfs/dbraw/zinc/71/64/13/345716413.db2.gz FJCIMKUPRUDTNG-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H](C(=O)NCC[C@@H]1CCCC[C@@H]1C)N(C)C ZINC000635567852 345823400 /nfs/dbraw/zinc/82/34/00/345823400.db2.gz DOXFEJGMAKVOGS-XQQFMLRXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCCN1C)C1CCCC1 ZINC000635565220 345789924 /nfs/dbraw/zinc/78/99/24/345789924.db2.gz BKKPHTYGBUYZHH-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](F)CN[C@H](CO)c1ccccc1C ZINC000381399316 345802167 /nfs/dbraw/zinc/80/21/67/345802167.db2.gz QLVPZDWFIOJQLD-DGCLKSJQSA-N 0 1 225.307 2.366 20 0 BEADMN C=CC[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1C ZINC000141756096 345861271 /nfs/dbraw/zinc/86/12/71/345861271.db2.gz XTWXJMKFELPVFE-GFCCVEGCSA-N 0 1 219.284 2.239 20 0 BEADMN C/C=C(\C)c1nc(C2(N)CCCC2)no1 ZINC000381417041 345836664 /nfs/dbraw/zinc/83/66/64/345836664.db2.gz VBDMEUPRZWSLBH-FPYGCLRLSA-N 0 1 207.277 2.221 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)C)C1 ZINC000635600474 345886950 /nfs/dbraw/zinc/88/69/50/345886950.db2.gz ZRULYYGRXFAVQK-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H](C(=O)NCCCCC1CCCC1)N(C)C ZINC000635623789 345897691 /nfs/dbraw/zinc/89/76/91/345897691.db2.gz FQGQAKRRNJNWSZ-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1nc(C[S@](=O)c2ccc(C)cc2C)n[nH]1 ZINC000291868962 178934300 /nfs/dbraw/zinc/93/43/00/178934300.db2.gz JTBFXQFNKSLTDF-KRWDZBQOSA-N 0 1 249.339 2.038 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)N(C)C ZINC000635619513 345892693 /nfs/dbraw/zinc/89/26/93/345892693.db2.gz KZNUHCWGKCOOOM-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C)N(C)C ZINC000635582013 345878696 /nfs/dbraw/zinc/87/86/96/345878696.db2.gz GRXYTQNJMFGWSS-GHMZBOCLSA-N 0 1 228.380 2.268 20 0 BEADMN Cc1ccc([C@H](C)CNC(=O)[C@@H](C)N(C)C)cc1 ZINC000635587797 345882576 /nfs/dbraw/zinc/88/25/76/345882576.db2.gz FLGNFUVZTLCZRK-CHWSQXEVSA-N 0 1 248.370 2.165 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000635629945 345904117 /nfs/dbraw/zinc/90/41/17/345904117.db2.gz JCRZDEUJFQKSPW-TZMCWYRMSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000086790178 345938311 /nfs/dbraw/zinc/93/83/11/345938311.db2.gz ZPHIYFCOLKZQEB-AAEUAGOBSA-N 0 1 233.311 2.197 20 0 BEADMN C[C@H](N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1(C)CC1 ZINC000635662007 345944250 /nfs/dbraw/zinc/94/42/50/345944250.db2.gz RPZVZNBLUFTXHB-HBNTYKKESA-N 0 1 247.342 2.160 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CCCCC1(C)C)N(C)C ZINC000635674968 345971888 /nfs/dbraw/zinc/97/18/88/345971888.db2.gz GDXDPKRTHYJOTM-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN CCC1(CNC(=O)[C@@H](C)N(C)C)CCCC1 ZINC000635687130 345973438 /nfs/dbraw/zinc/97/34/38/345973438.db2.gz ORXQCHZRFVIMIC-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635679279 345975237 /nfs/dbraw/zinc/97/52/37/345975237.db2.gz CJZUMVASTHVJPI-GXTWGEPZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)n[nH]1 ZINC000154277698 537932628 /nfs/dbraw/zinc/93/26/28/537932628.db2.gz FBVAZSUHMRCJOY-QWRGUYRKSA-N 0 1 247.342 2.234 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C)CC1 ZINC000601007574 345997492 /nfs/dbraw/zinc/99/74/92/345997492.db2.gz WFRWZKHPKLHADF-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000635761847 346054016 /nfs/dbraw/zinc/05/40/16/346054016.db2.gz CSFOJPBFKNBZRK-STQMWFEESA-N 0 1 238.375 2.284 20 0 BEADMN CCc1ncc(CNC(=O)[C@]2(C)CCC[C@@H]2C)[nH]1 ZINC001639097828 1172072553 /nfs/dbraw/zinc/07/25/53/1172072553.db2.gz QNMMKAWHBPZTKY-IINYFYTJSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)=C(C)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000635714209 346026058 /nfs/dbraw/zinc/02/60/58/346026058.db2.gz AZDPIEZKMLEFPJ-LLVKDONJSA-N 0 1 247.342 2.130 20 0 BEADMN CC[C@H](N[C@H](C)CCn1cccn1)C(F)F ZINC000449364774 201884454 /nfs/dbraw/zinc/88/44/54/201884454.db2.gz TVPLBLMHJCTGAL-ZJUUUORDSA-N 0 1 231.290 2.295 20 0 BEADMN C[C@@H]1CCCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000635814278 346070918 /nfs/dbraw/zinc/07/09/18/346070918.db2.gz NOZULNKHQUDSQP-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)C1(C)CCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000635819405 346080378 /nfs/dbraw/zinc/08/03/78/346080378.db2.gz AGAAENMEVXZAJW-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCCC(C)(C)C1)N(C)C ZINC000635837634 346082277 /nfs/dbraw/zinc/08/22/77/346082277.db2.gz ILEUFMNYSIJHSL-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN CCC1(CC)CCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000635832815 346086035 /nfs/dbraw/zinc/08/60/35/346086035.db2.gz XQPRQNXLAORYDM-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](C(=O)NCC1(C)CCC(C)CC1)N(C)C ZINC000635877689 346096525 /nfs/dbraw/zinc/09/65/25/346096525.db2.gz NBOWGKYZJBGTAD-MBHSVXNSSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635892857 346104171 /nfs/dbraw/zinc/10/41/71/346104171.db2.gz DMEAZWMIQCALAB-IRCOFANPSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@H](C(=O)NCC1CCCCCC1)N(C)C ZINC000635988465 346139966 /nfs/dbraw/zinc/13/99/66/346139966.db2.gz SQIHMJRFLXYUCG-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CN(CCOC(C)(C)C)CC1(F)CC1 ZINC000684361432 488300806 /nfs/dbraw/zinc/30/08/06/488300806.db2.gz RUIVANPZBQDUJU-UHFFFAOYSA-N 0 1 203.301 2.235 20 0 BEADMN Cc1cccc(N2CCC(CCC(=O)[O-])CC2)[nH+]1 ZINC000575127848 346166061 /nfs/dbraw/zinc/16/60/61/346166061.db2.gz SFRSXDGUCINBHJ-UHFFFAOYSA-N 0 1 248.326 2.471 20 0 BEADMN CC(C)[C@H]1CN(C(=O)[C@@H](C)N(C)C)[C@H]1C(C)C ZINC000635997416 346149492 /nfs/dbraw/zinc/14/94/92/346149492.db2.gz WBOYBKBAHQJNCJ-UPJWGTAASA-N 0 1 240.391 2.076 20 0 BEADMN C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C)N(C)C ZINC000636017120 346156835 /nfs/dbraw/zinc/15/68/35/346156835.db2.gz YGLOSQBNGFDNMM-DMDPSCGWSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000636018481 346157850 /nfs/dbraw/zinc/15/78/50/346157850.db2.gz MMYNJMIAZSAAFY-OBJOEFQTSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CC(C)(C)CN1C(=O)[C@@H]1CCCCN1C ZINC000636027324 346161391 /nfs/dbraw/zinc/16/13/91/346161391.db2.gz WURYXBNSTTVPDC-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CC(C)(C)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636025632 346162248 /nfs/dbraw/zinc/16/22/48/346162248.db2.gz FIIJKDCMVHSOSY-GMTAPVOTSA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628240342 346202262 /nfs/dbraw/zinc/20/22/62/346202262.db2.gz AGNDGKXQAREJPV-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H]1[C@@H](C)N(Cc2cnc(C3CC3)o2)CCN1C ZINC000628240896 346203229 /nfs/dbraw/zinc/20/32/29/346203229.db2.gz ZIBBPKJODRYVPJ-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@H]1[C@H](C)N(Cc2cnc(C3CC3)o2)CCN1C ZINC000628240898 346203355 /nfs/dbraw/zinc/20/33/55/346203355.db2.gz ZIBBPKJODRYVPJ-QWRGUYRKSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1ccc(COCCc2c[nH]nn2)c(C)c1 ZINC000419052844 192098831 /nfs/dbraw/zinc/09/88/31/192098831.db2.gz IMJYSQFOXSWQFY-UHFFFAOYSA-N 0 1 231.299 2.181 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)o1 ZINC000628254441 346238778 /nfs/dbraw/zinc/23/87/78/346238778.db2.gz BFGVQJYIOLUSQY-CMPLNLGQSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1cccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1C ZINC000070075736 179012670 /nfs/dbraw/zinc/01/26/70/179012670.db2.gz JQEOSCAMOFZQCS-VXGBXAGGSA-N 0 1 246.354 2.126 20 0 BEADMN Cc1cccc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000336369451 179012992 /nfs/dbraw/zinc/01/29/92/179012992.db2.gz PXPOQHGQHWFJJS-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN CSc1ccc(CN[C@]2(C)CCOC2)o1 ZINC000641745596 362667019 /nfs/dbraw/zinc/66/70/19/362667019.db2.gz VXLUTTLAOXCBOL-LLVKDONJSA-N 0 1 227.329 2.270 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CCOCC3)CC2)n1 ZINC000628265969 346265388 /nfs/dbraw/zinc/26/53/88/346265388.db2.gz YWDORYBOFGGBQJ-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN C/C=C/C[C@@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC000626164814 346271941 /nfs/dbraw/zinc/27/19/41/346271941.db2.gz RKWNTCZSPBEOTO-MASHWEEQSA-N 0 1 248.374 2.476 20 0 BEADMN C/C=C/C[C@@H]1CCCN(Cc2cnnn2CC)C1 ZINC000626164814 346271943 /nfs/dbraw/zinc/27/19/43/346271943.db2.gz RKWNTCZSPBEOTO-MASHWEEQSA-N 0 1 248.374 2.476 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H](C3CC3)C2)n1 ZINC000628282501 346294477 /nfs/dbraw/zinc/29/44/77/346294477.db2.gz HNCRBSNSVJYBCJ-LBPRGKRZSA-N 0 1 219.332 2.340 20 0 BEADMN Cc1cccc(C)c1CN1CCNC(=O)C1(C)C ZINC000265660108 179035342 /nfs/dbraw/zinc/03/53/42/179035342.db2.gz RTUYDPZVSPDMLK-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN CC1(C)CN(Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC000279977164 346288824 /nfs/dbraw/zinc/28/88/24/346288824.db2.gz ZGVAVPXBIVHVKD-LBPRGKRZSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1cccc(C)c1CN1CCOCC1 ZINC000154018456 179036294 /nfs/dbraw/zinc/03/62/94/179036294.db2.gz ZHIOWQLQKJXXAP-UHFFFAOYSA-N 0 1 205.301 2.136 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000636068486 346309220 /nfs/dbraw/zinc/30/92/20/346309220.db2.gz IAMGZPKLJOSJBC-JSGCOSHPSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000636068487 346309297 /nfs/dbraw/zinc/30/92/97/346309297.db2.gz IAMGZPKLJOSJBC-OCCSQVGLSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC000636070878 346311571 /nfs/dbraw/zinc/31/15/71/346311571.db2.gz IKDKTOVNBBUCNK-LBPRGKRZSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC000636070543 346312161 /nfs/dbraw/zinc/31/21/61/346312161.db2.gz FLDPPYGWEYSOBC-NSHDSACASA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1CCC1(C)C ZINC000636070542 346312169 /nfs/dbraw/zinc/31/21/69/346312169.db2.gz FLDPPYGWEYSOBC-LLVKDONJSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1cccs1 ZINC000636074746 346313761 /nfs/dbraw/zinc/31/37/61/346313761.db2.gz MZBFQATXPPKLDP-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN COC1(CNc2cccc3[nH]nnc32)CCCC1 ZINC000641757748 362686362 /nfs/dbraw/zinc/68/63/62/362686362.db2.gz DDHNXHFDENCRAW-UHFFFAOYSA-N 0 1 246.314 2.329 20 0 BEADMN CC[C@@](C)(NC(=O)[C@@H]1CCCCN1C)C1CC1 ZINC000636204181 346352215 /nfs/dbraw/zinc/35/22/15/346352215.db2.gz JXXTUFVSEIAOIS-GXTWGEPZSA-N 0 1 238.375 2.166 20 0 BEADMN CC/C=C/CNCc1cc2c(cc1OC)OCO2 ZINC000449452406 201927794 /nfs/dbraw/zinc/92/77/94/201927794.db2.gz FWLNVFQWOOORAC-SNAWJCMRSA-N 0 1 249.310 2.480 20 0 BEADMN O=C(NCC1=CCCC1)[C@H]1CCN1C1CCCC1 ZINC000636227042 346360342 /nfs/dbraw/zinc/36/03/42/346360342.db2.gz LWRCGGUUUJNJDB-CQSZACIVSA-N 0 1 248.370 2.230 20 0 BEADMN Cc1cccc(CCNCc2csnn2)c1 ZINC000051669215 179057738 /nfs/dbraw/zinc/05/77/38/179057738.db2.gz NTNLUNVWAIKEDM-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN C[C@H](C(=O)NCC1C[C@H](C)C[C@@H](C)C1)N(C)C ZINC000636170442 346343161 /nfs/dbraw/zinc/34/31/61/346343161.db2.gz SMLUKLHCDZLKAB-IJLUTSLNSA-N 0 1 240.391 2.125 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636170899 346344395 /nfs/dbraw/zinc/34/43/95/346344395.db2.gz VEMHREGXBGPCNF-HBNTYKKESA-N 0 1 235.331 2.066 20 0 BEADMN C/C=C/C[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000636291373 346381393 /nfs/dbraw/zinc/38/13/93/346381393.db2.gz KKMPZPMRKFREPN-PBJSTTKNSA-N 0 1 238.375 2.141 20 0 BEADMN CCN1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000157410382 346382049 /nfs/dbraw/zinc/38/20/49/346382049.db2.gz DSSMUJWSLUNNSL-UHFFFAOYSA-N 0 1 240.297 2.102 20 0 BEADMN CCc1nc(CN(C)Cc2ccccc2C)n[nH]1 ZINC000157462671 346382648 /nfs/dbraw/zinc/38/26/48/346382648.db2.gz WIVKPMUGYPFUJO-UHFFFAOYSA-N 0 1 244.342 2.308 20 0 BEADMN Cc1cccc(CN(C)[C@@H]2CCCOC2)n1 ZINC000336553951 179068270 /nfs/dbraw/zinc/06/82/70/179068270.db2.gz LYWLLBDHADAKSI-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCN(CC1CCC1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621988071 370646941 /nfs/dbraw/zinc/64/69/41/370646941.db2.gz QRBTZOQGFPNZIZ-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN Cc1cccc(CN2CC(C(C)(C)O)C2)c1F ZINC000297298127 179074687 /nfs/dbraw/zinc/07/46/87/179074687.db2.gz BJLUQIKVEYNBPS-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)C(F)F ZINC000641792222 362725784 /nfs/dbraw/zinc/72/57/84/362725784.db2.gz SGISZRNQTFUWIV-XAVMHZPKSA-N 0 1 207.264 2.186 20 0 BEADMN COCC[C@@H]1CCC[C@H]1N[C@@H](C)C(F)F ZINC000641792603 362728220 /nfs/dbraw/zinc/72/82/20/362728220.db2.gz XPFLMEGHMDPIGQ-LPEHRKFASA-N 0 1 221.291 2.435 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000641787469 362723884 /nfs/dbraw/zinc/72/38/84/362723884.db2.gz BFOMFIJCLSAFMO-IUCAKERBSA-N 0 1 228.723 2.421 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000332810766 346446076 /nfs/dbraw/zinc/44/60/76/346446076.db2.gz KRDKHTOGEDUMSA-CKYFFXLPSA-N 0 1 247.342 2.340 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000641794041 362734626 /nfs/dbraw/zinc/73/46/26/362734626.db2.gz JQJSETHVKOZSGJ-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000641794041 362734632 /nfs/dbraw/zinc/73/46/32/362734632.db2.gz JQJSETHVKOZSGJ-BDAKNGLRSA-N 0 1 235.274 2.217 20 0 BEADMN C[C@@H](NCc1[nH]nc2ccccc21)C(F)F ZINC000641793333 362735487 /nfs/dbraw/zinc/73/54/87/362735487.db2.gz IZAXVBSAOKATGD-SSDOTTSWSA-N 0 1 225.242 2.306 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000641793297 362735649 /nfs/dbraw/zinc/73/56/49/362735649.db2.gz AANRYMULOCVTCP-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000641793297 362735654 /nfs/dbraw/zinc/73/56/54/362735654.db2.gz AANRYMULOCVTCP-IUCAKERBSA-N 0 1 235.274 2.074 20 0 BEADMN Cc1cccc(CN[C@@H]2C=C[C@H](CO)C2)c1F ZINC000294967362 179097947 /nfs/dbraw/zinc/09/79/47/179097947.db2.gz FGIFIXAXMVKGIV-WCQYABFASA-N 0 1 235.302 2.161 20 0 BEADMN c1cc(CN[C@@H]2CCOC3(CCCC3)C2)no1 ZINC000148855615 346470927 /nfs/dbraw/zinc/47/09/27/346470927.db2.gz WMTFYWUWFYUUEM-LLVKDONJSA-N 0 1 236.315 2.256 20 0 BEADMN Cc1nnsc1CNCc1cccc(C)c1 ZINC000291809967 179095172 /nfs/dbraw/zinc/09/51/72/179095172.db2.gz YAZZTFUBPGUYKU-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN C[C@H]1CCN(CCCc2cnn(C)c2)C[C@H]1F ZINC000679224175 488321058 /nfs/dbraw/zinc/32/10/58/488321058.db2.gz NVAYMKJYQDGVIH-WCQYABFASA-N 0 1 239.338 2.033 20 0 BEADMN CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000186069952 346491098 /nfs/dbraw/zinc/49/10/98/346491098.db2.gz GBVFNFYKLJNIDH-AWEZNQCLSA-N 0 1 219.328 2.340 20 0 BEADMN CC[C@H]1CN(CCOCC2CCC2)C[C@H](C)O1 ZINC000419208562 192103958 /nfs/dbraw/zinc/10/39/58/192103958.db2.gz RCHLCTAINRJDAB-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CC/C=C\CCN(CC)[C@H](C)CS(C)(=O)=O ZINC000342197221 346557632 /nfs/dbraw/zinc/55/76/32/346557632.db2.gz GHDNFSDNOLDGIP-QDZRJHCZSA-N 0 1 247.404 2.098 20 0 BEADMN C[C@@H](CN(C)C(=O)[C@@H](C)N(C)C)C(C)(C)C ZINC000636428789 346526012 /nfs/dbraw/zinc/52/60/12/346526012.db2.gz QBSDHMZOVTYXHS-WDEREUQCSA-N 0 1 228.380 2.077 20 0 BEADMN Cc1cccc(F)c1NC(=O)CN(C)C(C)C ZINC000181671983 179109826 /nfs/dbraw/zinc/10/98/26/179109826.db2.gz BBNIUGSKRFTWPV-UHFFFAOYSA-N 0 1 238.306 2.413 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H]1CC1(C)C ZINC000621043580 346585817 /nfs/dbraw/zinc/58/58/17/346585817.db2.gz FANJCYDRCVCDPI-WDEREUQCSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1cccc(NC(=O)[C@@H]2CCCN2C)c1 ZINC000082321017 179138965 /nfs/dbraw/zinc/13/89/65/179138965.db2.gz VQZOKQFTVKLJRD-LBPRGKRZSA-N 0 1 218.300 2.028 20 0 BEADMN CC[C@@H](NCc1nn(C)cc1Cl)C1CC1 ZINC000393394933 259393559 /nfs/dbraw/zinc/39/35/59/259393559.db2.gz CWMHPZYRUGWABF-SNVBAGLBSA-N 0 1 227.739 2.352 20 0 BEADMN CCN1CC[N@@H+](CC2(SC)CCC2)C[C@@H]1C ZINC000589498379 346709348 /nfs/dbraw/zinc/70/93/48/346709348.db2.gz UOJUTEQZFPVUTM-LBPRGKRZSA-N 0 1 242.432 2.298 20 0 BEADMN Cc1cccc(NC(=O)[C@H]2CCCN2C)c1 ZINC000082321019 179140117 /nfs/dbraw/zinc/14/01/17/179140117.db2.gz VQZOKQFTVKLJRD-GFCCVEGCSA-N 0 1 218.300 2.028 20 0 BEADMN Cc1cccc(NCCCCCCO)n1 ZINC000158371383 179144389 /nfs/dbraw/zinc/14/43/89/179144389.db2.gz HOMVSTITHZDVNE-UHFFFAOYSA-N 0 1 208.305 2.355 20 0 BEADMN CC[C@@H](NCc1ccoc1)c1cnn(C)c1 ZINC000166762783 346688812 /nfs/dbraw/zinc/68/88/12/346688812.db2.gz AEEGDLUYOXSLPI-GFCCVEGCSA-N 0 1 219.288 2.254 20 0 BEADMN Cc1nc(CNCC2(C(F)(F)F)CC2)[nH]c1C ZINC000580214132 346694592 /nfs/dbraw/zinc/69/45/92/346694592.db2.gz LHSQFYJNNOCXMV-UHFFFAOYSA-N 0 1 247.264 2.459 20 0 BEADMN Cc1cccc(NCCc2nccnc2C)n1 ZINC000292789063 179147311 /nfs/dbraw/zinc/14/73/11/179147311.db2.gz MKNVWCJMKPSEHZ-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN CCc1noc(CN2CCC[C@H]2CC)n1 ZINC000590062482 346769752 /nfs/dbraw/zinc/76/97/52/346769752.db2.gz DENWZKPVTUZIAS-SECBINFHSA-N 0 1 209.293 2.006 20 0 BEADMN Cc1cccc(NC[C@H]2CCCC[C@@H]2O)n1 ZINC000082997471 179149319 /nfs/dbraw/zinc/14/93/19/179149319.db2.gz KCQHYCATZPRQIU-NEPJUHHUSA-N 0 1 220.316 2.353 20 0 BEADMN COC(=O)c1cc(CN2CC(C3CC3)C2)oc1C ZINC000589736758 346734597 /nfs/dbraw/zinc/73/45/97/346734597.db2.gz IDCMWNGMHCSJKP-UHFFFAOYSA-N 0 1 249.310 2.216 20 0 BEADMN CO[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1(C)C ZINC000345366082 365865450 /nfs/dbraw/zinc/86/54/50/365865450.db2.gz YTOUHMZPTDWPBM-WISYIIOYSA-N 0 1 249.358 2.292 20 0 BEADMN Nc1cc(N)nc(SCC2=CCCCC2)n1 ZINC000577186734 365866971 /nfs/dbraw/zinc/86/69/71/365866971.db2.gz SQITZBOFPOKHEH-UHFFFAOYSA-N 0 1 236.344 2.064 20 0 BEADMN CCOc1cncc(CNc2nccn2CC)c1 ZINC000622002589 370653718 /nfs/dbraw/zinc/65/37/18/370653718.db2.gz PHEVRJWNPWWMAO-UHFFFAOYSA-N 0 1 246.314 2.309 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ncccc1CC ZINC000582042666 347118051 /nfs/dbraw/zinc/11/80/51/347118051.db2.gz VSGNDHLETNMNGE-CYZMBNFOSA-N 0 1 234.343 2.472 20 0 BEADMN CCc1nnc([C@H](C)N[C@@H]2CCC[C@@H]2C)o1 ZINC000390584570 259394319 /nfs/dbraw/zinc/39/43/19/259394319.db2.gz XVVSIGHPDLDZKO-LPEHRKFASA-N 0 1 223.320 2.471 20 0 BEADMN CO[C@H](C)C[N@H+](Cc1ncccc1[O-])C(C)C ZINC000580676888 365871922 /nfs/dbraw/zinc/87/19/22/365871922.db2.gz FGYMFUNHAFJQKB-LLVKDONJSA-N 0 1 238.331 2.033 20 0 BEADMN CO[C@H](C)C[N@@H+](Cc1ncccc1[O-])C(C)C ZINC000580676888 365871926 /nfs/dbraw/zinc/87/19/26/365871926.db2.gz FGYMFUNHAFJQKB-LLVKDONJSA-N 0 1 238.331 2.033 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(F)ccc1OC ZINC000580676499 365872038 /nfs/dbraw/zinc/87/20/38/365872038.db2.gz KSXNFFBHGSSBIH-WCQYABFASA-N 0 1 239.290 2.101 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000388028932 347158352 /nfs/dbraw/zinc/15/83/52/347158352.db2.gz GQTYSOIMUNDYNQ-ZJUUUORDSA-N 0 1 243.310 2.339 20 0 BEADMN CC(=O)c1cc(CN2CCCC[C@H](C)C2)on1 ZINC000582070795 347169557 /nfs/dbraw/zinc/16/95/57/347169557.db2.gz XYSYHAIALCYHFC-JTQLQIEISA-N 0 1 236.315 2.499 20 0 BEADMN CC[C@H](NCC(C)(F)F)[C@@H]1CCOC1 ZINC000382156481 347204547 /nfs/dbraw/zinc/20/45/47/347204547.db2.gz RIVGDOGIGUZXQN-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)c2cc[nH]c(=O)c2)o1 ZINC000628295334 347212767 /nfs/dbraw/zinc/21/27/67/347212767.db2.gz LDSGGWLRTVRUEA-MRVPVSSYSA-N 0 1 247.298 2.243 20 0 BEADMN C[C@H](F)CC[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000571181425 323137789 /nfs/dbraw/zinc/13/77/89/323137789.db2.gz YBYQPTRARJPPJO-JTQLQIEISA-N 0 1 231.311 2.454 20 0 BEADMN CCCC[C@@H](C)[C@H](C)NCc1ncn(C)n1 ZINC000310011578 347218675 /nfs/dbraw/zinc/21/86/75/347218675.db2.gz IUAKIWSARMSXFL-MNOVXSKESA-N 0 1 224.352 2.120 20 0 BEADMN Cc1cccc([C@H](C)N(C)CC(=O)NC2CC2)c1 ZINC000152839099 179193849 /nfs/dbraw/zinc/19/38/49/179193849.db2.gz SXANGSQBLWHKTM-LBPRGKRZSA-N 0 1 246.354 2.266 20 0 BEADMN CO[C@H](CNCc1cc(C)no1)CC(C)C ZINC000631158508 347243583 /nfs/dbraw/zinc/24/35/83/347243583.db2.gz BMBXGWVOJOXAGN-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1cnc(C2CC2)o1 ZINC000628296417 347244162 /nfs/dbraw/zinc/24/41/62/347244162.db2.gz KQAWJAFBBXCIKF-GFCCVEGCSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1ncc(CN2CCCO[C@H](C(C)C)C2)o1 ZINC000628297225 347246247 /nfs/dbraw/zinc/24/62/47/347246247.db2.gz OEFXGRQAMMXROA-ZDUSSCGKSA-N 0 1 238.331 2.230 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000300846260 347269359 /nfs/dbraw/zinc/26/93/59/347269359.db2.gz AMVRCDCBWJXFEQ-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(C)CC(CC(=O)N2CCc3nc[nH]c3C2)C1 ZINC000627372857 347271625 /nfs/dbraw/zinc/27/16/25/347271625.db2.gz YLWMKFCNUWNBFU-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN CC(C)c1cc(C(=O)N(C)Cc2ccc[nH]2)n[nH]1 ZINC000081986415 347283998 /nfs/dbraw/zinc/28/39/98/347283998.db2.gz APBFQKPHNJWINF-UHFFFAOYSA-N 0 1 246.314 2.133 20 0 BEADMN F[C@@H]1CCN(Cc2cccc3n[nH]cc32)C1 ZINC000628298985 347345710 /nfs/dbraw/zinc/34/57/10/347345710.db2.gz ZDLFFYQZDJPRPO-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN COCC(COC)NCc1cc2ccccc2o1 ZINC000388381279 347374308 /nfs/dbraw/zinc/37/43/08/347374308.db2.gz PIPZFQCVGVOFNO-UHFFFAOYSA-N 0 1 249.310 2.184 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC000193329423 347395646 /nfs/dbraw/zinc/39/56/46/347395646.db2.gz QOOTWIFGZBGBHM-NEPJUHHUSA-N 0 1 249.358 2.427 20 0 BEADMN CCCC(C)(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616921057 347450005 /nfs/dbraw/zinc/45/00/05/347450005.db2.gz DJIQLNQERZCJCJ-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN C[C@H]1CCCC[C@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616921606 347451763 /nfs/dbraw/zinc/45/17/63/347451763.db2.gz XGMBTBSSKKSOTQ-CMPLNLGQSA-N 0 1 235.331 2.194 20 0 BEADMN CO[C@@H]1CCN(Cc2cnc(C)o2)CC1(C)C ZINC000628299718 347430565 /nfs/dbraw/zinc/43/05/65/347430565.db2.gz XZQWFFKENZURME-GFCCVEGCSA-N 0 1 238.331 2.230 20 0 BEADMN C[C@H](C(=O)N(C)Cc1cnc[nH]1)C(C)(C)C ZINC000616925783 347457043 /nfs/dbraw/zinc/45/70/43/347457043.db2.gz QABSQYGNAWYDLV-SECBINFHSA-N 0 1 223.320 2.050 20 0 BEADMN CC[C@H](CSC)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000571451936 323145182 /nfs/dbraw/zinc/14/51/82/323145182.db2.gz CYMFZJWQIIJBMJ-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN CCc1cc(C)c(C(=O)N(C)Cc2cnc[nH]2)o1 ZINC000616926513 347457906 /nfs/dbraw/zinc/45/79/06/347457906.db2.gz FZIVGYZLOKZKDF-UHFFFAOYSA-N 0 1 247.298 2.146 20 0 BEADMN CC(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000196412578 347503970 /nfs/dbraw/zinc/50/39/70/347503970.db2.gz AWLNBAHUFDZRFR-UHFFFAOYSA-N 0 1 235.331 2.162 20 0 BEADMN CC(C)(CNCc1cnccn1)C(F)(F)F ZINC000571619731 323149392 /nfs/dbraw/zinc/14/93/92/323149392.db2.gz NMZDRPPJCYHZJC-UHFFFAOYSA-N 0 1 233.237 2.155 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CCC[C@@H]1C1CC1 ZINC000590819140 347569040 /nfs/dbraw/zinc/56/90/40/347569040.db2.gz ZWLHFNMZWGSRGL-LLVKDONJSA-N 0 1 233.315 2.321 20 0 BEADMN Cc1ccccc1CCN(C)Cc1ccn(C)n1 ZINC000295198744 179263072 /nfs/dbraw/zinc/26/30/72/179263072.db2.gz YHMFMEHBARILEF-UHFFFAOYSA-N 0 1 243.354 2.403 20 0 BEADMN Cc1ccccc1CCCOCCc1c[nH]nn1 ZINC000357019660 179263406 /nfs/dbraw/zinc/26/34/06/179263406.db2.gz PCSBWKWWELTQDT-UHFFFAOYSA-N 0 1 245.326 2.305 20 0 BEADMN CC(C)(CNC(=O)c1ncn[nH]1)C1=CCCCC1 ZINC000358663830 187379263 /nfs/dbraw/zinc/37/92/63/187379263.db2.gz RUOAOJJXNNENRZ-UHFFFAOYSA-N 0 1 248.330 2.061 20 0 BEADMN CC(C)(CNC(=O)c1nc[nH]n1)C1=CCCCC1 ZINC000358663830 187379264 /nfs/dbraw/zinc/37/92/64/187379264.db2.gz RUOAOJJXNNENRZ-UHFFFAOYSA-N 0 1 248.330 2.061 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C1CC1 ZINC000591159250 347626639 /nfs/dbraw/zinc/62/66/39/347626639.db2.gz FILRONOCAYGAAM-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cnc(CN2C[C@@H](C)C[C@H]2C)o1 ZINC000525787661 259397264 /nfs/dbraw/zinc/39/72/64/259397264.db2.gz LDHOBXWWIIDMGU-VHSXEESVSA-N 0 1 208.305 2.467 20 0 BEADMN CCC[C@H](NCc1cn[nH]c1)c1ccccn1 ZINC000591699063 347690097 /nfs/dbraw/zinc/69/00/97/347690097.db2.gz LOLICAMOGYOEIQ-LBPRGKRZSA-N 0 1 230.315 2.436 20 0 BEADMN CS[C@H](C)CCc1nc([C@@H]2CCCN2)no1 ZINC000592357068 347772478 /nfs/dbraw/zinc/77/24/78/347772478.db2.gz RWXRKPMUPFLFLB-BDAKNGLRSA-N 0 1 241.360 2.178 20 0 BEADMN CCN(CCn1cc(C)cn1)Cc1ccoc1 ZINC000592419285 347775525 /nfs/dbraw/zinc/77/55/25/347775525.db2.gz NRPJYLZFVHFQKP-UHFFFAOYSA-N 0 1 233.315 2.307 20 0 BEADMN Cc1ccccc1CNc1ccncc1C(N)=O ZINC000302006623 179286250 /nfs/dbraw/zinc/28/62/50/179286250.db2.gz AIHODHAVABDLHF-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN C=Cn1cc(CN(CC)CCSC)cn1 ZINC000592526463 347795668 /nfs/dbraw/zinc/79/56/68/347795668.db2.gz AZRWWXFJSPRMFC-UHFFFAOYSA-N 0 1 225.361 2.169 20 0 BEADMN CCn1ccnc1CNCCOC(C)(C)CC ZINC000308531197 347801442 /nfs/dbraw/zinc/80/14/42/347801442.db2.gz AJDFOENEQYFZFU-UHFFFAOYSA-N 0 1 239.363 2.198 20 0 BEADMN CCCN(C)CC(=O)N1CCc2ccc(C)cc21 ZINC000592859706 347825927 /nfs/dbraw/zinc/82/59/27/347825927.db2.gz SKQBNDGSWVYSIU-UHFFFAOYSA-N 0 1 246.354 2.226 20 0 BEADMN Cc1ccccc1Cc1nc([C@@H]2CCCN2)no1 ZINC000071396554 179293317 /nfs/dbraw/zinc/29/33/17/179293317.db2.gz ZPDHHAPKRRIWGL-LBPRGKRZSA-N 0 1 243.310 2.393 20 0 BEADMN Cc1cc(C)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593102208 347858447 /nfs/dbraw/zinc/85/84/47/347858447.db2.gz RDUTUFXDCKZQHC-GRDNDAEWSA-N 0 1 249.379 2.009 20 0 BEADMN Cn1cccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000679741615 488365439 /nfs/dbraw/zinc/36/54/39/488365439.db2.gz YMZZPXSQVMLPCH-LLVKDONJSA-N 0 1 244.285 2.229 20 0 BEADMN Cc1ccccc1Sc1nccnc1CN ZINC000054378841 179316496 /nfs/dbraw/zinc/31/64/96/179316496.db2.gz BLPOWMUTFDDSQW-UHFFFAOYSA-N 0 1 231.324 2.395 20 0 BEADMN Cc1csc(CN2CCC[C@@H]([C@@H](C)O)C2)n1 ZINC000305619831 323170638 /nfs/dbraw/zinc/17/06/38/323170638.db2.gz HCAFDYXWIDCCFV-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CCC[C@H]([C@H](C)O)C2)n1 ZINC000305619834 323170641 /nfs/dbraw/zinc/17/06/41/323170641.db2.gz HCAFDYXWIDCCFV-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)(C)OC(=O)CCCSc1cn[nH]n1 ZINC000201742123 347924430 /nfs/dbraw/zinc/92/44/30/347924430.db2.gz SEKWFKXJSMVFGK-UHFFFAOYSA-N 0 1 243.332 2.019 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H](C)C(C)C ZINC000294787268 179325172 /nfs/dbraw/zinc/32/51/72/179325172.db2.gz OEGUQEKXXZXFMI-WCQYABFASA-N 0 1 234.343 2.156 20 0 BEADMN Cc1ccccc1[C@@H]1CN(C[C@@H](C)O)[C@@H](C)CO1 ZINC000249609736 179330846 /nfs/dbraw/zinc/33/08/46/179330846.db2.gz RXBJPDNUROMTED-GUTXKFCHSA-N 0 1 249.354 2.138 20 0 BEADMN CCc1cnc(CN2CCC[C@H](C)C2)o1 ZINC000075616495 348019712 /nfs/dbraw/zinc/01/97/12/348019712.db2.gz ZHITVGWTIOFGFN-JTQLQIEISA-N 0 1 208.305 2.469 20 0 BEADMN Cc1cc(CNC(=O)c2c(C)oc(C)c2C)n[nH]1 ZINC000603484767 349978374 /nfs/dbraw/zinc/97/83/74/349978374.db2.gz CORGHNDLRKAMIB-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+](C)CC1CC1 ZINC000077366187 179332896 /nfs/dbraw/zinc/33/28/96/179332896.db2.gz JUDRIOFLWAAXSH-CYBMUJFWSA-N 0 1 233.311 2.463 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)[C@@H]1CCN(C)C1=O ZINC000268944172 179334224 /nfs/dbraw/zinc/33/42/24/179334224.db2.gz LLFVWVGJDCHGHT-GXTWGEPZSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)[O-] ZINC000082717635 179334497 /nfs/dbraw/zinc/33/44/97/179334497.db2.gz GXDUIDGODJAGSO-JTQLQIEISA-N 0 1 207.273 2.072 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000295308943 179344065 /nfs/dbraw/zinc/34/40/65/179344065.db2.gz YHHGDAJWRJJFSO-YUTCNCBUSA-N 0 1 246.354 2.300 20 0 BEADMN CCc1nc([C@@H](C)S[C@H](C)C(C)=O)n[nH]1 ZINC000594891972 348125746 /nfs/dbraw/zinc/12/57/46/348125746.db2.gz ZJGOFQCBPZHPGR-HTQZYQBOSA-N 0 1 227.333 2.139 20 0 BEADMN COC(=O)c1cc(CN2CC(C3CC3)C2)c(C)o1 ZINC000594608796 348081395 /nfs/dbraw/zinc/08/13/95/348081395.db2.gz BIFMDCXFVVLAKO-UHFFFAOYSA-N 0 1 249.310 2.216 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)c2ccccc2)n[nH]1 ZINC000594660361 348094103 /nfs/dbraw/zinc/09/41/03/348094103.db2.gz LJZNXDKRLWAVHM-HUTHGQBESA-N 0 1 249.339 2.236 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)CC(C)(C)C)n[nH]1 ZINC000594665888 348095233 /nfs/dbraw/zinc/09/52/33/348095233.db2.gz NTXAMGIHXIIOCB-PWJLMRLQSA-N 0 1 243.376 2.223 20 0 BEADMN CCCCC[S@](=O)[C@@H](C)c1n[nH]c(CC)n1 ZINC000594666433 348095243 /nfs/dbraw/zinc/09/52/43/348095243.db2.gz QBWOQAMGRVOSQG-FVMDXXJSSA-N 0 1 243.376 2.367 20 0 BEADMN CCCCC[S@@](=O)[C@H](C)c1n[nH]c(CC)n1 ZINC000594666434 348095517 /nfs/dbraw/zinc/09/55/17/348095517.db2.gz QBWOQAMGRVOSQG-JDNHERCYSA-N 0 1 243.376 2.367 20 0 BEADMN C[C@@H](CSCCF)NCc1cscn1 ZINC000595016975 348170797 /nfs/dbraw/zinc/17/07/97/348170797.db2.gz TXJWQAAWOVPYQN-QMMMGPOBSA-N 0 1 234.365 2.324 20 0 BEADMN CCc1nc([C@H](C)S[C@@H]2CCCOC2)n[nH]1 ZINC000594898336 348131137 /nfs/dbraw/zinc/13/11/37/348131137.db2.gz NVXPVDGEFJKACN-DTWKUNHWSA-N 0 1 241.360 2.340 20 0 BEADMN Cc1ncc(CN[C@@H](C)CSCCF)o1 ZINC000595053596 348181349 /nfs/dbraw/zinc/18/13/49/348181349.db2.gz WRTWFVJCGYSREE-QMMMGPOBSA-N 0 1 232.324 2.164 20 0 BEADMN Cc1cccnc1CCCNCc1cocn1 ZINC000294980100 179368922 /nfs/dbraw/zinc/36/89/22/179368922.db2.gz JRDZGVPTQQEEMN-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCC1CCC1 ZINC000595441619 348250267 /nfs/dbraw/zinc/25/02/67/348250267.db2.gz MSQIGAUUJSDGEV-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCC1CCC1 ZINC000595441622 348250523 /nfs/dbraw/zinc/25/05/23/348250523.db2.gz MSQIGAUUJSDGEV-YPMHNXCESA-N 0 1 239.359 2.450 20 0 BEADMN CC1(C)C[S@@](=O)CCN1CCC1CCC1 ZINC000595452402 348254065 /nfs/dbraw/zinc/25/40/65/348254065.db2.gz KLLDDKOSTJMHBM-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@H]1CN(CCCC2CCC2)CC[S@@](=O)C1 ZINC000595459621 348255885 /nfs/dbraw/zinc/25/58/85/348255885.db2.gz QNUNRBDSYDTYIM-BLLLJJGKSA-N 0 1 243.416 2.267 20 0 BEADMN CCOC(=O)[C@@H](C)N(CC1CC=CC1)C1CC1 ZINC000595459241 348256420 /nfs/dbraw/zinc/25/64/20/348256420.db2.gz XTUMSTNGTOLTIA-LLVKDONJSA-N 0 1 237.343 2.369 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCC1CCC1 ZINC000595466081 348257535 /nfs/dbraw/zinc/25/75/35/348257535.db2.gz QXJITZWBWONZHE-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595347038 348236159 /nfs/dbraw/zinc/23/61/59/348236159.db2.gz ITYLZWGVGYETPX-RVMXOQNASA-N 0 1 239.359 2.304 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595347037 348236223 /nfs/dbraw/zinc/23/62/23/348236223.db2.gz ITYLZWGVGYETPX-FVCCEPFGSA-N 0 1 239.359 2.304 20 0 BEADMN C[C@@H]1CN(CCOCC2CCC2)[C@H](C)[C@H](C)O1 ZINC000419259622 192117073 /nfs/dbraw/zinc/11/70/73/192117073.db2.gz PAKGAYOEPLZBTN-UPJWGTAASA-N 0 1 241.375 2.301 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC(C2CCC2)CC1 ZINC000595659984 348299547 /nfs/dbraw/zinc/29/95/47/348299547.db2.gz PKAOXHCEYZDYGM-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)C12CC(C1)CN2CCCC1CCC1 ZINC000595679301 348311347 /nfs/dbraw/zinc/31/13/47/348311347.db2.gz BYCKZBDGWBAAQE-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN COC(=O)c1oc(CN2CC[C@H]3C[C@H]3C2)cc1C ZINC000595807465 348348796 /nfs/dbraw/zinc/34/87/96/348348796.db2.gz JGFRFGMJETXAMV-QWRGUYRKSA-N 0 1 249.310 2.216 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC[C@@H](CCF)C1 ZINC000595754809 348329602 /nfs/dbraw/zinc/32/96/02/348329602.db2.gz CJAGNEGXVIYAAP-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000595756843 348331432 /nfs/dbraw/zinc/33/14/32/348331432.db2.gz XVZXYXYMYTWFQN-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000595832975 348366631 /nfs/dbraw/zinc/36/66/31/348366631.db2.gz LBSFNYVZRCQBBB-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419331697 192123720 /nfs/dbraw/zinc/12/37/20/192123720.db2.gz JOQVWKAMJZUHLL-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)c1ccc(CN2CC3CC2(C)C3)o1 ZINC000595917097 348400236 /nfs/dbraw/zinc/40/02/36/348400236.db2.gz XGNVKPKWLHMOGX-UHFFFAOYSA-N 0 1 235.283 2.051 20 0 BEADMN CC[C@@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000268506709 187398217 /nfs/dbraw/zinc/39/82/17/187398217.db2.gz BBZRJIXWSRBHNA-SECBINFHSA-N 0 1 228.361 2.047 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2cnns2)[C@H]1C ZINC000419365742 192127933 /nfs/dbraw/zinc/12/79/33/192127933.db2.gz YEORSKVASWUIDS-HLTSFMKQSA-N 0 1 211.334 2.014 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2cnns2)C[C@H]1C ZINC000419365745 192128102 /nfs/dbraw/zinc/12/81/02/192128102.db2.gz YEORSKVASWUIDS-IWSPIJDZSA-N 0 1 211.334 2.014 20 0 BEADMN CC[C@@H](CSCc1n[nH]c(C2CC2)n1)OC ZINC000419618277 192142651 /nfs/dbraw/zinc/14/26/51/192142651.db2.gz BMMBOJXDUPQGIC-VIFPVBQESA-N 0 1 241.360 2.340 20 0 BEADMN CC[C@H](CSCc1n[nH]c(C2CC2)n1)OC ZINC000419618276 192142714 /nfs/dbraw/zinc/14/27/14/192142714.db2.gz BMMBOJXDUPQGIC-SECBINFHSA-N 0 1 241.360 2.340 20 0 BEADMN CC1(C)COC[C@H]1NCc1cnc(C2CC2)o1 ZINC000628300774 348598648 /nfs/dbraw/zinc/59/86/48/348598648.db2.gz WCQFMJMKAAXHDZ-LLVKDONJSA-N 0 1 236.315 2.067 20 0 BEADMN COC(=O)CC(C)(C)C[C@H](C)NCC(F)F ZINC000597125928 348664370 /nfs/dbraw/zinc/66/43/70/348664370.db2.gz DPHWYPBUCAMSHV-QMMMGPOBSA-N 0 1 237.290 2.209 20 0 BEADMN CO[C@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000069847819 490188519 /nfs/dbraw/zinc/18/85/19/490188519.db2.gz YZHUFJVHNQCVKF-PWSUYJOCSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cnc([C@H](C)NC[C@H]2CCCO2)s1 ZINC000045206280 179654545 /nfs/dbraw/zinc/65/45/45/179654545.db2.gz FSBGDLXULYQOSY-VHSXEESVSA-N 0 1 226.345 2.281 20 0 BEADMN CCOCCCNCc1csc(CC)n1 ZINC000054918016 348792202 /nfs/dbraw/zinc/79/22/02/348792202.db2.gz XWXDNKBMPBRCPO-UHFFFAOYSA-N 0 1 228.361 2.222 20 0 BEADMN C[C@@H]1CCC[C@@H](Sc2nc(N)cc(N)n2)C1 ZINC000070565324 323200840 /nfs/dbraw/zinc/20/08/40/323200840.db2.gz KHRPRYGVHVETHX-HTQZYQBOSA-N 0 1 238.360 2.312 20 0 BEADMN Cc1cnccc1CN(C)C[C@H]1CCCO1 ZINC000294506936 179696525 /nfs/dbraw/zinc/69/65/25/179696525.db2.gz CBXMYNWNURTREZ-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN c1[nH]nnc1CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000598718021 349026511 /nfs/dbraw/zinc/02/65/11/349026511.db2.gz IWXJWZWRIASALI-BBBLOLIVSA-N 0 1 223.345 2.474 20 0 BEADMN Cn1ccnc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000075768666 349035579 /nfs/dbraw/zinc/03/55/79/349035579.db2.gz HBKXIGIEVNQWSM-RYUDHWBXSA-N 0 1 219.332 2.185 20 0 BEADMN Cc1ncc(CNC[C@@H]2CCC(C)(C)O2)o1 ZINC000397907924 362937625 /nfs/dbraw/zinc/93/76/25/362937625.db2.gz GAQQEEQUHAJVPB-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN Cc1nnc(CN2CC[C@H](C)C[C@@H](C)C2)o1 ZINC000246653808 349103172 /nfs/dbraw/zinc/10/31/72/349103172.db2.gz KHXCAHPISJCNDM-VHSXEESVSA-N 0 1 223.320 2.246 20 0 BEADMN CC[C@H](C)[N@@H+](CCCCCF)CC(=O)[O-] ZINC000308909854 349058910 /nfs/dbraw/zinc/05/89/10/349058910.db2.gz GDKAESGDXBAAGE-JTQLQIEISA-N 0 1 219.300 2.311 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccnn2C)cc(C)n1 ZINC000421850591 192394300 /nfs/dbraw/zinc/39/43/00/192394300.db2.gz DPFPGROXXUKVIW-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2occc2C(=O)[O-])C[C@H]1C ZINC000253079175 349226114 /nfs/dbraw/zinc/22/61/14/349226114.db2.gz UIWRDRMLEBNSNS-NXEZZACHSA-N 0 1 237.299 2.456 20 0 BEADMN CSCC[N@H+]1CCc2c(O)cccc2C1 ZINC000599646856 349239924 /nfs/dbraw/zinc/23/99/24/349239924.db2.gz MEMZROJFLKNSAC-UHFFFAOYSA-N 0 1 223.341 2.113 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCC1CCCC1 ZINC000300731385 349293141 /nfs/dbraw/zinc/29/31/41/349293141.db2.gz FSJWHCPMFJAMJZ-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN C/C=C/C[C@@H]1CCCN([C@H](C)C(=O)OC)C1 ZINC000599693300 349246829 /nfs/dbraw/zinc/24/68/29/349246829.db2.gz ZMADHYCXEBBTKF-GKUNOOHESA-N 0 1 225.332 2.226 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000185567841 179854016 /nfs/dbraw/zinc/85/40/16/179854016.db2.gz JLOCFEAVKDOCHR-YPMHNXCESA-N 0 1 235.331 2.017 20 0 BEADMN Cc1nnc([C@H](C)N[C@H](C)CC(C)C)o1 ZINC000309009922 349286438 /nfs/dbraw/zinc/28/64/38/349286438.db2.gz RIHGBJLLOWMLNO-BDAKNGLRSA-N 0 1 211.309 2.463 20 0 BEADMN CC(C)(C)CCC[N@H+]1CCSC[C@H]1C(=O)[O-] ZINC000300839213 349357271 /nfs/dbraw/zinc/35/72/71/349357271.db2.gz JMHJNFIERWOZCX-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN C[C@H](SCc1nn[nH]n1)c1ccccc1 ZINC000095230352 349370535 /nfs/dbraw/zinc/37/05/35/349370535.db2.gz NDMCSCQUZAODHH-QMMMGPOBSA-N 0 1 220.301 2.194 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H](C)CC(C)C ZINC000300903782 349425694 /nfs/dbraw/zinc/42/56/94/349425694.db2.gz LFBKFCFNWKFBSZ-NSHDSACASA-N 0 1 215.337 2.465 20 0 BEADMN CCc1nc(CN2CC[C@H]2c2ccccc2)n[nH]1 ZINC000354856422 349410957 /nfs/dbraw/zinc/41/09/57/349410957.db2.gz RNJNGRCOWZQYOZ-LBPRGKRZSA-N 0 1 242.326 2.314 20 0 BEADMN CCc1nc(CN2CC[C@@H]2c2ccccc2)n[nH]1 ZINC000354856417 349416079 /nfs/dbraw/zinc/41/60/79/349416079.db2.gz RNJNGRCOWZQYOZ-GFCCVEGCSA-N 0 1 242.326 2.314 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC000070914582 350073834 /nfs/dbraw/zinc/07/38/34/350073834.db2.gz RKTRJPRMHYKDBD-ZETCQYMHSA-N 0 1 227.226 2.124 20 0 BEADMN Cc1nnc(CN[C@H]2CC=C(C)CC2)s1 ZINC000309114718 350033717 /nfs/dbraw/zinc/03/37/17/350033717.db2.gz KYZFNIXRKCUXAU-JTQLQIEISA-N 0 1 223.345 2.435 20 0 BEADMN Cc1nc(CNCCc2cccnc2)cs1 ZINC000037502680 179966920 /nfs/dbraw/zinc/96/69/20/179966920.db2.gz AALXITAKIRVSAV-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN Cc1ccnc(CN[C@H](C)C(C)(C)C)n1 ZINC000309150535 350107608 /nfs/dbraw/zinc/10/76/08/350107608.db2.gz WGESVLOTINENHZ-SNVBAGLBSA-N 0 1 207.321 2.309 20 0 BEADMN Cc1nnc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH]1 ZINC000294640807 180010833 /nfs/dbraw/zinc/01/08/33/180010833.db2.gz QOMWELLJYPOIIH-KHQFGBGNSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2CCCOC2)cs1 ZINC000071012047 180037446 /nfs/dbraw/zinc/03/74/46/180037446.db2.gz XEALREUGTFDKEL-SCZZXKLOSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2CCCC[C@H]2O)cs1 ZINC000274806001 180037451 /nfs/dbraw/zinc/03/74/51/180037451.db2.gz SNRHEXLRHAPONY-HLUHBDAQSA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nc([C@@H](C)[S@@](=O)C2CCCCC2)n[nH]1 ZINC000334836296 180039857 /nfs/dbraw/zinc/03/98/57/180039857.db2.gz LYGRSXBNVOPOHH-VPTHRUTESA-N 0 1 241.360 2.256 20 0 BEADMN Cc1nc([C@H](C)S[C@H]2CCO[C@@H]2C)n[nH]1 ZINC000334039631 180053295 /nfs/dbraw/zinc/05/32/95/180053295.db2.gz NYLIBEPRSNOWPY-FJXKBIBVSA-N 0 1 227.333 2.085 20 0 BEADMN Cc1nc2cccc(C(=O)NC[C@@H]3C[C@@H]3C)c2[nH]1 ZINC000283509262 180061337 /nfs/dbraw/zinc/06/13/37/180061337.db2.gz PRFUTLYAJUZBKE-WPRPVWTQSA-N 0 1 243.310 2.257 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC[C@H](C)C2)[nH]1 ZINC000283464359 180062582 /nfs/dbraw/zinc/06/25/82/180062582.db2.gz LWMOLYYJSLUALJ-VIFPVBQESA-N 0 1 243.310 2.353 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304160777 350146550 /nfs/dbraw/zinc/14/65/50/350146550.db2.gz BNNFKKKJRCPUJM-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000304197051 350148953 /nfs/dbraw/zinc/14/89/53/350148953.db2.gz UWYIDVPESRCNAG-KOLCDFICSA-N 0 1 247.285 2.218 20 0 BEADMN C[C@@H]1C[C@H](NC(C)(C)C(F)F)CCO1 ZINC000306334799 490339606 /nfs/dbraw/zinc/33/96/06/490339606.db2.gz GDLRPZFUAJAKQY-HTQZYQBOSA-N 0 1 207.264 2.187 20 0 BEADMN Cc1nc2ccc(NC(=O)c3ccon3)cc2[nH]1 ZINC000352534344 180095510 /nfs/dbraw/zinc/09/55/10/180095510.db2.gz FPSXJBROMXAXGB-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1oncc1C(=O)[O-] ZINC000304629457 350158964 /nfs/dbraw/zinc/15/89/64/350158964.db2.gz QKQYEJPJHZJUGM-RKDXNWHRSA-N 0 1 238.287 2.136 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NCc1nc(C)no1 ZINC000133266012 191039103 /nfs/dbraw/zinc/03/91/03/191039103.db2.gz DPCVDHJXOMPDJG-ZJUUUORDSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1ccc(CN2CCCOCC2)cc1F ZINC000334269964 538063476 /nfs/dbraw/zinc/06/34/76/538063476.db2.gz RFUICTXSMJDNEO-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1Cc1ncnn1C ZINC000426995122 191051934 /nfs/dbraw/zinc/05/19/34/191051934.db2.gz MWMHJKQCEWJOPM-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1ncc(CN(C)C[C@H]2CCCCO2)s1 ZINC000052100862 180137136 /nfs/dbraw/zinc/13/71/36/180137136.db2.gz YJSUSJKANBEFGN-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncc(CN(C)C[C@H]2CC[C@@H](C)O2)s1 ZINC000248909875 180137556 /nfs/dbraw/zinc/13/75/56/180137556.db2.gz MQQWDPVZRYSSMV-MWLCHTKSSA-N 0 1 240.372 2.451 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)[nH]1 ZINC000354724588 180128421 /nfs/dbraw/zinc/12/84/21/180128421.db2.gz DMUFJLIZQPCIFH-BBBLOLIVSA-N 0 1 235.331 2.225 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cnn(C)c2)s1 ZINC000044500243 180154272 /nfs/dbraw/zinc/15/42/72/180154272.db2.gz WTXCTQHWKQHRNW-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN Cc1ncc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000307045607 180157355 /nfs/dbraw/zinc/15/73/55/180157355.db2.gz WEFULJZXZCXEIN-VHSXEESVSA-N 0 1 214.309 2.432 20 0 BEADMN CC[N@@H+](Cc1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000604768161 350185799 /nfs/dbraw/zinc/18/57/99/350185799.db2.gz YICXAEYPUDUMOY-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN CC[N@@H+](Cc1ccc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000604773065 350186582 /nfs/dbraw/zinc/18/65/82/350186582.db2.gz IPXXSYRPHDLWFR-QMMMGPOBSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1nccc(NC2(CO)CCC2)c1Cl ZINC000309005774 180198156 /nfs/dbraw/zinc/19/81/56/180198156.db2.gz NAHORGLDKJTQOO-UHFFFAOYSA-N 0 1 226.707 2.370 20 0 BEADMN Cc1nccc(NCCC[S@](C)=O)c1Cl ZINC000309011014 180198642 /nfs/dbraw/zinc/19/86/42/180198642.db2.gz PBCLJRYAJXKQBG-HNNXBMFYSA-N 0 1 246.763 2.224 20 0 BEADMN Cc1nccc(NC[C@@H](C)CO)c1Cl ZINC000306243907 180201321 /nfs/dbraw/zinc/20/13/21/180201321.db2.gz MVIGFWRRTMSBAC-SSDOTTSWSA-N 0 1 214.696 2.084 20 0 BEADMN Cc1nccc(NCc2ccnn2C)c1Cl ZINC000309360249 180202302 /nfs/dbraw/zinc/20/23/02/180202302.db2.gz NZIXMRJVTBLRTC-UHFFFAOYSA-N 0 1 236.706 2.389 20 0 BEADMN CCCCNS(=O)(=O)c1c(F)cccc1F ZINC000006656394 350209901 /nfs/dbraw/zinc/20/99/01/350209901.db2.gz FAOXPGHXFNABRY-UHFFFAOYSA-N 0 1 249.282 2.043 20 0 BEADMN Cc1nccc(N[C@H](CO)C(C)C)c1Cl ZINC000308853703 180204526 /nfs/dbraw/zinc/20/45/26/180204526.db2.gz NKIDWCPVRURNEZ-SNVBAGLBSA-N 0 1 228.723 2.472 20 0 BEADMN Cc1nccc(CN2CCS[C@H](C)[C@@H]2C)n1 ZINC000336435667 180186186 /nfs/dbraw/zinc/18/61/86/180186186.db2.gz ILJFGLTVYBQKJA-VHSXEESVSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1ncccc1CN(C)C[C@H]1CCCO1 ZINC000128104680 180218241 /nfs/dbraw/zinc/21/82/41/180218241.db2.gz FVNVHPDYDBHBCR-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ncccc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000310971529 180219468 /nfs/dbraw/zinc/21/94/68/180219468.db2.gz RHHJYPKGWMQXOJ-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CO[C@@H]1CN([C@H](C)c2cnc(C)cn2)CC[C@@H]1C ZINC000428495808 191080913 /nfs/dbraw/zinc/08/09/13/191080913.db2.gz OVHFDQJZPBCNSH-ZKYQVNSYSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@@H](C1CC1)N(C)CC(=O)OC(C)(C)C ZINC000073779869 350234595 /nfs/dbraw/zinc/23/45/95/350234595.db2.gz LXDGSNMHECZBJW-VIFPVBQESA-N 0 1 213.321 2.058 20 0 BEADMN Cc1nccnc1CCN[C@@H](C)c1nccs1 ZINC000294976220 180274044 /nfs/dbraw/zinc/27/40/44/180274044.db2.gz KHTNINIPDLZVBD-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN Cc1csc(CN[C@H]2CCSC2)n1 ZINC000038090812 350304484 /nfs/dbraw/zinc/30/44/84/350304484.db2.gz VAGZXBBAIILGIN-QMMMGPOBSA-N 0 1 214.359 2.047 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1CSC1(C)C ZINC000283191965 180283969 /nfs/dbraw/zinc/28/39/69/180283969.db2.gz KQOUCKBXWRPENL-UWVGGRQHSA-N 0 1 237.372 2.330 20 0 BEADMN Cc1ncsc1CN(C)CC1=CCCOC1 ZINC000179429232 180312717 /nfs/dbraw/zinc/31/27/17/180312717.db2.gz MZTYWBBMPIDTBW-UHFFFAOYSA-N 0 1 238.356 2.230 20 0 BEADMN C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCC(=O)[O-] ZINC000606540383 350357029 /nfs/dbraw/zinc/35/70/29/350357029.db2.gz LFXBTDMEWCKURJ-SECBINFHSA-N 0 1 237.274 2.220 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426520443 191096225 /nfs/dbraw/zinc/09/62/25/191096225.db2.gz FDFGVMHAVLYSQN-OLZOCXBDSA-N 0 1 248.374 2.371 20 0 BEADMN CC(C)[C@H](Nc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000261536632 535126781 /nfs/dbraw/zinc/12/67/81/535126781.db2.gz SFVCJWICWHCHPV-VIFPVBQESA-N 0 1 228.679 2.256 20 0 BEADMN CCc1nc(C[N@H+](C)[C@@H](C)CC(=O)[O-])cs1 ZINC000328460831 350398252 /nfs/dbraw/zinc/39/82/52/350398252.db2.gz JQOGRBDYEAGTFR-QMMMGPOBSA-N 0 1 242.344 2.001 20 0 BEADMN CCc1nc(C[N@@H+](C)[C@@H](C)CC(=O)[O-])cs1 ZINC000328460831 350398256 /nfs/dbraw/zinc/39/82/56/350398256.db2.gz JQOGRBDYEAGTFR-QMMMGPOBSA-N 0 1 242.344 2.001 20 0 BEADMN Cc1ncsc1CNCc1c(C)n[nH]c1C ZINC000070836687 180322221 /nfs/dbraw/zinc/32/22/21/180322221.db2.gz RLATWGRGBXFUGP-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN Cc1ncsc1CNCc1cccnc1 ZINC000070836478 180322776 /nfs/dbraw/zinc/32/27/76/180322776.db2.gz YBWJHEIYOAKTMR-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CCC1(O)CN(C[C@@H]2CCOc3ccccc32)C1 ZINC000162695952 350413611 /nfs/dbraw/zinc/41/36/11/350413611.db2.gz HRYLDQNADVQFMN-LBPRGKRZSA-N 0 1 247.338 2.009 20 0 BEADMN Fc1ccc(F)c(CNC2CSC2)c1 ZINC000075139634 490517334 /nfs/dbraw/zinc/51/73/34/490517334.db2.gz QGSPXEDGHCYDDA-UHFFFAOYSA-N 0 1 215.268 2.170 20 0 BEADMN CC[C@@H](c1ccccc1)N1CCOCC1 ZINC000032600012 350426788 /nfs/dbraw/zinc/42/67/88/350426788.db2.gz LSTVSNRAJKBTNW-ZDUSSCGKSA-N 0 1 205.301 2.470 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCC[C@H]1F ZINC000340524200 180382730 /nfs/dbraw/zinc/38/27/30/180382730.db2.gz CQXLHHSFPKUEAD-XXILOJSOSA-N 0 1 225.311 2.270 20 0 BEADMN Cc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)o1 ZINC000228171181 350531295 /nfs/dbraw/zinc/53/12/95/350531295.db2.gz MLIBUUFEJAEPOF-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN CC(C)(C)[C@H]1C[C@@H](NCc2cc[nH]n2)CS1 ZINC000309397260 323372441 /nfs/dbraw/zinc/37/24/41/323372441.db2.gz VQFJPWHTDPOBLO-GHMZBOCLSA-N 0 1 239.388 2.420 20 0 BEADMN CCCC[C@@H](CC)CC(=O)NCCN1CCC1 ZINC000337300839 350570280 /nfs/dbraw/zinc/57/02/80/350570280.db2.gz NYZKOYFJRFFJDC-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CCSCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000577510521 365974177 /nfs/dbraw/zinc/97/41/77/365974177.db2.gz YLZDWJNLLLPVSJ-VIFPVBQESA-N 0 1 231.361 2.067 20 0 BEADMN CCCC(C)(C)NC(=O)NCc1cc(C)[nH]n1 ZINC000606696286 350576997 /nfs/dbraw/zinc/57/69/97/350576997.db2.gz ZNUAENWNUDVXDH-UHFFFAOYSA-N 0 1 238.335 2.096 20 0 BEADMN CC[C@@H]1C(=O)NCCN1CCCC(C)(C)C ZINC000337189821 350561957 /nfs/dbraw/zinc/56/19/57/350561957.db2.gz RJYUDMQOJWRLQB-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN O[C@@H](CN1CCCC1)c1c(F)cccc1F ZINC000051086022 350603915 /nfs/dbraw/zinc/60/39/15/350603915.db2.gz DWQATXBYLBVOTB-NSHDSACASA-N 0 1 227.254 2.094 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000337453706 350587073 /nfs/dbraw/zinc/58/70/73/350587073.db2.gz IXTZIUTXGRZCDH-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CC=CC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001639732039 1172132207 /nfs/dbraw/zinc/13/22/07/1172132207.db2.gz CVBWDPSVHKLTTF-NSCUHMNNSA-N 0 1 246.245 2.125 20 0 BEADMN COc1ccncc1CN1C[C@H]2CCC[C@@H]21 ZINC000335643451 538097804 /nfs/dbraw/zinc/09/78/04/538097804.db2.gz NGAHDTRKHMFQKM-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN COc1ccncc1CN1C[C@@H]2CCC[C@H]21 ZINC000335643449 538097888 /nfs/dbraw/zinc/09/78/88/538097888.db2.gz NGAHDTRKHMFQKM-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN COC[C@@H](C)NCc1nc(C(C)C)cs1 ZINC000123457142 350663061 /nfs/dbraw/zinc/66/30/61/350663061.db2.gz SJYIEEGTFFZZGG-SECBINFHSA-N 0 1 228.361 2.391 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CC23CCCC3)c1C ZINC000577570255 365993852 /nfs/dbraw/zinc/99/38/52/365993852.db2.gz LEPGJKBKYJUPPZ-JTQLQIEISA-N 0 1 233.315 2.089 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@H]1C ZINC000339572834 350765085 /nfs/dbraw/zinc/76/50/85/350765085.db2.gz YIFQTINDVVWWTA-JHJVBQTASA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)CN(C)Cc1cn(-c2ccccc2)nn1 ZINC000338914990 350720176 /nfs/dbraw/zinc/72/01/76/350720176.db2.gz FEIKMJHLFMSPFG-UHFFFAOYSA-N 0 1 244.342 2.355 20 0 BEADMN c1[nH]nnc1CCOC[C@@H]1C[C@H]1c1ccccc1 ZINC000577593992 366009486 /nfs/dbraw/zinc/00/94/86/366009486.db2.gz UEXLERAJZUMLPK-JSGCOSHPSA-N 0 1 243.310 2.168 20 0 BEADMN CCc1ccc(CN2CC(C)(CO)C2)s1 ZINC000577596648 366012296 /nfs/dbraw/zinc/01/22/96/366012296.db2.gz UJFVFKVWQFLHQS-UHFFFAOYSA-N 0 1 225.357 2.125 20 0 BEADMN CCC1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000052279517 350942314 /nfs/dbraw/zinc/94/23/14/350942314.db2.gz MYAVQGQQEIEOEN-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@@H](C)c1noc(CN[C@H](C)C(C)(C)C)n1 ZINC000177682062 366018960 /nfs/dbraw/zinc/01/89/60/366018960.db2.gz VHBWDMIVLRTKDK-DTWKUNHWSA-N 0 1 241.335 2.301 20 0 BEADMN CC1(C)CN(Cc2ccccc2F)CC[C@H]1O ZINC000258604727 351066332 /nfs/dbraw/zinc/06/63/32/351066332.db2.gz AKTIDFYDAVDPGA-CYBMUJFWSA-N 0 1 237.318 2.419 20 0 BEADMN C/C=C\CNCc1cc2c(cc1OC)OCO2 ZINC000623740105 351050206 /nfs/dbraw/zinc/05/02/06/351050206.db2.gz MXFYMNBPADLOST-ARJAWSKDSA-N 0 1 235.283 2.090 20 0 BEADMN CC[C@@H]1CCC[C@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000398388076 351128325 /nfs/dbraw/zinc/12/83/25/351128325.db2.gz JMAXQJFXERURNL-MNOVXSKESA-N 0 1 222.336 2.111 20 0 BEADMN CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398413605 351141225 /nfs/dbraw/zinc/14/12/25/351141225.db2.gz ROALTWSCYWFCSV-QWRGUYRKSA-N 0 1 222.336 2.109 20 0 BEADMN CCN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000264389710 351235829 /nfs/dbraw/zinc/23/58/29/351235829.db2.gz QNOUZPDQBFQHMC-UHFFFAOYSA-N 0 1 245.326 2.278 20 0 BEADMN CCN(Cc1cc(OC)ccn1)C1CC1 ZINC000264416639 351236737 /nfs/dbraw/zinc/23/67/37/351236737.db2.gz KMFZNHMULWPKGI-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CC3(F)F)CC2)n1 ZINC000628325052 351245868 /nfs/dbraw/zinc/24/58/68/351245868.db2.gz WUIWFRBQJUBARB-UHFFFAOYSA-N 0 1 241.285 2.339 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)COCC2CC2)o1 ZINC000628325253 351251079 /nfs/dbraw/zinc/25/10/79/351251079.db2.gz FADHEUKOGNFUIT-SECBINFHSA-N 0 1 238.331 2.196 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CN1CCn2nncc2C1 ZINC000628326913 351262334 /nfs/dbraw/zinc/26/23/34/351262334.db2.gz AKFFKIUPVMGPAQ-OLZOCXBDSA-N 0 1 248.374 2.310 20 0 BEADMN CO[C@H](CNCc1cnc(C)o1)c1ccccc1 ZINC000398128013 363016252 /nfs/dbraw/zinc/01/62/52/363016252.db2.gz ZOYQXTXHAFHQCW-CQSZACIVSA-N 0 1 246.310 2.460 20 0 BEADMN CC[C@@H](COCC1CC1)NCc1cnc(C)o1 ZINC000628337756 351281031 /nfs/dbraw/zinc/28/10/31/351281031.db2.gz QDEJSPZCORPFOO-LBPRGKRZSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1ncc(CNC[C@H]2CCC[C@@H](C)O2)o1 ZINC000628339198 351283070 /nfs/dbraw/zinc/28/30/70/351283070.db2.gz IACFZULTKMHUGE-MWLCHTKSSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1c[nH]c(CN(C)C[C@H]2CC2(C)C)n1 ZINC000628353435 351318653 /nfs/dbraw/zinc/31/86/53/351318653.db2.gz WTTKTNOVDFWBAH-SNVBAGLBSA-N 0 1 207.321 2.196 20 0 BEADMN CC(C)C[N@@H+](Cc1cc(=O)c(O)co1)C(C)C ZINC000265535385 351270648 /nfs/dbraw/zinc/27/06/48/351270648.db2.gz VNPRSVTWDRMEFH-UHFFFAOYSA-N 0 1 239.315 2.212 20 0 BEADMN CC(=O)Nc1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901409 358464350 /nfs/dbraw/zinc/46/43/50/358464350.db2.gz SIPZRBCFAVXPLC-UHFFFAOYSA-N 0 1 244.298 2.289 20 0 BEADMN CC[C@@H](O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000272232542 351464673 /nfs/dbraw/zinc/46/46/73/351464673.db2.gz IACLISOZKSODKW-SECBINFHSA-N 0 1 247.260 2.307 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)CCCF)c1 ZINC000613283992 363051575 /nfs/dbraw/zinc/05/15/75/363051575.db2.gz HNABTZMPNAGAPJ-UHFFFAOYSA-N 0 1 239.246 2.283 20 0 BEADMN Clc1ncccc1CNC[C@H]1CCCO1 ZINC000083355049 180602209 /nfs/dbraw/zinc/60/22/09/180602209.db2.gz SMGUSNWBVVDBCT-SNVBAGLBSA-N 0 1 226.707 2.004 20 0 BEADMN C[C@H](NCCC(C)(C)O)c1ncccc1F ZINC000528824264 351585062 /nfs/dbraw/zinc/58/50/62/351585062.db2.gz ADMWYDUMMATTQZ-VIFPVBQESA-N 0 1 226.295 2.032 20 0 BEADMN CCN(Cc1cncc(F)c1)C[C@@H]1CCCO1 ZINC000275117176 351593741 /nfs/dbraw/zinc/59/37/41/351593741.db2.gz ICBAVZYEXBCGJF-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CNc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000637794704 351621165 /nfs/dbraw/zinc/62/11/65/351621165.db2.gz MIEWEZMKMJAWOG-NSHDSACASA-N 0 1 244.298 2.203 20 0 BEADMN CCN(CC)[C@H](c1nccn1C)C1CC1 ZINC000637827082 351674858 /nfs/dbraw/zinc/67/48/58/351674858.db2.gz AFYXPTOPYMFAJG-NSHDSACASA-N 0 1 207.321 2.213 20 0 BEADMN C[C@@H]1CN(Cc2cccc3ncccc23)CCO1 ZINC000637883808 351747926 /nfs/dbraw/zinc/74/79/26/351747926.db2.gz RMFZETOKPSNZSH-GFCCVEGCSA-N 0 1 242.322 2.456 20 0 BEADMN O=C(NC[C@@H]1CCCCC1(F)F)C(F)(F)F ZINC000307242807 351747991 /nfs/dbraw/zinc/74/79/91/351747991.db2.gz SGRDMNDMTBVTFE-LURJTMIESA-N 0 1 245.191 2.490 20 0 BEADMN C(=C/c1ccccc1)\CNCc1ncc[nH]1 ZINC000112710430 191140995 /nfs/dbraw/zinc/14/09/95/191140995.db2.gz AVJJKDFPIAKYIX-QPJJXVBHSA-N 0 1 213.284 2.213 20 0 BEADMN COc1ncc(CN2C3CCC2CC3)s1 ZINC000637884826 351754368 /nfs/dbraw/zinc/75/43/68/351754368.db2.gz GYASTTLTGXMCEE-UHFFFAOYSA-N 0 1 224.329 2.279 20 0 BEADMN C[C@H]1C[C@@H](NC#N)CC[N@H+]1Cc1ccccc1 ZINC000307247704 351755945 /nfs/dbraw/zinc/75/59/45/351755945.db2.gz AIXVLJHXGBHVHX-JSGCOSHPSA-N 0 1 229.327 2.110 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000031715482 351758798 /nfs/dbraw/zinc/75/87/98/351758798.db2.gz XTYCKZKSXCHFKC-SECBINFHSA-N 0 1 235.331 2.404 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)C[C@@H]1C ZINC000348091005 366082325 /nfs/dbraw/zinc/08/23/25/366082325.db2.gz ZGQSXZISIJTGJM-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN c1c[nH]c([C@@H]2CCCN(Cc3ccns3)C2)n1 ZINC000637954238 351830448 /nfs/dbraw/zinc/83/04/48/351830448.db2.gz UOBJGWCPRBDZDH-SNVBAGLBSA-N 0 1 248.355 2.246 20 0 BEADMN CCN(CC(C)C)C(=O)c1oc(CN)cc1C ZINC000637936219 351812122 /nfs/dbraw/zinc/81/21/22/351812122.db2.gz WVBMDIULTDLNHU-UHFFFAOYSA-N 0 1 238.331 2.165 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1[C@H](C)CC[C@H]1C ZINC000638044045 351923232 /nfs/dbraw/zinc/92/32/32/351923232.db2.gz KBZZCJOUEGGQMY-NXEZZACHSA-N 0 1 236.315 2.060 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCOC2)c(F)c1 ZINC000638028962 351909254 /nfs/dbraw/zinc/90/92/54/351909254.db2.gz KXFUYZDZBFIDND-LBPRGKRZSA-N 0 1 223.291 2.355 20 0 BEADMN COCCc1ncc(C[N@@H+](C)C2CCC2)s1 ZINC000638089291 351966366 /nfs/dbraw/zinc/96/63/66/351966366.db2.gz MRGXTZVHEMEGJA-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN COc1ncc(CN(C)C2CCC2)s1 ZINC000638090608 351968384 /nfs/dbraw/zinc/96/83/84/351968384.db2.gz ZURYKLMTDQWDQZ-UHFFFAOYSA-N 0 1 212.318 2.136 20 0 BEADMN CCC[C@H](CN1CCO[C@@H](CCC)C1)OC ZINC000638096870 351977286 /nfs/dbraw/zinc/97/72/86/351977286.db2.gz SHIJRNCEMSCYFD-OLZOCXBDSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ncc([C@H](C)N2CCCOC[C@@H]2C)c(C)n1 ZINC000638100618 351980339 /nfs/dbraw/zinc/98/03/39/351980339.db2.gz KLYWMWVWAXKGAH-JQWIXIFHSA-N 0 1 249.358 2.265 20 0 BEADMN CCN1C[C@@H](C)N(Cc2ccns2)C[C@@H]1C ZINC000638101813 351982326 /nfs/dbraw/zinc/98/23/26/351982326.db2.gz RBJNCENISLZLOJ-WDEREUQCSA-N 0 1 239.388 2.058 20 0 BEADMN CCN1C[C@@H](C)N(Cc2ccns2)C[C@H]1C ZINC000638101810 351982786 /nfs/dbraw/zinc/98/27/86/351982786.db2.gz RBJNCENISLZLOJ-GHMZBOCLSA-N 0 1 239.388 2.058 20 0 BEADMN CC1(C)CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000284307098 351995089 /nfs/dbraw/zinc/99/50/89/351995089.db2.gz JTIMIASODKRDTG-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN CCN(Cc1c[nH]nn1)Cc1ccccc1C ZINC000284415932 351997445 /nfs/dbraw/zinc/99/74/45/351997445.db2.gz XMRVFNSOKOKDNT-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000638200764 352061286 /nfs/dbraw/zinc/06/12/86/352061286.db2.gz SBAFYHNJSQQLFD-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[N@H+](Cc2cccs2)[C@H](C)C1 ZINC000286578809 352094576 /nfs/dbraw/zinc/09/45/76/352094576.db2.gz QCTWRLSBZKDAOT-LLVKDONJSA-N 0 1 224.373 2.274 20 0 BEADMN CCc1cc(CNC[C@@H](CC(C)C)OC)on1 ZINC000638273277 352110594 /nfs/dbraw/zinc/11/05/94/352110594.db2.gz GIFUPHBHSQHXOC-GFCCVEGCSA-N 0 1 240.347 2.388 20 0 BEADMN CCc1cc(CN[C@@H](C)[C@@H]2CC2(F)F)on1 ZINC000638273288 352110722 /nfs/dbraw/zinc/11/07/22/352110722.db2.gz GMWCLDRCZGUMNQ-XVKPBYJWSA-N 0 1 230.258 2.370 20 0 BEADMN CCc1cc(CN[C@@H](C)[C@H]2CC2(F)F)on1 ZINC000638273286 352111172 /nfs/dbraw/zinc/11/11/72/352111172.db2.gz GMWCLDRCZGUMNQ-OIBJUYFYSA-N 0 1 230.258 2.370 20 0 BEADMN COc1cc(CN2CC[C@@H]2C(C)C)sn1 ZINC000638277412 352112452 /nfs/dbraw/zinc/11/24/52/352112452.db2.gz YWXKQYWTWDVPDL-SNVBAGLBSA-N 0 1 226.345 2.382 20 0 BEADMN COc1cc(CN2CC[C@H]2C(C)C)sn1 ZINC000638277411 352112489 /nfs/dbraw/zinc/11/24/89/352112489.db2.gz YWXKQYWTWDVPDL-JTQLQIEISA-N 0 1 226.345 2.382 20 0 BEADMN COc1ncc(CN2CC[C@@H]2C(C)C)s1 ZINC000638276599 352114033 /nfs/dbraw/zinc/11/40/33/352114033.db2.gz SWIBATJLPBRVPQ-SNVBAGLBSA-N 0 1 226.345 2.382 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000287173840 352116188 /nfs/dbraw/zinc/11/61/88/352116188.db2.gz OITLNZGIKTVWQD-LLVKDONJSA-N 0 1 243.310 2.481 20 0 BEADMN CCN1CCN(C(=O)c2ccccc2C)[C@@H](C)C1 ZINC000288615414 352159348 /nfs/dbraw/zinc/15/93/48/352159348.db2.gz XKVQNBWDVWAULC-ZDUSSCGKSA-N 0 1 246.354 2.161 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@H](C)C(C)(C)C ZINC000638393694 352200174 /nfs/dbraw/zinc/20/01/74/352200174.db2.gz UAOLWKAVUPQUSJ-SECBINFHSA-N 0 1 238.331 2.211 20 0 BEADMN CCC[N@@H+](Cc1ccccc1)C[C@@](C)(O)C(C)=O ZINC000411129571 191161299 /nfs/dbraw/zinc/16/12/99/191161299.db2.gz TURXAIZYGBEHII-OAHLLOKOSA-N 0 1 249.354 2.239 20 0 BEADMN C[C@@]12COC[C@]1(C)CN(Cc1ccns1)C2 ZINC000630072424 363155024 /nfs/dbraw/zinc/15/50/24/363155024.db2.gz DXQHHCPPPFIFEW-TXEJJXNPSA-N 0 1 238.356 2.002 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1ccccc1F ZINC000292357285 352316771 /nfs/dbraw/zinc/31/67/71/352316771.db2.gz FICWMWKNXMUTPT-UHFFFAOYSA-N 0 1 234.278 2.279 20 0 BEADMN CCC(CC)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638489125 352298097 /nfs/dbraw/zinc/29/80/97/352298097.db2.gz IWYOZHAKTLGZJE-CYBMUJFWSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](NCCC1CCOCC1)c1csnn1 ZINC000398255423 363182661 /nfs/dbraw/zinc/18/26/61/363182661.db2.gz ZCACYHSOTTZDDM-SECBINFHSA-N 0 1 241.360 2.005 20 0 BEADMN Cc1nnc([C@@H](C)N(C)CC2CCCC2)[nH]1 ZINC000411211638 191169319 /nfs/dbraw/zinc/16/93/19/191169319.db2.gz OPKCHIWDTRMESU-SECBINFHSA-N 0 1 222.336 2.296 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NCC2CC=CC2)cc1 ZINC000638493914 352307529 /nfs/dbraw/zinc/30/75/29/352307529.db2.gz OVCOJXYFGILKEA-AWEZNQCLSA-N 0 1 244.338 2.077 20 0 BEADMN CC[C@@H]1CN(CCc2cncs2)C[C@@H](C)O1 ZINC000411266184 191173681 /nfs/dbraw/zinc/17/36/81/191173681.db2.gz XKKMOMVJJAOOQR-GHMZBOCLSA-N 0 1 240.372 2.185 20 0 BEADMN CC[C@@H]1CN(CCc2cncs2)C[C@H](C)O1 ZINC000411266195 191174475 /nfs/dbraw/zinc/17/44/75/191174475.db2.gz XKKMOMVJJAOOQR-WDEREUQCSA-N 0 1 240.372 2.185 20 0 BEADMN CN(Cc1cnccn1)[C@H]1C[C@@H]1c1ccccc1 ZINC000411313870 191178111 /nfs/dbraw/zinc/17/81/11/191178111.db2.gz YUAYVXIEAYJZAK-CABCVRRESA-N 0 1 239.322 2.465 20 0 BEADMN CCN(Cc1cccc(O)c1Cl)[C@H](C)CO ZINC000293878638 352363433 /nfs/dbraw/zinc/36/34/33/352363433.db2.gz JMQYFQGPSZUNJN-SECBINFHSA-N 0 1 243.734 2.248 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H](C(=O)[O-])C1 ZINC000383081270 352363841 /nfs/dbraw/zinc/36/38/41/352363841.db2.gz TULSQJGEICJNJA-WCBMZHEXSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000452867438 352375927 /nfs/dbraw/zinc/37/59/27/352375927.db2.gz OCCDUPQWYFAOOL-AEJSXWLSSA-N 0 1 248.317 2.019 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(NC)cc1)N(C)C ZINC000638560909 352386608 /nfs/dbraw/zinc/38/66/08/352386608.db2.gz PDKZUBIWYDWLFF-LBPRGKRZSA-N 0 1 235.331 2.007 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(NC)cc1 ZINC000638562386 352387186 /nfs/dbraw/zinc/38/71/86/352387186.db2.gz CWLFZIZVSATOSV-UHFFFAOYSA-N 0 1 235.331 2.009 20 0 BEADMN CCCN(CC[C@@H](C)F)[C@@H](C)C(=O)OCC ZINC000411650483 191204153 /nfs/dbraw/zinc/20/41/53/191204153.db2.gz RKFUPEZTOCLQOO-MNOVXSKESA-N 0 1 233.327 2.398 20 0 BEADMN OC1(CNCc2nc3ccccc3o2)CCCC1 ZINC000638611319 352450298 /nfs/dbraw/zinc/45/02/98/352450298.db2.gz XCVWEAHEQKMTKX-UHFFFAOYSA-N 0 1 246.310 2.223 20 0 BEADMN CCC[C@@](C)(CO)NCc1cc(C2CC2)no1 ZINC000638614415 352454338 /nfs/dbraw/zinc/45/43/38/352454338.db2.gz NCBHDGUYBMCHPF-ZDUSSCGKSA-N 0 1 238.331 2.193 20 0 BEADMN COC[C@H]1CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411781791 191210628 /nfs/dbraw/zinc/21/06/28/191210628.db2.gz JKNYFFLCMAIIRE-HZSPNIEDSA-N 0 1 235.302 2.402 20 0 BEADMN Cc1cnc(CNC2CC(n3cccn3)C2)s1 ZINC000638631202 352473962 /nfs/dbraw/zinc/47/39/62/352473962.db2.gz LKLPYHILBMFNFZ-UHFFFAOYSA-N 0 1 248.355 2.141 20 0 BEADMN O[C@H]1CCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000638713028 352553901 /nfs/dbraw/zinc/55/39/01/352553901.db2.gz SPSFSDWFGIEZJH-PWSUYJOCSA-N 0 1 246.310 2.078 20 0 BEADMN c1ccc2oc(CN[C@H]3CCSC3)nc2c1 ZINC000638715535 352557926 /nfs/dbraw/zinc/55/79/26/352557926.db2.gz UCNJENCUCNIUOF-VIFPVBQESA-N 0 1 234.324 2.423 20 0 BEADMN Cc1cnc([C@@H](C)NC[C@@H]2CCCO2)s1 ZINC000045206277 352587857 /nfs/dbraw/zinc/58/78/57/352587857.db2.gz FSBGDLXULYQOSY-ZJUUUORDSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1ccoc1-c1nc(C2(N)CCCC2)no1 ZINC000041152841 352607403 /nfs/dbraw/zinc/60/74/03/352607403.db2.gz VJUIHLQDSWBARI-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN Cc1cccc(-c2nc(C3(N)CCCC3)no2)n1 ZINC000041152856 352607513 /nfs/dbraw/zinc/60/75/13/352607513.db2.gz GKYPUEASRUBYMM-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CC[C@@H](NCc1cn[nH]c1)c1c(C)nn(C)c1C ZINC000608067159 352662712 /nfs/dbraw/zinc/66/27/12/352662712.db2.gz KRIWWQIZHSPHRQ-GFCCVEGCSA-N 0 1 247.346 2.001 20 0 BEADMN CO[C@@](C)([C@H](C)NCc1cc(C)on1)C1CC1 ZINC000411949708 191232092 /nfs/dbraw/zinc/23/20/92/191232092.db2.gz ONBGGPCPUAUHJX-GWCFXTLKSA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@@](C)([C@@H](C)NCc1cc(C)on1)C1CC1 ZINC000411949710 191232596 /nfs/dbraw/zinc/23/25/96/191232596.db2.gz ONBGGPCPUAUHJX-MFKMUULPSA-N 0 1 238.331 2.276 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1cc(C)on1)C1CC1 ZINC000411949711 191232643 /nfs/dbraw/zinc/23/26/43/191232643.db2.gz ONBGGPCPUAUHJX-ZWNOBZJWSA-N 0 1 238.331 2.276 20 0 BEADMN CC(C)C[C@@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000236642790 187801873 /nfs/dbraw/zinc/80/18/73/187801873.db2.gz QLUYLRNMBBQQKC-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN CO[C@](C)([C@H](C)NCc1cscn1)C1CC1 ZINC000411961229 191234645 /nfs/dbraw/zinc/23/46/45/191234645.db2.gz ZRBBNRPHBKORDQ-JOYOIKCWSA-N 0 1 240.372 2.436 20 0 BEADMN CCOC1CC(CNc2ccc3nn[nH]c3c2)C1 ZINC000638761672 352698501 /nfs/dbraw/zinc/69/85/01/352698501.db2.gz ICQLEQDNZYZHNS-UHFFFAOYSA-N 0 1 246.314 2.185 20 0 BEADMN CCOC1CC(CNc2ccc3n[nH]nc3c2)C1 ZINC000638761672 352698502 /nfs/dbraw/zinc/69/85/02/352698502.db2.gz ICQLEQDNZYZHNS-UHFFFAOYSA-N 0 1 246.314 2.185 20 0 BEADMN C[C@@H](Nc1ccc2nn[nH]c2c1)[C@H]1CC1(F)F ZINC000638762727 352700321 /nfs/dbraw/zinc/70/03/21/352700321.db2.gz YWJHIWPTNOHCHE-HTRCEHHLSA-N 0 1 238.241 2.414 20 0 BEADMN C[C@@H](Nc1ccc2n[nH]nc2c1)[C@H]1CC1(F)F ZINC000638762727 352700323 /nfs/dbraw/zinc/70/03/23/352700323.db2.gz YWJHIWPTNOHCHE-HTRCEHHLSA-N 0 1 238.241 2.414 20 0 BEADMN COC1([C@H](C)NCc2cc(C)no2)CCC1 ZINC000412022131 191238305 /nfs/dbraw/zinc/23/83/05/191238305.db2.gz QSRNEQUMTOXGSQ-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN COC1([C@H](C)NCc2cc(C)on2)CCC1 ZINC000412022578 191238419 /nfs/dbraw/zinc/23/84/19/191238419.db2.gz UTGGLNVHMXBEEQ-JTQLQIEISA-N 0 1 224.304 2.030 20 0 BEADMN COC1([C@@H](C)NCc2nc(C)cs2)CCC1 ZINC000412020574 191238696 /nfs/dbraw/zinc/23/86/96/191238696.db2.gz JEOZEOLYVODBJF-SNVBAGLBSA-N 0 1 240.372 2.499 20 0 BEADMN CCN(Cc1cnnn1CC)C1CC(C)(C)C1 ZINC000412030196 191241319 /nfs/dbraw/zinc/24/13/19/191241319.db2.gz DSQASMSEOYGHHN-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1cn(CC2CC2)nn1 ZINC000412032385 191241975 /nfs/dbraw/zinc/24/19/75/191241975.db2.gz BOUYDNGGAFNZST-NSHDSACASA-N 0 1 248.374 2.309 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 ZINC000638745506 352680677 /nfs/dbraw/zinc/68/06/77/352680677.db2.gz XWEVNRYQTYMTOX-UTUOFQBUSA-N 0 1 236.315 2.030 20 0 BEADMN CO[C@@](C)(CNCc1ncccc1F)C1CC1 ZINC000638780463 352731008 /nfs/dbraw/zinc/73/10/08/352731008.db2.gz QRDZBPPQZVUUOF-ZDUSSCGKSA-N 0 1 238.306 2.125 20 0 BEADMN Clc1cncnc1N[C@@H]1CCCc2cn[nH]c21 ZINC000344938417 538105225 /nfs/dbraw/zinc/10/52/25/538105225.db2.gz JPXSHLOGVSKHSI-SECBINFHSA-N 0 1 249.705 2.343 20 0 BEADMN Cc1cnc(CNCCCc2ccccn2)o1 ZINC000638787024 352741657 /nfs/dbraw/zinc/74/16/57/352741657.db2.gz YRWGUALGGBTMBE-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C3CC3)C2)nc1 ZINC000334174514 352758820 /nfs/dbraw/zinc/75/88/20/352758820.db2.gz CAWUPFMVTHIEKX-GFCCVEGCSA-N 0 1 217.316 2.017 20 0 BEADMN Cc1ccnc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC000334179321 352766117 /nfs/dbraw/zinc/76/61/17/352766117.db2.gz AIMWCZACIHXVQK-QWRGUYRKSA-N 0 1 219.332 2.263 20 0 BEADMN Cc1ccc(CN2CC[C@](F)(CO)C2)cc1C ZINC000334185373 352774001 /nfs/dbraw/zinc/77/40/01/352774001.db2.gz FAEPHBXTIZUSDU-CQSZACIVSA-N 0 1 237.318 2.210 20 0 BEADMN OC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000231419581 538105468 /nfs/dbraw/zinc/10/54/68/538105468.db2.gz AWVHTSDMEKBZJA-UHFFFAOYSA-N 0 1 230.311 2.125 20 0 BEADMN CO[C@@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000334188701 352778641 /nfs/dbraw/zinc/77/86/41/352778641.db2.gz HHHGMIMVUJXZAO-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000334188701 352778644 /nfs/dbraw/zinc/77/86/44/352778644.db2.gz HHHGMIMVUJXZAO-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)N1Cc2ccccc2[C@H]1C ZINC000334191381 352781978 /nfs/dbraw/zinc/78/19/78/352781978.db2.gz IJJLVPKYJLBRJF-GFCCVEGCSA-N 0 1 246.354 2.430 20 0 BEADMN CC1(C)OCC[C@H]1NCc1cc(F)ncc1F ZINC000294778933 187862307 /nfs/dbraw/zinc/86/23/07/187862307.db2.gz KVSYKSDRRXXKOE-SNVBAGLBSA-N 0 1 242.269 2.017 20 0 BEADMN Cc1nccc(CN2CCC(C)=C(C)C2)n1 ZINC000334210124 352807087 /nfs/dbraw/zinc/80/70/87/352807087.db2.gz DMXAIBLABGHNTI-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2(C)CCC2)C[C@H]1C ZINC000334236425 352854502 /nfs/dbraw/zinc/85/45/02/352854502.db2.gz LETWDPJWTDUHON-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H](CC)C2)n[nH]1 ZINC000031678333 352859380 /nfs/dbraw/zinc/85/93/80/352859380.db2.gz MHVYLFIFMYDOFW-SNVBAGLBSA-N 0 1 235.331 2.234 20 0 BEADMN C[C@@H](O)[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000412091228 191256377 /nfs/dbraw/zinc/25/63/77/191256377.db2.gz PUOOZZWBRBFPQA-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN Cc1cnc(CN2CCSCC[C@H]2C)n1C ZINC000342848797 352874471 /nfs/dbraw/zinc/87/44/71/352874471.db2.gz FNTZWXMVWFWACA-SNVBAGLBSA-N 0 1 239.388 2.056 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]2C(C)C)o1 ZINC000342862967 352880356 /nfs/dbraw/zinc/88/03/56/352880356.db2.gz UWQMMBIEVDTLOX-NSHDSACASA-N 0 1 237.299 2.297 20 0 BEADMN Cc1ncc(CN(C)[C@H]2CCCOC2)s1 ZINC000334336767 352972565 /nfs/dbraw/zinc/97/25/65/352972565.db2.gz TZBLSZMNLLWLOT-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN C[C@]1(F)CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334313919 352944308 /nfs/dbraw/zinc/94/43/08/352944308.db2.gz ZWCDFHIHUOBGFE-ZDUSSCGKSA-N 0 1 233.290 2.497 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](C)C2)o1 ZINC000334327547 352963980 /nfs/dbraw/zinc/96/39/80/352963980.db2.gz LXVRZDZENDRMNU-DTWKUNHWSA-N 0 1 209.293 2.035 20 0 BEADMN CC[C@@H](C)[C@@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000638844265 353020390 /nfs/dbraw/zinc/02/03/90/353020390.db2.gz DUTVCXNNDCGVPY-FVCCEPFGSA-N 0 1 229.364 2.157 20 0 BEADMN Cc1cc(CN)oc1C(=O)N[C@@H]1CCCC12CC2 ZINC000638834885 353021250 /nfs/dbraw/zinc/02/12/50/353021250.db2.gz SFQPQKGYFRKALI-LLVKDONJSA-N 0 1 248.326 2.109 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)[C@@H](C)C1CC1 ZINC000638853074 353024366 /nfs/dbraw/zinc/02/43/66/353024366.db2.gz JABDXBJOTHQIKA-FZMZJTMJSA-N 0 1 246.354 2.252 20 0 BEADMN COc1ccc(CN2CCC23CCC3)cn1 ZINC000334375462 353031439 /nfs/dbraw/zinc/03/14/39/353031439.db2.gz DMQSKWZGLAFBBT-UHFFFAOYSA-N 0 1 218.300 2.219 20 0 BEADMN C[C@H](O)C(C)(C)NCc1nc2ccccc2o1 ZINC000638818331 352998980 /nfs/dbraw/zinc/99/89/80/352998980.db2.gz NXWXJYVHHPKUAH-VIFPVBQESA-N 0 1 234.299 2.077 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1ccc2c(c1)CCC2 ZINC000334394386 353066938 /nfs/dbraw/zinc/06/69/38/353066938.db2.gz BMUFWPCAEWCERA-GJZGRUSLSA-N 0 1 249.329 2.080 20 0 BEADMN COc1cncc(CN2CC=CCC2)c1C ZINC000638914738 353073504 /nfs/dbraw/zinc/07/35/04/353073504.db2.gz VEVOIBJVQIBVLW-UHFFFAOYSA-N 0 1 218.300 2.161 20 0 BEADMN Cn1nccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000334381780 353048089 /nfs/dbraw/zinc/04/80/89/353048089.db2.gz JRFNVXVXPVVQCD-LBPRGKRZSA-N 0 1 219.332 2.041 20 0 BEADMN COC[C@H](C)CN[C@@H]1CCCC1(F)F ZINC000379570948 538107383 /nfs/dbraw/zinc/10/73/83/538107383.db2.gz HDKJLBFVYQFPSF-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1nnc(CN[C@H]2CCC2(C)C)s1 ZINC000307134526 353056544 /nfs/dbraw/zinc/05/65/44/353056544.db2.gz OMBANSXSZAXQSM-QMMMGPOBSA-N 0 1 211.334 2.125 20 0 BEADMN CC[C@@](C)(CN1CCC=C(F)C1)OC ZINC000638940409 353127892 /nfs/dbraw/zinc/12/78/92/353127892.db2.gz QUDKKOWBKOSUFU-NSHDSACASA-N 0 1 201.285 2.361 20 0 BEADMN O=S(=O)(CCC1CCCCC1)c1ncc[nH]1 ZINC000608098797 353135126 /nfs/dbraw/zinc/13/51/26/353135126.db2.gz ALTMEWYPIVJTAP-UHFFFAOYSA-N 0 1 242.344 2.154 20 0 BEADMN CC(=O)N1CCN([C@H]2/C=C/CCCCC2)CC1 ZINC000334475031 353119170 /nfs/dbraw/zinc/11/91/70/353119170.db2.gz LUXKEBXWSNHDRI-DYLGSBMWSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000334475374 353119466 /nfs/dbraw/zinc/11/94/66/353119466.db2.gz NWBRMPFVDPJPJA-NEPJUHHUSA-N 0 1 248.374 2.388 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cc2cnns2)C1 ZINC000334153703 188059009 /nfs/dbraw/zinc/05/90/09/188059009.db2.gz PEIUXLIGCPNZAY-SECBINFHSA-N 0 1 225.361 2.406 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358739275 188068561 /nfs/dbraw/zinc/06/85/61/188068561.db2.gz PKWYWHKRGAJUKQ-JHJVBQTASA-N 0 1 240.391 2.220 20 0 BEADMN c1nc2cnccn2c1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000367535603 188072579 /nfs/dbraw/zinc/07/25/79/188072579.db2.gz JRQIUPCTHBAEND-NWDGAFQWSA-N 0 1 240.310 2.022 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCC2(CC2)CC1 ZINC000368426533 188073005 /nfs/dbraw/zinc/07/30/05/188073005.db2.gz WLNJPNVRSCYYPY-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN c1ccc(CCCCN2CCO[C@@H]3C[C@@H]32)cc1 ZINC000377402899 188078983 /nfs/dbraw/zinc/07/89/83/188078983.db2.gz RQUVNQDSRDOYKS-LSDHHAIUSA-N 0 1 231.339 2.482 20 0 BEADMN Cc1nnc(CNCC2(C(C)C)CC2)s1 ZINC000638972374 353177669 /nfs/dbraw/zinc/17/76/69/353177669.db2.gz VJEVAZOSYROLME-UHFFFAOYSA-N 0 1 225.361 2.372 20 0 BEADMN Cc1cccc(Cc2nc([C@@H]3CCCN3)no2)c1 ZINC000071396446 188130835 /nfs/dbraw/zinc/13/08/35/188130835.db2.gz QENYGAYQQRTZNQ-LBPRGKRZSA-N 0 1 243.310 2.393 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1C ZINC000049669072 188153777 /nfs/dbraw/zinc/15/37/77/188153777.db2.gz NCTPVSWYZFWXKU-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CC(C)([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000163809432 188160088 /nfs/dbraw/zinc/16/00/88/188160088.db2.gz HSDGCSGSOFASHE-UHFFFAOYSA-N 0 1 215.300 2.435 20 0 BEADMN C[C@H](CC1CCC1)NC(=O)c1ccc(CN)o1 ZINC000638995731 353238156 /nfs/dbraw/zinc/23/81/56/353238156.db2.gz FLOHJHVEHRUWGI-SECBINFHSA-N 0 1 236.315 2.047 20 0 BEADMN CC(C)(O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000171928530 188162687 /nfs/dbraw/zinc/16/26/87/188162687.db2.gz NQNQXTHKFSIRPR-UHFFFAOYSA-N 0 1 244.338 2.297 20 0 BEADMN CC(C)(C)c1n[nH]c(SCc2ncccn2)n1 ZINC000190989870 188173335 /nfs/dbraw/zinc/17/33/35/188173335.db2.gz UVFDNNJOBABTLI-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1CCC(C)CC1 ZINC000257652713 188193389 /nfs/dbraw/zinc/19/33/89/188193389.db2.gz CCAYZBLTKDQHGD-CQSZACIVSA-N 0 1 246.354 2.253 20 0 BEADMN CC(C)N(Cc1cccs1)CC1OCCO1 ZINC000272096794 188199468 /nfs/dbraw/zinc/19/94/68/188199468.db2.gz MSWAZMSLVWFISW-UHFFFAOYSA-N 0 1 241.356 2.331 20 0 BEADMN FC(F)n1ccnc1CNC[C@H]1CCC=CO1 ZINC000189566157 180912626 /nfs/dbraw/zinc/91/26/26/180912626.db2.gz KXIRTTKJXKQLSF-SECBINFHSA-N 0 1 243.257 2.061 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H]2CCCC2(C)C)[nH]n1 ZINC000294294241 188213186 /nfs/dbraw/zinc/21/31/86/188213186.db2.gz WLOLBOPUNNRTRP-NSHDSACASA-N 0 1 249.358 2.203 20 0 BEADMN COc1ccc(CN(C(C)C)C2COC2)cc1 ZINC000295925461 188214493 /nfs/dbraw/zinc/21/44/93/188214493.db2.gz FHOFKXMSSHFQAA-UHFFFAOYSA-N 0 1 235.327 2.304 20 0 BEADMN CC1(C)C[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC000299496061 188216099 /nfs/dbraw/zinc/21/60/99/188216099.db2.gz LJSWGCGMXFZXFC-GFCCVEGCSA-N 0 1 243.310 2.020 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000330375662 188218834 /nfs/dbraw/zinc/21/88/34/188218834.db2.gz CXHUAGYHWCKONV-QJPTWQEYSA-N 0 1 242.363 2.293 20 0 BEADMN C=Cn1cc(C[N@H+](C)[C@@H](C)C(C)C)cn1 ZINC000278209942 188204332 /nfs/dbraw/zinc/20/43/32/188204332.db2.gz KDJMZYVTLNTHLT-NSHDSACASA-N 0 1 207.321 2.460 20 0 BEADMN CC(C)N(C)C(=O)c1sccc1CN(C)C ZINC000279302555 188204914 /nfs/dbraw/zinc/20/49/14/188204914.db2.gz CJTVCPUPQAPQAK-UHFFFAOYSA-N 0 1 240.372 2.290 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1ccoc1 ZINC000134550045 538113249 /nfs/dbraw/zinc/11/32/49/538113249.db2.gz OJZBTWNYQXDJFX-QMMMGPOBSA-N 0 1 205.261 2.162 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000289608340 188210644 /nfs/dbraw/zinc/21/06/44/188210644.db2.gz LBJJONHROZRAAV-NSHDSACASA-N 0 1 247.342 2.040 20 0 BEADMN CC(C)N(Cc1cncc(F)c1)[C@@H]1CCOC1 ZINC000291154466 188211702 /nfs/dbraw/zinc/21/17/02/188211702.db2.gz BRGRJXLDFRHZEJ-CYBMUJFWSA-N 0 1 238.306 2.220 20 0 BEADMN Cc1nnc([C@H](C)NCCC[C@H]2CCO2)s1 ZINC000639058678 353364735 /nfs/dbraw/zinc/36/47/35/353364735.db2.gz DJZUNGCACOGWMJ-WPRPVWTQSA-N 0 1 241.360 2.066 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)CN(CC)C1CC1 ZINC000343292629 353369154 /nfs/dbraw/zinc/36/91/54/353369154.db2.gz FSSSJCDCAGJERH-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@H]2C)nc1 ZINC000334508614 353385462 /nfs/dbraw/zinc/38/54/62/353385462.db2.gz URUFFBHVKFMKOR-MWLCHTKSSA-N 0 1 205.305 2.015 20 0 BEADMN CCOC[C@H](C)NCc1nc2ccccc2o1 ZINC000639074753 353397541 /nfs/dbraw/zinc/39/75/41/353397541.db2.gz UHYYZQOWJDAHEF-JTQLQIEISA-N 0 1 234.299 2.342 20 0 BEADMN C[C@H](CCNCc1ncnn1C)CC(C)(C)C ZINC000639089272 353448620 /nfs/dbraw/zinc/44/86/20/353448620.db2.gz FHCVRQNGCVURIH-LLVKDONJSA-N 0 1 238.379 2.367 20 0 BEADMN c1nc2c(s1)CN(CCC[C@H]1CCO1)CC2 ZINC000639086666 353428505 /nfs/dbraw/zinc/42/85/05/353428505.db2.gz YKMAJHFYOPWPKP-JTQLQIEISA-N 0 1 238.356 2.070 20 0 BEADMN Cc1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)nc1 ZINC000639096470 353486201 /nfs/dbraw/zinc/48/62/01/353486201.db2.gz FIVPKGGPQAGCNG-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc(=O)[nH]c2)nc1 ZINC000639096470 353486203 /nfs/dbraw/zinc/48/62/03/353486203.db2.gz FIVPKGGPQAGCNG-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CC[C@@](C)(O)CN[C@@H]1CCCc2scnc21 ZINC000623889718 353518576 /nfs/dbraw/zinc/51/85/76/353518576.db2.gz UQIPNDUDLORBOQ-BXKDBHETSA-N 0 1 240.372 2.271 20 0 BEADMN CC[C@](C)(O)CN[C@@H]1CCCc2scnc21 ZINC000623889721 353518626 /nfs/dbraw/zinc/51/86/26/353518626.db2.gz UQIPNDUDLORBOQ-SKDRFNHKSA-N 0 1 240.372 2.271 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)N[C@@H](C)c2nnc[nH]2)CC1 ZINC000335561925 535237137 /nfs/dbraw/zinc/23/71/37/535237137.db2.gz SEDSTWDSLBBRDD-QWRGUYRKSA-N 0 1 248.330 2.118 20 0 BEADMN CC1(C)CCCC[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000193512180 353590710 /nfs/dbraw/zinc/59/07/10/353590710.db2.gz BGTMLDOCSRCFTB-LBPRGKRZSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cc(CN2CCC23CCOCC3)sn1 ZINC000639108110 353652959 /nfs/dbraw/zinc/65/29/59/353652959.db2.gz VHORABRHVGUHCP-UHFFFAOYSA-N 0 1 238.356 2.206 20 0 BEADMN Cn1nccc1CN1CC(C2CCCC2)C1 ZINC000334517871 353635874 /nfs/dbraw/zinc/63/58/74/353635874.db2.gz KAOLLRORRRPTAD-UHFFFAOYSA-N 0 1 219.332 2.042 20 0 BEADMN CC(C)[C@H]1N(Cc2cnccn2)CC1(C)C ZINC000334517526 353639259 /nfs/dbraw/zinc/63/92/59/353639259.db2.gz HOZOSNSGRPXZOQ-GFCCVEGCSA-N 0 1 219.332 2.343 20 0 BEADMN CC(=O)c1cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)on1 ZINC000577861943 366090008 /nfs/dbraw/zinc/09/00/08/366090008.db2.gz RPAIOEKGNPFNNP-GUBZILKMSA-N 0 1 236.315 2.354 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000577862735 366090104 /nfs/dbraw/zinc/09/01/04/366090104.db2.gz HKLVEXZLXWLDAX-MNOVXSKESA-N 0 1 237.347 2.283 20 0 BEADMN CC[C@@H]1CCCN1CC(=O)c1cccn1C ZINC000037914439 358480159 /nfs/dbraw/zinc/48/01/59/358480159.db2.gz AXQDEMMQVFIEMT-LLVKDONJSA-N 0 1 220.316 2.082 20 0 BEADMN Fc1cccc(F)c1CN[C@@H]1CCCOC1 ZINC000071010949 181000375 /nfs/dbraw/zinc/00/03/75/181000375.db2.gz UDJCALJNZHIDLA-SECBINFHSA-N 0 1 227.254 2.233 20 0 BEADMN O=C([O-])C[N@@H+](CC1CCC1)C1CCCC1 ZINC000083839758 353719924 /nfs/dbraw/zinc/71/99/24/353719924.db2.gz HRKWLIDCIPZYQK-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN Fc1ccccc1CN1CC([C@@H]2CCOC2)C1 ZINC000365558584 181011842 /nfs/dbraw/zinc/01/18/42/181011842.db2.gz DTCUOUIXCKJAIU-GFCCVEGCSA-N 0 1 235.302 2.294 20 0 BEADMN COc1cncc(CN2[C@H](C)C[C@@H]2C)c1C ZINC000639119426 353756648 /nfs/dbraw/zinc/75/66/48/353756648.db2.gz BEWHYGYOUNIAPX-AOOOYVTPSA-N 0 1 220.316 2.381 20 0 BEADMN Fc1ccccc1CNc1ncnc2[nH]cnc21 ZINC000021009973 181013538 /nfs/dbraw/zinc/01/35/38/181013538.db2.gz ZDOQFEFKZILKMM-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1c2c(nn1C)CCCC2 ZINC000639121722 353771738 /nfs/dbraw/zinc/77/17/38/353771738.db2.gz VZBVDEQQIGYUCO-GHMZBOCLSA-N 0 1 233.359 2.282 20 0 BEADMN Fc1ccccc1CCNCc1cocn1 ZINC000187383596 181011369 /nfs/dbraw/zinc/01/13/69/181011369.db2.gz DNCSIHUFTPHWLK-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN c1coc(CN[C@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343400358 353877808 /nfs/dbraw/zinc/87/78/08/353877808.db2.gz ZQITXMVJEYUYSN-KBPBESRZSA-N 0 1 244.294 2.294 20 0 BEADMN CCC1CN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000334522960 353890901 /nfs/dbraw/zinc/89/09/01/353890901.db2.gz TXMXCIQWHSEWKD-UHFFFAOYSA-N 0 1 244.342 2.119 20 0 BEADMN Cc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cn1 ZINC000343447230 353891549 /nfs/dbraw/zinc/89/15/49/353891549.db2.gz SMSOTWHKYMAAMN-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CCCn1c(C)nnc1CN1CCC[C@@H]1CC ZINC000343451691 353892816 /nfs/dbraw/zinc/89/28/16/353892816.db2.gz QYOVVZDHZHSPRW-LBPRGKRZSA-N 0 1 236.363 2.371 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000334536516 353922758 /nfs/dbraw/zinc/92/27/58/353922758.db2.gz CBHZXHXJICJPBD-AOOOYVTPSA-N 0 1 243.310 2.494 20 0 BEADMN Cc1cnc([C@@H](C)N2CC=C(C)CC2)cn1 ZINC000334537419 353924241 /nfs/dbraw/zinc/92/42/41/353924241.db2.gz JEGDUHPRISQHSV-GFCCVEGCSA-N 0 1 217.316 2.498 20 0 BEADMN CCN(Cc1ccc(Cl)cc1)[C@@H](C)C(N)=O ZINC000343567353 353936583 /nfs/dbraw/zinc/93/65/83/353936583.db2.gz NFKNIUSRUXXOCP-VIFPVBQESA-N 0 1 240.734 2.036 20 0 BEADMN CNC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000343590168 353941963 /nfs/dbraw/zinc/94/19/63/353941963.db2.gz OCFBOXNVYMGBBO-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN CN(CC[C@H]1CCCO1)Cc1cncs1 ZINC000343478542 353903314 /nfs/dbraw/zinc/90/33/14/353903314.db2.gz XTXUMTSDLYWKFB-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@H](C)[C@@H](C)C1 ZINC000343736816 353968600 /nfs/dbraw/zinc/96/86/00/353968600.db2.gz HZZUWPUJEPGJKQ-QWRGUYRKSA-N 0 1 236.363 2.084 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@@H](C)[C@H](C)C1 ZINC000343736794 353968829 /nfs/dbraw/zinc/96/88/29/353968829.db2.gz HZZUWPUJEPGJKQ-GHMZBOCLSA-N 0 1 236.363 2.084 20 0 BEADMN c1ncc(CC[N@H+]2CCC23CCC3)s1 ZINC000334542300 353977065 /nfs/dbraw/zinc/97/70/65/353977065.db2.gz WAURINYFVIDGLY-UHFFFAOYSA-N 0 1 208.330 2.314 20 0 BEADMN CCCN(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC000343648097 353952519 /nfs/dbraw/zinc/95/25/19/353952519.db2.gz NBNAZPAPXOGONG-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN OC[C@H]1CSCC[N@H+]1C/C=C/c1ccccc1 ZINC000343727191 353960212 /nfs/dbraw/zinc/96/02/12/353960212.db2.gz HZACQPZDAPPTME-GBXSZLQWSA-N 0 1 249.379 2.110 20 0 BEADMN OC[C@H]1CSCCN1C/C=C/c1ccccc1 ZINC000343727191 353960214 /nfs/dbraw/zinc/96/02/14/353960214.db2.gz HZACQPZDAPPTME-GBXSZLQWSA-N 0 1 249.379 2.110 20 0 BEADMN CCc1nnc(SCCOC2CCC2)[nH]1 ZINC000343831127 354034312 /nfs/dbraw/zinc/03/43/12/354034312.db2.gz BSERYMBNEWJOMD-UHFFFAOYSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SCCOC2CCC2)n1 ZINC000343831127 354034315 /nfs/dbraw/zinc/03/43/15/354034315.db2.gz BSERYMBNEWJOMD-UHFFFAOYSA-N 0 1 227.333 2.028 20 0 BEADMN FC1(F)CC(NCc2ccc3c(n2)CCC3)C1 ZINC000334566527 354087981 /nfs/dbraw/zinc/08/79/81/354087981.db2.gz ZSCDMFHRVGRPFD-UHFFFAOYSA-N 0 1 238.281 2.458 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2csnn2)C1 ZINC000230406858 363307186 /nfs/dbraw/zinc/30/71/86/363307186.db2.gz PZTQPJDZTWVXCX-RKDXNWHRSA-N 0 1 211.334 2.064 20 0 BEADMN CC(C)c1nc(CN2CCC3(CCC3)C2)n[nH]1 ZINC000334569127 354093960 /nfs/dbraw/zinc/09/39/60/354093960.db2.gz DUEFDKAJWAOQOQ-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN CCOC(=O)[C@@H](C)N1C[C@H](C)CC(C)(C)C1 ZINC000344039088 354101482 /nfs/dbraw/zinc/10/14/82/354101482.db2.gz SXLLYMWJHNCHFC-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CCN(CC(=O)N1C[C@@H](C)CC1(C)C)C1CC1 ZINC000344010109 354115587 /nfs/dbraw/zinc/11/55/87/354115587.db2.gz FHUWUZPGAIIGGG-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H]1CN([C@@H](C)c2n[nH]c(C)n2)CCS1 ZINC000334561750 354116469 /nfs/dbraw/zinc/11/64/69/354116469.db2.gz FAKRYPYEWZUXOZ-WPRPVWTQSA-N 0 1 240.376 2.002 20 0 BEADMN O[C@H]([C@H]1CCN(Cc2ccco2)C1)C(F)(F)F ZINC000449668973 202001299 /nfs/dbraw/zinc/00/12/99/202001299.db2.gz HKWQMEWRZYELAZ-WCBMZHEXSA-N 0 1 249.232 2.025 20 0 BEADMN CCC[C@@H](C)CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000344253580 354190719 /nfs/dbraw/zinc/19/07/19/354190719.db2.gz RWIQUJJWPBWJDT-GHMZBOCLSA-N 0 1 249.358 2.210 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334580998 354198909 /nfs/dbraw/zinc/19/89/09/354198909.db2.gz UMQMVVOCCVFDID-AOOOYVTPSA-N 0 1 236.363 2.475 20 0 BEADMN CC(C)[C@@H]1CN(Cc2cnccn2)CCS1 ZINC000334581692 354200417 /nfs/dbraw/zinc/20/04/17/354200417.db2.gz MXVMTKTZARMFQU-LBPRGKRZSA-N 0 1 237.372 2.050 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CCC(C)C)[C@@H](C)C1 ZINC000344414139 354252051 /nfs/dbraw/zinc/25/20/51/354252051.db2.gz DAMVGLKBPVCCOJ-STQMWFEESA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(CN(C)[C@@H](CO)CC(C)C)sn1 ZINC000639178409 354253705 /nfs/dbraw/zinc/25/37/05/354253705.db2.gz LHOCSRIPJMASLJ-LLVKDONJSA-N 0 1 242.388 2.290 20 0 BEADMN CCCCC(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344451164 354261305 /nfs/dbraw/zinc/26/13/05/354261305.db2.gz MJAVATRVBRMEDP-TXEJJXNPSA-N 0 1 226.364 2.118 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623181178 354264017 /nfs/dbraw/zinc/26/40/17/354264017.db2.gz QFWUZFFIPFIPBR-CMPLNLGQSA-N 0 1 249.358 2.334 20 0 BEADMN CCC[N@@H+](C)CC(=O)NCC1(CCC)CCC1 ZINC000344329851 354226343 /nfs/dbraw/zinc/22/63/43/354226343.db2.gz XXQFDKVTGLFEDH-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN Cc1cc(CN2CCSC(C)(C)C2)n(C)n1 ZINC000334610944 354293458 /nfs/dbraw/zinc/29/34/58/354293458.db2.gz KSXMOUXIJASYFG-UHFFFAOYSA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@H](NCc1cnn(C)c1)c1ccncc1 ZINC000344558806 354295873 /nfs/dbraw/zinc/29/58/73/354295873.db2.gz YWGISTJDZTVPDD-ZDUSSCGKSA-N 0 1 230.315 2.056 20 0 BEADMN CCc1cc(C(=O)N(C)C[C@H]2CC=CCC2)n[nH]1 ZINC000344581036 354310236 /nfs/dbraw/zinc/31/02/36/354310236.db2.gz TUWFSTGVWKZVCL-NSHDSACASA-N 0 1 247.342 2.400 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000344436783 354272562 /nfs/dbraw/zinc/27/25/62/354272562.db2.gz WLFVXCZADNDJHD-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1COCCN1C[C@H]1CCC(F)(F)C1 ZINC000334620262 354356837 /nfs/dbraw/zinc/35/68/37/354356837.db2.gz PDWBAFQSGDKELS-ZJUUUORDSA-N 0 1 219.275 2.143 20 0 BEADMN CCc1ncc(CN2CC(C)=C[C@@H](C)C2)cn1 ZINC000334609005 354316339 /nfs/dbraw/zinc/31/63/39/354316339.db2.gz IGYLHBCSEHMALH-LLVKDONJSA-N 0 1 231.343 2.437 20 0 BEADMN Cc1ccc(CN2CC(C3CCC3)C2)nn1 ZINC000334610086 354317894 /nfs/dbraw/zinc/31/78/94/354317894.db2.gz QVLCETTUVLGDFG-UHFFFAOYSA-N 0 1 217.316 2.017 20 0 BEADMN CCOC1CN(CC2Cc3ccccc3C2)C1 ZINC000577989301 366161259 /nfs/dbraw/zinc/16/12/59/366161259.db2.gz IJEFEIZRLOXBDF-UHFFFAOYSA-N 0 1 231.339 2.122 20 0 BEADMN FC1(F)CC[C@H](CN2CCOCC23CC3)C1 ZINC000334624474 354364300 /nfs/dbraw/zinc/36/43/00/354364300.db2.gz UFGHARFILLTBFX-JTQLQIEISA-N 0 1 231.286 2.287 20 0 BEADMN CC1(CO)CN(Cc2ccc3ncccc3c2)C1 ZINC000334643958 354401432 /nfs/dbraw/zinc/40/14/32/354401432.db2.gz AFHOTDGLDNLXFP-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN c1cc(CN2CC3(C2)CCCC3)ccn1 ZINC000334644588 354402739 /nfs/dbraw/zinc/40/27/39/354402739.db2.gz FDBWTGVUWJBACG-UHFFFAOYSA-N 0 1 202.301 2.458 20 0 BEADMN C[C@@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000334677130 354421116 /nfs/dbraw/zinc/42/11/16/354421116.db2.gz QBBLUPUSTAWTJS-SNVBAGLBSA-N 0 1 236.363 2.334 20 0 BEADMN Cc1nccc(CN2CCSC[C@@H]2C2CC2)n1 ZINC000334679819 354425827 /nfs/dbraw/zinc/42/58/27/354425827.db2.gz ULMJVJXXANSLDD-CYBMUJFWSA-N 0 1 249.383 2.112 20 0 BEADMN Cc1nc(CSc2ncccc2Cl)n[nH]1 ZINC000334657406 354452629 /nfs/dbraw/zinc/45/26/29/354452629.db2.gz SULYXNCWIPQLGK-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)[C@@H]1CC1(F)F ZINC000334748541 354472965 /nfs/dbraw/zinc/47/29/65/354472965.db2.gz RZITZKSZCAICBI-BYPYZUCNSA-N 0 1 249.163 2.264 20 0 BEADMN CCc1nnc(CN2[C@H](C)CCC2(C)C)[nH]1 ZINC000334691894 354481438 /nfs/dbraw/zinc/48/14/38/354481438.db2.gz HSUTYOKLJGYWNW-SECBINFHSA-N 0 1 222.336 2.130 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000334742523 354545727 /nfs/dbraw/zinc/54/57/27/354545727.db2.gz QEAVGBPQMMCFSM-BDAKNGLRSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000334742524 354545742 /nfs/dbraw/zinc/54/57/42/354545742.db2.gz QEAVGBPQMMCFSM-DTWKUNHWSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)n[nH]1 ZINC000334742820 354545883 /nfs/dbraw/zinc/54/58/83/354545883.db2.gz IAPKYJGJSNFGAH-YPMHNXCESA-N 0 1 249.358 2.471 20 0 BEADMN C[C@H]1CCN(Cc2cn3ccsc3n2)C1 ZINC000335929656 134009747 /nfs/dbraw/zinc/00/97/47/134009747.db2.gz HLFNKLJCAYFQGQ-VIFPVBQESA-N 0 1 221.329 2.238 20 0 BEADMN CC(C)(NC(=O)c1[nH]nc2c1CCC2)C1CCC1 ZINC000334737038 354538448 /nfs/dbraw/zinc/53/84/48/354538448.db2.gz SGJKGRNNEJMMMG-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN CO[C@@H]1CCN(Cc2ncc(C)s2)C[C@H]1C ZINC000334738255 354540726 /nfs/dbraw/zinc/54/07/26/354540726.db2.gz HZXRTIZZNMQOCA-MWLCHTKSSA-N 0 1 240.372 2.308 20 0 BEADMN CO[C@@H]1CCN(Cc2ncc(C)s2)C[C@@H]1C ZINC000334738236 354540884 /nfs/dbraw/zinc/54/08/84/354540884.db2.gz HZXRTIZZNMQOCA-GXSJLCMTSA-N 0 1 240.372 2.308 20 0 BEADMN C[C@@H]1CCN(Cc2cn3ccsc3n2)C1 ZINC000335929655 134010000 /nfs/dbraw/zinc/01/00/00/134010000.db2.gz HLFNKLJCAYFQGQ-SECBINFHSA-N 0 1 221.329 2.238 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000334738365 354541130 /nfs/dbraw/zinc/54/11/30/354541130.db2.gz JWQPVGHKFKWOEK-GXFFZTMASA-N 0 1 223.316 2.445 20 0 BEADMN c1coc([C@H]2N(Cc3c[nH]nn3)CC23CCC3)c1 ZINC000334695517 354486785 /nfs/dbraw/zinc/48/67/85/354486785.db2.gz BCZKCGHXBWUUOV-GFCCVEGCSA-N 0 1 244.298 2.125 20 0 BEADMN CCN(C)C(=O)CN1CCc2ccccc2[C@H]1C ZINC000334722888 354522868 /nfs/dbraw/zinc/52/28/68/354522868.db2.gz VXMCXFDKBOIDAD-GFCCVEGCSA-N 0 1 246.354 2.084 20 0 BEADMN CC1(C)COC[C@H]1NCc1nc2ccccc2o1 ZINC000334806996 354563338 /nfs/dbraw/zinc/56/33/38/354563338.db2.gz HYAQEDJFGOTVCS-GFCCVEGCSA-N 0 1 246.310 2.342 20 0 BEADMN CCN(C(=O)c1cc(C)[nH]n1)C1CC(C)(C)C1 ZINC000334815271 354572817 /nfs/dbraw/zinc/57/28/17/354572817.db2.gz RYTIECBHBGQBLL-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)C2(C)CCC2)CC1 ZINC000334765587 354586963 /nfs/dbraw/zinc/58/69/63/354586963.db2.gz IDIMJUUKGPRHLM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C)CC(F)(F)F)c1C ZINC000362057750 491065340 /nfs/dbraw/zinc/06/53/40/491065340.db2.gz ORXTXFFIEIMNRN-YFKPBYRVSA-N 0 1 249.236 2.097 20 0 BEADMN CCn1nncc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000334795022 354548177 /nfs/dbraw/zinc/54/81/77/354548177.db2.gz LHLYMAQYXCUGSI-GXTWGEPZSA-N 0 1 248.374 2.453 20 0 BEADMN Fc1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000334795775 354549449 /nfs/dbraw/zinc/54/94/49/354549449.db2.gz HJPPDOBUCKVULU-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN CC(C)(C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000335091068 354627040 /nfs/dbraw/zinc/62/70/40/354627040.db2.gz CXRLYAIXLKTGSF-UHFFFAOYSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@H](NCc1ccns1)c1cc[nH]c(=O)c1 ZINC000639205559 354657912 /nfs/dbraw/zinc/65/79/12/354657912.db2.gz KRRNIOFBTOGSEI-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN CCC1CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000335119853 354725158 /nfs/dbraw/zinc/72/51/58/354725158.db2.gz ICQRLEKDEXESLZ-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN CCc1nocc1CN(C)C[C@@](C)(CC)OC ZINC000639208889 354728370 /nfs/dbraw/zinc/72/83/70/354728370.db2.gz GTDVQHMCGYVGAE-CYBMUJFWSA-N 0 1 240.347 2.484 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000345605781 354728700 /nfs/dbraw/zinc/72/87/00/354728700.db2.gz SZWYMGDPHOCRPI-ZYHUDNBSSA-N 0 1 249.358 2.203 20 0 BEADMN Cn1ncnc1CNC[C@@H]1C[C@H]1C1CCCCC1 ZINC000639210550 354752658 /nfs/dbraw/zinc/75/26/58/354752658.db2.gz MFTCEUPHZWVALO-STQMWFEESA-N 0 1 248.374 2.121 20 0 BEADMN O=C(NCC1CCCC1)c1ccc2cncn2c1 ZINC000335126637 354771169 /nfs/dbraw/zinc/77/11/69/354771169.db2.gz NUCUJNOMEKLHJF-UHFFFAOYSA-N 0 1 243.310 2.254 20 0 BEADMN C[C@H]1c2ccccc2CN1C(=O)c1cnc[nH]1 ZINC000335126964 354771937 /nfs/dbraw/zinc/77/19/37/354771937.db2.gz BKPKEBSRHPSYAC-VIFPVBQESA-N 0 1 227.267 2.127 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCCC(C)C ZINC000166037289 358489202 /nfs/dbraw/zinc/48/92/02/358489202.db2.gz JLILWLBMUPUVBO-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)[C@@H]1CN(Cc2ccns2)CCCO1 ZINC000639213222 354780959 /nfs/dbraw/zinc/78/09/59/354780959.db2.gz LDTBIMQPXICTDD-LBPRGKRZSA-N 0 1 240.372 2.390 20 0 BEADMN CC(C)[C@H]1CN(Cc2ccns2)CCCO1 ZINC000639213090 354781222 /nfs/dbraw/zinc/78/12/22/354781222.db2.gz LDTBIMQPXICTDD-GFCCVEGCSA-N 0 1 240.372 2.390 20 0 BEADMN CCOC1CC(CN[C@@H](CC)C(F)F)C1 ZINC000639215323 354816740 /nfs/dbraw/zinc/81/67/40/354816740.db2.gz ZEABXQPHRHVCKF-RTBKNWGFSA-N 0 1 221.291 2.435 20 0 BEADMN CCC(=O)CCCN1C[C@@H](C)OC(C)(C)C1 ZINC000232865029 363387209 /nfs/dbraw/zinc/38/72/09/363387209.db2.gz QXJREONFVQHICI-LLVKDONJSA-N 0 1 227.348 2.245 20 0 BEADMN CCCCC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000232989383 363391104 /nfs/dbraw/zinc/39/11/04/363391104.db2.gz LNNTUIDFVGGQNQ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000233035459 363391467 /nfs/dbraw/zinc/39/14/67/363391467.db2.gz UYIVDOOJDLURAH-UHFFFAOYSA-N 0 1 225.263 2.366 20 0 BEADMN CC[C@H](N[C@H](C)C[C@@H]1CCCC(=O)N1)C(F)F ZINC000639214431 354794476 /nfs/dbraw/zinc/79/44/76/354794476.db2.gz PNLRGKYXUAZEIL-UTLUCORTSA-N 0 1 248.317 2.067 20 0 BEADMN CC(C)c1nnc(CN[C@@H](C)[C@H]2CC2(F)F)[nH]1 ZINC000639220843 354885239 /nfs/dbraw/zinc/88/52/39/354885239.db2.gz ZARPWLFPNWFNNM-JGVFFNPUSA-N 0 1 244.289 2.061 20 0 BEADMN Cn1ccnc1[C@@H](C1CC1)N1CC[C@@H]1C1CC1 ZINC000639221553 354892203 /nfs/dbraw/zinc/89/22/03/354892203.db2.gz CNXNEHLHZWYBPW-CHWSQXEVSA-N 0 1 231.343 2.356 20 0 BEADMN Cn1nc2c(c1CN1CC[C@H]1C1CC1)CCCC2 ZINC000639222951 354923115 /nfs/dbraw/zinc/92/31/15/354923115.db2.gz PNRPSYAXPLVQRF-AWEZNQCLSA-N 0 1 245.370 2.283 20 0 BEADMN Cc1cn[nH]c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000335172671 354938345 /nfs/dbraw/zinc/93/83/45/354938345.db2.gz BHNOTIYBXDRRMJ-JQWIXIFHSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1c(Cl)c(CN[C@@H]2CC[C@H](F)C2)nn1C ZINC000335177882 354948229 /nfs/dbraw/zinc/94/82/29/354948229.db2.gz PFKIDUFNWSCBGE-DTWKUNHWSA-N 0 1 245.729 2.362 20 0 BEADMN Cc1c(Cl)c(CN[C@H]2CC[C@@H](F)C2)nn1C ZINC000335177876 354948560 /nfs/dbraw/zinc/94/85/60/354948560.db2.gz PFKIDUFNWSCBGE-BDAKNGLRSA-N 0 1 245.729 2.362 20 0 BEADMN CCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623201477 354952908 /nfs/dbraw/zinc/95/29/08/354952908.db2.gz PKRFOOOEQUFHBD-SKDRFNHKSA-N 0 1 247.342 2.087 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000346526461 354976638 /nfs/dbraw/zinc/97/66/38/354976638.db2.gz MKRGNJYDWQIWPC-OLZOCXBDSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000335200078 355033454 /nfs/dbraw/zinc/03/34/54/355033454.db2.gz FIKVSPCRNCMSKS-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN CO[C@H](CNCc1ccn(C(F)F)n1)C(C)C ZINC000346676930 355009936 /nfs/dbraw/zinc/00/99/36/355009936.db2.gz ZINMHMGDPWMKQK-SNVBAGLBSA-N 0 1 247.289 2.039 20 0 BEADMN Cc1cc(CNC2(CF)CCOCC2)sn1 ZINC000639225630 355018976 /nfs/dbraw/zinc/01/89/76/355018976.db2.gz PFMXHBKTRRQBHP-UHFFFAOYSA-N 0 1 244.335 2.060 20 0 BEADMN C[C@@H]1CC(C)(C)CN1Cc1n[nH]c(C2CC2)n1 ZINC000335188727 355019730 /nfs/dbraw/zinc/01/97/30/355019730.db2.gz IPVHHKJWHPZWED-SECBINFHSA-N 0 1 234.347 2.303 20 0 BEADMN C([C@@H]1CCCCO1)N1CCO[C@@H](C2CCC2)C1 ZINC000335188797 355020411 /nfs/dbraw/zinc/02/04/11/355020411.db2.gz AAPOXCUOHBQCRZ-UONOGXRCSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1nnc([C@@H](C)N2CC(C)(C)C[C@H]2C)[nH]1 ZINC000335191526 355024427 /nfs/dbraw/zinc/02/44/27/355024427.db2.gz QSSGSPPYNNFSHL-RKDXNWHRSA-N 0 1 222.336 2.295 20 0 BEADMN C(=C/c1ccncc1)\C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000335230070 355072353 /nfs/dbraw/zinc/07/23/53/355072353.db2.gz BQLPVZNGXKEIJL-ZHAXYTGKSA-N 0 1 244.338 2.348 20 0 BEADMN C(=C/c1ccncc1)\CN1CCO[C@H]2CCC[C@H]21 ZINC000335230070 355072357 /nfs/dbraw/zinc/07/23/57/355072357.db2.gz BQLPVZNGXKEIJL-ZHAXYTGKSA-N 0 1 244.338 2.348 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCC1(O)CCC1 ZINC000335183375 355081872 /nfs/dbraw/zinc/08/18/72/355081872.db2.gz CARIKGCRBLGNCG-GFCCVEGCSA-N 0 1 234.343 2.170 20 0 BEADMN COc1ncccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000335218560 355057254 /nfs/dbraw/zinc/05/72/54/355057254.db2.gz QXMUSIRPGDHPDC-YPMHNXCESA-N 0 1 232.327 2.465 20 0 BEADMN CCN(Cc1occc1C)C(=O)c1cc(C)[nH]n1 ZINC000412787151 191316378 /nfs/dbraw/zinc/31/63/78/191316378.db2.gz CYVGWIFMZLBUAB-UHFFFAOYSA-N 0 1 247.298 2.282 20 0 BEADMN Cc1nc([C@@H](C)N2Cc3ccc(C)cc3C2)n[nH]1 ZINC000335223123 355064164 /nfs/dbraw/zinc/06/41/64/355064164.db2.gz NOZWNNVXHVHLLJ-SNVBAGLBSA-N 0 1 242.326 2.498 20 0 BEADMN Cc1ncccc1CNCc1cccc(O)c1 ZINC000383697331 355101051 /nfs/dbraw/zinc/10/10/51/355101051.db2.gz GMNMXZCMLQHPJP-UHFFFAOYSA-N 0 1 228.295 2.385 20 0 BEADMN C[C@H](c1nncn1C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000346954756 355167165 /nfs/dbraw/zinc/16/71/65/355167165.db2.gz YNWOQVMYRGTTLH-YRGRVCCFSA-N 0 1 248.374 2.388 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1CCOC1CCC1 ZINC000346838463 355132261 /nfs/dbraw/zinc/13/22/61/355132261.db2.gz PDRBMQQYXKTKKX-NWDGAFQWSA-N 0 1 227.348 2.055 20 0 BEADMN CCO[C@H]1CCN(Cc2ccns2)C[C@@H]1C ZINC000639230262 355150594 /nfs/dbraw/zinc/15/05/94/355150594.db2.gz KRDBBAWATXNUQL-JQWIXIFHSA-N 0 1 240.372 2.390 20 0 BEADMN CCC[C@@H](N[C@@H](C)C(=O)NCC)c1ccccn1 ZINC000346978784 355213123 /nfs/dbraw/zinc/21/31/23/355213123.db2.gz CSSZJZCLEWHLPC-WCQYABFASA-N 0 1 249.358 2.037 20 0 BEADMN CCCN(C)CC(=O)Nc1c(F)cccc1F ZINC000346982976 355184646 /nfs/dbraw/zinc/18/46/46/355184646.db2.gz YQDPCQWPQVNAHV-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN c1nc2c(s1)CN(CC[C@H]1CCCO1)CC2 ZINC000346999728 355196692 /nfs/dbraw/zinc/19/66/92/355196692.db2.gz YYOVYSZJUKIZLZ-SNVBAGLBSA-N 0 1 238.356 2.070 20 0 BEADMN CCC[C@H](O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000412988661 191330431 /nfs/dbraw/zinc/33/04/31/191330431.db2.gz LSLJKUHHXPOTQP-QMMMGPOBSA-N 0 1 243.376 2.355 20 0 BEADMN CCC[C@H](O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000412988661 191330433 /nfs/dbraw/zinc/33/04/33/191330433.db2.gz LSLJKUHHXPOTQP-QMMMGPOBSA-N 0 1 243.376 2.355 20 0 BEADMN c1cc(CN2CCC[C@@]3(CCOC3)C2)sn1 ZINC000639237315 355219814 /nfs/dbraw/zinc/21/98/14/355219814.db2.gz CFFLILVJTCAZCN-GFCCVEGCSA-N 0 1 238.356 2.146 20 0 BEADMN COc1cccnc1CN[C@H](C)[C@H]1CC1(F)F ZINC000639240735 355225425 /nfs/dbraw/zinc/22/54/25/355225425.db2.gz XRMRIZCDPMMLFN-RKDXNWHRSA-N 0 1 242.269 2.224 20 0 BEADMN Cc1ccncc1CCCN1CCOC(C)(C)C1 ZINC000347608653 355234126 /nfs/dbraw/zinc/23/41/26/355234126.db2.gz JIZAMGIIYABTIW-UHFFFAOYSA-N 0 1 248.370 2.433 20 0 BEADMN COC(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000113517903 355236914 /nfs/dbraw/zinc/23/69/14/355236914.db2.gz GAVVQOTWOUCJPX-CQSZACIVSA-N 0 1 247.338 2.175 20 0 BEADMN Cc1cc(F)c(CN[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000335280158 355243453 /nfs/dbraw/zinc/24/34/53/355243453.db2.gz SCZSFGGFYAQPHX-CHWSQXEVSA-N 0 1 241.281 2.276 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@H]1F ZINC000335289511 355260642 /nfs/dbraw/zinc/26/06/42/355260642.db2.gz ZHAWWDAHFSUIEA-CHWSQXEVSA-N 0 1 239.338 2.407 20 0 BEADMN CCc1ccc(CN(C)C[C@@H]2CCCO2)cn1 ZINC000347678973 355265370 /nfs/dbraw/zinc/26/53/70/355265370.db2.gz TZFSAMODHJHIFT-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CN(Cc1ccns1)[C@H](CO)CC(C)(C)C ZINC000639245976 355274253 /nfs/dbraw/zinc/27/42/53/355274253.db2.gz PLZGVBULOQRSSB-JTQLQIEISA-N 0 1 242.388 2.372 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)[C@@H](C)CN1C ZINC000352013493 134035863 /nfs/dbraw/zinc/03/58/63/134035863.db2.gz JEJGDLXDTCOLMG-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)(CN1CC(C)(O)C1)c1ccccc1 ZINC000639253519 355290984 /nfs/dbraw/zinc/29/09/84/355290984.db2.gz IMMHSVACFSABED-UHFFFAOYSA-N 0 1 219.328 2.031 20 0 BEADMN CCn1ccc(CN[C@@H](C)[C@H]2CC2(F)F)n1 ZINC000639261388 355313567 /nfs/dbraw/zinc/31/35/67/355313567.db2.gz KFRODKZVEFVOCF-WCBMZHEXSA-N 0 1 229.274 2.036 20 0 BEADMN OCC1(CCNCc2nc3ccccc3o2)CC1 ZINC000639248408 355278846 /nfs/dbraw/zinc/27/88/46/355278846.db2.gz XYUOEPYBNLOEKA-UHFFFAOYSA-N 0 1 246.310 2.080 20 0 BEADMN CCc1ncc(CN[C@H](C)[C@H]2CC2(F)F)o1 ZINC000639248648 355279192 /nfs/dbraw/zinc/27/91/92/355279192.db2.gz DKFGWPHPVHZQNS-VXNVDRBHSA-N 0 1 230.258 2.370 20 0 BEADMN CCC1CN([C@@H](c2nccn2C)C2CC2)C1 ZINC000639248690 355279208 /nfs/dbraw/zinc/27/92/08/355279208.db2.gz LWKWRHAMNCHFCE-GFCCVEGCSA-N 0 1 219.332 2.213 20 0 BEADMN CC[C@H]1CN(CC)CCN1Cc1ccns1 ZINC000639251052 355281671 /nfs/dbraw/zinc/28/16/71/355281671.db2.gz VRTOXQLJGJCREP-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN C[C@H]1CC[C@@H](CNCc2nc3ccccc3o2)O1 ZINC000639250430 355283237 /nfs/dbraw/zinc/28/32/37/355283237.db2.gz SMKUSBSQQWSEKJ-QWRGUYRKSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H]1CC[C@H](CNCc2nc3ccccc3o2)O1 ZINC000639250431 355283553 /nfs/dbraw/zinc/28/35/53/355283553.db2.gz SMKUSBSQQWSEKJ-WDEREUQCSA-N 0 1 246.310 2.485 20 0 BEADMN CC[C@@]1(O)CCN(Cc2cccc(F)c2F)C1 ZINC000335750935 355392027 /nfs/dbraw/zinc/39/20/27/355392027.db2.gz FPNZBKDOZRPSSM-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000583508978 355345749 /nfs/dbraw/zinc/34/57/49/355345749.db2.gz ZPLFPPMOOCPQMM-QWRGUYRKSA-N 0 1 237.347 2.091 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nnc2n1CCCC2 ZINC000335783489 355431480 /nfs/dbraw/zinc/43/14/80/355431480.db2.gz BSJJABUKVDRLLE-NEPJUHHUSA-N 0 1 248.374 2.235 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cc(C)on2)CC1 ZINC000335788979 355440103 /nfs/dbraw/zinc/44/01/03/355440103.db2.gz LIZJRTQUYQGWBU-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN Cc1ccc2c(c1)CN(C[C@H]1CCCO1)C2 ZINC000335796640 355453470 /nfs/dbraw/zinc/45/34/70/355453470.db2.gz MDSHMNGOQJDFOT-CQSZACIVSA-N 0 1 217.312 2.490 20 0 BEADMN Cc1cccc2ncc(CNC(C)(C)CF)n21 ZINC000349784986 355462269 /nfs/dbraw/zinc/46/22/69/355462269.db2.gz DYBKIBOEENPJOW-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN CCn1ccnc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000335802881 355472654 /nfs/dbraw/zinc/47/26/54/355472654.db2.gz VGROERMOTUFETP-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1CN1C[C@H](C)C[C@H]1C ZINC000335802881 355472656 /nfs/dbraw/zinc/47/26/56/355472656.db2.gz VGROERMOTUFETP-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000335802882 355472733 /nfs/dbraw/zinc/47/27/33/355472733.db2.gz VGROERMOTUFETP-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1CN1C[C@H](C)C[C@@H]1C ZINC000335802882 355472734 /nfs/dbraw/zinc/47/27/34/355472734.db2.gz VGROERMOTUFETP-MNOVXSKESA-N 0 1 207.321 2.133 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)c1cccc(C)c1 ZINC000335820565 355538368 /nfs/dbraw/zinc/53/83/68/355538368.db2.gz HUYOAKLAZNPUHH-CQSZACIVSA-N 0 1 246.354 2.209 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)c1cccc(C)c1 ZINC000335820564 355538469 /nfs/dbraw/zinc/53/84/69/355538469.db2.gz HUYOAKLAZNPUHH-AWEZNQCLSA-N 0 1 246.354 2.209 20 0 BEADMN C[C@H]1CC[C@H](C[N@H+]2CCOCC23CCCC3)O1 ZINC000335822806 355542744 /nfs/dbraw/zinc/54/27/44/355542744.db2.gz NXWXGJSWADJCGM-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN CC1=CCN(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC000349989294 355546819 /nfs/dbraw/zinc/54/68/19/355546819.db2.gz HSVZGURYWHDEKY-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CC[N@@H+](CCOC)Cc1ccccc1N(C)C ZINC000349861608 355510510 /nfs/dbraw/zinc/51/05/10/355510510.db2.gz QGSVGITUQVHVOB-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC1(CN2CCOC[C@H]2[C@H]2CCCO2)CCC1 ZINC000335839102 355568932 /nfs/dbraw/zinc/56/89/32/355568932.db2.gz TUQZYVOPUZTIOK-QWHCGFSZSA-N 0 1 239.359 2.056 20 0 BEADMN CC1(C)C[C@@H](NCc2cc(C3CC3)no2)CO1 ZINC000639301765 355641824 /nfs/dbraw/zinc/64/18/24/355641824.db2.gz BHBCWPOCGCRLME-SNVBAGLBSA-N 0 1 236.315 2.209 20 0 BEADMN COc1cccc(C)c1CN(C)Cc1cnc[nH]1 ZINC000639301939 355643348 /nfs/dbraw/zinc/64/33/48/355643348.db2.gz XMBWFVMVKVWDAH-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cc1cnc(CNC[C@H](C)c2ccccn2)o1 ZINC000639302189 355645965 /nfs/dbraw/zinc/64/59/65/355645965.db2.gz DQSUXKPHMYDPLQ-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN CCc1nc(C)c(CN2CCCO[C@@H](C)C2)o1 ZINC000335880134 355668268 /nfs/dbraw/zinc/66/82/68/355668268.db2.gz ORCFJNMIGHNQRB-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN COCC1(CNCc2nc3ccccc3o2)CC1 ZINC000639299601 355629345 /nfs/dbraw/zinc/62/93/45/355629345.db2.gz SWFYNCFKXANIAT-UHFFFAOYSA-N 0 1 246.310 2.344 20 0 BEADMN C[N@@H+](Cc1cccc2c[nH]nc21)[C@@H]1CCCOC1 ZINC000335870002 355635852 /nfs/dbraw/zinc/63/58/52/355635852.db2.gz OOQCSMBBGUMWKI-CYBMUJFWSA-N 0 1 245.326 2.174 20 0 BEADMN NC(=O)[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000336370612 181205301 /nfs/dbraw/zinc/20/53/01/181205301.db2.gz VZSOXFGGDQMPKW-ZETCQYMHSA-N 0 1 228.679 2.290 20 0 BEADMN OCc1ccc(CN2CCC[C@H](F)C2)cc1 ZINC000639313345 355686643 /nfs/dbraw/zinc/68/66/43/355686643.db2.gz QRRBYICLUDKDEA-ZDUSSCGKSA-N 0 1 223.291 2.113 20 0 BEADMN CC[C@H](O)CCN[C@@H]1CCCc2scnc21 ZINC000623907325 355773140 /nfs/dbraw/zinc/77/31/40/355773140.db2.gz SVTQAMMEIHRVLK-VHSXEESVSA-N 0 1 240.372 2.271 20 0 BEADMN CCC[N@H+]1CC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000639329686 355746246 /nfs/dbraw/zinc/74/62/46/355746246.db2.gz KKYYUVUDKXTHHH-LBPRGKRZSA-N 0 1 249.358 2.126 20 0 BEADMN CCCCN(CC)C(=O)CN1C[C@H]2CCC[C@@H]21 ZINC000350725218 355750727 /nfs/dbraw/zinc/75/07/27/355750727.db2.gz UMALYXYZXLCTBM-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1c[nH]nc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000336011865 134051905 /nfs/dbraw/zinc/05/19/05/134051905.db2.gz IVMIHEZNRRATQB-CHWSQXEVSA-N 0 1 249.358 2.250 20 0 BEADMN Cn1ccnc1CN1C2CCCC1CCC2 ZINC000608498885 355827062 /nfs/dbraw/zinc/82/70/62/355827062.db2.gz HIFZIXNZKIZDDU-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN CCC(F)(F)CN[C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639350759 355798897 /nfs/dbraw/zinc/79/88/97/355798897.db2.gz OTKRIHNLAIPXCS-VHSXEESVSA-N 0 1 248.317 2.069 20 0 BEADMN CC[C@H](C)[C@H](CN1CCO[C@@H](CCF)C1)OC ZINC000639352215 355801573 /nfs/dbraw/zinc/80/15/73/355801573.db2.gz FHLBMVMWZRKGTH-AVGNSLFASA-N 0 1 247.354 2.108 20 0 BEADMN Cn1cc(CN2CC(c3ccccc3)C2)cn1 ZINC000639361609 355815177 /nfs/dbraw/zinc/81/51/77/355815177.db2.gz KIGSNXMOXARJQI-UHFFFAOYSA-N 0 1 227.311 2.020 20 0 BEADMN CCc1cnc(CN(CC)C[C@H]2CCOC2)o1 ZINC000608492740 355817990 /nfs/dbraw/zinc/81/79/90/355817990.db2.gz RHVMIDHWEBYUTK-LLVKDONJSA-N 0 1 238.331 2.095 20 0 BEADMN COCc1cc(CN[C@H]2CCCC23CC3)no1 ZINC000639360988 355820593 /nfs/dbraw/zinc/82/05/93/355820593.db2.gz RSMUBHBZGPZNOE-LBPRGKRZSA-N 0 1 236.315 2.243 20 0 BEADMN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ncc[nH]1 ZINC000639366002 355840840 /nfs/dbraw/zinc/84/08/40/355840840.db2.gz IDKCKVWGLQNGJV-BXUZGUMPSA-N 0 1 245.326 2.276 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H](C)CC2)n1 ZINC000336032442 134058918 /nfs/dbraw/zinc/05/89/18/134058918.db2.gz ZPTSECCUWCOEQV-LLVKDONJSA-N 0 1 219.332 2.407 20 0 BEADMN CC(C)C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000583639558 355940504 /nfs/dbraw/zinc/94/05/04/355940504.db2.gz KELREHKYCLQJSI-NSHDSACASA-N 0 1 249.358 2.141 20 0 BEADMN CC1(NCc2cccc3cc[nH]c32)COC1 ZINC000639382137 355927350 /nfs/dbraw/zinc/92/73/50/355927350.db2.gz MRPQIQUCDJQGJP-UHFFFAOYSA-N 0 1 216.284 2.046 20 0 BEADMN C/C(=C\c1ccccc1)CNC1(C)COC1 ZINC000639382553 355930068 /nfs/dbraw/zinc/93/00/68/355930068.db2.gz RYVOIPXZNMVHMS-XYOKQWHBSA-N 0 1 217.312 2.468 20 0 BEADMN Cc1ccc(CNC2(C)COC2)cc1F ZINC000639382672 355930116 /nfs/dbraw/zinc/93/01/16/355930116.db2.gz VRNUJIXOSLTCNF-UHFFFAOYSA-N 0 1 209.264 2.013 20 0 BEADMN COc1ccc(CN2CCSCC2)cc1 ZINC000127255528 324756544 /nfs/dbraw/zinc/75/65/44/324756544.db2.gz QAAVYNGDCIMLHS-UHFFFAOYSA-N 0 1 223.341 2.244 20 0 BEADMN Cc1ncc(CN2CCC(C)(F)CC2)cn1 ZINC000639388527 356006832 /nfs/dbraw/zinc/00/68/32/356006832.db2.gz GEWBJROGADKYJB-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1c1ccnc2cc(F)ccc21 ZINC000336057158 134066660 /nfs/dbraw/zinc/06/66/60/134066660.db2.gz DMQRTYLPKBNOQI-MWLCHTKSSA-N 0 1 246.285 2.333 20 0 BEADMN CC(C)CN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000639383470 355951209 /nfs/dbraw/zinc/95/12/09/355951209.db2.gz GOGRFJDVEHSVGC-UHFFFAOYSA-N 0 1 248.374 2.263 20 0 BEADMN CC[C@@]1(O)CCCN(Cc2ncc(C)s2)C1 ZINC000639384021 355957878 /nfs/dbraw/zinc/95/78/78/355957878.db2.gz ALRIRWNDMNQVNO-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN COCCN(Cc1ccon1)[C@@H]1CCC[C@@H]1C ZINC000351644571 356042203 /nfs/dbraw/zinc/04/22/03/356042203.db2.gz AKQUBIWDMMEZHB-WCQYABFASA-N 0 1 238.331 2.312 20 0 BEADMN COCCN(Cc1ccon1)[C@H]1CC[C@@H](C)C1 ZINC000351645762 356042914 /nfs/dbraw/zinc/04/29/14/356042914.db2.gz DZOQJURQNQAZAB-YPMHNXCESA-N 0 1 238.331 2.312 20 0 BEADMN FC(F)Cn1cc(CN2CCC23CCC3)cn1 ZINC000351661358 356047573 /nfs/dbraw/zinc/04/75/73/356047573.db2.gz JPTBZJTZDVXKAO-UHFFFAOYSA-N 0 1 241.285 2.277 20 0 BEADMN Cn1cc(CN2CCC[C@H](C3CCC3)CC2)nn1 ZINC000639392247 356051817 /nfs/dbraw/zinc/05/18/17/356051817.db2.gz UVKWTJVSFJQELF-ZDUSSCGKSA-N 0 1 248.374 2.217 20 0 BEADMN COCc1cc(CN[C@]23C[C@H]2CCCC3)no1 ZINC000639395937 356106729 /nfs/dbraw/zinc/10/67/29/356106729.db2.gz RFCXIFIWAQDKRM-ZWNOBZJWSA-N 0 1 236.315 2.243 20 0 BEADMN CC(=O)Nc1cccc(CN2CC(C)(C)C2)c1 ZINC000639393187 356066088 /nfs/dbraw/zinc/06/60/88/356066088.db2.gz HVPYZKGEDKQPEV-UHFFFAOYSA-N 0 1 232.327 2.487 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351806163 356088603 /nfs/dbraw/zinc/08/86/03/356088603.db2.gz DPPBTVWOOQQNKG-KBVBSXBZSA-N 0 1 241.281 2.338 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1n[nH]cc1C(F)(F)F ZINC000632803415 356092454 /nfs/dbraw/zinc/09/24/54/356092454.db2.gz CXKAHGKOEWGSEZ-WDSKDSINSA-N 0 1 247.220 2.051 20 0 BEADMN COC(=O)CN(CC[C@H](C)F)C1CCCC1 ZINC000351867544 356102383 /nfs/dbraw/zinc/10/23/83/356102383.db2.gz CYOBGMLHPVLVHJ-JTQLQIEISA-N 0 1 231.311 2.152 20 0 BEADMN COC(=O)CN(CC[C@@H](C)F)C1CCCC1 ZINC000351867545 356102950 /nfs/dbraw/zinc/10/29/50/356102950.db2.gz CYOBGMLHPVLVHJ-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN Cc1cnc(C[N@H+]2CCCC2(C)C)cn1 ZINC000335915751 356155903 /nfs/dbraw/zinc/15/59/03/356155903.db2.gz IGBWQTMYWKFVOV-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1cnc(C)cn1 ZINC000335915762 356155920 /nfs/dbraw/zinc/15/59/20/356155920.db2.gz NDWQMVXMQHQZJW-LBPRGKRZSA-N 0 1 205.305 2.159 20 0 BEADMN Nc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)ccn1 ZINC000336093031 134079353 /nfs/dbraw/zinc/07/93/53/134079353.db2.gz VOGRWUVCVYHJNJ-CQSZACIVSA-N 0 1 239.322 2.441 20 0 BEADMN Nc1cc(CN2CC[C@@H]2c2ccccc2)ccn1 ZINC000336093031 134079354 /nfs/dbraw/zinc/07/93/54/134079354.db2.gz VOGRWUVCVYHJNJ-CQSZACIVSA-N 0 1 239.322 2.441 20 0 BEADMN CCN(CC(=O)N[C@H](C)C(C)(C)CC)C1CC1 ZINC000617569665 356130426 /nfs/dbraw/zinc/13/04/26/356130426.db2.gz BJCAAWQRIGOBMA-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000639433358 356212582 /nfs/dbraw/zinc/21/25/82/356212582.db2.gz MPFQMANINXFDIF-ZDUSSCGKSA-N 0 1 203.285 2.413 20 0 BEADMN CC(=O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000639435452 356214359 /nfs/dbraw/zinc/21/43/59/356214359.db2.gz ZHLYJPPFMDRNKJ-UHFFFAOYSA-N 0 1 233.311 2.161 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1ccc(Cl)o1 ZINC000336107380 134082857 /nfs/dbraw/zinc/08/28/57/134082857.db2.gz HCTWRXDEPHDYSY-IUCAKERBSA-N 0 1 229.707 2.136 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000617635920 356222188 /nfs/dbraw/zinc/22/21/88/356222188.db2.gz WWUCWXMYNSSCOL-SECBINFHSA-N 0 1 235.331 2.064 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000617636990 356231942 /nfs/dbraw/zinc/23/19/42/356231942.db2.gz LOKCNCDMLBHNHT-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H]1CCCCN1C ZINC000617636990 356231944 /nfs/dbraw/zinc/23/19/44/356231944.db2.gz LOKCNCDMLBHNHT-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)CCNC(=O)c1[nH]nc(C)c1C ZINC000617637449 356236506 /nfs/dbraw/zinc/23/65/06/356236506.db2.gz WMBQYFXYTFEDNF-QMMMGPOBSA-N 0 1 223.320 2.193 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000617643205 356258767 /nfs/dbraw/zinc/25/87/67/356258767.db2.gz OUYWXXRNUQELDO-GHMZBOCLSA-N 0 1 237.347 2.141 20 0 BEADMN c1csc(CNC[C@@H]2CCCS2)n1 ZINC000087473300 491088764 /nfs/dbraw/zinc/08/87/64/491088764.db2.gz HEMNWDIYSUOVCT-QMMMGPOBSA-N 0 1 214.359 2.128 20 0 BEADMN CC(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000639497431 356325615 /nfs/dbraw/zinc/32/56/15/356325615.db2.gz UHPQSRWGPWCZAY-CQSZACIVSA-N 0 1 217.312 2.140 20 0 BEADMN CCC[N@@H+](C[C@H]1CCCCO1)[C@@H](CC)C(=O)[O-] ZINC000420278910 192198117 /nfs/dbraw/zinc/19/81/17/192198117.db2.gz WOBGQWNLWPJELM-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCC[N@@H+](C[C@H]1CCCCO1)[C@H](CC)C(=O)[O-] ZINC000420278914 192198521 /nfs/dbraw/zinc/19/85/21/192198521.db2.gz WOBGQWNLWPJELM-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN CC(=O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000639490707 356308691 /nfs/dbraw/zinc/30/86/91/356308691.db2.gz ALAAHSGVZFPJRZ-UHFFFAOYSA-N 0 1 235.302 2.422 20 0 BEADMN Cc1cc(C(=O)N2CCC(C3CCC3)CC2)n[nH]1 ZINC000617773868 356337568 /nfs/dbraw/zinc/33/75/68/356337568.db2.gz DZNFCCIMJMEJPN-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC(C2CCC2)CC1 ZINC000617774054 356337787 /nfs/dbraw/zinc/33/77/87/356337787.db2.gz MASGOAYVAXMFBC-UHFFFAOYSA-N 0 1 233.315 2.062 20 0 BEADMN CCCC[C@H](C)[N@@H+](C)CC(=O)NCC1CC1 ZINC000352410600 356341671 /nfs/dbraw/zinc/34/16/71/356341671.db2.gz RRODNOCUOBAVQI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC(=O)CN(Cc1ccccc1)[C@H](CO)C(C)C ZINC000639510961 356345422 /nfs/dbraw/zinc/34/54/22/356345422.db2.gz HNXBSEDABMTIIT-OAHLLOKOSA-N 0 1 249.354 2.095 20 0 BEADMN Cc1nnc([C@H](C)N[C@H]2CCC[C@H]2C)o1 ZINC000380272143 356349923 /nfs/dbraw/zinc/34/99/23/356349923.db2.gz WQMWJZHEJZRDRD-WEDXCCLWSA-N 0 1 209.293 2.217 20 0 BEADMN CC(=O)CN1CC[C@](C)(c2ccccc2)C1 ZINC000639513564 356351110 /nfs/dbraw/zinc/35/11/10/356351110.db2.gz KJBBLHZJUTYFRJ-AWEZNQCLSA-N 0 1 217.312 2.239 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639538509 356390854 /nfs/dbraw/zinc/39/08/54/356390854.db2.gz QEQLUHFZIIKZRC-ZETCQYMHSA-N 0 1 245.273 2.464 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CC(C)(C)CO1 ZINC000639546124 356410076 /nfs/dbraw/zinc/41/00/76/356410076.db2.gz CJDANNYWYHYDAS-CYBMUJFWSA-N 0 1 234.343 2.329 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639549587 356417276 /nfs/dbraw/zinc/41/72/76/356417276.db2.gz SWEUGSSQEVZNAJ-OLZOCXBDSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000623754076 356403605 /nfs/dbraw/zinc/40/36/05/356403605.db2.gz IWQNJHBJKKASGI-CHWSQXEVSA-N 0 1 249.358 2.121 20 0 BEADMN C(c1noc(CN2CC[C@H](C3CC3)C2)n1)C1CC1 ZINC000639555265 356457960 /nfs/dbraw/zinc/45/79/60/356457960.db2.gz XCIBENLWQQLLJL-LBPRGKRZSA-N 0 1 247.342 2.254 20 0 BEADMN C(c1noc(CN2CC[C@@H](C3CC3)C2)n1)C1CC1 ZINC000639555264 356458587 /nfs/dbraw/zinc/45/85/87/356458587.db2.gz XCIBENLWQQLLJL-GFCCVEGCSA-N 0 1 247.342 2.254 20 0 BEADMN CCN1C[C@H](C)N(CC(F)(F)CC)C[C@@H]1C ZINC000639556579 356459440 /nfs/dbraw/zinc/45/94/40/356459440.db2.gz OWDFVKCIQFGNAS-QWRGUYRKSA-N 0 1 234.334 2.446 20 0 BEADMN CCN1C[C@H](C)N(CC(F)(F)CC)C[C@H]1C ZINC000639556577 356459585 /nfs/dbraw/zinc/45/95/85/356459585.db2.gz OWDFVKCIQFGNAS-MNOVXSKESA-N 0 1 234.334 2.446 20 0 BEADMN NC(=O)[C@H](c1ccccc1)N1C[C@H]2CCCC[C@H]21 ZINC000368093191 181279196 /nfs/dbraw/zinc/27/91/96/181279196.db2.gz OURLFQXIIROVPU-MCIONIFRSA-N 0 1 244.338 2.087 20 0 BEADMN Cc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)sc1C ZINC000336167103 134113264 /nfs/dbraw/zinc/11/32/64/134113264.db2.gz PWJVQTJXMGRUPV-BDAKNGLRSA-N 0 1 239.388 2.289 20 0 BEADMN COc1ccc([C@H](C)NCC(C)=O)cc1F ZINC000639561423 356476844 /nfs/dbraw/zinc/47/68/44/356476844.db2.gz HBARCXOAGMKYBI-VIFPVBQESA-N 0 1 225.263 2.074 20 0 BEADMN CC[C@@H](NCC(C)=O)c1ccc2c(c1)OCCO2 ZINC000639561928 356476946 /nfs/dbraw/zinc/47/69/46/356476946.db2.gz QZKIMYXABZMFPK-GFCCVEGCSA-N 0 1 249.310 2.088 20 0 BEADMN CCC1(CC)CN(CC(C)=O)CCS1 ZINC000639588350 356511996 /nfs/dbraw/zinc/51/19/96/356511996.db2.gz QWVMRAWXDCSKHB-UHFFFAOYSA-N 0 1 215.362 2.183 20 0 BEADMN C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000639570336 356495150 /nfs/dbraw/zinc/49/51/50/356495150.db2.gz CAHONEXDVVEJRP-NOOOWODRSA-N 0 1 215.312 2.091 20 0 BEADMN CC(C)[C@H]1CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639572016 356496198 /nfs/dbraw/zinc/49/61/98/356496198.db2.gz MTNRMPQCBXBNIQ-CHWSQXEVSA-N 0 1 241.375 2.158 20 0 BEADMN CC(C)CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289002 356498409 /nfs/dbraw/zinc/49/84/09/356498409.db2.gz JXFOBMSXMGUXOO-NSHDSACASA-N 0 1 232.327 2.485 20 0 BEADMN CC(=O)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000639577540 356499114 /nfs/dbraw/zinc/49/91/14/356499114.db2.gz KMCMBBDYDVILMP-AWEZNQCLSA-N 0 1 217.312 2.373 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)C[C@@H](CC)O1 ZINC000420949671 192276409 /nfs/dbraw/zinc/27/64/09/192276409.db2.gz FQTRLXIJAWBBMJ-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)[C@H](C)[C@H](C)O1 ZINC000639603320 356523418 /nfs/dbraw/zinc/52/34/18/356523418.db2.gz NSKWXBXMVGIDQA-NDBYEHHHSA-N 0 1 241.375 2.299 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H]2CC(C)(C)CO2)CCO1 ZINC000639604462 356525828 /nfs/dbraw/zinc/52/58/28/356525828.db2.gz POUVDMXMYSPWRH-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@]1(C)CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639604463 356526175 /nfs/dbraw/zinc/52/61/75/356526175.db2.gz POUVDMXMYSPWRH-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H]1COC(C)(C)CN1C[C@@H]1CC(C)(C)CO1 ZINC000639611733 356530134 /nfs/dbraw/zinc/53/01/34/356530134.db2.gz BGHQTELLSZWMGY-RYUDHWBXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000336178475 134117294 /nfs/dbraw/zinc/11/72/94/134117294.db2.gz XHAOSWNOIOPWTB-VHSXEESVSA-N 0 1 243.310 2.481 20 0 BEADMN Cc1c[nH]nc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000336184622 134121091 /nfs/dbraw/zinc/12/10/91/134121091.db2.gz BMCJJWBNLUUUQO-LBPRGKRZSA-N 0 1 219.332 2.339 20 0 BEADMN CC(=O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000639613569 356537634 /nfs/dbraw/zinc/53/76/34/356537634.db2.gz DQTHYSNILXZERF-LBPRGKRZSA-N 0 1 219.328 2.447 20 0 BEADMN CC[C@@H](NCc1cc2ccccc2o1)C(=O)NC ZINC000449771423 202030113 /nfs/dbraw/zinc/03/01/13/202030113.db2.gz GWJOJSJTJJXBDN-GFCCVEGCSA-N 0 1 246.310 2.047 20 0 BEADMN CC[C@@H](NCc1ccc(Cl)s1)C(=O)NC ZINC000449769285 202029098 /nfs/dbraw/zinc/02/90/98/202029098.db2.gz DBZJSWQYCSFYNO-MRVPVSSYSA-N 0 1 246.763 2.016 20 0 BEADMN COC[C@@H]1CCCN(Cc2nccs2)CC1 ZINC000449776181 202031957 /nfs/dbraw/zinc/03/19/57/202031957.db2.gz NWVAXRZBRGNYBD-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN CCc1nc(NC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000336196198 134126164 /nfs/dbraw/zinc/12/61/64/134126164.db2.gz DCTSCYSHBWILIU-GFCCVEGCSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@]2(C)CC=CCC2)n1 ZINC000336196198 134126165 /nfs/dbraw/zinc/12/61/65/134126165.db2.gz DCTSCYSHBWILIU-GFCCVEGCSA-N 0 1 234.303 2.052 20 0 BEADMN Fc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421009596 192300757 /nfs/dbraw/zinc/30/07/57/192300757.db2.gz BVBXJRVTOIOBMS-CYBMUJFWSA-N 0 1 221.275 2.191 20 0 BEADMN c1csc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421013679 192301708 /nfs/dbraw/zinc/30/17/08/192301708.db2.gz GKXZEKAOMPVDKD-LLVKDONJSA-N 0 1 209.314 2.113 20 0 BEADMN c1csc(CN2CC[C@]23CCOC3)c1 ZINC000421013679 192301710 /nfs/dbraw/zinc/30/17/10/192301710.db2.gz GKXZEKAOMPVDKD-LLVKDONJSA-N 0 1 209.314 2.113 20 0 BEADMN Cc1csc(CN2CC[C@H](CCCO)C2)n1 ZINC000449791508 202039093 /nfs/dbraw/zinc/03/90/93/202039093.db2.gz OZZYUOJHJXDIPQ-NSHDSACASA-N 0 1 240.372 2.046 20 0 BEADMN CC1(C)CCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000334413067 535317927 /nfs/dbraw/zinc/31/79/27/535317927.db2.gz MHBZGARSDSCBJI-UHFFFAOYSA-N 0 1 234.347 2.304 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)NCc2cnc[nH]2)C[C@H]1C ZINC000449908394 202050916 /nfs/dbraw/zinc/05/09/16/202050916.db2.gz UKZDRIIRTDGVJX-MXWKQRLJSA-N 0 1 235.331 2.098 20 0 BEADMN CC[C@H](C)N1CCN(CC(F)(F)CC)CC1 ZINC000639664484 356578550 /nfs/dbraw/zinc/57/85/50/356578550.db2.gz HAMVZNJIELMHLV-NSHDSACASA-N 0 1 234.334 2.448 20 0 BEADMN CCC(F)(F)CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000639666344 356580438 /nfs/dbraw/zinc/58/04/38/356580438.db2.gz QQYFRGAKNHTDCA-VXGBXAGGSA-N 0 1 247.329 2.418 20 0 BEADMN C[C@@H]1CC(C)(C)CN1CC(=O)Nc1ccccn1 ZINC000639678659 356594455 /nfs/dbraw/zinc/59/44/55/356594455.db2.gz ZAENSOHTVYJIMJ-LLVKDONJSA-N 0 1 247.342 2.141 20 0 BEADMN Cc1cc(CSc2cn[nH]n2)cc(Cl)n1 ZINC001640950078 1172208225 /nfs/dbraw/zinc/20/82/25/1172208225.db2.gz QHODZKATWMKNSE-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000450133652 202085105 /nfs/dbraw/zinc/08/51/05/202085105.db2.gz MRCIJRZMSKOGOP-PHDIDXHHSA-N 0 1 247.220 2.413 20 0 BEADMN C[C@@H]1[C@@H](C)N(CCCCCF)[C@@H](C)C(=O)N1C ZINC000639688278 356597546 /nfs/dbraw/zinc/59/75/46/356597546.db2.gz FYNBETMXXMMKLQ-UTUOFQBUSA-N 0 1 244.354 2.066 20 0 BEADMN CCN(CC)C(=O)CN(C)CC1=CCCCC1 ZINC000450214758 202099312 /nfs/dbraw/zinc/09/93/12/202099312.db2.gz ZCRXPJQBQLWSGD-UHFFFAOYSA-N 0 1 238.375 2.287 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)[C@H](C)CO1 ZINC000639729750 356622958 /nfs/dbraw/zinc/62/29/58/356622958.db2.gz MBHRKLXDLAHTDR-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN c1[nH]nnc1SCc1cnc2ccccc2n1 ZINC001640949660 1172209262 /nfs/dbraw/zinc/20/92/62/1172209262.db2.gz DWQFAHIQIHEPCU-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN Cn1ccc(CN[C@H]2CC23CCCCC3)n1 ZINC000387216892 363545709 /nfs/dbraw/zinc/54/57/09/363545709.db2.gz ZBXQMUVNZQURGL-LBPRGKRZSA-N 0 1 219.332 2.233 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1cn(CC2CC2)nn1 ZINC000450286524 202119085 /nfs/dbraw/zinc/11/90/85/202119085.db2.gz MGJUAIRSQMKUMK-AWEZNQCLSA-N 0 1 248.374 2.309 20 0 BEADMN CCC[N@@H+](CC(=O)Nc1ccccn1)C(C)C ZINC000639751376 356643025 /nfs/dbraw/zinc/64/30/25/356643025.db2.gz ZHKXGZVJQSOVGX-UHFFFAOYSA-N 0 1 235.331 2.141 20 0 BEADMN CC(C)[C@H]1CN(Cc2ccc(CO)cc2)CCO1 ZINC000352784596 134152547 /nfs/dbraw/zinc/15/25/47/134152547.db2.gz OZKBBLQUEBQZSV-OAHLLOKOSA-N 0 1 249.354 2.036 20 0 BEADMN CC/C=C\CCN1CC[S@](=O)C[C@@H](C)C1 ZINC000617897702 356659146 /nfs/dbraw/zinc/65/91/46/356659146.db2.gz XJWNQAYXJLAISN-JGYVVBCTSA-N 0 1 229.389 2.043 20 0 BEADMN CCCN(CCC)[C@H](C)c1nccc(N)n1 ZINC000578141083 366321831 /nfs/dbraw/zinc/32/18/31/366321831.db2.gz ZXDDDYZBWLFPOL-SNVBAGLBSA-N 0 1 222.336 2.072 20 0 BEADMN COC(=O)C1CCC(N[C@@H](C)C(C)(F)F)CC1 ZINC000389472305 356681603 /nfs/dbraw/zinc/68/16/03/356681603.db2.gz STTRULBGYKGKIB-IDKOKCKLSA-N 0 1 249.301 2.352 20 0 BEADMN C[C@H](NC[C@@H]1CCCOC1)C(C)(F)F ZINC000389478793 356684998 /nfs/dbraw/zinc/68/49/98/356684998.db2.gz CKSSCZZWQOHJHY-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CC1(C)CCC[C@H](CC(=O)N2CCNCC2)C1 ZINC000353086266 356701324 /nfs/dbraw/zinc/70/13/24/356701324.db2.gz KJQUVGDBKFFPLY-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2sccc2C)n[nH]1 ZINC000054128652 363562749 /nfs/dbraw/zinc/56/27/49/363562749.db2.gz QGYKBKDFIBRNMF-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1cn(CC2CC2)nn1 ZINC000450457045 202169812 /nfs/dbraw/zinc/16/98/12/202169812.db2.gz ZMGHRAMPUARIRZ-RISCZKNCSA-N 0 1 248.374 2.309 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)ccn1 ZINC000639776966 356719803 /nfs/dbraw/zinc/71/98/03/356719803.db2.gz RMBWFZGEPGEUSG-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2cn[nH]c2)ccn1 ZINC000639776966 356719805 /nfs/dbraw/zinc/71/98/05/356719805.db2.gz RMBWFZGEPGEUSG-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN C/C=C\CNCc1cc(C(=O)OC)c(C)o1 ZINC000384706936 356727137 /nfs/dbraw/zinc/72/71/37/356727137.db2.gz CKXNOGSJPFGYTG-PLNGDYQASA-N 0 1 223.272 2.040 20 0 BEADMN c1n[nH]cc1[C@@H]1CCCN1Cc1cccnc1 ZINC000639782647 356731972 /nfs/dbraw/zinc/73/19/72/356731972.db2.gz VSYDBAXHMAZWKE-ZDUSSCGKSA-N 0 1 228.299 2.142 20 0 BEADMN Cc1cc(C)c(CN(C)Cc2cnc[nH]2)c(C)n1 ZINC000639784007 356736487 /nfs/dbraw/zinc/73/64/87/356736487.db2.gz VDPATDIKRGUTDP-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN CCCN1CCC[C@@H]1c1nc(-c2cocn2)no1 ZINC000350873399 366357300 /nfs/dbraw/zinc/35/73/00/366357300.db2.gz NANIKYQAJDQJGM-SNVBAGLBSA-N 0 1 248.286 2.272 20 0 BEADMN C/C=C/CNCc1nc2ccccc2n1C ZINC000390473154 356716497 /nfs/dbraw/zinc/71/64/97/356716497.db2.gz JTRKNNNXZFOTQI-ONEGZZNKSA-N 0 1 215.300 2.239 20 0 BEADMN CCN(C(=O)Cc1ccn[nH]1)[C@@H]1CCCC[C@@H]1C ZINC000174532472 538675466 /nfs/dbraw/zinc/67/54/66/538675466.db2.gz BYRGDZDVKUIFLD-WCQYABFASA-N 0 1 249.358 2.379 20 0 BEADMN CCc1nc(CN2CCc3cccc(F)c32)n[nH]1 ZINC000355078861 356749477 /nfs/dbraw/zinc/74/94/77/356749477.db2.gz BPTZILAOANBQFK-UHFFFAOYSA-N 0 1 246.289 2.069 20 0 BEADMN CCCCOCCN1CCO[C@H]2CCC[C@@H]21 ZINC000054342341 363567284 /nfs/dbraw/zinc/56/72/84/363567284.db2.gz SYQXDLWUYGEKHP-STQMWFEESA-N 0 1 227.348 2.056 20 0 BEADMN CN(CCC[C@H]1CCOC1)Cc1ccns1 ZINC000639810749 356788773 /nfs/dbraw/zinc/78/87/73/356788773.db2.gz ZBXKMWUYJMGXNJ-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000450473730 202177582 /nfs/dbraw/zinc/17/75/82/202177582.db2.gz NUPWNHRGEATFGN-CQSZACIVSA-N 0 1 233.311 2.110 20 0 BEADMN CO[C@@H]1CN(C[C@@H]2CCC[C@H](C)C2)CCO1 ZINC000639836802 356823618 /nfs/dbraw/zinc/82/36/18/356823618.db2.gz JNIOWONYGBEDMP-XQQFMLRXSA-N 0 1 227.348 2.117 20 0 BEADMN CC[C@]1(C)CCN(Cc2cn(CC3CC3)nn2)C1 ZINC000450488922 202181817 /nfs/dbraw/zinc/18/18/17/202181817.db2.gz YHFQJSAZLZHTFT-CQSZACIVSA-N 0 1 248.374 2.310 20 0 BEADMN C/C=C/CNCc1ccc([N+](=O)[O-])cc1F ZINC000384863344 356783037 /nfs/dbraw/zinc/78/30/37/356783037.db2.gz NIJJOORMIRRQIZ-NSCUHMNNSA-N 0 1 224.235 2.400 20 0 BEADMN CCO[C@H](CN(C)Cc1ccns1)C1CC1 ZINC000639809387 356783553 /nfs/dbraw/zinc/78/35/53/356783553.db2.gz SOANKYGPYRXWED-GFCCVEGCSA-N 0 1 240.372 2.390 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)n1 ZINC000166420468 538730067 /nfs/dbraw/zinc/73/00/67/538730067.db2.gz SUGIKJOOABDKLU-AEJSXWLSSA-N 0 1 240.372 2.262 20 0 BEADMN COc1ccnc(CN[C@@H](C)C(C)(C)C)n1 ZINC000450552900 202191410 /nfs/dbraw/zinc/19/14/10/202191410.db2.gz AINPEGFFIRPUSF-VIFPVBQESA-N 0 1 223.320 2.009 20 0 BEADMN CC(C)C(C)(C)CNC(=O)CCc1cnc[nH]1 ZINC000281992152 538719524 /nfs/dbraw/zinc/71/95/24/538719524.db2.gz VSMTXTHFSKEDMZ-UHFFFAOYSA-N 0 1 237.347 2.141 20 0 BEADMN O=C(Cc1ccco1)Nc1ccc2nc[nH]c2c1 ZINC000352631871 538724898 /nfs/dbraw/zinc/72/48/98/538724898.db2.gz ZJYMNTQQBHCTPQ-UHFFFAOYSA-N 0 1 241.250 2.337 20 0 BEADMN CC(C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000352739455 538725685 /nfs/dbraw/zinc/72/56/85/538725685.db2.gz NCCBNZAPKXWCIG-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN CCN(Cc1scnc1C)[C@@H]1CCOC1 ZINC000361235370 356921006 /nfs/dbraw/zinc/92/10/06/356921006.db2.gz AOXVIEZGPMETLD-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CCN(Cc1ncccn1)CC1CCC1 ZINC000361480855 356930516 /nfs/dbraw/zinc/93/05/16/356930516.db2.gz HAUKYYDZHPJBJL-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CCN(Cc1nc(-c2ccccn2)no1)C(C)C ZINC000360128116 356902986 /nfs/dbraw/zinc/90/29/86/356902986.db2.gz DLQWXDNYIJCYPL-UHFFFAOYSA-N 0 1 246.314 2.362 20 0 BEADMN CC[C@H](CN1CCC[C@@H]1c1ncccn1)OC ZINC000639871661 357028183 /nfs/dbraw/zinc/02/81/83/357028183.db2.gz PQMZLMNCXHNRHU-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN CSCC[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000129918914 357042919 /nfs/dbraw/zinc/04/29/19/357042919.db2.gz JVYFSYHNCFQGMQ-JTQLQIEISA-N 0 1 245.388 2.172 20 0 BEADMN CC1(C)C[C@@H](O)CCN(Cc2nccs2)C1 ZINC000295337527 357009520 /nfs/dbraw/zinc/00/95/20/357009520.db2.gz XYIDUXPIJLIJDI-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)CC[C@H](O)CN1CCOCC12CCC2 ZINC000373610057 357137680 /nfs/dbraw/zinc/13/76/80/357137680.db2.gz MOOXUQAWQQFAAT-ZDUSSCGKSA-N 0 1 241.375 2.038 20 0 BEADMN COc1cc([C@@H](C)NCC(C)(C)F)ccn1 ZINC000631660113 357193726 /nfs/dbraw/zinc/19/37/26/357193726.db2.gz DQJVYNZXYWHRBH-SECBINFHSA-N 0 1 226.295 2.489 20 0 BEADMN Fc1ccc(F)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000628408918 357209235 /nfs/dbraw/zinc/20/92/35/357209235.db2.gz JDOFVBYTQKUJQI-DTORHVGOSA-N 0 1 209.239 2.417 20 0 BEADMN c1cn(-c2ccccc2)nc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410811 357216902 /nfs/dbraw/zinc/21/69/02/357216902.db2.gz SOMIDOKUGLADGM-BETUJISGSA-N 0 1 239.322 2.324 20 0 BEADMN c1nc(C2CC2)oc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628412081 357222915 /nfs/dbraw/zinc/22/29/15/357222915.db2.gz UDMQVPRBBJRGEX-AOOOYVTPSA-N 0 1 204.273 2.004 20 0 BEADMN CCc1cc(CN[C@H](C)COC(C)C)on1 ZINC000393743134 357295429 /nfs/dbraw/zinc/29/54/29/357295429.db2.gz JGWJHXCBTYAEOL-SNVBAGLBSA-N 0 1 226.320 2.140 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1Cl ZINC000393813810 357301159 /nfs/dbraw/zinc/30/11/59/357301159.db2.gz TTXWDMJSOHDCMR-SECBINFHSA-N 0 1 241.718 2.287 20 0 BEADMN Cc1cnn(C)c1CN1CCCC(F)(F)CC1 ZINC000628422306 357243240 /nfs/dbraw/zinc/24/32/40/357243240.db2.gz WRHCEPOGDLPDPI-UHFFFAOYSA-N 0 1 243.301 2.350 20 0 BEADMN Cc1nccnc1CN1CCCC(F)(F)CC1 ZINC000628422510 357245267 /nfs/dbraw/zinc/24/52/67/357245267.db2.gz QOYQCVCJVFVCQT-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN CC1(C)CN(Cc2cncs2)CCCO1 ZINC000378346213 357252042 /nfs/dbraw/zinc/25/20/42/357252042.db2.gz PUMWQGKMAUGKSV-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)[C@@H](C)O ZINC000386736844 357313518 /nfs/dbraw/zinc/31/35/18/357313518.db2.gz CLFQOHXOBRIHKI-PSASIEDQSA-N 0 1 243.734 2.295 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000216554190 357328690 /nfs/dbraw/zinc/32/86/90/357328690.db2.gz ZGYVXINQSIVUHV-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000216527044 357329268 /nfs/dbraw/zinc/32/92/68/357329268.db2.gz IKQBTARYKCADPB-ZDUSSCGKSA-N 0 1 233.311 2.298 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000216505931 357329314 /nfs/dbraw/zinc/32/93/14/357329314.db2.gz YSARJIDEENRQRM-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN Cc1cscc1CNC(=O)CCc1cnc[nH]1 ZINC000357401727 538828433 /nfs/dbraw/zinc/82/84/33/538828433.db2.gz GXIPBQXMPZONNO-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)[C@H]1CCC(C)(C)C1 ZINC000357675467 538832224 /nfs/dbraw/zinc/83/22/24/538832224.db2.gz NCGADMHDWLCSGF-LBPRGKRZSA-N 0 1 249.358 2.379 20 0 BEADMN COc1ccc(CNCc2cnc(C)n2C)cc1 ZINC000582618239 357355143 /nfs/dbraw/zinc/35/51/43/357355143.db2.gz WNLKZUGROVPWQY-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN Cn1c(CN[C@H]2CCC2(C)C)nnc1C1CCC1 ZINC000582674993 357361432 /nfs/dbraw/zinc/36/14/32/357361432.db2.gz SYKWGIUHPRCCMO-NSHDSACASA-N 0 1 248.374 2.361 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000582812018 357401581 /nfs/dbraw/zinc/40/15/81/357401581.db2.gz LCOMDRUAIFATRQ-VXGBXAGGSA-N 0 1 240.391 2.221 20 0 BEADMN COC(=O)C(C)(C)CCN1CCC[C@@H](F)C1 ZINC000582909103 357433595 /nfs/dbraw/zinc/43/35/95/357433595.db2.gz GNANOSLLXJOZTP-SNVBAGLBSA-N 0 1 231.311 2.010 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1scnc1C ZINC000216640629 357446896 /nfs/dbraw/zinc/44/68/96/357446896.db2.gz ORUMWWFGTSICQS-VIFPVBQESA-N 0 1 242.344 2.137 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397050559 357491673 /nfs/dbraw/zinc/49/16/73/357491673.db2.gz XUIKSGYHTNRTFT-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H]1CN(CCCN(C)c2ccccc2)CCO1 ZINC000583141896 357492887 /nfs/dbraw/zinc/49/28/87/357492887.db2.gz ZCFFYYDXMNSFDP-CQSZACIVSA-N 0 1 248.370 2.234 20 0 BEADMN C[C@H]1CC[C@@H](CNc2ncnc3[nH]cnc32)C1 ZINC000230431256 357524710 /nfs/dbraw/zinc/52/47/10/357524710.db2.gz QHISFNOMJGCYQC-DTWKUNHWSA-N 0 1 231.303 2.201 20 0 BEADMN C[C@@H]1CC[C@H](CNc2ncnc3[nH]cnc32)C1 ZINC000230431258 357525123 /nfs/dbraw/zinc/52/51/23/357525123.db2.gz QHISFNOMJGCYQC-BDAKNGLRSA-N 0 1 231.303 2.201 20 0 BEADMN C[C@H]1CCC[C@H]1CNc1ncnc2[nH]cnc21 ZINC000230691187 357550581 /nfs/dbraw/zinc/55/05/81/357550581.db2.gz PECJCUQAPBXBOD-IUCAKERBSA-N 0 1 231.303 2.201 20 0 BEADMN Cc1ncsc1CN(C)C[C@H]1CC[C@H](C)O1 ZINC000188548655 357560595 /nfs/dbraw/zinc/56/05/95/357560595.db2.gz XVBRSOSLOAVVMS-GXSJLCMTSA-N 0 1 240.372 2.451 20 0 BEADMN CCN(Cc1ccccn1)C[C@@H]1CC[C@H](C)O1 ZINC000188562347 357563146 /nfs/dbraw/zinc/56/31/46/357563146.db2.gz HEUDUNCIGSUHLJ-JSGCOSHPSA-N 0 1 234.343 2.471 20 0 BEADMN Cc1nc([C@H](C)NCC2(O)CCC2)c(C)s1 ZINC000158870117 538869421 /nfs/dbraw/zinc/86/94/21/538869421.db2.gz SPZCKZGRXZMPAT-QMMMGPOBSA-N 0 1 240.372 2.326 20 0 BEADMN Cc1ccc(C)c(CN2CCCNC(=O)[C@@H]2C)c1 ZINC000189074454 357602795 /nfs/dbraw/zinc/60/27/95/357602795.db2.gz LGBLPSKBEGASLP-ZDUSSCGKSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1nc([C@H](C)NC[C@H](O)C(C)C)c(C)s1 ZINC000159060264 538873848 /nfs/dbraw/zinc/87/38/48/538873848.db2.gz WCSSTLFTMNJOGN-KWQFWETISA-N 0 1 242.388 2.427 20 0 BEADMN CCC[C@@H]1CN(CCSCC)CCO1 ZINC000132168693 325202444 /nfs/dbraw/zinc/20/24/44/325202444.db2.gz NDEZLIXUXBSEFF-LLVKDONJSA-N 0 1 217.378 2.240 20 0 BEADMN COCC[N@@H+](C[C@H](O)CC1CCCC1)C1CC1 ZINC000232143607 357647294 /nfs/dbraw/zinc/64/72/94/357647294.db2.gz RBFLDLDVSPCHML-CQSZACIVSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232142967 357647825 /nfs/dbraw/zinc/64/78/25/357647825.db2.gz BOTKGAHASUZEDZ-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@H]1CN(C[C@@H](O)CC2CCCC2)CCO1 ZINC000232142967 357647830 /nfs/dbraw/zinc/64/78/30/357647830.db2.gz BOTKGAHASUZEDZ-KBPBESRZSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189852919 357674235 /nfs/dbraw/zinc/67/42/35/357674235.db2.gz KMPHANQECOBVDW-PWSUYJOCSA-N 0 1 240.372 2.359 20 0 BEADMN CCCN(C)CC(=O)N(CC)c1ccccc1 ZINC000063761722 357717562 /nfs/dbraw/zinc/71/75/62/357717562.db2.gz NBLLULBTKRHALP-UHFFFAOYSA-N 0 1 234.343 2.381 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NCc2ncn(C)n2)C1 ZINC000232727631 357680771 /nfs/dbraw/zinc/68/07/71/357680771.db2.gz MFYVUYCTOKTTAS-NEPJUHHUSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@H]1CCN1Cc1cc(C(=O)OC)oc1C ZINC000583240276 357686014 /nfs/dbraw/zinc/68/60/14/357686014.db2.gz VFZMEEJUYUGLQL-LLVKDONJSA-N 0 1 237.299 2.359 20 0 BEADMN CCCN(CCSC)[C@H](CC)C(=O)OCC ZINC000190346741 357702373 /nfs/dbraw/zinc/70/23/73/357702373.db2.gz HNFQHGXMOXNOLZ-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN CCN(C)c1ccc(CNCc2ccoc2)cn1 ZINC000190851545 357727988 /nfs/dbraw/zinc/72/79/88/357727988.db2.gz HJBKUTQRSJTBHB-UHFFFAOYSA-N 0 1 245.326 2.421 20 0 BEADMN C[C@H](NCc1ncccn1)[C@H]1CC1(C)C ZINC000397841675 357730165 /nfs/dbraw/zinc/73/01/65/357730165.db2.gz YKIUZEQBGDVWJA-VHSXEESVSA-N 0 1 205.305 2.001 20 0 BEADMN C[C@@H](NCc1ncccn1)[C@@H]1CC1(C)C ZINC000397841676 357730324 /nfs/dbraw/zinc/73/03/24/357730324.db2.gz YKIUZEQBGDVWJA-ZJUUUORDSA-N 0 1 205.305 2.001 20 0 BEADMN CC[C@@H](C(=O)OC(C)(C)C)N(CC)CC ZINC000191915015 357804042 /nfs/dbraw/zinc/80/40/42/357804042.db2.gz RTVVNDQTIVBNKX-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN CC(C)CN(Cc1ncccn1)C(C)C ZINC000191942216 357806483 /nfs/dbraw/zinc/80/64/83/357806483.db2.gz FMJRNPFCBDMHII-UHFFFAOYSA-N 0 1 207.321 2.343 20 0 BEADMN COc1ccc(Cl)c(CN(C)C[C@@H](C)O)c1 ZINC000192040507 357814622 /nfs/dbraw/zinc/81/46/22/357814622.db2.gz SWTQNXCVQMWJPB-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN CCc1cnc(CNC[C@@H]2CC[C@@H](C)O2)s1 ZINC000234223895 357787555 /nfs/dbraw/zinc/78/75/55/357787555.db2.gz XIKAQHDOGLDSRT-ZJUUUORDSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@@H](O)CCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639929541 357890905 /nfs/dbraw/zinc/89/09/05/357890905.db2.gz NOMUSYBTLDDRCN-ZYHUDNBSSA-N 0 1 223.316 2.433 20 0 BEADMN Cc1csc(CN2CC[C@@H](C)C[C@H]2CO)n1 ZINC000639937378 357943224 /nfs/dbraw/zinc/94/32/24/357943224.db2.gz XKMAHQRHDKLZIP-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN COC(=O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000610511836 357964788 /nfs/dbraw/zinc/96/47/88/357964788.db2.gz NAWHHAYTOXJNML-GFCCVEGCSA-N 0 1 237.274 2.136 20 0 BEADMN CC[N@@H+](CCOc1ccccc1C(=O)[O-])C1CC1 ZINC000035732044 357998892 /nfs/dbraw/zinc/99/88/92/357998892.db2.gz UXTLOAFJLKGWLR-UHFFFAOYSA-N 0 1 249.310 2.248 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000036787678 358052773 /nfs/dbraw/zinc/05/27/73/358052773.db2.gz VEFJJLRZFRNNBH-VIFPVBQESA-N 0 1 225.288 2.454 20 0 BEADMN Cc1cccc(NCC2(CO)CCCC2)n1 ZINC000168709650 134246657 /nfs/dbraw/zinc/24/66/57/134246657.db2.gz JOCJZKXPJCFDDP-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccncc1Cl ZINC000546809333 325313000 /nfs/dbraw/zinc/31/30/00/325313000.db2.gz IXAXBTFYNWEFHB-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000037108852 358065327 /nfs/dbraw/zinc/06/53/27/358065327.db2.gz UOMNITCQXMJASR-LBPRGKRZSA-N 0 1 221.300 2.400 20 0 BEADMN C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000075842731 325317498 /nfs/dbraw/zinc/31/74/98/325317498.db2.gz QSWRCIPLJZVHOO-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1cc(C(=O)CN(C)CC2CC2)c(C)n1C ZINC000037903935 358097535 /nfs/dbraw/zinc/09/75/35/358097535.db2.gz CZCUKNDBDYEHER-UHFFFAOYSA-N 0 1 234.343 2.166 20 0 BEADMN CC(C)COCC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000583877335 358098129 /nfs/dbraw/zinc/09/81/29/358098129.db2.gz FOCSTXVALYCHPC-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN CC[C@]1(O)CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000640035180 358123242 /nfs/dbraw/zinc/12/32/42/358123242.db2.gz GWTWTWNOOPLLBE-YPMHNXCESA-N 0 1 238.331 2.281 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000170916009 134255336 /nfs/dbraw/zinc/25/53/36/134255336.db2.gz HODXMMSOKUALJU-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1ccccc1F ZINC000170916009 134255337 /nfs/dbraw/zinc/25/53/37/134255337.db2.gz HODXMMSOKUALJU-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN CCCC[C@@H](CC)Cn1cc(CNC)nn1 ZINC000085272708 491123166 /nfs/dbraw/zinc/12/31/66/491123166.db2.gz QMTWMDUQEOVWLD-LLVKDONJSA-N 0 1 224.352 2.214 20 0 BEADMN Cc1cc(CN2CCC(C)(F)CC2)ncn1 ZINC000640071360 358161112 /nfs/dbraw/zinc/16/11/12/358161112.db2.gz KNFRWLBTPZDVKB-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN COc1ccnc(CN2CCC(C)(F)CC2)c1 ZINC000640072547 358177796 /nfs/dbraw/zinc/17/77/96/358177796.db2.gz LAOKMUGHWVWOPN-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CN(Cc1nccn1C)CC12CCC(CC1)C2 ZINC000450626856 202215836 /nfs/dbraw/zinc/21/58/36/202215836.db2.gz WFKNOFUMZLFOLS-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@H]1CCN(Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC000450648823 202224275 /nfs/dbraw/zinc/22/42/75/202224275.db2.gz YQQFQVYJHFOMEP-NWDGAFQWSA-N 0 1 248.374 2.166 20 0 BEADMN CCC(=O)CCCN1CC[C@@](C)(F)C1 ZINC000450662317 202231582 /nfs/dbraw/zinc/23/15/82/202231582.db2.gz WLSARJKUJMBTRY-LLVKDONJSA-N 0 1 201.285 2.180 20 0 BEADMN Cc1nnc(CN(C)C[C@@H](C)C(C)(C)C)o1 ZINC000668519745 491127025 /nfs/dbraw/zinc/12/70/25/491127025.db2.gz BHZJOFUEOGPXDX-SECBINFHSA-N 0 1 225.336 2.492 20 0 BEADMN COC[C@H](NCCC[C@H](C)O)c1ccc(C)o1 ZINC000450725888 202245928 /nfs/dbraw/zinc/24/59/28/202245928.db2.gz JKSQWGFWKXLKEE-JQWIXIFHSA-N 0 1 241.331 2.026 20 0 BEADMN COc1ccnc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000450724065 202246704 /nfs/dbraw/zinc/24/67/04/202246704.db2.gz LDOLVOZMVBZMDI-MNOVXSKESA-N 0 1 235.331 2.154 20 0 BEADMN COc1ccnc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000450724066 202247566 /nfs/dbraw/zinc/24/75/66/202247566.db2.gz LDOLVOZMVBZMDI-QWRGUYRKSA-N 0 1 235.331 2.154 20 0 BEADMN C[C@@H]1CCN(CC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000077319774 325374558 /nfs/dbraw/zinc/37/45/58/325374558.db2.gz ZFHRZRICBLSQCS-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CN1CCC[C@H]1C(=O)N[C@H]1CCCCC1(C)C ZINC000134745219 325375107 /nfs/dbraw/zinc/37/51/07/325375107.db2.gz OOCJUHHEDZSZCL-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCN(CC(=O)OC(C)(C)C)[C@@H]1C ZINC000172856380 134269676 /nfs/dbraw/zinc/26/96/76/134269676.db2.gz BKHURSHYJGLSGI-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000042162819 358341663 /nfs/dbraw/zinc/34/16/63/358341663.db2.gz WXWORFWIJXAUEI-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN COc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000042163798 358341740 /nfs/dbraw/zinc/34/17/40/358341740.db2.gz NPWGFNVHEQVRAH-GFCCVEGCSA-N 0 1 249.310 2.134 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000042163614 358341882 /nfs/dbraw/zinc/34/18/82/358341882.db2.gz NXXRHCVOKCHRGI-CYBMUJFWSA-N 0 1 233.311 2.434 20 0 BEADMN C[C@H](NCC1(CO)CCCC1)c1cscn1 ZINC000229132398 358345797 /nfs/dbraw/zinc/34/57/97/358345797.db2.gz VXRFQMXTGMQCRL-JTQLQIEISA-N 0 1 240.372 2.346 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC1CCCC1 ZINC000229222787 358368592 /nfs/dbraw/zinc/36/85/92/358368592.db2.gz AWOKYJWXFDITAJ-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)c1F ZINC000229260369 358373042 /nfs/dbraw/zinc/37/30/42/358373042.db2.gz LQLAPBKUCRFJAS-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN C[C@@H]([N@@H+](C)CCCC(=O)[O-])C(C)(C)C ZINC000042771066 358358543 /nfs/dbraw/zinc/35/85/43/358358543.db2.gz SOJOHFNYPPCPED-SECBINFHSA-N 0 1 201.310 2.218 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000228747251 358385355 /nfs/dbraw/zinc/38/53/55/358385355.db2.gz AMTBDGAYSKFAMB-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCCCN(C)C(=O)c1cccc2n[nH]cc21 ZINC000042040272 358517409 /nfs/dbraw/zinc/51/74/09/358517409.db2.gz BCUNVHOQPUDNFE-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1CCCC1 ZINC000299972901 358421106 /nfs/dbraw/zinc/42/11/06/358421106.db2.gz AWOKYJWXFDITAJ-AVGNSLFASA-N 0 1 237.343 2.362 20 0 BEADMN C[C@@H](CO)CN[C@H](CF)c1ccc(F)cc1 ZINC000640155008 358438070 /nfs/dbraw/zinc/43/80/70/358438070.db2.gz OUKKHOICRHKPPT-BXKDBHETSA-N 0 1 229.270 2.054 20 0 BEADMN CC(C)[C@H](O)CN[C@@H](CF)c1ccc(F)cc1 ZINC000640154211 358438233 /nfs/dbraw/zinc/43/82/33/358438233.db2.gz CYCKQRSSSZBEGA-QWHCGFSZSA-N 0 1 243.297 2.443 20 0 BEADMN C[C@@H](O)CCN[C@@H](CF)c1ccc(F)cc1 ZINC000640155356 358439019 /nfs/dbraw/zinc/43/90/19/358439019.db2.gz UONFTJFYRMNUKJ-SKDRFNHKSA-N 0 1 229.270 2.197 20 0 BEADMN C[C@H](N[C@@H](C)c1ccoc1)C(=O)NC(C)(C)C ZINC000135093187 325392818 /nfs/dbraw/zinc/39/28/18/325392818.db2.gz JQCRZGDAVJJHJT-UWVGGRQHSA-N 0 1 238.331 2.233 20 0 BEADMN CC(C)CN(C)C(=O)c1cccc2c[nH]nc21 ZINC000045501831 358563276 /nfs/dbraw/zinc/56/32/76/358563276.db2.gz QFAFXZLWMCIRCU-UHFFFAOYSA-N 0 1 231.299 2.291 20 0 BEADMN CCn1ccnc1CNC1C(C)(C)C1(C)C ZINC000086239704 358531420 /nfs/dbraw/zinc/53/14/20/358531420.db2.gz GUTRHPJHFHIAJA-UHFFFAOYSA-N 0 1 221.348 2.427 20 0 BEADMN COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000048266372 358624083 /nfs/dbraw/zinc/62/40/83/358624083.db2.gz XLYYACLWAYNGHJ-UHFFFAOYSA-N 0 1 230.267 2.480 20 0 BEADMN COc1ccc(CCN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000130637625 358638742 /nfs/dbraw/zinc/63/87/42/358638742.db2.gz LMXAKVGUZDBIJM-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccc(CCN2C[C@H](C)OC[C@H]2C)cc1 ZINC000130637829 358638784 /nfs/dbraw/zinc/63/87/84/358638784.db2.gz LMXAKVGUZDBIJM-OLZOCXBDSA-N 0 1 249.354 2.347 20 0 BEADMN CC(C)c1ncc(CN(C)C[C@@H](C)O)s1 ZINC000130687156 358639826 /nfs/dbraw/zinc/63/98/26/358639826.db2.gz BGSMEMZWCAYLQQ-SECBINFHSA-N 0 1 228.361 2.079 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1cccs1 ZINC000129720853 358594644 /nfs/dbraw/zinc/59/46/44/358594644.db2.gz XTNVPJYMLCKZAZ-JTQLQIEISA-N 0 1 236.344 2.118 20 0 BEADMN CC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1cccs1 ZINC000129812633 358598021 /nfs/dbraw/zinc/59/80/21/358598021.db2.gz VOFYCMXXFNTSFE-VIFPVBQESA-N 0 1 236.344 2.416 20 0 BEADMN C[N@@H+](CCc1cccs1)C[C@@H]1CCCO1 ZINC000130843013 358649800 /nfs/dbraw/zinc/64/98/00/358649800.db2.gz ZHNCLSJMKRRCEC-NSHDSACASA-N 0 1 225.357 2.401 20 0 BEADMN C[N@@H+](CCc1cccs1)C[C@H]1CCCO1 ZINC000130843199 358650068 /nfs/dbraw/zinc/65/00/68/358650068.db2.gz ZHNCLSJMKRRCEC-LLVKDONJSA-N 0 1 225.357 2.401 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000130851837 358650153 /nfs/dbraw/zinc/65/01/53/358650153.db2.gz FIFUOFYSXBYAFX-UHIISALHSA-N 0 1 219.394 2.264 20 0 BEADMN O=C(Nc1nccs1)c1cccc2[nH]ncc21 ZINC000048708607 358651469 /nfs/dbraw/zinc/65/14/69/358651469.db2.gz DVPFOJBIEFJWLI-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN Cc1noc(C2CN(Cc3ccc(C)cc3)C2)n1 ZINC000049482652 358691019 /nfs/dbraw/zinc/69/10/19/358691019.db2.gz JAAJVMZMGJUOCC-UHFFFAOYSA-N 0 1 243.310 2.286 20 0 BEADMN CC(C)n1ccc(CN2CC[C@@]3(CCOC3)C2)n1 ZINC000176314103 134290915 /nfs/dbraw/zinc/29/09/15/134290915.db2.gz JWJKFBLRGATXCY-CQSZACIVSA-N 0 1 249.358 2.076 20 0 BEADMN Cc1cc(CNC2C[C@H](C)O[C@@H](C)C2)no1 ZINC000133381861 358752398 /nfs/dbraw/zinc/75/23/98/358752398.db2.gz LMDVFOYLLCATNR-IUCAKERBSA-N 0 1 224.304 2.029 20 0 BEADMN Cc1cccc(N(C)C(=O)c2ncccc2O)c1 ZINC000049990907 358707784 /nfs/dbraw/zinc/70/77/84/358707784.db2.gz MEDICPABLNMOHL-UHFFFAOYSA-N 0 1 242.278 2.372 20 0 BEADMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccoc1 ZINC000309453416 358708668 /nfs/dbraw/zinc/70/86/68/358708668.db2.gz NAYGAYFPFLLNFN-APPZFPTMSA-N 0 1 237.221 2.244 20 0 BEADMN COC(=O)[C@@H]1CCCN1Cc1cc(C)ccc1C ZINC000050048544 358710600 /nfs/dbraw/zinc/71/06/00/358710600.db2.gz VSQQFKMMDFXZOQ-AWEZNQCLSA-N 0 1 247.338 2.441 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1CCc1ccccc1 ZINC000050064146 358711271 /nfs/dbraw/zinc/71/12/71/358711271.db2.gz HNBUETMJYUQULC-AWEZNQCLSA-N 0 1 247.338 2.257 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(Cl)ccn1 ZINC000132881515 358737840 /nfs/dbraw/zinc/73/78/40/358737840.db2.gz KDKBQPGEMRGOES-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CCc1cnc(CN(C)C2CCOCC2)s1 ZINC000132951864 358740153 /nfs/dbraw/zinc/74/01/53/358740153.db2.gz DVKMWKKMBIMMKT-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN C[C@@H]1CCC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000134989891 358814939 /nfs/dbraw/zinc/81/49/39/358814939.db2.gz OYGQIPANNBWEGA-GHMZBOCLSA-N 0 1 234.347 2.069 20 0 BEADMN Cc1ccnc(NCCC(=O)NC(C)(C)C)c1 ZINC000135032974 358816951 /nfs/dbraw/zinc/81/69/51/358816951.db2.gz LBGQMKUEQLJXFS-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN C[C@H](NC(=O)CN(C)C)[C@@H](C)C1CCCCC1 ZINC000176680535 134293208 /nfs/dbraw/zinc/29/32/08/134293208.db2.gz VXPKDNDGNAWVMX-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000134345271 358787475 /nfs/dbraw/zinc/78/74/75/358787475.db2.gz VEYLZRGTOPZRIA-ONGXEEELSA-N 0 1 247.342 2.134 20 0 BEADMN CCc1nc(CNCC2(OC)CCC2)cs1 ZINC000134658822 358800085 /nfs/dbraw/zinc/80/00/85/358800085.db2.gz MGCMDNNBUTVFJL-UHFFFAOYSA-N 0 1 240.372 2.364 20 0 BEADMN CC(C)(C)OCCN1CCOCC12CCC2 ZINC000135544888 358844548 /nfs/dbraw/zinc/84/45/48/358844548.db2.gz PKFNFDDDCMEGRV-UHFFFAOYSA-N 0 1 227.348 2.056 20 0 BEADMN Cc1ccc(CNCCOCC(F)(F)F)o1 ZINC000055385954 358886727 /nfs/dbraw/zinc/88/67/27/358886727.db2.gz VSPPWSDCMMFANM-UHFFFAOYSA-N 0 1 237.221 2.257 20 0 BEADMN C[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CC1 ZINC000138439008 358904744 /nfs/dbraw/zinc/90/47/44/358904744.db2.gz PZQWUVSSUZBQSZ-VIFPVBQESA-N 0 1 243.310 2.020 20 0 BEADMN COC(=O)[C@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000177624893 134300705 /nfs/dbraw/zinc/30/07/05/134300705.db2.gz FNEHDLWTPJZEPG-VXGBXAGGSA-N 0 1 223.316 2.123 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1ccccc1 ZINC000060575160 358926790 /nfs/dbraw/zinc/92/67/90/358926790.db2.gz PYJHNSUQVWIBLR-LLVKDONJSA-N 0 1 220.316 2.355 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]2C(C)(C)O)s1 ZINC000180648640 366529180 /nfs/dbraw/zinc/52/91/80/366529180.db2.gz PUXWHJDARPVMBO-SNVBAGLBSA-N 0 1 240.372 2.187 20 0 BEADMN Cc1ncsc1CNCc1cccnc1C ZINC000105494085 359025622 /nfs/dbraw/zinc/02/56/22/359025622.db2.gz IEUHIGTVYLWGCL-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCN[C@@H](c1ccccc1)c1ccncn1 ZINC000069639698 359031358 /nfs/dbraw/zinc/03/13/58/359031358.db2.gz FSVCAWBGLHSFPB-ZDUSSCGKSA-N 0 1 213.284 2.176 20 0 BEADMN Cc1cc(CN[C@@H]2CCO[C@@H](C(C)C)C2)no1 ZINC000070360568 359050968 /nfs/dbraw/zinc/05/09/68/359050968.db2.gz HYLYMAKDMJVCOU-DGCLKSJQSA-N 0 1 238.331 2.276 20 0 BEADMN O=C1OCC[C@@H]1N1CCC[C@@]2(CC=CCC2)C1 ZINC000246439329 359086311 /nfs/dbraw/zinc/08/63/11/359086311.db2.gz WNPNLEBRBNHAOT-JSGCOSHPSA-N 0 1 235.327 2.124 20 0 BEADMN CCN1CCc2c(ccc(OC)c2OC)C1 ZINC000074449020 359119358 /nfs/dbraw/zinc/11/93/58/359119358.db2.gz UYPINXGASKOWGG-UHFFFAOYSA-N 0 1 221.300 2.082 20 0 BEADMN CN(C)c1ccccc1CN1CCOCC1(C)C ZINC000075648482 359187114 /nfs/dbraw/zinc/18/71/14/359187114.db2.gz KACPMLXETCIFHF-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN COC[C@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000246539298 359145475 /nfs/dbraw/zinc/14/54/75/359145475.db2.gz QEGWUCPJQAEJFA-ZFWWWQNUSA-N 0 1 249.354 2.269 20 0 BEADMN CCOC(=O)[C@H](C)N1CCCC[C@@H](SC)C1 ZINC000246863643 359171219 /nfs/dbraw/zinc/17/12/19/359171219.db2.gz PRMJVERDIFLEPZ-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN COCCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247520267 359229620 /nfs/dbraw/zinc/22/96/20/359229620.db2.gz NIEUTSCAWGXBFL-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN CCc1noc([C@H](C)N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000247520054 359230702 /nfs/dbraw/zinc/23/07/02/359230702.db2.gz ZBGPWTGVAGFWRU-DCAQKATOSA-N 0 1 235.331 2.425 20 0 BEADMN CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247692209 359240792 /nfs/dbraw/zinc/24/07/92/359240792.db2.gz WBVYDADXZODBKF-AAEUAGOBSA-N 0 1 205.301 2.468 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247201660 359200269 /nfs/dbraw/zinc/20/02/69/359200269.db2.gz CBQZVMLVHPSURX-YUELXQCFSA-N 0 1 249.354 2.219 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@H](CC(C)C)C1 ZINC000247445560 359220920 /nfs/dbraw/zinc/22/09/20/359220920.db2.gz IYXIXZPIOYBJAO-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@](C)(CC)C1 ZINC000247460141 359222162 /nfs/dbraw/zinc/22/21/62/359222162.db2.gz IHKQYGICXPBHAV-YPMHNXCESA-N 0 1 227.348 2.450 20 0 BEADMN COc1ncncc1C[N@H+]1CCCC2(CC2)CC1 ZINC000628480388 359318245 /nfs/dbraw/zinc/31/82/45/359318245.db2.gz XHCFTOVFZXFBEN-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN COc1ncncc1CN1CCCC2(CC2)CC1 ZINC000628480388 359318251 /nfs/dbraw/zinc/31/82/51/359318251.db2.gz XHCFTOVFZXFBEN-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN Oc1ccc([C@@H]2CCN(Cc3cc[nH]n3)C2)cc1 ZINC000628480780 359342199 /nfs/dbraw/zinc/34/21/99/359342199.db2.gz CHGAJQXFCXVRQK-GFCCVEGCSA-N 0 1 243.310 2.105 20 0 BEADMN CCOC(=O)CCCN1CC[C@@H](C)[C@H](F)C1 ZINC000611501653 359383671 /nfs/dbraw/zinc/38/36/71/359383671.db2.gz GKFGKRSIJQVGNQ-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN C[C@H]1c2ccccc2CN1C(=O)C1(N(C)C)CC1 ZINC000611780920 359447859 /nfs/dbraw/zinc/44/78/59/359447859.db2.gz UVPHRIFRGSUCMN-NSHDSACASA-N 0 1 244.338 2.184 20 0 BEADMN CC[C@]1(O)CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450779425 202264087 /nfs/dbraw/zinc/26/40/87/202264087.db2.gz NMGIURUKBLAZNF-HNNXBMFYSA-N 0 1 247.338 2.236 20 0 BEADMN CCc1noc(CN[C@H](C)[C@H](C)CC)n1 ZINC000308935560 491140647 /nfs/dbraw/zinc/14/06/47/491140647.db2.gz KSYPDMNQINOVBL-RKDXNWHRSA-N 0 1 211.309 2.156 20 0 BEADMN Cc1cnc(CN[C@@H]2CSC2(C)C)s1 ZINC000296750794 359514424 /nfs/dbraw/zinc/51/44/24/359514424.db2.gz KIPZOJOVMAXGKO-MRVPVSSYSA-N 0 1 228.386 2.435 20 0 BEADMN CCc1noc(CN[C@@H](C)[C@@H](C)CC)n1 ZINC000308935559 491140669 /nfs/dbraw/zinc/14/06/69/491140669.db2.gz KSYPDMNQINOVBL-IUCAKERBSA-N 0 1 211.309 2.156 20 0 BEADMN C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)o2)C1 ZINC000580418802 359534061 /nfs/dbraw/zinc/53/40/61/359534061.db2.gz QWKBMAPJERXSON-WDEREUQCSA-N 0 1 223.316 2.392 20 0 BEADMN c1cnc(CNCC2=CCCCC2)cn1 ZINC000379576559 359550219 /nfs/dbraw/zinc/55/02/19/359550219.db2.gz AGFWOGVWSJFXNY-UHFFFAOYSA-N 0 1 203.289 2.067 20 0 BEADMN Cc1nnc(CN[C@H]2CCCC2(C)C)o1 ZINC000191301153 359555394 /nfs/dbraw/zinc/55/53/94/359555394.db2.gz COZAPMWEHPEFPV-VIFPVBQESA-N 0 1 209.293 2.046 20 0 BEADMN Cc1nc(CNC2(C3CC3)CC2)cs1 ZINC000379662231 359575768 /nfs/dbraw/zinc/57/57/68/359575768.db2.gz RBSALPLKHHXDRT-UHFFFAOYSA-N 0 1 208.330 2.484 20 0 BEADMN C[C@@H](N[C@H]1CC12CCCC2)c1ncc[nH]1 ZINC000308975216 491141639 /nfs/dbraw/zinc/14/16/39/491141639.db2.gz GKZHILARTJSJLN-ZJUUUORDSA-N 0 1 205.305 2.393 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2cn(CC3CC3)nn2)C1 ZINC000450861493 202292145 /nfs/dbraw/zinc/29/21/45/202292145.db2.gz YOJAWDLMJMCJBP-FZMZJTMJSA-N 0 1 248.374 2.309 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000450831285 202279842 /nfs/dbraw/zinc/27/98/42/202279842.db2.gz SSOHDXNFPKUKMB-SDDRHHMPSA-N 0 1 227.348 2.243 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000380858696 359725820 /nfs/dbraw/zinc/72/58/20/359725820.db2.gz INEHOGMSCMHRKT-CMPLNLGQSA-N 0 1 227.348 2.465 20 0 BEADMN CCN(Cc1cn(CC2CC2)nn1)CC1CCC1 ZINC000450892418 202300590 /nfs/dbraw/zinc/30/05/90/202300590.db2.gz OBWGQZPFSOPPIX-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN CCC[C@@H](O)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000450976753 202323530 /nfs/dbraw/zinc/32/35/30/202323530.db2.gz DMOIULLRHVLCQY-DGCLKSJQSA-N 0 1 237.347 2.098 20 0 BEADMN CC(C)=CCN[C@](C)(CO)c1cccc(O)c1 ZINC000451037957 202333565 /nfs/dbraw/zinc/33/35/65/202333565.db2.gz MFGAGCZPQBCVSZ-CQSZACIVSA-N 0 1 235.327 2.156 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](CC)C2)n[nH]1 ZINC000132999382 491145194 /nfs/dbraw/zinc/14/51/94/491145194.db2.gz PTUNFHVWKBWDMQ-JTQLQIEISA-N 0 1 235.331 2.234 20 0 BEADMN C[C@@]1(F)CCCN(CCOCC2CC2)C1 ZINC000451111191 202353586 /nfs/dbraw/zinc/35/35/86/202353586.db2.gz DRFMUJGMVPMDDN-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2nccn2C)C2CC2)[C@@H](C)O1 ZINC000451165244 202367954 /nfs/dbraw/zinc/36/79/54/202367954.db2.gz KBCWQWJJRVKZHA-AAXDQBDMSA-N 0 1 249.358 2.027 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)C2CC2)[C@@H](C)O1 ZINC000451165247 202368092 /nfs/dbraw/zinc/36/80/92/202368092.db2.gz KBCWQWJJRVKZHA-VCDKRKBESA-N 0 1 249.358 2.027 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)C1CC2(CC2)C1 ZINC000612531276 359877992 /nfs/dbraw/zinc/87/79/92/359877992.db2.gz BMWPNCFKBWESJO-NSHDSACASA-N 0 1 245.326 2.094 20 0 BEADMN CC(C)OCCN1CCC[C@](C)(F)C1 ZINC000451124892 202359996 /nfs/dbraw/zinc/35/99/96/202359996.db2.gz YROVODALABWAND-NSHDSACASA-N 0 1 203.301 2.235 20 0 BEADMN CC(C)OCCN1CCC[C@@](C)(F)C1 ZINC000451124891 202361647 /nfs/dbraw/zinc/36/16/47/202361647.db2.gz YROVODALABWAND-LLVKDONJSA-N 0 1 203.301 2.235 20 0 BEADMN CN(C[C@@H]1CCCCC1(F)F)C(C)(C)C(N)=O ZINC000451136864 202362836 /nfs/dbraw/zinc/36/28/36/202362836.db2.gz QXOIQQNBEDKCKH-VIFPVBQESA-N 0 1 248.317 2.008 20 0 BEADMN CCOCCC[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000087325890 359907538 /nfs/dbraw/zinc/90/75/38/359907538.db2.gz CGRHGSIXPDVZKC-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H](F)C1 ZINC000451199430 202379838 /nfs/dbraw/zinc/37/98/38/202379838.db2.gz RENSMGTYDJVZMF-KWCYVHTRSA-N 0 1 237.318 2.195 20 0 BEADMN COC[C@]1(C)CCN([C@H](C)c2ncc(C)o2)C1 ZINC000451203314 202380135 /nfs/dbraw/zinc/38/01/35/202380135.db2.gz PMRBRBZYRMUDDB-DGCLKSJQSA-N 0 1 238.331 2.402 20 0 BEADMN CCC1(NCc2nc(C)no2)CCCC1 ZINC000451280212 202393757 /nfs/dbraw/zinc/39/37/57/202393757.db2.gz ZGWYMZWVORDAFL-UHFFFAOYSA-N 0 1 209.293 2.190 20 0 BEADMN CC[N@@H+](CCCOc1ccccc1C)C1COC1 ZINC000451286872 202394323 /nfs/dbraw/zinc/39/43/23/202394323.db2.gz QAECOKNNVQRCMY-UHFFFAOYSA-N 0 1 249.354 2.485 20 0 BEADMN CCN(CCCOc1ccccc1C)C1COC1 ZINC000451286872 202394325 /nfs/dbraw/zinc/39/43/25/202394325.db2.gz QAECOKNNVQRCMY-UHFFFAOYSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC[C@@H](CC2CC2)C1 ZINC000578664228 366623287 /nfs/dbraw/zinc/62/32/87/366623287.db2.gz GNUHNWIQZPKOFC-JQWIXIFHSA-N 0 1 246.358 2.072 20 0 BEADMN CC(C)c1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000088753794 359975005 /nfs/dbraw/zinc/97/50/05/359975005.db2.gz FIJZONWUJHFJSL-UHFFFAOYSA-N 0 1 243.310 2.463 20 0 BEADMN CSc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000088753469 359975723 /nfs/dbraw/zinc/97/57/23/359975723.db2.gz RWMSKGJWMGXDKD-UHFFFAOYSA-N 0 1 247.323 2.062 20 0 BEADMN COc1ccc(CNCc2scnc2C)cn1 ZINC000088868904 359981419 /nfs/dbraw/zinc/98/14/19/359981419.db2.gz ZFOIEMKXMDCCIF-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN CCCCN(CCO)Cc1cncn1C(C)C ZINC000090237127 360067149 /nfs/dbraw/zinc/06/71/49/360067149.db2.gz WYSVDKCRLDUBCF-UHFFFAOYSA-N 0 1 239.363 2.058 20 0 BEADMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnc[nH]2)C12CCC2 ZINC000092040887 360147228 /nfs/dbraw/zinc/14/72/28/360147228.db2.gz SJCQEVKPFDQNBR-STQMWFEESA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH]cn2)C12CCC2 ZINC000092040887 360147231 /nfs/dbraw/zinc/14/72/31/360147231.db2.gz SJCQEVKPFDQNBR-STQMWFEESA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@H]1C[C@H](N(C)Cc2c[nH]cn2)C12CCC2 ZINC000092040887 360147239 /nfs/dbraw/zinc/14/72/39/360147239.db2.gz SJCQEVKPFDQNBR-STQMWFEESA-N 0 1 249.358 2.189 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)c3ccon3)ccc12 ZINC000091825042 360131864 /nfs/dbraw/zinc/13/18/64/360131864.db2.gz XAEFOTFFJRYOKT-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Cc1noc([C@@H]2CCCN(Cc3ccco3)C2)n1 ZINC000091833039 360131973 /nfs/dbraw/zinc/13/19/73/360131973.db2.gz RDSPVLZAYUCWJH-LLVKDONJSA-N 0 1 247.298 2.351 20 0 BEADMN CC(C)(F)CNCc1ccnn1-c1ccccn1 ZINC000631188638 360133211 /nfs/dbraw/zinc/13/32/11/360133211.db2.gz HNTQEBKTALEFEP-UHFFFAOYSA-N 0 1 248.305 2.105 20 0 BEADMN CC1(C)C(CNc2ncnc3[nH]cnc32)C1(C)C ZINC000092817432 360201650 /nfs/dbraw/zinc/20/16/50/360201650.db2.gz DUVJMIWDKZXVTR-UHFFFAOYSA-N 0 1 245.330 2.447 20 0 BEADMN CCn1cc(CN2C[C@@H](C)S[C@@H](C)C2)cn1 ZINC000092540453 360177844 /nfs/dbraw/zinc/17/78/44/360177844.db2.gz RXUPVBUEMXFEAH-PHIMTYICSA-N 0 1 239.388 2.229 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CO)o2)C[C@@H](C)S1 ZINC000092540879 360178927 /nfs/dbraw/zinc/17/89/27/360178927.db2.gz FKKAMLKWRNJBHX-NXEZZACHSA-N 0 1 241.356 2.098 20 0 BEADMN c1cnn([C@@H]2CCCN(Cc3ccco3)C2)c1 ZINC000092966979 360207503 /nfs/dbraw/zinc/20/75/03/360207503.db2.gz DFRHDMSERBIAEF-GFCCVEGCSA-N 0 1 231.299 2.313 20 0 BEADMN CC(C)C[C@H]1COCCN1CC1=CCCOC1 ZINC000093340288 360233658 /nfs/dbraw/zinc/23/36/58/360233658.db2.gz ZMWVDUTWSJUTOG-AWEZNQCLSA-N 0 1 239.359 2.080 20 0 BEADMN Cc1ncccc1CN(C)CCOCC1CC1 ZINC000093818657 360280180 /nfs/dbraw/zinc/28/01/80/360280180.db2.gz VEXOUZLQORRERO-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CCCn1cc(C(=O)c2cc(F)ccc2O)cn1 ZINC000614080507 363718600 /nfs/dbraw/zinc/71/86/00/363718600.db2.gz COFFQBCCJAZFAD-UHFFFAOYSA-N 0 1 248.257 2.369 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(CN)o1 ZINC000094564331 360313058 /nfs/dbraw/zinc/31/30/58/360313058.db2.gz YOZHGHOOMHZJCF-NXEZZACHSA-N 0 1 236.315 2.141 20 0 BEADMN CCc1ccc(CN(C)[C@H](C)C(=O)N(C)C)cc1 ZINC000096954034 360357493 /nfs/dbraw/zinc/35/74/93/360357493.db2.gz ZSAVGSJYTNJOFO-GFCCVEGCSA-N 0 1 248.370 2.158 20 0 BEADMN CCc1ccc(CN(C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000096954033 360357668 /nfs/dbraw/zinc/35/76/68/360357668.db2.gz ZSAVGSJYTNJOFO-LBPRGKRZSA-N 0 1 248.370 2.158 20 0 BEADMN Cc1cccc(C)c1NC(=O)N1CC(N(C)C)C1 ZINC000059753406 360422420 /nfs/dbraw/zinc/42/24/20/360422420.db2.gz DVORMERXNIUJID-UHFFFAOYSA-N 0 1 247.342 2.081 20 0 BEADMN CCC[C@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000138333588 360572353 /nfs/dbraw/zinc/57/23/53/360572353.db2.gz OKMYDEXCFZBWHT-JTQLQIEISA-N 0 1 245.326 2.410 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N(C1CC1)C1CC1 ZINC000628820077 360675520 /nfs/dbraw/zinc/67/55/20/360675520.db2.gz ZBNBNXXPPQHAOO-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN CCC(F)(F)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000628844043 360696742 /nfs/dbraw/zinc/69/67/42/360696742.db2.gz WOTATLJRPYLNED-NXEZZACHSA-N 0 1 248.317 2.021 20 0 BEADMN C/C=C/CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000629039480 360829790 /nfs/dbraw/zinc/82/97/90/360829790.db2.gz STZDHNNWEWHXQM-ONEGZZNKSA-N 0 1 247.220 2.043 20 0 BEADMN C[C@@H]1[C@H](C)SCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000579016029 366684149 /nfs/dbraw/zinc/68/41/49/366684149.db2.gz LJEJPLVPWLXQMX-ZJUUUORDSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@@H]1C[C@@H]1CSc1nc(C2CC2)n[nH]1 ZINC000629112831 360882081 /nfs/dbraw/zinc/88/20/81/360882081.db2.gz FCKXNYANPFZNEH-HTRCEHHLSA-N 0 1 209.318 2.430 20 0 BEADMN C[C@@H]1C[C@@H]1CSc1n[nH]c(C2CC2)n1 ZINC000629112831 360882085 /nfs/dbraw/zinc/88/20/85/360882085.db2.gz FCKXNYANPFZNEH-HTRCEHHLSA-N 0 1 209.318 2.430 20 0 BEADMN Cc1nc(CNC2CC(OC(C)C)C2)cs1 ZINC000309609865 491152420 /nfs/dbraw/zinc/15/24/20/491152420.db2.gz ZRQDXBNZKNPBTO-UHFFFAOYSA-N 0 1 240.372 2.497 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1C[C@H]1C ZINC000629360220 361007646 /nfs/dbraw/zinc/00/76/46/361007646.db2.gz NIUOBTZHOCFYML-GHMZBOCLSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1C[C@@H]1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000629364384 361007701 /nfs/dbraw/zinc/00/77/01/361007701.db2.gz NEJZIRLWVCEHDG-GXFFZTMASA-N 0 1 245.322 2.399 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC1CC(C)(C)C1 ZINC000629362255 361011499 /nfs/dbraw/zinc/01/14/99/361011499.db2.gz RANGECSRRJVXOX-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000629363732 361014021 /nfs/dbraw/zinc/01/40/21/361014021.db2.gz IBLHXHPLWSZRJS-SCDSUCTJSA-N 0 1 245.322 2.326 20 0 BEADMN CC[C@@H](CC(F)F)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000629370515 361018061 /nfs/dbraw/zinc/01/80/61/361018061.db2.gz YCPXKFQIJZHGKP-YUMQZZPRSA-N 0 1 223.263 2.073 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CC1=CCCC1 ZINC000629366012 361019938 /nfs/dbraw/zinc/01/99/38/361019938.db2.gz IHNFALHSFMPOSD-CYBMUJFWSA-N 0 1 247.294 2.374 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CCC2)[C@H]2CCC[C@H]21 ZINC000629372938 361022192 /nfs/dbraw/zinc/02/21/92/361022192.db2.gz FOPLBHQVTBJGNQ-XQQFMLRXSA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCCC2(CC2)CC1 ZINC000629377676 361026966 /nfs/dbraw/zinc/02/69/66/361026966.db2.gz KYQWZOXHNQKGSV-LLVKDONJSA-N 0 1 223.316 2.116 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000629483952 361090351 /nfs/dbraw/zinc/09/03/51/361090351.db2.gz DCXRYCVCUZDRSN-OUAUKWLOSA-N 0 1 213.321 2.074 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C(C)C)C1 ZINC000629484405 361090358 /nfs/dbraw/zinc/09/03/58/361090358.db2.gz KFFCQDHUULXEIY-RYUDHWBXSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H]1OCC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424190756 200883803 /nfs/dbraw/zinc/88/38/03/200883803.db2.gz GLDRWPNIPCRLFX-DEQVHRJGSA-N 0 1 235.302 2.391 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@H]1CC12CCC2 ZINC000640380229 361189386 /nfs/dbraw/zinc/18/93/86/361189386.db2.gz QCRKDGJJMGPCON-MRVPVSSYSA-N 0 1 242.282 2.087 20 0 BEADMN C[C@H]1CC[C@H](C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000640380130 361189409 /nfs/dbraw/zinc/18/94/09/361189409.db2.gz NRWILKGJNTYBPV-IUCAKERBSA-N 0 1 244.298 2.333 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640380611 361189701 /nfs/dbraw/zinc/18/97/01/361189701.db2.gz UZJBEJGIORDIEX-DTWKUNHWSA-N 0 1 244.298 2.189 20 0 BEADMN CC[C@@H](C)CC(=O)Nc1cccc2[nH]nnc21 ZINC000640380431 361189939 /nfs/dbraw/zinc/18/99/39/361189939.db2.gz RSBSTDARHHNYSS-MRVPVSSYSA-N 0 1 232.287 2.333 20 0 BEADMN O=C(CCCC1CC1)Nc1cccc2[nH]nnc21 ZINC000640378748 361190960 /nfs/dbraw/zinc/19/09/60/361190960.db2.gz GEULOVQURHDELX-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@H]1CC=CCC1 ZINC000640381065 361192723 /nfs/dbraw/zinc/19/27/23/361192723.db2.gz GHDYUNBYOLGOLX-VIFPVBQESA-N 0 1 242.282 2.253 20 0 BEADMN CC[C@@H](CCO)N[C@H](C)c1csc(C)n1 ZINC000158862781 361213820 /nfs/dbraw/zinc/21/38/20/361213820.db2.gz CHHPGDXCGFGFJT-SCZZXKLOSA-N 0 1 228.361 2.263 20 0 BEADMN Cc1nnsc1CN1CCCC[C@H]1C ZINC000579070143 366702067 /nfs/dbraw/zinc/70/20/67/366702067.db2.gz YIUOCQDTSOQUCG-MRVPVSSYSA-N 0 1 211.334 2.221 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)C(C)(C)c1ccccc1 ZINC000171074218 361317917 /nfs/dbraw/zinc/31/79/17/361317917.db2.gz UZGSKIVMUGJCEH-GFCCVEGCSA-N 0 1 248.370 2.031 20 0 BEADMN Cc1csc(CN[C@H](C)[C@H]2CCCCO2)n1 ZINC000309772888 491156210 /nfs/dbraw/zinc/15/62/10/491156210.db2.gz KYNOCEATPCPXAO-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000579025920 366699479 /nfs/dbraw/zinc/69/94/79/366699479.db2.gz MZGDSKNYMWMLQY-GHMOJZLGSA-N 0 1 237.343 2.218 20 0 BEADMN CC[C@]1(O)CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000428425586 201015049 /nfs/dbraw/zinc/01/50/49/201015049.db2.gz MATCPWNJWKUNKA-AWEZNQCLSA-N 0 1 237.318 2.481 20 0 BEADMN CCc1nc(C)c(CN(C)CCCOC)o1 ZINC000428471377 201021337 /nfs/dbraw/zinc/02/13/37/201021337.db2.gz XGLPLXPLHNXGMZ-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN Cc1nc(C(C)C)oc1CN(CCO)C(C)C ZINC000428474145 201021908 /nfs/dbraw/zinc/02/19/08/201021908.db2.gz QQCYHHINFYJJJG-UHFFFAOYSA-N 0 1 240.347 2.309 20 0 BEADMN CO[C@@H]1CN([C@H](C)c2cnc(C)cn2)CC[C@H]1C ZINC000428495800 201026163 /nfs/dbraw/zinc/02/61/63/201026163.db2.gz OVHFDQJZPBCNSH-MPKXVKKWSA-N 0 1 249.358 2.203 20 0 BEADMN COC1CCC(CCNCc2cocn2)CC1 ZINC000428869122 201048271 /nfs/dbraw/zinc/04/82/71/201048271.db2.gz UAUAKSNLNVSGEU-UHFFFAOYSA-N 0 1 238.331 2.360 20 0 BEADMN CCc1nc(C)c(CN[C@]2(C)CCO[C@H]2C)o1 ZINC000428940689 201049311 /nfs/dbraw/zinc/04/93/11/201049311.db2.gz RJBVJZUKEKEDSP-GXFFZTMASA-N 0 1 238.331 2.203 20 0 BEADMN CCCc1c(C)[nH]n(-c2ccncc2)c1=O ZINC000614190473 363751422 /nfs/dbraw/zinc/75/14/22/363751422.db2.gz WTLZIWBVCYDQST-LLVKDONJSA-N 0 1 217.272 2.220 20 0 BEADMN CCC[C@H](C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640606051 361329672 /nfs/dbraw/zinc/32/96/72/361329672.db2.gz RRJQVZXZDNTIHN-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCc1nc(C)c(CN(C)[C@H]2C[C@@H](OC)C2)o1 ZINC000428965519 201051436 /nfs/dbraw/zinc/05/14/36/201051436.db2.gz SVMRBZUFTMFTTC-PHIMTYICSA-N 0 1 238.331 2.155 20 0 BEADMN CC(C)c1nc(CN(C)[C@@H]2CC2(C)C)n[nH]1 ZINC000428946566 201051839 /nfs/dbraw/zinc/05/18/39/201051839.db2.gz KIRBQNZCRCXQQR-SECBINFHSA-N 0 1 222.336 2.158 20 0 BEADMN CC(C)c1nc(CN(C)[C@H]2CC2(C)C)n[nH]1 ZINC000428946567 201052549 /nfs/dbraw/zinc/05/25/49/201052549.db2.gz KIRBQNZCRCXQQR-VIFPVBQESA-N 0 1 222.336 2.158 20 0 BEADMN CCc1nc(C)c(CN(CC)C[C@@H](C)OC)o1 ZINC000428985908 201054552 /nfs/dbraw/zinc/05/45/52/201054552.db2.gz XIKKCLUCCTYDBV-SNVBAGLBSA-N 0 1 240.347 2.402 20 0 BEADMN CC[C@@H]1CN([C@@H](C)c2cnc(C)cn2)CCCO1 ZINC000428970773 201056021 /nfs/dbraw/zinc/05/60/21/201056021.db2.gz UXNWHMLEVLZSFF-QWHCGFSZSA-N 0 1 249.358 2.347 20 0 BEADMN C[C@@H](CC1CCC1)N[C@@H](C)c1ncn(C)n1 ZINC000309811323 491157077 /nfs/dbraw/zinc/15/70/77/491157077.db2.gz ZCLRUEHKHBVIRF-UWVGGRQHSA-N 0 1 222.336 2.044 20 0 BEADMN CCCCN(CC)C(=O)CN1CC[C@H]1CC ZINC000429281091 201090930 /nfs/dbraw/zinc/09/09/30/201090930.db2.gz UAWRERPRXZOABZ-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN COCC(C)(C)N(C)Cc1cn2ccccc2n1 ZINC000429228962 201080390 /nfs/dbraw/zinc/08/03/90/201080390.db2.gz VBXCBNLVPUGYCS-UHFFFAOYSA-N 0 1 247.342 2.191 20 0 BEADMN CN(C)C1(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000614288997 363781765 /nfs/dbraw/zinc/78/17/65/363781765.db2.gz WCCGXWYMWBOOCB-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN CCN(CC(=O)N(C)[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000429251454 201083780 /nfs/dbraw/zinc/08/37/80/201083780.db2.gz BHMLJPDWWNXQIS-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C(=O)OC)N1CCC[C@@H](CSC)C1 ZINC000429290958 201095146 /nfs/dbraw/zinc/09/51/46/201095146.db2.gz HCRLDJQQGGDFFB-GHMZBOCLSA-N 0 1 245.388 2.013 20 0 BEADMN CCCCCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000429556944 201114674 /nfs/dbraw/zinc/11/46/74/201114674.db2.gz FJUNZVWIJGRNDN-RISCZKNCSA-N 0 1 217.378 2.020 20 0 BEADMN CCCCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000429556941 201115851 /nfs/dbraw/zinc/11/58/51/201115851.db2.gz FJUNZVWIJGRNDN-BXUZGUMPSA-N 0 1 217.378 2.020 20 0 BEADMN CCCCCN1CC[C@H](C)[S@](=O)CC1 ZINC000429556946 201116695 /nfs/dbraw/zinc/11/66/95/201116695.db2.gz FJUNZVWIJGRNDN-SMDDNHRTSA-N 0 1 217.378 2.020 20 0 BEADMN CC/C=C/CCN1CC[C@H](C)[S@@](=O)CC1 ZINC000429568372 201117702 /nfs/dbraw/zinc/11/77/02/201117702.db2.gz NWTPYFRRGLJROH-KALODWDDSA-N 0 1 229.389 2.186 20 0 BEADMN CC[C@H](C)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000181140964 366789382 /nfs/dbraw/zinc/78/93/82/366789382.db2.gz NIPHEKGSFRTZHR-VHSXEESVSA-N 0 1 238.297 2.353 20 0 BEADMN CC/C=C\CCN1CC[C@H](C)[S@@](=O)CC1 ZINC000429568370 201119635 /nfs/dbraw/zinc/11/96/35/201119635.db2.gz NWTPYFRRGLJROH-JGYVVBCTSA-N 0 1 229.389 2.186 20 0 BEADMN Cc1cc(CN[C@H](C)c2n[nH]c(C(C)C)n2)no1 ZINC000429672302 201124079 /nfs/dbraw/zinc/12/40/79/201124079.db2.gz QTWHMXHQOIVZSS-SECBINFHSA-N 0 1 249.318 2.075 20 0 BEADMN Cc1cnc(CN([C@@H](C)CO)C2CCCC2)o1 ZINC000429627975 201124201 /nfs/dbraw/zinc/12/42/01/201124201.db2.gz OWNAEXRIICIDJL-JTQLQIEISA-N 0 1 238.331 2.108 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CC[C@H](C)C2)nn1C ZINC000429566280 201113757 /nfs/dbraw/zinc/11/37/57/201113757.db2.gz JKJSDHKGOYJTAS-GXFFZTMASA-N 0 1 221.348 2.349 20 0 BEADMN CCCc1cccc(CN(CCC)CC(N)=O)c1 ZINC000430126898 201146432 /nfs/dbraw/zinc/14/64/32/201146432.db2.gz ONBKFTSXNPFTBU-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN NC1(c2nc(C3CCCC3)no2)CCCC1 ZINC000041032703 181335776 /nfs/dbraw/zinc/33/57/76/181335776.db2.gz GBJLXKFNDUUZBQ-UHFFFAOYSA-N 0 1 221.304 2.455 20 0 BEADMN NC1(c2nc(Cc3ccccc3)no2)CCCC1 ZINC000041032657 181334971 /nfs/dbraw/zinc/33/49/71/181334971.db2.gz SBILWJHKBCCSQP-UHFFFAOYSA-N 0 1 243.310 2.388 20 0 BEADMN CCc1noc([C@H](C)N[C@H]2CCC[C@@H]2C)n1 ZINC000381567971 361481422 /nfs/dbraw/zinc/48/14/22/361481422.db2.gz VMRIHINHRVHHSS-GUBZILKMSA-N 0 1 223.320 2.471 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccc(F)cc1F ZINC000309965326 491158623 /nfs/dbraw/zinc/15/86/23/491158623.db2.gz NCRGKCDZYLOFFD-RYUDHWBXSA-N 0 1 227.254 2.232 20 0 BEADMN Cc1cc(C(=O)N2CCCC3(CC3)CC2)n[nH]1 ZINC000629651220 361556166 /nfs/dbraw/zinc/55/61/66/361556166.db2.gz CSYOMVSQWSJAIL-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN Cc1ncc(C(=O)N2CCCC3(CC3)CC2)[nH]1 ZINC000629645116 361533819 /nfs/dbraw/zinc/53/38/19/361533819.db2.gz BSOVPYMANHUEJZ-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN CC[C@H]1CCCN1Cc1ncnn1C(C)C ZINC000434542123 201227407 /nfs/dbraw/zinc/22/74/07/201227407.db2.gz JDLWRTYKEXHARF-NSHDSACASA-N 0 1 222.336 2.233 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1F ZINC000163791033 361577381 /nfs/dbraw/zinc/57/73/81/361577381.db2.gz LKSPIIXRPQPPRP-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)[C@@H]1CCCN1C ZINC000434481085 201222097 /nfs/dbraw/zinc/22/20/97/201222097.db2.gz PBGWVQXRYUJUTP-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCc1noc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000153268909 201228803 /nfs/dbraw/zinc/22/88/03/201228803.db2.gz NRQDMCSYTRRYFP-PHIMTYICSA-N 0 1 235.331 2.254 20 0 BEADMN CC[C@@H](CC(=O)N1C[C@@H](C)N[C@@H](C)C1)C(C)C ZINC000153246281 201230248 /nfs/dbraw/zinc/23/02/48/201230248.db2.gz KHMHIBZFBSNAMX-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN Cn1cc(CN2CC[C@H](CC(C)(C)C)C2)nn1 ZINC000448554635 201257208 /nfs/dbraw/zinc/25/72/08/201257208.db2.gz MCJUIJRWJBMBMH-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cccc2n[nH]cc21 ZINC000066646462 361642400 /nfs/dbraw/zinc/64/24/00/361642400.db2.gz ZYFOZQGSEGBEKS-SECBINFHSA-N 0 1 231.299 2.433 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccs1 ZINC000070618229 361645101 /nfs/dbraw/zinc/64/51/01/361645101.db2.gz WMLNSLLSMQRUHU-NSHDSACASA-N 0 1 225.313 2.187 20 0 BEADMN c1cncc(-c2cccc([C@H]3COCCN3)c2)c1 ZINC000629711265 361647500 /nfs/dbraw/zinc/64/75/00/361647500.db2.gz ALBKKCGPMUOVHJ-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN CCN1C[C@@H](C)N(c2ncc(C)s2)C[C@H]1C ZINC000436414503 201324935 /nfs/dbraw/zinc/32/49/35/201324935.db2.gz WCIZCCKBGZSQLA-NXEZZACHSA-N 0 1 239.388 2.370 20 0 BEADMN O=C(N[C@H]1CCC[C@H]1F)c1ccc(F)cc1O ZINC000436775717 201336226 /nfs/dbraw/zinc/33/62/26/201336226.db2.gz XSFJCQPMBKHXHK-ZJUUUORDSA-N 0 1 241.237 2.152 20 0 BEADMN OC[C@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437591113 201361536 /nfs/dbraw/zinc/36/15/36/201361536.db2.gz OCFPMUOALSPRGH-LLVKDONJSA-N 0 1 248.301 2.264 20 0 BEADMN C[C@H](O)C(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328251062 363865459 /nfs/dbraw/zinc/86/54/59/363865459.db2.gz SOCZZAIAPBVUCG-QMMMGPOBSA-N 0 1 243.734 2.295 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(Cc2nccc(N)n2)C1 ZINC000452075573 202525551 /nfs/dbraw/zinc/52/55/51/202525551.db2.gz IEEKUPNXNOAMNU-NSHDSACASA-N 0 1 248.374 2.147 20 0 BEADMN Cc1cc(CN[C@H](CO)C2CCCCC2)no1 ZINC000541983734 364057088 /nfs/dbraw/zinc/05/70/88/364057088.db2.gz RZKINMZWKAOKHN-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN O=C(c1n[nH]cc1C(F)(F)F)N1CCCCC1 ZINC000630388540 364104023 /nfs/dbraw/zinc/10/40/23/364104023.db2.gz JBSWZMWPIUVFBC-UHFFFAOYSA-N 0 1 247.220 2.055 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000170753113 364161557 /nfs/dbraw/zinc/16/15/57/364161557.db2.gz OAHPIGBYIMVPPI-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H](N[C@@H](C)c1cccnc1)[C@@H](O)C(F)(F)F ZINC000631718983 364178350 /nfs/dbraw/zinc/17/83/50/364178350.db2.gz KRTLGQLIDNAGQC-QXFUBDJGSA-N 0 1 248.248 2.044 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cccnc1 ZINC000631718982 364178768 /nfs/dbraw/zinc/17/87/68/364178768.db2.gz KRTLGQLIDNAGQC-OYNCUSHFSA-N 0 1 248.248 2.044 20 0 BEADMN COc1ccccc1N(C)C(=O)c1cn[nH]c1C ZINC000068181122 370750931 /nfs/dbraw/zinc/75/09/31/370750931.db2.gz NSVRCWZQSOFFAF-UHFFFAOYSA-N 0 1 245.282 2.003 20 0 BEADMN c1c[nH]c(CN2CCc3ccccc3CC2)n1 ZINC000116300575 370752629 /nfs/dbraw/zinc/75/26/29/370752629.db2.gz GYRLZEAOWAYBOK-UHFFFAOYSA-N 0 1 227.311 2.011 20 0 BEADMN NCc1nccn1CCC1=CCCCC1 ZINC000630583282 364284715 /nfs/dbraw/zinc/28/47/15/364284715.db2.gz CSANRKSTHFYUIZ-UHFFFAOYSA-N 0 1 205.305 2.232 20 0 BEADMN NCc1nccn1CC[C@H]1CCc2ccccc21 ZINC000630583531 364286160 /nfs/dbraw/zinc/28/61/60/364286160.db2.gz HXUUHWFPOAUSKZ-CYBMUJFWSA-N 0 1 241.338 2.462 20 0 BEADMN Cc1cccc(Cl)c1Cn1ccnc1CN ZINC000630584403 364290963 /nfs/dbraw/zinc/29/09/63/364290963.db2.gz VKIKDPXZIQETQC-UHFFFAOYSA-N 0 1 235.718 2.352 20 0 BEADMN C[C@@H]1C[C@H](NC[C@@H]2CCC(C)(C)O2)c2nccn21 ZINC000453190714 202705942 /nfs/dbraw/zinc/70/59/42/202705942.db2.gz AHAAJKACSJXRKS-WOPDTQHZSA-N 0 1 249.358 2.436 20 0 BEADMN CCCCN(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630676083 364438466 /nfs/dbraw/zinc/43/84/66/364438466.db2.gz QZHJDKTYILHLLL-UHFFFAOYSA-N 0 1 249.236 2.301 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000453075157 202696799 /nfs/dbraw/zinc/69/67/99/202696799.db2.gz IHUMOAQQFRKDHV-SRVKXCTJSA-N 0 1 237.347 2.121 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccon1 ZINC000181853303 366851447 /nfs/dbraw/zinc/85/14/47/366851447.db2.gz HQALDKLXLPTVDR-NWDGAFQWSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)C[C@H]1CCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261536716 364496334 /nfs/dbraw/zinc/49/63/34/364496334.db2.gz SPHBLYNJNBTYFV-GHMZBOCLSA-N 0 1 213.321 2.218 20 0 BEADMN CCN(Cc1nc(COC)no1)[C@@H](C)C(C)C ZINC000182097949 366866320 /nfs/dbraw/zinc/86/63/20/366866320.db2.gz HRNHSFYJZXEVPK-JTQLQIEISA-N 0 1 241.335 2.082 20 0 BEADMN CC[C@@H](N[C@H](C)c1cc(C)oc1C)C(=O)NC ZINC000453405526 202764311 /nfs/dbraw/zinc/76/43/11/202764311.db2.gz OWIAGSZKAAYQQU-BXKDBHETSA-N 0 1 238.331 2.072 20 0 BEADMN CCc1nc([C@@H](C)N(C)CCCSC)n[nH]1 ZINC000595469343 541379832 /nfs/dbraw/zinc/37/98/32/541379832.db2.gz FYKKVMYJVOWRCT-SECBINFHSA-N 0 1 242.392 2.113 20 0 BEADMN CSCC[N@@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000167577567 364796478 /nfs/dbraw/zinc/79/64/78/364796478.db2.gz PJDAOHZAXUGNHA-MRVPVSSYSA-N 0 1 243.328 2.334 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1nc(C)c(C)o1 ZINC000573328754 364801282 /nfs/dbraw/zinc/80/12/82/364801282.db2.gz XNUIGBKYAVTSKQ-CABZTGNLSA-N 0 1 240.347 2.178 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1cscn1 ZINC000573376024 364814413 /nfs/dbraw/zinc/81/44/13/364814413.db2.gz FMBSITQBPDZWRM-KOLCDFICSA-N 0 1 228.361 2.030 20 0 BEADMN C[C@@H](C[N@@H+](CCC(F)(F)F)C1CC1)C(=O)[O-] ZINC000573618985 364876787 /nfs/dbraw/zinc/87/67/87/364876787.db2.gz NMEFJTWCOORESI-ZETCQYMHSA-N 0 1 239.237 2.124 20 0 BEADMN C[N@@H+](CCOC1CCCCCC1)CCC(=O)[O-] ZINC000430665990 541384711 /nfs/dbraw/zinc/38/47/11/541384711.db2.gz SCVFOLQPCRSWQO-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC12CCC(CC1)C2 ZINC000573809099 364920700 /nfs/dbraw/zinc/92/07/00/364920700.db2.gz VAGCFQGEXONYAJ-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H](NC1(C2CCC2)CCC1)c1nccc(N)n1 ZINC000573814642 364924062 /nfs/dbraw/zinc/92/40/62/364924062.db2.gz SZQFRCHLJYZQBI-SNVBAGLBSA-N 0 1 246.358 2.263 20 0 BEADMN C[C@H](NC1(C2CCC2)CCC1)c1nccc(N)n1 ZINC000573814635 364924396 /nfs/dbraw/zinc/92/43/96/364924396.db2.gz SZQFRCHLJYZQBI-JTQLQIEISA-N 0 1 246.358 2.263 20 0 BEADMN CC[N@@H+](CCCCC(F)(F)F)CC(=O)[O-] ZINC000573855539 364932781 /nfs/dbraw/zinc/93/27/81/364932781.db2.gz LKPQXLNIXPRRAY-UHFFFAOYSA-N 0 1 227.226 2.126 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000261857606 541402407 /nfs/dbraw/zinc/40/24/07/541402407.db2.gz OEAXFFRGCAPUIN-SNVBAGLBSA-N 0 1 233.311 2.253 20 0 BEADMN C[C@H](O)CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000574010556 364965312 /nfs/dbraw/zinc/96/53/12/364965312.db2.gz AIQSCPIQWDUSKH-DZGCQCFKSA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000574039658 364974027 /nfs/dbraw/zinc/97/40/27/364974027.db2.gz NSLLCLQXUVPDMB-ZJUUUORDSA-N 0 1 213.321 2.075 20 0 BEADMN CC(C)[C@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000574216612 365011696 /nfs/dbraw/zinc/01/16/96/365011696.db2.gz ARMJTIQVMNAEPX-RYUDHWBXSA-N 0 1 248.374 2.318 20 0 BEADMN COCC[N@@H+](Cc1ccno1)[C@@H]1CC[C@@H](C)C1 ZINC000574379885 365046821 /nfs/dbraw/zinc/04/68/21/365046821.db2.gz JEVADTCGKJHAGX-VXGBXAGGSA-N 0 1 238.331 2.312 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000574416627 365059239 /nfs/dbraw/zinc/05/92/39/365059239.db2.gz OBMRFKDIWHKILF-RKDXNWHRSA-N 0 1 233.315 2.042 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccc(OC)cc1F ZINC000574524796 365083808 /nfs/dbraw/zinc/08/38/08/365083808.db2.gz LELOXWCUGYTRQT-QWHCGFSZSA-N 0 1 239.290 2.101 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccc(OC)cc1F ZINC000574524795 365083832 /nfs/dbraw/zinc/08/38/32/365083832.db2.gz LELOXWCUGYTRQT-OLZOCXBDSA-N 0 1 239.290 2.101 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccc(OC)cc1F ZINC000574524794 365083884 /nfs/dbraw/zinc/08/38/84/365083884.db2.gz LELOXWCUGYTRQT-CHWSQXEVSA-N 0 1 239.290 2.101 20 0 BEADMN CCN(C(=O)[C@H](C)N1CC(C)C1)[C@H](C)C(C)C ZINC000574582981 365096071 /nfs/dbraw/zinc/09/60/71/365096071.db2.gz PLKGLMIKCNNJBB-OLZOCXBDSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1cc([NH+]=C([O-])N(C)c2ccccc2)ccn1 ZINC000574592557 365098997 /nfs/dbraw/zinc/09/89/97/365098997.db2.gz QFMRFFLJKGKTPV-UHFFFAOYSA-N 0 1 241.294 2.480 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ncccc2O)C(C)(C)C1 ZINC000574844457 365157921 /nfs/dbraw/zinc/15/79/21/365157921.db2.gz JNPKOZZSIFXQAY-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1C[N@H+](Cc2ncccc2[O-])C(C)(C)C1 ZINC000574844457 365157929 /nfs/dbraw/zinc/15/79/29/365157929.db2.gz JNPKOZZSIFXQAY-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ncccc2[O-])C(C)(C)C1 ZINC000574844457 365157936 /nfs/dbraw/zinc/15/79/36/365157936.db2.gz JNPKOZZSIFXQAY-JTQLQIEISA-N 0 1 220.316 2.408 20 0 BEADMN CC(C)c1nnc(CN[C@H]2CCC23CCC3)[nH]1 ZINC000574845299 365158220 /nfs/dbraw/zinc/15/82/20/365158220.db2.gz SOXZXTAFWVUCLU-JTQLQIEISA-N 0 1 234.347 2.350 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)c1coc(CN)c1 ZINC000444130850 193035990 /nfs/dbraw/zinc/03/59/90/193035990.db2.gz NCZIHQYTKPYDQE-ZJUUUORDSA-N 0 1 238.331 2.293 20 0 BEADMN CCN(CC(=O)OC)C[C@@H]1C(C)=CCC[C@H]1C ZINC000443415508 193020635 /nfs/dbraw/zinc/02/06/35/193020635.db2.gz IIRYPCGQZGXRDM-CHWSQXEVSA-N 0 1 239.359 2.474 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000444492915 193048344 /nfs/dbraw/zinc/04/83/44/193048344.db2.gz ZOFTWWLWFFRBPN-OLZOCXBDSA-N 0 1 238.375 2.023 20 0 BEADMN CC/C=C\CC[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000575412594 365313994 /nfs/dbraw/zinc/31/39/94/365313994.db2.gz GRDKJFQHYUJZCK-DLRQAJBASA-N 0 1 211.305 2.282 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000172357086 365314803 /nfs/dbraw/zinc/31/48/03/365314803.db2.gz VIZVWLAQGFUDGE-SSDOTTSWSA-N 0 1 241.674 2.021 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000575755608 365355427 /nfs/dbraw/zinc/35/54/27/365355427.db2.gz WFLHUYPDBCJCLX-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000575847500 365382484 /nfs/dbraw/zinc/38/24/84/365382484.db2.gz DSCWKXDSJJBYGI-PSASIEDQSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@H](F)CC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000575935808 365422110 /nfs/dbraw/zinc/42/21/10/365422110.db2.gz FBNNFTNTEGRMCQ-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccoc1C(=O)[O-] ZINC000575810365 365371015 /nfs/dbraw/zinc/37/10/15/365371015.db2.gz MRRZGCQKMPJTTD-DTORHVGOSA-N 0 1 223.272 2.351 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nc(C2CC2)nn1C ZINC000575919429 365413802 /nfs/dbraw/zinc/41/38/02/365413802.db2.gz FTFQQPJTSZPZAK-PWSUYJOCSA-N 0 1 248.374 2.455 20 0 BEADMN c1nc(CN[C@H](C2CC2)[C@H]2CCCCO2)co1 ZINC000655810544 541482387 /nfs/dbraw/zinc/48/23/87/541482387.db2.gz FSFFQMNPCOBFOA-CHWSQXEVSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@H](NC[C@H]1Cc2ccccc2O1)c1ncc[nH]1 ZINC000353634163 541484387 /nfs/dbraw/zinc/48/43/87/541484387.db2.gz UROHPQWJYYQBIM-CMPLNLGQSA-N 0 1 243.310 2.064 20 0 BEADMN CCCC[C@@H](COC)N[C@H](C)c1nccn1C ZINC000182995072 366964649 /nfs/dbraw/zinc/96/46/49/366964649.db2.gz ROHAGGGRPXMLDU-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@H]1CCC[C@H](CN(C)CC(=O)OC)C1 ZINC000182994706 366964801 /nfs/dbraw/zinc/96/48/01/366964801.db2.gz FAFMVFRLKGMTIP-RYUDHWBXSA-N 0 1 227.348 2.308 20 0 BEADMN CC[C@H](C)[C@H](C)NCc1nc([C@@H](C)OC)no1 ZINC000183039483 366968217 /nfs/dbraw/zinc/96/82/17/366968217.db2.gz MLDQTTHFEXUTRF-LPEHRKFASA-N 0 1 241.335 2.301 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000579850445 367050175 /nfs/dbraw/zinc/05/01/75/367050175.db2.gz XNCSKPGEHUEJNP-WDEREUQCSA-N 0 1 237.347 2.235 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000579850444 367050450 /nfs/dbraw/zinc/05/04/50/367050450.db2.gz XNCSKPGEHUEJNP-QWRGUYRKSA-N 0 1 237.347 2.235 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000579978005 367114719 /nfs/dbraw/zinc/11/47/19/367114719.db2.gz NDGGUEUEINYQEI-MNOVXSKESA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000185119841 367119534 /nfs/dbraw/zinc/11/95/34/367119534.db2.gz UQGFUBPHJPPTAJ-WBMJQRKESA-N 0 1 239.384 2.194 20 0 BEADMN C(c1noc([C@@H]2CCCCCN2)n1)C1CC1 ZINC000087580212 367119968 /nfs/dbraw/zinc/11/99/68/367119968.db2.gz MADSFAVKJIGEQI-JTQLQIEISA-N 0 1 221.304 2.227 20 0 BEADMN CC(C)C[C@H]1CCN([C@H](C)c2nccc(N)n2)C1 ZINC000580841495 367185389 /nfs/dbraw/zinc/18/53/89/367185389.db2.gz PRAQQPOOVUWKSH-VXGBXAGGSA-N 0 1 248.374 2.318 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000580778801 367164166 /nfs/dbraw/zinc/16/41/66/367164166.db2.gz PYYPUUIYWSCRNY-SECBINFHSA-N 0 1 213.302 2.216 20 0 BEADMN CC(C)C[C@@H]1CCN([C@H](C)c2nccc(N)n2)C1 ZINC000580841492 367185045 /nfs/dbraw/zinc/18/50/45/367185045.db2.gz PRAQQPOOVUWKSH-NEPJUHHUSA-N 0 1 248.374 2.318 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000580962508 367219761 /nfs/dbraw/zinc/21/97/61/367219761.db2.gz GRDNGIKKOWALRE-UHFFFAOYSA-N 0 1 237.274 2.265 20 0 BEADMN Cc1nnc([C@H](C)NCCC(C)(C)C)o1 ZINC000380353931 367190017 /nfs/dbraw/zinc/19/00/17/367190017.db2.gz WEXSGQVTTOPQRV-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])CC1Cc2ccccc2C1 ZINC000580939894 367210154 /nfs/dbraw/zinc/21/01/54/367210154.db2.gz DRTHNNXRDLNINF-UHFFFAOYSA-N 0 1 247.338 2.196 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C[C@H]1C(=O)[O-] ZINC000581071231 367252100 /nfs/dbraw/zinc/25/21/00/367252100.db2.gz HUWPJMBWICVYDM-FRRDWIJNSA-N 0 1 237.343 2.385 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000581196831 367291199 /nfs/dbraw/zinc/29/11/99/367291199.db2.gz QUCBKGKKLWYKBA-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](c1nccc(N)n1)N(C)C[C@@H]1CC=CCC1 ZINC000581201524 367292993 /nfs/dbraw/zinc/29/29/93/367292993.db2.gz NCXTZQREDGKJRK-NWDGAFQWSA-N 0 1 246.358 2.238 20 0 BEADMN C[C@H](c1nccc(N)n1)N(C)C[C@H]1CC=CCC1 ZINC000581201520 367293809 /nfs/dbraw/zinc/29/38/09/367293809.db2.gz NCXTZQREDGKJRK-NEPJUHHUSA-N 0 1 246.358 2.238 20 0 BEADMN CC(C)SCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000380870467 367321061 /nfs/dbraw/zinc/32/10/61/367321061.db2.gz CCDWYFDTHQQTIK-UHFFFAOYSA-N 0 1 245.388 2.457 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@@H](SC)C1 ZINC000581374992 367406532 /nfs/dbraw/zinc/40/65/32/367406532.db2.gz KRSWKXAHNXTFKE-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1cc(CNC2CC(OC(C)C)C2)no1 ZINC000381465191 367410847 /nfs/dbraw/zinc/41/08/47/367410847.db2.gz MHFVAYMNRUQAFO-UHFFFAOYSA-N 0 1 224.304 2.029 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1ccn(C)n1 ZINC000381519991 367422869 /nfs/dbraw/zinc/42/28/69/367422869.db2.gz WCRSSXUIRKVHOB-MRVPVSSYSA-N 0 1 235.253 2.241 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000381527582 367424028 /nfs/dbraw/zinc/42/40/28/367424028.db2.gz OMAJSLUVPIJPSG-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])C[C@H]1CCCC1(F)F ZINC000382150616 367490491 /nfs/dbraw/zinc/49/04/91/367490491.db2.gz OGUNRIKOTPDFPI-SECBINFHSA-N 0 1 235.274 2.217 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1cccc(C)c1F ZINC000581528996 367551171 /nfs/dbraw/zinc/55/11/71/367551171.db2.gz VRPGHNGFHXDQLI-NEPJUHHUSA-N 0 1 223.291 2.401 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CC2(F)F)n1 ZINC000581488801 367519442 /nfs/dbraw/zinc/51/94/42/367519442.db2.gz ZJEBEEADERJEJS-BQBZGAKWSA-N 0 1 231.246 2.238 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000382998794 367582607 /nfs/dbraw/zinc/58/26/07/367582607.db2.gz BHRQALKLUREFPJ-NSHDSACASA-N 0 1 247.285 2.218 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CC[C@H](SC)C1 ZINC000382962703 367573499 /nfs/dbraw/zinc/57/34/99/367573499.db2.gz PCJKHEHGUNZNBN-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN CCCN(CC(=O)OCC)CC1CC(F)(F)C1 ZINC000383196790 367605057 /nfs/dbraw/zinc/60/50/57/367605057.db2.gz XYUOPPRNHNFLIB-UHFFFAOYSA-N 0 1 249.301 2.307 20 0 BEADMN C[N@@H+](CC1CC(F)(F)C1)C1(C(=O)[O-])CCCC1 ZINC000383054359 367591185 /nfs/dbraw/zinc/59/11/85/367591185.db2.gz NWICJKPFAVRLAO-UHFFFAOYSA-N 0 1 247.285 2.361 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000581616755 367636460 /nfs/dbraw/zinc/63/64/60/367636460.db2.gz XHGPFHHRZGBKRC-UTUOFQBUSA-N 0 1 249.358 2.235 20 0 BEADMN Cc1cc(CNCC2CC(F)(F)C2)no1 ZINC000383599542 367642276 /nfs/dbraw/zinc/64/22/76/367642276.db2.gz ZGNJMACLRDTUMI-UHFFFAOYSA-N 0 1 216.231 2.118 20 0 BEADMN CC[C@@H](C)[N@@H+](CCC1(OC)CCC1)CC(=O)[O-] ZINC000383952709 367662845 /nfs/dbraw/zinc/66/28/45/367662845.db2.gz GVLLNLVSGQTVBH-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cscn1 ZINC000384734122 367723079 /nfs/dbraw/zinc/72/30/79/367723079.db2.gz KGVMTMFTKGBVOK-RGOKHQFPSA-N 0 1 226.345 2.360 20 0 BEADMN Cc1c([C@H](C)NCc2ccncc2C)cnn1C ZINC000385030606 367775046 /nfs/dbraw/zinc/77/50/46/367775046.db2.gz KPDMMXYHVOJPIO-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN Cc1csc(CN[C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC000385208992 367809113 /nfs/dbraw/zinc/80/91/13/367809113.db2.gz RNWFRHHRLAAKMQ-IVZWLZJFSA-N 0 1 226.345 2.107 20 0 BEADMN COCCSc1nc2ccc(OC)cc2[nH]1 ZINC000018259754 367962934 /nfs/dbraw/zinc/96/29/34/367962934.db2.gz IYFPSGBMCCVSDO-UHFFFAOYSA-N 0 1 238.312 2.310 20 0 BEADMN CN[C@H](CC(C)(C)C)c1nc(-c2ncc[nH]2)no1 ZINC000386519959 367985934 /nfs/dbraw/zinc/98/59/34/367985934.db2.gz XMPSALGUBVXPGE-MRVPVSSYSA-N 0 1 249.318 2.156 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@@H](C1CC1)C1CCC1 ZINC000581987372 368052044 /nfs/dbraw/zinc/05/20/44/368052044.db2.gz MKDGLPYJZCBCJV-CQSZACIVSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@@H](NCc1nc(C(C)(C)C)cs1)[C@H](C)O ZINC000386837036 368026119 /nfs/dbraw/zinc/02/61/19/368026119.db2.gz AEHJYQSZWPWYIN-BDAKNGLRSA-N 0 1 242.388 2.300 20 0 BEADMN C[C@@H](C[N@@H+](C)CC12CCC(CC1)C2)C(=O)[O-] ZINC000566357861 326036212 /nfs/dbraw/zinc/03/62/12/326036212.db2.gz OLHZGYCWANOJRA-ZBOXLXRLSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)CC1CC1 ZINC000566357643 326036224 /nfs/dbraw/zinc/03/62/24/326036224.db2.gz GXZLNNMDZXUKBY-UHFFFAOYSA-N 0 1 237.299 2.382 20 0 BEADMN CC1(C)CCC[N@@H+](CC2(C(=O)[O-])CC2)CC1 ZINC000566361774 326037630 /nfs/dbraw/zinc/03/76/30/326037630.db2.gz MGEJJJNOODSZTF-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H](C(=O)[O-])C1CC1)C(C)(C)C ZINC000399545116 368177058 /nfs/dbraw/zinc/17/70/58/368177058.db2.gz BJMICHZRYYODBF-ONGXEEELSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(C)CCCC1 ZINC000582011384 368151968 /nfs/dbraw/zinc/15/19/68/368151968.db2.gz AGENJBQLISZRGY-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000030512707 368247599 /nfs/dbraw/zinc/24/75/99/368247599.db2.gz PYWFTGQVVWXLBT-AOOOYVTPSA-N 0 1 247.342 2.405 20 0 BEADMN CCC1(NC(=O)CN2CCC(C)(C)C2)CCC1 ZINC000566441779 326047679 /nfs/dbraw/zinc/04/76/79/326047679.db2.gz LECLLAOHCOWZFG-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC1(C)C[C@@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615793406 368311867 /nfs/dbraw/zinc/31/18/67/368311867.db2.gz XVWBEUZUADWPJM-SNVBAGLBSA-N 0 1 243.310 2.225 20 0 BEADMN CCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000057824586 368500824 /nfs/dbraw/zinc/50/08/24/368500824.db2.gz OLIKYRCAYAEBCI-CYBMUJFWSA-N 0 1 234.343 2.206 20 0 BEADMN Cc1cccc(NC(=O)CN(C)C(C)C)c1 ZINC000058337970 368509299 /nfs/dbraw/zinc/50/92/99/368509299.db2.gz PFVFDQWOZPMDIZ-UHFFFAOYSA-N 0 1 220.316 2.274 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(F)cc1F ZINC000060476654 368544310 /nfs/dbraw/zinc/54/43/10/368544310.db2.gz AKYYXPUHJPKBEO-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN CCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000061745000 368568853 /nfs/dbraw/zinc/56/88/53/368568853.db2.gz WMQISXDGIBTGTP-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN CC(C)OCCN1CCN(c2ccccc2)CC1 ZINC000061804483 368571981 /nfs/dbraw/zinc/57/19/81/368571981.db2.gz HCCJMYQJJCSFHJ-UHFFFAOYSA-N 0 1 248.370 2.234 20 0 BEADMN CC(C)CN(C)Cc1nc(-c2cccnc2)no1 ZINC000062364775 368574409 /nfs/dbraw/zinc/57/44/09/368574409.db2.gz RTEMYVSBENRIDW-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN COC(=O)c1occc1CN(C)CC(C)C ZINC000065962026 368636963 /nfs/dbraw/zinc/63/69/63/368636963.db2.gz XZJRDDMINIGLJY-UHFFFAOYSA-N 0 1 225.288 2.154 20 0 BEADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000082501611 368690163 /nfs/dbraw/zinc/69/01/63/368690163.db2.gz DXAAJVIPNUDVOJ-UHFFFAOYSA-N 0 1 211.286 2.041 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000457269462 203031326 /nfs/dbraw/zinc/03/13/26/203031326.db2.gz GZBYXPYGXIZLMN-GXTWGEPZSA-N 0 1 249.358 2.202 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1CCCN1C ZINC000457205336 203018614 /nfs/dbraw/zinc/01/86/14/203018614.db2.gz BWJWNGWSTMMOSH-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CCN(CC(=O)N[C@H](C)CC(C)(C)C)C1CC1 ZINC000457213509 203020073 /nfs/dbraw/zinc/02/00/73/203020073.db2.gz HCSULTVWWBYKMB-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H]1C[C@H](C)CN(CC(=O)OC(C)(C)C)C1 ZINC000070926255 368767037 /nfs/dbraw/zinc/76/70/37/368767037.db2.gz CBSUPMLRPCLHOG-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN O=C(Nc1ccn(-c2ccncc2)n1)C1CCC1 ZINC000071039095 368770261 /nfs/dbraw/zinc/77/02/61/368770261.db2.gz IGRNJGDUIFDCRV-UHFFFAOYSA-N 0 1 242.282 2.006 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)c1ccccc1 ZINC000083411082 368772878 /nfs/dbraw/zinc/77/28/78/368772878.db2.gz MMUQOCBJVBMHIY-NSHDSACASA-N 0 1 221.300 2.197 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1C ZINC000086754556 368884110 /nfs/dbraw/zinc/88/41/10/368884110.db2.gz PDAKVPBVLFWRNP-UHFFFAOYSA-N 0 1 239.290 2.431 20 0 BEADMN CC(C)(O)CNCc1nc(C(C)(C)C)cs1 ZINC000087376213 368892382 /nfs/dbraw/zinc/89/23/82/368892382.db2.gz URSRBXNLUCOHEO-UHFFFAOYSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1ccc(C(C)(C)CNCc2cocn2)nc1 ZINC000623648860 368973414 /nfs/dbraw/zinc/97/34/14/368973414.db2.gz AVZGEXMAWGLXLH-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN C[C@@H]1CCC(C)(C)N1C(=O)CCc1cnc[nH]1 ZINC000616164911 368999857 /nfs/dbraw/zinc/99/98/57/368999857.db2.gz KMLFBMANMRMEIH-SNVBAGLBSA-N 0 1 235.331 2.132 20 0 BEADMN Cc1ccc(N2CC[C@H](N3CCCC3)C2=O)cc1 ZINC000006070914 369031063 /nfs/dbraw/zinc/03/10/63/369031063.db2.gz VKERRRJLZIDHSP-AWEZNQCLSA-N 0 1 244.338 2.196 20 0 BEADMN C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000457511926 203070520 /nfs/dbraw/zinc/07/05/20/203070520.db2.gz GXTJBJYCGVSLJJ-WDEREUQCSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]2CC(C)C)c1C ZINC000457988302 203123496 /nfs/dbraw/zinc/12/34/96/203123496.db2.gz IZVANSLEAJBNIU-GHMZBOCLSA-N 0 1 235.331 2.191 20 0 BEADMN CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1O ZINC000458105396 203132220 /nfs/dbraw/zinc/13/22/20/203132220.db2.gz AOZARBSVQUFDET-WDEREUQCSA-N 0 1 237.274 2.306 20 0 BEADMN CCN(CC(=O)N[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC000458117331 203135327 /nfs/dbraw/zinc/13/53/27/203135327.db2.gz JGDGOQKUEISQND-GXTWGEPZSA-N 0 1 238.375 2.022 20 0 BEADMN CN(Cc1cnc(C2CC2)nc1)[C@@H]1CCSC1 ZINC000459306768 203252045 /nfs/dbraw/zinc/25/20/45/203252045.db2.gz RFYQXJFWWHIVLP-GFCCVEGCSA-N 0 1 249.383 2.291 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)[nH]n2)C1 ZINC000619133345 369293035 /nfs/dbraw/zinc/29/30/35/369293035.db2.gz WKOUBKCOIIAHTK-GHMZBOCLSA-N 0 1 235.331 2.369 20 0 BEADMN COCc1cc(CN2C[C@@H](C)C[C@H]2C)no1 ZINC000459385568 203270712 /nfs/dbraw/zinc/27/07/12/203270712.db2.gz YXDPUYIUYLEVDC-VHSXEESVSA-N 0 1 224.304 2.051 20 0 BEADMN Cc1cc(CNCC[C@@H]2CCO[C@H](C)C2)no1 ZINC000459488400 203290084 /nfs/dbraw/zinc/29/00/84/203290084.db2.gz UQSQXQHEKLHSCB-ZYHUDNBSSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCCS2)no1 ZINC000459480583 203291414 /nfs/dbraw/zinc/29/14/14/203291414.db2.gz MASBTEGILKHYJD-NSHDSACASA-N 0 1 226.345 2.358 20 0 BEADMN C[C@H](NC1CC(C(C)(C)C)C1)c1ncnn1C ZINC000459501451 203292374 /nfs/dbraw/zinc/29/23/74/203292374.db2.gz ZSNMXHPADMGIDU-WHXUTIOJSA-N 0 1 236.363 2.290 20 0 BEADMN COCc1cc(CN(C)[C@H]2CC[C@H](C)C2)no1 ZINC000459508941 203293945 /nfs/dbraw/zinc/29/39/45/203293945.db2.gz NGIIDJBDAMZLHK-JQWIXIFHSA-N 0 1 238.331 2.441 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc(C2CC2)cc1 ZINC000459507130 203294240 /nfs/dbraw/zinc/29/42/40/203294240.db2.gz INNWCBNXBQCDIX-CABCVRRESA-N 0 1 249.329 2.469 20 0 BEADMN CCn1nncc1CN1CCCC2(CCC2)C1 ZINC000459439903 203280019 /nfs/dbraw/zinc/28/00/19/203280019.db2.gz NAYUHGNMJIGCOZ-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000619347753 369318239 /nfs/dbraw/zinc/31/82/39/369318239.db2.gz KVMCWDNPBBEOLO-NXEZZACHSA-N 0 1 241.294 2.045 20 0 BEADMN CCOCCOC1CN(CCCC(C)C)C1 ZINC000459453270 203284278 /nfs/dbraw/zinc/28/42/78/203284278.db2.gz CZFURVRINNAYAM-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN CCC(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108304613 369386581 /nfs/dbraw/zinc/38/65/81/369386581.db2.gz BSPQYSUZAPABNB-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2CC(CCO)C2)o1 ZINC000459589474 203310676 /nfs/dbraw/zinc/31/06/76/203310676.db2.gz JCCALCMSWMLGSD-MFKMUULPSA-N 0 1 235.327 2.217 20 0 BEADMN COc1ccccc1CN1CC2(C1)CCOCC2 ZINC000459624003 203320695 /nfs/dbraw/zinc/32/06/95/203320695.db2.gz SRCBWSBJEXNQLS-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)c1[nH]ncc1F ZINC001642666175 1172386642 /nfs/dbraw/zinc/38/66/42/1172386642.db2.gz VPAWHSLNTCPEEM-SECBINFHSA-N 0 1 247.273 2.348 20 0 BEADMN Cc1cnc(CN[C@H]2C[C@@H](OC(C)C)C2)s1 ZINC000459672128 203332681 /nfs/dbraw/zinc/33/26/81/203332681.db2.gz XGJOUVRJGAVHAG-PHIMTYICSA-N 0 1 240.372 2.497 20 0 BEADMN COc1nccnc1CN[C@@H]1C[C@H]1CC(C)C ZINC000459653908 203330883 /nfs/dbraw/zinc/33/08/83/203330883.db2.gz CVCVLSXZCPMHEY-GHMZBOCLSA-N 0 1 235.331 2.009 20 0 BEADMN C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C(C)(C)C ZINC000567811224 326261015 /nfs/dbraw/zinc/26/10/15/326261015.db2.gz YASYZXCCQFOOEJ-UHFFFAOYSA-N 0 1 235.331 2.290 20 0 BEADMN COCc1cc(CN[C@]2(C)CC=CCC2)no1 ZINC000459767585 203361137 /nfs/dbraw/zinc/36/11/37/203361137.db2.gz PWPFEZDPILWQIT-CYBMUJFWSA-N 0 1 236.315 2.409 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000459775574 203366335 /nfs/dbraw/zinc/36/63/35/203366335.db2.gz MJISWVCCQYMLQC-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN CN1CCCC[C@H]1C(=O)NC1CCCCCC1 ZINC000082317365 370985499 /nfs/dbraw/zinc/98/54/99/370985499.db2.gz XTESLSOOIYQJBL-ZDUSSCGKSA-N 0 1 238.375 2.310 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NC1CCCCCC1 ZINC000082317364 370985687 /nfs/dbraw/zinc/98/56/87/370985687.db2.gz XTESLSOOIYQJBL-CYBMUJFWSA-N 0 1 238.375 2.310 20 0 BEADMN COc1cc(F)cc(OC)c1CN1CCCC1 ZINC000631036448 370986808 /nfs/dbraw/zinc/98/68/08/370986808.db2.gz OFZGVBSQXWXWNA-UHFFFAOYSA-N 0 1 239.290 2.439 20 0 BEADMN C[C@@H](NCCC(C)(F)F)c1ccn(C)n1 ZINC000459784100 203367325 /nfs/dbraw/zinc/36/73/25/203367325.db2.gz IYFQUEKHHABRDN-MRVPVSSYSA-N 0 1 217.263 2.116 20 0 BEADMN CC(C)CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000082277349 370978966 /nfs/dbraw/zinc/97/89/66/370978966.db2.gz PCHFVDNKUZAUAI-UHFFFAOYSA-N 0 1 244.298 2.252 20 0 BEADMN C[C@H](CN[C@H](C)c1ccn(C)n1)C(F)(F)F ZINC000459787580 203369246 /nfs/dbraw/zinc/36/92/46/203369246.db2.gz LLJWZHRGUXCBMK-HTQZYQBOSA-N 0 1 235.253 2.269 20 0 BEADMN CCN(Cc1nnc(C)n1C1CC1)CC(C)C ZINC000157580311 326284212 /nfs/dbraw/zinc/28/42/12/326284212.db2.gz RDDWCCQEYSGITQ-UHFFFAOYSA-N 0 1 236.363 2.399 20 0 BEADMN O=C(NCC1=CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000620005092 369660821 /nfs/dbraw/zinc/66/08/21/369660821.db2.gz VHZKTVAVSOSIAT-NSHDSACASA-N 0 1 245.326 2.056 20 0 BEADMN CC(C)[C@@H](NC(=O)[C@H]1CCCCN1C)C1CC1 ZINC000620041801 369684832 /nfs/dbraw/zinc/68/48/32/369684832.db2.gz NKECNPHGOWMXLL-CHWSQXEVSA-N 0 1 238.375 2.022 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@H](C2CCC2)C1 ZINC000620215430 369775281 /nfs/dbraw/zinc/77/52/81/369775281.db2.gz SUFHZDXVHVEBGV-NSHDSACASA-N 0 1 233.315 2.062 20 0 BEADMN CC(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620767461 369995589 /nfs/dbraw/zinc/99/55/89/369995589.db2.gz HBXGGGSJALHHLX-AWEZNQCLSA-N 0 1 246.354 2.033 20 0 BEADMN CC1(C)CC(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000620740871 369987630 /nfs/dbraw/zinc/98/76/30/369987630.db2.gz KYSFJWFAIPQSKX-JTQLQIEISA-N 0 1 247.342 2.134 20 0 BEADMN C[C@H](C(N)=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000007360122 370138635 /nfs/dbraw/zinc/13/86/35/370138635.db2.gz MWJOFNSLDMNWJK-LLVKDONJSA-N 0 1 248.370 2.290 20 0 BEADMN CCc1noc(CN2CCC[C@@H](C)CC2)n1 ZINC000063302678 370147445 /nfs/dbraw/zinc/14/74/45/370147445.db2.gz LOUPVQZXGLXXCH-SNVBAGLBSA-N 0 1 223.320 2.254 20 0 BEADMN CC12CC(C1)CN2C(=O)c1cccc2n[nH]cc21 ZINC000621210676 370152266 /nfs/dbraw/zinc/15/22/66/370152266.db2.gz APSBLABQWDDYKN-UHFFFAOYSA-N 0 1 241.294 2.187 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cncc(Cl)c1 ZINC000621294841 370220198 /nfs/dbraw/zinc/22/01/98/370220198.db2.gz PCMCDNTYKVTBBI-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN CCN(Cc1cncc(Cl)c1)[C@H]1CCOC1 ZINC000621296142 370223937 /nfs/dbraw/zinc/22/39/37/370223937.db2.gz IUKVULXXCWOSQY-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1ccc(C)cc1C ZINC000621297832 370225032 /nfs/dbraw/zinc/22/50/32/370225032.db2.gz XJZQIHZAYUETMT-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN CCCN(CCOCC)[C@@H](CC)C(=O)OCC ZINC001642706116 1172394929 /nfs/dbraw/zinc/39/49/29/1172394929.db2.gz UXDJFAZYPZLRHK-LBPRGKRZSA-N 0 1 245.363 2.077 20 0 BEADMN OCCCN(Cc1cncc(Cl)c1)C1CC1 ZINC000621258414 370192293 /nfs/dbraw/zinc/19/22/93/370192293.db2.gz KFMGHZUINAODOR-UHFFFAOYSA-N 0 1 240.734 2.082 20 0 BEADMN FC1(F)C[C@@H]1CCNc1nc(C2CC2)ns1 ZINC000621345812 370280374 /nfs/dbraw/zinc/28/03/74/370280374.db2.gz XNGJIFJWTJWOSI-ZETCQYMHSA-N 0 1 245.298 2.295 20 0 BEADMN Cc1cccnc1C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000311038156 370382118 /nfs/dbraw/zinc/38/21/18/370382118.db2.gz GCICZLQZQUCNIT-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN Clc1cnc(CNC2CCC2)s1 ZINC000225342374 370383094 /nfs/dbraw/zinc/38/30/94/370383094.db2.gz XSAAJGISYHMOAA-UHFFFAOYSA-N 0 1 202.710 2.439 20 0 BEADMN CC1(C)CC[C@H](CO)N(Cc2cncs2)C1 ZINC000621382255 370325868 /nfs/dbraw/zinc/32/58/68/370325868.db2.gz OMRBOJWLXYIPPF-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN FC(F)[C@H](NCc1c[nH]nn1)C1CCCCC1 ZINC000621401549 370338501 /nfs/dbraw/zinc/33/85/01/370338501.db2.gz CEAVAJALOODQLV-SNVBAGLBSA-N 0 1 244.289 2.108 20 0 BEADMN CCN1CC[C@@H](N2Cc3ccccc3[C@@H]2C)C1=O ZINC000621400851 370338728 /nfs/dbraw/zinc/33/87/28/370338728.db2.gz UJEHNSICFJLWEF-SMDDNHRTSA-N 0 1 244.338 2.184 20 0 BEADMN FC(F)[C@@H](NCc1c[nH]nn1)C1CCCCC1 ZINC000621401548 370339335 /nfs/dbraw/zinc/33/93/35/370339335.db2.gz CEAVAJALOODQLV-JTQLQIEISA-N 0 1 244.289 2.108 20 0 BEADMN CCCC[C@H](C(=O)N1CCN[C@@H](C)C1)C(C)C ZINC000621622951 370407587 /nfs/dbraw/zinc/40/75/87/370407587.db2.gz RJVASAWOYHVDPI-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nccnc1C ZINC000621722755 370473826 /nfs/dbraw/zinc/47/38/26/370473826.db2.gz INFUBRQNGOFJLY-GWCFXTLKSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1n[nH]cc1CN1CC(Cc2ccsc2)C1 ZINC000621741368 370500461 /nfs/dbraw/zinc/50/04/61/370500461.db2.gz OSDZTYMYZGEHLA-UHFFFAOYSA-N 0 1 247.367 2.454 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccn1 ZINC000621773119 370517054 /nfs/dbraw/zinc/51/70/54/370517054.db2.gz GOBBTAXQFFKBNL-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1nccnc1CN1CCCO[C@@H](C(C)C)C1 ZINC000621729142 370481632 /nfs/dbraw/zinc/48/16/32/370481632.db2.gz KONNRXMRUHMRKZ-CQSZACIVSA-N 0 1 249.358 2.032 20 0 BEADMN CO[C@@H]1CCN(Cc2nccnc2C)CC1(C)C ZINC000621730241 370483501 /nfs/dbraw/zinc/48/35/01/370483501.db2.gz FOHFRCWUFIKXPT-CYBMUJFWSA-N 0 1 249.358 2.032 20 0 BEADMN Cc1nccnc1CN1CCC[C@@H](OC(C)C)C1 ZINC000621732285 370487071 /nfs/dbraw/zinc/48/70/71/370487071.db2.gz VSKUAMOGBSAHRB-CYBMUJFWSA-N 0 1 249.358 2.174 20 0 BEADMN CCc1nn(C)cc1CN1CC(CC2CC2)C1 ZINC000621740161 370498091 /nfs/dbraw/zinc/49/80/91/370498091.db2.gz AYSRTEUYJGPGGE-UHFFFAOYSA-N 0 1 233.359 2.214 20 0 BEADMN CC[C@@H]1c2ccccc2CCN1CC(=O)N(C)C ZINC000114493370 370569150 /nfs/dbraw/zinc/56/91/50/370569150.db2.gz ZAUUKSCJFLDIST-CQSZACIVSA-N 0 1 246.354 2.084 20 0 BEADMN C[N@@H+](Cc1occc1C(=O)[O-])[C@H]1CC1(C)C ZINC000568520500 326362483 /nfs/dbraw/zinc/36/24/83/326362483.db2.gz CSKHJTINNRYTJH-JTQLQIEISA-N 0 1 223.272 2.208 20 0 BEADMN CCc1onc(C)c1NC(=O)c1[nH]c(C)nc1C ZINC000621934780 370608059 /nfs/dbraw/zinc/60/80/59/370608059.db2.gz DOOLTMSLUMFEEK-UHFFFAOYSA-N 0 1 248.286 2.138 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000378655640 371011066 /nfs/dbraw/zinc/01/10/66/371011066.db2.gz AMHNKJYWBCVGAZ-HTQZYQBOSA-N 0 1 240.328 2.072 20 0 BEADMN CCc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)o1 ZINC000623753630 371082583 /nfs/dbraw/zinc/08/25/83/371082583.db2.gz BHTUVSULVBIECN-BXUZGUMPSA-N 0 1 235.327 2.499 20 0 BEADMN c1nc2c(s1)CCC[C@H]2N[C@H]1CCCOC1 ZINC000623889143 371141849 /nfs/dbraw/zinc/14/18/49/371141849.db2.gz FKWBBWJQBFPRLG-VHSXEESVSA-N 0 1 238.356 2.289 20 0 BEADMN CO[C@H]1C[C@H]([NH2+]Cc2cccc([O-])c2Cl)C1 ZINC000623808858 371104046 /nfs/dbraw/zinc/10/40/46/371104046.db2.gz GZKMSKDJPKKLEM-MGCOHNPYSA-N 0 1 241.718 2.313 20 0 BEADMN C[C@H](N[C@@H]1CCCc2scnc21)C(C)(C)O ZINC000623933753 371163311 /nfs/dbraw/zinc/16/33/11/371163311.db2.gz QCYPLNNOCBGXIS-DTWKUNHWSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@H](Nc1ccc2nn[nH]c2c1)[C@H]1CCCCO1 ZINC000623942301 371170549 /nfs/dbraw/zinc/17/05/49/371170549.db2.gz FMHAIZDZEPKSMY-TVQRCGJNSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@H](Nc1ccc2n[nH]nc2c1)[C@H]1CCCCO1 ZINC000623942301 371170553 /nfs/dbraw/zinc/17/05/53/371170553.db2.gz FMHAIZDZEPKSMY-TVQRCGJNSA-N 0 1 246.314 2.327 20 0 BEADMN C[C@H](C[C@H](C)O)N[C@@H]1CCCc2scnc21 ZINC000623958207 371197246 /nfs/dbraw/zinc/19/72/46/371197246.db2.gz FUNZREMHBYYDMB-KXUCPTDWSA-N 0 1 240.372 2.270 20 0 BEADMN CN(Cc1cccc(F)c1F)C(C)(C)CO ZINC000124788182 371235842 /nfs/dbraw/zinc/23/58/42/371235842.db2.gz FNAACOBSPGVDRU-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1nccn1C)OCC ZINC000624049393 371275354 /nfs/dbraw/zinc/27/53/54/371275354.db2.gz GOGWYLJFZLPCKO-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CCC(F)(F)CN[C@@H](C)[C@H]1CCOC1 ZINC000624148104 371342827 /nfs/dbraw/zinc/34/28/27/371342827.db2.gz VLXMQHSAAJLNMM-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN C/C=C\CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000624199333 371389680 /nfs/dbraw/zinc/38/96/80/371389680.db2.gz MHGJGPRWVPCERD-DLRQAJBASA-N 0 1 219.332 2.446 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000624222839 371410984 /nfs/dbraw/zinc/41/09/84/371410984.db2.gz HHCFWKABNGQDLM-UHTWSYAYSA-N 0 1 247.342 2.003 20 0 BEADMN CC[C@H](NCc1ccc(=O)[nH]c1)c1nccs1 ZINC000631076852 371375402 /nfs/dbraw/zinc/37/54/02/371375402.db2.gz QQBXQCWLBBDSFR-JTQLQIEISA-N 0 1 249.339 2.485 20 0 BEADMN CO[C@H]1C[C@H](N[C@@H](C)c2csc(C)n2)C1 ZINC000624299233 371465815 /nfs/dbraw/zinc/46/58/15/371465815.db2.gz HHDFEENXYQCECY-HGNGGELXSA-N 0 1 226.345 2.280 20 0 BEADMN Nc1nc2ccccc2n1-c1ccccc1O ZINC000169351151 181794767 /nfs/dbraw/zinc/79/47/67/181794767.db2.gz PALJLPAUMLSBMT-UHFFFAOYSA-N 0 1 225.251 2.313 20 0 BEADMN CCC[C@H](CCO)NCc1csc(CC)n1 ZINC000631197334 372209785 /nfs/dbraw/zinc/20/97/85/372209785.db2.gz UYQBELNBRJFIJX-SNVBAGLBSA-N 0 1 242.388 2.346 20 0 BEADMN CCCC[C@@](C)(CO)NCc1cc(C)no1 ZINC000631164647 372213790 /nfs/dbraw/zinc/21/37/90/372213790.db2.gz FKHJDAIORBPRGP-LBPRGKRZSA-N 0 1 226.320 2.014 20 0 BEADMN Cc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)on1 ZINC000631169591 372215304 /nfs/dbraw/zinc/21/53/04/372215304.db2.gz SGEALFZZTUDWHP-XYPYZODXSA-N 0 1 238.331 2.419 20 0 BEADMN CC[C@@H](C)CCNCc1ncnn1C(C)C ZINC000631174497 372218065 /nfs/dbraw/zinc/21/80/65/372218065.db2.gz YKVFNYUAXBKADH-LLVKDONJSA-N 0 1 224.352 2.385 20 0 BEADMN COCC(C)(C)NCc1nn(C)c2ccccc12 ZINC000134290340 372192986 /nfs/dbraw/zinc/19/29/86/372192986.db2.gz GXQBVVROTLLOAE-UHFFFAOYSA-N 0 1 247.342 2.088 20 0 BEADMN COC(=O)c1coc(CN2CCC[C@H](C)C2)c1 ZINC000171028764 372248744 /nfs/dbraw/zinc/24/87/44/372248744.db2.gz QHCKEDDLUJDPFV-JTQLQIEISA-N 0 1 237.299 2.298 20 0 BEADMN Cc1cnccc1CN[C@@H]1CCCn2nccc21 ZINC000631298446 372283346 /nfs/dbraw/zinc/28/33/46/372283346.db2.gz KIZRXTXDTXGAKW-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN Cc1n[nH]cc1CN[C@H]1CCCc2ncccc21 ZINC000631598648 372449394 /nfs/dbraw/zinc/44/93/94/372449394.db2.gz LFNYJCHEITYZKX-AWEZNQCLSA-N 0 1 242.326 2.280 20 0 BEADMN Cc1nn(C)cc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755626 372558036 /nfs/dbraw/zinc/55/80/36/372558036.db2.gz DEIJGFXHXMNFMI-WQGWLQIFSA-N 0 1 247.264 2.330 20 0 BEADMN CC(C)(C)c1n[nH]c(SCCCCCO)n1 ZINC000171412008 372572082 /nfs/dbraw/zinc/57/20/82/372572082.db2.gz YOFKVZCDZVOAPT-UHFFFAOYSA-N 0 1 243.376 2.357 20 0 BEADMN CC(C)(C)c1nc(SCCCCCO)n[nH]1 ZINC000171412008 372572086 /nfs/dbraw/zinc/57/20/86/372572086.db2.gz YOFKVZCDZVOAPT-UHFFFAOYSA-N 0 1 243.376 2.357 20 0 BEADMN O=C(NC1CCC1)c1n[nH]c2ccc(Cl)cc21 ZINC000287476991 182107945 /nfs/dbraw/zinc/10/79/45/182107945.db2.gz GDQYFRDGOJKUQF-UHFFFAOYSA-N 0 1 249.701 2.499 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@@H]1C(F)F ZINC000633236978 373387512 /nfs/dbraw/zinc/38/75/12/373387512.db2.gz SSMJNPTZZGBIFG-SSDOTTSWSA-N 0 1 245.200 2.011 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCCC23CC3)c1C ZINC000633777846 373748773 /nfs/dbraw/zinc/74/87/73/373748773.db2.gz RSWCHLXNLCOGJX-JTQLQIEISA-N 0 1 233.315 2.089 20 0 BEADMN O=C(N[C@@H]1CCCC12CC2)[C@@H]1CCCN1C1CC1 ZINC000633778984 373751841 /nfs/dbraw/zinc/75/18/41/373751841.db2.gz OKPADYBVIKOYIC-QWHCGFSZSA-N 0 1 248.370 2.062 20 0 BEADMN O=C(NCCN1CC=CCC1)Nc1ccccc1 ZINC000279831143 182183775 /nfs/dbraw/zinc/18/37/75/182183775.db2.gz FIYQOEHBYHVWEX-UHFFFAOYSA-N 0 1 245.326 2.070 20 0 BEADMN CCC(C)(C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000633968391 373868510 /nfs/dbraw/zinc/86/85/10/373868510.db2.gz XWHOIMJDIGOQCS-UHFFFAOYSA-N 0 1 249.358 2.455 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)CC2CCC2)c1C ZINC000634367405 374212034 /nfs/dbraw/zinc/21/20/34/374212034.db2.gz ILJGURSFRZHHPV-MRVPVSSYSA-N 0 1 235.331 2.335 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C23CC(C2)C3)n1 ZINC000634555110 374311584 /nfs/dbraw/zinc/31/15/84/374311584.db2.gz ADULZGPDASAIEY-NBBOBHDQSA-N 0 1 221.304 2.167 20 0 BEADMN CCO[C@@H](c1nc(C2(N)CCC2)no1)C(C)C ZINC000634556124 374313840 /nfs/dbraw/zinc/31/38/40/374313840.db2.gz HOKFKWPNCITXEG-SECBINFHSA-N 0 1 239.319 2.141 20 0 BEADMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCC1 ZINC000080874711 182272530 /nfs/dbraw/zinc/27/25/30/182272530.db2.gz LKEIXDMDKZKUJD-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN O=C(N[C@@H]1CCCCC12CCCC2)c1ncn[nH]1 ZINC000328684641 182293223 /nfs/dbraw/zinc/29/32/23/182293223.db2.gz WWAMTXQDSRUWMN-SNVBAGLBSA-N 0 1 248.330 2.038 20 0 BEADMN O=C(N[C@@H]1CCCCC12CCCC2)c1nc[nH]n1 ZINC000328684641 182293224 /nfs/dbraw/zinc/29/32/24/182293224.db2.gz WWAMTXQDSRUWMN-SNVBAGLBSA-N 0 1 248.330 2.038 20 0 BEADMN c1nc(CN2CCCC3(CCOCC3)C2)co1 ZINC000426576985 206051284 /nfs/dbraw/zinc/05/12/84/206051284.db2.gz ALFMGJAKPIBKIW-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN COC(=O)c1ccc(CN(C)[C@H]2CC2(C)C)[nH]1 ZINC000426577936 206052375 /nfs/dbraw/zinc/05/23/75/206052375.db2.gz FRSDQZXOERHUON-NSHDSACASA-N 0 1 236.315 2.032 20 0 BEADMN CCCc1nc(C)c(CN2CC[C@H](OC)C2)o1 ZINC000428225634 206056102 /nfs/dbraw/zinc/05/61/02/206056102.db2.gz FUBJCUWJXLXWIG-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000269009635 182300444 /nfs/dbraw/zinc/30/04/44/182300444.db2.gz SITBOKDMLCTHNS-LLVKDONJSA-N 0 1 233.315 2.094 20 0 BEADMN CC[C@H](F)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000440484201 206077251 /nfs/dbraw/zinc/07/72/51/206077251.db2.gz FSZCTKLJVJHZEF-RYUDHWBXSA-N 0 1 248.305 2.232 20 0 BEADMN COC[C@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000440484802 206077690 /nfs/dbraw/zinc/07/76/90/206077690.db2.gz JNTHTFSUGVBZOY-NSHDSACASA-N 0 1 237.347 2.067 20 0 BEADMN COCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440470346 206078793 /nfs/dbraw/zinc/07/87/93/206078793.db2.gz MLXWDMPAUDCSKS-UHFFFAOYSA-N 0 1 237.347 2.068 20 0 BEADMN COCc1ccc(CN2CC[C@H](F)C2)cc1 ZINC000449392042 206096235 /nfs/dbraw/zinc/09/62/35/206096235.db2.gz ZZLQPKBFWHGXHW-ZDUSSCGKSA-N 0 1 223.291 2.377 20 0 BEADMN CCc1nc(C[S@@](=O)CCCC(C)C)n[nH]1 ZINC000194627478 206101432 /nfs/dbraw/zinc/10/14/32/206101432.db2.gz ITSYZVVNVOBDQN-INIZCTEOSA-N 0 1 243.376 2.052 20 0 BEADMN CCC(CC)[S@@](=O)Cc1n[nH]c(C2CC2)n1 ZINC000194553177 206093690 /nfs/dbraw/zinc/09/36/90/206093690.db2.gz IQPVFKSOPAJCBG-INIZCTEOSA-N 0 1 241.360 2.119 20 0 BEADMN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc2nc[nH]c21 ZINC000333514449 182344509 /nfs/dbraw/zinc/34/45/09/182344509.db2.gz UYRCAMNIYNJVHM-ILWJIGKKSA-N 0 1 241.294 2.091 20 0 BEADMN O=C(N[C@H]1CCc2c1cccc2O)C(F)(F)F ZINC000111603159 182341267 /nfs/dbraw/zinc/34/12/67/182341267.db2.gz AAAAELLYBCAFSX-QMMMGPOBSA-N 0 1 245.200 2.058 20 0 BEADMN O=C(Nc1ccccc1-c1nnc[nH]1)C1CCC1 ZINC000269883870 182377776 /nfs/dbraw/zinc/37/77/76/182377776.db2.gz BEYFSVVVFZJSBQ-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN O=C(Nc1ccsc1)C12CCCN1CCC2 ZINC000278576469 182389728 /nfs/dbraw/zinc/38/97/28/182389728.db2.gz IZPJCOQCCPQOLT-UHFFFAOYSA-N 0 1 236.340 2.315 20 0 BEADMN O=C(Nc1ccccc1F)c1ncccc1O ZINC000037760563 182380988 /nfs/dbraw/zinc/38/09/88/182380988.db2.gz QXGCWXIOIOCTQQ-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000048756048 182479600 /nfs/dbraw/zinc/47/96/00/182479600.db2.gz DUVYJUDVJRZSGU-LBPRGKRZSA-N 0 1 237.274 2.265 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000008699116 182533783 /nfs/dbraw/zinc/53/37/83/182533783.db2.gz WEBKVYGWLUFJKK-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN Cc1nnc(SCC(=O)c2ccsc2)[nH]1 ZINC001643615459 1172480539 /nfs/dbraw/zinc/48/05/39/1172480539.db2.gz LEDSQNJPTASMHP-UHFFFAOYSA-N 0 1 239.325 2.150 20 0 BEADMN Cc1n[nH]c(SCC(=O)c2ccsc2)n1 ZINC001643615459 1172480543 /nfs/dbraw/zinc/48/05/43/1172480543.db2.gz LEDSQNJPTASMHP-UHFFFAOYSA-N 0 1 239.325 2.150 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C)Cc1nc(C)no1 ZINC001643622296 1172481352 /nfs/dbraw/zinc/48/13/52/1172481352.db2.gz IJXFYSGJTLGVKC-DTWKUNHWSA-N 0 1 211.309 2.244 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C)Cc1nc(C)no1 ZINC001643622298 1172482111 /nfs/dbraw/zinc/48/21/11/1172482111.db2.gz IJXFYSGJTLGVKC-RKDXNWHRSA-N 0 1 211.309 2.244 20 0 BEADMN CC[C@@H](C)[C@H](C)N(C)Cc1nc(C)no1 ZINC001643622295 1172482744 /nfs/dbraw/zinc/48/27/44/1172482744.db2.gz IJXFYSGJTLGVKC-BDAKNGLRSA-N 0 1 211.309 2.244 20 0 BEADMN CCCCOCCNCc1occc1C ZINC000126734431 168901803 /nfs/dbraw/zinc/90/18/03/168901803.db2.gz LMKIYGONRQPLGE-UHFFFAOYSA-N 0 1 211.305 2.494 20 0 BEADMN C[C@@H]1CCC[C@@H](CC[N@@H+](C)CC(=O)[O-])C1 ZINC000178910280 134313134 /nfs/dbraw/zinc/31/31/34/134313134.db2.gz YKYQGCRYJOQGOE-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]1CCC[C@@H](CC[N@@H+](C)CC(=O)[O-])C1 ZINC000178910289 134313412 /nfs/dbraw/zinc/31/34/12/134313412.db2.gz YKYQGCRYJOQGOE-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN OCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363404394 183053782 /nfs/dbraw/zinc/05/37/82/183053782.db2.gz LSJYEDYPDCAHGU-CYBMUJFWSA-N 0 1 241.281 2.484 20 0 BEADMN OCCN(Cc1cc(F)ccc1F)C1CCC1 ZINC000221141085 183068816 /nfs/dbraw/zinc/06/88/16/183068816.db2.gz HYLVGBLPQPKUAA-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN OCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000081644660 183073756 /nfs/dbraw/zinc/07/37/56/183073756.db2.gz SHWJBYQHEVAMOZ-LLVKDONJSA-N 0 1 248.351 2.426 20 0 BEADMN OCC[C@@H](NCc1ccccc1)c1ccco1 ZINC000184507733 183091274 /nfs/dbraw/zinc/09/12/74/183091274.db2.gz WSZYYHAALAKGGW-CYBMUJFWSA-N 0 1 231.295 2.493 20 0 BEADMN OC[C@@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000273162325 183107357 /nfs/dbraw/zinc/10/73/57/183107357.db2.gz ZUMNRJUMJVKBFD-QNPGQNDZSA-N 0 1 229.682 2.201 20 0 BEADMN OC[C@@H](NCCC1CC1)c1c(F)cccc1F ZINC000359513464 183108462 /nfs/dbraw/zinc/10/84/62/183108462.db2.gz MGUXYGLCMIMTEP-GFCCVEGCSA-N 0 1 241.281 2.388 20 0 BEADMN OC[C@@]1(F)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000336220527 183134163 /nfs/dbraw/zinc/13/41/63/183134163.db2.gz UPLJFUMWGBEPQR-CQSZACIVSA-N 0 1 248.301 2.074 20 0 BEADMN CCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000336741663 169026331 /nfs/dbraw/zinc/02/63/31/169026331.db2.gz NJSGHVLTBRQADK-VIFPVBQESA-N 0 1 211.309 2.458 20 0 BEADMN OC[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000051886895 183124093 /nfs/dbraw/zinc/12/40/93/183124093.db2.gz QLTKFKXHTPEHSI-SECBINFHSA-N 0 1 243.709 2.293 20 0 BEADMN O[C@@H](CN1CC2(C1)CCCC2)CC(F)(F)F ZINC000364993234 183175323 /nfs/dbraw/zinc/17/53/23/183175323.db2.gz KJSIRFNLKJPBTI-SECBINFHSA-N 0 1 237.265 2.176 20 0 BEADMN O[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000061708571 183199968 /nfs/dbraw/zinc/19/99/68/183199968.db2.gz RWYTXJSDXZLEDN-SNVBAGLBSA-N 0 1 245.244 2.272 20 0 BEADMN CCCN(C)CC(=O)Nc1ncccc1C(C)C ZINC000337577116 169075724 /nfs/dbraw/zinc/07/57/24/169075724.db2.gz XKQNUWGELAGHOZ-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN CCCN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000049494965 169060347 /nfs/dbraw/zinc/06/03/47/169060347.db2.gz KECHXMNQIUAUOD-UHFFFAOYSA-N 0 1 244.294 2.010 20 0 BEADMN O[C@@H]1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000293006427 183193703 /nfs/dbraw/zinc/19/37/03/183193703.db2.gz DEYVHRYLVKFWRA-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN O[C@@H]1CCCN(Cc2cc(F)cc(F)c2)CC1 ZINC000292992879 183194387 /nfs/dbraw/zinc/19/43/87/183194387.db2.gz CGFNPWRDVOGQPA-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CCC[N@@H+](C)Cc1cccc(C(=O)[O-])c1 ZINC000037098643 169080692 /nfs/dbraw/zinc/08/06/92/169080692.db2.gz XRWCKDSIBMRSOR-UHFFFAOYSA-N 0 1 207.273 2.227 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(C)c1 ZINC000032013853 169099491 /nfs/dbraw/zinc/09/94/91/169099491.db2.gz OCRVXCUYQVIUMV-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cccs1 ZINC000032012838 169099530 /nfs/dbraw/zinc/09/95/30/169099530.db2.gz RWRVNRONKGQKMW-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN CCCN(CC(N)=O)Cc1ccc(C)c(C)c1 ZINC000339708183 169110768 /nfs/dbraw/zinc/11/07/68/169110768.db2.gz CXJBNAXILJWEPH-UHFFFAOYSA-N 0 1 234.343 2.001 20 0 BEADMN C[C@H](CSCC1CC1)CN1CCOCC1 ZINC001643959197 1172515725 /nfs/dbraw/zinc/51/57/25/1172515725.db2.gz SVOWYBVQLPQXDR-NSHDSACASA-N 0 1 229.389 2.098 20 0 BEADMN CCCN(CC)C(=O)[C@@H]1NCCc2ccccc21 ZINC000044426859 169116113 /nfs/dbraw/zinc/11/61/13/169116113.db2.gz MKQYUUOWPQOJBY-CQSZACIVSA-N 0 1 246.354 2.132 20 0 BEADMN C[C@@H]1CCN(CC(=O)N(C)c2ccsc2)C1 ZINC001643988511 1172515952 /nfs/dbraw/zinc/51/59/52/1172515952.db2.gz BNWIJAYSVCYRBA-SNVBAGLBSA-N 0 1 238.356 2.053 20 0 BEADMN O[C@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000293074686 183234913 /nfs/dbraw/zinc/23/49/13/183234913.db2.gz JGDYZGYNUOXFSK-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000336354374 183235287 /nfs/dbraw/zinc/23/52/87/183235287.db2.gz XJRBFEXGQCWFOP-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN O[C@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 ZINC000292898119 183235540 /nfs/dbraw/zinc/23/55/40/183235540.db2.gz AEYCRUZZFNSJHG-NSHDSACASA-N 0 1 241.281 2.312 20 0 BEADMN Oc1ccc(-c2noc([C@@H]3CCCCN3)n2)cc1 ZINC000021503540 183265384 /nfs/dbraw/zinc/26/53/84/183265384.db2.gz AYNUWZZHCURFOX-NSHDSACASA-N 0 1 245.282 2.257 20 0 BEADMN CCCN(CCC)Cc1nccc(C)n1 ZINC000336643321 169150484 /nfs/dbraw/zinc/15/04/84/169150484.db2.gz CAKYBVYOGFWQGF-UHFFFAOYSA-N 0 1 207.321 2.407 20 0 BEADMN CCCN(CC)Cc1nccc(OC)c1OC ZINC000276488252 169131998 /nfs/dbraw/zinc/13/19/98/169131998.db2.gz QEGOHOIXQIHBGM-UHFFFAOYSA-N 0 1 238.331 2.331 20 0 BEADMN CCCN(CC1CC1)C(=O)c1cc(CC)[nH]n1 ZINC000120070487 169136761 /nfs/dbraw/zinc/13/67/61/169136761.db2.gz VRNIWRJPCAYCRU-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN Oc1ccc2c(c1)OCCN(CCCCF)C2 ZINC000285627237 183279858 /nfs/dbraw/zinc/27/98/58/183279858.db2.gz WWAOKAASASBZRU-UHFFFAOYSA-N 0 1 239.290 2.336 20 0 BEADMN Oc1ccc2c(c1)[C@H](NCCF)CCC2 ZINC000285073126 183280948 /nfs/dbraw/zinc/28/09/48/183280948.db2.gz JHBFXTFZUZALOD-GFCCVEGCSA-N 0 1 209.264 2.329 20 0 BEADMN CCC[N@@H+](CCC1CCCC1)CC(=O)[O-] ZINC000184931666 169153702 /nfs/dbraw/zinc/15/37/02/169153702.db2.gz UIPKMAAPHVAEBH-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCCN(CCCCCF)CC(=O)OC ZINC000308944731 169153773 /nfs/dbraw/zinc/15/37/73/169153773.db2.gz UFUPKEUABNVZBC-UHFFFAOYSA-N 0 1 219.300 2.011 20 0 BEADMN CCC[N@@H+](CCCCC(=O)[O-])CC1CC1 ZINC000042490584 169154492 /nfs/dbraw/zinc/15/44/92/169154492.db2.gz MJAFYLYTERQYEA-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCC[N@@H+](CCCC(C)C)CC(=O)[O-] ZINC000128185441 169154634 /nfs/dbraw/zinc/15/46/34/169154634.db2.gz XFCCYUYZOLQWLQ-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN Oc1cccc(CN2CCOCC3(CC3)C2)c1 ZINC000335157928 183290324 /nfs/dbraw/zinc/29/03/24/183290324.db2.gz FXGRTTGXGQIRQO-UHFFFAOYSA-N 0 1 233.311 2.005 20 0 BEADMN CCCN(Cc1nccc(C)n1)CC1CC1 ZINC000336694954 169181885 /nfs/dbraw/zinc/18/18/85/169181885.db2.gz FKUSAXAVVYKXKA-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN c1nc(NC[C@@H]2CCSC2)cc2c1CCC2 ZINC000336360322 183319436 /nfs/dbraw/zinc/31/94/36/183319436.db2.gz BFZVBTGZTUIMHK-JTQLQIEISA-N 0 1 234.368 2.157 20 0 BEADMN c1c[nH]c([C@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000274882937 183328870 /nfs/dbraw/zinc/32/88/70/183328870.db2.gz XGAQUFFOVWXXRY-GFCCVEGCSA-N 0 1 216.288 2.075 20 0 BEADMN CCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000058847917 169201708 /nfs/dbraw/zinc/20/17/08/169201708.db2.gz RSSJMHZVNQUJIB-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCCN1CCOc2c(F)cccc2C1 ZINC000373831646 169204230 /nfs/dbraw/zinc/20/42/30/169204230.db2.gz JTMWHIRNMKUYNC-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN CCCN1CCN(c2ncc(CC)s2)CC1 ZINC000336661869 169204900 /nfs/dbraw/zinc/20/49/00/169204900.db2.gz CHNJLEZAQHDHIZ-UHFFFAOYSA-N 0 1 239.388 2.238 20 0 BEADMN CCCNC(=O)CNCc1ccc(Cl)s1 ZINC000035148397 169227631 /nfs/dbraw/zinc/22/76/31/169227631.db2.gz HDCNWUFVYBFWFY-UHFFFAOYSA-N 0 1 246.763 2.017 20 0 BEADMN c1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)n[nH]1 ZINC000377834375 183342545 /nfs/dbraw/zinc/34/25/45/183342545.db2.gz LCGOYSWKEITMFY-QWHCGFSZSA-N 0 1 249.358 2.048 20 0 BEADMN CCCNC(=O)CNc1ccc2cnccc2c1 ZINC000296996239 169230098 /nfs/dbraw/zinc/23/00/98/169230098.db2.gz SNLJRWJUXXRLLR-UHFFFAOYSA-N 0 1 243.310 2.173 20 0 BEADMN CCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000181556059 169205909 /nfs/dbraw/zinc/20/59/09/169205909.db2.gz DNQWVEBVQTXRNI-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN c1cc(CN[C@H]2CCC23CCCC3)no1 ZINC000308995831 183354074 /nfs/dbraw/zinc/35/40/74/183354074.db2.gz MNONJEGEVPMHLS-NSHDSACASA-N 0 1 206.289 2.487 20 0 BEADMN c1cc(CCCN2CCO[C@H](C3CC3)C2)ccn1 ZINC000362576434 183335808 /nfs/dbraw/zinc/33/58/08/183335808.db2.gz NYUZMVCAQHYLSC-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN c1[nH]nc2cc(CN3CCSCC3)ccc12 ZINC000126176118 183376027 /nfs/dbraw/zinc/37/60/27/183376027.db2.gz JPTLSMWNHCOVLQ-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN c1cc([C@@H]2CCCCN2C[C@@H]2CCCO2)n[nH]1 ZINC000336401651 183360459 /nfs/dbraw/zinc/36/04/59/183360459.db2.gz MRQKKVYYKGKBMN-AAEUAGOBSA-N 0 1 235.331 2.116 20 0 BEADMN CCCNCc1c(F)ccc(O)c1F ZINC000294423132 169265666 /nfs/dbraw/zinc/26/56/66/169265666.db2.gz WXMOQIGMSJAEGA-UHFFFAOYSA-N 0 1 201.216 2.170 20 0 BEADMN c1ccc(CCN2CCO[C@H](C3CC3)C2)cc1 ZINC000363775793 183393883 /nfs/dbraw/zinc/39/38/83/183393883.db2.gz RJMKMKCXWHXKFG-HNNXBMFYSA-N 0 1 231.339 2.340 20 0 BEADMN c1ccc(CN2CCC[C@H](OCC3CC3)C2)nc1 ZINC000375313002 183399596 /nfs/dbraw/zinc/39/95/96/183399596.db2.gz AINQDTCMOYVCSX-HNNXBMFYSA-N 0 1 246.354 2.473 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCCC12CCC2 ZINC000373091307 169298405 /nfs/dbraw/zinc/29/84/05/169298405.db2.gz BLTSODMADJWNHZ-LLVKDONJSA-N 0 1 225.332 2.347 20 0 BEADMN CCCOCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272482520 169307850 /nfs/dbraw/zinc/30/78/50/169307850.db2.gz RXNSJSHLADEFEB-UHFFFAOYSA-N 0 1 247.245 2.021 20 0 BEADMN CCCOCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180323495 169307937 /nfs/dbraw/zinc/30/79/37/169307937.db2.gz QLWSYDRUICISQJ-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN CCCSc1nc(-c2cccnc2)n[nH]1 ZINC000059885164 169341101 /nfs/dbraw/zinc/34/11/01/169341101.db2.gz GEXCHVHRNMPSSZ-UHFFFAOYSA-N 0 1 220.301 2.369 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(CC)C[C@H](C)OC ZINC000361559969 169347233 /nfs/dbraw/zinc/34/72/33/169347233.db2.gz YTTBZCFOVPUORS-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@@H](C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268997903 169352208 /nfs/dbraw/zinc/35/22/08/169352208.db2.gz QDKJYYORYSYIFY-MWLCHTKSSA-N 0 1 235.331 2.340 20 0 BEADMN CCC[C@@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184576117 169354236 /nfs/dbraw/zinc/35/42/36/169354236.db2.gz ZLFPEOMFJHAVRQ-MRVPVSSYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC[C@@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184576117 169354237 /nfs/dbraw/zinc/35/42/37/169354237.db2.gz ZLFPEOMFJHAVRQ-MRVPVSSYSA-N 0 1 236.319 2.447 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000225344217 169357384 /nfs/dbraw/zinc/35/73/84/169357384.db2.gz IHCHPDPFPPXLMY-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251312483 169357463 /nfs/dbraw/zinc/35/74/63/169357463.db2.gz KNYPLPACIKXTBY-ZJUUUORDSA-N 0 1 201.310 2.075 20 0 BEADMN CCC[C@@H](CC)Nc1ccncc1C(N)=O ZINC000302215405 169380439 /nfs/dbraw/zinc/38/04/39/169380439.db2.gz IWPMBWBVMNSKEM-SECBINFHSA-N 0 1 221.304 2.171 20 0 BEADMN CCC[C@@H](CNCc1csc(C)n1)OC ZINC000293676805 169384709 /nfs/dbraw/zinc/38/47/09/169384709.db2.gz MWXHMOYPOWUJTO-NSHDSACASA-N 0 1 228.361 2.356 20 0 BEADMN CCC[C@@H](O)CN[C@@H](C)c1ncc(C)s1 ZINC000295824821 169410581 /nfs/dbraw/zinc/41/05/81/169410581.db2.gz VOUMWHKCZDBOJW-VHSXEESVSA-N 0 1 228.361 2.263 20 0 BEADMN c1nc2c(ncnc2N2CC[C@H]3CCCC[C@H]32)[nH]1 ZINC000281840574 183532730 /nfs/dbraw/zinc/53/27/30/183532730.db2.gz LMNWUVDBNADKOW-NXEZZACHSA-N 0 1 243.314 2.122 20 0 BEADMN CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)[C@@H](C)O)CC2 ZINC001644423273 1172556374 /nfs/dbraw/zinc/55/63/74/1172556374.db2.gz QNUZIGVOPISSCA-NWDGAFQWSA-N 0 1 249.354 2.213 20 0 BEADMN CCC[C@](C)(O)CN[C@@H](C)c1nccs1 ZINC000129205129 169554544 /nfs/dbraw/zinc/55/45/44/169554544.db2.gz NOBUTLBPALKNGL-ONGXEEELSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H](NCc1ncc(Cl)s1)[C@H]1CCCO1 ZINC000225312582 134354566 /nfs/dbraw/zinc/35/45/66/134354566.db2.gz LMELYFBMVQJGEJ-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN O[C@@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225346468 134354705 /nfs/dbraw/zinc/35/47/05/134354705.db2.gz QTQOLJKMAZGQLT-JGVFFNPUSA-N 0 1 246.763 2.190 20 0 BEADMN CCC[C@H](C)CCCN1C[C@@H](CO)OC[C@@H]1C ZINC001644897529 1172618272 /nfs/dbraw/zinc/61/82/72/1172618272.db2.gz QJALMPVMAYDJDU-IHRRRGAJSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1coc(C)c1-c1nc([C@H]2CCCN2)no1 ZINC000647144978 383839557 /nfs/dbraw/zinc/83/95/57/383839557.db2.gz KOKMHFMSZNPTIT-SECBINFHSA-N 0 1 233.271 2.371 20 0 BEADMN C=Cn1cc(CN2CCC(OC(C)C)CC2)cn1 ZINC000560011841 383840354 /nfs/dbraw/zinc/84/03/54/383840354.db2.gz DZAOOBCTESWCOA-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN CC/C(C)=C/c1nc([C@@H]2CCCN2)no1 ZINC000647144969 383840616 /nfs/dbraw/zinc/84/06/16/383840616.db2.gz KIIGJZUNPLQPGY-FLOXNTQESA-N 0 1 207.277 2.307 20 0 BEADMN c1cc(-c2nc([C@H]3CCCN3)no2)c(C2CC2)[nH]1 ZINC000647145178 383841649 /nfs/dbraw/zinc/84/16/49/383841649.db2.gz PLGVLOWZTMGPLK-SNVBAGLBSA-N 0 1 244.298 2.367 20 0 BEADMN CCc1c(-c2nc([C@@H]3CCCN3)no2)ccn1C ZINC000647145117 383842209 /nfs/dbraw/zinc/84/22/09/383842209.db2.gz ODLYCIXTWXVBSW-JTQLQIEISA-N 0 1 246.314 2.062 20 0 BEADMN C(=C/c1nc([C@H]2CCCN2)no1)\c1cncs1 ZINC000647145221 383843011 /nfs/dbraw/zinc/84/30/11/383843011.db2.gz QMNCOAGLROQRAN-CDAZIORVSA-N 0 1 248.311 2.121 20 0 BEADMN Cc1sccc1Cc1nc([C@@H]2CCCN2)no1 ZINC000647146061 383848454 /nfs/dbraw/zinc/84/84/54/383848454.db2.gz MBYYODKWMYXZDA-JTQLQIEISA-N 0 1 249.339 2.455 20 0 BEADMN CCc1nnc(SC[C@@H]2CCCCO2)[nH]1 ZINC000048406414 383852145 /nfs/dbraw/zinc/85/21/45/383852145.db2.gz JHCUHDDWXGESOQ-QMMMGPOBSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCCCO2)n1 ZINC000048406414 383852149 /nfs/dbraw/zinc/85/21/49/383852149.db2.gz JHCUHDDWXGESOQ-QMMMGPOBSA-N 0 1 227.333 2.028 20 0 BEADMN FC1(c2nc([C@H]3CCCN3)no2)CCCC1 ZINC000647146182 383854008 /nfs/dbraw/zinc/85/40/08/383854008.db2.gz OOGZZGFVHJIMDV-MRVPVSSYSA-N 0 1 225.267 2.233 20 0 BEADMN C[C@H](NCc1cccs1)c1cnccn1 ZINC000070024724 383855743 /nfs/dbraw/zinc/85/57/43/383855743.db2.gz ZYNUFZQFMANKPT-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN C[C@@H](NCc1cccs1)c1cnccn1 ZINC000070024727 383856161 /nfs/dbraw/zinc/85/61/61/383856161.db2.gz ZYNUFZQFMANKPT-SECBINFHSA-N 0 1 219.313 2.389 20 0 BEADMN Cc1nnc(NC(=O)C[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000517738544 383872614 /nfs/dbraw/zinc/87/26/14/383872614.db2.gz OHJHAQSBKWVHOK-WCBMZHEXSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@@H](CO)CC2)o1 ZINC000336431771 383873180 /nfs/dbraw/zinc/87/31/80/383873180.db2.gz UGATZOWMMJOXCI-NWDGAFQWSA-N 0 1 238.331 2.138 20 0 BEADMN C[C@@H]1CCC[C@@H]1Cc1nc([C@H]2CCCN2)no1 ZINC000647146877 383873281 /nfs/dbraw/zinc/87/32/81/383873281.db2.gz DSCBFQWPVAZAJG-GMTAPVOTSA-N 0 1 235.331 2.473 20 0 BEADMN Cc1cnc([C@H](C)N2CCC[C@H](CO)CC2)o1 ZINC000336431772 383874447 /nfs/dbraw/zinc/87/44/47/383874447.db2.gz UGATZOWMMJOXCI-RYUDHWBXSA-N 0 1 238.331 2.138 20 0 BEADMN C[C@]1(c2nc([C@@H]3CCCN3)no2)C[C@H]2C[C@H]2C1 ZINC000647144655 383833371 /nfs/dbraw/zinc/83/33/71/383833371.db2.gz CJDZOACSBUEVMF-MPXOCVNLSA-N 0 1 233.315 2.182 20 0 BEADMN Cc1ccnc(NC(=O)c2c(O)cccc2F)c1 ZINC000119888970 383911888 /nfs/dbraw/zinc/91/18/88/383911888.db2.gz INWRBRGOJOQXGU-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN C[C@@H]1CC[C@@H](Cc2nc([C@H]3CCCN3)no2)C1 ZINC000647149306 383913073 /nfs/dbraw/zinc/91/30/73/383913073.db2.gz JNKRPUGTIDIWND-GMTAPVOTSA-N 0 1 235.331 2.473 20 0 BEADMN C[C@@H]1CC[C@H](Cc2nc([C@H]3CCCN3)no2)C1 ZINC000647149308 383913484 /nfs/dbraw/zinc/91/34/84/383913484.db2.gz JNKRPUGTIDIWND-OUAUKWLOSA-N 0 1 235.331 2.473 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)C(F)(F)F ZINC000647149635 383916026 /nfs/dbraw/zinc/91/60/26/383916026.db2.gz OWORABGTXCHDQU-WDSKDSINSA-N 0 1 235.209 2.160 20 0 BEADMN C[C@@H](c1nc([C@H]2CCCN2)no1)c1cccnc1 ZINC000647150503 383923217 /nfs/dbraw/zinc/92/32/17/383923217.db2.gz HNOKWXSVEFHQKH-MWLCHTKSSA-N 0 1 244.298 2.041 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)c1cccnc1 ZINC000647150502 383924550 /nfs/dbraw/zinc/92/45/50/383924550.db2.gz HNOKWXSVEFHQKH-KOLCDFICSA-N 0 1 244.298 2.041 20 0 BEADMN C[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000647147523 383884280 /nfs/dbraw/zinc/88/42/80/383884280.db2.gz SWBDEAYHSQAGPY-UTLUCORTSA-N 0 1 221.304 2.398 20 0 BEADMN Cc1cnc(CN[C@@H](CO)CC(C)(C)C)s1 ZINC000295908410 383889566 /nfs/dbraw/zinc/88/95/66/383889566.db2.gz ZJNXHGJGWRTEHQ-SNVBAGLBSA-N 0 1 242.388 2.338 20 0 BEADMN Cc1cc(-c2nc([C@@H]3CCCN3)no2)oc1C ZINC000647148680 383894848 /nfs/dbraw/zinc/89/48/48/383894848.db2.gz VAACDRURQDIIJU-VIFPVBQESA-N 0 1 233.271 2.371 20 0 BEADMN Fc1ccccc1CN1CCCOCC1 ZINC000334931866 383979665 /nfs/dbraw/zinc/97/96/65/383979665.db2.gz SLUMARNHNBPLAN-UHFFFAOYSA-N 0 1 209.264 2.048 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)C(F)F ZINC000449364814 383991233 /nfs/dbraw/zinc/99/12/33/383991233.db2.gz UJUBUVYZYQVSTE-NGZCFLSTSA-N 0 1 232.318 2.245 20 0 BEADMN c1c(-c2nc([C@@H]3CCCN3)no2)noc1C1CC1 ZINC000647154142 383992588 /nfs/dbraw/zinc/99/25/88/383992588.db2.gz VJUCRCOWEJXXPV-QMMMGPOBSA-N 0 1 246.270 2.027 20 0 BEADMN CC[C@H](CO)N(C)Cc1ccc(F)cc1F ZINC000293879761 383996457 /nfs/dbraw/zinc/99/64/57/383996457.db2.gz LVYGKKMFHNLFSR-LLVKDONJSA-N 0 1 229.270 2.168 20 0 BEADMN CCC[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)OC ZINC000345345993 383942572 /nfs/dbraw/zinc/94/25/72/383942572.db2.gz BYZGXHQMOYFSTE-UTUOFQBUSA-N 0 1 237.347 2.294 20 0 BEADMN CC[C@H](COC)N[C@@H](C)c1nccs1 ZINC000070634046 383947001 /nfs/dbraw/zinc/94/70/01/383947001.db2.gz LXESLTSOORPBHG-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000345350776 383947777 /nfs/dbraw/zinc/94/77/77/383947777.db2.gz OLODJOAMVFOREG-WRWGMCAJSA-N 0 1 235.331 2.046 20 0 BEADMN CC(C)[C@@H]1CCC[N@@H+](CCC(=O)[O-])CC1 ZINC000070652258 383952291 /nfs/dbraw/zinc/95/22/91/383952291.db2.gz GTLJEUUUJXOMSD-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336464908 383955286 /nfs/dbraw/zinc/95/52/86/383955286.db2.gz BWHIFWMBXIYWHA-MNOVXSKESA-N 0 1 241.285 2.195 20 0 BEADMN C[C@@H](NCCO)c1ccc(F)cc1Cl ZINC000037250585 383963285 /nfs/dbraw/zinc/96/32/85/383963285.db2.gz AYOQJXCJLSHKLV-SSDOTTSWSA-N 0 1 217.671 2.122 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)c(C)[nH]1 ZINC000647152296 383965879 /nfs/dbraw/zinc/96/58/79/383965879.db2.gz AHOACJZHHONMBU-SNVBAGLBSA-N 0 1 232.287 2.106 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCc1ccncc1 ZINC000113942632 384016714 /nfs/dbraw/zinc/01/67/14/384016714.db2.gz YAVWUQZLPXZQBC-OAHLLOKOSA-N 0 1 248.370 2.371 20 0 BEADMN CN(CCCc1ccccc1)Cc1cc[nH]n1 ZINC000114188284 384025556 /nfs/dbraw/zinc/02/55/56/384025556.db2.gz JXUZSHXRCWYJMU-UHFFFAOYSA-N 0 1 229.327 2.474 20 0 BEADMN CC(C)CNCc1nc(CC(C)C)no1 ZINC000060726338 1172631761 /nfs/dbraw/zinc/63/17/61/1172631761.db2.gz KFMZTEQZWJKVMW-UHFFFAOYSA-N 0 1 211.309 2.014 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc(F)c(F)c1 ZINC000037989179 384050223 /nfs/dbraw/zinc/05/02/23/384050223.db2.gz UYDVVZCMQZYVBF-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN CC[C@H]1CCCN(Cc2nccc(N)n2)CC1 ZINC000135086012 384029766 /nfs/dbraw/zinc/02/97/66/384029766.db2.gz BFVWFDJIDZSETQ-NSHDSACASA-N 0 1 234.347 2.071 20 0 BEADMN C(=C/c1nc([C@@H]2CCCN2)no1)\c1ccco1 ZINC000647155692 384030647 /nfs/dbraw/zinc/03/06/47/384030647.db2.gz FBGDGZAVPVALAO-PORFMDCZSA-N 0 1 231.255 2.258 20 0 BEADMN Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000090180979 384031197 /nfs/dbraw/zinc/03/11/97/384031197.db2.gz DSUDSZGEVHUYNJ-MNOVXSKESA-N 0 1 248.326 2.002 20 0 BEADMN CN(CCc1ccccc1)Cc1cc[nH]n1 ZINC000114461041 384037412 /nfs/dbraw/zinc/03/74/12/384037412.db2.gz QIOIRMXCOOIDQS-UHFFFAOYSA-N 0 1 215.300 2.084 20 0 BEADMN C(=C\c1cccnc1)\c1nc([C@@H]2CCCN2)no1 ZINC000647156641 384041099 /nfs/dbraw/zinc/04/10/99/384041099.db2.gz JZHKMGBSTOXDGR-GZTOBOFZSA-N 0 1 242.282 2.060 20 0 BEADMN CCC[C@@H](C)[C@H](CC)NCc1ncn(C)n1 ZINC000090969424 384086792 /nfs/dbraw/zinc/08/67/92/384086792.db2.gz CYIXOGPCPFJOPO-MNOVXSKESA-N 0 1 224.352 2.120 20 0 BEADMN COC[C@@H](NCc1ncccc1Cl)C1CC1 ZINC000528442297 384078948 /nfs/dbraw/zinc/07/89/48/384078948.db2.gz XRRBTQZNHTWPDB-GFCCVEGCSA-N 0 1 240.734 2.250 20 0 BEADMN Fc1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000090824818 384079970 /nfs/dbraw/zinc/07/99/70/384079970.db2.gz MKIGIXMBTCWNKM-OAHLLOKOSA-N 0 1 248.345 2.496 20 0 BEADMN CSc1ccc(CNCc2ccnn2C)cc1 ZINC000070141147 384081403 /nfs/dbraw/zinc/08/14/03/384081403.db2.gz SQYGZVXRQWVSLK-UHFFFAOYSA-N 0 1 247.367 2.432 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2CO[C@H](C)C2)n1 ZINC000401836150 384095438 /nfs/dbraw/zinc/09/54/38/384095438.db2.gz OVCCHYAMEHRYIK-UTLUCORTSA-N 0 1 226.345 2.280 20 0 BEADMN C[C@@H](NC[C@H](O)C(C)(C)C)c1nccs1 ZINC000091724076 384106254 /nfs/dbraw/zinc/10/62/54/384106254.db2.gz AARLDXQWKOFRGD-BDAKNGLRSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000158687953 384109554 /nfs/dbraw/zinc/10/95/54/384109554.db2.gz DESYZBKJGDWDNG-UWVGGRQHSA-N 0 1 235.331 2.226 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499474 384113879 /nfs/dbraw/zinc/11/38/79/384113879.db2.gz LUYFPUXOXIGFPD-CQSZACIVSA-N 0 1 245.322 2.224 20 0 BEADMN C[C@H](CC(C)(C)O)N[C@H](C)c1nccs1 ZINC000296481766 384148728 /nfs/dbraw/zinc/14/87/28/384148728.db2.gz OGVLAZOCTIWZJF-RKDXNWHRSA-N 0 1 228.361 2.343 20 0 BEADMN Cc1nocc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000293948951 384155553 /nfs/dbraw/zinc/15/55/53/384155553.db2.gz OXOFMELCBDKRQK-WDEREUQCSA-N 0 1 242.269 2.460 20 0 BEADMN COc1ccc(CCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000070921319 384140540 /nfs/dbraw/zinc/14/05/40/384140540.db2.gz ACOTWUGBYSEUSZ-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN C[C@@H](N[C@@H](C)CO)c1nc2c(s1)CCCC2 ZINC000091730203 384141524 /nfs/dbraw/zinc/14/15/24/384141524.db2.gz CNPBRRNWZLJQDF-DTWKUNHWSA-N 0 1 240.372 2.053 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1c(F)cccc1F ZINC000070967693 384145283 /nfs/dbraw/zinc/14/52/83/384145283.db2.gz HWZWGCITUQUDMM-BDAKNGLRSA-N 0 1 227.254 2.404 20 0 BEADMN Cc1cc(C[N@@H+](C)CC(=O)[O-])c2ccccc2n1 ZINC000092346807 384173151 /nfs/dbraw/zinc/17/31/51/384173151.db2.gz VMCZZZYMZYZOCG-UHFFFAOYSA-N 0 1 244.294 2.060 20 0 BEADMN COCCCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081569549 384186943 /nfs/dbraw/zinc/18/69/43/384186943.db2.gz YQZMFAUIMMEZNO-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN Cc1cc(C)cc(C[N@@H+](C)CCCO)c1 ZINC000278787363 384195773 /nfs/dbraw/zinc/19/57/73/384195773.db2.gz NZHBXBAUPPMQFQ-UHFFFAOYSA-N 0 1 207.317 2.118 20 0 BEADMN COC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285725288 384208006 /nfs/dbraw/zinc/20/80/06/384208006.db2.gz PPUKIKLDGWPDKB-YPMHNXCESA-N 0 1 233.311 2.243 20 0 BEADMN Fc1ccc2c(c1)CCN(C[C@@H]1CCCO1)C2 ZINC000119070665 384230444 /nfs/dbraw/zinc/23/04/44/384230444.db2.gz WCFKBCBWFVBKRD-AWEZNQCLSA-N 0 1 235.302 2.363 20 0 BEADMN C[C@@H](NC[C@H](C)O)c1nc2c(s1)CCCC2 ZINC000093368210 384231805 /nfs/dbraw/zinc/23/18/05/384231805.db2.gz DLUGITCDKLCHDX-DTWKUNHWSA-N 0 1 240.372 2.053 20 0 BEADMN CCCc1noc(CN2CCC[C@@H]2C2CC2)n1 ZINC000363384514 384234050 /nfs/dbraw/zinc/23/40/50/384234050.db2.gz LNSYRUQJYQGSEB-LLVKDONJSA-N 0 1 235.331 2.397 20 0 BEADMN C(c1nc(C2CC2)no1)N1CCC[C@@H]1C1CC1 ZINC000363384859 384237398 /nfs/dbraw/zinc/23/73/98/384237398.db2.gz QORBMVVPCUFPAJ-LLVKDONJSA-N 0 1 233.315 2.321 20 0 BEADMN C[C@@H]1C[C@H](Nc2cccc(F)n2)C[N@H+]1C1CC1 ZINC000228296772 384219942 /nfs/dbraw/zinc/21/99/42/384219942.db2.gz IRJHJRDILDKTEE-ZJUUUORDSA-N 0 1 235.306 2.258 20 0 BEADMN COC[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132622713 384240817 /nfs/dbraw/zinc/24/08/17/384240817.db2.gz VVFLYDJBGRTQAH-SECBINFHSA-N 0 1 211.330 2.141 20 0 BEADMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(F)cc1 ZINC000158559913 384243477 /nfs/dbraw/zinc/24/34/77/384243477.db2.gz ZWXFKPSUVZSCAX-QLJPJBMISA-N 0 1 243.347 2.025 20 0 BEADMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(F)cc1 ZINC000158560049 384243643 /nfs/dbraw/zinc/24/36/43/384243643.db2.gz ZWXFKPSUVZSCAX-QFYYESIMSA-N 0 1 243.347 2.025 20 0 BEADMN N#Cc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000380379522 384243666 /nfs/dbraw/zinc/24/36/66/384243666.db2.gz MXDBCZWQKQSUDO-TXEJJXNPSA-N 0 1 216.259 2.149 20 0 BEADMN C[C@H]1SCCN(Cc2ccc(CO)o2)[C@H]1C ZINC000093500996 384243822 /nfs/dbraw/zinc/24/38/22/384243822.db2.gz JVUFQMDIWWDCHL-VHSXEESVSA-N 0 1 241.356 2.098 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@H](C)c1nccs1 ZINC000133359779 384244206 /nfs/dbraw/zinc/24/42/06/384244206.db2.gz CUUYTYUKGPYOGO-IWSPIJDZSA-N 0 1 214.334 2.217 20 0 BEADMN CC[C@H]1CN(Cc2cncs2)CCS1 ZINC000093502063 384245861 /nfs/dbraw/zinc/24/58/61/384245861.db2.gz FJRFOSLNZUZLAF-VIFPVBQESA-N 0 1 228.386 2.471 20 0 BEADMN c1csc(CN2CCOC[C@H]2C2CC2)c1 ZINC000093645365 384254747 /nfs/dbraw/zinc/25/47/47/384254747.db2.gz YONKIIVEFNWJOS-LBPRGKRZSA-N 0 1 223.341 2.359 20 0 BEADMN c1csc(CN2CCOC[C@@H]2C2CC2)c1 ZINC000093645364 384255275 /nfs/dbraw/zinc/25/52/75/384255275.db2.gz YONKIIVEFNWJOS-GFCCVEGCSA-N 0 1 223.341 2.359 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000158688232 384257245 /nfs/dbraw/zinc/25/72/45/384257245.db2.gz DESYZBKJGDWDNG-VHSXEESVSA-N 0 1 235.331 2.226 20 0 BEADMN COc1ccnc(CN(C)[C@H]2CC2(C)C)c1 ZINC000489414066 384259650 /nfs/dbraw/zinc/25/96/50/384259650.db2.gz NCJZXCHSMDZHQD-LBPRGKRZSA-N 0 1 220.316 2.321 20 0 BEADMN CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)[O-] ZINC000082717780 384260023 /nfs/dbraw/zinc/26/00/23/384260023.db2.gz MEIYMSOLVDKITL-LLVKDONJSA-N 0 1 225.263 2.293 20 0 BEADMN CCC[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000093704818 384264938 /nfs/dbraw/zinc/26/49/38/384264938.db2.gz BQHRRCVSTKKMDM-LLVKDONJSA-N 0 1 207.321 2.422 20 0 BEADMN CCc1ccc(CNCC(=O)NC(C)(C)C)cc1 ZINC000073869974 384268014 /nfs/dbraw/zinc/26/80/14/384268014.db2.gz VIJMAAKHGWJWRQ-UHFFFAOYSA-N 0 1 248.370 2.253 20 0 BEADMN Cc1noc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000082858826 384270573 /nfs/dbraw/zinc/27/05/73/384270573.db2.gz FCFBMOXVRIDPRW-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN CCc1cnc(CNC(CC)(CC)CCO)o1 ZINC000558744515 384271690 /nfs/dbraw/zinc/27/16/90/384271690.db2.gz SANQJMWFNZVTDU-UHFFFAOYSA-N 0 1 240.347 2.268 20 0 BEADMN C[C@H]1C[C@@H](NCc2cc(F)ccc2F)CO1 ZINC000335426303 384273632 /nfs/dbraw/zinc/27/36/32/384273632.db2.gz STWLOWUDAXELBR-GZMMTYOYSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)C(C)(C)C1 ZINC000380374006 384242114 /nfs/dbraw/zinc/24/21/14/384242114.db2.gz FHYHPVOTGHHLLJ-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[C@@](C)(O)CNCc1ncc(Cl)s1 ZINC000308818741 384310141 /nfs/dbraw/zinc/31/01/41/384310141.db2.gz BTALSOZIZDUTIT-JTQLQIEISA-N 0 1 248.779 2.293 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[nH]n1 ZINC000133812350 384314910 /nfs/dbraw/zinc/31/49/10/384314910.db2.gz MRSMGRWYDADUOA-XHVZSJERSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1nocc1CNCc1cccs1 ZINC000294056537 384316127 /nfs/dbraw/zinc/31/61/27/384316127.db2.gz JSNOWPKFEPIQSO-UHFFFAOYSA-N 0 1 208.286 2.334 20 0 BEADMN C[C@@H](N[C@@H](C)C(C)(F)F)C1CCOCC1 ZINC000449411174 384291676 /nfs/dbraw/zinc/29/16/76/384291676.db2.gz AGZJAYYHQQADTJ-BDAKNGLRSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@@H](N[C@@H](C)C1CCOCC1)C(C)(F)F ZINC000449411175 384293780 /nfs/dbraw/zinc/29/37/80/384293780.db2.gz AGZJAYYHQQADTJ-DTWKUNHWSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](CCn1cccn1)N[C@H](C)C(C)(F)F ZINC000449412693 384297895 /nfs/dbraw/zinc/29/78/95/384297895.db2.gz GGRWYTFNJLBWGP-NXEZZACHSA-N 0 1 231.290 2.295 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])cc1F ZINC000083406884 384299118 /nfs/dbraw/zinc/29/91/18/384299118.db2.gz WNXXPSPEDZKVJC-SECBINFHSA-N 0 1 225.263 2.039 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C)s1 ZINC000083411575 384300579 /nfs/dbraw/zinc/30/05/79/384300579.db2.gz HDIFWSYWIXCEFH-UHFFFAOYSA-N 0 1 227.329 2.353 20 0 BEADMN CC(C)CCNC(=O)c1cccc2nc[nH]c21 ZINC000074732422 384302948 /nfs/dbraw/zinc/30/29/48/384302948.db2.gz RSMSOCDKFZIAOV-UHFFFAOYSA-N 0 1 231.299 2.339 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCCCC1 ZINC000074732335 384303219 /nfs/dbraw/zinc/30/32/19/384303219.db2.gz IJEQXTZRGVOVRZ-UHFFFAOYSA-N 0 1 229.283 2.189 20 0 BEADMN CCc1cnc(NC(=O)c2ncccc2O)s1 ZINC000174602174 384345178 /nfs/dbraw/zinc/34/51/78/384345178.db2.gz YFGUIVFWHGCHJN-UHFFFAOYSA-N 0 1 249.295 2.058 20 0 BEADMN C[C@@H](N[C@H]1CSC1(C)C)c1ccncn1 ZINC000335585745 384346672 /nfs/dbraw/zinc/34/66/72/384346672.db2.gz XBFABLLCNAXVDC-SCZZXKLOSA-N 0 1 223.345 2.021 20 0 BEADMN Cc1cc(CC(=O)NC[C@@H]2CCC[C@H](C)C2)[nH]n1 ZINC000126053395 384360305 /nfs/dbraw/zinc/36/03/05/384360305.db2.gz UVYMUXFJQZMIDS-CMPLNLGQSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@@H](C[NH2+]Cc1ccco1)N1CCCC1 ZINC000120594379 384362911 /nfs/dbraw/zinc/36/29/11/384362911.db2.gz AHFKXNJALQYXLN-LBPRGKRZSA-N 0 1 222.332 2.244 20 0 BEADMN CC(C)(C)OC1CCN(Cc2ccno2)CC1 ZINC000533479090 384363110 /nfs/dbraw/zinc/36/31/10/384363110.db2.gz LYASGQVZORIIJJ-UHFFFAOYSA-N 0 1 238.331 2.454 20 0 BEADMN CCC[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000134560088 384367949 /nfs/dbraw/zinc/36/79/49/384367949.db2.gz VFDFWFUWIODUKF-NSHDSACASA-N 0 1 235.331 2.370 20 0 BEADMN Cc1nccc(N2CCC(C)(O)CC2)c1Cl ZINC000335557907 384327096 /nfs/dbraw/zinc/32/70/96/384327096.db2.gz QASIWJCRJNXCAL-UHFFFAOYSA-N 0 1 240.734 2.395 20 0 BEADMN CCc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)o1 ZINC000449425834 384331231 /nfs/dbraw/zinc/33/12/31/384331231.db2.gz SWELSVNOJKAOIE-QWRGUYRKSA-N 0 1 247.285 2.336 20 0 BEADMN C[C@]1(NCc2cccc(F)c2F)CCOC1 ZINC000120184239 384334029 /nfs/dbraw/zinc/33/40/29/384334029.db2.gz YOCUNKLQOCYSMP-LBPRGKRZSA-N 0 1 227.254 2.233 20 0 BEADMN CO[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000075712826 384334555 /nfs/dbraw/zinc/33/45/55/384334555.db2.gz CQDJKOKRVWGWNA-LSDHHAIUSA-N 0 1 249.354 2.139 20 0 BEADMN C[C@H](CNCc1cocn1)CC(F)F ZINC000647226573 384396790 /nfs/dbraw/zinc/39/67/90/384396790.db2.gz MNMGLLOUKBINCG-ZETCQYMHSA-N 0 1 204.220 2.056 20 0 BEADMN FC1(F)CCC[C@@H](CN2CCOCC2)C1 ZINC000309055515 384398530 /nfs/dbraw/zinc/39/85/30/384398530.db2.gz SPCBRYVPZIDMOF-SNVBAGLBSA-N 0 1 219.275 2.144 20 0 BEADMN CN(C)CC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000134995274 384405981 /nfs/dbraw/zinc/40/59/81/384405981.db2.gz QWEIOENYBMUFBV-CYBMUJFWSA-N 0 1 246.354 2.087 20 0 BEADMN CC(C)(C)CC(C)(C)NCc1nccc(N)n1 ZINC000135036114 384409222 /nfs/dbraw/zinc/40/92/22/384409222.db2.gz ZTKMFTLXNINEHV-UHFFFAOYSA-N 0 1 236.363 2.363 20 0 BEADMN CCC(CC)[S@](=O)C=C(O)c1ccc[nH]1 ZINC000108130823 384409747 /nfs/dbraw/zinc/40/97/47/384409747.db2.gz ATUOBVUNLBKJOT-HNNXBMFYSA-N 0 1 227.329 2.135 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(C)cc(F)c1 ZINC000135042002 384409813 /nfs/dbraw/zinc/40/98/13/384409813.db2.gz UWHKZGTYKTYFDX-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CSC[C@H]1CCCN1Cc1nccs1 ZINC000135163316 384417801 /nfs/dbraw/zinc/41/78/01/384417801.db2.gz TZGGIKZAHCRMBD-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN CC(C)n1cc(CN2CC(C3CC3)C2)cn1 ZINC000643345826 384427395 /nfs/dbraw/zinc/42/73/95/384427395.db2.gz PEMASAUYBCYKKD-UHFFFAOYSA-N 0 1 219.332 2.306 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000449427388 384375862 /nfs/dbraw/zinc/37/58/62/384375862.db2.gz NXHBYMAPVSECIJ-LBPRGKRZSA-N 0 1 249.310 2.441 20 0 BEADMN COCc1ccc(CN2CC(C3CC3)C2)o1 ZINC000643345170 384376447 /nfs/dbraw/zinc/37/64/47/384376447.db2.gz FTTQGADYYGWVIU-UHFFFAOYSA-N 0 1 221.300 2.268 20 0 BEADMN C[C@H]1CC[C@@H](NCc2nn(C)cc2Cl)C1 ZINC000335617942 384389798 /nfs/dbraw/zinc/38/97/98/384389798.db2.gz NKVUGCROZYHVSL-DTWKUNHWSA-N 0 1 227.739 2.352 20 0 BEADMN CCC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000120977048 384391339 /nfs/dbraw/zinc/39/13/39/384391339.db2.gz NIGIPVBFVIMTKI-NSHDSACASA-N 0 1 207.321 2.422 20 0 BEADMN CCC[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000120977048 384391342 /nfs/dbraw/zinc/39/13/42/384391342.db2.gz NIGIPVBFVIMTKI-NSHDSACASA-N 0 1 207.321 2.422 20 0 BEADMN NCc1ccc(C(=O)N[C@H]2CC23CCCCC3)o1 ZINC000335650047 384428093 /nfs/dbraw/zinc/42/80/93/384428093.db2.gz QHQVDQATWWTEIK-LBPRGKRZSA-N 0 1 248.326 2.191 20 0 BEADMN CC/C=C/CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000516932387 384428549 /nfs/dbraw/zinc/42/85/49/384428549.db2.gz MNGUOBTYGDGYPO-PGLGOXFNSA-N 0 1 243.372 2.235 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC000082501673 384429173 /nfs/dbraw/zinc/42/91/73/384429173.db2.gz MNCWANVJOUKCLZ-MRVPVSSYSA-N 0 1 225.313 2.431 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000121785665 384439939 /nfs/dbraw/zinc/43/99/39/384439939.db2.gz VMDAUUINEDKZLT-SECBINFHSA-N 0 1 235.331 2.063 20 0 BEADMN CCCc1cc(C(=O)N(C)Cc2ccco2)n[nH]1 ZINC000029497444 384443177 /nfs/dbraw/zinc/44/31/77/384443177.db2.gz WJZIMDRYRIOYJL-UHFFFAOYSA-N 0 1 247.298 2.227 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000036787682 384459555 /nfs/dbraw/zinc/45/95/55/384459555.db2.gz GBSISGJFCJDZRL-VIFPVBQESA-N 0 1 225.288 2.454 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC(C)(C)O ZINC000078777833 384463345 /nfs/dbraw/zinc/46/33/45/384463345.db2.gz XGOUXLOKHLLXGG-UHFFFAOYSA-N 0 1 234.299 2.031 20 0 BEADMN C[C@@H](NCCc1ccccn1)c1cscn1 ZINC000161131199 384468207 /nfs/dbraw/zinc/46/82/07/384468207.db2.gz GQOJWNWDNPSLDZ-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN CC(=O)c1cccc(NC(=O)c2cn[nH]c2C)c1 ZINC000070212049 384469223 /nfs/dbraw/zinc/46/92/23/384469223.db2.gz MZPJMRSCMDQZJO-UHFFFAOYSA-N 0 1 243.266 2.173 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(C)c1 ZINC000070206774 384469365 /nfs/dbraw/zinc/46/93/65/384469365.db2.gz MYNAUTUTNNIPFU-UHFFFAOYSA-N 0 1 215.256 2.279 20 0 BEADMN CC(C)CC[N@@H+](CCC(=O)[O-])CC(C)C ZINC000016849677 384470532 /nfs/dbraw/zinc/47/05/32/384470532.db2.gz CMUPABOEPBIAJB-UHFFFAOYSA-N 0 1 215.337 2.465 20 0 BEADMN C[C@H]1C[C@H](NCc2c(F)cccc2F)CO1 ZINC000335663572 384476190 /nfs/dbraw/zinc/47/61/90/384476190.db2.gz NUQKLRXHLTZGDG-IUCAKERBSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@@H](NCCc1ccncc1)c1cscn1 ZINC000161226822 384477797 /nfs/dbraw/zinc/47/77/97/384477797.db2.gz XXUDLLIHUGRYBN-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN COC(=O)[C@@H]1CCCN1Cc1c(C)cccc1C ZINC000096811107 384479113 /nfs/dbraw/zinc/47/91/13/384479113.db2.gz JQTFRJAVSDXNMF-AWEZNQCLSA-N 0 1 247.338 2.441 20 0 BEADMN CONC(=O)[C@H](c1ccccc1)C(C)C ZINC000079453528 384496619 /nfs/dbraw/zinc/49/66/19/384496619.db2.gz PXLDBKUCLBAEKW-NSHDSACASA-N 0 1 207.273 2.104 20 0 BEADMN C[C@H](c1cccnc1)N(C)Cc1ccc(N)nc1 ZINC000647518390 384502293 /nfs/dbraw/zinc/50/22/93/384502293.db2.gz FOZKZKQVOICSIX-LLVKDONJSA-N 0 1 242.326 2.082 20 0 BEADMN C[C@H](NCCC[C@@H]1CCOC1)c1csnn1 ZINC000400582518 384504011 /nfs/dbraw/zinc/50/40/11/384504011.db2.gz UKAYMDQYIVMGMP-VHSXEESVSA-N 0 1 241.360 2.005 20 0 BEADMN C[C@H](NCc1cncn1C)c1ccsc1 ZINC000085169549 384508278 /nfs/dbraw/zinc/50/82/78/384508278.db2.gz LNNRZUVCPRSLQZ-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])o1 ZINC000300272929 384490352 /nfs/dbraw/zinc/49/03/52/384490352.db2.gz OAUUGUPAQQOGQS-SKDRFNHKSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])o1 ZINC000300272927 384490569 /nfs/dbraw/zinc/49/05/69/384490569.db2.gz OAUUGUPAQQOGQS-CABZTGNLSA-N 0 1 237.299 2.273 20 0 BEADMN COc1nccnc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000449241027 384495005 /nfs/dbraw/zinc/49/50/05/384495005.db2.gz QOXSVJQLCAHKSB-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000238159265 384517140 /nfs/dbraw/zinc/51/71/40/384517140.db2.gz WVUUCWKBRBDSJB-CYBMUJFWSA-N 0 1 233.311 2.341 20 0 BEADMN CCc1cc(C(=O)N(CC(F)F)C(C)C)n[nH]1 ZINC000161939671 384548672 /nfs/dbraw/zinc/54/86/72/384548672.db2.gz SWPALLRQRCSGMV-UHFFFAOYSA-N 0 1 245.273 2.088 20 0 BEADMN CN(CCCNCc1ncc[nH]1)c1ccccc1 ZINC000049714504 384556351 /nfs/dbraw/zinc/55/63/51/384556351.db2.gz GRXALHIIJRSMAG-UHFFFAOYSA-N 0 1 244.342 2.026 20 0 BEADMN C[C@H]1C[C@@H](O)CN(Cc2ccc(F)c(F)c2)C1 ZINC000334745678 384558658 /nfs/dbraw/zinc/55/86/58/384558658.db2.gz IZXDTRCVQWYKAA-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN OC[C@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000049751984 384561683 /nfs/dbraw/zinc/56/16/83/384561683.db2.gz SGQIKHOBDWPJBZ-LLVKDONJSA-N 0 1 246.310 2.175 20 0 BEADMN c1c(CN2CCC3(CCC3)C2)nc2ncccn12 ZINC000123574355 384570941 /nfs/dbraw/zinc/57/09/41/384570941.db2.gz GANNWCXELBWOEE-UHFFFAOYSA-N 0 1 242.326 2.105 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903961 384574874 /nfs/dbraw/zinc/57/48/74/384574874.db2.gz JAWYWVQFUXLRKB-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN C[C@H]1C[C@@H](NCC(F)(F)CO)CC(C)(C)C1 ZINC000183871187 384580550 /nfs/dbraw/zinc/58/05/50/384580550.db2.gz FYHAXLVBRKOQTM-VHSXEESVSA-N 0 1 235.318 2.418 20 0 BEADMN Cc1ncccc1CN[C@H]1CCC[C@H]1F ZINC000335897137 384590925 /nfs/dbraw/zinc/59/09/25/384590925.db2.gz VMFSPHSKPHPIMA-NEPJUHHUSA-N 0 1 208.280 2.370 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCc1ccc(C)cc1 ZINC000172415066 384584229 /nfs/dbraw/zinc/58/42/29/384584229.db2.gz RRIARBJZGKPTBS-AWEZNQCLSA-N 0 1 247.338 2.175 20 0 BEADMN CC(C)N(C)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000172410153 384584239 /nfs/dbraw/zinc/58/42/39/384584239.db2.gz HVCMANLIIFMFBB-ZDUSSCGKSA-N 0 1 248.370 2.374 20 0 BEADMN CCN(CCC(=O)OC)Cc1ccccc1F ZINC000050053744 384587683 /nfs/dbraw/zinc/58/76/83/384587683.db2.gz BUFJKFVXMCQKQD-UHFFFAOYSA-N 0 1 239.290 2.211 20 0 BEADMN CCN(CC)Cc1ccc(C(=O)OC)cc1F ZINC000134915138 384567662 /nfs/dbraw/zinc/56/76/62/384567662.db2.gz GPGSPHFQJHBRLM-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)c1ccsc1 ZINC000050183595 384605771 /nfs/dbraw/zinc/60/57/71/384605771.db2.gz YIALDTXNRMKJFK-UHFFFAOYSA-N 0 1 249.339 2.142 20 0 BEADMN CC(C)CC[S@@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427464978 384612955 /nfs/dbraw/zinc/61/29/55/384612955.db2.gz FQBRSAYUDABOJW-MRXNPFEDSA-N 0 1 243.376 2.223 20 0 BEADMN C[C@@H](NCc1cc[nH]c1)c1ccncc1F ZINC000309791679 384613096 /nfs/dbraw/zinc/61/30/96/384613096.db2.gz PJEXBOQNIZNPBD-SECBINFHSA-N 0 1 219.263 2.400 20 0 BEADMN CCC[C@H](C)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184576136 384624130 /nfs/dbraw/zinc/62/41/30/384624130.db2.gz ZLFPEOMFJHAVRQ-QMMMGPOBSA-N 0 1 236.319 2.447 20 0 BEADMN CCC[C@H](C)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184576136 384624135 /nfs/dbraw/zinc/62/41/35/384624135.db2.gz ZLFPEOMFJHAVRQ-QMMMGPOBSA-N 0 1 236.319 2.447 20 0 BEADMN C[C@H](C(=O)Nc1nc(C2CCC2)n[nH]1)C1CC1 ZINC000184613960 384627268 /nfs/dbraw/zinc/62/72/68/384627268.db2.gz WTTMZJYNSFMQGD-ZETCQYMHSA-N 0 1 234.303 2.057 20 0 BEADMN C[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)C1CC1 ZINC000184613960 384627273 /nfs/dbraw/zinc/62/72/73/384627273.db2.gz WTTMZJYNSFMQGD-ZETCQYMHSA-N 0 1 234.303 2.057 20 0 BEADMN COC[C@@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000172877365 384632196 /nfs/dbraw/zinc/63/21/96/384632196.db2.gz MARLXVDCUZSFQT-ZFWWWQNUSA-N 0 1 249.354 2.137 20 0 BEADMN C[C@@H](NC[C@H]1CCCO1)c1cc2n(n1)CCCC2 ZINC000647280313 384662869 /nfs/dbraw/zinc/66/28/69/384662869.db2.gz FJCKROZSZIJCHQ-DGCLKSJQSA-N 0 1 249.358 2.049 20 0 BEADMN CC[N@H+]1CCC[C@H](NC(=O)CCCC(C)C)C1 ZINC000448919291 384668666 /nfs/dbraw/zinc/66/86/66/384668666.db2.gz ZMYFTQZNXQHTOF-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN Cc1cc(C)cc(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000037933046 384669273 /nfs/dbraw/zinc/66/92/73/384669273.db2.gz ZUUGHEGYRATGTK-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CCC[C@@H](NCc1ccnn1C)c1cccnc1 ZINC000184996132 384669731 /nfs/dbraw/zinc/66/97/31/384669731.db2.gz RIUSZZQOWGMSNX-CQSZACIVSA-N 0 1 244.342 2.446 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@H]2CCCOC2)o1 ZINC000356982980 384672098 /nfs/dbraw/zinc/67/20/98/384672098.db2.gz LPMGGMQZMLCZJL-VXGBXAGGSA-N 0 1 238.331 2.402 20 0 BEADMN CSCCCCCNCc1cocn1 ZINC000277073565 384673441 /nfs/dbraw/zinc/67/34/41/384673441.db2.gz STFSWPDXAFEMRD-UHFFFAOYSA-N 0 1 214.334 2.298 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCCOC2)o1 ZINC000356982944 384673596 /nfs/dbraw/zinc/67/35/96/384673596.db2.gz LPMGGMQZMLCZJL-NWDGAFQWSA-N 0 1 238.331 2.402 20 0 BEADMN Cc1noc([C@@H](C)NC2CCCCC2)n1 ZINC000335913691 384676594 /nfs/dbraw/zinc/67/65/94/384676594.db2.gz BDSKDOVZMKZBOH-MRVPVSSYSA-N 0 1 209.293 2.361 20 0 BEADMN Cc1ccc(C)c(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000042321472 384635042 /nfs/dbraw/zinc/63/50/42/384635042.db2.gz OHKSLJYPDRJFNL-UHFFFAOYSA-N 0 1 233.311 2.352 20 0 BEADMN COC[C@@H]1CN(Cc2c(C)cccc2C)CCO1 ZINC000172893151 384635232 /nfs/dbraw/zinc/63/52/32/384635232.db2.gz RDKIAKNKCBOWCZ-AWEZNQCLSA-N 0 1 249.354 2.151 20 0 BEADMN Cc1cc(C)c(NC(=O)N2CCNCC2)c(C)c1 ZINC000041299484 384636282 /nfs/dbraw/zinc/63/62/82/384636282.db2.gz AKNHBFJYIFTWQF-UHFFFAOYSA-N 0 1 247.342 2.049 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647351032 384636803 /nfs/dbraw/zinc/63/68/03/384636803.db2.gz JZACUAWXKQWKOH-IJLUTSLNSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647351031 384636880 /nfs/dbraw/zinc/63/68/80/384636880.db2.gz JZACUAWXKQWKOH-GRYCIOLGSA-N 0 1 249.358 2.047 20 0 BEADMN CCCNC(=O)CNCc1cc(Cl)cs1 ZINC000086332367 384643763 /nfs/dbraw/zinc/64/37/63/384643763.db2.gz CDBLHPUYGQGLRN-UHFFFAOYSA-N 0 1 246.763 2.017 20 0 BEADMN CC[C@H](NC[C@H](O)C(C)C)c1nccs1 ZINC000300940536 384723676 /nfs/dbraw/zinc/72/36/76/384723676.db2.gz XRPHUDKLNFGVAZ-UWVGGRQHSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C)C3(CCC3)C2)[nH]1 ZINC000271308044 384725544 /nfs/dbraw/zinc/72/55/44/384725544.db2.gz IAAWVZWREBCZPT-JTQLQIEISA-N 0 1 247.342 2.370 20 0 BEADMN Cc1cnc([C@@H](C)NCC2=CCCOC2)s1 ZINC000124804588 384676966 /nfs/dbraw/zinc/67/69/66/384676966.db2.gz SNEMXPDSTVVETL-SNVBAGLBSA-N 0 1 238.356 2.449 20 0 BEADMN C[C@@H](N[C@@H]1CC12CC2)c1cc2n(n1)CCC2 ZINC000335249033 384678076 /nfs/dbraw/zinc/67/80/76/384678076.db2.gz MKKFXLZMQHZTCX-BXKDBHETSA-N 0 1 217.316 2.032 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC[C@H]2C)n1 ZINC000335913809 384678602 /nfs/dbraw/zinc/67/86/02/384678602.db2.gz QFRNKLGEFGADDE-MWLCHTKSSA-N 0 1 205.305 2.063 20 0 BEADMN OC[C@@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000049751986 384681239 /nfs/dbraw/zinc/68/12/39/384681239.db2.gz SGQIKHOBDWPJBZ-NSHDSACASA-N 0 1 246.310 2.175 20 0 BEADMN CC[C@](C)(CN[C@@H](C)c1nnc(C)s1)OC ZINC000319933069 384684435 /nfs/dbraw/zinc/68/44/35/384684435.db2.gz SWUCJIVCWSXAEZ-GZMMTYOYSA-N 0 1 243.376 2.312 20 0 BEADMN Cc1occc1CN(C)CCC(=O)OC(C)C ZINC000173564239 384693920 /nfs/dbraw/zinc/69/39/20/384693920.db2.gz BOQXZYOXLMYUTP-UHFFFAOYSA-N 0 1 239.315 2.362 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(F)c(C)c1)N(C)C ZINC000162849757 384697148 /nfs/dbraw/zinc/69/71/48/384697148.db2.gz KEYRNYAUFOSPBN-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@](C)(O)CNCc1c(F)cccc1F ZINC000082687243 384703534 /nfs/dbraw/zinc/70/35/34/384703534.db2.gz LKALODHCMYMPQG-LBPRGKRZSA-N 0 1 229.270 2.215 20 0 BEADMN Cn1ccnc1CNC[C@H]1CCCCC1(F)F ZINC000294267810 384711081 /nfs/dbraw/zinc/71/10/81/384711081.db2.gz RLVGQSHKPLLBNL-SNVBAGLBSA-N 0 1 243.301 2.335 20 0 BEADMN C[C@H](O)CCCNCc1csc(C2CC2)n1 ZINC000309904327 384712799 /nfs/dbraw/zinc/71/27/99/384712799.db2.gz JKNHRSYJNFZBKN-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN CSCCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000173750101 384716503 /nfs/dbraw/zinc/71/65/03/384716503.db2.gz UJBDKEAKRKDJNB-GFCCVEGCSA-N 0 1 231.405 2.486 20 0 BEADMN CC[C@H](CC(=O)NCC[N@@H+](C)CC)C(C)C ZINC000105329148 384774608 /nfs/dbraw/zinc/77/46/08/384774608.db2.gz RHQBDXPGBFSIKG-GFCCVEGCSA-N 0 1 228.380 2.127 20 0 BEADMN C[C@H](CCc1ccco1)NCc1ncccn1 ZINC000054459599 384735295 /nfs/dbraw/zinc/73/52/95/384735295.db2.gz IVWGKOVUFISXHC-LLVKDONJSA-N 0 1 231.299 2.181 20 0 BEADMN COC(=O)c1coc(CN(C)C2CCC2)c1 ZINC000173920475 384735219 /nfs/dbraw/zinc/73/52/19/384735219.db2.gz WBNWPRCOJJHKTP-UHFFFAOYSA-N 0 1 223.272 2.051 20 0 BEADMN C[C@@H]1C[C@H](O)CN(Cc2nc3ccccc3o2)C1 ZINC000334827493 384740459 /nfs/dbraw/zinc/74/04/59/384740459.db2.gz QRNYNJFDCZWSGO-MNOVXSKESA-N 0 1 246.310 2.031 20 0 BEADMN C[C@H](Cn1cccn1)N[C@H](C)c1nccs1 ZINC000083142991 384744234 /nfs/dbraw/zinc/74/42/34/384744234.db2.gz YOTZFVHRBNYBJT-NXEZZACHSA-N 0 1 236.344 2.079 20 0 BEADMN C[C@@H](N[C@@H](C)Cn1ccnc1)c1nccs1 ZINC000083142997 384746161 /nfs/dbraw/zinc/74/61/61/384746161.db2.gz QYRHBNAFINZGKZ-VHSXEESVSA-N 0 1 236.344 2.079 20 0 BEADMN CC(C)C[C@H](CO)N[C@@H](C)c1nccs1 ZINC000083143123 384746636 /nfs/dbraw/zinc/74/66/36/384746636.db2.gz QIJGYTAQTJCYIJ-VHSXEESVSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)CO1 ZINC000647192902 384747669 /nfs/dbraw/zinc/74/76/69/384747669.db2.gz BWGNAEQJOPGKAF-SCZZXKLOSA-N 0 1 238.356 2.288 20 0 BEADMN CC(C)CCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000052882410 384752631 /nfs/dbraw/zinc/75/26/31/384752631.db2.gz UCYPWMOGUKXJPU-HNNXBMFYSA-N 0 1 248.370 2.413 20 0 BEADMN CCCCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000062622144 384758358 /nfs/dbraw/zinc/75/83/58/384758358.db2.gz NVAFDSGLVODBMZ-CQSZACIVSA-N 0 1 246.354 2.350 20 0 BEADMN CCCCCNC(=O)[C@@H](N)c1ccccc1C ZINC000083361207 384765680 /nfs/dbraw/zinc/76/56/80/384765680.db2.gz JJDSXWYJTZLFJL-ZDUSSCGKSA-N 0 1 234.343 2.301 20 0 BEADMN Cc1ccc(CNCc2cc[nH]c2)nc1 ZINC000400822178 384771717 /nfs/dbraw/zinc/77/17/17/384771717.db2.gz GCAWXAARCSQHKH-UHFFFAOYSA-N 0 1 201.273 2.008 20 0 BEADMN C[C@H]1C[C@H](NCc2cccc(F)c2F)CO1 ZINC000335662533 384819202 /nfs/dbraw/zinc/81/92/02/384819202.db2.gz FZEJCVACJUALDY-WPRPVWTQSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000158933656 384822372 /nfs/dbraw/zinc/82/23/72/384822372.db2.gz VNBHMSCBKTZOPP-SECBINFHSA-N 0 1 243.310 2.433 20 0 BEADMN CCN(CC(=O)Nc1ccsc1)C1CC1 ZINC000126270684 384784765 /nfs/dbraw/zinc/78/47/65/384784765.db2.gz JDHAHBFDEZJTTQ-UHFFFAOYSA-N 0 1 224.329 2.171 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000048756045 384786640 /nfs/dbraw/zinc/78/66/40/384786640.db2.gz DUVYJUDVJRZSGU-GFCCVEGCSA-N 0 1 237.274 2.265 20 0 BEADMN Cc1cccc2[nH]c(CN[C@H]3CO[C@H](C)C3)nc21 ZINC000647197991 384845285 /nfs/dbraw/zinc/84/52/85/384845285.db2.gz YISYVMWURQOASL-GHMZBOCLSA-N 0 1 245.326 2.138 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C)C[C@H]1CC ZINC000561616788 384858635 /nfs/dbraw/zinc/85/86/35/384858635.db2.gz SOZAARIZPIWILH-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)c1ccc(CN2CCNC(=O)CC2)cc1 ZINC000054867710 384858988 /nfs/dbraw/zinc/85/89/88/384858988.db2.gz JJWUIWUSNVNSHH-UHFFFAOYSA-N 0 1 246.354 2.132 20 0 BEADMN CC1(C)CCCN(Cc2ncc[nH]2)CC1 ZINC000127061340 384859154 /nfs/dbraw/zinc/85/91/54/384859154.db2.gz JUGCMSLVGCKELV-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN O=C1OCC[C@@]12CCCN2CCc1ccccc1 ZINC000186635676 384862729 /nfs/dbraw/zinc/86/27/29/384862729.db2.gz AUEOXDKSLMEYGK-HNNXBMFYSA-N 0 1 245.322 2.011 20 0 BEADMN COC1(CCN[C@@H](C)c2csnn2)CCC1 ZINC000398250131 384865047 /nfs/dbraw/zinc/86/50/47/384865047.db2.gz VUHKGFKGLGNEFH-VIFPVBQESA-N 0 1 241.360 2.148 20 0 BEADMN CCc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)n[nH]1 ZINC000175119196 384867809 /nfs/dbraw/zinc/86/78/09/384867809.db2.gz HPLRLNDXKFXYLY-VHSXEESVSA-N 0 1 235.331 2.233 20 0 BEADMN CCC[C@@](C)(O)CN[C@H](C)c1cc(C)on1 ZINC000289617755 384892168 /nfs/dbraw/zinc/89/21/68/384892168.db2.gz GQHNKERARSAAMW-ZYHUDNBSSA-N 0 1 226.320 2.185 20 0 BEADMN CN(Cc1ncc[nH]1)CC1CC(C)(C)C1 ZINC000528433756 384894329 /nfs/dbraw/zinc/89/43/29/384894329.db2.gz QHOLKWTUOVBSLR-UHFFFAOYSA-N 0 1 207.321 2.278 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CCC1=CCCCC1 ZINC000049815021 384902445 /nfs/dbraw/zinc/90/24/45/384902445.db2.gz FOFLWAHNFPWNJN-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN C[C@H](C[N@@H+](C)CCc1ccccc1F)C(=O)[O-] ZINC000049829704 384903855 /nfs/dbraw/zinc/90/38/55/384903855.db2.gz MCYWRJSJIJWHQC-SNVBAGLBSA-N 0 1 239.290 2.021 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635765686 384906095 /nfs/dbraw/zinc/90/60/95/384906095.db2.gz SOQMPKJYCLLFQP-IRCOFANPSA-N 0 1 247.342 2.303 20 0 BEADMN Cc1cnc([C@@H](C)NCC[C@@H](C)F)o1 ZINC000308682094 384913471 /nfs/dbraw/zinc/91/34/71/384913471.db2.gz XXYZSJLNNGSVGW-VXNVDRBHSA-N 0 1 200.257 2.382 20 0 BEADMN Cc1csc(C(C)(C)NCc2cnc[nH]2)n1 ZINC000164098399 384913718 /nfs/dbraw/zinc/91/37/18/384913718.db2.gz RWXSEQKAYQMWFR-UHFFFAOYSA-N 0 1 236.344 2.200 20 0 BEADMN CCC[C@](C)(O)CN[C@@H](C)c1cscn1 ZINC000127851361 384914006 /nfs/dbraw/zinc/91/40/06/384914006.db2.gz WNQKQDAQJMNKKD-ONGXEEELSA-N 0 1 228.361 2.345 20 0 BEADMN C[C@H](N[C@H]1CC[C@@H](C)C1)c1csnn1 ZINC000307000773 384913832 /nfs/dbraw/zinc/91/38/32/384913832.db2.gz BTUCJGKQUFYJOJ-VGMNWLOBSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1csnn1 ZINC000307000769 384915920 /nfs/dbraw/zinc/91/59/20/384915920.db2.gz BTUCJGKQUFYJOJ-HRDYMLBCSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@H](O)C[C@H](C)CN[C@@H](C)c1cscn1 ZINC000127868330 384916096 /nfs/dbraw/zinc/91/60/96/384916096.db2.gz CCIDWKYICIATOI-GUBZILKMSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1csc(CNC[C@@H](O)CC(C)(C)C)n1 ZINC000164142732 384926003 /nfs/dbraw/zinc/92/60/03/384926003.db2.gz REOOASKFQKTGNV-JTQLQIEISA-N 0 1 242.388 2.338 20 0 BEADMN C[C@H]([N@@H+](C)CC(=O)NC1CCCC1)C1(C)CC1 ZINC000177245296 384929651 /nfs/dbraw/zinc/92/96/51/384929651.db2.gz BLGURXSBZFLPJQ-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000127677652 384930781 /nfs/dbraw/zinc/93/07/81/384930781.db2.gz YAUADQOCHARHNS-QMMMGPOBSA-N 0 1 247.260 2.307 20 0 BEADMN C[C@@H](O)CN1CCc2cccc(Cl)c2C1 ZINC000335587394 384932963 /nfs/dbraw/zinc/93/29/63/384932963.db2.gz UDIHWAQOGHUNGS-SECBINFHSA-N 0 1 225.719 2.079 20 0 BEADMN Cc1nnc(NC(=O)c2ccc(Cl)s2)[nH]1 ZINC000112702424 384933814 /nfs/dbraw/zinc/93/38/14/384933814.db2.gz WYSXPQJDDFDBCP-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccc(Cl)s2)n1 ZINC000112702424 384933821 /nfs/dbraw/zinc/93/38/21/384933821.db2.gz WYSXPQJDDFDBCP-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN O[C@H](CNCc1nccs1)CC1CCCC1 ZINC000644523230 384934041 /nfs/dbraw/zinc/93/40/41/384934041.db2.gz MZBQWQRPQXCHFQ-NSHDSACASA-N 0 1 240.372 2.174 20 0 BEADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)[C@H]1C ZINC000128100978 384934364 /nfs/dbraw/zinc/93/43/64/384934364.db2.gz DYYJRRUGYPSNPI-BDAKNGLRSA-N 0 1 237.274 2.402 20 0 BEADMN COC[C@@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000234893491 384939148 /nfs/dbraw/zinc/93/91/48/384939148.db2.gz SCFOYERKVHWLQW-CMPLNLGQSA-N 0 1 249.310 2.091 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635979664 384941022 /nfs/dbraw/zinc/94/10/22/384941022.db2.gz KJBIDUBJVUUMSE-VXGBXAGGSA-N 0 1 226.364 2.188 20 0 BEADMN CCN(CC(=O)OC(C)(C)C)CC1CCC1 ZINC000312958636 384942841 /nfs/dbraw/zinc/94/28/41/384942841.db2.gz YTGLSRPRVREMSM-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1cc(C)cc([C@H](C)NC(=O)CN(C)C)c1 ZINC000107354579 384965647 /nfs/dbraw/zinc/96/56/47/384965647.db2.gz KUSGWYIATPQPFG-LBPRGKRZSA-N 0 1 234.343 2.042 20 0 BEADMN CSC[C@@H](O)CN1Cc2ccc(C)cc2C1 ZINC000361595663 385021224 /nfs/dbraw/zinc/02/12/24/385021224.db2.gz WWHGPRFSPHPQQO-ZDUSSCGKSA-N 0 1 237.368 2.035 20 0 BEADMN CC1(C)CC[C@H](NCc2ncccn2)C1 ZINC000128969459 384972171 /nfs/dbraw/zinc/97/21/71/384972171.db2.gz RLIMXBFYJNHJCS-JTQLQIEISA-N 0 1 205.305 2.145 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000339581903 385021644 /nfs/dbraw/zinc/02/16/44/385021644.db2.gz FAQUJPBJZWXCED-NWDGAFQWSA-N 0 1 225.311 2.444 20 0 BEADMN CSC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000187748439 384979462 /nfs/dbraw/zinc/97/94/62/384979462.db2.gz LZMHKEQNIGECDR-YPMHNXCESA-N 0 1 239.384 2.403 20 0 BEADMN Cl/C=C/CN1CCC(c2cn[nH]c2)CC1 ZINC000364097719 384984161 /nfs/dbraw/zinc/98/41/61/384984161.db2.gz SRKUEXNRLBLDHP-DAFODLJHSA-N 0 1 225.723 2.342 20 0 BEADMN CC(C)CCCNc1ccncc1C(N)=O ZINC000302234233 384984949 /nfs/dbraw/zinc/98/49/49/384984949.db2.gz UARARYHRLDBERI-UHFFFAOYSA-N 0 1 221.304 2.029 20 0 BEADMN C[C@@H](NCc1ncoc1-c1ccccc1)[C@H](C)O ZINC000644586532 384985307 /nfs/dbraw/zinc/98/53/07/384985307.db2.gz IRWSDMRKHDGKSX-MNOVXSKESA-N 0 1 246.310 2.201 20 0 BEADMN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000187824432 384986234 /nfs/dbraw/zinc/98/62/34/384986234.db2.gz SEHHZOJCAMYVEL-WBMJQRKESA-N 0 1 239.384 2.194 20 0 BEADMN CC1(C)CCCN(C(=O)c2cnccc2N)CC1 ZINC000128060141 384987364 /nfs/dbraw/zinc/98/73/64/384987364.db2.gz HGHRYAQGECYIEK-UHFFFAOYSA-N 0 1 247.342 2.316 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1C=CCCC1 ZINC000187892137 384992622 /nfs/dbraw/zinc/99/26/22/384992622.db2.gz OBJNZDWZPFBHEV-LLVKDONJSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1nnc(CN[C@]2(C)CCCC[C@H]2C)o1 ZINC000308708085 385006373 /nfs/dbraw/zinc/00/63/73/385006373.db2.gz KNHHZRUGLWUHNC-BXKDBHETSA-N 0 1 223.320 2.436 20 0 BEADMN COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](O)C1 ZINC000255755116 385013402 /nfs/dbraw/zinc/01/34/02/385013402.db2.gz LHQPFCURFYWCEW-HJHHMULASA-N 0 1 247.338 2.165 20 0 BEADMN COc1ccccc1/C=C\CN1CCC[C@@H](O)C1 ZINC000255755116 385013409 /nfs/dbraw/zinc/01/34/09/385013409.db2.gz LHQPFCURFYWCEW-HJHHMULASA-N 0 1 247.338 2.165 20 0 BEADMN Cc1cc(CN[C@H](C)c2cn[nH]c2)sn1 ZINC000404481056 385017210 /nfs/dbraw/zinc/01/72/10/385017210.db2.gz FXBGHZDALKMNJV-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CSC[C@H](O)CN1Cc2ccc(C)cc2C1 ZINC000361595662 385020819 /nfs/dbraw/zinc/02/08/19/385020819.db2.gz WWHGPRFSPHPQQO-CYBMUJFWSA-N 0 1 237.368 2.035 20 0 BEADMN CC[C@H](O)CN[C@](C)(CC)c1nccs1 ZINC000130549102 385048397 /nfs/dbraw/zinc/04/83/97/385048397.db2.gz AAAJZZBRUJTNHR-GXSJLCMTSA-N 0 1 228.361 2.129 20 0 BEADMN c1nc(CN2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000176253457 385048601 /nfs/dbraw/zinc/04/86/01/385048601.db2.gz CSRPOZPXTLTVAC-AOOOYVTPSA-N 0 1 208.330 2.375 20 0 BEADMN C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000130674616 385050873 /nfs/dbraw/zinc/05/08/73/385050873.db2.gz ZDLGAMIWQPAFBS-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN C[C@@H](O)CN(C)Cc1cc(Cl)ccc1F ZINC000130674616 385050880 /nfs/dbraw/zinc/05/08/80/385050880.db2.gz ZDLGAMIWQPAFBS-MRVPVSSYSA-N 0 1 231.698 2.292 20 0 BEADMN COC(=O)C[C@@H]1CC[C@@H](NCC(C)(F)F)[C@@H]1C ZINC000559322225 385052736 /nfs/dbraw/zinc/05/27/36/385052736.db2.gz HHJPVHZHXWIFTP-KXUCPTDWSA-N 0 1 249.301 2.209 20 0 BEADMN C[C@@H]1CCN(CC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000557635517 385062616 /nfs/dbraw/zinc/06/26/16/385062616.db2.gz LCDKCGTYWXRNJZ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCNC[C@@H]1CCC ZINC000359216855 385066377 /nfs/dbraw/zinc/06/63/77/385066377.db2.gz GGLHDVFBYFXLLO-OLZOCXBDSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)N(C)C ZINC000128721700 385067888 /nfs/dbraw/zinc/06/78/88/385067888.db2.gz BWWQZOWDQWQHDM-CQSZACIVSA-N 0 1 248.370 2.028 20 0 BEADMN CCCCOCCCNCc1cscn1 ZINC000131140297 385069899 /nfs/dbraw/zinc/06/98/99/385069899.db2.gz ITCMKWCQWNLHIG-UHFFFAOYSA-N 0 1 228.361 2.440 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2COCC2(C)C)o1 ZINC000312997644 385079969 /nfs/dbraw/zinc/07/99/69/385079969.db2.gz LPCYMJGTSINYKB-LLVKDONJSA-N 0 1 238.331 2.060 20 0 BEADMN C[C@@H](CC[S@@](C)=O)NCc1ccc(Cl)o1 ZINC000131318156 385081232 /nfs/dbraw/zinc/08/12/32/385081232.db2.gz YUKUETNCKZUYRD-AYVTZFPOSA-N 0 1 249.763 2.180 20 0 BEADMN CC(C)Cn1nccc1CNC1CC(F)(F)C1 ZINC000647206548 385030577 /nfs/dbraw/zinc/03/05/77/385030577.db2.gz XBDFZQZJLIISRU-UHFFFAOYSA-N 0 1 243.301 2.426 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C)o1 ZINC000058875200 385030940 /nfs/dbraw/zinc/03/09/40/385030940.db2.gz QBDNQDQYQPESJS-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN COC(=O)c1ccc(CN2CCCC[C@H]2C)o1 ZINC000058875200 385030949 /nfs/dbraw/zinc/03/09/49/385030949.db2.gz QBDNQDQYQPESJS-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN C[C@H](CC[S@](C)=O)NCc1ccc(Cl)o1 ZINC000131317919 385083271 /nfs/dbraw/zinc/08/32/71/385083271.db2.gz YUKUETNCKZUYRD-ANRSDYALSA-N 0 1 249.763 2.180 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCCC[C@H]2C)n[nH]1 ZINC000644639180 385042627 /nfs/dbraw/zinc/04/26/27/385042627.db2.gz RSYDRLPEESKNPF-SKDRFNHKSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1c(CN2CCS[C@H](C)[C@@H]2C)cnn1C ZINC000269015730 385114828 /nfs/dbraw/zinc/11/48/28/385114828.db2.gz OAPMBEMHBMRBHH-GXSJLCMTSA-N 0 1 239.388 2.054 20 0 BEADMN Cc1cnc([C@@H](C)NCc2[nH]ncc2C)s1 ZINC000289669873 385141792 /nfs/dbraw/zinc/14/17/92/385141792.db2.gz ZMTGIQXFJZUVPW-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)co1 ZINC000189098665 385123987 /nfs/dbraw/zinc/12/39/87/385123987.db2.gz NUFJRWIXGPECCJ-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)co1 ZINC000189098665 385123989 /nfs/dbraw/zinc/12/39/89/385123989.db2.gz NUFJRWIXGPECCJ-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN C(CN1CCO[C@H]2C[C@H]21)C1CCCCC1 ZINC000644716245 385134174 /nfs/dbraw/zinc/13/41/74/385134174.db2.gz KFPPXBGPEQFGIL-OLZOCXBDSA-N 0 1 209.333 2.430 20 0 BEADMN Cc1ncc(CN2CCC(C3CC3)CC2)cn1 ZINC000644719843 385139556 /nfs/dbraw/zinc/13/95/56/385139556.db2.gz BYLFGHMHRRGSPH-UHFFFAOYSA-N 0 1 231.343 2.407 20 0 BEADMN CC[C@H](N[C@H]1CCOC1)c1nc(C)cs1 ZINC000088715650 385139996 /nfs/dbraw/zinc/13/99/96/385139996.db2.gz LQRVHWPHYFSFOW-UWVGGRQHSA-N 0 1 226.345 2.281 20 0 BEADMN CCc1ccccc1CN1CCCC[C@H]1C(N)=O ZINC000188819008 385094871 /nfs/dbraw/zinc/09/48/71/385094871.db2.gz XWVYEJFVUCNAIK-AWEZNQCLSA-N 0 1 246.354 2.089 20 0 BEADMN C(N[C@H]1CC12CC2)c1nc2c(s1)CCC2 ZINC000643800281 385104983 /nfs/dbraw/zinc/10/49/83/385104983.db2.gz MRDJREZJLQQMDR-JTQLQIEISA-N 0 1 220.341 2.274 20 0 BEADMN CCc1ccc(CN(C)CC2(CO)CC2)o1 ZINC000188957436 385107156 /nfs/dbraw/zinc/10/71/56/385107156.db2.gz PYMWQWNCOJTMJR-UHFFFAOYSA-N 0 1 223.316 2.046 20 0 BEADMN C[C@H](N[C@@H]1CCCSC1)c1ccon1 ZINC000306760226 385187227 /nfs/dbraw/zinc/18/72/27/385187227.db2.gz QVLBPZGONUGNNQ-DTWKUNHWSA-N 0 1 212.318 2.221 20 0 BEADMN Cc1ccc(CNC[C@@H](O)c2ccsc2)o1 ZINC000152535004 385192555 /nfs/dbraw/zinc/19/25/55/385192555.db2.gz WPQPXQRBONOWSZ-GFCCVEGCSA-N 0 1 237.324 2.473 20 0 BEADMN C[C@H](NC1CCSCC1)c1ccon1 ZINC000306794103 385194918 /nfs/dbraw/zinc/19/49/18/385194918.db2.gz HNAANVWKENQNIF-QMMMGPOBSA-N 0 1 212.318 2.221 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)Cc1cncn1C ZINC000177176279 385196116 /nfs/dbraw/zinc/19/61/16/385196116.db2.gz PLVPMYYENWNXBF-NSHDSACASA-N 0 1 241.404 2.384 20 0 BEADMN C[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000308828140 385197324 /nfs/dbraw/zinc/19/73/24/385197324.db2.gz RZVUEJVBUJOXAP-HTQZYQBOSA-N 0 1 225.254 2.030 20 0 BEADMN Cc1ccncc1CN[C@@H]1CCC[C@@H]1F ZINC000336322940 385198536 /nfs/dbraw/zinc/19/85/36/385198536.db2.gz XVQADPNQBQKIIM-NWDGAFQWSA-N 0 1 208.280 2.370 20 0 BEADMN COC[C@@H]1CN(Cc2cccc(C)c2)C[C@@H](C)O1 ZINC000189387015 385151718 /nfs/dbraw/zinc/15/17/18/385151718.db2.gz CJUPOAFVEJPOJB-HIFRSBDPSA-N 0 1 249.354 2.231 20 0 BEADMN CC[C@@H](N[C@H]1CC12CC2)c1nccn1C ZINC000424324320 385166966 /nfs/dbraw/zinc/16/69/66/385166966.db2.gz MSWXKEDENZMCMF-ZJUUUORDSA-N 0 1 205.305 2.013 20 0 BEADMN CC[N@@H+](C[C@@H](O)C(F)(F)F)CC(C)(C)C ZINC000308849750 385210096 /nfs/dbraw/zinc/21/00/96/385210096.db2.gz MKJONAFFMHONOU-MRVPVSSYSA-N 0 1 227.270 2.278 20 0 BEADMN CC(C)=CCNCc1ccn(C(F)F)n1 ZINC000308849541 385210667 /nfs/dbraw/zinc/21/06/67/385210667.db2.gz NRUJAZXTULWKPP-UHFFFAOYSA-N 0 1 215.247 2.334 20 0 BEADMN CSCCN1CCN(c2cccs2)CC1 ZINC000177268562 385213651 /nfs/dbraw/zinc/21/36/51/385213651.db2.gz KVAGQXXNZVFOFK-UHFFFAOYSA-N 0 1 242.413 2.233 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)NCc1cc(C)[nH]n1 ZINC000648329790 385215796 /nfs/dbraw/zinc/21/57/96/385215796.db2.gz ZAWKERJDIXZDBM-CMPLNLGQSA-N 0 1 235.331 2.161 20 0 BEADMN CCC[C@H](C)c1cc(NS(=O)(=O)CC)n[nH]1 ZINC000152845896 385216635 /nfs/dbraw/zinc/21/66/35/385216635.db2.gz TZVBZUNVKTYNQM-QMMMGPOBSA-N 0 1 245.348 2.075 20 0 BEADMN Cn1cc(CNC2(c3cccc(F)c3)CC2)cn1 ZINC000152871634 385219647 /nfs/dbraw/zinc/21/96/47/385219647.db2.gz LBRALCBIXZJPHK-UHFFFAOYSA-N 0 1 245.301 2.338 20 0 BEADMN CN(C/C=C/Cl)CCc1ccccn1 ZINC000152945347 385225097 /nfs/dbraw/zinc/22/50/97/385225097.db2.gz VXTDADNLISJGBG-QPJJXVBHSA-N 0 1 210.708 2.308 20 0 BEADMN CCc1nnc(CN(C)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000157642643 385237794 /nfs/dbraw/zinc/23/77/94/385237794.db2.gz WRPQPVVGVNRHQX-WDEREUQCSA-N 0 1 236.363 2.378 20 0 BEADMN CCc1nnc(CN(C)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000157642792 385239191 /nfs/dbraw/zinc/23/91/91/385239191.db2.gz WRPQPVVGVNRHQX-QWRGUYRKSA-N 0 1 236.363 2.378 20 0 BEADMN Cc1cccc(NC[C@H]2CCC[C@@H](O)C2)n1 ZINC000157695110 385244539 /nfs/dbraw/zinc/24/45/39/385244539.db2.gz BBCMUMPMOOCRIO-NWDGAFQWSA-N 0 1 220.316 2.353 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](C2CC2)C1 ZINC000344032085 385250421 /nfs/dbraw/zinc/25/04/21/385250421.db2.gz OIAFAHLACODTHR-CMPLNLGQSA-N 0 1 239.359 2.449 20 0 BEADMN c1snnc1CN[C@H]1CC2CCC1CC2 ZINC000308897570 385250503 /nfs/dbraw/zinc/25/05/03/385250503.db2.gz ATNQLXBAFHWXCC-AMUVOQDHSA-N 0 1 223.345 2.206 20 0 BEADMN Cc1cccc(NC[C@H]2CCC[C@H](O)C2)n1 ZINC000157694795 385251269 /nfs/dbraw/zinc/25/12/69/385251269.db2.gz BBCMUMPMOOCRIO-RYUDHWBXSA-N 0 1 220.316 2.353 20 0 BEADMN C[C@H](N[C@H]1CC12CC2)c1cc2n(n1)CCCC2 ZINC000647309726 385253011 /nfs/dbraw/zinc/25/30/11/385253011.db2.gz NHMJMRKFGOPNAZ-GWCFXTLKSA-N 0 1 231.343 2.423 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000191404204 385303025 /nfs/dbraw/zinc/30/30/25/385303025.db2.gz STNSZVRQDILJNL-KGLIPLIRSA-N 0 1 247.338 2.414 20 0 BEADMN CC[N@@H+](CC(=O)Nc1cscc1C)C1CC1 ZINC000154181502 385307112 /nfs/dbraw/zinc/30/71/12/385307112.db2.gz BNRHQOJOYYBDQP-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN CCN(CC(=O)Nc1cscc1C)C1CC1 ZINC000154181502 385307119 /nfs/dbraw/zinc/30/71/19/385307119.db2.gz BNRHQOJOYYBDQP-UHFFFAOYSA-N 0 1 238.356 2.479 20 0 BEADMN Cc1nc(CN[C@H]2COCC2(C)C)sc1C ZINC000313063156 385315653 /nfs/dbraw/zinc/31/56/53/385315653.db2.gz KHEVTYOFXAEKDF-JTQLQIEISA-N 0 1 240.372 2.275 20 0 BEADMN CCCCOCCN1CCOC2(CCCC2)C1 ZINC000157948051 385315819 /nfs/dbraw/zinc/31/58/19/385315819.db2.gz OIKLSZVCTFIAJV-UHFFFAOYSA-N 0 1 241.375 2.448 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177547589 385258606 /nfs/dbraw/zinc/25/86/06/385258606.db2.gz JWOCLZPVXBLKOT-OBJOEFQTSA-N 0 1 247.338 2.426 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177547560 385259403 /nfs/dbraw/zinc/25/94/03/385259403.db2.gz JWOCLZPVXBLKOT-SGMGOOAPSA-N 0 1 247.338 2.426 20 0 BEADMN Cc1nc(CSc2ccc(Cl)cn2)n[nH]1 ZINC000335801616 385260543 /nfs/dbraw/zinc/26/05/43/385260543.db2.gz NKRARYQAISGJTM-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177547573 385260990 /nfs/dbraw/zinc/26/09/90/385260990.db2.gz JWOCLZPVXBLKOT-DYEKYZERSA-N 0 1 247.338 2.426 20 0 BEADMN CC[C@@]1(C)CCN(CC(=O)OC(C)(C)C)C1 ZINC000344285295 385266550 /nfs/dbraw/zinc/26/65/50/385266550.db2.gz YRCWRZZTXJCRBW-ZDUSSCGKSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)N1CC[C@@H](N(C)Cc2ccccc2)C1=O ZINC000177632528 385268937 /nfs/dbraw/zinc/26/89/37/385268937.db2.gz MUFFNKRHEJZDPM-CQSZACIVSA-N 0 1 246.354 2.128 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@H]1CCCCN1C ZINC000643967028 385322717 /nfs/dbraw/zinc/32/27/17/385322717.db2.gz PZDCKNVIBHKHLO-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H](N[C@H]1CSC1(C)C)c1cnccn1 ZINC000308928832 385288823 /nfs/dbraw/zinc/28/88/23/385288823.db2.gz DUTVGUBUOBNAOJ-SCZZXKLOSA-N 0 1 223.345 2.021 20 0 BEADMN COC[C@H](NCC[C@H](C)F)c1ccco1 ZINC000308939916 385296208 /nfs/dbraw/zinc/29/62/08/385296208.db2.gz LWKKXCNVQSIEOO-UWVGGRQHSA-N 0 1 215.268 2.305 20 0 BEADMN CCc1nnc(CN(CC)[C@@H](C)C(C)C)o1 ZINC000065298543 385299126 /nfs/dbraw/zinc/29/91/26/385299126.db2.gz DXPQRFKFYOMKBP-JTQLQIEISA-N 0 1 225.336 2.498 20 0 BEADMN c1nc(CNC[C@@H]2CCOc3ccccc32)co1 ZINC000178923437 385347513 /nfs/dbraw/zinc/34/75/13/385347513.db2.gz BGMJNWSGKMJUOV-NSHDSACASA-N 0 1 244.294 2.331 20 0 BEADMN CC(C)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1 ZINC000178282625 385350136 /nfs/dbraw/zinc/35/01/36/385350136.db2.gz DPAUBZACXVACFT-CQSZACIVSA-N 0 1 246.354 2.130 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000168343701 385359678 /nfs/dbraw/zinc/35/96/78/385359678.db2.gz HQCWALDYTVAXSE-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H](C)CC(C)C)n1 ZINC000309011707 385359723 /nfs/dbraw/zinc/35/97/23/385359723.db2.gz SAUSFZGZCBHTAT-DTWKUNHWSA-N 0 1 211.309 2.463 20 0 BEADMN C[C@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000192819981 385372977 /nfs/dbraw/zinc/37/29/77/385372977.db2.gz KTJBKOUMBQHRAY-VIFPVBQESA-N 0 1 225.719 2.079 20 0 BEADMN CN(CCn1ccnc1)Cc1ccccc1F ZINC000178473233 385378679 /nfs/dbraw/zinc/37/86/79/385378679.db2.gz BFOMHRWEETXJIZ-UHFFFAOYSA-N 0 1 233.290 2.154 20 0 BEADMN C[C@@H](N[C@@H](CO)CC1CCC1)c1nccs1 ZINC000280863052 385382210 /nfs/dbraw/zinc/38/22/10/385382210.db2.gz CHXBPKBFGWHQNC-MWLCHTKSSA-N 0 1 240.372 2.345 20 0 BEADMN FCCN[C@H]1CCCOc2ccccc21 ZINC000281010069 385385570 /nfs/dbraw/zinc/38/55/70/385385570.db2.gz LINNHYAISZFIOV-NSHDSACASA-N 0 1 209.264 2.459 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408011148 385394695 /nfs/dbraw/zinc/39/46/95/385394695.db2.gz SPVSDCUSOHFOBS-SNVBAGLBSA-N 0 1 239.319 2.001 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000165513002 385394985 /nfs/dbraw/zinc/39/49/85/385394985.db2.gz ZINIQZVUJRZCDX-GFCCVEGCSA-N 0 1 213.321 2.219 20 0 BEADMN CCOC(=O)CN(C[C@@H]1C[C@H]1CC)C1CCC1 ZINC001645220787 1172645262 /nfs/dbraw/zinc/64/52/62/1172645262.db2.gz SEZBUYLSDXOVCX-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN C=Cn1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cn1 ZINC000194067969 385422371 /nfs/dbraw/zinc/42/23/71/385422371.db2.gz PFLLEEYMTSMHHO-CQSZACIVSA-N 0 1 249.358 2.231 20 0 BEADMN C=Cn1cc(CN2CC[C@@H](OCC(C)C)C2)cn1 ZINC000194067969 385422373 /nfs/dbraw/zinc/42/23/73/385422373.db2.gz PFLLEEYMTSMHHO-CQSZACIVSA-N 0 1 249.358 2.231 20 0 BEADMN COc1ccc(CN2C[C@H]3CCCC[C@H]32)nc1 ZINC000368691626 385440734 /nfs/dbraw/zinc/44/07/34/385440734.db2.gz HEHZSBOPCCKMSH-BXUZGUMPSA-N 0 1 232.327 2.465 20 0 BEADMN CC1(C)C[C@@H]1NCc1ccn(C(F)F)n1 ZINC000309161425 385443230 /nfs/dbraw/zinc/44/32/30/385443230.db2.gz ZENXRWBUZZGYOJ-QMMMGPOBSA-N 0 1 215.247 2.166 20 0 BEADMN Cc1ccc(CNC2CC(F)(F)C2)nc1 ZINC000309164158 385444577 /nfs/dbraw/zinc/44/45/77/385444577.db2.gz IFWZKEOHBQZVOS-UHFFFAOYSA-N 0 1 212.243 2.277 20 0 BEADMN CN(Cc1nccc(N)n1)CC1CCCCC1 ZINC000179184918 385448694 /nfs/dbraw/zinc/44/86/94/385448694.db2.gz KSIMBQZWPNECLW-UHFFFAOYSA-N 0 1 234.347 2.071 20 0 BEADMN C[C@H]1CN(Cc2cccc(F)c2N)CCCO1 ZINC000156378461 385449417 /nfs/dbraw/zinc/44/94/17/385449417.db2.gz VNRCXOMYJFNDCJ-JTQLQIEISA-N 0 1 238.306 2.019 20 0 BEADMN COc1nccc(CNCC2=CCCCC2)n1 ZINC000295135199 385456187 /nfs/dbraw/zinc/45/61/87/385456187.db2.gz PCYYQCBDVUVXMH-UHFFFAOYSA-N 0 1 233.315 2.075 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CCCCCF ZINC000309151833 385436254 /nfs/dbraw/zinc/43/62/54/385436254.db2.gz SFYAWQKORJQMJD-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN COC(=O)[C@H]1CCCCN1CCCCCF ZINC000309151831 385436490 /nfs/dbraw/zinc/43/64/90/385436490.db2.gz SFYAWQKORJQMJD-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN CO[C@@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000182338679 385437015 /nfs/dbraw/zinc/43/70/15/385437015.db2.gz OEWRHDVHBNMTCN-VIFPVBQESA-N 0 1 228.361 2.311 20 0 BEADMN Cc1conc1-c1nc([C@H](N)CC(C)C)no1 ZINC000257598360 385467121 /nfs/dbraw/zinc/46/71/21/385467121.db2.gz DUVNBUYILQECJG-MRVPVSSYSA-N 0 1 236.275 2.079 20 0 BEADMN C[C@@H]1c2cccn2CCN1CCCCCO ZINC000171143519 385470259 /nfs/dbraw/zinc/47/02/59/385470259.db2.gz PMFKMGXLVAIPJH-GFCCVEGCSA-N 0 1 222.332 2.027 20 0 BEADMN CC(C)(F)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000156823919 385471290 /nfs/dbraw/zinc/47/12/90/385471290.db2.gz SSZDYBDNAXVICF-UHFFFAOYSA-N 0 1 248.261 2.158 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccc(F)c1 ZINC000179591275 385476325 /nfs/dbraw/zinc/47/63/25/385476325.db2.gz DKUFKCVUIOCGCX-UHFFFAOYSA-N 0 1 219.263 2.181 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927888 385488857 /nfs/dbraw/zinc/48/88/57/385488857.db2.gz SGWYIFWZTMRTSM-VHSXEESVSA-N 0 1 223.320 2.050 20 0 BEADMN Cc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000179602138 385477247 /nfs/dbraw/zinc/47/72/47/385477247.db2.gz NPXCZKTUTBDKOV-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000179350268 385461425 /nfs/dbraw/zinc/46/14/25/385461425.db2.gz LXBPPFCMNJURLU-CYBMUJFWSA-N 0 1 227.311 2.399 20 0 BEADMN c1nc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c[nH]1 ZINC000179350268 385461430 /nfs/dbraw/zinc/46/14/30/385461430.db2.gz LXBPPFCMNJURLU-CYBMUJFWSA-N 0 1 227.311 2.399 20 0 BEADMN Cc1cn[nH]c1CNc1ccc(C)nc1 ZINC000289441600 385493770 /nfs/dbraw/zinc/49/37/70/385493770.db2.gz FZTWUUGWKJARIP-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCCCO2)s1 ZINC000295211908 385493981 /nfs/dbraw/zinc/49/39/81/385493981.db2.gz AODYONIMBXBKDD-JTQLQIEISA-N 0 1 226.345 2.110 20 0 BEADMN CO[C@@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000183951914 385503118 /nfs/dbraw/zinc/50/31/18/385503118.db2.gz RWZRQSZCQRQVOD-QMMMGPOBSA-N 0 1 228.361 2.311 20 0 BEADMN CSC[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000282149636 385509198 /nfs/dbraw/zinc/50/91/98/385509198.db2.gz LAFALMNSYWFTPC-SCZZXKLOSA-N 0 1 227.377 2.131 20 0 BEADMN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccco1 ZINC000171734421 385514554 /nfs/dbraw/zinc/51/45/54/385514554.db2.gz VCFQZITZNMPHDT-JTQLQIEISA-N 0 1 239.315 2.490 20 0 BEADMN CCc1cc(C(=O)N(CC(C)C)C2CC2)n[nH]1 ZINC000171763076 385515805 /nfs/dbraw/zinc/51/58/05/385515805.db2.gz RRQNSEGYGSVDBU-UHFFFAOYSA-N 0 1 235.331 2.233 20 0 BEADMN COC[C@H](C)[N@H+]1CCc2cccc(F)c2C1 ZINC000157883720 385533130 /nfs/dbraw/zinc/53/31/30/385533130.db2.gz SZOVQCWBEVVUSB-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN COC[C@H](C)N1CCc2cccc(F)c2C1 ZINC000157883720 385533131 /nfs/dbraw/zinc/53/31/31/385533131.db2.gz SZOVQCWBEVVUSB-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000171973987 385537255 /nfs/dbraw/zinc/53/72/55/385537255.db2.gz AZQSFGJRGMGBBV-QMMMGPOBSA-N 0 1 248.286 2.295 20 0 BEADMN Cc1c([C@@H](C)NC/C=C/Cl)cnn1C ZINC000183447839 385546169 /nfs/dbraw/zinc/54/61/69/385546169.db2.gz OOBBXUGFKJLWBZ-WTSVBCDHSA-N 0 1 213.712 2.132 20 0 BEADMN C[C@H](CCNCc1cnn(C)n1)c1ccccc1 ZINC000289847354 385548096 /nfs/dbraw/zinc/54/80/96/385548096.db2.gz PUXSDIUEZLODQN-GFCCVEGCSA-N 0 1 244.342 2.099 20 0 BEADMN CC(C)CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000334217015 385519550 /nfs/dbraw/zinc/51/95/50/385519550.db2.gz GRXJSWHYDYJEFK-UHFFFAOYSA-N 0 1 235.331 2.162 20 0 BEADMN CN(Cc1ccccc1Cl)C(=O)c1cnc[nH]1 ZINC000334225840 385522043 /nfs/dbraw/zinc/52/20/43/385522043.db2.gz DTTXCUSJHYFCIQ-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH+](C(C)C)C(C)C)n1 ZINC000180452156 385523171 /nfs/dbraw/zinc/52/31/71/385523171.db2.gz YMTFXCNZWVECAW-UHFFFAOYSA-N 0 1 237.347 2.363 20 0 BEADMN CC(C)C[C@H](C)CN[C@@H](C)c1ncn(C)n1 ZINC000309353270 385549937 /nfs/dbraw/zinc/54/99/37/385549937.db2.gz NIIMPYNMZJTLHZ-QWRGUYRKSA-N 0 1 224.352 2.148 20 0 BEADMN Cc1cccc(-c2n[nH]cc2CNCCF)c1 ZINC000280811108 385606300 /nfs/dbraw/zinc/60/63/00/385606300.db2.gz UHMPPWOXBLRGJQ-UHFFFAOYSA-N 0 1 233.290 2.444 20 0 BEADMN CC(C)[N@@H+](CCCc1ccccc1)CC(=O)[O-] ZINC000037994849 385597718 /nfs/dbraw/zinc/59/77/18/385597718.db2.gz SFUSWFYNRBIFNP-UHFFFAOYSA-N 0 1 235.327 2.414 20 0 BEADMN C[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)C1CC1 ZINC000269494761 385599286 /nfs/dbraw/zinc/59/92/86/385599286.db2.gz DKLWJUFNBFQMDV-YFKPBYRVSA-N 0 1 247.220 2.413 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@H](C)[C@H]1C ZINC000334668497 385602816 /nfs/dbraw/zinc/60/28/16/385602816.db2.gz AHFFSLHAMFLZOV-WDEREUQCSA-N 0 1 222.336 2.089 20 0 BEADMN FC(F)O[C@H]1CCC[C@H]1NCc1cscn1 ZINC000337305401 385591831 /nfs/dbraw/zinc/59/18/31/385591831.db2.gz RGPXJTUCDSPTJY-BDAKNGLRSA-N 0 1 248.298 2.393 20 0 BEADMN CC(C)n1nccc1CNCc1ccn(C)c1 ZINC000280893164 385614425 /nfs/dbraw/zinc/61/44/25/385614425.db2.gz NXTVXMZSFHQCLO-UHFFFAOYSA-N 0 1 232.331 2.092 20 0 BEADMN Cc1nsc(Nc2cn(C)nc2C(C)C)n1 ZINC000280919333 385616623 /nfs/dbraw/zinc/61/66/23/385616623.db2.gz IECZFTFCOAJVNM-UHFFFAOYSA-N 0 1 237.332 2.447 20 0 BEADMN CO[C@@H](C)C[N@@H+](C)CCOc1ccccc1C ZINC000181999507 385626653 /nfs/dbraw/zinc/62/66/53/385626653.db2.gz UOYANPPVGWZVDW-ZDUSSCGKSA-N 0 1 237.343 2.341 20 0 BEADMN CC(C)(C)c1n[nH]c(SC[C@@H]2CCCO2)n1 ZINC000337376648 385629218 /nfs/dbraw/zinc/62/92/18/385629218.db2.gz VWARJPWXNQSKAS-QMMMGPOBSA-N 0 1 241.360 2.373 20 0 BEADMN CC(C)(C)c1nc(SC[C@@H]2CCCO2)n[nH]1 ZINC000337376648 385629225 /nfs/dbraw/zinc/62/92/25/385629225.db2.gz VWARJPWXNQSKAS-QMMMGPOBSA-N 0 1 241.360 2.373 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2F)no1 ZINC000054444551 385629443 /nfs/dbraw/zinc/62/94/43/385629443.db2.gz XWJAQTADUBDDRS-ZETCQYMHSA-N 0 1 221.235 2.156 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2(C3CC3)CCC2)c1C ZINC000269784957 385636970 /nfs/dbraw/zinc/63/69/70/385636970.db2.gz CBWNJNABJSVJKF-UHFFFAOYSA-N 0 1 247.342 2.337 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000161264882 385633546 /nfs/dbraw/zinc/63/35/46/385633546.db2.gz OJMUKWAKDIAIGH-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN Cc1cccc(CCN2C[C@@H](C)OC(C)(C)C2)n1 ZINC000335428760 385612102 /nfs/dbraw/zinc/61/21/02/385612102.db2.gz GGCPLMADSGPGFI-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2cscn2)C1(C)C ZINC000309501425 385638278 /nfs/dbraw/zinc/63/82/78/385638278.db2.gz ZUXUEXLDZHYSLN-DVVUODLYSA-N 0 1 240.372 2.292 20 0 BEADMN FC(F)O[C@H]1CCCC[C@H]1NCc1ccon1 ZINC000337415757 385644368 /nfs/dbraw/zinc/64/43/68/385644368.db2.gz PDVFUFQQUIURAX-ZJUUUORDSA-N 0 1 246.257 2.315 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000290167939 385651647 /nfs/dbraw/zinc/65/16/47/385651647.db2.gz MKRQIXHKKFLZCZ-BBBLOLIVSA-N 0 1 212.293 2.057 20 0 BEADMN CC[C@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000643196899 385657046 /nfs/dbraw/zinc/65/70/46/385657046.db2.gz XCNGKROLYMNIDG-VIFPVBQESA-N 0 1 232.283 2.123 20 0 BEADMN CO[C@@H](C)CN1CCc2ccc(F)cc2C1 ZINC000182351935 385659971 /nfs/dbraw/zinc/65/99/71/385659971.db2.gz OTPBRSFKSJRBKV-JTQLQIEISA-N 0 1 223.291 2.219 20 0 BEADMN Cc1n[nH]c(C(=O)NCCC2=CCCC2)c1C ZINC000270037300 385660887 /nfs/dbraw/zinc/66/08/87/385660887.db2.gz YUESHJKXBMFVLS-UHFFFAOYSA-N 0 1 233.315 2.257 20 0 BEADMN CCOc1ccc(CN2C[C@@H](C)[C@@H]2C)nc1 ZINC000645216040 385676695 /nfs/dbraw/zinc/67/66/95/385676695.db2.gz AVECFEAESZDWDZ-MNOVXSKESA-N 0 1 220.316 2.321 20 0 BEADMN CC[C@@H](NCc1csc(C)n1)[C@@H](O)C(C)C ZINC000414527636 385678757 /nfs/dbraw/zinc/67/87/57/385678757.db2.gz NCENCBCWETXPLE-NEPJUHHUSA-N 0 1 242.388 2.337 20 0 BEADMN CCSCCN[C@@H](COC)c1ccco1 ZINC000184595926 385680116 /nfs/dbraw/zinc/68/01/16/385680116.db2.gz WSEVEMIFVYTDGM-JTQLQIEISA-N 0 1 229.345 2.310 20 0 BEADMN Clc1cnc(CSc2c[nH]nn2)s1 ZINC000307359782 385681619 /nfs/dbraw/zinc/68/16/19/385681619.db2.gz DNGFFDUSSATAKS-UHFFFAOYSA-N 0 1 232.721 2.207 20 0 BEADMN C[C@H](NCc1ccc(F)cc1)c1cn[nH]c1 ZINC000229882279 385684020 /nfs/dbraw/zinc/68/40/20/385684020.db2.gz IMNRHKBKGBGXMK-VIFPVBQESA-N 0 1 219.263 2.400 20 0 BEADMN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000309555409 385687813 /nfs/dbraw/zinc/68/78/13/385687813.db2.gz JNMXVWNBPIYAKF-VWYCJHECSA-N 0 1 222.336 2.044 20 0 BEADMN CCC[C@H](C)[C@H](CC)NCC(F)(F)CO ZINC000184696931 385693619 /nfs/dbraw/zinc/69/36/19/385693619.db2.gz PRIDEFWKBRFYNN-UWVGGRQHSA-N 0 1 223.307 2.418 20 0 BEADMN C[C@H]1CC(C)(C)CC[C@@H]1NCC(F)(F)CO ZINC000184702757 385696706 /nfs/dbraw/zinc/69/67/06/385696706.db2.gz LUPKSPNEXUUIKQ-UWVGGRQHSA-N 0 1 235.318 2.418 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)cn2)[C@H](C)C1 ZINC000281729740 385696835 /nfs/dbraw/zinc/69/68/35/385696835.db2.gz PSNJWNJRBBOECC-ZWNOBZJWSA-N 0 1 238.306 2.220 20 0 BEADMN C[C@@H](NCc1ncnn1C(C)(C)C)C1(C)CC1 ZINC000337541783 385704026 /nfs/dbraw/zinc/70/40/26/385704026.db2.gz JDDBIRWJSOQQBX-SNVBAGLBSA-N 0 1 236.363 2.311 20 0 BEADMN FC(F)(F)C1(CNCc2cc[nH]n2)CCC1 ZINC000336687054 385705927 /nfs/dbraw/zinc/70/59/27/385705927.db2.gz ULCVJMGXVLWICX-UHFFFAOYSA-N 0 1 233.237 2.232 20 0 BEADMN C[C@H](NCC[C@H]1CCCCO1)c1ccon1 ZINC000336735595 385709512 /nfs/dbraw/zinc/70/95/12/385709512.db2.gz ICMMEYDYNFDNGM-WDEREUQCSA-N 0 1 224.304 2.284 20 0 BEADMN Cc1c[nH]nc1CNc1cc2c(cn1)CCC2 ZINC000645212680 385671040 /nfs/dbraw/zinc/67/10/40/385671040.db2.gz DJMWQLMXBNTIAN-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2n[nH]cc2c1 ZINC000340043165 385729233 /nfs/dbraw/zinc/72/92/33/385729233.db2.gz LHTSROHDBZPWEV-UHFFFAOYSA-N 0 1 227.271 2.207 20 0 BEADMN CN(C)C1CN(c2nc3ccccc3s2)C1 ZINC000270713259 385732820 /nfs/dbraw/zinc/73/28/20/385732820.db2.gz DGOHUNYEHDPPCK-UHFFFAOYSA-N 0 1 233.340 2.047 20 0 BEADMN CC(C)c1nc([C@@H](C)N[C@@H](C)CO)cs1 ZINC000186363400 385757054 /nfs/dbraw/zinc/75/70/54/385757054.db2.gz BHQOUIRFQGPKSI-DTWKUNHWSA-N 0 1 228.361 2.298 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000062134410 385761910 /nfs/dbraw/zinc/76/19/10/385761910.db2.gz CZNOPDGCSGIBSR-ZETCQYMHSA-N 0 1 245.731 2.308 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000271006416 385770724 /nfs/dbraw/zinc/77/07/24/385770724.db2.gz NKUIVHGSZFXYFH-WZRBSPASSA-N 0 1 235.327 2.360 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOC3)ccc1F ZINC000294018756 385787659 /nfs/dbraw/zinc/78/76/59/385787659.db2.gz NLBJYEMYCAXLQK-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN CO[C@@H](CSc1cn[nH]n1)c1ccccc1 ZINC000282640295 385775934 /nfs/dbraw/zinc/77/59/34/385775934.db2.gz KYPNCIHMPISOOT-JTQLQIEISA-N 0 1 235.312 2.285 20 0 BEADMN COc1ccnc(CN2CC[C@@H](SC)C2)c1 ZINC000451324666 385782102 /nfs/dbraw/zinc/78/21/02/385782102.db2.gz ZFDGZLYQDGRWPE-GFCCVEGCSA-N 0 1 238.356 2.028 20 0 BEADMN CC(C)=CCN[C@H](CCO)c1ccco1 ZINC000185113166 385718963 /nfs/dbraw/zinc/71/89/63/385718963.db2.gz LGJBYRGFALKIBT-LLVKDONJSA-N 0 1 209.289 2.259 20 0 BEADMN CN(CCC1CCCCC1)C(=O)c1ccn[nH]1 ZINC000337592501 385726125 /nfs/dbraw/zinc/72/61/25/385726125.db2.gz DGPNWQZPEALXKI-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)[O-] ZINC000116325876 385726736 /nfs/dbraw/zinc/72/67/36/385726736.db2.gz PWLIIAGVNKECKR-LBPRGKRZSA-N 0 1 221.300 2.024 20 0 BEADMN Cc1ccc(F)cc1CN1CC2(C1)CCOC2 ZINC000294100327 385805599 /nfs/dbraw/zinc/80/55/99/385805599.db2.gz SAYBLKFBGFJPNA-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN CCSCC[C@@H](C)N(C)Cc1ccn(C)n1 ZINC000271233650 385808173 /nfs/dbraw/zinc/80/81/73/385808173.db2.gz VSPKITNXHQGJGB-LLVKDONJSA-N 0 1 241.404 2.384 20 0 BEADMN O=C(CCCC1CC1)Nc1ccc2[nH]nnc2c1 ZINC000643226692 385808530 /nfs/dbraw/zinc/80/85/30/385808530.db2.gz FJOOTHPYFMQCGN-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN C[C@H](C1CCCCC1)N(C)C(=O)c1cnc[nH]1 ZINC000283144320 385810618 /nfs/dbraw/zinc/81/06/18/385810618.db2.gz IXNLTFKZSRGRLW-SNVBAGLBSA-N 0 1 235.331 2.451 20 0 BEADMN CCN(CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271300566 385815052 /nfs/dbraw/zinc/81/50/52/385815052.db2.gz ONJUGESPGKVEES-SNVBAGLBSA-N 0 1 245.326 2.476 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N[C@@H]2CCC[C@H]2C)cc1 ZINC000261576287 385820806 /nfs/dbraw/zinc/82/08/06/385820806.db2.gz NQAUURNTFAWSLP-BNOWGMLFSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@@H](CN(C)Cc1scnc1C)OC ZINC000412978033 385825633 /nfs/dbraw/zinc/82/56/33/385825633.db2.gz OTSJDEFQVXQWLB-JTQLQIEISA-N 0 1 228.361 2.308 20 0 BEADMN COc1nccnc1CNCCC1=CCCCC1 ZINC000294291060 385832826 /nfs/dbraw/zinc/83/28/26/385832826.db2.gz UFPMLUYDXPZVIO-UHFFFAOYSA-N 0 1 247.342 2.465 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000262222366 385839188 /nfs/dbraw/zinc/83/91/88/385839188.db2.gz KPFVVKRNMXFUBQ-NTZNESFSSA-N 0 1 233.311 2.338 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccc(F)cc2O)[C@H]1C ZINC000294363041 385840432 /nfs/dbraw/zinc/84/04/32/385840432.db2.gz XEMFHCZYEXWPLE-SFYZADRCSA-N 0 1 223.247 2.012 20 0 BEADMN CC[C@@H](C)[C@](C)(O)CNCc1csc(C)n1 ZINC000112380025 385840903 /nfs/dbraw/zinc/84/09/03/385840903.db2.gz FQHHMAZRHDDFFE-BXKDBHETSA-N 0 1 242.388 2.338 20 0 BEADMN CC(=O)Nc1ccc([C@H](C)NCCF)cc1 ZINC000336741130 385842265 /nfs/dbraw/zinc/84/22/65/385842265.db2.gz MYGOXTLIDGCXLV-VIFPVBQESA-N 0 1 224.279 2.265 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@H]2C)n[nH]1 ZINC000294371019 385842755 /nfs/dbraw/zinc/84/27/55/385842755.db2.gz XMSCFIDOLWEYAQ-DTWKUNHWSA-N 0 1 221.304 2.014 20 0 BEADMN CC[C@@H](C(=O)Nc1ncccc1C(C)C)N(C)C ZINC000413645318 385849311 /nfs/dbraw/zinc/84/93/11/385849311.db2.gz VBINDKWAVOOBMU-LBPRGKRZSA-N 0 1 249.358 2.484 20 0 BEADMN CSC[C@@H]1CCCN1Cc1n[nH]cc1C ZINC000284102773 385850334 /nfs/dbraw/zinc/85/03/34/385850334.db2.gz OMZJZQBBEPMALA-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN CSC[C@H]1CCCN1Cc1n[nH]cc1C ZINC000284102775 385850433 /nfs/dbraw/zinc/85/04/33/385850433.db2.gz OMZJZQBBEPMALA-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN CC[N@H+](Cc1occc1C(=O)[O-])CC1CC1 ZINC000069238542 385852484 /nfs/dbraw/zinc/85/24/84/385852484.db2.gz FPCFGTXGJHKNJM-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCCC1CC1 ZINC000643236154 385859049 /nfs/dbraw/zinc/85/90/49/385859049.db2.gz RTVYARJTMNPPHO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1ccc(F)c(CN(C)[C@@H]2CCOC2)c1 ZINC000271146301 385791535 /nfs/dbraw/zinc/79/15/35/385791535.db2.gz ASQOYCKYADKQDV-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN COC[C@H](C)N(C)Cc1sccc1OC ZINC000271137314 385792972 /nfs/dbraw/zinc/79/29/72/385792972.db2.gz UNDVQMQFPGKDSE-VIFPVBQESA-N 0 1 229.345 2.223 20 0 BEADMN CC[C@H](O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000272232545 385886037 /nfs/dbraw/zinc/88/60/37/385886037.db2.gz IACLISOZKSODKW-VIFPVBQESA-N 0 1 247.260 2.307 20 0 BEADMN CC(C)CSCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000340193818 385888945 /nfs/dbraw/zinc/88/89/45/385888945.db2.gz APLCSKVZMHYYLH-TXEJJXNPSA-N 0 1 229.389 2.239 20 0 BEADMN FC1(F)CC(CNc2nc(C3CC3)ns2)C1 ZINC000336720923 385890284 /nfs/dbraw/zinc/89/02/84/385890284.db2.gz ZJBYTIXQJYKNNW-UHFFFAOYSA-N 0 1 245.298 2.295 20 0 BEADMN CCC1(C)CN(C[C@H](O)CC(F)(F)F)C1 ZINC000307938809 385897726 /nfs/dbraw/zinc/89/77/26/385897726.db2.gz RTGIOVYNUVNJDN-MRVPVSSYSA-N 0 1 225.254 2.032 20 0 BEADMN COC(=O)CCCN1CCC=C(c2ccco2)C1 ZINC000285260499 385910861 /nfs/dbraw/zinc/91/08/61/385910861.db2.gz HVDXJQDMYHKBTH-UHFFFAOYSA-N 0 1 249.310 2.322 20 0 BEADMN Cn1cncc1CN1CCC=C(c2ccco2)C1 ZINC000285255641 385911457 /nfs/dbraw/zinc/91/14/57/385911457.db2.gz HLFCXYODRNQFCM-UHFFFAOYSA-N 0 1 243.310 2.302 20 0 BEADMN CS[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000294912446 385914735 /nfs/dbraw/zinc/91/47/35/385914735.db2.gz AHEVXYWGPCHYNH-LLVKDONJSA-N 0 1 226.320 2.158 20 0 BEADMN CC1=C(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CCC1 ZINC000335034050 385923165 /nfs/dbraw/zinc/92/31/65/385923165.db2.gz LVKLVRGQSYNBLX-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)C[C@H](N)c1noc(CCOC(C)C)n1 ZINC000342030188 385925308 /nfs/dbraw/zinc/92/53/08/385925308.db2.gz VBNHKMROTXCMLZ-JTQLQIEISA-N 0 1 241.335 2.083 20 0 BEADMN C[C@H](NCC1=CCCOC1)c1ccncc1F ZINC000337952043 385861014 /nfs/dbraw/zinc/86/10/14/385861014.db2.gz WNQLBVFDPYHHKO-JTQLQIEISA-N 0 1 236.290 2.218 20 0 BEADMN CCN(CCC(C)(C)C)[C@H](C)CS(C)(=O)=O ZINC000112705178 385861276 /nfs/dbraw/zinc/86/12/76/385861276.db2.gz MKKXDIQVDCTXBL-LLVKDONJSA-N 0 1 249.420 2.178 20 0 BEADMN Cc1cnccc1C[N@@H+](CCO)C1CCCC1 ZINC000294520035 385861369 /nfs/dbraw/zinc/86/13/69/385861369.db2.gz FKQWOHJDCMESES-UHFFFAOYSA-N 0 1 234.343 2.127 20 0 BEADMN CC(C)[C@H](O)CN1CCO[C@@H](c2ccccc2)C1 ZINC000284339255 385864099 /nfs/dbraw/zinc/86/40/99/385864099.db2.gz QZNAPDLJNNUSPM-HUUCEWRRSA-N 0 1 249.354 2.077 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nccnc1OC ZINC000294549620 385865002 /nfs/dbraw/zinc/86/50/02/385865002.db2.gz KHSZKWSMXRDTGJ-LLVKDONJSA-N 0 1 235.331 2.250 20 0 BEADMN Fc1ccc([C@H](NC2CCC2)c2nnc[nH]2)cc1 ZINC000294564474 385869323 /nfs/dbraw/zinc/86/93/23/385869323.db2.gz BPUZWKLUXZINHH-LBPRGKRZSA-N 0 1 246.289 2.175 20 0 BEADMN CCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340470440 385871172 /nfs/dbraw/zinc/87/11/72/385871172.db2.gz OJJOQBFFPLEYSH-CYBMUJFWSA-N 0 1 248.305 2.423 20 0 BEADMN C[C@H](Cn1cccn1)N[C@H](C)c1ccncc1F ZINC000338006508 385877591 /nfs/dbraw/zinc/87/75/91/385877591.db2.gz CSKRQQUPAPGVKL-GHMZBOCLSA-N 0 1 248.305 2.157 20 0 BEADMN CC[C@H]1CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000284721169 385882544 /nfs/dbraw/zinc/88/25/44/385882544.db2.gz FUXBZQUGFGMKMN-NSHDSACASA-N 0 1 243.310 2.206 20 0 BEADMN COCc1ccc(C[N@H+]2CC[C@H](SC)C2)o1 ZINC000295140987 385977242 /nfs/dbraw/zinc/97/72/42/385977242.db2.gz ZRNAQCUBYCFULV-LBPRGKRZSA-N 0 1 241.356 2.363 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2nccn2CC)C1 ZINC000414132309 385978907 /nfs/dbraw/zinc/97/89/07/385978907.db2.gz AIXSUELMAMERAT-SDDRHHMPSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@H]1OCC[C@@H]1NCc1cc(F)cnc1Cl ZINC000295181005 385983780 /nfs/dbraw/zinc/98/37/80/385983780.db2.gz VTKFPHVYLCLADX-XCBNKYQSSA-N 0 1 244.697 2.141 20 0 BEADMN COC(=O)c1ccc(C[N@@H+](C(C)C)C2CC2)nc1 ZINC000285992042 385986518 /nfs/dbraw/zinc/98/65/18/385986518.db2.gz MWWJTAFCAKJJOJ-UHFFFAOYSA-N 0 1 248.326 2.241 20 0 BEADMN CC(=O)c1ccc(CN(C)CC(C)(C)CO)cc1 ZINC000295185660 385986591 /nfs/dbraw/zinc/98/65/91/385986591.db2.gz ISEIZFCMPPKLDU-UHFFFAOYSA-N 0 1 249.354 2.340 20 0 BEADMN NC1(c2noc(C3(CCF)CC3)n2)CCCC1 ZINC000414625038 385987456 /nfs/dbraw/zinc/98/74/56/385987456.db2.gz HYAJPDKIGIZYMQ-UHFFFAOYSA-N 0 1 239.294 2.189 20 0 BEADMN COc1ccc(CN2CCC(CF)CC2)nc1 ZINC000295200170 385989849 /nfs/dbraw/zinc/98/98/49/385989849.db2.gz VEEQDSKWVFJZPJ-UHFFFAOYSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1nccc(N[C@H]2CCC[C@@H]2O)c1Cl ZINC000309163801 385992057 /nfs/dbraw/zinc/99/20/57/385992057.db2.gz HZVVISVSORBHLV-WPRPVWTQSA-N 0 1 226.707 2.369 20 0 BEADMN CO[C@@H](c1nc(C2(N)CCCC2)no1)C(C)C ZINC000414625514 385992818 /nfs/dbraw/zinc/99/28/18/385992818.db2.gz XBSIRJNWPAGXMA-SECBINFHSA-N 0 1 239.319 2.141 20 0 BEADMN Cc1cnccc1C[N@@H+](C)CCc1ccccn1 ZINC000294990653 385937917 /nfs/dbraw/zinc/93/79/17/385937917.db2.gz GZQJNCINGPWHPJ-UHFFFAOYSA-N 0 1 241.338 2.460 20 0 BEADMN CN(Cc1ccn(C)c1)Cc1cccnc1 ZINC000272817560 385938694 /nfs/dbraw/zinc/93/86/94/385938694.db2.gz OGRWSXDZBKKOGH-UHFFFAOYSA-N 0 1 215.300 2.052 20 0 BEADMN COc1nccnc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000295011483 385940166 /nfs/dbraw/zinc/94/01/66/385940166.db2.gz ZIARIWRICZTMSD-YPMHNXCESA-N 0 1 247.342 2.250 20 0 BEADMN CCC[C@H](O)CN[C@H](COC)c1ccc(C)o1 ZINC000295014915 385943878 /nfs/dbraw/zinc/94/38/78/385943878.db2.gz PSNRMHADUPUPHQ-NWDGAFQWSA-N 0 1 241.331 2.026 20 0 BEADMN c1cc([C@H]2CCCN2CCc2cccnc2)n[nH]1 ZINC000285593963 385947277 /nfs/dbraw/zinc/94/72/77/385947277.db2.gz BQRWWYDBZZKDGI-CQSZACIVSA-N 0 1 242.326 2.184 20 0 BEADMN CCC[C@@H](O)CNC(C)(C)c1ncc(C)s1 ZINC000295025458 385947528 /nfs/dbraw/zinc/94/75/28/385947528.db2.gz RBYNFGMMRDRVBE-SNVBAGLBSA-N 0 1 242.388 2.437 20 0 BEADMN CS[C@H]1CCN(Cc2ccc(F)nc2C)C1 ZINC000295030264 385947875 /nfs/dbraw/zinc/94/78/75/385947875.db2.gz LPGIZMKKHCGFRM-NSHDSACASA-N 0 1 240.347 2.466 20 0 BEADMN Cc1ccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cn1 ZINC000335839056 385948946 /nfs/dbraw/zinc/94/89/46/385948946.db2.gz LHPNZACPZVPXCU-HNNXBMFYSA-N 0 1 247.386 2.162 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2[C@@H](C)C2(F)F)n1 ZINC000414614283 385950780 /nfs/dbraw/zinc/95/07/80/385950780.db2.gz GZYIEGZYJIRFQD-CSMHCCOUSA-N 0 1 245.273 2.484 20 0 BEADMN C[C@@H](NCCc1ccccc1O)c1ccn(C)n1 ZINC000414080426 385950996 /nfs/dbraw/zinc/95/09/96/385950996.db2.gz SZUOGAWXSITMCO-LLVKDONJSA-N 0 1 245.326 2.019 20 0 BEADMN CO[C@@H](C)CN(C)Cc1nc2ccccc2o1 ZINC000272942602 385951701 /nfs/dbraw/zinc/95/17/01/385951701.db2.gz LIFQQJFIPYPKLV-JTQLQIEISA-N 0 1 234.299 2.295 20 0 BEADMN CC(=O)CCN1Cc2ccccc2OC[C@@H]1C ZINC000272933502 385953395 /nfs/dbraw/zinc/95/33/95/385953395.db2.gz KFNGNEOGODPBML-NSHDSACASA-N 0 1 233.311 2.249 20 0 BEADMN COc1cc(C)c(CN[C@H](C)CF)cc1OC ZINC000342207102 385956243 /nfs/dbraw/zinc/95/62/43/385956243.db2.gz SQLWNMJNFHZVLN-SNVBAGLBSA-N 0 1 241.306 2.460 20 0 BEADMN CC(C)C[C@@H](N)c1noc(C(C)(C)F)n1 ZINC000414617767 385960158 /nfs/dbraw/zinc/96/01/58/385960158.db2.gz LVIPXBABNWFLFV-SSDOTTSWSA-N 0 1 215.272 2.320 20 0 BEADMN C[C@@H](NCc1ncc(C(F)(F)F)cn1)C1CC1 ZINC000295083028 385961143 /nfs/dbraw/zinc/96/11/43/385961143.db2.gz SHGDCQVEFWCZJL-SSDOTTSWSA-N 0 1 245.248 2.384 20 0 BEADMN CO[C@H](CN(C)Cc1cnc(C)s1)C1CC1 ZINC000425402264 385963467 /nfs/dbraw/zinc/96/34/67/385963467.db2.gz GECDIUUKMDMGTC-GFCCVEGCSA-N 0 1 240.372 2.308 20 0 BEADMN CO[C@@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000289985601 385963701 /nfs/dbraw/zinc/96/37/01/385963701.db2.gz YCTLJWAUBJKRGR-WCBMZHEXSA-N 0 1 212.293 2.059 20 0 BEADMN Cc1ccc([C@H](C)N[C@H]2C=C[C@H](CO)C2)o1 ZINC000345053577 385964628 /nfs/dbraw/zinc/96/46/28/385964628.db2.gz UWIGKYSDKXZJMJ-SRVKXCTJSA-N 0 1 221.300 2.176 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cccnc1Cl ZINC000289892863 385965588 /nfs/dbraw/zinc/96/55/88/385965588.db2.gz SSTPXYLPXBISBB-RKDXNWHRSA-N 0 1 228.723 2.248 20 0 BEADMN CCCc1csc(CNC[C@H](O)CCC)n1 ZINC000336747166 385969875 /nfs/dbraw/zinc/96/98/75/385969875.db2.gz XARPGPHOGITIHO-LLVKDONJSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1cnn(CCN[C@H](C)c2ccncc2F)c1 ZINC000338360038 385970814 /nfs/dbraw/zinc/97/08/14/385970814.db2.gz RDTYSAOFXLTNIW-LLVKDONJSA-N 0 1 248.305 2.076 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285861691 385972268 /nfs/dbraw/zinc/97/22/68/385972268.db2.gz ZSVBIFSLGPAEIT-DJLDLDEBSA-N 0 1 244.285 2.434 20 0 BEADMN NCc1cc(C(=O)N[C@@H]2CC23CCCCC3)co1 ZINC000335016116 385972758 /nfs/dbraw/zinc/97/27/58/385972758.db2.gz UPVVDAXLYBXLPC-GFCCVEGCSA-N 0 1 248.326 2.191 20 0 BEADMN CC1(C)SC[C@@H]1NCc1ccn(C(F)F)n1 ZINC000336747427 385973190 /nfs/dbraw/zinc/97/31/90/385973190.db2.gz SCCLCBKBYASANN-QMMMGPOBSA-N 0 1 247.314 2.262 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cc(F)c(F)cc1F ZINC000295126585 385973545 /nfs/dbraw/zinc/97/35/45/385973545.db2.gz OAFUYNKPXJSKBC-VIFPVBQESA-N 0 1 247.260 2.307 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C(C)=O)cc2)C1 ZINC000295258138 385998709 /nfs/dbraw/zinc/99/87/09/385998709.db2.gz IGRGSBHYJAFNPF-GASCZTMLSA-N 0 1 247.338 2.498 20 0 BEADMN CN[C@H](C)c1cn(CCC2CCCC2)nn1 ZINC000309272587 386000501 /nfs/dbraw/zinc/00/05/01/386000501.db2.gz DRSVFAUEMUTRNC-SNVBAGLBSA-N 0 1 222.336 2.139 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@H](C)c2cc(C)on2)C1 ZINC000414151829 386002887 /nfs/dbraw/zinc/00/28/87/386002887.db2.gz WORHJTCEKQQNAW-MXWKQRLJSA-N 0 1 224.304 2.201 20 0 BEADMN C[C@@]1(F)CCCN(CCc2cccnc2)C1 ZINC000295278244 386005673 /nfs/dbraw/zinc/00/56/73/386005673.db2.gz CUOCWXDVIHVQJE-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccn(C)n1 ZINC000414115390 386009578 /nfs/dbraw/zinc/00/95/78/386009578.db2.gz UZHOQRWJYFCHGH-GVXVVHGQSA-N 0 1 237.347 2.028 20 0 BEADMN CCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC1 ZINC000273547744 386012252 /nfs/dbraw/zinc/01/22/52/386012252.db2.gz AWFKMMMBIDNGDW-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN CCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC1 ZINC000273547744 386012257 /nfs/dbraw/zinc/01/22/57/386012257.db2.gz AWFKMMMBIDNGDW-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@@H](C)C2)n1 ZINC000336770403 386015459 /nfs/dbraw/zinc/01/54/59/386015459.db2.gz WQDGXPHRZTUFET-WEDXCCLWSA-N 0 1 209.293 2.217 20 0 BEADMN CCOC(=O)Cc1cc(Cl)c(O)cc1F ZINC000261242299 386017791 /nfs/dbraw/zinc/01/77/91/386017791.db2.gz BBLLNEFUGWDDJW-UHFFFAOYSA-N 0 1 232.638 2.290 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)n[nH]1 ZINC000273647299 386018985 /nfs/dbraw/zinc/01/89/85/386018985.db2.gz IHLIDTOXVHBEMO-SECBINFHSA-N 0 1 235.331 2.226 20 0 BEADMN CCN(C(=O)c1cnc[nH]1)[C@@H]1CCCC[C@H]1C ZINC000334435518 386057183 /nfs/dbraw/zinc/05/71/83/386057183.db2.gz ZHKWSZXAOMATMJ-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414202905 386039434 /nfs/dbraw/zinc/03/94/34/386039434.db2.gz GHZUOSNUFDTZGV-SUHUHFCYSA-N 0 1 249.358 2.047 20 0 BEADMN CO[C@@H](CN1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000338547356 386042376 /nfs/dbraw/zinc/04/23/76/386042376.db2.gz SRFFURNBJYAKCP-ZFWWWQNUSA-N 0 1 248.370 2.010 20 0 BEADMN C[C@@H](N[C@H](C)c1cccnc1)c1cn[nH]c1 ZINC000222477033 386047188 /nfs/dbraw/zinc/04/71/88/386047188.db2.gz ULRJDXVBWDUESW-NXEZZACHSA-N 0 1 216.288 2.217 20 0 BEADMN CC(=O)c1ccc(CN(C)C2CC2)cc1 ZINC000295530517 386047378 /nfs/dbraw/zinc/04/73/78/386047378.db2.gz NHLGWEHBSFEALA-UHFFFAOYSA-N 0 1 203.285 2.483 20 0 BEADMN CCOCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000273938827 386053353 /nfs/dbraw/zinc/05/33/53/386053353.db2.gz ONRKHYXTKCFJDY-UHFFFAOYSA-N 0 1 244.254 2.149 20 0 BEADMN COC1([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000414298840 386105959 /nfs/dbraw/zinc/10/59/59/386105959.db2.gz HKYSNAHWLBXQJE-GRYCIOLGSA-N 0 1 249.358 2.436 20 0 BEADMN Cc1[nH]ncc1CNc1ncnc2sccc21 ZINC000038011996 386107825 /nfs/dbraw/zinc/10/78/25/386107825.db2.gz UAMKSIUPJSATHA-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CN(CC[N@@H+](C)C1CC1)c1nccc2occc21 ZINC000274473392 386108971 /nfs/dbraw/zinc/10/89/71/386108971.db2.gz MUVGQUAXLRHTRC-UHFFFAOYSA-N 0 1 245.326 2.358 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000365479824 386120198 /nfs/dbraw/zinc/12/01/98/386120198.db2.gz WKCXFDYXALMGIO-SLEUVZQESA-N 0 1 231.405 2.123 20 0 BEADMN CC1(C)CC(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000334435961 386058282 /nfs/dbraw/zinc/05/82/82/386058282.db2.gz GEFQACYEUBSRSU-NSHDSACASA-N 0 1 247.342 2.340 20 0 BEADMN C[C@H](NC[C@@H](O)CC1CCCC1)c1ccon1 ZINC000355321929 386061096 /nfs/dbraw/zinc/06/10/96/386061096.db2.gz SUWMOGVMGGZDPM-JQWIXIFHSA-N 0 1 238.331 2.266 20 0 BEADMN Cc1nc(CN(C)[C@@H]2CCC[C@H]2O)sc1C ZINC000286704497 386070604 /nfs/dbraw/zinc/07/06/04/386070604.db2.gz WLWFQEKYBUYQIZ-GHMZBOCLSA-N 0 1 240.372 2.105 20 0 BEADMN CCCn1ncnc1CN1CCC[C@@H]1C1CC1 ZINC000366091448 386071728 /nfs/dbraw/zinc/07/17/28/386071728.db2.gz ZQWKJEVCBJPVPI-GFCCVEGCSA-N 0 1 234.347 2.063 20 0 BEADMN CCN(Cc1cnccc1OC)C1CC1 ZINC000287424354 386122323 /nfs/dbraw/zinc/12/23/23/386122323.db2.gz SZSSZYFGNJTEJR-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN CC[C@H]1CCC[C@H]1N=c1nc(COC)[n-]s1 ZINC000336728484 386074809 /nfs/dbraw/zinc/07/48/09/386074809.db2.gz HEITURDMHPTVMO-DTWKUNHWSA-N 0 1 241.360 2.097 20 0 BEADMN CC[C@@H](F)CN1CCC[C@@H](n2cccn2)C1 ZINC000440690468 386076643 /nfs/dbraw/zinc/07/66/43/386076643.db2.gz FIOLGIZOFGUXOX-VXGBXAGGSA-N 0 1 225.311 2.268 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(C(C)=O)c2)C[C@H]1O ZINC000295751489 386082451 /nfs/dbraw/zinc/08/24/51/386082451.db2.gz ATFGXBMWPBTQOA-UKRRQHHQSA-N 0 1 247.338 2.092 20 0 BEADMN C[C@@H](NCc1csc(Cl)n1)[C@@H]1CCOC1 ZINC000295795110 386087757 /nfs/dbraw/zinc/08/77/57/386087757.db2.gz RXDJGBIOYWEUQN-HTQZYQBOSA-N 0 1 246.763 2.311 20 0 BEADMN CCc1ncc(CNCc2cccs2)cn1 ZINC000414273503 386088984 /nfs/dbraw/zinc/08/89/84/386088984.db2.gz YJVRJJORQBMWNS-UHFFFAOYSA-N 0 1 233.340 2.390 20 0 BEADMN CN(C(=O)c1ccc(F)cc1O)[C@@H]1CC1(C)C ZINC000334460842 386123151 /nfs/dbraw/zinc/12/31/51/386123151.db2.gz NYZXEMUUIJIXIH-LLVKDONJSA-N 0 1 237.274 2.402 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](O)C1)c1cc(F)ccc1F ZINC000295846203 386094928 /nfs/dbraw/zinc/09/49/28/386094928.db2.gz DPLJFGPPGFKWHN-QNSHHTMESA-N 0 1 227.254 2.139 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1ncc(C)s1 ZINC000234784031 386098717 /nfs/dbraw/zinc/09/87/17/386098717.db2.gz LLXLOLAWYDRJQL-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN COc1ccncc1CN(C)[C@H]1CCSC1 ZINC000287754958 386144505 /nfs/dbraw/zinc/14/45/05/386144505.db2.gz LXDBLMYNLXUVAG-NSHDSACASA-N 0 1 238.356 2.028 20 0 BEADMN CN(CCOC1CCC1)Cc1cccnc1 ZINC000287765422 386145576 /nfs/dbraw/zinc/14/55/76/386145576.db2.gz MLOWNLZTAZRYHF-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN CCc1nocc1CN(C)C[C@H](OC)C1CC1 ZINC000425481373 386153219 /nfs/dbraw/zinc/15/32/19/386153219.db2.gz PZMHSTVNAXDPOX-ZDUSSCGKSA-N 0 1 238.331 2.094 20 0 BEADMN Cn1ccnc1CNC1(Cc2ccccc2)CC1 ZINC000274850572 386156490 /nfs/dbraw/zinc/15/64/90/386156490.db2.gz XXGIUMKKASTHOG-UHFFFAOYSA-N 0 1 241.338 2.285 20 0 BEADMN CC/C=C/CN[C@@H](C)c1cc(C)n(C)n1 ZINC000296352844 386167317 /nfs/dbraw/zinc/16/73/17/386167317.db2.gz IIYHCLOPLQBHEE-MLRMMBSGSA-N 0 1 207.321 2.345 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]1c1cccs1 ZINC000263695994 386167332 /nfs/dbraw/zinc/16/73/32/386167332.db2.gz RDROLKCUEBAVOV-JTQLQIEISA-N 0 1 247.323 2.449 20 0 BEADMN CCCN(CC(C)C)C(=O)CN(CC)C1CC1 ZINC000343178429 386172079 /nfs/dbraw/zinc/17/20/79/386172079.db2.gz QJISPNVLTMUBDX-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1nocc1CN(C)[C@H](CO)C(C)(C)C ZINC000647969172 386172247 /nfs/dbraw/zinc/17/22/47/386172247.db2.gz PJMHRNASPYNZRI-GFCCVEGCSA-N 0 1 240.347 2.076 20 0 BEADMN CN(CC(=O)Nc1nccs1)CC(C)(C)C ZINC000263739204 386172591 /nfs/dbraw/zinc/17/25/91/386172591.db2.gz DXHMNUKQMQFLIH-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@H](C)C2)c1 ZINC000263778423 386173796 /nfs/dbraw/zinc/17/37/96/386173796.db2.gz GKWHKXAFKVFMBX-SECBINFHSA-N 0 1 243.310 2.353 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cnccn1 ZINC000414333133 386128315 /nfs/dbraw/zinc/12/83/15/386128315.db2.gz HGRPOLTZDVERIN-GMTAPVOTSA-N 0 1 229.283 2.276 20 0 BEADMN Cc1c([C@@H](C)NCc2cncc(F)c2)cnn1C ZINC000275162084 386189055 /nfs/dbraw/zinc/18/90/55/386189055.db2.gz JBEAYNIUWWKGQN-SECBINFHSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1nc2ccccn2c1CN1CCSCC1 ZINC000334463424 386128463 /nfs/dbraw/zinc/12/84/63/386128463.db2.gz ROGDSFLCWOGXFS-UHFFFAOYSA-N 0 1 247.367 2.192 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340528322 386135840 /nfs/dbraw/zinc/13/58/40/386135840.db2.gz VSEPMDOKIIAPMD-NTZNESFSSA-N 0 1 237.322 2.278 20 0 BEADMN CCCCCCC(=O)Nc1nc(SC)n[nH]1 ZINC000263890038 386189382 /nfs/dbraw/zinc/18/93/82/386189382.db2.gz ZFJJVCWYMUUBCN-UHFFFAOYSA-N 0 1 242.348 2.436 20 0 BEADMN CC(C)c1nccc(N2C[C@H](C)N(C)[C@@H](C)C2)n1 ZINC000338796806 386137227 /nfs/dbraw/zinc/13/72/27/386137227.db2.gz VPHBLXKBGGXYLF-RYUDHWBXSA-N 0 1 248.374 2.129 20 0 BEADMN Clc1ccc2c(c1)CCN(Cc1c[nH]nn1)C2 ZINC000296109280 386137887 /nfs/dbraw/zinc/13/78/87/386137887.db2.gz VCCDJWRSYKSATL-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN Cc1cc(CNc2nccn2CC(C)C)nn1C ZINC000414304316 386137932 /nfs/dbraw/zinc/13/79/32/386137932.db2.gz MGCPVHHWCLZVHW-UHFFFAOYSA-N 0 1 247.346 2.193 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)C2CC2)nn1 ZINC000414366414 386141305 /nfs/dbraw/zinc/14/13/05/386141305.db2.gz BRHDBLVGZUDXKL-SNVBAGLBSA-N 0 1 205.305 2.015 20 0 BEADMN CC[N@H+]1CC[C@H](N[C@H](C)c2cc(C)ccn2)C1 ZINC000414354111 386141653 /nfs/dbraw/zinc/14/16/53/386141653.db2.gz ZSEUBPVKXWASAT-OLZOCXBDSA-N 0 1 233.359 2.135 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340528312 386142090 /nfs/dbraw/zinc/14/20/90/386142090.db2.gz VSEPMDOKIIAPMD-GVXVVHGQSA-N 0 1 237.322 2.278 20 0 BEADMN CN(Cc1cccnc1)[C@@H](CO)c1ccccc1 ZINC000264005931 386203063 /nfs/dbraw/zinc/20/30/63/386203063.db2.gz HHJOEERENZXBSE-HNNXBMFYSA-N 0 1 242.322 2.247 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1CCC1CC1 ZINC000097989275 386207562 /nfs/dbraw/zinc/20/75/62/386207562.db2.gz FYCLWVXYGJAROP-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1ncc(CN(CC)C[C@H]2CCCO2)cn1 ZINC000414378719 386210137 /nfs/dbraw/zinc/21/01/37/386210137.db2.gz HNFSKGRKROJATD-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN CCN(C)C(=O)CNc1ccc2cnccc2c1 ZINC000297009188 386218981 /nfs/dbraw/zinc/21/89/81/386218981.db2.gz TUVYNBNLGLDCGV-UHFFFAOYSA-N 0 1 243.310 2.125 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ncc(C)o2)CC1 ZINC000335372620 386219437 /nfs/dbraw/zinc/21/94/37/386219437.db2.gz HMCQTKBMODYASC-ZDUSSCGKSA-N 0 1 238.331 2.374 20 0 BEADMN CC[C@H](F)CN1CC[C@H](Oc2ccncc2)C1 ZINC000347120062 386235189 /nfs/dbraw/zinc/23/51/89/386235189.db2.gz JZSXCFWFYJDAQT-AAEUAGOBSA-N 0 1 238.306 2.283 20 0 BEADMN C[C@@H](CN(C)Cc1nnc[nH]1)c1ccc(F)cc1 ZINC000275745921 386236654 /nfs/dbraw/zinc/23/66/54/386236654.db2.gz RSUNCEUKUUVJTK-JTQLQIEISA-N 0 1 248.305 2.179 20 0 BEADMN Cc1cnc(CN(C)[C@H]2CC[C@H](O)CC2)s1 ZINC000275797647 386240983 /nfs/dbraw/zinc/24/09/83/386240983.db2.gz FSXCGOHSQSUFDA-XYPYZODXSA-N 0 1 240.372 2.187 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1ccc(C2CC2)cc1 ZINC000416291048 386242604 /nfs/dbraw/zinc/24/26/04/386242604.db2.gz NLGIRWDKVQETTB-NSHDSACASA-N 0 1 246.354 2.303 20 0 BEADMN Nc1cccc(CN2CCOC3(CCC3)C2)c1 ZINC000647969842 386243233 /nfs/dbraw/zinc/24/32/33/386243233.db2.gz UWKQFYKDKDWAQV-UHFFFAOYSA-N 0 1 232.327 2.024 20 0 BEADMN Cc1occc1C[N@@H+](CCCCO)C1CC1 ZINC000414387869 386244020 /nfs/dbraw/zinc/24/40/20/386244020.db2.gz JZJVDGVYLGWYPS-UHFFFAOYSA-N 0 1 223.316 2.325 20 0 BEADMN CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)[C@@H]1CC1(C)C ZINC000416274313 386252202 /nfs/dbraw/zinc/25/22/02/386252202.db2.gz IQFMBIZQKSJEPJ-NWDGAFQWSA-N 0 1 249.358 2.202 20 0 BEADMN CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC1(C)C ZINC000428101597 386198098 /nfs/dbraw/zinc/19/80/98/386198098.db2.gz KIDVMNWXYRDIEO-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN FC(F)COCCN1CCc2ccsc2C1 ZINC000276270159 386293822 /nfs/dbraw/zinc/29/38/22/386293822.db2.gz RZPLTWIIWTWYJR-UHFFFAOYSA-N 0 1 247.310 2.388 20 0 BEADMN CC(C)Cc1ncc(CN(C)[C@@H](C)CO)s1 ZINC000289389552 386295648 /nfs/dbraw/zinc/29/56/48/386295648.db2.gz DPLDNIAPJQAHEZ-JTQLQIEISA-N 0 1 242.388 2.154 20 0 BEADMN CCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000298051154 386295754 /nfs/dbraw/zinc/29/57/54/386295754.db2.gz ZERHJWWVLBTAGG-CYBMUJFWSA-N 0 1 248.370 2.423 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000289412463 386299147 /nfs/dbraw/zinc/29/91/47/386299147.db2.gz AJXUXXYGVUKCQP-VXGBXAGGSA-N 0 1 247.342 2.156 20 0 BEADMN CCC[C@H](CC)NC(=O)c1[nH]nc(C)c1C ZINC000265275404 386324789 /nfs/dbraw/zinc/32/47/89/386324789.db2.gz WXEZNPIPCHVLOB-JTQLQIEISA-N 0 1 223.320 2.335 20 0 BEADMN Cc1cc(CNc2nccn2CC(C)C)n(C)n1 ZINC000416425700 386300916 /nfs/dbraw/zinc/30/09/16/386300916.db2.gz FSJCLFZEYJULSF-UHFFFAOYSA-N 0 1 247.346 2.193 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CCC(C)(C)O1 ZINC000298141668 386301050 /nfs/dbraw/zinc/30/10/50/386301050.db2.gz LQFVMPONNKKUHT-ZDUSSCGKSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@H]1CN(CCOCC(C)C)C[C@H](C)O1 ZINC000336668739 386309064 /nfs/dbraw/zinc/30/90/64/386309064.db2.gz RNICSXYDCRGHLZ-STQMWFEESA-N 0 1 229.364 2.158 20 0 BEADMN FC(F)(F)C1=CCN(CCc2cn[nH]c2)CC1 ZINC000298229910 386310571 /nfs/dbraw/zinc/31/05/71/386310571.db2.gz BEOLTMGKCASZAT-UHFFFAOYSA-N 0 1 245.248 2.147 20 0 BEADMN Cc1cn[nH]c1CNc1cccc([S@@](C)=O)c1 ZINC000289457243 386310645 /nfs/dbraw/zinc/31/06/45/386310645.db2.gz HPGDMIXFZZLTTO-QGZVFWFLSA-N 0 1 249.339 2.068 20 0 BEADMN CN(Cc1ccc(F)cn1)C[C@H]1CCCCO1 ZINC000276364126 386311741 /nfs/dbraw/zinc/31/17/41/386311741.db2.gz MVXPGQHRSKLWHB-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@H](O)CCCN1CCc2ccc(F)cc2C1 ZINC000336669514 386311907 /nfs/dbraw/zinc/31/19/07/386311907.db2.gz AMBNCSGTVBTNAJ-NSHDSACASA-N 0 1 237.318 2.345 20 0 BEADMN Cn1ccc(CN2CCc3ccc(O)cc3C2)c1 ZINC000334482985 386313857 /nfs/dbraw/zinc/31/38/57/386313857.db2.gz XNYFKTCXXPTUNS-UHFFFAOYSA-N 0 1 242.322 2.289 20 0 BEADMN Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)nn1C ZINC000336678658 386318324 /nfs/dbraw/zinc/31/83/24/386318324.db2.gz BVBDEYRBWFMPHD-GXTWGEPZSA-N 0 1 233.359 2.493 20 0 BEADMN CCc1ncc(CN2CCC(C)CC2)cn1 ZINC000335260330 386318561 /nfs/dbraw/zinc/31/85/61/386318561.db2.gz GRIUVQAOCCVNBG-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN CCN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425521222 386321580 /nfs/dbraw/zinc/32/15/80/386321580.db2.gz JUDKLRDHMXOCBD-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CC(=O)c1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000297610153 386266147 /nfs/dbraw/zinc/26/61/47/386266147.db2.gz VNHHIQFQODZHKK-CQSZACIVSA-N 0 1 233.311 2.110 20 0 BEADMN Cc1ccsc1CN1CCC[C@@](F)(CO)C1 ZINC000289145373 386266896 /nfs/dbraw/zinc/26/68/96/386266896.db2.gz AODMPFMYLMWEIF-LBPRGKRZSA-N 0 1 243.347 2.353 20 0 BEADMN CCC[C@H](C)N(C)Cc1ncc(C)cn1 ZINC000336651188 386267064 /nfs/dbraw/zinc/26/70/64/386267064.db2.gz URJLMUBOBFRFAR-NSHDSACASA-N 0 1 207.321 2.405 20 0 BEADMN Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)co1 ZINC000276060400 386267948 /nfs/dbraw/zinc/26/79/48/386267948.db2.gz ZWXJTAVFFRFVIB-LLVKDONJSA-N 0 1 245.282 2.119 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)n[nH]1 ZINC000416316857 386274615 /nfs/dbraw/zinc/27/46/15/386274615.db2.gz HRXDRFCUPAOBOS-LPEHRKFASA-N 0 1 235.331 2.089 20 0 BEADMN CCC1(NCc2cc(COC)on2)CCC1 ZINC000297737085 386276494 /nfs/dbraw/zinc/27/64/94/386276494.db2.gz STBSOEPXOQEKKM-UHFFFAOYSA-N 0 1 224.304 2.243 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cnc(C2CC2)[nH]1 ZINC000416323421 386280118 /nfs/dbraw/zinc/28/01/18/386280118.db2.gz UPRXHWUYWAEOOU-KXUCPTDWSA-N 0 1 247.342 2.404 20 0 BEADMN C[C@@H]1SCCN(Cc2ccno2)[C@H]1C ZINC000265516606 386347667 /nfs/dbraw/zinc/34/76/67/386347667.db2.gz NEQQOWDPYJZXLK-IUCAKERBSA-N 0 1 212.318 2.000 20 0 BEADMN CC(C)N1CCC[C@H]([N@H+]2CCC[C@H](C)C2)C1=O ZINC000248357674 386351656 /nfs/dbraw/zinc/35/16/56/386351656.db2.gz PTLNTTWQABNVOB-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN COC[C@@H]1CCN1CCc1ccc(F)c(F)c1 ZINC000339285171 386353797 /nfs/dbraw/zinc/35/37/97/386353797.db2.gz QFZVIMYSQBLEGB-NSHDSACASA-N 0 1 241.281 2.228 20 0 BEADMN FCCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289807961 386359946 /nfs/dbraw/zinc/35/99/46/386359946.db2.gz IRZUSJNPVDKCEH-JTQLQIEISA-N 0 1 231.702 2.143 20 0 BEADMN CCN(CCc1cccs1)C(=O)c1ccn[nH]1 ZINC000298598787 386363828 /nfs/dbraw/zinc/36/38/28/386363828.db2.gz FRJVNMGCPRAPFY-UHFFFAOYSA-N 0 1 249.339 2.176 20 0 BEADMN Nc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccn1 ZINC000298628042 386366161 /nfs/dbraw/zinc/36/61/61/386366161.db2.gz OFPFLMZEGRSKBL-ZDUSSCGKSA-N 0 1 242.326 2.329 20 0 BEADMN Cc1c[nH]nc1CNCCOc1cccc(F)c1 ZINC000289922413 386371945 /nfs/dbraw/zinc/37/19/45/386371945.db2.gz OPIJPMXDQQSCLR-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN CCCc1noc(CN2C[C@H](C)C[C@H]2C)n1 ZINC000336695534 386375110 /nfs/dbraw/zinc/37/51/10/386375110.db2.gz GKNBEFJDRVLNLN-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN CC(C)(C)OCCN1CC[C@](C)(F)C1 ZINC000347387560 386376293 /nfs/dbraw/zinc/37/62/93/386376293.db2.gz QLXXDGTZXSGBPY-NSHDSACASA-N 0 1 203.301 2.235 20 0 BEADMN COC[C@H](C)N(C)Cc1cc(F)ccc1OC ZINC000298749222 386380278 /nfs/dbraw/zinc/38/02/78/386380278.db2.gz GCSZYIWOICRTBL-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN CC(C)Cc1noc(CN2C[C@H](C)C[C@@H]2C)n1 ZINC000336699020 386383949 /nfs/dbraw/zinc/38/39/49/386383949.db2.gz KTJSMLLSDWSPON-MNOVXSKESA-N 0 1 237.347 2.498 20 0 BEADMN CC/C=C/CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000298357408 386330055 /nfs/dbraw/zinc/33/00/55/386330055.db2.gz HVLLSTZNVUTLQS-PGLGOXFNSA-N 0 1 248.330 2.053 20 0 BEADMN CC[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000265356033 386330373 /nfs/dbraw/zinc/33/03/73/386330373.db2.gz SDGSPXFQBBZTIA-NSHDSACASA-N 0 1 235.331 2.370 20 0 BEADMN CC/C=C/CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000298357415 386331050 /nfs/dbraw/zinc/33/10/50/386331050.db2.gz HVLLSTZNVUTLQS-UFFNRZRYSA-N 0 1 248.330 2.053 20 0 BEADMN CC[C@H]1CCCN1CCCS(=O)(=O)C(C)C ZINC000336681666 386338793 /nfs/dbraw/zinc/33/87/93/386338793.db2.gz REFALOVZUGMZMO-LBPRGKRZSA-N 0 1 247.404 2.074 20 0 BEADMN CCN(Cc1n[nH]c(C2CC2)n1)C1CCC1 ZINC000347483445 386438284 /nfs/dbraw/zinc/43/82/84/386438284.db2.gz OLYXNLHSEPLLCN-UHFFFAOYSA-N 0 1 220.320 2.057 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)C[C@H]2CC)n1 ZINC000336718342 386439429 /nfs/dbraw/zinc/43/94/29/386439429.db2.gz VBUBGOPVBTXFJA-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)C[C@H]2CC)n1 ZINC000336718342 386439433 /nfs/dbraw/zinc/43/94/33/386439433.db2.gz VBUBGOPVBTXFJA-ZYHUDNBSSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)C[C@@H]2CC)n1 ZINC000336718337 386441778 /nfs/dbraw/zinc/44/17/78/386441778.db2.gz VBUBGOPVBTXFJA-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)n1 ZINC000336718337 386441779 /nfs/dbraw/zinc/44/17/79/386441779.db2.gz VBUBGOPVBTXFJA-JQWIXIFHSA-N 0 1 249.358 2.365 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)C1CCCCC1 ZINC000298822369 386388931 /nfs/dbraw/zinc/38/89/31/386388931.db2.gz UARHVBDOGJPCAP-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN CO[C@H](CNCc1n[nH]cc1C)c1ccccc1 ZINC000290071321 386389244 /nfs/dbraw/zinc/38/92/44/386389244.db2.gz YHAGOLSFNQEFGT-CQSZACIVSA-N 0 1 245.326 2.195 20 0 BEADMN CC[C@H](NCC(=O)NC(C)(C)C)c1ccncc1 ZINC000347355528 386391438 /nfs/dbraw/zinc/39/14/38/386391438.db2.gz CGIBECJOFPNCHQ-LBPRGKRZSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1cnc(CSc2nc(C3CC3)n[nH]2)o1 ZINC000266053661 386393363 /nfs/dbraw/zinc/39/33/63/386393363.db2.gz ZQBCNGFQNPSFLR-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1cnc(CSc2n[nH]c(C3CC3)n2)o1 ZINC000266053661 386393367 /nfs/dbraw/zinc/39/33/67/386393367.db2.gz ZQBCNGFQNPSFLR-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN C[C@H](O)CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000336704828 386395708 /nfs/dbraw/zinc/39/57/08/386395708.db2.gz QQTKMPLOJXOAJG-YDHLFZDLSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H](NCc1ccsc1)c1ccc(=O)[nH]n1 ZINC000336776124 386397147 /nfs/dbraw/zinc/39/71/47/386397147.db2.gz DUNHKYHTDUSHEU-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN Cc1cncc(-c2nc([C@@H](N)CC(C)C)no2)c1 ZINC000339386572 386398664 /nfs/dbraw/zinc/39/86/64/386398664.db2.gz FUYSFOOJAVQSRS-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN CCC[C@H]1C[C@H]1NCc1ncc(C)n1C ZINC000336732612 386399580 /nfs/dbraw/zinc/39/95/80/386399580.db2.gz LNMJKUQGUFJHRS-WDEREUQCSA-N 0 1 207.321 2.007 20 0 BEADMN Cc1ccncc1CCCN1CCO[C@H](C)[C@@H]1C ZINC000290188119 386404716 /nfs/dbraw/zinc/40/47/16/386404716.db2.gz ZUAUTFSJRMXLRS-UONOGXRCSA-N 0 1 248.370 2.432 20 0 BEADMN CSCCCCc1nc(C2(N)CCC2)no1 ZINC000339398897 386405337 /nfs/dbraw/zinc/40/53/37/386405337.db2.gz WTWFQDIQYBEFCS-UHFFFAOYSA-N 0 1 241.360 2.093 20 0 BEADMN CCOc1nnc(CN[C@@H](C)[C@@H](C)CC)s1 ZINC000336776686 386405456 /nfs/dbraw/zinc/40/54/56/386405456.db2.gz GIXVRBNUGGWOAD-IUCAKERBSA-N 0 1 243.376 2.461 20 0 BEADMN Cc1ccc(CNC[C@@](C)(O)c2ccco2)o1 ZINC000266166070 386405978 /nfs/dbraw/zinc/40/59/78/386405978.db2.gz PLLQQGKTSQCHAR-CYBMUJFWSA-N 0 1 235.283 2.178 20 0 BEADMN CCOC1CC([N@@H+](C)CCC(F)(F)F)C1 ZINC000347447955 386408156 /nfs/dbraw/zinc/40/81/56/386408156.db2.gz JDCYHNHDVQZNBZ-UHFFFAOYSA-N 0 1 225.254 2.438 20 0 BEADMN C[C@H](O)CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000336707479 386413216 /nfs/dbraw/zinc/41/32/16/386413216.db2.gz ZWHSAARTACCKOR-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H](O)CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000336707483 386413290 /nfs/dbraw/zinc/41/32/90/386413290.db2.gz ZWHSAARTACCKOR-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@]1(C)CCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000347457305 386413550 /nfs/dbraw/zinc/41/35/50/386413550.db2.gz DCZAFZIERUDWTM-ZDUSSCGKSA-N 0 1 234.347 2.304 20 0 BEADMN C[C@H](O)CCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000336707475 386414627 /nfs/dbraw/zinc/41/46/27/386414627.db2.gz ZWHSAARTACCKOR-IPYPFGDCSA-N 0 1 249.354 2.219 20 0 BEADMN CCC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000453323896 386416813 /nfs/dbraw/zinc/41/68/13/386416813.db2.gz QHOXJJDUXOWBPZ-QTEJZOKPSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1csc([C@H](C)NCc2[nH]ncc2C)n1 ZINC000336777282 386419943 /nfs/dbraw/zinc/41/99/43/386419943.db2.gz HYXGCPWNPLUIJD-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN Cc1n[nH]cc1CN(C)Cc1ccc(O)cc1 ZINC000290409465 386428897 /nfs/dbraw/zinc/42/88/97/386428897.db2.gz JYVABYOMFRRLMV-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN FC1(F)CC(NCc2cccc3c2OCO3)C1 ZINC000277384009 386431435 /nfs/dbraw/zinc/43/14/35/386431435.db2.gz CTNDXOXRMTZADK-UHFFFAOYSA-N 0 1 241.237 2.303 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H]1c1ccccc1 ZINC000299595886 386469491 /nfs/dbraw/zinc/46/94/91/386469491.db2.gz FPZOBSICGQJEMA-ZDUSSCGKSA-N 0 1 241.294 2.387 20 0 BEADMN CC[C@H]1CCCN(Cc2cncnc2OC)C1 ZINC000648002702 386474004 /nfs/dbraw/zinc/47/40/04/386474004.db2.gz LRZWEKVBFRVJDJ-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@H]1CCCN(Cc2cncnc2OC)C1 ZINC000648002701 386474256 /nfs/dbraw/zinc/47/42/56/386474256.db2.gz LRZWEKVBFRVJDJ-LLVKDONJSA-N 0 1 235.331 2.107 20 0 BEADMN COC(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000266941548 386481270 /nfs/dbraw/zinc/48/12/70/386481270.db2.gz QAPRYMDWCIVSFV-JSGCOSHPSA-N 0 1 247.338 2.113 20 0 BEADMN Cc1n[nH]c(C(=O)NC2CCC3(CC3)CC2)c1C ZINC000278006587 386482055 /nfs/dbraw/zinc/48/20/55/386482055.db2.gz SEOSNTXHVPCJIS-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN Cc1cccc(CCN2C[C@H](C)OC(C)(C)C2)n1 ZINC000335428761 386483929 /nfs/dbraw/zinc/48/39/29/386483929.db2.gz GGCPLMADSGPGFI-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)OC(C)(C)C1 ZINC000335430056 386485409 /nfs/dbraw/zinc/48/54/09/386485409.db2.gz SEIQUWHRTNKKJC-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@H]1CNCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000335432699 386488334 /nfs/dbraw/zinc/48/83/34/386488334.db2.gz CYEIHVJPVPCMKF-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](O)CNCc1ncc(C(C)C)s1 ZINC000336754864 386488874 /nfs/dbraw/zinc/48/88/74/386488874.db2.gz HRZVICDAGRNAPM-SECBINFHSA-N 0 1 228.361 2.127 20 0 BEADMN CN[C@@H](C)c1cn(Cc2cc(F)ccc2C)nn1 ZINC000310833956 386490369 /nfs/dbraw/zinc/49/03/69/386490369.db2.gz KTUGPKPDMXECCP-JTQLQIEISA-N 0 1 248.305 2.054 20 0 BEADMN Oc1cccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000335433933 386490666 /nfs/dbraw/zinc/49/06/66/386490666.db2.gz LQNKCVIXKNXEJN-CQSZACIVSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278124758 386492803 /nfs/dbraw/zinc/49/28/03/386492803.db2.gz BJOMSKCCVASEHM-VIFPVBQESA-N 0 1 247.264 2.492 20 0 BEADMN Cc1ccc(CNCc2cnn(C)c2)cc1F ZINC000070160159 386496183 /nfs/dbraw/zinc/49/61/83/386496183.db2.gz AKFHLPDVHZWGNF-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1cnc(C)[nH]1 ZINC000267115335 386497436 /nfs/dbraw/zinc/49/74/36/386497436.db2.gz OHTDRXZYZVGDAZ-SECBINFHSA-N 0 1 223.320 2.226 20 0 BEADMN Cc1cnn(CCN(C)[C@H](C)c2ccccn2)c1 ZINC000336791025 386500890 /nfs/dbraw/zinc/50/08/90/386500890.db2.gz ZAHRVDBCEOZEGY-CYBMUJFWSA-N 0 1 244.342 2.280 20 0 BEADMN CO[C@@H](CN[C@H](C)c1nccn1C)CC(C)C ZINC000417330498 386501177 /nfs/dbraw/zinc/50/11/77/386501177.db2.gz DXADQGKYDKFDND-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CO[C@H](CN[C@H](C)c1nccn1C)CC(C)C ZINC000417330495 386501737 /nfs/dbraw/zinc/50/17/37/386501737.db2.gz DXADQGKYDKFDND-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN CCN(CCn1cc(C)cn1)Cc1ccccn1 ZINC000336790030 386502689 /nfs/dbraw/zinc/50/26/89/386502689.db2.gz VMZLTIKWNGAUCI-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN CC[C@@H](O)CNCc1ncc(C(C)(C)C)s1 ZINC000336776129 386502721 /nfs/dbraw/zinc/50/27/21/386502721.db2.gz DUUKUEAAOASSPX-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3ccco3)C2)c1 ZINC000291023024 386503291 /nfs/dbraw/zinc/50/32/91/386503291.db2.gz XWHAHYSTQKODEH-GFCCVEGCSA-N 0 1 231.299 2.232 20 0 BEADMN CCCCCNC(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000339660182 386508319 /nfs/dbraw/zinc/50/83/19/386508319.db2.gz KUVCIHUOIVWRDX-CYBMUJFWSA-N 0 1 238.375 2.333 20 0 BEADMN CCC1(C)CN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000291071559 386508994 /nfs/dbraw/zinc/50/89/94/386508994.db2.gz MWGWVDGCIGYJQG-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1C(=O)[O-] ZINC000335445426 386510330 /nfs/dbraw/zinc/51/03/30/386510330.db2.gz WOLGZXDPHWPDKQ-GXSJLCMTSA-N 0 1 239.340 2.291 20 0 BEADMN CCC[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC000525865278 386510682 /nfs/dbraw/zinc/51/06/82/386510682.db2.gz XIMBEQHPGYCFQR-SECBINFHSA-N 0 1 246.314 2.219 20 0 BEADMN Cc1cc(C)cc(CN(C)C(=O)c2ccn[nH]2)c1 ZINC000335447537 386514067 /nfs/dbraw/zinc/51/40/67/386514067.db2.gz ORVGDSRWKBABBP-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1nccc(NC[C@H](C)C[C@H](C)O)c1Cl ZINC000336779672 386516067 /nfs/dbraw/zinc/51/60/67/386516067.db2.gz PDHBYERZZPSZAF-BDAKNGLRSA-N 0 1 242.750 2.284 20 0 BEADMN c1cnc(CN2CC[C@H](CC3CC3)C2)nc1 ZINC000339680572 386518518 /nfs/dbraw/zinc/51/85/18/386518518.db2.gz QKBIQABUGFMPGB-GFCCVEGCSA-N 0 1 217.316 2.099 20 0 BEADMN C[C@H]1CN(Cc2cccn2C)CC2(CCC2)O1 ZINC000335449515 386519448 /nfs/dbraw/zinc/51/94/48/386519448.db2.gz NRSWLYBBLYIEGT-LBPRGKRZSA-N 0 1 234.343 2.169 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C2CC2)ccn1 ZINC000291188910 386521404 /nfs/dbraw/zinc/52/14/04/386521404.db2.gz MJUSMCKRAGAXDR-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000299496968 386458172 /nfs/dbraw/zinc/45/81/72/386458172.db2.gz HCGZATJSXKJORH-KGLIPLIRSA-N 0 1 246.354 2.348 20 0 BEADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000299530260 386463658 /nfs/dbraw/zinc/46/36/58/386463658.db2.gz NBDSGXLFOOFWEU-JSGCOSHPSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1ccccc1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000299531549 386464969 /nfs/dbraw/zinc/46/49/69/386464969.db2.gz NFPDSVDSRAAGKR-CQSZACIVSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1nc(CCN(C)Cc2ccccc2F)no1 ZINC000299541382 386465693 /nfs/dbraw/zinc/46/56/93/386465693.db2.gz AHZNZQAYPNHHCG-UHFFFAOYSA-N 0 1 249.289 2.192 20 0 BEADMN O=C(c1[nH]nc2ccc(Cl)cc21)N1CCCC1 ZINC000278736595 386574387 /nfs/dbraw/zinc/57/43/87/386574387.db2.gz URTNWEVLXFOOPC-UHFFFAOYSA-N 0 1 249.701 2.452 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cc(F)cc(F)c1 ZINC000097903973 386575479 /nfs/dbraw/zinc/57/54/79/386575479.db2.gz JDFRQRFFTHGUES-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CSCCCCCNCc1csnn1 ZINC000187672948 386580361 /nfs/dbraw/zinc/58/03/61/386580361.db2.gz WRFJEKCEQOJNNY-UHFFFAOYSA-N 0 1 231.390 2.161 20 0 BEADMN Cc1ccc(CNCC2=CCCCC2)nn1 ZINC000414458133 386583453 /nfs/dbraw/zinc/58/34/53/386583453.db2.gz MBJONRMTDVJLFO-UHFFFAOYSA-N 0 1 217.316 2.375 20 0 BEADMN Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)nn1C ZINC000414459885 386588634 /nfs/dbraw/zinc/58/86/34/386588634.db2.gz CAKJJMVYHUXJLP-LSDHHAIUSA-N 0 1 245.370 2.349 20 0 BEADMN CCCc1occc1C(=O)Nc1n[nH]c(CC)n1 ZINC000337060362 386590088 /nfs/dbraw/zinc/59/00/88/386590088.db2.gz ROPXXFUUQZQUHE-UHFFFAOYSA-N 0 1 248.286 2.165 20 0 BEADMN CCCc1occc1C(=O)Nc1nc(CC)n[nH]1 ZINC000337060362 386590093 /nfs/dbraw/zinc/59/00/93/386590093.db2.gz ROPXXFUUQZQUHE-UHFFFAOYSA-N 0 1 248.286 2.165 20 0 BEADMN COCc1cc(CNC[C@H](C)CC(F)F)no1 ZINC000648052250 386592767 /nfs/dbraw/zinc/59/27/67/386592767.db2.gz YRVYVZXRSWPACY-MRVPVSSYSA-N 0 1 248.273 2.202 20 0 BEADMN Cc1cccc(CCN2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000335421737 386593534 /nfs/dbraw/zinc/59/35/34/386593534.db2.gz VVGAXQJGYHEWET-LSDHHAIUSA-N 0 1 246.354 2.186 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000062936044 386530979 /nfs/dbraw/zinc/53/09/79/386530979.db2.gz AJFVUDZEGNRAIV-PXTSUWAFSA-N 0 1 245.322 2.496 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2csnn2)[C@H]1C ZINC000238856159 386536516 /nfs/dbraw/zinc/53/65/16/386536516.db2.gz VCTUKORKCFBIDB-YWVKMMECSA-N 0 1 225.361 2.452 20 0 BEADMN CCN(CC(C)C)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228082181 386537894 /nfs/dbraw/zinc/53/78/94/386537894.db2.gz WHCNBVBQQPBNQT-AWEZNQCLSA-N 0 1 248.370 2.499 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000228073960 386538531 /nfs/dbraw/zinc/53/85/31/386538531.db2.gz ZXGWKSFIRURUGI-TZMCWYRMSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000228073979 386539089 /nfs/dbraw/zinc/53/90/89/386539089.db2.gz ZXGWKSFIRURUGI-OCCSQVGLSA-N 0 1 246.354 2.253 20 0 BEADMN Clc1cnccc1N1CC[C@H](N2CC=CC2)C1 ZINC000267427907 386539737 /nfs/dbraw/zinc/53/97/37/386539737.db2.gz VYZBDASDVXLNEB-NSHDSACASA-N 0 1 249.745 2.186 20 0 BEADMN Cc1cccc(CCN2CC[C@](C)(F)C2)n1 ZINC000335463293 386548205 /nfs/dbraw/zinc/54/82/05/386548205.db2.gz PVDAUBHJYCOFES-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)CC2(CCC2)O1 ZINC000335463656 386548576 /nfs/dbraw/zinc/54/85/76/386548576.db2.gz MFSBHIWONMLSED-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1nccs1 ZINC000148734854 386556801 /nfs/dbraw/zinc/55/68/01/386556801.db2.gz GWYRNIBCJOQLEK-KXUCPTDWSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1c[nH]nc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000291538186 386556913 /nfs/dbraw/zinc/55/69/13/386556913.db2.gz KZXBQIJMBBIXFL-VIFPVBQESA-N 0 1 247.264 2.492 20 0 BEADMN Cn1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000291590477 386559136 /nfs/dbraw/zinc/55/91/36/386559136.db2.gz PSQUWNGDLWXAHP-KGLIPLIRSA-N 0 1 248.370 2.415 20 0 BEADMN CC(C)c1nc(CSc2ncccn2)n[nH]1 ZINC000291618276 386560937 /nfs/dbraw/zinc/56/09/37/386560937.db2.gz IDGVXTYSHWQOJI-UHFFFAOYSA-N 0 1 235.316 2.010 20 0 BEADMN c1ncc(CN2CC3(CCC3)[C@@H]2C2CC2)cn1 ZINC000291650809 386564470 /nfs/dbraw/zinc/56/44/70/386564470.db2.gz UODOWLYKDHVLSJ-ZDUSSCGKSA-N 0 1 229.327 2.241 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)OC[C@H]1C ZINC000335409284 386571577 /nfs/dbraw/zinc/57/15/77/386571577.db2.gz SNHOJPUZMZGXDL-OLZOCXBDSA-N 0 1 234.343 2.042 20 0 BEADMN CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335409836 386571730 /nfs/dbraw/zinc/57/17/30/386571730.db2.gz XCXGBYYAUJFIIV-NEPJUHHUSA-N 0 1 229.389 2.383 20 0 BEADMN C1=C[C@@H](N2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000335411009 386573479 /nfs/dbraw/zinc/57/34/79/386573479.db2.gz VXHDUEDPKKEAIR-OLZOCXBDSA-N 0 1 239.384 2.303 20 0 BEADMN Cc1ccoc1CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268122946 386621970 /nfs/dbraw/zinc/62/19/70/386621970.db2.gz MTIWFTDOYHRYHQ-WCQYABFASA-N 0 1 234.343 2.160 20 0 BEADMN C[C@H](CCO)NCc1ncc(C(C)(C)C)s1 ZINC000279060716 386623246 /nfs/dbraw/zinc/62/32/46/386623246.db2.gz FDOHMIJRRUKIIM-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN CCCC(C)(C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000065174548 386627605 /nfs/dbraw/zinc/62/76/05/386627605.db2.gz ZJGRJJDSBDNQBQ-UHFFFAOYSA-N 0 1 246.314 2.266 20 0 BEADMN CC[C@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000268506710 386631441 /nfs/dbraw/zinc/63/14/41/386631441.db2.gz BBZRJIXWSRBHNA-VIFPVBQESA-N 0 1 228.361 2.047 20 0 BEADMN c1cnc(CN2CC[C@@H](C3CCCC3)C2)nc1 ZINC000335504506 386634861 /nfs/dbraw/zinc/63/48/61/386634861.db2.gz URJAQNBACWODBD-CYBMUJFWSA-N 0 1 231.343 2.489 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000268260644 386635345 /nfs/dbraw/zinc/63/53/45/386635345.db2.gz MOBKNDKKHBNCHD-LLVKDONJSA-N 0 1 235.331 2.308 20 0 BEADMN c1nc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c[nH]1 ZINC000335503857 386635387 /nfs/dbraw/zinc/63/53/87/386635387.db2.gz PKKHQOHSXZTZDS-LBPRGKRZSA-N 0 1 219.332 2.422 20 0 BEADMN CC[C@H](NCc1nc(N(C)C)no1)C(C)(C)C ZINC000337156303 386638305 /nfs/dbraw/zinc/63/83/05/386638305.db2.gz AHAPVYREGDFPEH-VIFPVBQESA-N 0 1 240.351 2.050 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000268323290 386641648 /nfs/dbraw/zinc/64/16/48/386641648.db2.gz LMLJPMFSYHFZDJ-PHIMTYICSA-N 0 1 249.310 2.298 20 0 BEADMN C[C@H]1CN(C(=O)[C@H]2CCCC(C)(C)C2)CCN1 ZINC000335509383 386643839 /nfs/dbraw/zinc/64/38/39/386643839.db2.gz HBKBKMVHHLJQJU-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccnc(NC[C@H](O)Cc2ccccc2)c1 ZINC000268371316 386648941 /nfs/dbraw/zinc/64/89/41/386648941.db2.gz YUPMJDKZNZEKNK-CQSZACIVSA-N 0 1 242.322 2.406 20 0 BEADMN C[C@H](CN[C@@H](C)c1cnccn1)C(F)(F)F ZINC000336759095 386649880 /nfs/dbraw/zinc/64/98/80/386649880.db2.gz ZXVHYFUWZASLJQ-SFYZADRCSA-N 0 1 233.237 2.326 20 0 BEADMN CCC[C@H](C)CN[C@H](C)c1nc(C)no1 ZINC000336757823 386608958 /nfs/dbraw/zinc/60/89/58/386608958.db2.gz JNCCATOTFPRVNI-DTWKUNHWSA-N 0 1 211.309 2.465 20 0 BEADMN C[C@@H](c1ccccn1)N1CCOCC2(CC2)C1 ZINC000335491828 386610015 /nfs/dbraw/zinc/61/00/15/386610015.db2.gz NWEYTHOICUWOSV-LBPRGKRZSA-N 0 1 232.327 2.255 20 0 BEADMN CC[C@@](C)(CNCc1csc(C)n1)OC ZINC000322654269 259691922 /nfs/dbraw/zinc/69/19/22/259691922.db2.gz YLLNVPWEAIKPQH-NSHDSACASA-N 0 1 228.361 2.356 20 0 BEADMN CC(=O)N1CCN(Cc2cccc(C)c2)[C@@H](C)C1 ZINC000268622581 386669733 /nfs/dbraw/zinc/66/97/33/386669733.db2.gz AMURBGOOOZOHTD-ZDUSSCGKSA-N 0 1 246.354 2.048 20 0 BEADMN CCc1noc(CN[C@H]2CC3CCC2CC3)n1 ZINC000645015515 386671886 /nfs/dbraw/zinc/67/18/86/386671886.db2.gz MLPVYHAQFTZDJY-ILDUYXDCSA-N 0 1 235.331 2.300 20 0 BEADMN CC[N@@H+](CCNC(=O)C(C)(C)C1CC1)C1CC1 ZINC000352834728 386682913 /nfs/dbraw/zinc/68/29/13/386682913.db2.gz WEBNPPQTBAPUCJ-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@H]2C=CCCC2)cc1 ZINC000335528467 386675190 /nfs/dbraw/zinc/67/51/90/386675190.db2.gz GKESNPDOTMHTMD-UONOGXRCSA-N 0 1 244.338 2.220 20 0 BEADMN CC[C@@H](C)N(CC(=O)OC)[C@@H]1C=CCCC1 ZINC000337250405 386678696 /nfs/dbraw/zinc/67/86/96/386678696.db2.gz QSKDPOOUQADNOU-VXGBXAGGSA-N 0 1 225.332 2.369 20 0 BEADMN CC[C@@H](C)N(CCCSC)CC(=O)OC ZINC000337234079 386681766 /nfs/dbraw/zinc/68/17/66/386681766.db2.gz KRIUSQGIVRYJAQ-SNVBAGLBSA-N 0 1 233.377 2.013 20 0 BEADMN CCCc1nc(C)c(CN[C@@H](C)COC)o1 ZINC000336783093 386657724 /nfs/dbraw/zinc/65/77/24/386657724.db2.gz ZKGANMPTDLNTCW-VIFPVBQESA-N 0 1 226.320 2.060 20 0 BEADMN Cc1nc(CN2C[C@@H](C)[C@H]2c2ccccc2)n[nH]1 ZINC000292514654 386683086 /nfs/dbraw/zinc/68/30/86/386683086.db2.gz NPYBTGXYXVWEBH-YGRLFVJLSA-N 0 1 242.326 2.306 20 0 BEADMN CC[C@@H](C(=O)Nc1ccccc1C)N(C)C ZINC000268718781 386686365 /nfs/dbraw/zinc/68/63/65/386686365.db2.gz HDXYEBMQMQXECG-LBPRGKRZSA-N 0 1 220.316 2.274 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N(C)C ZINC000268741484 386690705 /nfs/dbraw/zinc/69/07/05/386690705.db2.gz PZSKIFLEUPRIBK-ZDUSSCGKSA-N 0 1 249.358 2.031 20 0 BEADMN Cc1nc(CN2C[C@H](C)C[C@H](C)C2)co1 ZINC000647956825 386699378 /nfs/dbraw/zinc/69/93/78/386699378.db2.gz JGIRLDJYDAWKOV-AOOOYVTPSA-N 0 1 208.305 2.461 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ncn(C)n1 ZINC000391943082 386702361 /nfs/dbraw/zinc/70/23/61/386702361.db2.gz SOIPCBYOZZWCML-WISYIIOYSA-N 0 1 236.363 2.290 20 0 BEADMN CO[C@H](C)c1noc(CN[C@@H]2CCC[C@H]2C)n1 ZINC000330400437 386703487 /nfs/dbraw/zinc/70/34/87/386703487.db2.gz JRHKISJICHDPPJ-OPRDCNLKSA-N 0 1 239.319 2.055 20 0 BEADMN Cc1cncc(CNC(C)(C)c2cnn(C)c2)c1 ZINC000526946401 386707161 /nfs/dbraw/zinc/70/71/61/386707161.db2.gz OSYQEVSZLWAWPV-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN CCC[C@@](C)(CC)C(=O)Nc1nnc(C)[nH]1 ZINC000279773916 386735329 /nfs/dbraw/zinc/73/53/29/386735329.db2.gz BGYFUYVYTMAHPX-LLVKDONJSA-N 0 1 224.308 2.268 20 0 BEADMN C[C@@H](NCC1OCCO1)c1ccccc1Cl ZINC000122137811 386737977 /nfs/dbraw/zinc/73/79/77/386737977.db2.gz VGJJEQFGCJGXQG-SECBINFHSA-N 0 1 241.718 2.364 20 0 BEADMN Cc1nc(C)c(CN(C)[C@H]2CCCOC2)s1 ZINC000334539238 386739337 /nfs/dbraw/zinc/73/93/37/386739337.db2.gz LSASAIWPDVQBSI-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN Cc1noc(CN2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000334142167 386740018 /nfs/dbraw/zinc/74/00/18/386740018.db2.gz MZTGCCHBFFEKIQ-GWCFXTLKSA-N 0 1 235.331 2.390 20 0 BEADMN CCC[C@@H](NCc1nnc(C)o1)C1CCC1 ZINC000325054739 386720679 /nfs/dbraw/zinc/72/06/79/386720679.db2.gz UXWPGJZFFDBHFM-LLVKDONJSA-N 0 1 223.320 2.436 20 0 BEADMN FC1(CNCc2cnn(-c3ccccc3)c2)CC1 ZINC000526983446 386721014 /nfs/dbraw/zinc/72/10/14/386721014.db2.gz SEFMTJHHFHDANO-UHFFFAOYSA-N 0 1 245.301 2.464 20 0 BEADMN CC[C@H]1CCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000292762916 386721968 /nfs/dbraw/zinc/72/19/68/386721968.db2.gz JQCPUEMALRWQAI-NSHDSACASA-N 0 1 249.310 2.408 20 0 BEADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cocn1 ZINC000191942318 386722784 /nfs/dbraw/zinc/72/27/84/386722784.db2.gz LZEDGYAVNBWPTQ-LLVKDONJSA-N 0 1 246.310 2.443 20 0 BEADMN CCn1cncc1CN(C)CCCOC(C)C ZINC000417788648 386722893 /nfs/dbraw/zinc/72/28/93/386722893.db2.gz ILCXMEDQVNWNNQ-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN CCOC(=O)C[C@H](C)CNc1cc(C)ccn1 ZINC000192162029 386746937 /nfs/dbraw/zinc/74/69/37/386746937.db2.gz CWHXTUNIZADSED-NSHDSACASA-N 0 1 236.315 2.391 20 0 BEADMN Cc1cc(CN[C@H]2CCC[C@H]2OC(F)F)on1 ZINC000348523421 386748919 /nfs/dbraw/zinc/74/89/19/386748919.db2.gz DRGXGKTYUDCAPE-VHSXEESVSA-N 0 1 246.257 2.233 20 0 BEADMN C[C@H](NCc1ccsc1)c1ccnn1C ZINC000192251444 386749462 /nfs/dbraw/zinc/74/94/62/386749462.db2.gz QXOJDKKIQNUORE-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN Cc1nnc(CN2CC[C@H](C(C)(C)C)C2)o1 ZINC000334151530 386750547 /nfs/dbraw/zinc/75/05/47/386750547.db2.gz RGORLLQZIGGOAS-JTQLQIEISA-N 0 1 223.320 2.246 20 0 BEADMN c1nc(CNCCCOc2ccccc2)co1 ZINC000192281906 386752279 /nfs/dbraw/zinc/75/22/79/386752279.db2.gz GEMCINGJLFDSLK-UHFFFAOYSA-N 0 1 232.283 2.233 20 0 BEADMN CO[C@H](CN[C@@H](C)c1ccn(C)n1)CC(C)C ZINC000417385959 386756640 /nfs/dbraw/zinc/75/66/40/386756640.db2.gz YGSDDYDOUNMALT-RYUDHWBXSA-N 0 1 239.363 2.132 20 0 BEADMN CCOC1CC(CN[C@@H](C)c2csnn2)C1 ZINC000639264122 386757786 /nfs/dbraw/zinc/75/77/86/386757786.db2.gz ATASDULPCUJTPN-IDKOKCKLSA-N 0 1 241.360 2.004 20 0 BEADMN CS[C@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000192315298 386761842 /nfs/dbraw/zinc/76/18/42/386761842.db2.gz DHPIRJCFGGDDBS-KOLCDFICSA-N 0 1 226.345 2.438 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2COC(C)(C)C2)c2nccn21 ZINC000396525676 386769952 /nfs/dbraw/zinc/76/99/52/386769952.db2.gz XBPJSXZGSWCLRF-MXWKQRLJSA-N 0 1 235.331 2.046 20 0 BEADMN C[C@H](C(N)=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000330504652 386763151 /nfs/dbraw/zinc/76/31/51/386763151.db2.gz IIQLWUSWEYIWJT-PWSUYJOCSA-N 0 1 233.315 2.097 20 0 BEADMN FCCCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000367137466 386763387 /nfs/dbraw/zinc/76/33/87/386763387.db2.gz IWQZQVGWYCZVDI-SNVBAGLBSA-N 0 1 211.284 2.296 20 0 BEADMN OCCC1(CNCc2cocn2)CCCCC1 ZINC000192323733 386764882 /nfs/dbraw/zinc/76/48/82/386764882.db2.gz MLNKDBFOHDXOBG-UHFFFAOYSA-N 0 1 238.331 2.097 20 0 BEADMN OCC[C@H](NCc1cocn1)C1CCCCC1 ZINC000192338864 386764937 /nfs/dbraw/zinc/76/49/37/386764937.db2.gz WFTYKHGFBDPVTD-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)c2cccc(O)c2)n[nH]1 ZINC000293023916 386767854 /nfs/dbraw/zinc/76/78/54/386767854.db2.gz CQLXSZVBTZHESO-VIFPVBQESA-N 0 1 246.314 2.012 20 0 BEADMN Cc1noc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000334142170 386741155 /nfs/dbraw/zinc/74/11/55/386741155.db2.gz MZTGCCHBFFEKIQ-ZWNOBZJWSA-N 0 1 235.331 2.390 20 0 BEADMN CSC[C@H]1CCCN(Cc2n[nH]cc2C)C1 ZINC000292890061 386741390 /nfs/dbraw/zinc/74/13/90/386741390.db2.gz YTWIHLUWMPWWQK-NSHDSACASA-N 0 1 239.388 2.293 20 0 BEADMN CC[C@H](c1ccncc1)N(C)Cc1n[nH]c(C)n1 ZINC000293259175 386792584 /nfs/dbraw/zinc/79/25/84/386792584.db2.gz RWPGQABQUVISAX-GFCCVEGCSA-N 0 1 245.330 2.091 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@@H](NCC(F)(F)CO)C1 ZINC000228650590 386793976 /nfs/dbraw/zinc/79/39/76/386793976.db2.gz QBOIBSSUGYXUQQ-UTLUCORTSA-N 0 1 221.291 2.028 20 0 BEADMN CSCCONC(=O)[C@H](C)c1cccs1 ZINC000280058835 386773844 /nfs/dbraw/zinc/77/38/44/386773844.db2.gz QOSLPXZMTDHNAT-MRVPVSSYSA-N 0 1 245.369 2.262 20 0 BEADMN C[C@@H]1CC2(CN1Cc1cocn1)CCOCC2 ZINC000648070527 386779281 /nfs/dbraw/zinc/77/92/81/386779281.db2.gz AZAGZQHCNWRQQV-LLVKDONJSA-N 0 1 236.315 2.066 20 0 BEADMN CC(C)n1nccc1CN1CCCCC1 ZINC000280130672 386780931 /nfs/dbraw/zinc/78/09/31/386780931.db2.gz DKFTWLKJWGNFBY-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN CO[C@@H](C)CNCc1ncc(CSC)s1 ZINC000293260604 386788606 /nfs/dbraw/zinc/78/86/06/386788606.db2.gz MSKHUGKXNGALMM-QMMMGPOBSA-N 0 1 246.401 2.131 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@H]1C[C@H]1C ZINC000398380718 386817770 /nfs/dbraw/zinc/81/77/70/386817770.db2.gz NAXFLJFYLAMNTH-HXFLIBJXSA-N 0 1 211.334 2.233 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@@H]1C[C@@H]1C ZINC000398380721 386818822 /nfs/dbraw/zinc/81/88/22/386818822.db2.gz NAXFLJFYLAMNTH-UYXSQOIJSA-N 0 1 211.334 2.233 20 0 BEADMN CC(C)(C)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000280499118 386819608 /nfs/dbraw/zinc/81/96/08/386819608.db2.gz KUTHNVZWTFOFDY-JTQLQIEISA-N 0 1 235.331 2.308 20 0 BEADMN CCn1nncc1CN[C@@H]1CCc2ccccc21 ZINC000417854378 386802410 /nfs/dbraw/zinc/80/24/10/386802410.db2.gz JPSNLNHSJUUPQP-CQSZACIVSA-N 0 1 242.326 2.075 20 0 BEADMN O=C(CC1=CCCCC1)NCCN1CC=CCC1 ZINC000280337291 386805242 /nfs/dbraw/zinc/80/52/42/386805242.db2.gz VWGLBQCDKKLNNV-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000248981942 386808974 /nfs/dbraw/zinc/80/89/74/386808974.db2.gz STNSZVRQDILJNL-KBPBESRZSA-N 0 1 247.338 2.414 20 0 BEADMN COc1ncncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000648003996 386813252 /nfs/dbraw/zinc/81/32/52/386813252.db2.gz KYIAXDSTQZSKKQ-WCQYABFASA-N 0 1 247.342 2.250 20 0 BEADMN CC1(C2CC2)CCN(Cc2ncc[nH]2)CC1 ZINC000334749375 386814219 /nfs/dbraw/zinc/81/42/19/386814219.db2.gz HARFWLVMBCBSBC-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCCCCO1 ZINC000329937780 386815856 /nfs/dbraw/zinc/81/58/56/386815856.db2.gz SDYGHWHWCTVAEP-UHFFFAOYSA-N 0 1 245.282 2.121 20 0 BEADMN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)[C@H]1C ZINC000293495623 386825076 /nfs/dbraw/zinc/82/50/76/386825076.db2.gz TZHXNEPIFWBXTQ-DYEKYZERSA-N 0 1 246.354 2.156 20 0 BEADMN CC(C)(C(=O)NC[C@@H]1CC=CCC1)c1cnc[nH]1 ZINC000330679183 386827104 /nfs/dbraw/zinc/82/71/04/386827104.db2.gz CXILBZRLCYCJKA-LLVKDONJSA-N 0 1 247.342 2.160 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](N)c1ccccc1C ZINC000645168246 386829635 /nfs/dbraw/zinc/82/96/35/386829635.db2.gz JENIFUABTHSLNN-WCQYABFASA-N 0 1 234.343 2.300 20 0 BEADMN Cc1nn(C)c2ncc(CN3[C@H](C)C[C@@H]3C)cc12 ZINC000334778299 386830604 /nfs/dbraw/zinc/83/06/04/386830604.db2.gz QQPUHKZRBUFPCZ-AOOOYVTPSA-N 0 1 244.342 2.259 20 0 BEADMN CC(C)(C)C1CN(Cc2cnc3cnccn23)C1 ZINC000334783295 386839547 /nfs/dbraw/zinc/83/95/47/386839547.db2.gz VPGAQECKGGAGSL-UHFFFAOYSA-N 0 1 244.342 2.207 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1ncc(C2CC2)o1 ZINC000352880234 386841226 /nfs/dbraw/zinc/84/12/26/386841226.db2.gz HENLURMWUZIYST-CYBMUJFWSA-N 0 1 238.331 2.049 20 0 BEADMN CC(C)[C@H](C)CNC(=O)c1ccc2cncn2c1 ZINC000339955909 386841386 /nfs/dbraw/zinc/84/13/86/386841386.db2.gz SFYVQPBDFUEJFC-LLVKDONJSA-N 0 1 245.326 2.356 20 0 BEADMN CCc1ncc(CN[C@@H]2CC[C@@H]2SC)o1 ZINC000425341617 386841883 /nfs/dbraw/zinc/84/18/83/386841883.db2.gz DRYGMJAZIYRCCR-ZJUUUORDSA-N 0 1 226.345 2.221 20 0 BEADMN CCc1ncc(CN[C@H]2CC[C@H]2SC)o1 ZINC000425341616 386842967 /nfs/dbraw/zinc/84/29/67/386842967.db2.gz DRYGMJAZIYRCCR-VHSXEESVSA-N 0 1 226.345 2.221 20 0 BEADMN CCc1ncc(CN[C@H]2CC[C@@H]2SC)o1 ZINC000425341615 386843563 /nfs/dbraw/zinc/84/35/63/386843563.db2.gz DRYGMJAZIYRCCR-UWVGGRQHSA-N 0 1 226.345 2.221 20 0 BEADMN CC[C@H]1CCN(Cc2ncc(C)cn2)[C@@H]1C ZINC001645351330 1172656539 /nfs/dbraw/zinc/65/65/39/1172656539.db2.gz HXNYBZXHFXSVOR-NEPJUHHUSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@H](N[C@H]1CCOC1)c1ccc(Cl)cn1 ZINC000336745078 386892061 /nfs/dbraw/zinc/89/20/61/386892061.db2.gz AVKIYHYHPUFXBP-WPRPVWTQSA-N 0 1 226.707 2.175 20 0 BEADMN Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)n[nH]1 ZINC000293663343 386856552 /nfs/dbraw/zinc/85/65/52/386856552.db2.gz MWUFCYRHMNIQFF-GFCCVEGCSA-N 0 1 247.342 2.369 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC1CCCC1 ZINC000357858283 386857010 /nfs/dbraw/zinc/85/70/10/386857010.db2.gz GMYUQODMUGWJCI-HSMVNMDESA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCC1CCCC1 ZINC000357858283 386857016 /nfs/dbraw/zinc/85/70/16/386857016.db2.gz GMYUQODMUGWJCI-HSMVNMDESA-N 0 1 243.416 2.408 20 0 BEADMN COc1ccnc(CNC2CC(C(C)(C)C)C2)n1 ZINC000425349088 386865118 /nfs/dbraw/zinc/86/51/18/386865118.db2.gz FTQRAFUBICTEJW-UHFFFAOYSA-N 0 1 249.358 2.400 20 0 BEADMN CCOc1ccc(CN2CC[C@@H]2COC)cc1 ZINC000293722908 386867642 /nfs/dbraw/zinc/86/76/42/386867642.db2.gz YRJMFJCCIWMNEU-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCOC[C@H](C)C1 ZINC000335749124 386872680 /nfs/dbraw/zinc/87/26/80/386872680.db2.gz QZRSZLPNMYBAED-VXGBXAGGSA-N 0 1 220.316 2.111 20 0 BEADMN CCOC[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000358013272 386878474 /nfs/dbraw/zinc/87/84/74/386878474.db2.gz ADUTYIGSSPCKNC-SKDRFNHKSA-N 0 1 239.290 2.274 20 0 BEADMN CCOC[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000358013270 386878685 /nfs/dbraw/zinc/87/86/85/386878685.db2.gz ADUTYIGSSPCKNC-CABZTGNLSA-N 0 1 239.290 2.274 20 0 BEADMN Cc1nc([C@@H](C)[S@](=O)C2CCCCC2)n[nH]1 ZINC000334836289 386878799 /nfs/dbraw/zinc/87/87/99/386878799.db2.gz LYGRSXBNVOPOHH-BCTVWOGZSA-N 0 1 241.360 2.256 20 0 BEADMN CC1=CCCN(CC(=O)NC2CCCCC2)C1 ZINC000335753963 386880636 /nfs/dbraw/zinc/88/06/36/386880636.db2.gz GLBBRJYFFPDDLV-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](F)C2)c1 ZINC000334838123 386880771 /nfs/dbraw/zinc/88/07/71/386880771.db2.gz FQZMIUXMITTXCB-JTQLQIEISA-N 0 1 247.273 2.055 20 0 BEADMN Cc1ccc(F)c(CN(C)C(=O)c2cnc[nH]2)c1 ZINC000335756386 386884635 /nfs/dbraw/zinc/88/46/35/386884635.db2.gz SORZPZHQRUOFHK-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC000335758474 386885915 /nfs/dbraw/zinc/88/59/15/386885915.db2.gz VLJPRLFQRXGCLI-SNVBAGLBSA-N 0 1 235.331 2.369 20 0 BEADMN CC1(F)CC(NC(=O)c2ccc(F)cc2O)C1 ZINC000334841487 386885933 /nfs/dbraw/zinc/88/59/33/386885933.db2.gz NPPQALTVSZJMHR-UHFFFAOYSA-N 0 1 241.237 2.152 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)n[nH]1 ZINC000293864477 386891021 /nfs/dbraw/zinc/89/10/21/386891021.db2.gz JTDYIHZOZZCGGF-NSHDSACASA-N 0 1 235.331 2.225 20 0 BEADMN C[C@@H]1OCC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000358238257 386917842 /nfs/dbraw/zinc/91/78/42/386917842.db2.gz FFZZGHDSHLRCBA-AXTRIDKLSA-N 0 1 237.274 2.026 20 0 BEADMN CCCCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352888375 386895635 /nfs/dbraw/zinc/89/56/35/386895635.db2.gz OEYWXPGWIDNNBS-MJVIPROJSA-N 0 1 217.378 2.018 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000293917853 386903989 /nfs/dbraw/zinc/90/39/89/386903989.db2.gz CUOOTVDZERNYIW-VHSXEESVSA-N 0 1 243.310 2.352 20 0 BEADMN NC1(c2noc([C@H]3CCCSC3)n2)CCC1 ZINC000334853612 386905184 /nfs/dbraw/zinc/90/51/84/386905184.db2.gz LWDRRBBNBOZCAG-QMMMGPOBSA-N 0 1 239.344 2.018 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000334863725 386920208 /nfs/dbraw/zinc/92/02/08/386920208.db2.gz RZOMXDPYUCGBGW-LLVKDONJSA-N 0 1 207.321 2.278 20 0 BEADMN CO[C@H](C)[C@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358267984 386923620 /nfs/dbraw/zinc/92/36/20/386923620.db2.gz RCJLJOBODUPETQ-IVZWLZJFSA-N 0 1 240.351 2.002 20 0 BEADMN CCc1ncc(CN2CCCC3(CC3)C2)cn1 ZINC000334867569 386926834 /nfs/dbraw/zinc/92/68/34/386926834.db2.gz IJSILUSRUPRCLZ-UHFFFAOYSA-N 0 1 231.343 2.415 20 0 BEADMN Cc1cccc(CN2CC[C@@](F)(CO)C2)c1C ZINC000334817106 386942808 /nfs/dbraw/zinc/94/28/08/386942808.db2.gz CLYBHFLXDSJRHQ-AWEZNQCLSA-N 0 1 237.318 2.210 20 0 BEADMN CC1CN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000334817225 386945196 /nfs/dbraw/zinc/94/51/96/386945196.db2.gz WBTDNPJVWGEYIA-UHFFFAOYSA-N 0 1 225.675 2.138 20 0 BEADMN Cc1cn[nH]c1CNc1cnn([C@H](C)C2CC2)c1 ZINC000352904770 386956152 /nfs/dbraw/zinc/95/61/52/386956152.db2.gz URVXWBAATPNGHD-SNVBAGLBSA-N 0 1 245.330 2.498 20 0 BEADMN Cc1cnn(CCN(C)Cc2ccccc2F)c1 ZINC000341835623 386971187 /nfs/dbraw/zinc/97/11/87/386971187.db2.gz VMYSSOWKPHGHEJ-UHFFFAOYSA-N 0 1 247.317 2.463 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@]2(C)CO)o1 ZINC000331148011 386974276 /nfs/dbraw/zinc/97/42/76/386974276.db2.gz HPHRMZBOXCCQMF-GMXVVIOVSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@@]2(C)CO)o1 ZINC000331148012 386975011 /nfs/dbraw/zinc/97/50/11/386975011.db2.gz HPHRMZBOXCCQMF-GVXVVHGQSA-N 0 1 238.331 2.185 20 0 BEADMN c1nc2ccccn2c1CN1CCC12CCC2 ZINC000334903423 386976728 /nfs/dbraw/zinc/97/67/28/386976728.db2.gz LFLQFFJAFRCDLM-UHFFFAOYSA-N 0 1 227.311 2.463 20 0 BEADMN COC(=O)c1occc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000425360120 386977533 /nfs/dbraw/zinc/97/75/33/386977533.db2.gz WRNQQBJCOZDIOU-NWDGAFQWSA-N 0 1 249.310 2.344 20 0 BEADMN C[C@@H](C(N)=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000331339565 387008057 /nfs/dbraw/zinc/00/80/57/387008057.db2.gz MJZFBDMAFTVXRX-QMMMGPOBSA-N 0 1 238.335 2.063 20 0 BEADMN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ncc[nH]1 ZINC000331161772 386979879 /nfs/dbraw/zinc/97/98/79/386979879.db2.gz MCGLBKCLMHNORU-PSASIEDQSA-N 0 1 248.330 2.469 20 0 BEADMN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ncc[nH]1 ZINC000331161775 386980270 /nfs/dbraw/zinc/98/02/70/386980270.db2.gz MCGLBKCLMHNORU-WPRPVWTQSA-N 0 1 248.330 2.469 20 0 BEADMN C[C@H](O)CCCSc1nc(C(C)(C)C)n[nH]1 ZINC000331207521 386990730 /nfs/dbraw/zinc/99/07/30/386990730.db2.gz PKCCJTMYKVGJOJ-QMMMGPOBSA-N 0 1 243.376 2.355 20 0 BEADMN C[C@H](O)CCCSc1n[nH]c(C(C)(C)C)n1 ZINC000331207521 386990733 /nfs/dbraw/zinc/99/07/33/386990733.db2.gz PKCCJTMYKVGJOJ-QMMMGPOBSA-N 0 1 243.376 2.355 20 0 BEADMN C[C@@H]1CCN(CC2CC(C)(C)C2)CC[S@]1=O ZINC000528473489 386993733 /nfs/dbraw/zinc/99/37/33/386993733.db2.gz GVLZCVTUJYUXIC-BDJLRTHQSA-N 0 1 243.416 2.266 20 0 BEADMN C[C@H]1CCN(CC2CC(C)(C)C2)CC[S@]1=O ZINC000528473494 386994580 /nfs/dbraw/zinc/99/45/80/386994580.db2.gz GVLZCVTUJYUXIC-MEDUHNTESA-N 0 1 243.416 2.266 20 0 BEADMN c1csc(CN2CCC[C@H]3COCC[C@@H]32)n1 ZINC000334919917 386995539 /nfs/dbraw/zinc/99/55/39/386995539.db2.gz ADANSMVKWOGFBJ-QWRGUYRKSA-N 0 1 238.356 2.144 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358712627 387000264 /nfs/dbraw/zinc/00/02/64/387000264.db2.gz IVRMYBOYCSMQIB-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@H](c2ccco2)C1 ZINC000368675749 387002590 /nfs/dbraw/zinc/00/25/90/387002590.db2.gz NSOJCJKHQOQEOF-NSHDSACASA-N 0 1 231.299 2.301 20 0 BEADMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C)nn1C ZINC000334928314 387003956 /nfs/dbraw/zinc/00/39/56/387003956.db2.gz IGMMEIGPAFZTGK-VXGBXAGGSA-N 0 1 221.348 2.491 20 0 BEADMN CN(C)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116459393 386950484 /nfs/dbraw/zinc/95/04/84/386950484.db2.gz FLAPHYAQPWWLHW-GFCCVEGCSA-N 0 1 240.391 2.223 20 0 BEADMN c1nc(CN2CCSC[C@H]2C2CCC2)c[nH]1 ZINC000334954295 387032223 /nfs/dbraw/zinc/03/22/23/387032223.db2.gz ZMQQLALHSXZVDJ-LBPRGKRZSA-N 0 1 237.372 2.127 20 0 BEADMN CO[C@@H](CN1CCn2cccc2[C@H]1C)C1CC1 ZINC000425382905 387034675 /nfs/dbraw/zinc/03/46/75/387034675.db2.gz JKWRGPGJWCFOCV-RISCZKNCSA-N 0 1 234.343 2.290 20 0 BEADMN CCCCCCN1CC[S@@](=O)C[C@@H](C)C1 ZINC000369337390 387038520 /nfs/dbraw/zinc/03/85/20/387038520.db2.gz CAGDQSKSWVVTEU-SWLSCSKDSA-N 0 1 231.405 2.267 20 0 BEADMN COc1ncncc1CN1CCC[C@@H](C(C)C)C1 ZINC000648027464 387038816 /nfs/dbraw/zinc/03/88/16/387038816.db2.gz NHEBTLKGUONVQC-GFCCVEGCSA-N 0 1 249.358 2.353 20 0 BEADMN Cc1cc(CNC(C)(C)C(=O)N(C)C)cs1 ZINC000648451463 387042257 /nfs/dbraw/zinc/04/22/57/387042257.db2.gz XOMINLZDYGHDOG-UHFFFAOYSA-N 0 1 240.372 2.013 20 0 BEADMN c1nc2ccc(NC[C@@H]3CCCOC3)cc2[nH]1 ZINC000334965633 387047111 /nfs/dbraw/zinc/04/71/11/387047111.db2.gz VJLDOGKUQJADRR-JTQLQIEISA-N 0 1 231.299 2.401 20 0 BEADMN CC[C@H](F)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334967627 387050720 /nfs/dbraw/zinc/05/07/20/387050720.db2.gz PODAZKWQPLELKU-QWRGUYRKSA-N 0 1 215.312 2.114 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CCC ZINC000096867308 387055630 /nfs/dbraw/zinc/05/56/30/387055630.db2.gz CRUKXXYSDCTEIC-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1nnc(C2CC2)[nH]1 ZINC000185669830 387056132 /nfs/dbraw/zinc/05/61/32/387056132.db2.gz ZDRXKUNAQKKFHI-ONGXEEELSA-N 0 1 234.347 2.303 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1nnc(C2CC2)[nH]1 ZINC000185669800 387056386 /nfs/dbraw/zinc/05/63/86/387056386.db2.gz ZDRXKUNAQKKFHI-KOLCDFICSA-N 0 1 234.347 2.303 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C(C)(C)O)cs1 ZINC000305633177 387059803 /nfs/dbraw/zinc/05/98/03/387059803.db2.gz NLLYMKVDNFIDFE-NSHDSACASA-N 0 1 240.372 2.187 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000514608019 387012077 /nfs/dbraw/zinc/01/20/77/387012077.db2.gz HDBAOTCAKUXYCY-NSHDSACASA-N 0 1 223.316 2.116 20 0 BEADMN Cc1cc(CN(C)C2CC(C)(C)C2)n(C)n1 ZINC000334937603 387013855 /nfs/dbraw/zinc/01/38/55/387013855.db2.gz OBSLSKNRLYZEJA-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN CC(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000639469725 387015333 /nfs/dbraw/zinc/01/53/33/387015333.db2.gz XJVREGSYULBBEV-CYBMUJFWSA-N 0 1 217.312 2.373 20 0 BEADMN c1cc(CN[C@H]2COCc3ccccc32)c[nH]1 ZINC000334939084 387016398 /nfs/dbraw/zinc/01/63/98/387016398.db2.gz VILLSBTVMWUDGO-AWEZNQCLSA-N 0 1 228.295 2.376 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H]2C(C)C)n1C ZINC000117347432 387017164 /nfs/dbraw/zinc/01/71/64/387017164.db2.gz YUMISYQQBUMFOI-GFCCVEGCSA-N 0 1 236.363 2.134 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@@]1(C)CO ZINC000527324181 387022461 /nfs/dbraw/zinc/02/24/61/387022461.db2.gz QXONBVHXAXERQK-AWEZNQCLSA-N 0 1 237.318 2.481 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@H]2C2CCC2)c1C ZINC000333241637 387022944 /nfs/dbraw/zinc/02/29/44/387022944.db2.gz DZUVKZUZGXJSMD-RYUDHWBXSA-N 0 1 247.342 2.193 20 0 BEADMN NC1(c2noc(/C=C/c3cncs3)n2)CCC1 ZINC000519154440 387024353 /nfs/dbraw/zinc/02/43/53/387024353.db2.gz MFNCLKGIPQRFLQ-NSCUHMNNSA-N 0 1 248.311 2.034 20 0 BEADMN COc1ncncc1CN1CC[C@H](C)C(C)(C)C1 ZINC000648024059 387028548 /nfs/dbraw/zinc/02/85/48/387028548.db2.gz YYURRICZJSKVOO-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CCC1CCC1 ZINC000359219746 387070927 /nfs/dbraw/zinc/07/09/27/387070927.db2.gz PULNKLGRKMJANR-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](O)CN1CCC[C@@H]1c1nccs1 ZINC000369824328 387071790 /nfs/dbraw/zinc/07/17/90/387071790.db2.gz AEXIKMFZGIGXKS-NXEZZACHSA-N 0 1 226.345 2.051 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@@H](C)C(C)C ZINC000359230658 387072352 /nfs/dbraw/zinc/07/23/52/387072352.db2.gz YAIAWSRIVYTTBH-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nc(CN2CCOCC3(CC3)C2)cs1 ZINC000334989663 387078361 /nfs/dbraw/zinc/07/83/61/387078361.db2.gz PNCQWVUHKATSSK-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CN(Cc1ccncc1Cl)[C@@H]1CCC[C@H]1O ZINC000336241008 387078546 /nfs/dbraw/zinc/07/85/46/387078546.db2.gz INMGXPKANIDSLT-VXGBXAGGSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000336240488 387079332 /nfs/dbraw/zinc/07/93/32/387079332.db2.gz BYFVETIYWUJZNY-ZANVPECISA-N 0 1 235.331 2.161 20 0 BEADMN CCn1cncc1CN1CCC(CF)CC1 ZINC000418071832 387084126 /nfs/dbraw/zinc/08/41/26/387084126.db2.gz JLPGQKWYYNXUPF-UHFFFAOYSA-N 0 1 225.311 2.085 20 0 BEADMN CO[C@@H]1CCN(Cc2ccc(F)cn2)C[C@H]1C ZINC000336257556 387087146 /nfs/dbraw/zinc/08/71/46/387087146.db2.gz NCTAIVDCNKUCFU-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN COC1CN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000418079497 387089236 /nfs/dbraw/zinc/08/92/36/387089236.db2.gz ACOPHDNIBFZVHZ-OCCSQVGLSA-N 0 1 217.312 2.121 20 0 BEADMN COCC(C)(C)NCc1nc2ccccc2n1C ZINC000066995919 387091598 /nfs/dbraw/zinc/09/15/98/387091598.db2.gz NWMVBNWGXJVDHA-UHFFFAOYSA-N 0 1 247.342 2.088 20 0 BEADMN CCn1nncc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000418081954 387091824 /nfs/dbraw/zinc/09/18/24/387091824.db2.gz OVKSSBQWCUVXFT-ZDUSSCGKSA-N 0 1 248.374 2.309 20 0 BEADMN C[C@H](c1ccccc1)N1C[C@@H](CO)OC(C)(C)C1 ZINC000228948406 387131233 /nfs/dbraw/zinc/13/12/33/387131233.db2.gz HSUZBCDXDCHAIE-OCCSQVGLSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)(C(=O)Nc1cccc(O)c1)c1cnc[nH]1 ZINC000336260221 387094903 /nfs/dbraw/zinc/09/49/03/387094903.db2.gz YGPJODYINHLYMT-UHFFFAOYSA-N 0 1 245.282 2.032 20 0 BEADMN CNC(=O)CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000068301030 387103018 /nfs/dbraw/zinc/10/30/18/387103018.db2.gz LPWNTQBNMSXFGN-CQSZACIVSA-N 0 1 246.354 2.186 20 0 BEADMN Cc1cnn(CCN2CCC[C@](C)(F)C2)c1 ZINC000336270120 387103739 /nfs/dbraw/zinc/10/37/39/387103739.db2.gz LNDVSDDRDKMTMR-LBPRGKRZSA-N 0 1 225.311 2.016 20 0 BEADMN Cc1ccc([C@@]2(C)CC[N@H+]([C@@H](C)C(=O)[O-])C2)cc1 ZINC000336286660 387120495 /nfs/dbraw/zinc/12/04/95/387120495.db2.gz WFLDOSLZHWPVSY-WFASDCNBSA-N 0 1 247.338 2.432 20 0 BEADMN CCn1cncc1CN[C@@H]1CCCC[C@H]1F ZINC000418102534 387123897 /nfs/dbraw/zinc/12/38/97/387123897.db2.gz RTXSBZLPCSQIDW-VXGBXAGGSA-N 0 1 225.311 2.273 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359558537 387124436 /nfs/dbraw/zinc/12/44/36/387124436.db2.gz OOPSAXIHUVKBGX-GMXVVIOVSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1nnc(C[N@@H+]2CCCC[C@@H](C)C2)s1 ZINC000336318820 387143773 /nfs/dbraw/zinc/14/37/73/387143773.db2.gz ROCFFPDUONFFMJ-SECBINFHSA-N 0 1 225.361 2.469 20 0 BEADMN Cc1nnc(CN2CCCC[C@@H](C)C2)s1 ZINC000336318820 387143774 /nfs/dbraw/zinc/14/37/74/387143774.db2.gz ROCFFPDUONFFMJ-SECBINFHSA-N 0 1 225.361 2.469 20 0 BEADMN O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H]2CCC[C@H]21 ZINC000336319272 387144117 /nfs/dbraw/zinc/14/41/17/387144117.db2.gz BOKPAVLREFQGMK-GXFFZTMASA-N 0 1 245.326 2.302 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cnc(C2CC2)s1 ZINC000648631552 387146096 /nfs/dbraw/zinc/14/60/96/387146096.db2.gz BBBAYSURQWGXHH-JTQLQIEISA-N 0 1 240.372 2.223 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N(C)CCCSC ZINC000352401580 387147636 /nfs/dbraw/zinc/14/76/36/387147636.db2.gz INTIXPJAHVPYEX-LLVKDONJSA-N 0 1 247.404 2.259 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000418125194 387149619 /nfs/dbraw/zinc/14/96/19/387149619.db2.gz NGMUUEMZABYBNK-HOSYDEDBSA-N 0 1 236.363 2.083 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCCOC1 ZINC000336322472 387150794 /nfs/dbraw/zinc/15/07/94/387150794.db2.gz ANKXHBXPQRZQRB-CYBMUJFWSA-N 0 1 223.291 2.437 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336325305 387152309 /nfs/dbraw/zinc/15/23/09/387152309.db2.gz QSHARSLQHHFAFI-UKRRQHHQSA-N 0 1 246.354 2.391 20 0 BEADMN CC(C)[C@@H](C)NCc1nn(C)cc1Cl ZINC000393295712 387153599 /nfs/dbraw/zinc/15/35/99/387153599.db2.gz PACQAFHXDNQRLE-MRVPVSSYSA-N 0 1 215.728 2.208 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000336327156 387155174 /nfs/dbraw/zinc/15/51/74/387155174.db2.gz KYMSVGHYZKNGNQ-CYBMUJFWSA-N 0 1 247.273 2.137 20 0 BEADMN CN(Cc1cc(F)c(F)c(F)c1)C1CC(O)C1 ZINC000336335629 387160374 /nfs/dbraw/zinc/16/03/74/387160374.db2.gz VNWHXXXJDXBBGL-UHFFFAOYSA-N 0 1 245.244 2.059 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000352415999 387170113 /nfs/dbraw/zinc/17/01/13/387170113.db2.gz QQVWEXBACIPXLR-VXGBXAGGSA-N 0 1 225.311 2.186 20 0 BEADMN Cc1cnc([C@H](C)NC[C@H](O)C(C)C)s1 ZINC000292806772 387170696 /nfs/dbraw/zinc/17/06/96/387170696.db2.gz BWYHZWMBMFGBIF-UWVGGRQHSA-N 0 1 228.361 2.119 20 0 BEADMN Cc1cnc(CN2CC[C@H]3CCC[C@@H]32)nc1 ZINC000336346027 387174362 /nfs/dbraw/zinc/17/43/62/387174362.db2.gz CMVRRKVRICXZAU-NEPJUHHUSA-N 0 1 217.316 2.159 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@H]1NCC(F)(F)CN ZINC000423333901 387180314 /nfs/dbraw/zinc/18/03/14/387180314.db2.gz FGJNKVALMHBOOV-HBNTYKKESA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@H]1NCC(F)(F)CN ZINC000423333900 387180716 /nfs/dbraw/zinc/18/07/16/387180716.db2.gz FGJNKVALMHBOOV-GMTAPVOTSA-N 0 1 234.334 2.385 20 0 BEADMN CC[C@]1(C)C[N@@H+](CC[C@H](C)F)CCO1 ZINC000352421372 387184498 /nfs/dbraw/zinc/18/44/98/387184498.db2.gz KXRXGLNODBYWAN-WDEREUQCSA-N 0 1 203.301 2.235 20 0 BEADMN C[C@@H](F)CCN1CCC[C@@H]1c1cc[nH]n1 ZINC000352422443 387186281 /nfs/dbraw/zinc/18/62/81/387186281.db2.gz ROMLXBCULVUBIX-MWLCHTKSSA-N 0 1 211.284 2.295 20 0 BEADMN C[C@@H]1CCC[C@@H](NCC(F)(F)CO)[C@H]1C ZINC000248773834 387140397 /nfs/dbraw/zinc/14/03/97/387140397.db2.gz YNVMLOSQRQNITB-KXUCPTDWSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1ncc(CNC2CC(OC(C)C)C2)o1 ZINC000459680051 387203218 /nfs/dbraw/zinc/20/32/18/387203218.db2.gz UPWKGDYHNBCDBV-UHFFFAOYSA-N 0 1 224.304 2.029 20 0 BEADMN C[C@H](CCC1CC1)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187837342 387216105 /nfs/dbraw/zinc/21/61/05/387216105.db2.gz AQEREPKBTDHLOE-ZETOZRRWSA-N 0 1 231.405 2.264 20 0 BEADMN C[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1 ZINC000187910230 387217473 /nfs/dbraw/zinc/21/74/73/387217473.db2.gz CJPMADWKWJZJGC-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)[O-])o1 ZINC000309781614 387221148 /nfs/dbraw/zinc/22/11/48/387221148.db2.gz RIMVRCOSMANTFL-ZJUUUORDSA-N 0 1 223.272 2.198 20 0 BEADMN Cc1noc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000336390548 387221241 /nfs/dbraw/zinc/22/12/41/387221241.db2.gz NPJUCMVCGYYDPM-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN CCC[C@H]1C[C@@H]1C(=O)NCCCc1cn[nH]c1C ZINC000360139608 387232513 /nfs/dbraw/zinc/23/25/13/387232513.db2.gz DKKPHNJNERWDSO-AAEUAGOBSA-N 0 1 249.358 2.203 20 0 BEADMN CSCCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000353575521 387233334 /nfs/dbraw/zinc/23/33/34/387233334.db2.gz OJJISYXRBQFVSM-JTQLQIEISA-N 0 1 241.360 2.268 20 0 BEADMN CSCCCN1CCC[C@H]1c1nc(C)no1 ZINC000353575521 387233337 /nfs/dbraw/zinc/23/33/37/387233337.db2.gz OJJISYXRBQFVSM-JTQLQIEISA-N 0 1 241.360 2.268 20 0 BEADMN CCc1nc(CN[C@]2(C)CCO[C@@H]2C)cs1 ZINC000230155935 387235659 /nfs/dbraw/zinc/23/56/59/387235659.db2.gz WQHPHZSDOZSYSG-BXKDBHETSA-N 0 1 240.372 2.363 20 0 BEADMN C[C@@H]1CCCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000187975378 387249939 /nfs/dbraw/zinc/24/99/39/387249939.db2.gz PIJXDGCIEKBHIC-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc(CN[C@@H](C)c2cnn(C)c2)c(C)n1 ZINC000360259569 387252037 /nfs/dbraw/zinc/25/20/37/387252037.db2.gz XKSKZBRZPZDNMS-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CCN(CC1CCC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000571894645 387195171 /nfs/dbraw/zinc/19/51/71/387195171.db2.gz HMHAUKKCBNRXRB-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H]2C(C)C)n[nH]1 ZINC000336480321 387310046 /nfs/dbraw/zinc/31/00/46/387310046.db2.gz GPXFDPOWOAUBPU-GFCCVEGCSA-N 0 1 235.331 2.404 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000514949019 387311873 /nfs/dbraw/zinc/31/18/73/387311873.db2.gz FUZILWVMIASIRQ-DMDPSCGWSA-N 0 1 249.358 2.235 20 0 BEADMN C[C@@H]1CC(C)(C)C[C@H]1NCC(F)(F)CO ZINC000193149514 387312208 /nfs/dbraw/zinc/31/22/08/387312208.db2.gz SRGSFNSOVRGHPL-RKDXNWHRSA-N 0 1 221.291 2.028 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354024266 387313046 /nfs/dbraw/zinc/31/30/46/387313046.db2.gz MOKMWBRXUTXNQJ-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000162088751 387313366 /nfs/dbraw/zinc/31/33/66/387313366.db2.gz HXRDQVMGUBNKGQ-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@H]1CCCCN1CC(=O)Nc1ccncc1 ZINC000120643809 387260181 /nfs/dbraw/zinc/26/01/81/387260181.db2.gz NABSVZZBDRDKGZ-ZDUSSCGKSA-N 0 1 247.342 2.285 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C)[nH]1 ZINC000424730520 387261915 /nfs/dbraw/zinc/26/19/15/387261915.db2.gz DWPBGVGBTZVXLE-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCCC[C@@H]2C)n1 ZINC000424730520 387261919 /nfs/dbraw/zinc/26/19/19/387261919.db2.gz DWPBGVGBTZVXLE-DTWKUNHWSA-N 0 1 236.319 2.132 20 0 BEADMN COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccn1 ZINC000336438796 387263421 /nfs/dbraw/zinc/26/34/21/387263421.db2.gz HUYPZMGLGZLQIR-BETUJISGSA-N 0 1 232.327 2.322 20 0 BEADMN CCc1nc(CSCc2cccnc2)n[nH]1 ZINC000572200146 387264977 /nfs/dbraw/zinc/26/49/77/387264977.db2.gz KWYNAMDWSIXJOA-UHFFFAOYSA-N 0 1 234.328 2.196 20 0 BEADMN CCC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000360362001 387271567 /nfs/dbraw/zinc/27/15/67/387271567.db2.gz GYMKKWDLMRNTEU-USWWRNFRSA-N 0 1 247.342 2.340 20 0 BEADMN CCC1(O)CCN(Cc2c(C)noc2C)CC1 ZINC000336446454 387276059 /nfs/dbraw/zinc/27/60/59/387276059.db2.gz LJHFZYWMPKCRBL-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN Cc1nc(C(C)C)oc1CN1C[C@H](O)C[C@@H]1C ZINC000336452919 387280624 /nfs/dbraw/zinc/28/06/24/387280624.db2.gz JRLRJZOZPLTQLI-GXSJLCMTSA-N 0 1 238.331 2.062 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1C[C@@H]1CC=CCC1 ZINC000353827950 387282379 /nfs/dbraw/zinc/28/23/79/387282379.db2.gz QRCIFRBYYAZLBF-OQMKEHIESA-N 0 1 241.400 2.184 20 0 BEADMN CCC[C@H]1CCCN([C@@H](C)C(=O)OC)C1 ZINC000120942758 387285384 /nfs/dbraw/zinc/28/53/84/387285384.db2.gz HPDHWTCIFLUORL-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1occc1CN(C)C[C@H]1CCCO1 ZINC000193992645 387287622 /nfs/dbraw/zinc/28/76/22/387287622.db2.gz BHXPWXQPABYRTG-GFCCVEGCSA-N 0 1 209.289 2.199 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000191047497 387289114 /nfs/dbraw/zinc/28/91/14/387289114.db2.gz XKCMBQURZZUBCV-CHWSQXEVSA-N 0 1 239.359 2.474 20 0 BEADMN CSCCN(C)Cc1cnc2cccc(C)n12 ZINC000353909996 387296529 /nfs/dbraw/zinc/29/65/29/387296529.db2.gz FDGHLZXZWVVLKN-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@@H]2C[C@H]2C)s1 ZINC000321743620 387297051 /nfs/dbraw/zinc/29/70/51/387297051.db2.gz ZPMDGMZEUGQGKJ-IWSPIJDZSA-N 0 1 225.361 2.235 20 0 BEADMN C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)[C@H]1C ZINC000336468594 387297109 /nfs/dbraw/zinc/29/71/09/387297109.db2.gz XMLFYPKJUHDRKZ-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCN1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360541571 387306719 /nfs/dbraw/zinc/30/67/19/387306719.db2.gz GVTBDYUDZVVUPV-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cccc(CN(C)C[C@H](O)C2CC2)c1F ZINC000648586486 387357842 /nfs/dbraw/zinc/35/78/42/387357842.db2.gz TXRMRULJJYHPAU-ZDUSSCGKSA-N 0 1 237.318 2.337 20 0 BEADMN c1snnc1CNC[C@H]1C[C@H]1c1ccccc1 ZINC000354296009 387358184 /nfs/dbraw/zinc/35/81/84/387358184.db2.gz LCRBVVMZRIJVAF-YPMHNXCESA-N 0 1 245.351 2.431 20 0 BEADMN CC[C@@H](COC)NCc1noc2ccccc12 ZINC000515311701 387358504 /nfs/dbraw/zinc/35/85/04/387358504.db2.gz STIGVMCNGNWQEW-JTQLQIEISA-N 0 1 234.299 2.342 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])C1CC1 ZINC000515312302 387359546 /nfs/dbraw/zinc/35/95/46/387359546.db2.gz IZAYWFBHOIWFHR-OFLACMMISA-N 0 1 223.316 2.113 20 0 BEADMN CCN(CC(=O)OC)C[C@@H](C)Cc1ccccc1 ZINC000360870045 387359660 /nfs/dbraw/zinc/35/96/60/387359660.db2.gz GDASWVSFRUSSHY-ZDUSSCGKSA-N 0 1 249.354 2.360 20 0 BEADMN Cc1noc(CN[C@H](C)C2CCCC2)n1 ZINC000054080874 387369676 /nfs/dbraw/zinc/36/96/76/387369676.db2.gz DKKGKZDMLQUHFR-MRVPVSSYSA-N 0 1 209.293 2.046 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000336549825 387370102 /nfs/dbraw/zinc/37/01/02/387370102.db2.gz QFNLCLMERKORMR-LSDHHAIUSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1ccc2c(c1)C[N@H+](CCn1cccn1)C2 ZINC000336548298 387370623 /nfs/dbraw/zinc/37/06/23/387370623.db2.gz LJGPTZIYEQJQAE-UHFFFAOYSA-N 0 1 227.311 2.207 20 0 BEADMN Cc1ccc2c(c1)CN(CCn1cccn1)C2 ZINC000336548298 387370627 /nfs/dbraw/zinc/37/06/27/387370627.db2.gz LJGPTZIYEQJQAE-UHFFFAOYSA-N 0 1 227.311 2.207 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000336549823 387370888 /nfs/dbraw/zinc/37/08/88/387370888.db2.gz QFNLCLMERKORMR-HUUCEWRRSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@@H](C)[C@H]2C)n1 ZINC000336551500 387373442 /nfs/dbraw/zinc/37/34/42/387373442.db2.gz DPGZHJDPCOZCKJ-MWLCHTKSSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C)[C@H]2C)n1 ZINC000336551500 387373445 /nfs/dbraw/zinc/37/34/45/387373445.db2.gz DPGZHJDPCOZCKJ-MWLCHTKSSA-N 0 1 205.305 2.015 20 0 BEADMN COC(=O)c1cnc([C@H](C)NC2CCC2)s1 ZINC000315444338 387373617 /nfs/dbraw/zinc/37/36/17/387373617.db2.gz XOBAYKZVMXUNMN-ZETCQYMHSA-N 0 1 240.328 2.133 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C(C)C)C2)nc1 ZINC000336553082 387374472 /nfs/dbraw/zinc/37/44/72/387374472.db2.gz IEPZWCYFNNMPAU-GFCCVEGCSA-N 0 1 219.332 2.263 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373494438 387375370 /nfs/dbraw/zinc/37/53/70/387375370.db2.gz KOMAEGDOVXVILF-KGLIPLIRSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)c1cc(N[C@H]2CC2(C)C)nc(N(C)C)n1 ZINC000360964014 387375940 /nfs/dbraw/zinc/37/59/40/387375940.db2.gz KJIJAJUQBOMZEH-NSHDSACASA-N 0 1 248.374 2.298 20 0 BEADMN Cc1cnc(CN2C[C@@H](C)CC[C@H]2C)nc1 ZINC000336555255 387376919 /nfs/dbraw/zinc/37/69/19/387376919.db2.gz RDONSFVYVVINRW-CMPLNLGQSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1ccc(CCC(=O)NCc2cnc[nH]2)s1 ZINC000354453564 387378727 /nfs/dbraw/zinc/37/87/27/387378727.db2.gz NOZZIQRABULVNH-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN Cc1cncc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC000515433999 387379980 /nfs/dbraw/zinc/37/99/80/387379980.db2.gz DWURCIOCBLEAFW-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN C[C@@]1(F)CCC[N@@H+](Cc2ncccc2O)C1 ZINC000648606325 387380513 /nfs/dbraw/zinc/38/05/13/387380513.db2.gz URLIBHUPJUTLLO-GFCCVEGCSA-N 0 1 224.279 2.111 20 0 BEADMN Cc1nnc(CN(C)C2CCCCCC2)[nH]1 ZINC000336494516 387320272 /nfs/dbraw/zinc/32/02/72/387320272.db2.gz PNIKXKLCVKIIII-UHFFFAOYSA-N 0 1 222.336 2.268 20 0 BEADMN C[C@@H]1OCC[N@@H+](CC[C@@H](O)c2ccccc2)[C@H]1C ZINC000286411691 387329942 /nfs/dbraw/zinc/32/99/42/387329942.db2.gz LVYAUAARIZQSQA-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1OCCN(CC[C@@H](O)c2ccccc2)[C@H]1C ZINC000286411691 387329948 /nfs/dbraw/zinc/32/99/48/387329948.db2.gz LVYAUAARIZQSQA-KCQAQPDRSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423588728 387382962 /nfs/dbraw/zinc/38/29/62/387382962.db2.gz GZLZFZUXXRGTHP-LPWJVIDDSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nc([C@H](C)Nc2nc3ccccc3o2)n[nH]1 ZINC000286636125 387335138 /nfs/dbraw/zinc/33/51/38/387335138.db2.gz VNQFPWVJNMTEDH-ZETCQYMHSA-N 0 1 243.270 2.427 20 0 BEADMN Cc1nc(CN2CCC(C)(C3CC3)CC2)n[nH]1 ZINC000336515047 387339346 /nfs/dbraw/zinc/33/93/46/387339346.db2.gz ORXREESJBLSPDB-UHFFFAOYSA-N 0 1 234.347 2.125 20 0 BEADMN Cc1ccnc(NCCC2(O)CCC2)c1 ZINC000286726600 387339282 /nfs/dbraw/zinc/33/92/82/387339282.db2.gz MDZMQOAMCYRBKK-UHFFFAOYSA-N 0 1 206.289 2.107 20 0 BEADMN CC(C)CCCN1CC[S@](=O)C[C@H](C)C1 ZINC000373036573 387342654 /nfs/dbraw/zinc/34/26/54/387342654.db2.gz RWMYPILXFAUSRE-DOMZBBRYSA-N 0 1 231.405 2.123 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@H](C)[C@@H](C)CC ZINC000423518718 387353287 /nfs/dbraw/zinc/35/32/87/387353287.db2.gz PGROSUIYQUUABR-YNEHKIRRSA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000352668308 387429538 /nfs/dbraw/zinc/42/95/38/387429538.db2.gz RADLMGUKMUMJAX-QLFBSQMISA-N 0 1 249.354 2.219 20 0 BEADMN CO[C@H](C)CCN[C@@H](C)c1cscn1 ZINC000271178327 387439113 /nfs/dbraw/zinc/43/91/13/387439113.db2.gz VJMFDOMASHCEIK-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN CC[C@]1(C)CN(C[C@@H](O)CCC(C)C)CCO1 ZINC000361337026 387441741 /nfs/dbraw/zinc/44/17/41/387441741.db2.gz PLTRJOYHPBJYKC-UONOGXRCSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@@H](C(=O)OC(C)C)N(CC)CC ZINC000354897620 387444516 /nfs/dbraw/zinc/44/45/16/387444516.db2.gz LGXGTOHETAKUSP-JTQLQIEISA-N 0 1 201.310 2.058 20 0 BEADMN COC(=O)[C@H]1CCCN1C[C@H]1CCC(F)(F)C1 ZINC000304181494 387445612 /nfs/dbraw/zinc/44/56/12/387445612.db2.gz MMLJQAPHRIEVCC-VHSXEESVSA-N 0 1 247.285 2.059 20 0 BEADMN C[C@@H]1N(CCc2ccccn2)CCOC1(C)C ZINC000336609298 387451592 /nfs/dbraw/zinc/45/15/92/387451592.db2.gz OONULVLWROUDHT-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)n1cc(CN[C@H]2CCC[C@@H](F)C2)nn1 ZINC000516062554 387454336 /nfs/dbraw/zinc/45/43/36/387454336.db2.gz CGSUHYAYAJYVSM-MNOVXSKESA-N 0 1 240.326 2.229 20 0 BEADMN Cc1cccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)n1 ZINC000516091565 387458105 /nfs/dbraw/zinc/45/81/05/387458105.db2.gz LTZPUQRGTFEARK-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ccncc1CNc1ccc2nn[nH]c2c1 ZINC000354510581 387388208 /nfs/dbraw/zinc/38/82/08/387388208.db2.gz VMUSQRLZGQGFHD-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1ccncc1CNc1ccc2n[nH]nc2c1 ZINC000354510581 387388211 /nfs/dbraw/zinc/38/82/11/387388211.db2.gz VMUSQRLZGQGFHD-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N(C)CC1CCC1 ZINC000082776972 387388545 /nfs/dbraw/zinc/38/85/45/387388545.db2.gz KAVRFNYEBRNJDF-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000082777124 387388581 /nfs/dbraw/zinc/38/85/81/387388581.db2.gz IWOAFXNTQJOZLI-SNVBAGLBSA-N 0 1 215.337 2.304 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)[C@H]1C ZINC000336562162 387388621 /nfs/dbraw/zinc/38/86/21/387388621.db2.gz DLBOQUVEWFTGHD-BDAKNGLRSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H](Cn1cccn1)Nc1cc2c(cn1)CCC2 ZINC000354540894 387391743 /nfs/dbraw/zinc/39/17/43/387391743.db2.gz NWIJBMATULCIIA-NSHDSACASA-N 0 1 242.326 2.267 20 0 BEADMN Cc1cc(C)nc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000515621846 387402335 /nfs/dbraw/zinc/40/23/35/387402335.db2.gz GHAGAWFPYJMNGV-LLVKDONJSA-N 0 1 243.314 2.306 20 0 BEADMN COC[C@H]1CC[N@H+]1Cc1ccc2cnccc2c1 ZINC000646235268 387404711 /nfs/dbraw/zinc/40/47/11/387404711.db2.gz GLSVAVXJEGHAND-OAHLLOKOSA-N 0 1 242.322 2.456 20 0 BEADMN C[N@@H+](CCCc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000572413793 387410451 /nfs/dbraw/zinc/41/04/51/387410451.db2.gz UTZJIQMCFKVNLP-CQSZACIVSA-N 0 1 247.338 2.414 20 0 BEADMN Cc1ccc(SCc2c[nH]nn2)cc1 ZINC000336592586 387418042 /nfs/dbraw/zinc/41/80/42/387418042.db2.gz PRAJXVHTBIIIOE-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN Cc1ncc(C(=O)N2CCC[C@H]3CCC[C@@H]32)[nH]1 ZINC000266448448 387496843 /nfs/dbraw/zinc/49/68/43/387496843.db2.gz CFGDPVLSESVVFW-PWSUYJOCSA-N 0 1 233.315 2.123 20 0 BEADMN c1snnc1CN[C@@H](C1CC1)C1CCC1 ZINC000324665302 387498768 /nfs/dbraw/zinc/49/87/68/387498768.db2.gz MGYYNOWWJBJYCB-LLVKDONJSA-N 0 1 223.345 2.206 20 0 BEADMN CCc1nc(C)c(CN[C@H]2COC(C)(C)C2)o1 ZINC000396842395 387501515 /nfs/dbraw/zinc/50/15/15/387501515.db2.gz IJIMHIAAORDGBT-SNVBAGLBSA-N 0 1 238.331 2.203 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC000421919366 387502935 /nfs/dbraw/zinc/50/29/35/387502935.db2.gz QJJJHHKZNNNSIA-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCOCC[C@H](O)CN1Cc2ccc(C)cc2C1 ZINC000361601020 387506990 /nfs/dbraw/zinc/50/69/90/387506990.db2.gz IEBBFEUXDORTIX-HNNXBMFYSA-N 0 1 249.354 2.098 20 0 BEADMN C[N@@H+](Cc1ccccc1F)C(C)(C)C(=O)[O-] ZINC000042436932 387508632 /nfs/dbraw/zinc/50/86/32/387508632.db2.gz HWRZNNLGJYMFKO-UHFFFAOYSA-N 0 1 225.263 2.121 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC000516481901 387514641 /nfs/dbraw/zinc/51/46/41/387514641.db2.gz UTECTERPAGJSRQ-AOOOYVTPSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@]1(O)CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000361640176 387515239 /nfs/dbraw/zinc/51/52/39/387515239.db2.gz SIMYRMFVCUNVTP-CQSZACIVSA-N 0 1 248.301 2.264 20 0 BEADMN Cc1ccoc1CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000355359899 387526685 /nfs/dbraw/zinc/52/66/85/387526685.db2.gz DJYWISKXQFCYNF-ZDUSSCGKSA-N 0 1 236.359 2.360 20 0 BEADMN CC1(C)CC[C@@H](Sc2nc(N)cc(N)n2)C1 ZINC000424107551 387529403 /nfs/dbraw/zinc/52/94/03/387529403.db2.gz ZCEDPHSBXIYEKT-SSDOTTSWSA-N 0 1 238.360 2.142 20 0 BEADMN CCCCCN1CCO[C@@H](COCC2CC2)C1 ZINC000361753503 387531320 /nfs/dbraw/zinc/53/13/20/387531320.db2.gz JVERUPNHIUCRCD-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1nsc(NC[C@H](C)CC(F)(F)F)n1 ZINC000397000228 387531668 /nfs/dbraw/zinc/53/16/68/387531668.db2.gz JTJAABMJDIOPCI-RXMQYKEDSA-N 0 1 239.266 2.269 20 0 BEADMN CO[C@H](C)[C@H](C)NCc1nccn1CC(C)C ZINC000361765956 387532069 /nfs/dbraw/zinc/53/20/69/387532069.db2.gz MDWFOJBVVBWFHD-NWDGAFQWSA-N 0 1 239.363 2.052 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cnc(C)cc1C ZINC000397089266 387536802 /nfs/dbraw/zinc/53/68/02/387536802.db2.gz JNCOJVLHOCBQGM-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000355018535 387465690 /nfs/dbraw/zinc/46/56/90/387465690.db2.gz XQVPRCQBNJNKOA-RITPCOANSA-N 0 1 247.220 2.413 20 0 BEADMN Cc1nc([C@H](C)NCCC2(CO)CC2)cs1 ZINC000395823586 387470292 /nfs/dbraw/zinc/47/02/92/387470292.db2.gz SEXNQMNNUNCRIT-VIFPVBQESA-N 0 1 240.372 2.265 20 0 BEADMN CO[C@@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC000374676739 387480285 /nfs/dbraw/zinc/48/02/85/387480285.db2.gz GMRJNXMJTUGVKB-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN CO[C@@H]1CCCN(Cc2nccs2)CC1 ZINC000374676739 387480291 /nfs/dbraw/zinc/48/02/91/387480291.db2.gz GMRJNXMJTUGVKB-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN Cc1cn2c(n1)CN(CCC(C)(C)C)CC2 ZINC000374709849 387485081 /nfs/dbraw/zinc/48/50/81/387485081.db2.gz LCXZTUAQDDCHBR-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN CC[C@@H](C)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000421912870 387487595 /nfs/dbraw/zinc/48/75/95/387487595.db2.gz KLJQYASLKXIQTO-SNVBAGLBSA-N 0 1 245.326 2.268 20 0 BEADMN CSc1cc(C[NH2+]Cc2n[nH]cc2C)ccn1 ZINC000352793435 387488295 /nfs/dbraw/zinc/48/82/95/387488295.db2.gz DXYFNFNRCZFVRA-UHFFFAOYSA-N 0 1 248.355 2.125 20 0 BEADMN Cc1nnc(CN[C@@H](C)Cc2ccoc2)s1 ZINC000648509837 387490755 /nfs/dbraw/zinc/49/07/55/387490755.db2.gz GASXHDLVQIFMCC-QMMMGPOBSA-N 0 1 237.328 2.160 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@H](C)c1nccs1 ZINC000290030560 387581694 /nfs/dbraw/zinc/58/16/94/387581694.db2.gz CUUYTYUKGPYOGO-HLTSFMKQSA-N 0 1 214.334 2.217 20 0 BEADMN CCCC(C)(C)CC(=O)N[C@H](C)c1nnc[nH]1 ZINC000426688790 387586489 /nfs/dbraw/zinc/58/64/89/387586489.db2.gz SETTZSJXOUHLAL-SECBINFHSA-N 0 1 238.335 2.198 20 0 BEADMN CO[C@H](C)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293303917 387587026 /nfs/dbraw/zinc/58/70/26/387587026.db2.gz PTMHMWGNAHCVCW-MRVPVSSYSA-N 0 1 229.707 2.170 20 0 BEADMN Cc1n[nH]cc1CN[C@H](C)c1cncs1 ZINC000161762576 387592193 /nfs/dbraw/zinc/59/21/93/387592193.db2.gz DURNBMZNEMUBEU-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN CN(CC1CCC1)C(=O)c1ccc(F)cc1O ZINC000123764331 387593162 /nfs/dbraw/zinc/59/31/62/387593162.db2.gz QQBGQSXXTLUUDF-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000375922325 387594034 /nfs/dbraw/zinc/59/40/34/387594034.db2.gz MQAWMROHEQQQSQ-SKDRFNHKSA-N 0 1 247.342 2.080 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000375922324 387595195 /nfs/dbraw/zinc/59/51/95/387595195.db2.gz MQAWMROHEQQQSQ-JOYOIKCWSA-N 0 1 247.342 2.080 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@@]2(C)CC2(F)F)n1 ZINC000422551126 387599246 /nfs/dbraw/zinc/59/92/46/387599246.db2.gz MSWGAVWTXHDZPQ-GMSGAONNSA-N 0 1 245.273 2.412 20 0 BEADMN COc1cccc(CN2CC(C)=C[C@H](C)C2)n1 ZINC000430264714 387602719 /nfs/dbraw/zinc/60/27/19/387602719.db2.gz SJCBFUNDQVBHEJ-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN CC[C@@H](C)CNC(=O)[C@@H](N)c1ccccc1C ZINC000422628364 387608602 /nfs/dbraw/zinc/60/86/02/387608602.db2.gz ALFFWXNZLHCNSU-MFKMUULPSA-N 0 1 234.343 2.157 20 0 BEADMN CC(C)(SCc1nn[nH]n1)c1ccccc1 ZINC000362405421 387609034 /nfs/dbraw/zinc/60/90/34/387609034.db2.gz WYZPJYDSZPVKMP-UHFFFAOYSA-N 0 1 234.328 2.368 20 0 BEADMN CCCCN(CCOC)Cc1ccnn1CC ZINC000124416751 387615990 /nfs/dbraw/zinc/61/59/90/387615990.db2.gz DLDDGQDHUBCMTO-UHFFFAOYSA-N 0 1 239.363 2.152 20 0 BEADMN CCc1nc(NC(=O)c2ccc(CC)cc2)n[nH]1 ZINC000122915807 387617438 /nfs/dbraw/zinc/61/74/38/387617438.db2.gz FQJZXJJPUKGPLH-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(CC)cc2)n1 ZINC000122915807 387617441 /nfs/dbraw/zinc/61/74/41/387617441.db2.gz FQJZXJJPUKGPLH-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(C)c(F)c1)N(C)C ZINC000124462517 387618887 /nfs/dbraw/zinc/61/88/87/387618887.db2.gz YLYKZMDRRUJIIB-LBPRGKRZSA-N 0 1 238.306 2.413 20 0 BEADMN Cc1csc(CN2[C@H](C)CCC[C@@H]2CO)n1 ZINC000305633181 387619925 /nfs/dbraw/zinc/61/99/25/387619925.db2.gz NLNSZWBRSMJFFQ-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN CC[C@H]1CCCC[C@H]1C(=O)NCc1cnc[nH]1 ZINC000356158960 387623085 /nfs/dbraw/zinc/62/30/85/387623085.db2.gz WTRGXOVZIQTCJK-CMPLNLGQSA-N 0 1 235.331 2.242 20 0 BEADMN c1nc2c(s1)CN(CCc1cccnc1)CC2 ZINC000361852586 387544891 /nfs/dbraw/zinc/54/48/91/387544891.db2.gz VSKXCORBKDVLBN-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCO2)cn1 ZINC000122529274 387549420 /nfs/dbraw/zinc/54/94/20/387549420.db2.gz NHTUCYFDDBPMBT-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CC[N@H+](CC(=O)OC)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356198774 387627089 /nfs/dbraw/zinc/62/70/89/387627089.db2.gz YSLYJGHBZPPDSZ-WCQYABFASA-N 0 1 239.359 2.474 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356198774 387627092 /nfs/dbraw/zinc/62/70/92/387627092.db2.gz YSLYJGHBZPPDSZ-WCQYABFASA-N 0 1 239.359 2.474 20 0 BEADMN CCc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC000355581897 387554046 /nfs/dbraw/zinc/55/40/46/387554046.db2.gz JDJWDHHCEKNNCS-LLVKDONJSA-N 0 1 239.746 2.469 20 0 BEADMN CCCc1nc(C)c(CN[C@@H](C)[C@@H](C)OC)o1 ZINC000426344824 387556944 /nfs/dbraw/zinc/55/69/44/387556944.db2.gz VOIKVGUCPLGCBE-GXSJLCMTSA-N 0 1 240.347 2.449 20 0 BEADMN COC(=O)c1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901726 387558381 /nfs/dbraw/zinc/55/83/81/387558381.db2.gz XYCXNNNFZQAORG-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccoc1 ZINC000376396996 387627579 /nfs/dbraw/zinc/62/75/79/387627579.db2.gz JEZQHUUDDGBTQN-CYZMBNFOSA-N 0 1 248.326 2.084 20 0 BEADMN CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC000355805350 387578337 /nfs/dbraw/zinc/57/83/37/387578337.db2.gz OETWHCWDFCDRGC-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)N(C)[C@@H]1C=CCCC1 ZINC000362582471 387634773 /nfs/dbraw/zinc/63/47/73/387634773.db2.gz YVKUTEHFXDGHDW-VXGBXAGGSA-N 0 1 238.375 2.330 20 0 BEADMN C[C@@]1(c2ccccc2)CC[N@@H+](CCC(=O)[O-])C1 ZINC000430682954 387638657 /nfs/dbraw/zinc/63/86/57/387638657.db2.gz YNLNCRPIVDWRJB-CQSZACIVSA-N 0 1 233.311 2.125 20 0 BEADMN c1ncc(CN2CCC(c3cn[nH]c3)CC2)s1 ZINC000362618843 387642033 /nfs/dbraw/zinc/64/20/33/387642033.db2.gz BAGDMSOPQQWTDO-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1ncn(C)n1 ZINC000430734227 387646226 /nfs/dbraw/zinc/64/62/26/387646226.db2.gz UYCBKQHWVBDEEJ-QJPTWQEYSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@H]1CCN(Cc2nccn2CC)C1 ZINC000125159783 387647155 /nfs/dbraw/zinc/64/71/55/387647155.db2.gz KSHLBOCTMSFFPE-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN CCCCN(CCCO)Cc1nc(C)c(C)o1 ZINC000305790358 387652972 /nfs/dbraw/zinc/65/29/72/387652972.db2.gz ZWWQKCJIIZJXRD-UHFFFAOYSA-N 0 1 240.347 2.276 20 0 BEADMN COC(=O)c1ccc(CN2CC(C)=C[C@@H](C)C2)[nH]1 ZINC000430873314 387656365 /nfs/dbraw/zinc/65/63/65/387656365.db2.gz RFMUGVJSRKWSKJ-SNVBAGLBSA-N 0 1 248.326 2.199 20 0 BEADMN CCN(CC(=O)N(C)C1CC1)Cc1ccccc1 ZINC000125670466 387663185 /nfs/dbraw/zinc/66/31/85/387663185.db2.gz OKJYBRMRRYGAQY-UHFFFAOYSA-N 0 1 246.354 2.129 20 0 BEADMN CC[C@H]1CCN([C@@H](C)c2nnc(C)o2)C1 ZINC000125680481 387664339 /nfs/dbraw/zinc/66/43/39/387664339.db2.gz OXBBLNJLACMUHV-WPRPVWTQSA-N 0 1 209.293 2.171 20 0 BEADMN CC(C)COCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000376737641 387667547 /nfs/dbraw/zinc/66/75/47/387667547.db2.gz BDVCTRSGMUXHCH-JSGCOSHPSA-N 0 1 241.375 2.158 20 0 BEADMN CC(C)COCCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000376737641 387667551 /nfs/dbraw/zinc/66/75/51/387667551.db2.gz BDVCTRSGMUXHCH-JSGCOSHPSA-N 0 1 241.375 2.158 20 0 BEADMN FC(F)[C@H]1C[C@@H]1NCc1ccncc1Cl ZINC000527708342 387668295 /nfs/dbraw/zinc/66/82/95/387668295.db2.gz LHLYAUKIDMVQIP-CBAPKCEASA-N 0 1 232.661 2.478 20 0 BEADMN Cc1cc(CNCc2ccnc(C)c2)ccn1 ZINC000527711415 387670015 /nfs/dbraw/zinc/67/00/15/387670015.db2.gz DWOXBZLEXKSFBW-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1noc([C@H](C)NCCc2ccccc2)n1 ZINC000356533918 387671150 /nfs/dbraw/zinc/67/11/50/387671150.db2.gz XLOGEIPLGBGXEV-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN CC[C@H](CO)Nc1ccnc(C)c1Cl ZINC000306207874 387678705 /nfs/dbraw/zinc/67/87/05/387678705.db2.gz RESWSFNAMHERFG-MRVPVSSYSA-N 0 1 214.696 2.226 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000440762332 387685664 /nfs/dbraw/zinc/68/56/64/387685664.db2.gz HNBHJSLTQWDQHQ-MNOVXSKESA-N 0 1 245.338 2.398 20 0 BEADMN CC[C@H](F)CN1CC[C@@H](OCC(C)C)C1 ZINC000440766490 387687221 /nfs/dbraw/zinc/68/72/21/387687221.db2.gz RIXMBDWZUYXVNS-NWDGAFQWSA-N 0 1 217.328 2.481 20 0 BEADMN CC[C@@H](F)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000440762330 387687573 /nfs/dbraw/zinc/68/75/73/387687573.db2.gz HNBHJSLTQWDQHQ-GHMZBOCLSA-N 0 1 245.338 2.398 20 0 BEADMN c1cc(CN2CC[C@H](Nc3ccccc3)C2)on1 ZINC000363071514 387689006 /nfs/dbraw/zinc/68/90/06/387689006.db2.gz PMVWYUWNIMQFIB-ZDUSSCGKSA-N 0 1 243.310 2.361 20 0 BEADMN Cc1cc(F)c(CN[C@H](C)CCO)c(F)c1 ZINC000424139835 387690173 /nfs/dbraw/zinc/69/01/73/387690173.db2.gz FODGBFIJOCNKBA-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN COc1ncccc1CN1C[C@H]2CCCC[C@H]21 ZINC000377716985 387743637 /nfs/dbraw/zinc/74/36/37/387743637.db2.gz HKAGXOYJQONGQK-DGCLKSJQSA-N 0 1 232.327 2.465 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ncccc1F ZINC000527827512 387745646 /nfs/dbraw/zinc/74/56/46/387745646.db2.gz DPNPECNXUMFYTH-KLBPJQLPSA-N 0 1 238.306 2.437 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H]1C)c1ncccc1F ZINC000527828198 387748314 /nfs/dbraw/zinc/74/83/14/387748314.db2.gz PJXLZUVOVAEXBQ-ATZCPNFKSA-N 0 1 224.279 2.049 20 0 BEADMN C[C@@H](F)CCNC(=O)c1n[nH]c2ccccc21 ZINC000356672628 387697019 /nfs/dbraw/zinc/69/70/19/387697019.db2.gz MQXDDIWOHOQNAB-MRVPVSSYSA-N 0 1 235.262 2.041 20 0 BEADMN Cc1nnc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)o1 ZINC000452042239 387711301 /nfs/dbraw/zinc/71/13/01/387711301.db2.gz LPXNZDHSNHYKBW-GFQSEFKGSA-N 0 1 247.342 2.246 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1cncn1C(C)C ZINC000527783525 387713094 /nfs/dbraw/zinc/71/30/94/387713094.db2.gz YIVLNXVAANPYEH-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN Cn1ncc(CN2CCC3(CCCCC3)CC2)n1 ZINC000377877691 387755413 /nfs/dbraw/zinc/75/54/13/387755413.db2.gz FMMJECXROCPLKY-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H]1C1CC1 ZINC000377533002 387721345 /nfs/dbraw/zinc/72/13/45/387721345.db2.gz DKXPTPXZSCXJOP-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN CCc1nocc1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527800770 387721481 /nfs/dbraw/zinc/72/14/81/387721481.db2.gz FXOXPHLICVWFPR-OLZOCXBDSA-N 0 1 238.331 2.283 20 0 BEADMN Cc1nc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cs1 ZINC000527805650 387728182 /nfs/dbraw/zinc/72/81/82/387728182.db2.gz VIEBQYJZIVMALX-PEFMBERDSA-N 0 1 240.372 2.353 20 0 BEADMN COC[C@H]1CCCN(Cc2ncc(C)o2)CC1 ZINC000452077120 387728476 /nfs/dbraw/zinc/72/84/76/387728476.db2.gz FPNKMJYAIBXWRR-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CCCCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356869900 387735345 /nfs/dbraw/zinc/73/53/45/387735345.db2.gz IHEBERPFEIKQOA-NEPJUHHUSA-N 0 1 226.364 2.118 20 0 BEADMN CCC[C@@H](CN[C@H]1CCn2ccnc21)OCC ZINC000527930802 387794988 /nfs/dbraw/zinc/79/49/88/387794988.db2.gz LHFKBKCXVBXQCI-RYUDHWBXSA-N 0 1 237.347 2.123 20 0 BEADMN Cc1cccc(NCCCOC(F)F)n1 ZINC000193614823 387797497 /nfs/dbraw/zinc/79/74/97/387797497.db2.gz VCHJIAKQONEOMQ-UHFFFAOYSA-N 0 1 216.231 2.431 20 0 BEADMN Cc1n[nH]cc1[C@H](C)NCc1cccnc1C ZINC000527986324 387802349 /nfs/dbraw/zinc/80/23/49/387802349.db2.gz KPIHXNZBYYSGJM-JTQLQIEISA-N 0 1 230.315 2.272 20 0 BEADMN c1cnc(CN2CCc3ccccc3CC2)nc1 ZINC000564023192 387802460 /nfs/dbraw/zinc/80/24/60/387802460.db2.gz WHLMNVLSQKHMQN-UHFFFAOYSA-N 0 1 239.322 2.077 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](CC)c1nccn1C ZINC000527975337 387813343 /nfs/dbraw/zinc/81/33/43/387813343.db2.gz VGGJDAPLVBOXFE-WZRBSPASSA-N 0 1 237.347 2.028 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C(C)C)CC1 ZINC000448672140 387807449 /nfs/dbraw/zinc/80/74/49/387807449.db2.gz ZVFWQRWULFLUND-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Fc1ccccc1CCSc1cn[nH]n1 ZINC000432732282 387810585 /nfs/dbraw/zinc/81/05/85/387810585.db2.gz TYTSMAQJRHRGDR-UHFFFAOYSA-N 0 1 223.276 2.279 20 0 BEADMN CCC(C)(C)CCN1CCOC[C@]12CCOC2 ZINC000441388152 387757210 /nfs/dbraw/zinc/75/72/10/387757210.db2.gz RMJQLWBHGHAZQN-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@H]2CCOC2)o1 ZINC000356978292 387760513 /nfs/dbraw/zinc/76/05/13/387760513.db2.gz DDXZHUGEGTYUGA-WDEREUQCSA-N 0 1 224.304 2.012 20 0 BEADMN C[C@@H](CO)N(C)Cc1cc(-c2ccccc2)no1 ZINC000135506205 387819998 /nfs/dbraw/zinc/81/99/98/387819998.db2.gz UCGUIYHFKFYMQJ-NSHDSACASA-N 0 1 246.310 2.154 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CC1(C)CCC1 ZINC000432790461 387820466 /nfs/dbraw/zinc/82/04/66/387820466.db2.gz WYDIDBAEWPHNHG-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccncn1 ZINC000528006102 387820575 /nfs/dbraw/zinc/82/05/75/387820575.db2.gz MZCKAFPXUONYKJ-RTXFEEFZSA-N 0 1 235.331 2.083 20 0 BEADMN CC(C)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000564093369 387826368 /nfs/dbraw/zinc/82/63/68/387826368.db2.gz QEPCPLCOHNCYAQ-ZIAGYGMSSA-N 0 1 247.338 2.443 20 0 BEADMN CCCCN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000041452582 387829088 /nfs/dbraw/zinc/82/90/88/387829088.db2.gz NQTKCFAXDRMVJN-UHFFFAOYSA-N 0 1 221.304 2.159 20 0 BEADMN CCC[C@@H](C)NCc1n[nH]cc1Br ZINC000379418833 387829483 /nfs/dbraw/zinc/82/94/83/387829483.db2.gz WVDQTVSLWJIVAL-SSDOTTSWSA-N 0 1 246.152 2.450 20 0 BEADMN c1nc2c(ncnc2NCC[C@@H]2CC=CCC2)[nH]1 ZINC000528183575 387873240 /nfs/dbraw/zinc/87/32/40/387873240.db2.gz QCOREMFGBTWROP-SNVBAGLBSA-N 0 1 243.314 2.463 20 0 BEADMN COCC[C@@H]1CCCC[N@@H+](Cc2cocn2)C1 ZINC000432920072 387841348 /nfs/dbraw/zinc/84/13/48/387841348.db2.gz WVGMDQYHAATVOE-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN COCC[C@@H]1CCCCN(Cc2cocn2)C1 ZINC000432920072 387841354 /nfs/dbraw/zinc/84/13/54/387841354.db2.gz WVGMDQYHAATVOE-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN COCC[N@@H+](Cc1cocn1)[C@@H]1CC[C@H](C)C1 ZINC000432926524 387841629 /nfs/dbraw/zinc/84/16/29/387841629.db2.gz GVFCFMVWDQLDOK-WCQYABFASA-N 0 1 238.331 2.312 20 0 BEADMN COCCN(Cc1cocn1)[C@@H]1CC[C@H](C)C1 ZINC000432926524 387841631 /nfs/dbraw/zinc/84/16/31/387841631.db2.gz GVFCFMVWDQLDOK-WCQYABFASA-N 0 1 238.331 2.312 20 0 BEADMN CC[C@@H](O)CNCc1c(F)cc(C)cc1F ZINC000424173824 387873810 /nfs/dbraw/zinc/87/38/10/387873810.db2.gz ORIYCCSMJLBRHI-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN CC(C)CN(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432929733 387843326 /nfs/dbraw/zinc/84/33/26/387843326.db2.gz SOZJFFCWWWJTGS-UHFFFAOYSA-N 0 1 224.352 2.190 20 0 BEADMN CCCN(CC)Cc1n[nH]c(C(C)(C)C)n1 ZINC000432931193 387843473 /nfs/dbraw/zinc/84/34/73/387843473.db2.gz JMLVRYQBHFOAPM-UHFFFAOYSA-N 0 1 224.352 2.334 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000442879334 387854423 /nfs/dbraw/zinc/85/44/23/387854423.db2.gz AQEOAKMYZNWFIV-JSGCOSHPSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NCc1nc(C)no1 ZINC000070558414 387857689 /nfs/dbraw/zinc/85/76/89/387857689.db2.gz SADBQCYBAOSJCA-GHMZBOCLSA-N 0 1 223.320 2.436 20 0 BEADMN COc1c(O)cccc1CNC1CC(F)(F)C1 ZINC000433055624 387858465 /nfs/dbraw/zinc/85/84/65/387858465.db2.gz YTXMZBZUHJXEPI-UHFFFAOYSA-N 0 1 243.253 2.288 20 0 BEADMN COc1ccnc(CNC2CCC(C)CC2)n1 ZINC000424168984 387859066 /nfs/dbraw/zinc/85/90/66/387859066.db2.gz HDMKZRVKGAGPCM-UHFFFAOYSA-N 0 1 235.331 2.154 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2CC[C@H]2O)o1 ZINC000393181151 387860090 /nfs/dbraw/zinc/86/00/90/387860090.db2.gz BULWAFREOGFNQZ-JTLRNRKASA-N 0 1 221.300 2.016 20 0 BEADMN Cc1n[nH]cc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000235787295 387860441 /nfs/dbraw/zinc/86/04/41/387860441.db2.gz KVJPTYBVOCNWDO-UHFFFAOYSA-N 0 1 245.261 2.346 20 0 BEADMN CC[C@@H](F)CN(C)C[C@H](O)Cc1ccccc1 ZINC000433077840 387861389 /nfs/dbraw/zinc/86/13/89/387861389.db2.gz PUAMHOXQJLQZRE-ZIAGYGMSSA-N 0 1 239.334 2.270 20 0 BEADMN C[C@@H]1COCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000433141468 387868948 /nfs/dbraw/zinc/86/89/48/387868948.db2.gz PEOAVNPWUUOCSQ-KOLCDFICSA-N 0 1 236.315 2.067 20 0 BEADMN COC[C@H](N[C@@H](C)c1ncccc1F)C1CC1 ZINC000528036658 387818681 /nfs/dbraw/zinc/81/86/81/387818681.db2.gz WXBVJGINQAQWHV-CABZTGNLSA-N 0 1 238.306 2.296 20 0 BEADMN C[C@@H](CF)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424181480 387895516 /nfs/dbraw/zinc/89/55/16/387895516.db2.gz RJRZXUYVXFSNKH-ZETCQYMHSA-N 0 1 247.216 2.456 20 0 BEADMN O=C1CCC[C@H]1[C@H]1COCCN1CC1=CCCC1 ZINC000645860267 387879991 /nfs/dbraw/zinc/87/99/91/387879991.db2.gz UABLJJSSJVOYNW-UONOGXRCSA-N 0 1 249.354 2.167 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N(C)CC1=CCCC1 ZINC000645861775 387881402 /nfs/dbraw/zinc/88/14/02/387881402.db2.gz LKDYNAHMCAORSI-NSHDSACASA-N 0 1 238.375 2.332 20 0 BEADMN CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(F)F ZINC000452668011 387885482 /nfs/dbraw/zinc/88/54/82/387885482.db2.gz HYKMGXWAAMNCLN-KXUCPTDWSA-N 0 1 248.317 2.019 20 0 BEADMN COCCCN(C)Cc1cc(F)ccc1F ZINC000194575725 387885844 /nfs/dbraw/zinc/88/58/44/387885844.db2.gz ZROWDBZKWBJSQP-UHFFFAOYSA-N 0 1 229.270 2.433 20 0 BEADMN CC[C@H](CO)NCc1c(F)cc(C)cc1F ZINC000424178754 387889256 /nfs/dbraw/zinc/88/92/56/387889256.db2.gz RZPNJTMNRURYDX-SECBINFHSA-N 0 1 229.270 2.134 20 0 BEADMN CCC[C@]1(COC)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000195199365 387908053 /nfs/dbraw/zinc/90/80/53/387908053.db2.gz UDBUZVBFGIZVEJ-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCCN1CC ZINC000452778983 387917529 /nfs/dbraw/zinc/91/75/29/387917529.db2.gz RZQKGZSNJFZOOU-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000444801024 387931884 /nfs/dbraw/zinc/93/18/84/387931884.db2.gz KRRKOCUPQXSUSB-UHFFFAOYSA-N 0 1 247.404 2.076 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1ccc(C2CC2)cc1 ZINC000459346388 387932826 /nfs/dbraw/zinc/93/28/26/387932826.db2.gz PAWJGNCICWCKGA-UHFFFAOYSA-N 0 1 242.326 2.314 20 0 BEADMN CCC[C@@]1(CO)CCCN1Cc1cc(C)on1 ZINC000444766861 387926087 /nfs/dbraw/zinc/92/60/87/387926087.db2.gz NTFMZVBJTWJPRG-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN NC(=O)[C@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC000459302215 387927127 /nfs/dbraw/zinc/92/71/27/387927127.db2.gz SBOIXKHRLHVEMD-CQSZACIVSA-N 0 1 244.338 2.014 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)[C@H](C)[C@H](C)O1 ZINC000438367279 387928121 /nfs/dbraw/zinc/92/81/21/387928121.db2.gz ZMISKVKBISDQBA-UTUOFQBUSA-N 0 1 222.332 2.023 20 0 BEADMN CC[C@H](COC)NCc1nc2ccccc2n1C ZINC000079736648 387956298 /nfs/dbraw/zinc/95/62/98/387956298.db2.gz MQYDEQXKDTZHKF-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN CC1(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CCC1 ZINC000393749183 387950344 /nfs/dbraw/zinc/95/03/44/387950344.db2.gz APTPMETXCRAEAU-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H](c1nc2ccccc2o1)N1CC[C@@H](CO)C1 ZINC000245552103 387959109 /nfs/dbraw/zinc/95/91/09/387959109.db2.gz QEAYHDWNQSUURL-GHMZBOCLSA-N 0 1 246.310 2.203 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)[C@@H]1C[C@@H]1C ZINC000424310833 387961666 /nfs/dbraw/zinc/96/16/66/387961666.db2.gz TWOPDAVCNBWTDD-AXFHLTTASA-N 0 1 235.331 2.009 20 0 BEADMN Cc1oncc1CN(C)CCc1ccccc1O ZINC000445773184 387965412 /nfs/dbraw/zinc/96/54/12/387965412.db2.gz KSAKEEXRZJQFST-UHFFFAOYSA-N 0 1 246.310 2.363 20 0 BEADMN Cc1cnc(CN2CCC[C@H]2C[C@H](C)O)s1 ZINC000245543648 387957421 /nfs/dbraw/zinc/95/74/21/387957421.db2.gz SUXMBOLCGXBUOY-ONGXEEELSA-N 0 1 240.372 2.187 20 0 BEADMN CCn1nccc1CN1CCS[C@@H](C)[C@H]1C ZINC000245740647 387981116 /nfs/dbraw/zinc/98/11/16/387981116.db2.gz LSTSVQSHYVLZOP-MNOVXSKESA-N 0 1 239.388 2.229 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446074107 387995852 /nfs/dbraw/zinc/99/58/52/387995852.db2.gz QQFXRUUNDQGKJK-RWMBFGLXSA-N 0 1 229.364 2.301 20 0 BEADMN CN(C)c1ccccc1CNCC1(F)CC1 ZINC000309648984 387989603 /nfs/dbraw/zinc/98/96/03/387989603.db2.gz NLGLQCDXCVLKNC-UHFFFAOYSA-N 0 1 222.307 2.344 20 0 BEADMN CC(C)CN(C(=O)CN1[C@@H](C)C[C@@H]1C)C(C)C ZINC000548096961 387991234 /nfs/dbraw/zinc/99/12/34/387991234.db2.gz ACQSERSMTBJRGW-STQMWFEESA-N 0 1 240.391 2.362 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@]2(C)C[C@H]2F)n1 ZINC000424342635 387981910 /nfs/dbraw/zinc/98/19/10/387981910.db2.gz YOOQCYFBJTZXDB-VAOFZXAKSA-N 0 1 227.283 2.115 20 0 BEADMN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000453166019 388001821 /nfs/dbraw/zinc/00/18/21/388001821.db2.gz CNPYBUCVZQRMLX-RVMXOQNASA-N 0 1 249.358 2.436 20 0 BEADMN Cc1ccncc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424416547 388006033 /nfs/dbraw/zinc/00/60/33/388006033.db2.gz KIWHXAGHRHYSFF-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN CCC[C@H](CN[C@H](C)c1nccn1CC)OC ZINC000453244911 388023846 /nfs/dbraw/zinc/02/38/46/388023846.db2.gz HQBVPRXYOZTYTJ-VXGBXAGGSA-N 0 1 239.363 2.369 20 0 BEADMN CC[C@H]1CCN([C@H](C)c2nnc(C)o2)C1 ZINC000246247024 388024575 /nfs/dbraw/zinc/02/45/75/388024575.db2.gz OXBBLNJLACMUHV-SCZZXKLOSA-N 0 1 209.293 2.171 20 0 BEADMN CC(C)c1nnc(CN[C@@H]2CCC2(C)C)[nH]1 ZINC000453279857 388032412 /nfs/dbraw/zinc/03/24/12/388032412.db2.gz FGWMGZCVFGYZNF-SECBINFHSA-N 0 1 222.336 2.206 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@@H](CC)C2)o1 ZINC000446717550 388033727 /nfs/dbraw/zinc/03/37/27/388033727.db2.gz SXMVDDYOCHLYIV-NXEZZACHSA-N 0 1 223.320 2.425 20 0 BEADMN C[C@H](CC(=O)N1CCNCC1)C1CCCCC1 ZINC000082654132 388038019 /nfs/dbraw/zinc/03/80/19/388038019.db2.gz YNKCFFHYIMQJLF-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1n[nH]c(C(=O)NCc2ccccc2F)c1C ZINC000082306554 388027214 /nfs/dbraw/zinc/02/72/14/388027214.db2.gz BZCJBCLVFNJNSK-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN CCN(C)C(=O)CNC1(c2ccccc2C)CC1 ZINC000645979570 388114196 /nfs/dbraw/zinc/11/41/96/388114196.db2.gz VKXQMHBTMJMPNF-UHFFFAOYSA-N 0 1 246.354 2.052 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453344092 388053803 /nfs/dbraw/zinc/05/38/03/388053803.db2.gz GWDRVRGNISAVQY-NSHDSACASA-N 0 1 236.315 2.209 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H](C)C(C)(C)OC ZINC000453359566 388057732 /nfs/dbraw/zinc/05/77/32/388057732.db2.gz QEEBRTIPHAZORU-GHMZBOCLSA-N 0 1 239.363 2.367 20 0 BEADMN CCC(CC)[C@H](O)CNCc1cscn1 ZINC000163962553 388114514 /nfs/dbraw/zinc/11/45/14/388114514.db2.gz FCMLLNNAZTXDHO-LLVKDONJSA-N 0 1 228.361 2.030 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000453415254 388078773 /nfs/dbraw/zinc/07/87/73/388078773.db2.gz MEGDJBLPBDKQGV-LBPRGKRZSA-N 0 1 238.331 2.374 20 0 BEADMN CCc1ccc([C@H](C)N[C@H](CC)C(=O)NC)o1 ZINC000453422824 388080584 /nfs/dbraw/zinc/08/05/84/388080584.db2.gz XJQQLFMDQSENNU-GXSJLCMTSA-N 0 1 238.331 2.017 20 0 BEADMN CC(C)(C)[C@H]1CN(CCc2ccccn2)CCO1 ZINC000447826138 388095551 /nfs/dbraw/zinc/09/55/51/388095551.db2.gz HRCOWIJNLZPCDJ-CQSZACIVSA-N 0 1 248.370 2.371 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCc2ccccn2)CCO1 ZINC000447826137 388095792 /nfs/dbraw/zinc/09/57/92/388095792.db2.gz HRCOWIJNLZPCDJ-AWEZNQCLSA-N 0 1 248.370 2.371 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCOCC2CC2)CCO1 ZINC000447841913 388096242 /nfs/dbraw/zinc/09/62/42/388096242.db2.gz FWOXWBBGVUNDPI-ZDUSSCGKSA-N 0 1 241.375 2.160 20 0 BEADMN CCCN(CCOC)Cc1cncs1 ZINC000447840895 388097010 /nfs/dbraw/zinc/09/70/10/388097010.db2.gz BBJFOGVULGKIGU-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN CC(C)(C)[C@H]1CN(CCOCC2CC2)CCO1 ZINC000447841912 388097054 /nfs/dbraw/zinc/09/70/54/388097054.db2.gz FWOXWBBGVUNDPI-CYBMUJFWSA-N 0 1 241.375 2.160 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CCC[C@H]1OC ZINC000453317803 388044731 /nfs/dbraw/zinc/04/47/31/388044731.db2.gz AUDRBSWGACOYJF-IJLUTSLNSA-N 0 1 237.347 2.121 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)Cc2ccno2)C1(C)C ZINC000533294024 388046192 /nfs/dbraw/zinc/04/61/92/388046192.db2.gz FLBOTOOMDHMOER-NWDGAFQWSA-N 0 1 238.331 2.310 20 0 BEADMN CCc1ccc([C@H](C)NC(COC)COC)o1 ZINC000453326854 388047606 /nfs/dbraw/zinc/04/76/06/388047606.db2.gz DQCLNKJHVHQKQI-JTQLQIEISA-N 0 1 241.331 2.154 20 0 BEADMN COc1nccnc1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000449240895 388160761 /nfs/dbraw/zinc/16/07/61/388160761.db2.gz PRTCAOQCYVIFFG-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN COc1nccnc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000449240895 388160763 /nfs/dbraw/zinc/16/07/63/388160763.db2.gz PRTCAOQCYVIFFG-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000455641199 388165908 /nfs/dbraw/zinc/16/59/08/388165908.db2.gz JZKNMNVIQPVALZ-LLVKDONJSA-N 0 1 239.340 2.230 20 0 BEADMN COc1nccnc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000449281266 388167090 /nfs/dbraw/zinc/16/70/90/388167090.db2.gz CVTFFDGPUBLUHQ-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)[C@H](NCC1=CCCC1)c1nncn1C ZINC000645909541 388173234 /nfs/dbraw/zinc/17/32/34/388173234.db2.gz OQQYKLRGTZPAOC-LBPRGKRZSA-N 0 1 234.347 2.212 20 0 BEADMN CC(C)[C@@H](NCC1=CCCC1)c1nncn1C ZINC000645909540 388173680 /nfs/dbraw/zinc/17/36/80/388173680.db2.gz OQQYKLRGTZPAOC-GFCCVEGCSA-N 0 1 234.347 2.212 20 0 BEADMN COc1nccnc1CN(C)[C@H](C)C1CCC1 ZINC000449330676 388174144 /nfs/dbraw/zinc/17/41/44/388174144.db2.gz MAQYPKPJLPMHMJ-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccnc1CN(C)[C@@H](C)C1CCC1 ZINC000449330675 388174530 /nfs/dbraw/zinc/17/45/30/388174530.db2.gz MAQYPKPJLPMHMJ-JTQLQIEISA-N 0 1 235.331 2.106 20 0 BEADMN C[C@H](CC(C)(C)C)N[C@@H](C(N)=O)c1ccccn1 ZINC000449356890 388180820 /nfs/dbraw/zinc/18/08/20/388180820.db2.gz BEYFOHJVRYCZBX-ZYHUDNBSSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@H](N[C@H](C)[C@H]1CCOC1)C(F)F ZINC000449361052 388181244 /nfs/dbraw/zinc/18/12/44/388181244.db2.gz KKPCKAVPZBHBQT-VGMNWLOBSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@H](N[C@H]1CCO[C@@H](C)C1)C(F)F ZINC000449361079 388181743 /nfs/dbraw/zinc/18/17/43/388181743.db2.gz KMPILOBGHRRPSU-CIUDSAMLSA-N 0 1 207.264 2.187 20 0 BEADMN COCc1cnc(CNC2CC(C)(F)C2)s1 ZINC000449369333 388183956 /nfs/dbraw/zinc/18/39/56/388183956.db2.gz CCKNFCUMZPWUEA-UHFFFAOYSA-N 0 1 244.335 2.270 20 0 BEADMN COC1(CN[C@H]2CCn3ccnc32)CCCCC1 ZINC000449370073 388184333 /nfs/dbraw/zinc/18/43/33/388184333.db2.gz ICOPZRPDHNGJFU-LBPRGKRZSA-N 0 1 249.358 2.267 20 0 BEADMN Cc1ccoc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488580033 388188667 /nfs/dbraw/zinc/18/86/67/388188667.db2.gz KDLOXJWXQGZMMT-ZDUSSCGKSA-N 0 1 236.359 2.360 20 0 BEADMN CN(CCC(C)(C)C)Cc1ccn(C)n1 ZINC000646028696 388128651 /nfs/dbraw/zinc/12/86/51/388128651.db2.gz SVCYYSMDMSABFI-UHFFFAOYSA-N 0 1 209.337 2.288 20 0 BEADMN CCSCCCNCc1cscn1 ZINC000164018110 388130089 /nfs/dbraw/zinc/13/00/89/388130089.db2.gz UMVSZVMOTYAHFK-UHFFFAOYSA-N 0 1 216.375 2.376 20 0 BEADMN CC[N@@H+](CCCO)Cc1ccc(C)cc1OC ZINC000449026539 388131653 /nfs/dbraw/zinc/13/16/53/388131653.db2.gz GERBWYNRLHEPMT-UHFFFAOYSA-N 0 1 237.343 2.208 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nccnc1OC ZINC000449028501 388133074 /nfs/dbraw/zinc/13/30/74/388133074.db2.gz LYPPRUGZFKBQNO-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN CCOC[C@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449038333 388133693 /nfs/dbraw/zinc/13/36/93/388133693.db2.gz SYPQXXXOAVYDNS-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CCOC[C@H]1CCN(Cc2ccncc2F)C1 ZINC000449038333 388133696 /nfs/dbraw/zinc/13/36/96/388133696.db2.gz SYPQXXXOAVYDNS-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN COc1nccc(C[N@H+]2CCCCC[C@@H]2C)n1 ZINC000449037023 388134472 /nfs/dbraw/zinc/13/44/72/388134472.db2.gz WWOOUONLXCLZOZ-NSHDSACASA-N 0 1 235.331 2.250 20 0 BEADMN COc1cc(F)cc(C[N@@H+](C)CC(C)(C)O)c1 ZINC000449036200 388134513 /nfs/dbraw/zinc/13/45/13/388134513.db2.gz RTUGKYHFGGHXDZ-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN COCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449064151 388138017 /nfs/dbraw/zinc/13/80/17/388138017.db2.gz OSIWROLCQGPFBT-VIFPVBQESA-N 0 1 245.244 2.327 20 0 BEADMN CCOC(=O)CN(C[C@@H]1C[C@H]1C)C1CCC1 ZINC000488547042 388186643 /nfs/dbraw/zinc/18/66/43/388186643.db2.gz RTFLXXSFLYCYOH-MNOVXSKESA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@H]1CC2(CN1Cc1ccon1)CCOCC2 ZINC000646096476 388142321 /nfs/dbraw/zinc/14/23/21/388142321.db2.gz HSICJHHVGYTSGS-LLVKDONJSA-N 0 1 236.315 2.066 20 0 BEADMN C[C@H]1CC2(CN1Cc1ccon1)CCOCC2 ZINC000646096477 388142609 /nfs/dbraw/zinc/14/26/09/388142609.db2.gz HSICJHHVGYTSGS-NSHDSACASA-N 0 1 236.315 2.066 20 0 BEADMN CC[C@H](C)[C@](C)(O)CNCc1ncc(C)s1 ZINC000449144349 388148613 /nfs/dbraw/zinc/14/86/13/388148613.db2.gz ZLHQIRXSCULOPB-JOYOIKCWSA-N 0 1 242.388 2.338 20 0 BEADMN CCOC(=O)C1CCC(NC(CF)CF)CC1 ZINC000449377692 388187126 /nfs/dbraw/zinc/18/71/26/388187126.db2.gz BJTOJWBGJNLSDX-UHFFFAOYSA-N 0 1 249.301 2.006 20 0 BEADMN FC1(F)C[C@H]2CN(CC3=CCCC3)CCN2C1 ZINC000645936199 388252818 /nfs/dbraw/zinc/25/28/18/388252818.db2.gz KRMNAIBWGDWDIP-LBPRGKRZSA-N 0 1 242.313 2.122 20 0 BEADMN CCOC1CC(N[C@@H](C)c2nccs2)C1 ZINC000162851078 388253298 /nfs/dbraw/zinc/25/32/98/388253298.db2.gz DEYPGFBDWQXPRM-IDKOKCKLSA-N 0 1 226.345 2.361 20 0 BEADMN Cc1ccc(CCCN2CC[C@H](F)C2)cn1 ZINC000449397201 388194413 /nfs/dbraw/zinc/19/44/13/388194413.db2.gz UNSJOUQBBHRQNH-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)[C@H](C)C(C)C ZINC000456384693 388198703 /nfs/dbraw/zinc/19/87/03/388198703.db2.gz QGZRHAUDEJEXIJ-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CCN(Cc1cccc(C)c1)C1COC1 ZINC000449421830 388200426 /nfs/dbraw/zinc/20/04/26/388200426.db2.gz BVFRYOHRLUSJFQ-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000456523632 388205882 /nfs/dbraw/zinc/20/58/82/388205882.db2.gz FKUUFXNYGCMWSK-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)CC2CCC2)CC1 ZINC000456533738 388206646 /nfs/dbraw/zinc/20/66/46/388206646.db2.gz RMPWUILXJQTGAP-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCCCC[C@H]1CCCN1C(=O)CN(C)C ZINC000489349442 388209380 /nfs/dbraw/zinc/20/93/80/388209380.db2.gz NVZMAQKVLQPUAF-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CC/C=C\CNCc1cc2c(cc1OC)OCO2 ZINC000449452399 388209375 /nfs/dbraw/zinc/20/93/75/388209375.db2.gz FWLNVFQWOOORAC-PLNGDYQASA-N 0 1 249.310 2.480 20 0 BEADMN CC(C)N(C(=O)CN(C)[C@@H]1CC1(C)C)C(C)C ZINC000489411762 388212001 /nfs/dbraw/zinc/21/20/01/388212001.db2.gz LMLHDULEZJBUAT-GFCCVEGCSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)C1CCCC1 ZINC000456651973 388213300 /nfs/dbraw/zinc/21/33/00/388213300.db2.gz FJLYZYYTKDNKLW-CYBMUJFWSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@](C)(CNCc1ccn(C(F)F)n1)OC ZINC000449480185 388215594 /nfs/dbraw/zinc/21/55/94/388215594.db2.gz XQFAVVYPEKMJHY-NSHDSACASA-N 0 1 247.289 2.183 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)cn2)C[C@H]1C ZINC000449494453 388218788 /nfs/dbraw/zinc/21/87/88/388218788.db2.gz NCCLOKYKNGAHLF-BXUZGUMPSA-N 0 1 249.358 2.032 20 0 BEADMN Cn1ccnc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449539556 388226865 /nfs/dbraw/zinc/22/68/65/388226865.db2.gz LULAQFXSLDNLII-GXTWGEPZSA-N 0 1 231.343 2.041 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000449566662 388235309 /nfs/dbraw/zinc/23/53/09/388235309.db2.gz QCUGLACECVLIEZ-FIQHERPVSA-N 0 1 237.347 2.120 20 0 BEADMN CC[C@]1(C)CN(C2CC(OC(C)C)C2)CCO1 ZINC000459446905 388244589 /nfs/dbraw/zinc/24/45/89/388244589.db2.gz PTMQQBPNRUJEMW-JXQTWKCFSA-N 0 1 241.375 2.443 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CCC(F)(F)CC1 ZINC000459446289 388244599 /nfs/dbraw/zinc/24/45/99/388244599.db2.gz PGJUAZMIXRYEQC-VIFPVBQESA-N 0 1 249.301 2.305 20 0 BEADMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccncc2)C12CCC2 ZINC000449633071 388245980 /nfs/dbraw/zinc/24/59/80/388245980.db2.gz OQRFILFRUADKGF-UONOGXRCSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc(C)n1 ZINC000092430890 256584752 /nfs/dbraw/zinc/58/47/52/256584752.db2.gz JLVUWORWTCFBCI-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN C[C@H]1CCC[C@@H]1NCc1nc(C2CC2)no1 ZINC000381454363 388269624 /nfs/dbraw/zinc/26/96/24/388269624.db2.gz HTFBUIPGMVPVOC-WPRPVWTQSA-N 0 1 221.304 2.225 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2CCO[C@@H]2C)o1 ZINC000492314368 388341244 /nfs/dbraw/zinc/34/12/44/388341244.db2.gz SGJHATUDHRQYQX-MNOVXSKESA-N 0 1 238.331 2.203 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc(C2CC2)nn1C ZINC000516567502 388349600 /nfs/dbraw/zinc/34/96/00/388349600.db2.gz IVFAJVAPBFKQNT-OUAUKWLOSA-N 0 1 248.374 2.169 20 0 BEADMN F[C@@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000648721369 388352520 /nfs/dbraw/zinc/35/25/20/388352520.db2.gz LQBYQDWQBXTHKT-SECBINFHSA-N 0 1 219.263 2.107 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cc(C)on1)C1CC1 ZINC000293691880 388359338 /nfs/dbraw/zinc/35/93/38/388359338.db2.gz LGWRVCDNZWFWLT-SKDRFNHKSA-N 0 1 224.304 2.059 20 0 BEADMN COC[C@@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000234901744 388363620 /nfs/dbraw/zinc/36/36/20/388363620.db2.gz BPWUEDABRBNFND-VXNVDRBHSA-N 0 1 249.763 2.059 20 0 BEADMN Cc1ccc(CN(C)C[C@@H](C)O)c(Cl)c1 ZINC000235247568 388366592 /nfs/dbraw/zinc/36/65/92/388366592.db2.gz BKRDUJUUBAZKCB-SNVBAGLBSA-N 0 1 227.735 2.461 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cscn1 ZINC000290212958 388375157 /nfs/dbraw/zinc/37/51/57/388375157.db2.gz QBACFZSHFHMWFA-VGMNWLOBSA-N 0 1 214.334 2.217 20 0 BEADMN CCC[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CCO1 ZINC000519766486 256659467 /nfs/dbraw/zinc/65/94/67/256659467.db2.gz ZHAHVGXIKLIDML-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236854985 388384755 /nfs/dbraw/zinc/38/47/55/388384755.db2.gz XWCJGPITLZYMID-CMPLNLGQSA-N 0 1 213.321 2.362 20 0 BEADMN CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000236889973 388386015 /nfs/dbraw/zinc/38/60/15/388386015.db2.gz OAXVZQZFFDWPNU-NSHDSACASA-N 0 1 221.300 2.024 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000572901747 388387080 /nfs/dbraw/zinc/38/70/80/388387080.db2.gz ZLZWTBUERUGZSI-RKDXNWHRSA-N 0 1 235.274 2.217 20 0 BEADMN CCC[C@H](CNCc1cn2ccccc2n1)OC ZINC000293540548 388389268 /nfs/dbraw/zinc/38/92/68/388389268.db2.gz ANLYWTHUXUGDNP-CYBMUJFWSA-N 0 1 247.342 2.239 20 0 BEADMN CO[C@@H](CN[C@H](C)c1cscn1)C1CC1 ZINC000293715133 388390948 /nfs/dbraw/zinc/39/09/48/388390948.db2.gz NAVUARQYLWQCNR-KCJUWKMLSA-N 0 1 226.345 2.219 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1nccs1)C1CC1 ZINC000293862401 388393022 /nfs/dbraw/zinc/39/30/22/388393022.db2.gz ZAIWRPCXXWPBGX-WPRPVWTQSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1ccnc(NC[C@@H](C)CCCO)c1 ZINC000294980654 388406568 /nfs/dbraw/zinc/40/65/68/388406568.db2.gz PCHRONIBXXTUOL-NSHDSACASA-N 0 1 208.305 2.211 20 0 BEADMN C[C@H](CN[C@H]1CCn2ccnc21)c1nccs1 ZINC000294232973 388396370 /nfs/dbraw/zinc/39/63/70/388396370.db2.gz VOSGMUMZTBBSDF-ZJUUUORDSA-N 0 1 248.355 2.178 20 0 BEADMN CCN(C)C(=O)CN[C@@H](C)c1csc(C)c1 ZINC000294306033 388399503 /nfs/dbraw/zinc/39/95/03/388399503.db2.gz VNLVVBFEYAIBDY-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN Cc1cc(C[N@@H+](CCO)C2CC2)cs1 ZINC000294540492 388401640 /nfs/dbraw/zinc/40/16/40/388401640.db2.gz IOTHAGOZZLAXFQ-UHFFFAOYSA-N 0 1 211.330 2.013 20 0 BEADMN O=C(/C=C\C1CCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000492066712 388333533 /nfs/dbraw/zinc/33/35/33/388333533.db2.gz GVYAGRCDOMIYGH-WBTMPAOCSA-N 0 1 248.370 2.039 20 0 BEADMN O=C(/C=C\C1CCC1)N1CCN2CCCC[C@@H]2C1 ZINC000492066712 388333534 /nfs/dbraw/zinc/33/35/34/388333534.db2.gz GVYAGRCDOMIYGH-WBTMPAOCSA-N 0 1 248.370 2.039 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCN(C)C[C@@H]1C)CC ZINC000492133856 388336003 /nfs/dbraw/zinc/33/60/03/388336003.db2.gz JCWLYYBQLKUHMU-JJIWSXLNSA-N 0 1 236.359 2.061 20 0 BEADMN CCc1nc(NC(=O)C=Cc2ccsc2)n[nH]1 ZINC000492151831 388336721 /nfs/dbraw/zinc/33/67/21/388336721.db2.gz BIUNWTCQHUYRBQ-ARJAWSKDSA-N 0 1 248.311 2.081 20 0 BEADMN CCc1n[nH]c(NC(=O)C=Cc2ccsc2)n1 ZINC000492151831 388336722 /nfs/dbraw/zinc/33/67/22/388336722.db2.gz BIUNWTCQHUYRBQ-ARJAWSKDSA-N 0 1 248.311 2.081 20 0 BEADMN CN1CCN(C(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC000492280388 388340253 /nfs/dbraw/zinc/34/02/53/388340253.db2.gz WNFWGCPRCDIRIP-FPLPWBNLSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)[nH]n1 ZINC000246164914 388439659 /nfs/dbraw/zinc/43/96/59/388439659.db2.gz JYAKBGZREMREHQ-GIPNMCIBSA-N 0 1 249.358 2.202 20 0 BEADMN Fc1ccc(OCCSc2cn[nH]n2)cc1 ZINC000177368679 388481946 /nfs/dbraw/zinc/48/19/46/388481946.db2.gz FOVMMTFOBXGLEL-UHFFFAOYSA-N 0 1 239.275 2.115 20 0 BEADMN C[N@@H+](Cc1cccc(O)c1)[C@@H]1CCCOC1 ZINC000335869952 388455123 /nfs/dbraw/zinc/45/51/23/388455123.db2.gz GJBJNYZHVOAOLS-GFCCVEGCSA-N 0 1 221.300 2.003 20 0 BEADMN CC[C@@H](NCc1nc(C)no1)[C@@H]1CC1(C)C ZINC000397586784 388481083 /nfs/dbraw/zinc/48/10/83/388481083.db2.gz ISANESMTRHTEFO-VHSXEESVSA-N 0 1 223.320 2.292 20 0 BEADMN CS[C@@H]1CC[C@@H]1NCc1nc(C)cs1 ZINC000336671802 388461564 /nfs/dbraw/zinc/46/15/64/388461564.db2.gz ZGUSHNCWUJLQMP-DTWKUNHWSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)n[nH]1 ZINC000294073500 177746554 /nfs/dbraw/zinc/74/65/54/177746554.db2.gz ANBUHBOGRLQHMX-CMPLNLGQSA-N 0 1 247.342 2.369 20 0 BEADMN Cc1cc(C)c(CNCc2ccccn2)cn1 ZINC000397478913 388473367 /nfs/dbraw/zinc/47/33/67/388473367.db2.gz CGILWAKYTIRWOC-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN C[C@@H](N[C@H]1CCOC1(C)C)c1nccs1 ZINC000296364066 388422905 /nfs/dbraw/zinc/42/29/05/388422905.db2.gz IXEULYKIZRRDTC-BDAKNGLRSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](CC(C)(C)O)N[C@@H](C)c1cscn1 ZINC000296549587 388424015 /nfs/dbraw/zinc/42/40/15/388424015.db2.gz RKXYOKLNIGTXND-BDAKNGLRSA-N 0 1 228.361 2.343 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000166419313 388426154 /nfs/dbraw/zinc/42/61/54/388426154.db2.gz DPZOLVROMGHXRN-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN CC[C@H](CC(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000308094767 388431597 /nfs/dbraw/zinc/43/15/97/388431597.db2.gz YHARZRCHFZPZLU-SECBINFHSA-N 0 1 224.308 2.124 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CCOC2(C)C)n1 ZINC000336892184 388436997 /nfs/dbraw/zinc/43/69/97/388436997.db2.gz JJHOCPNVALWUEU-GFCCVEGCSA-N 0 1 237.347 2.121 20 0 BEADMN CCCn1ncnc1CN1CC[C@@H](C(C)C)C1 ZINC000517070760 388537438 /nfs/dbraw/zinc/53/74/38/388537438.db2.gz WJSAQZNIHUWMEX-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN COC(=O)c1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000548426281 388537459 /nfs/dbraw/zinc/53/74/59/388537459.db2.gz JVYDBLGYCOUVNT-PHIMTYICSA-N 0 1 233.311 2.456 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cc(CO)ccc1F ZINC000528513248 388537577 /nfs/dbraw/zinc/53/75/77/388537577.db2.gz RCUUCLBDUBPQTC-VHSXEESVSA-N 0 1 223.291 2.158 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000517172214 388540344 /nfs/dbraw/zinc/54/03/44/388540344.db2.gz UZFMMTOHNZADPT-MNOVXSKESA-N 0 1 237.347 2.093 20 0 BEADMN C[C@H](O)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000649287191 388543092 /nfs/dbraw/zinc/54/30/92/388543092.db2.gz MBTKNCVXDWKZSA-DZGCQCFKSA-N 0 1 249.354 2.221 20 0 BEADMN C/C(Cl)=C/CN1CCC[C@@H](n2ccnn2)C1 ZINC000528525911 388543461 /nfs/dbraw/zinc/54/34/61/388543461.db2.gz MJRNKSFBUPVMAC-NEOSZVFXSA-N 0 1 240.738 2.058 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)OC(C)(C)C ZINC000136757092 388547984 /nfs/dbraw/zinc/54/79/84/388547984.db2.gz AYCHJAWUOBURIF-SNVBAGLBSA-N 0 1 215.337 2.449 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1ncccc1F ZINC000378672231 388482906 /nfs/dbraw/zinc/48/29/06/388482906.db2.gz LDCUOIJVZWYIOA-SECBINFHSA-N 0 1 226.295 2.124 20 0 BEADMN COCCC1CCN(Cc2cc(C)no2)CC1 ZINC000528573207 388548351 /nfs/dbraw/zinc/54/83/51/388548351.db2.gz JZKCQQZPUFBCEU-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN CCCC[C@@H](C(=O)OC)N(C)CCC1CC1 ZINC000135300899 388490593 /nfs/dbraw/zinc/49/05/93/388490593.db2.gz LMZZFIJPXYDFCU-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@@]1(C)CN(CCc2ccccn2)CCO1 ZINC000135601441 388502422 /nfs/dbraw/zinc/50/24/22/388502422.db2.gz RFBRBNRYMDLWLY-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN C[C@@H](NCC(C)(F)F)[C@@H]1CCCOC1 ZINC000378791835 388505209 /nfs/dbraw/zinc/50/52/09/388505209.db2.gz NFFQIXMFXRGUMA-RKDXNWHRSA-N 0 1 207.264 2.046 20 0 BEADMN C[C@@H](NCC(C)(F)F)[C@H]1CCCOC1 ZINC000378791832 388505507 /nfs/dbraw/zinc/50/55/07/388505507.db2.gz NFFQIXMFXRGUMA-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN CC(C)CCNC(=O)[C@H](C)N1[C@H](C)C[C@@H]1C ZINC000548097985 388509279 /nfs/dbraw/zinc/50/92/79/388509279.db2.gz YAWPQGUIMXMQIU-TUAOUCFPSA-N 0 1 226.364 2.020 20 0 BEADMN Cc1cccc(CNC(=O)CN2[C@@H](C)C[C@@H]2C)c1 ZINC000548096118 388510367 /nfs/dbraw/zinc/51/03/67/388510367.db2.gz HJXNYGJKOZDHET-STQMWFEESA-N 0 1 246.354 2.094 20 0 BEADMN CCC[C@H](CNCc1nccs1)OC ZINC000378811941 388510548 /nfs/dbraw/zinc/51/05/48/388510548.db2.gz ZOLOOZNPYCFSAN-SECBINFHSA-N 0 1 214.334 2.048 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1[C@H](C)C[C@@H]1C ZINC000548096706 388511019 /nfs/dbraw/zinc/51/10/19/388511019.db2.gz KYAAIEPFYVVVGY-FRRDWIJNSA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)CN(C(=O)CN1[C@H](C)C[C@@H]1C)C1CC1 ZINC000548098277 388511641 /nfs/dbraw/zinc/51/16/41/388511641.db2.gz LRXOEGHJDCDENR-TXEJJXNPSA-N 0 1 238.375 2.116 20 0 BEADMN CC1(C)CCN(CC(=O)Nc2cccc(O)c2)C1 ZINC000516876398 388521971 /nfs/dbraw/zinc/52/19/71/388521971.db2.gz WBRDCEGERUIETD-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN CC[C@H](F)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000516879089 388522336 /nfs/dbraw/zinc/52/23/36/388522336.db2.gz LLXXHFHGYPXESB-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN C/C(Cl)=C\CN[C@H](C)c1cnn(C)c1 ZINC000528449618 388525939 /nfs/dbraw/zinc/52/59/39/388525939.db2.gz OVXDMJRPGKQVNP-VGANXODHSA-N 0 1 213.712 2.213 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000516932115 388526757 /nfs/dbraw/zinc/52/67/57/388526757.db2.gz BWDWSYYKNKHBTO-LLVKDONJSA-N 0 1 233.311 2.123 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1ncccc1Cl ZINC000528475951 388532823 /nfs/dbraw/zinc/53/28/23/388532823.db2.gz LSBKJXWTSWRABM-CABZTGNLSA-N 0 1 240.734 2.392 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000517030121 388533241 /nfs/dbraw/zinc/53/32/41/388533241.db2.gz NXCKBVFLUHZELA-DCAQKATOSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1ncccc1Cl ZINC000528475955 388533226 /nfs/dbraw/zinc/53/32/26/388533226.db2.gz LSBKJXWTSWRABM-SKDRFNHKSA-N 0 1 240.734 2.392 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000517042102 388536040 /nfs/dbraw/zinc/53/60/40/388536040.db2.gz LUMLJKMISIZAAQ-PWWFUAJNSA-N 0 1 233.311 2.495 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN1[C@H](C)C[C@@H]1C ZINC000548426839 388536366 /nfs/dbraw/zinc/53/63/66/388536366.db2.gz NGEJWWMRNJKZLJ-RWMBFGLXSA-N 0 1 240.391 2.362 20 0 BEADMN C/C(Cl)=C\CN1CC[C@H](c2nc(C)no2)C1 ZINC000528505701 388536476 /nfs/dbraw/zinc/53/64/76/388536476.db2.gz YRJGBMYNQPEKOI-ANRVEHPFSA-N 0 1 241.722 2.310 20 0 BEADMN C[C@H](NC(=O)CN1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000548424453 388537089 /nfs/dbraw/zinc/53/70/89/388537089.db2.gz KOSMONAAMNZRAI-AVGNSLFASA-N 0 1 246.354 2.347 20 0 BEADMN CCN(C/C=C(/C)Cl)[C@@H]1CCOC1 ZINC000528505387 388537046 /nfs/dbraw/zinc/53/70/46/388537046.db2.gz CACPAVISDLQUCH-ZUYFITGHSA-N 0 1 203.713 2.240 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000549727741 388589570 /nfs/dbraw/zinc/58/95/70/388589570.db2.gz XENBTJVLSIJDCN-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NC(=O)CN(C)C)CC1 ZINC000184059587 256843456 /nfs/dbraw/zinc/84/34/56/256843456.db2.gz KDSGATQHVYYSOW-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NC(=O)CN(C)C)CC1 ZINC000184059551 256843578 /nfs/dbraw/zinc/84/35/78/256843578.db2.gz KDSGATQHVYYSOW-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ncccc1CN1CC[C@H](OC(F)F)C1 ZINC000549845505 388592634 /nfs/dbraw/zinc/59/26/34/388592634.db2.gz LUZNEIGOXJFMLN-NSHDSACASA-N 0 1 242.269 2.204 20 0 BEADMN CCN(CC(=O)Nc1cc(O)ccc1C)C1CC1 ZINC000529922546 388597639 /nfs/dbraw/zinc/59/76/39/388597639.db2.gz AEPWPMIWDJDHNE-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1[C@@H]1C=CCCC1 ZINC000530166127 388617913 /nfs/dbraw/zinc/61/79/13/388617913.db2.gz KHYNLFQCENQPRB-ZWNOBZJWSA-N 0 1 247.294 2.372 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc2occc2c1 ZINC000530003647 388603340 /nfs/dbraw/zinc/60/33/40/388603340.db2.gz IKAATOPVZITLJJ-GFCCVEGCSA-N 0 1 244.294 2.466 20 0 BEADMN C(c1n[nH]c(C2CC2)n1)N1CCCC2(CC2)C1 ZINC000186954561 388605228 /nfs/dbraw/zinc/60/52/28/388605228.db2.gz UFMAJDDGXBHNDB-UHFFFAOYSA-N 0 1 232.331 2.058 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NOC1CCCC1 ZINC000137033570 388555024 /nfs/dbraw/zinc/55/50/24/388555024.db2.gz XMROIXFWZNXUSU-DTHBNOIPSA-N 0 1 241.331 2.036 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NOC1CCCC1 ZINC000137033617 388555141 /nfs/dbraw/zinc/55/51/41/388555141.db2.gz XMROIXFWZNXUSU-UXCLJVHYSA-N 0 1 241.331 2.036 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@@H]2C)oc1C ZINC000548752734 388555992 /nfs/dbraw/zinc/55/59/92/388555992.db2.gz FDIMODUDHUGPQI-DTORHVGOSA-N 0 1 237.299 2.357 20 0 BEADMN C[C@@H]1C[C@H](C)N1CCOCC(F)(F)F ZINC000548754012 388557275 /nfs/dbraw/zinc/55/72/75/388557275.db2.gz GANLEIFCUYFYGU-OCAPTIKFSA-N 0 1 211.227 2.048 20 0 BEADMN CCOC[C@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000528719392 388561374 /nfs/dbraw/zinc/56/13/74/388561374.db2.gz MVWBETRJLMYIEX-DZGCQCFKSA-N 0 1 249.354 2.485 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnc[nH]2)[C@H]2CCCC[C@H]12 ZINC000521073498 388562290 /nfs/dbraw/zinc/56/22/90/388562290.db2.gz WQFKUHPEOKNAIE-WZRBSPASSA-N 0 1 247.342 2.451 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1cccs1 ZINC000261537136 388562402 /nfs/dbraw/zinc/56/24/02/388562402.db2.gz UYOXRVDPQBWPGL-IUCAKERBSA-N 0 1 225.313 2.358 20 0 BEADMN CCOC[C@H]1CN(CC2=CCCCC2)CCO1 ZINC000528733776 388563739 /nfs/dbraw/zinc/56/37/39/388563739.db2.gz WQVSCWRWNFGCFU-CQSZACIVSA-N 0 1 239.359 2.224 20 0 BEADMN C[C@H]1CC(F)(F)CC[N@H+]1CCC(=O)C1CC1 ZINC000528775560 388571951 /nfs/dbraw/zinc/57/19/51/388571951.db2.gz YZZONBFCFXLHPF-VIFPVBQESA-N 0 1 231.286 2.475 20 0 BEADMN CC/C=C/CCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000184550878 388579368 /nfs/dbraw/zinc/57/93/68/388579368.db2.gz GHDNFSDNOLDGIP-GUOLPTJISA-N 0 1 247.404 2.098 20 0 BEADMN Cc1ccccc1C1(NC(=O)[C@H](C)N(C)C)CC1 ZINC000648959380 388585867 /nfs/dbraw/zinc/58/58/67/388585867.db2.gz WLTRZTDZZQCWIM-LBPRGKRZSA-N 0 1 246.354 2.050 20 0 BEADMN CCc1nnc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000247471482 388665088 /nfs/dbraw/zinc/66/50/88/388665088.db2.gz JHMTUEASLKVEPR-GHMZBOCLSA-N 0 1 235.331 2.397 20 0 BEADMN COCc1cccc(NC(=O)c2cn[nH]c2C)c1 ZINC000063759080 388665924 /nfs/dbraw/zinc/66/59/24/388665924.db2.gz SCGWYDFGGJMXQJ-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN c1cnc(CN[C@@H]2CCCC23CCC3)nc1 ZINC000522013772 388674653 /nfs/dbraw/zinc/67/46/53/388674653.db2.gz IHHQBKHVVBATJK-LLVKDONJSA-N 0 1 217.316 2.289 20 0 BEADMN CC[C@H](C)C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530167554 388619702 /nfs/dbraw/zinc/61/97/02/388619702.db2.gz CJASOAUUPNFUJY-JOYOIKCWSA-N 0 1 237.299 2.310 20 0 BEADMN CCCC[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530171168 388620093 /nfs/dbraw/zinc/62/00/93/388620093.db2.gz WLBIIGHZEVYAIB-NSHDSACASA-N 0 1 223.272 2.064 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1CCCCF ZINC000530180086 388623009 /nfs/dbraw/zinc/62/30/09/388623009.db2.gz QZXRCCMBWSOZQB-JGPRNRPPSA-N 0 1 231.311 2.310 20 0 BEADMN Cc1ccc2ncc(CN[C@H](C)CF)n2c1 ZINC000288455026 388627172 /nfs/dbraw/zinc/62/71/72/388627172.db2.gz NLKQZFACFIVYRY-SNVBAGLBSA-N 0 1 221.279 2.090 20 0 BEADMN CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C)nc1C ZINC000521865968 388636116 /nfs/dbraw/zinc/63/61/16/388636116.db2.gz PUGGLSDXMBGRGM-OAHLLOKOSA-N 0 1 247.386 2.224 20 0 BEADMN CC(C)C(C)(C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000551682233 388636619 /nfs/dbraw/zinc/63/66/19/388636619.db2.gz KHRCCINITYTSRE-UHFFFAOYSA-N 0 1 246.314 2.122 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000521886768 388639580 /nfs/dbraw/zinc/63/95/80/388639580.db2.gz KWFBHMRTTJQFQH-OUAUKWLOSA-N 0 1 225.332 2.074 20 0 BEADMN CCC[C@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000246643011 388647422 /nfs/dbraw/zinc/64/74/22/388647422.db2.gz HVFRVNKFBPDRTQ-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN Cc1cc(C)nc(NC(=O)c2ncccc2O)c1 ZINC000123786556 388657384 /nfs/dbraw/zinc/65/73/84/388657384.db2.gz IBWSKJPPJKXMBU-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1n[nH]cc1CN1CC(C)(C)OC(C)(C)C1 ZINC000191194860 388661244 /nfs/dbraw/zinc/66/12/44/388661244.db2.gz CLOZNFCHZMCANF-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)C1 ZINC000247306905 388662388 /nfs/dbraw/zinc/66/23/88/388662388.db2.gz QBIIGRQGLWMKAC-VOAKCMCISA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421347 388735806 /nfs/dbraw/zinc/73/58/06/388735806.db2.gz ZDNSELALHORWSZ-RYUDHWBXSA-N 0 1 248.326 2.329 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCCc3ccccc3C2)CC1 ZINC000572532758 388741671 /nfs/dbraw/zinc/74/16/71/388741671.db2.gz CHZQRSWNFBCANQ-UHFFFAOYSA-N 0 1 245.322 2.300 20 0 BEADMN c1nc2ccccn2c1CN1CCCSCC1 ZINC000089981977 388743029 /nfs/dbraw/zinc/74/30/29/388743029.db2.gz HWJRSKUWPOISBS-UHFFFAOYSA-N 0 1 247.367 2.273 20 0 BEADMN CC[C@@H](O)CN1CCc2ccc(Cl)cc2C1 ZINC000090613485 388749647 /nfs/dbraw/zinc/74/96/47/388749647.db2.gz AACUKJSOSNCIBH-CYBMUJFWSA-N 0 1 239.746 2.469 20 0 BEADMN C[N@@H+](CCNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000126299644 388694115 /nfs/dbraw/zinc/69/41/15/388694115.db2.gz MFDWSEVMXRHTMV-UHFFFAOYSA-N 0 1 246.354 2.035 20 0 BEADMN CCN(CC(=O)N[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000126704978 388700402 /nfs/dbraw/zinc/70/04/02/388700402.db2.gz PNXAHVJMGBRSIF-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1cc(C(=O)N(C)C(C2CC2)C2CC2)n[nH]1 ZINC000195190440 388700505 /nfs/dbraw/zinc/70/05/05/388700505.db2.gz GNWNSFGZPMXISC-UHFFFAOYSA-N 0 1 247.342 2.233 20 0 BEADMN CCN(CC(=O)N[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000126705199 388700491 /nfs/dbraw/zinc/70/04/91/388700491.db2.gz PNXAHVJMGBRSIF-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC000193384318 388701957 /nfs/dbraw/zinc/70/19/57/388701957.db2.gz VDNLDTHURGTDOZ-NSHDSACASA-N 0 1 220.316 2.322 20 0 BEADMN FC[C@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000552392711 388702366 /nfs/dbraw/zinc/70/23/66/388702366.db2.gz YNZPGXRYAGBWSH-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN FC[C@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000552392711 388702367 /nfs/dbraw/zinc/70/23/67/388702367.db2.gz YNZPGXRYAGBWSH-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2[nH]cnc2c1 ZINC000552392711 388702371 /nfs/dbraw/zinc/70/23/71/388702371.db2.gz YNZPGXRYAGBWSH-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN O=C(Nc1cccnc1)c1cccc2nc[nH]c21 ZINC000142418347 388706820 /nfs/dbraw/zinc/70/68/20/388706820.db2.gz LUZNSGRKTNIDFL-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN CCn1ncnc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000193570062 388709454 /nfs/dbraw/zinc/70/94/54/388709454.db2.gz FBPFCRXRZLLJOB-RYUDHWBXSA-N 0 1 236.363 2.309 20 0 BEADMN FC(F)(F)CSc1nc(C2CC2)n[nH]1 ZINC000126981880 388710309 /nfs/dbraw/zinc/71/03/09/388710309.db2.gz CGHZRHWPSXXQLB-UHFFFAOYSA-N 0 1 223.223 2.337 20 0 BEADMN FC(F)(F)CSc1n[nH]c(C2CC2)n1 ZINC000126981880 388710311 /nfs/dbraw/zinc/71/03/11/388710311.db2.gz CGHZRHWPSXXQLB-UHFFFAOYSA-N 0 1 223.223 2.337 20 0 BEADMN Cc1cnc(CN(C)C2CCOCC2)s1 ZINC000552467221 388711381 /nfs/dbraw/zinc/71/13/81/388711381.db2.gz IHVOHXRKYBNOMD-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cn1 ZINC000193977433 388720192 /nfs/dbraw/zinc/72/01/92/388720192.db2.gz REBZUHYNQNPSMK-MNOVXSKESA-N 0 1 237.372 2.309 20 0 BEADMN C=Cn1cc(CN2CCS[C@@H](C)[C@H]2C)cn1 ZINC000193977433 388720195 /nfs/dbraw/zinc/72/01/95/388720195.db2.gz REBZUHYNQNPSMK-MNOVXSKESA-N 0 1 237.372 2.309 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000538823883 388729632 /nfs/dbraw/zinc/72/96/32/388729632.db2.gz LGMBYUQWGNWNSK-CYBMUJFWSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@@]1(F)CCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000538823883 388729634 /nfs/dbraw/zinc/72/96/34/388729634.db2.gz LGMBYUQWGNWNSK-CYBMUJFWSA-N 0 1 233.290 2.497 20 0 BEADMN CC[N@@H+](CCO)Cc1cc(C)sc1C ZINC000194381812 388730477 /nfs/dbraw/zinc/73/04/77/388730477.db2.gz WSIDLYMBLMPGNT-UHFFFAOYSA-N 0 1 213.346 2.179 20 0 BEADMN c1nc2c(ncnc2NCC(C2CC2)C2CC2)[nH]1 ZINC000088460239 388731883 /nfs/dbraw/zinc/73/18/83/388731883.db2.gz RKABQULIDNBSLB-UHFFFAOYSA-N 0 1 243.314 2.201 20 0 BEADMN CCn1cc(CN(C)CCOC(C)(C)C)cn1 ZINC000522245775 388732551 /nfs/dbraw/zinc/73/25/51/388732551.db2.gz DFSOJUVRORWECE-UHFFFAOYSA-N 0 1 239.363 2.150 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000226865668 388732997 /nfs/dbraw/zinc/73/29/97/388732997.db2.gz UIWOODAFCPUUIG-PWSUYJOCSA-N 0 1 213.321 2.219 20 0 BEADMN CCN(C(=O)[C@H]1CCC[N@H+]1C)c1ccccc1C ZINC000522248673 388733587 /nfs/dbraw/zinc/73/35/87/388733587.db2.gz QNAPQMQENIXNOX-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN CCN(C(=O)[C@H]1CCCN1C)c1ccccc1C ZINC000522248673 388733588 /nfs/dbraw/zinc/73/35/88/388733588.db2.gz QNAPQMQENIXNOX-CQSZACIVSA-N 0 1 246.354 2.442 20 0 BEADMN Cc1oncc1CN1CCSC(C)(C)C1 ZINC000128862865 388799536 /nfs/dbraw/zinc/79/95/36/388799536.db2.gz FLVCIUFEUFPEPR-UHFFFAOYSA-N 0 1 226.345 2.310 20 0 BEADMN C[C@H](CF)NCc1cncc(Br)c1 ZINC000288573153 388805542 /nfs/dbraw/zinc/80/55/42/388805542.db2.gz ZYJNZURBJRWBST-SSDOTTSWSA-N 0 1 247.111 2.292 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC000252112079 388759985 /nfs/dbraw/zinc/75/99/85/388759985.db2.gz HXGXGEYKFSVKCG-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cc(C(=O)CN2C[C@@H](C)[C@H](C)C2)c(C)n1C ZINC000091528041 388764569 /nfs/dbraw/zinc/76/45/69/388764569.db2.gz HWENVMRGDVBINE-GHMZBOCLSA-N 0 1 248.370 2.412 20 0 BEADMN Cc1nc([C@H](C)NCCC[C@H](C)O)cs1 ZINC000228039230 388767049 /nfs/dbraw/zinc/76/70/49/388767049.db2.gz YYDBEECIQSKTTN-IUCAKERBSA-N 0 1 228.361 2.263 20 0 BEADMN OCCCCCNCc1ncc(Cl)s1 ZINC000228733184 388773432 /nfs/dbraw/zinc/77/34/32/388773432.db2.gz KLSWXPRGAWMVPL-UHFFFAOYSA-N 0 1 234.752 2.049 20 0 BEADMN CC[C@@H](C)N(C)CC(=O)Nc1nc(C)cs1 ZINC000068451134 388787247 /nfs/dbraw/zinc/78/72/47/388787247.db2.gz GBOHWKQWRJEENP-SECBINFHSA-N 0 1 241.360 2.120 20 0 BEADMN Cc1ccnc(NCC[C@H]2CCOC2)c1 ZINC000230104656 388816640 /nfs/dbraw/zinc/81/66/40/388816640.db2.gz VJIGVJBSWYXGDR-NSHDSACASA-N 0 1 206.289 2.229 20 0 BEADMN CC(C)(NC[C@H]1CCCO1)c1nccs1 ZINC000231730900 388840838 /nfs/dbraw/zinc/84/08/38/388840838.db2.gz RTOBVZHNZCFBIY-SECBINFHSA-N 0 1 226.345 2.147 20 0 BEADMN COc1ccc(F)cc1NC(=O)c1cn[nH]c1C ZINC000093548603 388842702 /nfs/dbraw/zinc/84/27/02/388842702.db2.gz NMBSOEGOBABETH-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COC[C@@H](NCc1nccn1C(C)C)C(C)C ZINC000541593211 388860426 /nfs/dbraw/zinc/86/04/26/388860426.db2.gz WHVLRWWKDAUKBN-GFCCVEGCSA-N 0 1 239.363 2.225 20 0 BEADMN CC[C@H](NC(=O)CCc1cnc[nH]1)C1CCCC1 ZINC000564539198 388877079 /nfs/dbraw/zinc/87/70/79/388877079.db2.gz YXGQNYBNVLQUBF-ZDUSSCGKSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cccc2nc(-c3ccnn3C)[nH]c21 ZINC000070234379 388878110 /nfs/dbraw/zinc/87/81/10/388878110.db2.gz GYZAKFZBDMSWQT-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN C[C@@H](CC(F)(F)F)c1nc(C2(N)CCC2)no1 ZINC000564959704 388902525 /nfs/dbraw/zinc/90/25/25/388902525.db2.gz RKCWVDNVTZJIOB-LURJTMIESA-N 0 1 249.236 2.463 20 0 BEADMN O=C([O-])C1(C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000565101214 388915319 /nfs/dbraw/zinc/91/53/19/388915319.db2.gz BPSCVZKLVMBXIZ-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN CCC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000565111057 388915880 /nfs/dbraw/zinc/91/58/80/388915880.db2.gz HMHKBNACOWJYHM-CQSZACIVSA-N 0 1 233.311 2.125 20 0 BEADMN C[C@H](C(=O)N(C)C1(C)CCCC1)N1CC(C)C1 ZINC000565193931 388923871 /nfs/dbraw/zinc/92/38/71/388923871.db2.gz BVIONPMYJUWYOZ-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000565256006 388932936 /nfs/dbraw/zinc/93/29/36/388932936.db2.gz WGIWVQYOMJZEBR-NEPJUHHUSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCC[C@@H]3C2)n1C1CC1 ZINC000153371652 388967214 /nfs/dbraw/zinc/96/72/14/388967214.db2.gz NQCSPWVIOUOTGY-TXEJJXNPSA-N 0 1 246.358 2.153 20 0 BEADMN Cc1cccc(CCN2CCOC[C@H]2C2CC2)n1 ZINC000565360711 388939432 /nfs/dbraw/zinc/93/94/32/388939432.db2.gz RXLKLYGQMBZHHV-HNNXBMFYSA-N 0 1 246.354 2.043 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N2CC[C@H](C)[C@@H]2C)cc1 ZINC000262634557 388941503 /nfs/dbraw/zinc/94/15/03/388941503.db2.gz HQPDWQKBSJTQRP-OBJOEFQTSA-N 0 1 246.354 2.252 20 0 BEADMN OCCCCN1CCc2ccc(Cl)cc2C1 ZINC000153134337 388942251 /nfs/dbraw/zinc/94/22/51/388942251.db2.gz NYCIRTLVATZDHE-UHFFFAOYSA-N 0 1 239.746 2.471 20 0 BEADMN CCN(CC(=O)N[C@H]1CCCC1(C)C)C1CC1 ZINC000153408033 388969566 /nfs/dbraw/zinc/96/95/66/388969566.db2.gz AOLNSKUYCFJBKT-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1nnsc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000565541327 388949830 /nfs/dbraw/zinc/94/98/30/388949830.db2.gz NKFWCDBKUUFCFG-WPRPVWTQSA-N 0 1 225.361 2.467 20 0 BEADMN COC[C@@H](Cc1ccccc1)NCc1ccno1 ZINC000565539839 388952945 /nfs/dbraw/zinc/95/29/45/388952945.db2.gz FAYYLZRGLARSNC-CYBMUJFWSA-N 0 1 246.310 2.022 20 0 BEADMN Cn1cc(CN2C3CCC2CC3)c(C(F)F)n1 ZINC000565926347 388979737 /nfs/dbraw/zinc/97/97/37/388979737.db2.gz SMKQPUJUXHMHJE-UHFFFAOYSA-N 0 1 241.285 2.485 20 0 BEADMN Cc1cccc(CCN2CCC[C@H]2CF)n1 ZINC000566006806 388982582 /nfs/dbraw/zinc/98/25/82/388982582.db2.gz RPFBNYNFNBKSFT-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN CO[C@H](CNCc1nc(C)cs1)C(C)C ZINC000266609345 388997175 /nfs/dbraw/zinc/99/71/75/388997175.db2.gz HIQDDTWVBNJPDE-SNVBAGLBSA-N 0 1 228.361 2.212 20 0 BEADMN CC[C@H]1CCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000268105523 389002115 /nfs/dbraw/zinc/00/21/15/389002115.db2.gz BFTJOIAAGOHQSX-IUCAKERBSA-N 0 1 231.303 2.344 20 0 BEADMN CC[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1O ZINC000270887881 389015195 /nfs/dbraw/zinc/01/51/95/389015195.db2.gz KXQFYSWGOSMSMA-CABZTGNLSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1sccc1Cl ZINC001645675576 1172683484 /nfs/dbraw/zinc/68/34/84/1172683484.db2.gz QNQXMZIDSRLTIZ-CBAPKCEASA-N 0 1 231.748 2.357 20 0 BEADMN CN(CCCF)C(=O)c1ccc(Cl)c(O)c1 ZINC001645775130 1172688614 /nfs/dbraw/zinc/68/86/14/1172688614.db2.gz IVBYRTLDVHBNBT-UHFFFAOYSA-N 0 1 245.681 2.477 20 0 BEADMN CCN(CC(=O)Nc1ccc(O)cc1C)C1CC1 ZINC000269653824 169724352 /nfs/dbraw/zinc/72/43/52/169724352.db2.gz CPNKVKFPBAXOAD-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2nc3ccccc3o2)C1 ZINC000510122042 533293498 /nfs/dbraw/zinc/29/34/98/533293498.db2.gz RQDFYPNAIMOOIA-PHIMTYICSA-N 0 1 246.310 2.437 20 0 BEADMN C[C@H]1CC(NCc2ncccn2)C[C@H](C)C1 ZINC000082835099 322825674 /nfs/dbraw/zinc/82/56/74/322825674.db2.gz URZCUUZALJZNGP-GHMZBOCLSA-N 0 1 219.332 2.391 20 0 BEADMN CN1CCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000266117561 132184218 /nfs/dbraw/zinc/18/42/18/132184218.db2.gz LUNSWWLDTMDJEM-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN C[C@H]1C[C@H](C)CN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000019845164 132327510 /nfs/dbraw/zinc/32/75/10/132327510.db2.gz DLLNINFYCVXZMI-UWVGGRQHSA-N 0 1 234.299 2.262 20 0 BEADMN Cc1nccc(N2CC[C@@H](C)[C@H](O)C2)c1Cl ZINC000309390600 132390456 /nfs/dbraw/zinc/39/04/56/132390456.db2.gz SENBWWDGLYFXKR-LDYMZIIASA-N 0 1 240.734 2.251 20 0 BEADMN CC(C)=CCN1CCN(c2ccccc2O)CC1 ZINC000066862426 132390552 /nfs/dbraw/zinc/39/05/52/132390552.db2.gz GMFYYVVVZYSCAO-UHFFFAOYSA-N 0 1 246.354 2.480 20 0 BEADMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C(C)(C)C ZINC000335511961 133871398 /nfs/dbraw/zinc/87/13/98/133871398.db2.gz IINCTBHZNIUNNB-UHFFFAOYSA-N 0 1 249.236 2.299 20 0 BEADMN CCc1nn(C)c(CC)c1CNC(C)(C)CF ZINC000351932883 134014178 /nfs/dbraw/zinc/01/41/78/134014178.db2.gz ZHYIPDKTWCKDQQ-UHFFFAOYSA-N 0 1 241.354 2.383 20 0 BEADMN C[C@@H](NC1CCOCC1)c1c(F)cncc1F ZINC000335945742 134020131 /nfs/dbraw/zinc/02/01/31/134020131.db2.gz UMDLLIDJJAOTCZ-MRVPVSSYSA-N 0 1 242.269 2.189 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccccc2)CCN1C ZINC000335946799 134020361 /nfs/dbraw/zinc/02/03/61/134020361.db2.gz SKGYJMCKXDEMIG-VXGBXAGGSA-N 0 1 247.342 2.243 20 0 BEADMN CN(Cc1ncccn1)C1CCC(F)(F)CC1 ZINC000335956575 134023427 /nfs/dbraw/zinc/02/34/27/134023427.db2.gz ZOFWDZQRUYXCQF-UHFFFAOYSA-N 0 1 241.285 2.486 20 0 BEADMN C[C@@H](c1nncn1C)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335959053 134024155 /nfs/dbraw/zinc/02/41/55/134024155.db2.gz GZDYFZBHAGNWHV-QWRGUYRKSA-N 0 1 236.363 2.244 20 0 BEADMN C[C@@H](c1nncn1C)N1C[C@@H](C)CC(C)(C)C1 ZINC000335959053 134024156 /nfs/dbraw/zinc/02/41/56/134024156.db2.gz GZDYFZBHAGNWHV-QWRGUYRKSA-N 0 1 236.363 2.244 20 0 BEADMN Cc1ncc(CN2CCSCC[C@@H]2C)cn1 ZINC000335966704 134028486 /nfs/dbraw/zinc/02/84/86/134028486.db2.gz ZZERKXCABAAARA-JTQLQIEISA-N 0 1 237.372 2.112 20 0 BEADMN Cc1ncccc1CN1CCOCC2(CC2)C1 ZINC000335988047 134039482 /nfs/dbraw/zinc/03/94/82/134039482.db2.gz SROJJWBDUPJJFV-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN O[C@H]([C@H]1CCC[N@H+]1CCCCF)C(F)(F)F ZINC000352024468 134040801 /nfs/dbraw/zinc/04/08/01/134040801.db2.gz GYLITQMEEXCFQT-RKDXNWHRSA-N 0 1 243.244 2.124 20 0 BEADMN Cc1cn[nH]c1CN[C@@H]1COc2ccc(F)cc21 ZINC000336007086 134049289 /nfs/dbraw/zinc/04/92/89/134049289.db2.gz OPKWQWHQDLYNSJ-GFCCVEGCSA-N 0 1 247.273 2.081 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2n[nH]cc2C)CC1 ZINC000336011918 134051534 /nfs/dbraw/zinc/05/15/34/134051534.db2.gz BPHHBEGEFDLVBZ-ZDUSSCGKSA-N 0 1 237.347 2.109 20 0 BEADMN O=C(N[C@H]1C=CCCC1)c1ccc2cncn2c1 ZINC000336040731 134061997 /nfs/dbraw/zinc/06/19/97/134061997.db2.gz MXPAZGNNFUERDC-LBPRGKRZSA-N 0 1 241.294 2.173 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCCC2)CC[S@@]1=O ZINC000336119618 134089873 /nfs/dbraw/zinc/08/98/73/134089873.db2.gz DFRJHMMGSWNTFQ-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN C[C@H]1CCN(CCC2CCCC2)CC[S@@]1=O ZINC000336119618 134089874 /nfs/dbraw/zinc/08/98/74/134089874.db2.gz DFRJHMMGSWNTFQ-LRDDRELGSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1nnc(C[N@@H+]2C[C@@H](C)CC2(C)C)s1 ZINC000336119911 134089944 /nfs/dbraw/zinc/08/99/44/134089944.db2.gz QJZBYPROXAEUKB-QMMMGPOBSA-N 0 1 225.361 2.467 20 0 BEADMN Cc1nnc(CN2C[C@@H](C)CC2(C)C)s1 ZINC000336119911 134089945 /nfs/dbraw/zinc/08/99/45/134089945.db2.gz QJZBYPROXAEUKB-QMMMGPOBSA-N 0 1 225.361 2.467 20 0 BEADMN Oc1cccc(CNc2cc3c(cn2)CCC3)c1 ZINC000336120670 134091255 /nfs/dbraw/zinc/09/12/55/134091255.db2.gz SHGDVSHJDHXRIB-UHFFFAOYSA-N 0 1 240.306 2.310 20 0 BEADMN Cc1cc(F)cc2c1CN([C@@H]1CCOC1)CC2 ZINC000336135666 134095821 /nfs/dbraw/zinc/09/58/21/134095821.db2.gz DWKOTXZMJJYTCV-CYBMUJFWSA-N 0 1 235.302 2.281 20 0 BEADMN C[C@H]1CN(CC2(C)CCC2)C[C@H](C)S1=O ZINC000336138545 134097049 /nfs/dbraw/zinc/09/70/49/134097049.db2.gz ZBYSMGVPCXYNEC-QWRGUYRKSA-N 0 1 229.389 2.018 20 0 BEADMN Cc1nnc(CN2C[C@H](C)C[C@H]2C)n1C1CC1 ZINC000336141972 134100626 /nfs/dbraw/zinc/10/06/26/134100626.db2.gz JQSQEFBBXFCNDV-NXEZZACHSA-N 0 1 234.347 2.152 20 0 BEADMN O=C([C@@H]1CC=CCC1)N1CCN(C2CCC2)CC1 ZINC000336154594 134105399 /nfs/dbraw/zinc/10/53/99/134105399.db2.gz ZFNOQANGNKGUSZ-CYBMUJFWSA-N 0 1 248.370 2.039 20 0 BEADMN CC(C)C(C)(C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000336158460 134106892 /nfs/dbraw/zinc/10/68/92/134106892.db2.gz KSRARWXQMUMKSH-NWDGAFQWSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H](O)CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352209313 134107315 /nfs/dbraw/zinc/10/73/15/134107315.db2.gz AVMWFIMQDDOJER-YPMHNXCESA-N 0 1 237.347 2.098 20 0 BEADMN CC[C@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000336191862 134123880 /nfs/dbraw/zinc/12/38/80/134123880.db2.gz PTFHNPXEZRQFES-JTQLQIEISA-N 0 1 219.275 2.143 20 0 BEADMN O[C@]1(C(F)(F)F)CC[N@@H+](CC2=CCCCC2)C1 ZINC000336197195 134127074 /nfs/dbraw/zinc/12/70/74/134127074.db2.gz ZEPSFUBKSDTBQH-LLVKDONJSA-N 0 1 249.276 2.486 20 0 BEADMN O[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000336206402 134132020 /nfs/dbraw/zinc/13/20/20/134132020.db2.gz AMRHLGFXHBHRFO-ISUDXETCSA-N 0 1 239.265 2.045 20 0 BEADMN O[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000336206402 134132021 /nfs/dbraw/zinc/13/20/21/134132021.db2.gz AMRHLGFXHBHRFO-ISUDXETCSA-N 0 1 239.265 2.045 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H]1C=CCCC1 ZINC000336208496 134133378 /nfs/dbraw/zinc/13/33/78/134133378.db2.gz OBXNHPPQHWPASD-GXTWGEPZSA-N 0 1 244.338 2.220 20 0 BEADMN c1c2cccnc2oc1CN1CC2(C1)CCOC2 ZINC000336219229 134138328 /nfs/dbraw/zinc/13/83/28/134138328.db2.gz JNCJQTJKXGNFOV-UHFFFAOYSA-N 0 1 244.294 2.050 20 0 BEADMN Cc1cnc([C@H](N[C@H]2CCOC2)C2CC2)s1 ZINC000168315473 134196038 /nfs/dbraw/zinc/19/60/38/134196038.db2.gz KNTWZDLVOCJIDK-WDEREUQCSA-N 0 1 238.356 2.281 20 0 BEADMN C[C@@H](NCc1ncc[nH]1)[C@@H]1COc2ccccc21 ZINC000169105749 134249503 /nfs/dbraw/zinc/24/95/03/134249503.db2.gz IXQMMQFRXVBSDR-PWSUYJOCSA-N 0 1 243.310 2.064 20 0 BEADMN C[C@H](NCc1ncc[nH]1)[C@@H]1COc2ccccc21 ZINC000169105671 134249551 /nfs/dbraw/zinc/24/95/51/134249551.db2.gz IXQMMQFRXVBSDR-JQWIXIFHSA-N 0 1 243.310 2.064 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1CC(=O)OC(C)(C)C ZINC000174466254 134282217 /nfs/dbraw/zinc/28/22/17/134282217.db2.gz WNPPLLPETLJVAQ-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CCN(Cc1cccnc1OC)C1CC1 ZINC000176456555 134291810 /nfs/dbraw/zinc/29/18/10/134291810.db2.gz QRQXRLVDMFWLKM-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN Cc1csc(CN[C@@]2(C)CCCOC2)n1 ZINC000221357357 134320683 /nfs/dbraw/zinc/32/06/83/134320683.db2.gz URRZVDKHWRFFBE-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN c1cn2c(cccc2CNCc2ccoc2)n1 ZINC000179420186 134320954 /nfs/dbraw/zinc/32/09/54/134320954.db2.gz UKFZYEOZQFOFDO-UHFFFAOYSA-N 0 1 227.267 2.217 20 0 BEADMN CC[C@@H](C)N(C)Cc1nc(N)c2ccccc2n1 ZINC000181457226 134336499 /nfs/dbraw/zinc/33/64/99/134336499.db2.gz QUDZYBPPXNGQRZ-SNVBAGLBSA-N 0 1 244.342 2.442 20 0 BEADMN CC[C@@H](NCc1cncc(C)c1)c1cnn(C)c1 ZINC000181843333 134340154 /nfs/dbraw/zinc/34/01/54/134340154.db2.gz SQRPXIBGJGURBW-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN C[C@H](NC[C@H](O)C(F)F)c1ccccc1F ZINC000224438268 134347274 /nfs/dbraw/zinc/34/72/74/134347274.db2.gz RNKCBYNXBKBSEF-XVKPBYJWSA-N 0 1 233.233 2.102 20 0 BEADMN CC[N@@H+](C)CCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000183780656 134353897 /nfs/dbraw/zinc/35/38/97/134353897.db2.gz ALZLWTDNLKHYOC-RYUDHWBXSA-N 0 1 240.391 2.127 20 0 BEADMN Clc1cnc(CNCC[C@H]2CCOC2)s1 ZINC000225382716 134354647 /nfs/dbraw/zinc/35/46/47/134354647.db2.gz HPSFFVACRUTZLI-QMMMGPOBSA-N 0 1 246.763 2.313 20 0 BEADMN CCc1nnc(CN(CC(C)C)C(C)C)[nH]1 ZINC000184571324 134363512 /nfs/dbraw/zinc/36/35/12/134363512.db2.gz WMMSDFOTFYMCCG-UHFFFAOYSA-N 0 1 224.352 2.234 20 0 BEADMN CN(C)c1ccncc1CNCc1ccoc1 ZINC000185163698 134372506 /nfs/dbraw/zinc/37/25/06/134372506.db2.gz RWEAFKOHSDFDIP-UHFFFAOYSA-N 0 1 231.299 2.030 20 0 BEADMN COCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185318758 134379854 /nfs/dbraw/zinc/37/98/54/134379854.db2.gz ORGOADVNITYUIE-SNVBAGLBSA-N 0 1 241.281 2.401 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000185544560 134381611 /nfs/dbraw/zinc/38/16/11/134381611.db2.gz IDQCDCDOSFKYSJ-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nc(C)cs2)C1(C)C ZINC000227830191 134390456 /nfs/dbraw/zinc/39/04/56/134390456.db2.gz ZARQAPNTGPYULT-VHSXEESVSA-N 0 1 240.372 2.355 20 0 BEADMN CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151110509 134461528 /nfs/dbraw/zinc/46/15/28/134461528.db2.gz ZXCOKUPCPDLNBF-UHFFFAOYSA-N 0 1 227.239 2.472 20 0 BEADMN Clc1cnc(CNC2CCOCC2)s1 ZINC000225316946 134712083 /nfs/dbraw/zinc/71/20/83/134712083.db2.gz DLWNWNSXZQNBFZ-UHFFFAOYSA-N 0 1 232.736 2.065 20 0 BEADMN CCNCc1coc(-c2ccccc2)n1 ZINC000082239195 134945604 /nfs/dbraw/zinc/94/56/04/134945604.db2.gz DESFFOFLSWESCO-UHFFFAOYSA-N 0 1 202.257 2.451 20 0 BEADMN C[C@H](c1cccc(F)c1)[N@H+]1CC[C@](C)(O)C1 ZINC000248369158 135000552 /nfs/dbraw/zinc/00/05/52/135000552.db2.gz VYTGYTKDQZIARJ-MFKMUULPSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@](C)(O)C1 ZINC000248369157 135000675 /nfs/dbraw/zinc/00/06/75/135000675.db2.gz VYTGYTKDQZIARJ-GWCFXTLKSA-N 0 1 223.291 2.343 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)no1 ZINC000248423805 135007625 /nfs/dbraw/zinc/00/76/25/135007625.db2.gz NEUGJCBYEDRMDV-ZMLRMANQSA-N 0 1 235.331 2.389 20 0 BEADMN CCOC(=O)CCN[C@@H](C)c1nc(C)cs1 ZINC000070733528 135011694 /nfs/dbraw/zinc/01/16/94/135011694.db2.gz IYBTXAUNVZMQTC-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN CCC[C@]1(C)CCCN([C@@H](C)C(=O)OC)C1 ZINC000076145663 135013040 /nfs/dbraw/zinc/01/30/40/135013040.db2.gz OONNUUZYVNOFNX-WCQYABFASA-N 0 1 227.348 2.450 20 0 BEADMN CC1(C)CC[C@@H](CN2CCOC[C@H]2C2CC2)O1 ZINC000248586628 135016109 /nfs/dbraw/zinc/01/61/09/135016109.db2.gz XYOWNPAXFULRQV-STQMWFEESA-N 0 1 239.359 2.055 20 0 BEADMN CC(C)CO[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000248622550 135017439 /nfs/dbraw/zinc/01/74/39/135017439.db2.gz NOYNILXWFVJNCY-CHWSQXEVSA-N 0 1 249.358 2.285 20 0 BEADMN CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)CC(C)C ZINC000248726637 135020603 /nfs/dbraw/zinc/02/06/03/135020603.db2.gz CVJDJKYQTCGRDE-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC=C(C)C ZINC000248788274 135021458 /nfs/dbraw/zinc/02/14/58/135021458.db2.gz CZARRJQKIDTCRS-UPJWGTAASA-N 0 1 237.343 2.226 20 0 BEADMN CCN(Cc1ccccn1)C[C@@H]1CC[C@@H](C)O1 ZINC000248885473 135024633 /nfs/dbraw/zinc/02/46/33/135024633.db2.gz HEUDUNCIGSUHLJ-OCCSQVGLSA-N 0 1 234.343 2.471 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2C[C@H]2C(C)C)n[nH]1 ZINC000249283218 135027589 /nfs/dbraw/zinc/02/75/89/135027589.db2.gz HIHJUXAKWGQZMN-XDTLVQLUSA-N 0 1 249.358 2.057 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H](O)CC1CCCC1 ZINC000249038405 135030359 /nfs/dbraw/zinc/03/03/59/135030359.db2.gz GKBLMMYSJVWJOU-DYEKYZERSA-N 0 1 241.375 2.037 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000249518215 135040921 /nfs/dbraw/zinc/04/09/21/135040921.db2.gz IKQKLZGAQXGRMF-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](O)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000249600861 135041498 /nfs/dbraw/zinc/04/14/98/135041498.db2.gz QLXSHLKCRXFFFR-QVHKTLOISA-N 0 1 249.354 2.218 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000249748092 135044280 /nfs/dbraw/zinc/04/42/80/135044280.db2.gz OGZCVDXTJSNBJN-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@H]1CCCO1 ZINC000249816941 135046566 /nfs/dbraw/zinc/04/65/66/135046566.db2.gz CMHPLRVWJPEHLM-GHMZBOCLSA-N 0 1 209.289 2.451 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)cs1 ZINC000250062269 135048809 /nfs/dbraw/zinc/04/88/09/135048809.db2.gz NBBPRTWFXKKZLY-TUAOUCFPSA-N 0 1 238.356 2.109 20 0 BEADMN CCS[C@H]1CCCCN([C@H](C)C(=O)OC)C1 ZINC000246735645 135083444 /nfs/dbraw/zinc/08/34/44/135083444.db2.gz MKOQEBFMVFFIES-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)CCCC(=O)[O-] ZINC000086437864 135084877 /nfs/dbraw/zinc/08/48/77/135084877.db2.gz DSINLSBWNKTKCD-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000262181925 135117020 /nfs/dbraw/zinc/11/70/20/135117020.db2.gz DVWUOHAAONGAEK-RYUDHWBXSA-N 0 1 233.311 2.257 20 0 BEADMN COC(=O)c1occc1CN(C(C)C)C1CC1 ZINC000078339606 135119567 /nfs/dbraw/zinc/11/95/67/135119567.db2.gz NAYZKMPWOJAVSZ-UHFFFAOYSA-N 0 1 237.299 2.439 20 0 BEADMN CCCCN(C/C=C\c1ccccc1)CC(N)=O ZINC000255002058 135127654 /nfs/dbraw/zinc/12/76/54/135127654.db2.gz OFYFDUOGGFIGGL-YFHOEESVSA-N 0 1 246.354 2.287 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)CCC(=O)[O-] ZINC000261536111 135171587 /nfs/dbraw/zinc/17/15/87/135171587.db2.gz QKGRGOLMWHKXQA-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084330694 135211792 /nfs/dbraw/zinc/21/17/92/135211792.db2.gz USIAIOADOJXARS-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1sccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000261570675 135212210 /nfs/dbraw/zinc/21/22/10/135212210.db2.gz HBEMMUNCFIHMSV-LLVKDONJSA-N 0 1 239.340 2.496 20 0 BEADMN c1sc(C2CC2)nc1CN[C@@H]1CCCOC1 ZINC000164042893 135212655 /nfs/dbraw/zinc/21/26/55/135212655.db2.gz KMCWORZMCMNTFH-SNVBAGLBSA-N 0 1 238.356 2.289 20 0 BEADMN C[C@@H]1[C@H](C)SCC[N@H+]1CCCCC(=O)[O-] ZINC000164128222 135213356 /nfs/dbraw/zinc/21/33/56/135213356.db2.gz UJYWLTJCSJJDKO-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN NC1(c2noc(-c3cccs3)n2)CCC1 ZINC000261577035 135218641 /nfs/dbraw/zinc/21/86/41/135218641.db2.gz KUOMKPYVAPINLM-UHFFFAOYSA-N 0 1 221.285 2.136 20 0 BEADMN CSC[C@@H](CCO)NCc1ccc(Cl)o1 ZINC000164348189 135219516 /nfs/dbraw/zinc/21/95/16/135219516.db2.gz KJPMARVLRWNVLL-MRVPVSSYSA-N 0 1 249.763 2.137 20 0 BEADMN C/C=C(/C)c1nc(C2(N)CCCC2)no1 ZINC000261591116 135232077 /nfs/dbraw/zinc/23/20/77/135232077.db2.gz VBDMEUPRZWSLBH-BAQGIRSFSA-N 0 1 207.277 2.221 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1CCCCC(=O)[O-] ZINC000261592434 135232542 /nfs/dbraw/zinc/23/25/42/135232542.db2.gz VWJNBOUCXXKHHF-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000261596786 135236262 /nfs/dbraw/zinc/23/62/62/135236262.db2.gz YVVXSMSIILSYMB-LLVKDONJSA-N 0 1 221.300 2.372 20 0 BEADMN NC1(c2noc(CC3CCCC3)n2)CCC1 ZINC000261722578 135248135 /nfs/dbraw/zinc/24/81/35/135248135.db2.gz JRJZEXUBWBXDED-UHFFFAOYSA-N 0 1 221.304 2.140 20 0 BEADMN NC1(c2noc(CCc3ccccc3)n2)CCC1 ZINC000261830888 135255893 /nfs/dbraw/zinc/25/58/93/135255893.db2.gz RDXUPRWKWVIWPW-UHFFFAOYSA-N 0 1 243.310 2.193 20 0 BEADMN Cc1ccc(-c2nc(C3(N)CCC3)no2)c(C)n1 ZINC000261909543 135261982 /nfs/dbraw/zinc/26/19/82/135261982.db2.gz ZNXIOCPSLORUDQ-UHFFFAOYSA-N 0 1 244.298 2.086 20 0 BEADMN CC(C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000342336237 135265269 /nfs/dbraw/zinc/26/52/69/135265269.db2.gz UVSHIBJPZNOHDW-UHFFFAOYSA-N 0 1 231.255 2.037 20 0 BEADMN CN(C)C1CN(C(=O)CCCCC(C)(C)C)C1 ZINC000342404635 135271791 /nfs/dbraw/zinc/27/17/91/135271791.db2.gz RYSNBYZYMQPJGZ-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)C[C@H](Nc1[nH]c2ccccc2[nH+]1)C(=O)[O-] ZINC000262113338 135279873 /nfs/dbraw/zinc/27/98/73/135279873.db2.gz KRHNVPPMPKAESG-NSHDSACASA-N 0 1 247.298 2.474 20 0 BEADMN Cc1ccc2c(C)cc(N(C)CC(=O)[O-])[nH+]c2c1 ZINC000262188992 135284876 /nfs/dbraw/zinc/28/48/76/135284876.db2.gz YGMPADSSYUKJKB-UHFFFAOYSA-N 0 1 244.294 2.372 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccccc1F)C1CC1 ZINC000262262688 135288266 /nfs/dbraw/zinc/28/82/66/135288266.db2.gz RIEKAKCGYLRSSQ-SECBINFHSA-N 0 1 237.274 2.263 20 0 BEADMN CCc1csc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000342561260 135288638 /nfs/dbraw/zinc/28/86/38/135288638.db2.gz VOMCWMDYKAZJLP-UWVGGRQHSA-N 0 1 239.388 2.234 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000262280873 135289641 /nfs/dbraw/zinc/28/96/41/135289641.db2.gz VRJNDDMBQLFBLU-VIFPVBQESA-N 0 1 237.274 2.263 20 0 BEADMN CCc1csc(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000342561262 135289781 /nfs/dbraw/zinc/28/97/81/135289781.db2.gz VOMCWMDYKAZJLP-ZJUUUORDSA-N 0 1 239.388 2.234 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1F ZINC000262740421 135316152 /nfs/dbraw/zinc/31/61/52/135316152.db2.gz AGXSSTQTYOMTAI-NSHDSACASA-N 0 1 237.274 2.183 20 0 BEADMN CC[C@H]1CCCCN1Cc1ncc(C)n1C ZINC000342790579 135318424 /nfs/dbraw/zinc/31/84/24/135318424.db2.gz AJQXEPHGLIRNGT-LBPRGKRZSA-N 0 1 221.348 2.493 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@@H](C)C2)n1C ZINC000342793620 135319353 /nfs/dbraw/zinc/31/93/53/135319353.db2.gz RCQQQROFHKGYBD-MNOVXSKESA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cnc(CN(C)CC(C)(C)C)n1C ZINC000342796673 135321402 /nfs/dbraw/zinc/32/14/02/135321402.db2.gz LFFQKIOBFVRLDQ-UHFFFAOYSA-N 0 1 209.337 2.206 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1C1CC(CC)C1 ZINC000342770395 135326370 /nfs/dbraw/zinc/32/63/70/135326370.db2.gz WXXVXGIKIZURQG-MCIGGMRASA-N 0 1 225.332 2.203 20 0 BEADMN Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000263144872 135335817 /nfs/dbraw/zinc/33/58/17/135335817.db2.gz DYIIGWJNDFYGJF-TZMCWYRMSA-N 0 1 247.338 2.190 20 0 BEADMN C[C@@H]1CCN(Cc2ncnn2C(C)(C)C)[C@@H]1C ZINC000334286734 135339785 /nfs/dbraw/zinc/33/97/85/135339785.db2.gz HIIUOFUBVMPQHJ-GHMZBOCLSA-N 0 1 236.363 2.263 20 0 BEADMN O=C(C[C@@H]1C=CCC1)N1CCN(C2CCC2)CC1 ZINC000334293724 135341522 /nfs/dbraw/zinc/34/15/22/135341522.db2.gz RAZOUXFPXCPTEH-CYBMUJFWSA-N 0 1 248.370 2.039 20 0 BEADMN c1n[nH]c2cc(CCNc3ncccn3)ccc12 ZINC000343053894 135345826 /nfs/dbraw/zinc/34/58/26/135345826.db2.gz SWTFGIFRDHEKNU-UHFFFAOYSA-N 0 1 239.282 2.008 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000263313137 135345938 /nfs/dbraw/zinc/34/59/38/135345938.db2.gz GYFOTNFGHNLPQP-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN Cc1ccncc1C[N@H+](C)[C@H]1CCCOC1 ZINC000334301983 135346996 /nfs/dbraw/zinc/34/69/96/135346996.db2.gz ZDNCKXIDEZXELT-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccncc1CN(C)[C@H]1CCCOC1 ZINC000334301983 135346997 /nfs/dbraw/zinc/34/69/97/135346997.db2.gz ZDNCKXIDEZXELT-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1F ZINC000263332640 135347124 /nfs/dbraw/zinc/34/71/24/135347124.db2.gz MMTUDZAGZRNDAF-VIFPVBQESA-N 0 1 225.263 2.039 20 0 BEADMN CCC(C)(C)CC[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263339218 135348091 /nfs/dbraw/zinc/34/80/91/135348091.db2.gz NCOUHQLWQLQHNS-GHMZBOCLSA-N 0 1 227.348 2.465 20 0 BEADMN CCCCC[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263352125 135348906 /nfs/dbraw/zinc/34/89/06/135348906.db2.gz QAUKIWCPYZQPPE-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cnn(C)c1CNc1cc2c(cn1)CCC2 ZINC000334308461 135349596 /nfs/dbraw/zinc/34/95/96/135349596.db2.gz HZZVKZHXZDQIJV-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000334307301 135350110 /nfs/dbraw/zinc/35/01/10/135350110.db2.gz HQJPANRVURFXRF-MNOVXSKESA-N 0 1 249.358 2.382 20 0 BEADMN O=C(c1c(O)cccc1F)N1CCCCCO1 ZINC000334310035 135350595 /nfs/dbraw/zinc/35/05/95/135350595.db2.gz IWVIPJWIABEMPA-UHFFFAOYSA-N 0 1 239.246 2.089 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000263383023 135350608 /nfs/dbraw/zinc/35/06/08/135350608.db2.gz CGVKJEPNAUMWNF-KGYLQXTDSA-N 0 1 233.311 2.195 20 0 BEADMN CC(C)[C@H](C[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000263393819 135351494 /nfs/dbraw/zinc/35/14/94/135351494.db2.gz FZEZPQGIIFXBCB-ZDUSSCGKSA-N 0 1 235.327 2.443 20 0 BEADMN O=C([O-])[C@H]1CCCN1c1cc[nH+]c2ccsc21 ZINC000263403652 135352096 /nfs/dbraw/zinc/35/20/96/135352096.db2.gz JWUSVVUBLPGTAT-SNVBAGLBSA-N 0 1 248.307 2.350 20 0 BEADMN CCc1cccc(F)c1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263449232 135355367 /nfs/dbraw/zinc/35/53/67/135355367.db2.gz ZAPOTTHFPIXROJ-SECBINFHSA-N 0 1 239.290 2.293 20 0 BEADMN C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CC(=O)[O-] ZINC000263449198 135355607 /nfs/dbraw/zinc/35/56/07/135355607.db2.gz YZHGNMIVCZEVIS-JTQLQIEISA-N 0 1 239.290 2.163 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc2occc2c1 ZINC000263447211 135355733 /nfs/dbraw/zinc/35/57/33/135355733.db2.gz YESUAHWHBGEJRG-SECBINFHSA-N 0 1 233.267 2.338 20 0 BEADMN CC[C@H](C)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263532684 135357854 /nfs/dbraw/zinc/35/78/54/135357854.db2.gz XLUGCFBAMSQZCR-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263528504 135358141 /nfs/dbraw/zinc/35/81/41/135358141.db2.gz VHKLKHNIYRWKOH-MLGHIDQZSA-N 0 1 237.343 2.360 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)o1 ZINC000334351501 135369009 /nfs/dbraw/zinc/36/90/09/135369009.db2.gz WFTULFARILSGBW-QWRGUYRKSA-N 0 1 235.331 2.389 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000334356986 135371954 /nfs/dbraw/zinc/37/19/54/135371954.db2.gz ORPASBLSXZSXMK-WCBMZHEXSA-N 0 1 229.283 2.091 20 0 BEADMN O=C(N[C@H]1CC[C@@H](F)C1)c1ccc(F)cc1O ZINC000334368763 135373471 /nfs/dbraw/zinc/37/34/71/135373471.db2.gz MJSJMXWKWLZFQB-APPZFPTMSA-N 0 1 241.237 2.152 20 0 BEADMN CO[C@@H](C)CNc1ccnc(C)c1Cl ZINC000306584909 135375454 /nfs/dbraw/zinc/37/54/54/135375454.db2.gz GVZZRLILXSALSY-ZETCQYMHSA-N 0 1 214.696 2.490 20 0 BEADMN Cc1c[nH]nc1C[N@H+]1CCCC12CCC2 ZINC000334386280 135381944 /nfs/dbraw/zinc/38/19/44/135381944.db2.gz NOAYHPZPSYWZPQ-UHFFFAOYSA-N 0 1 205.305 2.237 20 0 BEADMN CC1CN(Cc2cccc3c2OCCCO3)C1 ZINC000334385445 135382250 /nfs/dbraw/zinc/38/22/50/135382250.db2.gz MZKJYIJZHUGGKG-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccccc21 ZINC000334391418 135386093 /nfs/dbraw/zinc/38/60/93/135386093.db2.gz VCRXDVZXNAYHDX-GFCCVEGCSA-N 0 1 241.338 2.375 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCC[C@H](C)C2)[nH]1 ZINC000334403411 135391986 /nfs/dbraw/zinc/39/19/86/135391986.db2.gz DUMQFVIXEOQDIC-ONGXEEELSA-N 0 1 222.336 2.124 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ncc(C2CC2)o1 ZINC000334404492 135392952 /nfs/dbraw/zinc/39/29/52/135392952.db2.gz FMZQDSWTBBKMPU-WDEREUQCSA-N 0 1 249.358 2.076 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC2CCC2)[C@@H](C)C1 ZINC000334411446 135395491 /nfs/dbraw/zinc/39/54/91/135395491.db2.gz LFJCVSSUZASZFM-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000334605142 135401150 /nfs/dbraw/zinc/40/11/50/135401150.db2.gz XYLDGDONPPQWAQ-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cn1c2ccccc2nc1CN[C@@H]1CC12CC2 ZINC000335284924 136001928 /nfs/dbraw/zinc/00/19/28/136001928.db2.gz NQUWWPJQHCTBMM-GFCCVEGCSA-N 0 1 227.311 2.215 20 0 BEADMN CCCN(CCC)Cc1cn(C(C)C)nn1 ZINC000347659664 136002489 /nfs/dbraw/zinc/00/24/89/136002489.db2.gz ZAABPVNRKCRMFM-UHFFFAOYSA-N 0 1 224.352 2.481 20 0 BEADMN Cc1cc(CN2CC(C)=C[C@@H](C)C2)n(C)n1 ZINC000335298185 136007776 /nfs/dbraw/zinc/00/77/76/136007776.db2.gz HVJXRJSMNCDYCI-SNVBAGLBSA-N 0 1 219.332 2.127 20 0 BEADMN CC(C)n1cc(CN(C)[C@@H](C)C2(C)CC2)nn1 ZINC000347915852 136018306 /nfs/dbraw/zinc/01/83/06/136018306.db2.gz IWUSEVHGVNTLRJ-NSHDSACASA-N 0 1 236.363 2.479 20 0 BEADMN C[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000335311736 136030030 /nfs/dbraw/zinc/03/00/30/136030030.db2.gz VPQFVMXWULQMOE-VXGBXAGGSA-N 0 1 246.345 2.448 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCC[C@H]2c2cc[nH]n2)O1 ZINC000348155043 136040630 /nfs/dbraw/zinc/04/06/30/136040630.db2.gz XRVFQKFSEVPEKF-MDZLAQPJSA-N 0 1 235.331 2.114 20 0 BEADMN CC[C@H](C(=O)OC)N1CCCC2(CCC2)C1 ZINC000348182277 136043720 /nfs/dbraw/zinc/04/37/20/136043720.db2.gz QJVUIAMCDYEWEW-LLVKDONJSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cc(CN2CCSCC[C@H]2C)nn1C ZINC000348183520 136043757 /nfs/dbraw/zinc/04/37/57/136043757.db2.gz MZPJJGNDFPGOLZ-SNVBAGLBSA-N 0 1 239.388 2.056 20 0 BEADMN Cc1nc(CN2CC[C@@H]2c2ccccc2)n[nH]1 ZINC000335337562 136044653 /nfs/dbraw/zinc/04/46/53/136044653.db2.gz WRBYGHFKJAUTQB-GFCCVEGCSA-N 0 1 228.299 2.060 20 0 BEADMN OC[C@H]1C=C[C@H](NCc2sccc2Cl)C1 ZINC000348218985 136046821 /nfs/dbraw/zinc/04/68/21/136046821.db2.gz GZJFNVDBCUTQRT-IUCAKERBSA-N 0 1 243.759 2.428 20 0 BEADMN Cc1ccc(CN[C@@H]2C[C@H]2C(F)F)o1 ZINC000348190277 136048977 /nfs/dbraw/zinc/04/89/77/136048977.db2.gz UUVSTNQNGDUICK-RKDXNWHRSA-N 0 1 201.216 2.331 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@H](C(C)(C)C)C2)[nH]1 ZINC000335323739 136050938 /nfs/dbraw/zinc/05/09/38/136050938.db2.gz FPKYPHJWQDIYAV-JTQLQIEISA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H]1CC[C@H](CN2C[C@@H](C3CC3)O[C@@H](C)C2)O1 ZINC000348206880 136054473 /nfs/dbraw/zinc/05/44/73/136054473.db2.gz SEKYXCDSDYWVDO-WVWOOGAGSA-N 0 1 239.359 2.053 20 0 BEADMN CC(C)c1nc(CN2C[C@H](C)C[C@H](C)C2)n[nH]1 ZINC000335341712 136064335 /nfs/dbraw/zinc/06/43/35/136064335.db2.gz UBNFFPBEGUKEGL-PHIMTYICSA-N 0 1 236.363 2.406 20 0 BEADMN C[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000335350862 136068693 /nfs/dbraw/zinc/06/86/93/136068693.db2.gz JKQHBZRLJSVLED-VIFPVBQESA-N 0 1 229.283 2.045 20 0 BEADMN CC1=CCN(CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC000348340420 136071241 /nfs/dbraw/zinc/07/12/41/136071241.db2.gz AAHDLEZVMZFDKX-AWEZNQCLSA-N 0 1 248.370 2.111 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCC(C)(C)C(C)(C)C ZINC000348471785 136079634 /nfs/dbraw/zinc/07/96/34/136079634.db2.gz ZFZIHQFBTKSZFS-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CCCc1noc(CN2CC[C@@H](C3CC3)C2)n1 ZINC000367036509 136080425 /nfs/dbraw/zinc/08/04/25/136080425.db2.gz HHEDAYSUAVLBLV-LLVKDONJSA-N 0 1 235.331 2.254 20 0 BEADMN Cn1ncc(Cl)c1CNC1CC(C)(F)C1 ZINC000335372916 136084502 /nfs/dbraw/zinc/08/45/02/136084502.db2.gz BYYMZHDCUSXENG-UHFFFAOYSA-N 0 1 231.702 2.054 20 0 BEADMN O=C([O-])CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000335380076 136087288 /nfs/dbraw/zinc/08/72/88/136087288.db2.gz MGIHNLMWKVTBFS-UHFFFAOYSA-N 0 1 245.731 2.234 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000335380076 136087289 /nfs/dbraw/zinc/08/72/89/136087289.db2.gz MGIHNLMWKVTBFS-UHFFFAOYSA-N 0 1 245.731 2.234 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335400719 136094376 /nfs/dbraw/zinc/09/43/76/136094376.db2.gz NWBNRHFASWAGSL-FZMZJTMJSA-N 0 1 233.311 2.123 20 0 BEADMN COc1ccsc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000348556001 136096655 /nfs/dbraw/zinc/09/66/55/136096655.db2.gz OAUUJYKQYPLVME-VHSXEESVSA-N 0 1 241.356 2.102 20 0 BEADMN CCCCc1nc(=O)c2sccc2[nH]1 ZINC000034451787 136105704 /nfs/dbraw/zinc/10/57/04/136105704.db2.gz RNZWWQYDUNAJIT-UHFFFAOYSA-N 0 1 208.286 2.327 20 0 BEADMN C[C@@H]1C[C@@H](C)CN(Cc2cnns2)C1 ZINC000335570595 136109340 /nfs/dbraw/zinc/10/93/40/136109340.db2.gz NHTYETDFGXXBCI-RKDXNWHRSA-N 0 1 211.334 2.016 20 0 BEADMN Cc1ccoc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000335571557 136109914 /nfs/dbraw/zinc/10/99/14/136109914.db2.gz GUYSRBSTOREEPB-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN Cc1ccoc1CN(C)[C@@H]1CCCOC1 ZINC000335571557 136109915 /nfs/dbraw/zinc/10/99/15/136109915.db2.gz GUYSRBSTOREEPB-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN c1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)n[nH]1 ZINC000335579869 136112042 /nfs/dbraw/zinc/11/20/42/136112042.db2.gz LKAALQFEFYDZBI-GFCCVEGCSA-N 0 1 237.372 2.129 20 0 BEADMN c1cc(CN2CCC[C@@]3(CCSC3)C2)n[nH]1 ZINC000335579869 136112043 /nfs/dbraw/zinc/11/20/43/136112043.db2.gz LKAALQFEFYDZBI-GFCCVEGCSA-N 0 1 237.372 2.129 20 0 BEADMN C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@@H](C)C1 ZINC000348670661 136112981 /nfs/dbraw/zinc/11/29/81/136112981.db2.gz JKWOGWRWGAMKKX-OLZOCXBDSA-N 0 1 241.375 2.160 20 0 BEADMN Clc1ccc2c(c1)CN(Cc1c[nH]nn1)CC2 ZINC000335582997 136113204 /nfs/dbraw/zinc/11/32/04/136113204.db2.gz ZOPYLBQWKGCFFW-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN COC(=O)c1ccc(CN2CC(C3CCC3)C2)[nH]1 ZINC000348677389 136113547 /nfs/dbraw/zinc/11/35/47/136113547.db2.gz VDMZEYPOXOMVFD-UHFFFAOYSA-N 0 1 248.326 2.033 20 0 BEADMN COC(=O)c1coc(CN2CC(C3CCC3)C2)c1 ZINC000348674492 136113618 /nfs/dbraw/zinc/11/36/18/136113618.db2.gz OGNIOCAMGREVRW-UHFFFAOYSA-N 0 1 249.310 2.298 20 0 BEADMN CC(=O)c1ccc(O)c(NC(=O)[C@H]2CC23CC3)c1 ZINC000335599426 136114262 /nfs/dbraw/zinc/11/42/62/136114262.db2.gz WZYPGABHGGVCGI-SNVBAGLBSA-N 0 1 245.278 2.333 20 0 BEADMN CCN(Cc1cc(F)c(F)cc1F)C[C@H](C)O ZINC000348699995 136116167 /nfs/dbraw/zinc/11/61/67/136116167.db2.gz BDDVSWUSVHXSMS-QMMMGPOBSA-N 0 1 247.260 2.307 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CCCOC2)o1 ZINC000348706987 136116754 /nfs/dbraw/zinc/11/67/54/136116754.db2.gz IPCZVKKDZLNOGY-LLVKDONJSA-N 0 1 223.316 2.453 20 0 BEADMN COC(=O)c1cc(CN2CC(C3CCC3)C2)c[nH]1 ZINC000348709789 136117141 /nfs/dbraw/zinc/11/71/41/136117141.db2.gz NHHVOIAOEFAJNL-UHFFFAOYSA-N 0 1 248.326 2.033 20 0 BEADMN CCc1ncc(CNC(=O)C2CCCCC2)[nH]1 ZINC001646317575 1172728713 /nfs/dbraw/zinc/72/87/13/1172728713.db2.gz LTNIDOBOIPDKSU-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)C1CCCC1 ZINC000644087147 397754604 /nfs/dbraw/zinc/75/46/04/397754604.db2.gz SIEAWAMQIFGZJL-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN COC(C)(C)[C@H](C)NCc1cscn1 ZINC000300887834 397780484 /nfs/dbraw/zinc/78/04/84/397780484.db2.gz BBPJNJALMQSXSK-QMMMGPOBSA-N 0 1 214.334 2.046 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C ZINC000177009087 397839597 /nfs/dbraw/zinc/83/95/97/397839597.db2.gz KSRGGPGJLDPGAO-BDAKNGLRSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cnccc2N(C)C)[C@H]1C ZINC000183851683 397868050 /nfs/dbraw/zinc/86/80/50/397868050.db2.gz SGZYMFXJZBPDIO-MNOVXSKESA-N 0 1 247.342 2.018 20 0 BEADMN CN(Cc1cnc2ccccc2c1)[C@@H]1CCOC1 ZINC000271165739 397965345 /nfs/dbraw/zinc/96/53/45/397965345.db2.gz NNELYOZWHLXZKC-CQSZACIVSA-N 0 1 242.322 2.456 20 0 BEADMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000265576477 397934279 /nfs/dbraw/zinc/93/42/79/397934279.db2.gz BXUVNHUAZMPUTM-CMPLNLGQSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccccc1 ZINC000650145604 397943108 /nfs/dbraw/zinc/94/31/08/397943108.db2.gz NSONAMCSMKGIAN-JHJVBQTASA-N 0 1 246.354 2.240 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccccc1 ZINC000650145604 397943111 /nfs/dbraw/zinc/94/31/11/397943111.db2.gz NSONAMCSMKGIAN-JHJVBQTASA-N 0 1 246.354 2.240 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650145413 397943345 /nfs/dbraw/zinc/94/33/45/397943345.db2.gz KRYTYKBVKKSVCA-GRYCIOLGSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@H](N[C@@H](CO)c1c(F)cccc1F)C1CC1 ZINC000267269709 397945080 /nfs/dbraw/zinc/94/50/80/397945080.db2.gz RXCLNCQSVLMMRV-UFBFGSQYSA-N 0 1 241.281 2.386 20 0 BEADMN C[C@@H]1[C@@H](C)N(C(=O)CCC2CC2)[C@@H](C)CN1C ZINC000650152052 397946287 /nfs/dbraw/zinc/94/62/87/397946287.db2.gz YIETYFREWFVMIM-QJPTWQEYSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1ccc([C@@H]2CCCN2[C@H](C)C(N)=O)s1 ZINC000359060902 397947804 /nfs/dbraw/zinc/94/78/04/397947804.db2.gz ATVYNBMBDXEOPB-ZJUUUORDSA-N 0 1 238.356 2.067 20 0 BEADMN C[C@H]1CN(Cc2cc3n(n2)CCC3)CC[C@@H]1C ZINC000649572154 397959975 /nfs/dbraw/zinc/95/99/75/397959975.db2.gz LRVKETDBGQZEBV-RYUDHWBXSA-N 0 1 233.359 2.307 20 0 BEADMN CC[C@H]1CN(CCOC(C)(C)C)C[C@H](C)O1 ZINC000111276141 397906713 /nfs/dbraw/zinc/90/67/13/397906713.db2.gz OGEGSWHDRIWVCG-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@@H]1C[C@H]1c1nc([C@H]2CCCN2)no1 ZINC000387583691 397918942 /nfs/dbraw/zinc/91/89/42/397918942.db2.gz NWQRSGFKOWJVGI-IWSPIJDZSA-N 0 1 207.277 2.008 20 0 BEADMN C[C@H](NCC(F)(F)CO)[C@H]1CC2CCC1CC2 ZINC000382188068 397920031 /nfs/dbraw/zinc/92/00/31/397920031.db2.gz QYXRAYOCYMEINS-WNYYMSAVSA-N 0 1 247.329 2.418 20 0 BEADMN Cc1nnsc1CN1CC[C@H](c2ccco2)C1 ZINC000649528071 397920452 /nfs/dbraw/zinc/92/04/52/397920452.db2.gz ZZPBTOBQYQPAIT-JTQLQIEISA-N 0 1 249.339 2.429 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CN)o1 ZINC000388702281 397993134 /nfs/dbraw/zinc/99/31/34/397993134.db2.gz OSALQIKCZRQSLJ-KOLCDFICSA-N 0 1 236.315 2.047 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCCC23CCC3)n1 ZINC000373105381 398012844 /nfs/dbraw/zinc/01/28/44/398012844.db2.gz XJQOGDJYOUZRKT-UHFFFAOYSA-N 0 1 247.342 2.263 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCCC23CCC3)n1 ZINC000373105381 398012847 /nfs/dbraw/zinc/01/28/47/398012847.db2.gz XJQOGDJYOUZRKT-UHFFFAOYSA-N 0 1 247.342 2.263 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CCCC23CCC3)n1 ZINC000373105381 398012851 /nfs/dbraw/zinc/01/28/51/398012851.db2.gz XJQOGDJYOUZRKT-UHFFFAOYSA-N 0 1 247.342 2.263 20 0 BEADMN CC(=CC(C)(C)C)C(=O)NCc1ncc[nH]1 ZINC000274690962 398013743 /nfs/dbraw/zinc/01/37/43/398013743.db2.gz PYJNUJNVVJYYDH-VQHVLOKHSA-N 0 1 221.304 2.018 20 0 BEADMN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1cscn1 ZINC000222671183 398022142 /nfs/dbraw/zinc/02/21/42/398022142.db2.gz SZCFTFKSDSIUSB-PTOFAABTSA-N 0 1 238.356 2.361 20 0 BEADMN COc1ncc(CN2CCC23CCCC3)c(C)n1 ZINC000649658420 398027820 /nfs/dbraw/zinc/02/78/20/398027820.db2.gz KEVLJIWRYFAGBA-UHFFFAOYSA-N 0 1 247.342 2.312 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1C1CCCC1 ZINC000048820559 398048519 /nfs/dbraw/zinc/04/85/19/398048519.db2.gz WKHKMKDRSJINEB-GFCCVEGCSA-N 0 1 233.315 2.205 20 0 BEADMN CC[C@@H](F)CN[C@@H](C)c1cnn(CC)c1 ZINC000451889848 397970984 /nfs/dbraw/zinc/97/09/84/397970984.db2.gz NTHJRSZDNCKDBT-GXSJLCMTSA-N 0 1 213.300 2.302 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649587969 397972401 /nfs/dbraw/zinc/97/24/01/397972401.db2.gz XSZQNSWQEPGLGQ-GFCCVEGCSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(F)F ZINC000388540147 397982281 /nfs/dbraw/zinc/98/22/81/397982281.db2.gz CBGXYPAIRDRTJQ-XHNCKOQMSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(F)F ZINC000388540141 397982557 /nfs/dbraw/zinc/98/25/57/397982557.db2.gz CBGXYPAIRDRTJQ-CIUDSAMLSA-N 0 1 207.264 2.045 20 0 BEADMN CC(C)(NCc1csnn1)C1CCC1 ZINC000398233514 397986528 /nfs/dbraw/zinc/98/65/28/397986528.db2.gz URCMJSBGRJECIC-UHFFFAOYSA-N 0 1 211.334 2.206 20 0 BEADMN CC[C@@H](O)CN1CC(C)(CC(F)(F)F)C1 ZINC000453047313 397988136 /nfs/dbraw/zinc/98/81/36/397988136.db2.gz ZMZOKBQZKWWGLA-MRVPVSSYSA-N 0 1 225.254 2.032 20 0 BEADMN Cc1csc(CNC2CC(OC(C)C)C2)n1 ZINC000185856149 398061069 /nfs/dbraw/zinc/06/10/69/398061069.db2.gz QZJMFVPEOJXZDL-UHFFFAOYSA-N 0 1 240.372 2.497 20 0 BEADMN CC(C)n1cncc1CN1CCCOC[C@H]1C ZINC000644901195 398092421 /nfs/dbraw/zinc/09/24/21/398092421.db2.gz CEDOHYYGQRZSDP-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCCCO2)[C@@H](C)CO1 ZINC000649730060 398067669 /nfs/dbraw/zinc/06/76/69/398067669.db2.gz KHQWUHXRHWXXBM-YNEHKIRRSA-N 0 1 227.348 2.055 20 0 BEADMN CCc1nnc(NC(=O)C[C@@H]2C=CCCC2)[nH]1 ZINC000186552333 398068132 /nfs/dbraw/zinc/06/81/32/398068132.db2.gz YCVQRPDEINENJQ-SECBINFHSA-N 0 1 234.303 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@@H]2C=CCCC2)n1 ZINC000186552333 398068137 /nfs/dbraw/zinc/06/81/37/398068137.db2.gz YCVQRPDEINENJQ-SECBINFHSA-N 0 1 234.303 2.052 20 0 BEADMN CN(CC(C)(C)C)C(=O)c1ccc2cncn2c1 ZINC000283249941 398070088 /nfs/dbraw/zinc/07/00/88/398070088.db2.gz BGZNSDRPRNABPQ-UHFFFAOYSA-N 0 1 245.326 2.452 20 0 BEADMN CC[C@H]1CN(CCOCC2CCC2)[C@H](C)CO1 ZINC000649736801 398078979 /nfs/dbraw/zinc/07/89/79/398078979.db2.gz JNHOWGDMPQRDAX-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H](COC)N[C@@H](C)c1c(F)cncc1F ZINC000285657810 398080023 /nfs/dbraw/zinc/08/00/23/398080023.db2.gz LZIOLTPVAWABAD-IUCAKERBSA-N 0 1 244.285 2.435 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)[C@@H](C)CC(=O)[O-])c1 ZINC000516585201 398080203 /nfs/dbraw/zinc/08/02/03/398080203.db2.gz KRYHRPCVGRJGEX-JTQLQIEISA-N 0 1 239.290 2.429 20 0 BEADMN CC1(C)CN(CCO)[C@H]1c1cccs1 ZINC000287132842 398082702 /nfs/dbraw/zinc/08/27/02/398082702.db2.gz ZYGNNAIBNHSDOP-JTQLQIEISA-N 0 1 211.330 2.123 20 0 BEADMN [O-]c1cccc(C[NH2+]CCCF)c1Cl ZINC000328442421 398082848 /nfs/dbraw/zinc/08/28/48/398082848.db2.gz HCDITNSBEVXZQW-UHFFFAOYSA-N 0 1 217.671 2.495 20 0 BEADMN CCC(O)(CC)CN(C)Cc1ccns1 ZINC000404373087 398084696 /nfs/dbraw/zinc/08/46/96/398084696.db2.gz CPTPVMKTNKUAMY-UHFFFAOYSA-N 0 1 228.361 2.126 20 0 BEADMN FC(F)(F)CCNCc1ccns1 ZINC000404425448 398085469 /nfs/dbraw/zinc/08/54/69/398085469.db2.gz YMNIBBRKBDISSJ-UHFFFAOYSA-N 0 1 210.224 2.185 20 0 BEADMN CCN(Cc1cncc(F)c1)[C@H]1CCCOC1 ZINC000649755064 398085505 /nfs/dbraw/zinc/08/55/05/398085505.db2.gz DEQVNSNEOZFXSD-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(Cc1oc(C)nc1C)[C@@H]1CCCOC1 ZINC000649755744 398085898 /nfs/dbraw/zinc/08/58/98/398085898.db2.gz WSNPNXKOMUMAES-GFCCVEGCSA-N 0 1 238.331 2.292 20 0 BEADMN CCN(Cc1cnc(C)s1)[C@H]1CCCOC1 ZINC000649755358 398085951 /nfs/dbraw/zinc/08/59/51/398085951.db2.gz MBVXHDSNMIYXOB-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN FC1(F)CC12CCN(Cc1ncc[nH]1)CC2 ZINC000649775464 398095640 /nfs/dbraw/zinc/09/56/40/398095640.db2.gz ITQCMNZVOCKALO-UHFFFAOYSA-N 0 1 227.258 2.031 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CCC[C@@H](C)C2)n[nH]1 ZINC000607650559 398052305 /nfs/dbraw/zinc/05/23/05/398052305.db2.gz RWZAFVWMPLYYAB-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCC(F)(F)CO ZINC000184710541 398052328 /nfs/dbraw/zinc/05/23/28/398052328.db2.gz JSYDWYSHBFLVBO-AXFHLTTASA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@@H]1COC(C)(C)CN1Cc1ccncc1 ZINC000649715657 398056730 /nfs/dbraw/zinc/05/67/30/398056730.db2.gz IDWQDPBKVZMQSO-CYBMUJFWSA-N 0 1 234.343 2.471 20 0 BEADMN C[C@H]1OCC[C@@]12CN(Cc1ccccc1)CCO2 ZINC000280516009 398056825 /nfs/dbraw/zinc/05/68/25/398056825.db2.gz ROWYRTZUOFIPLL-UKRRQHHQSA-N 0 1 247.338 2.066 20 0 BEADMN CC/C=C\CNCc1cnc(OC)s1 ZINC000384727025 398103702 /nfs/dbraw/zinc/10/37/02/398103702.db2.gz IMSWSBQWSSGBKE-PLNGDYQASA-N 0 1 212.318 2.208 20 0 BEADMN O=C(NC1CCCCCC1)c1[nH]nc2c1CCC2 ZINC000049679131 398119534 /nfs/dbraw/zinc/11/95/34/398119534.db2.gz WYPVHTKHPKYHNL-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN CCn1cc(CN(Cc2cnc[nH]2)C(C)C)cn1 ZINC000649814181 398119576 /nfs/dbraw/zinc/11/95/76/398119576.db2.gz CTMLXJXXNSVCCC-UHFFFAOYSA-N 0 1 247.346 2.037 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CCC[C@H]1CF ZINC000294040088 398121217 /nfs/dbraw/zinc/12/12/17/398121217.db2.gz KNKDPIHGHGXTPC-VIFPVBQESA-N 0 1 247.273 2.137 20 0 BEADMN Cc1nc(CN2CCc3c2cccc3Cl)n[nH]1 ZINC000293146882 398113606 /nfs/dbraw/zinc/11/36/06/398113606.db2.gz MEZIEFOYEOKHLG-UHFFFAOYSA-N 0 1 248.717 2.329 20 0 BEADMN C[C@@H](NC[C@@H](O)C1CCCCC1)c1ccon1 ZINC000355316058 398124846 /nfs/dbraw/zinc/12/48/46/398124846.db2.gz NFGWEFQXUUQCEV-ZWNOBZJWSA-N 0 1 238.331 2.266 20 0 BEADMN CC[C@H](N[C@H](C)c1nc(C)no1)C(C)C ZINC000336741280 398127904 /nfs/dbraw/zinc/12/79/04/398127904.db2.gz VKVVSSHXZSMXTB-SCZZXKLOSA-N 0 1 211.309 2.463 20 0 BEADMN CC(C)c1ocnc1CN1[C@H](C)CC[C@@H]1CO ZINC001648169126 1172807997 /nfs/dbraw/zinc/80/79/97/1172807997.db2.gz RAXIEIIBQXHHJB-GHMZBOCLSA-N 0 1 238.331 2.143 20 0 BEADMN Cc1cc([C@H]2CCCCN2Cc2ccon2)n[nH]1 ZINC001648429729 1172833465 /nfs/dbraw/zinc/83/34/65/1172833465.db2.gz QLGYLPGGSCIGOQ-CYBMUJFWSA-N 0 1 246.314 2.433 20 0 BEADMN CCCCC1(NC(=O)CCc2cc(C)[nH]n2)CC1 ZINC001648540085 1172847064 /nfs/dbraw/zinc/84/70/64/1172847064.db2.gz PMDZHWLOLIBQIF-UHFFFAOYSA-N 0 1 249.358 2.490 20 0 BEADMN c1csc(CNC2([C@H]3CCCO3)CCC2)n1 ZINC001648625297 1172856709 /nfs/dbraw/zinc/85/67/09/1172856709.db2.gz YVQZEWPPCGEMNP-SNVBAGLBSA-N 0 1 238.356 2.334 20 0 BEADMN CC(C)(C)CCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000300936827 487558756 /nfs/dbraw/zinc/55/87/56/487558756.db2.gz VQJVFXQSUAZPIZ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](OCC)C1 ZINC000227882468 487561879 /nfs/dbraw/zinc/56/18/79/487561879.db2.gz XOJGWEIUOPFATR-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN COc1ccccc1C=CCNCc1cc[nH]n1 ZINC001648755263 1172869900 /nfs/dbraw/zinc/86/99/00/1172869900.db2.gz LEIWBIDZCJBQQO-GQCTYLIASA-N 0 1 243.310 2.221 20 0 BEADMN C[C@H]1C[C@H](Oc2nccc(=O)[nH]2)C[C@@H](C)C1 ZINC001226324760 974856825 /nfs/dbraw/zinc/85/68/25/974856825.db2.gz UQHRWCSEQCBXLL-MYJAWHEDSA-N 0 1 222.288 2.386 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000382986915 487574443 /nfs/dbraw/zinc/57/44/43/487574443.db2.gz WJLHBOAVOZSHQW-BDAKNGLRSA-N 0 1 247.285 2.359 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1cscn1 ZINC000222671063 322901719 /nfs/dbraw/zinc/90/17/19/322901719.db2.gz SZCFTFKSDSIUSB-MKPLZMMCSA-N 0 1 238.356 2.361 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC2(CC2)C1 ZINC000334878923 487578432 /nfs/dbraw/zinc/57/84/32/487578432.db2.gz MLSOPYOYWVLSTR-UHFFFAOYSA-N 0 1 233.315 2.078 20 0 BEADMN CC(C)OCCCN[C@@H](C)c1ccon1 ZINC000308884833 167224179 /nfs/dbraw/zinc/22/41/79/167224179.db2.gz VKOOAEDNMQXUKG-JTQLQIEISA-N 0 1 212.293 2.140 20 0 BEADMN Cc1noc(C)c1[C@@H](C)NCCOCC1CC1 ZINC000680381460 487580199 /nfs/dbraw/zinc/58/01/99/487580199.db2.gz SNWOENHMZUIISF-SECBINFHSA-N 0 1 238.331 2.369 20 0 BEADMN C=Cc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1 ZINC001651143023 1172925907 /nfs/dbraw/zinc/92/59/07/1172925907.db2.gz ANIOABACFFKIJF-UHFFFAOYSA-N 0 1 241.294 2.325 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccoc1 ZINC000556434739 322912536 /nfs/dbraw/zinc/91/25/36/322912536.db2.gz UEQSXPNMGXXVIL-CYZMBNFOSA-N 0 1 248.326 2.084 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)C1CCCC1 ZINC000074852752 487584783 /nfs/dbraw/zinc/58/47/83/487584783.db2.gz QOXDEZOBLJILLY-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN CCn1ccc(CNC[C@@H]2C(C)(C)C2(F)F)n1 ZINC001651363724 1172947043 /nfs/dbraw/zinc/94/70/43/1172947043.db2.gz LSFDPNUZRXODJN-SNVBAGLBSA-N 0 1 243.301 2.284 20 0 BEADMN Cc1ccc2sc(NCc3c[nH]nn3)nc2c1 ZINC001651586184 1172961801 /nfs/dbraw/zinc/96/18/01/1172961801.db2.gz UFXZCVMDWXOHJH-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN Cc1c[nH]c(=O)c(CNCc2ccncc2C)c1 ZINC001651645814 1172969192 /nfs/dbraw/zinc/96/91/92/1172969192.db2.gz BHQZILFHJWPGTM-UHFFFAOYSA-N 0 1 243.310 2.089 20 0 BEADMN COc1cccc(OC)c1CNCCC(F)F ZINC001651679815 1172975159 /nfs/dbraw/zinc/97/51/59/1172975159.db2.gz UKGHOWUZMJAYNG-UHFFFAOYSA-N 0 1 245.269 2.449 20 0 BEADMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)[C@H](C)O ZINC000531276565 487600879 /nfs/dbraw/zinc/60/08/79/487600879.db2.gz PNVHJBOSTJVZGP-DTWKUNHWSA-N 0 1 249.339 2.333 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOCC3)cn1 ZINC000335152127 487602531 /nfs/dbraw/zinc/60/25/31/487602531.db2.gz AVHWLHNQXBESDE-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000306258858 487607398 /nfs/dbraw/zinc/60/73/98/487607398.db2.gz RNIXDHXZRYDNDA-MRVPVSSYSA-N 0 1 245.731 2.308 20 0 BEADMN CC(C)SCCN1CCOC[C@H]1C1CC1 ZINC000374910752 167325304 /nfs/dbraw/zinc/32/53/04/167325304.db2.gz KGCOXUZJACTVCO-LBPRGKRZSA-N 0 1 229.389 2.239 20 0 BEADMN CC(C)SCCN1CCOC[C@@H]1C1CC1 ZINC000374910751 167326041 /nfs/dbraw/zinc/32/60/41/167326041.db2.gz KGCOXUZJACTVCO-GFCCVEGCSA-N 0 1 229.389 2.239 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@@H]2COC(C)(C)C2)nc1 ZINC000660683368 409543260 /nfs/dbraw/zinc/54/32/60/409543260.db2.gz CCYPOUDFTAGNBI-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2COC(C)(C)C2)nc1 ZINC000660683368 409543266 /nfs/dbraw/zinc/54/32/66/409543266.db2.gz CCYPOUDFTAGNBI-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN CO[C@H]1C[C@H](NCc2coc(C)n2)C12CCC2 ZINC000660780172 409738661 /nfs/dbraw/zinc/73/86/61/409738661.db2.gz ZMAUUWYNERQPEC-RYUDHWBXSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@H]1CCCCN1C ZINC000655266728 409769062 /nfs/dbraw/zinc/76/90/62/409769062.db2.gz MMYNJMIAZSAAFY-DYEKYZERSA-N 0 1 238.375 2.022 20 0 BEADMN COC1([C@H](C)NCc2coc(C)n2)CCC1 ZINC000660805448 409769994 /nfs/dbraw/zinc/76/99/94/409769994.db2.gz MWGPXMOFWIWSJQ-VIFPVBQESA-N 0 1 224.304 2.030 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH]1 ZINC000660824583 409801289 /nfs/dbraw/zinc/80/12/89/409801289.db2.gz OLJBILMUWLWHCM-VLEAKVRGSA-N 0 1 236.363 2.404 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000308786270 409905656 /nfs/dbraw/zinc/90/56/56/409905656.db2.gz GGCVBOWZXKTACA-NXEZZACHSA-N 0 1 215.337 2.464 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000238803997 487611951 /nfs/dbraw/zinc/61/19/51/487611951.db2.gz NEZQQUCJZQVTGG-ZYHUDNBSSA-N 0 1 219.284 2.124 20 0 BEADMN C[C@@H](COCC1CC1)NCc1nccs1 ZINC000651982100 410123314 /nfs/dbraw/zinc/12/33/14/410123314.db2.gz LXMSBUAGVAWOFM-VIFPVBQESA-N 0 1 226.345 2.048 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)Nc1cc(C)on1 ZINC000661105499 410243419 /nfs/dbraw/zinc/24/34/19/410243419.db2.gz IKQUVWBZWWRDPP-SECBINFHSA-N 0 1 239.319 2.042 20 0 BEADMN Cc1ccc(N[C@@H](C)c2n[nH]c(C(C)C)n2)nn1 ZINC000663753986 410323597 /nfs/dbraw/zinc/32/35/97/410323597.db2.gz KMUKPFGJLZRDLS-VIFPVBQESA-N 0 1 246.318 2.200 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1Cc2ccccc2C1 ZINC000650806172 410514025 /nfs/dbraw/zinc/51/40/25/410514025.db2.gz SISNNXSOUHGZNI-CQSZACIVSA-N 0 1 247.338 2.196 20 0 BEADMN COC(=O)c1cc(NCc2cnc[nH]2)ccc1C ZINC001652077407 1173028933 /nfs/dbraw/zinc/02/89/33/1173028933.db2.gz NNTJQIJHBCDVMW-UHFFFAOYSA-N 0 1 245.282 2.117 20 0 BEADMN Cc1nc(CN2CC[C@@H]2c2ccc(F)cc2)n[nH]1 ZINC000661515642 410722703 /nfs/dbraw/zinc/72/27/03/410722703.db2.gz YWXZTUILLPOXNQ-GFCCVEGCSA-N 0 1 246.289 2.199 20 0 BEADMN Cc1cc(CNCCC(C)(F)F)on1 ZINC000393637619 410753012 /nfs/dbraw/zinc/75/30/12/410753012.db2.gz LWLQTCGBVVYMIA-UHFFFAOYSA-N 0 1 204.220 2.118 20 0 BEADMN c1cnc(CN2CC[C@@H](C3CCC3)C2)nc1 ZINC000665290288 410776944 /nfs/dbraw/zinc/77/69/44/410776944.db2.gz SGRXECDXHRZWCJ-GFCCVEGCSA-N 0 1 217.316 2.099 20 0 BEADMN CCCC(C)(C)C(=O)NCc1cn[nH]c1C ZINC000651072461 410781609 /nfs/dbraw/zinc/78/16/09/410781609.db2.gz RQYFXMUZZAJMCB-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CC[C@@H]1CCCC[C@H]1CNC(=O)[C@H](C)N(C)C ZINC000651005415 410749985 /nfs/dbraw/zinc/74/99/85/410749985.db2.gz XMRINLKFWVPFGL-XQQFMLRXSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000395005587 410834101 /nfs/dbraw/zinc/83/41/01/410834101.db2.gz JAWFCQBELLEINZ-SOCHQFKDSA-N 0 1 226.345 2.107 20 0 BEADMN CC(C)C[C@@H](CO)NCc1c(F)cccc1F ZINC000040773235 410888457 /nfs/dbraw/zinc/88/84/57/410888457.db2.gz NYUNTFDXCIVTFP-JTQLQIEISA-N 0 1 243.297 2.461 20 0 BEADMN CC(C)NC(=O)CN1CCc2ccccc2[C@H]1C ZINC000170954628 167054560 /nfs/dbraw/zinc/05/45/60/167054560.db2.gz VVGGIFNXYBJGSA-GFCCVEGCSA-N 0 1 246.354 2.130 20 0 BEADMN CC(C)NC(=O)CNCc1ccc(Cl)s1 ZINC000035148316 167058426 /nfs/dbraw/zinc/05/84/26/167058426.db2.gz UELCYYXHRXDMOF-UHFFFAOYSA-N 0 1 246.763 2.016 20 0 BEADMN CC(C)NC(=O)CN[C@H](C)c1cccc(F)c1 ZINC000035133026 167061039 /nfs/dbraw/zinc/06/10/39/167061039.db2.gz KVAWKLUWBKQWPF-SNVBAGLBSA-N 0 1 238.306 2.001 20 0 BEADMN CC(C)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC000278700146 167090501 /nfs/dbraw/zinc/09/05/01/167090501.db2.gz RLCXGAGCBSUGTD-UHFFFAOYSA-N 0 1 237.690 2.355 20 0 BEADMN CC(C)N[C@H](C)c1c(F)cncc1F ZINC000285753962 167138511 /nfs/dbraw/zinc/13/85/11/167138511.db2.gz QZITVYPRKHGSAO-SSDOTTSWSA-N 0 1 200.232 2.419 20 0 BEADMN CC(C)OCCNCc1cccc(F)c1F ZINC000134117637 167242303 /nfs/dbraw/zinc/24/23/03/167242303.db2.gz LTTUUOPZSMCUHE-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN CC(C)OC[C@H](C)Nc1ccc2nn[nH]c2c1 ZINC000337307579 167267577 /nfs/dbraw/zinc/26/75/77/167267577.db2.gz SNZNJDVWWXUICK-VIFPVBQESA-N 0 1 234.303 2.183 20 0 BEADMN CC(C)OC[C@H](C)Nc1ccc2n[nH]nc2c1 ZINC000337307579 167267579 /nfs/dbraw/zinc/26/75/79/167267579.db2.gz SNZNJDVWWXUICK-VIFPVBQESA-N 0 1 234.303 2.183 20 0 BEADMN CC(C)ONC(=O)c1ccc(Cl)cc1O ZINC000294049059 167279046 /nfs/dbraw/zinc/27/90/46/167279046.db2.gz JFZXUIJLCATHPF-UHFFFAOYSA-N 0 1 229.663 2.115 20 0 BEADMN CC(C)[C@@H](C(=O)Nc1ccccc1F)N(C)C ZINC000106407896 167344936 /nfs/dbraw/zinc/34/49/36/167344936.db2.gz NXDUJBWMPJTRNF-LBPRGKRZSA-N 0 1 238.306 2.350 20 0 BEADMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)nc1 ZINC000397493800 410923462 /nfs/dbraw/zinc/92/34/62/410923462.db2.gz NTBPBNGOJDKFAP-VXGBXAGGSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)n[nH]1 ZINC000651340755 410923510 /nfs/dbraw/zinc/92/35/10/410923510.db2.gz ILURNDFARFNGSV-CHWSQXEVSA-N 0 1 247.342 2.161 20 0 BEADMN C[C@H](C1CC1)N1N=C(c2ccccc2)CC1=O ZINC000104173775 410925928 /nfs/dbraw/zinc/92/59/28/410925928.db2.gz WCRLRNSZEUVMKE-SNVBAGLBSA-N 0 1 228.295 2.422 20 0 BEADMN CC(C)[C@H]1CCC[C@H]1NCC(F)(F)CO ZINC000336760960 167476291 /nfs/dbraw/zinc/47/62/91/167476291.db2.gz MQOMLWVQMBSTKI-NXEZZACHSA-N 0 1 221.291 2.028 20 0 BEADMN Cc1cc(F)c(CN[C@H](CO)CCF)c(F)c1 ZINC000652017237 410983354 /nfs/dbraw/zinc/98/33/54/410983354.db2.gz RCNDOLCUMVCOFH-VIFPVBQESA-N 0 1 247.260 2.083 20 0 BEADMN OC[C@@H](CCF)NCc1ccsc1Cl ZINC000652018741 410996041 /nfs/dbraw/zinc/99/60/41/410996041.db2.gz BDZACRQJYAMKRJ-MRVPVSSYSA-N 0 1 237.727 2.212 20 0 BEADMN OC[C@H](CCF)NCc1cc(Cl)ccc1F ZINC000652018745 410996294 /nfs/dbraw/zinc/99/62/94/410996294.db2.gz BNZJEWNWBZVZRZ-JTQLQIEISA-N 0 1 249.688 2.289 20 0 BEADMN Cc1ccnc(N2N=C3CCCC[C@@H]3C2=O)c1 ZINC000105762399 411071353 /nfs/dbraw/zinc/07/13/53/411071353.db2.gz OQZHQRIOELJGPA-JTQLQIEISA-N 0 1 229.283 2.283 20 0 BEADMN c1c2cnccc2oc1CN1CCCOCC1 ZINC000651620776 411131253 /nfs/dbraw/zinc/13/12/53/411131253.db2.gz RVNVACMPOXLANE-UHFFFAOYSA-N 0 1 232.283 2.050 20 0 BEADMN COCC1(NCc2ccc(OC)cc2F)CC1 ZINC000651738395 411140250 /nfs/dbraw/zinc/14/02/50/411140250.db2.gz LKLDSZNHKPQGCB-UHFFFAOYSA-N 0 1 239.290 2.103 20 0 BEADMN C[C@@H](CF)NCc1cc2cnccc2o1 ZINC000651812280 411144939 /nfs/dbraw/zinc/14/49/39/411144939.db2.gz SPEILIBUVWJFPG-QMMMGPOBSA-N 0 1 208.236 2.275 20 0 BEADMN CC(C)CCN(C)C(=O)c1ccc2[nH]nnc2c1 ZINC000045472947 411147203 /nfs/dbraw/zinc/14/72/03/411147203.db2.gz HJVLGFPDBJVFHT-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN COc1nccnc1CN1CCC12CCCC2 ZINC000651873064 411148411 /nfs/dbraw/zinc/14/84/11/411148411.db2.gz PFZWURWZMSPESC-UHFFFAOYSA-N 0 1 233.315 2.004 20 0 BEADMN CN(C)c1ncc(CN2CCC23CCCC3)cn1 ZINC000651873483 411148493 /nfs/dbraw/zinc/14/84/93/411148493.db2.gz JPCNWKIFAVUETH-UHFFFAOYSA-N 0 1 246.358 2.061 20 0 BEADMN Cc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1 ZINC000109279566 411149827 /nfs/dbraw/zinc/14/98/27/411149827.db2.gz NLYCILNZLYHUNC-UHFFFAOYSA-N 0 1 214.268 2.498 20 0 BEADMN FC1(F)CC(c2nc([C@@H]3CCCN3)no2)C1 ZINC000383322400 411150938 /nfs/dbraw/zinc/15/09/38/411150938.db2.gz SGSRKVGZWCOFFD-ZETCQYMHSA-N 0 1 229.230 2.007 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CCC2(CCC2)CC1 ZINC000653673074 411164200 /nfs/dbraw/zinc/16/42/00/411164200.db2.gz IEBSFZAGEJJQLU-LLVKDONJSA-N 0 1 246.358 2.386 20 0 BEADMN CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652759118 411153086 /nfs/dbraw/zinc/15/30/86/411153086.db2.gz XNOCDTSJQDPDHW-TUAOUCFPSA-N 0 1 238.375 2.022 20 0 BEADMN O=C([O-])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655936755 411159540 /nfs/dbraw/zinc/15/95/40/411159540.db2.gz NUQYHSBUECAPDS-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cc(F)c(F)cc1F ZINC000652048272 411099369 /nfs/dbraw/zinc/09/93/69/411099369.db2.gz JKDSLLHWWLAHFW-QMMMGPOBSA-N 0 1 247.260 2.307 20 0 BEADMN FC1(F)C[C@@]12CCN(Cc1cncs1)C2 ZINC000652063729 411103462 /nfs/dbraw/zinc/10/34/62/411103462.db2.gz SZMGMDYFFKYCIN-SECBINFHSA-N 0 1 230.283 2.374 20 0 BEADMN C[C@H](NC1(C2CCC2)CC1)c1nccc(N)n1 ZINC000653778927 411168136 /nfs/dbraw/zinc/16/81/36/411168136.db2.gz ITGHASWMABDVGA-VIFPVBQESA-N 0 1 232.331 2.042 20 0 BEADMN Fc1cccnc1CN[C@H]1COC2(CCC2)C1 ZINC000657933358 411172491 /nfs/dbraw/zinc/17/24/91/411172491.db2.gz TYXRPOCIRSGTRR-SNVBAGLBSA-N 0 1 236.290 2.022 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2=CCCC2)[C@@H](C(=O)[O-])C1 ZINC000401108550 411177221 /nfs/dbraw/zinc/17/72/21/411177221.db2.gz IKEQAJMSJVJREZ-ZYHUDNBSSA-N 0 1 223.316 2.282 20 0 BEADMN Cc1sccc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000656100670 411178209 /nfs/dbraw/zinc/17/82/09/411178209.db2.gz CAPITIXCKRSAGH-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H](C)COCC1CC1 ZINC000652287072 411188511 /nfs/dbraw/zinc/18/85/11/411188511.db2.gz MPEWCRBTAMNLOB-JQWIXIFHSA-N 0 1 249.358 2.251 20 0 BEADMN CCn1ncnc1CN[C@@H](C)C(C)(C)C(F)F ZINC000658000340 411193944 /nfs/dbraw/zinc/19/39/44/411193944.db2.gz ZMVWGDFKSDSNLV-QMMMGPOBSA-N 0 1 246.305 2.067 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000402133663 411198142 /nfs/dbraw/zinc/19/81/42/411198142.db2.gz FMPGUDGMDDWCCX-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1cc(CN[C@H]2CCCn3nccc32)ccn1 ZINC000658025442 411202478 /nfs/dbraw/zinc/20/24/78/411202478.db2.gz CAFPTEUIBZNOPC-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN CC(C)C1CC(N[C@@H]2C[C@H](C)n3ncnc32)C1 ZINC000658099830 411245262 /nfs/dbraw/zinc/24/52/62/411245262.db2.gz DQTBRGNZWXZDPA-WNYYMSAVSA-N 0 1 234.347 2.308 20 0 BEADMN CC[C@H](NCc1ccon1)[C@H]1CCCCO1 ZINC000653872883 411203414 /nfs/dbraw/zinc/20/34/14/411203414.db2.gz HURUOFCMNVRLTC-NWDGAFQWSA-N 0 1 224.304 2.112 20 0 BEADMN C[C@H](Cc1ccoc1)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000658100315 411245669 /nfs/dbraw/zinc/24/56/69/411245669.db2.gz DZFMPRNOASGSSW-JFGNBEQYSA-N 0 1 246.314 2.098 20 0 BEADMN C[C@@H](N[C@@H]1CCCSCC1)c1csnn1 ZINC000658034901 411210557 /nfs/dbraw/zinc/21/05/57/411210557.db2.gz MDROYHYGCLSXAU-RKDXNWHRSA-N 0 1 243.401 2.474 20 0 BEADMN CCc1ccccc1CC[N@@H+](CC(=O)[O-])C1CC1 ZINC000652358554 411216144 /nfs/dbraw/zinc/21/61/44/411216144.db2.gz RDUGCIXFUBQCTR-UHFFFAOYSA-N 0 1 247.338 2.341 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccnc1C ZINC000310165587 411218307 /nfs/dbraw/zinc/21/83/07/411218307.db2.gz JTJPYGJIHHRAGB-SNVBAGLBSA-N 0 1 236.315 2.075 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccnc1C ZINC000310165583 411218435 /nfs/dbraw/zinc/21/84/35/411218435.db2.gz JTJPYGJIHHRAGB-JTQLQIEISA-N 0 1 236.315 2.075 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000652366720 411218842 /nfs/dbraw/zinc/21/88/42/411218842.db2.gz LDWCZPAFZBMZBA-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C[C@@H](C)O)C2CC2)c1 ZINC000653903099 411218989 /nfs/dbraw/zinc/21/89/89/411218989.db2.gz DRCOULBDMVKIQZ-LLVKDONJSA-N 0 1 237.318 2.479 20 0 BEADMN Cc1ccc(F)c(CN(C[C@@H](C)O)C2CC2)c1 ZINC000653903099 411218990 /nfs/dbraw/zinc/21/89/90/411218990.db2.gz DRCOULBDMVKIQZ-LLVKDONJSA-N 0 1 237.318 2.479 20 0 BEADMN CC[C@@H]1CC[C@@H]1N[C@@H]1C[C@H](C)n2ncnc21 ZINC000658101249 411246677 /nfs/dbraw/zinc/24/66/77/411246677.db2.gz JRZLZHJCEIOKLU-ZRUFSTJUSA-N 0 1 220.320 2.062 20 0 BEADMN CCC[C@@H](N[C@H]1CCNC1=O)c1ccsc1 ZINC000658052935 411220208 /nfs/dbraw/zinc/22/02/08/411220208.db2.gz RFRJFQDXWOXCBE-MNOVXSKESA-N 0 1 238.356 2.067 20 0 BEADMN CC(=O)c1cccc(CN(C[C@@H](C)O)C2CC2)c1 ZINC000653904224 411220205 /nfs/dbraw/zinc/22/02/05/411220205.db2.gz PGTCELXCGFPGOF-LLVKDONJSA-N 0 1 247.338 2.234 20 0 BEADMN CC[C@@H](N[C@H]1COC(C)(C)C1)c1nccn1C ZINC000658056403 411222957 /nfs/dbraw/zinc/22/29/57/411222957.db2.gz BHSLVPXEWONAGT-GHMZBOCLSA-N 0 1 237.347 2.028 20 0 BEADMN CNC(C)(C)c1cn(-c2cccc(C)c2)nn1 ZINC000656435028 411247169 /nfs/dbraw/zinc/24/71/69/411247169.db2.gz DQLVSQWATXKVOX-UHFFFAOYSA-N 0 1 230.315 2.030 20 0 BEADMN CC(C)(C)CCNc1ncnc2[nH]cnc21 ZINC000049227562 411229021 /nfs/dbraw/zinc/22/90/21/411229021.db2.gz YBNLSKNMNVBZCQ-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000049252905 411229175 /nfs/dbraw/zinc/22/91/75/411229175.db2.gz POVJFYURSZTEPJ-BXKDBHETSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000049252902 411229831 /nfs/dbraw/zinc/22/98/31/411229831.db2.gz POVJFYURSZTEPJ-CABZTGNLSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CO)C2CCC2)cs1 ZINC000658086605 411236961 /nfs/dbraw/zinc/23/69/61/411236961.db2.gz GLLRZCXTWLXVEU-GZMMTYOYSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1C ZINC000086806931 411261942 /nfs/dbraw/zinc/26/19/42/411261942.db2.gz PSSINQLOBILHRU-NSHDSACASA-N 0 1 235.327 2.456 20 0 BEADMN O=C([O-])[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@H]1C1CC1 ZINC000652514839 411263148 /nfs/dbraw/zinc/26/31/48/411263148.db2.gz DMUYIRAXYDGLEK-RWMBFGLXSA-N 0 1 235.327 2.138 20 0 BEADMN OC/C=C\CN[C@@H]1CCc2c1c(F)ccc2F ZINC000658142669 411265689 /nfs/dbraw/zinc/26/56/89/411265689.db2.gz YHGQSJYNLTUFJS-UDSFMNFJSA-N 0 1 239.265 2.090 20 0 BEADMN c1csc(CCN[C@@H]2CCCn3ccnc32)n1 ZINC000655713718 411267315 /nfs/dbraw/zinc/26/73/15/411267315.db2.gz UMCKXZKVENHFDA-SNVBAGLBSA-N 0 1 248.355 2.007 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](C)C2(CO)CC2)cs1 ZINC000658155799 411268767 /nfs/dbraw/zinc/26/87/67/411268767.db2.gz RBYJWJYRQZELFB-BDAKNGLRSA-N 0 1 240.372 2.263 20 0 BEADMN CCNCc1cn([C@@]2(C)CCCC[C@H]2C)nn1 ZINC000656459170 411268839 /nfs/dbraw/zinc/26/88/39/411268839.db2.gz PZNOOLVEMUAKFR-YPMHNXCESA-N 0 1 236.363 2.313 20 0 BEADMN Cc1cc(C)cc(Cn2ccnc2CN)c1 ZINC000051004105 411269382 /nfs/dbraw/zinc/26/93/82/411269382.db2.gz FDJTWHZYJJTNDK-UHFFFAOYSA-N 0 1 215.300 2.007 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000659786648 411272266 /nfs/dbraw/zinc/27/22/66/411272266.db2.gz UPMZENFYZCPYHI-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H](C)c2nccn2CC)C1 ZINC000658159719 411273339 /nfs/dbraw/zinc/27/33/39/411273339.db2.gz AIXSUELMAMERAT-IJLUTSLNSA-N 0 1 237.347 2.121 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H](C)c2cscn2)C1 ZINC000658160503 411274187 /nfs/dbraw/zinc/27/41/87/411274187.db2.gz FIOSWQAHWXKCQU-OPRDCNLKSA-N 0 1 226.345 2.361 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000658161640 411274848 /nfs/dbraw/zinc/27/48/48/411274848.db2.gz NTDHNMFACOQGOH-BJDJZHNGSA-N 0 1 235.331 2.046 20 0 BEADMN CNC(C)(C)c1cn(-c2cc(C)cc(F)c2)nn1 ZINC000656453682 411276210 /nfs/dbraw/zinc/27/62/10/411276210.db2.gz QZULJKPBNZNCCE-UHFFFAOYSA-N 0 1 248.305 2.169 20 0 BEADMN CC(C)=CCC[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000659790956 411281316 /nfs/dbraw/zinc/28/13/16/411281316.db2.gz VFTFVZWQEXWJKU-SNVBAGLBSA-N 0 1 211.305 2.280 20 0 BEADMN C[C@H](O)CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000649418970 411284164 /nfs/dbraw/zinc/28/41/64/411284164.db2.gz WIRIAZIHVUJOLM-UTLUCORTSA-N 0 1 239.281 2.420 20 0 BEADMN Cc1ccnc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000659791643 411284336 /nfs/dbraw/zinc/28/43/36/411284336.db2.gz QWVLKBVVZUALAH-UHFFFAOYSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cn[nH]c1CN1CC(CC(F)(F)F)C1 ZINC000656688848 411328869 /nfs/dbraw/zinc/32/88/69/411328869.db2.gz XFWWSNJDXOQVFS-UHFFFAOYSA-N 0 1 233.237 2.102 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1sccc1Cl)CC2 ZINC000661723945 411292062 /nfs/dbraw/zinc/29/20/62/411292062.db2.gz ZSDBQBPWEOGBFV-GZMMTYOYSA-N 0 1 243.759 2.358 20 0 BEADMN C[C@@H]1CCC[C@@H](CN[C@@H]2CCCn3ccnc32)O1 ZINC000658214550 411295961 /nfs/dbraw/zinc/29/59/61/411295961.db2.gz BRXLONMYAIKUEA-FRRDWIJNSA-N 0 1 249.358 2.265 20 0 BEADMN CCN(C#N)CCN(C)Cc1ccccc1C ZINC000602756193 411298940 /nfs/dbraw/zinc/29/89/40/411298940.db2.gz LUAOWHBJGZKOIM-UHFFFAOYSA-N 0 1 231.343 2.230 20 0 BEADMN C1[C@@H]2[C@H]1CCC[C@H]2c1nc([C@@H]2CCCN2)no1 ZINC000656560591 411304554 /nfs/dbraw/zinc/30/45/54/411304554.db2.gz BWEFEYJKJKVSCB-ZDCRXTMVSA-N 0 1 233.315 2.398 20 0 BEADMN CCN1CC[C@H](N(C)Cc2ccc(C)cc2)C1=O ZINC000659826611 411309095 /nfs/dbraw/zinc/30/90/95/411309095.db2.gz IUTTXQGJFTXCFJ-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1cccc(C(=O)N2CCNC[C@H]2C(C)C)c1 ZINC000062622132 411310093 /nfs/dbraw/zinc/31/00/93/411310093.db2.gz MUHVNCQJNLOTBK-AWEZNQCLSA-N 0 1 246.354 2.065 20 0 BEADMN Cc1cnccc1CN1CC2(CC(F)C2)C1 ZINC000656693456 411331887 /nfs/dbraw/zinc/33/18/87/411331887.db2.gz BBWFEGAALVAWKC-UHFFFAOYSA-N 0 1 220.291 2.324 20 0 BEADMN Cc1cncc(CCN[C@@H](C)c2cscn2)n1 ZINC000658262946 411318364 /nfs/dbraw/zinc/31/83/64/411318364.db2.gz XFLAFQWZNUOTEM-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccn(C)n1 ZINC000658283211 411321472 /nfs/dbraw/zinc/32/14/72/411321472.db2.gz YPSFUJYPEKKASI-PSASIEDQSA-N 0 1 243.301 2.362 20 0 BEADMN C[C@H](NCC1=CCCC1)c1cnccn1 ZINC000658292651 411326168 /nfs/dbraw/zinc/32/61/68/411326168.db2.gz FMUGSJYGBAQJQU-JTQLQIEISA-N 0 1 203.289 2.238 20 0 BEADMN CC(C)CC[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652469001 411249126 /nfs/dbraw/zinc/24/91/26/411249126.db2.gz ZHSUPDHAEPFNSO-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN O=C([O-])CC[N@@H+](CC1CC1)[C@H]1C=CCCC1 ZINC000652467879 411249231 /nfs/dbraw/zinc/24/92/31/411249231.db2.gz NEPNIDZNFHCVDS-LBPRGKRZSA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000652486596 411255603 /nfs/dbraw/zinc/25/56/03/411255603.db2.gz NZHSHPWELRVLCP-HRDQMINSSA-N 0 1 237.343 2.363 20 0 BEADMN CC[C@H](NC/C=C\CO)c1ccccc1F ZINC000658132752 411255832 /nfs/dbraw/zinc/25/58/32/411255832.db2.gz BFJSXUALHBHJQZ-SZZPACECSA-N 0 1 223.291 2.415 20 0 BEADMN CC(C)C[C@H](NC/C=C/CO)c1ccccn1 ZINC000658132332 411256118 /nfs/dbraw/zinc/25/61/18/411256118.db2.gz HEJYBTMEQJETIK-GJBLVYBDSA-N 0 1 234.343 2.307 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C/CO)c(C)o1 ZINC000658132662 411256827 /nfs/dbraw/zinc/25/68/27/411256827.db2.gz APCRESVROLZNCQ-ORAHPGNNSA-N 0 1 209.289 2.096 20 0 BEADMN CC[C@@H](NC/C=C\CO)c1ccccc1F ZINC000658132746 411256884 /nfs/dbraw/zinc/25/68/84/411256884.db2.gz BFJSXUALHBHJQZ-CFHLNLSMSA-N 0 1 223.291 2.415 20 0 BEADMN COc1ccc([C@H](C)NC/C=C/CO)c(F)c1 ZINC000658133684 411257528 /nfs/dbraw/zinc/25/75/28/411257528.db2.gz RSMZGMCZIIBLPY-FSIBCCDJSA-N 0 1 239.290 2.033 20 0 BEADMN CN(Cc1ncc[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC000660142995 411257698 /nfs/dbraw/zinc/25/76/98/411257698.db2.gz OBENLJGVSPCWOR-SECBINFHSA-N 0 1 229.274 2.277 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655775091 411257809 /nfs/dbraw/zinc/25/78/09/411257809.db2.gz OKJXVRVXMYCBDV-FRRDWIJNSA-N 0 1 249.358 2.264 20 0 BEADMN Cc1ccnc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000652502723 411259764 /nfs/dbraw/zinc/25/97/64/411259764.db2.gz VKSFYYPSRXKJDW-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN C[C@@H](NC/C=C/CO)c1cc(F)c(F)c(F)c1 ZINC000658134908 411259923 /nfs/dbraw/zinc/25/99/23/411259923.db2.gz SEEJXZISARDSTR-UFUPEUMYSA-N 0 1 245.244 2.303 20 0 BEADMN C[C@@H]1COCCCN1Cc1ccc2c(n1)CCC2 ZINC000656441875 411260627 /nfs/dbraw/zinc/26/06/27/411260627.db2.gz AJABLABZUKPIBB-GFCCVEGCSA-N 0 1 246.354 2.181 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cn(C)cn2)CC1 ZINC000659858390 411350191 /nfs/dbraw/zinc/35/01/91/411350191.db2.gz VHLWCIFLUAIIGQ-LLVKDONJSA-N 0 1 207.321 2.042 20 0 BEADMN CCC[N@@H+](CCCC1CCC1)CC(=O)[O-] ZINC000656756057 411350729 /nfs/dbraw/zinc/35/07/29/411350729.db2.gz HJOXLQNXMQKVIQ-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CC1CCCCC1 ZINC000656759325 411354386 /nfs/dbraw/zinc/35/43/86/411354386.db2.gz CIQYVMRREOIQHE-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN Cc1ccoc1CN(C)CCO[C@@H]1CC1(F)F ZINC000660615730 411355190 /nfs/dbraw/zinc/35/51/90/411355190.db2.gz XKYDZMVYSXCPGH-LLVKDONJSA-N 0 1 245.269 2.444 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CCCF)[C@@H]2CCCC[C@@H]12 ZINC000656767887 411363141 /nfs/dbraw/zinc/36/31/41/411363141.db2.gz WMHUJZVNNHIFHI-QJPTWQEYSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)C1CCCC1 ZINC000654312024 411369867 /nfs/dbraw/zinc/36/98/67/411369867.db2.gz BKKPHTYGBUYZHH-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN CO[C@@H](CN1CCOC[C@@H]1C)C1CCCCC1 ZINC000660647744 411370660 /nfs/dbraw/zinc/37/06/60/411370660.db2.gz HIYRLTPIEBKWGU-JSGCOSHPSA-N 0 1 241.375 2.302 20 0 BEADMN C1CCC(c2nc([C@H]3CCCN3)no2)C1 ZINC000070947143 411370818 /nfs/dbraw/zinc/37/08/18/411370818.db2.gz IWOKMFOJXZQSSC-SECBINFHSA-N 0 1 207.277 2.152 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1cccc(C(F)F)c1 ZINC000125011286 411336377 /nfs/dbraw/zinc/33/63/77/411336377.db2.gz YQXHARQCEJMKKU-UHFFFAOYSA-N 0 1 229.226 2.141 20 0 BEADMN Cc1ccccc1NC(=O)CN1CC[C@H]2C[C@H]2C1 ZINC000661971096 411339404 /nfs/dbraw/zinc/33/94/04/411339404.db2.gz HNGHHGGXEIHSKC-STQMWFEESA-N 0 1 244.338 2.275 20 0 BEADMN Cc1ncc(CN(C)[C@@H]2COC(C)(C)C2)s1 ZINC000659845075 411339525 /nfs/dbraw/zinc/33/95/25/411339525.db2.gz HSGQNVSXLWNPEF-JTQLQIEISA-N 0 1 240.372 2.451 20 0 BEADMN CCc1nc([C@@H](C)N(C)Cc2ccoc2C)n[nH]1 ZINC000659852375 411343632 /nfs/dbraw/zinc/34/36/32/411343632.db2.gz LLDAFIQXQWQDOJ-SECBINFHSA-N 0 1 248.330 2.462 20 0 BEADMN COC[C@H](NCc1cc(C2CC2)no1)C(C)C ZINC000660255022 411343667 /nfs/dbraw/zinc/34/36/67/411343667.db2.gz XMNBBAJQSDRGTF-ZDUSSCGKSA-N 0 1 238.331 2.313 20 0 BEADMN CCCCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000062104385 411344929 /nfs/dbraw/zinc/34/49/29/411344929.db2.gz WRAIOGXNXKRJAJ-UHFFFAOYSA-N 0 1 235.331 2.209 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ccncc1Cl ZINC000335624536 168007443 /nfs/dbraw/zinc/00/74/43/168007443.db2.gz GPNYHFOPNKTJKU-LLVKDONJSA-N 0 1 240.734 2.080 20 0 BEADMN CC(C)(C(=O)NCC1(C)CCCC1)c1cnc[nH]1 ZINC000330947507 168028803 /nfs/dbraw/zinc/02/88/03/168028803.db2.gz IGPLSJLJQKEKLP-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN CCCN(CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000659856970 411347435 /nfs/dbraw/zinc/34/74/35/411347435.db2.gz IUCJVCVQCLELOD-SECBINFHSA-N 0 1 210.325 2.160 20 0 BEADMN CC1(CNC(=O)c2n[nH]c3ccccc32)CCC1 ZINC000175090557 168039367 /nfs/dbraw/zinc/03/93/67/168039367.db2.gz ZODBJBHYMWZLLH-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2[C@H](C)O)c(C)o1 ZINC000659905480 411379419 /nfs/dbraw/zinc/37/94/19/411379419.db2.gz ARZAXVAGLYYYQH-TVQRCGJNSA-N 0 1 238.331 2.027 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000191074522 168101933 /nfs/dbraw/zinc/10/19/33/168101933.db2.gz VXBFXEZHMLBRDA-NWDGAFQWSA-N 0 1 234.347 2.229 20 0 BEADMN CC1=CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000270203420 168108305 /nfs/dbraw/zinc/10/83/05/168108305.db2.gz ZEBVTPLPZIMJKV-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN CC1=CCN(CC(=O)N(C(C)C)C(C)C)CC1 ZINC000339627682 168110711 /nfs/dbraw/zinc/11/07/11/168110711.db2.gz VVJIMJBVPRQPMO-UHFFFAOYSA-N 0 1 238.375 2.284 20 0 BEADMN CC1CC(NCc2cnn(-c3ccccc3)n2)C1 ZINC000080248887 168147096 /nfs/dbraw/zinc/14/70/96/168147096.db2.gz JJEBGIPTKISJJX-UHFFFAOYSA-N 0 1 242.326 2.155 20 0 BEADMN C[C@@H](NC1CCC(C)CC1)c1ncn(C)n1 ZINC000309379865 168166116 /nfs/dbraw/zinc/16/61/16/168166116.db2.gz AEHFQWFBVCLCQA-HSOILSAZSA-N 0 1 222.336 2.044 20 0 BEADMN CC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000123177485 168176556 /nfs/dbraw/zinc/17/65/56/168176556.db2.gz GOUGEARFBLGJGI-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CC1CCN(CC(=O)Nc2cccc(O)c2)CC1 ZINC000010495573 168178786 /nfs/dbraw/zinc/17/87/86/168178786.db2.gz VCDAZMZQMCHFHC-UHFFFAOYSA-N 0 1 248.326 2.063 20 0 BEADMN CC(C)c1nc(CN2CCC(C)CC2)n[nH]1 ZINC000336118778 168184781 /nfs/dbraw/zinc/18/47/81/168184781.db2.gz KZJGLPVMZZYZKK-UHFFFAOYSA-N 0 1 222.336 2.160 20 0 BEADMN CC1CN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000338951736 168191557 /nfs/dbraw/zinc/19/15/57/168191557.db2.gz ADWSYZWEWIHSKP-UHFFFAOYSA-N 0 1 241.338 2.383 20 0 BEADMN O=C(NC1CC2(CCC2)C1)[C@H]1CCCN1C1CC1 ZINC000652969887 411382752 /nfs/dbraw/zinc/38/27/52/411382752.db2.gz SEWFVADYSOSFFC-CYBMUJFWSA-N 0 1 248.370 2.062 20 0 BEADMN CCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000361171503 168242956 /nfs/dbraw/zinc/24/29/56/168242956.db2.gz NFHFBNJDGVQCTR-UHFFFAOYSA-N 0 1 221.256 2.333 20 0 BEADMN CCN(CCC=C(C)C)[C@@H](C)CS(C)(=O)=O ZINC000659928355 411384688 /nfs/dbraw/zinc/38/46/88/411384688.db2.gz XCUXCIQUJWEDDC-LBPRGKRZSA-N 0 1 247.404 2.098 20 0 BEADMN O=C([O-])C[N@@H+](CCC1CCC1)C1CCC1 ZINC000659793012 411455725 /nfs/dbraw/zinc/45/57/25/411455725.db2.gz TVFDKRQZMSWQOM-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H](F)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000659791601 411455878 /nfs/dbraw/zinc/45/58/78/411455878.db2.gz JKEAAFWUQSMVIO-VIFPVBQESA-N 0 1 217.284 2.064 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+](C)C[C@@H](CC)CC(F)F ZINC000659794782 411455904 /nfs/dbraw/zinc/45/59/04/411455904.db2.gz UJAQPJDHHKJQLI-DTWKUNHWSA-N 0 1 237.290 2.463 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801033 411456762 /nfs/dbraw/zinc/45/67/62/411456762.db2.gz CYJVEUYGPLECSW-KLPPZKSPSA-N 0 1 237.274 2.121 20 0 BEADMN Cc1ncccc1C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000659795400 411456940 /nfs/dbraw/zinc/45/69/40/411456940.db2.gz CMNRFKXCUFUFDN-NSHDSACASA-N 0 1 248.326 2.218 20 0 BEADMN Cc1ncccc1C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000659795399 411457316 /nfs/dbraw/zinc/45/73/16/411457316.db2.gz CMNRFKXCUFUFDN-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799975 411457574 /nfs/dbraw/zinc/45/75/74/411457574.db2.gz LNEZRIUYAQZIHU-MWLCHTKSSA-N 0 1 235.283 2.128 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799761 411458190 /nfs/dbraw/zinc/45/81/90/411458190.db2.gz HFOWQSXLKSWGIB-YRGRVCCFSA-N 0 1 245.322 2.463 20 0 BEADMN CC/C=C\CC[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802469 411458913 /nfs/dbraw/zinc/45/89/13/411458913.db2.gz WGXSAODWTFBOOR-XTDHWIJXSA-N 0 1 211.305 2.138 20 0 BEADMN CO[C@H](CN1CCO[C@@H](C)C1)C1CCCCC1 ZINC000659811132 411459913 /nfs/dbraw/zinc/45/99/13/411459913.db2.gz IRCGKBJDZWSZNX-GXTWGEPZSA-N 0 1 241.375 2.302 20 0 BEADMN COC1CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659809764 411460082 /nfs/dbraw/zinc/46/00/82/411460082.db2.gz BLZLZLOBJZWHDL-UHFFFAOYSA-N 0 1 236.315 2.163 20 0 BEADMN c1ccc2c(c1)CC[C@@H]2CCN1CCOCC1 ZINC000659812639 411460357 /nfs/dbraw/zinc/46/03/57/411460357.db2.gz CIUKUAIHSRGZSI-CQSZACIVSA-N 0 1 231.339 2.439 20 0 BEADMN COc1cc(CN2CCC[C@H](C)[C@H]2C)on1 ZINC000659950128 411392580 /nfs/dbraw/zinc/39/25/80/411392580.db2.gz LEVFGFKSNXLUMG-VHSXEESVSA-N 0 1 224.304 2.304 20 0 BEADMN c1ccc2c(CCN3CCSCC3)noc2c1 ZINC000653497114 411396967 /nfs/dbraw/zinc/39/69/67/411396967.db2.gz RGNMPIXNDRRPHH-UHFFFAOYSA-N 0 1 248.351 2.419 20 0 BEADMN CCc1nc([C@@H](C)N2CCCC3(CC3)C2)n[nH]1 ZINC000660304893 411397309 /nfs/dbraw/zinc/39/73/09/411397309.db2.gz IKXUGEFNUVOAHI-SNVBAGLBSA-N 0 1 234.347 2.304 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000654484659 411404590 /nfs/dbraw/zinc/40/45/90/411404590.db2.gz YERSMSIBTRVSSQ-MROQNXINSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]1CN(CCOCc2ccccc2)C[C@H](C)O1 ZINC000659814000 411461614 /nfs/dbraw/zinc/46/16/14/411461614.db2.gz LYYSEQLIESRKFK-KBPBESRZSA-N 0 1 249.354 2.312 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCC[C@@H]2O)c(C)s1 ZINC000129907740 411417876 /nfs/dbraw/zinc/41/78/76/411417876.db2.gz GSOTYEKEWYQWEK-SWPVVBRQSA-N 0 1 240.372 2.324 20 0 BEADMN Cc1ncc(CN2CCC[C@@H]3COC[C@@H]32)s1 ZINC000657208887 411419121 /nfs/dbraw/zinc/41/91/21/411419121.db2.gz HEDOKQQCWBNQHA-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN Cc1ccnc(NC[C@H]2COC3(CCCC3)O2)c1 ZINC000271385859 411429391 /nfs/dbraw/zinc/42/93/91/411429391.db2.gz PTXKESFGINVVAX-LBPRGKRZSA-N 0 1 248.326 2.488 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881638 411430814 /nfs/dbraw/zinc/43/08/14/411430814.db2.gz NCQYTNQBOBNUJA-IAQYHMDHSA-N 0 1 246.354 2.117 20 0 BEADMN CCc1nc([C@H](C)Sc2ncco2)n[nH]1 ZINC000657259189 411432168 /nfs/dbraw/zinc/43/21/68/411432168.db2.gz LZEHRCVQRPFVBL-LURJTMIESA-N 0 1 224.289 2.208 20 0 BEADMN c1ccc2c(CN3C[C@@H]4C[C@H]3CS4)n[nH]c2c1 ZINC000657260732 411432629 /nfs/dbraw/zinc/43/26/29/411432629.db2.gz NFSDGWHDEPXXRQ-UWVGGRQHSA-N 0 1 245.351 2.253 20 0 BEADMN c1ccc2c(c1)n[nH]c2CN1C[C@@H]2C[C@H]1CS2 ZINC000657260732 411432638 /nfs/dbraw/zinc/43/26/38/411432638.db2.gz NFSDGWHDEPXXRQ-UWVGGRQHSA-N 0 1 245.351 2.253 20 0 BEADMN Cc1nc2c(n1CC1(C)COC1)CCCC2 ZINC000657261589 411434269 /nfs/dbraw/zinc/43/42/69/411434269.db2.gz IRGABEBQVVPEFT-UHFFFAOYSA-N 0 1 220.316 2.107 20 0 BEADMN Cc1cnc(SCCc2c[nH]nn2)c(C)c1 ZINC000657280575 411440960 /nfs/dbraw/zinc/44/09/60/411440960.db2.gz OYNCSXGOZCOCEX-UHFFFAOYSA-N 0 1 234.328 2.151 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@@H](C)O2)cs1 ZINC000148624958 411441597 /nfs/dbraw/zinc/44/15/97/411441597.db2.gz HROUQGIXYSYUMI-LDYMZIIASA-N 0 1 226.345 2.109 20 0 BEADMN CCCNCc1c(F)cncc1Br ZINC000657285937 411444369 /nfs/dbraw/zinc/44/43/69/411444369.db2.gz QRQIQZCODVOINL-UHFFFAOYSA-N 0 1 247.111 2.483 20 0 BEADMN Fc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000657285865 411444673 /nfs/dbraw/zinc/44/46/73/411444673.db2.gz NLWQOUZTBLEJFR-UHFFFAOYSA-N 0 1 245.301 2.258 20 0 BEADMN CC(C)n1ccnc1CNCCc1ccccn1 ZINC000657287153 411446616 /nfs/dbraw/zinc/44/66/16/411446616.db2.gz YRNFXYJALJNTBR-UHFFFAOYSA-N 0 1 244.342 2.191 20 0 BEADMN FC1(F)CC[C@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655746299 411447996 /nfs/dbraw/zinc/44/79/96/411447996.db2.gz RSJDVFPFTFWLPO-UWVGGRQHSA-N 0 1 241.285 2.495 20 0 BEADMN Cc1ccnc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657293546 411450657 /nfs/dbraw/zinc/45/06/57/411450657.db2.gz AAHXYFSXMJAGBZ-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN Cc1ccnc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657293546 411450659 /nfs/dbraw/zinc/45/06/59/411450659.db2.gz AAHXYFSXMJAGBZ-OCCSQVGLSA-N 0 1 232.327 2.001 20 0 BEADMN Cc1cncc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657294732 411454446 /nfs/dbraw/zinc/45/44/46/411454446.db2.gz JWCLRCPSKMCLBX-KGLIPLIRSA-N 0 1 232.327 2.001 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC2CC=CC2)C1 ZINC000659788717 411454645 /nfs/dbraw/zinc/45/46/45/411454645.db2.gz MHVGUVOHGMSXCE-ZDUSSCGKSA-N 0 1 223.316 2.139 20 0 BEADMN CCN(Cc1cc(OC)ns1)C1CC1 ZINC000659836150 411470038 /nfs/dbraw/zinc/47/00/38/411470038.db2.gz MKEKKUNKZLVTOD-UHFFFAOYSA-N 0 1 212.318 2.136 20 0 BEADMN CC(C)n1ccnc1CNCCOC(C)(C)C ZINC000657336945 411472240 /nfs/dbraw/zinc/47/22/40/411472240.db2.gz BLYLNTJFBKHICO-UHFFFAOYSA-N 0 1 239.363 2.369 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CCC1CC1 ZINC000655003739 411475055 /nfs/dbraw/zinc/47/50/55/411475055.db2.gz UHYPGICMXAQHMB-MNOVXSKESA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@@H]1C[C@H](NCc2cc(C(C)C)no2)CO1 ZINC000657361105 411477311 /nfs/dbraw/zinc/47/73/11/411477311.db2.gz FPAHQDWLAHFWLU-WDEREUQCSA-N 0 1 238.331 2.455 20 0 BEADMN Cc1nocc1CN1CCS[C@H](C)[C@@H]1C ZINC000295438070 411477967 /nfs/dbraw/zinc/47/79/67/411477967.db2.gz UHFFGNNSRSJIFQ-VHSXEESVSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1c[nH]c(CNCCCNc2ccccc2)n1 ZINC000657363958 411481710 /nfs/dbraw/zinc/48/17/10/411481710.db2.gz FVANPXGVCIFRBA-UHFFFAOYSA-N 0 1 244.342 2.310 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nc(C)c[nH]2)C12CCC2 ZINC000657375287 411482790 /nfs/dbraw/zinc/48/27/90/411482790.db2.gz FXJQOSQYSIDBCS-RYUDHWBXSA-N 0 1 249.358 2.155 20 0 BEADMN CC[C@@H](O)CCCNCc1nccn1C(C)C ZINC000657375453 411483648 /nfs/dbraw/zinc/48/36/48/411483648.db2.gz ZIGQZMFSAVIMBW-GFCCVEGCSA-N 0 1 239.363 2.105 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000657375501 411483668 /nfs/dbraw/zinc/48/36/68/411483668.db2.gz HGTUDVIAJVNBFP-UONOGXRCSA-N 0 1 241.338 2.439 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000657375502 411483837 /nfs/dbraw/zinc/48/38/37/411483837.db2.gz HGTUDVIAJVNBFP-ZIAGYGMSSA-N 0 1 241.338 2.439 20 0 BEADMN CO[C@@H](CNCc1nccn1C(C)C)C(C)C ZINC000657381880 411487811 /nfs/dbraw/zinc/48/78/11/411487811.db2.gz AJUPLKUSAUCHHU-LBPRGKRZSA-N 0 1 239.363 2.225 20 0 BEADMN Cc1nc(CN[C@@H]2CCC(F)(F)C2)[nH]c1C ZINC000657397556 411494785 /nfs/dbraw/zinc/49/47/85/411494785.db2.gz ATHYGWVOXYWJDX-SECBINFHSA-N 0 1 229.274 2.304 20 0 BEADMN C[C@@H]1CN(CC2CC(C)(C)C2)CCC1=O ZINC000528460803 411494827 /nfs/dbraw/zinc/49/48/27/411494827.db2.gz RCYYTURFHROIKV-SNVBAGLBSA-N 0 1 209.333 2.334 20 0 BEADMN CC(C)n1ccnc1CNC[C@]1(C)CCCO1 ZINC000657397820 411495062 /nfs/dbraw/zinc/49/50/62/411495062.db2.gz VXMDOOQZIHRDNG-ZDUSSCGKSA-N 0 1 237.347 2.123 20 0 BEADMN Cn1cnc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000659915882 411496284 /nfs/dbraw/zinc/49/62/84/411496284.db2.gz ITOAXEDYSQPBLB-NSHDSACASA-N 0 1 231.299 2.003 20 0 BEADMN Cc1cc(CNC(=O)C2=CCC(C)(C)CC2)n[nH]1 ZINC000653413679 411496901 /nfs/dbraw/zinc/49/69/01/411496901.db2.gz PBSVZYDEBNGXAZ-UHFFFAOYSA-N 0 1 247.342 2.471 20 0 BEADMN COc1cc(CN2CC[C@H](c3ccco3)C2)on1 ZINC000659914762 411496935 /nfs/dbraw/zinc/49/69/35/411496935.db2.gz CDXXRBPFLJZARC-JTQLQIEISA-N 0 1 248.282 2.266 20 0 BEADMN CC[C@@H](C)CN(C)Cc1cc(OC)no1 ZINC000659916860 411496998 /nfs/dbraw/zinc/49/69/98/411496998.db2.gz PARPUXMPMCMYGR-SECBINFHSA-N 0 1 212.293 2.161 20 0 BEADMN CC1(NCc2cn(C3CCC3)nn2)CCC1 ZINC000657415793 411498684 /nfs/dbraw/zinc/49/86/84/411498684.db2.gz HURJNGNDFYNEHA-UHFFFAOYSA-N 0 1 220.320 2.035 20 0 BEADMN Cn1cnc(CNC2CCC(C3CCC3)CC2)n1 ZINC000657421099 411502893 /nfs/dbraw/zinc/50/28/93/411502893.db2.gz AJOVENQUWOEQMS-UHFFFAOYSA-N 0 1 248.374 2.264 20 0 BEADMN Cc1ncc(CN[C@H](C)c2cnccc2C)n1C ZINC000657425685 411505124 /nfs/dbraw/zinc/50/51/24/411505124.db2.gz SEQVLBWXNUCYEZ-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC12CCCC2 ZINC000655162111 411508881 /nfs/dbraw/zinc/50/88/81/411508881.db2.gz IXLVZKGOPWZHMS-LLVKDONJSA-N 0 1 247.342 2.133 20 0 BEADMN c1coc([C@@H]2C[C@H]2NCc2cc3n(n2)CCC3)c1 ZINC000657496698 411534782 /nfs/dbraw/zinc/53/47/82/411534782.db2.gz QQLBPZLVVQABTF-CHWSQXEVSA-N 0 1 243.310 2.068 20 0 BEADMN CC[C@]1(C)CCCN(Cc2cn(C)cn2)C1 ZINC000659976144 411516572 /nfs/dbraw/zinc/51/65/72/411516572.db2.gz QXNABGJXDCBBAZ-CYBMUJFWSA-N 0 1 221.348 2.432 20 0 BEADMN CCN1CC[C@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000659985651 411518935 /nfs/dbraw/zinc/51/89/35/411518935.db2.gz PJZLVOODEOWRQO-KBPBESRZSA-N 0 1 244.338 2.054 20 0 BEADMN CCc1nnc([C@H](C)N2CC[C@H](C)[C@@H]2C)[nH]1 ZINC000659984514 411519372 /nfs/dbraw/zinc/51/93/72/411519372.db2.gz MQZHKRSPFLPHCB-GUBZILKMSA-N 0 1 222.336 2.158 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H]3CCC[C@@H]3C2)[nH]1 ZINC000659998093 411523610 /nfs/dbraw/zinc/52/36/10/411523610.db2.gz MWOAUOKQGRQMJG-HBNTYKKESA-N 0 1 234.347 2.160 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CO[C@@H](CC)C2)o1 ZINC000657473989 411524053 /nfs/dbraw/zinc/52/40/53/411524053.db2.gz WXEQOGVFQZPHQL-QWRGUYRKSA-N 0 1 238.331 2.203 20 0 BEADMN CC(C)n1cc(CNC2(C)CC=CC2)nn1 ZINC000655815678 411524384 /nfs/dbraw/zinc/52/43/84/411524384.db2.gz FXVAZQWCCKOGQC-UHFFFAOYSA-N 0 1 220.320 2.057 20 0 BEADMN CCC1(NCc2cn(C3CCC3)nn2)CC1 ZINC000657478767 411525858 /nfs/dbraw/zinc/52/58/58/411525858.db2.gz OFXIDIKJPXWDLK-UHFFFAOYSA-N 0 1 220.320 2.035 20 0 BEADMN C[C@H]1OCCN(CCOCc2ccccc2)[C@@H]1C ZINC000660014046 411528563 /nfs/dbraw/zinc/52/85/63/411528563.db2.gz ZVTAQIFZCWOSKT-ZIAGYGMSSA-N 0 1 249.354 2.312 20 0 BEADMN Cc1c[nH]c(CNc2ccc3c(n2)CCC3)n1 ZINC000657484169 411529012 /nfs/dbraw/zinc/52/90/12/411529012.db2.gz DDHRHNYSMOQOEG-UHFFFAOYSA-N 0 1 228.299 2.214 20 0 BEADMN COc1c(C)cccc1CNCc1cn[nH]c1 ZINC000655830924 411529073 /nfs/dbraw/zinc/52/90/73/411529073.db2.gz ADLFULLJFUYGKD-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN COc1c(C)cccc1CNCc1c[nH]nc1C ZINC000655832313 411529219 /nfs/dbraw/zinc/52/92/19/411529219.db2.gz SHRPLNKQIUVDAX-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CC(C)n1ccnc1CNC[C@@H]1CC[C@@H](C)O1 ZINC000657489384 411532502 /nfs/dbraw/zinc/53/25/02/411532502.db2.gz NRDOBBDNOOCGBX-NEPJUHHUSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@H](NCc1cocn1)[C@H]1CCCCO1 ZINC000655855626 411538970 /nfs/dbraw/zinc/53/89/70/411538970.db2.gz FPIOCLQHLHGNIF-NWDGAFQWSA-N 0 1 224.304 2.112 20 0 BEADMN CC1=CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660127153 411541704 /nfs/dbraw/zinc/54/17/04/411541704.db2.gz ITQAJYHJOSWFSF-SNVBAGLBSA-N 0 1 217.259 2.063 20 0 BEADMN COc1cc(CN(C)[C@H]2CCSC2)sn1 ZINC000660130074 411542005 /nfs/dbraw/zinc/54/20/05/411542005.db2.gz VDDMAPIXHMAXHE-QMMMGPOBSA-N 0 1 244.385 2.089 20 0 BEADMN CCNC(=O)CN(CC)[C@H](C)c1ccccc1 ZINC000102689080 170057770 /nfs/dbraw/zinc/05/77/70/170057770.db2.gz IEIBJQYULHQICM-GFCCVEGCSA-N 0 1 234.343 2.206 20 0 BEADMN CCC[C@@H]1CN([C@H]2COC(C)(C)C2)CCO1 ZINC000660131930 411542976 /nfs/dbraw/zinc/54/29/76/411542976.db2.gz DAIZYXGEGKLKEN-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN CCC[C@H]1CN([C@H]2COC(C)(C)C2)CCO1 ZINC000660131927 411543407 /nfs/dbraw/zinc/54/34/07/411543407.db2.gz DAIZYXGEGKLKEN-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CC1(C)C[C@@H]([NH2+]Cc2ccc3nc[nH]c3c2)CO1 ZINC000657529652 411544502 /nfs/dbraw/zinc/54/45/02/411544502.db2.gz GIONXTULHPBLAM-LLVKDONJSA-N 0 1 245.326 2.220 20 0 BEADMN CCCC[C@](C)(CO)NCc1nc(C)c(C)[nH]1 ZINC000657499097 411536038 /nfs/dbraw/zinc/53/60/38/411536038.db2.gz USOCVSOUMOFXEX-CYBMUJFWSA-N 0 1 239.363 2.057 20 0 BEADMN CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)oc1C ZINC000036795352 170089042 /nfs/dbraw/zinc/08/90/42/170089042.db2.gz PEEZBCGWYCQJQG-NXEZZACHSA-N 0 1 238.331 2.072 20 0 BEADMN CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000035138859 170095169 /nfs/dbraw/zinc/09/51/69/170095169.db2.gz WLLLEPLXSBEGED-UWVGGRQHSA-N 0 1 238.306 2.001 20 0 BEADMN CCNC(=O)[C@H](C)NCc1cc2ccccc2o1 ZINC000035136303 170095174 /nfs/dbraw/zinc/09/51/74/170095174.db2.gz VSLFMWPITZLQOW-JTQLQIEISA-N 0 1 246.310 2.047 20 0 BEADMN C[C@@H](NCc1noc2ccccc21)[C@H]1CCCO1 ZINC000655854768 411538215 /nfs/dbraw/zinc/53/82/15/411538215.db2.gz XPCUHIMESRWYGC-ZWNOBZJWSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2F)CO1 ZINC000657500495 411538360 /nfs/dbraw/zinc/53/83/60/411538360.db2.gz OPTFXTGQTNZDEW-VXNVDRBHSA-N 0 1 245.244 2.371 20 0 BEADMN CCOCCN(C)Cc1cnc2ccccc2n1 ZINC000660169352 411551560 /nfs/dbraw/zinc/55/15/60/411551560.db2.gz MDQOQRWZHWFCNL-UHFFFAOYSA-N 0 1 245.326 2.098 20 0 BEADMN COC[C@H](NCc1cc(C2CC2)no1)C1CC1 ZINC000660211259 411554151 /nfs/dbraw/zinc/55/41/51/411554151.db2.gz IQAZKDPWTJZPOT-ZDUSSCGKSA-N 0 1 236.315 2.067 20 0 BEADMN CCN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503711 170160053 /nfs/dbraw/zinc/16/00/53/170160053.db2.gz FPWFUBPKCSRNIS-SECBINFHSA-N 0 1 247.298 2.416 20 0 BEADMN Cc1nc(CN[C@@]23C[C@@H]2CCC3)cs1 ZINC000657549438 411546849 /nfs/dbraw/zinc/54/68/49/411546849.db2.gz DJFVQTKHVQFAFF-ONGXEEELSA-N 0 1 208.330 2.484 20 0 BEADMN COCc1nc(CN[C@@]23C[C@@H]2CCC3)cs1 ZINC000657550872 411547295 /nfs/dbraw/zinc/54/72/95/411547295.db2.gz KYSDIFUWYBMHAY-CABZTGNLSA-N 0 1 238.356 2.322 20 0 BEADMN CN1CCN(Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000660156758 411548150 /nfs/dbraw/zinc/54/81/50/411548150.db2.gz HGEQSAFRPOUEOL-UHFFFAOYSA-N 0 1 249.358 2.078 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CC1(C)CCC1 ZINC000339796103 170185933 /nfs/dbraw/zinc/18/59/33/170185933.db2.gz VFNQXGCRHAADJH-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCC1CC1 ZINC000339787795 170186225 /nfs/dbraw/zinc/18/62/25/170186225.db2.gz NZFOZKRMBMYQKX-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN COCc1cnc(CN[C@@]23C[C@@H]2CCC3)s1 ZINC000657554136 411549174 /nfs/dbraw/zinc/54/91/74/411549174.db2.gz XMUQCBPCDWTCOU-CABZTGNLSA-N 0 1 238.356 2.322 20 0 BEADMN CCOC(=O)CCN[C@@H](C)c1ncc(C)s1 ZINC000126089512 170209976 /nfs/dbraw/zinc/20/99/76/170209976.db2.gz UPSXTKRTCFVGJP-VIFPVBQESA-N 0 1 242.344 2.055 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCCC[C@@H]1CC ZINC000104383799 170216129 /nfs/dbraw/zinc/21/61/29/170216129.db2.gz AZYMREFGCFHQGJ-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000342164794 170218516 /nfs/dbraw/zinc/21/85/16/170218516.db2.gz KVINZDYJCTZHLF-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN CCOC(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000341887173 170218720 /nfs/dbraw/zinc/21/87/20/170218720.db2.gz XZSBRQMLTWELMX-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN CCOC(=O)CN1CCCC[C@@H]1CC(C)C ZINC000341906990 170219235 /nfs/dbraw/zinc/21/92/35/170219235.db2.gz VYYPUHKMMZXOLU-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(C2CC2)CC1 ZINC000366423221 170247751 /nfs/dbraw/zinc/24/77/51/170247751.db2.gz FVXWHXLMKVCAKH-SNVBAGLBSA-N 0 1 225.332 2.060 20 0 BEADMN CCOC(=O)[C@@H](CC)N1C[C@H]2CCCC[C@H]21 ZINC000377774745 170251093 /nfs/dbraw/zinc/25/10/93/170251093.db2.gz YLBCZSXVMQFGSR-IJLUTSLNSA-N 0 1 225.332 2.203 20 0 BEADMN CC1(C)Cc2cccc(CNC/C=C\CO)c2O1 ZINC000657592934 411559464 /nfs/dbraw/zinc/55/94/64/411559464.db2.gz NYOHCDISIBOPPZ-ARJAWSKDSA-N 0 1 247.338 2.038 20 0 BEADMN CC1(C)Cc2cccc(CNC/C=C/CO)c2O1 ZINC000657592937 411559487 /nfs/dbraw/zinc/55/94/87/411559487.db2.gz NYOHCDISIBOPPZ-ONEGZZNKSA-N 0 1 247.338 2.038 20 0 BEADMN CCOC(=O)[C@@H]1CCCN1CCCCCF ZINC000341910401 170258307 /nfs/dbraw/zinc/25/83/07/170258307.db2.gz NQABABXQVSZILS-NSHDSACASA-N 0 1 231.311 2.154 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(C2CC2)CC1 ZINC000366423220 170266139 /nfs/dbraw/zinc/26/61/39/170266139.db2.gz FVXWHXLMKVCAKH-JTQLQIEISA-N 0 1 225.332 2.060 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359563012 170267519 /nfs/dbraw/zinc/26/75/19/170267519.db2.gz SBJUEYRJJWMQLW-DYEKYZERSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000660262799 411561425 /nfs/dbraw/zinc/56/14/25/411561425.db2.gz JNBBCWIHVBRWDZ-ZDDJMSTPSA-N 0 1 235.331 2.465 20 0 BEADMN Cc1ccnc(N[C@@H]2CCOC2)c1C1CC1 ZINC000657612469 411563213 /nfs/dbraw/zinc/56/32/13/411563213.db2.gz MGMZJKBAVZPFIZ-LLVKDONJSA-N 0 1 218.300 2.468 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nccn2C(C)C)C1 ZINC000657610959 411563430 /nfs/dbraw/zinc/56/34/30/411563430.db2.gz GWTJTQJFPLZTCQ-HAQNSBGRSA-N 0 1 237.347 2.121 20 0 BEADMN CCOC(=O)c1coc(CN2C[C@H]3CCC[C@H]32)c1 ZINC000353651768 170304656 /nfs/dbraw/zinc/30/46/56/170304656.db2.gz CJIXQMSAMKJPNA-ZWNOBZJWSA-N 0 1 249.310 2.441 20 0 BEADMN CC[C@@H](CN[C@H](C)c1ncn(C)n1)CC(F)F ZINC000660370447 411573425 /nfs/dbraw/zinc/57/34/25/411573425.db2.gz CVQYZWNLHCQSRE-RKDXNWHRSA-N 0 1 246.305 2.147 20 0 BEADMN CC(C)=CCCN1CCNC(=O)[C@H]1CC(C)C ZINC000660372025 411574155 /nfs/dbraw/zinc/57/41/55/411574155.db2.gz JCVMWDLFEJJOHX-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN C[C@@H]1CCC[C@@H](CNCc2nccs2)O1 ZINC000657662705 411575609 /nfs/dbraw/zinc/57/56/09/411575609.db2.gz FRJDDLGIFIWAST-ZJUUUORDSA-N 0 1 226.345 2.190 20 0 BEADMN CCOCC(C)(C)NCc1ccn(C(F)F)n1 ZINC000339451638 170355020 /nfs/dbraw/zinc/35/50/20/170355020.db2.gz IVHGXLLOQGOWLF-UHFFFAOYSA-N 0 1 247.289 2.183 20 0 BEADMN CCOCCCN[C@H](C)c1cscn1 ZINC000022862701 170383262 /nfs/dbraw/zinc/38/32/62/170383262.db2.gz PCBCXUNDNIXXRV-SECBINFHSA-N 0 1 214.334 2.220 20 0 BEADMN c1csc(CNCCc2ccoc2)n1 ZINC000657652372 411569935 /nfs/dbraw/zinc/56/99/35/411569935.db2.gz JQXIOBFMMJCYCJ-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN Cc1nc(CN2CC[C@H]3CCC[C@H]32)co1 ZINC000660332088 411570076 /nfs/dbraw/zinc/57/00/76/411570076.db2.gz GAFJQPUOXOOTDC-ZYHUDNBSSA-N 0 1 206.289 2.357 20 0 BEADMN CCOCCN(C)Cc1ccc(Cl)nc1 ZINC000086716523 170389741 /nfs/dbraw/zinc/38/97/41/170389741.db2.gz JEUKBAGGJXWJQH-UHFFFAOYSA-N 0 1 228.723 2.203 20 0 BEADMN CN(CCCF)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660763708 411623144 /nfs/dbraw/zinc/62/31/44/411623144.db2.gz KJTTZAFMFXWBFG-LBPRGKRZSA-N 0 1 248.305 2.186 20 0 BEADMN CCOCCN(CC)Cc1ncccc1C ZINC000093172905 170395630 /nfs/dbraw/zinc/39/56/30/170395630.db2.gz BYSAXEPQRGOENA-UHFFFAOYSA-N 0 1 222.332 2.248 20 0 BEADMN C[C@@H](C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1)C(=O)[O-] ZINC000663317854 411624412 /nfs/dbraw/zinc/62/44/12/411624412.db2.gz QTMZSSKUWVRQNQ-YFKTTZPYSA-N 0 1 237.343 2.218 20 0 BEADMN Cc1nc(CNC[C@@]2(C)CC2(F)F)[nH]c1C ZINC000657664879 411577015 /nfs/dbraw/zinc/57/70/15/411577015.db2.gz KOTNRNIFDQADPE-SNVBAGLBSA-N 0 1 229.274 2.161 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000660476534 411590384 /nfs/dbraw/zinc/59/03/84/411590384.db2.gz FEIQZOYWRQIXGL-RYUDHWBXSA-N 0 1 224.304 2.030 20 0 BEADMN CC1(C)C[C@]1(C)NCc1cn(C2CCC2)nn1 ZINC000657761477 411591397 /nfs/dbraw/zinc/59/13/97/411591397.db2.gz LQWQDFPQLUUYPU-ZDUSSCGKSA-N 0 1 234.347 2.281 20 0 BEADMN c1c(CN2CCC3(CCO3)CC2)onc1C1CC1 ZINC000660483736 411591921 /nfs/dbraw/zinc/59/19/21/411591921.db2.gz RKMPLJLADRNLRC-UHFFFAOYSA-N 0 1 248.326 2.307 20 0 BEADMN CCC(CC)(CCO)NCc1nc(C)oc1C ZINC000660485295 411593272 /nfs/dbraw/zinc/59/32/72/411593272.db2.gz FGLJJARDPRGULJ-UHFFFAOYSA-N 0 1 240.347 2.322 20 0 BEADMN CCc1ccc(CN[C@@H]2C[C@]2(C)OC)o1 ZINC000657787838 411595949 /nfs/dbraw/zinc/59/59/49/411595949.db2.gz AIXZOAWVCMPBCI-NEPJUHHUSA-N 0 1 209.289 2.109 20 0 BEADMN CC(C)=CCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000660537979 411597069 /nfs/dbraw/zinc/59/70/69/411597069.db2.gz HNBAFLXCJPFNBV-KGLIPLIRSA-N 0 1 239.359 2.223 20 0 BEADMN C(CN1CCOC[C@@H]1[C@@H]1CCCO1)C1CCC1 ZINC000660540422 411597080 /nfs/dbraw/zinc/59/70/80/411597080.db2.gz OMWBEKMJQIDYIJ-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN CCN1CCN(Cc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660537637 411597394 /nfs/dbraw/zinc/59/73/94/411597394.db2.gz LVVGPGYYGSBVDV-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN FC(F)C[C@@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660546780 411597698 /nfs/dbraw/zinc/59/76/98/411597698.db2.gz WFZLZKZOCBFHER-WRWGMCAJSA-N 0 1 245.313 2.389 20 0 BEADMN COc1cccc(CNCc2c[nH]nc2C)c1C ZINC000657805479 411600166 /nfs/dbraw/zinc/60/01/66/411600166.db2.gz XVESFZFUFDSGFO-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN c1ncn2c1CN(CC13CCC(CC1)C3)CC2 ZINC000660583451 411603778 /nfs/dbraw/zinc/60/37/78/411603778.db2.gz JNSXFYYAMUIHHR-UHFFFAOYSA-N 0 1 231.343 2.279 20 0 BEADMN CCc1nc([C@@H](C)N(C)Cc2occc2C)n[nH]1 ZINC000660613495 411607370 /nfs/dbraw/zinc/60/73/70/411607370.db2.gz DDFRHZULMUUOKQ-SNVBAGLBSA-N 0 1 248.330 2.462 20 0 BEADMN c1nc(CN2CCC[C@@H](c3ccccn3)C2)c[nH]1 ZINC000660627447 411609689 /nfs/dbraw/zinc/60/96/89/411609689.db2.gz SQKXGOHIJQMOGA-GFCCVEGCSA-N 0 1 242.326 2.184 20 0 BEADMN CCOCC(C)(C)NCc1cc(C2CC2)no1 ZINC000660638513 411610442 /nfs/dbraw/zinc/61/04/42/411610442.db2.gz IJJCKJIJIVETKA-UHFFFAOYSA-N 0 1 238.331 2.457 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660669656 411615620 /nfs/dbraw/zinc/61/56/20/411615620.db2.gz PAIQJEYMEVJZPB-LBPRGKRZSA-N 0 1 236.315 2.209 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000663316477 411622738 /nfs/dbraw/zinc/62/27/38/411622738.db2.gz FAKMWWZFLXOOHQ-MNOVXSKESA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000663316480 411622811 /nfs/dbraw/zinc/62/28/11/411622811.db2.gz FAKMWWZFLXOOHQ-QWRGUYRKSA-N 0 1 227.348 2.464 20 0 BEADMN CCO[C@@H]1C[C@H](NCc2ccco2)[C@@H]1SC ZINC000291408532 170491502 /nfs/dbraw/zinc/49/15/02/170491502.db2.gz GBLJWBUGQATZED-TUAOUCFPSA-N 0 1 241.356 2.278 20 0 BEADMN CCc1nnc(CN(CC)[C@@H](C)CC)o1 ZINC000661104741 411708201 /nfs/dbraw/zinc/70/82/01/411708201.db2.gz BCIYZYLKCPLRAF-VIFPVBQESA-N 0 1 211.309 2.252 20 0 BEADMN O[C@@H]1CCN(Cc2cncs2)C2(CCC2)C1 ZINC000660835281 411650537 /nfs/dbraw/zinc/65/05/37/411650537.db2.gz IJUUAXROYOGASZ-SNVBAGLBSA-N 0 1 238.356 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660844604 411656766 /nfs/dbraw/zinc/65/67/66/411656766.db2.gz QNSKJTCRSMFRKA-ZJUUUORDSA-N 0 1 239.319 2.033 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660844603 411657672 /nfs/dbraw/zinc/65/76/72/411657672.db2.gz QNSKJTCRSMFRKA-VHSXEESVSA-N 0 1 239.319 2.033 20 0 BEADMN Cc1ccc(CN2CC[C@H](C(F)F)C2)nc1 ZINC000663463459 411664643 /nfs/dbraw/zinc/66/46/43/411664643.db2.gz CWNBRLGZBIIFFP-JTQLQIEISA-N 0 1 226.270 2.477 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660916040 411671213 /nfs/dbraw/zinc/67/12/13/411671213.db2.gz FEIQZOYWRQIXGL-VXGBXAGGSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)ncn1 ZINC000660933986 411685074 /nfs/dbraw/zinc/68/50/74/411685074.db2.gz IRGSCTQHIJCNKS-AAEUAGOBSA-N 0 1 217.316 2.159 20 0 BEADMN CN(CCCC1CCC1)Cc1c[nH]cn1 ZINC000661094479 411701628 /nfs/dbraw/zinc/70/16/28/411701628.db2.gz XHGKVEHRJBHMIF-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN Fc1ccc([C@H]2CCN2CCn2ccnc2)cc1 ZINC000661513234 411793806 /nfs/dbraw/zinc/79/38/06/411793806.db2.gz NBEXWCFHHRUQRB-CQSZACIVSA-N 0 1 245.301 2.469 20 0 BEADMN CCCCOCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661467491 411782418 /nfs/dbraw/zinc/78/24/18/411782418.db2.gz RPZPFUXJUJFAIH-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN CCCCOCCN1CC2(CCC2)OC[C@@H]1C ZINC000661467491 411782420 /nfs/dbraw/zinc/78/24/20/411782420.db2.gz RPZPFUXJUJFAIH-ZDUSSCGKSA-N 0 1 241.375 2.447 20 0 BEADMN Cn1cncc1CN1CCC(c2ccco2)CC1 ZINC000661162303 411724598 /nfs/dbraw/zinc/72/45/98/411724598.db2.gz PFWXOZSHHVGKMZ-UHFFFAOYSA-N 0 1 245.326 2.393 20 0 BEADMN CC(C)=CCN1CCO[C@](C)(C2CC2)C1 ZINC000661166085 411725751 /nfs/dbraw/zinc/72/57/51/411725751.db2.gz HBCPHJHXFXDBLV-ZDUSSCGKSA-N 0 1 209.333 2.454 20 0 BEADMN C[C@H]1CCC[C@@H](CN(C)Cc2cn(C)nn2)C1 ZINC000661745021 411865036 /nfs/dbraw/zinc/86/50/36/411865036.db2.gz NOXUVXUDFSHIOX-NWDGAFQWSA-N 0 1 236.363 2.073 20 0 BEADMN Cc1cc(OCCC2(O)CCC2)cc(C)n1 ZINC000663985977 411802516 /nfs/dbraw/zinc/80/25/16/411802516.db2.gz ZAUYOAATCILJOU-UHFFFAOYSA-N 0 1 221.300 2.382 20 0 BEADMN Cc1cncc(CN(C)CC2=CCCOC2)c1 ZINC000661653445 411831143 /nfs/dbraw/zinc/83/11/43/411831143.db2.gz JFEKMGGXZLLSNN-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN FCC[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000661690424 411838924 /nfs/dbraw/zinc/83/89/24/411838924.db2.gz MYYPUTFBSSOYOB-SNVBAGLBSA-N 0 1 239.281 2.340 20 0 BEADMN COc1cccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000661695324 411843255 /nfs/dbraw/zinc/84/32/55/411843255.db2.gz GAHNZXBOUINLJE-ZFWWWQNUSA-N 0 1 247.338 2.164 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000661713349 411854208 /nfs/dbraw/zinc/85/42/08/411854208.db2.gz KYOQCLSDBAPRAN-LSDHHAIUSA-N 0 1 231.339 2.260 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1cscn1)OC ZINC000294169439 170776006 /nfs/dbraw/zinc/77/60/06/170776006.db2.gz JCUXOHVSVXRODJ-MWLCHTKSSA-N 0 1 228.361 2.294 20 0 BEADMN O=C1CCCC12CCN(Cc1ccncc1)CC2 ZINC000661954752 411918885 /nfs/dbraw/zinc/91/88/85/411918885.db2.gz OAFADZIGLSIWRO-UHFFFAOYSA-N 0 1 244.338 2.417 20 0 BEADMN CN(CC1C[NH+](C)C1)c1cc[nH+]c2ccsc21 ZINC000664331509 411923591 /nfs/dbraw/zinc/92/35/91/411923591.db2.gz XJMXWUDMCRCLSC-UHFFFAOYSA-N 0 1 247.367 2.294 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@@H]3C[C@@H]3C2)c(C)n1C ZINC000661972595 411928688 /nfs/dbraw/zinc/92/86/88/411928688.db2.gz LOGSMUMFXALUJV-CHWSQXEVSA-N 0 1 246.354 2.166 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@H](CC)C2CC2)n1 ZINC000661759775 411868749 /nfs/dbraw/zinc/86/87/49/411868749.db2.gz ABDNORSSWUKGOB-LLVKDONJSA-N 0 1 235.331 2.023 20 0 BEADMN CC[C@@H](NCc1nc([C@H](C)OC)no1)C1CC1 ZINC000661757310 411869729 /nfs/dbraw/zinc/86/97/29/411869729.db2.gz BZYRHJOWGHLWAQ-WCBMZHEXSA-N 0 1 239.319 2.055 20 0 BEADMN c1cnc(CN2CCC[C@H](C3CCC3)C2)nc1 ZINC000662044639 411964148 /nfs/dbraw/zinc/96/41/48/411964148.db2.gz RIISNNVFENQGPK-ZDUSSCGKSA-N 0 1 231.343 2.489 20 0 BEADMN Cc1nc([C@@H](C)N2CCC(C3CC3)CC2)n[nH]1 ZINC000664567108 411987330 /nfs/dbraw/zinc/98/73/30/411987330.db2.gz KSXIJXVDBOOSHX-SECBINFHSA-N 0 1 234.347 2.296 20 0 BEADMN Oc1ccc2c(c1)CN(CCC1CC1)CCO2 ZINC000662098239 411988625 /nfs/dbraw/zinc/98/86/25/411988625.db2.gz VFKPNGWUNGUPCX-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN CC[C@@H](O)CCCNc1cccc(C)n1 ZINC000308948269 170921061 /nfs/dbraw/zinc/92/10/61/170921061.db2.gz OKPUNSLDBSUADG-LLVKDONJSA-N 0 1 208.305 2.353 20 0 BEADMN CC[C@@H](OC)c1nc([C@@H](N)CC(C)C)no1 ZINC000339396262 170945100 /nfs/dbraw/zinc/94/51/00/170945100.db2.gz NCEFCNNQXISPFF-DTWKUNHWSA-N 0 1 227.308 2.213 20 0 BEADMN CCc1nnc(CN(CCC2CC2)CC2CC2)[nH]1 ZINC000662177688 412018985 /nfs/dbraw/zinc/01/89/85/412018985.db2.gz LUQFPQIQMSUWPC-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN c1cc(C2CCN(Cc3ccccn3)CC2)no1 ZINC000662046824 411962586 /nfs/dbraw/zinc/96/25/86/411962586.db2.gz QNFXLNMTPMBLLB-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C3CCC3)C2)n1C ZINC000662045503 411962774 /nfs/dbraw/zinc/96/27/74/411962774.db2.gz UMLONNPSTOYLCW-ZDUSSCGKSA-N 0 1 248.374 2.136 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662204187 412025939 /nfs/dbraw/zinc/02/59/39/412025939.db2.gz GUUXIOVAAOCUBY-YFKTTZPYSA-N 0 1 225.332 2.218 20 0 BEADMN O=C([O-])C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCC1 ZINC000662211699 412026063 /nfs/dbraw/zinc/02/60/63/412026063.db2.gz DTVOWNJSZOOYFE-GRYCIOLGSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664827971 412026100 /nfs/dbraw/zinc/02/61/00/412026100.db2.gz ARKJREASEKPMGA-AAEUAGOBSA-N 0 1 234.343 2.235 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820002 412026159 /nfs/dbraw/zinc/02/61/59/412026159.db2.gz NNPZSCCNEYDWMF-WCQYABFASA-N 0 1 234.343 2.235 20 0 BEADMN CO[C@@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822985 412026808 /nfs/dbraw/zinc/02/68/08/412026808.db2.gz LCLABFYNRJBLPL-WCQYABFASA-N 0 1 234.343 2.499 20 0 BEADMN C[C@H](O)CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664827976 412027166 /nfs/dbraw/zinc/02/71/66/412027166.db2.gz ARKJREASEKPMGA-WCQYABFASA-N 0 1 234.343 2.235 20 0 BEADMN CC1(C)CN(Cc2cnc[nH]2)[C@@H]1c1ccncc1 ZINC000664833802 412028990 /nfs/dbraw/zinc/02/89/90/412028990.db2.gz RNNYMABMDCJCHQ-CYBMUJFWSA-N 0 1 242.326 2.388 20 0 BEADMN C[C@H]1CN(CC2CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662241353 412037428 /nfs/dbraw/zinc/03/74/28/412037428.db2.gz JUWQAZNHHXUSGX-WCBMZHEXSA-N 0 1 237.265 2.438 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000036169702 170972803 /nfs/dbraw/zinc/97/28/03/170972803.db2.gz QPVGHMNLLFUVJG-OCCSQVGLSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1ccnc(CN(C)CC2=CCSC2)c1 ZINC000662264911 412056617 /nfs/dbraw/zinc/05/66/17/412056617.db2.gz VMXDMKUVHFEQCG-UHFFFAOYSA-N 0 1 234.368 2.495 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000156148891 171001608 /nfs/dbraw/zinc/00/16/08/171001608.db2.gz UIOYQCGXGMOJML-MWLCHTKSSA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@@H]1CCN(Cc2ccoc2C(=O)OC)C1 ZINC000125742737 171011240 /nfs/dbraw/zinc/01/12/40/171011240.db2.gz OLJGRZYQEUTEIH-SNVBAGLBSA-N 0 1 237.299 2.298 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000294191403 171020309 /nfs/dbraw/zinc/02/03/09/171020309.db2.gz XGOBHVVDJYERPQ-SECBINFHSA-N 0 1 221.304 2.158 20 0 BEADMN CC[C@@H]1CCN1C(=O)c1cccc2[nH]cnc21 ZINC000293978250 171022942 /nfs/dbraw/zinc/02/29/42/171022942.db2.gz KVLNNESMNZPLGQ-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN CC[C@@H]1CCN1Cc1cnccc1OC ZINC000292566408 171024921 /nfs/dbraw/zinc/02/49/21/171024921.db2.gz ZRFLWCNYHFUYMG-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)no1 ZINC000335051010 171055241 /nfs/dbraw/zinc/05/52/41/171055241.db2.gz NNHXTJAEZRHXMQ-WCBMZHEXSA-N 0 1 209.293 2.141 20 0 BEADMN CC[C@@H]1CN(CCCc2cnccc2C)CCO1 ZINC000288987847 171080906 /nfs/dbraw/zinc/08/09/06/171080906.db2.gz CWCHSHWQHZZUDG-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN CC[C@@H]1CN(CCCc2ccc(C)nc2)CCO1 ZINC000353364897 171081683 /nfs/dbraw/zinc/08/16/83/171081683.db2.gz SNKSCVVEEOJGGH-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN CC[C@@H]1CN(C[C@@H](O)CCC(C)C)C[C@@H](C)O1 ZINC000361244416 171083103 /nfs/dbraw/zinc/08/31/03/171083103.db2.gz LVBFCDWOERCZHX-HZSPNIEDSA-N 0 1 243.391 2.283 20 0 BEADMN CC[C@@H]1CN(CC[C@@H](O)c2ccccc2)CCO1 ZINC000227062283 171084520 /nfs/dbraw/zinc/08/45/20/171084520.db2.gz VGFBYERMJGGSQX-HUUCEWRRSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@H]1CN([C@@H](C)c2cnccn2)CCS1 ZINC000184589943 171093713 /nfs/dbraw/zinc/09/37/13/171093713.db2.gz OYUYVBFDRCVUSJ-WDEREUQCSA-N 0 1 237.372 2.365 20 0 BEADMN CC[C@@H]1COCCN1CCOCCC(C)C ZINC000115741390 171105031 /nfs/dbraw/zinc/10/50/31/171105031.db2.gz OTVKBKPUHJSXLY-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN CC[C@@H]1COCCN1CCc1ccccc1 ZINC000115577490 171105566 /nfs/dbraw/zinc/10/55/66/171105566.db2.gz ITHCCHWJGHBIDH-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@H](O)c1ccccc1 ZINC000042240463 171110544 /nfs/dbraw/zinc/11/05/44/171110544.db2.gz PAVCWAMSFVAKSU-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccn(C)c1 ZINC000270981601 171114448 /nfs/dbraw/zinc/11/44/48/171114448.db2.gz DMVRVJAMUGXVGN-DGCLKSJQSA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nnc(C)s1 ZINC000336413716 171158137 /nfs/dbraw/zinc/15/81/37/171158137.db2.gz OSOTWTVZZZEPDC-WCBMZHEXSA-N 0 1 225.361 2.467 20 0 BEADMN CC[C@@](C)(NCc1sccc1Cl)C(N)=O ZINC000336712908 171176096 /nfs/dbraw/zinc/17/60/96/171176096.db2.gz VHPVDZVNLKAAFC-SNVBAGLBSA-N 0 1 246.763 2.145 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ccc(OC)nn2)C1 ZINC000338274187 171201246 /nfs/dbraw/zinc/20/12/46/171201246.db2.gz JTDJBKOFUALZRF-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cn3cccnc3n2)C1 ZINC000336522825 171201941 /nfs/dbraw/zinc/20/19/41/171201941.db2.gz VHWNWMCGTPJEIZ-AWEZNQCLSA-N 0 1 244.342 2.351 20 0 BEADMN CC[C@@]1(C)COCCN1C[C@H]1CCC(C)(C)O1 ZINC000336726105 171205008 /nfs/dbraw/zinc/20/50/08/171205008.db2.gz WDKYJJQDPXVTIE-OCCSQVGLSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](C(=O)N1CCc2cccc(C)c21)N(C)C ZINC000298519311 171226437 /nfs/dbraw/zinc/22/64/37/171226437.db2.gz IEDITVBREDQDET-CYBMUJFWSA-N 0 1 246.354 2.224 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(F)cc1C)N(C)C ZINC000268713438 171233707 /nfs/dbraw/zinc/23/37/07/171233707.db2.gz FDDRUAFZRAMTNP-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)Nc1cc(F)ccc1C)N(C)C ZINC000268723211 171234153 /nfs/dbraw/zinc/23/41/53/171234153.db2.gz IRGZLRSVBDLALB-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1 ZINC000037374395 171236414 /nfs/dbraw/zinc/23/64/14/171236414.db2.gz LENNDNWXNQTTLA-GFCCVEGCSA-N 0 1 221.300 2.290 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437060 171236574 /nfs/dbraw/zinc/23/65/74/171236574.db2.gz VLOJETOBJKWDDI-LLVKDONJSA-N 0 1 225.263 2.121 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000248981944 171237298 /nfs/dbraw/zinc/23/72/98/171237298.db2.gz STNSZVRQDILJNL-UONOGXRCSA-N 0 1 247.338 2.414 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(CC(C)C)CC1 ZINC000358491322 171258518 /nfs/dbraw/zinc/25/85/18/171258518.db2.gz DUYTUQPEVLVEPX-ZDUSSCGKSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000359769896 171261413 /nfs/dbraw/zinc/26/14/13/171261413.db2.gz QLWLVHWMPZWQGY-QWHCGFSZSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](C)CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000189534410 171261674 /nfs/dbraw/zinc/26/16/74/171261674.db2.gz YMUWGFUPUFXBIF-VHSXEESVSA-N 0 1 237.347 2.202 20 0 BEADMN CC[C@H](C)CN(C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052881466 171271656 /nfs/dbraw/zinc/27/16/56/171271656.db2.gz HTSJNXFUAGVCTF-SWLSCSKDSA-N 0 1 248.370 2.365 20 0 BEADMN CC[C@H](C)CN(CC)C(=O)c1cnccc1N ZINC000128125000 171277530 /nfs/dbraw/zinc/27/75/30/171277530.db2.gz LYOCYDNAQNWYHH-JTQLQIEISA-N 0 1 235.331 2.172 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nccn1C ZINC000177846169 171277949 /nfs/dbraw/zinc/27/79/49/171277949.db2.gz VDFFZRCBAXNTBO-NSHDSACASA-N 0 1 209.337 2.288 20 0 BEADMN CC[C@H](C)CN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000121643929 171280216 /nfs/dbraw/zinc/28/02/16/171280216.db2.gz KBWIDFVOAANRAG-JSGCOSHPSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@H](C)CN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352892758 171282723 /nfs/dbraw/zinc/28/27/23/171282723.db2.gz KTBANGLXFQUNQU-OHTBPHCPSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@H](C)CNc1cc2c(cn1)CCC2 ZINC000339557454 171282868 /nfs/dbraw/zinc/28/28/68/171282868.db2.gz YEYWRNLSDYQVAC-JTQLQIEISA-N 0 1 204.317 2.450 20 0 BEADMN CC[C@H](C)[N@@H+](CC[C@@H](C)F)CC(=O)OC ZINC000352422756 171315280 /nfs/dbraw/zinc/31/52/80/171315280.db2.gz UWEWNRDJVULGTH-ZJUUUORDSA-N 0 1 219.300 2.008 20 0 BEADMN CC[C@H](C)N(CC[C@@H](C)F)CC(=O)OC ZINC000352422756 171315281 /nfs/dbraw/zinc/31/52/81/171315281.db2.gz UWEWNRDJVULGTH-ZJUUUORDSA-N 0 1 219.300 2.008 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1ccc2cncn2c1 ZINC000288364827 171316508 /nfs/dbraw/zinc/31/65/08/171316508.db2.gz XBWWPGIEMRBISV-JTQLQIEISA-N 0 1 247.298 2.136 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)CCC(C)C)CC1 ZINC000337344274 171319170 /nfs/dbraw/zinc/31/91/70/171319170.db2.gz YUMFPHKTJVUTQI-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)NCc1ncc(C(F)(F)F)cn1 ZINC000296508405 171344284 /nfs/dbraw/zinc/34/42/84/171344284.db2.gz PKQWJKNWAIFLMI-ZETCQYMHSA-N 0 1 233.237 2.384 20 0 BEADMN CC[C@H](C)N[C@H](CO)c1c(F)cccc1F ZINC000038116383 171349170 /nfs/dbraw/zinc/34/91/70/171349170.db2.gz YFVAJWQVVLZUEP-GZMMTYOYSA-N 0 1 229.270 2.386 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)Cc1ccn[nH]1)C1CC1 ZINC000172780758 171361006 /nfs/dbraw/zinc/36/10/06/171361006.db2.gz VINLJNQRIXKQOK-WDEREUQCSA-N 0 1 249.358 2.378 20 0 BEADMN CC[C@H](C)[C@@H](O)CNc1ccnc(C)c1Cl ZINC000336749840 171376214 /nfs/dbraw/zinc/37/62/14/171376214.db2.gz ZESWDQZHVAYKNV-KWQFWETISA-N 0 1 242.750 2.284 20 0 BEADMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000265702947 171381369 /nfs/dbraw/zinc/38/13/69/171381369.db2.gz ROPBDTBGIFPWSO-JQWIXIFHSA-N 0 1 235.331 2.451 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1[nH]nc2c1CCC2 ZINC000299159812 171388019 /nfs/dbraw/zinc/38/80/19/171388019.db2.gz QMQSYUKYRFVOKE-IUCAKERBSA-N 0 1 235.331 2.063 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1[nH]nc(C)c1C ZINC000265198857 171388304 /nfs/dbraw/zinc/38/83/04/171388304.db2.gz JADWMRNPAUQBME-CBAPKCEASA-N 0 1 223.320 2.191 20 0 BEADMN CC[C@H](C)[C@H](C)Nc1ccncc1C(N)=O ZINC000302221356 171391270 /nfs/dbraw/zinc/39/12/70/171391270.db2.gz MMHTZLNSFITHOI-IUCAKERBSA-N 0 1 221.304 2.027 20 0 BEADMN COCC1(NCc2ncc(C)cn2)CCCCC1 ZINC000662341199 412109746 /nfs/dbraw/zinc/10/97/46/412109746.db2.gz MKLYXCQEZFGAJW-UHFFFAOYSA-N 0 1 249.358 2.224 20 0 BEADMN CC[C@H](CN[C@H](C)c1nccs1)OC ZINC000290062323 171440829 /nfs/dbraw/zinc/44/08/29/171440829.db2.gz FRJSKJYABQNMKW-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](OCC)C1 ZINC000132596271 412120832 /nfs/dbraw/zinc/12/08/32/412120832.db2.gz XOJGWEIUOPFATR-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662364148 412123281 /nfs/dbraw/zinc/12/32/81/412123281.db2.gz NPOFHHYMXTUEGY-WCBMZHEXSA-N 0 1 207.264 2.139 20 0 BEADMN C[C@]1(C(F)F)CN(CC2CCC2)CCO1 ZINC000662368148 412125240 /nfs/dbraw/zinc/12/52/40/412125240.db2.gz XTRIHHYLWMTNQU-LLVKDONJSA-N 0 1 219.275 2.143 20 0 BEADMN CC[C@H](C)N1CCO[C@@](C)(C(F)F)C1 ZINC000662369610 412128064 /nfs/dbraw/zinc/12/80/64/412128064.db2.gz UXVQAOIPFCGKDX-WCBMZHEXSA-N 0 1 207.264 2.141 20 0 BEADMN CCCCN1CCO[C@](C)(C(F)F)C1 ZINC000662376993 412129623 /nfs/dbraw/zinc/12/96/23/412129623.db2.gz YEUXUZXZGIJHOF-JTQLQIEISA-N 0 1 207.264 2.143 20 0 BEADMN CC[C@@H](C)CN1CCO[C@](C)(C(F)F)C1 ZINC000662372137 412129727 /nfs/dbraw/zinc/12/97/27/412129727.db2.gz PDVUHTMUKFUAIQ-KOLCDFICSA-N 0 1 221.291 2.389 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000662419248 412159633 /nfs/dbraw/zinc/15/96/33/412159633.db2.gz XCIAAECTSCYUJO-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nccnc1[C@H](C)NCc1cccc(N)c1 ZINC000665232854 412171742 /nfs/dbraw/zinc/17/17/42/412171742.db2.gz WIZUNNAJGNLSGD-NSHDSACASA-N 0 1 242.326 2.218 20 0 BEADMN CCN(Cc1ccoc1)[C@H](C)c1n[nH]c(C)n1 ZINC000662695543 412274090 /nfs/dbraw/zinc/27/40/90/412274090.db2.gz LMMNDPIIURTLHZ-SECBINFHSA-N 0 1 234.303 2.289 20 0 BEADMN Cc1noc(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000665286435 412230757 /nfs/dbraw/zinc/23/07/57/412230757.db2.gz LJNWZSWRFJCARB-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H](C3CCC3)C2)nn1 ZINC000665290048 412234543 /nfs/dbraw/zinc/23/45/43/412234543.db2.gz HEOLSBDFPMNGOO-CYBMUJFWSA-N 0 1 248.374 2.481 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)c1ccc(CN)o1 ZINC000662626124 412245706 /nfs/dbraw/zinc/24/57/06/412245706.db2.gz JXWVQXSYFVFIDX-SECBINFHSA-N 0 1 238.331 2.293 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)c1coc(CN)c1 ZINC000662626009 412246058 /nfs/dbraw/zinc/24/60/58/412246058.db2.gz IOKIDCCWIHLFIK-VIFPVBQESA-N 0 1 238.331 2.293 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)[C@@H](N)c1ccccc1 ZINC000662991500 412364916 /nfs/dbraw/zinc/36/49/16/412364916.db2.gz VJQCJYACQXYQOJ-OLZOCXBDSA-N 0 1 246.354 2.191 20 0 BEADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)C ZINC000665581011 412373064 /nfs/dbraw/zinc/37/30/64/412373064.db2.gz SPGINPCWKIKCTN-RYUDHWBXSA-N 0 1 246.354 2.304 20 0 BEADMN NC1(c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)CCCC1 ZINC000663250374 412401746 /nfs/dbraw/zinc/40/17/46/412401746.db2.gz FHKFWZZVGKCEMQ-MYJAWHEDSA-N 0 1 233.315 2.311 20 0 BEADMN CCc1nnc([C@@H](C)NC2CC3(CCC3)C2)[nH]1 ZINC000333815692 172002008 /nfs/dbraw/zinc/00/20/08/172002008.db2.gz HWJPUBDWTRIQOM-SECBINFHSA-N 0 1 234.347 2.350 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2ccco2)n[nH]1 ZINC000271502199 172003084 /nfs/dbraw/zinc/00/30/84/172003084.db2.gz MEPNXTWBPMTDQM-RKDXNWHRSA-N 0 1 234.303 2.372 20 0 BEADMN CCc1nc([C@H](C)NCC[C@@H](C)O)cs1 ZINC000309050526 172006078 /nfs/dbraw/zinc/00/60/78/172006078.db2.gz QUCZBOHAZXJBKH-BDAKNGLRSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1ncc(CN[C@@H](C)c2cn[nH]c2)s1 ZINC000229883690 172018918 /nfs/dbraw/zinc/01/89/18/172018918.db2.gz UCEGWLMBHPJWDF-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CCc1ncc(CNCc2c[nH]nc2C)s1 ZINC000038011599 172019693 /nfs/dbraw/zinc/01/96/93/172019693.db2.gz MGKRISUVVCUDPB-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CCc1nnc(CN(C(C)C)C2CCC2)o1 ZINC000119758069 172048309 /nfs/dbraw/zinc/04/83/09/172048309.db2.gz RMSZSIYWIHAGRG-UHFFFAOYSA-N 0 1 223.320 2.395 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)o1 ZINC000336726075 172050490 /nfs/dbraw/zinc/05/04/90/172050490.db2.gz VPLOHTMVSQLHIF-OUAUKWLOSA-N 0 1 237.347 2.498 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C2CC2)o1 ZINC000377533021 172050684 /nfs/dbraw/zinc/05/06/84/172050684.db2.gz DRZKIHUXNQGHTA-SNVBAGLBSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)o1 ZINC000336726071 172050860 /nfs/dbraw/zinc/05/08/60/172050860.db2.gz VPLOHTMVSQLHIF-GMTAPVOTSA-N 0 1 237.347 2.498 20 0 BEADMN CCc1nnc(CNC2CC(C)(C)C2)s1 ZINC000336748956 172051677 /nfs/dbraw/zinc/05/16/77/172051677.db2.gz DEFONAFCLVNUKW-UHFFFAOYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H](C)C(C)C)s1 ZINC000308519267 172051995 /nfs/dbraw/zinc/05/19/95/172051995.db2.gz OBKPBBHPGLGLRW-QMMMGPOBSA-N 0 1 213.350 2.235 20 0 BEADMN CCc1nnc(SCCCCC(C)=O)[nH]1 ZINC000122244535 172062546 /nfs/dbraw/zinc/06/25/46/172062546.db2.gz HAXQYRWRXMIYSR-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCc1n[nH]c(SCCCCC(C)=O)n1 ZINC000122244535 172062549 /nfs/dbraw/zinc/06/25/49/172062549.db2.gz HAXQYRWRXMIYSR-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCc1nnc(SCc2cncc(F)c2)[nH]1 ZINC000281005813 172064791 /nfs/dbraw/zinc/06/47/91/172064791.db2.gz NVGQFIWHCMWEOG-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1n[nH]c(SCc2cncc(F)c2)n1 ZINC000281005813 172064793 /nfs/dbraw/zinc/06/47/93/172064793.db2.gz NVGQFIWHCMWEOG-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000357770364 172066298 /nfs/dbraw/zinc/06/62/98/172066298.db2.gz FWMONVOQCVTEFE-LPEHRKFASA-N 0 1 235.331 2.281 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@H](C)C2)n1 ZINC000336582031 172090584 /nfs/dbraw/zinc/09/05/84/172090584.db2.gz KPTHIWIXSGXZBB-IUCAKERBSA-N 0 1 209.293 2.035 20 0 BEADMN CCc1nocc1CN(C)CC[C@@H]1CCCO1 ZINC000339604942 172093675 /nfs/dbraw/zinc/09/36/75/172093675.db2.gz JMEPIBFVIFZDIT-LBPRGKRZSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1nocc1CN(C)CCc1cccnc1 ZINC000293384639 172094023 /nfs/dbraw/zinc/09/40/23/172094023.db2.gz KDCWWGSAVRAEHQ-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CCc1nocc1CN1CCC[C@@](C)(OC)C1 ZINC000353254281 172097538 /nfs/dbraw/zinc/09/75/38/172097538.db2.gz CSJLWKZTTLVZLQ-CYBMUJFWSA-N 0 1 238.331 2.238 20 0 BEADMN CCn1cc(CNCc2ccsc2)cn1 ZINC000020351203 172171464 /nfs/dbraw/zinc/17/14/64/172171464.db2.gz OAPXKBCZFJUCCE-UHFFFAOYSA-N 0 1 221.329 2.254 20 0 BEADMN CCn1ccnc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367459667 172219283 /nfs/dbraw/zinc/21/92/83/172219283.db2.gz VIDYGCBLLRRPLG-OLZOCXBDSA-N 0 1 249.358 2.046 20 0 BEADMN CCn1ccnc1CN1CC[C@@H](c2ccco2)C1 ZINC000374008213 172220321 /nfs/dbraw/zinc/22/03/21/172220321.db2.gz NWKJLTNVFWXMOU-GFCCVEGCSA-N 0 1 245.326 2.486 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CSC1(C)C ZINC000296267270 172229740 /nfs/dbraw/zinc/22/97/40/172229740.db2.gz BYIFLUGSJDCKGD-VHSXEESVSA-N 0 1 239.388 2.448 20 0 BEADMN CCn1nc(C)c(CN(C)C2CC2)c1C ZINC000153768478 172245319 /nfs/dbraw/zinc/24/53/19/172245319.db2.gz QWPPCLFEVAJEGY-UHFFFAOYSA-N 0 1 207.321 2.114 20 0 BEADMN CCn1nc(C)c(CN2CCSCC2)c1C ZINC000126189411 172246422 /nfs/dbraw/zinc/24/64/22/172246422.db2.gz SREUJAQXKSKELR-UHFFFAOYSA-N 0 1 239.388 2.069 20 0 BEADMN CCn1nc(C)c(CNCc2ccoc2)c1C ZINC000066995331 172246910 /nfs/dbraw/zinc/24/69/10/172246910.db2.gz LAIWIVHDTUWGRT-UHFFFAOYSA-N 0 1 233.315 2.403 20 0 BEADMN CCn1nccc1CN(C)[C@H](C)CCSC ZINC000129015576 172262949 /nfs/dbraw/zinc/26/29/49/172262949.db2.gz BAPMDNTWYPKSFE-LLVKDONJSA-N 0 1 241.404 2.476 20 0 BEADMN CCn1nccc1CN1CCC=C(C)C1 ZINC000335386668 172266113 /nfs/dbraw/zinc/26/61/13/172266113.db2.gz HCBKKVCXQVBGMF-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN CCn1nccc1CN1CCS[C@H](C)[C@@H]1C ZINC000127796710 172267295 /nfs/dbraw/zinc/26/72/95/172267295.db2.gz LSTSVQSHYVLZOP-WDEREUQCSA-N 0 1 239.388 2.229 20 0 BEADMN CN(C(=O)[C@@](C)(N)c1ccccc1)C1CCCC1 ZINC000052881442 172331149 /nfs/dbraw/zinc/33/11/49/172331149.db2.gz NRSNOJGJGXZWTM-HNNXBMFYSA-N 0 1 246.354 2.262 20 0 BEADMN CN(C(=O)c1ccn[nH]1)C1CCC(C)(C)CC1 ZINC000152823589 172339410 /nfs/dbraw/zinc/33/94/10/172339410.db2.gz XPMGKVHQBRFRTO-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN CN(C(=O)c1[nH]nc2ccccc21)C(C)(C)C ZINC000335399103 172347496 /nfs/dbraw/zinc/34/74/96/172347496.db2.gz MBESUEGRBRGHBS-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN CC(C)(C)C[N@H+](CC(=O)[O-])CC1CCC1 ZINC000662225113 487625979 /nfs/dbraw/zinc/62/59/79/487625979.db2.gz IQPLBRZXVOKGRJ-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CN1CCC[C@@H]1C(=O)N1CCCCC(C)(C)C1 ZINC000336462000 173023905 /nfs/dbraw/zinc/02/39/05/173023905.db2.gz AETPRDDDWIRLJM-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CN1CCN(CCc2ccccc2Cl)CC1 ZINC000027742848 173081538 /nfs/dbraw/zinc/08/15/38/173081538.db2.gz JVGWNFZECLCIOG-UHFFFAOYSA-N 0 1 238.762 2.130 20 0 BEADMN CN1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000279481816 173088560 /nfs/dbraw/zinc/08/85/60/173088560.db2.gz OHVMCHNZPSWOGX-UHFFFAOYSA-N 0 1 240.297 2.372 20 0 BEADMN CN1Cc2ccccc2[C@H](Nc2ncccn2)C1 ZINC000372297789 173201001 /nfs/dbraw/zinc/20/10/01/173201001.db2.gz KBBJLLHGGVROSH-CYBMUJFWSA-N 0 1 240.310 2.075 20 0 BEADMN CNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000058181891 173295634 /nfs/dbraw/zinc/29/56/34/173295634.db2.gz AHWBIEZSYRQPOH-RKDXNWHRSA-N 0 1 240.734 2.125 20 0 BEADMN CC(C)COCC[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662225600 487626954 /nfs/dbraw/zinc/62/69/54/487626954.db2.gz LTEHXBHNCBQDBV-UHFFFAOYSA-N 0 1 245.363 2.092 20 0 BEADMN COC(C)(C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000276653488 173929068 /nfs/dbraw/zinc/92/90/68/173929068.db2.gz DYCCDAOKTDFJSZ-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN COC1(CN[C@H](C)c2cc(C)on2)CCC1 ZINC000336775351 174004810 /nfs/dbraw/zinc/00/48/10/174004810.db2.gz YUFQFMYQWWNVNW-SNVBAGLBSA-N 0 1 224.304 2.203 20 0 BEADMN COC1CC(Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000336233341 174019904 /nfs/dbraw/zinc/01/99/04/174019904.db2.gz RZBYYNKJQAIDJF-UHFFFAOYSA-N 0 1 245.326 2.471 20 0 BEADMN COC1CCN(Cc2cc(O)cc(F)c2)CC1 ZINC000223753288 174029145 /nfs/dbraw/zinc/02/91/45/174029145.db2.gz MDCDNFAHTSYDEF-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN COCC(C)(C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000270099438 174068957 /nfs/dbraw/zinc/06/89/57/174068957.db2.gz QGMVYQJQULWQPE-UHFFFAOYSA-N 0 1 247.298 2.174 20 0 BEADMN COCC(C)(C)C[N@H+]1CCC[C@H]1CF ZINC000354519747 174070322 /nfs/dbraw/zinc/07/03/22/174070322.db2.gz HOAJGCODHIVUFF-JTQLQIEISA-N 0 1 203.301 2.093 20 0 BEADMN COCC1=CCN(Cc2ccc(C)nc2C)CC1 ZINC000360762388 174116729 /nfs/dbraw/zinc/11/67/29/174116729.db2.gz GDJTYBQNSNMRBI-UHFFFAOYSA-N 0 1 246.354 2.477 20 0 BEADMN COCC1=CCN([C@H](C)c2ccccn2)CC1 ZINC000185849656 174117217 /nfs/dbraw/zinc/11/72/17/174117217.db2.gz LOEMVYQTUFATLW-GFCCVEGCSA-N 0 1 232.327 2.421 20 0 BEADMN COCc1cc(=O)n(-c2cc(C)cc(C)c2)[nH]1 ZINC000103455055 174117541 /nfs/dbraw/zinc/11/75/41/174117541.db2.gz XVCNGFKMRKEIFN-UHFFFAOYSA-N 0 1 232.283 2.043 20 0 BEADMN COCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000274769704 174135680 /nfs/dbraw/zinc/13/56/80/174135680.db2.gz ZYQYZKHTNQCMAB-UHFFFAOYSA-N 0 1 247.653 2.160 20 0 BEADMN COCCCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091834652 174168490 /nfs/dbraw/zinc/16/84/90/174168490.db2.gz UHEKKRXUSAJBGI-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN COCCCCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000364726044 174178965 /nfs/dbraw/zinc/17/89/65/174178965.db2.gz WFPDYFNCRFTNIO-GFCCVEGCSA-N 0 1 237.347 2.363 20 0 BEADMN COCCCCCNCc1cscn1 ZINC000119767417 174182510 /nfs/dbraw/zinc/18/25/10/174182510.db2.gz CLUQZCJMTJTWMA-UHFFFAOYSA-N 0 1 214.334 2.049 20 0 BEADMN COCCCCN(C)Cc1nc(C)cs1 ZINC000118404319 174187563 /nfs/dbraw/zinc/18/75/63/174187563.db2.gz HAYGFBKPQHPSNK-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN COCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000375619388 174190707 /nfs/dbraw/zinc/19/07/07/174190707.db2.gz XNAIUDLYWAZQTH-CYBMUJFWSA-N 0 1 237.347 2.363 20 0 BEADMN COCCCCNCc1c(F)ccc(O)c1F ZINC000294348042 174199620 /nfs/dbraw/zinc/19/96/20/174199620.db2.gz SKTDEAZDAPRTRK-UHFFFAOYSA-N 0 1 245.269 2.187 20 0 BEADMN COCCCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148277 174235055 /nfs/dbraw/zinc/23/50/55/174235055.db2.gz NIEUTSCAWGXBFL-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN COCCNC1(c2nccs2)CCCC1 ZINC000053289414 174329908 /nfs/dbraw/zinc/32/99/08/174329908.db2.gz MVGVDFAYYZBROY-UHFFFAOYSA-N 0 1 226.345 2.148 20 0 BEADMN COCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375898542 174340327 /nfs/dbraw/zinc/34/03/27/174340327.db2.gz UOHAVGJJCNPRGQ-LBPRGKRZSA-N 0 1 237.347 2.267 20 0 BEADMN COCCOCCNc1ccnc(C)c1Cl ZINC000309396801 174359568 /nfs/dbraw/zinc/35/95/68/174359568.db2.gz SXSOZFHWVIBXTJ-UHFFFAOYSA-N 0 1 244.722 2.118 20 0 BEADMN COCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000194602087 174377949 /nfs/dbraw/zinc/37/79/49/174377949.db2.gz CWJPJYCHIDJQCX-UHFFFAOYSA-N 0 1 249.339 2.134 20 0 BEADMN COCC[C@@H](NCc1ncccn1)C(C)(C)C ZINC000338349250 174394084 /nfs/dbraw/zinc/39/40/84/174394084.db2.gz GRFFYUBXESKTIB-LLVKDONJSA-N 0 1 237.347 2.017 20 0 BEADMN COCC[C@@H]1CCCCN(Cc2ccon2)C1 ZINC000364150084 174394899 /nfs/dbraw/zinc/39/48/99/174394899.db2.gz MMQKMZBYMTXMDM-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN COCC[C@@H]1COCCN1Cc1cccc(C)c1 ZINC000368270358 174398867 /nfs/dbraw/zinc/39/88/67/174398867.db2.gz WEDVYMRIPRIUED-OAHLLOKOSA-N 0 1 249.354 2.232 20 0 BEADMN COC[C@@H](N[C@@H]1CCSC1)c1ccco1 ZINC000122299850 174487048 /nfs/dbraw/zinc/48/70/48/174487048.db2.gz LBOADGMXGGSPAK-NXEZZACHSA-N 0 1 227.329 2.062 20 0 BEADMN CO[C@@](C)(CNCc1ncc(C)s1)C1CC1 ZINC000295985218 174790635 /nfs/dbraw/zinc/79/06/35/174790635.db2.gz JTPXVEFQEIFEMJ-LBPRGKRZSA-N 0 1 240.372 2.356 20 0 BEADMN CO[C@H](C)CN[C@@H](C)c1csc(C)n1 ZINC000230639772 174835419 /nfs/dbraw/zinc/83/54/19/174835419.db2.gz RHZIWDCDRGGQDR-SFYZADRCSA-N 0 1 214.334 2.137 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@@H]1C(C)C ZINC000456356844 487629425 /nfs/dbraw/zinc/62/94/25/487629425.db2.gz XRXINHDDNPRGCG-GXTWGEPZSA-N 0 1 249.358 2.091 20 0 BEADMN COc1cc([C@@H](C)NC2CC2)c(F)cn1 ZINC000287038894 175012935 /nfs/dbraw/zinc/01/29/35/175012935.db2.gz RZIZPJBGUYBRLV-SSDOTTSWSA-N 0 1 210.252 2.042 20 0 BEADMN COc1cc([C@H](C)N[C@@H](C)c2cn[nH]c2)ccn1 ZINC000340542361 175015992 /nfs/dbraw/zinc/01/59/92/175015992.db2.gz MFXPJWYWFVJZAF-UWVGGRQHSA-N 0 1 246.314 2.225 20 0 BEADMN COc1ccc(CCN(C)Cc2cc[nH]n2)cc1 ZINC000358191075 175089427 /nfs/dbraw/zinc/08/94/27/175089427.db2.gz XYUWEWSNPLMOHJ-UHFFFAOYSA-N 0 1 245.326 2.093 20 0 BEADMN COc1ccc(CCN(C2CC2)C2COC2)cc1 ZINC000295321252 175090752 /nfs/dbraw/zinc/09/07/52/175090752.db2.gz GSGSUCIDMJVEST-UHFFFAOYSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000058266227 175100520 /nfs/dbraw/zinc/10/05/20/175100520.db2.gz MPMZHWAJLOZBFG-LBPRGKRZSA-N 0 1 249.310 2.134 20 0 BEADMN COc1ccc(CNCc2ccc(O)cc2)cn1 ZINC000020185952 175108181 /nfs/dbraw/zinc/10/81/81/175108181.db2.gz MGTCZECBXRPBOY-UHFFFAOYSA-N 0 1 244.294 2.086 20 0 BEADMN COc1ccc(CN[C@@H](C)CF)cc1OC ZINC000288349843 175109449 /nfs/dbraw/zinc/10/94/49/175109449.db2.gz BXXGRNUXIREEAQ-VIFPVBQESA-N 0 1 227.279 2.151 20 0 BEADMN COc1ccc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000339582642 175111922 /nfs/dbraw/zinc/11/19/22/175111922.db2.gz HAJNAZIGSWAZBW-MNOVXSKESA-N 0 1 224.279 2.070 20 0 BEADMN COc1ccc(F)cc1CNCc1ccn(C)c1 ZINC000275052919 175130325 /nfs/dbraw/zinc/13/03/25/175130325.db2.gz MEBCIXRSTCUXAA-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN COc1ccc(F)cc1[C@@H](C)NCc1cnc[nH]1 ZINC000054764776 175132656 /nfs/dbraw/zinc/13/26/56/175132656.db2.gz VUTZANFFKGKAKH-SECBINFHSA-N 0 1 249.289 2.408 20 0 BEADMN COc1ccc(SCc2c[nH]nn2)cc1 ZINC000352152517 175175339 /nfs/dbraw/zinc/17/53/39/175175339.db2.gz FVCMZVMIURPHSS-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN COc1ccc([C@@H](C)NCc2cn[nH]c2)cc1 ZINC000038005819 175177420 /nfs/dbraw/zinc/17/74/20/175177420.db2.gz OPXNDXYLRQNWEP-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccc([C@H](C)NCc2cn[nH]c2)cc1 ZINC000038005818 175189056 /nfs/dbraw/zinc/18/90/56/175189056.db2.gz OPXNDXYLRQNWEP-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccc2c(c1)CN(CCC(C)=O)CC2 ZINC000178727509 175210043 /nfs/dbraw/zinc/21/00/43/175210043.db2.gz KZDYAMVKQIAKER-UHFFFAOYSA-N 0 1 233.311 2.032 20 0 BEADMN COc1ccc2c(c1)[C@H](C(=O)NOC(C)C)CC2 ZINC000295791752 175215283 /nfs/dbraw/zinc/21/52/83/175215283.db2.gz ZELKOBYBSPXDBB-GFCCVEGCSA-N 0 1 249.310 2.181 20 0 BEADMN COc1cccc(CCCN2CCOC[C@H]2C)c1 ZINC000159091353 175251352 /nfs/dbraw/zinc/25/13/52/175251352.db2.gz JDGJQOXWAFALGN-CYBMUJFWSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CCCN2CCOC[C@@H]2C)c1 ZINC000159091465 175252203 /nfs/dbraw/zinc/25/22/03/175252203.db2.gz JDGJQOXWAFALGN-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CNCc2c(C)cnn2C)c1 ZINC000285549598 175265419 /nfs/dbraw/zinc/26/54/19/175265419.db2.gz UOQYUUDDODMREZ-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN COc1cccc(CNCc2cc[nH]c2)c1OC ZINC000086251310 175265448 /nfs/dbraw/zinc/26/54/48/175265448.db2.gz DGBQIQUATIZWLV-UHFFFAOYSA-N 0 1 246.310 2.322 20 0 BEADMN COc1cccc(CN[C@@H]2CSC2(C)C)n1 ZINC000282980246 175266871 /nfs/dbraw/zinc/26/68/71/175266871.db2.gz ZSGJWBFHFHNNCN-SNVBAGLBSA-N 0 1 238.356 2.074 20 0 BEADMN COc1cccc(CN[C@H](C)c2cnn(C)c2)c1 ZINC000044498921 175268103 /nfs/dbraw/zinc/26/81/03/175268103.db2.gz FVNHZSUVROLXRS-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000229883794 175330259 /nfs/dbraw/zinc/33/02/59/175330259.db2.gz SFUYQRUKWSLINE-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccccc1[C@@H](C)NCc1cnn(C)c1 ZINC000020097006 175344698 /nfs/dbraw/zinc/34/46/98/175344698.db2.gz IHNNDFFXTPNFNV-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccnc(CN2CCCCC2)c1 ZINC000106859304 175358506 /nfs/dbraw/zinc/35/85/06/175358506.db2.gz BGXXXQZMENFSSF-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN COc1ccnc(NCc2cnccc2C)c1 ZINC000354558866 175365859 /nfs/dbraw/zinc/36/58/59/175365859.db2.gz AVSPOGCJNXIXLA-UHFFFAOYSA-N 0 1 229.283 2.406 20 0 BEADMN C[C@@H](C(=O)Nc1nc(C2CCC2)n[nH]1)C1CCC1 ZINC000333969483 175622198 /nfs/dbraw/zinc/62/21/98/175622198.db2.gz USOZKKQVHDIMML-MRVPVSSYSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H](C(=O)Nc1n[nH]c(C2CCC2)n1)C1CCC1 ZINC000333969483 175622199 /nfs/dbraw/zinc/62/21/99/175622199.db2.gz USOZKKQVHDIMML-MRVPVSSYSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccs1)C1CC1 ZINC000042516186 175624926 /nfs/dbraw/zinc/62/49/26/175624926.db2.gz XZSAUTQNNRGKAX-QMMMGPOBSA-N 0 1 225.313 2.186 20 0 BEADMN C[C@@H](Cn1ccnc1)N[C@@H](C)c1nccs1 ZINC000083142992 175784455 /nfs/dbraw/zinc/78/44/55/175784455.db2.gz QYRHBNAFINZGKZ-UWVGGRQHSA-N 0 1 236.344 2.079 20 0 BEADMN C[C@@H](NCC1(C)OCCO1)c1ccccc1F ZINC000179574139 175867555 /nfs/dbraw/zinc/86/75/55/175867555.db2.gz NZMFRCPSUHELIS-SNVBAGLBSA-N 0 1 239.290 2.239 20 0 BEADMN C[C@@H](NCc1cccc(F)c1)c1ccc(=O)[nH]n1 ZINC000353436575 175899331 /nfs/dbraw/zinc/89/93/31/175899331.db2.gz PHTFBLDIVIDPDD-SECBINFHSA-N 0 1 247.273 2.172 20 0 BEADMN C[C@@H](O)c1ncc(CNCc2ccccc2)s1 ZINC000289985816 176000923 /nfs/dbraw/zinc/00/09/23/176000923.db2.gz DSKBMAIYVGHXLS-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](CO)C1 ZINC000174708089 176014409 /nfs/dbraw/zinc/01/44/09/176014409.db2.gz VESDZFYGAHZNEH-UWVGGRQHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)CCCCCO ZINC000271082408 176025745 /nfs/dbraw/zinc/02/57/45/176025745.db2.gz KMNULLBXLODLFU-LBPRGKRZSA-N 0 1 222.332 2.237 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000289778933 176026684 /nfs/dbraw/zinc/02/66/84/176026684.db2.gz IYQWJMPMKPRBBZ-WCQYABFASA-N 0 1 236.359 2.481 20 0 BEADMN C[C@@H](c1ccccn1)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293508774 176027662 /nfs/dbraw/zinc/02/76/62/176027662.db2.gz UYLFRESEHVZMGL-XQQFMLRXSA-N 0 1 233.359 2.167 20 0 BEADMN C[C@@H]1CC(NC(=O)c2cnccc2N)C[C@@H](C)C1 ZINC000128038437 176054199 /nfs/dbraw/zinc/05/41/99/176054199.db2.gz BARIWNLWVSFYJM-UWVGGRQHSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@@H]1CC/C(=C\C(=O)NCCN2CC=CCC2)C1 ZINC000280292090 176057335 /nfs/dbraw/zinc/05/73/35/176057335.db2.gz RGOKKARZCFIKSH-MNWMYKRDSA-N 0 1 248.370 2.111 20 0 BEADMN C[C@@H]1CCCCN(CC(=O)c2cccn2C)C1 ZINC000187946701 176065850 /nfs/dbraw/zinc/06/58/50/176065850.db2.gz UOIQEHGUZUYING-GFCCVEGCSA-N 0 1 234.343 2.330 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)c1cnccc1N ZINC000127346288 176076349 /nfs/dbraw/zinc/07/63/49/176076349.db2.gz WJHHNWCMTGIAQY-GHMZBOCLSA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@](C)(N)c2ccccc2)C1 ZINC000052880987 176093508 /nfs/dbraw/zinc/09/35/08/176093508.db2.gz LCISCJMHKLYOCS-DOMZBBRYSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000074732426 176095785 /nfs/dbraw/zinc/09/57/85/176095785.db2.gz IFICXZFCXVXYBD-SNVBAGLBSA-N 0 1 243.310 2.435 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@H]1C(=O)[O-] ZINC000300269306 176101871 /nfs/dbraw/zinc/10/18/71/176101871.db2.gz COXIIEYQADXTMC-ZWNOBZJWSA-N 0 1 249.310 2.077 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000072874575 176110780 /nfs/dbraw/zinc/11/07/80/176110780.db2.gz XXIRVRRTHHBQCO-MRVPVSSYSA-N 0 1 249.339 2.381 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338597896 176117059 /nfs/dbraw/zinc/11/70/59/176117059.db2.gz YXZIZFMKJIXFSS-UPJWGTAASA-N 0 1 229.339 2.219 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC000354292453 176118323 /nfs/dbraw/zinc/11/83/23/176118323.db2.gz VCHZXOZJDITHEQ-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@](C)(N)c1ccccc1 ZINC000221431710 176130438 /nfs/dbraw/zinc/13/04/38/176130438.db2.gz CSCVLBPRHCHVPQ-ZLDLUXBVSA-N 0 1 246.354 2.165 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)c1cnccc1N(C)C ZINC000273445518 176130832 /nfs/dbraw/zinc/13/08/32/176130832.db2.gz BSNMFBHHLVFGEH-PWSUYJOCSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC000354292450 176138800 /nfs/dbraw/zinc/13/88/00/176138800.db2.gz VCHZXOZJDITHEQ-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN(C)C2CC2)[C@@H]1C ZINC000046060161 176141375 /nfs/dbraw/zinc/14/13/75/176141375.db2.gz CNLLJMLFFVTVRZ-WZRBSPASSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000354241402 176142091 /nfs/dbraw/zinc/14/20/91/176142091.db2.gz RUGLKGONGZGFJO-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000354241401 176142137 /nfs/dbraw/zinc/14/21/37/176142137.db2.gz RUGLKGONGZGFJO-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCC[C@H](NCc2ncccn2)C1 ZINC000054459143 176144406 /nfs/dbraw/zinc/14/44/06/176144406.db2.gz CCDGHJMBPNUCTF-MNOVXSKESA-N 0 1 205.305 2.145 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000112827400 176149911 /nfs/dbraw/zinc/14/99/11/176149911.db2.gz XSAUSDJIAPONDW-MWLCHTKSSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@@H]1C ZINC000177051135 176165058 /nfs/dbraw/zinc/16/50/58/176165058.db2.gz GUFUQWHSNUXNQW-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1CCN(Cc2cn3cccnc3n2)C[C@@H]1C ZINC000122704656 176177301 /nfs/dbraw/zinc/17/73/01/176177301.db2.gz KCLZPAGQOSMEBZ-NEPJUHHUSA-N 0 1 244.342 2.207 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(c2ccncc2C(N)=O)C1 ZINC000302154656 176181634 /nfs/dbraw/zinc/18/16/34/176181634.db2.gz MZQCNLYPOMHZGG-GHMZBOCLSA-N 0 1 247.342 2.053 20 0 BEADMN C[C@@H]1CCOCCN1Cc1cccc(F)c1 ZINC000374991021 176189992 /nfs/dbraw/zinc/18/99/92/176189992.db2.gz WKMMYZHUSILBFY-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@H](NCC(F)(F)CO)C1 ZINC000300397858 176199531 /nfs/dbraw/zinc/19/95/31/176199531.db2.gz QBOIBSSUGYXUQQ-OPRDCNLKSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000249105164 176210101 /nfs/dbraw/zinc/21/01/01/176210101.db2.gz PDKKCJRCQVVUSN-XYPYZODXSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC000193254737 176210664 /nfs/dbraw/zinc/21/06/64/176210664.db2.gz VAJRNFSZXOTYIM-NQBHXWOUSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCC2)[C@H](C)CN1C ZINC000336369497 176244740 /nfs/dbraw/zinc/24/47/40/176244740.db2.gz YKWONYVNQXPMQA-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](CC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000188438320 176247463 /nfs/dbraw/zinc/24/74/63/176247463.db2.gz UMCOZCQQOIGNOS-CHWSQXEVSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)C(C)(C)C ZINC000358712475 176257171 /nfs/dbraw/zinc/25/71/71/176257171.db2.gz IHHPTWMNXABRCO-UTUOFQBUSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@H]2CCCC[C@H]12 ZINC000183852870 176260491 /nfs/dbraw/zinc/26/04/91/176260491.db2.gz YVHJPIBEGFSJBL-FOGDFJRCSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1C ZINC000283303403 176261612 /nfs/dbraw/zinc/26/16/12/176261612.db2.gz AAMKJCPZCXZORA-PHIMTYICSA-N 0 1 243.310 2.062 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1C(=O)[O-] ZINC000335445604 487633584 /nfs/dbraw/zinc/63/35/84/487633584.db2.gz XPYZDNMZYVTHRQ-MNOVXSKESA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CN(CC2CCCCCC2)CC[S@@]1=O ZINC000336613640 176286065 /nfs/dbraw/zinc/28/60/65/176286065.db2.gz WDOUJRZNJIBEOH-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN C[C@@H]1CN(CCCC2CCOCC2)CCC1=O ZINC000338571662 176288101 /nfs/dbraw/zinc/28/81/01/176288101.db2.gz XHCOUPIMYNYGNZ-GFCCVEGCSA-N 0 1 239.359 2.104 20 0 BEADMN C[C@@H]1CN(CCCCO)C[C@@H](c2ccccc2)O1 ZINC000263983790 176288662 /nfs/dbraw/zinc/28/86/62/176288662.db2.gz GWAJTPRUSQOKSJ-HIFRSBDPSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@@H]1CN(CCOC(C)(C)C)C[C@H](C2CC2)O1 ZINC000373510688 176293041 /nfs/dbraw/zinc/29/30/41/176293041.db2.gz UOHBUNVFXMTNII-DGCLKSJQSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(CCOCC(F)(F)C(F)F)[C@@H]1C ZINC000339584505 176293194 /nfs/dbraw/zinc/29/31/94/176293194.db2.gz YRYHUIYPAMZIDE-HTQZYQBOSA-N 0 1 243.244 2.244 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)CC(C)(C)O1 ZINC000172075840 176294377 /nfs/dbraw/zinc/29/43/77/176294377.db2.gz WSTGGWXJFDSRDG-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1CO ZINC000191720413 176301920 /nfs/dbraw/zinc/30/19/20/176301920.db2.gz PODRHLLLNUJAOH-KOLCDFICSA-N 0 1 241.281 2.025 20 0 BEADMN C[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)[C@@H]1C ZINC000293003196 176305208 /nfs/dbraw/zinc/30/52/08/176305208.db2.gz NEIFKKKJXKDQJS-VXGBXAGGSA-N 0 1 246.354 2.229 20 0 BEADMN C[C@@H]1CNCCN1C(=O)CCCC1CCCC1 ZINC000124872696 176326118 /nfs/dbraw/zinc/32/61/18/176326118.db2.gz VERZFVXNTSSXSW-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1COCC[C@@H]1NCc1csc(Cl)n1 ZINC000295996323 176341410 /nfs/dbraw/zinc/34/14/10/176341410.db2.gz MJODOQINAXGTIO-APPZFPTMSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@@H]1COCC[C@H]1NCc1csc(Cl)n1 ZINC000295996326 176344702 /nfs/dbraw/zinc/34/47/02/176344702.db2.gz MJODOQINAXGTIO-VXNVDRBHSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@@H]1CSCCN(Cc2ccc(F)cn2)C1 ZINC000276981833 176350620 /nfs/dbraw/zinc/35/06/20/176350620.db2.gz ZLSSTZSNMZZSAF-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN C[C@@H]1CSC[C@@H]1Nc1ccc2nn[nH]c2c1 ZINC000295913157 176354245 /nfs/dbraw/zinc/35/42/45/176354245.db2.gz ZOXJRNASXJJGGD-HQJQHLMTSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@@H]1CSC[C@@H]1Nc1ccc2n[nH]nc2c1 ZINC000295913157 176354246 /nfs/dbraw/zinc/35/42/46/176354246.db2.gz ZOXJRNASXJJGGD-HQJQHLMTSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@@H]1C[C@@H](NCCOC2CCCC2)c2nccn21 ZINC000345344052 176374834 /nfs/dbraw/zinc/37/48/34/176374834.db2.gz ADBJEAPNAJTFST-DGCLKSJQSA-N 0 1 249.358 2.438 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CSC2(C)C)c2nccn21 ZINC000296615084 176378749 /nfs/dbraw/zinc/37/87/49/176378749.db2.gz YSZUSVMMGIYSFB-BBBLOLIVSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CC2(C)C)c2nccn21 ZINC000293835754 176378851 /nfs/dbraw/zinc/37/88/51/176378851.db2.gz BNYWLCGZVLQILW-BBBLOLIVSA-N 0 1 205.305 2.277 20 0 BEADMN Cc1c[nH]nc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299066 487634675 /nfs/dbraw/zinc/63/46/75/487634675.db2.gz SFUPJTJRLRVDOA-JQWIXIFHSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1c[nH]nc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299066 487634677 /nfs/dbraw/zinc/63/46/77/487634677.db2.gz SFUPJTJRLRVDOA-JQWIXIFHSA-N 0 1 205.305 2.093 20 0 BEADMN C[C@H](CF)NCC1=Cc2ccccc2OC1 ZINC000288377936 176647155 /nfs/dbraw/zinc/64/71/55/176647155.db2.gz FUHUTYFYGLCJID-SNVBAGLBSA-N 0 1 221.275 2.410 20 0 BEADMN C[C@H](c1cccc(O)c1)N(C)Cc1cnc[nH]1 ZINC000093315686 177037282 /nfs/dbraw/zinc/03/72/82/177037282.db2.gz DMFRNXUEDULGEY-SNVBAGLBSA-N 0 1 231.299 2.308 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000336709164 177048918 /nfs/dbraw/zinc/04/89/18/177048918.db2.gz WANFPADYUAQPRI-GHMZBOCLSA-N 0 1 241.356 2.156 20 0 BEADMN C[C@H]1CC2(CCC2)CN1c1ncnc2[nH]cnc21 ZINC000373018309 177067937 /nfs/dbraw/zinc/06/79/37/177067937.db2.gz KNLCFFXEWVIHIJ-VIFPVBQESA-N 0 1 243.314 2.122 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000354853283 177071888 /nfs/dbraw/zinc/07/18/88/177071888.db2.gz RFUQJENMVVVYCY-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC1CCC1 ZINC000111696505 177072466 /nfs/dbraw/zinc/07/24/66/177072466.db2.gz JLMVFPLJBXXHJA-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000035432921 177079192 /nfs/dbraw/zinc/07/91/92/177079192.db2.gz IGAHZIWKWMYJET-VIFPVBQESA-N 0 1 223.272 2.352 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccn[nH]1 ZINC000049226846 177086697 /nfs/dbraw/zinc/08/66/97/177086697.db2.gz VYHHYBLRULPROE-GXSJLCMTSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@H]1CCCC[C@H]1Nc1ccncc1C(N)=O ZINC000302031053 177089686 /nfs/dbraw/zinc/08/96/86/177089686.db2.gz NFKCRPDARUZNRB-GXSJLCMTSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@H]1CCC[N@H+]1CCOc1cccc(C(=O)[O-])c1 ZINC000037911379 177109663 /nfs/dbraw/zinc/10/96/63/177109663.db2.gz HVXMNSASIUVQJL-NSHDSACASA-N 0 1 249.310 2.248 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000249083806 177116867 /nfs/dbraw/zinc/11/68/67/177116867.db2.gz IDHVBTHKKBUEQO-YABSGUDNSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1Cc1cc(=O)c(O)co1 ZINC000080655895 177116918 /nfs/dbraw/zinc/11/69/18/177116918.db2.gz IMUQIKXEYGEAFN-AOOOYVTPSA-N 0 1 237.299 2.108 20 0 BEADMN C[C@H]1CCC[C@H]([N@@H+](C)Cc2c[nH]cn2)C1 ZINC000180044401 177133830 /nfs/dbraw/zinc/13/38/30/177133830.db2.gz ZRCFGUVHKLITMY-JQWIXIFHSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@H]1CCC[C@H](Nc2ccncc2C(N)=O)C1 ZINC000302231969 177138342 /nfs/dbraw/zinc/13/83/42/177138342.db2.gz SGEICAMPJNSGMK-UWVGGRQHSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000228309670 177153629 /nfs/dbraw/zinc/15/36/29/177153629.db2.gz JVQYDOVJFURFMW-QMMMGPOBSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@H]1CCN(CC(=O)c2cccn2C)[C@@H](C)C1 ZINC000225738914 177159170 /nfs/dbraw/zinc/15/91/70/177159170.db2.gz GXNBBEROUQJWKL-RYUDHWBXSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000274473188 177166332 /nfs/dbraw/zinc/16/63/32/177166332.db2.gz KKPVIILHBPSRQH-QMMMGPOBSA-N 0 1 229.274 2.200 20 0 BEADMN C[C@H]1CCN[C@@H](c2nc(-c3ccco3)no2)C1 ZINC000127973858 177175288 /nfs/dbraw/zinc/17/52/88/177175288.db2.gz OPWRQHVOJIHMDH-DTWKUNHWSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@H]1CCOCCN1Cc1cccc(F)c1 ZINC000374991022 177177879 /nfs/dbraw/zinc/17/78/79/177177879.db2.gz WKMMYZHUSILBFY-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H](C(=O)Nc1ccccn1)N1[C@H](C)CC[C@@H]1C ZINC000249733234 177187004 /nfs/dbraw/zinc/18/70/04/177187004.db2.gz CEAIUNDQDCLVFQ-GRYCIOLGSA-N 0 1 247.342 2.281 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(O)c1 ZINC000336616066 177199120 /nfs/dbraw/zinc/19/91/20/177199120.db2.gz VWODBHAOHICBIY-QWRGUYRKSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@H]1CC[C@H](CN(C)CCC(F)(F)F)O1 ZINC000336690764 177200782 /nfs/dbraw/zinc/20/07/82/177200782.db2.gz KCPVTDCMUKQNEG-DTWKUNHWSA-N 0 1 225.254 2.438 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000336541767 177204600 /nfs/dbraw/zinc/20/46/00/177204600.db2.gz NQJSLNXXJYRXQN-QWRGUYRKSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)N1C ZINC000358705739 177214536 /nfs/dbraw/zinc/21/45/36/177214536.db2.gz ADDVUKVWUMWDFD-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CN(C(=O)CCC2CCC2)C[C@H](C)N1C ZINC000358736896 177214937 /nfs/dbraw/zinc/21/49/37/177214937.db2.gz MRXJKUHDTXRGFN-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1[nH]nc2ccccc21 ZINC000294400931 177231815 /nfs/dbraw/zinc/23/18/15/177231815.db2.gz YPOOEKBOFUUUJC-DTWKUNHWSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@H]1CCN(c2ccncc2C(N)=O)C[C@@H](C)C1 ZINC000302154660 177310211 /nfs/dbraw/zinc/31/02/11/177310211.db2.gz MZQCNLYPOMHZGG-QWRGUYRKSA-N 0 1 247.342 2.053 20 0 BEADMN C[C@H]1C[C@@H](NCCc2nccs2)c2nccn21 ZINC000293894918 177331986 /nfs/dbraw/zinc/33/19/86/177331986.db2.gz GUJUDNSTVCDBQV-VHSXEESVSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H]1C[C@@H](NCCc2cscn2)c2nccn21 ZINC000345347698 177332758 /nfs/dbraw/zinc/33/27/58/177332758.db2.gz FCLJQPFLLHYYQQ-GXSJLCMTSA-N 0 1 248.355 2.178 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN2CCC(O)CC2)o1 ZINC000271045275 177351528 /nfs/dbraw/zinc/35/15/28/177351528.db2.gz QJWPKJBXKROKQG-GWCFXTLKSA-N 0 1 235.327 2.360 20 0 BEADMN C[C@@H]1CCN(CC(=O)c2cccn2C)[C@@H](C)C1 ZINC000225738886 177356191 /nfs/dbraw/zinc/35/61/91/177356191.db2.gz GXNBBEROUQJWKL-NEPJUHHUSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1C[C@H](O)CN1c1ccnc2ccccc21 ZINC000336057183 177374712 /nfs/dbraw/zinc/37/47/12/177374712.db2.gz IPQVOTFQMCUJBR-QWRGUYRKSA-N 0 1 228.295 2.194 20 0 BEADMN C[C@H]1C[C@H]1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000352308636 177378766 /nfs/dbraw/zinc/37/87/66/177378766.db2.gz YNCAYNDFUWEGAE-YUMQZZPRSA-N 0 1 246.270 2.049 20 0 BEADMN C[C@H]1C[C@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000276671339 177380748 /nfs/dbraw/zinc/38/07/48/177380748.db2.gz SZOOTQFEDVJQPJ-UWVGGRQHSA-N 0 1 247.342 2.064 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H]1C=CCC1 ZINC000050183241 177548025 /nfs/dbraw/zinc/54/80/25/177548025.db2.gz WRFCJEIUBGTFCX-GFCCVEGCSA-N 0 1 247.342 2.123 20 0 BEADMN FC(F)(F)C1(CN[C@@H]2CCn3ccnc32)CC1 ZINC001652432390 1173079948 /nfs/dbraw/zinc/07/99/48/1173079948.db2.gz GEHVGNHLOIVWJV-MRVPVSSYSA-N 0 1 245.248 2.260 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc2cccnc21 ZINC000038017827 487639034 /nfs/dbraw/zinc/63/90/34/487639034.db2.gz NIVXZRUGKKDGOV-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN Cc1noc([C@@H](C)N2CC[C@@H](C(C)C)C2)n1 ZINC000674868686 487638776 /nfs/dbraw/zinc/63/87/76/487638776.db2.gz WRTNKVLLKKDFHY-MWLCHTKSSA-N 0 1 223.320 2.417 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2CC[C@H](C)C2)[nH]1 ZINC001652464151 1173085900 /nfs/dbraw/zinc/08/59/00/1173085900.db2.gz VOZSITWNEPMGTC-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN COC[C@@H]1CCCN1Cc1nc(C)c(C)s1 ZINC000674875139 487640955 /nfs/dbraw/zinc/64/09/55/487640955.db2.gz FGILJWCQXKESNE-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN C[C@H]1C[C@H](O)CN1Cc1cc2c(cccc2F)[nH]1 ZINC000471810911 225083913 /nfs/dbraw/zinc/08/39/13/225083913.db2.gz QHUQGWJXXJATCE-ONGXEEELSA-N 0 1 248.301 2.262 20 0 BEADMN COC[C@@]1(C)CCN(Cc2nc(C)c(C)o2)C1 ZINC000487052675 225284950 /nfs/dbraw/zinc/28/49/50/225284950.db2.gz XYSUSEMLDRMAPE-ZDUSSCGKSA-N 0 1 238.331 2.150 20 0 BEADMN C[C@H]1C[C@H]1CNCc1nc(-c2ccccc2)no1 ZINC000488568923 225418866 /nfs/dbraw/zinc/41/88/66/225418866.db2.gz BTKIPVBDXKBHLI-JQWIXIFHSA-N 0 1 243.310 2.482 20 0 BEADMN FC(F)C1(NCc2[nH]nc3ccccc32)CC1 ZINC000669686726 487648508 /nfs/dbraw/zinc/64/85/08/487648508.db2.gz VKOVIXJDJSTUGV-UHFFFAOYSA-N 0 1 237.253 2.450 20 0 BEADMN Fc1cncc(CNc2ccc3nn[nH]c3c2)c1 ZINC000494596033 226266742 /nfs/dbraw/zinc/26/67/42/226266742.db2.gz KJQJAVOCOZAENC-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN Fc1cncc(CNc2ccc3n[nH]nc3c2)c1 ZINC000494596033 226266743 /nfs/dbraw/zinc/26/67/43/226266743.db2.gz KJQJAVOCOZAENC-UHFFFAOYSA-N 0 1 243.245 2.104 20 0 BEADMN CCn1cc(CCN2CC[C@H](C)[C@H](F)C2)cn1 ZINC000671626546 487652709 /nfs/dbraw/zinc/65/27/09/487652709.db2.gz VTYBSDXOMQHBKL-WCQYABFASA-N 0 1 239.338 2.125 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2CCOC2)o1 ZINC000087415965 487655229 /nfs/dbraw/zinc/65/52/29/487655229.db2.gz BDOOGNXWZPANSW-HOSYDEDBSA-N 0 1 221.300 2.282 20 0 BEADMN CCC1(C(=O)NCc2cc(C)[nH]n2)CCCC1 ZINC000674924553 487655678 /nfs/dbraw/zinc/65/56/78/487655678.db2.gz NXENDZXACSNPQR-UHFFFAOYSA-N 0 1 235.331 2.305 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000309128474 487656234 /nfs/dbraw/zinc/65/62/34/487656234.db2.gz BTDINUOPDMUZCQ-WOPDTQHZSA-N 0 1 227.348 2.464 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)C(C)(F)F ZINC000328328387 487657735 /nfs/dbraw/zinc/65/77/35/487657735.db2.gz GSZBGWSEKPNPJJ-RNFRBKRXSA-N 0 1 231.246 2.253 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cnc(CC)nc2)C1 ZINC000666292579 487662244 /nfs/dbraw/zinc/66/22/44/487662244.db2.gz ULONZQXFKBHKRJ-CYBMUJFWSA-N 0 1 249.358 2.040 20 0 BEADMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc(Cl)s1 ZINC000680898830 487663036 /nfs/dbraw/zinc/66/30/36/487663036.db2.gz MIBDHBWCHMJYPO-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@H]1CN(c2ncc(Cl)s2)[C@@H](C)CN1C ZINC000680898830 487663038 /nfs/dbraw/zinc/66/30/38/487663038.db2.gz MIBDHBWCHMJYPO-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@@H]1CCN(CCO[C@H]2CCCCO2)C[C@@H]1F ZINC000683524094 487667739 /nfs/dbraw/zinc/66/77/39/487667739.db2.gz VHJRDQIGYOODIM-AGIUHOORSA-N 0 1 245.338 2.210 20 0 BEADMN CC[C@@](C)(CNCc1ncc(C)s1)OC ZINC000394720285 262745261 /nfs/dbraw/zinc/74/52/61/262745261.db2.gz DUUJVMNOUBIHDQ-NSHDSACASA-N 0 1 228.361 2.356 20 0 BEADMN CN(CC1OCCO1)CC1(c2ccccc2)CC1 ZINC000275473979 487669309 /nfs/dbraw/zinc/66/93/09/487669309.db2.gz PMJCJCRZQLQCPO-UHFFFAOYSA-N 0 1 247.338 2.023 20 0 BEADMN C/C(Cl)=C/CN(C)[C@@H]1CCCOC1 ZINC000528503125 262750027 /nfs/dbraw/zinc/75/00/27/262750027.db2.gz CXJXOTUWLFHRKZ-HYHWUIIZSA-N 0 1 203.713 2.240 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1c1ncc(Cl)s1 ZINC000680899926 487669870 /nfs/dbraw/zinc/66/98/70/487669870.db2.gz YHFPBKYNYZMFDK-JGVFFNPUSA-N 0 1 245.779 2.325 20 0 BEADMN C[C@H](CC(C)(C)C)N[C@@H](C)c1ncn(C)n1 ZINC000391875614 262756597 /nfs/dbraw/zinc/75/65/97/262756597.db2.gz MZOIBAOQLNCJDF-ZJUUUORDSA-N 0 1 224.352 2.290 20 0 BEADMN Cc1ccc(C(=O)CCN2CCCOCC2)cc1 ZINC000061934079 229150285 /nfs/dbraw/zinc/15/02/85/229150285.db2.gz GOUKZMGNBFIUSX-UHFFFAOYSA-N 0 1 247.338 2.290 20 0 BEADMN C[C@H](N[C@@H]1CCOC[C@H]1C)C(C)(F)F ZINC000307548410 229215570 /nfs/dbraw/zinc/21/55/70/229215570.db2.gz OBJYNYRFYIKZTA-HRDYMLBCSA-N 0 1 207.264 2.045 20 0 BEADMN CC(C)(C)C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000457009349 487672842 /nfs/dbraw/zinc/67/28/42/487672842.db2.gz GWIKONSSYGDBCK-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN Clc1cnccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087792003 487686598 /nfs/dbraw/zinc/68/65/98/487686598.db2.gz ZQRASYOSXZPMTQ-JLLWLGSASA-N 0 1 238.718 2.145 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+](C)C[C@H](C)CC)n1 ZINC000176881458 487687616 /nfs/dbraw/zinc/68/76/16/487687616.db2.gz FFCDCPMUJSLSOI-SNVBAGLBSA-N 0 1 237.347 2.223 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C[C@H](C)CC)n1 ZINC000176881458 487687622 /nfs/dbraw/zinc/68/76/22/487687622.db2.gz FFCDCPMUJSLSOI-SNVBAGLBSA-N 0 1 237.347 2.223 20 0 BEADMN CCC(C)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000680996653 487689401 /nfs/dbraw/zinc/68/94/01/487689401.db2.gz JHRGKLPCZGXBIZ-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC1(C)C[C@H](N2CC3(C2)CC(F)(F)C3)CO1 ZINC000660147697 487693015 /nfs/dbraw/zinc/69/30/15/487693015.db2.gz PICSXFBVWYYGDF-VIFPVBQESA-N 0 1 231.286 2.285 20 0 BEADMN c1csc(CCNCc2ccon2)c1 ZINC000088053785 487696078 /nfs/dbraw/zinc/69/60/78/487696078.db2.gz OMZYILGCXIZAJG-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN Cc1ccnc(CN(C)[C@@H]2CCCOC2)c1 ZINC000671704209 487697886 /nfs/dbraw/zinc/69/78/86/487697886.db2.gz GCTVAWIVAHXATE-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN CCO[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000681021277 487698190 /nfs/dbraw/zinc/69/81/90/487698190.db2.gz SGVAYXIKXQWYIU-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN Cc1nnc(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)s1 ZINC000527690479 262878357 /nfs/dbraw/zinc/87/83/57/262878357.db2.gz HHLXDGIIIIWJBC-GGVZMXCHSA-N 0 1 237.372 2.371 20 0 BEADMN CCc1ccc(CN[C@]23C[C@H]2COC3(C)C)o1 ZINC000527765165 262880611 /nfs/dbraw/zinc/88/06/11/262880611.db2.gz INLAVBDQVOBRJI-IINYFYTJSA-N 0 1 235.327 2.499 20 0 BEADMN c1n[nH]cc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000527771615 262881041 /nfs/dbraw/zinc/88/10/41/262881041.db2.gz KVBARINUCLIEAY-CQSZACIVSA-N 0 1 242.326 2.436 20 0 BEADMN C/C(Cl)=C/CN1CC[C@H](O)C(C)(C)C1 ZINC000528478703 262951365 /nfs/dbraw/zinc/95/13/65/262951365.db2.gz ZPUPAPHYOWDEIX-FWAPLPHYSA-N 0 1 217.740 2.222 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCC1CC1 ZINC000083934877 487701792 /nfs/dbraw/zinc/70/17/92/487701792.db2.gz QNXIUWZNPLEVLT-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)C[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000120839754 490069818 /nfs/dbraw/zinc/06/98/18/490069818.db2.gz HMYODWLDQMRJMA-JTQLQIEISA-N 0 1 249.358 2.453 20 0 BEADMN CC/C=C\CCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000671718159 487705144 /nfs/dbraw/zinc/70/51/44/487705144.db2.gz COASTXCSTYFCGF-JHZNUDOXSA-N 0 1 239.359 2.223 20 0 BEADMN COc1ccc(CN2CCC3(CCC3)CC2)nn1 ZINC000671728813 487711417 /nfs/dbraw/zinc/71/14/17/487711417.db2.gz JYPWRKXZRZTVHK-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN CCc1cccc(NC(=O)[C@H](C)N(C)C)c1 ZINC000674243585 487714849 /nfs/dbraw/zinc/71/48/49/487714849.db2.gz MUSWMCQLNVGPIL-JTQLQIEISA-N 0 1 220.316 2.138 20 0 BEADMN C[C@@H](C(=O)Nc1cccc2c1CCCC2)N(C)C ZINC000674244909 487718058 /nfs/dbraw/zinc/71/80/58/487718058.db2.gz QSQQUQQVMNJKEF-NSHDSACASA-N 0 1 246.354 2.454 20 0 BEADMN C[C@@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)N(C)C ZINC000674246389 487721718 /nfs/dbraw/zinc/72/17/18/487721718.db2.gz KDEWMLKRRJUEEL-VOAKCMCISA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)N(C)C ZINC000674246378 487721766 /nfs/dbraw/zinc/72/17/66/487721766.db2.gz KDEWMLKRRJUEEL-MROQNXINSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H](C(=O)N1CCC[C@H]1CC(C)(C)C)N(C)C ZINC000674246604 487722583 /nfs/dbraw/zinc/72/25/83/487722583.db2.gz ONXSYIAZKWNSBK-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[N@@H+](CC)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903595026 584785356 /nfs/dbraw/zinc/78/53/56/584785356.db2.gz IOKWPXTUIIIMSO-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN COc1cccc(CN(C)Cc2cnc[nH]2)c1F ZINC000668422131 487725382 /nfs/dbraw/zinc/72/53/82/487725382.db2.gz RECMDILDPNOMSL-UHFFFAOYSA-N 0 1 249.289 2.189 20 0 BEADMN COc1ccsc1CN(C)Cc1cnc[nH]1 ZINC000668421871 487726496 /nfs/dbraw/zinc/72/64/96/487726496.db2.gz JHQPNDPHGWXEKH-UHFFFAOYSA-N 0 1 237.328 2.112 20 0 BEADMN CCN1CCN(C(=O)[C@H](C)CC(C)C)C[C@H]1C ZINC000680931936 487747320 /nfs/dbraw/zinc/74/73/20/487747320.db2.gz CBIROQHYRDLSJU-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN c1nc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)co1 ZINC000290324897 487750652 /nfs/dbraw/zinc/75/06/52/487750652.db2.gz DITJJXSETXZMMZ-BFHYXJOUSA-N 0 1 226.279 2.103 20 0 BEADMN CC(C)C1CCC(NC(=O)[C@H](C)N(C)C)CC1 ZINC000675666299 487761710 /nfs/dbraw/zinc/76/17/10/487761710.db2.gz JJZSNLKDIUVHIH-HIFPTAJRSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@H]1CC1(F)F ZINC000666229665 487764374 /nfs/dbraw/zinc/76/43/74/487764374.db2.gz UZTHFZZCDBBJCI-HRDYMLBCSA-N 0 1 229.274 2.114 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1C[C@@H](C)O[C@H]1C ZINC000631217442 487765157 /nfs/dbraw/zinc/76/51/57/487765157.db2.gz BSWKRZVQZPCOLZ-WOPDTQHZSA-N 0 1 237.347 2.120 20 0 BEADMN Cn1ccnc1NCc1nc2c(s1)CCCC2 ZINC000666237898 487766913 /nfs/dbraw/zinc/76/69/13/487766913.db2.gz XJEAHNWHRVJNLI-UHFFFAOYSA-N 0 1 248.355 2.368 20 0 BEADMN C[C@@H]1CCCN(CN2CC(C)(C)OC2=O)CC1 ZINC000494002911 533690098 /nfs/dbraw/zinc/69/00/98/533690098.db2.gz VGIOSBYEYHEBOQ-LLVKDONJSA-N 0 1 240.347 2.297 20 0 BEADMN CN(Cc1cnnn1-c1ccccc1)CC1CC1 ZINC000675885959 487785932 /nfs/dbraw/zinc/78/59/32/487785932.db2.gz TUMJVIBNZHIUOC-UHFFFAOYSA-N 0 1 242.326 2.109 20 0 BEADMN C[C@H]1CCN(CCOCC2CC2)C[C@H]1F ZINC000679224146 487786912 /nfs/dbraw/zinc/78/69/12/487786912.db2.gz NOPGVUOTCAOLDZ-CMPLNLGQSA-N 0 1 215.312 2.093 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cncc(F)c2)[nH]n1 ZINC000675893933 487789073 /nfs/dbraw/zinc/78/90/73/487789073.db2.gz YEPWHGBWDYYEPJ-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN CCc1ncc(CN2CC(C(C)C)C2)cn1 ZINC000666360651 487794187 /nfs/dbraw/zinc/79/41/87/487794187.db2.gz KNQYLVPIZWVGPK-UHFFFAOYSA-N 0 1 219.332 2.127 20 0 BEADMN C[C@@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000675989452 487799366 /nfs/dbraw/zinc/79/93/66/487799366.db2.gz WUFOVSPRQHONMX-GFCCVEGCSA-N 0 1 242.326 2.109 20 0 BEADMN COCCC1CN(Cc2cccc(F)c2)C1 ZINC000668473755 487799590 /nfs/dbraw/zinc/79/95/90/487799590.db2.gz AOGVJRXNIAQZHM-UHFFFAOYSA-N 0 1 223.291 2.294 20 0 BEADMN CCc1noc(CN2CC[C@@H](C)[C@H]2CC)n1 ZINC000681470452 487800651 /nfs/dbraw/zinc/80/06/51/487800651.db2.gz UMPAEFZOAPESBN-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN COC1([C@@H](C)N[C@H](C)c2ncc[nH]2)CCC1 ZINC000414300196 487802838 /nfs/dbraw/zinc/80/28/38/487802838.db2.gz ILMCWUZKUHKHIX-NXEZZACHSA-N 0 1 223.320 2.018 20 0 BEADMN CO[C@H](C)CN[C@H](C)c1nc(C)sc1C ZINC000223930854 487802868 /nfs/dbraw/zinc/80/28/68/487802868.db2.gz FWDBFCGYJFCGNJ-HTQZYQBOSA-N 0 1 228.361 2.445 20 0 BEADMN COC1([C@H](C)N[C@H](C)c2ncc[nH]2)CCC1 ZINC000414300205 487803093 /nfs/dbraw/zinc/80/30/93/487803093.db2.gz ILMCWUZKUHKHIX-ZJUUUORDSA-N 0 1 223.320 2.018 20 0 BEADMN C[C@@H](NCc1nccs1)[C@H]1CC1(F)F ZINC000666444012 487810358 /nfs/dbraw/zinc/81/03/58/487810358.db2.gz AZEYVNNIXKXGFH-RNFRBKRXSA-N 0 1 218.272 2.276 20 0 BEADMN Fc1cnccc1CN[C@H]1C=CCCC1 ZINC000336222356 487813439 /nfs/dbraw/zinc/81/34/39/487813439.db2.gz YHPBMEHNJUQFFG-NSHDSACASA-N 0 1 206.264 2.419 20 0 BEADMN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c(C)c1 ZINC000668045065 487819345 /nfs/dbraw/zinc/81/93/45/487819345.db2.gz GMUYCYDTUFWFMZ-TZMCWYRMSA-N 0 1 249.354 2.349 20 0 BEADMN CCCC[C@@H](C)N(C)CCS(=O)(=O)CCC ZINC000810125523 586534612 /nfs/dbraw/zinc/53/46/12/586534612.db2.gz XZAJFDJNHNHSAU-GFCCVEGCSA-N 0 1 249.420 2.322 20 0 BEADMN Cc1noc([C@H](C)N2CC[C@H](C)[C@H]2C)n1 ZINC000674466743 487830372 /nfs/dbraw/zinc/83/03/72/487830372.db2.gz NQSNGXAGILUADF-YIZRAAEISA-N 0 1 209.293 2.169 20 0 BEADMN COC(=O)c1occc1CN1CCC[C@H]1C ZINC000076114589 487832691 /nfs/dbraw/zinc/83/26/91/487832691.db2.gz RCPFEHNMNJYYGH-SECBINFHSA-N 0 1 223.272 2.051 20 0 BEADMN CC1(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CCC1 ZINC000309306078 487833903 /nfs/dbraw/zinc/83/39/03/487833903.db2.gz VQUZPAVZVLSIDI-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CC1(C)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000666573396 487833630 /nfs/dbraw/zinc/83/36/30/487833630.db2.gz IEELSOBOXMSURF-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN CO[C@@H](CON=C(N)C(C)C)CC(C)C ZINC000842038652 587992084 /nfs/dbraw/zinc/99/20/84/587992084.db2.gz GMGLMLYCHJECRA-SNVBAGLBSA-N 0 1 216.325 2.202 20 0 BEADMN CC(C)(O)CN1CCC[C@@H]1c1nccs1 ZINC000371571056 487840439 /nfs/dbraw/zinc/84/04/39/487840439.db2.gz KCRFGXIFNIYGNH-SECBINFHSA-N 0 1 226.345 2.051 20 0 BEADMN Cc1cnc([C@H](C)NCCOC(F)F)s1 ZINC000851932347 588645262 /nfs/dbraw/zinc/64/52/62/588645262.db2.gz LVPHOLYPYRPEDW-ZETCQYMHSA-N 0 1 236.287 2.341 20 0 BEADMN CN(C/C(Cl)=C/Cl)Cc1cnc[nH]1 ZINC000852288684 588676268 /nfs/dbraw/zinc/67/62/68/588676268.db2.gz RTVFUDUTHRQBRR-UQCOIBPSSA-N 0 1 220.103 2.161 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000668996332 487844961 /nfs/dbraw/zinc/84/49/61/487844961.db2.gz YUVUHDOLKNCKQA-ITGUQSILSA-N 0 1 247.342 2.242 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000253072393 487846687 /nfs/dbraw/zinc/84/66/87/487846687.db2.gz NZCBHDVYUPAZEW-NXEZZACHSA-N 0 1 237.299 2.456 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000681748479 487852349 /nfs/dbraw/zinc/85/23/49/487852349.db2.gz SRIYPMPUGBHXTM-MFKMUULPSA-N 0 1 247.342 2.377 20 0 BEADMN C[C@@H](N[C@@H]1CCC12CCOCC2)c1ccon1 ZINC000558622413 322952502 /nfs/dbraw/zinc/95/25/02/322952502.db2.gz FUQBISIBDFITFC-ZYHUDNBSSA-N 0 1 236.315 2.284 20 0 BEADMN CC1(C)CN(Cc2ccncc2)C(C)(C)CO1 ZINC000676486057 487855513 /nfs/dbraw/zinc/85/55/13/487855513.db2.gz ODANJJZPGBQTNJ-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)[C@@H](CC)CO1 ZINC000651912686 487861369 /nfs/dbraw/zinc/86/13/69/487861369.db2.gz BGCIMBQBIRXPFU-KBPBESRZSA-N 0 1 236.359 2.415 20 0 BEADMN CCc1c(C)[nH]n(-c2ccc(OC)cc2)c1=O ZINC000109346142 487862008 /nfs/dbraw/zinc/86/20/08/487862008.db2.gz OQTFCPAUWSZOQI-GFCCVEGCSA-N 0 1 232.283 2.444 20 0 BEADMN Cc1[nH]n(CCCOc2ccccc2)c(=O)c1C ZINC000109351772 487862316 /nfs/dbraw/zinc/86/23/16/487862316.db2.gz DEASBJALTSFKLJ-NSHDSACASA-N 0 1 246.310 2.310 20 0 BEADMN c1ccc(OCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000109409095 487864246 /nfs/dbraw/zinc/86/42/46/487864246.db2.gz SBRQFSJXHHNWMM-NSHDSACASA-N 0 1 245.282 2.073 20 0 BEADMN C[C@H](CS(C)(=O)=O)N(C)C[C@@H](C)C(C)(C)C ZINC000670264585 487865508 /nfs/dbraw/zinc/86/55/08/487865508.db2.gz ZFXHXLSLWSRHOE-GHMZBOCLSA-N 0 1 249.420 2.034 20 0 BEADMN C[C@@H]1COCCC[N@H+]1CCc1ccccc1F ZINC000681111365 487867313 /nfs/dbraw/zinc/86/73/13/487867313.db2.gz SVESWTPFKULZDM-GFCCVEGCSA-N 0 1 237.318 2.479 20 0 BEADMN CC[C@@H](C)Cc1nc([C@@H]2CCCN2)no1 ZINC000164651299 487868154 /nfs/dbraw/zinc/86/81/54/487868154.db2.gz PBNCSIPVHGCDJE-BDAKNGLRSA-N 0 1 209.293 2.083 20 0 BEADMN CC[C@H]1CN(Cc2ccn(C)c2)[C@H](C)CO1 ZINC000651931170 487869396 /nfs/dbraw/zinc/86/93/96/487869396.db2.gz MNIHDSNXMDHMNJ-YPMHNXCESA-N 0 1 222.332 2.024 20 0 BEADMN CCOC1CCN(Cc2ccc(C)cn2)CC1 ZINC000676557510 487873242 /nfs/dbraw/zinc/87/32/42/487873242.db2.gz VTJHIXRHEAIUCE-UHFFFAOYSA-N 0 1 234.343 2.391 20 0 BEADMN CCNC(=O)CN(CC)[C@H]1CCc2ccccc21 ZINC000676631779 487883053 /nfs/dbraw/zinc/88/30/53/487883053.db2.gz FJKKZGCLGKLWHC-AWEZNQCLSA-N 0 1 246.354 2.132 20 0 BEADMN COCCOc1ccccc1CN1CC(C)C1 ZINC000670270669 487887726 /nfs/dbraw/zinc/88/77/26/487887726.db2.gz ZHAAMNLBQPYYRJ-UHFFFAOYSA-N 0 1 235.327 2.164 20 0 BEADMN C[C@H]1CCC[N@H+]1[C@@H](C(=O)[O-])c1ccsc1 ZINC000146739594 487891281 /nfs/dbraw/zinc/89/12/81/487891281.db2.gz KVXNVGLDHIFFKQ-WCBMZHEXSA-N 0 1 225.313 2.358 20 0 BEADMN COC[C@@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682070907 487892627 /nfs/dbraw/zinc/89/26/27/487892627.db2.gz GNQGUWDGUWZSDM-DZGCQCFKSA-N 0 1 247.338 2.021 20 0 BEADMN CCCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048244360 487894872 /nfs/dbraw/zinc/89/48/72/487894872.db2.gz OQXPLDSYWGGXFN-UHFFFAOYSA-N 0 1 235.262 2.232 20 0 BEADMN C[C@H](Cc1ccsc1)N1CC[C@@](F)(CO)C1 ZINC000670273383 487896342 /nfs/dbraw/zinc/89/63/42/487896342.db2.gz NASCXWJJOULXPJ-PWSUYJOCSA-N 0 1 243.347 2.085 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CC[C@](F)(CO)C1 ZINC000670273381 487896834 /nfs/dbraw/zinc/89/68/34/487896834.db2.gz NASCXWJJOULXPJ-CMPLNLGQSA-N 0 1 243.347 2.085 20 0 BEADMN CC[C@H]1CCCN1CC[S@](=O)C(F)(F)F ZINC000929492534 646149262 /nfs/dbraw/zinc/14/92/62/646149262.db2.gz PIHXKPSOXXMBSS-AYVTZFPOSA-N 0 1 243.294 2.129 20 0 BEADMN COC[C@H](C)NCc1ccc(F)c(F)c1F ZINC000083359504 487903530 /nfs/dbraw/zinc/90/35/30/487903530.db2.gz VDOQTXLBUGFVHC-ZETCQYMHSA-N 0 1 233.233 2.228 20 0 BEADMN CN(C)C1(C(=O)NCCCC(C)(C)C)CC1 ZINC000669043946 487913174 /nfs/dbraw/zinc/91/31/74/487913174.db2.gz SVHRIIFVQCSIMU-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc(CNC(C)(C)COC(C)C)on1 ZINC000396344931 487914998 /nfs/dbraw/zinc/91/49/98/487914998.db2.gz CMSLBJKEBMJSBP-UHFFFAOYSA-N 0 1 226.320 2.276 20 0 BEADMN FC(F)O[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000682163901 487920426 /nfs/dbraw/zinc/92/04/26/487920426.db2.gz FRLCZTXPSIDVDT-QWRGUYRKSA-N 0 1 249.301 2.117 20 0 BEADMN C[C@@H]1CCC[C@@H](CNC(=O)C2(N(C)C)CC2)C1 ZINC000667078944 487921898 /nfs/dbraw/zinc/92/18/98/487921898.db2.gz JRUHSLOMKCUFRS-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccsc1 ZINC000669919322 487924179 /nfs/dbraw/zinc/92/41/79/487924179.db2.gz UBBGIAXNNFKEHT-SECBINFHSA-N 0 1 249.339 2.281 20 0 BEADMN C[C@@H](c1ccccc1)n1cc(CNC2CC2)nn1 ZINC000090297599 487929019 /nfs/dbraw/zinc/92/90/19/487929019.db2.gz OFQJAPDLEISSDH-NSHDSACASA-N 0 1 242.326 2.139 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000158024461 487935518 /nfs/dbraw/zinc/93/55/18/487935518.db2.gz XXDOFQXRLWZZKP-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000158024314 487935743 /nfs/dbraw/zinc/93/57/43/487935743.db2.gz XXDOFQXRLWZZKP-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000158024597 487935781 /nfs/dbraw/zinc/93/57/81/487935781.db2.gz XXDOFQXRLWZZKP-RKDXNWHRSA-N 0 1 223.272 2.208 20 0 BEADMN Cc1cccnc1CCNCc1nccs1 ZINC000404959165 487937963 /nfs/dbraw/zinc/93/79/63/487937963.db2.gz ZHFFWDXWRFQMFX-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CC2)C1 ZINC000669079310 487940545 /nfs/dbraw/zinc/94/05/45/487940545.db2.gz LADHVORVOVABGO-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CCN(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000070287195 487941671 /nfs/dbraw/zinc/94/16/71/487941671.db2.gz ZSXHXMVJKFXGBQ-UHFFFAOYSA-N 0 1 229.283 2.187 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839775 487941931 /nfs/dbraw/zinc/94/19/31/487941931.db2.gz HJBBAGAYAJKCNO-LLVKDONJSA-N 0 1 211.305 2.116 20 0 BEADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@H+]1CC=CCC1 ZINC000652392979 487942442 /nfs/dbraw/zinc/94/24/42/487942442.db2.gz PEYYVNUTZCXONH-GFCCVEGCSA-N 0 1 235.258 2.213 20 0 BEADMN O=C([O-])[C@@H](c1ccc(F)cc1)[N@@H+]1CC=CCC1 ZINC000652392979 487942446 /nfs/dbraw/zinc/94/24/46/487942446.db2.gz PEYYVNUTZCXONH-GFCCVEGCSA-N 0 1 235.258 2.213 20 0 BEADMN CC[C@@]1(C)CN(Cc2ccc(O)cc2)CCO1 ZINC000682408105 487951820 /nfs/dbraw/zinc/95/18/20/487951820.db2.gz DBVUNIFSQWHHGC-AWEZNQCLSA-N 0 1 235.327 2.393 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)C1(N(C)C)CC1 ZINC000667177554 487954148 /nfs/dbraw/zinc/95/41/48/487954148.db2.gz URBATQPVJRGTMG-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccoc1 ZINC000094869400 322977882 /nfs/dbraw/zinc/97/78/82/322977882.db2.gz HRECMHRDMIURBI-VIFPVBQESA-N 0 1 233.315 2.481 20 0 BEADMN C[C@]12C[N@H+]([C@H](C(=O)[O-])C3CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000566573146 323005995 /nfs/dbraw/zinc/00/59/95/323005995.db2.gz QXTXDRYSJQRJID-HYFYGGESSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@]12C[N@H+]([C@H](C(=O)[O-])C3CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000566573145 323006064 /nfs/dbraw/zinc/00/60/64/323006064.db2.gz QXTXDRYSJQRJID-GEJOOGBSSA-N 0 1 249.354 2.218 20 0 BEADMN CCOC(=O)CN(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000245631644 323007007 /nfs/dbraw/zinc/00/70/07/323007007.db2.gz VINGPGKSMCRQGJ-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN COC[C@H]1CCCCN1Cc1cncc(F)c1 ZINC000449761003 323008828 /nfs/dbraw/zinc/00/88/28/323008828.db2.gz TXKAHCAQNSCQRJ-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ncc[nH]1 ZINC000131338651 323012902 /nfs/dbraw/zinc/01/29/02/323012902.db2.gz JTWIRCHOWZPNEC-WDEREUQCSA-N 0 1 237.347 2.093 20 0 BEADMN CC(C)C[C@@H]1CC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000565101257 323018777 /nfs/dbraw/zinc/01/87/77/323018777.db2.gz CXGCMVSPXSNUQM-NSHDSACASA-N 0 1 225.332 2.219 20 0 BEADMN COC(=O)c1cccc(CN2CCC(C)(C)C2)n1 ZINC000562493033 323021649 /nfs/dbraw/zinc/02/16/49/323021649.db2.gz QKHXPUCENLSGGY-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN COCC1CCC(NCC(C)(F)F)CC1 ZINC000562521137 323022665 /nfs/dbraw/zinc/02/26/65/323022665.db2.gz VLTJBHOKZJTDJZ-UHFFFAOYSA-N 0 1 221.291 2.436 20 0 BEADMN C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1nc(C2CC2)no1 ZINC000562685610 323027610 /nfs/dbraw/zinc/02/76/10/323027610.db2.gz QNOQAJBQWZWYET-VWYCJHECSA-N 0 1 233.315 2.225 20 0 BEADMN CCN(CC(=O)N1CCC[C@H](C)CC1)C1CC1 ZINC000136003123 323030795 /nfs/dbraw/zinc/03/07/95/323030795.db2.gz IRBLQIYBJXXBNO-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN C(NC1(C2CC2)CC1)c1nnc2n1CCCCC2 ZINC000569648651 323035493 /nfs/dbraw/zinc/03/54/93/323035493.db2.gz BZDHXARCEGJJOK-UHFFFAOYSA-N 0 1 246.358 2.037 20 0 BEADMN Cc1oc(C[N@@H+](C)CCCCF)cc1C(=O)[O-] ZINC000569700897 323037532 /nfs/dbraw/zinc/03/75/32/323037532.db2.gz LWHFMRGXYKCZLH-UHFFFAOYSA-N 0 1 243.278 2.468 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](C)CC1 ZINC000569707246 323037914 /nfs/dbraw/zinc/03/79/14/323037914.db2.gz WRPMAAMQMRJQBJ-VXGBXAGGSA-N 0 1 249.358 2.237 20 0 BEADMN CC(=O)c1cc(C[N@H+](C)C(C2CC2)C2CC2)on1 ZINC000569890927 323043729 /nfs/dbraw/zinc/04/37/29/323043729.db2.gz GVPWNFASRCCEGI-UHFFFAOYSA-N 0 1 248.326 2.498 20 0 BEADMN CC(=O)c1cc(CN(C)C(C2CC2)C2CC2)on1 ZINC000569890927 323043730 /nfs/dbraw/zinc/04/37/30/323043730.db2.gz GVPWNFASRCCEGI-UHFFFAOYSA-N 0 1 248.326 2.498 20 0 BEADMN CCC1(CC)CN(CC2(C)CC2)CC[S@]1=O ZINC000569904594 323044197 /nfs/dbraw/zinc/04/41/97/323044197.db2.gz HKZPUTNPCWFTIT-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1ccc(CNC2(CF)CCC2)cn1 ZINC000569971128 323046152 /nfs/dbraw/zinc/04/61/52/323046152.db2.gz HOGCJASETUKQJK-UHFFFAOYSA-N 0 1 208.280 2.372 20 0 BEADMN CCC[C@H]1CCC[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000570220604 323053112 /nfs/dbraw/zinc/05/31/12/323053112.db2.gz WCOTVYCEWJXORG-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC1=CCCCC1 ZINC000570286104 323055289 /nfs/dbraw/zinc/05/52/89/323055289.db2.gz CPDFUHIIWREBAF-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN C[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1csnn1 ZINC000570908156 323073957 /nfs/dbraw/zinc/07/39/57/323073957.db2.gz XKRGFIROXKZBBC-QEYWKRMJSA-N 0 1 223.345 2.377 20 0 BEADMN CC(C)n1cncc1CN1CCC1(C)C ZINC000563021943 323080208 /nfs/dbraw/zinc/08/02/08/323080208.db2.gz DAGMJEFNHCJLQD-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2C)C[C@@H](C)O1 ZINC000563045547 323082067 /nfs/dbraw/zinc/08/20/67/323082067.db2.gz XGBQGOVPPFPZTP-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563126014 323094208 /nfs/dbraw/zinc/09/42/08/323094208.db2.gz RQINHHZYSPYPBZ-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(C)C[C@@H]1CC ZINC000570957613 323101697 /nfs/dbraw/zinc/10/16/97/323101697.db2.gz DAJQTXLGGOPBPB-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H](O)[C@@H](NCc1cc[nH]c1)c1ccccc1F ZINC000563256537 323107001 /nfs/dbraw/zinc/10/70/01/323107001.db2.gz RZJGBUBIGUGJEL-IINYFYTJSA-N 0 1 248.301 2.366 20 0 BEADMN CC[C@H]1CC[N@H+]([C@H](CC(C)C)C(=O)[O-])C1 ZINC000563283106 323108403 /nfs/dbraw/zinc/10/84/03/323108403.db2.gz OKSRVWDCSQXCDU-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](NCCF)c1cncc(Br)c1 ZINC000563549592 323129891 /nfs/dbraw/zinc/12/98/91/323129891.db2.gz JPMKZFHNCYXAQR-SSDOTTSWSA-N 0 1 247.111 2.464 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCF ZINC000310401502 323130976 /nfs/dbraw/zinc/13/09/76/323130976.db2.gz JDOXKEXFHKQKBB-WOPDTQHZSA-N 0 1 243.322 2.454 20 0 BEADMN CC(C)C1CC(NCc2ncccn2)C1 ZINC000571179298 323137629 /nfs/dbraw/zinc/13/76/29/323137629.db2.gz KXCPWAYDNMGWJW-UHFFFAOYSA-N 0 1 205.305 2.001 20 0 BEADMN CC(C)(C(=O)NCC1=CCCCC1)c1cnc[nH]1 ZINC000571375820 323142922 /nfs/dbraw/zinc/14/29/22/323142922.db2.gz VSGHGJHSYVPTCB-UHFFFAOYSA-N 0 1 247.342 2.304 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1cnccn1 ZINC000571619826 323149298 /nfs/dbraw/zinc/14/92/98/323149298.db2.gz WQSXOYHNZZIIJO-NSHDSACASA-N 0 1 225.361 2.050 20 0 BEADMN Cc1cnc(CCNc2cc(C)ccn2)nc1 ZINC000534628528 323156465 /nfs/dbraw/zinc/15/64/65/323156465.db2.gz CIKZPCWFQCPQTK-UHFFFAOYSA-N 0 1 228.299 2.143 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2nncn2C)[C@H]2CCCC[C@H]12 ZINC000534809747 323160896 /nfs/dbraw/zinc/16/08/96/323160896.db2.gz FPLGZPWOXPVLRV-UPJWGTAASA-N 0 1 248.374 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2nncn2C)[C@H]2CCCC[C@H]12 ZINC000534809747 323160897 /nfs/dbraw/zinc/16/08/97/323160897.db2.gz FPLGZPWOXPVLRV-UPJWGTAASA-N 0 1 248.374 2.216 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000063761528 323166571 /nfs/dbraw/zinc/16/65/71/323166571.db2.gz HCBMMOXZXINAJA-UHFFFAOYSA-N 0 1 242.269 2.245 20 0 BEADMN Brc1c[nH]nc1CNC1CCCC1 ZINC000306380766 323172865 /nfs/dbraw/zinc/17/28/65/323172865.db2.gz OKXVOVCJSHRUJE-UHFFFAOYSA-N 0 1 244.136 2.204 20 0 BEADMN CC(C)[C@H]1CCN1Cc1ccc(F)cn1 ZINC000529534339 323182979 /nfs/dbraw/zinc/18/29/79/323182979.db2.gz AACSCNZHCXRCAW-GFCCVEGCSA-N 0 1 208.280 2.451 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1ccc2cc[nH]c2c1 ZINC000529552985 323183863 /nfs/dbraw/zinc/18/38/63/323183863.db2.gz ZBTVWIBLJFUBNL-STQMWFEESA-N 0 1 248.301 2.073 20 0 BEADMN Cc1noc([C@@H](C)N[C@@H](C)C2CC(F)(F)C2)n1 ZINC000529558105 323184029 /nfs/dbraw/zinc/18/40/29/323184029.db2.gz SZVSJTDBDCQOTM-NKWVEPMBSA-N 0 1 245.273 2.462 20 0 BEADMN CN(Cc1ccn(C)c1)Cc1cccc(O)c1 ZINC000536626482 323198722 /nfs/dbraw/zinc/19/87/22/323198722.db2.gz YBVXCTRVYHYGGZ-UHFFFAOYSA-N 0 1 230.311 2.363 20 0 BEADMN CC(C)OC1CCN(Cc2ccccn2)CC1 ZINC000536647057 323199660 /nfs/dbraw/zinc/19/96/60/323199660.db2.gz BUAZKMWLSVMOBU-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN COc1ccc(NC(=O)c2cn[nH]c2C)cc1F ZINC000063839246 323202438 /nfs/dbraw/zinc/20/24/38/323202438.db2.gz OQXMVXCWOFYBMI-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000054299825 323204055 /nfs/dbraw/zinc/20/40/55/323204055.db2.gz IARBCAOJHHNWOZ-AWEZNQCLSA-N 0 1 247.338 2.416 20 0 BEADMN CC[C@H](F)C[N@@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164684 323204848 /nfs/dbraw/zinc/20/48/48/323204848.db2.gz BTFLZFKPHRGXLL-GZMMTYOYSA-N 0 1 241.262 2.012 20 0 BEADMN CC[C@H](F)C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164684 323204849 /nfs/dbraw/zinc/20/48/49/323204849.db2.gz BTFLZFKPHRGXLL-GZMMTYOYSA-N 0 1 241.262 2.012 20 0 BEADMN CCc1cnc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000532313012 323215979 /nfs/dbraw/zinc/21/59/79/323215979.db2.gz CLSVLZFWIHPXLS-QWRGUYRKSA-N 0 1 220.316 2.469 20 0 BEADMN CC[C@]1(C)CCN([C@H](C)c2nccc(N)n2)C1 ZINC000565156433 323326320 /nfs/dbraw/zinc/32/63/20/323326320.db2.gz IJDZGCZBGMTKKT-ZWNOBZJWSA-N 0 1 234.347 2.072 20 0 BEADMN C[C@@H](N[C@@H](C)c1csnn1)[C@H]1CC12CC2 ZINC000527908987 323719064 /nfs/dbraw/zinc/71/90/64/323719064.db2.gz OGOUILBQSIBOMX-HRDYMLBCSA-N 0 1 223.345 2.377 20 0 BEADMN COC[C@@H](NCc1ncc(C)s1)C(C)C ZINC000122992291 324071490 /nfs/dbraw/zinc/07/14/90/324071490.db2.gz GGEQYFTZJTXFKY-SNVBAGLBSA-N 0 1 228.361 2.212 20 0 BEADMN CC[C@@H](NCCOC(C)(C)C)c1nccn1C ZINC000537423508 324071598 /nfs/dbraw/zinc/07/15/98/324071598.db2.gz WITDQLYUARUWTC-LLVKDONJSA-N 0 1 239.363 2.276 20 0 BEADMN C[C@@](N)(C(=O)NCCCC1CC1)c1ccccc1 ZINC000162820461 324113648 /nfs/dbraw/zinc/11/36/48/324113648.db2.gz IODUGDOWCPZJIW-HNNXBMFYSA-N 0 1 246.354 2.167 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)C[C@H]1C ZINC000572490207 324129591 /nfs/dbraw/zinc/12/95/91/324129591.db2.gz WVZRVDXPKGKSKK-ZJUUUORDSA-N 0 1 213.321 2.360 20 0 BEADMN CC(=O)N(C)C1CCN(C/C=C(/C)Cl)CC1 ZINC000528364082 324189181 /nfs/dbraw/zinc/18/91/81/324189181.db2.gz GZPFHTKMLVHBDY-WMZJFQQLSA-N 0 1 244.766 2.072 20 0 BEADMN CC(C)ONC(=O)[C@@H]1Cc2c1cccc2Cl ZINC000529447071 324301437 /nfs/dbraw/zinc/30/14/37/324301437.db2.gz XPWWMZGNGLVSGH-SNVBAGLBSA-N 0 1 239.702 2.436 20 0 BEADMN Cc1nnc(CN[C@@H](C)C2CC(F)(F)C2)s1 ZINC000529542634 324332395 /nfs/dbraw/zinc/33/23/95/324332395.db2.gz QTLZJYIQHRKHNO-LURJTMIESA-N 0 1 247.314 2.370 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C ZINC000529592618 324356339 /nfs/dbraw/zinc/35/63/39/324356339.db2.gz WGZGYGDIUGEBNJ-UTUOFQBUSA-N 0 1 247.342 2.193 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC(Cc2ccco2)C1 ZINC000529650069 324371818 /nfs/dbraw/zinc/37/18/18/324371818.db2.gz WHTINHLMLFLSFS-UHFFFAOYSA-N 0 1 245.326 2.294 20 0 BEADMN Cn1cccc1CN1CC(Cc2ccco2)C1 ZINC000529652785 324372716 /nfs/dbraw/zinc/37/27/16/324372716.db2.gz PWGJDHXBNZELLR-UHFFFAOYSA-N 0 1 230.311 2.293 20 0 BEADMN O=C(N[C@@H]1C=CCCC1)c1ccc(F)cc1O ZINC000124112954 324608879 /nfs/dbraw/zinc/60/88/79/324608879.db2.gz SDHDEEKDLGPCKR-SNVBAGLBSA-N 0 1 235.258 2.370 20 0 BEADMN CC(C)(C)OC(=O)CN1CCCCCC1 ZINC000070921635 325044992 /nfs/dbraw/zinc/04/49/92/325044992.db2.gz NWMMREDELPJGAX-UHFFFAOYSA-N 0 1 213.321 2.204 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccccc1N(C)C ZINC000070983052 325048949 /nfs/dbraw/zinc/04/89/49/325048949.db2.gz GTQJWWDPIAXTGL-UHFFFAOYSA-N 0 1 244.298 2.036 20 0 BEADMN CCc1cnc(CN[C@H](C)[C@@H]2CCCOC2)o1 ZINC000543505032 325091527 /nfs/dbraw/zinc/09/15/27/325091527.db2.gz NSLZNOSIQIQXJW-GHMZBOCLSA-N 0 1 238.331 2.142 20 0 BEADMN Cc1nnc([C@H](C)NCCc2ccccc2)o1 ZINC000543544167 325092772 /nfs/dbraw/zinc/09/27/72/325092772.db2.gz VWLFHFYBIZMCTF-JTQLQIEISA-N 0 1 231.299 2.271 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cc(F)ccc1F ZINC000544759946 325158449 /nfs/dbraw/zinc/15/84/49/325158449.db2.gz XRBUHZOUHJVHGP-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CC(C)CCN1CCN(CC(F)(F)F)CC1 ZINC000073507067 325202110 /nfs/dbraw/zinc/20/21/10/325202110.db2.gz QPKRAUXJSRPNID-UHFFFAOYSA-N 0 1 238.297 2.212 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC1 ZINC000132189359 325203280 /nfs/dbraw/zinc/20/32/80/325203280.db2.gz UJRPNXXPZVIKHM-QWHCGFSZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN(CC(=O)NCC1(C)CCCC1)C1CC1 ZINC000132277897 325209193 /nfs/dbraw/zinc/20/91/93/325209193.db2.gz RPCTVRQNUKXYAE-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ncccc1CNC(C)(C)c1cnn(C)c1 ZINC000545996798 325255494 /nfs/dbraw/zinc/25/54/94/325255494.db2.gz VUDUBOXPPMHUDR-UHFFFAOYSA-N 0 1 244.342 2.148 20 0 BEADMN Cc1cc(CC(=O)Nc2ccc(C)c(F)c2)n[nH]1 ZINC000133298081 325284682 /nfs/dbraw/zinc/28/46/82/325284682.db2.gz FIOFCVYTIWJSPO-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CCC1(CC)CCN(c2ccncc2C(N)=O)C1 ZINC000546577303 325287846 /nfs/dbraw/zinc/28/78/46/325287846.db2.gz CANCMVFOELHDBD-UHFFFAOYSA-N 0 1 247.342 2.197 20 0 BEADMN CC(C)OC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000546636456 325296596 /nfs/dbraw/zinc/29/65/96/325296596.db2.gz FXCQALWUPZXIDY-LBPRGKRZSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1cccnc1 ZINC000546704613 325303329 /nfs/dbraw/zinc/30/33/29/325303329.db2.gz FVOCSPLOASCWLM-LLVKDONJSA-N 0 1 244.342 2.401 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccncc1Cl ZINC000546809334 325312964 /nfs/dbraw/zinc/31/29/64/325312964.db2.gz IXAXBTFYNWEFHB-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(C(C)C)CC1 ZINC000075833446 325316255 /nfs/dbraw/zinc/31/62/55/325316255.db2.gz RGUXQGDHIWXOKL-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000076145487 325333662 /nfs/dbraw/zinc/33/36/62/325333662.db2.gz ZVYLDQRJYGDDHT-JSGCOSHPSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)C1CCC(CNC(=O)CN(C)C)CC1 ZINC000135007830 325387985 /nfs/dbraw/zinc/38/79/85/325387985.db2.gz RHTNHPQUVCDQRW-UHFFFAOYSA-N 0 1 240.391 2.127 20 0 BEADMN CCS(=O)(=O)CCCCCN1[C@@H](C)C[C@@H]1C ZINC000547769344 325395000 /nfs/dbraw/zinc/39/50/00/325395000.db2.gz HHXXNCDLJBIRTM-RYUDHWBXSA-N 0 1 247.404 2.074 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@H]1CCc2ccccc2NC1=O ZINC000547769373 325395041 /nfs/dbraw/zinc/39/50/41/325395041.db2.gz LKZASXVBFGXZCB-WDMOLILDSA-N 0 1 244.338 2.423 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1[C@@H](C)C[C@@H]1C ZINC000548096714 325428728 /nfs/dbraw/zinc/42/87/28/325428728.db2.gz KYAAIEPFYVVVGY-RWMBFGLXSA-N 0 1 238.375 2.260 20 0 BEADMN CCC[C@H](C(=O)OCC)N1[C@@H](C)C[C@@H]1C ZINC000548426253 325456986 /nfs/dbraw/zinc/45/69/86/325456986.db2.gz FUQBSIACIYFZJI-GARJFASQSA-N 0 1 213.321 2.201 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)C(C)C ZINC000548789577 325484792 /nfs/dbraw/zinc/48/47/92/325484792.db2.gz CTFXEAPMPFFBCF-WCQYABFASA-N 0 1 239.363 2.050 20 0 BEADMN Cc1noc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000250832917 325669781 /nfs/dbraw/zinc/66/97/81/325669781.db2.gz FCFBMOXVRIDPRW-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1nccs1 ZINC000565048312 325851926 /nfs/dbraw/zinc/85/19/26/325851926.db2.gz LICSBAHSAPKSTH-UWVGGRQHSA-N 0 1 228.361 2.030 20 0 BEADMN CC(C)(CO)C(=O)Nc1cccc(Cl)c1O ZINC000565191121 325872308 /nfs/dbraw/zinc/87/23/08/325872308.db2.gz OPEYHYMDLZSDEK-UHFFFAOYSA-N 0 1 243.690 2.003 20 0 BEADMN C(c1nc(C2CC2)no1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153269853 325934314 /nfs/dbraw/zinc/93/43/14/325934314.db2.gz FJYAMENSJMLGRX-GHMZBOCLSA-N 0 1 233.315 2.179 20 0 BEADMN Cc1nnc(CN2C[C@@H]3CCC[C@H]3C2)n1C1CC1 ZINC000153371854 325952116 /nfs/dbraw/zinc/95/21/16/325952116.db2.gz NQCSPWVIOUOTGY-RYUDHWBXSA-N 0 1 246.358 2.153 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccncc1F ZINC000566068180 325990114 /nfs/dbraw/zinc/99/01/14/325990114.db2.gz WYBOPJMTDBZDGU-KXUCPTDWSA-N 0 1 224.279 2.049 20 0 BEADMN Cc1nnsc1CN1CCSC[C@@H](C)C1 ZINC000566300036 326030848 /nfs/dbraw/zinc/03/08/48/326030848.db2.gz JUAJHMILMXASLB-QMMMGPOBSA-N 0 1 243.401 2.031 20 0 BEADMN CC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000566368522 326035980 /nfs/dbraw/zinc/03/59/80/326035980.db2.gz WURDNEHHEOWJMJ-IVZWLZJFSA-N 0 1 247.285 2.217 20 0 BEADMN CC[C@H]1C[N@@H+](CC2(CC(=O)[O-])CC2)CCS1 ZINC000566359529 326036787 /nfs/dbraw/zinc/03/67/87/326036787.db2.gz IXHGVGFDKLFZOK-JTQLQIEISA-N 0 1 243.372 2.069 20 0 BEADMN CSCCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000566360298 326036956 /nfs/dbraw/zinc/03/69/56/326036956.db2.gz NQNSFYRPXBXCNK-JTQLQIEISA-N 0 1 233.377 2.171 20 0 BEADMN CCCC(C)(C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000566437353 326047175 /nfs/dbraw/zinc/04/71/75/326047175.db2.gz AMGKDWQBRXBRHY-JTQLQIEISA-N 0 1 237.347 2.283 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000566670529 326072429 /nfs/dbraw/zinc/07/24/29/326072429.db2.gz GYUISNPWASUAFI-XQQFMLRXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H]1COCCN1CCc1ccncc1C ZINC000566675214 326072964 /nfs/dbraw/zinc/07/29/64/326072964.db2.gz HMTGRUJDVRCYEB-CQSZACIVSA-N 0 1 234.343 2.043 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)C(F)(F)F ZINC000566683358 326074167 /nfs/dbraw/zinc/07/41/67/326074167.db2.gz AGCUXPGOWPPRLO-SFYZADRCSA-N 0 1 241.253 2.370 20 0 BEADMN CC[C@@H]1CCCN([C@H](C)c2nccc(N)n2)CC1 ZINC000567120539 326119550 /nfs/dbraw/zinc/11/95/50/326119550.db2.gz FUMPSGLNMWZJES-VXGBXAGGSA-N 0 1 248.374 2.462 20 0 BEADMN C[C@H](c1ccco1)[N@@H+](C)CC1(C(=O)[O-])CC1 ZINC000567173401 326129396 /nfs/dbraw/zinc/12/93/96/326129396.db2.gz YQZXTFMYEYSOTR-SECBINFHSA-N 0 1 223.272 2.137 20 0 BEADMN Cn1cc(CN2CCC[C@H]2c2ccc[nH]2)cn1 ZINC000154904043 326171831 /nfs/dbraw/zinc/17/18/31/326171831.db2.gz VVERSQBNGUZZST-ZDUSSCGKSA-N 0 1 230.315 2.085 20 0 BEADMN Cc1cc(CC(=O)Nc2cc(C)cc(F)c2)n[nH]1 ZINC000155202673 326188569 /nfs/dbraw/zinc/18/85/69/326188569.db2.gz OLPHQGLDIYBKEO-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN CCC[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000155349280 326193148 /nfs/dbraw/zinc/19/31/48/326193148.db2.gz RLZGDJLQJSNLEO-JTQLQIEISA-N 0 1 221.304 2.062 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@H](C)c1cscn1 ZINC000313155786 326258102 /nfs/dbraw/zinc/25/81/02/326258102.db2.gz NNKBSTPHNDHTFB-YWVKMMECSA-N 0 1 228.361 2.343 20 0 BEADMN CC(C)CSCCC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000568062678 326302541 /nfs/dbraw/zinc/30/25/41/326302541.db2.gz LPVJZXQNPMWVKL-LLVKDONJSA-N 0 1 245.388 2.172 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000568061370 326302658 /nfs/dbraw/zinc/30/26/58/326302658.db2.gz DHRBGBKKYOAYSN-NSHDSACASA-N 0 1 225.288 2.211 20 0 BEADMN C[N@@H+](CCC1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000568067566 326303578 /nfs/dbraw/zinc/30/35/78/326303578.db2.gz ZJOWIZOZDVHBNF-CQSZACIVSA-N 0 1 247.338 2.414 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)C(C)(C)C1 ZINC000568293361 326342474 /nfs/dbraw/zinc/34/24/74/326342474.db2.gz MWOKDTCVLCEQLY-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000158954039 326345198 /nfs/dbraw/zinc/34/51/98/326345198.db2.gz IFNYLOORJYWYMD-UHFFFAOYSA-N 0 1 217.316 2.485 20 0 BEADMN CCCCN(C)CC[NH2+][C@@H](C)c1ccccn1 ZINC000159119762 326350244 /nfs/dbraw/zinc/35/02/44/326350244.db2.gz UGEFDUICECOKOM-ZDUSSCGKSA-N 0 1 235.375 2.464 20 0 BEADMN CC(C)[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000159193382 326352831 /nfs/dbraw/zinc/35/28/31/326352831.db2.gz WNPHPMSETABBOJ-LLVKDONJSA-N 0 1 223.316 2.250 20 0 BEADMN C[C@@H]1CCC[C@@H](C)[N@@H+](CC2(C(=O)[O-])CC2)C1 ZINC000568404550 326354777 /nfs/dbraw/zinc/35/47/77/326354777.db2.gz YZMBZTQNNSRYNL-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000568880915 326381038 /nfs/dbraw/zinc/38/10/38/326381038.db2.gz LTWWKLSTXSFGIY-IJLUTSLNSA-N 0 1 249.358 2.235 20 0 BEADMN CC(C)COCC[N@@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000568990126 326385104 /nfs/dbraw/zinc/38/51/04/326385104.db2.gz DLERAFJNRPRDFX-GFCCVEGCSA-N 0 1 245.363 2.090 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000569010424 326386731 /nfs/dbraw/zinc/38/67/31/326386731.db2.gz KZJRBTZCFHMBHA-NSHDSACASA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000569010423 326386793 /nfs/dbraw/zinc/38/67/93/326386793.db2.gz KZJRBTZCFHMBHA-LLVKDONJSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)c1nc(CN(C)C(C)(C)C)n[nH]1 ZINC000569100538 326389981 /nfs/dbraw/zinc/38/99/81/326389981.db2.gz LHPMEYNVGWKAEJ-UHFFFAOYSA-N 0 1 210.325 2.158 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1cccc2[nH]cnc21 ZINC000159286818 326394630 /nfs/dbraw/zinc/39/46/30/326394630.db2.gz GMUMPFAJHCDQEV-SECBINFHSA-N 0 1 231.299 2.433 20 0 BEADMN Cc1nc(CN[C@H]2C[C@@H](O)C2(C)C)sc1C ZINC000163427263 326401707 /nfs/dbraw/zinc/40/17/07/326401707.db2.gz LXEKEVYDLMZDMX-VHSXEESVSA-N 0 1 240.372 2.009 20 0 BEADMN Cc1cccc(CCN[C@H](C)c2ccon2)n1 ZINC000572874022 326416286 /nfs/dbraw/zinc/41/62/86/326416286.db2.gz PELJHSNFOWFULI-LLVKDONJSA-N 0 1 231.299 2.271 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666027480 487985929 /nfs/dbraw/zinc/98/59/29/487985929.db2.gz RZDGHVVWMYBBHK-QWRGUYRKSA-N 0 1 249.358 2.018 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC[C@H]1C(C)(C)C)N(C)C ZINC000666028367 487987965 /nfs/dbraw/zinc/98/79/65/487987965.db2.gz UYMOYGRNJHWANH-TUAOUCFPSA-N 0 1 240.391 2.268 20 0 BEADMN CCC(CC)CC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677172698 487988040 /nfs/dbraw/zinc/98/80/40/487988040.db2.gz DUTTXFIGEXGHRB-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677177408 487990953 /nfs/dbraw/zinc/99/09/53/487990953.db2.gz NCYLFOWVQDFUJX-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000666033525 487990396 /nfs/dbraw/zinc/99/03/96/487990396.db2.gz OKIMBLHNNUZGTR-LLVKDONJSA-N 0 1 247.342 2.305 20 0 BEADMN CC[N@@H+]1CCN([C@@H]2C=CCCC2)C[C@@H]1C ZINC000677191050 487994981 /nfs/dbraw/zinc/99/49/81/487994981.db2.gz CEAUYOVUTLGBLB-QWHCGFSZSA-N 0 1 208.349 2.121 20 0 BEADMN CC[N@@H+]1CCN([C@H]2C=CCCC2)C[C@@H]1C ZINC000677191051 487995006 /nfs/dbraw/zinc/99/50/06/487995006.db2.gz CEAUYOVUTLGBLB-STQMWFEESA-N 0 1 208.349 2.121 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667423586 488000516 /nfs/dbraw/zinc/00/05/16/488000516.db2.gz QHIMPFSONRYPBS-QWRGUYRKSA-N 0 1 249.358 2.210 20 0 BEADMN CCOCCSc1nc(C(C)(C)C)n[nH]1 ZINC000193697875 488001045 /nfs/dbraw/zinc/00/10/45/488001045.db2.gz BNLISNLUEWCIAI-UHFFFAOYSA-N 0 1 229.349 2.231 20 0 BEADMN CCOCCSc1n[nH]c(C(C)(C)C)n1 ZINC000193697875 488001046 /nfs/dbraw/zinc/00/10/46/488001046.db2.gz BNLISNLUEWCIAI-UHFFFAOYSA-N 0 1 229.349 2.231 20 0 BEADMN CC[C@H](O)CN[C@H](C)c1nc(C)sc1C ZINC000229966321 488016547 /nfs/dbraw/zinc/01/65/47/488016547.db2.gz PVYLZDKJDRLMGR-XCBNKYQSSA-N 0 1 228.361 2.181 20 0 BEADMN C=C/C(C)=C/CC(=O)NCCCc1cn[nH]c1C ZINC000682696093 488021596 /nfs/dbraw/zinc/02/15/96/488021596.db2.gz SKCQVJGIZHYSDC-YRNVUSSQSA-N 0 1 247.342 2.289 20 0 BEADMN CCCN(CCO)Cc1ccc(F)c(F)c1F ZINC000667477845 488021662 /nfs/dbraw/zinc/02/16/62/488021662.db2.gz SGIXRQMGALRBDX-UHFFFAOYSA-N 0 1 247.260 2.308 20 0 BEADMN Cc1c(NC(=O)[C@H](C)N(C)C)ccc(F)c1F ZINC000666074188 488022216 /nfs/dbraw/zinc/02/22/16/488022216.db2.gz JCUHIHYHPOQGEH-QMMMGPOBSA-N 0 1 242.269 2.162 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@H](C)C1CCC1 ZINC000677341580 488022404 /nfs/dbraw/zinc/02/24/04/488022404.db2.gz GKGHOKJWTXXOTN-YPMHNXCESA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccsc2)no1 ZINC000044626070 488029730 /nfs/dbraw/zinc/02/97/30/488029730.db2.gz UDOCIBGUIXYMDI-MRVPVSSYSA-N 0 1 223.301 2.469 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccccc2OC)no1 ZINC000044626008 488029969 /nfs/dbraw/zinc/02/99/69/488029969.db2.gz LSYBZTPDHOGENX-JTQLQIEISA-N 0 1 247.298 2.416 20 0 BEADMN CCN(Cc1ccnn1CC1CC1)C1CC1 ZINC000667501291 488031827 /nfs/dbraw/zinc/03/18/27/488031827.db2.gz TWCAJIXXXAYGOK-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CCN(Cc1cn(C2CCC2)nn1)CC(C)C ZINC000667503685 488033691 /nfs/dbraw/zinc/03/36/91/488033691.db2.gz UHPBHLOEQLFXEY-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN CN(Cc1cc(C(F)(F)F)nn1C)CC1CC1 ZINC000667534453 488039890 /nfs/dbraw/zinc/03/98/90/488039890.db2.gz YYQMYSRYAMUQKS-UHFFFAOYSA-N 0 1 247.264 2.281 20 0 BEADMN CC1(C)CCCN1Cc1cn(C2CCC2)nn1 ZINC000667569618 488050382 /nfs/dbraw/zinc/05/03/82/488050382.db2.gz OKKOLVBGJMKVRH-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCCc2sccc2C1 ZINC000682854059 488054047 /nfs/dbraw/zinc/05/40/47/488054047.db2.gz ZOZMHXIOVHYNDQ-JTQLQIEISA-N 0 1 239.340 2.360 20 0 BEADMN CCC[N@@H+]1CC[C@H](N[C@H](C)c2cncs2)C1 ZINC000389206737 488081597 /nfs/dbraw/zinc/08/15/97/488081597.db2.gz ZWLVVDDGXMUPCY-MNOVXSKESA-N 0 1 239.388 2.278 20 0 BEADMN C[C@@H](C(=O)N1CC=C(C(C)(C)C)CC1)N(C)C ZINC000677604570 488083949 /nfs/dbraw/zinc/08/39/49/488083949.db2.gz ZXYAXKZYINJNNQ-NSHDSACASA-N 0 1 238.375 2.141 20 0 BEADMN CCCN(CCO)Cc1cccc(OC)c1F ZINC000166458127 488084926 /nfs/dbraw/zinc/08/49/26/488084926.db2.gz VRECFQSGNYDREJ-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN Nc1nc2c(c(N3CCCCCC3)n1)CCCC2 ZINC000257764378 488087124 /nfs/dbraw/zinc/08/71/24/488087124.db2.gz YXIHIMVYNDREBR-UHFFFAOYSA-N 0 1 246.358 2.318 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667698043 488092121 /nfs/dbraw/zinc/09/21/21/488092121.db2.gz VWUBOFMURPPJRW-NSHDSACASA-N 0 1 219.332 2.061 20 0 BEADMN c1ncn2c1CN(C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000660584949 488093925 /nfs/dbraw/zinc/09/39/25/488093925.db2.gz WEUPDBGMRJAPLT-FRRDWIJNSA-N 0 1 231.343 2.135 20 0 BEADMN Cc1cccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000092430898 488094970 /nfs/dbraw/zinc/09/49/70/488094970.db2.gz SGHWCQMBSWEIMV-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN c1nn2c(c1CN1[C@H]3C=CC[C@@H]1CC3)CCC2 ZINC000667709850 488096205 /nfs/dbraw/zinc/09/62/05/488096205.db2.gz PIRPXKKGPUMWRX-QWHCGFSZSA-N 0 1 229.327 2.122 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cc2n(n1)CCC2 ZINC000667758621 488108156 /nfs/dbraw/zinc/10/81/56/488108156.db2.gz KHFZTTXVLDTHMN-CYBMUJFWSA-N 0 1 219.332 2.060 20 0 BEADMN Cc1noc([C@H](C)N2CCC3(CCC3)C2)n1 ZINC000675184786 488108158 /nfs/dbraw/zinc/10/81/58/488108158.db2.gz TZEYJTANPSWNSG-VIFPVBQESA-N 0 1 221.304 2.315 20 0 BEADMN FC1(F)CC2(CN(CCc3cccnc3)C2)C1 ZINC000677732108 488110184 /nfs/dbraw/zinc/11/01/84/488110184.db2.gz FMIZDSWTOQRZAD-UHFFFAOYSA-N 0 1 238.281 2.355 20 0 BEADMN CC[C@@H](N[C@H](CC)c1ccccc1F)C(N)=O ZINC000379185440 488122201 /nfs/dbraw/zinc/12/22/01/488122201.db2.gz RAGHMBJZNXOPOH-VXGBXAGGSA-N 0 1 238.306 2.130 20 0 BEADMN O=c1[nH]c2ccc(CNCc3ccoc3)cc2[nH]1 ZINC000680135149 487539254 /nfs/dbraw/zinc/53/92/54/487539254.db2.gz RPPHINFAHOCAJV-UHFFFAOYSA-N 0 1 243.266 2.151 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)c1ccc(CN)o1 ZINC000094565389 487542180 /nfs/dbraw/zinc/54/21/80/487542180.db2.gz YGGJGSILTTUFOK-JTQLQIEISA-N 0 1 238.331 2.293 20 0 BEADMN CC(C)[C@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000674264941 487542285 /nfs/dbraw/zinc/54/22/85/487542285.db2.gz DCSSKLMARZYPMY-JSGCOSHPSA-N 0 1 248.370 2.450 20 0 BEADMN CC1(CNC(=O)c2ccc(CN)o2)CCCC1 ZINC000094572138 487545757 /nfs/dbraw/zinc/54/57/57/487545757.db2.gz VXMUXOAGRYJYLY-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CC=CCC2)cc1F ZINC000382535224 487545975 /nfs/dbraw/zinc/54/59/75/487545975.db2.gz ODVBRFHITPUUBC-UHFFFAOYSA-N 0 1 235.258 2.286 20 0 BEADMN Cc1nc(C)c(CN(CCCCO)C2CC2)o1 ZINC000685565058 487547256 /nfs/dbraw/zinc/54/72/56/487547256.db2.gz CHZKQEMNGSEJRE-UHFFFAOYSA-N 0 1 238.331 2.028 20 0 BEADMN CCCCN(C(=O)[C@H](C)N(C)C)[C@H](C)CC ZINC000674287883 487548085 /nfs/dbraw/zinc/54/80/85/487548085.db2.gz PJIRXTXGIMINEI-NEPJUHHUSA-N 0 1 228.380 2.364 20 0 BEADMN C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C)N(C)C ZINC000674287437 487548959 /nfs/dbraw/zinc/54/89/59/487548959.db2.gz DDDFDHZXBGVFEK-NEPJUHHUSA-N 0 1 246.354 2.082 20 0 BEADMN CCn1nc(C)c(CN2CC3(CC3)C2)c1C ZINC000334743549 487553819 /nfs/dbraw/zinc/55/38/19/487553819.db2.gz VTMPWHPULGXRPJ-UHFFFAOYSA-N 0 1 219.332 2.116 20 0 BEADMN c1[nH]nc(-c2cccnc2)c1CN1CC2(CC2)C1 ZINC000334743506 487553840 /nfs/dbraw/zinc/55/38/40/487553840.db2.gz VBKRBRGAPWKEOU-UHFFFAOYSA-N 0 1 240.310 2.068 20 0 BEADMN Cc1cccc2[nH]c(C[N@H+](C)C3(CO)CC3)cc21 ZINC000668797998 487555935 /nfs/dbraw/zinc/55/59/35/487555935.db2.gz JICYFUSFQYRVNP-UHFFFAOYSA-N 0 1 244.338 2.433 20 0 BEADMN C[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C ZINC000674245620 487532494 /nfs/dbraw/zinc/53/24/94/487532494.db2.gz RXJMUGFWGUKEQR-LBPRGKRZSA-N 0 1 248.370 2.031 20 0 BEADMN CC(C)CCC[C@@H](C)NC(=O)[C@H](C)N(C)C ZINC000674245038 487533496 /nfs/dbraw/zinc/53/34/96/487533496.db2.gz ZEYWCBOQYQYHFD-NEPJUHHUSA-N 0 1 228.380 2.268 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1[C@H]1C=CCCC1 ZINC000167804777 487471809 /nfs/dbraw/zinc/47/18/09/487471809.db2.gz PLQVXALXPMKQEF-JQWIXIFHSA-N 0 1 209.289 2.034 20 0 BEADMN C[C@H](NCC(=O)N1CCCC1)c1ccsc1 ZINC000061363529 487473240 /nfs/dbraw/zinc/47/32/40/487473240.db2.gz ULWZGHCLELEVCW-JTQLQIEISA-N 0 1 238.356 2.021 20 0 BEADMN Cc1cccnc1C[N@H+](CCC(=O)[O-])C(C)C ZINC000161042218 487473526 /nfs/dbraw/zinc/47/35/26/487473526.db2.gz GYOFXHBREVBOTC-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3cccnc32)[nH]n1 ZINC000684957044 487475067 /nfs/dbraw/zinc/47/50/67/487475067.db2.gz MRINUJPDBXLNLC-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000668223760 487479096 /nfs/dbraw/zinc/47/90/96/487479096.db2.gz RTIDNFKKSPAACS-WCFLWFBJSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CO[C@H](C3CC3)C2)c2nccn21 ZINC000668223786 487479209 /nfs/dbraw/zinc/47/92/09/487479209.db2.gz TVPQAVQAKWGLIV-IXOXFDKPSA-N 0 1 247.342 2.046 20 0 BEADMN C[C@H](C[N@H+](CC(=O)[O-])CC1CC1)C(C)(C)C ZINC000380799571 487487137 /nfs/dbraw/zinc/48/71/37/487487137.db2.gz CDOYKXBPVZVFBB-SNVBAGLBSA-N 0 1 227.348 2.465 20 0 BEADMN CCCC[C@@H](CC)CC(=O)NCc1c[nH]nn1 ZINC000673950449 487490054 /nfs/dbraw/zinc/49/00/54/487490054.db2.gz HVOLIYKAZPLSLK-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCC(=O)[O-])C(C)(C)C ZINC000308790945 487494217 /nfs/dbraw/zinc/49/42/17/487494217.db2.gz IGOSPKFNLVLYMF-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CC(C)c1ncc(CN(C)[C@H]2CCCOC2)cn1 ZINC000685040960 487496021 /nfs/dbraw/zinc/49/60/21/487496021.db2.gz UHWFXCTUXGUBPO-ZDUSSCGKSA-N 0 1 249.358 2.211 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1C(=O)[O-] ZINC000406070264 487498957 /nfs/dbraw/zinc/49/89/57/487498957.db2.gz QWTHDUFXGXCLMS-ZYHUDNBSSA-N 0 1 239.359 2.465 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC(C)(C)C1CC1)C(=O)[O-] ZINC000406080656 487500116 /nfs/dbraw/zinc/50/01/16/487500116.db2.gz XCLNCNISYRCSRV-JTQLQIEISA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccn(C)n1 ZINC000666120148 487504159 /nfs/dbraw/zinc/50/41/59/487504159.db2.gz JDVVJLAKHMDSAF-RKDXNWHRSA-N 0 1 229.274 2.259 20 0 BEADMN CO[C@H]1C[C@H](NCc2nc(C)oc2C)C1(C)C ZINC000660699776 487517339 /nfs/dbraw/zinc/51/73/39/487517339.db2.gz HUMOPIGUVKMMBT-RYUDHWBXSA-N 0 1 238.331 2.195 20 0 BEADMN C[C@@H](C1CC1)[N@H+](C)Cc1ncccc1[O-] ZINC000685410830 487517393 /nfs/dbraw/zinc/51/73/93/487517393.db2.gz LDGYZOHLXUMVMV-VIFPVBQESA-N 0 1 206.289 2.018 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1ncccc1[O-] ZINC000685410830 487517396 /nfs/dbraw/zinc/51/73/96/487517396.db2.gz LDGYZOHLXUMVMV-VIFPVBQESA-N 0 1 206.289 2.018 20 0 BEADMN CN(Cc1n[nH]c2ccccc21)[C@@H]1CCCOC1 ZINC000685438710 487523639 /nfs/dbraw/zinc/52/36/39/487523639.db2.gz NUHSVJDMOZKJBU-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN CO[C@@H](C)CN(C)Cc1nn(C)c2ccccc12 ZINC000685447498 487524568 /nfs/dbraw/zinc/52/45/68/487524568.db2.gz JRGNMRCXERFWAU-NSHDSACASA-N 0 1 247.342 2.040 20 0 BEADMN CO[C@H](C)CN(C)Cc1nn(C)c2ccccc12 ZINC000685447497 487524717 /nfs/dbraw/zinc/52/47/17/487524717.db2.gz JRGNMRCXERFWAU-LLVKDONJSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000379913736 488156167 /nfs/dbraw/zinc/15/61/67/488156167.db2.gz OLJOFJPCKAZNJV-VHSXEESVSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H](C(=O)Nc1cnc2ccccc2c1)N(C)C ZINC000674244285 487534052 /nfs/dbraw/zinc/53/40/52/487534052.db2.gz ANWRITAGAXTXOC-JTQLQIEISA-N 0 1 243.310 2.123 20 0 BEADMN CCc1ccc(CN(C)C(=O)[C@H](C)N(C)C)cc1 ZINC000674244725 487534392 /nfs/dbraw/zinc/53/43/92/487534392.db2.gz UIOCRLLZCXNBHI-LBPRGKRZSA-N 0 1 248.370 2.158 20 0 BEADMN CCCN(Cc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000674244576 487534401 /nfs/dbraw/zinc/53/44/01/487534401.db2.gz IGOSIOVBTRRMRA-ZDUSSCGKSA-N 0 1 248.370 2.375 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)Cc2ccn[nH]2)[C@H]1C(C)C ZINC000456356845 487629715 /nfs/dbraw/zinc/62/97/15/487629715.db2.gz XRXINHDDNPRGCG-JSGCOSHPSA-N 0 1 249.358 2.091 20 0 BEADMN CCn1cc(CCN2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000671626544 487652842 /nfs/dbraw/zinc/65/28/42/487652842.db2.gz VTYBSDXOMQHBKL-AAEUAGOBSA-N 0 1 239.338 2.125 20 0 BEADMN CC(C)[C@H]1CN(C(=O)[C@H](C)N(C)C)[C@H]1C(C)C ZINC000653956627 487693742 /nfs/dbraw/zinc/69/37/42/487693742.db2.gz WBOYBKBAHQJNCJ-XQQFMLRXSA-N 0 1 240.391 2.076 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)[C@H](C)N(C)C)[C@H]1C(C)C ZINC000653956625 487693754 /nfs/dbraw/zinc/69/37/54/487693754.db2.gz WBOYBKBAHQJNCJ-AVGNSLFASA-N 0 1 240.391 2.076 20 0 BEADMN Cc1cc2cc(CNCc3cn[nH]c3)ccc2[nH]1 ZINC000671730922 487712318 /nfs/dbraw/zinc/71/23/18/487712318.db2.gz PQBXLWKUSRAXGA-UHFFFAOYSA-N 0 1 240.310 2.489 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@@H]2CCC[C@H]21 ZINC000681711635 487848668 /nfs/dbraw/zinc/84/86/68/487848668.db2.gz GALRGAPKYDLOLU-GXSJLCMTSA-N 0 1 233.315 2.321 20 0 BEADMN COCCCNc1cc[nH+]c2c([O-])cccc12 ZINC000682236173 487932756 /nfs/dbraw/zinc/93/27/56/487932756.db2.gz BKJVJQPXLAEDDF-UHFFFAOYSA-N 0 1 232.283 2.389 20 0 BEADMN CC[C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000669264320 488136666 /nfs/dbraw/zinc/13/66/66/488136666.db2.gz CMNIJBVWXOYEDL-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(CC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000683247359 488137541 /nfs/dbraw/zinc/13/75/41/488137541.db2.gz NDGLJYYUWNSJRA-JTQLQIEISA-N 0 1 233.315 2.094 20 0 BEADMN Cc1cc(CNC2CC(C(F)(F)F)C2)no1 ZINC000459569378 488141392 /nfs/dbraw/zinc/14/13/92/488141392.db2.gz NAUOQWIXWBOZBJ-UHFFFAOYSA-N 0 1 234.221 2.414 20 0 BEADMN CC(C)(CCNC(=O)CCc1cnc[nH]1)C1CC1 ZINC000294030356 488141832 /nfs/dbraw/zinc/14/18/32/488141832.db2.gz CYJKUIUPJFNSQD-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)[O-] ZINC000403895853 488141940 /nfs/dbraw/zinc/14/19/40/488141940.db2.gz YLQWNGKLJWMEFY-KKOKHZNYSA-N 0 1 225.332 2.075 20 0 BEADMN Cc1cnc(CN[C@H]2CO[C@@H](C3CC3)C2)s1 ZINC000667869812 488142351 /nfs/dbraw/zinc/14/23/51/488142351.db2.gz HVLBGQYIOQDHMV-GHMZBOCLSA-N 0 1 238.356 2.109 20 0 BEADMN Clc1ccc(CN2CC[C@@H]3COC[C@H]3C2)o1 ZINC000668704963 488143116 /nfs/dbraw/zinc/14/31/16/488143116.db2.gz GGAVIPSTZVSOHU-NXEZZACHSA-N 0 1 241.718 2.401 20 0 BEADMN CCN(CC(=O)N(C)C)[C@@H](C)c1cccc(C)c1 ZINC000677883286 488146663 /nfs/dbraw/zinc/14/66/63/488146663.db2.gz OXOOPLPDHMCUEV-ZDUSSCGKSA-N 0 1 248.370 2.466 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000160608470 488147765 /nfs/dbraw/zinc/14/77/65/488147765.db2.gz DYVQPDGVXHWYRG-LLVKDONJSA-N 0 1 243.347 2.129 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCCCCF ZINC000379776745 488151856 /nfs/dbraw/zinc/15/18/56/488151856.db2.gz DPVVHSSWCRQWNL-LLVKDONJSA-N 0 1 217.284 2.065 20 0 BEADMN c1nc(CN2CC[C@@H](Cc3ccncc3)C2)co1 ZINC000683354996 488152285 /nfs/dbraw/zinc/15/22/85/488152285.db2.gz KJOFJDNYUVPMAW-ZDUSSCGKSA-N 0 1 243.310 2.134 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C)CC1 ZINC000677909266 488154202 /nfs/dbraw/zinc/15/42/02/488154202.db2.gz UQJQLPNAKMCEQT-UHFFFAOYSA-N 0 1 235.331 2.371 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000230797865 488158072 /nfs/dbraw/zinc/15/80/72/488158072.db2.gz HPPWXBPOFQBKGX-FZMZJTMJSA-N 0 1 246.354 2.252 20 0 BEADMN CC1(CN2CCOc3ccc(O)cc3C2)CC1 ZINC000668724067 488166118 /nfs/dbraw/zinc/16/61/18/488166118.db2.gz JTBPAILTERDVIC-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CC=CCC1 ZINC000059406300 488169895 /nfs/dbraw/zinc/16/98/95/488169895.db2.gz MEMFOSXFLQEMPC-UHFFFAOYSA-N 0 1 237.686 2.448 20 0 BEADMN C[C@@H](CO)CN1CCc2[nH]c3ccccc3c2C1 ZINC000678046793 488183268 /nfs/dbraw/zinc/18/32/68/488183268.db2.gz RUUOYVOLAHHMGW-LLVKDONJSA-N 0 1 244.338 2.154 20 0 BEADMN CO[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453207855 488185702 /nfs/dbraw/zinc/18/57/02/488185702.db2.gz BPVMUBYGKKDJSJ-QNWHQSFQSA-N 0 1 249.358 2.436 20 0 BEADMN c1c(CN2CC[C@@H]3CCC[C@@H]32)nnn1C1CCC1 ZINC000668013148 488186052 /nfs/dbraw/zinc/18/60/52/488186052.db2.gz QWYVRWBTKURGJB-FZMZJTMJSA-N 0 1 246.358 2.378 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000299932081 488194857 /nfs/dbraw/zinc/19/48/57/488194857.db2.gz RKNWAMRODCRCMV-MFKMUULPSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)N(C)Cc1cn2cccc(F)c2n1 ZINC000678121241 488200460 /nfs/dbraw/zinc/20/04/60/488200460.db2.gz ZJQRLBXOYNTNLW-UHFFFAOYSA-N 0 1 221.279 2.314 20 0 BEADMN C[C@H]1C[C@H]1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683637814 488204715 /nfs/dbraw/zinc/20/47/15/488204715.db2.gz HEKPHIYJEFCDIO-GXSJLCMTSA-N 0 1 249.358 2.322 20 0 BEADMN CC(C)Cn1[nH]c(Cc2ccccc2)cc1=O ZINC000668119347 488206626 /nfs/dbraw/zinc/20/66/26/488206626.db2.gz XHMJKQXJMPMMKW-UHFFFAOYSA-N 0 1 230.311 2.473 20 0 BEADMN Cc1cc2cc(CN[C@H](C)C(N)=O)oc2cc1C ZINC000683723827 488213212 /nfs/dbraw/zinc/21/32/12/488213212.db2.gz HRDINYCNNOQOSU-SNVBAGLBSA-N 0 1 246.310 2.013 20 0 BEADMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000678184168 488214987 /nfs/dbraw/zinc/21/49/87/488214987.db2.gz BBUSYHWHAFQLNV-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN NCc1ccc(C(=O)N2CCC3(CCC3)CC2)o1 ZINC000308698772 488215359 /nfs/dbraw/zinc/21/53/59/488215359.db2.gz PXZDTBIEGPNNCD-UHFFFAOYSA-N 0 1 248.326 2.145 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC1CCC1 ZINC000398707626 488222700 /nfs/dbraw/zinc/22/27/00/488222700.db2.gz CGDAVGOJMNMLMT-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN c1cn([C@@H]2CCCN(Cc3cncs3)C2)cn1 ZINC000678235525 488223044 /nfs/dbraw/zinc/22/30/44/488223044.db2.gz VOBPHBKLQKATCU-LLVKDONJSA-N 0 1 248.355 2.177 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683789987 488223121 /nfs/dbraw/zinc/22/31/21/488223121.db2.gz UOURRAWROALPAA-HTRCEHHLSA-N 0 1 233.246 2.297 20 0 BEADMN O=C([O-])C[C@H]1CSCC[N@H+]1CCC1CCC1 ZINC000398748940 488223795 /nfs/dbraw/zinc/22/37/95/488223795.db2.gz WJJAPLXGYPDJAW-NSHDSACASA-N 0 1 243.372 2.069 20 0 BEADMN CC(C)[N@H+](Cc1[nH]nc2ccccc21)C[C@@H](C)O ZINC000678241782 488224813 /nfs/dbraw/zinc/22/48/13/488224813.db2.gz OEVBESOHEZZQHN-LLVKDONJSA-N 0 1 247.342 2.154 20 0 BEADMN Cc1nnc(NC(=O)C2CCC(C3CC3)CC2)[nH]1 ZINC000668211109 488226655 /nfs/dbraw/zinc/22/66/55/488226655.db2.gz XAZXHUMZKMFVPO-UHFFFAOYSA-N 0 1 248.330 2.268 20 0 BEADMN Cc1nnc(NC(=O)C2CC3(C2)CCCCC3)[nH]1 ZINC000668211113 488227070 /nfs/dbraw/zinc/22/70/70/488227070.db2.gz XHGPLINYQFLYAO-UHFFFAOYSA-N 0 1 248.330 2.412 20 0 BEADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cn[nH]c1 ZINC000683900240 488241676 /nfs/dbraw/zinc/24/16/76/488241676.db2.gz RWXRCPYDAQUIFL-LBPRGKRZSA-N 0 1 245.330 2.087 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000683919784 488244964 /nfs/dbraw/zinc/24/49/64/488244964.db2.gz OKTWASYEJMETKX-SNVBAGLBSA-N 0 1 237.347 2.238 20 0 BEADMN C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCCC1(F)F ZINC000672622426 488262291 /nfs/dbraw/zinc/26/22/91/488262291.db2.gz HXKBVKPZESCKDM-USWWRNFRSA-N 0 1 244.329 2.247 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cn2cccc(C)c2n1 ZINC000678591220 488269491 /nfs/dbraw/zinc/26/94/91/488269491.db2.gz JQNIUPUTIGEMQZ-NEPJUHHUSA-N 0 1 247.342 2.156 20 0 BEADMN CN(C(=O)[C@H]1CCCCN1C)C1CCCCC1 ZINC000684161772 488270698 /nfs/dbraw/zinc/27/06/98/488270698.db2.gz FSJNEMKDETVIKT-CYBMUJFWSA-N 0 1 238.375 2.262 20 0 BEADMN CCCCn1cc(CNCc2cn[nH]c2)c(C)n1 ZINC000678623199 488273101 /nfs/dbraw/zinc/27/31/01/488273101.db2.gz BQPBQBFRCZSHPW-UHFFFAOYSA-N 0 1 247.346 2.005 20 0 BEADMN Cc1nc2ccccn2c1CN1CC=CCC1 ZINC000679321655 488336010 /nfs/dbraw/zinc/33/60/10/488336010.db2.gz UVJUVJHBISGXMO-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H]2C(C)C)n[nH]1 ZINC000678879020 488292656 /nfs/dbraw/zinc/29/26/56/488292656.db2.gz VEYFZIXIQJVJIM-GFCCVEGCSA-N 0 1 235.331 2.233 20 0 BEADMN Cc1nnc([C@H](C)NC[C@H]2CCC(F)(F)C2)o1 ZINC000684654460 488336318 /nfs/dbraw/zinc/33/63/18/488336318.db2.gz KDDMYAKMCBMPGP-CBAPKCEASA-N 0 1 245.273 2.464 20 0 BEADMN Cc1noc(C(F)F)c1C(=O)Nc1cnoc1 ZINC000673653458 488300174 /nfs/dbraw/zinc/30/01/74/488300174.db2.gz CZFCGPBUWVHDNN-UHFFFAOYSA-N 0 1 243.169 2.161 20 0 BEADMN CN(Cc1nnc2ccccn21)CC1CCCC1 ZINC000673712372 488305594 /nfs/dbraw/zinc/30/55/94/488305594.db2.gz XKSBEGFHWWIAMW-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)C[C@@H](C2CC2)O1 ZINC000684412232 488308862 /nfs/dbraw/zinc/30/88/62/488308862.db2.gz TWRRJALEWIPXSS-ABAIWWIYSA-N 0 1 247.338 2.392 20 0 BEADMN CO[C@@H](C)[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000679127377 488311068 /nfs/dbraw/zinc/31/10/68/488311068.db2.gz MGHMMEVWQVPYBP-MNOVXSKESA-N 0 1 246.314 2.103 20 0 BEADMN Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)n[nH]1 ZINC000679168118 488314185 /nfs/dbraw/zinc/31/41/85/488314185.db2.gz YQCQBHHHXNZSLS-JOYOIKCWSA-N 0 1 247.342 2.080 20 0 BEADMN CCC(C)(CC)C(=O)NCCN1CC=CCC1 ZINC000684502231 488323094 /nfs/dbraw/zinc/32/30/94/488323094.db2.gz NYJFKUVGCQDPDN-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN Fc1cccc([C@H]2CCN2Cc2cnc[nH]2)c1 ZINC000684617632 488332608 /nfs/dbraw/zinc/33/26/08/488332608.db2.gz AKZJQTIGFRWART-CYBMUJFWSA-N 0 1 231.274 2.496 20 0 BEADMN Cc1nn(C)c2ncc(CN3CC=CCC3)cc12 ZINC000679323878 488337706 /nfs/dbraw/zinc/33/77/06/488337706.db2.gz JHOIYJPEZKRKDS-UHFFFAOYSA-N 0 1 242.326 2.039 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC=CCC1 ZINC000679327939 488339683 /nfs/dbraw/zinc/33/96/83/488339683.db2.gz XWBTZMVCDBOVAW-UHFFFAOYSA-N 0 1 233.315 2.244 20 0 BEADMN Cc1cccc2ncc(CN3CC=CCC3)n21 ZINC000679360129 488345658 /nfs/dbraw/zinc/34/56/58/488345658.db2.gz RGWULQFYXJWGQF-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN Fc1ccc(CCNCc2ccon2)c(F)c1 ZINC000679841347 488368270 /nfs/dbraw/zinc/36/82/70/488368270.db2.gz YMYGSFVQOOUQHR-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN c1cnc2cccc(C[N@H+]3CCCOCC3)c2c1 ZINC000020865415 490104409 /nfs/dbraw/zinc/10/44/09/490104409.db2.gz HKBYDYWZEAARAR-UHFFFAOYSA-N 0 1 242.322 2.457 20 0 BEADMN c1ccc2c(c1)OC[C@H](CN1CC=CCC1)O2 ZINC000679322504 490113248 /nfs/dbraw/zinc/11/32/48/490113248.db2.gz ANGJIEHJENZVEK-LBPRGKRZSA-N 0 1 231.295 2.088 20 0 BEADMN CC(C)[C@@H](C)NC(=O)CN1CCC12CCCC2 ZINC000649655663 490198796 /nfs/dbraw/zinc/19/87/96/490198796.db2.gz KSGSDARLAPVZRB-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000078713156 490220125 /nfs/dbraw/zinc/22/01/25/490220125.db2.gz RBJSQTSSCKVHFN-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000078759678 490234173 /nfs/dbraw/zinc/23/41/73/490234173.db2.gz WRXMFZQLTGEYRO-AVGNSLFASA-N 0 1 248.370 2.245 20 0 BEADMN CCc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)n[nH]1 ZINC000110713237 490411831 /nfs/dbraw/zinc/41/18/31/490411831.db2.gz CAUDYNCHHIJFLW-AOOOYVTPSA-N 0 1 235.331 2.375 20 0 BEADMN C[C@H](NC[C@H](O)C(C)(C)C)c1cscn1 ZINC000127854299 490563945 /nfs/dbraw/zinc/56/39/45/490563945.db2.gz LEQMGCPUTFJMBE-WPRPVWTQSA-N 0 1 228.361 2.201 20 0 BEADMN CCC1(O)CCC(NCc2cscn2)CC1 ZINC000129154612 490601903 /nfs/dbraw/zinc/60/19/03/490601903.db2.gz ZLJXGWCRWOIZOQ-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)n[nH]1 ZINC000131455558 490640341 /nfs/dbraw/zinc/64/03/41/490640341.db2.gz UUVAHDGJBPODNE-GHMZBOCLSA-N 0 1 249.358 2.480 20 0 BEADMN CO[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1C ZINC000227542648 491062888 /nfs/dbraw/zinc/06/28/88/491062888.db2.gz NCGLUFACRJXVST-FZMZJTMJSA-N 0 1 235.327 2.249 20 0 BEADMN CC[C@@H](C)[N@@H+](CC)CCCCC(=O)[O-] ZINC000037113513 491078867 /nfs/dbraw/zinc/07/88/67/491078867.db2.gz SFYSCSXWFLQXSW-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN COc1cccc2c1CN(C[C@@H]1CCCO1)CC2 ZINC000650106550 491085710 /nfs/dbraw/zinc/08/57/10/491085710.db2.gz GOYYKLMAPPTPSU-ZDUSSCGKSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@H](CC(=O)NCc1cnc[nH]1)CC(C)(C)C ZINC000088753606 491108275 /nfs/dbraw/zinc/10/82/75/491108275.db2.gz XIAPFAZWTGRRGE-SNVBAGLBSA-N 0 1 237.347 2.488 20 0 BEADMN C[C@H](O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000291874614 491117789 /nfs/dbraw/zinc/11/77/89/491117789.db2.gz HSEQPYKADRBCAM-GMXVVIOVSA-N 0 1 234.343 2.234 20 0 BEADMN C[C@H](O)[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000291874614 491117791 /nfs/dbraw/zinc/11/77/91/491117791.db2.gz HSEQPYKADRBCAM-GMXVVIOVSA-N 0 1 234.343 2.234 20 0 BEADMN C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H](C)C1(F)F ZINC000625651970 491125276 /nfs/dbraw/zinc/12/52/76/491125276.db2.gz FQTWQJKRNJJXHE-AOOOYVTPSA-N 0 1 243.301 2.175 20 0 BEADMN CC[C@@H]1C(=O)NCCN1C[C@@H](C)c1ccccc1 ZINC000076416716 491125335 /nfs/dbraw/zinc/12/53/35/491125335.db2.gz ODMMLSXGHWMTSZ-TZMCWYRMSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)C ZINC000133867892 491160859 /nfs/dbraw/zinc/16/08/59/491160859.db2.gz ICYWQZDOAAYXOA-CQSZACIVSA-N 0 1 246.354 2.084 20 0 BEADMN C[C@H](NCCF)c1ccc(C(=O)N(C)C)cc1 ZINC000494969814 533855775 /nfs/dbraw/zinc/85/57/75/533855775.db2.gz GBJIKYSZGFXMLC-JTQLQIEISA-N 0 1 238.306 2.009 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)c2ccccc2)[C@H](C)C1 ZINC000335717108 535777542 /nfs/dbraw/zinc/77/75/42/535777542.db2.gz ALNCRVHOHKLGHR-CHWSQXEVSA-N 0 1 246.354 2.241 20 0 BEADMN CCN(CCOC)Cc1cnn(C2CCC2)c1 ZINC000891583319 582699859 /nfs/dbraw/zinc/69/98/59/582699859.db2.gz DGKWVHNNBZGSFU-UHFFFAOYSA-N 0 1 237.347 2.076 20 0 BEADMN FCCNCc1ccc(OC(F)F)cc1 ZINC000280614860 518195991 /nfs/dbraw/zinc/19/59/91/518195991.db2.gz DWUDMDQZTRSCCJ-UHFFFAOYSA-N 0 1 219.206 2.347 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC=C(F)C1 ZINC000273105589 518202012 /nfs/dbraw/zinc/20/20/12/518202012.db2.gz QLHPYRMJXVVCFE-UHFFFAOYSA-N 0 1 239.221 2.231 20 0 BEADMN CCn1cc(CN2CCSC[C@H]2C)c(C)n1 ZINC000892046065 582771597 /nfs/dbraw/zinc/77/15/97/582771597.db2.gz MEIRYFSRVYCCFU-SNVBAGLBSA-N 0 1 239.388 2.149 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000493287339 534538225 /nfs/dbraw/zinc/53/82/25/534538225.db2.gz MCQBAIUNCPVUKM-FCZSHJHJSA-N 0 1 248.330 2.037 20 0 BEADMN CCCS(=O)(=O)CCN1[C@H](C)CCC[C@H]1C ZINC000108918363 582867150 /nfs/dbraw/zinc/86/71/50/582867150.db2.gz WTAQTGSWJIGRGO-VXGBXAGGSA-N 0 1 247.404 2.074 20 0 BEADMN CC(=O)OC[C@H](C)NCc1ccccc1Cl ZINC000892451602 582889621 /nfs/dbraw/zinc/88/96/21/582889621.db2.gz XXPHGTAAFUHLHE-VIFPVBQESA-N 0 1 241.718 2.381 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@H](C)[C@H](O)C2)c1 ZINC000336198704 534888553 /nfs/dbraw/zinc/88/85/53/534888553.db2.gz OKYGFTWNGJQVMP-XHDPSFHLSA-N 0 1 247.338 2.092 20 0 BEADMN COC[C@@H](C)CNCc1ncc(Cl)s1 ZINC000225331050 536507998 /nfs/dbraw/zinc/50/79/98/536507998.db2.gz DBCPEBRUHPBIKY-ZETCQYMHSA-N 0 1 234.752 2.169 20 0 BEADMN CC=C(C=CC(=O)N[C@@H](C)c1n[nH]c(C)n1)CC ZINC000493842258 527553761 /nfs/dbraw/zinc/55/37/61/527553761.db2.gz HAGFJWWQVMWTLX-VRJBJXKYSA-N 0 1 248.330 2.203 20 0 BEADMN CC(C)C(CNC(=O)[C@@H]1CCCN1C)C(C)C ZINC000469833770 527584407 /nfs/dbraw/zinc/58/44/07/527584407.db2.gz HLMNCFOUBCHUQS-ZDUSSCGKSA-N 0 1 240.391 2.125 20 0 BEADMN CC=CC=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000493002852 527609010 /nfs/dbraw/zinc/60/90/10/527609010.db2.gz GKCIUTUKUNWUMC-YLQBLWJDSA-N 0 1 231.299 2.036 20 0 BEADMN CC(C)Oc1cccc(CN2CC(CCO)C2)c1 ZINC000459588839 528223695 /nfs/dbraw/zinc/22/36/95/528223695.db2.gz GXTLQSXNTYZVIT-UHFFFAOYSA-N 0 1 249.354 2.288 20 0 BEADMN CCCN1CCN(C(=O)CCC2CCC2)CC1 ZINC000487301962 528238880 /nfs/dbraw/zinc/23/88/80/528238880.db2.gz IOOKRDJZALJFSX-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCCN1CCN(CC2CCC2)C(C)(C)C1=O ZINC000495199971 528244658 /nfs/dbraw/zinc/24/46/58/528244658.db2.gz GZZKIMZBGCKDCQ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)c1ncc(CN(C)CCCCO)s1 ZINC000471816040 528346539 /nfs/dbraw/zinc/34/65/39/528346539.db2.gz MIGVFWXXZWKHMX-UHFFFAOYSA-N 0 1 242.388 2.471 20 0 BEADMN CCCCN1CCN(CCC)C(=O)C1(C)C ZINC000495212374 528472299 /nfs/dbraw/zinc/47/22/99/528472299.db2.gz RUUVFEGKMLZBAK-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1[C@@H]1C=CCCC1 ZINC000495232323 529264470 /nfs/dbraw/zinc/26/44/70/529264470.db2.gz RJMIPBJTXTWSOJ-CHWSQXEVSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)(C)c1cnc(CN[C@H]2CCOC2)s1 ZINC000309323658 535144296 /nfs/dbraw/zinc/14/42/96/535144296.db2.gz FUTNGFWNRDKDMN-VIFPVBQESA-N 0 1 240.372 2.319 20 0 BEADMN CC(C)n1nccc1CN[C@H]1C[C@H]1C(F)F ZINC000348121228 535147991 /nfs/dbraw/zinc/14/79/91/535147991.db2.gz SSECRRWXHOYSSR-ZJUUUORDSA-N 0 1 229.274 2.207 20 0 BEADMN CC(C)c1cc(C(=O)N2[C@H](C)C[C@@H]2C)n[nH]1 ZINC000336066347 535359303 /nfs/dbraw/zinc/35/93/03/535359303.db2.gz NAWHTOSYZKPBMN-DTORHVGOSA-N 0 1 221.304 2.156 20 0 BEADMN CCOC(=O)[C@@H](CC(C)C)N(C)CC1CC1 ZINC000182070604 535441991 /nfs/dbraw/zinc/44/19/91/535441991.db2.gz WZFFUESSMGIXEL-GFCCVEGCSA-N 0 1 227.348 2.306 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC[C@H]1CC1(C)C ZINC000352291413 535500811 /nfs/dbraw/zinc/50/08/11/535500811.db2.gz XWYXNDOLMUVQEM-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352188606 535623417 /nfs/dbraw/zinc/62/34/17/535623417.db2.gz GHRAJYGXLWUBLN-NSHDSACASA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000224315706 535626738 /nfs/dbraw/zinc/62/67/38/535626738.db2.gz HUTBZBBLRVPYJL-GXTWGEPZSA-N 0 1 247.338 2.428 20 0 BEADMN CCC[C@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342403869 535627826 /nfs/dbraw/zinc/62/78/26/535627826.db2.gz VBPGRICOUWALSX-WDEREUQCSA-N 0 1 249.358 2.477 20 0 BEADMN CCC[C@H](C)N(C)Cc1ncc(C)n1C ZINC000342799085 535632651 /nfs/dbraw/zinc/63/26/51/535632651.db2.gz NBCDQIKTKDMWDW-JTQLQIEISA-N 0 1 209.337 2.349 20 0 BEADMN CCC[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000268212393 535729258 /nfs/dbraw/zinc/72/92/58/535729258.db2.gz ZZVLRTVUQYESDK-JTQLQIEISA-N 0 1 245.330 2.369 20 0 BEADMN CC[C@@H](NCCn1cccn1)c1nccs1 ZINC000070732911 535804260 /nfs/dbraw/zinc/80/42/60/535804260.db2.gz MSMFWKYSBGSDNP-SNVBAGLBSA-N 0 1 236.344 2.081 20 0 BEADMN CCc1noc([C@H](C)N2CC[C@H](C)[C@@H]2C)n1 ZINC000177904760 535898915 /nfs/dbraw/zinc/89/89/15/535898915.db2.gz OVQLYZBTTLCNMY-GUBZILKMSA-N 0 1 223.320 2.423 20 0 BEADMN CC[C@@]1(C)CCCN([C@H](C)c2nncn2C)C1 ZINC000336147767 536040334 /nfs/dbraw/zinc/04/03/34/536040334.db2.gz XDBQJVCQERPJFK-YPMHNXCESA-N 0 1 236.363 2.388 20 0 BEADMN CC[C@@]1(C)C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000261667054 536066287 /nfs/dbraw/zinc/06/62/87/536066287.db2.gz FZKGTEQRIGPJAH-KCJUWKMLSA-N 0 1 221.304 2.311 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@@H]2CC)n[nH]1 ZINC000334616620 536117904 /nfs/dbraw/zinc/11/79/04/536117904.db2.gz NUYBVPXURHANDI-KOLCDFICSA-N 0 1 235.331 2.233 20 0 BEADMN CCc1ccc(CN2CCN(CC)C[C@H]2C)o1 ZINC000348546677 536175704 /nfs/dbraw/zinc/17/57/04/536175704.db2.gz NDXGIGUSAJFKLM-GFCCVEGCSA-N 0 1 236.359 2.368 20 0 BEADMN CN(CCCCCO)Cc1ccncc1Cl ZINC000227114875 536333171 /nfs/dbraw/zinc/33/31/71/536333171.db2.gz UUKUKFXXALMUBC-UHFFFAOYSA-N 0 1 242.750 2.329 20 0 BEADMN COC1CC(N[C@@H](C)c2c(F)cncc2F)C1 ZINC000348837092 536721833 /nfs/dbraw/zinc/72/18/33/536721833.db2.gz GOQLFJIUVBXBLO-UEJVZZJDSA-N 0 1 242.269 2.188 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])ccc1C ZINC000263416791 536757390 /nfs/dbraw/zinc/75/73/90/536757390.db2.gz NNNLTZLNOBTWKX-LBPRGKRZSA-N 0 1 249.310 2.053 20 0 BEADMN COC(C)(C)CNCc1ncc(Cl)s1 ZINC000225358984 536887927 /nfs/dbraw/zinc/88/79/27/536887927.db2.gz FLBJRYXPOPTTDM-UHFFFAOYSA-N 0 1 234.752 2.311 20 0 BEADMN C[C@@H](C(=O)N(C)[C@@H]1CCc2ccccc21)N(C)C ZINC000145793210 537825565 /nfs/dbraw/zinc/82/55/65/537825565.db2.gz BSWPWSUWXFKKJC-SMDDNHRTSA-N 0 1 246.354 2.082 20 0 BEADMN CC(C)[C@H](NCc1csnn1)C1CC1 ZINC000323975254 537907609 /nfs/dbraw/zinc/90/76/09/537907609.db2.gz JCMMJPLSLLPGMD-JTQLQIEISA-N 0 1 211.334 2.062 20 0 BEADMN Cc1cnc(CNC2Cc3ccccc3C2)o1 ZINC000236000088 537908050 /nfs/dbraw/zinc/90/80/50/537908050.db2.gz TWQQZTWGISJJNS-UHFFFAOYSA-N 0 1 228.295 2.240 20 0 BEADMN c1cn(-c2ccccc2)c(NCc2cn[nH]c2)n1 ZINC000232462442 538109900 /nfs/dbraw/zinc/10/99/00/538109900.db2.gz PMSQPCBYEUBKDJ-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN c1ccc2c(c1)CCC[C@@H]2N1CCOCC1 ZINC000076408079 566282221 /nfs/dbraw/zinc/28/22/21/566282221.db2.gz TZGNSTPPYJJTMW-AWEZNQCLSA-N 0 1 217.312 2.396 20 0 BEADMN C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CCC1 ZINC000130238923 566296146 /nfs/dbraw/zinc/29/61/46/566296146.db2.gz LNGHNJMZANLEJC-SECBINFHSA-N 0 1 243.310 2.481 20 0 BEADMN CCn1cc(N[C@@H](C)c2cn[nH]c2C)cn1 ZINC000134609244 566329095 /nfs/dbraw/zinc/32/90/95/566329095.db2.gz XVCGJFUAXORGLU-QMMMGPOBSA-N 0 1 219.292 2.108 20 0 BEADMN CN(Cc1cnon1)C1CCC(C)(C)CC1 ZINC000851807250 582967886 /nfs/dbraw/zinc/96/78/86/582967886.db2.gz DPYLWWDJSGORSN-UHFFFAOYSA-N 0 1 223.320 2.470 20 0 BEADMN COc1cc(CNC(=O)C(F)(F)F)ccc1C ZINC000725889504 583065257 /nfs/dbraw/zinc/06/52/57/583065257.db2.gz LLDHTLHUMVIMCJ-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN CCN1CCN(Cc2cc(C)co2)C[C@H]1C ZINC000894014078 583275447 /nfs/dbraw/zinc/27/54/47/583275447.db2.gz IEMMGDYUJCHEKS-GFCCVEGCSA-N 0 1 222.332 2.114 20 0 BEADMN CCN1CCN(Cc2cc(C)co2)C[C@@H]1C ZINC000894014079 583275712 /nfs/dbraw/zinc/27/57/12/583275712.db2.gz IEMMGDYUJCHEKS-LBPRGKRZSA-N 0 1 222.332 2.114 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1F ZINC000853213537 588725282 /nfs/dbraw/zinc/72/52/82/588725282.db2.gz KCDZJUMSAFSUJT-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN CCCCCCC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853214091 588725603 /nfs/dbraw/zinc/72/56/03/588725603.db2.gz DIYUBEDAFQTLKT-VIFPVBQESA-N 0 1 225.292 2.379 20 0 BEADMN CCC[C@H](C)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853217594 588725826 /nfs/dbraw/zinc/72/58/26/588725826.db2.gz BSTVMUGAIKOCJZ-IUCAKERBSA-N 0 1 225.292 2.235 20 0 BEADMN C[C@@H](OC(=O)/C=C1\CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219247 588725980 /nfs/dbraw/zinc/72/59/80/588725980.db2.gz DRNDBRYUCGKWFN-BBYBQBAKSA-N 0 1 235.287 2.155 20 0 BEADMN CCC1(C(=O)O[C@H](C)c2nnc[nH]2)CCCC1 ZINC000853220972 588726304 /nfs/dbraw/zinc/72/63/04/588726304.db2.gz PBFDEYGVWMNHMB-SECBINFHSA-N 0 1 237.303 2.379 20 0 BEADMN CCc1cc(C)c(C(=O)O[C@H](C)c2nnc[nH]2)o1 ZINC000853220740 588726346 /nfs/dbraw/zinc/72/63/46/588726346.db2.gz NSFQZASPOVXRCK-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCC(CC)[C@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222145 588726439 /nfs/dbraw/zinc/72/64/39/588726439.db2.gz GCSQVUKMTXGJHE-IUCAKERBSA-N 0 1 239.319 2.481 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1nnc[nH]1 ZINC000853222392 588726478 /nfs/dbraw/zinc/72/64/78/588726478.db2.gz LMWFJCIWHLZARD-DTWKUNHWSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)[C@@]1(C)CCC[C@H]1C)c1nnc[nH]1 ZINC000853224455 588726824 /nfs/dbraw/zinc/72/68/24/588726824.db2.gz GOAVGYJQVCOHTF-PTRXPTGYSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CCCC1(C)C)c1nnc[nH]1 ZINC000853223843 588726907 /nfs/dbraw/zinc/72/69/07/588726907.db2.gz AOHMGTZNTFWYGK-BDAKNGLRSA-N 0 1 237.303 2.235 20 0 BEADMN CCCC[C@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224772 588726911 /nfs/dbraw/zinc/72/69/11/588726911.db2.gz YSCKZRNTVIFDTL-IUCAKERBSA-N 0 1 225.292 2.235 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224411 588726915 /nfs/dbraw/zinc/72/69/15/588726915.db2.gz FTEYDPNUHCBWDM-IVZWLZJFSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)c1[nH]ccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224285 588727080 /nfs/dbraw/zinc/72/70/80/588727080.db2.gz DXFVAAQILXLDQS-QMMMGPOBSA-N 0 1 248.286 2.174 20 0 BEADMN C[C@@H](OC(=O)C1(C2CCC2)CCC1)c1nnc[nH]1 ZINC000853224049 588727107 /nfs/dbraw/zinc/72/71/07/588727107.db2.gz BHAQOPZFJCHCSW-SECBINFHSA-N 0 1 249.314 2.379 20 0 BEADMN CC(C)c1occc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853223789 588727109 /nfs/dbraw/zinc/72/71/09/588727109.db2.gz QISHIQRFHZLHIX-QMMMGPOBSA-N 0 1 249.270 2.439 20 0 BEADMN C[C@H](OC(=O)[C@H]1CCCC[C@H]1C)c1nnc[nH]1 ZINC000853225951 588727379 /nfs/dbraw/zinc/72/73/79/588727379.db2.gz TUJZIKRCYMCHSS-UTLUCORTSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)C(C)(C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225088 588727412 /nfs/dbraw/zinc/72/74/12/588727412.db2.gz KSJREJHNMVALOH-QMMMGPOBSA-N 0 1 225.292 2.091 20 0 BEADMN CCCC[C@](C)(F)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853227742 588727578 /nfs/dbraw/zinc/72/75/78/588727578.db2.gz SSYPRTOUIDZYGO-KCJUWKMLSA-N 0 1 243.282 2.327 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)CC1)c1nnc[nH]1 ZINC000853228158 588727703 /nfs/dbraw/zinc/72/77/03/588727703.db2.gz XQJAHTXOSINELN-OPRDCNLKSA-N 0 1 237.303 2.235 20 0 BEADMN CC(C)C[C@H](C)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853226366 588727708 /nfs/dbraw/zinc/72/77/08/588727708.db2.gz WBBGLPIGIYTHAP-DTWKUNHWSA-N 0 1 225.292 2.091 20 0 BEADMN C[C@@H](OC(=O)C1CCC2(CC2)CC1)c1nnc[nH]1 ZINC000853227758 588727811 /nfs/dbraw/zinc/72/78/11/588727811.db2.gz SXJJXWHCTRGTAG-SECBINFHSA-N 0 1 249.314 2.379 20 0 BEADMN CC(=Cc1ccco1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227483 588727825 /nfs/dbraw/zinc/72/78/25/588727825.db2.gz PWSAKSLKDKQHSA-ORZBULNSSA-N 0 1 247.254 2.105 20 0 BEADMN CCc1noc(C)c1[C@@H](C)NCCOCCF ZINC000853238837 588728361 /nfs/dbraw/zinc/72/83/61/588728361.db2.gz SMHRNQQNXOCLML-SECBINFHSA-N 0 1 244.310 2.182 20 0 BEADMN CC(C)[C@@H]1CCN(CN2CCC(C)CC2)C1=O ZINC000853487948 588745510 /nfs/dbraw/zinc/74/55/10/588745510.db2.gz NKLZSRLWQQSBOC-ZDUSSCGKSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1CC[C@H](C(C)C)C1=O ZINC000853494162 588745775 /nfs/dbraw/zinc/74/57/75/588745775.db2.gz KUKGLYCHEXFKJC-QWHCGFSZSA-N 0 1 240.391 2.426 20 0 BEADMN CCCN(CC)CN1CC[C@H](C(C)C)C1=O ZINC000853493112 588745859 /nfs/dbraw/zinc/74/58/59/588745859.db2.gz JRKSSYUMWZKRLS-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN O=C1CC2(CCCC2)CN1CN1CC[C@@H]2C[C@@H]2C1 ZINC000853575488 588749433 /nfs/dbraw/zinc/74/94/33/588749433.db2.gz GMHQBNBADGICCP-CHWSQXEVSA-N 0 1 248.370 2.078 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1C(=O)CCC1(C)C ZINC000853628372 588751220 /nfs/dbraw/zinc/75/12/20/588751220.db2.gz TYADGRBCNBYDLI-NSHDSACASA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)[C@H]1CCN(CN(C)CC(C)(C)C)C1=O ZINC000853496351 588746336 /nfs/dbraw/zinc/74/63/36/588746336.db2.gz FWMCSZVWTBTNTH-GFCCVEGCSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)C(N)=NOCc1cc(C2CC2)no1 ZINC000853685168 588755902 /nfs/dbraw/zinc/75/59/02/588755902.db2.gz RNGNGUYPKXQOBM-UHFFFAOYSA-N 0 1 223.276 2.206 20 0 BEADMN Nc1nc2c(c(N[C@@H]3C=CCC3)n1)CCCC2 ZINC000853798640 588763935 /nfs/dbraw/zinc/76/39/35/588763935.db2.gz RCGYFEYGKFSOOL-SECBINFHSA-N 0 1 230.315 2.068 20 0 BEADMN Cc1cc(NC(=O)[C@H]2CCCCN2C)ccc1N ZINC000854009789 588771378 /nfs/dbraw/zinc/77/13/78/588771378.db2.gz GAHNYDAWMRONPV-CYBMUJFWSA-N 0 1 247.342 2.000 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccc(C)nc2)no1 ZINC000854137186 588776535 /nfs/dbraw/zinc/77/65/35/588776535.db2.gz PNIHEYLQJNWZIS-JTQLQIEISA-N 0 1 232.287 2.111 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccc(C)o2)no1 ZINC000854149855 588777201 /nfs/dbraw/zinc/77/72/01/588777201.db2.gz SEIHJEBCVOXGDU-MRVPVSSYSA-N 0 1 221.260 2.309 20 0 BEADMN O=C(NOc1ccccc1)[C@H]1CC12CCC2 ZINC000854537192 588791568 /nfs/dbraw/zinc/79/15/68/588791568.db2.gz PRMZGAGXUYOSAA-LLVKDONJSA-N 0 1 217.268 2.287 20 0 BEADMN O=C(NOCC1CC1)[C@H]1CCc2cc(F)ccc21 ZINC000854640116 588799054 /nfs/dbraw/zinc/79/90/54/588799054.db2.gz LKGQCWFNDJTXKA-ZDUSSCGKSA-N 0 1 249.285 2.313 20 0 BEADMN CC(C)ONC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000854754331 588805785 /nfs/dbraw/zinc/80/57/85/588805785.db2.gz NQIOGRAZPOCMOP-LBPRGKRZSA-N 0 1 237.274 2.312 20 0 BEADMN C[C@@H]1CC/C(=C/C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000855134169 588822768 /nfs/dbraw/zinc/82/27/68/588822768.db2.gz HNVSSYNUZTYHTG-CHPNCVJKSA-N 0 1 233.315 2.115 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C=C(C1CC1)C1CC1 ZINC000855134750 588822906 /nfs/dbraw/zinc/82/29/06/588822906.db2.gz ZAPPIRVAEILYIV-UHFFFAOYSA-N 0 1 245.326 2.115 20 0 BEADMN Cc1ccc([C@@H](C)C(=O)N(C)Cc2cnc[nH]2)o1 ZINC000855134399 588822983 /nfs/dbraw/zinc/82/29/83/588822983.db2.gz MWTYITICOWKJQE-SNVBAGLBSA-N 0 1 247.298 2.073 20 0 BEADMN C/C(=C\C(C)(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135996 588823023 /nfs/dbraw/zinc/82/30/23/588823023.db2.gz KSJMASGOHAQORL-UXBLZVDNSA-N 0 1 235.331 2.361 20 0 BEADMN CC(C)CCOC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000859092674 582481798 /nfs/dbraw/zinc/48/17/98/582481798.db2.gz SCNVNGSGCUMILS-NWDGAFQWSA-N 0 1 242.363 2.194 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)nc1)N(C)C ZINC000890792711 582566814 /nfs/dbraw/zinc/56/68/14/582566814.db2.gz RSXSTKGLRVHSJZ-JTQLQIEISA-N 0 1 249.358 2.268 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3C=CCC3)c2[nH]1 ZINC000855433631 588835947 /nfs/dbraw/zinc/83/59/47/588835947.db2.gz UFKBIHVSPOFSGX-SNVBAGLBSA-N 0 1 241.294 2.320 20 0 BEADMN Cc1nc2cc(N[C@H](C)CCO)ccc2n1C ZINC000779421601 582670245 /nfs/dbraw/zinc/67/02/45/582670245.db2.gz JFRQHRGLOBRRRE-SECBINFHSA-N 0 1 233.315 2.065 20 0 BEADMN CC(C)Cc1ccc(CN(CCO)C2CC2)cn1 ZINC000891619341 582702686 /nfs/dbraw/zinc/70/26/86/582702686.db2.gz MKYDDDJRLAUOQO-UHFFFAOYSA-N 0 1 248.370 2.237 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@@H](C)C2CC2)c(C)n1 ZINC000891643199 582705308 /nfs/dbraw/zinc/70/53/08/582705308.db2.gz IUDSLTCNMODLDC-NSHDSACASA-N 0 1 221.348 2.442 20 0 BEADMN CO[C@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000891693336 582710732 /nfs/dbraw/zinc/71/07/32/582710732.db2.gz ZENJWUBAMXFWQP-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN COC1CCC(C[N@H+]2CCOCC2(C)C)CC1 ZINC000891777561 582719014 /nfs/dbraw/zinc/71/90/14/582719014.db2.gz GENJJUPVJCRUGL-UHFFFAOYSA-N 0 1 241.375 2.302 20 0 BEADMN CN(Cc1cccc(F)c1F)C[C@H](O)C1CC1 ZINC000304796917 582798265 /nfs/dbraw/zinc/79/82/65/582798265.db2.gz WJWVLBYAKIQMCK-LBPRGKRZSA-N 0 1 241.281 2.168 20 0 BEADMN c1[nH]nc2cc(NC[C@H]3CCCOC3)ccc12 ZINC000111319786 582816617 /nfs/dbraw/zinc/81/66/17/582816617.db2.gz SQDQXHCJCFZTDT-SNVBAGLBSA-N 0 1 231.299 2.401 20 0 BEADMN Clc1cnc(N[C@@H]2CCN(C3CC3)C2)s1 ZINC000393615730 582824033 /nfs/dbraw/zinc/82/40/33/582824033.db2.gz PPTJQKAZHVRCIH-SSDOTTSWSA-N 0 1 243.763 2.445 20 0 BEADMN COc1ccc(CNC[C@@H](O)c2ccccc2)o1 ZINC000892435860 582886901 /nfs/dbraw/zinc/88/69/01/582886901.db2.gz UCZPQRQDAVBPBR-CYBMUJFWSA-N 0 1 247.294 2.111 20 0 BEADMN CCN(CC(=O)N(C)c1ccsc1)C1CC1 ZINC000892553428 582912139 /nfs/dbraw/zinc/91/21/39/582912139.db2.gz MUPXZRGUZQDAEH-UHFFFAOYSA-N 0 1 238.356 2.195 20 0 BEADMN Cc1cc(N)nc(N2Cc3ccccc3[C@@H]2C)n1 ZINC000892769566 582978361 /nfs/dbraw/zinc/97/83/61/582978361.db2.gz BJIRIIJWYKYWHL-JTQLQIEISA-N 0 1 240.310 2.448 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)OCc1c[nH]nn1 ZINC000892994257 583026820 /nfs/dbraw/zinc/02/68/20/583026820.db2.gz CGWJZYZPRGRCAU-SKDRFNHKSA-N 0 1 237.303 2.064 20 0 BEADMN C[C@@H](OC(=O)C[C@@H]1CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219044 583030081 /nfs/dbraw/zinc/03/00/81/583030081.db2.gz CNBVFDSNISJGAQ-OPRDCNLKSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@H](OC(=O)C[C@H]1CC[C@@H](C)C1)c1nnc[nH]1 ZINC000853219047 583030186 /nfs/dbraw/zinc/03/01/86/583030186.db2.gz CNBVFDSNISJGAQ-UTLUCORTSA-N 0 1 237.303 2.235 20 0 BEADMN C[C@@H](OC(=O)CC1=CCCCC1)c1nnc[nH]1 ZINC000853220260 583031784 /nfs/dbraw/zinc/03/17/84/583031784.db2.gz NAUCCJUXQJRSLM-SECBINFHSA-N 0 1 235.287 2.299 20 0 BEADMN COc1ccccc1C[C@H](C)NCc1cocn1 ZINC000395143030 583044332 /nfs/dbraw/zinc/04/43/32/583044332.db2.gz INVXAYXCCPDYKM-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN COc1ccc(C[NH2+][C@H](C)Cc2cc(C)[nH]n2)o1 ZINC000893113833 583051393 /nfs/dbraw/zinc/05/13/93/583051393.db2.gz QJYHPQZNWZBGPD-SECBINFHSA-N 0 1 249.314 2.041 20 0 BEADMN COCC1(NCc2cc(O)cc(Cl)c2)CC1 ZINC000893167921 583062649 /nfs/dbraw/zinc/06/26/49/583062649.db2.gz PLQAKYXLZZGZSQ-UHFFFAOYSA-N 0 1 241.718 2.314 20 0 BEADMN COc1ccc(C[C@@H](C)NCc2cocn2)cc1 ZINC000397930896 583113357 /nfs/dbraw/zinc/11/33/57/583113357.db2.gz PTIVSGOZKUCHER-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN Cn1cc(CN[C@@H]2CC23CCCC3)c(Cl)n1 ZINC000856781407 588877362 /nfs/dbraw/zinc/87/73/62/588877362.db2.gz SWOVNEAOAONCEL-SNVBAGLBSA-N 0 1 239.750 2.496 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1CC12CCC2)N(C)C ZINC000893468984 583149359 /nfs/dbraw/zinc/14/93/59/583149359.db2.gz MNFQCTZIKSUJRE-NEPJUHHUSA-N 0 1 239.359 2.306 20 0 BEADMN O=C1CC(F)(F)CN1CN1CCCCCCC1 ZINC000841673992 583177153 /nfs/dbraw/zinc/17/71/53/583177153.db2.gz MEWKKCNTRBFSMS-UHFFFAOYSA-N 0 1 246.301 2.078 20 0 BEADMN Cn1cc(CN2CC[C@@H](C3CC3)C2)c(Cl)n1 ZINC000857023242 588882005 /nfs/dbraw/zinc/88/20/05/588882005.db2.gz PGDVZACSVNGYST-SNVBAGLBSA-N 0 1 239.750 2.305 20 0 BEADMN CC[C@@H]1CCCN1Cc1cn(C)nc1Cl ZINC000857013063 588882288 /nfs/dbraw/zinc/88/22/88/588882288.db2.gz DKPCGBURZZGLFM-SNVBAGLBSA-N 0 1 227.739 2.448 20 0 BEADMN CCCC[C@H](C(=O)OCc1c[nH]nn1)C(C)C ZINC000857026506 588883040 /nfs/dbraw/zinc/88/30/40/588883040.db2.gz IBPVSDFVWSHOQH-NSHDSACASA-N 0 1 239.319 2.310 20 0 BEADMN Cc1n[nH]c(CN2C[C@@H](C)S[C@H](C)C2)c1C ZINC000893978099 583266388 /nfs/dbraw/zinc/26/63/88/583266388.db2.gz PIGDIEIYHUPCCJ-RKDXNWHRSA-N 0 1 239.388 2.352 20 0 BEADMN Cc1ncoc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000893978945 583266422 /nfs/dbraw/zinc/26/64/22/583266422.db2.gz ZCXVKMAINZLKAM-IUCAKERBSA-N 0 1 226.345 2.309 20 0 BEADMN COc1ccc(C[N@H+]2CCSC[C@@H](C)C2)o1 ZINC000894007484 583270020 /nfs/dbraw/zinc/27/00/20/583270020.db2.gz FCRMQXXDCVQIGA-JTQLQIEISA-N 0 1 241.356 2.473 20 0 BEADMN Cc1n[nH]c(CN2CCS[C@@H](C)[C@H]2C)c1C ZINC000894033452 583277500 /nfs/dbraw/zinc/27/75/00/583277500.db2.gz DNXGEGDSARANLM-MNOVXSKESA-N 0 1 239.388 2.352 20 0 BEADMN COc1ccc(CN2CCC23CCOCC3)o1 ZINC000894048618 583287816 /nfs/dbraw/zinc/28/78/16/583287816.db2.gz NCVVNFVSLCOOBZ-UHFFFAOYSA-N 0 1 237.299 2.043 20 0 BEADMN Cn1cc(CNC2CC(F)(F)C2)c(C2CC2)n1 ZINC000894037171 583289497 /nfs/dbraw/zinc/28/94/97/583289497.db2.gz YOHCXKFSZSTWKA-UHFFFAOYSA-N 0 1 241.285 2.185 20 0 BEADMN CC1=C(C)C[N@@H+](Cc2c3c(nn2C)CCC3)CC1 ZINC000894192935 583334016 /nfs/dbraw/zinc/33/40/16/583334016.db2.gz AAALCKCCXQKDBF-UHFFFAOYSA-N 0 1 245.370 2.451 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cncc(C(C)C)c1 ZINC000888242352 583335417 /nfs/dbraw/zinc/33/54/17/583335417.db2.gz FQXCMWXNUZSPHL-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1ncoc1CNCCOC1CCCC1 ZINC000894207235 583352325 /nfs/dbraw/zinc/35/23/25/583352325.db2.gz UTIFOJQTUPXFDE-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN C=C/C=C/CCN[C@H](C)c1nc(C)no1 ZINC000878418276 583373790 /nfs/dbraw/zinc/37/37/90/583373790.db2.gz XBPHRIHJJRMBOH-VUHVRTRXSA-N 0 1 207.277 2.161 20 0 BEADMN Cc1ncoc1CNC[C@H](O)c1ccccc1C ZINC000894251312 583392283 /nfs/dbraw/zinc/39/22/83/583392283.db2.gz PGRWWYNJIMOCDG-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1ncoc1CNC[C@@H](O)c1ccccc1C ZINC000894251311 583392450 /nfs/dbraw/zinc/39/24/50/583392450.db2.gz PGRWWYNJIMOCDG-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1ccc([C@H]2CCCN2CN2CCC2=O)cc1 ZINC000857229102 588896582 /nfs/dbraw/zinc/89/65/82/588896582.db2.gz JHPJKXHQPKMWOY-CQSZACIVSA-N 0 1 244.338 2.322 20 0 BEADMN O=C1CCN1CN1CCC2(CCCCC2)CC1 ZINC000857232094 588897396 /nfs/dbraw/zinc/89/73/96/588897396.db2.gz LBQRKIXESOQSIM-UHFFFAOYSA-N 0 1 236.359 2.223 20 0 BEADMN Cc1ccccc1[C@H]1CCCN1CN1CCC1=O ZINC000857231962 588897530 /nfs/dbraw/zinc/89/75/30/588897530.db2.gz WAEGAMIDQAJDHQ-CQSZACIVSA-N 0 1 244.338 2.322 20 0 BEADMN CCN(CN1C[C@@H](C(C)C)CC1=O)C1CCC1 ZINC000738057402 583421458 /nfs/dbraw/zinc/42/14/58/583421458.db2.gz QXPOAEAGYKITFZ-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN Cc1ncoc1CNC[C@@H](O)c1cccc(C)c1 ZINC000894337651 583427430 /nfs/dbraw/zinc/42/74/30/583427430.db2.gz VWAMDEIMFPZAGK-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN CC(C)CCn1ccc(NCc2cnc[nH]2)n1 ZINC000894353158 583433436 /nfs/dbraw/zinc/43/34/36/583433436.db2.gz ZUDYNEIFWLVYDX-UHFFFAOYSA-N 0 1 233.319 2.264 20 0 BEADMN CC(C)COc1ccc(NCc2cnc[nH]2)cn1 ZINC000894359578 583436295 /nfs/dbraw/zinc/43/62/95/583436295.db2.gz OUAJJHXQYAFAHM-UHFFFAOYSA-N 0 1 246.314 2.452 20 0 BEADMN Cc1nonc1CNCCc1ccc(C)c(C)c1 ZINC000894463705 583465430 /nfs/dbraw/zinc/46/54/30/583465430.db2.gz IGIGMFJMXKKZDO-UHFFFAOYSA-N 0 1 245.326 2.327 20 0 BEADMN CCCSC[C@@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000894468269 583468176 /nfs/dbraw/zinc/46/81/76/583468176.db2.gz UQVWDMIHNMNZMD-BDAKNGLRSA-N 0 1 242.392 2.295 20 0 BEADMN Cc1coc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000894486840 583471905 /nfs/dbraw/zinc/47/19/05/583471905.db2.gz DTEHTJSZFFDDIP-RYUDHWBXSA-N 0 1 222.332 2.112 20 0 BEADMN C[C@@H](C1CC1)n1cc(NCc2cnc[nH]2)cn1 ZINC000894496719 583473792 /nfs/dbraw/zinc/47/37/92/583473792.db2.gz VRGPZQINIRKXRR-VIFPVBQESA-N 0 1 231.303 2.189 20 0 BEADMN CSc1ccc(CN2CC[C@@H](O)[C@H](C)C2)o1 ZINC000894496817 583473985 /nfs/dbraw/zinc/47/39/85/583473985.db2.gz FTELHXWPVYUHKA-MWLCHTKSSA-N 0 1 241.356 2.204 20 0 BEADMN CCn1ccc(CN(C)Cc2n[nH]c(C)c2C)c1 ZINC000894543209 583481790 /nfs/dbraw/zinc/48/17/90/583481790.db2.gz OCOXAZBFWFYRNR-UHFFFAOYSA-N 0 1 246.358 2.480 20 0 BEADMN Cc1cc(F)ncc1CN1CC(C2CC2)C1 ZINC000894567248 583484772 /nfs/dbraw/zinc/48/47/72/583484772.db2.gz VNMCLNFMGFCJHW-UHFFFAOYSA-N 0 1 220.291 2.371 20 0 BEADMN CC[C@H]1C[C@@H](CN(C)Cc2ncc[nH]2)CCO1 ZINC000894586298 583489324 /nfs/dbraw/zinc/48/93/24/583489324.db2.gz MVBMMFNPHPPRNP-RYUDHWBXSA-N 0 1 237.347 2.047 20 0 BEADMN CO[C@]1(C)CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894597043 583492863 /nfs/dbraw/zinc/49/28/63/583492863.db2.gz IMGDHQSMGWFIRE-CYBMUJFWSA-N 0 1 237.347 2.027 20 0 BEADMN CSc1ccc(CN2C[C@@H](O)C(C)(C)C2)o1 ZINC000894597292 583493345 /nfs/dbraw/zinc/49/33/45/583493345.db2.gz XKGRPZXAVUUPKP-SNVBAGLBSA-N 0 1 241.356 2.204 20 0 BEADMN COC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000894612363 583494285 /nfs/dbraw/zinc/49/42/85/583494285.db2.gz GUIYCPUBWZDJOK-AWEZNQCLSA-N 0 1 247.338 2.232 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc2c(c1)CCCO2 ZINC000894612363 583494288 /nfs/dbraw/zinc/49/42/88/583494288.db2.gz GUIYCPUBWZDJOK-AWEZNQCLSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@@H]1CN(Cc2cn3ccnc3s2)[C@H]1C ZINC000894627817 583495606 /nfs/dbraw/zinc/49/56/06/583495606.db2.gz KXEGDAFJBUKGGA-BDAKNGLRSA-N 0 1 221.329 2.236 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cn2ccnc2s1 ZINC000894627818 583495695 /nfs/dbraw/zinc/49/56/95/583495695.db2.gz KXEGDAFJBUKGGA-DTWKUNHWSA-N 0 1 221.329 2.236 20 0 BEADMN FCC(CF)NC1C[C@@H]2CCC[C@H]2C1 ZINC000894668747 583503575 /nfs/dbraw/zinc/50/35/75/583503575.db2.gz WFOZKZMAZNREOD-IUCAKERBSA-N 0 1 203.276 2.462 20 0 BEADMN CCC1CN(Cc2ccnn2C2CCC2)C1 ZINC000894812590 583523573 /nfs/dbraw/zinc/52/35/73/583523573.db2.gz DDMJISOJRVFLDY-UHFFFAOYSA-N 0 1 219.332 2.450 20 0 BEADMN Cc1noc2ncc(CN3CC(C4CC4)C3)cc12 ZINC000894812632 583523730 /nfs/dbraw/zinc/52/37/30/583523730.db2.gz ILJHDUWSFSVGNB-UHFFFAOYSA-N 0 1 243.310 2.373 20 0 BEADMN Cc1coc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000894816857 583525668 /nfs/dbraw/zinc/52/56/68/583525668.db2.gz WYZNWLDCFTUFEY-LBPRGKRZSA-N 0 1 231.299 2.232 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1c2c(nn1C)CCCC2 ZINC000894861169 583534481 /nfs/dbraw/zinc/53/44/81/583534481.db2.gz AEVILLNAIKKWNT-WDEREUQCSA-N 0 1 233.359 2.139 20 0 BEADMN Cc1c(CN2C[C@@H](C)[C@@H]2C)ccnc1F ZINC000894862215 583535602 /nfs/dbraw/zinc/53/56/02/583535602.db2.gz UJAANQFLNJDYIA-SCZZXKLOSA-N 0 1 208.280 2.369 20 0 BEADMN C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)[C@@H]1C ZINC000894861485 583536085 /nfs/dbraw/zinc/53/60/85/583536085.db2.gz ILDZZCZPMSSGAL-RKDXNWHRSA-N 0 1 233.267 2.226 20 0 BEADMN C[C@@H]1CN(Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000894861320 583536289 /nfs/dbraw/zinc/53/62/89/583536289.db2.gz DUPVJLOYYUPLII-ZJUUUORDSA-N 0 1 217.316 2.194 20 0 BEADMN COC(=O)/C=C/c1ccc(CN2C[C@H](C)[C@@H]2C)o1 ZINC000894862234 583536405 /nfs/dbraw/zinc/53/64/05/583536405.db2.gz VEWGTEQCYGWXOB-JYLGIWJRSA-N 0 1 249.310 2.306 20 0 BEADMN CC[C@@H]1CN(C)CCN1Cc1cc(C)co1 ZINC000894865476 583536936 /nfs/dbraw/zinc/53/69/36/583536936.db2.gz VATVUUWMKVIIBN-GFCCVEGCSA-N 0 1 222.332 2.114 20 0 BEADMN FCCOc1ccccc1NCc1cnc[nH]1 ZINC000894871748 583540375 /nfs/dbraw/zinc/54/03/75/583540375.db2.gz BHSYHJDOIUUTHT-UHFFFAOYSA-N 0 1 235.262 2.370 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1Cc2ccccc2[C@@H](C)C1 ZINC000726955929 583550896 /nfs/dbraw/zinc/55/08/96/583550896.db2.gz XBWONEKSQFXQKN-RYUDHWBXSA-N 0 1 246.354 2.082 20 0 BEADMN Cc1ncoc1CN1CCSC[C@H]1C1CC1 ZINC000894903630 583553203 /nfs/dbraw/zinc/55/32/03/583553203.db2.gz AILPNLPKNGAIPX-NSHDSACASA-N 0 1 238.356 2.310 20 0 BEADMN Cc1nc(COC(=O)c2occc2C(C)C)n[nH]1 ZINC000793175706 583574413 /nfs/dbraw/zinc/57/44/13/583574413.db2.gz DUHQDAUXFARHRG-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN FC(F)(F)CCN[C@H]1CCCc2c[nH]nc21 ZINC000857856272 588913549 /nfs/dbraw/zinc/91/35/49/588913549.db2.gz HYBGBUFHHPBXBV-QMMMGPOBSA-N 0 1 233.237 2.329 20 0 BEADMN CC(C)(C)OCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857859566 588914476 /nfs/dbraw/zinc/91/44/76/588914476.db2.gz GPVNCUNWFCBZJL-LLVKDONJSA-N 0 1 237.347 2.192 20 0 BEADMN Cc1ncoc1CN1CC[C@]2(CC2(F)F)C1 ZINC000895149945 583606011 /nfs/dbraw/zinc/60/60/11/583606011.db2.gz UYAZEPNAVCNZSJ-JTQLQIEISA-N 0 1 228.242 2.214 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000882489113 583618108 /nfs/dbraw/zinc/61/81/08/583618108.db2.gz LYXXZTBHRAAVFX-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCC[N@@H+](Cc1cnc2n1CCOC2)C(C)C ZINC000895205739 583625366 /nfs/dbraw/zinc/62/53/66/583625366.db2.gz UBVYFTSEFVBWCI-UHFFFAOYSA-N 0 1 237.347 2.034 20 0 BEADMN CN(C)CC(=O)N(C)C1CCCCCCC1 ZINC000727309261 583629979 /nfs/dbraw/zinc/62/99/79/583629979.db2.gz GJMVJMZWDPUOIJ-UHFFFAOYSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCC[C@H](C)O1 ZINC000895274885 583635304 /nfs/dbraw/zinc/63/53/04/583635304.db2.gz PBVNWCSQOMIHQV-GXSJLCMTSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1cc(CNC[C@H]2CC(C)=NO2)cs1 ZINC000895299239 583640634 /nfs/dbraw/zinc/64/06/34/583640634.db2.gz AKPPUVYEFYHWDP-LLVKDONJSA-N 0 1 224.329 2.311 20 0 BEADMN CC1=NO[C@H](CNCc2ccccc2F)C1 ZINC000895310087 583647131 /nfs/dbraw/zinc/64/71/31/583647131.db2.gz GJSXARURYYKBQD-NSHDSACASA-N 0 1 222.263 2.080 20 0 BEADMN Cc1ccnc(N[C@H](C)CCO)c1C1CC1 ZINC000895347936 583655451 /nfs/dbraw/zinc/65/54/51/583655451.db2.gz WGLUFFQWJOREPQ-SNVBAGLBSA-N 0 1 220.316 2.450 20 0 BEADMN Cc1[nH]nc(CN2CC(Cc3ccco3)C2)c1C ZINC000895393207 583664820 /nfs/dbraw/zinc/66/48/20/583664820.db2.gz IEPALDVFQUXABR-UHFFFAOYSA-N 0 1 245.326 2.294 20 0 BEADMN Cc1ncoc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000895403739 583667029 /nfs/dbraw/zinc/66/70/29/583667029.db2.gz VKYAOVZDNIOWQF-CYBMUJFWSA-N 0 1 249.358 2.090 20 0 BEADMN C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1nnc(C2CC2)s1 ZINC000895433308 583672119 /nfs/dbraw/zinc/67/21/19/583672119.db2.gz IRKFPRGBYBXJND-DOFRTFSJSA-N 0 1 235.356 2.304 20 0 BEADMN COc1ccc(CNCC2=CCCC2)o1 ZINC000895436246 583674625 /nfs/dbraw/zinc/67/46/25/583674625.db2.gz NRPPOXAYSFICCX-UHFFFAOYSA-N 0 1 207.273 2.488 20 0 BEADMN CN(C)c1ccc(NCc2cnc[nH]2)cc1F ZINC000895466669 583678508 /nfs/dbraw/zinc/67/85/08/583678508.db2.gz YWEGLHSQMZDGFQ-UHFFFAOYSA-N 0 1 234.278 2.227 20 0 BEADMN Cc1ncoc1CNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000895475615 583679880 /nfs/dbraw/zinc/67/98/80/583679880.db2.gz YRMWMMWMNAGSRH-GRYCIOLGSA-N 0 1 236.315 2.030 20 0 BEADMN CCc1ncc(CN2CCC[C@H](CF)C2)cn1 ZINC000895543435 583688809 /nfs/dbraw/zinc/68/88/09/583688809.db2.gz BEJDRKPPZIMTPG-LLVKDONJSA-N 0 1 237.322 2.221 20 0 BEADMN CCn1cncc1CN1CCC[C@@H](CF)C1 ZINC000895545675 583689818 /nfs/dbraw/zinc/68/98/18/583689818.db2.gz VBVJGYXAIIZSMY-NSHDSACASA-N 0 1 225.311 2.085 20 0 BEADMN FC[C@H]1CCN(Cc2nc3c(s2)CCC3)C1 ZINC000895574651 583693187 /nfs/dbraw/zinc/69/31/87/583693187.db2.gz XTFHJNSVONLPJD-SECBINFHSA-N 0 1 240.347 2.423 20 0 BEADMN C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895606067 583696907 /nfs/dbraw/zinc/69/69/07/583696907.db2.gz WFYDBPRZHOBXRH-CMPLNLGQSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1cc(NCc2cnc[nH]2)cnc1C ZINC000895645017 583700430 /nfs/dbraw/zinc/70/04/30/583700430.db2.gz KDUWQMQOYGGAHT-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN Cc1c[nH]c(CN2CCC3(CCCCO3)CC2)n1 ZINC000895656135 583701606 /nfs/dbraw/zinc/70/16/06/583701606.db2.gz NSASYBDUNJMYQJ-UHFFFAOYSA-N 0 1 249.358 2.253 20 0 BEADMN CC(C)(C)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000895705661 583710414 /nfs/dbraw/zinc/71/04/14/583710414.db2.gz AILXSCHTZNGWEA-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CO[C@@H](CNCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883131142 583712403 /nfs/dbraw/zinc/71/24/03/583712403.db2.gz JJUNMUCXGMVKNG-LBPRGKRZSA-N 0 1 237.347 2.048 20 0 BEADMN C[C@@H]1[C@@H](Nc2ccnc(C(C)(C)C)n2)CC[N@H+]1C ZINC000895737137 583717989 /nfs/dbraw/zinc/71/79/89/583717989.db2.gz RSJDJLXAWIAKQK-MNOVXSKESA-N 0 1 248.374 2.279 20 0 BEADMN C[C@H]1[C@H](Nc2ccnc(C(C)(C)C)n2)CC[N@H+]1C ZINC000895737139 583718106 /nfs/dbraw/zinc/71/81/06/583718106.db2.gz RSJDJLXAWIAKQK-WDEREUQCSA-N 0 1 248.374 2.279 20 0 BEADMN CN1CC[C@@H]1CNc1nc2cccc(F)c2o1 ZINC000895766067 583719078 /nfs/dbraw/zinc/71/90/78/583719078.db2.gz ABFDWVBPOZSMMN-MRVPVSSYSA-N 0 1 235.262 2.083 20 0 BEADMN C[C@H](N[C@H]1CCS[C@H]1C)c1ncco1 ZINC000895766304 583719115 /nfs/dbraw/zinc/71/91/15/583719115.db2.gz RKXYVBOASWQCHN-CIUDSAMLSA-N 0 1 212.318 2.219 20 0 BEADMN CSCc1ccc(CNC2(C)COC2)cc1 ZINC000895753869 583719716 /nfs/dbraw/zinc/71/97/16/583719716.db2.gz KBVZKRKJJGEUCD-UHFFFAOYSA-N 0 1 237.368 2.428 20 0 BEADMN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ncco1 ZINC000895764499 583722778 /nfs/dbraw/zinc/72/27/78/583722778.db2.gz HNWGNRLMCUNVFK-XHNCKOQMSA-N 0 1 212.318 2.077 20 0 BEADMN CN1CC[C@@H]1CNc1cc2c(F)cccc2cn1 ZINC000895767551 583723012 /nfs/dbraw/zinc/72/30/12/583723012.db2.gz NIRBYAZTMDKVGS-LLVKDONJSA-N 0 1 245.301 2.490 20 0 BEADMN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ncco2)C1(C)C ZINC000895767154 583723310 /nfs/dbraw/zinc/72/33/10/583723310.db2.gz WJGRDTUWIAYXDC-LMLFDSFASA-N 0 1 238.331 2.385 20 0 BEADMN CN(CCCF)Cc1cc2c(cc[nH]c2=O)o1 ZINC000895896444 583743836 /nfs/dbraw/zinc/74/38/36/583743836.db2.gz VAIRQLAGERMTAH-UHFFFAOYSA-N 0 1 238.262 2.325 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(F)nc2)C1 ZINC000895926004 583747819 /nfs/dbraw/zinc/74/78/19/583747819.db2.gz ASZYXZDAVVEJTJ-ZYHUDNBSSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2[nH]nc(C)c2C)C1 ZINC000895927654 583748700 /nfs/dbraw/zinc/74/87/00/583748700.db2.gz OJCVYCJGTHCDLX-SKDRFNHKSA-N 0 1 237.347 2.026 20 0 BEADMN CC[C@@H](C)[C@@H](CN1CC(OC(C)C)C1)OC ZINC000895954835 583752085 /nfs/dbraw/zinc/75/20/85/583752085.db2.gz IVDAYVULTUKDDA-DGCLKSJQSA-N 0 1 229.364 2.157 20 0 BEADMN COCC1CN(Cc2nccc3c2CCCC3)C1 ZINC000895975531 583753299 /nfs/dbraw/zinc/75/32/99/583753299.db2.gz AEMRKMZNEZPBRA-UHFFFAOYSA-N 0 1 246.354 2.039 20 0 BEADMN CO[C@H]1CN(C[C@@H](C)Cc2ccccc2)CCO1 ZINC000895968221 583754455 /nfs/dbraw/zinc/75/44/55/583754455.db2.gz KDIADIOPEWHEJH-DZGCQCFKSA-N 0 1 249.354 2.170 20 0 BEADMN COCC1CN(Cc2cc(F)ccc2C)C1 ZINC000895971169 583756187 /nfs/dbraw/zinc/75/61/87/583756187.db2.gz MEEFAJOFHRQOJN-UHFFFAOYSA-N 0 1 223.291 2.212 20 0 BEADMN COCC1CN(Cc2cnc3ccccc3c2)C1 ZINC000895970667 583756340 /nfs/dbraw/zinc/75/63/40/583756340.db2.gz HIEBBYOPORUPMR-UHFFFAOYSA-N 0 1 242.322 2.313 20 0 BEADMN CCC/C(C)=C/C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000727742268 583759905 /nfs/dbraw/zinc/75/99/05/583759905.db2.gz GYALFIHDQSRCLL-ZKQHCESOSA-N 0 1 238.375 2.332 20 0 BEADMN CCn1cc(CN2CCC(F)CC2)c(C)n1 ZINC000895999141 583760312 /nfs/dbraw/zinc/76/03/12/583760312.db2.gz FTVSUANVTQLGPW-UHFFFAOYSA-N 0 1 225.311 2.145 20 0 BEADMN Cc1cc(CCNc2cccc(C)n2)nn1C ZINC000896027429 583765208 /nfs/dbraw/zinc/76/52/08/583765208.db2.gz WPOLETJVIIPJQJ-UHFFFAOYSA-N 0 1 230.315 2.087 20 0 BEADMN COc1ccc(C[N@H+]2C[C@@H](OC)CC[C@H]2C)o1 ZINC000896076934 583768472 /nfs/dbraw/zinc/76/84/72/583768472.db2.gz VIRCHJCPEMXDSO-MNOVXSKESA-N 0 1 239.315 2.288 20 0 BEADMN COc1ccc(CN2C[C@@H](OC)CC[C@H]2C)o1 ZINC000896076934 583768473 /nfs/dbraw/zinc/76/84/73/583768473.db2.gz VIRCHJCPEMXDSO-MNOVXSKESA-N 0 1 239.315 2.288 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896093903 583771502 /nfs/dbraw/zinc/77/15/02/583771502.db2.gz DWEUOCZOHBDWDP-NSHDSACASA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN1C(C)(C)C ZINC000896187682 583781309 /nfs/dbraw/zinc/78/13/09/583781309.db2.gz RVZLNKFFDFPNKC-IJLUTSLNSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1coc(CN2CC[C@@H](c3noc(C)n3)C2)c1 ZINC000896230887 583784461 /nfs/dbraw/zinc/78/44/61/583784461.db2.gz NELKDSFTUVEFRA-LLVKDONJSA-N 0 1 247.298 2.269 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896289730 583789124 /nfs/dbraw/zinc/78/91/24/583789124.db2.gz FISRTDDZVYFMAH-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1coc(CN2CCO[C@H](C)CC2)c1 ZINC000896579724 583814243 /nfs/dbraw/zinc/81/42/43/583814243.db2.gz QMLIACKUMXFZPM-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C3CCC3)c2)CCO1 ZINC000896580482 583814404 /nfs/dbraw/zinc/81/44/04/583814404.db2.gz VHEXYFUPVBKEEE-GFCCVEGCSA-N 0 1 249.358 2.219 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000896584402 583815115 /nfs/dbraw/zinc/81/51/15/583815115.db2.gz CXERPHCDOXXRRM-YNEHKIRRSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H]1CCN(Cc2n[nH]c3ccccc32)CCO1 ZINC000896584620 583815133 /nfs/dbraw/zinc/81/51/33/583815133.db2.gz PDELPLNUZKKDOH-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1CCN(Cc2[nH]nc3ccccc32)CCO1 ZINC000896584620 583815141 /nfs/dbraw/zinc/81/51/41/583815141.db2.gz PDELPLNUZKKDOH-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN CCc1ncc(CN2CCO[C@@H](C)CC2)s1 ZINC000896583992 583815377 /nfs/dbraw/zinc/81/53/77/583815377.db2.gz LJGTZMLJLBYAEX-JTQLQIEISA-N 0 1 240.372 2.316 20 0 BEADMN c1cnc([C@@H](NC[C@H]2CCC=CO2)C2CC2)nc1 ZINC000896599381 583816856 /nfs/dbraw/zinc/81/68/56/583816856.db2.gz QWTBQFFHXCRPNE-OLZOCXBDSA-N 0 1 245.326 2.210 20 0 BEADMN CC[C@](C)(CN[C@@H](c1ncccn1)C1CC1)OC ZINC000896598239 583816915 /nfs/dbraw/zinc/81/69/15/583816915.db2.gz GBFKASCFKCEUHH-TZMCWYRMSA-N 0 1 249.358 2.332 20 0 BEADMN CC(C)C[C@@H]1CN(C)CCN1c1nccs1 ZINC000896650434 583820776 /nfs/dbraw/zinc/82/07/76/583820776.db2.gz HQGQNVDYYFBYIZ-LLVKDONJSA-N 0 1 239.388 2.310 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1C(=O)[C@@H]1CCCN1C ZINC000896656240 583821244 /nfs/dbraw/zinc/82/12/44/583821244.db2.gz GLKJGBLLAUEDEW-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](C)CN1C(=O)[C@H]1CCCN1C ZINC000896656242 583821474 /nfs/dbraw/zinc/82/14/74/583821474.db2.gz GLKJGBLLAUEDEW-YNEHKIRRSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC000896693811 583824091 /nfs/dbraw/zinc/82/40/91/583824091.db2.gz IXHXYEYWVOIKJY-UTUOFQBUSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](C)[C@H](CN1CCn2cccc2C1)OC ZINC000896761061 583831582 /nfs/dbraw/zinc/83/15/82/583831582.db2.gz JIBHWLCSJWPPKC-OCCSQVGLSA-N 0 1 236.359 2.365 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(F)cc2C)no1 ZINC000132467962 583840015 /nfs/dbraw/zinc/84/00/15/583840015.db2.gz RYSLNEPWVWSIJX-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN OC1(C2CCC2)CCN(Cc2ccco2)CC1 ZINC000897035790 583872320 /nfs/dbraw/zinc/87/23/20/583872320.db2.gz VVVBMOHKWQBZBB-UHFFFAOYSA-N 0 1 235.327 2.407 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(F)cc2C)C1 ZINC000897061266 583875389 /nfs/dbraw/zinc/87/53/89/583875389.db2.gz GZJWKPSGNCOCPB-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ncccc1CC ZINC000897069185 583877057 /nfs/dbraw/zinc/87/70/57/583877057.db2.gz RAQSRODXZLQCJE-UHFFFAOYSA-N 0 1 244.298 2.182 20 0 BEADMN Cc1occc1CN[C@H]1CCCc2n[nH]cc21 ZINC000796719642 583878938 /nfs/dbraw/zinc/87/89/38/583878938.db2.gz HVZJCWHOLZIRTO-LBPRGKRZSA-N 0 1 231.299 2.478 20 0 BEADMN CC(C)[NH2+]CCc1c(F)cc([O-])cc1F ZINC000897305309 583913614 /nfs/dbraw/zinc/91/36/14/583913614.db2.gz REQBVEXMHKVSGK-UHFFFAOYSA-N 0 1 215.243 2.211 20 0 BEADMN C[C@@H](C(=O)Nc1c[nH]c2ccccc12)N(C)C ZINC000888114081 583966200 /nfs/dbraw/zinc/96/62/00/583966200.db2.gz YCBZLPVLKYLKRC-VIFPVBQESA-N 0 1 231.299 2.057 20 0 BEADMN C[C@H](C(=O)Nc1c[nH]c2ccccc12)N(C)C ZINC000888117061 583966571 /nfs/dbraw/zinc/96/65/71/583966571.db2.gz YCBZLPVLKYLKRC-SECBINFHSA-N 0 1 231.299 2.057 20 0 BEADMN C[C@H]1CN(Cc2cc(Cl)cs2)C[C@H]1O ZINC000897678972 584036904 /nfs/dbraw/zinc/03/69/04/584036904.db2.gz GJMPBRMAEPOPKF-OIBJUYFYSA-N 0 1 231.748 2.214 20 0 BEADMN C[C@H]1CN(Cc2cscc2Cl)C[C@@H]1O ZINC000897681134 584039548 /nfs/dbraw/zinc/03/95/48/584039548.db2.gz PJTGSYBTVJDOEB-XVKPBYJWSA-N 0 1 231.748 2.214 20 0 BEADMN OC1CC2(C[C@H]2NCc2cscc2Cl)C1 ZINC000897848947 584054591 /nfs/dbraw/zinc/05/45/91/584054591.db2.gz RFCFFSRGMUIXCU-LDGBHUKOSA-N 0 1 243.759 2.405 20 0 BEADMN CCC1(NC(=O)c2cncc3nc[nH]c32)CCC1 ZINC000897950267 584063529 /nfs/dbraw/zinc/06/35/29/584063529.db2.gz ZOYXJNKMPWRYHY-UHFFFAOYSA-N 0 1 244.298 2.020 20 0 BEADMN Cc1nnc(CN[C@@H]2C[C@H]3CCC[C@H]32)s1 ZINC000897957602 584065668 /nfs/dbraw/zinc/06/56/68/584065668.db2.gz CPOWQZCESZHLMF-OPRDCNLKSA-N 0 1 223.345 2.125 20 0 BEADMN COCc1cc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)no1 ZINC000897957967 584066606 /nfs/dbraw/zinc/06/66/06/584066606.db2.gz FTEWKDCTEOBDPY-ZWKOPEQDSA-N 0 1 236.315 2.099 20 0 BEADMN CCc1nnc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)s1 ZINC000897959431 584067386 /nfs/dbraw/zinc/06/73/86/584067386.db2.gz IBYPQOHSDYGFOP-IVZWLZJFSA-N 0 1 237.372 2.379 20 0 BEADMN O=c1ccc(CN2CC(Cc3ccoc3)C2)c[nH]1 ZINC000898159633 584087585 /nfs/dbraw/zinc/08/75/85/584087585.db2.gz ABBMSOISAMHWPH-UHFFFAOYSA-N 0 1 244.294 2.055 20 0 BEADMN Cc1ccoc1CNCc1ccc(CCO)cc1 ZINC000898172430 584088760 /nfs/dbraw/zinc/08/87/60/584088760.db2.gz IABHGDZCLNXNCQ-UHFFFAOYSA-N 0 1 245.322 2.413 20 0 BEADMN O[C@H](CCNCc1c(F)cccc1F)C1CC1 ZINC000898208766 584092309 /nfs/dbraw/zinc/09/23/09/584092309.db2.gz LAFDLDNRJBMZMC-CYBMUJFWSA-N 0 1 241.281 2.215 20 0 BEADMN Cc1cccc(CN2CC[C@@H](O)[C@@H](F)C2)c1C ZINC000898194820 584096472 /nfs/dbraw/zinc/09/64/72/584096472.db2.gz PJNGLTFYQPMVGJ-UONOGXRCSA-N 0 1 237.318 2.208 20 0 BEADMN CC(C)c1cncc(NC(=O)Cc2cnc[nH]2)c1 ZINC000888235298 584118677 /nfs/dbraw/zinc/11/86/77/584118677.db2.gz JQIOJGTZHGDDII-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN Cl/C=C\CN[C@@H]1CCc2cccnc21 ZINC000898424039 584132296 /nfs/dbraw/zinc/13/22/96/584132296.db2.gz AMXANFICDHVEQS-LGIFSFGNSA-N 0 1 208.692 2.411 20 0 BEADMN COC(=O)c1cc(CNC/C=C\Cl)c(C)o1 ZINC000898428066 584132710 /nfs/dbraw/zinc/13/27/10/584132710.db2.gz GTNXTBOTWSDLPZ-ARJAWSKDSA-N 0 1 243.690 2.217 20 0 BEADMN Cc1noc2ncc(CNC/C=C/Cl)cc12 ZINC000898429405 584133591 /nfs/dbraw/zinc/13/35/91/584133591.db2.gz SIEJTYQOHPVASU-NSCUHMNNSA-N 0 1 237.690 2.373 20 0 BEADMN Cn1cc(CNC/C=C/Cl)c(C2CC2)n1 ZINC000898429685 584133852 /nfs/dbraw/zinc/13/38/52/584133852.db2.gz XDFYQYGUQXEAKS-GORDUTHDSA-N 0 1 225.723 2.140 20 0 BEADMN CC(C)n1nccc1CNC/C=C\Cl ZINC000898431904 584134156 /nfs/dbraw/zinc/13/41/56/584134156.db2.gz CTNWUOSJZMYORN-HYXAFXHYSA-N 0 1 213.712 2.306 20 0 BEADMN Cl/C=C\CNCc1cnc(C2CC2)nc1 ZINC000898430308 584134733 /nfs/dbraw/zinc/13/47/33/584134733.db2.gz YJHARLVKXSWSLM-RJRFIUFISA-N 0 1 223.707 2.196 20 0 BEADMN C[C@@H](O)c1ncc(CNC/C=C/Cl)s1 ZINC000898434069 584135124 /nfs/dbraw/zinc/13/51/24/584135124.db2.gz SJFXNTIPUJTPNM-TYWZFMJISA-N 0 1 232.736 2.039 20 0 BEADMN CC(C)(C)Cn1[nH]c(CC2CC2)cc1=O ZINC000899347418 584199767 /nfs/dbraw/zinc/19/97/67/584199767.db2.gz TXILUAGBMMLTRL-UHFFFAOYSA-N 0 1 208.305 2.421 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c1C ZINC000899410803 584213237 /nfs/dbraw/zinc/21/32/37/584213237.db2.gz DGSOXGVSIXTGTQ-VNLLXPHSSA-N 0 1 247.342 2.048 20 0 BEADMN Cc1ccc(-n2cc([C@H]3CCCCN3)nn2)cc1 ZINC000899683841 584224451 /nfs/dbraw/zinc/22/44/51/584224451.db2.gz XMVQJHXMFGHODE-CYBMUJFWSA-N 0 1 242.326 2.390 20 0 BEADMN CC(C)CCn1cc([C@@H]2CCCCN2)nn1 ZINC000899695139 584226437 /nfs/dbraw/zinc/22/64/37/584226437.db2.gz BOKYBMPQDZNNCZ-NSHDSACASA-N 0 1 222.336 2.139 20 0 BEADMN CC(C)(C)Cn1cc([C@H]2CCCCN2)nn1 ZINC000899710569 584227584 /nfs/dbraw/zinc/22/75/84/584227584.db2.gz DFHXHWGDZLBPCD-SNVBAGLBSA-N 0 1 222.336 2.139 20 0 BEADMN CNCc1cn([C@H](C)c2ccc(F)cc2C)nn1 ZINC000899734850 584231974 /nfs/dbraw/zinc/23/19/74/584231974.db2.gz AHEYQIGGZGHXHB-SNVBAGLBSA-N 0 1 248.305 2.054 20 0 BEADMN CNC(C)(C)c1cn(CC[Si](C)(C)C)nn1 ZINC000899742730 584236312 /nfs/dbraw/zinc/23/63/12/584236312.db2.gz FJIKMUCPCDPKEQ-UHFFFAOYSA-N 0 1 240.427 2.071 20 0 BEADMN Cc1noc([C@@H]2NCC[C@@H]3CCCC[C@H]23)n1 ZINC000899992953 584263164 /nfs/dbraw/zinc/26/31/64/584263164.db2.gz GHUMMTDYWUDLKC-GARJFASQSA-N 0 1 221.304 2.219 20 0 BEADMN C1=CC[C@H](Cc2nc([C@H]3CCCN3)no2)CC1 ZINC000900009726 584264810 /nfs/dbraw/zinc/26/48/10/584264810.db2.gz JHIHNANGQANRCY-WDEREUQCSA-N 0 1 233.315 2.393 20 0 BEADMN C1CN[C@@H](c2noc([C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)n2)C1 ZINC000900010402 584265306 /nfs/dbraw/zinc/26/53/06/584265306.db2.gz QXOMHQDBRMMUML-ZNSALQAWSA-N 0 1 245.326 2.254 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)Cc2cnc[nH]2)cc1 ZINC000900122516 584275324 /nfs/dbraw/zinc/27/53/24/584275324.db2.gz DQHZJJBTJWDLMK-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)Cc2cnc[nH]2)cc1 ZINC000900122515 584275614 /nfs/dbraw/zinc/27/56/14/584275614.db2.gz DQHZJJBTJWDLMK-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900189276 584284706 /nfs/dbraw/zinc/28/47/06/584284706.db2.gz XFZRNHNNCSOUKP-ZYHUDNBSSA-N 0 1 235.331 2.037 20 0 BEADMN C/C(=C(/F)C(=O)Nc1cn[nH]c1)C1CC1 ZINC000900189000 584284715 /nfs/dbraw/zinc/28/47/15/584284715.db2.gz ZUAUMRBNVMIZGC-TWGQIWQCSA-N 0 1 209.224 2.002 20 0 BEADMN CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900189274 584284896 /nfs/dbraw/zinc/28/48/96/584284896.db2.gz XFZRNHNNCSOUKP-JQWIXIFHSA-N 0 1 235.331 2.037 20 0 BEADMN C[C@H]1CCC[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC000900347518 584296557 /nfs/dbraw/zinc/29/65/57/584296557.db2.gz WCLXNUAGHJWYJD-IUCAKERBSA-N 0 1 239.294 2.105 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1(C)CCCC1 ZINC000900378609 584299457 /nfs/dbraw/zinc/29/94/57/584299457.db2.gz UHDTWTMXZRTEJB-NSHDSACASA-N 0 1 238.375 2.308 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC1(C)CCCC1 ZINC000900378609 584299459 /nfs/dbraw/zinc/29/94/59/584299459.db2.gz UHDTWTMXZRTEJB-NSHDSACASA-N 0 1 238.375 2.308 20 0 BEADMN CCN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@H]1C ZINC000900531010 584322735 /nfs/dbraw/zinc/32/27/35/584322735.db2.gz VFYCQCDTNMBACC-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900572870 584326875 /nfs/dbraw/zinc/32/68/75/584326875.db2.gz JGQSWGVWPGEUQU-NEPJUHHUSA-N 0 1 249.358 2.283 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000900572872 584326913 /nfs/dbraw/zinc/32/69/13/584326913.db2.gz JGQSWGVWPGEUQU-NWDGAFQWSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@H](C)[C@H](C)N(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000900588190 584328843 /nfs/dbraw/zinc/32/88/43/584328843.db2.gz MXEFYEAAPYPUBM-QWRGUYRKSA-N 0 1 249.358 2.378 20 0 BEADMN CC(C)(C)[C@@H]1CCCN([C@@H]2CCOC2=O)CC1 ZINC000116309355 588975562 /nfs/dbraw/zinc/97/55/62/588975562.db2.gz OPPUDFMYXZVBDX-VXGBXAGGSA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H]1CCC[C@@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC000900733160 584346958 /nfs/dbraw/zinc/34/69/58/584346958.db2.gz ZCRWBOPIZFXDFF-RYUDHWBXSA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000900771788 584349362 /nfs/dbraw/zinc/34/93/62/584349362.db2.gz DFSCOIFZNFUKDV-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC1(C)C ZINC000900787564 584351465 /nfs/dbraw/zinc/35/14/65/584351465.db2.gz NXVQXZWHRYCBCZ-JOYOIKCWSA-N 0 1 247.342 2.087 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Cc1cnc[nH]1 ZINC000900953712 584366439 /nfs/dbraw/zinc/36/64/39/584366439.db2.gz FOGGHJCQVVIHGU-PWSUYJOCSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000900978870 584371222 /nfs/dbraw/zinc/37/12/22/584371222.db2.gz UEVDHJQISLPAIA-VHSXEESVSA-N 0 1 220.272 2.055 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)Cc1cnc[nH]1 ZINC000900982473 584372722 /nfs/dbraw/zinc/37/27/22/584372722.db2.gz DHYUPCUHDJCGJF-UHFFFAOYSA-N 0 1 237.347 2.141 20 0 BEADMN CC(C)CC1(CNC(=O)Cc2cnc[nH]2)CCC1 ZINC000901016202 584374134 /nfs/dbraw/zinc/37/41/34/584374134.db2.gz LAPKETQUXXTRCB-UHFFFAOYSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000901038761 584376392 /nfs/dbraw/zinc/37/63/92/584376392.db2.gz KUCHNJVYCXPDCA-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901117414 584386558 /nfs/dbraw/zinc/38/65/58/584386558.db2.gz IICKUVUWRANMTO-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN CC(Cl)=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000901106100 584388970 /nfs/dbraw/zinc/38/89/70/584388970.db2.gz KVASUPZMCFKLPP-WILPJHFFSA-N 0 1 239.706 2.046 20 0 BEADMN CCN1C[C@H](C)N(C(=O)/C=C(\C)Cl)C[C@H]1C ZINC000901267853 584418485 /nfs/dbraw/zinc/41/84/85/584418485.db2.gz BRCWSBUFWSFFKE-FSZCPTMNSA-N 0 1 244.766 2.070 20 0 BEADMN CC1(CNC(=O)Cc2cnc[nH]2)CCCCCC1 ZINC000901333556 584425626 /nfs/dbraw/zinc/42/56/26/584425626.db2.gz BTBPWZJWMWNPDP-UHFFFAOYSA-N 0 1 249.358 2.429 20 0 BEADMN CC[N@@H+](C/C=C/c1ccc(F)cc1)CC(=O)[O-] ZINC000901426367 584442366 /nfs/dbraw/zinc/44/23/66/584442366.db2.gz HKICMYTZKXXCQU-ONEGZZNKSA-N 0 1 237.274 2.245 20 0 BEADMN CCCCN1C(=O)N=NC1S[C@H](C)OCC ZINC000901402578 584443248 /nfs/dbraw/zinc/44/32/48/584443248.db2.gz NDAJPOCKZVUWJJ-MRVPVSSYSA-N 0 1 245.348 2.258 20 0 BEADMN Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000901454035 584444333 /nfs/dbraw/zinc/44/43/33/584444333.db2.gz QYCVRHVTDQCRKG-CQSZACIVSA-N 0 1 247.338 2.395 20 0 BEADMN CC[C@@](C)(C[N@@H+](CCC(=O)[O-])CC(C)C)OC ZINC000901592075 584465829 /nfs/dbraw/zinc/46/58/29/584465829.db2.gz LMHGUZLIGPTBOI-ZDUSSCGKSA-N 0 1 245.363 2.234 20 0 BEADMN CCSc1cccc(C[N@@H+](C)CC(=O)[O-])c1 ZINC000901577259 584466826 /nfs/dbraw/zinc/46/68/26/584466826.db2.gz ZFXWIFILATZCIK-UHFFFAOYSA-N 0 1 239.340 2.315 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccc2[nH]ccc21)C(=O)[O-] ZINC000901597424 584467877 /nfs/dbraw/zinc/46/78/77/584467877.db2.gz GWCPGOJUVBIBFL-JTQLQIEISA-N 0 1 246.310 2.320 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2(F)CC2)Cc2ccccc21 ZINC000901622584 584470121 /nfs/dbraw/zinc/47/01/21/584470121.db2.gz OZVSRAMOVHTZMQ-GFCCVEGCSA-N 0 1 249.285 2.173 20 0 BEADMN C[C@H]1C[C@H]1C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000901677208 584476574 /nfs/dbraw/zinc/47/65/74/584476574.db2.gz SSZOTPODXKYOHR-HZMBPMFUSA-N 0 1 245.322 2.399 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901890483 584501613 /nfs/dbraw/zinc/50/16/13/584501613.db2.gz JWKRYSBMOHAGTB-QWRGUYRKSA-N 0 1 245.388 2.172 20 0 BEADMN CCc1ccc(C[NH2+][C@](C)(CCF)C(=O)[O-])o1 ZINC000901916100 584503491 /nfs/dbraw/zinc/50/34/91/584503491.db2.gz SBGKGQKQMFNVGU-GFCCVEGCSA-N 0 1 243.278 2.135 20 0 BEADMN Cc1occc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000901954169 584508085 /nfs/dbraw/zinc/50/80/85/584508085.db2.gz KPGDPCPTGNPMMU-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN O=C([O-])C[N@@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000901972662 584509255 /nfs/dbraw/zinc/50/92/55/584509255.db2.gz YXCIXAOBCIUVJZ-UHFFFAOYSA-N 0 1 244.294 2.217 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000901975176 584509744 /nfs/dbraw/zinc/50/97/44/584509744.db2.gz BEFYCSVLVMLOMF-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN O=C1OCCN1CN1CCC[C@@H]1c1ccccc1 ZINC000902043836 584516318 /nfs/dbraw/zinc/51/63/18/584516318.db2.gz VBGBNWNMAMFPKL-CYBMUJFWSA-N 0 1 246.310 2.233 20 0 BEADMN CCc1oc(C[NH2+]Cc2ccco2)cc1C(=O)[O-] ZINC000902047611 584516861 /nfs/dbraw/zinc/51/68/61/584516861.db2.gz BOFHZYBDYGVEDB-UHFFFAOYSA-N 0 1 249.266 2.423 20 0 BEADMN CCCCCN(CN1CCOC1=O)C(C)C ZINC000902058999 584521266 /nfs/dbraw/zinc/52/12/66/584521266.db2.gz RJAHIIPWSJIUIN-UHFFFAOYSA-N 0 1 228.336 2.297 20 0 BEADMN O=C1OCCN1CNC1(c2ccccc2)CCC1 ZINC000902090113 584524671 /nfs/dbraw/zinc/52/46/71/584524671.db2.gz ODTIBRPGFDHLGX-UHFFFAOYSA-N 0 1 246.310 2.065 20 0 BEADMN CCn1ccnc1NCc1cn2ccnc2s1 ZINC000902113061 584526899 /nfs/dbraw/zinc/52/68/99/584526899.db2.gz APHJKQJZHDJFLW-UHFFFAOYSA-N 0 1 247.327 2.224 20 0 BEADMN CCn1ccnc1NCc1nccn1C1CC1 ZINC000902114893 584527645 /nfs/dbraw/zinc/52/76/45/584527645.db2.gz TVDHLYUDMWKDOH-UHFFFAOYSA-N 0 1 231.303 2.047 20 0 BEADMN C[C@H]1CN(CN2Cc3ccccc3C2=O)C[C@@H]1C ZINC000902165519 584533904 /nfs/dbraw/zinc/53/39/04/584533904.db2.gz DHGSICYMVNRAQP-RYUDHWBXSA-N 0 1 244.338 2.188 20 0 BEADMN C[C@H]1CCC[N@H+]1CN1Cc2ccccc2C1=O ZINC000902167785 584534784 /nfs/dbraw/zinc/53/47/84/584534784.db2.gz XGZSHZXJUZYQLU-NSHDSACASA-N 0 1 230.311 2.084 20 0 BEADMN C[C@H]1CCCN1CN1Cc2ccccc2C1=O ZINC000902167785 584534786 /nfs/dbraw/zinc/53/47/86/584534786.db2.gz XGZSHZXJUZYQLU-NSHDSACASA-N 0 1 230.311 2.084 20 0 BEADMN Cn1c(=O)[nH]nc1SCC[C@@H]1C[C@H]1C1CC1 ZINC000902200602 584537575 /nfs/dbraw/zinc/53/75/75/584537575.db2.gz ARRCWIFMWPTNBE-BDAKNGLRSA-N 0 1 239.344 2.049 20 0 BEADMN CCC1(CC)CCN(CN2CCOC2=O)CC1 ZINC000902229649 584541721 /nfs/dbraw/zinc/54/17/21/584541721.db2.gz XCQNWEYHURQKOQ-UHFFFAOYSA-N 0 1 240.347 2.298 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C[C@H]1C ZINC000902282317 584547262 /nfs/dbraw/zinc/54/72/62/584547262.db2.gz PEQCXWOTRIRICA-SKUMGHAQSA-N 0 1 249.310 2.465 20 0 BEADMN CCn1cnc(CNC[C@@H](OC)C(C)(C)C)c1 ZINC000902288117 584548275 /nfs/dbraw/zinc/54/82/75/584548275.db2.gz FUKDPEFLRXWMES-GFCCVEGCSA-N 0 1 239.363 2.054 20 0 BEADMN CC(C)(F)C[NH2+]Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902275959 584550176 /nfs/dbraw/zinc/55/01/76/584550176.db2.gz JRXYGSKUDKTMQI-WAYWQWQTSA-N 0 1 241.262 2.215 20 0 BEADMN CC(C)(F)C[NH2+]Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902275958 584550382 /nfs/dbraw/zinc/55/03/82/584550382.db2.gz JRXYGSKUDKTMQI-AATRIKPKSA-N 0 1 241.262 2.215 20 0 BEADMN Cc1cn[nH]c1CSCc1cc(C)n(C)n1 ZINC000902341580 584557208 /nfs/dbraw/zinc/55/72/08/584557208.db2.gz BWSPZXNYEFQXGL-UHFFFAOYSA-N 0 1 236.344 2.193 20 0 BEADMN CCOCCCSCc1[nH]ncc1C ZINC000902332458 584562968 /nfs/dbraw/zinc/56/29/68/584562968.db2.gz VTENERJJTWLAQW-UHFFFAOYSA-N 0 1 214.334 2.378 20 0 BEADMN Cc1cnc(CSCc2[nH]ncc2C)o1 ZINC000902431180 584595639 /nfs/dbraw/zinc/59/56/39/584595639.db2.gz JDDYUODDUWBGGH-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN CC(C)CCOC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000859091826 589000318 /nfs/dbraw/zinc/00/03/18/589000318.db2.gz ZWVGMTPRUJUNKV-NEPJUHHUSA-N 0 1 242.363 2.194 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902531513 584633121 /nfs/dbraw/zinc/63/31/21/584633121.db2.gz UQDXXQZDESAROI-JYESYGNLSA-N 0 1 235.283 2.362 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902531511 584633384 /nfs/dbraw/zinc/63/33/84/584633384.db2.gz UQDXXQZDESAROI-FGEFZZPRSA-N 0 1 235.283 2.362 20 0 BEADMN CCN(Cc1ccnc(F)c1)C[C@@H]1CCCO1 ZINC000859103878 589002544 /nfs/dbraw/zinc/00/25/44/589002544.db2.gz HSJYKEQGGMJXNZ-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN COCC[N@H+](Cc1ccnc(F)c1)CC(C)C ZINC000859077001 588998139 /nfs/dbraw/zinc/99/81/39/588998139.db2.gz OVETTXMXBCGKCX-UHFFFAOYSA-N 0 1 240.322 2.325 20 0 BEADMN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cn(C)nn1 ZINC000902872104 584683980 /nfs/dbraw/zinc/68/39/80/584683980.db2.gz CPXPEMRETWRSGY-DRZSPHRISA-N 0 1 248.374 2.435 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000902992047 584709892 /nfs/dbraw/zinc/70/98/92/584709892.db2.gz GAIYVJHFWRXFSE-RNJOBUHISA-N 0 1 227.323 2.378 20 0 BEADMN F[C@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000902991853 584710112 /nfs/dbraw/zinc/71/01/12/584710112.db2.gz CUDSXBROGXRESB-NWDGAFQWSA-N 0 1 227.323 2.380 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000902992045 584710147 /nfs/dbraw/zinc/71/01/47/584710147.db2.gz GAIYVJHFWRXFSE-NDBYEHHHSA-N 0 1 227.323 2.378 20 0 BEADMN Cc1cnccc1CCN1CCC[C@H](F)C1 ZINC000902992278 584710695 /nfs/dbraw/zinc/71/06/95/584710695.db2.gz INEGMVPWADHVIN-ZDUSSCGKSA-N 0 1 222.307 2.366 20 0 BEADMN F[C@@H]1CCCN(CCCc2cccnc2)C1 ZINC000902992973 584711100 /nfs/dbraw/zinc/71/11/00/584711100.db2.gz PGHQKDXPSMYTAB-CYBMUJFWSA-N 0 1 222.307 2.448 20 0 BEADMN O[C@@H](Cc1ccccc1)CN1CCC[C@H](F)C1 ZINC000902992964 584711106 /nfs/dbraw/zinc/71/11/06/584711106.db2.gz OZOSDOIYCRMJDD-KBPBESRZSA-N 0 1 237.318 2.024 20 0 BEADMN F[C@H]1CCCN(CCOCC2CCC2)C1 ZINC000902993581 584711353 /nfs/dbraw/zinc/71/13/53/584711353.db2.gz VRNWJYADMIUXEM-LBPRGKRZSA-N 0 1 215.312 2.237 20 0 BEADMN CC(C)(C)OCCN1CCC[C@@H](F)C1 ZINC000902994807 584712185 /nfs/dbraw/zinc/71/21/85/584712185.db2.gz IUXPPODXIYMZPB-SNVBAGLBSA-N 0 1 203.301 2.235 20 0 BEADMN CCOC(=O)CCCCN1CCC[C@@H](F)C1 ZINC000902998615 584714705 /nfs/dbraw/zinc/71/47/05/584714705.db2.gz NUZCKDSAJPNIBQ-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cn(C)nn1 ZINC000903037815 584720018 /nfs/dbraw/zinc/72/00/18/584720018.db2.gz CEUVIEMYQMVXPC-GARJFASQSA-N 0 1 236.363 2.290 20 0 BEADMN CC(C)(F)CN[C@H]1CCCc2c[nH]nc21 ZINC000903071178 584726307 /nfs/dbraw/zinc/72/63/07/584726307.db2.gz FQFWTXVLHBSLMP-VIFPVBQESA-N 0 1 211.284 2.125 20 0 BEADMN C[C@@H](N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000903095518 584729105 /nfs/dbraw/zinc/72/91/05/584729105.db2.gz WIPXGQYRWFZWOL-FSKPYACHSA-N 0 1 231.286 2.043 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000903095521 584729216 /nfs/dbraw/zinc/72/92/16/584729216.db2.gz WIPXGQYRWFZWOL-XBJGVBRDSA-N 0 1 231.286 2.043 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1noc2ccccc12 ZINC000903195791 584734268 /nfs/dbraw/zinc/73/42/68/584734268.db2.gz ARDRZGYGHJPNLD-SMDDNHRTSA-N 0 1 246.310 2.485 20 0 BEADMN CCCn1cc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)nn1 ZINC000903253562 584739083 /nfs/dbraw/zinc/73/90/83/584739083.db2.gz LVXJRKGVDKIZHE-NJMOYASZSA-N 0 1 248.374 2.383 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1ncc[nH]1 ZINC000903254163 584739396 /nfs/dbraw/zinc/73/93/96/584739396.db2.gz TVWHVMAEPPBTQN-MVWJERBFSA-N 0 1 235.331 2.018 20 0 BEADMN C[C@H](N[C@H](c1ncccn1)C1CC1)[C@H]1CCCO1 ZINC000903324308 584747403 /nfs/dbraw/zinc/74/74/03/584747403.db2.gz DHIHWZWIGPGCNH-UHTWSYAYSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903316851 584750046 /nfs/dbraw/zinc/75/00/46/584750046.db2.gz KDZWCYNLFKMOBC-CDEVMZEPSA-N 0 1 221.304 2.217 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H](c2ncccn2)C2CC2)CCO1 ZINC000903327182 584753340 /nfs/dbraw/zinc/75/33/40/584753340.db2.gz QPWAHCOHPJKRBV-KGYLQXTDSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@@H]1C[C@H](N[C@H](c2ncccn2)C2CC2)[C@H](C)O1 ZINC000903325814 584753470 /nfs/dbraw/zinc/75/34/70/584753470.db2.gz VLCOAYJZPWMUGR-URBCHYCLSA-N 0 1 247.342 2.083 20 0 BEADMN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ncc[nH]1 ZINC000903351002 584755398 /nfs/dbraw/zinc/75/53/98/584755398.db2.gz HEGIRCGQESVKOU-MNOVXSKESA-N 0 1 237.347 2.408 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C)c1ccncc1Cl ZINC000903393012 584756327 /nfs/dbraw/zinc/75/63/27/584756327.db2.gz DDMXONMACJHJGD-PTRXPTGYSA-N 0 1 240.734 2.421 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C)c1cc(O)ccc1F ZINC000903393600 584756675 /nfs/dbraw/zinc/75/66/75/584756675.db2.gz PZDNXJOYYKRRPT-VYUIOLGVSA-N 0 1 239.290 2.217 20 0 BEADMN COC[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859140697 589008021 /nfs/dbraw/zinc/00/80/21/589008021.db2.gz SWFSZTAJOWGYNJ-LBPRGKRZSA-N 0 1 238.306 2.079 20 0 BEADMN Cc1nc([C@@H](C)NCC[C@H](O)C2CC2)cs1 ZINC000903404923 584758381 /nfs/dbraw/zinc/75/83/81/584758381.db2.gz ARHNZCOHKSRLOI-PELKAZGASA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ncccc1CCN[C@@H](C)c1ncco1 ZINC000903417240 584760101 /nfs/dbraw/zinc/76/01/01/584760101.db2.gz CAWWFQFDWFTIRL-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C1CC1)c1cscn1 ZINC000903439182 584762740 /nfs/dbraw/zinc/76/27/40/584762740.db2.gz ZKLIZBDQCIGQGU-GDPRMGEGSA-N 0 1 238.356 2.219 20 0 BEADMN Cl/C=C\CN[C@@H]1CCCc2n[nH]cc21 ZINC000903444134 584768877 /nfs/dbraw/zinc/76/88/77/584768877.db2.gz NFEJTKYEGBQVGL-JHYPKJRRSA-N 0 1 211.696 2.129 20 0 BEADMN Cc1ncncc1[C@@H](C)NC/C=C\Cl ZINC000903446582 584769833 /nfs/dbraw/zinc/76/98/33/584769833.db2.gz ZBDYUIXFQSJQMC-TUUFMJSCSA-N 0 1 211.696 2.188 20 0 BEADMN Cc1ncncc1[C@H](C)NC/C=C\Cl ZINC000903446583 584769958 /nfs/dbraw/zinc/76/99/58/584769958.db2.gz ZBDYUIXFQSJQMC-VEMNSZJBSA-N 0 1 211.696 2.188 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000903608875 584785044 /nfs/dbraw/zinc/78/50/44/584785044.db2.gz OLHKGXQPOHDBLT-VXGBXAGGSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000903591681 584785088 /nfs/dbraw/zinc/78/50/88/584785088.db2.gz RDBPTELHWIVQGL-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)(C)CCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903616841 584786509 /nfs/dbraw/zinc/78/65/09/584786509.db2.gz LOTUZTYCAMGLHB-UWVGGRQHSA-N 0 1 231.311 2.310 20 0 BEADMN CCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617554 584787246 /nfs/dbraw/zinc/78/72/46/584787246.db2.gz ZCARMSWVQOCDCW-UWVGGRQHSA-N 0 1 217.284 2.064 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)CCCF ZINC000903627228 584787778 /nfs/dbraw/zinc/78/77/78/584787778.db2.gz NGSOPLBINHPLAJ-UHFFFAOYSA-N 0 1 243.278 2.332 20 0 BEADMN C/C(=C/C[N@H+]1CCCC12CCC2)C(=O)[O-] ZINC000903630265 584788228 /nfs/dbraw/zinc/78/82/28/584788228.db2.gz AEMHBGQFDXCAOR-WMZJFQQLSA-N 0 1 209.289 2.036 20 0 BEADMN O=C([O-])c1coc(C[N@H+]2CCCC23CCC3)c1 ZINC000903632407 584788299 /nfs/dbraw/zinc/78/82/99/584788299.db2.gz YHYIEPXZLVPDOX-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN CC[C@@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC000903695984 584790071 /nfs/dbraw/zinc/79/00/71/584790071.db2.gz OXPICAKOEZQRAW-LLVKDONJSA-N 0 1 225.332 2.363 20 0 BEADMN C[N@@H+](CCC1(C(=O)[O-])CCC1)C1CCC1 ZINC000903696434 584790106 /nfs/dbraw/zinc/79/01/06/584790106.db2.gz WQJUCMQBFMNSPZ-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CC(C)C1 ZINC000903697541 584790213 /nfs/dbraw/zinc/79/02/13/584790213.db2.gz KTDFUOIKMTWLKS-YVNMAJEFSA-N 0 1 213.321 2.218 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000903703158 584790496 /nfs/dbraw/zinc/79/04/96/584790496.db2.gz TZNMFPINRFHATQ-ADPBJBESSA-N 0 1 225.332 2.075 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H](CCc2ccccc2)C(=O)[O-])C1 ZINC000903887831 584813346 /nfs/dbraw/zinc/81/33/46/584813346.db2.gz GHWDIUNEYXNJEX-TZMCWYRMSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903890960 584814092 /nfs/dbraw/zinc/81/40/92/584814092.db2.gz HEONJRZDYHGOIQ-QJPTWQEYSA-N 0 1 225.332 2.218 20 0 BEADMN CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903890961 584814111 /nfs/dbraw/zinc/81/41/11/584814111.db2.gz HEONJRZDYHGOIQ-TUAOUCFPSA-N 0 1 225.332 2.218 20 0 BEADMN C[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000903886491 584819145 /nfs/dbraw/zinc/81/91/45/584819145.db2.gz FHUWKRHIQVTALJ-YUTCNCBUSA-N 0 1 245.322 2.326 20 0 BEADMN C[C@H]1CC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC000903896233 584819641 /nfs/dbraw/zinc/81/96/41/584819641.db2.gz QKHQLTUMVPTNLX-FMSGJZPZSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903894292 584819708 /nfs/dbraw/zinc/81/97/08/584819708.db2.gz SHXFKQRPRHYPCC-SNVBAGLBSA-N 0 1 248.326 2.400 20 0 BEADMN COC/C(C)=C/C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000903901406 584820684 /nfs/dbraw/zinc/82/06/84/584820684.db2.gz IITYRMPFJJSQTF-BCMYLCSRSA-N 0 1 243.347 2.010 20 0 BEADMN CCCC[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903928084 584824360 /nfs/dbraw/zinc/82/43/60/584824360.db2.gz OFBBEFNEFSZESJ-ZDUSSCGKSA-N 0 1 249.310 2.307 20 0 BEADMN CCC[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903948470 584830166 /nfs/dbraw/zinc/83/01/66/584830166.db2.gz FIDXQQHHGUABKB-ZDCRXTMVSA-N 0 1 213.321 2.216 20 0 BEADMN CCC[N@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903948468 584830266 /nfs/dbraw/zinc/83/02/66/584830266.db2.gz FIDXQQHHGUABKB-LNFKQOIKSA-N 0 1 213.321 2.216 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCCF)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952429 584831350 /nfs/dbraw/zinc/83/13/50/584831350.db2.gz XSEKNRIWJMKAFW-LMLFDSFASA-N 0 1 231.311 2.166 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(C2CC2)no1 ZINC000904084089 584840042 /nfs/dbraw/zinc/84/00/42/584840042.db2.gz GJVMCLQQSJEFEJ-VIFPVBQESA-N 0 1 209.293 2.254 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)O[C@@H](C)C1CC1 ZINC000904088043 584840980 /nfs/dbraw/zinc/84/09/80/584840980.db2.gz ZSBQVOWRJPBQGG-CMPLNLGQSA-N 0 1 225.332 2.201 20 0 BEADMN CN[C@@H](CC(C)C)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000904096504 584842355 /nfs/dbraw/zinc/84/23/55/584842355.db2.gz JHLSPZYCZKQFBE-AEJSXWLSSA-N 0 1 223.320 2.500 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)CN2CCCC2)[C@H](C)C1 ZINC000874472017 584882712 /nfs/dbraw/zinc/88/27/12/584882712.db2.gz UGWWZJPSTKABOU-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccccc1 ZINC000828594579 584903972 /nfs/dbraw/zinc/90/39/72/584903972.db2.gz DRPSJDOWZKISQB-NWDGAFQWSA-N 0 1 219.284 2.297 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H]1c1ccccc1 ZINC000828594580 584904062 /nfs/dbraw/zinc/90/40/62/584904062.db2.gz DRPSJDOWZKISQB-RYUDHWBXSA-N 0 1 219.284 2.297 20 0 BEADMN CC[C@H](C(=O)OCC(F)(F)F)N(CC)CC ZINC000741033923 584905040 /nfs/dbraw/zinc/90/50/40/584905040.db2.gz VZIXEWLJZKEWJX-MRVPVSSYSA-N 0 1 241.253 2.212 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@@](C)(F)C1 ZINC000830212377 584908130 /nfs/dbraw/zinc/90/81/30/584908130.db2.gz ODCRKTOAZMXGMV-GFCCVEGCSA-N 0 1 215.312 2.426 20 0 BEADMN CC(C)ONC(=O)Cc1cc2ccccc2o1 ZINC000836799882 584937062 /nfs/dbraw/zinc/93/70/62/584937062.db2.gz YIJRGBFMUNLEPE-UHFFFAOYSA-N 0 1 233.267 2.432 20 0 BEADMN CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732547548 584938633 /nfs/dbraw/zinc/93/86/33/584938633.db2.gz UOGYMPQOFHUNKL-ZCFIWIBFSA-N 0 1 237.690 2.413 20 0 BEADMN CCc1cc(CNC(=O)C2(C)CCCC2)n[nH]1 ZINC000732789771 584940652 /nfs/dbraw/zinc/94/06/52/584940652.db2.gz AXGJYRHTNVNKEH-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CCc1cc(CNC(=O)CC(C)(C)C)n[nH]1 ZINC000732791048 584940760 /nfs/dbraw/zinc/94/07/60/584940760.db2.gz MNIRWTXASXKWES-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CCc1cc(CNC(=O)CCC(C)C)n[nH]1 ZINC000732794240 584940797 /nfs/dbraw/zinc/94/07/97/584940797.db2.gz MRLUXBHJQOZDTA-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CCC(N)=NOCc1ncc(C(C)C)o1 ZINC000733307814 584946886 /nfs/dbraw/zinc/94/68/86/584946886.db2.gz WHHPZOXBOSBPOV-UHFFFAOYSA-N 0 1 211.265 2.206 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000734146526 584957226 /nfs/dbraw/zinc/95/72/26/584957226.db2.gz KAXRYRWYLGVSCE-KOLCDFICSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nonc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000734146492 584957253 /nfs/dbraw/zinc/95/72/53/584957253.db2.gz DQHSNOZMLGYTCK-CABZTGNLSA-N 0 1 223.320 2.389 20 0 BEADMN CCCCCC[C@H](C)C(=O)NCc1c[nH]nn1 ZINC000734568069 584964803 /nfs/dbraw/zinc/96/48/03/584964803.db2.gz JZOZYFJVAKSHMZ-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN Cc1cc(CNC(=O)/C=C\C2CCCCC2)n[nH]1 ZINC000735472508 584977440 /nfs/dbraw/zinc/97/74/40/584977440.db2.gz RTDHNQNZXDGMTI-FPLPWBNLSA-N 0 1 247.342 2.471 20 0 BEADMN Cc1oc(C(C)C)cc1C(=O)Nc1c[nH]nn1 ZINC000819488097 585002992 /nfs/dbraw/zinc/00/29/92/585002992.db2.gz MDCYXPAHABVKSQ-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)[C@H](NC(=O)C(F)(F)F)c1ccccn1 ZINC000736571800 585006436 /nfs/dbraw/zinc/00/64/36/585006436.db2.gz HZDNOEODDXZUME-VIFPVBQESA-N 0 1 246.232 2.457 20 0 BEADMN COC[C@@H]1CCCN1Cc1ncc(C)s1 ZINC000772205208 585013788 /nfs/dbraw/zinc/01/37/88/585013788.db2.gz SQJVLFBIISXURJ-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CO[C@H]1CC[C@@H](N(C)Cc2nccs2)C1 ZINC000821379025 585016124 /nfs/dbraw/zinc/01/61/24/585016124.db2.gz AAEMFYKUDPVMEC-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN CCn1nc(C)c(CN(C)C[C@@H]2CC=CCC2)n1 ZINC000824146777 585028739 /nfs/dbraw/zinc/02/87/39/585028739.db2.gz AFGOQELIRDETQX-CYBMUJFWSA-N 0 1 248.374 2.395 20 0 BEADMN CCc1nc(CN[C@H](COC)CC(C)C)co1 ZINC000825058484 585029190 /nfs/dbraw/zinc/02/91/90/585029190.db2.gz ZTUMXQLBPKULOM-NSHDSACASA-N 0 1 240.347 2.388 20 0 BEADMN Cc1coc(CNC[C@](C)(O)c2ccco2)c1 ZINC000885998746 585033613 /nfs/dbraw/zinc/03/36/13/585033613.db2.gz ATDSNJPOLUHHIG-ZDUSSCGKSA-N 0 1 235.283 2.178 20 0 BEADMN CC(C)(C)CC[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000737576896 585036463 /nfs/dbraw/zinc/03/64/63/585036463.db2.gz QZTSABYKDGXRQL-UHFFFAOYSA-N 0 1 228.336 2.108 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000738228555 585042054 /nfs/dbraw/zinc/04/20/54/585042054.db2.gz YMSCAWQAKDCOLV-SNVBAGLBSA-N 0 1 229.396 2.193 20 0 BEADMN CCC(CC)(CC)C(=O)OCc1c[nH]nn1 ZINC000838898707 585079630 /nfs/dbraw/zinc/07/96/30/585079630.db2.gz DOUFWIYRRPHDFG-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CCCC[C@@H](CC)C(=O)OCc1c[nH]nn1 ZINC000838900061 585079936 /nfs/dbraw/zinc/07/99/36/585079936.db2.gz DRCCGJOTLCIFML-SECBINFHSA-N 0 1 225.292 2.064 20 0 BEADMN CCCC(=CC(=O)OCc1c[nH]nn1)CCC ZINC000838899390 585080001 /nfs/dbraw/zinc/08/00/01/585080001.db2.gz VFISRJWISJKASI-UHFFFAOYSA-N 0 1 237.303 2.375 20 0 BEADMN CCc1nc([C@@H](C)NC[C@@H](O)C2CC2)cs1 ZINC000838930858 585081289 /nfs/dbraw/zinc/08/12/89/585081289.db2.gz NBQIKGOGZQHKQY-LDYMZIIASA-N 0 1 240.372 2.127 20 0 BEADMN CCc1nc([C@@H](C)NC[C@H](O)C2CC2)cs1 ZINC000838930856 585081516 /nfs/dbraw/zinc/08/15/16/585081516.db2.gz NBQIKGOGZQHKQY-KCJUWKMLSA-N 0 1 240.372 2.127 20 0 BEADMN Cc1cc(CNC[C@@H](C)c2ccncc2)no1 ZINC000838970528 585083236 /nfs/dbraw/zinc/08/32/36/585083236.db2.gz WRRSSHZDWJMUSC-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN CCn1ncc(CN[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000838989087 585084841 /nfs/dbraw/zinc/08/48/41/585084841.db2.gz FNFJWZSTDKNWNL-UONOGXRCSA-N 0 1 248.374 2.356 20 0 BEADMN CCn1ncc(CN(CC2CC2)C2CCC2)n1 ZINC000839067737 585089648 /nfs/dbraw/zinc/08/96/48/585089648.db2.gz ZYVKBFCJXVXDQE-UHFFFAOYSA-N 0 1 234.347 2.063 20 0 BEADMN CCn1ncc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000839081155 585089935 /nfs/dbraw/zinc/08/99/35/585089935.db2.gz VPTGELNMSVTMLZ-WCQYABFASA-N 0 1 236.363 2.309 20 0 BEADMN CCC(CC)N(CC)Cc1cnn(CC)n1 ZINC000839108537 585091398 /nfs/dbraw/zinc/09/13/98/585091398.db2.gz WURQPEQCIJDRJM-UHFFFAOYSA-N 0 1 224.352 2.309 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCCCCC2)[nH]1 ZINC000839456406 585104864 /nfs/dbraw/zinc/10/48/64/585104864.db2.gz OMIODQWYCXNNBL-SNVBAGLBSA-N 0 1 222.336 2.440 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC[C@H](C3CC3)O2)C[C@H](C)O1 ZINC000886116907 585105485 /nfs/dbraw/zinc/10/54/85/585105485.db2.gz VHKQQJVWBIGSMU-ZMJPVWNMSA-N 0 1 239.359 2.053 20 0 BEADMN CONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000839500892 585105663 /nfs/dbraw/zinc/10/56/63/585105663.db2.gz MVTOZCKYDOVURH-SNVBAGLBSA-N 0 1 235.283 2.009 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@H](C)C1 ZINC000741782737 585118384 /nfs/dbraw/zinc/11/83/84/585118384.db2.gz YQHIGURKVHFTNH-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(CC)CCC ZINC000741782390 585118429 /nfs/dbraw/zinc/11/84/29/585118429.db2.gz UHMFSLWNUJIKEZ-LLVKDONJSA-N 0 1 215.337 2.450 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CC(C)C ZINC000741781971 585118771 /nfs/dbraw/zinc/11/87/71/585118771.db2.gz RYDUYQUQGITSNH-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)(C)OC(=O)[C@H](C1CC1)N1C[C@@H]2C[C@@H]2C1 ZINC000886348088 585134111 /nfs/dbraw/zinc/13/41/11/585134111.db2.gz GDHSJVWDEVPIQZ-TUAOUCFPSA-N 0 1 237.343 2.058 20 0 BEADMN CCC1CCN(CN2C(=O)CC23CCC3)CC1 ZINC000743349114 585135551 /nfs/dbraw/zinc/13/55/51/585135551.db2.gz AZPFAYXTVXWWHQ-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC1(C)CCN(Cn2cc[nH]c2=S)CC1 ZINC000743361052 585135826 /nfs/dbraw/zinc/13/58/26/585135826.db2.gz IAHSZGPTWQKXQL-UHFFFAOYSA-N 0 1 225.361 2.251 20 0 BEADMN C[C@@H]1CCCCCN1Cn1cc[nH]c1=S ZINC000743365607 585135862 /nfs/dbraw/zinc/13/58/62/585135862.db2.gz FZODNONTQDAACM-SNVBAGLBSA-N 0 1 225.361 2.394 20 0 BEADMN S=c1[nH]ccn1CN1CC[C@@H](c2ccco2)C1 ZINC000743364666 585135895 /nfs/dbraw/zinc/13/58/95/585135895.db2.gz OKSVRRFTAMHNGM-SNVBAGLBSA-N 0 1 249.339 2.212 20 0 BEADMN S=c1[nH]ccn1CN1CC[C@H](c2ccco2)C1 ZINC000743364664 585135952 /nfs/dbraw/zinc/13/59/52/585135952.db2.gz OKSVRRFTAMHNGM-JTQLQIEISA-N 0 1 249.339 2.212 20 0 BEADMN C[C@H]1CCCCCN1Cn1cc[nH]c1=S ZINC000743365606 585136086 /nfs/dbraw/zinc/13/60/86/585136086.db2.gz FZODNONTQDAACM-JTQLQIEISA-N 0 1 225.361 2.394 20 0 BEADMN Cc1cc([C@@H]2CCCN2CC2(C)COC2)no1 ZINC000743839635 585140533 /nfs/dbraw/zinc/14/05/33/585140533.db2.gz PGVBKUOIELWRBJ-LBPRGKRZSA-N 0 1 236.315 2.156 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN(C)CC(C)C)C1 ZINC000744433734 585150494 /nfs/dbraw/zinc/15/04/94/585150494.db2.gz LAPGOGUCQXGEDH-CYBMUJFWSA-N 0 1 240.391 2.426 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN(C)CC(C)C)C1 ZINC000744433735 585150497 /nfs/dbraw/zinc/15/04/97/585150497.db2.gz LAPGOGUCQXGEDH-ZDUSSCGKSA-N 0 1 240.391 2.426 20 0 BEADMN O[C@H](c1ccccc1)C1CCN(CCF)CC1 ZINC000746498975 585168828 /nfs/dbraw/zinc/16/88/28/585168828.db2.gz AQEFFKPOBZPJQM-CQSZACIVSA-N 0 1 237.318 2.402 20 0 BEADMN CCCCC[C@@H](C)CC(=O)NCc1c[nH]nn1 ZINC000748415756 585192734 /nfs/dbraw/zinc/19/27/34/585192734.db2.gz BIGSJAINVVSUKM-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN COC(=O)/C(C)=C\CN1CC[C@@H](c2ccco2)C1 ZINC000748818281 585196820 /nfs/dbraw/zinc/19/68/20/585196820.db2.gz TWWKZEFHJHHNOE-DKRCXCIFSA-N 0 1 249.310 2.188 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nonc1C ZINC000748829035 585196970 /nfs/dbraw/zinc/19/69/70/585196970.db2.gz UNXBUPUUBWSCTQ-SECBINFHSA-N 0 1 211.309 2.246 20 0 BEADMN CCN(CN1C(=O)C(C)(C)C1(C)C)C1CCC1 ZINC000749168153 585200265 /nfs/dbraw/zinc/20/02/65/585200265.db2.gz LXSRYZDQBAOHDK-UHFFFAOYSA-N 0 1 238.375 2.465 20 0 BEADMN O=C1[C@@H]2CCCCC[C@H]2N1CN1C2CCC1CC2 ZINC000749935491 585208480 /nfs/dbraw/zinc/20/84/80/585208480.db2.gz AMWBPBYGHMXILD-NWINJMCUSA-N 0 1 248.370 2.362 20 0 BEADMN CCCN(CC)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749947883 585208724 /nfs/dbraw/zinc/20/87/24/585208724.db2.gz IQGYGTVWAWAXOD-STQMWFEESA-N 0 1 238.375 2.467 20 0 BEADMN O=C(CC/C=C/c1ccccc1)Nc1c[nH]nn1 ZINC000789927479 585212844 /nfs/dbraw/zinc/21/28/44/585212844.db2.gz DMGXVNUWLVVSEB-XBXARRHUSA-N 0 1 242.282 2.237 20 0 BEADMN C[C@@H](C(=O)N1Cc2ccccc2[C@H](C)C1)N(C)C ZINC000750607760 585217799 /nfs/dbraw/zinc/21/77/99/585217799.db2.gz YKBOTQJLPSDVRK-NEPJUHHUSA-N 0 1 246.354 2.082 20 0 BEADMN CCN(CC(=O)NC[C@H](C)C(C)(C)C)C1CC1 ZINC000750879378 585220955 /nfs/dbraw/zinc/22/09/55/585220955.db2.gz DKSQZCWIJJMEDT-NSHDSACASA-N 0 1 240.391 2.269 20 0 BEADMN CC=C(C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000751120316 585224401 /nfs/dbraw/zinc/22/44/01/585224401.db2.gz OPADDGXWRGNUSE-OQFOIZHKSA-N 0 1 242.282 2.376 20 0 BEADMN CC(C)=C(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751425792 585230150 /nfs/dbraw/zinc/23/01/50/585230150.db2.gz RWBORNWUJDCAER-UHFFFAOYSA-N 0 1 247.342 2.472 20 0 BEADMN CC/C=C(/C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751431451 585230180 /nfs/dbraw/zinc/23/01/80/585230180.db2.gz WARLPFCHLNTJSL-WCIBSUBMSA-N 0 1 247.342 2.472 20 0 BEADMN C/C=C(/C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000751424674 585230251 /nfs/dbraw/zinc/23/02/51/585230251.db2.gz FUZWUSVROBRSHM-KMKOMSMNSA-N 0 1 233.315 2.082 20 0 BEADMN CSC=CC(=O)Nc1nc2ccccc2[nH]1 ZINC000751460047 585230770 /nfs/dbraw/zinc/23/07/70/585230770.db2.gz MZAYOSZMYAHEED-VOTSOKGWSA-N 0 1 233.296 2.378 20 0 BEADMN CS/C=C\C(=O)Nc1ccc2nc[nH]c2c1 ZINC000751572877 585233084 /nfs/dbraw/zinc/23/30/84/585233084.db2.gz LZTKQHSKFXTGPL-PLNGDYQASA-N 0 1 233.296 2.378 20 0 BEADMN C[C@H]1CN(Cn2c3ccccc3oc2=O)C[C@H]1C ZINC000751929522 585239397 /nfs/dbraw/zinc/23/93/97/585239397.db2.gz QGDNTILVVIOQCU-PHIMTYICSA-N 0 1 246.310 2.140 20 0 BEADMN C[C@H]1CCN(CC(=O)Nc2ccc(O)cc2)[C@H]1C ZINC000752088048 585242061 /nfs/dbraw/zinc/24/20/61/585242061.db2.gz JKYLBMGPIRVAGJ-QWRGUYRKSA-N 0 1 248.326 2.061 20 0 BEADMN C/C(=C\C(=O)Nc1cc(N(C)C)ccn1)C1CC1 ZINC000753014664 585252232 /nfs/dbraw/zinc/25/22/32/585252232.db2.gz DWXHWHULYURIQF-CSKARUKUSA-N 0 1 245.326 2.442 20 0 BEADMN C/C=C/C=C/C(=O)Nc1cc(N(C)C)ccn1 ZINC000753014303 585252254 /nfs/dbraw/zinc/25/22/54/585252254.db2.gz BZFMRZRBUNJMNJ-YTXTXJHMSA-N 0 1 231.299 2.218 20 0 BEADMN C/C=C(\C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000753015967 585252401 /nfs/dbraw/zinc/25/24/01/585252401.db2.gz KFASGFBWJGVEOA-WEVVVXLNSA-N 0 1 219.288 2.052 20 0 BEADMN CCCCCC(C)(C)C(=O)NCc1c[nH]nn1 ZINC000753340498 585256872 /nfs/dbraw/zinc/25/68/72/585256872.db2.gz COSHTNQIZYRKKS-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CCC(=O)CCN1CCC[C@H]1c1cc(C)no1 ZINC000753703976 585266728 /nfs/dbraw/zinc/26/67/28/585266728.db2.gz DAHWWJSOIOPETM-LBPRGKRZSA-N 0 1 236.315 2.489 20 0 BEADMN C/C(=C\C(=O)NCc1cnc[nH]1)C(C)(C)C ZINC000754296125 585282331 /nfs/dbraw/zinc/28/23/31/585282331.db2.gz MQVHEKQJGXNTHD-WEVVVXLNSA-N 0 1 221.304 2.018 20 0 BEADMN C/C=C/C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000754711975 585289635 /nfs/dbraw/zinc/28/96/35/585289635.db2.gz ORFZVMPDKCRAGO-LKJMDQPVSA-N 0 1 236.319 2.072 20 0 BEADMN CCc1nc(COC(=O)/C=C2/CC[C@@H](C)C2)n[nH]1 ZINC000754845495 585291494 /nfs/dbraw/zinc/29/14/94/585291494.db2.gz KPOZIUJVCPERRV-SBMLRHLQSA-N 0 1 249.314 2.157 20 0 BEADMN CCc1nc(COC(=O)[C@@H](C)[C@H](C)CC)n[nH]1 ZINC000754883804 585292058 /nfs/dbraw/zinc/29/20/58/585292058.db2.gz RCIYGKGGWAYMGR-BDAKNGLRSA-N 0 1 239.319 2.093 20 0 BEADMN CCC/C(C)=C\C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000756151488 585315325 /nfs/dbraw/zinc/31/53/25/585315325.db2.gz XZGBXEADPUPMKG-QEEXHBDFSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1cc(CC(=O)OCCc2ccccc2)n[nH]1 ZINC000756234682 585315876 /nfs/dbraw/zinc/31/58/76/585315876.db2.gz ONBKHPKXODWNGR-UHFFFAOYSA-N 0 1 244.294 2.047 20 0 BEADMN Cc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000839532342 585320489 /nfs/dbraw/zinc/32/04/89/585320489.db2.gz AZBLGNGOQPVMNF-ZDUSSCGKSA-N 0 1 218.344 2.131 20 0 BEADMN COC(=O)[C@]1(C)CCCN(C/C=C\Cl)C1 ZINC000839665011 585334784 /nfs/dbraw/zinc/33/47/84/585334784.db2.gz FSEHVBVSNDUTES-VLWUPBBWSA-N 0 1 231.723 2.014 20 0 BEADMN Cc1nonc1CN1CC[C@H](C2CCC2)C1 ZINC000839681553 585337264 /nfs/dbraw/zinc/33/72/64/585337264.db2.gz TWCHZCSPLNPCRD-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN CC[C@@H](C)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757880444 585346512 /nfs/dbraw/zinc/34/65/12/585346512.db2.gz JLMCUBIPMZMPDL-RKDXNWHRSA-N 0 1 222.288 2.171 20 0 BEADMN Cc1cnc(=S)n(CN(C)CC(C)C)c1 ZINC000758303687 585353345 /nfs/dbraw/zinc/35/33/45/585353345.db2.gz DCTSCFWXDFLKGB-UHFFFAOYSA-N 0 1 225.361 2.466 20 0 BEADMN Cc1cnc(=S)n(CN2C[C@H](C)[C@@H](C)C2)c1 ZINC000758341386 585354002 /nfs/dbraw/zinc/35/40/02/585354002.db2.gz SBFDHLXBLSBZCG-QWRGUYRKSA-N 0 1 237.372 2.466 20 0 BEADMN CC[C@]1(C)CCN(Cc2nonc2C)C1 ZINC000758745626 585359392 /nfs/dbraw/zinc/35/93/92/585359392.db2.gz DQDJROYWCNWURS-LLVKDONJSA-N 0 1 209.293 2.000 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000758747681 585359484 /nfs/dbraw/zinc/35/94/84/585359484.db2.gz KIBMWYNTXQLINO-YPMHNXCESA-N 0 1 227.348 2.450 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CC[C@H](C)C2)n[nH]1 ZINC000759210501 585365735 /nfs/dbraw/zinc/36/57/35/585365735.db2.gz QNNNKSGVTVOSLV-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN FCCN1CCCN(c2ccccc2)CC1 ZINC000759326508 585367445 /nfs/dbraw/zinc/36/74/45/585367445.db2.gz GRBHXRYTFPMYJQ-UHFFFAOYSA-N 0 1 222.307 2.168 20 0 BEADMN COc1ccc([C@H]2CCN(CCF)C2)cc1 ZINC000759331711 585367980 /nfs/dbraw/zinc/36/79/80/585367980.db2.gz IURFEVATWFCMGX-LBPRGKRZSA-N 0 1 223.291 2.454 20 0 BEADMN CCCCCC[C@H](O)CN1CCOC[C@@H]1C ZINC000759338526 585368615 /nfs/dbraw/zinc/36/86/15/585368615.db2.gz OGIBJSVHIMYGRW-STQMWFEESA-N 0 1 229.364 2.038 20 0 BEADMN CCN(CCF)C[C@@H](O)c1ccc(C)cc1 ZINC000759345602 585369941 /nfs/dbraw/zinc/36/99/41/585369941.db2.gz HAJGWTBCTJHVRU-CYBMUJFWSA-N 0 1 225.307 2.320 20 0 BEADMN CCCCCC[C@H](O)CN(C)Cc1cn[nH]c1 ZINC000759387238 585371978 /nfs/dbraw/zinc/37/19/78/585371978.db2.gz HFESMIPNJGRXBQ-ZDUSSCGKSA-N 0 1 239.363 2.173 20 0 BEADMN CCCCCCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000759868770 585381621 /nfs/dbraw/zinc/38/16/21/585381621.db2.gz LZXUZHIEVXFFNM-DOMZBBRYSA-N 0 1 231.405 2.410 20 0 BEADMN O[C@H](CN1CC[C@@H]2C[C@@H]21)c1ccc(F)cc1F ZINC000761095341 585408579 /nfs/dbraw/zinc/40/85/79/585408579.db2.gz ONXDFSHRRYCOFY-OXHMUOHRSA-N 0 1 239.265 2.092 20 0 BEADMN CCC(CC)(CC)C(=O)OCCc1c[nH]nn1 ZINC000761212488 585412273 /nfs/dbraw/zinc/41/22/73/585412273.db2.gz OYLFXUAYTNYCRB-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CCC(CC)(CC)C(=O)OCCc1cnn[nH]1 ZINC000761212488 585412274 /nfs/dbraw/zinc/41/22/74/585412274.db2.gz OYLFXUAYTNYCRB-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CN(Cc1cn(C)nn1)C1CCCCCCC1 ZINC000761665500 585417884 /nfs/dbraw/zinc/41/78/84/585417884.db2.gz POGFASOGOWTWOD-UHFFFAOYSA-N 0 1 236.363 2.360 20 0 BEADMN Cc1cc(=O)[n-]c(C[NH+]2[C@@H](C)CCC[C@@H]2C)n1 ZINC000761876962 585421558 /nfs/dbraw/zinc/42/15/58/585421558.db2.gz PYXNECAOKWIIDE-QWRGUYRKSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cc(=O)[nH]c(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000761876962 585421559 /nfs/dbraw/zinc/42/15/59/585421559.db2.gz PYXNECAOKWIIDE-QWRGUYRKSA-N 0 1 235.331 2.254 20 0 BEADMN Cc1ccc([C@H](O)CNCc2ccc(C)cn2)o1 ZINC000761969536 585423402 /nfs/dbraw/zinc/42/34/02/585423402.db2.gz IFHDSEGOELALCC-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN C[C@@H]1COCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000762484929 585432845 /nfs/dbraw/zinc/43/28/45/585432845.db2.gz FTLUFTNYGJJTGV-SKDRFNHKSA-N 0 1 236.315 2.067 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](C2CC2)CC1=O ZINC000762498523 585433428 /nfs/dbraw/zinc/43/34/28/585433428.db2.gz WKAHUEIJLYLWLX-WCQYABFASA-N 0 1 238.375 2.180 20 0 BEADMN CN(C)C1(C(=O)N(C)c2ccccc2)CCC1 ZINC000763002606 585441124 /nfs/dbraw/zinc/44/11/24/585441124.db2.gz SAVSEAYPWNABEX-UHFFFAOYSA-N 0 1 232.327 2.134 20 0 BEADMN Cc1cc(CNC(=O)C(F)=C2CCCC2)n[nH]1 ZINC000763051861 585442539 /nfs/dbraw/zinc/44/25/39/585442539.db2.gz YNANOCSOPKUEKU-UHFFFAOYSA-N 0 1 237.278 2.132 20 0 BEADMN CC(C)(C(=O)NOCC1CC1)c1ccccc1 ZINC000763187517 585444233 /nfs/dbraw/zinc/44/42/33/585444233.db2.gz BWTIOQQKDLWGTQ-UHFFFAOYSA-N 0 1 233.311 2.422 20 0 BEADMN CC[C@H](C(=O)Nc1c[nH]nn1)c1ccc(F)cc1 ZINC000763200120 585444575 /nfs/dbraw/zinc/44/45/75/585444575.db2.gz YLCSKMDRYXLNQT-JTQLQIEISA-N 0 1 248.261 2.076 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676037 585452559 /nfs/dbraw/zinc/45/25/59/585452559.db2.gz PSPXWAHKWQAYQS-GHMZBOCLSA-N 0 1 249.310 2.368 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CC1)N1CCCC1 ZINC000763980578 585457915 /nfs/dbraw/zinc/45/79/15/585457915.db2.gz FFZNQGDPZSPFPJ-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC000765509314 585488698 /nfs/dbraw/zinc/48/86/98/585488698.db2.gz SOHMSHUQVWXHCN-SNVBAGLBSA-N 0 1 237.347 2.271 20 0 BEADMN CCN(Cn1ccc(-c2nccs2)n1)C1CC1 ZINC000766067823 585497332 /nfs/dbraw/zinc/49/73/32/585497332.db2.gz MVZOJDPTWUXUMI-UHFFFAOYSA-N 0 1 248.355 2.448 20 0 BEADMN C[C@H](NCCNc1ccccc1)c1cnccn1 ZINC000766516325 585503734 /nfs/dbraw/zinc/50/37/34/585503734.db2.gz VXJUYMGYAHFCJK-LBPRGKRZSA-N 0 1 242.326 2.239 20 0 BEADMN C[C@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000766690237 585505483 /nfs/dbraw/zinc/50/54/83/585505483.db2.gz CGGAAMVTEPTUNU-BXKDBHETSA-N 0 1 247.342 2.340 20 0 BEADMN O=C(C=C1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000766690924 585505722 /nfs/dbraw/zinc/50/57/22/585505722.db2.gz GMASQQVHIWJZBG-LBPRGKRZSA-N 0 1 245.326 2.404 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)OCCCF ZINC000767304952 585516496 /nfs/dbraw/zinc/51/64/96/585516496.db2.gz FJIJNNYRVCGQST-UHFFFAOYSA-N 0 1 236.246 2.008 20 0 BEADMN CC/C=C\CCN(C)CC(C)(C)S(C)(=O)=O ZINC000767333808 585516539 /nfs/dbraw/zinc/51/65/39/585516539.db2.gz WQIOCJNGCOWFQP-FPLPWBNLSA-N 0 1 247.404 2.098 20 0 BEADMN C[C@@H](C(=O)OCCCF)N1[C@H](C)CC[C@@H]1C ZINC000767348700 585517115 /nfs/dbraw/zinc/51/71/15/585517115.db2.gz HLJQHDNZYGICJV-AXFHLTTASA-N 0 1 231.311 2.151 20 0 BEADMN CC[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767807552 585526480 /nfs/dbraw/zinc/52/64/80/585526480.db2.gz UTIIFHHLWYIAAI-VIFPVBQESA-N 0 1 245.282 2.427 20 0 BEADMN CC(C)C[C@H](C)OC(=O)NCc1cnc[nH]1 ZINC000859235990 589023140 /nfs/dbraw/zinc/02/31/40/589023140.db2.gz QPTQEUYZDKUOTL-VIFPVBQESA-N 0 1 225.292 2.071 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccncc2)[nH]n1 ZINC000768402547 585538228 /nfs/dbraw/zinc/53/82/28/585538228.db2.gz LMYRIUHZJJXBOS-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccncc2)n[nH]1 ZINC000768402547 585538229 /nfs/dbraw/zinc/53/82/29/585538229.db2.gz LMYRIUHZJJXBOS-SNVBAGLBSA-N 0 1 230.315 2.218 20 0 BEADMN CCC/C(C)=C\C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000768851157 585544736 /nfs/dbraw/zinc/54/47/36/585544736.db2.gz NWXXPOMJHZDIEI-WDSMJVJCSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1cccc2c1CCN(Cc1cn[nH]c1)C2 ZINC000769340279 585554580 /nfs/dbraw/zinc/55/45/80/585554580.db2.gz VIOMSWLMYNMXJP-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN O=C1C[C@H](C2CC2)CN1CN1CCCC2(CC2)C1 ZINC000769799102 585563252 /nfs/dbraw/zinc/56/32/52/585563252.db2.gz SJELYSFJXNNDGG-ZDUSSCGKSA-N 0 1 248.370 2.078 20 0 BEADMN Cc1nc(COC(=O)C2CCCCCC2)n[nH]1 ZINC000770638023 585578301 /nfs/dbraw/zinc/57/83/01/585578301.db2.gz BSFNFQQLBMVCEI-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN CCC1(C(=O)OCc2n[nH]c(C)n2)CCCC1 ZINC000770643229 585578787 /nfs/dbraw/zinc/57/87/87/585578787.db2.gz DXCCYUJWFLQZMT-UHFFFAOYSA-N 0 1 237.303 2.127 20 0 BEADMN C[C@@H]1[C@H](C)N(C/C(Cl)=C/Cl)CCN1C ZINC000771461215 585594517 /nfs/dbraw/zinc/59/45/17/585594517.db2.gz RZRHTPASCPTPCG-QJXKICHHSA-N 0 1 237.174 2.330 20 0 BEADMN Cc1nonc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000771460047 585594743 /nfs/dbraw/zinc/59/47/43/585594743.db2.gz LSUAKHZUIKQBRN-JTQLQIEISA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)c1cnc(CN[C@@H](CCO)C2CC2)o1 ZINC000771796901 585600126 /nfs/dbraw/zinc/60/01/26/585600126.db2.gz TXZKAVKMFNYSAB-NSHDSACASA-N 0 1 238.331 2.049 20 0 BEADMN CC(C)c1cnc(CN[C@H](CCO)C2CC2)o1 ZINC000771796900 585600153 /nfs/dbraw/zinc/60/01/53/585600153.db2.gz TXZKAVKMFNYSAB-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN C[C@H](Cc1cnccn1)N[C@H](C)c1nccs1 ZINC000772448124 585615882 /nfs/dbraw/zinc/61/58/82/585615882.db2.gz QNAPJJIGGJDDRO-NXEZZACHSA-N 0 1 248.355 2.215 20 0 BEADMN C[C@H](Cc1cnccn1)N[C@@H](C)c1nccs1 ZINC000772448131 585616023 /nfs/dbraw/zinc/61/60/23/585616023.db2.gz QNAPJJIGGJDDRO-ZJUUUORDSA-N 0 1 248.355 2.215 20 0 BEADMN CSCCOC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000773521218 585639185 /nfs/dbraw/zinc/63/91/85/585639185.db2.gz FXSKGKHKRWCOCL-DCAQKATOSA-N 0 1 245.388 2.154 20 0 BEADMN CSCCOC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000773521211 585639205 /nfs/dbraw/zinc/63/92/05/585639205.db2.gz FXSKGKHKRWCOCL-AXFHLTTASA-N 0 1 245.388 2.154 20 0 BEADMN Cc1n[nH]c(C)c1[C@H]1CCCN1CCF ZINC000773541859 585639904 /nfs/dbraw/zinc/63/99/04/585639904.db2.gz FGTJYHQCCQKXOB-SNVBAGLBSA-N 0 1 211.284 2.133 20 0 BEADMN O=C(CCCCc1cn[nH]n1)OCC1CC=CC1 ZINC000774159102 585652200 /nfs/dbraw/zinc/65/22/00/585652200.db2.gz MRUJQGUEKOBQSA-UHFFFAOYSA-N 0 1 249.314 2.027 20 0 BEADMN CCc1cc(CNc2nnc(C3CC3)s2)n[nH]1 ZINC000774530055 585661064 /nfs/dbraw/zinc/66/10/64/585661064.db2.gz PTQMTNDWTJKDAE-UHFFFAOYSA-N 0 1 249.343 2.313 20 0 BEADMN CCCC(=CC(=O)N1CC(N(C)C)C1)CCC ZINC000775553698 585679526 /nfs/dbraw/zinc/67/95/26/585679526.db2.gz YGLAHVZOTRXJIW-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN COC(=O)CNC(C1CCCC1)C1CCCC1 ZINC000775616838 585681595 /nfs/dbraw/zinc/68/15/95/585681595.db2.gz HFNYZMHMEUITKT-UHFFFAOYSA-N 0 1 239.359 2.498 20 0 BEADMN CCc1cc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)n[nH]1 ZINC000775847524 585686289 /nfs/dbraw/zinc/68/62/89/585686289.db2.gz DZZMYQODYWBAFT-OCCSQVGLSA-N 0 1 249.358 2.271 20 0 BEADMN COc1cccc2c1N(Cc1cnc[nH]1)CCC2 ZINC000776101558 585690189 /nfs/dbraw/zinc/69/01/89/585690189.db2.gz JOQLYJNQFSRTML-UHFFFAOYSA-N 0 1 243.310 2.371 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H]1C(C)C ZINC000776579476 585700982 /nfs/dbraw/zinc/70/09/82/585700982.db2.gz LQACPQNMPVXUDF-LBPRGKRZSA-N 0 1 227.348 2.306 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776602387 585702387 /nfs/dbraw/zinc/70/23/87/585702387.db2.gz IORZGRORAUZUCT-MNOVXSKESA-N 0 1 242.363 2.336 20 0 BEADMN c1csc([C@@H]2CCCN2Cn2cnnc2)c1 ZINC000776757030 585704361 /nfs/dbraw/zinc/70/43/61/585704361.db2.gz XMYKDTIMZWUURL-JTQLQIEISA-N 0 1 234.328 2.134 20 0 BEADMN CC[C@@H](c1ccncc1)N(CC)Cn1cnnc1 ZINC000776760636 585704789 /nfs/dbraw/zinc/70/47/89/585704789.db2.gz USPAJVQZBXOJEK-ZDUSSCGKSA-N 0 1 245.330 2.104 20 0 BEADMN O=C(Cc1n[nH]c2c1CCCC2)OC1CCCC1 ZINC000777087250 585708322 /nfs/dbraw/zinc/70/83/22/585708322.db2.gz RWXFJQONDIUZHR-UHFFFAOYSA-N 0 1 248.326 2.317 20 0 BEADMN O=C(Cc1n[nH]c2c1CCCC2)OCC1CCC1 ZINC000777086506 585708451 /nfs/dbraw/zinc/70/84/51/585708451.db2.gz UEAVGQKCJAZQMK-UHFFFAOYSA-N 0 1 248.326 2.174 20 0 BEADMN C[C@H]1CCN(CCC(=O)C2CC2)C[C@H]1F ZINC000778231968 585728204 /nfs/dbraw/zinc/72/82/04/585728204.db2.gz DNIBQEUFTFHIBY-GXSJLCMTSA-N 0 1 213.296 2.036 20 0 BEADMN CCCCOC(=O)CCN1CC[C@H](C)[C@@H](F)C1 ZINC000778231326 585728245 /nfs/dbraw/zinc/72/82/45/585728245.db2.gz DTFBKHHOKVRQFD-RYUDHWBXSA-N 0 1 245.338 2.400 20 0 BEADMN C[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1F ZINC000778238603 585728922 /nfs/dbraw/zinc/72/89/22/585728922.db2.gz UDDHRRQHEZFDAX-MRVWCRGKSA-N 0 1 237.318 2.400 20 0 BEADMN CC(C)COC(=O)C(C)(C)N1CCCC1 ZINC000805610771 585737406 /nfs/dbraw/zinc/73/74/06/585737406.db2.gz JBUFHSUJAZFOKN-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CSCCCOC(=O)C(C)(C)N1CCCC1 ZINC000805610669 585737517 /nfs/dbraw/zinc/73/75/17/585737517.db2.gz MGKMNRIRRFEXSY-UHFFFAOYSA-N 0 1 245.388 2.157 20 0 BEADMN CC(C)CCOC(=O)C(C)(C)N1CCCC1 ZINC000805612967 585739439 /nfs/dbraw/zinc/73/94/39/585739439.db2.gz GOSHCRSAOLYQOS-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC(C)(C(=O)OCCCCF)N1CCCC1 ZINC000805616228 585740628 /nfs/dbraw/zinc/74/06/28/585740628.db2.gz RJLQEIARNKXNLR-UHFFFAOYSA-N 0 1 231.311 2.154 20 0 BEADMN OC1(CN2CCC=C(F)C2)CCCCC1 ZINC000778961947 585742979 /nfs/dbraw/zinc/74/29/79/585742979.db2.gz ZHNZDYYDIHXQMJ-UHFFFAOYSA-N 0 1 213.296 2.241 20 0 BEADMN C[C@]1(C(=O)NOC2CCCCC2)CCCOC1 ZINC000779315887 585750829 /nfs/dbraw/zinc/75/08/29/585750829.db2.gz BZOQPCWVBPUIFB-ZDUSSCGKSA-N 0 1 241.331 2.184 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)CCO)cs1 ZINC000779339601 585751462 /nfs/dbraw/zinc/75/14/62/585751462.db2.gz CZWXKESRLFBLEH-RKDXNWHRSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nc([C@@H](C)N[C@@H](C)CCO)cs1 ZINC000779339597 585751599 /nfs/dbraw/zinc/75/15/99/585751599.db2.gz CZWXKESRLFBLEH-DTWKUNHWSA-N 0 1 228.361 2.127 20 0 BEADMN CC(C)c1csc(CN[C@H](C)CCO)n1 ZINC000779407091 585753822 /nfs/dbraw/zinc/75/38/22/585753822.db2.gz RATPKRVWCGDBNC-SECBINFHSA-N 0 1 228.361 2.127 20 0 BEADMN CC(C)[C@@H]1CCCN(Cn2cc[nH]c2=S)C1 ZINC000780500830 585779645 /nfs/dbraw/zinc/77/96/45/585779645.db2.gz YPGDVLPKTIXZIM-LLVKDONJSA-N 0 1 239.388 2.497 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000780951250 585787104 /nfs/dbraw/zinc/78/71/04/585787104.db2.gz RDFAZMKFMBNJFT-KLOBIAMYSA-N 0 1 238.375 2.332 20 0 BEADMN CSC=CC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000781356699 585795017 /nfs/dbraw/zinc/79/50/17/585795017.db2.gz DWQHZPMAFHDNAN-ARJAWSKDSA-N 0 1 247.270 2.471 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000781609639 585800363 /nfs/dbraw/zinc/80/03/63/585800363.db2.gz ZCSFKUOJIQCENE-VWYCJHECSA-N 0 1 247.342 2.134 20 0 BEADMN COC(CN1CC[C@@H]1c1ccccc1)OC ZINC000781898464 585804612 /nfs/dbraw/zinc/80/46/12/585804612.db2.gz LHHRYPYPTPBSCN-GFCCVEGCSA-N 0 1 221.300 2.052 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC(C)(C)C2)n[nH]1 ZINC000781974568 585805877 /nfs/dbraw/zinc/80/58/77/585805877.db2.gz LEDSGHNRLIARBI-SNVBAGLBSA-N 0 1 249.358 2.415 20 0 BEADMN CCC[C@H](C)N(C)Cc1nnc2ccccn21 ZINC000782180957 585810346 /nfs/dbraw/zinc/81/03/46/585810346.db2.gz MJQOMGCIWFPRJV-NSHDSACASA-N 0 1 232.331 2.350 20 0 BEADMN C[C@@H](C1CC1)N1CCO[C@H](c2ccco2)C1 ZINC000782186377 585810988 /nfs/dbraw/zinc/81/09/88/585810988.db2.gz JRDKMKPEXCJPJE-GWCFXTLKSA-N 0 1 221.300 2.451 20 0 BEADMN C[C@@H]1CN(C)C(=O)CN1CCC1CCCCC1 ZINC000782594459 585821171 /nfs/dbraw/zinc/82/11/71/585821171.db2.gz HMSFCNMDCYLWIY-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN COC(=O)/C(C)=C/CN[C@@H](C)c1cnccc1C ZINC000783000206 585826940 /nfs/dbraw/zinc/82/69/40/585826940.db2.gz SMZQNXMRJGBVFS-BCMYLCSRSA-N 0 1 248.326 2.160 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1cn(-c2ccccc2)nn1 ZINC000783252969 585832326 /nfs/dbraw/zinc/83/23/26/585832326.db2.gz DRZPINRIDMAELY-BXUZGUMPSA-N 0 1 242.326 2.155 20 0 BEADMN CN(C[C@H]1CC=CCC1)CN1CCSC1=O ZINC000784008858 585846787 /nfs/dbraw/zinc/84/67/87/585846787.db2.gz JFEPMQZUOMIHPF-NSHDSACASA-N 0 1 240.372 2.401 20 0 BEADMN CCOc1cccc(CN2CC[C@H]3C[C@H]32)n1 ZINC000784227014 585853101 /nfs/dbraw/zinc/85/31/01/585853101.db2.gz WCDFVOWPQFKQRT-CMPLNLGQSA-N 0 1 218.300 2.075 20 0 BEADMN ClC=CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000784358789 585857048 /nfs/dbraw/zinc/85/70/48/585857048.db2.gz ZMQYJNGABQVGJF-IBHLPDHGSA-N 0 1 248.717 2.236 20 0 BEADMN CCc1cc(CNC(=O)C(C)(C)C(C)C)n[nH]1 ZINC000784409502 585858864 /nfs/dbraw/zinc/85/88/64/585858864.db2.gz COBBTTBIZHXHJN-UHFFFAOYSA-N 0 1 237.347 2.271 20 0 BEADMN CO[C@H]1CN(Cc2ccc(F)nc2)CC[C@H]1C ZINC000784668366 585865379 /nfs/dbraw/zinc/86/53/79/585865379.db2.gz OUKXOFIFSVORAN-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CN(Cc2ccc(F)nc2)CC[C@@H]1C ZINC000784668363 585865495 /nfs/dbraw/zinc/86/54/95/585865495.db2.gz OUKXOFIFSVORAN-JQWIXIFHSA-N 0 1 238.306 2.078 20 0 BEADMN CC(C)C1(O)CN([C@H]2CCc3ccccc32)C1 ZINC000785833639 585881780 /nfs/dbraw/zinc/88/17/80/585881780.db2.gz XFUBURBQXCXVJU-AWEZNQCLSA-N 0 1 231.339 2.377 20 0 BEADMN CCc1cc(CNC(=O)c2c(C)coc2C)n[nH]1 ZINC000786156252 585887942 /nfs/dbraw/zinc/88/79/42/585887942.db2.gz OPSAXHFBUGZRTK-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN COCCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000786339454 585889853 /nfs/dbraw/zinc/88/98/53/585889853.db2.gz IRIVWKQFHHQOMH-UHFFFAOYSA-N 0 1 240.303 2.035 20 0 BEADMN CCOC(=O)[C@H](C)[N@@H+](C[Si](C)(C)C)C1CC1 ZINC000787364541 585907966 /nfs/dbraw/zinc/90/79/66/585907966.db2.gz QVQWSMZWPCSKGW-JTQLQIEISA-N 0 1 243.423 2.280 20 0 BEADMN CC1(CC(=O)Nc2c[nH]nn2)CCCCC1 ZINC000788165138 585918655 /nfs/dbraw/zinc/91/86/55/585918655.db2.gz OXJYXSFIDCOZNY-UHFFFAOYSA-N 0 1 222.292 2.104 20 0 BEADMN CCCCCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000788271601 585920613 /nfs/dbraw/zinc/92/06/13/585920613.db2.gz PBZNKGUEUMOFAJ-UHFFFAOYSA-N 0 1 237.347 2.384 20 0 BEADMN CC1(C)CN(C[C@H](O)c2ccccc2F)C1 ZINC000788435389 585923234 /nfs/dbraw/zinc/92/32/34/585923234.db2.gz QUKIQHDJEXEHAL-LBPRGKRZSA-N 0 1 223.291 2.201 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(C2CCC2)CC1 ZINC000788860656 585931380 /nfs/dbraw/zinc/93/13/80/585931380.db2.gz GCHZZMQUDMZNQZ-BASWHVEKSA-N 0 1 236.359 2.039 20 0 BEADMN C/C=C(/CC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000788945590 585932091 /nfs/dbraw/zinc/93/20/91/585932091.db2.gz BATAURCXNUABFI-KZHSWYDLSA-N 0 1 238.375 2.284 20 0 BEADMN COC[C@@H](Cc1ccccc1)N(C)CCF ZINC000789456181 585943050 /nfs/dbraw/zinc/94/30/50/585943050.db2.gz NHTQHWZBQVRHEJ-CYBMUJFWSA-N 0 1 225.307 2.145 20 0 BEADMN c1nncn1CN1CCC=C(c2ccccc2)C1 ZINC000789541084 585943731 /nfs/dbraw/zinc/94/37/31/585943731.db2.gz LSXLZJYYVYRVEO-UHFFFAOYSA-N 0 1 240.310 2.025 20 0 BEADMN CC(C)[C@H](C(=O)OCCc1ccccc1)N(C)C ZINC000789800068 585950264 /nfs/dbraw/zinc/95/02/64/585950264.db2.gz FJQZLRGFEXTANL-CQSZACIVSA-N 0 1 249.354 2.359 20 0 BEADMN CC(C)[C@H](C(=O)OCc1ccsc1)N(C)C ZINC000789803526 585950880 /nfs/dbraw/zinc/95/08/80/585950880.db2.gz SQZCNHVXDFVMAS-LLVKDONJSA-N 0 1 241.356 2.378 20 0 BEADMN CC=C(CC)C(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000789849695 585951590 /nfs/dbraw/zinc/95/15/90/585951590.db2.gz UPRBLIPZQBRZQE-FWAPLPHYSA-N 0 1 221.304 2.333 20 0 BEADMN C/C=C(/CC)C(=O)Nc1cc(N(C)C)ccn1 ZINC000789849281 585951670 /nfs/dbraw/zinc/95/16/70/585951670.db2.gz DJJDBTWHIHWKAH-YHYXMXQVSA-N 0 1 233.315 2.442 20 0 BEADMN C/C=C(\CC)C(=O)Nc1cc(N(C)C)ccn1 ZINC000789849278 585951734 /nfs/dbraw/zinc/95/17/34/585951734.db2.gz DJJDBTWHIHWKAH-BJMVGYQFSA-N 0 1 233.315 2.442 20 0 BEADMN C[C@@H](CC(=O)Nc1c[nH]nn1)c1ccc(F)cc1 ZINC000789925383 585953233 /nfs/dbraw/zinc/95/32/33/585953233.db2.gz BEBWXOJVRWMLFM-QMMMGPOBSA-N 0 1 248.261 2.076 20 0 BEADMN O=C(Nc1c[nH]nn1)c1csc2ccccc12 ZINC000789925667 585953542 /nfs/dbraw/zinc/95/35/42/585953542.db2.gz HYMNEBXAEXHGJM-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN COc1cccc(CN[C@@H](C)c2ccc[nH]2)n1 ZINC000790981268 585971395 /nfs/dbraw/zinc/97/13/95/585971395.db2.gz VHANXUJTZMRXIG-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN CCCCCCNC(=O)CN1[C@H](C)C[C@H]1C ZINC000791565106 585984060 /nfs/dbraw/zinc/98/40/60/585984060.db2.gz FCCHIMCGZIODBP-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN CC(C)COC(=O)c1ccc2cncn2c1 ZINC000792546438 586002586 /nfs/dbraw/zinc/00/25/86/586002586.db2.gz NHOMSVUVLBBPSQ-UHFFFAOYSA-N 0 1 218.256 2.147 20 0 BEADMN Cc1ncc2c(n1)CCC[C@H]2NCC1(F)CC1 ZINC000792977755 586007867 /nfs/dbraw/zinc/00/78/67/586007867.db2.gz MUUWTALGJOQYLL-LLVKDONJSA-N 0 1 235.306 2.254 20 0 BEADMN Cc1ccc(CCCNCc2ccon2)cn1 ZINC000793001078 586008143 /nfs/dbraw/zinc/00/81/43/586008143.db2.gz LYKQXHPIKDTXRO-UHFFFAOYSA-N 0 1 231.299 2.100 20 0 BEADMN OC1(c2ccccc2)CCN(CC2(F)CC2)CC1 ZINC000793083992 586010210 /nfs/dbraw/zinc/01/02/10/586010210.db2.gz HNSNDKLHPITVAB-UHFFFAOYSA-N 0 1 249.329 2.472 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)c1ccc2cncn2c1 ZINC000793126728 586011158 /nfs/dbraw/zinc/01/11/58/586011158.db2.gz OUOUCFWVXSRCSJ-ONGXEEELSA-N 0 1 230.267 2.147 20 0 BEADMN CC/C=C\COC(=O)c1ccc2cncn2c1 ZINC000793128284 586011344 /nfs/dbraw/zinc/01/13/44/586011344.db2.gz VFJGZIDTXYFKKK-ARJAWSKDSA-N 0 1 230.267 2.457 20 0 BEADMN CC(C)=CCOC(=O)c1ccc2cncn2c1 ZINC000793186542 586013464 /nfs/dbraw/zinc/01/34/64/586013464.db2.gz QXGSNPPZMOMHAG-UHFFFAOYSA-N 0 1 230.267 2.457 20 0 BEADMN C[C@H](OC(=O)c1ccc2cncn2c1)C(F)F ZINC000793277559 586015869 /nfs/dbraw/zinc/01/58/69/586015869.db2.gz HVMOTJGNYIMHKS-ZETCQYMHSA-N 0 1 240.209 2.145 20 0 BEADMN CN(C)Cc1ccc(-c2cc[nH]n2)cc1F ZINC000793363652 586017475 /nfs/dbraw/zinc/01/74/75/586017475.db2.gz OAYXEMZOPPYLKR-UHFFFAOYSA-N 0 1 219.263 2.277 20 0 BEADMN C[C@H](CNC(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000793518000 586021291 /nfs/dbraw/zinc/02/12/91/586021291.db2.gz JLISAOHJRYGAPB-SNVBAGLBSA-N 0 1 237.347 2.141 20 0 BEADMN C[C@@H](CNC(=O)CCc1cnc[nH]1)C(C)(C)C ZINC000793517999 586021378 /nfs/dbraw/zinc/02/13/78/586021378.db2.gz JLISAOHJRYGAPB-JTQLQIEISA-N 0 1 237.347 2.141 20 0 BEADMN Cc1cc([C@H](C)NCc2ccc(C)nc2)n(C)n1 ZINC000793522892 586021541 /nfs/dbraw/zinc/02/15/41/586021541.db2.gz GOJRXWZPYNBLSO-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN O=C(NOC1CCCC1)[C@@H]1Cc2ccc(F)cc21 ZINC000793771743 586026362 /nfs/dbraw/zinc/02/63/62/586026362.db2.gz GSKYEFUZMIBWII-CYBMUJFWSA-N 0 1 249.285 2.456 20 0 BEADMN CC/C(C)=C(/C)C(=O)NCCN1CC=CCC1 ZINC000794115311 586032790 /nfs/dbraw/zinc/03/27/90/586032790.db2.gz KRUVAIAIIARBJL-SEYXRHQNSA-N 0 1 236.359 2.111 20 0 BEADMN CC(C)ON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000794531360 586041825 /nfs/dbraw/zinc/04/18/25/586041825.db2.gz WPZHBYKYJDGJSM-QWRGUYRKSA-N 0 1 227.352 2.156 20 0 BEADMN Cc1ccoc1CN(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000795168498 586070091 /nfs/dbraw/zinc/07/00/91/586070091.db2.gz QSTHNQJPTGJAJB-NSHDSACASA-N 0 1 249.310 2.116 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H](C)C2CC2)n1 ZINC000795448398 586079467 /nfs/dbraw/zinc/07/94/67/586079467.db2.gz UCWCPPQAYKLRSM-QMMMGPOBSA-N 0 1 237.303 2.017 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H](C)C2CC2)n[nH]1 ZINC000795448398 586079469 /nfs/dbraw/zinc/07/94/69/586079469.db2.gz UCWCPPQAYKLRSM-QMMMGPOBSA-N 0 1 237.303 2.017 20 0 BEADMN C[C@H](C[C@@H](O)c1ccco1)N[C@@H](C)c1ncc[nH]1 ZINC000796798738 586113184 /nfs/dbraw/zinc/11/31/84/586113184.db2.gz QOZBQOYWZTYVCR-OUAUKWLOSA-N 0 1 249.314 2.166 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CC(C)=C[C@@H](C)C2)C1 ZINC000797416058 586126598 /nfs/dbraw/zinc/12/65/98/586126598.db2.gz GJSMMLXOALLGOS-DGCLKSJQSA-N 0 1 236.359 2.100 20 0 BEADMN C[C@H](c1ccccc1)N(C)CC[S@@](C)=O ZINC000798193256 586139704 /nfs/dbraw/zinc/13/97/04/586139704.db2.gz IZCCGFKAXIGNSR-IAQYHMDHSA-N 0 1 225.357 2.058 20 0 BEADMN Cc1cc(Cl)ccc1C(=O)Nc1c[nH]nn1 ZINC000798248369 586141795 /nfs/dbraw/zinc/14/17/95/586141795.db2.gz XFKSQPQGLPHWAJ-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CC(C)[C@H](C(=O)OCC1(C)CCC1)N(C)C ZINC000798861884 586151745 /nfs/dbraw/zinc/15/17/45/586151745.db2.gz SPGUBOFUQTXCLZ-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN CS[C@H](C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798865372 586152066 /nfs/dbraw/zinc/15/20/66/586152066.db2.gz YVHLJFGIUVRXTF-MXWKQRLJSA-N 0 1 247.404 2.256 20 0 BEADMN CCCC[C@H](C)C(=O)OCc1n[nH]c(CC)n1 ZINC000800276669 586208656 /nfs/dbraw/zinc/20/86/56/586208656.db2.gz NLBNZQKYLNBAGY-VIFPVBQESA-N 0 1 239.319 2.237 20 0 BEADMN CCCC[C@H](C)C(=O)NCc1cc(CC)[nH]n1 ZINC000800490794 586223035 /nfs/dbraw/zinc/22/30/35/586223035.db2.gz LAYUAHLPSDVSLN-JTQLQIEISA-N 0 1 237.347 2.415 20 0 BEADMN CO[C@H](C[N@H+]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000801936045 586279318 /nfs/dbraw/zinc/27/93/18/586279318.db2.gz OGDFZIWMEZRXOL-DZGCQCFKSA-N 0 1 248.370 2.010 20 0 BEADMN Fc1ccc(-c2ccn(CN3CCCC3)n2)nc1 ZINC000839948327 586281281 /nfs/dbraw/zinc/28/12/81/586281281.db2.gz HLQIAEUKYZUKMC-UHFFFAOYSA-N 0 1 246.289 2.138 20 0 BEADMN CCCCN(CN1C[C@@H](C)[C@H](C)C1=O)C1CC1 ZINC000839957450 586294921 /nfs/dbraw/zinc/29/49/21/586294921.db2.gz CGSACSSDFGRTIK-NEPJUHHUSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CN(CN1C[C@@H](C)[C@@H](C)C1=O)C1CC1 ZINC000839958530 586295792 /nfs/dbraw/zinc/29/57/92/586295792.db2.gz KOIYHLCZOVVWHN-VXGBXAGGSA-N 0 1 238.375 2.179 20 0 BEADMN CC(C)CCN(C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839973794 586309237 /nfs/dbraw/zinc/30/92/37/586309237.db2.gz GDHZTKAAEREXDB-VXGBXAGGSA-N 0 1 226.364 2.036 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](C)[C@@H](C)C1=O ZINC000839990871 586333979 /nfs/dbraw/zinc/33/39/79/586333979.db2.gz AJCKZIGGQIWNCD-SDDRHHMPSA-N 0 1 226.364 2.036 20 0 BEADMN CCCN(CN1C[C@@H]2CCC[C@H]2C1=O)C1CC1 ZINC000839990837 586334049 /nfs/dbraw/zinc/33/40/49/586334049.db2.gz KQGZFYNSCDIDAM-WCQYABFASA-N 0 1 236.359 2.077 20 0 BEADMN C[C@H]1C[C@@H]1COC(=O)c1c(F)cc(O)cc1F ZINC000859562739 589045456 /nfs/dbraw/zinc/04/54/56/589045456.db2.gz PHEMKPGTIYKCTD-NKWVEPMBSA-N 0 1 242.221 2.483 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1C[C@H]1C)N1CCCC1 ZINC000859568062 589046018 /nfs/dbraw/zinc/04/60/18/589046018.db2.gz YXZULRGANXICTL-FRRDWIJNSA-N 0 1 239.359 2.306 20 0 BEADMN CCC(CC)OC(=O)[C@H](C(C)C)N(C)C ZINC000803495039 586361507 /nfs/dbraw/zinc/36/15/07/586361507.db2.gz BWTWCLYIXPSZNJ-NSHDSACASA-N 0 1 215.337 2.304 20 0 BEADMN C[C@H]1CN(CN(C)CC(C)(C)C)C(=O)[C@@H]1C ZINC000840005120 586364920 /nfs/dbraw/zinc/36/49/20/586364920.db2.gz VHMLJYNRTDCXKV-WDEREUQCSA-N 0 1 226.364 2.036 20 0 BEADMN CC[C@@]1(C)CCCN(CN2CC[C@H](C)C2=O)C1 ZINC000840015658 586372489 /nfs/dbraw/zinc/37/24/89/586372489.db2.gz PZZUKPGPFTZUCN-JSGCOSHPSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840015801 586372782 /nfs/dbraw/zinc/37/27/82/586372782.db2.gz RXXMDIVNGGBGFG-SWHYSGLUSA-N 0 1 248.370 2.075 20 0 BEADMN O=C1[C@@H]2CCC[C@H]2CN1CN1CCC2(CCC2)C1 ZINC000840023675 586383165 /nfs/dbraw/zinc/38/31/65/586383165.db2.gz SGDPENFYFAUNGM-QWHCGFSZSA-N 0 1 248.370 2.078 20 0 BEADMN CN(C[C@H]1CC=CCC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840043554 586392719 /nfs/dbraw/zinc/39/27/19/586392719.db2.gz LSNSGGQRGBRMGQ-MJBXVCDLSA-N 0 1 248.370 2.243 20 0 BEADMN C[C@H]1CCN(CN2CC[C@H](C)C(C)(C)C2)C1=O ZINC000840049582 586398938 /nfs/dbraw/zinc/39/89/38/586398938.db2.gz SONYNGCBCGZVCF-RYUDHWBXSA-N 0 1 238.375 2.180 20 0 BEADMN Fc1cccc(CN(C2CC2)C2CC2)n1 ZINC000859626415 589050334 /nfs/dbraw/zinc/05/03/34/589050334.db2.gz JLODHYLZIKDTRW-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN O=C1[C@@H]2CCC[C@@H]2N1CN1CCC(C2CC2)CC1 ZINC000840073316 586418295 /nfs/dbraw/zinc/41/82/95/586418295.db2.gz AMSZRZXVMRTKRR-KGLIPLIRSA-N 0 1 248.370 2.077 20 0 BEADMN CCCCOCc1nc([C@@H](N)C(C)C)no1 ZINC000843148669 586447783 /nfs/dbraw/zinc/44/77/83/586447783.db2.gz VMODGRMFYHEUOJ-JTQLQIEISA-N 0 1 227.308 2.042 20 0 BEADMN Cc1cnc(-c2nc([C@@H](N)C(C)C)no2)c(C)c1 ZINC000843148628 586448011 /nfs/dbraw/zinc/44/80/11/586448011.db2.gz BPFYKAWFZATFNJ-JTQLQIEISA-N 0 1 246.314 2.404 20 0 BEADMN CC[C@@H](CC1CCCC1)C(=O)Nc1c[nH]nn1 ZINC000807922637 586451898 /nfs/dbraw/zinc/45/18/98/586451898.db2.gz HKIITQIWGXEZDJ-JTQLQIEISA-N 0 1 236.319 2.350 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC(C)CC2)C1 ZINC000808133109 586464264 /nfs/dbraw/zinc/46/42/64/586464264.db2.gz AMAVSEGXVYYGAZ-AWEZNQCLSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000808134500 586464299 /nfs/dbraw/zinc/46/42/99/586464299.db2.gz WDCWXNJQERUZBI-JSGCOSHPSA-N 0 1 238.375 2.324 20 0 BEADMN CC(C)CCN(C)CN1C(=O)CCC1(C)C ZINC000808146553 586464566 /nfs/dbraw/zinc/46/45/66/586464566.db2.gz YEEYRKDOKRBDRC-UHFFFAOYSA-N 0 1 226.364 2.323 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000808164261 586465286 /nfs/dbraw/zinc/46/52/86/586465286.db2.gz FQUKAHCXLQZPNX-YPMHNXCESA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN(C)C2CCC2)C1 ZINC000808166730 586466155 /nfs/dbraw/zinc/46/61/55/586466155.db2.gz ZLLLWCCGTQWFKA-ZDUSSCGKSA-N 0 1 224.348 2.077 20 0 BEADMN O=C1SCCN1CN1CCC[C@H](C2CC2)C1 ZINC000808228903 586468232 /nfs/dbraw/zinc/46/82/32/586468232.db2.gz XUHXEIAUBACWQG-NSHDSACASA-N 0 1 240.372 2.235 20 0 BEADMN CCN(Cc1cnnn1-c1ccccc1)C(C)C ZINC000808711561 586483775 /nfs/dbraw/zinc/48/37/75/586483775.db2.gz KKIDVOQCMDRUJR-UHFFFAOYSA-N 0 1 244.342 2.498 20 0 BEADMN CC[C@H]1C[N@@H+](CCC(=O)C(C)C)C[C@H](C)O1 ZINC000808725918 586484688 /nfs/dbraw/zinc/48/46/88/586484688.db2.gz KLANVKUWUUXYPR-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN CC[C@H]1CN(CCC(=O)C(C)C)C[C@H](C)O1 ZINC000808725918 586484690 /nfs/dbraw/zinc/48/46/90/586484690.db2.gz KLANVKUWUUXYPR-RYUDHWBXSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C[C@H]1COCCN1CCC(=O)C(C)C ZINC000808728496 586485407 /nfs/dbraw/zinc/48/54/07/586485407.db2.gz RXIBMEAEOKPISG-ZDUSSCGKSA-N 0 1 241.375 2.349 20 0 BEADMN CC(C)C(=O)CCN1C[C@@H](C)O[C@H](C)[C@@H]1C ZINC000808749604 586487599 /nfs/dbraw/zinc/48/75/99/586487599.db2.gz BXMOJMZPMMAFAI-GRYCIOLGSA-N 0 1 227.348 2.099 20 0 BEADMN CC(C)C(=O)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000808754022 586488222 /nfs/dbraw/zinc/48/82/22/586488222.db2.gz HIURTVLWCZNANT-CYBMUJFWSA-N 0 1 241.375 2.349 20 0 BEADMN CCOC1CC([N@@H+](C)CCC(=O)C(C)C)C1 ZINC000808759297 586489103 /nfs/dbraw/zinc/48/91/03/586489103.db2.gz OGCNNBMNGJOLKC-UHFFFAOYSA-N 0 1 227.348 2.101 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C2CC2)C1 ZINC000808776085 586489670 /nfs/dbraw/zinc/48/96/70/586489670.db2.gz BIQSDAZBGFSGIS-NSHDSACASA-N 0 1 221.304 2.000 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840179436 586506446 /nfs/dbraw/zinc/50/64/46/586506446.db2.gz BGSWMCUBHCXXLL-TUAOUCFPSA-N 0 1 236.359 2.075 20 0 BEADMN C[C@@H]1CC(C)(C)CN1CN1CCSC1=O ZINC000840182679 586509403 /nfs/dbraw/zinc/50/94/03/586509403.db2.gz IGRXRPMXZROBHD-SECBINFHSA-N 0 1 228.361 2.233 20 0 BEADMN Cc1nonc1CNC[C@H]1C[C@H]1c1ccccc1 ZINC000809743714 586516223 /nfs/dbraw/zinc/51/62/23/586516223.db2.gz BBJHRNPTVBOUPY-OLZOCXBDSA-N 0 1 243.310 2.271 20 0 BEADMN CCN(CN1CC[C@@H](C)C1=O)C1CC(C)(C)C1 ZINC000840185079 586520670 /nfs/dbraw/zinc/52/06/70/586520670.db2.gz WYBQURLJTYWRIV-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@H](C1CCCCC1)N(C)Cc1cnn(C)n1 ZINC000810003728 586530824 /nfs/dbraw/zinc/53/08/24/586530824.db2.gz DCCQBHWTWGTXPX-LLVKDONJSA-N 0 1 236.363 2.216 20 0 BEADMN O=C1SCCN1CN1CC[C@@H](C2CCC2)C1 ZINC000840190324 586531044 /nfs/dbraw/zinc/53/10/44/586531044.db2.gz WEVVKIMMARJGNU-LLVKDONJSA-N 0 1 240.372 2.235 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC(F)(F)[C@@H](C)C1 ZINC000810046575 586532637 /nfs/dbraw/zinc/53/26/37/586532637.db2.gz WYBCSLSZNASTPE-LLGDCAAFSA-N 0 1 247.285 2.083 20 0 BEADMN CCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810538468 586540310 /nfs/dbraw/zinc/54/03/10/586540310.db2.gz DZEIIQNRWNVOPW-LBPRGKRZSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810539786 586540682 /nfs/dbraw/zinc/54/06/82/586540682.db2.gz VUUDMRZUCXAKIZ-ZDUSSCGKSA-N 0 1 245.338 2.398 20 0 BEADMN C/C=C/COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810545636 586541060 /nfs/dbraw/zinc/54/10/60/586541060.db2.gz JGSVCAIINVIPQB-GFUIURDCSA-N 0 1 243.322 2.318 20 0 BEADMN CCC[C@H](C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840208904 586546560 /nfs/dbraw/zinc/54/65/60/586546560.db2.gz NOTAMZDJNNAKHI-JGVFFNPUSA-N 0 1 225.292 2.154 20 0 BEADMN C/C(=C/C(=O)O[C@H](C)c1n[nH]c(C)n1)C1CC1 ZINC000840213265 586548697 /nfs/dbraw/zinc/54/86/97/586548697.db2.gz BXEDHKBLPMIGEV-NFXKFNAJSA-N 0 1 235.287 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C=C2CCCC2)n[nH]1 ZINC000840214895 586549589 /nfs/dbraw/zinc/54/95/89/586549589.db2.gz GVZFSWUAXVEKEZ-QMMMGPOBSA-N 0 1 235.287 2.218 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1CCCC[C@H]1F)N(C)C ZINC000810894346 586549785 /nfs/dbraw/zinc/54/97/85/586549785.db2.gz YKISCCLMJMBCKG-IJLUTSLNSA-N 0 1 245.338 2.397 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC000840232113 586560903 /nfs/dbraw/zinc/56/09/03/586560903.db2.gz QTNRDHZUXSLEEV-YUMQZZPRSA-N 0 1 225.292 2.009 20 0 BEADMN CC1CC(OC(=O)c2ccc3cncn3c2)C1 ZINC000813228679 586597405 /nfs/dbraw/zinc/59/74/05/586597405.db2.gz CODYMXLIOVWEPL-UHFFFAOYSA-N 0 1 230.267 2.290 20 0 BEADMN C[C@H](NC[C@@H]1CCCO1)c1cn2c(n1)CCCC2 ZINC000813322491 586600024 /nfs/dbraw/zinc/60/00/24/586600024.db2.gz CXAGTKIGNUGRSY-RYUDHWBXSA-N 0 1 249.358 2.049 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)C[C@@H]2C=CCC2)n1 ZINC000813899657 586609054 /nfs/dbraw/zinc/60/90/54/586609054.db2.gz IDZLAWBQAJQWGA-SNVBAGLBSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)C[C@@H]2C=CCC2)n[nH]1 ZINC000813899657 586609055 /nfs/dbraw/zinc/60/90/55/586609055.db2.gz IDZLAWBQAJQWGA-SNVBAGLBSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)(C)c1nnc(COC(=O)c2ccco2)[nH]1 ZINC000814358086 586621384 /nfs/dbraw/zinc/62/13/84/586621384.db2.gz BCXNYKDQGIPTOH-UHFFFAOYSA-N 0 1 249.270 2.052 20 0 BEADMN CC(C)(C)c1nc(COC(=O)c2ccco2)n[nH]1 ZINC000814358086 586621385 /nfs/dbraw/zinc/62/13/85/586621385.db2.gz BCXNYKDQGIPTOH-UHFFFAOYSA-N 0 1 249.270 2.052 20 0 BEADMN CSCSc1nc(-c2cccnc2)n[nH]1 ZINC000814744671 586631430 /nfs/dbraw/zinc/63/14/30/586631430.db2.gz YWHSTQJRBLLLII-UHFFFAOYSA-N 0 1 238.341 2.279 20 0 BEADMN CCc1nocc1CNC[C@H](O)c1ccccc1 ZINC000815111101 586666958 /nfs/dbraw/zinc/66/69/58/586666958.db2.gz HAWDAHNNSPCNKR-AWEZNQCLSA-N 0 1 246.310 2.060 20 0 BEADMN CCCCCCNC(=O)CN1C[C@@H](C)[C@H]1C ZINC000815162008 586671264 /nfs/dbraw/zinc/67/12/64/586671264.db2.gz GCSQXVCHHIIEQR-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc(Cl)cc1C(=O)Nc1c[nH]nn1 ZINC000816318401 586717489 /nfs/dbraw/zinc/71/74/89/586717489.db2.gz SONFVUQHBXQAKI-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN CC(C)[C@H](NC(=O)C(C)(F)F)C(F)(F)F ZINC000816409676 586725014 /nfs/dbraw/zinc/72/50/14/586725014.db2.gz YLHDAQJFFNOGAF-YFKPBYRVSA-N 0 1 233.180 2.345 20 0 BEADMN Cc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)o1 ZINC000816427121 586729665 /nfs/dbraw/zinc/72/96/65/586729665.db2.gz KYCPQARJYMMEMX-GFCCVEGCSA-N 0 1 239.315 2.217 20 0 BEADMN C[C@H]1CCCCN1Cc1cnn(C)c1Cl ZINC000816481415 586735534 /nfs/dbraw/zinc/73/55/34/586735534.db2.gz VJVZUKYZBVRUQQ-VIFPVBQESA-N 0 1 227.739 2.448 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1cnn(C)c1Cl ZINC000816488228 586735677 /nfs/dbraw/zinc/73/56/77/586735677.db2.gz MLCLLIGJHIWAPV-QMMMGPOBSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1CCCCN1Cc1cnn(C)c1Cl ZINC000816481414 586735768 /nfs/dbraw/zinc/73/57/68/586735768.db2.gz VJVZUKYZBVRUQQ-SECBINFHSA-N 0 1 227.739 2.448 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1cnn(C)c1Cl ZINC000816520039 586738136 /nfs/dbraw/zinc/73/81/36/586738136.db2.gz DPIZFRPOPHNLIR-RKDXNWHRSA-N 0 1 227.739 2.446 20 0 BEADMN C[C@H]1CN(Cc2cnn(C)c2Cl)C[C@H]1C ZINC000816513668 586738369 /nfs/dbraw/zinc/73/83/69/586738369.db2.gz YGCMRIBRRHVFEO-DTORHVGOSA-N 0 1 227.739 2.161 20 0 BEADMN CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000859809706 589062564 /nfs/dbraw/zinc/06/25/64/589062564.db2.gz XJFFZXWTHBDPMB-WCFLWFBJSA-N 0 1 237.343 2.385 20 0 BEADMN Cc1sccc1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000859810522 589062893 /nfs/dbraw/zinc/06/28/93/589062893.db2.gz QAPSOJGMEUTXQU-LLVKDONJSA-N 0 1 243.303 2.055 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000859810754 589062953 /nfs/dbraw/zinc/06/29/53/589062953.db2.gz ATLAXRDFBKBQKF-NQBHXWOUSA-N 0 1 243.322 2.311 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@H](C)[C@H]1C ZINC000816646608 586748614 /nfs/dbraw/zinc/74/86/14/586748614.db2.gz GJAOSUBHOIDDFS-WCBMZHEXSA-N 0 1 208.280 2.369 20 0 BEADMN Cc1cc(C)n2c(CN3C[C@H](C)[C@H]3C)cnc2n1 ZINC000816647676 586750076 /nfs/dbraw/zinc/75/00/76/586750076.db2.gz WRZTXYAJCPIFJH-JOYOIKCWSA-N 0 1 244.342 2.186 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1nn(C)c2ccccc12 ZINC000816647778 586750738 /nfs/dbraw/zinc/75/07/38/586750738.db2.gz YAVLQNTYUDLLJZ-WDEREUQCSA-N 0 1 229.327 2.414 20 0 BEADMN C[C@H]1CN(Cc2cccc3c2OCO3)[C@H]1C ZINC000816649153 586751597 /nfs/dbraw/zinc/75/15/97/586751597.db2.gz VAHFYSHMXFGVJS-UWVGGRQHSA-N 0 1 219.284 2.256 20 0 BEADMN C[C@@H](NC(=O)C=C1CC[C@H](C)C1)c1ncc[nH]1 ZINC000816719175 586759843 /nfs/dbraw/zinc/75/98/43/586759843.db2.gz RNCUQQQGLZHNIJ-BMNILSKHSA-N 0 1 233.315 2.333 20 0 BEADMN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCF ZINC000817279689 586792654 /nfs/dbraw/zinc/79/26/54/586792654.db2.gz SJHYSWNXZJXACZ-QWRGUYRKSA-N 0 1 245.338 2.398 20 0 BEADMN CCC1(CC)CCN(CN2CCCC2)C1=O ZINC000817360823 586799095 /nfs/dbraw/zinc/79/90/95/586799095.db2.gz VBICKTFDXHSBMV-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN CCn1ncc(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC000817414936 586802582 /nfs/dbraw/zinc/80/25/82/586802582.db2.gz MWIUHZITAXUZQJ-CYBMUJFWSA-N 0 1 248.374 2.310 20 0 BEADMN COC1([C@@H](C)NCc2ccon2)CCCC1 ZINC000817578262 586812718 /nfs/dbraw/zinc/81/27/18/586812718.db2.gz JIAUQEVGBSZDET-SNVBAGLBSA-N 0 1 224.304 2.112 20 0 BEADMN COC1([C@H](C)NCc2ccon2)CCCC1 ZINC000817578261 586812741 /nfs/dbraw/zinc/81/27/41/586812741.db2.gz JIAUQEVGBSZDET-JTQLQIEISA-N 0 1 224.304 2.112 20 0 BEADMN FCC[C@@H]1CN(CCc2cccs2)CCO1 ZINC000859903621 589069780 /nfs/dbraw/zinc/06/97/80/589069780.db2.gz NWXZFDYAMFLBFG-LLVKDONJSA-N 0 1 243.347 2.351 20 0 BEADMN C/C=C(\C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000818011709 586864378 /nfs/dbraw/zinc/86/43/78/586864378.db2.gz MECUKZNACBPKJO-RRIZPTRRSA-N 0 1 244.338 2.126 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C(C2CC2)C2CC2)n[nH]1 ZINC000840358464 586888365 /nfs/dbraw/zinc/88/83/65/586888365.db2.gz BJBQRLANMZCENE-ZETCQYMHSA-N 0 1 249.314 2.154 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)C=C1CCCC1 ZINC000818978297 586919296 /nfs/dbraw/zinc/91/92/96/586919296.db2.gz UMNHEMHMWDNACJ-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN CCc1cc(CNC[C@@H](O)c2ccccc2)on1 ZINC000819094812 586930608 /nfs/dbraw/zinc/93/06/08/586930608.db2.gz QAYQGZFXCXNUOX-CQSZACIVSA-N 0 1 246.310 2.060 20 0 BEADMN CCc1cc(CNC[C@H](O)c2ccccc2)on1 ZINC000819094810 586930871 /nfs/dbraw/zinc/93/08/71/586930871.db2.gz QAYQGZFXCXNUOX-AWEZNQCLSA-N 0 1 246.310 2.060 20 0 BEADMN Cc1oc2ccccc2c1C(=O)Nc1c[nH]nn1 ZINC000819493790 586969557 /nfs/dbraw/zinc/96/95/57/586969557.db2.gz HRSMOAHTJKJKIB-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CF)cc1 ZINC000819895209 587001160 /nfs/dbraw/zinc/00/11/60/587001160.db2.gz COGYNAIVFJWESR-SECBINFHSA-N 0 1 225.263 2.061 20 0 BEADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC000820023562 587013893 /nfs/dbraw/zinc/01/38/93/587013893.db2.gz RJCGALLOSDIKOE-HBNTYKKESA-N 0 1 249.358 2.312 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)CN1CCCC1 ZINC000820330471 587043953 /nfs/dbraw/zinc/04/39/53/587043953.db2.gz WROFBBBNVHOBNP-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H]([NH2+][C@H](C)c1nc(C)sc1C)C(=O)[O-] ZINC000820418732 587047574 /nfs/dbraw/zinc/04/75/74/587047574.db2.gz CTQDGGRUNSQYAW-HZGVNTEJSA-N 0 1 242.344 2.274 20 0 BEADMN CCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000820526380 587052622 /nfs/dbraw/zinc/05/26/22/587052622.db2.gz FUEXDEUXENPESU-LLVKDONJSA-N 0 1 249.358 2.211 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000820592101 587057090 /nfs/dbraw/zinc/05/70/90/587057090.db2.gz HULXYYHFLYCGCG-UHFFFAOYSA-N 0 1 243.347 2.129 20 0 BEADMN Cc1cnc(NC[C@H](c2ccco2)N(C)C)o1 ZINC000820604929 587058468 /nfs/dbraw/zinc/05/84/68/587058468.db2.gz NIUCPRYSOGUTJY-SNVBAGLBSA-N 0 1 235.287 2.291 20 0 BEADMN C[C@@H]1CN(C(=O)c2cccc(F)c2O)[C@H]1C ZINC000820650670 587062163 /nfs/dbraw/zinc/06/21/63/587062163.db2.gz NYYQYOJWQLTAFD-SFYZADRCSA-N 0 1 223.247 2.012 20 0 BEADMN COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)[O-])[C@H]2C ZINC000820853580 587077708 /nfs/dbraw/zinc/07/77/08/587077708.db2.gz MHJQJKOVTFFVDY-ZJUUUORDSA-N 0 1 249.310 2.087 20 0 BEADMN Cc1ccc([C@H]2CC[N@@H+](CCC(=O)[O-])C2)cc1 ZINC000821075617 587093798 /nfs/dbraw/zinc/09/37/98/587093798.db2.gz CUXOUXVINAQCOR-ZDUSSCGKSA-N 0 1 233.311 2.259 20 0 BEADMN Cc1cccc([C@@H]2CCC[N@H+]2CCCC(=O)[O-])n1 ZINC000821112020 587096417 /nfs/dbraw/zinc/09/64/17/587096417.db2.gz FVQKCGIQUDGFFA-ZDUSSCGKSA-N 0 1 248.326 2.392 20 0 BEADMN Cc1cccc([C@H]2CCC[N@H+]2CCCC(=O)[O-])n1 ZINC000821112018 587096774 /nfs/dbraw/zinc/09/67/74/587096774.db2.gz FVQKCGIQUDGFFA-CYBMUJFWSA-N 0 1 248.326 2.392 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@H]2CC[C@H](C)C2)n[nH]1 ZINC000840411623 587099465 /nfs/dbraw/zinc/09/94/65/587099465.db2.gz LWDWNOHNSRHYNH-NRPADANISA-N 0 1 237.303 2.154 20 0 BEADMN CC/C(C)=C(/C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840424231 587101018 /nfs/dbraw/zinc/10/10/18/587101018.db2.gz LNGSGHFJOHIGGW-UFGYOYAJSA-N 0 1 237.303 2.464 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C23CCC(CC2)C3)n[nH]1 ZINC000840440534 587103134 /nfs/dbraw/zinc/10/31/34/587103134.db2.gz OMZUILBDHXMEAE-LUHBLDKBSA-N 0 1 249.314 2.298 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000821300996 587106139 /nfs/dbraw/zinc/10/61/39/587106139.db2.gz FJTNVLSOBYMDMN-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@]1(C(=O)Nc2cccc3[nH]nnc32)C=CCC1 ZINC000821362847 587112300 /nfs/dbraw/zinc/11/23/00/587112300.db2.gz BSAKBTWASYPYCR-CYBMUJFWSA-N 0 1 242.282 2.253 20 0 BEADMN C[C@]1(C(=O)Nc2cccc3[nH]nnc32)C=CCC1 ZINC000821362850 587112398 /nfs/dbraw/zinc/11/23/98/587112398.db2.gz BSAKBTWASYPYCR-ZDUSSCGKSA-N 0 1 242.282 2.253 20 0 BEADMN O=C(OCCN1CCCCC1)C(F)=C1CCC1 ZINC000821370723 587113414 /nfs/dbraw/zinc/11/34/14/587113414.db2.gz KIFXYOUJQCZJAH-UHFFFAOYSA-N 0 1 241.306 2.423 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000821527873 587122359 /nfs/dbraw/zinc/12/23/59/587122359.db2.gz NLHJSIFLLCBZMV-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000821527871 587122370 /nfs/dbraw/zinc/12/23/70/587122370.db2.gz NLHJSIFLLCBZMV-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC000821509633 587123610 /nfs/dbraw/zinc/12/36/10/587123610.db2.gz SEPIDWQRQLZYJB-LBPRGKRZSA-N 0 1 237.274 2.205 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000821512048 587124323 /nfs/dbraw/zinc/12/43/23/587124323.db2.gz ZNFOXUCMKJAKNK-GFCCVEGCSA-N 0 1 244.294 2.074 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000821512050 587124335 /nfs/dbraw/zinc/12/43/35/587124335.db2.gz ZNFOXUCMKJAKNK-LBPRGKRZSA-N 0 1 244.294 2.074 20 0 BEADMN CCCc1ccc(C(=O)OCc2c[nH]nn2)cc1 ZINC000821585557 587130680 /nfs/dbraw/zinc/13/06/80/587130680.db2.gz PYAUYEFQMMCZFK-UHFFFAOYSA-N 0 1 245.282 2.114 20 0 BEADMN C/C=C\COC(=O)c1cc2[nH]cnc2cc1F ZINC000821621433 587132991 /nfs/dbraw/zinc/13/29/91/587132991.db2.gz RZYVFSWQTSPYKT-IHWYPQMZSA-N 0 1 234.230 2.435 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H]1CCC1(C)C)N(C)C ZINC000821834611 587142253 /nfs/dbraw/zinc/14/22/53/587142253.db2.gz XVHVMTMIZCXZTJ-WDEREUQCSA-N 0 1 227.348 2.304 20 0 BEADMN COC(=O)C1C[C@@H](C)N(C/C=C/Cl)[C@@H](C)C1 ZINC000860184087 589088094 /nfs/dbraw/zinc/08/80/94/589088094.db2.gz BFTLXQGCZSULIT-ZOGGGPTHSA-N 0 1 245.750 2.401 20 0 BEADMN CCC[C@@H](CC)C(=O)NCCN1CC=CCC1 ZINC000822583497 587176572 /nfs/dbraw/zinc/17/65/72/587176572.db2.gz OQWDALWOUWKUTA-CYBMUJFWSA-N 0 1 238.375 2.191 20 0 BEADMN Cc1cncc(-c2noc([C@H]3CCCCN3)n2)c1 ZINC000822705724 587182393 /nfs/dbraw/zinc/18/23/93/587182393.db2.gz FQRRZZURUSCCPR-LLVKDONJSA-N 0 1 244.298 2.255 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCCCN3)n2)cn1 ZINC000822723184 587182780 /nfs/dbraw/zinc/18/27/80/587182780.db2.gz SSXVUFRXZLDQOS-NSHDSACASA-N 0 1 244.298 2.255 20 0 BEADMN C[C@@H](NC(=O)CN1CCCC1)c1ccsc1 ZINC000822746796 587183727 /nfs/dbraw/zinc/18/37/27/587183727.db2.gz XPZGOVAYVGTQFG-SNVBAGLBSA-N 0 1 238.356 2.021 20 0 BEADMN C1[C@@H]2C[C@@H](c3nc([C@@H]4CCCS4)no3)N[C@H]12 ZINC000822842256 587188651 /nfs/dbraw/zinc/18/86/51/587188651.db2.gz ZOYSHUHMERIZII-HXFLIBJXSA-N 0 1 237.328 2.061 20 0 BEADMN CCS[C@@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822870322 587190299 /nfs/dbraw/zinc/19/02/99/587190299.db2.gz SPASDWQAVWALEC-KDXUFGMBSA-N 0 1 239.344 2.307 20 0 BEADMN CC(C)(CCNC(=O)CN1CCCC1)C1CC1 ZINC000823201678 587208029 /nfs/dbraw/zinc/20/80/29/587208029.db2.gz BMPRJGDZWAGYEN-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC000823293118 587214236 /nfs/dbraw/zinc/21/42/36/587214236.db2.gz VEDSLVHIIWSNMX-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@@H](NC(=O)CN1CCCC1)C(C)(C)C ZINC000823321189 587216469 /nfs/dbraw/zinc/21/64/69/587216469.db2.gz BABRHAHEQMPBDA-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCC1(NC(=O)CN2CCCC2)CCCCC1 ZINC000823374763 587218339 /nfs/dbraw/zinc/21/83/39/587218339.db2.gz ZCHHEVLBJUITCM-UHFFFAOYSA-N 0 1 238.375 2.311 20 0 BEADMN CCn1nc(C)c(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000823379463 587218632 /nfs/dbraw/zinc/21/86/32/587218632.db2.gz KYYDIXOUCHHDES-PHIMTYICSA-N 0 1 236.363 2.369 20 0 BEADMN CCN(Cc1nn(CC)nc1C)C1CCCC1 ZINC000823399568 587219589 /nfs/dbraw/zinc/21/95/89/587219589.db2.gz JOJKBOJDJBQNGZ-UHFFFAOYSA-N 0 1 236.363 2.371 20 0 BEADMN CCn1nc(C)c(CN2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000823453790 587223258 /nfs/dbraw/zinc/22/32/58/587223258.db2.gz ZRMSWTIETMAZOC-STQMWFEESA-N 0 1 248.374 2.228 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nn(CC)nc1C ZINC000823477359 587225004 /nfs/dbraw/zinc/22/50/04/587225004.db2.gz RAYVBFUIINQPDW-LLVKDONJSA-N 0 1 238.379 2.474 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nn(CC)nc1C ZINC000823477360 587225205 /nfs/dbraw/zinc/22/52/05/587225205.db2.gz RAYVBFUIINQPDW-NSHDSACASA-N 0 1 238.379 2.474 20 0 BEADMN Fc1c(CNC[C@H]2CCCO2)ccnc1Cl ZINC000823584723 587232043 /nfs/dbraw/zinc/23/20/43/587232043.db2.gz LKYUANOFZGHUFU-SECBINFHSA-N 0 1 244.697 2.143 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C[C@H]1CC=CCC1 ZINC000823633908 587233666 /nfs/dbraw/zinc/23/36/66/587233666.db2.gz DOTINLRMIMEAIC-LBPRGKRZSA-N 0 1 247.342 2.423 20 0 BEADMN CO[C@H](CNCc1ccncc1C)C(F)(F)F ZINC000823836699 587242117 /nfs/dbraw/zinc/24/21/17/587242117.db2.gz LFULPRTZYVOPFX-SNVBAGLBSA-N 0 1 248.248 2.057 20 0 BEADMN C[C@]1(CNCc2cc(F)ncc2F)CCCO1 ZINC000824012417 587247946 /nfs/dbraw/zinc/24/79/46/587247946.db2.gz ZKKPNDCOXCBFOC-GFCCVEGCSA-N 0 1 242.269 2.019 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824039309 587250863 /nfs/dbraw/zinc/25/08/63/587250863.db2.gz UMDQWGJRMXNKTA-NWDGAFQWSA-N 0 1 240.347 2.321 20 0 BEADMN CC(C)=CC[N@H+](C)C1CCC(NC(=O)[O-])CC1 ZINC000824038862 587250872 /nfs/dbraw/zinc/25/08/72/587250872.db2.gz OFRBCZFYVZEGJM-UHFFFAOYSA-N 0 1 240.347 2.463 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824039312 587250874 /nfs/dbraw/zinc/25/08/74/587250874.db2.gz UMDQWGJRMXNKTA-VXGBXAGGSA-N 0 1 240.347 2.321 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C1/CC[C@H](C)C1 ZINC000824050900 587251814 /nfs/dbraw/zinc/25/18/14/587251814.db2.gz LPYMCKSNNACCFN-BZPKPHBRSA-N 0 1 247.342 2.423 20 0 BEADMN CCC/C=C/C(=O)N(C)Cc1cn[nH]c1C ZINC000824050338 587251894 /nfs/dbraw/zinc/25/18/94/587251894.db2.gz BKZFZAJJMDGMDZ-VOTSOKGWSA-N 0 1 221.304 2.033 20 0 BEADMN CC(C)[C@@H](CC[N@@H+](C)C/C=C/Cl)NC(=O)[O-] ZINC000824098683 587255559 /nfs/dbraw/zinc/25/55/59/587255559.db2.gz KXDNTTOFCDDGID-DFVUYQKZSA-N 0 1 248.754 2.353 20 0 BEADMN CC(C)CC[C@@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000824231819 587261808 /nfs/dbraw/zinc/26/18/08/587261808.db2.gz MXFYGIDPGDSXOL-NSHDSACASA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)C[N@@H+](CCNC(=O)[O-])C1CCCC1 ZINC000824252298 587263206 /nfs/dbraw/zinc/26/32/06/587263206.db2.gz YKBBUPJJFWIJSN-UHFFFAOYSA-N 0 1 228.336 2.155 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1nn(CC)nc1C ZINC000824395645 587269214 /nfs/dbraw/zinc/26/92/14/587269214.db2.gz IBUCDTFEJUWMKG-CMPLNLGQSA-N 0 1 236.363 2.369 20 0 BEADMN CCC(C)(C)[C@@H](C)NC(=O)CN1CCCC1 ZINC000824408072 587269589 /nfs/dbraw/zinc/26/95/89/587269589.db2.gz JOXFVOGMRKBEIK-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H](CNCc1ccnc(Cl)c1F)OC ZINC000824417208 587269881 /nfs/dbraw/zinc/26/98/81/587269881.db2.gz RPBYNCZFSPGRCQ-VIFPVBQESA-N 0 1 246.713 2.389 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000824629849 587280283 /nfs/dbraw/zinc/28/02/83/587280283.db2.gz ZTUZHMDJFKNXOY-WCFLWFBJSA-N 0 1 247.342 2.194 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@@H]2C2CC2)s1 ZINC000824651368 587280837 /nfs/dbraw/zinc/28/08/37/587280837.db2.gz ZERNEWAXFUDPMJ-GZMMTYOYSA-N 0 1 238.356 2.181 20 0 BEADMN O=C(C[C@@H]1CC=CCC1)N1CC(N2CCCC2)C1 ZINC000824865943 587290948 /nfs/dbraw/zinc/29/09/48/587290948.db2.gz KUXNZBMKGLZBBI-CYBMUJFWSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@@H]([N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1)C1(C)CC1 ZINC000825056533 587300442 /nfs/dbraw/zinc/30/04/42/587300442.db2.gz QIZFVTLEJYTJMO-MNOVXSKESA-N 0 1 240.347 2.107 20 0 BEADMN CCc1nc(CN[C@@H](C)CCn2cccn2)co1 ZINC000825055907 587300781 /nfs/dbraw/zinc/30/07/81/587300781.db2.gz CCURVBRJRHSHSQ-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN CCc1ncc(CNC[C@H]2CCC=CO2)o1 ZINC000825079107 587302647 /nfs/dbraw/zinc/30/26/47/587302647.db2.gz LTDZBZPDOKDDAR-SNVBAGLBSA-N 0 1 222.288 2.019 20 0 BEADMN CCn1nc(C)c(CNC2(C3(C)CC3)CC2)n1 ZINC000825124869 587305615 /nfs/dbraw/zinc/30/56/15/587305615.db2.gz ZVDSDPGRIBMKLD-UHFFFAOYSA-N 0 1 234.347 2.029 20 0 BEADMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000825267127 587312110 /nfs/dbraw/zinc/31/21/10/587312110.db2.gz XLWDPQWOACZBMH-ZYHUDNBSSA-N 0 1 240.347 2.155 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC[C@H]2C[C@H]2C1 ZINC000825605725 587326909 /nfs/dbraw/zinc/32/69/09/587326909.db2.gz NNEGMHYJMNBISN-IUCAKERBSA-N 0 1 235.258 2.013 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCCCC1CC1 ZINC000825662236 587329825 /nfs/dbraw/zinc/32/98/25/587329825.db2.gz SYRYACWQXCYOBT-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN CC(C)[C@H]1CCCC[N@H+]1CCCC(=O)[O-] ZINC000117432115 589096004 /nfs/dbraw/zinc/09/60/04/589096004.db2.gz ZUCCXZMTYADADP-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CCCN1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC000825688719 587332432 /nfs/dbraw/zinc/33/24/32/587332432.db2.gz UFYIGYBYWBMHSU-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729693 587333907 /nfs/dbraw/zinc/33/39/07/587333907.db2.gz KUJREZMTZQPUTB-BRNRAETOSA-N 0 1 249.310 2.416 20 0 BEADMN COc1cncc(CN2CC(C(C)C)C2)c1 ZINC000825737614 587335668 /nfs/dbraw/zinc/33/56/68/587335668.db2.gz CBQPNDKFLXIYDO-UHFFFAOYSA-N 0 1 220.316 2.178 20 0 BEADMN C/C(=C/C[N@H+]1CC[C@@H](c2ccco2)C1)C(=O)[O-] ZINC000825736195 587335853 /nfs/dbraw/zinc/33/58/53/587335853.db2.gz WDGQJJDZAAGCTC-NEOSZVFXSA-N 0 1 235.283 2.100 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742013 587335866 /nfs/dbraw/zinc/33/58/66/587335866.db2.gz VCMXFJAOBFCJTG-XTOZHPGHSA-N 0 1 234.299 2.183 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000825736457 587335922 /nfs/dbraw/zinc/33/59/22/587335922.db2.gz ZJNZZWDUMMEUNA-HJTPGIPUSA-N 0 1 231.295 2.464 20 0 BEADMN C[C@@H]1C[C@@H](NC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000825843492 587340952 /nfs/dbraw/zinc/34/09/52/587340952.db2.gz AHFVFEQPSWLWSQ-YPMHNXCESA-N 0 1 248.326 2.307 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)C1 ZINC000825865287 587342565 /nfs/dbraw/zinc/34/25/65/587342565.db2.gz HUJVYIPFIYHVAP-GRYCIOLGSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000825873327 587343003 /nfs/dbraw/zinc/34/30/03/587343003.db2.gz UNSRPOHCOJEVAM-PHIMTYICSA-N 0 1 240.347 2.249 20 0 BEADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000826727418 587360173 /nfs/dbraw/zinc/36/01/73/587360173.db2.gz DWZGECFVXCMHTK-GHMZBOCLSA-N 0 1 228.336 2.155 20 0 BEADMN CCCCC[N@@H+](CCNC(=O)[O-])C(C)C ZINC000826820939 587363523 /nfs/dbraw/zinc/36/35/23/587363523.db2.gz QIQPHRMACJZGFZ-UHFFFAOYSA-N 0 1 216.325 2.155 20 0 BEADMN CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826837314 587363801 /nfs/dbraw/zinc/36/38/01/587363801.db2.gz XBGKFIZQYJKPGZ-MNOVXSKESA-N 0 1 228.336 2.155 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC(CC2CC2)C1 ZINC000826864321 587364493 /nfs/dbraw/zinc/36/44/93/587364493.db2.gz PBLYWLGEJMNGAR-UHFFFAOYSA-N 0 1 249.285 2.403 20 0 BEADMN CC/C(C)=C\C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000826937812 587366214 /nfs/dbraw/zinc/36/62/14/587366214.db2.gz NJEDQZWOCUFTIB-FLIBITNWSA-N 0 1 247.342 2.472 20 0 BEADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000827017578 587368184 /nfs/dbraw/zinc/36/81/84/587368184.db2.gz ZXZAALKZHIZEFE-LLVKDONJSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)N(CC[S@@](C)=O)Cc1cccs1 ZINC000827486664 587382597 /nfs/dbraw/zinc/38/25/97/587382597.db2.gz MQYKIXGKIOQROR-OAHLLOKOSA-N 0 1 245.413 2.337 20 0 BEADMN CC/C=C(\F)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827491135 587382783 /nfs/dbraw/zinc/38/27/83/587382783.db2.gz MNVJHMOTZZPERM-HUMZTAOYSA-N 0 1 242.338 2.048 20 0 BEADMN CCO[C@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000827930981 587410652 /nfs/dbraw/zinc/41/06/52/587410652.db2.gz SIHYUFKSLYYHGH-AWEZNQCLSA-N 0 1 241.375 2.493 20 0 BEADMN CC(C)CC(=O)CCN1CCOC(C)(C)[C@@H]1C ZINC000828011443 587415911 /nfs/dbraw/zinc/41/59/11/587415911.db2.gz HGHWGUOJKXCQIR-LBPRGKRZSA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)CC(=O)CCN1CCOCC2(CC2)C1 ZINC000828212295 587424047 /nfs/dbraw/zinc/42/40/47/587424047.db2.gz RFEFITPUHUFUHG-UHFFFAOYSA-N 0 1 239.359 2.104 20 0 BEADMN CN(C[C@H]1CCC[N@H+]1CC1CCCC1)C(=O)[O-] ZINC000828222732 587425340 /nfs/dbraw/zinc/42/53/40/587425340.db2.gz DJALMWGLQXLUCS-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828272676 587430058 /nfs/dbraw/zinc/43/00/58/587430058.db2.gz HTMSVHKOPMJMOR-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@H]1C ZINC000828604238 587452757 /nfs/dbraw/zinc/45/27/57/587452757.db2.gz YKYMBTMRMWZVQN-SKDRFNHKSA-N 0 1 219.284 2.426 20 0 BEADMN CC(C)O[C@@H]1CCN(C/C=C\Cl)C1 ZINC000828851013 587466452 /nfs/dbraw/zinc/46/64/52/587466452.db2.gz VKYCIKPPGNUMQT-TZGMSPROSA-N 0 1 203.713 2.238 20 0 BEADMN CC[C@H](C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829099202 587482781 /nfs/dbraw/zinc/48/27/81/587482781.db2.gz BDPXDZGESVUGSB-JTQLQIEISA-N 0 1 247.342 2.220 20 0 BEADMN O=C(NC[C@@H]1C=CCC1)c1cccc(F)c1O ZINC000829149258 587485063 /nfs/dbraw/zinc/48/50/63/587485063.db2.gz CZSXASCISPVNCT-SECBINFHSA-N 0 1 235.258 2.227 20 0 BEADMN CCC(C)=CC(=O)N[C@H](CC)c1ncc[nH]1 ZINC000829542040 587503052 /nfs/dbraw/zinc/50/30/52/587503052.db2.gz FJKDGXAJDDHDNC-AAXQSMANSA-N 0 1 221.304 2.333 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1csc(Cl)n1 ZINC000829957329 587529994 /nfs/dbraw/zinc/52/99/94/587529994.db2.gz GJFYJFLVASILFA-SNVBAGLBSA-N 0 1 248.779 2.293 20 0 BEADMN CCCc1ccccc1C(=O)NC[C@H]1CCN1C ZINC000830136328 587538002 /nfs/dbraw/zinc/53/80/02/587538002.db2.gz WXCPJXOCFZXJSS-CYBMUJFWSA-N 0 1 246.354 2.073 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N[C@@H]1CCCN(C)C1 ZINC000830151409 587539432 /nfs/dbraw/zinc/53/94/32/587539432.db2.gz WGQODYBBKGNTBU-NWDGAFQWSA-N 0 1 242.363 2.241 20 0 BEADMN CCOC(CN1CCC[C@](C)(F)C1)OCC ZINC000830211766 587541016 /nfs/dbraw/zinc/54/10/16/587541016.db2.gz BVPUQNYVVAVJJI-LBPRGKRZSA-N 0 1 233.327 2.210 20 0 BEADMN CCC(=O)CCN1CCC[C@@](C)(F)C1 ZINC000830212110 587541127 /nfs/dbraw/zinc/54/11/27/587541127.db2.gz JZJLKSUSFAMDLL-LLVKDONJSA-N 0 1 201.285 2.180 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C(C)(C)C ZINC000830546495 587557017 /nfs/dbraw/zinc/55/70/17/587557017.db2.gz ZIESBFQRTMEOLD-SECBINFHSA-N 0 1 201.310 2.058 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000830553527 587558007 /nfs/dbraw/zinc/55/80/07/587558007.db2.gz IVUFAMGNXNPMPO-NEPJUHHUSA-N 0 1 248.326 2.398 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000830553530 587558054 /nfs/dbraw/zinc/55/80/54/587558054.db2.gz IVUFAMGNXNPMPO-VXGBXAGGSA-N 0 1 248.326 2.398 20 0 BEADMN Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)[O-])C1 ZINC000830560386 587558603 /nfs/dbraw/zinc/55/86/03/587558603.db2.gz WRORRXFBJRQORC-GFCCVEGCSA-N 0 1 248.326 2.052 20 0 BEADMN CCc1nc(COC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000830787833 587570394 /nfs/dbraw/zinc/57/03/94/587570394.db2.gz KARNUTGXVIDHMA-BQYQJAHWSA-N 0 1 249.314 2.157 20 0 BEADMN FCCN1CCC[C@H]1COc1ccccc1 ZINC000830872299 587574641 /nfs/dbraw/zinc/57/46/41/587574641.db2.gz AQTHXTCEFLCXIE-LBPRGKRZSA-N 0 1 223.291 2.499 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000832572573 587667802 /nfs/dbraw/zinc/66/78/02/587667802.db2.gz DXCWLPRPDYEXQT-LBPRGKRZSA-N 0 1 240.347 2.299 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000833172618 587700950 /nfs/dbraw/zinc/70/09/50/587700950.db2.gz KNDQCHOFUPWYFJ-BIMULSAOSA-N 0 1 249.285 2.436 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)c1ccccn1)C(=O)[O-] ZINC000833382755 587711806 /nfs/dbraw/zinc/71/18/06/587711806.db2.gz LMSYBHIZJNTGIU-BRNRAETOSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C/C[N@H+](C)[C@H](C)c1ccccn1)C(=O)[O-] ZINC000833382761 587711995 /nfs/dbraw/zinc/71/19/95/587711995.db2.gz LMSYBHIZJNTGIU-ZJRUKIMVSA-N 0 1 234.299 2.105 20 0 BEADMN C/C(=C\C[N@@H+](Cc1ccccn1)C1CC1)C(=O)[O-] ZINC000833385576 587712751 /nfs/dbraw/zinc/71/27/51/587712751.db2.gz VZMSDGMDKXXEQQ-YRNVUSSQSA-N 0 1 246.310 2.077 20 0 BEADMN C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000833386377 587713246 /nfs/dbraw/zinc/71/32/46/587713246.db2.gz OYFKCBUOHAJFLX-UQTJOTSZSA-N 0 1 245.322 2.496 20 0 BEADMN C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549777 587719545 /nfs/dbraw/zinc/71/95/45/587719545.db2.gz OFQHEBLFOHCOGB-VIFPVBQESA-N 0 1 248.282 2.499 20 0 BEADMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549777 587719546 /nfs/dbraw/zinc/71/95/46/587719546.db2.gz OFQHEBLFOHCOGB-VIFPVBQESA-N 0 1 248.282 2.499 20 0 BEADMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+]2[C@H](C)CC[C@@H]2C)O1 ZINC000833579161 587720885 /nfs/dbraw/zinc/72/08/85/587720885.db2.gz AVWQRGFRWREXHB-NGZCFLSTSA-N 0 1 239.315 2.007 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833611977 587724122 /nfs/dbraw/zinc/72/41/22/587724122.db2.gz LRLKWRXNJNUGMY-JTQLQIEISA-N 0 1 236.315 2.477 20 0 BEADMN C[C@H]1CCCCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833610657 587724182 /nfs/dbraw/zinc/72/41/82/587724182.db2.gz GBAQYPGEIJBMSB-JTQLQIEISA-N 0 1 236.315 2.477 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833613875 587724300 /nfs/dbraw/zinc/72/43/00/587724300.db2.gz JGWOSKFETGWCSF-SNVBAGLBSA-N 0 1 236.315 2.335 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@H]1C ZINC000833613215 587724305 /nfs/dbraw/zinc/72/43/05/587724305.db2.gz FONQEDZYSNJVFX-UWVGGRQHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)[O-] ZINC000833631156 587725611 /nfs/dbraw/zinc/72/56/11/587725611.db2.gz ACCYGTDDBYYDDU-RKDXNWHRSA-N 0 1 237.274 2.218 20 0 BEADMN CCC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CC1 ZINC000833651386 587727014 /nfs/dbraw/zinc/72/70/14/587727014.db2.gz ZVASCXDOLBCLHP-NSHDSACASA-N 0 1 239.315 2.008 20 0 BEADMN CCc1ncc(C[N@@H+](CC)CCC(=O)[O-])s1 ZINC000833677535 587727727 /nfs/dbraw/zinc/72/77/27/587727727.db2.gz SMDRNXWCQCGYTD-UHFFFAOYSA-N 0 1 242.344 2.002 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CC2)c[nH]1 ZINC000833778883 587731168 /nfs/dbraw/zinc/73/11/68/587731168.db2.gz GPGTVIGTHJSNDE-GFCCVEGCSA-N 0 1 234.299 2.087 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c[nH]1 ZINC000833778630 587731349 /nfs/dbraw/zinc/73/13/49/587731349.db2.gz DDWZGIZNHLKPLS-CYBMUJFWSA-N 0 1 248.326 2.477 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833793141 587732412 /nfs/dbraw/zinc/73/24/12/587732412.db2.gz AGWAPNOGAFRHCN-QWRGUYRKSA-N 0 1 228.336 2.153 20 0 BEADMN O=C([O-])NCC[N@H+]1CCCC12CCCCC2 ZINC000834239203 587749878 /nfs/dbraw/zinc/74/98/78/587749878.db2.gz GWKXBQGMOWMXMP-UHFFFAOYSA-N 0 1 226.320 2.053 20 0 BEADMN O=C(NCCC1CCC1)c1cccc2nc[nH]c21 ZINC000834313294 587751214 /nfs/dbraw/zinc/75/12/14/587751214.db2.gz HJKILQAXVLKURC-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN CCn1ccnc1[C@@H](C)NCCOC1CCC1 ZINC000834727122 587764943 /nfs/dbraw/zinc/76/49/43/587764943.db2.gz ZMSIBFYGVLHVBU-LLVKDONJSA-N 0 1 237.347 2.123 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@]2(C)CCCO2)co1 ZINC000834900618 587769585 /nfs/dbraw/zinc/76/95/85/587769585.db2.gz WEABXWWADQMNJO-GWCFXTLKSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@@]2(C)CCCO2)co1 ZINC000834900619 587769774 /nfs/dbraw/zinc/76/97/74/587769774.db2.gz WEABXWWADQMNJO-GXFFZTMASA-N 0 1 238.331 2.284 20 0 BEADMN CCC1CN(Cc2cccc3nccn32)C1 ZINC000835074084 587780195 /nfs/dbraw/zinc/78/01/95/587780195.db2.gz GYEDYGBODJYHJW-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCc1nc(COC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000835291777 587794870 /nfs/dbraw/zinc/79/48/70/587794870.db2.gz RUJWVPHMXNAEHX-ZDUSSCGKSA-N 0 1 249.314 2.157 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CC(F)(F)C1)N(C)C ZINC000835487050 587804685 /nfs/dbraw/zinc/80/46/85/587804685.db2.gz FMRMKURKFAPEAI-SNVBAGLBSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H](CC(C)(C)C)OC(=O)CCc1nc[nH]n1 ZINC000835702441 587813480 /nfs/dbraw/zinc/81/34/80/587813480.db2.gz AZKPQYKBUPVMTB-VIFPVBQESA-N 0 1 239.319 2.105 20 0 BEADMN C=COc1ccc(NC(=O)CN(C)CCC)cc1 ZINC000837761603 587894324 /nfs/dbraw/zinc/89/43/24/587894324.db2.gz QMANYBMCMBNDMH-UHFFFAOYSA-N 0 1 248.326 2.489 20 0 BEADMN C=COc1ccc(NC(=O)CN(CC)CC)cc1 ZINC000837762019 587894329 /nfs/dbraw/zinc/89/43/29/587894329.db2.gz WRYOKHNWCLTGHS-UHFFFAOYSA-N 0 1 248.326 2.489 20 0 BEADMN CC(C)=C(C)C(=O)NCc1ccc2cncn2c1 ZINC000837859487 587900383 /nfs/dbraw/zinc/90/03/83/587900383.db2.gz QKPLDFGBXUXKKL-UHFFFAOYSA-N 0 1 243.310 2.307 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000840564387 587911862 /nfs/dbraw/zinc/91/18/62/587911862.db2.gz FFJDHZQMEZWBRX-ZETCQYMHSA-N 0 1 237.303 2.154 20 0 BEADMN CC/C(C)=C/C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840581948 587912835 /nfs/dbraw/zinc/91/28/35/587912835.db2.gz XQICGYGRDXNCIM-CZEYKFRCSA-N 0 1 223.276 2.074 20 0 BEADMN COc1ccc(CNc2nccn2C2CC2)cn1 ZINC000840887294 587928358 /nfs/dbraw/zinc/92/83/58/587928358.db2.gz WBSFNEJZZGSWKR-UHFFFAOYSA-N 0 1 244.298 2.234 20 0 BEADMN CCCN(Cc1ccccc1)CN1CCCC1=O ZINC000104052332 587929211 /nfs/dbraw/zinc/92/92/11/587929211.db2.gz HLNFGJGFMPNSLU-UHFFFAOYSA-N 0 1 246.354 2.479 20 0 BEADMN Cc1ccc(CNCC(C)(C)C(F)(F)F)nn1 ZINC000840942794 587931450 /nfs/dbraw/zinc/93/14/50/587931450.db2.gz FLPDNSWJPPYNHZ-UHFFFAOYSA-N 0 1 247.264 2.463 20 0 BEADMN Cc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996034 587933728 /nfs/dbraw/zinc/93/37/28/587933728.db2.gz GPSAVTNAEYYNJJ-GXTWGEPZSA-N 0 1 247.338 2.475 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000841890307 587982271 /nfs/dbraw/zinc/98/22/71/587982271.db2.gz MSMFDCGVLLHBLK-JBLDHEPKSA-N 0 1 236.363 2.083 20 0 BEADMN CC[C@H](COC(=O)[C@H](CC)N(CC)CC)OC ZINC000842079516 587996688 /nfs/dbraw/zinc/99/66/88/587996688.db2.gz ARDHSUPKJVIZNC-NEPJUHHUSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)c1ocnc1-c1nc(C2(N)CCC2)no1 ZINC000842616995 588045606 /nfs/dbraw/zinc/04/56/06/588045606.db2.gz FBUINQZRGZFBKQ-UHFFFAOYSA-N 0 1 248.286 2.186 20 0 BEADMN CCC[C@@](C)(N)c1nc(-c2cccc(N)c2)no1 ZINC000842623071 588046490 /nfs/dbraw/zinc/04/64/90/588046490.db2.gz SNNPRIODRLEYDC-CYBMUJFWSA-N 0 1 246.314 2.293 20 0 BEADMN C[C@@H](c1nc([C@@H]2CCCN2)no1)c1ccccn1 ZINC000842637080 588047524 /nfs/dbraw/zinc/04/75/24/588047524.db2.gz QEUCDYTVMUQWDW-KOLCDFICSA-N 0 1 244.298 2.041 20 0 BEADMN CC(C)c1ocnc1-c1nc([C@@H]2CCCN2)no1 ZINC000842642199 588048317 /nfs/dbraw/zinc/04/83/17/588048317.db2.gz ZHLBOQGSBVTJTP-QMMMGPOBSA-N 0 1 248.286 2.273 20 0 BEADMN CC(C)[C@H](N)c1noc(-c2ccn(C(C)C)n2)n1 ZINC000843149263 588087350 /nfs/dbraw/zinc/08/73/50/588087350.db2.gz LBNAOXHDCBOCJM-JTQLQIEISA-N 0 1 249.318 2.170 20 0 BEADMN CC(C)[C@@H](N)c1noc(CCC2CCC2)n1 ZINC000843149211 588087514 /nfs/dbraw/zinc/08/75/14/588087514.db2.gz JMTOVSIFUZLWGJ-LLVKDONJSA-N 0 1 223.320 2.458 20 0 BEADMN CC(C)[C@@H](N)c1noc(C[C@H](C)C2CC2)n1 ZINC000843149041 588087544 /nfs/dbraw/zinc/08/75/44/588087544.db2.gz IIUDIWBQPXUDNS-GZMMTYOYSA-N 0 1 223.320 2.314 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H](C)c2ccco2)n1 ZINC000843149410 588087611 /nfs/dbraw/zinc/08/76/11/588087611.db2.gz MPCMOHFWQLAUAS-WPRPVWTQSA-N 0 1 235.287 2.470 20 0 BEADMN CC[C@@H](C)OCc1nc([C@@H](N)C(C)C)no1 ZINC000843150148 588087615 /nfs/dbraw/zinc/08/76/15/588087615.db2.gz HHTKMVGUYOVOBW-SCZZXKLOSA-N 0 1 227.308 2.041 20 0 BEADMN CNCc1nc(-c2ccc(CSC)cc2)no1 ZINC000843181307 588090035 /nfs/dbraw/zinc/09/00/35/588090035.db2.gz AGHANILTEMLBFL-UHFFFAOYSA-N 0 1 249.339 2.319 20 0 BEADMN C[C@@H](c1noc(-c2ccc(CN)o2)n1)C1CC1 ZINC000843194826 588092343 /nfs/dbraw/zinc/09/23/43/588092343.db2.gz LXKQVVFYIDNEIT-SSDOTTSWSA-N 0 1 233.271 2.302 20 0 BEADMN Cc1ccc(-c2noc(CNCC3CC3)n2)o1 ZINC000843217371 588093563 /nfs/dbraw/zinc/09/35/63/588093563.db2.gz OOOPFZMZHJHWQM-UHFFFAOYSA-N 0 1 233.271 2.138 20 0 BEADMN CCc1cc(CNC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000843796741 588140661 /nfs/dbraw/zinc/14/06/61/588140661.db2.gz VEDWGTOOYULBNY-BQYQJAHWSA-N 0 1 247.342 2.335 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)C1(F)CC1 ZINC000843903444 588149689 /nfs/dbraw/zinc/14/96/89/588149689.db2.gz NJCRWHWFVHNGIW-UHFFFAOYSA-N 0 1 231.173 2.111 20 0 BEADMN CCON(C(=O)c1cccc2[nH]cnc21)C(C)C ZINC000844075068 588160094 /nfs/dbraw/zinc/16/00/94/588160094.db2.gz FBQZKCCICHAHQC-UHFFFAOYSA-N 0 1 247.298 2.365 20 0 BEADMN CCCONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000844088443 588165965 /nfs/dbraw/zinc/16/59/65/588165965.db2.gz PXGDBFXCBUQQPD-GFCCVEGCSA-N 0 1 247.294 2.205 20 0 BEADMN CC(C)C(N)=NOCC=C(Cl)Cl ZINC000844238911 588176567 /nfs/dbraw/zinc/17/65/67/588176567.db2.gz MEXNXPSOCLPYPX-UHFFFAOYSA-N 0 1 211.092 2.460 20 0 BEADMN CCN(Cc1cc2n(n1)CCCC2)C(C)C ZINC000844278914 588179743 /nfs/dbraw/zinc/17/97/43/588179743.db2.gz LFBKMJHERUXVIS-UHFFFAOYSA-N 0 1 221.348 2.450 20 0 BEADMN CC/C=C(/F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000867352922 588185736 /nfs/dbraw/zinc/18/57/36/588185736.db2.gz TZEKUYATMYIJCZ-BJMVGYQFSA-N 0 1 237.278 2.350 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC12CCCC2 ZINC000844357817 588187530 /nfs/dbraw/zinc/18/75/30/588187530.db2.gz FTEHNYKKYFVGOQ-LLVKDONJSA-N 0 1 225.332 2.347 20 0 BEADMN CCN(C/C=C/Cl)[C@@H]1CCCOC1 ZINC000844403551 588189826 /nfs/dbraw/zinc/18/98/26/588189826.db2.gz GLNQPUGLZJRCSP-DFVUYQKZSA-N 0 1 203.713 2.240 20 0 BEADMN CCN(Cc1ccc(F)cn1)[C@H]1CCCOC1 ZINC000844400854 588189906 /nfs/dbraw/zinc/18/99/06/588189906.db2.gz FZFQRMNSMZPNKQ-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@@](C)(NC(=O)C(F)F)C(F)(F)F ZINC000844409312 588189972 /nfs/dbraw/zinc/18/99/72/588189972.db2.gz YFINZQALQUEQAF-ZCFIWIBFSA-N 0 1 219.153 2.099 20 0 BEADMN CC[C@](C)(NC(=O)C(F)F)C(F)(F)F ZINC000844409311 588190713 /nfs/dbraw/zinc/19/07/13/588190713.db2.gz YFINZQALQUEQAF-LURJTMIESA-N 0 1 219.153 2.099 20 0 BEADMN C[C@](NC(=O)C(F)F)(C1CC1)C(F)(F)F ZINC000844413781 588190990 /nfs/dbraw/zinc/19/09/90/588190990.db2.gz WIUHBNMMVVAEJJ-ZETCQYMHSA-N 0 1 231.164 2.099 20 0 BEADMN CCCCN(C)CN1C(=O)CC12CCCC2 ZINC000844684199 588213726 /nfs/dbraw/zinc/21/37/26/588213726.db2.gz HBKJHBTWFMUENV-UHFFFAOYSA-N 0 1 224.348 2.221 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000844839691 588218237 /nfs/dbraw/zinc/21/82/37/588218237.db2.gz RVWMDCWPHNAIHD-VIFPVBQESA-N 0 1 242.706 2.030 20 0 BEADMN CCC[C@@H](C)c1noc(CC(F)(F)CN)n1 ZINC000844910170 588219224 /nfs/dbraw/zinc/21/92/24/588219224.db2.gz SPRJVQFGFIEFBV-SSDOTTSWSA-N 0 1 233.262 2.110 20 0 BEADMN C[C@H](c1noc(CC(F)(F)CN)n1)C(C)(C)C ZINC000844910237 588219407 /nfs/dbraw/zinc/21/94/07/588219407.db2.gz MQCFGYYKBOYEAH-SSDOTTSWSA-N 0 1 247.289 2.356 20 0 BEADMN CCCC(C)(C)C(=O)NCc1cc(CC)[nH]n1 ZINC000845497219 588230965 /nfs/dbraw/zinc/23/09/65/588230965.db2.gz VPCHMTKFGNZFOI-UHFFFAOYSA-N 0 1 237.347 2.415 20 0 BEADMN CC[C@@]1(C)CCC[C@H]1NCc1nonc1C ZINC000845970142 588252064 /nfs/dbraw/zinc/25/20/64/588252064.db2.gz KSGZSQKBOBGZKS-NEPJUHHUSA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@]1(CCNCc2cocn2)C[C@]1(F)Cl ZINC000846033617 588254212 /nfs/dbraw/zinc/25/42/12/588254212.db2.gz GSLNWAQIFLLLOU-NXEZZACHSA-N 0 1 232.686 2.469 20 0 BEADMN C[N@@H+](CCOCC(=O)[O-])C1CCCCCCC1 ZINC000846243298 588262682 /nfs/dbraw/zinc/26/26/82/588262682.db2.gz GXWKOFRGYOMOPC-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@@H](C)C(C)(C)C1)C(=O)[O-] ZINC000846259242 588263120 /nfs/dbraw/zinc/26/31/20/588263120.db2.gz NHVFFTFDPYQQFD-IGLBNKAOSA-N 0 1 225.332 2.385 20 0 BEADMN CCCCCC[N@H+]1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000846282714 588263957 /nfs/dbraw/zinc/26/39/57/588263957.db2.gz AQOOUHCSPBBHFP-RYUDHWBXSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@]1(CCNC(=O)C(F)(F)F)C[C@@]1(F)Cl ZINC000846402788 588265519 /nfs/dbraw/zinc/26/55/19/588265519.db2.gz DXAWGRZLAMVFGZ-RQJHMYQMSA-N 0 1 247.619 2.370 20 0 BEADMN C[C@@H]1CN(CC2(Br)CC2)CCCO1 ZINC000846794810 588288209 /nfs/dbraw/zinc/28/82/09/588288209.db2.gz BESSUAZVHJVBJI-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN C[C@@H](c1nccc(N)n1)[N@H+]1CCC2(CCCC2)C1 ZINC000846807787 588289888 /nfs/dbraw/zinc/28/98/88/588289888.db2.gz DDCMMUROGXNFPI-NSHDSACASA-N 0 1 246.358 2.386 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CCC2(CCCC2)C1 ZINC000846807787 588289889 /nfs/dbraw/zinc/28/98/89/588289889.db2.gz DDCMMUROGXNFPI-NSHDSACASA-N 0 1 246.358 2.386 20 0 BEADMN CN(CCCCO)Cc1cnc(Cl)c(F)c1 ZINC000846866514 588293991 /nfs/dbraw/zinc/29/39/91/588293991.db2.gz AKFQVHQBEBNCPG-UHFFFAOYSA-N 0 1 246.713 2.078 20 0 BEADMN C[N@@H+](CC1(Br)CC1)[C@H]1CCCOC1 ZINC000846901226 588296088 /nfs/dbraw/zinc/29/60/88/588296088.db2.gz MYUJHUWUMYVWSB-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN CN(CC1(Br)CC1)[C@H]1CCCOC1 ZINC000846901226 588296089 /nfs/dbraw/zinc/29/60/89/588296089.db2.gz MYUJHUWUMYVWSB-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN CCN(CC1(Br)CC1)[C@H]1CCOC1 ZINC000846913430 588296475 /nfs/dbraw/zinc/29/64/75/588296475.db2.gz BNISBVIONQRIDK-VIFPVBQESA-N 0 1 248.164 2.025 20 0 BEADMN CC(=O)C1CCN(Cc2ccc(C)nc2C)CC1 ZINC000846946065 588298007 /nfs/dbraw/zinc/29/80/07/588298007.db2.gz FRNJOMVMEUEZMF-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN CON1CCN([C@H]2C=CCCCCC2)CC1 ZINC000846970571 588299285 /nfs/dbraw/zinc/29/92/85/588299285.db2.gz HLECJVZOOPEJHE-ZDUSSCGKSA-N 0 1 224.348 2.054 20 0 BEADMN CON1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000846978640 588300139 /nfs/dbraw/zinc/30/01/39/588300139.db2.gz YUSUNVVHQCIROG-CYBMUJFWSA-N 0 1 234.343 2.235 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccsn1 ZINC000848010467 588347453 /nfs/dbraw/zinc/34/74/53/588347453.db2.gz JJLHEGQHSTUPNS-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN CS[C@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015081 588347948 /nfs/dbraw/zinc/34/79/48/588347948.db2.gz RWFBCUWPJOONBK-SSDOTTSWSA-N 0 1 240.328 2.082 20 0 BEADMN CC(C)CC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015656 588348139 /nfs/dbraw/zinc/34/81/39/588348139.db2.gz DUURGCOWXSFFMK-UHFFFAOYSA-N 0 1 222.288 2.376 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000848034333 588348893 /nfs/dbraw/zinc/34/88/93/588348893.db2.gz YSDKQQDRHXAQLG-QXMHVHEDSA-N 0 1 238.375 2.285 20 0 BEADMN CCCNC(=O)CNCc1ccccc1C(C)C ZINC000848525820 588392398 /nfs/dbraw/zinc/39/23/98/588392398.db2.gz RXTMCTMJISOOOC-UHFFFAOYSA-N 0 1 248.370 2.426 20 0 BEADMN COC[C@H](NCc1noc2ccccc12)C1CC1 ZINC000848571877 588399003 /nfs/dbraw/zinc/39/90/03/588399003.db2.gz FDYCTIOSNADCLN-ZDUSSCGKSA-N 0 1 246.310 2.342 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(C)c2F)no1 ZINC000848626367 588402818 /nfs/dbraw/zinc/40/28/18/588402818.db2.gz BDDAPNXBKMYBEH-MRVPVSSYSA-N 0 1 235.262 2.465 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)c(C)o1 ZINC000848640291 588403452 /nfs/dbraw/zinc/40/34/52/588403452.db2.gz OTNZZKKXLKYONS-UHFFFAOYSA-N 0 1 237.299 2.336 20 0 BEADMN Cn1c(CN2CCC[C@H]2C2CC2)cnc1Cl ZINC000848886852 588416662 /nfs/dbraw/zinc/41/66/62/588416662.db2.gz WWVZSLLMBSTEFO-NSHDSACASA-N 0 1 239.750 2.448 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cnc(Cl)n1C ZINC000848891482 588417712 /nfs/dbraw/zinc/41/77/12/588417712.db2.gz YZYFWFOZEQWFJI-DTORHVGOSA-N 0 1 227.739 2.446 20 0 BEADMN COC(=O)/C=C/c1ccc(CN2CC=CCC2)o1 ZINC000848900905 588418252 /nfs/dbraw/zinc/41/82/52/588418252.db2.gz MLLZJDKCIUFGNA-BQYQJAHWSA-N 0 1 247.294 2.228 20 0 BEADMN CC(=O)[C@@H](C)OC(=O)c1ccc(O)c(Cl)c1 ZINC000848950882 588421970 /nfs/dbraw/zinc/42/19/70/588421970.db2.gz PCKDCSDTPQMIIM-SSDOTTSWSA-N 0 1 242.658 2.180 20 0 BEADMN CC(C)Cc1nnc(NCC(F)(F)F)o1 ZINC000849161075 588457976 /nfs/dbraw/zinc/45/79/76/588457976.db2.gz AVRBMWGCBMTLGH-UHFFFAOYSA-N 0 1 223.198 2.242 20 0 BEADMN C[C@H](NCCCC1CCC1)c1nnnn1C1CC1 ZINC000849323302 588472658 /nfs/dbraw/zinc/47/26/58/588472658.db2.gz KUMUSSGQIFRHEL-JTQLQIEISA-N 0 1 249.362 2.239 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H](C)CC)n[nH]1 ZINC000849649857 588483933 /nfs/dbraw/zinc/48/39/33/588483933.db2.gz WGXYFJKJFZZWKD-YUMQZZPRSA-N 0 1 225.292 2.017 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H](C)CC)n[nH]1 ZINC000849649855 588484018 /nfs/dbraw/zinc/48/40/18/588484018.db2.gz WGXYFJKJFZZWKD-JGVFFNPUSA-N 0 1 225.292 2.017 20 0 BEADMN CC/C=C(/C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849652186 588484332 /nfs/dbraw/zinc/48/43/32/588484332.db2.gz XMOYYHXGUOKOMT-UFGYOYAJSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C=C(\C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849652183 588484452 /nfs/dbraw/zinc/48/44/52/588484452.db2.gz XMOYYHXGUOKOMT-FCZSHJHJSA-N 0 1 237.303 2.328 20 0 BEADMN CCC[C@@H](C)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849694880 588487023 /nfs/dbraw/zinc/48/70/23/588487023.db2.gz OBAJOJAJIGJFSK-RKDXNWHRSA-N 0 1 239.319 2.408 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@@H]2C[C@H]2CC)n[nH]1 ZINC000849792723 588499691 /nfs/dbraw/zinc/49/96/91/588499691.db2.gz GXNNRQNHPXOKAM-IWSPIJDZSA-N 0 1 237.303 2.017 20 0 BEADMN CCCS(=O)(=O)CCN1[C@H](C)CCC[C@@H]1C ZINC000108918358 588502896 /nfs/dbraw/zinc/50/28/96/588502896.db2.gz WTAQTGSWJIGRGO-TXEJJXNPSA-N 0 1 247.404 2.074 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC000849859946 588505941 /nfs/dbraw/zinc/50/59/41/588505941.db2.gz XZUCFWKNABNSEX-IANFPDNMSA-N 0 1 249.314 2.154 20 0 BEADMN Cc1nc(COC(=O)[C@]2(C)CC=C(C)CC2)n[nH]1 ZINC000850098183 588519899 /nfs/dbraw/zinc/51/98/99/588519899.db2.gz STHMESTVDYLXFG-CYBMUJFWSA-N 0 1 249.314 2.293 20 0 BEADMN C[C@H](NCc1cnc2n1CCC2)c1ccc[nH]1 ZINC000850229242 588530717 /nfs/dbraw/zinc/53/07/17/588530717.db2.gz YFHORPYUBARQNB-JTQLQIEISA-N 0 1 230.315 2.008 20 0 BEADMN CC[C@H]1C[C@@H](NCc2noc3ccccc32)CO1 ZINC000850339204 588537275 /nfs/dbraw/zinc/53/72/75/588537275.db2.gz MCWYJEJXEKODBN-MNOVXSKESA-N 0 1 246.310 2.485 20 0 BEADMN CC[C@@H](C)CCNCc1nn(CC)nc1C ZINC000850356101 588538556 /nfs/dbraw/zinc/53/85/56/588538556.db2.gz RJEYAEZSXBPNBQ-SNVBAGLBSA-N 0 1 224.352 2.132 20 0 BEADMN C[C@H](CSCCF)N[C@H]1CCn2ccnc21 ZINC000850471356 588548870 /nfs/dbraw/zinc/54/88/70/588548870.db2.gz PEGLBLBHZHXACT-ZJUUUORDSA-N 0 1 243.351 2.009 20 0 BEADMN c1nc(C2CC2)oc1CN[C@@H]1COC2(CCC2)C1 ZINC000850471716 588549061 /nfs/dbraw/zinc/54/90/61/588549061.db2.gz CCZXCONYOPKFED-NSHDSACASA-N 0 1 248.326 2.353 20 0 BEADMN C[C@@H](CSCCF)N[C@H]1CCn2ccnc21 ZINC000850471354 588549117 /nfs/dbraw/zinc/54/91/17/588549117.db2.gz PEGLBLBHZHXACT-UWVGGRQHSA-N 0 1 243.351 2.009 20 0 BEADMN CCc1noc(C)c1[C@@H](C)N[C@@H]1C[C@]1(C)OC ZINC000850571695 588561220 /nfs/dbraw/zinc/56/12/20/588561220.db2.gz TZUIQYURPYPMKK-DYLAAIIWSA-N 0 1 238.331 2.373 20 0 BEADMN CC1=CC[C@@](C)(C(=O)OCCc2c[nH]nn2)CC1 ZINC000850859968 588570859 /nfs/dbraw/zinc/57/08/59/588570859.db2.gz VTAVVUGKAZSWEY-CYBMUJFWSA-N 0 1 249.314 2.027 20 0 BEADMN CC1=CC[C@@](C)(C(=O)OCCc2cnn[nH]2)CC1 ZINC000850859968 588570860 /nfs/dbraw/zinc/57/08/60/588570860.db2.gz VTAVVUGKAZSWEY-CYBMUJFWSA-N 0 1 249.314 2.027 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000851118774 588591960 /nfs/dbraw/zinc/59/19/60/588591960.db2.gz GYPHBFFOWABSGT-URLYPYJESA-N 0 1 246.310 2.376 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1CCC1(F)F)N(C)C ZINC000851319834 588601447 /nfs/dbraw/zinc/60/14/47/588601447.db2.gz PLFQPUHFFBWAGT-ZJUUUORDSA-N 0 1 249.301 2.161 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@@H]1CCC1(F)F)N(C)C ZINC000851319832 588601460 /nfs/dbraw/zinc/60/14/60/588601460.db2.gz PLFQPUHFFBWAGT-UWVGGRQHSA-N 0 1 249.301 2.161 20 0 BEADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCF ZINC000851708814 588614855 /nfs/dbraw/zinc/61/48/55/588614855.db2.gz ZVUACUMEFZQXAS-NWDGAFQWSA-N 0 1 237.274 2.246 20 0 BEADMN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1CCF ZINC000851708814 588614856 /nfs/dbraw/zinc/61/48/56/588614856.db2.gz ZVUACUMEFZQXAS-NWDGAFQWSA-N 0 1 237.274 2.246 20 0 BEADMN CCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000851707605 588615329 /nfs/dbraw/zinc/61/53/29/588615329.db2.gz GWZPPSIBNUAIJA-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](C/C=C\Cl)C[C@H]1CCCC2 ZINC000851709237 588615360 /nfs/dbraw/zinc/61/53/60/588615360.db2.gz UCIDQNCSZBRUAH-OOJSTFJISA-N 0 1 243.734 2.316 20 0 BEADMN CN(Cc1cnon1)C1CCCCCC1 ZINC000851712273 588615775 /nfs/dbraw/zinc/61/57/75/588615775.db2.gz MPGAFQOFHOVWPX-UHFFFAOYSA-N 0 1 209.293 2.224 20 0 BEADMN C[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851718411 588616917 /nfs/dbraw/zinc/61/69/17/588616917.db2.gz JTKMORMPSCHWFC-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN C[C@H](c1ccco1)N(C)C[C@H](O)c1ccccn1 ZINC000851738453 588620803 /nfs/dbraw/zinc/62/08/03/588620803.db2.gz HGDVQSUYQSFDQQ-YPMHNXCESA-N 0 1 246.310 2.401 20 0 BEADMN CC(C)[C@@H]1CCCN(Cc2cnon2)CC1 ZINC000851773031 588626180 /nfs/dbraw/zinc/62/61/80/588626180.db2.gz OUHJSBHZNLXBJW-LLVKDONJSA-N 0 1 223.320 2.328 20 0 BEADMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cnon1 ZINC000851774574 588626244 /nfs/dbraw/zinc/62/62/44/588626244.db2.gz KSWGEAIOCZAIGO-DGCLKSJQSA-N 0 1 243.310 2.448 20 0 BEADMN CC[C@H]1CCCN(Cc2cnon2)CC1 ZINC000851775997 588626647 /nfs/dbraw/zinc/62/66/47/588626647.db2.gz CGDCBRRHQSAHGS-JTQLQIEISA-N 0 1 209.293 2.082 20 0 BEADMN CC[C@H]1CN(CCOC(F)F)CCS1 ZINC000851791864 588629074 /nfs/dbraw/zinc/62/90/74/588629074.db2.gz HNVVJHRENPHBPJ-QMMMGPOBSA-N 0 1 225.304 2.053 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1cnon1 ZINC000851854675 588635470 /nfs/dbraw/zinc/63/54/70/588635470.db2.gz WPHRDDVVQJHQQQ-GFCCVEGCSA-N 0 1 223.320 2.470 20 0 BEADMN COC[C@H](NCCOC(F)F)c1ccc(C)o1 ZINC000851925112 588644238 /nfs/dbraw/zinc/64/42/38/588644238.db2.gz SQZZZMHMQUESSS-VIFPVBQESA-N 0 1 249.257 2.104 20 0 BEADMN CC1(C)CCCC[C@@H]1NCc1cnon1 ZINC000851947507 588646579 /nfs/dbraw/zinc/64/65/79/588646579.db2.gz UFSLNWRUVLWDDF-JTQLQIEISA-N 0 1 209.293 2.128 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)Cc1cnon1 ZINC000851965956 588648401 /nfs/dbraw/zinc/64/84/01/588648401.db2.gz AYZORHJZEFMDPQ-GXSJLCMTSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@H]1[C@@H](C(F)(F)F)CCN1CCOC(F)F ZINC000851998105 588653445 /nfs/dbraw/zinc/65/34/45/588653445.db2.gz PVJSBUNXROVOBK-BQBZGAKWSA-N 0 1 247.207 2.498 20 0 BEADMN c1nonc1CN(CC1CC1)CC1CCC1 ZINC000852002232 588654135 /nfs/dbraw/zinc/65/41/35/588654135.db2.gz AUJSIEJWGQWXNJ-UHFFFAOYSA-N 0 1 221.304 2.082 20 0 BEADMN FC(F)[C@H]1CN(CCC2CCC2)CCO1 ZINC000852016729 588655600 /nfs/dbraw/zinc/65/56/00/588655600.db2.gz JTCMKJJQBHQXHT-SNVBAGLBSA-N 0 1 219.275 2.143 20 0 BEADMN CCc1nc([C@H](C)N(CC(C)(C)C)OC)n[nH]1 ZINC000852039575 588657243 /nfs/dbraw/zinc/65/72/43/588657243.db2.gz GJCRGTSYSBASTL-VIFPVBQESA-N 0 1 240.351 2.338 20 0 BEADMN COCC(C)(C)N(C)Cc1cccc(F)n1 ZINC000852076516 588659686 /nfs/dbraw/zinc/65/96/86/588659686.db2.gz IXYVQBMMUOOFBE-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN FCCN1CCC[C@@H](c2ccccn2)C1 ZINC000852083200 588660645 /nfs/dbraw/zinc/66/06/45/588660645.db2.gz AKXAUGALCXERPE-LLVKDONJSA-N 0 1 208.280 2.231 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@@](C)(F)C2)n[nH]1 ZINC000852095859 588662103 /nfs/dbraw/zinc/66/21/03/588662103.db2.gz FPQRDTHWYRWTRX-JOYOIKCWSA-N 0 1 240.326 2.252 20 0 BEADMN Cc1cccc(-c2noc([C@@H]3CCCCN3)n2)n1 ZINC000110473206 588671380 /nfs/dbraw/zinc/67/13/80/588671380.db2.gz LNSOXNGKBPJEIV-NSHDSACASA-N 0 1 244.298 2.255 20 0 BEADMN Cn1cnc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000852213503 588673116 /nfs/dbraw/zinc/67/31/16/588673116.db2.gz KQIGVRGATLWHES-NSHDSACASA-N 0 1 241.285 2.041 20 0 BEADMN Fc1cccc(CN2CC[C@@]3(CC3(F)F)C2)n1 ZINC000852215320 588673295 /nfs/dbraw/zinc/67/32/95/588673295.db2.gz OBSKSLPBNWSSBZ-LLVKDONJSA-N 0 1 242.244 2.452 20 0 BEADMN Fc1cccc(CN2CC[C@]3(CC3(F)F)C2)n1 ZINC000852215323 588673505 /nfs/dbraw/zinc/67/35/05/588673505.db2.gz OBSKSLPBNWSSBZ-NSHDSACASA-N 0 1 242.244 2.452 20 0 BEADMN C[C@@H](NCc1cnon1)C1CCC(F)(F)CC1 ZINC000852218494 588673600 /nfs/dbraw/zinc/67/36/00/588673600.db2.gz JHURTMWXSSOJPL-MRVPVSSYSA-N 0 1 245.273 2.373 20 0 BEADMN CC[C@H](C)N(CC)Cc1nn(CC)nc1C ZINC000852291250 588676252 /nfs/dbraw/zinc/67/62/52/588676252.db2.gz SEGADGJSXDQXQV-JTQLQIEISA-N 0 1 224.352 2.227 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)[C@@H](C)CC ZINC000852292727 588676621 /nfs/dbraw/zinc/67/66/21/588676621.db2.gz HVMCKNQOBBALLH-QWRGUYRKSA-N 0 1 215.337 2.449 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)[C@H](C)CC ZINC000852292726 588676714 /nfs/dbraw/zinc/67/67/14/588676714.db2.gz HVMCKNQOBBALLH-MNOVXSKESA-N 0 1 215.337 2.449 20 0 BEADMN Cn1ncc(C[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000852354328 588679457 /nfs/dbraw/zinc/67/94/57/588679457.db2.gz CIEHXCRFLGHHTE-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN COCCN(CCF)C[C@H](OC)C1CCCC1 ZINC000852480006 588683640 /nfs/dbraw/zinc/68/36/40/588683640.db2.gz LZRQTIKEINHXRZ-ZDUSSCGKSA-N 0 1 247.354 2.110 20 0 BEADMN C[C@H](O)[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000852558904 588690606 /nfs/dbraw/zinc/69/06/06/588690606.db2.gz FKNAMFNWBMTPQN-GXSJLCMTSA-N 0 1 240.734 2.080 20 0 BEADMN Cn1ncc(C[N@H+]2CCCC[C@H]2CC2CCC2)n1 ZINC000852711560 588697054 /nfs/dbraw/zinc/69/70/54/588697054.db2.gz GEQNIAWJROEZLX-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncc(CN2CCCC[C@H]2CC2CCC2)n1 ZINC000852711560 588697055 /nfs/dbraw/zinc/69/70/55/588697055.db2.gz GEQNIAWJROEZLX-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN CC1(C)C[C@]1(NCC1OCCO1)c1ccccc1 ZINC000852773375 588701580 /nfs/dbraw/zinc/70/15/80/588701580.db2.gz XGRIUIGANTVMPB-HNNXBMFYSA-N 0 1 247.338 2.274 20 0 BEADMN c1nonc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000852786861 588702756 /nfs/dbraw/zinc/70/27/56/588702756.db2.gz FRUSVYQXGQGBEC-JQWIXIFHSA-N 0 1 221.304 2.224 20 0 BEADMN CC(C)c1ccccc1C(=O)N1CCN[C@H](C)C1 ZINC000852797691 588703680 /nfs/dbraw/zinc/70/36/80/588703680.db2.gz ZIRPFFZKQJQIQY-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN CC(F)(F)COC(=O)c1ccc2cncn2c1 ZINC000861222496 589152171 /nfs/dbraw/zinc/15/21/71/589152171.db2.gz QKVUWCRHJNSSMZ-UHFFFAOYSA-N 0 1 240.209 2.146 20 0 BEADMN CC[C@@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861384397 589162158 /nfs/dbraw/zinc/16/21/58/589162158.db2.gz PSCZYQOYUDEBQO-CQSZACIVSA-N 0 1 247.338 2.429 20 0 BEADMN C[C@H](C(=O)OCCN1CCC1)C1CCCC1 ZINC000861387251 589162469 /nfs/dbraw/zinc/16/24/69/589162469.db2.gz BQGKINMINFXXCV-NSHDSACASA-N 0 1 225.332 2.062 20 0 BEADMN CCC[C@H](C)CC(=O)OCCN1CCC1 ZINC000861386537 589162536 /nfs/dbraw/zinc/16/25/36/589162536.db2.gz DPBKNVHDEJQHDC-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN C[C@H](C(=O)OCCN1CCC1)c1ccsc1 ZINC000861388028 589162904 /nfs/dbraw/zinc/16/29/04/589162904.db2.gz QIRBQHDFFTXLBW-JTQLQIEISA-N 0 1 239.340 2.101 20 0 BEADMN C[C@@H](C(=O)OCCN1CCC1)c1cccs1 ZINC000861387955 589162954 /nfs/dbraw/zinc/16/29/54/589162954.db2.gz PCEVBFSBBAZGJG-SNVBAGLBSA-N 0 1 239.340 2.101 20 0 BEADMN C/C(=C/C(C)(C)C)C(=O)OCCN1CCC1 ZINC000861389583 589163628 /nfs/dbraw/zinc/16/36/28/589163628.db2.gz QUHSACBOMVKLOT-KHPPLWFESA-N 0 1 225.332 2.228 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)OCCN2CCC2)C[C@@H]1C ZINC000861390775 589164007 /nfs/dbraw/zinc/16/40/07/589164007.db2.gz LNQFIUXXTFGJKT-FRRDWIJNSA-N 0 1 239.359 2.308 20 0 BEADMN CC(C)CCCC(=O)OCCN1CCC1 ZINC000861390770 589164422 /nfs/dbraw/zinc/16/44/22/589164422.db2.gz LJTNJIZYIJMDIC-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN O=C(C(F)=C1CCCC1)N1CCc2nc[nH]c2C1 ZINC000861760694 589177287 /nfs/dbraw/zinc/17/72/87/589177287.db2.gz MFVVTRUKWXWYBQ-UHFFFAOYSA-N 0 1 249.289 2.092 20 0 BEADMN Cc1c(CN2CCCOC[C@H]2C)ccnc1F ZINC000862246635 589196711 /nfs/dbraw/zinc/19/67/11/589196711.db2.gz LOZVEPUOINCSGI-SNVBAGLBSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1c[nH]c(CN(C(C)C)C2CCC2)n1 ZINC000862249218 589197719 /nfs/dbraw/zinc/19/77/19/589197719.db2.gz YSYSZEJQBPIHSY-UHFFFAOYSA-N 0 1 207.321 2.481 20 0 BEADMN COC(=O)CC1CCC(NC(CF)CF)CC1 ZINC000862382698 589206987 /nfs/dbraw/zinc/20/69/87/589206987.db2.gz WVBHBWMEPSHOQR-UHFFFAOYSA-N 0 1 249.301 2.006 20 0 BEADMN CS[C@H]1CCN(Cc2ccnc(F)c2C)C1 ZINC000862385692 589207180 /nfs/dbraw/zinc/20/71/80/589207180.db2.gz ZOWDMJUOZBTCCN-NSHDSACASA-N 0 1 240.347 2.466 20 0 BEADMN CCOC(=O)c1cccc(CN[C@@H]2C=CCC2)n1 ZINC000862410159 589210630 /nfs/dbraw/zinc/21/06/30/589210630.db2.gz OEVBYHDWPQFEKW-LLVKDONJSA-N 0 1 246.310 2.067 20 0 BEADMN Cc1ccc(O)cc1NC(=O)C1(N(C)C)CCC1 ZINC000862963688 589248900 /nfs/dbraw/zinc/24/89/00/589248900.db2.gz UVQOZPMUTKRMOE-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC(CC)CC2)C1 ZINC000119217022 589250839 /nfs/dbraw/zinc/25/08/39/589250839.db2.gz PCOBCRHTHHOIQL-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN O=C1SCCN1CN1CCCC2(CC2)CC1 ZINC000863331096 589280809 /nfs/dbraw/zinc/28/08/09/589280809.db2.gz GJPBDHKLJFVARJ-UHFFFAOYSA-N 0 1 240.372 2.379 20 0 BEADMN C[C@@H]1C[C@H]1CON=C(N)CN1CCCC[C@@H]1C ZINC000863456448 589289314 /nfs/dbraw/zinc/28/93/14/589289314.db2.gz AHYKBBRQWTWWNR-WOPDTQHZSA-N 0 1 239.363 2.015 20 0 BEADMN C[C@@H]1C[C@H]1CON=C(N)CN1CCCC[C@H]1C ZINC000863456447 589289600 /nfs/dbraw/zinc/28/96/00/589289600.db2.gz AHYKBBRQWTWWNR-UTUOFQBUSA-N 0 1 239.363 2.015 20 0 BEADMN CCOCc1nnc(Nc2cccc(F)c2)o1 ZINC000863981304 589332631 /nfs/dbraw/zinc/33/26/31/589332631.db2.gz ZEFQADRXVIXSFL-UHFFFAOYSA-N 0 1 237.234 2.489 20 0 BEADMN CC/C=C(\F)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000864068893 589338795 /nfs/dbraw/zinc/33/87/95/589338795.db2.gz WOQFJLHMDDQRJY-CHPNCVJKSA-N 0 1 242.338 2.239 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@@]12C[C@@H]1CCCC2 ZINC000864081108 589341692 /nfs/dbraw/zinc/34/16/92/589341692.db2.gz RONOLNZSUCAQHF-COPLHBTASA-N 0 1 247.342 2.037 20 0 BEADMN CC/C=C(\F)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000864083388 589342002 /nfs/dbraw/zinc/34/20/02/589342002.db2.gz DHYRMNQJPHHNSO-GXJHKIBXSA-N 0 1 242.338 2.191 20 0 BEADMN O=C(NO[C@@H]1CCCCO1)[C@@]12C[C@@H]1CCCC2 ZINC000865080921 589407924 /nfs/dbraw/zinc/40/79/24/589407924.db2.gz XDDNJXDBOYKQGA-LOWVWBTDSA-N 0 1 239.315 2.141 20 0 BEADMN FC(F)(F)c1cnccc1NC[C@@H]1CCCO1 ZINC000865397242 589431872 /nfs/dbraw/zinc/43/18/72/589431872.db2.gz BCARMPZRWHWIPM-QMMMGPOBSA-N 0 1 246.232 2.113 20 0 BEADMN O[C@H]1CCCN(c2ccncc2C(F)(F)F)C1 ZINC000865401987 589433159 /nfs/dbraw/zinc/43/31/59/589433159.db2.gz ORAWTZIDZGCCIQ-QMMMGPOBSA-N 0 1 246.232 2.062 20 0 BEADMN FC(F)(F)c1cnccc1NCC1CC1 ZINC000865429591 589435420 /nfs/dbraw/zinc/43/54/20/589435420.db2.gz ZERZYASXKKMUCF-UHFFFAOYSA-N 0 1 216.206 2.344 20 0 BEADMN CC(=O)c1cccc(NCCN2CCCCC2)n1 ZINC000865444313 589436729 /nfs/dbraw/zinc/43/67/29/589436729.db2.gz MSJAWHKZKLCOMP-UHFFFAOYSA-N 0 1 247.342 2.182 20 0 BEADMN CC1(C)CC[C@@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865533507 589444073 /nfs/dbraw/zinc/44/40/73/589444073.db2.gz LABCAQHHXGYWRZ-ZDUSSCGKSA-N 0 1 249.358 2.265 20 0 BEADMN FCC(CF)N[C@H]1CCc2cccnc2CC1 ZINC000865582486 589448611 /nfs/dbraw/zinc/44/86/11/589448611.db2.gz CMXDMSGVOTZSAR-NSHDSACASA-N 0 1 240.297 2.226 20 0 BEADMN CC/C=C/CNCc1cn(C2CC2)cn1 ZINC000865586179 589449175 /nfs/dbraw/zinc/44/91/75/589449175.db2.gz AWMDFXPIKTYKHG-ONEGZZNKSA-N 0 1 205.305 2.274 20 0 BEADMN C[C@@H](CCCO)Nc1ccncc1C(F)(F)F ZINC000865605989 589450329 /nfs/dbraw/zinc/45/03/29/589450329.db2.gz LYCYCMQGVVXBJO-QMMMGPOBSA-N 0 1 248.248 2.095 20 0 BEADMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cn(C2CC2)cn1 ZINC000865643942 589454192 /nfs/dbraw/zinc/45/41/92/589454192.db2.gz VDJHOOQQXCBTMV-FBKDDSFISA-N 0 1 249.358 2.120 20 0 BEADMN CCc1csc(N2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000865654580 589454532 /nfs/dbraw/zinc/45/45/32/589454532.db2.gz RCNVGOXWMRZFDO-NXEZZACHSA-N 0 1 239.388 2.234 20 0 BEADMN COc1ccc(NCc2cn[nH]c2C)c(F)c1 ZINC000865661984 589455029 /nfs/dbraw/zinc/45/50/29/589455029.db2.gz JFIBVTHJWHYGTK-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cn1 ZINC000865698580 589457172 /nfs/dbraw/zinc/45/71/72/589457172.db2.gz CTZJZTVTWSXRIM-NWDGAFQWSA-N 0 1 238.306 2.461 20 0 BEADMN C[C@@H](O)CCCNc1ccncc1C(F)(F)F ZINC000865736674 589459371 /nfs/dbraw/zinc/45/93/71/589459371.db2.gz MSQMDLDYCXHSLQ-MRVPVSSYSA-N 0 1 248.248 2.095 20 0 BEADMN Cc1cc(CNC(C)(C)[C@@H]2CCCCO2)on1 ZINC000865743761 589460564 /nfs/dbraw/zinc/46/05/64/589460564.db2.gz HUGAHNBXDOSXNY-LBPRGKRZSA-N 0 1 238.331 2.420 20 0 BEADMN CCn1ncc(CNCC(C)(C)C(C)(F)F)n1 ZINC000865789345 589461931 /nfs/dbraw/zinc/46/19/31/589461931.db2.gz XKPNCTDMVYFIPO-UHFFFAOYSA-N 0 1 246.305 2.069 20 0 BEADMN CC(C)(C)c1ccc(CN[C@@H]2CCOC2)o1 ZINC000865815051 589462815 /nfs/dbraw/zinc/46/28/15/589462815.db2.gz SNUONBKORYRTOM-SNVBAGLBSA-N 0 1 223.316 2.456 20 0 BEADMN CCc1csc(N2CCN(C)C[C@@H]2CC)n1 ZINC000865836758 589464095 /nfs/dbraw/zinc/46/40/95/589464095.db2.gz RGALSHGCQKTUEU-NSHDSACASA-N 0 1 239.388 2.236 20 0 BEADMN Cc1cnc(CN[C@]23CCC[C@H]2OCC3)s1 ZINC000865856912 589465165 /nfs/dbraw/zinc/46/51/65/589465165.db2.gz LTZKNHZKCIDHEB-PWSUYJOCSA-N 0 1 238.356 2.253 20 0 BEADMN c1nc(CN[C@]23CCC[C@H]2OCC3)cn1C1CC1 ZINC000865855961 589465313 /nfs/dbraw/zinc/46/53/13/589465313.db2.gz AMZPZYJEVSPHKF-KGLIPLIRSA-N 0 1 247.342 2.019 20 0 BEADMN CCc1csc(N2CCN(C)C(C)(C)C2)n1 ZINC000865914376 589468512 /nfs/dbraw/zinc/46/85/12/589468512.db2.gz KLVQIAZCCDNGAF-UHFFFAOYSA-N 0 1 239.388 2.236 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCc1cccs1 ZINC000120950958 589479133 /nfs/dbraw/zinc/47/91/33/589479133.db2.gz JYKMVCBGXSFHHO-MNOVXSKESA-N 0 1 225.357 2.400 20 0 BEADMN F[C@H]1COc2ccccc2[C@H]1NCC1CC1 ZINC000866226963 589481741 /nfs/dbraw/zinc/48/17/41/589481741.db2.gz WADYOMOCOSPBMU-WCQYABFASA-N 0 1 221.275 2.458 20 0 BEADMN C[C@H](CCc1cccnc1)NCc1cocn1 ZINC000866320257 589486307 /nfs/dbraw/zinc/48/63/07/589486307.db2.gz HBPBBSVQVVUXPE-LLVKDONJSA-N 0 1 231.299 2.181 20 0 BEADMN CC(C)(F)CN[C@@H]1CCCc2n[nH]cc21 ZINC000866409405 589490876 /nfs/dbraw/zinc/49/08/76/589490876.db2.gz LIMMQAYAQVTOHX-SECBINFHSA-N 0 1 211.284 2.125 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cnn(C)c1 ZINC000866449783 589493927 /nfs/dbraw/zinc/49/39/27/589493927.db2.gz HWSAPCNKMDPYAN-ZMLRMANQSA-N 0 1 225.311 2.351 20 0 BEADMN CCC=C(F)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000866729827 589516886 /nfs/dbraw/zinc/51/68/86/589516886.db2.gz PRTOPWDAPBPKDW-ZUYFITGHSA-N 0 1 237.278 2.167 20 0 BEADMN COC[C@@H](NCc1cccnc1Cl)C1CC1 ZINC000121221547 589518257 /nfs/dbraw/zinc/51/82/57/589518257.db2.gz BXPYQKBYPRPBNW-LLVKDONJSA-N 0 1 240.734 2.250 20 0 BEADMN Cc1cccc(C)c1CNC(=O)[C@H]1CCCN1C ZINC000122156072 589557731 /nfs/dbraw/zinc/55/77/31/589557731.db2.gz OMWYSIGWYBRZGD-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CC(C)ONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000868658888 589571141 /nfs/dbraw/zinc/57/11/41/589571141.db2.gz MFTVTTYWHJKXFV-LLVKDONJSA-N 0 1 239.702 2.436 20 0 BEADMN CC/C=C(/F)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000868752182 589575430 /nfs/dbraw/zinc/57/54/30/589575430.db2.gz MEGNOCBKUBVTIP-GGQLTLKSSA-N 0 1 242.338 2.193 20 0 BEADMN CC/C=C(/F)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000869072798 589585573 /nfs/dbraw/zinc/58/55/73/589585573.db2.gz RZCKPNGOUHBOIN-GGQLTLKSSA-N 0 1 242.338 2.193 20 0 BEADMN CCCONC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000869085258 589586411 /nfs/dbraw/zinc/58/64/11/589586411.db2.gz ZMGXNQMQRUMERL-LLVKDONJSA-N 0 1 239.702 2.438 20 0 BEADMN Cc1cc(CC(=O)OC[C@H](C)C(C)(C)C)n[nH]1 ZINC000869433237 589606046 /nfs/dbraw/zinc/60/60/46/589606046.db2.gz WWLGVVLOKXXGQU-VIFPVBQESA-N 0 1 238.331 2.486 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n[nH]1 ZINC000869885570 589635127 /nfs/dbraw/zinc/63/51/27/589635127.db2.gz DUKWRUJYJZSNHP-GOIIVKRLSA-N 0 1 249.314 2.009 20 0 BEADMN C[N@H+](Cc1ccccc1CC(=O)[O-])CC1CC1 ZINC000123526848 589746975 /nfs/dbraw/zinc/74/69/75/589746975.db2.gz RSLCGTPRXSCBQX-UHFFFAOYSA-N 0 1 233.311 2.156 20 0 BEADMN Cc1cc(F)ncc1-c1nc([C@H]2CCCN2)no1 ZINC000871788052 589818969 /nfs/dbraw/zinc/81/89/69/589818969.db2.gz FGTNQZCXHUMMCR-SECBINFHSA-N 0 1 248.261 2.004 20 0 BEADMN CC1(C)CC[C@H]2C(=O)N(c3ncccn3)N=C2C1 ZINC000871943334 589837050 /nfs/dbraw/zinc/83/70/50/589837050.db2.gz GWAMFZWVKIRYTA-SECBINFHSA-N 0 1 244.298 2.006 20 0 BEADMN CC(C)CCc1cc(=O)n(C[C@@H]2CCCO2)[nH]1 ZINC000871948775 589839191 /nfs/dbraw/zinc/83/91/91/589839191.db2.gz BXBVIXLKGXGLNK-LBPRGKRZSA-N 0 1 238.331 2.190 20 0 BEADMN CC1(C)CC[C@@H]2C(=O)N(c3ccncn3)N=C2C1 ZINC000871948970 589839591 /nfs/dbraw/zinc/83/95/91/589839591.db2.gz JXTYZWOPAXAXNO-VIFPVBQESA-N 0 1 244.298 2.006 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1cccc(Cl)n1 ZINC000871951542 589840349 /nfs/dbraw/zinc/84/03/49/589840349.db2.gz QNMBXHGXRAAQMI-SSDOTTSWSA-N 0 1 235.674 2.238 20 0 BEADMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1C1CC1 ZINC000871953550 589841088 /nfs/dbraw/zinc/84/10/88/589841088.db2.gz UOUYKDFXBVCQQI-NSHDSACASA-N 0 1 249.701 2.484 20 0 BEADMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1C ZINC000871953405 589841123 /nfs/dbraw/zinc/84/11/23/589841123.db2.gz OOHDZACOUYKIQD-ZCFIWIBFSA-N 0 1 223.663 2.094 20 0 BEADMN C[C@@H]1CCc2c(=O)n(-c3ccnc(Cl)c3)[nH]c21 ZINC000871953658 589842117 /nfs/dbraw/zinc/84/21/17/589842117.db2.gz YDUNYCAUJSSNMK-APPZFPTMSA-N 0 1 249.701 2.484 20 0 BEADMN C[C@H]1CCc2c(=O)n(-c3ccc(Cl)nc3)[nH]c21 ZINC000871955374 589842150 /nfs/dbraw/zinc/84/21/50/589842150.db2.gz YVDKNZZSXQNMRV-CBAPKCEASA-N 0 1 249.701 2.484 20 0 BEADMN O=c1c2c([nH]n1-c1ccc(Cl)nc1)CCC2 ZINC000871955143 589842339 /nfs/dbraw/zinc/84/23/39/589842339.db2.gz WMNJTDBLKYGSPC-QMMMGPOBSA-N 0 1 235.674 2.238 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccc(Cl)nc1 ZINC000871955143 589842336 /nfs/dbraw/zinc/84/23/36/589842336.db2.gz WMNJTDBLKYGSPC-QMMMGPOBSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccc(Cl)nc3)c(=O)c21 ZINC000871953711 589842470 /nfs/dbraw/zinc/84/24/70/589842470.db2.gz ASLRGOKAERDAEI-RDDDGLTNSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1[nH]n(C[C@@H]2CCCC2(F)F)c(=O)c1C ZINC000871962623 589846841 /nfs/dbraw/zinc/84/68/41/589846841.db2.gz GPRNZQWRFROFJQ-CBAPKCEASA-N 0 1 230.258 2.276 20 0 BEADMN Cc1[nH]n(C[C@H]2CCCC2(F)F)c(=O)c1C ZINC000871962624 589847431 /nfs/dbraw/zinc/84/74/31/589847431.db2.gz GPRNZQWRFROFJQ-IONNQARKSA-N 0 1 230.258 2.276 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872017205 589856220 /nfs/dbraw/zinc/85/62/20/589856220.db2.gz WFVRHPGZRMMINM-IUCAKERBSA-N 0 1 227.279 2.217 20 0 BEADMN CCC[C@H](O)CN[C@H](C)c1cc(O)ccc1F ZINC000872036484 589858375 /nfs/dbraw/zinc/85/83/75/589858375.db2.gz SNQIBYVLFSAQJZ-KOLCDFICSA-N 0 1 241.306 2.343 20 0 BEADMN C[C@@H](N[C@H]1CCCOC1)c1cc(O)ccc1F ZINC000872035804 589858489 /nfs/dbraw/zinc/85/84/89/589858489.db2.gz ZBBZZGUFODLMJN-ZJUUUORDSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@H](N[C@@H]1CCCOC1)c1cc(O)ccc1F ZINC000872035801 589858522 /nfs/dbraw/zinc/85/85/22/589858522.db2.gz ZBBZZGUFODLMJN-VHSXEESVSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccn(C)n1 ZINC000872107164 589872473 /nfs/dbraw/zinc/87/24/73/589872473.db2.gz LCMFDVWDRXZFQL-MNXVOIDGSA-N 0 1 249.358 2.028 20 0 BEADMN CC1(C)[C@H]2[C@H](CCCN2Cc2ccccn2)[C@@H]1O ZINC000872256616 589901226 /nfs/dbraw/zinc/90/12/26/589901226.db2.gz XYLMKOWWYLQYAV-MJBXVCDLSA-N 0 1 246.354 2.063 20 0 BEADMN c1nc(C2CC2)oc1CN[C@]12CCC[C@H]1OCC2 ZINC000872263420 589902353 /nfs/dbraw/zinc/90/23/53/589902353.db2.gz DSEATHHFAUTVDH-OCCSQVGLSA-N 0 1 248.326 2.353 20 0 BEADMN O=C1N(CN2CCCCC2)CCC12CCCC2 ZINC000872551800 589949703 /nfs/dbraw/zinc/94/97/03/589949703.db2.gz MKPHMCITYJBUPL-UHFFFAOYSA-N 0 1 236.359 2.223 20 0 BEADMN C[C@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872551965 589949891 /nfs/dbraw/zinc/94/98/91/589949891.db2.gz OBZULTDNYRTIMH-LBPRGKRZSA-N 0 1 236.359 2.078 20 0 BEADMN O=C1N(CN2C3CCC2CC3)CCC12CCCC2 ZINC000872556125 589950445 /nfs/dbraw/zinc/95/04/45/589950445.db2.gz AQVDIDQDQKNUPZ-UHFFFAOYSA-N 0 1 248.370 2.363 20 0 BEADMN Cc1cccc(NCCC[C@@H]2CCOC2=O)n1 ZINC000872704191 589963727 /nfs/dbraw/zinc/96/37/27/589963727.db2.gz VLSVBNFLSTUIPW-LLVKDONJSA-N 0 1 234.299 2.145 20 0 BEADMN Oc1ccc(CNCc2cncs2)cc1F ZINC000124304684 589974043 /nfs/dbraw/zinc/97/40/43/589974043.db2.gz NIXMCNGOIZZXOE-UHFFFAOYSA-N 0 1 238.287 2.278 20 0 BEADMN CCOc1cccc(F)c1CN[C@@H]1CCOC1 ZINC000873094856 589984378 /nfs/dbraw/zinc/98/43/78/589984378.db2.gz PUDNTPSZCLDZBI-SNVBAGLBSA-N 0 1 239.290 2.103 20 0 BEADMN C[C@H](NCc1ccon1)[C@@](C)(O)c1ccccc1 ZINC000873134151 589985967 /nfs/dbraw/zinc/98/59/67/589985967.db2.gz XSGDYIYSXHBYJK-SMDDNHRTSA-N 0 1 246.310 2.060 20 0 BEADMN CC(C)OC1(CNCc2ccon2)CCC1 ZINC000873167171 589989364 /nfs/dbraw/zinc/98/93/64/589989364.db2.gz HXBUMPFVMHDYQC-UHFFFAOYSA-N 0 1 224.304 2.112 20 0 BEADMN CC(C)CC1CCN(Cc2cnc(N)cn2)CC1 ZINC000873207274 589994473 /nfs/dbraw/zinc/99/44/73/589994473.db2.gz ULEXRSCZLTZLFC-UHFFFAOYSA-N 0 1 248.374 2.317 20 0 BEADMN CCC[C@@H](CC)C(=O)OCc1n[nH]c(CC)n1 ZINC000873419987 590041437 /nfs/dbraw/zinc/04/14/37/590041437.db2.gz FFHWSUZPYMXTNN-SECBINFHSA-N 0 1 239.319 2.237 20 0 BEADMN CCOC(=O)c1c2cn[nH]c2ccc1C ZINC000873488647 590049993 /nfs/dbraw/zinc/04/99/93/590049993.db2.gz NKFXKOXOCUYMCZ-UHFFFAOYSA-N 0 1 204.229 2.048 20 0 BEADMN CO[C@H](C)COC(=O)c1c2cn[nH]c2ccc1C ZINC000873488776 590050193 /nfs/dbraw/zinc/05/01/93/590050193.db2.gz VUKBXXPRVQYTDX-SECBINFHSA-N 0 1 248.282 2.063 20 0 BEADMN CCC[C@H](CC)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000873547808 590055795 /nfs/dbraw/zinc/05/57/95/590055795.db2.gz JDQUIPZPXFHMKN-BDAKNGLRSA-N 0 1 225.292 2.235 20 0 BEADMN CCCCCC[C@H](C)NC(=O)[C@@H](C)N(C)C ZINC000873916107 590079105 /nfs/dbraw/zinc/07/91/05/590079105.db2.gz PUYOZZAOKVIOGJ-NWDGAFQWSA-N 0 1 228.380 2.412 20 0 BEADMN CC[C@H](CO)N[C@H](C)c1c(F)cccc1F ZINC000020194946 590084155 /nfs/dbraw/zinc/08/41/55/590084155.db2.gz MJFHXYWRAXMJNQ-RKDXNWHRSA-N 0 1 229.270 2.386 20 0 BEADMN CSCC[C@@H](C)NCc1cscn1 ZINC000125036780 590114329 /nfs/dbraw/zinc/11/43/29/590114329.db2.gz CFWSLXJRIUHVOU-MRVPVSSYSA-N 0 1 216.375 2.374 20 0 BEADMN O=C(NOc1ccccc1F)C1CC(F)(F)C1 ZINC000874911205 590154761 /nfs/dbraw/zinc/15/47/61/590154761.db2.gz HXJQURNSRTZKFD-UHFFFAOYSA-N 0 1 245.200 2.281 20 0 BEADMN CC(C)OCCC(=O)NOc1ccccc1F ZINC000874912400 590154928 /nfs/dbraw/zinc/15/49/28/590154928.db2.gz JDVDGKCBKWOWBR-UHFFFAOYSA-N 0 1 241.262 2.051 20 0 BEADMN CC1(C)C[C@H]1C(=O)NOc1ccccc1F ZINC000874911551 590154972 /nfs/dbraw/zinc/15/49/72/590154972.db2.gz LJGNUBJKISRAKC-QMMMGPOBSA-N 0 1 223.247 2.282 20 0 BEADMN O=C(NOc1ccccc1F)[C@@H]1CC12CCC2 ZINC000874912481 590155084 /nfs/dbraw/zinc/15/50/84/590155084.db2.gz YBWIPMHOEDRRMC-VIFPVBQESA-N 0 1 235.258 2.426 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@@H]1CCCC2(CC2)C1 ZINC000888696843 590186167 /nfs/dbraw/zinc/18/61/67/590186167.db2.gz WZKITXFJFLANLJ-LLVKDONJSA-N 0 1 247.342 2.181 20 0 BEADMN CCCCOC(=O)CN1C[C@@H](C)C[C@@H]1C ZINC000125828874 590191854 /nfs/dbraw/zinc/19/18/54/590191854.db2.gz DDVDOISKMFGMQI-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCCN(CC)Cc1cc(OC)cnc1F ZINC000876511230 590205492 /nfs/dbraw/zinc/20/54/92/590205492.db2.gz BIFSBKNFBHLJLU-UHFFFAOYSA-N 0 1 226.295 2.461 20 0 BEADMN CC[C@H](C)N(C)Cc1cc(OC)cnc1F ZINC000876582706 590218665 /nfs/dbraw/zinc/21/86/65/590218665.db2.gz XHWKDGGOTCDWBF-VIFPVBQESA-N 0 1 226.295 2.460 20 0 BEADMN COc1cnc(F)c(CN(C)[C@H](C)C2CC2)c1 ZINC000876590612 590219218 /nfs/dbraw/zinc/21/92/18/590219218.db2.gz ZCUILURGUBPFJP-SECBINFHSA-N 0 1 238.306 2.460 20 0 BEADMN CCCn1cc(CN2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000876656730 590226752 /nfs/dbraw/zinc/22/67/52/590226752.db2.gz GWUFSKBLSMHXPG-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN COCCc1ncc(CN2CCC2(C)C)s1 ZINC000876744186 590235786 /nfs/dbraw/zinc/23/57/86/590235786.db2.gz RZMMAGNULGOADK-UHFFFAOYSA-N 0 1 240.372 2.316 20 0 BEADMN CCCn1cc(CN2CC[C@H](C(C)C)C2)nn1 ZINC000876806407 590244729 /nfs/dbraw/zinc/24/47/29/590244729.db2.gz NLPOXPYAJGJSMN-LBPRGKRZSA-N 0 1 236.363 2.166 20 0 BEADMN Cc1cc(CN2CCSCC2)c(C)o1 ZINC000126213680 590253410 /nfs/dbraw/zinc/25/34/10/590253410.db2.gz PBCNMXMSUJTOIQ-UHFFFAOYSA-N 0 1 211.330 2.445 20 0 BEADMN CCOCCCNCc1nc(Cl)cs1 ZINC000876906219 590255984 /nfs/dbraw/zinc/25/59/84/590255984.db2.gz TWHFWRNFGHRNQW-UHFFFAOYSA-N 0 1 234.752 2.313 20 0 BEADMN CC(C)(C)OCCNCc1ccc(Cl)nn1 ZINC000876988109 590263561 /nfs/dbraw/zinc/26/35/61/590263561.db2.gz VFCYLRLEIJNJGT-UHFFFAOYSA-N 0 1 243.738 2.035 20 0 BEADMN C[C@](O)(CNCc1nc(Cl)cs1)C1CC1 ZINC000877029287 590271631 /nfs/dbraw/zinc/27/16/31/590271631.db2.gz YHORKYSETYSTRL-JTQLQIEISA-N 0 1 246.763 2.047 20 0 BEADMN OC1(CNCc2nc(Cl)cs2)CCCC1 ZINC000877036723 590272976 /nfs/dbraw/zinc/27/29/76/590272976.db2.gz TYVWCEVEEUMXJA-UHFFFAOYSA-N 0 1 246.763 2.191 20 0 BEADMN CC[C@@H](O)CCCNCc1nc(Cl)cs1 ZINC000877056115 590275839 /nfs/dbraw/zinc/27/58/39/590275839.db2.gz YTWNHYSKSFXPAV-MRVPVSSYSA-N 0 1 248.779 2.437 20 0 BEADMN CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)CN)C1 ZINC000877065645 590276499 /nfs/dbraw/zinc/27/64/99/590276499.db2.gz UEJIPRMWBPCSGZ-LBPRGKRZSA-N 0 1 246.354 2.197 20 0 BEADMN C[C@H](CCCO)NCc1nc(Cl)cs1 ZINC000877110058 590286744 /nfs/dbraw/zinc/28/67/44/590286744.db2.gz WTZXBZKEMPODLE-SSDOTTSWSA-N 0 1 234.752 2.047 20 0 BEADMN COC[C@@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877111207 590287159 /nfs/dbraw/zinc/28/71/59/590287159.db2.gz FLJTYGZAEFPIIX-MRVPVSSYSA-N 0 1 246.763 2.311 20 0 BEADMN COc1ncc(CN[C@@H](C)c2ccc[nH]2)s1 ZINC000877124143 590289580 /nfs/dbraw/zinc/28/95/80/590289580.db2.gz JBJINOIYBDRDHA-QMMMGPOBSA-N 0 1 237.328 2.331 20 0 BEADMN C[C@]1(NCc2nc(Cl)cs2)CCCOC1 ZINC000877163388 590294503 /nfs/dbraw/zinc/29/45/03/590294503.db2.gz QITUBEVSRQAIPP-JTQLQIEISA-N 0 1 246.763 2.455 20 0 BEADMN C[C@H](O)C[C@H](C)NCc1nc(Cl)cs1 ZINC000877195807 590299633 /nfs/dbraw/zinc/29/96/33/590299633.db2.gz NJSFSMTUEFTTAB-BQBZGAKWSA-N 0 1 234.752 2.046 20 0 BEADMN CC[C@@](C)(CN1CCC[C@H]1c1ncc[nH]1)OC ZINC000877343961 590318106 /nfs/dbraw/zinc/31/81/06/590318106.db2.gz BKVSHJZDEUDFHJ-AAEUAGOBSA-N 0 1 237.347 2.362 20 0 BEADMN CCCn1cc(CN(CC)CCC2CC2)nn1 ZINC000877353760 590318649 /nfs/dbraw/zinc/31/86/49/590318649.db2.gz XALVEWGLDUVMSW-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN C/C=C/C[C@@H](CO)NCc1nc(Cl)cs1 ZINC000877406220 590324324 /nfs/dbraw/zinc/32/43/24/590324324.db2.gz SEZOVIMLJMXNEY-SGJFDWMWSA-N 0 1 246.763 2.213 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1nc(Cl)cs1 ZINC000877465747 590329890 /nfs/dbraw/zinc/32/98/90/590329890.db2.gz WHAHRAWDZQVHRQ-BQBZGAKWSA-N 0 1 234.752 2.310 20 0 BEADMN c1c(CNC[C@@H]2CCC=CO2)onc1C1CC1 ZINC000877460173 590331074 /nfs/dbraw/zinc/33/10/74/590331074.db2.gz RBGOEUKVKHYNFG-NSHDSACASA-N 0 1 234.299 2.334 20 0 BEADMN CC1CN(Cc2cc(F)ccc2N(C)C)C1 ZINC000877489871 590340135 /nfs/dbraw/zinc/34/01/35/590340135.db2.gz XKSHCOYAKLKKHH-UHFFFAOYSA-N 0 1 222.307 2.343 20 0 BEADMN COc1c(C)cnc(CN2CC(C)C2)c1C ZINC000877489876 590340395 /nfs/dbraw/zinc/34/03/95/590340395.db2.gz XMEOSPLJALAJAC-UHFFFAOYSA-N 0 1 220.316 2.159 20 0 BEADMN Cc1nonc1CNCCc1cc(C)cc(C)c1 ZINC000877527625 590348623 /nfs/dbraw/zinc/34/86/23/590348623.db2.gz UENMTUPRZIZXJA-UHFFFAOYSA-N 0 1 245.326 2.327 20 0 BEADMN CC(F)(F)CCNCc1ccc(Cl)nn1 ZINC000877557249 590357173 /nfs/dbraw/zinc/35/71/73/590357173.db2.gz IXPARQOSCWXTKQ-UHFFFAOYSA-N 0 1 235.665 2.265 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CC2(CC2)C1 ZINC000877556664 590357333 /nfs/dbraw/zinc/35/73/33/590357333.db2.gz WJONNTSRXAVNBN-SSDOTTSWSA-N 0 1 206.116 2.276 20 0 BEADMN C[C@]1(F)CCCN(Cc2ccc(=O)[nH]c2)C1 ZINC000877556943 590357423 /nfs/dbraw/zinc/35/74/23/590357423.db2.gz CZKJAZAWSATKGY-LBPRGKRZSA-N 0 1 224.279 2.111 20 0 BEADMN C[C@H](CC(C)(C)O)NCc1nc(Cl)cs1 ZINC000877563419 590361282 /nfs/dbraw/zinc/36/12/82/590361282.db2.gz LYBWHYBSYUMILA-SSDOTTSWSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@@H](NCc1nc(Cl)cs1)[C@H](C)O ZINC000877569022 590362233 /nfs/dbraw/zinc/36/22/33/590362233.db2.gz XYJZNVWVUDZWKO-NKWVEPMBSA-N 0 1 234.752 2.046 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@H](C)[C@H]2C)nn1 ZINC000877593956 590369690 /nfs/dbraw/zinc/36/96/90/590369690.db2.gz KLWSGLFAAWYFCF-SDDRHHMPSA-N 0 1 236.363 2.164 20 0 BEADMN Clc1csc(CN[C@@H]2CC23CC3)n1 ZINC000877597167 590371302 /nfs/dbraw/zinc/37/13/02/590371302.db2.gz BSTWFXUBVQXSCX-ZCFIWIBFSA-N 0 1 214.721 2.439 20 0 BEADMN CSC(C)(C)CCN(C)Cc1c[nH]cn1 ZINC000877620086 590376203 /nfs/dbraw/zinc/37/62/03/590376203.db2.gz PAKUNEIOCKUTHB-UHFFFAOYSA-N 0 1 227.377 2.373 20 0 BEADMN Cc1ncc(CNC(C)(C)[C@@H]2CCCCO2)o1 ZINC000877702485 590395818 /nfs/dbraw/zinc/39/58/18/590395818.db2.gz UTXHYKDJRMJSKK-LBPRGKRZSA-N 0 1 238.331 2.420 20 0 BEADMN Cc1c(F)nccc1CN[C@@H](C)c1ccnn1C ZINC000877761999 590419564 /nfs/dbraw/zinc/41/95/64/590419564.db2.gz WNRFRGURAAKAAJ-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN CSC1(CN2CC(OC(C)(C)C)C2)CC1 ZINC000877770032 590421444 /nfs/dbraw/zinc/42/14/44/590421444.db2.gz OCICKPGYGHJKEC-UHFFFAOYSA-N 0 1 229.389 2.381 20 0 BEADMN Clc1cnc(CNCCC[C@@H]2CCO2)s1 ZINC000877807442 590426196 /nfs/dbraw/zinc/42/61/96/590426196.db2.gz QXCMVTBTZNGYNZ-MRVPVSSYSA-N 0 1 246.763 2.455 20 0 BEADMN CC(C)(C)c1nc(CSc2c[nH]nn2)co1 ZINC000877889812 590440014 /nfs/dbraw/zinc/44/00/14/590440014.db2.gz QRMWJXPAOQIJSF-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN C=C/C=C\CC[NH+]1CCN(CC(C)C)CC1 ZINC000877894486 590442106 /nfs/dbraw/zinc/44/21/06/590442106.db2.gz OPOHGVGOZUKNFW-WAYWQWQTSA-N 0 1 222.376 2.392 20 0 BEADMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C)cc1 ZINC000877905377 590444363 /nfs/dbraw/zinc/44/43/63/590444363.db2.gz IJNRGTLZFLYHBQ-ZDUSSCGKSA-N 0 1 247.342 2.211 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)[C@@H](C)CO1 ZINC000877920272 590447340 /nfs/dbraw/zinc/44/73/40/590447340.db2.gz IKDMBNFVVSPIJN-XQQFMLRXSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@@H](C)CO1 ZINC000877920855 590447586 /nfs/dbraw/zinc/44/75/86/590447586.db2.gz YTOBZSDISNNXHF-ZUWCUPBKSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)[C@@H](C)CO1 ZINC000877920385 590447869 /nfs/dbraw/zinc/44/78/69/590447869.db2.gz KYXSBZAYIKPIFF-YNEHKIRRSA-N 0 1 239.359 2.197 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000877922153 590448490 /nfs/dbraw/zinc/44/84/90/590448490.db2.gz ICKYMXTXLAGBDR-GBIKHYSHSA-N 0 1 249.358 2.380 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1nccn1CC(F)F ZINC000877929902 590449846 /nfs/dbraw/zinc/44/98/46/590449846.db2.gz QEWYDPCMBKTTRA-SECBINFHSA-N 0 1 243.301 2.379 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)CC(C)(C)C ZINC000877940340 590452795 /nfs/dbraw/zinc/45/27/95/590452795.db2.gz QSCLIOITAZZOAH-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)CCO1 ZINC000877957451 590457607 /nfs/dbraw/zinc/45/76/07/590457607.db2.gz KRMYGWPKZNQBQE-OLZOCXBDSA-N 0 1 239.359 2.056 20 0 BEADMN CC(C)[C@H](O)CCN(C)Cc1ccoc1 ZINC000877988621 590466642 /nfs/dbraw/zinc/46/66/42/590466642.db2.gz JXRUKNHWMFAYHU-GFCCVEGCSA-N 0 1 211.305 2.118 20 0 BEADMN CC(=O)CN(CCc1ccccc1)C1CC1 ZINC000878003202 590471051 /nfs/dbraw/zinc/47/10/51/590471051.db2.gz XPWMCJWJLGPLGZ-UHFFFAOYSA-N 0 1 217.312 2.283 20 0 BEADMN CCN(CC(=O)OC)CC1CC2(CCC2)C1 ZINC000878047723 590481177 /nfs/dbraw/zinc/48/11/77/590481177.db2.gz SRVJRGCVLCYSHX-UHFFFAOYSA-N 0 1 225.332 2.062 20 0 BEADMN CCC(C)(C)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878064194 590486014 /nfs/dbraw/zinc/48/60/14/590486014.db2.gz BMKGJZLPNVNLBE-BXKDBHETSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCOC2)nc1Cl ZINC000878083692 590488593 /nfs/dbraw/zinc/48/85/93/590488593.db2.gz DAZUYHJQEQOZMD-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN C=C/C=C\CCN(CC(N)=O)Cc1ccccc1 ZINC000878099718 590493610 /nfs/dbraw/zinc/49/36/10/590493610.db2.gz VOBGGUFUFYCIOY-ARJAWSKDSA-N 0 1 244.338 2.106 20 0 BEADMN CC[C@H]1COCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000878109453 590495857 /nfs/dbraw/zinc/49/58/57/590495857.db2.gz UQXQACRTWSXKNM-STQMWFEESA-N 0 1 239.359 2.199 20 0 BEADMN CC[C@H]1COCCN1C[C@H]1CCC2(CCC2)O1 ZINC000878109452 590496321 /nfs/dbraw/zinc/49/63/21/590496321.db2.gz UQXQACRTWSXKNM-QWHCGFSZSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1cccnc1NC(=O)CN1C[C@H](C)C[C@H]1C ZINC000878125291 590500906 /nfs/dbraw/zinc/50/09/06/590500906.db2.gz KHSDZQLWAXNXJN-ZYHUDNBSSA-N 0 1 247.342 2.059 20 0 BEADMN C[C@H]1CN(CC(=O)Nc2ccccn2)C(C)(C)C1 ZINC000878158471 590508569 /nfs/dbraw/zinc/50/85/69/590508569.db2.gz HRHZYUCIUWIRMS-LLVKDONJSA-N 0 1 247.342 2.141 20 0 BEADMN CCN(C#N)CCN1CC[C@@H]1Cc1ccccc1 ZINC000878176239 590516227 /nfs/dbraw/zinc/51/62/27/590516227.db2.gz DUFISGIOZZLKRD-OAHLLOKOSA-N 0 1 243.354 2.106 20 0 BEADMN CC[C@@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000878182641 590517616 /nfs/dbraw/zinc/51/76/16/590517616.db2.gz PABYYJNZWGCCMT-GFCCVEGCSA-N 0 1 247.342 2.060 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1CCC2(CCC2)O1 ZINC000878196412 590521798 /nfs/dbraw/zinc/52/17/98/590521798.db2.gz AFSFUSDCYNEITO-FRRDWIJNSA-N 0 1 239.359 2.197 20 0 BEADMN C[C@@H]1OCCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@H]1C ZINC000878197567 590522860 /nfs/dbraw/zinc/52/28/60/590522860.db2.gz OUAYMMOJVFDCAR-HTVCTNPSSA-N 0 1 239.359 2.053 20 0 BEADMN CC(=O)CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000878223818 590526085 /nfs/dbraw/zinc/52/60/85/590526085.db2.gz SFVMCDPJJSUYDU-HUUCEWRRSA-N 0 1 247.338 2.164 20 0 BEADMN C[C@H]1COCCCN1CCCOC(F)(F)F ZINC000878286963 590532009 /nfs/dbraw/zinc/53/20/09/590532009.db2.gz VXKTZIXNEPOADE-VIFPVBQESA-N 0 1 241.253 2.024 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CC2(CCC2)CO1 ZINC000878299907 590537687 /nfs/dbraw/zinc/53/76/87/590537687.db2.gz ZULIEZWGMXSUIM-CQSZACIVSA-N 0 1 246.354 2.473 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1CC2(CCC2)CO1 ZINC000878299906 590537964 /nfs/dbraw/zinc/53/79/64/590537964.db2.gz ZULIEZWGMXSUIM-AWEZNQCLSA-N 0 1 246.354 2.473 20 0 BEADMN CC1(C)CCC[C@H](CN2CCc3n[nH]cc3C2)O1 ZINC000878310321 590539358 /nfs/dbraw/zinc/53/93/58/590539358.db2.gz JVUWTEWLXOSRLK-GFCCVEGCSA-N 0 1 249.358 2.116 20 0 BEADMN Cc1conc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000878328117 590547778 /nfs/dbraw/zinc/54/77/78/590547778.db2.gz BBMSKIBYBIDUCD-UWVGGRQHSA-N 0 1 208.305 2.461 20 0 BEADMN C[C@H](NCC1CC2(CCC2)C1)c1ncn(C)n1 ZINC000878477131 590575428 /nfs/dbraw/zinc/57/54/28/590575428.db2.gz GYGWYGPBDSHWJZ-JTQLQIEISA-N 0 1 234.347 2.046 20 0 BEADMN CC[C@@H]1CN(CCCC2CC2)C[C@H](C)[S@@]1=O ZINC000878607115 590595584 /nfs/dbraw/zinc/59/55/84/590595584.db2.gz UGAFLGGXZYYBMT-GHJWDPDVSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1conc1CN1CC[C@@H](c2ccncc2)C1 ZINC000878629059 590597897 /nfs/dbraw/zinc/59/78/97/590597897.db2.gz UEHBOQUFPYLVAX-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CC(C)N(C[C@H]1CCC2(CCC2)O1)C1COC1 ZINC000878659039 590603564 /nfs/dbraw/zinc/60/35/64/590603564.db2.gz YQGVRIWVTRABGB-CYBMUJFWSA-N 0 1 239.359 2.197 20 0 BEADMN F[C@@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878663510 590605302 /nfs/dbraw/zinc/60/53/02/590605302.db2.gz KHIDUACZEKHRQV-MNOVXSKESA-N 0 1 213.296 2.132 20 0 BEADMN CC1(C)CC[C@H](CN2CC[C@@H](F)C2)OC1 ZINC000878663028 590605420 /nfs/dbraw/zinc/60/54/20/590605420.db2.gz GEUQMHAONPZUSV-GHMZBOCLSA-N 0 1 215.312 2.235 20 0 BEADMN FCCN1CCC[C@@H](c2cccnc2)C1 ZINC000878752939 590618843 /nfs/dbraw/zinc/61/88/43/590618843.db2.gz DPXJZJKDZWNIPN-GFCCVEGCSA-N 0 1 208.280 2.231 20 0 BEADMN Cc1nc([C@@H](C)N2CCC=C(Cl)C2)n[nH]1 ZINC000878790443 590622463 /nfs/dbraw/zinc/62/24/63/590622463.db2.gz LXQWVNTWRDVKOQ-SSDOTTSWSA-N 0 1 226.711 2.003 20 0 BEADMN CCOCCCN1CCC=C(Cl)C1 ZINC000878794220 590624598 /nfs/dbraw/zinc/62/45/98/590624598.db2.gz VWRKCERIDKAIMY-UHFFFAOYSA-N 0 1 203.713 2.241 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(CC2CC(F)(F)C2)C[C@@H]1C ZINC000878837138 590629929 /nfs/dbraw/zinc/62/99/29/590629929.db2.gz SIIKSKCEAZTXPJ-PHIMTYICSA-N 0 1 246.345 2.446 20 0 BEADMN CN(CC1CCCC1)CN1CCSC1=O ZINC000127423102 590655028 /nfs/dbraw/zinc/65/50/28/590655028.db2.gz QNSCBHNCSISUKE-UHFFFAOYSA-N 0 1 228.361 2.235 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)C1CCC1 ZINC000878983188 590667612 /nfs/dbraw/zinc/66/76/12/590667612.db2.gz IKBJDNXYWNFDOP-NOZJJQNGSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1conc1CN(C)C[C@@H]1CC1(C)C ZINC000879008010 590677395 /nfs/dbraw/zinc/67/73/95/590677395.db2.gz MSMLNPNWXMFBBD-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN C[C@H]1CCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879024770 590679911 /nfs/dbraw/zinc/67/99/11/590679911.db2.gz ONPRBISCAWOSHB-NRUUGDAUSA-N 0 1 247.342 2.087 20 0 BEADMN FCC[C@@H]1CN(CCCC2CC2)CCO1 ZINC000879054436 590689329 /nfs/dbraw/zinc/68/93/29/590689329.db2.gz PYBWXFUAVKTQIG-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879173767 590708847 /nfs/dbraw/zinc/70/88/47/590708847.db2.gz SSHPJBLYGPXKIO-RNCFNFMXSA-N 0 1 247.342 2.087 20 0 BEADMN Cc1n[nH]cc1CN(C)C[C@@H]1CCC2(CCC2)O1 ZINC000879188638 590710339 /nfs/dbraw/zinc/71/03/39/590710339.db2.gz OPROQWCGQKUPOD-ZDUSSCGKSA-N 0 1 249.358 2.252 20 0 BEADMN CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127573064 590713592 /nfs/dbraw/zinc/71/35/92/590713592.db2.gz CQEULNOAUIFYME-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)NCCN1CCC1 ZINC000879270560 590725857 /nfs/dbraw/zinc/72/58/57/590725857.db2.gz RSGBCNQYHUYKBN-TZMCWYRMSA-N 0 1 238.375 2.025 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)NCCN1CCC1 ZINC000879270558 590726147 /nfs/dbraw/zinc/72/61/47/590726147.db2.gz RSGBCNQYHUYKBN-JSGCOSHPSA-N 0 1 238.375 2.025 20 0 BEADMN COc1cccc([C@H]2C[N@@H+](CC(C)C)CCN2)c1 ZINC000879526015 590789385 /nfs/dbraw/zinc/78/93/85/590789385.db2.gz HNUFSWVIEPTCSV-OAHLLOKOSA-N 0 1 248.370 2.298 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)[nH]1 ZINC000879531188 590793326 /nfs/dbraw/zinc/79/33/26/590793326.db2.gz YTLCURQVVHCIKB-SDDRHHMPSA-N 0 1 246.358 2.326 20 0 BEADMN CCCn1ncnc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530154 590793628 /nfs/dbraw/zinc/79/36/28/590793628.db2.gz MMDGVHRDEPZLCF-BETUJISGSA-N 0 1 246.358 2.086 20 0 BEADMN CC(C)c1nnc(CN2C[C@@H]3CC=CC[C@@H]3C2)[nH]1 ZINC000879530159 590793751 /nfs/dbraw/zinc/79/37/51/590793751.db2.gz MRGNVBQSYZPBDP-TXEJJXNPSA-N 0 1 246.358 2.326 20 0 BEADMN CC(C)C[C@@H](O)CN[C@H](C)c1cscn1 ZINC000127837878 590796450 /nfs/dbraw/zinc/79/64/50/590796450.db2.gz DBMOTVSABWUTEA-NXEZZACHSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@H](c1cnccn1)N1CCC(C(C)(C)O)CC1 ZINC000879628161 590840054 /nfs/dbraw/zinc/84/00/54/590840054.db2.gz ICNWLNLWVLUPPR-LLVKDONJSA-N 0 1 249.358 2.021 20 0 BEADMN CCCCCN(CC(=O)NC)Cc1ccccc1 ZINC000879754349 590863874 /nfs/dbraw/zinc/86/38/74/590863874.db2.gz MRBZPYKSBXEOTD-UHFFFAOYSA-N 0 1 248.370 2.425 20 0 BEADMN Cl/C=C\CN[C@@H]1CCCn2nccc21 ZINC000879786520 590868175 /nfs/dbraw/zinc/86/81/75/590868175.db2.gz SOZYATLKAAGTJS-JHYPKJRRSA-N 0 1 211.696 2.060 20 0 BEADMN CSCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000880044062 590913588 /nfs/dbraw/zinc/91/35/88/590913588.db2.gz AMDNQXBIPUYAAX-MRVPVSSYSA-N 0 1 243.294 2.003 20 0 BEADMN C[C@@]1(C(F)(F)F)CCN(CCOC(F)F)C1 ZINC000880004141 590908882 /nfs/dbraw/zinc/90/88/82/590908882.db2.gz RBOPNXWIPXOQMO-MRVPVSSYSA-N 0 1 247.207 2.500 20 0 BEADMN Cc1nonc1CN(C)C[C@@H](C)C(C)(C)C ZINC000880077325 590920752 /nfs/dbraw/zinc/92/07/52/590920752.db2.gz ZTTLRXHWFIZDED-SECBINFHSA-N 0 1 225.336 2.492 20 0 BEADMN O=C(C=C1CCCC1)Nc1cccc2[nH]nnc21 ZINC000880196061 590956722 /nfs/dbraw/zinc/95/67/22/590956722.db2.gz CISGWBHXTIJWNT-UHFFFAOYSA-N 0 1 242.282 2.397 20 0 BEADMN CC/C=C\CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880195328 590956777 /nfs/dbraw/zinc/95/67/77/590956777.db2.gz QYDPSINHNAMNAI-KXQOAOKJSA-N 0 1 247.342 2.158 20 0 BEADMN O[C@H]1C[C@](NC/C=C/Cl)(c2ccccc2)C1 ZINC000880225325 590960730 /nfs/dbraw/zinc/96/07/30/590960730.db2.gz PIDFFHXFSYFTDU-LLKUTVGBSA-N 0 1 237.730 2.379 20 0 BEADMN COc1cc(CN2CCC[C@H](CF)C2)ccn1 ZINC000880236841 590968381 /nfs/dbraw/zinc/96/83/81/590968381.db2.gz KJDMHXFNQRRLAR-GFCCVEGCSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cc(CN2CCC[C@@H](CF)C2)nc(C)n1 ZINC000880238773 590970668 /nfs/dbraw/zinc/97/06/68/590970668.db2.gz XJUQZIGRNDQSLR-LBPRGKRZSA-N 0 1 237.322 2.275 20 0 BEADMN Cc1ncc(CN2CCC(F)CC2)s1 ZINC000880239847 590972947 /nfs/dbraw/zinc/97/29/47/590972947.db2.gz GOTOPWOAQPFGPL-UHFFFAOYSA-N 0 1 214.309 2.385 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)nc1 ZINC000880240293 590974541 /nfs/dbraw/zinc/97/45/41/590974541.db2.gz TUFVHAMQFSPKKT-UHFFFAOYSA-N 0 1 224.279 2.024 20 0 BEADMN CCc1noc(C)c1CN1CCC(F)CC1 ZINC000880242099 590975486 /nfs/dbraw/zinc/97/54/86/590975486.db2.gz PGZFOHGUQBMKLO-UHFFFAOYSA-N 0 1 226.295 2.479 20 0 BEADMN CCC(CC)NC(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880242772 590975849 /nfs/dbraw/zinc/97/58/49/590975849.db2.gz KLXGGSLAHZKJJV-SNVBAGLBSA-N 0 1 244.354 2.114 20 0 BEADMN FC[C@@H]1CCN(Cc2cn3ccccc3n2)C1 ZINC000880293212 590987090 /nfs/dbraw/zinc/98/70/90/590987090.db2.gz ZVODCJMKHOQPLO-NSHDSACASA-N 0 1 233.290 2.126 20 0 BEADMN C[C@]1(c2ccccc2)CCC[N@H+]1CCC(=O)[O-] ZINC000880372476 591013978 /nfs/dbraw/zinc/01/39/78/591013978.db2.gz YAMQJFBAPGVLLC-CQSZACIVSA-N 0 1 233.311 2.472 20 0 BEADMN c1nc(CN[C@@H]2CCC[C@]23CCCO3)cs1 ZINC000880511393 591082469 /nfs/dbraw/zinc/08/24/69/591082469.db2.gz LVFQJGGUINDVPB-NEPJUHHUSA-N 0 1 238.356 2.334 20 0 BEADMN CC(C)=CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880612160 591110870 /nfs/dbraw/zinc/11/08/70/591110870.db2.gz FCUKHVCGKQFTGC-LBPRGKRZSA-N 0 1 238.375 2.141 20 0 BEADMN COc1ccc(C[C@H](C)NCc2ccon2)cc1 ZINC000129025960 591207758 /nfs/dbraw/zinc/20/77/58/591207758.db2.gz FZYWVAXNYFBHTE-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN O=C(NC[C@H]1C=CCC1)c1cccc2nc[nH]c21 ZINC000881494918 591218182 /nfs/dbraw/zinc/21/81/82/591218182.db2.gz DNEJVZFKYWESJX-JTQLQIEISA-N 0 1 241.294 2.259 20 0 BEADMN CCC[C@@H](C)CCNC(=O)c1[nH]nc2c1CCC2 ZINC000881529909 591230501 /nfs/dbraw/zinc/23/05/01/591230501.db2.gz SRSLEMFALHVBFO-SNVBAGLBSA-N 0 1 249.358 2.455 20 0 BEADMN CCC[C@H](C)CCNC(=O)CN(CC)C1CC1 ZINC000881529345 591230781 /nfs/dbraw/zinc/23/07/81/591230781.db2.gz GUSQQCGPHGFVOI-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CCC(F)CC1 ZINC000881610244 591256295 /nfs/dbraw/zinc/25/62/95/591256295.db2.gz CMIFJHCCNHDVPY-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN CC(C)[C@H](O)CCSc1nc(C2CC2)n[nH]1 ZINC000882088841 591295934 /nfs/dbraw/zinc/29/59/34/591295934.db2.gz JUFCJBZVVUOYJM-SECBINFHSA-N 0 1 241.360 2.181 20 0 BEADMN CC(C)[C@H](O)CCSc1n[nH]c(C2CC2)n1 ZINC000882088841 591295936 /nfs/dbraw/zinc/29/59/36/591295936.db2.gz JUFCJBZVVUOYJM-SECBINFHSA-N 0 1 241.360 2.181 20 0 BEADMN C[C@H]1c2sccc2CCN1C(=O)c1ccn[nH]1 ZINC000882187365 591312990 /nfs/dbraw/zinc/31/29/90/591312990.db2.gz MNLGBWLIYDOBJY-QMMMGPOBSA-N 0 1 247.323 2.231 20 0 BEADMN C[C@@H](CNC(=O)[C@@H](N)c1ccccc1)C(C)(C)C ZINC000129498788 591313058 /nfs/dbraw/zinc/31/30/58/591313058.db2.gz NVDJLHPGRDHMHL-AAEUAGOBSA-N 0 1 248.370 2.485 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CC(C)(C)CC ZINC000882488004 591363003 /nfs/dbraw/zinc/36/30/03/591363003.db2.gz MWMQBDLQJHDVJF-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000882487167 591363906 /nfs/dbraw/zinc/36/39/06/591363906.db2.gz AXXFBSPZKYMODX-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)/C=C(/C)C(C)(C)C ZINC000882488030 591364629 /nfs/dbraw/zinc/36/46/29/591364629.db2.gz NJEVQPHVNDKCIB-MMRAYRKESA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H](CC(=O)NC[C@H]1CCN1CC)C(C)C ZINC000882487028 591365027 /nfs/dbraw/zinc/36/50/27/591365027.db2.gz QZEHTAXEKWOUOQ-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC(CCC)C(=O)NC[C@H]1CCN1CC ZINC000882488599 591366853 /nfs/dbraw/zinc/36/68/53/591366853.db2.gz HHEDOFPRCMBTEM-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H](C(=O)NC[C@H]1CCN1CC)C(C)C ZINC000882490556 591370518 /nfs/dbraw/zinc/37/05/18/591370518.db2.gz RFHIDELSIUMNEI-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000882492182 591372534 /nfs/dbraw/zinc/37/25/34/591372534.db2.gz PZGUZPPAXKPLFN-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)NC[C@@H]1CCN1CC ZINC000882495358 591375005 /nfs/dbraw/zinc/37/50/05/591375005.db2.gz XTFNBCNSGTVRBL-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC000882493689 591375561 /nfs/dbraw/zinc/37/55/61/591375561.db2.gz KEKGFUGTXPSGNH-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC ZINC000882493744 591375839 /nfs/dbraw/zinc/37/58/39/591375839.db2.gz LDOSNJAKGHRNFW-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CCc1[nH]n(-c2cccnc2Cl)c(=O)c1C ZINC000129809785 591410633 /nfs/dbraw/zinc/41/06/33/591410633.db2.gz BRZYQKLDYSLQFE-ZETCQYMHSA-N 0 1 237.690 2.484 20 0 BEADMN CCC(N)=NOC[C@H]1CC(C)(C)OC1(C)C ZINC000882958793 591484883 /nfs/dbraw/zinc/48/48/83/591484883.db2.gz KUKIWLUQDZYNOT-SECBINFHSA-N 0 1 228.336 2.489 20 0 BEADMN CC[C@@H](COC)NCc1nc(C(C)C)c[nH]1 ZINC000883016110 591514482 /nfs/dbraw/zinc/51/44/82/591514482.db2.gz ODDUALFGGACDQG-JTQLQIEISA-N 0 1 225.336 2.048 20 0 BEADMN Cc1cc(CN[C@H]2CCO[C@H](C3CC3)C2)no1 ZINC000883088758 591538443 /nfs/dbraw/zinc/53/84/43/591538443.db2.gz PLNNWFZLFYRRAY-AAEUAGOBSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)c1c[nH]c(CNCCc2ccoc2)n1 ZINC000883174950 591562838 /nfs/dbraw/zinc/56/28/38/591562838.db2.gz VTASYCCKWVLBJP-UHFFFAOYSA-N 0 1 233.315 2.458 20 0 BEADMN Cc1nonc1CNC[C@@H](C)c1ccccc1 ZINC000131184099 591566905 /nfs/dbraw/zinc/56/69/05/591566905.db2.gz DDCJLZHFWSHXQZ-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN CCn1nc(C)c(CNC[C@]2(C)CC2(C)C)n1 ZINC000883252785 591593453 /nfs/dbraw/zinc/59/34/53/591593453.db2.gz YMBRBFWLHAFOKW-ZDUSSCGKSA-N 0 1 236.363 2.132 20 0 BEADMN C=C/C=C/CCNCc1cn(C2CCC2)nn1 ZINC000883260190 591597260 /nfs/dbraw/zinc/59/72/60/591597260.db2.gz MTSDZTLCCSWTGL-ONEGZZNKSA-N 0 1 232.331 2.225 20 0 BEADMN Cc1ccc(CN[C@H]2CCO[C@H]2C)c(Cl)n1 ZINC000883292859 591608840 /nfs/dbraw/zinc/60/88/40/591608840.db2.gz BXBGFONYQPBCJL-ONGXEEELSA-N 0 1 240.734 2.310 20 0 BEADMN Cc1ccc(CN[C@H]2CCCOC2)c(Cl)n1 ZINC000883301561 591609972 /nfs/dbraw/zinc/60/99/72/591609972.db2.gz CSELXQAMNQDGLJ-NSHDSACASA-N 0 1 240.734 2.312 20 0 BEADMN CC[C@H](C)NC1(c2ncccn2)CCC1 ZINC000883313648 591612817 /nfs/dbraw/zinc/61/28/17/591612817.db2.gz JDMJMZQZBICSRS-JTQLQIEISA-N 0 1 205.305 2.244 20 0 BEADMN C[C@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000027342082 591613168 /nfs/dbraw/zinc/61/31/68/591613168.db2.gz GZYRAQKVDOUDET-NSHDSACASA-N 0 1 248.326 2.063 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](CC)C1 ZINC000131566165 591622785 /nfs/dbraw/zinc/62/27/85/591622785.db2.gz JAVJSOVUFVCEPW-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN C/C(=C\C[N@@H+]1CCC[C@H](C)[C@H]1C)C(=O)[O-] ZINC000214568234 591635690 /nfs/dbraw/zinc/63/56/90/591635690.db2.gz TUCGBUVFCOXHMO-XHHWIUDKSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C[N@H+](C)Cc1cccc(F)c1)C(=O)[O-] ZINC000214594669 591635694 /nfs/dbraw/zinc/63/56/94/591635694.db2.gz ZLRZYKXIPCVOJD-UXBLZVDNSA-N 0 1 237.274 2.288 20 0 BEADMN C[C@H](CCO)N[C@H]1c2ccccc2CC[C@H]1F ZINC000883376124 591636678 /nfs/dbraw/zinc/63/66/78/591636678.db2.gz FOXLNNYXBLGLQG-HONMWMINSA-N 0 1 237.318 2.373 20 0 BEADMN F[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCOC1 ZINC000883376418 591637210 /nfs/dbraw/zinc/63/72/10/591637210.db2.gz KEXXROXJMBZRNE-YUTCNCBUSA-N 0 1 235.302 2.391 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883404931 591649728 /nfs/dbraw/zinc/64/97/28/591649728.db2.gz UDPWFKSZAGMPTL-ZJUUUORDSA-N 0 1 247.285 2.218 20 0 BEADMN CC[N@@H+](C/C=C(\C)C(=O)[O-])C1CCCC1 ZINC000214602927 591676001 /nfs/dbraw/zinc/67/60/01/591676001.db2.gz ORVPEEDQBHAZBS-CSKARUKUSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)(C)OCC[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000133286360 591784028 /nfs/dbraw/zinc/78/40/28/591784028.db2.gz QRXHSHCYIWWNQB-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CCn1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000883998194 591790240 /nfs/dbraw/zinc/79/02/40/591790240.db2.gz YBVAROYZIMMHDJ-DGCLKSJQSA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@H](C)C(C)(C)C)nn1 ZINC000883999649 591790559 /nfs/dbraw/zinc/79/05/59/591790559.db2.gz NQDXZJKRWZMHHG-SNVBAGLBSA-N 0 1 224.352 2.164 20 0 BEADMN CCn1cc(CN2CCC3(CCCC3)C2)nn1 ZINC000884003182 591790975 /nfs/dbraw/zinc/79/09/75/591790975.db2.gz CYNUFWVEPAQGEZ-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CCn1cc(CN2CCCCC[C@H]2C)nn1 ZINC000884002561 591791961 /nfs/dbraw/zinc/79/19/61/591791961.db2.gz MTDUFYPDLVWXSX-LLVKDONJSA-N 0 1 222.336 2.063 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000134828071 591953546 /nfs/dbraw/zinc/95/35/46/591953546.db2.gz UDMVEZHEVMOIHA-RZZPXTMHSA-N 0 1 223.316 2.282 20 0 BEADMN C=C/C=C/CCOC(=O)[C@H](C(C)C)N(C)C ZINC000884501326 591959269 /nfs/dbraw/zinc/95/92/69/591959269.db2.gz FJHCUZKORKPWFQ-GUOLPTJISA-N 0 1 225.332 2.248 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CC(N(C)C)C1 ZINC000135022761 591973543 /nfs/dbraw/zinc/97/35/43/591973543.db2.gz GBBFGXCXHOOUFS-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN O=C(NOC1CCCC1)[C@H]1Cc2ccccc21 ZINC000135357043 592009155 /nfs/dbraw/zinc/00/91/55/592009155.db2.gz DCUHGHXOBVFPRF-ZDUSSCGKSA-N 0 1 231.295 2.317 20 0 BEADMN Cc1coc(C(=O)OCCN2CCCCC2)c1 ZINC000884710328 592013442 /nfs/dbraw/zinc/01/34/42/592013442.db2.gz FUFWNLJMACJFJP-UHFFFAOYSA-N 0 1 237.299 2.231 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1CCC1 ZINC000885255919 592060944 /nfs/dbraw/zinc/06/09/44/592060944.db2.gz YNMDJKLIFGNMHV-RNCFNFMXSA-N 0 1 248.326 2.419 20 0 BEADMN CC(C)OC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885260066 592061369 /nfs/dbraw/zinc/06/13/69/592061369.db2.gz CGJIBVLGXSSVCF-LDYMZIIASA-N 0 1 222.288 2.027 20 0 BEADMN Oc1ccc(CNCc2cncs2)cc1 ZINC000136004678 592090674 /nfs/dbraw/zinc/09/06/74/592090674.db2.gz GKDYPTCVSZNCAO-UHFFFAOYSA-N 0 1 220.297 2.139 20 0 BEADMN CC1(C)CN(C[C@H]2CC[C@@H](C3CC3)O2)CCO1 ZINC000885931371 592109624 /nfs/dbraw/zinc/10/96/24/592109624.db2.gz SNGIXPLASRRMTA-OLZOCXBDSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@@H](C)CO1 ZINC000885940117 592110670 /nfs/dbraw/zinc/11/06/70/592110670.db2.gz BHVPMQAYSWHRSA-UZGDPCLZSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)[C@@H](C)CO1 ZINC000885940117 592110672 /nfs/dbraw/zinc/11/06/72/592110672.db2.gz BHVPMQAYSWHRSA-UZGDPCLZSA-N 0 1 239.359 2.053 20 0 BEADMN CCN(Cc1ccoc1)C[C@@](C)(O)C(F)F ZINC000885981323 592119750 /nfs/dbraw/zinc/11/97/50/592119750.db2.gz CCKVACWPEYCLAM-LLVKDONJSA-N 0 1 233.258 2.118 20 0 BEADMN Cc1[nH]nc(CNCc2ccn(C(C)C)n2)c1C ZINC000885994272 592124469 /nfs/dbraw/zinc/12/44/69/592124469.db2.gz HBROHLCPFFIPFY-UHFFFAOYSA-N 0 1 247.346 2.094 20 0 BEADMN COC[C@H](NCc1n[nH]c(C)c1C)c1ccco1 ZINC000886007942 592129029 /nfs/dbraw/zinc/12/90/29/592129029.db2.gz CDXLDKDREWKJDZ-LBPRGKRZSA-N 0 1 249.314 2.097 20 0 BEADMN Cc1[nH]nc(CNc2cncc(C)c2)c1C ZINC000886041498 592139413 /nfs/dbraw/zinc/13/94/13/592139413.db2.gz NEAHBENGQGTWFZ-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)c2ccns2)c1C ZINC000886173039 592169105 /nfs/dbraw/zinc/16/91/05/592169105.db2.gz DMLINCFQSDSBRP-VIFPVBQESA-N 0 1 236.344 2.334 20 0 BEADMN Cc1n[nH]c(CN[C@@H]2C[C@H]2C(F)(F)F)c1C ZINC000886176700 592170936 /nfs/dbraw/zinc/17/09/36/592170936.db2.gz JKQJJDOZQPCLCU-HTQZYQBOSA-N 0 1 233.237 2.067 20 0 BEADMN C(CN1CCOCC12CC2)[C@@H]1C[C@H]1C1CC1 ZINC000886194651 592170994 /nfs/dbraw/zinc/17/09/94/592170994.db2.gz WWQOOMRYOROVFU-OLZOCXBDSA-N 0 1 221.344 2.287 20 0 BEADMN CON(Cc1[nH]ncc1C)CC(C)(C)C ZINC000886203186 592174586 /nfs/dbraw/zinc/17/45/86/592174586.db2.gz PCQPJCRPJYZIEQ-UHFFFAOYSA-N 0 1 211.309 2.128 20 0 BEADMN CC(C)OC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000886270545 592192050 /nfs/dbraw/zinc/19/20/50/592192050.db2.gz GRBOLUWTCSHTHD-SNVBAGLBSA-N 0 1 238.331 2.455 20 0 BEADMN C[C@@H](NC1CCSCC1)c1ncco1 ZINC000886276058 592195786 /nfs/dbraw/zinc/19/57/86/592195786.db2.gz VUIATKNABYLJET-MRVPVSSYSA-N 0 1 212.318 2.221 20 0 BEADMN Cc1nc(CNC[C@H]2CC3(CCC3)CO2)[nH]c1C ZINC000886287719 592200912 /nfs/dbraw/zinc/20/09/12/592200912.db2.gz YQMJGEJSYXWUMH-GFCCVEGCSA-N 0 1 249.358 2.075 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1C[C@]13CCOC3)C2 ZINC000886297581 592202607 /nfs/dbraw/zinc/20/26/07/592202607.db2.gz VAWRPPWWSGEJDT-ZFWWWQNUSA-N 0 1 245.322 2.134 20 0 BEADMN CCn1cc(Cl)c(NCc2[nH]ncc2C)n1 ZINC000886368208 592220558 /nfs/dbraw/zinc/22/05/58/592220558.db2.gz HOKPKFWZZLDRIT-UHFFFAOYSA-N 0 1 239.710 2.200 20 0 BEADMN Cc1cccc(CCN[C@@H](C)c2ncco2)n1 ZINC000886538462 592252046 /nfs/dbraw/zinc/25/20/46/592252046.db2.gz ILJCFHHXDRAPQZ-NSHDSACASA-N 0 1 231.299 2.271 20 0 BEADMN C[C@H](NCCC[C@@H]1CCOC1)c1ncco1 ZINC000886539353 592253930 /nfs/dbraw/zinc/25/39/30/592253930.db2.gz YHGKOKSIFVPKBQ-WDEREUQCSA-N 0 1 224.304 2.142 20 0 BEADMN Cc1nc(CN2C[C@@H]3CSC[C@@H]3C2)cs1 ZINC000886554995 592258390 /nfs/dbraw/zinc/25/83/90/592258390.db2.gz IDUSVRICIPIXQO-AOOOYVTPSA-N 0 1 240.397 2.246 20 0 BEADMN CC[C@H](C)C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886591350 592271318 /nfs/dbraw/zinc/27/13/18/592271318.db2.gz RTRSNERBTLRWAK-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN c1nc(CN2CC[C@@H]([C@H]3CCCO3)C2)cs1 ZINC000886835037 592356407 /nfs/dbraw/zinc/35/64/07/592356407.db2.gz HIBMJGFDYKLNOZ-ZYHUDNBSSA-N 0 1 238.356 2.144 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@@H](O)[C@H]2C)c1 ZINC000887033480 592426646 /nfs/dbraw/zinc/42/66/46/592426646.db2.gz QEYSBDUDOCUCFJ-IAQYHMDHSA-N 0 1 247.338 2.234 20 0 BEADMN CN(CCCF)C[C@@H](O)c1c(F)cccc1F ZINC000887137635 592453152 /nfs/dbraw/zinc/45/31/52/592453152.db2.gz ORZCIKZUSLWXIF-LLVKDONJSA-N 0 1 247.260 2.290 20 0 BEADMN CN(CCCF)Cc1cc(CO)ccc1F ZINC000887142263 592457423 /nfs/dbraw/zinc/45/74/23/592457423.db2.gz CNJQYOSFRYSWCY-UHFFFAOYSA-N 0 1 229.270 2.109 20 0 BEADMN CN(CCCF)Cc1cc(C2CC2)no1 ZINC000887142315 592459466 /nfs/dbraw/zinc/45/94/66/592459466.db2.gz FKPIFCDLSTYGNB-UHFFFAOYSA-N 0 1 212.268 2.343 20 0 BEADMN COC(=O)c1ccoc1CNC1(C2CC2)CCC1 ZINC000887144892 592460939 /nfs/dbraw/zinc/46/09/39/592460939.db2.gz DPWLCZQMNAPCNX-UHFFFAOYSA-N 0 1 249.310 2.489 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1C1CCSCC1 ZINC000887292977 592477197 /nfs/dbraw/zinc/47/71/97/592477197.db2.gz NRDKRONMBHNSJB-UHFFFAOYSA-N 0 1 238.356 2.270 20 0 BEADMN CCC1=NN([C@@H]2CCCSC2)C(=O)[C@H]1C ZINC000887298982 592478119 /nfs/dbraw/zinc/47/81/19/592478119.db2.gz MLJMFFHOHJKQPY-DTWKUNHWSA-N 0 1 226.345 2.126 20 0 BEADMN CCc1[nH]n([C@@H]2CCCSC2)c(=O)c1C ZINC000887298982 592478121 /nfs/dbraw/zinc/47/81/21/592478121.db2.gz MLJMFFHOHJKQPY-DTWKUNHWSA-N 0 1 226.345 2.126 20 0 BEADMN CN1CCCC[C@H]1C(=O)NCC(C)(C)C1CC1 ZINC000887376973 592497837 /nfs/dbraw/zinc/49/78/37/592497837.db2.gz UNVPHNZHXIAEQP-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(CNCC[S@@](C)=O)c(Cl)c1 ZINC000300214404 592504653 /nfs/dbraw/zinc/50/46/53/592504653.db2.gz QRNRKPBQLABFOJ-OAHLLOKOSA-N 0 1 245.775 2.117 20 0 BEADMN O=C(CCc1cnc[nH]1)N1CC[C@@H]1C1CCCC1 ZINC000889407155 592609081 /nfs/dbraw/zinc/60/90/81/592609081.db2.gz KFQURCQLEFUXHF-CYBMUJFWSA-N 0 1 247.342 2.133 20 0 BEADMN CC[C@@H](NC)c1nc(-c2cccc(C)n2)no1 ZINC000110473374 592707626 /nfs/dbraw/zinc/70/76/26/592707626.db2.gz QREIGAMEHBQPOK-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN COc1nccnc1C[N@@H+](C)C1CCC(C)CC1 ZINC000294593698 592725669 /nfs/dbraw/zinc/72/56/69/592725669.db2.gz SIGZDSBMQORSON-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN COc1nccnc1CN(C)C1CCC(C)CC1 ZINC000294593698 592725670 /nfs/dbraw/zinc/72/56/70/592725670.db2.gz SIGZDSBMQORSON-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H]1C ZINC000380602203 601450758 /nfs/dbraw/zinc/45/07/58/601450758.db2.gz XIQFJGFKBUQFAL-GARJFASQSA-N 0 1 213.321 2.360 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(CNC(=O)[O-])cc1 ZINC000738834215 602668712 /nfs/dbraw/zinc/66/87/12/602668712.db2.gz JTOLEYIDKOUWJQ-UHFFFAOYSA-N 0 1 236.315 2.294 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000082791629 597056646 /nfs/dbraw/zinc/05/66/46/597056646.db2.gz RDMRBGFOUGFXBP-ZJUUUORDSA-N 0 1 219.284 2.079 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000092430971 597071462 /nfs/dbraw/zinc/07/14/62/597071462.db2.gz WVECUSJNGHFRII-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN CCC(C)(C)[N@@H+](C)CCCCC(=O)[O-] ZINC000068999995 597794890 /nfs/dbraw/zinc/79/48/90/597794890.db2.gz YTJYTXQEBACMJJ-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCCCC(=O)[O-] ZINC000394913405 597801403 /nfs/dbraw/zinc/80/14/03/597801403.db2.gz HRAHOIQGPOPJLZ-NSHDSACASA-N 0 1 236.315 2.329 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000380799415 597801507 /nfs/dbraw/zinc/80/15/07/597801507.db2.gz BNXBGNJBNRHCEY-QMMMGPOBSA-N 0 1 239.237 2.126 20 0 BEADMN C[C@H]1CC[N@@H+](CCCC(=O)[O-])CC12CCC2 ZINC000390138737 597805653 /nfs/dbraw/zinc/80/56/53/597805653.db2.gz NKZFOYJBIPWPRJ-NSHDSACASA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1C ZINC000086789410 598128925 /nfs/dbraw/zinc/12/89/25/598128925.db2.gz PBJMBPVPXSHOGI-CYBMUJFWSA-N 0 1 233.311 2.210 20 0 BEADMN Cc1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1C ZINC000083406671 598130823 /nfs/dbraw/zinc/13/08/23/598130823.db2.gz UYUNKNZQQZCQFC-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000235161016 598131788 /nfs/dbraw/zinc/13/17/88/598131788.db2.gz PTZKYZHLVXDAAD-ZCFIWIBFSA-N 0 1 247.216 2.009 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)o1 ZINC000054300284 598151234 /nfs/dbraw/zinc/15/12/34/598151234.db2.gz JXHBLVLDVRFCFA-NSHDSACASA-N 0 1 237.299 2.275 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CCC(=O)[O-] ZINC000820200044 598205518 /nfs/dbraw/zinc/20/55/18/598205518.db2.gz UHBPFQJYLIGCFV-VIFPVBQESA-N 0 1 248.282 2.295 20 0 BEADMN CCC[N@@H+](C/C=C(/C)C(=O)[O-])CC(C)C ZINC000379803139 601159407 /nfs/dbraw/zinc/15/94/07/601159407.db2.gz MXUPXASQQOUAJL-WDZFZDKYSA-N 0 1 213.321 2.385 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@H](C)[C@H]1C)C(=O)[O-] ZINC000084002931 601171197 /nfs/dbraw/zinc/17/11/97/601171197.db2.gz TUCGBUVFCOXHMO-JAPXBJLTSA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@@H](CC(C)C)C1)C(=O)[O-] ZINC000307825884 601179741 /nfs/dbraw/zinc/17/97/41/601179741.db2.gz WCEMYUNFGZGEJF-MCWZUMHDSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000037914292 599772078 /nfs/dbraw/zinc/77/20/78/599772078.db2.gz HEKDYKRZDPTXOZ-VIFPVBQESA-N 0 1 223.272 2.352 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])CC(C)(C)C ZINC000045074582 599994465 /nfs/dbraw/zinc/99/44/65/599994465.db2.gz MCTZWLJPUPIRMB-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000071425052 600129202 /nfs/dbraw/zinc/12/92/02/600129202.db2.gz SAXWGHNXALNTSB-JTQLQIEISA-N 0 1 239.340 2.087 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000309703841 600317622 /nfs/dbraw/zinc/31/76/22/600317622.db2.gz UNXNOJBOALPVLY-LLVKDONJSA-N 0 1 222.288 2.016 20 0 BEADMN CCS[C@@H]1CCCC[N@@H+](CCC(=O)[O-])C1 ZINC000236874118 600433969 /nfs/dbraw/zinc/43/39/69/600433969.db2.gz HBGNNPGFBBXIOY-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000070499504 600627274 /nfs/dbraw/zinc/62/72/74/600627274.db2.gz IUYQTBRCNRSWFE-NSHDSACASA-N 0 1 247.338 2.328 20 0 BEADMN CCCCCC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042705816 600713155 /nfs/dbraw/zinc/71/31/55/600713155.db2.gz HGSBOJWJUZHIIP-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC2(CCCC2)C1 ZINC000174266002 600849193 /nfs/dbraw/zinc/84/91/93/600849193.db2.gz UZNIKPWFZCKCCS-UHFFFAOYSA-N 0 1 211.305 2.117 20 0 BEADMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])C1CC1 ZINC000083406051 600950464 /nfs/dbraw/zinc/95/04/64/600950464.db2.gz QHUDROXYPVMRRS-JTQLQIEISA-N 0 1 219.284 2.297 20 0 BEADMN CC(C)[N@H+](CCC(=O)[O-])C/C(Cl)=C/Cl ZINC000086000641 601054601 /nfs/dbraw/zinc/05/46/01/601054601.db2.gz BTMHCQKLHJEFEW-YVMONPNESA-N 0 1 240.130 2.491 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])C/C(Cl)=C/Cl ZINC000086000641 601054604 /nfs/dbraw/zinc/05/46/04/601054604.db2.gz BTMHCQKLHJEFEW-YVMONPNESA-N 0 1 240.130 2.491 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2ccccc2[C@@H]1C ZINC000308858135 601116542 /nfs/dbraw/zinc/11/65/42/601116542.db2.gz QPGHFDKXDSYSKT-IUCAKERBSA-N 0 1 205.257 2.036 20 0 BEADMN C/C(=C/C[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000084002838 601155980 /nfs/dbraw/zinc/15/59/80/601155980.db2.gz DWYJILUZUWFYSG-POHAHGRESA-N 0 1 211.305 2.138 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccoc1 ZINC000688585089 601161856 /nfs/dbraw/zinc/16/18/56/601161856.db2.gz CDJJKQWHZWKUNC-WMZJFQQLSA-N 0 1 223.272 2.132 20 0 BEADMN C/C(=C/C[N@H+](C(C)C)C1CCC1)C(=O)[O-] ZINC000825724266 601171442 /nfs/dbraw/zinc/17/14/42/601171442.db2.gz LHMMSKHRKDLSIX-YFHOEESVSA-N 0 1 211.305 2.280 20 0 BEADMN C/C(=C/C[N@@H+](C)CCc1cccs1)C(=O)[O-] ZINC000086441108 601177367 /nfs/dbraw/zinc/17/73/67/601177367.db2.gz ZZFWUPCNVSOEBH-YHYXMXQVSA-N 0 1 239.340 2.253 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000399534500 601179953 /nfs/dbraw/zinc/17/99/53/601179953.db2.gz OGWIBJJEOMYPTK-XTDRBSRISA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)C/C=C(/C)C(=O)[O-] ZINC000086437934 601180686 /nfs/dbraw/zinc/18/06/86/601180686.db2.gz IFJHBWSGFQGDKM-PAKSIRSJSA-N 0 1 213.321 2.385 20 0 BEADMN Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000706889891 601339248 /nfs/dbraw/zinc/33/92/48/601339248.db2.gz WMRXWDCVBCUXCY-GXSJLCMTSA-N 0 1 235.283 2.271 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1occc1C(=O)[O-] ZINC000380624122 601449074 /nfs/dbraw/zinc/44/90/74/601449074.db2.gz HHCILFDVODXVTK-DTWKUNHWSA-N 0 1 223.272 2.208 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H]1C ZINC000380602205 601450938 /nfs/dbraw/zinc/45/09/38/601450938.db2.gz XIQFJGFKBUQFAL-HBNTYKKESA-N 0 1 213.321 2.360 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@H]1C ZINC000380634013 601449229 /nfs/dbraw/zinc/44/92/29/601449229.db2.gz LHTQTFBKWJFAHO-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC000380664300 601450915 /nfs/dbraw/zinc/45/09/15/601450915.db2.gz WGMBWHMBCSBFAX-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602630 601576327 /nfs/dbraw/zinc/57/63/27/601576327.db2.gz MUCBENTZGZTPHI-LLVKDONJSA-N 0 1 239.340 2.230 20 0 BEADMN CC[C@H](C)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000251755281 601808597 /nfs/dbraw/zinc/80/85/97/601808597.db2.gz HFSOJSGTFOSBLB-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739346308 601931323 /nfs/dbraw/zinc/93/13/23/601931323.db2.gz CBXQGYSISZGEMP-UHFFFAOYSA-N 0 1 226.320 2.003 20 0 BEADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739056748 601957373 /nfs/dbraw/zinc/95/73/73/601957373.db2.gz FUTMBLHUIAHWRV-NWDGAFQWSA-N 0 1 248.326 2.337 20 0 BEADMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000739585265 601981966 /nfs/dbraw/zinc/98/19/66/601981966.db2.gz OMDYYQPGCYSNFP-CYBMUJFWSA-N 0 1 248.326 2.261 20 0 BEADMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000739585925 602047486 /nfs/dbraw/zinc/04/74/86/602047486.db2.gz RCFRPRKTYRIFLG-LBPRGKRZSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C)C[C@H]1CCC[N@@H+](CCC(=O)[O-])C1 ZINC000236665407 602341673 /nfs/dbraw/zinc/34/16/73/602341673.db2.gz QLUYLRNMBBQQKC-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739302608 602451717 /nfs/dbraw/zinc/45/17/17/602451717.db2.gz RUNLNDCYXZKXSI-VXGBXAGGSA-N 0 1 242.363 2.497 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738889498 602452075 /nfs/dbraw/zinc/45/20/75/602452075.db2.gz IZLXORUZVMNTCD-WDEREUQCSA-N 0 1 240.347 2.107 20 0 BEADMN C[NH+](C)[C@@H](CNC(=O)[O-])c1ccccc1Cl ZINC000739606647 602664070 /nfs/dbraw/zinc/66/40/70/602664070.db2.gz FQSDONULKBHQQF-JTQLQIEISA-N 0 1 242.706 2.210 20 0 BEADMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[O-] ZINC000740155716 602663612 /nfs/dbraw/zinc/66/36/12/602663612.db2.gz ULTCGEQPBXRUJO-WCQYABFASA-N 0 1 246.310 2.281 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739089394 602668641 /nfs/dbraw/zinc/66/86/41/602668641.db2.gz KRCGFIKINQIRIY-OUAUKWLOSA-N 0 1 226.320 2.002 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000740635946 602679201 /nfs/dbraw/zinc/67/92/01/602679201.db2.gz VYIVMSOPZOSAPB-RYUDHWBXSA-N 0 1 238.331 2.075 20 0 BEADMN CCCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739332100 602702023 /nfs/dbraw/zinc/70/20/23/602702023.db2.gz FDWFUOLMIUTKCS-LBPRGKRZSA-N 0 1 242.363 2.498 20 0 BEADMN O=C([O-])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000739936320 602709229 /nfs/dbraw/zinc/70/92/29/602709229.db2.gz KVEVUYYIGGZJOE-GFCCVEGCSA-N 0 1 240.347 2.299 20 0 BEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000738943903 602737210 /nfs/dbraw/zinc/73/72/10/602737210.db2.gz UEVHEZWLHBCOCJ-VIFPVBQESA-N 0 1 216.325 2.011 20 0 BEADMN CC(C)CC[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738819682 602768450 /nfs/dbraw/zinc/76/84/50/602768450.db2.gz WITGDDDIKYEOLI-QWRGUYRKSA-N 0 1 228.336 2.011 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739084046 602800832 /nfs/dbraw/zinc/80/08/32/602800832.db2.gz YCVJMBLSSQWIHQ-WOPDTQHZSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H](c1ccccc1F)[N@H+](C)CCNC(=O)[O-] ZINC000739061720 603083395 /nfs/dbraw/zinc/08/33/95/603083395.db2.gz YHARRSYHPUHWQS-SECBINFHSA-N 0 1 240.278 2.086 20 0 BEADMN C[C@H](c1ccccc1F)[N@@H+](C)CCNC(=O)[O-] ZINC000739061720 603083397 /nfs/dbraw/zinc/08/33/97/603083397.db2.gz YHARRSYHPUHWQS-SECBINFHSA-N 0 1 240.278 2.086 20 0 BEADMN Cc1ccccc1[C@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000740180310 603083966 /nfs/dbraw/zinc/08/39/66/603083966.db2.gz FCHUHFCDOPKBRQ-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H](CNC(=O)[O-])[N@@H+](C)C/C=C\c1ccccc1 ZINC000738937736 603237181 /nfs/dbraw/zinc/23/71/81/603237181.db2.gz FOJPQVSRYAEDKH-OJIASSBASA-N 0 1 248.326 2.288 20 0 BEADMN CCCC[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000739335164 603324703 /nfs/dbraw/zinc/32/47/03/603324703.db2.gz YYJMHRIPDPNYLJ-NSHDSACASA-N 0 1 240.347 2.251 20 0 BEADMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000738939811 603343411 /nfs/dbraw/zinc/34/34/11/603343411.db2.gz GTRCAGHIESONNJ-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CCC1 ZINC000738837408 603349404 /nfs/dbraw/zinc/34/94/04/603349404.db2.gz RJCLYMZYTMRTEC-NSHDSACASA-N 0 1 240.347 2.249 20 0 BEADMN CCCCCC[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000737816904 603408040 /nfs/dbraw/zinc/40/80/40/603408040.db2.gz YHSFUSDDJMBYQZ-NSHDSACASA-N 0 1 228.336 2.299 20 0 BEADMN Cc1cc(C)cc(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740067799 604370433 /nfs/dbraw/zinc/37/04/33/604370433.db2.gz UOOZSINSIOQMML-CYBMUJFWSA-N 0 1 248.326 2.145 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C/C=C\Cl ZINC000227223954 604669982 /nfs/dbraw/zinc/66/99/82/604669982.db2.gz PZBOHUYMSJEYRA-BZQFPTSOSA-N 0 1 243.734 2.457 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000306628355 604769130 /nfs/dbraw/zinc/76/91/30/604769130.db2.gz KEQSUFZCNIJBSG-VIFPVBQESA-N 0 1 211.305 2.138 20 0 BEADMN C/C(=C\C[N@H+](C)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000402615465 605408158 /nfs/dbraw/zinc/40/81/58/605408158.db2.gz WGPLPWRPJANCTH-JATZPVMKSA-N 0 1 223.316 2.305 20 0 BEADMN C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC(=O)[O-] ZINC000309677044 605699426 /nfs/dbraw/zinc/69/94/26/605699426.db2.gz MBYAZCJOTVSNQV-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@@H]1C[C@H](NCc2cocn2)CCS1 ZINC000885998946 984860571 /nfs/dbraw/zinc/86/05/71/984860571.db2.gz NMNCBLUWXAAULX-RKDXNWHRSA-N 0 1 212.318 2.048 20 0 BEADMN CSC(C)(C)C[C@H](C)n1ccnc1CN ZINC001258320516 991244596 /nfs/dbraw/zinc/24/45/96/991244596.db2.gz SQKYYDIMRCECDH-VIFPVBQESA-N 0 1 227.377 2.435 20 0 BEADMN CCCCC[C@H](CC)[NH2+]CC[P@](=O)([O-])O ZINC001258431695 991367666 /nfs/dbraw/zinc/36/76/66/991367666.db2.gz IHENQRPSGOMKOA-JTQLQIEISA-N 0 1 237.280 2.113 20 0 BEADMN Cc1[nH+]c(N(C)[C@H](C)C2CC2)ccc1C(=O)[O-] ZINC000124177704 634396839 /nfs/dbraw/zinc/39/68/39/634396839.db2.gz JEPYOTWGPHACMR-SECBINFHSA-N 0 1 234.299 2.323 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])o1 ZINC000299975498 634404330 /nfs/dbraw/zinc/40/43/30/634404330.db2.gz CFSGUABBXYOBKM-UHTWSYAYSA-N 0 1 249.310 2.273 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000257685086 634462571 /nfs/dbraw/zinc/46/25/71/634462571.db2.gz RGHDVEFAXZSPPA-LLVKDONJSA-N 0 1 244.294 2.074 20 0 BEADMN CCOCCN(C)Cc1ccc(OCC)o1 ZINC000893432106 634463862 /nfs/dbraw/zinc/46/38/62/634463862.db2.gz SFUOPDXPJIQAQL-UHFFFAOYSA-N 0 1 227.304 2.147 20 0 BEADMN Cc1ncccc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000257692772 634467810 /nfs/dbraw/zinc/46/78/10/634467810.db2.gz UUCBRIOPXFKHGT-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@H](CCC1CC1)N[C@@H](C)c1nnnn1C1CC1 ZINC000190681044 634479308 /nfs/dbraw/zinc/47/93/08/634479308.db2.gz UEZKVZAXHLZGAS-ZJUUUORDSA-N 0 1 249.362 2.237 20 0 BEADMN C#CCN(CC#C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000093461477 634546062 /nfs/dbraw/zinc/54/60/62/634546062.db2.gz MKNPQFRKCQDQBL-HZPDHXFCSA-N 0 1 223.319 2.359 20 0 BEADMN CC(C)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000258067497 634559171 /nfs/dbraw/zinc/55/91/71/634559171.db2.gz LSEYHJDIWFNWHV-MRVPVSSYSA-N 0 1 240.328 2.039 20 0 BEADMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CNOC1 ZINC000925863986 635564123 /nfs/dbraw/zinc/56/41/23/635564123.db2.gz CHQRRQUKFKQPDD-WZRBSPASSA-N 0 1 232.327 2.036 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CNOC2)c2sccc21 ZINC000925866955 635568069 /nfs/dbraw/zinc/56/80/69/635568069.db2.gz OHVTYGMTHGDGDZ-YWVKMMECSA-N 0 1 238.356 2.180 20 0 BEADMN CC1(C)CC2(CC(NCc3cocn3)C2)CO1 ZINC000925869412 635579319 /nfs/dbraw/zinc/57/93/19/635579319.db2.gz LACSGUBDPUHUGP-UHFFFAOYSA-N 0 1 236.315 2.112 20 0 BEADMN Cc1nn(C)c(C)c1CNc1nccn1C1CC1 ZINC000235804985 635587882 /nfs/dbraw/zinc/58/78/82/635587882.db2.gz JEDNLPFXMUTLJX-UHFFFAOYSA-N 0 1 245.330 2.180 20 0 BEADMN CO[C@@H]1CN(C/C=C\Cl)CC[C@H]1C ZINC000308253240 631219380 /nfs/dbraw/zinc/21/93/80/631219380.db2.gz GZXSDPWRBDEODT-QBNQYXCASA-N 0 1 203.713 2.096 20 0 BEADMN CCN(C(=O)Cc1cnc[nH]1)c1cccc(C)c1 ZINC000074673747 631236474 /nfs/dbraw/zinc/23/64/74/631236474.db2.gz SLYYXLXQHKMWBF-UHFFFAOYSA-N 0 1 243.310 2.314 20 0 BEADMN COC[C@H](NC/C(Cl)=C\Cl)C1CC1 ZINC000308393545 631309952 /nfs/dbraw/zinc/30/99/52/631309952.db2.gz CETZNXZPOYTUOH-SGDMMICCSA-N 0 1 224.131 2.320 20 0 BEADMN CC1CCN(CN2CCSC2=S)CC1 ZINC000078716238 631348437 /nfs/dbraw/zinc/34/84/37/631348437.db2.gz BAUMDPMJNPDISA-UHFFFAOYSA-N 0 1 230.402 2.010 20 0 BEADMN CCOc1ccc(CN2CCC(OC)CC2)o1 ZINC000891536413 631389021 /nfs/dbraw/zinc/38/90/21/631389021.db2.gz JFJLPJWKINOMOF-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN CC[N@H+](C)Cc1ncc(Br)cc1[O-] ZINC000891571947 631393497 /nfs/dbraw/zinc/39/34/97/631393497.db2.gz JKYAIEREBNQBDX-UHFFFAOYSA-N 0 1 245.120 2.001 20 0 BEADMN CC[N@@H+](C)Cc1ncc(Br)cc1[O-] ZINC000891571947 631393504 /nfs/dbraw/zinc/39/35/04/631393504.db2.gz JKYAIEREBNQBDX-UHFFFAOYSA-N 0 1 245.120 2.001 20 0 BEADMN COC(=O)c1c[nH]c(C[N@@H+](C)C2CC2)c1C1CC1 ZINC000891620051 631412200 /nfs/dbraw/zinc/41/22/00/631412200.db2.gz MXINPNLPTCGURH-UHFFFAOYSA-N 0 1 248.326 2.273 20 0 BEADMN COC(=O)c1c[nH]c(CN(C)C2CC2)c1C1CC1 ZINC000891620051 631412205 /nfs/dbraw/zinc/41/22/05/631412205.db2.gz MXINPNLPTCGURH-UHFFFAOYSA-N 0 1 248.326 2.273 20 0 BEADMN OCCN(Cc1cc(O)cc(Cl)c1)C1CC1 ZINC000891619095 631413625 /nfs/dbraw/zinc/41/36/25/631413625.db2.gz KHCWTQWSZBNXMS-UHFFFAOYSA-N 0 1 241.718 2.002 20 0 BEADMN CO[C@H]1CCCN(Cc2cnc(F)c(C)c2)C1 ZINC000891693250 631450170 /nfs/dbraw/zinc/45/01/70/631450170.db2.gz XOEHMBWKZOIGFJ-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986720 631486187 /nfs/dbraw/zinc/48/61/87/631486187.db2.gz ILULTFBDFLHXPE-NEPJUHHUSA-N 0 1 243.310 2.413 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cccc(F)c1O ZINC000933813916 631513924 /nfs/dbraw/zinc/51/39/24/631513924.db2.gz ABEJXUOQGKPICM-QMMMGPOBSA-N 0 1 223.247 2.156 20 0 BEADMN CC(C)=CCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000926266260 631530205 /nfs/dbraw/zinc/53/02/05/631530205.db2.gz SDRJJUIGUXKVFZ-WDEREUQCSA-N 0 1 220.320 2.230 20 0 BEADMN FC(F)(F)CCc1noc(CNCC2CC2)n1 ZINC000094491976 631577140 /nfs/dbraw/zinc/57/71/40/631577140.db2.gz FRQFZEOSSCKZNF-UHFFFAOYSA-N 0 1 249.236 2.064 20 0 BEADMN CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]1CO ZINC000934025201 631602007 /nfs/dbraw/zinc/60/20/07/631602007.db2.gz ZOCHHFUOIAKGCV-OLZOCXBDSA-N 0 1 223.291 2.343 20 0 BEADMN CCSc1ccccc1CN1CC[C@H]1CO ZINC000934016726 631614958 /nfs/dbraw/zinc/61/49/58/631614958.db2.gz WWDYRIJFXXBBEQ-LBPRGKRZSA-N 0 1 237.368 2.365 20 0 BEADMN Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]1CO ZINC000934020282 631620773 /nfs/dbraw/zinc/62/07/73/631620773.db2.gz ZUXRCWPDPALYNT-SNVBAGLBSA-N 0 1 225.719 2.215 20 0 BEADMN Cc1cccc(Cl)c1CN1CC[C@@H]1CO ZINC000934020282 631620777 /nfs/dbraw/zinc/62/07/77/631620777.db2.gz ZUXRCWPDPALYNT-SNVBAGLBSA-N 0 1 225.719 2.215 20 0 BEADMN COC(OC)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC000234595353 631643417 /nfs/dbraw/zinc/64/34/17/631643417.db2.gz LMGUMVOQTDTYCP-MRVPVSSYSA-N 0 1 245.269 2.062 20 0 BEADMN C[C@H](C[N@@H+](CC(=O)[O-])C1CC1)C(C)(C)C ZINC000308801811 631667064 /nfs/dbraw/zinc/66/70/64/631667064.db2.gz MVWJTHJLMASOGI-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN O[C@@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000308940328 631743934 /nfs/dbraw/zinc/74/39/34/631743934.db2.gz PWZMZLGBDHDBNM-HTQZYQBOSA-N 0 1 246.763 2.190 20 0 BEADMN Cc1c[nH]nc1CN1CCCSC[C@H]1C ZINC000934296673 631760778 /nfs/dbraw/zinc/76/07/78/631760778.db2.gz NHTLJMHKJWNBII-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN COC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000108165119 631779733 /nfs/dbraw/zinc/77/97/33/631779733.db2.gz AGYKUDXKWBTBFN-CYBMUJFWSA-N 0 1 248.326 2.007 20 0 BEADMN COc1ccc([C@H]2CCCN2CCC(C)=O)nc1 ZINC000934340689 631790198 /nfs/dbraw/zinc/79/01/98/631790198.db2.gz SSQLOLXVSYGDES-CQSZACIVSA-N 0 1 248.326 2.206 20 0 BEADMN CCCCOC(=O)CN(C)C[C@H](C)CC ZINC000043447848 631792156 /nfs/dbraw/zinc/79/21/56/631792156.db2.gz AHCSNCAGJRGECJ-LLVKDONJSA-N 0 1 215.337 2.308 20 0 BEADMN Cc1cc(C[N@H+](CC(=O)[O-])C(C)C)cs1 ZINC000309060497 631834699 /nfs/dbraw/zinc/83/46/99/631834699.db2.gz VMNHTIZLTHWXIL-UHFFFAOYSA-N 0 1 227.329 2.352 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CCCC ZINC000158230767 631838987 /nfs/dbraw/zinc/83/89/87/631838987.db2.gz NVDGOVGQKMJWOP-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN CC[C@@H]1CCN(C(=O)c2cccc(F)c2O)C1 ZINC000934459228 631848413 /nfs/dbraw/zinc/84/84/13/631848413.db2.gz DLCXLJRILAVFNT-SECBINFHSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1cnccc1CN1CCOC[C@]1(C)C1CC1 ZINC000934474793 631868847 /nfs/dbraw/zinc/86/88/47/631868847.db2.gz HWRJFGGLAXBAEH-OAHLLOKOSA-N 0 1 246.354 2.391 20 0 BEADMN CC(C)COCCN1CCOC[C@@]1(C)C1CC1 ZINC000934479270 631873299 /nfs/dbraw/zinc/87/32/99/631873299.db2.gz QWGNTRTTXUQSKW-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN CC(C)COCCN1CCOC[C@]1(C)C1CC1 ZINC000934479271 631874338 /nfs/dbraw/zinc/87/43/38/631874338.db2.gz QWGNTRTTXUQSKW-CQSZACIVSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1noc([C@@H](C)NCCCC2CC2)n1 ZINC000309105644 631888557 /nfs/dbraw/zinc/88/85/57/631888557.db2.gz HTVOHQGXWPTYND-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN Cc1sccc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000309118910 631891142 /nfs/dbraw/zinc/89/11/42/631891142.db2.gz SEMBMRRMFLBHIJ-MRVPVSSYSA-N 0 1 227.329 2.209 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CSC[C@@H]2C)on1 ZINC000926406748 631892944 /nfs/dbraw/zinc/89/29/44/631892944.db2.gz LMPDPQUNEQNFTB-CIUDSAMLSA-N 0 1 242.344 2.085 20 0 BEADMN O[C@@H]1CCN(CC/C=C/c2ccccc2)C[C@H]1F ZINC000934565484 631931292 /nfs/dbraw/zinc/93/12/92/631931292.db2.gz LVZGRRXENJBFJI-GMLRFVCHSA-N 0 1 249.329 2.495 20 0 BEADMN O[C@@H]1CCN(CC/C=C/c2ccccc2)C[C@@H]1F ZINC000934565491 631932287 /nfs/dbraw/zinc/93/22/87/631932287.db2.gz LVZGRRXENJBFJI-VSWCJUERSA-N 0 1 249.329 2.495 20 0 BEADMN O[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1F ZINC000934581188 631952722 /nfs/dbraw/zinc/95/27/22/631952722.db2.gz MDQWCIWTVDFDTC-ZIAGYGMSSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@@H]1CCN(CCCc2ccccc2)C[C@H]1F ZINC000934581188 631952730 /nfs/dbraw/zinc/95/27/30/631952730.db2.gz MDQWCIWTVDFDTC-ZIAGYGMSSA-N 0 1 237.318 2.024 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC000924437879 632015546 /nfs/dbraw/zinc/01/55/46/632015546.db2.gz NCKWSDJAMCVOPD-IGJMFERPSA-N 0 1 249.314 2.162 20 0 BEADMN CCCC[N@@H+](C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000218880205 632092739 /nfs/dbraw/zinc/09/27/39/632092739.db2.gz WECPQSRIGSKCLN-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@@H]1COC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC000926467439 632098080 /nfs/dbraw/zinc/09/80/80/632098080.db2.gz RNLOKEWRUIDNMR-ZWNOBZJWSA-N 0 1 232.327 2.407 20 0 BEADMN CS[C@H]1CCC[C@@H](NCc2nonc2C)C1 ZINC000235149152 632104424 /nfs/dbraw/zinc/10/44/24/632104424.db2.gz VJNANYOYAVYAEH-ZJUUUORDSA-N 0 1 241.360 2.142 20 0 BEADMN C[C@H](C1CC1)n1nccc1NCc1cnc[nH]1 ZINC000894218482 635753068 /nfs/dbraw/zinc/75/30/68/635753068.db2.gz CVMJZILZGOUBFH-SECBINFHSA-N 0 1 231.303 2.189 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000051322645 632503665 /nfs/dbraw/zinc/50/36/65/632503665.db2.gz UIFXGPSVGUMQBT-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](N(C)CN1CCSC1=S)C1(C)CC1 ZINC000176829307 632530218 /nfs/dbraw/zinc/53/02/18/632530218.db2.gz MJRJDJYKXUEPEW-VIFPVBQESA-N 0 1 244.429 2.398 20 0 BEADMN O=C(NOC1CCCC1)c1cccc(F)c1O ZINC000935239900 632562697 /nfs/dbraw/zinc/56/26/97/632562697.db2.gz OWOMTZXXSPXZJS-UHFFFAOYSA-N 0 1 239.246 2.135 20 0 BEADMN C[C@]1(C(=O)NOC2CCCC2)C=CCC1 ZINC000935240627 632563440 /nfs/dbraw/zinc/56/34/40/632563440.db2.gz VKLAQEILNFMAGW-LBPRGKRZSA-N 0 1 209.289 2.333 20 0 BEADMN Fc1ccc(CNC2CC(F)(F)C2)cn1 ZINC000308958992 632584172 /nfs/dbraw/zinc/58/41/72/632584172.db2.gz YLDXPBLBWXCTIU-UHFFFAOYSA-N 0 1 216.206 2.108 20 0 BEADMN COC1(OC)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000926587155 632595290 /nfs/dbraw/zinc/59/52/90/632595290.db2.gz IUBBBRJMGGSXFH-MXWKQRLJSA-N 0 1 231.311 2.008 20 0 BEADMN CCc1cc(CNc2ncc(C)s2)n[nH]1 ZINC000309045210 632625606 /nfs/dbraw/zinc/62/56/06/632625606.db2.gz OBQLDZQMHLRIPN-UHFFFAOYSA-N 0 1 222.317 2.349 20 0 BEADMN CSC1(C[N@H+]2CCC[C@@H]2CC(=O)[O-])CCC1 ZINC000309136567 632645604 /nfs/dbraw/zinc/64/56/04/632645604.db2.gz KMMKFHKFVPJYOH-SNVBAGLBSA-N 0 1 243.372 2.211 20 0 BEADMN CCCCOCCCN[C@H](C)c1nonc1C ZINC000924524657 632659338 /nfs/dbraw/zinc/65/93/38/632659338.db2.gz ABOKXJIUWBZIKF-SNVBAGLBSA-N 0 1 241.335 2.235 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)c(F)c2)CCCO1 ZINC000235364244 632678212 /nfs/dbraw/zinc/67/82/12/632678212.db2.gz OIZWVXUFTJPRNY-SNVBAGLBSA-N 0 1 239.290 2.142 20 0 BEADMN CC[S@@](=O)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000309894054 632679928 /nfs/dbraw/zinc/67/99/28/632679928.db2.gz FBHRZRDGFLTTCH-QLJPJBMISA-N 0 1 243.372 2.316 20 0 BEADMN CC(C)n1cc([C@H](C)N[C@@H]2CC23CC3)nn1 ZINC000926614151 632685278 /nfs/dbraw/zinc/68/52/78/632685278.db2.gz HRZYQONSWTYXIZ-GXSJLCMTSA-N 0 1 220.320 2.062 20 0 BEADMN CCN1CCN(C(=O)OC2CCCC2)C[C@@H]1C ZINC000310187697 632706878 /nfs/dbraw/zinc/70/68/78/632706878.db2.gz WSPGNAPGJQFVCB-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN C[C@H]1CN(Cn2cc[nH]c2=S)CC[C@@H]1C ZINC000179736758 632758079 /nfs/dbraw/zinc/75/80/79/632758079.db2.gz QTYPOCQQWPMPPY-UWVGGRQHSA-N 0 1 225.361 2.107 20 0 BEADMN CCn1cc(CN[C@H](C)c2cccnc2)c(C)n1 ZINC000892481289 632768069 /nfs/dbraw/zinc/76/80/69/632768069.db2.gz JSXCRCZXDKYBGO-LLVKDONJSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1ccsc1CN1CCC2(C1)OCCO2 ZINC000093013200 632777041 /nfs/dbraw/zinc/77/70/41/632777041.db2.gz NWIXOMXQOLKFMC-UHFFFAOYSA-N 0 1 239.340 2.005 20 0 BEADMN CCCCCCN[C@@H](C)c1cnn(C)n1 ZINC000924538951 632778990 /nfs/dbraw/zinc/77/89/90/632778990.db2.gz OABZOFRWUMDELG-JTQLQIEISA-N 0 1 210.325 2.046 20 0 BEADMN CCc1cccc(CN[C@H](C)c2cnnn2C)c1 ZINC000926657687 632784103 /nfs/dbraw/zinc/78/41/03/632784103.db2.gz ZOYUHJOPDKHYAR-LLVKDONJSA-N 0 1 244.342 2.228 20 0 BEADMN Cc1nonc1[C@@H](C)NC1CC2(CCC2)C1 ZINC000926664477 632791373 /nfs/dbraw/zinc/79/13/73/632791373.db2.gz ZYZSKIGLFJRDSC-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN Cc1ccc(CNCC[S@](C)=O)c(Cl)c1 ZINC000235755139 632826651 /nfs/dbraw/zinc/82/66/51/632826651.db2.gz QRNRKPBQLABFOJ-HNNXBMFYSA-N 0 1 245.775 2.117 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[NH2+]Cc1ccoc1 ZINC000235829182 632836527 /nfs/dbraw/zinc/83/65/27/632836527.db2.gz WRGQDHPWPXBYHC-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@]1(C)CC1(F)F ZINC000926704486 632844145 /nfs/dbraw/zinc/84/41/45/632844145.db2.gz SNGWKMRWTVBGCQ-XVKPBYJWSA-N 0 1 245.273 2.464 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCCCCO1 ZINC000935593183 632844220 /nfs/dbraw/zinc/84/42/20/632844220.db2.gz MQMVIVXSLFLZQZ-UHFFFAOYSA-N 0 1 239.246 2.089 20 0 BEADMN COc1cc([C@@H](C)NC[C@]2(C)CC2(F)F)on1 ZINC000926706128 632846305 /nfs/dbraw/zinc/84/63/05/632846305.db2.gz RXFLNWOZFOFTOB-XCBNKYQSSA-N 0 1 246.257 2.379 20 0 BEADMN O=C(C=CC1CCCCCC1)Nc1c[nH]nn1 ZINC000935595488 632847260 /nfs/dbraw/zinc/84/72/60/632847260.db2.gz IHOGIBUNMHDCQA-BQYQJAHWSA-N 0 1 234.303 2.270 20 0 BEADMN O=C(Nc1c[nH]nn1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000935597853 632851358 /nfs/dbraw/zinc/85/13/58/632851358.db2.gz OSILAEZBUGRMDM-OUAUKWLOSA-N 0 1 248.330 2.350 20 0 BEADMN Cc1nc2ccc(NC(=O)C(F)F)cc2[nH]1 ZINC000235942150 632855767 /nfs/dbraw/zinc/85/57/67/632855767.db2.gz XQDNVCKEKBVZTL-UHFFFAOYSA-N 0 1 225.198 2.075 20 0 BEADMN COc1cccc(CN[C@H](C)c2ccnnc2)c1 ZINC000924562169 632863561 /nfs/dbraw/zinc/86/35/61/632863561.db2.gz AWYMPJVFEXWBFR-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN Cc1oc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C(=O)[O-] ZINC000092085969 632864583 /nfs/dbraw/zinc/86/45/83/632864583.db2.gz YVVHLBLKGMXQLA-DTORHVGOSA-N 0 1 237.299 2.374 20 0 BEADMN COc1ccc(NC(=O)C2(N(C)C)CCC2)cc1 ZINC000158553951 632939371 /nfs/dbraw/zinc/93/93/71/632939371.db2.gz SNBONZQQPPSFQJ-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN CC[C@@H](NCc1ccoc1)[C@H](O)C(F)(F)F ZINC000309413277 633033379 /nfs/dbraw/zinc/03/33/79/633033379.db2.gz CDLISFMVAONYJF-BDAKNGLRSA-N 0 1 237.221 2.071 20 0 BEADMN CN(CCC1CC1)CN1CCSC1=S ZINC000162878277 633041469 /nfs/dbraw/zinc/04/14/69/633041469.db2.gz RWWIDTVFVODGKG-UHFFFAOYSA-N 0 1 230.402 2.010 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@@H](C)[C@@H]2C)on1 ZINC000925067274 635887336 /nfs/dbraw/zinc/88/73/36/635887336.db2.gz MWIBKXATNKACAN-OUJBWJOFSA-N 0 1 238.331 2.311 20 0 BEADMN C[C@@H](N[C@@H]1CC(C)(C)CC[C@H]1O)c1ncco1 ZINC000926785040 633063408 /nfs/dbraw/zinc/06/34/08/633063408.db2.gz JCYLFXFGROOGSJ-GMTAPVOTSA-N 0 1 238.331 2.265 20 0 BEADMN Clc1ncccc1CNCCOC1CCC1 ZINC000309494041 633179545 /nfs/dbraw/zinc/17/95/45/633179545.db2.gz JOFRSBBBEGTPOZ-UHFFFAOYSA-N 0 1 240.734 2.394 20 0 BEADMN C[C@H](CCCCO)N[C@@H]1CCCC1(F)F ZINC000394424207 633191800 /nfs/dbraw/zinc/19/18/00/633191800.db2.gz TWACIOWBEQNPFY-NXEZZACHSA-N 0 1 221.291 2.315 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CCSCC1 ZINC000307367847 635987812 /nfs/dbraw/zinc/98/78/12/635987812.db2.gz MQEQBEPGOJAUPX-SSDOTTSWSA-N 0 1 226.172 2.229 20 0 BEADMN CSC1(CN2CC(C(F)(F)F)C2)CC1 ZINC000894891597 636000414 /nfs/dbraw/zinc/00/04/14/636000414.db2.gz JZLGBPMRDPBIAE-UHFFFAOYSA-N 0 1 225.279 2.376 20 0 BEADMN CSCC[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000925094641 636001458 /nfs/dbraw/zinc/00/14/58/636001458.db2.gz GGQSPKHBEISQQN-GUBZILKMSA-N 0 1 240.376 2.015 20 0 BEADMN COc1cc([C@@H](C)N[C@H](C)CSC)on1 ZINC000925095068 636001677 /nfs/dbraw/zinc/00/16/77/636001677.db2.gz IMAMUHROSIJXQE-HTQZYQBOSA-N 0 1 230.333 2.085 20 0 BEADMN Cc1[nH]nc(CN2CC(CC(F)F)C2)c1C ZINC000895054879 636027200 /nfs/dbraw/zinc/02/72/00/636027200.db2.gz DDHCQZSYQSSKHL-UHFFFAOYSA-N 0 1 229.274 2.114 20 0 BEADMN CCc1ccccc1CN[C@@H](C)c1cnnn1C ZINC000925114269 636080164 /nfs/dbraw/zinc/08/01/64/636080164.db2.gz MZHYEEKWFUCDEG-NSHDSACASA-N 0 1 244.342 2.228 20 0 BEADMN Cc1cc(C)c(C(=O)NC[C@@H]2CCN2C)c(C)c1 ZINC000928555252 636092876 /nfs/dbraw/zinc/09/28/76/636092876.db2.gz MNCLCWWEMLQLIT-ZDUSSCGKSA-N 0 1 246.354 2.046 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000928556641 636096079 /nfs/dbraw/zinc/09/60/79/636096079.db2.gz UFSGGRTUMLXGAJ-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCC(C)(C)C(=O)NC[C@H]1CCN1C ZINC000928561318 636107324 /nfs/dbraw/zinc/10/73/24/636107324.db2.gz AIJDRTLIGBARTG-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)NC[C@@H]1CCN1C ZINC000928563291 636111873 /nfs/dbraw/zinc/11/18/73/636111873.db2.gz PCNBGISPKMLMCV-YPMHNXCESA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](CC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928572970 636119167 /nfs/dbraw/zinc/11/91/67/636119167.db2.gz MEZCHZMOUMZUIG-OCCSQVGLSA-N 0 1 246.354 2.001 20 0 BEADMN COCC[C@H](NCc1cnc[nH]1)c1ccc(C)o1 ZINC000280300949 633752683 /nfs/dbraw/zinc/75/26/83/633752683.db2.gz VTEMXMDQGABNKE-LBPRGKRZSA-N 0 1 249.314 2.179 20 0 BEADMN COCC[C@@H](NCc1cnc[nH]1)c1ccc(C)o1 ZINC000280300948 633753736 /nfs/dbraw/zinc/75/37/36/633753736.db2.gz VTEMXMDQGABNKE-GFCCVEGCSA-N 0 1 249.314 2.179 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000893121150 633841333 /nfs/dbraw/zinc/84/13/33/633841333.db2.gz NWJNCONUOCBRNR-IINYFYTJSA-N 0 1 246.358 2.384 20 0 BEADMN Fc1ccsc1-c1nc([C@@H]2CCCN2)no1 ZINC000309228529 633870095 /nfs/dbraw/zinc/87/00/95/633870095.db2.gz HYTUAQNXCHPXTG-ZETCQYMHSA-N 0 1 239.275 2.362 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000181464517 633916824 /nfs/dbraw/zinc/91/68/24/633916824.db2.gz ZAMIZZOKHOSNIY-OLZOCXBDSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C)cc(=O)[n-]1 ZINC000309484002 633928195 /nfs/dbraw/zinc/92/81/95/633928195.db2.gz UQWLGCHZLQYZNK-WPRPVWTQSA-N 0 1 223.320 2.015 20 0 BEADMN COC(C)(C)CCN[C@H](C)c1cc(C)on1 ZINC000309546629 633948845 /nfs/dbraw/zinc/94/88/45/633948845.db2.gz GZYFQCKYICKFON-SNVBAGLBSA-N 0 1 226.320 2.449 20 0 BEADMN C[C@H](NC1COC(C)(C)OC1)c1ccoc1 ZINC000309572909 633957813 /nfs/dbraw/zinc/95/78/13/633957813.db2.gz OCKLFVKWPNUDOA-VIFPVBQESA-N 0 1 225.288 2.082 20 0 BEADMN COC1(C[C@@H](C)NCc2ccon2)CCC1 ZINC000309953375 633976823 /nfs/dbraw/zinc/97/68/23/633976823.db2.gz HCVRBHWJOREVGI-SNVBAGLBSA-N 0 1 224.304 2.112 20 0 BEADMN FC[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000895567778 636158514 /nfs/dbraw/zinc/15/85/14/636158514.db2.gz KPOQCIQGTOMRMN-SECBINFHSA-N 0 1 224.279 2.343 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1CC(=O)OCC(C)C ZINC000185633186 634055481 /nfs/dbraw/zinc/05/54/81/634055481.db2.gz ONNOCWMGELJFHA-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H]1CN(CCOC2CC2)C[C@H](CC)O1 ZINC000930750128 634086877 /nfs/dbraw/zinc/08/68/77/634086877.db2.gz SLMVEBSZPVDSTJ-TXEJJXNPSA-N 0 1 227.348 2.055 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@H]1C1CCC1 ZINC000930818947 634115796 /nfs/dbraw/zinc/11/57/96/634115796.db2.gz BBICUMAJEFABGY-CYIWUNGXSA-N 0 1 239.359 2.080 20 0 BEADMN COC/C(C)=C/CN1C[C@H](C)OC2(CCC2)C1 ZINC000930828473 634128403 /nfs/dbraw/zinc/12/84/03/634128403.db2.gz YOBGQVFKLJAMBF-YFTXEMMHSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cc(C)nc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000930862833 634143022 /nfs/dbraw/zinc/14/30/22/634143022.db2.gz FFTKTIQASCIAJY-TXEJJXNPSA-N 0 1 238.281 2.395 20 0 BEADMN CCN(Cc1ccc(F)nc1)C[C@H]1CCCO1 ZINC000189306497 634177938 /nfs/dbraw/zinc/17/79/38/634177938.db2.gz WPLHJEROQXZDMQ-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCCCCCN[C@H](C)c1nnnn1C1CC1 ZINC000191485008 634213264 /nfs/dbraw/zinc/21/32/64/634213264.db2.gz FFYCWVHTIAOORN-SNVBAGLBSA-N 0 1 237.351 2.239 20 0 BEADMN CC[C@@](C)(C[N@H+]1CCCCC[C@H]1C(=O)[O-])OC ZINC000319418758 634270229 /nfs/dbraw/zinc/27/02/29/634270229.db2.gz IAXQWGVGUIFDFI-AAEUAGOBSA-N 0 1 243.347 2.131 20 0 BEADMN CCC[C@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000193979440 634302098 /nfs/dbraw/zinc/30/20/98/634302098.db2.gz PUHTVPSSLQGWOX-STQMWFEESA-N 0 1 225.332 2.180 20 0 BEADMN C=Cn1cc(CNCc2ccc(Cl)nc2)cn1 ZINC000194234870 634309725 /nfs/dbraw/zinc/30/97/25/634309725.db2.gz YYZRSOPPGFFLFY-UHFFFAOYSA-N 0 1 248.717 2.322 20 0 BEADMN O=C(OC[C@H]1CCCN1Cc1ccco1)C1CC1 ZINC000162853607 635143797 /nfs/dbraw/zinc/14/37/97/635143797.db2.gz SEPIBMJPPRUYLH-GFCCVEGCSA-N 0 1 249.310 2.197 20 0 BEADMN Cc1cc(CN[C@@H]2CCOC3(CCC3)C2)no1 ZINC000094371008 635316475 /nfs/dbraw/zinc/31/64/75/635316475.db2.gz ZMEJGSUTNOHXJT-LLVKDONJSA-N 0 1 236.315 2.174 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000054053175 635338660 /nfs/dbraw/zinc/33/86/60/635338660.db2.gz HWIOITQHJCYXQL-SECBINFHSA-N 0 1 217.272 2.325 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(F)cc(F)c2)no1 ZINC000054053295 635338963 /nfs/dbraw/zinc/33/89/63/635338963.db2.gz STEDDEAXGFOOIN-LURJTMIESA-N 0 1 239.225 2.295 20 0 BEADMN CC(C)[C@H]1C[C@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925862616 635561877 /nfs/dbraw/zinc/56/18/77/635561877.db2.gz WAQHHRICFYRDIK-DFBGVHRSSA-N 0 1 246.354 2.364 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000235669338 635584247 /nfs/dbraw/zinc/58/42/47/635584247.db2.gz GPBDHFQWQYLMHT-JTQLQIEISA-N 0 1 234.299 2.012 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCCCC1CC1 ZINC000896453157 636194007 /nfs/dbraw/zinc/19/40/07/636194007.db2.gz BPECXHVQUZMQCA-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nnc(C)o1 ZINC000842152083 636250619 /nfs/dbraw/zinc/25/06/19/636250619.db2.gz DSGVQIIDRBHYEH-SFGNSQDASA-N 0 1 209.293 2.075 20 0 BEADMN C[C@H]1CCCC[C@@]1(C)NC(=O)c1[nH]ncc1F ZINC000909566667 636255323 /nfs/dbraw/zinc/25/53/23/636255323.db2.gz JOKOEEYQMQXKGO-QPUJVOFHSA-N 0 1 239.294 2.247 20 0 BEADMN COC[C@@H](N[C@@H](C)c1cc(OC)no1)C(C)C ZINC000925139980 636269998 /nfs/dbraw/zinc/26/99/98/636269998.db2.gz NTWMDGSDMFIWKJ-VHSXEESVSA-N 0 1 242.319 2.005 20 0 BEADMN CCCCCCNC(=O)c1[nH]nc2c1CCC2 ZINC000127286651 636329296 /nfs/dbraw/zinc/32/92/96/636329296.db2.gz IPMFZMWTOZQLCK-UHFFFAOYSA-N 0 1 235.331 2.209 20 0 BEADMN CSC(C)(C)CN[C@H]1C[C@@H](C)n2ncnc21 ZINC000925193151 636370621 /nfs/dbraw/zinc/37/06/21/636370621.db2.gz ZXERFDYPNZWAOT-BDAKNGLRSA-N 0 1 240.376 2.015 20 0 BEADMN COC[C@@H](NC1CC(SC)C1)c1ccco1 ZINC000925205139 636382668 /nfs/dbraw/zinc/38/26/68/636382668.db2.gz NWGDHUIKXBDEBH-VQXHTEKXSA-N 0 1 241.356 2.451 20 0 BEADMN C[C@H](NC1CCC(C)(O)CC1)c1ncco1 ZINC000925224371 636417743 /nfs/dbraw/zinc/41/77/43/636417743.db2.gz ZSTAKBVOOKPSTF-BMQDGWLCSA-N 0 1 224.304 2.019 20 0 BEADMN Cc1[nH+]c(N(C)C2CCC2)ccc1C(=O)[O-] ZINC000127479198 636576281 /nfs/dbraw/zinc/57/62/81/636576281.db2.gz ULSMPLFCZJVTKL-UHFFFAOYSA-N 0 1 220.272 2.077 20 0 BEADMN CC[C@@H](C(=O)OCC(C)(F)F)N(CC)CC ZINC000861223006 636592107 /nfs/dbraw/zinc/59/21/07/636592107.db2.gz IULBIBTUKYZRHN-VIFPVBQESA-N 0 1 237.290 2.305 20 0 BEADMN CSC[C@H](C)NCc1c(Cl)c(C)nn1C ZINC000127582855 636644583 /nfs/dbraw/zinc/64/45/83/636644583.db2.gz FXZSGFJWGOBENS-ZETCQYMHSA-N 0 1 247.795 2.223 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccoc1C ZINC000321474565 636646051 /nfs/dbraw/zinc/64/60/51/636646051.db2.gz HYKUHUJILPOTME-SECBINFHSA-N 0 1 225.288 2.273 20 0 BEADMN Cc1occc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000321472620 636646066 /nfs/dbraw/zinc/64/60/66/636646066.db2.gz HSXPRTRJVMORRV-UHFFFAOYSA-N 0 1 225.288 2.131 20 0 BEADMN CCC[C@H](O)CCCSCc1n[nH]c(C)n1 ZINC000865379464 636815402 /nfs/dbraw/zinc/81/54/02/636815402.db2.gz SSQPGBTXUYQSNT-JTQLQIEISA-N 0 1 243.376 2.288 20 0 BEADMN CCC(CC)CNC1(c2nc(C)no2)CC1 ZINC000897898090 636844507 /nfs/dbraw/zinc/84/45/07/636844507.db2.gz YJEAPUHBTYGZMB-UHFFFAOYSA-N 0 1 223.320 2.393 20 0 BEADMN CC(C)[C@@H](N)c1noc(Cc2cccs2)n1 ZINC000041052650 636956790 /nfs/dbraw/zinc/95/67/90/636956790.db2.gz XNSUWQMLTVKXMZ-SNVBAGLBSA-N 0 1 237.328 2.378 20 0 BEADMN CC(C)[C@H](N)c1noc(CC2CCCC2)n1 ZINC000041052671 636956938 /nfs/dbraw/zinc/95/69/38/636956938.db2.gz QTTFFIGVWFYIEF-NSHDSACASA-N 0 1 223.320 2.458 20 0 BEADMN CC(C)[C@H](N)c1noc(Cc2ccsc2)n1 ZINC000041052625 636959313 /nfs/dbraw/zinc/95/93/13/636959313.db2.gz RSUFWSJCNMODCC-JTQLQIEISA-N 0 1 237.328 2.378 20 0 BEADMN Cc1ccc(CCN[C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000924653544 636975530 /nfs/dbraw/zinc/97/55/30/636975530.db2.gz ABEQGQZHBBMONA-BXKDBHETSA-N 0 1 246.314 2.018 20 0 BEADMN C[C@@H](NC[C@@]1(C)CCCCO1)c1nccn1C ZINC000927018222 636992198 /nfs/dbraw/zinc/99/21/98/636992198.db2.gz LDRGIDONRFUATK-DGCLKSJQSA-N 0 1 237.347 2.030 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OCC1CC=CC1 ZINC000923891431 637004946 /nfs/dbraw/zinc/00/49/46/637004946.db2.gz MDRQDAHGOREDEF-ZDUSSCGKSA-N 0 1 237.343 2.369 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CCC2)nc(C)n1 ZINC000041574218 637009908 /nfs/dbraw/zinc/00/99/08/637009908.db2.gz PMKMZVLUBQADHZ-NSHDSACASA-N 0 1 229.283 2.070 20 0 BEADMN CC(C)N1CCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000923896474 637022094 /nfs/dbraw/zinc/02/20/94/637022094.db2.gz LYSSHIJFYIULAO-SECBINFHSA-N 0 1 247.302 2.005 20 0 BEADMN CC[C@@H](C)CCNC(=O)c1cncc2nc[nH]c21 ZINC000898661930 637052683 /nfs/dbraw/zinc/05/26/83/637052683.db2.gz KZVKPFKABBGLNT-SECBINFHSA-N 0 1 246.314 2.124 20 0 BEADMN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1ccn(C)n1 ZINC000927157360 637068259 /nfs/dbraw/zinc/06/82/59/637068259.db2.gz DOGWTLPMFDXMNC-YPMHNXCESA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](n1[nH]c(CC2CC2)cc1=O)C(F)(F)F ZINC000899355920 637083306 /nfs/dbraw/zinc/08/33/06/637083306.db2.gz FGDIABZEXUEAKC-LURJTMIESA-N 0 1 234.221 2.326 20 0 BEADMN CCCCCCSc1nc(N)cc(N)n1 ZINC000034570178 637086971 /nfs/dbraw/zinc/08/69/71/637086971.db2.gz CXOJZPHLYSSEKO-UHFFFAOYSA-N 0 1 226.349 2.313 20 0 BEADMN c1c([C@@H]2CCCCN2)nnn1CC1CCCC1 ZINC000899707114 637128592 /nfs/dbraw/zinc/12/85/92/637128592.db2.gz VVWJHYWRTMZJKD-LBPRGKRZSA-N 0 1 234.347 2.283 20 0 BEADMN c1n[nH]nc1SC[C@H]1CCCC2(CCC2)O1 ZINC000901507245 637257427 /nfs/dbraw/zinc/25/74/27/637257427.db2.gz DPZNPTVKVWXVIF-SECBINFHSA-N 0 1 239.344 2.389 20 0 BEADMN c1n[nH]nc1SC[C@@H]1CCCC2(CCC2)O1 ZINC000901507247 637258207 /nfs/dbraw/zinc/25/82/07/637258207.db2.gz DPZNPTVKVWXVIF-VIFPVBQESA-N 0 1 239.344 2.389 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CC1(F)CC1 ZINC000901591369 637263974 /nfs/dbraw/zinc/26/39/74/637263974.db2.gz WPRIYWJYTKCXDV-UHFFFAOYSA-N 0 1 237.274 2.319 20 0 BEADMN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1nccs1 ZINC000903437891 637362031 /nfs/dbraw/zinc/36/20/31/637362031.db2.gz RBCGSWFMAJUUMW-LSJOCFKGSA-N 0 1 238.356 2.219 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000903599041 637373603 /nfs/dbraw/zinc/37/36/03/637373603.db2.gz ZEFHYTKDFJNWCV-GARJFASQSA-N 0 1 215.337 2.464 20 0 BEADMN Cc1n[nH]c(C(=O)NCC[C@@H]2C[C@H]2C2CC2)c1C ZINC000927414281 637396683 /nfs/dbraw/zinc/39/66/83/637396683.db2.gz JGYNYEGIJYMHOC-NEPJUHHUSA-N 0 1 247.342 2.193 20 0 BEADMN CC(C)(C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000904891633 637515061 /nfs/dbraw/zinc/51/50/61/637515061.db2.gz SNVZXWFXJJKVIS-UHFFFAOYSA-N 0 1 245.282 2.427 20 0 BEADMN Cc1csc2ncnc(NC[C@@H]3CCN3C)c12 ZINC000905015389 637547553 /nfs/dbraw/zinc/54/75/53/637547553.db2.gz UMVJKBATFJGEKU-VIFPVBQESA-N 0 1 248.355 2.116 20 0 BEADMN CCC(CC)(CC)[S@@](=O)Cc1c[nH]nn1 ZINC000905167612 637679490 /nfs/dbraw/zinc/67/94/90/637679490.db2.gz LIMTXLGNAGSTST-HNNXBMFYSA-N 0 1 229.349 2.022 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C1CC2(C1)CCCC2 ZINC000905713696 637893459 /nfs/dbraw/zinc/89/34/59/637893459.db2.gz OEXGDYAHDUXBRE-LLVKDONJSA-N 0 1 223.316 2.258 20 0 BEADMN Cc1oc(C[NH2+]C/C=C/Cl)cc1C(=O)[O-] ZINC000905810228 637937255 /nfs/dbraw/zinc/93/72/55/637937255.db2.gz IZKJQUNYQRACEZ-NSCUHMNNSA-N 0 1 229.663 2.128 20 0 BEADMN CC[C@](O)(CNCc1ccco1)C(F)(F)F ZINC000905867291 637951763 /nfs/dbraw/zinc/95/17/63/637951763.db2.gz BOTSVWUWCLHVLG-VIFPVBQESA-N 0 1 237.221 2.073 20 0 BEADMN C[C@H]1CCN1C[C@@H](O)c1cccc(Cl)c1 ZINC000905973452 637988419 /nfs/dbraw/zinc/98/84/19/637988419.db2.gz JEIIVOLPTYKJRW-JOYOIKCWSA-N 0 1 225.719 2.468 20 0 BEADMN c1cc(-c2cnc([C@H]3CCCCN3)nc2)ccn1 ZINC000906155310 638064160 /nfs/dbraw/zinc/06/41/60/638064160.db2.gz FNJWQRXOKYQPCC-CYBMUJFWSA-N 0 1 240.310 2.353 20 0 BEADMN CNCc1ncc(-c2csc(C)c2)cn1 ZINC000906160090 638068938 /nfs/dbraw/zinc/06/89/38/638068938.db2.gz WTHUCELTHHSNSC-UHFFFAOYSA-N 0 1 219.313 2.233 20 0 BEADMN C[C@@H](C1CC1)N(Cc1cn(C2CC2)nn1)C1CC1 ZINC000906254047 638119684 /nfs/dbraw/zinc/11/96/84/638119684.db2.gz KHMKMFGKQKRUFN-JTQLQIEISA-N 0 1 246.358 2.376 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cn(C2CC2)nn1 ZINC000906272545 638123881 /nfs/dbraw/zinc/12/38/81/638123881.db2.gz GGCURBJDYKOXQY-ZYHUDNBSSA-N 0 1 234.347 2.233 20 0 BEADMN CN(Cc1cn(C2CC2)nn1)C[C@@H]1CC=CCC1 ZINC000906283309 638125816 /nfs/dbraw/zinc/12/58/16/638125816.db2.gz MWEPMIGUAGAWAI-GFCCVEGCSA-N 0 1 246.358 2.401 20 0 BEADMN CC(C)[C@@H]1CCCN1Cc1cn(C2CC2)nn1 ZINC000906258952 638127708 /nfs/dbraw/zinc/12/77/08/638127708.db2.gz RULZDAXLXQYOAO-ZDUSSCGKSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1CCCCN(Cc2cn(C3CC3)nn2)C1 ZINC000906297521 638136260 /nfs/dbraw/zinc/13/62/60/638136260.db2.gz VJWPZVWTHJTMNH-NSHDSACASA-N 0 1 234.347 2.235 20 0 BEADMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906303293 638139642 /nfs/dbraw/zinc/13/96/42/638139642.db2.gz ULBKZNRVJCDVQT-IJLUTSLNSA-N 0 1 248.374 2.479 20 0 BEADMN O=C(Cc1c[nH]cn1)N1CCCC2(CCCC2)C1 ZINC000907612249 638431281 /nfs/dbraw/zinc/43/12/81/638431281.db2.gz BSFCGKOSXRGART-UHFFFAOYSA-N 0 1 247.342 2.135 20 0 BEADMN C[C@@H](CC1CCCCC1)NC(=O)Cc1cnc[nH]1 ZINC000907796126 638474168 /nfs/dbraw/zinc/47/41/68/638474168.db2.gz AVNIKYQCLBZLOV-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)Cc2cnc[nH]2)[C@@H]1C ZINC000907924207 638514388 /nfs/dbraw/zinc/51/43/88/638514388.db2.gz IFQZJLKBUGDAFS-IJLUTSLNSA-N 0 1 249.358 2.141 20 0 BEADMN CCC(=O)c1ccc(O)c(NC(=O)CCF)c1 ZINC000908320795 638643059 /nfs/dbraw/zinc/64/30/59/638643059.db2.gz KNVMYWZAXHGZDL-UHFFFAOYSA-N 0 1 239.246 2.283 20 0 BEADMN CC(C)CCN(C)Cn1cc(Cl)cn1 ZINC000126952707 711458561 /nfs/dbraw/zinc/45/85/61/711458561.db2.gz PSPCRSNZUXMCSE-UHFFFAOYSA-N 0 1 215.728 2.472 20 0 BEADMN CSCCC[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711674383 711465197 /nfs/dbraw/zinc/46/51/97/711465197.db2.gz LOYOCBSVDISQRB-CMPLNLGQSA-N 0 1 243.372 2.069 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)[C@H]1C(C)C ZINC000909052758 639132198 /nfs/dbraw/zinc/13/21/98/639132198.db2.gz SMKCWSGDAHODBE-JSGCOSHPSA-N 0 1 249.358 2.091 20 0 BEADMN CC[C@@H](NC(=O)Cc1cnc[nH]1)C1CCCC1 ZINC000909279832 639194389 /nfs/dbraw/zinc/19/43/89/639194389.db2.gz MGARFJKCPCSTDM-GFCCVEGCSA-N 0 1 235.331 2.037 20 0 BEADMN CC[C@H](NC(=O)c1[nH]ncc1F)C1CCCC1 ZINC000909281536 639195493 /nfs/dbraw/zinc/19/54/93/639195493.db2.gz YMVOZOMVMSHKJU-JTQLQIEISA-N 0 1 239.294 2.247 20 0 BEADMN CC=C(C=CC(=O)NC(C)(C)c1c[nH]nn1)CC ZINC000909722269 639211718 /nfs/dbraw/zinc/21/17/18/639211718.db2.gz UBFXZYUPKVZMLI-LZIZUESTSA-N 0 1 248.330 2.069 20 0 BEADMN C[C@H]1CCC[C@H](C)N(Cn2ccsc2=O)C1 ZINC000746613207 639236520 /nfs/dbraw/zinc/23/65/20/639236520.db2.gz CXSRTVOUWKVMGO-QWRGUYRKSA-N 0 1 240.372 2.378 20 0 BEADMN CCC[C@H](NC(=O)Cc1cnc[nH]1)C1CCCC1 ZINC000909928837 639277639 /nfs/dbraw/zinc/27/76/39/639277639.db2.gz IZTPGFHDSILGDV-ZDUSSCGKSA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cccc(N[C@@H]2CCC[C@]2(C)C(=O)[O-])[nH+]1 ZINC000910439994 639450235 /nfs/dbraw/zinc/45/02/35/639450235.db2.gz DURNWZBFGWOMHY-MFKMUULPSA-N 0 1 234.299 2.445 20 0 BEADMN CN(c1cc[nH+]cc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000910474628 639464394 /nfs/dbraw/zinc/46/43/94/639464394.db2.gz DCDCTWYQBRKFDQ-OCAPTIKFSA-N 0 1 240.690 2.034 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)C(C)(C)C ZINC000911591642 639677942 /nfs/dbraw/zinc/67/79/42/639677942.db2.gz TXFOSOAHGGRKCN-BXKDBHETSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1ccncc1CN(C)CCOC1CC1 ZINC000930290281 639680754 /nfs/dbraw/zinc/68/07/54/639680754.db2.gz AELIZMZAOWRKTA-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CO[C@]1(C)CCCN([C@@H](C)c2ncccn2)CC1 ZINC000930290219 639681490 /nfs/dbraw/zinc/68/14/90/639681490.db2.gz YLIRDYYRERMEFA-GXTWGEPZSA-N 0 1 249.358 2.429 20 0 BEADMN FC1(F)CCN(CCc2ccns2)CC1 ZINC000930292923 639683770 /nfs/dbraw/zinc/68/37/70/639683770.db2.gz LEEXLHATUPMZNX-UHFFFAOYSA-N 0 1 232.299 2.417 20 0 BEADMN CN(CCCO)Cc1cnc(-c2ccccc2)o1 ZINC000930327748 639708761 /nfs/dbraw/zinc/70/87/61/639708761.db2.gz VOKRVZQGDDFRNE-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN CC[C@@H]1C[C@H]1CN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000930455676 639758012 /nfs/dbraw/zinc/75/80/12/639758012.db2.gz RAMROFLGJXDNBW-IPNGBCKKSA-N 0 1 243.416 2.264 20 0 BEADMN CC[C@@H]1CN(CC2CC(C)C2)C[C@H](C)[S@]1=O ZINC000930457759 639763113 /nfs/dbraw/zinc/76/31/13/639763113.db2.gz GMOGFSVTEHVZMA-NLVCPXBFSA-N 0 1 243.416 2.264 20 0 BEADMN COC(=O)/C=C(\C)CN1CCC(F)(F)[C@H](C)C1 ZINC000930512023 639790991 /nfs/dbraw/zinc/79/09/91/639790991.db2.gz AXIDYVLUKSRMDH-OLKPEBQYSA-N 0 1 247.285 2.083 20 0 BEADMN COC/C(C)=C/CN1CCC[C@](C)(F)C1 ZINC000930596575 639816185 /nfs/dbraw/zinc/81/61/85/639816185.db2.gz WEHPPWAEAOTWEX-JVOXIWMLSA-N 0 1 215.312 2.403 20 0 BEADMN COC/C(C)=C/CN(C)Cc1ccc(C)cn1 ZINC000930615190 639822638 /nfs/dbraw/zinc/82/26/38/639822638.db2.gz TVRUUIJYYGEHMJ-NTUHNPAUSA-N 0 1 234.343 2.415 20 0 BEADMN C[C@@H](N[C@H]1CCC1(C)C)c1ncccn1 ZINC000930632172 639834344 /nfs/dbraw/zinc/83/43/44/639834344.db2.gz XOOUXGJCFOLDCL-ZJUUUORDSA-N 0 1 205.305 2.316 20 0 BEADMN CCc1onc(C)c1CN1C[C@@H]2C[C@H]1CS2 ZINC000930705496 639866559 /nfs/dbraw/zinc/86/65/59/639866559.db2.gz KCVVMMJWHOVORP-UWVGGRQHSA-N 0 1 238.356 2.235 20 0 BEADMN CCc1[nH]ncc1C(=O)N(C)c1ccsc1 ZINC000912007832 639915090 /nfs/dbraw/zinc/91/50/90/639915090.db2.gz PVOQQLTXYNEUPQ-UHFFFAOYSA-N 0 1 235.312 2.310 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)c1ccsc1 ZINC000912003727 639919874 /nfs/dbraw/zinc/91/98/74/639919874.db2.gz NQAHYZXUAYCBFW-VIFPVBQESA-N 0 1 249.339 2.313 20 0 BEADMN C/C=C(\C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912032994 639923908 /nfs/dbraw/zinc/92/39/08/639923908.db2.gz MJJPSRDCAQQZJV-YTRUQHMWSA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC1(C)CC=CC1 ZINC000912045881 639934316 /nfs/dbraw/zinc/93/43/16/639934316.db2.gz GEJAOCGLIQBXPD-NSHDSACASA-N 0 1 236.359 2.084 20 0 BEADMN CC(=O)NCCCCC[N@H+]1CCC=C(Cl)C1 ZINC000930837233 639935208 /nfs/dbraw/zinc/93/52/08/639935208.db2.gz CQEHKKQOGIPUKQ-UHFFFAOYSA-N 0 1 244.766 2.121 20 0 BEADMN CC(=O)NCCCCCN1CCC=C(Cl)C1 ZINC000930837233 639935214 /nfs/dbraw/zinc/93/52/14/639935214.db2.gz CQEHKKQOGIPUKQ-UHFFFAOYSA-N 0 1 244.766 2.121 20 0 BEADMN Cc1cn(C)nc1CN1CCC12CCCC2 ZINC000930845595 639942238 /nfs/dbraw/zinc/94/22/38/639942238.db2.gz OZVWLTVOWXZTPD-UHFFFAOYSA-N 0 1 219.332 2.247 20 0 BEADMN C(NC1(C2CCC2)CC1)c1noc2c1COCC2 ZINC000930855085 639950696 /nfs/dbraw/zinc/95/06/96/639950696.db2.gz BEFSOHLGPCPYSY-UHFFFAOYSA-N 0 1 248.326 2.170 20 0 BEADMN CCN(Cc1cc(C)nnc1C)[C@@H]1CCCOC1 ZINC000930853377 639951124 /nfs/dbraw/zinc/95/11/24/639951124.db2.gz TVUWNFZAEFNDOW-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1noc([C@@H](C)N(C)CC2CC(C)C2)n1 ZINC000930889766 639974277 /nfs/dbraw/zinc/97/42/77/639974277.db2.gz YZRREXLHRGTMOR-INWMGODYSA-N 0 1 223.320 2.417 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nncs1 ZINC000930931314 639993071 /nfs/dbraw/zinc/99/30/71/639993071.db2.gz URPKVLYAOOXVBM-MRVPVSSYSA-N 0 1 213.350 2.452 20 0 BEADMN CN(Cc1cn(C)nn1)C[C@@H]1CC2CCC1CC2 ZINC000931015957 640020878 /nfs/dbraw/zinc/02/08/78/640020878.db2.gz LIUHPPCIYCFXHP-BPCQOVAHSA-N 0 1 248.374 2.073 20 0 BEADMN CO[C@H]1CN(C[C@@H]2CC3CCC2CC3)CCO1 ZINC000931035401 640029478 /nfs/dbraw/zinc/02/94/78/640029478.db2.gz MGLATHWERPQEAO-CLRIEMFWSA-N 0 1 239.359 2.117 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@H]2C[C@H]2C1 ZINC000931057539 640045027 /nfs/dbraw/zinc/04/50/27/640045027.db2.gz FHDHANLFXCVRJU-GUBZILKMSA-N 0 1 223.345 2.249 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC2CC1(C)C2 ZINC000931080700 640060513 /nfs/dbraw/zinc/06/05/13/640060513.db2.gz UGMLTFRTSZOAKI-SILCLGDVSA-N 0 1 223.345 2.392 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCO[C@@](C)(C(F)F)C1 ZINC000931081194 640062163 /nfs/dbraw/zinc/06/21/63/640062163.db2.gz XBSQCKFJRBXYEN-JFGNBEQYSA-N 0 1 233.302 2.389 20 0 BEADMN C[C@H](C1CC1)N1CCO[C@@](C)(C(F)F)C1 ZINC000931079610 640062415 /nfs/dbraw/zinc/06/24/15/640062415.db2.gz MDLJTCDXKRKISS-LDYMZIIASA-N 0 1 219.275 2.141 20 0 BEADMN Cc1cn(C)nc1CN(C)C[C@@H]1CC1(C)C ZINC000931082276 640065161 /nfs/dbraw/zinc/06/51/61/640065161.db2.gz PNDIDBCPMBIJQY-NSHDSACASA-N 0 1 221.348 2.206 20 0 BEADMN CCC1(CC)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000912506383 640101370 /nfs/dbraw/zinc/10/13/70/640101370.db2.gz KTCYOMGNFXTBOI-UHFFFAOYSA-N 0 1 249.358 2.381 20 0 BEADMN CSc1n[nH]c(NC(=O)CCC2(C)CC2)n1 ZINC000931203897 640102751 /nfs/dbraw/zinc/10/27/51/640102751.db2.gz VIAPVRBWVQEASX-UHFFFAOYSA-N 0 1 240.332 2.045 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC000311129972 640121466 /nfs/dbraw/zinc/12/14/66/640121466.db2.gz QQGDHMSOJIFQOV-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN FC(F)OCCN1CCC(c2ncco2)CC1 ZINC000931442301 640205687 /nfs/dbraw/zinc/20/56/87/640205687.db2.gz BQWVDCQSTRCPLP-UHFFFAOYSA-N 0 1 246.257 2.093 20 0 BEADMN C[C@@H]1CN(CCc2ccns2)Cc2c[nH]nc21 ZINC000931467549 640227227 /nfs/dbraw/zinc/22/72/27/640227227.db2.gz PMJHCBOZFBDBHL-SECBINFHSA-N 0 1 248.355 2.028 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912900383 640230839 /nfs/dbraw/zinc/23/08/39/640230839.db2.gz JMLAOMHDZIMEPV-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CCC(C)(F)CC1 ZINC000931503766 640236751 /nfs/dbraw/zinc/23/67/51/640236751.db2.gz JWSVJJKSVZRNEV-WDEREUQCSA-N 0 1 245.338 2.398 20 0 BEADMN Cc1nc(C)c(CN2CCC(C)(F)CC2)[nH]1 ZINC000931504189 640236982 /nfs/dbraw/zinc/23/69/82/640236982.db2.gz MTINEUBZDXRATF-UHFFFAOYSA-N 0 1 225.311 2.351 20 0 BEADMN C[C@@]1(C(=O)N2CC[C@H](N3CCC3)C2)CC=CCC1 ZINC000912904986 640250197 /nfs/dbraw/zinc/25/01/97/640250197.db2.gz XELQVULTMDSTLD-DZGCQCFKSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@H](C(C)(C)O)C1 ZINC000931613281 640286607 /nfs/dbraw/zinc/28/66/07/640286607.db2.gz XIIODEPJHKEDJC-NEPJUHHUSA-N 0 1 249.358 2.021 20 0 BEADMN CC[C@H](C)[C@H](C(=O)OC)N1CCC(F)CC1 ZINC000931686944 640316744 /nfs/dbraw/zinc/31/67/44/640316744.db2.gz RMRPTEUVEOIQBG-GXSJLCMTSA-N 0 1 231.311 2.008 20 0 BEADMN CCCCc1nc(CN[C@@H](CC)CO)cs1 ZINC000931765078 640356661 /nfs/dbraw/zinc/35/66/61/640356661.db2.gz AXTBIKWLGVPSRA-JTQLQIEISA-N 0 1 242.388 2.346 20 0 BEADMN Cc1nnc(NC(=O)C2(C)C(C)(C)C2(C)C)[nH]1 ZINC000931906194 640387502 /nfs/dbraw/zinc/38/75/02/640387502.db2.gz UCPGQKBKFMLFOF-UHFFFAOYSA-N 0 1 236.319 2.124 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)c2ccccc2C)[nH]1 ZINC000931906604 640387577 /nfs/dbraw/zinc/38/75/77/640387577.db2.gz VWJCZZKPPASZAN-SECBINFHSA-N 0 1 244.298 2.164 20 0 BEADMN c1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)n[nH]1 ZINC000931927147 640391625 /nfs/dbraw/zinc/39/16/25/640391625.db2.gz QHBJNVHKEVUGDC-HIFRSBDPSA-N 0 1 239.322 2.183 20 0 BEADMN CCOc1ccc(NCc2cnc[nH]2)cc1OC ZINC000054764661 640405290 /nfs/dbraw/zinc/40/52/90/640405290.db2.gz SVZVYGOMVOXEJV-UHFFFAOYSA-N 0 1 247.298 2.429 20 0 BEADMN CCOc1cccc(CNCc2c[nH]cn2)c1 ZINC000054764998 640408749 /nfs/dbraw/zinc/40/87/49/640408749.db2.gz YEQBJLUNYOLXTL-UHFFFAOYSA-N 0 1 231.299 2.098 20 0 BEADMN Cc1nonc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000932123422 640430665 /nfs/dbraw/zinc/43/06/65/640430665.db2.gz DBTYOCNBRYTDGM-NXEZZACHSA-N 0 1 223.320 2.246 20 0 BEADMN CCCN(C)Cn1ncc(Cl)c1C ZINC000156569231 640468239 /nfs/dbraw/zinc/46/82/39/640468239.db2.gz UAFGSPYXDDBQKS-UHFFFAOYSA-N 0 1 201.701 2.144 20 0 BEADMN C[C@@H]1CCN(Cc2ccccc2F)CCO1 ZINC000932344624 640488045 /nfs/dbraw/zinc/48/80/45/640488045.db2.gz LZCOXHMRZBQAFH-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1CC[C@H](CN[C@@H](c2ncccn2)C2CC2)O1 ZINC000932352076 640494244 /nfs/dbraw/zinc/49/42/44/640494244.db2.gz FGNQFLRLQMBJHI-RAIGVLPGSA-N 0 1 247.342 2.085 20 0 BEADMN COC(C)(C)CCN[C@@H](c1ncccn1)C1CC1 ZINC000932355671 640495545 /nfs/dbraw/zinc/49/55/45/640495545.db2.gz WZQBGDJTXQGDJU-GFCCVEGCSA-N 0 1 249.358 2.332 20 0 BEADMN C[C@@](N)(C(=O)NCCC1CCC1)c1ccccc1 ZINC000156726501 640498281 /nfs/dbraw/zinc/49/82/81/640498281.db2.gz NEJVXHGYLGDBEB-HNNXBMFYSA-N 0 1 246.354 2.167 20 0 BEADMN CCSCCN[C@H](c1ncccn1)C1CC1 ZINC000932358423 640499880 /nfs/dbraw/zinc/49/98/80/640499880.db2.gz YQYUFLZSSSWAIB-NSHDSACASA-N 0 1 237.372 2.270 20 0 BEADMN CCCc1nc(CN[C@H]2COC[C@@H]2C)cs1 ZINC000932503482 640560316 /nfs/dbraw/zinc/56/03/16/640560316.db2.gz YKSVEUWOCKKDML-ONGXEEELSA-N 0 1 240.372 2.220 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)c2ccccc2)C1 ZINC001030062218 640561566 /nfs/dbraw/zinc/56/15/66/640561566.db2.gz YTWFLKYSLAILOF-LBPRGKRZSA-N 0 1 246.354 2.147 20 0 BEADMN CCO[C@H](CN1CCn2cccc2C1)C1CC1 ZINC000932527144 640566884 /nfs/dbraw/zinc/56/68/84/640566884.db2.gz XTSLIOGQOXVICF-CQSZACIVSA-N 0 1 234.343 2.119 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CCn2cccc2C1 ZINC000932531941 640573511 /nfs/dbraw/zinc/57/35/11/640573511.db2.gz WOQAMKNFUMWPKJ-VIFPVBQESA-N 0 1 245.153 2.498 20 0 BEADMN CCCN1CCn2nc(C(F)(F)F)cc2C1 ZINC000932593438 640579247 /nfs/dbraw/zinc/57/92/47/640579247.db2.gz UKSMNOVDERCZLK-UHFFFAOYSA-N 0 1 233.237 2.128 20 0 BEADMN CCc1cc(CNC(=O)CCC2(C)CC2)n[nH]1 ZINC000932629409 640590705 /nfs/dbraw/zinc/59/07/05/640590705.db2.gz CRVPECBKKNWXFI-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000933166100 640672261 /nfs/dbraw/zinc/67/22/61/640672261.db2.gz LNJJLBIQMQOGKK-OKWIKPQFSA-N 0 1 249.354 2.060 20 0 BEADMN CC(C)(C)OCCN1CCOC[C@@H]1CC1CC1 ZINC000933212237 640680125 /nfs/dbraw/zinc/68/01/25/640680125.db2.gz YUVVABWFOHIFRW-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1C ZINC000933223571 640684392 /nfs/dbraw/zinc/68/43/92/640684392.db2.gz VKCUIMHOTQEMEK-CQSZACIVSA-N 0 1 246.354 2.096 20 0 BEADMN CCCCOC(=O)CCN(C)Cc1ccco1 ZINC000046437755 640765828 /nfs/dbraw/zinc/76/58/28/640765828.db2.gz XLVFCLCIKMTWSD-UHFFFAOYSA-N 0 1 239.315 2.445 20 0 BEADMN c1cnn(CCN(Cc2ccoc2)C2CC2)c1 ZINC000934005617 640806098 /nfs/dbraw/zinc/80/60/98/640806098.db2.gz RHARRKIFNGBOBW-UHFFFAOYSA-N 0 1 231.299 2.141 20 0 BEADMN C[C@](CO)(NCc1ccoc1)c1ccccc1 ZINC000227212023 640821091 /nfs/dbraw/zinc/82/10/91/640821091.db2.gz TUIBXJOJSLELSQ-CQSZACIVSA-N 0 1 231.295 2.277 20 0 BEADMN CCn1ccnc1NCc1ccc(CO)cc1 ZINC000227491213 640836443 /nfs/dbraw/zinc/83/64/43/640836443.db2.gz IWVNUTMVUKJKDZ-UHFFFAOYSA-N 0 1 231.299 2.007 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccs2)[C@@H](C(=O)[O-])C1 ZINC000229307489 640945919 /nfs/dbraw/zinc/94/59/19/640945919.db2.gz WMMJAPCYSNLRDG-GXSJLCMTSA-N 0 1 239.340 2.433 20 0 BEADMN Cc1[nH+]c(N2C[C@H](C)C[C@H]2C)ccc1C(=O)[O-] ZINC000229306765 640946885 /nfs/dbraw/zinc/94/68/85/640946885.db2.gz QAKGYSIIAIFUNZ-RKDXNWHRSA-N 0 1 234.299 2.323 20 0 BEADMN CC(C)(C)C1CCN(CN2CCCC2=O)CC1 ZINC000172013573 641027381 /nfs/dbraw/zinc/02/73/81/641027381.db2.gz YDDJXHNBEYPGOV-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CCCCOC(=O)CN(CC)CC1CCC1 ZINC000230322764 641047648 /nfs/dbraw/zinc/04/76/48/641047648.db2.gz HKJKKVXLECATTH-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN C[C@@H](Nc1nc(Cl)cs1)c1nnc[nH]1 ZINC000230430094 641055131 /nfs/dbraw/zinc/05/51/31/641055131.db2.gz SUBASQRKFIMTIQ-SCSAIBSYSA-N 0 1 229.696 2.088 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(Cl)cn1 ZINC000934105073 641067551 /nfs/dbraw/zinc/06/75/51/641067551.db2.gz BGMYLULKCCAKLB-RYUDHWBXSA-N 0 1 240.734 2.344 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1scnc1C ZINC000934111164 641073300 /nfs/dbraw/zinc/07/33/00/641073300.db2.gz LTJDFRSCODOFSD-VHSXEESVSA-N 0 1 226.345 2.061 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cccc(C(C)=O)c1 ZINC000934113259 641076646 /nfs/dbraw/zinc/07/66/46/641076646.db2.gz ZCCDLBQTAQQOOC-GJZGRUSLSA-N 0 1 247.338 2.498 20 0 BEADMN CO[C@@H]1CC[C@H]1N(C)Cc1cccc(C(C)=O)c1 ZINC000934113260 641077408 /nfs/dbraw/zinc/07/74/08/641077408.db2.gz ZCCDLBQTAQQOOC-HUUCEWRRSA-N 0 1 247.338 2.498 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1nc2ccccc2o1 ZINC000934124250 641087013 /nfs/dbraw/zinc/08/70/13/641087013.db2.gz BETBWQROCBUSSX-YPMHNXCESA-N 0 1 246.310 2.437 20 0 BEADMN Cc1[nH+]c(N2CCC=C(C)C2)ccc1C(=O)[O-] ZINC000230813350 641097957 /nfs/dbraw/zinc/09/79/57/641097957.db2.gz QAJMIQYPBUKQGV-UHFFFAOYSA-N 0 1 232.283 2.245 20 0 BEADMN CCCCC1(NCc2cnn(CC)n2)CC1 ZINC000934200942 641098732 /nfs/dbraw/zinc/09/87/32/641098732.db2.gz PEZASVPWLIZSCZ-UHFFFAOYSA-N 0 1 222.336 2.110 20 0 BEADMN CCCCC1(N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000934205116 641100589 /nfs/dbraw/zinc/10/05/89/641100589.db2.gz JMIVYKYCESHECZ-SNVBAGLBSA-N 0 1 249.362 2.381 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C1CCCC1 ZINC000172740070 641106430 /nfs/dbraw/zinc/10/64/30/641106430.db2.gz YMLNJASFZHPWHF-JTQLQIEISA-N 0 1 213.321 2.203 20 0 BEADMN C[C@@]1(C(=O)Nc2ccc3[nH]nnc3c2)C=CCC1 ZINC000934234201 641111947 /nfs/dbraw/zinc/11/19/47/641111947.db2.gz NKHQDJUBWCIWJW-CYBMUJFWSA-N 0 1 242.282 2.253 20 0 BEADMN CCc1nnc(SCCCCCCCO)[nH]1 ZINC000172914549 641125580 /nfs/dbraw/zinc/12/55/80/641125580.db2.gz RZDOXXGWXUFSAD-UHFFFAOYSA-N 0 1 243.376 2.402 20 0 BEADMN CCc1n[nH]c(SCCCCCCCO)n1 ZINC000172914549 641125582 /nfs/dbraw/zinc/12/55/82/641125582.db2.gz RZDOXXGWXUFSAD-UHFFFAOYSA-N 0 1 243.376 2.402 20 0 BEADMN Cc1ccncc1-c1nc([C@H](N)C(C)C)no1 ZINC000076024017 641149487 /nfs/dbraw/zinc/14/94/87/641149487.db2.gz BLXHWJNSBNEAOR-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN CC[C@@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000231284387 641154747 /nfs/dbraw/zinc/15/47/47/641154747.db2.gz KWOLXYNGPHJWMM-SECBINFHSA-N 0 1 225.723 2.362 20 0 BEADMN CC(C)(C)C1CCN(Cc2cnc(N)cn2)CC1 ZINC000231296025 641157730 /nfs/dbraw/zinc/15/77/30/641157730.db2.gz VUOKGUMSZMMUNZ-UHFFFAOYSA-N 0 1 248.374 2.317 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2CCC(C)CC2)C1 ZINC000173290039 641162830 /nfs/dbraw/zinc/16/28/30/641162830.db2.gz IXLBVFVFWODSTB-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000932973134 641169173 /nfs/dbraw/zinc/16/91/73/641169173.db2.gz SWXIOAKSWOWLBO-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN CCO[C@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000932975058 641172578 /nfs/dbraw/zinc/17/25/78/641172578.db2.gz WMJFOKUUTVQVCM-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1cccc(C)c1CN1CC[C@H](O)[C@@H](F)C1 ZINC000934573360 641205111 /nfs/dbraw/zinc/20/51/11/641205111.db2.gz FERLRYMUVJPWHH-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN O[C@@H]1CCN(CCCC2CCCC2)C[C@H]1F ZINC000934575114 641205246 /nfs/dbraw/zinc/20/52/46/641205246.db2.gz IJIQDDYCVJGJRO-CHWSQXEVSA-N 0 1 229.339 2.362 20 0 BEADMN Cc1cccc([C@H](C)N2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934573468 641206016 /nfs/dbraw/zinc/20/60/16/641206016.db2.gz GLZUXDDAAKLXLN-FPMFFAJLSA-N 0 1 237.318 2.461 20 0 BEADMN O[C@@H]1CCN([C@@H]2CCCc3ccccc32)C[C@H]1F ZINC000934576942 641207174 /nfs/dbraw/zinc/20/71/74/641207174.db2.gz SWQFEWBCSAFWRU-RBSFLKMASA-N 0 1 249.329 2.469 20 0 BEADMN O[C@H]1CCN(CCCC2CCCC2)C[C@@H]1F ZINC000934575117 641207273 /nfs/dbraw/zinc/20/72/73/641207273.db2.gz IJIQDDYCVJGJRO-STQMWFEESA-N 0 1 229.339 2.362 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NCc1nc(CC2CC2)no1 ZINC000934616935 641214471 /nfs/dbraw/zinc/21/44/71/641214471.db2.gz CJBQOHSPIOROHJ-ZYHUDNBSSA-N 0 1 247.342 2.466 20 0 BEADMN Cc1cnc(CN[C@@H]2CC=CC[C@H]2C)o1 ZINC000934618544 641216300 /nfs/dbraw/zinc/21/63/00/641216300.db2.gz BHQWVLLVKDMGFO-MWLCHTKSSA-N 0 1 206.289 2.427 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CC=CC[C@H]2C)o1 ZINC000934627225 641223289 /nfs/dbraw/zinc/22/32/89/641223289.db2.gz OEXHLJHEFWKTNI-WCABBAIRSA-N 0 1 221.304 2.383 20 0 BEADMN CCCN(C)CN1C[C@@H](CC(C)C)CC1=O ZINC000174074515 641237946 /nfs/dbraw/zinc/23/79/46/641237946.db2.gz LPZLHXSJEAXTSS-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)[C@@]2(C)C=CCC2)n[nH]1 ZINC000934925131 641302699 /nfs/dbraw/zinc/30/26/99/641302699.db2.gz PJWGRTPCAGJZTA-HZMBPMFUSA-N 0 1 247.342 2.122 20 0 BEADMN C[C@H](O)c1ncc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000827507042 641365778 /nfs/dbraw/zinc/36/57/78/641365778.db2.gz RTVRAAJWHUTZLW-IVZWLZJFSA-N 0 1 238.356 2.038 20 0 BEADMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000232703760 641367970 /nfs/dbraw/zinc/36/79/70/641367970.db2.gz YIECZWISYVRAJE-JTQLQIEISA-N 0 1 236.315 2.256 20 0 BEADMN CN(Cc1ccon1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929696031 641401928 /nfs/dbraw/zinc/40/19/28/641401928.db2.gz JPNZAVHGTGGNTH-GUDFOSOFSA-N 0 1 242.269 2.398 20 0 BEADMN CCC(CC)[C@H](C)C(=O)NC12CCN(CC1)C2 ZINC000913631952 641429052 /nfs/dbraw/zinc/42/90/52/641429052.db2.gz KINBKSVDNNFFLS-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(F)c1O ZINC000935701712 641462989 /nfs/dbraw/zinc/46/29/89/641462989.db2.gz GVXWBOJBSJHAEB-AKZRSSKFSA-N 0 1 235.258 2.060 20 0 BEADMN O=C(c1cccc(F)c1O)N1CC(C2CC2)C1 ZINC000936068620 641529698 /nfs/dbraw/zinc/52/96/98/641529698.db2.gz OZBOVEHDIMMSKM-UHFFFAOYSA-N 0 1 235.258 2.013 20 0 BEADMN CC(C)[C@H](N)c1noc(COc2ccccc2)n1 ZINC000041123842 641542732 /nfs/dbraw/zinc/54/27/32/641542732.db2.gz IBLLFFMBOSHMJY-LBPRGKRZSA-N 0 1 247.298 2.304 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000723126399 711506496 /nfs/dbraw/zinc/50/64/96/711506496.db2.gz OBZBEJWALYNCMY-USZNOCQGSA-N 0 1 225.332 2.218 20 0 BEADMN CCCCOC(=O)CN(CC)C(C)C ZINC000042252910 641549820 /nfs/dbraw/zinc/54/98/20/641549820.db2.gz VPIOYKQJFDWELE-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN CCNCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000044299201 641595376 /nfs/dbraw/zinc/59/53/76/641595376.db2.gz CLTHUSQORIKNTB-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044502510 641605673 /nfs/dbraw/zinc/60/56/73/641605673.db2.gz SLCNTRYVPDYXRG-ZYHUDNBSSA-N 0 1 248.282 2.243 20 0 BEADMN CN(C)C1(C(=O)Nc2ccc(F)cc2)CCC1 ZINC000158630285 641643217 /nfs/dbraw/zinc/64/32/17/641643217.db2.gz IYGHKEDUYSNEPH-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN Oc1c(Cl)cccc1CNCC(F)F ZINC000159154076 641668036 /nfs/dbraw/zinc/66/80/36/641668036.db2.gz XLNZWAKUQWEXPT-UHFFFAOYSA-N 0 1 221.634 2.400 20 0 BEADMN Nc1ccncc1C(=O)N1CCC2(CCCC2)C1 ZINC000187744752 641721294 /nfs/dbraw/zinc/72/12/94/641721294.db2.gz OHPXGZMGCRIDBA-UHFFFAOYSA-N 0 1 245.326 2.070 20 0 BEADMN CC[C@H](CO)N1CCO[C@](C)(c2ccccc2)C1 ZINC000929834953 641730334 /nfs/dbraw/zinc/73/03/34/641730334.db2.gz QRSWHKYBQNMJOT-CABCVRRESA-N 0 1 249.354 2.005 20 0 BEADMN C/C=C\C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000914530050 641732060 /nfs/dbraw/zinc/73/20/60/641732060.db2.gz HIQZSONFWWZTRD-WYGGZMRJSA-N 0 1 238.356 2.043 20 0 BEADMN CCCCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000188288264 641752305 /nfs/dbraw/zinc/75/23/05/641752305.db2.gz UOBMTXOVNNVICN-UHFFFAOYSA-N 0 1 249.358 2.137 20 0 BEADMN OCc1cccc(CNCc2ccc(F)nc2)c1 ZINC000189067651 641785150 /nfs/dbraw/zinc/78/51/50/641785150.db2.gz RKRHSLXULXDPNC-UHFFFAOYSA-N 0 1 246.285 2.003 20 0 BEADMN C[C@H]1CCC[C@H](C)C1NC(=O)CN1CCCC1 ZINC000915216379 641810029 /nfs/dbraw/zinc/81/00/29/641810029.db2.gz HOHMPWUEVIGAJS-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc([C@H](C)NC(=O)CN2CCCC2)cc1 ZINC000915216634 641810454 /nfs/dbraw/zinc/81/04/54/641810454.db2.gz JMOSXQHJRDWJBE-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(C)c(C)c1 ZINC000915876766 641872752 /nfs/dbraw/zinc/87/27/52/641872752.db2.gz ORHAMLSHKWBESE-LLVKDONJSA-N 0 1 234.324 2.270 20 0 BEADMN CC(C)(C)CCN1CC(NC(=O)C(C)(C)C)C1 ZINC001031293305 641874331 /nfs/dbraw/zinc/87/43/31/641874331.db2.gz VRFFPWKYZDJKTG-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1ccc(C)cc1C ZINC000915913988 641886388 /nfs/dbraw/zinc/88/63/88/641886388.db2.gz VSLVQKHJLDBRBW-NSHDSACASA-N 0 1 234.324 2.270 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153780387 641887380 /nfs/dbraw/zinc/88/73/80/641887380.db2.gz YPPWWRSOEWIVRH-FFXRNRBCSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc(C(C#N)C(=O)C2CC=CC2)nc(C)n1 ZINC000077940901 641892292 /nfs/dbraw/zinc/89/22/92/641892292.db2.gz WGGXTEKFGLUZOS-GFCCVEGCSA-N 0 1 241.294 2.236 20 0 BEADMN Cc1cc(O)ccc1NC(=O)C1(N(C)C)CCC1 ZINC000154036955 641943114 /nfs/dbraw/zinc/94/31/14/641943114.db2.gz JGGVSJPPKTWNJS-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN C[C@H]1CCC[N@@H+](CN2CCSC2=S)C1 ZINC000078784353 641954798 /nfs/dbraw/zinc/95/47/98/641954798.db2.gz YNXYGYWQHGYCPQ-VIFPVBQESA-N 0 1 230.402 2.010 20 0 BEADMN C[C@H]1CCCN(CN2CCSC2=S)C1 ZINC000078784353 641954801 /nfs/dbraw/zinc/95/48/01/641954801.db2.gz YNXYGYWQHGYCPQ-VIFPVBQESA-N 0 1 230.402 2.010 20 0 BEADMN c1cnc(CN2CCC3(CCCC3)C2)nc1 ZINC000192048437 641959107 /nfs/dbraw/zinc/95/91/07/641959107.db2.gz QCSXIZLDHANDSX-UHFFFAOYSA-N 0 1 217.316 2.243 20 0 BEADMN Cc1cn[nH]c1CSc1ncc(C)cn1 ZINC000916711005 641968629 /nfs/dbraw/zinc/96/86/29/641968629.db2.gz XBKROAIUCHLTQL-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1ccc(C)c(C)c1 ZINC000917209398 642029077 /nfs/dbraw/zinc/02/90/77/642029077.db2.gz FPCZFTUUJIFKLQ-LBPRGKRZSA-N 0 1 248.351 2.411 20 0 BEADMN O=C1CC(c2ccccc2)=NN1C1CCC1 ZINC000917345922 642044767 /nfs/dbraw/zinc/04/47/67/642044767.db2.gz QLGSTWPNJMULBZ-UHFFFAOYSA-N 0 1 214.268 2.176 20 0 BEADMN CCC[C@H](CC)Sc1c(C)[nH][nH]c1=O ZINC000917611246 642098246 /nfs/dbraw/zinc/09/82/46/642098246.db2.gz IKQIHNGWFUNNJJ-DTWKUNHWSA-N 0 1 214.334 2.173 20 0 BEADMN CC(C)N1CCN(C(=O)C=C2CCCC2)CC1 ZINC000917652547 642107612 /nfs/dbraw/zinc/10/76/12/642107612.db2.gz LJSFZNJMHKIEIO-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1cn[nH]c1CSc1nc(C)c(C)[nH]1 ZINC000917766005 642118356 /nfs/dbraw/zinc/11/83/56/642118356.db2.gz YNNGTDMLVQRSJG-UHFFFAOYSA-N 0 1 222.317 2.350 20 0 BEADMN Cc1[nH][nH]c(=O)c1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000918101638 642168882 /nfs/dbraw/zinc/16/88/82/642168882.db2.gz SJDIPZSZLGREDO-CHWFTXMASA-N 0 1 238.356 2.030 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCC(C)(C)C(C)C ZINC000919277096 642321961 /nfs/dbraw/zinc/32/19/61/642321961.db2.gz KVUJADQEFRFMDP-VIFPVBQESA-N 0 1 228.361 2.276 20 0 BEADMN CC[C@@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000033754752 642346016 /nfs/dbraw/zinc/34/60/16/642346016.db2.gz SCTUPWANDJUCMC-CQSZACIVSA-N 0 1 246.354 2.350 20 0 BEADMN CCN1[C@H](C)CN(C(=O)OC2CCC2)C[C@@H]1C ZINC000919590820 642363321 /nfs/dbraw/zinc/36/33/21/642363321.db2.gz LLWLFMBMTPTGPH-PHIMTYICSA-N 0 1 240.347 2.090 20 0 BEADMN CC(C)=CCN1CC(CNC(=O)C2=CCCC2)C1 ZINC001031608349 642370744 /nfs/dbraw/zinc/37/07/44/642370744.db2.gz ZLUNSVVHTSFHPX-UHFFFAOYSA-N 0 1 248.370 2.111 20 0 BEADMN CCn1cnc2c1CCN(CC1(C)CCC1)C2 ZINC000933254281 642426386 /nfs/dbraw/zinc/42/63/86/642426386.db2.gz PSIFLJPUVBUNJW-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN Cc1nonc1CNCC(C)(C)c1ccccc1 ZINC000070261701 642427242 /nfs/dbraw/zinc/42/72/42/642427242.db2.gz PTPDPJYSVXVKJL-UHFFFAOYSA-N 0 1 245.326 2.445 20 0 BEADMN C[C@@H](n1[nH]c2c(c1=O)CCC2)C(C)(C)C ZINC000400357115 642481663 /nfs/dbraw/zinc/48/16/63/642481663.db2.gz WEZKZXTYUFSCFL-RKDXNWHRSA-N 0 1 208.305 2.419 20 0 BEADMN CCCc1ccc(CN(CC)CC(=O)NC)cc1 ZINC000920780948 642545109 /nfs/dbraw/zinc/54/51/09/642545109.db2.gz FSMSRQZAGLWURC-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000068063463 642735834 /nfs/dbraw/zinc/73/58/34/642735834.db2.gz NFTUBXBSAZVTFM-UHFFFAOYSA-N 0 1 244.298 2.036 20 0 BEADMN CC(Cl)(Cl)C(=O)C(C#N)c1ccccn1 ZINC000179848768 642748856 /nfs/dbraw/zinc/74/88/56/642748856.db2.gz OGDYBPMKXLIWEA-ZETCQYMHSA-N 0 1 243.093 2.452 20 0 BEADMN CCN(C)Cc1cc(F)c(OC)cc1OC ZINC000651611691 642768818 /nfs/dbraw/zinc/76/88/18/642768818.db2.gz HMGSVNAIBYWQFC-UHFFFAOYSA-N 0 1 227.279 2.295 20 0 BEADMN COc1ccc(C=NNc2ccccn2)cc1O ZINC000013142369 642835646 /nfs/dbraw/zinc/83/56/46/642835646.db2.gz OHDMWGYJDZWMQY-UHFFFAOYSA-N 0 1 243.266 2.242 20 0 BEADMN CC(C)=CCN1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001009926583 642847243 /nfs/dbraw/zinc/84/72/43/642847243.db2.gz MZWLBUXRXBYUBE-GFCCVEGCSA-N 0 1 248.326 2.050 20 0 BEADMN CC(C)COC(=O)CN(C)CC1CCCC1 ZINC000181440374 642872056 /nfs/dbraw/zinc/87/20/56/642872056.db2.gz BKIJYUGJGXYOPW-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1nonc1CN[C@@H](C)Cc1ccsc1 ZINC000069795007 642908065 /nfs/dbraw/zinc/90/80/65/642908065.db2.gz XJWZXWYJINDFKO-QMMMGPOBSA-N 0 1 237.328 2.160 20 0 BEADMN c1cc(-c2noc([C@@H]3CCCCN3)n2)co1 ZINC000069946016 642941704 /nfs/dbraw/zinc/94/17/04/642941704.db2.gz REUQKLQMLCRHMS-VIFPVBQESA-N 0 1 219.244 2.144 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000070130886 642974819 /nfs/dbraw/zinc/97/48/19/642974819.db2.gz IJIZJLWOJDXTDZ-VIFPVBQESA-N 0 1 217.272 2.407 20 0 BEADMN Cc1ccc([C@@H](O)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000278886092 643032362 /nfs/dbraw/zinc/03/23/62/643032362.db2.gz HHQBXZZSMOCMJX-AAEUAGOBSA-N 0 1 245.326 2.102 20 0 BEADMN Cc1ccc([C@H](O)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000278886094 643033655 /nfs/dbraw/zinc/03/36/55/643033655.db2.gz HHQBXZZSMOCMJX-DGCLKSJQSA-N 0 1 245.326 2.102 20 0 BEADMN CC(C)COC(=O)CN(C(C)C)C(C)C ZINC000183016662 643079051 /nfs/dbraw/zinc/07/90/51/643079051.db2.gz KRRPCHUJMZEWPM-UHFFFAOYSA-N 0 1 215.337 2.304 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(C(=O)[O-])s1 ZINC000071026304 643093021 /nfs/dbraw/zinc/09/30/21/643093021.db2.gz DUJUEXMZVXMKKO-UHFFFAOYSA-N 0 1 213.302 2.287 20 0 BEADMN C[C@H](NC[C@@H](O)C1CC1)c1c(F)cccc1F ZINC000071298881 643124780 /nfs/dbraw/zinc/12/47/80/643124780.db2.gz RYYXTPPJJAOGPR-QPUJVOFHSA-N 0 1 241.281 2.386 20 0 BEADMN C[C@H](NC[C@H](O)C1CC1)c1c(F)cccc1F ZINC000071298877 643126345 /nfs/dbraw/zinc/12/63/45/643126345.db2.gz RYYXTPPJJAOGPR-UFBFGSQYSA-N 0 1 241.281 2.386 20 0 BEADMN Cc1ccc(CN2CCO[C@@H](C)CC2)nc1 ZINC000932339762 643145219 /nfs/dbraw/zinc/14/52/19/643145219.db2.gz AUFIVMIPIJVKRH-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1cccc(CN2CCO[C@@H](C)CC2)n1 ZINC000932343806 643153698 /nfs/dbraw/zinc/15/36/98/643153698.db2.gz SWIIZUCPAHWZOQ-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CC[C@H](C)[C@H](NC[Si](C)(C)C)C(=O)OC ZINC000183698580 643158045 /nfs/dbraw/zinc/15/80/45/643158045.db2.gz HABOFOSOBXWURQ-UWVGGRQHSA-N 0 1 231.412 2.041 20 0 BEADMN Fc1ccccc1OCCCNCc1ncc[nH]1 ZINC000067693052 643184515 /nfs/dbraw/zinc/18/45/15/643184515.db2.gz RFBUZOTYZIHCDJ-UHFFFAOYSA-N 0 1 249.289 2.108 20 0 BEADMN CC(=C(O)NC1=NCCS1)c1ccsc1 ZINC000078024702 643270066 /nfs/dbraw/zinc/27/00/66/643270066.db2.gz IDOVJGJBMJOBBD-SSDOTTSWSA-N 0 1 240.353 2.071 20 0 BEADMN CCN(CCC(N)=O)Cc1ccsc1Cl ZINC000932479523 643305188 /nfs/dbraw/zinc/30/51/88/643305188.db2.gz CJXCSSNVLGMUJB-UHFFFAOYSA-N 0 1 246.763 2.099 20 0 BEADMN O=C1CCC(CN2CCn3cccc3C2)CC1 ZINC000932524676 643347776 /nfs/dbraw/zinc/34/77/76/643347776.db2.gz NURPQHNDGWNDRA-UHFFFAOYSA-N 0 1 232.327 2.063 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CCc1cccs1 ZINC000082602637 643352616 /nfs/dbraw/zinc/35/26/16/643352616.db2.gz ICDNTMLQYOZFHO-UHFFFAOYSA-N 0 1 241.356 2.476 20 0 BEADMN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000804812317 643373011 /nfs/dbraw/zinc/37/30/11/643373011.db2.gz MIVJYAFFPQQDPY-FUOZMLNRSA-N 0 1 236.319 2.037 20 0 BEADMN c1ncc(-c2noc([C@@H]3CCCCN3)n2)s1 ZINC000083126683 643415791 /nfs/dbraw/zinc/41/57/91/643415791.db2.gz UCHIJJGJGMHNNI-ZETCQYMHSA-N 0 1 236.300 2.008 20 0 BEADMN CC/C=C\CN[C@H]1CCCn2ccnc21 ZINC000655773101 643426829 /nfs/dbraw/zinc/42/68/29/643426829.db2.gz QCCLVJANVVMGNH-BYCRGOAPSA-N 0 1 205.305 2.274 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC000083414040 643448304 /nfs/dbraw/zinc/44/83/04/643448304.db2.gz FTHCJCKRXUWRLQ-JTQLQIEISA-N 0 1 239.340 2.496 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)OCc1c[nH]nn1 ZINC000734460869 643498126 /nfs/dbraw/zinc/49/81/26/643498126.db2.gz LBUROOXQURURGJ-VIFPVBQESA-N 0 1 237.303 2.064 20 0 BEADMN Clc1cccc(CN2C[C@@H]3C[C@@H]3C2)n1 ZINC000307569109 643516605 /nfs/dbraw/zinc/51/66/05/643516605.db2.gz VLKJOQWQKZDPFS-DTORHVGOSA-N 0 1 208.692 2.187 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000082725431 643520674 /nfs/dbraw/zinc/52/06/74/643520674.db2.gz WZJUMRQRRGAFIJ-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000735483787 643544165 /nfs/dbraw/zinc/54/41/65/643544165.db2.gz BDAJZYZLKFNMRG-GFCCVEGCSA-N 0 1 242.326 2.244 20 0 BEADMN COC(=O)C[C@@H]1CCCCN1C/C=C/Cl ZINC000050052704 643581644 /nfs/dbraw/zinc/58/16/44/643581644.db2.gz YLWCBZNSYURSED-RWCYGVJQSA-N 0 1 231.723 2.157 20 0 BEADMN CN(C/C=C/Cl)C[C@@H]1CCCCO1 ZINC000050075150 643588902 /nfs/dbraw/zinc/58/89/02/643588902.db2.gz FZWRXAOTVHWKDI-RWCYGVJQSA-N 0 1 203.713 2.240 20 0 BEADMN CC[N@@H+](CCC(C)(C)C(=O)[O-])CC1CC1 ZINC000083638600 643601712 /nfs/dbraw/zinc/60/17/12/643601712.db2.gz GTCRFZJXPOBSQI-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@H](C)C1 ZINC000050126853 643605338 /nfs/dbraw/zinc/60/53/38/643605338.db2.gz ZKBVHCJLPINDAN-JTQLQIEISA-N 0 1 249.310 2.235 20 0 BEADMN Cc1cccc(CN2CC(O)(C(C)C)C2)c1 ZINC000084376871 643659748 /nfs/dbraw/zinc/65/97/48/643659748.db2.gz BEGXZKNGIQGFCP-UHFFFAOYSA-N 0 1 219.328 2.198 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000085161429 643689605 /nfs/dbraw/zinc/68/96/05/643689605.db2.gz GMOQXSKWLHHLQL-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN CC(C)NCc1cn(CCC(C)(C)C)nn1 ZINC000085273251 643716517 /nfs/dbraw/zinc/71/65/17/643716517.db2.gz ONMGOZOEVZGBPW-UHFFFAOYSA-N 0 1 224.352 2.212 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@H](CC)COC ZINC000921765890 643779822 /nfs/dbraw/zinc/77/98/22/643779822.db2.gz PYJAOVQUPUZFDA-MRVPVSSYSA-N 0 1 245.754 2.140 20 0 BEADMN C[C@@H](NCc1cnn(C2CCC2)c1)c1cn[nH]c1 ZINC000921933892 643828941 /nfs/dbraw/zinc/82/89/41/643828941.db2.gz BBKSBDFXTOEIEP-SNVBAGLBSA-N 0 1 245.330 2.182 20 0 BEADMN Cc1cnc(Cl)c(CN[C@@]2(C)CCOC2)c1 ZINC000921934589 643829022 /nfs/dbraw/zinc/82/90/22/643829022.db2.gz RUSSGKNERIYXFP-LBPRGKRZSA-N 0 1 240.734 2.312 20 0 BEADMN CC[C@@H]1CN(CCCc2cccnc2)CCO1 ZINC000929257695 643830881 /nfs/dbraw/zinc/83/08/81/643830881.db2.gz PKVOCKHNEULRCG-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922154304 643874466 /nfs/dbraw/zinc/87/44/66/643874466.db2.gz IOOHDIOHOGFURE-HBNTYKKESA-N 0 1 233.302 2.089 20 0 BEADMN Cc1nnsc1[C@H](C)N(C)CC1CC1 ZINC000929290518 643952162 /nfs/dbraw/zinc/95/21/62/643952162.db2.gz VOVZPZIGVREZCU-QMMMGPOBSA-N 0 1 211.334 2.249 20 0 BEADMN C[C@@H](NCc1cc[nH]c(=O)c1)c1ccns1 ZINC000922297126 643958320 /nfs/dbraw/zinc/95/83/20/643958320.db2.gz JMLDGNGDQGKZBD-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN C/C=C/CNCc1ccc(C(=O)OC)cc1F ZINC000922295298 643960254 /nfs/dbraw/zinc/96/02/54/643960254.db2.gz WTFOKHOTZGDSNT-ONEGZZNKSA-N 0 1 237.274 2.278 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1cccs1 ZINC000086269937 643976504 /nfs/dbraw/zinc/97/65/04/643976504.db2.gz DDXQVTXARNURNR-ONGXEEELSA-N 0 1 239.340 2.086 20 0 BEADMN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1nccs1 ZINC000922509877 644007615 /nfs/dbraw/zinc/00/76/15/644007615.db2.gz COLYBQNWTCMZBO-DOLQZWNJSA-N 0 1 208.330 2.277 20 0 BEADMN COC(C)(C)[C@H](C)NCc1cn(C2CC2)cn1 ZINC000922583668 644033924 /nfs/dbraw/zinc/03/39/24/644033924.db2.gz RPXBOEBBHJILIT-JTQLQIEISA-N 0 1 237.347 2.121 20 0 BEADMN Cc1cnc(Cl)c(CN[C@H]2COC[C@@H]2C)c1 ZINC000922638659 644044722 /nfs/dbraw/zinc/04/47/22/644044722.db2.gz JZBOQVUMQBBTBM-ONGXEEELSA-N 0 1 240.734 2.168 20 0 BEADMN CC(C)(/C=C\Cl)NCc1cnn2c1CCC2 ZINC000922644615 644049716 /nfs/dbraw/zinc/04/97/16/644049716.db2.gz JTAHJAHYEYIHBF-WAYWQWQTSA-N 0 1 239.750 2.450 20 0 BEADMN CC(C)(/C=C\Cl)NCc1ccc(CO)o1 ZINC000922647453 644051000 /nfs/dbraw/zinc/05/10/00/644051000.db2.gz CGHRMHSALFYDLX-WAYWQWQTSA-N 0 1 229.707 2.393 20 0 BEADMN Cn1cncc1CNC(C)(C)/C=C\Cl ZINC000922648229 644052295 /nfs/dbraw/zinc/05/22/95/644052295.db2.gz FPRBUPKLJWTVBS-PLNGDYQASA-N 0 1 213.712 2.041 20 0 BEADMN Cc1cnn(C)c1CNC(C)(C)/C=C/Cl ZINC000922649802 644057198 /nfs/dbraw/zinc/05/71/98/644057198.db2.gz YHFGHXBHFDWRKS-AATRIKPKSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1cnc(CNC[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000922728629 644080840 /nfs/dbraw/zinc/08/08/40/644080840.db2.gz SGJRVSIZKDELGZ-JGVFFNPUSA-N 0 1 234.221 2.271 20 0 BEADMN Cc1c[nH]c(CNC[C@H]2CCCC3(CCC3)O2)n1 ZINC000922808957 644101054 /nfs/dbraw/zinc/10/10/54/644101054.db2.gz BDAMQEJGWHZWSG-GFCCVEGCSA-N 0 1 249.358 2.300 20 0 BEADMN Cc1cc(CN[C@@H]2CCS[C@@H](C)C2)no1 ZINC000922837209 644114457 /nfs/dbraw/zinc/11/44/57/644114457.db2.gz GAIQYRUEPRCANL-VHSXEESVSA-N 0 1 226.345 2.357 20 0 BEADMN CCONC(=O)[C@@H](c1ccccc1)C(C)C ZINC000079429739 644179112 /nfs/dbraw/zinc/17/91/12/644179112.db2.gz LOFIQNQCWQJRNH-GFCCVEGCSA-N 0 1 221.300 2.494 20 0 BEADMN CCONC(=O)[C@H](c1ccccc1)C(C)C ZINC000079429742 644179791 /nfs/dbraw/zinc/17/97/91/644179791.db2.gz LOFIQNQCWQJRNH-LBPRGKRZSA-N 0 1 221.300 2.494 20 0 BEADMN CC(C)CN(CN1CCSC1=S)C1CC1 ZINC000192766684 644181251 /nfs/dbraw/zinc/18/12/51/644181251.db2.gz DWPRJLXGRVDTSU-UHFFFAOYSA-N 0 1 244.429 2.398 20 0 BEADMN Cc1sccc1CNCc1cncc(O)c1 ZINC000922976091 644206839 /nfs/dbraw/zinc/20/68/39/644206839.db2.gz QIQQLBWNEBBROS-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CSCCSc1nc(C2CC2)n[nH]1 ZINC000193043062 644210569 /nfs/dbraw/zinc/21/05/69/644210569.db2.gz BSNQATQJEVLCLP-UHFFFAOYSA-N 0 1 215.347 2.137 20 0 BEADMN CSCCSc1n[nH]c(C2CC2)n1 ZINC000193043062 644210570 /nfs/dbraw/zinc/21/05/70/644210570.db2.gz BSNQATQJEVLCLP-UHFFFAOYSA-N 0 1 215.347 2.137 20 0 BEADMN CCCCCN(C(=O)c1[nH]nnc1C)C(C)C ZINC000188705986 644212392 /nfs/dbraw/zinc/21/23/92/644212392.db2.gz OHZMNRHGZNJAJF-UHFFFAOYSA-N 0 1 238.335 2.154 20 0 BEADMN c1cc(CNC2([C@@H]3CCCCO3)CC2)sn1 ZINC000923027859 644235067 /nfs/dbraw/zinc/23/50/67/644235067.db2.gz JWSIHDSQROXAMZ-NSHDSACASA-N 0 1 238.356 2.334 20 0 BEADMN Cc1cc(CNC2([C@@H]3CCCCO3)CC2)on1 ZINC000923027712 644236187 /nfs/dbraw/zinc/23/61/87/644236187.db2.gz HKZVOMXARQPGSA-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN Cc1ccc(CN[C@]23C[C@H]2COC32CCC2)o1 ZINC000923032496 644239418 /nfs/dbraw/zinc/23/94/18/644239418.db2.gz BZAZJHSBNGTATA-SMDDNHRTSA-N 0 1 233.311 2.389 20 0 BEADMN COC(=O)c1cc(CN2CCC2(C)C)c(C)o1 ZINC000081045625 644301152 /nfs/dbraw/zinc/30/11/52/644301152.db2.gz UADPQWWIUDYDOB-UHFFFAOYSA-N 0 1 237.299 2.359 20 0 BEADMN CCCCCC[C@H](O)C[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000923253846 644301581 /nfs/dbraw/zinc/30/15/81/644301581.db2.gz OUTWKLGZTVAPLR-NEPJUHHUSA-N 0 1 245.363 2.113 20 0 BEADMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC(=O)[O-] ZINC000923273126 644307781 /nfs/dbraw/zinc/30/77/81/644307781.db2.gz SWHXORSWZWAZKJ-GFCCVEGCSA-N 0 1 233.311 2.339 20 0 BEADMN C/C=C/C(=O)Nc1ccc2nc[nH]c2c1 ZINC000082255073 644356981 /nfs/dbraw/zinc/35/69/81/644356981.db2.gz OTOSHZCVKDPPOS-NSCUHMNNSA-N 0 1 201.229 2.078 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1ccoc1 ZINC000083417256 644402511 /nfs/dbraw/zinc/40/25/11/644402511.db2.gz CWMUQNXDCARLME-LLVKDONJSA-N 0 1 223.272 2.109 20 0 BEADMN c1ncc(CN[C@H]2CSc3ccccc32)[nH]1 ZINC000083748717 644408710 /nfs/dbraw/zinc/40/87/10/644408710.db2.gz CKRLMKFTGLWLQP-NSHDSACASA-N 0 1 231.324 2.346 20 0 BEADMN c1ncc(CN[C@@H]2CSc3ccccc32)[nH]1 ZINC000083748715 644409775 /nfs/dbraw/zinc/40/97/75/644409775.db2.gz CKRLMKFTGLWLQP-LLVKDONJSA-N 0 1 231.324 2.346 20 0 BEADMN CCC(=O)N[C@@H]1CCN(C/C=C/Cl)[C@@H](C)C1 ZINC000946932401 644527644 /nfs/dbraw/zinc/52/76/44/644527644.db2.gz JVCAMVHPDCQGHB-XDFYEUQUSA-N 0 1 244.766 2.118 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C)C1 ZINC000245866390 644549119 /nfs/dbraw/zinc/54/91/19/644549119.db2.gz GEPZHWLHSVNNKB-SRVKXCTJSA-N 0 1 227.348 2.306 20 0 BEADMN CCn1ncc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000839043881 644554694 /nfs/dbraw/zinc/55/46/94/644554694.db2.gz VGFORSXWPHDPNF-WOPDTQHZSA-N 0 1 236.363 2.164 20 0 BEADMN CC(C)[C@H]1CCCN([C@H]2CCOC2=O)CC1 ZINC000246714439 644602951 /nfs/dbraw/zinc/60/29/51/644602951.db2.gz LWTAOWRLWOZZIZ-RYUDHWBXSA-N 0 1 225.332 2.060 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000246702228 644603209 /nfs/dbraw/zinc/60/32/09/644603209.db2.gz KTLNCGUYSMFDFQ-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN C/C=C\C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754870592 644614546 /nfs/dbraw/zinc/61/45/46/644614546.db2.gz DRFXBVKKNFRRLA-PLNGDYQASA-N 0 1 236.290 2.402 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H](CC)C1 ZINC000247040657 644618212 /nfs/dbraw/zinc/61/82/12/644618212.db2.gz VJOYDIOSTRRUIC-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@@H]1CCN(Cn2cccnc2=S)[C@H]1C ZINC000247075849 644621034 /nfs/dbraw/zinc/62/10/34/644621034.db2.gz VCPBCRVHVLPFMH-ZJUUUORDSA-N 0 1 223.345 2.300 20 0 BEADMN C[C@H]1CCCN1CN1C(=O)C[C@@H]1c1ccccc1 ZINC000247383604 644636187 /nfs/dbraw/zinc/63/61/87/644636187.db2.gz FUQVHIDJHGDXQO-GXTWGEPZSA-N 0 1 244.338 2.402 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C)[C@H]1C ZINC000247407203 644636866 /nfs/dbraw/zinc/63/68/66/644636866.db2.gz YEHULXGDEHCKKX-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)CC1(C)C ZINC000766621825 644667335 /nfs/dbraw/zinc/66/73/35/644667335.db2.gz BEWPFKWIPWSNKB-BENRWUELSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cccc(CN2CCC3(C2)OCCO3)c1C ZINC000093013207 644674837 /nfs/dbraw/zinc/67/48/37/644674837.db2.gz HFCKHCZXANBCQR-UHFFFAOYSA-N 0 1 247.338 2.252 20 0 BEADMN CCC[C@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000248998739 644706132 /nfs/dbraw/zinc/70/61/32/644706132.db2.gz PUHTVPSSLQGWOX-QWHCGFSZSA-N 0 1 225.332 2.180 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CCC=CO2)CCO1 ZINC000249049781 644710955 /nfs/dbraw/zinc/71/09/55/644710955.db2.gz XEEVQQRIQLTIDN-CHWSQXEVSA-N 0 1 225.332 2.180 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cccc(C2CC2)c1 ZINC000094525573 644718480 /nfs/dbraw/zinc/71/84/80/644718480.db2.gz QHCSLYIODMRMPQ-UHFFFAOYSA-N 0 1 233.311 2.471 20 0 BEADMN CCCN[C@H](C)c1nc([C@H]2C[C@H]2C)no1 ZINC000250407499 644758568 /nfs/dbraw/zinc/75/85/68/644758568.db2.gz JWDBQQDGQFAVDC-HLTSFMKQSA-N 0 1 209.293 2.254 20 0 BEADMN CC[C@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000302961103 644797166 /nfs/dbraw/zinc/79/71/66/644797166.db2.gz LQQWIHTXELEZJK-GFCCVEGCSA-N 0 1 246.310 2.202 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000251312482 644802244 /nfs/dbraw/zinc/80/22/44/644802244.db2.gz KNYPLPACIKXTBY-UWVGGRQHSA-N 0 1 201.310 2.075 20 0 BEADMN OCC[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000303741622 644842055 /nfs/dbraw/zinc/84/20/55/644842055.db2.gz IVDMBWRBCSWUEE-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@]1(C)CC(=O)N(CN2C3CCC2CC3)C1 ZINC000808136898 644874109 /nfs/dbraw/zinc/87/41/09/644874109.db2.gz KOJPGJJLHCJYBW-YIZWMMSDSA-N 0 1 236.359 2.219 20 0 BEADMN CC(C)N(CN1C(=O)CCC1(C)C)C1CC1 ZINC000808139096 644874593 /nfs/dbraw/zinc/87/45/93/644874593.db2.gz RHRGTSXUJWTLHU-UHFFFAOYSA-N 0 1 224.348 2.218 20 0 BEADMN CC[C@]1(C)CC(=O)N(CN(C)CCC2CC2)C1 ZINC000808171688 644876046 /nfs/dbraw/zinc/87/60/46/644876046.db2.gz KPNXMDGRQKFCGT-CQSZACIVSA-N 0 1 238.375 2.324 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)CCC(C)(F)F)n[nH]1 ZINC000840210380 644903355 /nfs/dbraw/zinc/90/33/55/644903355.db2.gz YXMKFYGUNLXFKV-ZCFIWIBFSA-N 0 1 247.245 2.153 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NC/C(Cl)=C\Cl ZINC000253109474 644936813 /nfs/dbraw/zinc/93/68/13/644936813.db2.gz WOFSGSPBMUKGIW-CTDODENGSA-N 0 1 224.131 2.054 20 0 BEADMN COC(=O)[C@H]1C[C@@H](C)CCN1CCCC1CC1 ZINC000813337219 644939864 /nfs/dbraw/zinc/93/98/64/644939864.db2.gz NUAVFXJPRGSKBO-WCQYABFASA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H]1C[C@H](NCCc2ccccc2)c2ncnn21 ZINC000826888559 645068509 /nfs/dbraw/zinc/06/85/09/645068509.db2.gz INRMZLKXNBDAAG-AAEUAGOBSA-N 0 1 242.326 2.116 20 0 BEADMN CC(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)=C1CCC1 ZINC000827276956 645076287 /nfs/dbraw/zinc/07/62/87/645076287.db2.gz UVNYVCVBBRJKGT-VIFPVBQESA-N 0 1 247.342 2.266 20 0 BEADMN CCC/C=C/C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837009554 645185064 /nfs/dbraw/zinc/18/50/64/645185064.db2.gz XYNSTQXIVGRJAP-GWJCSSMESA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@](C)(CN[C@H](C)c1cc(OC)no1)OC ZINC000926517610 645249418 /nfs/dbraw/zinc/24/94/18/645249418.db2.gz CPNYNJYVJSGOJH-SKDRFNHKSA-N 0 1 242.319 2.149 20 0 BEADMN CC[C@@](C)(CN[C@@H](C)c1cc(OC)no1)OC ZINC000926517608 645250198 /nfs/dbraw/zinc/25/01/98/645250198.db2.gz CPNYNJYVJSGOJH-CABZTGNLSA-N 0 1 242.319 2.149 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000843155653 645270045 /nfs/dbraw/zinc/27/00/45/645270045.db2.gz WPFWYPQNTWIWJZ-JXUBOQSCSA-N 0 1 239.319 2.211 20 0 BEADMN CCCC[C@@](C)(CO)NCc1cc(C)on1 ZINC000843426383 645291511 /nfs/dbraw/zinc/29/15/11/645291511.db2.gz WBOYDQDGOOEERC-LBPRGKRZSA-N 0 1 226.320 2.014 20 0 BEADMN CO[C@H](CN[C@H](C)c1cn(C)cn1)CC(C)C ZINC000926598100 645306591 /nfs/dbraw/zinc/30/65/91/645306591.db2.gz GLWPPVQWBGKZHI-NEPJUHHUSA-N 0 1 239.363 2.132 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H](C)CC(F)F ZINC000926627927 645323479 /nfs/dbraw/zinc/32/34/79/645323479.db2.gz HULZGNFGBZDCSP-NKWVEPMBSA-N 0 1 233.262 2.320 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1CCC(=O)C1CC1 ZINC000844384220 645325129 /nfs/dbraw/zinc/32/51/29/645325129.db2.gz DHNBEYWYVFQFMV-OLZOCXBDSA-N 0 1 239.359 2.245 20 0 BEADMN CCC(=O)CCN1CC(C)(C)OC[C@@H]1CC ZINC000844384700 645325545 /nfs/dbraw/zinc/32/55/45/645325545.db2.gz GPPNTBHUOFISRE-NSHDSACASA-N 0 1 227.348 2.245 20 0 BEADMN CC[C@@H]1CO[C@@H](CC)CN1CCC(=O)C(C)C ZINC000844387353 645327733 /nfs/dbraw/zinc/32/77/33/645327733.db2.gz QOZBMHJAYZOWKA-OLZOCXBDSA-N 0 1 241.375 2.491 20 0 BEADMN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000926639395 645327843 /nfs/dbraw/zinc/32/78/43/645327843.db2.gz RLJOYXWZNTZFAZ-UTUOFQBUSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCc1cccs1 ZINC000844836653 645345935 /nfs/dbraw/zinc/34/59/35/645345935.db2.gz KSGCRQPPHQVZTA-MWLCHTKSSA-N 0 1 239.340 2.228 20 0 BEADMN CC[C@@H]1COC[C@H]1NCc1noc2ccccc21 ZINC000926671411 645348136 /nfs/dbraw/zinc/34/81/36/645348136.db2.gz BEKXXFULMQPWQL-ZWNOBZJWSA-N 0 1 246.310 2.342 20 0 BEADMN Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)o1 ZINC000844933243 645349045 /nfs/dbraw/zinc/34/90/45/645349045.db2.gz DKTKAKCDNCWOGY-PRHODGIISA-N 0 1 237.299 2.334 20 0 BEADMN CC[C@@H](C)CCN[C@H](C)c1cc(CO)on1 ZINC000926682334 645352742 /nfs/dbraw/zinc/35/27/42/645352742.db2.gz BGCIFLBDIJJHGH-NXEZZACHSA-N 0 1 226.320 2.254 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2C=CCC2)on1 ZINC000926690175 645359933 /nfs/dbraw/zinc/35/99/33/645359933.db2.gz NOPWYJVNEJGBBK-DTWKUNHWSA-N 0 1 208.261 2.052 20 0 BEADMN CC(C)n1cc([C@@H](C)NCCc2ccoc2)nn1 ZINC000926702525 645366660 /nfs/dbraw/zinc/36/66/60/645366660.db2.gz OHNIFLCBVCTRFF-LLVKDONJSA-N 0 1 248.330 2.345 20 0 BEADMN COc1cc([C@H](C)NCCc2ccoc2)on1 ZINC000926702209 645367783 /nfs/dbraw/zinc/36/77/83/645367783.db2.gz NTDKWBAFPFHPKA-VIFPVBQESA-N 0 1 236.271 2.170 20 0 BEADMN O=C(/C=C\C1CCCCCC1)OCc1c[nH]nn1 ZINC000845563044 645367683 /nfs/dbraw/zinc/36/76/83/645367683.db2.gz CUMLBRLHQFTSPL-FPLPWBNLSA-N 0 1 249.314 2.375 20 0 BEADMN C[C@H]1C[C@H](NCCCC2CCC2)c2ncnn21 ZINC000926704841 645370154 /nfs/dbraw/zinc/37/01/54/645370154.db2.gz LHVKKWGAYUEICG-JQWIXIFHSA-N 0 1 234.347 2.454 20 0 BEADMN C[C@H]1C[C@@H](NCCC(C)(C)F)c2ncnn21 ZINC000926703598 645370321 /nfs/dbraw/zinc/37/03/21/645370321.db2.gz UQFLZDPKCBNZCX-DTWKUNHWSA-N 0 1 226.299 2.012 20 0 BEADMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cn(C)cn1 ZINC000926718261 645380419 /nfs/dbraw/zinc/38/04/19/645380419.db2.gz LARIFHHIDPVUNR-WPRPVWTQSA-N 0 1 243.301 2.362 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@]1(C)CC1(C)C ZINC000926722109 645383444 /nfs/dbraw/zinc/38/34/44/645383444.db2.gz RTCLYRJCVXKTPJ-CPCISQLKSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@]1(C)CC1(C)C ZINC000926722110 645383578 /nfs/dbraw/zinc/38/35/78/645383578.db2.gz RTCLYRJCVXKTPJ-HQJQHLMTSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H]1C[C@@H](N[C@]2(C)CC2(C)C)c2ncnn21 ZINC000926721438 645385042 /nfs/dbraw/zinc/38/50/42/645385042.db2.gz JBEUYUJEHIWECK-KBVBSXBZSA-N 0 1 220.320 2.062 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1c(C)noc1C ZINC000926727810 645388500 /nfs/dbraw/zinc/38/85/00/645388500.db2.gz OJYUWGCHIWPEMI-KOLSJAJHSA-N 0 1 224.304 2.119 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccnn1C1CCC1 ZINC000926728718 645389676 /nfs/dbraw/zinc/38/96/76/645389676.db2.gz WQEXKQTXLSTFLY-GDLCADMTSA-N 0 1 249.358 2.436 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@H]1CC1(F)F ZINC000926737263 645396103 /nfs/dbraw/zinc/39/61/03/645396103.db2.gz OIZZJZDKQBUEED-XPUUQOCRSA-N 0 1 231.246 2.074 20 0 BEADMN C[C@@H](NCC[C@@H]1CC1(F)F)c1ncco1 ZINC000926739282 645397372 /nfs/dbraw/zinc/39/73/72/645397372.db2.gz ZDHBVNNQNYLMBF-HTQZYQBOSA-N 0 1 216.231 2.371 20 0 BEADMN C[C@H](NCC[C@@H]1CCCOC1)c1ncco1 ZINC000926745164 645399981 /nfs/dbraw/zinc/39/99/81/645399981.db2.gz FJBCMNCAOZPYOO-QWRGUYRKSA-N 0 1 224.304 2.142 20 0 BEADMN CO[C@H]1C[C@H](N[C@@H]2CCCc3oc(C)nc32)C1 ZINC000926772789 645418891 /nfs/dbraw/zinc/41/88/91/645418891.db2.gz VFNJNBDKRXUWPT-GMTAPVOTSA-N 0 1 236.315 2.127 20 0 BEADMN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccnnc1 ZINC000926787120 645433019 /nfs/dbraw/zinc/43/30/19/645433019.db2.gz VMBDIBAHZKSHON-ADEWGFFLSA-N 0 1 223.295 2.408 20 0 BEADMN C=C/C=C/CCN[C@H](C)c1nonc1C ZINC000926844313 645453607 /nfs/dbraw/zinc/45/36/07/645453607.db2.gz JSBVHSLHVSEEOQ-VUHVRTRXSA-N 0 1 207.277 2.161 20 0 BEADMN Cc1ccc(CN[C@@H]2COC[C@@H]2C)c(Cl)n1 ZINC000926849716 645456524 /nfs/dbraw/zinc/45/65/24/645456524.db2.gz FTEPSZWIXYYTGZ-GZMMTYOYSA-N 0 1 240.734 2.168 20 0 BEADMN Cc1nonc1[C@H](C)NC1(C2CC2)CCC1 ZINC000926874290 645467776 /nfs/dbraw/zinc/46/77/76/645467776.db2.gz NLJNSIMSJFGWQI-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN COc1cc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)on1 ZINC000926889494 645477596 /nfs/dbraw/zinc/47/75/96/645477596.db2.gz XPHQVBPUUJOFAF-NZHYYXIDSA-N 0 1 236.315 2.378 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000926891608 645477644 /nfs/dbraw/zinc/47/76/44/645477644.db2.gz CPPHMEFZEIVNPW-USWWRNFRSA-N 0 1 249.358 2.043 20 0 BEADMN CCN(C(=O)c1ccc(CN(C)C)nc1)C(C)C ZINC000857439785 645558239 /nfs/dbraw/zinc/55/82/39/645558239.db2.gz FKYGENBGMRWESS-UHFFFAOYSA-N 0 1 249.358 2.014 20 0 BEADMN CCC/C=C\C(=O)NCc1cc(N(C)C)ccn1 ZINC000927696227 645638873 /nfs/dbraw/zinc/63/88/73/645638873.db2.gz UMGBJMJHJVZPPD-SREVYHEPSA-N 0 1 247.342 2.120 20 0 BEADMN CC1=NO[C@@H](CNCc2ccc(F)c(C)c2)C1 ZINC000857707295 645657667 /nfs/dbraw/zinc/65/76/67/645657667.db2.gz CQORQXDZNXQNBB-GFCCVEGCSA-N 0 1 236.290 2.389 20 0 BEADMN C[C@@H](O)c1ncc(CNCC(C)(C)F)s1 ZINC000865652482 645721524 /nfs/dbraw/zinc/72/15/24/645721524.db2.gz DCQGXLOEVJIBSB-SSDOTTSWSA-N 0 1 232.324 2.034 20 0 BEADMN c1cnc(CNC2([C@@H]3CCCCO3)CCC2)cn1 ZINC000865855783 645724663 /nfs/dbraw/zinc/72/46/63/645724663.db2.gz BBJXSKUUXJPLNB-ZDUSSCGKSA-N 0 1 247.342 2.058 20 0 BEADMN CC(C)c1cccc(C(=O)NC[C@@H]2CCN2C)c1 ZINC000928550314 645803314 /nfs/dbraw/zinc/80/33/14/645803314.db2.gz DVJCYECMWBXZRK-AWEZNQCLSA-N 0 1 246.354 2.244 20 0 BEADMN c1nc(C2CC2)c(CNC2CSC2)s1 ZINC000877634656 645803484 /nfs/dbraw/zinc/80/34/84/645803484.db2.gz PHXZZNDXRVEGJS-UHFFFAOYSA-N 0 1 226.370 2.226 20 0 BEADMN CCCC[C@@H](C(=O)NC[C@@H]1CCN1C)C(C)C ZINC000928551134 645806690 /nfs/dbraw/zinc/80/66/90/645806690.db2.gz LGUWNGZUAKTLIS-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC(CCC)C(=O)NC[C@@H]1CCN1C ZINC000928559173 645813538 /nfs/dbraw/zinc/81/35/38/645813538.db2.gz JCFPLGPOZJMAOH-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCC(CC)(CC)C(=O)NC[C@H]1CCN1C ZINC000928559024 645815835 /nfs/dbraw/zinc/81/58/35/645815835.db2.gz HROWICQBWFAVLU-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1conc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000878571735 645817927 /nfs/dbraw/zinc/81/79/27/645817927.db2.gz ACQKRZPJCPSPPU-CHWSQXEVSA-N 0 1 236.315 2.126 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(C(C)C)nc1 ZINC000928621764 645849539 /nfs/dbraw/zinc/84/95/39/645849539.db2.gz LSHKJCQRSANKRK-UHFFFAOYSA-N 0 1 249.358 2.485 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C)/C=C/Cl)c1C ZINC000928935514 645899382 /nfs/dbraw/zinc/89/93/82/645899382.db2.gz ZIKKIKCWOOFFBE-AATRIKPKSA-N 0 1 241.722 2.287 20 0 BEADMN O=C(C[C@H]1CC=CCC1)N1CCc2nc[nH]c2C1 ZINC000929076977 645933479 /nfs/dbraw/zinc/93/34/79/645933479.db2.gz FXOZEDJTXKYEAU-NSHDSACASA-N 0 1 245.326 2.041 20 0 BEADMN O=C(c1cccc(F)c1O)N1CCCCC1 ZINC000929098242 645937241 /nfs/dbraw/zinc/93/72/41/645937241.db2.gz VZUHVBYXCCEVMV-UHFFFAOYSA-N 0 1 223.247 2.157 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N(C)CCCSC ZINC000930317440 645951681 /nfs/dbraw/zinc/95/16/81/645951681.db2.gz AFFFKACVHBWUFC-MNOVXSKESA-N 0 1 247.404 2.259 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000929137958 645966440 /nfs/dbraw/zinc/96/64/40/645966440.db2.gz IIYQXQXZAZFVKZ-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C2(C)CC=CC2)n[nH]1 ZINC000924205242 646007409 /nfs/dbraw/zinc/00/74/09/646007409.db2.gz RZQCKIHAJOKXKI-SECBINFHSA-N 0 1 249.314 2.328 20 0 BEADMN COC(=O)c1cncc(CN2CCC(C)CC2)c1 ZINC000929215637 646014799 /nfs/dbraw/zinc/01/47/99/646014799.db2.gz JJOCBZXIDFPLJW-UHFFFAOYSA-N 0 1 248.326 2.100 20 0 BEADMN CCC[C@@H](C)N(C)Cc1nn(C)cc1C ZINC000929252592 646035135 /nfs/dbraw/zinc/03/51/35/646035135.db2.gz RJQZRXAUQHSTAK-LLVKDONJSA-N 0 1 209.337 2.349 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CCCCC1 ZINC000929237017 646028083 /nfs/dbraw/zinc/02/80/83/646028083.db2.gz HDUUZLUKJRIMPH-SECBINFHSA-N 0 1 211.334 2.393 20 0 BEADMN CCC[C@H](C)N[C@@H](C)c1cc(CO)on1 ZINC000924528258 646048105 /nfs/dbraw/zinc/04/81/05/646048105.db2.gz LVURPEFOPRUDHC-IUCAKERBSA-N 0 1 212.293 2.006 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccnnc2)cc1 ZINC000924531628 646050287 /nfs/dbraw/zinc/05/02/87/646050287.db2.gz MMBWCKDADFLOAB-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN CCn1cc(CN([C@H](C)C(C)C)C2CC2)nn1 ZINC000929274962 646055431 /nfs/dbraw/zinc/05/54/31/646055431.db2.gz OKNHVKYJEIXQMX-LLVKDONJSA-N 0 1 236.363 2.307 20 0 BEADMN Cc1nonc1[C@@H](C)NCCc1ccccc1 ZINC000924541444 646062085 /nfs/dbraw/zinc/06/20/85/646062085.db2.gz CEHBZVPYAALRJU-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H]2COCC[C@@H]2C1)C(F)F ZINC000723619983 711526782 /nfs/dbraw/zinc/52/67/82/711526782.db2.gz NPOVUVOHIAONNZ-LNFKQOIKSA-N 0 1 233.302 2.435 20 0 BEADMN Cc1cccc([C@@H](NCCO)c2ccccn2)c1 ZINC000924571070 646070626 /nfs/dbraw/zinc/07/06/26/646070626.db2.gz SCFFZZWPYSJANH-OAHLLOKOSA-N 0 1 242.322 2.061 20 0 BEADMN CC(F)(F)CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723624931 711526874 /nfs/dbraw/zinc/52/68/74/711526874.db2.gz MVAPNNMLBFVMMQ-GMTAPVOTSA-N 0 1 233.302 2.436 20 0 BEADMN C[C@@H](NCCCOCC1CC1)c1ncco1 ZINC000924582185 646075637 /nfs/dbraw/zinc/07/56/37/646075637.db2.gz JBGXHTGEGLEUTM-SNVBAGLBSA-N 0 1 224.304 2.142 20 0 BEADMN CC(C)CCCN[C@@H](C)c1cc(CO)on1 ZINC000924604189 646075710 /nfs/dbraw/zinc/07/57/10/646075710.db2.gz QFZXJUYUDRRIKI-JTQLQIEISA-N 0 1 226.320 2.254 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1nncn1C ZINC000924642961 646084399 /nfs/dbraw/zinc/08/43/99/646084399.db2.gz FZORBWXABBPKAB-DGCLKSJQSA-N 0 1 248.374 2.430 20 0 BEADMN Cc1cc(CNC2CC3(C2)CO[C@H](C)C3)no1 ZINC000924776942 646104577 /nfs/dbraw/zinc/10/45/77/646104577.db2.gz OSZJIEASMZVERK-QFWMXSHPSA-N 0 1 236.315 2.030 20 0 BEADMN CCN(C/C(C)=C/C(=O)OC)Cc1ccoc1 ZINC000929478394 646134611 /nfs/dbraw/zinc/13/46/11/646134611.db2.gz ZHIUZJLYSXSEPR-YRNVUSSQSA-N 0 1 237.299 2.221 20 0 BEADMN CCc1nc([C@H](C)N[C@H]2COC[C@H]2C)cs1 ZINC000925033619 646161640 /nfs/dbraw/zinc/16/16/40/646161640.db2.gz MSDDJIIWNKIWDR-UTLUCORTSA-N 0 1 240.372 2.391 20 0 BEADMN CCc1nc([C@H](C)N[C@@H]2COC[C@@H]2C)cs1 ZINC000925033618 646163291 /nfs/dbraw/zinc/16/32/91/646163291.db2.gz MSDDJIIWNKIWDR-LPEHRKFASA-N 0 1 240.372 2.391 20 0 BEADMN CC[C@H](COC)N[C@H]1CCCc2oc(C)nc21 ZINC000925109363 646186956 /nfs/dbraw/zinc/18/69/56/646186956.db2.gz CRPAUZSCMZPWGH-MNOVXSKESA-N 0 1 238.331 2.375 20 0 BEADMN COc1cc([C@@H](C)NC[C@H](OC)C(C)C)on1 ZINC000925191644 646197030 /nfs/dbraw/zinc/19/70/30/646197030.db2.gz OLBMCBLSXCVXOC-KOLCDFICSA-N 0 1 242.319 2.005 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)Cc1ccncc1 ZINC000925228317 646214736 /nfs/dbraw/zinc/21/47/36/646214736.db2.gz WHQFEGDTQHVJKE-NXEZZACHSA-N 0 1 246.314 2.055 20 0 BEADMN CC[C@@H]1COCCN1CCCc1cccnc1 ZINC000929658634 646225437 /nfs/dbraw/zinc/22/54/37/646225437.db2.gz BYGQOLBWXSVMEJ-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cc(C)nnc2C)C1 ZINC000929679960 646237710 /nfs/dbraw/zinc/23/77/10/646237710.db2.gz SCPTWWFJXDDJMD-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000929714189 646266550 /nfs/dbraw/zinc/26/65/50/646266550.db2.gz QNOQHASYEIWMLY-JSGCOSHPSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCSC1 ZINC000925479806 646292554 /nfs/dbraw/zinc/29/25/54/646292554.db2.gz KDEAIOWXZPQYDB-NXEZZACHSA-N 0 1 238.356 2.456 20 0 BEADMN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCSC1 ZINC000925479811 646293207 /nfs/dbraw/zinc/29/32/07/646293207.db2.gz KDEAIOWXZPQYDB-VHSXEESVSA-N 0 1 238.356 2.456 20 0 BEADMN CCn1cc(CN2CC[C@H](CC(C)C)C2)nn1 ZINC000929762896 646294118 /nfs/dbraw/zinc/29/41/18/646294118.db2.gz RQRKMASVGJTHAP-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN C[C@@H](N[C@H](CO)C1CCCCC1)c1ncco1 ZINC000925492786 646299322 /nfs/dbraw/zinc/29/93/22/646299322.db2.gz NFMRHSXINAAIKI-ZYHUDNBSSA-N 0 1 238.331 2.266 20 0 BEADMN CN(CCOC1CC1)Cc1ccc(Cl)nc1 ZINC000929786649 646315385 /nfs/dbraw/zinc/31/53/85/646315385.db2.gz HDKYFXAAUJWHII-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN CCCC1(CN[C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000925538991 646322421 /nfs/dbraw/zinc/32/24/21/646322421.db2.gz VGRFBZFBFNKZAA-GHMZBOCLSA-N 0 1 234.347 2.454 20 0 BEADMN CN(CCCC(C)(F)F)Cc1cnccn1 ZINC000929798414 646325708 /nfs/dbraw/zinc/32/57/08/646325708.db2.gz NJFHYNLOZJPJIP-UHFFFAOYSA-N 0 1 229.274 2.344 20 0 BEADMN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cnn(C)n1 ZINC000925561913 646335728 /nfs/dbraw/zinc/33/57/28/646335728.db2.gz MKQSZBMMWCUXSW-BDAKNGLRSA-N 0 1 244.289 2.044 20 0 BEADMN Cc1ncc(CCN[C@@H](C)c2ncco2)s1 ZINC000925571597 646340517 /nfs/dbraw/zinc/34/05/17/646340517.db2.gz CVHSZGUYCIQLLY-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1Cc1noc2c1COCC2 ZINC000929827632 646343989 /nfs/dbraw/zinc/34/39/89/646343989.db2.gz FAUJZAQDHJADGK-NXEZZACHSA-N 0 1 236.315 2.120 20 0 BEADMN C[C@H](c1ncccn1)N1CCC2(CCC2)C1 ZINC000929830077 646347362 /nfs/dbraw/zinc/34/73/62/646347362.db2.gz ZCOMPXWVNAZEGS-LLVKDONJSA-N 0 1 217.316 2.414 20 0 BEADMN C[C@@H](NCc1cccc(F)n1)C1(Cl)CC1 ZINC000925593237 646349543 /nfs/dbraw/zinc/34/95/43/646349543.db2.gz MBNLBRLPYIICIK-MRVPVSSYSA-N 0 1 228.698 2.470 20 0 BEADMN CC[C@@H]1C[C@H]1CN(C)[C@@H](C)C(=O)OC(C)C ZINC000929836053 646350568 /nfs/dbraw/zinc/35/05/68/646350568.db2.gz PIFNFLFJSKQWMC-TUAOUCFPSA-N 0 1 227.348 2.304 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCC(C)(O)CC1 ZINC000929838312 646351642 /nfs/dbraw/zinc/35/16/42/646351642.db2.gz VDWJVVILHHOCGE-JTQLQIEISA-N 0 1 238.306 2.129 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC[C@H](C)SC)n1 ZINC000925602813 646355434 /nfs/dbraw/zinc/35/54/34/646355434.db2.gz WREWMMBSJLTEDA-DTWKUNHWSA-N 0 1 242.392 2.009 20 0 BEADMN CC[C@H](CO)N1CCc2[nH]c3ccccc3c2C1 ZINC000929966365 646378993 /nfs/dbraw/zinc/37/89/93/646378993.db2.gz AINIYGYDMDDZLP-LLVKDONJSA-N 0 1 244.338 2.297 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCC(C)(F)F ZINC000929970092 646382688 /nfs/dbraw/zinc/38/26/88/646382688.db2.gz SMKGVRAYVOWCLD-UHFFFAOYSA-N 0 1 237.290 2.305 20 0 BEADMN COc1cccc(CN(C)Cc2cn[nH]c2)c1C ZINC000930014969 646393769 /nfs/dbraw/zinc/39/37/69/646393769.db2.gz RTUFTMKDTCNNCK-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN Cn1ccc(CN[C@@H]2CCOC23CCCCC3)n1 ZINC000925660348 646397177 /nfs/dbraw/zinc/39/71/77/646397177.db2.gz LMKYLNZFCZZCEV-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN C[C@@H](c1ncccn1)N(C)CCC1CC1 ZINC000930064959 646418180 /nfs/dbraw/zinc/41/81/80/646418180.db2.gz YSWTXQHBWUCYKE-JTQLQIEISA-N 0 1 205.305 2.270 20 0 BEADMN Fc1cccc(CCN2CCc3c[nH]nc3C2)c1 ZINC000930070110 646420378 /nfs/dbraw/zinc/42/03/78/646420378.db2.gz UPEGTFNLSRDQNS-UHFFFAOYSA-N 0 1 245.301 2.150 20 0 BEADMN COC/C(C)=C/CN(C)Cc1cccnc1 ZINC000930090679 646428575 /nfs/dbraw/zinc/42/85/75/646428575.db2.gz VRFLZOHZAOAOST-WUXMJOGZSA-N 0 1 220.316 2.106 20 0 BEADMN CCc1ncc(CN(C)[C@H]2CCSC2)o1 ZINC000930094284 646430611 /nfs/dbraw/zinc/43/06/11/646430611.db2.gz QUSGSKFJLNUBIG-VIFPVBQESA-N 0 1 226.345 2.174 20 0 BEADMN CCc1onc(C)c1CN(C)[C@@H]1CCSC1 ZINC000930094245 646430922 /nfs/dbraw/zinc/43/09/22/646430922.db2.gz QENNOIFSPOOFBT-SNVBAGLBSA-N 0 1 240.372 2.483 20 0 BEADMN C[C@H](c1ccccn1)N(C)CCOC1CC1 ZINC000930119770 646442241 /nfs/dbraw/zinc/44/22/41/646442241.db2.gz RNAHCOGSYBTBDR-LLVKDONJSA-N 0 1 220.316 2.253 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CC[C@@H](C(F)F)C1 ZINC000930128648 646450613 /nfs/dbraw/zinc/45/06/13/646450613.db2.gz WSHBKVKOYHGTDX-AEJSXWLSSA-N 0 1 249.301 2.161 20 0 BEADMN Cc1nnsc1[C@H](C)N1CC[C@@H](C(F)F)C1 ZINC000930127803 646450890 /nfs/dbraw/zinc/45/08/90/646450890.db2.gz RPWNDELTTHVUCL-JGVFFNPUSA-N 0 1 247.314 2.495 20 0 BEADMN CC(C)C[C@@H](N[C@@H]1CNOC1)c1cccs1 ZINC000925864841 646515903 /nfs/dbraw/zinc/51/59/03/646515903.db2.gz UFTGCFBSIZVNAN-GHMZBOCLSA-N 0 1 240.372 2.328 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CC[C@@H](C)C1 ZINC000926233931 646602898 /nfs/dbraw/zinc/60/28/98/646602898.db2.gz YZGBVGLAINEHDM-WEDXCCLWSA-N 0 1 209.293 2.217 20 0 BEADMN Cc1nonc1[C@H](C)N[C@@H]1CC[C@@H](C)C1 ZINC000926233928 646602988 /nfs/dbraw/zinc/60/29/88/646602988.db2.gz YZGBVGLAINEHDM-KHQFGBGNSA-N 0 1 209.293 2.217 20 0 BEADMN CCOC[C@H](N[C@H](C)c1nonc1C)C(C)C ZINC000926260472 646607717 /nfs/dbraw/zinc/60/77/17/646607717.db2.gz SUSNKVJJSOYBRG-KOLCDFICSA-N 0 1 241.335 2.090 20 0 BEADMN Cc1cscc1CN[C@@H](C)c1cnnn1C ZINC000926305019 646614544 /nfs/dbraw/zinc/61/45/44/646614544.db2.gz XBKOGDODDFUUKX-VIFPVBQESA-N 0 1 236.344 2.036 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NCCC[C@@H](C)O ZINC000926316619 646615553 /nfs/dbraw/zinc/61/55/53/646615553.db2.gz WIQPULPNBFENGE-KOLCDFICSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@@H](N[C@@H](C)c1cnnn1C)c1ccsc1 ZINC000926369710 646628318 /nfs/dbraw/zinc/62/83/18/646628318.db2.gz NNQXNWWOYDFEMD-BDAKNGLRSA-N 0 1 236.344 2.288 20 0 BEADMN C[C@@H](NCC1(C(F)(F)F)CC1)c1cn(C)cn1 ZINC000926409200 646631594 /nfs/dbraw/zinc/63/15/94/646631594.db2.gz ODYOEFGBOYOPDC-MRVPVSSYSA-N 0 1 247.264 2.413 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H]1CCC1(C)C ZINC000926424467 646635784 /nfs/dbraw/zinc/63/57/84/646635784.db2.gz QGLGXHIYWYWBNS-APPZFPTMSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H]1C[C@H](NCCC2(F)CCC2)c2ncnn21 ZINC000926423728 646635891 /nfs/dbraw/zinc/63/58/91/646635891.db2.gz KMFIICBHRQHJOE-UWVGGRQHSA-N 0 1 238.310 2.156 20 0 BEADMN C[C@@H](NC[C@H]1CCCSC1)c1ncco1 ZINC000926429534 646637511 /nfs/dbraw/zinc/63/75/11/646637511.db2.gz HJPFANPYYBXSBN-NXEZZACHSA-N 0 1 226.345 2.468 20 0 BEADMN CCOCC(C)(C)CN[C@H](C)c1ncco1 ZINC000926438929 646640227 /nfs/dbraw/zinc/64/02/27/646640227.db2.gz QZRLPUVFURPKFT-SNVBAGLBSA-N 0 1 226.320 2.388 20 0 BEADMN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000926469613 646652384 /nfs/dbraw/zinc/65/23/84/646652384.db2.gz AHZJHOKWOZYFKR-IJLUTSLNSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H](NCCC(C)(F)F)c1ncc[nH]1 ZINC000926495050 646662159 /nfs/dbraw/zinc/66/21/59/646662159.db2.gz MQGNBAZVGFBIAF-SSDOTTSWSA-N 0 1 203.236 2.106 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1cc(OC)no1)OC ZINC000926503166 646664133 /nfs/dbraw/zinc/66/41/33/646664133.db2.gz UITHDWJHBPZXJY-ZJUUUORDSA-N 0 1 242.319 2.149 20 0 BEADMN CCC1(N[C@H](C)c2cc(OC)no2)CC1 ZINC000926511494 646669426 /nfs/dbraw/zinc/66/94/26/646669426.db2.gz IRODZYMKUFOWDN-MRVPVSSYSA-N 0 1 210.277 2.276 20 0 BEADMN CC[C@H](NCc1ncc(C)o1)[C@H]1CCCOC1 ZINC000724006050 711554517 /nfs/dbraw/zinc/55/45/17/711554517.db2.gz JEYLJOCYUUSLDL-RYUDHWBXSA-N 0 1 238.331 2.278 20 0 BEADMN C[C@@H]1CCN1C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724113710 711561514 /nfs/dbraw/zinc/56/15/14/711561514.db2.gz GQSSQSWJUNWZQX-RNFRBKRXSA-N 0 1 247.207 2.029 20 0 BEADMN CC[C@@H](C[C@H](C)O)NCc1ncc(Cl)s1 ZINC000716956098 711589442 /nfs/dbraw/zinc/58/94/42/711589442.db2.gz SAQAMQDIMNHQRG-YUMQZZPRSA-N 0 1 248.779 2.436 20 0 BEADMN Cc1nc(C)c(CN(C)C[C@@H]2CCCCO2)[nH]1 ZINC000724782503 711612690 /nfs/dbraw/zinc/61/26/90/711612690.db2.gz CHTXLUCTLHQQAS-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Fc1ccc(CN2C3CCC2CC3)cn1 ZINC000725377861 711664712 /nfs/dbraw/zinc/66/47/12/711664712.db2.gz CXYSGHHQKGUTEH-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CCC1(NCc2cnsn2)CCCC1 ZINC000399825381 711761476 /nfs/dbraw/zinc/76/14/76/711761476.db2.gz ZTVBPFSTTUBGHK-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN CCc1nnc(CN[C@H]2CC=CCC2)s1 ZINC000702708328 712060055 /nfs/dbraw/zinc/06/00/55/712060055.db2.gz VROKQYXVTRESHE-VIFPVBQESA-N 0 1 223.345 2.299 20 0 BEADMN C[C@H]1COC[C@H]1NCc1csc(C2CC2)n1 ZINC000708205260 712184304 /nfs/dbraw/zinc/18/43/04/712184304.db2.gz SQSRSBOZXXDLCT-GZMMTYOYSA-N 0 1 238.356 2.145 20 0 BEADMN C[C@@H]1N(CCC(=O)C(C)(C)C)CCOC1(C)C ZINC000708292543 712185349 /nfs/dbraw/zinc/18/53/49/712185349.db2.gz ZTLHJMGLLKIHCZ-NSHDSACASA-N 0 1 241.375 2.491 20 0 BEADMN Cc1csc(CNCCc2ccns2)n1 ZINC000709774750 712222939 /nfs/dbraw/zinc/22/29/39/712222939.db2.gz GUOPIAGZAWQDHR-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN CCC(C)(C)OCCN[C@H](C)c1cn(C)cn1 ZINC000709973528 712236178 /nfs/dbraw/zinc/23/61/78/712236178.db2.gz XIDWJZZWAZIUFA-LLVKDONJSA-N 0 1 239.363 2.276 20 0 BEADMN CN[C@H](C)c1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000711136515 712286526 /nfs/dbraw/zinc/28/65/26/712286526.db2.gz JQUVFHFUHMBUGF-NXEZZACHSA-N 0 1 224.352 2.241 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711393846 712297297 /nfs/dbraw/zinc/29/72/97/712297297.db2.gz NPXPIDJCIQDFMH-MRVPVSSYSA-N 0 1 225.313 2.431 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000711446026 712300560 /nfs/dbraw/zinc/30/05/60/712300560.db2.gz BDQPDPROHHAJAW-WDEREUQCSA-N 0 1 231.311 2.311 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000711446025 712301028 /nfs/dbraw/zinc/30/10/28/712301028.db2.gz BDQPDPROHHAJAW-QWRGUYRKSA-N 0 1 231.311 2.311 20 0 BEADMN O[C@@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000378715715 712357540 /nfs/dbraw/zinc/35/75/40/712357540.db2.gz YXUGRCRPSDORFU-LLVKDONJSA-N 0 1 240.734 2.082 20 0 BEADMN COC[C@H](NCc1scnc1Cl)C1CC1 ZINC000713435454 712460199 /nfs/dbraw/zinc/46/01/99/712460199.db2.gz FBLBAIUPAKVVAJ-QMMMGPOBSA-N 0 1 246.763 2.311 20 0 BEADMN C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000713725273 712469772 /nfs/dbraw/zinc/46/97/72/712469772.db2.gz GXUKOKASWYSFBZ-RUULKOMLSA-N 0 1 223.316 2.161 20 0 BEADMN C=C/C=C/CC[N@H+](CCC(=O)[O-])CC1CC1 ZINC000713715684 712470081 /nfs/dbraw/zinc/47/00/81/712470081.db2.gz GBSSKNVETFXRKA-ONEGZZNKSA-N 0 1 223.316 2.305 20 0 BEADMN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+](C)CCCF ZINC000714953483 712503550 /nfs/dbraw/zinc/50/35/50/712503550.db2.gz KCJFYLRBAKFNEZ-MRVPVSSYSA-N 0 1 229.251 2.330 20 0 BEADMN Cc1nc(CN[C@@H]2CC23CC3)sc1C ZINC000715343323 712521401 /nfs/dbraw/zinc/52/14/01/712521401.db2.gz KFSDYHIYNXNENK-SECBINFHSA-N 0 1 208.330 2.402 20 0 BEADMN CCCn1cc([C@H](C)N[C@@H](C)CSC)nn1 ZINC000715898265 712541454 /nfs/dbraw/zinc/54/14/54/712541454.db2.gz UNKMJPPCWVQRGH-UWVGGRQHSA-N 0 1 242.392 2.090 20 0 BEADMN CCc1csc(NCc2cc(C)[nH]n2)n1 ZINC000716451647 712561869 /nfs/dbraw/zinc/56/18/69/712561869.db2.gz PULGQSRKTNLYLB-UHFFFAOYSA-N 0 1 222.317 2.349 20 0 BEADMN CC[C@H](C[C@H](C)O)N[C@@H](C)c1cscn1 ZINC000716956059 712599916 /nfs/dbraw/zinc/59/99/16/712599916.db2.gz RVFDYYURWPTWAB-LPEHRKFASA-N 0 1 228.361 2.343 20 0 BEADMN CCC[N@@H+](CCSC(C)(C)C)CC(=O)[O-] ZINC000379906815 712623975 /nfs/dbraw/zinc/62/39/75/712623975.db2.gz KKCJTWJNAKHDMW-UHFFFAOYSA-N 0 1 233.377 2.315 20 0 BEADMN Cc1ccc(CN2CCC(F)CC2)nc1 ZINC000112940333 712688990 /nfs/dbraw/zinc/68/89/90/712688990.db2.gz PYMZJHHZGZEBOJ-UHFFFAOYSA-N 0 1 208.280 2.324 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000718611500 712773117 /nfs/dbraw/zinc/77/31/17/712773117.db2.gz ALBLOIKVIZYLSC-SECBINFHSA-N 0 1 235.274 2.218 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000718614670 712773574 /nfs/dbraw/zinc/77/35/74/712773574.db2.gz KYPXNSMDGKRLRD-JTQLQIEISA-N 0 1 235.274 2.361 20 0 BEADMN CC(C)(O)[C@H]1CCCN(Cc2nccs2)C1 ZINC000719707128 712823492 /nfs/dbraw/zinc/82/34/92/712823492.db2.gz OZOASUAIKVQNMP-JTQLQIEISA-N 0 1 240.372 2.126 20 0 BEADMN Cc1cc(CN[C@]23C[C@H]2CCCC3)no1 ZINC000720358148 712833832 /nfs/dbraw/zinc/83/38/32/712833832.db2.gz VGJGVJISRYPFSS-ZYHUDNBSSA-N 0 1 206.289 2.405 20 0 BEADMN C[C@H]1CCN(Cc2cccc(O)c2)CCO1 ZINC000720482350 712846587 /nfs/dbraw/zinc/84/65/87/712846587.db2.gz KQAFCTBCSZQTRH-NSHDSACASA-N 0 1 221.300 2.003 20 0 BEADMN CCc1cc(CNC[C@H]2CCC=CO2)on1 ZINC000381295551 710617426 /nfs/dbraw/zinc/61/74/26/710617426.db2.gz GFAWQEBWXBTZJH-LLVKDONJSA-N 0 1 222.288 2.019 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cccnc1Cl ZINC000381396825 710631470 /nfs/dbraw/zinc/63/14/70/710631470.db2.gz OZMZYJMFMWUHNT-JTQLQIEISA-N 0 1 240.734 2.080 20 0 BEADMN CS/C=C/c1nc([C@H](N)C(C)C)no1 ZINC000393606260 710633063 /nfs/dbraw/zinc/63/30/63/710633063.db2.gz MLRZVFYJLVKWGA-WTSVBCDHSA-N 0 1 213.306 2.059 20 0 BEADMN C[C@@H]1CC[C@@H]1NCc1nccc(C(F)F)n1 ZINC000381457330 710638451 /nfs/dbraw/zinc/63/84/51/710638451.db2.gz IVRNFGQVTBFLKP-SFYZADRCSA-N 0 1 227.258 2.302 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1 ZINC000721209561 712898635 /nfs/dbraw/zinc/89/86/35/712898635.db2.gz CYOXWYPWCPHLHL-MJBXVCDLSA-N 0 1 245.322 2.148 20 0 BEADMN CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018201388 710662623 /nfs/dbraw/zinc/66/26/23/710662623.db2.gz BGFJAXFGGXWUCX-TXEJJXNPSA-N 0 1 238.375 2.116 20 0 BEADMN CC(C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018201388 710662633 /nfs/dbraw/zinc/66/26/33/710662633.db2.gz BGFJAXFGGXWUCX-TXEJJXNPSA-N 0 1 238.375 2.116 20 0 BEADMN Cc1[nH+]c(N2C[C@@H]3[C@H](C2)C3(C)C)ccc1C(=O)[O-] ZINC000380432291 712900903 /nfs/dbraw/zinc/90/09/03/712900903.db2.gz XPOHUOGUEFNODI-PHIMTYICSA-N 0 1 246.310 2.180 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1CC(=O)[O-] ZINC000722622183 710717989 /nfs/dbraw/zinc/71/79/89/710717989.db2.gz RTWQYQJMTNHMPZ-MWLCHTKSSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@]1(C[N@H+]2CCC[C@H]2CC(=O)[O-])CCCS1 ZINC000382012953 710765354 /nfs/dbraw/zinc/76/53/54/710765354.db2.gz NEWFTKOXDOIPIH-CMPLNLGQSA-N 0 1 243.372 2.211 20 0 BEADMN CCC(=O)N(C)C1CN(CCCC2CCC2)C1 ZINC001042388512 710777516 /nfs/dbraw/zinc/77/75/16/710777516.db2.gz PYQFOOWTJKYQLM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(C[N@@H+](CCC(=O)[O-])C2CC2)cs1 ZINC000380570274 712901578 /nfs/dbraw/zinc/90/15/78/712901578.db2.gz OBZXPSDUZODVLW-UHFFFAOYSA-N 0 1 239.340 2.496 20 0 BEADMN COC(OC)[C@H](C)NCc1cccc(C)c1F ZINC000384531918 710915869 /nfs/dbraw/zinc/91/58/69/710915869.db2.gz MLWAZWZXFKFRSH-JTQLQIEISA-N 0 1 241.306 2.231 20 0 BEADMN C/C=C/CNCc1c(C)nn(C)c1Cl ZINC000384831356 710997193 /nfs/dbraw/zinc/99/71/93/710997193.db2.gz GWOWLSUUHZYFCA-SNAWJCMRSA-N 0 1 213.712 2.048 20 0 BEADMN Cc1cc(CNCC[C@@H](O)c2ccccc2)no1 ZINC000385071043 711004778 /nfs/dbraw/zinc/00/47/78/711004778.db2.gz IFWDTAKGJHTJSH-CQSZACIVSA-N 0 1 246.310 2.196 20 0 BEADMN CSC(C)(C)CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000385808956 711018251 /nfs/dbraw/zinc/01/82/51/711018251.db2.gz HWXVVUAOILCWLK-SECBINFHSA-N 0 1 233.377 2.171 20 0 BEADMN Cc1nccc(NCCCCCCO)c1Cl ZINC000380742788 712902714 /nfs/dbraw/zinc/90/27/14/712902714.db2.gz SFTIIEAPXZSVPU-UHFFFAOYSA-N 0 1 242.750 2.430 20 0 BEADMN CC(C)C1(O)CN(CCSC(C)(C)C)C1 ZINC000389329738 711076249 /nfs/dbraw/zinc/07/62/49/711076249.db2.gz LDOXGSWZXBTBGN-UHFFFAOYSA-N 0 1 231.405 2.221 20 0 BEADMN Cc1cc(CN[C@@H](C)CF)cc(Cl)n1 ZINC000389349981 711077051 /nfs/dbraw/zinc/07/70/51/711077051.db2.gz NNPUMAVNDWGECS-QMMMGPOBSA-N 0 1 216.687 2.491 20 0 BEADMN COC(=O)CC(C)(C)NCc1ccc(Cl)o1 ZINC000390570578 711124908 /nfs/dbraw/zinc/12/49/08/711124908.db2.gz UXGYRFPFYDDMSC-UHFFFAOYSA-N 0 1 245.706 2.364 20 0 BEADMN Cc1sccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000390555006 711125598 /nfs/dbraw/zinc/12/55/98/711125598.db2.gz HYYFZKACCGLKMX-LLVKDONJSA-N 0 1 239.340 2.496 20 0 BEADMN CCc1nnc(CNCCc2ccccc2)s1 ZINC000391873841 711141429 /nfs/dbraw/zinc/14/14/29/711141429.db2.gz MOXNCBOYIYMDSO-UHFFFAOYSA-N 0 1 247.367 2.433 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCCC2CC2)C1 ZINC000394489306 711193238 /nfs/dbraw/zinc/19/32/38/711193238.db2.gz BGBCAPOUMXZOBI-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ncc[nH]1 ZINC000393661916 711167621 /nfs/dbraw/zinc/16/76/21/711167621.db2.gz YZIHTXPDCSOWKO-HTQZYQBOSA-N 0 1 215.247 2.248 20 0 BEADMN C[N@@H+](C/C=C/Cl)C1(C(=O)[O-])CCCCC1 ZINC000393800339 711175176 /nfs/dbraw/zinc/17/51/76/711175176.db2.gz RGUIUVMCKLXOBU-VMPITWQZSA-N 0 1 231.723 2.458 20 0 BEADMN CCc1nnc(CNCCCC2CC2)s1 ZINC000394626125 711196532 /nfs/dbraw/zinc/19/65/32/711196532.db2.gz GYNDABGTCWRRFV-UHFFFAOYSA-N 0 1 225.361 2.380 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000394793728 711198451 /nfs/dbraw/zinc/19/84/51/711198451.db2.gz OMMUYPPBTAEWDP-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000394981838 711200141 /nfs/dbraw/zinc/20/01/41/711200141.db2.gz YSFZSTJYWIOKDI-JTQLQIEISA-N 0 1 247.285 2.361 20 0 BEADMN CCNCc1nc(-c2sccc2C)no1 ZINC000395489739 711209417 /nfs/dbraw/zinc/20/94/17/711209417.db2.gz QMULNRHDWITVMB-UHFFFAOYSA-N 0 1 223.301 2.216 20 0 BEADMN FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cnn[n-]2)C1 ZINC000398352365 711408500 /nfs/dbraw/zinc/40/85/00/711408500.db2.gz GDJDYFURTRJVMM-JGVFFNPUSA-N 0 1 248.252 2.015 20 0 BEADMN C[C@H]1COCCCN1Cc1ccc(O)c(F)c1 ZINC000398925819 711418068 /nfs/dbraw/zinc/41/80/68/711418068.db2.gz NEDOMMWDYDSDRJ-JTQLQIEISA-N 0 1 239.290 2.142 20 0 BEADMN C[C@H](NCc1cnsn1)C1CCCC1 ZINC000399826195 711436096 /nfs/dbraw/zinc/43/60/96/711436096.db2.gz GELUGKICQLNFQL-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CC[C@@H](C)[C@H](CNc1ccc2c(n1)CCC2)OC ZINC000381212284 710609128 /nfs/dbraw/zinc/60/91/28/710609128.db2.gz XTIBVDRNMPBHGW-RISCZKNCSA-N 0 1 248.370 2.465 20 0 BEADMN C[C@H](CC(C)(C)C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000384980750 711002952 /nfs/dbraw/zinc/00/29/52/711002952.db2.gz ULJDMKXABGEXOV-NXEZZACHSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1nc(CN[C@H]2CCc3c2cccc3F)n[nH]1 ZINC000392361767 711145065 /nfs/dbraw/zinc/14/50/65/711145065.db2.gz CALKDTZNLPZGHB-LBPRGKRZSA-N 0 1 246.289 2.029 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394620617 711195445 /nfs/dbraw/zinc/19/54/45/711195445.db2.gz FBURGEBSDUMCPF-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722608648 711455475 /nfs/dbraw/zinc/45/54/75/711455475.db2.gz ICXJROBORXVHSD-ZYHUDNBSSA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1CC(=O)[O-] ZINC000722698636 711466314 /nfs/dbraw/zinc/46/63/14/711466314.db2.gz RZZDFUQXZAFFQV-JHJVBQTASA-N 0 1 237.343 2.385 20 0 BEADMN CSC[C@@H](C)NCc1nccn1C1CC1 ZINC000711802297 711467332 /nfs/dbraw/zinc/46/73/32/711467332.db2.gz IGIOBSJFRPZPGU-SECBINFHSA-N 0 1 225.361 2.059 20 0 BEADMN C[C@H](NC[C@H](O)c1ccco1)c1ccco1 ZINC000037890585 711481135 /nfs/dbraw/zinc/48/11/35/711481135.db2.gz YFZGWBCFXPOXTE-UWVGGRQHSA-N 0 1 221.256 2.257 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1cccnc1Cl ZINC000723032268 711495993 /nfs/dbraw/zinc/49/59/93/711495993.db2.gz JZRYCJNNXZWBDC-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000723126423 711506601 /nfs/dbraw/zinc/50/66/01/711506601.db2.gz OCYGLNRBQOBSOX-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1nc(C)c(CN[C@@H]2COC3(CCC3)C2)o1 ZINC000723601322 711523936 /nfs/dbraw/zinc/52/39/36/711523936.db2.gz AJYWCOQAXNPJSW-NSHDSACASA-N 0 1 236.315 2.093 20 0 BEADMN FC(F)CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723627413 711526602 /nfs/dbraw/zinc/52/66/02/711526602.db2.gz CRNWBNMYYNPDRG-IVZWLZJFSA-N 0 1 219.275 2.046 20 0 BEADMN CC(F)(F)CN[C@H](C1CC1)[C@H]1CCCOC1 ZINC000723962104 711548161 /nfs/dbraw/zinc/54/81/61/711548161.db2.gz BHSTXBGLDPEPPQ-WDEREUQCSA-N 0 1 233.302 2.436 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000924407251 711577100 /nfs/dbraw/zinc/57/71/00/711577100.db2.gz HOPLFDDTFPLPAF-PRHODGIISA-N 0 1 235.287 2.074 20 0 BEADMN CC(C)(C)c1coc(CNC[C@@H]2CCOC2)n1 ZINC000724388693 711577622 /nfs/dbraw/zinc/57/76/22/711577622.db2.gz RLKUEYKRDUKZRR-JTQLQIEISA-N 0 1 238.331 2.098 20 0 BEADMN CO[C@@H](C)CCNCc1nc(C(C)(C)C)co1 ZINC000724408888 711578678 /nfs/dbraw/zinc/57/86/78/711578678.db2.gz WBXJSRHOEKRRMY-JTQLQIEISA-N 0 1 240.347 2.487 20 0 BEADMN CCO[C@H]1CCCN(Cc2[nH]c(C)nc2C)C1 ZINC000724782798 711613480 /nfs/dbraw/zinc/61/34/80/711613480.db2.gz MJSSSNNRHLKMSD-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721528868 711618247 /nfs/dbraw/zinc/61/82/47/711618247.db2.gz BVUNADMGIZLLHJ-ZJUUUORDSA-N 0 1 234.299 2.010 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000721528862 711618453 /nfs/dbraw/zinc/61/84/53/711618453.db2.gz BVUNADMGIZLLHJ-NXEZZACHSA-N 0 1 234.299 2.010 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cncc(C(=O)[O-])c1 ZINC000721542947 711619975 /nfs/dbraw/zinc/61/99/75/711619975.db2.gz VFZAVACCMYGSNB-JTQLQIEISA-N 0 1 236.315 2.258 20 0 BEADMN CC(C)[N@H+](Cc1cncc(C(=O)[O-])c1)CC1CC1 ZINC000721543995 711621469 /nfs/dbraw/zinc/62/14/69/711621469.db2.gz AQBYLFGESCFKGY-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721547827 711622591 /nfs/dbraw/zinc/62/25/91/711622591.db2.gz MHBPRXDXAWTARD-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC000721547825 711622597 /nfs/dbraw/zinc/62/25/97/711622597.db2.gz MHBPRXDXAWTARD-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CC(F)(F)C1 ZINC000383103074 711668200 /nfs/dbraw/zinc/66/82/00/711668200.db2.gz YGBIYGZHOFWUKP-UHFFFAOYSA-N 0 1 235.274 2.217 20 0 BEADMN O=C(N[C@H]1CCC(F)(F)C1)C(F)(F)C(F)F ZINC000309423505 711697600 /nfs/dbraw/zinc/69/76/00/711697600.db2.gz BIVUUAHSBNUUCP-BYPYZUCNSA-N 0 1 249.154 2.191 20 0 BEADMN CCN(CC(=O)OCC(C)C)C1CCCC1 ZINC000181433873 711698039 /nfs/dbraw/zinc/69/80/39/711698039.db2.gz PZICPCGLJQDHTF-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1nccn1C ZINC000722314719 711734690 /nfs/dbraw/zinc/73/46/90/711734690.db2.gz DZBOJPVYARLGEZ-CYZMBNFOSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@@H](C3CC3)O2)[nH]c1C ZINC000722317582 711734934 /nfs/dbraw/zinc/73/49/34/711734934.db2.gz UDHLGMGHIBVKAG-STQMWFEESA-N 0 1 249.358 2.074 20 0 BEADMN Cc1nc(CNC[C@@H]2CC[C@H](C3CC3)O2)[nH]c1C ZINC000722317581 711735129 /nfs/dbraw/zinc/73/51/29/711735129.db2.gz UDHLGMGHIBVKAG-QWHCGFSZSA-N 0 1 249.358 2.074 20 0 BEADMN CC(C)(C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000909421207 711774782 /nfs/dbraw/zinc/77/47/82/711774782.db2.gz AVNSABHZEHWSPI-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cnc(CN2CCCCC[C@H]2CCO)o1 ZINC000342076827 711793346 /nfs/dbraw/zinc/79/33/46/711793346.db2.gz ZTWUSGZTKXSITQ-LBPRGKRZSA-N 0 1 238.331 2.110 20 0 BEADMN O=C(C1=CCCCCC1)N1CC(N2CCCC2)C1 ZINC000898604845 711802154 /nfs/dbraw/zinc/80/21/54/711802154.db2.gz NPICPIIAPMYDOV-UHFFFAOYSA-N 0 1 248.370 2.184 20 0 BEADMN CCn1cc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)nn1 ZINC000899641752 711803443 /nfs/dbraw/zinc/80/34/43/711803443.db2.gz AXYNPZUYYHYMMN-WOPDTQHZSA-N 0 1 236.363 2.164 20 0 BEADMN CCn1cc(CN2CC[C@H](C3CCCC3)C2)nn1 ZINC000899872717 711803745 /nfs/dbraw/zinc/80/37/45/711803745.db2.gz MGKIWDZFMRMDOD-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN CC[C@@H]1CCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000160252075 711806203 /nfs/dbraw/zinc/80/62/03/711806203.db2.gz WYADTMVWRKFUIF-SNVBAGLBSA-N 0 1 234.299 2.325 20 0 BEADMN CC(=O)N(C)C1CN(CCCC2CCCC2)C1 ZINC001042391059 711818147 /nfs/dbraw/zinc/81/81/47/711818147.db2.gz DULQUONMFRTZQX-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000913354051 711821645 /nfs/dbraw/zinc/82/16/45/711821645.db2.gz YVKQFQOYLRIMEJ-QAVQXKDTSA-N 0 1 247.342 2.157 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032566270 711925929 /nfs/dbraw/zinc/92/59/29/711925929.db2.gz JWKXOJQIPNGNDP-RDBSUJKOSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032567613 711926062 /nfs/dbraw/zinc/92/60/62/711926062.db2.gz KXSFMJOKMPRXBZ-KCQAQPDRSA-N 0 1 248.370 2.036 20 0 BEADMN CSCC[C@H](C)NCc1ncc(C)o1 ZINC000700404166 711992470 /nfs/dbraw/zinc/99/24/70/711992470.db2.gz GJSFBVLGVJBFNM-QMMMGPOBSA-N 0 1 214.334 2.214 20 0 BEADMN CC1(C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)CCC1 ZINC000701452767 712023406 /nfs/dbraw/zinc/02/34/06/712023406.db2.gz LILHZVOPWWCFKZ-BXUZGUMPSA-N 0 1 237.343 2.363 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701457358 712023570 /nfs/dbraw/zinc/02/35/70/712023570.db2.gz MNZNQJRZRHVFRN-ONGXEEELSA-N 0 1 247.285 2.218 20 0 BEADMN CCC(=O)N[C@H]1CCCCN(C[C@@H](F)CC)C1 ZINC001034061885 712037994 /nfs/dbraw/zinc/03/79/94/712037994.db2.gz ZOMKFQDXIUIQMM-RYUDHWBXSA-N 0 1 244.354 2.115 20 0 BEADMN CC(C)c1ccc([C@H](C)N[C@H]2CNOC2)cc1 ZINC000703381065 712074732 /nfs/dbraw/zinc/07/47/32/712074732.db2.gz NUHDFDIUAJBPMA-FZMZJTMJSA-N 0 1 234.343 2.364 20 0 BEADMN c1cnc(CN[C@H]2CCOC3(CCCC3)C2)nc1 ZINC000705399244 712130661 /nfs/dbraw/zinc/13/06/61/712130661.db2.gz JAIZMKRNADIIPD-LBPRGKRZSA-N 0 1 247.342 2.058 20 0 BEADMN CCO[C@H]1CCN(Cc2cccc(F)c2N)C1 ZINC000706470098 712146779 /nfs/dbraw/zinc/14/67/79/712146779.db2.gz TUXAHGJRPDCYAZ-NSHDSACASA-N 0 1 238.306 2.019 20 0 BEADMN Cc1[nH+]c(N2CCC[C@@H]2C2CC2)ccc1C(=O)[O-] ZINC000706495736 712147108 /nfs/dbraw/zinc/14/71/08/712147108.db2.gz YBELZFGXRUDEQF-GFCCVEGCSA-N 0 1 246.310 2.467 20 0 BEADMN CSC1CC(NCc2nc(C)cs2)C1 ZINC000706774496 712155243 /nfs/dbraw/zinc/15/52/43/712155243.db2.gz GWROOUZDKUUYBT-UHFFFAOYSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC1(C)C ZINC000706931331 712161925 /nfs/dbraw/zinc/16/19/25/712161925.db2.gz ZTJZQVSCSNHYAP-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1csc(C2CC2)n1 ZINC000708205739 712184031 /nfs/dbraw/zinc/18/40/31/712184031.db2.gz SQSRSBOZXXDLCT-LDYMZIIASA-N 0 1 238.356 2.145 20 0 BEADMN C[C@H](C[N@@H+](C)CCC(=O)[O-])CC(C)(C)C ZINC000709073736 712207744 /nfs/dbraw/zinc/20/77/44/712207744.db2.gz GXNFXHGCCIHQKN-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN COC1(OC)CC[C@H]1NCc1ccccc1F ZINC000711040999 712276300 /nfs/dbraw/zinc/27/63/00/712276300.db2.gz KNLFNJKXFVOYAE-GFCCVEGCSA-N 0 1 239.290 2.067 20 0 BEADMN C[C@H](Cn1cc(CNC2CC2)nn1)C(C)(C)C ZINC000711132345 712285993 /nfs/dbraw/zinc/28/59/93/712285993.db2.gz FOMXJMGLUBXHTC-SNVBAGLBSA-N 0 1 236.363 2.212 20 0 BEADMN O=C([O-])c1csc(C[N@@H+]2CC=CCC2)c1 ZINC000711405683 712297898 /nfs/dbraw/zinc/29/78/98/712297898.db2.gz CKEVNGVTGRUZQG-UHFFFAOYSA-N 0 1 223.297 2.208 20 0 BEADMN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1nccn1C ZINC000711488673 712306150 /nfs/dbraw/zinc/30/61/50/712306150.db2.gz QFGBQRICUZVOOT-NEPJUHHUSA-N 0 1 249.358 2.172 20 0 BEADMN CC[C@H](C)[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711662728 712318618 /nfs/dbraw/zinc/31/86/18/712318618.db2.gz IXRWXAKJUIDQAB-JBLDHEPKSA-N 0 1 211.305 2.114 20 0 BEADMN CSC1(CNCc2nccn2C2CC2)CC1 ZINC000711748105 712324309 /nfs/dbraw/zinc/32/43/09/712324309.db2.gz XDXBXKIIITZZCX-UHFFFAOYSA-N 0 1 237.372 2.203 20 0 BEADMN C[C@H]1CCC[C@H](CNCc2nccn2C2CC2)O1 ZINC000711758120 712325477 /nfs/dbraw/zinc/32/54/77/712325477.db2.gz VHNFDQSRQFCALT-WCQYABFASA-N 0 1 249.358 2.265 20 0 BEADMN CCCCOC(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000378732999 712359888 /nfs/dbraw/zinc/35/98/88/712359888.db2.gz LQSOXVBFJXXOCK-RYUDHWBXSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)CCCN[C@H](C)c1nnnn1C1CC1 ZINC000790529556 712421351 /nfs/dbraw/zinc/42/13/51/712421351.db2.gz DNRWINZCOTUOIO-SNVBAGLBSA-N 0 1 237.351 2.095 20 0 BEADMN CCC[C@H](C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795336430 712424307 /nfs/dbraw/zinc/42/43/07/712424307.db2.gz QXLPXBLGXAHPJO-VIFPVBQESA-N 0 1 239.319 2.408 20 0 BEADMN CCC[C@H](C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795336430 712424308 /nfs/dbraw/zinc/42/43/08/712424308.db2.gz QXLPXBLGXAHPJO-VIFPVBQESA-N 0 1 239.319 2.408 20 0 BEADMN CCc1cc(CC)nc(NC[C@H]2CCN2CC)n1 ZINC000712605148 712436962 /nfs/dbraw/zinc/43/69/62/712436962.db2.gz KNCITDCXENGBBT-CYBMUJFWSA-N 0 1 248.374 2.108 20 0 BEADMN CC(C)n1ncnc1CNCC[C@@H]1C[C@H]1C1CC1 ZINC000712679146 712440691 /nfs/dbraw/zinc/44/06/91/712440691.db2.gz GMHIYOGWWXBYCK-OLZOCXBDSA-N 0 1 248.374 2.385 20 0 BEADMN Cc1nc2ccccc2nc1NC[C@@H]1CCN1C ZINC000712534593 712441974 /nfs/dbraw/zinc/44/19/74/712441974.db2.gz JJJXDDRUWUIQSV-NSHDSACASA-N 0 1 242.326 2.054 20 0 BEADMN CCN1CC[C@H]1CNc1nc(Cl)cs1 ZINC000712563829 712446356 /nfs/dbraw/zinc/44/63/56/712446356.db2.gz SUALJURTTBBRBP-ZETCQYMHSA-N 0 1 231.752 2.303 20 0 BEADMN C[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)CCC1=O ZINC000712837155 712449926 /nfs/dbraw/zinc/44/99/26/712449926.db2.gz LTSLFIMODRUZHR-RTXFEEFZSA-N 0 1 221.344 2.334 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1scnc1Cl ZINC000713498100 712462862 /nfs/dbraw/zinc/46/28/62/712462862.db2.gz ZELUWCDOYITPEM-OIBJUYFYSA-N 0 1 246.763 2.454 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1scnc1Cl ZINC000713498098 712463122 /nfs/dbraw/zinc/46/31/22/712463122.db2.gz ZELUWCDOYITPEM-GMSGAONNSA-N 0 1 246.763 2.454 20 0 BEADMN C=C/C=C\CCNCc1ncnn1C(C)C ZINC000713499802 712463630 /nfs/dbraw/zinc/46/36/30/712463630.db2.gz VKNFLEVGQWAFOF-WAYWQWQTSA-N 0 1 220.320 2.081 20 0 BEADMN C=C/C=C/CC[N@@H+](CC(=O)[O-])[C@H](C)CC ZINC000713704584 712469486 /nfs/dbraw/zinc/46/94/86/712469486.db2.gz VKBUYUIWKYNDQB-XUIVZRPNSA-N 0 1 211.305 2.304 20 0 BEADMN C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000713710743 712470214 /nfs/dbraw/zinc/47/02/14/712470214.db2.gz FFRZNEKUXLQRIK-BCJLQMFYSA-N 0 1 235.327 2.304 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1[nH]nc2c1CCCC2 ZINC000713739441 712470502 /nfs/dbraw/zinc/47/05/02/712470502.db2.gz VAZONHDCGHKVOJ-LLVKDONJSA-N 0 1 247.342 2.207 20 0 BEADMN C=C/C=C\CCN1CCCC[C@@H]1C(=O)OC ZINC000713746312 712471435 /nfs/dbraw/zinc/47/14/35/712471435.db2.gz MOAPLIBOXJKBJQ-QMAVJUDZSA-N 0 1 223.316 2.146 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000036785896 712495478 /nfs/dbraw/zinc/49/54/78/712495478.db2.gz CANSKEFPISRTSL-MRVPVSSYSA-N 0 1 223.272 2.208 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc(F)cc1C(=O)[O-] ZINC000714931608 712500653 /nfs/dbraw/zinc/50/06/53/712500653.db2.gz MGVNZGQKVWUAKL-UHFFFAOYSA-N 0 1 243.253 2.315 20 0 BEADMN Cc1nn(C)c(CN[C@H]2CC23CC3)c1Cl ZINC000715237828 712513660 /nfs/dbraw/zinc/51/36/60/712513660.db2.gz IZOWBGFKSDLXLV-VIFPVBQESA-N 0 1 225.723 2.024 20 0 BEADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cccs1 ZINC000036984171 712525535 /nfs/dbraw/zinc/52/55/35/712525535.db2.gz ZCDFLKMBSWOCSM-ZJUUUORDSA-N 0 1 240.372 2.141 20 0 BEADMN CCCn1cc([C@H](C)NCC[C@@H](C)F)nn1 ZINC000715881296 712539373 /nfs/dbraw/zinc/53/93/73/712539373.db2.gz JDGYJICWXQCLCR-ZJUUUORDSA-N 0 1 228.315 2.087 20 0 BEADMN CCCn1cc([C@@H](C)NC[C@@H](C)SC)nn1 ZINC000715894172 712540818 /nfs/dbraw/zinc/54/08/18/712540818.db2.gz IDFJSOVSPHRTCY-NXEZZACHSA-N 0 1 242.392 2.090 20 0 BEADMN C[C@H](NCc1ccncc1)c1ccns1 ZINC000715955689 712545814 /nfs/dbraw/zinc/54/58/14/712545814.db2.gz RYIFRCPYPUWFGF-VIFPVBQESA-N 0 1 219.313 2.389 20 0 BEADMN Clc1ccc(CNCC2OCCCO2)s1 ZINC000716393640 712558209 /nfs/dbraw/zinc/55/82/09/712558209.db2.gz KQMQJBAMLUEYLM-UHFFFAOYSA-N 0 1 247.747 2.254 20 0 BEADMN Cc1[nH]nc(CNc2cccc(C)n2)c1C ZINC000716449316 712561575 /nfs/dbraw/zinc/56/15/75/712561575.db2.gz ZVEAUZFYGZEIDE-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN Cc1cc(CNc2nc(Cl)cs2)n[nH]1 ZINC000716447915 712561621 /nfs/dbraw/zinc/56/16/21/712561621.db2.gz QILYDJVKNDMEHR-UHFFFAOYSA-N 0 1 228.708 2.440 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000716458986 712562459 /nfs/dbraw/zinc/56/24/59/712562459.db2.gz DNSQXKHDMMJLQN-XFWSIPNHSA-N 0 1 233.315 2.167 20 0 BEADMN Cc1[nH]nc(CN[C@H](C)c2ccccn2)c1C ZINC000716456591 712562558 /nfs/dbraw/zinc/56/25/58/712562558.db2.gz PDMBZAFZTDUJSH-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN Cc1n[nH]c(CN[C@@H](C)c2cncc(F)c2)c1C ZINC000716461655 712562875 /nfs/dbraw/zinc/56/28/75/712562875.db2.gz PFIMCSJUMAVKCU-JTQLQIEISA-N 0 1 248.305 2.411 20 0 BEADMN Cc1[nH]nc(CN[C@@H](C)c2cncc(F)c2)c1C ZINC000716461655 712562876 /nfs/dbraw/zinc/56/28/76/712562876.db2.gz PFIMCSJUMAVKCU-JTQLQIEISA-N 0 1 248.305 2.411 20 0 BEADMN Cc1[nH]nc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1C ZINC000716465325 712563105 /nfs/dbraw/zinc/56/31/05/712563105.db2.gz LDNKAABLYZGDQV-LDYMZIIASA-N 0 1 245.330 2.019 20 0 BEADMN CC(C)n1ncnc1CNC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000716634181 712567976 /nfs/dbraw/zinc/56/79/76/712567976.db2.gz FRYMIVKXILBUDB-VOAKCMCISA-N 0 1 248.374 2.241 20 0 BEADMN Cc1n[nH]c(CNCc2cccs2)c1C ZINC000716674646 712569298 /nfs/dbraw/zinc/56/92/98/712569298.db2.gz HIXFORRVIPJZDG-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN c1cc(CNCC[C@H]2CCC3(CCC3)O2)no1 ZINC000717066403 712627016 /nfs/dbraw/zinc/62/70/16/712627016.db2.gz KOHOFMDHSIDWNC-GFCCVEGCSA-N 0 1 236.315 2.256 20 0 BEADMN C[C@H](O)CCCNCc1nc(Cl)cs1 ZINC000877484293 712631163 /nfs/dbraw/zinc/63/11/63/712631163.db2.gz BGKRCIQCDHCUSL-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN OC[C@H](NC/C(Cl)=C\Cl)C1CCC1 ZINC000717615383 712662257 /nfs/dbraw/zinc/66/22/57/712662257.db2.gz SOKADVAFCYMORN-SGDMMICCSA-N 0 1 224.131 2.056 20 0 BEADMN C[C@@H]1C[C@@H](NC[C@@H]2CCC=CO2)c2nccn21 ZINC000380008667 712669671 /nfs/dbraw/zinc/66/96/71/712669671.db2.gz FVHYYTXHDYSRMR-GRYCIOLGSA-N 0 1 233.315 2.171 20 0 BEADMN CC(C)n1ccc(CNC[C@H]2CCC=CO2)n1 ZINC000380031171 712683512 /nfs/dbraw/zinc/68/35/12/712683512.db2.gz ZRVMHIBVJXUUFF-CYBMUJFWSA-N 0 1 235.331 2.246 20 0 BEADMN CC(C)n1ccc(CNC[C@@H]2CCC=CO2)n1 ZINC000380031172 712683529 /nfs/dbraw/zinc/68/35/29/712683529.db2.gz ZRVMHIBVJXUUFF-ZDUSSCGKSA-N 0 1 235.331 2.246 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000380132596 712691708 /nfs/dbraw/zinc/69/17/08/712691708.db2.gz DUTNYOWUIDCHCR-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN Cc1csc(C[C@@H]2CCN(CCF)C2)n1 ZINC000933130064 712718338 /nfs/dbraw/zinc/71/83/38/712718338.db2.gz OWBFRISVZIOYIO-JTQLQIEISA-N 0 1 228.336 2.285 20 0 BEADMN c1c2ccccc2oc1CN[C@]12C[C@H]1COC2 ZINC000717970083 712736076 /nfs/dbraw/zinc/73/60/76/712736076.db2.gz TXHBVDSMMBHXLI-FZMZJTMJSA-N 0 1 229.279 2.311 20 0 BEADMN Clc1ccccc1CN[C@]12C[C@H]1COC2 ZINC000718040624 712737928 /nfs/dbraw/zinc/73/79/28/712737928.db2.gz DGSIQXBOAXIVHA-JQWIXIFHSA-N 0 1 223.703 2.219 20 0 BEADMN C[C@H]1C[C@H](NCc2cnc(Cl)s2)CO1 ZINC000718214229 712754304 /nfs/dbraw/zinc/75/43/04/712754304.db2.gz VAUFOWBXGNCXTI-BQBZGAKWSA-N 0 1 232.736 2.064 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCC(C)(F)F)C(=O)[O-] ZINC000718631041 712773829 /nfs/dbraw/zinc/77/38/29/712773829.db2.gz UJSWKRSKGPEUJZ-QMMMGPOBSA-N 0 1 223.263 2.074 20 0 BEADMN CC(F)(F)CCC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000718619024 712773833 /nfs/dbraw/zinc/77/38/33/712773833.db2.gz XOVBUAYSAYIBLD-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN CC(C)[N@@H+](CCCC(C)(F)F)CC(=O)[O-] ZINC000718619060 712773979 /nfs/dbraw/zinc/77/39/79/712773979.db2.gz YAUIXXURQXUZAT-UHFFFAOYSA-N 0 1 223.263 2.217 20 0 BEADMN O=C(NCc1cnc[nH]1)[C@H]1CCC=CCCC1 ZINC000719020005 712793774 /nfs/dbraw/zinc/79/37/74/712793774.db2.gz NWYSRBGPWVWWSA-NSHDSACASA-N 0 1 233.315 2.162 20 0 BEADMN C=CCCC[C@@H](C)OC(=O)CCc1nc[nH]n1 ZINC000091119143 712814981 /nfs/dbraw/zinc/81/49/81/712814981.db2.gz DGIJYEVEPJMFGQ-SNVBAGLBSA-N 0 1 237.303 2.025 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccccn2)no1 ZINC000720369192 712836294 /nfs/dbraw/zinc/83/62/94/712836294.db2.gz KGTURGFBVBJELD-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNCc1ccon1 ZINC000720403390 712839623 /nfs/dbraw/zinc/83/96/23/712839623.db2.gz AOLUKSLWLMIRAR-QCZKYFFMSA-N 0 1 206.289 2.056 20 0 BEADMN Cc1cc(CNCC[C@H]2CCSC2)no1 ZINC000720420611 712841442 /nfs/dbraw/zinc/84/14/42/712841442.db2.gz VKTXBGIKXFRSEZ-JTQLQIEISA-N 0 1 226.345 2.216 20 0 BEADMN C[C@@H]1CCN(Cc2cccc(O)c2)CCO1 ZINC000720482347 712846563 /nfs/dbraw/zinc/84/65/63/712846563.db2.gz KQAFCTBCSZQTRH-LLVKDONJSA-N 0 1 221.300 2.003 20 0 BEADMN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cn(C)cn1 ZINC000720889911 712874277 /nfs/dbraw/zinc/87/42/77/712874277.db2.gz AYVJJEHTMMBENG-ZJQBRPOHSA-N 0 1 249.358 2.028 20 0 BEADMN CC1(CNCc2csnn2)CC(F)(F)C1 ZINC000720994680 712886104 /nfs/dbraw/zinc/88/61/04/712886104.db2.gz XQEKMGGFKGCMQO-UHFFFAOYSA-N 0 1 233.287 2.063 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](CCCC3CCC3)C[C@@H]21 ZINC000721145335 712892765 /nfs/dbraw/zinc/89/27/65/712892765.db2.gz DHKGMCGXHWBPMA-FRRDWIJNSA-N 0 1 237.343 2.219 20 0 BEADMN CCO[C@@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000721167679 712894216 /nfs/dbraw/zinc/89/42/16/712894216.db2.gz MJUMTOUJDZPHCS-ZYHUDNBSSA-N 0 1 224.304 2.112 20 0 BEADMN CCCOC1CN(CC[C@@H](C)SC)C1 ZINC001208143724 957014991 /nfs/dbraw/zinc/01/49/91/957014991.db2.gz UBXKKXOPIGRUMJ-SNVBAGLBSA-N 0 1 217.378 2.239 20 0 BEADMN Cc1ccc(F)c(N2C[C@H](C)N(C)C[C@H]2C)n1 ZINC001164633554 719171990 /nfs/dbraw/zinc/17/19/90/719171990.db2.gz HLSFYJWTDBFBHE-WDEREUQCSA-N 0 1 237.322 2.058 20 0 BEADMN CC(C)c1nccc(N2C[C@@H](C)N(C)C[C@H]2C)n1 ZINC000351509410 719207067 /nfs/dbraw/zinc/20/70/67/719207067.db2.gz LNDMLTPEKMRRPU-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN CC(C)c1ccnc(N2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC001164638778 719219217 /nfs/dbraw/zinc/21/92/17/719219217.db2.gz PEAUMQDVZRSYEW-NEPJUHHUSA-N 0 1 248.374 2.129 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])o1 ZINC000042163771 957405218 /nfs/dbraw/zinc/40/52/18/957405218.db2.gz OPNKJSOIPVWUJK-JTQLQIEISA-N 0 1 223.272 2.027 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)[nH]1 ZINC001209570534 957511044 /nfs/dbraw/zinc/51/10/44/957511044.db2.gz PMQHPXGULCRWQF-ZMLRMANQSA-N 0 1 208.280 2.113 20 0 BEADMN CCCC(=O)NC[C@@H]1CCCN1C/C=C/Cl ZINC001266443528 957562278 /nfs/dbraw/zinc/56/22/78/957562278.db2.gz PCUPRIDDTVOSIX-ZPMKCOPCSA-N 0 1 244.766 2.120 20 0 BEADMN C[C@@H]1CCC[C@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000070835381 957699131 /nfs/dbraw/zinc/69/91/31/957699131.db2.gz GIIGRCCGQMFLOO-PSASIEDQSA-N 0 1 220.272 2.380 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](CC1CC1)C(C)C ZINC000082604718 957797598 /nfs/dbraw/zinc/79/75/98/957797598.db2.gz OKGASAVVYLYLNT-UXBLZVDNSA-N 0 1 211.305 2.138 20 0 BEADMN CCC(C)=Nc1ccc(OC)nc1C(=O)OC ZINC001210793305 957889806 /nfs/dbraw/zinc/88/98/06/957889806.db2.gz NDMFALNOWIKVHB-VMPITWQZSA-N 0 1 236.271 2.212 20 0 BEADMN CC=C(C)Nc1cncc(OC)c1C(=O)OC ZINC001210793585 957891548 /nfs/dbraw/zinc/89/15/48/957891548.db2.gz SZYPUPYGJLHMIZ-VMPITWQZSA-N 0 1 236.271 2.212 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612290 957905178 /nfs/dbraw/zinc/90/51/78/957905178.db2.gz DPRXKDYEAOEIRF-DCAQKATOSA-N 0 1 245.388 2.313 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccsc1 ZINC000086258565 957963728 /nfs/dbraw/zinc/96/37/28/957963728.db2.gz UQFQWVMADCIKJA-PSASIEDQSA-N 0 1 225.313 2.043 20 0 BEADMN Cc1ncn(-c2ccc(Cl)nc2Cl)c1N ZINC001211273564 958133980 /nfs/dbraw/zinc/13/39/80/958133980.db2.gz BMOFVQLHTMYUSG-UHFFFAOYSA-N 0 1 243.097 2.465 20 0 BEADMN COC(=O)/C(C)=C/CN1CCC(C(F)F)CC1 ZINC000307879512 958242108 /nfs/dbraw/zinc/24/21/08/958242108.db2.gz XHHUKIUJQZOEID-YCRREMRBSA-N 0 1 247.285 2.083 20 0 BEADMN C/C=C(\CC)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000588567615 959243038 /nfs/dbraw/zinc/24/30/38/959243038.db2.gz RVYJEKRENDBGQJ-XEVNVYFWSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@@H](C)OC1CCN(CCF)CC1 ZINC001204620851 959900989 /nfs/dbraw/zinc/90/09/89/959900989.db2.gz FSWGCKPEZXFTEI-SNVBAGLBSA-N 0 1 203.301 2.235 20 0 BEADMN Cc1ccc(CN(C)Cc2cc[nH]c2)cn1 ZINC001140708202 960518901 /nfs/dbraw/zinc/51/89/01/960518901.db2.gz TUBGRVGNRHQGEM-UHFFFAOYSA-N 0 1 215.300 2.350 20 0 BEADMN Nc1cccc(F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001140876983 960659241 /nfs/dbraw/zinc/65/92/41/960659241.db2.gz SQAJSYHUBVSWDU-RNCFNFMXSA-N 0 1 220.291 2.392 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@](C)(O)C2)s1 ZINC001139809442 961665409 /nfs/dbraw/zinc/66/54/09/961665409.db2.gz XQSUAFPKKKMGIS-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@]1(CF)CCN(Cc2ccc(F)nc2)C1 ZINC001137735066 961821855 /nfs/dbraw/zinc/82/18/55/961821855.db2.gz ALIIICSXDUKBQZ-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC000132734775 962476043 /nfs/dbraw/zinc/47/60/43/962476043.db2.gz AMFXUPILDNKQLR-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001143580757 963170804 /nfs/dbraw/zinc/17/08/04/963170804.db2.gz VELPOHHPGDDQEW-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN CS[C@H]1CC[C@H]([N@@H+](C)CCCC(=O)[O-])C1 ZINC000308840507 963310115 /nfs/dbraw/zinc/31/01/15/963310115.db2.gz JXCXPRCMWLXWQK-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN COc1ccnc(NCCn2cccc2)c1 ZINC001156299765 963308310 /nfs/dbraw/zinc/30/83/10/963308310.db2.gz KDGZMPRARVBRBI-UHFFFAOYSA-N 0 1 217.272 2.004 20 0 BEADMN CC[N@@H+](C/C=C(/C)C(=O)[O-])CC(C)(C)C ZINC000309020510 963321670 /nfs/dbraw/zinc/32/16/70/963321670.db2.gz UJIDFBYYCKKFOU-YFHOEESVSA-N 0 1 213.321 2.385 20 0 BEADMN CC1(C)CC[C@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000309456469 963350904 /nfs/dbraw/zinc/35/09/04/963350904.db2.gz SNQBAERTCHNBSH-SECBINFHSA-N 0 1 220.272 2.380 20 0 BEADMN Cc1cnc(NC2CN(C(C)C)C2)cc1C ZINC001157530534 963642996 /nfs/dbraw/zinc/64/29/96/963642996.db2.gz ZCHLJLGVIHHEEO-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480465 963823572 /nfs/dbraw/zinc/82/35/72/963823572.db2.gz KTAITOHGBNGQCF-RQJHMYQMSA-N 0 1 228.679 2.403 20 0 BEADMN Cc1cc(N(C)C)ncc1NCCOC(C)C ZINC001161788878 964755807 /nfs/dbraw/zinc/75/58/07/964755807.db2.gz YVARDMLUSNRZRE-UHFFFAOYSA-N 0 1 237.347 2.293 20 0 BEADMN CC(C)OCCNc1cccn2cncc12 ZINC001161795054 964761815 /nfs/dbraw/zinc/76/18/15/964761815.db2.gz RPCNMRQXXIRNAD-UHFFFAOYSA-N 0 1 219.288 2.171 20 0 BEADMN Cn1ccc2c1nccc2NCC(F)F ZINC001161817169 964771471 /nfs/dbraw/zinc/77/14/71/964771471.db2.gz GFWBIXOWULSZEU-UHFFFAOYSA-N 0 1 211.215 2.250 20 0 BEADMN Cc1ccnc(NCc2cnn(C)c2)c1C ZINC001161849622 964790382 /nfs/dbraw/zinc/79/03/82/964790382.db2.gz RXADYFMVFXJROU-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1cnsc1 ZINC001232227358 965313383 /nfs/dbraw/zinc/31/33/83/965313383.db2.gz MJNWBXFOJSIZAO-LPEHRKFASA-N 0 1 212.293 2.075 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H]2CCCC[C@H]2C1 ZINC000251522223 965353072 /nfs/dbraw/zinc/35/30/72/965353072.db2.gz AUBSQOORIOZNJT-TUAOUCFPSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1ccc(N2CCOCC(F)(F)C2)nc1C ZINC001163972519 965669394 /nfs/dbraw/zinc/66/93/94/965669394.db2.gz DYKKWQNWGHZNSY-UHFFFAOYSA-N 0 1 242.269 2.170 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2COC[C@@H]2C)cs1 ZINC000699464021 965881835 /nfs/dbraw/zinc/88/18/35/965881835.db2.gz LSALSESQTKYWFQ-OYNCUSHFSA-N 0 1 226.345 2.137 20 0 BEADMN CCCc1ccc(CN2CC[C@@H]2NC)cc1 ZINC001236167848 966284871 /nfs/dbraw/zinc/28/48/71/966284871.db2.gz QTQWLHGQLDGBPG-CQSZACIVSA-N 0 1 218.344 2.390 20 0 BEADMN Cc1cccc([C@@H](O)CN[C@@H](C)c2ncc[nH]2)c1 ZINC000285909320 1165743201 /nfs/dbraw/zinc/74/32/01/1165743201.db2.gz BUAIFPRXGBEJKG-AAEUAGOBSA-N 0 1 245.326 2.102 20 0 BEADMN CC[C@@H](O)CCNCc1csc(C2CC2)n1 ZINC000166137514 1165759338 /nfs/dbraw/zinc/75/93/38/1165759338.db2.gz VXUKEUXRSHJBRN-LLVKDONJSA-N 0 1 240.372 2.271 20 0 BEADMN CCC(=O)N1CCC[C@H]1CN(C)C[C@@H](F)CC ZINC001485045115 966532147 /nfs/dbraw/zinc/53/21/47/966532147.db2.gz MCNCVZQSOLZYFM-RYUDHWBXSA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H](CCN1C[C@@H](O)[C@@H](F)C1)CC(C)(C)C ZINC001208656968 1165762715 /nfs/dbraw/zinc/76/27/15/1165762715.db2.gz ZMZKWXMQLOSPOH-GRYCIOLGSA-N 0 1 231.355 2.463 20 0 BEADMN CC(C)c1nc(CNCC2(O)CCC2)cs1 ZINC000163954966 1165765837 /nfs/dbraw/zinc/76/58/37/1165765837.db2.gz VFDCDCOKLPRTFH-UHFFFAOYSA-N 0 1 240.372 2.271 20 0 BEADMN CCc1cc(C[N@H+]2CC[C@H](OC(C)C)C2)on1 ZINC001203226240 966568607 /nfs/dbraw/zinc/56/86/07/966568607.db2.gz JGTUIHZWJJVZKH-LBPRGKRZSA-N 0 1 238.331 2.236 20 0 BEADMN CCc1cc(CN2CC[C@H](OC(C)C)C2)on1 ZINC001203226240 966568614 /nfs/dbraw/zinc/56/86/14/966568614.db2.gz JGTUIHZWJJVZKH-LBPRGKRZSA-N 0 1 238.331 2.236 20 0 BEADMN CCN(Cc1ccc(Cl)cc1)C1CN(C)C1 ZINC001203922559 966820484 /nfs/dbraw/zinc/82/04/84/966820484.db2.gz WIWMEBBHNPTLGO-UHFFFAOYSA-N 0 1 238.762 2.476 20 0 BEADMN C[C@H]1CN(Cc2ccc[nH]2)CCC1(F)F ZINC001204007875 966849577 /nfs/dbraw/zinc/84/95/77/966849577.db2.gz ROZSEKXEZWKIOI-VIFPVBQESA-N 0 1 214.259 2.492 20 0 BEADMN Cc1ccc(-c2ncnc3c2CNC3)cc1C ZINC000211441332 1165809456 /nfs/dbraw/zinc/80/94/56/1165809456.db2.gz RUVNUQXZPVGNCV-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCOCCc1cccc(CN(C)C)c1F ZINC001249944142 967183152 /nfs/dbraw/zinc/18/31/52/967183152.db2.gz YBHQLJCQPCBRAF-UHFFFAOYSA-N 0 1 225.307 2.466 20 0 BEADMN CS[C@@H](C)CCN1CCC(=O)C[C@H]1C ZINC000253026969 1165835491 /nfs/dbraw/zinc/83/54/91/1165835491.db2.gz NWIHKZGEFSUFSI-ZJUUUORDSA-N 0 1 215.362 2.181 20 0 BEADMN Cc1cnccc1-c1noc(C2(N)CCCC2)n1 ZINC000167469006 1165872532 /nfs/dbraw/zinc/87/25/32/1165872532.db2.gz HKSVEUBRVSZOHQ-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN CCN1CCn2c(-c3ccccc3)cnc2C1 ZINC000147936829 1165899709 /nfs/dbraw/zinc/89/97/09/1165899709.db2.gz QDHQLUDJJSHMRZ-UHFFFAOYSA-N 0 1 227.311 2.386 20 0 BEADMN CSCCc1nc2cc3c(cc2[nH]1)OCC3 ZINC001250426514 967842168 /nfs/dbraw/zinc/84/21/68/967842168.db2.gz HTEWPGCSJZAXPB-UHFFFAOYSA-N 0 1 234.324 2.403 20 0 BEADMN Cc1cc(CN2CCC[C@H](C(F)F)C2)n(C)n1 ZINC001205911691 967883160 /nfs/dbraw/zinc/88/31/60/967883160.db2.gz XAZQNCGYXSQXTO-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN O[C@@H](CNCC1(F)CCCCC1)C(F)(F)F ZINC001250987706 968237480 /nfs/dbraw/zinc/23/74/80/968237480.db2.gz XVLBHSWDKWGHMU-QMMMGPOBSA-N 0 1 243.244 2.172 20 0 BEADMN C[C@@H](N[C@@H]1CCSC1)c1nccs1 ZINC000070634008 1165940348 /nfs/dbraw/zinc/94/03/48/1165940348.db2.gz JXASJEIUWODUSI-HTQZYQBOSA-N 0 1 214.359 2.299 20 0 BEADMN COc1ncc(CN2CCC(C)(C)CC2)cn1 ZINC001206408784 968286969 /nfs/dbraw/zinc/28/69/69/968286969.db2.gz BRIHWFYXEQKVCM-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CCc1cccc(C)c1Nc1nonc1N ZINC001210875818 1165959821 /nfs/dbraw/zinc/95/98/21/1165959821.db2.gz ZEACANWXMDFHJV-UHFFFAOYSA-N 0 1 218.260 2.266 20 0 BEADMN Cc1ccc(F)c(CNC[C@H](C)O)c1Cl ZINC001251968948 968412329 /nfs/dbraw/zinc/41/23/29/968412329.db2.gz MOLZZPOKPUGTFF-QMMMGPOBSA-N 0 1 231.698 2.258 20 0 BEADMN CN(C[C@@H](O)c1ccccc1)C1CC(F)(F)C1 ZINC001251978705 968419681 /nfs/dbraw/zinc/41/96/81/968419681.db2.gz TUKCBINHGNCEPB-GFCCVEGCSA-N 0 1 241.281 2.450 20 0 BEADMN C[C@@H]1CCCN(Cc2ncccc2F)C1 ZINC001207026216 968559840 /nfs/dbraw/zinc/55/98/40/968559840.db2.gz FDIFNILAOUDMBG-SNVBAGLBSA-N 0 1 208.280 2.453 20 0 BEADMN Fc1cccnc1CN1C2CCC1CC2 ZINC001207033071 968565978 /nfs/dbraw/zinc/56/59/78/968565978.db2.gz OYSUTZXXZOETMK-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN Fc1cncc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC001207023194 968556960 /nfs/dbraw/zinc/55/69/60/968556960.db2.gz AXJOCGNBKVPWOA-JOYOIKCWSA-N 0 1 206.264 2.205 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)nc1 ZINC001207043408 968574077 /nfs/dbraw/zinc/57/40/77/968574077.db2.gz VGMGLCAKWJCKGU-UWJYBYFXSA-N 0 1 224.254 2.153 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)nc1 ZINC001207042158 968575279 /nfs/dbraw/zinc/57/52/79/968575279.db2.gz VGMGLCAKWJCKGU-KPXOXKRLSA-N 0 1 224.254 2.153 20 0 BEADMN CC(C)N(C)Cc1ncc2ccccn21 ZINC001207048291 968575317 /nfs/dbraw/zinc/57/53/17/968575317.db2.gz JBDPJXOLUNWVRQ-UHFFFAOYSA-N 0 1 203.289 2.175 20 0 BEADMN CC(C)CNCc1nc(-c2ccoc2)no1 ZINC000069946068 1166053720 /nfs/dbraw/zinc/05/37/20/1166053720.db2.gz CQNMFNYXIMOYBU-UHFFFAOYSA-N 0 1 221.260 2.075 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2cccnc2CN)C1 ZINC000128397485 1166059635 /nfs/dbraw/zinc/05/96/35/1166059635.db2.gz BJUPCWKLAORIBH-NXEZZACHSA-N 0 1 205.305 2.141 20 0 BEADMN CC(C)CN(C)C(=O)c1cnc(C(C)C)[nH]1 ZINC000074249302 1166080647 /nfs/dbraw/zinc/08/06/47/1166080647.db2.gz OLAUJCPERIWXSM-UHFFFAOYSA-N 0 1 223.320 2.261 20 0 BEADMN CC(C)(N)c1nnc(CC2CCCCC2)o1 ZINC000083352961 1166101509 /nfs/dbraw/zinc/10/15/09/1166101509.db2.gz BDDWFWZCRMDSMV-UHFFFAOYSA-N 0 1 223.320 2.386 20 0 BEADMN COc1ccnc(NCc2cccnc2)c1 ZINC000083348203 1166102612 /nfs/dbraw/zinc/10/26/12/1166102612.db2.gz YUGPIEKSLZCJAR-UHFFFAOYSA-N 0 1 215.256 2.097 20 0 BEADMN CCn1nccc1CN[C@H](C)c1ccc[nH]1 ZINC000390572301 1166140606 /nfs/dbraw/zinc/14/06/06/1166140606.db2.gz VIUIFNOOHQDBBZ-SNVBAGLBSA-N 0 1 218.304 2.082 20 0 BEADMN NCc1ncccc1NC1CCCCC1 ZINC000129611322 1166148830 /nfs/dbraw/zinc/14/88/30/1166148830.db2.gz AZLJMKCFTIZVAT-UHFFFAOYSA-N 0 1 205.305 2.285 20 0 BEADMN COc1cccc(-c2cc(N)ccn2)c1OC ZINC000213006544 1166152185 /nfs/dbraw/zinc/15/21/85/1166152185.db2.gz QMJHRNDXQGVQTH-UHFFFAOYSA-N 0 1 230.267 2.348 20 0 BEADMN CS[C@H](C)CCN1CCC(=O)C(C)(C)C1 ZINC001208147893 969066038 /nfs/dbraw/zinc/06/60/38/969066038.db2.gz POPNEXPAUYVTKZ-SNVBAGLBSA-N 0 1 229.389 2.429 20 0 BEADMN c1nc2c(cncc2-c2cscn2)[nH]1 ZINC001241890857 969133552 /nfs/dbraw/zinc/13/35/52/969133552.db2.gz WRXBBHIMCGKPKJ-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN c1nc2cncc(-c3cscn3)c2[nH]1 ZINC001241890857 969133556 /nfs/dbraw/zinc/13/35/56/969133556.db2.gz WRXBBHIMCGKPKJ-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN O[C@H](CNC1(CF)CC1)c1ccc(F)c(F)c1 ZINC001253343979 969136183 /nfs/dbraw/zinc/13/61/83/969136183.db2.gz QULMCWCRFAUNIL-LLVKDONJSA-N 0 1 245.244 2.090 20 0 BEADMN CCCCC[C@@H](O)CN1CCOC(C)(C)C1 ZINC001253518445 969195574 /nfs/dbraw/zinc/19/55/74/969195574.db2.gz KWNRQDHPYUBQEZ-GFCCVEGCSA-N 0 1 229.364 2.038 20 0 BEADMN CCCCC[C@H](O)CN1CCCC[C@@H]1C(C)=O ZINC001253539740 969212303 /nfs/dbraw/zinc/21/23/03/969212303.db2.gz ZDNJYPIKCNABRL-UONOGXRCSA-N 0 1 241.375 2.371 20 0 BEADMN CO[C@@H]1CN(CCCC(C)C)C[C@@H]1F ZINC001208734459 969223761 /nfs/dbraw/zinc/22/37/61/969223761.db2.gz ZFEPXXITRBBZFJ-WDEREUQCSA-N 0 1 203.301 2.091 20 0 BEADMN COC[C@H](NCC1(OC)CCC1)c1ccco1 ZINC000450723503 1166299974 /nfs/dbraw/zinc/29/99/74/1166299974.db2.gz DBYSRTWXQOMRLE-NSHDSACASA-N 0 1 239.315 2.126 20 0 BEADMN C[C@H](CN1CC2(C1)CCCOC2)C(F)(F)F ZINC001208895264 969283067 /nfs/dbraw/zinc/28/30/67/969283067.db2.gz GXPKYOYANPXVOA-SECBINFHSA-N 0 1 237.265 2.297 20 0 BEADMN COC(=O)[C@@H]1CCN1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000708248698 1166349078 /nfs/dbraw/zinc/34/90/78/1166349078.db2.gz AYCUAZQSVHVFKT-WOPDTQHZSA-N 0 1 239.359 2.449 20 0 BEADMN CC(C)[C@@H](O)CN(C)Cc1cccc(F)c1F ZINC001253768374 969388899 /nfs/dbraw/zinc/38/88/99/969388899.db2.gz UGYGKUZNZBSYRZ-LBPRGKRZSA-N 0 1 243.297 2.414 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CCSCC1 ZINC000306605906 1166392189 /nfs/dbraw/zinc/39/21/89/1166392189.db2.gz QLKBWEJZMIJXJX-ZETCQYMHSA-N 0 1 213.268 2.376 20 0 BEADMN Clc1ccccc1-c1ncc2c(n1)CNC2 ZINC000132307127 1166405744 /nfs/dbraw/zinc/40/57/44/1166405744.db2.gz PGHFUHBJWXEYCX-UHFFFAOYSA-N 0 1 231.686 2.400 20 0 BEADMN Cn1cc(Cl)c(CNCC2CC(F)(F)C2)n1 ZINC000393330028 1166410153 /nfs/dbraw/zinc/41/01/53/1166410153.db2.gz GAIVRPPXUQXWRX-UHFFFAOYSA-N 0 1 249.692 2.208 20 0 BEADMN Cc1ncc(CN2CC[C@H](C(F)(F)F)C2)[nH]1 ZINC000724776058 1166410374 /nfs/dbraw/zinc/41/03/74/1166410374.db2.gz UXFACHRTVRZEFS-QMMMGPOBSA-N 0 1 233.237 2.102 20 0 BEADMN COC1CCC(CN2CCC(=O)C[C@H]2C)CC1 ZINC001209397372 969465931 /nfs/dbraw/zinc/46/59/31/969465931.db2.gz SRPRQTNTFLOKHP-LKSINWNRSA-N 0 1 239.359 2.245 20 0 BEADMN CC(C)OC(=O)CN1CC[C@H]2CCCC[C@H]2C1 ZINC000250581250 1166411465 /nfs/dbraw/zinc/41/14/65/1166411465.db2.gz JBNJGKBXQDYDFL-OLZOCXBDSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)[C@@H]1CCN1C1C[C@@H](C)C[C@H](C)C1 ZINC000252766623 1166425725 /nfs/dbraw/zinc/42/57/25/1166425725.db2.gz HLYGVNOBRHWNOA-NHCYSSNCSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1[nH]ncc1CN1CC(F)(F)C[C@@]1(C)CF ZINC001209554404 969536615 /nfs/dbraw/zinc/53/66/15/969536615.db2.gz HHAMASIUXWEFTI-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN Cc1n[nH]cc1CN1CCCC[C@](C)(F)C1 ZINC001209555304 969541924 /nfs/dbraw/zinc/54/19/24/969541924.db2.gz ZVUZMMCJZJYJHJ-LBPRGKRZSA-N 0 1 225.311 2.432 20 0 BEADMN c1cc(CN2CC[C@H]3CCC[C@@H]3C2)no1 ZINC001209559176 969545572 /nfs/dbraw/zinc/54/55/72/969545572.db2.gz COPJGNGFVPVART-GHMZBOCLSA-N 0 1 206.289 2.297 20 0 BEADMN CS[C@H]1CCC[C@H](NCc2nonc2C)C1 ZINC000235216262 1166443902 /nfs/dbraw/zinc/44/39/02/1166443902.db2.gz VJNANYOYAVYAEH-UWVGGRQHSA-N 0 1 241.360 2.142 20 0 BEADMN CSCCCCNCc1nn(C)cc1Cl ZINC000393477326 1166451314 /nfs/dbraw/zinc/45/13/14/1166451314.db2.gz BPQHRFJCBHQNQU-UHFFFAOYSA-N 0 1 247.795 2.306 20 0 BEADMN Cc1ncn(-c2cccc(Cl)c2O)c1N ZINC001210220172 969834819 /nfs/dbraw/zinc/83/48/19/969834819.db2.gz OKZNFACCZLNUBG-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN CCc1nocc1CNC/C=C/C1CC1 ZINC000378669278 1166549690 /nfs/dbraw/zinc/54/96/90/1166549690.db2.gz CEXDJMDOXWMRNV-ONEGZZNKSA-N 0 1 206.289 2.293 20 0 BEADMN CCOC(=O)C[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000708945872 1166587889 /nfs/dbraw/zinc/58/78/89/1166587889.db2.gz NBTAXQPHMTYZLK-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCCC(C)(C)C1 ZINC000708945872 1166587896 /nfs/dbraw/zinc/58/78/96/1166587896.db2.gz NBTAXQPHMTYZLK-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCCC[C@H](C)N1CCn2cncc2C1 ZINC001255330323 970113130 /nfs/dbraw/zinc/11/31/30/970113130.db2.gz SPENIMXBSMDYLI-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN COc1cnccc1Nc1cccnc1Cl ZINC001211258263 970202779 /nfs/dbraw/zinc/20/27/79/970202779.db2.gz WMOXLXNRSXFOED-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN Cc1nn(C)c(CNC/C=C/C2CC2)c1Cl ZINC000379238952 1166683842 /nfs/dbraw/zinc/68/38/42/1166683842.db2.gz VFLWDPPRMJAEPS-ONEGZZNKSA-N 0 1 239.750 2.438 20 0 BEADMN COc1ncc(CNC/C=C\C2CC2)s1 ZINC000379303147 1166706723 /nfs/dbraw/zinc/70/67/23/1166706723.db2.gz QOWYLACDBCMQHT-IHWYPQMZSA-N 0 1 224.329 2.208 20 0 BEADMN C[C@@H](CC(F)(F)F)N[C@H](CO)c1cccnc1 ZINC001255645023 970421270 /nfs/dbraw/zinc/42/12/70/970421270.db2.gz YSMPLAMOCQUBNW-WCBMZHEXSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@H](CC(F)(F)F)N(C)[C@@H]1CCOC1 ZINC001255657408 970438287 /nfs/dbraw/zinc/43/82/87/970438287.db2.gz GWFUSXXPCNNQQJ-HTQZYQBOSA-N 0 1 211.227 2.048 20 0 BEADMN Cc1ccc(F)cc1NCc1cnc[nH]1 ZINC000054763320 1166756174 /nfs/dbraw/zinc/75/61/74/1166756174.db2.gz POICDYATWNJUAS-UHFFFAOYSA-N 0 1 205.236 2.469 20 0 BEADMN COc1ccc2nc(-c3ccc(N)nc3)[nH]c2c1 ZINC000086568332 1166762694 /nfs/dbraw/zinc/76/26/94/1166762694.db2.gz ROIJRHGHCQWKQY-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CC(=O)CCN(C)Cc1cc(F)cc(F)c1 ZINC001255937014 970566982 /nfs/dbraw/zinc/56/69/82/970566982.db2.gz CFSDDLGIOUDMFG-UHFFFAOYSA-N 0 1 227.254 2.376 20 0 BEADMN CC(C)CC[C@@H](C)Nc1ccnc(N)n1 ZINC000087830492 1166863050 /nfs/dbraw/zinc/86/30/50/1166863050.db2.gz HWXNNOKJGCWHNY-SECBINFHSA-N 0 1 208.309 2.295 20 0 BEADMN N=CNc1ccc(OC(F)F)cc1F ZINC001167868689 1166873905 /nfs/dbraw/zinc/87/39/05/1166873905.db2.gz MLHWAFMTWPSOPR-UHFFFAOYSA-N 0 1 204.151 2.446 20 0 BEADMN CN(Cc1nccs1)CC1CCC(O)CC1 ZINC000381665638 1166959895 /nfs/dbraw/zinc/95/98/95/1166959895.db2.gz VLGRAHVKOZMSHX-UHFFFAOYSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@@H]1CCc2[nH]n(C3CCC3)c(=O)c2C1 ZINC001332278983 975040276 /nfs/dbraw/zinc/04/02/76/975040276.db2.gz SZCJPXJSPBPVDS-SCZZXKLOSA-N 0 1 206.289 2.173 20 0 BEADMN Cc1nocc1CNc1ncnc2ccsc21 ZINC000397959245 1167035571 /nfs/dbraw/zinc/03/55/71/1167035571.db2.gz UDDOWPRMSAIICP-UHFFFAOYSA-N 0 1 246.295 2.022 20 0 BEADMN CCSC[C@@H](C)N1CCn2c(cnc2C)C1 ZINC001173302090 975200728 /nfs/dbraw/zinc/20/07/28/975200728.db2.gz OHDYNUYKJBHNPQ-SNVBAGLBSA-N 0 1 239.388 2.149 20 0 BEADMN CCSC[C@@H](C)N(C)Cc1cncnc1 ZINC001173307477 975217676 /nfs/dbraw/zinc/21/76/76/975217676.db2.gz GSFIPOVEFBGLEP-SNVBAGLBSA-N 0 1 225.361 2.050 20 0 BEADMN CC(C)c1nc(CNC[C@H]2CCN2C)cs1 ZINC000712585293 1167052224 /nfs/dbraw/zinc/05/22/24/1167052224.db2.gz FGOFVCNXBSHYOJ-LLVKDONJSA-N 0 1 239.388 2.060 20 0 BEADMN CC[C@@H]1CC[C@H](N2Cc3cnn(C)c3C2)C1 ZINC001173289794 975257460 /nfs/dbraw/zinc/25/74/60/975257460.db2.gz USKVAFZAZCZLMX-PWSUYJOCSA-N 0 1 219.332 2.314 20 0 BEADMN CC[C@H](CO)N1CCc2ccc(Cl)cc2C1 ZINC001332699840 975262306 /nfs/dbraw/zinc/26/23/06/975262306.db2.gz VZKWGEKCKQNFIV-CYBMUJFWSA-N 0 1 239.746 2.469 20 0 BEADMN CCN(CC(=O)OC(C)C)C(C)(C)C ZINC000382325782 1167096705 /nfs/dbraw/zinc/09/67/05/1167096705.db2.gz XFSZGTKUWDVQKA-UHFFFAOYSA-N 0 1 201.310 2.058 20 0 BEADMN Cc1ncc(CCNCc2nccs2)s1 ZINC000382378146 1167098207 /nfs/dbraw/zinc/09/82/07/1167098207.db2.gz JMUCBINBPVPFML-UHFFFAOYSA-N 0 1 239.369 2.240 20 0 BEADMN C[C@H](NC/C=C/C1CC1)c1nccn1C ZINC000382411473 1167101476 /nfs/dbraw/zinc/10/14/76/1167101476.db2.gz URZCIQLPAAICPF-FSIBCCDJSA-N 0 1 205.305 2.037 20 0 BEADMN CCn1nc(C)c([C@H](C)N[C@@H]2CC[C@H]2C)n1 ZINC001332891331 975311272 /nfs/dbraw/zinc/31/12/72/975311272.db2.gz ARSBRRMXWWSPCP-WCABBAIRSA-N 0 1 222.336 2.056 20 0 BEADMN COc1ccccc1CN1CC([C@@H](C)OC)C1 ZINC001203438390 1167154285 /nfs/dbraw/zinc/15/42/85/1167154285.db2.gz CTYRYVOYRNJKJB-LLVKDONJSA-N 0 1 235.327 2.162 20 0 BEADMN C=C/C=C\CCN(CC(=O)OC)CC(C)C ZINC001333018394 975373876 /nfs/dbraw/zinc/37/38/76/975373876.db2.gz AXZSCVCEGPGVAB-SREVYHEPSA-N 0 1 225.332 2.250 20 0 BEADMN C[C@H]1COCC[C@@H]1Oc1ccc2nc[nH]c2c1 ZINC001226929188 1167196197 /nfs/dbraw/zinc/19/61/97/1167196197.db2.gz BDKRAKGWQHDYJX-ZANVPECISA-N 0 1 232.283 2.367 20 0 BEADMN Cc1nn(C)c(CNCCC(F)F)c1Cl ZINC000308865635 1167210605 /nfs/dbraw/zinc/21/06/05/1167210605.db2.gz WSLBVNYQFNNOHC-UHFFFAOYSA-N 0 1 237.681 2.127 20 0 BEADMN COc1ccc(C[C@@H](C)N(C)CC(C)=O)cc1 ZINC001333390891 975737508 /nfs/dbraw/zinc/73/75/08/975737508.db2.gz BAAOLMLMDKRURH-LLVKDONJSA-N 0 1 235.327 2.147 20 0 BEADMN CCC(C)(C)C(=O)CSc1nnc(C)[nH]1 ZINC000308993775 1167233429 /nfs/dbraw/zinc/23/34/29/1167233429.db2.gz JBXCQPBTCGESBW-UHFFFAOYSA-N 0 1 227.333 2.211 20 0 BEADMN CCC(C)(C)C(=O)CSc1nc(C)n[nH]1 ZINC000308993775 1167233436 /nfs/dbraw/zinc/23/34/36/1167233436.db2.gz JBXCQPBTCGESBW-UHFFFAOYSA-N 0 1 227.333 2.211 20 0 BEADMN CC(C)CC1CCN(Cc2nnc[nH]2)CC1 ZINC001333585627 975871807 /nfs/dbraw/zinc/87/18/07/975871807.db2.gz DUTGSJLIOHVRFF-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN Cc1cc(CNc2ccc(C)nc2)n[nH]1 ZINC000309167853 1167260110 /nfs/dbraw/zinc/26/01/10/1167260110.db2.gz JVTIDFWYYULCJX-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN CC[C@@H](C)[N@@H+](CCO)Cc1ccc([O-])c(F)c1 ZINC001333777817 976072051 /nfs/dbraw/zinc/07/20/51/976072051.db2.gz XHEZCAUAMLKPPG-SNVBAGLBSA-N 0 1 241.306 2.124 20 0 BEADMN CCN1CC[C@H](Oc2cc(Cl)cnc2F)C1 ZINC001228573255 976334152 /nfs/dbraw/zinc/33/41/52/976334152.db2.gz RVDZPKHSLZVXGU-VIFPVBQESA-N 0 1 244.697 2.347 20 0 BEADMN CN1CCC[C@@H](Oc2ccnc(Cl)c2F)C1 ZINC001228577229 976343581 /nfs/dbraw/zinc/34/35/81/976343581.db2.gz LUHPBWHLGGVNAK-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN Nc1cccc(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000227142634 1167392268 /nfs/dbraw/zinc/39/22/68/1167392268.db2.gz DJCCSNZPTDHEGK-KGLIPLIRSA-N 0 1 232.327 2.022 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC000721535167 977091141 /nfs/dbraw/zinc/09/11/41/977091141.db2.gz YMZKYODBSUEFOT-RQJHMYQMSA-N 0 1 228.679 2.403 20 0 BEADMN CCc1csc([C@H](C)NCC2(O)CCC2)n1 ZINC001335514748 977108470 /nfs/dbraw/zinc/10/84/70/977108470.db2.gz RDSFQJJEUAYMSI-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN C[C@@H](Cc1ccc(Cl)cc1)N1CC(C)(O)C1 ZINC001168169097 1167417462 /nfs/dbraw/zinc/41/74/62/1167417462.db2.gz DDJBOYZTPLTSNV-JTQLQIEISA-N 0 1 239.746 2.338 20 0 BEADMN COC(=O)c1c[nH]c(O[C@@H]2CCCC[C@@H]2C)n1 ZINC001230280551 977155631 /nfs/dbraw/zinc/15/56/31/977155631.db2.gz VFGLYAOXCCEMBH-WCBMZHEXSA-N 0 1 238.287 2.154 20 0 BEADMN Cc1cc(CNCC[C@@H]2CC2(F)F)no1 ZINC000691572762 977180357 /nfs/dbraw/zinc/18/03/57/977180357.db2.gz YIMQOZKSLMEFOQ-MRVPVSSYSA-N 0 1 216.231 2.118 20 0 BEADMN COC[C@@H](C)n1[nH]c(C2CCCCC2)cc1=O ZINC001335839415 977316644 /nfs/dbraw/zinc/31/66/44/977316644.db2.gz ZIXXNWFOAHHOQN-SNVBAGLBSA-N 0 1 238.331 2.190 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000152192439 1167500282 /nfs/dbraw/zinc/50/02/82/1167500282.db2.gz SNNWQVDMXIRZPW-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721255795 1167538079 /nfs/dbraw/zinc/53/80/79/1167538079.db2.gz PPXGGBQYXPXJIT-CABNGKKXSA-N 0 1 245.322 2.400 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCO[C@@H](C)C2)s1 ZINC000381334935 1167545891 /nfs/dbraw/zinc/54/58/91/1167545891.db2.gz VKKXOHRXTJVSRX-OYNCUSHFSA-N 0 1 241.360 2.065 20 0 BEADMN CC[C@H](C)N(C)Cc1cc(F)cnc1OC ZINC001231739945 977729889 /nfs/dbraw/zinc/72/98/89/977729889.db2.gz MXSYHMKIPNYZIJ-VIFPVBQESA-N 0 1 226.295 2.460 20 0 BEADMN CCN(Cc1ncsc1C)C1CCOCC1 ZINC001232203699 977924046 /nfs/dbraw/zinc/92/40/46/977924046.db2.gz HLBHFWUOYAUTKN-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN c1nscc1CN1CCC[C@]2(CCOC2)C1 ZINC001232226122 977956118 /nfs/dbraw/zinc/95/61/18/977956118.db2.gz NIRPLUIUWNIXFG-LBPRGKRZSA-N 0 1 238.356 2.146 20 0 BEADMN CC(C)c1nc(CN[C@H](CO)C(C)C)cs1 ZINC000165454821 1167640500 /nfs/dbraw/zinc/64/05/00/1167640500.db2.gz VTKCDUMKSKNWEO-LLVKDONJSA-N 0 1 242.388 2.373 20 0 BEADMN CC[N@@H+](Cc1cccc(COC)n1)C1CC1 ZINC001232251550 977982913 /nfs/dbraw/zinc/98/29/13/977982913.db2.gz XWIZNWMPAIWGLX-UHFFFAOYSA-N 0 1 220.316 2.212 20 0 BEADMN Cc1nc(Br)ccc1CN(C)C ZINC001232321921 978005206 /nfs/dbraw/zinc/00/52/06/978005206.db2.gz XMEZZCFTBGPRPU-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN Cc1ncc(CN2CCCC[C@@H](F)C2)[nH]1 ZINC001232461224 978093673 /nfs/dbraw/zinc/09/36/73/978093673.db2.gz YZRRYHIZHZGZBR-SNVBAGLBSA-N 0 1 211.284 2.042 20 0 BEADMN c1nscc1CN1CC[C@]2(C1)CCCOC2 ZINC001232229987 1167677736 /nfs/dbraw/zinc/67/77/36/1167677736.db2.gz BMORMPUXKGTTCB-LBPRGKRZSA-N 0 1 238.356 2.146 20 0 BEADMN c1nscc1CN1CC[C@@]2(C1)CCCOC2 ZINC001232229985 1167678012 /nfs/dbraw/zinc/67/80/12/1167678012.db2.gz BMORMPUXKGTTCB-GFCCVEGCSA-N 0 1 238.356 2.146 20 0 BEADMN Fc1ccc2c(c1)CC[C@@H](N1CCOCC1)C2 ZINC001168419898 1167688531 /nfs/dbraw/zinc/68/85/31/1167688531.db2.gz FOIXEHJJFKYRHZ-CQSZACIVSA-N 0 1 235.302 2.015 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCCOC3)cc1O ZINC001233228376 1167709729 /nfs/dbraw/zinc/70/97/29/1167709729.db2.gz AAQGLRCSOJVJQW-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN CC(C)OC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000402609658 1167717762 /nfs/dbraw/zinc/71/77/62/1167717762.db2.gz TULGEDVUNYSHQR-GFCCVEGCSA-N 0 1 225.332 2.226 20 0 BEADMN CC1(C)C[C@H](CNc2cccn3cncc23)O1 ZINC001168461196 1167752131 /nfs/dbraw/zinc/75/21/31/1167752131.db2.gz RMAMICDIQJPUER-SNVBAGLBSA-N 0 1 231.299 2.314 20 0 BEADMN C[C@H](Cc1cccc(F)c1)N1CC2(CC(O)C2)C1 ZINC001168475757 1167766698 /nfs/dbraw/zinc/76/66/98/1167766698.db2.gz PCXODZJEYZAAPN-LLVKDONJSA-N 0 1 249.329 2.213 20 0 BEADMN Cc1cc(CN2CCCC3(COC3)C2)sn1 ZINC001233309931 978533105 /nfs/dbraw/zinc/53/31/05/978533105.db2.gz ITCHUIBBSUJZTI-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(Cl)o1 ZINC001233317172 978546214 /nfs/dbraw/zinc/54/62/14/978546214.db2.gz ASDPCQLTZQHKOB-UWVGGRQHSA-N 0 1 240.734 2.211 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233587860 978632688 /nfs/dbraw/zinc/63/26/88/978632688.db2.gz DPSUWFUIHCZREI-POYBYMJQSA-N 0 1 228.679 2.403 20 0 BEADMN CC(C)[C@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233587629 978634539 /nfs/dbraw/zinc/63/45/39/978634539.db2.gz VIOCTGRGDUBSNO-LURJTMIESA-N 0 1 216.668 2.259 20 0 BEADMN O[C@H](CNCCF)c1ccc(F)cc1Cl ZINC001338450322 978686433 /nfs/dbraw/zinc/68/64/33/978686433.db2.gz VECSOUDMFQIIDZ-SNVBAGLBSA-N 0 1 235.661 2.072 20 0 BEADMN CCCCC(=O)NCCCN(C)C/C=C/Cl ZINC001234052878 978764823 /nfs/dbraw/zinc/76/48/23/978764823.db2.gz OKLBTLHMSANGSQ-VMPITWQZSA-N 0 1 246.782 2.367 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccc(F)nc2)C1 ZINC001339604981 978877852 /nfs/dbraw/zinc/87/78/52/978877852.db2.gz XVDAKVNLKAYJSP-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Oc1cncc(-c2cc(N3CCCC3)ccn2)c1 ZINC001236572765 1168230172 /nfs/dbraw/zinc/23/01/72/1168230172.db2.gz AASQCIBTZLUYCJ-UHFFFAOYSA-N 0 1 241.294 2.449 20 0 BEADMN CC(C)c1nnc(CNC2CC(C(F)F)C2)[nH]1 ZINC001181995204 979399917 /nfs/dbraw/zinc/39/99/17/979399917.db2.gz DIQNZTGXRMACNO-UHFFFAOYSA-N 0 1 244.289 2.061 20 0 BEADMN Cc1nnc([C@H](C)NC2CCSCC2)s1 ZINC000135010803 1168259304 /nfs/dbraw/zinc/25/93/04/1168259304.db2.gz SFKRMDFTJFXELF-ZETCQYMHSA-N 0 1 243.401 2.393 20 0 BEADMN CSc1ccc(Cl)cc1CN(C)CCO ZINC001236259216 979480915 /nfs/dbraw/zinc/48/09/15/979480915.db2.gz QRFWEKOTAMLQMN-UHFFFAOYSA-N 0 1 245.775 2.486 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001603752881 979515860 /nfs/dbraw/zinc/51/58/60/979515860.db2.gz DVNSJIKNENHYEB-UTLUCORTSA-N 0 1 247.285 2.073 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1[C@H](C(=O)[O-])C1(F)F)C(C)(C)C ZINC001604254936 979607832 /nfs/dbraw/zinc/60/78/32/979607832.db2.gz UAPWXFLZQQQDLO-XHNCKOQMSA-N 0 1 249.301 2.319 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CCN1C(C)C ZINC001182869628 979663959 /nfs/dbraw/zinc/66/39/59/979663959.db2.gz MXIKOICYBGAUEE-UPJWGTAASA-N 0 1 240.391 2.410 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN1C(C)C ZINC001182869627 979667210 /nfs/dbraw/zinc/66/72/10/979667210.db2.gz MXIKOICYBGAUEE-AVGNSLFASA-N 0 1 240.391 2.410 20 0 BEADMN Cc1cc(=O)n(Cc2ccc(F)cc2)[nH]1 ZINC000116605333 1168309706 /nfs/dbraw/zinc/30/97/06/1168309706.db2.gz CUXGGCUFDFDYTC-UHFFFAOYSA-N 0 1 206.220 2.085 20 0 BEADMN CC(C)(C)c1cc(=O)n(-c2ccncc2)[nH]1 ZINC000116603988 1168309335 /nfs/dbraw/zinc/30/93/35/1168309335.db2.gz ZYHJZDNBXULVRQ-UHFFFAOYSA-N 0 1 217.272 2.270 20 0 BEADMN CCCCN1CCN(C(=O)CCC2CC2)CC1 ZINC001687469581 1168309540 /nfs/dbraw/zinc/30/95/40/1168309540.db2.gz IIQQHBAWQKWOTH-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CC(C)(C)c1ccc(NC[C@@H]2COCCN2)cc1 ZINC000214193623 1168332766 /nfs/dbraw/zinc/33/27/66/1168332766.db2.gz SJGKZYGLNBMTOA-CQSZACIVSA-N 0 1 248.370 2.384 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CCCCCF ZINC001605004478 979794177 /nfs/dbraw/zinc/79/41/77/979794177.db2.gz WMUYKUAUQIWWHQ-GHMZBOCLSA-N 0 1 231.311 2.454 20 0 BEADMN CCC[N@@H+](CC1CC1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001605313811 979855597 /nfs/dbraw/zinc/85/55/97/979855597.db2.gz MTWQIXHIBKEICN-NXEZZACHSA-N 0 1 247.285 2.074 20 0 BEADMN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)[C@@H](C)CO1 ZINC000252445328 1168363707 /nfs/dbraw/zinc/36/37/07/1168363707.db2.gz YAWNDFHVKXSODO-GUTXKFCHSA-N 0 1 249.354 2.003 20 0 BEADMN CC(C)(CC1CCC1)C(=O)NCc1cnc[nH]1 ZINC001183893495 979898971 /nfs/dbraw/zinc/89/89/71/979898971.db2.gz MRUJZDCYEUUKJI-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC[C@H](F)C2)CCC1 ZINC001605951697 979934419 /nfs/dbraw/zinc/93/44/19/979934419.db2.gz ZGARQPFHFJFUOW-JTQLQIEISA-N 0 1 229.295 2.065 20 0 BEADMN Cc1coc(C[N@@H+](C)C[C@@H]2CC2(C)C)n1 ZINC001237649674 980006123 /nfs/dbraw/zinc/00/61/23/980006123.db2.gz QJHKPNZNFWZYCG-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN Cc1coc(CN(C)C[C@@H]2CC2(C)C)n1 ZINC001237649674 980006128 /nfs/dbraw/zinc/00/61/28/980006128.db2.gz QJHKPNZNFWZYCG-JTQLQIEISA-N 0 1 208.305 2.461 20 0 BEADMN CCc1n[nH]cc1CN1CCC[C@@H](C(F)F)C1 ZINC001237651845 980014314 /nfs/dbraw/zinc/01/43/14/980014314.db2.gz ZQTUHJYBUYHYBT-SECBINFHSA-N 0 1 243.301 2.449 20 0 BEADMN CN(Cc1c(N)ccnc1F)C1CCCC1 ZINC001238152938 980177873 /nfs/dbraw/zinc/17/78/73/980177873.db2.gz FEGHXMCJSIGZHR-UHFFFAOYSA-N 0 1 223.295 2.177 20 0 BEADMN CC[C@H](C)N(C)Cc1c(N)ccnc1F ZINC001238155301 980181110 /nfs/dbraw/zinc/18/11/10/980181110.db2.gz NLJDIWJVKBIRIG-QMMMGPOBSA-N 0 1 211.284 2.033 20 0 BEADMN Cc1nnc(S[C@H](C)c2cnc(C)cn2)[nH]1 ZINC001343743990 980232260 /nfs/dbraw/zinc/23/22/60/980232260.db2.gz UYZSTCHEGRCBIO-SSDOTTSWSA-N 0 1 235.316 2.065 20 0 BEADMN Cc1n[nH]c(S[C@H](C)c2cnc(C)cn2)n1 ZINC001343743990 980232264 /nfs/dbraw/zinc/23/22/64/980232264.db2.gz UYZSTCHEGRCBIO-SSDOTTSWSA-N 0 1 235.316 2.065 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)OCC(C)(C)C ZINC001239333344 980542036 /nfs/dbraw/zinc/54/20/36/980542036.db2.gz REFJYQYCZBTDGI-NSHDSACASA-N 0 1 242.363 2.099 20 0 BEADMN CCCC[C@H](CC)COC(=O)N1CCNC1 ZINC001239339096 980547084 /nfs/dbraw/zinc/54/70/84/980547084.db2.gz LZMQNAXZDNAQGN-NSHDSACASA-N 0 1 228.336 2.202 20 0 BEADMN CN[C@@H]1CCN1c1cc(Cl)nc2ncccc12 ZINC001156645723 1168504183 /nfs/dbraw/zinc/50/41/83/1168504183.db2.gz BGYKKOCUDCAKPC-NSHDSACASA-N 0 1 248.717 2.039 20 0 BEADMN CC1(C(=O)OCc2nc[nH]c2C(F)(F)F)CC1 ZINC001345240390 980588585 /nfs/dbraw/zinc/58/85/85/980588585.db2.gz QKOUFIBVBRDLTC-UHFFFAOYSA-N 0 1 248.204 2.272 20 0 BEADMN C[C@H]1[C@@H](O)CCN1Cc1nsc2ccccc21 ZINC001170324062 1168529306 /nfs/dbraw/zinc/52/93/06/1168529306.db2.gz LJJQVSPSFVAEGU-CABZTGNLSA-N 0 1 248.351 2.251 20 0 BEADMN OCc1ccc(-c2nccc3[nH]cnc32)c(F)c1 ZINC001244907748 1168570183 /nfs/dbraw/zinc/57/01/83/1168570183.db2.gz TYGPZUXRNKMGSZ-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001595468374 981161778 /nfs/dbraw/zinc/16/17/78/981161778.db2.gz UONANVBHWTUQAG-VIFPVBQESA-N 0 1 225.313 2.431 20 0 BEADMN Cc1cc(-c2noc(C3CN(C)C3)n2)ccc1F ZINC001247375372 1168664543 /nfs/dbraw/zinc/66/45/43/1168664543.db2.gz ZUDDFYZIJLHRLJ-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN CC1(C)CCC[C@H](C[N@H+]2CC[C@]23CCOC3)O1 ZINC001349647000 981607500 /nfs/dbraw/zinc/60/75/00/981607500.db2.gz QQNSSHIJRILTKO-TZMCWYRMSA-N 0 1 239.359 2.199 20 0 BEADMN Cc1cc(F)cc(CN2CCCOCC2)c1 ZINC000148869542 1168706670 /nfs/dbraw/zinc/70/66/70/1168706670.db2.gz MPBMKYFLNRWCGD-UHFFFAOYSA-N 0 1 223.291 2.356 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)CCSC ZINC001595628476 981786596 /nfs/dbraw/zinc/78/65/96/981786596.db2.gz AHNMOSUSAKMAPQ-SNVBAGLBSA-N 0 1 233.377 2.315 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001594805336 981907746 /nfs/dbraw/zinc/90/77/46/981907746.db2.gz ZEDVSWSWXSXMGQ-YUMQZZPRSA-N 0 1 235.274 2.073 20 0 BEADMN C(=CC1CC1)CN[C@H]1CCCc2c[nH]nc21 ZINC001351283183 982270617 /nfs/dbraw/zinc/27/06/17/982270617.db2.gz HPFYXKFQWJLNMW-JDGPPOGSSA-N 0 1 217.316 2.343 20 0 BEADMN c1ncc(-c2ccc3nn[nH]c3c2)s1 ZINC001241498512 982655907 /nfs/dbraw/zinc/65/59/07/982655907.db2.gz PGEPDPKUGQEGMQ-UHFFFAOYSA-N 0 1 202.242 2.081 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CCC(=O)[O-] ZINC001589256888 982681542 /nfs/dbraw/zinc/68/15/42/982681542.db2.gz NYCOHROFGQXAKO-RYUDHWBXSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)[C@H](C)NC(=O)c1[nH]nc2c1CC[C@@H]2C ZINC001198425715 982711162 /nfs/dbraw/zinc/71/11/62/982711162.db2.gz SGQOFEUTFCBTRG-IUCAKERBSA-N 0 1 235.331 2.234 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1C ZINC001589441877 982785585 /nfs/dbraw/zinc/78/55/85/982785585.db2.gz XNLHGVSPHJPSEG-CYBMUJFWSA-N 0 1 235.327 2.333 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC001589444837 982800883 /nfs/dbraw/zinc/80/08/83/982800883.db2.gz GIWFJZHQROXBAN-XLPZGREQSA-N 0 1 239.237 2.122 20 0 BEADMN CCCC[C@@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC001252075944 983234027 /nfs/dbraw/zinc/23/40/27/983234027.db2.gz FLSMTTMMINWQCT-SNVBAGLBSA-N 0 1 233.302 2.269 20 0 BEADMN CCOc1ncccc1-c1ccc2nn[nH]c2c1 ZINC001240492302 1169012820 /nfs/dbraw/zinc/01/28/20/1169012820.db2.gz AARAHEDLVZVJTD-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ncccc1-c1ccc2[nH]nnc2c1 ZINC001240492302 1169012831 /nfs/dbraw/zinc/01/28/31/1169012831.db2.gz AARAHEDLVZVJTD-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CC(C)Nc1ccc(-n2cncc2N)cc1 ZINC001201489945 983258153 /nfs/dbraw/zinc/25/81/53/983258153.db2.gz YBNFUYFENOEUOV-UHFFFAOYSA-N 0 1 216.288 2.275 20 0 BEADMN CC(C)=CCC[C@H](C)CN1CCN(C)C(=O)C1 ZINC001201482137 983287363 /nfs/dbraw/zinc/28/73/63/983287363.db2.gz GBUVZTPGSBCDDQ-ZDUSSCGKSA-N 0 1 238.375 2.143 20 0 BEADMN CCC[C@H](C)CN1CCn2nccc2C1 ZINC001201553136 983310452 /nfs/dbraw/zinc/31/04/52/983310452.db2.gz HSMYRSVQEYIKQZ-NSHDSACASA-N 0 1 207.321 2.135 20 0 BEADMN CN1CCC12CN(Cc1ccc3c(c1)CCC3)C2 ZINC001275198713 1169039240 /nfs/dbraw/zinc/03/92/40/1169039240.db2.gz CEHSAPDZKIKKAT-UHFFFAOYSA-N 0 1 242.366 2.065 20 0 BEADMN CCN(C)Cc1cn2ccc(C)cc2n1 ZINC001201590242 983354361 /nfs/dbraw/zinc/35/43/61/983354361.db2.gz QVSPYNIAYIFANK-UHFFFAOYSA-N 0 1 203.289 2.094 20 0 BEADMN CCc1ccc(CN2CC3(CCN3C)C2)cc1 ZINC001275915511 1169060488 /nfs/dbraw/zinc/06/04/88/1169060488.db2.gz AYMPIEMIFSGWLY-UHFFFAOYSA-N 0 1 230.355 2.139 20 0 BEADMN CCCCN1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001201714778 983420989 /nfs/dbraw/zinc/42/09/89/983420989.db2.gz ATVSDZGLECXTRI-UHFFFAOYSA-N 0 1 242.363 2.386 20 0 BEADMN CCCC[C@H](O)CNCc1ncccc1Cl ZINC001252112363 983695883 /nfs/dbraw/zinc/69/58/83/983695883.db2.gz NHOGYNKRUTZTCG-JTQLQIEISA-N 0 1 242.750 2.376 20 0 BEADMN CC[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)[O-])C1CC1 ZINC001596295837 983718570 /nfs/dbraw/zinc/71/85/70/983718570.db2.gz RKERRIXFXGLIDA-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[C@@H](C)C[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001258073230 1169136474 /nfs/dbraw/zinc/13/64/74/1169136474.db2.gz BJECRVGPONNEPF-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN Cc1oncc1-c1ccc(CN(C)C)cn1 ZINC001242601142 983941464 /nfs/dbraw/zinc/94/14/64/983941464.db2.gz PNANSXOMVKXRFG-UHFFFAOYSA-N 0 1 217.272 2.107 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000300970668 950560024 /nfs/dbraw/zinc/56/00/24/950560024.db2.gz QQKRECLOCQLCNP-VIFPVBQESA-N 0 1 235.274 2.218 20 0 BEADMN c1[nH]c2ncccc2c1CN1CC2(CSC2)C1 ZINC001137405883 1169242214 /nfs/dbraw/zinc/24/22/14/1169242214.db2.gz SLYODFOOKIHGQI-UHFFFAOYSA-N 0 1 245.351 2.112 20 0 BEADMN C[C@H](N(C)Cc1cccnc1Cl)C(C)(C)O ZINC000394929873 1169257432 /nfs/dbraw/zinc/25/74/32/1169257432.db2.gz VHEZHRNXQKXVBO-VIFPVBQESA-N 0 1 242.750 2.326 20 0 BEADMN CCOCC[C@@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001172418960 974691358 /nfs/dbraw/zinc/69/13/58/974691358.db2.gz HWYNWFZNNCVKLW-NXEZZACHSA-N 0 1 241.310 2.081 20 0 BEADMN CCCCCCN1CC[C@@](F)(C(=O)OC)C1 ZINC000752089374 1169272351 /nfs/dbraw/zinc/27/23/51/1169272351.db2.gz NVUOSWATBRHVBD-LBPRGKRZSA-N 0 1 231.311 2.154 20 0 BEADMN Cc1ccnc(CN[C@@H](C)CCOC(C)C)n1 ZINC001172430432 974714180 /nfs/dbraw/zinc/71/41/80/974714180.db2.gz GUYJEHAEILZSFR-NSHDSACASA-N 0 1 237.347 2.078 20 0 BEADMN CCOCC[C@@H](C)N1CCc2ncsc2C1 ZINC001172432994 974719268 /nfs/dbraw/zinc/71/92/68/974719268.db2.gz MGLPRVSJFVDRKZ-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN Cc1ccc(F)c(O[C@H]2CCN(C)C2)c1F ZINC001225896838 974720338 /nfs/dbraw/zinc/72/03/38/974720338.db2.gz LBABMMKEGIPXER-VIFPVBQESA-N 0 1 227.254 2.356 20 0 BEADMN CC(C)OCC[C@H](C)N1CCCC(=O)CC1 ZINC001172448337 974811049 /nfs/dbraw/zinc/81/10/49/974811049.db2.gz VTOKJABJGRPIOD-LBPRGKRZSA-N 0 1 227.348 2.245 20 0 BEADMN CC(C)COCC[C@H](C)NCc1ncccn1 ZINC001172453380 974815878 /nfs/dbraw/zinc/81/58/78/974815878.db2.gz COBRCSQHNDVHIG-LBPRGKRZSA-N 0 1 237.347 2.017 20 0 BEADMN Cc1cc(C)nc(CN2CCOCC3(CC3)C2)c1 ZINC001119725066 1169317935 /nfs/dbraw/zinc/31/79/35/1169317935.db2.gz JWVHRSQKVYGGOZ-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1OCc1nn[nH]n1 ZINC001223026949 972803875 /nfs/dbraw/zinc/80/38/75/972803875.db2.gz KJSOIUKQEGQHTA-UWVGGRQHSA-N 0 1 224.308 2.075 20 0 BEADMN C[C@H](OCc1nn[nH]n1)c1csc(Cl)c1 ZINC001223028726 972810954 /nfs/dbraw/zinc/81/09/54/972810954.db2.gz CGCQFBROQGLZEW-YFKPBYRVSA-N 0 1 244.707 2.192 20 0 BEADMN Cc1cccc2nc(C(=O)N(C)C(C)C)[nH]c21 ZINC001151982786 1169412778 /nfs/dbraw/zinc/41/27/78/1169412778.db2.gz LFRTUXUUSOBNGE-UHFFFAOYSA-N 0 1 231.299 2.352 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000402224173 973604189 /nfs/dbraw/zinc/60/41/89/973604189.db2.gz URGAZGLCLFHGCU-NEPJUHHUSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])CC[N@@H+](C[C@H]1CC=CCC1)C1CC1 ZINC000402238940 970778658 /nfs/dbraw/zinc/77/86/58/970778658.db2.gz ZLWWOLVRAITJKU-NSHDSACASA-N 0 1 223.316 2.282 20 0 BEADMN Fc1cc(Nc2cnccn2)cc2n[nH]cc21 ZINC001215552659 970786656 /nfs/dbraw/zinc/78/66/56/970786656.db2.gz YBLZOUJHHCCZJQ-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CC(C)CC[C@@H](C)N1CC(=O)N2CCC[C@@H]2C1 ZINC001256370821 970784670 /nfs/dbraw/zinc/78/46/70/970784670.db2.gz KSHQPJCWBAIWNZ-CHWSQXEVSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cn[nH]c1Cn1c2ccccc2sc1=O ZINC001165679720 1169458371 /nfs/dbraw/zinc/45/83/71/1169458371.db2.gz HXTXRXLIYVAHNB-UHFFFAOYSA-N 0 1 245.307 2.143 20 0 BEADMN Fc1cc(Nc2cccnn2)cc2n[nH]cc21 ZINC001215553044 970788298 /nfs/dbraw/zinc/78/82/98/970788298.db2.gz MCJONCFXCFPUSH-UHFFFAOYSA-N 0 1 229.218 2.236 20 0 BEADMN CC(=O)[C@H]1CN([C@@H](C)CCC(C)C)CCO1 ZINC001256373677 970791490 /nfs/dbraw/zinc/79/14/90/970791490.db2.gz DLCNKXPMLYAZLE-WCQYABFASA-N 0 1 227.348 2.101 20 0 BEADMN CCc1coc(CN[C@H](C)Cc2ccccn2)n1 ZINC001256395083 970803030 /nfs/dbraw/zinc/80/30/30/970803030.db2.gz DEDLXSVHPANEHD-LLVKDONJSA-N 0 1 245.326 2.353 20 0 BEADMN Cc1nc(CN[C@@H](C)Cc2ccccn2)c(C)o1 ZINC001256395592 970803285 /nfs/dbraw/zinc/80/32/85/970803285.db2.gz LCQGLZVPCATTMP-JTQLQIEISA-N 0 1 245.326 2.407 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCC[C@@H](F)C1 ZINC001256414877 970823845 /nfs/dbraw/zinc/82/38/45/970823845.db2.gz ININRQNLXZKCMU-VXGBXAGGSA-N 0 1 222.307 2.447 20 0 BEADMN C[C@H](Cc1ccccn1)N1C[C@H](C)O[C@@H](C)C1 ZINC001256420652 970827538 /nfs/dbraw/zinc/82/75/38/970827538.db2.gz DDAJULFQGJMLAI-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN Cc1ccc(Nc2cnn(C)c2)c2cn[nH]c21 ZINC001215754312 970830745 /nfs/dbraw/zinc/83/07/45/970830745.db2.gz STBZJKSYYHLQRU-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN CC(C)Cc1nnc([C@H]2CCCc3[nH]cnc32)o1 ZINC001256432680 970838073 /nfs/dbraw/zinc/83/80/73/970838073.db2.gz YQWJRQPXJQEKEP-VIFPVBQESA-N 0 1 246.314 2.459 20 0 BEADMN CC(C)[C@@H]1CN([C@H](C)Cc2ccccn2)CCO1 ZINC001256425694 970834441 /nfs/dbraw/zinc/83/44/41/970834441.db2.gz IMTZJDGXVMDDAU-HIFRSBDPSA-N 0 1 248.370 2.369 20 0 BEADMN Cc1nocc1-c1cc2[nH]cnc2nc1C ZINC001243678377 970842259 /nfs/dbraw/zinc/84/22/59/970842259.db2.gz PQORQFVGXXGQOF-UHFFFAOYSA-N 0 1 214.228 2.230 20 0 BEADMN COc1cccc(Nc2nnco2)c1C ZINC001215796870 970849896 /nfs/dbraw/zinc/84/98/96/970849896.db2.gz GSHKYNRJTUAUSN-UHFFFAOYSA-N 0 1 205.217 2.130 20 0 BEADMN CSc1cc(F)cc(-n2cncc2N)c1 ZINC001215902166 970872812 /nfs/dbraw/zinc/87/28/12/970872812.db2.gz IEGZYIMPJVNMQJ-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN CCOc1cc(C)ccc1-n1cncc1N ZINC001215874342 970870270 /nfs/dbraw/zinc/87/02/70/970870270.db2.gz CSPRJZXUDGNZPQ-UHFFFAOYSA-N 0 1 217.272 2.162 20 0 BEADMN COc1ccc(-n2cncc2N)cc1SC ZINC001215933801 970876842 /nfs/dbraw/zinc/87/68/42/970876842.db2.gz ZXECQZXHKCHVPI-UHFFFAOYSA-N 0 1 235.312 2.185 20 0 BEADMN Cc1ncn(-c2ccc(OC(C)C)nc2C)c1N ZINC001215918368 970877632 /nfs/dbraw/zinc/87/76/32/970877632.db2.gz AQQJJODFJUHEEZ-UHFFFAOYSA-N 0 1 246.314 2.254 20 0 BEADMN CC[C@H](OCCN1CCN(C)CC1)C(C)(C)C ZINC001224551227 973762871 /nfs/dbraw/zinc/76/28/71/973762871.db2.gz DMVMMHPRIPQPBG-ZDUSSCGKSA-N 0 1 242.407 2.075 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2[nH]nc3ncccc32)o1 ZINC001256624088 970891423 /nfs/dbraw/zinc/89/14/23/970891423.db2.gz GMSOAMRROFGQIC-XPUUQOCRSA-N 0 1 241.254 2.131 20 0 BEADMN C[C@@H]1C[C@H]1c1nnc(-c2nccc3nc[nH]c32)o1 ZINC001256634977 970896878 /nfs/dbraw/zinc/89/68/78/970896878.db2.gz PSWVHQBVYXGYCZ-RNFRBKRXSA-N 0 1 241.254 2.131 20 0 BEADMN Cn1cncc1Nc1cc(F)c(F)c(F)c1N ZINC001216007086 970900493 /nfs/dbraw/zinc/90/04/93/970900493.db2.gz BAQPZMZIHLTVTF-UHFFFAOYSA-N 0 1 242.204 2.163 20 0 BEADMN Cc1nnc(Nc2cc(F)c(F)c(F)c2N)o1 ZINC001216006572 970902236 /nfs/dbraw/zinc/90/22/36/970902236.db2.gz HOJXIFPXYKGTJY-UHFFFAOYSA-N 0 1 244.176 2.121 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000403335632 970916674 /nfs/dbraw/zinc/91/66/74/970916674.db2.gz RZYQYYDRNXBUGV-ZETCQYMHSA-N 0 1 238.114 2.245 20 0 BEADMN CN(C)c1ccc(-n2cncc2N)cc1Cl ZINC001216059404 970919993 /nfs/dbraw/zinc/91/99/93/970919993.db2.gz YHGSUDSVYUJGLT-UHFFFAOYSA-N 0 1 236.706 2.174 20 0 BEADMN CC(C)NCc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000403394111 970930193 /nfs/dbraw/zinc/93/01/93/970930193.db2.gz QVRVQSNWEFDJTK-UPJWGTAASA-N 0 1 248.374 2.212 20 0 BEADMN CN(C)c1cc(F)cc(Nc2cncn2C)c1 ZINC001216161006 970960432 /nfs/dbraw/zinc/96/04/32/970960432.db2.gz WQDSGMQTGVSHDX-UHFFFAOYSA-N 0 1 234.278 2.369 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCC(=O)[C@@H](C)CC1 ZINC001256735673 970964850 /nfs/dbraw/zinc/96/48/50/970964850.db2.gz IUPSQRHWICXVOV-STQMWFEESA-N 0 1 246.354 2.314 20 0 BEADMN CNc1cc(F)cc(Nc2ccnc(CO)c2)c1 ZINC001216185748 970968252 /nfs/dbraw/zinc/96/82/52/970968252.db2.gz RCYJREMJMBINIR-UHFFFAOYSA-N 0 1 247.273 2.498 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(-c2cnccc2N(C)C)o1 ZINC001256736951 970968703 /nfs/dbraw/zinc/96/87/03/970968703.db2.gz OADIBCWSQJZZCO-IUCAKERBSA-N 0 1 244.298 2.321 20 0 BEADMN c1nc(NCCC2=CCCCC2)nc2c1CNC2 ZINC001157948197 970975057 /nfs/dbraw/zinc/97/50/57/970975057.db2.gz HGGXXYLRQFPKOB-UHFFFAOYSA-N 0 1 244.342 2.382 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@H](C)O[C@@H](C)C1 ZINC001256746325 970978516 /nfs/dbraw/zinc/97/85/16/970978516.db2.gz VFJPXHHNVZZLFR-AGIUHOORSA-N 0 1 234.343 2.122 20 0 BEADMN CN(C)Cc1cccc(Nc2ccnn2C)c1F ZINC001216227037 970993521 /nfs/dbraw/zinc/99/35/21/970993521.db2.gz NDIMBCYUXBDDPF-UHFFFAOYSA-N 0 1 248.305 2.364 20 0 BEADMN CN(C)Cc1cccc(Nc2ncccn2)c1F ZINC001216227018 970994101 /nfs/dbraw/zinc/99/41/01/970994101.db2.gz LWKAMDDMTRUHLA-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN COC1CN([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256807141 970994543 /nfs/dbraw/zinc/99/45/43/970994543.db2.gz NYLMPLKFRKIXOE-UKRRQHHQSA-N 0 1 247.338 2.237 20 0 BEADMN CCN(CC=C(Cl)Cl)CC(C)(C)O ZINC000403628999 971000085 /nfs/dbraw/zinc/00/00/85/971000085.db2.gz MPLJGVYVEIEHBV-UHFFFAOYSA-N 0 1 226.147 2.398 20 0 BEADMN c1cnc2cc(C3=CNCCC3)cnc2c1 ZINC001243950150 971040374 /nfs/dbraw/zinc/04/03/74/971040374.db2.gz OASOGXWNHFIBPD-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN Cc1cc(C2=CNCCC2)c2nccn2c1 ZINC001243950425 971046175 /nfs/dbraw/zinc/04/61/75/971046175.db2.gz RXGCVOZWPAECIV-UHFFFAOYSA-N 0 1 213.284 2.367 20 0 BEADMN CC[C@H]1CN(C[C@H](O)c2ccccc2)[C@H](C)CO1 ZINC000403813308 971070049 /nfs/dbraw/zinc/07/00/49/971070049.db2.gz KBVDPCBZKCZRNL-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN COc1cnc(F)c(Nc2cnc(C)n2C)c1 ZINC001216408294 971081025 /nfs/dbraw/zinc/08/10/25/971081025.db2.gz NDEFQQXBMRCUPZ-UHFFFAOYSA-N 0 1 236.250 2.015 20 0 BEADMN Cc1ncn(-c2ccc(O)cc2Cl)c1N ZINC001216427266 971086384 /nfs/dbraw/zinc/08/63/84/971086384.db2.gz ZQMDVAJSUDAZFZ-UHFFFAOYSA-N 0 1 223.663 2.122 20 0 BEADMN Cc1cc(Cl)ccc1Nc1nonc1N ZINC001216430399 971088461 /nfs/dbraw/zinc/08/84/61/971088461.db2.gz HGDUMHFEQFGGEO-UHFFFAOYSA-N 0 1 224.651 2.357 20 0 BEADMN CC(=O)c1cccnc1NC1=CCCOC1 ZINC001216504959 971100763 /nfs/dbraw/zinc/10/07/63/971100763.db2.gz DYIZVWZKYSHEAW-UHFFFAOYSA-N 0 1 218.256 2.000 20 0 BEADMN c1ccc2nc(NC3=CCCOC3)cnc2c1 ZINC001216505738 971105227 /nfs/dbraw/zinc/10/52/27/971105227.db2.gz MTAKNNDFQORILO-UHFFFAOYSA-N 0 1 227.267 2.346 20 0 BEADMN C[C@@H]1CC(N2CCn3cccc3C2)C[C@@H](C)O1 ZINC001257097872 971111219 /nfs/dbraw/zinc/11/12/19/971111219.db2.gz QDLHIJGZTJGROD-VXGBXAGGSA-N 0 1 234.343 2.260 20 0 BEADMN O[C@H](CNCc1ccns1)c1ccsc1 ZINC000404437277 971162149 /nfs/dbraw/zinc/16/21/49/971162149.db2.gz DGYXCQMCQFYEOF-SNVBAGLBSA-N 0 1 240.353 2.028 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(C)ns1 ZINC000404476278 971168562 /nfs/dbraw/zinc/16/85/62/971168562.db2.gz RMLWQVXJTQNOPF-SECBINFHSA-N 0 1 242.344 2.137 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)ns1 ZINC000404476278 971168568 /nfs/dbraw/zinc/16/85/68/971168568.db2.gz RMLWQVXJTQNOPF-SECBINFHSA-N 0 1 242.344 2.137 20 0 BEADMN Cc1cc(C)c(N)c(Nc2cncn2C)c1 ZINC001211251191 1169532185 /nfs/dbraw/zinc/53/21/85/1169532185.db2.gz ZKBHSZIOYDXTNC-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN CCC(CC)N[C@H]1NC(=O)c2ccccc21 ZINC001257290962 971179074 /nfs/dbraw/zinc/17/90/74/971179074.db2.gz QCARXQXBURHVGW-LBPRGKRZSA-N 0 1 218.300 2.207 20 0 BEADMN CCC(CC)NC(CC)(CC)C(=O)OC ZINC001257294796 971181278 /nfs/dbraw/zinc/18/12/78/971181278.db2.gz XWVNZHGBNYWFMI-UHFFFAOYSA-N 0 1 215.337 2.496 20 0 BEADMN CCC[C@H](C)NCc1nccc(Cl)n1 ZINC001257308714 971200329 /nfs/dbraw/zinc/20/03/29/971200329.db2.gz DYCIABCIZMOSHS-QMMMGPOBSA-N 0 1 213.712 2.408 20 0 BEADMN CCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001257314171 971208759 /nfs/dbraw/zinc/20/87/59/971208759.db2.gz INRFYENGQBCWQG-SNVBAGLBSA-N 0 1 221.300 2.353 20 0 BEADMN O[C@@H](CN1CCC(F)(F)CC1)c1ccccc1 ZINC000405175193 1169545543 /nfs/dbraw/zinc/54/55/43/1169545543.db2.gz ZVNCPWRFLAVYCH-LBPRGKRZSA-N 0 1 241.281 2.451 20 0 BEADMN CCC[C@@H](C)N1CCN(C(=O)C2CCC2)CC1 ZINC001257325548 971228738 /nfs/dbraw/zinc/22/87/38/971228738.db2.gz KREORSMJWMKKLX-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(C)cc(NCc2nnc[nH]2)c1 ZINC001329965706 974056680 /nfs/dbraw/zinc/05/66/80/974056680.db2.gz VIGAVXDSIJMIKG-UHFFFAOYSA-N 0 1 202.261 2.034 20 0 BEADMN CCc1nc(CN[C@@H]2CO[C@H](C)[C@H]2C)cs1 ZINC000405558248 971274757 /nfs/dbraw/zinc/27/47/57/971274757.db2.gz RFZGLQYGERDDCW-FXPVBKGRSA-N 0 1 240.372 2.219 20 0 BEADMN CCCCCC[C@H](C)N1CC2(C1)CS(=O)C2 ZINC001257362211 971276232 /nfs/dbraw/zinc/27/62/32/971276232.db2.gz AQPDUMCZKMJVAC-LBPRGKRZSA-N 0 1 243.416 2.410 20 0 BEADMN CCCCCC[C@@H](C)N1CCN(C#N)CC1 ZINC001257371568 971287668 /nfs/dbraw/zinc/28/76/68/971287668.db2.gz ISHAAFGZPHJHBN-CYBMUJFWSA-N 0 1 223.364 2.444 20 0 BEADMN COc1ccc(CNc2ncc(C)cc2C)nn1 ZINC001158550607 971321813 /nfs/dbraw/zinc/32/18/13/971321813.db2.gz MULYRUSYHXBUHO-UHFFFAOYSA-N 0 1 244.298 2.109 20 0 BEADMN CCCC[C@@H](CC)N1CCN(CC)C(=O)C1 ZINC001257425624 971331331 /nfs/dbraw/zinc/33/13/31/971331331.db2.gz WHIGTXYCFDXRSC-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCc1ccc(-c2nnc([C@@H]3CCN3)o2)cc1 ZINC001217694257 971331916 /nfs/dbraw/zinc/33/19/16/971331916.db2.gz CIEZZZZBJFGLQO-NSHDSACASA-N 0 1 229.283 2.333 20 0 BEADMN CC[C@H](C)N[C@H]1C(=O)Nc2cccc(C)c21 ZINC001257427772 971332183 /nfs/dbraw/zinc/33/21/83/971332183.db2.gz TVELYBHBVBQOMB-JOYOIKCWSA-N 0 1 218.300 2.376 20 0 BEADMN Clc1ccccc1Cc1nnc([C@@H]2CCN2)o1 ZINC001217695847 971334040 /nfs/dbraw/zinc/33/40/40/971334040.db2.gz YGXJKRGJQZESOK-JTQLQIEISA-N 0 1 249.701 2.348 20 0 BEADMN C[C@H]1CCCN[C@@H]1c1nnc(C2CC2)o1 ZINC001217702602 971343038 /nfs/dbraw/zinc/34/30/38/971343038.db2.gz LUWUFGQNXSUHIE-CBAPKCEASA-N 0 1 207.277 2.008 20 0 BEADMN C[C@@H]1CC[C@@H](c2nnc(C3CC3)o2)NC1 ZINC001217702469 971344783 /nfs/dbraw/zinc/34/47/83/971344783.db2.gz KSKADMVCVNRDOQ-APPZFPTMSA-N 0 1 207.277 2.008 20 0 BEADMN CCCc1nnc([C@@H]2CC[C@H](C)CN2)o1 ZINC001217702452 971346220 /nfs/dbraw/zinc/34/62/20/971346220.db2.gz KQJMECVGBBDENU-IUCAKERBSA-N 0 1 209.293 2.083 20 0 BEADMN C[C@@H]1CC[C@@H](c2nnc(C3CCC3)o2)NC1 ZINC001217702805 971346786 /nfs/dbraw/zinc/34/67/86/971346786.db2.gz NTAWIVYYXBEKCC-SCZZXKLOSA-N 0 1 221.304 2.398 20 0 BEADMN Cc1cc(CO)ccc1-c1ccc2[nH]nnc2c1 ZINC001244581600 971361168 /nfs/dbraw/zinc/36/11/68/971361168.db2.gz NNDYGNPMZVUYKI-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CO)ccc1-c1ccc2nn[nH]c2c1 ZINC001244581600 971361182 /nfs/dbraw/zinc/36/11/82/971361182.db2.gz NNDYGNPMZVUYKI-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCCc1nnc([C@@H](NC)[C@@H](C)CC)o1 ZINC001217722852 971362677 /nfs/dbraw/zinc/36/26/77/971362677.db2.gz HFZWBQFXAJVDBM-WPRPVWTQSA-N 0 1 211.309 2.329 20 0 BEADMN CCc1nnc([C@@](C)(N)Cc2ccc(F)cc2)o1 ZINC001217733323 971371628 /nfs/dbraw/zinc/37/16/28/971371628.db2.gz AUFOUZGLKRYJIP-ZDUSSCGKSA-N 0 1 249.289 2.188 20 0 BEADMN CN[C@H](c1nnc(CC(C)C)o1)C(C)C ZINC001217726652 971367616 /nfs/dbraw/zinc/36/76/16/971367616.db2.gz HOYPEZCQNIHINT-JTQLQIEISA-N 0 1 211.309 2.185 20 0 BEADMN CCCc1nnc([C@@H](NC)C(C)(C)C)o1 ZINC001217735837 971372848 /nfs/dbraw/zinc/37/28/48/971372848.db2.gz CIUVCJOHDHDIRE-SECBINFHSA-N 0 1 211.309 2.329 20 0 BEADMN c1cnc(C2(NC3CCCCC3)CC2)nc1 ZINC001257452869 971373492 /nfs/dbraw/zinc/37/34/92/971373492.db2.gz TTZKGVLVUZNGBG-UHFFFAOYSA-N 0 1 217.316 2.388 20 0 BEADMN CC(C)[C@@](C)(N)c1nnc([C@H]2C[C@H]2C)o1 ZINC001217732894 971374140 /nfs/dbraw/zinc/37/41/40/971374140.db2.gz JDZWKPFBXBWEGO-VHSKPIJISA-N 0 1 209.293 2.023 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2ccccc12 ZINC001204041697 971377257 /nfs/dbraw/zinc/37/72/57/971377257.db2.gz WWADSUHOTICNPX-NEPJUHHUSA-N 0 1 248.301 2.073 20 0 BEADMN C[C@H](N)c1ncc(-c2nnc(C3CC3)o2)s1 ZINC001217756653 971387523 /nfs/dbraw/zinc/38/75/23/971387523.db2.gz YUAKOVGNQORPCC-YFKPBYRVSA-N 0 1 236.300 2.090 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CC(=O)NC[C@H]1C ZINC001257480451 971403565 /nfs/dbraw/zinc/40/35/65/971403565.db2.gz DZUXABZEIPYBDR-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CCNC(=O)[C@H]1C ZINC001257481061 971403750 /nfs/dbraw/zinc/40/37/50/971403750.db2.gz HNWSYPCHQYLLEK-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN CCC[C@H](C)CC[C@@H](C)N1CCNC(=O)[C@@H]1C ZINC001257481060 971405101 /nfs/dbraw/zinc/40/51/01/971405101.db2.gz HNWSYPCHQYLLEK-XQQFMLRXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCCC[C@@H](C)N1CCNC(=O)C1(C)C ZINC001257510956 971432998 /nfs/dbraw/zinc/43/29/98/971432998.db2.gz BIBYGVZSMIVYSG-LLVKDONJSA-N 0 1 226.364 2.166 20 0 BEADMN CO[C@@H](C)CNc1nc2[nH]cnc2cc1Cl ZINC001158808249 971467638 /nfs/dbraw/zinc/46/76/38/971467638.db2.gz RPUSXQJWRYQCNJ-LURJTMIESA-N 0 1 240.694 2.058 20 0 BEADMN CCCCOC1CN([C@@H]2CCCSC2)C1 ZINC001257677859 971481951 /nfs/dbraw/zinc/48/19/51/971481951.db2.gz KXJIKNDOSHGFNM-LLVKDONJSA-N 0 1 229.389 2.383 20 0 BEADMN Cc1[nH]ncc1-c1nnc(CC(C)(C)C)o1 ZINC001257881150 971516765 /nfs/dbraw/zinc/51/67/65/971516765.db2.gz SREZNURACUWDNV-UHFFFAOYSA-N 0 1 220.276 2.357 20 0 BEADMN CC[C@@H]([NH2+][C@@H](CC)c1nccs1)C(=O)[O-] ZINC000082759010 949026929 /nfs/dbraw/zinc/02/69/29/949026929.db2.gz UVDGOVFAQFVXFK-JGVFFNPUSA-N 0 1 228.317 2.047 20 0 BEADMN C[C@@H](Cc1cccs1)[N@@H+](C)CCC(=O)[O-] ZINC000086441069 949060062 /nfs/dbraw/zinc/06/00/62/949060062.db2.gz UMSSAAPXXNYWLV-VIFPVBQESA-N 0 1 227.329 2.086 20 0 BEADMN CN(Cc1ccon1)C1CCC2(COC2)CC1 ZINC001257910449 971542335 /nfs/dbraw/zinc/54/23/35/971542335.db2.gz DHEHPWRFUQXNRE-UHFFFAOYSA-N 0 1 236.315 2.066 20 0 BEADMN FCCN[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257947738 971545912 /nfs/dbraw/zinc/54/59/12/971545912.db2.gz LMEUHVIFBZBMOT-JTQLQIEISA-N 0 1 229.682 2.203 20 0 BEADMN FC1(F)[C@@H]2CC[C@H](NCc3csnn3)C[C@@H]21 ZINC001330315778 974229004 /nfs/dbraw/zinc/22/90/04/974229004.db2.gz KZNQYLPPFOZTCH-ZQARSLAVSA-N 0 1 245.298 2.062 20 0 BEADMN FC(F)(F)c1cc(CNCC=CC2CC2)[nH]n1 ZINC001330333880 974232110 /nfs/dbraw/zinc/23/21/10/974232110.db2.gz IIAAIINGHKWKOA-OWOJBTEDSA-N 0 1 245.248 2.484 20 0 BEADMN CC[C@H]1CCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000378752540 971578553 /nfs/dbraw/zinc/57/85/53/971578553.db2.gz QRNSMIULRLWQOL-QMMMGPOBSA-N 0 1 240.328 2.216 20 0 BEADMN C[C@H](CNc1[nH+]ccc2ccccc21)C(=O)[O-] ZINC000168605194 949468890 /nfs/dbraw/zinc/46/88/90/949468890.db2.gz XECNUJNSPVMDHN-SECBINFHSA-N 0 1 230.267 2.367 20 0 BEADMN CC[C@H](Oc1[nH]c(=O)nc2cnccc21)C(C)C ZINC001226976314 1169616437 /nfs/dbraw/zinc/61/64/37/1169616437.db2.gz KSLSPGSROVFRCQ-NSHDSACASA-N 0 1 247.298 2.132 20 0 BEADMN CCCCC[C@@H](C)Oc1n[nH]c2c1CNCC2 ZINC001218212923 971630961 /nfs/dbraw/zinc/63/09/61/971630961.db2.gz WCULCUAFVRWSKR-SNVBAGLBSA-N 0 1 237.347 2.403 20 0 BEADMN Cc1cnc(CN)n1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170725287 971658131 /nfs/dbraw/zinc/65/81/31/971658131.db2.gz XUPWAUVGZKVUOP-JGPRNRPPSA-N 0 1 219.332 2.257 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NC3(c4ncccn4)CC3)C[C@@H]21 ZINC001170737123 971688162 /nfs/dbraw/zinc/68/81/62/971688162.db2.gz FKTPKPCRCVMUIG-CNDDSTCGSA-N 0 1 243.354 2.490 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2n[nH]c3c2CNCC3)C[C@H]1C ZINC001218295808 971696085 /nfs/dbraw/zinc/69/60/85/971696085.db2.gz OWRGLHKZMPQYOV-GMTAPVOTSA-N 0 1 249.358 2.259 20 0 BEADMN Cc1sc(C(=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380399842 971696076 /nfs/dbraw/zinc/69/60/76/971696076.db2.gz NWPDGPMLWDCQFD-AOOOYVTPSA-N 0 1 237.324 2.206 20 0 BEADMN C[C@@H]1CC[C@H](Oc2n[nH]c3c2CNCC3)C[C@@H]1C ZINC001218295814 971696558 /nfs/dbraw/zinc/69/65/58/971696558.db2.gz OWRGLHKZMPQYOV-VWYCJHECSA-N 0 1 249.358 2.259 20 0 BEADMN CCc1cnc(CNCC2(O)CCCC2)s1 ZINC000309638788 971719155 /nfs/dbraw/zinc/71/91/55/971719155.db2.gz KGCRLXUILLGSOY-UHFFFAOYSA-N 0 1 240.372 2.100 20 0 BEADMN CSC1(C[N@H+](CC(=O)[O-])CC2CC2)CCC1 ZINC000390383352 951376665 /nfs/dbraw/zinc/37/66/65/951376665.db2.gz ACYYOMGWBKIGJB-UHFFFAOYSA-N 0 1 243.372 2.069 20 0 BEADMN O=C(NC/C=C/Cl)c1cccc(F)c1O ZINC001134611202 971737188 /nfs/dbraw/zinc/73/71/88/971737188.db2.gz LWGDZLJCPOVITC-GORDUTHDSA-N 0 1 229.638 2.014 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170764636 971753341 /nfs/dbraw/zinc/75/33/41/971753341.db2.gz KSNSZMCHUKOJRC-ZSBIGDGJSA-N 0 1 239.359 2.306 20 0 BEADMN CCC=CNc1ncc(OC)c(OCC)n1 ZINC001170766315 971760238 /nfs/dbraw/zinc/76/02/38/971760238.db2.gz GCXMBNDLYOINDQ-VOTSOKGWSA-N 0 1 223.276 2.220 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000399063990 951629775 /nfs/dbraw/zinc/62/97/75/951629775.db2.gz OUFLFOLMTJWERM-WOPDTQHZSA-N 0 1 248.326 2.185 20 0 BEADMN CCCC=Nc1ncc(F)c2nccnc12 ZINC001170767021 971763173 /nfs/dbraw/zinc/76/31/73/971763173.db2.gz LYNDITSCCVVHCL-ONEGZZNKSA-N 0 1 218.235 2.500 20 0 BEADMN CCCC=Nc1ncc2c(ccn2C)n1 ZINC001170767601 971766346 /nfs/dbraw/zinc/76/63/46/971766346.db2.gz SPYRACOSWXBXOS-GQCTYLIASA-N 0 1 202.261 2.304 20 0 BEADMN CCCC=Nc1cnc(C(=O)OCC2CC2)cn1 ZINC001170767288 971768228 /nfs/dbraw/zinc/76/82/28/971768228.db2.gz HLCMOABXYVQFDX-ZZXKWVIFSA-N 0 1 247.298 2.379 20 0 BEADMN CC[C@H](Oc1nc(C)nc2[nH]cnc21)C(C)C ZINC001229438898 1169659334 /nfs/dbraw/zinc/65/93/34/1169659334.db2.gz ZGNZUVMEWXGMKD-VIFPVBQESA-N 0 1 234.303 2.475 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H](C)C(C)C)n1 ZINC001229438347 1169660247 /nfs/dbraw/zinc/66/02/47/1169660247.db2.gz IRCKWFMHHDBDOO-ZETCQYMHSA-N 0 1 220.276 2.085 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@H]2CC[C@@H](C)C2)n1 ZINC001229438205 1169661418 /nfs/dbraw/zinc/66/14/18/1169661418.db2.gz DOVPWJGKBKJZAY-APPZFPTMSA-N 0 1 232.287 2.229 20 0 BEADMN COCc1ccnc(-c2cc3ccc[nH]c-3n2)n1 ZINC001245397689 971807259 /nfs/dbraw/zinc/80/72/59/971807259.db2.gz UFGYJRUEHYOLHK-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN Cc1cc2[nH]ncc2cc1OC[C@H]1C[C@H](O)C1 ZINC001218429014 971808065 /nfs/dbraw/zinc/80/80/65/971808065.db2.gz QQZNEPPLMKCIAY-HOMQSWHASA-N 0 1 232.283 2.021 20 0 BEADMN c1ccc(C2(N[C@H]3CCCOCC3)COC2)cc1 ZINC001170790337 971827478 /nfs/dbraw/zinc/82/74/78/971827478.db2.gz RJLRPIHJEZRRFG-AWEZNQCLSA-N 0 1 247.338 2.071 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)NCc1ncco1 ZINC001172317424 974523980 /nfs/dbraw/zinc/52/39/80/974523980.db2.gz RCSWKIYRJOFZHV-WDEREUQCSA-N 0 1 226.320 2.358 20 0 BEADMN CN1CCC12CN(Cc1cccc3ccoc31)C2 ZINC001276789442 971864353 /nfs/dbraw/zinc/86/43/53/971864353.db2.gz KGVPZVDMAMLBFI-UHFFFAOYSA-N 0 1 242.322 2.323 20 0 BEADMN F[C@H]1CN([C@H]2CCCOCC2)CCC1(F)F ZINC001170810122 971873414 /nfs/dbraw/zinc/87/34/14/971873414.db2.gz XAKJKFQHZFPFTE-UWVGGRQHSA-N 0 1 237.265 2.235 20 0 BEADMN F[C@@H]1CN([C@@H]2CCCOCC2)CCC1(F)F ZINC001170810121 971874075 /nfs/dbraw/zinc/87/40/75/971874075.db2.gz XAKJKFQHZFPFTE-NXEZZACHSA-N 0 1 237.265 2.235 20 0 BEADMN C[C@@H](O)[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000309901889 971877612 /nfs/dbraw/zinc/87/76/12/971877612.db2.gz IBJKFVOXPDLGFG-XHNCKOQMSA-N 0 1 229.270 2.385 20 0 BEADMN Cc1cc2nccn2cc1N[C@@H]1CCOC[C@H]1C ZINC001170821917 971909690 /nfs/dbraw/zinc/90/96/90/971909690.db2.gz YZOJHQJOQVVFTO-VXGBXAGGSA-N 0 1 245.326 2.480 20 0 BEADMN C[C@@H]1COCC[C@H]1Nc1cccn2cncc12 ZINC001170823770 971922094 /nfs/dbraw/zinc/92/20/94/971922094.db2.gz HDGITQRWJAKXKD-GHMZBOCLSA-N 0 1 231.299 2.171 20 0 BEADMN Oc1cccc(F)c1-c1ncnc2c1COCC2 ZINC001245653055 971943341 /nfs/dbraw/zinc/94/33/41/971943341.db2.gz GCJSPQUODJJLLR-UHFFFAOYSA-N 0 1 246.241 2.061 20 0 BEADMN N[C@@H](Cc1ccsc1)C(=O)Nc1ccccc1 ZINC001218809916 971943675 /nfs/dbraw/zinc/94/36/75/971943675.db2.gz RXSFNWNLUSXNAO-LBPRGKRZSA-N 0 1 246.335 2.257 20 0 BEADMN Nc1cc(-c2c(O)cccc2F)ncc1F ZINC001245653858 971946699 /nfs/dbraw/zinc/94/66/99/971946699.db2.gz PBSQEADXHLYULP-UHFFFAOYSA-N 0 1 222.194 2.315 20 0 BEADMN CC[C@@](N)(CO)Nc1nccc2cc(C)ccc21 ZINC001170857651 971977425 /nfs/dbraw/zinc/97/74/25/971977425.db2.gz GWHQAASJGGSGNB-AWEZNQCLSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@H](C)OCC[C@H](C)N1C[C@@H](OC)[C@@H](F)C1 ZINC001172339561 974605245 /nfs/dbraw/zinc/60/52/45/974605245.db2.gz OYDNUMJWVVUMGW-ZDEQEGDKSA-N 0 1 247.354 2.249 20 0 BEADMN CC[C@](N)(CO)Nc1cc(C)cc(Cl)c1 ZINC001170864726 971993446 /nfs/dbraw/zinc/99/34/46/971993446.db2.gz WCXBLKHASHAFOA-LLVKDONJSA-N 0 1 228.723 2.118 20 0 BEADMN CC[C@@](N)(CO)Nc1c(C)cc(C)cc1C ZINC001170864367 971991362 /nfs/dbraw/zinc/99/13/62/971991362.db2.gz HPRXAWSCKCBWBI-ZDUSSCGKSA-N 0 1 222.332 2.081 20 0 BEADMN CCCCc1cccc(N[C@@](N)(CC)CO)c1 ZINC001170866251 971997524 /nfs/dbraw/zinc/99/75/24/971997524.db2.gz QPMUTQMUKGYHMN-AWEZNQCLSA-N 0 1 236.359 2.498 20 0 BEADMN CC[C@](N)(CO)Nc1cc(F)c2ccccc2c1 ZINC001170865972 971998056 /nfs/dbraw/zinc/99/80/56/971998056.db2.gz LZFCTZYKVBLXLB-CQSZACIVSA-N 0 1 248.301 2.448 20 0 BEADMN CC[C@](N)(CO)Nc1cccc(C(F)F)c1 ZINC001170865329 971998379 /nfs/dbraw/zinc/99/83/79/971998379.db2.gz MRZITFHFYBZYRS-LLVKDONJSA-N 0 1 230.258 2.093 20 0 BEADMN CCCC=Nc1nc(Cl)nc2c1ncn2C ZINC001159668689 972012003 /nfs/dbraw/zinc/01/20/03/972012003.db2.gz XJKNXTIAXYHZEL-SNAWJCMRSA-N 0 1 237.694 2.352 20 0 BEADMN Cc1ccc(-n2[nH]c(CO)cc2=O)cc1Cl ZINC001245926586 972101768 /nfs/dbraw/zinc/10/17/68/972101768.db2.gz YNNHQLGWPIRHDG-UHFFFAOYSA-N 0 1 238.674 2.032 20 0 BEADMN CCO/C=C/C(=O)Nc1ccc2nc[nH]c2c1 ZINC001136430248 972167025 /nfs/dbraw/zinc/16/70/25/972167025.db2.gz IQYSIDYYFYTGCZ-AATRIKPKSA-N 0 1 231.255 2.052 20 0 BEADMN Fc1cccc2c1C[C@H](N1CC3(COC3)C1)CC2 ZINC001170987098 972210204 /nfs/dbraw/zinc/21/02/04/972210204.db2.gz ZFKLZOKXJSKGCR-GFCCVEGCSA-N 0 1 247.313 2.015 20 0 BEADMN Cc1cc(NC(=O)Cc2cnc[nH]2)ccc1F ZINC001136609328 972215947 /nfs/dbraw/zinc/21/59/47/972215947.db2.gz GIGRVVWEVPKBIQ-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN CC(C)n1ccnc1CNCCOC1CCC1 ZINC000692935513 956878992 /nfs/dbraw/zinc/87/89/92/956878992.db2.gz FCLXAOFQRVAKQE-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN CC(C)C1(C[N@@H+](C)C[C@@H](C)C(=O)[O-])CC1 ZINC000687539046 956885178 /nfs/dbraw/zinc/88/51/78/956885178.db2.gz CNLYYYFBLRAIDO-SNVBAGLBSA-N 0 1 213.321 2.075 20 0 BEADMN COc1ccc(-c2cc(F)c(O)cc2F)nn1 ZINC001206755907 956885818 /nfs/dbraw/zinc/88/58/18/956885818.db2.gz QDUHNKASGZWMNX-UHFFFAOYSA-N 0 1 238.193 2.136 20 0 BEADMN Cc1cc(C)c(Nc2ccnc(CO)c2)cn1 ZINC001213508235 957053516 /nfs/dbraw/zinc/05/35/16/957053516.db2.gz NYLBXEHUHQQRCW-UHFFFAOYSA-N 0 1 229.283 2.329 20 0 BEADMN O=C([O-])c1cc[nH+]c(NCCc2ccccc2)c1 ZINC000019844982 957122958 /nfs/dbraw/zinc/12/29/58/957122958.db2.gz HIXAGKRXJTULPU-UHFFFAOYSA-N 0 1 242.278 2.434 20 0 BEADMN COc1ncnc2c1CCN(CCCC(C)C)C2 ZINC001208736077 957153286 /nfs/dbraw/zinc/15/32/86/957153286.db2.gz WDPWTJNMQYREEQ-UHFFFAOYSA-N 0 1 249.358 2.280 20 0 BEADMN C[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccn1 ZINC000036777769 957234482 /nfs/dbraw/zinc/23/44/82/957234482.db2.gz BROXDZHXCLBJJY-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccn1 ZINC000036777769 957234492 /nfs/dbraw/zinc/23/44/92/957234492.db2.gz BROXDZHXCLBJJY-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN COCOCCCN1Cc2ccccc2C1 ZINC001209023264 957271671 /nfs/dbraw/zinc/27/16/71/957271671.db2.gz JDWISXIYAHBXRQ-UHFFFAOYSA-N 0 1 221.300 2.013 20 0 BEADMN CCc1cncc(Nc2nnc(C)o2)c1 ZINC001209165435 957344351 /nfs/dbraw/zinc/34/43/51/957344351.db2.gz NJLYTCPISFIZKW-UHFFFAOYSA-N 0 1 204.233 2.079 20 0 BEADMN CCc1[nH+]ccn1Cc1cc(C(=O)[O-])c(C)o1 ZINC000041671725 957391481 /nfs/dbraw/zinc/39/14/81/957391481.db2.gz IGGCRMBWVXXYAW-UHFFFAOYSA-N 0 1 234.255 2.093 20 0 BEADMN C[N@@H+](Cc1cccs1)C(C)(C)C(=O)[O-] ZINC000041875709 957399595 /nfs/dbraw/zinc/39/95/95/957399595.db2.gz KZBLMYVPCJGZBK-UHFFFAOYSA-N 0 1 213.302 2.043 20 0 BEADMN COC(C)(C)[C@@H]1CCCN1Cc1cc(C)on1 ZINC001206818833 957402358 /nfs/dbraw/zinc/40/23/58/957402358.db2.gz IYEVZYVGZGUIJG-LBPRGKRZSA-N 0 1 238.331 2.372 20 0 BEADMN CN(Cc1ccoc1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000042448835 957417821 /nfs/dbraw/zinc/41/78/21/957417821.db2.gz GZZODZIOPYPGHA-UHFFFAOYSA-N 0 1 232.239 2.009 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2ccncc2)C1 ZINC001209426566 957448149 /nfs/dbraw/zinc/44/81/49/957448149.db2.gz DPSRFOWJZPYNNK-MRVWCRGKSA-N 0 1 232.327 2.111 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@H](c2ccncc2)C1 ZINC001209426564 957449045 /nfs/dbraw/zinc/44/90/45/957449045.db2.gz DPSRFOWJZPYNNK-BNOWGMLFSA-N 0 1 232.327 2.111 20 0 BEADMN CCOc1ccnc(N2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001167216436 957550095 /nfs/dbraw/zinc/55/00/95/957550095.db2.gz UTCQBGYVPLSMFB-DGCLKSJQSA-N 0 1 248.326 2.096 20 0 BEADMN Cc1cnc(N2CC[C@@H]3OCC[C@@H]3C2)cc1C ZINC001167218959 957552293 /nfs/dbraw/zinc/55/22/93/957552293.db2.gz UOSBGTQLLNZRPF-OLZOCXBDSA-N 0 1 232.327 2.314 20 0 BEADMN COC[C@H]1CCN(Cc2cc(Cl)ccn2)C1 ZINC000086130204 957565643 /nfs/dbraw/zinc/56/56/43/957565643.db2.gz GOUXLUSROAOLBZ-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)C(C)(C)C(=O)[O-] ZINC000061174413 957576826 /nfs/dbraw/zinc/57/68/26/957576826.db2.gz WZZFXGKGRJCVNI-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cc(N)ncc1Nc1noc2cnccc21 ZINC001209965107 957587182 /nfs/dbraw/zinc/58/71/82/957587182.db2.gz MBVCPTAQRNNGNY-UHFFFAOYSA-N 0 1 241.254 2.252 20 0 BEADMN COc1ncc(Nc2cnc(N)cc2C)cc1C ZINC001209968859 957590090 /nfs/dbraw/zinc/59/00/90/957590090.db2.gz ZHEBVMRZALIQDR-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc(CO)c1 ZINC001209968979 957591228 /nfs/dbraw/zinc/59/12/28/957591228.db2.gz FHARHRWHRWMGOA-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN Cc1cc2nccn2cc1NCc1cncnc1 ZINC001167261474 957604331 /nfs/dbraw/zinc/60/43/31/957604331.db2.gz VTZPNRKAHFICQE-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN Cc1cnc(Cl)cc1N[C@H]1CC[N@H+](C)C1 ZINC001167278173 957623797 /nfs/dbraw/zinc/62/37/97/957623797.db2.gz AVOKXEQJNAJVBR-VIFPVBQESA-N 0 1 225.723 2.159 20 0 BEADMN c1c(CN2CCCC23CC3)nc2ccccn12 ZINC001136875769 972284602 /nfs/dbraw/zinc/28/46/02/972284602.db2.gz DLQPYELBIKRTBE-UHFFFAOYSA-N 0 1 227.311 2.463 20 0 BEADMN CCc1[nH+]ccn1Cc1ccc(F)cc1C(=O)[O-] ZINC000071265239 957714562 /nfs/dbraw/zinc/71/45/62/957714562.db2.gz DYIACKXECPQNFR-UHFFFAOYSA-N 0 1 248.257 2.331 20 0 BEADMN C[C@H]1C(=O)CCN(Cc2cnc[nH]2)C12CCCC2 ZINC001136875377 972287364 /nfs/dbraw/zinc/28/73/64/972287364.db2.gz XBFBSPHYAHTKKA-NSHDSACASA-N 0 1 247.342 2.133 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000071738232 957730207 /nfs/dbraw/zinc/73/02/07/957730207.db2.gz WCDYDOQMPWEUJE-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nc2cc(NCc3cccnn3)ccc2[nH]1 ZINC001167324371 957757221 /nfs/dbraw/zinc/75/72/21/957757221.db2.gz GVLICNAZMQRWEH-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN COCc1ccc(CNCCOC2CCC2)o1 ZINC000690703680 957766280 /nfs/dbraw/zinc/76/62/80/957766280.db2.gz LWFGSSIUDOJYMU-UHFFFAOYSA-N 0 1 239.315 2.085 20 0 BEADMN CC(C)n1nccc1-n1c(N)nc2ccccc21 ZINC001210510777 957774127 /nfs/dbraw/zinc/77/41/27/957774127.db2.gz AFWWWKIZUOJPQJ-UHFFFAOYSA-N 0 1 241.298 2.385 20 0 BEADMN O=C1CC(Nc2cc(OCC3CC3)ccn2)C1 ZINC001167339073 957795389 /nfs/dbraw/zinc/79/53/89/957795389.db2.gz SNMXVARRWBSYBM-UHFFFAOYSA-N 0 1 232.283 2.014 20 0 BEADMN C[N@@H+](CC(C)(C)C)CC1(CC(=O)[O-])CC1 ZINC000083854762 957836740 /nfs/dbraw/zinc/83/67/40/957836740.db2.gz CLOAQQIISSHRNK-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN COC(=O)c1occc1CN[C@]12C[C@H]1CCCC2 ZINC000693188212 957846483 /nfs/dbraw/zinc/84/64/83/957846483.db2.gz PIMNAKUAVALQLO-BXUZGUMPSA-N 0 1 249.310 2.489 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000084049588 957850584 /nfs/dbraw/zinc/85/05/84/957850584.db2.gz IFINDUMMVMIJLG-JMQBSKDBSA-N 0 1 211.305 2.138 20 0 BEADMN CN(Cc1nc2ccccc2s1)CC1COC1 ZINC001136954890 972303235 /nfs/dbraw/zinc/30/32/35/972303235.db2.gz HHUDFADRXZHUKI-UHFFFAOYSA-N 0 1 248.351 2.375 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000086807983 957993045 /nfs/dbraw/zinc/99/30/45/957993045.db2.gz VXZXZTCXPRWVEV-QMMMGPOBSA-N 0 1 243.253 2.117 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1c2[nH]cnc2ccc1F ZINC001136972288 972310569 /nfs/dbraw/zinc/31/05/69/972310569.db2.gz HFVDGHGQEYISIX-MRVPVSSYSA-N 0 1 247.273 2.327 20 0 BEADMN COCc1cncc(Nc2nnc(C(C)C)o2)c1 ZINC001211074069 958019146 /nfs/dbraw/zinc/01/91/46/958019146.db2.gz DDQGRJHVRHCJCA-UHFFFAOYSA-N 0 1 248.286 2.478 20 0 BEADMN COc1nccc(Nc2cncn2C)c1Cl ZINC001211245035 958101842 /nfs/dbraw/zinc/10/18/42/958101842.db2.gz ICUPYGJGDAILTA-UHFFFAOYSA-N 0 1 238.678 2.221 20 0 BEADMN CNc1ccnc(Cl)c1Nc1cncn1C ZINC001211244862 958105267 /nfs/dbraw/zinc/10/52/67/958105267.db2.gz GFRBWNZQERYRIP-UHFFFAOYSA-N 0 1 237.694 2.254 20 0 BEADMN Cc1cnn(CC2CCC2)c1Nc1cncn1C ZINC001211248924 958107415 /nfs/dbraw/zinc/10/74/15/958107415.db2.gz SSRPCKWUSNDOEB-UHFFFAOYSA-N 0 1 245.330 2.469 20 0 BEADMN CN(c1cncn1C)c1cc(Cl)ccc1N ZINC001211251377 958115193 /nfs/dbraw/zinc/11/51/93/958115193.db2.gz YYFQUUBWJOCYFK-UHFFFAOYSA-N 0 1 236.706 2.424 20 0 BEADMN Cn1cncc1Nc1cn(CC2CCC2)cn1 ZINC001211248068 958116742 /nfs/dbraw/zinc/11/67/42/958116742.db2.gz INDFFVHTENHUEU-UHFFFAOYSA-N 0 1 231.303 2.160 20 0 BEADMN Cn1cncc1Nc1ccc(CO)c(Cl)c1 ZINC001211251785 958119677 /nfs/dbraw/zinc/11/96/77/958119677.db2.gz PAOOPYYNEVOQCH-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN COc1ccc(C(C)=O)c(Nc2cncn2C)c1 ZINC001211251613 958120550 /nfs/dbraw/zinc/12/05/50/958120550.db2.gz KTDCGMVPZATZJF-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN Cc1c(F)ccc(N)c1Nc1cncn1C ZINC001211251525 958120909 /nfs/dbraw/zinc/12/09/09/958120909.db2.gz IUDCLCDVCMBCJL-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN COc1cnccc1-n1cc2cccc(N)c2n1 ZINC001211259960 958128755 /nfs/dbraw/zinc/12/87/55/958128755.db2.gz FPWZNRYXEGNXBJ-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN COc1ccc(Nc2ccncc2OC)cc1 ZINC001211262638 958129282 /nfs/dbraw/zinc/12/92/82/958129282.db2.gz JSHWJSXHLHFDPW-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN Cc1cc(O)cc(Nc2ccnc(CO)c2)c1 ZINC001215509626 958185779 /nfs/dbraw/zinc/18/57/79/958185779.db2.gz NYVMUUGYEHMUIY-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN COCc1cc(C)c(-n2cncc2N)c(C)c1 ZINC001215530525 958198349 /nfs/dbraw/zinc/19/83/49/958198349.db2.gz LRTCTBQKVBXEHD-UHFFFAOYSA-N 0 1 231.299 2.218 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCOC[C@@H]3C)c2c1 ZINC001140328640 958218980 /nfs/dbraw/zinc/21/89/80/958218980.db2.gz JCUBGOFCTBXHNT-NSHDSACASA-N 0 1 245.326 2.092 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000723138204 958297959 /nfs/dbraw/zinc/29/79/59/958297959.db2.gz OHDCATCTXIWOND-USZNOCQGSA-N 0 1 225.332 2.075 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762270 958307995 /nfs/dbraw/zinc/30/79/95/958307995.db2.gz VKAZRSOUDRDNEE-GFCCVEGCSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1C(=O)[O-] ZINC000693442851 958423675 /nfs/dbraw/zinc/42/36/75/958423675.db2.gz BDGUBDOQTSAHGV-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)N1CC(Nc2cccc(Cl)n2)C1 ZINC000306311291 958428355 /nfs/dbraw/zinc/42/83/55/958428355.db2.gz MQCHGJJFMQPJGO-UHFFFAOYSA-N 0 1 225.723 2.240 20 0 BEADMN O=C(Nc1ccccc1)c1ccncc1O ZINC000082320606 958493295 /nfs/dbraw/zinc/49/32/95/958493295.db2.gz ZNIBUOVDMKQXOP-UHFFFAOYSA-N 0 1 214.224 2.040 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3ccncc3)c(=O)c2C1 ZINC001330066546 972357998 /nfs/dbraw/zinc/35/79/98/972357998.db2.gz DBZDPVSNMSCOPG-ZYHUDNBSSA-N 0 1 243.310 2.216 20 0 BEADMN CN(C)Cc1cccnc1C(F)(F)F ZINC000707454077 958517093 /nfs/dbraw/zinc/51/70/93/958517093.db2.gz FDZSCMAVPQOESP-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN Cc1c[nH]c(CN[C@@H](C)Cc2ccco2)n1 ZINC000693467648 958518314 /nfs/dbraw/zinc/51/83/14/958518314.db2.gz LRBQEQKEUNYQOP-VIFPVBQESA-N 0 1 219.288 2.032 20 0 BEADMN Oc1cc(F)c(-c2cncc3nnoc32)cc1F ZINC001222082820 972360087 /nfs/dbraw/zinc/36/00/87/972360087.db2.gz IPJGLZHKOMBRHF-UHFFFAOYSA-N 0 1 249.176 2.269 20 0 BEADMN O=C([O-])CCCCn1c[nH+]c2c1CCCC2 ZINC000127266494 958608886 /nfs/dbraw/zinc/60/88/86/958608886.db2.gz JYIDQYFENFPEQW-UHFFFAOYSA-N 0 1 222.288 2.017 20 0 BEADMN Cc1noc([C@@H](N[C@@H]2CCSC2)C(C)C)n1 ZINC000167717316 958628250 /nfs/dbraw/zinc/62/82/50/958628250.db2.gz ZBNAQKRLEBDPEK-ZJUUUORDSA-N 0 1 241.360 2.170 20 0 BEADMN CC(C)CCCC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000140831487 958973241 /nfs/dbraw/zinc/97/32/41/958973241.db2.gz MNEIMLYXLQNRKW-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN CC(C)CCCC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000140831303 958973302 /nfs/dbraw/zinc/97/33/02/958973302.db2.gz MNEIMLYXLQNRKW-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN CCOC(C)(C)CNc1cc(C(=O)[O-])cc[nH+]1 ZINC000159495564 959119758 /nfs/dbraw/zinc/11/97/58/959119758.db2.gz GKAZMRFVGMRYDR-UHFFFAOYSA-N 0 1 238.287 2.007 20 0 BEADMN COc1ccc2nc(NC(=O)C=C(C)C)[nH]c2c1 ZINC001143919168 972412052 /nfs/dbraw/zinc/41/20/52/972412052.db2.gz DVFLDQBRPPFXKZ-UHFFFAOYSA-N 0 1 245.282 2.476 20 0 BEADMN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nnc[nH]2)C1(C)C ZINC001327114561 972415976 /nfs/dbraw/zinc/41/59/76/972415976.db2.gz DIPYWMUBVBIFHJ-KOLCDFICSA-N 0 1 249.314 2.086 20 0 BEADMN CC(C)CCC[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000165510749 959282637 /nfs/dbraw/zinc/28/26/37/959282637.db2.gz RUAPXNFDCGQLBS-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1[nH+]c(NC[C@H]2C[C@@H]2C)ccc1C(=O)[O-] ZINC000167084711 959334437 /nfs/dbraw/zinc/33/44/37/959334437.db2.gz DIXLTWWRUPXTNV-IONNQARKSA-N 0 1 220.272 2.156 20 0 BEADMN C/C=C(\C)C(=O)Nc1nc2ccc(OC)cc2[nH]1 ZINC001143932272 972427048 /nfs/dbraw/zinc/42/70/48/972427048.db2.gz NPSDRYQIDYDZMI-XBXARRHUSA-N 0 1 245.282 2.476 20 0 BEADMN Fc1ccc(-c2nnc([C@@H]3C=CCN3)o2)cc1 ZINC001217718011 959560934 /nfs/dbraw/zinc/56/09/34/959560934.db2.gz REOUAGXCDXYSKJ-JTQLQIEISA-N 0 1 231.230 2.076 20 0 BEADMN CC(C)(C)C[C@H](CO)NCc1nccs1 ZINC000309077885 959643317 /nfs/dbraw/zinc/64/33/17/959643317.db2.gz MTYSVTHFOCOOLO-SECBINFHSA-N 0 1 228.361 2.030 20 0 BEADMN CN(Cc1cc[nH]c1)C1CC(F)(F)C1 ZINC001140704853 959657293 /nfs/dbraw/zinc/65/72/93/959657293.db2.gz KOMLXSQBNWJDID-UHFFFAOYSA-N 0 1 200.232 2.244 20 0 BEADMN C[C@@H]1CC[C@H]1NCc1noc2c1CCCC2 ZINC000309782311 959694965 /nfs/dbraw/zinc/69/49/65/959694965.db2.gz NEACBGKRRHDCRQ-MWLCHTKSSA-N 0 1 220.316 2.442 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000215690951 959761334 /nfs/dbraw/zinc/76/13/34/959761334.db2.gz YDIGIJHPHKMQCA-XMZCBSEDSA-N 0 1 211.305 2.138 20 0 BEADMN COC(=O)C[C@@H](C)Nc1cc(C)cc(C)n1 ZINC000309466395 959880195 /nfs/dbraw/zinc/88/01/95/959880195.db2.gz PMJFCZFMNDONRU-SNVBAGLBSA-N 0 1 222.288 2.062 20 0 BEADMN CCN(CC)Cc1cnc(SC)nc1NC ZINC001140835645 959948809 /nfs/dbraw/zinc/94/88/09/959948809.db2.gz CNJSSPBFTBNSFS-UHFFFAOYSA-N 0 1 240.376 2.082 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823162 959970972 /nfs/dbraw/zinc/97/09/72/959970972.db2.gz OLMZMIAEVSFKRY-UMNHJUIQSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)[C@@H](N)c1cc([C@@H]2CCCO2)no1 ZINC000694885778 960024941 /nfs/dbraw/zinc/02/49/41/960024941.db2.gz UXDMOPGHIZUMBD-GXSJLCMTSA-N 0 1 210.277 2.182 20 0 BEADMN Cc1[nH+]c(N2CCCC3(CC3)C2)ccc1C(=O)[O-] ZINC000695075618 960080591 /nfs/dbraw/zinc/08/05/91/960080591.db2.gz AYANJQNFTLPVEV-UHFFFAOYSA-N 0 1 246.310 2.469 20 0 BEADMN O=C([O-])[C@H]1CCCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000230361286 960146245 /nfs/dbraw/zinc/14/62/45/960146245.db2.gz OUMKZIGKSHUOLC-VXGBXAGGSA-N 0 1 223.316 2.424 20 0 BEADMN CCCCCN1CC(NC(=O)C=C2CCC2)C1 ZINC001267641959 960162394 /nfs/dbraw/zinc/16/23/94/960162394.db2.gz QENLVVLDJJOZRZ-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN CC(C)CN1CC(NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001267649886 960171835 /nfs/dbraw/zinc/17/18/35/960171835.db2.gz CHVCLJSFHFECKZ-NSHDSACASA-N 0 1 240.391 2.125 20 0 BEADMN C[C@]1(F)CCCN(Cc2ncco2)CC1 ZINC001141004299 960182995 /nfs/dbraw/zinc/18/29/95/960182995.db2.gz APFKSRUNGJRULP-NSHDSACASA-N 0 1 212.268 2.389 20 0 BEADMN COc1ccccc1CCN1CC[C@@H](F)C1 ZINC001207453330 960189072 /nfs/dbraw/zinc/18/90/72/960189072.db2.gz FJWYJYGPLMAFHK-GFCCVEGCSA-N 0 1 223.291 2.282 20 0 BEADMN c1coc(CN(C2CCC2)C2CCOCC2)n1 ZINC001141012526 960199508 /nfs/dbraw/zinc/19/95/08/960199508.db2.gz OXWZUCIJXHMAJW-UHFFFAOYSA-N 0 1 236.315 2.208 20 0 BEADMN CCC1(CNc2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000232908861 960304194 /nfs/dbraw/zinc/30/41/94/960304194.db2.gz YDGGRWNRBPOKPU-UHFFFAOYSA-N 0 1 220.272 2.382 20 0 BEADMN Cc1cnc(NC(C)(C)CCO)c2[nH]ccc21 ZINC001167741059 960388351 /nfs/dbraw/zinc/38/83/51/960388351.db2.gz NTKOEQNCCJFOGK-UHFFFAOYSA-N 0 1 233.315 2.444 20 0 BEADMN C[C@@H]([NH2+]Cc1occc1C(=O)[O-])c1ccccn1 ZINC000235216010 960398296 /nfs/dbraw/zinc/39/82/96/960398296.db2.gz VEHWBVPHZKHHIZ-SECBINFHSA-N 0 1 246.266 2.224 20 0 BEADMN c1snnc1CN[C@H]1CCCC2(CC2)C1 ZINC000695760227 960427698 /nfs/dbraw/zinc/42/76/98/960427698.db2.gz MRIBWMWGCHKXGQ-VIFPVBQESA-N 0 1 223.345 2.351 20 0 BEADMN Fc1ccc2nc(-c3ccncn3)[nH]c2c1 ZINC000396997631 960432989 /nfs/dbraw/zinc/43/29/89/960432989.db2.gz IQHUNHYFRUZOGX-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001140590133 960443460 /nfs/dbraw/zinc/44/34/60/960443460.db2.gz XSVKJDXWYTWFFV-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN CCCCCN(C)Cc1ccnc(OC)n1 ZINC001140694814 960503690 /nfs/dbraw/zinc/50/36/90/960503690.db2.gz CVKMFRODFOJXML-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN CN(Cc1cc[nH]c1)Cc1cnc2ccccn12 ZINC001140705095 960511180 /nfs/dbraw/zinc/51/11/80/960511180.db2.gz XNRADRWDIOQFQW-UHFFFAOYSA-N 0 1 240.310 2.294 20 0 BEADMN Oc1cccc2c1CCN(Cc1cc[nH]c1)C2 ZINC001140704884 960514583 /nfs/dbraw/zinc/51/45/83/960514583.db2.gz MUORZZARCDUATB-UHFFFAOYSA-N 0 1 228.295 2.279 20 0 BEADMN CC[C@H](C)NC(=S)Nc1ncc(F)cc1O ZINC001200474254 960530077 /nfs/dbraw/zinc/53/00/77/960530077.db2.gz JEOBSCWBOOJPMC-LURJTMIESA-N 0 1 243.307 2.011 20 0 BEADMN Cc1cc(CN2Cc3ccccc3C2)n[nH]1 ZINC001203066368 960567360 /nfs/dbraw/zinc/56/73/60/960567360.db2.gz BDXPSVDNOBJUPJ-UHFFFAOYSA-N 0 1 213.284 2.234 20 0 BEADMN CO[C@@H](c1nc([C@@H](N)C(C)C)no1)C1CCC1 ZINC000692753244 960594663 /nfs/dbraw/zinc/59/46/63/960594663.db2.gz UJMIYNVRWQDDRF-VHSXEESVSA-N 0 1 239.319 2.213 20 0 BEADMN Cc1cc(CN2CC(F)(F)C[C@@]2(C)CF)n[nH]1 ZINC001203069704 960614153 /nfs/dbraw/zinc/61/41/53/960614153.db2.gz BANVADSXPBXCJM-JTQLQIEISA-N 0 1 247.264 2.287 20 0 BEADMN Cc1cc(CN(C)Cc2cccc(F)c2)n[nH]1 ZINC001203070118 960620098 /nfs/dbraw/zinc/62/00/98/960620098.db2.gz HXLBEBMFFHZTQM-UHFFFAOYSA-N 0 1 233.290 2.489 20 0 BEADMN Cc1cc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)n[nH]1 ZINC001203070364 960627108 /nfs/dbraw/zinc/62/71/08/960627108.db2.gz QHWHZMTZSFRLQA-STQMWFEESA-N 0 1 247.342 2.052 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)n[nH]1 ZINC001203070544 960627887 /nfs/dbraw/zinc/62/78/87/960627887.db2.gz YLXORTCFSJKQSA-SNVBAGLBSA-N 0 1 207.321 2.340 20 0 BEADMN Cc1c[nH]c(CN2CCOC[C@H]2C(C)C)c1C ZINC001140862884 960650039 /nfs/dbraw/zinc/65/00/39/960650039.db2.gz PXFGQCSMJUFROD-AWEZNQCLSA-N 0 1 236.359 2.488 20 0 BEADMN COc1ccc(CN2C[C@H](F)C[C@H]2C)cc1N ZINC001140894817 960675138 /nfs/dbraw/zinc/67/51/38/960675138.db2.gz QDJNGMHQRTXOHT-MWLCHTKSSA-N 0 1 238.306 2.210 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2c2ccncc2)n[nH]1 ZINC001203076237 960676054 /nfs/dbraw/zinc/67/60/54/960676054.db2.gz ZPARPQBUVYTXTH-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN CSC1CCN(Cc2cc(C)n[nH]2)CC1 ZINC001203076989 960684809 /nfs/dbraw/zinc/68/48/09/960684809.db2.gz MXRIHHFZBPFWRU-UHFFFAOYSA-N 0 1 225.361 2.046 20 0 BEADMN Cc1cc(CN(C)Cc2ccsc2)n[nH]1 ZINC001203076862 960689789 /nfs/dbraw/zinc/68/97/89/960689789.db2.gz KNFURQWUCAXHQN-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3ccccn3)C2)[nH]n1 ZINC001203077088 960689993 /nfs/dbraw/zinc/68/99/93/960689993.db2.gz RLKKUMZWMFHGNE-GFCCVEGCSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCCC3)n[nH]1 ZINC001203082131 960770350 /nfs/dbraw/zinc/77/03/50/960770350.db2.gz LSPHZKLWHCNXQI-UHFFFAOYSA-N 0 1 219.332 2.484 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1ncco1 ZINC001141008642 960809697 /nfs/dbraw/zinc/80/96/97/960809697.db2.gz HCKKRZCJACEITO-NSHDSACASA-N 0 1 224.304 2.066 20 0 BEADMN c1cn2ccc(CN3CC4(CCC4)C3)cc2n1 ZINC001141046945 960832586 /nfs/dbraw/zinc/83/25/86/960832586.db2.gz AFONLRBFKFFHCX-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN CCCCc1ncc(CN2C[C@@H](F)[C@H](F)C2)[nH]1 ZINC001141067748 960857385 /nfs/dbraw/zinc/85/73/85/960857385.db2.gz MMVSXICCLLXNKG-GHMZBOCLSA-N 0 1 243.301 2.244 20 0 BEADMN CCCCc1ncc(CN2CCC(=O)C[C@H]2C)[nH]1 ZINC001141068114 960858447 /nfs/dbraw/zinc/85/84/47/960858447.db2.gz YULLDXBGXIWNAU-LLVKDONJSA-N 0 1 249.358 2.306 20 0 BEADMN CCCCc1ncc(CN(C2CC2)C2COC2)[nH]1 ZINC001141072606 960862179 /nfs/dbraw/zinc/86/21/79/960862179.db2.gz WHCWMMCNWKBIIF-UHFFFAOYSA-N 0 1 249.358 2.116 20 0 BEADMN COC(C)(C)[C@H]1CCCN1Cc1cocn1 ZINC001141129316 960877396 /nfs/dbraw/zinc/87/73/96/960877396.db2.gz GNSMNOLYFPQWOE-LLVKDONJSA-N 0 1 224.304 2.064 20 0 BEADMN Cc1ccc(CN2CC(C3COC3)C2)c(F)c1 ZINC001141191835 960934829 /nfs/dbraw/zinc/93/48/29/960934829.db2.gz WBFUKBRGPIPSOV-UHFFFAOYSA-N 0 1 235.302 2.212 20 0 BEADMN CCCCC[C@@H](OCc1nn[nH]n1)C(C)C ZINC001223026960 960949262 /nfs/dbraw/zinc/94/92/62/960949262.db2.gz KLNORKZPUZVUIQ-SNVBAGLBSA-N 0 1 226.324 2.321 20 0 BEADMN CCCC[C@H](CCC)OCc1nn[nH]n1 ZINC001223027041 960953296 /nfs/dbraw/zinc/95/32/96/960953296.db2.gz LRRKCMDNPDNZIW-VIFPVBQESA-N 0 1 212.297 2.075 20 0 BEADMN CCCCCN(C)Cc1cn2c(n1)COCC2 ZINC001141525194 961087102 /nfs/dbraw/zinc/08/71/02/961087102.db2.gz HVWTYENQSYSZFA-UHFFFAOYSA-N 0 1 237.347 2.035 20 0 BEADMN C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000252184371 961264979 /nfs/dbraw/zinc/26/49/79/961264979.db2.gz QOOOTBCGQUITLF-IJLUTSLNSA-N 0 1 225.332 2.362 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252594686 961276917 /nfs/dbraw/zinc/27/69/17/961276917.db2.gz GTOLSLVGJYJFKD-KOLCDFICSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000257700275 961345379 /nfs/dbraw/zinc/34/53/79/961345379.db2.gz XUKCVSGGYVQJOO-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2[nH]cnc2C(C)(C)C)C1 ZINC001142235342 961365564 /nfs/dbraw/zinc/36/55/64/961365564.db2.gz SQCIDWNDGFRYSC-LLVKDONJSA-N 0 1 249.358 2.118 20 0 BEADMN CC1CN(Cc2ccc3c(c2)OCCCO3)C1 ZINC001142250318 961373892 /nfs/dbraw/zinc/37/38/92/961373892.db2.gz BNPHFBSDVLYSNS-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN COCOCCc1nc2ccc(Cl)cc2[nH]1 ZINC001250591185 1169788096 /nfs/dbraw/zinc/78/80/96/1169788096.db2.gz DHJVSLXYXIJDGX-UHFFFAOYSA-N 0 1 240.690 2.379 20 0 BEADMN CCN(Cc1cnc(Cl)nc1NC)C1CC1 ZINC001142478662 961456364 /nfs/dbraw/zinc/45/63/64/961456364.db2.gz YOYRBBBOHWCANK-UHFFFAOYSA-N 0 1 240.738 2.156 20 0 BEADMN C[C@H]1CC(=O)CCN1Cc1cccc2nc[nH]c21 ZINC001142673043 961587306 /nfs/dbraw/zinc/58/73/06/961587306.db2.gz WOSRRNFEGCMCKG-JTQLQIEISA-N 0 1 243.310 2.116 20 0 BEADMN C[C@@H]1CN(Cc2cccc3[nH]cnc32)[C@H](C)CO1 ZINC001142693188 961628948 /nfs/dbraw/zinc/62/89/48/961628948.db2.gz WBOQMOWNMZAXGP-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2[nH]cnc21 ZINC001142696085 961638499 /nfs/dbraw/zinc/63/84/99/961638499.db2.gz HBOMALOXISUXKR-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2nc[nH]c21 ZINC001142696085 961638511 /nfs/dbraw/zinc/63/85/11/961638511.db2.gz HBOMALOXISUXKR-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1cccc2[nH]cnc21 ZINC001142696085 961638526 /nfs/dbraw/zinc/63/85/26/961638526.db2.gz HBOMALOXISUXKR-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@H](O)CC2)s1 ZINC001139808657 961666486 /nfs/dbraw/zinc/66/64/86/961666486.db2.gz AMJJTMPTNHWGMX-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNc1ccnc(N)n1 ZINC000087824694 961751898 /nfs/dbraw/zinc/75/18/98/961751898.db2.gz VXXZHZKLNITHAE-NXEZZACHSA-N 0 1 220.320 2.297 20 0 BEADMN F[C@H]1CCCN(Cc2ccnc3[nH]ccc32)C1 ZINC001142879229 961810803 /nfs/dbraw/zinc/81/08/03/961810803.db2.gz NMPGEPUJTHPTAX-NSHDSACASA-N 0 1 233.290 2.497 20 0 BEADMN Clc1ccnc(CN[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167910644 961817581 /nfs/dbraw/zinc/81/75/81/961817581.db2.gz VUQHMZNQVXQTPY-AYMMMOKOSA-N 0 1 223.707 2.018 20 0 BEADMN C[C@]1(CF)CCN(Cc2ccc(F)nc2)C1 ZINC001137735065 961822541 /nfs/dbraw/zinc/82/25/41/961822541.db2.gz ALIIICSXDUKBQZ-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN Cc1ccccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001225216482 961876074 /nfs/dbraw/zinc/87/60/74/961876074.db2.gz GSGNYXYPHWBUPJ-LNSITVRQSA-N 0 1 245.322 2.178 20 0 BEADMN F[C@@H]1CN(Cc2cccc3n[nH]cc32)C[C@@H]2C[C@@H]21 ZINC001143089699 961876779 /nfs/dbraw/zinc/87/67/79/961876779.db2.gz ZGBMIPBAMBYZQL-GMXVVIOVSA-N 0 1 245.301 2.353 20 0 BEADMN C[C@@H]1CN(Cc2cccc3n[nH]cc32)[C@H](C)CO1 ZINC001143098910 961879142 /nfs/dbraw/zinc/87/91/42/961879142.db2.gz HVGCUQBXQYLFQK-GHMZBOCLSA-N 0 1 245.326 2.172 20 0 BEADMN CN(Cc1ccno1)Cc1cccc2n[nH]cc21 ZINC001143099888 961881012 /nfs/dbraw/zinc/88/10/12/961881012.db2.gz ZCKYICXYHRVTHZ-UHFFFAOYSA-N 0 1 242.282 2.183 20 0 BEADMN Cc1cccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2N3C)c1 ZINC001225239252 961901563 /nfs/dbraw/zinc/90/15/63/961901563.db2.gz AKOBSZXUJAIQEA-GLQYFDAESA-N 0 1 245.322 2.178 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CC[C@@H](CC)C1 ZINC000092899254 961946173 /nfs/dbraw/zinc/94/61/73/961946173.db2.gz UIJVUECSNZUHTL-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)(N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000894148970 961968557 /nfs/dbraw/zinc/96/85/57/961968557.db2.gz SFKPETSWIOXYPD-FBDQPXRJSA-N 0 1 245.313 2.433 20 0 BEADMN Cc1ncoc1CNCCOc1ccccc1 ZINC000894148181 961970778 /nfs/dbraw/zinc/97/07/78/961970778.db2.gz WLGUXYJHRKYZOR-UHFFFAOYSA-N 0 1 232.283 2.152 20 0 BEADMN CC(C)Oc1ccnc(CN[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167923426 961984658 /nfs/dbraw/zinc/98/46/58/961984658.db2.gz CZIAZDWSYSHBOC-GDNZZTSVSA-N 0 1 247.342 2.152 20 0 BEADMN CC(C)Oc1ccnc(CN[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC001167923427 961986618 /nfs/dbraw/zinc/98/66/18/961986618.db2.gz CZIAZDWSYSHBOC-ZSBIGDGJSA-N 0 1 247.342 2.152 20 0 BEADMN Cc1csc(CN2CCC3(COC3)CC2)n1 ZINC001204375159 962107157 /nfs/dbraw/zinc/10/71/57/962107157.db2.gz PQGXTKKQFXNYKJ-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN Cc1cccc2nc(C(=O)N[C@@H](C)C3CC3)[nH]c21 ZINC001151992438 962364881 /nfs/dbraw/zinc/36/48/81/962364881.db2.gz MYVGQYATJGYIKZ-VIFPVBQESA-N 0 1 243.310 2.400 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccc(O)cn1 ZINC000132730011 962477538 /nfs/dbraw/zinc/47/75/38/962477538.db2.gz CSEZTPSWURDJJB-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CN(Cc1cscn1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167951214 962659406 /nfs/dbraw/zinc/65/94/06/962659406.db2.gz HZYLFWKNAGCYRO-DOFRTFSJSA-N 0 1 208.330 2.373 20 0 BEADMN CC[C@H]1CCC[C@@]1(C)C(=O)Nc1nnc(C)[nH]1 ZINC000878929016 962782149 /nfs/dbraw/zinc/78/21/49/962782149.db2.gz BGFHLJXYDWEXMU-JOYOIKCWSA-N 0 1 236.319 2.268 20 0 BEADMN CC[C@@H](C)CC(=O)N(C)C1CN(CC(C)C)C1 ZINC001269781423 962793143 /nfs/dbraw/zinc/79/31/43/962793143.db2.gz UWJXYKRHKADHIN-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CN(Cc1cc(Cl)ccc1N)[C@H]1CCOC1 ZINC000134639333 962811629 /nfs/dbraw/zinc/81/16/29/962811629.db2.gz MBCPHINCWLJQOO-NSHDSACASA-N 0 1 240.734 2.143 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2COC[C@H]2C)n1 ZINC000688050548 962845094 /nfs/dbraw/zinc/84/50/94/962845094.db2.gz UNAGXSCYGFIFOX-JEZHCXPESA-N 0 1 226.345 2.137 20 0 BEADMN CCC=CNC(=O)c1n[nH]c2cccc(F)c21 ZINC001155289899 963043474 /nfs/dbraw/zinc/04/34/74/963043474.db2.gz CONUIJUPJQHTKU-XVNBXDOJSA-N 0 1 233.246 2.356 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCCO[C@H](CC)C1 ZINC000304158313 963116435 /nfs/dbraw/zinc/11/64/35/963116435.db2.gz KLLNZINATKAWBM-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928452518 963134252 /nfs/dbraw/zinc/13/42/52/963134252.db2.gz IDHXUYLUKVUKGX-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cnc(N[C@H]2CN3CCC2CC3)c(F)c1 ZINC001155662486 963147285 /nfs/dbraw/zinc/14/72/85/963147285.db2.gz GNQGSDDUEWKDPO-LBPRGKRZSA-N 0 1 235.306 2.035 20 0 BEADMN Cc1cc(F)cc(CN2CC3(C2)CCOC3)c1 ZINC001143580277 963148387 /nfs/dbraw/zinc/14/83/87/963148387.db2.gz CMFAJLONHMCSQQ-UHFFFAOYSA-N 0 1 235.302 2.356 20 0 BEADMN CSc1cccnc1N[C@H]1CN2CCC1CC2 ZINC001155667700 963149318 /nfs/dbraw/zinc/14/93/18/963149318.db2.gz MQSVMNXAGKCLCA-NSHDSACASA-N 0 1 249.383 2.310 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)Cc1oncc1C(=O)[O-] ZINC000304601877 963151013 /nfs/dbraw/zinc/15/10/13/963151013.db2.gz MKEDLCBUHORJPF-SECBINFHSA-N 0 1 240.303 2.241 20 0 BEADMN Cc1ccsc1CN1CCC(F)(F)[C@@H](N)C1 ZINC001206658409 963160017 /nfs/dbraw/zinc/16/00/17/963160017.db2.gz XPZJPGBPPWERED-JTQLQIEISA-N 0 1 246.326 2.225 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1cccc2cncn21 ZINC001155800349 963172117 /nfs/dbraw/zinc/17/21/17/963172117.db2.gz XHNWKBMOGKYRIC-GFCCVEGCSA-N 0 1 241.294 2.007 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC(C)=C(C)C1 ZINC000307006749 963207468 /nfs/dbraw/zinc/20/74/68/963207468.db2.gz FRMUONMRJBQPQV-RMKNXTFCSA-N 0 1 209.289 2.059 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001143586334 963238729 /nfs/dbraw/zinc/23/87/29/963238729.db2.gz XLEBVANITRXVBN-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN COc1ccnc(N2C[C@@H](C)CC23CC3)c1 ZINC001156401731 963330940 /nfs/dbraw/zinc/33/09/40/963330940.db2.gz KKWTVZBBFAUHLY-JTQLQIEISA-N 0 1 218.300 2.469 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000309722672 963368190 /nfs/dbraw/zinc/36/81/90/963368190.db2.gz CEYGNGGVLDGOQN-UHFFFAOYSA-N 0 1 221.300 2.328 20 0 BEADMN Cc1ccc(NCc2cncnc2)nc1C ZINC001156572264 963388474 /nfs/dbraw/zinc/38/84/74/963388474.db2.gz HVKBSXFETRBUAR-UHFFFAOYSA-N 0 1 214.272 2.101 20 0 BEADMN C[C@@H]1CCN(Cc2cscn2)CC[C@@]1(C)O ZINC001137591379 963436678 /nfs/dbraw/zinc/43/66/78/963436678.db2.gz OHXFZXOBJHKNEA-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN C/C(=C\C(=O)[O-])Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000311236251 963471288 /nfs/dbraw/zinc/47/12/88/963471288.db2.gz WJDLGAUWJAAPOX-BDMRALOESA-N 0 1 248.326 2.285 20 0 BEADMN CN(Cc1cccnc1Cl)C1CCOCC1 ZINC000052709315 963518036 /nfs/dbraw/zinc/51/80/36/963518036.db2.gz VAUZCSGFAKDAPQ-UHFFFAOYSA-N 0 1 240.734 2.346 20 0 BEADMN Cc1cc[nH]c1C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001157125682 963536947 /nfs/dbraw/zinc/53/69/47/963536947.db2.gz YOIHZHIMLQXMQP-UHFFFAOYSA-N 0 1 246.314 2.100 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1cccnc1 ZINC001227601344 963542490 /nfs/dbraw/zinc/54/24/90/963542490.db2.gz XMMQLBCENKGTBC-QMMMGPOBSA-N 0 1 248.311 2.004 20 0 BEADMN CC[C@@H](C)Nc1nc(C)cc(N(C)CC)n1 ZINC001157230479 963557126 /nfs/dbraw/zinc/55/71/26/963557126.db2.gz FKMDFAWWNREOEH-SECBINFHSA-N 0 1 222.336 2.452 20 0 BEADMN CC(C)=CC(=O)Nc1ccc2cncn2c1 ZINC001157388538 963591147 /nfs/dbraw/zinc/59/11/47/963591147.db2.gz IBULARQMKBIFFJ-UHFFFAOYSA-N 0 1 215.256 2.239 20 0 BEADMN C[C@@H]1CC[C@H](Oc2[nH]c(=O)nc3cc[nH]c32)C1 ZINC001227806427 963594934 /nfs/dbraw/zinc/59/49/34/963594934.db2.gz JFAKTQOTENFXBE-SFYZADRCSA-N 0 1 233.271 2.231 20 0 BEADMN CC(=O)[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001168077482 963618980 /nfs/dbraw/zinc/61/89/80/963618980.db2.gz ISCICZGAGIAJAX-DFBGVHRSSA-N 0 1 247.338 2.474 20 0 BEADMN Cc1ccc(NCc2ccc(=O)[nH]c2)nc1C ZINC001157511655 963639541 /nfs/dbraw/zinc/63/95/41/963639541.db2.gz CUHXAGGIAVISNZ-UHFFFAOYSA-N 0 1 229.283 2.411 20 0 BEADMN CC(F)(F)C(C)(C)CNCc1ccon1 ZINC000697145910 963759680 /nfs/dbraw/zinc/75/96/80/963759680.db2.gz FORUODVCAQWUKN-UHFFFAOYSA-N 0 1 218.247 2.446 20 0 BEADMN Cc1cc(Nc2cncn2C)cc(C)c1O ZINC001211905893 963761890 /nfs/dbraw/zinc/76/18/90/963761890.db2.gz OXSYUIIKUVBUGE-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nc(O)cc(=O)[nH]2)C[C@@H]1C ZINC001228388767 963771387 /nfs/dbraw/zinc/77/13/87/963771387.db2.gz MWFLREPZBXAJMY-VGMNWLOBSA-N 0 1 238.287 2.091 20 0 BEADMN Cc1nc2cnc(NCCC3CCC3)nc2[nH]1 ZINC001158052379 963801285 /nfs/dbraw/zinc/80/12/85/963801285.db2.gz ZOJKDGDHSFDKKR-UHFFFAOYSA-N 0 1 231.303 2.215 20 0 BEADMN Cc1cnc(CN)n1-c1cc2ccccc2cn1 ZINC001158162724 963815070 /nfs/dbraw/zinc/81/50/70/963815070.db2.gz FCYFHVQMAXYIDQ-UHFFFAOYSA-N 0 1 238.294 2.188 20 0 BEADMN C[C@@H]1C[C@@H](N(C)Cc2nccs2)CCO1 ZINC001168136914 963833524 /nfs/dbraw/zinc/83/35/24/963833524.db2.gz MABDXRWCWHFENA-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1ccc(N[C@H]2CCC[C@@H](O)C2)nc1C ZINC001158364558 963853978 /nfs/dbraw/zinc/85/39/78/963853978.db2.gz CHOLXEIPGCAPAI-NWDGAFQWSA-N 0 1 220.316 2.414 20 0 BEADMN Cc1cc(NC2CC2)nc(NCC(C)C)n1 ZINC000084493609 963870254 /nfs/dbraw/zinc/87/02/54/963870254.db2.gz DLRHYRLTNKZMPK-UHFFFAOYSA-N 0 1 220.320 2.427 20 0 BEADMN C[C@@H]1CN(CC=C(Cl)Cl)C[C@H](C)[C@H]1O ZINC000697233224 963873149 /nfs/dbraw/zinc/87/31/49/963873149.db2.gz QKEFGSVDHIESBX-MBTKJCJQSA-N 0 1 238.158 2.254 20 0 BEADMN Cc1ncnc(C)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228855200 963900633 /nfs/dbraw/zinc/90/06/33/963900633.db2.gz YPHWOOGIKBVRFR-CYBMUJFWSA-N 0 1 249.358 2.345 20 0 BEADMN C[C@H](Oc1nnc2c[nH]ccc1-2)c1ccccn1 ZINC001228990277 963937661 /nfs/dbraw/zinc/93/76/61/963937661.db2.gz OSCILHRISGQFJX-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN Clc1[nH]nc(N2C3CCC2CC3)c2ncnc1-2 ZINC001159082684 963991399 /nfs/dbraw/zinc/99/13/99/963991399.db2.gz PDKQOQWSIRIISX-UHFFFAOYSA-N 0 1 249.705 2.138 20 0 BEADMN CC1CCC(N2CCn3cncc3C2)CC1 ZINC001168220295 963998099 /nfs/dbraw/zinc/99/80/99/963998099.db2.gz VELOWOOANSDLOZ-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CCCC=Nc1ncccc1C(=O)OC ZINC001159662686 964138454 /nfs/dbraw/zinc/13/84/54/964138454.db2.gz ZKUZEPWXASFNKY-QPJJXVBHSA-N 0 1 206.245 2.204 20 0 BEADMN CCO/C=C\C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001159705234 964159187 /nfs/dbraw/zinc/15/91/87/964159187.db2.gz SUPQPYQYNPYHAE-SREVYHEPSA-N 0 1 245.282 2.360 20 0 BEADMN CSCC[N@@H+](C)Cc1cc(F)c([O-])c(F)c1 ZINC000093509709 964160930 /nfs/dbraw/zinc/16/09/30/964160930.db2.gz WIMACCVDRZBFOV-UHFFFAOYSA-N 0 1 247.310 2.465 20 0 BEADMN CC(=O)Oc1ccc(Nc2c(C)ncn2C)cc1 ZINC001212073427 964215060 /nfs/dbraw/zinc/21/50/60/964215060.db2.gz ZFHBWDFYJOFTFV-UHFFFAOYSA-N 0 1 245.282 2.397 20 0 BEADMN C[C@H]1CC(F)(F)CCN1Cc1ccc(N)nc1 ZINC000697592308 964333280 /nfs/dbraw/zinc/33/32/80/964333280.db2.gz PTOFAJPNZWGRFR-VIFPVBQESA-N 0 1 241.285 2.283 20 0 BEADMN O=c1ccc(CNc2ccc3nc[nH]c3c2)c[nH]1 ZINC001168305028 964402320 /nfs/dbraw/zinc/40/23/20/964402320.db2.gz RMAWYJBFTPQTRY-UHFFFAOYSA-N 0 1 240.266 2.276 20 0 BEADMN CC(C)N1CC(Nc2nccc3ccncc32)C1 ZINC001168311734 964411482 /nfs/dbraw/zinc/41/14/82/964411482.db2.gz MDHFHAVNYHTHQH-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CC(C)N1CC(Nc2cncc(C3CC3)c2)C1 ZINC001168314478 964419952 /nfs/dbraw/zinc/41/99/52/964419952.db2.gz ODQCWGIOZOGQNS-UHFFFAOYSA-N 0 1 231.343 2.464 20 0 BEADMN CC(C)N1CC(Nc2cccc3c2CCN3)C1 ZINC001168314652 964421323 /nfs/dbraw/zinc/42/13/23/964421323.db2.gz PPMVSVOVGZAJAE-UHFFFAOYSA-N 0 1 231.343 2.159 20 0 BEADMN CCCN(CCC)C(=O)c1[nH]ncc1Cl ZINC001160860695 964423240 /nfs/dbraw/zinc/42/32/40/964423240.db2.gz AUOCTUFYKQTDPF-UHFFFAOYSA-N 0 1 229.711 2.325 20 0 BEADMN Cc1c2cc[nH]c2ncc1NC1CN(C(C)C)C1 ZINC001168315156 964424378 /nfs/dbraw/zinc/42/43/78/964424378.db2.gz HZIBFOBUXGFQLI-UHFFFAOYSA-N 0 1 244.342 2.327 20 0 BEADMN CC(C)N1CC(Nc2cnc3ccn(C)c3c2)C1 ZINC001168316383 964431512 /nfs/dbraw/zinc/43/15/12/964431512.db2.gz XNEABYWNYCIOFO-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CC(C)N1CC(Nc2ccc3c(c2)NCC3)C1 ZINC001168317486 964437301 /nfs/dbraw/zinc/43/73/01/964437301.db2.gz NQOPLHDGGBUXTB-UHFFFAOYSA-N 0 1 231.343 2.159 20 0 BEADMN CC(C)N1CC(Nc2cccc3cnncc32)C1 ZINC001168317917 964437874 /nfs/dbraw/zinc/43/78/74/964437874.db2.gz VKZLETHTFUQFNH-UHFFFAOYSA-N 0 1 242.326 2.134 20 0 BEADMN CCOc1ccnc(N[C@H](CC)COC)c1 ZINC001160937579 964450478 /nfs/dbraw/zinc/45/04/78/964450478.db2.gz WJUFXJZFKBKXEH-SNVBAGLBSA-N 0 1 224.304 2.317 20 0 BEADMN CCC1(Nc2ccc3[nH]cnc3c2C)COC1 ZINC001168323548 964452199 /nfs/dbraw/zinc/45/21/99/964452199.db2.gz IMIYVBQHOLMFTH-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN CCC(=O)Nc1cc(NC2(CC)COC2)ccn1 ZINC001168325233 964452324 /nfs/dbraw/zinc/45/23/24/964452324.db2.gz KUNKHLJEQCQXAP-UHFFFAOYSA-N 0 1 249.314 2.021 20 0 BEADMN CCC1(Nc2ccc3[nH]c(C)nc3c2)COC1 ZINC001168323732 964452903 /nfs/dbraw/zinc/45/29/03/964452903.db2.gz LILOGXOVUJLAAH-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN CCC1(CNc2cccn3cncc23)COC1 ZINC001168330981 964464706 /nfs/dbraw/zinc/46/47/06/964464706.db2.gz SBHMEAYWCYNGRS-UHFFFAOYSA-N 0 1 231.299 2.173 20 0 BEADMN Cc1cc2nccn2cc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168344498 964485709 /nfs/dbraw/zinc/48/57/09/964485709.db2.gz PYYXSRXRTDBDCI-VDISTLRHSA-N 0 1 245.326 2.216 20 0 BEADMN Nc1cccc2c1cnn2-c1cccc2nc[nH]c21 ZINC001213031861 964570706 /nfs/dbraw/zinc/57/07/06/964570706.db2.gz PUUUNMGGPJRJFM-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Nc1cccc2ncn(-c3cccc4nc[nH]c43)c21 ZINC001213032159 964582728 /nfs/dbraw/zinc/58/27/28/964582728.db2.gz WCHPIMZGGKSXIG-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cc1cnc(NCc2cncn2C(C)C)c(N)c1 ZINC001161568795 964644245 /nfs/dbraw/zinc/64/42/45/964644245.db2.gz CFHWRLNBUFKDTA-UHFFFAOYSA-N 0 1 245.330 2.362 20 0 BEADMN Cc1nc2cncc(NCC(F)(F)F)c2[nH]1 ZINC001161632567 964654236 /nfs/dbraw/zinc/65/42/36/964654236.db2.gz GLWXMAZKLGBMGN-UHFFFAOYSA-N 0 1 230.193 2.241 20 0 BEADMN CCOc1ccnc(NCCc2cnoc2)c1 ZINC001161698831 964694672 /nfs/dbraw/zinc/69/46/72/964694672.db2.gz IEJICUQNMZAVTR-UHFFFAOYSA-N 0 1 233.271 2.123 20 0 BEADMN Cc1ccc(C)c(N[C@@H](CO)C(C)C)n1 ZINC001161736655 964722571 /nfs/dbraw/zinc/72/25/71/964722571.db2.gz DQDARZZEXAIWNR-NSHDSACASA-N 0 1 208.305 2.127 20 0 BEADMN CC(C)OCCNc1cnccc1/C=C/N(C)C ZINC001161795930 964761083 /nfs/dbraw/zinc/76/10/83/964761083.db2.gz NGWQWSYTXWWYPR-RMKNXTFCSA-N 0 1 249.358 2.451 20 0 BEADMN Cc1nc2cncc(NCCOC(C)C)c2[nH]1 ZINC001161795693 964761435 /nfs/dbraw/zinc/76/14/35/964761435.db2.gz GLFZQLACBKCSGM-UHFFFAOYSA-N 0 1 234.303 2.103 20 0 BEADMN CC(C)(CNc1ncc2c(n1)CNC2)CC1CC1 ZINC001162121638 964849063 /nfs/dbraw/zinc/84/90/63/964849063.db2.gz BFAPALYWFDTSPE-UHFFFAOYSA-N 0 1 246.358 2.318 20 0 BEADMN CCOC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 ZINC000250473157 964877543 /nfs/dbraw/zinc/87/75/43/964877543.db2.gz MVPBXSJJKIEXGS-RYUDHWBXSA-N 0 1 225.332 2.062 20 0 BEADMN c1nc2c(nccc2NCCC2CCOCC2)[nH]1 ZINC001162221329 964878555 /nfs/dbraw/zinc/87/85/55/964878555.db2.gz OBBOZLNROXNJDC-UHFFFAOYSA-N 0 1 246.314 2.187 20 0 BEADMN Cc1ccnc(NC2CN(C(C)(C)C)C2)c1 ZINC001162220218 964879879 /nfs/dbraw/zinc/87/98/79/964879879.db2.gz MDRRYIYCWNLJCU-UHFFFAOYSA-N 0 1 219.332 2.285 20 0 BEADMN CC(C)(C)N1CC(Nc2cc(C3CC3)ncn2)C1 ZINC001162226816 964884383 /nfs/dbraw/zinc/88/43/83/964884383.db2.gz XCOMWIDVOODNMU-UHFFFAOYSA-N 0 1 246.358 2.249 20 0 BEADMN O[C@@H](CNc1ccc2nc[nH]c2c1)c1ccco1 ZINC001162263422 964893029 /nfs/dbraw/zinc/89/30/29/964893029.db2.gz VKJBFCJGPHDXGZ-LBPRGKRZSA-N 0 1 243.266 2.301 20 0 BEADMN C[C@@]1(O)CC[C@@H](Nc2cccc3[nH]nnc32)CC1 ZINC001162360759 964942445 /nfs/dbraw/zinc/94/24/45/964942445.db2.gz OQZFFYYXZOHKIA-GMZHKTEUSA-N 0 1 246.314 2.063 20 0 BEADMN CCCOC(=O)CNc1cc2[nH]ccc2c(C)n1 ZINC001162491025 964999503 /nfs/dbraw/zinc/99/95/03/964999503.db2.gz QDSJVBSJZSJVKW-UHFFFAOYSA-N 0 1 247.298 2.236 20 0 BEADMN F[C@@H]1CCCC[C@H]1Nc1nccc2nn[nH]c21 ZINC001162507553 965001488 /nfs/dbraw/zinc/00/14/88/965001488.db2.gz WAMDVGKXZUKAGQ-HTQZYQBOSA-N 0 1 235.266 2.046 20 0 BEADMN Cc1ccc(C)c(NCCC(=O)N(C)C2CC2)n1 ZINC001162624116 965077591 /nfs/dbraw/zinc/07/75/91/965077591.db2.gz PPQOJZOUZNMYMX-UHFFFAOYSA-N 0 1 247.342 2.121 20 0 BEADMN O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc(F)c1O ZINC001162679384 965112377 /nfs/dbraw/zinc/11/23/77/965112377.db2.gz QHZBTWVEFUGDQE-CMPLNLGQSA-N 0 1 249.285 2.450 20 0 BEADMN Cc1nnc(CNC2C(C)(C)C2(C)C)s1 ZINC000698270490 965170178 /nfs/dbraw/zinc/17/01/78/965170178.db2.gz FNJDQYBCGGCGNM-UHFFFAOYSA-N 0 1 225.361 2.371 20 0 BEADMN Cc1nnc(CNCCC2=CCCC2)s1 ZINC000698274600 965171993 /nfs/dbraw/zinc/17/19/93/965171993.db2.gz QLYVSSYVJUCQNF-UHFFFAOYSA-N 0 1 223.345 2.437 20 0 BEADMN Cc1ccc(O)c(Nc2ccnc(CO)c2)c1 ZINC001214220971 965326795 /nfs/dbraw/zinc/32/67/95/965326795.db2.gz WWFMWHHJYGCMKI-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN CCN(CCOC)Cc1cccc(CF)n1 ZINC001232534886 965382376 /nfs/dbraw/zinc/38/23/76/965382376.db2.gz IFBIWJSLLDPHFA-UHFFFAOYSA-N 0 1 226.295 2.019 20 0 BEADMN COC1CN([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168425712 965434215 /nfs/dbraw/zinc/43/42/15/965434215.db2.gz HFVKNTPZAGKOLY-ZDUSSCGKSA-N 0 1 235.302 2.014 20 0 BEADMN C[C@@H](Cc1cccs1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000689900129 965450635 /nfs/dbraw/zinc/45/06/35/965450635.db2.gz WHEUPMDDDDLMCZ-GXSJLCMTSA-N 0 1 239.340 2.228 20 0 BEADMN Cc1cnc(N2CCCC[C@@H]2CO)cc1C ZINC001163559453 965450831 /nfs/dbraw/zinc/45/08/31/965450831.db2.gz QJOPVQCNSJRCAG-GFCCVEGCSA-N 0 1 220.316 2.050 20 0 BEADMN C[C@@H]1COCCN1[C@H]1CCc2cc(F)ccc2C1 ZINC001168427714 965461686 /nfs/dbraw/zinc/46/16/86/965461686.db2.gz PVTLABMTCXEBNO-ABAIWWIYSA-N 0 1 249.329 2.404 20 0 BEADMN CCCN(CCOC)c1cccc(N(C)C)n1 ZINC001163641977 965489247 /nfs/dbraw/zinc/48/92/47/965489247.db2.gz DHCDGIALTPRCQP-UHFFFAOYSA-N 0 1 237.347 2.010 20 0 BEADMN CCc1cc(N[C@@H](C)CCC(=O)[O-])nc(C)[nH+]1 ZINC000088759875 965545495 /nfs/dbraw/zinc/54/54/95/965545495.db2.gz ASQNXMKGGUXYTQ-QMMMGPOBSA-N 0 1 237.303 2.013 20 0 BEADMN Nc1ccccc1CNc1ccnc2[nH]cnc21 ZINC001163890114 965619016 /nfs/dbraw/zinc/61/90/16/965619016.db2.gz QXOGCMNDNMBNMI-UHFFFAOYSA-N 0 1 239.282 2.152 20 0 BEADMN Cc1cc(C)nc(N2CCCO[C@@H](C)C2)c1 ZINC001163960586 965662092 /nfs/dbraw/zinc/66/20/92/965662092.db2.gz HHBGEUZYYQPZNT-LBPRGKRZSA-N 0 1 220.316 2.314 20 0 BEADMN Cc1cnc(N2CCCO[C@@H](C)C2)cc1C ZINC001163965933 965664304 /nfs/dbraw/zinc/66/43/04/965664304.db2.gz JDMGSNAQJDTLDH-LBPRGKRZSA-N 0 1 220.316 2.314 20 0 BEADMN Cc1cnc(N2Cc3cncnc3C2)cc1C ZINC001163986546 965684396 /nfs/dbraw/zinc/68/43/96/965684396.db2.gz PBBSBXBKCXDLJX-UHFFFAOYSA-N 0 1 226.283 2.009 20 0 BEADMN Cc1cc(NCC(=O)C(C)(C)C)cc(C)n1 ZINC001164005626 965692756 /nfs/dbraw/zinc/69/27/56/965692756.db2.gz RHNFLKQANHNPQC-UHFFFAOYSA-N 0 1 220.316 2.147 20 0 BEADMN CN(C)Cc1cccc(NC[C@@H]2CC(C)(C)O2)n1 ZINC001168452571 965751198 /nfs/dbraw/zinc/75/11/98/965751198.db2.gz IUAIEBCYLHWROC-LBPRGKRZSA-N 0 1 249.358 2.123 20 0 BEADMN Cc1cnc(N(C)C2CC(C)C2)c(N)c1 ZINC001164199554 965789240 /nfs/dbraw/zinc/78/92/40/965789240.db2.gz MDRVEAHCXDCTEW-UHFFFAOYSA-N 0 1 205.305 2.207 20 0 BEADMN CC(C)c1ncc(CNc2nccnc2F)[nH]1 ZINC001164220321 965802490 /nfs/dbraw/zinc/80/24/90/965802490.db2.gz FVRGGWPFMBYRKR-UHFFFAOYSA-N 0 1 235.266 2.074 20 0 BEADMN Cc1cnc(N2CCC[C@@H](O)[C@@H](C)C2)cc1C ZINC001164227940 965805419 /nfs/dbraw/zinc/80/54/19/965805419.db2.gz HRTJBHYIQPPHEH-QWHCGFSZSA-N 0 1 234.343 2.296 20 0 BEADMN C[C@H]1C[C@@H](CF)N(c2cccc(N(C)C)n2)C1 ZINC001164259105 965812256 /nfs/dbraw/zinc/81/22/56/965812256.db2.gz UZMXOJWRTGJSKS-QWRGUYRKSA-N 0 1 237.322 2.332 20 0 BEADMN Cc1cc(C)nc(N2[C@@H](C)CC[C@H]2CO)c1 ZINC001164304475 965833796 /nfs/dbraw/zinc/83/37/96/965833796.db2.gz DIFCSMCXKCNQLR-RYUDHWBXSA-N 0 1 220.316 2.048 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H]3CCCO[C@@H]3C2)[nH]1 ZINC001234609981 965858506 /nfs/dbraw/zinc/85/85/06/965858506.db2.gz QEPYJBKYYWSKBL-TZMCWYRMSA-N 0 1 249.358 2.027 20 0 BEADMN CCc1cc(CN2CC[C@@]3(CC3(F)F)C2)on1 ZINC001203225531 965908946 /nfs/dbraw/zinc/90/89/46/965908946.db2.gz RQFGAKJQGCUYMB-LLVKDONJSA-N 0 1 242.269 2.468 20 0 BEADMN COc1ccnc(N2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001165335804 966060542 /nfs/dbraw/zinc/06/05/42/966060542.db2.gz VUVWGXKPKBIAJX-WCQYABFASA-N 0 1 248.326 2.096 20 0 BEADMN CC(C)Oc1ccnc(N2CCCC(=O)CC2)c1 ZINC001165465676 966103604 /nfs/dbraw/zinc/10/36/04/966103604.db2.gz BHZALHGCWSWQRJ-UHFFFAOYSA-N 0 1 248.326 2.428 20 0 BEADMN COc1cncc(CNCc2ccoc2C)c1 ZINC000699833039 966117823 /nfs/dbraw/zinc/11/78/23/966117823.db2.gz ANDHEQQDXIXILA-UHFFFAOYSA-N 0 1 232.283 2.281 20 0 BEADMN COc1ccccc1N(C)C(=O)c1[nH]cnc1C ZINC001165645346 966144854 /nfs/dbraw/zinc/14/48/54/966144854.db2.gz ONUUMTYRALOUTC-UHFFFAOYSA-N 0 1 245.282 2.003 20 0 BEADMN Cc1cn[nH]c1Cn1sc2ccccc2c1=O ZINC001165826692 966164583 /nfs/dbraw/zinc/16/45/83/966164583.db2.gz PGZAJEFNZNOEEM-UHFFFAOYSA-N 0 1 245.307 2.143 20 0 BEADMN Cc1cc2ccccc2c(N2CC[C@@H](CO)C2)n1 ZINC001166550498 966298321 /nfs/dbraw/zinc/29/83/21/966298321.db2.gz SQUYIYJWTPOBHY-GFCCVEGCSA-N 0 1 242.322 2.362 20 0 BEADMN Cc1nc2ccc(Nc3cnccn3)cc2[nH]1 ZINC001213070608 966479406 /nfs/dbraw/zinc/47/94/06/966479406.db2.gz YSIGTUUKQARSOA-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(F)c(N)c1 ZINC001212334742 966497721 /nfs/dbraw/zinc/49/77/21/966497721.db2.gz OLSJQWIDOHOEHV-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN Cc1cncc(CN2CCC(C)(F)CC2)n1 ZINC001203162488 966535935 /nfs/dbraw/zinc/53/59/35/966535935.db2.gz XYDIKHYDHVTOIY-UHFFFAOYSA-N 0 1 223.295 2.109 20 0 BEADMN CC(C)(O)CC=Nc1nc(F)c(F)cc1F ZINC001203211564 966550182 /nfs/dbraw/zinc/55/01/82/966550182.db2.gz VNOCHTFNFKNCAN-ONEGZZNKSA-N 0 1 232.205 2.195 20 0 BEADMN Cc1ccc([C@@H]2CCCN2Cc2c[nH]nn2)cc1 ZINC001203206425 966552049 /nfs/dbraw/zinc/55/20/49/966552049.db2.gz ZYPODYCKDZUXQR-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@@]3(CCO3)C2)[nH]1 ZINC001203246165 966579734 /nfs/dbraw/zinc/57/97/34/966579734.db2.gz DOACDGFNIZGDBE-CQSZACIVSA-N 0 1 249.358 2.035 20 0 BEADMN Cc1nnc(C2CCN(Cc3ccco3)CC2)o1 ZINC001203283514 966594418 /nfs/dbraw/zinc/59/44/18/966594418.db2.gz IMGHZYZQWDYDMU-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CCCO[C@H]1CCN(Cc2ccco2)C1 ZINC001203278552 966600146 /nfs/dbraw/zinc/60/01/46/966600146.db2.gz XINZPZMFBULRNG-LBPRGKRZSA-N 0 1 209.289 2.281 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC001203297778 966603617 /nfs/dbraw/zinc/60/36/17/966603617.db2.gz ZVGSPRQPIPUSAO-LBPRGKRZSA-N 0 1 221.300 2.389 20 0 BEADMN Cc1ccc(CN2CCC[C@]3(CCO3)C2)o1 ZINC001203297525 966604673 /nfs/dbraw/zinc/60/46/73/966604673.db2.gz HWHMWUZUEUORHF-ZDUSSCGKSA-N 0 1 221.300 2.343 20 0 BEADMN CN1CC2(C1)CN(Cc1ccccc1Cl)C2 ZINC001203388222 966630319 /nfs/dbraw/zinc/63/03/19/966630319.db2.gz OLZWKTJVWNFRJV-UHFFFAOYSA-N 0 1 236.746 2.087 20 0 BEADMN CNc1ccc(C)cc1CNC[C@H]1CC(C)=NO1 ZINC001203521512 966672601 /nfs/dbraw/zinc/67/26/01/966672601.db2.gz GROHLDSUUOYEDK-CYBMUJFWSA-N 0 1 247.342 2.291 20 0 BEADMN CCc1nc(OC)ccc1Nc1c(C)ncn1C ZINC001203584667 966694857 /nfs/dbraw/zinc/69/48/57/966694857.db2.gz KCRIIKCLXLAUSP-UHFFFAOYSA-N 0 1 246.314 2.438 20 0 BEADMN CCC1(CC)CN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001298449689 1169895571 /nfs/dbraw/zinc/89/55/71/1169895571.db2.gz HOFNLTIDEWNALA-UHFFFAOYSA-N 0 1 249.358 2.299 20 0 BEADMN Nc1cncn1-c1cc(F)cc2[nH]ccc21 ZINC001203727176 966751372 /nfs/dbraw/zinc/75/13/72/966751372.db2.gz MYJUHKFFXJLSIX-UHFFFAOYSA-N 0 1 216.219 2.075 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H](O)[C@@H](F)C2)c(C)c1 ZINC001203741909 966760959 /nfs/dbraw/zinc/76/09/59/966760959.db2.gz DRXRBWSCDAPVFR-UONOGXRCSA-N 0 1 237.318 2.126 20 0 BEADMN c1cc(CN2CCCC2)n(C2CCC2)n1 ZINC000921511108 966765058 /nfs/dbraw/zinc/76/50/58/966765058.db2.gz AGZYLAZLSHMDMJ-UHFFFAOYSA-N 0 1 205.305 2.204 20 0 BEADMN Fc1cccc(C[N@H+]2CCCC3(COC3)C2)c1 ZINC001203784742 966777710 /nfs/dbraw/zinc/77/77/10/966777710.db2.gz BJMOJZFTBSNKML-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN COc1cc(CN2CC(C)C2)ccc1OC(C)=O ZINC001203825798 966794034 /nfs/dbraw/zinc/79/40/34/966794034.db2.gz REPUBHHCBBVCJI-UHFFFAOYSA-N 0 1 249.310 2.072 20 0 BEADMN OCCc1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001239028554 966811247 /nfs/dbraw/zinc/81/12/47/966811247.db2.gz CWBPGEDVCVWASP-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN OCCc1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001239028554 966811251 /nfs/dbraw/zinc/81/12/51/966811251.db2.gz CWBPGEDVCVWASP-UHFFFAOYSA-N 0 1 239.278 2.160 20 0 BEADMN CC(=O)[C@@H]1CCCN1Cc1ccnc2[nH]ccc21 ZINC001142887956 966833156 /nfs/dbraw/zinc/83/31/56/966833156.db2.gz RKYLYHDBHDRPIH-ZDUSSCGKSA-N 0 1 243.310 2.116 20 0 BEADMN CC1(C)CN(Cc2ccc[nH]2)CC(C)(C)O1 ZINC001204011269 966841547 /nfs/dbraw/zinc/84/15/47/966841547.db2.gz LMSLOBPIQYARMD-UHFFFAOYSA-N 0 1 222.332 2.404 20 0 BEADMN c1[nH]c2ccccc2c1CN1C[C@@H]2C[C@H]1CO2 ZINC001204042007 966864548 /nfs/dbraw/zinc/86/45/48/966864548.db2.gz HDCDTMWLZRGZTP-RYUDHWBXSA-N 0 1 228.295 2.141 20 0 BEADMN OC[C@]1(F)CCN(Cc2c[nH]c3ccccc23)C1 ZINC001204041708 966865524 /nfs/dbraw/zinc/86/55/24/966865524.db2.gz XBDGYXWPDIOMOJ-AWEZNQCLSA-N 0 1 248.301 2.074 20 0 BEADMN c1cncc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001204072493 966880844 /nfs/dbraw/zinc/88/08/44/966880844.db2.gz IKFYIVPZXLHELG-KGLIPLIRSA-N 0 1 232.327 2.083 20 0 BEADMN c1cc(CN2CCc3ccncc3C2)ccn1 ZINC001204080154 966886640 /nfs/dbraw/zinc/88/66/40/966886640.db2.gz BEYRRQFQFFKISD-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc(O)cc1 ZINC001204088973 966891459 /nfs/dbraw/zinc/89/14/59/966891459.db2.gz MFNYLRUAOSBKIH-MWLCHTKSSA-N 0 1 209.264 2.325 20 0 BEADMN CN(Cc1ccnc2ccccc12)C1(C)COC1 ZINC001204088612 966891519 /nfs/dbraw/zinc/89/15/19/966891519.db2.gz SDPAIPGKXSRVRU-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN COC(=O)c1ccc(CN2CC3(CCC3)C2)cc1 ZINC001204144246 966902621 /nfs/dbraw/zinc/90/26/21/966902621.db2.gz HNCNFYXQEVEZPH-UHFFFAOYSA-N 0 1 245.322 2.459 20 0 BEADMN O[C@H]1CCCCN(Cc2ccc(F)cc2F)C1 ZINC001204207844 966928682 /nfs/dbraw/zinc/92/86/82/966928682.db2.gz NIVWLMZEUOCWTA-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN O[C@@H]1CCCCN(Cc2cc(F)cc(F)c2)C1 ZINC001204228069 966933468 /nfs/dbraw/zinc/93/34/68/966933468.db2.gz NOMRKROBGGHYJC-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN COc1ccc(CN2CC=CC2)c(OC)c1C ZINC001204254891 966947391 /nfs/dbraw/zinc/94/73/91/966947391.db2.gz FMFLKMOYDIBXPZ-UHFFFAOYSA-N 0 1 233.311 2.384 20 0 BEADMN Cc1csc(CN2CC[C@@](C)(O)[C@@H](C)C2)n1 ZINC001204374447 966978628 /nfs/dbraw/zinc/97/86/28/966978628.db2.gz LGWGDNPBOHLZCC-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN CCn1ccc(C[N@@H+](C)CC(C)(C)C)n1 ZINC001204373799 966984766 /nfs/dbraw/zinc/98/47/66/966984766.db2.gz BWTXOYUGNOSYQZ-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN CCn1ccc(CN(C)CC(C)(C)C)n1 ZINC001204373799 966984773 /nfs/dbraw/zinc/98/47/73/966984773.db2.gz BWTXOYUGNOSYQZ-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@@H]1F ZINC001204488149 967008917 /nfs/dbraw/zinc/00/89/17/967008917.db2.gz XEHSFUVPDDEZSQ-MFKMUULPSA-N 0 1 235.302 2.411 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@](C)(CO)C2)oc1C ZINC001204535909 967034602 /nfs/dbraw/zinc/03/46/02/967034602.db2.gz AMMIAWMEXYCPRX-ZDUSSCGKSA-N 0 1 223.316 2.101 20 0 BEADMN Cc1c(CN2CCC[C@H](C(F)F)C2)cnn1C ZINC001204572771 967064345 /nfs/dbraw/zinc/06/43/45/967064345.db2.gz SKTSFHUFADARFC-JTQLQIEISA-N 0 1 243.301 2.206 20 0 BEADMN CCOC(=O)[C@H](C)c1cc(O)c(F)c(F)c1F ZINC001249857233 967097321 /nfs/dbraw/zinc/09/73/21/967097321.db2.gz UMIDUKJLSFSPPJ-RXMQYKEDSA-N 0 1 248.200 2.476 20 0 BEADMN COC(=O)c1cccc(CN2CC[C@@H]2C)c1 ZINC001204642540 967115197 /nfs/dbraw/zinc/11/51/97/967115197.db2.gz PGOWWZMAYIYWLF-JTQLQIEISA-N 0 1 219.284 2.067 20 0 BEADMN CCn1ccc(CN(C(C)C)C2CC2)n1 ZINC001204744885 967146467 /nfs/dbraw/zinc/14/64/67/967146467.db2.gz YVGXWOXEIBVGPZ-UHFFFAOYSA-N 0 1 207.321 2.276 20 0 BEADMN CCOC(=O)C(O)=Cc1coc2ccccc12 ZINC001249914719 967152654 /nfs/dbraw/zinc/15/26/54/967152654.db2.gz PFWBWUIKTZBASY-UHFFFAOYSA-N 0 1 232.235 2.108 20 0 BEADMN CC(C)(C)C(=O)Cc1ccc2cncn2c1 ZINC001249920696 967162759 /nfs/dbraw/zinc/16/27/59/967162759.db2.gz OSZVKXZSWSFCIL-UHFFFAOYSA-N 0 1 216.284 2.492 20 0 BEADMN Cc1ccc(C(=O)CO[C@H]2CCC[N@H+](C)C2)cc1 ZINC001204824928 967181430 /nfs/dbraw/zinc/18/14/30/967181430.db2.gz IXOCDXDDIHWWBL-AWEZNQCLSA-N 0 1 247.338 2.289 20 0 BEADMN Cc1ccc(C(=O)CO[C@H]2CCCN(C)C2)cc1 ZINC001204824928 967181434 /nfs/dbraw/zinc/18/14/34/967181434.db2.gz IXOCDXDDIHWWBL-AWEZNQCLSA-N 0 1 247.338 2.289 20 0 BEADMN COc1ncccc1-c1ccc2[nH]c(N)[nH+]c2c1 ZINC001239857959 967230944 /nfs/dbraw/zinc/23/09/44/967230944.db2.gz DIGHYOYMRHIRFD-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COCCOCc1ccc2nc(C)[nH]c2c1 ZINC001250003597 967262941 /nfs/dbraw/zinc/26/29/41/967262941.db2.gz VICQSZBAMQISMK-UHFFFAOYSA-N 0 1 220.272 2.034 20 0 BEADMN COCC1(CN2CC(OCC(C)C)C2)CCC1 ZINC001205000642 967282749 /nfs/dbraw/zinc/28/27/49/967282749.db2.gz NAUNTIYPBKJLIJ-UHFFFAOYSA-N 0 1 241.375 2.160 20 0 BEADMN CCOc1cc(OC)ccc1CN(C)C ZINC001250050015 967296704 /nfs/dbraw/zinc/29/67/04/967296704.db2.gz VGTNNRDVXLHPCQ-UHFFFAOYSA-N 0 1 209.289 2.156 20 0 BEADMN CC(C)OCCCNc1cccc2[nH]nnc21 ZINC001168681279 967300407 /nfs/dbraw/zinc/30/04/07/967300407.db2.gz TWPBRTBCIFWBBF-UHFFFAOYSA-N 0 1 234.303 2.185 20 0 BEADMN CCCn1cc(-c2ccc3nn[nH]c3c2)cn1 ZINC001240130854 967313724 /nfs/dbraw/zinc/31/37/24/967313724.db2.gz FPHHQTDOTVUWFG-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN CCCn1cc(-c2ccc3[nH]nnc3c2)cn1 ZINC001240130854 967313741 /nfs/dbraw/zinc/31/37/41/967313741.db2.gz FPHHQTDOTVUWFG-UHFFFAOYSA-N 0 1 227.271 2.231 20 0 BEADMN CC[C@H](C)C[C@@H](C)Nc1ncc2c(n1)CNCC2 ZINC001168692935 967394258 /nfs/dbraw/zinc/39/42/58/967394258.db2.gz HUFDIZGRVSHYSH-WDEREUQCSA-N 0 1 248.374 2.359 20 0 BEADMN Cc1nn(C)cc1-c1ccc2[nH]cnc2c1 ZINC001240301701 967523979 /nfs/dbraw/zinc/52/39/79/967523979.db2.gz UHIFZVZLXOJRMR-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN Cc1ncccc1Nc1ccnc(CO)c1 ZINC001205352171 967577197 /nfs/dbraw/zinc/57/71/97/967577197.db2.gz XOVGOBUDURXYBX-UHFFFAOYSA-N 0 1 215.256 2.021 20 0 BEADMN C#CC[N@H+](CCCCCCCC)CC(=O)[O-] ZINC000118618163 967613100 /nfs/dbraw/zinc/61/31/00/967613100.db2.gz UYZNGADTCLMORY-UHFFFAOYSA-N 0 1 225.332 2.367 20 0 BEADMN O=C([O-])C[N@H+](C/C(Cl)=C\Cl)CC1CC1 ZINC000211333454 967685629 /nfs/dbraw/zinc/68/56/29/967685629.db2.gz VXZKDFJBTIOOON-FPYGCLRLSA-N 0 1 238.114 2.102 20 0 BEADMN COCOc1cc(C)ccc1-n1cnc(C)c1N ZINC001205453042 967630927 /nfs/dbraw/zinc/63/09/27/967630927.db2.gz OQAZVXNOLGIYFG-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN C[C@@H](O)CCCNCc1c(Cl)ccnc1F ZINC001205550918 967693172 /nfs/dbraw/zinc/69/31/72/967693172.db2.gz FLEHXDZMCMQLGD-MRVPVSSYSA-N 0 1 246.713 2.125 20 0 BEADMN c1cc2cc(CN3CC4(COC4)C3)ccc2[nH]1 ZINC001205563336 967699434 /nfs/dbraw/zinc/69/94/34/967699434.db2.gz MYYHGZHQEIABQP-UHFFFAOYSA-N 0 1 228.295 2.000 20 0 BEADMN Cc1cc(Nc2ccc3cncn3c2)on1 ZINC001250322840 967702837 /nfs/dbraw/zinc/70/28/37/967702837.db2.gz OIBFQIIDKNCQHN-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN Cc1nccc(Nc2ccc3cncn3c2)n1 ZINC001250322489 967702866 /nfs/dbraw/zinc/70/28/66/967702866.db2.gz APJAQHLJQAETBH-UHFFFAOYSA-N 0 1 225.255 2.176 20 0 BEADMN CCn1nccc1Nc1ccc2cncn2c1 ZINC001250322521 967703803 /nfs/dbraw/zinc/70/38/03/967703803.db2.gz BYHDLERBGQEOAH-UHFFFAOYSA-N 0 1 227.271 2.294 20 0 BEADMN Cc1ccc(F)c(CN2CC[C@@H](F)[C@H](O)C2)c1 ZINC001205616984 967729696 /nfs/dbraw/zinc/72/96/96/967729696.db2.gz OPWIIHKIDVSPIU-CHWSQXEVSA-N 0 1 241.281 2.039 20 0 BEADMN CCCCNc1cc(O[C@H]2CCOC2)ccn1 ZINC001162207924 967738606 /nfs/dbraw/zinc/73/86/06/967738606.db2.gz YUCALRIYXNOOQM-LBPRGKRZSA-N 0 1 236.315 2.461 20 0 BEADMN Cc1ccc(F)c(CN2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001205655413 967748926 /nfs/dbraw/zinc/74/89/26/967748926.db2.gz LARCBXDVUIALLI-SMDDNHRTSA-N 0 1 235.302 2.355 20 0 BEADMN Oc1cc(CN2CCCO2)c(F)c(F)c1Cl ZINC001250387718 967806409 /nfs/dbraw/zinc/80/64/09/967806409.db2.gz MRCIZHMOALFYJI-UHFFFAOYSA-N 0 1 249.644 2.461 20 0 BEADMN Cc1cc(Cc2cnc(N(C)C)cc2C)n(C)n1 ZINC001250417531 967825585 /nfs/dbraw/zinc/82/55/85/967825585.db2.gz HBRGILNGISHGPL-UHFFFAOYSA-N 0 1 244.342 2.089 20 0 BEADMN Oc1ccc(-c2cnccn2)c(F)c1F ZINC001250442941 967832664 /nfs/dbraw/zinc/83/26/64/967832664.db2.gz PDXUURIOUFUWHV-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Cc1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001250424196 967834802 /nfs/dbraw/zinc/83/48/02/967834802.db2.gz ACICHVMQURZHDR-UHFFFAOYSA-N 0 1 201.273 2.472 20 0 BEADMN CCc1nc2cc(F)c(-n3ccnc3)cc2[nH]1 ZINC001250426475 967843643 /nfs/dbraw/zinc/84/36/43/967843643.db2.gz GIZJMGOYOTTZND-UHFFFAOYSA-N 0 1 230.246 2.450 20 0 BEADMN O=C1CC[C@H](c2nc3ccc(Cl)cc3[nH]2)N1 ZINC001250431580 967849817 /nfs/dbraw/zinc/84/98/17/967849817.db2.gz MWLPLVOSSKPUKR-MRVPVSSYSA-N 0 1 235.674 2.167 20 0 BEADMN c1c2c(cc3[nH]c(C4CCOCC4)nc13)OCC2 ZINC001250433576 967851082 /nfs/dbraw/zinc/85/10/82/967851082.db2.gz QVEOZAKVCNRLOY-UHFFFAOYSA-N 0 1 244.294 2.392 20 0 BEADMN Cc1ccc2nc([C@@H]3CCC(=O)N3)[nH]c2c1C ZINC001250431879 967851641 /nfs/dbraw/zinc/85/16/41/967851641.db2.gz UTQLVAWXXIPLQV-JTQLQIEISA-N 0 1 229.283 2.131 20 0 BEADMN CCC1(c2nc3ccc(N(C)C)cc3[nH]2)COC1 ZINC001250434705 967853483 /nfs/dbraw/zinc/85/34/83/967853483.db2.gz NMCLIFKWHBQRTO-UHFFFAOYSA-N 0 1 245.326 2.307 20 0 BEADMN CCC1(c2nc3ccc(OC)cc3[nH]2)COC1 ZINC001250434031 967853789 /nfs/dbraw/zinc/85/37/89/967853789.db2.gz FBQPXABOGCHEGU-UHFFFAOYSA-N 0 1 232.283 2.250 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c(-c3cn[nH]c3)nc21 ZINC001250440648 967862081 /nfs/dbraw/zinc/86/20/81/967862081.db2.gz NNUPXAKBNXHGOS-UHFFFAOYSA-N 0 1 238.172 2.370 20 0 BEADMN Cc1cc2[nH]c(-c3c[nH]nn3)nc2c(Cl)c1 ZINC001250445468 967870952 /nfs/dbraw/zinc/87/09/52/967870952.db2.gz IIMSDZBYRDUSCC-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302433016 967915295 /nfs/dbraw/zinc/91/52/95/967915295.db2.gz ACOQSRSLMSADHZ-UTUOFQBUSA-N 0 1 248.326 2.185 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cncn3C)nc21 ZINC001250489442 967950804 /nfs/dbraw/zinc/95/08/04/967950804.db2.gz JOWCLEAHWSWWJO-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CN(C)c1ccc2nc(-c3cncn3C)[nH]c2c1 ZINC001250489250 967951537 /nfs/dbraw/zinc/95/15/37/967951537.db2.gz DSAIGFQCEXMYBT-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN Cc1c2[nH]c(-c3cncn3C)nc2ccc1F ZINC001250489662 967954669 /nfs/dbraw/zinc/95/46/69/967954669.db2.gz PAKOBGXOJQUAKW-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CCCn1cc(CN2C[C@@H](C)[C@@H]2C)c(C)n1 ZINC001206016818 967974121 /nfs/dbraw/zinc/97/41/21/967974121.db2.gz RNJKOOMOYXMIJC-PWSUYJOCSA-N 0 1 221.348 2.442 20 0 BEADMN CCCn1cc(CN2C[C@H](C)[C@H]2C)c(C)n1 ZINC001206016814 967978202 /nfs/dbraw/zinc/97/82/02/967978202.db2.gz RNJKOOMOYXMIJC-CMPLNLGQSA-N 0 1 221.348 2.442 20 0 BEADMN COc1cc(CN2CC=CC2)cc2c1OCC=C2 ZINC001250498261 967984276 /nfs/dbraw/zinc/98/42/76/967984276.db2.gz UECWJOBMLQXJJQ-UHFFFAOYSA-N 0 1 243.306 2.473 20 0 BEADMN COc1cccc2c1nc(-c1[nH]cnc1C)n2C ZINC001250498484 967985381 /nfs/dbraw/zinc/98/53/81/967985381.db2.gz OTLURLZHQJODJY-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN Cc1[nH]cnc1-c1nc2ccc(F)cc2[nH]1 ZINC001250498917 967990038 /nfs/dbraw/zinc/99/00/38/967990038.db2.gz SKNAASHEUTTYPI-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN CCOc1ccc2nc(-c3nccn3C)[nH]c2c1 ZINC001250501334 967990853 /nfs/dbraw/zinc/99/08/53/967990853.db2.gz NHGHFHOHBBGWLE-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN COc1ncc(-c2nc3cccc(C)c3[nH]2)cn1 ZINC001250515225 968015207 /nfs/dbraw/zinc/01/52/07/968015207.db2.gz KTWUIQUBKDTCLO-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCC(F)(F)CNC[C@H]1CCCOC1 ZINC000697558312 968015223 /nfs/dbraw/zinc/01/52/23/968015223.db2.gz FUEUICHYRVNLQS-SECBINFHSA-N 0 1 207.264 2.048 20 0 BEADMN COC(OC)c1nc2cc(C)cc(C)c2[nH]1 ZINC001250540236 968044130 /nfs/dbraw/zinc/04/41/30/968044130.db2.gz ITUQCLAEIFFXCA-UHFFFAOYSA-N 0 1 220.272 2.471 20 0 BEADMN COC(OC)c1nc2c(cc(F)cc2C)[nH]1 ZINC001250540180 968044595 /nfs/dbraw/zinc/04/45/95/968044595.db2.gz FYDQLCBONDSHTM-UHFFFAOYSA-N 0 1 224.235 2.302 20 0 BEADMN CCCN(Cc1coc(C)n1)C1CCOCC1 ZINC001206081102 968047636 /nfs/dbraw/zinc/04/76/36/968047636.db2.gz KCPLWAWLMXXQMD-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN COc1cc2nc(C(OC)OC)[nH]c2cc1F ZINC001250540990 968048641 /nfs/dbraw/zinc/04/86/41/968048641.db2.gz XKYZHGQUDJLMBJ-UHFFFAOYSA-N 0 1 240.234 2.002 20 0 BEADMN COc1cc2[nH]c(C3(C)COC3)nc2cc1C ZINC001250559115 968071363 /nfs/dbraw/zinc/07/13/63/968071363.db2.gz SKNUAZPVBVTOHE-UHFFFAOYSA-N 0 1 232.283 2.168 20 0 BEADMN Cc1c2[nH]c(C3(C)COC3)nc2ccc1F ZINC001250559170 968072799 /nfs/dbraw/zinc/07/27/99/968072799.db2.gz WAMDVCCAVWFHBL-UHFFFAOYSA-N 0 1 220.247 2.298 20 0 BEADMN CSc1ccc2nc(CN(C)C)[nH]c2c1 ZINC001250565459 968079652 /nfs/dbraw/zinc/07/96/52/968079652.db2.gz HQTSZOUBUQBFEL-UHFFFAOYSA-N 0 1 221.329 2.346 20 0 BEADMN Cc1nc2c(nc(Cl)nc2N(C)C(C)C)[nH]1 ZINC001163619541 968081621 /nfs/dbraw/zinc/08/16/21/968081621.db2.gz UVRJBWJBSSIWKN-UHFFFAOYSA-N 0 1 239.710 2.159 20 0 BEADMN Cc1ccc(/C=C/c2cnc(CN)nc2)cc1 ZINC001206161198 968096197 /nfs/dbraw/zinc/09/61/97/968096197.db2.gz ROXZOVSWOFHGGD-VOTSOKGWSA-N 0 1 225.295 2.414 20 0 BEADMN CO[C@H](C)CN1CC(C)(CC(F)(F)F)C1 ZINC001206195684 968125933 /nfs/dbraw/zinc/12/59/33/968125933.db2.gz ZSSYWQSYSTXKFB-MRVPVSSYSA-N 0 1 225.254 2.296 20 0 BEADMN COCCc1nc2cc(C)c(F)cc2[nH]1 ZINC001250596212 968130546 /nfs/dbraw/zinc/13/05/46/968130546.db2.gz RXNUABNMMMDYJX-UHFFFAOYSA-N 0 1 208.236 2.199 20 0 BEADMN CCCC1CCN(Cc2cn(C)cn2)CC1 ZINC001206230309 968153958 /nfs/dbraw/zinc/15/39/58/968153958.db2.gz KDHCGQMKNXIPMZ-UHFFFAOYSA-N 0 1 221.348 2.432 20 0 BEADMN Cc1cccc2nc(CCC3OCCO3)[nH]c21 ZINC001250607769 968156253 /nfs/dbraw/zinc/15/62/53/968156253.db2.gz AWPJXGQVFSQLAR-UHFFFAOYSA-N 0 1 232.283 2.177 20 0 BEADMN COC(C)(C)Cc1nc2cc3c(cc2[nH]1)OCC3 ZINC001250613115 968161047 /nfs/dbraw/zinc/16/10/47/968161047.db2.gz ARJULGQBKIWCBF-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN Cc1c2[nH]c(-c3cnccn3)nc2ccc1F ZINC001250630156 968175164 /nfs/dbraw/zinc/17/51/64/968175164.db2.gz VWUORTVBNOTCTI-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1cc2nc(-c3cnc(N)nc3)[nH]c2c(C)c1 ZINC001250685547 968195278 /nfs/dbraw/zinc/19/52/78/968195278.db2.gz VTQZTOKLFFFCOH-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1cc2nc(-c3cnc(N)nc3)[nH]c2cc1F ZINC001250684626 968196423 /nfs/dbraw/zinc/19/64/23/968196423.db2.gz JLDXFBFXENWYIC-UHFFFAOYSA-N 0 1 243.245 2.050 20 0 BEADMN COc1cc2[nH]c(-c3ccnnc3)nc2cc1C ZINC001250831174 968205923 /nfs/dbraw/zinc/20/59/23/968205923.db2.gz XLBCZCMHESBRFX-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1c2[nH]c(-c3ccnnc3)nc2ccc1F ZINC001250830493 968207699 /nfs/dbraw/zinc/20/76/99/968207699.db2.gz DSKRQIDPQIJJCN-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN COc1cc2nc(-c3cnco3)[nH]c2cc1F ZINC001250919902 968215111 /nfs/dbraw/zinc/21/51/11/968215111.db2.gz CWQHDVVIJHFDGE-UHFFFAOYSA-N 0 1 233.202 2.366 20 0 BEADMN Cc1ccc2nc(N)n(-c3ccccc3N)c2c1 ZINC001206309258 968217774 /nfs/dbraw/zinc/21/77/74/968217774.db2.gz VRMQEUZDFVZDMY-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN Nc1ccccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001206323082 968229090 /nfs/dbraw/zinc/22/90/90/968229090.db2.gz PHDGMCAZSQNBHQ-UHFFFAOYSA-N 0 1 236.662 2.161 20 0 BEADMN CC[C@H](NC[C@@H](O)C(F)(F)F)c1cccnc1 ZINC001250990768 968237192 /nfs/dbraw/zinc/23/71/92/968237192.db2.gz AJUFCXOXPQQXMW-VHSXEESVSA-N 0 1 248.248 2.046 20 0 BEADMN CC[C@H](NC[C@H](O)C(F)(F)F)c1cccnc1 ZINC001250990767 968238330 /nfs/dbraw/zinc/23/83/30/968238330.db2.gz AJUFCXOXPQQXMW-UWVGGRQHSA-N 0 1 248.248 2.046 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1[C@H]1C=CCCC1 ZINC000397057315 968240985 /nfs/dbraw/zinc/24/09/85/968240985.db2.gz USKDRLNSJNFWTH-WOPDTQHZSA-N 0 1 223.316 2.280 20 0 BEADMN Cc1ncc(-c2nc3cc4c(cc3[nH]2)OCC4)o1 ZINC001251329683 968285014 /nfs/dbraw/zinc/28/50/14/968285014.db2.gz ASKABPMHAWAXBC-UHFFFAOYSA-N 0 1 241.250 2.461 20 0 BEADMN CC[C@H]1CCCN(Cc2cnc(OC)nc2)C1 ZINC001206418137 968290866 /nfs/dbraw/zinc/29/08/66/968290866.db2.gz HDKJISRFDMEBAO-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN Cc1c2nc(-c3nnc[nH]3)[nH]c2ccc1Cl ZINC001251632757 968295457 /nfs/dbraw/zinc/29/54/57/968295457.db2.gz YYNFLMZYRASLOU-UHFFFAOYSA-N 0 1 233.662 2.310 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2=CCCC2)[C@H]1C(=O)[O-] ZINC000401122179 968300589 /nfs/dbraw/zinc/30/05/89/968300589.db2.gz OEYVNRUECIBSCO-ZYHUDNBSSA-N 0 1 223.316 2.282 20 0 BEADMN COc1cnccc1CN1CCC[C@@H](F)CC1 ZINC001206438802 968308782 /nfs/dbraw/zinc/30/87/82/968308782.db2.gz UHYOYSLGGQJRRT-GFCCVEGCSA-N 0 1 238.306 2.414 20 0 BEADMN COc1cnccc1CN1CCC(C)(F)CC1 ZINC001206438428 968308892 /nfs/dbraw/zinc/30/88/92/968308892.db2.gz RYVONASPVMFPQP-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN COc1cnccc1CN1CCC2(CC2)C1 ZINC001206448390 968316276 /nfs/dbraw/zinc/31/62/76/968316276.db2.gz QVIGRIZMQFOQKS-UHFFFAOYSA-N 0 1 218.300 2.076 20 0 BEADMN COc1cnccc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001206473685 968329778 /nfs/dbraw/zinc/32/97/78/968329778.db2.gz XGIIRPQUMSKQCJ-SDDRHHMPSA-N 0 1 236.290 2.023 20 0 BEADMN CC[C@@H](O)CN[C@H](c1ncccc1F)C1CC1 ZINC001251817379 968352036 /nfs/dbraw/zinc/35/20/36/968352036.db2.gz HECIEKXFMOTXKL-PWSUYJOCSA-N 0 1 238.306 2.032 20 0 BEADMN Nc1cccc(C(=S)Nc2ccnc(N)c2)c1 ZINC001206568131 968387153 /nfs/dbraw/zinc/38/71/53/968387153.db2.gz IXCVYIFNMQFRSI-UHFFFAOYSA-N 0 1 244.323 2.034 20 0 BEADMN COc1cccnc1CN1CCC(C)CC1 ZINC001206610833 968420232 /nfs/dbraw/zinc/42/02/32/968420232.db2.gz NSNPEMFVXOBMEE-UHFFFAOYSA-N 0 1 220.316 2.322 20 0 BEADMN O[C@H](CN1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1 ZINC001251984328 968424092 /nfs/dbraw/zinc/42/40/92/968424092.db2.gz FSRYOAAPAMEZTB-XDQVBPFNSA-N 0 1 235.302 2.010 20 0 BEADMN Oc1cc(F)cc(Nc2ccncc2)c1 ZINC001206754172 968455420 /nfs/dbraw/zinc/45/54/20/968455420.db2.gz BMYXVOPRBADJFM-UHFFFAOYSA-N 0 1 204.204 2.092 20 0 BEADMN Oc1cc(F)c(-c2cccnn2)cc1F ZINC001206748922 968455853 /nfs/dbraw/zinc/45/58/53/968455853.db2.gz PPEAQFIKTRCYQO-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN Fc1cnccc1CN1CCC2(CC2)C1 ZINC001206783826 968467786 /nfs/dbraw/zinc/46/77/86/968467786.db2.gz RPEYXUHZFVSWGU-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccncc3F)C[C@H]12 ZINC001206790882 968473617 /nfs/dbraw/zinc/47/36/17/968473617.db2.gz WYZMUZHXMXMYTJ-PWSUYJOCSA-N 0 1 248.301 2.022 20 0 BEADMN CCCC[C@H](O)CNCc1csc(C)n1 ZINC001252077143 968493657 /nfs/dbraw/zinc/49/36/57/968493657.db2.gz DQZWGTLTLBQNNG-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN Cc1ccnc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001206846448 968496660 /nfs/dbraw/zinc/49/66/60/968496660.db2.gz JXDCBZTZWWWKNF-UKRRQHHQSA-N 0 1 246.354 2.391 20 0 BEADMN CSCCN(C)Cc1cc(C)ccn1 ZINC001206854163 968504210 /nfs/dbraw/zinc/50/42/10/968504210.db2.gz STNZXULXNAPFFX-UHFFFAOYSA-N 0 1 210.346 2.185 20 0 BEADMN Clc1nc2[nH]ncc2c(O[C@@H]2C=CCC2)n1 ZINC001231047469 968513774 /nfs/dbraw/zinc/51/37/74/968513774.db2.gz VCCBGHQOBZPXFC-ZCFIWIBFSA-N 0 1 236.662 2.104 20 0 BEADMN OCC1CN(Cc2cc3ccccc3s2)C1 ZINC000164427204 968518037 /nfs/dbraw/zinc/51/80/37/968518037.db2.gz HHTQWWAHIHERKR-UHFFFAOYSA-N 0 1 233.336 2.325 20 0 BEADMN Cc1ncsc1CN1CC(c2cccnc2)C1 ZINC001206987479 968529316 /nfs/dbraw/zinc/52/93/16/968529316.db2.gz REGLDNJRPLMQBR-UHFFFAOYSA-N 0 1 245.351 2.446 20 0 BEADMN Fc1cccc2oc(NCCN3CC=CC3)nc21 ZINC001321315189 1169923390 /nfs/dbraw/zinc/92/33/90/1169923390.db2.gz SEJRUOLBBKNWMB-UHFFFAOYSA-N 0 1 247.273 2.251 20 0 BEADMN C[C@]1(CF)CCN(Cc2cncc(F)c2)C1 ZINC001207017255 968554363 /nfs/dbraw/zinc/55/43/63/968554363.db2.gz RFWDKZOYTIWRCU-GFCCVEGCSA-N 0 1 226.270 2.402 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3ncccc3F)C[C@@H]21 ZINC001207033714 968566036 /nfs/dbraw/zinc/56/60/36/968566036.db2.gz GAMHKLMTSLYSOL-AOOOYVTPSA-N 0 1 220.291 2.309 20 0 BEADMN Cc1[nH]nc(CNC(=O)[C@H]2CCCC[C@H]2C)c1C ZINC000716199382 968566324 /nfs/dbraw/zinc/56/63/24/968566324.db2.gz MORVIZLHQLLGIP-SKDRFNHKSA-N 0 1 249.358 2.469 20 0 BEADMN CCCC[C@@H](O)CNCC(=O)c1ccccc1 ZINC001252108172 968587927 /nfs/dbraw/zinc/58/79/27/968587927.db2.gz LVUPESDMBOGANJ-CYBMUJFWSA-N 0 1 235.327 2.010 20 0 BEADMN Cc1ncc(CN2CCC[C@@H]3C[C@@H]32)s1 ZINC001207063409 968589330 /nfs/dbraw/zinc/58/93/30/968589330.db2.gz WYDFJKCXCSIGDF-KOLCDFICSA-N 0 1 208.330 2.436 20 0 BEADMN CC(C)=Cc1cccc(C(=O)N2CCNCC2)c1 ZINC001240641059 968612762 /nfs/dbraw/zinc/61/27/62/968612762.db2.gz XXOCLKXELDYEJL-UHFFFAOYSA-N 0 1 244.338 2.155 20 0 BEADMN CCc1nccc(CN2CCCOC(C)(C)C2)n1 ZINC001207088858 968620882 /nfs/dbraw/zinc/62/08/82/968620882.db2.gz VRGBBTQGFHVFJP-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN CCc1ccc(C)nc1NCC(C)(C)O ZINC001252345830 968622757 /nfs/dbraw/zinc/62/27/57/968622757.db2.gz SEFAZOKGTIXKIR-UHFFFAOYSA-N 0 1 208.305 2.135 20 0 BEADMN Cc1[nH]nc2cc(NCC(C)(C)O)ccc12 ZINC001252360988 968639518 /nfs/dbraw/zinc/63/95/18/968639518.db2.gz ZOAIQELJNGKCQK-UHFFFAOYSA-N 0 1 219.288 2.054 20 0 BEADMN CCn1ccnc1CN1C[C@H](C)CC12CC2 ZINC001207146957 968658113 /nfs/dbraw/zinc/65/81/13/968658113.db2.gz RTNKBDRSOLMHQK-LLVKDONJSA-N 0 1 219.332 2.277 20 0 BEADMN Cc1cncc(CN2CC(c3cccnc3)C2)c1 ZINC001207160444 968664352 /nfs/dbraw/zinc/66/43/52/968664352.db2.gz GOIWHKRWFYSWLN-UHFFFAOYSA-N 0 1 239.322 2.384 20 0 BEADMN Cc1cncc(CN2CC3(C2)CCCOC3)c1 ZINC001207155224 968665903 /nfs/dbraw/zinc/66/59/03/968665903.db2.gz MOVBOZOQKHYZOF-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1cncc(CN2CC3(CCC3)C2)c1 ZINC001207155025 968666803 /nfs/dbraw/zinc/66/68/03/968666803.db2.gz HRGDZWMDBKECTN-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN Cc1cncc(CN2CCC[C@]3(CCO3)C2)c1 ZINC001207160758 968671255 /nfs/dbraw/zinc/67/12/55/968671255.db2.gz JFPUOKYCZCWDEH-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN CC(C)n1nccc1CN1CC[C@]2(CCCO2)C1 ZINC001207171099 968679069 /nfs/dbraw/zinc/67/90/69/968679069.db2.gz RJZNMMVEFSFHFW-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)n1nccc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001207174412 968679419 /nfs/dbraw/zinc/67/94/19/968679419.db2.gz LORWDRWEVAULAL-DRZSPHRISA-N 0 1 237.322 2.396 20 0 BEADMN CCN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462891 968734273 /nfs/dbraw/zinc/73/42/73/968734273.db2.gz QCYVCEVBYRDUAJ-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN C=Cc1cc(CN2CCN(C)CC2)ccc1OC ZINC001240833967 968740682 /nfs/dbraw/zinc/74/06/82/968740682.db2.gz WXOGBWGHMZRVHD-UHFFFAOYSA-N 0 1 246.354 2.086 20 0 BEADMN COc1cccc(CCN(C)Cc2ccno2)c1 ZINC001207433318 968769447 /nfs/dbraw/zinc/76/94/47/968769447.db2.gz ONNOHTFWMBCFNZ-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN COc1ccccc1CCN1C[C@@H](C)O[C@H](C)C1 ZINC001207453869 968779981 /nfs/dbraw/zinc/77/99/81/968779981.db2.gz PCUFJOZYHOOJLR-CHWSQXEVSA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccc(CCN2CCCC23COC3)cc1 ZINC001207476373 968793319 /nfs/dbraw/zinc/79/33/19/968793319.db2.gz AJMLRZZOKCAQJO-UHFFFAOYSA-N 0 1 247.338 2.103 20 0 BEADMN CN(CCCc1ccccc1F)C1COC1 ZINC001207494125 968802756 /nfs/dbraw/zinc/80/27/56/968802756.db2.gz RFCGLVHYDLRODW-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN Fc1ccccc1CCN1CC2(C1)CCCOC2 ZINC001207496886 968806877 /nfs/dbraw/zinc/80/68/77/968806877.db2.gz SVDQHCJMYLXJEB-UHFFFAOYSA-N 0 1 249.329 2.481 20 0 BEADMN C[C@@H]1CN(CCc2ccc(F)cc2)C[C@@H](C)O1 ZINC001207509810 968809818 /nfs/dbraw/zinc/80/98/18/968809818.db2.gz AFKVRXDNJVHNSO-VXGBXAGGSA-N 0 1 237.318 2.477 20 0 BEADMN Fc1ccc(CCN2CCOC3(CC3)C2)cc1 ZINC001207518613 968814022 /nfs/dbraw/zinc/81/40/22/968814022.db2.gz OKSZHIRKLNWHPH-UHFFFAOYSA-N 0 1 235.302 2.233 20 0 BEADMN C[C@H](CCCC(C)(C)O)CCN1CC(C)(O)C1 ZINC001207634665 968851688 /nfs/dbraw/zinc/85/16/88/968851688.db2.gz FDUKQIWDVGVCCS-GFCCVEGCSA-N 0 1 243.391 2.020 20 0 BEADMN COC1CN(CC[C@H](C)CCCC(C)(C)O)C1 ZINC001207636243 968853126 /nfs/dbraw/zinc/85/31/26/968853126.db2.gz SRWBFCOVIPSQHL-GFCCVEGCSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1nnc(-c2ccccc2O)nc1CC ZINC001241008331 968857050 /nfs/dbraw/zinc/85/70/50/968857050.db2.gz HRDBXIREWMHMDL-UHFFFAOYSA-N 0 1 229.283 2.369 20 0 BEADMN C[C@H](CCCC(C)(C)O)CCN(C)C1COC1 ZINC001207671005 968858863 /nfs/dbraw/zinc/85/88/63/968858863.db2.gz PUMKBOAJYXLXGI-GFCCVEGCSA-N 0 1 243.391 2.284 20 0 BEADMN Cc1cccc2c1CN(C[C@@H](O)COC(C)C)C2 ZINC001252672404 968903947 /nfs/dbraw/zinc/90/39/47/968903947.db2.gz GBINFRKVRTVZQS-CQSZACIVSA-N 0 1 249.354 2.097 20 0 BEADMN Cc1cc(F)cc(CN2CC[C@@]23CCOC3)c1 ZINC001143619459 968949821 /nfs/dbraw/zinc/94/98/21/968949821.db2.gz QQJXDYWSPIOMOH-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cc(-c2cnc(CN)nc2)ccc1F ZINC001241280187 968969005 /nfs/dbraw/zinc/96/90/05/968969005.db2.gz RDHQQQMLYYFYKQ-UHFFFAOYSA-N 0 1 217.247 2.050 20 0 BEADMN CCC[C@@H](O)CNc1ccc2[nH]c(C)nc2c1 ZINC001252791096 968969831 /nfs/dbraw/zinc/96/98/31/968969831.db2.gz NXCJKDGFSFJEBO-LLVKDONJSA-N 0 1 233.315 2.444 20 0 BEADMN Cc1cnc(C2=CCN(C)CC2)c(F)c1 ZINC001241308458 968970685 /nfs/dbraw/zinc/97/06/85/968970685.db2.gz SAOVVHBXKRITQP-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1nnc(SCC(=O)CC(C)(C)C)[nH]1 ZINC001323246359 1169929195 /nfs/dbraw/zinc/92/91/95/1169929195.db2.gz LNWHNPJKPLXXMG-UHFFFAOYSA-N 0 1 227.333 2.211 20 0 BEADMN Cc1n[nH]c(SCC(=O)CC(C)(C)C)n1 ZINC001323246359 1169929200 /nfs/dbraw/zinc/92/92/00/1169929200.db2.gz LNWHNPJKPLXXMG-UHFFFAOYSA-N 0 1 227.333 2.211 20 0 BEADMN CCC[C@H](O)CNCc1cc(F)cc(F)c1F ZINC001252798771 968980782 /nfs/dbraw/zinc/98/07/82/968980782.db2.gz KFMIMUWOGMYLDO-JTQLQIEISA-N 0 1 247.260 2.355 20 0 BEADMN CCC[C@@H](O)CNCc1noc2ccccc12 ZINC001252803316 968987834 /nfs/dbraw/zinc/98/78/34/968987834.db2.gz PSJLGYLRYJTCMG-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN CCC[C@H](O)CN[C@H]1COc2ccc(F)cc21 ZINC001252804269 968991764 /nfs/dbraw/zinc/99/17/64/968991764.db2.gz JDCSNESINAEZKL-JQWIXIFHSA-N 0 1 239.290 2.010 20 0 BEADMN OCc1cccc(-c2ccc3[nH]nnc3c2)c1 ZINC001241509183 969022263 /nfs/dbraw/zinc/02/22/63/969022263.db2.gz CCHLIBGAMHFMKJ-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN OCc1cccc(-c2ccc3nn[nH]c3c2)c1 ZINC001241509183 969022273 /nfs/dbraw/zinc/02/22/73/969022273.db2.gz CCHLIBGAMHFMKJ-UHFFFAOYSA-N 0 1 225.251 2.117 20 0 BEADMN C[C@@H]1C[C@H](F)CN1C[C@@H](O)c1ccc(F)cc1 ZINC001252839173 969032052 /nfs/dbraw/zinc/03/20/52/969032052.db2.gz FSJIDSFVGVEFKH-JIMOISOXSA-N 0 1 241.281 2.291 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1C[C@@H](O)c1ccc(F)cc1 ZINC001252839175 969034308 /nfs/dbraw/zinc/03/43/08/969034308.db2.gz FSJIDSFVGVEFKH-OASPWFOLSA-N 0 1 241.281 2.291 20 0 BEADMN O[C@H](CN1CC2(CCC2)C1)c1ccc(F)cc1 ZINC001252840090 969035735 /nfs/dbraw/zinc/03/57/35/969035735.db2.gz LLXLRXDAMCIXFI-CYBMUJFWSA-N 0 1 235.302 2.345 20 0 BEADMN C[C@@H]1C[C@H](F)CN1C[C@H](O)c1ccc(F)cc1 ZINC001252839171 969035756 /nfs/dbraw/zinc/03/57/56/969035756.db2.gz FSJIDSFVGVEFKH-ICCXJUOJSA-N 0 1 241.281 2.291 20 0 BEADMN CC/C=C\CCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC001208134557 969037731 /nfs/dbraw/zinc/03/77/31/969037731.db2.gz LRDODDFWMMETOM-QMAVJUDZSA-N 0 1 225.332 2.370 20 0 BEADMN CC/C=C\CCCN1CCC[C@@H]1C(=O)OC ZINC001208134557 969037740 /nfs/dbraw/zinc/03/77/40/969037740.db2.gz LRDODDFWMMETOM-QMAVJUDZSA-N 0 1 225.332 2.370 20 0 BEADMN COc1cc(C)ncc1C1=CCCN(C)C1 ZINC001241570040 969064621 /nfs/dbraw/zinc/06/46/21/969064621.db2.gz BDMFKODXEDYOGA-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN COc1cncc(C2=CCCN(C)C2)c1C ZINC001241571032 969067703 /nfs/dbraw/zinc/06/77/03/969067703.db2.gz TUFOOEABIXDXBP-UHFFFAOYSA-N 0 1 218.300 2.118 20 0 BEADMN CN1CCC=C(c2cccc3c2NC(=O)CC3)C1 ZINC001241571217 969068191 /nfs/dbraw/zinc/06/81/91/969068191.db2.gz WBEBURUWLBATQR-UHFFFAOYSA-N 0 1 242.322 2.290 20 0 BEADMN Cc1nc[nH]c1-c1nnc(-c2ccccc2)o1 ZINC001253107934 969084287 /nfs/dbraw/zinc/08/42/87/969084287.db2.gz GDCYQCGJNKLAJU-UHFFFAOYSA-N 0 1 226.239 2.435 20 0 BEADMN C[C@@](O)(CN1C[C@@H]2C[C@@H]2[C@@H](F)C1)c1ccccc1 ZINC001253097239 969085859 /nfs/dbraw/zinc/08/58/59/969085859.db2.gz ABZAWKFDVORPNK-CYUUQNCZSA-N 0 1 249.329 2.184 20 0 BEADMN CCN(CCN1CC=CC1)C(=O)OC(C)(C)C ZINC001208242541 969132643 /nfs/dbraw/zinc/13/26/43/969132643.db2.gz GQNQOEAYQVDZNO-UHFFFAOYSA-N 0 1 240.347 2.115 20 0 BEADMN CC(C)(CCN1CC(C)(O)C1)c1ccccc1 ZINC001208663429 969183964 /nfs/dbraw/zinc/18/39/64/969183964.db2.gz KXNFBTDSEMJQDO-UHFFFAOYSA-N 0 1 233.355 2.421 20 0 BEADMN Cc1nnc(-c2ccc(F)c(O)c2F)o1 ZINC001253470811 969186122 /nfs/dbraw/zinc/18/61/22/969186122.db2.gz JQNBXBRIAOXASB-UHFFFAOYSA-N 0 1 212.155 2.029 20 0 BEADMN Cc1nnc(-c2ccc(O)c(F)c2F)o1 ZINC001253471256 969189064 /nfs/dbraw/zinc/18/90/64/969189064.db2.gz XBSLXTKHKUIEPX-UHFFFAOYSA-N 0 1 212.155 2.029 20 0 BEADMN CSc1ncc2c(n1)CN(CCC1CC1)CC2 ZINC001208688631 969195522 /nfs/dbraw/zinc/19/55/22/969195522.db2.gz RLUTXKRPUPVVIF-UHFFFAOYSA-N 0 1 249.383 2.357 20 0 BEADMN CCCCC[C@@H](O)CNc1cc(OC)ccn1 ZINC001253520343 969197281 /nfs/dbraw/zinc/19/72/81/969197281.db2.gz JVVPEAINKARCED-LLVKDONJSA-N 0 1 238.331 2.443 20 0 BEADMN C(CN1CC2(C1)CCCO2)C1CCCC1 ZINC001208694140 969197916 /nfs/dbraw/zinc/19/79/16/969197916.db2.gz XOKQJYAPHMCPPH-UHFFFAOYSA-N 0 1 209.333 2.432 20 0 BEADMN CCCCC[C@H](O)CN1CCCC(=O)[C@@H](C)C1 ZINC001253524748 969201260 /nfs/dbraw/zinc/20/12/60/969201260.db2.gz FSQXMNZAAZEMPU-STQMWFEESA-N 0 1 241.375 2.229 20 0 BEADMN CCCCC[C@@H](O)CN1CC(c2cccnc2)C1 ZINC001253534536 969207273 /nfs/dbraw/zinc/20/72/73/969207273.db2.gz AFQLTUFARBEGQU-OAHLLOKOSA-N 0 1 248.370 2.422 20 0 BEADMN Cc1nc[nH]c1-c1nnc(Cc2ccccc2)o1 ZINC001253556114 969230460 /nfs/dbraw/zinc/23/04/60/969230460.db2.gz MHNCXDAOMUJDKF-UHFFFAOYSA-N 0 1 240.266 2.359 20 0 BEADMN COC1(C)CN(CCCc2ccc(F)cc2)C1 ZINC001208766300 969234432 /nfs/dbraw/zinc/23/44/32/969234432.db2.gz CSAVRNJFWWFXHM-UHFFFAOYSA-N 0 1 237.318 2.479 20 0 BEADMN CN1CC=C(Nc2cc(F)nc(F)c2F)CC1 ZINC001208794038 969241309 /nfs/dbraw/zinc/24/13/09/969241309.db2.gz MQJBGXSFBZCWLJ-UHFFFAOYSA-N 0 1 243.232 2.130 20 0 BEADMN Cc1cnc(N=C2CCN(C)CC2)c(F)c1 ZINC001208794702 969242735 /nfs/dbraw/zinc/24/27/35/969242735.db2.gz SIJWAFFLHGWWHX-UHFFFAOYSA-N 0 1 221.279 2.160 20 0 BEADMN FC1(F)CC2(CN(C[C@@H]3CCC=CO3)C2)C1 ZINC001208873683 969260812 /nfs/dbraw/zinc/26/08/12/969260812.db2.gz JOHORXRYHVSUFM-JTQLQIEISA-N 0 1 229.270 2.410 20 0 BEADMN c1cnc2c(c1)CCN(C[C@@H]1CCC=CO1)C2 ZINC001208883083 969272730 /nfs/dbraw/zinc/27/27/30/969272730.db2.gz RWQLRBAMJFICFL-ZDUSSCGKSA-N 0 1 230.311 2.132 20 0 BEADMN Cc1cccc(-c2nnc(C3CN(C)C3)o2)c1 ZINC001253601556 969297092 /nfs/dbraw/zinc/29/70/92/969297092.db2.gz FBMBGCPULSRXCP-UHFFFAOYSA-N 0 1 229.283 2.074 20 0 BEADMN Cc1nc2ccccn2c1NC[C@@H](O)C(C)(C)C ZINC001253717395 969343133 /nfs/dbraw/zinc/34/31/33/969343133.db2.gz KZNJWHHGLJETNX-LLVKDONJSA-N 0 1 247.342 2.462 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2c(c1)C=CC2 ZINC001169028912 969346876 /nfs/dbraw/zinc/34/68/76/969346876.db2.gz KZIVHRCSCQSSRI-UHFFFAOYSA-N 0 1 225.295 2.209 20 0 BEADMN Cc1cnc(CN)n1-c1cnc2ccccc2c1 ZINC001169029573 969347722 /nfs/dbraw/zinc/34/77/22/969347722.db2.gz WGLHMERSTLHDKI-UHFFFAOYSA-N 0 1 238.294 2.188 20 0 BEADMN C=Cc1ccccc1-n1c(C)cnc1CN ZINC001169027738 969350034 /nfs/dbraw/zinc/35/00/34/969350034.db2.gz DJINTVUAWMBDTP-UHFFFAOYSA-N 0 1 213.284 2.282 20 0 BEADMN CC(C)(C)[C@@H](O)CNc1cccc2[nH]ncc21 ZINC001253734150 969357563 /nfs/dbraw/zinc/35/75/63/969357563.db2.gz ZNKFVAPWEZXSHQ-LBPRGKRZSA-N 0 1 233.315 2.382 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2sccc2n1 ZINC001169020507 969359932 /nfs/dbraw/zinc/35/99/32/969359932.db2.gz MIJIQOBLBBYORO-UHFFFAOYSA-N 0 1 244.323 2.249 20 0 BEADMN CCc1ccc(C)nc1NC[C@H](O)C(C)C ZINC001253748305 969363845 /nfs/dbraw/zinc/36/38/45/969363845.db2.gz FUXPFLASHGVEEI-LBPRGKRZSA-N 0 1 222.332 2.381 20 0 BEADMN Cc1cnc(CN)n1-c1nccc2sccc21 ZINC001169022956 969365800 /nfs/dbraw/zinc/36/58/00/969365800.db2.gz UTAVTFIWHKILNL-UHFFFAOYSA-N 0 1 244.323 2.249 20 0 BEADMN C[C@@H]1CCN(CCCc2ccncc2)CCC1=O ZINC001209185999 969376299 /nfs/dbraw/zinc/37/62/99/969376299.db2.gz XHYMCMFIJWKSRH-CYBMUJFWSA-N 0 1 246.354 2.315 20 0 BEADMN CC(=O)[C@@H]1CCCC[N@H+]1CCCc1cccnc1 ZINC001209182026 969376576 /nfs/dbraw/zinc/37/65/76/969376576.db2.gz QBMCJSOPICFAID-HNNXBMFYSA-N 0 1 246.354 2.458 20 0 BEADMN CC(=O)[C@@H]1CCCCN1CCCc1cccnc1 ZINC001209182026 969376580 /nfs/dbraw/zinc/37/65/80/969376580.db2.gz QBMCJSOPICFAID-HNNXBMFYSA-N 0 1 246.354 2.458 20 0 BEADMN CC(C)[C@H](O)CNCc1cc(F)cc(F)c1F ZINC001253777951 969399980 /nfs/dbraw/zinc/39/99/80/969399980.db2.gz XZKLLGNRUMHXPN-LLVKDONJSA-N 0 1 247.260 2.210 20 0 BEADMN COCCCCN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001209217520 969404284 /nfs/dbraw/zinc/40/42/84/969404284.db2.gz GZUNYMDZDILRPB-WDEREUQCSA-N 0 1 221.291 2.185 20 0 BEADMN CC1(O)CN(CCCCCc2ccccc2)C1 ZINC001209227313 969411815 /nfs/dbraw/zinc/41/18/15/969411815.db2.gz GQKBMDBUJSMBTJ-UHFFFAOYSA-N 0 1 233.355 2.466 20 0 BEADMN CC(C)[C@H]1COCCN1CCOc1ccccc1 ZINC001209298622 969430535 /nfs/dbraw/zinc/43/05/35/969430535.db2.gz FRKHQCAATDVRHY-OAHLLOKOSA-N 0 1 249.354 2.422 20 0 BEADMN c1ccc2c(c1)CN(CCCC1OCCO1)C2 ZINC001209303848 969434526 /nfs/dbraw/zinc/43/45/26/969434526.db2.gz NEXSDIGYHIHLNB-UHFFFAOYSA-N 0 1 233.311 2.155 20 0 BEADMN Cc1cc(CN(CC(F)F)C(C)C)n[nH]1 ZINC001254040612 969456617 /nfs/dbraw/zinc/45/66/17/969456617.db2.gz SMJCXLYUIPDPJH-UHFFFAOYSA-N 0 1 217.263 2.194 20 0 BEADMN C[C@H]1C[C@H]1CN1CCc2cnc(C3CC3)nc2C1 ZINC001209427136 969497312 /nfs/dbraw/zinc/49/73/12/969497312.db2.gz OREIIXQURQZFNJ-GWCFXTLKSA-N 0 1 243.354 2.368 20 0 BEADMN Oc1c(F)cccc1-c1nnc(C2CC2)o1 ZINC001254114740 969501955 /nfs/dbraw/zinc/50/19/55/969501955.db2.gz HHDFZOHKDRJZHA-UHFFFAOYSA-N 0 1 220.203 2.459 20 0 BEADMN Cc1cc2nccn2cc1N[C@H]1CCC[C@@H](O)C1 ZINC001169251309 969540613 /nfs/dbraw/zinc/54/06/13/969540613.db2.gz OFUMPEYTCQCSEL-NWDGAFQWSA-N 0 1 245.326 2.358 20 0 BEADMN c1cc(CN2CC[C@@H]3CCC[C@@H]3C2)no1 ZINC001209559180 969543273 /nfs/dbraw/zinc/54/32/73/969543273.db2.gz COPJGNGFVPVART-WDEREUQCSA-N 0 1 206.289 2.297 20 0 BEADMN c1cc(C[N@@H+]2CCC[C@H]2Cc2ccccn2)no1 ZINC001209564745 969547483 /nfs/dbraw/zinc/54/74/83/969547483.db2.gz DGGDSJWMQSGOMW-AWEZNQCLSA-N 0 1 243.310 2.277 20 0 BEADMN c1cc(CN2CCC[C@H]2Cc2ccccn2)no1 ZINC001209564745 969547485 /nfs/dbraw/zinc/54/74/85/969547485.db2.gz DGGDSJWMQSGOMW-AWEZNQCLSA-N 0 1 243.310 2.277 20 0 BEADMN Clc1ccncc1CN[C@H]1CCCOC1 ZINC001254361401 969575986 /nfs/dbraw/zinc/57/59/86/969575986.db2.gz YVSAPUSMZPFHOG-JTQLQIEISA-N 0 1 226.707 2.004 20 0 BEADMN Oc1cc(Nc2nnco2)ccc1Cl ZINC001212588205 969576073 /nfs/dbraw/zinc/57/60/73/969576073.db2.gz JVXWMVPUOJAEKS-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN CCN(C)Cc1cn2cccc(C)c2n1 ZINC001209732750 969591396 /nfs/dbraw/zinc/59/13/96/969591396.db2.gz DCQSWVGKPHGDRB-UHFFFAOYSA-N 0 1 203.289 2.094 20 0 BEADMN Cc1cccn2cc(CN3C[C@@H]4C[C@@H]4C3)nc12 ZINC001209735311 969598367 /nfs/dbraw/zinc/59/83/67/969598367.db2.gz GUOVYVDHDMDCAS-TXEJJXNPSA-N 0 1 227.311 2.094 20 0 BEADMN CCCC1CCN(Cc2cnccn2)CC1 ZINC001209781856 969609340 /nfs/dbraw/zinc/60/93/40/969609340.db2.gz SVDBQFCHKXAOKX-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1ncccc1F ZINC001209804013 969625870 /nfs/dbraw/zinc/62/58/70/969625870.db2.gz GYDDTHAHBSUHRR-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCc2ccccc2CC1 ZINC001254454922 969644827 /nfs/dbraw/zinc/64/48/27/969644827.db2.gz MDZKQOOQEULPTG-UHFFFAOYSA-N 0 1 245.390 2.419 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc2[nH]cnc2c1 ZINC001209841085 969648730 /nfs/dbraw/zinc/64/87/30/969648730.db2.gz CXYGAEUAUQIMMC-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN Cc1cnc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209841015 969650265 /nfs/dbraw/zinc/65/02/65/969650265.db2.gz AVHBJNSYUGGMFX-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN Fc1cncc(F)c1Nc1ccc2nc[nH]c2c1 ZINC001209841635 969655869 /nfs/dbraw/zinc/65/58/69/969655869.db2.gz YXEBCWOZACNYIK-UHFFFAOYSA-N 0 1 246.220 2.402 20 0 BEADMN COCn1cc(Nc2ccc3nc[nH]c3c2)cn1 ZINC001209848655 969662276 /nfs/dbraw/zinc/66/22/76/969662276.db2.gz PTBIQCSINBAXJF-UHFFFAOYSA-N 0 1 243.270 2.107 20 0 BEADMN COc1cc(Nc2cnc(N)cc2C)c(C)cn1 ZINC001209965728 969729555 /nfs/dbraw/zinc/72/95/55/969729555.db2.gz GSFXYXAQFCGHCI-UHFFFAOYSA-N 0 1 244.298 2.428 20 0 BEADMN COc1ccncc1Nc1cnc(N)cc1C ZINC001209966577 969729682 /nfs/dbraw/zinc/72/96/82/969729682.db2.gz ANYQJDSOBNGTJS-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN Cc1cc(N)ncc1Nc1cccn2nccc12 ZINC001209966107 969730783 /nfs/dbraw/zinc/73/07/83/969730783.db2.gz TYPITDDDFDAJNH-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN Cc1cc(N)ncc1Nc1cccc2c1OCO2 ZINC001209965946 969731999 /nfs/dbraw/zinc/73/19/99/969731999.db2.gz JVNUZZMYJPSPDP-UHFFFAOYSA-N 0 1 243.266 2.445 20 0 BEADMN Cc1cc(N)ncc1Nc1cc(CO)ccc1F ZINC001209968075 969734908 /nfs/dbraw/zinc/73/49/08/969734908.db2.gz VUHSAWOQTGFKNI-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN COc1cccc(N)c1Nc1cnc(N)cc1C ZINC001209970203 969739844 /nfs/dbraw/zinc/73/98/44/969739844.db2.gz XGHVSRSJBROMPO-UHFFFAOYSA-N 0 1 244.298 2.307 20 0 BEADMN Cc1cc(N)ncc1N(C)c1cccc(N)c1 ZINC001209970985 969742586 /nfs/dbraw/zinc/74/25/86/969742586.db2.gz NGCCRAIIBMNPLJ-UHFFFAOYSA-N 0 1 228.299 2.322 20 0 BEADMN CN(C)c1ccccc1Nc1cncn1C ZINC001209988410 969753340 /nfs/dbraw/zinc/75/33/40/969753340.db2.gz YOHKHGOEXUWZQE-UHFFFAOYSA-N 0 1 216.288 2.230 20 0 BEADMN c1nnc(Nc2ccc3cccnc3c2)o1 ZINC001210053744 969775887 /nfs/dbraw/zinc/77/58/87/969775887.db2.gz LDKCCORQBRUKMP-UHFFFAOYSA-N 0 1 212.212 2.361 20 0 BEADMN Cc1ncn(-c2cc(F)c(C)c(F)c2)c1N ZINC001210107246 969802620 /nfs/dbraw/zinc/80/26/20/969802620.db2.gz MWSPPMWHSCPHRN-UHFFFAOYSA-N 0 1 223.226 2.350 20 0 BEADMN FC(F)(F)C1(N[C@H]2CC3CCN(CC3)C2)CC1 ZINC001254846884 969802777 /nfs/dbraw/zinc/80/27/77/969802777.db2.gz XIUXJVNBTYOVCB-JTQLQIEISA-N 0 1 248.292 2.155 20 0 BEADMN Cc1c2nc[nH]c2ccc1N[C@H]1CCCOC1 ZINC001169666130 969805328 /nfs/dbraw/zinc/80/53/28/969805328.db2.gz RCSLDGNGTOOENR-JTQLQIEISA-N 0 1 231.299 2.462 20 0 BEADMN FC1(F)CCC[C@@H]1N[C@H]1CC2CCN(CC2)C1 ZINC001254849153 969806817 /nfs/dbraw/zinc/80/68/17/969806817.db2.gz RILPATTXGDZUSW-RYUDHWBXSA-N 0 1 244.329 2.248 20 0 BEADMN Cc1c(F)c(F)ccc1-n1cncc1N ZINC001210130071 969806986 /nfs/dbraw/zinc/80/69/86/969806986.db2.gz KNALMKGTKRWFEU-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN CC(C)(F)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001254849631 969807048 /nfs/dbraw/zinc/80/70/48/969807048.db2.gz CVPUJVVRKIQMEX-VIFPVBQESA-N 0 1 239.294 2.083 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(C)c1O ZINC001210188374 969824785 /nfs/dbraw/zinc/82/47/85/969824785.db2.gz LPNYJJAHIMDESQ-UHFFFAOYSA-N 0 1 217.272 2.486 20 0 BEADMN COc1ccnc(NC[C@H]2CCCCO2)c1 ZINC001156369001 969829001 /nfs/dbraw/zinc/82/90/01/969829001.db2.gz BHSXMEFLSVUWGL-LLVKDONJSA-N 0 1 222.288 2.071 20 0 BEADMN CO[C@@H](C)CNc1ccc2[nH]cnc2c1C ZINC001169775361 969837353 /nfs/dbraw/zinc/83/73/53/969837353.db2.gz GQGHDNHTXXRDQT-QMMMGPOBSA-N 0 1 219.288 2.318 20 0 BEADMN CO[C@@H](C)CNc1ccc2nc[nH]c2c1 ZINC001169778231 969842882 /nfs/dbraw/zinc/84/28/82/969842882.db2.gz PAUDIVHRCQFTSE-QMMMGPOBSA-N 0 1 205.261 2.010 20 0 BEADMN CCc1nnc(-c2nc3ccc(C)cc3[nH]2)o1 ZINC001255067163 969869102 /nfs/dbraw/zinc/86/91/02/969869102.db2.gz MKDMHCMODJCRHA-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN CC(C)n1ccc(N(C)c2cc(N)ccn2)n1 ZINC001210344239 969872742 /nfs/dbraw/zinc/87/27/42/969872742.db2.gz DIYXDBIDKKFQPT-UHFFFAOYSA-N 0 1 231.303 2.209 20 0 BEADMN CCc1nnc(-c2cc3ccc(C)nc3[nH]2)o1 ZINC001255079013 969873323 /nfs/dbraw/zinc/87/33/23/969873323.db2.gz GRTMCBOABJKNEU-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN Cc1nccc(NCCc2cncs2)c1F ZINC001169867289 969877897 /nfs/dbraw/zinc/87/78/97/969877897.db2.gz MQGNGQCPTZBBRL-UHFFFAOYSA-N 0 1 237.303 2.062 20 0 BEADMN Cc1ccnc(NC[C@@H]2COC(C)(C)O2)c1C ZINC001169903981 969880493 /nfs/dbraw/zinc/88/04/93/969880493.db2.gz ATWIGUWFQJHPHD-LLVKDONJSA-N 0 1 236.315 2.262 20 0 BEADMN COc1c(F)cccc1Nc1ccnc(CO)c1 ZINC001210403652 969883298 /nfs/dbraw/zinc/88/32/98/969883298.db2.gz CUGZGIVFTBLREY-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN Cc1ncc(C[N@H+](C)C2CCSCC2)cn1 ZINC001255094436 969932443 /nfs/dbraw/zinc/93/24/43/969932443.db2.gz YKJPKVLZGLTPNX-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN COc1cc(Nc2c[nH]c(=O)c(F)c2)ncc1C ZINC001210600740 969973655 /nfs/dbraw/zinc/97/36/55/969973655.db2.gz ZLSVSNSUQWTEPJ-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN Cc1cnc(NCc2ccnc(N)c2)c(C)c1 ZINC001156757581 969994218 /nfs/dbraw/zinc/99/42/18/969994218.db2.gz WRDWTZXPWOMFPE-UHFFFAOYSA-N 0 1 228.299 2.288 20 0 BEADMN c1nc2c([nH]1)CC[C@@H](c1nnc(C3CCC3)o1)C2 ZINC001255182124 969995732 /nfs/dbraw/zinc/99/57/32/969995732.db2.gz HKIHUEDCCKZZTA-SECBINFHSA-N 0 1 244.298 2.333 20 0 BEADMN CCc1cc(OC)ccc1-n1cnc(C)c1N ZINC001210715335 970004182 /nfs/dbraw/zinc/00/41/82/970004182.db2.gz KJNYZCPVFODJGF-UHFFFAOYSA-N 0 1 231.299 2.334 20 0 BEADMN Cn1cncc1Nc1ccccc1-n1cccn1 ZINC001210733072 970006999 /nfs/dbraw/zinc/00/69/99/970006999.db2.gz XRWXFUDOBYMIJO-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN O=C1c2ccccc2CC[C@@H]1N[C@H]1CCSC1 ZINC001255278960 970027992 /nfs/dbraw/zinc/02/79/92/970027992.db2.gz KXOLGJYXLQJZMA-AAEUAGOBSA-N 0 1 247.363 2.279 20 0 BEADMN C/C=C(\C)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001242759436 970059999 /nfs/dbraw/zinc/05/99/99/970059999.db2.gz JFHZHKCXHAILBX-XVNBXDOJSA-N 0 1 218.235 2.429 20 0 BEADMN CC1=Cc2cccc(NC[C@H]3COCCN3)c2C1 ZINC001170043022 970066430 /nfs/dbraw/zinc/06/64/30/970066430.db2.gz DHYRIKBROFBMCK-ZDUSSCGKSA-N 0 1 244.338 2.046 20 0 BEADMN Nc1ccnn1-c1cc(Cl)c(O)c(Cl)c1 ZINC001210923404 970072719 /nfs/dbraw/zinc/07/27/19/970072719.db2.gz SEJVOJIYYUYDEU-UHFFFAOYSA-N 0 1 244.081 2.467 20 0 BEADMN O=C1CCCc2ccc(Nc3nnco3)cc21 ZINC001210931478 970073438 /nfs/dbraw/zinc/07/34/38/970073438.db2.gz NJBNHBWHACUBIL-UHFFFAOYSA-N 0 1 229.239 2.332 20 0 BEADMN CC/C=C/CCN1CCN(C(=O)CCC)CC1 ZINC001112597228 970099871 /nfs/dbraw/zinc/09/98/71/970099871.db2.gz MXBYBOPULWWWBZ-AATRIKPKSA-N 0 1 238.375 2.287 20 0 BEADMN CCCC[C@H](C)N1CCN(C(=O)OCC)CC1 ZINC001255328868 970109191 /nfs/dbraw/zinc/10/91/91/970109191.db2.gz FJCIOULTFZGADW-LBPRGKRZSA-N 0 1 242.363 2.339 20 0 BEADMN Cc1ccc(-n2c(N)nc3ccccc32)nc1 ZINC001211006812 970109889 /nfs/dbraw/zinc/10/98/89/970109889.db2.gz GRLBZFBCFVIJMR-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN CCCCC(=O)N1CCN(CC2CCC2)CC1 ZINC001112622398 970125407 /nfs/dbraw/zinc/12/54/07/970125407.db2.gz KCRRQKWFDWCHQX-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Nc1cncn1-c1cc(C(F)(F)F)ccc1N ZINC001211149938 970162629 /nfs/dbraw/zinc/16/26/29/970162629.db2.gz LWJLDUAEPNRVBA-UHFFFAOYSA-N 0 1 242.204 2.056 20 0 BEADMN Cc1ncn(C)c1Nc1cccc(CO)c1C ZINC001211163348 970165901 /nfs/dbraw/zinc/16/59/01/970165901.db2.gz JUWJCLUJQFSWNM-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN CC(=O)N1CCN([C@H](C)CCCC(C)C)CC1 ZINC001170076764 970174975 /nfs/dbraw/zinc/17/49/75/970174975.db2.gz APFJEQRAQRBLQX-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN COC1CCC(NCc2nc(C)co2)CC1 ZINC001255443425 970176870 /nfs/dbraw/zinc/17/68/70/970176870.db2.gz QGROMPCWQVAJSQ-UHFFFAOYSA-N 0 1 224.304 2.030 20 0 BEADMN CC(=O)N(C)C1CN([C@H](C)CCCC(C)C)C1 ZINC001170083632 970196259 /nfs/dbraw/zinc/19/62/59/970196259.db2.gz RFPCGPZGNTVCBS-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCCN1CCN(C(=O)C2(C)CC2)CC1 ZINC001112869746 970198411 /nfs/dbraw/zinc/19/84/11/970198411.db2.gz RWVMZTIROTZVHY-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cn1cncc1Nc1ccc(CO)cc1Cl ZINC001211253858 970198574 /nfs/dbraw/zinc/19/85/74/970198574.db2.gz MCFHMAJXFAHKCB-UHFFFAOYSA-N 0 1 237.690 2.309 20 0 BEADMN Cn1cncc1Nc1cccc2cnoc21 ZINC001211252742 970200725 /nfs/dbraw/zinc/20/07/25/970200725.db2.gz XFPKALKHUBILCB-UHFFFAOYSA-N 0 1 214.228 2.305 20 0 BEADMN COc1cnccc1Nc1ccc2c(c1)COC2 ZINC001211262944 970209017 /nfs/dbraw/zinc/20/90/17/970209017.db2.gz PCSDGTUZLBKPQC-UHFFFAOYSA-N 0 1 242.278 2.286 20 0 BEADMN COc1cnccc1Nc1ccccc1 ZINC001211262166 970210330 /nfs/dbraw/zinc/21/03/30/970210330.db2.gz ACLJVMUBFAJWTJ-UHFFFAOYSA-N 0 1 200.241 2.256 20 0 BEADMN COc1cnccc1Nc1cnc2occc2c1 ZINC001211262606 970211725 /nfs/dbraw/zinc/21/17/25/970211725.db2.gz HZCOMNMVYPBIQS-UHFFFAOYSA-N 0 1 241.250 2.397 20 0 BEADMN COc1cnccc1Nc1c(N)ccc(C)c1C ZINC001211261063 970211790 /nfs/dbraw/zinc/21/17/90/970211790.db2.gz ZDRWVIBYZFTUNO-UHFFFAOYSA-N 0 1 243.310 2.455 20 0 BEADMN COc1ccccc1Nc1ccncc1OC ZINC001211262649 970211902 /nfs/dbraw/zinc/21/19/02/970211902.db2.gz KGORXJVEOIFJQZ-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN CC(C)CCC[C@@H](C)N1CC(=O)NC[C@H]1C ZINC001170087358 970213194 /nfs/dbraw/zinc/21/31/94/970213194.db2.gz DDLVXGNFNDXKAO-VXGBXAGGSA-N 0 1 226.364 2.022 20 0 BEADMN CCc1nnc(Nc2cccc(OC)n2)s1 ZINC001211295367 970219135 /nfs/dbraw/zinc/21/91/35/970219135.db2.gz AIGWTUDBTGBGAL-UHFFFAOYSA-N 0 1 236.300 2.248 20 0 BEADMN Nc1cncn1-c1ccc(Cl)nc1Cl ZINC001211273730 970219541 /nfs/dbraw/zinc/21/95/41/970219541.db2.gz FLLLXNJQYCDPGG-UHFFFAOYSA-N 0 1 229.070 2.156 20 0 BEADMN C[C@@H]1CC[C@H](NCc2nccnc2Cl)C1 ZINC001170090865 970231792 /nfs/dbraw/zinc/23/17/92/970231792.db2.gz AKZJVTONRFVUCY-BDAKNGLRSA-N 0 1 225.723 2.408 20 0 BEADMN COc1cnccc1-c1cc2nc[nH]c2cn1 ZINC001243070252 970273093 /nfs/dbraw/zinc/27/30/93/970273093.db2.gz CGPDUESGTSCWTL-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cn1cnc(Nc2ccnc(C(C)(C)C)c2)n1 ZINC001213160938 970284339 /nfs/dbraw/zinc/28/43/39/970284339.db2.gz TUBWXTKRPYMFBD-UHFFFAOYSA-N 0 1 231.303 2.251 20 0 BEADMN CCOC(=O)c1ccccc1Nc1nonc1C ZINC001213170876 970288508 /nfs/dbraw/zinc/28/85/08/970288508.db2.gz RQFYDZILIXWBQG-UHFFFAOYSA-N 0 1 247.254 2.298 20 0 BEADMN CC1(C)C[C@@H](N2CCn3cccc3C2)CCO1 ZINC001255549619 970324336 /nfs/dbraw/zinc/32/43/36/970324336.db2.gz MRNYOWMYJDEDBS-LBPRGKRZSA-N 0 1 234.343 2.261 20 0 BEADMN Cc1ncn(-c2cc(C3CC3)cnc2C)c1N ZINC001213495181 970326599 /nfs/dbraw/zinc/32/65/99/970326599.db2.gz VCDKOJHOTNNMST-UHFFFAOYSA-N 0 1 228.299 2.344 20 0 BEADMN C[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc([O-])cc2)C1 ZINC001170120064 970351646 /nfs/dbraw/zinc/35/16/46/970351646.db2.gz DXBUGZMFENDLBL-CMPLNLGQSA-N 0 1 233.311 2.353 20 0 BEADMN Cc1nn(C)c2cc(Nc3nnco3)ccc12 ZINC001213750411 970374224 /nfs/dbraw/zinc/37/42/24/970374224.db2.gz KSUOSOGPBGOZMK-UHFFFAOYSA-N 0 1 229.243 2.008 20 0 BEADMN CCC1(N[C@H](C)CC(F)(F)F)COC1 ZINC001255636916 970396172 /nfs/dbraw/zinc/39/61/72/970396172.db2.gz VCGIBHXQUNPORH-SSDOTTSWSA-N 0 1 211.227 2.096 20 0 BEADMN Cc1ncn(-c2cccc3[nH]c(=O)ccc32)c1N ZINC001213972673 970403414 /nfs/dbraw/zinc/40/34/14/970403414.db2.gz WRXKGXWSCQDEEP-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cc1ccc(NC2CN(C(C)C)C2)nc1C ZINC001157526330 970413404 /nfs/dbraw/zinc/41/34/04/970413404.db2.gz QPTCRMXXEHHXMZ-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN Cc1ncc2n1CCN([C@H]1CC[C@@H](C)C1)C2 ZINC001170137596 970413701 /nfs/dbraw/zinc/41/37/01/970413701.db2.gz OHEXOEXIJKDIFA-PWSUYJOCSA-N 0 1 219.332 2.196 20 0 BEADMN COc1cc(F)c(-n2cncc2N)cc1Cl ZINC001214060296 970425036 /nfs/dbraw/zinc/42/50/36/970425036.db2.gz JUSDRACLRYTBRP-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN OCc1cc(F)c(Nc2ccncc2)c(F)c1 ZINC001214085970 970431336 /nfs/dbraw/zinc/43/13/36/970431336.db2.gz HQAXGKNTJPZABP-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(N)cc1C ZINC001214110239 970436358 /nfs/dbraw/zinc/43/63/58/970436358.db2.gz MLJANLXLLXNNDU-UHFFFAOYSA-N 0 1 216.288 2.363 20 0 BEADMN C[C@H]1COCC[C@H]1Nc1ccc2c(n1)CCC2 ZINC000302440586 970440352 /nfs/dbraw/zinc/44/03/52/970440352.db2.gz UAEMITVBFHFAEL-CMPLNLGQSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1c(N)ccnc1-c1cc(N)ccc1F ZINC001243282826 970445807 /nfs/dbraw/zinc/44/58/07/970445807.db2.gz FVYOGQNGKHWNFL-UHFFFAOYSA-N 0 1 217.247 2.361 20 0 BEADMN CC[C@@H]1C[C@H](NCc2nc(C)co2)CCO1 ZINC001170162367 970508999 /nfs/dbraw/zinc/50/89/99/970508999.db2.gz SOQJVUTVLKJWHH-GHMZBOCLSA-N 0 1 224.304 2.030 20 0 BEADMN CSc1cccc(NC(=O)Nc2c[nH]nn2)c1 ZINC001214579507 970509788 /nfs/dbraw/zinc/50/97/88/970509788.db2.gz IODOEUMNAXSORY-UHFFFAOYSA-N 0 1 249.299 2.171 20 0 BEADMN CCN([C@@H](C)Cc1ccccc1F)C1COC1 ZINC001255850812 970515554 /nfs/dbraw/zinc/51/55/54/970515554.db2.gz IQNOULICWLSLDV-NSHDSACASA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001255854979 970520979 /nfs/dbraw/zinc/52/09/79/970520979.db2.gz SEXUBICOVQOCDZ-XBFCOCLRSA-N 0 1 248.345 2.145 20 0 BEADMN COCOc1c(C)cccc1-n1cnc(C)c1N ZINC001214848698 970543112 /nfs/dbraw/zinc/54/31/12/970543112.db2.gz MRXJALOVWWRVCP-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN Cc1cc(CO)cc(C)c1Nc1ccncc1 ZINC001214943656 970579135 /nfs/dbraw/zinc/57/91/35/970579135.db2.gz ACVLEGHLOCFNDW-UHFFFAOYSA-N 0 1 228.295 2.356 20 0 BEADMN Cc1nn(C)c(Cl)c1CN1CCC2(CC2)C1 ZINC000400428014 970589863 /nfs/dbraw/zinc/58/98/63/970589863.db2.gz BQWPZAHDKZNTCV-UHFFFAOYSA-N 0 1 239.750 2.368 20 0 BEADMN COCOc1cc(C)c(-n2cncc2N)c(C)c1 ZINC001215161641 970652204 /nfs/dbraw/zinc/65/22/04/970652204.db2.gz JSVQJPIIMYHMAM-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN COc1cccc(C[C@@H](C)NCc2ncco2)c1 ZINC001256140972 970671027 /nfs/dbraw/zinc/67/10/27/970671027.db2.gz NFRDXHVKZDXXJY-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN COc1cccc(C[C@H](C)N2CCOC[C@H]2C)c1 ZINC001256159890 970678632 /nfs/dbraw/zinc/67/86/32/970678632.db2.gz KJXRJVUQSSEALD-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN Cc1ccc(CN[C@@H]2CCCc3n[nH]cc32)o1 ZINC000401539251 970705273 /nfs/dbraw/zinc/70/52/73/970705273.db2.gz GWQZDRDRSUPVMA-GFCCVEGCSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1ccc(C)c(NC(=O)NCCN2CCC2)c1 ZINC001202774699 970736451 /nfs/dbraw/zinc/73/64/51/970736451.db2.gz PHNSIMLJPSBUAV-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN C[C@H](N(C)CN1CC2(CC2)CC1=O)C1(C)CC1 ZINC001327342095 972552396 /nfs/dbraw/zinc/55/23/96/972552396.db2.gz SUBJLUZMAKTTEQ-NSHDSACASA-N 0 1 236.359 2.077 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)OCc1nnc[nH]1 ZINC001327483936 972591505 /nfs/dbraw/zinc/59/15/05/972591505.db2.gz UBYHSMXJAJSCNF-NXEZZACHSA-N 0 1 237.303 2.064 20 0 BEADMN CC(C)N(Cc1cccs1)Cc1nnc[nH]1 ZINC001327547943 972623703 /nfs/dbraw/zinc/62/37/03/972623703.db2.gz YUWBKCYRUCSHJA-UHFFFAOYSA-N 0 1 236.344 2.277 20 0 BEADMN Cc1ccc(SCc2nnc[nH]2)s1 ZINC001327567107 972646233 /nfs/dbraw/zinc/64/62/33/972646233.db2.gz TYNNPGCPZSAXHD-UHFFFAOYSA-N 0 1 211.315 2.467 20 0 BEADMN CC1(C)SC[C@@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000393839052 972649632 /nfs/dbraw/zinc/64/96/32/972649632.db2.gz UPXWRLOIOYSOQW-QMMMGPOBSA-N 0 1 238.312 2.086 20 0 BEADMN CC1(C)SC[C@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000393839051 972649773 /nfs/dbraw/zinc/64/97/73/972649773.db2.gz UPXWRLOIOYSOQW-MRVPVSSYSA-N 0 1 238.312 2.086 20 0 BEADMN C[N@@H+](Cc1ccc2cc[nH]c2n1)[C@@H]1CCCOC1 ZINC001144187142 972674751 /nfs/dbraw/zinc/67/47/51/972674751.db2.gz WBWOJCMBQATJHR-CYBMUJFWSA-N 0 1 245.326 2.174 20 0 BEADMN CC1(F)CCN(Cc2ccc(O)cn2)CC1 ZINC001144252863 972715377 /nfs/dbraw/zinc/71/53/77/972715377.db2.gz AKGFGOJWCCHHNY-UHFFFAOYSA-N 0 1 224.279 2.111 20 0 BEADMN FC(F)(F)C(OCc1cnc[nH]1)C(F)(F)F ZINC001222999681 972792020 /nfs/dbraw/zinc/79/20/20/972792020.db2.gz FHARGBAIWXSJCR-UHFFFAOYSA-N 0 1 248.126 2.420 20 0 BEADMN CC1(C)C(=O)CCC[C@@H]1OCc1cnc[nH]1 ZINC001223006770 972797100 /nfs/dbraw/zinc/79/71/00/972797100.db2.gz DAKQKRBXAFLTLR-NSHDSACASA-N 0 1 222.288 2.074 20 0 BEADMN COC1=CC[C@@H](OCc2cnc[nH]2)CC1 ZINC001223008174 972798903 /nfs/dbraw/zinc/79/89/03/972798903.db2.gz WCVKQHCYTCZVBR-LLVKDONJSA-N 0 1 208.261 2.009 20 0 BEADMN CC(=O)[C@H](OCc1cnc[nH]1)c1ccccc1 ZINC001223008185 972800572 /nfs/dbraw/zinc/80/05/72/972800572.db2.gz WKVDCCHFMHLOCE-ZDUSSCGKSA-N 0 1 230.267 2.257 20 0 BEADMN CCC[C@@H](OCc1nn[nH]n1)c1ccccc1 ZINC001223027122 972806282 /nfs/dbraw/zinc/80/62/82/972806282.db2.gz LZRGSDSLFQYJMA-LLVKDONJSA-N 0 1 232.287 2.258 20 0 BEADMN CCC(CC)(CCn1cc[nH+]c1C)C(=O)[O-] ZINC000395591272 972808536 /nfs/dbraw/zinc/80/85/36/972808536.db2.gz KSPRQSGWFJTGFH-UHFFFAOYSA-N 0 1 224.304 2.473 20 0 BEADMN COc1ccc(CN2CCC[C@H]3C[C@H]32)nc1 ZINC001144433273 972818287 /nfs/dbraw/zinc/81/82/87/972818287.db2.gz AMDCRMIDTSUUDF-GXFFZTMASA-N 0 1 218.300 2.075 20 0 BEADMN CC1(C)Cc2cccc(NCc3nnc[nH]3)c2O1 ZINC001327956127 972828216 /nfs/dbraw/zinc/82/82/16/972828216.db2.gz DWPRFEUSENAUDF-UHFFFAOYSA-N 0 1 244.298 2.130 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)OCc1nnc[nH]1 ZINC001327978572 972839357 /nfs/dbraw/zinc/83/93/57/972839357.db2.gz LSWNTEWVZWONFJ-SNVBAGLBSA-N 0 1 239.319 2.310 20 0 BEADMN CCCOc1cccc(NCc2nnc[nH]2)c1 ZINC001328488199 973092268 /nfs/dbraw/zinc/09/22/68/973092268.db2.gz SKNAZSIMNQKJPV-UHFFFAOYSA-N 0 1 232.287 2.206 20 0 BEADMN Cn1cc(CNC/C=C/C2CC2)c(Cl)n1 ZINC001328482729 973096350 /nfs/dbraw/zinc/09/63/50/973096350.db2.gz QHOGGRWJTNMAAB-NSCUHMNNSA-N 0 1 225.723 2.129 20 0 BEADMN Cc1ccc(N2CC3(CCN3C)C2)c(C)c1 ZINC001276896314 973130989 /nfs/dbraw/zinc/13/09/89/973130989.db2.gz DATXIKRNZNHTLV-UHFFFAOYSA-N 0 1 216.328 2.198 20 0 BEADMN Cc1conc1CN1CC2CCC1CC2 ZINC001330657130 1169958346 /nfs/dbraw/zinc/95/83/46/1169958346.db2.gz ZHBCJGQGTGQMKG-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc([S-])cc1)C2 ZINC001276905902 973195145 /nfs/dbraw/zinc/19/51/45/973195145.db2.gz WOCJAEJLPIAREF-OLZOCXBDSA-N 0 1 248.395 2.111 20 0 BEADMN CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc([S-])cc1)C2 ZINC001276905902 973195157 /nfs/dbraw/zinc/19/51/57/973195157.db2.gz WOCJAEJLPIAREF-OLZOCXBDSA-N 0 1 248.395 2.111 20 0 BEADMN CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001276905902 973195165 /nfs/dbraw/zinc/19/51/65/973195165.db2.gz WOCJAEJLPIAREF-OLZOCXBDSA-N 0 1 248.395 2.111 20 0 BEADMN CC[C@]1(C)CCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC000399420540 973219098 /nfs/dbraw/zinc/21/90/98/973219098.db2.gz JUTFQFLAJIKMNG-CYBMUJFWSA-N 0 1 234.299 2.406 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000399568300 973228302 /nfs/dbraw/zinc/22/83/02/973228302.db2.gz NWHJAYQUWCNFQQ-OPRDCNLKSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H](C)[C@H]1C ZINC000399588619 973229843 /nfs/dbraw/zinc/22/98/43/973229843.db2.gz KWBLYGPGKODOGZ-VWYCJHECSA-N 0 1 248.326 2.256 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000399645120 973232269 /nfs/dbraw/zinc/23/22/69/973232269.db2.gz ZKKJPUFVIWNOGI-OUAUKWLOSA-N 0 1 248.326 2.256 20 0 BEADMN C[C@H]1[C@@H](C)[N@H+](Cc2ccc(C(=O)[O-])cn2)C[C@H]1C ZINC000399645111 973232749 /nfs/dbraw/zinc/23/27/49/973232749.db2.gz ZKKJPUFVIWNOGI-GMTAPVOTSA-N 0 1 248.326 2.256 20 0 BEADMN Cc1nnc(S[C@H](C)c2ccncc2)[nH]1 ZINC001328654413 973236961 /nfs/dbraw/zinc/23/69/61/973236961.db2.gz VFQBMCXPCNEDML-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN Cc1n[nH]c(S[C@H](C)c2ccncc2)n1 ZINC001328654413 973236977 /nfs/dbraw/zinc/23/69/77/973236977.db2.gz VFQBMCXPCNEDML-SSDOTTSWSA-N 0 1 220.301 2.361 20 0 BEADMN CN(C)c1cc(NC(=O)CC2=CCCCC2)n[nH]1 ZINC001146734826 973245120 /nfs/dbraw/zinc/24/51/20/973245120.db2.gz OVRHOESCVGRFBF-UHFFFAOYSA-N 0 1 248.330 2.305 20 0 BEADMN Cc1ncc(C(=O)N2CCCC[C@](C)(F)C2)[nH]1 ZINC001146863138 973277056 /nfs/dbraw/zinc/27/70/56/973277056.db2.gz ILOHPZXCFZZESH-LBPRGKRZSA-N 0 1 239.294 2.072 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2c1ccccc1F ZINC001276934779 973358844 /nfs/dbraw/zinc/35/88/44/973358844.db2.gz AZHZFAWQHNFNLW-PHIMTYICSA-N 0 1 220.291 2.109 20 0 BEADMN C[C@H](O[C@H]1CN2CCC1CC2)c1nccs1 ZINC001224003957 973393909 /nfs/dbraw/zinc/39/39/09/973393909.db2.gz PIJSDIAGRKNICM-ONGXEEELSA-N 0 1 238.356 2.315 20 0 BEADMN Oc1ccc2c(c1)CN(CC1CCC(O)CC1)C2 ZINC001328938917 973397435 /nfs/dbraw/zinc/39/74/35/973397435.db2.gz DXJSWQWPOMRCBP-UHFFFAOYSA-N 0 1 247.338 2.259 20 0 BEADMN CN(Cc1ccccc1C1CC1)C(C)(C)C(N)=O ZINC001329015941 973428300 /nfs/dbraw/zinc/42/83/00/973428300.db2.gz HUEGKHZHPLPBAM-UHFFFAOYSA-N 0 1 246.354 2.260 20 0 BEADMN CC1(C)CC[C@@H](Nc2ncnc3c2CCNC3)C1 ZINC001161032656 973453147 /nfs/dbraw/zinc/45/31/47/973453147.db2.gz SHRAPBMZXIOZLN-SNVBAGLBSA-N 0 1 246.358 2.113 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC=CCC1 ZINC000402137382 973599564 /nfs/dbraw/zinc/59/95/64/973599564.db2.gz GMWFQOUAKWUKFR-GFCCVEGCSA-N 0 1 225.332 2.385 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000402224175 973604104 /nfs/dbraw/zinc/60/41/04/973604104.db2.gz URGAZGLCLFHGCU-NWDGAFQWSA-N 0 1 223.316 2.282 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403256589 973669331 /nfs/dbraw/zinc/66/93/31/973669331.db2.gz WHWJEGQLMDAXSF-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC=C(Cl)Cl ZINC000403317505 973671587 /nfs/dbraw/zinc/67/15/87/973671587.db2.gz GJSULQYKMDDMHD-VIFPVBQESA-N 0 1 238.114 2.245 20 0 BEADMN CCCn1cc(CN[C@@H]2CCC[C@@H](F)C2)nn1 ZINC001329349322 973693296 /nfs/dbraw/zinc/69/32/96/973693296.db2.gz MJDVCKGMTGSPNN-GHMZBOCLSA-N 0 1 240.326 2.058 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccns1 ZINC000404690208 973742620 /nfs/dbraw/zinc/74/26/20/973742620.db2.gz RLKHBKOPHQPHPL-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccsc1 ZINC001147765360 973748347 /nfs/dbraw/zinc/74/83/47/973748347.db2.gz TUMRNZBXTHIBFH-UHFFFAOYSA-N 0 1 221.285 2.286 20 0 BEADMN Cc1nnc(S[C@H](C)C(=O)C(C)(C)C)[nH]1 ZINC001329710312 973893600 /nfs/dbraw/zinc/89/36/00/973893600.db2.gz WUMGQMUEFMTVBC-ZCFIWIBFSA-N 0 1 227.333 2.209 20 0 BEADMN Cc1n[nH]c(S[C@H](C)C(=O)C(C)(C)C)n1 ZINC001329710312 973893610 /nfs/dbraw/zinc/89/36/10/973893610.db2.gz WUMGQMUEFMTVBC-ZCFIWIBFSA-N 0 1 227.333 2.209 20 0 BEADMN CNCc1nc(-c2ccc3scnc3c2)no1 ZINC001247431719 973938135 /nfs/dbraw/zinc/93/81/35/973938135.db2.gz NTFSZKKBHLEPAZ-UHFFFAOYSA-N 0 1 246.295 2.066 20 0 BEADMN CNCc1nc(-c2cccc3cnccc32)no1 ZINC001247432074 973939015 /nfs/dbraw/zinc/93/90/15/973939015.db2.gz RXEHDOQXEHNQID-UHFFFAOYSA-N 0 1 240.266 2.004 20 0 BEADMN Fc1cccc2c1CC[C@@H](NCc1ccon1)C2 ZINC001171396201 974001893 /nfs/dbraw/zinc/00/18/93/974001893.db2.gz LKUZDKKNTYJXRS-LLVKDONJSA-N 0 1 246.285 2.461 20 0 BEADMN CN(C1COC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171433256 974050376 /nfs/dbraw/zinc/05/03/76/974050376.db2.gz KPVTVLBOQGPRFE-NSHDSACASA-N 0 1 235.302 2.014 20 0 BEADMN CCc1ccc(F)c(Nc2nccnc2CN)c1 ZINC001171450241 974074431 /nfs/dbraw/zinc/07/44/31/974074431.db2.gz XPQTWVRSCYHLOK-UHFFFAOYSA-N 0 1 246.289 2.380 20 0 BEADMN CC(C)(C)N1CC(OCCc2ccncc2)C1 ZINC001224953476 974095187 /nfs/dbraw/zinc/09/51/87/974095187.db2.gz HRSNMYLALYIPCC-UHFFFAOYSA-N 0 1 234.343 2.123 20 0 BEADMN COC1CN([C@H]2CCc3c(C)cccc3C2)C1 ZINC001171566812 974102735 /nfs/dbraw/zinc/10/27/35/974102735.db2.gz ZVMFHFBXMMTKQA-ZDUSSCGKSA-N 0 1 231.339 2.183 20 0 BEADMN COC1CN([C@@H]2CCc3c(C)cccc3C2)C1 ZINC001171566811 974103623 /nfs/dbraw/zinc/10/36/23/974103623.db2.gz ZVMFHFBXMMTKQA-CYBMUJFWSA-N 0 1 231.339 2.183 20 0 BEADMN CCc1nc([C@H](C)SC2=NCCS2)n[nH]1 ZINC001330231777 974172885 /nfs/dbraw/zinc/17/28/85/974172885.db2.gz DZDDUQBZNQAPFC-LURJTMIESA-N 0 1 242.373 2.264 20 0 BEADMN CO[C@H](CSc1nnc(C)[nH]1)C1CCCC1 ZINC001330256770 974189598 /nfs/dbraw/zinc/18/95/98/974189598.db2.gz IRVQNRLEQPUEEE-SNVBAGLBSA-N 0 1 241.360 2.410 20 0 BEADMN c1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)ccn1 ZINC001204079992 974230181 /nfs/dbraw/zinc/23/01/81/974230181.db2.gz CCOJRBDZLMDGEM-UONOGXRCSA-N 0 1 232.327 2.083 20 0 BEADMN Cc1ccccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001225218793 974252831 /nfs/dbraw/zinc/25/28/31/974252831.db2.gz GSGNYXYPHWBUPJ-NJZAAPMLSA-N 0 1 245.322 2.178 20 0 BEADMN Cc1ccccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001225218793 974252840 /nfs/dbraw/zinc/25/28/40/974252840.db2.gz GSGNYXYPHWBUPJ-NJZAAPMLSA-N 0 1 245.322 2.178 20 0 BEADMN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1=CC=C[CH]1)C2 ZINC001172113599 974385172 /nfs/dbraw/zinc/38/51/72/974385172.db2.gz DSJDVDOYMPABIU-ZSOGYDGISA-N 0 1 217.336 2.249 20 0 BEADMN c1ccc2c(c1)C[C@H](N1CC3(COC3)C1)CS2 ZINC001172193650 974480161 /nfs/dbraw/zinc/48/01/61/974480161.db2.gz NLVZKNREJFAAGJ-LBPRGKRZSA-N 0 1 247.363 2.036 20 0 BEADMN Cc1ccc(F)c(CN[C@H]2COC(C)(C)C2)n1 ZINC001172276018 974494303 /nfs/dbraw/zinc/49/43/03/974494303.db2.gz BPFPPPYUWDIPDW-SNVBAGLBSA-N 0 1 238.306 2.186 20 0 BEADMN CCN1CC[C@@H](Oc2c(F)cccc2OC)C1 ZINC001225448149 974497287 /nfs/dbraw/zinc/49/72/87/974497287.db2.gz PGFXJYNMRVWCFE-SNVBAGLBSA-N 0 1 239.290 2.307 20 0 BEADMN CC[C@@H](C)OCC[C@@H](C)NCc1nonc1C ZINC001172322937 974533881 /nfs/dbraw/zinc/53/38/81/974533881.db2.gz ZHJRDAMPHGAZPF-NXEZZACHSA-N 0 1 241.335 2.061 20 0 BEADMN CC1(C)C[C@@H](N2CCc3ncccc3C2)CO1 ZINC001172285725 974545548 /nfs/dbraw/zinc/54/55/48/974545548.db2.gz AHKRAZZNONKPFU-GFCCVEGCSA-N 0 1 232.327 2.007 20 0 BEADMN CC1(C)C[C@@H](N2CCc3cnccc3C2)CO1 ZINC001172284550 974547090 /nfs/dbraw/zinc/54/70/90/974547090.db2.gz UKKXQCIZUPJIOC-CYBMUJFWSA-N 0 1 232.327 2.007 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2ccc([S-])cc2)C1 ZINC001225555379 974550653 /nfs/dbraw/zinc/55/06/53/974550653.db2.gz MLZQHAUCARTLAG-LLVKDONJSA-N 0 1 223.341 2.448 20 0 BEADMN CC1(C)C[C@@H](N2CCC[C@H]2c2cnccn2)CO1 ZINC001172286957 974550684 /nfs/dbraw/zinc/55/06/84/974550684.db2.gz OGIPYHIIAPKIOC-YPMHNXCESA-N 0 1 247.342 2.181 20 0 BEADMN C[C@H]1c2cccn2CCN1[C@H]1COC(C)(C)C1 ZINC001172288872 974555686 /nfs/dbraw/zinc/55/56/86/974555686.db2.gz MXAHSVPVHGRKNZ-NWDGAFQWSA-N 0 1 234.343 2.432 20 0 BEADMN Cc1cnc2c(c1)CN([C@H]1COC(C)(C)C1)CC2 ZINC001172293582 974558750 /nfs/dbraw/zinc/55/87/50/974558750.db2.gz IQVNDLDRFCMWHR-CYBMUJFWSA-N 0 1 246.354 2.316 20 0 BEADMN CC(C)(C)N1CC(Oc2nc3ccccc3[nH]2)C1 ZINC001225576261 974560762 /nfs/dbraw/zinc/56/07/62/974560762.db2.gz GQQPZBGXVHUBIA-UHFFFAOYSA-N 0 1 245.326 2.424 20 0 BEADMN CC[C@@H](C)OCC[C@H](C)N(C)CC(C)=O ZINC001172333986 974599508 /nfs/dbraw/zinc/59/95/08/974599508.db2.gz BCKJXWPOXLSOBX-CMPLNLGQSA-N 0 1 215.337 2.101 20 0 BEADMN C[C@@H]1CC[C@@H](N[C@H]2CCSC2=O)C[C@H]1C ZINC001172360482 974632041 /nfs/dbraw/zinc/63/20/41/974632041.db2.gz UZXADBSAHPBNLZ-DBIOUOCHSA-N 0 1 227.373 2.433 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CCSC2=O)C[C@@H]1C ZINC001172360483 974633223 /nfs/dbraw/zinc/63/32/23/974633223.db2.gz UZXADBSAHPBNLZ-RCWTZXSCSA-N 0 1 227.373 2.433 20 0 BEADMN CCOCC[C@H](C)NCc1cscn1 ZINC001172407738 974666923 /nfs/dbraw/zinc/66/69/23/974666923.db2.gz YLIMEBGZEQHVSE-VIFPVBQESA-N 0 1 214.334 2.048 20 0 BEADMN CN1CCC[C@@H](Oc2c(O)cccc2F)C1 ZINC001225800817 974688698 /nfs/dbraw/zinc/68/86/98/974688698.db2.gz NCSMAZCUZNUHRP-SECBINFHSA-N 0 1 225.263 2.004 20 0 BEADMN CCOCC[C@H](C)N1CCn2cccc2C1 ZINC001172425358 974698364 /nfs/dbraw/zinc/69/83/64/974698364.db2.gz VUQAJQCFODYINF-LBPRGKRZSA-N 0 1 222.332 2.119 20 0 BEADMN Cc1cnc(CN[C@H](C)CCOC(C)C)nc1 ZINC001172431260 974712178 /nfs/dbraw/zinc/71/21/78/974712178.db2.gz MJXRCTIGGXBQKP-GFCCVEGCSA-N 0 1 237.347 2.078 20 0 BEADMN Fc1ccc(F)c(O[C@@H]2CN3CCC2CC3)c1 ZINC001225902887 974723466 /nfs/dbraw/zinc/72/34/66/974723466.db2.gz QNAATZJIASSSPH-CYBMUJFWSA-N 0 1 239.265 2.438 20 0 BEADMN CC(C)CC(C)(C)C(=O)NCc1cc(N)ccn1 ZINC001331444727 974724993 /nfs/dbraw/zinc/72/49/93/974724993.db2.gz VLMLHCUCVYJFNX-UHFFFAOYSA-N 0 1 249.358 2.352 20 0 BEADMN CC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1F ZINC001225967861 974745482 /nfs/dbraw/zinc/74/54/82/974745482.db2.gz ZMESKELXEYVTNB-NSHDSACASA-N 0 1 237.274 2.111 20 0 BEADMN O=c1cc(C(F)(F)F)nc(OC2CCC2)[nH]1 ZINC001225979637 974749151 /nfs/dbraw/zinc/74/91/51/974749151.db2.gz IJOXTOKIDHQWJA-UHFFFAOYSA-N 0 1 234.177 2.132 20 0 BEADMN CC1(C)C[C@H](Oc2cccc3[nH]nnc32)CCO1 ZINC001225990725 974750880 /nfs/dbraw/zinc/75/08/80/974750880.db2.gz IGIATRKMSJHKBO-SECBINFHSA-N 0 1 247.298 2.294 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@H]2Oc1cccc2[nH]nnc21 ZINC001225990973 974755192 /nfs/dbraw/zinc/75/51/92/974755192.db2.gz PGSVBONHBCALRF-YGOYTEALSA-N 0 1 227.267 2.301 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)C1CC1 ZINC001225998481 974756420 /nfs/dbraw/zinc/75/64/20/974756420.db2.gz WDZCOAZJWRVLEH-ZETCQYMHSA-N 0 1 203.245 2.135 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC001331598815 974773019 /nfs/dbraw/zinc/77/30/19/974773019.db2.gz UPTGOQUDRHPBPG-SDDRHHMPSA-N 0 1 240.391 2.410 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@@H](C)CC(C)C)n1 ZINC001226156838 974811748 /nfs/dbraw/zinc/81/17/48/974811748.db2.gz RXBRAQTVPRFAHG-VIFPVBQESA-N 0 1 210.277 2.304 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)CC(C)C)n1 ZINC001226156836 974812495 /nfs/dbraw/zinc/81/24/95/974812495.db2.gz RXBRAQTVPRFAHG-SECBINFHSA-N 0 1 210.277 2.304 20 0 BEADMN CC1(C)C[C@@H](Oc2n[nH]c3ncccc23)CCO1 ZINC001226301632 974849635 /nfs/dbraw/zinc/84/96/35/974849635.db2.gz CSNFULUQBYTNRP-VIFPVBQESA-N 0 1 247.298 2.294 20 0 BEADMN c1cnc2[nH]nc(O[C@H]3C=CCCC3)c2c1 ZINC001226301832 974849840 /nfs/dbraw/zinc/84/98/40/974849840.db2.gz GIIXFALEWVXLMU-VIFPVBQESA-N 0 1 215.256 2.445 20 0 BEADMN C1=CCC(Oc2n[nH]c3ncccc23)C1 ZINC001226303313 974851495 /nfs/dbraw/zinc/85/14/95/974851495.db2.gz TUOXRBHAHOTVEG-UHFFFAOYSA-N 0 1 201.229 2.055 20 0 BEADMN CCC[C@@H](Oc1nccc(=O)[nH]1)C(C)C ZINC001226324377 974852731 /nfs/dbraw/zinc/85/27/31/974852731.db2.gz NOXZPIZTMBCSLJ-SECBINFHSA-N 0 1 210.277 2.386 20 0 BEADMN C[C@H](Oc1nccc(=O)[nH]1)c1ccccc1F ZINC001226325321 974855830 /nfs/dbraw/zinc/85/58/30/974855830.db2.gz ZXWGHYPQQSIMAG-QMMMGPOBSA-N 0 1 234.230 2.461 20 0 BEADMN C[C@H](Cc1ccccc1)Oc1nccc(=O)[nH]1 ZINC001226325258 974856510 /nfs/dbraw/zinc/85/65/10/974856510.db2.gz YRFWXURYQNVDRI-SNVBAGLBSA-N 0 1 230.267 2.192 20 0 BEADMN O=c1ccnc(O[C@@H]2CCC=CCCC2)[nH]1 ZINC001226326329 974859191 /nfs/dbraw/zinc/85/91/91/974859191.db2.gz JOYXGTCJMMCKAA-SNVBAGLBSA-N 0 1 220.272 2.450 20 0 BEADMN C[C@H]1CCC[C@H](C)C1Oc1nccc(=O)[nH]1 ZINC001226327216 974860836 /nfs/dbraw/zinc/86/08/36/974860836.db2.gz TVDPMVGGXLIZPW-IUCAKERBSA-N 0 1 222.288 2.386 20 0 BEADMN Nc1cc(O[C@@H]2CCCOC2)c2ccccc2n1 ZINC001226415975 974889372 /nfs/dbraw/zinc/88/93/72/974889372.db2.gz BOBGGPJIFPOAKR-SNVBAGLBSA-N 0 1 244.294 2.375 20 0 BEADMN Cc1nc(O[C@H]2CCCC[C@H]2F)c(F)c(=O)[nH]1 ZINC001226423115 974892086 /nfs/dbraw/zinc/89/20/86/974892086.db2.gz DSUYZHYRAIWGRH-SFYZADRCSA-N 0 1 244.241 2.289 20 0 BEADMN CCc1cccc(CC)c1NC[C@H]1COCCN1 ZINC000258626368 974898617 /nfs/dbraw/zinc/89/86/17/974898617.db2.gz KBFMUXZBDOEFPY-AWEZNQCLSA-N 0 1 248.370 2.212 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2ccncc2C)no1 ZINC001212678831 974906622 /nfs/dbraw/zinc/90/66/22/974906622.db2.gz SZDXHSHBESPPHC-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN CC(C)OC(=O)CC[C@H](C)N1C[C@@H](C)[C@@H](F)C1 ZINC001172755240 974928491 /nfs/dbraw/zinc/92/84/91/974928491.db2.gz NIAFZCNFTQZHSF-WOPDTQHZSA-N 0 1 245.338 2.397 20 0 BEADMN Cc1ccc2c(c1)C[C@H](N1CCO[C@@H]3C[C@@H]31)CC2 ZINC001172844490 974959638 /nfs/dbraw/zinc/95/96/38/974959638.db2.gz UDTYIZGEZLUGNB-OWCLPIDISA-N 0 1 243.350 2.325 20 0 BEADMN CO[C@@H]1CCC[C@@H](N2CCn3cccc3C2)C1 ZINC001172934402 974985628 /nfs/dbraw/zinc/98/56/28/974985628.db2.gz AVVCKWIJGXHMHB-TZMCWYRMSA-N 0 1 234.343 2.261 20 0 BEADMN CCC[C@@H](CC)Oc1[nH]c(=O)nc2cnncc21 ZINC001226688970 975024662 /nfs/dbraw/zinc/02/46/62/975024662.db2.gz XJLDYCNFLSLRNM-MRVPVSSYSA-N 0 1 248.286 2.083 20 0 BEADMN Cc1coc(CN[C@H]2CCc3ncsc3C2)n1 ZINC001173122661 975031267 /nfs/dbraw/zinc/03/12/67/975031267.db2.gz QVKYTWHHHOHCPS-VIFPVBQESA-N 0 1 249.339 2.087 20 0 BEADMN Cc1coc(CN[C@@H]2CCc3ncsc3C2)n1 ZINC001173122660 975032610 /nfs/dbraw/zinc/03/26/10/975032610.db2.gz QVKYTWHHHOHCPS-SECBINFHSA-N 0 1 249.339 2.087 20 0 BEADMN CN(Cc1ccon1)[C@@H]1CCc2ncsc2C1 ZINC001173140215 975046496 /nfs/dbraw/zinc/04/64/96/975046496.db2.gz CIOJNWYYDKPUBO-SNVBAGLBSA-N 0 1 249.339 2.120 20 0 BEADMN COc1cccc2c1C[C@H](N1CC[C@@H]1C)CO2 ZINC001173151836 975047604 /nfs/dbraw/zinc/04/76/04/975047604.db2.gz KTVYBRHYCXGRAK-QWRGUYRKSA-N 0 1 233.311 2.093 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)OCc1nnc[nH]1 ZINC001332338083 975062284 /nfs/dbraw/zinc/06/22/84/975062284.db2.gz AIVRWJZLBXZRHD-CABZTGNLSA-N 0 1 237.303 2.064 20 0 BEADMN CC[C@@H]1CCC[C@]1(C)C(=O)OCc1nnc[nH]1 ZINC001332338137 975064052 /nfs/dbraw/zinc/06/40/52/975064052.db2.gz AIVRWJZLBXZRHD-SKDRFNHKSA-N 0 1 237.303 2.064 20 0 BEADMN CC(=O)c1c(O)cccc1O[C@H]1CCCN(C)C1 ZINC001226772593 975073726 /nfs/dbraw/zinc/07/37/26/975073726.db2.gz CHYCAZDPNPENQC-NSHDSACASA-N 0 1 249.310 2.068 20 0 BEADMN CC(=O)c1c(O)cccc1OC1CCN(C)CC1 ZINC001226775752 975075314 /nfs/dbraw/zinc/07/53/14/975075314.db2.gz XETYELZNRFAHSR-UHFFFAOYSA-N 0 1 249.310 2.068 20 0 BEADMN CC(C)c1ocnc1CN1C[C@@H]2C[C@@H]2C1 ZINC001332366327 975075460 /nfs/dbraw/zinc/07/54/60/975075460.db2.gz XBYURDJQDVMTRF-AOOOYVTPSA-N 0 1 206.289 2.250 20 0 BEADMN CC[C@@H]1CC[C@H](N2Cc3cncnc3C2)C1 ZINC001173275855 975083138 /nfs/dbraw/zinc/08/31/38/975083138.db2.gz WHWAHXJQBGWNRD-PWSUYJOCSA-N 0 1 217.316 2.371 20 0 BEADMN CC[C@@H]1CC[C@@H](N2Cc3cncnc3C2)C1 ZINC001173275856 975083985 /nfs/dbraw/zinc/08/39/85/975083985.db2.gz WHWAHXJQBGWNRD-ZYHUDNBSSA-N 0 1 217.316 2.371 20 0 BEADMN CCc1ccc(C[C@H](C)N2CC(C)(O)C2)cc1 ZINC001173253376 975093432 /nfs/dbraw/zinc/09/34/32/975093432.db2.gz SIWQIWNCXATBPV-LBPRGKRZSA-N 0 1 233.355 2.247 20 0 BEADMN CC[C@@H]1CC[C@H](n2c(C)cnc2CN)C1 ZINC001173264988 975123407 /nfs/dbraw/zinc/12/34/07/975123407.db2.gz XQJMEGFANAGLON-MNOVXSKESA-N 0 1 207.321 2.401 20 0 BEADMN c1nc2ccc(OC[C@H]3CCCO3)cc2[nH]1 ZINC001226928787 975154849 /nfs/dbraw/zinc/15/48/49/975154849.db2.gz RLMXRVWWYRBUIZ-SNVBAGLBSA-N 0 1 218.256 2.121 20 0 BEADMN c1nc2ccc(O[C@H]3CCCOC3)cc2[nH]1 ZINC001226928529 975157356 /nfs/dbraw/zinc/15/73/56/975157356.db2.gz NEMFZTBGRNWIMM-JTQLQIEISA-N 0 1 218.256 2.121 20 0 BEADMN CCSC[C@@H](C)N1CCC[C@]1(C)C(=O)OC ZINC001173298675 975188707 /nfs/dbraw/zinc/18/87/07/975188707.db2.gz BNXKCZCBKPTLOC-ZYHUDNBSSA-N 0 1 245.388 2.156 20 0 BEADMN Cc1nocc1Nc1ccnn1-c1ccncc1 ZINC001212720162 975188764 /nfs/dbraw/zinc/18/87/64/975188764.db2.gz AZARDLXEATUNPS-UHFFFAOYSA-N 0 1 241.254 2.307 20 0 BEADMN CC[C@H](Oc1cc(=O)[nH]c(OC)n1)C(C)C ZINC001227001995 975214550 /nfs/dbraw/zinc/21/45/50/975214550.db2.gz JVKLORCGWJHPFN-QMMMGPOBSA-N 0 1 226.276 2.004 20 0 BEADMN COc1nc(O[C@H]2CCC[C@H](C)C2)cc(=O)[nH]1 ZINC001227000888 975215809 /nfs/dbraw/zinc/21/58/09/975215809.db2.gz UHMRNRULVGEEST-IUCAKERBSA-N 0 1 238.287 2.148 20 0 BEADMN COc1nc(OC2CCCCCC2)cc(=O)[nH]1 ZINC001227000491 975217482 /nfs/dbraw/zinc/21/74/82/975217482.db2.gz KXQOXSSNUUOXBR-UHFFFAOYSA-N 0 1 238.287 2.292 20 0 BEADMN CC(=O)c1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1 ZINC001332652435 975238845 /nfs/dbraw/zinc/23/88/45/975238845.db2.gz CLMGCXWNDPSJFK-UHFFFAOYSA-N 0 1 249.310 2.184 20 0 BEADMN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1(C)C ZINC001332672989 975246654 /nfs/dbraw/zinc/24/66/54/975246654.db2.gz DHCBNZKYNAUKBU-NXEZZACHSA-N 0 1 247.342 2.160 20 0 BEADMN CC[C@@H]1CC[C@@H](N(C)[C@H](C)C(=O)OC)C1 ZINC001173289833 975258185 /nfs/dbraw/zinc/25/81/85/975258185.db2.gz UYNKLSMFCYVIEV-GMTAPVOTSA-N 0 1 213.321 2.058 20 0 BEADMN c1nnc(CN(CCc2ccccc2)C2CC2)[nH]1 ZINC001332761192 975279997 /nfs/dbraw/zinc/27/99/97/975279997.db2.gz NPYKBUNBMZPPIU-UHFFFAOYSA-N 0 1 242.326 2.012 20 0 BEADMN Cc1[nH]c(=O)nc(OC2CC=CC2)c1Cl ZINC001227111525 975280904 /nfs/dbraw/zinc/28/09/04/975280904.db2.gz MUEFQLDIWIAVQO-UHFFFAOYSA-N 0 1 226.663 2.241 20 0 BEADMN CCN1CC[C@H](Oc2ncccc2Cl)C1 ZINC001227116550 975284521 /nfs/dbraw/zinc/28/45/21/975284521.db2.gz UYEHFLLQVNXKSE-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN C[C@@H]1CCCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC001332921914 975322693 /nfs/dbraw/zinc/32/26/93/975322693.db2.gz IMJYZSMGWFRTIT-LLVKDONJSA-N 0 1 249.358 2.104 20 0 BEADMN Cc1nnc(SCc2ccc(C)nc2)[nH]1 ZINC001332928362 975324634 /nfs/dbraw/zinc/32/46/34/975324634.db2.gz HNXIHFUXQPICBL-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN Clc1ccc2nc(OC[C@H]3CCO3)[nH]c2c1 ZINC001227262648 975339696 /nfs/dbraw/zinc/33/96/96/975339696.db2.gz UNMFMFDFHHWCMV-MRVPVSSYSA-N 0 1 238.674 2.384 20 0 BEADMN Cc1cccc2nc(OC3CC4(COC4)C3)[nH]c21 ZINC001227268342 975344296 /nfs/dbraw/zinc/34/42/96/975344296.db2.gz OAJKFFXMBKMHMR-UHFFFAOYSA-N 0 1 244.294 2.429 20 0 BEADMN CC(C)C[C@@H](C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271025 975347838 /nfs/dbraw/zinc/34/78/38/975347838.db2.gz PTHNBGVKUGZRDZ-MRVPVSSYSA-N 0 1 235.287 2.477 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1nncs1 ZINC001332992105 975359396 /nfs/dbraw/zinc/35/93/96/975359396.db2.gz SVZUXOGANKQBBS-RKDXNWHRSA-N 0 1 211.334 2.206 20 0 BEADMN Cc1nc2cc(NCC3(CO)CCC3)ccc2[nH]1 ZINC000259024879 975401991 /nfs/dbraw/zinc/40/19/91/975401991.db2.gz PWAMLDUMMSVIPI-UHFFFAOYSA-N 0 1 245.326 2.446 20 0 BEADMN OCc1cc(Nc2ccccc2O)ccn1 ZINC001206202131 975410396 /nfs/dbraw/zinc/41/03/96/975410396.db2.gz XFORJBCCGTUYFT-UHFFFAOYSA-N 0 1 216.240 2.023 20 0 BEADMN CC[C@@H](C)[C@@H](C[N@@H+](C)C(C)(C)CC(=O)[O-])OC ZINC001333135900 975476033 /nfs/dbraw/zinc/47/60/33/975476033.db2.gz GAOLIXQRWXALFI-GHMZBOCLSA-N 0 1 245.363 2.233 20 0 BEADMN CCOC(=O)C[C@@H]1CC[C@@H](NCC(C)(F)F)C1 ZINC001173621088 975490705 /nfs/dbraw/zinc/49/07/05/975490705.db2.gz TYXDJRAQNRKZJX-NXEZZACHSA-N 0 1 249.301 2.353 20 0 BEADMN CCCC[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227531624 975509103 /nfs/dbraw/zinc/50/91/03/975509103.db2.gz LFBLNGBRRAFXGY-MRVPVSSYSA-N 0 1 220.276 2.310 20 0 BEADMN CC(C)C[C@H](C)Oc1ncnc2nc[nH]c21 ZINC001227532624 975510158 /nfs/dbraw/zinc/51/01/58/975510158.db2.gz ZMJSBZRSSXVGRW-QMMMGPOBSA-N 0 1 220.276 2.166 20 0 BEADMN C[C@@H]1CCC[C@H](Oc2ncnc3nc[nH]c32)C1 ZINC001227532343 975514115 /nfs/dbraw/zinc/51/41/15/975514115.db2.gz SSBPEVWCPCKOPU-BDAKNGLRSA-N 0 1 232.287 2.310 20 0 BEADMN CCC[C@@H](CC)Oc1ncnc2nc[nH]c21 ZINC001227532349 975514166 /nfs/dbraw/zinc/51/41/66/975514166.db2.gz SSCVGSIRBAHZJN-MRVPVSSYSA-N 0 1 220.276 2.310 20 0 BEADMN Cc1ncn(C)c1Nc1cc(C)cc(CO)c1 ZINC001212753446 975554031 /nfs/dbraw/zinc/55/40/31/975554031.db2.gz SFJDCCBIKFCGBV-UHFFFAOYSA-N 0 1 231.299 2.273 20 0 BEADMN CC[C@@H](C)[C@@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599058 975568506 /nfs/dbraw/zinc/56/85/06/975568506.db2.gz PEQYHZMWQZMIGQ-HTRCEHHLSA-N 0 1 227.333 2.282 20 0 BEADMN Cc1nnc(=S)[nH]c1OC1CCCCC1 ZINC001227598817 975569080 /nfs/dbraw/zinc/56/90/80/975569080.db2.gz MPUVJNGKZCORBD-UHFFFAOYSA-N 0 1 225.317 2.180 20 0 BEADMN CC(C)[C@@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806375 975701926 /nfs/dbraw/zinc/70/19/26/975701926.db2.gz IALMEPHWWYXCMU-SSDOTTSWSA-N 0 1 221.260 2.087 20 0 BEADMN CC[C@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227807591 975705785 /nfs/dbraw/zinc/70/57/85/975705785.db2.gz ABQUOVKZCNQKFA-JGVFFNPUSA-N 0 1 235.287 2.477 20 0 BEADMN CCC(C)(C)OC1CN(CC2(OC)CCC2)C1 ZINC001333370006 975720155 /nfs/dbraw/zinc/72/01/55/975720155.db2.gz ZPORQBOIUNYXKI-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN Nc1cncn1-c1ccccc1C(F)(F)F ZINC001173842684 975722851 /nfs/dbraw/zinc/72/28/51/975722851.db2.gz VKCMUPVFARNZKE-UHFFFAOYSA-N 0 1 227.189 2.473 20 0 BEADMN OCc1cc(Nc2ccccc2F)ccn1 ZINC001173845462 975732314 /nfs/dbraw/zinc/73/23/14/975732314.db2.gz CSRCHCRTPMZLBH-UHFFFAOYSA-N 0 1 218.231 2.457 20 0 BEADMN O=C(N[C@H]1C=CCCC1)c1cccc(F)c1O ZINC001333439744 975773554 /nfs/dbraw/zinc/77/35/54/975773554.db2.gz OAARYNYOUWCPKU-VIFPVBQESA-N 0 1 235.258 2.370 20 0 BEADMN CCN1CC[C@@H](Oc2cc(O)cc(C(C)=O)c2)C1 ZINC001228048766 975879037 /nfs/dbraw/zinc/87/90/37/975879037.db2.gz SNEZJCKOMBVZNT-CYBMUJFWSA-N 0 1 249.310 2.068 20 0 BEADMN COc1ccc(OC)c(Nc2nccn2C)c1 ZINC001173916037 975897283 /nfs/dbraw/zinc/89/72/83/975897283.db2.gz KJDDUPONBCUOJI-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN COc1ccc(OC)c(Nc2c(C)ncn2C)c1 ZINC001173918867 975899202 /nfs/dbraw/zinc/89/92/02/975899202.db2.gz GSDMSEMCIRUWDN-UHFFFAOYSA-N 0 1 247.298 2.489 20 0 BEADMN O=C1CCCc2nc(Nc3ccncc3)sc21 ZINC001173879072 975908444 /nfs/dbraw/zinc/90/84/44/975908444.db2.gz DGHTXGQWHYHUDU-UHFFFAOYSA-N 0 1 245.307 2.223 20 0 BEADMN c1cnc(N2CCCC2)c(Nc2ccncc2)c1 ZINC001173879515 975913600 /nfs/dbraw/zinc/91/36/00/975913600.db2.gz SPMQMSNNPHIEPO-UHFFFAOYSA-N 0 1 240.310 2.242 20 0 BEADMN CC(C)c1cc(Nc2ccncc2)on1 ZINC001173879602 975914124 /nfs/dbraw/zinc/91/41/24/975914124.db2.gz YEGGZUNINWNXNR-UHFFFAOYSA-N 0 1 203.245 2.359 20 0 BEADMN COC(=O)c1ccsc1Nc1ccncc1 ZINC001173879470 975915549 /nfs/dbraw/zinc/91/55/49/975915549.db2.gz POMQZZWKYATLRZ-UHFFFAOYSA-N 0 1 234.280 2.095 20 0 BEADMN Cc1nc(Cl)c(Nc2ccncc2)nc1C ZINC001173881433 975919102 /nfs/dbraw/zinc/91/91/02/975919102.db2.gz SIBLJLFMEHOPPT-UHFFFAOYSA-N 0 1 234.690 2.307 20 0 BEADMN Cn1nc(C(C)(C)C)cc1Nc1ccncc1 ZINC001173881716 975920242 /nfs/dbraw/zinc/92/02/42/975920242.db2.gz HFUAASBQDFUEQX-UHFFFAOYSA-N 0 1 230.315 2.278 20 0 BEADMN c1cnn(-c2ccc(Nc3ccncc3)cc2)c1 ZINC001173882351 975928303 /nfs/dbraw/zinc/92/83/03/975928303.db2.gz GGDYMIKLSQOPTE-UHFFFAOYSA-N 0 1 236.278 2.433 20 0 BEADMN Cc1cnc(Cl)c(Nc2ccncc2)c1N ZINC001173882554 975930315 /nfs/dbraw/zinc/93/03/15/975930315.db2.gz PTMYGMPFLYCXHO-UHFFFAOYSA-N 0 1 234.690 2.186 20 0 BEADMN COc1cccc(Nc2ccncc2)c1OC ZINC001173882782 975941438 /nfs/dbraw/zinc/94/14/38/975941438.db2.gz TYDIZNPZCUOUBV-UHFFFAOYSA-N 0 1 230.267 2.264 20 0 BEADMN Cc1cc(O)ccc1Nc1ccncc1 ZINC001173883162 975946363 /nfs/dbraw/zinc/94/63/63/975946363.db2.gz AQITVQUMWOWAMG-UHFFFAOYSA-N 0 1 200.241 2.261 20 0 BEADMN Oc1ccc(Nc2ccncc2)cc1F ZINC001173882783 975950223 /nfs/dbraw/zinc/95/02/23/975950223.db2.gz UAHDIYWJRJFPRB-UHFFFAOYSA-N 0 1 204.204 2.092 20 0 BEADMN c1cc(Nc2ccc3nnsc3c2)ccn1 ZINC001173883984 975953241 /nfs/dbraw/zinc/95/32/41/975953241.db2.gz AKBPXBOJUNPCDU-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN Cc1c2ccc(N)cc2nn1-c1ccncc1 ZINC001173883705 975955869 /nfs/dbraw/zinc/95/58/69/975955869.db2.gz WUWQMCMGLNZQBO-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN COCc1cccc(Nc2ccncc2)c1 ZINC001173883320 975962992 /nfs/dbraw/zinc/96/29/92/975962992.db2.gz MSXBEYRYYGAYMB-UHFFFAOYSA-N 0 1 214.268 2.394 20 0 BEADMN c1cc(Nc2ccncc2)cc(C2=NCCO2)c1 ZINC001173884036 975966819 /nfs/dbraw/zinc/96/68/19/975966819.db2.gz DBZYWSGEEYXIEV-UHFFFAOYSA-N 0 1 239.278 2.024 20 0 BEADMN COc1ccc(Nc2cncn2C)c(OC)c1 ZINC001173889884 975978644 /nfs/dbraw/zinc/97/86/44/975978644.db2.gz ALOIAQSYBVFDJB-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN OCc1ccc(Nc2ccncc2)c(Cl)c1 ZINC001173885397 975982482 /nfs/dbraw/zinc/98/24/82/975982482.db2.gz XZOIXMJPORCSEM-UHFFFAOYSA-N 0 1 234.686 2.393 20 0 BEADMN Nc1cccc2c1N(c1ccncc1)CC2 ZINC001173885026 975983433 /nfs/dbraw/zinc/98/34/33/975983433.db2.gz DPPOCQQEPQIFQN-UHFFFAOYSA-N 0 1 211.268 2.358 20 0 BEADMN COc1ccc(Nc2cncn2C)cc1OC ZINC001173885457 975986178 /nfs/dbraw/zinc/98/61/78/975986178.db2.gz CAESFCJCVWCNJH-UHFFFAOYSA-N 0 1 233.271 2.181 20 0 BEADMN CC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1C ZINC001228216758 976002561 /nfs/dbraw/zinc/00/25/61/976002561.db2.gz OMPCTMNFIMIKGY-CYBMUJFWSA-N 0 1 233.311 2.281 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2nccs2)c1C ZINC001333704320 976012469 /nfs/dbraw/zinc/01/24/69/976012469.db2.gz WJYHEZYOXNINJR-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cc1ncn(-c2ccc(F)cc2C)c1N ZINC001173966331 976017012 /nfs/dbraw/zinc/01/70/12/976017012.db2.gz DATSOCFBIZYRKB-UHFFFAOYSA-N 0 1 205.236 2.210 20 0 BEADMN CCc1ccccc1Nc1cc(=O)[nH]c(OC)n1 ZINC001173967323 976024246 /nfs/dbraw/zinc/02/42/46/976024246.db2.gz CHJYJTLSGXSVTM-UHFFFAOYSA-N 0 1 245.282 2.497 20 0 BEADMN CC[C@@H](C)[N@H+](CCO)Cc1ccc([O-])c(F)c1 ZINC001333777817 976072044 /nfs/dbraw/zinc/07/20/44/976072044.db2.gz XHEZCAUAMLKPPG-SNVBAGLBSA-N 0 1 241.306 2.124 20 0 BEADMN Cc1nonc1Nc1cc(F)ccc1F ZINC001173948684 976098032 /nfs/dbraw/zinc/09/80/32/976098032.db2.gz MZOGYEXYUQPNDG-UHFFFAOYSA-N 0 1 211.171 2.400 20 0 BEADMN COc1ccc(F)cc1Nc1ccnc(CO)c1 ZINC001173954909 976122365 /nfs/dbraw/zinc/12/23/65/976122365.db2.gz KSGLGDSTOLXCEV-UHFFFAOYSA-N 0 1 248.257 2.465 20 0 BEADMN CC[C@@H](Oc1ccc2nc(C)[nH]c2c1)C(=O)OC ZINC001228328443 976122723 /nfs/dbraw/zinc/12/27/23/976122723.db2.gz FDVRYHCONSKZJP-GFCCVEGCSA-N 0 1 248.282 2.202 20 0 BEADMN CC(=O)c1ccc(C)c(O[C@@H]2CCN(C)C2)c1 ZINC001228348662 976140025 /nfs/dbraw/zinc/14/00/25/976140025.db2.gz GBEHDIOMQMXQEP-CYBMUJFWSA-N 0 1 233.311 2.281 20 0 BEADMN CCCC(CCC)Oc1nc(O)cc(=O)[nH]1 ZINC001228387599 976176908 /nfs/dbraw/zinc/17/69/08/976176908.db2.gz CSHDBOONVQDTNT-UHFFFAOYSA-N 0 1 226.276 2.235 20 0 BEADMN C[C@H]1C[C@H](Oc2nc(O)cc(=O)[nH]2)C[C@@H](C)C1 ZINC001228388332 976177143 /nfs/dbraw/zinc/17/71/43/976177143.db2.gz HNRPMGQBLZRIJD-BRPSZJMVSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228388142 976178115 /nfs/dbraw/zinc/17/81/15/976178115.db2.gz GOGLNEWYBIFOEN-HRDYMLBCSA-N 0 1 238.287 2.091 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228388144 976180867 /nfs/dbraw/zinc/18/08/67/976180867.db2.gz GOGLNEWYBIFOEN-VGMNWLOBSA-N 0 1 238.287 2.091 20 0 BEADMN CCC[C@@H](Oc1nc(O)cc(=O)[nH]1)C(C)C ZINC001228389304 976185594 /nfs/dbraw/zinc/18/55/94/976185594.db2.gz UTLILQWWSYTFQX-MRVPVSSYSA-N 0 1 226.276 2.091 20 0 BEADMN CC(=O)Nc1ccc(Nc2cncn2C)cc1 ZINC001173975116 976196307 /nfs/dbraw/zinc/19/63/07/976196307.db2.gz MDEAHIAGHMBFMA-UHFFFAOYSA-N 0 1 230.271 2.122 20 0 BEADMN COc1nc(Nc2ccc(C)c(F)c2)cc(=O)[nH]1 ZINC001174019985 976214534 /nfs/dbraw/zinc/21/45/34/976214534.db2.gz SEDKEWXCGXSGGW-UHFFFAOYSA-N 0 1 249.245 2.382 20 0 BEADMN C[C@@H]1CC[C@@H](Oc2nc(=O)[nH]cc2Cl)C1 ZINC001228480463 976246768 /nfs/dbraw/zinc/24/67/68/976246768.db2.gz KTAITOHGBNGQCF-RNFRBKRXSA-N 0 1 228.679 2.403 20 0 BEADMN O=c1nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c[nH]1 ZINC001228481283 976249460 /nfs/dbraw/zinc/24/94/60/976249460.db2.gz ZRTDCOZLJRHPBD-LKEWCRSYSA-N 0 1 240.690 2.403 20 0 BEADMN Clc1nc2nc[nH]c2c(O[C@H]2C=CCC2)n1 ZINC001228506962 976268493 /nfs/dbraw/zinc/26/84/93/976268493.db2.gz AZFANWOFVHIGIY-LURJTMIESA-N 0 1 236.662 2.104 20 0 BEADMN C[C@H](Cc1ccsc1)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000689945643 976268939 /nfs/dbraw/zinc/26/89/39/976268939.db2.gz IZFVIBWBHXZMBY-VHSXEESVSA-N 0 1 241.356 2.332 20 0 BEADMN COCc1ccccc1Nc1ccnc(CO)c1 ZINC001174103305 976302354 /nfs/dbraw/zinc/30/23/54/976302354.db2.gz JUDDIFCMQIVWTM-UHFFFAOYSA-N 0 1 244.294 2.464 20 0 BEADMN CN1CC[C@@H](Oc2cc(Cl)ncc2Cl)C1 ZINC001228545939 976306294 /nfs/dbraw/zinc/30/62/94/976306294.db2.gz NQDJGNJMZDASPA-SSDOTTSWSA-N 0 1 247.125 2.471 20 0 BEADMN COc1cncc(Nc2ccc3nccn3c2)c1 ZINC001174087918 976352061 /nfs/dbraw/zinc/35/20/61/976352061.db2.gz GRSDQQKJEOQYHX-UHFFFAOYSA-N 0 1 240.266 2.482 20 0 BEADMN c1nnc(Nc2cccc3cnccc32)o1 ZINC001174133932 976366959 /nfs/dbraw/zinc/36/69/59/976366959.db2.gz CIYXJVWKCAKJGG-UHFFFAOYSA-N 0 1 212.212 2.361 20 0 BEADMN CCCn1cc(Nc2nonc2C2CC2)cn1 ZINC001174222096 976416859 /nfs/dbraw/zinc/41/68/59/976416859.db2.gz SWYOHGYCOAIFHG-UHFFFAOYSA-N 0 1 233.275 2.297 20 0 BEADMN CC1(C)CC[C@@H](COc2ccc3[nH]nnc3c2)O1 ZINC001228663517 976420052 /nfs/dbraw/zinc/42/00/52/976420052.db2.gz GBCUDKAKUCUKHF-JTQLQIEISA-N 0 1 247.298 2.294 20 0 BEADMN C1=C[C@@H](Oc2ccc3[nH]nnc3c2)CCC1 ZINC001228666861 976426305 /nfs/dbraw/zinc/42/63/05/976426305.db2.gz JVOPADXBHIEQTC-SECBINFHSA-N 0 1 215.256 2.445 20 0 BEADMN Cc1nnc(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[nH]1 ZINC001334297571 976432247 /nfs/dbraw/zinc/43/22/47/976432247.db2.gz OZIPSUKIBWERHZ-RNLVFQAGSA-N 0 1 245.298 2.497 20 0 BEADMN Cc1c[nH]c(=O)cc1Nc1ccc2nccn2c1 ZINC001174278060 976508772 /nfs/dbraw/zinc/50/87/72/976508772.db2.gz JQXWGCVUZLRGNX-UHFFFAOYSA-N 0 1 240.266 2.487 20 0 BEADMN Cc1ncnc(C)c1Nc1ccc2nccn2c1 ZINC001174277710 976509925 /nfs/dbraw/zinc/50/99/25/976509925.db2.gz CDZUYTXTKCXQAN-UHFFFAOYSA-N 0 1 239.282 2.485 20 0 BEADMN FCCn1cnc(Nc2cccc3[nH]ncc32)c1 ZINC001174342535 976562813 /nfs/dbraw/zinc/56/28/13/976562813.db2.gz CVXOZQZXFYJTBR-UHFFFAOYSA-N 0 1 245.261 2.473 20 0 BEADMN Cc1cncc(Nc2cccc3[nH]ncc32)n1 ZINC001174342950 976563275 /nfs/dbraw/zinc/56/32/75/976563275.db2.gz XAJXXLLYQREUTJ-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN COc1nn(C)cc1Nc1cccc2[nH]ncc21 ZINC001174343106 976564593 /nfs/dbraw/zinc/56/45/93/976564593.db2.gz QGVQPVBMBPQTKW-UHFFFAOYSA-N 0 1 243.270 2.049 20 0 BEADMN COc1nccnc1Nc1cccc2[nH]ncc21 ZINC001174342087 976567082 /nfs/dbraw/zinc/56/70/82/976567082.db2.gz DXONLGVTWSDHNN-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN COc1cc(=O)[nH]c(OC2CCCCCC2)n1 ZINC001228919508 976578961 /nfs/dbraw/zinc/57/89/61/976578961.db2.gz YWYSVVLFHYOOCF-UHFFFAOYSA-N 0 1 238.287 2.292 20 0 BEADMN Cn1cncc1Nc1ccc2ncn(C)c2c1 ZINC001174346734 976580264 /nfs/dbraw/zinc/58/02/64/976580264.db2.gz METRTYHNHZNBBL-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN C1=C[C@H](Oc2nnc3c[nH]ccc2-3)CCC1 ZINC001228989199 976612528 /nfs/dbraw/zinc/61/25/28/976612528.db2.gz FUMWECSMJYLJPQ-VIFPVBQESA-N 0 1 215.256 2.445 20 0 BEADMN OCc1cccnc1Nc1ccc2cn[nH]c2c1 ZINC001174498180 976717125 /nfs/dbraw/zinc/71/71/25/976717125.db2.gz HCPCOQLOCYQQEX-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN COc1cc(Nc2ccc3cn[nH]c3c2)no1 ZINC001174497745 976718565 /nfs/dbraw/zinc/71/85/65/976718565.db2.gz HVXKNMZQQQAPQI-UHFFFAOYSA-N 0 1 230.227 2.303 20 0 BEADMN Cc1cc(Nc2ccc3c[nH]nc3c2)n(C)n1 ZINC001174499462 976728142 /nfs/dbraw/zinc/72/81/42/976728142.db2.gz QYTNTJKFVXPJSW-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Nc1nc2ccccc2n1-c1ccc2c[nH]nc2c1 ZINC001174499230 976729119 /nfs/dbraw/zinc/72/91/19/976729119.db2.gz ODJZZRRRXNVDSR-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CC(C)CC[C@H](C)Oc1[nH]c(=O)[nH]c(=O)c1F ZINC001229125720 976762408 /nfs/dbraw/zinc/76/24/08/976762408.db2.gz UFEWVXSGTJRROW-ZETCQYMHSA-N 0 1 244.266 2.230 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001334886513 976773711 /nfs/dbraw/zinc/77/37/11/976773711.db2.gz BEQCRFKXKOAVEG-RYUDHWBXSA-N 0 1 246.358 2.384 20 0 BEADMN COc1nccc(CN[C@@H]2C=CCCC2)c1F ZINC001334982325 976813464 /nfs/dbraw/zinc/81/34/64/976813464.db2.gz MCWBYLFZWBCBSN-LLVKDONJSA-N 0 1 236.290 2.428 20 0 BEADMN CCc1nnc(NC(=O)[C@@H]2CCC=CCCC2)[nH]1 ZINC001335016453 976826151 /nfs/dbraw/zinc/82/61/51/976826151.db2.gz LBNJDIMFRHYEDV-SNVBAGLBSA-N 0 1 248.330 2.442 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@H]2CCC=CCCC2)n1 ZINC001335016453 976826156 /nfs/dbraw/zinc/82/61/56/976826156.db2.gz LBNJDIMFRHYEDV-SNVBAGLBSA-N 0 1 248.330 2.442 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000697595238 976851888 /nfs/dbraw/zinc/85/18/88/976851888.db2.gz ZKQVQFFLIAOJAI-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NCCCC(F)F ZINC001335146798 976867193 /nfs/dbraw/zinc/86/71/93/976867193.db2.gz WPJZIUVPMBTKKT-VIFPVBQESA-N 0 1 248.317 2.021 20 0 BEADMN Cc1nc2[nH]cnc2c(OC2CCCCC2)n1 ZINC001229441379 976870569 /nfs/dbraw/zinc/87/05/69/976870569.db2.gz SMTDWRDOGQFPAR-UHFFFAOYSA-N 0 1 232.287 2.373 20 0 BEADMN CCC(CC)Oc1nc(C)nc2[nH]cnc21 ZINC001229441376 976872419 /nfs/dbraw/zinc/87/24/19/976872419.db2.gz SKWQFICFEREUFI-UHFFFAOYSA-N 0 1 220.276 2.229 20 0 BEADMN CCC(=O)c1ccc(O)cc1O[C@H]1CCN(C)C1 ZINC001229474405 976876947 /nfs/dbraw/zinc/87/69/47/976876947.db2.gz DVTYIBFEMBPNSL-NSHDSACASA-N 0 1 249.310 2.068 20 0 BEADMN COc1ccc2nc(O[C@@H]3CCCOC3)[nH]c2c1 ZINC001229730498 976969127 /nfs/dbraw/zinc/96/91/27/976969127.db2.gz QUFGFANYEAJILR-SNVBAGLBSA-N 0 1 248.282 2.129 20 0 BEADMN Cn1cncc1Nc1ccc(O)c(F)c1 ZINC001174731901 976973126 /nfs/dbraw/zinc/97/31/26/976973126.db2.gz GIEIONRSNARLNW-UHFFFAOYSA-N 0 1 207.208 2.008 20 0 BEADMN COCn1ncc(C)c1C[N@H+]1CCC[C@@H](C)C1 ZINC001335404805 977034937 /nfs/dbraw/zinc/03/49/37/977034937.db2.gz HTVWSQQXYNWHOS-LLVKDONJSA-N 0 1 237.347 2.027 20 0 BEADMN CCCOC[C@H](C)Oc1nc[nH]c(=O)c1Cl ZINC001230014832 977062029 /nfs/dbraw/zinc/06/20/29/977062029.db2.gz QNHZHHUOOWTIRT-ZETCQYMHSA-N 0 1 246.694 2.030 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](C)C3(CCC3)C2)n1 ZINC001335466717 977082108 /nfs/dbraw/zinc/08/21/08/977082108.db2.gz PHSKMWSXLFCVFU-SNVBAGLBSA-N 0 1 246.358 2.384 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCn2nccc2C1 ZINC001174863691 977129855 /nfs/dbraw/zinc/12/98/55/977129855.db2.gz SGIOFIYTSPUKAL-JTQLQIEISA-N 0 1 243.301 2.380 20 0 BEADMN CC(=O)c1cccc(C)c1O[C@H]1CCN(C)C1 ZINC001230318173 977179785 /nfs/dbraw/zinc/17/97/85/977179785.db2.gz CTXCNIJPXAPUJA-LBPRGKRZSA-N 0 1 233.311 2.281 20 0 BEADMN COc1cc(F)cc(Nc2cncn2C)c1 ZINC001175008187 977207078 /nfs/dbraw/zinc/20/70/78/977207078.db2.gz XXNRUFHZCKHVJF-UHFFFAOYSA-N 0 1 221.235 2.311 20 0 BEADMN CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1 ZINC001230549102 977242841 /nfs/dbraw/zinc/24/28/41/977242841.db2.gz ZHNBFEHZQAVYQJ-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1ccc(F)c(CN[C@H](CO)C(C)C)c1F ZINC001335746118 977258216 /nfs/dbraw/zinc/25/82/16/977258216.db2.gz DJCHTIGBQXKLIS-GFCCVEGCSA-N 0 1 243.297 2.380 20 0 BEADMN Cc1ncn(C)c1Nc1c(F)cc(O)cc1F ZINC001175097999 977270018 /nfs/dbraw/zinc/27/00/18/977270018.db2.gz FRJKTTPUAYZWMT-UHFFFAOYSA-N 0 1 239.225 2.456 20 0 BEADMN Cc1ccc(O[C@@H]2CN3CCC2CC3)c(F)n1 ZINC001230714324 977309935 /nfs/dbraw/zinc/30/99/35/977309935.db2.gz VOMSUYOOUVCHAV-GFCCVEGCSA-N 0 1 236.290 2.002 20 0 BEADMN Cc1ccc(O[C@H]2CN3CCC2CC3)c(F)n1 ZINC001230714329 977310245 /nfs/dbraw/zinc/31/02/45/977310245.db2.gz VOMSUYOOUVCHAV-LBPRGKRZSA-N 0 1 236.290 2.002 20 0 BEADMN CCOc1ccc(-n2cnc(C)c2N)c(F)c1 ZINC001175247814 977342087 /nfs/dbraw/zinc/34/20/87/977342087.db2.gz OBDHFUAADBOEPF-UHFFFAOYSA-N 0 1 235.262 2.301 20 0 BEADMN COc1nnc(CN[C@H]2CCCC2(C)C)s1 ZINC001335885345 977347491 /nfs/dbraw/zinc/34/74/91/977347491.db2.gz QCNUYUZGYZRMHZ-QMMMGPOBSA-N 0 1 241.360 2.215 20 0 BEADMN CO[C@H](C)COc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230888967 977357720 /nfs/dbraw/zinc/35/77/20/977357720.db2.gz QVBIVZVPCNTRHJ-SECBINFHSA-N 0 1 248.282 2.058 20 0 BEADMN Cc1cc(CN2CCC(F)(C3CC3)CC2)[nH]n1 ZINC001355357684 1170018993 /nfs/dbraw/zinc/01/89/93/1170018993.db2.gz FKNCAGSMVGIDFN-UHFFFAOYSA-N 0 1 237.322 2.432 20 0 BEADMN Cc1cc(CN2CCC(F)(C3CC3)CC2)n[nH]1 ZINC001355357684 1170018998 /nfs/dbraw/zinc/01/89/98/1170018998.db2.gz FKNCAGSMVGIDFN-UHFFFAOYSA-N 0 1 237.322 2.432 20 0 BEADMN C[C@H]1COC[C@@H]1Oc1cc2[nH]ncc2c(F)c1 ZINC001230929944 977389294 /nfs/dbraw/zinc/38/92/94/977389294.db2.gz FYBDYJFKXRBLGC-MADCSZMMSA-N 0 1 236.246 2.116 20 0 BEADMN Fc1cc(OC[C@H]2CCCO2)cc2[nH]ncc21 ZINC001230930851 977389464 /nfs/dbraw/zinc/38/94/64/977389464.db2.gz JHIYXGVURUCDEJ-MRVPVSSYSA-N 0 1 236.246 2.260 20 0 BEADMN Fc1cc(O[C@H]2CCCOC2)cc2[nH]ncc21 ZINC001230930860 977390007 /nfs/dbraw/zinc/39/00/07/977390007.db2.gz JJGBHPMYTJUGSH-QMMMGPOBSA-N 0 1 236.246 2.260 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc(CO)c1 ZINC001175507215 977476850 /nfs/dbraw/zinc/47/68/50/977476850.db2.gz NJCFESMNZMZDSU-UHFFFAOYSA-N 0 1 239.278 2.100 20 0 BEADMN Cc1cc(Nc2ccncc2)cc2c[nH]nc21 ZINC001175516078 977495084 /nfs/dbraw/zinc/49/50/84/977495084.db2.gz LFAPFGIAYYUWRP-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN CCCOc1cccc(-n2cncc2N)c1 ZINC001175598391 977525516 /nfs/dbraw/zinc/52/55/16/977525516.db2.gz REMOGJOWDZVHSO-UHFFFAOYSA-N 0 1 217.272 2.243 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711491144 977551468 /nfs/dbraw/zinc/55/14/68/977551468.db2.gz PHLNLBOZANCIDW-QMMMGPOBSA-N 0 1 243.303 2.238 20 0 BEADMN CC(C)CC(=O)NCCCN(C)C/C=C\Cl ZINC001231325545 977569671 /nfs/dbraw/zinc/56/96/71/977569671.db2.gz IIVHDTGFJRDTNB-XQRVVYSFSA-N 0 1 246.782 2.223 20 0 BEADMN COc1ccc(NC2=CCCN(C)C2)c(F)c1 ZINC001175576212 977578033 /nfs/dbraw/zinc/57/80/33/977578033.db2.gz FYBSRUDVPKTGFY-UHFFFAOYSA-N 0 1 236.290 2.466 20 0 BEADMN CN1CCC=C(Nc2cc(F)c(F)cc2N)C1 ZINC001175576267 977581415 /nfs/dbraw/zinc/58/14/15/977581415.db2.gz IZGQMIBCURSNQR-UHFFFAOYSA-N 0 1 239.269 2.178 20 0 BEADMN CCN(C)c1ccc(NC2=CCCN(C)C2)cn1 ZINC001175577842 977585156 /nfs/dbraw/zinc/58/51/56/977585156.db2.gz XFDXKNZSCYLVQC-UHFFFAOYSA-N 0 1 246.358 2.169 20 0 BEADMN Cc1cc(NC2=CCCN(C)C2)n(CC2CC2)n1 ZINC001175577312 977589944 /nfs/dbraw/zinc/58/99/44/977589944.db2.gz QJIKQPFISMUQOA-UHFFFAOYSA-N 0 1 246.358 2.233 20 0 BEADMN COc1cccc(OC)c1NC1=CCCN(C)C1 ZINC001175576732 977591410 /nfs/dbraw/zinc/59/14/10/977591410.db2.gz RXEBPDGWPMLTNZ-UHFFFAOYSA-N 0 1 248.326 2.335 20 0 BEADMN CN1CCC=C(Nc2ccc3o[nH]c(=O)c3c2)C1 ZINC001175577525 977591656 /nfs/dbraw/zinc/59/16/56/977591656.db2.gz BMVKOZHJVTXYEK-UHFFFAOYSA-N 0 1 245.282 2.165 20 0 BEADMN CN1CCC=C(Nc2ccnn2CC2CCC2)C1 ZINC001175577391 977591924 /nfs/dbraw/zinc/59/19/24/977591924.db2.gz RRKIPJNPHGVROR-UHFFFAOYSA-N 0 1 246.358 2.315 20 0 BEADMN F[C@H]1CN(Cc2c[nH]c3cccnc23)C[C@@H]2C[C@@H]21 ZINC001231488141 977605473 /nfs/dbraw/zinc/60/54/73/977605473.db2.gz TWVVDYJGTDSZIR-DLOVCJGASA-N 0 1 245.301 2.353 20 0 BEADMN Cc1cc(C)c2c(c1)CC[N@H+](CCC(=O)[O-])C2 ZINC001594294517 977608107 /nfs/dbraw/zinc/60/81/07/977608107.db2.gz SCQUXOKSPNLWSD-UHFFFAOYSA-N 0 1 233.311 2.136 20 0 BEADMN CC(C)Oc1ccc(CN2CC[C@@H]2C)cn1 ZINC001231532583 977628084 /nfs/dbraw/zinc/62/80/84/977628084.db2.gz WWNHMOTWOVVJGW-NSHDSACASA-N 0 1 220.316 2.463 20 0 BEADMN Cc1ccc2c(c1)CC[N@@H+]([C@H](C(=O)[O-])C1CC1)C2 ZINC001594390695 977644092 /nfs/dbraw/zinc/64/40/92/977644092.db2.gz VDIZIFIARRSLFN-AWEZNQCLSA-N 0 1 245.322 2.216 20 0 BEADMN C[C@H]1CCCC[C@H]1CNc1nccnc1CN ZINC001336476204 977708159 /nfs/dbraw/zinc/70/81/59/977708159.db2.gz FHNBCKPTJQBWJR-QWRGUYRKSA-N 0 1 234.347 2.174 20 0 BEADMN COc1ccc(CN2CC[C@H]2C)cc1OC(C)=O ZINC001231706305 977710966 /nfs/dbraw/zinc/71/09/66/977710966.db2.gz SQYGUOXHWIOXIP-SNVBAGLBSA-N 0 1 249.310 2.215 20 0 BEADMN COc1ncc(F)cc1CN(C)C(C)C ZINC001231740778 977723554 /nfs/dbraw/zinc/72/35/54/977723554.db2.gz MYDPKXSDABXJBG-UHFFFAOYSA-N 0 1 212.268 2.070 20 0 BEADMN C[C@H](Cc1ccsc1)Nc1nccnc1CN ZINC001336495156 977719442 /nfs/dbraw/zinc/71/94/42/977719442.db2.gz NURKTNRZDUIXRR-SECBINFHSA-N 0 1 248.355 2.040 20 0 BEADMN CCOc1ncccc1CN1CCC2(CC2)C1 ZINC001231762263 977732420 /nfs/dbraw/zinc/73/24/20/977732420.db2.gz IDLNELODLSHZJC-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CCOc1ncccc1CN1CCCC1 ZINC001231760474 977736475 /nfs/dbraw/zinc/73/64/75/977736475.db2.gz KPUJYEQOCCWCED-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN C[C@@H]1CC[C@H](Nc2nccnc2CN)[C@H](C)C1 ZINC001336514259 977736835 /nfs/dbraw/zinc/73/68/35/977736835.db2.gz SSWRZHZAEHWCML-MXWKQRLJSA-N 0 1 234.347 2.172 20 0 BEADMN C[C@H](CNc1nccnc1CN)C(C)(C)C ZINC001336513227 977737243 /nfs/dbraw/zinc/73/72/43/977737243.db2.gz FZUQXJJXSDMTOQ-SECBINFHSA-N 0 1 222.336 2.029 20 0 BEADMN Cn1ccnc1Nc1cnn(-c2ccccc2)c1 ZINC001175790613 977752755 /nfs/dbraw/zinc/75/27/55/977752755.db2.gz CRJMQLATDYLEPN-UHFFFAOYSA-N 0 1 239.282 2.349 20 0 BEADMN Cc1cccc2c1nc(N)n2-c1ccc(F)cn1 ZINC001175846618 977760504 /nfs/dbraw/zinc/76/05/04/977760504.db2.gz IXAJRUNYSZYFOA-UHFFFAOYSA-N 0 1 242.257 2.450 20 0 BEADMN COCCCCN1CCCC[C@@H]1c1ncccn1 ZINC001175846174 977761677 /nfs/dbraw/zinc/76/16/77/977761677.db2.gz WGKFAFRSWXWDSO-CYBMUJFWSA-N 0 1 249.358 2.430 20 0 BEADMN Nc1nccc(NCCCc2cccs2)n1 ZINC001336577261 977794066 /nfs/dbraw/zinc/79/40/66/977794066.db2.gz FBMKJUJKRQHBSS-UHFFFAOYSA-N 0 1 234.328 2.165 20 0 BEADMN Cc1cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cnc1F ZINC001231926229 977796582 /nfs/dbraw/zinc/79/65/82/977796582.db2.gz NMRKCQXXWZZDII-CNDDSTCGSA-N 0 1 238.281 2.176 20 0 BEADMN C[C@@H]1CCC[C@H](Nc2nccnc2CN)CC1 ZINC001336589286 977801195 /nfs/dbraw/zinc/80/11/95/977801195.db2.gz AHIJKDMQNAHXAL-MNOVXSKESA-N 0 1 234.347 2.316 20 0 BEADMN COc1cnc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)cn1 ZINC001231938198 977805982 /nfs/dbraw/zinc/80/59/82/977805982.db2.gz AODATGYJSIFKPM-NWDGAFQWSA-N 0 1 249.358 2.353 20 0 BEADMN C[C@@H]1CCC[C@@H](CNc2nccnc2CN)[C@@H]1C ZINC001336611183 977811430 /nfs/dbraw/zinc/81/14/30/977811430.db2.gz DCAWRZGYHLPRKG-UTUOFQBUSA-N 0 1 248.374 2.420 20 0 BEADMN COc1ccnc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001231968644 977814446 /nfs/dbraw/zinc/81/44/46/977814446.db2.gz QFAMRAQKEGHVKN-GAFUQQFSSA-N 0 1 236.290 2.023 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1cccc2c[nH]nc21 ZINC001231970416 977816797 /nfs/dbraw/zinc/81/67/97/977816797.db2.gz OYZGHXRZQPSBPP-SKDRFNHKSA-N 0 1 233.290 2.495 20 0 BEADMN CC[C@@H](C(=O)Nc1cnoc1C(C)C)N(C)C ZINC001336626471 977819685 /nfs/dbraw/zinc/81/96/85/977819685.db2.gz DOJLQMSLLRJOHK-JTQLQIEISA-N 0 1 239.319 2.077 20 0 BEADMN Cc1cc(F)ncc1CN(C)[C@H]1CCCOC1 ZINC001231986041 977821347 /nfs/dbraw/zinc/82/13/47/977821347.db2.gz CHIOKCWRGDPJOC-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(F)cc(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC001336637664 977824132 /nfs/dbraw/zinc/82/41/32/977824132.db2.gz SDHPKLRDNQDRRX-PHIMTYICSA-N 0 1 237.322 2.058 20 0 BEADMN CC(=O)C1CCN(Cc2cc(C)nc(C)c2)CC1 ZINC001232000223 977831163 /nfs/dbraw/zinc/83/11/63/977831163.db2.gz GCIJIZILZHTRRT-UHFFFAOYSA-N 0 1 246.354 2.499 20 0 BEADMN Cc1cc(CN2CC[C@]23CCOC3)cc(C)n1 ZINC001232004754 977835484 /nfs/dbraw/zinc/83/54/84/977835484.db2.gz QUKANERZYPFVMF-CQSZACIVSA-N 0 1 232.327 2.063 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC001594839627 977845958 /nfs/dbraw/zinc/84/59/58/977845958.db2.gz QKCJNGPUIIVOJO-QWHCGFSZSA-N 0 1 249.285 2.436 20 0 BEADMN CC(C)(C)C[C@@H]1C[C@H]1Nc1ccnc(N)n1 ZINC001336679699 977848916 /nfs/dbraw/zinc/84/89/16/977848916.db2.gz RULXHERPBXMQCA-DTWKUNHWSA-N 0 1 220.320 2.295 20 0 BEADMN Cc1cnc(Nc2ccc3n[nH]nc3c2)nc1C ZINC001175996744 977855022 /nfs/dbraw/zinc/85/50/22/977855022.db2.gz UHLUNKTZQGCRGK-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1cnc(Nc2ccc3nn[nH]c3c2)nc1C ZINC001175996744 977855026 /nfs/dbraw/zinc/85/50/26/977855026.db2.gz UHLUNKTZQGCRGK-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN c1nscc1Nc1ccc2nn[nH]c2c1 ZINC001175998702 977858033 /nfs/dbraw/zinc/85/80/33/977858033.db2.gz LWJQIFIGBDDCBR-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN c1nscc1Nc1ccc2n[nH]nc2c1 ZINC001175998702 977858035 /nfs/dbraw/zinc/85/80/35/977858035.db2.gz LWJQIFIGBDDCBR-UHFFFAOYSA-N 0 1 217.257 2.158 20 0 BEADMN Oc1ccc(Nc2ccc3nn[nH]c3c2)c(O)c1 ZINC001176005200 977860658 /nfs/dbraw/zinc/86/06/58/977860658.db2.gz FOUNKUYCGJWZDB-UHFFFAOYSA-N 0 1 242.238 2.113 20 0 BEADMN Oc1ccc(Nc2ccc3n[nH]nc3c2)c(O)c1 ZINC001176005200 977860663 /nfs/dbraw/zinc/86/06/63/977860663.db2.gz FOUNKUYCGJWZDB-UHFFFAOYSA-N 0 1 242.238 2.113 20 0 BEADMN O=C([O-])C1(CCn2cc[nH+]c2C2CC2)CCC1 ZINC001594879694 977865872 /nfs/dbraw/zinc/86/58/72/977865872.db2.gz PNRFNELGIUNCBU-UHFFFAOYSA-N 0 1 234.299 2.406 20 0 BEADMN Clc1cnc(NCCc2ccn[nH]2)s1 ZINC001336700878 977867270 /nfs/dbraw/zinc/86/72/70/977867270.db2.gz FZOKKTULOCKPJI-UHFFFAOYSA-N 0 1 228.708 2.174 20 0 BEADMN Clc1cc(Nc2ncc[nH]2)c(Cl)nn1 ZINC001176079320 977873614 /nfs/dbraw/zinc/87/36/14/977873614.db2.gz IGCPPGPNTTZELU-UHFFFAOYSA-N 0 1 230.058 2.250 20 0 BEADMN COC(=O)c1sc(C)cc1Nc1ncc[nH]1 ZINC001176079032 977873983 /nfs/dbraw/zinc/87/39/83/977873983.db2.gz DJNJMZGPQTWBSY-UHFFFAOYSA-N 0 1 237.284 2.310 20 0 BEADMN C[C@@H]1COCCN(Cc2cc3ncccc3[nH]2)C1 ZINC001232061883 977874444 /nfs/dbraw/zinc/87/44/44/977874444.db2.gz QHPQIHKMBNETLE-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN Clc1nncc(Nc2ncc[nH]2)c1Cl ZINC001176081812 977876274 /nfs/dbraw/zinc/87/62/74/977876274.db2.gz FXCVTXHKDIUULQ-UHFFFAOYSA-N 0 1 230.058 2.250 20 0 BEADMN FC(F)c1ccc(Nc2ncc[nH]2)nc1 ZINC001176082379 977880385 /nfs/dbraw/zinc/88/03/85/977880385.db2.gz IGGUKUGIUSHVDV-UHFFFAOYSA-N 0 1 210.187 2.486 20 0 BEADMN COCCN(C)Cc1cccc(C(F)(F)F)n1 ZINC001232067869 977881290 /nfs/dbraw/zinc/88/12/90/977881290.db2.gz YVDGVPMXCRHZPM-UHFFFAOYSA-N 0 1 248.248 2.179 20 0 BEADMN C[C@@H]1CCCN1Cc1cn(C)nc1C(F)(F)F ZINC001232082901 977886655 /nfs/dbraw/zinc/88/66/55/977886655.db2.gz MAUZLLWYIGIYMV-MRVPVSSYSA-N 0 1 247.264 2.423 20 0 BEADMN COC(=O)c1ccc(F)cc1Nc1ncc[nH]1 ZINC001176085288 977887350 /nfs/dbraw/zinc/88/73/50/977887350.db2.gz IZMXGJCADSHYFZ-UHFFFAOYSA-N 0 1 235.218 2.079 20 0 BEADMN Cn1cc2cccc(Nc3ncc[nH]3)c2n1 ZINC001176085133 977887551 /nfs/dbraw/zinc/88/75/51/977887551.db2.gz XBTSGSGCMRLJNC-UHFFFAOYSA-N 0 1 213.244 2.040 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)C1CCCC1 ZINC001336732488 977892182 /nfs/dbraw/zinc/89/21/82/977892182.db2.gz VPGQRRUARBTZLK-UHFFFAOYSA-N 0 1 244.298 2.395 20 0 BEADMN F[C@@H]1C[C@@H]2C[C@H]1CN2Cc1ccns1 ZINC001232193303 977916191 /nfs/dbraw/zinc/91/61/91/977916191.db2.gz YMWWAXLBVVFTEV-OYNCUSHFSA-N 0 1 212.293 2.075 20 0 BEADMN Cc1scnc1CN1C[C@H](CO)CC[C@@H]1C ZINC001232204531 977922732 /nfs/dbraw/zinc/92/27/32/977922732.db2.gz PNPIIYDDSNCVAL-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)(C)c1cc(CN2CCC(O)CC2)ccn1 ZINC001232211988 977935380 /nfs/dbraw/zinc/93/53/80/977935380.db2.gz GWDWCHJREKSIST-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN Cc1scnc1CN1CCC[C@@H]1C(C)(C)O ZINC001232208846 977935991 /nfs/dbraw/zinc/93/59/91/977935991.db2.gz CJRQNMVFHNSMMH-LLVKDONJSA-N 0 1 240.372 2.187 20 0 BEADMN Cc1scnc1CN1CCC[C@H]1C(C)(C)O ZINC001232208850 977940590 /nfs/dbraw/zinc/94/05/90/977940590.db2.gz CJRQNMVFHNSMMH-NSHDSACASA-N 0 1 240.372 2.187 20 0 BEADMN c1nscc1CN1CC[C@@]2(C1)CCCCO2 ZINC001232225952 977948715 /nfs/dbraw/zinc/94/87/15/977948715.db2.gz JBUDGLPTWVFSJC-GFCCVEGCSA-N 0 1 238.356 2.288 20 0 BEADMN COCc1cccc(CN2CCC[C@@H]3C[C@@H]32)n1 ZINC001232258354 977983017 /nfs/dbraw/zinc/98/30/17/977983017.db2.gz HDOSZSNISCVJDF-RISCZKNCSA-N 0 1 232.327 2.212 20 0 BEADMN COC(=O)CCN(C)Cc1cc(Cl)cs1 ZINC001232279918 977988651 /nfs/dbraw/zinc/98/86/51/977988651.db2.gz HZWJYITXAOBYAP-UHFFFAOYSA-N 0 1 247.747 2.396 20 0 BEADMN CCOc1ncc(CN2CC(C)C2)cc1C ZINC001232303045 978000403 /nfs/dbraw/zinc/00/04/03/978000403.db2.gz RLJRRIHSRYZQAD-UHFFFAOYSA-N 0 1 220.316 2.240 20 0 BEADMN Cc1ccc(CN2CCN(CCF)CC2)cc1 ZINC001204171847 978008935 /nfs/dbraw/zinc/00/89/35/978008935.db2.gz SZHJANWHSPDMSO-UHFFFAOYSA-N 0 1 236.334 2.082 20 0 BEADMN Cc1nc(N)ccc1CN(C)C1CC(F)(F)C1 ZINC001232336564 978014557 /nfs/dbraw/zinc/01/45/57/978014557.db2.gz CUUVSUSDQPVYKV-UHFFFAOYSA-N 0 1 241.285 2.202 20 0 BEADMN Cc1c(F)cc(CN2CCC[C@H]2CO)cc1F ZINC001232421170 978060384 /nfs/dbraw/zinc/06/03/84/978060384.db2.gz ZAZKCLQUWSVERQ-NSHDSACASA-N 0 1 241.281 2.230 20 0 BEADMN CCN(Cc1n[nH]c2c1CCC2)CC(F)(F)F ZINC001232429371 978072977 /nfs/dbraw/zinc/07/29/77/978072977.db2.gz NDUZABPUFCATNC-UHFFFAOYSA-N 0 1 247.264 2.283 20 0 BEADMN Nc1cncn1-c1cc(F)cc(N2CCCC2)c1 ZINC001176418100 978085080 /nfs/dbraw/zinc/08/50/80/978085080.db2.gz DXPAPZJCIDYYPZ-UHFFFAOYSA-N 0 1 246.289 2.194 20 0 BEADMN Cc1ncc(CN(C)Cc2ccc(C)nc2)[nH]1 ZINC001232465801 978107125 /nfs/dbraw/zinc/10/71/25/978107125.db2.gz PZIFWZJCDYNJKJ-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CCCC[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001595742540 978133657 /nfs/dbraw/zinc/13/36/57/978133657.db2.gz MBOPVHWWUWXKQS-NXEZZACHSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1cccc(F)c1CN(C)[C@@H]1CCOC1 ZINC001232484694 978133901 /nfs/dbraw/zinc/13/39/01/978133901.db2.gz KONBOLRAERHREY-LLVKDONJSA-N 0 1 223.291 2.355 20 0 BEADMN Nc1cncn1-c1ccc(OC(F)(F)F)cc1 ZINC001176640282 978146518 /nfs/dbraw/zinc/14/65/18/978146518.db2.gz LVXRTQADYQNEIR-UHFFFAOYSA-N 0 1 243.188 2.353 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cc(F)ccn3)C[C@@H]21 ZINC001232496474 978146522 /nfs/dbraw/zinc/14/65/22/978146522.db2.gz TYWXCJPWZNSFKS-TXEJJXNPSA-N 0 1 220.291 2.309 20 0 BEADMN Fc1ccnc(CN2CCC3(CC3)C2)c1 ZINC001232493253 978147338 /nfs/dbraw/zinc/14/73/38/978147338.db2.gz SOIMNFXOTDFZCI-UHFFFAOYSA-N 0 1 206.264 2.207 20 0 BEADMN COC1CCN(Cc2cccc(CF)n2)CC1 ZINC001232534867 978162887 /nfs/dbraw/zinc/16/28/87/978162887.db2.gz HTOBVXNIUYKNGK-UHFFFAOYSA-N 0 1 238.306 2.162 20 0 BEADMN FCc1cccc(CN2CC3CC(C3)C2)n1 ZINC001232538734 978167010 /nfs/dbraw/zinc/16/70/10/978167010.db2.gz UMTWSSCSUZCKKK-UHFFFAOYSA-N 0 1 220.291 2.393 20 0 BEADMN CC(C)Oc1ncccc1Nc1ccncc1 ZINC001176730868 978169027 /nfs/dbraw/zinc/16/90/27/978169027.db2.gz ZKDSJMJAQDEYCT-UHFFFAOYSA-N 0 1 229.283 2.429 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2c[nH]c3nccnc23)C1 ZINC001232547252 978172787 /nfs/dbraw/zinc/17/27/87/978172787.db2.gz OUVBNNDRQJEUAZ-ONGXEEELSA-N 0 1 248.305 2.089 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1cc2ccoc2cn1 ZINC001232550331 978175233 /nfs/dbraw/zinc/17/52/33/978175233.db2.gz UCNNTVHEMCXSHA-VIFPVBQESA-N 0 1 202.257 2.422 20 0 BEADMN C[C@H]1CCN1Cc1cc2ccoc2cn1 ZINC001232550331 978175237 /nfs/dbraw/zinc/17/52/37/978175237.db2.gz UCNNTVHEMCXSHA-VIFPVBQESA-N 0 1 202.257 2.422 20 0 BEADMN OC[C@H]1CCCCN1Cc1cc2ccoc2cn1 ZINC001232551364 978176316 /nfs/dbraw/zinc/17/63/16/978176316.db2.gz LMWLCEGEFAVWFU-CYBMUJFWSA-N 0 1 246.310 2.175 20 0 BEADMN CCC[C@@H]1CCCN1Cc1cnn(CC)n1 ZINC001176783236 978176677 /nfs/dbraw/zinc/17/66/77/978176677.db2.gz TUNBTYWURLCJFR-GFCCVEGCSA-N 0 1 222.336 2.063 20 0 BEADMN c1cc2cc(C[N@H+]3CC[C@H]4OCC[C@H]43)ncc2o1 ZINC001232550748 978177546 /nfs/dbraw/zinc/17/75/46/978177546.db2.gz BJJFBHHMUMTIDV-CHWSQXEVSA-N 0 1 244.294 2.191 20 0 BEADMN c1cc2cc(CN3CC[C@H]4OCC[C@H]43)ncc2o1 ZINC001232550748 978177558 /nfs/dbraw/zinc/17/75/58/978177558.db2.gz BJJFBHHMUMTIDV-CHWSQXEVSA-N 0 1 244.294 2.191 20 0 BEADMN CC(=O)[C@H]1CCN(Cc2cc3ccoc3cn2)C1 ZINC001232557428 978179871 /nfs/dbraw/zinc/17/98/71/978179871.db2.gz WFXWFJDQADJCMG-LBPRGKRZSA-N 0 1 244.294 2.239 20 0 BEADMN CN(Cc1cc2ccoc2cn1)[C@H]1CCCOC1 ZINC001232553944 978180965 /nfs/dbraw/zinc/18/09/65/978180965.db2.gz AEINZLSFZFOIMQ-ZDUSSCGKSA-N 0 1 246.310 2.439 20 0 BEADMN CC(=O)[C@@H]1CCN(Cc2cc3ccoc3cn2)C1 ZINC001232557425 978181059 /nfs/dbraw/zinc/18/10/59/978181059.db2.gz WFXWFJDQADJCMG-GFCCVEGCSA-N 0 1 244.294 2.239 20 0 BEADMN Cc1ccc(F)cc1NC(=O)Cc1cnc[nH]1 ZINC001176825813 978190651 /nfs/dbraw/zinc/19/06/51/978190651.db2.gz AJHBMCQMVPRCBB-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN OCC1CN(Cc2ccc3ccsc3c2)C1 ZINC001232613573 978196641 /nfs/dbraw/zinc/19/66/41/978196641.db2.gz WZGPTVAEKMKNAV-UHFFFAOYSA-N 0 1 233.336 2.325 20 0 BEADMN C=Cc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001176832611 978196912 /nfs/dbraw/zinc/19/69/12/978196912.db2.gz WSIRVSLYCZUVJO-UHFFFAOYSA-N 0 1 227.267 2.234 20 0 BEADMN Cc1cc(C)nc(N2CCCC[C@H]2CO)c1 ZINC000721876809 978204478 /nfs/dbraw/zinc/20/44/78/978204478.db2.gz AXFMLEITKQMQAU-LBPRGKRZSA-N 0 1 220.316 2.050 20 0 BEADMN CC[C@H](Nc1nccnc1CN)c1ccccc1 ZINC001337194383 978210125 /nfs/dbraw/zinc/21/01/25/978210125.db2.gz WSPCZAQHUQZNNF-LBPRGKRZSA-N 0 1 242.326 2.499 20 0 BEADMN Cc1nc(CN(C)C)ccc1Br ZINC001232663651 978215591 /nfs/dbraw/zinc/21/55/91/978215591.db2.gz INKBNJZLZQBZSV-UHFFFAOYSA-N 0 1 229.121 2.214 20 0 BEADMN CN(CCC1CCC1)Cc1ccn(C)n1 ZINC001176887370 978237700 /nfs/dbraw/zinc/23/77/00/978237700.db2.gz REENNIUPKIBPMX-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN C=C/C=C/CCNC(=O)c1cccc(F)c1O ZINC001596839838 978260866 /nfs/dbraw/zinc/26/08/66/978260866.db2.gz RBTYBSPCSWALHX-ONEGZZNKSA-N 0 1 235.258 2.393 20 0 BEADMN COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC001232767308 978268455 /nfs/dbraw/zinc/26/84/55/978268455.db2.gz YBDOBYAXUYNKPP-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN COC(=O)c1cc(CN2CCC[C@@H](C)C2)ccn1 ZINC001232767308 978268463 /nfs/dbraw/zinc/26/84/63/978268463.db2.gz YBDOBYAXUYNKPP-LLVKDONJSA-N 0 1 248.326 2.100 20 0 BEADMN Cc1cc(CN2C[C@H](C)[C@H](O)C2)c(F)cc1F ZINC001232784451 978280198 /nfs/dbraw/zinc/28/01/98/978280198.db2.gz LHWFQTHNKMZEJJ-TVQRCGJNSA-N 0 1 241.281 2.086 20 0 BEADMN COc1cc(O)cc(CN(C)CCSC)c1 ZINC001232810118 978297665 /nfs/dbraw/zinc/29/76/65/978297665.db2.gz ZMRKCQUJRJAZTB-UHFFFAOYSA-N 0 1 241.356 2.196 20 0 BEADMN CCc1nccc(N[C@H](C)Cc2cc(C)n[nH]2)n1 ZINC001337378868 978313049 /nfs/dbraw/zinc/31/30/49/978313049.db2.gz ZMBFGEKROLJDCG-SECBINFHSA-N 0 1 245.330 2.114 20 0 BEADMN CCc1nccc(N[C@@H](C)Cc2cc(C)n[nH]2)n1 ZINC001337378869 978314436 /nfs/dbraw/zinc/31/44/36/978314436.db2.gz ZMBFGEKROLJDCG-VIFPVBQESA-N 0 1 245.330 2.114 20 0 BEADMN Cc1cc(O)cc(CN2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001232886712 978326537 /nfs/dbraw/zinc/32/65/37/978326537.db2.gz VMFIHACCHXFWBB-BETUJISGSA-N 0 1 245.322 2.112 20 0 BEADMN Cc1ccc(CNCc2cccc(F)c2N)cn1 ZINC001177307904 978329385 /nfs/dbraw/zinc/32/93/85/978329385.db2.gz ITFOOWGZDSYDFF-UHFFFAOYSA-N 0 1 245.301 2.401 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCC=CO1 ZINC001597797703 978372002 /nfs/dbraw/zinc/37/20/02/978372002.db2.gz ZZNKLMHYHKQTPF-GFCCVEGCSA-N 0 1 243.266 2.194 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1(C)CC1 ZINC001337521248 978385242 /nfs/dbraw/zinc/38/52/42/978385242.db2.gz FDZABVACQWWCSY-NXEZZACHSA-N 0 1 247.342 2.134 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1(C)CC1 ZINC001337521251 978385388 /nfs/dbraw/zinc/38/53/88/978385388.db2.gz FDZABVACQWWCSY-ZJUUUORDSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001233005027 978393879 /nfs/dbraw/zinc/39/38/79/978393879.db2.gz IESXAFUCLSEHSW-FPMFFAJLSA-N 0 1 234.318 2.488 20 0 BEADMN CCCN(C)C(=O)c1ccc2cncn2c1C ZINC001337624982 978432511 /nfs/dbraw/zinc/43/25/11/978432511.db2.gz MRGUOHOXECRIST-UHFFFAOYSA-N 0 1 231.299 2.125 20 0 BEADMN CN1C[C@@H]2C[C@H]1CN2Cc1ccsc1Cl ZINC001233058947 978449770 /nfs/dbraw/zinc/44/97/70/978449770.db2.gz ZSVUCGOWQWHDOQ-UWVGGRQHSA-N 0 1 242.775 2.290 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(N(C)C)nc2F)C1 ZINC001233114377 978467712 /nfs/dbraw/zinc/46/77/12/978467712.db2.gz IRQJLCRVLSWXSO-SNVBAGLBSA-N 0 1 237.322 2.129 20 0 BEADMN CCCN(C)Cc1ccc(N(C)C)nc1F ZINC001233113023 978470563 /nfs/dbraw/zinc/47/05/63/978470563.db2.gz LCXZGXKXMGBQOH-UHFFFAOYSA-N 0 1 225.311 2.129 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cnc1C ZINC001233157002 978476549 /nfs/dbraw/zinc/47/65/49/978476549.db2.gz YFDSXVNERRDUML-MELADBBJSA-N 0 1 234.318 2.488 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2cccc(C)n2)[nH]n1 ZINC001337809175 978509873 /nfs/dbraw/zinc/50/98/73/978509873.db2.gz IZKQQLGRGKKJQZ-SNVBAGLBSA-N 0 1 230.315 2.465 20 0 BEADMN c1nn2ccccc2c1CN1CC2(CCC2)C1 ZINC001233236726 978510233 /nfs/dbraw/zinc/51/02/33/978510233.db2.gz GBNPTGTXEIQQNT-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN C[C@@H]1COCC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233258885 978515165 /nfs/dbraw/zinc/51/51/65/978515165.db2.gz XWEMDTCSHNPRNB-NSHDSACASA-N 0 1 237.368 2.444 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccc([S-])cc2)CC[C@H]1O ZINC001233259625 978516470 /nfs/dbraw/zinc/51/64/70/978516470.db2.gz ZEGRCTMSDLKKAC-ZWNOBZJWSA-N 0 1 237.368 2.178 20 0 BEADMN CO[C@H]1C[N@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233258931 978516983 /nfs/dbraw/zinc/51/69/83/978516983.db2.gz ZKLAVRQUWKYDBO-RYUDHWBXSA-N 0 1 241.331 2.144 20 0 BEADMN CO[C@H]1C[N@@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233258931 978516989 /nfs/dbraw/zinc/51/69/89/978516989.db2.gz ZKLAVRQUWKYDBO-RYUDHWBXSA-N 0 1 241.331 2.144 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc([S-])cc2)C1 ZINC001233259246 978517803 /nfs/dbraw/zinc/51/78/03/978517803.db2.gz LJENPNORYMIHGI-LLVKDONJSA-N 0 1 223.341 2.196 20 0 BEADMN [S-]c1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC001233259653 978518325 /nfs/dbraw/zinc/51/83/25/978518325.db2.gz ZWUPUZMEXNJYRO-UHFFFAOYSA-N 0 1 235.352 2.340 20 0 BEADMN CCCN(CCOC)Cc1cc(C)ns1 ZINC001233309618 978532139 /nfs/dbraw/zinc/53/21/39/978532139.db2.gz RSNYOHVPFSGFKY-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN Cc1cc(CN2CC[C@]3(CCCO3)C2)sn1 ZINC001233309967 978532819 /nfs/dbraw/zinc/53/28/19/978532819.db2.gz KLMFYCIXPXCIKV-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cc(CN2CC[C@@]3(CCCO3)C2)sn1 ZINC001233309968 978536780 /nfs/dbraw/zinc/53/67/80/978536780.db2.gz KLMFYCIXPXCIKV-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cc(CN2CCC[C@]3(CCO3)C2)sn1 ZINC001233312228 978539855 /nfs/dbraw/zinc/53/98/55/978539855.db2.gz FRGTYUWOWAUNRM-LBPRGKRZSA-N 0 1 238.356 2.206 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1ccc(Cl)o1 ZINC001233313981 978541081 /nfs/dbraw/zinc/54/10/81/978541081.db2.gz AHMFPRBKLATGNF-IUCAKERBSA-N 0 1 229.707 2.278 20 0 BEADMN Cc1cc(CN2CCC[C@]23CCOC3)sn1 ZINC001233313001 978542218 /nfs/dbraw/zinc/54/22/18/978542218.db2.gz YRHRXGSAZSSWPS-GFCCVEGCSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ncc(C)o2)[nH]n1 ZINC001337902105 978556360 /nfs/dbraw/zinc/55/63/60/978556360.db2.gz MBSMAFJWNSBYLG-SSDOTTSWSA-N 0 1 220.276 2.058 20 0 BEADMN NCc1nccnc1N[C@H]1CC12CCCCC2 ZINC001337923323 978565466 /nfs/dbraw/zinc/56/54/66/978565466.db2.gz UJCAKKZCAPSZMF-NSHDSACASA-N 0 1 232.331 2.070 20 0 BEADMN C[C@H](c1nc([C@H]2CN3CCC2CC3)no1)C1CC1 ZINC001337928301 978567874 /nfs/dbraw/zinc/56/78/74/978567874.db2.gz HKTDXCCTSZJPID-CABZTGNLSA-N 0 1 247.342 2.392 20 0 BEADMN C/C=C(C)/C=C/C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001178507601 978575773 /nfs/dbraw/zinc/57/57/73/978575773.db2.gz MLBNVOPFDQMXLE-BMSBTHTQSA-N 0 1 236.359 2.060 20 0 BEADMN C/C=C(C)/C=C/C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001178507601 978575777 /nfs/dbraw/zinc/57/57/77/978575777.db2.gz MLBNVOPFDQMXLE-BMSBTHTQSA-N 0 1 236.359 2.060 20 0 BEADMN Nc1cccc(CN2CCC[C@@H](C(F)F)C2)n1 ZINC001233371189 978584273 /nfs/dbraw/zinc/58/42/73/978584273.db2.gz DLKCVZNXSOLOFU-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN CCN(C)Cc1cn2cccc(Cl)c2n1 ZINC001233419613 978598616 /nfs/dbraw/zinc/59/86/16/978598616.db2.gz GDWRYVBITCEVRC-UHFFFAOYSA-N 0 1 223.707 2.439 20 0 BEADMN Clc1ccn2cc(CN3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC001233389577 978599099 /nfs/dbraw/zinc/59/90/99/978599099.db2.gz QCAODRCRPAIHLZ-AOOOYVTPSA-N 0 1 247.729 2.439 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@H]2C)cc1OC ZINC001233491616 978610849 /nfs/dbraw/zinc/61/08/49/978610849.db2.gz VRJQPXHZAGJHHK-SNVBAGLBSA-N 0 1 249.310 2.076 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@H]1CCCCN1C ZINC001178696433 978617486 /nfs/dbraw/zinc/61/74/86/978617486.db2.gz UFFBKHKLKSBKIS-CYBMUJFWSA-N 0 1 238.375 2.118 20 0 BEADMN CCn1ccc(CNC[C@@H]2CCCC2(F)F)n1 ZINC001178747658 978625613 /nfs/dbraw/zinc/62/56/13/978625613.db2.gz ONUWYMPGMODJTD-JTQLQIEISA-N 0 1 243.301 2.428 20 0 BEADMN Cc1ccncc1CNc1cccc2[nH]nnc21 ZINC001178748776 978626504 /nfs/dbraw/zinc/62/65/04/978626504.db2.gz WVTFRAFIUFOHEF-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@H]1CCC[C@@H]1Oc1n[nH]c(=O)cc1Cl ZINC001233587861 978635623 /nfs/dbraw/zinc/63/56/23/978635623.db2.gz DPSUWFUIHCZREI-XPUUQOCRSA-N 0 1 228.679 2.403 20 0 BEADMN CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001277796134 978654441 /nfs/dbraw/zinc/65/44/41/978654441.db2.gz AIORZXPHXWMIHP-OKILXGFUSA-N 0 1 233.359 2.072 20 0 BEADMN Cc1cc(CN2CC3(COC3)C2)sc1C ZINC001233645903 978658531 /nfs/dbraw/zinc/65/85/31/978658531.db2.gz LGUWVYMEQJLSES-UHFFFAOYSA-N 0 1 223.341 2.197 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC001338328639 978660853 /nfs/dbraw/zinc/66/08/53/978660853.db2.gz RJFQVIWQBVDTBF-BDAKNGLRSA-N 0 1 246.314 2.122 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)[nH]c1C(=O)[O-] ZINC001600193834 978673214 /nfs/dbraw/zinc/67/32/14/978673214.db2.gz TYROJMVKPXBLPJ-PSASIEDQSA-N 0 1 236.315 2.252 20 0 BEADMN Cc1cc(C[N@H+](C)C(C)(C)C)[nH]c1C(=O)[O-] ZINC001600188029 978675165 /nfs/dbraw/zinc/67/51/65/978675165.db2.gz ANCRYXXXJSWSJY-UHFFFAOYSA-N 0 1 224.304 2.252 20 0 BEADMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)[nH]c1C(=O)[O-] ZINC001600193836 978675590 /nfs/dbraw/zinc/67/55/90/978675590.db2.gz TYROJMVKPXBLPJ-WCBMZHEXSA-N 0 1 236.315 2.252 20 0 BEADMN CN1CCN(c2cc(CC(C)(C)C)ccn2)CC1 ZINC001249926808 978688855 /nfs/dbraw/zinc/68/88/55/978688855.db2.gz GALCELRNWGLVQO-UHFFFAOYSA-N 0 1 247.386 2.422 20 0 BEADMN Cc1cccc([C@@H]2CC[N@H+]([C@H](C)C(=O)[O-])C2)c1 ZINC001600524291 978697622 /nfs/dbraw/zinc/69/76/22/978697622.db2.gz FSGSATUTPIMUED-DGCLKSJQSA-N 0 1 233.311 2.257 20 0 BEADMN Cc1cccc([C@H]2CC[N@H+]([C@@H](C)C(=O)[O-])C2)c1 ZINC001600524290 978699123 /nfs/dbraw/zinc/69/91/23/978699123.db2.gz FSGSATUTPIMUED-AAEUAGOBSA-N 0 1 233.311 2.257 20 0 BEADMN Cc1ccccc1[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001600569746 978701026 /nfs/dbraw/zinc/70/10/26/978701026.db2.gz VPJYTDMYVXXRBD-LOWVWBTDSA-N 0 1 231.295 2.072 20 0 BEADMN Cc1ccoc1C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC001600608349 978707189 /nfs/dbraw/zinc/70/71/89/978707189.db2.gz WKLQWUNBKZXDDD-JTQLQIEISA-N 0 1 237.299 2.416 20 0 BEADMN Oc1cccc(O[C@@H]2CN3CCC2CC3)c1F ZINC001233870421 978721265 /nfs/dbraw/zinc/72/12/65/978721265.db2.gz CYENHXOBKFRQRQ-GFCCVEGCSA-N 0 1 237.274 2.004 20 0 BEADMN CC1(C)C(C(=O)Nc2cccnc2CN)C1(C)C ZINC001179697800 978742110 /nfs/dbraw/zinc/74/21/10/978742110.db2.gz LIGURMSXOVCVSH-UHFFFAOYSA-N 0 1 247.342 2.161 20 0 BEADMN CO[C@@H]1CCC[C@H]1C(=O)NOC1CCCCC1 ZINC001338961741 978762051 /nfs/dbraw/zinc/76/20/51/978762051.db2.gz XERQOCKINKTTEG-VXGBXAGGSA-N 0 1 241.331 2.182 20 0 BEADMN Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)[nH]c2c1 ZINC001339056495 978783439 /nfs/dbraw/zinc/78/34/39/978783439.db2.gz SMOGTNRGYWJCOK-SFYZADRCSA-N 0 1 233.246 2.168 20 0 BEADMN COc1cc(F)c(F)cc1O[C@@H]1CCN(C)C1 ZINC001234231399 978798474 /nfs/dbraw/zinc/79/84/74/978798474.db2.gz JHVGRILFSLOAEK-MRVPVSSYSA-N 0 1 243.253 2.056 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN1CCNC(=O)[C@H]1C ZINC001179993327 978803854 /nfs/dbraw/zinc/80/38/54/978803854.db2.gz JMJUPCPJWLFNHW-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN O=C(NCC=CCl)c1n[nH]c2ccccc21 ZINC001180078127 978813581 /nfs/dbraw/zinc/81/35/81/978813581.db2.gz HXXTZTQJEBXBOH-UTCJRWHESA-N 0 1 235.674 2.045 20 0 BEADMN CC(=O)c1cc(O[C@@H]2CCN(C)C2)ccc1C ZINC001234316845 978818744 /nfs/dbraw/zinc/81/87/44/978818744.db2.gz MQALWJQABUSIIG-CYBMUJFWSA-N 0 1 233.311 2.281 20 0 BEADMN CCN(CC)CC(=O)Nc1cnccc1C1CC1 ZINC001180385316 978870913 /nfs/dbraw/zinc/87/09/13/978870913.db2.gz DCFNYBLWOSEWOI-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001601987408 978877172 /nfs/dbraw/zinc/87/71/72/978877172.db2.gz DCIVCIVBGNLSFT-LBPRGKRZSA-N 0 1 248.326 2.126 20 0 BEADMN Fc1nc2nc[nH]c2c(OC2CCCCC2)n1 ZINC001234686241 978897357 /nfs/dbraw/zinc/89/73/57/978897357.db2.gz BPHWYZDRDDCAID-UHFFFAOYSA-N 0 1 236.250 2.204 20 0 BEADMN CCC[C@@H](CC)Oc1nc(F)nc2nc[nH]c21 ZINC001234686285 978898081 /nfs/dbraw/zinc/89/80/81/978898081.db2.gz CQDTXXNTEUNXBL-SSDOTTSWSA-N 0 1 238.266 2.450 20 0 BEADMN CC(C)(C)C(C)(C)CNc1nccnc1CN ZINC001339729249 978901284 /nfs/dbraw/zinc/90/12/84/978901284.db2.gz IDVZGIBUNAXPCW-UHFFFAOYSA-N 0 1 236.363 2.420 20 0 BEADMN CCCCc1ccnc(N2CCN(C)CC2)c1 ZINC001249978243 978902396 /nfs/dbraw/zinc/90/23/96/978902396.db2.gz KSGSTNNTONGVDC-UHFFFAOYSA-N 0 1 233.359 2.176 20 0 BEADMN C[NH+]1CCC(Oc2nc3sccc3[n-]2)CC1 ZINC001234852387 978915558 /nfs/dbraw/zinc/91/55/58/978915558.db2.gz VNJYZLHTHGZKRJ-UHFFFAOYSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@@H+]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852386 978917759 /nfs/dbraw/zinc/91/77/59/978917759.db2.gz VKLJWHHYLKSMSL-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234852386 978917762 /nfs/dbraw/zinc/91/77/62/978917762.db2.gz VKLJWHHYLKSMSL-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@@H+]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234852386 978917766 /nfs/dbraw/zinc/91/77/66/978917766.db2.gz VKLJWHHYLKSMSL-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@H+]1CCC[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234852386 978917767 /nfs/dbraw/zinc/91/77/67/978917767.db2.gz VKLJWHHYLKSMSL-MRVPVSSYSA-N 0 1 237.328 2.097 20 0 BEADMN Cc1ccc(NC(=O)[C@H](C)N2CCCC2)cc1O ZINC001180583114 978918683 /nfs/dbraw/zinc/91/86/83/978918683.db2.gz MEFAEWSQOYLHCA-NSHDSACASA-N 0 1 248.326 2.123 20 0 BEADMN NCc1nccnc1N[C@H]1CCCC2(CC2)C1 ZINC001339841769 978921902 /nfs/dbraw/zinc/92/19/02/978921902.db2.gz ZGYGXZKZKBCEBU-JTQLQIEISA-N 0 1 232.331 2.070 20 0 BEADMN CN1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001339865933 978929962 /nfs/dbraw/zinc/92/99/62/978929962.db2.gz NDQTXADMSOEQDJ-CQSZACIVSA-N 0 1 234.318 2.060 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]2C)ccc1OC ZINC001234951334 978937044 /nfs/dbraw/zinc/93/70/44/978937044.db2.gz FPSRAONZLVDRER-SNVBAGLBSA-N 0 1 249.310 2.076 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1c2nn[nH]c2ccc1C ZINC001180765170 978947002 /nfs/dbraw/zinc/94/70/02/978947002.db2.gz PUSDIJNJJAUPSU-RKDXNWHRSA-N 0 1 244.298 2.251 20 0 BEADMN Cc1cccc(C2(NC(=O)[C@H](C)N(C)C)CC2)c1 ZINC001180862918 978955208 /nfs/dbraw/zinc/95/52/08/978955208.db2.gz BTFZIWDWQZPSLC-LBPRGKRZSA-N 0 1 246.354 2.050 20 0 BEADMN C[C@@H](C(=O)Nc1cc2ccccc2n1C)N(C)C ZINC001180861219 978957640 /nfs/dbraw/zinc/95/76/40/978957640.db2.gz SXVMPNPDZAEWNK-JTQLQIEISA-N 0 1 245.326 2.067 20 0 BEADMN O=C(C[C@H]1CC=CCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001340149538 978980086 /nfs/dbraw/zinc/98/00/86/978980086.db2.gz XKCLONVCGFBPPU-MELADBBJSA-N 0 1 248.370 2.086 20 0 BEADMN O[C@@H]1CCCN(Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235233301 979002882 /nfs/dbraw/zinc/00/28/82/979002882.db2.gz CZLKTBZJLMUYKA-GFCCVEGCSA-N 0 1 248.301 2.264 20 0 BEADMN Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)cc(C)n1 ZINC001181073178 979003889 /nfs/dbraw/zinc/00/38/89/979003889.db2.gz NKUPDYKDSAVKLD-UONOGXRCSA-N 0 1 247.386 2.223 20 0 BEADMN Cc1cc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)cc(C)n1 ZINC001181073177 979005714 /nfs/dbraw/zinc/00/57/14/979005714.db2.gz NKUPDYKDSAVKLD-KGLIPLIRSA-N 0 1 247.386 2.223 20 0 BEADMN CCc1cccc(CN2CC3(C2)CCOCC3)n1 ZINC001235258282 979009210 /nfs/dbraw/zinc/00/92/10/979009210.db2.gz OKYAJKKLJWSVGB-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN COc1cc(CN2CCC[C@H](C)C2)c(F)cn1 ZINC001235321240 979021911 /nfs/dbraw/zinc/02/19/11/979021911.db2.gz UBLWJBDITBRCFN-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN COC[C@@H]1CCCN1Cc1cc(C)cnc1F ZINC001235332370 979023966 /nfs/dbraw/zinc/02/39/66/979023966.db2.gz PGSMYPLQKKUZHL-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c[nH]1 ZINC001602255310 979098716 /nfs/dbraw/zinc/09/87/16/979098716.db2.gz FUWOHWFUHYONJP-GFCCVEGCSA-N 0 1 248.326 2.335 20 0 BEADMN Cc1cncc(C)c1NC(=O)[C@@H](C)C(F)(F)F ZINC001340810809 979117336 /nfs/dbraw/zinc/11/73/36/979117336.db2.gz QKEXUHCQUUYWSE-MRVPVSSYSA-N 0 1 246.232 2.257 20 0 BEADMN O=C([O-])c1cc[nH+]c(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001602482954 979117708 /nfs/dbraw/zinc/11/77/08/979117708.db2.gz UTPMLUKBAFCPOC-MIMYLULJSA-N 0 1 232.283 2.380 20 0 BEADMN Fc1ccc2nc(CN3CC[C@@H](F)C3)[nH]c2c1 ZINC001235683804 979118171 /nfs/dbraw/zinc/11/81/71/979118171.db2.gz PSXDWMQFNVECEM-SECBINFHSA-N 0 1 237.253 2.246 20 0 BEADMN COC[C@@H]1CCCN1Cc1ccc(F)nc1C ZINC001235806177 979153711 /nfs/dbraw/zinc/15/37/11/979153711.db2.gz RBUKDKWTADVOQR-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN C[C@H]1CCN(CCCC(C)(F)F)[C@H](C(N)=O)C1 ZINC001341174642 979260779 /nfs/dbraw/zinc/26/07/79/979260779.db2.gz MWXJZPQGTLCIND-UWVGGRQHSA-N 0 1 248.317 2.008 20 0 BEADMN Oc1c(F)cc(F)c(-c2cccnn2)c1F ZINC001235987294 979265072 /nfs/dbraw/zinc/26/50/72/979265072.db2.gz WBSJHJXNBRMKDZ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cn1ccc(-c2c(F)cc(F)c(O)c2F)n1 ZINC001235995981 979268520 /nfs/dbraw/zinc/26/85/20/979268520.db2.gz RRZQYXBAJHFAHI-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C1CC1)[C@@H]1C=CCCC1 ZINC001602819830 979269125 /nfs/dbraw/zinc/26/91/25/979269125.db2.gz JHWYUNUFCLACLZ-VHSXEESVSA-N 0 1 209.289 2.033 20 0 BEADMN Cn1cnc(-c2c(F)cc(F)c(O)c2F)c1 ZINC001235993890 979285710 /nfs/dbraw/zinc/28/57/10/979285710.db2.gz GZCVSSYXMFXJIS-UHFFFAOYSA-N 0 1 228.173 2.210 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC001602956840 979337839 /nfs/dbraw/zinc/33/78/39/979337839.db2.gz AEGXALOZCJRQHF-YOOZJCNJSA-N 0 1 245.269 2.139 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001602958732 979342054 /nfs/dbraw/zinc/34/20/54/979342054.db2.gz XIMKUWOZMXVOPK-PRWOLLLXSA-N 0 1 246.310 2.249 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC(C)(C)C1CC1 ZINC001181996103 979398144 /nfs/dbraw/zinc/39/81/44/979398144.db2.gz JUAYNANOFPMJFJ-GFCCVEGCSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cncs1 ZINC001603255615 979416226 /nfs/dbraw/zinc/41/62/26/979416226.db2.gz QYFGGCJUBFJAEB-ZETCQYMHSA-N 0 1 249.295 2.409 20 0 BEADMN CCc1cccc(C)c1CN1CC[C@@H]1NC ZINC001236168324 979418760 /nfs/dbraw/zinc/41/87/60/979418760.db2.gz RZIZCNOIUAMPQK-CQSZACIVSA-N 0 1 218.344 2.309 20 0 BEADMN OCCCN1CCC[C@H]1c1c(F)cccc1F ZINC001236188638 979442699 /nfs/dbraw/zinc/44/26/99/979442699.db2.gz BENQCVOIFGAJOR-LBPRGKRZSA-N 0 1 241.281 2.484 20 0 BEADMN COc1cccc(CN2CC[C@@]23CCOC3)c1C ZINC001341546219 979462381 /nfs/dbraw/zinc/46/23/81/979462381.db2.gz ICZUHQRWHPUFAA-HNNXBMFYSA-N 0 1 247.338 2.368 20 0 BEADMN CN(CCO)Cc1ccc(-c2ccsc2)nc1 ZINC001236255119 979471268 /nfs/dbraw/zinc/47/12/68/979471268.db2.gz JAUICRBIPXGATK-UHFFFAOYSA-N 0 1 248.351 2.234 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001603766787 979513547 /nfs/dbraw/zinc/51/35/47/979513547.db2.gz JVLXTHCWXAYDPX-NXEZZACHSA-N 0 1 249.301 2.463 20 0 BEADMN CC(C)CCC[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC001603790517 979520938 /nfs/dbraw/zinc/52/09/38/979520938.db2.gz SLDXFMLMPUNMRG-LBPRGKRZSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)CCC[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC001603790514 979521929 /nfs/dbraw/zinc/52/19/29/979521929.db2.gz SLDXFMLMPUNMRG-GFCCVEGCSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1ccc(C(=O)[O-])n1C ZINC001603793204 979522643 /nfs/dbraw/zinc/52/26/43/979522643.db2.gz WTZXHZGVJPSEFN-UHFFFAOYSA-N 0 1 238.331 2.201 20 0 BEADMN COc1cc2[nH]cnc2cc1-c1ccc(N)nc1 ZINC001236313820 979523285 /nfs/dbraw/zinc/52/32/85/979523285.db2.gz ZKSFQJIUGNRXTC-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN C[N@H+](CCCC(=O)[O-])Cc1nc(Cl)cs1 ZINC001604167342 979588934 /nfs/dbraw/zinc/58/89/34/979588934.db2.gz ILGAREJNNGKRCW-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1nc(Cl)cs1 ZINC001604167342 979588938 /nfs/dbraw/zinc/58/89/38/979588938.db2.gz ILGAREJNNGKRCW-UHFFFAOYSA-N 0 1 248.735 2.093 20 0 BEADMN CCc1ncc(CN2C[C@H]3CCCC[C@H]32)cn1 ZINC001182744241 979632482 /nfs/dbraw/zinc/63/24/82/979632482.db2.gz XQCJTRGDJQIUNN-CHWSQXEVSA-N 0 1 231.343 2.413 20 0 BEADMN C[C@H](NC(=O)Cc1ccc2nc[nH]c2c1)C1CC1 ZINC001182844535 979643243 /nfs/dbraw/zinc/64/32/43/979643243.db2.gz LVVMJXQTSUHALJ-VIFPVBQESA-N 0 1 243.310 2.020 20 0 BEADMN O=C(Cc1ccc2nc[nH]c2c1)Nc1ccc[nH]1 ZINC001182842678 979660089 /nfs/dbraw/zinc/66/00/89/979660089.db2.gz QLVZZGDAJTVQFM-UHFFFAOYSA-N 0 1 240.266 2.072 20 0 BEADMN CCN(CCn1cccn1)Cc1oc(C)nc1C ZINC001236595520 979673014 /nfs/dbraw/zinc/67/30/14/979673014.db2.gz UMIGHLZNVGZCCW-UHFFFAOYSA-N 0 1 248.330 2.010 20 0 BEADMN COC[C@H]1CCCN1Cc1ccc(F)c(O)c1 ZINC001236704668 979697382 /nfs/dbraw/zinc/69/73/82/979697382.db2.gz XVJBQGDPLHBMCT-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN Cc1[nH]nc(CNc2ncncc2Cl)c1C ZINC000716446703 979701130 /nfs/dbraw/zinc/70/11/30/979701130.db2.gz KYQJVTLUKYDYIM-UHFFFAOYSA-N 0 1 237.694 2.082 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccc(F)c(O)c2)C1 ZINC001236707764 979706025 /nfs/dbraw/zinc/70/60/25/979706025.db2.gz KRSCMWYYGSOXQL-LLVKDONJSA-N 0 1 239.290 2.142 20 0 BEADMN CC(C)[N@H+](CCCO)Cc1ccc(F)c([O-])c1 ZINC001236706237 979706547 /nfs/dbraw/zinc/70/65/47/979706547.db2.gz VEHRHPAPNXATLI-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN CC(C)[N@@H+](CCCO)Cc1ccc(F)c([O-])c1 ZINC001236706237 979706556 /nfs/dbraw/zinc/70/65/56/979706556.db2.gz VEHRHPAPNXATLI-UHFFFAOYSA-N 0 1 241.306 2.124 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])n1C ZINC001604698295 979707216 /nfs/dbraw/zinc/70/72/16/979707216.db2.gz QDUSKORXDQGDQZ-AOOOYVTPSA-N 0 1 236.315 2.096 20 0 BEADMN C[C@H]1CC[N@@H+](C[Si](C)(C)C)[C@H](C(=O)[O-])C1 ZINC001604753633 979717673 /nfs/dbraw/zinc/71/76/73/979717673.db2.gz GGARYYHNZUZOHA-UWVGGRQHSA-N 0 1 229.396 2.049 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC1CC(F)(F)C1 ZINC001605004437 979794342 /nfs/dbraw/zinc/79/43/42/979794342.db2.gz VBFXELIKTPFLQS-PSASIEDQSA-N 0 1 247.285 2.359 20 0 BEADMN Cc1cc(CN(C)[C@H](C)c2ccccn2)n[nH]1 ZINC001342420489 979798211 /nfs/dbraw/zinc/79/82/11/979798211.db2.gz IVTKZUGQFZTKHP-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN CCCCCCN1CCN[C@H](C(F)(F)F)C1 ZINC001236978898 979801706 /nfs/dbraw/zinc/80/17/06/979801706.db2.gz BQRAMSIKNGGHEZ-JTQLQIEISA-N 0 1 238.297 2.403 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cn1 ZINC001183359905 979816473 /nfs/dbraw/zinc/81/64/73/979816473.db2.gz KPWFXSABGXNEOA-CYBMUJFWSA-N 0 1 249.358 2.169 20 0 BEADMN C[C@@H]1CN(CC2OC=CC2=S)[C@H](C)CO1 ZINC001237183473 979831809 /nfs/dbraw/zinc/83/18/09/979831809.db2.gz JJGIZBOJIZSHMG-RKDXNWHRSA-N 0 1 227.329 2.178 20 0 BEADMN Nc1cccc(CN2CCc3cnccc3C2)c1 ZINC001237216432 979848713 /nfs/dbraw/zinc/84/87/13/979848713.db2.gz BLHGLGBGDNZAHR-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN Nc1cccc(CN2CCc3cccnc3C2)c1 ZINC001237218699 979849263 /nfs/dbraw/zinc/84/92/63/979849263.db2.gz BNXSAKGTNSZCAS-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN Cc1cncc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001605376602 979860934 /nfs/dbraw/zinc/86/09/34/979860934.db2.gz VOJQFCSQKONTOI-DGCLKSJQSA-N 0 1 248.326 2.218 20 0 BEADMN CN(C)Cc1ccncc1C(F)(F)F ZINC001237290002 979864251 /nfs/dbraw/zinc/86/42/51/979864251.db2.gz YOWCEVIPBSDRQR-UHFFFAOYSA-N 0 1 204.195 2.162 20 0 BEADMN FC1CCN(Cc2ccn3nccc3c2)CC1 ZINC001237548835 979937711 /nfs/dbraw/zinc/93/77/11/979937711.db2.gz IWOFLYVORDBOSC-UHFFFAOYSA-N 0 1 233.290 2.268 20 0 BEADMN C[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1(C)CCCC1 ZINC001606096742 979949691 /nfs/dbraw/zinc/94/96/91/979949691.db2.gz NGYRWUMTNPVNHU-IUCAKERBSA-N 0 1 247.285 2.217 20 0 BEADMN C[N@@H+](CC(C)(C)C)[C@@H](C(=O)[O-])c1cccnc1 ZINC001606090332 979951730 /nfs/dbraw/zinc/95/17/30/979951730.db2.gz KYYKIWDOHGCYNX-LLVKDONJSA-N 0 1 236.315 2.185 20 0 BEADMN C[N@@H+](C[C@@H]1[C@H](C(=O)[O-])C1(F)F)C1(C)CCCC1 ZINC001606096743 979951835 /nfs/dbraw/zinc/95/18/35/979951835.db2.gz NGYRWUMTNPVNHU-RKDXNWHRSA-N 0 1 247.285 2.217 20 0 BEADMN C[N@@H+](CC1CC=CC1)C(C)(C)CC(=O)[O-] ZINC001606099272 979955736 /nfs/dbraw/zinc/95/57/36/979955736.db2.gz BGQFFMUUAHODMZ-UHFFFAOYSA-N 0 1 211.305 2.138 20 0 BEADMN Cc1coc(CN2CCC3(CC3)CC2)n1 ZINC001237640461 979988604 /nfs/dbraw/zinc/98/86/04/979988604.db2.gz ZIIZUAFBZKIUKJ-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN Cc1coc(CN(C)CC2CC(F)(F)C2)n1 ZINC001237644176 979993240 /nfs/dbraw/zinc/99/32/40/979993240.db2.gz BHGIFRKSXGQYBL-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN CNc1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001606313560 979995856 /nfs/dbraw/zinc/99/58/56/979995856.db2.gz STHVIXZKWWYUCF-ZYHUDNBSSA-N 0 1 248.326 2.023 20 0 BEADMN CCc1n[nH]cc1CN1C[C@@H](C)C[C@H]1CF ZINC001237651412 980006446 /nfs/dbraw/zinc/00/64/46/980006446.db2.gz LAADKAPIUVZRSF-ONGXEEELSA-N 0 1 225.311 2.152 20 0 BEADMN Cc1cc(CNC(C)(C)/C=C\Cl)[nH]n1 ZINC001343098614 980009931 /nfs/dbraw/zinc/00/99/31/980009931.db2.gz SUEQWDLBCSBJEZ-PLNGDYQASA-N 0 1 213.712 2.339 20 0 BEADMN CCc1nc(OC)ccc1Nc1ccncc1 ZINC001203586417 980056906 /nfs/dbraw/zinc/05/69/06/980056906.db2.gz YUACRQYPYCYJGE-UHFFFAOYSA-N 0 1 229.283 2.213 20 0 BEADMN Cc1nc(CN2CC3CC(C3)C2)ccc1F ZINC001237827004 980070835 /nfs/dbraw/zinc/07/08/35/980070835.db2.gz MLECRIWWSOFMJW-UHFFFAOYSA-N 0 1 220.291 2.371 20 0 BEADMN CCc1ncc(CN2CC[C@H](O)C[C@H]2C)s1 ZINC001237826339 980073972 /nfs/dbraw/zinc/07/39/72/980073972.db2.gz IXBLWSZORUAFRA-ZJUUUORDSA-N 0 1 240.372 2.051 20 0 BEADMN O=C(OCc1ccc2[nH]nnc2c1)C1CCCC1 ZINC001343431327 980107924 /nfs/dbraw/zinc/10/79/24/980107924.db2.gz RJHSDFWJMVSIBO-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN O=C(OCc1ccc2nn[nH]c2c1)C1CCCC1 ZINC001343431327 980107928 /nfs/dbraw/zinc/10/79/28/980107928.db2.gz RJHSDFWJMVSIBO-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN COc1ccoc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237873599 980108246 /nfs/dbraw/zinc/10/82/46/980108246.db2.gz GLPSBAUYOXWZTK-GUBZILKMSA-N 0 1 225.263 2.221 20 0 BEADMN COc1ccoc1CN1CCC[C@H]2C[C@H]21 ZINC001237876031 980108739 /nfs/dbraw/zinc/10/87/39/980108739.db2.gz LIPGQBFOKZYUEM-VHSXEESVSA-N 0 1 207.273 2.273 20 0 BEADMN Cc1cn(C[C@@H]2CCCC[C@H]2C(=O)[O-])c(C)[nH+]1 ZINC001607900785 980135779 /nfs/dbraw/zinc/13/57/79/980135779.db2.gz VNOABXZHJBAKKA-NWDGAFQWSA-N 0 1 236.315 2.391 20 0 BEADMN Cc1ccnc(C[N@H+](C)C(C)(C)CC(=O)[O-])c1 ZINC001607892824 980136989 /nfs/dbraw/zinc/13/69/89/980136989.db2.gz AHJDKCHPDFQUEO-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ccc(O)cc1CN1CCSCC1 ZINC001238092708 980143184 /nfs/dbraw/zinc/14/31/84/980143184.db2.gz JLRQKFUDSOKTOA-UHFFFAOYSA-N 0 1 223.341 2.249 20 0 BEADMN Cc1ccc(O)cc1CN1C[C@H]2CC[C@@H](C1)C2=O ZINC001238107065 980158482 /nfs/dbraw/zinc/15/84/82/980158482.db2.gz PTGXJNFJKVMSLA-TXEJJXNPSA-N 0 1 245.322 2.112 20 0 BEADMN FC[C@H]1CCCN1Cc1cccc2cncn21 ZINC001238115624 980165723 /nfs/dbraw/zinc/16/57/23/980165723.db2.gz LLOJSGIKEYGXSD-LLVKDONJSA-N 0 1 233.290 2.268 20 0 BEADMN CCCN(CCC)Cc1c(N)ccnc1F ZINC001238153389 980178322 /nfs/dbraw/zinc/17/83/22/980178322.db2.gz MXAVJMUNFDCQRZ-UHFFFAOYSA-N 0 1 225.311 2.425 20 0 BEADMN C[C@H]1CCCN(Cc2c(N)ccnc2F)[C@H]1C ZINC001238157732 980180267 /nfs/dbraw/zinc/18/02/67/980180267.db2.gz YNENFSCBRQNREE-UWVGGRQHSA-N 0 1 237.322 2.423 20 0 BEADMN CC(C)C(NC(=O)c1ccc(CN)o1)C(C)C ZINC001343691801 980194085 /nfs/dbraw/zinc/19/40/85/980194085.db2.gz MYRWXSZTOCIGMH-UHFFFAOYSA-N 0 1 238.331 2.149 20 0 BEADMN Cc1ncncc1CN1CC2(C1)CCCC2 ZINC001238169529 980203078 /nfs/dbraw/zinc/20/30/78/980203078.db2.gz VRTRIGYCSJPWSG-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN CC1CN(Cc2cncc(C3CC3)c2)C1 ZINC001238182188 980212665 /nfs/dbraw/zinc/21/26/65/980212665.db2.gz PHINGJPARNFNLN-UHFFFAOYSA-N 0 1 202.301 2.411 20 0 BEADMN CN(Cc1cncc(C2CC2)c1)[C@@H]1CCOC1 ZINC001238186353 980213276 /nfs/dbraw/zinc/21/32/76/980213276.db2.gz ACKWIHJSXUOGIQ-CQSZACIVSA-N 0 1 232.327 2.180 20 0 BEADMN C[C@@H]1CN(Cc2cncc(C3CC3)c2)CCN1C ZINC001238189694 980218474 /nfs/dbraw/zinc/21/84/74/980218474.db2.gz PNBAMGSBKTVQPH-GFCCVEGCSA-N 0 1 245.370 2.095 20 0 BEADMN c1ncc(C2CC2)cc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001238195226 980223609 /nfs/dbraw/zinc/22/36/09/980223609.db2.gz XEMCRIRYPCQLGC-DZGCQCFKSA-N 0 1 244.338 2.180 20 0 BEADMN O=C([O-])C1=CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC001608591705 980242712 /nfs/dbraw/zinc/24/27/12/980242712.db2.gz SFSNLXSNUWASRS-SECBINFHSA-N 0 1 243.266 2.148 20 0 BEADMN CO[C@H](C)C1CN(Cc2ncc(C)cc2C)C1 ZINC001238434382 980261538 /nfs/dbraw/zinc/26/15/38/980261538.db2.gz CPMPLCGABPRRAK-GFCCVEGCSA-N 0 1 234.343 2.165 20 0 BEADMN CC(C)Oc1cncc(CN(C)C2CC2)c1 ZINC001238462372 980272171 /nfs/dbraw/zinc/27/21/71/980272171.db2.gz MTNUODGBWDCTMQ-UHFFFAOYSA-N 0 1 220.316 2.463 20 0 BEADMN Cn1ccnc1[C@@H](NC/C=C/C1CC1)C1CC1 ZINC001343925386 980278974 /nfs/dbraw/zinc/27/89/74/980278974.db2.gz DOPBWWHZZXJLAS-IBUXWKBASA-N 0 1 231.343 2.427 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1ccccc1Cl ZINC000074673503 980382814 /nfs/dbraw/zinc/38/28/14/980382814.db2.gz KCMGXOWWJRUTCA-UHFFFAOYSA-N 0 1 235.674 2.244 20 0 BEADMN C=Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC001186526663 980390733 /nfs/dbraw/zinc/39/07/33/980390733.db2.gz NPAFCDNFESEYII-AWEZNQCLSA-N 0 1 244.338 2.154 20 0 BEADMN NCc1ncc(-c2cccc(Cl)c2F)cn1 ZINC001238958830 980395637 /nfs/dbraw/zinc/39/56/37/980395637.db2.gz QKMXBHIIGZASDM-UHFFFAOYSA-N 0 1 237.665 2.395 20 0 BEADMN Cc1ccc(CCOC(=O)c2[nH]cnc2C)o1 ZINC001344570000 980430380 /nfs/dbraw/zinc/43/03/80/980430380.db2.gz QPOAODJCZFCDLO-UHFFFAOYSA-N 0 1 234.255 2.019 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@H]3CCC=N3)ccc12 ZINC001187365591 980503944 /nfs/dbraw/zinc/50/39/44/980503944.db2.gz NSAVKLPSUUOEHG-LLVKDONJSA-N 0 1 242.282 2.043 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)OC[C@@H](C)CC ZINC001239336871 980543597 /nfs/dbraw/zinc/54/35/97/980543597.db2.gz UXJCRJDPRAKNEV-NWDGAFQWSA-N 0 1 242.363 2.243 20 0 BEADMN CCC(CC)CNC(=O)c1n[nH]cc1Cl ZINC001187829972 980563350 /nfs/dbraw/zinc/56/33/50/980563350.db2.gz CRZWHLVRXPRTJU-UHFFFAOYSA-N 0 1 229.711 2.229 20 0 BEADMN O=C(c1[nH]ncc1Cl)N1CCC12CCCC2 ZINC001187831465 980563874 /nfs/dbraw/zinc/56/38/74/980563874.db2.gz FFYVSQUWAFQKKB-UHFFFAOYSA-N 0 1 239.706 2.222 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cnc(C2CC2)s1 ZINC001188050879 980581314 /nfs/dbraw/zinc/58/13/14/980581314.db2.gz XUMVFNAYKKLOFU-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN Cc1cc(CNCc2cc(C)nc(C)c2)[nH]n1 ZINC001345229168 980588634 /nfs/dbraw/zinc/58/86/34/980588634.db2.gz OGNUPBUVVCVFBP-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1cc(CNCc2cc(C)nc(C)c2)n[nH]1 ZINC001345229168 980588639 /nfs/dbraw/zinc/58/86/39/980588639.db2.gz OGNUPBUVVCVFBP-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1nc(-c2ccc(F)cc2)nc2nc[nH]c21 ZINC001239473165 980605296 /nfs/dbraw/zinc/60/52/96/980605296.db2.gz YKXWMVWOXZAKFA-UHFFFAOYSA-N 0 1 228.230 2.419 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@H]1CC12CCC2 ZINC001345595814 980640554 /nfs/dbraw/zinc/64/05/54/980640554.db2.gz UIWLNQRGMWZDAE-VIFPVBQESA-N 0 1 220.272 2.065 20 0 BEADMN CC(C)N(C(=O)c1ccncc1O)C(C)C ZINC001188622246 980682870 /nfs/dbraw/zinc/68/28/70/980682870.db2.gz OIZGMELYAMMEJP-UHFFFAOYSA-N 0 1 222.288 2.046 20 0 BEADMN CCC[C@H](C)COC(=O)c1[nH]cnc1C ZINC001345888664 980704274 /nfs/dbraw/zinc/70/42/74/980704274.db2.gz XSWHSHKACLWGEC-QMMMGPOBSA-N 0 1 210.277 2.311 20 0 BEADMN CS[C@H](C)[C@H](C)OC(=O)c1[nH]cnc1C ZINC001345913222 980707347 /nfs/dbraw/zinc/70/73/47/980707347.db2.gz OGOCSILUAQXJOP-JGVFFNPUSA-N 0 1 228.317 2.015 20 0 BEADMN COc1ccccc1-c1nc2nc[nH]c2c(C)n1 ZINC001239538799 980715511 /nfs/dbraw/zinc/71/55/11/980715511.db2.gz ZZPUTNKJLUIMSV-UHFFFAOYSA-N 0 1 240.266 2.289 20 0 BEADMN Cc1nc2c[nH]cc(-c3cccnc3)c-2n1 ZINC001239568744 980754105 /nfs/dbraw/zinc/75/41/05/980754105.db2.gz DNRBGTLCZCZTSG-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1nc2c(cncc2-c2cccnc2)[nH]1 ZINC001239568744 980754109 /nfs/dbraw/zinc/75/41/09/980754109.db2.gz DNRBGTLCZCZTSG-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN c1cn(CCc2ccc3nc[nH]c3c2)cn1 ZINC001250319576 980764808 /nfs/dbraw/zinc/76/48/08/980764808.db2.gz VRNSFAOTRAYJME-UHFFFAOYSA-N 0 1 212.256 2.002 20 0 BEADMN Cc1nc2ccc(Cn3cnc(Cl)n3)cc2[nH]1 ZINC001189450043 980792784 /nfs/dbraw/zinc/79/27/84/980792784.db2.gz MUFCHINQALOOGM-UHFFFAOYSA-N 0 1 247.689 2.165 20 0 BEADMN Cc1cccc(C)c1-c1ncc2c(n1)CNC2 ZINC001239595624 980794104 /nfs/dbraw/zinc/79/41/04/980794104.db2.gz SPZVIYZPCIGIBT-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Cc1nc[nH]c1C(=O)OC[C@@]1(C)C[C@]1(F)Cl ZINC001346268895 980802242 /nfs/dbraw/zinc/80/22/42/980802242.db2.gz GXVUCZHTCHTBGK-NXEZZACHSA-N 0 1 246.669 2.190 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(F)c(O)c1 ZINC001190138203 980850290 /nfs/dbraw/zinc/85/02/90/980850290.db2.gz KSLVKHNIVQRASF-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN Cc1cccc(-c2ncnc3c2CNC3)c1C ZINC001239714562 980867844 /nfs/dbraw/zinc/86/78/44/980867844.db2.gz WGQWVDDLLUAFNO-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)c2coc(C)c2)n[nH]1 ZINC001346758309 980900258 /nfs/dbraw/zinc/90/02/58/980900258.db2.gz RPHOUCAGBOLHME-MRVPVSSYSA-N 0 1 249.270 2.187 20 0 BEADMN CCc1nc(SCc2nnc[nH]2)sc1C ZINC001346833964 980916515 /nfs/dbraw/zinc/91/65/15/980916515.db2.gz GJCXAOYVQPEDGP-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN COc1ccc(-c2ncnc3c2CNC3)c(C)c1 ZINC001239824817 980971474 /nfs/dbraw/zinc/97/14/74/980971474.db2.gz YZBSPZSWWPHPIX-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN COc1ncc(-c2cc3nc[nH]c3cc2C)cn1 ZINC001239845150 980982792 /nfs/dbraw/zinc/98/27/92/980982792.db2.gz MJIVGPRQNKVOAR-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncc(-c2ccc3nc(C)[nH]c3c2)cn1 ZINC001239845471 980983403 /nfs/dbraw/zinc/98/34/03/980983403.db2.gz REXUPSIDIGDJBF-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1ncccc1-c1cccc2[nH]nnc21 ZINC001239858579 981001007 /nfs/dbraw/zinc/00/10/07/981001007.db2.gz UERRXUXBQAYMOW-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CCC(=O)c1cccc(NCc2nnc[nH]2)c1 ZINC001347178756 981003912 /nfs/dbraw/zinc/00/39/12/981003912.db2.gz PEVQDQRYDONLBP-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN CN(CC1CCC1)C(=O)c1cccc2[nH]cnc21 ZINC001347214680 981011387 /nfs/dbraw/zinc/01/13/87/981011387.db2.gz QHNOGKJLARVBEJ-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595415276 981027052 /nfs/dbraw/zinc/02/70/52/981027052.db2.gz BWRYVTXPILYYCB-GXSJLCMTSA-N 0 1 236.315 2.476 20 0 BEADMN Cc1[nH]nc(CNC(=O)C(F)=C2CCC2)c1C ZINC001347275100 981032222 /nfs/dbraw/zinc/03/22/22/981032222.db2.gz HJSWHZWFUZZXGF-UHFFFAOYSA-N 0 1 237.278 2.050 20 0 BEADMN COc1cncc(-c2ccc(CN(C)C)cn2)c1 ZINC001239929284 981038274 /nfs/dbraw/zinc/03/82/74/981038274.db2.gz WPSHCNNFBOZRQA-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN COCc1ccccc1-c1cc(N)ccn1 ZINC001239950083 981055567 /nfs/dbraw/zinc/05/55/67/981055567.db2.gz MEFXXUKOLCHCIZ-UHFFFAOYSA-N 0 1 214.268 2.477 20 0 BEADMN C[S@](=O)c1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC001347471771 981088863 /nfs/dbraw/zinc/08/88/63/981088863.db2.gz GVOMFVYUEIDHJQ-DCGLDWPTSA-N 0 1 249.379 2.266 20 0 BEADMN CCC(=CC(=O)NCc1n[nH]c(C)c1C)CC ZINC001347613635 981128760 /nfs/dbraw/zinc/12/87/60/981128760.db2.gz JZTOFLNJFRUTIK-UHFFFAOYSA-N 0 1 235.331 2.389 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC001595463620 981146239 /nfs/dbraw/zinc/14/62/39/981146239.db2.gz AQEGPNSJDSETFG-MRVPVSSYSA-N 0 1 240.328 2.073 20 0 BEADMN Cc1nn(C)c(C)c1-c1cccc2cncn21 ZINC001240146818 981146631 /nfs/dbraw/zinc/14/66/31/981146631.db2.gz BLHURTBIZDQSKT-UHFFFAOYSA-N 0 1 226.283 2.352 20 0 BEADMN c1cn2cc(-c3nccc4[nH]cnc43)ccc2n1 ZINC001240214182 981160889 /nfs/dbraw/zinc/16/08/89/981160889.db2.gz GEPFFHYGSBZCDV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC(=O)c1ccc(CN(CCCO)C2CC2)cc1 ZINC001347826217 981185664 /nfs/dbraw/zinc/18/56/64/981185664.db2.gz IPZGKSNZPAWUKM-UHFFFAOYSA-N 0 1 247.338 2.236 20 0 BEADMN Fc1cncc(-c2cncc3nc[nH]c32)c1 ZINC001240234464 981190277 /nfs/dbraw/zinc/19/02/77/981190277.db2.gz GAANMALEDJRAMR-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1cc(-c2cc3[nH]nnc3cc2F)ccn1 ZINC001240257340 981231065 /nfs/dbraw/zinc/23/10/65/981231065.db2.gz UADSPYPZOCWRRF-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)ccn1 ZINC001240257555 981233388 /nfs/dbraw/zinc/23/33/88/981233388.db2.gz FAGNFXUTEFNPFA-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(C)Cc1cccc(-c2cnn(C)c2)c1F ZINC001240297674 981254287 /nfs/dbraw/zinc/25/42/87/981254287.db2.gz NKOMUBYZAWVLHB-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN(C)c1ccc2nc(-c3cnoc3)[nH]c2c1 ZINC001250509189 981276441 /nfs/dbraw/zinc/27/64/41/981276441.db2.gz WOURAMFWENLIGJ-UHFFFAOYSA-N 0 1 228.255 2.284 20 0 BEADMN COCCOC(=O)Nc1cccc(Cl)c1O ZINC001193406684 981301217 /nfs/dbraw/zinc/30/12/17/981301217.db2.gz YKKRPUZBIZPTNH-UHFFFAOYSA-N 0 1 245.662 2.241 20 0 BEADMN c1nc2ccc(-c3cccc4cncn43)cn2n1 ZINC001240357759 981315765 /nfs/dbraw/zinc/31/57/65/981315765.db2.gz BKORBHCPRHEITH-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN Cc1cc2nc(-c3ccnn3C)[nH]c2cc1F ZINC001250515728 981324030 /nfs/dbraw/zinc/32/40/30/981324030.db2.gz URDJFFAIGIZOQX-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H](CC)[C@@H]2C)n1 ZINC001193608330 981382475 /nfs/dbraw/zinc/38/24/75/981382475.db2.gz XKGTYOLKPVNFHB-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H](CC)[C@@H]2C)n1 ZINC001193608330 981382482 /nfs/dbraw/zinc/38/24/82/981382482.db2.gz XKGTYOLKPVNFHB-QWRGUYRKSA-N 0 1 249.358 2.365 20 0 BEADMN CCn1ccnc1-c1nc2ccc(OC)cc2[nH]1 ZINC001250531094 981397789 /nfs/dbraw/zinc/39/77/89/981397789.db2.gz GCVBIHWHXKINJQ-UHFFFAOYSA-N 0 1 242.282 2.455 20 0 BEADMN Cc1sccc1-c1cc2c(nn1)CNC2 ZINC001240499578 981422713 /nfs/dbraw/zinc/42/27/13/981422713.db2.gz QOPQQHJSEZMQFT-UHFFFAOYSA-N 0 1 217.297 2.117 20 0 BEADMN O=C(Nc1ccc[nH]1)c1ccc(F)c(O)c1F ZINC001193768826 981446724 /nfs/dbraw/zinc/44/67/24/981446724.db2.gz HZRUZMRGNPMJJM-UHFFFAOYSA-N 0 1 238.193 2.251 20 0 BEADMN CN(C)c1ccc(CCNCc2ccon2)cc1 ZINC001348898222 981474064 /nfs/dbraw/zinc/47/40/64/981474064.db2.gz AQHRAWIZIMNATK-UHFFFAOYSA-N 0 1 245.326 2.073 20 0 BEADMN Cc1cc(F)cc(-c2ncnc3c2CNC3)c1 ZINC001240593984 981490586 /nfs/dbraw/zinc/49/05/86/981490586.db2.gz VRMOIMJOJSVRRF-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CC1(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CCC1 ZINC001349100110 981507266 /nfs/dbraw/zinc/50/72/66/981507266.db2.gz VJHBPEWWVOGZRJ-NSHDSACASA-N 0 1 244.329 2.202 20 0 BEADMN O=C(O[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCN1 ZINC001580803836 981602904 /nfs/dbraw/zinc/60/29/04/981602904.db2.gz KJDGPYWMXSHURS-STQMWFEESA-N 0 1 249.285 2.108 20 0 BEADMN CCn1nccc1-c1cccc2nc[nH]c21 ZINC001240695710 981604381 /nfs/dbraw/zinc/60/43/81/981604381.db2.gz QFBAVWHBJGELRZ-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN CC1(C)CCC[C@@H](C[N@H+]2CC[C@]23CCOC3)O1 ZINC001349646997 981607035 /nfs/dbraw/zinc/60/70/35/981607035.db2.gz QQNSSHIJRILTKO-GXTWGEPZSA-N 0 1 239.359 2.199 20 0 BEADMN CN(CCC(F)(F)F)Cc1cc[nH]c(=O)c1 ZINC001349649287 981613097 /nfs/dbraw/zinc/61/30/97/981613097.db2.gz SSAGQWYXQDZONH-UHFFFAOYSA-N 0 1 234.221 2.171 20 0 BEADMN COc1cccc(C2(NCC3=NOCC3)CC2)c1 ZINC001194240551 981618292 /nfs/dbraw/zinc/61/82/92/981618292.db2.gz LNYNJMDXNIWOFR-UHFFFAOYSA-N 0 1 246.310 2.050 20 0 BEADMN CCn1nccc1-c1cncc2cc[nH]c21 ZINC001240700113 981628622 /nfs/dbraw/zinc/62/86/22/981628622.db2.gz ZRFWUKKCKYEDBS-UHFFFAOYSA-N 0 1 212.256 2.446 20 0 BEADMN c1cc2c(cccc2-c2ncc3c(n2)CNC3)[nH]1 ZINC001240709286 981676203 /nfs/dbraw/zinc/67/62/03/981676203.db2.gz LOAKGIGONOJXIU-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN Cc1ncccc1-c1nccc2[nH]cnc21 ZINC001240717362 981733344 /nfs/dbraw/zinc/73/33/44/981733344.db2.gz GXYFCMVHHUOGQY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ncccc1-c1[nH]ccc2ncnc1-2 ZINC001240717362 981733359 /nfs/dbraw/zinc/73/33/59/981733359.db2.gz GXYFCMVHHUOGQY-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ncccc1-c1cc2[nH]cnc2cn1 ZINC001240719987 981748538 /nfs/dbraw/zinc/74/85/38/981748538.db2.gz WWVQPUHJUYNGDE-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001595628989 981793966 /nfs/dbraw/zinc/79/39/66/981793966.db2.gz UCLQEBFVOXRBAL-MWLCHTKSSA-N 0 1 247.285 2.361 20 0 BEADMN CC(C)OC(=O)[C@@H](NC[Si](C)(C)C)C(C)C ZINC001194541607 981831806 /nfs/dbraw/zinc/83/18/06/981831806.db2.gz JMODCANHXOQYTE-NSHDSACASA-N 0 1 245.439 2.430 20 0 BEADMN CC(C)(C)NC(=O)CN1CC(C)(C)C1(C)C ZINC000079477030 981832210 /nfs/dbraw/zinc/83/22/10/981832210.db2.gz CVRDZMCTKWMREV-UHFFFAOYSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H](CC(=O)OCc1nnc[nH]1)c1ccccc1 ZINC001350037793 981850626 /nfs/dbraw/zinc/85/06/26/981850626.db2.gz KCXRCVPWBFOWFQ-SNVBAGLBSA-N 0 1 245.282 2.042 20 0 BEADMN CC(C)c1ccc(C(=O)OCc2nnc[nH]2)cc1 ZINC001350039605 981851437 /nfs/dbraw/zinc/85/14/37/981851437.db2.gz UUEYAJCIYJCBAU-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CC(C)Cn1cc(-c2cc3nc[nH]c3cn2)cn1 ZINC001240874991 981919637 /nfs/dbraw/zinc/91/96/37/981919637.db2.gz BJLPXAOWUYZZBV-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN FC1(F)CC[C@@H]2CN(Cc3cnoc3)C[C@@H]21 ZINC001205678297 981937868 /nfs/dbraw/zinc/93/78/68/981937868.db2.gz XFYVJEUQBAOAEQ-ZJUUUORDSA-N 0 1 228.242 2.152 20 0 BEADMN CC(C)Cn1cc(-c2cccc3[nH]nnc32)cn1 ZINC001240888534 981940342 /nfs/dbraw/zinc/94/03/42/981940342.db2.gz ZFJSGMJGHZLNHW-UHFFFAOYSA-N 0 1 241.298 2.477 20 0 BEADMN Cc1cc(C)c(C(=O)NCc2n[nH]c(C)c2C)o1 ZINC001350390211 981959035 /nfs/dbraw/zinc/95/90/35/981959035.db2.gz ZQXIZLYRNRPHHH-UHFFFAOYSA-N 0 1 247.298 2.166 20 0 BEADMN C[C@@H]1CC[C@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001350406194 981966979 /nfs/dbraw/zinc/96/69/79/981966979.db2.gz WBUJTLSVGOXQKY-FXPVBKGRSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001350406196 981967581 /nfs/dbraw/zinc/96/75/81/981967581.db2.gz WBUJTLSVGOXQKY-WCABBAIRSA-N 0 1 247.342 2.063 20 0 BEADMN CCCCC[C@H]([NH2+]Cc1nccs1)C(=O)[O-] ZINC001350611521 982022093 /nfs/dbraw/zinc/02/20/93/982022093.db2.gz VCDVLBFTCAUIPV-VIFPVBQESA-N 0 1 242.344 2.266 20 0 BEADMN CCN(C)C(=O)c1ccc(Cl)c(O)c1 ZINC001587753813 982090601 /nfs/dbraw/zinc/09/06/01/982090601.db2.gz ACNMEOYCLUBVLY-UHFFFAOYSA-N 0 1 213.664 2.138 20 0 BEADMN CC[C@H](C)OC(=O)N1CCN(C(C)C)[C@@H](C)C1 ZINC001195119152 982102655 /nfs/dbraw/zinc/10/26/55/982102655.db2.gz ZCVABAMHYLQGGI-RYUDHWBXSA-N 0 1 242.363 2.336 20 0 BEADMN CCOc1cc(F)cc(-c2cnc(CN)nc2)c1 ZINC001241024893 982117786 /nfs/dbraw/zinc/11/77/86/982117786.db2.gz LGUWKLVHKJZZHN-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc(Cl)nc1 ZINC001588137432 982118118 /nfs/dbraw/zinc/11/81/18/982118118.db2.gz WKIVMYVXYUHUJC-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN COc1cc(-c2cc3c(nn2)CNC3)ccc1C ZINC001241034327 982133271 /nfs/dbraw/zinc/13/32/71/982133271.db2.gz KRCMNOPFIZHDBH-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN CCc1nnc(NC(=O)C2CCC3(CC3)CC2)[nH]1 ZINC001351134115 982214525 /nfs/dbraw/zinc/21/45/25/982214525.db2.gz YYYBXWMJDQWKRJ-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)C2CCC3(CC3)CC2)n1 ZINC001351134115 982214540 /nfs/dbraw/zinc/21/45/40/982214540.db2.gz YYYBXWMJDQWKRJ-UHFFFAOYSA-N 0 1 248.330 2.276 20 0 BEADMN Oc1cc(F)c(-c2nccc3n[nH]nc32)c(F)c1 ZINC001241117434 982234039 /nfs/dbraw/zinc/23/40/39/982234039.db2.gz OJEDIKMYXYORNX-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN CC=C(NC=[NH2+])c1c(F)cc([O-])cc1F ZINC001241118218 982234490 /nfs/dbraw/zinc/23/44/90/982234490.db2.gz OEGCJCOMQUYLBT-MBXJOHMKSA-N 0 1 212.199 2.228 20 0 BEADMN Cc1cn(C)nc1CN1CCCC(C)(C)C1 ZINC001351245234 982245464 /nfs/dbraw/zinc/24/54/64/982245464.db2.gz DLEXNOSOGPDFLU-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ncccn1 ZINC001351321453 982277712 /nfs/dbraw/zinc/27/77/12/982277712.db2.gz XZOIHLBLAWXOHC-WDEREUQCSA-N 0 1 249.358 2.473 20 0 BEADMN NCc1ncc(-c2c(F)cc(F)cc2F)cn1 ZINC001241171927 982321699 /nfs/dbraw/zinc/32/16/99/982321699.db2.gz KCPWOEZYMJONPW-UHFFFAOYSA-N 0 1 239.200 2.020 20 0 BEADMN C[C@@H]1NC(=O)[C@H](C)N(CCCC2CCC2)[C@H]1C ZINC001195687311 982335010 /nfs/dbraw/zinc/33/50/10/982335010.db2.gz VKKFGASQLHNRJX-SRVKXCTJSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC001588596814 982336176 /nfs/dbraw/zinc/33/61/76/982336176.db2.gz GCSFMXYOIYCJHJ-GWCFXTLKSA-N 0 1 237.274 2.030 20 0 BEADMN CCc1ccc2c(c1)CCN2C(=O)[C@@H](C)N(C)C ZINC001351920825 982406360 /nfs/dbraw/zinc/40/63/60/982406360.db2.gz WJLRYIKSASYHQO-LLVKDONJSA-N 0 1 246.354 2.088 20 0 BEADMN CN1CC=C(c2cnc(-c3ccco3)cn2)CC1 ZINC001241307448 982441500 /nfs/dbraw/zinc/44/15/00/982441500.db2.gz BJMAUGZKVBAVDG-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CN1CC=C(c2ncnc3ccsc32)CC1 ZINC001241308550 982452172 /nfs/dbraw/zinc/45/21/72/982452172.db2.gz UESLWMYHRCCNLH-UHFFFAOYSA-N 0 1 231.324 2.410 20 0 BEADMN C[N@@H+]1CC=C(c2cccc3c2OCCO3)CC1 ZINC001241321834 982480228 /nfs/dbraw/zinc/48/02/28/982480228.db2.gz FLGSPOXYWFONOM-UHFFFAOYSA-N 0 1 231.295 2.177 20 0 BEADMN COc1ncc2cc[nH]c2c1C1=CCN(C)CC1 ZINC001241327523 982487535 /nfs/dbraw/zinc/48/75/35/982487535.db2.gz NQVNAGZGFVTXET-UHFFFAOYSA-N 0 1 243.310 2.290 20 0 BEADMN CCc1cncc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001241360811 982519144 /nfs/dbraw/zinc/51/91/44/982519144.db2.gz YMAMORVXPJEXDU-UHFFFAOYSA-N 0 1 243.245 2.068 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])CC1CC2(CCC2)C1 ZINC001588918153 982524731 /nfs/dbraw/zinc/52/47/31/982524731.db2.gz FAGNIGTWIGSZBN-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN COc1ncc(-c2nccc3[nH]cnc32)s1 ZINC001241410466 982557063 /nfs/dbraw/zinc/55/70/63/982557063.db2.gz QXBBBTJHLYOHIS-UHFFFAOYSA-N 0 1 232.268 2.090 20 0 BEADMN COc1ncc(-c2cc3[nH]cnc3nc2C)s1 ZINC001241414390 982561732 /nfs/dbraw/zinc/56/17/32/982561732.db2.gz YXYBBQRQZRTGQW-UHFFFAOYSA-N 0 1 246.295 2.398 20 0 BEADMN c1ncn2c1cccc2-c1cnc2n[nH]cc2c1 ZINC001241425818 982577619 /nfs/dbraw/zinc/57/76/19/982577619.db2.gz WAXYTLDPAUYBTF-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CC(C)C(=O)Nc1ccc(-n2cncc2N)cc1 ZINC001197666044 982582762 /nfs/dbraw/zinc/58/27/62/982582762.db2.gz LSXIMLYZLQVITJ-UHFFFAOYSA-N 0 1 244.298 2.049 20 0 BEADMN Cc1cnccc1CN1CCc2cnccc2C1 ZINC001205827809 982659732 /nfs/dbraw/zinc/65/97/32/982659732.db2.gz CVRNZTAKOPGXTN-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CCC[C@H](C)NC(=O)c1ccc2n1CCN[C@@H]2C ZINC001353102703 982700220 /nfs/dbraw/zinc/70/02/20/982700220.db2.gz PGNOJEMNVHUPBJ-WDEREUQCSA-N 0 1 249.358 2.071 20 0 BEADMN C[C@@H]1CCc2c(C(=O)N[C@H]3CC34CCC4)[nH]nc21 ZINC001198464839 982731835 /nfs/dbraw/zinc/73/18/35/982731835.db2.gz WEOXFNYVZSQWGB-SCZZXKLOSA-N 0 1 245.326 2.132 20 0 BEADMN Nc1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241542682 982739126 /nfs/dbraw/zinc/73/91/26/982739126.db2.gz SXOPCPHCFQWLEA-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN Nc1ccc(-c2ccc3nn[nH]c3c2)cc1 ZINC001241542682 982739136 /nfs/dbraw/zinc/73/91/36/982739136.db2.gz SXOPCPHCFQWLEA-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC[C@H](C)[N@@H+](CCC(=O)CC(C)C)CC(=O)[O-] ZINC001594983904 982790947 /nfs/dbraw/zinc/79/09/47/982790947.db2.gz SXUXACDNNZTATP-NSHDSACASA-N 0 1 243.347 2.177 20 0 BEADMN CN1CCC=C(c2ncnc3c2CCCC3)C1 ZINC001241564775 982802167 /nfs/dbraw/zinc/80/21/67/982802167.db2.gz ANIUQFCHJOXURC-UHFFFAOYSA-N 0 1 229.327 2.074 20 0 BEADMN CN1CCC=C(c2ncnc3cccc(F)c32)C1 ZINC001241564923 982803942 /nfs/dbraw/zinc/80/39/42/982803942.db2.gz CXGKCPSLHVUHIP-UHFFFAOYSA-N 0 1 243.285 2.488 20 0 BEADMN CN1CCC=C(c2ccc(C3CC3)nn2)C1 ZINC001241565009 982805140 /nfs/dbraw/zinc/80/51/40/982805140.db2.gz FJOFLSZWTIANFX-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CN1CCC=C(c2cc(C(F)(F)F)cnn2)C1 ZINC001241565216 982806987 /nfs/dbraw/zinc/80/69/87/982806987.db2.gz HSGUNZJBYWTHRQ-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CN1CCC=C(c2ccnc(C(F)(F)F)n2)C1 ZINC001241565996 982809997 /nfs/dbraw/zinc/80/99/97/982809997.db2.gz PUWSYPGXHJAJDA-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN CCOc1cccnc1C1=CCCN(C)C1 ZINC001241568155 982811572 /nfs/dbraw/zinc/81/15/72/982811572.db2.gz CAHARVARWQVGAU-UHFFFAOYSA-N 0 1 218.300 2.199 20 0 BEADMN CN1CCC=C(c2ncnc3c2CCCCC3)C1 ZINC001241568514 982813116 /nfs/dbraw/zinc/81/31/16/982813116.db2.gz FEHAVUSYPNXVOJ-UHFFFAOYSA-N 0 1 243.354 2.464 20 0 BEADMN CCc1cc(C)nc(C2=CCCN(C)C2)n1 ZINC001241568915 982817565 /nfs/dbraw/zinc/81/75/65/982817565.db2.gz MBOGGTSHMFXPLC-UHFFFAOYSA-N 0 1 217.316 2.066 20 0 BEADMN CCCc1cc(C2=CCCN(C)C2)ncn1 ZINC001241568773 982817607 /nfs/dbraw/zinc/81/76/07/982817607.db2.gz XHOOJOLOQZCKIS-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN COC(=O)c1cc(F)ccc1C1=CCCN(C)C1 ZINC001241570241 982820297 /nfs/dbraw/zinc/82/02/97/982820297.db2.gz YWAHYXWNZYKBTL-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN CN1CCC=C(c2cnc(C3CC3)nc2)C1 ZINC001241569808 982820694 /nfs/dbraw/zinc/82/06/94/982820694.db2.gz QVHCOKNSZCGTHZ-UHFFFAOYSA-N 0 1 215.300 2.073 20 0 BEADMN CN1CCC=C(c2cnc3c(c2)CN=N3)C1 ZINC001241572141 982826421 /nfs/dbraw/zinc/82/64/21/982826421.db2.gz RHDZSHBETWWEQP-UHFFFAOYSA-N 0 1 214.272 2.398 20 0 BEADMN CCOc1ncc(C2=CCCN(C)C2)cc1OC ZINC001241572261 982826668 /nfs/dbraw/zinc/82/66/68/982826668.db2.gz QZTVVPGOJOXGPA-UHFFFAOYSA-N 0 1 248.326 2.208 20 0 BEADMN OC1(CN[C@H]2C[C@@]2(F)c2ccccc2)CCC1 ZINC001353309285 982831846 /nfs/dbraw/zinc/83/18/46/982831846.db2.gz DRWLGBXRAKGIAP-GXTWGEPZSA-N 0 1 235.302 2.128 20 0 BEADMN CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)[O-] ZINC001589586196 982842493 /nfs/dbraw/zinc/84/24/93/982842493.db2.gz OZRLVMSGOHMBSZ-GFCCVEGCSA-N 0 1 237.299 2.163 20 0 BEADMN CSc1ncc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241629100 982866594 /nfs/dbraw/zinc/86/65/94/982866594.db2.gz JIOLSOCIWPNMJY-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN CSc1ncc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241629100 982866597 /nfs/dbraw/zinc/86/65/97/982866597.db2.gz JIOLSOCIWPNMJY-UHFFFAOYSA-N 0 1 243.295 2.137 20 0 BEADMN Cc1[nH]nc2cc(-c3ccn(C)n3)ccc12 ZINC001241639214 982876255 /nfs/dbraw/zinc/87/62/55/982876255.db2.gz DZIHXACGKDBFBI-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN CCc1ncc(CN[C@H](C)c2cccnc2)cn1 ZINC001199067652 982882671 /nfs/dbraw/zinc/88/26/71/982882671.db2.gz FSZTZNHEACBRQU-LLVKDONJSA-N 0 1 242.326 2.285 20 0 BEADMN CCC[N@@H+](CCc1ccc(F)cc1)CC(=O)[O-] ZINC001595883823 982903468 /nfs/dbraw/zinc/90/34/68/982903468.db2.gz AHIRWYIAKPIUHT-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN Cc1ccc(CNCc2cnc[nH]2)c(Cl)n1 ZINC001353606004 982921252 /nfs/dbraw/zinc/92/12/52/982921252.db2.gz ODYXBGGQZUVOLE-UHFFFAOYSA-N 0 1 236.706 2.056 20 0 BEADMN c1cc2ccc(-c3cc4c(nn3)CNC4)cc2cn1 ZINC001241674927 982923659 /nfs/dbraw/zinc/92/36/59/982923659.db2.gz ZBWWNBVGVVOJRQ-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Fc1cncnc1-c1ccc2[nH]cnc2c1 ZINC001241679858 982929949 /nfs/dbraw/zinc/92/99/49/982929949.db2.gz BBHHUWRTTLBNEI-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN COc1nc(-c2ccc3[nH]cnc3c2)ncc1F ZINC001241686309 982933594 /nfs/dbraw/zinc/93/35/94/982933594.db2.gz ZJALZBZOWVGJJB-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN COc1cncc(-c2ccc3[nH]cnc3c2)n1 ZINC001241681557 982933865 /nfs/dbraw/zinc/93/38/65/982933865.db2.gz WVLHSTGCTTUHPY-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CNc1ccnc(-c2ccc3[nH]cnc3c2)n1 ZINC001241685243 982934644 /nfs/dbraw/zinc/93/46/44/982934644.db2.gz FWQUUPGNPDJOMF-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN COCc1cc(-c2ccc3[nH]cnc3c2)ncn1 ZINC001241686175 982935053 /nfs/dbraw/zinc/93/50/53/982935053.db2.gz VRQDDJMAWITQEL-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COc1cc(-c2ccc3[nH]cnc3c2)nc(C)n1 ZINC001241685479 982937262 /nfs/dbraw/zinc/93/72/62/982937262.db2.gz MKECZAFFYIZZHE-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN c1cn(-c2ccc(NCc3cnc[nH]3)cc2)cn1 ZINC001199531293 982944931 /nfs/dbraw/zinc/94/49/31/982944931.db2.gz RNIKTKSQBREULQ-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN O=C1NCc2c1cccc2-c1ccc2nc[nH]c2c1 ZINC001241691311 982946118 /nfs/dbraw/zinc/94/61/18/982946118.db2.gz LNQRXMCVNQJMHJ-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN CCOc1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241703908 982962986 /nfs/dbraw/zinc/96/29/86/982962986.db2.gz GWGXNIPDPHVZTC-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241703908 982962994 /nfs/dbraw/zinc/96/29/94/982962994.db2.gz GWGXNIPDPHVZTC-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN C[C@H](CNCc1nn(C)cc1Cl)C1CC1 ZINC001199732028 982989922 /nfs/dbraw/zinc/98/99/22/982989922.db2.gz BVPCAVDUIKVURT-MRVPVSSYSA-N 0 1 227.739 2.209 20 0 BEADMN CCc1nc(C)c(CN2CCC[C@H](C(C)=O)C2)[nH]1 ZINC001203246318 983010919 /nfs/dbraw/zinc/01/09/19/983010919.db2.gz FJMIJHXUVQJXDL-LBPRGKRZSA-N 0 1 249.358 2.082 20 0 BEADMN OCc1cc(-c2cc3[nH]cnc3cn2)ccc1F ZINC001241780295 983044700 /nfs/dbraw/zinc/04/47/00/983044700.db2.gz UXFXMFCCFIQBMO-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN O=C([O-])c1cncc(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001241797843 983052723 /nfs/dbraw/zinc/05/27/23/983052723.db2.gz NRIBBRBIXPRNHS-UHFFFAOYSA-N 0 1 239.234 2.323 20 0 BEADMN CC(C)[C@@H]1COCCN1C[C@@H](O)c1ccccc1 ZINC001251991225 983065126 /nfs/dbraw/zinc/06/51/26/983065126.db2.gz LBWXFQJEUKJNHS-LSDHHAIUSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1cnc(-c2cnn(C3CC3)c2)cc1N ZINC001241905519 983117305 /nfs/dbraw/zinc/11/73/05/983117305.db2.gz ZJVGFMWJEXVRKM-UHFFFAOYSA-N 0 1 214.272 2.171 20 0 BEADMN Cc1ncc(CNc2ncc(C)cc2N)s1 ZINC000085425420 983138731 /nfs/dbraw/zinc/13/87/31/983138731.db2.gz CMQGZZQCJBEKEY-UHFFFAOYSA-N 0 1 234.328 2.349 20 0 BEADMN COc1cc(C)cc(-c2ccc3nn[nH]c3c2)n1 ZINC001241937662 983145570 /nfs/dbraw/zinc/14/55/70/983145570.db2.gz ALOYAXUREDRPSS-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(C)cc(-c2ccc3[nH]nnc3c2)n1 ZINC001241937662 983145587 /nfs/dbraw/zinc/14/55/87/983145587.db2.gz ALOYAXUREDRPSS-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CNc1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241941231 983156106 /nfs/dbraw/zinc/15/61/06/983156106.db2.gz UVWKVOXWSDBLJW-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1ccc(-c2ccc3[nH]nnc3c2)cn1 ZINC001241941231 983156098 /nfs/dbraw/zinc/15/60/98/983156098.db2.gz UVWKVOXWSDBLJW-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN COc1ccc(-c2ccc3[nH]nnc3c2)c(N)c1 ZINC001241941949 983158739 /nfs/dbraw/zinc/15/87/39/983158739.db2.gz GKHJSBQXFRLHSG-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN COc1ccc(-c2ccc3nn[nH]c3c2)c(N)c1 ZINC001241941949 983158744 /nfs/dbraw/zinc/15/87/44/983158744.db2.gz GKHJSBQXFRLHSG-UHFFFAOYSA-N 0 1 240.266 2.216 20 0 BEADMN CC[C@H]1CCC[C@H](Nc2nccnc2CN)C1 ZINC001354120226 983162853 /nfs/dbraw/zinc/16/28/53/983162853.db2.gz PQZGTXWIJDYYQU-QWRGUYRKSA-N 0 1 234.347 2.316 20 0 BEADMN COc1cc(-c2ccc3[nH]nnc3c2)cc(C)n1 ZINC001241943256 983163331 /nfs/dbraw/zinc/16/33/31/983163331.db2.gz DHFACWDXCLOAPQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN COc1cc(-c2ccc3nn[nH]c3c2)cc(C)n1 ZINC001241943256 983163336 /nfs/dbraw/zinc/16/33/36/983163336.db2.gz DHFACWDXCLOAPQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C=Cc1cccc(-c2cc3c(nn2)CNC3)c1 ZINC001241945717 983167451 /nfs/dbraw/zinc/16/74/51/983167451.db2.gz TVZJFSQIOMZBBH-UHFFFAOYSA-N 0 1 223.279 2.390 20 0 BEADMN CC(C)CC[C@@H]1CCCN1c1nccnc1CN ZINC001354131603 983168772 /nfs/dbraw/zinc/16/87/72/983168772.db2.gz ITFKMYHGCZQKGF-LBPRGKRZSA-N 0 1 248.374 2.340 20 0 BEADMN CC(C)(C)c1ccnc(SCc2nnc[nH]2)n1 ZINC001354158982 983177517 /nfs/dbraw/zinc/17/75/17/983177517.db2.gz BKMJPYMCQUGCDF-UHFFFAOYSA-N 0 1 249.343 2.185 20 0 BEADMN C[C@H](C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1ccccc1 ZINC001592624545 983182900 /nfs/dbraw/zinc/18/29/00/983182900.db2.gz KHTWLGDWAZRVGN-ZZVYKPCYSA-N 0 1 245.322 2.053 20 0 BEADMN CC(=O)c1nn(C)cc1N=C1CCSCC1 ZINC001201332954 983189820 /nfs/dbraw/zinc/18/98/20/983189820.db2.gz FWQWEXOEPNSXPF-UHFFFAOYSA-N 0 1 237.328 2.055 20 0 BEADMN c1nn2c(c1N=C1CCSCC1)OCCC2 ZINC001201334040 983190024 /nfs/dbraw/zinc/19/00/24/983190024.db2.gz NOLXCEHCQYRDSH-UHFFFAOYSA-N 0 1 237.328 2.098 20 0 BEADMN Nc1ccnc2cc(-c3ncc[nH]3)ccc12 ZINC001242018991 983224577 /nfs/dbraw/zinc/22/45/77/983224577.db2.gz ULQQLIABARWNRZ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CCO[C@H](CO)C1 ZINC001201485469 983254041 /nfs/dbraw/zinc/25/40/41/983254041.db2.gz HLOGIBSDXATCPU-KGLIPLIRSA-N 0 1 241.375 2.062 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CC=CCC2)n1 ZINC001200629877 983280359 /nfs/dbraw/zinc/28/03/59/983280359.db2.gz BYMITJMPYMKCFQ-VIFPVBQESA-N 0 1 225.723 2.272 20 0 BEADMN CC(C)Oc1cncc(Nc2nccn2C)c1 ZINC001201534327 983290141 /nfs/dbraw/zinc/29/01/41/983290141.db2.gz GIIFENNIEDRILM-UHFFFAOYSA-N 0 1 232.287 2.346 20 0 BEADMN Cc1nnc(Nc2cncc(OC(C)C)c2)o1 ZINC001201534348 983291444 /nfs/dbraw/zinc/29/14/44/983291444.db2.gz GPQFRTZZJNXDKG-UHFFFAOYSA-N 0 1 234.259 2.304 20 0 BEADMN CNc1ccc(-c2ccc(CN(C)C)cn2)cn1 ZINC001242067677 983297376 /nfs/dbraw/zinc/29/73/76/983297376.db2.gz LFMJDMMYCCDNFG-UHFFFAOYSA-N 0 1 242.326 2.247 20 0 BEADMN c1cc2cnc(C3=CCOCC3)cc2[nH]1 ZINC001242072366 983308856 /nfs/dbraw/zinc/30/88/56/983308856.db2.gz HKSHCBLOHAOGGJ-UHFFFAOYSA-N 0 1 200.241 2.367 20 0 BEADMN CCCC[C@@H](O)CNCc1nc2ccccc2o1 ZINC001252078603 983322207 /nfs/dbraw/zinc/32/22/07/983322207.db2.gz VONUAVLEWVPYLU-LLVKDONJSA-N 0 1 248.326 2.469 20 0 BEADMN Cc1nc2c[nH]cc(-c3cnc(N)cc3C)c-2n1 ZINC001242095668 983338256 /nfs/dbraw/zinc/33/82/56/983338256.db2.gz LHSKUBDZXUUOKK-UHFFFAOYSA-N 0 1 239.282 2.219 20 0 BEADMN Cc1noc(C)c1-c1ccc(CN(C)C)cn1 ZINC001242105665 983347500 /nfs/dbraw/zinc/34/75/00/983347500.db2.gz XJRZTHMWYYEBER-UHFFFAOYSA-N 0 1 231.299 2.415 20 0 BEADMN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1CCC(C)C ZINC001201630983 983359827 /nfs/dbraw/zinc/35/98/27/983359827.db2.gz KGSBWJDRTTXXLF-GRYCIOLGSA-N 0 1 225.332 2.058 20 0 BEADMN CCCN1CCN(c2noc3ccccc32)CC1 ZINC001201634419 983364836 /nfs/dbraw/zinc/36/48/36/983364836.db2.gz ZYTKFTCGPNDZDM-UHFFFAOYSA-N 0 1 245.326 2.360 20 0 BEADMN CNc1ccccc1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001593803783 983370655 /nfs/dbraw/zinc/37/06/55/983370655.db2.gz WWLGWEBJBPXKIT-GFCCVEGCSA-N 0 1 248.326 2.025 20 0 BEADMN CC(C)(C)c1nc(Nc2cncc(O)c2)no1 ZINC001201628659 983386255 /nfs/dbraw/zinc/38/62/55/983386255.db2.gz FAHQGWRDABRZIZ-UHFFFAOYSA-N 0 1 234.259 2.211 20 0 BEADMN CC[C@@H](C(=O)Nc1ncc(C)o1)N(CC)CC ZINC001355106475 983414381 /nfs/dbraw/zinc/41/43/81/983414381.db2.gz SZOIDVSRBQCOPK-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN CC[C@H](C(=O)Nc1ncc(C)o1)N(CC)CC ZINC001355106476 983415004 /nfs/dbraw/zinc/41/50/04/983415004.db2.gz SZOIDVSRBQCOPK-SNVBAGLBSA-N 0 1 239.319 2.042 20 0 BEADMN Oc1cc(F)ccc1-c1ccc2nccn2n1 ZINC001242217897 983416185 /nfs/dbraw/zinc/41/61/85/983416185.db2.gz LZYUPAJTZOWXQD-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN Cc1noc2ncnc(-c3ccc(F)cc3O)c12 ZINC001242217759 983416566 /nfs/dbraw/zinc/41/65/66/983416566.db2.gz UPQKYXDFGCQQNN-UHFFFAOYSA-N 0 1 245.213 2.438 20 0 BEADMN CCCCCN1CC[C@H]2C[C@]21C(=O)OCC ZINC001201726100 983433618 /nfs/dbraw/zinc/43/36/18/983433618.db2.gz COZNKWUXVLJFFK-WCQYABFASA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cc(C[C@H](C)Nc2nccs2)[nH]n1 ZINC001355252354 983452606 /nfs/dbraw/zinc/45/26/06/983452606.db2.gz KTLMTCYSVLWVDR-ZETCQYMHSA-N 0 1 222.317 2.218 20 0 BEADMN CCCCCCN(CC)[C@@H](C)C(=O)OC ZINC001201761398 983468224 /nfs/dbraw/zinc/46/82/24/983468224.db2.gz CJLLVSCJOMXZHE-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN c1c[nH]c(CN2CCC23CCCCC3)n1 ZINC001203976707 983486489 /nfs/dbraw/zinc/48/64/89/983486489.db2.gz DXDDVHCZEBZWQY-UHFFFAOYSA-N 0 1 205.305 2.318 20 0 BEADMN Cc1c(F)c(F)ccc1-c1ncc2c(n1)CNC2 ZINC001242304489 983529515 /nfs/dbraw/zinc/52/95/15/983529515.db2.gz HXDSNDBDIRKAJG-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN CC(C)(C)N1CCN(CC2CCCC2)CC1=O ZINC001202167344 983580361 /nfs/dbraw/zinc/58/03/61/983580361.db2.gz VVEMWCLIOLQCQS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Oc1c(F)cccc1-c1nccc2nc[nH]c21 ZINC001242347833 983608188 /nfs/dbraw/zinc/60/81/88/983608188.db2.gz CIVHIQIWSRQHJI-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Nc1ccc(-c2cccc(F)c2O)nc1 ZINC001242348056 983609069 /nfs/dbraw/zinc/60/90/69/983609069.db2.gz IRPKMINNGKZBHO-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN COC(=O)c1ccc(-c2cccc(F)c2O)nc1 ZINC001242348653 983609649 /nfs/dbraw/zinc/60/96/49/983609649.db2.gz WSECSWWAUHERJJ-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1C[C@@H]1c1ccccc1 ZINC001596224826 983615516 /nfs/dbraw/zinc/61/55/16/983615516.db2.gz BZEGZFBVYSYFEC-QWHCGFSZSA-N 0 1 233.311 2.197 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC001596224825 983615660 /nfs/dbraw/zinc/61/56/60/983615660.db2.gz BZEGZFBVYSYFEC-OLZOCXBDSA-N 0 1 233.311 2.197 20 0 BEADMN FC(F)(F)CCN1CC[C@@H]2CCO[C@H]2C1 ZINC001202306748 983615921 /nfs/dbraw/zinc/61/59/21/983615921.db2.gz ADWDUMXGGLPNTA-BDAKNGLRSA-N 0 1 223.238 2.050 20 0 BEADMN COc1cc(-c2cccc(F)c2O)nc(C)n1 ZINC001242349938 983616481 /nfs/dbraw/zinc/61/64/81/983616481.db2.gz ZPMZYPSYAOPZGQ-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN Cc1cc(C(N)=O)cc(-c2cccc(F)c2O)n1 ZINC001242350351 983618912 /nfs/dbraw/zinc/61/89/12/983618912.db2.gz CJFDWNQMBKFXMK-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN Oc1c(F)cccc1-c1cc2nccc-2[n-][nH+]1 ZINC001242349971 983619324 /nfs/dbraw/zinc/61/93/24/983619324.db2.gz ASMDHEOWJCCDOP-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cn1ccc2nc(-c3cccc(F)c3O)cnc21 ZINC001242351130 983622879 /nfs/dbraw/zinc/62/28/79/983622879.db2.gz DXPIVJPLJOZFRQ-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN FC(F)(F)CCCN1CC2(C1)CCOC2 ZINC001202367905 983640058 /nfs/dbraw/zinc/64/00/58/983640058.db2.gz GNTKGEJDVRBNOU-UHFFFAOYSA-N 0 1 223.238 2.051 20 0 BEADMN CC/C=C\CCOC(=O)c1[nH]cnc1C ZINC001357178539 983671598 /nfs/dbraw/zinc/67/15/98/983671598.db2.gz GHHLJHOZLYDEJO-PLNGDYQASA-N 0 1 208.261 2.231 20 0 BEADMN Cc1ncc(-c2ccc3cncn3c2)cc1N ZINC001242410121 983716851 /nfs/dbraw/zinc/71/68/51/983716851.db2.gz PUSSCROENUQCPW-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN CC[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CC1 ZINC001596295842 983718587 /nfs/dbraw/zinc/71/85/87/983718587.db2.gz RKERRIXFXGLIDA-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[C@H](C)ON=C(N)CN1CCCC[C@@H]1C ZINC000853666295 983767475 /nfs/dbraw/zinc/76/74/75/983767475.db2.gz KPAVCVMRZKJCTI-RYUDHWBXSA-N 0 1 241.379 2.404 20 0 BEADMN Cc1cc(-c2ccn(C)n2)cc2nc[nH]c21 ZINC001242459301 983771950 /nfs/dbraw/zinc/77/19/50/983771950.db2.gz UPKZOVAQJPGCPW-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COCC1CN(Cc2c[nH]c3c2cccc3F)C1 ZINC001137051576 983796277 /nfs/dbraw/zinc/79/62/77/983796277.db2.gz WDXBSDDKDLNOPQ-UHFFFAOYSA-N 0 1 248.301 2.385 20 0 BEADMN CC[C@@H](F)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001358074508 983823706 /nfs/dbraw/zinc/82/37/06/983823706.db2.gz QMMXCXQRVJTOCN-SECBINFHSA-N 0 1 248.261 2.158 20 0 BEADMN CCc1ncccc1-c1nc2nc[nH]c2c(C)n1 ZINC001242519372 983838812 /nfs/dbraw/zinc/83/88/12/983838812.db2.gz JOAUKSSCWHWXHL-UHFFFAOYSA-N 0 1 239.282 2.237 20 0 BEADMN CN(C)c1cncc(-c2nccc3[nH]cnc32)c1 ZINC001242523308 983844152 /nfs/dbraw/zinc/84/41/52/983844152.db2.gz KWUARTDIIAMUEP-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1cncc(-c2ccc3cncn3c2)c1 ZINC001242526687 983850545 /nfs/dbraw/zinc/85/05/45/983850545.db2.gz NVMGWAABWBFSRH-UHFFFAOYSA-N 0 1 238.294 2.462 20 0 BEADMN CC(C)NC(=O)Nc1cnccc1N1CCCC1 ZINC001202518644 983853047 /nfs/dbraw/zinc/85/30/47/983853047.db2.gz PAGZPRLJRUZSAU-UHFFFAOYSA-N 0 1 248.330 2.212 20 0 BEADMN CCC[C@H](O)CNc1nc(C)ccc1C ZINC001252775016 983879363 /nfs/dbraw/zinc/87/93/63/983879363.db2.gz CWHPLUVDUJBWTM-NSHDSACASA-N 0 1 208.305 2.271 20 0 BEADMN C[C@H]1CCN1Cc1ccc(N2CCCC2)o1 ZINC001137061318 983893658 /nfs/dbraw/zinc/89/36/58/983893658.db2.gz QIHKRKYBFOZVDE-NSHDSACASA-N 0 1 220.316 2.474 20 0 BEADMN CCC[C@H](O)CNCc1c(F)cccc1OC ZINC001252799128 983895673 /nfs/dbraw/zinc/89/56/73/983895673.db2.gz NEPMPTNKBAKTDB-JTQLQIEISA-N 0 1 241.306 2.085 20 0 BEADMN CC/C=C/CCN1CC(=O)NC[C@H]1C(C)(C)C ZINC001473828268 983896885 /nfs/dbraw/zinc/89/68/85/983896885.db2.gz XYQJAFDAUWLBTF-SYTKJHMZSA-N 0 1 238.375 2.189 20 0 BEADMN CCOC[C@@]12CCC[C@@H]1CN(Cc1cc[nH]n1)C2 ZINC001137126570 983961288 /nfs/dbraw/zinc/96/12/88/983961288.db2.gz PWIYZKWCCBCLKW-OCCSQVGLSA-N 0 1 249.358 2.048 20 0 BEADMN Nc1ccnc(-c2cncc(N3CCCC3)c2)c1 ZINC001242617140 984000593 /nfs/dbraw/zinc/00/05/93/984000593.db2.gz FVETUUWHBPGBCQ-UHFFFAOYSA-N 0 1 240.310 2.326 20 0 BEADMN CC(C)C(=O)N(C)CCCN(C)C/C=C\Cl ZINC001570190114 984023440 /nfs/dbraw/zinc/02/34/40/984023440.db2.gz AAJWXIIWCVDSKL-ALCCZGGFSA-N 0 1 246.782 2.175 20 0 BEADMN CCC[C@H](C)[N@H+]1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC001573727179 984041026 /nfs/dbraw/zinc/04/10/26/984041026.db2.gz BLZJFOLWXJNQNJ-GWCFXTLKSA-N 0 1 243.322 2.454 20 0 BEADMN COc1cc(-c2cccc3[nH]nnc32)cc(C)n1 ZINC001242749015 984107849 /nfs/dbraw/zinc/10/78/49/984107849.db2.gz VJBBFTCLRMVRLS-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCc1[nH]nc2ncc(-c3cc(N)ccn3)cc12 ZINC001242821174 984183305 /nfs/dbraw/zinc/18/33/05/984183305.db2.gz FCTNEKXVUKDXDL-UHFFFAOYSA-N 0 1 239.282 2.165 20 0 BEADMN CCCCC[C@@H](O)CNCc1csc(C)n1 ZINC001253517994 984185006 /nfs/dbraw/zinc/18/50/06/984185006.db2.gz IQXBCUNNNUBCEH-GFCCVEGCSA-N 0 1 242.388 2.482 20 0 BEADMN CC1(C)CO[C@H](CNCc2nccs2)C1 ZINC000717398970 984188870 /nfs/dbraw/zinc/18/88/70/984188870.db2.gz WEHKADHRZNXJGG-VIFPVBQESA-N 0 1 226.345 2.048 20 0 BEADMN CC[C@@H](NC(=O)[C@@H](N)c1ccccc1C)C1CC1 ZINC001577153924 984190155 /nfs/dbraw/zinc/19/01/55/984190155.db2.gz UNRJIWQJAVALSJ-KGLIPLIRSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@H](NC(=O)[C@@H](N)c1ccccc1C)C1CC1 ZINC001577153923 984190357 /nfs/dbraw/zinc/19/03/57/984190357.db2.gz UNRJIWQJAVALSJ-KBPBESRZSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1nc2cncc(-c3nccs3)c2[nH]1 ZINC001242898011 984259801 /nfs/dbraw/zinc/25/98/01/984259801.db2.gz PCWOPHHHLOLSNK-UHFFFAOYSA-N 0 1 216.269 2.390 20 0 BEADMN Cc1c(F)nccc1Nc1cncn1C ZINC001212840088 984273813 /nfs/dbraw/zinc/27/38/13/984273813.db2.gz VQGFYUIMZCDBBO-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN Cc1cnc(F)cc1Nc1ccnc(CO)c1 ZINC001212847323 984281846 /nfs/dbraw/zinc/28/18/46/984281846.db2.gz HOSOTXCWKAAZAE-UHFFFAOYSA-N 0 1 233.246 2.160 20 0 BEADMN Oc1cc(-c2cccc3[nH]nnc32)ccc1F ZINC001243052446 984413487 /nfs/dbraw/zinc/41/34/87/984413487.db2.gz WBFVLNKJNJUZQG-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1c2[nH]cnc2ccc1-c1cncn1C ZINC001243068560 984490899 /nfs/dbraw/zinc/49/08/99/984490899.db2.gz DPXOZTXPZJJQBM-UHFFFAOYSA-N 0 1 212.256 2.272 20 0 BEADMN COc1cnccc1-c1cncc2nc[nH]c21 ZINC001243072374 984505395 /nfs/dbraw/zinc/50/53/95/984505395.db2.gz HUXKLHKXAGVWEO-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN COc1cnccc1-c1nccc2c1CCN2 ZINC001243073481 984507687 /nfs/dbraw/zinc/50/76/87/984507687.db2.gz MQLYNCIVXVROLE-UHFFFAOYSA-N 0 1 227.267 2.120 20 0 BEADMN COc1cccc(-c2cc3nc[nH]c3cn2)n1 ZINC001243095998 984525078 /nfs/dbraw/zinc/52/50/78/984525078.db2.gz BTMTWGLREQKHMQ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ccc(F)cc1CN1CC2(CCN2C)C1 ZINC001275308839 984533944 /nfs/dbraw/zinc/53/39/44/984533944.db2.gz VPVVRTFNIVGWCJ-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN NCc1ncc(-c2cc3ccccc3[nH]2)cn1 ZINC001243107426 984551063 /nfs/dbraw/zinc/55/10/63/984551063.db2.gz IFCKIMFSGQRUFH-UHFFFAOYSA-N 0 1 224.267 2.084 20 0 BEADMN C=C/C=C\CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001445356348 984590085 /nfs/dbraw/zinc/59/00/85/984590085.db2.gz XZJWCPPIOOXTPZ-ARJAWSKDSA-N 0 1 245.326 2.248 20 0 BEADMN O=C(N[C@H]1C=CCCC1)c1cccc2nc[nH]c21 ZINC001445706461 984608328 /nfs/dbraw/zinc/60/83/28/984608328.db2.gz DUIIBMUHDRLLNO-JTQLQIEISA-N 0 1 241.294 2.401 20 0 BEADMN COCOc1ccccc1-c1cc(N)ccn1 ZINC001243181420 984639701 /nfs/dbraw/zinc/63/97/01/984639701.db2.gz MEKHMRRCGGPDMI-UHFFFAOYSA-N 0 1 230.267 2.314 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2ccc(O)c(C)c2)[nH]1 ZINC001446459614 984650430 /nfs/dbraw/zinc/65/04/30/984650430.db2.gz LCWQAJSVGLLMLL-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1cc(C(=O)[O-])ccc1-c1cc[nH+]c(N)c1 ZINC001243203950 984703646 /nfs/dbraw/zinc/70/36/46/984703646.db2.gz UCKCFMYIWCMDMX-UHFFFAOYSA-N 0 1 228.251 2.337 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001256734007 984801886 /nfs/dbraw/zinc/80/18/86/984801886.db2.gz VFJPXHHNVZZLFR-RWMBFGLXSA-N 0 1 234.343 2.122 20 0 BEADMN C[C@H](Cc1ccncc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001256734008 984802754 /nfs/dbraw/zinc/80/27/54/984802754.db2.gz VFJPXHHNVZZLFR-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@H](C(=O)Nc1c[nH]nn1)[C@H](C)C(C)(C)C ZINC001447929526 984802987 /nfs/dbraw/zinc/80/29/87/984802987.db2.gz WWGCTOZVOHOVJU-YUMQZZPRSA-N 0 1 224.308 2.062 20 0 BEADMN CC[C@@]12C[C@@H](CO1)N([C@H](C)Cc1ccncc1)C2 ZINC001256746383 984808072 /nfs/dbraw/zinc/80/80/72/984808072.db2.gz VSXJDCCYNFLUEV-SNPRPXQTSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1cc(-c2cc3c(nn2)CNC3)cc(C)c1O ZINC001243306366 984823631 /nfs/dbraw/zinc/82/36/31/984823631.db2.gz QOONXPLQFVYEGU-UHFFFAOYSA-N 0 1 241.294 2.069 20 0 BEADMN Cc1nccnc1-c1ccc(O)c(F)c1F ZINC001243337678 984828518 /nfs/dbraw/zinc/82/85/18/984828518.db2.gz ARCCHBIUSQWOPQ-UHFFFAOYSA-N 0 1 222.194 2.436 20 0 BEADMN c1[nH]nnc1COCCSCC1CCCC1 ZINC001578052862 984834512 /nfs/dbraw/zinc/83/45/12/984834512.db2.gz SURFQCSZSRSQIG-UHFFFAOYSA-N 0 1 241.360 2.245 20 0 BEADMN CCC(CC)N1CC(N2CCC(F)(F)C2)C1 ZINC001257301270 984874676 /nfs/dbraw/zinc/87/46/76/984874676.db2.gz XPTDDOBYPCABRX-UHFFFAOYSA-N 0 1 232.318 2.200 20 0 BEADMN Fc1nc2nc[nH]c2c(-c2ccncc2Cl)n1 ZINC001243386982 984875697 /nfs/dbraw/zinc/87/56/97/984875697.db2.gz VZEXGCCICYXVDB-UHFFFAOYSA-N 0 1 249.636 2.207 20 0 BEADMN CCC[C@@H](C)N[C@H]1NC(=O)c2ccccc21 ZINC001257309966 984884110 /nfs/dbraw/zinc/88/41/10/984884110.db2.gz OLHWPDREJDOJRQ-SKDRFNHKSA-N 0 1 218.300 2.207 20 0 BEADMN Cc1cc(-c2cncc3nc[nH]c32)cnc1F ZINC001243397072 984887433 /nfs/dbraw/zinc/88/74/33/984887433.db2.gz ZGFRUHAUGQKZMM-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCC[C@@H](C)n1c(CN)nc2cnccc21 ZINC001257313097 984889345 /nfs/dbraw/zinc/88/93/45/984889345.db2.gz KOMFBRXIZVBMRW-SECBINFHSA-N 0 1 218.304 2.251 20 0 BEADMN CN(C)C=Cc1ccncc1-c1cc[nH]c(=O)c1 ZINC001243430175 984934210 /nfs/dbraw/zinc/93/42/10/984934210.db2.gz KLAKQNGKRBNVBL-VMPITWQZSA-N 0 1 241.294 2.382 20 0 BEADMN CCCC[C@H](CC)N(C)CC(=O)OC ZINC001257425223 984987358 /nfs/dbraw/zinc/98/73/58/984987358.db2.gz MMZYFWYKUPWSKL-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CC[C@H](C)NC1(c2cccc(F)c2)COC1 ZINC001257430392 985000055 /nfs/dbraw/zinc/00/00/55/985000055.db2.gz NIAOYAFZSYODHG-JTQLQIEISA-N 0 1 223.291 2.439 20 0 BEADMN CCOCc1noc2c1CN([C@H](C)CC)CC2 ZINC001257445992 985039869 /nfs/dbraw/zinc/03/98/69/985039869.db2.gz WATAJWJGPVSDJX-SNVBAGLBSA-N 0 1 238.331 2.368 20 0 BEADMN CCC[C@H](C)CC[C@H](C)N1CCO[C@@H](CO)C1 ZINC001257477178 985101972 /nfs/dbraw/zinc/10/19/72/985101972.db2.gz MPKCYVBOPXBQRU-MELADBBJSA-N 0 1 243.391 2.284 20 0 BEADMN CCC[C@@H](C)CC[C@@H](C)N1CCO[C@@H](CO)C1 ZINC001257477179 985103072 /nfs/dbraw/zinc/10/30/72/985103072.db2.gz MPKCYVBOPXBQRU-MGPQQGTHSA-N 0 1 243.391 2.284 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCC(C)(C)C2)[nH]1 ZINC001456143960 985118793 /nfs/dbraw/zinc/11/87/93/985118793.db2.gz MMSJXRWFEWLUGJ-JTQLQIEISA-N 0 1 249.358 2.415 20 0 BEADMN CS/C=C\C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456344546 985135987 /nfs/dbraw/zinc/13/59/87/985135987.db2.gz LPNZORUWOGEPJS-PLNGDYQASA-N 0 1 239.344 2.026 20 0 BEADMN CCCCC[C@@H](C)N1CCN(C(=O)OC)CC1 ZINC001257509387 985138693 /nfs/dbraw/zinc/13/86/93/985138693.db2.gz QYILFYQNAKBIJW-GFCCVEGCSA-N 0 1 242.363 2.339 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1C[C@@H]1C1CC1 ZINC001456443745 985144377 /nfs/dbraw/zinc/14/43/77/985144377.db2.gz QSHHJRQAZFYCOV-OLZOCXBDSA-N 0 1 241.294 2.319 20 0 BEADMN Cc1ccc([C@@H](O)CN2CC[C@H](F)C2)cc1 ZINC000689813248 985305875 /nfs/dbraw/zinc/30/58/75/985305875.db2.gz CYTCZIGHUCUVOS-STQMWFEESA-N 0 1 223.291 2.072 20 0 BEADMN CC(C)C1(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000687534351 985307942 /nfs/dbraw/zinc/30/79/42/985307942.db2.gz LZXPKZRPAKRCAA-GFCCVEGCSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)C1(C[N@H+]2CCC[C@H]2CC(=O)[O-])CC1 ZINC000687534520 985307979 /nfs/dbraw/zinc/30/79/79/985307979.db2.gz NECMPHYKLSWSRJ-NSHDSACASA-N 0 1 225.332 2.362 20 0 BEADMN Cc1cccc(NC(=O)C2(N(C)C)CCC2)c1O ZINC000158911696 985309559 /nfs/dbraw/zinc/30/95/59/985309559.db2.gz XOFDFFVBOCIYRM-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN Cc1cn[nH]c1CSc1nnc2ccccn21 ZINC001458819352 985357193 /nfs/dbraw/zinc/35/71/93/985357193.db2.gz ZKTJTQJIUZBUFE-UHFFFAOYSA-N 0 1 245.311 2.053 20 0 BEADMN CC(C)S(=O)(=O)CCN(C)[C@H](C)C(C)(C)C ZINC000687807282 985395565 /nfs/dbraw/zinc/39/55/65/985395565.db2.gz YAEOHNFQIQFFDD-LLVKDONJSA-N 0 1 249.420 2.176 20 0 BEADMN c1[nH]nnc1CCSCC1CCCC1 ZINC001459291273 985436964 /nfs/dbraw/zinc/43/69/64/985436964.db2.gz SLPLDXGGBKOJOU-UHFFFAOYSA-N 0 1 211.334 2.271 20 0 BEADMN CCn1cc(-c2cccc3cncn32)ccc1=O ZINC001243838033 985446071 /nfs/dbraw/zinc/44/60/71/985446071.db2.gz LXZOAWQDJYVJCC-UHFFFAOYSA-N 0 1 239.278 2.183 20 0 BEADMN NCc1ncc(-c2cc(C3CC3)cnc2F)cn1 ZINC001243859064 985506624 /nfs/dbraw/zinc/50/66/24/985506624.db2.gz LWISXFFVGHLTQP-UHFFFAOYSA-N 0 1 244.273 2.014 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1nc2ccccc2s1 ZINC000688048662 985534711 /nfs/dbraw/zinc/53/47/11/985534711.db2.gz OHBJUSIPGRPZIF-KOLCDFICSA-N 0 1 248.351 2.421 20 0 BEADMN COc1nscc1CN1CC[C@H](C)[C@@H]1C ZINC001459633559 985578167 /nfs/dbraw/zinc/57/81/67/985578167.db2.gz UHOABWCTOVRFOT-IUCAKERBSA-N 0 1 226.345 2.382 20 0 BEADMN c1cn2cc(-c3cccc4nc[nH]c43)ncc2n1 ZINC001243933410 985606375 /nfs/dbraw/zinc/60/63/75/985606375.db2.gz VYZSUMBKKATPOE-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN O=C1NCc2ccc(-c3cccc4nc[nH]c43)cc21 ZINC001243933780 985612537 /nfs/dbraw/zinc/61/25/37/985612537.db2.gz ZYVMYYKPGYDSQS-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCC1CCC1 ZINC000688391938 985626377 /nfs/dbraw/zinc/62/63/77/985626377.db2.gz NERCBMKCVPIWOR-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@H](C)c2nccnc2C)CO1 ZINC000688440564 985639871 /nfs/dbraw/zinc/63/98/71/985639871.db2.gz UMERRWRMOFMSIV-IJLUTSLNSA-N 0 1 235.331 2.003 20 0 BEADMN c1cc2c(c(C3=CNCCC3)c1)OCCO2 ZINC001243950483 985652250 /nfs/dbraw/zinc/65/22/50/985652250.db2.gz VODRAONMIREQDO-UHFFFAOYSA-N 0 1 217.268 2.182 20 0 BEADMN CCOC(=O)c1ncc(C2=CNCCC2)cc1C ZINC001243953124 985663958 /nfs/dbraw/zinc/66/39/58/985663958.db2.gz VPNYSPZIZSOCFW-UHFFFAOYSA-N 0 1 246.310 2.291 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC001594499606 985667906 /nfs/dbraw/zinc/66/79/06/985667906.db2.gz OGFVYQLZGSLPFI-YIZRAAEISA-N 0 1 238.287 2.022 20 0 BEADMN CCCN(CC(=O)OCC)[C@H](C)CCSC ZINC001258225941 985675138 /nfs/dbraw/zinc/67/51/38/985675138.db2.gz JEBUHCXFFKZIQP-LLVKDONJSA-N 0 1 247.404 2.403 20 0 BEADMN Cc1nc2cc(-c3ccc(F)nn3)ccc2[nH]1 ZINC001243965534 985682836 /nfs/dbraw/zinc/68/28/36/985682836.db2.gz XZHZHLODSZJGKJ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCN1CCN(CCCC2CC2)C(C)(C)C1=O ZINC001459990340 985688604 /nfs/dbraw/zinc/68/86/04/985688604.db2.gz LKKQJAIZBMCBFG-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@@H](CC(F)F)CN(CC)CC(=O)OC ZINC000688721578 985714892 /nfs/dbraw/zinc/71/48/92/985714892.db2.gz ZBORZRTYJZLNOJ-VIFPVBQESA-N 0 1 237.290 2.163 20 0 BEADMN COc1cc(O)ccc1-c1nccc2[nH]cnc21 ZINC001243981634 985719150 /nfs/dbraw/zinc/71/91/50/985719150.db2.gz RTPNZFKKVJOVOV-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1cc(O)ccc1-c1[nH]ccc2ncnc1-2 ZINC001243981634 985719166 /nfs/dbraw/zinc/71/91/66/985719166.db2.gz RTPNZFKKVJOVOV-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CC(C)N(CCOC1CCCCC1)C1COC1 ZINC001460141067 985775900 /nfs/dbraw/zinc/77/59/00/985775900.db2.gz GZLVBSBZZANUCG-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C(=O)[O-])CC2)CC(C)(C)C1 ZINC001594509634 985780669 /nfs/dbraw/zinc/78/06/69/985780669.db2.gz WECRUSGWJOZZKN-JTQLQIEISA-N 0 1 225.332 2.219 20 0 BEADMN Cc1nc[nH]c1-c1nnc(CCC(C)C)o1 ZINC001258322816 985806556 /nfs/dbraw/zinc/80/65/56/985806556.db2.gz OLDILRVJXNPUIB-UHFFFAOYSA-N 0 1 220.276 2.357 20 0 BEADMN Oc1c(F)cc(-c2cnc3n[nH]nc3c2)cc1F ZINC001244095058 985809151 /nfs/dbraw/zinc/80/91/51/985809151.db2.gz ZSHQHSLJCNZNTF-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN COC(=O)CC[C@H](C)N[C@H](C)c1nccs1 ZINC001258356281 985837768 /nfs/dbraw/zinc/83/77/68/985837768.db2.gz UAZZCLHMUAMPJE-DTWKUNHWSA-N 0 1 242.344 2.135 20 0 BEADMN COC(=O)CC[C@H](C)N[C@@H](C)c1nccs1 ZINC001258356282 985837849 /nfs/dbraw/zinc/83/78/49/985837849.db2.gz UAZZCLHMUAMPJE-IUCAKERBSA-N 0 1 242.344 2.135 20 0 BEADMN COC(=O)CC[C@H](C)N1CCC[C@](C)(F)C1 ZINC001258366705 985848604 /nfs/dbraw/zinc/84/86/04/985848604.db2.gz VIJZSSHGDGKXEC-JQWIXIFHSA-N 0 1 231.311 2.152 20 0 BEADMN CCCCC[C@H](CC)N1CC(=O)N[C@H](C)C1 ZINC001258436501 985880092 /nfs/dbraw/zinc/88/00/92/985880092.db2.gz PWUNYQYCQGYBKW-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCC[C@H](CC)N1CC(=O)N[C@@H](C)C1 ZINC001258436503 985879941 /nfs/dbraw/zinc/87/99/41/985879941.db2.gz PWUNYQYCQGYBKW-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCCCC[C@@H](CC)N1CC(=O)N[C@@H](C)C1 ZINC001258436502 985880487 /nfs/dbraw/zinc/88/04/87/985880487.db2.gz PWUNYQYCQGYBKW-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H]1c2sccc2CCN1CC1=NOCC1 ZINC001460720407 985881142 /nfs/dbraw/zinc/88/11/42/985881142.db2.gz LGJNMDQXOOQJSR-SECBINFHSA-N 0 1 236.340 2.444 20 0 BEADMN CC(C)C[N@H+]1CCc2nc(N(C)C)sc2C1 ZINC001460712291 985882773 /nfs/dbraw/zinc/88/27/73/985882773.db2.gz IAOMSRRUKIPIRJ-UHFFFAOYSA-N 0 1 239.388 2.223 20 0 BEADMN CCCCCCN1CC(=O)NC[C@@H]1C(C)(C)C ZINC001460829356 985904329 /nfs/dbraw/zinc/90/43/29/985904329.db2.gz CZXODHOKBAQKDC-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN COC(=O)CN1C[C@@H](c2ccccc2)CC1(C)C ZINC001460861631 985910569 /nfs/dbraw/zinc/91/05/69/985910569.db2.gz ATMWJDJYLHDJTJ-ZDUSSCGKSA-N 0 1 247.338 2.428 20 0 BEADMN CC(F)(F)CN1CCN(CCC2CCC2)CC1 ZINC001460845011 985916863 /nfs/dbraw/zinc/91/68/63/985916863.db2.gz RWFZNCWFADVLTF-UHFFFAOYSA-N 0 1 246.345 2.449 20 0 BEADMN CC/C=C\CCN(C)Cc1ccn(C)n1 ZINC001460931022 985941734 /nfs/dbraw/zinc/94/17/34/985941734.db2.gz HEMXFZZWGKABGK-WAYWQWQTSA-N 0 1 207.321 2.208 20 0 BEADMN CCOC(=O)CC[C@H](C)N1C[C@H](F)C[C@H]1C ZINC001258490501 985953533 /nfs/dbraw/zinc/95/35/33/985953533.db2.gz YAJLXUMEMMKQLB-HBNTYKKESA-N 0 1 231.311 2.151 20 0 BEADMN CCOC(=O)CC[C@H](C)N1C[C@@H](F)C[C@H]1C ZINC001258490499 985953976 /nfs/dbraw/zinc/95/39/76/985953976.db2.gz YAJLXUMEMMKQLB-AXFHLTTASA-N 0 1 231.311 2.151 20 0 BEADMN Cc1cc(CN2CCCC[C@@]23CCOC3)on1 ZINC001460961936 985970380 /nfs/dbraw/zinc/97/03/80/985970380.db2.gz VGTGYOCBHVMZJK-ZDUSSCGKSA-N 0 1 236.315 2.128 20 0 BEADMN Oc1ccc2c(c1)CCN(CCOCC1CC1)C2 ZINC001460978531 985971946 /nfs/dbraw/zinc/97/19/46/985971946.db2.gz PMNISIOIXQABRJ-UHFFFAOYSA-N 0 1 247.338 2.177 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCOC(C)(C)C1 ZINC001258622465 985989090 /nfs/dbraw/zinc/98/90/90/985989090.db2.gz NGWUZZVGHBLOGX-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCC(=O)[C@@H](C)CC1 ZINC001258622463 985989857 /nfs/dbraw/zinc/98/98/57/985989857.db2.gz NDCMPDHIHMYLLH-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc([C@H](C)O)cc1 ZINC001461100355 986006476 /nfs/dbraw/zinc/00/64/76/986006476.db2.gz JZEXHZFNHYDAAF-NSHDSACASA-N 0 1 245.326 2.061 20 0 BEADMN CC(=O)OC1CN([C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001258700400 986024864 /nfs/dbraw/zinc/02/48/64/986024864.db2.gz MGQQVWVHMFRAAK-ZYHUDNBSSA-N 0 1 239.359 2.449 20 0 BEADMN Cc1ccc(O)c(-c2nc(F)nc3nc[nH]c32)c1 ZINC001244401794 986067389 /nfs/dbraw/zinc/06/73/89/986067389.db2.gz JMTPQNSBMIFEEL-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Nc1cnc(-c2ccc(Cl)cc2O)cn1 ZINC001244469654 986147461 /nfs/dbraw/zinc/14/74/61/986147461.db2.gz OGGDZHHWELKJCX-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)c(CO)c1 ZINC001244489387 986199434 /nfs/dbraw/zinc/19/94/34/986199434.db2.gz PDSIEGSKAIJJOX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)c(CO)c1 ZINC001244489387 986199460 /nfs/dbraw/zinc/19/94/60/986199460.db2.gz PDSIEGSKAIJJOX-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN CCOC(OCC)[C@@H](C)NCc1cncs1 ZINC001461836494 986199707 /nfs/dbraw/zinc/19/97/07/986199707.db2.gz FTYUMQDTIPPPOG-SECBINFHSA-N 0 1 244.360 2.020 20 0 BEADMN CC(=O)c1cc(-c2ncnc3c2CNC3)cs1 ZINC001244622299 986283038 /nfs/dbraw/zinc/28/30/38/986283038.db2.gz FJIYOYUDIWVCLU-UHFFFAOYSA-N 0 1 245.307 2.011 20 0 BEADMN C[C@H]1CCC[C@H](N2CCn3cncc3C2)C1 ZINC001258827688 986292384 /nfs/dbraw/zinc/29/23/84/986292384.db2.gz UDUIIYDMUIUHOU-RYUDHWBXSA-N 0 1 219.332 2.277 20 0 BEADMN C/C=C/CNCc1csc(C(=O)OC)c1 ZINC000689130222 986328082 /nfs/dbraw/zinc/32/80/82/986328082.db2.gz PMNMONLILSTOCK-ONEGZZNKSA-N 0 1 225.313 2.200 20 0 BEADMN OCc1cc(-c2cccc3nc[nH]c32)ccc1O ZINC001244776238 986337171 /nfs/dbraw/zinc/33/71/71/986337171.db2.gz VCHJKHYXMUFERR-UHFFFAOYSA-N 0 1 240.262 2.428 20 0 BEADMN CC(C)(C)[C@@H](O)CNc1cnc2ccccn12 ZINC001253718300 986337740 /nfs/dbraw/zinc/33/77/40/986337740.db2.gz TVJKNGZYHPLDDT-JTQLQIEISA-N 0 1 233.315 2.153 20 0 BEADMN CCOC1CN(C[C@@H](OC)C2CCCCC2)C1 ZINC001462316726 986350853 /nfs/dbraw/zinc/35/08/53/986350853.db2.gz QGPVKKUXSMXEFL-CQSZACIVSA-N 0 1 241.375 2.302 20 0 BEADMN CCc1nnc(CNC[C@]2(C)CC2(F)F)s1 ZINC000689168223 986366482 /nfs/dbraw/zinc/36/64/82/986366482.db2.gz VEOCHMYSCHVFMT-VIFPVBQESA-N 0 1 247.314 2.235 20 0 BEADMN Cc1c(F)cncc1-c1cc(N)ccn1 ZINC001244832976 986374443 /nfs/dbraw/zinc/37/44/43/986374443.db2.gz YMBCLWHNOIRAGD-UHFFFAOYSA-N 0 1 203.220 2.173 20 0 BEADMN COc1ncc(-c2nccc3[nH]ccc32)cc1O ZINC001244843158 986388932 /nfs/dbraw/zinc/38/89/32/986388932.db2.gz XPHHVOUZWZKZBP-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN O[C@H]1C[C@H](NCc2cncc(Cl)c2Cl)C1 ZINC001462457178 986396906 /nfs/dbraw/zinc/39/69/06/986396906.db2.gz DGALOQNCPYKBRN-ZKCHVHJHSA-N 0 1 247.125 2.001 20 0 BEADMN Cc1c(N)ccnc1-c1ccc(CO)cc1F ZINC001244911155 986451570 /nfs/dbraw/zinc/45/15/70/986451570.db2.gz WVBGEKCGWKBZTL-UHFFFAOYSA-N 0 1 232.258 2.271 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2cncs2)n1C ZINC000689251088 986461732 /nfs/dbraw/zinc/46/17/32/986461732.db2.gz JIWOCMBENWXTET-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN CNc1cc(-c2cc(N(C)C)ccn2)ccn1 ZINC001244970865 986544393 /nfs/dbraw/zinc/54/43/93/986544393.db2.gz BOLKSPMUDHJUBP-UHFFFAOYSA-N 0 1 228.299 2.251 20 0 BEADMN COc1c(O)cccc1-c1ccc2[nH]nnc2c1 ZINC001244987700 986581409 /nfs/dbraw/zinc/58/14/09/986581409.db2.gz GHNUYATZNBHMRD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1c(O)cccc1-c1ccc2nn[nH]c2c1 ZINC001244987700 986581423 /nfs/dbraw/zinc/58/14/23/986581423.db2.gz GHNUYATZNBHMRD-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cc1cc(CCC(=O)N(C)C2CCCCC2)n[nH]1 ZINC001463899875 986587802 /nfs/dbraw/zinc/58/78/02/986587802.db2.gz GRXOKOSFDTZMCY-UHFFFAOYSA-N 0 1 249.358 2.442 20 0 BEADMN COc1c(O)cccc1-c1cccc2[nH]nnc21 ZINC001244991025 986589095 /nfs/dbraw/zinc/58/90/95/986589095.db2.gz BWDJATCYWODFBI-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Nc1c(F)cccc1CN1CCC(F)CC1 ZINC000689443593 986611338 /nfs/dbraw/zinc/61/13/38/986611338.db2.gz BJPLSUIPESXIRU-UHFFFAOYSA-N 0 1 226.270 2.342 20 0 BEADMN Oc1ccc(Cl)cc1-c1nccc2n[nH]nc21 ZINC001245051943 986611982 /nfs/dbraw/zinc/61/19/82/986611982.db2.gz SCJIRRSPFUZQSY-UHFFFAOYSA-N 0 1 246.657 2.379 20 0 BEADMN Cc1cccc([C@H](O)CN2CCC[C@@H](F)C2)c1 ZINC000689439440 986612242 /nfs/dbraw/zinc/61/22/42/986612242.db2.gz ZAXKPDJLSGCBCC-ZIAGYGMSSA-N 0 1 237.318 2.462 20 0 BEADMN COCCNCc1cscc1Cl ZINC000379331861 986634891 /nfs/dbraw/zinc/63/48/91/986634891.db2.gz FNIPPFNEWMFYCL-UHFFFAOYSA-N 0 1 205.710 2.138 20 0 BEADMN C[C@H]1CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC1=O ZINC001254944458 986752655 /nfs/dbraw/zinc/75/26/55/986752655.db2.gz BNJXILGMXDGVFM-WUHRBBMRSA-N 0 1 249.354 2.045 20 0 BEADMN CCOc1cc(-c2nccc3[nH]cnc32)ccn1 ZINC001245260408 986764332 /nfs/dbraw/zinc/76/43/32/986764332.db2.gz JSXFJAJFUTXSRH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1cc(-c2[nH]ccc3ncnc2-3)ccn1 ZINC001245260408 986764339 /nfs/dbraw/zinc/76/43/39/986764339.db2.gz JSXFJAJFUTXSRH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1cc(-c2cncc3nc[nH]c32)ccn1 ZINC001245267544 986773516 /nfs/dbraw/zinc/77/35/16/986773516.db2.gz RXEGCIAJGFSCKO-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(C)C)c1 ZINC001466555669 986811636 /nfs/dbraw/zinc/81/16/36/986811636.db2.gz PHEPMYHYVPEZCT-CHWSQXEVSA-N 0 1 248.370 2.431 20 0 BEADMN Nc1ccnc(-c2c[nH]c3cnccc23)c1 ZINC001245388258 986827081 /nfs/dbraw/zinc/82/70/81/986827081.db2.gz QSJDQWSNKFJWJW-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COc1cnc(-c2cc3ccc[nH]c-3n2)nc1C ZINC001245400346 986840827 /nfs/dbraw/zinc/84/08/27/986840827.db2.gz QSCADLBYFWVJEQ-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCn1ccc(-c2cc3cccnc3[nH]2)cc1=O ZINC001245405434 986845259 /nfs/dbraw/zinc/84/52/59/986845259.db2.gz UKFWYYQZBLKDQI-UHFFFAOYSA-N 0 1 239.278 2.412 20 0 BEADMN CCC1(CC)CCCN(c2nccnc2CN)C1 ZINC000701770777 986855619 /nfs/dbraw/zinc/85/56/19/986855619.db2.gz FLGZULWMWZOAPZ-UHFFFAOYSA-N 0 1 248.374 2.342 20 0 BEADMN Cn1ncc2cc(-c3cccn4cncc34)cnc21 ZINC001245475161 986863385 /nfs/dbraw/zinc/86/33/85/986863385.db2.gz MYCPATZHEXVIML-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN Cc1cccc2c1[C@H](N[C@@H]1CCSC1)C(=O)N2 ZINC001255269109 986875255 /nfs/dbraw/zinc/87/52/55/986875255.db2.gz YWPHEQDIMSTAEY-SKDRFNHKSA-N 0 1 248.351 2.083 20 0 BEADMN F[C@@H]1CCN(Cc2c[nH]c3ncccc23)C1 ZINC001137397309 986875476 /nfs/dbraw/zinc/87/54/76/986875476.db2.gz HRNHUKOXCODJNM-SNVBAGLBSA-N 0 1 219.263 2.107 20 0 BEADMN CC(=O)[C@H](N[C@@H]1CCSC1)c1ccccc1 ZINC001255269721 986881046 /nfs/dbraw/zinc/88/10/46/986881046.db2.gz OHOPLCOSJJSHRF-OLZOCXBDSA-N 0 1 235.352 2.412 20 0 BEADMN CCC1(NC(=O)c2cnncc2O)CCCCC1 ZINC001468235709 986890349 /nfs/dbraw/zinc/89/03/49/986890349.db2.gz UZZJZZCUASCPCF-UHFFFAOYSA-N 0 1 249.314 2.025 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC3(CCC3)C2)[nH]1 ZINC001137429088 986896912 /nfs/dbraw/zinc/89/69/12/986896912.db2.gz JJJRQHBSKMOYNY-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN CCCC1(CNC(=O)c2[nH]ncc2F)CCC1 ZINC001137509100 986935979 /nfs/dbraw/zinc/93/59/79/986935979.db2.gz XOUCLEZTSNOAGO-UHFFFAOYSA-N 0 1 239.294 2.249 20 0 BEADMN Nc1ncc(-c2cc3[nH]cnc3cn2)cc1Cl ZINC001245560423 986954643 /nfs/dbraw/zinc/95/46/43/986954643.db2.gz DMRZSOJXBYUDGL-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN CN1CC[C@H](N2CCCC[C@@H]2C(F)(F)F)C1 ZINC001255435448 986959555 /nfs/dbraw/zinc/95/95/55/986959555.db2.gz FYIVVGTUCQZBMX-VHSXEESVSA-N 0 1 236.281 2.107 20 0 BEADMN C[C@@H](NC(=O)c1[nH]ncc1F)C1CCCCC1 ZINC001469273918 986973402 /nfs/dbraw/zinc/97/34/02/986973402.db2.gz URVXIAWOUGJPJU-MRVPVSSYSA-N 0 1 239.294 2.247 20 0 BEADMN COc1cc(OC)c(-c2nccc(N)c2C)cn1 ZINC001245609502 986994349 /nfs/dbraw/zinc/99/43/49/986994349.db2.gz RTUVVSVIDKSEFP-UHFFFAOYSA-N 0 1 245.282 2.051 20 0 BEADMN Nc1ncccc1-c1cc(O)c(F)c(F)c1F ZINC001245635768 987014303 /nfs/dbraw/zinc/01/43/03/987014303.db2.gz NXIDEGHCTRZRJJ-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN Cc1cnnc(-c2c(O)cccc2F)c1 ZINC001245651730 987016417 /nfs/dbraw/zinc/01/64/17/987016417.db2.gz GSTNYTBWLWZZHH-UHFFFAOYSA-N 0 1 204.204 2.297 20 0 BEADMN Cc1ccnc(-c2c(O)cccc2F)c1C(N)=O ZINC001245651835 987016466 /nfs/dbraw/zinc/01/64/66/987016466.db2.gz IFNPLPNVDHXDAM-UHFFFAOYSA-N 0 1 246.241 2.001 20 0 BEADMN COCc1cc(-c2c(O)cccc2F)ncn1 ZINC001245651768 987018602 /nfs/dbraw/zinc/01/86/02/987018602.db2.gz HBTSIBLWCFZBGH-UHFFFAOYSA-N 0 1 234.230 2.135 20 0 BEADMN COC(=O)c1cccnc1-c1c(O)cccc1F ZINC001245652102 987020039 /nfs/dbraw/zinc/02/00/39/987020039.db2.gz OHUSCFDPWXOOER-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN Cn1cnc2ccnc(-c3c(O)cccc3F)c21 ZINC001245654855 987030719 /nfs/dbraw/zinc/03/07/19/987030719.db2.gz SJDSAPOVYSLODX-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN NC(=S)c1cccnc1-c1c(O)cccc1F ZINC001245655112 987032700 /nfs/dbraw/zinc/03/27/00/987032700.db2.gz YDKXBAJGHIZFQL-UHFFFAOYSA-N 0 1 248.282 2.228 20 0 BEADMN Oc1cccc(F)c1-c1cnc(F)cn1 ZINC001245656141 987036523 /nfs/dbraw/zinc/03/65/23/987036523.db2.gz PDUPYZRQNRKMPN-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cccc(O)c1)C1CCC1 ZINC001589487238 987044390 /nfs/dbraw/zinc/04/43/90/987044390.db2.gz VSYOVZXBGBHOOG-JTQLQIEISA-N 0 1 249.310 2.220 20 0 BEADMN c1ncn2cc(-c3ncnc4c3CCC4)ccc12 ZINC001245894836 987108296 /nfs/dbraw/zinc/10/82/96/987108296.db2.gz MTCZTUPYECILBD-UHFFFAOYSA-N 0 1 236.278 2.280 20 0 BEADMN c1cc2nc(-c3ccc4cncn4c3)ncc2[nH]1 ZINC001245895426 987110136 /nfs/dbraw/zinc/11/01/36/987110136.db2.gz ZWONMGWNKHUKNP-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN Cn1cnc2ccc(-c3ccc4cncn4c3)nc21 ZINC001245895551 987112414 /nfs/dbraw/zinc/11/24/14/987112414.db2.gz AGPSGDDVPFYMGY-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1ncn2cc(-c3ncnc4cccnc43)ccc12 ZINC001245895365 987112682 /nfs/dbraw/zinc/11/26/82/987112682.db2.gz XIRJDEYXDFJOLW-UHFFFAOYSA-N 0 1 247.261 2.340 20 0 BEADMN c1nc2c[nH]cc(-c3ccc4cncn4c3)c-2n1 ZINC001245896284 987115827 /nfs/dbraw/zinc/11/58/27/987115827.db2.gz KTPHZLBRNJAPLN-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1ncnc(C)c1-c1ccc2cncn2c1 ZINC001245896320 987125851 /nfs/dbraw/zinc/12/58/51/987125851.db2.gz LJPAOOWRHKNEDC-UHFFFAOYSA-N 0 1 240.266 2.108 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCCC23CC3)[nH]1 ZINC001472020090 987164060 /nfs/dbraw/zinc/16/40/60/987164060.db2.gz CBBJSWWZGOHGEQ-NSHDSACASA-N 0 1 247.342 2.169 20 0 BEADMN COc1ccc(-n2[nH]c(C3CCC3)cc2=O)cn1 ZINC001245922702 987167777 /nfs/dbraw/zinc/16/77/77/987167777.db2.gz IGHXVNHILSBTHL-UHFFFAOYSA-N 0 1 245.282 2.249 20 0 BEADMN CCCc1cc(=O)n(Cc2cccc(O)c2)[nH]1 ZINC001245925230 987171755 /nfs/dbraw/zinc/17/17/55/987171755.db2.gz QBCGHDDCQAZADF-UHFFFAOYSA-N 0 1 232.283 2.295 20 0 BEADMN CCn1[nH]c(Cc2ccccc2)cc1=O ZINC001245926373 987180258 /nfs/dbraw/zinc/18/02/58/987180258.db2.gz YUKKMLQFHAJABD-UHFFFAOYSA-N 0 1 202.257 2.199 20 0 BEADMN CC(C)SCC(=O)Nc1ccc2cncn2c1 ZINC001472134340 987185517 /nfs/dbraw/zinc/18/55/17/987185517.db2.gz WBEWYRJOCSAKPU-UHFFFAOYSA-N 0 1 249.339 2.414 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1Cc1cncnc1 ZINC001245928217 987186442 /nfs/dbraw/zinc/18/64/42/987186442.db2.gz BOVMEBBQFJLIHO-UHFFFAOYSA-N 0 1 244.298 2.085 20 0 BEADMN CC[C@H](O)Cn1[nH]c(C2CCCC2)cc1=O ZINC001245929061 987188466 /nfs/dbraw/zinc/18/84/66/987188466.db2.gz XQRFTCJRRZUXNV-JTQLQIEISA-N 0 1 224.304 2.017 20 0 BEADMN Cc1cc(=O)n(-c2cc(C)ccc2F)[nH]1 ZINC001245928196 987188660 /nfs/dbraw/zinc/18/86/60/987188660.db2.gz QKYWBJOQJYSEMN-UHFFFAOYSA-N 0 1 206.220 2.334 20 0 BEADMN O=c1cc(C2CCCCC2)[nH]n1CCCCO ZINC001245936219 987200175 /nfs/dbraw/zinc/20/01/75/987200175.db2.gz PGPIYJZGUPQUAQ-UHFFFAOYSA-N 0 1 238.331 2.409 20 0 BEADMN C[C@H](O)Cn1[nH]c(C2CCCCC2)cc1=O ZINC001245936512 987200552 /nfs/dbraw/zinc/20/05/52/987200552.db2.gz WKBOOSIAYZRBNB-VIFPVBQESA-N 0 1 224.304 2.017 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1Cc1ccncc1 ZINC001245935744 987202663 /nfs/dbraw/zinc/20/26/63/987202663.db2.gz ALIFGCUESOXDKY-UHFFFAOYSA-N 0 1 243.310 2.375 20 0 BEADMN O=c1cc(CC2CCC2)[nH]n1CC1CC1 ZINC001245937887 987207255 /nfs/dbraw/zinc/20/72/55/987207255.db2.gz UXUMNEQLIQWTBT-UHFFFAOYSA-N 0 1 206.289 2.341 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCCC(=O)[C@@H](C)C1 ZINC001256409369 987209014 /nfs/dbraw/zinc/20/90/14/987209014.db2.gz COAJOVSACFGSDO-QWHCGFSZSA-N 0 1 246.354 2.314 20 0 BEADMN COCCc1cc(=O)n([C@@H]2CCC[C@@H]2C)[nH]1 ZINC001245939949 987214288 /nfs/dbraw/zinc/21/42/88/987214288.db2.gz PPWRAAOHYKCILE-GXSJLCMTSA-N 0 1 224.304 2.139 20 0 BEADMN COCCn1[nH]c(CC2CCCCC2)cc1=O ZINC001245940246 987214802 /nfs/dbraw/zinc/21/48/02/987214802.db2.gz VDAKTJGFFVCVIC-UHFFFAOYSA-N 0 1 238.331 2.358 20 0 BEADMN C[C@@H](Cc1ccccn1)N1CCn2cccc2C1 ZINC001256418063 987218816 /nfs/dbraw/zinc/21/88/16/987218816.db2.gz RAPJBUUMXMGSIQ-ZDUSSCGKSA-N 0 1 241.338 2.330 20 0 BEADMN CC(C)Cn1[nH]c(C2CCOCC2)cc1=O ZINC001245941706 987220612 /nfs/dbraw/zinc/22/06/12/987220612.db2.gz GIDAKHNWGCINIX-UHFFFAOYSA-N 0 1 224.304 2.139 20 0 BEADMN O=c1cc(C2CCOCC2)[nH]n1C1CCC1 ZINC001245943825 987220630 /nfs/dbraw/zinc/22/06/30/987220630.db2.gz WNOBPISYCPIRET-UHFFFAOYSA-N 0 1 222.288 2.208 20 0 BEADMN CC(C)[C@@H]1COCCN1[C@H](C)Cc1ccccn1 ZINC001256423171 987224048 /nfs/dbraw/zinc/22/40/48/987224048.db2.gz ZQTYICRVHQZHNX-HIFRSBDPSA-N 0 1 248.370 2.369 20 0 BEADMN Nc1cccc(C2=NN(CC3CC3)C(=O)C2)c1 ZINC001245953347 987245728 /nfs/dbraw/zinc/24/57/28/987245728.db2.gz OQAVJSMHGSYBMA-UHFFFAOYSA-N 0 1 229.283 2.248 20 0 BEADMN C[C@@H]1C[C@@H]1c1nnc(-c2nccc3nc[nH]c32)o1 ZINC001256634978 987260294 /nfs/dbraw/zinc/26/02/94/987260294.db2.gz PSWVHQBVYXGYCZ-RQJHMYQMSA-N 0 1 241.254 2.131 20 0 BEADMN CN[C@@H](C)c1cn(C[C@@H]2CC3CCC2CC3)nn1 ZINC000691726068 987288622 /nfs/dbraw/zinc/28/86/22/987288622.db2.gz ZNPIAEWBZNKUAP-WTIISPKJSA-N 0 1 248.374 2.385 20 0 BEADMN C[C@H](CO)[C@H]1CCCCN1Cc1cscn1 ZINC000696706558 987344558 /nfs/dbraw/zinc/34/45/58/987344558.db2.gz YTVKXYJHWJFKLX-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN C[C@H]1CN(CC2=NOCC2)[C@@H]1c1ccccc1 ZINC001473208405 987368970 /nfs/dbraw/zinc/36/89/70/987368970.db2.gz OMOZFTHZSYJXQR-FZMZJTMJSA-N 0 1 230.311 2.456 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000699719928 987382010 /nfs/dbraw/zinc/38/20/10/987382010.db2.gz DYDKGBACJNFBNN-BBBLOLIVSA-N 0 1 249.301 2.463 20 0 BEADMN CCCC1CCN(CN2C[C@H](C)CC2=O)CC1 ZINC001116187152 987465755 /nfs/dbraw/zinc/46/57/55/987465755.db2.gz FUXZRUBKLDEKCS-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN COC[C@@H](NCc1cc(C)[nH]n1)c1ccc(C)o1 ZINC001116190716 987466411 /nfs/dbraw/zinc/46/64/11/987466411.db2.gz LXWKZUQSWDIZSH-GFCCVEGCSA-N 0 1 249.314 2.097 20 0 BEADMN CCCCCCN1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC001473600597 987501145 /nfs/dbraw/zinc/50/11/45/987501145.db2.gz TYTNXSKHYLKEDQ-QJPTWQEYSA-N 0 1 226.364 2.164 20 0 BEADMN CCc1cc(CNC(=O)c2cc(C)c(C)o2)n[nH]1 ZINC001116302298 987513018 /nfs/dbraw/zinc/51/30/18/987513018.db2.gz URXDRXZOFWOJAE-UHFFFAOYSA-N 0 1 247.298 2.112 20 0 BEADMN Cc1cc(CNc2ccc3c(c2)ncn3C)n[nH]1 ZINC001116317707 987518194 /nfs/dbraw/zinc/51/81/94/987518194.db2.gz BCFJWXLQGOEFIM-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)CC1 ZINC001473742327 987543985 /nfs/dbraw/zinc/54/39/85/987543985.db2.gz OOLGRXTYXVIWSI-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@H](CO)NCc1nccc(Cl)c1Cl ZINC001473802024 987566673 /nfs/dbraw/zinc/56/66/73/987566673.db2.gz NFHVEDLTWBISET-SSDOTTSWSA-N 0 1 249.141 2.249 20 0 BEADMN CC[C@@H](CO)NCc1nccc(Cl)c1Cl ZINC001473802027 987568139 /nfs/dbraw/zinc/56/81/39/987568139.db2.gz NFHVEDLTWBISET-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN C=C/C=C\CCN1CCN(CC(C)(F)F)CC1 ZINC001473828824 987572355 /nfs/dbraw/zinc/57/23/55/987572355.db2.gz GPUJFRVFHIXHLB-PLNGDYQASA-N 0 1 244.329 2.392 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC(F)(F)C2)[nH]1 ZINC001116491235 987602138 /nfs/dbraw/zinc/60/21/38/987602138.db2.gz IYOSWMHPWSFWMU-UHFFFAOYSA-N 0 1 243.257 2.014 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CCc1ccc(F)cc1 ZINC001116502196 987607738 /nfs/dbraw/zinc/60/77/38/987607738.db2.gz QNQDWCFZCXNGEY-NEPJUHHUSA-N 0 1 237.318 2.477 20 0 BEADMN C[C@H]1CC(N[C@H]2CCNCC2(F)F)C[C@H](C)C1 ZINC001246214646 987609996 /nfs/dbraw/zinc/60/99/96/987609996.db2.gz VKEXAWVUZRVTAX-FOGDFJRCSA-N 0 1 246.345 2.398 20 0 BEADMN Cc1cc(CNc2cccc(CCCO)c2)n[nH]1 ZINC001116523317 987614359 /nfs/dbraw/zinc/61/43/59/987614359.db2.gz VTXIWXNELNWNTB-UHFFFAOYSA-N 0 1 245.326 2.255 20 0 BEADMN CC(C)CC[C@@H](C)N[C@H]1CCNCC1(F)F ZINC001246215678 987615080 /nfs/dbraw/zinc/61/50/80/987615080.db2.gz XZOMQYXOGFEMIE-MNOVXSKESA-N 0 1 234.334 2.398 20 0 BEADMN Cn1ccnc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC001474030066 987632010 /nfs/dbraw/zinc/63/20/10/987632010.db2.gz SGQSHWKDEPRZMR-OLZOCXBDSA-N 0 1 233.359 2.479 20 0 BEADMN CC(C)c1nc([C@H]2CN3CCC2CC3)no1 ZINC001116612769 987644405 /nfs/dbraw/zinc/64/44/05/987644405.db2.gz UAVYCSZSKFSSKC-JTQLQIEISA-N 0 1 221.304 2.002 20 0 BEADMN FC(F)CCNCc1nc2c(s1)CCC2 ZINC001474298509 987680878 /nfs/dbraw/zinc/68/08/78/987680878.db2.gz VJXDLRNWZPZLQK-UHFFFAOYSA-N 0 1 232.299 2.377 20 0 BEADMN [O-]c1cccc2c(NC[C@@H]3CCOC3)cc[nH+]c12 ZINC001116728873 987685728 /nfs/dbraw/zinc/68/57/28/987685728.db2.gz AYAPQLXYUIVLBY-JTQLQIEISA-N 0 1 244.294 2.389 20 0 BEADMN CCn1ccc(CN(C)[C@H](C)CCSC)n1 ZINC001474337731 987692257 /nfs/dbraw/zinc/69/22/57/987692257.db2.gz ATSAHSNCBLJVSO-LLVKDONJSA-N 0 1 241.404 2.476 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)CC2)[nH]n1 ZINC001116762317 987701288 /nfs/dbraw/zinc/70/12/88/987701288.db2.gz KDESQNMPTKJEMG-JTQLQIEISA-N 0 1 225.361 2.046 20 0 BEADMN C[C@@H]1CCCN1Cc1cn(C2CC2)cn1 ZINC001474380735 987705563 /nfs/dbraw/zinc/70/55/63/987705563.db2.gz AIMOBAWSBNTJGB-SNVBAGLBSA-N 0 1 205.305 2.202 20 0 BEADMN CC(C)OC(=O)CN(CC1CCC1)C(C)C ZINC001116805466 987715704 /nfs/dbraw/zinc/71/57/04/987715704.db2.gz RDAIXOXGQVPMHX-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@H](C)c1nnc([C@@H](C)NC[C@H](C)OC)[nH]1 ZINC001474493900 987738873 /nfs/dbraw/zinc/73/88/73/987738873.db2.gz DJDNBTSKPJCXEO-LPEHRKFASA-N 0 1 240.351 2.004 20 0 BEADMN C[C@@H]1CN(Cc2cc(-c3ccccn3)n[nH]2)[C@H]1C ZINC001474551054 987754121 /nfs/dbraw/zinc/75/41/21/987754121.db2.gz UZDDLQIWDFJYCW-MNOVXSKESA-N 0 1 242.326 2.312 20 0 BEADMN COc1nc(CN2CC(C3CC3)C2)ccc1C ZINC001474550096 987754851 /nfs/dbraw/zinc/75/48/51/987754851.db2.gz OAXSMTFXGYWORL-UHFFFAOYSA-N 0 1 232.327 2.240 20 0 BEADMN Nc1ncccc1CN[C@@H]1CCCC[C@H]1F ZINC001474578749 987768430 /nfs/dbraw/zinc/76/84/30/987768430.db2.gz HVNDTMKFKOTYOL-GHMZBOCLSA-N 0 1 223.295 2.034 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)C(C)(C)C2CC2)n1 ZINC001117409820 987832356 /nfs/dbraw/zinc/83/23/56/987832356.db2.gz YRJZFLXFMNTYOU-UHFFFAOYSA-N 0 1 236.319 2.303 20 0 BEADMN CC(C)c1nc(NC(=O)C(C)(C)C2CC2)n[nH]1 ZINC001117409820 987832359 /nfs/dbraw/zinc/83/23/59/987832359.db2.gz YRJZFLXFMNTYOU-UHFFFAOYSA-N 0 1 236.319 2.303 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)[nH]n1 ZINC001117641930 987849059 /nfs/dbraw/zinc/84/90/59/987849059.db2.gz OZFVSMPPDCOHQL-LBPRGKRZSA-N 0 1 219.332 2.339 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC001594770129 987864132 /nfs/dbraw/zinc/86/41/32/987864132.db2.gz AAMBEMMBDCIBOV-VXGBXAGGSA-N 0 1 237.274 2.436 20 0 BEADMN Cc1nnc(SCCCC2CCOCC2)[nH]1 ZINC001321429492 987903179 /nfs/dbraw/zinc/90/31/79/987903179.db2.gz KJUREHYMLLFNBI-UHFFFAOYSA-N 0 1 241.360 2.412 20 0 BEADMN O=C([O-])CCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001595048496 988081452 /nfs/dbraw/zinc/08/14/52/988081452.db2.gz NTAPIHPULPIUSH-STQMWFEESA-N 0 1 237.343 2.362 20 0 BEADMN O=C([O-])CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC001595055501 988111656 /nfs/dbraw/zinc/11/16/56/988111656.db2.gz LXCMOTZFDFPQSC-LBPRGKRZSA-N 0 1 235.283 2.281 20 0 BEADMN CCCC1CCN(CN2CCCC2=O)CC1 ZINC001322272688 988180364 /nfs/dbraw/zinc/18/03/64/988180364.db2.gz SJCVHWRMULBSCG-UHFFFAOYSA-N 0 1 224.348 2.078 20 0 BEADMN Cc1cc(CNc2cccc([S@@](C)=O)c2)n[nH]1 ZINC001322733941 988369324 /nfs/dbraw/zinc/36/93/24/988369324.db2.gz LDQWPQLCLJSGCV-QGZVFWFLSA-N 0 1 249.339 2.068 20 0 BEADMN Cc1nonc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC001322739511 988373021 /nfs/dbraw/zinc/37/30/21/988373021.db2.gz TZYCRWFXWLEGGH-NWDGAFQWSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)C[C@H]1CCCCN1Cc1nc[nH]n1 ZINC001118558057 988439342 /nfs/dbraw/zinc/43/93/42/988439342.db2.gz VKOQDYKRBMCAMG-LLVKDONJSA-N 0 1 222.336 2.205 20 0 BEADMN CCCN1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001323288100 988486847 /nfs/dbraw/zinc/48/68/47/988486847.db2.gz XLNVDOBQWFHGBD-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499028497 988526110 /nfs/dbraw/zinc/52/61/10/988526110.db2.gz HCDNDPZQMLCKLF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCCN1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499028497 988526120 /nfs/dbraw/zinc/52/61/20/988526120.db2.gz HCDNDPZQMLCKLF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)OC(=O)CN1CCC[C@H](C2CC2)C1 ZINC001323481917 988536832 /nfs/dbraw/zinc/53/68/32/988536832.db2.gz DUNDXUAIIVKJJR-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@H]1CC(N2CC[C@@H](N)C(F)(F)C2)C[C@H](C)C1 ZINC001246837628 988540699 /nfs/dbraw/zinc/54/06/99/988540699.db2.gz RHMDZYPXUBKKNV-CKYFFXLPSA-N 0 1 246.345 2.479 20 0 BEADMN CC(C)CC[C@H](C)N1CC[C@H](N)C(F)(F)C1 ZINC001246839529 988541879 /nfs/dbraw/zinc/54/18/79/988541879.db2.gz XTMMVAOAEMQAAW-QWRGUYRKSA-N 0 1 234.334 2.479 20 0 BEADMN CC[C@H](C)CN1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001499631741 988554456 /nfs/dbraw/zinc/55/44/56/988554456.db2.gz JYLPRDWSTJMCNE-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN CC1=CCN(Cc2cccnc2N(C)C)CC1 ZINC001323703948 988588686 /nfs/dbraw/zinc/58/86/86/988588686.db2.gz RPWFGGTXUCQCTC-UHFFFAOYSA-N 0 1 231.343 2.300 20 0 BEADMN Cc1nnc(SCCC(F)(F)Cl)[nH]1 ZINC001118894143 988673112 /nfs/dbraw/zinc/67/31/12/988673112.db2.gz ZGAVIDLTPLRZLX-UHFFFAOYSA-N 0 1 227.667 2.427 20 0 BEADMN CC1(C)CCC(C)(C)[N@H+](Cc2nnc[nH]2)C1 ZINC001118896314 988675293 /nfs/dbraw/zinc/67/52/93/988675293.db2.gz WGOZPAXKTJDTLK-UHFFFAOYSA-N 0 1 222.336 2.205 20 0 BEADMN O=c1cc(C2CCCCC2)[nH]n1C1CC1 ZINC001119002333 988787454 /nfs/dbraw/zinc/78/74/54/988787454.db2.gz LZGLBJDXAGYVKH-UHFFFAOYSA-N 0 1 206.289 2.317 20 0 BEADMN O=C(CN1CCCC1)Nc1ccc2cc[nH]c2c1 ZINC001119044021 988809173 /nfs/dbraw/zinc/80/91/73/988809173.db2.gz DVLCQZMEHGQMNA-UHFFFAOYSA-N 0 1 243.310 2.202 20 0 BEADMN NCc1nc2c(cc(F)cc2C(F)(F)F)[nH]1 ZINC001247012735 988838892 /nfs/dbraw/zinc/83/88/92/988838892.db2.gz RTJZWGDVVTUTNX-UHFFFAOYSA-N 0 1 233.168 2.180 20 0 BEADMN OCCCc1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001247015556 988838912 /nfs/dbraw/zinc/83/89/12/988838912.db2.gz TWBVBPBKJBMSJO-UHFFFAOYSA-N 0 1 245.326 2.088 20 0 BEADMN CN1CC(c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC001247374107 988860164 /nfs/dbraw/zinc/86/01/64/988860164.db2.gz QHSBZXQTVWWZMG-UHFFFAOYSA-N 0 1 249.701 2.419 20 0 BEADMN Cc1cccc(-c2noc(C3CN(C)C3)n2)c1 ZINC001247368321 988862056 /nfs/dbraw/zinc/86/20/56/988862056.db2.gz DBKKHSZBVYPNBT-UHFFFAOYSA-N 0 1 229.283 2.074 20 0 BEADMN Cc1ccccc1-c1noc(C2CN(C)C2)n1 ZINC001247369701 988862695 /nfs/dbraw/zinc/86/26/95/988862695.db2.gz QHHJZJGYVAVIFF-UHFFFAOYSA-N 0 1 229.283 2.074 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@H](F)C2)o1 ZINC001119246816 988863225 /nfs/dbraw/zinc/86/32/25/988863225.db2.gz HKTLVLFONGBNES-VHSXEESVSA-N 0 1 212.268 2.353 20 0 BEADMN CCC(C)=C(C)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001324524277 988864212 /nfs/dbraw/zinc/86/42/12/988864212.db2.gz JDHNLVQCROPGFX-CMDGGOBGSA-N 0 1 248.330 2.045 20 0 BEADMN CNCc1nc(-c2ccc3ncsc3c2)no1 ZINC001247432047 988886503 /nfs/dbraw/zinc/88/65/03/988886503.db2.gz RJHSRAMQAMSNFH-UHFFFAOYSA-N 0 1 246.295 2.066 20 0 BEADMN CNCc1nc(-c2ccc(F)c(C)c2F)no1 ZINC001247432063 988887302 /nfs/dbraw/zinc/88/73/02/988887302.db2.gz RRCRKITUPKVDMB-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CC1(NCc2cccc3ccoc32)COC1 ZINC001119304593 988918158 /nfs/dbraw/zinc/91/81/58/988918158.db2.gz WADPVWSFLDUPKC-UHFFFAOYSA-N 0 1 217.268 2.311 20 0 BEADMN C[N@@H+](CCC(=O)C1CC1)CCC(F)(F)F ZINC001324675040 988924502 /nfs/dbraw/zinc/92/45/02/988924502.db2.gz ZRJWSAQZRNCQGP-UHFFFAOYSA-N 0 1 223.238 2.240 20 0 BEADMN CN(CCC(=O)C1CC1)CCC(F)(F)F ZINC001324675040 988924514 /nfs/dbraw/zinc/92/45/14/988924514.db2.gz ZRJWSAQZRNCQGP-UHFFFAOYSA-N 0 1 223.238 2.240 20 0 BEADMN CCC[C@H](NC)c1nc(-c2ccccn2)no1 ZINC001247626376 988951616 /nfs/dbraw/zinc/95/16/16/988951616.db2.gz CKXJGRJNQKJTMM-JTQLQIEISA-N 0 1 232.287 2.192 20 0 BEADMN CSC[C@H]1CCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001324752665 988966922 /nfs/dbraw/zinc/96/69/22/988966922.db2.gz QQVBKIPHILPXQW-LLVKDONJSA-N 0 1 225.361 2.046 20 0 BEADMN CSC[C@H]1CCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001324752665 988966935 /nfs/dbraw/zinc/96/69/35/988966935.db2.gz QQVBKIPHILPXQW-LLVKDONJSA-N 0 1 225.361 2.046 20 0 BEADMN Cc1cc(C)cc(-c2noc([C@@H]3CCN3)n2)c1 ZINC001247677483 988979102 /nfs/dbraw/zinc/97/91/02/988979102.db2.gz ZXDDZLKLUVECDM-NSHDSACASA-N 0 1 229.283 2.388 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3CCN3)n2)c(C)c1 ZINC001247676206 988980861 /nfs/dbraw/zinc/98/08/61/988980861.db2.gz AGTRNLHQXXBWCE-NSHDSACASA-N 0 1 229.283 2.388 20 0 BEADMN C[C@H]1CC[C@@H](c2nc(-c3ccncc3)no2)NC1 ZINC001247817531 989025085 /nfs/dbraw/zinc/02/50/85/989025085.db2.gz IRXDUURGTDWBNB-ONGXEEELSA-N 0 1 244.298 2.192 20 0 BEADMN Cc1nc([C@@H](C)NCc2cccn2C2CC2)n[nH]1 ZINC001119448380 989080003 /nfs/dbraw/zinc/08/00/03/989080003.db2.gz HOGOBZJHEANFJH-SECBINFHSA-N 0 1 245.330 2.100 20 0 BEADMN CN[C@H](CC(C)C)c1nc(-c2cccnc2)no1 ZINC001248206546 989082163 /nfs/dbraw/zinc/08/21/63/989082163.db2.gz XAEFFCXZWQRDAN-LLVKDONJSA-N 0 1 246.314 2.438 20 0 BEADMN Cc1ccc(-c2noc([C@@H]3C=CCN3)n2)cc1 ZINC001248229445 989086790 /nfs/dbraw/zinc/08/67/90/989086790.db2.gz QDXSCNAXNMOASZ-NSHDSACASA-N 0 1 227.267 2.246 20 0 BEADMN Cc1noc2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3C)cc12 ZINC001248690399 989124165 /nfs/dbraw/zinc/12/41/65/989124165.db2.gz KZIOALDLQZWMMO-SKDRFNHKSA-N 0 1 246.310 2.091 20 0 BEADMN Cc1nnc(SCc2cccc(N(C)C)c2)[nH]1 ZINC001325259728 989134568 /nfs/dbraw/zinc/13/45/68/989134568.db2.gz MPWCRNZDXKRJMP-UHFFFAOYSA-N 0 1 248.355 2.471 20 0 BEADMN C[C@@]1(c2nc(-c3cccc(F)c3)no2)CCN1 ZINC001248721537 989137303 /nfs/dbraw/zinc/13/73/03/989137303.db2.gz IUXIRCZJZMGVSV-LBPRGKRZSA-N 0 1 233.246 2.084 20 0 BEADMN Cc1ccncc1C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC001119536751 989139095 /nfs/dbraw/zinc/13/90/95/989139095.db2.gz DENZOQDRZNPXSS-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)cs1 ZINC001248803800 989149903 /nfs/dbraw/zinc/14/99/03/989149903.db2.gz SAEPSFAIMIDUQY-TXEJJXNPSA-N 0 1 235.352 2.467 20 0 BEADMN CN(Cc1ccc2n1CCC2)C[C@@H]1CCCCO1 ZINC001248823565 989183015 /nfs/dbraw/zinc/18/30/15/989183015.db2.gz BPFRIMORIBAWDR-HNNXBMFYSA-N 0 1 248.370 2.435 20 0 BEADMN CC[C@@H](OC(=O)c1[nH]cnc1C)C1CCC1 ZINC001516935369 989184887 /nfs/dbraw/zinc/18/48/87/989184887.db2.gz QRYBOPPFGDWHBF-SNVBAGLBSA-N 0 1 222.288 2.454 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2n1CCC2 ZINC001248825489 989188374 /nfs/dbraw/zinc/18/83/74/989188374.db2.gz GAGXIIYMKJYSER-GFCCVEGCSA-N 0 1 222.307 2.368 20 0 BEADMN CCCCN(CCC)Cc1nonc1C ZINC001248859000 989203900 /nfs/dbraw/zinc/20/39/00/989203900.db2.gz SZWREOIPMKRGAO-UHFFFAOYSA-N 0 1 211.309 2.390 20 0 BEADMN Cc1ccc2nc(CN3CCOC[C@H]3C)[nH]c2c1 ZINC001248839559 989190267 /nfs/dbraw/zinc/19/02/67/989190267.db2.gz NRAUQZHVWGXAQT-LLVKDONJSA-N 0 1 245.326 2.092 20 0 BEADMN Cc1ccc2nc(CN3CC(F)(F)C3)[nH]c2c1 ZINC001248839733 989190549 /nfs/dbraw/zinc/19/05/49/989190549.db2.gz VYUSLRJKWXQRIW-UHFFFAOYSA-N 0 1 237.253 2.322 20 0 BEADMN Cc1ccc2nc(CN(C)C3(C)COC3)[nH]c2c1 ZINC001248842624 989194560 /nfs/dbraw/zinc/19/45/60/989194560.db2.gz CHMVPSVZZDATJZ-UHFFFAOYSA-N 0 1 245.326 2.092 20 0 BEADMN C[C@H](NC1(C)CC1)c1cc2n(n1)CCC2 ZINC001325574943 989208343 /nfs/dbraw/zinc/20/83/43/989208343.db2.gz SCGLRPHAHVSNNM-VIFPVBQESA-N 0 1 205.305 2.032 20 0 BEADMN Cc1nc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC001248870185 989211999 /nfs/dbraw/zinc/21/19/99/989211999.db2.gz VQAXIVVGFWPQNB-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN Cc1nc(CN2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC001248870185 989212009 /nfs/dbraw/zinc/21/20/09/989212009.db2.gz VQAXIVVGFWPQNB-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001325599375 989212033 /nfs/dbraw/zinc/21/20/33/989212033.db2.gz GOZJXYOFQJMWTC-LBPRGKRZSA-N 0 1 233.359 2.380 20 0 BEADMN COC(=O)c1cccc(CN(C)C2CC2)c1OC ZINC001248888702 989212474 /nfs/dbraw/zinc/21/24/74/989212474.db2.gz KIHXXZMFUIWDJB-UHFFFAOYSA-N 0 1 249.310 2.076 20 0 BEADMN CO[C@@H]1CCCN(Cc2nc(C)cc(C)n2)CC1 ZINC001248972865 989235071 /nfs/dbraw/zinc/23/50/71/989235071.db2.gz OVBQFGPNDZHNTF-CYBMUJFWSA-N 0 1 249.358 2.094 20 0 BEADMN Cc1cc(CN2CCCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC001325697208 989235347 /nfs/dbraw/zinc/23/53/47/989235347.db2.gz OAIMANOOSITLTM-ZDUSSCGKSA-N 0 1 245.330 2.168 20 0 BEADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H]1C=CCC1 ZINC001517837910 989251113 /nfs/dbraw/zinc/25/11/13/989251113.db2.gz ZEOHKRSJEUAZFO-VXGBXAGGSA-N 0 1 223.316 2.121 20 0 BEADMN CC(C)N1CCC[C@@H]1C(=O)O[C@@H]1C=CCC1 ZINC001517837910 989251119 /nfs/dbraw/zinc/25/11/19/989251119.db2.gz ZEOHKRSJEUAZFO-VXGBXAGGSA-N 0 1 223.316 2.121 20 0 BEADMN CCNCc1nc(-c2cc(C)cc(OC)c2)no1 ZINC001249132566 989259583 /nfs/dbraw/zinc/25/95/83/989259583.db2.gz KXYQTIRDPUQSMN-UHFFFAOYSA-N 0 1 247.298 2.163 20 0 BEADMN COc1ccc2nc(CN3CC[C@@H](F)C3)[nH]c2c1 ZINC001249412186 989274689 /nfs/dbraw/zinc/27/46/89/989274689.db2.gz XEPLIWNMQGDTBT-SECBINFHSA-N 0 1 249.289 2.115 20 0 BEADMN CCCN(C)Cc1nc2cc(OC)ccc2[nH]1 ZINC001249410969 989275571 /nfs/dbraw/zinc/27/55/71/989275571.db2.gz KWOSBWJUWJKPSE-UHFFFAOYSA-N 0 1 233.315 2.413 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@@](C)(O)C2)ns1 ZINC001249571832 989310605 /nfs/dbraw/zinc/31/06/05/989310605.db2.gz WSTQABUKUMOSCR-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cc(CN2CCCC[C@@](C)(O)C2)ns1 ZINC001249571832 989310612 /nfs/dbraw/zinc/31/06/12/989310612.db2.gz WSTQABUKUMOSCR-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)ns1 ZINC001249571756 989311862 /nfs/dbraw/zinc/31/18/62/989311862.db2.gz WAXIWGHKGZYNQO-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2CCC[C@@H](O)[C@@H](C)C2)ns1 ZINC001249571756 989311868 /nfs/dbraw/zinc/31/18/68/989311868.db2.gz WAXIWGHKGZYNQO-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN COC(=O)c1cc(F)ccc1CN(C)C(C)C ZINC001249600083 989321352 /nfs/dbraw/zinc/32/13/52/989321352.db2.gz HXKOCEKMHPBWNW-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN Cc1c(N)c(F)ccc1Nc1cncn1C ZINC001249634383 989332838 /nfs/dbraw/zinc/33/28/38/989332838.db2.gz RRSJZOQZFFCSDO-UHFFFAOYSA-N 0 1 220.251 2.193 20 0 BEADMN Cc1ncn(-c2cc(F)cc(N)c2Cl)c1N ZINC001249649830 989336625 /nfs/dbraw/zinc/33/66/25/989336625.db2.gz XANOONIEKRUNLL-UHFFFAOYSA-N 0 1 240.669 2.138 20 0 BEADMN CC1CC(CN2CCOC[C@@H]2c2cccn2C)C1 ZINC001119737395 989375657 /nfs/dbraw/zinc/37/56/57/989375657.db2.gz BBJMIUDYHUKNTR-SSDMNJCBSA-N 0 1 248.370 2.445 20 0 BEADMN COC/C(C)=C/CN[C@H](COC)c1ccco1 ZINC001119809883 989415035 /nfs/dbraw/zinc/41/50/35/989415035.db2.gz HHGUQWBRGFGGLK-IGEMTJHASA-N 0 1 239.315 2.149 20 0 BEADMN CCn1cc(CN2CC[C@]3(CC[C@H](C)C3)C2)nn1 ZINC001119806455 989415944 /nfs/dbraw/zinc/41/59/44/989415944.db2.gz RVNXDGWTWXEAOX-JSGCOSHPSA-N 0 1 248.374 2.310 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC001603503247 989425330 /nfs/dbraw/zinc/42/53/30/989425330.db2.gz AGZOMKSKMPBVNR-RYUDHWBXSA-N 0 1 248.326 2.328 20 0 BEADMN CC(C)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001519560083 989427425 /nfs/dbraw/zinc/42/74/25/989427425.db2.gz NGTBAIXXYQOGLJ-UHFFFAOYSA-N 0 1 236.193 2.128 20 0 BEADMN FC(F)(F)CCCN1CCSCC1 ZINC001120007855 989560243 /nfs/dbraw/zinc/56/02/43/989560243.db2.gz YTYDHFOBRPGNAW-UHFFFAOYSA-N 0 1 213.268 2.378 20 0 BEADMN O=C([O-])C[N@H+](Cc1cccn1C1CC1)CC1CC1 ZINC001326417177 989550535 /nfs/dbraw/zinc/55/05/35/989550535.db2.gz ICITVYREEVYDKM-UHFFFAOYSA-N 0 1 248.326 2.120 20 0 BEADMN CC(C)c1nc(-c2nc([C@@H]3CCCN3)no2)c[nH]1 ZINC001326486514 989579698 /nfs/dbraw/zinc/57/96/98/989579698.db2.gz OORNPVTUFAWBKP-QMMMGPOBSA-N 0 1 247.302 2.008 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC[C@@H](F)C2)s1 ZINC001120057755 989580786 /nfs/dbraw/zinc/58/07/86/989580786.db2.gz JKLYPFIURIGZHQ-RKDXNWHRSA-N 0 1 243.351 2.471 20 0 BEADMN CN(CCC(C)(C)C)CN1CC2(CC2)CC1=O ZINC001326486698 989582462 /nfs/dbraw/zinc/58/24/62/989582462.db2.gz PVNBBLJXUYOBCM-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN FC[C@@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC001120064585 989585220 /nfs/dbraw/zinc/58/52/20/989585220.db2.gz VQTMVAZQTCIMQH-NSHDSACASA-N 0 1 237.322 2.400 20 0 BEADMN Cc1cc(CNc2n[nH]c(C(C)C)c2C)n[nH]1 ZINC001326597309 989623898 /nfs/dbraw/zinc/62/38/98/989623898.db2.gz AMDARBLTCBIORR-UHFFFAOYSA-N 0 1 233.319 2.485 20 0 BEADMN C[C@H](Nc1ccnc(N)n1)C1CCC(F)CC1 ZINC001120863044 989929778 /nfs/dbraw/zinc/92/97/78/989929778.db2.gz QGWZDGWGHOBZDB-IDKOKCKLSA-N 0 1 238.310 2.388 20 0 BEADMN Cc1cc(C[C@H](C)Nc2ncccc2F)[nH]n1 ZINC001120908928 989964176 /nfs/dbraw/zinc/96/41/76/989964176.db2.gz BBSAHXFGLCRQBO-QMMMGPOBSA-N 0 1 234.278 2.295 20 0 BEADMN C[C@@H]1CC[C@@H](Nc2nccnc2CN)C[C@H]1C ZINC001120921147 989969531 /nfs/dbraw/zinc/96/95/31/989969531.db2.gz LGHBLHMOKZBAEG-GMTAPVOTSA-N 0 1 234.347 2.172 20 0 BEADMN Cc1ccccc1[C@@H](C)Nc1nccnc1CN ZINC001120956343 989987347 /nfs/dbraw/zinc/98/73/47/989987347.db2.gz ZAPCHRXOIYTTAH-LLVKDONJSA-N 0 1 242.326 2.417 20 0 BEADMN CCc1cc(C)nc(NCc2n[nH]c(C)c2C)n1 ZINC001120958260 989987591 /nfs/dbraw/zinc/98/75/91/989987591.db2.gz MJJSVIATKPERBW-UHFFFAOYSA-N 0 1 245.330 2.299 20 0 BEADMN CC1(C)C[C@H](Nc2ccnc(N)n2)CCS1 ZINC001120965423 989989660 /nfs/dbraw/zinc/98/96/60/989989660.db2.gz JQKMJXWTAYMQLX-MRVPVSSYSA-N 0 1 238.360 2.145 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1nnc[nH]1 ZINC001526292686 990122607 /nfs/dbraw/zinc/12/26/07/990122607.db2.gz JZGYTUNHVWNWHD-DBIOUOCHSA-N 0 1 249.314 2.235 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001526367120 990130565 /nfs/dbraw/zinc/13/05/65/990130565.db2.gz JKVZQNGFCPBZBQ-XYYAHUGASA-N 0 1 237.343 2.062 20 0 BEADMN CC1(C(=O)OCc2ccc3[nH]nnc3c2)CCC1 ZINC001122413563 990379085 /nfs/dbraw/zinc/37/90/85/990379085.db2.gz SROYOMPRODRUEH-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN CC1(C(=O)OCc2ccc3nn[nH]c3c2)CCC1 ZINC001122413563 990379091 /nfs/dbraw/zinc/37/90/91/990379091.db2.gz SROYOMPRODRUEH-UHFFFAOYSA-N 0 1 245.282 2.191 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H](C)CC(C)C ZINC001122568837 990416875 /nfs/dbraw/zinc/41/68/75/990416875.db2.gz MCGLOSRBEIOICM-QMMMGPOBSA-N 0 1 210.277 2.310 20 0 BEADMN Cc1cc(CCC(=O)N2CCCCCC2)n[nH]1 ZINC001540408528 990619477 /nfs/dbraw/zinc/61/94/77/990619477.db2.gz NUGHINLLJOLZKA-UHFFFAOYSA-N 0 1 235.331 2.053 20 0 BEADMN Cc1cc(CCC(=O)NCCCC(C)C)n[nH]1 ZINC001540806385 990647305 /nfs/dbraw/zinc/64/73/05/990647305.db2.gz NVIALTMNZGVHNN-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3F)cc2[nH]1 ZINC001123748976 990659044 /nfs/dbraw/zinc/65/90/44/990659044.db2.gz RRYXZLGGEYHAJP-RKDXNWHRSA-N 0 1 233.246 2.168 20 0 BEADMN CC(C)C(CNC(=O)c1[nH]ncc1F)C(C)C ZINC001556258213 990816021 /nfs/dbraw/zinc/81/60/21/990816021.db2.gz YJTMLJUTNJEBCT-UHFFFAOYSA-N 0 1 241.310 2.207 20 0 BEADMN Cc1cccc(CN2C[C@@H]3C[C@H]2CN3C)c1F ZINC001137678934 990839548 /nfs/dbraw/zinc/83/95/48/990839548.db2.gz UJADQLVRMMTZTN-STQMWFEESA-N 0 1 234.318 2.022 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cn1 ZINC001137741620 990846750 /nfs/dbraw/zinc/84/67/50/990846750.db2.gz KZJSTKVYDIVIFB-DCAQKATOSA-N 0 1 224.254 2.153 20 0 BEADMN CO[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H]1F ZINC001137847993 990861138 /nfs/dbraw/zinc/86/11/38/990861138.db2.gz OCFBBADEKAWEQC-UONOGXRCSA-N 0 1 237.318 2.472 20 0 BEADMN CC(C)CCC(=O)OCc1ccc2[nH]nnc2c1 ZINC000117090388 990870172 /nfs/dbraw/zinc/87/01/72/990870172.db2.gz UWNYHHYATYZGJW-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN CC(C)CCC(=O)OCc1ccc2nn[nH]c2c1 ZINC000117090388 990870173 /nfs/dbraw/zinc/87/01/73/990870173.db2.gz UWNYHHYATYZGJW-UHFFFAOYSA-N 0 1 247.298 2.437 20 0 BEADMN C[C@H](CNC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001138106675 990883317 /nfs/dbraw/zinc/88/33/17/990883317.db2.gz VOBSPLMCNDXVCF-SECBINFHSA-N 0 1 247.273 2.082 20 0 BEADMN CC(C)=CCC[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001590922203 990917887 /nfs/dbraw/zinc/91/78/87/990917887.db2.gz TZTKDOKWBJXONQ-NSHDSACASA-N 0 1 243.372 2.092 20 0 BEADMN Cc1cc(CCC(=O)N2C[C@@H](C)CC2(C)C)n[nH]1 ZINC001558126000 990923966 /nfs/dbraw/zinc/92/39/66/990923966.db2.gz CXCNHCGOSYXCSM-JTQLQIEISA-N 0 1 249.358 2.298 20 0 BEADMN CCc1ncc(CNC(=O)[C@]2(C)CC=CCC2)[nH]1 ZINC001558497202 990950699 /nfs/dbraw/zinc/95/06/99/990950699.db2.gz FGTIAHFGWCBNHK-CQSZACIVSA-N 0 1 247.342 2.335 20 0 BEADMN CC(C)C[C@@H](C)C[C@H](C)N1CCO[C@@H](CO)C1 ZINC001258062679 990955644 /nfs/dbraw/zinc/95/56/44/990955644.db2.gz LFLTUSBUQNSEAH-HZSPNIEDSA-N 0 1 243.391 2.140 20 0 BEADMN CC(C)C[C@H](C)C[C@H](C)N1CC(=O)N[C@H](C)C1 ZINC001258066952 990962981 /nfs/dbraw/zinc/96/29/81/990962981.db2.gz XYOWLMCXMSOKGS-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)c1ncc(CNC(=O)c2ccoc2)[nH]1 ZINC001558561431 990965596 /nfs/dbraw/zinc/96/55/96/990965596.db2.gz RIZXVVJSJDXPRS-UHFFFAOYSA-N 0 1 233.271 2.056 20 0 BEADMN CCC1(NCc2nn(C)cc2Cl)CCC1 ZINC001308303145 990966372 /nfs/dbraw/zinc/96/63/72/990966372.db2.gz MFEONAVNOSOFCA-UHFFFAOYSA-N 0 1 227.739 2.496 20 0 BEADMN CSCCCc1nc([C@@H](N)C(C)C)no1 ZINC000401472026 990967416 /nfs/dbraw/zinc/96/74/16/990967416.db2.gz INLVZOZYVAEKIP-VIFPVBQESA-N 0 1 229.349 2.021 20 0 BEADMN Cc1cc(C[NH+]2CC3(CN(C)C3)C2)c(C)s1 ZINC001138571612 990976407 /nfs/dbraw/zinc/97/64/07/990976407.db2.gz PLJHGGCVVNIIQK-UHFFFAOYSA-N 0 1 236.384 2.112 20 0 BEADMN C[C@H]1CCN1Cc1cnn(-c2ccccc2)c1 ZINC001138599850 990979001 /nfs/dbraw/zinc/97/90/01/990979001.db2.gz LVFJDWPHVTXULS-LBPRGKRZSA-N 0 1 227.311 2.467 20 0 BEADMN COC[C@@H]1COCCN1[C@H](C)CCC=C(C)C ZINC001258096419 990999278 /nfs/dbraw/zinc/99/92/78/990999278.db2.gz PJABRYZISLCXHQ-ZIAGYGMSSA-N 0 1 241.375 2.469 20 0 BEADMN CCn1cnc(Cl)c1CNCCOC(C)C ZINC001308481331 991005422 /nfs/dbraw/zinc/00/54/22/991005422.db2.gz QJOJVQDCDZCNLI-UHFFFAOYSA-N 0 1 245.754 2.071 20 0 BEADMN CCN(Cc1cnc(SC)nc1)C1CC1 ZINC001138700294 991010707 /nfs/dbraw/zinc/01/07/07/991010707.db2.gz DUGRKGHNWWAQSM-UHFFFAOYSA-N 0 1 223.345 2.183 20 0 BEADMN CSc1ncc(CN2CCC[C@H](C)C2)cn1 ZINC001138700386 991013055 /nfs/dbraw/zinc/01/30/55/991013055.db2.gz HZQKEYOIJDXSTJ-JTQLQIEISA-N 0 1 237.372 2.430 20 0 BEADMN c1cc2c(cc1CN1CCC1)CCCO2 ZINC001138713120 991016050 /nfs/dbraw/zinc/01/60/50/991016050.db2.gz USJZIOKTZMSXRS-UHFFFAOYSA-N 0 1 203.285 2.217 20 0 BEADMN CC(C)CCCCNc1nccnc1CN ZINC001559112989 991033017 /nfs/dbraw/zinc/03/30/17/991033017.db2.gz UDDHVHSCCIABLU-UHFFFAOYSA-N 0 1 222.336 2.174 20 0 BEADMN CCN(CC)Cc1ccnn1[C@H]1CCCCO1 ZINC001138774003 991041968 /nfs/dbraw/zinc/04/19/68/991041968.db2.gz WJZZJVLCIPZKEG-CYBMUJFWSA-N 0 1 237.347 2.424 20 0 BEADMN CCN(CC)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138774004 991042300 /nfs/dbraw/zinc/04/23/00/991042300.db2.gz WJZZJVLCIPZKEG-ZDUSSCGKSA-N 0 1 237.347 2.424 20 0 BEADMN CC1(C)[C@@H]2CN(Cc3cccnc3F)C[C@@H]21 ZINC001138787072 991044389 /nfs/dbraw/zinc/04/43/89/991044389.db2.gz BSRNNIWSZGWGMI-PHIMTYICSA-N 0 1 220.291 2.309 20 0 BEADMN Fc1ncccc1CN1C[C@H]2CC[C@@H]1C2 ZINC001138792833 991057539 /nfs/dbraw/zinc/05/75/39/991057539.db2.gz ALESIMSUOKQEFI-GXSJLCMTSA-N 0 1 206.264 2.205 20 0 BEADMN ClC=CCNc1nc(Cl)nc2[nH]cnc21 ZINC001559296739 991065796 /nfs/dbraw/zinc/06/57/96/991065796.db2.gz DFYKWSMLSBSSNC-OWOJBTEDSA-N 0 1 244.085 2.122 20 0 BEADMN O[C@@H]1CN(Cc2ccc3occc3c2)CC[C@H]1F ZINC001138822353 991072895 /nfs/dbraw/zinc/07/28/95/991072895.db2.gz CMFMZNFMKTZLQP-CHWSQXEVSA-N 0 1 249.285 2.338 20 0 BEADMN O[C@@H]1CN(Cc2ccc3occc3c2)CC[C@@H]1F ZINC001138822355 991075085 /nfs/dbraw/zinc/07/50/85/991075085.db2.gz CMFMZNFMKTZLQP-QWHCGFSZSA-N 0 1 249.285 2.338 20 0 BEADMN Cc1cc(CN2CCC[C@@](C)(F)CC2)nn1C ZINC001138826672 991080886 /nfs/dbraw/zinc/08/08/86/991080886.db2.gz NRZDPIBTOXQPFB-CYBMUJFWSA-N 0 1 239.338 2.443 20 0 BEADMN Cc1cc(CN(C)CC2CC(F)(F)C2)nn1C ZINC001138831167 991081400 /nfs/dbraw/zinc/08/14/00/991081400.db2.gz XBFIPLTXQAXQBN-UHFFFAOYSA-N 0 1 243.301 2.206 20 0 BEADMN C[C@@H](Cc1ccco1)NC1(c2cnccn2)CC1 ZINC001258181390 991082747 /nfs/dbraw/zinc/08/27/47/991082747.db2.gz BQSAAHRDJGIAOV-NSHDSACASA-N 0 1 243.310 2.280 20 0 BEADMN C[C@@H](Cc1ccco1)N1C[C@@H](C)O[C@H](C)C1 ZINC001258184456 991084574 /nfs/dbraw/zinc/08/45/74/991084574.db2.gz BXFGXUSMFICJID-QJPTWQEYSA-N 0 1 223.316 2.320 20 0 BEADMN CN(C)Cc1ccccc1OC(F)F ZINC001138907082 991094425 /nfs/dbraw/zinc/09/44/25/991094425.db2.gz UNKMJDGNZNPDGK-UHFFFAOYSA-N 0 1 201.216 2.350 20 0 BEADMN C[C@H](Cc1ccco1)N1CCOCC1(C)C ZINC001258191314 991101637 /nfs/dbraw/zinc/10/16/37/991101637.db2.gz AQAQFIRGQAPLMH-LLVKDONJSA-N 0 1 223.316 2.321 20 0 BEADMN C[C@@H](Cc1ccco1)N(C)Cc1cnccn1 ZINC001258193109 991107123 /nfs/dbraw/zinc/10/71/23/991107123.db2.gz UAIFGUWZAGLXCK-NSHDSACASA-N 0 1 231.299 2.133 20 0 BEADMN Cc1ccc(Cl)c(SCc2nn[nH]n2)c1 ZINC001559462877 991109582 /nfs/dbraw/zinc/10/95/82/991109582.db2.gz WZCOUYFMXGZSGJ-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN C[C@H](Cc1ccco1)N1CCc2cnn(C)c2C1 ZINC001258196775 991111229 /nfs/dbraw/zinc/11/12/29/991111229.db2.gz ZRRNNLGZGLTKDA-LLVKDONJSA-N 0 1 245.326 2.002 20 0 BEADMN C[C@@H](Cc1ccco1)N1CCc2c(ncn2C)C1 ZINC001258196192 991112221 /nfs/dbraw/zinc/11/22/21/991112221.db2.gz VXYIMVMAEIYSLV-NSHDSACASA-N 0 1 245.326 2.002 20 0 BEADMN Cc1c[nH]c(CN(C2CCC2)C2CCOCC2)n1 ZINC001138943026 991113834 /nfs/dbraw/zinc/11/38/34/991113834.db2.gz SKQOBJBGGGTGDU-UHFFFAOYSA-N 0 1 249.358 2.252 20 0 BEADMN CCCn1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cn1 ZINC001139039868 991127150 /nfs/dbraw/zinc/12/71/50/991127150.db2.gz CXSZGOIWJAOACY-AVGNSLFASA-N 0 1 237.322 2.225 20 0 BEADMN CCCn1cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cn1 ZINC001139040268 991128338 /nfs/dbraw/zinc/12/83/38/991128338.db2.gz CXSZGOIWJAOACY-RWMBFGLXSA-N 0 1 237.322 2.225 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001308780836 991131483 /nfs/dbraw/zinc/13/14/83/991131483.db2.gz RZPMNUAJCFKVRL-INTQDDNPSA-N 0 1 203.276 2.462 20 0 BEADMN FCC(CF)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001308780837 991133419 /nfs/dbraw/zinc/13/34/19/991133419.db2.gz RZPMNUAJCFKVRL-LSJOCFKGSA-N 0 1 203.276 2.462 20 0 BEADMN CCCc1nc(C)c(CNC[C@@H](C)OC)o1 ZINC001308804045 991139781 /nfs/dbraw/zinc/13/97/81/991139781.db2.gz XTFDGVBJSBKIQX-SECBINFHSA-N 0 1 226.320 2.060 20 0 BEADMN Cc1cn(C)nc1CN1CC(C)(C)[C@H]1C1CC1 ZINC001308802872 991141552 /nfs/dbraw/zinc/14/15/52/991141552.db2.gz NIWWMBYDPDKINE-CYBMUJFWSA-N 0 1 233.359 2.349 20 0 BEADMN COC(=O)[C@@H]1CCCCN1[C@@H](C)CCSC ZINC001258216347 991142382 /nfs/dbraw/zinc/14/23/82/991142382.db2.gz XOXILVGNISFRPJ-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN COc1ccc(CN2CCC[C@@H]2C)nc1OC ZINC001139099529 991149730 /nfs/dbraw/zinc/14/97/30/991149730.db2.gz AGRQEDBCKJMJBZ-JTQLQIEISA-N 0 1 236.315 2.083 20 0 BEADMN CCn1ccc2ccc(CN3CC(CO)C3)cc21 ZINC001139122899 991153651 /nfs/dbraw/zinc/15/36/51/991153651.db2.gz PDLQIJBUYAUADS-UHFFFAOYSA-N 0 1 244.338 2.085 20 0 BEADMN CN(Cc1ccc2c(ccn2C)c1)C1(C)COC1 ZINC001139189576 991183875 /nfs/dbraw/zinc/18/38/75/991183875.db2.gz FQEGIDMCFRIFJT-UHFFFAOYSA-N 0 1 244.338 2.399 20 0 BEADMN Fc1cccc(/C=C\CNCc2ncc[nH]2)c1 ZINC001308890069 991199448 /nfs/dbraw/zinc/19/94/48/991199448.db2.gz TZKMRJGBIWZXGZ-RQOWECAXSA-N 0 1 231.274 2.352 20 0 BEADMN FC[C@H]1CCCN1Cc1ccc2nonc2c1 ZINC001139224801 991203157 /nfs/dbraw/zinc/20/31/57/991203157.db2.gz LQRCOKSDWMEBCV-SNVBAGLBSA-N 0 1 235.262 2.157 20 0 BEADMN Nc1ncc(CN2CC3(C2)CCCCC3)s1 ZINC001139231559 991211548 /nfs/dbraw/zinc/21/15/48/991211548.db2.gz WHXLWPJGCIRVAZ-UHFFFAOYSA-N 0 1 237.372 2.491 20 0 BEADMN C1=CCN(Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139341830 991225197 /nfs/dbraw/zinc/22/51/97/991225197.db2.gz FWPHNNKDRUWYSW-UHFFFAOYSA-N 0 1 243.354 2.444 20 0 BEADMN Cc1ccc([C@H](C)NCC2=NOCC2)s1 ZINC001559724784 991230451 /nfs/dbraw/zinc/23/04/51/991230451.db2.gz HGXOWBBEAJRJTK-VIFPVBQESA-N 0 1 224.329 2.483 20 0 BEADMN CCN(CC(=O)OC)[C@H]1CCCC(C)(C)C1 ZINC001258298551 991235875 /nfs/dbraw/zinc/23/58/75/991235875.db2.gz QBQXDTDJIGCLHM-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCCCN(CCC)[C@@H](COC)C(=O)OCC ZINC001559749377 991240728 /nfs/dbraw/zinc/24/07/28/991240728.db2.gz OKBJEDDJJFYONG-LBPRGKRZSA-N 0 1 245.363 2.077 20 0 BEADMN O=c1ccc(CN2CCCC[C@H](F)C2)c[nH]1 ZINC001139463709 991246348 /nfs/dbraw/zinc/24/63/48/991246348.db2.gz KWYPRTVCXFVAAI-NSHDSACASA-N 0 1 224.279 2.111 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc(=O)[nH]c2)cn1 ZINC001139469259 991251509 /nfs/dbraw/zinc/25/15/09/991251509.db2.gz MXEAHEZPWSAITR-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CCOc1ccc(C)cc1CN1CC(COC)C1 ZINC001139602246 991287835 /nfs/dbraw/zinc/28/78/35/991287835.db2.gz HOZFYGGHNXWCLS-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN Cc1nc2cc(C)ccn2c1CN1CC(C)C1 ZINC001139675532 991312460 /nfs/dbraw/zinc/31/24/60/991312460.db2.gz UJVZQVRIYFGXQS-UHFFFAOYSA-N 0 1 229.327 2.403 20 0 BEADMN C[C@@H](O)[C@H](C)N1CCc2cccc(Cl)c2C1 ZINC001559897946 991313963 /nfs/dbraw/zinc/31/39/63/991313963.db2.gz BUVPJLLOXWASGA-VHSXEESVSA-N 0 1 239.746 2.467 20 0 BEADMN COc1cncc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC001559971163 991349613 /nfs/dbraw/zinc/34/96/13/991349613.db2.gz BSHPZNIMZFLFJJ-TZMCWYRMSA-N 0 1 232.327 2.465 20 0 BEADMN CCCCC[C@@H](CC)N1CC(=O)NC[C@H]1C ZINC001258443447 991387461 /nfs/dbraw/zinc/38/74/61/991387461.db2.gz MSRFZUCBXDOTCU-VXGBXAGGSA-N 0 1 226.364 2.166 20 0 BEADMN Fc1cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccn1 ZINC001139836349 991395958 /nfs/dbraw/zinc/39/59/58/991395958.db2.gz IUGUCSJHSCNSCY-DCAQKATOSA-N 0 1 224.254 2.011 20 0 BEADMN FC(F)(F)CCN1CC[C@@H](c2cnccn2)C1 ZINC001560177557 991406061 /nfs/dbraw/zinc/40/60/61/991406061.db2.gz XVUCYWWJQDGSNE-SECBINFHSA-N 0 1 245.248 2.218 20 0 BEADMN C[C@@H](CC1CC1)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001258457381 991408660 /nfs/dbraw/zinc/40/86/60/991408660.db2.gz WQWDEJUFPSLTCY-JTQLQIEISA-N 0 1 233.311 2.353 20 0 BEADMN C[C@@H](CC1CC1)N[C@H]1NC(=O)c2ccccc21 ZINC001258455766 991409897 /nfs/dbraw/zinc/40/98/97/991409897.db2.gz WFZMGWMZFBKWPF-ZANVPECISA-N 0 1 230.311 2.207 20 0 BEADMN C[C@@H](CC1CC1)N[C@@H]1NC(=O)c2ccccc21 ZINC001258455765 991410434 /nfs/dbraw/zinc/41/04/34/991410434.db2.gz WFZMGWMZFBKWPF-TVQRCGJNSA-N 0 1 230.311 2.207 20 0 BEADMN C[C@H](CC1CC1)n1c(CN)nc2cnccc21 ZINC001258457258 991410748 /nfs/dbraw/zinc/41/07/48/991410748.db2.gz VGCKSJVNYKPBJL-SECBINFHSA-N 0 1 230.315 2.251 20 0 BEADMN CCN(Cc1ccc(OC)nc1OC)C1CC1 ZINC001139916882 991417401 /nfs/dbraw/zinc/41/74/01/991417401.db2.gz CUEYPZRLRSAMGQ-UHFFFAOYSA-N 0 1 236.315 2.083 20 0 BEADMN CCC(C)(C)CC(=O)NCCCN(C)CCF ZINC001316826885 991418857 /nfs/dbraw/zinc/41/88/57/991418857.db2.gz GDXZDBCJJNRVDM-UHFFFAOYSA-N 0 1 246.370 2.220 20 0 BEADMN C[C@@H](CC1CC1)N1CC(Oc2cccnc2)C1 ZINC001258464760 991423341 /nfs/dbraw/zinc/42/33/41/991423341.db2.gz UXVWFRSPJCTTLD-NSHDSACASA-N 0 1 232.327 2.333 20 0 BEADMN CCCO[C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC001139931712 991424021 /nfs/dbraw/zinc/42/40/21/991424021.db2.gz VMOJLGGWPONBEZ-AWEZNQCLSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccc(CN2CCc3ccncc3C2)cn1 ZINC001139932887 991424170 /nfs/dbraw/zinc/42/41/70/991424170.db2.gz WVVSCYWPEAHSFQ-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN CCN(Cc1ccccc1)Cc1cccnn1 ZINC001139968669 991435680 /nfs/dbraw/zinc/43/56/80/991435680.db2.gz VEWDTYWOJHWBKH-UHFFFAOYSA-N 0 1 227.311 2.499 20 0 BEADMN Cc1n[nH]cc1CNCc1cc(C)nc(C)c1 ZINC001560262380 991445406 /nfs/dbraw/zinc/44/54/06/991445406.db2.gz BBWBUDZKNGRHBX-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN CC(C)n1c(CN[C@@H](C)CO)nc2ccccc21 ZINC001560360894 991460506 /nfs/dbraw/zinc/46/05/06/991460506.db2.gz BYHPJFURBVMBFV-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN C[C@H](NCc1cnsc1)c1ccc[nH]1 ZINC001560427816 991471502 /nfs/dbraw/zinc/47/15/02/991471502.db2.gz OYEADGOPWSXBJN-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN CC(C)(C)C1CCN(Cc2nccnc2N)CC1 ZINC001140008234 991478660 /nfs/dbraw/zinc/47/86/60/991478660.db2.gz NUUUYISVXSQSEX-UHFFFAOYSA-N 0 1 248.374 2.317 20 0 BEADMN CCCC1CCC(N2CC(=O)N[C@H](C)C2)CC1 ZINC001258530839 991480427 /nfs/dbraw/zinc/48/04/27/991480427.db2.gz NMNNUXQSSWWTRO-PNESKVBLSA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C)CC[C@H]([NH2+]CCCC[P@](=O)([O-])O)C1 ZINC001258595851 991488499 /nfs/dbraw/zinc/48/84/99/991488499.db2.gz NDJAILHDWZMFPS-JTQLQIEISA-N 0 1 249.291 2.113 20 0 BEADMN CCCN(C)Cc1ccnc(SC)n1 ZINC001140033411 991490207 /nfs/dbraw/zinc/49/02/07/991490207.db2.gz XSFNMUYYKUOCFQ-UHFFFAOYSA-N 0 1 211.334 2.040 20 0 BEADMN CSc1nccc(CN2CCC[C@H](C)C2)n1 ZINC001140033226 991491105 /nfs/dbraw/zinc/49/11/05/991491105.db2.gz UKRBTAQAVPUZKA-JTQLQIEISA-N 0 1 237.372 2.430 20 0 BEADMN C[C@@H](COCC1CC1)NCc1cnsc1 ZINC001560524616 991492940 /nfs/dbraw/zinc/49/29/40/991492940.db2.gz STOGGJALQRCMNT-VIFPVBQESA-N 0 1 226.345 2.048 20 0 BEADMN C[C@@]1(O)CCN(Cc2ccc(O)cc2Cl)C1 ZINC001140082353 991513648 /nfs/dbraw/zinc/51/36/48/991513648.db2.gz SUFLNDHAFKMUBE-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN COc1ccc2n[nH]c(CN3CCCCO3)c2c1 ZINC001140065350 991513907 /nfs/dbraw/zinc/51/39/07/991513907.db2.gz FKUHBPFMASWRPV-UHFFFAOYSA-N 0 1 247.298 2.099 20 0 BEADMN Cn1ncc2c1CN([C@@H]1CCC(C)(C)C1)CC2 ZINC001258606718 991521858 /nfs/dbraw/zinc/52/18/58/991521858.db2.gz BAANPXBJNRTWFM-GFCCVEGCSA-N 0 1 233.359 2.357 20 0 BEADMN Cc1coc(CN[C@@H](C)Cc2cccnc2)n1 ZINC001258609713 991533556 /nfs/dbraw/zinc/53/35/56/991533556.db2.gz TWFODSBKIVCSGS-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN CSCCN(C)Cc1cccc(F)n1 ZINC001140135622 991537088 /nfs/dbraw/zinc/53/70/88/991537088.db2.gz KXHWFLKBUSVCGO-UHFFFAOYSA-N 0 1 214.309 2.016 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001258623909 991555960 /nfs/dbraw/zinc/55/59/60/991555960.db2.gz JWAAXIYZPORGIF-VZZFWQQMSA-N 0 1 234.318 2.302 20 0 BEADMN Cc1cc(CN(C)CCF)c(C)cc1O ZINC001140204597 991560555 /nfs/dbraw/zinc/56/05/55/991560555.db2.gz YMZZHXGTSVTMGP-UHFFFAOYSA-N 0 1 211.280 2.410 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCCCC12COC2 ZINC001258627860 991563145 /nfs/dbraw/zinc/56/31/45/991563145.db2.gz LNOMGFRCFXGIQU-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@H]1CCN(Cc2cn(C3CC3)cn2)C1 ZINC001560697151 991565527 /nfs/dbraw/zinc/56/55/27/991565527.db2.gz OLIRRLYNVCHCHE-JTQLQIEISA-N 0 1 205.305 2.060 20 0 BEADMN C[C@@H](Cc1cccnc1)N1C[C@@H](C)OC[C@H]1C ZINC001258635163 991577454 /nfs/dbraw/zinc/57/74/54/991577454.db2.gz XXHODGNNSDENHS-YNEHKIRRSA-N 0 1 234.343 2.122 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@@H](C)Cc1cccnc1 ZINC001258633785 991577912 /nfs/dbraw/zinc/57/79/12/991577912.db2.gz JUFIDMRDYGHAFH-WFASDCNBSA-N 0 1 246.354 2.456 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1ccncc1[O-] ZINC001140276038 991587666 /nfs/dbraw/zinc/58/76/66/991587666.db2.gz ZVNQTFAFBMDZSO-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CCC2(CCC2)C1 ZINC001140276563 991590966 /nfs/dbraw/zinc/59/09/66/991590966.db2.gz GJEFLARQJYXLCR-UHFFFAOYSA-N 0 1 218.300 2.163 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(CO)cs2)[C@H]1C ZINC001560772861 991595535 /nfs/dbraw/zinc/59/55/35/991595535.db2.gz JMFTWYHSXSPOOZ-VHSXEESVSA-N 0 1 240.372 2.256 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccncc2[O-])[C@H]1C ZINC001140277814 991596616 /nfs/dbraw/zinc/59/66/16/991596616.db2.gz MXJGASDWGIIUHW-QWRGUYRKSA-N 0 1 220.316 2.408 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1ccncc1[O-] ZINC001140280161 991600468 /nfs/dbraw/zinc/60/04/68/991600468.db2.gz CIDYTXWAHFARRF-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN Cc1ccc(CN(C)Cc2ccncc2O)cn1 ZINC001140281988 991605730 /nfs/dbraw/zinc/60/57/30/991605730.db2.gz LGLGMAAKICJRKE-UHFFFAOYSA-N 0 1 243.310 2.123 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001591088132 991619188 /nfs/dbraw/zinc/61/91/88/991619188.db2.gz ZVRVIBSZTSUHBB-LBPRGKRZSA-N 0 1 236.315 2.333 20 0 BEADMN Fc1cnccc1CNC/C=C\C1CC1 ZINC001560857844 991629824 /nfs/dbraw/zinc/62/98/24/991629824.db2.gz GVFMMCYPXRXZLS-UPHRSURJSA-N 0 1 206.264 2.277 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2n[nH]cc2c1 ZINC001140385395 991630365 /nfs/dbraw/zinc/63/03/65/991630365.db2.gz ZXRHOALHWUYEJG-BXKDBHETSA-N 0 1 233.290 2.495 20 0 BEADMN Cc1nnc(CN)n1[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258695059 991632075 /nfs/dbraw/zinc/63/20/75/991632075.db2.gz YCAVXXJFDPRFNB-ONGXEEELSA-N 0 1 236.363 2.433 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC001591092574 991643693 /nfs/dbraw/zinc/64/36/93/991643693.db2.gz QTNLFCIJSSGTTR-OLZOCXBDSA-N 0 1 248.326 2.185 20 0 BEADMN Cc1[nH]c(C[N@H+](C)CC(C)C)c(C)c1C(=O)[O-] ZINC001140493626 991655205 /nfs/dbraw/zinc/65/52/05/991655205.db2.gz GMRPGPMNRMBURE-UHFFFAOYSA-N 0 1 238.331 2.418 20 0 BEADMN Cc1c(F)nccc1CNCc1ccnc(F)c1 ZINC001560954040 991667139 /nfs/dbraw/zinc/66/71/39/991667139.db2.gz DTZUJGIYKHAQSI-UHFFFAOYSA-N 0 1 249.264 2.353 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])o1 ZINC001591095427 991679888 /nfs/dbraw/zinc/67/98/88/991679888.db2.gz VELVTSFNDUHMTH-JTQLQIEISA-N 0 1 223.272 2.208 20 0 BEADMN CCCC[C@H](CCC)[NH2+]CC[P@](=O)([O-])O ZINC001258755271 991696009 /nfs/dbraw/zinc/69/60/09/991696009.db2.gz JLLJQRJPEKQMRD-JTQLQIEISA-N 0 1 237.280 2.113 20 0 BEADMN CCCC[C@H](CCC)N1C[C@@H](F)C[C@H]1C(N)=O ZINC001258762859 991720495 /nfs/dbraw/zinc/72/04/95/991720495.db2.gz DLGUCZRJOQNWEG-SRVKXCTJSA-N 0 1 244.354 2.243 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(C(C)(C)C)CC1 ZINC001318985878 991756385 /nfs/dbraw/zinc/75/63/85/991756385.db2.gz IPQWBODUCVGKAY-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H](C)C[C@H](CC)N1CCn2nncc2C1 ZINC001258798121 991792428 /nfs/dbraw/zinc/79/24/28/991792428.db2.gz QWJGRRSMZMROBX-NEPJUHHUSA-N 0 1 236.363 2.309 20 0 BEADMN CC(=CC(=O)NCc1cc(C)[nH]n1)c1ccco1 ZINC001565726793 991801441 /nfs/dbraw/zinc/80/14/41/991801441.db2.gz BCKRUYOJTFAVEW-RMKNXTFCSA-N 0 1 245.282 2.031 20 0 BEADMN C[C@H]1CCC[C@H](NCc2ncc(F)cn2)C1 ZINC001258806986 991807572 /nfs/dbraw/zinc/80/75/72/991807572.db2.gz CUATVZQNKZMPEU-ONGXEEELSA-N 0 1 223.295 2.284 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)CCc1cc(C)[nH]n1 ZINC001565810775 991808655 /nfs/dbraw/zinc/80/86/55/991808655.db2.gz TUAYANZKBLVELF-KOLCDFICSA-N 0 1 237.347 2.202 20 0 BEADMN CC(C)OC(=O)CN(C(C)C)C1CCC1 ZINC001319390138 991856910 /nfs/dbraw/zinc/85/69/10/991856910.db2.gz TYKPVTXBHVAESP-UHFFFAOYSA-N 0 1 213.321 2.201 20 0 BEADMN CC(C)N1CCN([C@@H]2CCC[C@H](C)C2)CC1=O ZINC001258829017 991859264 /nfs/dbraw/zinc/85/92/64/991859264.db2.gz VHJMRBPKAIRCKV-QWHCGFSZSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1C[C@H]2C[C@@H](C1)O2 ZINC001258851307 991883180 /nfs/dbraw/zinc/88/31/80/991883180.db2.gz ORYZGCLGVJALOS-SOUVJXGZSA-N 0 1 231.339 2.481 20 0 BEADMN COc1ccccc1C[C@H](C)N1C=C(N)C=CC1 ZINC001258884179 991888959 /nfs/dbraw/zinc/88/89/59/991888959.db2.gz TZHVCNDYXBBUPT-LBPRGKRZSA-N 0 1 244.338 2.298 20 0 BEADMN COc1ccccc1C[C@H](C)[N@H+]1CCOC[C@@H]1C ZINC001258888047 991892124 /nfs/dbraw/zinc/89/21/24/991892124.db2.gz IKXHXLZCWVFIOT-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN COc1ccccc1C[C@H](C)N1CCOC[C@@H]1C ZINC001258888047 991892130 /nfs/dbraw/zinc/89/21/30/991892130.db2.gz IKXHXLZCWVFIOT-STQMWFEESA-N 0 1 249.354 2.347 20 0 BEADMN Cc1nnc(SCCCOC(C)(C)C)[nH]1 ZINC001319573272 991895827 /nfs/dbraw/zinc/89/58/27/991895827.db2.gz UGCOMJOKRUWZFV-UHFFFAOYSA-N 0 1 229.349 2.410 20 0 BEADMN O=S(=O)(Nc1cccc2ccoc21)C1CC1 ZINC001259276424 991940755 /nfs/dbraw/zinc/94/07/55/991940755.db2.gz JQRAVTHDJZZZIX-UHFFFAOYSA-N 0 1 237.280 2.337 20 0 BEADMN C[N@@H+](C[C@H]1CCCC[C@H]1C(=O)[O-])C1CCC1 ZINC001598456471 991941145 /nfs/dbraw/zinc/94/11/45/991941145.db2.gz VQZAKABRMUWRAJ-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN COc1coc(CN2CC3CCC2CC3)cc1=O ZINC001319772130 991973952 /nfs/dbraw/zinc/97/39/52/991973952.db2.gz WIXDVJSZHFPEBW-UHFFFAOYSA-N 0 1 249.310 2.023 20 0 BEADMN Cc1cc(CNCc2nc(C3CC3)cs2)n[nH]1 ZINC001319836587 991996823 /nfs/dbraw/zinc/99/68/23/991996823.db2.gz AJXVFMPEOWNSBD-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1cc(C)[nH]n1 ZINC001319934249 992031644 /nfs/dbraw/zinc/03/16/44/992031644.db2.gz WWIXVRPXTXPGMO-UHFFFAOYSA-N 0 1 239.363 2.355 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC001319924753 992034800 /nfs/dbraw/zinc/03/48/00/992034800.db2.gz LUGUTIIEZZGTRB-UONOGXRCSA-N 0 1 231.343 2.489 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598471957 992039901 /nfs/dbraw/zinc/03/99/01/992039901.db2.gz HEHVQTNWQWBHEQ-RKDXNWHRSA-N 0 1 249.301 2.320 20 0 BEADMN C[N@@H+](CCC(C)(C)C)C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001598471956 992040037 /nfs/dbraw/zinc/04/00/37/992040037.db2.gz HEHVQTNWQWBHEQ-IUCAKERBSA-N 0 1 249.301 2.320 20 0 BEADMN COc1ccc(C)nc1NCc1cc(C)[nH]n1 ZINC001319983283 992060275 /nfs/dbraw/zinc/06/02/75/992060275.db2.gz BOTVDSIJPOYUCA-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CC[C@H](C)CC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001567790358 992095912 /nfs/dbraw/zinc/09/59/12/992095912.db2.gz MOMRULRYYWQUQC-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(CNC(C)(C)c2ccc(C)nc2)[nH]n1 ZINC001320149950 992113396 /nfs/dbraw/zinc/11/33/96/992113396.db2.gz ODUDQWSWNSCBKU-UHFFFAOYSA-N 0 1 244.342 2.446 20 0 BEADMN CC(C)=Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320205651 992130843 /nfs/dbraw/zinc/13/08/43/992130843.db2.gz GFGBJCTVTCPWKW-LLVKDONJSA-N 0 1 233.315 2.302 20 0 BEADMN CC(C)=Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001320205654 992133383 /nfs/dbraw/zinc/13/33/83/992133383.db2.gz GFGBJCTVTCPWKW-NSHDSACASA-N 0 1 233.315 2.302 20 0 BEADMN CC1=CCN(C(=O)c2cnc(C(C)C)[nH]2)CC1 ZINC001320206759 992133689 /nfs/dbraw/zinc/13/36/89/992133689.db2.gz NJTLZTIKYGLCDR-UHFFFAOYSA-N 0 1 233.315 2.325 20 0 BEADMN C/C=C/C=C/c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320213822 992136833 /nfs/dbraw/zinc/13/68/33/992136833.db2.gz VYFZKXUACGSKOH-BBNTXXRWSA-N 0 1 245.326 2.468 20 0 BEADMN CC(C)C[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591287165 992228309 /nfs/dbraw/zinc/22/83/09/992228309.db2.gz JZKZXFMJFPGVMK-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001591320709 992288340 /nfs/dbraw/zinc/28/83/40/992288340.db2.gz XRKGNUSKWREKMX-UWVGGRQHSA-N 0 1 247.285 2.073 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001591320711 992288362 /nfs/dbraw/zinc/28/83/62/992288362.db2.gz XRKGNUSKWREKMX-ZJUUUORDSA-N 0 1 247.285 2.073 20 0 BEADMN CCC/C(C)=C/C(=O)Nc1n[nH]c(CC)n1 ZINC001320713283 992331604 /nfs/dbraw/zinc/33/16/04/992331604.db2.gz GJFPTHVTIAFAPC-BQYQJAHWSA-N 0 1 222.292 2.052 20 0 BEADMN CCCC(C)=CC(=O)Nc1nc(CC)n[nH]1 ZINC001320713283 992331620 /nfs/dbraw/zinc/33/16/20/992331620.db2.gz GJFPTHVTIAFAPC-BQYQJAHWSA-N 0 1 222.292 2.052 20 0 BEADMN c1cnc(CN2CC[C@@H]3CCCC[C@H]3C2)nc1 ZINC001320722739 992333959 /nfs/dbraw/zinc/33/39/59/992333959.db2.gz HKFOFPJKPJYNPW-STQMWFEESA-N 0 1 231.343 2.489 20 0 BEADMN c1cnc(CN2CC[C@@H]3CCCC[C@@H]3C2)nc1 ZINC001320722738 992336381 /nfs/dbraw/zinc/33/63/81/992336381.db2.gz HKFOFPJKPJYNPW-QWHCGFSZSA-N 0 1 231.343 2.489 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C(C)=O)cc1 ZINC001261517772 992362921 /nfs/dbraw/zinc/36/29/21/992362921.db2.gz AKVXBGUKRBJKSU-UHFFFAOYSA-N 0 1 249.310 2.186 20 0 BEADMN CC(C)(C)c1cnc(SCc2nnc[nH]2)o1 ZINC001261596248 992419474 /nfs/dbraw/zinc/41/94/74/992419474.db2.gz WIDGFFUNOPPVAY-UHFFFAOYSA-N 0 1 238.316 2.383 20 0 BEADMN CCCN(Cc1nnc[nH]1)Cc1ccc(F)cc1 ZINC001261637570 992431301 /nfs/dbraw/zinc/43/13/01/992431301.db2.gz YKBPGPMAQFARBI-UHFFFAOYSA-N 0 1 248.305 2.356 20 0 BEADMN COc1cc(C)c(NCc2nnc[nH]2)c(C)c1C ZINC001261647228 992444543 /nfs/dbraw/zinc/44/45/43/992444543.db2.gz NBVRCAREGGYQNY-UHFFFAOYSA-N 0 1 246.314 2.351 20 0 BEADMN CC(C)c1ocnc1C[N@H+]1CCC[C@]1(C)CO ZINC001321059899 992445929 /nfs/dbraw/zinc/44/59/29/992445929.db2.gz LPBWPQDGUILGJY-CYBMUJFWSA-N 0 1 238.331 2.145 20 0 BEADMN CC(C)c1ocnc1CN1CCC[C@]1(C)CO ZINC001321059899 992445944 /nfs/dbraw/zinc/44/59/44/992445944.db2.gz LPBWPQDGUILGJY-CYBMUJFWSA-N 0 1 238.331 2.145 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCO[C@@H](COC(C)C)C1 ZINC001262260973 992823745 /nfs/dbraw/zinc/82/37/45/992823745.db2.gz AIFPUYYOLRVUIA-HZSPNIEDSA-N 0 1 241.375 2.158 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(C2CC2)cn1 ZINC001262346891 992850184 /nfs/dbraw/zinc/85/01/84/992850184.db2.gz JWNUBNLRJXHRIU-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CCN(Cc1ccc(OCCOC)o1)C1CC1 ZINC001262355441 992856466 /nfs/dbraw/zinc/85/64/66/992856466.db2.gz UYFYSUOVQBELKO-UHFFFAOYSA-N 0 1 239.315 2.289 20 0 BEADMN c1csc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC001262360858 992857842 /nfs/dbraw/zinc/85/78/42/992857842.db2.gz SYKDTQIHIGOKIV-QMMMGPOBSA-N 0 1 220.301 2.356 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccc[nH]2)nc1 ZINC001262363990 992861684 /nfs/dbraw/zinc/86/16/84/992861684.db2.gz JLLUZXMXSSMCGE-JTQLQIEISA-N 0 1 231.299 2.269 20 0 BEADMN C[N@@H+](Cc1ncc(C(=O)[O-])s1)C(C)(C)C ZINC001598538330 992867497 /nfs/dbraw/zinc/86/74/97/992867497.db2.gz PYOHNVBQSMTDCI-UHFFFAOYSA-N 0 1 228.317 2.072 20 0 BEADMN CCOc1ccc(CNCCOCC(F)F)o1 ZINC001262481427 992889681 /nfs/dbraw/zinc/88/96/81/992889681.db2.gz RZRMHDZPGKNBLG-UHFFFAOYSA-N 0 1 249.257 2.050 20 0 BEADMN CCN(CC)C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001262560166 992914743 /nfs/dbraw/zinc/91/47/43/992914743.db2.gz IOJXOKOKKIMXLY-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN Cc1ncoc1CNC[C@H](O)CC1CCCC1 ZINC001262578767 992933928 /nfs/dbraw/zinc/93/39/28/992933928.db2.gz YJTAQUYBGBKORB-GFCCVEGCSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1c(C(=O)N(C)C(C)C)n[nH]c1C(F)(F)F ZINC001262591760 992945670 /nfs/dbraw/zinc/94/56/70/992945670.db2.gz WMLYCBOEBZNQHM-UHFFFAOYSA-N 0 1 249.236 2.217 20 0 BEADMN CC[N@@H+](CCNc1cccc(C(C)=O)n1)C1CC1 ZINC001262682090 993021801 /nfs/dbraw/zinc/02/18/01/993021801.db2.gz LTDBNDSCLSRYOA-UHFFFAOYSA-N 0 1 247.342 2.180 20 0 BEADMN C[C@@]1(CNc2ccnc(N)n2)CC1(Cl)Cl ZINC001262698522 993037733 /nfs/dbraw/zinc/03/77/33/993037733.db2.gz WWUPQKATLDTYMW-QMMMGPOBSA-N 0 1 247.129 2.055 20 0 BEADMN C[C@@H]1C[C@H](NC/C=C/C2CC2)c2nccn21 ZINC000379240971 993231846 /nfs/dbraw/zinc/23/18/46/993231846.db2.gz WVAFQMNYDAHVML-AKDQNTJRSA-N 0 1 217.316 2.445 20 0 BEADMN C[C@@H]1C[C@H](NC/C=C\C2CC2)c2nccn21 ZINC000379240974 993234264 /nfs/dbraw/zinc/23/42/64/993234264.db2.gz WVAFQMNYDAHVML-UVWWULRDSA-N 0 1 217.316 2.445 20 0 BEADMN O=C(NC/C=C\C1CC1)c1ccc(F)cc1O ZINC000379276983 993236019 /nfs/dbraw/zinc/23/60/19/993236019.db2.gz ALJCBOCKCWCPAF-UPHRSURJSA-N 0 1 235.258 2.227 20 0 BEADMN O=C(NC/C=C/C1CC1)c1ccc(F)cc1O ZINC000379276981 993236828 /nfs/dbraw/zinc/23/68/28/993236828.db2.gz ALJCBOCKCWCPAF-OWOJBTEDSA-N 0 1 235.258 2.227 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CC[C@@H](C)C1 ZINC001263440228 993316750 /nfs/dbraw/zinc/31/67/50/993316750.db2.gz NDJSBRXATQJEMQ-VXNVDRBHSA-N 0 1 208.261 2.064 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCC1CCC1 ZINC001263448544 993317868 /nfs/dbraw/zinc/31/78/68/993317868.db2.gz IUTIIXGKWSXTGA-UHFFFAOYSA-N 0 1 208.261 2.065 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@@H]1CCCC[C@H]1F ZINC001263499658 993344642 /nfs/dbraw/zinc/34/46/42/993344642.db2.gz NAQVYMKFWWULBC-RKDXNWHRSA-N 0 1 226.251 2.156 20 0 BEADMN CC[C@H](OC(=O)c1[nH]cnc1C)C(F)(F)F ZINC001263506786 993349155 /nfs/dbraw/zinc/34/91/55/993349155.db2.gz HTYYMWXRYZTCBQ-LURJTMIESA-N 0 1 236.193 2.216 20 0 BEADMN CCOC1CC(N[C@@H](C)c2nnc(C)s2)C1 ZINC000381465894 993397042 /nfs/dbraw/zinc/39/70/42/993397042.db2.gz MPFJJWZDLRGCKJ-WFRXLMHJSA-N 0 1 241.360 2.065 20 0 BEADMN COc1cc2nc([C@@H]3CCOC3)[nH]c2cc1F ZINC000586911565 993416985 /nfs/dbraw/zinc/41/69/85/993416985.db2.gz IRDKFXGPEXZTPB-SSDOTTSWSA-N 0 1 236.246 2.215 20 0 BEADMN CCC(=CC(=O)N1CCNC[C@H]1C(C)C)CC ZINC001576924470 993454514 /nfs/dbraw/zinc/45/45/14/993454514.db2.gz ZXWPIMDXDIWVJA-ZDUSSCGKSA-N 0 1 238.375 2.189 20 0 BEADMN CCC(=CC(=O)N1CCNC[C@@H]1C(C)C)CC ZINC001576924468 993455466 /nfs/dbraw/zinc/45/54/66/993455466.db2.gz ZXWPIMDXDIWVJA-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)OC(C)C ZINC000383827255 993514111 /nfs/dbraw/zinc/51/41/11/993514111.db2.gz IMMLTUBYFQDFSE-QWRGUYRKSA-N 0 1 213.321 2.058 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC001577325276 993592067 /nfs/dbraw/zinc/59/20/67/993592067.db2.gz VTWOEMCWHQTUME-MBNYWOFBSA-N 0 1 240.391 2.412 20 0 BEADMN CCOc1ccccc1-c1noc([C@@H]2CCN2)n1 ZINC000384741432 993616292 /nfs/dbraw/zinc/61/62/92/993616292.db2.gz FJHAHVVBAFQMOG-JTQLQIEISA-N 0 1 245.282 2.170 20 0 BEADMN CCOc1cccc(-c2noc([C@@H]3CCN3)n2)c1 ZINC000384743172 993616869 /nfs/dbraw/zinc/61/68/69/993616869.db2.gz GVVZVKXGLGLWLR-NSHDSACASA-N 0 1 245.282 2.170 20 0 BEADMN Cc1ccccc1-c1noc([C@H]2CCN2)n1 ZINC000384823961 993628101 /nfs/dbraw/zinc/62/81/01/993628101.db2.gz TUQOKFWSOHANMV-SNVBAGLBSA-N 0 1 215.256 2.079 20 0 BEADMN CCSC[C@H](C)[NH2+]Cc1ncccc1[O-] ZINC000389933381 993771889 /nfs/dbraw/zinc/77/18/89/993771889.db2.gz LZCWAIKXQUZVON-VIFPVBQESA-N 0 1 226.345 2.018 20 0 BEADMN C[C@@]1(CNCc2nccs2)CCCC[C@@H]1O ZINC000390425744 993789394 /nfs/dbraw/zinc/78/93/94/993789394.db2.gz MGNQPODTZXKXIF-JQWIXIFHSA-N 0 1 240.372 2.174 20 0 BEADMN CCc1cnc(CNCCC[C@@H](O)CC)s1 ZINC000390652117 993800124 /nfs/dbraw/zinc/80/01/24/993800124.db2.gz PNCFIWTZQKKSLD-JTQLQIEISA-N 0 1 242.388 2.346 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000701705511 993905866 /nfs/dbraw/zinc/90/58/66/993905866.db2.gz ZDWFEIFQWRURDH-JTQLQIEISA-N 0 1 241.237 2.068 20 0 BEADMN O=C([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](F)C1 ZINC000701705511 993905875 /nfs/dbraw/zinc/90/58/75/993905875.db2.gz ZDWFEIFQWRURDH-JTQLQIEISA-N 0 1 241.237 2.068 20 0 BEADMN N#Cc1cc(F)cc(CN2CCC[C@@H](O)CC2)c1 ZINC000393168631 993909463 /nfs/dbraw/zinc/90/94/63/993909463.db2.gz DECJNKRZDOFXIT-CQSZACIVSA-N 0 1 248.301 2.044 20 0 BEADMN Cc1cc(CNCc2ccccc2F)[nH]n1 ZINC000393769327 994002914 /nfs/dbraw/zinc/00/29/14/994002914.db2.gz DOZZTQQLCTXFGO-UHFFFAOYSA-N 0 1 219.263 2.147 20 0 BEADMN COc1cccc(C(=O)[O-])c1C[N@H+]1C[C@H](C)[C@H]1C ZINC001599645167 994415524 /nfs/dbraw/zinc/41/55/24/994415524.db2.gz PDVGANJRWMEDMC-VHSXEESVSA-N 0 1 249.310 2.234 20 0 BEADMN C[C@@H]([NH2+]CC(C)(C)F)c1ncc(C(=O)[O-])s1 ZINC001593239197 994420829 /nfs/dbraw/zinc/42/08/29/994420829.db2.gz CMSSIQSFJNMIBT-ZCFIWIBFSA-N 0 1 246.307 2.240 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC001288861670 994479456 /nfs/dbraw/zinc/47/94/56/994479456.db2.gz BSFUGBDOTRNLNX-IUCAKERBSA-N 0 1 237.274 2.450 20 0 BEADMN CC(C)NC(=O)c1ccc(Cl)c(O)c1 ZINC001290107967 994523134 /nfs/dbraw/zinc/52/31/34/994523134.db2.gz BZZIQBVDCDUKFA-UHFFFAOYSA-N 0 1 213.664 2.184 20 0 BEADMN Cc1cc(CCC(=O)NC[C@@H]2CC=CCC2)n[nH]1 ZINC001292244668 994607570 /nfs/dbraw/zinc/60/75/70/994607570.db2.gz BQCCGCUVOFIKKH-GFCCVEGCSA-N 0 1 247.342 2.123 20 0 BEADMN CCC[C@@H](CC)NC(=O)CCc1cc(C)[nH]n1 ZINC001292487107 994618589 /nfs/dbraw/zinc/61/85/89/994618589.db2.gz LAUDZWZBFOFQRP-LLVKDONJSA-N 0 1 237.347 2.346 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@H](C(C)C)C2)n[nH]1 ZINC001294587352 994699604 /nfs/dbraw/zinc/69/96/04/994699604.db2.gz CXZRUMOBUHYZSW-LBPRGKRZSA-N 0 1 249.358 2.155 20 0 BEADMN O=C(Nc1ccsn1)c1cccc2c[nH]nc21 ZINC001302924658 995130808 /nfs/dbraw/zinc/13/08/08/995130808.db2.gz QJZYOJNPLAWJND-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN Cc1cc(NC(=O)c2ncccc2O)cnc1C ZINC001303086319 995140566 /nfs/dbraw/zinc/14/05/66/995140566.db2.gz NIJAYMDJBSMULP-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1nc2cccc(C(=O)NC/C=C/Cl)c2[nH]1 ZINC001304682061 995214918 /nfs/dbraw/zinc/21/49/18/995214918.db2.gz CTDREXIMQSXKSF-ZZXKWVIFSA-N 0 1 249.701 2.354 20 0 BEADMN Cc1cc(C[C@H](C)Nc2nc(C(C)C)no2)[nH]n1 ZINC001337902439 995224353 /nfs/dbraw/zinc/22/43/53/995224353.db2.gz MZFMKDLHQQFUDP-QMMMGPOBSA-N 0 1 249.318 2.268 20 0 BEADMN Cc1cccc(CN2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001307595787 995412469 /nfs/dbraw/zinc/41/24/69/995412469.db2.gz FESFXODMPRHYAB-NEPJUHHUSA-N 0 1 238.281 2.477 20 0 BEADMN CC[C@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1noc(C)n1 ZINC001307667227 995429491 /nfs/dbraw/zinc/42/94/91/995429491.db2.gz ASOLYVLNIBYNRZ-USZNOCQGSA-N 0 1 235.331 2.465 20 0 BEADMN CC[C@@H](C)[C@@H](C)[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC001307702171 995436863 /nfs/dbraw/zinc/43/68/63/995436863.db2.gz HWHSQFGRIMCQSU-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)[C@@H](C)N1CCN(CC(C)C)C(=O)C1 ZINC001307702171 995436873 /nfs/dbraw/zinc/43/68/73/995436873.db2.gz HWHSQFGRIMCQSU-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC001307833085 995474213 /nfs/dbraw/zinc/47/42/13/995474213.db2.gz YSKABVMITABDTO-CZULRBLNSA-N 0 1 221.304 2.217 20 0 BEADMN Cc1ccccc1C1(NCC2=NOCC2)CC1 ZINC001307867790 995491430 /nfs/dbraw/zinc/49/14/30/995491430.db2.gz HEZFLOIDEMKVDO-UHFFFAOYSA-N 0 1 230.311 2.350 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C)Cc1nnc(C)o1 ZINC001307916506 995496699 /nfs/dbraw/zinc/49/66/99/995496699.db2.gz FCWKUMMIFAQIQF-DTWKUNHWSA-N 0 1 211.309 2.244 20 0 BEADMN CC[C@H](C)[C@H](C)N(C)Cc1ncccn1 ZINC001308035990 995528609 /nfs/dbraw/zinc/52/86/09/995528609.db2.gz MLKASTUUSZYRPI-QWRGUYRKSA-N 0 1 207.321 2.343 20 0 BEADMN C[C@@H](Oc1ccccc1C[N@@H+](C)C1CC1)C(=O)[O-] ZINC001593644154 995957179 /nfs/dbraw/zinc/95/71/79/995957179.db2.gz DIWBAGHSZUDUJD-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN C[C@H](c1cccnc1)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC001593719319 996242991 /nfs/dbraw/zinc/24/29/91/996242991.db2.gz BXPOTVSMZYTJGZ-LLVKDONJSA-N 0 1 248.326 2.329 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)CC(C)(C)C ZINC001593724347 996265504 /nfs/dbraw/zinc/26/55/04/996265504.db2.gz FMTNJQBAPSBOTR-MRVPVSSYSA-N 0 1 240.303 2.412 20 0 BEADMN C[C@@H](c1nc(C(=O)[O-])co1)[NH+]1C2CCC1CC2 ZINC001593725286 996276556 /nfs/dbraw/zinc/27/65/56/996276556.db2.gz OSXZJERXVQEAMW-UEJVZZJDSA-N 0 1 236.271 2.061 20 0 BEADMN C[C@@]1(F)CCCN(c2cc(C(=O)[O-])cc[nH+]2)C1 ZINC001594045184 997698119 /nfs/dbraw/zinc/69/81/19/997698119.db2.gz PGQKODJVSYNYEO-GFCCVEGCSA-N 0 1 238.262 2.108 20 0 BEADMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncc(C(=O)[O-])s1 ZINC001594231391 998879620 /nfs/dbraw/zinc/87/96/20/998879620.db2.gz SZDBJCFTJLEKLM-JGVFFNPUSA-N 0 1 240.328 2.072 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001594367708 999389941 /nfs/dbraw/zinc/38/99/41/999389941.db2.gz UWLKZSFMUVRUSF-BJDJZHNGSA-N 0 1 243.322 2.310 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001594371799 999403130 /nfs/dbraw/zinc/40/31/30/999403130.db2.gz GSCYONCTAYOFKB-UTLUCORTSA-N 0 1 247.285 2.217 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H](F)c1ccccc1 ZINC001453295770 1170029323 /nfs/dbraw/zinc/02/93/23/1170029323.db2.gz YQNJJQJEYQIBHX-GFCCVEGCSA-N 0 1 247.273 2.079 20 0 BEADMN CC(=Cc1ccco1)C(=O)N(C)Cc1cnc[nH]1 ZINC001453293092 1170028592 /nfs/dbraw/zinc/02/85/92/1170028592.db2.gz QHQLRGCSASGBIV-POHAHGRESA-N 0 1 245.282 2.065 20 0 BEADMN Cc1cc(CNCc2ccccc2N(C)C)[nH]n1 ZINC001620808157 1170153628 /nfs/dbraw/zinc/15/36/28/1170153628.db2.gz DYOBVDDOYGEXRL-UHFFFAOYSA-N 0 1 244.342 2.074 20 0 BEADMN Cc1cc(CNCc2ccccc2N(C)C)n[nH]1 ZINC001620808157 1170153631 /nfs/dbraw/zinc/15/36/31/1170153631.db2.gz DYOBVDDOYGEXRL-UHFFFAOYSA-N 0 1 244.342 2.074 20 0 BEADMN CCc1nc([C@@H](C)NCc2ccccc2F)n[nH]1 ZINC001620887587 1170164625 /nfs/dbraw/zinc/16/46/25/1170164625.db2.gz JJGYHFSYQFASTB-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN CCc1nc([C@H](C)NCc2ccccc2F)n[nH]1 ZINC001620887588 1170165705 /nfs/dbraw/zinc/16/57/05/1170165705.db2.gz JJGYHFSYQFASTB-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN Cc1ncoc1CNc1ccc2nc[nH]c2c1 ZINC001620931433 1170168353 /nfs/dbraw/zinc/16/83/53/1170168353.db2.gz UPOBZKKNJSAYQT-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2CC[C@@H](C3CCC3)C2)c1 ZINC001608952419 1170210014 /nfs/dbraw/zinc/21/00/14/1170210014.db2.gz UZJGSVJNQQONGV-GFCCVEGCSA-N 0 1 246.310 2.406 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC001608991835 1170213034 /nfs/dbraw/zinc/21/30/34/1170213034.db2.gz POWKSTYHNTYVQO-NSHDSACASA-N 0 1 237.324 2.431 20 0 BEADMN CC1=C[C@H](C)C[N@@H+](CC2(CC(=O)[O-])CC2)C1 ZINC001609829175 1170298076 /nfs/dbraw/zinc/29/80/76/1170298076.db2.gz YPOUOXZCMNFBDP-JTQLQIEISA-N 0 1 223.316 2.139 20 0 BEADMN CC1=C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC001609828620 1170296797 /nfs/dbraw/zinc/29/67/97/1170296797.db2.gz JNHNJIFBWCMPTB-GWCFXTLKSA-N 0 1 246.310 2.105 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC001609828836 1170296252 /nfs/dbraw/zinc/29/62/52/1170296252.db2.gz PUTLXGSCTWHDBG-SNVBAGLBSA-N 0 1 225.332 2.385 20 0 BEADMN CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])[nH]1 ZINC001609969688 1170332362 /nfs/dbraw/zinc/33/23/62/1170332362.db2.gz UTIGEHUQYOYFAZ-UHFFFAOYSA-N 0 1 224.304 2.335 20 0 BEADMN CC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC001609999218 1170338103 /nfs/dbraw/zinc/33/81/03/1170338103.db2.gz NWVCFBLPKDUUDZ-JTQLQIEISA-N 0 1 241.331 2.254 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1C ZINC001610528969 1170383657 /nfs/dbraw/zinc/38/36/57/1170383657.db2.gz FRRCRJIVTLMNCF-NQBHXWOUSA-N 0 1 233.311 2.461 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001610528602 1170384373 /nfs/dbraw/zinc/38/43/73/1170384373.db2.gz BDHWNUCECSGDDT-KGYLQXTDSA-N 0 1 231.295 2.215 20 0 BEADMN O=C([O-])[C@]1(F)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001610728638 1170408346 /nfs/dbraw/zinc/40/83/46/1170408346.db2.gz SHUJUBJTDIOWOQ-ZDUSSCGKSA-N 0 1 241.306 2.376 20 0 BEADMN Fc1cccc2nc(NCCc3ccn[nH]3)oc21 ZINC001612845049 1170466524 /nfs/dbraw/zinc/46/65/24/1170466524.db2.gz VVIYQQSMMSBTBH-UHFFFAOYSA-N 0 1 246.245 2.345 20 0 BEADMN Fc1ccc(SCc2c[nH]nn2)c(F)c1 ZINC001613414996 1170475759 /nfs/dbraw/zinc/47/57/59/1170475759.db2.gz ZAJATEMZQAWQFD-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN CCN1CCN(c2nsc3ccccc32)CC1 ZINC000034120546 1170540050 /nfs/dbraw/zinc/54/00/50/1170540050.db2.gz CYNMRTFQVQXSPG-UHFFFAOYSA-N 0 1 247.367 2.438 20 0 BEADMN CC=CC(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001626226035 1170542880 /nfs/dbraw/zinc/54/28/80/1170542880.db2.gz CQMJFZXSPCOXKH-GORDUTHDSA-N 0 1 241.294 2.269 20 0 BEADMN CC=CC(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001626226034 1170542154 /nfs/dbraw/zinc/54/21/54/1170542154.db2.gz CQMJFZXSPCOXKH-DJWKRKHSSA-N 0 1 241.294 2.269 20 0 BEADMN Cc1cc(CCC(=O)NC2CCCCCC2)n[nH]1 ZINC001618027022 1170612959 /nfs/dbraw/zinc/61/29/59/1170612959.db2.gz KQAISSKGBFMVPS-UHFFFAOYSA-N 0 1 249.358 2.490 20 0 BEADMN O=C(Nc1ccccc1Cl)c1cnncc1O ZINC001618547447 1170641024 /nfs/dbraw/zinc/64/10/24/1170641024.db2.gz NTIYUNAWZGTYAR-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@@H]1CCCC[C@@H]1O)C2 ZINC001620434899 1170668362 /nfs/dbraw/zinc/66/83/62/1170668362.db2.gz JDPWNKXZECDAST-WFASDCNBSA-N 0 1 247.338 2.259 20 0 BEADMN CN(Cc1ncccn1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001620535964 1170679105 /nfs/dbraw/zinc/67/91/05/1170679105.db2.gz HMCTZVJDVHMJGB-FRRDWIJNSA-N 0 1 231.343 2.345 20 0 BEADMN FC(F)(F)CCN1CC[C@H](c2ncccn2)C1 ZINC001620619036 1170689640 /nfs/dbraw/zinc/68/96/40/1170689640.db2.gz STLPXMLPFNJFGD-VIFPVBQESA-N 0 1 245.248 2.218 20 0 BEADMN C[C@@H]([NH2+]Cc1cc(=O)[n-]c(C2CC2)n1)C1(C)CC1 ZINC001620640761 1170691908 /nfs/dbraw/zinc/69/19/08/1170691908.db2.gz AZBSKHVVCMHVAC-SECBINFHSA-N 0 1 247.342 2.338 20 0 BEADMN CCC[C@@H]1CCC[N@H+]1Cc1nnc2n1CCCC2 ZINC001620644127 1170693787 /nfs/dbraw/zinc/69/37/87/1170693787.db2.gz ZURHFRGJXCGWGE-GFCCVEGCSA-N 0 1 248.374 2.379 20 0 BEADMN CCC[C@@H]1CCCN1Cc1nnc2n1CCCC2 ZINC001620644127 1170693791 /nfs/dbraw/zinc/69/37/91/1170693791.db2.gz ZURHFRGJXCGWGE-GFCCVEGCSA-N 0 1 248.374 2.379 20 0 BEADMN Cn1cc(Cl)c(CNC[C@]23C[C@H]2CCC3)n1 ZINC001621079970 1170711747 /nfs/dbraw/zinc/71/17/47/1170711747.db2.gz YDUTXXWDZBSGKT-SKDRFNHKSA-N 0 1 239.750 2.353 20 0 BEADMN CCCCC1(NCc2nc(CO)cs2)CC1 ZINC001621099419 1170714633 /nfs/dbraw/zinc/71/46/33/1170714633.db2.gz ASULXXRAMSXMCH-UHFFFAOYSA-N 0 1 240.372 2.448 20 0 BEADMN Cc1n[nH]c(S[C@H]2CCCCCC2=O)n1 ZINC000031794280 1170882229 /nfs/dbraw/zinc/88/22/29/1170882229.db2.gz ISLSBDNWJQMUDE-VIFPVBQESA-N 0 1 225.317 2.107 20 0 BEADMN Cc1nnc(S[C@H]2CCCCCC2=O)[nH]1 ZINC000031794280 1170882220 /nfs/dbraw/zinc/88/22/20/1170882220.db2.gz ISLSBDNWJQMUDE-VIFPVBQESA-N 0 1 225.317 2.107 20 0 BEADMN COC(=O)[C@@H](NC1CCCCCC1)C(C)C ZINC000035185645 1170905309 /nfs/dbraw/zinc/90/53/09/1170905309.db2.gz PULBXFXPPOROHN-LBPRGKRZSA-N 0 1 227.348 2.496 20 0 BEADMN Cc1nc2cc(NCc3cnn(C)c3)ccc2[nH]1 ZINC000037139634 1170934608 /nfs/dbraw/zinc/93/46/08/1170934608.db2.gz UPBHWZGMTLIOPK-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)[C@H]1CCN1CC ZINC001625750290 1171114689 /nfs/dbraw/zinc/11/46/89/1171114689.db2.gz BNPBWRLBNNXFNK-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN CCN1CC[C@H]1C(=O)N1CCC(C)(CC)CC1 ZINC001627327152 1171162358 /nfs/dbraw/zinc/16/23/58/1171162358.db2.gz AIGFLSCHHUBEGF-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCN1CC[C@@H]1C(=O)N1CCC(C)(CC)CC1 ZINC001627327151 1171162974 /nfs/dbraw/zinc/16/29/74/1171162974.db2.gz AIGFLSCHHUBEGF-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc2nc(-c3cnccn3)[nH]c2c1 ZINC000041043046 1171164094 /nfs/dbraw/zinc/16/40/94/1171164094.db2.gz YWTNTJUOKCIOMU-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccc(NC(=O)Cc2cnc[nH]2)cc1F ZINC001628371996 1171229241 /nfs/dbraw/zinc/22/92/41/1171229241.db2.gz PMDDZNXARRDSDL-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN CC(=CC(=O)NCc1cnc[nH]1)c1cccs1 ZINC001628407540 1171230793 /nfs/dbraw/zinc/23/07/93/1171230793.db2.gz CSEQROAOWOVPLW-UITAMQMPSA-N 0 1 247.323 2.191 20 0 BEADMN CC1(C)C[C@@H]1CNC(=O)c1cccc(F)c1O ZINC001628803911 1171265427 /nfs/dbraw/zinc/26/54/27/1171265427.db2.gz NRDJDWMZCIATPK-MRVPVSSYSA-N 0 1 237.274 2.307 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C(C)C)on1 ZINC001628952297 1171272557 /nfs/dbraw/zinc/27/25/57/1171272557.db2.gz TYWPSUJBYPYNMV-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN CC(C)CCCCNC(=O)CCc1cnc[nH]1 ZINC001629670238 1171338403 /nfs/dbraw/zinc/33/84/03/1171338403.db2.gz UAEJMPKEMGIQLV-UHFFFAOYSA-N 0 1 237.347 2.285 20 0 BEADMN CCN1CC[C@H]1C(=O)N(C)Cc1cccc(C)c1 ZINC001629723776 1171340811 /nfs/dbraw/zinc/34/08/11/1171340811.db2.gz XQSXHVWVJNMXRY-AWEZNQCLSA-N 0 1 246.354 2.048 20 0 BEADMN CCN(C(=O)[C@H]1CCN1CC)C1CC(C)(C)C1 ZINC001629802730 1171343177 /nfs/dbraw/zinc/34/31/77/1171343177.db2.gz KNYCMAUUBAQFPY-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cccc(F)c1C ZINC001629931144 1171356214 /nfs/dbraw/zinc/35/62/14/1171356214.db2.gz DECXIDFMLJMOLJ-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN Cc1nc(C)c(C(=O)Nc2cc(C(C)C)on2)[nH]1 ZINC001630162374 1171373283 /nfs/dbraw/zinc/37/32/83/1171373283.db2.gz GTZIYMWYAOOKDO-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN CCc1cc(NC(=O)c2cccc(F)c2O)n[nH]1 ZINC001630660976 1171410908 /nfs/dbraw/zinc/41/09/08/1171410908.db2.gz XZDWGRWSIJYBNK-UHFFFAOYSA-N 0 1 249.245 2.069 20 0 BEADMN Cc1cc(CCC(=O)N[C@H](C)CC2CCC2)n[nH]1 ZINC001631058225 1171438275 /nfs/dbraw/zinc/43/82/75/1171438275.db2.gz YITSQKQGEVIVKG-SNVBAGLBSA-N 0 1 249.358 2.346 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1ccc2c(c1)COC2 ZINC001631778401 1171477564 /nfs/dbraw/zinc/47/75/64/1171477564.db2.gz DDQOVFPPIVKXPM-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CCC[C@@H](C)N(C)CC(=O)OC(C)C ZINC000047868221 1171571445 /nfs/dbraw/zinc/57/14/45/1171571445.db2.gz PVAPSOGTUMGMEJ-SNVBAGLBSA-N 0 1 201.310 2.058 20 0 BEADMN CC[C@H]1CCCN(CC(=O)OC(C)C)C1 ZINC000047867228 1171574222 /nfs/dbraw/zinc/57/42/22/1171574222.db2.gz QEYIBNDNDSVGOR-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1C(=O)CCc1cc(C)[nH]n1 ZINC001633511692 1171584348 /nfs/dbraw/zinc/58/43/48/1171584348.db2.gz MJGOSLNOJSEOJT-ZWNOBZJWSA-N 0 1 249.358 2.298 20 0 BEADMN CC=CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000048322535 1171606732 /nfs/dbraw/zinc/60/67/32/1171606732.db2.gz RNKUEHCHNOGMJC-BSPAPZMXSA-N 0 1 229.283 2.316 20 0 BEADMN CN[C@H](C)c1nnc(-c2ccc(F)cc2)o1 ZINC000048372079 1171608603 /nfs/dbraw/zinc/60/86/03/1171608603.db2.gz NRDVTRJARYSASC-SSDOTTSWSA-N 0 1 221.235 2.156 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001634002868 1171616061 /nfs/dbraw/zinc/61/60/61/1171616061.db2.gz CPXBOUHFZJKKRO-BDAKNGLRSA-N 0 1 239.294 2.247 20 0 BEADMN C[C@@H](C(=O)NCc1cnc[nH]1)[C@@H](C)C(C)(C)C ZINC001634073537 1171622047 /nfs/dbraw/zinc/62/20/47/1171622047.db2.gz DYIPDAMUKIAQNK-NXEZZACHSA-N 0 1 237.347 2.344 20 0 BEADMN CC1(C)CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001634131626 1171625688 /nfs/dbraw/zinc/62/56/88/1171625688.db2.gz NQMCKMCCIXLBMV-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN Cc1cc(NC(=O)c2[nH]cnc2C)cs1 ZINC001634290360 1171639273 /nfs/dbraw/zinc/63/92/73/1171639273.db2.gz ZZVNEXQHORUCMH-UHFFFAOYSA-N 0 1 221.285 2.340 20 0 BEADMN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NOC1CCCCC1 ZINC001634691588 1171672450 /nfs/dbraw/zinc/67/24/50/1171672450.db2.gz MEHKMZMSXGVMQG-ZMLRMANQSA-N 0 1 241.331 2.038 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001635194029 1171702376 /nfs/dbraw/zinc/70/23/76/1171702376.db2.gz LQNDAYBFTQLCQX-SECBINFHSA-N 0 1 229.283 2.045 20 0 BEADMN CC(C)OC(=O)CN(C)C1CCCCC1 ZINC000049633296 1171716078 /nfs/dbraw/zinc/71/60/78/1171716078.db2.gz NDGZOLYHXRMTFA-UHFFFAOYSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1ccc(OC[C@@H](C)NCc2ncc[nH]2)cc1 ZINC000049715640 1171724638 /nfs/dbraw/zinc/72/46/38/1171724638.db2.gz RHIZOVKSCOMSRY-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN CCCCN(CC)CC(=O)OC(C)C ZINC000049800066 1171729665 /nfs/dbraw/zinc/72/96/65/1171729665.db2.gz PRLFUBVOMRPECY-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN CCc1ncc(CNC(=O)CCC(C)C)[nH]1 ZINC001635607169 1171742236 /nfs/dbraw/zinc/74/22/36/1171742236.db2.gz UWNGVWSOAIZTAS-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H](C)CC(C)C)[nH]1 ZINC001635610167 1171743926 /nfs/dbraw/zinc/74/39/26/1171743926.db2.gz DKVXKQQCCKSRRL-JTQLQIEISA-N 0 1 237.347 2.271 20 0 BEADMN CCC1(NC(=O)c2[nH]ncc2F)CCCC1 ZINC001635993479 1171780925 /nfs/dbraw/zinc/78/09/25/1171780925.db2.gz ACLCIHSWSNQVDG-UHFFFAOYSA-N 0 1 225.267 2.001 20 0 BEADMN Cc1cc([C@@H]2CCCCN2C(=O)C(F)F)n[nH]1 ZINC001636064995 1171790200 /nfs/dbraw/zinc/79/02/00/1171790200.db2.gz FSUSEVWUJHARJE-VIFPVBQESA-N 0 1 243.257 2.037 20 0 BEADMN CCC(CC)(CC)CNC(=O)c1[nH]ncc1F ZINC001636103076 1171798122 /nfs/dbraw/zinc/79/81/22/1171798122.db2.gz GIKPFVSXUNVOPE-UHFFFAOYSA-N 0 1 241.310 2.495 20 0 BEADMN CCC=CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001636500868 1171842523 /nfs/dbraw/zinc/84/25/23/1171842523.db2.gz PEFSVXFFVNZMKN-YEZKRMTDSA-N 0 1 247.342 2.231 20 0 BEADMN C[C@@H]1CN(C(=O)c2c3[nH]cnc3ccc2F)[C@@H]1C ZINC001636687769 1171865716 /nfs/dbraw/zinc/86/57/16/1171865716.db2.gz DMZZGHGUQUTIIF-HTQZYQBOSA-N 0 1 247.273 2.182 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)c(C)c(O)c1 ZINC001636895384 1171887592 /nfs/dbraw/zinc/88/75/92/1171887592.db2.gz HDROWUASVPBNDD-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CC=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC001637487475 1171935470 /nfs/dbraw/zinc/93/54/70/1171935470.db2.gz JPUSPOJKQFEEKV-QHHAFSJGSA-N 0 1 243.266 2.297 20 0 BEADMN COc1nccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000296001047 398136749 /nfs/dbraw/zinc/13/67/49/398136749.db2.gz KWPLJPXYDAJPPH-GFCCVEGCSA-N 0 1 247.342 2.106 20 0 BEADMN COc1nccc(CN2CC(C)(C)[C@H]2C2CC2)n1 ZINC000296001047 398136752 /nfs/dbraw/zinc/13/67/52/398136752.db2.gz KWPLJPXYDAJPPH-GFCCVEGCSA-N 0 1 247.342 2.106 20 0 BEADMN CCC(O)(CC)CCNCc1ncc(C)s1 ZINC000296685014 398140567 /nfs/dbraw/zinc/14/05/67/398140567.db2.gz HBHLVUMGQANXMI-UHFFFAOYSA-N 0 1 242.388 2.482 20 0 BEADMN CCCCN(C(=O)Cc1ccn[nH]1)[C@@H](C)CC ZINC000266791683 538913710 /nfs/dbraw/zinc/91/37/10/538913710.db2.gz BHJXJYXCOBTGOP-NSHDSACASA-N 0 1 237.347 2.379 20 0 BEADMN Cc1cccc(CCC[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000257667402 349470824 /nfs/dbraw/zinc/47/08/24/349470824.db2.gz KWGJNDCNGZODNI-AWEZNQCLSA-N 0 1 247.338 2.334 20 0 BEADMN C/C=C(\CC)C(=O)NCc1ccc2cncn2c1 ZINC000297357496 398143838 /nfs/dbraw/zinc/14/38/38/398143838.db2.gz VCERTTDDBLFSFY-KGVSQERTSA-N 0 1 243.310 2.307 20 0 BEADMN Cc1ccccc1NC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000623066034 349486052 /nfs/dbraw/zinc/48/60/52/349486052.db2.gz XYQYASQMCCVVFR-TXEJJXNPSA-N 0 1 247.342 2.209 20 0 BEADMN CC(C)n1cc([C@@H](C)NCc2cn[nH]c2)cn1 ZINC000602287143 349494100 /nfs/dbraw/zinc/49/41/00/349494100.db2.gz ZFXVQUDXSXOFKA-SNVBAGLBSA-N 0 1 233.319 2.038 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751063 349491166 /nfs/dbraw/zinc/49/11/66/349491166.db2.gz OUIWMLHLIUNOBZ-UHFFFAOYSA-N 0 1 225.263 2.366 20 0 BEADMN CC(C)CC[N@H+](CC(=O)[O-])CC(C)C ZINC000062742727 349491433 /nfs/dbraw/zinc/49/14/33/349491433.db2.gz YCYLBBZORYYSRH-UHFFFAOYSA-N 0 1 201.310 2.075 20 0 BEADMN CC(C)CC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875616 349494436 /nfs/dbraw/zinc/49/44/36/349494436.db2.gz OXYPKKJGWMGEPK-GFCCVEGCSA-N 0 1 213.321 2.219 20 0 BEADMN CCCCC[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062876760 349494789 /nfs/dbraw/zinc/49/47/89/349494789.db2.gz WAALFYCQLUXBKZ-GFCCVEGCSA-N 0 1 213.321 2.363 20 0 BEADMN c1ncc(CN2CCCSCC2)s1 ZINC000272812589 398148012 /nfs/dbraw/zinc/14/80/12/398148012.db2.gz NRWKITBWVKXPPA-UHFFFAOYSA-N 0 1 214.359 2.082 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](CCc2ccccc2)C1 ZINC000062936202 349502168 /nfs/dbraw/zinc/50/21/68/349502168.db2.gz NAKCBWVXNLOPAV-AWEZNQCLSA-N 0 1 233.311 2.026 20 0 BEADMN CCC(CC)C(=O)N1CCN(C2CCC2)CC1 ZINC000354360724 168335104 /nfs/dbraw/zinc/33/51/04/168335104.db2.gz LNQJTNIVOYPYRS-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)[C@H](C)C2)no1 ZINC000122554578 178001743 /nfs/dbraw/zinc/00/17/43/178001743.db2.gz DHILOEYSXLSMJE-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1cc(CN2CC[C@](F)(CO)C2)c(C)s1 ZINC000334155399 178002705 /nfs/dbraw/zinc/00/27/05/178002705.db2.gz VFIYWEACSPNNLO-GFCCVEGCSA-N 0 1 243.347 2.271 20 0 BEADMN Cc1cc(CN2CC[C@H](COC(F)F)C2)on1 ZINC000353022321 178003197 /nfs/dbraw/zinc/00/31/97/178003197.db2.gz DWZYSPWCOYTYRE-VIFPVBQESA-N 0 1 246.257 2.044 20 0 BEADMN Cc1[nH]ncc1[C@H](C)N[C@H](C)C(F)(F)F ZINC000389934518 398151056 /nfs/dbraw/zinc/15/10/56/398151056.db2.gz MKQXDXVXCLPRPS-CAHLUQPWSA-N 0 1 221.226 2.320 20 0 BEADMN Cc1cc(CNC(=O)C(F)(F)F)cc(C)c1O ZINC000263652283 178009508 /nfs/dbraw/zinc/00/95/08/178009508.db2.gz GEPFQWVKAMXPGR-UHFFFAOYSA-N 0 1 247.216 2.188 20 0 BEADMN CCC[C@@H](CN[C@H](COC)c1ccco1)OC ZINC000638720533 398158492 /nfs/dbraw/zinc/15/84/92/398158492.db2.gz KBQVZUCVXRNYAE-NWDGAFQWSA-N 0 1 241.331 2.372 20 0 BEADMN Cc1cc(CNC[C@H](O)C2CCCCC2)no1 ZINC000352622959 178024480 /nfs/dbraw/zinc/02/44/80/178024480.db2.gz IYCPXZMDKQIQEI-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN COCC[C@@H](C)[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900747 398170554 /nfs/dbraw/zinc/17/05/54/398170554.db2.gz VIAIJQVTKOJVOK-GFCCVEGCSA-N 0 1 222.332 2.247 20 0 BEADMN Cc1cc(CN[C@@H](C)C[C@@H]2CCCO2)no1 ZINC000309723895 178030001 /nfs/dbraw/zinc/03/00/01/178030001.db2.gz COWOCDOTBJCORK-CABZTGNLSA-N 0 1 224.304 2.030 20 0 BEADMN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)nc1 ZINC000334256972 136215651 /nfs/dbraw/zinc/21/56/51/136215651.db2.gz MQWRMMINCQACRP-NWDGAFQWSA-N 0 1 208.280 2.370 20 0 BEADMN Cc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)on1 ZINC000374598143 178036896 /nfs/dbraw/zinc/03/68/96/178036896.db2.gz WANNGKFHXNMLHI-OLZOCXBDSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)no1 ZINC000368621697 178042139 /nfs/dbraw/zinc/04/21/39/178042139.db2.gz KGROFRMTHQPREU-CHWSQXEVSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1cc(CSc2nc(C3CC3)n[nH]2)no1 ZINC000014115159 178053269 /nfs/dbraw/zinc/05/32/69/178053269.db2.gz XNVLCNBJVYOYJK-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1cc(CSc2n[nH]c(C3CC3)n2)no1 ZINC000014115159 178053272 /nfs/dbraw/zinc/05/32/72/178053272.db2.gz XNVLCNBJVYOYJK-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1cc(CSc2cn[nH]n2)ccc1N(C)C ZINC000292668641 178053803 /nfs/dbraw/zinc/05/38/03/178053803.db2.gz NYEJZWCRNKETOG-UHFFFAOYSA-N 0 1 248.355 2.471 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000354440510 178055273 /nfs/dbraw/zinc/05/52/73/178055273.db2.gz RNFKYRKBISMBOM-SECBINFHSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(C[C@@H](C)N[C@@H](C)c2cc(C)on2)[nH]n1 ZINC000290646278 178055483 /nfs/dbraw/zinc/05/54/83/178055483.db2.gz JTYGCYRNFDNRTA-KCJUWKMLSA-N 0 1 248.330 2.296 20 0 BEADMN Cc1cc(C[C@@H](C)N[C@@H](C)c2cc(C)on2)n[nH]1 ZINC000290646278 178055485 /nfs/dbraw/zinc/05/54/85/178055485.db2.gz JTYGCYRNFDNRTA-KCJUWKMLSA-N 0 1 248.330 2.296 20 0 BEADMN FC1(F)C[C@]12CC[N@@H+](CCc1cncs1)C2 ZINC000649909591 398181555 /nfs/dbraw/zinc/18/15/55/398181555.db2.gz PUJPEOLOHVUTII-JTQLQIEISA-N 0 1 244.310 2.417 20 0 BEADMN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)ncn1 ZINC000649908459 398183951 /nfs/dbraw/zinc/18/39/51/398183951.db2.gz ORYVLYCSNBIIAT-LLVKDONJSA-N 0 1 239.269 2.016 20 0 BEADMN Cc1cc(Cc2nc(C3CCCC3)no2)[nH]n1 ZINC000176474504 178060115 /nfs/dbraw/zinc/06/01/15/178060115.db2.gz HBCUKWYNRIYRFJ-UHFFFAOYSA-N 0 1 232.287 2.350 20 0 BEADMN CC[C@@H]1CC[C@H](C)C[C@@H]1NCC(F)(F)CN ZINC000423343910 398166460 /nfs/dbraw/zinc/16/64/60/398166460.db2.gz MHAOZFQTEUGWFI-AXFHLTTASA-N 0 1 234.334 2.385 20 0 BEADMN CCC(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161722455 168339895 /nfs/dbraw/zinc/33/98/95/168339895.db2.gz JFQWYSRWUGOSLJ-SECBINFHSA-N 0 1 237.347 2.202 20 0 BEADMN C[C@H]1CCC[C@H](C)N1CCCCS(C)(=O)=O ZINC000162479382 538922653 /nfs/dbraw/zinc/92/26/53/538922653.db2.gz FHEWEINBBTVXCM-RYUDHWBXSA-N 0 1 247.404 2.074 20 0 BEADMN CCC(CC)C(=O)NCc1ccc2cncn2c1 ZINC000297334300 168338332 /nfs/dbraw/zinc/33/83/32/168338332.db2.gz SYJKKIPPGWFRHF-UHFFFAOYSA-N 0 1 245.326 2.387 20 0 BEADMN Cc1cc(F)ccc1CN(C)C(=O)c1ccn[nH]1 ZINC000335695346 178083562 /nfs/dbraw/zinc/08/35/62/178083562.db2.gz FCXJEPJWVVHPPL-UHFFFAOYSA-N 0 1 247.273 2.129 20 0 BEADMN C[C@@H](c1ccccc1)[C@H](O)CN1CC[C@@H](F)C1 ZINC000649946053 398193517 /nfs/dbraw/zinc/19/35/17/398193517.db2.gz RENSMGTYDJVZMF-IACUBPJLSA-N 0 1 237.318 2.195 20 0 BEADMN Cc1nnc(NC(=O)c2ccccc2Cl)[nH]1 ZINC000082284801 398185091 /nfs/dbraw/zinc/18/50/91/398185091.db2.gz HICSZLHENAZYQB-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccccc2Cl)n1 ZINC000082284801 398185094 /nfs/dbraw/zinc/18/50/94/398185094.db2.gz HICSZLHENAZYQB-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN COCCCCC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000576293089 365557031 /nfs/dbraw/zinc/55/70/31/365557031.db2.gz IAUTUISVCGWZJP-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CC1(C)CC[C@@H](Nc2ncnc3[nH]cnc32)C1 ZINC000162664481 538924116 /nfs/dbraw/zinc/92/41/16/538924116.db2.gz FGKAADYYNIVUBZ-MRVPVSSYSA-N 0 1 231.303 2.344 20 0 BEADMN Cc1nc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000649406059 398206173 /nfs/dbraw/zinc/20/61/73/398206173.db2.gz PSOCSOMLANXJBJ-MNOVXSKESA-N 0 1 249.314 2.067 20 0 BEADMN C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C[C@@H]1F ZINC000649416286 398215975 /nfs/dbraw/zinc/21/59/75/398215975.db2.gz DLLYDNNILFMUNG-GWCFXTLKSA-N 0 1 227.323 2.426 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C[C@@H]1F ZINC000649416288 398216269 /nfs/dbraw/zinc/21/62/69/398216269.db2.gz DLLYDNNILFMUNG-MFKMUULPSA-N 0 1 227.323 2.426 20 0 BEADMN Cc1nnc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000119200344 136220687 /nfs/dbraw/zinc/22/06/87/136220687.db2.gz WCKSXENHXGQFAJ-WCABBAIRSA-N 0 1 223.320 2.292 20 0 BEADMN CCC(=O)CCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000649416392 398217337 /nfs/dbraw/zinc/21/73/37/398217337.db2.gz SKVBNCYZXGXAGR-PWSUYJOCSA-N 0 1 215.312 2.426 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cc(C)c(O)c(C)c1 ZINC000336538525 178148908 /nfs/dbraw/zinc/14/89/08/178148908.db2.gz WQFGXZLIXGSSAM-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN CN(Cc1scnc1C1CC1)[C@H]1CCOC1 ZINC000494981398 538927341 /nfs/dbraw/zinc/92/73/41/538927341.db2.gz SRWBOMMZOOMNIF-JTQLQIEISA-N 0 1 238.356 2.241 20 0 BEADMN C[N@@H+](CCc1ccccc1F)C(C)(C)C(=O)[O-] ZINC000258877556 349519220 /nfs/dbraw/zinc/51/92/20/349519220.db2.gz VHXNCDIHUVBQHI-UHFFFAOYSA-N 0 1 239.290 2.163 20 0 BEADMN c1c[nH]c([C@H](NCC2CCC2)c2cccnc2)n1 ZINC000195003513 136221252 /nfs/dbraw/zinc/22/12/52/136221252.db2.gz MMOQMWHGTOEYPB-CYBMUJFWSA-N 0 1 242.326 2.284 20 0 BEADMN CCC(CC)CC(=O)NCCN1CC=CCC1 ZINC000357632064 168344873 /nfs/dbraw/zinc/34/48/73/168344873.db2.gz JVBNMNLZFWAUAZ-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCNC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000273805916 538928297 /nfs/dbraw/zinc/92/82/97/538928297.db2.gz BWLWTWSHMRZRNI-CQSZACIVSA-N 0 1 246.354 2.350 20 0 BEADMN COCC1CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428217438 398222687 /nfs/dbraw/zinc/22/26/87/398222687.db2.gz JOASWVYBZGECPU-LBPRGKRZSA-N 0 1 249.358 2.204 20 0 BEADMN CCN(CCCO)Cc1oc(C(C)C)nc1C ZINC000428216013 398222767 /nfs/dbraw/zinc/22/27/67/398222767.db2.gz DGPWIFSYRPNFNL-UHFFFAOYSA-N 0 1 240.347 2.311 20 0 BEADMN CCC(CC)CN1CC(OCC(F)F)C1 ZINC000336650372 168350082 /nfs/dbraw/zinc/35/00/82/168350082.db2.gz SPULKORALNVMNK-UHFFFAOYSA-N 0 1 221.291 2.389 20 0 BEADMN Cc1c(CNCc2cc(C)nc(C)c2)cnn1C ZINC000421382337 192325978 /nfs/dbraw/zinc/32/59/78/192325978.db2.gz MZQRYDVNRNZMNX-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN C[C@@H](c1ccco1)N(C)C(=O)CCc1cnc[nH]1 ZINC000276386337 538932671 /nfs/dbraw/zinc/93/26/71/538932671.db2.gz FIMAPDOOAYLMTP-JTQLQIEISA-N 0 1 247.298 2.155 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CC12CCCC2 ZINC000387121278 398226871 /nfs/dbraw/zinc/22/68/71/398226871.db2.gz KJMXNYIJTPKBRY-LLVKDONJSA-N 0 1 234.347 2.281 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000192612486 178202472 /nfs/dbraw/zinc/20/24/72/178202472.db2.gz FWKAMTLQWUXJHG-LSJOCFKGSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)n1 ZINC000192612486 178202473 /nfs/dbraw/zinc/20/24/73/178202473.db2.gz FWKAMTLQWUXJHG-LSJOCFKGSA-N 0 1 235.331 2.282 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000629877423 361748311 /nfs/dbraw/zinc/74/83/11/361748311.db2.gz MLNMKFAWLBHXPL-DLGQBQFBSA-N 0 1 247.342 2.157 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC3(CCC3)C2)n1 ZINC000192620770 178202838 /nfs/dbraw/zinc/20/28/38/178202838.db2.gz RFDXPNUJWLMCOF-NSHDSACASA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC3(CCC3)C2)n1 ZINC000192620770 178202841 /nfs/dbraw/zinc/20/28/41/178202841.db2.gz RFDXPNUJWLMCOF-NSHDSACASA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000177912223 178204039 /nfs/dbraw/zinc/20/40/39/178204039.db2.gz VRPXKROZAPNDBK-ONGXEEELSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000177912223 178204040 /nfs/dbraw/zinc/20/40/40/178204040.db2.gz VRPXKROZAPNDBK-ONGXEEELSA-N 0 1 235.331 2.284 20 0 BEADMN C/C=C/C[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000629881657 361752562 /nfs/dbraw/zinc/75/25/62/361752562.db2.gz YACYDMFZJMMTII-KXMPLOMGSA-N 0 1 233.315 2.228 20 0 BEADMN C/C=C\C[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000629881659 361752761 /nfs/dbraw/zinc/75/27/61/361752761.db2.gz YACYDMFZJMMTII-QUCGXOGASA-N 0 1 233.315 2.228 20 0 BEADMN Cc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)o1 ZINC000164467470 361759500 /nfs/dbraw/zinc/75/95/00/361759500.db2.gz JCENVBNZNXBVSS-UYNUJQBQSA-N 0 1 229.345 2.006 20 0 BEADMN COC(=O)c1ccc(CN2CCC[C@@H]2C)o1 ZINC000076115407 398231840 /nfs/dbraw/zinc/23/18/40/398231840.db2.gz VKVLCRUSELZOJA-VIFPVBQESA-N 0 1 223.272 2.051 20 0 BEADMN Cc1cc([C@@H](C)NCC2(CCO)CCC2)no1 ZINC000332046256 178221879 /nfs/dbraw/zinc/22/18/79/178221879.db2.gz YTEXBJDFOOZZLS-LLVKDONJSA-N 0 1 238.331 2.186 20 0 BEADMN Cc1nc(C)c(CNc2ccc3c(n2)CCC3)o1 ZINC000382179844 361775261 /nfs/dbraw/zinc/77/52/61/361775261.db2.gz BADYLUSKJWTSKW-UHFFFAOYSA-N 0 1 243.310 2.209 20 0 BEADMN Cc1cc([C@@H](C)NCCCOCC2CC2)no1 ZINC000340469788 178224807 /nfs/dbraw/zinc/22/48/07/178224807.db2.gz LROJLTKBXYJNQO-LLVKDONJSA-N 0 1 238.331 2.450 20 0 BEADMN Cc1cc([C@@H](C)NC[C@@]2(C)CCCO2)no1 ZINC000336730425 178227225 /nfs/dbraw/zinc/22/72/25/178227225.db2.gz DPMYFPDLFRMWPL-ZYHUDNBSSA-N 0 1 224.304 2.203 20 0 BEADMN Cc1cc([C@@H](C)NC[C@H](O)C(F)F)oc1C ZINC000309564120 178227953 /nfs/dbraw/zinc/22/79/53/178227953.db2.gz LUWNCYUFEDTUGZ-APPZFPTMSA-N 0 1 233.258 2.173 20 0 BEADMN Cc1cc([C@@H](C)NCc2cncn2C)c(C)o1 ZINC000112344353 178228436 /nfs/dbraw/zinc/22/84/36/178228436.db2.gz LHXGBJNFWZYUIH-SNVBAGLBSA-N 0 1 233.315 2.481 20 0 BEADMN Cc1cc([C@@H](C)NC[C@](C)(O)C(C)C)no1 ZINC000309523939 178228533 /nfs/dbraw/zinc/22/85/33/178228533.db2.gz AUCLYFKMSDGKAC-PWSUYJOCSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@@H](C)NCc2c[nH]nn2)c(C)s1 ZINC000284019557 178228949 /nfs/dbraw/zinc/22/89/49/178228949.db2.gz OFEDXLGOGPTMHU-MRVPVSSYSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cc([C@@H](C)NC[C@]2(C)CCOC2)no1 ZINC000309579145 178229074 /nfs/dbraw/zinc/22/90/74/178229074.db2.gz PVTZMDFMQMWBKC-PWSUYJOCSA-N 0 1 224.304 2.060 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CO)CC2CCC2)no1 ZINC000353674787 178230995 /nfs/dbraw/zinc/23/09/95/178230995.db2.gz XKQOHZGDIKQLMC-ZYHUDNBSSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(C)C)c(C)o1 ZINC000036794407 178231249 /nfs/dbraw/zinc/23/12/49/178231249.db2.gz NDQOVXMRPQWMEI-NXEZZACHSA-N 0 1 238.331 2.024 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CCO)C(C)(C)C)no1 ZINC000330799354 178233364 /nfs/dbraw/zinc/23/33/64/178233364.db2.gz BXFMGIOYIVOPSB-ZYHUDNBSSA-N 0 1 240.347 2.431 20 0 BEADMN CCC(CC)CNC(=O)CN(C)C1CCC1 ZINC000629957175 361801543 /nfs/dbraw/zinc/80/15/43/361801543.db2.gz IEKAULDUYSHKRY-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1cc([C@@H]2CCCN2C[C@H](O)C(C)C)no1 ZINC000374092439 178240375 /nfs/dbraw/zinc/24/03/75/178240375.db2.gz DVRWKUCBBIPCMG-STQMWFEESA-N 0 1 238.331 2.137 20 0 BEADMN CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000280691013 538937797 /nfs/dbraw/zinc/93/77/97/538937797.db2.gz WRZJAHMXHUSCHL-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN Cc1cc([C@H](C)NCCCC(C)(C)CO)no1 ZINC000340476489 178246666 /nfs/dbraw/zinc/24/66/66/178246666.db2.gz QSQKKSMYMWIDBB-NSHDSACASA-N 0 1 240.347 2.432 20 0 BEADMN Cc1cc([C@H](C)NCCCOCC2CC2)no1 ZINC000340469789 178246788 /nfs/dbraw/zinc/24/67/88/178246788.db2.gz LROJLTKBXYJNQO-NSHDSACASA-N 0 1 238.331 2.450 20 0 BEADMN Cc1cc([C@H](C)NCC2(CO)CCCC2)no1 ZINC000340498396 178247305 /nfs/dbraw/zinc/24/73/05/178247305.db2.gz OUVOSRJRDCOBQQ-NSHDSACASA-N 0 1 238.331 2.186 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CCO)C(C)(C)C)no1 ZINC000330799352 178253842 /nfs/dbraw/zinc/25/38/42/178253842.db2.gz BXFMGIOYIVOPSB-JQWIXIFHSA-N 0 1 240.347 2.431 20 0 BEADMN COC(=O)c1csc(CN(C)C2CC2)c1 ZINC000602439175 349525757 /nfs/dbraw/zinc/52/57/57/349525757.db2.gz IOURGUDGIWWMTH-UHFFFAOYSA-N 0 1 225.313 2.129 20 0 BEADMN C[C@@H](N[C@@H]1COc2ccccc2C1)c1ncc[nH]1 ZINC000279101175 538935704 /nfs/dbraw/zinc/93/57/04/538935704.db2.gz VENIYAVKJFEFJQ-PWSUYJOCSA-N 0 1 243.310 2.064 20 0 BEADMN Cc1ccc(CNC(=O)CCc2cnc[nH]2)s1 ZINC000279549457 538935882 /nfs/dbraw/zinc/93/58/82/538935882.db2.gz ALKPHZSXBNQEFM-UHFFFAOYSA-N 0 1 249.339 2.029 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CCO)C(C)C)no1 ZINC000290612770 178254619 /nfs/dbraw/zinc/25/46/19/178254619.db2.gz IAYSCMHTYDOSEZ-QWRGUYRKSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCOC2(C)C)no1 ZINC000296304375 178257211 /nfs/dbraw/zinc/25/72/11/178257211.db2.gz GAKAOIXDULCNGA-ONGXEEELSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCO[C@H](C)C2)no1 ZINC000282831417 178257470 /nfs/dbraw/zinc/25/74/70/178257470.db2.gz ZHTPXNIMHWPWCG-MIMYLULJSA-N 0 1 224.304 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCC[C@H]2CCO)no1 ZINC000330493020 178257484 /nfs/dbraw/zinc/25/74/84/178257484.db2.gz LNFQGFOSPSIFQE-SRVKXCTJSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CCO[C@H]2C2CC2)no1 ZINC000368084989 178258009 /nfs/dbraw/zinc/25/80/09/178258009.db2.gz SFVLVLCSGKRIFA-GAFUQQFSSA-N 0 1 236.315 2.201 20 0 BEADMN CCCN(CC(C)C)C(=O)CCc1cnc[nH]1 ZINC000280840064 538938112 /nfs/dbraw/zinc/93/81/12/538938112.db2.gz KPCHCNKKKQMHKH-UHFFFAOYSA-N 0 1 237.347 2.237 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000629964794 361812595 /nfs/dbraw/zinc/81/25/95/361812595.db2.gz IPJGGAHUANHDRP-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@H](O)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000336776057 398239870 /nfs/dbraw/zinc/23/98/70/398239870.db2.gz DOHSMHVNIGISAC-IUCAKERBSA-N 0 1 240.372 2.053 20 0 BEADMN CC[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC000629970393 361818831 /nfs/dbraw/zinc/81/88/31/361818831.db2.gz KVTDJMFLSRSPHK-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000094525538 398245203 /nfs/dbraw/zinc/24/52/03/398245203.db2.gz VXAOEPDCHWVMDT-JTQLQIEISA-N 0 1 233.311 2.469 20 0 BEADMN C[C@@H](NCCN(C)c1ccccc1)c1ncc[nH]1 ZINC000285638103 538941880 /nfs/dbraw/zinc/94/18/80/538941880.db2.gz LQCFKPQQGRNKKZ-GFCCVEGCSA-N 0 1 244.342 2.197 20 0 BEADMN Cc1ccnc(NCCC[C@H](C)CO)c1 ZINC000230146704 136227927 /nfs/dbraw/zinc/22/79/27/136227927.db2.gz NZPDTMHBGFUKFT-NSHDSACASA-N 0 1 208.305 2.211 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC000629974092 361822910 /nfs/dbraw/zinc/82/29/10/361822910.db2.gz LGJYASPCIRPALQ-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@H](NCCOc1ccccc1)c1ncc[nH]1 ZINC000285553717 538941624 /nfs/dbraw/zinc/94/16/24/538941624.db2.gz GUDJOLFKEDLHPF-NSHDSACASA-N 0 1 231.299 2.139 20 0 BEADMN CCC(CC)CN[C@H](C)c1nc(C)no1 ZINC000308929353 168364161 /nfs/dbraw/zinc/36/41/61/168364161.db2.gz JCQIBKKJTUIYAL-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN CC[C@@H](C)[C@@H](CNCc1cc(C)no1)OC ZINC000381286883 398247725 /nfs/dbraw/zinc/24/77/25/398247725.db2.gz MREHSSZCHBMDRF-BXKDBHETSA-N 0 1 226.320 2.134 20 0 BEADMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000517750883 259309052 /nfs/dbraw/zinc/30/90/52/259309052.db2.gz URMBGRWCSPTRBB-UHFFFAOYSA-N 0 1 223.272 2.351 20 0 BEADMN CCCC[C@H](COC)N[C@@H](C)c1ncc[nH]1 ZINC000285893181 538942788 /nfs/dbraw/zinc/94/27/88/538942788.db2.gz CIYPXGRSEXPGKG-WDEREUQCSA-N 0 1 225.336 2.266 20 0 BEADMN Cc1ccnc(NCCCc2nccs2)c1 ZINC000336718638 178309418 /nfs/dbraw/zinc/30/94/18/178309418.db2.gz XTTZQCDDWBAQKO-UHFFFAOYSA-N 0 1 233.340 2.313 20 0 BEADMN CCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)[O-])o1 ZINC000576668378 365654062 /nfs/dbraw/zinc/65/40/62/365654062.db2.gz WZTQBUMZQHIAGO-GXSJLCMTSA-N 0 1 237.299 2.452 20 0 BEADMN CCc1cc(CN[C@H]2CC[C@@H]2SC)on1 ZINC000576631209 365642066 /nfs/dbraw/zinc/64/20/66/365642066.db2.gz RXGHMTZJRPTPPZ-QWRGUYRKSA-N 0 1 226.345 2.221 20 0 BEADMN C[C@H](C[N@H+]1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000380800476 398251889 /nfs/dbraw/zinc/25/18/89/398251889.db2.gz HZETXIBIBBWYQJ-MNOVXSKESA-N 0 1 227.348 2.465 20 0 BEADMN C[C@@H]1[C@@H](NC(=O)CCC(C)(C)C)CCC[N@H+]1C ZINC000343516739 136230876 /nfs/dbraw/zinc/23/08/76/136230876.db2.gz RLRUTCZEDXVYBB-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1[C@H](NC(=O)CCC(C)(C)C)CCC[N@H+]1C ZINC000343516742 136230921 /nfs/dbraw/zinc/23/09/21/136230921.db2.gz RLRUTCZEDXVYBB-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN CCC(CC)N(CC)C(=O)c1cnc(C)[nH]1 ZINC000292358142 168370145 /nfs/dbraw/zinc/37/01/45/168370145.db2.gz YNOOLVYMKPXYAT-UHFFFAOYSA-N 0 1 223.320 2.369 20 0 BEADMN Cc1cccc(NC(=O)c2ncccc2O)c1O ZINC000174982147 538948949 /nfs/dbraw/zinc/94/89/49/538948949.db2.gz WWBNUDZTALKVML-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299896261 398264043 /nfs/dbraw/zinc/26/40/43/398264043.db2.gz MVEVCUDZCXTWAE-SRVKXCTJSA-N 0 1 225.332 2.218 20 0 BEADMN CCC(CC)[N@@H+](CCOC)Cc1nccn1C ZINC000102928544 168374028 /nfs/dbraw/zinc/37/40/28/168374028.db2.gz SDIXLWHXDXIXAT-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN CCC(CC)N(CCOC)Cc1nccn1C ZINC000102928544 168374029 /nfs/dbraw/zinc/37/40/29/168374029.db2.gz SDIXLWHXDXIXAT-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cc2[nH]cnc2cc1F ZINC000335111333 136233126 /nfs/dbraw/zinc/23/31/26/136233126.db2.gz GRTUZGCYOAVSQS-HTQZYQBOSA-N 0 1 247.273 2.325 20 0 BEADMN O=C(NCc1ccoc1)c1ccc(F)cc1O ZINC000179001788 538954617 /nfs/dbraw/zinc/95/46/17/538954617.db2.gz LDFGSZLYUWUNTR-UHFFFAOYSA-N 0 1 235.214 2.054 20 0 BEADMN CCN(CC)Cc1ccnn1CC(C)C ZINC000647998718 398268880 /nfs/dbraw/zinc/26/88/80/398268880.db2.gz FSJFEGDAROKLHE-UHFFFAOYSA-N 0 1 209.337 2.381 20 0 BEADMN C(Nc1nc(C2CC2)ns1)[C@@H]1C[C@H]1C1CC1 ZINC000378831022 346843489 /nfs/dbraw/zinc/84/34/89/346843489.db2.gz RXYBZQRCOKREGC-UWVGGRQHSA-N 0 1 235.356 2.295 20 0 BEADMN Cc1ccc(CC[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1 ZINC000650502226 398273762 /nfs/dbraw/zinc/27/37/62/398273762.db2.gz QAVFTNFAUCORBG-TZMCWYRMSA-N 0 1 247.338 2.475 20 0 BEADMN CSC[C@@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000600121007 342677854 /nfs/dbraw/zinc/67/78/54/342677854.db2.gz OXVHYHDJWVWKEW-NSHDSACASA-N 0 1 239.388 2.354 20 0 BEADMN COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000650500969 398274766 /nfs/dbraw/zinc/27/47/66/398274766.db2.gz HPGFMVCYAYYHQA-GWCFXTLKSA-N 0 1 249.310 2.133 20 0 BEADMN CCOCCN[C@@H](C)c1nc(C)sc1C ZINC000036228358 538958690 /nfs/dbraw/zinc/95/86/90/538958690.db2.gz UOBAIQQGCCIRHE-QMMMGPOBSA-N 0 1 228.361 2.447 20 0 BEADMN Cc1ccc(CC[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000650510793 398275641 /nfs/dbraw/zinc/27/56/41/398275641.db2.gz PZTVJPGWMIMWGF-UHFFFAOYSA-N 0 1 247.338 2.334 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN(C)CC(=O)OC ZINC000600113195 342671254 /nfs/dbraw/zinc/67/12/54/342671254.db2.gz VSFGWXWFJOWKGK-VXGBXAGGSA-N 0 1 227.348 2.308 20 0 BEADMN CCCC[C@@H](C)N(C)CC(=O)OCC ZINC000308654731 342693642 /nfs/dbraw/zinc/69/36/42/342693642.db2.gz MUSDDIFUHHFZEF-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CCN(CCSC)Cc1cnc(C)o1 ZINC000600173429 342695494 /nfs/dbraw/zinc/69/54/94/342695494.db2.gz PBPTXRSOQZDTSM-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cc2n(n1)CCC2 ZINC000649480098 398277484 /nfs/dbraw/zinc/27/74/84/398277484.db2.gz SLGZAVWYLSEDSD-SNVBAGLBSA-N 0 1 219.332 2.060 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2ccno2)C12CCC2 ZINC000231884452 342741548 /nfs/dbraw/zinc/74/15/48/342741548.db2.gz VUUAMGXFGRECGU-NEPJUHHUSA-N 0 1 236.315 2.112 20 0 BEADMN CCc1nc(CN[C@@H](C)[C@@H](C)OC)cs1 ZINC000167454686 361866260 /nfs/dbraw/zinc/86/62/60/361866260.db2.gz NRIJVMNWHAHWPK-DTWKUNHWSA-N 0 1 228.361 2.219 20 0 BEADMN CCC(CC)CNC(=O)c1cnccc1N(C)C ZINC000183561736 538967243 /nfs/dbraw/zinc/96/72/43/538967243.db2.gz OBNZZUXUSBTDRH-UHFFFAOYSA-N 0 1 249.358 2.314 20 0 BEADMN CCC(CC)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000019514892 168384868 /nfs/dbraw/zinc/38/48/68/168384868.db2.gz BVAWQSCYSRKIPW-CQSZACIVSA-N 0 1 246.354 2.006 20 0 BEADMN CC[C@@H]1CN(CC)CCN1C(=O)OC1CCC1 ZINC000496516312 529387676 /nfs/dbraw/zinc/38/76/76/529387676.db2.gz CJAGJCCGDCVCQQ-LLVKDONJSA-N 0 1 240.347 2.092 20 0 BEADMN CN(CC(=O)NCC1=CCCCC1)C1CCC1 ZINC000629995546 361884087 /nfs/dbraw/zinc/88/40/87/361884087.db2.gz AAQLNCOQCVJVRZ-UHFFFAOYSA-N 0 1 236.359 2.087 20 0 BEADMN COCCc1cc(=O)n(-c2cccc(C)c2)[nH]1 ZINC000634583200 342800266 /nfs/dbraw/zinc/80/02/66/342800266.db2.gz NVIRRGRRYRHJEL-UHFFFAOYSA-N 0 1 232.283 2.124 20 0 BEADMN C[C@@H](O)[C@H](C)N1CC(C)(CC(F)(F)F)C1 ZINC000453039822 488180824 /nfs/dbraw/zinc/18/08/24/488180824.db2.gz PIYAIPZVEGECGO-JGVFFNPUSA-N 0 1 225.254 2.030 20 0 BEADMN C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC000630011164 361898424 /nfs/dbraw/zinc/89/84/24/361898424.db2.gz YVQOKXXRMJTKME-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN COc1ccnc(CNC2(C3CC3)CC2)c1OC ZINC000530505336 342788062 /nfs/dbraw/zinc/78/80/62/342788062.db2.gz PQBDAJUGRMFNJI-UHFFFAOYSA-N 0 1 248.326 2.131 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC000630017381 361899825 /nfs/dbraw/zinc/89/98/25/361899825.db2.gz SWCLHXTZGQEVMV-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccccc3)c(=O)c21 ZINC000634582415 342798271 /nfs/dbraw/zinc/79/82/71/342798271.db2.gz SRWCGUCHLIOZKU-BXKDBHETSA-N 0 1 214.268 2.435 20 0 BEADMN Cc1cccc(-n2[nH]c([C@H]3CCOC3)cc2=O)c1 ZINC000634582798 342799675 /nfs/dbraw/zinc/79/96/75/342799675.db2.gz BNCAHUSHBXKPSE-NSHDSACASA-N 0 1 244.294 2.124 20 0 BEADMN C[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1cnc[nH]1 ZINC000188566354 538979389 /nfs/dbraw/zinc/97/93/89/538979389.db2.gz DMUAXHUOXBAGJV-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cnc(CCN2CCO[C@H](C)[C@H]2C)c(C)c1 ZINC000335464624 398289553 /nfs/dbraw/zinc/28/95/53/398289553.db2.gz XMUDOUSIXMARNC-ZIAGYGMSSA-N 0 1 248.370 2.350 20 0 BEADMN C[C@H](CF)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000380134229 538985706 /nfs/dbraw/zinc/98/57/06/538985706.db2.gz UGMDJJBFGXFIAR-MRVPVSSYSA-N 0 1 207.252 2.011 20 0 BEADMN CC[C@]1(NCc2ncc(C)s2)CCOC1 ZINC000380296097 538988522 /nfs/dbraw/zinc/98/85/22/538988522.db2.gz CSHAEEKVAKBHPI-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN Cc1nnc([C@@H](C)NCCC2CCC2)o1 ZINC000380333958 538989380 /nfs/dbraw/zinc/98/93/80/538989380.db2.gz PHHLLYVSVDRPDU-MRVPVSSYSA-N 0 1 209.293 2.219 20 0 BEADMN COC(=O)c1ccc(C[N@@H+](C)C(C)C)cc1F ZINC000230202752 398293431 /nfs/dbraw/zinc/29/34/31/398293431.db2.gz QUOPBHGWKBNSIQ-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN OC[C@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000379979770 538983085 /nfs/dbraw/zinc/98/30/85/538983085.db2.gz GSVRTLLDQHXNLN-NSHDSACASA-N 0 1 243.759 2.078 20 0 BEADMN CC(C)[C@@H](CO)CN[C@@H](C)c1cscn1 ZINC000380017429 538983851 /nfs/dbraw/zinc/98/38/51/538983851.db2.gz NKVACRHRYPWUFO-VHSXEESVSA-N 0 1 228.361 2.058 20 0 BEADMN CC(C)[C@H](CO)CN[C@H](C)c1cscn1 ZINC000380017430 538983935 /nfs/dbraw/zinc/98/39/35/538983935.db2.gz NKVACRHRYPWUFO-ZJUUUORDSA-N 0 1 228.361 2.058 20 0 BEADMN O=C([O-])CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000381529013 539003237 /nfs/dbraw/zinc/00/32/37/539003237.db2.gz YCYHTKWULJSATC-NSHDSACASA-N 0 1 223.247 2.047 20 0 BEADMN Cc1nccc(N[C@@H](CO)CC2CC2)c1Cl ZINC000381560810 539003631 /nfs/dbraw/zinc/00/36/31/539003631.db2.gz RBDAAEWCDFXWPW-SNVBAGLBSA-N 0 1 240.734 2.038 20 0 BEADMN C[C@H](NC(C)(C)C(F)F)[C@H]1CCOC1 ZINC000381562763 539003696 /nfs/dbraw/zinc/00/36/96/539003696.db2.gz UUOCAGCBVFIQBX-YUMQZZPRSA-N 0 1 207.264 2.045 20 0 BEADMN C[C@@H](NC(C)(C)C(F)F)[C@@H]1CCOC1 ZINC000381562760 539003803 /nfs/dbraw/zinc/00/38/03/539003803.db2.gz UUOCAGCBVFIQBX-HTQZYQBOSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@H]1CCCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000193290870 539004137 /nfs/dbraw/zinc/00/41/37/539004137.db2.gz QDRMSNKSQVDNRK-LBPRGKRZSA-N 0 1 249.358 2.381 20 0 BEADMN CCc1noc(CN[C@H]2CCC[C@@H]2CC)n1 ZINC000381606301 539004727 /nfs/dbraw/zinc/00/47/27/539004727.db2.gz QGOGTWVBAZVTON-UWVGGRQHSA-N 0 1 223.320 2.300 20 0 BEADMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000193338719 539004916 /nfs/dbraw/zinc/00/49/16/539004916.db2.gz UXVKTAHAMVGVFH-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN CCc1noc(CNC(C(C)C)C(C)C)n1 ZINC000381696639 539005842 /nfs/dbraw/zinc/00/58/42/539005842.db2.gz HQNGCXNWIDPCBS-UHFFFAOYSA-N 0 1 225.336 2.402 20 0 BEADMN CCN(CC)CC(=O)Nc1csc(C)c1 ZINC000634424783 361948744 /nfs/dbraw/zinc/94/87/44/361948744.db2.gz JLAOHSVXIXXTMV-UHFFFAOYSA-N 0 1 226.345 2.337 20 0 BEADMN CCCN(C)Cc1cc2n(n1)CCCC2 ZINC000649501963 398296839 /nfs/dbraw/zinc/29/68/39/398296839.db2.gz WSBHZQDGTPRUHG-UHFFFAOYSA-N 0 1 207.321 2.061 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CO)CC2CC2)cs1 ZINC000390609329 539026759 /nfs/dbraw/zinc/02/67/59/539026759.db2.gz DPPVRKFEIYSAHP-KWQFWETISA-N 0 1 240.372 2.263 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CC[C@H]2C2CC2)n1 ZINC000449481686 398300562 /nfs/dbraw/zinc/30/05/62/398300562.db2.gz VALIYIRGEQAHHK-GXSJLCMTSA-N 0 1 239.750 2.352 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CC[C@@H]2C2CC2)n1 ZINC000449481688 398300726 /nfs/dbraw/zinc/30/07/26/398300726.db2.gz VALIYIRGEQAHHK-MWLCHTKSSA-N 0 1 239.750 2.352 20 0 BEADMN CC(C)CCOCCN1CCO[C@H](C(C)C)C1 ZINC000351253987 136244119 /nfs/dbraw/zinc/24/41/19/136244119.db2.gz ONHHSRLSCOOCBZ-AWEZNQCLSA-N 0 1 243.391 2.406 20 0 BEADMN Cc1ccc(CCC[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000583999397 342866148 /nfs/dbraw/zinc/86/61/48/342866148.db2.gz HXLYGRCMUKJRSM-CQSZACIVSA-N 0 1 247.338 2.477 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCC(C)(F)F)CCO1 ZINC000382097697 398305051 /nfs/dbraw/zinc/30/50/51/398305051.db2.gz FJIDXGZSTXBULL-ZJUUUORDSA-N 0 1 221.291 2.435 20 0 BEADMN CSC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1C ZINC000134567003 342868668 /nfs/dbraw/zinc/86/86/68/342868668.db2.gz WMIKCULEPOCKKB-HTQZYQBOSA-N 0 1 213.350 2.120 20 0 BEADMN Clc1cnc(NCCC[C@@H]2CCOC2)s1 ZINC000649520039 398307094 /nfs/dbraw/zinc/30/70/94/398307094.db2.gz FDXPOSMSKUQSTC-MRVPVSSYSA-N 0 1 246.763 2.447 20 0 BEADMN C[C@H]1CN(Cc2nc3ccccc3o2)CC[C@@H]1O ZINC000167261080 136245167 /nfs/dbraw/zinc/24/51/67/136245167.db2.gz OXMPCCORMOYKOU-JQWIXIFHSA-N 0 1 246.310 2.031 20 0 BEADMN C=C(C)CC[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232781184 342880206 /nfs/dbraw/zinc/88/02/06/342880206.db2.gz OXUNLKDRKGPESO-CYBMUJFWSA-N 0 1 225.332 2.385 20 0 BEADMN C=C(CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232822938 342886093 /nfs/dbraw/zinc/88/60/93/342886093.db2.gz HOUFSTBIRPACGA-ZDUSSCGKSA-N 0 1 225.332 2.385 20 0 BEADMN OC[C@@H]1CCCN1Cc1cc(O)ccc1Cl ZINC000625137097 342887931 /nfs/dbraw/zinc/88/79/31/342887931.db2.gz GQFNXIZYZYGGCN-JTQLQIEISA-N 0 1 241.718 2.002 20 0 BEADMN CC[C@]1(C)CCCN(Cc2cncc(OC)n2)C1 ZINC000625201592 342909624 /nfs/dbraw/zinc/90/96/24/342909624.db2.gz YPKRPRYNZZOCRA-CQSZACIVSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1ccc(F)c(C[N@H+](C)C(C)(C)C(=O)[O-])c1 ZINC000234307195 342922096 /nfs/dbraw/zinc/92/20/96/342922096.db2.gz YJPJZWFSBZPJJB-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN CCC[C@@H]1CCCN(Cc2cncc(OC)n2)C1 ZINC000625220456 342919423 /nfs/dbraw/zinc/91/94/23/342919423.db2.gz ANBPUPSHCAZBGZ-GFCCVEGCSA-N 0 1 249.358 2.497 20 0 BEADMN CC(C)C1(CN2CC[C@H](C)[S@](=O)CC2)CC1 ZINC000602636460 349650383 /nfs/dbraw/zinc/65/03/83/349650383.db2.gz IISSLRZYFKDZPV-BLLLJJGKSA-N 0 1 243.416 2.266 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1nc2ccccc2o1 ZINC000634586063 342931135 /nfs/dbraw/zinc/93/11/35/342931135.db2.gz AQDPVSGJABOLNB-MRVPVSSYSA-N 0 1 241.250 2.331 20 0 BEADMN CCCCN1N=C(c2ccc(OC)cc2)CC1=O ZINC000634585673 342928636 /nfs/dbraw/zinc/92/86/36/342928636.db2.gz NXPSQTVPZLHFLI-UHFFFAOYSA-N 0 1 246.310 2.432 20 0 BEADMN c1nc2c(s1)CN(CCc1ccncc1)CC2 ZINC000351654624 136249615 /nfs/dbraw/zinc/24/96/15/136249615.db2.gz ZYUJUDPKJDUQEZ-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN CC[C@@H](C)N(CC(=O)OC)C[C@@](C)(CC)OC ZINC000602647191 349657421 /nfs/dbraw/zinc/65/74/21/349657421.db2.gz IUFTZIFTDHDYHK-DGCLKSJQSA-N 0 1 245.363 2.075 20 0 BEADMN CCC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC1 ZINC000185850236 342940955 /nfs/dbraw/zinc/94/09/55/342940955.db2.gz GPAIWYKSUUUXLJ-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000111209181 398332021 /nfs/dbraw/zinc/33/20/21/398332021.db2.gz HVXYSSXOJZCGJV-CYBMUJFWSA-N 0 1 227.311 2.399 20 0 BEADMN c1c[nH]c(CN2CC[C@H](c3ccccc3)C2)n1 ZINC000111209183 398332093 /nfs/dbraw/zinc/33/20/93/398332093.db2.gz HVXYSSXOJZCGJV-ZDUSSCGKSA-N 0 1 227.311 2.399 20 0 BEADMN COC(C)(C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000224034743 398333766 /nfs/dbraw/zinc/33/37/66/398333766.db2.gz UVDCXVRFDUBKNY-UHFFFAOYSA-N 0 1 247.298 2.235 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591442 342941903 /nfs/dbraw/zinc/94/19/03/342941903.db2.gz DDHIQZUTEJPWKP-ZYHUDNBSSA-N 0 1 243.310 2.216 20 0 BEADMN C[C@@H]1CCc2[nH]n(Cc3cccnc3)c(=O)c2C1 ZINC000634591441 342942043 /nfs/dbraw/zinc/94/20/43/342942043.db2.gz DDHIQZUTEJPWKP-PWSUYJOCSA-N 0 1 243.310 2.216 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1 ZINC000129545121 398340321 /nfs/dbraw/zinc/34/03/21/398340321.db2.gz XVQUIOJGQUAPEV-CQSZACIVSA-N 0 1 235.327 2.042 20 0 BEADMN CC(C)(C)OCCN1CCOC2(CCCC2)C1 ZINC000158029919 398340688 /nfs/dbraw/zinc/34/06/88/398340688.db2.gz UYNMIBCEJANMNP-UHFFFAOYSA-N 0 1 241.375 2.447 20 0 BEADMN COC(=O)c1cc(CN2CC[C@@H]2C2CC2)[nH]c1C ZINC000602679190 349671953 /nfs/dbraw/zinc/67/19/53/349671953.db2.gz PBSUJUPJZWZARD-CYBMUJFWSA-N 0 1 248.326 2.094 20 0 BEADMN COC[C@H](C)CN1CCn2cccc2[C@@H]1C ZINC000189540386 346898748 /nfs/dbraw/zinc/89/87/48/346898748.db2.gz HAYTWZZVSJBSGP-NEPJUHHUSA-N 0 1 222.332 2.147 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ccc(Cl)cn1 ZINC000634593717 342951314 /nfs/dbraw/zinc/95/13/14/342951314.db2.gz XYOZTPRFHBQFLL-QMMMGPOBSA-N 0 1 235.674 2.238 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)cc1 ZINC000634593577 342951442 /nfs/dbraw/zinc/95/14/42/342951442.db2.gz SVKSSCDGLNFVBE-JOYOIKCWSA-N 0 1 244.294 2.444 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)CC[C@@H]3C)cc1 ZINC000634593576 342951497 /nfs/dbraw/zinc/95/14/97/342951497.db2.gz SVKSSCDGLNFVBE-CABZTGNLSA-N 0 1 244.294 2.444 20 0 BEADMN CCOc1ccc(C2=NN(C(C)C)C(=O)C2)cc1 ZINC000634594628 342956079 /nfs/dbraw/zinc/95/60/79/342956079.db2.gz BORDBIQPKAJTTK-UHFFFAOYSA-N 0 1 246.310 2.430 20 0 BEADMN O=C1[C@H]2CCCC2=NN1c1ncccc1Cl ZINC000634594887 342956243 /nfs/dbraw/zinc/95/62/43/342956243.db2.gz JXVGZIIBWDYRSR-ZETCQYMHSA-N 0 1 235.674 2.238 20 0 BEADMN CC[C@@H](C)c1cc(=O)n([C@@H](C)C2CC2)[nH]1 ZINC000634597383 342973655 /nfs/dbraw/zinc/97/36/55/342973655.db2.gz IPFRGFQTKTUESQ-BDAKNGLRSA-N 0 1 208.305 2.419 20 0 BEADMN COc1ccc(Cn2[nH]c3c(c2=O)CCC3)cc1 ZINC000634597484 342974086 /nfs/dbraw/zinc/97/40/86/342974086.db2.gz LNHFVAUCRKQDLZ-GFCCVEGCSA-N 0 1 244.294 2.194 20 0 BEADMN CC1=NN(Cc2cc(F)ccc2F)C(=O)[C@@H]1C ZINC000634596254 342966116 /nfs/dbraw/zinc/96/61/16/342966116.db2.gz AJBDYRCJNMARED-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN Cc1[nH]n(Cc2cc(F)ccc2F)c(=O)c1C ZINC000634596254 342966117 /nfs/dbraw/zinc/96/61/17/342966117.db2.gz AJBDYRCJNMARED-SSDOTTSWSA-N 0 1 238.237 2.319 20 0 BEADMN CC[C@@H]1C(=O)N(c2cc(C)ncn2)N=C1C(C)C ZINC000634600645 342993550 /nfs/dbraw/zinc/99/35/50/342993550.db2.gz NURQYAJWZHCKHS-JTQLQIEISA-N 0 1 246.314 2.170 20 0 BEADMN CC(C)CCN1CCOC[C@@H]1c1cccn1C ZINC000162449783 349710259 /nfs/dbraw/zinc/71/02/59/349710259.db2.gz PBTWCUQXNIAHKO-CQSZACIVSA-N 0 1 236.359 2.445 20 0 BEADMN CSC1CCN(Cc2ccnc(C)n2)CC1 ZINC000602727403 349716336 /nfs/dbraw/zinc/71/63/36/349716336.db2.gz QSPOZZYGIHQJOR-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CC1=NN(CC(F)(F)C(F)(F)F)C(=O)[C@H]1C ZINC000634604935 342999167 /nfs/dbraw/zinc/99/91/67/342999167.db2.gz WLWNRNJJKAPDGD-BYPYZUCNSA-N 0 1 244.163 2.038 20 0 BEADMN Cc1[nH]n(CC(F)(F)C(F)(F)F)c(=O)c1C ZINC000634604935 342999169 /nfs/dbraw/zinc/99/91/69/342999169.db2.gz WLWNRNJJKAPDGD-BYPYZUCNSA-N 0 1 244.163 2.038 20 0 BEADMN Cc1cnccc1-n1[nH]c(C2CCC2)cc1=O ZINC000634606260 343001625 /nfs/dbraw/zinc/00/16/25/343001625.db2.gz LYMAKSNLNFJCGO-UHFFFAOYSA-N 0 1 229.283 2.283 20 0 BEADMN CCN(C#N)CCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000602780440 349745915 /nfs/dbraw/zinc/74/59/15/349745915.db2.gz UNVDUGOAOFRBSL-UKRRQHHQSA-N 0 1 243.354 2.482 20 0 BEADMN CCc1cc(=O)n(-c2ccncc2Cl)[nH]1 ZINC000634608404 343004076 /nfs/dbraw/zinc/00/40/76/343004076.db2.gz BIXMYNKGBURBIG-UHFFFAOYSA-N 0 1 223.663 2.238 20 0 BEADMN CCc1c(C)[nH]n(-c2ccncc2Cl)c1=O ZINC000634608682 343004489 /nfs/dbraw/zinc/00/44/89/343004489.db2.gz JPRZPEJJUQTKHD-QMMMGPOBSA-N 0 1 237.690 2.484 20 0 BEADMN O=C1[C@@H]2CCCC2=NN1c1ccncc1Cl ZINC000634608660 343004522 /nfs/dbraw/zinc/00/45/22/343004522.db2.gz JEPVQXXOFGKIFS-SSDOTTSWSA-N 0 1 235.674 2.238 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1Cl)CCC2 ZINC000634608660 343004524 /nfs/dbraw/zinc/00/45/24/343004524.db2.gz JEPVQXXOFGKIFS-SSDOTTSWSA-N 0 1 235.674 2.238 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccncc3Cl)c(=O)c21 ZINC000634608794 343004556 /nfs/dbraw/zinc/00/45/56/343004556.db2.gz MOBUBLBYKVKXOV-RDDDGLTNSA-N 0 1 249.701 2.484 20 0 BEADMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1C1CC1 ZINC000634608747 343004647 /nfs/dbraw/zinc/00/46/47/343004647.db2.gz LLQSJFHDRBYVSA-LLVKDONJSA-N 0 1 249.701 2.484 20 0 BEADMN CCCC1=NN(c2cccnn2)C(=O)[C@H]1CC ZINC000634607417 343005046 /nfs/dbraw/zinc/00/50/46/343005046.db2.gz WWOQNSYNTHLBRU-VIFPVBQESA-N 0 1 232.287 2.006 20 0 BEADMN CC[C@H]1CN(Cc2ccnc(C)n2)CCS1 ZINC000335901610 136259807 /nfs/dbraw/zinc/25/98/07/136259807.db2.gz RYAYHSJOUJPIOB-LBPRGKRZSA-N 0 1 237.372 2.112 20 0 BEADMN CCN(C#N)CCN(CC)Cc1ccccc1 ZINC000602758270 349732645 /nfs/dbraw/zinc/73/26/45/349732645.db2.gz YRBIZRCQAJFJSX-UHFFFAOYSA-N 0 1 231.343 2.311 20 0 BEADMN Cc1cccc(N2N=C3[C@H](C)CC[C@@H]3C2=O)n1 ZINC000634612764 343009865 /nfs/dbraw/zinc/00/98/65/343009865.db2.gz HTGHEYIQGRQJCW-SCZZXKLOSA-N 0 1 229.283 2.139 20 0 BEADMN CCc1cc(=O)n(CCc2ccc(OC)cc2)[nH]1 ZINC000634613065 343009990 /nfs/dbraw/zinc/00/99/90/343009990.db2.gz OHLWKWHRKCRZHR-UHFFFAOYSA-N 0 1 246.310 2.236 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])CCC1CC1 ZINC000308837838 259340557 /nfs/dbraw/zinc/34/05/57/259340557.db2.gz MADOWLGKQCETJU-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CCCCCn1[nH]c(C[C@@H]2CCCO2)cc1=O ZINC000634618795 343017756 /nfs/dbraw/zinc/01/77/56/343017756.db2.gz DGOCCMKQYPTFQP-LBPRGKRZSA-N 0 1 238.331 2.334 20 0 BEADMN CCCCCn1[nH]c2c(c1=O)CSCC2 ZINC000634618834 343017796 /nfs/dbraw/zinc/01/77/96/343017796.db2.gz FYCCMCYCDVPSSI-SECBINFHSA-N 0 1 226.345 2.128 20 0 BEADMN CC(C)OCCn1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000634620273 343018786 /nfs/dbraw/zinc/01/87/86/343018786.db2.gz YMUQARGKJMKLAP-GHMZBOCLSA-N 0 1 238.331 2.046 20 0 BEADMN CC(C)(C)CCn1[nH]c2c(c1=O)CCC2 ZINC000634621077 343020146 /nfs/dbraw/zinc/02/01/46/343020146.db2.gz YZCABRTZCVSBRQ-SECBINFHSA-N 0 1 208.305 2.421 20 0 BEADMN CCCC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1CC1 ZINC000046092950 343021306 /nfs/dbraw/zinc/02/13/06/343021306.db2.gz SVELHORDLRIUKG-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN CCc1cc(=O)n(-c2ccc(F)cc2OC)[nH]1 ZINC000634624415 343025510 /nfs/dbraw/zinc/02/55/10/343025510.db2.gz GVXFQVYWWUBLTR-UHFFFAOYSA-N 0 1 236.246 2.337 20 0 BEADMN CC[C@@H](C)N1N=C2c3ccccc3C[C@@H]2C1=O ZINC000634623309 343026991 /nfs/dbraw/zinc/02/69/91/343026991.db2.gz CFKRBTQFUICECQ-SKDRFNHKSA-N 0 1 228.295 2.204 20 0 BEADMN C[C@H](c1ccncc1)N1N=C2[C@H](C)CC[C@@H]2C1=O ZINC000634626350 343028092 /nfs/dbraw/zinc/02/80/92/343028092.db2.gz BYNQCOGTUMNMEY-FOGDFJRCSA-N 0 1 243.310 2.387 20 0 BEADMN C[C@H](c1ccncc1)n1[nH]c2c(c1=O)CC[C@H]2C ZINC000634626350 343028093 /nfs/dbraw/zinc/02/80/93/343028093.db2.gz BYNQCOGTUMNMEY-FOGDFJRCSA-N 0 1 243.310 2.387 20 0 BEADMN CCCCc1cc(=O)n(CCc2ccccn2)[nH]1 ZINC000634614404 343011601 /nfs/dbraw/zinc/01/16/01/343011601.db2.gz BNRCPBVKIDDXNW-UHFFFAOYSA-N 0 1 245.326 2.403 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1CCC(F)(F)C1 ZINC000383982029 343011892 /nfs/dbraw/zinc/01/18/92/343011892.db2.gz KFEXRSLLPUFTHG-SECBINFHSA-N 0 1 244.289 2.136 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC(=O)[O-])CC1(C)C ZINC000308852758 259340148 /nfs/dbraw/zinc/34/01/48/259340148.db2.gz OYTGWLUUNWZJOY-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H](n1[nH]c(C2(C)CC2)cc1=O)C(F)(F)F ZINC000634631610 343041997 /nfs/dbraw/zinc/04/19/97/343041997.db2.gz YTBGDJNHTKVOSE-LURJTMIESA-N 0 1 234.221 2.326 20 0 BEADMN CC(C)[N@H+](CC(=O)[O-])CC1CCCCC1 ZINC000037994828 343042761 /nfs/dbraw/zinc/04/27/61/343042761.db2.gz PSJHCECAPDUHBU-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN O=C1CC(c2ccccc2)=NN1C12CC(C1)C2 ZINC000634625870 343030706 /nfs/dbraw/zinc/03/07/06/343030706.db2.gz PVXZQQWHYPKTNQ-UHFFFAOYSA-N 0 1 226.279 2.176 20 0 BEADMN CCOC(=O)CN(CC[C@@H](C)F)C(C)(C)C ZINC000351879158 136262177 /nfs/dbraw/zinc/26/21/77/136262177.db2.gz HAWRKJZPJVSXAV-SNVBAGLBSA-N 0 1 233.327 2.398 20 0 BEADMN CCN(C#N)CCNC1(c2ccccc2)CC1 ZINC000602807563 349770483 /nfs/dbraw/zinc/77/04/83/349770483.db2.gz WEUQQKARGQDFNC-UHFFFAOYSA-N 0 1 229.327 2.068 20 0 BEADMN Cn1ccnc1N1N=C2CCCCCC[C@@H]2C1=O ZINC000634629777 343037945 /nfs/dbraw/zinc/03/79/45/343037945.db2.gz CPIITZOIECGFDJ-JTQLQIEISA-N 0 1 246.314 2.093 20 0 BEADMN COCCc1cc(=O)n(CC2(C)CCCC2)[nH]1 ZINC000634630230 343038909 /nfs/dbraw/zinc/03/89/09/343038909.db2.gz PSYOBWAXZDUBKK-UHFFFAOYSA-N 0 1 238.331 2.192 20 0 BEADMN CC1(c2cc(=O)n(-c3ccncc3F)[nH]2)CC1 ZINC000634633696 343046139 /nfs/dbraw/zinc/04/61/39/343046139.db2.gz CXOUGZIOUWDZGG-UHFFFAOYSA-N 0 1 233.246 2.114 20 0 BEADMN CC[C@H](C)CN(C)CN1CC(C)(C)OC1=O ZINC000494153181 529651270 /nfs/dbraw/zinc/65/12/70/529651270.db2.gz AIFPXCDXZSDYNC-JTQLQIEISA-N 0 1 228.336 2.153 20 0 BEADMN CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000022910517 343056506 /nfs/dbraw/zinc/05/65/06/343056506.db2.gz HBBWKBQMQASRLX-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN CCOC[C@@H]1CCN(Cc2nc(C)cs2)C1 ZINC000088603264 259344574 /nfs/dbraw/zinc/34/45/74/259344574.db2.gz AYQMGOSRNISZNR-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN Cc1csc(CNC[C@@H]2CCCCO2)n1 ZINC000038091468 343061962 /nfs/dbraw/zinc/06/19/62/343061962.db2.gz DQAMZRGEHBGKKU-JTQLQIEISA-N 0 1 226.345 2.110 20 0 BEADMN Cc1ccoc1CNCCOCC1CCC1 ZINC000309842316 343063854 /nfs/dbraw/zinc/06/38/54/343063854.db2.gz DWHXNBBLRIUAKG-UHFFFAOYSA-N 0 1 223.316 2.494 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000235903682 343066858 /nfs/dbraw/zinc/06/68/58/343066858.db2.gz MUYVDOUDUZRXPJ-SNVBAGLBSA-N 0 1 237.274 2.041 20 0 BEADMN CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000247096148 343068300 /nfs/dbraw/zinc/06/83/00/343068300.db2.gz ODMMLSXGHWMTSZ-JSGCOSHPSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@H]1C(=O)NCCN1C[C@H](C)c1ccccc1 ZINC000247096148 343068301 /nfs/dbraw/zinc/06/83/01/343068301.db2.gz ODMMLSXGHWMTSZ-JSGCOSHPSA-N 0 1 246.354 2.001 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@H]2C)n1C ZINC000247100725 343070064 /nfs/dbraw/zinc/07/00/64/343070064.db2.gz XWSZTUKASQHATP-GHMZBOCLSA-N 0 1 236.363 2.134 20 0 BEADMN Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cn1 ZINC000336626983 136264663 /nfs/dbraw/zinc/26/46/63/136264663.db2.gz XSCAKKHCGZFMDV-CYBMUJFWSA-N 0 1 231.343 2.185 20 0 BEADMN CC(C)=CCn1cc([C@H](N)c2ccccc2)nn1 ZINC000640846142 362064748 /nfs/dbraw/zinc/06/47/48/362064748.db2.gz HSEOEXQLPWERDJ-CQSZACIVSA-N 0 1 242.326 2.292 20 0 BEADMN CNCc1cn([C@H](C)CCc2ccccc2)nn1 ZINC000640986716 362103656 /nfs/dbraw/zinc/10/36/56/362103656.db2.gz IDNDOLAYPYXNDB-GFCCVEGCSA-N 0 1 244.342 2.191 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000092940512 343148780 /nfs/dbraw/zinc/14/87/80/343148780.db2.gz YMSMEWDMQJJPJV-AAEUAGOBSA-N 0 1 233.311 2.290 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000028835291 343133594 /nfs/dbraw/zinc/13/35/94/343133594.db2.gz MBOYLDLNNCPHKS-NXEZZACHSA-N 0 1 235.331 2.090 20 0 BEADMN CC[C@H]1CCCC[C@H]1N(C)Cc1nncn1C ZINC000120780259 343134332 /nfs/dbraw/zinc/13/43/32/343134332.db2.gz JIGBYNNYYKXJJC-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])n1 ZINC000129433509 343177440 /nfs/dbraw/zinc/17/74/40/343177440.db2.gz BKFDLBWODAJOCE-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1cc(C[N@H+](C)C2CCC2)oc1C(=O)[O-] ZINC000127588437 343178648 /nfs/dbraw/zinc/17/86/48/343178648.db2.gz BLZBBEIXKDCWKL-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN C[C@H]1C[N@H+](Cc2ccoc2C(=O)[O-])CC[C@@H]1C ZINC000130277277 343180954 /nfs/dbraw/zinc/18/09/54/343180954.db2.gz TVDLWEDQNSGPRY-UWVGGRQHSA-N 0 1 237.299 2.456 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C[C@@H]1C ZINC000130275615 343180963 /nfs/dbraw/zinc/18/09/63/343180963.db2.gz GFGSHFCUUYEMAE-ZJUUUORDSA-N 0 1 237.299 2.456 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000050426991 343152995 /nfs/dbraw/zinc/15/29/95/343152995.db2.gz SCSLUCOSIKNJOX-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@@H]1C ZINC000094762665 343157194 /nfs/dbraw/zinc/15/71/94/343157194.db2.gz XJCWALCVOPDVMM-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(C)CCCCC1 ZINC000576955012 365731696 /nfs/dbraw/zinc/73/16/96/365731696.db2.gz VCZGXJBHTYFSGK-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN CCn1cc(CN(C)Cc2cccc(N)c2)cn1 ZINC000050540159 343162935 /nfs/dbraw/zinc/16/29/35/343162935.db2.gz ZBJRQTRVBMFSPP-UHFFFAOYSA-N 0 1 244.342 2.117 20 0 BEADMN C[C@@H](C[N@@H+](C)CCC(=O)[O-])C(C)(C)C ZINC000308515879 488205727 /nfs/dbraw/zinc/20/57/27/488205727.db2.gz FGQVLAGYUPZTDC-VIFPVBQESA-N 0 1 201.310 2.075 20 0 BEADMN Cc1cnn(CCN(C)Cc2cccc(O)c2)c1 ZINC000576964325 365735849 /nfs/dbraw/zinc/73/58/49/365735849.db2.gz TWJYBVMQAOPTIE-UHFFFAOYSA-N 0 1 245.326 2.029 20 0 BEADMN C[C@@H]1Cc2[nH+]cn(CCCC(=O)[O-])c2C[C@@H]1C ZINC000379925218 365737139 /nfs/dbraw/zinc/73/71/39/365737139.db2.gz SBHDFRKVRCRKLJ-ZJUUUORDSA-N 0 1 236.315 2.119 20 0 BEADMN CC[C@@H](C)[C@@H](O)CNCc1ncc(Cl)s1 ZINC000309209090 136274858 /nfs/dbraw/zinc/27/48/58/136274858.db2.gz SLPSGBDMSPNBLH-SFYZADRCSA-N 0 1 248.779 2.293 20 0 BEADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCCF ZINC000161055632 343204258 /nfs/dbraw/zinc/20/42/58/343204258.db2.gz WTSHPMGNVLJAJD-LBPRGKRZSA-N 0 1 237.274 2.030 20 0 BEADMN CC(C)(C)CNC(=O)CN1CCC2(CC2)CC1 ZINC000625277310 343217057 /nfs/dbraw/zinc/21/70/57/343217057.db2.gz SUVCDDPXSANSKL-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000132048542 343187135 /nfs/dbraw/zinc/18/71/35/343187135.db2.gz GNLICJASKJLLSU-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000133103169 343189810 /nfs/dbraw/zinc/18/98/10/343189810.db2.gz BRRZMBLZICIHDR-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN CC[C@@H]1CCCCN1CC(=O)c1cccn1C ZINC000035018575 343283040 /nfs/dbraw/zinc/28/30/40/343283040.db2.gz NNCTTYAEGAXGNE-GFCCVEGCSA-N 0 1 234.343 2.472 20 0 BEADMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000051330335 343255923 /nfs/dbraw/zinc/25/59/23/343255923.db2.gz IDRYTNBGPNTJSE-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN CC[C@]1(NCc2ncccc2Cl)CCOC1 ZINC000625368082 343260643 /nfs/dbraw/zinc/26/06/43/343260643.db2.gz ZQQWGSKWVVZFKE-LBPRGKRZSA-N 0 1 240.734 2.394 20 0 BEADMN C=Cn1cc(CN(C)CCOC(C)(C)C)cn1 ZINC000683699868 488210217 /nfs/dbraw/zinc/21/02/17/488210217.db2.gz RWEWAEBXUPXVLR-UHFFFAOYSA-N 0 1 237.347 2.231 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@H+]2CC=CCC2)c1 ZINC000634690065 343271535 /nfs/dbraw/zinc/27/15/35/343271535.db2.gz CEOCQPCURTVWCO-CYBMUJFWSA-N 0 1 247.294 2.083 20 0 BEADMN COc1cccc([C@H](C(=O)[O-])[N@@H+]2CC=CCC2)c1 ZINC000634690065 343271538 /nfs/dbraw/zinc/27/15/38/343271538.db2.gz CEOCQPCURTVWCO-CYBMUJFWSA-N 0 1 247.294 2.083 20 0 BEADMN COC(=O)CCN[C@H](C)c1ccc(F)cc1F ZINC000036803968 343324428 /nfs/dbraw/zinc/32/44/28/343324428.db2.gz HESIDSWNAASMGL-MRVPVSSYSA-N 0 1 243.253 2.179 20 0 BEADMN Cc1nnc([C@@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000380179448 343326304 /nfs/dbraw/zinc/32/63/04/343326304.db2.gz FVXCBCFWYXPOHW-VXNVDRBHSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000035602025 343298729 /nfs/dbraw/zinc/29/87/29/343298729.db2.gz TXJSXJBJZNAVJK-SWLSCSKDSA-N 0 1 242.322 2.141 20 0 BEADMN C[C@@H](O)CN[C@H](c1ccccc1)c1ccccn1 ZINC000035602026 343298758 /nfs/dbraw/zinc/29/87/58/343298758.db2.gz TXJSXJBJZNAVJK-IUODEOHRSA-N 0 1 242.322 2.141 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3CC34CC4)c2[nH]1 ZINC000584049120 343306847 /nfs/dbraw/zinc/30/68/47/343306847.db2.gz ZITOOCXFMMWRDK-LLVKDONJSA-N 0 1 241.294 2.154 20 0 BEADMN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1 ZINC000621371519 343308962 /nfs/dbraw/zinc/30/89/62/343308962.db2.gz FSBQRKRGQRWFHS-TZMCWYRMSA-N 0 1 249.354 2.146 20 0 BEADMN CCN(CC1CCC1)[C@H](C)c1nccc(N)n1 ZINC000584060995 343309933 /nfs/dbraw/zinc/30/99/33/343309933.db2.gz SRPWIHJPLAHISZ-SNVBAGLBSA-N 0 1 234.347 2.072 20 0 BEADMN Cc1cc(C(=O)NCc2cn[nH]c2C)sc1C ZINC000037990072 343364576 /nfs/dbraw/zinc/36/45/76/343364576.db2.gz XCFQTWUKAZGICP-UHFFFAOYSA-N 0 1 249.339 2.326 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nc(C)cs1 ZINC000038091128 343371306 /nfs/dbraw/zinc/37/13/06/343371306.db2.gz CNOCELRIBDTLBR-GHMZBOCLSA-N 0 1 240.372 2.499 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnn(CC(C)C)c1 ZINC000348837004 136302016 /nfs/dbraw/zinc/30/20/16/136302016.db2.gz ZFMXAWJOLKKRJW-LBPRGKRZSA-N 0 1 239.363 2.006 20 0 BEADMN CC(C)C[C@@H](C)Nc1ncnc2[nH]cnc21 ZINC000037265124 343342021 /nfs/dbraw/zinc/34/20/21/343342021.db2.gz IQXZCORHYRWKBN-MRVPVSSYSA-N 0 1 219.292 2.199 20 0 BEADMN Cc1ncc(CN2CC[C@H]2C(C)C)cn1 ZINC000335669649 136312461 /nfs/dbraw/zinc/31/24/61/136312461.db2.gz SEEJGEMVFVMOFF-LBPRGKRZSA-N 0 1 205.305 2.015 20 0 BEADMN CC(C)(C)[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 ZINC000335671745 136313444 /nfs/dbraw/zinc/31/34/44/136313444.db2.gz ZQCZMMFKVZYWIU-JTQLQIEISA-N 0 1 207.321 2.278 20 0 BEADMN Cn1cc(CN2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000335665815 136316726 /nfs/dbraw/zinc/31/67/26/136316726.db2.gz FQLGPRZEOOVUKC-AWEZNQCLSA-N 0 1 246.358 2.137 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC(C)C ZINC000079022208 343394694 /nfs/dbraw/zinc/39/46/94/343394694.db2.gz RTSICIKERUWAKJ-JTQLQIEISA-N 0 1 201.310 2.074 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2c[nH]nc2C)CC1 ZINC000335691006 136324940 /nfs/dbraw/zinc/32/49/40/136324940.db2.gz AHIOCEVPCNUHSX-ZDUSSCGKSA-N 0 1 237.347 2.109 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2ccccc2C)nn1 ZINC000641078566 362189549 /nfs/dbraw/zinc/18/95/49/362189549.db2.gz DSAXYWUNZNEFRI-VXGBXAGGSA-N 0 1 244.342 2.476 20 0 BEADMN CN[C@@H](C)c1cn(CCC2=CCCCC2)nn1 ZINC000641078624 362190453 /nfs/dbraw/zinc/19/04/53/362190453.db2.gz IXIKYQPAZDMRQB-NSHDSACASA-N 0 1 234.347 2.449 20 0 BEADMN Fc1ccc2c(c1)[C@H](NCc1cc[nH]c1)CO2 ZINC000335700006 136328168 /nfs/dbraw/zinc/32/81/68/136328168.db2.gz NCPXTTMETPMNCT-GFCCVEGCSA-N 0 1 232.258 2.377 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000335739877 136351832 /nfs/dbraw/zinc/35/18/32/136351832.db2.gz GJAAZMSPBHXUPH-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1C[C@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335842936 136354757 /nfs/dbraw/zinc/35/47/57/136354757.db2.gz FRSVHNFYJGOAIT-PWSUYJOCSA-N 0 1 247.342 2.162 20 0 BEADMN Cn1cc(CN2CCC[C@@H](C(C)(C)C)C2)nn1 ZINC000335879953 136357005 /nfs/dbraw/zinc/35/70/05/136357005.db2.gz RDTCNMGZQFJSFV-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN Cc1cc(CN[C@@H]2CC[C@@H]2C2CC2)no1 ZINC000379932912 365744043 /nfs/dbraw/zinc/74/40/43/365744043.db2.gz PPDLVZIHEHUSKZ-VXGBXAGGSA-N 0 1 206.289 2.261 20 0 BEADMN C[C@H](c1c(F)cccc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351806165 136370709 /nfs/dbraw/zinc/37/07/09/136370709.db2.gz DPPBTVWOOQQNKG-LNLATYFQSA-N 0 1 241.281 2.338 20 0 BEADMN CSC1CCN(Cc2cc(C)ncn2)CC1 ZINC000602919683 349809464 /nfs/dbraw/zinc/80/94/64/349809464.db2.gz KROBCCNZPPMXDQ-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN O=C([O-])[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000263517473 136374873 /nfs/dbraw/zinc/37/48/73/136374873.db2.gz PHPSZLJVQYDTOH-MRVPVSSYSA-N 0 1 248.307 2.207 20 0 BEADMN CNCc1cn(CC[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000641142249 362237920 /nfs/dbraw/zinc/23/79/20/362237920.db2.gz SXJJPGVWZUGNJW-NEPJUHHUSA-N 0 1 236.363 2.214 20 0 BEADMN CSC1CCN([C@H](C)c2cnccn2)CC1 ZINC000602921775 349810316 /nfs/dbraw/zinc/81/03/16/349810316.db2.gz AFMFVSMYDREYAU-SNVBAGLBSA-N 0 1 237.372 2.365 20 0 BEADMN CC(C)CC(C)(C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627369624 346942608 /nfs/dbraw/zinc/94/26/08/346942608.db2.gz YQXAYNPULHHYIS-UHFFFAOYSA-N 0 1 249.358 2.367 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c(C)c1 ZINC000082717528 343461374 /nfs/dbraw/zinc/46/13/74/343461374.db2.gz QGYHWCJFUFFEPU-LLVKDONJSA-N 0 1 221.300 2.208 20 0 BEADMN CCN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000082784274 343466983 /nfs/dbraw/zinc/46/69/83/343466983.db2.gz RLODECJGINZMSI-SECBINFHSA-N 0 1 201.310 2.058 20 0 BEADMN CCc1nc(CN[C@H]2CCSC2)cs1 ZINC000230705047 343514308 /nfs/dbraw/zinc/51/43/08/343514308.db2.gz UHWGNAQRMPPTRN-QMMMGPOBSA-N 0 1 228.386 2.301 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N(C)CC1CN(C)C1 ZINC000618189421 343515679 /nfs/dbraw/zinc/51/56/79/343515679.db2.gz JCMYXAFAKCBGGG-ZDUSSCGKSA-N 0 1 240.391 2.079 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1CC1(CC(=O)[O-])CC1 ZINC000084054940 343516750 /nfs/dbraw/zinc/51/67/50/343516750.db2.gz PSDUGTIUUIYOLF-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC1CCC(C[N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000084340129 343529347 /nfs/dbraw/zinc/52/93/47/343529347.db2.gz XYESJIPJEOOULB-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)=CCC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000634693714 343540633 /nfs/dbraw/zinc/54/06/33/343540633.db2.gz TZKLCOGYHXWZCZ-DGCLKSJQSA-N 0 1 225.332 2.385 20 0 BEADMN Cc1noc(CN(C)C2CCCCC2)n1 ZINC000042243985 343545220 /nfs/dbraw/zinc/54/52/20/343545220.db2.gz HATCHZILAVLMNJ-UHFFFAOYSA-N 0 1 209.293 2.143 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])CCCc1ccccc1 ZINC000044415602 343500325 /nfs/dbraw/zinc/50/03/25/343500325.db2.gz KUCWLIMUFZFKGD-UHFFFAOYSA-N 0 1 235.327 2.416 20 0 BEADMN CSCCCN1CCC[C@@H]1c1ncccn1 ZINC000602900401 349815867 /nfs/dbraw/zinc/81/58/67/349815867.db2.gz TVNKKTOIMNMOPQ-LLVKDONJSA-N 0 1 237.372 2.367 20 0 BEADMN CCc1nnc(NC(=O)[C@H](C)C(CC)CC)[nH]1 ZINC000479128596 529744027 /nfs/dbraw/zinc/74/40/27/529744027.db2.gz HUBRDPJGYNXSLF-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@H](C)C(CC)CC)n1 ZINC000479128596 529744028 /nfs/dbraw/zinc/74/40/28/529744028.db2.gz HUBRDPJGYNXSLF-MRVPVSSYSA-N 0 1 238.335 2.378 20 0 BEADMN CCN(Cc1ccccc1C)C(=O)c1ccn[nH]1 ZINC000048571764 343583448 /nfs/dbraw/zinc/58/34/48/343583448.db2.gz XGCPWCHPZFJZOG-UHFFFAOYSA-N 0 1 243.310 2.380 20 0 BEADMN CCC(CC)(CC)C(=O)N(C)CC1CN(C)C1 ZINC000618192700 343586289 /nfs/dbraw/zinc/58/62/89/343586289.db2.gz XLIDSJCPWBJPND-UHFFFAOYSA-N 0 1 240.391 2.223 20 0 BEADMN CC[N@@H+](CC(N)=O)[C@H](C)c1cc2ccccc2o1 ZINC000049000698 343591409 /nfs/dbraw/zinc/59/14/09/343591409.db2.gz DOSUHZQFNSTEEM-SNVBAGLBSA-N 0 1 246.310 2.301 20 0 BEADMN CCN(CC(N)=O)[C@H](C)c1cc2ccccc2o1 ZINC000049000698 343591413 /nfs/dbraw/zinc/59/14/13/343591413.db2.gz DOSUHZQFNSTEEM-SNVBAGLBSA-N 0 1 246.310 2.301 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC000049429836 343598362 /nfs/dbraw/zinc/59/83/62/343598362.db2.gz CEKLQMOQGHDIQA-UHFFFAOYSA-N 0 1 223.320 2.261 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)c1ccccc1Cl ZINC000622745672 343605608 /nfs/dbraw/zinc/60/56/08/343605608.db2.gz SELOOUJLNNRQFL-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN Cc1ncsc1CN1CCCOC[C@@H]1C ZINC000678272640 488224943 /nfs/dbraw/zinc/22/49/43/488224943.db2.gz FUICKDWXEVWSES-VIFPVBQESA-N 0 1 226.345 2.062 20 0 BEADMN c1n[nH]cc1CNCc1coc2ccccc12 ZINC000083601942 343641306 /nfs/dbraw/zinc/64/13/06/343641306.db2.gz UASKVPMTYVNSFS-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN CCC1(CC)CCN([C@@H](C)C(=O)OC)C1 ZINC000087256727 343642464 /nfs/dbraw/zinc/64/24/64/343642464.db2.gz UFDSAQDANPAKLW-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cncc([C@@H](C)NCc2ccc[nH]c2=O)c1 ZINC000624259465 343627516 /nfs/dbraw/zinc/62/75/16/343627516.db2.gz MMOAIHRMRZJBHU-LLVKDONJSA-N 0 1 243.310 2.341 20 0 BEADMN Cc1nccc(N[C@@H]2C[C@@H](C)O[C@H]2C)c1Cl ZINC000384561660 343629187 /nfs/dbraw/zinc/62/91/87/343629187.db2.gz HVTAXJOMQXIODI-POZPLHJXSA-N 0 1 240.734 2.443 20 0 BEADMN CC[C@H](C)C[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC000634696652 343633756 /nfs/dbraw/zinc/63/37/56/343633756.db2.gz HDWXUKHZWBQIIX-BMQDGWLCSA-N 0 1 211.305 2.114 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccc(CC)o1 ZINC000379949524 343659449 /nfs/dbraw/zinc/65/94/49/343659449.db2.gz SJHUOAVGAJNWSF-VXGBXAGGSA-N 0 1 209.289 2.109 20 0 BEADMN CC(C)SCC[N@@H+](CCC(=O)[O-])C(C)C ZINC000379997015 343666290 /nfs/dbraw/zinc/66/62/90/343666290.db2.gz IQUCTIBOCLPNAF-UHFFFAOYSA-N 0 1 233.377 2.313 20 0 BEADMN COC(=O)C12CCC(CC1)N2[C@@H]1C=CCCC1 ZINC000602984933 349837106 /nfs/dbraw/zinc/83/71/06/349837106.db2.gz FFYJQYGQLFYTAW-LKSINWNRSA-N 0 1 235.327 2.265 20 0 BEADMN CCc1cnc(CNC[C@H](OC)C2CC2)s1 ZINC000339530699 343701048 /nfs/dbraw/zinc/70/10/48/343701048.db2.gz SAZOUAOOOAYLPU-NSHDSACASA-N 0 1 240.372 2.220 20 0 BEADMN CC(C)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045600 343704245 /nfs/dbraw/zinc/70/42/45/343704245.db2.gz XPFCZVTVVIDRDO-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC[N@@H+](CCOC)Cc1cccc(C)c1 ZINC000048044576 343704350 /nfs/dbraw/zinc/70/43/50/343704350.db2.gz UTGIGFMVMKGAEJ-UHFFFAOYSA-N 0 1 207.317 2.463 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000570338139 323056935 /nfs/dbraw/zinc/05/69/35/323056935.db2.gz MTDANDVZZHZWJA-QMMMGPOBSA-N 0 1 225.313 2.431 20 0 BEADMN COc1cncc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000625431977 343733352 /nfs/dbraw/zinc/73/33/52/343733352.db2.gz LKCQQPSTXZSNFY-GFCCVEGCSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1cc(CN[C@H](C)c2nccs2)n[nH]1 ZINC000380265199 343711897 /nfs/dbraw/zinc/71/18/97/343711897.db2.gz TUDCUWNJFKSGNU-MRVPVSSYSA-N 0 1 222.317 2.025 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1 ZINC000628290488 346960791 /nfs/dbraw/zinc/96/07/91/346960791.db2.gz GTCXNBNOPOXVAJ-KOLCDFICSA-N 0 1 241.285 2.195 20 0 BEADMN CSC1(CNCc2ncccc2F)CC1 ZINC000309074201 346962117 /nfs/dbraw/zinc/96/21/17/346962117.db2.gz ILEKKUMEOJYBBB-UHFFFAOYSA-N 0 1 226.320 2.206 20 0 BEADMN CC[C@@]1(C)CC[N@H+](Cc2ncccc2[O-])C1 ZINC000584165107 343767706 /nfs/dbraw/zinc/76/77/06/343767706.db2.gz QHRXCZMBGDHLHA-ZDUSSCGKSA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000584165107 343767708 /nfs/dbraw/zinc/76/77/08/343767708.db2.gz QHRXCZMBGDHLHA-ZDUSSCGKSA-N 0 1 220.316 2.409 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000336448805 537811638 /nfs/dbraw/zinc/81/16/38/537811638.db2.gz VQOXACVSACJTJT-XCBNKYQSSA-N 0 1 247.273 2.230 20 0 BEADMN C[C@H](NCCOCc1ccccc1)c1ncc[nH]1 ZINC000286139015 537809073 /nfs/dbraw/zinc/80/90/73/537809073.db2.gz OWJBOFLMRWLIMV-LBPRGKRZSA-N 0 1 245.326 2.277 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCCN1C)C1CCCCC1 ZINC000128058285 343757134 /nfs/dbraw/zinc/75/71/34/343757134.db2.gz JVXZYXMLEAVDHT-DGCLKSJQSA-N 0 1 238.375 2.166 20 0 BEADMN CCCC[N@@H+](CC(=O)[O-])Cc1ccccc1 ZINC000058846960 343790019 /nfs/dbraw/zinc/79/00/19/343790019.db2.gz HKIUIZBMDJIKGK-UHFFFAOYSA-N 0 1 221.300 2.373 20 0 BEADMN C[C@@H]1CC2(CCC2)CN1C(=O)CCc1cnc[nH]1 ZINC000336441269 537812043 /nfs/dbraw/zinc/81/20/43/537812043.db2.gz OZAOCIDTUBIWJM-LLVKDONJSA-N 0 1 247.342 2.133 20 0 BEADMN Cc1cc(CNC2CC3(CCC3)C2)no1 ZINC000380170146 346984665 /nfs/dbraw/zinc/98/46/65/346984665.db2.gz GWVUZKXPICHGLK-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN CC(C)(C)CCCNC(=O)c1coc(CN)c1 ZINC000187865039 343809825 /nfs/dbraw/zinc/80/98/25/343809825.db2.gz QVPIEDNEUZOTTP-UHFFFAOYSA-N 0 1 238.331 2.294 20 0 BEADMN CC(C)C[N@@H+](CC(=O)NCC1CCC1)C1CC1 ZINC000066492537 349877268 /nfs/dbraw/zinc/87/72/68/349877268.db2.gz CHDGIOXRXKWRKI-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)OC[C@@H](C)NCc1ncccc1F ZINC000381043403 343882830 /nfs/dbraw/zinc/88/28/30/343882830.db2.gz CTLCDTHWKKRVDB-SNVBAGLBSA-N 0 1 226.295 2.124 20 0 BEADMN CC(C)OC[C@H](C)NCc1ncccc1F ZINC000381043400 343882993 /nfs/dbraw/zinc/88/29/93/343882993.db2.gz CTLCDTHWKKRVDB-JTQLQIEISA-N 0 1 226.295 2.124 20 0 BEADMN CCC[C@H](C)CCCN1CCO[C@H]([C@H](C)O)C1 ZINC000625471345 343874791 /nfs/dbraw/zinc/87/47/91/343874791.db2.gz JOTQPNGSHGBTDO-IHRRRGAJSA-N 0 1 243.391 2.284 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1ncc[nH]1 ZINC000336729813 537833948 /nfs/dbraw/zinc/83/39/48/537833948.db2.gz DFXGQLFXYYYYBU-SNVBAGLBSA-N 0 1 223.320 2.020 20 0 BEADMN CC(C)CC1(NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000620286963 343889634 /nfs/dbraw/zinc/88/96/34/343889634.db2.gz VZSDAFIQVFFRCN-LLVKDONJSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@H](CC(F)F)Cn1cc([C@H](C)NC)nn1 ZINC000641182889 362259588 /nfs/dbraw/zinc/25/95/88/362259588.db2.gz UXNIRNDRDSKUJP-DTWKUNHWSA-N 0 1 246.305 2.240 20 0 BEADMN C[C@H]1CN(Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000628117422 343966283 /nfs/dbraw/zinc/96/62/83/343966283.db2.gz IHGSEXQJGPOERZ-QWRGUYRKSA-N 0 1 245.326 2.172 20 0 BEADMN CC[C@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628118662 343968755 /nfs/dbraw/zinc/96/87/55/343968755.db2.gz CIZMHQUWCVOUIO-NSHDSACASA-N 0 1 207.321 2.483 20 0 BEADMN CCc1nc(C)c(CN(C)CC2(C)COC2)o1 ZINC000625792344 344075851 /nfs/dbraw/zinc/07/58/51/344075851.db2.gz VQHMOIZIMONKEX-UHFFFAOYSA-N 0 1 238.331 2.014 20 0 BEADMN CC1(C)CCC(C)(C)[N@@H+](CCC(=O)[O-])C1 ZINC000625722796 344056122 /nfs/dbraw/zinc/05/61/22/344056122.db2.gz DTLCABBYWPAHJZ-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCCOC1)C2 ZINC000625727004 344058286 /nfs/dbraw/zinc/05/82/86/344058286.db2.gz OGDHAZBYSLFSGZ-LLVKDONJSA-N 0 1 233.311 2.134 20 0 BEADMN O[C@H](CN1CCCC(F)(F)CC1)C(F)(F)F ZINC000625770240 344066370 /nfs/dbraw/zinc/06/63/70/344066370.db2.gz ISMZEKUKVGBFRI-SSDOTTSWSA-N 0 1 247.207 2.031 20 0 BEADMN Cn1ccnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247357250 344105153 /nfs/dbraw/zinc/10/51/53/344105153.db2.gz HBKXIGIEVNQWSM-NWDGAFQWSA-N 0 1 219.332 2.185 20 0 BEADMN CC(C)n1ncnc1CNC1CC(C)(C)C1 ZINC000395204488 362350074 /nfs/dbraw/zinc/35/00/74/362350074.db2.gz IJHXWODCXLJMHC-UHFFFAOYSA-N 0 1 222.336 2.137 20 0 BEADMN Cc1noc(C)c1CN(C1CC1)C1CC1 ZINC000625836606 344089297 /nfs/dbraw/zinc/08/92/97/344089297.db2.gz CVCYLBYUZYQZPP-UHFFFAOYSA-N 0 1 206.289 2.418 20 0 BEADMN C[C@@H]1CCCCN1C(=O)CN(C1CC1)C1CC1 ZINC000625838130 344090470 /nfs/dbraw/zinc/09/04/70/344090470.db2.gz XDPNRKYOIXFRDI-LLVKDONJSA-N 0 1 236.359 2.014 20 0 BEADMN CC(C)CC[C@@H](O)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000625853671 344124872 /nfs/dbraw/zinc/12/48/72/344124872.db2.gz YQNRAZYPRDHYFY-HZSPNIEDSA-N 0 1 241.375 2.037 20 0 BEADMN CCN(Cc1ncc(C)s1)CC(C)(C)O ZINC000180495416 347030705 /nfs/dbraw/zinc/03/07/05/347030705.db2.gz KYSVBCFGCNAOGZ-UHFFFAOYSA-N 0 1 228.361 2.044 20 0 BEADMN C/C=C\CNCc1cc(OC)cc(C)n1 ZINC000384892114 344216249 /nfs/dbraw/zinc/21/62/49/344216249.db2.gz UFYNLOCZDRLUBK-PLNGDYQASA-N 0 1 206.289 2.064 20 0 BEADMN CCOC(=O)C1(C)CC(NCc2ccco2)C1 ZINC000601260726 347040884 /nfs/dbraw/zinc/04/08/84/347040884.db2.gz FDJGJVWLAZLTFB-UHFFFAOYSA-N 0 1 237.299 2.101 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)C2CC2)[nH]c1C ZINC000628137688 344261434 /nfs/dbraw/zinc/26/14/34/344261434.db2.gz NZPVTQCGCYJFID-JTQLQIEISA-N 0 1 207.321 2.257 20 0 BEADMN CC(C)C[N@@H+](Cc1ccnn1C)C1CC1 ZINC000092009142 344287762 /nfs/dbraw/zinc/28/77/62/344287762.db2.gz KIRZSRWVNKDBNK-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN Cc1ccc(O)c(C[N@@H+](C)CCC2CC2)n1 ZINC000092067082 344288038 /nfs/dbraw/zinc/28/80/38/344288038.db2.gz DYGCGEBPUDFDAY-UHFFFAOYSA-N 0 1 220.316 2.328 20 0 BEADMN CCc1nc(CS[C@H]2COC(C)(C)C2)n[nH]1 ZINC000600575223 344289893 /nfs/dbraw/zinc/28/98/93/344289893.db2.gz ZVJQFSCGGVEWOE-MRVPVSSYSA-N 0 1 241.360 2.168 20 0 BEADMN c1[nH]nnc1CCSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600576526 344291593 /nfs/dbraw/zinc/29/15/93/344291593.db2.gz GVOPGYIFKBNAAD-ILWJIGKKSA-N 0 1 223.345 2.127 20 0 BEADMN CC1(C)CCC[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000094267215 344327533 /nfs/dbraw/zinc/32/75/33/344327533.db2.gz VSBHTDZSVYTPDW-QMMMGPOBSA-N 0 1 231.303 2.344 20 0 BEADMN CC1(C)CC(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000395470282 344330359 /nfs/dbraw/zinc/33/03/59/344330359.db2.gz NHKHGDYNAVRPAS-UHFFFAOYSA-N 0 1 243.310 2.481 20 0 BEADMN Cn1ccnc1CN1CC[C@H](c2ccco2)C1 ZINC000600691647 344359021 /nfs/dbraw/zinc/35/90/21/344359021.db2.gz OFCSYLSGPDXHLV-NSHDSACASA-N 0 1 231.299 2.003 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000600950028 344401214 /nfs/dbraw/zinc/40/12/14/344401214.db2.gz HBCJCJHNMNSQSO-OLZOCXBDSA-N 0 1 238.375 2.119 20 0 BEADMN CC1(C)CCC[C@@H](CNCC(F)(F)CN)C1 ZINC000584279335 344405373 /nfs/dbraw/zinc/40/53/73/344405373.db2.gz SUBPYVLZDHKSAB-SNVBAGLBSA-N 0 1 234.334 2.386 20 0 BEADMN CO[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000041012839 344411886 /nfs/dbraw/zinc/41/18/86/344411886.db2.gz IGUHGNPXQQYSAS-NXEZZACHSA-N 0 1 226.345 2.190 20 0 BEADMN c1n[nH]cc1CNC1(c2ccccc2)CC1 ZINC000381354279 344497014 /nfs/dbraw/zinc/49/70/14/344497014.db2.gz CJQMCQHAJZMBMY-UHFFFAOYSA-N 0 1 213.284 2.189 20 0 BEADMN CC1(CNCc2noc3c2CCCC3)CC1 ZINC000381343560 344497315 /nfs/dbraw/zinc/49/73/15/344497315.db2.gz YFDPBGHTLDSQPQ-UHFFFAOYSA-N 0 1 220.316 2.443 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)[C@@H]1C ZINC000381278089 344514322 /nfs/dbraw/zinc/51/43/22/344514322.db2.gz XLJOTWUMRDDMBU-SOCHQFKDSA-N 0 1 216.288 2.414 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)[C@@H]1C ZINC000381278089 344514324 /nfs/dbraw/zinc/51/43/24/344514324.db2.gz XLJOTWUMRDDMBU-SOCHQFKDSA-N 0 1 216.288 2.414 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381557106 344521239 /nfs/dbraw/zinc/52/12/39/344521239.db2.gz VTECWOYCWRABDH-VHSXEESVSA-N 0 1 247.285 2.361 20 0 BEADMN CCCCCN(C)[C@@H](C)C(=O)OCC ZINC000043638562 344529100 /nfs/dbraw/zinc/52/91/00/344529100.db2.gz QBHCZLIFGAWEGI-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1nc(CN2CCC[C@](C)(O)CC2)oc1C ZINC000230379726 344559977 /nfs/dbraw/zinc/55/99/77/344559977.db2.gz UOYMRTGFWCXNPK-ZDUSSCGKSA-N 0 1 238.331 2.028 20 0 BEADMN CCOC[C@H]1CN(CCCC2CCC2)CCO1 ZINC000625953702 344594306 /nfs/dbraw/zinc/59/43/06/344594306.db2.gz NHYMQXOTFORHSG-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN CCN1C[C@@H](C)N(c2ccncc2F)C[C@@H]1C ZINC000641471062 362439146 /nfs/dbraw/zinc/43/91/46/362439146.db2.gz USXUOMPQHPLUPR-WDEREUQCSA-N 0 1 237.322 2.140 20 0 BEADMN CCCCOCCNCc1nc(C)cs1 ZINC000049262162 344601250 /nfs/dbraw/zinc/60/12/50/344601250.db2.gz MBDFMKOJMBQQFY-UHFFFAOYSA-N 0 1 228.361 2.358 20 0 BEADMN C[C@H]1CC[C@@H](CN2CCc3c(O)cccc3C2)O1 ZINC000626028205 344680607 /nfs/dbraw/zinc/68/06/07/344680607.db2.gz BFXIICVXFCACKK-AAEUAGOBSA-N 0 1 247.338 2.318 20 0 BEADMN CC1(C)C[N@H+]([C@@H]2CCOC2)Cc2ccccc2O1 ZINC000288769797 344658444 /nfs/dbraw/zinc/65/84/44/344658444.db2.gz IFLNRUBXKLTHFU-CYBMUJFWSA-N 0 1 247.338 2.449 20 0 BEADMN CCc1nnc([C@@H](C)N2C[C@H]3CCC[C@@H]3C2)o1 ZINC000152699133 344659150 /nfs/dbraw/zinc/65/91/50/344659150.db2.gz JCRHJSFDNDOEKI-GMTAPVOTSA-N 0 1 235.331 2.425 20 0 BEADMN FCCCCCN1CCO[C@@H](CCF)C1 ZINC000626005996 344664509 /nfs/dbraw/zinc/66/45/09/344664509.db2.gz OQVDVCUDKVTVLG-NSHDSACASA-N 0 1 221.291 2.187 20 0 BEADMN Oc1cccc2c1CCN(C[C@@H]1CCCCO1)C2 ZINC000626025377 344676338 /nfs/dbraw/zinc/67/63/38/344676338.db2.gz VTSLOKOYSGWISB-ZDUSSCGKSA-N 0 1 247.338 2.319 20 0 BEADMN C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000625970775 344629881 /nfs/dbraw/zinc/62/98/81/344629881.db2.gz ZUVVHUZHHRMPGG-GRYCIOLGSA-N 0 1 239.359 2.465 20 0 BEADMN Cn1cnc(CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626103945 344747597 /nfs/dbraw/zinc/74/75/97/344747597.db2.gz XUCWGHQAPQPPTB-AAEUAGOBSA-N 0 1 219.332 2.185 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@H]1CCCCN1C ZINC000684161821 488270503 /nfs/dbraw/zinc/27/05/03/488270503.db2.gz JBEKZZLGOKQCJN-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000309457176 347066985 /nfs/dbraw/zinc/06/69/85/347066985.db2.gz MUZOEMNSYCHEJG-KPXOXKRLSA-N 0 1 224.279 2.049 20 0 BEADMN CCCCCN1CCC[C@@H]1C(=O)OCC ZINC000050064052 344717463 /nfs/dbraw/zinc/71/74/63/344717463.db2.gz ZURZFDXEXNWETL-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN CCOC(=O)CN(CC1CCCC1)C1CC1 ZINC000050063794 344717476 /nfs/dbraw/zinc/71/74/76/344717476.db2.gz ORFXWEJKTOKRSY-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)N1CCN(c2nc3ccccc3o2)CC1 ZINC000075606247 344780201 /nfs/dbraw/zinc/78/02/01/344780201.db2.gz SXZOESFKFRHQSM-UHFFFAOYSA-N 0 1 245.326 2.358 20 0 BEADMN CCN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000075432074 344771098 /nfs/dbraw/zinc/77/10/98/344771098.db2.gz PBNARGNJXTZBPL-UHFFFAOYSA-N 0 1 229.283 2.169 20 0 BEADMN CCc1nc(CN(CC)c2ccccc2)n[nH]1 ZINC000181750828 347071585 /nfs/dbraw/zinc/07/15/85/347071585.db2.gz QNFFZDYOTIEVLQ-UHFFFAOYSA-N 0 1 230.315 2.394 20 0 BEADMN CCC[C@H](OC)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000448811718 201761551 /nfs/dbraw/zinc/76/15/51/201761551.db2.gz RUJTVHYDWHQHDO-LBPRGKRZSA-N 0 1 247.298 2.317 20 0 BEADMN CN(CC(=O)NC1CCCCCC1)C1CCC1 ZINC000075841922 344792636 /nfs/dbraw/zinc/79/26/36/344792636.db2.gz ZWFTTYYKGTWPNO-UHFFFAOYSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1C ZINC000076110721 344794958 /nfs/dbraw/zinc/79/49/58/344794958.db2.gz GFLIUKYADZZNJE-DTORHVGOSA-N 0 1 221.304 2.035 20 0 BEADMN CCc1cnc(CN2C[C@H](C)[C@@H](C)C2)o1 ZINC000076112821 344796374 /nfs/dbraw/zinc/79/63/74/344796374.db2.gz NBBWYLLGOHCWLD-UWVGGRQHSA-N 0 1 208.305 2.325 20 0 BEADMN CCc1nnc([C@H](C)N2CCC[C@@H]2C)o1 ZINC000076117432 344796833 /nfs/dbraw/zinc/79/68/33/344796833.db2.gz LRAUCTKFCYLRTF-IUCAKERBSA-N 0 1 209.293 2.177 20 0 BEADMN CCOCCCN1CCOC[C@H]1c1ccccc1 ZINC000076119194 344797542 /nfs/dbraw/zinc/79/75/42/344797542.db2.gz YHZGKFVVEPDTMH-HNNXBMFYSA-N 0 1 249.354 2.487 20 0 BEADMN CCc1cnc(CN[C@]2(C)CCCOC2)s1 ZINC000309496650 347077449 /nfs/dbraw/zinc/07/74/49/347077449.db2.gz YPNYNWIHZPXJPU-GFCCVEGCSA-N 0 1 240.372 2.364 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC1CCCCC1 ZINC000076816718 344806739 /nfs/dbraw/zinc/80/67/39/344806739.db2.gz RZNLBOHDNGWEAI-BFQNTYOBSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@H]1CN(C2CC2)CCN1C(=O)C[C@H]1C=CCC1 ZINC001638815958 1172047841 /nfs/dbraw/zinc/04/78/41/1172047841.db2.gz JDMJZHRDEGTGEW-STQMWFEESA-N 0 1 248.370 2.038 20 0 BEADMN C[C@@H](c1cccnc1)N1CCSCC1 ZINC000076693025 344808617 /nfs/dbraw/zinc/80/86/17/344808617.db2.gz QLZKAUAFSFMXKW-JTQLQIEISA-N 0 1 208.330 2.191 20 0 BEADMN CO[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000077279157 344814944 /nfs/dbraw/zinc/81/49/44/344814944.db2.gz RXVNUOHSBDDAHJ-MRVPVSSYSA-N 0 1 211.227 2.050 20 0 BEADMN CCCCOCCSc1nnc(CC)[nH]1 ZINC000077432510 344824325 /nfs/dbraw/zinc/82/43/25/344824325.db2.gz RXGZPUUARGIMRA-UHFFFAOYSA-N 0 1 229.349 2.276 20 0 BEADMN CCCCOCCSc1nc(CC)n[nH]1 ZINC000077432510 344824328 /nfs/dbraw/zinc/82/43/28/344824328.db2.gz RXGZPUUARGIMRA-UHFFFAOYSA-N 0 1 229.349 2.276 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000033639666 344888641 /nfs/dbraw/zinc/88/86/41/344888641.db2.gz NRSFRRQERRVBJX-UHFFFAOYSA-N 0 1 246.354 2.456 20 0 BEADMN CC/C=C\CNCc1ccc(C(=O)OC)o1 ZINC000385099306 344889945 /nfs/dbraw/zinc/88/99/45/344889945.db2.gz ZJFZISJDODXNAS-PLNGDYQASA-N 0 1 223.272 2.122 20 0 BEADMN C[C@@]1(CN2CCc3c[nH]nc3C2)CCCS1 ZINC000628182427 344926028 /nfs/dbraw/zinc/92/60/28/344926028.db2.gz TWMZBJYILZJKNZ-LBPRGKRZSA-N 0 1 237.372 2.054 20 0 BEADMN Cc1nc(CN2C[C@@H]3[C@H](C2)C3(C)C)[nH]c1C ZINC000628183543 344931729 /nfs/dbraw/zinc/93/17/29/344931729.db2.gz GFNUVLQHQRTTFN-PHIMTYICSA-N 0 1 219.332 2.114 20 0 BEADMN CCN1CCN(c2ccccc2F)C[C@H]1C ZINC000249108182 537873782 /nfs/dbraw/zinc/87/37/82/537873782.db2.gz QTRVQFUXKURGLZ-LLVKDONJSA-N 0 1 222.307 2.356 20 0 BEADMN Cc1ccc(CN(C)CCOCC2CC2)cn1 ZINC000153989914 345005100 /nfs/dbraw/zinc/00/51/00/345005100.db2.gz RGRJBJDQISODPB-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cn1 ZINC000154671461 345046603 /nfs/dbraw/zinc/04/66/03/345046603.db2.gz SYHGBFTVBRPRIR-CABCVRRESA-N 0 1 248.370 2.373 20 0 BEADMN C[C@H]1CCCN1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000154520072 345040228 /nfs/dbraw/zinc/04/02/28/345040228.db2.gz PLJQUYMMQCIBJS-AVGNSLFASA-N 0 1 238.375 2.166 20 0 BEADMN CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000155131663 345068856 /nfs/dbraw/zinc/06/88/56/345068856.db2.gz OIACTICHJFWYDA-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN CC(C)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050924613 345094631 /nfs/dbraw/zinc/09/46/31/345094631.db2.gz MIRIZCKSHAUXDP-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN COc1ccc(C)cc1CCNCc1ccon1 ZINC000634951519 345127414 /nfs/dbraw/zinc/12/74/14/345127414.db2.gz YWHCEQVAFZXQFO-UHFFFAOYSA-N 0 1 246.310 2.324 20 0 BEADMN c1cc(CNCCCOC2CCCC2)no1 ZINC000634957734 345131483 /nfs/dbraw/zinc/13/14/83/345131483.db2.gz WJYHCTVZCGVAEA-UHFFFAOYSA-N 0 1 224.304 2.114 20 0 BEADMN COc1cccc(C[C@H](C)NCc2ccon2)c1 ZINC000634961229 345135715 /nfs/dbraw/zinc/13/57/15/345135715.db2.gz OMIVJFNCLFBPDJ-NSHDSACASA-N 0 1 246.310 2.404 20 0 BEADMN CCO[C@@H](CCNCc1ccon1)C(C)C ZINC000634966596 345139584 /nfs/dbraw/zinc/13/95/84/345139584.db2.gz SACVFSNNAUPPAR-LBPRGKRZSA-N 0 1 226.320 2.215 20 0 BEADMN CCOc1cccc(CCNCc2ccon2)c1 ZINC000634970814 345145608 /nfs/dbraw/zinc/14/56/08/345145608.db2.gz CJZITJVCDFTDJT-UHFFFAOYSA-N 0 1 246.310 2.406 20 0 BEADMN Cc1csc([C@H](C)CNCc2ccon2)n1 ZINC000634975913 345151020 /nfs/dbraw/zinc/15/10/20/345151020.db2.gz JUUMRZNHUCIPPQ-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN CO[C@@H](C)CNCc1nc2cc(F)ccc2o1 ZINC000634978005 345154377 /nfs/dbraw/zinc/15/43/77/345154377.db2.gz QGXFABNJDPMKBO-QMMMGPOBSA-N 0 1 238.262 2.091 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635058370 345232291 /nfs/dbraw/zinc/23/22/91/345232291.db2.gz LAFMLUZIJRCLQR-IJLUTSLNSA-N 0 1 247.342 2.304 20 0 BEADMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000635114015 345249363 /nfs/dbraw/zinc/24/93/63/345249363.db2.gz XUORARZDLVXFCQ-VXGBXAGGSA-N 0 1 234.343 2.122 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000635016319 345221169 /nfs/dbraw/zinc/22/11/69/345221169.db2.gz LXJGWUOJUXWYBY-OLZOCXBDSA-N 0 1 249.285 2.436 20 0 BEADMN CC(C)CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635187988 345267098 /nfs/dbraw/zinc/26/70/98/345267098.db2.gz GDNXSWQVUWLZHY-QJPTWQEYSA-N 0 1 249.358 2.454 20 0 BEADMN C[C@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C ZINC000635197648 345270341 /nfs/dbraw/zinc/27/03/41/345270341.db2.gz AOLYHKSAJPFCMV-SECBINFHSA-N 0 1 231.299 2.057 20 0 BEADMN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N(C)C ZINC000635203657 345270867 /nfs/dbraw/zinc/27/08/67/345270867.db2.gz RQHVMLOAAUGULC-CYBMUJFWSA-N 0 1 248.370 2.374 20 0 BEADMN CC(C)=C(C)CC(=O)NCc1cn[nH]c1C ZINC000635224382 345278115 /nfs/dbraw/zinc/27/81/15/345278115.db2.gz RJAUMPJEAPDIMF-UHFFFAOYSA-N 0 1 221.304 2.081 20 0 BEADMN CCc1nc(CSC2=N[C@@H](C)CS2)n[nH]1 ZINC000131239721 345295544 /nfs/dbraw/zinc/29/55/44/345295544.db2.gz RLKOSYIOSIGJAS-LURJTMIESA-N 0 1 242.373 2.092 20 0 BEADMN C[C@H](C(=O)Nc1ccc2ncsc2c1)N(C)C ZINC000635305077 345300775 /nfs/dbraw/zinc/30/07/75/345300775.db2.gz VOZXSXBURSVOEH-MRVPVSSYSA-N 0 1 249.339 2.185 20 0 BEADMN CC(C)(C)NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113410 345303157 /nfs/dbraw/zinc/30/31/57/345303157.db2.gz RECUDJHJZGSILA-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@H]2C2CC2)n1 ZINC000381319798 345309872 /nfs/dbraw/zinc/30/98/72/345309872.db2.gz OIRDMGXPERBWCS-WHGOUJPWSA-N 0 1 221.304 2.217 20 0 BEADMN Cc1nc[nH]c1C(=O)N1C[C@@H](C)c2ccccc21 ZINC000635330543 345310336 /nfs/dbraw/zinc/31/03/36/345310336.db2.gz MXIXMYIXHIXYSP-SECBINFHSA-N 0 1 241.294 2.482 20 0 BEADMN Cc1nc[nH]c1C(=O)N1C[C@H](C)c2ccccc21 ZINC000635330544 345310408 /nfs/dbraw/zinc/31/04/08/345310408.db2.gz MXIXMYIXHIXYSP-VIFPVBQESA-N 0 1 241.294 2.482 20 0 BEADMN C[C@H](C(=O)Nc1ccc2ncccc2c1)N(C)C ZINC000635334332 345311897 /nfs/dbraw/zinc/31/18/97/345311897.db2.gz WFNVDALKBAULMJ-SNVBAGLBSA-N 0 1 243.310 2.123 20 0 BEADMN C[C@H](CNC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000132769314 345343873 /nfs/dbraw/zinc/34/38/73/345343873.db2.gz JDMXDVAHIBKLJY-SECBINFHSA-N 0 1 243.310 2.339 20 0 BEADMN CCc1nc(CN2CCC[C@](C)(CC)C2)n[nH]1 ZINC000158741298 345372465 /nfs/dbraw/zinc/37/24/65/345372465.db2.gz AKCAWZDIXPOGRX-ZDUSSCGKSA-N 0 1 236.363 2.379 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@@H]1CCCCN1C ZINC000635444353 345374475 /nfs/dbraw/zinc/37/44/75/345374475.db2.gz PZDCKNVIBHKHLO-NEPJUHHUSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H](C(=O)N1CCC[C@@H]1CC(C)(C)C)N(C)C ZINC000635453278 345379196 /nfs/dbraw/zinc/37/91/96/345379196.db2.gz ONXSYIAZKWNSBK-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1nnc([C@@H](C)N2CCCC3(CC3)CC2)[nH]1 ZINC000626115129 345328226 /nfs/dbraw/zinc/32/82/26/345328226.db2.gz GTZXFVGDODRBFK-SNVBAGLBSA-N 0 1 234.347 2.440 20 0 BEADMN c1cnc(CN2CCCC3(CC3)CC2)nc1 ZINC000626115474 345333528 /nfs/dbraw/zinc/33/35/28/345333528.db2.gz VDCFDULLXHVGPY-UHFFFAOYSA-N 0 1 217.316 2.243 20 0 BEADMN CCc1cnc(CN2CC[C@H](C)[C@@H]2C)o1 ZINC000531449519 323090004 /nfs/dbraw/zinc/09/00/04/323090004.db2.gz QGYZVZTZKYFOAA-UWVGGRQHSA-N 0 1 208.305 2.467 20 0 BEADMN CCc1nnc(NC(=O)C[C@H]2CC[C@@H](C)C2)[nH]1 ZINC000182285104 323090187 /nfs/dbraw/zinc/09/01/87/323090187.db2.gz YPNICEFWGANNSR-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)C[C@H]2CC[C@@H](C)C2)n1 ZINC000182285104 323090188 /nfs/dbraw/zinc/09/01/88/323090188.db2.gz YPNICEFWGANNSR-BDAKNGLRSA-N 0 1 236.319 2.132 20 0 BEADMN FC(F)(F)COCCN1CCC12CCC2 ZINC000081515603 345482706 /nfs/dbraw/zinc/48/27/06/345482706.db2.gz GUGXJRNWRMBXFA-UHFFFAOYSA-N 0 1 223.238 2.194 20 0 BEADMN CCCCN(C(=O)[C@@H](C)N(C)C)[C@H](C)CC ZINC000635540822 345524958 /nfs/dbraw/zinc/52/49/58/345524958.db2.gz PJIRXTXGIMINEI-VXGBXAGGSA-N 0 1 228.380 2.364 20 0 BEADMN Cc1csc(CN2CCCC[C@H]2[C@@H](C)O)n1 ZINC000088598565 345542690 /nfs/dbraw/zinc/54/26/90/345542690.db2.gz KFVNXMROBQGJLW-MNOVXSKESA-N 0 1 240.372 2.187 20 0 BEADMN COC[C@H]1CCN(Cc2nc(C)c(C)s2)C1 ZINC000088601260 345542708 /nfs/dbraw/zinc/54/27/08/345542708.db2.gz BMHYLZAJCHCFLG-NSHDSACASA-N 0 1 240.372 2.228 20 0 BEADMN Cc1cc(N[C@@H](C)CO)c2cc(F)ccc2n1 ZINC000091013385 345579882 /nfs/dbraw/zinc/57/98/82/345579882.db2.gz CXDNKLHSFYDJMP-VIFPVBQESA-N 0 1 234.274 2.475 20 0 BEADMN OCCCN1CCc2ccc(Cl)cc2C1 ZINC000090615439 345573762 /nfs/dbraw/zinc/57/37/62/345573762.db2.gz TYZZKSARXMSMGS-UHFFFAOYSA-N 0 1 225.719 2.081 20 0 BEADMN CNCc1nc(-c2oc(C)nc2C)cs1 ZINC000084422243 345512941 /nfs/dbraw/zinc/51/29/41/345512941.db2.gz RYJOOHAIOAUEHN-UHFFFAOYSA-N 0 1 223.301 2.134 20 0 BEADMN CCCC[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585354 488290125 /nfs/dbraw/zinc/29/01/25/488290125.db2.gz WAKPMYDUEREVIT-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN COC(=O)[C@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000091985033 345613521 /nfs/dbraw/zinc/61/35/21/345613521.db2.gz MHMGYCFCLFPOEL-MRVPVSSYSA-N 0 1 245.706 2.174 20 0 BEADMN Cn1cccc1CN1CCOCC12CCCC2 ZINC000093840764 345665194 /nfs/dbraw/zinc/66/51/94/345665194.db2.gz FIDOHGUHVTXVNZ-UHFFFAOYSA-N 0 1 234.343 2.170 20 0 BEADMN CO[C@@H]1C[C@H](NCc2ncc(C)s2)C1(C)C ZINC000394720626 323093193 /nfs/dbraw/zinc/09/31/93/323093193.db2.gz JRRZODAMXAWSKU-VHSXEESVSA-N 0 1 240.372 2.355 20 0 BEADMN Cc1cc(C)n2c(CN3CCC3(C)C)cnc2n1 ZINC000093460331 345671856 /nfs/dbraw/zinc/67/18/56/345671856.db2.gz PIDYUWVAHZQNRU-UHFFFAOYSA-N 0 1 244.342 2.330 20 0 BEADMN CC[C@@H](NCc1ccncc1N)c1ccncc1 ZINC000641728554 362648663 /nfs/dbraw/zinc/64/86/63/362648663.db2.gz CTQLNSCWPRELFY-CQSZACIVSA-N 0 1 242.326 2.300 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167791715 347086937 /nfs/dbraw/zinc/08/69/37/347086937.db2.gz FLCKSTOLCAHSEV-QWRGUYRKSA-N 0 1 209.289 2.034 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccccc1)C1CCC1 ZINC000211452541 345737153 /nfs/dbraw/zinc/73/71/53/345737153.db2.gz LULKXAIJGPPWFM-UHFFFAOYSA-N 0 1 219.284 2.126 20 0 BEADMN CCC(C)(CC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635560277 345762633 /nfs/dbraw/zinc/76/26/33/345762633.db2.gz YHWAZWBLTZZOSE-NXEZZACHSA-N 0 1 235.331 2.208 20 0 BEADMN CC(C)=C(C)CC(=O)NCc1cc(C)[nH]n1 ZINC000635564046 345781738 /nfs/dbraw/zinc/78/17/38/345781738.db2.gz BFJFTPFCGXJJHO-UHFFFAOYSA-N 0 1 221.304 2.081 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCC1 ZINC000635565182 345789885 /nfs/dbraw/zinc/78/98/85/345789885.db2.gz BAJOGWAFEWMJHJ-YUSALJHKSA-N 0 1 247.342 2.208 20 0 BEADMN C[C@H](C(=O)NC(C)(C)c1cccs1)N(C)C ZINC000635575503 345834621 /nfs/dbraw/zinc/83/46/21/345834621.db2.gz IEXJDHLHXQAGMZ-SECBINFHSA-N 0 1 240.372 2.050 20 0 BEADMN C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)N(C)C ZINC000635575668 345838461 /nfs/dbraw/zinc/83/84/61/345838461.db2.gz KDEWMLKRRJUEEL-NDBYEHHHSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)[C@@H]1C ZINC000393429324 323096396 /nfs/dbraw/zinc/09/63/96/323096396.db2.gz PTTOMEGLLDVEKB-MRTMQBJTSA-N 0 1 227.739 2.208 20 0 BEADMN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C ZINC000635604722 345888796 /nfs/dbraw/zinc/88/87/96/345888796.db2.gz WJBSBLZKGIKJGR-WRWGMCAJSA-N 0 1 247.342 2.160 20 0 BEADMN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2C)o1 ZINC000390334119 259386357 /nfs/dbraw/zinc/38/63/57/259386357.db2.gz LFXOETREJCEKGB-VHSXEESVSA-N 0 1 223.320 2.471 20 0 BEADMN C[C@H](C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N(C)C ZINC000635614176 345893653 /nfs/dbraw/zinc/89/36/53/345893653.db2.gz VTNHSVXCUWFXDM-MROQNXINSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635614743 345893732 /nfs/dbraw/zinc/89/37/32/345893732.db2.gz FHJKIRMOGMZQRQ-NNYUYHANSA-N 0 1 249.358 2.454 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@@H]1CCN1C1CCCC1 ZINC000635583244 345879668 /nfs/dbraw/zinc/87/96/68/345879668.db2.gz QJWPWCCNKBXYQZ-OCCSQVGLSA-N 0 1 248.370 2.228 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCCCN1C ZINC000635635848 345911120 /nfs/dbraw/zinc/91/11/20/345911120.db2.gz UDVMCYPUAFPQLF-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)N(C)C)[C@@H](C)c1ccccc1 ZINC000635641756 345914471 /nfs/dbraw/zinc/91/44/71/345914471.db2.gz WRXMFZQLTGEYRO-JHJVBQTASA-N 0 1 248.370 2.245 20 0 BEADMN CCCc1nsc(NC[C@@H]2CC23CC3)n1 ZINC000418972175 192092873 /nfs/dbraw/zinc/09/28/73/192092873.db2.gz BXCZMQYXXBPMIW-QMMMGPOBSA-N 0 1 223.345 2.125 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)[C@@H](C)N(C)C ZINC000635659665 345938294 /nfs/dbraw/zinc/93/82/94/345938294.db2.gz GWSWSDWGSXLNQP-LLVKDONJSA-N 0 1 228.380 2.125 20 0 BEADMN CCC1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCC1 ZINC000635659997 345938860 /nfs/dbraw/zinc/93/88/60/345938860.db2.gz CLVHRXHBNCDGJD-GHMZBOCLSA-N 0 1 247.342 2.210 20 0 BEADMN C[C@H](C(=O)N(CC1CC1)c1ccccc1)N(C)C ZINC000635662852 345946535 /nfs/dbraw/zinc/94/65/35/345946535.db2.gz ZOMINSMFQDEYBK-GFCCVEGCSA-N 0 1 246.354 2.380 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635677445 345974705 /nfs/dbraw/zinc/97/47/05/345974705.db2.gz SDPLFVRZRFBFOA-QCNOEVLYSA-N 0 1 247.342 2.208 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCN1C ZINC000635677810 345974791 /nfs/dbraw/zinc/97/47/91/345974791.db2.gz WAOVXGBIGQRDOX-AGIUHOORSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635677441 345974869 /nfs/dbraw/zinc/97/48/69/345974869.db2.gz SDPLFVRZRFBFOA-IRCOFANPSA-N 0 1 247.342 2.208 20 0 BEADMN COCC1(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000381468479 345987644 /nfs/dbraw/zinc/98/76/44/345987644.db2.gz NIIZQIZEVWNEOF-VIFPVBQESA-N 0 1 224.279 2.050 20 0 BEADMN CCc1ncc(CNC(=O)C2=CCCCC2)[nH]1 ZINC001639093239 1172070663 /nfs/dbraw/zinc/07/06/63/1172070663.db2.gz HQWSZOHGWYXFFF-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN Cc1ccc(NC(=O)CN(C)CC(C)(C)C)cn1 ZINC000635712313 346021108 /nfs/dbraw/zinc/02/11/08/346021108.db2.gz MXURKIFLTSSQNK-UHFFFAOYSA-N 0 1 249.358 2.306 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000601007277 345997433 /nfs/dbraw/zinc/99/74/33/345997433.db2.gz AXOJPYHWYCJAEI-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)C(NC(=O)[C@@H]1CCCCN1C)C(C)C ZINC000635712763 346017570 /nfs/dbraw/zinc/01/75/70/346017570.db2.gz SVLQJJWKGFUZFO-LBPRGKRZSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000635761846 346054036 /nfs/dbraw/zinc/05/40/36/346054036.db2.gz CSFOJPBFKNBZRK-QWHCGFSZSA-N 0 1 238.375 2.284 20 0 BEADMN CC(C)=C(C)CC(=O)N1CCN(C)CC1(C)C ZINC000635752289 346049008 /nfs/dbraw/zinc/04/90/08/346049008.db2.gz JMRRVVAKYBFPBH-UHFFFAOYSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@@H]1CCCCN1C ZINC000635809450 346073567 /nfs/dbraw/zinc/07/35/67/346073567.db2.gz IEAZWOFLTSUYNF-AAEUAGOBSA-N 0 1 238.375 2.166 20 0 BEADMN CCCC[C@@H](COC)N[C@@H]1CCn2ccnc21 ZINC000449369800 201887037 /nfs/dbraw/zinc/88/70/37/201887037.db2.gz GEIMFNCWQGXEHA-NWDGAFQWSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@H](C(=O)N[C@H]1CCC[C@H](C)CC1)N(C)C ZINC000635837060 346081622 /nfs/dbraw/zinc/08/16/22/346081622.db2.gz ATDZFSASDFRUQV-TUAOUCFPSA-N 0 1 226.364 2.022 20 0 BEADMN CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1(C)CCCC1 ZINC000635870338 346092448 /nfs/dbraw/zinc/09/24/48/346092448.db2.gz YRMLCGOYFZDWKS-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN CN(C(=O)[C@@H]1CCCCN1C)C1(C)CCCC1 ZINC000635870338 346092450 /nfs/dbraw/zinc/09/24/50/346092450.db2.gz YRMLCGOYFZDWKS-LBPRGKRZSA-N 0 1 238.375 2.262 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CC2CCC2)n1 ZINC000192585975 346098594 /nfs/dbraw/zinc/09/85/94/346098594.db2.gz XLGIOZKCOVUXBN-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+](C)CC2CCC2)n1 ZINC000192585975 346098595 /nfs/dbraw/zinc/09/85/95/346098595.db2.gz XLGIOZKCOVUXBN-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@@H]1CN(C2CCCC2)C[C@H](C)[S@@]1=O ZINC000586779058 346099525 /nfs/dbraw/zinc/09/95/25/346099525.db2.gz VEXUBPHBWYANSZ-NVBFEUDRSA-N 0 1 229.389 2.160 20 0 BEADMN C[C@H](C(=O)N1CCC[C@H](C(C)(C)C)C1)N(C)C ZINC000635883538 346101728 /nfs/dbraw/zinc/10/17/28/346101728.db2.gz ZVXRJDLHXBJDCY-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)=C(C)CC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000635925811 346116131 /nfs/dbraw/zinc/11/61/31/346116131.db2.gz LJZSPRFKCAPKFD-VIFPVBQESA-N 0 1 236.319 2.037 20 0 BEADMN CCN(CC(C)(C)C)C(=O)[C@@H]1CCCCN1C ZINC000635949764 346120531 /nfs/dbraw/zinc/12/05/31/346120531.db2.gz CBFUDOTUAJPSSE-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN(C(=O)[C@@H]1CCCCN1C)[C@H](C)C(C)C ZINC000635941183 346124444 /nfs/dbraw/zinc/12/44/44/346124444.db2.gz FVJHFCNSXZYMEM-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC[C@H]1CC[C@H](NC(=O)[C@@H](C)N(C)C)CC1 ZINC000635960781 346133848 /nfs/dbraw/zinc/13/38/48/346133848.db2.gz JEUDJDZWOIKWIC-IJLUTSLNSA-N 0 1 226.364 2.022 20 0 BEADMN CS[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000563281566 323108088 /nfs/dbraw/zinc/10/80/88/323108088.db2.gz COLMPGMVKWXFJM-QWRGUYRKSA-N 0 1 243.372 2.067 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000636011074 346152942 /nfs/dbraw/zinc/15/29/42/346152942.db2.gz YERSMSIBTRVSSQ-YVECIDJPSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H]1CCC(C)(C)N1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636011569 346152996 /nfs/dbraw/zinc/15/29/96/346152996.db2.gz HLWBHYIVSBOUSX-GMTAPVOTSA-N 0 1 247.342 2.303 20 0 BEADMN C[C@@H](c1ccco1)N(C)CCn1ccccc1=O ZINC000586830562 346154877 /nfs/dbraw/zinc/15/48/77/346154877.db2.gz MOFFPENYSSWYGY-LBPRGKRZSA-N 0 1 246.310 2.134 20 0 BEADMN C[C@H](C(=O)NCC1(C2CCC2)CCC1)N(C)C ZINC000636013266 346154917 /nfs/dbraw/zinc/15/49/17/346154917.db2.gz LHSDAINZEJOMNL-LLVKDONJSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](NC(=O)[C@@H](C)N(C)C)C1CCCC1 ZINC000636021392 346159301 /nfs/dbraw/zinc/15/93/01/346159301.db2.gz OFQRUFGVSSEBJW-DGCLKSJQSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)(C)OCCCC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000563279208 323107802 /nfs/dbraw/zinc/10/78/02/323107802.db2.gz PWNNSHILGWWUGA-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN COC1(CNCc2cnc(C3CC3)o2)CCC1 ZINC000628236271 346190306 /nfs/dbraw/zinc/19/03/06/346190306.db2.gz VTKZDMHNBHUPJO-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1ncc(CN(C)CCc2ccccn2)o1 ZINC000628237196 346193319 /nfs/dbraw/zinc/19/33/19/346193319.db2.gz FGDIUKKXBCNSHP-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN Cc1cccc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000336369450 179012522 /nfs/dbraw/zinc/01/25/22/179012522.db2.gz PXPOQHGQHWFJJS-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN CC[N@H+]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC000294765116 346260436 /nfs/dbraw/zinc/26/04/36/346260436.db2.gz MFEWOVBHPRLFFC-LLVKDONJSA-N 0 1 239.388 2.025 20 0 BEADMN COC(C)(C)CN(C)Cc1c(C)noc1C ZINC000531829038 323115119 /nfs/dbraw/zinc/11/51/19/323115119.db2.gz NRHTWOSIRZCQGP-UHFFFAOYSA-N 0 1 226.320 2.148 20 0 BEADMN C/C=C\C[C@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000626162995 346274264 /nfs/dbraw/zinc/27/42/64/346274264.db2.gz CGGVOQIJYFORFB-DLGQBQFBSA-N 0 1 246.358 2.067 20 0 BEADMN C/C=C\C[C@@H]1CCCN(Cc2nccc(N)n2)C1 ZINC000626162998 346274454 /nfs/dbraw/zinc/27/44/54/346274454.db2.gz CGGVOQIJYFORFB-ZZKXABKFSA-N 0 1 246.358 2.067 20 0 BEADMN Cc1cccc(C)c1CN(C)CC(=O)NC1CC1 ZINC000265663236 179032497 /nfs/dbraw/zinc/03/24/97/179032497.db2.gz TXFJWMRGDDJRKQ-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H](CO)CCC(C)C)no1 ZINC000624110902 346298357 /nfs/dbraw/zinc/29/83/57/346298357.db2.gz IRTXNUVNBZIKCG-VXGBXAGGSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1cccc(C)c1C[N@@H+](C)CCC(=O)[O-] ZINC000122180205 179033536 /nfs/dbraw/zinc/03/35/36/179033536.db2.gz JTDSVPQMEVWMLD-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN CCC[C@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636066389 346306144 /nfs/dbraw/zinc/30/61/44/346306144.db2.gz BWVWIKDXFWZHCT-VIFPVBQESA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCC(F)(F)F ZINC000636066799 346306476 /nfs/dbraw/zinc/30/64/76/346306476.db2.gz HGXPVWOWQCOEPX-UHFFFAOYSA-N 0 1 249.236 2.019 20 0 BEADMN Cc1cccc(C)c1[C@@H](C)NC(=O)CN(C)C ZINC000355351345 179049988 /nfs/dbraw/zinc/04/99/88/179049988.db2.gz UIRGFPNPCDHNKI-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN CCCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC000636145662 346333837 /nfs/dbraw/zinc/33/38/37/346333837.db2.gz NNXHLNZEJCVSGX-LBPRGKRZSA-N 0 1 226.364 2.118 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C12CCC(CC1)C2 ZINC000636067607 346308606 /nfs/dbraw/zinc/30/86/06/346308606.db2.gz BZYJJRXZKMFFME-UHFFFAOYSA-N 0 1 247.342 2.257 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000636068910 346310228 /nfs/dbraw/zinc/31/02/28/346310228.db2.gz TVPGOZSNPHEOIW-GXSJLCMTSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CCCC1CC1 ZINC000636069682 346311162 /nfs/dbraw/zinc/31/11/62/346311162.db2.gz XRUWKBHWAQZUIX-UHFFFAOYSA-N 0 1 235.331 2.257 20 0 BEADMN Cc1ccc(C(=O)N(C)Cc2cn[nH]c2C)s1 ZINC000636077194 346312531 /nfs/dbraw/zinc/31/25/31/346312531.db2.gz WEHHNAHOLYDCNP-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN CC(C)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000074998419 346312647 /nfs/dbraw/zinc/31/26/47/346312647.db2.gz YIYRWZAGGVJYSD-UHFFFAOYSA-N 0 1 231.299 2.225 20 0 BEADMN CCCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)C ZINC000636147977 346334646 /nfs/dbraw/zinc/33/46/46/346334646.db2.gz XFUDZMHBDIWPOW-GHMZBOCLSA-N 0 1 235.331 2.160 20 0 BEADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC12CCCC2 ZINC000636121994 346325291 /nfs/dbraw/zinc/32/52/91/346325291.db2.gz ZXXRCLMHHYSIRP-GHMZBOCLSA-N 0 1 245.326 2.058 20 0 BEADMN CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000636227212 346361087 /nfs/dbraw/zinc/36/10/87/346361087.db2.gz QVUZGACEVFSRRJ-WZRBSPASSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H](C(=O)NC[C@@H](C)C1CCCCC1)N(C)C ZINC000636235742 346363720 /nfs/dbraw/zinc/36/37/20/346363720.db2.gz LZMKLPGAGFSZHS-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636237031 346364676 /nfs/dbraw/zinc/36/46/76/346364676.db2.gz CZFOACVSJYIKQW-GMTAPVOTSA-N 0 1 247.342 2.018 20 0 BEADMN C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N(C)C ZINC000636239787 346365230 /nfs/dbraw/zinc/36/52/30/346365230.db2.gz QUCKRPRHIOLAAK-AGIUHOORSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cccc(CN(C)CC2OCCO2)c1C ZINC000298219811 179062921 /nfs/dbraw/zinc/06/29/21/179062921.db2.gz FUJSNAWUUSMFCY-UHFFFAOYSA-N 0 1 235.327 2.108 20 0 BEADMN Cc1cccc(CN(C)C2CC(O)C2)c1F ZINC000336212840 179064080 /nfs/dbraw/zinc/06/40/80/179064080.db2.gz QWCQFPVLINADSF-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN Cc1cccc(CCNCc2cocn2)c1 ZINC000192301461 179058911 /nfs/dbraw/zinc/05/89/11/179058911.db2.gz UHWSAFYXBUYZBU-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN Cc1cccc(CN(C)[C@@H](C)C(=O)NC2CC2)c1 ZINC000298865592 179069568 /nfs/dbraw/zinc/06/95/68/179069568.db2.gz ROWSHMNXKFGJNT-LBPRGKRZSA-N 0 1 246.354 2.094 20 0 BEADMN Cc1cccc(CN(C)CCOCC(C)C)n1 ZINC000336694363 179065431 /nfs/dbraw/zinc/06/54/31/179065431.db2.gz KPPRVUGWFVSIHD-UHFFFAOYSA-N 0 1 236.359 2.494 20 0 BEADMN COCC[C@@H]1CCC[C@@H]1N[C@H](C)C(F)F ZINC000641792605 362727489 /nfs/dbraw/zinc/72/74/89/362727489.db2.gz XPFLMEGHMDPIGQ-UTLUCORTSA-N 0 1 221.291 2.435 20 0 BEADMN c1c[nH]c(CNC23CC(c4ccccc4)(C2)C3)n1 ZINC000641790775 362728636 /nfs/dbraw/zinc/72/86/36/362728636.db2.gz VYYFFPSFIAHYJW-UHFFFAOYSA-N 0 1 239.322 2.374 20 0 BEADMN CCC=CCNCc1cc(C(F)(F)F)n[nH]1 ZINC000449463666 201932893 /nfs/dbraw/zinc/93/28/93/201932893.db2.gz XEPUQFWRLXCWMM-ONEGZZNKSA-N 0 1 233.237 2.484 20 0 BEADMN Cc1nccc(NC[C@@H]2CCCOC2)c1Cl ZINC000334216238 346445758 /nfs/dbraw/zinc/44/57/58/346445758.db2.gz UWGGTBVFSOJZRO-JTQLQIEISA-N 0 1 240.734 2.304 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000641793832 362733256 /nfs/dbraw/zinc/73/32/56/362733256.db2.gz IFKGEWRASWKODW-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN CCC(F)(F)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000641793832 362733260 /nfs/dbraw/zinc/73/32/60/362733260.db2.gz IFKGEWRASWKODW-SECBINFHSA-N 0 1 235.274 2.361 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000641794812 362738614 /nfs/dbraw/zinc/73/86/14/362738614.db2.gz QJDFLBRPVPUDPH-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000641794812 362738617 /nfs/dbraw/zinc/73/86/17/362738617.db2.gz QJDFLBRPVPUDPH-DTWKUNHWSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000641793298 362736239 /nfs/dbraw/zinc/73/62/39/362736239.db2.gz AANRYMULOCVTCP-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000641793298 362736246 /nfs/dbraw/zinc/73/62/46/362736246.db2.gz AANRYMULOCVTCP-RKDXNWHRSA-N 0 1 235.274 2.074 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CC12CCC(CC1)C2 ZINC000563453656 323127135 /nfs/dbraw/zinc/12/71/35/323127135.db2.gz LIGCVOADNDVKLX-XSRFYTQQSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nc(CNCCc2ccccc2O)[nH]c1C ZINC000580095684 346524051 /nfs/dbraw/zinc/52/40/51/346524051.db2.gz CXJPZGNGSQHGOV-UHFFFAOYSA-N 0 1 245.326 2.064 20 0 BEADMN CC[C@@H](O)CN[C@@H](C)c1c(F)cccc1F ZINC000162192741 346514188 /nfs/dbraw/zinc/51/41/88/346514188.db2.gz WNWAHKCJUPRCME-DTWKUNHWSA-N 0 1 229.270 2.386 20 0 BEADMN CC[C@@H]1CN(CCOCC2CCC2)C[C@@H](C)O1 ZINC000419208564 192103424 /nfs/dbraw/zinc/10/34/24/192103424.db2.gz RCHLCTAINRJDAB-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN CCCN(CCC)Cc1nc(CO)cs1 ZINC000669379707 537982468 /nfs/dbraw/zinc/98/24/68/537982468.db2.gz KIELUYSYIGGSCT-UHFFFAOYSA-N 0 1 228.361 2.257 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1C ZINC000603473237 349973287 /nfs/dbraw/zinc/97/32/87/349973287.db2.gz USZYLJZQJVHNLI-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@H]1C ZINC000603473236 349973309 /nfs/dbraw/zinc/97/33/09/349973309.db2.gz USZYLJZQJVHNLI-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C ZINC000603473235 349973479 /nfs/dbraw/zinc/97/34/79/349973479.db2.gz USZYLJZQJVHNLI-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)Cc1cnn(C)c1 ZINC000162547791 346526906 /nfs/dbraw/zinc/52/69/06/346526906.db2.gz IIXOMSMONRWKLJ-AWEZNQCLSA-N 0 1 244.342 2.398 20 0 BEADMN Cc1ncc(C(=O)N(C)C[C@H](C)C(C)(C)C)[nH]1 ZINC000636431540 346532106 /nfs/dbraw/zinc/53/21/06/346532106.db2.gz CGDHABYRUYNRAJ-VIFPVBQESA-N 0 1 237.347 2.472 20 0 BEADMN CC[C@@H]1CN(CCc2ccccc2)CCO1 ZINC000192807011 365832544 /nfs/dbraw/zinc/83/25/44/365832544.db2.gz UGRHGLRYGPGVQP-CQSZACIVSA-N 0 1 219.328 2.340 20 0 BEADMN CCc1nc(CN[C@](C)(CC)CCO)cs1 ZINC000166042682 346664271 /nfs/dbraw/zinc/66/42/71/346664271.db2.gz BHVNJBNRIYYBJL-GFCCVEGCSA-N 0 1 242.388 2.346 20 0 BEADMN Cc1ccc(-c2cc(C(=O)N(C)C)n[nH]2)c(C)c1 ZINC000187831101 346624261 /nfs/dbraw/zinc/62/42/61/346624261.db2.gz PAHOJSYJYWXSQI-UHFFFAOYSA-N 0 1 243.310 2.395 20 0 BEADMN Cc1cccc(NC(=O)c2ncccc2O)c1 ZINC000037760393 179142828 /nfs/dbraw/zinc/14/28/28/179142828.db2.gz IOECKIVEYSUPOL-UHFFFAOYSA-N 0 1 228.251 2.348 20 0 BEADMN Cc1n[nH]cc1CCCNc1cccc(C)n1 ZINC000050182942 179144953 /nfs/dbraw/zinc/14/49/53/179144953.db2.gz UULDGAKMZHBOLN-UHFFFAOYSA-N 0 1 230.315 2.466 20 0 BEADMN Cc1cccc(NCCCn2cccn2)n1 ZINC000127702341 179145463 /nfs/dbraw/zinc/14/54/63/179145463.db2.gz OFQQMTMGYPEBRD-UHFFFAOYSA-N 0 1 216.288 2.089 20 0 BEADMN Cc1cccc(NC[C@H](CO)C(C)C)n1 ZINC000336745881 179147797 /nfs/dbraw/zinc/14/77/97/179147797.db2.gz BOMAMOSJCBGGCQ-LLVKDONJSA-N 0 1 208.305 2.066 20 0 BEADMN NC1(c2noc(C=C3CCCC3)n2)CCC1 ZINC000577177228 365858995 /nfs/dbraw/zinc/85/89/95/365858995.db2.gz MABDRWMINULKCW-UHFFFAOYSA-N 0 1 219.288 2.365 20 0 BEADMN C[C@H]1CCC[C@@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621993639 370650621 /nfs/dbraw/zinc/65/06/21/370650621.db2.gz PGIWOFKTHSYZES-WDEREUQCSA-N 0 1 249.358 2.240 20 0 BEADMN CC1(C)C[C@H](NCc2cocn2)C(C)(C)O1 ZINC000182070547 346786286 /nfs/dbraw/zinc/78/62/86/346786286.db2.gz TUPWVODTBZUVSG-JTQLQIEISA-N 0 1 224.304 2.110 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(N)=O ZINC000182625967 346802759 /nfs/dbraw/zinc/80/27/59/346802759.db2.gz XJUHQPOZHKJCGS-GXSJLCMTSA-N 0 1 246.310 2.347 20 0 BEADMN CCCCOCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000345355882 365861664 /nfs/dbraw/zinc/86/16/64/365861664.db2.gz NWSTVSQNZVELJJ-NEPJUHHUSA-N 0 1 237.347 2.295 20 0 BEADMN CC[C@@H](O)CCCN[C@@H](C)c1cc(C)on1 ZINC000309712723 347146193 /nfs/dbraw/zinc/14/61/93/347146193.db2.gz RIKMOJBZQUVSGB-WDEREUQCSA-N 0 1 226.320 2.185 20 0 BEADMN CC[C@H]1CCCN(c2ccncc2C(N)=O)CC1 ZINC000184118818 347150062 /nfs/dbraw/zinc/15/00/62/347150062.db2.gz YGODALPZPMETCS-NSHDSACASA-N 0 1 247.342 2.197 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(F)ccc1OC ZINC000580676498 365872287 /nfs/dbraw/zinc/87/22/87/365872287.db2.gz KSXNFFBHGSSBIH-DGCLKSJQSA-N 0 1 239.290 2.101 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000580330345 347191482 /nfs/dbraw/zinc/19/14/82/347191482.db2.gz GYUBXXJGCFRYMA-NEPJUHHUSA-N 0 1 247.338 2.196 20 0 BEADMN Cc1ccccc1CN(C)[C@H](C)C[S@](C)=O ZINC000185132361 347191849 /nfs/dbraw/zinc/19/18/49/347191849.db2.gz KANSXELVGZBOBT-WBMJQRKESA-N 0 1 239.384 2.194 20 0 BEADMN CCC(CC)(CC)NCc1nc(N(C)C)no1 ZINC000185275812 347195174 /nfs/dbraw/zinc/19/51/74/347195174.db2.gz MOBOZCUJUWUNSQ-UHFFFAOYSA-N 0 1 240.351 2.194 20 0 BEADMN Cc1nnc(CNC[C@@]2(C)CCCS2)s1 ZINC000391879609 347204062 /nfs/dbraw/zinc/20/40/62/347204062.db2.gz UYWDJZKFDGNSEC-SNVBAGLBSA-N 0 1 243.401 2.222 20 0 BEADMN Cc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000075589756 179180208 /nfs/dbraw/zinc/18/02/08/179180208.db2.gz HZZFQJIUMMAXND-GFCCVEGCSA-N 0 1 205.301 2.388 20 0 BEADMN Cc1cccc(CCN2C[C@H](C)O[C@H](C)[C@@H]2C)n1 ZINC000563052107 347215251 /nfs/dbraw/zinc/21/52/51/347215251.db2.gz GASHLWWBZSCVEO-MELADBBJSA-N 0 1 248.370 2.430 20 0 BEADMN Cc1nc(C)c(CNCCC(C)(F)F)o1 ZINC000628296938 347243567 /nfs/dbraw/zinc/24/35/67/347243567.db2.gz CYEWOEAURAGQML-UHFFFAOYSA-N 0 1 218.247 2.426 20 0 BEADMN CO[C@@H](CNCc1cc(C)no1)CC(C)C ZINC000631158507 347243679 /nfs/dbraw/zinc/24/36/79/347243679.db2.gz BMBXGWVOJOXAGN-LLVKDONJSA-N 0 1 226.320 2.134 20 0 BEADMN CCC(F)(F)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000624149055 347284937 /nfs/dbraw/zinc/28/49/37/347284937.db2.gz VHXQEWABHDUARC-VHSXEESVSA-N 0 1 221.291 2.436 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000300846257 347269093 /nfs/dbraw/zinc/26/90/93/347269093.db2.gz AMVRCDCBWJXFEQ-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN CO[C@@H]([C@@H](C)NCc1cscn1)C1CC1 ZINC000388272104 347282070 /nfs/dbraw/zinc/28/20/70/347282070.db2.gz HMLCTPNKVKRURX-KCJUWKMLSA-N 0 1 226.345 2.046 20 0 BEADMN Cn1cc(CN2CC=CCC2)c(C(C)(C)C)n1 ZINC000679357525 488344625 /nfs/dbraw/zinc/34/46/25/488344625.db2.gz YGLWVKXLMLGASZ-UHFFFAOYSA-N 0 1 233.359 2.480 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])CC12CCC(CC1)C2 ZINC000571410076 323144168 /nfs/dbraw/zinc/14/41/68/323144168.db2.gz OMFAHHBQTKLFSW-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000616925596 347457467 /nfs/dbraw/zinc/45/74/67/347457467.db2.gz LABNVZPSQLGYGG-GHMZBOCLSA-N 0 1 235.331 2.194 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616921762 347451497 /nfs/dbraw/zinc/45/14/97/347451497.db2.gz BLSVDQNTDHRLOJ-LLVKDONJSA-N 0 1 237.347 2.440 20 0 BEADMN Cc1ccc(C)c(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC000616922031 347452411 /nfs/dbraw/zinc/45/24/11/347452411.db2.gz MZQREYVIQPIOFL-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN Cc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1C ZINC000616922084 347452589 /nfs/dbraw/zinc/45/25/89/347452589.db2.gz OTNPLZQBLLYVSY-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)o2)C[C@H]1C ZINC000628299384 347422801 /nfs/dbraw/zinc/42/28/01/347422801.db2.gz NLFMMPDRLXFVCL-ZWNOBZJWSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1cc(C)cc(CNC(=O)C2(N(C)C)CC2)c1 ZINC000618158062 347434756 /nfs/dbraw/zinc/43/47/56/347434756.db2.gz ATJYVFYRMIXJJO-UHFFFAOYSA-N 0 1 246.354 2.014 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616928695 347495201 /nfs/dbraw/zinc/49/52/01/347495201.db2.gz JEQXZEAIIFMCNJ-ZWNOBZJWSA-N 0 1 235.331 2.194 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927350 347458311 /nfs/dbraw/zinc/45/83/11/347458311.db2.gz FZHIXJBQYGIMMA-SNVBAGLBSA-N 0 1 223.320 2.050 20 0 BEADMN CCc1ccccc1C(=O)N(C)Cc1cnc[nH]1 ZINC000616926651 347458881 /nfs/dbraw/zinc/45/88/81/347458881.db2.gz KKKJFBHMQIUQFC-UHFFFAOYSA-N 0 1 243.310 2.244 20 0 BEADMN C[C@@H]1CCC[C@@H]1CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927401 347459685 /nfs/dbraw/zinc/45/96/85/347459685.db2.gz IFFCTFKUGGATRA-GHMZBOCLSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1ccccc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000336527853 179248229 /nfs/dbraw/zinc/24/82/29/179248229.db2.gz UIHGXGUBZRPBFQ-OLZOCXBDSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccccc1C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000336527852 179248912 /nfs/dbraw/zinc/24/89/12/179248912.db2.gz UIHGXGUBZRPBFQ-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN CCCc1cc(C(=O)N2CCC[C@@H]2C2CC2)n[nH]1 ZINC000590721064 347500861 /nfs/dbraw/zinc/50/08/61/347500861.db2.gz OVKZOHYUGBUJNU-CYBMUJFWSA-N 0 1 247.342 2.377 20 0 BEADMN CC[C@H](C)N(CC)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000616980987 347562862 /nfs/dbraw/zinc/56/28/62/347562862.db2.gz RQGNFDIHCIEHGN-WDEREUQCSA-N 0 1 249.358 2.477 20 0 BEADMN Cc1ccccc1CCC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000178901297 179261175 /nfs/dbraw/zinc/26/11/75/179261175.db2.gz WMAOWCDEKZCBNQ-CQSZACIVSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1ccccc1CCNCc1csnn1 ZINC000086762933 179265940 /nfs/dbraw/zinc/26/59/40/179265940.db2.gz UKTMDMFVBRQAOV-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN Fc1ccc(C2(NCc3cn[nH]c3)CC2)cc1 ZINC000591723835 347689093 /nfs/dbraw/zinc/68/90/93/347689093.db2.gz IPACLBGPOHQMDF-UHFFFAOYSA-N 0 1 231.274 2.328 20 0 BEADMN Cc1ccccc1CN1CCC[C@]12CCOC2=O ZINC000186625469 179274992 /nfs/dbraw/zinc/27/49/92/179274992.db2.gz NRYDDDDOFHPFRU-OAHLLOKOSA-N 0 1 245.322 2.277 20 0 BEADMN Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000334271101 179276716 /nfs/dbraw/zinc/27/67/16/179276716.db2.gz UFVIMJCJDNMVMS-OKILXGFUSA-N 0 1 217.312 2.358 20 0 BEADMN CS[C@@H](C)CCc1nc([C@H]2CCCN2)no1 ZINC000592357069 347772446 /nfs/dbraw/zinc/77/24/46/347772446.db2.gz RWXRKPMUPFLFLB-DTWKUNHWSA-N 0 1 241.360 2.178 20 0 BEADMN CCCN(CCCS(=O)(=O)C(C)C)C1CC1 ZINC000176858077 365916602 /nfs/dbraw/zinc/91/66/02/365916602.db2.gz SBKUWDKQVZFNEF-UHFFFAOYSA-N 0 1 247.404 2.074 20 0 BEADMN C[C@H](N[C@@H](C)c1cnn(C)c1)c1ccoc1 ZINC000303393874 323159239 /nfs/dbraw/zinc/15/92/39/323159239.db2.gz MPTFYCQBIHPNDW-UWVGGRQHSA-N 0 1 219.288 2.425 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000628300236 347885322 /nfs/dbraw/zinc/88/53/22/347885322.db2.gz WHXYVTZGVNPOKC-JSGCOSHPSA-N 0 1 231.343 2.339 20 0 BEADMN CCc1ncc(CN(CC)[C@@H]2CCOC2)s1 ZINC000361252927 187382758 /nfs/dbraw/zinc/38/27/58/187382758.db2.gz STJXBQPQLLCBNT-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)[C@@H]1CCN(C)C1=O ZINC000268944182 179317485 /nfs/dbraw/zinc/31/74/85/179317485.db2.gz LLFVWVGJDCHGHT-TZMCWYRMSA-N 0 1 246.354 2.219 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)N1CCNC[C@@H]1C ZINC000577371353 365936614 /nfs/dbraw/zinc/93/66/14/365936614.db2.gz ZYTYKLIMMCZGBT-AVGNSLFASA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC1CCCC1 ZINC000296349517 179324158 /nfs/dbraw/zinc/32/41/58/179324158.db2.gz IUQGUMBGCBIWBR-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)[C@H]1CCN(C)C1=O ZINC000268944175 179334924 /nfs/dbraw/zinc/33/49/24/179334924.db2.gz LLFVWVGJDCHGHT-JSGCOSHPSA-N 0 1 246.354 2.219 20 0 BEADMN Cc1cc(CNC(=O)c2cc(F)ccc2C)n[nH]1 ZINC000603485912 349979255 /nfs/dbraw/zinc/97/92/55/349979255.db2.gz YFDZJYUIMNKWNZ-UHFFFAOYSA-N 0 1 247.273 2.096 20 0 BEADMN Cc1cc(CNC(=O)c2cc(C)ccc2C)n[nH]1 ZINC000603487161 349979625 /nfs/dbraw/zinc/97/96/25/349979625.db2.gz VUSLAUZMPWMFMY-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN Cc1cc(CNC(=O)c2ccc(C)s2)n[nH]1 ZINC000603484489 349978149 /nfs/dbraw/zinc/97/81/49/349978149.db2.gz DFPWSUVLGGHNQZ-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N1CCC(C)(C)C1 ZINC000295245150 179341684 /nfs/dbraw/zinc/34/16/84/179341684.db2.gz SZTXWWFEJPKVAB-ZDUSSCGKSA-N 0 1 246.354 2.253 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCC1(C)CCC1 ZINC000295304310 179342119 /nfs/dbraw/zinc/34/21/19/179342119.db2.gz YACLGFXIDBJQJJ-ZDUSSCGKSA-N 0 1 246.354 2.301 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCCC(C)C ZINC000083361208 179342885 /nfs/dbraw/zinc/34/28/85/179342885.db2.gz STHHRCHNXQZHMY-ZDUSSCGKSA-N 0 1 234.343 2.157 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C ZINC000295308937 179343122 /nfs/dbraw/zinc/34/31/22/179343122.db2.gz YHHGDAJWRJJFSO-UBHSHLNASA-N 0 1 246.354 2.300 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCC[C@H]1C ZINC000295308940 179343186 /nfs/dbraw/zinc/34/31/86/179343186.db2.gz YHHGDAJWRJJFSO-XBFCOCLRSA-N 0 1 246.354 2.300 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC2(CCC2)CC1 ZINC000370739183 187386013 /nfs/dbraw/zinc/38/60/13/187386013.db2.gz MHFJRPYQUFKQGQ-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCc1nc([C@@H](C)SC[C@@H]2CCCO2)n[nH]1 ZINC000594895091 348128068 /nfs/dbraw/zinc/12/80/68/348128068.db2.gz QIAKGXWMHZYKOH-BDAKNGLRSA-N 0 1 241.360 2.340 20 0 BEADMN CCc1nc([C@H](C)S[C@H]2CCO[C@@H]2C)n[nH]1 ZINC000594892861 348126583 /nfs/dbraw/zinc/12/65/83/348126583.db2.gz KCUCNPHRQJSSQI-VGMNWLOBSA-N 0 1 241.360 2.339 20 0 BEADMN Cc1cccn2c(CN[C@H](C)CF)cnc12 ZINC000336759047 179354602 /nfs/dbraw/zinc/35/46/02/179354602.db2.gz ZWGLBIMEVFWBMG-SNVBAGLBSA-N 0 1 221.279 2.090 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)[C@@H](C)C(C)C)n[nH]1 ZINC000594666456 348095137 /nfs/dbraw/zinc/09/51/37/348095137.db2.gz QXLDWSQZSQXFLE-BEPCFFQHSA-N 0 1 243.376 2.221 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)[C@@H](C)C(C)C)n[nH]1 ZINC000594666458 348095295 /nfs/dbraw/zinc/09/52/95/348095295.db2.gz QXLDWSQZSQXFLE-OMQMVUIESA-N 0 1 243.376 2.221 20 0 BEADMN CCc1nc([C@H](C)[S@](=O)CC(C)(C)C)n[nH]1 ZINC000594666363 348095526 /nfs/dbraw/zinc/09/55/26/348095526.db2.gz NTXAMGIHXIIOCB-ZKANADHPSA-N 0 1 243.376 2.223 20 0 BEADMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ncc(C)o1 ZINC000304290667 187388453 /nfs/dbraw/zinc/38/84/53/187388453.db2.gz CLBMKLBBSIEKPL-NWDGAFQWSA-N 0 1 238.331 2.108 20 0 BEADMN CCc1nc([C@H](C)SCCC(C)(C)O)n[nH]1 ZINC000594904205 348135079 /nfs/dbraw/zinc/13/50/79/348135079.db2.gz COIJWPKWACMUCI-QMMMGPOBSA-N 0 1 243.376 2.322 20 0 BEADMN Cc1c[nH]c(CNCCSCC(C)C)n1 ZINC000594938979 348142437 /nfs/dbraw/zinc/14/24/37/348142437.db2.gz UQTVKOLBSSNUNB-UHFFFAOYSA-N 0 1 227.377 2.197 20 0 BEADMN CS[C@H](C)CNCc1nccn1C(C)C ZINC000594949382 348147309 /nfs/dbraw/zinc/14/73/09/348147309.db2.gz CVDSVSIHIGJKNH-SNVBAGLBSA-N 0 1 227.377 2.305 20 0 BEADMN CC1(C)CCC[N@@H+]1Cc1ncccc1[O-] ZINC000563777627 323177454 /nfs/dbraw/zinc/17/74/54/323177454.db2.gz JRVXDCRFCIEDFB-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ncccc1[O-] ZINC000563777627 323177455 /nfs/dbraw/zinc/17/74/55/323177455.db2.gz JRVXDCRFCIEDFB-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@H](C2CC2)C1 ZINC000374907882 187388163 /nfs/dbraw/zinc/38/81/63/187388163.db2.gz FOYDFNREQHHQAX-LBPRGKRZSA-N 0 1 248.374 2.265 20 0 BEADMN C[C@H](CSCCF)NCc1nccs1 ZINC000595018056 348170757 /nfs/dbraw/zinc/17/07/57/348170757.db2.gz OZDRYVKEBHOVJG-MRVPVSSYSA-N 0 1 234.365 2.324 20 0 BEADMN CCCN(CCCC1CCC1)CC(=O)OC ZINC000595292622 348214164 /nfs/dbraw/zinc/21/41/64/348214164.db2.gz BPTPAOGRZHPQFY-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN COC(=O)[C@H]1CCCN1CCCC1CCC1 ZINC000595303376 348221430 /nfs/dbraw/zinc/22/14/30/348221430.db2.gz PKOSDTQNPVQHOZ-GFCCVEGCSA-N 0 1 225.332 2.204 20 0 BEADMN CC[C@H](CC(F)F)CN1CCC[C@H]1C(=O)OC ZINC000595303950 348221745 /nfs/dbraw/zinc/22/17/45/348221745.db2.gz ROHUTSWYQOIHAY-ZJUUUORDSA-N 0 1 249.301 2.305 20 0 BEADMN C[C@H](CSCCF)N[C@@H](C)c1ccn(C)n1 ZINC000595050413 348180702 /nfs/dbraw/zinc/18/07/02/348180702.db2.gz HLJPIACYWYEKCD-ZJUUUORDSA-N 0 1 245.367 2.162 20 0 BEADMN C[C@@H](CSCCF)N[C@@H](C)c1ccn(C)n1 ZINC000595050411 348180790 /nfs/dbraw/zinc/18/07/90/348180790.db2.gz HLJPIACYWYEKCD-UWVGGRQHSA-N 0 1 245.367 2.162 20 0 BEADMN CCc1ncc(CN[C@H](C)CSCCF)o1 ZINC000595052094 348181523 /nfs/dbraw/zinc/18/15/23/348181523.db2.gz QNBGGQDJUKUGPY-SECBINFHSA-N 0 1 246.351 2.418 20 0 BEADMN CO[C@H](CC(C)C)CN(C(C)C)C1COC1 ZINC000419279321 192113094 /nfs/dbraw/zinc/11/30/94/192113094.db2.gz HYSLTJFJGUKMRK-CYBMUJFWSA-N 0 1 229.364 2.157 20 0 BEADMN CC[C@@H]1CN(CCC2CCC2)C[C@H](C)[S@]1=O ZINC000595493121 348262022 /nfs/dbraw/zinc/26/20/22/348262022.db2.gz PCHRRKFNPUOYKT-NORZTCDRSA-N 0 1 243.416 2.408 20 0 BEADMN CC[C@@H]1CN(CCC2CCC2)C[C@H](C)[S@@]1=O ZINC000595493126 348262240 /nfs/dbraw/zinc/26/22/40/348262240.db2.gz PCHRRKFNPUOYKT-GHJWDPDVSA-N 0 1 243.416 2.408 20 0 BEADMN Cc1nc(CN[C@@H](CCO)C(C)(C)C)c(C)o1 ZINC000595422251 348245504 /nfs/dbraw/zinc/24/55/04/348245504.db2.gz KOCASQBJFDIJKM-LBPRGKRZSA-N 0 1 240.347 2.178 20 0 BEADMN CC[C@H](CC(F)F)CN(C)[C@@H](C)C(=O)OC ZINC000595472363 348259771 /nfs/dbraw/zinc/25/97/71/348259771.db2.gz GIOCJPKLAQGPDD-DTWKUNHWSA-N 0 1 237.290 2.161 20 0 BEADMN CC[C@H](CC(F)F)CN(CC(=O)OC)C1CC1 ZINC000595347323 348236235 /nfs/dbraw/zinc/23/62/35/348236235.db2.gz SOGFRYONHANDHX-SECBINFHSA-N 0 1 249.301 2.305 20 0 BEADMN C[C@@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000595564746 348283211 /nfs/dbraw/zinc/28/32/11/348283211.db2.gz CDKAAGVLDQFIHC-SNVBAGLBSA-N 0 1 220.316 2.395 20 0 BEADMN CCc1nc([C@H](C)N(CC)CCSC)n[nH]1 ZINC000595570908 348284641 /nfs/dbraw/zinc/28/46/41/348284641.db2.gz ZWTGZSPLFCHRQS-VIFPVBQESA-N 0 1 242.392 2.113 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595569602 348284816 /nfs/dbraw/zinc/28/48/16/348284816.db2.gz ZWYKMLZTULRGCL-RWMBFGLXSA-N 0 1 239.359 2.449 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC000595742208 348318773 /nfs/dbraw/zinc/31/87/73/348318773.db2.gz XSFWJCPEDSHKQB-DGCLKSJQSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)[C@H](C1CC1)N1CCC[C@H](CCF)C1 ZINC000595754999 348329249 /nfs/dbraw/zinc/32/92/49/348329249.db2.gz DSVXJZMQTMZCGC-PWSUYJOCSA-N 0 1 243.322 2.010 20 0 BEADMN CC(C)=CCCNCc1ncnn1C(C)C ZINC000397712736 362902206 /nfs/dbraw/zinc/90/22/06/362902206.db2.gz PPNXXPZXKVCQNF-UHFFFAOYSA-N 0 1 222.336 2.305 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CCCC(C)C ZINC000595872715 348386166 /nfs/dbraw/zinc/38/61/66/348386166.db2.gz WTYAAEYURDUMMR-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CC(C)c1ncc(CNC(=O)C2(C)CCC2)[nH]1 ZINC001639428285 1172104054 /nfs/dbraw/zinc/10/40/54/1172104054.db2.gz ZZWDGYLAGKIYDM-UHFFFAOYSA-N 0 1 235.331 2.340 20 0 BEADMN COC(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419331702 192123196 /nfs/dbraw/zinc/12/31/96/192123196.db2.gz JOQVWKAMJZUHLL-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CCCn1ncnc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419336138 192124671 /nfs/dbraw/zinc/12/46/71/192124671.db2.gz IKELYLLKDXMZCT-SRVKXCTJSA-N 0 1 236.363 2.164 20 0 BEADMN COCCCCN(C)[C@@H](C)c1ncc(C)o1 ZINC000419392911 192130531 /nfs/dbraw/zinc/13/05/31/192130531.db2.gz SPVNFIQBQONECB-NSHDSACASA-N 0 1 226.320 2.402 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)n1C1CC1 ZINC000419375000 192128810 /nfs/dbraw/zinc/12/88/10/192128810.db2.gz QVTSKSHYDUVROP-HBNTYKKESA-N 0 1 248.374 2.398 20 0 BEADMN CCN(C[C@H]1CCCO1)[C@@H](C)c1cnccn1 ZINC000274313528 538006307 /nfs/dbraw/zinc/00/63/07/538006307.db2.gz GOSJCIWZTFSMPL-NWDGAFQWSA-N 0 1 235.331 2.039 20 0 BEADMN COC(=O)C[C@@H](CNc1cc(C)ccn1)C1CC1 ZINC000596494003 348561073 /nfs/dbraw/zinc/56/10/73/348561073.db2.gz VQLRNJRYLMOZII-LBPRGKRZSA-N 0 1 248.326 2.391 20 0 BEADMN CCO[C@@H]1C[C@@H](NCc2cscn2)C1(C)C ZINC000082784222 348726013 /nfs/dbraw/zinc/72/60/13/348726013.db2.gz XWJGOWDGVLVSBY-GHMZBOCLSA-N 0 1 240.372 2.436 20 0 BEADMN COC(=O)c1ccc(CNCC2=CCCC2)o1 ZINC000597224943 348695548 /nfs/dbraw/zinc/69/55/48/348695548.db2.gz VQZPZPQSKRTXTR-UHFFFAOYSA-N 0 1 235.283 2.266 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000308806037 348695759 /nfs/dbraw/zinc/69/57/59/348695759.db2.gz AWHRPJBHLIMTCT-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)CCC1CC1 ZINC000308806038 348695880 /nfs/dbraw/zinc/69/58/80/348695880.db2.gz AWHRPJBHLIMTCT-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CN(c1nccnc1CN)C1CCCCCC1 ZINC000054377431 1172108828 /nfs/dbraw/zinc/10/88/28/1172108828.db2.gz JMZRDBVYSFWQSQ-UHFFFAOYSA-N 0 1 234.347 2.094 20 0 BEADMN NCc1nccnc1N1CCC[C@H]1C1CCCC1 ZINC000054378064 1172108366 /nfs/dbraw/zinc/10/83/66/1172108366.db2.gz SRQYRRIHOSWRGV-ZDUSSCGKSA-N 0 1 246.358 2.094 20 0 BEADMN CCC1CCC(N(C)c2nccnc2CN)CC1 ZINC000054377689 1172109029 /nfs/dbraw/zinc/10/90/29/1172109029.db2.gz GLVBQBVUIXTPPT-UHFFFAOYSA-N 0 1 248.374 2.340 20 0 BEADMN CCn1nnc(C)c1COc1cc(C)nc(C)c1 ZINC000642218541 362934052 /nfs/dbraw/zinc/93/40/52/362934052.db2.gz MKXRJFXHGVHSBW-UHFFFAOYSA-N 0 1 246.314 2.197 20 0 BEADMN Cc1cnc(CN[C@@H](C)COC(C)C)s1 ZINC000308883102 349023003 /nfs/dbraw/zinc/02/30/03/349023003.db2.gz UYLRZOOMWKABGY-VIFPVBQESA-N 0 1 228.361 2.355 20 0 BEADMN c1cnc(CN[C@@H]2CCc3ccccc3C2)nc1 ZINC000054459754 349033266 /nfs/dbraw/zinc/03/32/66/349033266.db2.gz GNXFTZFPLMGSAT-CQSZACIVSA-N 0 1 239.322 2.124 20 0 BEADMN CSCCN[C@@H]1CCCc2scnc21 ZINC000599022640 349077390 /nfs/dbraw/zinc/07/73/90/349077390.db2.gz NLABCQXNVGDWIO-MRVPVSSYSA-N 0 1 228.386 2.473 20 0 BEADMN c1nc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)co1 ZINC000245921711 349091731 /nfs/dbraw/zinc/09/17/31/349091731.db2.gz QYZJDRWIUVCCIY-YNEHKIRRSA-N 0 1 248.326 2.112 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000078743476 490224017 /nfs/dbraw/zinc/22/40/17/490224017.db2.gz HDHTVPNEJARIDZ-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)[N@@H+](CCCCCF)CC(=O)[O-] ZINC000308909856 349058753 /nfs/dbraw/zinc/05/87/53/349058753.db2.gz GDKAESGDXBAAGE-SNVBAGLBSA-N 0 1 219.300 2.311 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251459711 349187350 /nfs/dbraw/zinc/18/73/50/349187350.db2.gz YQXCDHQYQKIUGM-WDEREUQCSA-N 0 1 245.388 2.313 20 0 BEADMN COC(=O)C(C)(C)N(C)CC1CC(C)(C)C1 ZINC000599327224 349155881 /nfs/dbraw/zinc/15/58/81/349155881.db2.gz PSEYDRRNSQZJBQ-UHFFFAOYSA-N 0 1 227.348 2.306 20 0 BEADMN COC[C@@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000249983856 349165269 /nfs/dbraw/zinc/16/52/69/349165269.db2.gz YXPAVDSAMYFHJO-RYUDHWBXSA-N 0 1 237.347 2.219 20 0 BEADMN CCCCN(CC)C(=O)[C@H]1CCCCN1C ZINC000599389190 349168789 /nfs/dbraw/zinc/16/87/89/349168789.db2.gz XSWPMDVBZATLLO-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](CC)C[C@H]1CCCO1 ZINC000252751030 349209735 /nfs/dbraw/zinc/20/97/35/349209735.db2.gz GLYAJSSNQFKNNL-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCCO1 ZINC000252755766 349210086 /nfs/dbraw/zinc/21/00/86/349210086.db2.gz JJGPPFVSLBWPNR-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN O=[S@@](CCN(C1CC1)C1CC1)c1ccccc1 ZINC000599595498 349222902 /nfs/dbraw/zinc/22/29/02/349222902.db2.gz VESXSNJQVVSEDY-KRWDZBQOSA-N 0 1 249.379 2.421 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C[C@H]1C ZINC000253062883 349226317 /nfs/dbraw/zinc/22/63/17/349226317.db2.gz GFGSHFCUUYEMAE-VHSXEESVSA-N 0 1 237.299 2.456 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000253063257 349226355 /nfs/dbraw/zinc/22/63/55/349226355.db2.gz GNLICJASKJLLSU-GARJFASQSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)[C@@H](C(=O)[O-])C1 ZINC000253096433 349227313 /nfs/dbraw/zinc/22/73/13/349227313.db2.gz LUEVQOMLURYHEO-GRYCIOLGSA-N 0 1 223.316 2.280 20 0 BEADMN C/C=C\C[C@@H]1CCCN(CC(=O)OCC)C1 ZINC000599692809 349246102 /nfs/dbraw/zinc/24/61/02/349246102.db2.gz XXPVXZUJBXCNNI-KTLBGCOUSA-N 0 1 225.332 2.228 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H](C)c1ccccc1 ZINC000182379458 179853568 /nfs/dbraw/zinc/85/35/68/179853568.db2.gz BZXZLSHXLVADIW-JTQLQIEISA-N 0 1 243.310 2.138 20 0 BEADMN OCC[C@H]1CCCCCN1Cc1cscn1 ZINC000342030062 538039542 /nfs/dbraw/zinc/03/95/42/538039542.db2.gz HSMQSZOKCPOTBJ-GFCCVEGCSA-N 0 1 240.372 2.270 20 0 BEADMN COCCC[C@H](C)N[C@H](C)C(C)(F)F ZINC000395392150 323225403 /nfs/dbraw/zinc/22/54/03/323225403.db2.gz ALDCUBKCOJJYBZ-DTWKUNHWSA-N 0 1 209.280 2.435 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000300902401 349425661 /nfs/dbraw/zinc/42/56/61/349425661.db2.gz WJWNLXHDAHCXBG-QJPTWQEYSA-N 0 1 227.348 2.464 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000070499498 350016224 /nfs/dbraw/zinc/01/62/24/350016224.db2.gz AIOBMEDMARTPPI-UHFFFAOYSA-N 0 1 247.338 2.472 20 0 BEADMN CCSCC[C@@H](C)NCc1ccon1 ZINC000602014715 349417366 /nfs/dbraw/zinc/41/73/66/349417366.db2.gz WALBPLYPEVHFDR-SECBINFHSA-N 0 1 214.334 2.296 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C ZINC000072875557 191005336 /nfs/dbraw/zinc/00/53/36/191005336.db2.gz DMYAYNAZHWNEFO-AAEUAGOBSA-N 0 1 233.311 2.385 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1C ZINC000618510072 350046053 /nfs/dbraw/zinc/04/60/53/350046053.db2.gz QMUJALZLPCVOHJ-WOPDTQHZSA-N 0 1 247.342 2.193 20 0 BEADMN C[C@H]1C[C@@H](NCCOCC2CCC2)c2nccn21 ZINC000567846247 350050971 /nfs/dbraw/zinc/05/09/71/350050971.db2.gz JWQAIAOWNUUOEC-WCQYABFASA-N 0 1 249.358 2.295 20 0 BEADMN CCC(C)(C)OCCNCc1cnc(C)o1 ZINC000628305852 350102878 /nfs/dbraw/zinc/10/28/78/350102878.db2.gz YFZUNLZVARPXND-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN Cc1nnc(NC(=O)CCCC2CCCC2)[nH]1 ZINC000080023706 180006285 /nfs/dbraw/zinc/00/62/85/180006285.db2.gz OOQANEIWAAEMEE-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN Cc1nnc(NC(=O)CC2CCC(C)CC2)[nH]1 ZINC000359947377 180006486 /nfs/dbraw/zinc/00/64/86/180006486.db2.gz PASWYKNSNGKTKN-UHFFFAOYSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)CC2(C)CCCC2)[nH]1 ZINC000289346960 180006910 /nfs/dbraw/zinc/00/69/10/180006910.db2.gz IOHCDVBWHKUDPU-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN Cc1nnc(NC(=O)C[C@H](C)CC(C)C)[nH]1 ZINC000103258581 180006925 /nfs/dbraw/zinc/00/69/25/180006925.db2.gz BPJYMYLMTACMIL-MRVPVSSYSA-N 0 1 224.308 2.124 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)[C@@]2(C)CC=CCC2)n[nH]1 ZINC000334666179 180034562 /nfs/dbraw/zinc/03/45/62/180034562.db2.gz POFLEYFKXQNORR-RNCFNFMXSA-N 0 1 248.330 2.037 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](C)CCCO)cs1 ZINC000087358132 180037103 /nfs/dbraw/zinc/03/71/03/180037103.db2.gz UAGBZTMPCCBXGA-RKDXNWHRSA-N 0 1 228.361 2.263 20 0 BEADMN CCN(CC(=O)N(C)C)Cc1cc(C)cc(C)c1 ZINC000051791617 350116739 /nfs/dbraw/zinc/11/67/39/350116739.db2.gz JJNGTHYIONDYNP-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN Cc1nc([C@H](C)NCCCF)cs1 ZINC000336643614 180048851 /nfs/dbraw/zinc/04/88/51/180048851.db2.gz JIHMTBULCVRDFZ-ZETCQYMHSA-N 0 1 202.298 2.462 20 0 BEADMN Cc1nc([C@H](C)NC[C@H](CO)C2CC2)cs1 ZINC000309606114 180048936 /nfs/dbraw/zinc/04/89/36/180048936.db2.gz YRDJTRYAZJPEJU-GZMMTYOYSA-N 0 1 240.372 2.121 20 0 BEADMN Cc1nc([C@H](C)NC[C@@H]2CCCO2)cs1 ZINC000022863178 180049943 /nfs/dbraw/zinc/04/99/43/180049943.db2.gz YFSRRIDSVMGOGF-WPRPVWTQSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc([C@H](C)N[C@@H]2CCCC[C@@H]2O)cs1 ZINC000051997925 180050710 /nfs/dbraw/zinc/05/07/10/180050710.db2.gz SNRHEXLRHAPONY-XRNSZHNASA-N 0 1 240.372 2.406 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2CCCOC2)cs1 ZINC000071012049 180051407 /nfs/dbraw/zinc/05/14/07/180051407.db2.gz XEALREUGTFDKEL-WPRPVWTQSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCCCC2)[nH]1 ZINC000074732528 180061898 /nfs/dbraw/zinc/06/18/98/180061898.db2.gz DHNJOHYOWRKVEH-UHFFFAOYSA-N 0 1 243.310 2.497 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CCC[C@H]2C)[nH]1 ZINC000283925821 180062028 /nfs/dbraw/zinc/06/20/28/180062028.db2.gz KGSPFTYPPLRTDY-SECBINFHSA-N 0 1 243.310 2.496 20 0 BEADMN Cc1nc2cccc(C(=O)NC[C@@H]3C[C@H]3C)c2[nH]1 ZINC000283509252 180062654 /nfs/dbraw/zinc/06/26/54/180062654.db2.gz PRFUTLYAJUZBKE-SCZZXKLOSA-N 0 1 243.310 2.257 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000304160780 350146736 /nfs/dbraw/zinc/14/67/36/350146736.db2.gz BNNFKKKJRCPUJM-ZJUUUORDSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@@H]3C)c2[nH]1 ZINC000336379218 180099680 /nfs/dbraw/zinc/09/96/80/180099680.db2.gz WSZGIMUOHBKKRZ-GZMMTYOYSA-N 0 1 243.310 2.400 20 0 BEADMN CC1(C2CC2)CCN(Cc2cc[nH]n2)CC1 ZINC000336010357 535109435 /nfs/dbraw/zinc/10/94/35/535109435.db2.gz QWMFNUHPFCODOH-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000426981733 191050423 /nfs/dbraw/zinc/05/04/23/191050423.db2.gz PSVKROLZIZCNJM-WCQYABFASA-N 0 1 238.375 2.164 20 0 BEADMN CN1CCN(CCc2cccc(Cl)c2)CC1 ZINC000220508677 350174514 /nfs/dbraw/zinc/17/45/14/350174514.db2.gz TXUTVQJAWBGZDG-UHFFFAOYSA-N 0 1 238.762 2.130 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1CC12CCC2 ZINC001639572256 1172120073 /nfs/dbraw/zinc/12/00/73/1172120073.db2.gz FLCDBYJTCGSICY-GFCCVEGCSA-N 0 1 241.294 2.463 20 0 BEADMN Cc1ncc(CN[C@@H](CO)c2ccccc2)s1 ZINC000062998751 180153657 /nfs/dbraw/zinc/15/36/57/180153657.db2.gz PJMCVGAPIKUYRU-ZDUSSCGKSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cscc1CNCc1cnc(C)nc1 ZINC000336749830 180153699 /nfs/dbraw/zinc/15/36/99/180153699.db2.gz ZERCZXRWVHQIQC-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1ncc(CNCc2cncs2)s1 ZINC000054788313 180154854 /nfs/dbraw/zinc/15/48/54/180154854.db2.gz AUUYTHIACNHSLG-UHFFFAOYSA-N 0 1 225.342 2.198 20 0 BEADMN COc1ncccc1CNCc1cccs1 ZINC000037408104 191069281 /nfs/dbraw/zinc/06/92/81/191069281.db2.gz UQUMECDITMAHPD-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000604773725 350186459 /nfs/dbraw/zinc/18/64/59/350186459.db2.gz AIWVDJHENZNESU-YPMHNXCESA-N 0 1 249.310 2.003 20 0 BEADMN CC(C)[N@@H+](CCc1ccccc1F)CC(=O)[O-] ZINC000604771866 350186466 /nfs/dbraw/zinc/18/64/66/350186466.db2.gz NPGAKRJEMDZXQO-UHFFFAOYSA-N 0 1 239.290 2.163 20 0 BEADMN CC[C@@H](C)C[S@](=O)Cc1n[nH]c(C(C)C)n1 ZINC000427474113 191076942 /nfs/dbraw/zinc/07/69/42/191076942.db2.gz ZYUVZWLNCKGVDG-ABKXIKBNSA-N 0 1 243.376 2.223 20 0 BEADMN CC(C)c1nc(C[S@@](=O)[C@@H](C)C(C)C)n[nH]1 ZINC000427467651 191076981 /nfs/dbraw/zinc/07/69/81/191076981.db2.gz UORPKKKOPOZSKA-XXFAHNHDSA-N 0 1 243.376 2.221 20 0 BEADMN Cc1nccc(N2CC[C@](C)(O)C2)c1Cl ZINC000308892916 180195562 /nfs/dbraw/zinc/19/55/62/180195562.db2.gz YMJKEYWQLBLXDI-NSHDSACASA-N 0 1 226.707 2.005 20 0 BEADMN Cc1nccc(NCC2(C)COC2)c1Cl ZINC000309092071 180197859 /nfs/dbraw/zinc/19/78/59/180197859.db2.gz CMNLZSCEWSJVBA-UHFFFAOYSA-N 0 1 226.707 2.492 20 0 BEADMN Cc1nccc(NCC[C@@H](C)O)c1Cl ZINC000306205348 180198586 /nfs/dbraw/zinc/19/85/86/180198586.db2.gz ORJXLWLDFHHCOS-SSDOTTSWSA-N 0 1 214.696 2.226 20 0 BEADMN Cc1ncccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000336549432 180222148 /nfs/dbraw/zinc/22/21/48/180222148.db2.gz IIMSTMZWQRURHI-ZDUSSCGKSA-N 0 1 242.326 2.280 20 0 BEADMN C(c1nnc2n1CCCC2)N1CCCCCCC1 ZINC000363504506 191081672 /nfs/dbraw/zinc/08/16/72/191081672.db2.gz QZCPYUUHWHLNBI-UHFFFAOYSA-N 0 1 248.374 2.381 20 0 BEADMN CC/C=C\CCN[C@@H](C)c1nnc(C)o1 ZINC000309089107 323315733 /nfs/dbraw/zinc/31/57/33/323315733.db2.gz BNWIKUWZOWQOHA-UDIARPCQSA-N 0 1 209.293 2.385 20 0 BEADMN CCCCN(CC)C(=O)[C@H](N)c1ccccc1 ZINC000019429426 350296534 /nfs/dbraw/zinc/29/65/34/350296534.db2.gz OAFUYZMOTHRXKL-CYBMUJFWSA-N 0 1 234.343 2.335 20 0 BEADMN CC[N@H+](C/C=C/c1ccccc1)CCC(=O)[O-] ZINC000038024592 350299563 /nfs/dbraw/zinc/29/95/63/350299563.db2.gz KYKLHEACYVDXPH-RMKNXTFCSA-N 0 1 233.311 2.496 20 0 BEADMN O=C(N[C@]12C[C@H]1CCC2)c1n[nH]c2ccccc21 ZINC000617195084 350315639 /nfs/dbraw/zinc/31/56/39/350315639.db2.gz BHJSEBMIUVINAQ-YMTOWFKASA-N 0 1 241.294 2.235 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)c2ccsc2)n[nH]1 ZINC000606372168 350320066 /nfs/dbraw/zinc/32/00/66/350320066.db2.gz DEOXAWDCBUAQDK-VIFPVBQESA-N 0 1 249.339 2.200 20 0 BEADMN Cc1nccnc1[C@@H](C)N[C@H]1CSC1(C)C ZINC000283191968 180282371 /nfs/dbraw/zinc/28/23/71/180282371.db2.gz KQOUCKBXWRPENL-ZJUUUORDSA-N 0 1 237.372 2.330 20 0 BEADMN COCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606449404 350339046 /nfs/dbraw/zinc/33/90/46/350339046.db2.gz VOVHLYDHSXBFKR-SNVBAGLBSA-N 0 1 223.291 2.391 20 0 BEADMN C[C@H]1c2c(F)cccc2CCN1CCCO ZINC000606449977 350339083 /nfs/dbraw/zinc/33/90/83/350339083.db2.gz KVNQVYCCCHVIFN-JTQLQIEISA-N 0 1 223.291 2.127 20 0 BEADMN Cc1ncsc1CN(C)C[C@H]1CCCCO1 ZINC000171752585 180314256 /nfs/dbraw/zinc/31/42/56/180314256.db2.gz VLFGVQUKCGWQSV-LLVKDONJSA-N 0 1 240.372 2.452 20 0 BEADMN CCCN(CCC)C(=O)NCc1cc(C)[nH]n1 ZINC000606516792 350348946 /nfs/dbraw/zinc/34/89/46/350348946.db2.gz XCCDKPMAZHSJCI-UHFFFAOYSA-N 0 1 238.335 2.050 20 0 BEADMN Cc1ncsc1CC[N@H+]1CCCSCC1 ZINC000270622281 180308965 /nfs/dbraw/zinc/30/89/65/180308965.db2.gz NORYLHATXULLFX-UHFFFAOYSA-N 0 1 242.413 2.433 20 0 BEADMN Cc1nn(C(C)(C)C)c(C)c1CNCCF ZINC000280829592 180332477 /nfs/dbraw/zinc/33/24/77/180332477.db2.gz WLCQYAKDLRRPCT-UHFFFAOYSA-N 0 1 227.327 2.314 20 0 BEADMN Cc1ncsc1CNCc1cccn1C ZINC000070836367 180321644 /nfs/dbraw/zinc/32/16/44/180321644.db2.gz XKTMNVICZTUPGO-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1ncsc1CNc1cc(C(=O)[O-])cc[nH+]1 ZINC000071213713 180323216 /nfs/dbraw/zinc/32/32/16/180323216.db2.gz ZZASOCSDCUZUMY-UHFFFAOYSA-N 0 1 249.295 2.157 20 0 BEADMN Cc1ncsc1CN[C@H]1CCC[C@H]1F ZINC000306478787 180323276 /nfs/dbraw/zinc/32/32/76/180323276.db2.gz ZUSNLYHKTXTAIY-BDAKNGLRSA-N 0 1 214.309 2.432 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)CC(C)C ZINC000037460293 180349875 /nfs/dbraw/zinc/34/98/75/180349875.db2.gz DYCGADDPUJTNBD-UHFFFAOYSA-N 0 1 229.755 2.470 20 0 BEADMN CCN(Cc1ncc(C)cn1)C1CCC1 ZINC000336648137 350416822 /nfs/dbraw/zinc/41/68/22/350416822.db2.gz NLTOBNYSPYBEKE-UHFFFAOYSA-N 0 1 205.305 2.159 20 0 BEADMN CCN(Cc1sc(C)nc1C)[C@H]1CCOC1 ZINC000336657611 350421871 /nfs/dbraw/zinc/42/18/71/350421871.db2.gz MGANICXESKRZCM-NSHDSACASA-N 0 1 240.372 2.371 20 0 BEADMN CCN(Cc1sc(C)nc1C)[C@@H]1CCOC1 ZINC000336657610 350421889 /nfs/dbraw/zinc/42/18/89/350421889.db2.gz MGANICXESKRZCM-LLVKDONJSA-N 0 1 240.372 2.371 20 0 BEADMN CCN(Cc1ncc(C)cn1)CC1CCC1 ZINC000336663460 350425079 /nfs/dbraw/zinc/42/50/79/350425079.db2.gz RSQNMQDUVSPUPG-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1cccc(F)c1 ZINC000020473315 180340004 /nfs/dbraw/zinc/34/00/04/180340004.db2.gz CZOUXYUPCAQSMD-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1cccc(C(=O)NCc2cnc[nH]2)c1Cl ZINC000162942100 350474310 /nfs/dbraw/zinc/47/43/10/350474310.db2.gz ASTJTOGXAISRFW-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC(C)(CC)CC1 ZINC000060941587 350499679 /nfs/dbraw/zinc/49/96/79/350499679.db2.gz PQRAPAWQPSWPOC-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CN(Cc1ccoc1)Cc1ccc(CO)cc1 ZINC000163421824 350520696 /nfs/dbraw/zinc/52/06/96/350520696.db2.gz ARWITUFQGKZYDJ-UHFFFAOYSA-N 0 1 231.295 2.404 20 0 BEADMN C[C@H](F)CC[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000577499934 365970051 /nfs/dbraw/zinc/97/00/51/365970051.db2.gz LQPLPGSOWQMAFA-USZNOCQGSA-N 0 1 243.322 2.452 20 0 BEADMN C[C@H](F)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000577499935 365970527 /nfs/dbraw/zinc/97/05/27/365970527.db2.gz LQPLPGSOWQMAFA-YFKTTZPYSA-N 0 1 243.322 2.452 20 0 BEADMN CCCC[C@@H](CC)C(=O)NCCN1CCC1 ZINC000337302980 350570554 /nfs/dbraw/zinc/57/05/54/350570554.db2.gz QAHAJJWMIIUXDI-GFCCVEGCSA-N 0 1 226.364 2.025 20 0 BEADMN CCCC[C@@H](C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000337106331 350554343 /nfs/dbraw/zinc/55/43/43/350554343.db2.gz SGWDSPROAKCFEO-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN CCN1CCN(C[C@H](C)CC(C)C)[C@@H](C)C1=O ZINC000337206066 350564378 /nfs/dbraw/zinc/56/43/78/350564378.db2.gz LWQHENQPJXVWQT-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000444200694 191112227 /nfs/dbraw/zinc/11/22/27/191112227.db2.gz TYJJXUHQUPHKMN-SKDRFNHKSA-N 0 1 236.315 2.047 20 0 BEADMN CCCC[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000337453708 350586939 /nfs/dbraw/zinc/58/69/39/350586939.db2.gz IXTZIUTXGRZCDH-RWMBFGLXSA-N 0 1 240.391 2.364 20 0 BEADMN CCCCOCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000337526033 350592511 /nfs/dbraw/zinc/59/25/11/350592511.db2.gz RQSBSMNXZYQUFN-LBPRGKRZSA-N 0 1 239.363 2.196 20 0 BEADMN CCCC[C@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000337540985 350593926 /nfs/dbraw/zinc/59/39/26/350593926.db2.gz YZXYETZVGUJTOG-WDEREUQCSA-N 0 1 249.358 2.210 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)CN1C[C@@H](C)[C@@H]1C ZINC000339572833 350765041 /nfs/dbraw/zinc/76/50/41/350765041.db2.gz YIFQTINDVVWWTA-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN O[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)CC1 ZINC000621298385 350724663 /nfs/dbraw/zinc/72/46/63/350724663.db2.gz UJOUVQBURSLFER-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN O[C@H]1CCCN(Cc2cncc(Cl)c2)CC1 ZINC000621298385 350724667 /nfs/dbraw/zinc/72/46/67/350724667.db2.gz UJOUVQBURSLFER-LBPRGKRZSA-N 0 1 240.734 2.082 20 0 BEADMN C[C@H]1CC[C@H](C)N1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177481627 366004129 /nfs/dbraw/zinc/00/41/29/366004129.db2.gz SAXBVVDOCKOUDE-IUCAKERBSA-N 0 1 233.315 2.300 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000251899906 362981083 /nfs/dbraw/zinc/98/10/83/362981083.db2.gz WHSFFWOFTHUWPA-WCQYABFASA-N 0 1 233.311 2.229 20 0 BEADMN CCN(Cc1oc(C(C)C)nc1C)[C@H](C)CO ZINC000339633179 350770634 /nfs/dbraw/zinc/77/06/34/350770634.db2.gz DCSRUNMBJZKSFF-SNVBAGLBSA-N 0 1 240.347 2.309 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cnc(C)o1 ZINC000628309010 350784637 /nfs/dbraw/zinc/78/46/37/350784637.db2.gz XBJSBGIXTHYYMB-LBPRGKRZSA-N 0 1 238.331 2.374 20 0 BEADMN C[C@@H](Nc1nccnc1CN)c1cccs1 ZINC001639800463 1172136749 /nfs/dbraw/zinc/13/67/49/1172136749.db2.gz RHKZEJYATUZHDC-MRVPVSSYSA-N 0 1 234.328 2.170 20 0 BEADMN Cc1ccc2nc(CNC(=O)C3(C)CC3)[nH]c2c1 ZINC000177630626 366013975 /nfs/dbraw/zinc/01/39/75/366013975.db2.gz AOTBTGQUMZHVNV-UHFFFAOYSA-N 0 1 243.310 2.288 20 0 BEADMN C[C@@H]1CC(C)(C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000575755609 350919550 /nfs/dbraw/zinc/91/95/50/350919550.db2.gz WFLHUYPDBCJCLX-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN OCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000052076381 350930662 /nfs/dbraw/zinc/93/06/62/350930662.db2.gz KOANUDPABWQXNP-UHFFFAOYSA-N 0 1 241.281 2.312 20 0 BEADMN C/C=C/CNCc1cn2cccc(F)c2n1 ZINC000623739105 350882230 /nfs/dbraw/zinc/88/22/30/350882230.db2.gz INEMCQLQXCFUDE-NSCUHMNNSA-N 0 1 219.263 2.139 20 0 BEADMN CC[C@H](C)NC(=O)CN1CCC(CC)CC1 ZINC000052279569 350943030 /nfs/dbraw/zinc/94/30/30/350943030.db2.gz SDTUGEYPSHSXMP-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000335954016 191129472 /nfs/dbraw/zinc/12/94/72/191129472.db2.gz WIAKNUWOBQGFHE-LBPRGKRZSA-N 0 1 233.315 2.158 20 0 BEADMN CC(C)(C)c1ccc(CNCc2c[nH]nn2)cc1 ZINC000398350257 351048628 /nfs/dbraw/zinc/04/86/28/351048628.db2.gz RWABYHGUDBPKDG-UHFFFAOYSA-N 0 1 244.342 2.392 20 0 BEADMN CN1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000382778450 351051314 /nfs/dbraw/zinc/05/13/14/351051314.db2.gz VUUBHQUYBMADMX-MRVPVSSYSA-N 0 1 241.316 2.162 20 0 BEADMN CCCNC(=O)[C@@H](C)N(C)Cc1ccccc1C ZINC000070740431 351064020 /nfs/dbraw/zinc/06/40/20/351064020.db2.gz WZYKICBNVLNRIU-CYBMUJFWSA-N 0 1 248.370 2.342 20 0 BEADMN CC(C)N(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000070944178 351126277 /nfs/dbraw/zinc/12/62/77/351126277.db2.gz CWVMTMHZOBEPBI-LBPRGKRZSA-N 0 1 246.354 2.304 20 0 BEADMN CC(C)c1ccc(CNCc2c[nH]nn2)cc1 ZINC000398362007 351123362 /nfs/dbraw/zinc/12/33/62/351123362.db2.gz NRFXXKSUCKPEAQ-UHFFFAOYSA-N 0 1 230.315 2.218 20 0 BEADMN CC[C@H]1CCC[C@H](C[NH2+]Cc2cnn[n-]2)C1 ZINC000398388077 351127966 /nfs/dbraw/zinc/12/79/66/351127966.db2.gz JMAXQJFXERURNL-QWRGUYRKSA-N 0 1 222.336 2.111 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CC2)c(C)s1 ZINC000083406170 351264683 /nfs/dbraw/zinc/26/46/83/351264683.db2.gz PGMOYZPHXCCWMC-UHFFFAOYSA-N 0 1 239.340 2.414 20 0 BEADMN CCN(Cc1cccn1C)Cc1ccncc1 ZINC000266825770 351294708 /nfs/dbraw/zinc/29/47/08/351294708.db2.gz XLVMZVHYOOCIMF-UHFFFAOYSA-N 0 1 229.327 2.442 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)c1[nH]nc(C)c1C ZINC000268361545 351334346 /nfs/dbraw/zinc/33/43/46/351334346.db2.gz KMVCJDXTWNUZNP-MNOVXSKESA-N 0 1 235.331 2.335 20 0 BEADMN CC[C@@H]1CCCN(c2ncnc3[nH]cnc32)CC1 ZINC000265303905 351267654 /nfs/dbraw/zinc/26/76/54/351267654.db2.gz GVXDWPABBXSSCW-SNVBAGLBSA-N 0 1 245.330 2.369 20 0 BEADMN CC(C)CNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000265590500 351271342 /nfs/dbraw/zinc/27/13/42/351271342.db2.gz TWNJBRKAJUSGGD-ZDUSSCGKSA-N 0 1 248.370 2.279 20 0 BEADMN CC[C@@H](c1ccncc1)N(C)C(=O)c1cnc[nH]1 ZINC000265701956 351274177 /nfs/dbraw/zinc/27/41/77/351274177.db2.gz VEZDTOHAHHQDCY-LBPRGKRZSA-N 0 1 244.298 2.028 20 0 BEADMN CCC[C@H](CNCc1cc(C)n(C)n1)OCC ZINC000623600041 363037766 /nfs/dbraw/zinc/03/77/66/363037766.db2.gz YMACSNIPFJJJHK-CYBMUJFWSA-N 0 1 239.363 2.023 20 0 BEADMN Clc1cncnc1NCCN1CCCCC1 ZINC000163601344 180600276 /nfs/dbraw/zinc/60/02/76/180600276.db2.gz NZVKJURJGQADKT-UHFFFAOYSA-N 0 1 240.738 2.028 20 0 BEADMN CC[C@@H](OC)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000272489631 351479844 /nfs/dbraw/zinc/47/98/44/351479844.db2.gz SVSIIEWKOZHJBC-ZCFIWIBFSA-N 0 1 247.245 2.019 20 0 BEADMN CCc1nc(C)c(CN[C@H](CC)COC)o1 ZINC000291957882 351523270 /nfs/dbraw/zinc/52/32/70/351523270.db2.gz RMWCSWUMOPFQJY-SNVBAGLBSA-N 0 1 226.320 2.060 20 0 BEADMN CCCC[C@H](C)N(C)Cc1nccn1C ZINC000275604611 351601438 /nfs/dbraw/zinc/60/14/38/351601438.db2.gz LBUHEMPBHZWTHK-NSHDSACASA-N 0 1 209.337 2.431 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000276648770 351641631 /nfs/dbraw/zinc/64/16/31/351641631.db2.gz XMASBODMQYIXBI-NSHDSACASA-N 0 1 247.342 2.207 20 0 BEADMN CCC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000577738104 366047614 /nfs/dbraw/zinc/04/76/14/366047614.db2.gz OYGVIMLPYTZPHH-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H](C)C(C)(C)C)c1C ZINC000577739873 366049136 /nfs/dbraw/zinc/04/91/36/366049136.db2.gz CCOVKPUSIOGYNK-SECBINFHSA-N 0 1 223.320 2.191 20 0 BEADMN CCCCN(C)Cc1cnc(OC)s1 ZINC000637836460 351687790 /nfs/dbraw/zinc/68/77/90/351687790.db2.gz UKRFLIWABUIWJH-UHFFFAOYSA-N 0 1 214.334 2.384 20 0 BEADMN CCCCN(CC)C(=O)c1oc(CN)cc1C ZINC000637876898 351743011 /nfs/dbraw/zinc/74/30/11/351743011.db2.gz WWUBTAPLGWACKL-UHFFFAOYSA-N 0 1 238.331 2.309 20 0 BEADMN CCN(Cc1c2c(nn1C)CCCC2)C1CC1 ZINC000637905175 351777788 /nfs/dbraw/zinc/77/77/88/351777788.db2.gz NYUAVUKDGGODTI-UHFFFAOYSA-N 0 1 233.359 2.283 20 0 BEADMN C[C@@H]1C[C@@H](NC#N)CC[N@H+]1Cc1ccccc1 ZINC000307247706 351755822 /nfs/dbraw/zinc/75/58/22/351755822.db2.gz AIXVLJHXGBHVHX-OCCSQVGLSA-N 0 1 229.327 2.110 20 0 BEADMN CCN(CCOC)Cc1ccc(C(F)F)nc1 ZINC000637896713 351768809 /nfs/dbraw/zinc/76/88/09/351768809.db2.gz OLVHRWZBRCJDRZ-UHFFFAOYSA-N 0 1 244.285 2.488 20 0 BEADMN CC(C)C1(CN2CCN(CC(F)F)CC2)CC1 ZINC000637978872 351854159 /nfs/dbraw/zinc/85/41/59/351854159.db2.gz QCSDQBNXZCFLFW-UHFFFAOYSA-N 0 1 246.345 2.305 20 0 BEADMN CC[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000280558529 351850921 /nfs/dbraw/zinc/85/09/21/351850921.db2.gz QBAWXTPEZFGWOB-NXEZZACHSA-N 0 1 236.319 2.268 20 0 BEADMN CC[C@@H](c1ccccc1)N1CC(=O)N(C)[C@H](C)C1 ZINC000282206533 351926541 /nfs/dbraw/zinc/92/65/41/351926541.db2.gz OFEGVTUBLVMHHX-OCCSQVGLSA-N 0 1 246.354 2.300 20 0 BEADMN O=c1ccc(CN2CCc3ccsc3C2)c[nH]1 ZINC000638090113 351968424 /nfs/dbraw/zinc/96/84/24/351968424.db2.gz ZJECTECBGZDCHF-UHFFFAOYSA-N 0 1 246.335 2.407 20 0 BEADMN CC1(C)CN(Cc2ccns2)CCCO1 ZINC000638098232 351977621 /nfs/dbraw/zinc/97/76/21/351977621.db2.gz LGAAKKJJWSKKMG-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccnn1C(C)C ZINC000527783078 323689564 /nfs/dbraw/zinc/68/95/64/323689564.db2.gz OUPBTQLXQBJNEB-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN CCN1CCN(C(=O)Nc2ccccc2)[C@H](C)C1 ZINC000285766238 352058557 /nfs/dbraw/zinc/05/85/57/352058557.db2.gz RSQYAFMSCAFXNY-GFCCVEGCSA-N 0 1 247.342 2.245 20 0 BEADMN CC(C)CC[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340217181 352065007 /nfs/dbraw/zinc/06/50/07/352065007.db2.gz PVOGFHLLZVGFRS-UHFFFAOYSA-N 0 1 239.319 2.001 20 0 BEADMN Cc1cnc(CNCCc2ccc(F)cc2)o1 ZINC000638301995 352133747 /nfs/dbraw/zinc/13/37/47/352133747.db2.gz WLVIYAZTCZCIME-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN CCc1cc(CNC[C@H](OC)[C@@H](C)CC)on1 ZINC000638274871 352110238 /nfs/dbraw/zinc/11/02/38/352110238.db2.gz PVXQGFYTFYBHIA-GWCFXTLKSA-N 0 1 240.347 2.388 20 0 BEADMN CCc1cc(CN[C@H](C)[C@@H]2CC2(F)F)on1 ZINC000638273287 352110677 /nfs/dbraw/zinc/11/06/77/352110677.db2.gz GMWCLDRCZGUMNQ-XCBNKYQSSA-N 0 1 230.258 2.370 20 0 BEADMN Cc1nc(CNC2CC(n3cccn3)C2)cs1 ZINC000638327964 352147918 /nfs/dbraw/zinc/14/79/18/352147918.db2.gz BRIVBAQGLIKRAV-UHFFFAOYSA-N 0 1 248.355 2.141 20 0 BEADMN c1ccc2oc(CNC[C@@H]3CCCCO3)nc2c1 ZINC000638426860 352234673 /nfs/dbraw/zinc/23/46/73/352234673.db2.gz LMNYEGNPOVDQPE-NSHDSACASA-N 0 1 246.310 2.487 20 0 BEADMN CC1(C)CN(Cc2ccncc2)[C@@H]1[C@H]1CCCO1 ZINC000289917260 352202342 /nfs/dbraw/zinc/20/23/42/352202342.db2.gz UMLRTPTVFPHSBK-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2ccccc2)n[nH]1 ZINC000411146422 191163325 /nfs/dbraw/zinc/16/33/25/191163325.db2.gz FRWMSIZNBQMRSV-JTQLQIEISA-N 0 1 230.315 2.306 20 0 BEADMN CCC[N@@H+](Cc1ccccc1)C[C@](C)(O)C(C)=O ZINC000411129570 191161587 /nfs/dbraw/zinc/16/15/87/191161587.db2.gz TURXAIZYGBEHII-HNNXBMFYSA-N 0 1 249.354 2.239 20 0 BEADMN CCCCOCCNCc1cc(C2CC2)no1 ZINC000638446258 352256049 /nfs/dbraw/zinc/25/60/49/352256049.db2.gz MJDKVMINHAGVAC-UHFFFAOYSA-N 0 1 238.331 2.458 20 0 BEADMN CCN(CC(C)C)[C@H](C)c1nnc(C)[nH]1 ZINC000411163712 191166752 /nfs/dbraw/zinc/16/67/52/191166752.db2.gz KMHWIXZDNUHGNV-SECBINFHSA-N 0 1 210.325 2.152 20 0 BEADMN Cc1nc([C@H](C)N(C)CCc2ccccc2)n[nH]1 ZINC000411173386 191167746 /nfs/dbraw/zinc/16/77/46/191167746.db2.gz PSNXXPPBALGYRG-NSHDSACASA-N 0 1 244.342 2.349 20 0 BEADMN CC1(C)CN(Cc2ccc(CO)o2)[C@H]1C1CC1 ZINC000291544018 352279063 /nfs/dbraw/zinc/27/90/63/352279063.db2.gz LPOXMNTYVGMUIV-ZDUSSCGKSA-N 0 1 235.327 2.392 20 0 BEADMN CC[C@H](C)c1cccc(NC(=O)CN)c1 ZINC000638467681 352279879 /nfs/dbraw/zinc/27/98/79/352279879.db2.gz OELCADIWVFLHGF-VIFPVBQESA-N 0 1 206.289 2.097 20 0 BEADMN CCCN(CC(C)C)[C@H](C)c1nncn1C ZINC000411204930 191171477 /nfs/dbraw/zinc/17/14/77/191171477.db2.gz YUWNSXYTFCUOAX-LLVKDONJSA-N 0 1 224.352 2.244 20 0 BEADMN CCN(Cc1cc(F)ccc1OC)[C@@H](C)CO ZINC000293529133 352353517 /nfs/dbraw/zinc/35/35/17/352353517.db2.gz WVDHKHHVLKZCPU-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CC1(C)CN(Cc2nccc(N)n2)[C@H]2CCC[C@H]21 ZINC000292943720 352334187 /nfs/dbraw/zinc/33/41/87/352334187.db2.gz DLDAKMYJTZZTOP-MNOVXSKESA-N 0 1 246.358 2.069 20 0 BEADMN c1c[nH]c([C@@H]2CCCN2CCc2ccccn2)n1 ZINC000411433707 191185600 /nfs/dbraw/zinc/18/56/00/191185600.db2.gz USJCFMLTIOUNPP-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN CC[C@@H]1CCC[C@@H]1C(=O)NCc1cn[nH]c1C ZINC000294205027 352372029 /nfs/dbraw/zinc/37/20/29/352372029.db2.gz CBAFULACINIJGU-PWSUYJOCSA-N 0 1 235.331 2.161 20 0 BEADMN CNc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000638560943 352386592 /nfs/dbraw/zinc/38/65/92/352386592.db2.gz OVVOGJSDNRFSLE-ZDUSSCGKSA-N 0 1 247.342 2.151 20 0 BEADMN CC[C@@H](NCc1ccc(C)o1)[C@@H](O)C(F)F ZINC000295075905 352396405 /nfs/dbraw/zinc/39/64/05/352396405.db2.gz PSCSMHRZESYROU-NXEZZACHSA-N 0 1 233.258 2.082 20 0 BEADMN CC[C@@H](NCc1ccccc1F)[C@@H](O)C(F)F ZINC000295113538 352397511 /nfs/dbraw/zinc/39/75/11/352397511.db2.gz VIUIQDJTFQCOFF-GHMZBOCLSA-N 0 1 247.260 2.320 20 0 BEADMN C[C@H](O)CCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000411417764 191184090 /nfs/dbraw/zinc/18/40/90/191184090.db2.gz FBIKZFNNTLQRLE-VNHYZAJKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@]1(C)CN(CCc2cncs2)CCO1 ZINC000411608187 191196382 /nfs/dbraw/zinc/19/63/82/191196382.db2.gz DUUNBLFCDPWGJN-LBPRGKRZSA-N 0 1 240.372 2.187 20 0 BEADMN CO[C@@H]1C[N@@H+](CCc2cncs2)CC[C@H]1C ZINC000411601380 191197610 /nfs/dbraw/zinc/19/76/10/191197610.db2.gz AEPQNSFDKZXEHS-ZYHUDNBSSA-N 0 1 240.372 2.042 20 0 BEADMN CO[C@H]1C[N@@H+](CCc2cncs2)CC[C@H]1C ZINC000411601379 191197690 /nfs/dbraw/zinc/19/76/90/191197690.db2.gz AEPQNSFDKZXEHS-PWSUYJOCSA-N 0 1 240.372 2.042 20 0 BEADMN CC[C@@H](C)[C@H](O)CNCc1nc2ccccc2o1 ZINC000638581553 352411810 /nfs/dbraw/zinc/41/18/10/352411810.db2.gz QGGCIBJOWFCTJF-ZYHUDNBSSA-N 0 1 248.326 2.324 20 0 BEADMN CC[C@@H](c1nc(-c2ccncc2)no1)N(C)C ZINC000295772252 352424116 /nfs/dbraw/zinc/42/41/16/352424116.db2.gz BTTSKAAGSNSIPV-JTQLQIEISA-N 0 1 232.287 2.144 20 0 BEADMN CCCN(CC[C@H](C)F)[C@@H](C)C(=O)OCC ZINC000411650484 191204598 /nfs/dbraw/zinc/20/45/98/191204598.db2.gz RKFUPEZTOCLQOO-QWRGUYRKSA-N 0 1 233.327 2.398 20 0 BEADMN COC(=O)[C@H](NC1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000411724115 191206586 /nfs/dbraw/zinc/20/65/86/191206586.db2.gz TZVFFSAHBIKDAC-OUJBWJOFSA-N 0 1 239.359 2.352 20 0 BEADMN C[C@H](CNCc1cc(C2CC2)no1)[N@@H+](C)C1CC1 ZINC000638574375 352404660 /nfs/dbraw/zinc/40/46/60/352404660.db2.gz DCKFOEDINWAQHP-SNVBAGLBSA-N 0 1 249.358 2.124 20 0 BEADMN CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cnc[nH]2)C1(C)C ZINC000607948771 352454721 /nfs/dbraw/zinc/45/47/21/352454721.db2.gz SFEPOBZCACEQSG-NEPJUHHUSA-N 0 1 247.342 2.264 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CCNCc1ncnn1C ZINC000638616208 352456186 /nfs/dbraw/zinc/45/61/86/352456186.db2.gz OPQOVXRKOZUHKW-VXGBXAGGSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1ccoc1CN(C)[C@@H](C)c1n[nH]c(C)n1 ZINC000411760333 191209546 /nfs/dbraw/zinc/20/95/46/191209546.db2.gz RXSYAMVKCKUATP-VIFPVBQESA-N 0 1 234.303 2.208 20 0 BEADMN COC[C@H]1CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411781796 191210481 /nfs/dbraw/zinc/21/04/81/191210481.db2.gz JKNYFFLCMAIIRE-RDBSUJKOSA-N 0 1 235.302 2.402 20 0 BEADMN Cc1cnc(CN[C@H](C)CCc2cccn2C)o1 ZINC000638627118 352465593 /nfs/dbraw/zinc/46/55/93/352465593.db2.gz OULBUSQAYBJXDK-LLVKDONJSA-N 0 1 247.342 2.432 20 0 BEADMN CC[C@@H](CCO)NCc1nc2ccccc2o1 ZINC000638667444 352509831 /nfs/dbraw/zinc/50/98/31/352509831.db2.gz WKIJHGLMBUGEOD-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN Cc1cccc(C)c1CN1CCO[C@H](CF)C1 ZINC000411853597 191219738 /nfs/dbraw/zinc/21/97/38/191219738.db2.gz LAGZYIAPXMVFKO-CYBMUJFWSA-N 0 1 237.318 2.474 20 0 BEADMN CC[C@H](C)Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000133884251 352643488 /nfs/dbraw/zinc/64/34/88/352643488.db2.gz IJJVDSIHMXGAKR-ZETCQYMHSA-N 0 1 208.261 2.299 20 0 BEADMN CC[C@](C)(CNc1ccc2nn[nH]c2c1)OC ZINC000638762269 352700525 /nfs/dbraw/zinc/70/05/25/352700525.db2.gz UJFOQMRAUYLPIS-GFCCVEGCSA-N 0 1 234.303 2.185 20 0 BEADMN CC[C@](C)(CNc1ccc2n[nH]nc2c1)OC ZINC000638762269 352700527 /nfs/dbraw/zinc/70/05/27/352700527.db2.gz UJFOQMRAUYLPIS-GFCCVEGCSA-N 0 1 234.303 2.185 20 0 BEADMN C[C@@]1(CNCc2nc3ccccc3o2)CCCO1 ZINC000638762876 352701347 /nfs/dbraw/zinc/70/13/47/352701347.db2.gz MDBYRBCIXMBRPA-AWEZNQCLSA-N 0 1 246.310 2.487 20 0 BEADMN C[C@@H](CCCO)NCc1nc2ccccc2o1 ZINC000638766475 352703248 /nfs/dbraw/zinc/70/32/48/352703248.db2.gz YJFRFFIZIAJWJA-JTQLQIEISA-N 0 1 234.299 2.078 20 0 BEADMN C[C@@H]1CC(C)(C)CN1CC(=O)OC(C)(C)C ZINC000412020637 191238311 /nfs/dbraw/zinc/23/83/11/191238311.db2.gz JNPCHEOPSPNDNZ-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@H]1CC(C)(C)CN1CC(=O)OC(C)(C)C ZINC000412020636 191238772 /nfs/dbraw/zinc/23/87/72/191238772.db2.gz JNPCHEOPSPNDNZ-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1cn(C)nn1 ZINC000341571850 352711742 /nfs/dbraw/zinc/71/17/42/352711742.db2.gz ZPZCDIBWVCWDNE-CYBMUJFWSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1cnc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000638745505 352680592 /nfs/dbraw/zinc/68/05/92/352680592.db2.gz XWEVNRYQTYMTOX-TUAOUCFPSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)(C)c1csc(CN[C@@H]2CCOC2)n1 ZINC000087416105 187797690 /nfs/dbraw/zinc/79/76/90/187797690.db2.gz UJWUGRCLBMNJNV-SECBINFHSA-N 0 1 240.372 2.319 20 0 BEADMN Cc1ncc(C(=O)N(C(C)C)C2CCC2)[nH]1 ZINC000334182770 352771379 /nfs/dbraw/zinc/77/13/79/352771379.db2.gz BDBUZGAXJKJJCR-UHFFFAOYSA-N 0 1 221.304 2.121 20 0 BEADMN Cc1ncsc1CCN1CC[C@@](C)(F)C1 ZINC000334215126 352814218 /nfs/dbraw/zinc/81/42/18/352814218.db2.gz FOSXJQYILBFYHQ-LLVKDONJSA-N 0 1 228.336 2.428 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000334192751 352784488 /nfs/dbraw/zinc/78/44/88/352784488.db2.gz KJTZVWDBGLEQGI-GFCCVEGCSA-N 0 1 219.332 2.407 20 0 BEADMN CC1CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000334208461 352804267 /nfs/dbraw/zinc/80/42/67/352804267.db2.gz FFGRUKBKXUUTBR-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000412087171 191254392 /nfs/dbraw/zinc/25/43/92/191254392.db2.gz NWFMWBATNPGCSB-GZBFAFLISA-N 0 1 249.354 2.138 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334237333 352855598 /nfs/dbraw/zinc/85/55/98/352855598.db2.gz RWUCWHPYUDWSPH-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1ccccc1[C@H](C)N1CCO[C@H]([C@H](C)O)C1 ZINC000412087177 191255415 /nfs/dbraw/zinc/25/54/15/191255415.db2.gz NWFMWBATNPGCSB-YDHLFZDLSA-N 0 1 249.354 2.138 20 0 BEADMN C[C@@H]1CN(C(=O)C2(C)CCCC2)[C@H](C)CN1C ZINC000334243960 352832833 /nfs/dbraw/zinc/83/28/33/352832833.db2.gz YXEYJSJPXDQXNU-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN COc1ccc(C)cc1CN1CC2(C1)CCOC2 ZINC000334246956 352838016 /nfs/dbraw/zinc/83/80/16/352838016.db2.gz ULPIQKZYVIIAIJ-UHFFFAOYSA-N 0 1 247.338 2.226 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1nnc(C)o1 ZINC000334249532 352842528 /nfs/dbraw/zinc/84/25/28/352842528.db2.gz ZFQFRDZLBIKIPN-WPRPVWTQSA-N 0 1 209.293 2.141 20 0 BEADMN CC(C)(C)C[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000334269106 352905745 /nfs/dbraw/zinc/90/57/45/352905745.db2.gz QFPGZRGDSBKSAJ-SNVBAGLBSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1cnc(CN2CCC(C)CC2)cn1 ZINC000334275496 352912197 /nfs/dbraw/zinc/91/21/97/352912197.db2.gz CBANHUSXPCGTKF-UHFFFAOYSA-N 0 1 205.305 2.017 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1cc(C(N)=O)cs1 ZINC000342860948 352879123 /nfs/dbraw/zinc/87/91/23/352879123.db2.gz KQWZFTDFHADJOF-NSHDSACASA-N 0 1 238.356 2.077 20 0 BEADMN C[C@H]1COCCN(Cc2cccc(F)c2)C1 ZINC000334262958 352896200 /nfs/dbraw/zinc/89/62/00/352896200.db2.gz JFKUNCDRJJESAI-LLVKDONJSA-N 0 1 223.291 2.294 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCC12CCCCC2 ZINC000334263855 352898092 /nfs/dbraw/zinc/89/80/92/352898092.db2.gz KGAZNOZTTVPPKX-UHFFFAOYSA-N 0 1 233.315 2.349 20 0 BEADMN CC1=CCN(CC(=O)N2CCCCCC2)CC1 ZINC000334265562 352900866 /nfs/dbraw/zinc/90/08/66/352900866.db2.gz MSQISXPVTRVYCB-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C(C)C)s1 ZINC000334267802 352903406 /nfs/dbraw/zinc/90/34/06/352903406.db2.gz ZZVKGQJYJLKJQA-SNVBAGLBSA-N 0 1 225.361 2.467 20 0 BEADMN C[C@]1(NCc2nc3ccccc3o2)CCOC1 ZINC000638806404 352981519 /nfs/dbraw/zinc/98/15/19/352981519.db2.gz PWAYADMVIWPEHL-ZDUSSCGKSA-N 0 1 232.283 2.096 20 0 BEADMN Cc1nnc(CN2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000334315598 352946687 /nfs/dbraw/zinc/94/66/87/352946687.db2.gz NWBLXZUHQUVMNJ-GWCFXTLKSA-N 0 1 235.331 2.390 20 0 BEADMN c1nc2n(n1)CCC[C@H]2N[C@@H]1CCC12CCC2 ZINC000334327654 352963935 /nfs/dbraw/zinc/96/39/35/352963935.db2.gz HMXJVMZPJFIYHI-GHMZBOCLSA-N 0 1 232.331 2.035 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N(C)[C@@H](C)C1CC1 ZINC000638853077 353024464 /nfs/dbraw/zinc/02/44/64/353024464.db2.gz JABDXBJOTHQIKA-SMDDNHRTSA-N 0 1 246.354 2.252 20 0 BEADMN COC[C@H](C)CN[C@H]1CCCC1(F)F ZINC000379570943 538107306 /nfs/dbraw/zinc/10/73/06/538107306.db2.gz HDKJLBFVYQFPSF-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)on1 ZINC000334425274 353103868 /nfs/dbraw/zinc/10/38/68/353103868.db2.gz UJSCGFWTUGYHEF-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1cc(CN2CCC[C@H](n3cccn3)C2)on1 ZINC000334425274 353103870 /nfs/dbraw/zinc/10/38/70/353103870.db2.gz UJSCGFWTUGYHEF-LBPRGKRZSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)on1 ZINC000334425272 353104007 /nfs/dbraw/zinc/10/40/07/353104007.db2.gz UJSCGFWTUGYHEF-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN Cc1cc(CN2CCC[C@@H](n3cccn3)C2)on1 ZINC000334425272 353104009 /nfs/dbraw/zinc/10/40/09/353104009.db2.gz UJSCGFWTUGYHEF-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1ncc[nH]1 ZINC000428245955 538107855 /nfs/dbraw/zinc/10/78/55/538107855.db2.gz KUFPHUCVOLDYPO-WCQYABFASA-N 0 1 239.363 2.248 20 0 BEADMN C[C@@]1(NCc2nc3ccccc3o2)CCCOC1 ZINC000638920495 353078691 /nfs/dbraw/zinc/07/86/91/353078691.db2.gz FPWAQESNYKMAIH-CQSZACIVSA-N 0 1 246.310 2.487 20 0 BEADMN C[C@]1(NCc2nc3ccccc3o2)CCCOC1 ZINC000638920494 353078939 /nfs/dbraw/zinc/07/89/39/353078939.db2.gz FPWAQESNYKMAIH-AWEZNQCLSA-N 0 1 246.310 2.487 20 0 BEADMN COC1(CN[C@H](C)c2ncc[nH]2)CCCCC1 ZINC000319814689 538108084 /nfs/dbraw/zinc/10/80/84/538108084.db2.gz HSEWGLUWSJAUPD-LLVKDONJSA-N 0 1 237.347 2.410 20 0 BEADMN COc1cc(C)c(CN2CC(C)C2)c(C)n1 ZINC000334413564 353095623 /nfs/dbraw/zinc/09/56/23/353095623.db2.gz MDPKAYNLWMVBKG-UHFFFAOYSA-N 0 1 220.316 2.159 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccncc2Cl)CO1 ZINC000402263763 353159009 /nfs/dbraw/zinc/15/90/09/353159009.db2.gz CEXQIAUGAJGGQO-SCZZXKLOSA-N 0 1 226.707 2.002 20 0 BEADMN CC(C)[C@@H]1CC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000353049868 188059793 /nfs/dbraw/zinc/05/97/93/188059793.db2.gz JGCHNUQWKAFUQP-ZFWWWQNUSA-N 0 1 249.354 2.157 20 0 BEADMN Cc1ccc(C)c(C[N@H+](C)C2CC(O)C2)c1 ZINC000353487187 188060855 /nfs/dbraw/zinc/06/08/55/188060855.db2.gz CUMMOUKGDJJGOC-UHFFFAOYSA-N 0 1 219.328 2.259 20 0 BEADMN COc1ccc(CN2CC[C@@H](OC)C2)cc1F ZINC000353862604 188061808 /nfs/dbraw/zinc/06/18/08/188061808.db2.gz DGTQINAESFEFAP-LLVKDONJSA-N 0 1 239.290 2.055 20 0 BEADMN Cc1ccncc1CN(C)CC1=CCCOC1 ZINC000355609445 188063846 /nfs/dbraw/zinc/06/38/46/188063846.db2.gz RMKXZNZIDYWAFN-UHFFFAOYSA-N 0 1 232.327 2.169 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000360945185 188070255 /nfs/dbraw/zinc/07/02/55/188070255.db2.gz QMRHIEABHJUCNC-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN c1ncc(CN2[C@H]3C=CC[C@@H]2CC3)s1 ZINC000367535848 188073107 /nfs/dbraw/zinc/07/31/07/188073107.db2.gz MMICTIOCDNLTHT-VHSXEESVSA-N 0 1 206.314 2.436 20 0 BEADMN CC(C)c1ncc(CN2CCC[C@@H](O)C2)s1 ZINC000127980194 188085850 /nfs/dbraw/zinc/08/58/50/188085850.db2.gz XLFDTFOQWARYCR-SNVBAGLBSA-N 0 1 240.372 2.223 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cccc(Cl)n1 ZINC000285755681 188096177 /nfs/dbraw/zinc/09/61/77/188096177.db2.gz RDCNFRHENOSJHY-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccncc2)C1 ZINC000295293844 188096777 /nfs/dbraw/zinc/09/67/77/188096777.db2.gz UMGJSBNGGIAVJP-CYBMUJFWSA-N 0 1 234.343 2.065 20 0 BEADMN C[C@@H](O)C[C@H](C)NCc1nc2ccccc2o1 ZINC000638981878 353196147 /nfs/dbraw/zinc/19/61/47/353196147.db2.gz XZRQMEMIMPMVRW-VHSXEESVSA-N 0 1 234.299 2.077 20 0 BEADMN Cc1nnc(CN2CCC[C@H]2C(C)(C)C)n1C ZINC000334154947 188110840 /nfs/dbraw/zinc/11/08/40/188110840.db2.gz SYJBTFHSSTVGLF-NSHDSACASA-N 0 1 236.363 2.134 20 0 BEADMN O=C([O-])C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000077385305 188117401 /nfs/dbraw/zinc/11/74/01/188117401.db2.gz JIHUFRFPDRWYPK-SNVBAGLBSA-N 0 1 239.702 2.214 20 0 BEADMN CCc1ccc(CNCc2cc(C)[nH]n2)o1 ZINC000309648267 538111013 /nfs/dbraw/zinc/11/10/13/538111013.db2.gz NCOPHKFJYXXSIY-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN CCCC[C@H](COC)N[C@H](C)c1ncc[nH]1 ZINC000285893175 538110511 /nfs/dbraw/zinc/11/05/11/538110511.db2.gz CIYPXGRSEXPGKG-GHMZBOCLSA-N 0 1 225.336 2.266 20 0 BEADMN CC(=O)Nc1ccccc1CN[C@@H](C)CF ZINC000309751001 188150855 /nfs/dbraw/zinc/15/08/55/188150855.db2.gz KNTLDFQIUITYJX-VIFPVBQESA-N 0 1 224.279 2.093 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124128685 188154460 /nfs/dbraw/zinc/15/44/60/188154460.db2.gz GVCRIVWXMLOGTA-GXTWGEPZSA-N 0 1 247.338 2.113 20 0 BEADMN CC(C)C[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000152011872 188156482 /nfs/dbraw/zinc/15/64/82/188156482.db2.gz JFUAWYYPEXYFCE-LLVKDONJSA-N 0 1 235.331 2.308 20 0 BEADMN Cc1cc(CC(=O)NC[C@H]2CCCC[C@H]2C)[nH]n1 ZINC000176060646 188163973 /nfs/dbraw/zinc/16/39/73/188163973.db2.gz HVBQPMUTFCKPSQ-ZYHUDNBSSA-N 0 1 249.358 2.203 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccccc1F ZINC000182005047 188168677 /nfs/dbraw/zinc/16/86/77/188168677.db2.gz GMKDMLZTFCBUPO-JTQLQIEISA-N 0 1 211.280 2.292 20 0 BEADMN CC(C)[C@@H](N)c1noc(-c2ccsc2)n1 ZINC000041052646 188150098 /nfs/dbraw/zinc/15/00/98/188150098.db2.gz LKUIKBVRFUVSJY-MRVPVSSYSA-N 0 1 223.301 2.454 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000262222365 188193769 /nfs/dbraw/zinc/19/37/69/188193769.db2.gz KPFVVKRNMXFUBQ-NQBHXWOUSA-N 0 1 233.311 2.338 20 0 BEADMN Cc1ncc(C(=O)N(C)C2CCC(C)CC2)[nH]1 ZINC000264644263 188194639 /nfs/dbraw/zinc/19/46/39/188194639.db2.gz RDSHDPLDGUGDDF-UHFFFAOYSA-N 0 1 235.331 2.369 20 0 BEADMN CC(C)N(C(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000335105063 188180804 /nfs/dbraw/zinc/18/08/04/188180804.db2.gz UEFWFLICHDRRSF-CYBMUJFWSA-N 0 1 238.375 2.260 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000354082122 188181718 /nfs/dbraw/zinc/18/17/18/188181718.db2.gz GRIDMVLTJQIZQF-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)N(Cc1cnns1)C1CCC1 ZINC000336685679 188183131 /nfs/dbraw/zinc/18/31/31/188183131.db2.gz KSYASHZUTQSFGG-UHFFFAOYSA-N 0 1 211.334 2.301 20 0 BEADMN C[C@@H]1CC(CCNCc2cocn2)C[C@@H](C)O1 ZINC000338473047 188189709 /nfs/dbraw/zinc/18/97/09/188189709.db2.gz HZHRJJBWPVUQMN-GHMZBOCLSA-N 0 1 238.331 2.358 20 0 BEADMN CC(C)[C@H](C)Cc1nc(C2(N)CCC2)no1 ZINC000339389618 188191001 /nfs/dbraw/zinc/19/10/01/188191001.db2.gz HPFXJZQQCOLDJO-SECBINFHSA-N 0 1 223.320 2.242 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1csc(Cl)n1 ZINC000295049021 188214211 /nfs/dbraw/zinc/21/42/11/188214211.db2.gz UFRJQINLGBLDBI-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN Cn1cnc2cc(CNCc3ccoc3)ccc21 ZINC000341206623 188217749 /nfs/dbraw/zinc/21/77/49/188217749.db2.gz WVBBHRPVTSMHNZ-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000274944915 188201213 /nfs/dbraw/zinc/20/12/13/188201213.db2.gz NVDCILFYVJWFSS-SRVKXCTJSA-N 0 1 247.342 2.195 20 0 BEADMN CC1(C)C[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000276648764 188203320 /nfs/dbraw/zinc/20/33/20/188203320.db2.gz XMASBODMQYIXBI-LLVKDONJSA-N 0 1 247.342 2.207 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2cncs2)C1 ZINC000280588345 188205159 /nfs/dbraw/zinc/20/51/59/188205159.db2.gz MZCWJTBQHBAJBM-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN CO[C@]1(C)CCCN(Cc2cncs2)C1 ZINC000280588345 188205160 /nfs/dbraw/zinc/20/51/60/188205160.db2.gz MZCWJTBQHBAJBM-LLVKDONJSA-N 0 1 226.345 2.144 20 0 BEADMN CC[N@H+]1CCN(c2ccnc(C(C)C)n2)[C@H](C)C1 ZINC000343261484 353265347 /nfs/dbraw/zinc/26/53/47/353265347.db2.gz GBOOJCZBIUVAMS-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN CCN1CCN(c2ccnc(C(C)C)n2)[C@H](C)C1 ZINC000343261484 353265348 /nfs/dbraw/zinc/26/53/48/353265348.db2.gz GBOOJCZBIUVAMS-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN Cc1nccc(N(C)[C@@H]2CCOC2)c1Cl ZINC000336389579 188229190 /nfs/dbraw/zinc/22/91/90/188229190.db2.gz XMFKCKNLHPZSJK-SECBINFHSA-N 0 1 226.707 2.269 20 0 BEADMN CC(=O)Nc1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000336222729 188228021 /nfs/dbraw/zinc/22/80/21/188228021.db2.gz FZKIYELEOZRORN-GFCCVEGCSA-N 0 1 236.290 2.189 20 0 BEADMN c1nn[n-]c1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000398301000 363214624 /nfs/dbraw/zinc/21/46/24/363214624.db2.gz RDHMEEHJVYGXMT-LBPRGKRZSA-N 0 1 234.347 2.397 20 0 BEADMN CCCc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)n[nH]1 ZINC000135241184 538115076 /nfs/dbraw/zinc/11/50/76/538115076.db2.gz HMDUKMLAWWJOEY-AOOOYVTPSA-N 0 1 235.331 2.375 20 0 BEADMN Cc1cnc(CNCCC[C@@H]2CCCCO2)o1 ZINC000639047719 353339184 /nfs/dbraw/zinc/33/91/84/353339184.db2.gz PWBGIZBHZODKBH-LBPRGKRZSA-N 0 1 238.331 2.422 20 0 BEADMN Cn1ncnc1CNCCC1=CCCCCC1 ZINC000639051692 353351156 /nfs/dbraw/zinc/35/11/56/353351156.db2.gz VKFGRVGOZSXYRI-UHFFFAOYSA-N 0 1 234.347 2.185 20 0 BEADMN CCC[C@@H](CN[C@@H](CCO)c1ccco1)OC ZINC000639052553 353353315 /nfs/dbraw/zinc/35/33/15/353353315.db2.gz JEIUZZLYAIGPFW-RYUDHWBXSA-N 0 1 241.331 2.108 20 0 BEADMN Cc1ccnc(CN2C[C@H](C)C[C@@H]2C)n1 ZINC000334508553 353384786 /nfs/dbraw/zinc/38/47/86/353384786.db2.gz QDQZETAYSDZPDN-KOLCDFICSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1csc([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)n1 ZINC000226602321 538117061 /nfs/dbraw/zinc/11/70/61/538117061.db2.gz SUGIKJOOABDKLU-LPEHRKFASA-N 0 1 240.372 2.262 20 0 BEADMN C[C@@H](CCNCc1ncnn1C)CC(C)(C)C ZINC000639089273 353448441 /nfs/dbraw/zinc/44/84/41/353448441.db2.gz FHCVRQNGCVURIH-NSHDSACASA-N 0 1 238.379 2.367 20 0 BEADMN Cc1ccc(CCN[C@H](C)c2ncnn2C)cc1 ZINC000639096463 353486152 /nfs/dbraw/zinc/48/61/52/353486152.db2.gz FFHKDNRZWSYECO-GFCCVEGCSA-N 0 1 244.342 2.017 20 0 BEADMN CCn1ccnc1CN1CCCCCC1 ZINC000195513685 324144083 /nfs/dbraw/zinc/14/40/83/324144083.db2.gz UQKMSZQCUGCNEK-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000354024269 188418145 /nfs/dbraw/zinc/41/81/45/188418145.db2.gz MOKMWBRXUTXNQJ-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN FC1(F)CC(NCc2ccns2)C1 ZINC000639103294 353577900 /nfs/dbraw/zinc/57/79/00/353577900.db2.gz KDWMIGRZAAJBRF-UHFFFAOYSA-N 0 1 204.245 2.030 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC1CCC(C)CC1 ZINC000083825871 353578409 /nfs/dbraw/zinc/57/84/09/353578409.db2.gz SCJOPRHTCQJZJP-YVNMAJEFSA-N 0 1 213.321 2.218 20 0 BEADMN CCCC(C)(C)NC(=O)CCc1cnc[nH]1 ZINC000193017035 353572031 /nfs/dbraw/zinc/57/20/31/353572031.db2.gz FIDKXDHOGIDGJX-UHFFFAOYSA-N 0 1 223.320 2.037 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000613439726 363238488 /nfs/dbraw/zinc/23/84/88/363238488.db2.gz CPXQYZCPBMKDER-URLYPYJESA-N 0 1 245.326 2.132 20 0 BEADMN CO[C@@H](C)CN[C@H](C)c1cn2ccccc2n1 ZINC000577874708 366094437 /nfs/dbraw/zinc/09/44/37/366094437.db2.gz UEKVKSVPPXLKLB-WDEREUQCSA-N 0 1 233.315 2.020 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H]1c1cccc(F)c1 ZINC000608215422 353636701 /nfs/dbraw/zinc/63/67/01/353636701.db2.gz YUURZSMEACTVOH-LBPRGKRZSA-N 0 1 245.257 2.136 20 0 BEADMN CCC(CC)(CC)C[NH2+]Cc1cnn[n-]1 ZINC000398463387 363246847 /nfs/dbraw/zinc/24/68/47/363246847.db2.gz SSARSHYMKREDQO-UHFFFAOYSA-N 0 1 210.325 2.111 20 0 BEADMN Fc1cccc(F)c1CN[C@H]1CCCOC1 ZINC000071010951 181000057 /nfs/dbraw/zinc/00/00/57/181000057.db2.gz UDJCALJNZHIDLA-VIFPVBQESA-N 0 1 227.254 2.233 20 0 BEADMN Fc1cccc(Cl)c1[C@@H]1CNCCO1 ZINC000011803056 181000747 /nfs/dbraw/zinc/00/07/47/181000747.db2.gz LIZOQKDCEHOOFQ-VIFPVBQESA-N 0 1 215.655 2.140 20 0 BEADMN C[C@H](C[C@@H]1CCCC(=O)N1)NC(C)(C)C(F)F ZINC000639118643 353751794 /nfs/dbraw/zinc/75/17/94/353751794.db2.gz DHRAATBRJDJLMG-BDAKNGLRSA-N 0 1 248.317 2.067 20 0 BEADMN C[C@@H](C[C@@H]1CCCC(=O)N1)NC(C)(C)C(F)F ZINC000639118645 353752111 /nfs/dbraw/zinc/75/21/11/353752111.db2.gz DHRAATBRJDJLMG-IUCAKERBSA-N 0 1 248.317 2.067 20 0 BEADMN CC(C)C1CN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639119310 353755364 /nfs/dbraw/zinc/75/53/64/353755364.db2.gz XLXKAQLLPUOYMM-UHFFFAOYSA-N 0 1 247.386 2.387 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1C2CCC1CC2 ZINC000642319188 363259554 /nfs/dbraw/zinc/25/95/54/363259554.db2.gz FSCNNASTMBVLPA-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN Fc1ccccc1Cc1nc([C@H]2CCCN2)no1 ZINC000071396619 181014216 /nfs/dbraw/zinc/01/42/16/181014216.db2.gz KDWAFBBCZACUHV-LLVKDONJSA-N 0 1 247.273 2.224 20 0 BEADMN CCc1ccc(CN(C)Cc2n[nH]c(C)n2)cc1 ZINC000353814488 353767298 /nfs/dbraw/zinc/76/72/98/353767298.db2.gz IUXHSCOIZOBQOB-UHFFFAOYSA-N 0 1 244.342 2.308 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@@H](c1nccn1C)C1CC1 ZINC000639120161 353767321 /nfs/dbraw/zinc/76/73/21/353767321.db2.gz GANADAMYMKXWAS-CKYFFXLPSA-N 0 1 219.332 2.354 20 0 BEADMN CCC[C@@H](C)[N@@H+](C)CC1(CC(=O)[O-])CC1 ZINC000083854704 353799706 /nfs/dbraw/zinc/79/97/06/353799706.db2.gz NSGJNTMEHSIGBA-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCC(C)(C)CC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000343356715 353871693 /nfs/dbraw/zinc/87/16/93/353871693.db2.gz YIDZPQKYDCJCHF-MRVPVSSYSA-N 0 1 238.335 2.117 20 0 BEADMN CC(C)(C)CCN1CC[S@](=O)CC1(C)C ZINC000334521338 353886284 /nfs/dbraw/zinc/88/62/84/353886284.db2.gz JCIIUUWSFJEFJF-HNNXBMFYSA-N 0 1 231.405 2.266 20 0 BEADMN CCCn1c(C)nnc1CN1CCC[C@H]1CC ZINC000343451689 353893192 /nfs/dbraw/zinc/89/31/92/353893192.db2.gz QYOVVZDHZHSPRW-GFCCVEGCSA-N 0 1 236.363 2.371 20 0 BEADMN CC[C@@H]1CN(Cc2ccns2)CCCO1 ZINC000639136468 353845674 /nfs/dbraw/zinc/84/56/74/353845674.db2.gz QXKMHKHKIRDRRD-SNVBAGLBSA-N 0 1 226.345 2.144 20 0 BEADMN C[C@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 ZINC000334530338 353907815 /nfs/dbraw/zinc/90/78/15/353907815.db2.gz DDCZRVGAFAGMIQ-JTQLQIEISA-N 0 1 236.290 2.106 20 0 BEADMN CC(=O)c1ccc(N[C@@H]2CCCN(C)[C@@H]2C)nc1 ZINC000343500912 353914741 /nfs/dbraw/zinc/91/47/41/353914741.db2.gz FTZJINYGFVQDCP-ZWNOBZJWSA-N 0 1 247.342 2.179 20 0 BEADMN CCC1CCN([C@H](C)c2n[nH]c(C)n2)CC1 ZINC000334553652 353996914 /nfs/dbraw/zinc/99/69/14/353996914.db2.gz ACSVCYBYDGVPDD-SECBINFHSA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)c1ccn[nH]1 ZINC000334547356 353985370 /nfs/dbraw/zinc/98/53/70/353985370.db2.gz GYXBEFKJJCVALI-CYBMUJFWSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@H]1COC(C)(C)C[N@H+]1CCc1cncs1 ZINC000334547606 353985642 /nfs/dbraw/zinc/98/56/42/353985642.db2.gz GYAMDCUTSHXLSN-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCc1cncs1 ZINC000334547606 353985646 /nfs/dbraw/zinc/98/56/46/353985646.db2.gz GYAMDCUTSHXLSN-JTQLQIEISA-N 0 1 240.372 2.185 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1nc2ccccc2o1 ZINC000334552034 353992120 /nfs/dbraw/zinc/99/21/20/353992120.db2.gz ISPSBDLYJSXMEV-HZMBPMFUSA-N 0 1 246.310 2.485 20 0 BEADMN CCCN(CC)[C@H](C)c1nnc(CC)o1 ZINC000343654550 353954992 /nfs/dbraw/zinc/95/49/92/353954992.db2.gz WCEJQOAXGXDKSX-SECBINFHSA-N 0 1 211.309 2.425 20 0 BEADMN Cc1nnc([C@H](C)N2CCC[C@@H](C)CC2)[nH]1 ZINC000334556055 354001768 /nfs/dbraw/zinc/00/17/68/354001768.db2.gz KGBACSRVRRCWHB-ZJUUUORDSA-N 0 1 222.336 2.296 20 0 BEADMN c1nc(C2CC2)ncc1CN1CCCCC1 ZINC000334557569 354004567 /nfs/dbraw/zinc/00/45/67/354004567.db2.gz FJOFUIQTBNSTHP-UHFFFAOYSA-N 0 1 217.316 2.340 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@H](C2CC2)C1 ZINC000344015642 354077869 /nfs/dbraw/zinc/07/78/69/354077869.db2.gz LPHYMHOXRYTUER-NSHDSACASA-N 0 1 249.310 2.298 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344059598 354128546 /nfs/dbraw/zinc/12/85/46/354128546.db2.gz LOYOHGRNMUULAL-ZYHUDNBSSA-N 0 1 225.332 2.060 20 0 BEADMN CN(CC(=O)c1cccn1C)C[C@@H]1CC=CCC1 ZINC000344033304 354096915 /nfs/dbraw/zinc/09/69/15/354096915.db2.gz FPWLHKHGYMJOLM-CYBMUJFWSA-N 0 1 246.354 2.496 20 0 BEADMN CCN(CC(=O)N1C[C@H](C)CC1(C)C)C1CC1 ZINC000344010108 354115935 /nfs/dbraw/zinc/11/59/35/354115935.db2.gz FHUWUZPGAIIGGG-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CN([C@H](C)c2n[nH]c(C)n2)CCS1 ZINC000334561743 354116501 /nfs/dbraw/zinc/11/65/01/354116501.db2.gz FAKRYPYEWZUXOZ-PSASIEDQSA-N 0 1 240.376 2.002 20 0 BEADMN CCc1nc(S[C@@H]2CCC(C)(C)C2=O)n[nH]1 ZINC000334577284 354119544 /nfs/dbraw/zinc/11/95/44/354119544.db2.gz MHENRKPAHNUKSH-SSDOTTSWSA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@@H]2CCC(C)(C)C2=O)n1 ZINC000334577284 354119547 /nfs/dbraw/zinc/11/95/47/354119547.db2.gz MHENRKPAHNUKSH-SSDOTTSWSA-N 0 1 239.344 2.217 20 0 BEADMN CC(C)(C)OC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344121762 354144639 /nfs/dbraw/zinc/14/46/39/354144639.db2.gz VCDOIEYQWNDHRE-GFCCVEGCSA-N 0 1 239.359 2.450 20 0 BEADMN CC[C@]1(C)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000344220403 354181705 /nfs/dbraw/zinc/18/17/05/354181705.db2.gz QNBKKOWIPSBPCL-CQSZACIVSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344221240 354182142 /nfs/dbraw/zinc/18/21/42/354182142.db2.gz SCFIOQVTKIZCNX-GFCCVEGCSA-N 0 1 240.391 2.127 20 0 BEADMN CO[C@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000231678300 363347444 /nfs/dbraw/zinc/34/74/44/363347444.db2.gz OTLNTUORHRGZDH-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN CO[C@@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000231678298 363347838 /nfs/dbraw/zinc/34/78/38/363347838.db2.gz OTLNTUORHRGZDH-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN CCc1ccc(CN2CCOC[C@@H](C)C2)cn1 ZINC000334586240 354210505 /nfs/dbraw/zinc/21/05/05/354210505.db2.gz YCNNLAINXBKXDN-LBPRGKRZSA-N 0 1 234.343 2.112 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C2=CCCC2)[C@@H](C)C1 ZINC000344409700 354251356 /nfs/dbraw/zinc/25/13/56/354251356.db2.gz BPYIUGSLZCSNRR-RYUDHWBXSA-N 0 1 236.359 2.038 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000344421591 354253187 /nfs/dbraw/zinc/25/31/87/354253187.db2.gz KYFPCXFMNNRAJS-AVGNSLFASA-N 0 1 240.391 2.220 20 0 BEADMN Cc1noc(C2CC2)c1NC(=O)c1cn[nH]c1C ZINC000344397240 354260223 /nfs/dbraw/zinc/26/02/23/354260223.db2.gz XWZNZVWUEJYPRV-UHFFFAOYSA-N 0 1 246.270 2.144 20 0 BEADMN OCC[C@H](NCc1cncs1)c1ccccc1 ZINC000344452001 354261360 /nfs/dbraw/zinc/26/13/60/354261360.db2.gz BBLNTCUYUCBMAA-ZDUSSCGKSA-N 0 1 248.351 2.356 20 0 BEADMN CC[C@H](OC)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344482301 354269634 /nfs/dbraw/zinc/26/96/34/354269634.db2.gz QVTSESGINIOOTP-NSHDSACASA-N 0 1 247.298 2.235 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC(C)(C)C)[C@H](C)C1 ZINC000344436785 354272414 /nfs/dbraw/zinc/27/24/14/354272414.db2.gz WLFVXCZADNDJHD-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)(CNCc1ncc[nH]1)Oc1ccccc1 ZINC000344437309 354272858 /nfs/dbraw/zinc/27/28/58/354272858.db2.gz GMIAWUYGCPDMJF-UHFFFAOYSA-N 0 1 245.326 2.357 20 0 BEADMN CN1CCN(C(=O)C2=CCCCC2)CC1(C)C ZINC000577961695 366146394 /nfs/dbraw/zinc/14/63/94/366146394.db2.gz ARSBPYUJHWINFS-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN Cc1nc(C)c(CNCc2cnc(C)nc2)s1 ZINC000344603974 354324206 /nfs/dbraw/zinc/32/42/06/354324206.db2.gz KYZDYBNKLCRBJI-UHFFFAOYSA-N 0 1 248.355 2.148 20 0 BEADMN Cc1ncc([C@@H](C)N[C@H](C)CF)c(C)n1 ZINC000639182771 354338474 /nfs/dbraw/zinc/33/84/74/354338474.db2.gz LLSNHNJZDUHVPC-HTQZYQBOSA-N 0 1 211.284 2.102 20 0 BEADMN C[C@H](CF)N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639182945 354340103 /nfs/dbraw/zinc/34/01/03/354340103.db2.gz NEHSKYUDDPOYJI-MWLCHTKSSA-N 0 1 240.326 2.374 20 0 BEADMN FC1(F)CC[C@@H](CN2CCOCC23CC3)C1 ZINC000334624475 354364152 /nfs/dbraw/zinc/36/41/52/354364152.db2.gz UFGHARFILLTBFX-SNVBAGLBSA-N 0 1 231.286 2.287 20 0 BEADMN FC[C@@H]1CN(Cc2ccc(F)cc2)CCCO1 ZINC000334645764 354434978 /nfs/dbraw/zinc/43/49/78/354434978.db2.gz KGTWDNOCYUTNOP-CYBMUJFWSA-N 0 1 241.281 2.386 20 0 BEADMN C(=C/c1ccncc1)\CN1CCOCC2(CC2)C1 ZINC000334642477 354398789 /nfs/dbraw/zinc/39/87/89/354398789.db2.gz VWUXELPZZATGBR-OWOJBTEDSA-N 0 1 244.338 2.207 20 0 BEADMN O=C(c1cccc2n[nH]cc21)N1CC[C@H]1C1CC1 ZINC000334667996 354407412 /nfs/dbraw/zinc/40/74/12/354407412.db2.gz ZZEKJZMOCOHBGM-ZDUSSCGKSA-N 0 1 241.294 2.187 20 0 BEADMN Cc1c[nH]nc1CN1CCSC[C@H]1C1CC1 ZINC000334679641 354425126 /nfs/dbraw/zinc/42/51/26/354425126.db2.gz SJAYGPQUIVUVKT-LBPRGKRZSA-N 0 1 237.372 2.046 20 0 BEADMN CO[C@]1(C)CCCN(Cc2ccncc2F)C1 ZINC000334679400 354425242 /nfs/dbraw/zinc/42/52/42/354425242.db2.gz YOBWOOZELIALNL-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN Cc1nccc(CN2CCSC[C@H]2C2CC2)n1 ZINC000334679820 354425799 /nfs/dbraw/zinc/42/57/99/354425799.db2.gz ULMJVJXXANSLDD-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN CC1(CO)CN(Cc2ccc3c(c2)CCCC3)C1 ZINC000334648729 354440105 /nfs/dbraw/zinc/44/01/05/354440105.db2.gz YJTCAIKKLSVFNM-UHFFFAOYSA-N 0 1 245.366 2.380 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1n[nH]c(C(C)(C)C)n1 ZINC000334659321 354455971 /nfs/dbraw/zinc/45/59/71/354455971.db2.gz ITTQXKSVXKWUQS-IUCAKERBSA-N 0 1 222.336 2.085 20 0 BEADMN Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000179188454 366220451 /nfs/dbraw/zinc/22/04/51/366220451.db2.gz CLDJOOOQTNTDIX-UHFFFAOYSA-N 0 1 247.317 2.463 20 0 BEADMN CCn1ncnc1CN1[C@H](C)CCC1(C)C ZINC000334691829 354480328 /nfs/dbraw/zinc/48/03/28/354480328.db2.gz GJRVNWYXFVCMOG-SNVBAGLBSA-N 0 1 222.336 2.061 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C2=CC[C@@H](C)CC2)n[nH]1 ZINC000334742527 354545889 /nfs/dbraw/zinc/54/58/89/354545889.db2.gz QEAVGBPQMMCFSM-RKDXNWHRSA-N 0 1 248.330 2.037 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC000334738567 354540987 /nfs/dbraw/zinc/54/09/87/354540987.db2.gz OGLCIFGPRGJEQF-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@@H]1CCN(Cc2cncc(F)c2)C[C@H]1C ZINC000334738567 354540990 /nfs/dbraw/zinc/54/09/90/354540990.db2.gz OGLCIFGPRGJEQF-ZWNOBZJWSA-N 0 1 238.306 2.078 20 0 BEADMN O=c1ccc(CN2CCCc3occc3C2)c[nH]1 ZINC000639191052 354487583 /nfs/dbraw/zinc/48/75/83/354487583.db2.gz BNUABBHSVCQCMQ-UHFFFAOYSA-N 0 1 244.294 2.329 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C(N)=O)C1 ZINC000334707203 354500825 /nfs/dbraw/zinc/50/08/25/354500825.db2.gz CCGVORURDGBETK-KOLCDFICSA-N 0 1 210.321 2.422 20 0 BEADMN CCC[C@]1(CO)CCN(Cc2ccns2)C1 ZINC000639191457 354516391 /nfs/dbraw/zinc/51/63/91/354516391.db2.gz GIPMXCBCKRVLMA-LBPRGKRZSA-N 0 1 240.372 2.128 20 0 BEADMN C[C@H](O)CCN1CCc2c(Cl)cccc2C1 ZINC000334798920 354553941 /nfs/dbraw/zinc/55/39/41/354553941.db2.gz CXNDNKALFORLGJ-JTQLQIEISA-N 0 1 239.746 2.469 20 0 BEADMN Cc1nc([C@@H](C)N2CC[C@H](C)C(F)(F)C2)n[nH]1 ZINC000334810879 354568358 /nfs/dbraw/zinc/56/83/58/354568358.db2.gz AXXCXCRSXCEUJW-JGVFFNPUSA-N 0 1 244.289 2.151 20 0 BEADMN CC(C)N(Cc1ccns1)[C@@H]1CCOC1 ZINC000639198071 354599361 /nfs/dbraw/zinc/59/93/61/354599361.db2.gz ZZGWUJSZZZYXNX-SNVBAGLBSA-N 0 1 226.345 2.142 20 0 BEADMN Cc1cc(CC(=O)N[C@]2(C)CCCC[C@H]2C)[nH]n1 ZINC000335094635 354633311 /nfs/dbraw/zinc/63/33/11/354633311.db2.gz SSJCTCASCYDOID-QMTHXVAHSA-N 0 1 249.358 2.346 20 0 BEADMN CC[C@@H]1CCN1Cc1c2c(nn1C)CCCC2 ZINC000639202946 354608739 /nfs/dbraw/zinc/60/87/39/354608739.db2.gz NZRCNVICSKWQAQ-LLVKDONJSA-N 0 1 233.359 2.283 20 0 BEADMN C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000335110565 354697555 /nfs/dbraw/zinc/69/75/55/354697555.db2.gz OREKMQIPOQSNEN-SSDOTTSWSA-N 0 1 247.273 2.230 20 0 BEADMN CCC[C@H](CN(C)Cc1conc1CC)OC ZINC000639209148 354716589 /nfs/dbraw/zinc/71/65/89/354716589.db2.gz NWJAPJAORUXTFG-GFCCVEGCSA-N 0 1 240.347 2.484 20 0 BEADMN COC[C@@H]1CCN1Cc1c(C)cccc1OC ZINC000639205746 354668846 /nfs/dbraw/zinc/66/88/46/354668846.db2.gz BLESQUDNGVEICP-LBPRGKRZSA-N 0 1 235.327 2.224 20 0 BEADMN CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(C)(C)OC ZINC000345790391 354768991 /nfs/dbraw/zinc/76/89/91/354768991.db2.gz PNKVXUNSUJNYJG-VXGBXAGGSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@H]1c2ccccc2CN1C(=O)c1cnc[nH]1 ZINC000335126963 354771839 /nfs/dbraw/zinc/77/18/39/354771839.db2.gz BKPKEBSRHPSYAC-SECBINFHSA-N 0 1 227.267 2.127 20 0 BEADMN COC[C@H](Nc1cc2c(cn1)CCC2)C1CC1 ZINC000639212357 354774910 /nfs/dbraw/zinc/77/49/10/354774910.db2.gz YEQHFTJDWUPZKI-ZDUSSCGKSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1c([C@@H](C)NCc2ccc(C)nc2)cnn1C ZINC000166023694 354781268 /nfs/dbraw/zinc/78/12/68/354781268.db2.gz GGICBEACBAXWEG-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN CC[C@H](NCc1nc2ccccc2o1)C(C)(C)O ZINC000639209712 354741037 /nfs/dbraw/zinc/74/10/37/354741037.db2.gz ZXNCVUDOAWFNEF-LBPRGKRZSA-N 0 1 248.326 2.467 20 0 BEADMN CCC1(CC)CN(C[C@@H](O)C(F)(F)F)C1 ZINC000232885290 363388118 /nfs/dbraw/zinc/38/81/18/363388118.db2.gz ICMOYLSWJUHVEW-MRVPVSSYSA-N 0 1 225.254 2.032 20 0 BEADMN CCC[C@H](C)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000345961631 354821553 /nfs/dbraw/zinc/82/15/53/354821553.db2.gz ONDMIGWGKDNPJT-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](C)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000345961633 354821802 /nfs/dbraw/zinc/82/18/02/354821802.db2.gz ONDMIGWGKDNPJT-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccoc1CN(C)Cc1ccc(=O)[nH]c1 ZINC000639218202 354873359 /nfs/dbraw/zinc/87/33/59/354873359.db2.gz CRTGLELUIHHJPC-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)C2=CCCC2)C[C@@H]1C ZINC000345988779 354834763 /nfs/dbraw/zinc/83/47/63/354834763.db2.gz QTFXVIFDNZGNDQ-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CCC1(CC)CN(CCC2CC2)CC[S@]1=O ZINC000346013663 354839282 /nfs/dbraw/zinc/83/92/82/354839282.db2.gz IUXUXKAMALKADI-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN Cc1oncc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000335143824 354850362 /nfs/dbraw/zinc/85/03/62/354850362.db2.gz XJPKUXUFVKYBLF-DTORHVGOSA-N 0 1 226.345 2.309 20 0 BEADMN NC(=O)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000335955414 134023060 /nfs/dbraw/zinc/02/30/60/134023060.db2.gz NDFJAHCJYPSNAM-UHFFFAOYSA-N 0 1 246.625 2.049 20 0 BEADMN Cc1c(Cl)c(CN[C@@H]2CC[C@@H](F)C2)nn1C ZINC000335177890 354948258 /nfs/dbraw/zinc/94/82/58/354948258.db2.gz PFKIDUFNWSCBGE-RKDXNWHRSA-N 0 1 245.729 2.362 20 0 BEADMN CCC1(CC)CCC[N@@H+](CC(=O)OC)CC1 ZINC000346468128 354954526 /nfs/dbraw/zinc/95/45/26/354954526.db2.gz KUENZMCKYICPQD-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCC1(CC)CCCN(CC(=O)OC)CC1 ZINC000346468128 354954528 /nfs/dbraw/zinc/95/45/28/354954528.db2.gz KUENZMCKYICPQD-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN O[C@H]1C[C@@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000335198735 355031832 /nfs/dbraw/zinc/03/18/32/355031832.db2.gz ZQKHHUAMHJCRQW-AOOOYVTPSA-N 0 1 232.258 2.309 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000335189530 355021590 /nfs/dbraw/zinc/02/15/90/355021590.db2.gz KWEDWTMCOZJMAY-GXTWGEPZSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1nccn1C ZINC000335194877 355028391 /nfs/dbraw/zinc/02/83/91/355028391.db2.gz PAMOMAMBZURDIU-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1cn2cccnc2n1 ZINC000335194940 355028429 /nfs/dbraw/zinc/02/84/29/355028429.db2.gz PQRRDRBDMOFUSD-NSHDSACASA-N 0 1 244.342 2.350 20 0 BEADMN Cc1c(Cl)c(CNC2CC(C)C2)nn1C ZINC000335228195 355070099 /nfs/dbraw/zinc/07/00/99/355070099.db2.gz CQZXMQILCFOCCM-UHFFFAOYSA-N 0 1 227.739 2.270 20 0 BEADMN Cc1cnc(CN2CCC[C@H](CO)[C@H]2C)s1 ZINC000335181128 355077835 /nfs/dbraw/zinc/07/78/35/355077835.db2.gz RNGIAYVIBNDVAN-GHMZBOCLSA-N 0 1 240.372 2.044 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)C[C@H]2C)n[nH]1 ZINC000335211698 355048433 /nfs/dbraw/zinc/04/84/33/355048433.db2.gz BXHLKTWCAWUQQV-SECBINFHSA-N 0 1 235.331 2.233 20 0 BEADMN C[C@H](N[C@H]1COCC1(C)C)c1ccncc1F ZINC000335220522 355060180 /nfs/dbraw/zinc/06/01/80/355060180.db2.gz FEYVHWPEUDRETD-CABZTGNLSA-N 0 1 238.306 2.296 20 0 BEADMN O[C@H]1C[C@@H](CNc2ccc3cnccc3c2)C1 ZINC000335222435 355063305 /nfs/dbraw/zinc/06/33/05/355063305.db2.gz SXIAONASHOVPCQ-WJONMLJTSA-N 0 1 228.295 2.418 20 0 BEADMN C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccn(C)n1 ZINC000335225984 355067202 /nfs/dbraw/zinc/06/72/02/355067202.db2.gz KXXNBPAJHOTGDD-LLVKDONJSA-N 0 1 219.332 2.185 20 0 BEADMN CC[C@H]1CCN1Cc1cnc2nc(C)cc(C)n12 ZINC000335226941 355068455 /nfs/dbraw/zinc/06/84/55/355068455.db2.gz QQFSSHTWMDOVGR-LBPRGKRZSA-N 0 1 244.342 2.330 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)CC(C)(C)O1 ZINC000346824086 355126050 /nfs/dbraw/zinc/12/60/50/355126050.db2.gz LKSDCCZZWKRIIZ-LLVKDONJSA-N 0 1 227.348 2.055 20 0 BEADMN CCC(CC)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000346765321 355112812 /nfs/dbraw/zinc/11/28/12/355112812.db2.gz GUQGSASIRMWNND-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(CC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000346765317 355112850 /nfs/dbraw/zinc/11/28/50/355112850.db2.gz GUQGSASIRMWNND-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H]1CC(C)(C)CN1Cc1ncccn1 ZINC000335188229 355087871 /nfs/dbraw/zinc/08/78/71/355087871.db2.gz FZVZYFSUBGVZPO-JTQLQIEISA-N 0 1 205.305 2.097 20 0 BEADMN Cc1nc(SC[C@@H]2CC[N@H+](C)C2)oc1C ZINC000335248915 355166079 /nfs/dbraw/zinc/16/60/79/355166079.db2.gz ALOCIDVABJKVNS-SNVBAGLBSA-N 0 1 226.345 2.335 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000346954748 355167307 /nfs/dbraw/zinc/16/73/07/355167307.db2.gz YNWOQVMYRGTTLH-DYEKYZERSA-N 0 1 248.374 2.388 20 0 BEADMN C[C@@H](c1nncn1C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000346954752 355167374 /nfs/dbraw/zinc/16/73/74/355167374.db2.gz YNWOQVMYRGTTLH-MBNYWOFBSA-N 0 1 248.374 2.388 20 0 BEADMN CCc1nnc(S[C@H]2CCOC(C)(C)C2)[nH]1 ZINC000335249313 355168091 /nfs/dbraw/zinc/16/80/91/355168091.db2.gz MKZATQXSKFUFTR-QMMMGPOBSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCOC(C)(C)C2)n1 ZINC000335249313 355168095 /nfs/dbraw/zinc/16/80/95/355168095.db2.gz MKZATQXSKFUFTR-QMMMGPOBSA-N 0 1 241.360 2.417 20 0 BEADMN CC(C)OC[C@@H]1CN(CCCCCF)CCO1 ZINC000366960756 355138144 /nfs/dbraw/zinc/13/81/44/355138144.db2.gz HUDFKCVQBHGVNH-ZDUSSCGKSA-N 0 1 247.354 2.252 20 0 BEADMN CO[C@@H]1CCN(Cc2ccns2)CC1(C)C ZINC000639231244 355168617 /nfs/dbraw/zinc/16/86/17/355168617.db2.gz VUIPXCVNGAJZNS-LLVKDONJSA-N 0 1 240.372 2.390 20 0 BEADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)C1CCC1 ZINC000346904308 355149400 /nfs/dbraw/zinc/14/94/00/355149400.db2.gz WQZSZXSITDUWHL-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN C[C@@H](c1nncn1C)N(C)C[C@@H]1CC=CCC1 ZINC000346934777 355182794 /nfs/dbraw/zinc/18/27/94/355182794.db2.gz CLXPAKKQARCFFQ-NWDGAFQWSA-N 0 1 234.347 2.164 20 0 BEADMN CC[C@H](C)N(C)Cc1cn(C(C)C)nn1 ZINC000347592137 355249381 /nfs/dbraw/zinc/24/93/81/355249381.db2.gz QILFURZTVNSWEE-JTQLQIEISA-N 0 1 210.325 2.089 20 0 BEADMN Cc1cnc(CNC[C@H]2CCOC(C)(C)C2)o1 ZINC000639244328 355231622 /nfs/dbraw/zinc/23/16/22/355231622.db2.gz KXPKMSCFVBYMCU-NSHDSACASA-N 0 1 238.331 2.278 20 0 BEADMN CSCCCSCCN1CCO[C@H](C)C1 ZINC000413008240 191338934 /nfs/dbraw/zinc/33/89/34/191338934.db2.gz NAVBGHSMUZMPBT-LLVKDONJSA-N 0 1 249.445 2.193 20 0 BEADMN Cc1nc2ccc(CSCCCO)cc2[nH]1 ZINC000413016039 191340435 /nfs/dbraw/zinc/34/04/35/191340435.db2.gz LFFFXFYZTNGYDJ-UHFFFAOYSA-N 0 1 236.340 2.487 20 0 BEADMN CC[C@@H](CN1CCOC[C@H]1c1ccccc1)OC ZINC000412975970 191346307 /nfs/dbraw/zinc/34/63/07/191346307.db2.gz GYURFGOOTSJAQG-GJZGRUSLSA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@H](NCc1nc2ccccc2o1)[C@@H](C)O ZINC000639236612 355219296 /nfs/dbraw/zinc/21/92/96/355219296.db2.gz QUJQIIQIVLYCSD-ZJUUUORDSA-N 0 1 234.299 2.077 20 0 BEADMN COCC[C@@H](C)CNc1cc(C)ccn1 ZINC000413485961 191387460 /nfs/dbraw/zinc/38/74/60/191387460.db2.gz AKRWNRHVCZYBOE-LLVKDONJSA-N 0 1 208.305 2.475 20 0 BEADMN CCN(Cc1cn(C(C)C)nn1)C(C)C ZINC000347677660 355264114 /nfs/dbraw/zinc/26/41/14/355264114.db2.gz QORSBRQSOANDMR-UHFFFAOYSA-N 0 1 210.325 2.089 20 0 BEADMN COCC[C@@H](C)CNc1cccc(C)n1 ZINC000413493774 191390457 /nfs/dbraw/zinc/39/04/57/191390457.db2.gz OYDOMGSTVRYELQ-SNVBAGLBSA-N 0 1 208.305 2.475 20 0 BEADMN C[C@@H]1CN(CCOCC(F)F)CCC1(F)F ZINC000352016884 134036352 /nfs/dbraw/zinc/03/63/52/134036352.db2.gz APGOVRVPIWOOGY-MRVPVSSYSA-N 0 1 243.244 2.245 20 0 BEADMN Cc1csc([C@@H](C)NCC2=CCCOC2)n1 ZINC000124687524 324623403 /nfs/dbraw/zinc/62/34/03/324623403.db2.gz JLOVJWBAGBZLKY-SNVBAGLBSA-N 0 1 238.356 2.449 20 0 BEADMN CC[N@@H+](Cc1cccs1)[C@@H](C(=O)[O-])C1CC1 ZINC000084094056 355288690 /nfs/dbraw/zinc/28/86/90/355288690.db2.gz VCHXACVWURDTDK-LLVKDONJSA-N 0 1 239.340 2.433 20 0 BEADMN CCC[C@H](CNCc1cnc(CC)o1)OC ZINC000639253151 355288692 /nfs/dbraw/zinc/28/86/92/355288692.db2.gz QXFVBABVKHWIKT-SNVBAGLBSA-N 0 1 226.320 2.142 20 0 BEADMN CCC[C@@H](CNCc1cnc(CC)o1)OC ZINC000639253150 355288766 /nfs/dbraw/zinc/28/87/66/355288766.db2.gz QXFVBABVKHWIKT-JTQLQIEISA-N 0 1 226.320 2.142 20 0 BEADMN CCc1ncc(CNC[C@@H](CC(C)C)OC)o1 ZINC000639254591 355290307 /nfs/dbraw/zinc/29/03/07/355290307.db2.gz XLWNGLNPKDJJHK-LLVKDONJSA-N 0 1 240.347 2.388 20 0 BEADMN CCc1ncc(CNC[C@H](CC(C)C)OC)o1 ZINC000639254592 355290321 /nfs/dbraw/zinc/29/03/21/355290321.db2.gz XLWNGLNPKDJJHK-NSHDSACASA-N 0 1 240.347 2.388 20 0 BEADMN Cc1ccc([C@@H](C)CN2CC(C)(O)C2)cc1 ZINC000639253268 355290494 /nfs/dbraw/zinc/29/04/94/355290494.db2.gz CEOOHLLCPWMBME-LBPRGKRZSA-N 0 1 219.328 2.165 20 0 BEADMN COCC1(C)CN(Cc2c(C)cccc2OC)C1 ZINC000639255762 355296619 /nfs/dbraw/zinc/29/66/19/355296619.db2.gz YGXGTJNQIWRXCD-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN CCC[C@@H](CN1CC[N@H+](CC)C[C@@H]1CC)OC ZINC000639251138 355283292 /nfs/dbraw/zinc/28/32/92/355283292.db2.gz XYSUYRQEPQUAKE-KBPBESRZSA-N 0 1 242.407 2.218 20 0 BEADMN CC1(CC(F)F)CN(Cc2ccc(=O)[nH]c2)C1 ZINC000639282422 355378209 /nfs/dbraw/zinc/37/82/09/355378209.db2.gz CUZQXKJZVRJDQL-UHFFFAOYSA-N 0 1 242.269 2.264 20 0 BEADMN COc1ncc(CN(C)C(C)(C)C)s1 ZINC000639285266 355389303 /nfs/dbraw/zinc/38/93/03/355389303.db2.gz DDURRGOFJMFJTN-UHFFFAOYSA-N 0 1 214.334 2.382 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000335740263 355389994 /nfs/dbraw/zinc/38/99/94/355389994.db2.gz ZUMFRCZMTLLBNK-WCBMZHEXSA-N 0 1 247.264 2.491 20 0 BEADMN Cc1ccc(CNCCOC2CCCCC2)nn1 ZINC000414311190 191487847 /nfs/dbraw/zinc/48/78/47/191487847.db2.gz XRHLYRLTUTYLRD-UHFFFAOYSA-N 0 1 249.358 2.224 20 0 BEADMN CO[C@H](C)CNCc1ccc(Br)o1 ZINC000191201302 355345655 /nfs/dbraw/zinc/34/56/55/355345655.db2.gz OMGJZDHMGMGVFT-SSDOTTSWSA-N 0 1 248.120 2.167 20 0 BEADMN c1ccc2oc(CN[C@@H]3CC34CC4)nc2c1 ZINC000639276835 355353084 /nfs/dbraw/zinc/35/30/84/355353084.db2.gz GQMFUWXLZAWFES-LLVKDONJSA-N 0 1 214.268 2.470 20 0 BEADMN Cc1ccccc1Cc1nc(C2(N)CCC2)no1 ZINC000335777581 355402871 /nfs/dbraw/zinc/40/28/71/355402871.db2.gz KSJYGYLYIIEVAN-UHFFFAOYSA-N 0 1 243.310 2.307 20 0 BEADMN CC(C)(C(=O)N1CCC2(CCC2)C1)c1c[nH]cn1 ZINC000335777188 355403045 /nfs/dbraw/zinc/40/30/45/355403045.db2.gz VDPLMEOCRVYYQI-UHFFFAOYSA-N 0 1 247.342 2.090 20 0 BEADMN CC(C)C[C@@H](N)c1noc(CC2(C)CC2)n1 ZINC000414611617 191538181 /nfs/dbraw/zinc/53/81/81/191538181.db2.gz CMJBEEUIJOJGHZ-SECBINFHSA-N 0 1 223.320 2.458 20 0 BEADMN Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335778031 355404106 /nfs/dbraw/zinc/40/41/06/355404106.db2.gz AJCGOAYBDIFZCQ-CHWSQXEVSA-N 0 1 246.354 2.208 20 0 BEADMN CC[C@@H](SC)c1nc(C2(N)CCC2)no1 ZINC000414628181 191539669 /nfs/dbraw/zinc/53/96/69/191539669.db2.gz NQDNEEPIYNEHTI-SSDOTTSWSA-N 0 1 227.333 2.222 20 0 BEADMN C(N[C@H]1CCC12CCCC2)c1nnc2n1CCC2 ZINC000335782212 355429557 /nfs/dbraw/zinc/42/95/57/355429557.db2.gz FFCRUAZSBJPJIE-NSHDSACASA-N 0 1 246.358 2.037 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000335786494 355436108 /nfs/dbraw/zinc/43/61/08/355436108.db2.gz PEEWUKZXQGOGOE-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CCn1ccnc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000335802884 355472357 /nfs/dbraw/zinc/47/23/57/355472357.db2.gz VGROERMOTUFETP-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1ccnc1CN1C[C@@H](C)C[C@H]1C ZINC000335802884 355472362 /nfs/dbraw/zinc/47/23/62/355472362.db2.gz VGROERMOTUFETP-WDEREUQCSA-N 0 1 207.321 2.133 20 0 BEADMN CCC(CC)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352029468 134044883 /nfs/dbraw/zinc/04/48/83/134044883.db2.gz ROKAYRATCBHCCO-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H]1CC[C@H](C[N@H+]2CCOCC23CCCC3)O1 ZINC000335822804 355542505 /nfs/dbraw/zinc/54/25/05/355542505.db2.gz NXWXGJSWADJCGM-CHWSQXEVSA-N 0 1 239.359 2.199 20 0 BEADMN CC1=CCC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000335822502 355542830 /nfs/dbraw/zinc/54/28/30/355542830.db2.gz MUVBUEBIVZFPPH-GFCCVEGCSA-N 0 1 236.359 2.086 20 0 BEADMN CC1=CCCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000335822502 355542832 /nfs/dbraw/zinc/54/28/32/355542832.db2.gz MUVBUEBIVZFPPH-GFCCVEGCSA-N 0 1 236.359 2.086 20 0 BEADMN CC(C)(C)CCC(=O)NCCN1CC=CCC1 ZINC000350079913 355581212 /nfs/dbraw/zinc/58/12/12/355581212.db2.gz WGZMOBPMVXUBII-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN O=C(N[C@H]1CC12CCCC2)[C@@H]1CCCN1C1CC1 ZINC000335845911 355589326 /nfs/dbraw/zinc/58/93/26/355589326.db2.gz IZYVADUTKUYQFC-STQMWFEESA-N 0 1 248.370 2.062 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000335836185 355563786 /nfs/dbraw/zinc/56/37/86/355563786.db2.gz MLKNKUGDEFGQNB-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCC2)[C@H](C)CN1C ZINC000352029805 134045136 /nfs/dbraw/zinc/04/51/36/134045136.db2.gz SLDZIEWYLWNLNU-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cnc(CNC[C@@H](C)c2ccccn2)o1 ZINC000639302193 355645891 /nfs/dbraw/zinc/64/58/91/355645891.db2.gz DQSUXKPHMYDPLQ-SNVBAGLBSA-N 0 1 231.299 2.271 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCc1ccncc1 ZINC000335861364 355624357 /nfs/dbraw/zinc/62/43/57/355624357.db2.gz OWJRBYJVOJNVSR-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN NC(=O)[C@@H]1CCCN1Cc1cccc2c[nH]nc21 ZINC000335866707 355631102 /nfs/dbraw/zinc/63/11/02/355631102.db2.gz DVFRQZQFEVKXOV-NSHDSACASA-N 0 1 244.298 2.063 20 0 BEADMN O=C(Nc1ccccc1F)C12CCCN1CCC2 ZINC000335870891 355636635 /nfs/dbraw/zinc/63/66/35/355636635.db2.gz YGZDWKPYUATTQZ-UHFFFAOYSA-N 0 1 248.301 2.393 20 0 BEADMN NC(=O)c1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000335155975 181206913 /nfs/dbraw/zinc/20/69/13/181206913.db2.gz IQAZBKOQQGKNBF-RYUDHWBXSA-N 0 1 248.351 2.260 20 0 BEADMN CCOC[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000582191745 355700796 /nfs/dbraw/zinc/70/07/96/355700796.db2.gz KDXYGCOWIBXDHA-NWDGAFQWSA-N 0 1 247.342 2.410 20 0 BEADMN CCC[N@H+]1CC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000639329685 355746140 /nfs/dbraw/zinc/74/61/40/355746140.db2.gz KKYYUVUDKXTHHH-GFCCVEGCSA-N 0 1 249.358 2.126 20 0 BEADMN C1=C(CNCc2cc3c(cn2)OCCO3)CCC1 ZINC000639329610 355746376 /nfs/dbraw/zinc/74/63/76/355746376.db2.gz JKFPXFVVURNJOB-UHFFFAOYSA-N 0 1 246.310 2.053 20 0 BEADMN CC(C)=CCNCc1c(C)nn(C)c1Cl ZINC000191630956 355757549 /nfs/dbraw/zinc/75/75/49/355757549.db2.gz QTFIVLRUWSEFFL-UHFFFAOYSA-N 0 1 227.739 2.438 20 0 BEADMN Cc1cnc(CNCC[C@H]2CC2(F)F)o1 ZINC000639337670 355776415 /nfs/dbraw/zinc/77/64/15/355776415.db2.gz DPJHXMZZLXQTDV-QMMMGPOBSA-N 0 1 216.231 2.118 20 0 BEADMN Cn1ncnc1CNCC[C@@H]1CCCC1(C)C ZINC000639344174 355787447 /nfs/dbraw/zinc/78/74/47/355787447.db2.gz VPKOSTZRGBDQEM-NSHDSACASA-N 0 1 236.363 2.121 20 0 BEADMN CCC(F)(F)CNCCC1CCOCC1 ZINC000639350046 355796596 /nfs/dbraw/zinc/79/65/96/355796596.db2.gz DCPNVOQLGUTSKK-UHFFFAOYSA-N 0 1 221.291 2.438 20 0 BEADMN CC[C@H](C)[C@H](CN1CCO[C@H](CCF)C1)OC ZINC000639352219 355801260 /nfs/dbraw/zinc/80/12/60/355801260.db2.gz FHLBMVMWZRKGTH-XQQFMLRXSA-N 0 1 247.354 2.108 20 0 BEADMN Cc1nnc(CN2C3CCCC2CCC3)o1 ZINC000608498905 355827435 /nfs/dbraw/zinc/82/74/35/355827435.db2.gz JBRBLKPBNRYSJN-UHFFFAOYSA-N 0 1 221.304 2.285 20 0 BEADMN COCCN(Cc1ncc(C)o1)C1CCCC1 ZINC000608493233 355819332 /nfs/dbraw/zinc/81/93/32/355819332.db2.gz WFFXNFQGKQRLGW-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN C[C@@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1ccccn1 ZINC000035126582 355840425 /nfs/dbraw/zinc/84/04/25/355840425.db2.gz ONPNBIIDFQEZNS-SECBINFHSA-N 0 1 243.266 2.348 20 0 BEADMN CN(Cc1nnc[nH]1)[C@H]1/C=C/CCCCC1 ZINC000336039880 134061125 /nfs/dbraw/zinc/06/11/25/134061125.db2.gz JYCWYVNPGHJUGO-ZRQQLDRUSA-N 0 1 220.320 2.125 20 0 BEADMN c1c[nH]c(CNC2CC(Oc3ccccc3)C2)n1 ZINC000639368062 355851803 /nfs/dbraw/zinc/85/18/03/355851803.db2.gz WITMOTBFWRQTGT-UHFFFAOYSA-N 0 1 243.310 2.109 20 0 BEADMN C[C@@H]1C[C@H](NCc2nc3ccccc3o2)[C@H](C)O1 ZINC000639378277 355912067 /nfs/dbraw/zinc/91/20/67/355912067.db2.gz SPTLAWRHLJZLFE-SCVCMEIPSA-N 0 1 246.310 2.483 20 0 BEADMN Cc1ccc(F)cc1CNC1(C)COC1 ZINC000639380189 355916218 /nfs/dbraw/zinc/91/62/18/355916218.db2.gz BNPBPAIJSZWMCP-UHFFFAOYSA-N 0 1 209.264 2.013 20 0 BEADMN COc1cc(CN2[C@H](C)C[C@H]2C)ccn1 ZINC000336056056 134066348 /nfs/dbraw/zinc/06/63/48/134066348.db2.gz UEDYWXYIHQLKED-NXEZZACHSA-N 0 1 206.289 2.073 20 0 BEADMN CC1(NC/C=C/c2ccc(F)cc2F)COC1 ZINC000639380687 355918824 /nfs/dbraw/zinc/91/88/24/355918824.db2.gz JGLIDJPGCBSASW-NSCUHMNNSA-N 0 1 239.265 2.357 20 0 BEADMN CC1(NCc2ccnc3ccccc23)COC1 ZINC000639381394 355921563 /nfs/dbraw/zinc/92/15/63/355921563.db2.gz CIEMGPDSCQJYRZ-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN CCCOc1cccc(CNC2(C)COC2)c1 ZINC000639381360 355921749 /nfs/dbraw/zinc/92/17/49/355921749.db2.gz BNFWSQBMCQJALS-UHFFFAOYSA-N 0 1 235.327 2.354 20 0 BEADMN Cc1cc(C)cc(CNC2(C)COC2)c1 ZINC000639381548 355922399 /nfs/dbraw/zinc/92/23/99/355922399.db2.gz FIEMIYYXTPMGHS-UHFFFAOYSA-N 0 1 205.301 2.182 20 0 BEADMN CC1(NCc2ccc3ncccc3c2)COC1 ZINC000639381818 355923343 /nfs/dbraw/zinc/92/33/43/355923343.db2.gz IOWOJARXQMIWJF-UHFFFAOYSA-N 0 1 228.295 2.113 20 0 BEADMN CCc1ccc(CNC2(C)COC2)cc1 ZINC000639382111 355926748 /nfs/dbraw/zinc/92/67/48/355926748.db2.gz MCOJUYSTAMLJDE-UHFFFAOYSA-N 0 1 205.301 2.128 20 0 BEADMN CCc1nc(CCNCc2cocn2)cs1 ZINC000192304196 355979403 /nfs/dbraw/zinc/97/94/03/355979403.db2.gz UUFPKRFMXSMXJW-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCO[C@@H](c2ccco2)C1 ZINC000351415695 355987757 /nfs/dbraw/zinc/98/77/57/355987757.db2.gz OQLUUINBGRJYGQ-NQBHXWOUSA-N 0 1 221.300 2.309 20 0 BEADMN CCc1noc(CN2C[C@H](C)C[C@H]2CC)n1 ZINC000608752487 355966526 /nfs/dbraw/zinc/96/65/26/355966526.db2.gz SNDLWZMFEGKDPF-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN O=C([O-])C[N@@H+](CCCCF)C1CCCC1 ZINC000389345646 355973312 /nfs/dbraw/zinc/97/33/12/355973312.db2.gz ULNIGKXDUSEWQG-UHFFFAOYSA-N 0 1 217.284 2.065 20 0 BEADMN COc1ccc(Cl)c(CN(C)[C@H](C)CO)c1 ZINC000192128357 356033070 /nfs/dbraw/zinc/03/30/70/356033070.db2.gz GRODVGMHBNBSMT-SECBINFHSA-N 0 1 243.734 2.161 20 0 BEADMN C[C@H](c1cccc(F)c1)N1CCc2n[nH]nc2C1 ZINC000351638303 356039734 /nfs/dbraw/zinc/03/97/34/356039734.db2.gz BPJYYCNFZGPBFF-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN CC[C@@H](c1ccccc1)N1CCc2n[nH]nc2C1 ZINC000351640009 356040298 /nfs/dbraw/zinc/04/02/98/356040298.db2.gz CRDZOYCTKYIHEC-AWEZNQCLSA-N 0 1 242.326 2.314 20 0 BEADMN COCCN(Cc1ccon1)[C@@H]1CCC[C@H]1C ZINC000351644570 356042351 /nfs/dbraw/zinc/04/23/51/356042351.db2.gz AKQUBIWDMMEZHB-DGCLKSJQSA-N 0 1 238.331 2.312 20 0 BEADMN CC1(C)CN(Cc2cccc3nccn32)C1 ZINC000639393545 356059734 /nfs/dbraw/zinc/05/97/34/356059734.db2.gz MUXGHBWYVXHNTO-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN CCc1ncc(CN2CCC(C)(F)CC2)cn1 ZINC000639389138 356011150 /nfs/dbraw/zinc/01/11/50/356011150.db2.gz QFBDIURRUUPYIA-UHFFFAOYSA-N 0 1 237.322 2.363 20 0 BEADMN CCCCN(CCOC)Cc1conc1CC ZINC000351566181 356019630 /nfs/dbraw/zinc/01/96/30/356019630.db2.gz GHUCZTMUOQXIRE-UHFFFAOYSA-N 0 1 240.347 2.486 20 0 BEADMN Cc1cc(CN[C@H]2CCCn3nccc32)sn1 ZINC000639398717 356119842 /nfs/dbraw/zinc/11/98/42/356119842.db2.gz YOJOXVVPUNNNCE-NSHDSACASA-N 0 1 248.355 2.273 20 0 BEADMN Cc1ncc([C@H](C)N2CC(C)(C)C2)c(C)n1 ZINC000639393941 356077475 /nfs/dbraw/zinc/07/74/75/356077475.db2.gz YOHQTPKUPSISLE-JTQLQIEISA-N 0 1 219.332 2.496 20 0 BEADMN CCCN1CCN(CCCCF)C(C)(C)C1=O ZINC000351838044 356094225 /nfs/dbraw/zinc/09/42/25/356094225.db2.gz XJRKIUQBKDLOBK-UHFFFAOYSA-N 0 1 244.354 2.069 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000613495195 363459375 /nfs/dbraw/zinc/45/93/75/363459375.db2.gz DWJOMLDSCDLRPT-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@H]1COC(C)(C)CN1CCc1ccccn1 ZINC000336092672 134079195 /nfs/dbraw/zinc/07/91/95/134079195.db2.gz AUZRYORKOQVOHM-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CCOC1CC(C[N@H+]2C[C@@H](C)OC[C@H]2CC)C1 ZINC000351885059 356136399 /nfs/dbraw/zinc/13/63/99/356136399.db2.gz AVKMXEWQEQETNE-NELGMTEASA-N 0 1 241.375 2.301 20 0 BEADMN CC1(C)CC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000613495195 363459374 /nfs/dbraw/zinc/45/93/74/363459374.db2.gz DWJOMLDSCDLRPT-SECBINFHSA-N 0 1 248.330 2.447 20 0 BEADMN O=C(c1cc(C(F)F)[nH]n1)N1CCCCCC1 ZINC000639435960 356213458 /nfs/dbraw/zinc/21/34/58/356213458.db2.gz BQPLSBIIGVIFNS-UHFFFAOYSA-N 0 1 243.257 2.364 20 0 BEADMN C[C@@H]1OCC[C@H]1CN1CCn2cccc2[C@H]1C ZINC000639441360 356219825 /nfs/dbraw/zinc/21/98/25/356219825.db2.gz TUEZSQYBSJSPKJ-AGIUHOORSA-N 0 1 234.343 2.290 20 0 BEADMN CC[C@@H]1CCCN(CC(=O)Nc2ccccn2)C1 ZINC000639441894 356220798 /nfs/dbraw/zinc/22/07/98/356220798.db2.gz YBALVCAYSXUSNY-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1C[C@H]1CC(C)(C)CO1 ZINC000639451121 356236058 /nfs/dbraw/zinc/23/60/58/356236058.db2.gz BNBABCZERMERDF-YNEHKIRRSA-N 0 1 241.375 2.301 20 0 BEADMN CC(=O)CN(C)CCCOc1ccc(F)cc1 ZINC000639447870 356228791 /nfs/dbraw/zinc/22/87/91/356228791.db2.gz KEFGHPDCKACAPU-UHFFFAOYSA-N 0 1 239.290 2.115 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000617636993 356232066 /nfs/dbraw/zinc/23/20/66/356232066.db2.gz LOKCNCDMLBHNHT-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H]1CCCCN1C ZINC000617636993 356232068 /nfs/dbraw/zinc/23/20/68/356232068.db2.gz LOKCNCDMLBHNHT-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000006202940 356202211 /nfs/dbraw/zinc/20/22/11/356202211.db2.gz GUGRTERAMBBWTE-GFCCVEGCSA-N 0 1 249.310 2.053 20 0 BEADMN CCCN(CC(C)=O)Cc1ccc(OC)cc1 ZINC000639463516 356249766 /nfs/dbraw/zinc/24/97/66/356249766.db2.gz UTVAWCNGOUVGFC-UHFFFAOYSA-N 0 1 235.327 2.496 20 0 BEADMN Cc1nc(CN2Cc3ccccc3C[C@H]2C)n[nH]1 ZINC000336111043 134086473 /nfs/dbraw/zinc/08/64/73/134086473.db2.gz NDUILHVIBBFRMG-SNVBAGLBSA-N 0 1 242.326 2.060 20 0 BEADMN CC1(C)CC[C@@H]1NCc1nnc2n1CCCCC2 ZINC000336113964 134087999 /nfs/dbraw/zinc/08/79/99/134087999.db2.gz JOYIWJFPMTUYGS-NSHDSACASA-N 0 1 248.374 2.283 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000617638304 356240912 /nfs/dbraw/zinc/24/09/12/356240912.db2.gz KWZYBBAMXZDFNZ-MNOVXSKESA-N 0 1 249.358 2.382 20 0 BEADMN c1ccc2c(c1)CN(CCc1cnccn1)C2 ZINC000639481067 356295245 /nfs/dbraw/zinc/29/52/45/356295245.db2.gz SDYKZUXYORMAPB-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN Cc1ncsc1CN(C)Cc1cc[nH]c(=O)c1 ZINC000639482780 356295299 /nfs/dbraw/zinc/29/52/99/356295299.db2.gz NOZHQPRPSSPBDZ-UHFFFAOYSA-N 0 1 249.339 2.184 20 0 BEADMN CC(=O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000639482544 356295399 /nfs/dbraw/zinc/29/53/99/356295399.db2.gz BUJDEPMVUDSEBX-UHFFFAOYSA-N 0 1 234.343 2.331 20 0 BEADMN CC(=O)CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000639494528 356319747 /nfs/dbraw/zinc/31/97/47/356319747.db2.gz BCXUIMHGIJLYRA-GFCCVEGCSA-N 0 1 219.328 2.447 20 0 BEADMN CC[N@@H+](Cc1ccccc1C)[C@H](C)C(=O)[O-] ZINC000236977415 363462605 /nfs/dbraw/zinc/46/26/05/363462605.db2.gz LSDRLMANASWRQO-LLVKDONJSA-N 0 1 221.300 2.290 20 0 BEADMN CCc1nc(C)c(CN2C[C@H](C)[C@H]2C)o1 ZINC000336342056 356342801 /nfs/dbraw/zinc/34/28/01/356342801.db2.gz AHYNFFDNGSTRJS-WCBMZHEXSA-N 0 1 208.305 2.386 20 0 BEADMN c1nc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000336137128 134096499 /nfs/dbraw/zinc/09/64/99/134096499.db2.gz IDHZWHXJTKZDBO-GHMZBOCLSA-N 0 1 238.356 2.002 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639511458 356345841 /nfs/dbraw/zinc/34/58/41/356345841.db2.gz CEXMYDGHLLXARF-UHFFFAOYSA-N 0 1 231.246 2.075 20 0 BEADMN CC1(CN2CCSC[C@H]2C(N)=O)CCC1 ZINC000336138084 134096889 /nfs/dbraw/zinc/09/68/89/134096889.db2.gz AXLLHSPSDUADPT-VIFPVBQESA-N 0 1 228.361 2.129 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC(C)(C2CC2)CC1 ZINC000352188909 134097640 /nfs/dbraw/zinc/09/76/40/134097640.db2.gz KFBCLZQMIRPGNW-LBPRGKRZSA-N 0 1 239.359 2.450 20 0 BEADMN CC(=O)CNC1(c2ccc(F)cc2)CCC1 ZINC000639527790 356376726 /nfs/dbraw/zinc/37/67/26/356376726.db2.gz YFSOLWFZEODCAK-UHFFFAOYSA-N 0 1 221.275 2.384 20 0 BEADMN CCN1CCN(Cc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC000352667528 356400563 /nfs/dbraw/zinc/40/05/63/356400563.db2.gz LAHKDZVVSIWVBX-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN CCc1noc(C)c1CN(C)[C@H]1CCCOC1 ZINC000352193370 134098033 /nfs/dbraw/zinc/09/80/33/134098033.db2.gz CMAZULCHZDKBGX-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CCN(Cc1ccc(F)cc1F)C[C@H](C)O ZINC000352203736 134103622 /nfs/dbraw/zinc/10/36/22/134103622.db2.gz UXDVXZDYAIWPGF-VIFPVBQESA-N 0 1 229.270 2.168 20 0 BEADMN CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)[O-])s1 ZINC000237049590 363464821 /nfs/dbraw/zinc/46/48/21/363464821.db2.gz XBCKKUNPPURBBC-MRVPVSSYSA-N 0 1 242.344 2.091 20 0 BEADMN CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)[O-])s1 ZINC000237049590 363464822 /nfs/dbraw/zinc/46/48/22/363464822.db2.gz XBCKKUNPPURBBC-MRVPVSSYSA-N 0 1 242.344 2.091 20 0 BEADMN c1cc(CN2CCC3(CCOC3)CC2)sn1 ZINC000639551948 356440010 /nfs/dbraw/zinc/44/00/10/356440010.db2.gz QFROLIJEFXDCJY-UHFFFAOYSA-N 0 1 238.356 2.146 20 0 BEADMN CC(=O)CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000639564469 356480591 /nfs/dbraw/zinc/48/05/91/356480591.db2.gz GJLOYJAPCLRHCB-LBPRGKRZSA-N 0 1 243.310 2.112 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000639567516 356487599 /nfs/dbraw/zinc/48/75/99/356487599.db2.gz RVGFYADXVRCGTR-SNVBAGLBSA-N 0 1 209.264 2.374 20 0 BEADMN CC[C@H](C)CNc1nnc(C2CC2)s1 ZINC000420651640 192255509 /nfs/dbraw/zinc/25/55/09/192255509.db2.gz KPMVWDDZFQSLDK-ZETCQYMHSA-N 0 1 211.334 2.295 20 0 BEADMN CCN1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000334140995 356475725 /nfs/dbraw/zinc/47/57/25/356475725.db2.gz CUKNWEZIMWONAC-ZDUSSCGKSA-N 0 1 233.359 2.456 20 0 BEADMN CCN1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000334140994 356475790 /nfs/dbraw/zinc/47/57/90/356475790.db2.gz CUKNWEZIMWONAC-CYBMUJFWSA-N 0 1 233.359 2.456 20 0 BEADMN CCN(Cc1cc(F)ccc1OC)C[C@H](C)O ZINC000352224216 134109996 /nfs/dbraw/zinc/10/99/96/134109996.db2.gz ZVRMXVJZYDMRHM-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CC(C)(O)CCN[C@@H]1CCCc2scnc21 ZINC000623963735 356476469 /nfs/dbraw/zinc/47/64/69/356476469.db2.gz NRGPZRNMWCYQHY-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)on1 ZINC000336174350 134116529 /nfs/dbraw/zinc/11/65/29/134116529.db2.gz JTIHMSOFNDRFBC-ZYHUDNBSSA-N 0 1 206.289 2.439 20 0 BEADMN C[C@@H]1CCCCN(CC(=O)Nc2ccccn2)C1 ZINC000639594416 356513346 /nfs/dbraw/zinc/51/33/46/356513346.db2.gz RJDASWRPWMSAEW-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000639569620 356494433 /nfs/dbraw/zinc/49/44/33/356494433.db2.gz OEKXMGNIXOXOOW-SNVBAGLBSA-N 0 1 209.264 2.374 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@@H]1CCCOC1 ZINC000336175577 134114301 /nfs/dbraw/zinc/11/43/01/134114301.db2.gz IISNWSDWGQPCCY-STQMWFEESA-N 0 1 234.343 2.291 20 0 BEADMN C[C@@H]1C[C@H]1CN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291787 356510539 /nfs/dbraw/zinc/51/05/39/356510539.db2.gz SMFNSXUHGGDIRG-WZRBSPASSA-N 0 1 244.338 2.485 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000336178473 134117385 /nfs/dbraw/zinc/11/73/85/134117385.db2.gz XHAOSWNOIOPWTB-UWVGGRQHSA-N 0 1 243.310 2.481 20 0 BEADMN C(c1noc(CN2CC[C@@H]3CCC[C@H]32)n1)C1CC1 ZINC000639597673 356517302 /nfs/dbraw/zinc/51/73/02/356517302.db2.gz HBHDLGNLILOMQL-NWDGAFQWSA-N 0 1 247.342 2.397 20 0 BEADMN CC(C)C1(NCc2nn(C)cc2Cl)CC1 ZINC000420979164 192289797 /nfs/dbraw/zinc/28/97/97/192289797.db2.gz VEXDSIUZQDZFML-UHFFFAOYSA-N 0 1 227.739 2.352 20 0 BEADMN COC[C@H]1CCCN(Cc2nccs2)CC1 ZINC000449776182 202032031 /nfs/dbraw/zinc/03/20/31/202032031.db2.gz NWVAXRZBRGNYBD-NSHDSACASA-N 0 1 240.372 2.392 20 0 BEADMN C[C@@H]1OCCN(CC2CC(F)(F)C2)[C@H]1C ZINC000336195967 134125773 /nfs/dbraw/zinc/12/57/73/134125773.db2.gz HTHMYQHYRXFENE-IUCAKERBSA-N 0 1 219.275 2.141 20 0 BEADMN C[C@@H]1CN(CC2CC(F)(F)C2)[C@@H](C)CO1 ZINC000336196252 134126296 /nfs/dbraw/zinc/12/62/96/134126296.db2.gz KAEIYAIVHGUHBF-DTWKUNHWSA-N 0 1 219.275 2.141 20 0 BEADMN NC(=O)[C@@H]1CCCCN1CC1CC(F)(F)C1 ZINC000336196464 134126330 /nfs/dbraw/zinc/12/63/30/134126330.db2.gz MMPKALYTTDMEPD-VIFPVBQESA-N 0 1 232.274 2.421 20 0 BEADMN Fc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421009597 192300485 /nfs/dbraw/zinc/30/04/85/192300485.db2.gz BVBXJRVTOIOBMS-ZDUSSCGKSA-N 0 1 221.275 2.191 20 0 BEADMN OCC[C@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC000421015457 192301429 /nfs/dbraw/zinc/30/14/29/192301429.db2.gz LJMLKUFBVLJYIG-NSHDSACASA-N 0 1 240.372 2.128 20 0 BEADMN OCC[C@H]1CCCN(Cc2nccs2)CC1 ZINC000421015457 192301432 /nfs/dbraw/zinc/30/14/32/192301432.db2.gz LJMLKUFBVLJYIG-NSHDSACASA-N 0 1 240.372 2.128 20 0 BEADMN c1ccc(CCC[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421017572 192303729 /nfs/dbraw/zinc/30/37/29/192303729.db2.gz KEFPVIQSETXALC-HNNXBMFYSA-N 0 1 231.339 2.484 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421019939 192304399 /nfs/dbraw/zinc/30/43/99/192304399.db2.gz NCXDJALNYZQBPZ-OAHLLOKOSA-N 0 1 231.339 2.402 20 0 BEADMN Cc1c(Cl)c(CNCC2CCC2)nn1C ZINC000421330285 192318363 /nfs/dbraw/zinc/31/83/63/192318363.db2.gz WZQJKWATDLMNRA-UHFFFAOYSA-N 0 1 227.739 2.272 20 0 BEADMN COCc1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000350598751 366307786 /nfs/dbraw/zinc/30/77/86/366307786.db2.gz PPSZFDVEONBZBH-KXUCPTDWSA-N 0 1 239.319 2.150 20 0 BEADMN Cc1c(Cl)c(CNC[C@H]2C[C@H]2C)nn1C ZINC000421324540 192317399 /nfs/dbraw/zinc/31/73/99/192317399.db2.gz IMKMYPIZPJTLAF-VXNVDRBHSA-N 0 1 227.739 2.128 20 0 BEADMN CC(C)N(CC(N)=O)Cc1cccc(C2CC2)c1 ZINC000421325658 192317479 /nfs/dbraw/zinc/31/74/79/192317479.db2.gz DFWBHVRRGSJADS-UHFFFAOYSA-N 0 1 246.354 2.260 20 0 BEADMN CCC(F)(F)CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000639666343 356580597 /nfs/dbraw/zinc/58/05/97/356580597.db2.gz QQYFRGAKNHTDCA-RYUDHWBXSA-N 0 1 247.329 2.418 20 0 BEADMN c1cc(CN2CCC[C@H](c3cccnc3)C2)n[nH]1 ZINC000639696484 356605258 /nfs/dbraw/zinc/60/52/58/356605258.db2.gz KFQWZVMUJOGLMS-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN CCN(CC(=O)NCCCC(C)(C)C)C1CC1 ZINC000152878503 538460564 /nfs/dbraw/zinc/46/05/64/538460564.db2.gz YLODDALEKGJFFZ-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)[C@@H](C)CO1 ZINC000639729753 356623352 /nfs/dbraw/zinc/62/33/52/356623352.db2.gz MBHRKLXDLAHTDR-YNEHKIRRSA-N 0 1 241.375 2.301 20 0 BEADMN c1c(CN2CCCCCC2)nnn1CC1CC1 ZINC000450240856 202104563 /nfs/dbraw/zinc/10/45/63/202104563.db2.gz IWMWXQHHCZRQFX-UHFFFAOYSA-N 0 1 234.347 2.064 20 0 BEADMN CCCN(CCC)Cc1cn(CC2CC2)nn1 ZINC000450259284 202111677 /nfs/dbraw/zinc/11/16/77/202111677.db2.gz FFCNCYJJZDNALV-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN Cn1ccc(CN[C@@H]2CC23CCCCC3)n1 ZINC000387216883 363545429 /nfs/dbraw/zinc/54/54/29/363545429.db2.gz ZBXQMUVNZQURGL-GFCCVEGCSA-N 0 1 219.332 2.233 20 0 BEADMN CN(Cc1cn(CC2CC2)nn1)CC1CCCC1 ZINC000450321128 202127802 /nfs/dbraw/zinc/12/78/02/202127802.db2.gz YXHHGYNWEGAXJU-UHFFFAOYSA-N 0 1 248.374 2.310 20 0 BEADMN O=C(N[C@@H]1C=CCC1)c1cccc2nc[nH]c21 ZINC001640993997 1172211280 /nfs/dbraw/zinc/21/12/80/1172211280.db2.gz IHEYIPVTTFEDNS-SECBINFHSA-N 0 1 227.267 2.011 20 0 BEADMN CC1(C)COCCN1CCc1ccccc1 ZINC000168159090 134156001 /nfs/dbraw/zinc/15/60/01/134156001.db2.gz NDGPDGLMLLHGGD-UHFFFAOYSA-N 0 1 219.328 2.340 20 0 BEADMN CC[C@@H](O)CCCN[C@H](C)c1cscn1 ZINC000130198172 325023289 /nfs/dbraw/zinc/02/32/89/325023289.db2.gz BIFINKSJLDNJIA-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN CC[C@H](N[C@@H](C)C(C)(F)F)[C@@H]1CCOC1 ZINC000389482385 356689092 /nfs/dbraw/zinc/68/90/92/356689092.db2.gz HUVHHBHLGYNNKL-AEJSXWLSSA-N 0 1 221.291 2.435 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000450374348 202146912 /nfs/dbraw/zinc/14/69/12/202146912.db2.gz DZVSESVZIIHGRF-CHWSQXEVSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](N[C@@H](C)[C@H]1CCOC1)C(C)(F)F ZINC000389496200 356692056 /nfs/dbraw/zinc/69/20/56/356692056.db2.gz YQVGUCQCHAZPTP-YIZRAAEISA-N 0 1 207.264 2.045 20 0 BEADMN CCN(CC(C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000031377478 356694614 /nfs/dbraw/zinc/69/46/14/356694614.db2.gz WZPRCNGOZDLBRZ-UHFFFAOYSA-N 0 1 246.314 2.076 20 0 BEADMN C[C@H](NC[C@H]1CCSC1)C(C)(F)F ZINC000389463941 356681157 /nfs/dbraw/zinc/68/11/57/356681157.db2.gz GVHWPRFBGAUBHO-JGVFFNPUSA-N 0 1 209.305 2.373 20 0 BEADMN C[C@@H](NC[C@@H]1CCCOC1)C(C)(F)F ZINC000389478791 356684991 /nfs/dbraw/zinc/68/49/91/356684991.db2.gz CKSSCZZWQOHJHY-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN CC[C@@H](O)CC(=O)Nc1cccc(Cl)c1O ZINC000450414154 202157539 /nfs/dbraw/zinc/15/75/39/202157539.db2.gz XJWNWERSIWGWRC-SSDOTTSWSA-N 0 1 243.690 2.145 20 0 BEADMN Cc1cnccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776708 356722253 /nfs/dbraw/zinc/72/22/53/356722253.db2.gz PCTBMBKPPVPJFV-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CC[C@@H]1C(=O)NCCN1CCC1=CCCCC1 ZINC000450427382 202163904 /nfs/dbraw/zinc/16/39/04/202163904.db2.gz SGSIWRCQTNZQNV-CYBMUJFWSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000354266250 356733440 /nfs/dbraw/zinc/73/34/40/356733440.db2.gz CXERPHCDOXXRRM-JHJVBQTASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCN1Cc1ccn(CC(F)(F)F)n1 ZINC000450453863 202169324 /nfs/dbraw/zinc/16/93/24/202169324.db2.gz KFNSXSDYNRCTIO-SECBINFHSA-N 0 1 247.264 2.430 20 0 BEADMN COC(=O)CN(CC12CCC(CC1)C2)C1CC1 ZINC000450477539 202179904 /nfs/dbraw/zinc/17/99/04/202179904.db2.gz WUPXOSGAVZQWON-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN CO[C@@H]1CN(CC2CCC(C)CC2)CCO1 ZINC000639836710 356822795 /nfs/dbraw/zinc/82/27/95/356822795.db2.gz IYWNNBHRZPPEFY-BPCQOVAHSA-N 0 1 227.348 2.117 20 0 BEADMN Cc1cccc2nc(CNC(=O)[C@@H]3C[C@H]3C)[nH]c21 ZINC000155034756 538699756 /nfs/dbraw/zinc/69/97/56/538699756.db2.gz GMDRRBPZZSFCLF-NXEZZACHSA-N 0 1 243.310 2.144 20 0 BEADMN Cc1cccc2nc(CNC(=O)[C@@H]3C[C@@H]3C)[nH]c21 ZINC000155034518 538699943 /nfs/dbraw/zinc/69/99/43/538699943.db2.gz GMDRRBPZZSFCLF-VHSXEESVSA-N 0 1 243.310 2.144 20 0 BEADMN C[C@@H](CO)CNCc1c(F)ccc(F)c1Cl ZINC000623374137 356886309 /nfs/dbraw/zinc/88/63/09/356886309.db2.gz XLPRLRGPKUVTIZ-SSDOTTSWSA-N 0 1 249.688 2.336 20 0 BEADMN c1cnc([C@H]2CCCN2CC2CC2)nc1 ZINC000639845229 356842185 /nfs/dbraw/zinc/84/21/85/356842185.db2.gz IXHXCNVUVFIFDQ-LLVKDONJSA-N 0 1 203.289 2.024 20 0 BEADMN CC(C)C[C@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC000352739454 538725592 /nfs/dbraw/zinc/72/55/92/538725592.db2.gz NCCBNZAPKXWCIG-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN COC(=O)CN(CC12CCC(CC1)C2)C(C)C ZINC000450518672 202188912 /nfs/dbraw/zinc/18/89/12/202188912.db2.gz JSAYPLOHGFFIIW-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN COC(=O)C(C)(C)N(C)CC12CCC(CC1)C2 ZINC000450555718 202197433 /nfs/dbraw/zinc/19/74/33/202197433.db2.gz MHBAVMAEOZKYHK-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CCN(Cc1ccnn1C(C)C)C[C@@H](C)OC ZINC000361007950 356914011 /nfs/dbraw/zinc/91/40/11/356914011.db2.gz CHGKDQNJJLUQPT-GFCCVEGCSA-N 0 1 239.363 2.321 20 0 BEADMN CC(C)[C@H](NCc1cncn1C)c1cccnc1 ZINC000353563721 538748360 /nfs/dbraw/zinc/74/83/60/538748360.db2.gz GIDXFOJVDQREOS-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN C[C@@H](N[C@H](CO)CCC(C)(C)C)c1ncc[nH]1 ZINC000353592788 538751010 /nfs/dbraw/zinc/75/10/10/538751010.db2.gz KEVJPPQOSFCLEQ-MNOVXSKESA-N 0 1 239.363 2.248 20 0 BEADMN CCN(Cc1nc2ccccc2o1)[C@@H]1CCOC1 ZINC000361596295 356934824 /nfs/dbraw/zinc/93/48/24/356934824.db2.gz RXVUWQCOTIWDDL-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN Cc1cccc(OCCN[C@@H](C)c2ncc[nH]2)c1 ZINC000353399356 538739241 /nfs/dbraw/zinc/73/92/41/538739241.db2.gz CMKMGUJRUTYXPV-LBPRGKRZSA-N 0 1 245.326 2.448 20 0 BEADMN CCCC[C@@H](C)N(C)C(=O)C[N@@H+](C)CCC ZINC000359660597 356892902 /nfs/dbraw/zinc/89/29/02/356892902.db2.gz WGDPSJIOSWMBOW-GFCCVEGCSA-N 0 1 228.380 2.365 20 0 BEADMN Cc1cccc(OCCN[C@H](C)c2ncc[nH]2)c1 ZINC000353399355 538741087 /nfs/dbraw/zinc/74/10/87/538741087.db2.gz CMKMGUJRUTYXPV-GFCCVEGCSA-N 0 1 245.326 2.448 20 0 BEADMN C[C@H](NCCc1ccccc1O)c1ncc[nH]1 ZINC000353406272 538741389 /nfs/dbraw/zinc/74/13/89/538741389.db2.gz QDIRRWRUXWSYBS-JTQLQIEISA-N 0 1 231.299 2.009 20 0 BEADMN O=C(NC[C@H]1CC12CC2)c1n[nH]c2ccccc21 ZINC000583682235 356901556 /nfs/dbraw/zinc/90/15/56/356901556.db2.gz OTALEQGPNYWEEK-SECBINFHSA-N 0 1 241.294 2.093 20 0 BEADMN O=C(NC[C@@H]1CC12CC2)c1n[nH]c2ccccc21 ZINC000583682236 356901670 /nfs/dbraw/zinc/90/16/70/356901670.db2.gz OTALEQGPNYWEEK-VIFPVBQESA-N 0 1 241.294 2.093 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H](C)C(C)(C)C ZINC000399563592 356979305 /nfs/dbraw/zinc/97/93/05/356979305.db2.gz HNSCVQDZCFLVHA-VHSXEESVSA-N 0 1 215.337 2.162 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000450597034 202206421 /nfs/dbraw/zinc/20/64/21/202206421.db2.gz UUXRDAGQRMUJIS-VXNVDRBHSA-N 0 1 234.303 2.057 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000450597034 202206423 /nfs/dbraw/zinc/20/64/23/202206423.db2.gz UUXRDAGQRMUJIS-VXNVDRBHSA-N 0 1 234.303 2.057 20 0 BEADMN FCCCCN1CCC[C@@H]1c1ncccn1 ZINC000639869911 357021982 /nfs/dbraw/zinc/02/19/82/357021982.db2.gz NRXBUYCUKNMOFU-LLVKDONJSA-N 0 1 223.295 2.363 20 0 BEADMN CSCC[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000129918704 357043370 /nfs/dbraw/zinc/04/33/70/357043370.db2.gz JVYFSYHNCFQGMQ-SNVBAGLBSA-N 0 1 245.388 2.172 20 0 BEADMN CC[C@@H]1CCCCN1CC(=O)Nc1ccncc1 ZINC000120643646 357057373 /nfs/dbraw/zinc/05/73/73/357057373.db2.gz NABSVZZBDRDKGZ-CYBMUJFWSA-N 0 1 247.342 2.285 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C)o1 ZINC000389901037 357064148 /nfs/dbraw/zinc/06/41/48/357064148.db2.gz BWSPVQAIAKJBQH-JBLDHEPKSA-N 0 1 209.289 2.416 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1ccccc1F ZINC000389989989 357078613 /nfs/dbraw/zinc/07/86/13/357078613.db2.gz NVCIAVGOIZFCOU-RYUDHWBXSA-N 0 1 209.264 2.093 20 0 BEADMN CCc1nc(CN[C@H](COC)C2CC2)cs1 ZINC000156483651 538784740 /nfs/dbraw/zinc/78/47/40/538784740.db2.gz LXJMCBJTIOMRRK-LLVKDONJSA-N 0 1 240.372 2.220 20 0 BEADMN O=C([O-])C1([N@@H+](CCC2CC2)C2CC2)CCC1 ZINC000582371594 357114432 /nfs/dbraw/zinc/11/44/32/357114432.db2.gz FPZGRSWDJHEDQQ-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000390521070 357100558 /nfs/dbraw/zinc/10/05/58/357100558.db2.gz FKGWUGWICMBQBY-NWDGAFQWSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1ncn(C)n1 ZINC000391917726 357136877 /nfs/dbraw/zinc/13/68/77/357136877.db2.gz DKNMINYAYCUWCL-GARJFASQSA-N 0 1 236.363 2.290 20 0 BEADMN CC(C)(C)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC000356031203 538806071 /nfs/dbraw/zinc/80/60/71/538806071.db2.gz DUDZMQUGSGTJRW-NSHDSACASA-N 0 1 249.358 2.237 20 0 BEADMN CCc1nc(NC(=O)c2ccc(C)cc2C)n[nH]1 ZINC000122862499 357195291 /nfs/dbraw/zinc/19/52/91/357195291.db2.gz UXDDEZCKNNTNGX-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(C)cc2C)n1 ZINC000122862499 357195294 /nfs/dbraw/zinc/19/52/94/357195294.db2.gz UXDDEZCKNNTNGX-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN Fc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000628407394 357204756 /nfs/dbraw/zinc/20/47/56/357204756.db2.gz FOFJJOCZHAHZCE-AOOOYVTPSA-N 0 1 209.239 2.417 20 0 BEADMN CCc1nc(NC(=O)c2cccc(C)c2C)n[nH]1 ZINC000123294647 357220212 /nfs/dbraw/zinc/22/02/12/357220212.db2.gz XSWPPVXNGAVDCL-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cccc(C)c2C)n1 ZINC000123294647 357220214 /nfs/dbraw/zinc/22/02/14/357220214.db2.gz XSWPPVXNGAVDCL-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CC[C@@H](O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000305091586 357183704 /nfs/dbraw/zinc/18/37/04/357183704.db2.gz PYDXMKNMHNDSHZ-HUUCEWRRSA-N 0 1 249.354 2.005 20 0 BEADMN CC[C@@H](O)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000305091586 357183705 /nfs/dbraw/zinc/18/37/05/357183705.db2.gz PYDXMKNMHNDSHZ-HUUCEWRRSA-N 0 1 249.354 2.005 20 0 BEADMN C[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1C ZINC000639888157 357185966 /nfs/dbraw/zinc/18/59/66/357185966.db2.gz JHOLMEDPHVZWCP-RNFRBKRXSA-N 0 1 243.257 2.075 20 0 BEADMN Cc1noc(C)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631261819 357252751 /nfs/dbraw/zinc/25/27/51/357252751.db2.gz CNKFEJWBWQGARY-RKDXNWHRSA-N 0 1 234.221 2.332 20 0 BEADMN CCn1cc([C@@H](C)N[C@H]2CCC[C@H]2F)cn1 ZINC000393431357 357308837 /nfs/dbraw/zinc/30/88/37/357308837.db2.gz IULOCICEETWBMQ-JLLWLGSASA-N 0 1 225.311 2.444 20 0 BEADMN Cc1nocc1CSc1nc(C2CC2)n[nH]1 ZINC000582525018 357335000 /nfs/dbraw/zinc/33/50/00/357335000.db2.gz QWORVMGEWABCOA-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN Cc1nocc1CSc1n[nH]c(C2CC2)n1 ZINC000582525018 357335005 /nfs/dbraw/zinc/33/50/05/357335005.db2.gz QWORVMGEWABCOA-UHFFFAOYSA-N 0 1 236.300 2.271 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C)C1)c1cn2ccccc2n1 ZINC000582736203 357376513 /nfs/dbraw/zinc/37/65/13/357376513.db2.gz VGGXBBGDWFUSDG-GRYCIOLGSA-N 0 1 245.326 2.162 20 0 BEADMN COCCCN(C)Cc1c(C)nsc1C ZINC000582943048 357442635 /nfs/dbraw/zinc/44/26/35/357442635.db2.gz PFQJILHGVFDVJX-UHFFFAOYSA-N 0 1 228.361 2.228 20 0 BEADMN C[C@]12C[N@@H+](CCCC(=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000582946177 357443562 /nfs/dbraw/zinc/44/35/62/357443562.db2.gz ZCMIJVDAXMYGPQ-GFQSEFKGSA-N 0 1 237.343 2.219 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CC)C1 ZINC000216637895 357446928 /nfs/dbraw/zinc/44/69/28/357446928.db2.gz FKSVZXVOVDTFGO-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](F)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000582971416 357448261 /nfs/dbraw/zinc/44/82/61/357448261.db2.gz YEFOZPXJVBUOBJ-PWSUYJOCSA-N 0 1 231.311 2.167 20 0 BEADMN CCC[C@@H]1CN(CCCSC)CCO1 ZINC000131743669 325180940 /nfs/dbraw/zinc/18/09/40/325180940.db2.gz MXCZFHVOCUZZNE-LLVKDONJSA-N 0 1 217.378 2.240 20 0 BEADMN COC[C@H](C)CNc1cc2c(cn1)CCCC2 ZINC000583117836 357476072 /nfs/dbraw/zinc/47/60/72/357476072.db2.gz ZGDSEPFIPFFHFA-LLVKDONJSA-N 0 1 234.343 2.077 20 0 BEADMN Cc1ncc(CNc2cc3c(cn2)CCC3)n1C ZINC000583095112 357478973 /nfs/dbraw/zinc/47/89/73/357478973.db2.gz XDNPSYUOTJSICK-UHFFFAOYSA-N 0 1 242.326 2.224 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2COC(C)(C)C2)n1 ZINC000396517610 357481071 /nfs/dbraw/zinc/48/10/71/357481071.db2.gz SWVNGWYOXHLPSQ-LBPRGKRZSA-N 0 1 237.347 2.121 20 0 BEADMN CCCCC[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000396976400 357487802 /nfs/dbraw/zinc/48/78/02/357487802.db2.gz KKOANCVENLKUIR-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@@H](NCC(=O)NC(C)C)c1ccccn1 ZINC000158506061 538862326 /nfs/dbraw/zinc/86/23/26/538862326.db2.gz REOFRFSDFDJXAL-GFCCVEGCSA-N 0 1 249.358 2.037 20 0 BEADMN Cn1cc(CNCc2scnc2C2CC2)cn1 ZINC000486991076 538884514 /nfs/dbraw/zinc/88/45/14/538884514.db2.gz ZGRIKVJLHMXHDT-UHFFFAOYSA-N 0 1 248.355 2.044 20 0 BEADMN CC(C)n1ccc(CN[C@H]2CCO[C@H]2C2CC2)n1 ZINC000232830567 357685284 /nfs/dbraw/zinc/68/52/84/357685284.db2.gz HTPGYQHMBLXCGC-KBPBESRZSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@H](C1CC1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC000191237590 357759253 /nfs/dbraw/zinc/75/92/53/357759253.db2.gz FIDQSAJHYZMGJC-SNVBAGLBSA-N 0 1 236.363 2.263 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccco1 ZINC000583268238 357763332 /nfs/dbraw/zinc/76/33/32/357763332.db2.gz MLIOJUOEWYBEEU-UWVGGRQHSA-N 0 1 223.272 2.280 20 0 BEADMN CC[N@@H+](CC(N)=O)Cc1ccc(CC(C)C)cc1 ZINC000191736764 357792293 /nfs/dbraw/zinc/79/22/93/357792293.db2.gz KBVCALMMDTUZLJ-UHFFFAOYSA-N 0 1 248.370 2.192 20 0 BEADMN CCN(CC(N)=O)Cc1ccc(CC(C)C)cc1 ZINC000191736764 357792296 /nfs/dbraw/zinc/79/22/96/357792296.db2.gz KBVCALMMDTUZLJ-UHFFFAOYSA-N 0 1 248.370 2.192 20 0 BEADMN COC(=O)c1ccoc1CN(C)C1CCCC1 ZINC000055256146 363589423 /nfs/dbraw/zinc/58/94/23/363589423.db2.gz BXDBTUCPVZEKPL-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CCC(C)(C)CC[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000583275007 357798446 /nfs/dbraw/zinc/79/84/46/357798446.db2.gz XONIKMMEGNIWIO-SNVBAGLBSA-N 0 1 245.388 2.315 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1C[C@@H](C)C[C@H](C)C1 ZINC000191908541 357804283 /nfs/dbraw/zinc/80/42/83/357804283.db2.gz JNUJMSIWNAGURJ-DCAQKATOSA-N 0 1 249.362 2.047 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000191908553 357804297 /nfs/dbraw/zinc/80/42/97/357804297.db2.gz JNUJMSIWNAGURJ-MXWKQRLJSA-N 0 1 249.362 2.047 20 0 BEADMN CCOCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000583271989 357780457 /nfs/dbraw/zinc/78/04/57/357780457.db2.gz WKIUKQXXSABOBT-ZDUSSCGKSA-N 0 1 234.343 2.216 20 0 BEADMN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])o1 ZINC000235318181 357864792 /nfs/dbraw/zinc/86/47/92/357864792.db2.gz OAUUGUPAQQOGQS-BXKDBHETSA-N 0 1 237.299 2.273 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@](C)(CC)C1 ZINC000399358423 357904151 /nfs/dbraw/zinc/90/41/51/357904151.db2.gz FEMQVCOLUACBIR-PWSUYJOCSA-N 0 1 213.321 2.362 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CC)C1 ZINC000399358419 357904180 /nfs/dbraw/zinc/90/41/80/357904180.db2.gz FEMQVCOLUACBIR-CMPLNLGQSA-N 0 1 213.321 2.362 20 0 BEADMN CC/C=C\CC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000584416031 357915419 /nfs/dbraw/zinc/91/54/19/357915419.db2.gz IWHJEMYCVCYFBU-ANCZFUFASA-N 0 1 225.332 2.385 20 0 BEADMN CCCc1csc(CN[C@H]2CO[C@H](C)C2)n1 ZINC000583752633 357935146 /nfs/dbraw/zinc/93/51/46/357935146.db2.gz ULGJUJLXDINARJ-MWLCHTKSSA-N 0 1 240.372 2.363 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000021036234 357946766 /nfs/dbraw/zinc/94/67/66/357946766.db2.gz HELQEAWPHQKLAF-UHFFFAOYSA-N 0 1 207.273 2.225 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000584451712 357971405 /nfs/dbraw/zinc/97/14/05/357971405.db2.gz GGDGGIWJCCFXHC-NEPJUHHUSA-N 0 1 249.358 2.285 20 0 BEADMN CCC[N@@H+](CC)Cc1occc1C(=O)[O-] ZINC000035433031 357991992 /nfs/dbraw/zinc/99/19/92/357991992.db2.gz QSNCGNDDMPJEOD-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCCOC(C)(C)C)C(=O)[O-] ZINC000584475175 357992226 /nfs/dbraw/zinc/99/22/26/357992226.db2.gz WSPZQXHLIPZTBZ-NSHDSACASA-N 0 1 245.363 2.234 20 0 BEADMN Cc1nc([C@@H](C)N2CCC(CCF)CC2)n[nH]1 ZINC000639990195 358026785 /nfs/dbraw/zinc/02/67/85/358026785.db2.gz SWDLQQXIBUFEHY-SECBINFHSA-N 0 1 240.326 2.246 20 0 BEADMN Cc1nc([C@H](C)N2CCC(CCF)CC2)n[nH]1 ZINC000639990196 358027126 /nfs/dbraw/zinc/02/71/26/358027126.db2.gz SWDLQQXIBUFEHY-VIFPVBQESA-N 0 1 240.326 2.246 20 0 BEADMN O=C([O-])C[N@@H+](CCc1ccccc1)CC1CC1 ZINC000036885914 358055282 /nfs/dbraw/zinc/05/52/82/358055282.db2.gz ICIPRCARLNOCPB-UHFFFAOYSA-N 0 1 233.311 2.026 20 0 BEADMN C[C@H](NCc1cc[nH]n1)[C@@H]1COc2ccccc21 ZINC000169170615 134249601 /nfs/dbraw/zinc/24/96/01/134249601.db2.gz PWSWMOVKRFJDGN-GWCFXTLKSA-N 0 1 243.310 2.064 20 0 BEADMN CC(C)CNC(=O)CN1CCC(C(C)C)CC1 ZINC000075833603 325316158 /nfs/dbraw/zinc/31/61/58/325316158.db2.gz QMMFZSFCGPRLRA-UHFFFAOYSA-N 0 1 240.391 2.127 20 0 BEADMN CCC[N@@H+](CC)Cc1ccoc1C(=O)[O-] ZINC000037095272 358065012 /nfs/dbraw/zinc/06/50/12/358065012.db2.gz QZVCONBLDLYMAS-UHFFFAOYSA-N 0 1 211.261 2.210 20 0 BEADMN CC[N@@H+](Cc1ccoc1C(=O)[O-])C(C)C ZINC000037082498 358065100 /nfs/dbraw/zinc/06/51/00/358065100.db2.gz PKVWSFXGOGTBJL-UHFFFAOYSA-N 0 1 211.261 2.208 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000037110561 358065742 /nfs/dbraw/zinc/06/57/42/358065742.db2.gz KWOJVZXYSMVLMF-QMMMGPOBSA-N 0 1 211.261 2.208 20 0 BEADMN CC[N@H+](Cc1ccoc1C(=O)[O-])CC(C)C ZINC000037111852 358065998 /nfs/dbraw/zinc/06/59/98/358065998.db2.gz AGJUAAPVWKPEEO-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CNC(=O)CN(C)Cc1cccc2ccccc21 ZINC000053147442 358105800 /nfs/dbraw/zinc/10/58/00/358105800.db2.gz PDPRPTYESAKEOO-UHFFFAOYSA-N 0 1 242.322 2.018 20 0 BEADMN CN(C)CC(=O)N1CCC2(CCCCC2)CC1 ZINC000170776803 134253841 /nfs/dbraw/zinc/25/38/41/134253841.db2.gz RTSQOFSGCCLSHM-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cc1cccc([C@H]2CCCN2C(=O)CN(C)C)c1 ZINC000171390464 134256476 /nfs/dbraw/zinc/25/64/76/134256476.db2.gz UFOCVNWTUZGBCH-CQSZACIVSA-N 0 1 246.354 2.220 20 0 BEADMN CC[C@H](C)[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000170916053 134255436 /nfs/dbraw/zinc/25/54/36/134255436.db2.gz UEUFOMDRRMBGHS-CPCZMJQVSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@]1(O)CCCN(Cc2nc(C)oc2C)C1 ZINC000640036646 358137257 /nfs/dbraw/zinc/13/72/57/358137257.db2.gz VZMCCOPOLTVEEC-CYBMUJFWSA-N 0 1 238.331 2.028 20 0 BEADMN COc1cc(CN2CCC(C)(F)CC2)ccn1 ZINC000640071290 358164609 /nfs/dbraw/zinc/16/46/09/358164609.db2.gz IDPCIYQIERSXKC-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN Fc1ccc(CCNCc2cocn2)c(F)c1 ZINC000584801810 358182140 /nfs/dbraw/zinc/18/21/40/358182140.db2.gz KBIQFMCAXUTWFS-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CC[C@H](C)NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000171833793 134260893 /nfs/dbraw/zinc/26/08/93/134260893.db2.gz YUHGSUTXAYWZSB-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)NC(=O)CN1CCCC(C)(C)C1 ZINC000171833793 134260894 /nfs/dbraw/zinc/26/08/94/134260894.db2.gz YUHGSUTXAYWZSB-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](C1CCC1)N(C)Cc1cn(CC2CC2)nn1 ZINC000450654900 202229091 /nfs/dbraw/zinc/22/90/91/202229091.db2.gz RTCRJILQOFZEOU-NSHDSACASA-N 0 1 248.374 2.309 20 0 BEADMN O=c1nc(-c2ccncc2)[nH]c2ccsc21 ZINC000038953344 358213241 /nfs/dbraw/zinc/21/32/41/358213241.db2.gz XPRFQNUUMVQGSY-UHFFFAOYSA-N 0 1 229.264 2.047 20 0 BEADMN CN(CC1=CCCCC1)C[C@H](O)C(F)(F)F ZINC000450642786 202223070 /nfs/dbraw/zinc/22/30/70/202223070.db2.gz AARYFKCXVBLYQC-JTQLQIEISA-N 0 1 237.265 2.342 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CCSC2)n1 ZINC000223759991 358230169 /nfs/dbraw/zinc/23/01/69/358230169.db2.gz OZUQZXCESVOIOY-LLVKDONJSA-N 0 1 225.361 2.059 20 0 BEADMN CC[C@H](NCc1nccc(OC)n1)C(C)(C)C ZINC000450690210 202235200 /nfs/dbraw/zinc/23/52/00/202235200.db2.gz VCVXRLCXZQINFV-JTQLQIEISA-N 0 1 237.347 2.400 20 0 BEADMN C[C@@H]([NH2+]Cc1cnn[n-]1)[C@H](C)C1CCCCC1 ZINC000450728011 202250002 /nfs/dbraw/zinc/25/00/02/202250002.db2.gz NUCQAPXNRVNDLU-WDEREUQCSA-N 0 1 236.363 2.499 20 0 BEADMN CCC[C@H](O)CN[C@@H](CC)c1nccs1 ZINC000450728090 202249389 /nfs/dbraw/zinc/24/93/89/202249389.db2.gz NZQGYVJADMZUBY-UWVGGRQHSA-N 0 1 228.361 2.345 20 0 BEADMN CC(C)C[C@@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000450755632 202255492 /nfs/dbraw/zinc/25/54/92/202255492.db2.gz KMWONKBBIHYOII-DGCLKSJQSA-N 0 1 239.359 2.101 20 0 BEADMN CC(C)C[C@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000450755630 202256389 /nfs/dbraw/zinc/25/63/89/202256389.db2.gz KMWONKBBIHYOII-AAEUAGOBSA-N 0 1 239.359 2.101 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000450761331 202257679 /nfs/dbraw/zinc/25/76/79/202257679.db2.gz RDYJVAWNOVDMGA-GRYCIOLGSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@H]1CCC[C@@H](CN2CCn3nncc3C2)C1 ZINC000578206318 366391552 /nfs/dbraw/zinc/39/15/52/366391552.db2.gz OXZOKONHSFWNPV-QWHCGFSZSA-N 0 1 248.374 2.310 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000226445344 358340179 /nfs/dbraw/zinc/34/01/79/358340179.db2.gz RAUHHOUSJUHMBS-VXGBXAGGSA-N 0 1 233.311 2.463 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000227018634 358347343 /nfs/dbraw/zinc/34/73/43/358347343.db2.gz SSSXHDRLTJSDLC-LLPBQKLSSA-N 0 1 231.295 2.106 20 0 BEADMN CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000042585568 358352570 /nfs/dbraw/zinc/35/25/70/358352570.db2.gz FRKUYHHUBNVARW-ZJUUUORDSA-N 0 1 201.310 2.074 20 0 BEADMN Cc1cccnc1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000229294950 358375264 /nfs/dbraw/zinc/37/52/64/358375264.db2.gz CYNPPSLGCWAYBW-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN C[N@@H+](CCc1ccccc1C(=O)[O-])C1CCC1 ZINC000228515642 358377208 /nfs/dbraw/zinc/37/72/08/358377208.db2.gz DLKKICBASIROMV-UHFFFAOYSA-N 0 1 233.311 2.412 20 0 BEADMN Cc1ccncc1CNCc1ccncc1C ZINC000228660535 358382311 /nfs/dbraw/zinc/38/23/11/358382311.db2.gz VNUDOQWUKDHXAU-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000228613599 358381346 /nfs/dbraw/zinc/38/13/46/358381346.db2.gz NYXPBOFHHGOWAY-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831958 358364399 /nfs/dbraw/zinc/36/43/99/358364399.db2.gz CPGKFSNPFLFJJY-FZMZJTMJSA-N 0 1 248.326 2.329 20 0 BEADMN Cn1nccc1CNCc1ccc2[nH]ccc2c1 ZINC000229651408 358406303 /nfs/dbraw/zinc/40/63/03/358406303.db2.gz UMYWOEHQVLDOTE-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CC(C)C[C@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC000173905043 134278710 /nfs/dbraw/zinc/27/87/10/134278710.db2.gz MTITYAAJVPGFQX-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN CC1(c2noc(-c3ccc4cncn4c3)n2)CC1 ZINC000351176494 366439396 /nfs/dbraw/zinc/43/93/96/366439396.db2.gz QFCLHOBECUMPEC-UHFFFAOYSA-N 0 1 240.266 2.436 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000230801207 358411957 /nfs/dbraw/zinc/41/19/57/358411957.db2.gz CTWSYKGTWUCHNN-ZIAGYGMSSA-N 0 1 244.338 2.220 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1C=CCCC1 ZINC000230361043 358397757 /nfs/dbraw/zinc/39/77/57/358397757.db2.gz HSHBNKFPDLIYHM-WDEREUQCSA-N 0 1 211.305 2.280 20 0 BEADMN Cc1nnc(CN2CCC3(CCCC3)C2)o1 ZINC000174263143 134280233 /nfs/dbraw/zinc/28/02/33/134280233.db2.gz KJRVAZATRQTRMP-UHFFFAOYSA-N 0 1 221.304 2.144 20 0 BEADMN CCN(Cc1ccccc1)C(=O)c1ccn[nH]1 ZINC000042200714 358519108 /nfs/dbraw/zinc/51/91/08/358519108.db2.gz XFISHAPCYNJUFH-UHFFFAOYSA-N 0 1 229.283 2.072 20 0 BEADMN Cc1noc([C@@H](C)N2C[C@H](C)[C@H](C)C2)n1 ZINC000076111430 491132728 /nfs/dbraw/zinc/13/27/28/491132728.db2.gz JJOOCLOYDDYGDD-HRDYMLBCSA-N 0 1 209.293 2.027 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCC(C)(C)C ZINC000086257427 358548827 /nfs/dbraw/zinc/54/88/27/358548827.db2.gz FRQQRKVTAFGXTG-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000086270192 358560664 /nfs/dbraw/zinc/56/06/64/358560664.db2.gz SCAITQKBBQKADA-GARJFASQSA-N 0 1 213.321 2.216 20 0 BEADMN C[C@H](O)CCCN(C)Cc1ccccc1F ZINC000045620320 358564549 /nfs/dbraw/zinc/56/45/49/358564549.db2.gz GPWWTMFSBUHZFB-NSHDSACASA-N 0 1 225.307 2.419 20 0 BEADMN Cc1cnc([C@@H](NCc2cnc[nH]2)C2CC2)s1 ZINC000174545756 134282436 /nfs/dbraw/zinc/28/24/36/134282436.db2.gz YRQKLDIEHMWWJI-NSHDSACASA-N 0 1 248.355 2.416 20 0 BEADMN CCN(CC(=O)N[C@H](C)CCC(C)C)C1CC1 ZINC000046059080 358568516 /nfs/dbraw/zinc/56/85/16/358568516.db2.gz FUAVEUCSZBTGDG-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1cccc(F)c1F ZINC000042718256 358529530 /nfs/dbraw/zinc/52/95/30/358529530.db2.gz RDCZLYUWAIJFDC-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCCNC(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000129932940 358602239 /nfs/dbraw/zinc/60/22/39/358602239.db2.gz UYYWVBUCHBJOMG-UHFFFAOYSA-N 0 1 238.375 2.169 20 0 BEADMN CC1(C)[C@H](O)C[C@@H]1NCc1cc(F)ccc1F ZINC000129363737 358585436 /nfs/dbraw/zinc/58/54/36/358585436.db2.gz WLZIOUOWXVQILO-NWDGAFQWSA-N 0 1 241.281 2.214 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000228101018 358706371 /nfs/dbraw/zinc/70/63/71/358706371.db2.gz TUCGBUVFCOXHMO-KLFSZDKTSA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@@H](C)CN1CCOC[C@@H]1c1cccn1C ZINC000131602865 358686622 /nfs/dbraw/zinc/68/66/22/358686622.db2.gz HYOCPFQXLFXHTN-TZMCWYRMSA-N 0 1 236.359 2.445 20 0 BEADMN Cc1cc(CNC2C[C@@H](C)O[C@H](C)C2)no1 ZINC000133381650 358752498 /nfs/dbraw/zinc/75/24/98/358752498.db2.gz LMDVFOYLLCATNR-RKDXNWHRSA-N 0 1 224.304 2.029 20 0 BEADMN CCc1nc(CN[C@H]2CCCC[C@H]2O)cs1 ZINC000052015358 358771463 /nfs/dbraw/zinc/77/14/63/358771463.db2.gz HEDNWEFKODYRME-WDEREUQCSA-N 0 1 240.372 2.099 20 0 BEADMN CC(C)N(C)C(=O)CN(C)CCc1ccccc1 ZINC000051998272 358769656 /nfs/dbraw/zinc/76/96/56/358769656.db2.gz GGXYSUVWBKLIFK-UHFFFAOYSA-N 0 1 248.370 2.028 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000578242046 366468674 /nfs/dbraw/zinc/46/86/74/366468674.db2.gz HIBQXAVHZNPDTB-SECBINFHSA-N 0 1 223.272 2.208 20 0 BEADMN CCCNC(=O)CN(CC=C(C)C)CCC ZINC000052247059 358777564 /nfs/dbraw/zinc/77/75/64/358777564.db2.gz ATWPUIJRLHFYJJ-UHFFFAOYSA-N 0 1 226.364 2.191 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881488 358798855 /nfs/dbraw/zinc/79/88/55/358798855.db2.gz PRBZLMXDKKOWSR-SWLSCSKDSA-N 0 1 248.370 2.411 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881487 358798912 /nfs/dbraw/zinc/79/89/12/358798912.db2.gz PRBZLMXDKKOWSR-IUODEOHRSA-N 0 1 248.370 2.411 20 0 BEADMN CCC[C@@H](C)[C@H](CO)NCc1csc(C)n1 ZINC000564088835 358858008 /nfs/dbraw/zinc/85/80/08/358858008.db2.gz CXSZUEYCGYOBNC-SKDRFNHKSA-N 0 1 242.388 2.338 20 0 BEADMN CCC[C@@H](C)[C@@H](CO)NCc1csc(C)n1 ZINC000564088832 358858536 /nfs/dbraw/zinc/85/85/36/358858536.db2.gz CXSZUEYCGYOBNC-BXKDBHETSA-N 0 1 242.388 2.338 20 0 BEADMN CCN(CCCO)Cc1nc2ccccc2o1 ZINC000135419298 358837795 /nfs/dbraw/zinc/83/77/95/358837795.db2.gz VXAXSHJIHRMIEK-UHFFFAOYSA-N 0 1 234.299 2.032 20 0 BEADMN Cc1c([C@@H](C)NCc2cnccc2C)cnn1C ZINC000135450694 358838282 /nfs/dbraw/zinc/83/82/82/358838282.db2.gz IGXDUWXQJFRKAX-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN c1ccc(CCN2CCOCC23CCC3)cc1 ZINC000135509069 358840847 /nfs/dbraw/zinc/84/08/47/358840847.db2.gz RCWHBINBVZETCX-UHFFFAOYSA-N 0 1 231.339 2.484 20 0 BEADMN Cc1ccc(C)c([C@@H](C)NCc2cnnn2C)c1 ZINC000135844305 358852418 /nfs/dbraw/zinc/85/24/18/358852418.db2.gz JEEZJDQUPNLYCJ-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ccc(C)c([C@H](C)NCc2cnnn2C)c1 ZINC000135844343 358852474 /nfs/dbraw/zinc/85/24/74/358852474.db2.gz JEEZJDQUPNLYCJ-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCCCN(C)[C@H](C)C(=O)Nc1nccs1 ZINC000058595723 358912713 /nfs/dbraw/zinc/91/27/13/358912713.db2.gz KLEYLOYFFLVQJZ-SECBINFHSA-N 0 1 241.360 2.202 20 0 BEADMN c1ccc2c(c1)CC[C@H]2NCc1cnccn1 ZINC000054765627 358872973 /nfs/dbraw/zinc/87/29/73/358872973.db2.gz KAXWEAIAPSSMKG-CQSZACIVSA-N 0 1 225.295 2.254 20 0 BEADMN Cn1cc(CN2CC[C@@]2(C)C2CCCCC2)nn1 ZINC000640219516 358888356 /nfs/dbraw/zinc/88/83/56/358888356.db2.gz LXZAPIWEZQKCSQ-AWEZNQCLSA-N 0 1 248.374 2.360 20 0 BEADMN CC(C)CCOCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000056267249 358896158 /nfs/dbraw/zinc/89/61/58/358896158.db2.gz WPBXPRFLVZMQJK-BETUJISGSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000061363247 358932798 /nfs/dbraw/zinc/93/27/98/358932798.db2.gz NXXLTBOMBCZKLW-ZJUUUORDSA-N 0 1 240.372 2.312 20 0 BEADMN CCOC(=O)[C@@H](CC(C)C)N(CC)CC ZINC000182038388 535442872 /nfs/dbraw/zinc/44/28/72/535442872.db2.gz MWMFNGPYMHPWOL-LLVKDONJSA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1nccn1C ZINC000070445380 359055253 /nfs/dbraw/zinc/05/52/53/359055253.db2.gz ZKLDAJGETJZWHE-LBPRGKRZSA-N 0 1 239.363 2.133 20 0 BEADMN COC[C@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000247076036 359192476 /nfs/dbraw/zinc/19/24/76/359192476.db2.gz WVRKZHNDGVKGLY-TZMCWYRMSA-N 0 1 235.327 2.095 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@@H]1C ZINC000246496992 359127239 /nfs/dbraw/zinc/12/72/39/359127239.db2.gz ISGAHTMSIREDOI-MXWKQRLJSA-N 0 1 247.342 2.087 20 0 BEADMN CC[C@H]1CN(CCc2cccnc2)C[C@@H](C)O1 ZINC000246844293 359168942 /nfs/dbraw/zinc/16/89/42/359168942.db2.gz ZCDQUKCKCOGEDO-OCCSQVGLSA-N 0 1 234.343 2.123 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCCC[C@@H](SC)C1 ZINC000246863626 359171202 /nfs/dbraw/zinc/17/12/02/359171202.db2.gz PRMJVERDIFLEPZ-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@@H](O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000075710843 359204709 /nfs/dbraw/zinc/20/47/09/359204709.db2.gz TVIVOPPWNYTMBF-CFVMTHIKSA-N 0 1 249.354 2.219 20 0 BEADMN CC[C@@H](O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000075710840 359204862 /nfs/dbraw/zinc/20/48/62/359204862.db2.gz TVIVOPPWNYTMBF-NWANDNLSSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2N(C)C)[C@@H](C)CO1 ZINC000247346079 359214975 /nfs/dbraw/zinc/21/49/75/359214975.db2.gz ZCBJVTZKBZCMDQ-QWHCGFSZSA-N 0 1 248.370 2.362 20 0 BEADMN CCCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000247354123 359215905 /nfs/dbraw/zinc/21/59/05/359215905.db2.gz GVYLWFPQRLVKJX-JSGCOSHPSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247353176 359215950 /nfs/dbraw/zinc/21/59/50/359215950.db2.gz PLONZJZIILXWKY-MBNYWOFBSA-N 0 1 246.354 2.156 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247353176 359215953 /nfs/dbraw/zinc/21/59/53/359215953.db2.gz PLONZJZIILXWKY-MBNYWOFBSA-N 0 1 246.354 2.156 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@](C)(CC)C1 ZINC000247460137 359222653 /nfs/dbraw/zinc/22/26/53/359222653.db2.gz IHKQYGICXPBHAV-AAEUAGOBSA-N 0 1 227.348 2.450 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC(C)(C)C1 ZINC000076013769 359268746 /nfs/dbraw/zinc/26/87/46/359268746.db2.gz NCLITXZZMKHLCT-LLVKDONJSA-N 0 1 240.391 2.412 20 0 BEADMN CC1=CC[C@](C)(C(=O)N[C@@H](C)c2nnc[nH]2)CC1 ZINC000611706375 359425439 /nfs/dbraw/zinc/42/54/39/359425439.db2.gz OHFPRHWPYRWODP-GWCFXTLKSA-N 0 1 248.330 2.118 20 0 BEADMN CCC(=O)CCCN1CCO[C@](C)(CC)C1 ZINC000450823367 202275087 /nfs/dbraw/zinc/27/50/87/202275087.db2.gz CQARSANQFYABHX-CYBMUJFWSA-N 0 1 227.348 2.247 20 0 BEADMN CC1(C)CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000081353323 359753325 /nfs/dbraw/zinc/75/33/25/359753325.db2.gz HWUMIHISXFPTDQ-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000450831286 202280602 /nfs/dbraw/zinc/28/06/02/202280602.db2.gz SSOHDXNFPKUKMB-SRVKXCTJSA-N 0 1 227.348 2.243 20 0 BEADMN CCN1CCCN(CC2=CCCCC2)CC1=O ZINC000450830391 202282202 /nfs/dbraw/zinc/28/22/02/202282202.db2.gz QCIDELJUWSYHJJ-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN CC(C)C[C@@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000450844824 202285544 /nfs/dbraw/zinc/28/55/44/202285544.db2.gz QMGVXIJGHWELTR-FJJYHAOUSA-N 0 1 231.405 2.262 20 0 BEADMN CCC(=O)CCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000450884391 202296978 /nfs/dbraw/zinc/29/69/78/202296978.db2.gz RVGHMIWSQNGRIM-SMDDNHRTSA-N 0 1 239.359 2.245 20 0 BEADMN CN(Cc1ccnn1C)CC1=CCCCC1 ZINC000450889186 202297308 /nfs/dbraw/zinc/29/73/08/202297308.db2.gz PWGOIXOUVGYFRL-UHFFFAOYSA-N 0 1 219.332 2.352 20 0 BEADMN CCC1(CNC(=O)C2(N(C)C)CC2)CCCC1 ZINC000612398165 359825093 /nfs/dbraw/zinc/82/50/93/359825093.db2.gz PTEBKFGEZKJVLZ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCCc1nc(C)c(CN(C)[C@@H](CC)CO)o1 ZINC000451155435 202368108 /nfs/dbraw/zinc/36/81/08/202368108.db2.gz BIIZBFJCMRKGQW-NSHDSACASA-N 0 1 240.347 2.138 20 0 BEADMN CO[C@H](CN1CC[C@H](F)C1)c1ccccc1 ZINC000451196904 202376038 /nfs/dbraw/zinc/37/60/38/202376038.db2.gz NLXRWRZGKAHEEN-QWHCGFSZSA-N 0 1 223.291 2.418 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC000612600893 359907383 /nfs/dbraw/zinc/90/73/83/359907383.db2.gz MXXCMGVLQNMNNI-BXKDBHETSA-N 0 1 249.358 2.202 20 0 BEADMN O[C@@H](CCc1ccccc1)CN1CC[C@H](F)C1 ZINC000451197380 202377957 /nfs/dbraw/zinc/37/79/57/202377957.db2.gz OBUVXBPBVNOWLB-KBPBESRZSA-N 0 1 237.318 2.024 20 0 BEADMN O[C@@H](CCc1ccccc1)CN1CC[C@@H](F)C1 ZINC000451197381 202378828 /nfs/dbraw/zinc/37/88/28/202378828.db2.gz OBUVXBPBVNOWLB-KGLIPLIRSA-N 0 1 237.318 2.024 20 0 BEADMN COCc1cnc(CNC2CC=CC2)s1 ZINC000309185761 491145959 /nfs/dbraw/zinc/14/59/59/491145959.db2.gz OSPWGTNBVNVPBJ-UHFFFAOYSA-N 0 1 224.329 2.098 20 0 BEADMN C[C@H](c1nccc(N)n1)N1CC[C@H](CC2CC2)C1 ZINC000578664230 366623408 /nfs/dbraw/zinc/62/34/08/366623408.db2.gz GNUHNWIQZPKOFC-ZYHUDNBSSA-N 0 1 246.358 2.072 20 0 BEADMN CC(C)[C@H]1CC[C@@H]1NCc1ncccn1 ZINC000578644323 366612805 /nfs/dbraw/zinc/61/28/05/366612805.db2.gz VXSQJSFZDCQBKR-MNOVXSKESA-N 0 1 205.305 2.001 20 0 BEADMN CC[C@@H](N[C@@H](C)c1ccccc1F)C(=O)NC ZINC000451278142 202393327 /nfs/dbraw/zinc/39/33/27/202393327.db2.gz CCDMZXAXQXHEFO-JOYOIKCWSA-N 0 1 238.306 2.001 20 0 BEADMN Fc1ccccc1SCCc1c[nH]nn1 ZINC000578717387 366630380 /nfs/dbraw/zinc/63/03/80/366630380.db2.gz ITWNMGVBPUVAEG-UHFFFAOYSA-N 0 1 223.276 2.279 20 0 BEADMN CC1(C)C[N@@H+](CC2(C(=O)[O-])CC2)[C@H]2CCC[C@@H]21 ZINC000578756608 366639657 /nfs/dbraw/zinc/63/96/57/366639657.db2.gz YKAOUDVEWMJUKP-QWRGUYRKSA-N 0 1 237.343 2.362 20 0 BEADMN c1csc([C@H](N[C@H]2CC23CC3)c2nnc[nH]2)c1 ZINC000578878853 366664427 /nfs/dbraw/zinc/66/44/27/366664427.db2.gz JCJWWEIMRMDQAH-UWVGGRQHSA-N 0 1 246.339 2.098 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCCC23CC3)n1 ZINC000578911402 366673474 /nfs/dbraw/zinc/67/34/74/366673474.db2.gz ZKOSIMYXGHBBCD-NSHDSACASA-N 0 1 239.750 2.496 20 0 BEADMN Cn1cc(Cl)c(CN[C@@H]2CCCC23CC3)n1 ZINC000578911401 366674334 /nfs/dbraw/zinc/67/43/34/366674334.db2.gz ZKOSIMYXGHBBCD-LLVKDONJSA-N 0 1 239.750 2.496 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NCc1ncn(C)n1 ZINC000090969296 360094864 /nfs/dbraw/zinc/09/48/64/360094864.db2.gz IGMJQBYKSRIFFR-RYUDHWBXSA-N 0 1 236.363 2.120 20 0 BEADMN CC(C)=CCN1CCN(Cc2cccnc2)CC1 ZINC000091076508 360101247 /nfs/dbraw/zinc/10/12/47/360101247.db2.gz KIXUXNSWYXFAAP-UHFFFAOYSA-N 0 1 245.370 2.165 20 0 BEADMN CC(C)CCOCCN1CCOC[C@H]1C1CC1 ZINC000090008823 360054233 /nfs/dbraw/zinc/05/42/33/360054233.db2.gz JXJIFQTZBWWBTE-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000612841027 360104167 /nfs/dbraw/zinc/10/41/67/360104167.db2.gz WJBVUHXSXBCJJE-MNOVXSKESA-N 0 1 249.358 2.065 20 0 BEADMN CC(=O)Nc1cccc(CNCC(C)(C)F)c1 ZINC000631188294 360083121 /nfs/dbraw/zinc/08/31/21/360083121.db2.gz AFXNUUCUXFEOLW-UHFFFAOYSA-N 0 1 238.306 2.483 20 0 BEADMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc[nH]2)C12CCC2 ZINC000092040888 360147134 /nfs/dbraw/zinc/14/71/34/360147134.db2.gz SJCQEVKPFDQNBR-CHWSQXEVSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]cn2)C12CCC2 ZINC000092040888 360147139 /nfs/dbraw/zinc/14/71/39/360147139.db2.gz SJCQEVKPFDQNBR-CHWSQXEVSA-N 0 1 249.358 2.189 20 0 BEADMN CCO[C@@H]1C[C@@H](N(C)Cc2c[nH]cn2)C12CCC2 ZINC000092040888 360147146 /nfs/dbraw/zinc/14/71/46/360147146.db2.gz SJCQEVKPFDQNBR-CHWSQXEVSA-N 0 1 249.358 2.189 20 0 BEADMN CC(C)(F)CNCc1ccnn1CC1CC1 ZINC000631188668 360128461 /nfs/dbraw/zinc/12/84/61/360128461.db2.gz JGFQYGIRXIGQKY-UHFFFAOYSA-N 0 1 225.311 2.131 20 0 BEADMN Cc1noc([C@H]2CCCN(Cc3ccco3)C2)n1 ZINC000091833040 360131845 /nfs/dbraw/zinc/13/18/45/360131845.db2.gz RDSPVLZAYUCWJH-NSHDSACASA-N 0 1 247.298 2.351 20 0 BEADMN Cc1nc(C2CCN(Cc3ccco3)CC2)no1 ZINC000092787851 360198875 /nfs/dbraw/zinc/19/88/75/360198875.db2.gz INDBQHOJQLECPW-UHFFFAOYSA-N 0 1 247.298 2.351 20 0 BEADMN CCn1cc(CN2C[C@@H](C)S[C@H](C)C2)cn1 ZINC000092540455 360177879 /nfs/dbraw/zinc/17/78/79/360177879.db2.gz RXUPVBUEMXFEAH-GHMZBOCLSA-N 0 1 239.388 2.229 20 0 BEADMN c1cnn(C2CCN(Cc3cncs3)CC2)c1 ZINC000092617706 360186834 /nfs/dbraw/zinc/18/68/34/360186834.db2.gz VRDWUAVOFXAKLQ-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN CCC[C@@]1(C)CCCN(Cc2cnnn2C)C1 ZINC000093509029 360253020 /nfs/dbraw/zinc/25/30/20/360253020.db2.gz XWBPFELUEJSSAF-ZDUSSCGKSA-N 0 1 236.363 2.217 20 0 BEADMN CCN(Cc1nc2ccccc2[nH]1)CC(C)(C)O ZINC000092981921 360209008 /nfs/dbraw/zinc/20/90/08/360209008.db2.gz HBYPNMQMEWAMGM-UHFFFAOYSA-N 0 1 247.342 2.156 20 0 BEADMN CCCN(Cc1c[nH]cn1)C[C@H]1CCCCO1 ZINC000093132408 360219734 /nfs/dbraw/zinc/21/97/34/360219734.db2.gz IACHDGAFUKJCTR-CYBMUJFWSA-N 0 1 237.347 2.191 20 0 BEADMN Cc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)no1 ZINC000094424223 360307461 /nfs/dbraw/zinc/30/74/61/360307461.db2.gz DFJHZOHCKUXOHJ-LLVKDONJSA-N 0 1 238.331 2.419 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)o1 ZINC000094572753 360312861 /nfs/dbraw/zinc/31/28/61/360312861.db2.gz LMXMMVBZTIPFEX-PWSUYJOCSA-N 0 1 248.326 2.143 20 0 BEADMN C[C@@H]1CCCCCN1C(=O)c1ccc(CN)o1 ZINC000094572258 360313198 /nfs/dbraw/zinc/31/31/98/360313198.db2.gz ITBPAAQCQGYGMH-SNVBAGLBSA-N 0 1 236.315 2.143 20 0 BEADMN CCN(CC)CC(=O)N(C)c1ccccc1C ZINC000002033173 360420292 /nfs/dbraw/zinc/42/02/92/360420292.db2.gz MDHXWTMMRMVBKP-UHFFFAOYSA-N 0 1 234.343 2.300 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC12CC2 ZINC000633780757 360496300 /nfs/dbraw/zinc/49/63/00/360496300.db2.gz VAYPRJCSUNPBOI-JQWIXIFHSA-N 0 1 247.342 2.037 20 0 BEADMN CCC(NC(=O)[C@H](C)N(C)C)(C1CC1)C1CC1 ZINC000628607677 360569339 /nfs/dbraw/zinc/56/93/39/360569339.db2.gz ODIYQGJRRSWUCY-JTQLQIEISA-N 0 1 238.375 2.022 20 0 BEADMN CCC(C)(C)CCNC(=O)[C@@H]1CCCCN1C ZINC000633966267 360656484 /nfs/dbraw/zinc/65/64/84/360656484.db2.gz ACQHDVYVNXEPGF-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCN1CCC[C@H]1C(=O)NCC(F)(F)CC ZINC000628844850 360700471 /nfs/dbraw/zinc/70/04/71/360700471.db2.gz JKHIFJLIPOCEAW-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN Cc1cc(F)c(CN[C@H]2C[C@@H](CO)C2)c(F)c1 ZINC000631196898 360703720 /nfs/dbraw/zinc/70/37/20/360703720.db2.gz BNVJBIGPQKCWSI-AOOOYVTPSA-N 0 1 241.281 2.134 20 0 BEADMN C/C=C/CNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000629035584 360800614 /nfs/dbraw/zinc/80/06/14/360800614.db2.gz BHFDPJOQHFONLU-YVARQFDVSA-N 0 1 246.354 2.372 20 0 BEADMN NC(=O)c1cnccc1NCCC1=CCCC1 ZINC000302179104 181310382 /nfs/dbraw/zinc/31/03/82/181310382.db2.gz XOJVUHJFMDYEMV-UHFFFAOYSA-N 0 1 231.299 2.093 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@H]1C[C@@H]1C ZINC000629096738 360876377 /nfs/dbraw/zinc/87/63/77/360876377.db2.gz TVPAVEYFTVFKGD-JGVFFNPUSA-N 0 1 227.333 2.142 20 0 BEADMN CC[C@H](NC(=O)CN(C)C)c1cc(C)ccc1C ZINC000629109816 360880690 /nfs/dbraw/zinc/88/06/90/360880690.db2.gz MJGDTMDOMRHRHB-AWEZNQCLSA-N 0 1 248.370 2.432 20 0 BEADMN CCO[C@H](CSc1nnc(CC)[nH]1)C1CC1 ZINC000629111737 360881969 /nfs/dbraw/zinc/88/19/69/360881969.db2.gz NSQFMQPGNYLFJG-SECBINFHSA-N 0 1 241.360 2.274 20 0 BEADMN CCO[C@H](CSc1nc(CC)n[nH]1)C1CC1 ZINC000629111737 360881973 /nfs/dbraw/zinc/88/19/73/360881973.db2.gz NSQFMQPGNYLFJG-SECBINFHSA-N 0 1 241.360 2.274 20 0 BEADMN FC(F)Oc1ccccc1CNC1CSC1 ZINC000309625474 491153045 /nfs/dbraw/zinc/15/30/45/491153045.db2.gz IYFNFXICMBMNOR-UHFFFAOYSA-N 0 1 245.294 2.493 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1C[C@@H]1C ZINC000629360223 361007409 /nfs/dbraw/zinc/00/74/09/361007409.db2.gz NIUOBTZHOCFYML-WDEREUQCSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@H]1C[C@@H]1C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000629362176 361011468 /nfs/dbraw/zinc/01/14/68/361011468.db2.gz OUJYTZQBKRZBTO-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000629363731 361014252 /nfs/dbraw/zinc/01/42/52/361014252.db2.gz IBLHXHPLWSZRJS-QKCSRTOESA-N 0 1 245.322 2.326 20 0 BEADMN C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1C(=O)[O-] ZINC000629365411 361019074 /nfs/dbraw/zinc/01/90/74/361019074.db2.gz VWKLXJYFCBYDRU-JQWIXIFHSA-N 0 1 239.359 2.465 20 0 BEADMN CCCC[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629373984 361023891 /nfs/dbraw/zinc/02/38/91/361023891.db2.gz RLRZTCYMVDUBPP-WOPDTQHZSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C[C@H]1CCCN1c1cc[nH+]cc1Cl ZINC000629381118 361028209 /nfs/dbraw/zinc/02/82/09/361028209.db2.gz AOEQTPJTDVNTLU-MRVPVSSYSA-N 0 1 240.690 2.179 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@H]1C ZINC000629485699 361092922 /nfs/dbraw/zinc/09/29/22/361092922.db2.gz WSUACQZZCKDOCW-GMTAPVOTSA-N 0 1 213.321 2.216 20 0 BEADMN O=C(Nc1cccc2[nH]nnc21)[C@@]12C[C@@H]1CCC2 ZINC000640379551 361188830 /nfs/dbraw/zinc/18/88/30/361188830.db2.gz OZIZYAOUALXILS-SDBXPKJASA-N 0 1 242.282 2.087 20 0 BEADMN CC(C)[C@H](C)C(=O)Nc1cccc2[nH]nnc21 ZINC000640380641 361189740 /nfs/dbraw/zinc/18/97/40/361189740.db2.gz VYMRXPMDMFSRQO-QMMMGPOBSA-N 0 1 232.287 2.189 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH]nnc21 ZINC000640378555 361191375 /nfs/dbraw/zinc/19/13/75/361191375.db2.gz DITWEMKECZEBRI-RKDXNWHRSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@H]1CCCN(CC(=O)Nc2ccncc2)CC1 ZINC000171054644 361285019 /nfs/dbraw/zinc/28/50/19/361285019.db2.gz CWVGYDHAPNRHGU-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000578995900 366689180 /nfs/dbraw/zinc/68/91/80/366689180.db2.gz YBWWTRGENLWKEB-SNVBAGLBSA-N 0 1 247.285 2.361 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000578995889 366689301 /nfs/dbraw/zinc/68/93/01/366689301.db2.gz YBWWTRGENLWKEB-JTQLQIEISA-N 0 1 247.285 2.361 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1C[C@H]2C[C@@]2(O)C1 ZINC000640478602 361256158 /nfs/dbraw/zinc/25/61/58/361256158.db2.gz WQDNXHPEGSHGSE-IRUJWGPZSA-N 0 1 237.730 2.468 20 0 BEADMN CN(Cc1cnn(C)c1)Cc1ccccc1 ZINC000066564782 361306244 /nfs/dbraw/zinc/30/62/44/361306244.db2.gz QWMFNGGOZZSBAG-UHFFFAOYSA-N 0 1 215.300 2.052 20 0 BEADMN CCc1nc(C)c(CN(C)[C@H]2CCSC2)o1 ZINC000428288386 201005097 /nfs/dbraw/zinc/00/50/97/201005097.db2.gz RNXYSRVDLICNNQ-JTQLQIEISA-N 0 1 240.372 2.483 20 0 BEADMN CC1(C)CN(CC2(F)CC2)[C@@H]1[C@H]1CCCO1 ZINC000579180827 366727282 /nfs/dbraw/zinc/72/72/82/366727282.db2.gz FAABICHLVAARMX-GHMZBOCLSA-N 0 1 227.323 2.378 20 0 BEADMN CCN(C[C@@H]1CCCO1)[C@@H](C)c1cnc(C)cn1 ZINC000428414216 201013794 /nfs/dbraw/zinc/01/37/94/201013794.db2.gz OMRHGEQTECTRJH-STQMWFEESA-N 0 1 249.358 2.347 20 0 BEADMN CCn1nncc1CN(C)[C@@H](C)C(C)(C)C ZINC000579203829 366732673 /nfs/dbraw/zinc/73/26/73/366732673.db2.gz IJLJGAHNFUFOGR-JTQLQIEISA-N 0 1 224.352 2.164 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000428431482 201015743 /nfs/dbraw/zinc/01/57/43/201015743.db2.gz UHTLAMABIFEMBY-OLZOCXBDSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC000428436983 201016174 /nfs/dbraw/zinc/01/61/74/201016174.db2.gz DMFXLOPPFDDQIM-LLVKDONJSA-N 0 1 222.336 2.268 20 0 BEADMN CCCc1nc(C)c(CN(CC)CCOC)o1 ZINC000428438704 201018598 /nfs/dbraw/zinc/01/85/98/201018598.db2.gz AKRHARDTEUYDHF-UHFFFAOYSA-N 0 1 240.347 2.404 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@H]2CCCCO2)cn1 ZINC000428456066 201019091 /nfs/dbraw/zinc/01/90/91/201019091.db2.gz GYJJMLGOTQNIBG-CHWSQXEVSA-N 0 1 249.358 2.347 20 0 BEADMN CC1(C)CCC[C@@](O)(CNCc2cocn2)C1 ZINC000428559234 201028362 /nfs/dbraw/zinc/02/83/62/201028362.db2.gz KZCPEZSDNOLJLA-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN CCc1nc(C)c(CN[C@@]2(C)CCO[C@H]2C)o1 ZINC000428940688 201049339 /nfs/dbraw/zinc/04/93/39/201049339.db2.gz RJBVJZUKEKEDSP-GWCFXTLKSA-N 0 1 238.331 2.203 20 0 BEADMN Cc1cc(=O)n(Cc2cccc3cccnc32)[nH]1 ZINC000614188961 363750128 /nfs/dbraw/zinc/75/01/28/363750128.db2.gz HNAWYZLDUXZXAG-UHFFFAOYSA-N 0 1 239.278 2.343 20 0 BEADMN CCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640610281 361332902 /nfs/dbraw/zinc/33/29/02/361332902.db2.gz VOCNUDCGMBEPSD-TXEJJXNPSA-N 0 1 226.364 2.118 20 0 BEADMN CCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640619211 361333991 /nfs/dbraw/zinc/33/39/91/361333991.db2.gz GYSACFVHEZPQKV-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1[C@H](C)CN(C(=O)CCC2CC2)C[C@@H]1C ZINC000640618224 361334351 /nfs/dbraw/zinc/33/43/51/361334351.db2.gz XNRGGJPDOVZDAK-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCCC[C@H]1OCCNCc1ncc[nH]1 ZINC000067692453 370695011 /nfs/dbraw/zinc/69/50/11/370695011.db2.gz FDRRETCHNKCHOW-VXGBXAGGSA-N 0 1 237.347 2.095 20 0 BEADMN Cc1nc(C(C)C)oc1CN(C)CCCCO ZINC000428952892 201051466 /nfs/dbraw/zinc/05/14/66/201051466.db2.gz DRUJRNDLTJDBKS-UHFFFAOYSA-N 0 1 240.347 2.311 20 0 BEADMN c1c[nH]c(CNCCSCc2ccccc2)n1 ZINC000067667092 370693346 /nfs/dbraw/zinc/69/33/46/370693346.db2.gz DDCKTIJHZQFDCX-UHFFFAOYSA-N 0 1 247.367 2.433 20 0 BEADMN CC(C)CCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000429056102 201061643 /nfs/dbraw/zinc/06/16/43/201061643.db2.gz YASRCWKZLQDWKA-RYUDHWBXSA-N 0 1 249.420 2.176 20 0 BEADMN Cn1ccnc1CN(C1CCC1)C1CCC1 ZINC000429117537 201068552 /nfs/dbraw/zinc/06/85/52/201068552.db2.gz UVIGBPNMAYCWJG-UHFFFAOYSA-N 0 1 219.332 2.327 20 0 BEADMN C[C@@H](N[C@@H](CO)CC(F)F)c1ccccc1F ZINC000429463955 201110741 /nfs/dbraw/zinc/11/07/41/201110741.db2.gz IEYNZNZDGHGKJE-RKDXNWHRSA-N 0 1 247.260 2.492 20 0 BEADMN CC[C@H]1CCN1Cc1cccc(OC)n1 ZINC000429293114 201094615 /nfs/dbraw/zinc/09/46/15/201094615.db2.gz YRXHBAQNMPMWLE-NSHDSACASA-N 0 1 206.289 2.075 20 0 BEADMN C[C@@H]1CCC[C@@H](CCN2CCc3nn[nH]c3C2)C1 ZINC000429307236 201098093 /nfs/dbraw/zinc/09/80/93/201098093.db2.gz NZNMICLKBJYKGO-NEPJUHHUSA-N 0 1 248.374 2.379 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)CC(=O)c2cccn2C)C1 ZINC000429560871 201115507 /nfs/dbraw/zinc/11/55/07/201115507.db2.gz OQMYARFVSGDCSI-VXGBXAGGSA-N 0 1 234.343 2.328 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(COC)no1 ZINC000181329608 366803988 /nfs/dbraw/zinc/80/39/88/366803988.db2.gz OZADGQVUATYVKD-GUBZILKMSA-N 0 1 241.335 2.301 20 0 BEADMN CCN(CC(C)C)[C@@H](C)c1nc(COC)no1 ZINC000181546457 366825348 /nfs/dbraw/zinc/82/53/48/366825348.db2.gz HMGPSUXXNRQTOC-JTQLQIEISA-N 0 1 241.335 2.255 20 0 BEADMN CCc1noc([C@H](C)N[C@@H]2CCC[C@H]2C)n1 ZINC000381567972 361480880 /nfs/dbraw/zinc/48/08/80/361480880.db2.gz VMRIHINHRVHHSS-KXUCPTDWSA-N 0 1 223.320 2.471 20 0 BEADMN CCC[C@H](OCC)c1nc([C@@H]2CCCN2)no1 ZINC000629675316 361598369 /nfs/dbraw/zinc/59/83/69/361598369.db2.gz PDKGBPZNDOAKLO-UWVGGRQHSA-N 0 1 239.319 2.372 20 0 BEADMN C[C@@H](Cc1nc([C@H]2CCCN2)no1)c1ccco1 ZINC000629675427 361598867 /nfs/dbraw/zinc/59/88/67/361598867.db2.gz SIQNKFDLLSIWOV-VHSXEESVSA-N 0 1 247.298 2.433 20 0 BEADMN CC[C@H](CNCc1nc2c(s1)CCC2)OC ZINC000309991564 491159582 /nfs/dbraw/zinc/15/95/82/491159582.db2.gz BGCSZGUGJHREKU-SECBINFHSA-N 0 1 240.372 2.146 20 0 BEADMN CC[C@H](C(=O)OC)N1CCSC(C)(C)CC1 ZINC000434713377 201237149 /nfs/dbraw/zinc/23/71/49/201237149.db2.gz ZQEMVNSBXYFFOD-SNVBAGLBSA-N 0 1 245.388 2.156 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@@H](C)N1 ZINC000154248294 201272215 /nfs/dbraw/zinc/27/22/15/201272215.db2.gz WUWQRDIEZFTQGJ-VXGBXAGGSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1oncc1-c1cccc([C@@H]2COCCN2)c1 ZINC000629713779 361654215 /nfs/dbraw/zinc/65/42/15/361654215.db2.gz ULJVQXAJGIYVQC-AWEZNQCLSA-N 0 1 244.294 2.311 20 0 BEADMN COc1ccnc(NCc2ccc(OC)nc2)c1 ZINC000436020560 201306608 /nfs/dbraw/zinc/30/66/08/201306608.db2.gz ZRQSJXGJBZGVLY-UHFFFAOYSA-N 0 1 245.282 2.106 20 0 BEADMN Cc1cnc(C(=O)Nc2ccccc2O)c(O)c1 ZINC000436554105 201332055 /nfs/dbraw/zinc/33/20/55/201332055.db2.gz HQGFDBDQADGCPH-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1CCC=C(C)C1 ZINC000436260825 201317580 /nfs/dbraw/zinc/31/75/80/201317580.db2.gz NFAFKVSQMCHNJZ-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN C[C@H](NC(=O)C1(N(C)C)CC1)c1ccsc1 ZINC000614521799 363834938 /nfs/dbraw/zinc/83/49/38/363834938.db2.gz SWJBNZZJLUSMFQ-VIFPVBQESA-N 0 1 238.356 2.020 20 0 BEADMN C[C@@H](NC(=O)C1(N(C)C)CC1)c1ccsc1 ZINC000614521789 363835094 /nfs/dbraw/zinc/83/50/94/363835094.db2.gz SWJBNZZJLUSMFQ-SECBINFHSA-N 0 1 238.356 2.020 20 0 BEADMN CCN(CC(=O)N[C@](C)(CC)C1CC1)C1CC1 ZINC000618952909 363914221 /nfs/dbraw/zinc/91/42/21/363914221.db2.gz BOBHAGYHCCJSRR-CQSZACIVSA-N 0 1 238.375 2.166 20 0 BEADMN CCOCc1csc([C@H]2CCCCN2)n1 ZINC000630381418 364095871 /nfs/dbraw/zinc/09/58/71/364095871.db2.gz OCRJOHQCKUENMI-SNVBAGLBSA-N 0 1 226.345 2.494 20 0 BEADMN NCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000083960553 181355955 /nfs/dbraw/zinc/35/59/55/181355955.db2.gz GATVKQCFYZEJEM-UHFFFAOYSA-N 0 1 247.323 2.071 20 0 BEADMN CCNCc1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000630602285 364319142 /nfs/dbraw/zinc/31/91/42/364319142.db2.gz BOKKLLHWVJQJQO-LLVKDONJSA-N 0 1 222.336 2.139 20 0 BEADMN NCc1nccn1CC1CCC(F)(F)CC1 ZINC000630584285 364288924 /nfs/dbraw/zinc/28/89/24/364288924.db2.gz UXUOPUUSHJHUHI-UHFFFAOYSA-N 0 1 229.274 2.167 20 0 BEADMN CCNCc1cn([C@@H](C)c2ccccc2F)nn1 ZINC000630612927 364341613 /nfs/dbraw/zinc/34/16/13/364341613.db2.gz DUANBKVKICHQML-JTQLQIEISA-N 0 1 248.305 2.136 20 0 BEADMN CCOC(=O)[C@@H](C)N1CC[C@H](CC(C)C)C1 ZINC000074994315 364302322 /nfs/dbraw/zinc/30/23/22/364302322.db2.gz BCMWQCUGCPCGER-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CNC(C)(C)c1cn([C@H]2CC[C@@H](C)C2)nn1 ZINC000630601945 364316752 /nfs/dbraw/zinc/31/67/52/364316752.db2.gz DDMIXYKELFYHDL-ZJUUUORDSA-N 0 1 222.336 2.094 20 0 BEADMN CN[C@H](C)c1cn([C@H]2CCC(C)(C)C2)nn1 ZINC000630602162 364318553 /nfs/dbraw/zinc/31/85/53/364318553.db2.gz AHSGQUHRXQNRRE-ZJUUUORDSA-N 0 1 222.336 2.310 20 0 BEADMN CN[C@@H](C)c1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000630602161 364318729 /nfs/dbraw/zinc/31/87/29/364318729.db2.gz AHSGQUHRXQNRRE-VHSXEESVSA-N 0 1 222.336 2.310 20 0 BEADMN CC(C)(C)c1nc[nH]c1C(=O)Nc1ccccn1 ZINC000630635590 364366988 /nfs/dbraw/zinc/36/69/88/364366988.db2.gz GGYADYWRTDPBPM-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@H](C)c1cc(C)on1 ZINC000453341538 202745267 /nfs/dbraw/zinc/74/52/67/202745267.db2.gz CIRQMKMXNUSLAX-SCVCMEIPSA-N 0 1 226.320 2.183 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1ccccc1OC ZINC000579545984 366860860 /nfs/dbraw/zinc/86/08/60/366860860.db2.gz OXECAJNUKOIEDT-UHFFFAOYSA-N 0 1 246.314 2.148 20 0 BEADMN CC[C@H](C)N(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630875376 364719872 /nfs/dbraw/zinc/71/98/72/364719872.db2.gz VMWIXGVYNDBCEB-LURJTMIESA-N 0 1 249.236 2.299 20 0 BEADMN CCc1nc(CNC[C@H](OC)C(C)C)cs1 ZINC000266622493 364726205 /nfs/dbraw/zinc/72/62/05/364726205.db2.gz MAQWIUAJZITLMZ-NSHDSACASA-N 0 1 242.388 2.466 20 0 BEADMN CCc1nc(CNCc2ccc(C)c(C)c2)n[nH]1 ZINC000296015280 364781981 /nfs/dbraw/zinc/78/19/81/364781981.db2.gz LYVYBAFZHWYVPR-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN C/C=C/C=C\c1nc(C2(N)CCCC2)no1 ZINC000573564493 364863670 /nfs/dbraw/zinc/86/36/70/364863670.db2.gz ULHCDLKPUQMESP-SWBALALESA-N 0 1 219.288 2.387 20 0 BEADMN C[C@H](C[N@@H+](CCC(F)(F)F)C1CC1)C(=O)[O-] ZINC000573618984 364876803 /nfs/dbraw/zinc/87/68/03/364876803.db2.gz NMEFJTWCOORESI-SSDOTTSWSA-N 0 1 239.237 2.124 20 0 BEADMN Cc1noc(C)c1CNCCOCC1CCC1 ZINC000573859171 364931801 /nfs/dbraw/zinc/93/18/01/364931801.db2.gz KASRIXPWMWTEIT-UHFFFAOYSA-N 0 1 238.331 2.198 20 0 BEADMN CC(C)OCCC[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000573864462 364935480 /nfs/dbraw/zinc/93/54/80/364935480.db2.gz LNZCVHPUZWPMOC-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CCc1nnc(CN[C@@H]2CC3CCC2CC3)o1 ZINC000574139411 364993673 /nfs/dbraw/zinc/99/36/73/364993673.db2.gz GDZMLZWEUZWPCJ-VQXHTEKXSA-N 0 1 235.331 2.300 20 0 BEADMN C[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000574039656 364973493 /nfs/dbraw/zinc/97/34/93/364973493.db2.gz NSLLCLQXUVPDMB-UWVGGRQHSA-N 0 1 213.321 2.075 20 0 BEADMN COCC1(NCc2cnc(C(C)(C)C)nc2)CC1 ZINC000574062749 364980082 /nfs/dbraw/zinc/98/00/82/364980082.db2.gz XHXALKRWVQCGGH-UHFFFAOYSA-N 0 1 249.358 2.043 20 0 BEADMN C[C@@H]1CC[C@H]([N@H+](C)Cc2ncccc2[O-])C1 ZINC000574198890 365008297 /nfs/dbraw/zinc/00/82/97/365008297.db2.gz HLSALHCUJNQIEH-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2ncccc2[O-])C1 ZINC000574198890 365008301 /nfs/dbraw/zinc/00/83/01/365008301.db2.gz HLSALHCUJNQIEH-MNOVXSKESA-N 0 1 220.316 2.408 20 0 BEADMN Cc1nc2cc(N[C@@H](C)[C@@H](C)O)ccc2n1C ZINC000574192768 365008570 /nfs/dbraw/zinc/00/85/70/365008570.db2.gz LBSOCQMCZGQPRV-DTWKUNHWSA-N 0 1 233.315 2.063 20 0 BEADMN C[C@]12C[C@H]1CCC[C@H]2NCc1ncccn1 ZINC000574220651 365014552 /nfs/dbraw/zinc/01/45/52/365014552.db2.gz OGGNDIGLPYZTJQ-WZRBSPASSA-N 0 1 217.316 2.145 20 0 BEADMN CCCCN(CC)Cc1snnc1C ZINC000574389670 365049864 /nfs/dbraw/zinc/04/98/64/365049864.db2.gz IBHQURMKKVACEN-UHFFFAOYSA-N 0 1 213.350 2.469 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@H](C)F ZINC000574524655 365072455 /nfs/dbraw/zinc/07/24/55/365072455.db2.gz FVIOMQRGVFLZIJ-UWVGGRQHSA-N 0 1 219.300 2.166 20 0 BEADMN CC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000574286169 365029185 /nfs/dbraw/zinc/02/91/85/365029185.db2.gz WWTUFTHLUZLRIE-SNVBAGLBSA-N 0 1 249.310 2.042 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](CCC)C1 ZINC000574645134 365111569 /nfs/dbraw/zinc/11/15/69/365111569.db2.gz SMYXMLQIUTWZQP-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](CCC)C1 ZINC000574645134 365111573 /nfs/dbraw/zinc/11/15/73/365111573.db2.gz SMYXMLQIUTWZQP-NEPJUHHUSA-N 0 1 243.347 2.131 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NCc1ccn(C)n1 ZINC000574645885 365111586 /nfs/dbraw/zinc/11/15/86/365111586.db2.gz UIHZBUQUZUWBAU-QWHCGFSZSA-N 0 1 221.348 2.334 20 0 BEADMN CC1CC(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000622241722 370791783 /nfs/dbraw/zinc/79/17/83/370791783.db2.gz RIDUOTQNALXFEB-UHFFFAOYSA-N 0 1 243.310 2.339 20 0 BEADMN CC(C)OCCN1CCO[C@H](C(C)(C)C)C1 ZINC000575082854 365190822 /nfs/dbraw/zinc/19/08/22/365190822.db2.gz VRARYCDNHRTHFY-LBPRGKRZSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)c1cc(C(=O)N2CC(CC3CC3)C2)n[nH]1 ZINC000622251458 370803504 /nfs/dbraw/zinc/80/35/04/370803504.db2.gz XPIPATGZMOXOIS-UHFFFAOYSA-N 0 1 247.342 2.405 20 0 BEADMN CCc1nnc(SCCC2CCOCC2)[nH]1 ZINC000575106232 365200922 /nfs/dbraw/zinc/20/09/22/365200922.db2.gz GQBLRFWOLKWHBW-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN CCc1n[nH]c(SCCC2CCOCC2)n1 ZINC000575106232 365200927 /nfs/dbraw/zinc/20/09/27/365200927.db2.gz GQBLRFWOLKWHBW-UHFFFAOYSA-N 0 1 241.360 2.276 20 0 BEADMN C[C@@H]1CN(C)CCN1c1ccnc2ccsc21 ZINC000443447075 193021005 /nfs/dbraw/zinc/02/10/05/193021005.db2.gz VROQCYNZAUKKOV-SNVBAGLBSA-N 0 1 247.367 2.437 20 0 BEADMN CCc1nnc(SCCCOC(C)C)[nH]1 ZINC000171505762 365205736 /nfs/dbraw/zinc/20/57/36/365205736.db2.gz NZQGCNYQPXRKJU-UHFFFAOYSA-N 0 1 229.349 2.274 20 0 BEADMN CCc1n[nH]c(SCCCOC(C)C)n1 ZINC000171505762 365205744 /nfs/dbraw/zinc/20/57/44/365205744.db2.gz NZQGCNYQPXRKJU-UHFFFAOYSA-N 0 1 229.349 2.274 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC000444492919 193048044 /nfs/dbraw/zinc/04/80/44/193048044.db2.gz ZOFTWWLWFFRBPN-STQMWFEESA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1CCCN(Cc2ncccn2)CC1 ZINC000192030296 365270528 /nfs/dbraw/zinc/27/05/28/365270528.db2.gz UMIZHDJVNRGJAB-LBPRGKRZSA-N 0 1 219.332 2.489 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2ncccn2)C1 ZINC000192050682 365271797 /nfs/dbraw/zinc/27/17/97/365271797.db2.gz DEXZOGZJGWWEEW-MNOVXSKESA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000580531451 365329922 /nfs/dbraw/zinc/32/99/22/365329922.db2.gz MWZBBEGSAUXLIX-VIFPVBQESA-N 0 1 247.342 2.290 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000575323453 365289429 /nfs/dbraw/zinc/28/94/29/365289429.db2.gz VLKXLAJCHHECCU-CYBMUJFWSA-N 0 1 235.327 2.270 20 0 BEADMN CC1(CC(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000575431395 365319591 /nfs/dbraw/zinc/31/95/91/365319591.db2.gz ZMXZLPWUSRPVGG-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN C[C@@H]1OCC[C@H]1NCc1noc2ccccc21 ZINC000575761510 365357115 /nfs/dbraw/zinc/35/71/15/365357115.db2.gz CWHORRUIRVLIQY-GXSJLCMTSA-N 0 1 232.283 2.095 20 0 BEADMN CO[C@H]1C[C@H]2C[C@@H](NCC(C)(F)F)C[C@H]2C1 ZINC000579581258 366887352 /nfs/dbraw/zinc/88/73/52/366887352.db2.gz BFOAUUDNPQNFOZ-DTIDVZRVSA-N 0 1 233.302 2.435 20 0 BEADMN CCc1nc(NC(=O)c2cc(C)ccc2F)n[nH]1 ZINC000182242897 366877483 /nfs/dbraw/zinc/87/74/83/366877483.db2.gz DHNUEGSVJRLYEW-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2cc(C)ccc2F)n1 ZINC000182242897 366877486 /nfs/dbraw/zinc/87/74/86/366877486.db2.gz DHNUEGSVJRLYEW-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1nc(NC(=O)c2ccc(F)cc2C)n[nH]1 ZINC000182257539 366879397 /nfs/dbraw/zinc/87/93/97/366879397.db2.gz RZZRNXIKYOBRFT-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(F)cc2C)n1 ZINC000182257539 366879404 /nfs/dbraw/zinc/87/94/04/366879404.db2.gz RZZRNXIKYOBRFT-UHFFFAOYSA-N 0 1 248.261 2.067 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000172873920 365386210 /nfs/dbraw/zinc/38/62/10/365386210.db2.gz WVUUVZVEQBCRAE-ONGXEEELSA-N 0 1 235.331 2.161 20 0 BEADMN CC[C@@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000575861374 365388765 /nfs/dbraw/zinc/38/87/65/365388765.db2.gz CUHOKDZVWVHDMJ-GHMZBOCLSA-N 0 1 234.347 2.072 20 0 BEADMN CC[N@@H+](CCc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000575874579 365400204 /nfs/dbraw/zinc/40/02/04/365400204.db2.gz DRNXHJAPTZFXHU-CQSZACIVSA-N 0 1 247.338 2.414 20 0 BEADMN Fc1ccc(CN2C3CCC2CC3)nc1 ZINC000576084577 365476457 /nfs/dbraw/zinc/47/64/57/365476457.db2.gz APSPLAXPLKKZHP-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCc2ccsc2C1 ZINC000576114081 365491939 /nfs/dbraw/zinc/49/19/39/365491939.db2.gz KJAGGCHHDAJSGF-SNVBAGLBSA-N 0 1 239.340 2.360 20 0 BEADMN C[C@H](CNCc1ncc[nH]1)Oc1ccccc1F ZINC000174602094 365498652 /nfs/dbraw/zinc/49/86/52/365498652.db2.gz NTQQQAAQYAHPMY-SNVBAGLBSA-N 0 1 249.289 2.106 20 0 BEADMN C[C@@H](CNCc1ncc[nH]1)Oc1ccccc1F ZINC000174602079 365498903 /nfs/dbraw/zinc/49/89/03/365498903.db2.gz NTQQQAAQYAHPMY-JTQLQIEISA-N 0 1 249.289 2.106 20 0 BEADMN CC(C)CC[N@@H+](Cc1cnc[nH]1)C1CC1 ZINC000180022998 541506137 /nfs/dbraw/zinc/50/61/37/541506137.db2.gz LMBMNMSRCXJYIT-UHFFFAOYSA-N 0 1 207.321 2.420 20 0 BEADMN CC[C@H]1CCC[C@H](CN(C)Cc2nnc[nH]2)C1 ZINC000183085088 366975549 /nfs/dbraw/zinc/97/55/49/366975549.db2.gz XRRYRWZWILODSO-RYUDHWBXSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@H](CN(C)Cc1cncnc1)c1nccs1 ZINC000183249654 367005473 /nfs/dbraw/zinc/00/54/73/367005473.db2.gz UTKUHXIPVZGDAP-SNVBAGLBSA-N 0 1 248.355 2.169 20 0 BEADMN CCC[C@@H](C)CN1CC[NH+](CCC)CC1 ZINC000183445956 367024569 /nfs/dbraw/zinc/02/45/69/367024569.db2.gz XBQZXSZMMPODDJ-CYBMUJFWSA-N 0 1 212.381 2.450 20 0 BEADMN Cc1cc(CN2CC(CF)C2)cc(C)c1O ZINC000579808836 367017337 /nfs/dbraw/zinc/01/73/37/367017337.db2.gz NVKBJUGEQBTMOH-UHFFFAOYSA-N 0 1 223.291 2.410 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)[nH]n1 ZINC000183362858 367017370 /nfs/dbraw/zinc/01/73/70/367017370.db2.gz ZHDFSWWYEWSCRO-HOSYDEDBSA-N 0 1 249.358 2.202 20 0 BEADMN CC(=O)c1cc(CN2C[C@H](C)CC2(C)C)on1 ZINC000579849363 367048778 /nfs/dbraw/zinc/04/87/78/367048778.db2.gz UOUBVNRTZQJYGY-SECBINFHSA-N 0 1 236.315 2.498 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH2+]C2(C3CC3)CC2)n1 ZINC000581111787 367060060 /nfs/dbraw/zinc/06/00/60/367060060.db2.gz JPSRPCLMOPRKLF-VIFPVBQESA-N 0 1 233.315 2.084 20 0 BEADMN CC[C@@H]1[C@@H](C)CCN1Cc1nc(C2CC2)nn1C ZINC000580772206 367161430 /nfs/dbraw/zinc/16/14/30/367161430.db2.gz WTZDXLBFNINHHE-CMPLNLGQSA-N 0 1 248.374 2.313 20 0 BEADMN CC[N@@H+](CCCSCC(C)C)CC(=O)[O-] ZINC000580778921 367163476 /nfs/dbraw/zinc/16/34/76/367163476.db2.gz TWXKUTJOEDPGNR-UHFFFAOYSA-N 0 1 233.377 2.172 20 0 BEADMN CCCN(CC)C(=O)c1ccc(CN(C)C)nc1 ZINC000622300204 370829940 /nfs/dbraw/zinc/82/99/40/370829940.db2.gz DCJWGRFNBQXSAK-UHFFFAOYSA-N 0 1 249.358 2.015 20 0 BEADMN C[C@@H](F)CC[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000580904141 367203825 /nfs/dbraw/zinc/20/38/25/367203825.db2.gz DCMMFPXBGIRNMS-RKDXNWHRSA-N 0 1 217.284 2.062 20 0 BEADMN C[C@@H]1CC[C@@H]1NC(=O)c1ccc(F)cc1O ZINC000380666109 367270377 /nfs/dbraw/zinc/27/03/77/367270377.db2.gz YXKBTGGMSUTYEX-XCBNKYQSSA-N 0 1 223.247 2.060 20 0 BEADMN COC[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000193898758 367226169 /nfs/dbraw/zinc/22/61/69/367226169.db2.gz AUQVDSALHSOBST-SNVBAGLBSA-N 0 1 234.299 2.295 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000581196829 367290332 /nfs/dbraw/zinc/29/03/32/367290332.db2.gz QUCBKGKKLWYKBA-NXEZZACHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H]1CN(Cc2cccn2C)CC(C)(C)O1 ZINC000194500430 367298511 /nfs/dbraw/zinc/29/85/11/367298511.db2.gz QAQBIUGALFGHSA-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN CCn1ccnc1CNCC1(C(F)F)CC1 ZINC000381482264 367416775 /nfs/dbraw/zinc/41/67/75/367416775.db2.gz TXGARESAVCASHA-UHFFFAOYSA-N 0 1 229.274 2.038 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H]1CCCc2occc21 ZINC000381297996 367376651 /nfs/dbraw/zinc/37/66/51/367376651.db2.gz HFVMADOFVWHCBO-DMDPSCGWSA-N 0 1 221.300 2.424 20 0 BEADMN CCC[C@H](C(=O)OCC)N1CCC=C(C)C1 ZINC000382505174 367531103 /nfs/dbraw/zinc/53/11/03/367531103.db2.gz VDULGCODMLOELH-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1cccc(C)c1F ZINC000581528997 367550987 /nfs/dbraw/zinc/55/09/87/367550987.db2.gz VRPGHNGFHXDQLI-NWDGAFQWSA-N 0 1 223.291 2.401 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000382336161 367508787 /nfs/dbraw/zinc/50/87/87/367508787.db2.gz YGPILXGVZSEGEI-WEDXCCLWSA-N 0 1 212.243 2.386 20 0 BEADMN CC(C)(C)c1cnc(CN[C@@H]2CC[C@H]2O)s1 ZINC000382340824 367509301 /nfs/dbraw/zinc/50/93/01/367509301.db2.gz ZRNIEXOKZORXKY-RKDXNWHRSA-N 0 1 240.372 2.054 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@H](SC)C1 ZINC000382933835 367570117 /nfs/dbraw/zinc/57/01/17/367570117.db2.gz GOTWUPXZVKTOLP-WDEREUQCSA-N 0 1 245.388 2.156 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CC[C@H](SC)C1 ZINC000382933834 367570634 /nfs/dbraw/zinc/57/06/34/367570634.db2.gz GOTWUPXZVKTOLP-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC(F)(F)C1)C1CCCC1 ZINC000383077801 367593058 /nfs/dbraw/zinc/59/30/58/367593058.db2.gz SFBQZKMQRHDVNM-UHFFFAOYSA-N 0 1 247.285 2.361 20 0 BEADMN Cc1nccc(NC[C@@H](C)CCCO)c1Cl ZINC000384400590 367689376 /nfs/dbraw/zinc/68/93/76/367689376.db2.gz PEBHSCKQKAMLRT-VIFPVBQESA-N 0 1 242.750 2.286 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)[C@H](C)O1 ZINC000384834847 367739986 /nfs/dbraw/zinc/73/99/86/367739986.db2.gz YMZZNVKLWMELOW-KZZRWZIVSA-N 0 1 235.331 2.044 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)[C@H](C)O1 ZINC000384834848 367740191 /nfs/dbraw/zinc/74/01/91/367740191.db2.gz YMZZNVKLWMELOW-LDMBFOFVSA-N 0 1 235.331 2.044 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)n3ccnc32)[C@@H](C)O1 ZINC000384834849 367740319 /nfs/dbraw/zinc/74/03/19/367740319.db2.gz YMZZNVKLWMELOW-MTVMDMGHSA-N 0 1 235.331 2.044 20 0 BEADMN CC(C)n1ccc(CN[C@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000384927452 367758790 /nfs/dbraw/zinc/75/87/90/367758790.db2.gz RYDAEDRCRHRVHJ-MDZLAQPJSA-N 0 1 237.347 2.120 20 0 BEADMN C[C@@H]([N@@H+](C)CC1(CC(=O)[O-])CC1)C1(C)CC1 ZINC000385249025 367813583 /nfs/dbraw/zinc/81/35/83/367813583.db2.gz HCRHPJAOJZDGEB-SNVBAGLBSA-N 0 1 225.332 2.362 20 0 BEADMN CCn1ccnc1CNC[C@@H]1CCCC1(F)F ZINC000385165986 367803866 /nfs/dbraw/zinc/80/38/66/367803866.db2.gz FQKYYIIDHDTGFJ-JTQLQIEISA-N 0 1 243.301 2.428 20 0 BEADMN CC[N@@H+](CCC1=CCCCC1)CC(=O)[O-] ZINC000385218714 367809236 /nfs/dbraw/zinc/80/92/36/367809236.db2.gz RHNLKQKVMYDWPU-UHFFFAOYSA-N 0 1 211.305 2.283 20 0 BEADMN Cc1csc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000385208995 367809276 /nfs/dbraw/zinc/80/92/76/367809276.db2.gz RNWFRHHRLAAKMQ-OPRDCNLKSA-N 0 1 226.345 2.107 20 0 BEADMN CC/C=C/CNCc1cc(OC)ns1 ZINC000399179215 367851885 /nfs/dbraw/zinc/85/18/85/367851885.db2.gz QQYFCAMACIGROA-SNAWJCMRSA-N 0 1 212.318 2.208 20 0 BEADMN Cc1cnc(CNC[C@@H](O)CCC(C)C)s1 ZINC000581880100 367866102 /nfs/dbraw/zinc/86/61/02/367866102.db2.gz RCHGUJNSCNSBGD-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN CC(C)(CO)CCNCc1ncc(Cl)s1 ZINC000385876006 367873508 /nfs/dbraw/zinc/87/35/08/367873508.db2.gz KCJWVAXGRWFWLB-UHFFFAOYSA-N 0 1 248.779 2.295 20 0 BEADMN O=C(CCc1cnc[nH]1)N[C@H](C1CC1)C1CCC1 ZINC000581987371 368051690 /nfs/dbraw/zinc/05/16/90/368051690.db2.gz MKDGLPYJZCBCJV-AWEZNQCLSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@H]2C)CCN1 ZINC000582001457 368118757 /nfs/dbraw/zinc/11/87/57/368118757.db2.gz SEMUMFZKWUKFHS-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])C1CC1)C(C)(C)C ZINC000399545113 368176307 /nfs/dbraw/zinc/17/63/07/368176307.db2.gz BJMICHZRYYODBF-MWLCHTKSSA-N 0 1 227.348 2.464 20 0 BEADMN O=C(c1cccc2c[nH]nc21)N1CCCCC1 ZINC000030797843 368248709 /nfs/dbraw/zinc/24/87/09/368248709.db2.gz FVOKGLMKULVNDY-UHFFFAOYSA-N 0 1 229.283 2.189 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)C1(N(C)C)CC1 ZINC000615698892 368210834 /nfs/dbraw/zinc/21/08/34/368210834.db2.gz QWLUCHRNPALSDG-LBPRGKRZSA-N 0 1 238.375 2.332 20 0 BEADMN O=C(NCc1ccc2nc[nH]c2c1)C1=CCCC1 ZINC000615790487 368308063 /nfs/dbraw/zinc/30/80/63/368308063.db2.gz WPLZCUKMHMBJSG-UHFFFAOYSA-N 0 1 241.294 2.289 20 0 BEADMN CC1(CC(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000615793279 368312042 /nfs/dbraw/zinc/31/20/42/368312042.db2.gz WTXVNHAPSBCBHM-UHFFFAOYSA-N 0 1 243.310 2.369 20 0 BEADMN C[C@@H](CNC(=O)C1CCC1)[N@H+]1CCCC[C@H]1C ZINC000043084761 368392715 /nfs/dbraw/zinc/39/27/15/368392715.db2.gz JEWCUENTKGXNFS-NEPJUHHUSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)C[C@H]1CC ZINC000566670528 326072448 /nfs/dbraw/zinc/07/24/48/326072448.db2.gz GYUISNPWASUAFI-RWMBFGLXSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCN(C)CC(=O)Nc1ccc(F)cc1 ZINC000057832647 368500857 /nfs/dbraw/zinc/50/08/57/368500857.db2.gz LGBZAXMGBWJDBT-UHFFFAOYSA-N 0 1 238.306 2.496 20 0 BEADMN CC(C)[N@@H+](CCCc1ccsc1)CC(=O)[O-] ZINC000455632108 202889187 /nfs/dbraw/zinc/88/91/87/202889187.db2.gz FJGJGHBJAYGMGU-UHFFFAOYSA-N 0 1 241.356 2.476 20 0 BEADMN CN1CCN(c2nccc3ccc(F)cc32)CC1 ZINC000059854889 368534205 /nfs/dbraw/zinc/53/42/05/368534205.db2.gz LWMOLLDYISCLGM-UHFFFAOYSA-N 0 1 245.301 2.126 20 0 BEADMN CCn1ccnc1CN1C[C@H](C)C[C@H](C)C1 ZINC000060339994 368539015 /nfs/dbraw/zinc/53/90/15/368539015.db2.gz GZNSQAVSRSNUKZ-TXEJJXNPSA-N 0 1 221.348 2.381 20 0 BEADMN c1cc(-c2noc([C@H]3CCCCCN3)n2)ccn1 ZINC000080988770 368563363 /nfs/dbraw/zinc/56/33/63/368563363.db2.gz VQOXQUWPSSBNRN-LLVKDONJSA-N 0 1 244.298 2.336 20 0 BEADMN COCCCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063587619 368589473 /nfs/dbraw/zinc/58/94/73/368589473.db2.gz HAKKJMBSJHLHMO-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN CCN(CCc1ccccc1)CC(=O)NC(C)C ZINC000066864845 368665356 /nfs/dbraw/zinc/66/53/56/368665356.db2.gz ZUOMJLYKJFTNDZ-UHFFFAOYSA-N 0 1 248.370 2.076 20 0 BEADMN CC(C)N(Cc1nnnn1C1CC1)C1CCCC1 ZINC000068449308 368727016 /nfs/dbraw/zinc/72/70/16/368727016.db2.gz XXEVYINPIMKDBD-UHFFFAOYSA-N 0 1 249.362 2.161 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)C1CCC1 ZINC000457297534 203034669 /nfs/dbraw/zinc/03/46/69/203034669.db2.gz RGPVFIVCZNNGQG-UHFFFAOYSA-N 0 1 227.210 2.409 20 0 BEADMN Cc1nc2c(n1C[C@@H]1CCO[C@@H]1C)CCCC2 ZINC000631021021 370915977 /nfs/dbraw/zinc/91/59/77/370915977.db2.gz HMZNRPFZKAQFSA-PWSUYJOCSA-N 0 1 234.343 2.495 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)[C@@H]1CCCN1C ZINC000457205334 203019110 /nfs/dbraw/zinc/01/91/10/203019110.db2.gz BWJWNGWSTMMOSH-MNOVXSKESA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc(CC(=O)N[C@H](C)CC(C)(C)C)[nH]n1 ZINC000457212702 203019961 /nfs/dbraw/zinc/01/99/61/203019961.db2.gz GWMIQGMIUGZPPT-SNVBAGLBSA-N 0 1 237.347 2.202 20 0 BEADMN Cc1cccc(CSc2cn[nH]n2)c1 ZINC000071258129 368771580 /nfs/dbraw/zinc/77/15/80/368771580.db2.gz XKQFKGOVHPXXPV-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN Cc1occc1C[N@H+](C)CC1(CC(=O)[O-])CC1 ZINC000088256110 368908786 /nfs/dbraw/zinc/90/87/86/368908786.db2.gz BZKSYQAYDPDWLM-UHFFFAOYSA-N 0 1 237.299 2.275 20 0 BEADMN CC(C)CC[C@@H](CO)NCc1nccs1 ZINC000623646612 368968662 /nfs/dbraw/zinc/96/86/62/368968662.db2.gz KIUJUJLCHWKFOW-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN C[C@@](N)(C(=O)N[C@@H]1CC=CCC1)c1ccccc1 ZINC000088748405 368926216 /nfs/dbraw/zinc/92/62/16/368926216.db2.gz NFYCNGHXFIRTKO-HIFRSBDPSA-N 0 1 244.338 2.085 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H](C2CCCCC2)C1 ZINC000618182885 369079644 /nfs/dbraw/zinc/07/96/44/369079644.db2.gz QDVWJAOBKGDUHE-GFCCVEGCSA-N 0 1 247.342 2.452 20 0 BEADMN CN(CC1CN(C)C1)C(=O)C(C)(C)C(C)(C)C ZINC000618190213 369082927 /nfs/dbraw/zinc/08/29/27/369082927.db2.gz LAOBHQQICWTGGD-UHFFFAOYSA-N 0 1 240.391 2.079 20 0 BEADMN CC(C)(C)C1CC(C(=O)NCc2cnc[nH]2)C1 ZINC000457566074 203076213 /nfs/dbraw/zinc/07/62/13/203076213.db2.gz DBNCUQTVKHUBFX-UHFFFAOYSA-N 0 1 235.331 2.098 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N(C)CC1CN(C)C1 ZINC000618190875 369083092 /nfs/dbraw/zinc/08/30/92/369083092.db2.gz KDGKSRFFYBDSST-LLVKDONJSA-N 0 1 240.391 2.079 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)C2CCC2)n[nH]1 ZINC000457665750 203086936 /nfs/dbraw/zinc/08/69/36/203086936.db2.gz KMUMVSAVKPOXTB-KOLCDFICSA-N 0 1 249.358 2.202 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)C2CCC2)n[nH]1 ZINC000457665752 203087803 /nfs/dbraw/zinc/08/78/03/203087803.db2.gz KMUMVSAVKPOXTB-MWLCHTKSSA-N 0 1 249.358 2.202 20 0 BEADMN CCN(CC(=O)N[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC000458117332 203135162 /nfs/dbraw/zinc/13/51/62/203135162.db2.gz JGDGOQKUEISQND-JSGCOSHPSA-N 0 1 238.375 2.022 20 0 BEADMN CC1(C)CCC[C@@](CO)(NCc2cocn2)C1 ZINC000623668250 369194126 /nfs/dbraw/zinc/19/41/26/369194126.db2.gz DVWBVEMIUVDGMF-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000618871170 369231649 /nfs/dbraw/zinc/23/16/49/369231649.db2.gz ORRIVUCELZMYQG-CMPLNLGQSA-N 0 1 247.342 2.134 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CC1 ZINC000618871172 369231929 /nfs/dbraw/zinc/23/19/29/369231929.db2.gz ORRIVUCELZMYQG-PWSUYJOCSA-N 0 1 247.342 2.134 20 0 BEADMN CC[C@](C)(NC(=O)c1[nH]nc(C)c1C)C1CC1 ZINC000618952784 369245306 /nfs/dbraw/zinc/24/53/06/369245306.db2.gz KKXNISGEVAJEKD-ZDUSSCGKSA-N 0 1 235.331 2.335 20 0 BEADMN CCN(CC(=O)N(C)C)[C@@H]1CCc2ccccc21 ZINC000618986660 369253332 /nfs/dbraw/zinc/25/33/32/369253332.db2.gz ZDVWLZWIEFSHBJ-CQSZACIVSA-N 0 1 246.354 2.084 20 0 BEADMN COCC[N@@H+](CCOCC1CCCC1)C1CC1 ZINC000459291128 203248029 /nfs/dbraw/zinc/24/80/29/203248029.db2.gz CCYLZWHDDHSFGV-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN NC(=O)[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC000459302213 203249417 /nfs/dbraw/zinc/24/94/17/203249417.db2.gz SBOIXKHRLHVEMD-AWEZNQCLSA-N 0 1 244.338 2.014 20 0 BEADMN CCN(Cc1cnc(C2CC2)nc1)C1CC1 ZINC000459310613 203253417 /nfs/dbraw/zinc/25/34/17/203253417.db2.gz WNUQYFUOVDLOAP-UHFFFAOYSA-N 0 1 217.316 2.338 20 0 BEADMN CC(C)OC1CC(N2CCO[C@@H](C(C)C)C2)C1 ZINC000459402028 203273677 /nfs/dbraw/zinc/27/36/77/203273677.db2.gz OOLURUUIZMVGAT-JXQTWKCFSA-N 0 1 241.375 2.299 20 0 BEADMN COCc1cc(CNCCC2CCCC2)no1 ZINC000459392244 203273813 /nfs/dbraw/zinc/27/38/13/203273813.db2.gz QCDCPMXZMKVQCD-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN CCN(CC(=O)OC)CC1CCC(F)(F)CC1 ZINC000459339374 203260116 /nfs/dbraw/zinc/26/01/16/203260116.db2.gz NRMAUFOKSVAZMM-UHFFFAOYSA-N 0 1 249.301 2.307 20 0 BEADMN CCn1nncc1CNC(C)(C)c1ccccc1 ZINC000459343615 203261263 /nfs/dbraw/zinc/26/12/63/203261263.db2.gz STZDSUJKNFFVSP-UHFFFAOYSA-N 0 1 244.342 2.323 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H]1C ZINC000459358653 203269382 /nfs/dbraw/zinc/26/93/82/203269382.db2.gz NAVMVYHAHXKYPT-NXEZZACHSA-N 0 1 247.342 2.290 20 0 BEADMN Cc1cc(CNCCCc2nccs2)no1 ZINC000459474986 203286292 /nfs/dbraw/zinc/28/62/92/203286292.db2.gz KHHMTCYHOHBYKY-UHFFFAOYSA-N 0 1 237.328 2.162 20 0 BEADMN CCN(CCC1CC1)Cc1cc(COC)on1 ZINC000459473463 203287884 /nfs/dbraw/zinc/28/78/84/203287884.db2.gz CYAMJGZPQBYYEV-UHFFFAOYSA-N 0 1 238.331 2.443 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@@H]2C[C@@H]2C1 ZINC000619365455 369326103 /nfs/dbraw/zinc/32/61/03/369326103.db2.gz FLSNCVMBVFGFMQ-RKDXNWHRSA-N 0 1 235.258 2.013 20 0 BEADMN Cc1cc(CNC[C@H](C)c2nccs2)no1 ZINC000459482305 203289087 /nfs/dbraw/zinc/28/90/87/203289087.db2.gz LUFQUYKTCPFIIB-QMMMGPOBSA-N 0 1 237.328 2.333 20 0 BEADMN COCc1cc(CN[C@@H]2CC23CCCC3)no1 ZINC000459501552 203293737 /nfs/dbraw/zinc/29/37/37/203293737.db2.gz FIMLNBWEPHHLHV-GFCCVEGCSA-N 0 1 236.315 2.243 20 0 BEADMN CO[C@@H](CNCc1cc(C)on1)C(C)(C)C ZINC000459408726 203277067 /nfs/dbraw/zinc/27/70/67/203277067.db2.gz AFUWIRWEZLKZDV-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN COCc1cc(CNCC2(C)CCCC2)no1 ZINC000459408530 203277659 /nfs/dbraw/zinc/27/76/59/203277659.db2.gz GTAVLMYGWYJTMA-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN Cc1cc(CNC[C@]2(C)CCCC[C@H]2O)no1 ZINC000459429679 203280309 /nfs/dbraw/zinc/28/03/09/203280309.db2.gz QCUUDWGCGGLVLN-OLZOCXBDSA-N 0 1 238.331 2.014 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CC[C@@H]2C[C@@H]2C1 ZINC000619339057 369313425 /nfs/dbraw/zinc/31/34/25/369313425.db2.gz KTFPPTGWEAKNFM-NXEZZACHSA-N 0 1 241.294 2.045 20 0 BEADMN CCC(F)(F)CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000623680126 369381551 /nfs/dbraw/zinc/38/15/51/369381551.db2.gz YSEZFOLMYHDXES-NXEZZACHSA-N 0 1 232.318 2.247 20 0 BEADMN COCCCOC1CN(CCCC(C)C)C1 ZINC000459588346 203307722 /nfs/dbraw/zinc/30/77/22/203307722.db2.gz GINPFFCVAFOHAW-UHFFFAOYSA-N 0 1 229.364 2.160 20 0 BEADMN COC1CN(C[C@@H](C)Cc2ccccc2)C1 ZINC000459583942 203308300 /nfs/dbraw/zinc/30/83/00/203308300.db2.gz PWRNEEMIGQWJQT-LBPRGKRZSA-N 0 1 219.328 2.196 20 0 BEADMN CCCCCOC1CN(Cc2[nH]ncc2C)C1 ZINC000459591253 203309865 /nfs/dbraw/zinc/30/98/65/203309865.db2.gz KVHQDSHTCYLERO-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN CCC[C@H](C)CN1CC(OCCCOC)C1 ZINC000459590171 203310363 /nfs/dbraw/zinc/31/03/63/203310363.db2.gz JKYCZLVMTZQPIY-LBPRGKRZSA-N 0 1 229.364 2.160 20 0 BEADMN CCCCCOC1CN(C[C@H]2CCCOC2)C1 ZINC000459589619 203310546 /nfs/dbraw/zinc/31/05/46/203310546.db2.gz IAVPVRNLWURABW-CYBMUJFWSA-N 0 1 241.375 2.304 20 0 BEADMN COC(=O)C(C)(C)CCN1CC[C@H](C)[C@H](F)C1 ZINC000619428461 369345844 /nfs/dbraw/zinc/34/58/44/369345844.db2.gz QNLXLGRSSVMUDH-WDEREUQCSA-N 0 1 245.338 2.256 20 0 BEADMN COCC(C)(C)N(C)Cc1cnc(C2CC2)nc1 ZINC000459553394 203298690 /nfs/dbraw/zinc/29/86/90/203298690.db2.gz AYBCEZYUTLHHPQ-UHFFFAOYSA-N 0 1 249.358 2.211 20 0 BEADMN C/C(=C\c1ccccc1)CN1CC(C)(CO)C1 ZINC000459617015 203316875 /nfs/dbraw/zinc/31/68/75/203316875.db2.gz BFVYBXLKWIOIRO-MDWZMJQESA-N 0 1 231.339 2.404 20 0 BEADMN COCC1(C)CN(Cc2cccs2)C1 ZINC000459624294 203321266 /nfs/dbraw/zinc/32/12/66/203321266.db2.gz SYEUQXHZJUHZTM-UHFFFAOYSA-N 0 1 211.330 2.216 20 0 BEADMN CCOC(=O)[C@H](C)N(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000404013326 369417347 /nfs/dbraw/zinc/41/73/47/369417347.db2.gz CXKDLHHCNKHUQY-LOWDOPEQSA-N 0 1 239.359 2.306 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2cscn2)C1 ZINC000459637995 203325280 /nfs/dbraw/zinc/32/52/80/203325280.db2.gz SRGZVGXETHWNBB-JGZJWPJOSA-N 0 1 226.345 2.189 20 0 BEADMN CC(C)OC1CC(N[C@H](C)c2ccn(C)n2)C1 ZINC000459739540 203348625 /nfs/dbraw/zinc/34/86/25/203348625.db2.gz DHBKYGGFZKKLNR-VOMCLLRMSA-N 0 1 237.347 2.027 20 0 BEADMN COc1cncc(CNCc2cccnc2)c1C ZINC000631030162 370961229 /nfs/dbraw/zinc/96/12/29/370961229.db2.gz KYUALUBMNURHRQ-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CCCC[C@H](COC)N[C@@H](C)c1ccn(C)n1 ZINC000459758886 203359648 /nfs/dbraw/zinc/35/96/48/203359648.db2.gz QUQJWLSMMXBPIA-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1ccncc1Cl ZINC000459777901 203364743 /nfs/dbraw/zinc/36/47/43/203364743.db2.gz OCTMHROUGUNXGB-NEPJUHHUSA-N 0 1 240.734 2.392 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc(C)cs1 ZINC000459743261 203350677 /nfs/dbraw/zinc/35/06/77/203350677.db2.gz PQFYIPJIMQPDLP-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN O=C(NCC1=CCCC1)[C@@H]1CCCc2[nH]ncc21 ZINC000620005091 369660969 /nfs/dbraw/zinc/66/09/69/369660969.db2.gz VHZKTVAVSOSIAT-LLVKDONJSA-N 0 1 245.326 2.056 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H](C(C)C)C2CC2)c1C ZINC000620042401 369684708 /nfs/dbraw/zinc/68/47/08/369684708.db2.gz QDPZPEAREIUECB-NSHDSACASA-N 0 1 235.331 2.191 20 0 BEADMN C[C@H]1CCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000620211066 369769532 /nfs/dbraw/zinc/76/95/32/369769532.db2.gz JEXGVBUHNCIKOS-QMMMGPOBSA-N 0 1 247.323 2.373 20 0 BEADMN C[N@@H+](CCCc1ccccc1Cl)CC(=O)[O-] ZINC000568067272 326302836 /nfs/dbraw/zinc/30/28/36/326302836.db2.gz QOPCICIZGZXKEJ-UHFFFAOYSA-N 0 1 241.718 2.289 20 0 BEADMN CN(C)CC(=O)N1CCCC[C@H]1CC1CCC1 ZINC000620572045 369929287 /nfs/dbraw/zinc/92/92/87/369929287.db2.gz RMIYJGHEQXHWRP-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)C(C)(C)c1c[nH]cn1 ZINC000621045182 370080079 /nfs/dbraw/zinc/08/00/79/370080079.db2.gz VVMBFGHKNHWOLO-SNVBAGLBSA-N 0 1 249.358 2.192 20 0 BEADMN CCc1noc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000075769209 370170776 /nfs/dbraw/zinc/17/07/76/370170776.db2.gz JXOJUHVFMLEYDO-QWRGUYRKSA-N 0 1 235.331 2.397 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cncc(Cl)c1 ZINC000621279304 370210414 /nfs/dbraw/zinc/21/04/14/370210414.db2.gz OLLKVUGTQHUOSY-GFCCVEGCSA-N 0 1 240.734 2.082 20 0 BEADMN Cc1csc([C@@H](C)NCc2cc(C)[nH]n2)n1 ZINC000309798216 370261786 /nfs/dbraw/zinc/26/17/86/370261786.db2.gz QQTLMCLVCNIBKL-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN C[C@@H]1CCC[C@@H]1NCc1nnc(C2CC2)o1 ZINC000309819207 370264611 /nfs/dbraw/zinc/26/46/11/370264611.db2.gz VYJZWIWANLMKEF-SCZZXKLOSA-N 0 1 221.304 2.225 20 0 BEADMN CC(C)Cn1ncnc1CN[C@H]1CCC1(C)C ZINC000310203951 370321962 /nfs/dbraw/zinc/32/19/62/370321962.db2.gz SXMSAKRAMPDUNU-NSHDSACASA-N 0 1 236.363 2.212 20 0 BEADMN c1nc2c(ncnc2N[C@@H]2CC3CCC2CC3)[nH]1 ZINC000311090843 370384597 /nfs/dbraw/zinc/38/45/97/370384597.db2.gz QVBUBRGDHBXTCT-UDNWOFFPSA-N 0 1 243.314 2.344 20 0 BEADMN CCN1CC[C@H](N2Cc3ccccc3[C@@H]2C)C1=O ZINC000621400850 370338665 /nfs/dbraw/zinc/33/86/65/370338665.db2.gz UJEHNSICFJLWEF-FZMZJTMJSA-N 0 1 244.338 2.184 20 0 BEADMN CCC1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC000621696834 370442963 /nfs/dbraw/zinc/44/29/63/370442963.db2.gz UWAFZGWKUPLILA-UHFFFAOYSA-N 0 1 249.358 2.336 20 0 BEADMN Cc1nccnc1CN1CCS[C@@H](C)[C@@H]1C ZINC000621717088 370466366 /nfs/dbraw/zinc/46/63/66/370466366.db2.gz WKSROGOTXUVROC-QWRGUYRKSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1nccnc1CN1CCCC2(CC2)C1 ZINC000621723087 370474664 /nfs/dbraw/zinc/47/46/64/370474664.db2.gz UHKAQJCBRNGEAQ-UHFFFAOYSA-N 0 1 217.316 2.161 20 0 BEADMN Cc1nccnc1CN1CCC(C)=C(C)C1 ZINC000621725338 370477147 /nfs/dbraw/zinc/47/71/47/370477147.db2.gz KZRYIDHOZQYKLN-UHFFFAOYSA-N 0 1 217.316 2.327 20 0 BEADMN CC(=O)N1CC[C@@H](NCCF)c2ccccc21 ZINC000621761327 370506615 /nfs/dbraw/zinc/50/66/15/370506615.db2.gz CAVBRYHGXOJGRX-GFCCVEGCSA-N 0 1 236.290 2.043 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])ccn1 ZINC000621773859 370518979 /nfs/dbraw/zinc/51/89/79/370518979.db2.gz DSFXPYTWHLOMCP-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccn1 ZINC000621773875 370519215 /nfs/dbraw/zinc/51/92/15/370519215.db2.gz DXGXASDSIXHXFE-ZWNOBZJWSA-N 0 1 248.326 2.075 20 0 BEADMN O=C(N[C@@H]1CCCC12CCCCC2)c1ncn[nH]1 ZINC000312973048 370557649 /nfs/dbraw/zinc/55/76/49/370557649.db2.gz OJTNOLFCUUHDIW-SNVBAGLBSA-N 0 1 248.330 2.038 20 0 BEADMN O=C(N[C@@H]1CCCC12CCCCC2)c1nc[nH]n1 ZINC000312973048 370557653 /nfs/dbraw/zinc/55/76/53/370557653.db2.gz OJTNOLFCUUHDIW-SNVBAGLBSA-N 0 1 248.330 2.038 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@H](C)CC)n[nH]1 ZINC000066646475 370599832 /nfs/dbraw/zinc/59/98/32/370599832.db2.gz DQIMJEPMKOGCKI-SECBINFHSA-N 0 1 223.320 2.233 20 0 BEADMN CCc1cnc(CSc2n[nH]c(CC)n2)o1 ZINC000078956529 370614374 /nfs/dbraw/zinc/61/43/74/370614374.db2.gz DWVGYFDYGVTPEQ-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN CCc1cnc(CSc2nc(CC)n[nH]2)o1 ZINC000078956529 370614377 /nfs/dbraw/zinc/61/43/77/370614377.db2.gz DWVGYFDYGVTPEQ-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN CCc1cc(CN[C@H](C)[C@@H]2CCCCO2)on1 ZINC000623897197 371145288 /nfs/dbraw/zinc/14/52/88/371145288.db2.gz IHEXUIIEXKALHI-MFKMUULPSA-N 0 1 238.331 2.284 20 0 BEADMN CO[C@H]1C[C@H](NCc2ncc(Cl)s2)C1 ZINC000623808099 371103539 /nfs/dbraw/zinc/10/35/39/371103539.db2.gz CMKLOIONPKWXJI-LJGSYFOKSA-N 0 1 232.736 2.064 20 0 BEADMN COC[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623848812 371125558 /nfs/dbraw/zinc/12/55/58/371125558.db2.gz LKXFUQPGJSCQCN-IUCAKERBSA-N 0 1 226.345 2.145 20 0 BEADMN c1cn(CCN[C@H]2CCCc3scnc32)cn1 ZINC000623851930 371128283 /nfs/dbraw/zinc/12/82/83/371128283.db2.gz LJQDBHHSXIUOBC-JTQLQIEISA-N 0 1 248.355 2.007 20 0 BEADMN c1cnn(CCN[C@H]2CCCc3scnc32)c1 ZINC000623909908 371151031 /nfs/dbraw/zinc/15/10/31/371151031.db2.gz OLVUTGGCNPQTCA-JTQLQIEISA-N 0 1 248.355 2.007 20 0 BEADMN CCOc1ccccc1CN[C@H]1C[C@H]1OCC ZINC000569185613 326394089 /nfs/dbraw/zinc/39/40/89/326394089.db2.gz FMNXPMDLFYSCKG-GXTWGEPZSA-N 0 1 235.327 2.352 20 0 BEADMN CSCCNCc1nc2c(s1)CCCC2 ZINC000389982542 371183605 /nfs/dbraw/zinc/18/36/05/371183605.db2.gz JZBWQBDQILWWSY-UHFFFAOYSA-N 0 1 242.413 2.475 20 0 BEADMN CC[C@H](N[C@H]1CCCc2scnc21)[C@H](C)O ZINC000623994984 371228871 /nfs/dbraw/zinc/22/88/71/371228871.db2.gz JTEKIBLFMCHGHD-GUBZILKMSA-N 0 1 240.372 2.270 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@H]2CCCCO2)o1 ZINC000623999663 371231583 /nfs/dbraw/zinc/23/15/83/371231583.db2.gz XRPVSBMPFDHTPN-BXKDBHETSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@]1(O)C[C@H](N[C@H]2CCCc3scnc32)C1 ZINC000624001828 371233712 /nfs/dbraw/zinc/23/37/12/371233712.db2.gz NSXAEZUPBVJZEJ-HOTUBEGUSA-N 0 1 238.356 2.024 20 0 BEADMN Cc1csc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000624007022 371244417 /nfs/dbraw/zinc/24/44/17/371244417.db2.gz LCOOJKQZJKAXOA-ZDCRXTMVSA-N 0 1 238.356 2.422 20 0 BEADMN Cc1csc([C@H](C)NCCOCCF)n1 ZINC000624016876 371251895 /nfs/dbraw/zinc/25/18/95/371251895.db2.gz IWPKPGQHQDILAS-VIFPVBQESA-N 0 1 232.324 2.088 20 0 BEADMN Cc1c(CNCc2ccsc2)cnn1C ZINC000020351186 371269596 /nfs/dbraw/zinc/26/95/96/371269596.db2.gz CIXTZXHZFGPJNF-UHFFFAOYSA-N 0 1 221.329 2.080 20 0 BEADMN Cc1ncccc1CN[C@H]1CCCn2nccc21 ZINC000624164550 371359653 /nfs/dbraw/zinc/35/96/53/371359653.db2.gz VEHQNMMBZKPEII-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN Cc1ncccc1CN[C@@H]1CCCn2nccc21 ZINC000624164549 371359914 /nfs/dbraw/zinc/35/99/14/371359914.db2.gz VEHQNMMBZKPEII-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN CCC(F)(F)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000624147871 371342558 /nfs/dbraw/zinc/34/25/58/371342558.db2.gz NMBZGVFTSPTSJX-AEJSXWLSSA-N 0 1 233.302 2.435 20 0 BEADMN CCC(F)(F)CN[C@H](C)[C@H]1CCOC1 ZINC000624148102 371343445 /nfs/dbraw/zinc/34/34/45/371343445.db2.gz VLXMQHSAAJLNMM-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN CCC(F)(F)CNC1CCC(NC(C)=O)CC1 ZINC000624149199 371347770 /nfs/dbraw/zinc/34/77/70/371347770.db2.gz ZDINEQXPCPAYSW-UHFFFAOYSA-N 0 1 248.317 2.069 20 0 BEADMN CC[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccn(C)n1 ZINC000624223281 371411232 /nfs/dbraw/zinc/41/12/32/371411232.db2.gz QATXZQNAFNCIMQ-MBNYWOFBSA-N 0 1 249.358 2.028 20 0 BEADMN CC[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1nccn1C ZINC000624222951 371411462 /nfs/dbraw/zinc/41/14/62/371411462.db2.gz KNDIABFESQOTSF-AGIUHOORSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccc[nH]c2=O)s1 ZINC000624258845 371442789 /nfs/dbraw/zinc/44/27/89/371442789.db2.gz VQZXGSDXQIUELR-QMMMGPOBSA-N 0 1 249.339 2.403 20 0 BEADMN C[C@@H](CN1CC(=O)N(C)[C@@H](C)C1)CC(C)(C)C ZINC001642856977 1172413181 /nfs/dbraw/zinc/41/31/81/1172413181.db2.gz FWMOHZPVYKYYLA-NEPJUHHUSA-N 0 1 240.391 2.221 20 0 BEADMN O=C(C1=CCCCCC1)N1CCc2nc[nH]c2C1 ZINC000627370355 371587952 /nfs/dbraw/zinc/58/79/52/371587952.db2.gz WNCBTZGIBSZCJW-UHFFFAOYSA-N 0 1 245.326 2.185 20 0 BEADMN CC[N@@H+](C)Cc1cc(F)c([O-])c(F)c1 ZINC000132542501 371857644 /nfs/dbraw/zinc/85/76/44/371857644.db2.gz SUMLCOSHTMTHIR-UHFFFAOYSA-N 0 1 201.216 2.122 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000631162864 372214017 /nfs/dbraw/zinc/21/40/17/372214017.db2.gz FZDRKDHORTVIPS-NWDGAFQWSA-N 0 1 234.347 2.137 20 0 BEADMN CC(=O)Nc1cccc(CN[C@H](C)CF)c1 ZINC000631135461 372204951 /nfs/dbraw/zinc/20/49/51/372204951.db2.gz BYNFUUQUJQHJDI-SECBINFHSA-N 0 1 224.279 2.093 20 0 BEADMN Cc1ncc([C@H](C)NCc2cn[nH]c2)s1 ZINC000631227856 372250132 /nfs/dbraw/zinc/25/01/32/372250132.db2.gz MAAIFLIVBLKYFR-ZETCQYMHSA-N 0 1 222.317 2.025 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1ccncc1 ZINC000631261760 372266787 /nfs/dbraw/zinc/26/67/87/372266787.db2.gz AWLUNADZMWVNAT-RKDXNWHRSA-N 0 1 216.206 2.122 20 0 BEADMN CCCC[C@H]1CCC[C@@H]1NC(=O)CN(C)C ZINC000171174921 372418488 /nfs/dbraw/zinc/41/84/88/372418488.db2.gz YXUIGEDVXZYAQY-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccoc1)[C@H](O)C(F)(F)F ZINC000631719971 372521996 /nfs/dbraw/zinc/52/19/96/372521996.db2.gz PZMKKMMXGFSBGJ-OOZYFLPDSA-N 0 1 237.221 2.242 20 0 BEADMN CC[C@H](CC(=O)NCCN1CCC1)C(C)(C)C ZINC000632061247 372742511 /nfs/dbraw/zinc/74/25/11/372742511.db2.gz LFKKIBHAQJVBDE-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000268913005 182013353 /nfs/dbraw/zinc/01/33/53/182013353.db2.gz BGPRKMVWNPAKHR-PWSUYJOCSA-N 0 1 245.326 2.260 20 0 BEADMN CC(C)[C@H](C)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000172579606 373014330 /nfs/dbraw/zinc/01/43/30/373014330.db2.gz UETRLEVXLTWDGH-SNVBAGLBSA-N 0 1 249.358 2.310 20 0 BEADMN CCC(C)(C)CCNC(=O)[C@H]1CCCN1C ZINC000633968153 373868225 /nfs/dbraw/zinc/86/82/25/373868225.db2.gz UDQWHUNBCPHMRO-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCC(C)(C)CCNC(=O)C1(N(C)C)CC1 ZINC000633968674 373869740 /nfs/dbraw/zinc/86/97/40/373869740.db2.gz SZPJPZOEYFRNPA-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1sccc1NC(=O)CN(C)C(C)C ZINC000634212957 374029508 /nfs/dbraw/zinc/02/95/08/374029508.db2.gz BCEQSFQPGIWJNC-UHFFFAOYSA-N 0 1 226.345 2.335 20 0 BEADMN C[C@@H](CC1CCC1)NC(=O)c1[nH]nc2c1CCC2 ZINC000634366746 374210655 /nfs/dbraw/zinc/21/06/55/374210655.db2.gz SWXKXNIJCPTUDJ-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN CCN(CC(=O)N1CC[C@@H](C)C[C@H]1C)C1CC1 ZINC000425038444 206019335 /nfs/dbraw/zinc/01/93/35/206019335.db2.gz XDAGRZDFPWAYNL-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)(C)n1cc(CN[C@@H]2C[C@H]2C2CCC2)nn1 ZINC000424193941 206034278 /nfs/dbraw/zinc/03/42/78/206034278.db2.gz KYQHCXLGXGENMI-QWHCGFSZSA-N 0 1 248.374 2.311 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)[C@H]1CCCc2[nH]cnc21 ZINC000370491140 182291673 /nfs/dbraw/zinc/29/16/73/182291673.db2.gz KNIZKYXNVQJEGU-MNOVXSKESA-N 0 1 245.326 2.055 20 0 BEADMN COCC(C)(C)C[N@H+]1CC[C@](C)(F)C1 ZINC000426421778 206048939 /nfs/dbraw/zinc/04/89/39/206048939.db2.gz SVYJUKNXYOBCIR-NSHDSACASA-N 0 1 203.301 2.093 20 0 BEADMN C[C@@H](NCc1ccccc1)c1ccc(=O)[nH]n1 ZINC000428236462 206056935 /nfs/dbraw/zinc/05/69/35/206056935.db2.gz HKZVVZJBWFAVPS-SNVBAGLBSA-N 0 1 229.283 2.033 20 0 BEADMN C[C@H](CC1CCCC1)N[C@H](C)c1ncn(C)n1 ZINC000437030068 206068073 /nfs/dbraw/zinc/06/80/73/206068073.db2.gz IPBYQNLMPABVJW-GHMZBOCLSA-N 0 1 236.363 2.435 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440477455 206077421 /nfs/dbraw/zinc/07/74/21/206077421.db2.gz JPDGTWLLMQXVIM-NSHDSACASA-N 0 1 237.347 2.067 20 0 BEADMN C[C@@H]1CN(CCc2ccccn2)[C@H](C)[C@@H](C)O1 ZINC000446083338 206088088 /nfs/dbraw/zinc/08/80/88/206088088.db2.gz QXYIRIRRKJSRJL-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1ccc(F)cc1O ZINC000179006174 182327627 /nfs/dbraw/zinc/32/76/27/182327627.db2.gz NIZHSKHILAIQFJ-JTQLQIEISA-N 0 1 235.258 2.370 20 0 BEADMN O=C(N[C@H]1CCCCC12CCCC2)c1ncn[nH]1 ZINC000328684640 182328622 /nfs/dbraw/zinc/32/86/22/182328622.db2.gz WWAMTXQDSRUWMN-JTQLQIEISA-N 0 1 248.330 2.038 20 0 BEADMN O=C(N[C@H]1CCCCC12CCCC2)c1nc[nH]n1 ZINC000328684640 182328624 /nfs/dbraw/zinc/32/86/24/182328624.db2.gz WWAMTXQDSRUWMN-JTQLQIEISA-N 0 1 248.330 2.038 20 0 BEADMN CCC(CC)[S@](=O)Cc1n[nH]c(C2CC2)n1 ZINC000194553193 206094320 /nfs/dbraw/zinc/09/43/20/206094320.db2.gz IQPVFKSOPAJCBG-MRXNPFEDSA-N 0 1 241.360 2.119 20 0 BEADMN CC[C@H](CSC)NCc1cc(C)on1 ZINC000459468382 206126808 /nfs/dbraw/zinc/12/68/08/206126808.db2.gz RLANNDFPVFNTIH-SECBINFHSA-N 0 1 214.334 2.214 20 0 BEADMN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C1CC1 ZINC000279716058 182355603 /nfs/dbraw/zinc/35/56/03/182355603.db2.gz LOFWWFMOBQZKFN-ZDUSSCGKSA-N 0 1 248.301 2.391 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCC[N@H+]2C2CC2)no1 ZINC000459499017 206130102 /nfs/dbraw/zinc/13/01/02/206130102.db2.gz BVHLITFKJIXMJN-AWEZNQCLSA-N 0 1 249.358 2.090 20 0 BEADMN CC[C@H]1[C@H](C)CCN1Cc1cc(COC)on1 ZINC000459496386 206130274 /nfs/dbraw/zinc/13/02/74/206130274.db2.gz HCKAERDDVWUPCQ-MFKMUULPSA-N 0 1 238.331 2.441 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1cnnn1CC ZINC000459494899 206131496 /nfs/dbraw/zinc/13/14/96/206131496.db2.gz COHVYKYVRKLRHF-LLVKDONJSA-N 0 1 224.352 2.309 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@H]1CCCCO1 ZINC000269458647 182367137 /nfs/dbraw/zinc/36/71/37/182367137.db2.gz MKPYWKFNEZFRIT-GFCCVEGCSA-N 0 1 245.282 2.071 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000172111456 182369406 /nfs/dbraw/zinc/36/94/06/182369406.db2.gz YVFBCDRCWPXZGX-VIFPVBQESA-N 0 1 241.674 2.163 20 0 BEADMN O=C(Nc1ccncc1)c1c(O)cccc1F ZINC000120280864 182386513 /nfs/dbraw/zinc/38/65/13/182386513.db2.gz DGBOKIUUPLZVJZ-UHFFFAOYSA-N 0 1 232.214 2.179 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000008699117 182508923 /nfs/dbraw/zinc/50/89/23/182508923.db2.gz WEBKVYGWLUFJKK-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN Cc1ccc(SCc2nnc[nH]2)cc1 ZINC001643508782 1172474670 /nfs/dbraw/zinc/47/46/70/1172474670.db2.gz DIFHFGMDNDEVFC-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN O=C(c1ccc(F)cc1O)N1C[C@@H]2CCC[C@H]2C1 ZINC000124097857 182661789 /nfs/dbraw/zinc/66/17/89/182661789.db2.gz CALFRXLEQBRWHI-UWVGGRQHSA-N 0 1 249.285 2.403 20 0 BEADMN CO[C@@H]1CCC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC001643615172 1172479312 /nfs/dbraw/zinc/47/93/12/1172479312.db2.gz BIOTUWHJDWJOSP-RKDXNWHRSA-N 0 1 227.333 2.163 20 0 BEADMN Clc1nc(CSc2c[nH]nn2)cs1 ZINC001643736940 1172490838 /nfs/dbraw/zinc/49/08/38/1172490838.db2.gz ZUFKPEGSRADUIL-UHFFFAOYSA-N 0 1 232.721 2.207 20 0 BEADMN CCOCCN(C)Cc1sccc1OC ZINC000272394160 170391452 /nfs/dbraw/zinc/39/14/52/170391452.db2.gz VPKBQTDDHUFSIE-UHFFFAOYSA-N 0 1 229.345 2.225 20 0 BEADMN OCCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000263750895 183046467 /nfs/dbraw/zinc/04/64/67/183046467.db2.gz JXUISKFEMXJAEE-OAHLLOKOSA-N 0 1 249.354 2.223 20 0 BEADMN OCCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000368334494 183051677 /nfs/dbraw/zinc/05/16/77/183051677.db2.gz VOFYMZBVTVANBL-CQSZACIVSA-N 0 1 241.375 2.040 20 0 BEADMN OCC[C@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000185119950 183096506 /nfs/dbraw/zinc/09/65/06/183096506.db2.gz KFTDEULAUXSYOH-RYUDHWBXSA-N 0 1 221.300 2.401 20 0 BEADMN OC[C@@H](CC(F)F)NCc1ccccc1Cl ZINC000309585029 183103829 /nfs/dbraw/zinc/10/38/29/183103829.db2.gz RVYPOMXQGSZXCV-SECBINFHSA-N 0 1 249.688 2.446 20 0 BEADMN OC[C@@H](NCCCCF)c1c(F)cccc1F ZINC000285485511 183108198 /nfs/dbraw/zinc/10/81/98/183108198.db2.gz DAUAZONOMZWZQL-LLVKDONJSA-N 0 1 247.260 2.338 20 0 BEADMN OC[C@@]1(NC/C=C/Cl)CCc2ccccc21 ZINC000305720406 183135022 /nfs/dbraw/zinc/13/50/22/183135022.db2.gz JLQAOVRQOAEVNO-UTPRNQHHSA-N 0 1 237.730 2.163 20 0 BEADMN OC[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000275317136 183122352 /nfs/dbraw/zinc/12/23/52/183122352.db2.gz SFPHXBIURQJGME-SECBINFHSA-N 0 1 243.709 2.293 20 0 BEADMN CCCCc1nc([C@H](N)CC(C)C)no1 ZINC000336741661 169027253 /nfs/dbraw/zinc/02/72/53/169027253.db2.gz NJSGHVLTBRQADK-SECBINFHSA-N 0 1 211.309 2.458 20 0 BEADMN OC[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000082945947 183124869 /nfs/dbraw/zinc/12/48/69/183124869.db2.gz ZJGGQLPHOIKWOL-SNVBAGLBSA-N 0 1 243.709 2.293 20 0 BEADMN OC[C@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000051887310 183153110 /nfs/dbraw/zinc/15/31/10/183153110.db2.gz BONYEXIKWOIJQR-JTQLQIEISA-N 0 1 248.351 2.111 20 0 BEADMN OC[C@]1(F)CCCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000291105845 183157779 /nfs/dbraw/zinc/15/77/79/183157779.db2.gz JUYOUTMPZNHKOT-KKUMJFAQSA-N 0 1 249.329 2.339 20 0 BEADMN O[C@@H](CNCc1ccccn1)c1ccccc1F ZINC000032102409 183181159 /nfs/dbraw/zinc/18/11/59/183181159.db2.gz YEKJKMCWFMNFBF-AWEZNQCLSA-N 0 1 246.285 2.044 20 0 BEADMN O[C@@H](CN1CC(C2CCCC2)C1)C(F)(F)F ZINC000360693291 183176545 /nfs/dbraw/zinc/17/65/45/183176545.db2.gz YHOAFNABUXOIMN-JTQLQIEISA-N 0 1 237.265 2.032 20 0 BEADMN CCCN(C)CC(=O)Nc1cc(C2CC2)ccn1 ZINC000359668396 169074775 /nfs/dbraw/zinc/07/47/75/169074775.db2.gz UXPPZSDGLDJXAB-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(C)cc1F ZINC000358604112 169075296 /nfs/dbraw/zinc/07/52/96/169075296.db2.gz UYZAPPURMNCMJN-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(F)c1C ZINC000362689192 169076257 /nfs/dbraw/zinc/07/62/57/169076257.db2.gz OENGJIYCQSKJEJ-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN O[C@H](CN1CC(C2CCCC2)C1)C(F)(F)F ZINC000360693292 183219946 /nfs/dbraw/zinc/21/99/46/183219946.db2.gz YHOAFNABUXOIMN-SNVBAGLBSA-N 0 1 237.265 2.032 20 0 BEADMN CCCN(C)Cc1ccc(F)cc1C(=O)OC ZINC000103471237 169081234 /nfs/dbraw/zinc/08/12/34/169081234.db2.gz XRTPWIZPZJAWQV-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN CCCN(C)Cc1nnc(-c2ccco2)o1 ZINC000061784103 169083095 /nfs/dbraw/zinc/08/30/95/169083095.db2.gz QMYDYYZRCXEDNF-UHFFFAOYSA-N 0 1 221.260 2.171 20 0 BEADMN CCCN(C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271211445 169086888 /nfs/dbraw/zinc/08/68/88/169086888.db2.gz HRNYSKPKZUCLBC-SNVBAGLBSA-N 0 1 245.326 2.476 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccccc1CC ZINC000188873028 169095129 /nfs/dbraw/zinc/09/51/29/169095129.db2.gz WJALUWQZAYQZPP-UHFFFAOYSA-N 0 1 248.370 2.207 20 0 BEADMN CCCN(CC(=O)NC)Cc1ccc(C)cc1C ZINC000092381724 169095440 /nfs/dbraw/zinc/09/54/40/169095440.db2.gz CFIJFCTZZQFENC-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CCCN(CC)C(=O)[C@@H](N)c1ccccc1C ZINC000296565663 169115174 /nfs/dbraw/zinc/11/51/74/169115174.db2.gz VPFNZBUYANSEHD-ZDUSSCGKSA-N 0 1 234.343 2.253 20 0 BEADMN CCCN(CC)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881444 169116170 /nfs/dbraw/zinc/11/61/70/169116170.db2.gz RTNDIIPWTASHBR-AWEZNQCLSA-N 0 1 234.343 2.119 20 0 BEADMN O[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000294796309 183247922 /nfs/dbraw/zinc/24/79/22/183247922.db2.gz HYUPVVKVKIBFHX-AOOOYVTPSA-N 0 1 229.682 2.092 20 0 BEADMN O[C@H]1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000293006428 183236059 /nfs/dbraw/zinc/23/60/59/183236059.db2.gz DEYVHRYLVKFWRA-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN CCCN(CCC)Cc1nnc(CC)o1 ZINC000120180151 169150945 /nfs/dbraw/zinc/15/09/45/169150945.db2.gz WTSRWUKIFHRQBI-UHFFFAOYSA-N 0 1 211.309 2.254 20 0 BEADMN CCCN(CC)Cc1nc(N)c2ccccc2n1 ZINC000270821396 169128558 /nfs/dbraw/zinc/12/85/58/169128558.db2.gz YOAPXXXBKSDANB-UHFFFAOYSA-N 0 1 244.342 2.444 20 0 BEADMN CCCN(CCC)C(=O)NCc1cn[nH]c1C ZINC000298691386 169143633 /nfs/dbraw/zinc/14/36/33/169143633.db2.gz OSHQBSIAMNVUPP-UHFFFAOYSA-N 0 1 238.335 2.050 20 0 BEADMN CCC[N@@H+](CCCC(=O)[O-])C[C@@H]1CCCCO1 ZINC000120860563 169154238 /nfs/dbraw/zinc/15/42/38/169154238.db2.gz PATCDCKYUUGHTQ-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CCC[N@@H+](CCCC(=O)[O-])C[C@H]1CCCCO1 ZINC000120860734 169154372 /nfs/dbraw/zinc/15/43/72/169154372.db2.gz PATCDCKYUUGHTQ-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN Oc1cccc(CNC2CC2)c1Br ZINC000306334086 183289198 /nfs/dbraw/zinc/28/91/98/183289198.db2.gz RJEPQUMZHMPJHD-UHFFFAOYSA-N 0 1 242.116 2.407 20 0 BEADMN CCCN(Cc1ccccc1)C(=O)c1ccn[nH]1 ZINC000042231039 169177409 /nfs/dbraw/zinc/17/74/09/169177409.db2.gz ZTTQGGNTONDCSD-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN CCCN(CCO)Cc1cc(OC)ccc1F ZINC000294965192 169166967 /nfs/dbraw/zinc/16/69/67/169166967.db2.gz RBGADMUBLNECQS-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CCCN(CCO)Cc1cc(F)ccc1OC ZINC000049826632 169167036 /nfs/dbraw/zinc/16/70/36/169167036.db2.gz DYKIKBMWSKMCFK-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CCCN(Cc1ncc(C)cn1)CC1CC1 ZINC000336698467 169180936 /nfs/dbraw/zinc/18/09/36/169180936.db2.gz IZTFSUCADHEDAZ-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN CCCN(Cc1nc(N(C)C)no1)CC(C)C ZINC000337146328 169181054 /nfs/dbraw/zinc/18/10/54/169181054.db2.gz YEVYQPTYIXEKPR-UHFFFAOYSA-N 0 1 240.351 2.004 20 0 BEADMN c1nc(NCC[C@H]2CCOC2)cc2c1CCCC2 ZINC000361236215 183318773 /nfs/dbraw/zinc/31/87/73/183318773.db2.gz IFAHUGURBMEOQR-LBPRGKRZSA-N 0 1 246.354 2.221 20 0 BEADMN c1c[nH]c(CNC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000359803272 183324600 /nfs/dbraw/zinc/32/46/00/183324600.db2.gz PXZVRJQXJWHUMY-LBPRGKRZSA-N 0 1 249.358 2.381 20 0 BEADMN CCCN1CCC[C@@H]1C(=O)Nc1ccncc1C ZINC000107292314 169196035 /nfs/dbraw/zinc/19/60/35/169196035.db2.gz QPLBVAWWWIEUHR-CYBMUJFWSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1ccnc(C)c1 ZINC000112298398 169200694 /nfs/dbraw/zinc/20/06/94/169200694.db2.gz PWAVCRMRRQIXIJ-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN(Cc1ccnn1CC)C1CC1 ZINC000180097738 169178696 /nfs/dbraw/zinc/17/86/96/169178696.db2.gz DVLPFIYQJHLMCW-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN c1cc(CN2CCCC3(CCOCC3)C2)no1 ZINC000334603600 183339147 /nfs/dbraw/zinc/33/91/47/183339147.db2.gz BTOGUPILIYCYBR-UHFFFAOYSA-N 0 1 236.315 2.067 20 0 BEADMN CCCNC(=O)CN[C@H](C)c1cccc(F)c1 ZINC000035138841 169229597 /nfs/dbraw/zinc/22/95/97/169229597.db2.gz KSBKDOPQZIIEQM-SNVBAGLBSA-N 0 1 238.306 2.003 20 0 BEADMN CCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594011 169208058 /nfs/dbraw/zinc/20/80/58/169208058.db2.gz IAQCIVIGYDTPGM-LBPRGKRZSA-N 0 1 219.284 2.080 20 0 BEADMN c1cc(CN2CCC(c3ccncc3)CC2)on1 ZINC000336541281 183335816 /nfs/dbraw/zinc/33/58/16/183335816.db2.gz NNIPNJCCEITJIH-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000299331080 169222144 /nfs/dbraw/zinc/22/21/44/169222144.db2.gz PJRSAOXLPIBGEJ-CQSZACIVSA-N 0 1 246.354 2.002 20 0 BEADMN c1cc(NC[C@@H]2CCSC2)cc2[nH]nnc12 ZINC000278474519 183364942 /nfs/dbraw/zinc/36/49/42/183364942.db2.gz JVOMLWFACCKPMY-QMMMGPOBSA-N 0 1 234.328 2.123 20 0 BEADMN c1cc(NC[C@@H]2CCSC2)cc2n[nH]nc12 ZINC000278474519 183364945 /nfs/dbraw/zinc/36/49/45/183364945.db2.gz JVOMLWFACCKPMY-QMMMGPOBSA-N 0 1 234.328 2.123 20 0 BEADMN c1cnn(C2CCN(Cc3ccccn3)CC2)c1 ZINC000362964406 183395903 /nfs/dbraw/zinc/39/59/03/183395903.db2.gz LPWMWPGKWGCIRB-UHFFFAOYSA-N 0 1 242.326 2.115 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000378327418 169299633 /nfs/dbraw/zinc/29/96/33/169299633.db2.gz RPMCVMKJKWXTGL-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000087342309 169290950 /nfs/dbraw/zinc/29/09/50/169290950.db2.gz MJBPTJJXJGPHIV-GFCCVEGCSA-N 0 1 215.300 2.499 20 0 BEADMN CCC[C@@H](C(=O)NCc1cnc[nH]1)C(C)C ZINC000330519421 169344898 /nfs/dbraw/zinc/34/48/98/169344898.db2.gz GWKVWGGCSMTKOK-LLVKDONJSA-N 0 1 223.320 2.098 20 0 BEADMN c1cnc2c(c1)CN(C[C@H]1CCCCO1)CC2 ZINC000366366475 183486138 /nfs/dbraw/zinc/48/61/38/183486138.db2.gz YWADGGVYTYRRAX-CYBMUJFWSA-N 0 1 232.327 2.009 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CCCSC ZINC000300899009 169347455 /nfs/dbraw/zinc/34/74/55/169347455.db2.gz CBYYDPLVYWHNAM-NSHDSACASA-N 0 1 247.404 2.403 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(CC)C[C@H]1C ZINC000341837993 169355457 /nfs/dbraw/zinc/35/54/57/169355457.db2.gz GYXNHMSKGYCTCR-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN c1cn2c(n1)[C@H](N[C@H]1CC13CCCC3)CC2 ZINC000334590297 183475948 /nfs/dbraw/zinc/47/59/48/183475948.db2.gz CDWPSZWDDDUTBI-MNOVXSKESA-N 0 1 217.316 2.250 20 0 BEADMN CCC[C@@H](C)C[N@@H+](CCC)CC(=O)[O-] ZINC000051322629 169357429 /nfs/dbraw/zinc/35/74/29/169357429.db2.gz APPOFORCBGGZQH-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN CCC[C@@H](CC)NC(=O)[C@H](N)c1ccccc1 ZINC000050405067 169377637 /nfs/dbraw/zinc/37/76/37/169377637.db2.gz UPEKOTGIULWOOF-CHWSQXEVSA-N 0 1 234.343 2.381 20 0 BEADMN CC(C)n1cc(CN2CCCO[C@H](C)C2)cn1 ZINC000179399262 134316758 /nfs/dbraw/zinc/31/67/58/134316758.db2.gz RJIYQSMAGSKIBT-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN CCOc1ccc2c(c1)C[N@@H+]([C@H](C)[C@H](C)O)CC2 ZINC001644423272 1172558366 /nfs/dbraw/zinc/55/83/66/1172558366.db2.gz QNUZIGVOPISSCA-NEPJUHHUSA-N 0 1 249.354 2.213 20 0 BEADMN CCC[C@H](C)N(C)C(=O)NCc1cn[nH]c1C ZINC000298655978 169485522 /nfs/dbraw/zinc/48/55/22/169485522.db2.gz AVLIZIHJUIZYGD-VIFPVBQESA-N 0 1 238.335 2.048 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)CC(C)(C)CC ZINC000359228177 169529774 /nfs/dbraw/zinc/52/97/74/169529774.db2.gz VZQPJQSSFYOTIF-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccn[nH]1 ZINC000081178260 169540780 /nfs/dbraw/zinc/54/07/80/169540780.db2.gz BMDGYCUFUVIVEU-PWSUYJOCSA-N 0 1 235.331 2.451 20 0 BEADMN C[C@@H](O)C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225381403 134355155 /nfs/dbraw/zinc/35/51/55/134355155.db2.gz XPQVTYBIZWGJLG-RNFRBKRXSA-N 0 1 234.752 2.046 20 0 BEADMN O[C@H]1CCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000225359630 134355157 /nfs/dbraw/zinc/35/51/57/134355157.db2.gz ILXMKFQPRWERHN-SFYZADRCSA-N 0 1 246.763 2.047 20 0 BEADMN CCN(CC(C)=O)[C@H](COC)Cc1ccccc1 ZINC001644762180 1172603861 /nfs/dbraw/zinc/60/38/61/1172603861.db2.gz VCJVULJAVAQGSD-HNNXBMFYSA-N 0 1 249.354 2.155 20 0 BEADMN CC(C)=CC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229296529 259639485 /nfs/dbraw/zinc/63/94/85/259639485.db2.gz LHRZGQAGXOFXPP-GHMZBOCLSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H](CCCO)NCc1c(F)cccc1F ZINC000087358606 383828189 /nfs/dbraw/zinc/82/81/89/383828189.db2.gz MBSUBMNHVJIZBW-VIFPVBQESA-N 0 1 229.270 2.215 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CC2(C)C)c2nccn21 ZINC000293835764 383840028 /nfs/dbraw/zinc/84/00/28/383840028.db2.gz BNYWLCGZVLQILW-UTLUCORTSA-N 0 1 205.305 2.277 20 0 BEADMN CCCc1nc(-c2nc([C@@H]3CCCN3)no2)co1 ZINC000647144995 383839936 /nfs/dbraw/zinc/83/99/36/383839936.db2.gz LBJFWPGERRQTRX-QMMMGPOBSA-N 0 1 248.286 2.102 20 0 BEADMN C/C=C(\CC)c1nc([C@@H]2CCCN2)no1 ZINC000647145970 383846668 /nfs/dbraw/zinc/84/66/68/383846668.db2.gz JXBZWWGLSPQMMU-IPQKIJNHSA-N 0 1 207.277 2.307 20 0 BEADMN [O-]c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)c(F)c1 ZINC000647145914 383847275 /nfs/dbraw/zinc/84/72/75/383847275.db2.gz IMBSATWPCVXIJJ-SNVBAGLBSA-N 0 1 249.245 2.006 20 0 BEADMN c1oc(C2CC2)nc1-c1nc([C@H]2CCCN2)no1 ZINC000647145955 383847759 /nfs/dbraw/zinc/84/77/59/383847759.db2.gz JLLVONGRFMBDCL-MRVPVSSYSA-N 0 1 246.270 2.027 20 0 BEADMN CCc1nnc(SC[C@H]2CCCCO2)[nH]1 ZINC000048406415 383849867 /nfs/dbraw/zinc/84/98/67/383849867.db2.gz JHCUHDDWXGESOQ-MRVPVSSYSA-N 0 1 227.333 2.028 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCCCO2)n1 ZINC000048406415 383849876 /nfs/dbraw/zinc/84/98/76/383849876.db2.gz JHCUHDDWXGESOQ-MRVPVSSYSA-N 0 1 227.333 2.028 20 0 BEADMN CC[C@@H](O)[C@@H](CC)NCc1ncc(Cl)s1 ZINC000313097103 383873007 /nfs/dbraw/zinc/87/30/07/383873007.db2.gz RVVNFSSWJWJFIL-HTQZYQBOSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@H](O)[C@H](CC)NCc1ncc(Cl)s1 ZINC000313097107 383873748 /nfs/dbraw/zinc/87/37/48/383873748.db2.gz RVVNFSSWJWJFIL-YUMQZZPRSA-N 0 1 248.779 2.436 20 0 BEADMN CN(C)CC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000111659908 383874326 /nfs/dbraw/zinc/87/43/26/383874326.db2.gz JXRULFMCIPAPLB-KBPBESRZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@@H]1CCC[C@H]1Cc1nc([C@H]2CCCN2)no1 ZINC000647146879 383874567 /nfs/dbraw/zinc/87/45/67/383874567.db2.gz DSCBFQWPVAZAJG-OUAUKWLOSA-N 0 1 235.331 2.473 20 0 BEADMN C[C@H](N[C@@H](C)c1ccncc1)C(=O)NC(C)(C)C ZINC000035124212 383830490 /nfs/dbraw/zinc/83/04/90/383830490.db2.gz BZGIJJGUJADTGV-QWRGUYRKSA-N 0 1 249.358 2.035 20 0 BEADMN CCc1ccnc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000647144345 383833112 /nfs/dbraw/zinc/83/31/12/383833112.db2.gz UWUYQVUMMOJEGS-JTQLQIEISA-N 0 1 244.298 2.119 20 0 BEADMN CC[C@@H](C)CCc1nc([C@H]2CCCN2)no1 ZINC000647144630 383833214 /nfs/dbraw/zinc/83/32/14/383833214.db2.gz CBYJXDUGCDQYIT-NXEZZACHSA-N 0 1 223.320 2.473 20 0 BEADMN C[C@H](N[C@H]1COCC1(C)C)c1nccs1 ZINC000313122929 383908595 /nfs/dbraw/zinc/90/85/95/383908595.db2.gz LRTXIKJNHXFJTR-IUCAKERBSA-N 0 1 226.345 2.219 20 0 BEADMN Cc1cc(C)c(-c2nc([C@@H]3CCCN3)no2)o1 ZINC000647149407 383913212 /nfs/dbraw/zinc/91/32/12/383913212.db2.gz LIGLQAHALBVVRJ-VIFPVBQESA-N 0 1 233.271 2.371 20 0 BEADMN C[C@@H]1CC[C@@H](Cc2nc([C@@H]3CCCN3)no2)C1 ZINC000647149307 383913307 /nfs/dbraw/zinc/91/33/07/383913307.db2.gz JNKRPUGTIDIWND-MXWKQRLJSA-N 0 1 235.331 2.473 20 0 BEADMN CCC(CC)Cc1nc([C@@H]2CCCN2)no1 ZINC000647149212 383916057 /nfs/dbraw/zinc/91/60/57/383916057.db2.gz GZEJYPYMHJCYFD-JTQLQIEISA-N 0 1 223.320 2.473 20 0 BEADMN Cn1ccc(CNCCSc2ccccc2)n1 ZINC000112339220 383916758 /nfs/dbraw/zinc/91/67/58/383916758.db2.gz NDKHAAWABGWCIW-UHFFFAOYSA-N 0 1 247.367 2.302 20 0 BEADMN CC[C@H](N[C@H](C)c1csnn1)C1CC1 ZINC000398316045 383918335 /nfs/dbraw/zinc/91/83/35/383918335.db2.gz FDSWSOYLTFHULO-APPZFPTMSA-N 0 1 211.334 2.377 20 0 BEADMN CCC(C)(C)Cc1nc([C@H]2CCCN2)no1 ZINC000647150005 383919266 /nfs/dbraw/zinc/91/92/66/383919266.db2.gz XSCBLZVJHHFLQP-SECBINFHSA-N 0 1 223.320 2.473 20 0 BEADMN Cc1nc(CSC2(CO)CCCCC2)n[nH]1 ZINC000313130013 383920980 /nfs/dbraw/zinc/92/09/80/383920980.db2.gz XXALOXKGPKABOX-UHFFFAOYSA-N 0 1 241.360 2.042 20 0 BEADMN Cc1ccc(Cc2nc([C@H]3CCCN3)no2)s1 ZINC000647151307 383929665 /nfs/dbraw/zinc/92/96/65/383929665.db2.gz BAUVNIJOQWBVDF-SNVBAGLBSA-N 0 1 249.339 2.455 20 0 BEADMN Cc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)n[nH]1 ZINC000336442520 383889775 /nfs/dbraw/zinc/88/97/75/383889775.db2.gz KDTZGLATRICDLQ-YGRLFVJLSA-N 0 1 247.342 2.370 20 0 BEADMN CCC1(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000295921732 383892247 /nfs/dbraw/zinc/89/22/47/383892247.db2.gz OVYDXTAETQFKHJ-UHFFFAOYSA-N 0 1 229.283 2.235 20 0 BEADMN C[C@@H](c1ccco1)c1nc([C@@H]2CCCN2)no1 ZINC000647148624 383895502 /nfs/dbraw/zinc/89/55/02/383895502.db2.gz SFQAJODTFAYJMN-IUCAKERBSA-N 0 1 233.271 2.239 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)oc1C ZINC000647148679 383896075 /nfs/dbraw/zinc/89/60/75/383896075.db2.gz VAACDRURQDIIJU-SECBINFHSA-N 0 1 233.271 2.371 20 0 BEADMN CC[C@@H](C)CN1CCN(CC(F)(F)F)CC1 ZINC000088491414 383904657 /nfs/dbraw/zinc/90/46/57/383904657.db2.gz IRMIUYHRWHVBIH-SNVBAGLBSA-N 0 1 238.297 2.212 20 0 BEADMN CC(C)CO[C@@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000647153304 383978582 /nfs/dbraw/zinc/97/85/82/383978582.db2.gz ZBINIYZLOIUMIR-UWVGGRQHSA-N 0 1 239.319 2.228 20 0 BEADMN Oc1cccc(CNC2(CF)CCC2)c1 ZINC000647254360 383988886 /nfs/dbraw/zinc/98/88/86/383988886.db2.gz HMFGZUPBFPLJPL-UHFFFAOYSA-N 0 1 209.264 2.374 20 0 BEADMN COC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000089195141 383941989 /nfs/dbraw/zinc/94/19/89/383941989.db2.gz OSSQSNRYTWUFGF-UHFFFAOYSA-N 0 1 226.182 2.287 20 0 BEADMN CCC[C@H](CN[C@H]1C[C@H](C)n2ccnc21)OC ZINC000345345991 383942433 /nfs/dbraw/zinc/94/24/33/383942433.db2.gz BYZGXHQMOYFSTE-TUAOUCFPSA-N 0 1 237.347 2.294 20 0 BEADMN CC1(C)CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000112702504 383944133 /nfs/dbraw/zinc/94/41/33/383944133.db2.gz NEUKVWPIGAROSM-CYBMUJFWSA-N 0 1 246.354 2.335 20 0 BEADMN CC[N@@H+](CCCCCC(=O)[O-])C(C)C ZINC000070652394 383952244 /nfs/dbraw/zinc/95/22/44/383952244.db2.gz DFCCWBYIFKKFAF-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN c1cc(CCc2nc([C@@H]3CCCN3)no2)cs1 ZINC000647155257 384017222 /nfs/dbraw/zinc/01/72/22/384017222.db2.gz VITSSMXYDHRDRL-JTQLQIEISA-N 0 1 249.339 2.341 20 0 BEADMN c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000090008861 384021037 /nfs/dbraw/zinc/02/10/37/384021037.db2.gz XKZDLXNLCQUFTM-AWEZNQCLSA-N 0 1 217.312 2.297 20 0 BEADMN CC[C@@H](COC)NCc1cn2cccc(C)c2n1 ZINC000090045082 384025659 /nfs/dbraw/zinc/02/56/59/384025659.db2.gz XYFGMKMBZBORRG-LBPRGKRZSA-N 0 1 247.342 2.157 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000518560470 384011398 /nfs/dbraw/zinc/01/13/98/384011398.db2.gz ADHLDWOQDWZHGD-DRZSPHRISA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H]1C[C@H](NCCc2nccs2)c2nccn21 ZINC000293894920 384026414 /nfs/dbraw/zinc/02/64/14/384026414.db2.gz GUJUDNSTVCDBQV-ZJUUUORDSA-N 0 1 248.355 2.178 20 0 BEADMN CN(Cc1cn2ccccc2n1)[C@@H]1CCSC1 ZINC000089936397 384013920 /nfs/dbraw/zinc/01/39/20/384013920.db2.gz BOIADHLMYVEAJY-GFCCVEGCSA-N 0 1 247.367 2.272 20 0 BEADMN C[C@@H]1c2ccccc2CN1C(=O)Cc1ccn[nH]1 ZINC000335127040 384031971 /nfs/dbraw/zinc/03/19/71/384031971.db2.gz MXYWEUXCFKEMDF-SNVBAGLBSA-N 0 1 241.294 2.056 20 0 BEADMN CCN(C(=O)c1cc(C)[nH]n1)C1CCCC1 ZINC000131342510 384036845 /nfs/dbraw/zinc/03/68/45/384036845.db2.gz OEIJCSZJRWBLBN-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN CCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115536722 384083309 /nfs/dbraw/zinc/08/33/09/384083309.db2.gz OHYYPWYHGUWPQP-CYBMUJFWSA-N 0 1 232.327 2.134 20 0 BEADMN CCOC[C@@H]1CCC[C@H]1NC(CF)CF ZINC000449381022 384096158 /nfs/dbraw/zinc/09/61/58/384096158.db2.gz QDANZLGCOVCYOH-GXSJLCMTSA-N 0 1 221.291 2.089 20 0 BEADMN C[C@H](NC[C@@H](O)C(C)(C)C)c1nccs1 ZINC000091724077 384106520 /nfs/dbraw/zinc/10/65/20/384106520.db2.gz AARLDXQWKOFRGD-DTWKUNHWSA-N 0 1 228.361 2.201 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499535 384114355 /nfs/dbraw/zinc/11/43/55/384114355.db2.gz OUUJVXRYDJHUCE-AWEZNQCLSA-N 0 1 245.322 2.082 20 0 BEADMN CCOC[C@H]1CCC[C@H]1NC(CF)CF ZINC000449381024 384095136 /nfs/dbraw/zinc/09/51/36/384095136.db2.gz QDANZLGCOVCYOH-MWLCHTKSSA-N 0 1 221.291 2.089 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070733254 384133663 /nfs/dbraw/zinc/13/36/63/384133663.db2.gz BUZJDGNTWJABAY-AEJSXWLSSA-N 0 1 226.345 2.097 20 0 BEADMN CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)[O-] ZINC000116395125 384134261 /nfs/dbraw/zinc/13/42/61/384134261.db2.gz YFEZTAUBPRCOCY-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN C[C@@H](NCCc1ccccn1)c1nccs1 ZINC000070733253 384134743 /nfs/dbraw/zinc/13/47/43/384134743.db2.gz ZHCFRJOLEIPUBV-SNVBAGLBSA-N 0 1 233.340 2.431 20 0 BEADMN Cn1cc(CN2CCC[C@H]2c2cccn2C)cn1 ZINC000071122686 384149871 /nfs/dbraw/zinc/14/98/71/384149871.db2.gz WMUXFJPUHJNAPK-AWEZNQCLSA-N 0 1 244.342 2.096 20 0 BEADMN C[C@H](CO)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000091730201 384141433 /nfs/dbraw/zinc/14/14/33/384141433.db2.gz CNPBRRNWZLJQDF-BDAKNGLRSA-N 0 1 240.372 2.053 20 0 BEADMN Cc1ccc(CNCc2ccn(C)c2)o1 ZINC000080807075 384175692 /nfs/dbraw/zinc/17/56/92/384175692.db2.gz VUCCODIFYGQMLP-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN CC1=C[C@@H](C)C[C@H](CN2CCn3nncc3C2)C1 ZINC000517390701 384158818 /nfs/dbraw/zinc/15/88/18/384158818.db2.gz JKKFBHIZEKJWOE-YPMHNXCESA-N 0 1 246.358 2.086 20 0 BEADMN Cc1ccc(CNCC[S@@](=O)C(C)(C)C)o1 ZINC000116921545 384160636 /nfs/dbraw/zinc/16/06/36/384160636.db2.gz IDBOHBQWBSXDGU-INIZCTEOSA-N 0 1 243.372 2.225 20 0 BEADMN CCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CCC1 ZINC000336573889 384162640 /nfs/dbraw/zinc/16/26/40/384162640.db2.gz ORZAGZIOFVLVFW-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1ccnn1C ZINC000092162093 384165438 /nfs/dbraw/zinc/16/54/38/384165438.db2.gz YTJVYLPVNPKXSS-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN Cc1c[nH]nc1CN1CCCC2(CCOCC2)C1 ZINC000336578712 384170441 /nfs/dbraw/zinc/17/04/41/384170441.db2.gz KVLBYKZRASYYDC-UHFFFAOYSA-N 0 1 249.358 2.111 20 0 BEADMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2n[nH]c(=O)[n-]2)cc1 ZINC000092617475 384185262 /nfs/dbraw/zinc/18/52/62/384185262.db2.gz XESWEHBGKXYUTH-SNVBAGLBSA-N 0 1 246.314 2.012 20 0 BEADMN CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000517746346 384185406 /nfs/dbraw/zinc/18/54/06/384185406.db2.gz BMGPRVRDUYTUKS-UHFFFAOYSA-N 0 1 236.662 2.084 20 0 BEADMN C[C@@H](NCCOCC1CCCC1)c1ccncn1 ZINC000313266663 384182592 /nfs/dbraw/zinc/18/25/92/384182592.db2.gz SDGVWGMBQVVZNW-GFCCVEGCSA-N 0 1 249.358 2.334 20 0 BEADMN C[C@@H]1[C@H](C)SCCN1Cc1ccccn1 ZINC000118533531 384201475 /nfs/dbraw/zinc/20/14/75/384201475.db2.gz JWVCMPUDKJJLIF-MNOVXSKESA-N 0 1 222.357 2.407 20 0 BEADMN C[C@@H]1SCCN(Cc2cccnc2)[C@H]1C ZINC000118533544 384202228 /nfs/dbraw/zinc/20/22/28/384202228.db2.gz BUSVYWGLSLBPAH-QWRGUYRKSA-N 0 1 222.357 2.407 20 0 BEADMN C[C@@H](n1[nH]c(C2CC2)cc1=O)C(C)(C)C ZINC000400316925 384186193 /nfs/dbraw/zinc/18/61/93/384186193.db2.gz DKEZFSLTAUVYOP-MRVPVSSYSA-N 0 1 208.305 2.419 20 0 BEADMN COc1nccc(CNCc2ccc(C)s2)n1 ZINC000296570099 384192089 /nfs/dbraw/zinc/19/20/89/384192089.db2.gz VWJLNWAJZOVVGT-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN CC(=O)CCN1CCCc2occc2C1 ZINC000367408707 384199039 /nfs/dbraw/zinc/19/90/39/384199039.db2.gz YFMVKXGZGXFPSR-UHFFFAOYSA-N 0 1 207.273 2.007 20 0 BEADMN CCN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@H]1C ZINC000066415190 384199855 /nfs/dbraw/zinc/19/98/55/384199855.db2.gz OHOKNBYIGIAJOZ-ZYHUDNBSSA-N 0 1 235.331 2.451 20 0 BEADMN CCC[C@H]1CN(CCc2ccncc2)CCO1 ZINC000132429231 384231012 /nfs/dbraw/zinc/23/10/12/384231012.db2.gz AAVBUCULBDGBNQ-AWEZNQCLSA-N 0 1 234.343 2.125 20 0 BEADMN c1ccc(C[C@@H]2CCN2Cc2cnccn2)cc1 ZINC000560576113 384236887 /nfs/dbraw/zinc/23/68/87/384236887.db2.gz KZRHIPBSUMDTRZ-HNNXBMFYSA-N 0 1 239.322 2.294 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCc1ccccn1 ZINC000072978791 384239645 /nfs/dbraw/zinc/23/96/45/384239645.db2.gz BROQLUKGOLDXLG-OAHLLOKOSA-N 0 1 248.370 2.371 20 0 BEADMN Cc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)n[nH]1 ZINC000294073509 384215691 /nfs/dbraw/zinc/21/56/91/384215691.db2.gz ANBUHBOGRLQHMX-ZYHUDNBSSA-N 0 1 247.342 2.369 20 0 BEADMN CO[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000093171669 384217221 /nfs/dbraw/zinc/21/72/21/384217221.db2.gz KAXSTQVVQLPDKY-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN Clc1cccc(N2CCN(C3CC3)CC2)n1 ZINC000082461165 384224986 /nfs/dbraw/zinc/22/49/86/384224986.db2.gz UEVFRCHVZGVWIY-UHFFFAOYSA-N 0 1 237.734 2.019 20 0 BEADMN CCC1CC(NCc2nnc(C(C)C)[nH]2)C1 ZINC000449404243 384243373 /nfs/dbraw/zinc/24/33/73/384243373.db2.gz BJQNUMMGDWOEQV-UHFFFAOYSA-N 0 1 222.336 2.206 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1cncc(F)c1 ZINC000158554493 384243871 /nfs/dbraw/zinc/24/38/71/384243871.db2.gz IMBWTLPDKKOQSR-JTQLQIEISA-N 0 1 233.290 2.410 20 0 BEADMN CC[C@H]1CN(Cc2ccc(CO)o2)CCS1 ZINC000093502248 384244598 /nfs/dbraw/zinc/24/45/98/384244598.db2.gz ODDWUTJKUBJMSM-LBPRGKRZSA-N 0 1 241.356 2.099 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H](CC(C)C)C2)n[nH]1 ZINC000073193545 384244924 /nfs/dbraw/zinc/24/49/24/384244924.db2.gz RSXNRDAXKIJSGH-LLVKDONJSA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H](C[S@](C)=O)N(C)Cc1cccc(F)c1 ZINC000158563295 384245974 /nfs/dbraw/zinc/24/59/74/384245974.db2.gz VQDFDGOQCBQXGO-MGPLVRAMSA-N 0 1 243.347 2.025 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccs1 ZINC000082602649 384246584 /nfs/dbraw/zinc/24/65/84/384246584.db2.gz WSAFEWPVNSCEJY-JTQLQIEISA-N 0 1 227.329 2.086 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000530964228 384248210 /nfs/dbraw/zinc/24/82/10/384248210.db2.gz NJEAOUIWJSHCIL-SECBINFHSA-N 0 1 245.282 2.294 20 0 BEADMN CN(Cc1ccc(CO)cc1)Cc1ccccn1 ZINC000133203805 384277166 /nfs/dbraw/zinc/27/71/66/384277166.db2.gz XLOLZHBAPBDMGI-UHFFFAOYSA-N 0 1 242.322 2.206 20 0 BEADMN CCCCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000073343001 384249515 /nfs/dbraw/zinc/24/95/15/384249515.db2.gz ZNJCIVPVAPXDTK-GFCCVEGCSA-N 0 1 238.306 2.132 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1cscn1 ZINC000082625988 384250453 /nfs/dbraw/zinc/25/04/53/384250453.db2.gz HIBXAJOFTCRTOX-QWRGUYRKSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)[C@@H](C)N(C)C)c1 ZINC000635395631 384250735 /nfs/dbraw/zinc/25/07/35/384250735.db2.gz QJFUCNPCSXPIOW-GFCCVEGCSA-N 0 1 234.343 2.216 20 0 BEADMN Cn1ccc(CN2CCOC3(CCCC3)C2)c1 ZINC000093588993 384251717 /nfs/dbraw/zinc/25/17/17/384251717.db2.gz LJXLGBDASXNPQO-UHFFFAOYSA-N 0 1 234.343 2.170 20 0 BEADMN Cc1c(CN[C@@H](C)c2cccc(O)c2)cnn1C ZINC000093649953 384257241 /nfs/dbraw/zinc/25/72/41/384257241.db2.gz UVZUXOOLGHNSGC-JTQLQIEISA-N 0 1 245.326 2.285 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)C1 ZINC000082777161 384268772 /nfs/dbraw/zinc/26/87/72/384268772.db2.gz RUDIPSKEEWHZES-ZJUUUORDSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(F)cc1 ZINC000158559764 384242526 /nfs/dbraw/zinc/24/25/26/384242526.db2.gz ZWXFKPSUVZSCAX-MGPLVRAMSA-N 0 1 243.347 2.025 20 0 BEADMN CC[N@@H+](CCOC)Cc1cc(C)c(O)c(C)c1 ZINC000133271788 384282497 /nfs/dbraw/zinc/28/24/97/384282497.db2.gz MEGXIRFLWWYMBW-UHFFFAOYSA-N 0 1 237.343 2.477 20 0 BEADMN C[C@@H](NCCc1cscn1)c1nccs1 ZINC000083143433 384284317 /nfs/dbraw/zinc/28/43/17/384284317.db2.gz CRTXHXUHZZCXFZ-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCCCF)C1CCC1 ZINC000516787372 384290107 /nfs/dbraw/zinc/29/01/07/384290107.db2.gz UFLDPGFWVITEHI-JTQLQIEISA-N 0 1 231.311 2.454 20 0 BEADMN CC[C@@H](COC)N[C@@H](C)c1cc(C)on1 ZINC000282489990 384295800 /nfs/dbraw/zinc/29/58/00/384295800.db2.gz HQRIEAVZZWEGMH-UWVGGRQHSA-N 0 1 212.293 2.059 20 0 BEADMN CCc1ccccc1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000083406696 384299138 /nfs/dbraw/zinc/29/91/38/384299138.db2.gz RNKJJJFEQOQECW-SNVBAGLBSA-N 0 1 221.300 2.154 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000083406767 384299270 /nfs/dbraw/zinc/29/92/70/384299270.db2.gz GSCVLCBHGOBLRY-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN CC(=O)N1CCN([C@H](C)c2ccccc2C)CC1 ZINC000119714432 384299615 /nfs/dbraw/zinc/29/96/15/384299615.db2.gz UCULFVFPSUFOKJ-CYBMUJFWSA-N 0 1 246.354 2.220 20 0 BEADMN Cc1cc(C[N@H+](C)[C@@H](C)C(=O)[O-])c(C)s1 ZINC000083406994 384300418 /nfs/dbraw/zinc/30/04/18/384300418.db2.gz WVWUITNANSHIKP-QMMMGPOBSA-N 0 1 227.329 2.270 20 0 BEADMN C[C@@H](NCc1ccc(F)cc1)c1cnn(C)c1 ZINC000044494700 384335804 /nfs/dbraw/zinc/33/58/04/384335804.db2.gz SFUFBYNNUNVUOX-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN FCCCN1CCN(c2ccccc2F)CC1 ZINC000120258841 384340125 /nfs/dbraw/zinc/34/01/25/384340125.db2.gz KAWSUKMNPJUAAZ-UHFFFAOYSA-N 0 1 240.297 2.307 20 0 BEADMN CN(CC(=O)Nc1cccc(F)c1)C1CCC1 ZINC000075842499 384342490 /nfs/dbraw/zinc/34/24/90/384342490.db2.gz MMKVGIWTXZGHQU-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN FC(F)O[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000558865989 384345245 /nfs/dbraw/zinc/34/52/45/384345245.db2.gz CDAGQNYAYOMETB-MNOVXSKESA-N 0 1 249.301 2.259 20 0 BEADMN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1F ZINC000134628924 384373873 /nfs/dbraw/zinc/37/38/73/384373873.db2.gz QKNYRXNYNVNPQQ-GRYCIOLGSA-N 0 1 235.302 2.413 20 0 BEADMN CS[C@H]1CCCCN(Cc2ccon2)C1 ZINC000134543975 384363990 /nfs/dbraw/zinc/36/39/90/384363990.db2.gz PKUVIOKBHDSSPB-NSHDSACASA-N 0 1 226.345 2.392 20 0 BEADMN CS[C@H]1CCCCN(Cc2ncc[nH]2)C1 ZINC000134571442 384366412 /nfs/dbraw/zinc/36/64/12/384366412.db2.gz DDEXZNKWQAIADU-JTQLQIEISA-N 0 1 225.361 2.127 20 0 BEADMN CCN(Cc1ccc(C)cc1)C1COC1 ZINC000449426917 384368830 /nfs/dbraw/zinc/36/88/30/384368830.db2.gz QUSFQRYZPKQSAJ-UHFFFAOYSA-N 0 1 205.301 2.216 20 0 BEADMN CSC[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000120029762 384326290 /nfs/dbraw/zinc/32/62/90/384326290.db2.gz WYVZMURFDFYMRU-QMMMGPOBSA-N 0 1 249.339 2.044 20 0 BEADMN Cc1nc(CCN2CCS[C@H](C)C2)cs1 ZINC000120671924 384373074 /nfs/dbraw/zinc/37/30/74/384373074.db2.gz WXBUYAKIHKQIMR-SECBINFHSA-N 0 1 242.413 2.431 20 0 BEADMN CC[C@@H]1[C@H](CO)CCN1Cc1ncc(C)s1 ZINC000449426138 384329948 /nfs/dbraw/zinc/32/99/48/384329948.db2.gz QVDHXEQYFQVJDE-WDEREUQCSA-N 0 1 240.372 2.044 20 0 BEADMN CC[C@H]1[C@@H](CO)CCN1Cc1ncc(C)s1 ZINC000449426136 384331141 /nfs/dbraw/zinc/33/11/41/384331141.db2.gz QVDHXEQYFQVJDE-MNOVXSKESA-N 0 1 240.372 2.044 20 0 BEADMN COc1ccnc(CNCCCC(C)C)n1 ZINC000424191715 533055015 /nfs/dbraw/zinc/05/50/15/533055015.db2.gz QTTOPDAFRCNTLE-UHFFFAOYSA-N 0 1 223.320 2.011 20 0 BEADMN CC(C)n1cc(CN2CC[C@@H]2C2CC2)cn1 ZINC000449430106 384394344 /nfs/dbraw/zinc/39/43/44/384394344.db2.gz WIVYFKPZQULYGG-CYBMUJFWSA-N 0 1 219.332 2.448 20 0 BEADMN CCc1nc(NC(=O)C=Cc2ccccc2)n[nH]1 ZINC000255117319 384406212 /nfs/dbraw/zinc/40/62/12/384406212.db2.gz OOWIMMDGFVZVGU-HJWRWDBZSA-N 0 1 242.282 2.019 20 0 BEADMN CCc1n[nH]c(NC(=O)C=Cc2ccccc2)n1 ZINC000255117319 384406218 /nfs/dbraw/zinc/40/62/18/384406218.db2.gz OOWIMMDGFVZVGU-HJWRWDBZSA-N 0 1 242.282 2.019 20 0 BEADMN Fc1cccc(F)c1CCNCc1ccon1 ZINC000402027175 384406773 /nfs/dbraw/zinc/40/67/73/384406773.db2.gz WGQUCKSOLNRPDH-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CN(C)CC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000134995253 384407246 /nfs/dbraw/zinc/40/72/46/384407246.db2.gz QWEIOENYBMUFBV-ZDUSSCGKSA-N 0 1 246.354 2.087 20 0 BEADMN Cc1nc(NC(=O)c2cn[nH]c2C)sc1C ZINC000064860420 384426762 /nfs/dbraw/zinc/42/67/62/384426762.db2.gz NBKYAUIOINDHMQ-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@@H](C)C[C@@H]2C)n1 ZINC000121407106 384414448 /nfs/dbraw/zinc/41/44/48/384414448.db2.gz BHFFTAJGOYJLOZ-MNOVXSKESA-N 0 1 249.358 2.365 20 0 BEADMN Cc1ccc2ncc(CN3CC(C4CC4)C3)n2c1 ZINC000643345259 384377827 /nfs/dbraw/zinc/37/78/27/384377827.db2.gz LEXJVMCQLRLNAE-UHFFFAOYSA-N 0 1 241.338 2.485 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCCc1ccccc1 ZINC000134701819 384381341 /nfs/dbraw/zinc/38/13/41/384381341.db2.gz FFJUBWHBFIKFAA-GFCCVEGCSA-N 0 1 235.327 2.414 20 0 BEADMN Cc1cnc(CN[C@]2(C)CCO[C@@H]2C)s1 ZINC000335608469 384384838 /nfs/dbraw/zinc/38/48/38/384384838.db2.gz PBWMLILQWPIFQD-MWLCHTKSSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H](N[C@@H]1CCC(C)(C)C1)c1ncn(C)n1 ZINC000335608598 384384976 /nfs/dbraw/zinc/38/49/76/384384976.db2.gz VNHHCMYZHDCQBL-VHSXEESVSA-N 0 1 222.336 2.044 20 0 BEADMN Cc1ccncc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000135450096 384446017 /nfs/dbraw/zinc/44/60/17/384446017.db2.gz XWAZOCWUSVHBLV-AWEZNQCLSA-N 0 1 247.386 2.354 20 0 BEADMN CC1(C)CC[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000516799384 384452986 /nfs/dbraw/zinc/45/29/86/384452986.db2.gz VRUAMKKCLNXSOB-CABZTGNLSA-N 0 1 247.342 2.134 20 0 BEADMN Cc1[nH]ncc1CNc1cccc([S@](C)=O)c1 ZINC000121786524 384439198 /nfs/dbraw/zinc/43/91/98/384439198.db2.gz HDNLYLCNJNWKJR-QGZVFWFLSA-N 0 1 249.339 2.068 20 0 BEADMN Cc1c[nH+]ccc1NC([O-])=NOCC(C)C ZINC000122142291 384460969 /nfs/dbraw/zinc/46/09/69/384460969.db2.gz ISRTZWWAVOOVEP-UHFFFAOYSA-N 0 1 223.276 2.099 20 0 BEADMN c1cnn([C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000102409624 384461499 /nfs/dbraw/zinc/46/14/99/384461499.db2.gz MRQZZOCPHDNTHA-AWEZNQCLSA-N 0 1 242.326 2.115 20 0 BEADMN CCN(CCO)Cc1cc(-c2ccccc2)no1 ZINC000047846512 384467787 /nfs/dbraw/zinc/46/77/87/384467787.db2.gz HJIQDBVZHVULMC-UHFFFAOYSA-N 0 1 246.310 2.156 20 0 BEADMN C[C@@H](Cn1ccnc1)N[C@@H](C)c1cscn1 ZINC000161155387 384469381 /nfs/dbraw/zinc/46/93/81/384469381.db2.gz GDYUOKLBEKLRQL-UWVGGRQHSA-N 0 1 236.344 2.079 20 0 BEADMN CCO[C@H]1C[C@H](NCc2ccon2)C12CCC2 ZINC000148699201 384471935 /nfs/dbraw/zinc/47/19/35/384471935.db2.gz XQPGUIOFDPIRKF-RYUDHWBXSA-N 0 1 236.315 2.112 20 0 BEADMN C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000122332167 384475284 /nfs/dbraw/zinc/47/52/84/384475284.db2.gz NTUWZQOJXINZLX-CYBMUJFWSA-N 0 1 223.291 2.173 20 0 BEADMN CC1(C)CCN1Cc1cnn(CC(F)F)c1 ZINC000556808092 384495484 /nfs/dbraw/zinc/49/54/84/384495484.db2.gz XZWFCVDOGRLEHY-UHFFFAOYSA-N 0 1 229.274 2.133 20 0 BEADMN COC(CN(C)[C@@H](C)c1cccc(O)c1)OC ZINC000136793506 384510565 /nfs/dbraw/zinc/51/05/65/384510565.db2.gz ZGASLQSVAAWDMD-JTQLQIEISA-N 0 1 239.315 2.004 20 0 BEADMN Cc1cccc(N2CCC[C@@H](CC(=O)[O-])C2)[nH+]1 ZINC000561087939 384487511 /nfs/dbraw/zinc/48/75/11/384487511.db2.gz ZHYDUGUJIIVJMT-NSHDSACASA-N 0 1 234.299 2.081 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1nc2ccccc2o1 ZINC000335694842 384488002 /nfs/dbraw/zinc/48/80/02/384488002.db2.gz MAWCAESRIDIYHU-QWRGUYRKSA-N 0 1 246.310 2.031 20 0 BEADMN Cc1cnc(CN2CC[C@@H](C)[C@H](C)C2)o1 ZINC000122576635 384492452 /nfs/dbraw/zinc/49/24/52/384492452.db2.gz SJMDYILTVXCMTN-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN COC(CN(C)Cc1cccc(C)c1)OC ZINC000085351419 384518354 /nfs/dbraw/zinc/51/83/54/384518354.db2.gz WCXHDVKDTZNGCE-UHFFFAOYSA-N 0 1 223.316 2.046 20 0 BEADMN COC(CN1CCc2sccc2[C@@H]1C)OC ZINC000085351292 384518553 /nfs/dbraw/zinc/51/85/53/384518553.db2.gz YIZZZYLIFIIYFQ-VIFPVBQESA-N 0 1 241.356 2.286 20 0 BEADMN COc1ccc(-n2[nH]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634593757 384528900 /nfs/dbraw/zinc/52/89/00/384528900.db2.gz YVLRXVNZBJUTRM-ZANVPECISA-N 0 1 244.294 2.444 20 0 BEADMN COC(C[N@@H+]([C@H](C)c1ccco1)C1CC1)OC ZINC000161917958 384544320 /nfs/dbraw/zinc/54/43/20/384544320.db2.gz ZCGAZAKNYZMZBH-SNVBAGLBSA-N 0 1 239.315 2.424 20 0 BEADMN COC(CN([C@H](C)c1ccco1)C1CC1)OC ZINC000161917958 384544327 /nfs/dbraw/zinc/54/43/27/384544327.db2.gz ZCGAZAKNYZMZBH-SNVBAGLBSA-N 0 1 239.315 2.424 20 0 BEADMN COC(C[N@@H+]([C@@H](C)c1ccco1)C1CC1)OC ZINC000161917823 384545073 /nfs/dbraw/zinc/54/50/73/384545073.db2.gz ZCGAZAKNYZMZBH-JTQLQIEISA-N 0 1 239.315 2.424 20 0 BEADMN COC(CN([C@@H](C)c1ccco1)C1CC1)OC ZINC000161917823 384545082 /nfs/dbraw/zinc/54/50/82/384545082.db2.gz ZCGAZAKNYZMZBH-JTQLQIEISA-N 0 1 239.315 2.424 20 0 BEADMN CCc1ccc(C[N@@H+](C)C2CCOCC2)nc1 ZINC000559106830 384551675 /nfs/dbraw/zinc/55/16/75/384551675.db2.gz HBGLMCIWEHUNAN-UHFFFAOYSA-N 0 1 234.343 2.255 20 0 BEADMN CN(CC1CC1)C(=O)c1ccc(F)cc1O ZINC000123467000 384563421 /nfs/dbraw/zinc/56/34/21/384563421.db2.gz BJYUKZNHNCSVQP-UHFFFAOYSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2)C1 ZINC000334746170 384559398 /nfs/dbraw/zinc/55/93/98/384559398.db2.gz OKKWYMSYFJSQIK-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN c1c[nH]c(CNCCSc2ccccc2)n1 ZINC000049715594 384561084 /nfs/dbraw/zinc/56/10/84/384561084.db2.gz NUQAPSJXLVLJOD-UHFFFAOYSA-N 0 1 233.340 2.292 20 0 BEADMN FC1(F)CCC(CN2CCOCC2)CC1 ZINC000334553328 384568585 /nfs/dbraw/zinc/56/85/85/384568585.db2.gz LDUICPRULRMSGW-UHFFFAOYSA-N 0 1 219.275 2.144 20 0 BEADMN CCc1nnc(CNC[C@@](C)(CC)OC)s1 ZINC000319901178 384572462 /nfs/dbraw/zinc/57/24/62/384572462.db2.gz QDBATTUMUWNMOW-LLVKDONJSA-N 0 1 243.376 2.005 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363535077 384575884 /nfs/dbraw/zinc/57/58/84/384575884.db2.gz GOZGYPAZHDREME-ZDUSSCGKSA-N 0 1 249.310 2.005 20 0 BEADMN C[C@H]1C[C@H](NCC(F)(F)CO)CC(C)(C)C1 ZINC000183871157 384578829 /nfs/dbraw/zinc/57/88/29/384578829.db2.gz FYHAXLVBRKOQTM-UWVGGRQHSA-N 0 1 235.318 2.418 20 0 BEADMN OCc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000293017432 384579761 /nfs/dbraw/zinc/57/97/61/384579761.db2.gz KHWYQMCGCHTQRG-ZDUSSCGKSA-N 0 1 223.291 2.113 20 0 BEADMN Cn1ccc(CNCc2cccc3c2OCO3)c1 ZINC000080794534 384580984 /nfs/dbraw/zinc/58/09/84/384580984.db2.gz KMPGWZBWINXVBC-UHFFFAOYSA-N 0 1 244.294 2.044 20 0 BEADMN COC(=O)[C@H]1CCCN1CCCc1ccccc1 ZINC000050048280 384586808 /nfs/dbraw/zinc/58/68/08/384586808.db2.gz MYWHIPFZFOEAMB-CQSZACIVSA-N 0 1 247.338 2.257 20 0 BEADMN CC[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000011797785 384587205 /nfs/dbraw/zinc/58/72/05/384587205.db2.gz FRVNACDMRCLCBO-UHFFFAOYSA-N 0 1 221.300 2.373 20 0 BEADMN CCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080872749 384589448 /nfs/dbraw/zinc/58/94/48/384589448.db2.gz OOZWRNVZYVPTRB-UHFFFAOYSA-N 0 1 235.262 2.118 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C[C@H]1C=CCC1 ZINC000050183240 384606636 /nfs/dbraw/zinc/60/66/36/384606636.db2.gz WRFCJEIUBGTFCX-LBPRGKRZSA-N 0 1 247.342 2.123 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCSc1ccccc1 ZINC000086100374 384608099 /nfs/dbraw/zinc/60/80/99/384608099.db2.gz AJAUFEAIRLLXIR-SNVBAGLBSA-N 0 1 239.340 2.184 20 0 BEADMN Cc1nc(CN(C)[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000362480698 384608788 /nfs/dbraw/zinc/60/87/88/384608788.db2.gz UQONZEGRGYFJTH-VIFPVBQESA-N 0 1 248.305 2.445 20 0 BEADMN CC/C=C/CCN(CCC)CC(=O)OC ZINC000184456547 384609727 /nfs/dbraw/zinc/60/97/27/384609727.db2.gz ZKKCRBFEMSPOSE-VOTSOKGWSA-N 0 1 213.321 2.228 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518769442 384614447 /nfs/dbraw/zinc/61/44/47/384614447.db2.gz VKTZMHGVYFCYHB-IJLUTSLNSA-N 0 1 248.326 2.185 20 0 BEADMN CN[C@H](C)c1cn(CCC(C)(C)C2CC2)nn1 ZINC000406011645 384615573 /nfs/dbraw/zinc/61/55/73/384615573.db2.gz SWENHLDJZVQVNK-SNVBAGLBSA-N 0 1 236.363 2.385 20 0 BEADMN O=C(CC1CCC1)Nc1nc(C2CCC2)n[nH]1 ZINC000184555327 384618421 /nfs/dbraw/zinc/61/84/21/384618421.db2.gz AHUPSAJIAHZQSJ-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN O=C(CC1CCC1)Nc1n[nH]c(C2CCC2)n1 ZINC000184555327 384618429 /nfs/dbraw/zinc/61/84/29/384618429.db2.gz AHUPSAJIAHZQSJ-UHFFFAOYSA-N 0 1 234.303 2.201 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000124201775 384622328 /nfs/dbraw/zinc/62/23/28/384622328.db2.gz BZDKXTGZUKHLQO-AWEZNQCLSA-N 0 1 241.338 2.474 20 0 BEADMN Cc1ccc(CNCc2ccc(CO)o2)s1 ZINC000081555944 384622619 /nfs/dbraw/zinc/62/26/19/384622619.db2.gz CXXUQGSXBJWAGZ-UHFFFAOYSA-N 0 1 237.324 2.432 20 0 BEADMN CN(CCO)Cc1ccccc1OC(F)(F)F ZINC000081647900 384628030 /nfs/dbraw/zinc/62/80/30/384628030.db2.gz MVPYGKBVHJVOAN-UHFFFAOYSA-N 0 1 249.232 2.009 20 0 BEADMN c1cnc(CN2CC(C3CCCCC3)C2)cn1 ZINC000334643999 384630609 /nfs/dbraw/zinc/63/06/09/384630609.db2.gz ACAVSOOXHJBOSQ-UHFFFAOYSA-N 0 1 231.343 2.489 20 0 BEADMN CO[C@@H]1CN(Cc2cnc(C)s2)CC[C@H]1C ZINC000189250839 384631074 /nfs/dbraw/zinc/63/10/74/384631074.db2.gz QQEVFUHILNOSHR-BXKDBHETSA-N 0 1 240.372 2.308 20 0 BEADMN CO[C@@H]1CN(Cc2cnc(C)s2)CC[C@@H]1C ZINC000189250817 384631458 /nfs/dbraw/zinc/63/14/58/384631458.db2.gz QQEVFUHILNOSHR-JOYOIKCWSA-N 0 1 240.372 2.308 20 0 BEADMN CSC[C@H](C)NC(=O)c1ccc(F)cc1O ZINC000123864679 384591590 /nfs/dbraw/zinc/59/15/90/384591590.db2.gz ZTOKVIAKUMTOSZ-ZETCQYMHSA-N 0 1 243.303 2.013 20 0 BEADMN C[C@@H]1CCC[C@@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000517959077 384593814 /nfs/dbraw/zinc/59/38/14/384593814.db2.gz BZDCMVWKTMVAFF-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CCc1ccccc1)Cc1cnccn1 ZINC000080979764 384595906 /nfs/dbraw/zinc/59/59/06/384595906.db2.gz YRXCGCQMBCARCD-UHFFFAOYSA-N 0 1 227.311 2.151 20 0 BEADMN CC(C)[C@@H](O)CNCc1c(F)cccc1F ZINC000123926305 384597249 /nfs/dbraw/zinc/59/72/49/384597249.db2.gz KKMYPODRKLIPAU-LBPRGKRZSA-N 0 1 229.270 2.071 20 0 BEADMN CO[C@@H](CC(C)C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000516657023 384598213 /nfs/dbraw/zinc/59/82/13/384598213.db2.gz SIYURFTXFVVPAG-LBPRGKRZSA-N 0 1 245.363 2.090 20 0 BEADMN CCN(Cc1cnc(C2CC2)s1)[C@@H](C)CO ZINC000556946671 384676036 /nfs/dbraw/zinc/67/60/36/384676036.db2.gz LQPXBKWWJVFYJQ-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN Nc1ccncc1C(=O)NC1CCCCCC1 ZINC000082317443 384665532 /nfs/dbraw/zinc/66/55/32/384665532.db2.gz JTYZPZYLLGZRCM-UHFFFAOYSA-N 0 1 233.315 2.116 20 0 BEADMN CN1CCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000082322408 384666167 /nfs/dbraw/zinc/66/61/67/384666167.db2.gz PXEKSQKAHRMIIH-CQSZACIVSA-N 0 1 244.338 2.060 20 0 BEADMN Cc1n[nH]c(C(=O)NC2CCCCCC2)c1C ZINC000082317294 384667265 /nfs/dbraw/zinc/66/72/65/384667265.db2.gz NELQSXDUPVQWFM-UHFFFAOYSA-N 0 1 235.331 2.479 20 0 BEADMN CC(C)[C@H](CC(F)(F)F)NCc1cc[nH]n1 ZINC000336657429 384667426 /nfs/dbraw/zinc/66/74/26/384667426.db2.gz IJUKKWMTVZXZRP-VIFPVBQESA-N 0 1 235.253 2.476 20 0 BEADMN CCc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1 ZINC000082323258 384668605 /nfs/dbraw/zinc/66/86/05/384668605.db2.gz DTUPCYLRIYDDPI-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN Cc1ccnc(NCC[C@H](O)C(F)(F)F)c1 ZINC000309861973 384672169 /nfs/dbraw/zinc/67/21/69/384672169.db2.gz MZMCMTNTSGEEDZ-QMMMGPOBSA-N 0 1 234.221 2.115 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCCOC2)o1 ZINC000356982956 384672331 /nfs/dbraw/zinc/67/23/31/384672331.db2.gz LPMGGMQZMLCZJL-RYUDHWBXSA-N 0 1 238.331 2.402 20 0 BEADMN Cc1noc([C@H](C)NCCCC(C)C)n1 ZINC000336749184 384672324 /nfs/dbraw/zinc/67/23/24/384672324.db2.gz FBNRDFKSPBKUPT-VIFPVBQESA-N 0 1 211.309 2.465 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@@H]2CCCOC2)o1 ZINC000356982906 384673879 /nfs/dbraw/zinc/67/38/79/384673879.db2.gz LPMGGMQZMLCZJL-NEPJUHHUSA-N 0 1 238.331 2.402 20 0 BEADMN CC[C@@H](C)NC(=O)C[N@H+]1CCCC(C)(C)CC1 ZINC000172916079 384635874 /nfs/dbraw/zinc/63/58/74/384635874.db2.gz RETFXAILIYYFJD-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594007 384648654 /nfs/dbraw/zinc/64/86/54/384648654.db2.gz KFVVKSMULZYQAS-ZDUSSCGKSA-N 0 1 233.311 2.326 20 0 BEADMN COC(=O)c1occc1CN(C)C1CCCC1 ZINC000185481109 384728042 /nfs/dbraw/zinc/72/80/42/384728042.db2.gz MLALYLHOGUWBPM-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN Cn1ccc(CN2CCCC(C)(C)C2)n1 ZINC000271125781 384724559 /nfs/dbraw/zinc/72/45/59/384724559.db2.gz KTZDPIYQAFRLKV-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)[nH]1 ZINC000269832483 384724975 /nfs/dbraw/zinc/72/49/75/384724975.db2.gz JNPYFKLYHQLXTJ-ZJUUUORDSA-N 0 1 235.331 2.226 20 0 BEADMN C[C@@H](N[C@H]1CC12CC2)c1cc2n(n1)CCC2 ZINC000335249036 384678260 /nfs/dbraw/zinc/67/82/60/384678260.db2.gz MKKFXLZMQHZTCX-SKDRFNHKSA-N 0 1 217.316 2.032 20 0 BEADMN CCCCN(CCO)Cc1cnc(Cl)s1 ZINC000086776643 384682837 /nfs/dbraw/zinc/68/28/37/384682837.db2.gz FBQDIPAYXNSIEV-UHFFFAOYSA-N 0 1 248.779 2.391 20 0 BEADMN CC(C)N(CCO)Cc1nc2ccccc2o1 ZINC000049826611 384683002 /nfs/dbraw/zinc/68/30/02/384683002.db2.gz CCLKFYMCTMTCRU-UHFFFAOYSA-N 0 1 234.299 2.031 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 ZINC000124905421 384683186 /nfs/dbraw/zinc/68/31/86/384683186.db2.gz JLGVCHVIQUITCR-SCVCMEIPSA-N 0 1 233.315 2.203 20 0 BEADMN CCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000049843444 384683410 /nfs/dbraw/zinc/68/34/10/384683410.db2.gz YNSFCNOUZVJYMD-CYBMUJFWSA-N 0 1 233.311 2.471 20 0 BEADMN CCOCCNCc1cccc(O)c1Cl ZINC000294228078 384684560 /nfs/dbraw/zinc/68/45/60/384684560.db2.gz SRDOCAYWFDNXLS-UHFFFAOYSA-N 0 1 229.707 2.172 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000335917656 384684951 /nfs/dbraw/zinc/68/49/51/384684951.db2.gz VPZGYIMGWTXDNN-GCZXYKMCSA-N 0 1 247.342 2.161 20 0 BEADMN CC(C)(O)CNCc1c(F)cccc1Cl ZINC000082546266 384689388 /nfs/dbraw/zinc/68/93/88/384689388.db2.gz JHPJTSYCNUYYMN-UHFFFAOYSA-N 0 1 231.698 2.340 20 0 BEADMN CCc1nc(CN2CCCc3ccccc32)n[nH]1 ZINC000185171857 384689355 /nfs/dbraw/zinc/68/93/55/384689355.db2.gz AGKSATWCGVPZNQ-UHFFFAOYSA-N 0 1 242.326 2.320 20 0 BEADMN C[C@@H](O)CN(C)Cc1cc(-c2ccccc2)no1 ZINC000051838202 384693812 /nfs/dbraw/zinc/69/38/12/384693812.db2.gz VDYZCEUXIBYCNW-LLVKDONJSA-N 0 1 246.310 2.154 20 0 BEADMN CCCc1csc(CN[C@@H]2CCO[C@H]2C)n1 ZINC000309903060 384712467 /nfs/dbraw/zinc/71/24/67/384712467.db2.gz ISDZPBVVEDYPQF-GXSJLCMTSA-N 0 1 240.372 2.363 20 0 BEADMN CCCc1csc(CN[C@H]2CCO[C@@H]2C)n1 ZINC000309903064 384712833 /nfs/dbraw/zinc/71/28/33/384712833.db2.gz ISDZPBVVEDYPQF-KOLCDFICSA-N 0 1 240.372 2.363 20 0 BEADMN CCCc1csc(CN[C@@H]2CCCOC2)n1 ZINC000309922459 384718132 /nfs/dbraw/zinc/71/81/32/384718132.db2.gz SYQGSEJXOHQDJY-SNVBAGLBSA-N 0 1 240.372 2.364 20 0 BEADMN CCCc1csc(CN[C@H]2CCCOC2)n1 ZINC000309922458 384718189 /nfs/dbraw/zinc/71/81/89/384718189.db2.gz SYQGSEJXOHQDJY-JTQLQIEISA-N 0 1 240.372 2.364 20 0 BEADMN CC(C)(C)CN(CCCO)Cc1nccs1 ZINC000125509628 384721938 /nfs/dbraw/zinc/72/19/38/384721938.db2.gz CTIMXOLEMOJPFV-UHFFFAOYSA-N 0 1 242.388 2.374 20 0 BEADMN CSC1(C[NH2+]Cc2ncccc2[O-])CCC1 ZINC000309933659 384722475 /nfs/dbraw/zinc/72/24/75/384722475.db2.gz YZIBWWIYKGEFNC-UHFFFAOYSA-N 0 1 238.356 2.163 20 0 BEADMN FC1(F)CC(CN2CCOCC23CCC3)C1 ZINC000336188284 384722394 /nfs/dbraw/zinc/72/23/94/384722394.db2.gz FVYXMFDNJXXTGX-UHFFFAOYSA-N 0 1 231.286 2.287 20 0 BEADMN CCO[C@H]1C[C@H](N(C)Cc2cnccn2)C1(C)C ZINC000557048277 384774629 /nfs/dbraw/zinc/77/46/29/384774629.db2.gz JWLRZPBIJPHCSK-STQMWFEESA-N 0 1 249.358 2.112 20 0 BEADMN CC(C)=CCNCc1cnc([C@H](C)O)s1 ZINC000289591623 384775672 /nfs/dbraw/zinc/77/56/72/384775672.db2.gz IOKZMKUILJGDPH-VIFPVBQESA-N 0 1 226.345 2.252 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2n[nH]cc2C)C12CCC2 ZINC000449637370 384780970 /nfs/dbraw/zinc/78/09/70/384780970.db2.gz ZHYAXPOLGNXUTG-OLZOCXBDSA-N 0 1 249.358 2.108 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000086789885 384777312 /nfs/dbraw/zinc/77/73/12/384777312.db2.gz SGWFXCSMPBHTIK-CYBMUJFWSA-N 0 1 233.311 2.210 20 0 BEADMN CCONC(=O)[C@@H](C)c1c(F)cccc1F ZINC000126156676 384777351 /nfs/dbraw/zinc/77/73/51/384777351.db2.gz LVNZJQZRDZUUNK-ZETCQYMHSA-N 0 1 229.226 2.136 20 0 BEADMN CCCc1ncc(CN[C@@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000449614025 384730936 /nfs/dbraw/zinc/73/09/36/384730936.db2.gz UGAVDSADTBHZEK-JFGNBEQYSA-N 0 1 238.331 2.283 20 0 BEADMN Cc1cnc([C@@H](C)NCCC(C)(C)O)s1 ZINC000126083286 384731426 /nfs/dbraw/zinc/73/14/26/384731426.db2.gz BRJWKHKGSWRXKU-SECBINFHSA-N 0 1 228.361 2.263 20 0 BEADMN CC[C@H]1CC[C@H](C)N1c1ncnc2[nH]cnc21 ZINC000271488365 384735508 /nfs/dbraw/zinc/73/55/08/384735508.db2.gz VKVXYYHPMJFNGI-IUCAKERBSA-N 0 1 231.303 2.120 20 0 BEADMN COCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125685938 384740051 /nfs/dbraw/zinc/74/00/51/384740051.db2.gz WMIVWZXLZFBTIP-UHFFFAOYSA-N 0 1 248.370 2.072 20 0 BEADMN CCCc1csc(CN[C@H](CO)C(C)C)n1 ZINC000309958090 384740878 /nfs/dbraw/zinc/74/08/78/384740878.db2.gz JOWIHIFJEPLXFV-LLVKDONJSA-N 0 1 242.388 2.202 20 0 BEADMN CC(C)n1ccnc1CN1CCC[C@H]1C ZINC000173981989 384742642 /nfs/dbraw/zinc/74/26/42/384742642.db2.gz GIPQGORDZWEPPI-LLVKDONJSA-N 0 1 207.321 2.448 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@@H]1CCC[C@H]1C ZINC000185893464 384781016 /nfs/dbraw/zinc/78/10/16/384781016.db2.gz YHKUJLMWHFCAJT-KOLCDFICSA-N 0 1 235.331 2.161 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H](C)C2CC2)[nH]1 ZINC001645212789 1172642775 /nfs/dbraw/zinc/64/27/75/1172642775.db2.gz LDIDYESZIIXIGY-SECBINFHSA-N 0 1 235.331 2.025 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@](C)(N)c1ccccc1 ZINC000052883035 384752771 /nfs/dbraw/zinc/75/27/71/384752771.db2.gz IFKHGDJUUGAFLK-OAHLLOKOSA-N 0 1 248.370 2.365 20 0 BEADMN Cc1nnc(CN2[C@@H](C)CCC[C@@H]2C)o1 ZINC000108864638 384756113 /nfs/dbraw/zinc/75/61/13/384756113.db2.gz GPFUVYPNUCRPHW-IUCAKERBSA-N 0 1 209.293 2.141 20 0 BEADMN CC(C)C[N@@H+](CC(=O)[O-])Cc1cccc(F)c1 ZINC000062742972 384757722 /nfs/dbraw/zinc/75/77/22/384757722.db2.gz DZLVXQVDPFRXAM-UHFFFAOYSA-N 0 1 239.290 2.368 20 0 BEADMN Cc1nn(C)cc1CN[C@@H]1CCCc2occc21 ZINC000125961574 384762812 /nfs/dbraw/zinc/76/28/12/384762812.db2.gz DULCWEUPHXRITJ-CYBMUJFWSA-N 0 1 245.326 2.489 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1ccc2ccccc2c1 ZINC000076561733 384768133 /nfs/dbraw/zinc/76/81/33/384768133.db2.gz GMKPEINNIQBIHA-UHFFFAOYSA-N 0 1 229.279 2.356 20 0 BEADMN Cn1c(Cl)cnc1CNCCC(C)(F)F ZINC000294342487 384768902 /nfs/dbraw/zinc/76/89/02/384768902.db2.gz YQCQJWJNLYNYFZ-UHFFFAOYSA-N 0 1 237.681 2.208 20 0 BEADMN CCN(CC(F)F)C(=O)c1cc(C2CC2)[nH]n1 ZINC000185777774 384771541 /nfs/dbraw/zinc/77/15/41/384771541.db2.gz PNMALPWEMFPUGL-UHFFFAOYSA-N 0 1 243.257 2.014 20 0 BEADMN C[N@@H+](CCCO)Cc1ccc(Cl)s1 ZINC000042213068 384771733 /nfs/dbraw/zinc/77/17/33/384771733.db2.gz GPTFDFKLFQVFLM-UHFFFAOYSA-N 0 1 219.737 2.216 20 0 BEADMN CN(CCCO)Cc1ccc(Cl)s1 ZINC000042213068 384771741 /nfs/dbraw/zinc/77/17/41/384771741.db2.gz GPTFDFKLFQVFLM-UHFFFAOYSA-N 0 1 219.737 2.216 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)[nH]1 ZINC000103258279 384822091 /nfs/dbraw/zinc/82/20/91/384822091.db2.gz ZGJLGCHRMKRUJE-PSASIEDQSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1nnc(NC(=O)C[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000103258273 384823655 /nfs/dbraw/zinc/82/36/55/384823655.db2.gz ZGJLGCHRMKRUJE-WCBMZHEXSA-N 0 1 236.319 2.268 20 0 BEADMN C[N@H+](Cc1cc(O)cc(F)c1)CC1CC1 ZINC000186192678 384827635 /nfs/dbraw/zinc/82/76/35/384827635.db2.gz UGCCINDRGZIPPS-UHFFFAOYSA-N 0 1 209.264 2.373 20 0 BEADMN CC[C@@H](CC(=O)Nc1nnc(C)[nH]1)C(C)C ZINC000104412171 384827933 /nfs/dbraw/zinc/82/79/33/384827933.db2.gz HTNSPCPVSOMQMI-VIFPVBQESA-N 0 1 224.308 2.124 20 0 BEADMN O=C(c1[nH]nc2ccccc21)N1CCC=C(F)C1 ZINC000335133839 384830356 /nfs/dbraw/zinc/83/03/56/384830356.db2.gz KHLRVGNNQWJQQD-UHFFFAOYSA-N 0 1 245.257 2.262 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000174379459 384783348 /nfs/dbraw/zinc/78/33/48/384783348.db2.gz KKEYFXIQDVAKLI-GWCFXTLKSA-N 0 1 247.342 2.377 20 0 BEADMN COC(=O)c1coc(CN2CCC[C@H]2C)c1 ZINC000174419075 384787992 /nfs/dbraw/zinc/78/79/92/384787992.db2.gz WCIFQCONRNQQRC-SECBINFHSA-N 0 1 223.272 2.051 20 0 BEADMN C[N@@H+](Cc1cccc(C(=O)[O-])c1)C1CCC1 ZINC000127590415 384789046 /nfs/dbraw/zinc/78/90/46/384789046.db2.gz HSPHLZRRLYNPMG-UHFFFAOYSA-N 0 1 219.284 2.369 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000083662580 384790775 /nfs/dbraw/zinc/79/07/75/384790775.db2.gz RZXAJSKOFLEBRC-CYBMUJFWSA-N 0 1 233.311 2.471 20 0 BEADMN CCc1ccccc1CNCc1ccnn1C ZINC000104075749 384796639 /nfs/dbraw/zinc/79/66/39/384796639.db2.gz MOOMYSDYMLXTBH-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CCCC1(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000635686519 384797154 /nfs/dbraw/zinc/79/71/54/384797154.db2.gz WFMBFQDQZGDTKD-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)c1ccc2c(c1)CCCN2C(=O)CN ZINC000083902973 384810309 /nfs/dbraw/zinc/81/03/09/384810309.db2.gz KFNVQSAIEBUDRD-UHFFFAOYSA-N 0 1 232.327 2.048 20 0 BEADMN C[N@H+](Cc1cccc(F)c1)C[C@H]1CCC[C@@H]1O ZINC000053882417 384811318 /nfs/dbraw/zinc/81/13/18/384811318.db2.gz IVQALUNZIPPIEX-OCCSQVGLSA-N 0 1 237.318 2.419 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccc(Cl)cn2)CO1 ZINC000647199140 384869751 /nfs/dbraw/zinc/86/97/51/384869751.db2.gz OMRLIGSLAXVOME-KCJUWKMLSA-N 0 1 226.707 2.002 20 0 BEADMN CCc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)n[nH]1 ZINC000175119143 384869789 /nfs/dbraw/zinc/86/97/89/384869789.db2.gz HPLRLNDXKFXYLY-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN CN(Cc1nnc[nH]1)Cc1cccc(Cl)c1 ZINC000174803619 384839524 /nfs/dbraw/zinc/83/95/24/384839524.db2.gz PHIJOGLEOUQCFN-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1csnn1 ZINC000398283566 384888053 /nfs/dbraw/zinc/88/80/53/384888053.db2.gz XKRGFIROXKZBBC-IMSYWVGJSA-N 0 1 223.345 2.377 20 0 BEADMN Cc1cnc([C@H](C)CNCc2ccon2)s1 ZINC000634975790 384855145 /nfs/dbraw/zinc/85/51/45/384855145.db2.gz HEUBBYJRFNPONC-MRVPVSSYSA-N 0 1 237.328 2.333 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2C[C@@H]2C)s1 ZINC000308600614 384855644 /nfs/dbraw/zinc/85/56/44/384855644.db2.gz APHBVVDDKMCGCK-ZKWXMUAHSA-N 0 1 211.334 2.153 20 0 BEADMN COC(=O)c1ccc(CN2CCCC2)s1 ZINC000147759772 384857616 /nfs/dbraw/zinc/85/76/16/384857616.db2.gz RNGHAWVILHUBPE-UHFFFAOYSA-N 0 1 225.313 2.131 20 0 BEADMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000177051166 384857776 /nfs/dbraw/zinc/85/77/76/384857776.db2.gz GUFUQWHSNUXNQW-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)cc1 ZINC000092940200 384859980 /nfs/dbraw/zinc/85/99/80/384859980.db2.gz GMWODDGRROECPH-CABZTGNLSA-N 0 1 237.274 2.121 20 0 BEADMN CN(C(=O)CN1C2CCC1CC2)c1ccccc1 ZINC000648211829 384864261 /nfs/dbraw/zinc/86/42/61/384864261.db2.gz LJLOYPOCXNCLDR-UHFFFAOYSA-N 0 1 244.338 2.276 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccc(C)nc1 ZINC000057591124 384956873 /nfs/dbraw/zinc/95/68/73/384956873.db2.gz LYWNODYKSSXSKE-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN CC[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186873535 384892487 /nfs/dbraw/zinc/89/24/87/384892487.db2.gz KCTZWYLKNWOQGD-UHFFFAOYSA-N 0 1 232.327 2.047 20 0 BEADMN CONC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175330501 384893635 /nfs/dbraw/zinc/89/36/35/384893635.db2.gz XJGNOACJCHYCNE-YFKPBYRVSA-N 0 1 219.693 2.183 20 0 BEADMN CCC[C@@](C)(O)CN[C@@H](C)c1cc(C)on1 ZINC000289617745 384894203 /nfs/dbraw/zinc/89/42/03/384894203.db2.gz GQHNKERARSAAMW-CMPLNLGQSA-N 0 1 226.320 2.185 20 0 BEADMN CCCC[C@@](C)(CO)NCc1csc(C)n1 ZINC000647239902 384912276 /nfs/dbraw/zinc/91/22/76/384912276.db2.gz RWQFRYWAIRRCQF-LBPRGKRZSA-N 0 1 242.388 2.482 20 0 BEADMN C[C@@H](CN[C@@H](C)c1cscn1)C[C@H](C)O ZINC000127868553 384913244 /nfs/dbraw/zinc/91/32/44/384913244.db2.gz CCIDWKYICIATOI-UTLUCORTSA-N 0 1 228.361 2.201 20 0 BEADMN CCC[C@](C)(O)CN[C@H](C)c1cscn1 ZINC000127851895 384914840 /nfs/dbraw/zinc/91/48/40/384914840.db2.gz WNQKQDAQJMNKKD-KOLCDFICSA-N 0 1 228.361 2.345 20 0 BEADMN CS[C@@H](C)CNCc1csc(C)n1 ZINC000127936393 384923825 /nfs/dbraw/zinc/92/38/25/384923825.db2.gz BLOPUBHLBDERDF-ZETCQYMHSA-N 0 1 216.375 2.293 20 0 BEADMN C[C@H](NCCCCCF)c1csnn1 ZINC000398335966 384937422 /nfs/dbraw/zinc/93/74/22/384937422.db2.gz PDAGRUGWYBVPFQ-QMMMGPOBSA-N 0 1 217.313 2.329 20 0 BEADMN CN(Cc1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000106886581 384940597 /nfs/dbraw/zinc/94/05/97/384940597.db2.gz ILAKPHTUXPPNKC-SNVBAGLBSA-N 0 1 227.254 2.186 20 0 BEADMN COC[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000175710128 384948054 /nfs/dbraw/zinc/94/80/54/384948054.db2.gz MKAZICLIHJGHFI-CQSZACIVSA-N 0 1 230.311 2.492 20 0 BEADMN Cc1nccc(NCC2=CCOCC2)c1Cl ZINC000336194075 384948602 /nfs/dbraw/zinc/94/86/02/384948602.db2.gz SBCUHOBSJGXHPO-UHFFFAOYSA-N 0 1 238.718 2.224 20 0 BEADMN CCc1ccc(CN2CC[C@@](O)(C(F)F)C2)o1 ZINC000449479240 384967064 /nfs/dbraw/zinc/96/70/64/384967064.db2.gz ZMRJSZCSQDWCHK-LBPRGKRZSA-N 0 1 245.269 2.044 20 0 BEADMN F[C@H]1CC[C@@H](NCc2cscn2)C1 ZINC000306448070 384967729 /nfs/dbraw/zinc/96/77/29/384967729.db2.gz VMYUNCAGDZAWGP-JGVFFNPUSA-N 0 1 200.282 2.123 20 0 BEADMN CO[C@@H](CNCc1conc1C)c1ccccc1 ZINC000339204024 384973573 /nfs/dbraw/zinc/97/35/73/384973573.db2.gz XYAMGAPUWJHTRB-AWEZNQCLSA-N 0 1 246.310 2.460 20 0 BEADMN CCC(C)(C)OCCNCc1ccns1 ZINC000404490999 385022077 /nfs/dbraw/zinc/02/20/77/385022077.db2.gz IVUIFIGHBCPLHN-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN CCCCCCNc1ccncc1C(N)=O ZINC000302242729 384986563 /nfs/dbraw/zinc/98/65/63/384986563.db2.gz YPZULFFPASZDAQ-UHFFFAOYSA-N 0 1 221.304 2.173 20 0 BEADMN CSCCCc1nc(C2(N)CCCC2)no1 ZINC000339386975 384992142 /nfs/dbraw/zinc/99/21/42/384992142.db2.gz YTZQSTNLTZQSTP-UHFFFAOYSA-N 0 1 241.360 2.093 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C[C@H]1C=CCCC1 ZINC000187892110 384993088 /nfs/dbraw/zinc/99/30/88/384993088.db2.gz OBJNZDWZPFBHEV-NSHDSACASA-N 0 1 233.315 2.081 20 0 BEADMN Cc1ccoc1CN(C)C[C@H]1CCCO1 ZINC000128090238 384993936 /nfs/dbraw/zinc/99/39/36/384993936.db2.gz WPSNOFWVKNAOAW-LLVKDONJSA-N 0 1 209.289 2.199 20 0 BEADMN CC[C@@H](O)CNCc1nc(C(C)C)cs1 ZINC000644600445 385002810 /nfs/dbraw/zinc/00/28/10/385002810.db2.gz SBYKTIYXHUZXNQ-SECBINFHSA-N 0 1 228.361 2.127 20 0 BEADMN Cc1nnc(CN[C@@]2(C)CCCC[C@@H]2C)o1 ZINC000308708086 385006740 /nfs/dbraw/zinc/00/67/40/385006740.db2.gz KNHHZRUGLWUHNC-CABZTGNLSA-N 0 1 223.320 2.436 20 0 BEADMN Cc1nnc(CNC2(C(C)C)CC2)s1 ZINC000339510473 385010669 /nfs/dbraw/zinc/01/06/69/385010669.db2.gz HNALOQQSEBFFDP-UHFFFAOYSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1cc(CNCc2ccc(O)cc2)sn1 ZINC000404472795 385018026 /nfs/dbraw/zinc/01/80/26/385018026.db2.gz ZLZPEWAVLGSJQH-UHFFFAOYSA-N 0 1 234.324 2.447 20 0 BEADMN CCN(CC(=O)N[C@H](C)c1ccccc1)C1CC1 ZINC000058723455 385020160 /nfs/dbraw/zinc/02/01/60/385020160.db2.gz GAKHUHXDXHYCOM-GFCCVEGCSA-N 0 1 246.354 2.348 20 0 BEADMN CCCn1cc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000339590604 385020585 /nfs/dbraw/zinc/02/05/85/385020585.db2.gz RNVGVJLLFHKGTD-NWDGAFQWSA-N 0 1 225.311 2.273 20 0 BEADMN C[N@@H+](CCCO)Cc1cc(Cl)ccc1F ZINC000259186393 384961213 /nfs/dbraw/zinc/96/12/13/384961213.db2.gz ZMSQQFWVUMSSLK-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CN(CCCO)Cc1cc(Cl)ccc1F ZINC000259186393 384961222 /nfs/dbraw/zinc/96/12/22/384961222.db2.gz ZMSQQFWVUMSSLK-UHFFFAOYSA-N 0 1 231.698 2.293 20 0 BEADMN CC[C@H](O)CN[C@@](C)(CC)c1nccs1 ZINC000130548719 385048792 /nfs/dbraw/zinc/04/87/92/385048792.db2.gz AAAJZZBRUJTNHR-ONGXEEELSA-N 0 1 228.361 2.129 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000086802960 385049579 /nfs/dbraw/zinc/04/95/79/385049579.db2.gz OQJMBSHLXFNYKS-NSHDSACASA-N 0 1 243.253 2.260 20 0 BEADMN CC(C)OCCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000518397763 385050701 /nfs/dbraw/zinc/05/07/01/385050701.db2.gz JXQYQWFBKUJWHB-NSHDSACASA-N 0 1 243.347 2.129 20 0 BEADMN Cc1nnc(C[N@@H+](C2CC2)C2CCCCC2)[nH]1 ZINC000644657150 385065647 /nfs/dbraw/zinc/06/56/47/385065647.db2.gz SGDFGQFZNIZEAA-UHFFFAOYSA-N 0 1 234.347 2.410 20 0 BEADMN Cc1nnc(CN(C2CC2)C2CCCCC2)[nH]1 ZINC000644657150 385065655 /nfs/dbraw/zinc/06/56/55/385065655.db2.gz SGDFGQFZNIZEAA-UHFFFAOYSA-N 0 1 234.347 2.410 20 0 BEADMN C[C@@H]1CC[C@@H](C[N@H+]2CCn3cccc3[C@@H]2C)O1 ZINC000188567749 385068000 /nfs/dbraw/zinc/06/80/00/385068000.db2.gz YYDOEYHLVLVFOL-AGIUHOORSA-N 0 1 234.343 2.432 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCn3cccc3[C@@H]2C)O1 ZINC000188567749 385068004 /nfs/dbraw/zinc/06/80/04/385068004.db2.gz YYDOEYHLVLVFOL-AGIUHOORSA-N 0 1 234.343 2.432 20 0 BEADMN CC(C)CCN(C)Cc1n[nH]c(C(C)C)n1 ZINC000644658664 385069575 /nfs/dbraw/zinc/06/95/75/385069575.db2.gz IXCRYWFOFVRDDZ-UHFFFAOYSA-N 0 1 224.352 2.406 20 0 BEADMN c1nnsc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000334151520 385074485 /nfs/dbraw/zinc/07/44/85/385074485.db2.gz KVUQSCDKWIPXNK-ONGXEEELSA-N 0 1 223.345 2.303 20 0 BEADMN COCCCC[N@@H+](C)Cc1cc(C)ccn1 ZINC000642727231 385041144 /nfs/dbraw/zinc/04/11/44/385041144.db2.gz QVJAKXPVCPFNFG-UHFFFAOYSA-N 0 1 222.332 2.248 20 0 BEADMN Cc1ccc2nc(NC(=O)c3cnco3)[nH]c2c1 ZINC000646983269 385115457 /nfs/dbraw/zinc/11/54/57/385115457.db2.gz QFEDSCKTLUXPLY-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CCC[C@H](C)CN1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361656343 385116042 /nfs/dbraw/zinc/11/60/42/385116042.db2.gz SOPSLLJTVBIFIC-UUIJZJDISA-N 0 1 231.405 2.264 20 0 BEADMN CO[C@H]([C@H](C)NCc1nc(C)cs1)C1CC1 ZINC000388298760 385139930 /nfs/dbraw/zinc/13/99/30/385139930.db2.gz MQQSZLQMZZYJIJ-JOYOIKCWSA-N 0 1 240.372 2.355 20 0 BEADMN Cc1cc(CC(=O)NC2C[C@H](C)C[C@H](C)C2)[nH]n1 ZINC000176431892 385086506 /nfs/dbraw/zinc/08/65/06/385086506.db2.gz HFQRITGSWWQZPX-DHHPTOIESA-N 0 1 249.358 2.202 20 0 BEADMN Cc1nc(CN2CC[C@@H]2c2cccc(F)c2)n[nH]1 ZINC000644671963 385088631 /nfs/dbraw/zinc/08/86/31/385088631.db2.gz ZFYYNNSQLIHWBE-GFCCVEGCSA-N 0 1 246.289 2.199 20 0 BEADMN CC1=C(C)CN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC000646966767 385091607 /nfs/dbraw/zinc/09/16/07/385091607.db2.gz JNAJHVVLDQXCPS-UHFFFAOYSA-N 0 1 247.342 2.256 20 0 BEADMN Cc1ccnc(NC(=O)c2cn[nH]c2C(C)C)c1 ZINC000188875120 385102473 /nfs/dbraw/zinc/10/24/73/385102473.db2.gz PVRZLMAESLDLMO-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)N1CCN[C@H](C)C1 ZINC000188442785 385103560 /nfs/dbraw/zinc/10/35/60/385103560.db2.gz YUDLONXXGVTTHT-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cnc(CN[C@H]2CC23CC3)s1 ZINC000424188167 385106884 /nfs/dbraw/zinc/10/68/84/385106884.db2.gz XETVOMIUXZNUQY-VIFPVBQESA-N 0 1 208.330 2.348 20 0 BEADMN C[C@H]1C[N@H+]([C@H]2CCCOC2)Cc2ccccc2O1 ZINC000644784608 385181613 /nfs/dbraw/zinc/18/16/13/385181613.db2.gz JAIGLFUCDCZNJX-JSGCOSHPSA-N 0 1 247.338 2.449 20 0 BEADMN Cn1ccc(CNCc2ccc(Cl)nc2)c1 ZINC000165535712 385144407 /nfs/dbraw/zinc/14/44/07/385144407.db2.gz GRJSUUPJEWSFHB-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN C[C@@H](N(C)Cc1nccn1C)C1(C)CC1 ZINC000177221411 385200257 /nfs/dbraw/zinc/20/02/57/385200257.db2.gz AYFFPKIUSLUKAM-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CN(C)Cc1ccnc(NC(=O)C2CC=CC2)c1 ZINC000176923317 385157025 /nfs/dbraw/zinc/15/70/25/385157025.db2.gz OXXRFOMCKHTLJT-UHFFFAOYSA-N 0 1 245.326 2.048 20 0 BEADMN Cc1cnn(C)c1CN1CCS[C@@H](C)[C@@H]1C ZINC000289519012 385200560 /nfs/dbraw/zinc/20/05/60/385200560.db2.gz FWHFFHSTIGTNKB-QWRGUYRKSA-N 0 1 239.388 2.054 20 0 BEADMN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCCOC1 ZINC000424319524 385161177 /nfs/dbraw/zinc/16/11/77/385161177.db2.gz IKFCQVLZIBEPFX-MJBXVCDLSA-N 0 1 235.302 2.392 20 0 BEADMN Cc1csc(CN2C[C@H]3CC[C@@H]2C3)n1 ZINC000129560442 385162804 /nfs/dbraw/zinc/16/28/04/385162804.db2.gz JKJISIOYNWKONT-VHSXEESVSA-N 0 1 208.330 2.436 20 0 BEADMN CC(C)(C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000189632301 385174326 /nfs/dbraw/zinc/17/43/26/385174326.db2.gz JGILNXIWDNFAON-UHFFFAOYSA-N 0 1 235.331 2.207 20 0 BEADMN C[C@@H](C(=O)N(C)C)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000177072651 385178529 /nfs/dbraw/zinc/17/85/29/385178529.db2.gz PLONZJZIILXWKY-DYEKYZERSA-N 0 1 246.354 2.156 20 0 BEADMN CO[C@@](C)(CNCc1ncc[nH]1)c1ccccc1 ZINC000449483486 385180417 /nfs/dbraw/zinc/18/04/17/385180417.db2.gz IVCKXYMWUVXTDF-AWEZNQCLSA-N 0 1 245.326 2.061 20 0 BEADMN CN(Cc1ccccc1F)CC1(CO)CC1 ZINC000190043123 385207798 /nfs/dbraw/zinc/20/77/98/385207798.db2.gz LEAJHUNQECSHKD-UHFFFAOYSA-N 0 1 223.291 2.030 20 0 BEADMN Cc1nc(CSc2c[nH]nn2)c(C)s1 ZINC000335742289 385213175 /nfs/dbraw/zinc/21/31/75/385213175.db2.gz OZYNTBUOECBBSQ-UHFFFAOYSA-N 0 1 226.330 2.170 20 0 BEADMN Cc1cc(CNC(=O)[C@@]2(C)CCC[C@H]2C)n[nH]1 ZINC000648329686 385216649 /nfs/dbraw/zinc/21/66/49/385216649.db2.gz CFGBAIWVAIBKKL-RNCFNFMXSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cc(CNC(=O)[C@]2(C)CC=CCC2)n[nH]1 ZINC000648329732 385216738 /nfs/dbraw/zinc/21/67/38/385216738.db2.gz KATUVMRORMTIHB-CYBMUJFWSA-N 0 1 233.315 2.081 20 0 BEADMN CC(C)c1noc([C@@H](C)Sc2c[nH]nn2)n1 ZINC000177373913 385231419 /nfs/dbraw/zinc/23/14/19/385231419.db2.gz FWBVKUBAAPNLGA-ZCFIWIBFSA-N 0 1 239.304 2.164 20 0 BEADMN Cc1cnc([C@H](C)N[C@@H]2CSC[C@@H]2C)o1 ZINC000308862780 385231905 /nfs/dbraw/zinc/23/19/05/385231905.db2.gz PTHLBJQWMCIDMH-UJNFCWOMSA-N 0 1 226.345 2.385 20 0 BEADMN CCc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)n[nH]1 ZINC000110713243 385257193 /nfs/dbraw/zinc/25/71/93/385257193.db2.gz CAUDYNCHHIJFLW-NXEZZACHSA-N 0 1 235.331 2.375 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nccs1 ZINC000301021050 385238034 /nfs/dbraw/zinc/23/80/34/385238034.db2.gz PZEYWTRNRYPCLM-MRVPVSSYSA-N 0 1 214.334 2.046 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000153254212 385242918 /nfs/dbraw/zinc/24/29/18/385242918.db2.gz UPLVUCPWPHNECZ-PHIMTYICSA-N 0 1 249.310 2.298 20 0 BEADMN CC(C)n1cc(CNC(C)(C)CF)cn1 ZINC000308888726 385244472 /nfs/dbraw/zinc/24/44/72/385244472.db2.gz WRQQROVFMJLIPG-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000290578144 385249746 /nfs/dbraw/zinc/24/97/46/385249746.db2.gz ZFTOXINITQCGOP-GXSJLCMTSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1nc(CC(=O)NOCC(C)C)c(C)s1 ZINC000153350748 385249971 /nfs/dbraw/zinc/24/99/71/385249971.db2.gz QBAMXNFAARZWFX-UHFFFAOYSA-N 0 1 242.344 2.006 20 0 BEADMN FCCNCc1cc2c(cccc2F)[nH]1 ZINC000308885811 385250800 /nfs/dbraw/zinc/25/08/00/385250800.db2.gz SVWOMGCZCRNTFT-UHFFFAOYSA-N 0 1 210.227 2.366 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@@H+](C)C2CCCC2)n1 ZINC000177508562 385252922 /nfs/dbraw/zinc/25/29/22/385252922.db2.gz JDLJGIZNVSNSBW-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+](C)C2CCCC2)n1 ZINC000177508562 385252930 /nfs/dbraw/zinc/25/29/30/385252930.db2.gz JDLJGIZNVSNSBW-UHFFFAOYSA-N 0 1 235.331 2.119 20 0 BEADMN C[C@@H](O)[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000129904645 385203125 /nfs/dbraw/zinc/20/31/25/385203125.db2.gz OJTZBAXSQLUDEW-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN COC(=O)c1occc1CN1CC[C@H](C)[C@H]1C ZINC000177900172 385303655 /nfs/dbraw/zinc/30/36/55/385303655.db2.gz YYQALRHNTGPGFZ-VHSXEESVSA-N 0 1 237.299 2.297 20 0 BEADMN NC1(c2noc([C@@H]3CC34CC4)n2)CCCCC1 ZINC000643943118 385305321 /nfs/dbraw/zinc/30/53/21/385305321.db2.gz UUHYBYRMFIDSBZ-VIFPVBQESA-N 0 1 233.315 2.455 20 0 BEADMN CCCC[N@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912483 385305920 /nfs/dbraw/zinc/30/59/20/385305920.db2.gz POUOPIBGBVKKNH-JTQLQIEISA-N 0 1 223.320 2.284 20 0 BEADMN CCCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000177912483 385305923 /nfs/dbraw/zinc/30/59/23/385305923.db2.gz POUOPIBGBVKKNH-JTQLQIEISA-N 0 1 223.320 2.284 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2cccnc2)[C@H](C)[C@H](C)O1 ZINC000361850168 385309086 /nfs/dbraw/zinc/30/90/86/385309086.db2.gz PUICOJIFRGMIGQ-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)[C@H](C)[C@H](C)O1 ZINC000361850168 385309089 /nfs/dbraw/zinc/30/90/89/385309089.db2.gz PUICOJIFRGMIGQ-UPJWGTAASA-N 0 1 234.343 2.122 20 0 BEADMN COC(=O)c1ccc(CNCC=C(C)C)o1 ZINC000191615399 385310811 /nfs/dbraw/zinc/31/08/11/385310811.db2.gz XMELNCZKUVKRLQ-UHFFFAOYSA-N 0 1 223.272 2.122 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)C2)c(Cl)c1 ZINC000235885986 385324430 /nfs/dbraw/zinc/32/44/30/385324430.db2.gz SECBBHXFIMSOOE-LLVKDONJSA-N 0 1 225.719 2.215 20 0 BEADMN CCN(CC(N)=O)Cc1ccc(C(C)(C)C)cc1 ZINC000191712346 385318811 /nfs/dbraw/zinc/31/88/11/385318811.db2.gz HOSPJFVAAWMNCU-UHFFFAOYSA-N 0 1 248.370 2.291 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177547548 385258518 /nfs/dbraw/zinc/25/85/18/385258518.db2.gz JWOCLZPVXBLKOT-MBNYWOFBSA-N 0 1 247.338 2.426 20 0 BEADMN Cc1nnc([C@H](C)NC2(C(C)C)CC2)o1 ZINC000331474851 385259434 /nfs/dbraw/zinc/25/94/34/385259434.db2.gz KNMQFNQCWDUACJ-QMMMGPOBSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@]1(NCc2cccnc2Cl)CCOC1 ZINC000120117798 385268559 /nfs/dbraw/zinc/26/85/59/385268559.db2.gz HFRGYLMOVZEHKK-NSHDSACASA-N 0 1 226.707 2.004 20 0 BEADMN CCC1(CC)CN(C(C)C)CC[S@]1=O ZINC000336405388 385272253 /nfs/dbraw/zinc/27/22/53/385272253.db2.gz XNHQCKJNTORRCE-CQSZACIVSA-N 0 1 217.378 2.018 20 0 BEADMN CN(Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000153798300 385281253 /nfs/dbraw/zinc/28/12/53/385281253.db2.gz DUSJFASTTJNBLP-UHFFFAOYSA-N 0 1 207.321 2.232 20 0 BEADMN CCCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191162715 385287063 /nfs/dbraw/zinc/28/70/63/385287063.db2.gz DMKSHYVPHNOKNJ-GFCCVEGCSA-N 0 1 239.388 2.310 20 0 BEADMN COC[C@H](NCC[C@@H](C)F)c1ccco1 ZINC000308939920 385296662 /nfs/dbraw/zinc/29/66/62/385296662.db2.gz LWKKXCNVQSIEOO-ZJUUUORDSA-N 0 1 215.268 2.305 20 0 BEADMN COC[C@H](CC(C)C)NCc1nccs1 ZINC000308944188 385299310 /nfs/dbraw/zinc/29/93/10/385299310.db2.gz NEICRUXPJCFGDJ-JTQLQIEISA-N 0 1 228.361 2.294 20 0 BEADMN Cc1ccsc1CN(C)[C@@H](C)C[S@](C)=O ZINC000131042724 385301139 /nfs/dbraw/zinc/30/11/39/385301139.db2.gz VSRAAYYTQDHIBV-ZUZCIYMTSA-N 0 1 245.413 2.255 20 0 BEADMN Cc1c(CN[C@@H](C)c2cncs2)cnn1C ZINC000131564004 385344740 /nfs/dbraw/zinc/34/47/40/385344740.db2.gz QOGMOTUTFVFDHC-QMMMGPOBSA-N 0 1 236.344 2.036 20 0 BEADMN FCCNCc1cccc(OC(F)F)c1 ZINC000280648454 385346215 /nfs/dbraw/zinc/34/62/15/385346215.db2.gz JMJFUGGGSICKIQ-UHFFFAOYSA-N 0 1 219.206 2.347 20 0 BEADMN CC/C=C/CNCc1c(C)nn(C)c1Cl ZINC000294973933 385349235 /nfs/dbraw/zinc/34/92/35/385349235.db2.gz GBAXRLSTYFLLMW-AATRIKPKSA-N 0 1 227.739 2.438 20 0 BEADMN C[C@@H](CNCc1cocn1)N(C)c1ccccc1 ZINC000192286206 385350123 /nfs/dbraw/zinc/35/01/23/385350123.db2.gz IQSXYNXFOZGUJJ-LBPRGKRZSA-N 0 1 245.326 2.289 20 0 BEADMN CSC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000294169847 385350984 /nfs/dbraw/zinc/35/09/84/385350984.db2.gz RHWJIFXFMPTKHX-IVZWLZJFSA-N 0 1 225.361 2.230 20 0 BEADMN Cc1nnc(CCNc2cc(C)ccn2)s1 ZINC000291261918 385359957 /nfs/dbraw/zinc/35/99/57/385359957.db2.gz ZDXUDIPPRXVXKM-UHFFFAOYSA-N 0 1 234.328 2.205 20 0 BEADMN CCCc1ccc(C(=O)N2CCN[C@H](C)C2)cc1 ZINC000155195202 385380590 /nfs/dbraw/zinc/38/05/90/385380590.db2.gz TXPCYNWWXMIYKN-GFCCVEGCSA-N 0 1 246.354 2.073 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000178904794 385424307 /nfs/dbraw/zinc/42/43/07/385424307.db2.gz JDHRTRZIDFURKB-GWCFXTLKSA-N 0 1 249.285 2.220 20 0 BEADMN Cc1cn[nH]c1CNCc1nc(C)c(C)s1 ZINC000336709172 385392690 /nfs/dbraw/zinc/39/26/90/385392690.db2.gz RBCCXCXWKTXKDB-UHFFFAOYSA-N 0 1 236.344 2.081 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408011533 385396910 /nfs/dbraw/zinc/39/69/10/385396910.db2.gz XQYOYBNBOPVYNN-NXEZZACHSA-N 0 1 239.319 2.001 20 0 BEADMN CC=CC=CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000364392573 385406628 /nfs/dbraw/zinc/40/66/28/385406628.db2.gz WCBOHTOTCNIJKB-MQQKCMAXSA-N 0 1 245.326 2.248 20 0 BEADMN C[C@H](NCCF)c1ccc2n[nH]cc2c1 ZINC000309096905 385407527 /nfs/dbraw/zinc/40/75/27/385407527.db2.gz DFHUVWHOPJBSSK-QMMMGPOBSA-N 0 1 207.252 2.183 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1cc[nH]n1 ZINC000309096435 385407531 /nfs/dbraw/zinc/40/75/31/385407531.db2.gz FATHZGZCNBNTFT-ZETCQYMHSA-N 0 1 221.226 2.230 20 0 BEADMN CC[C@H](CC(F)(F)F)NCc1cc[nH]n1 ZINC000309096431 385407651 /nfs/dbraw/zinc/40/76/51/385407651.db2.gz FATHZGZCNBNTFT-SSDOTTSWSA-N 0 1 221.226 2.230 20 0 BEADMN Cc1ccc(CN2CC[C@H](O)C2)cc1Cl ZINC000193714455 385409769 /nfs/dbraw/zinc/40/97/69/385409769.db2.gz PYISCIXBJJMJBH-NSHDSACASA-N 0 1 225.719 2.215 20 0 BEADMN C[N@@H+](CCc1c(F)cccc1Cl)CC(=O)[O-] ZINC000178908682 385426116 /nfs/dbraw/zinc/42/61/16/385426116.db2.gz XEBPZKJYCCVFMA-UHFFFAOYSA-N 0 1 245.681 2.038 20 0 BEADMN Cc1cc(CN(C)CCc2nccs2)on1 ZINC000179082034 385439135 /nfs/dbraw/zinc/43/91/35/385439135.db2.gz ISGIEITYCRMDQY-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN CC[C@](C)(NC[C@@H](C)OC)c1nccs1 ZINC000182341365 385439651 /nfs/dbraw/zinc/43/96/51/385439651.db2.gz IUGGBQCNQGKKFQ-KOLCDFICSA-N 0 1 228.361 2.393 20 0 BEADMN CN(Cc1ccncc1)C[C@H]1CCC=CO1 ZINC000194629098 385442643 /nfs/dbraw/zinc/44/26/43/385442643.db2.gz UYLSKHMMPSWGDM-CYBMUJFWSA-N 0 1 218.300 2.206 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2N)CCCO1 ZINC000156378323 385448602 /nfs/dbraw/zinc/44/86/02/385448602.db2.gz VNRCXOMYJFNDCJ-SNVBAGLBSA-N 0 1 238.306 2.019 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000170817877 385449280 /nfs/dbraw/zinc/44/92/80/385449280.db2.gz CHNLNSOFCNZHQQ-GFCCVEGCSA-N 0 1 223.291 2.437 20 0 BEADMN CO[C@@H](C)CN(C)Cc1ccc(Cl)nc1 ZINC000182215090 385433172 /nfs/dbraw/zinc/43/31/72/385433172.db2.gz DLFWDDSVJVBOCF-VIFPVBQESA-N 0 1 228.723 2.202 20 0 BEADMN C[C@H]1OCCN(Cc2ccccc2)[C@H]1C ZINC000156113197 385436847 /nfs/dbraw/zinc/43/68/47/385436847.db2.gz BLWKKFHAEBJAEQ-NWDGAFQWSA-N 0 1 205.301 2.296 20 0 BEADMN c1cc(CN2CCC[C@H](n3cncn3)C2)cs1 ZINC000179470615 385466477 /nfs/dbraw/zinc/46/64/77/385466477.db2.gz PGHIMWNTQGZTKY-LBPRGKRZSA-N 0 1 248.355 2.177 20 0 BEADMN Cc1nc(CSc2cc(C)cc(C)n2)n[nH]1 ZINC000644105373 385480942 /nfs/dbraw/zinc/48/09/42/385480942.db2.gz DLLOHEDMAHSGIQ-UHFFFAOYSA-N 0 1 234.328 2.417 20 0 BEADMN CC[C@H](N[C@H](C)c1cc2ccccc2o1)C(N)=O ZINC000182625984 385460721 /nfs/dbraw/zinc/46/07/21/385460721.db2.gz XJUHQPOZHKJCGS-KOLCDFICSA-N 0 1 246.310 2.347 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(N)=O ZINC000182625947 385461390 /nfs/dbraw/zinc/46/13/90/385461390.db2.gz XJUHQPOZHKJCGS-ONGXEEELSA-N 0 1 246.310 2.347 20 0 BEADMN CC(C)(C)OC[C@H](O)CN1Cc2ccccc2C1 ZINC000106304267 385505039 /nfs/dbraw/zinc/50/50/39/385505039.db2.gz RFMNKBNAMDLRGA-CQSZACIVSA-N 0 1 249.354 2.178 20 0 BEADMN CCC[C@@](C)(O)CNCc1ncc(C)s1 ZINC000295259591 385507899 /nfs/dbraw/zinc/50/78/99/385507899.db2.gz UXDHKTFZIXIZRA-LLVKDONJSA-N 0 1 228.361 2.092 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCCC1(C)C ZINC000616928122 385490432 /nfs/dbraw/zinc/49/04/32/385490432.db2.gz XJVAUZOJTHSTFH-NSHDSACASA-N 0 1 235.331 2.194 20 0 BEADMN CC(C)c1cnc(CNCCN2CCC2)s1 ZINC000309322721 385532041 /nfs/dbraw/zinc/53/20/41/385532041.db2.gz FMCVBHPVNMOZGL-UHFFFAOYSA-N 0 1 239.388 2.062 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CSC[C@H]1C ZINC000309304602 385526596 /nfs/dbraw/zinc/52/65/96/385526596.db2.gz AJUZQRQVFUUGRH-MNOVXSKESA-N 0 1 239.388 2.305 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ncc(C)s2)C1 ZINC000180529567 385526784 /nfs/dbraw/zinc/52/67/84/385526784.db2.gz CRHDNBQBDGDZTC-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CC(C)C[C@H]1CCCCCN1C(=O)CN(C)C ZINC000173258700 385550971 /nfs/dbraw/zinc/55/09/71/385550971.db2.gz HRKJODYIKYQJDZ-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN O=C(c1ccc(O)c(Cl)c1)N1CCCCO1 ZINC000180903001 385554281 /nfs/dbraw/zinc/55/42/81/385554281.db2.gz FCWHWPBJLLFZDM-UHFFFAOYSA-N 0 1 241.674 2.213 20 0 BEADMN FC(F)O[C@@H]1CCC[C@@H]1NCc1nccs1 ZINC000337310346 385590932 /nfs/dbraw/zinc/59/09/32/385590932.db2.gz UNOBPJLAFAQXKK-JGVFFNPUSA-N 0 1 248.298 2.393 20 0 BEADMN Cc1cnc(CN[C@H]2CCO[C@@H]2C2CC2)s1 ZINC000336724501 385617046 /nfs/dbraw/zinc/61/70/46/385617046.db2.gz FKTVCOYMXJSSGY-CMPLNLGQSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1cnc(CN[C@@H]2CCO[C@@H]2C2CC2)s1 ZINC000336724511 385618337 /nfs/dbraw/zinc/61/83/37/385618337.db2.gz FKTVCOYMXJSSGY-ZYHUDNBSSA-N 0 1 238.356 2.109 20 0 BEADMN Cl/C=C/CN1CCC(n2cccn2)CC1 ZINC000365150724 385618685 /nfs/dbraw/zinc/61/86/85/385618685.db2.gz LFFFMBGEUGWPHA-ORCRQEGFSA-N 0 1 225.723 2.273 20 0 BEADMN C[N@H+](C/C=C\c1ccccc1)CCC(=O)[O-] ZINC000216326604 385625192 /nfs/dbraw/zinc/62/51/92/385625192.db2.gz MSLAPWAGWMHJII-YVMONPNESA-N 0 1 219.284 2.106 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2F)no1 ZINC000054444555 385629086 /nfs/dbraw/zinc/62/90/86/385629086.db2.gz XWJAQTADUBDDRS-SSDOTTSWSA-N 0 1 221.235 2.156 20 0 BEADMN C[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000182044764 385629933 /nfs/dbraw/zinc/62/99/33/385629933.db2.gz MWOISSWVWCRQHV-UHFFFAOYSA-N 0 1 245.278 2.093 20 0 BEADMN C[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000182044764 385629939 /nfs/dbraw/zinc/62/99/39/385629939.db2.gz MWOISSWVWCRQHV-UHFFFAOYSA-N 0 1 245.278 2.093 20 0 BEADMN C[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000182025814 385630427 /nfs/dbraw/zinc/63/04/27/385630427.db2.gz URZWFBOXSUXOCE-ZDUSSCGKSA-N 0 1 219.328 2.197 20 0 BEADMN Cc1nnc([C@H](C)NCCC2CC2)s1 ZINC000336651705 385635276 /nfs/dbraw/zinc/63/52/76/385635276.db2.gz JYABSNGAUBOATE-ZETCQYMHSA-N 0 1 211.334 2.297 20 0 BEADMN CCC1(CNCC(F)F)CCOCC1 ZINC000336650309 385612607 /nfs/dbraw/zinc/61/26/07/385612607.db2.gz APYKGTSTGUNGTM-UHFFFAOYSA-N 0 1 207.264 2.048 20 0 BEADMN COC[C@H](N[C@@H](C)COC(C)C)c1ccco1 ZINC000337346718 385613035 /nfs/dbraw/zinc/61/30/35/385613035.db2.gz WRUHUNMNRZGBAM-RYUDHWBXSA-N 0 1 241.331 2.370 20 0 BEADMN COC[C@@H](N[C@@H](C)COC(C)C)c1ccco1 ZINC000337346717 385613115 /nfs/dbraw/zinc/61/31/15/385613115.db2.gz WRUHUNMNRZGBAM-NWDGAFQWSA-N 0 1 241.331 2.370 20 0 BEADMN CO[C@@H](C)CN(Cc1ccccn1)C1CC1 ZINC000182398330 385664529 /nfs/dbraw/zinc/66/45/29/385664529.db2.gz ISSSVEJBOJVNIY-NSHDSACASA-N 0 1 220.316 2.081 20 0 BEADMN CO[C@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000182229171 385646125 /nfs/dbraw/zinc/64/61/25/385646125.db2.gz KTALNCBRXQUMMW-SECBINFHSA-N 0 1 230.739 2.145 20 0 BEADMN Cc1nc(C)c(CN[C@H](C)CF)s1 ZINC000336652225 385648630 /nfs/dbraw/zinc/64/86/30/385648630.db2.gz KQQQSFQINXPRDH-ZCFIWIBFSA-N 0 1 202.298 2.208 20 0 BEADMN CCCN(c1nc(N)nc2c1CCCC2)C1CC1 ZINC000645206652 385652266 /nfs/dbraw/zinc/65/22/66/385652266.db2.gz SULMYIHLNCYQRL-UHFFFAOYSA-N 0 1 246.358 2.147 20 0 BEADMN C[C@]1(F)CCCN(CCOC2CCC2)C1 ZINC000451116680 385653359 /nfs/dbraw/zinc/65/33/59/385653359.db2.gz SHWYBXULVCTZDR-LBPRGKRZSA-N 0 1 215.312 2.380 20 0 BEADMN CC1(C)C[C@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000372723567 385656221 /nfs/dbraw/zinc/65/62/21/385656221.db2.gz CHYFHUIKWGQVFM-NSHDSACASA-N 0 1 247.342 2.162 20 0 BEADMN CSCCCN(C)Cc1cncc(F)c1 ZINC000281400035 385666290 /nfs/dbraw/zinc/66/62/90/385666290.db2.gz XKKMMVQUPQSUTB-UHFFFAOYSA-N 0 1 228.336 2.406 20 0 BEADMN CN(Cc1cncs1)C[C@@H]1CCCC[C@H]1O ZINC000252770953 385659915 /nfs/dbraw/zinc/65/99/15/385659915.db2.gz LHYBWXDTGIXENJ-CMPLNLGQSA-N 0 1 240.372 2.126 20 0 BEADMN FCCNCc1c[nH]nc1-c1ccsc1 ZINC000336734438 385662852 /nfs/dbraw/zinc/66/28/52/385662852.db2.gz NBSZAFZIPDMFEI-UHFFFAOYSA-N 0 1 225.292 2.197 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000281454126 385671765 /nfs/dbraw/zinc/67/17/65/385671765.db2.gz BPWJBLHVZLLMLE-BXKDBHETSA-N 0 1 243.310 2.481 20 0 BEADMN CC(C)n1c(=[NH2+])[n-]nc1SCCCCF ZINC000336684178 385672710 /nfs/dbraw/zinc/67/27/10/385672710.db2.gz KDFMOMXQZODICB-UHFFFAOYSA-N 0 1 232.328 2.113 20 0 BEADMN Cc1ncc(C(=O)N2[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000270124719 385672780 /nfs/dbraw/zinc/67/27/80/385672780.db2.gz RPULLXOWDKAQCR-DTORHVGOSA-N 0 1 221.304 2.121 20 0 BEADMN CC[C@H]1CN([C@@H](C)c2cnccn2)CCCO1 ZINC000281477326 385674469 /nfs/dbraw/zinc/67/44/69/385674469.db2.gz SCBLDBDCEKLLCB-RYUDHWBXSA-N 0 1 235.331 2.039 20 0 BEADMN C[C@H](N[C@@H]1C=CCCC1)c1nnc2ccccn21 ZINC000182677898 385695123 /nfs/dbraw/zinc/69/51/23/385695123.db2.gz KTBHFAOUHOJFAP-NWDGAFQWSA-N 0 1 242.326 2.489 20 0 BEADMN FC1(F)CCC[C@H](NCc2cocn2)C1 ZINC000336735499 385701196 /nfs/dbraw/zinc/70/11/96/385701196.db2.gz OIRATOQIGWHABC-QMMMGPOBSA-N 0 1 216.231 2.342 20 0 BEADMN CC[C@H](NCc1cscn1)[C@H](O)C(C)C ZINC000414536746 385702495 /nfs/dbraw/zinc/70/24/95/385702495.db2.gz XVWJDOSLSMETBW-WDEREUQCSA-N 0 1 228.361 2.028 20 0 BEADMN CO[C@@H]1CCN(Cc2cncc(F)c2)[C@H](C)C1 ZINC000281842886 385706450 /nfs/dbraw/zinc/70/64/50/385706450.db2.gz YOOIIPGLUMLJKI-ZWNOBZJWSA-N 0 1 238.306 2.220 20 0 BEADMN C[C@@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000281869066 385710204 /nfs/dbraw/zinc/71/02/04/385710204.db2.gz CACKNMFRLHVSOT-BXKDBHETSA-N 0 1 225.719 2.468 20 0 BEADMN CN(CCCc1cccc(F)c1)Cc1nnc[nH]1 ZINC000182835042 385711348 /nfs/dbraw/zinc/71/13/48/385711348.db2.gz UQYXGGTVHSPRBH-UHFFFAOYSA-N 0 1 248.305 2.008 20 0 BEADMN CC(C)(C)C1=CCN(C(=O)c2cnc[nH]2)CC1 ZINC000270516295 385713761 /nfs/dbraw/zinc/71/37/61/385713761.db2.gz ZLYRIOZFLVPPOJ-UHFFFAOYSA-N 0 1 233.315 2.228 20 0 BEADMN CC(C)c1occc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000281431109 385668566 /nfs/dbraw/zinc/66/85/66/385668566.db2.gz JIAFDFVWFYZDNM-QMMMGPOBSA-N 0 1 248.286 2.012 20 0 BEADMN CC(C)c1occc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000281431096 385669802 /nfs/dbraw/zinc/66/98/02/385669802.db2.gz JIAFDFVWFYZDNM-MRVPVSSYSA-N 0 1 248.286 2.012 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2ccn(C)n2)CS1 ZINC000336693208 385737098 /nfs/dbraw/zinc/73/70/98/385737098.db2.gz XRPDFBRRRCCXGO-NWDGAFQWSA-N 0 1 239.388 2.040 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@H]2CCCCO2)s1 ZINC000295522334 385742243 /nfs/dbraw/zinc/74/22/43/385742243.db2.gz VXDZKTSGHIVGBR-WDEREUQCSA-N 0 1 240.372 2.499 20 0 BEADMN CC(C)CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270788083 385744156 /nfs/dbraw/zinc/74/41/56/385744156.db2.gz UORVPBNBMFTLKR-VIFPVBQESA-N 0 1 238.335 2.151 20 0 BEADMN C[C@H](CCC1CC1)NCc1csnn1 ZINC000336697261 385750348 /nfs/dbraw/zinc/75/03/48/385750348.db2.gz UOOOATZWMRLECG-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN Fc1ccc(F)c2c1CC[C@@H]2N[C@H]1CCOC1 ZINC000337679004 385750677 /nfs/dbraw/zinc/75/06/77/385750677.db2.gz UGGJXIMBHYNNDV-UFBFGSQYSA-N 0 1 239.265 2.331 20 0 BEADMN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)nn1 ZINC000282388358 385755475 /nfs/dbraw/zinc/75/54/75/385755475.db2.gz DGYIIHAPUOJXAJ-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN Cc1ccnc(NCC2(CCO)CCC2)c1 ZINC000336736838 385755656 /nfs/dbraw/zinc/75/56/56/385755656.db2.gz MYDKOVOBQACKHB-UHFFFAOYSA-N 0 1 220.316 2.355 20 0 BEADMN Cc1ccc([C@@H](O)CN[C@H](C)c2ccccn2)o1 ZINC000270921992 385760504 /nfs/dbraw/zinc/76/05/04/385760504.db2.gz OCFGXSWAPCEJLK-YPMHNXCESA-N 0 1 246.310 2.367 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)NCc1cn[nH]c1C ZINC000183415842 385761433 /nfs/dbraw/zinc/76/14/33/385761433.db2.gz VVEYLKJWFVNYNR-BDAKNGLRSA-N 0 1 223.320 2.017 20 0 BEADMN CC(C)CCCNC(=O)c1cnccc1N(C)C ZINC000183503965 385766075 /nfs/dbraw/zinc/76/60/75/385766075.db2.gz DVLIQGDIOVJTJI-UHFFFAOYSA-N 0 1 249.358 2.314 20 0 BEADMN CC(C)[N@@H+](C)Cc1cnn2ccccc12 ZINC000271008295 385770505 /nfs/dbraw/zinc/77/05/05/385770505.db2.gz OPCCDBLAPGMBNM-UHFFFAOYSA-N 0 1 203.289 2.175 20 0 BEADMN Cc1ccc(OC(F)F)c(CN(C)CCO)c1 ZINC000271022335 385772654 /nfs/dbraw/zinc/77/26/54/385772654.db2.gz VAHNDJQRKWXMMB-UHFFFAOYSA-N 0 1 245.269 2.021 20 0 BEADMN CCc1ccc(CC[N@@H+](C)CCC(=O)[O-])cc1 ZINC000257660189 385774266 /nfs/dbraw/zinc/77/42/66/385774266.db2.gz CJYBGXFGGLVPMY-UHFFFAOYSA-N 0 1 235.327 2.198 20 0 BEADMN CCCCN(Cc1ccn(C)n1)C1CC1 ZINC000271059481 385778552 /nfs/dbraw/zinc/77/85/52/385778552.db2.gz VPVCZCHOLAXJMJ-UHFFFAOYSA-N 0 1 207.321 2.185 20 0 BEADMN C[C@@H]1C[C@@H]1CNCc1nnc(C2CC2)s1 ZINC000414558970 385779331 /nfs/dbraw/zinc/77/93/31/385779331.db2.gz TZKAMAKJPKFTSB-VXNVDRBHSA-N 0 1 223.345 2.161 20 0 BEADMN CN(CCCc1ccccc1)Cc1ccn(C)n1 ZINC000271064462 385782042 /nfs/dbraw/zinc/78/20/42/385782042.db2.gz IMXJIAVTXLYGIV-UHFFFAOYSA-N 0 1 243.354 2.485 20 0 BEADMN C[C@H](NCc1c[nH]cn1)c1ccc2n[nH]cc2c1 ZINC000353103863 385722645 /nfs/dbraw/zinc/72/26/45/385722645.db2.gz UDKRENHAKCRWFU-VIFPVBQESA-N 0 1 241.298 2.137 20 0 BEADMN CCC1(C)CCN(Cc2cc[nH]n2)CC1 ZINC000271205635 385803596 /nfs/dbraw/zinc/80/35/96/385803596.db2.gz XZTOXPKFFHDHJN-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN CC[C@]1(C)CCCN(Cc2ccc(OC)nn2)C1 ZINC000283015940 385805635 /nfs/dbraw/zinc/80/56/35/385805635.db2.gz GONYSFCWCBPBGO-CQSZACIVSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1ccc(CN2CCN(C3CCC3)CC2)o1 ZINC000271210998 385806074 /nfs/dbraw/zinc/80/60/74/385806074.db2.gz YCEOJBSOJXSZLG-UHFFFAOYSA-N 0 1 234.343 2.258 20 0 BEADMN CC(C)n1cc(CN2CCCCC2)cn1 ZINC000271245806 385807740 /nfs/dbraw/zinc/80/77/40/385807740.db2.gz CEFQJMSFEIWUTE-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN CCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000647800745 385809756 /nfs/dbraw/zinc/80/97/56/385809756.db2.gz BDDPLZIJOLEUDV-UHFFFAOYSA-N 0 1 233.271 2.397 20 0 BEADMN CC(C)C1(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)CC1 ZINC000602634989 385811564 /nfs/dbraw/zinc/81/15/64/385811564.db2.gz RENBUOOXEFMPIZ-ATCWAGBWSA-N 0 1 243.416 2.264 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CC23CCCCC3)c1C ZINC000271295898 385815394 /nfs/dbraw/zinc/81/53/94/385815394.db2.gz FQALKDTYFFKKAZ-NSHDSACASA-N 0 1 247.342 2.479 20 0 BEADMN Cn1cncc1CNCc1cc2ccccc2[nH]1 ZINC000340171488 385819620 /nfs/dbraw/zinc/81/96/20/385819620.db2.gz HKCZNYKUQIHZFJ-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN COc1nccnc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000294496320 385857516 /nfs/dbraw/zinc/85/75/16/385857516.db2.gz ANPDEHTXWOKGGK-GFCCVEGCSA-N 0 1 235.331 2.106 20 0 BEADMN CCCCCC[N@H+]1CCOC[C@@H]1CCOC ZINC000365839369 385823839 /nfs/dbraw/zinc/82/38/39/385823839.db2.gz SYELNRLTIFQMBK-ZDUSSCGKSA-N 0 1 229.364 2.304 20 0 BEADMN C[N@@H+](CCc1cnccn1)Cc1cccc(F)c1 ZINC000271405268 385824919 /nfs/dbraw/zinc/82/49/19/385824919.db2.gz XTDORAGVYNEJLR-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CO[C@H](CN1C[C@H](C)OC[C@@H]1C)c1ccccc1 ZINC000283642697 385826076 /nfs/dbraw/zinc/82/60/76/385826076.db2.gz CIACASOWRGRXRV-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN C[C@H](C1CCCCC1)N(C)C(=O)c1ccn[nH]1 ZINC000283650169 385827106 /nfs/dbraw/zinc/82/71/06/385827106.db2.gz QEBKKCPPDMWNQN-SNVBAGLBSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1cn[nH]c1CN1CCc2ccc(F)cc2C1 ZINC000283727281 385829813 /nfs/dbraw/zinc/82/98/13/385829813.db2.gz BVCFLSHTQSRWGL-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1cnc(C)[nH]1 ZINC000271476788 385831954 /nfs/dbraw/zinc/83/19/54/385831954.db2.gz TVPBKVNZWZAGSZ-SCZZXKLOSA-N 0 1 221.304 2.121 20 0 BEADMN COC[C@H](C)C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000294282622 385832574 /nfs/dbraw/zinc/83/25/74/385832574.db2.gz PAKPSZPPKHMDQT-MRVPVSSYSA-N 0 1 245.269 2.043 20 0 BEADMN Cc1occc1SCCc1c[nH]nn1 ZINC000647917483 385832927 /nfs/dbraw/zinc/83/29/27/385832927.db2.gz HPEIBXIWRCMUBC-UHFFFAOYSA-N 0 1 209.274 2.041 20 0 BEADMN CCS[C@@H]1CCCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261531469 385834736 /nfs/dbraw/zinc/83/47/36/385834736.db2.gz GQDQFOYHSQDZHR-NXEZZACHSA-N 0 1 231.361 2.067 20 0 BEADMN O=C(Nc1n[nH]c2cc(O)ccc21)c1ccco1 ZINC000647803159 385838907 /nfs/dbraw/zinc/83/89/07/385838907.db2.gz FNULGTRSKTZADQ-UHFFFAOYSA-N 0 1 243.222 2.114 20 0 BEADMN CN(Cc1c[nH]nn1)Cc1ccc(Cl)cc1 ZINC000283935064 385840852 /nfs/dbraw/zinc/84/08/52/385840852.db2.gz GYELRAQCBNJFPH-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN c1nn[n-]c1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000283969385 385842506 /nfs/dbraw/zinc/84/25/06/385842506.db2.gz LYJHSWNKRDNKMC-ZIAGYGMSSA-N 0 1 242.326 2.231 20 0 BEADMN Cc1nc(CN[C@H]2CCO[C@@H]2C)sc1C ZINC000121473671 385843427 /nfs/dbraw/zinc/84/34/27/385843427.db2.gz AXCQFFPVURLMPR-SCZZXKLOSA-N 0 1 226.345 2.027 20 0 BEADMN CC(=O)Nc1ccc([C@@H](C)NCCF)cc1 ZINC000336741129 385843482 /nfs/dbraw/zinc/84/34/82/385843482.db2.gz MYGOXTLIDGCXLV-SECBINFHSA-N 0 1 224.279 2.265 20 0 BEADMN C[C@](O)(CNCc1ccsc1)C(F)(F)F ZINC000336718473 385844331 /nfs/dbraw/zinc/84/43/31/385844331.db2.gz YMGNIFSJIFFDEF-QMMMGPOBSA-N 0 1 239.262 2.151 20 0 BEADMN O=C(CC1CC1)Nc1ccccc1-c1nnc[nH]1 ZINC000271684722 385846162 /nfs/dbraw/zinc/84/61/62/385846162.db2.gz QVBGSQDETCIZHJ-UHFFFAOYSA-N 0 1 242.282 2.210 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000262534395 385855001 /nfs/dbraw/zinc/85/50/01/385855001.db2.gz QBRRTAGLFXIZLP-YRGRVCCFSA-N 0 1 247.338 2.413 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000262534365 385855068 /nfs/dbraw/zinc/85/50/68/385855068.db2.gz QBRRTAGLFXIZLP-OUCADQQQSA-N 0 1 247.338 2.413 20 0 BEADMN CS[C@@H]1CCN(Cc2nc(C)cs2)C1 ZINC000294480050 385855832 /nfs/dbraw/zinc/85/58/32/385855832.db2.gz WXUZUMIXMOZVFK-SECBINFHSA-N 0 1 228.386 2.389 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC1(CO)CC1 ZINC000186767700 385790983 /nfs/dbraw/zinc/79/09/83/385790983.db2.gz NJZFZKSLSMLGOW-UHFFFAOYSA-N 0 1 246.310 2.032 20 0 BEADMN CN(Cc1ccn(C)n1)C1Cc2ccccc2C1 ZINC000271145594 385793054 /nfs/dbraw/zinc/79/30/54/385793054.db2.gz RCEKEDSHKATMEI-UHFFFAOYSA-N 0 1 241.338 2.019 20 0 BEADMN Cc1noc([C@H](C)N[C@@H](C)[C@H]2CC2(C)C)n1 ZINC000336740197 385797634 /nfs/dbraw/zinc/79/76/34/385797634.db2.gz MDEYMQLZBSNNBY-OYNCUSHFSA-N 0 1 223.320 2.463 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000338063373 385885475 /nfs/dbraw/zinc/88/54/75/385885475.db2.gz YJEQFFGFAQYINN-KXUCPTDWSA-N 0 1 223.320 2.417 20 0 BEADMN CCC1CCN(Cc2nccnc2OC)CC1 ZINC000294956876 385928792 /nfs/dbraw/zinc/92/87/92/385928792.db2.gz VWBUCZMNBBDDGE-UHFFFAOYSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@]1(C)CCCN(Cc2nccnc2OC)C1 ZINC000294751189 385891002 /nfs/dbraw/zinc/89/10/02/385891002.db2.gz IFRBDJWMPDAHJS-CQSZACIVSA-N 0 1 249.358 2.497 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1cc(F)ncc1F ZINC000294778930 385893057 /nfs/dbraw/zinc/89/30/57/385893057.db2.gz KVSYKSDRRXXKOE-JTQLQIEISA-N 0 1 242.269 2.017 20 0 BEADMN COc1nccc(C[N@H+]2CC[C@H](C)C[C@H]2C)n1 ZINC000294781548 385895228 /nfs/dbraw/zinc/89/52/28/385895228.db2.gz KDBCKDNBCPMGAA-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccc(CN2CC[C@H](C)C[C@H]2C)n1 ZINC000294781548 385895232 /nfs/dbraw/zinc/89/52/32/385895232.db2.gz KDBCKDNBCPMGAA-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN COc1nccnc1CN(C)[C@H](C)C1(C)CC1 ZINC000294789501 385895809 /nfs/dbraw/zinc/89/58/09/385895809.db2.gz KODYKGNOUTTXNM-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)c1nc(CNCc2cccc(F)c2)n[nH]1 ZINC000294792313 385896315 /nfs/dbraw/zinc/89/63/15/385896315.db2.gz MBPLUTLAZKXLFV-UHFFFAOYSA-N 0 1 248.305 2.357 20 0 BEADMN Cc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000294845309 385903255 /nfs/dbraw/zinc/90/32/55/385903255.db2.gz RNWMXNFUVNRTTI-UHFFFAOYSA-N 0 1 242.326 2.280 20 0 BEADMN COc1nccnc1CN(CC(C)C)C1CC1 ZINC000294840864 385903803 /nfs/dbraw/zinc/90/38/03/385903803.db2.gz OFEAKHHJFSJXAX-UHFFFAOYSA-N 0 1 235.331 2.106 20 0 BEADMN CC(C)[C@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000294868850 385908000 /nfs/dbraw/zinc/90/80/00/385908000.db2.gz CMMCUFIDDXTAAO-LBPRGKRZSA-N 0 1 244.342 2.401 20 0 BEADMN FC(F)(F)C1CC(NCc2cocn2)C1 ZINC000336721415 385910490 /nfs/dbraw/zinc/91/04/90/385910490.db2.gz DKNKKXKEIHXERL-UHFFFAOYSA-N 0 1 220.194 2.105 20 0 BEADMN CCc1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000219447867 385929608 /nfs/dbraw/zinc/92/96/08/385929608.db2.gz MDYVBSUKIWOYIL-LLVKDONJSA-N 0 1 247.260 2.262 20 0 BEADMN C[C@H]1CCC[C@@H](Cn2ccnc2CN)C1 ZINC000308938262 385913276 /nfs/dbraw/zinc/91/32/76/385913276.db2.gz UDSYLEVPORWVFI-WDEREUQCSA-N 0 1 207.321 2.168 20 0 BEADMN CCc1ccc(CNCc2n[nH]c(C(C)C)n2)o1 ZINC000294934236 385918809 /nfs/dbraw/zinc/91/88/09/385918809.db2.gz ZQDCRARSDBBWQB-UHFFFAOYSA-N 0 1 248.330 2.373 20 0 BEADMN CC[C@@H](F)CN[C@H](CCO)c1ccccc1 ZINC000336746091 385919510 /nfs/dbraw/zinc/91/95/10/385919510.db2.gz WECMNBUAPHZFHI-CHWSQXEVSA-N 0 1 225.307 2.448 20 0 BEADMN Cc1cn[nH]c1CN(C)[C@@H](C)c1cccnc1 ZINC000284268967 385859747 /nfs/dbraw/zinc/85/97/47/385859747.db2.gz SIMASUQTGIEVSV-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN Cc1cc(C(=O)N2CC(C3CCCCC3)C2)n[nH]1 ZINC000294518885 385861620 /nfs/dbraw/zinc/86/16/20/385861620.db2.gz YTHVHDWGJTYJQQ-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN CC(C)c1ccoc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000284316701 385861739 /nfs/dbraw/zinc/86/17/39/385861739.db2.gz KNOPJAZTYOITSQ-MRVPVSSYSA-N 0 1 248.286 2.012 20 0 BEADMN CO[C@H](CN1CCO[C@H](C)[C@H]1C)c1ccccc1 ZINC000284446740 385868096 /nfs/dbraw/zinc/86/80/96/385868096.db2.gz QOLCOKLRPDCDPJ-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN C[C@]1(CCCO)CCCN1Cc1cscn1 ZINC000272037773 385869461 /nfs/dbraw/zinc/86/94/61/385869461.db2.gz QKKRODLCFAIJJB-GFCCVEGCSA-N 0 1 240.372 2.270 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1ccc2cncn2c1 ZINC000284465160 385870667 /nfs/dbraw/zinc/87/06/67/385870667.db2.gz JOXZWPSHSXGNLQ-NSHDSACASA-N 0 1 245.326 2.451 20 0 BEADMN CCC1(C(=O)N2CCc3nc[nH]c3C2)CCCC1 ZINC000647734766 385875114 /nfs/dbraw/zinc/87/51/14/385875114.db2.gz AZAOUWJSTAGIIR-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN Cc1ccc(CNCc2n[nH]c(C(C)C)n2)o1 ZINC000294688102 385881933 /nfs/dbraw/zinc/88/19/33/385881933.db2.gz CDRFJKVBELZCCM-UHFFFAOYSA-N 0 1 234.303 2.119 20 0 BEADMN CCCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000272182924 385882847 /nfs/dbraw/zinc/88/28/47/385882847.db2.gz DDAPDEVPCMWSAF-UHFFFAOYSA-N 0 1 221.256 2.333 20 0 BEADMN COCc1ccc(C[N@H+]2CC[C@@H](SC)C2)o1 ZINC000295140984 385978345 /nfs/dbraw/zinc/97/83/45/385978345.db2.gz ZRNAQCUBYCFULV-GFCCVEGCSA-N 0 1 241.356 2.363 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161587015 385979199 /nfs/dbraw/zinc/97/91/99/385979199.db2.gz DOBZBTCHTZUJEA-DUFXMDAXSA-N 0 1 249.358 2.202 20 0 BEADMN CO[C@H]1CCN([C@@H](C)c2cnccn2)CC1(C)C ZINC000295155866 385981013 /nfs/dbraw/zinc/98/10/13/385981013.db2.gz AQKSNXDNGMSHIY-AAEUAGOBSA-N 0 1 249.358 2.285 20 0 BEADMN COC[C@]1(C)CCN(Cc2ncc(C)s2)C1 ZINC000295172178 385983195 /nfs/dbraw/zinc/98/31/95/385983195.db2.gz UMMJSSUSHRPBKM-GFCCVEGCSA-N 0 1 240.372 2.310 20 0 BEADMN CC[C@H](COC)NCc1cc(F)cnc1Cl ZINC000295176663 385983220 /nfs/dbraw/zinc/98/32/20/385983220.db2.gz VBMHLCAVTSHTHU-SNVBAGLBSA-N 0 1 246.713 2.389 20 0 BEADMN CC[C@H](NCCF)c1c(C)nn(C)c1C ZINC000336748437 385984551 /nfs/dbraw/zinc/98/45/51/385984551.db2.gz CRVVMWNAHINUEB-JTQLQIEISA-N 0 1 213.300 2.047 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2ccn(C)n2)C1 ZINC000414135178 385985290 /nfs/dbraw/zinc/98/52/90/385985290.db2.gz DHBKYGGFZKKLNR-UTUOFQBUSA-N 0 1 237.347 2.027 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1CCCC(F)(F)C1 ZINC000338374554 385985397 /nfs/dbraw/zinc/98/53/97/385985397.db2.gz USDLEUIMJSPNGS-NXEZZACHSA-N 0 1 249.301 2.305 20 0 BEADMN COC1(CN[C@H](C)c2ccn(C)n2)CCCC1 ZINC000414141297 385989003 /nfs/dbraw/zinc/98/90/03/385989003.db2.gz MCAHZNSMWDOSTM-LLVKDONJSA-N 0 1 237.347 2.030 20 0 BEADMN Cc1noc([C@@H](C)NCCCC(C)C)n1 ZINC000336749183 385990983 /nfs/dbraw/zinc/99/09/83/385990983.db2.gz FBNRDFKSPBKUPT-SECBINFHSA-N 0 1 211.309 2.465 20 0 BEADMN CCC1(C)CCN(Cc2ccnc(OC)n2)CC1 ZINC000294975105 385931834 /nfs/dbraw/zinc/93/18/34/385931834.db2.gz XCERDTJSAXKACW-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN COc1nccnc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000295011480 385941000 /nfs/dbraw/zinc/94/10/00/385941000.db2.gz ZIARIWRICZTMSD-WCQYABFASA-N 0 1 247.342 2.250 20 0 BEADMN Cc1[nH]ncc1CNC(=O)c1cc[nH]c1C(C)C ZINC000285574030 385944322 /nfs/dbraw/zinc/94/43/22/385944322.db2.gz USQMUFDNSYMXHD-UHFFFAOYSA-N 0 1 246.314 2.100 20 0 BEADMN CC(C)C[C@@H](N)c1noc([C@H]2C[C@@H]2C(F)F)n1 ZINC000414614993 385952341 /nfs/dbraw/zinc/95/23/41/385952341.db2.gz HYEABFOPBXVEMX-BIIVOSGPSA-N 0 1 245.273 2.484 20 0 BEADMN C[C@@H](O)CN1CC(Cc2ccccc2Cl)C1 ZINC000414147004 385993710 /nfs/dbraw/zinc/99/37/10/385993710.db2.gz MBGBHXXESZPFRV-SNVBAGLBSA-N 0 1 239.746 2.195 20 0 BEADMN CO[C@@H]1CCN(Cc2cncs2)CC1(C)C ZINC000295071270 385956903 /nfs/dbraw/zinc/95/69/03/385956903.db2.gz RCRZJTBYAOYDJA-LLVKDONJSA-N 0 1 240.372 2.390 20 0 BEADMN COc1cc(C)c(CN[C@@H](C)CF)cc1OC ZINC000342207100 385957092 /nfs/dbraw/zinc/95/70/92/385957092.db2.gz SQLWNMJNFHZVLN-JTQLQIEISA-N 0 1 241.306 2.460 20 0 BEADMN CO[C@H]1CCN(Cc2cncs2)CC1(C)C ZINC000295071272 385957349 /nfs/dbraw/zinc/95/73/49/385957349.db2.gz RCRZJTBYAOYDJA-NSHDSACASA-N 0 1 240.372 2.390 20 0 BEADMN CCC[C@H](CCO)CN[C@@H](C)c1cc(C)on1 ZINC000340491911 385961108 /nfs/dbraw/zinc/96/11/08/385961108.db2.gz TUKBVMGYWTXKHB-NWDGAFQWSA-N 0 1 240.347 2.432 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccccc2O)n1 ZINC000414618403 385962580 /nfs/dbraw/zinc/96/25/80/385962580.db2.gz MNBISSPZDGAWAX-JTQLQIEISA-N 0 1 247.298 2.488 20 0 BEADMN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccccc1F ZINC000345052002 385963652 /nfs/dbraw/zinc/96/36/52/385963652.db2.gz QKNYRXNYNVNPQQ-SRVKXCTJSA-N 0 1 235.302 2.413 20 0 BEADMN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccccc1F ZINC000345052000 385963782 /nfs/dbraw/zinc/96/37/82/385963782.db2.gz QKNYRXNYNVNPQQ-QJPTWQEYSA-N 0 1 235.302 2.413 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@H]1CCCC(F)(F)C1 ZINC000338318621 385966528 /nfs/dbraw/zinc/96/65/28/385966528.db2.gz SBLACHVTBBEJNU-VIFPVBQESA-N 0 1 244.289 2.062 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cccnc1Cl ZINC000289892860 385966567 /nfs/dbraw/zinc/96/65/67/385966567.db2.gz SSTPXYLPXBISBB-BDAKNGLRSA-N 0 1 228.723 2.248 20 0 BEADMN c1cc(CN[C@@H]2CCc3ccccc3OC2)no1 ZINC000338321372 385966839 /nfs/dbraw/zinc/96/68/39/385966839.db2.gz HHJIRCYRLBGBDS-CYBMUJFWSA-N 0 1 244.294 2.158 20 0 BEADMN CCCc1nsc(NCC2CC(F)(F)C2)n1 ZINC000336768998 385975067 /nfs/dbraw/zinc/97/50/67/385975067.db2.gz RHLXBKKVRLFKJC-UHFFFAOYSA-N 0 1 247.314 2.370 20 0 BEADMN CN(CCC1CC1)C(=O)c1ccc(F)cc1O ZINC000124205049 385998505 /nfs/dbraw/zinc/99/85/05/385998505.db2.gz UYMPUZBJAYTMIK-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN Cc1[nH]ccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414627437 385998667 /nfs/dbraw/zinc/99/86/67/385998667.db2.gz RCZYCYPHWPGUSN-JTQLQIEISA-N 0 1 234.303 2.419 20 0 BEADMN CC[C@H](C)[C@H](O)CNc1ccnc(C)c1Cl ZINC000336749836 385999149 /nfs/dbraw/zinc/99/91/49/385999149.db2.gz ZESWDQZHVAYKNV-GZMMTYOYSA-N 0 1 242.750 2.284 20 0 BEADMN CC[C@@H](C)[C@@H](C)NCc1nccc(C)n1 ZINC000336750180 386001765 /nfs/dbraw/zinc/00/17/65/386001765.db2.gz DRHOQTBADSQERU-MWLCHTKSSA-N 0 1 207.321 2.309 20 0 BEADMN COC[C@@H](NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000273474559 386005633 /nfs/dbraw/zinc/00/56/33/386005633.db2.gz GMULHTKADSYKPZ-VXGBXAGGSA-N 0 1 239.315 2.044 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCc1ccccc1 ZINC000335066845 386007074 /nfs/dbraw/zinc/00/70/74/386007074.db2.gz AIARLTZYVBFXTM-UONOGXRCSA-N 0 1 232.371 2.254 20 0 BEADMN C[C@]1(F)CCCN(CCc2ccccn2)C1 ZINC000295304095 386009439 /nfs/dbraw/zinc/00/94/39/386009439.db2.gz FMHFZFLVRUHRPJ-ZDUSSCGKSA-N 0 1 222.307 2.448 20 0 BEADMN C[C@@H](CCNC(=O)CN(C)C)CC(C)(C)C ZINC000189474825 386012859 /nfs/dbraw/zinc/01/28/59/386012859.db2.gz KLFVZYUDTJHZQN-NSHDSACASA-N 0 1 228.380 2.127 20 0 BEADMN CCCCN(C)C(=O)c1cnccc1N(C)C ZINC000273605101 386017207 /nfs/dbraw/zinc/01/72/07/386017207.db2.gz QAJLSWJLYYFPBD-UHFFFAOYSA-N 0 1 235.331 2.020 20 0 BEADMN Cc1sc(CN[C@@H]2CCOC2)nc1C(C)C ZINC000336752664 386019207 /nfs/dbraw/zinc/01/92/07/386019207.db2.gz VYQOLGHUVVIWSK-SNVBAGLBSA-N 0 1 240.372 2.453 20 0 BEADMN NC1(c2noc([C@H]3CC3(F)F)n2)CCCCC1 ZINC000335070540 386019809 /nfs/dbraw/zinc/01/98/09/386019809.db2.gz CCHRVUNGLWELLN-SSDOTTSWSA-N 0 1 243.257 2.310 20 0 BEADMN COc1cnccc1[C@@H](C)NCc1cccn1C ZINC000189561508 386025282 /nfs/dbraw/zinc/02/52/82/386025282.db2.gz KXGNFDXDMGKIRT-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1cnccc1[C@H](C)NCC1=CCCOC1 ZINC000189553547 386026223 /nfs/dbraw/zinc/02/62/23/386026223.db2.gz OULRJWDXMPCHNX-NSHDSACASA-N 0 1 248.326 2.088 20 0 BEADMN CSCCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286380591 386031759 /nfs/dbraw/zinc/03/17/59/386031759.db2.gz ZBQXYOMEPTYSNX-NSHDSACASA-N 0 1 225.361 2.300 20 0 BEADMN COc1nccnc1CN1CC[C@H](C)C(C)(C)C1 ZINC000295433380 386031884 /nfs/dbraw/zinc/03/18/84/386031884.db2.gz OVYSTAJWBLXQLB-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN COC(=O)C(C)(C)CCN(C)Cc1ccco1 ZINC000338546424 386037885 /nfs/dbraw/zinc/03/78/85/386037885.db2.gz MUONIXZIACRRSU-UHFFFAOYSA-N 0 1 239.315 2.301 20 0 BEADMN CC1(C(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000335075524 386042028 /nfs/dbraw/zinc/04/20/28/386042028.db2.gz HKYCQURFLMXJEU-UHFFFAOYSA-N 0 1 227.210 2.409 20 0 BEADMN CCCn1ncnc1CN1CCC[C@@H]1C1CCC1 ZINC000366085945 386057385 /nfs/dbraw/zinc/05/73/85/386057385.db2.gz OZXIKKKDEFRBEL-CYBMUJFWSA-N 0 1 248.374 2.453 20 0 BEADMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1cn[nH]c1 ZINC000222458620 386047433 /nfs/dbraw/zinc/04/74/33/386047433.db2.gz GFIFZRKTGHLSAX-RKDXNWHRSA-N 0 1 234.278 2.356 20 0 BEADMN CCCn1ncnc1CN1CCC[C@H]1C1CCC1 ZINC000366085946 386057650 /nfs/dbraw/zinc/05/76/50/386057650.db2.gz OZXIKKKDEFRBEL-ZDUSSCGKSA-N 0 1 248.374 2.453 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H](C2CC2)C1 ZINC000366124357 386101925 /nfs/dbraw/zinc/10/19/25/386101925.db2.gz MAESAYCLHNGYDC-GFCCVEGCSA-N 0 1 234.347 2.091 20 0 BEADMN CN[C@H](C)c1cn([C@H](C)c2ccccc2)nn1 ZINC000310108709 386102745 /nfs/dbraw/zinc/10/27/45/386102745.db2.gz QEFRVKSKLBXCSA-GHMZBOCLSA-N 0 1 230.315 2.168 20 0 BEADMN COC1([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000414298850 386105140 /nfs/dbraw/zinc/10/51/40/386105140.db2.gz HKYSNAHWLBXQJE-WOPDTQHZSA-N 0 1 249.358 2.436 20 0 BEADMN COc1ccc(C[N@H+]2CCCC3(CC3)C2)cn1 ZINC000274479585 386109358 /nfs/dbraw/zinc/10/93/58/386109358.db2.gz DXYBINDQSJGIIS-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN COc1ccc(CN2CCCC3(CC3)C2)cn1 ZINC000274479585 386109365 /nfs/dbraw/zinc/10/93/65/386109365.db2.gz DXYBINDQSJGIIS-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN O=C([O-])c1ccc2c(c1)C[N@H+](CC1CC1)CC2 ZINC000212070180 386110332 /nfs/dbraw/zinc/11/03/32/386110332.db2.gz VVNNQZWXIVAJNY-UHFFFAOYSA-N 0 1 231.295 2.153 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CCc1ccccc1 ZINC000038024702 386113717 /nfs/dbraw/zinc/11/37/17/386113717.db2.gz PRYBIRZEADFALN-UHFFFAOYSA-N 0 1 221.300 2.026 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)cc1 ZINC000038024704 386114806 /nfs/dbraw/zinc/11/48/06/386114806.db2.gz LUGNNGYJJLWGTO-UHFFFAOYSA-N 0 1 221.300 2.292 20 0 BEADMN Cn1ccc(CNC/C=C\c2ccc(F)cc2)n1 ZINC000345828293 386117698 /nfs/dbraw/zinc/11/76/98/386117698.db2.gz IZCOJWIQWPBNDF-IHWYPQMZSA-N 0 1 245.301 2.362 20 0 BEADMN C(NC1CCCC1)c1nnc(C2CC2)s1 ZINC000414326458 386121385 /nfs/dbraw/zinc/12/13/85/386121385.db2.gz NTELGDFCDPOIFZ-UHFFFAOYSA-N 0 1 223.345 2.448 20 0 BEADMN CO[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000353863994 386059781 /nfs/dbraw/zinc/05/97/81/386059781.db2.gz HLNQXXYWSZBMET-SNVBAGLBSA-N 0 1 240.372 2.487 20 0 BEADMN CO[C@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000353863993 386059823 /nfs/dbraw/zinc/05/98/23/386059823.db2.gz HLNQXXYWSZBMET-JTQLQIEISA-N 0 1 240.372 2.487 20 0 BEADMN Cc1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000274002473 386060283 /nfs/dbraw/zinc/06/02/83/386060283.db2.gz WWUWPHYSIDWURW-UHFFFAOYSA-N 0 1 228.255 2.154 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC(C2CC2)C1 ZINC000643290792 386063592 /nfs/dbraw/zinc/06/35/92/386063592.db2.gz VFXVVBHTRXHFFT-UHFFFAOYSA-N 0 1 235.258 2.013 20 0 BEADMN CC[C@H](C)[C@@H](OC)c1nc(C2(N)CCC2)no1 ZINC000414648871 386065286 /nfs/dbraw/zinc/06/52/86/386065286.db2.gz SMVVHPAYXJZJKP-DTWKUNHWSA-N 0 1 239.319 2.141 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000414213406 386066841 /nfs/dbraw/zinc/06/68/41/386066841.db2.gz RCSYHFCPHIHKIL-KKOKHZNYSA-N 0 1 235.331 2.046 20 0 BEADMN COC[C@H]1CCN1Cc1ccc(OC)c(C)c1 ZINC000354057012 386067378 /nfs/dbraw/zinc/06/73/78/386067378.db2.gz PIVZOUOOUNXECR-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN C[C@H]1C[C@H](N[C@H]2CC2(C)C)c2nccn21 ZINC000414217143 386073386 /nfs/dbraw/zinc/07/33/86/386073386.db2.gz BNYWLCGZVLQILW-GUBZILKMSA-N 0 1 205.305 2.277 20 0 BEADMN CC[C@H]1CCC[C@@H]1N=c1nc(COC)[n-]s1 ZINC000336728485 386074635 /nfs/dbraw/zinc/07/46/35/386074635.db2.gz HEITURDMHPTVMO-IUCAKERBSA-N 0 1 241.360 2.097 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CS[C@H](C)C1 ZINC000414224281 386075004 /nfs/dbraw/zinc/07/50/04/386075004.db2.gz HKUAUGCRNMCHHP-OUAUKWLOSA-N 0 1 239.388 2.448 20 0 BEADMN COC(=O)CCN[C@@H](C)c1cccc(F)c1F ZINC000234505248 386075054 /nfs/dbraw/zinc/07/50/54/386075054.db2.gz WPBYKFKOFWNFQA-QMMMGPOBSA-N 0 1 243.253 2.179 20 0 BEADMN CC[C@H]1CN(Cc2cccc(C(C)=O)c2)C[C@H]1O ZINC000295751478 386078762 /nfs/dbraw/zinc/07/87/62/386078762.db2.gz ATFGXBMWPBTQOA-DZGCQCFKSA-N 0 1 247.338 2.092 20 0 BEADMN CC/C(C)=C/C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000295756880 386080983 /nfs/dbraw/zinc/08/09/83/386080983.db2.gz OLWIRZKAFNOBTE-IIANPFDCSA-N 0 1 236.359 2.109 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)cs1 ZINC000187035391 386083065 /nfs/dbraw/zinc/08/30/65/386083065.db2.gz NBBPRTWFXKKZLY-UTUOFQBUSA-N 0 1 238.356 2.109 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cs1 ZINC000187035355 386083443 /nfs/dbraw/zinc/08/34/43/386083443.db2.gz NBBPRTWFXKKZLY-IJLUTSLNSA-N 0 1 238.356 2.109 20 0 BEADMN CO[C@H](CNCc1cc(F)ncc1F)C(C)C ZINC000295776303 386085522 /nfs/dbraw/zinc/08/55/22/386085522.db2.gz RFGCADPGKNURLZ-LLVKDONJSA-N 0 1 244.285 2.120 20 0 BEADMN CC(C)n1ncnc1CN1CCC2(CC2)CC1 ZINC000366110800 386086061 /nfs/dbraw/zinc/08/60/61/386086061.db2.gz WKFPCXHMKVVRPT-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN C[C@H](CC(C)(C)C)NCc1nc2ncccn2n1 ZINC000414267105 386087702 /nfs/dbraw/zinc/08/77/02/386087702.db2.gz ITLSVUURJAYGMN-SNVBAGLBSA-N 0 1 247.346 2.039 20 0 BEADMN C[C@@H](NCc1csc(Cl)n1)[C@H]1CCOC1 ZINC000295795113 386088048 /nfs/dbraw/zinc/08/80/48/386088048.db2.gz RXDJGBIOYWEUQN-SFYZADRCSA-N 0 1 246.763 2.311 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1ccc(Cl)o1 ZINC000334448143 386095350 /nfs/dbraw/zinc/09/53/50/386095350.db2.gz IRAAQSBJONHXOV-VIFPVBQESA-N 0 1 228.723 2.069 20 0 BEADMN Cc1noc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000334460678 386123355 /nfs/dbraw/zinc/12/33/55/386123355.db2.gz UXSPYFIMDOOITE-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1=CCCCCC1 ZINC000274739440 386144210 /nfs/dbraw/zinc/14/42/10/386144210.db2.gz IYMFKMSERVIPJW-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN C(=C/c1ccncc1)\CN1C[C@@H]2C[C@H]1CS2 ZINC000335155679 386149908 /nfs/dbraw/zinc/14/99/08/386149908.db2.gz OGWXKFZOZVLKMQ-WFPVSODESA-N 0 1 232.352 2.285 20 0 BEADMN CCc1nocc1CN(C)C[C@@H](OC)C1CC1 ZINC000425481372 386152602 /nfs/dbraw/zinc/15/26/02/386152602.db2.gz PZMHSTVNAXDPOX-CYBMUJFWSA-N 0 1 238.331 2.094 20 0 BEADMN CCC1(NC(=O)c2[nH]nc3c2CCC3)CCCC1 ZINC000296231862 386154248 /nfs/dbraw/zinc/15/42/48/386154248.db2.gz POLSIYKIAOXDDK-UHFFFAOYSA-N 0 1 247.342 2.351 20 0 BEADMN CC1(C)CCC[C@H](C(=O)NCc2cnc[nH]2)C1 ZINC000334476692 386159831 /nfs/dbraw/zinc/15/98/31/386159831.db2.gz PAAVLYZWTUMUEH-JTQLQIEISA-N 0 1 235.331 2.242 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@@H]1C1CCCC1 ZINC000263648815 386162517 /nfs/dbraw/zinc/16/25/17/386162517.db2.gz FHVHBABDANGWRM-GFCCVEGCSA-N 0 1 233.315 2.205 20 0 BEADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000274944909 386163548 /nfs/dbraw/zinc/16/35/48/386163548.db2.gz NVDCILFYVJWFSS-QJPTWQEYSA-N 0 1 247.342 2.195 20 0 BEADMN CCOc1cccc([C@@H](C)NCc2c[nH]nn2)c1 ZINC000296341204 386163885 /nfs/dbraw/zinc/16/38/85/386163885.db2.gz QFBWJTXVEQIDJG-SNVBAGLBSA-N 0 1 246.314 2.054 20 0 BEADMN C[C@@H](Cc1ccccc1F)NC(=O)C(F)(F)F ZINC000263658960 386165253 /nfs/dbraw/zinc/16/52/53/386165253.db2.gz IFCLSSUVBRZLHH-ZETCQYMHSA-N 0 1 249.207 2.435 20 0 BEADMN CC/C=C/CN[C@H](C)c1cc(C)n(C)n1 ZINC000296352850 386165525 /nfs/dbraw/zinc/16/55/25/386165525.db2.gz IIYHCLOPLQBHEE-XUIVZRPNSA-N 0 1 207.321 2.345 20 0 BEADMN CCC[C@H](O)C[N@H+]1CCc2ccsc2C1 ZINC000296375977 386168792 /nfs/dbraw/zinc/16/87/92/386168792.db2.gz SYNWBBAKYKOQMP-NSHDSACASA-N 0 1 225.357 2.267 20 0 BEADMN OC[C@@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437687648 386170582 /nfs/dbraw/zinc/17/05/82/386170582.db2.gz OCFPMUOALSPRGH-NSHDSACASA-N 0 1 248.301 2.264 20 0 BEADMN CCc1ccc(CN(C)C[C@@H]2CCCO2)nc1 ZINC000338913452 386177874 /nfs/dbraw/zinc/17/78/74/386177874.db2.gz IKFWSRBSBVLARP-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN CO[C@]1(C)C[C@@H](N[C@@H]2CCn3ccnc32)C1(C)C ZINC000453130225 386182263 /nfs/dbraw/zinc/18/22/63/386182263.db2.gz YRNCGTFEJRODDZ-JTNHKYCSSA-N 0 1 249.358 2.121 20 0 BEADMN CC/C=C/CN[C@H](c1nccn1C)C1CC1 ZINC000296568583 386184130 /nfs/dbraw/zinc/18/41/30/386184130.db2.gz STUQQVQKRIPOFD-ITKZLYELSA-N 0 1 219.332 2.427 20 0 BEADMN C[C@H](CN1CCNC(=O)[C@@H]1C)C1CCCCC1 ZINC000338956872 386184137 /nfs/dbraw/zinc/18/41/37/386184137.db2.gz WDCIXXSJCJVINS-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H](C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000647879856 386185433 /nfs/dbraw/zinc/18/54/33/386185433.db2.gz NHLWUXNKZUMGOV-KWQFWETISA-N 0 1 240.734 2.255 20 0 BEADMN Cc1ccnc(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000335192922 386126819 /nfs/dbraw/zinc/12/68/19/386126819.db2.gz SOHVYAFTADSPBC-NSHDSACASA-N 0 1 219.332 2.405 20 0 BEADMN CN(CCCC1CCOCC1)Cc1cnccn1 ZINC000274629597 386131221 /nfs/dbraw/zinc/13/12/21/386131221.db2.gz HWIVQGKIUKNWNY-UHFFFAOYSA-N 0 1 249.358 2.115 20 0 BEADMN C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335131617 386131287 /nfs/dbraw/zinc/13/12/87/386131287.db2.gz BSOBBWIOKGGUHO-WDEREUQCSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335131616 386131467 /nfs/dbraw/zinc/13/14/67/386131467.db2.gz BSOBBWIOKGGUHO-QWRGUYRKSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335131614 386131943 /nfs/dbraw/zinc/13/19/43/386131943.db2.gz BSOBBWIOKGGUHO-GHMZBOCLSA-N 0 1 238.375 2.022 20 0 BEADMN CN(Cc1ccc(F)cc1F)CC1(C)COC1 ZINC000345865021 386133929 /nfs/dbraw/zinc/13/39/29/386133929.db2.gz FMTHXQRGMNTWPZ-UHFFFAOYSA-N 0 1 241.281 2.433 20 0 BEADMN COc1ccncc1CN1CCCSCC1 ZINC000287581394 386134725 /nfs/dbraw/zinc/13/47/25/386134725.db2.gz CFGIBYRIMXMKHS-UHFFFAOYSA-N 0 1 238.356 2.029 20 0 BEADMN CN(C(=O)c1cnc[nH]1)C1CCCCCC1 ZINC000334465035 386136577 /nfs/dbraw/zinc/13/65/77/386136577.db2.gz CDCSULPFRNVKEA-UHFFFAOYSA-N 0 1 221.304 2.205 20 0 BEADMN c1ccc(CCCCSCc2nn[nH]n2)cc1 ZINC000274716392 386141764 /nfs/dbraw/zinc/14/17/64/386141764.db2.gz CHMZOGUVIMQBRT-UHFFFAOYSA-N 0 1 248.355 2.456 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOC3)cs1 ZINC000296151990 386142368 /nfs/dbraw/zinc/14/23/68/386142368.db2.gz VZESJGNAPXIION-UHFFFAOYSA-N 0 1 223.341 2.279 20 0 BEADMN C[C@H](CF)NC(=O)c1ccc(O)c(Cl)c1 ZINC000288456679 386203456 /nfs/dbraw/zinc/20/34/56/386203456.db2.gz ZMBPBOOCUXSGGR-ZCFIWIBFSA-N 0 1 231.654 2.133 20 0 BEADMN CC(C)C[C@@H]1CCN([C@H](C)c2nncn2C)C1 ZINC000347073619 386214432 /nfs/dbraw/zinc/21/44/32/386214432.db2.gz KNEPNPBXCGYSKY-NEPJUHHUSA-N 0 1 236.363 2.244 20 0 BEADMN CSC[C@@H](C)NCc1nc(C)cs1 ZINC000125006982 386220367 /nfs/dbraw/zinc/22/03/67/386220367.db2.gz FTFHLXJDTSDDEG-SSDOTTSWSA-N 0 1 216.375 2.293 20 0 BEADMN C[C@@H]1N(CCOC2CCC2)CCOC1(C)C ZINC000347044523 386229327 /nfs/dbraw/zinc/22/93/27/386229327.db2.gz FOEHSFHBQZORRW-NSHDSACASA-N 0 1 227.348 2.055 20 0 BEADMN CC(C)CCCN(C)Cc1cnccn1 ZINC000275706950 386231978 /nfs/dbraw/zinc/23/19/78/386231978.db2.gz LLDQJDSSYLBOIY-UHFFFAOYSA-N 0 1 207.321 2.345 20 0 BEADMN COCc1cc(CNCCC2=CCCC2)no1 ZINC000297339064 386244779 /nfs/dbraw/zinc/24/47/79/386244779.db2.gz DJZUDPKAKCNVNS-UHFFFAOYSA-N 0 1 236.315 2.411 20 0 BEADMN Cc1cc(CN[C@@H](C)Cc2ccncc2)no1 ZINC000347099769 386250551 /nfs/dbraw/zinc/25/05/51/386250551.db2.gz LUULRVUMMKUIQJ-JTQLQIEISA-N 0 1 231.299 2.099 20 0 BEADMN CN(Cc1cncc(Br)c1)C1CC1 ZINC000132742471 386250719 /nfs/dbraw/zinc/25/07/19/386250719.db2.gz BVXJXTYQTCTOOM-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1nc(C)no1 ZINC000336645084 386251510 /nfs/dbraw/zinc/25/15/10/386251510.db2.gz HPRGUHXCDIIKGT-SECBINFHSA-N 0 1 211.309 2.246 20 0 BEADMN Cc1csc(CNC[C@@H]2CCC(C)(C)O2)n1 ZINC000166083736 386252364 /nfs/dbraw/zinc/25/23/64/386252364.db2.gz QRSAQYJAIYJRJL-JTQLQIEISA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCN1C)[C@@H]1CC1(C)C ZINC000416278058 386253432 /nfs/dbraw/zinc/25/34/32/386253432.db2.gz QFCBGSAKOFCHHR-SRVKXCTJSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ncc(C(=O)N(C)CC2CCCCC2)[nH]1 ZINC000264617481 386255360 /nfs/dbraw/zinc/25/53/60/386255360.db2.gz JZZDLPOIFNVHKI-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN Cc1ncc(C(=O)N(C)Cc2cccs2)[nH]1 ZINC000264643040 386257061 /nfs/dbraw/zinc/25/70/61/386257061.db2.gz FIHCMOHCJOUJOU-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN COc1ncncc1CN(C)CC1CCCCC1 ZINC000648000955 386194604 /nfs/dbraw/zinc/19/46/04/386194604.db2.gz MXQZIFRMCWOBCO-UHFFFAOYSA-N 0 1 249.358 2.497 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@H](C)c2ccco2)[nH]1 ZINC000264887432 386282184 /nfs/dbraw/zinc/28/21/84/386282184.db2.gz UTBTXDHAQRIHBR-MRVPVSSYSA-N 0 1 233.271 2.144 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)[C@H]2CCCN2C)c1 ZINC000264969123 386288132 /nfs/dbraw/zinc/28/81/32/386288132.db2.gz DOXVZHOSUKTYOY-CQSZACIVSA-N 0 1 246.354 2.360 20 0 BEADMN CCc1ccc(CN(C)[C@H]2CCCOC2)nc1 ZINC000339188740 386291010 /nfs/dbraw/zinc/29/10/10/386291010.db2.gz LEPHUDNYACZIME-AWEZNQCLSA-N 0 1 234.343 2.255 20 0 BEADMN FC(F)COCCN1CCC[C@H]1c1ccc[nH]1 ZINC000276275213 386296996 /nfs/dbraw/zinc/29/69/96/386296996.db2.gz SPZUVZVBVCKUNC-NSHDSACASA-N 0 1 244.285 2.433 20 0 BEADMN CO[C@@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000289412461 386297926 /nfs/dbraw/zinc/29/79/26/386297926.db2.gz AJXUXXYGVUKCQP-NEPJUHHUSA-N 0 1 247.342 2.156 20 0 BEADMN Cc1noc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000336661065 386299234 /nfs/dbraw/zinc/29/92/34/386299234.db2.gz BPRXIBMODIBVRA-UTLUCORTSA-N 0 1 223.320 2.244 20 0 BEADMN Cc1ccc(CN2CCSCC[C@@H]2C)nn1 ZINC000335266910 386304763 /nfs/dbraw/zinc/30/47/63/386304763.db2.gz ZSXLOLRXYDJRET-NSHDSACASA-N 0 1 237.372 2.112 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)NCCN1CC=CCC1 ZINC000347274039 386313313 /nfs/dbraw/zinc/31/33/13/386313313.db2.gz YNGNOUBCILIQGF-CHWSQXEVSA-N 0 1 238.375 2.047 20 0 BEADMN CC[C@H](c1nc(-c2cccnc2)no1)N(C)C ZINC000276393464 386314978 /nfs/dbraw/zinc/31/49/78/386314978.db2.gz YBSXRZFEWWAFTP-SNVBAGLBSA-N 0 1 232.287 2.144 20 0 BEADMN CCN(C)C(=O)CN(C)Cc1cccc(C)c1C ZINC000298253343 386315233 /nfs/dbraw/zinc/31/52/33/386315233.db2.gz LAOBWNUWIJMOGX-UHFFFAOYSA-N 0 1 248.370 2.214 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000347279079 386315480 /nfs/dbraw/zinc/31/54/80/386315480.db2.gz PYALHUDZXWRWNN-SNVBAGLBSA-N 0 1 213.321 2.058 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1C ZINC000265206077 386315795 /nfs/dbraw/zinc/31/57/95/386315795.db2.gz KGYGZWZAJMDWQY-LDYMZIIASA-N 0 1 235.331 2.335 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CC=CCC2)c1C ZINC000265192937 386316020 /nfs/dbraw/zinc/31/60/20/386316020.db2.gz HXHYFCRRWXAWSF-NSHDSACASA-N 0 1 233.315 2.113 20 0 BEADMN CCN(CCC(F)(F)F)[C@H]1CCOC1 ZINC000336671228 386317325 /nfs/dbraw/zinc/31/73/25/386317325.db2.gz IOOHPOVVGCMPQV-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000265210007 386318642 /nfs/dbraw/zinc/31/86/42/386318642.db2.gz DUOAYXREKISRMN-KWQFWETISA-N 0 1 235.331 2.335 20 0 BEADMN CCCC(C)(C)NC(=O)c1[nH]nc(C)c1C ZINC000265231992 386319574 /nfs/dbraw/zinc/31/95/74/386319574.db2.gz OPBYHHPZFCMVJU-UHFFFAOYSA-N 0 1 223.320 2.335 20 0 BEADMN CCOC(=O)[C@H](CC)N(C[C@@H]1C[C@H]1C)C1CC1 ZINC000488587156 386321412 /nfs/dbraw/zinc/32/14/12/386321412.db2.gz XUCZECYWXQVBSC-MDZLAQPJSA-N 0 1 239.359 2.449 20 0 BEADMN Cc1n[nH]c(C(=O)NCCc2cccs2)c1C ZINC000265238301 386321532 /nfs/dbraw/zinc/32/15/32/386321532.db2.gz PMOBLLHYJQTRHO-UHFFFAOYSA-N 0 1 249.339 2.061 20 0 BEADMN C[C@@H](N[C@@H]1CN(C2CC2)C[C@H]1C)C(C)(F)F ZINC000453281779 386321760 /nfs/dbraw/zinc/32/17/60/386321760.db2.gz HSUDZVBAFVBCRQ-FXPVBKGRSA-N 0 1 232.318 2.102 20 0 BEADMN Cc1n[nH]c(C(=O)NCCCC(C)C)c1C ZINC000265259460 386322015 /nfs/dbraw/zinc/32/20/15/386322015.db2.gz UJEWXZKQUXUASB-UHFFFAOYSA-N 0 1 223.320 2.193 20 0 BEADMN CCN(C)C(=O)CN(C)CCCc1ccccc1 ZINC000339140997 386261881 /nfs/dbraw/zinc/26/18/81/386261881.db2.gz AWSYZONRRHUPOS-UHFFFAOYSA-N 0 1 248.370 2.029 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)[nH]1 ZINC000264694958 386264410 /nfs/dbraw/zinc/26/44/10/386264410.db2.gz AVZRQIQSDCNJGA-BXKDBHETSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2(C)CCCC2)c1C ZINC000265261951 386323928 /nfs/dbraw/zinc/32/39/28/386323928.db2.gz DYVBPDWOSMZDKO-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)[C@H](C)[C@@H](C)O1 ZINC000347182265 386273534 /nfs/dbraw/zinc/27/35/34/386273534.db2.gz KNAQFSSCFMOFTA-IJLUTSLNSA-N 0 1 227.348 2.053 20 0 BEADMN CSCCCN(C)Cc1cncs1 ZINC000336657844 386274442 /nfs/dbraw/zinc/27/44/42/386274442.db2.gz RJLWSQCSZMFCAX-UHFFFAOYSA-N 0 1 216.375 2.328 20 0 BEADMN COCc1cc(CN2CC[C@H](C)[C@@H]2C)no1 ZINC000297763440 386278136 /nfs/dbraw/zinc/27/81/36/386278136.db2.gz LTYPNVJCEVIKSM-UWVGGRQHSA-N 0 1 224.304 2.051 20 0 BEADMN COCc1cc(CN2CC[C@H](C)[C@H]2C)no1 ZINC000297763444 386279766 /nfs/dbraw/zinc/27/97/66/386279766.db2.gz LTYPNVJCEVIKSM-VHSXEESVSA-N 0 1 224.304 2.051 20 0 BEADMN Cc1ccc(CCN2CCOC[C@@H]2C)cc1 ZINC000265468252 386341756 /nfs/dbraw/zinc/34/17/56/386341756.db2.gz CAADTJHFWAWKGQ-ZDUSSCGKSA-N 0 1 219.328 2.258 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2(C)CC2)C[C@@H]1C ZINC000334491267 386344910 /nfs/dbraw/zinc/34/49/10/386344910.db2.gz WJRQVGNKLVQARF-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc2ccc(C)cn12 ZINC000289720324 386346771 /nfs/dbraw/zinc/34/67/71/386346771.db2.gz HFOBMITUNJNPEM-GFCCVEGCSA-N 0 1 247.342 2.109 20 0 BEADMN CCN(C)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000298461084 386349297 /nfs/dbraw/zinc/34/92/97/386349297.db2.gz LYRXESGBTAPPAG-LBPRGKRZSA-N 0 1 234.343 2.158 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc2ccccc2n1C ZINC000289746812 386349869 /nfs/dbraw/zinc/34/98/69/386349869.db2.gz HXPFYRKONYTPFU-GHMZBOCLSA-N 0 1 247.342 2.086 20 0 BEADMN CSC[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000336699935 386386510 /nfs/dbraw/zinc/38/65/10/386386510.db2.gz JUQLFDWBDHTQLR-GFCCVEGCSA-N 0 1 239.388 2.056 20 0 BEADMN CC[C@]1(C)COCCN1CCOC(C)(C)C ZINC000336687971 386351433 /nfs/dbraw/zinc/35/14/33/386351433.db2.gz YAVVMCMLMOPLIM-CYBMUJFWSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@H]1CCCN(Cc2cc(C)n(C)n2)C1 ZINC000336690486 386357022 /nfs/dbraw/zinc/35/70/22/386357022.db2.gz AZMDLUMTBBVIDC-LBPRGKRZSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1occc1CN1CCC(O)(C(F)F)CC1 ZINC000335271431 386358858 /nfs/dbraw/zinc/35/88/58/386358858.db2.gz IKAIHEAKCSACMU-UHFFFAOYSA-N 0 1 245.269 2.180 20 0 BEADMN Cc1cn[nH]c1CNc1ccnn1[C@H](C)C1CC1 ZINC000289818004 386359534 /nfs/dbraw/zinc/35/95/34/386359534.db2.gz JCPKVZHSNGPNGS-SNVBAGLBSA-N 0 1 245.330 2.498 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCCc2ccc(F)cc21 ZINC000263579095 386361525 /nfs/dbraw/zinc/36/15/25/386361525.db2.gz UDGFGSAIQHUOHP-LBPRGKRZSA-N 0 1 237.274 2.220 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)OCO2 ZINC000289870198 386363975 /nfs/dbraw/zinc/36/39/75/386363975.db2.gz LULKMKSCOXCSOC-UHFFFAOYSA-N 0 1 231.255 2.059 20 0 BEADMN Cc1ccc(CN2CCC[C@@](F)(CO)C2)s1 ZINC000289862750 386366037 /nfs/dbraw/zinc/36/60/37/386366037.db2.gz QRKRCZMSXXVHLQ-LBPRGKRZSA-N 0 1 243.347 2.353 20 0 BEADMN CCC1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC000298628496 386366239 /nfs/dbraw/zinc/36/62/39/386366239.db2.gz UNDMGMYYJXNJLL-UHFFFAOYSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1cnn([C@H]2CCN(C/C=C/Cl)C2)c1 ZINC000289883777 386367164 /nfs/dbraw/zinc/36/71/64/386367164.db2.gz MNMGKDJZFODBNT-FWEMWIAWSA-N 0 1 225.723 2.191 20 0 BEADMN CC[C@H](CNCc1cn2cc(C)ccc2n1)OC ZINC000289917214 386370427 /nfs/dbraw/zinc/37/04/27/386370427.db2.gz VBXZEFWWEDGYCC-CYBMUJFWSA-N 0 1 247.342 2.157 20 0 BEADMN CC[C@H](C)c1nc([C@H](C)NCc2cc[nH]c2)n[nH]1 ZINC000276759577 386371967 /nfs/dbraw/zinc/37/19/67/386371967.db2.gz ACEUWAOQUDQLBQ-UWVGGRQHSA-N 0 1 247.346 2.497 20 0 BEADMN COC[C@@H]1CCN(Cc2nc(C)sc2C)C1 ZINC000336695775 386374178 /nfs/dbraw/zinc/37/41/78/386374178.db2.gz GVETUPXHIBUSDH-LLVKDONJSA-N 0 1 240.372 2.228 20 0 BEADMN Cc1ccnc(CN(C(C)C)C2CCOCC2)n1 ZINC000336697964 386382040 /nfs/dbraw/zinc/38/20/40/386382040.db2.gz GCDLNRCCTABTIP-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN CC(C)Cc1noc(CN2C[C@@H](C)C[C@@H]2C)n1 ZINC000336699021 386383623 /nfs/dbraw/zinc/38/36/23/386383623.db2.gz KTJSMLLSDWSPON-QWRGUYRKSA-N 0 1 237.347 2.498 20 0 BEADMN CC1(C)CCCC[C@H]1CC(=O)N1CCNCC1 ZINC000236906886 386326184 /nfs/dbraw/zinc/32/61/84/386326184.db2.gz SSDHZZJMXPMTRA-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN CCc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000263572933 386326275 /nfs/dbraw/zinc/32/62/75/386326275.db2.gz LRNMUFQVVAJFOY-CYBMUJFWSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@](C)(F)C2)n[nH]1 ZINC000334483641 386326503 /nfs/dbraw/zinc/32/65/03/386326503.db2.gz YORJEQSERVNJFH-LBPRGKRZSA-N 0 1 239.294 2.107 20 0 BEADMN CCO[C@@H](C)c1nc([C@H](N)CC(C)C)no1 ZINC000339365520 386385850 /nfs/dbraw/zinc/38/58/50/386385850.db2.gz WJTVMFGRSJIZOW-DTWKUNHWSA-N 0 1 227.308 2.213 20 0 BEADMN CC[C@H](Sc1c[nH]nn1)C(=O)OC(C)(C)C ZINC000276497389 386335428 /nfs/dbraw/zinc/33/54/28/386335428.db2.gz AZHIBHJGMMFALJ-ZETCQYMHSA-N 0 1 243.332 2.017 20 0 BEADMN Cc1csc(CN[C@H](C)c2cc[nH]c(=O)c2)n1 ZINC000339459760 386438589 /nfs/dbraw/zinc/43/85/89/386438589.db2.gz TUCJAWCIEWUCRN-SECBINFHSA-N 0 1 249.339 2.403 20 0 BEADMN Cc1cc(=O)n([C@@H](C)c2ccccc2)[nH]1 ZINC000034502114 386439496 /nfs/dbraw/zinc/43/94/96/386439496.db2.gz DBGAKKRCSSMUTI-JTQLQIEISA-N 0 1 202.257 2.356 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2C[C@H](C)C[C@@H]2CC)n1 ZINC000336718338 386439578 /nfs/dbraw/zinc/43/95/78/386439578.db2.gz VBUBGOPVBTXFJA-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2C[C@H](C)C[C@@H]2CC)n1 ZINC000336718338 386439582 /nfs/dbraw/zinc/43/95/82/386439582.db2.gz VBUBGOPVBTXFJA-PWSUYJOCSA-N 0 1 249.358 2.365 20 0 BEADMN C[C@H](NCc1ccco1)c1cc[nH]c(=O)c1 ZINC000336778042 386447453 /nfs/dbraw/zinc/44/74/53/386447453.db2.gz KGEWHBIEQVKUHA-VIFPVBQESA-N 0 1 218.256 2.231 20 0 BEADMN Cc1cn[nH]c1CN1CCC[C@H](C(F)(F)F)C1 ZINC000290543213 386449359 /nfs/dbraw/zinc/44/93/59/386449359.db2.gz WGMYFEPDWMDBTA-VIFPVBQESA-N 0 1 247.264 2.492 20 0 BEADMN CC[C@@H](NCC(=O)NC(C)(C)C)c1ccncc1 ZINC000347355527 386391314 /nfs/dbraw/zinc/39/13/14/386391314.db2.gz CGIBECJOFPNCHQ-GFCCVEGCSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1c[nH]cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339366593 386395039 /nfs/dbraw/zinc/39/50/39/386395039.db2.gz ZHKFGHLCQSPCEI-SNVBAGLBSA-N 0 1 234.303 2.419 20 0 BEADMN Cc1ccc([C@H](O)CNCc2occc2C)o1 ZINC000266148573 386403685 /nfs/dbraw/zinc/40/36/85/386403685.db2.gz JQYOKHPMXCREDP-LLVKDONJSA-N 0 1 235.283 2.313 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nnc(C2CC2)[nH]1 ZINC000347443097 386405073 /nfs/dbraw/zinc/40/50/73/386405073.db2.gz RFFMLXRBQHUYPY-ONGXEEELSA-N 0 1 234.347 2.303 20 0 BEADMN COC[C@H](NCCc1ccccn1)c1ccco1 ZINC000299012482 386405616 /nfs/dbraw/zinc/40/56/16/386405616.db2.gz QUIYLPZTTQXXMS-ZDUSSCGKSA-N 0 1 246.310 2.194 20 0 BEADMN c1c[nH]c(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000266168163 386405705 /nfs/dbraw/zinc/40/57/05/386405705.db2.gz QDSTTXMWFRVOAU-CHWSQXEVSA-N 0 1 227.311 2.131 20 0 BEADMN c1c[nH]c(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000266168165 386406052 /nfs/dbraw/zinc/40/60/52/386406052.db2.gz QDSTTXMWFRVOAU-OLZOCXBDSA-N 0 1 227.311 2.131 20 0 BEADMN CCOc1nnc(CN[C@@H](C)[C@H](C)CC)s1 ZINC000336776684 386406246 /nfs/dbraw/zinc/40/62/46/386406246.db2.gz GIXVRBNUGGWOAD-BDAKNGLRSA-N 0 1 243.376 2.461 20 0 BEADMN C[C@@H]1[C@H](C)OCC[N@H+]1CC[C@H]1CCCCO1 ZINC000347445493 386406296 /nfs/dbraw/zinc/40/62/96/386406296.db2.gz SZIYNVMNRBYLJT-FRRDWIJNSA-N 0 1 227.348 2.055 20 0 BEADMN CCN(C)C(=O)CN(C)[C@H](C)c1ccccc1C ZINC000299064425 386407039 /nfs/dbraw/zinc/40/70/39/386407039.db2.gz VRZMFXWLDUAAAZ-CYBMUJFWSA-N 0 1 248.370 2.466 20 0 BEADMN c1nc(CN2CCC[C@H](C3CC3)C2)co1 ZINC000290209016 386407123 /nfs/dbraw/zinc/40/71/23/386407123.db2.gz QIHOSYYRHADBQV-NSHDSACASA-N 0 1 206.289 2.297 20 0 BEADMN CC(C)C[C@H](N)c1noc(Cc2ccco2)n1 ZINC000414618334 386412337 /nfs/dbraw/zinc/41/23/37/386412337.db2.gz MIOOAAGGUXIGFZ-JTQLQIEISA-N 0 1 235.287 2.299 20 0 BEADMN CC(C)N(CC(=O)N(C)C)Cc1cccs1 ZINC000299177424 386422887 /nfs/dbraw/zinc/42/28/87/386422887.db2.gz YUCHLBIVSNJYRR-UHFFFAOYSA-N 0 1 240.372 2.047 20 0 BEADMN CC1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CCC1 ZINC000299199879 386426473 /nfs/dbraw/zinc/42/64/73/386426473.db2.gz FXGJSKOOEPLRJY-UHFFFAOYSA-N 0 1 246.270 2.193 20 0 BEADMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)[C@@]1(C)CCCO1 ZINC000453331761 386432877 /nfs/dbraw/zinc/43/28/77/386432877.db2.gz AHVYNDPDYAQTQU-OWTLIXCDSA-N 0 1 249.358 2.436 20 0 BEADMN CN(Cc1ccnn1C)[C@H]1C[C@H]1c1ccccc1 ZINC000347473497 386433850 /nfs/dbraw/zinc/43/38/50/386433850.db2.gz XRWKYTCWKQKJER-GJZGRUSLSA-N 0 1 241.338 2.408 20 0 BEADMN CCSCC[C@@H](C)N(C)C(=O)c1cnc[nH]1 ZINC000266455477 386436520 /nfs/dbraw/zinc/43/65/20/386436520.db2.gz FSDVSTZQBVQUQG-SECBINFHSA-N 0 1 241.360 2.013 20 0 BEADMN CCCCCC(=O)Nc1nc(SC)n[nH]1 ZINC000299575560 386468506 /nfs/dbraw/zinc/46/85/06/386468506.db2.gz UPEAQIOKUOOOLN-UHFFFAOYSA-N 0 1 228.321 2.045 20 0 BEADMN CCCN(CCC1CCC1)CC(=O)OC ZINC000398812488 386470437 /nfs/dbraw/zinc/47/04/37/386470437.db2.gz LGAMGOQLRFHIFX-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@H]1C ZINC000339565328 386476869 /nfs/dbraw/zinc/47/68/69/386476869.db2.gz UYFHOFAZTREERM-KXNHARMFSA-N 0 1 226.364 2.020 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1C ZINC000339565329 386476977 /nfs/dbraw/zinc/47/69/77/386476977.db2.gz UYFHOFAZTREERM-RHYQMDGZSA-N 0 1 226.364 2.020 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000607286153 386479208 /nfs/dbraw/zinc/47/92/08/386479208.db2.gz DXRLFNZSPUSKAE-NSHDSACASA-N 0 1 235.331 2.059 20 0 BEADMN Cc1cc(CN[C@H]2CCC[C@@H](F)C2)no1 ZINC000335426097 386479231 /nfs/dbraw/zinc/47/92/31/386479231.db2.gz YLUJNYWYTOXISN-ZJUUUORDSA-N 0 1 212.268 2.353 20 0 BEADMN COC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000266941553 386482384 /nfs/dbraw/zinc/48/23/84/386482384.db2.gz QAPRYMDWCIVSFV-TZMCWYRMSA-N 0 1 247.338 2.113 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CCC[C@H]2F)cn1 ZINC000339581906 386485449 /nfs/dbraw/zinc/48/54/49/386485449.db2.gz FAQUJPBJZWXCED-VXGBXAGGSA-N 0 1 225.311 2.444 20 0 BEADMN CCc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263579351 386485857 /nfs/dbraw/zinc/48/58/57/386485857.db2.gz UOIHOEOINVYBPG-ZDUSSCGKSA-N 0 1 233.311 2.156 20 0 BEADMN CC(C)n1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000335432171 386489296 /nfs/dbraw/zinc/48/92/96/386489296.db2.gz CGKIKVPPVGUVNT-OCCSQVGLSA-N 0 1 249.358 2.075 20 0 BEADMN Cc1cnc([C@H](C)N2C[C@@H](C)N(C)[C@H](C)C2)o1 ZINC000339629856 386498210 /nfs/dbraw/zinc/49/82/10/386498210.db2.gz USATVSIYJYWNKK-FOGDFJRCSA-N 0 1 237.347 2.068 20 0 BEADMN Cn1cccc1CN1CCOC[C@H]1C1CCC1 ZINC000335441172 386499630 /nfs/dbraw/zinc/49/96/30/386499630.db2.gz HGXGNOAYBSGWFK-AWEZNQCLSA-N 0 1 234.343 2.026 20 0 BEADMN CC(C)[C@H](O)CN1CCOC[C@H]1c1ccccc1 ZINC000336790625 386502363 /nfs/dbraw/zinc/50/23/63/386502363.db2.gz XNCYXWFDXYVBRY-LSDHHAIUSA-N 0 1 249.354 2.077 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1C(=O)[O-] ZINC000335445434 386509996 /nfs/dbraw/zinc/50/99/96/386509996.db2.gz WOLGZXDPHWPDKQ-ONGXEEELSA-N 0 1 239.340 2.291 20 0 BEADMN CCOC[C@H](NCc1coc(C)n1)C(C)C ZINC000647972697 386517264 /nfs/dbraw/zinc/51/72/64/386517264.db2.gz LGAKRFCPBHBXLA-LBPRGKRZSA-N 0 1 226.320 2.134 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000278406842 386523105 /nfs/dbraw/zinc/52/31/05/386523105.db2.gz GPYNAXNVQVLHGQ-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000335454565 386530566 /nfs/dbraw/zinc/53/05/66/386530566.db2.gz SXXYXSVNSPLUQX-NEPJUHHUSA-N 0 1 236.363 2.244 20 0 BEADMN N[C@H](C(=O)NC1CCC1)c1cccc(Cl)c1 ZINC000647973459 386525258 /nfs/dbraw/zinc/52/52/58/386525258.db2.gz DCRFNBFQXSNEAE-NSHDSACASA-N 0 1 238.718 2.009 20 0 BEADMN CCc1ccc(CN2CC[C@@H](n3cccn3)C2)o1 ZINC000291238398 386525456 /nfs/dbraw/zinc/52/54/56/386525456.db2.gz KZQGXWVSKWWGSA-GFCCVEGCSA-N 0 1 245.326 2.486 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1n[nH]cc1C ZINC000290567575 386453742 /nfs/dbraw/zinc/45/37/42/386453742.db2.gz YEFPLNCLOPSETM-SNVBAGLBSA-N 0 1 227.377 2.292 20 0 BEADMN CC(C)C1(NCc2ncnn2C(C)(C)C)CC1 ZINC000339509513 386456542 /nfs/dbraw/zinc/45/65/42/386456542.db2.gz RSMIFMMPFBMXMD-UHFFFAOYSA-N 0 1 236.363 2.311 20 0 BEADMN CCN(CC(=O)NC[C@H]1CCC[C@H]1C)C1CC1 ZINC000339508677 386457030 /nfs/dbraw/zinc/45/70/30/386457030.db2.gz PXEKWTXHLJHKBY-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000266754399 386465739 /nfs/dbraw/zinc/46/57/39/386465739.db2.gz RHQCDAJRQQATFF-UHFFFAOYSA-N 0 1 246.314 2.033 20 0 BEADMN CCC(C)(C)OCCNCc1cc(C)n(C)n1 ZINC000414458236 386583548 /nfs/dbraw/zinc/58/35/48/386583548.db2.gz KKXZFWBSDVBJDI-UHFFFAOYSA-N 0 1 239.363 2.023 20 0 BEADMN CC(C)=CCN[C@H](C)c1nccnc1C ZINC000188454707 386583567 /nfs/dbraw/zinc/58/35/67/386583567.db2.gz YPOZIWQMVFGVQE-SNVBAGLBSA-N 0 1 205.305 2.402 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414459685 386587743 /nfs/dbraw/zinc/58/77/43/386587743.db2.gz IQLLHMDNRPJSEK-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1cn(CC2CC2)nn1 ZINC000450647959 386589681 /nfs/dbraw/zinc/58/96/81/386589681.db2.gz UOOJNMNOUHRZMO-FZMZJTMJSA-N 0 1 248.374 2.451 20 0 BEADMN Cc1nc(C[S@](=O)[C@@H](C)c2ccccc2)n[nH]1 ZINC000291860973 386593975 /nfs/dbraw/zinc/59/39/75/386593975.db2.gz GOHZFGGTSUTVAT-XYZCENFISA-N 0 1 249.339 2.123 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1C(=O)[O-] ZINC000335422702 386595824 /nfs/dbraw/zinc/59/58/24/386595824.db2.gz IBHNXJOTPYWRMU-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN CCN(C)C(=O)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000267351555 386532261 /nfs/dbraw/zinc/53/22/61/386532261.db2.gz NQLLFSNKUWETJT-DOMZBBRYSA-N 0 1 246.354 2.158 20 0 BEADMN CCc1ncc(CN(C)CCCSC)cn1 ZINC000414450560 386533759 /nfs/dbraw/zinc/53/37/59/386533759.db2.gz XXXPPOHNHQOKGE-UHFFFAOYSA-N 0 1 239.388 2.224 20 0 BEADMN C[C@@H]1CCC[C@@H](NCc2csnn2)[C@H]1C ZINC000238856158 386536337 /nfs/dbraw/zinc/53/63/37/386536337.db2.gz VCTUKORKCFBIDB-WCABBAIRSA-N 0 1 225.361 2.452 20 0 BEADMN Cc1nc(F)ccc1CN[C@@H](C)c1cn[nH]c1 ZINC000278555005 386545044 /nfs/dbraw/zinc/54/50/44/386545044.db2.gz VPBCPVXNCRUXQC-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN Cc1cnccc1CCN1CCOC(C)(C)[C@@H]1C ZINC000335462846 386548157 /nfs/dbraw/zinc/54/81/57/386548157.db2.gz OMUVVPPCJVTMTO-ZDUSSCGKSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1cnccc1CCN1CCOC2(CCC2)C1 ZINC000335464935 386551174 /nfs/dbraw/zinc/55/11/74/386551174.db2.gz XUZLXOFSZJERGK-UHFFFAOYSA-N 0 1 246.354 2.187 20 0 BEADMN C[C@H](N[C@@H](C)c1cncc(F)c1)c1cnn(C)c1 ZINC000163918047 386559022 /nfs/dbraw/zinc/55/90/22/386559022.db2.gz WQKXNSCHATZFFV-UWVGGRQHSA-N 0 1 248.305 2.366 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@H](C)[C@@H]1C ZINC000267631639 386564918 /nfs/dbraw/zinc/56/49/18/386564918.db2.gz GZVQHPNPKNXVSB-UWVGGRQHSA-N 0 1 237.299 2.297 20 0 BEADMN Cc1cnc(CC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000335407943 386568611 /nfs/dbraw/zinc/56/86/11/386568611.db2.gz KGJKAVUJTPPYFI-KBPBESRZSA-N 0 1 248.370 2.350 20 0 BEADMN Cc1cnc(CCN2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000335407943 386568616 /nfs/dbraw/zinc/56/86/16/386568616.db2.gz KGJKAVUJTPPYFI-KBPBESRZSA-N 0 1 248.370 2.350 20 0 BEADMN F[C@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000335408978 386571501 /nfs/dbraw/zinc/57/15/01/386571501.db2.gz IPYJMAGZOOVXKU-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1ccoc1CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268122939 386621615 /nfs/dbraw/zinc/62/16/15/386621615.db2.gz MTIWFTDOYHRYHQ-AAEUAGOBSA-N 0 1 234.343 2.160 20 0 BEADMN CO[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337142626 386625875 /nfs/dbraw/zinc/62/58/75/386625875.db2.gz UHARVLIENINXMA-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H]2C(C)C)n1 ZINC000268178917 386628022 /nfs/dbraw/zinc/62/80/22/386628022.db2.gz CESMASDAAVLNLZ-LBPRGKRZSA-N 0 1 249.358 2.365 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CCC[C@H]2C(C)C)n1 ZINC000268178917 386628028 /nfs/dbraw/zinc/62/80/28/386628028.db2.gz CESMASDAAVLNLZ-LBPRGKRZSA-N 0 1 249.358 2.365 20 0 BEADMN COC(=O)CN(C[C@@H](C)CC(C)C)C1CC1 ZINC000337169158 386630126 /nfs/dbraw/zinc/63/01/26/386630126.db2.gz DKESQUPNOCNZMM-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)C[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000268260646 386635385 /nfs/dbraw/zinc/63/53/85/386635385.db2.gz MOBKNDKKHBNCHD-NSHDSACASA-N 0 1 235.331 2.308 20 0 BEADMN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000279144819 386641137 /nfs/dbraw/zinc/64/11/37/386641137.db2.gz ZNYRANFPIPFDOH-SCZZXKLOSA-N 0 1 248.330 2.296 20 0 BEADMN Cc1csc(CNCc2ccc(C)nn2)c1 ZINC000414470129 386643088 /nfs/dbraw/zinc/64/30/88/386643088.db2.gz NVBYAJUKJQCZFE-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN CCC1(C(=O)Nc2ccc3[nH]nnc3c2)CC1 ZINC000268399638 386647769 /nfs/dbraw/zinc/64/77/69/386647769.db2.gz BRAPJIHPQCKWLZ-UHFFFAOYSA-N 0 1 230.271 2.087 20 0 BEADMN Cc1cc(CNC[C@H]2CCCC2(F)F)nn1C ZINC000414471421 386648248 /nfs/dbraw/zinc/64/82/48/386648248.db2.gz QWRSNNQQAPGRNN-SNVBAGLBSA-N 0 1 243.301 2.254 20 0 BEADMN Cc1cccc(NC(=O)NCCN2CCC2)c1C ZINC000426063826 386649544 /nfs/dbraw/zinc/64/95/44/386649544.db2.gz QYNSXSYRNPMCFK-UHFFFAOYSA-N 0 1 247.342 2.131 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CCCC3)C2)n1C ZINC000335512744 386650370 /nfs/dbraw/zinc/65/03/70/386650370.db2.gz UIFFJGNFHCPRRQ-ZDUSSCGKSA-N 0 1 248.374 2.136 20 0 BEADMN CCCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000279237116 386651607 /nfs/dbraw/zinc/65/16/07/386651607.db2.gz PUIRTLGJPBRSEY-UHFFFAOYSA-N 0 1 248.261 2.349 20 0 BEADMN CCN(CCCC(C)(C)C)Cc1cn(C)nn1 ZINC000337202143 386651741 /nfs/dbraw/zinc/65/17/41/386651741.db2.gz GPGITGQYFZIBFS-UHFFFAOYSA-N 0 1 238.379 2.463 20 0 BEADMN CC(C)[C@H]1CN([C@H](C)c2cnccn2)CCCO1 ZINC000339810300 386654534 /nfs/dbraw/zinc/65/45/34/386654534.db2.gz BFSSRGMTTXCGIP-TZMCWYRMSA-N 0 1 249.358 2.285 20 0 BEADMN Cc1cc(CN2CC(C)(C(N)=O)C2)ccc1F ZINC000335424995 386601810 /nfs/dbraw/zinc/60/18/10/386601810.db2.gz WDCLRWZLCYKHEA-UHFFFAOYSA-N 0 1 236.290 2.491 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@H](C)C2)nc1 ZINC000335487042 386603189 /nfs/dbraw/zinc/60/31/89/386603189.db2.gz YLMUXTVTBYWEJG-NWDGAFQWSA-N 0 1 219.332 2.263 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1nccn1C ZINC000187845977 386603610 /nfs/dbraw/zinc/60/36/10/386603610.db2.gz SJQRNSSZJRNYTP-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN NC1(c2noc(C3CCC(=O)CC3)n2)CCCC1 ZINC000520229351 386606930 /nfs/dbraw/zinc/60/69/30/386606930.db2.gz NDWVZLHMJFDXJG-UHFFFAOYSA-N 0 1 249.314 2.024 20 0 BEADMN CCc1csc(N2CCN(CC)C[C@H]2C)n1 ZINC000343246184 386607685 /nfs/dbraw/zinc/60/76/85/386607685.db2.gz DGGUMQRQSMGQLE-SNVBAGLBSA-N 0 1 239.388 2.236 20 0 BEADMN Cc1ccc(CN2CCN(C)CC2)c(Cl)c1 ZINC000336645364 386609598 /nfs/dbraw/zinc/60/95/98/386609598.db2.gz CYTJWQXOJFECGZ-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN Cc1ncc(C(=O)N(C)C2(C)CCCC2)[nH]1 ZINC000335520147 386656492 /nfs/dbraw/zinc/65/64/92/386656492.db2.gz XDSPNRVUTHYNPQ-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)NCC(F)(F)CN ZINC000414926128 386660008 /nfs/dbraw/zinc/66/00/08/386660008.db2.gz JINZYUXZIUMVHP-NXEZZACHSA-N 0 1 222.323 2.385 20 0 BEADMN CN(C(=O)c1cccc2n[nH]cc21)C(C)(C)C ZINC000335521237 386660529 /nfs/dbraw/zinc/66/05/29/386660529.db2.gz LYZVMOHEYGFNOD-UHFFFAOYSA-N 0 1 231.299 2.433 20 0 BEADMN CN(C(=O)c1cnc(C2CC2)[nH]1)C(C)(C)C ZINC000335521228 386660737 /nfs/dbraw/zinc/66/07/37/386660737.db2.gz LVCNHBIEHQTMSR-UHFFFAOYSA-N 0 1 221.304 2.158 20 0 BEADMN CO[C@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425328924 386661217 /nfs/dbraw/zinc/66/12/17/386661217.db2.gz SQYFIRVBMNIZQV-ZDUSSCGKSA-N 0 1 237.347 2.075 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@H](C)CC(C)C ZINC000337226589 386666125 /nfs/dbraw/zinc/66/61/25/386666125.db2.gz FZSXNEMTRMSSSK-GHMZBOCLSA-N 0 1 215.337 2.162 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H](C)CC(C)C ZINC000337226590 386666930 /nfs/dbraw/zinc/66/69/30/386666930.db2.gz FZSXNEMTRMSSSK-MNOVXSKESA-N 0 1 215.337 2.162 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000097850453 386668444 /nfs/dbraw/zinc/66/84/44/386668444.db2.gz BTSUFFABQDLILT-SNVBAGLBSA-N 0 1 237.274 2.041 20 0 BEADMN CC[C@H]1CCN1CC(=O)N[C@@H](C)c1ccccc1 ZINC000292438041 386671279 /nfs/dbraw/zinc/67/12/79/386671279.db2.gz OFRRLCJDNNOZKX-JSGCOSHPSA-N 0 1 246.354 2.348 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(C)C(C)(C)C1 ZINC000520426904 386672916 /nfs/dbraw/zinc/67/29/16/386672916.db2.gz VJQTXFFKLVZBDF-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN c1c(CN2CC([C@@H]3CCOC3)C2)onc1C1CC1 ZINC000639121384 386673864 /nfs/dbraw/zinc/67/38/64/386673864.db2.gz ZPRSJBFZGZBVEP-LLVKDONJSA-N 0 1 248.326 2.020 20 0 BEADMN CC(C)(C)c1nc(CSc2ncc[nH]2)n[nH]1 ZINC000292459826 386675106 /nfs/dbraw/zinc/67/51/06/386675106.db2.gz OXYBECUQQUAPRG-UHFFFAOYSA-N 0 1 237.332 2.118 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000335528469 386675823 /nfs/dbraw/zinc/67/58/23/386675823.db2.gz GKESNPDOTMHTMD-ZIAGYGMSSA-N 0 1 244.338 2.220 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)OC)o1 ZINC000340684402 386676818 /nfs/dbraw/zinc/67/68/18/386676818.db2.gz CCDKIJNCCWAAIL-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN CO[C@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000279407489 386676832 /nfs/dbraw/zinc/67/68/32/386676832.db2.gz VOVPIIFAFINNFX-DGCLKSJQSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H]1C[C@@H](CN(C)Cc2cc[nH]n2)CCO1 ZINC000357001681 386681744 /nfs/dbraw/zinc/68/17/44/386681744.db2.gz XXQUDXUYNHPMKF-AAEUAGOBSA-N 0 1 237.347 2.047 20 0 BEADMN CCN(C)Cc1c(C)nc2sccn12 ZINC000268499512 386656976 /nfs/dbraw/zinc/65/69/76/386656976.db2.gz ROUCDNJGORJMOV-UHFFFAOYSA-N 0 1 209.318 2.156 20 0 BEADMN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)c1ncn(C)n1 ZINC000391960808 386710318 /nfs/dbraw/zinc/71/03/18/386710318.db2.gz ZCEQMHBHMMTABY-GMTAPVOTSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1nc(CSc2ccncc2C)n[nH]1 ZINC000292682872 386711025 /nfs/dbraw/zinc/71/10/25/386711025.db2.gz FLDGETBROWGLAW-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000450761334 386683302 /nfs/dbraw/zinc/68/33/02/386683302.db2.gz RDYJVAWNOVDMGA-SDDRHHMPSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268708419 386684267 /nfs/dbraw/zinc/68/42/67/386684267.db2.gz CLAPTXXUSHMNAS-RXMQYKEDSA-N 0 1 235.209 2.413 20 0 BEADMN CC[C@@H](C(=O)N(C)c1cccc(C)c1)N(C)C ZINC000268744220 386691240 /nfs/dbraw/zinc/69/12/40/386691240.db2.gz RKSNMYCEUWXDMD-ZDUSSCGKSA-N 0 1 234.343 2.298 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2cnc[nH]2)CC12CCC2 ZINC000292585840 386692410 /nfs/dbraw/zinc/69/24/10/386692410.db2.gz YWHAFZLGQYZGHD-LLVKDONJSA-N 0 1 233.315 2.060 20 0 BEADMN CCCc1nc(-c2ccn3cncc3c2)no1 ZINC000279524054 386693704 /nfs/dbraw/zinc/69/37/04/386693704.db2.gz KMIWTENHBQERQM-UHFFFAOYSA-N 0 1 228.255 2.337 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000526931098 386694269 /nfs/dbraw/zinc/69/42/69/386694269.db2.gz ZCHDYNWCTLVHDQ-IUCAKERBSA-N 0 1 245.282 2.293 20 0 BEADMN CCC1CCC(N[C@H](C)c2ncn(C)n2)CC1 ZINC000391915492 386697264 /nfs/dbraw/zinc/69/72/64/386697264.db2.gz CMLSPCOHSQLFAQ-VOMCLLRMSA-N 0 1 236.363 2.435 20 0 BEADMN Cc1nc(CN2C[C@H](C)C[C@@H](C)C2)co1 ZINC000647956826 386698318 /nfs/dbraw/zinc/69/83/18/386698318.db2.gz JGIRLDJYDAWKOV-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN Cc1nnsc1CN1CCC[C@@H](C)C1 ZINC000647956937 386698948 /nfs/dbraw/zinc/69/89/48/386698948.db2.gz UGVYGRKBHFKNFM-MRVPVSSYSA-N 0 1 211.334 2.078 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ncn(C)n1 ZINC000391943081 386701592 /nfs/dbraw/zinc/70/15/92/386701592.db2.gz SOIPCBYOZZWCML-WHOHXGKFSA-N 0 1 236.363 2.290 20 0 BEADMN CCSCCN1CCC(=O)CC12CCC2 ZINC000520604391 386703953 /nfs/dbraw/zinc/70/39/53/386703953.db2.gz RFZROTYYCWVFDS-UHFFFAOYSA-N 0 1 227.373 2.327 20 0 BEADMN CC[C@H](COC)NCc1cn2ccc(C)cc2n1 ZINC000268839310 386705098 /nfs/dbraw/zinc/70/50/98/386705098.db2.gz FBXPAZAVASHFCZ-GFCCVEGCSA-N 0 1 247.342 2.157 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cncnc1OC ZINC000647998919 386732829 /nfs/dbraw/zinc/73/28/29/386732829.db2.gz PKZWXTWMYNZDIQ-GFCCVEGCSA-N 0 1 235.331 2.250 20 0 BEADMN CCC(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268997947 386733718 /nfs/dbraw/zinc/73/37/18/386733718.db2.gz QETVOEIQPODGNE-LLVKDONJSA-N 0 1 235.331 2.340 20 0 BEADMN O=C(CC1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268994740 386733879 /nfs/dbraw/zinc/73/38/79/386733879.db2.gz PMUPBDGUXAEGNZ-GFCCVEGCSA-N 0 1 247.342 2.484 20 0 BEADMN CC(C)Cn1nccc1CN(C)C(C)C ZINC000647998952 386736229 /nfs/dbraw/zinc/73/62/29/386736229.db2.gz RUBWQGMITSNKSE-UHFFFAOYSA-N 0 1 209.337 2.379 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)c2cnccc2N)[C@H]1C ZINC000247942437 386737868 /nfs/dbraw/zinc/73/78/68/386737868.db2.gz GLCDMQJFCMLVBW-NRUUGDAUSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)c2cnccc2N)[C@H]1C ZINC000247942434 386738878 /nfs/dbraw/zinc/73/88/78/386738878.db2.gz GLCDMQJFCMLVBW-GBIKHYSHSA-N 0 1 247.342 2.218 20 0 BEADMN CC=CC=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268937981 386724521 /nfs/dbraw/zinc/72/45/21/386724521.db2.gz GKCIUTUKUNWUMC-DGUGFVOFSA-N 0 1 231.299 2.036 20 0 BEADMN CCc1ccc(CN2CC=CCC2)nc1 ZINC000645112290 386729284 /nfs/dbraw/zinc/72/92/84/386729284.db2.gz JNGWNEPGACYPNZ-UHFFFAOYSA-N 0 1 202.301 2.406 20 0 BEADMN CCOc1cccc([C@@H](C)NCC(C)=O)c1 ZINC000639560047 386729611 /nfs/dbraw/zinc/72/96/11/386729611.db2.gz AEMSYVLVLWXRDZ-LLVKDONJSA-N 0 1 221.300 2.325 20 0 BEADMN CC(C)[C@@H]1CCC[C@H]1NCC(F)(F)CO ZINC000336760963 386748431 /nfs/dbraw/zinc/74/84/31/386748431.db2.gz MQOMLWVQMBSTKI-VHSXEESVSA-N 0 1 221.291 2.028 20 0 BEADMN C[C@H]1C[C@@H](NCc2ccn(C(F)F)n2)CS1 ZINC000414498757 386748854 /nfs/dbraw/zinc/74/88/54/386748854.db2.gz NKQFUGVORLQJBS-IONNQARKSA-N 0 1 247.314 2.262 20 0 BEADMN c1nc(CNCCc2c[nH]c3ccccc23)co1 ZINC000192279706 386749244 /nfs/dbraw/zinc/74/92/44/386749244.db2.gz BRKXIRZCHMFXEU-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN c1csc(CCNCc2cocn2)c1 ZINC000192280445 386749533 /nfs/dbraw/zinc/74/95/33/386749533.db2.gz MSYOLZKPNJZTBW-UHFFFAOYSA-N 0 1 208.286 2.068 20 0 BEADMN Cc1nocc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000334149379 386750241 /nfs/dbraw/zinc/75/02/41/386750241.db2.gz HJCDNAFSPIUPRE-LLVKDONJSA-N 0 1 206.289 2.215 20 0 BEADMN CCN(CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000248264970 386750912 /nfs/dbraw/zinc/75/09/12/386750912.db2.gz SDDPSHCJVRRKNN-AWEZNQCLSA-N 0 1 246.354 2.348 20 0 BEADMN CCCCOCCN1CCOC(C)(C)[C@@H]1C ZINC000357316584 386759480 /nfs/dbraw/zinc/75/94/80/386759480.db2.gz ODAVYZVDEBFARL-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN COc1cc(C)nc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000292996829 386762279 /nfs/dbraw/zinc/76/22/79/386762279.db2.gz MTKIGZPCPIVRKJ-KOLCDFICSA-N 0 1 220.316 2.239 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+]C2(C(C)C)CC2)n1 ZINC000293000052 386762382 /nfs/dbraw/zinc/76/23/82/386762382.db2.gz NAQYMRLBMUPIGI-UHFFFAOYSA-N 0 1 235.331 2.023 20 0 BEADMN OCC[C@@H](NCc1cocn1)C1CCCCC1 ZINC000192338870 386763729 /nfs/dbraw/zinc/76/37/29/386763729.db2.gz WFTYKHGFBDPVTD-CYBMUJFWSA-N 0 1 238.331 2.096 20 0 BEADMN CSc1cc(CNCc2c[nH]nc2C)ccn1 ZINC000357349191 386764792 /nfs/dbraw/zinc/76/47/92/386764792.db2.gz CFUQRQDFPQOGAG-UHFFFAOYSA-N 0 1 248.355 2.125 20 0 BEADMN CCSCC[C@@H](C)NCc1cocn1 ZINC000192320916 386765114 /nfs/dbraw/zinc/76/51/14/386765114.db2.gz XHVQQKBHFREPLV-SECBINFHSA-N 0 1 214.334 2.296 20 0 BEADMN C[C@]1(CNCc2cocn2)CCCS1 ZINC000192325138 386765675 /nfs/dbraw/zinc/76/56/75/386765675.db2.gz FESUUIDKOMSALY-SNVBAGLBSA-N 0 1 212.318 2.050 20 0 BEADMN CC(C)[C@H]1OCCC[C@H]1CNCc1cocn1 ZINC000192323011 386765889 /nfs/dbraw/zinc/76/58/89/386765889.db2.gz HNXMMFQXPVMUEH-WCQYABFASA-N 0 1 238.331 2.215 20 0 BEADMN CC[C@H]1CN(Cc2cnn(C)c2C)CCS1 ZINC000269040835 386741825 /nfs/dbraw/zinc/74/18/25/386741825.db2.gz VGYVSBXJQHNIFL-LBPRGKRZSA-N 0 1 239.388 2.056 20 0 BEADMN CC(C)(C)c1nc(CN2CCC=C(F)C2)n[nH]1 ZINC000293069195 386773450 /nfs/dbraw/zinc/77/34/50/386773450.db2.gz ZLKLPAJSFKHGFI-UHFFFAOYSA-N 0 1 238.310 2.161 20 0 BEADMN Cc1ncsc1CN1CCCO[C@@H](CF)C1 ZINC000334637858 386774750 /nfs/dbraw/zinc/77/47/50/386774750.db2.gz QXQLSABVATZYGE-JTQLQIEISA-N 0 1 244.335 2.012 20 0 BEADMN Cc1ccc(F)c(CN2CCC[N@H+](C)CC2)c1 ZINC000269326891 386779140 /nfs/dbraw/zinc/77/91/40/386779140.db2.gz AEAJEXQXOYRZDA-UHFFFAOYSA-N 0 1 236.334 2.272 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2NCc1cncs1 ZINC000280130253 386781132 /nfs/dbraw/zinc/78/11/32/386781132.db2.gz OXKVZWNDHOVKRE-LLVKDONJSA-N 0 1 248.355 2.044 20 0 BEADMN CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000330611411 386788381 /nfs/dbraw/zinc/78/83/81/386788381.db2.gz OUWPFVVQWAPBQK-QWRGUYRKSA-N 0 1 239.363 2.103 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCn2ccnc21 ZINC000395360828 386823056 /nfs/dbraw/zinc/82/30/56/386823056.db2.gz LUQZAPWTCABAQW-IJLUTSLNSA-N 0 1 219.332 2.352 20 0 BEADMN COC(C)(C)CCN[C@@H](C)c1csnn1 ZINC000398430943 386823480 /nfs/dbraw/zinc/82/34/80/386823480.db2.gz UXPGMGXKSZBWOR-QMMMGPOBSA-N 0 1 229.349 2.004 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H]2CCO)o1 ZINC000330588636 386803525 /nfs/dbraw/zinc/80/35/25/386803525.db2.gz WCVXNENIXCEMIM-TUAOUCFPSA-N 0 1 238.331 2.185 20 0 BEADMN COC(=O)[C@H]1CCCCCN1CCCCF ZINC000367138578 386805798 /nfs/dbraw/zinc/80/57/98/386805798.db2.gz QQVIIXLBSVOABX-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC1CC1 ZINC000357552505 386806588 /nfs/dbraw/zinc/80/65/88/386806588.db2.gz MTHIASQSRGXZKX-AAEUAGOBSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)c1occc1CN1C[C@H](C)C[C@H]1C ZINC000353748428 386815665 /nfs/dbraw/zinc/81/56/65/386815665.db2.gz SBDJSDXSBLVKTR-NXEZZACHSA-N 0 1 237.299 2.297 20 0 BEADMN c1snnc1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000293627597 386853262 /nfs/dbraw/zinc/85/32/62/386853262.db2.gz LCRBVVMZRIJVAF-AAEUAGOBSA-N 0 1 245.351 2.431 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2cccn2C)C1 ZINC000280653245 386830946 /nfs/dbraw/zinc/83/09/46/386830946.db2.gz SFLONRYRVDVXNY-ZDUSSCGKSA-N 0 1 222.332 2.026 20 0 BEADMN CC[C@@H]1CCN(Cc2cnns2)[C@H]1C ZINC001645350799 1172656718 /nfs/dbraw/zinc/65/67/18/1172656718.db2.gz AJEQSUQLBVEHTK-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H](CCCCO)NCc1ncc(Cl)s1 ZINC000398501247 386833481 /nfs/dbraw/zinc/83/34/81/386833481.db2.gz YJQDXFDLMPQCCS-QMMMGPOBSA-N 0 1 248.779 2.437 20 0 BEADMN C[C@]1(F)CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334816051 386835952 /nfs/dbraw/zinc/83/59/52/386835952.db2.gz HLCYMIZJEBNUPX-ZDUSSCGKSA-N 0 1 247.273 2.137 20 0 BEADMN COCc1cccc(C[N@@H+]2CC[C@H]2COC)c1 ZINC000293556384 386836015 /nfs/dbraw/zinc/83/60/15/386836015.db2.gz LTYNYZYVHYIQPK-AWEZNQCLSA-N 0 1 235.327 2.054 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334816043 386835981 /nfs/dbraw/zinc/83/59/81/386835981.db2.gz HLCYMIZJEBNUPX-CYBMUJFWSA-N 0 1 247.273 2.137 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@H](C)c1ccon1 ZINC000425336715 386850273 /nfs/dbraw/zinc/85/02/73/386850273.db2.gz LQILLDQJGGGXKS-FKTZTGRPSA-N 0 1 212.318 2.219 20 0 BEADMN CS[C@@H]1CC[C@H]1N[C@H](C)c1ccon1 ZINC000425336717 386851466 /nfs/dbraw/zinc/85/14/66/386851466.db2.gz LQILLDQJGGGXKS-SZEHBUNVSA-N 0 1 212.318 2.219 20 0 BEADMN C[C@@H]1CN(CC23CCC(CC2)C3)CC[S@]1=O ZINC000334790158 386854219 /nfs/dbraw/zinc/85/42/19/386854219.db2.gz LOOBZACNALJFIJ-NEQJSVFRSA-N 0 1 241.400 2.020 20 0 BEADMN C[C@H]1CC[C@H](C)N1c1nc(N)nc2c1CCCC2 ZINC000645192443 386854798 /nfs/dbraw/zinc/85/47/98/386854798.db2.gz MKINGYAHDIXFGI-UWVGGRQHSA-N 0 1 246.358 2.145 20 0 BEADMN COC(=O)c1cc(CN[C@H]2CC23CC3)oc1C ZINC000425345504 386858321 /nfs/dbraw/zinc/85/83/21/386858321.db2.gz AAUUYUBADUSRCI-NSHDSACASA-N 0 1 235.283 2.017 20 0 BEADMN Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)CC1 ZINC000335741493 386859680 /nfs/dbraw/zinc/85/96/80/386859680.db2.gz OUULKMCAEXPVTN-SNVBAGLBSA-N 0 1 207.321 2.340 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2cnns2)C1 ZINC000334793644 386859985 /nfs/dbraw/zinc/85/99/85/386859985.db2.gz DCGGUAQMNJLMTB-BDAKNGLRSA-N 0 1 211.334 2.159 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2ccn[nH]2)CC12CCC2 ZINC000293718067 386866182 /nfs/dbraw/zinc/86/61/82/386866182.db2.gz JSTURARIWJYSID-LLVKDONJSA-N 0 1 233.315 2.060 20 0 BEADMN CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC000334829242 386866979 /nfs/dbraw/zinc/86/69/79/386866979.db2.gz FVVPBMZTACVQCL-STQMWFEESA-N 0 1 238.375 2.118 20 0 BEADMN CN(CCF)Cc1ccc(-n2cccn2)cc1 ZINC000293719010 386867358 /nfs/dbraw/zinc/86/73/58/386867358.db2.gz SZUHJRICQHEIJQ-UHFFFAOYSA-N 0 1 233.290 2.274 20 0 BEADMN Cc1cnn(C)c1CN1C[C@H](C)S[C@@H](C)C1 ZINC000335745571 386867349 /nfs/dbraw/zinc/86/73/49/386867349.db2.gz XUFDBQZPVYMMOA-QWRGUYRKSA-N 0 1 239.388 2.054 20 0 BEADMN NC1(c2noc([C@H]3CC=CCC3)n2)CCC1 ZINC000334835900 386875715 /nfs/dbraw/zinc/87/57/15/386875715.db2.gz CCCLIHFJFUHHEJ-VIFPVBQESA-N 0 1 219.288 2.231 20 0 BEADMN Cc1nc([C@H](C)[S@](=O)C2CCCCC2)n[nH]1 ZINC000334836294 386878379 /nfs/dbraw/zinc/87/83/79/386878379.db2.gz LYGRSXBNVOPOHH-PWJLMRLQSA-N 0 1 241.360 2.256 20 0 BEADMN CCOC[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000358013271 386878467 /nfs/dbraw/zinc/87/84/67/386878467.db2.gz ADUTYIGSSPCKNC-JOYOIKCWSA-N 0 1 239.290 2.274 20 0 BEADMN C[C@@H]1CCC[C@@H]1Cc1nc(C2(N)CCC2)no1 ZINC000334836619 386878767 /nfs/dbraw/zinc/87/87/67/386878767.db2.gz GZLLJBYIYOBIPM-NXEZZACHSA-N 0 1 235.331 2.386 20 0 BEADMN C[C@H](CO)N(C)c1ccnc2cc(F)ccc21 ZINC000301866453 386886511 /nfs/dbraw/zinc/88/65/11/386886511.db2.gz DNDXCEYTJCEJKU-SECBINFHSA-N 0 1 234.274 2.191 20 0 BEADMN CC(C)c1ncc(CN2C[C@@H](O)C[C@@H]2C)s1 ZINC000334841018 386886735 /nfs/dbraw/zinc/88/67/35/386886735.db2.gz XXCYYSFDSMTCLF-UWVGGRQHSA-N 0 1 240.372 2.222 20 0 BEADMN Cc1cn[nH]c1CN1CCNc2ccccc21 ZINC000334842534 386887886 /nfs/dbraw/zinc/88/78/86/386887886.db2.gz MAUBVZDHQYPIEA-UHFFFAOYSA-N 0 1 228.299 2.150 20 0 BEADMN C[C@H]1[C@H](c2nc(C3(N)CCCC3)no2)C1(F)F ZINC000334842312 386889488 /nfs/dbraw/zinc/88/94/88/386889488.db2.gz LCOJEDAOTSGHFB-NKWVEPMBSA-N 0 1 243.257 2.166 20 0 BEADMN CC[C@@H]1CCCCCN1Cc1nnc(C)[nH]1 ZINC000335768900 386913668 /nfs/dbraw/zinc/91/36/68/386913668.db2.gz MGNWJIHUVLYUIX-LLVKDONJSA-N 0 1 222.336 2.268 20 0 BEADMN NC1(c2noc(C3=CCCC3)n2)CCCC1 ZINC000334864481 386919270 /nfs/dbraw/zinc/91/92/70/386919270.db2.gz PQTHPNKPRBUJAC-UHFFFAOYSA-N 0 1 219.288 2.365 20 0 BEADMN Cc1ccc(CNc2ccncc2C(N)=O)cc1 ZINC000302014495 386897230 /nfs/dbraw/zinc/89/72/30/386897230.db2.gz DXKXTOXVXAPSPE-UHFFFAOYSA-N 0 1 241.294 2.101 20 0 BEADMN C[C@@H]1CC=CC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000334851363 386900322 /nfs/dbraw/zinc/90/03/22/386900322.db2.gz AXVCEKWXBREKOY-NXEZZACHSA-N 0 1 233.315 2.477 20 0 BEADMN Cc1cnc(N2CCN3CCCC[C@@H]3C2)s1 ZINC000302113172 386903634 /nfs/dbraw/zinc/90/36/34/386903634.db2.gz QIJLLWMVQFXTNZ-LLVKDONJSA-N 0 1 237.372 2.126 20 0 BEADMN NC1(c2noc([C@@H]3CCCSC3)n2)CCC1 ZINC000334853608 386904314 /nfs/dbraw/zinc/90/43/14/386904314.db2.gz LWDRRBBNBOZCAG-MRVPVSSYSA-N 0 1 239.344 2.018 20 0 BEADMN NC1(c2noc(C3(F)CCCC3)n2)CCC1 ZINC000334854271 386905124 /nfs/dbraw/zinc/90/51/24/386905124.db2.gz RMQLPMVPCDECQW-UHFFFAOYSA-N 0 1 225.267 2.146 20 0 BEADMN CCc1ccc(NC(=O)N2CCNC[C@H]2C)cc1 ZINC000334855871 386907393 /nfs/dbraw/zinc/90/73/93/386907393.db2.gz XUKXCLZSCBEJRD-LLVKDONJSA-N 0 1 247.342 2.075 20 0 BEADMN CCN(CC1CCC1)C(=O)CN(CC)C1CC1 ZINC000358182425 386908634 /nfs/dbraw/zinc/90/86/34/386908634.db2.gz LQUZBXLYQMQENQ-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CO[C@H](C)CCNc1ccnc(C)c1Cl ZINC000336762308 386913094 /nfs/dbraw/zinc/91/30/94/386913094.db2.gz NQXSEOJNCGRTOE-MRVPVSSYSA-N 0 1 228.723 2.302 20 0 BEADMN CC1(F)CC(NC(=O)c2n[nH]c3ccccc32)C1 ZINC000334869402 386927651 /nfs/dbraw/zinc/92/76/51/386927651.db2.gz XBRLNUFHIPXKFY-UHFFFAOYSA-N 0 1 247.273 2.183 20 0 BEADMN Cc1occc1C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000334868883 386928586 /nfs/dbraw/zinc/92/85/86/386928586.db2.gz STPTTZQAYUOLEG-WDEREUQCSA-N 0 1 222.332 2.112 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C)nn1 ZINC000334869349 386928621 /nfs/dbraw/zinc/92/86/21/386928621.db2.gz VWOSODUHZPSCNF-GWCFXTLKSA-N 0 1 219.332 2.405 20 0 BEADMN CC[N@@H+](C)CCNc1nccc(C)c1Cl ZINC000336762578 386930001 /nfs/dbraw/zinc/93/00/01/386930001.db2.gz NXRDQTNDIWMSOE-UHFFFAOYSA-N 0 1 227.739 2.407 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(Cc1cn(C)nn1)C1CC1 ZINC000341622210 386938151 /nfs/dbraw/zinc/93/81/51/386938151.db2.gz RSRUEHOBZMIZFC-GHMZBOCLSA-N 0 1 236.363 2.214 20 0 BEADMN CCCCCN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352895807 386939002 /nfs/dbraw/zinc/93/90/02/386939002.db2.gz YHZQIBGPOIEZLU-YWPYICTPSA-N 0 1 231.405 2.408 20 0 BEADMN C[C@H](N[C@H](CO)CC(F)(F)F)c1cccnc1 ZINC000358360343 386942093 /nfs/dbraw/zinc/94/20/93/386942093.db2.gz ABDOFZUFHYCZBD-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN CC(C)CC1(C(=O)NCc2cnc[nH]2)CCC1 ZINC000332021281 386942478 /nfs/dbraw/zinc/94/24/78/386942478.db2.gz MCSSVCVTKZAWLB-UHFFFAOYSA-N 0 1 235.331 2.242 20 0 BEADMN CC[C@@H](C)CN(CC)Cc1cncnc1OC ZINC000648012929 386942997 /nfs/dbraw/zinc/94/29/97/386942997.db2.gz ZHAIOABDTHNPNN-LLVKDONJSA-N 0 1 237.347 2.353 20 0 BEADMN Cn1cncc1CNC1(c2ccccc2)CC1 ZINC000341633745 386944289 /nfs/dbraw/zinc/94/42/89/386944289.db2.gz CRORUZYAGBDSMV-UHFFFAOYSA-N 0 1 227.311 2.199 20 0 BEADMN CC/C=C/CNCc1cc(OC)cc(C)n1 ZINC000395148273 386946185 /nfs/dbraw/zinc/94/61/85/386946185.db2.gz KITMRXQXMBZZRO-AATRIKPKSA-N 0 1 220.316 2.454 20 0 BEADMN COC[C@H]1CCCCN(Cc2ncc(C)o2)C1 ZINC000368755264 387007425 /nfs/dbraw/zinc/00/74/25/387007425.db2.gz BJPYYQUMEOUUTD-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H]2C2CC2)n[nH]1 ZINC000334889251 386962621 /nfs/dbraw/zinc/96/26/21/386962621.db2.gz RFSMTISWWAMFDX-LBPRGKRZSA-N 0 1 233.315 2.158 20 0 BEADMN COc1ccnc(CNC[C@@H](C)CC(C)C)n1 ZINC000425355802 386966144 /nfs/dbraw/zinc/96/61/44/386966144.db2.gz PJZKEVLIPOTORW-NSHDSACASA-N 0 1 237.347 2.257 20 0 BEADMN CN(C(=O)c1cnc(C2CC2)[nH]1)[C@H]1CC1(C)C ZINC000334903113 386976430 /nfs/dbraw/zinc/97/64/30/386976430.db2.gz IKXFGBPYWBKEFD-JTQLQIEISA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CCOC1 ZINC000368585410 386988328 /nfs/dbraw/zinc/98/83/28/386988328.db2.gz QSVSRHWPCDDUFE-GMOODISLSA-N 0 1 237.274 2.026 20 0 BEADMN C[C@@H](O)CCCSc1nc(C(C)(C)C)n[nH]1 ZINC000331207520 386989410 /nfs/dbraw/zinc/98/94/10/386989410.db2.gz PKCCJTMYKVGJOJ-MRVPVSSYSA-N 0 1 243.376 2.355 20 0 BEADMN C[C@@H](O)CCCSc1n[nH]c(C(C)(C)C)n1 ZINC000331207520 386989415 /nfs/dbraw/zinc/98/94/15/386989415.db2.gz PKCCJTMYKVGJOJ-MRVPVSSYSA-N 0 1 243.376 2.355 20 0 BEADMN CCN(CCC(C)(C)C)Cc1cn(C)nn1 ZINC000341909540 386991150 /nfs/dbraw/zinc/99/11/50/386991150.db2.gz PCGVWLHPUJEMCZ-UHFFFAOYSA-N 0 1 224.352 2.073 20 0 BEADMN Cc1cc(C)c(C(=O)NCCN2CCC2)c(C)c1 ZINC000341915777 386992671 /nfs/dbraw/zinc/99/26/71/386992671.db2.gz NTMBPVOLIHBYDI-UHFFFAOYSA-N 0 1 246.354 2.047 20 0 BEADMN Fc1ccc2c(c1F)CN(Cc1cnc[nH]1)CC2 ZINC000334915997 386992614 /nfs/dbraw/zinc/99/26/14/386992614.db2.gz BGYWBVWHYUNIFH-UHFFFAOYSA-N 0 1 249.264 2.246 20 0 BEADMN CC1=CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000334919373 386995076 /nfs/dbraw/zinc/99/50/76/386995076.db2.gz GUIJBTWIXADCRV-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN COC[C@@H]1CCCCN(Cc2cscn2)C1 ZINC000368661456 386999418 /nfs/dbraw/zinc/99/94/18/386999418.db2.gz WCOFWNPAMDDJEE-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN CCc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000104190718 387001154 /nfs/dbraw/zinc/00/11/54/387001154.db2.gz LHUIVCMLFKSXRY-BXUZGUMPSA-N 0 1 247.338 2.402 20 0 BEADMN CC(C)C[C@@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358712629 387001344 /nfs/dbraw/zinc/00/13/44/387001344.db2.gz IVRMYBOYCSMQIB-UPJWGTAASA-N 0 1 240.391 2.220 20 0 BEADMN Cc1cnc(C(=O)Nc2cccc(C)n2)c(O)c1 ZINC000358723885 387002807 /nfs/dbraw/zinc/00/28/07/387002807.db2.gz VSOWLGIVBSXPMX-UHFFFAOYSA-N 0 1 243.266 2.051 20 0 BEADMN Cc1cc(CN2CC(C(C)(C)C)C2)n(C)n1 ZINC000334928057 387003587 /nfs/dbraw/zinc/00/35/87/387003587.db2.gz ZXYOGQDXOCZZIE-UHFFFAOYSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1noc(C[N@@H+]2CCCC[C@H](C)C2)n1 ZINC000334979914 387066462 /nfs/dbraw/zinc/06/64/62/387066462.db2.gz XDJGEBQWCDMSRW-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN Cc1noc(CN2CCCC[C@H](C)C2)n1 ZINC000334979914 387066466 /nfs/dbraw/zinc/06/64/66/387066466.db2.gz XDJGEBQWCDMSRW-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN C[C@@]1(O)C[C@H](NCc2ccsc2Cl)C1 ZINC000334956686 387035232 /nfs/dbraw/zinc/03/52/32/387035232.db2.gz ZSFUUGFEYWMWLI-WAAGHKOSSA-N 0 1 231.748 2.405 20 0 BEADMN CC(C)n1cncc1CN1CCC[C@@]12CCOC2 ZINC000425385677 387036019 /nfs/dbraw/zinc/03/60/19/387036019.db2.gz RVKVGLZHNJDRNT-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CCN(Cc1cncn1C(C)C)[C@H]1CCOC1 ZINC000425386564 387036885 /nfs/dbraw/zinc/03/68/85/387036885.db2.gz UDFMAPILTZQEBA-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN Cc1cc(C)cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 ZINC000070076526 387043452 /nfs/dbraw/zinc/04/34/52/387043452.db2.gz NASSCIIJZZBCQP-STQMWFEESA-N 0 1 246.354 2.126 20 0 BEADMN CC(C)c1cc(CN[C@H]2C[C@@H](C)O[C@@H]2C)on1 ZINC000648452076 387046040 /nfs/dbraw/zinc/04/60/40/387046040.db2.gz FBULLWJTMBHHGC-BREBYQMCSA-N 0 1 238.331 2.454 20 0 BEADMN CCC[C@H](C(=O)OCC)N(C)CC1CCC1 ZINC000096867347 387054696 /nfs/dbraw/zinc/05/46/96/387054696.db2.gz GJQRHYNJOWMKPY-GFCCVEGCSA-N 0 1 227.348 2.450 20 0 BEADMN CN(C)c1ccccc1CN1CC[C@@H](F)C1 ZINC000336222736 387062539 /nfs/dbraw/zinc/06/25/39/387062539.db2.gz GOCVMPQKZGOSPE-GFCCVEGCSA-N 0 1 222.307 2.296 20 0 BEADMN CCC1(C)CN(C(=O)c2cnccc2N(C)C)C1 ZINC000336029904 387010867 /nfs/dbraw/zinc/01/08/67/387010867.db2.gz XWDGLJWDFYGFBC-UHFFFAOYSA-N 0 1 247.342 2.020 20 0 BEADMN COc1ncncc1CN(C)C[C@@H]1CC=CCC1 ZINC000648022362 387016964 /nfs/dbraw/zinc/01/69/64/387016964.db2.gz IEYRDCDNQXOENS-GFCCVEGCSA-N 0 1 247.342 2.273 20 0 BEADMN COc1ncncc1CN(C)C[C@H]1CC=CCC1 ZINC000648022363 387017278 /nfs/dbraw/zinc/01/72/78/387017278.db2.gz IEYRDCDNQXOENS-LBPRGKRZSA-N 0 1 247.342 2.273 20 0 BEADMN CC(C)CCOCCN1CCO[C@H](C2CC2)C1 ZINC000368886133 387017693 /nfs/dbraw/zinc/01/76/93/387017693.db2.gz ACVFAIIUIUYGAC-AWEZNQCLSA-N 0 1 241.375 2.160 20 0 BEADMN CCC[C@@](C)(N)c1nc(Cc2cccnc2)no1 ZINC000053133433 387018113 /nfs/dbraw/zinc/01/81/13/387018113.db2.gz YDBCJVQVTGLDIP-CYBMUJFWSA-N 0 1 246.314 2.029 20 0 BEADMN C[C@@H](CO)[C@@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000358832759 387021050 /nfs/dbraw/zinc/02/10/50/387021050.db2.gz WOPVWENDSHXTBE-VHSXEESVSA-N 0 1 240.347 2.079 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CCC[C@]1(C)CO ZINC000527324182 387022339 /nfs/dbraw/zinc/02/23/39/387022339.db2.gz QXONBVHXAXERQK-CQSZACIVSA-N 0 1 237.318 2.481 20 0 BEADMN C(N[C@H]1CCC12CCC2)c1nnc(C2CC2)[nH]1 ZINC000333262630 387024297 /nfs/dbraw/zinc/02/42/97/387024297.db2.gz UUIAJPPRDMOWPL-JTQLQIEISA-N 0 1 232.331 2.104 20 0 BEADMN C[C@H](N[C@@H]1CCOC1(C)C)c1cc2n(n1)CCC2 ZINC000334882445 387026076 /nfs/dbraw/zinc/02/60/76/387026076.db2.gz KEUQQKUDQKLVKA-GXFFZTMASA-N 0 1 249.358 2.047 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)CCC(C)C ZINC000359230109 387069330 /nfs/dbraw/zinc/06/93/30/387069330.db2.gz PIXBBYCGQJSSJT-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@H](C)C(C)C ZINC000359230660 387071588 /nfs/dbraw/zinc/07/15/88/387071588.db2.gz YAIAWSRIVYTTBH-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN COCc1cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)no1 ZINC000418120364 387072393 /nfs/dbraw/zinc/07/23/93/387072393.db2.gz HMFXZDHVHFLAFB-AXFHLTTASA-N 0 1 238.331 2.297 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@H]1C[C@@]1(C)CC ZINC000359241001 387072413 /nfs/dbraw/zinc/07/24/13/387072413.db2.gz ZJFUDKZQDVJOIV-YRGRVCCFSA-N 0 1 238.375 2.023 20 0 BEADMN COCc1cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)no1 ZINC000418120366 387072467 /nfs/dbraw/zinc/07/24/67/387072467.db2.gz HMFXZDHVHFLAFB-DCAQKATOSA-N 0 1 238.331 2.297 20 0 BEADMN CCC[C@@H](C)C(=O)N1CCNC[C@@H]1CCC ZINC000359244753 387073002 /nfs/dbraw/zinc/07/30/02/387073002.db2.gz ROFBYFDLQDCJOT-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCc1noc(C)c1CN[C@H]1COC(C)(C)C1 ZINC000418066318 387083345 /nfs/dbraw/zinc/08/33/45/387083345.db2.gz NMRIGQXKUBKCRZ-SNVBAGLBSA-N 0 1 238.331 2.203 20 0 BEADMN CN(Cc1ccoc1)C(=O)c1ccc(F)cc1O ZINC000228308806 387088030 /nfs/dbraw/zinc/08/80/30/387088030.db2.gz WDRUPHNAQRTZLF-UHFFFAOYSA-N 0 1 249.241 2.397 20 0 BEADMN CS[C@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC000336260071 387095203 /nfs/dbraw/zinc/09/52/03/387095203.db2.gz SFJIUDIWEMTQGZ-ZJUUUORDSA-N 0 1 226.345 2.481 20 0 BEADMN CS[C@@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000336260070 387095272 /nfs/dbraw/zinc/09/52/72/387095272.db2.gz SFJIUDIWEMTQGZ-VHSXEESVSA-N 0 1 226.345 2.481 20 0 BEADMN CS[C@@H]1CCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000336261699 387095293 /nfs/dbraw/zinc/09/52/93/387095293.db2.gz KSHVCEFHUMXGHP-WDEREUQCSA-N 0 1 237.372 2.283 20 0 BEADMN Cc1n[nH]cc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000335002965 387096114 /nfs/dbraw/zinc/09/61/14/387096114.db2.gz CQCRTSOGOYOIBE-CABZTGNLSA-N 0 1 207.321 2.339 20 0 BEADMN CCCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000067652972 387097963 /nfs/dbraw/zinc/09/79/63/387097963.db2.gz MKPNKKBKAODNHB-LBPRGKRZSA-N 0 1 226.364 2.119 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)c1ccccc1C ZINC000336265501 387098845 /nfs/dbraw/zinc/09/88/45/387098845.db2.gz MYVCQUGOOZEMPH-CYBMUJFWSA-N 0 1 246.354 2.209 20 0 BEADMN CC(C)c1nc(CN2CCC[C@@](C)(F)C2)n[nH]1 ZINC000336266968 387102440 /nfs/dbraw/zinc/10/24/40/387102440.db2.gz RQRLTOWDYWJLKF-GFCCVEGCSA-N 0 1 240.326 2.252 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@H](O)[C@H](C)C2)c1 ZINC000336272873 387106084 /nfs/dbraw/zinc/10/60/84/387106084.db2.gz HFIVDISDMNKRAZ-ABAIWWIYSA-N 0 1 247.338 2.092 20 0 BEADMN O=C(C=C1CCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000370355342 387111052 /nfs/dbraw/zinc/11/10/52/387111052.db2.gz NFJHNRGMKKUQEP-UHFFFAOYSA-N 0 1 245.326 2.226 20 0 BEADMN C[C@H]1CCCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000335026041 387118630 /nfs/dbraw/zinc/11/86/30/387118630.db2.gz YIPXDDKTPYGOBC-JSGCOSHPSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc(C)c(F)c1 ZINC000070160746 387118793 /nfs/dbraw/zinc/11/87/93/387118793.db2.gz KAQJBXBFTJMMDK-UHFFFAOYSA-N 0 1 233.290 2.455 20 0 BEADMN Cc1ccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)[O-])C2)cc1 ZINC000336286658 387120783 /nfs/dbraw/zinc/12/07/83/387120783.db2.gz WFLDOSLZHWPVSY-IUODEOHRSA-N 0 1 247.338 2.432 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2CCCO2)c(C)n1 ZINC000186684840 387122339 /nfs/dbraw/zinc/12/23/39/387122339.db2.gz WKXIKSNYWPCOMY-AWEZNQCLSA-N 0 1 234.343 2.309 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)c1coc(CN)c1 ZINC000335029105 387123370 /nfs/dbraw/zinc/12/33/70/387123370.db2.gz MWWBRPAQROFCBW-ONGXEEELSA-N 0 1 236.315 2.141 20 0 BEADMN Cc1nccc(N(C)CC2(O)CCC2)c1Cl ZINC000336360440 387192396 /nfs/dbraw/zinc/19/23/96/387192396.db2.gz RWLNUJYTDNTRSM-UHFFFAOYSA-N 0 1 240.734 2.395 20 0 BEADMN Cc1nnc(C[N@@H+]2CCCC[C@H](C)C2)s1 ZINC000336318821 387143667 /nfs/dbraw/zinc/14/36/67/387143667.db2.gz ROCFFPDUONFFMJ-VIFPVBQESA-N 0 1 225.361 2.469 20 0 BEADMN Cc1nnc(CN2CCCC[C@H](C)C2)s1 ZINC000336318821 387143670 /nfs/dbraw/zinc/14/36/70/387143670.db2.gz ROCFFPDUONFFMJ-VIFPVBQESA-N 0 1 225.361 2.469 20 0 BEADMN CC[C@H](CO)N(C)Cc1cnc(C2CC2)s1 ZINC000648631553 387145886 /nfs/dbraw/zinc/14/58/86/387145886.db2.gz BBBAYSURQWGXHH-SNVBAGLBSA-N 0 1 240.372 2.223 20 0 BEADMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000571699830 387149133 /nfs/dbraw/zinc/14/91/33/387149133.db2.gz LEHJFKGPAAKXAC-LOWVWBTDSA-N 0 1 249.358 2.283 20 0 BEADMN Cc1nocc1CN1CCC[C@@H](n2cccn2)C1 ZINC000336325440 387155063 /nfs/dbraw/zinc/15/50/63/387155063.db2.gz HWXICWPZERSBSH-CYBMUJFWSA-N 0 1 246.314 2.017 20 0 BEADMN C[C@@H](NCCC1(O)CCC1)c1nccs1 ZINC000284193706 387159734 /nfs/dbraw/zinc/15/97/34/387159734.db2.gz BGUCLGZDOLAUEO-SECBINFHSA-N 0 1 226.345 2.099 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1ncccn1 ZINC000571778188 387169668 /nfs/dbraw/zinc/16/96/68/387169668.db2.gz HCPLSNLOAGMDJL-SNVBAGLBSA-N 0 1 207.321 2.391 20 0 BEADMN C[C@H](NCCC1(O)CCC1)c1cscn1 ZINC000284256615 387170390 /nfs/dbraw/zinc/17/03/90/387170390.db2.gz GALMYBPKDLCUMG-VIFPVBQESA-N 0 1 226.345 2.099 20 0 BEADMN CC[C@H]1CCCC[C@H]1N(C)Cc1ncnn1C ZINC000120750922 387193470 /nfs/dbraw/zinc/19/34/70/387193470.db2.gz XCFCNFINIRSBDM-NWDGAFQWSA-N 0 1 236.363 2.216 20 0 BEADMN CC[C@@H](CSC)N(C)Cc1snnc1C ZINC000571807586 387173065 /nfs/dbraw/zinc/17/30/65/387173065.db2.gz YNYNSOBSTUGXPW-VIFPVBQESA-N 0 1 245.417 2.420 20 0 BEADMN COCCCCN(C)Cc1ncc(C)s1 ZINC000418154015 387175284 /nfs/dbraw/zinc/17/52/84/387175284.db2.gz ZLSKNHGEJIGCSA-UHFFFAOYSA-N 0 1 228.361 2.310 20 0 BEADMN C[C@H](NCCF)c1ccc(Br)nc1 ZINC000290030291 387175937 /nfs/dbraw/zinc/17/59/37/387175937.db2.gz AWQWNKLGZKIURJ-ZETCQYMHSA-N 0 1 247.111 2.464 20 0 BEADMN CCc1nnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000193227776 387181946 /nfs/dbraw/zinc/18/19/46/387181946.db2.gz KRACZDNLXZUUEP-UWVGGRQHSA-N 0 1 223.320 2.300 20 0 BEADMN CO[C@H](CNc1cc(C)ccn1)C1CC1 ZINC000292835536 387193989 /nfs/dbraw/zinc/19/39/89/387193989.db2.gz QCVCGOCBZFEFDV-LLVKDONJSA-N 0 1 206.289 2.227 20 0 BEADMN c1ccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247373599 387133378 /nfs/dbraw/zinc/13/33/78/387133378.db2.gz PIWZWOBRGFXGBQ-HUUCEWRRSA-N 0 1 247.338 2.066 20 0 BEADMN CCCCCC[C@H](O)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000370674190 387134343 /nfs/dbraw/zinc/13/43/43/387134343.db2.gz SUDHKUQIWRJQFF-MELADBBJSA-N 0 1 241.375 2.181 20 0 BEADMN COCC1(C)CN(Cc2occc2C)C1 ZINC000459626144 387136120 /nfs/dbraw/zinc/13/61/20/387136120.db2.gz ZABPDFBEPMKZBD-UHFFFAOYSA-N 0 1 209.289 2.056 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)nc1 ZINC000336311255 387140275 /nfs/dbraw/zinc/14/02/75/387140275.db2.gz FPCLQROFVXADSK-HDJSIYSDSA-N 0 1 234.343 2.125 20 0 BEADMN CCCc1csc(CN[C@H]2C[C@@](C)(O)C2)n1 ZINC000418112429 387202218 /nfs/dbraw/zinc/20/22/18/387202218.db2.gz YVMOORGKFDKHMZ-KLPPZKSPSA-N 0 1 240.372 2.099 20 0 BEADMN CCN(CCOC)Cc1nc2ccccc2o1 ZINC000353441475 387202786 /nfs/dbraw/zinc/20/27/86/387202786.db2.gz MUIYZONLUQEBTA-UHFFFAOYSA-N 0 1 234.299 2.296 20 0 BEADMN CC(C)n1cc(CN[C@@H](C)c2cn[nH]c2)cn1 ZINC000229884936 387203410 /nfs/dbraw/zinc/20/34/10/387203410.db2.gz WWSKGMINNUEMLQ-JTQLQIEISA-N 0 1 233.319 2.038 20 0 BEADMN COCC1=CCN(Cc2ccco2)CC1 ZINC000187617240 387210470 /nfs/dbraw/zinc/21/04/70/387210470.db2.gz KUWQMLKQDRABRU-UHFFFAOYSA-N 0 1 207.273 2.058 20 0 BEADMN C[C@@]1(NCc2cc(F)c(F)cc2F)CCOC1 ZINC000120223048 387214266 /nfs/dbraw/zinc/21/42/66/387214266.db2.gz ZXCHFCNHWPCRQY-GFCCVEGCSA-N 0 1 245.244 2.373 20 0 BEADMN CC[C@H]1COCCN1CCc1ccc(OC)cc1 ZINC000360257932 387253027 /nfs/dbraw/zinc/25/30/27/387253027.db2.gz SMFXPXNXFZVNNN-AWEZNQCLSA-N 0 1 249.354 2.349 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@H]1C ZINC000252112077 387220367 /nfs/dbraw/zinc/22/03/67/387220367.db2.gz HXGXGEYKFSVKCG-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@H](C)CC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000187939332 387220882 /nfs/dbraw/zinc/22/08/82/387220882.db2.gz YKRJBGAXSGVGQZ-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1COCCN1C[C@H]1CCOc2ccccc21 ZINC000648638948 387230627 /nfs/dbraw/zinc/23/06/27/387230627.db2.gz KZHDGYNWYGYLAC-QWHCGFSZSA-N 0 1 247.338 2.273 20 0 BEADMN C[C@H]1COCCN1C[C@@H]1CCOc2ccccc21 ZINC000648638949 387230665 /nfs/dbraw/zinc/23/06/65/387230665.db2.gz KZHDGYNWYGYLAC-STQMWFEESA-N 0 1 247.338 2.273 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)NCCCc1cn[nH]c1C ZINC000360139609 387232221 /nfs/dbraw/zinc/23/22/21/387232221.db2.gz DKKPHNJNERWDSO-DGCLKSJQSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@H](NCc1csc(C)n1)C(C)(C)O ZINC000292894884 387253688 /nfs/dbraw/zinc/25/36/88/387253688.db2.gz DGQIPHYTXLEYBN-JTQLQIEISA-N 0 1 228.361 2.091 20 0 BEADMN CCCCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC000187976831 387250152 /nfs/dbraw/zinc/25/01/52/387250152.db2.gz UAHXEHUEBQCACN-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN(CCCO)Cc1cnc(C(C)C)s1 ZINC000353652877 387251765 /nfs/dbraw/zinc/25/17/65/387251765.db2.gz JIHLFWCELGDUTO-UHFFFAOYSA-N 0 1 242.388 2.471 20 0 BEADMN C[C@@H]1CCN(Cc2n[nH]c(C(C)(C)C)n2)[C@H]1C ZINC000336365729 387197256 /nfs/dbraw/zinc/19/72/56/387197256.db2.gz KCHIZVFXMCRUKB-ZJUUUORDSA-N 0 1 236.363 2.333 20 0 BEADMN CC(C)CC[C@H](NCC(F)(F)CN)C1CC1 ZINC000423347595 387197893 /nfs/dbraw/zinc/19/78/93/387197893.db2.gz QRVQAYQWSUGTDD-NSHDSACASA-N 0 1 234.334 2.385 20 0 BEADMN O=C(NCCC1CC1)c1n[nH]c2ccccc21 ZINC000088462927 387199107 /nfs/dbraw/zinc/19/91/07/387199107.db2.gz PUMQRPQLGAXKIE-UHFFFAOYSA-N 0 1 229.283 2.093 20 0 BEADMN CCCCCCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371360101 387199243 /nfs/dbraw/zinc/19/92/43/387199243.db2.gz NPIDCXMXQMZGRQ-NSHDSACASA-N 0 1 249.358 2.354 20 0 BEADMN CC(C)(C)n1ncnc1CN1CC[C@H]2CCC[C@H]21 ZINC000336370984 387201471 /nfs/dbraw/zinc/20/14/71/387201471.db2.gz UAOKXTLTDFIGGA-VXGBXAGGSA-N 0 1 248.374 2.408 20 0 BEADMN CCCC[C@H](C)[C@H](C)NCC(F)(F)CN ZINC000423349641 387201522 /nfs/dbraw/zinc/20/15/22/387201522.db2.gz XGTGIQKQGSGSDK-UWVGGRQHSA-N 0 1 222.323 2.385 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H]2C(C)C)n[nH]1 ZINC000336480322 387309779 /nfs/dbraw/zinc/30/97/79/387309779.db2.gz GPXFDPOWOAUBPU-LBPRGKRZSA-N 0 1 235.331 2.404 20 0 BEADMN CC[C@@H](CN[C@H](C)c1nccs1)OC ZINC000290062310 387260983 /nfs/dbraw/zinc/26/09/83/387260983.db2.gz FRJSKJYABQNMKW-BDAKNGLRSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)c1nc(CSc2cnccn2)n[nH]1 ZINC000572190078 387263224 /nfs/dbraw/zinc/26/32/24/387263224.db2.gz QNFSNKPKEJMYPA-UHFFFAOYSA-N 0 1 235.316 2.010 20 0 BEADMN CCC[C@]1(NCc2nccs2)CCOC1 ZINC000285442164 387265629 /nfs/dbraw/zinc/26/56/29/387265629.db2.gz FUBWXSAWHMZNGU-NSHDSACASA-N 0 1 226.345 2.192 20 0 BEADMN F[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000648642255 387267450 /nfs/dbraw/zinc/26/74/50/387267450.db2.gz HFDIHRYMZPAYQS-JTQLQIEISA-N 0 1 219.263 2.107 20 0 BEADMN CN(Cc1nnc[nH]1)C[C@H]1C[C@H]1c1ccccc1 ZINC000353744308 387267477 /nfs/dbraw/zinc/26/74/77/387267477.db2.gz ZVLKHNKEOCHDED-OLZOCXBDSA-N 0 1 242.326 2.040 20 0 BEADMN CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000360372628 387272750 /nfs/dbraw/zinc/27/27/50/387272750.db2.gz ADKVNOFBPKOTCP-IRUJWGPZSA-N 0 1 249.358 2.202 20 0 BEADMN CC(C)[C@H]1CCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000520823395 387275414 /nfs/dbraw/zinc/27/54/14/387275414.db2.gz CSBLKFTTXMBPOX-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000336453363 387279440 /nfs/dbraw/zinc/27/94/40/387279440.db2.gz VYENLMZNSMOIGC-SNVBAGLBSA-N 0 1 222.336 2.124 20 0 BEADMN C[C@H]1COCCN1CCCN(C)c1ccccc1 ZINC000514725179 387279943 /nfs/dbraw/zinc/27/99/43/387279943.db2.gz MFBRUOTXWSTVNL-AWEZNQCLSA-N 0 1 248.370 2.234 20 0 BEADMN Cc1cncc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000336450885 387280182 /nfs/dbraw/zinc/28/01/82/387280182.db2.gz CZCHSIFLIPVILT-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1nc(C(C)C)oc1CN1C[C@H](O)C[C@H]1C ZINC000336452921 387280639 /nfs/dbraw/zinc/28/06/39/387280639.db2.gz JRLRJZOZPLTQLI-MWLCHTKSSA-N 0 1 238.331 2.062 20 0 BEADMN C[C@@H]1[C@H](C)[S@@](=O)CCN1CC1CCCCC1 ZINC000353821430 387280792 /nfs/dbraw/zinc/28/07/92/387280792.db2.gz RZNLBOHDNGWEAI-WQGACYEGSA-N 0 1 243.416 2.408 20 0 BEADMN CCCCCN1CCO[C@H](COC(C)C)C1 ZINC000372161124 387281934 /nfs/dbraw/zinc/28/19/34/387281934.db2.gz SWZGOLFZVBLAPZ-ZDUSSCGKSA-N 0 1 229.364 2.302 20 0 BEADMN Cc1ccsc1CN(C)Cc1n[nH]c(C)n1 ZINC000353865011 387287290 /nfs/dbraw/zinc/28/72/90/387287290.db2.gz HXZRBRFDZWQOKY-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN C[C@H]1C[C@H](C)C[NH+](Cc2ncccc2[O-])C1 ZINC000514819118 387290205 /nfs/dbraw/zinc/29/02/05/387290205.db2.gz VIALWWCKGXNIPQ-QWRGUYRKSA-N 0 1 220.316 2.265 20 0 BEADMN CC/C=C/CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000514791255 387292980 /nfs/dbraw/zinc/29/29/80/387292980.db2.gz KMJUQGJQFPOPCX-PGLGOXFNSA-N 0 1 211.305 2.282 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000212842275 387298865 /nfs/dbraw/zinc/29/88/65/387298865.db2.gz VOBZHDFHNBLJSH-ZDUSSCGKSA-N 0 1 249.310 2.005 20 0 BEADMN COCc1cc(CNCCCC2CC2)no1 ZINC000514843360 387302436 /nfs/dbraw/zinc/30/24/36/387302436.db2.gz GBRYQQJMMZOHHA-UHFFFAOYSA-N 0 1 224.304 2.101 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1nc2ccccc2o1 ZINC000459801696 387302817 /nfs/dbraw/zinc/30/28/17/387302817.db2.gz LMZRFRGTRILDET-PWSUYJOCSA-N 0 1 246.310 2.485 20 0 BEADMN CCOC[C@H](NCc1cc(C)no1)C(C)C ZINC000285973993 387303146 /nfs/dbraw/zinc/30/31/46/387303146.db2.gz DWVXLJQRIQFSDN-LBPRGKRZSA-N 0 1 226.320 2.134 20 0 BEADMN C[C@H](NCc1n[nH]cc1Br)C1CC1 ZINC000379403970 387306822 /nfs/dbraw/zinc/30/68/22/387306822.db2.gz QLXXMNWBOZUKHH-LURJTMIESA-N 0 1 244.136 2.060 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1[C@@H]1C=CCCC1 ZINC000360556178 387308458 /nfs/dbraw/zinc/30/84/58/387308458.db2.gz HCDMKXOKRZUXAB-UPJWGTAASA-N 0 1 237.343 2.369 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCNC[C@H]1CCC ZINC000423525423 387355352 /nfs/dbraw/zinc/35/53/52/387355352.db2.gz YFHVNWJKELVTEN-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CO[C@@H]1C[C@H](N(C)Cc2ccno2)C12CCC2 ZINC000515293346 387357302 /nfs/dbraw/zinc/35/73/02/387357302.db2.gz QCNNBIROUNDZAT-NWDGAFQWSA-N 0 1 236.315 2.064 20 0 BEADMN COC(=O)c1ccoc1CN[C@@H]1CCC1(C)C ZINC000515309468 387358026 /nfs/dbraw/zinc/35/80/26/387358026.db2.gz GKXNDZXQDLFDDE-LLVKDONJSA-N 0 1 237.299 2.344 20 0 BEADMN Cc1cc(CN2CCC(c3c[nH]cn3)CC2)on1 ZINC000336552192 387373117 /nfs/dbraw/zinc/37/31/17/387373117.db2.gz HRCTYQIJUPXICT-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN Cc1noc(C)c1CN1CCC12CCC2 ZINC000336555690 387380633 /nfs/dbraw/zinc/38/06/33/387380633.db2.gz WTERNVRBYFQCFP-UHFFFAOYSA-N 0 1 206.289 2.420 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1ncccc1F ZINC000648483968 387380852 /nfs/dbraw/zinc/38/08/52/387380852.db2.gz XLJYPFSPGMOGLY-GZMMTYOYSA-N 0 1 226.320 2.062 20 0 BEADMN C[C@@]1(F)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263508765 387381935 /nfs/dbraw/zinc/38/19/35/387381935.db2.gz YAOBCPBKPMLCBP-CYBMUJFWSA-N 0 1 237.274 2.319 20 0 BEADMN CCOCCOC1CN(CC2CCCCC2)C1 ZINC000354188663 387340499 /nfs/dbraw/zinc/34/04/99/387340499.db2.gz NABVPVOXZGBIOR-UHFFFAOYSA-N 0 1 241.375 2.304 20 0 BEADMN CC(C)=CCC[C@H](C)NCc1cnn(C)n1 ZINC000286871717 387345404 /nfs/dbraw/zinc/34/54/04/387345404.db2.gz BVAWEUDRYMOBNK-NSHDSACASA-N 0 1 222.336 2.040 20 0 BEADMN C[C@@]1(F)CCN(C(=O)c2c(O)cccc2F)C1 ZINC000336529822 387353243 /nfs/dbraw/zinc/35/32/43/387353243.db2.gz YHFSETYEZGRFIL-GFCCVEGCSA-N 0 1 241.237 2.105 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@H]2CO)cc1C ZINC000336599797 387424331 /nfs/dbraw/zinc/42/43/31/387424331.db2.gz OHHSLFULRXKPBJ-KGLIPLIRSA-N 0 1 237.318 2.208 20 0 BEADMN CC(C)C1CC(NCc2nnc(C3CC3)[nH]2)C1 ZINC000648672247 387429421 /nfs/dbraw/zinc/42/94/21/387429421.db2.gz GAPONDBSYHZUNZ-UHFFFAOYSA-N 0 1 234.347 2.206 20 0 BEADMN CC[C@H](O)C[N@@H+](CC)Cc1cccc(F)c1 ZINC000304025809 387430263 /nfs/dbraw/zinc/43/02/63/387430263.db2.gz ZFDSGIWVBGIDBH-ZDUSSCGKSA-N 0 1 225.307 2.419 20 0 BEADMN CC[C@H](O)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000304289994 387458529 /nfs/dbraw/zinc/45/85/29/387458529.db2.gz CBQZVMLVHPSURX-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN Fc1ccc2c(c1)[C@H](NCC1=CCCOC1)CO2 ZINC000336575165 387397480 /nfs/dbraw/zinc/39/74/80/387397480.db2.gz KRSQQLCFNPHCGD-CYBMUJFWSA-N 0 1 249.285 2.196 20 0 BEADMN CCC(CC)c1cc(CNC[C@H](C)O)on1 ZINC000515637840 387403968 /nfs/dbraw/zinc/40/39/68/387403968.db2.gz GFOOISNCGDLDFZ-VIFPVBQESA-N 0 1 226.320 2.049 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@@H]1C ZINC000361193684 387414521 /nfs/dbraw/zinc/41/45/21/387414521.db2.gz ILUFZNGXSRZENI-SRVKXCTJSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1nc(C(C)C)oc1CN1CCC(O)CC1 ZINC000336598985 387422279 /nfs/dbraw/zinc/42/22/79/387422279.db2.gz IQBPVUUAUPMZFW-UHFFFAOYSA-N 0 1 238.331 2.063 20 0 BEADMN CC[C@H]1CN(CCc2cccc(C)n2)C[C@H](C)O1 ZINC000516282214 387496102 /nfs/dbraw/zinc/49/61/02/387496102.db2.gz HKAXKTLKEMBMTD-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC2(C1)CCCCC2 ZINC000237412034 387503387 /nfs/dbraw/zinc/50/33/87/387503387.db2.gz JXUAAMPMFYTXRV-SNVBAGLBSA-N 0 1 211.305 2.116 20 0 BEADMN C(c1nnc(C2CC2)[nH]1)N(CC1CC1)C1CCC1 ZINC000361587118 387504854 /nfs/dbraw/zinc/50/48/54/387504854.db2.gz UWVLYDFEIAJWAZ-UHFFFAOYSA-N 0 1 246.358 2.447 20 0 BEADMN CCOCC[C@@H](O)CN1Cc2ccc(C)cc2C1 ZINC000361601021 387506962 /nfs/dbraw/zinc/50/69/62/387506962.db2.gz IEBBFEUXDORTIX-OAHLLOKOSA-N 0 1 249.354 2.098 20 0 BEADMN CCOCCN1Cc2ccc(C)cc2C1 ZINC000361595464 387507687 /nfs/dbraw/zinc/50/76/87/387507687.db2.gz VTEIXBCGSIFSNR-UHFFFAOYSA-N 0 1 205.301 2.347 20 0 BEADMN Cc1ccccc1C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000042436176 387509829 /nfs/dbraw/zinc/50/98/29/387509829.db2.gz CPYJBPSVXZNGRD-UHFFFAOYSA-N 0 1 221.300 2.290 20 0 BEADMN CC[C@@H](NC(=O)c1ccnc(CN)c1)C(C)(C)C ZINC000361609241 387510640 /nfs/dbraw/zinc/51/06/40/387510640.db2.gz IEFFBULUQMULEO-GFCCVEGCSA-N 0 1 249.358 2.095 20 0 BEADMN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2CCCOC2)o1 ZINC000355327310 387519791 /nfs/dbraw/zinc/51/97/91/387519791.db2.gz VLKSJJTWOQNZKE-GRYCIOLGSA-N 0 1 238.331 2.449 20 0 BEADMN c1ccc(OC[C@H]2CN(CC3CC3)CCO2)cc1 ZINC000361663632 387520977 /nfs/dbraw/zinc/52/09/77/387520977.db2.gz VGTDRCKVMOSMED-OAHLLOKOSA-N 0 1 247.338 2.176 20 0 BEADMN C[C@H](CNCc1cocn1)CC(F)(F)F ZINC000396952506 387521783 /nfs/dbraw/zinc/52/17/83/387521783.db2.gz CXWOZNQMVASIMM-ZETCQYMHSA-N 0 1 222.210 2.353 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H](O)C3(CC3)C2)o1 ZINC000375285976 387522388 /nfs/dbraw/zinc/52/23/88/387522388.db2.gz GTHSCHGWCQNNQF-SCDSUCTJSA-N 0 1 247.338 2.360 20 0 BEADMN C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)C(C)(C)C ZINC000352825612 387530914 /nfs/dbraw/zinc/53/09/14/387530914.db2.gz STVJRXOPLUSXOM-IJLUTSLNSA-N 0 1 240.391 2.220 20 0 BEADMN CCCC[C@H](CC)CN1CCN(C)C(=O)[C@@H]1C ZINC000426161283 387544452 /nfs/dbraw/zinc/54/44/52/387544452.db2.gz NJJUSENTAIPUML-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(C)c(CN[C@@H](C)c2ccnn2C)cn1 ZINC000397048339 387533484 /nfs/dbraw/zinc/53/34/84/387533484.db2.gz QBLVTJUNASXERE-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN CCn1cc(CNCc2cnc(C)cc2C)cn1 ZINC000397059240 387536336 /nfs/dbraw/zinc/53/63/36/387536336.db2.gz VTEXQHAPTNGTLM-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CC/C=C\CCN1CCN(CC)C(=O)C1(C)C ZINC000426107510 387538679 /nfs/dbraw/zinc/53/86/79/387538679.db2.gz YWXOXKBKFCPQAL-FPLPWBNLSA-N 0 1 238.375 2.285 20 0 BEADMN COCC1=CCN(C/C=C\c2ccncc2)CC1 ZINC000426148399 387541874 /nfs/dbraw/zinc/54/18/74/387541874.db2.gz INUVFSWEMYAHPZ-IHWYPQMZSA-N 0 1 244.338 2.373 20 0 BEADMN CO[C@@H]1[C@@H](C)[C@@H](NCc2ncc(C)o2)C1(C)C ZINC000355043827 387471049 /nfs/dbraw/zinc/47/10/49/387471049.db2.gz SOGXZAIWVMSWPH-MVWJERBFSA-N 0 1 238.331 2.132 20 0 BEADMN Cn1cc(CNCc2ccc3occc3c2)cn1 ZINC000352752996 387471755 /nfs/dbraw/zinc/47/17/55/387471755.db2.gz BQDMNQONLPLNRG-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355156090 387490306 /nfs/dbraw/zinc/49/03/06/387490306.db2.gz ABNFHDROKHLMTF-JQWIXIFHSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000355156090 387490311 /nfs/dbraw/zinc/49/03/11/387490311.db2.gz ABNFHDROKHLMTF-JQWIXIFHSA-N 0 1 247.342 2.119 20 0 BEADMN Cc1cnccc1NC(=O)c1c(O)cccc1F ZINC000123637573 387588697 /nfs/dbraw/zinc/58/86/97/387588697.db2.gz BTCIBUUSYUKFBM-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000375922322 387595022 /nfs/dbraw/zinc/59/50/22/387595022.db2.gz MQAWMROHEQQQSQ-BXKDBHETSA-N 0 1 247.342 2.080 20 0 BEADMN CN(CCc1ccncc1)CC1(F)CC1 ZINC000527526033 387595294 /nfs/dbraw/zinc/59/52/94/387595294.db2.gz RETXUPFVSGLJKS-UHFFFAOYSA-N 0 1 208.280 2.058 20 0 BEADMN CC(C)=CC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375971076 387596021 /nfs/dbraw/zinc/59/60/21/387596021.db2.gz ZYXPLMYKPQHJOA-UHFFFAOYSA-N 0 1 247.342 2.390 20 0 BEADMN c1cc(CN[C@@H]2CCc3ccccc3OC2)on1 ZINC000367218021 387596591 /nfs/dbraw/zinc/59/65/91/387596591.db2.gz DPPBIRJGMHFSAB-GFCCVEGCSA-N 0 1 244.294 2.158 20 0 BEADMN COCc1ccc(CN2[C@H](C)C[C@@H]2C)o1 ZINC000527529608 387599335 /nfs/dbraw/zinc/59/93/35/387599335.db2.gz HVZMEXHIJDMOKV-AOOOYVTPSA-N 0 1 209.289 2.409 20 0 BEADMN Cc1cc(CN2CCOCC3(CC3)C2)ccn1 ZINC000527538640 387605805 /nfs/dbraw/zinc/60/58/05/387605805.db2.gz MHRUVQNDOYQABI-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN CN(Cc1ccoc1)Cc1c[nH]c2nccnc12 ZINC000356078944 387613561 /nfs/dbraw/zinc/61/35/61/387613561.db2.gz ADNOWLYKHLEXRU-UHFFFAOYSA-N 0 1 242.282 2.135 20 0 BEADMN Cc1ncc(CNCc2cncc(C)c2)s1 ZINC000122941342 387619343 /nfs/dbraw/zinc/61/93/43/387619343.db2.gz BJPNXBHXNVQUMC-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN Cc1cncc(CNCc2ccncc2)c1 ZINC000122991357 387622057 /nfs/dbraw/zinc/62/20/57/387622057.db2.gz UGFRTUYPUATTBD-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CN(Cc1cccc(Cl)c1)C(=O)c1ccn[nH]1 ZINC000042276960 387624241 /nfs/dbraw/zinc/62/42/41/387624241.db2.gz QJFNKMHRVMKRHN-UHFFFAOYSA-N 0 1 249.701 2.335 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnc(N2CCCC2)nc1 ZINC000527238395 387545765 /nfs/dbraw/zinc/54/57/65/387545765.db2.gz BXDPDBQIWBGTEP-RYUDHWBXSA-N 0 1 246.358 2.060 20 0 BEADMN Cc1cnc([C@H](C)N(C)[C@@H]2CCCC[C@H]2O)o1 ZINC000426198499 387548146 /nfs/dbraw/zinc/54/81/46/387548146.db2.gz JOJZXMSXJSOSBN-QJPTWQEYSA-N 0 1 238.331 2.279 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)NC1CCC(C)CC1 ZINC000548425760 387549857 /nfs/dbraw/zinc/54/98/57/387549857.db2.gz AEYNJAPILPLUMI-QZQSVVMZSA-N 0 1 238.375 2.164 20 0 BEADMN CC(C)[C@]1(C)C[C@@H]1Nc1ncnc2[nH]cnc21 ZINC000397189904 387549997 /nfs/dbraw/zinc/54/99/97/387549997.db2.gz OKJWKPLLYJDPMB-UFBFGSQYSA-N 0 1 231.303 2.199 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426234633 387550188 /nfs/dbraw/zinc/55/01/88/387550188.db2.gz DEYMXONRGHMNPX-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)CN1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426234633 387550192 /nfs/dbraw/zinc/55/01/92/387550192.db2.gz DEYMXONRGHMNPX-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN OC1(C(F)F)CCN(CCC(F)(F)F)CC1 ZINC000426243642 387550233 /nfs/dbraw/zinc/55/02/33/387550233.db2.gz DLAQDRKAIFUDJT-UHFFFAOYSA-N 0 1 247.207 2.031 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000548426350 387551331 /nfs/dbraw/zinc/55/13/31/387551331.db2.gz UURYMZZPNRKBCN-YVECIDJPSA-N 0 1 238.375 2.259 20 0 BEADMN C[C@@H](O)CN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000375612007 387558080 /nfs/dbraw/zinc/55/80/80/387558080.db2.gz LQNLBMGCTFFYAD-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN CC[C@H]1CCCN(CC(=O)c2cccn2C)C1 ZINC000035255795 387562524 /nfs/dbraw/zinc/56/25/24/387562524.db2.gz NXURJPISXMSZHE-LBPRGKRZSA-N 0 1 234.343 2.330 20 0 BEADMN CCC[C@](C)(CC)C(=O)N1CCCN(C)CC1 ZINC000375668517 387565222 /nfs/dbraw/zinc/56/52/22/387565222.db2.gz HNHQIROXIIGSKA-AWEZNQCLSA-N 0 1 240.391 2.367 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCCC(C)C ZINC000426481100 387574034 /nfs/dbraw/zinc/57/40/34/387574034.db2.gz YJGWQBILBALFED-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN Cn1nc(C(F)(F)F)cc1C1=CCN(C)CC1 ZINC000527588278 387634724 /nfs/dbraw/zinc/63/47/24/387634724.db2.gz PVUCXOWPYHYDBW-UHFFFAOYSA-N 0 1 245.248 2.158 20 0 BEADMN C[C@]1(c2ccccc2)CC[N@@H+](CCC(=O)[O-])C1 ZINC000430682953 387639058 /nfs/dbraw/zinc/63/90/58/387639058.db2.gz YNLNCRPIVDWRJB-AWEZNQCLSA-N 0 1 233.311 2.125 20 0 BEADMN Fc1cc(Br)cnc1CNC1CC1 ZINC000527628830 387641410 /nfs/dbraw/zinc/64/14/10/387641410.db2.gz DZMSWSOGZAQBRQ-UHFFFAOYSA-N 0 1 245.095 2.235 20 0 BEADMN COc1cc(CNCc2ccnc(C)c2)ccn1 ZINC000527636473 387646681 /nfs/dbraw/zinc/64/66/81/387646681.db2.gz USCOSHHLTZJHEJ-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN COCC[C@H](C)NCc1noc2c1CCCC2 ZINC000376610083 387655233 /nfs/dbraw/zinc/65/52/33/387655233.db2.gz LQZCUSVMYNWJKR-JTQLQIEISA-N 0 1 238.331 2.068 20 0 BEADMN CCC[C@](C)(CC)C(=O)NCCN1CCC1 ZINC000356487741 387663223 /nfs/dbraw/zinc/66/32/23/387663223.db2.gz XWCQDKDUJADZMW-ZDUSSCGKSA-N 0 1 226.364 2.025 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NCCN1CCC1 ZINC000356487739 387663402 /nfs/dbraw/zinc/66/34/02/387663402.db2.gz XWCQDKDUJADZMW-CYBMUJFWSA-N 0 1 226.364 2.025 20 0 BEADMN CCCN1C(=O)N=NC1SC1CCC1 ZINC000430987325 387667154 /nfs/dbraw/zinc/66/71/54/387667154.db2.gz HFACEBAEABBDJJ-UHFFFAOYSA-N 0 1 213.306 2.038 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2ncnn2CC)C1 ZINC000451953024 387687204 /nfs/dbraw/zinc/68/72/04/387687204.db2.gz IQJIMXQZCXIRMR-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@@H](F)CN(C)CCC(=O)OC(C)(C)C ZINC000440797233 387689104 /nfs/dbraw/zinc/68/91/04/387689104.db2.gz HNVGFDQNQSMHKR-SNVBAGLBSA-N 0 1 233.327 2.398 20 0 BEADMN C[C@H](F)CCNC(=O)c1cccc2nc[nH]c21 ZINC000356667273 387693688 /nfs/dbraw/zinc/69/36/88/387693688.db2.gz IZGIRWYBGQDCTK-QMMMGPOBSA-N 0 1 235.262 2.041 20 0 BEADMN Cc1nn(C)cc1CN1CCC(F)(F)C[C@@H]1C ZINC000528774858 387749317 /nfs/dbraw/zinc/74/93/17/387749317.db2.gz WMIYQFJMBKMWOH-VIFPVBQESA-N 0 1 243.301 2.348 20 0 BEADMN CC(C)(C)OCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000377809177 387750270 /nfs/dbraw/zinc/75/02/70/387750270.db2.gz MHMYPAUUAVRZJN-GFCCVEGCSA-N 0 1 237.347 2.362 20 0 BEADMN C[C@H]1CCC(C)(C)N1Cc1cn(CC2CC2)nn1 ZINC000452022036 387701068 /nfs/dbraw/zinc/70/10/68/387701068.db2.gz OWKPNWOUDLYPCC-NSHDSACASA-N 0 1 248.374 2.451 20 0 BEADMN CC(C)(C)c1nc(CNCC2COC2)cs1 ZINC000527818759 387707891 /nfs/dbraw/zinc/70/78/91/387707891.db2.gz SZJYDIGBPXHNSO-UHFFFAOYSA-N 0 1 240.372 2.177 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cncc(F)c1 ZINC000527783555 387712653 /nfs/dbraw/zinc/71/26/53/387712653.db2.gz ZEYSFRWXHHTEHS-BIMULSAOSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1ncccc1CNCc1cncn1C(C)C ZINC000527793192 387720313 /nfs/dbraw/zinc/72/03/13/387720313.db2.gz HAADNQAULATKDD-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1ncc(CN[C@@H]2C[C@]2(C)OC(C)C)s1 ZINC000527798953 387721181 /nfs/dbraw/zinc/72/11/81/387721181.db2.gz JCBVQXPZPOAUBJ-NEPJUHHUSA-N 0 1 240.372 2.497 20 0 BEADMN C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)c1nnc[nH]1 ZINC000356797609 387722153 /nfs/dbraw/zinc/72/21/53/387722153.db2.gz GICIFECDFMKQHG-DTWKUNHWSA-N 0 1 238.335 2.054 20 0 BEADMN CC(C)(C)C[C@H]1CCN(Cc2nccc(N)n2)C1 ZINC000452075572 387729221 /nfs/dbraw/zinc/72/92/21/387729221.db2.gz IEEKUPNXNOAMNU-LLVKDONJSA-N 0 1 248.374 2.147 20 0 BEADMN COC(=O)CN(C(C)C)C1CC(C)(C)C1 ZINC000452105304 387739147 /nfs/dbraw/zinc/73/91/47/387739147.db2.gz NRRLMLYLWFLMAB-UHFFFAOYSA-N 0 1 213.321 2.058 20 0 BEADMN CCCn1cc(CN(C)CCSC)cn1 ZINC000128209633 387740284 /nfs/dbraw/zinc/74/02/84/387740284.db2.gz MJTCIKOGTPALIC-UHFFFAOYSA-N 0 1 227.377 2.088 20 0 BEADMN CCc1nnc(SCCOC2CCCC2)[nH]1 ZINC000431933592 387741439 /nfs/dbraw/zinc/74/14/39/387741439.db2.gz CPSAVJDGBLOHBQ-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN CCc1n[nH]c(SCCOC2CCCC2)n1 ZINC000431933592 387741446 /nfs/dbraw/zinc/74/14/46/387741446.db2.gz CPSAVJDGBLOHBQ-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN COC[C@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000356991204 387762272 /nfs/dbraw/zinc/76/22/72/387762272.db2.gz VMTSMANAFROXAM-QWRGUYRKSA-N 0 1 224.304 2.012 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)o1 ZINC000356993861 387762292 /nfs/dbraw/zinc/76/22/92/387762292.db2.gz XZCNUEZGBQHHME-SRVKXCTJSA-N 0 1 238.331 2.137 20 0 BEADMN CCN(CC(=O)NCCCC(C)(F)F)C1CC1 ZINC000452203750 387769713 /nfs/dbraw/zinc/76/97/13/387769713.db2.gz VCGADQCLDHVFHQ-UHFFFAOYSA-N 0 1 248.317 2.022 20 0 BEADMN Cc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)[O-])cc1 ZINC000212299418 387772755 /nfs/dbraw/zinc/77/27/55/387772755.db2.gz NENZGMFNDBUBDZ-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCC[C@H]1C1CCC1 ZINC000648704312 387775315 /nfs/dbraw/zinc/77/53/15/387775315.db2.gz HDKHNCPLKBSULJ-LBPRGKRZSA-N 0 1 233.315 2.205 20 0 BEADMN Cn1nncc1CN1CCC(C2CCCC2)CC1 ZINC000378342639 387776826 /nfs/dbraw/zinc/77/68/26/387776826.db2.gz PREPRZFZRRWUNF-UHFFFAOYSA-N 0 1 248.374 2.217 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@@H]2CC23CC3)s1 ZINC000527901156 387780017 /nfs/dbraw/zinc/78/00/17/387780017.db2.gz OCBDSBNLWIWAIR-BDAKNGLRSA-N 0 1 237.372 2.379 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1ccsc1 ZINC000527913806 387786505 /nfs/dbraw/zinc/78/65/05/387786505.db2.gz BSYZQRIPTDZQCT-VIFPVBQESA-N 0 1 236.344 2.210 20 0 BEADMN CCn1nncc1CN[C@@H](C)c1cccs1 ZINC000527920639 387790079 /nfs/dbraw/zinc/79/00/79/387790079.db2.gz PVXDWWUCKXGDBY-VIFPVBQESA-N 0 1 236.344 2.210 20 0 BEADMN CCC[C@@H]1CN(CCC[C@@H]2CCOC2)CCO1 ZINC000645841607 387791257 /nfs/dbraw/zinc/79/12/57/387791257.db2.gz YEMFSRIWZNTRRH-ZIAGYGMSSA-N 0 1 241.375 2.304 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)c1ccccc1 ZINC000050183204 387791827 /nfs/dbraw/zinc/79/18/27/387791827.db2.gz UMPMQDTYDJTCQP-UHFFFAOYSA-N 0 1 243.310 2.081 20 0 BEADMN CCC[C@H]1CN(CCC[C@@H]2CCOC2)CCO1 ZINC000645841605 387792402 /nfs/dbraw/zinc/79/24/02/387792402.db2.gz YEMFSRIWZNTRRH-KGLIPLIRSA-N 0 1 241.375 2.304 20 0 BEADMN c1ccc2c(c1)CC(CN1CC3(C1)CCCO3)C2 ZINC000628427604 387793057 /nfs/dbraw/zinc/79/30/57/387793057.db2.gz MDRVPIDBHDZGQC-UHFFFAOYSA-N 0 1 243.350 2.266 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000527972594 387813209 /nfs/dbraw/zinc/81/32/09/387813209.db2.gz BGEWSNLJMZAMPJ-BZPMIXESSA-N 0 1 249.358 2.028 20 0 BEADMN Cc1nc(CN2CCC[C@](C)(O)C2)sc1C ZINC000160995674 387813231 /nfs/dbraw/zinc/81/32/31/387813231.db2.gz RRXGJQCPYXXIDU-LBPRGKRZSA-N 0 1 240.372 2.107 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)no1 ZINC000528005377 387807918 /nfs/dbraw/zinc/80/79/18/387807918.db2.gz IJWPUTBAUVPSQW-XPCJQDJLSA-N 0 1 238.331 2.446 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCOCC2)[C@@H](C)[C@@H](C)O1 ZINC000432789224 387820210 /nfs/dbraw/zinc/82/02/10/387820210.db2.gz QIEPQWYGKQEAIG-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)c2nccn21 ZINC000528008347 387820296 /nfs/dbraw/zinc/82/02/96/387820296.db2.gz SEXTWXVTSMPSOD-KISRQWFGSA-N 0 1 249.358 2.290 20 0 BEADMN CC[C@H](O)CNCc1c(F)cc(C)cc1F ZINC000424173825 387872890 /nfs/dbraw/zinc/87/28/90/387872890.db2.gz ORIYCCSMJLBRHI-VIFPVBQESA-N 0 1 229.270 2.134 20 0 BEADMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccoc1 ZINC000309547891 387821256 /nfs/dbraw/zinc/82/12/56/387821256.db2.gz HIVGDYZWQFSECE-VXNVDRBHSA-N 0 1 237.221 2.244 20 0 BEADMN CC[C@@H](C)CN(C)Cc1snnc1C ZINC000564090279 387823691 /nfs/dbraw/zinc/82/36/91/387823691.db2.gz NJUUKRFAHQEPRU-MRVPVSSYSA-N 0 1 213.350 2.324 20 0 BEADMN C[C@H]1C[C@@H]1CN(C)Cc1cn2c(n1)CCCC2 ZINC000432812585 387824540 /nfs/dbraw/zinc/82/45/40/387824540.db2.gz JCFWWNYXEDHMOW-NWDGAFQWSA-N 0 1 233.359 2.307 20 0 BEADMN CN(Cc1n[nH]c(C(C)(C)C)n1)CC1CCC1 ZINC000432829155 387830631 /nfs/dbraw/zinc/83/06/31/387830631.db2.gz ONPSPCXNQBQTIZ-UHFFFAOYSA-N 0 1 236.363 2.334 20 0 BEADMN CN(Cc1cc(C(F)(F)F)n[nH]1)CC1CC1 ZINC000442804006 387844555 /nfs/dbraw/zinc/84/45/55/387844555.db2.gz VJCWMMDOTWKOBE-UHFFFAOYSA-N 0 1 233.237 2.270 20 0 BEADMN CC(C)=CCC[C@H](C)NC(=O)[C@H]1CCCN1C ZINC000452555915 387857486 /nfs/dbraw/zinc/85/74/86/387857486.db2.gz ZZZXFWIFBWVUGV-QWHCGFSZSA-N 0 1 238.375 2.332 20 0 BEADMN CCc1cc(C(=O)N(C)Cc2ccsc2)n[nH]1 ZINC000032235738 387863863 /nfs/dbraw/zinc/86/38/63/387863863.db2.gz MMLJXFDWWRYHKF-UHFFFAOYSA-N 0 1 249.339 2.306 20 0 BEADMN Cc1nc(CNC[C@@]2(O)CCC[C@H]2C)cs1 ZINC000328081216 387865149 /nfs/dbraw/zinc/86/51/49/387865149.db2.gz GSEXNQZSLQTLQH-SKDRFNHKSA-N 0 1 240.372 2.092 20 0 BEADMN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccccn1 ZINC000527972553 387814161 /nfs/dbraw/zinc/81/41/61/387814161.db2.gz AYNNEDQBPJOOEU-RTXFEEFZSA-N 0 1 220.316 2.300 20 0 BEADMN C[C@H](Cn1cccn1)N[C@@H](C)c1ncccc1F ZINC000528036892 387818815 /nfs/dbraw/zinc/81/88/15/387818815.db2.gz ZZAWLARJTQGWBX-MNOVXSKESA-N 0 1 248.305 2.157 20 0 BEADMN CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC1(C)CCC1 ZINC000432791201 387818959 /nfs/dbraw/zinc/81/89/59/387818959.db2.gz FQWZXXAXCAYVCJ-AWEZNQCLSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(C(F)F)s1 ZINC000153273331 387889671 /nfs/dbraw/zinc/88/96/71/387889671.db2.gz IPAUZIYDNWAJRV-UHFFFAOYSA-N 0 1 245.258 2.119 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000424185198 387898871 /nfs/dbraw/zinc/89/88/71/387898871.db2.gz FNPBSDHALQSDDV-QJPTWQEYSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CNCC2CCC(C)CC2)n1 ZINC000424184658 387899028 /nfs/dbraw/zinc/89/90/28/387899028.db2.gz DPXFFASZJVWYPP-UHFFFAOYSA-N 0 1 249.358 2.401 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1CCc1cccc(C)n1 ZINC000645776622 387899026 /nfs/dbraw/zinc/89/90/26/387899026.db2.gz FKTGLQVQUAFVIG-ZFWWWQNUSA-N 0 1 248.370 2.432 20 0 BEADMN CCN(CC1=CCCC1)C[C@@H](O)C(F)(F)F ZINC000645861844 387881540 /nfs/dbraw/zinc/88/15/40/387881540.db2.gz SIXZQOVMCLIXLK-SNVBAGLBSA-N 0 1 237.265 2.342 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](C)C1CC1 ZINC000645744048 387883640 /nfs/dbraw/zinc/88/36/40/387883640.db2.gz FGYOBPDPRCCZRO-BXUZGUMPSA-N 0 1 246.354 2.157 20 0 BEADMN CC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000194599115 387886249 /nfs/dbraw/zinc/88/62/49/387886249.db2.gz OZOIGZLSHPLGPH-UHFFFAOYSA-N 0 1 247.323 2.077 20 0 BEADMN CSc1nn(C[C@@H](C)c2ccccc2)c(=O)[nH]1 ZINC000194576008 387886477 /nfs/dbraw/zinc/88/64/77/387886477.db2.gz RGEUOGJOCWDZFZ-SECBINFHSA-N 0 1 249.339 2.097 20 0 BEADMN CC(C)C(C)(C)CNC(=O)c1[nH]nc2c1CCC2 ZINC000438382191 387930720 /nfs/dbraw/zinc/93/07/20/387930720.db2.gz WYEHACASURDYJN-UHFFFAOYSA-N 0 1 249.358 2.310 20 0 BEADMN CC[C@@H]1CN(C2CC(OC(C)C)C2)C[C@H](C)O1 ZINC000459349014 387932064 /nfs/dbraw/zinc/93/20/64/387932064.db2.gz RKGXTYPOWDCJEX-RJZJGCCBSA-N 0 1 241.375 2.442 20 0 BEADMN CCC1(CNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000178171810 387920583 /nfs/dbraw/zinc/92/05/83/387920583.db2.gz RCMKOVINRMLIAN-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN Cc1cc(CC(=O)NCC2CCCCCC2)[nH]n1 ZINC000452797959 387923799 /nfs/dbraw/zinc/92/37/99/387923799.db2.gz WHDVIHCZCXGKET-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN C[C@H](CO)N(C)Cc1ccc(Cl)s1 ZINC000158385160 387928259 /nfs/dbraw/zinc/92/82/59/387928259.db2.gz YKYXXFBKOPVBSP-SSDOTTSWSA-N 0 1 219.737 2.214 20 0 BEADMN CC(C)N(C)C(=O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000438762021 387954202 /nfs/dbraw/zinc/95/42/02/387954202.db2.gz FQSMEVSHDFIROB-ZDUSSCGKSA-N 0 1 249.358 2.018 20 0 BEADMN CCn1cc(CN(C)CC2=CCCC2)cn1 ZINC000645802715 387941223 /nfs/dbraw/zinc/94/12/23/387941223.db2.gz HHOPNLUUZLCJMU-UHFFFAOYSA-N 0 1 219.332 2.445 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@@H]2C(C)C)n1 ZINC000424309732 387964579 /nfs/dbraw/zinc/96/45/79/387964579.db2.gz QZYQDKHYGWFJTO-VXGBXAGGSA-N 0 1 249.358 2.400 20 0 BEADMN C[C@@H](CF)NCc1ccc2c(c1)ncn2C ZINC000288349735 387979373 /nfs/dbraw/zinc/97/93/73/387979373.db2.gz BXBQOSNKXIRZMT-VIFPVBQESA-N 0 1 221.279 2.021 20 0 BEADMN CCCCOCCN[C@H](C)c1nccn1CC ZINC000453078005 387980453 /nfs/dbraw/zinc/98/04/53/387980453.db2.gz BGMGDKURCRULEB-GFCCVEGCSA-N 0 1 239.363 2.370 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000453075155 387980769 /nfs/dbraw/zinc/98/07/69/387980769.db2.gz IHUMOAQQFRKDHV-GRYCIOLGSA-N 0 1 237.347 2.121 20 0 BEADMN CC[C@@H](C)N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453056854 387975334 /nfs/dbraw/zinc/97/53/34/387975334.db2.gz LVRXTHCLZXFWMW-RNCFNFMXSA-N 0 1 248.305 2.421 20 0 BEADMN CCn1ccnc1[C@@H](C)NC[C@@H]1CCCCO1 ZINC000453074157 387978398 /nfs/dbraw/zinc/97/83/98/387978398.db2.gz JZIXVSYBMNPYNP-NEPJUHHUSA-N 0 1 237.347 2.123 20 0 BEADMN CC[C@H](NC(=O)Cc1cc(C)n[nH]1)C(C)(C)C ZINC000446052736 387987499 /nfs/dbraw/zinc/98/74/99/387987499.db2.gz NBUAYIVAYCZTIN-NSHDSACASA-N 0 1 237.347 2.202 20 0 BEADMN CCN(C)[C@H](C(=O)N[C@@H]1C[C@H]1C)c1ccccc1 ZINC000245855523 387987591 /nfs/dbraw/zinc/98/75/91/387987591.db2.gz OJZMSKGYVKCORR-BNOWGMLFSA-N 0 1 246.354 2.204 20 0 BEADMN CC(C)CN(C(=O)CN1[C@H](C)C[C@@H]1C)C(C)C ZINC000548096959 387991215 /nfs/dbraw/zinc/99/12/15/387991215.db2.gz ACQSERSMTBJRGW-BETUJISGSA-N 0 1 240.391 2.362 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccncn1 ZINC000453105766 387985600 /nfs/dbraw/zinc/98/56/00/387985600.db2.gz GDFVTWDGOZVMMA-CHWSQXEVSA-N 0 1 248.374 2.002 20 0 BEADMN Nc1ccoc1-c1nc(C2(N)CCCCC2)no1 ZINC000424349426 387985912 /nfs/dbraw/zinc/98/59/12/387985912.db2.gz WCRZNBZVLWPBHF-UHFFFAOYSA-N 0 1 248.286 2.030 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccncn1 ZINC000453105769 387986425 /nfs/dbraw/zinc/98/64/25/387986425.db2.gz GDFVTWDGOZVMMA-QWHCGFSZSA-N 0 1 248.374 2.002 20 0 BEADMN Cc1nnc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)o1 ZINC000245970942 387997571 /nfs/dbraw/zinc/99/75/71/387997571.db2.gz WKGGZARIDFEWSN-BBBLOLIVSA-N 0 1 223.320 2.417 20 0 BEADMN COC[C@H](C)CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000446096242 387999393 /nfs/dbraw/zinc/99/93/93/387999393.db2.gz UNEQQPWAFCSSQW-SECBINFHSA-N 0 1 247.298 2.174 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CC[C@@H]1SC ZINC000453156167 387999821 /nfs/dbraw/zinc/99/98/21/387999821.db2.gz ZFGMQZKTGFYAHX-DCAQKATOSA-N 0 1 239.388 2.448 20 0 BEADMN Cc1cc(C(=O)N(C2CC2)C2CCCC2)n[nH]1 ZINC000107593468 388004014 /nfs/dbraw/zinc/00/40/14/388004014.db2.gz JVRVWTGKRQMQIU-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN COc1cc2[nH]c(-c3ccnn3C)nc2cc1C ZINC000446147272 388005385 /nfs/dbraw/zinc/00/53/85/388005385.db2.gz NWFLFQVPMGYQNT-UHFFFAOYSA-N 0 1 242.282 2.280 20 0 BEADMN CC(C)[C@H](C)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000081059534 388006345 /nfs/dbraw/zinc/00/63/45/388006345.db2.gz KSTRAOJLNORMMW-DOMZBBRYSA-N 0 1 248.370 2.269 20 0 BEADMN C[C@](NCC1=CCCC1)(C(N)=O)c1ccccc1 ZINC000645824578 388020020 /nfs/dbraw/zinc/02/00/20/388020020.db2.gz KXTRYKADXFWHBP-OAHLLOKOSA-N 0 1 244.338 2.087 20 0 BEADMN CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)[O-] ZINC000261538883 135109129 /nfs/dbraw/zinc/10/91/29/135109129.db2.gz ZRMIDMHSFAZYID-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC[C@@H](NC1CC(C)(F)C1)c1ccn(C)n1 ZINC000453243415 388022077 /nfs/dbraw/zinc/02/20/77/388022077.db2.gz XRWCWIDXDATYFE-SQLBVSGCSA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@H](NC1CC(C)(F)C1)c1ccn(C)n1 ZINC000453243417 388022500 /nfs/dbraw/zinc/02/25/00/388022500.db2.gz XRWCWIDXDATYFE-YZRBJQDESA-N 0 1 225.311 2.351 20 0 BEADMN CC[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)C(F)F ZINC000453246182 388023210 /nfs/dbraw/zinc/02/32/10/388023210.db2.gz MQEDHPQGXIWQHO-INTQDDNPSA-N 0 1 232.318 2.102 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1nccn1CC)OC ZINC000453244901 388023576 /nfs/dbraw/zinc/02/35/76/388023576.db2.gz HQBVPRXYOZTYTJ-NWDGAFQWSA-N 0 1 239.363 2.369 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](CC(=O)[O-])C(C)C ZINC000261527289 135150802 /nfs/dbraw/zinc/15/08/02/135150802.db2.gz MKHMQHRTXVBQPL-LLVKDONJSA-N 0 1 215.337 2.464 20 0 BEADMN CCC[C@H](CN[C@H](C)c1cc(C)n(C)n1)OC ZINC000453253932 388026529 /nfs/dbraw/zinc/02/65/29/388026529.db2.gz QIHSGGBTGFEPPB-VXGBXAGGSA-N 0 1 239.363 2.194 20 0 BEADMN CN(Cc1ccccc1OC1CC1)[C@H]1CCOC1 ZINC000450392146 388026639 /nfs/dbraw/zinc/02/66/39/388026639.db2.gz NXCXNXCGMWEBMZ-ZDUSSCGKSA-N 0 1 247.338 2.449 20 0 BEADMN CCC[C@@]1(COC)CCCN1Cc1cocn1 ZINC000447070723 388052099 /nfs/dbraw/zinc/05/20/99/388052099.db2.gz XPWZOICNGSHRBO-ZDUSSCGKSA-N 0 1 238.331 2.456 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)C(C)(C)OC ZINC000453359576 388058507 /nfs/dbraw/zinc/05/85/07/388058507.db2.gz QEEBRTIPHAZORU-QWRGUYRKSA-N 0 1 239.363 2.367 20 0 BEADMN Cc1cc([C@H](C)NCCC[C@@H]2CCOC2)no1 ZINC000453362832 388060005 /nfs/dbraw/zinc/06/00/05/388060005.db2.gz LFLVQCWKISWBOT-NWDGAFQWSA-N 0 1 238.331 2.450 20 0 BEADMN CCCc1ncc(CN[C@@H](C)[C@@H](C)OC)o1 ZINC000453388301 388061008 /nfs/dbraw/zinc/06/10/08/388061008.db2.gz PERPFEOXNVPEOU-VHSXEESVSA-N 0 1 226.320 2.140 20 0 BEADMN CN(CC1CCCC1)C(=O)[C@@H](N)c1ccccc1 ZINC000083929928 388066879 /nfs/dbraw/zinc/06/68/79/388066879.db2.gz JSKJNGFYAVPCJG-AWEZNQCLSA-N 0 1 246.354 2.335 20 0 BEADMN CCCc1ncc(CN[C@H](C)[C@@H](C)OC)o1 ZINC000453388287 388068059 /nfs/dbraw/zinc/06/80/59/388068059.db2.gz PERPFEOXNVPEOU-NXEZZACHSA-N 0 1 226.320 2.140 20 0 BEADMN Cc1nc([C@@H](C)NC[C@@H]2CCC[C@H]2O)cs1 ZINC000453391249 388069809 /nfs/dbraw/zinc/06/98/09/388069809.db2.gz SYAFRPXSTZLXOL-UBHAPETDSA-N 0 1 240.372 2.263 20 0 BEADMN CCN(Cc1ncnn1CCF)[C@H](C)C(C)C ZINC000440698953 388069891 /nfs/dbraw/zinc/06/98/91/388069891.db2.gz RDYSDAKGOBHDOQ-LLVKDONJSA-N 0 1 242.342 2.114 20 0 BEADMN Cc1nc(CNC2(c3ccccc3C)CC2)n[nH]1 ZINC000645980741 388114685 /nfs/dbraw/zinc/11/46/85/388114685.db2.gz GSBHNQVALAUYPB-UHFFFAOYSA-N 0 1 242.326 2.200 20 0 BEADMN CC[C@H](F)CN(CCO)Cc1ccccc1 ZINC000440700806 388071567 /nfs/dbraw/zinc/07/15/67/388071567.db2.gz HNRPEAIMHSXLKI-ZDUSSCGKSA-N 0 1 225.307 2.229 20 0 BEADMN CC[C@H](N[C@H](C)c1cc(C)oc1C)C(=O)NC ZINC000453405531 388074984 /nfs/dbraw/zinc/07/49/84/388074984.db2.gz OWIAGSZKAAYQQU-SKDRFNHKSA-N 0 1 238.331 2.072 20 0 BEADMN CC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccn(C)n1 ZINC000453418231 388078160 /nfs/dbraw/zinc/07/81/60/388078160.db2.gz VZJKLBZSXRCHLK-WOPDTQHZSA-N 0 1 237.347 2.028 20 0 BEADMN CC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccn(C)n1 ZINC000453418229 388078451 /nfs/dbraw/zinc/07/84/51/388078451.db2.gz VZJKLBZSXRCHLK-UTUOFQBUSA-N 0 1 237.347 2.028 20 0 BEADMN CCC1CN(Cc2cccc3c2OCO3)C1 ZINC000453601429 388090138 /nfs/dbraw/zinc/09/01/38/388090138.db2.gz HNOFMMMPFZZNAO-UHFFFAOYSA-N 0 1 219.284 2.257 20 0 BEADMN CCC(C)(C)OCCNCc1conc1C ZINC000453613950 388092308 /nfs/dbraw/zinc/09/23/08/388092308.db2.gz LNUMUSQWESUBKP-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1ncc[nH]1 ZINC000453618031 388093265 /nfs/dbraw/zinc/09/32/65/388093265.db2.gz UUXPWPIIOZEJPJ-JQWIXIFHSA-N 0 1 207.321 2.324 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NCc1ncc[nH]1 ZINC000453618032 388093723 /nfs/dbraw/zinc/09/37/23/388093723.db2.gz UUXPWPIIOZEJPJ-PWSUYJOCSA-N 0 1 207.321 2.324 20 0 BEADMN CCO[C@H]1C[C@H](NCc2cc[nH]n2)C12CCCC2 ZINC000085680479 388094271 /nfs/dbraw/zinc/09/42/71/388094271.db2.gz KKCKLJCBISAYFG-STQMWFEESA-N 0 1 249.358 2.237 20 0 BEADMN CCCn1ncnc1CN(C)C(C1CC1)C1CC1 ZINC000447848240 388097867 /nfs/dbraw/zinc/09/78/67/388097867.db2.gz BINZOMVXDMBTFM-UHFFFAOYSA-N 0 1 248.374 2.309 20 0 BEADMN Clc1ncccc1CN[C@@H]1CCCOC1 ZINC000163932086 388099835 /nfs/dbraw/zinc/09/98/35/388099835.db2.gz OTSOKXWHRQMYOV-SNVBAGLBSA-N 0 1 226.707 2.004 20 0 BEADMN CC[C@H](NCc1cnccc1C)c1cnn(C)c1 ZINC000453320924 388045311 /nfs/dbraw/zinc/04/53/11/388045311.db2.gz GJQJGZJESMQCLU-AWEZNQCLSA-N 0 1 244.342 2.364 20 0 BEADMN CC/C=C\CN[C@@H](c1nccn1C)C1CC1 ZINC000453327544 388048127 /nfs/dbraw/zinc/04/81/27/388048127.db2.gz STUQQVQKRIPOFD-QMAVJUDZSA-N 0 1 219.332 2.427 20 0 BEADMN COCC[C@@H](C)SCc1n[nH]c(C2CC2)n1 ZINC000447025204 388048439 /nfs/dbraw/zinc/04/84/39/388048439.db2.gz BPJKWMSWOQMCFA-MRVPVSSYSA-N 0 1 241.360 2.340 20 0 BEADMN C[C@H](NCc1ncn(C)n1)[C@@H]1CCCC[C@H]1C ZINC000449216623 388158246 /nfs/dbraw/zinc/15/82/46/388158246.db2.gz UHGVMBZZBZLURB-GRYCIOLGSA-N 0 1 236.363 2.120 20 0 BEADMN COc1nccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000449240683 388161059 /nfs/dbraw/zinc/16/10/59/388161059.db2.gz OJXQGAJGWOCEQM-NSHDSACASA-N 0 1 249.358 2.353 20 0 BEADMN CCn1nnc(C)c1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000449240940 388161278 /nfs/dbraw/zinc/16/12/78/388161278.db2.gz PZTKCQSDWYNKIT-CYBMUJFWSA-N 0 1 248.374 2.395 20 0 BEADMN C[C@H](CC(C)(C)C)NCc1nc(N(C)C)no1 ZINC000449259193 388163735 /nfs/dbraw/zinc/16/37/35/388163735.db2.gz SQBJKWYIAFDKNX-SECBINFHSA-N 0 1 240.351 2.050 20 0 BEADMN CN(CC[C@@H]1CCCO1)Cc1ccncc1F ZINC000449269024 388164407 /nfs/dbraw/zinc/16/44/07/388164407.db2.gz LFQRUQSVOMQVFC-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC[C@@H](C)[N@@H+](CC[C@H]1CCCCO1)CC(=O)[O-] ZINC000455646988 388165298 /nfs/dbraw/zinc/16/52/98/388165298.db2.gz SNWVBRMFRIBMRB-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000455641201 388165723 /nfs/dbraw/zinc/16/57/23/388165723.db2.gz JZKNMNVIQPVALZ-NSHDSACASA-N 0 1 239.340 2.230 20 0 BEADMN Cn1cccc1CNCc1cccc(O)c1 ZINC000164199738 388168830 /nfs/dbraw/zinc/16/88/30/388168830.db2.gz CHULAZGKRNNMGE-UHFFFAOYSA-N 0 1 216.284 2.021 20 0 BEADMN CC[C@@H](CO)N(C)Cc1cnc(C(C)C)s1 ZINC000449378149 388188168 /nfs/dbraw/zinc/18/81/68/388188168.db2.gz WADYYAQFELQCIX-JTQLQIEISA-N 0 1 242.388 2.469 20 0 BEADMN COc1nccnc1CN1CC[C@@H](CC2CC2)C1 ZINC000449346477 388177531 /nfs/dbraw/zinc/17/75/31/388177531.db2.gz ZSDDZZBUNGZQOX-LBPRGKRZSA-N 0 1 247.342 2.107 20 0 BEADMN CC(C)N(C/C=C\c1ccncc1)C1COC1 ZINC000449352457 388180229 /nfs/dbraw/zinc/18/02/29/388180229.db2.gz VPPXZGRMOHHCRR-ARJAWSKDSA-N 0 1 232.327 2.204 20 0 BEADMN C[C@H]1C[C@H]1CNc1cnccc1-n1cccn1 ZINC000488451033 388180473 /nfs/dbraw/zinc/18/04/73/388180473.db2.gz RMIBDGDAPAIKHT-QWRGUYRKSA-N 0 1 228.299 2.335 20 0 BEADMN C[C@@H](CC(C)(C)C)N[C@@H](C(N)=O)c1ccccn1 ZINC000449356887 388180988 /nfs/dbraw/zinc/18/09/88/388180988.db2.gz BEYFOHJVRYCZBX-CMPLNLGQSA-N 0 1 249.358 2.022 20 0 BEADMN CCOC(=O)[C@H]1CCCN1C1CC(C(C)C)C1 ZINC000488511321 388182984 /nfs/dbraw/zinc/18/29/84/388182984.db2.gz GYQMLGUZIHYUNJ-WXRRBKDZSA-N 0 1 239.359 2.449 20 0 BEADMN CC[C@H](N[C@@H](C)CCn1cccn1)C(F)F ZINC000449364772 388183708 /nfs/dbraw/zinc/18/37/08/388183708.db2.gz TVPLBLMHJCTGAL-UWVGGRQHSA-N 0 1 231.290 2.295 20 0 BEADMN CCC1(CC)CN(C[C@@H]2C[C@@H]2C)CC[S@@]1=O ZINC000488566394 388185686 /nfs/dbraw/zinc/18/56/86/388185686.db2.gz XFGQILAPCWQPAW-MKBNYLNASA-N 0 1 243.416 2.266 20 0 BEADMN CCN1CCN(Cc2ccc(C)cc2OC)CC1 ZINC000449001911 388126986 /nfs/dbraw/zinc/12/69/86/388126986.db2.gz GZZHRXDDIQCXTE-UHFFFAOYSA-N 0 1 248.370 2.141 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1nccnc1OC ZINC000449028500 388132681 /nfs/dbraw/zinc/13/26/81/388132681.db2.gz LYPPRUGZFKBQNO-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2nccnc2OC)C1 ZINC000449037426 388133872 /nfs/dbraw/zinc/13/38/72/388133872.db2.gz NCLSFICNVVTAEU-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@]1(C)CCN(Cc2nccnc2OC)C1 ZINC000449037426 388133874 /nfs/dbraw/zinc/13/38/74/388133874.db2.gz NCLSFICNVVTAEU-CYBMUJFWSA-N 0 1 235.331 2.107 20 0 BEADMN C[N@@H+](Cc1ccncc1F)[C@@H](CO)C(C)(C)C ZINC000449039278 388134295 /nfs/dbraw/zinc/13/42/95/388134295.db2.gz YYGXAGDDNKZGDP-LBPRGKRZSA-N 0 1 240.322 2.060 20 0 BEADMN CN(Cc1ccncc1F)[C@@H](CO)C(C)(C)C ZINC000449039278 388134296 /nfs/dbraw/zinc/13/42/96/388134296.db2.gz YYGXAGDDNKZGDP-LBPRGKRZSA-N 0 1 240.322 2.060 20 0 BEADMN C[C@@H]1CN(CCOCC2CC2)CC2(CCC2)O1 ZINC000646116210 388145080 /nfs/dbraw/zinc/14/50/80/388145080.db2.gz QIBLFOZHRWWFKX-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@H](C)C(C)C ZINC000449132760 388146965 /nfs/dbraw/zinc/14/69/65/388146965.db2.gz WGXZQXZEOUJBKL-GXTWGEPZSA-N 0 1 248.370 2.403 20 0 BEADMN CC(C)(C)n1cc(CNC2CC(C)(F)C2)nn1 ZINC000449377812 388187154 /nfs/dbraw/zinc/18/71/54/388187154.db2.gz UTQAVTOKODIQNB-UHFFFAOYSA-N 0 1 240.326 2.013 20 0 BEADMN FC1(F)C[C@H]2CN([C@@H]3C=CCCC3)CCN2C1 ZINC000645938200 388253047 /nfs/dbraw/zinc/25/30/47/388253047.db2.gz UYASFSSXSVTYCY-NEPJUHHUSA-N 0 1 242.313 2.120 20 0 BEADMN FCC(CF)N[C@H]1CCC[C@@H]1C1CC1 ZINC000449381033 388189123 /nfs/dbraw/zinc/18/91/23/388189123.db2.gz QFJMZKPCGHFIBM-MNOVXSKESA-N 0 1 203.276 2.462 20 0 BEADMN CCOC(=O)[C@H](C)N(C[C@@H]1C[C@@H]1C)C1CC1 ZINC000488571906 388189370 /nfs/dbraw/zinc/18/93/70/388189370.db2.gz HGTULIGOEDPZFQ-DCAQKATOSA-N 0 1 225.332 2.058 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000456325109 388194427 /nfs/dbraw/zinc/19/44/27/388194427.db2.gz VMCYWQOOJYXRIQ-QWRGUYRKSA-N 0 1 249.358 2.096 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)[C@@H](C)C(C)C ZINC000456384704 388197398 /nfs/dbraw/zinc/19/73/98/388197398.db2.gz QGZRHAUDEJEXIJ-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN CCN(Cc1cccc2[nH]ccc21)C1COC1 ZINC000449422722 388200863 /nfs/dbraw/zinc/20/08/63/388200863.db2.gz FCDFXTPJIBWFQL-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN FC(F)Cn1cc(C[N@H+]2CC[C@@H]2C2CC2)cn1 ZINC000449424056 388201525 /nfs/dbraw/zinc/20/15/25/388201525.db2.gz CGHSOHWZNFFTTI-LLVKDONJSA-N 0 1 241.285 2.133 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000489008070 388201549 /nfs/dbraw/zinc/20/15/49/388201549.db2.gz ITROWESIHNNGGH-GRYCIOLGSA-N 0 1 236.363 2.164 20 0 BEADMN CCCCCNC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489437655 388213212 /nfs/dbraw/zinc/21/32/12/388213212.db2.gz GHIJAGKDLGGWAW-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCCCCNC(=O)CN(C)[C@H]1CC1(C)C ZINC000489437655 388213214 /nfs/dbraw/zinc/21/32/14/388213214.db2.gz GHIJAGKDLGGWAW-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCCN(CCC)C(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489433324 388214132 /nfs/dbraw/zinc/21/41/32/388214132.db2.gz VOBYGGAVVQQJEM-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN(CCC)C(=O)CN(C)[C@@H]1CC1(C)C ZINC000489433324 388214133 /nfs/dbraw/zinc/21/41/33/388214133.db2.gz VOBYGGAVVQQJEM-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN COc1ncccc1CN(C)[C@@H]1CC1(C)C ZINC000489444194 388214865 /nfs/dbraw/zinc/21/48/65/388214865.db2.gz CTYFUUOTEQYUOZ-LLVKDONJSA-N 0 1 220.316 2.321 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000456671523 388214903 /nfs/dbraw/zinc/21/49/03/388214903.db2.gz XWDCMWJJJZABLM-STQMWFEESA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCN1C)C1CCCC1 ZINC000456671523 388214904 /nfs/dbraw/zinc/21/49/04/388214904.db2.gz XWDCMWJJJZABLM-STQMWFEESA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000456671517 388215040 /nfs/dbraw/zinc/21/50/40/388215040.db2.gz XWDCMWJJJZABLM-CHWSQXEVSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@H](NC(=O)[C@H]1CCCN1C)C1CCCC1 ZINC000456671517 388215043 /nfs/dbraw/zinc/21/50/43/388215043.db2.gz XWDCMWJJJZABLM-CHWSQXEVSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H]1CC[C@@H]1NCc1nn(C)cc1Cl ZINC000449481916 388215156 /nfs/dbraw/zinc/21/51/56/388215156.db2.gz WQNLZFRQLMXPPH-WPRPVWTQSA-N 0 1 227.739 2.352 20 0 BEADMN C[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC1(C)C ZINC000489507885 388219300 /nfs/dbraw/zinc/21/93/00/388219300.db2.gz DQKGTTYYVCDCTJ-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)nc2)C[C@@H]1C ZINC000449501345 388219765 /nfs/dbraw/zinc/21/97/65/388219765.db2.gz VTYMQIGNVOSTMM-SMDDNHRTSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@@H](CN1CC(=O)N[C@@H](C)C1)c1ccccc1 ZINC000449520537 388223282 /nfs/dbraw/zinc/22/32/82/388223282.db2.gz FGZONADQSVZBNX-STQMWFEESA-N 0 1 246.354 2.001 20 0 BEADMN C[C@H]1CN(CC2CCC(C)(C)CC2)CC(=O)N1 ZINC000449526036 388224348 /nfs/dbraw/zinc/22/43/48/388224348.db2.gz VBNIWSOIVKMAKA-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN c1nc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)co1 ZINC000449543447 388228413 /nfs/dbraw/zinc/22/84/13/388228413.db2.gz SUMAIIIWBWIYCM-OLZOCXBDSA-N 0 1 218.300 2.295 20 0 BEADMN CCOC1CC(N[C@H](C)c2nccn2CC)C1 ZINC000449561029 388233072 /nfs/dbraw/zinc/23/30/72/388233072.db2.gz AIXSUELMAMERAT-VOMCLLRMSA-N 0 1 237.347 2.121 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H](C)COC(C)C ZINC000449567909 388234702 /nfs/dbraw/zinc/23/47/02/388234702.db2.gz ZIEFTWBWPTXIOO-RYUDHWBXSA-N 0 1 239.363 2.367 20 0 BEADMN CC(C)OC[C@@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449569662 388235723 /nfs/dbraw/zinc/23/57/23/388235723.db2.gz HYUOSVGOCBCCKU-IJLUTSLNSA-N 0 1 237.347 2.292 20 0 BEADMN CC[C@H](C)[NH+]1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000449633168 388246220 /nfs/dbraw/zinc/24/62/20/388246220.db2.gz SQJWWKIXIXKFNA-AVGNSLFASA-N 0 1 210.365 2.059 20 0 BEADMN CCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000451664605 388288610 /nfs/dbraw/zinc/28/86/10/388288610.db2.gz ZNKPBCTZUGBWLG-GFCCVEGCSA-N 0 1 247.404 2.076 20 0 BEADMN CC[C@@H](F)CN1CC[N@@H+](CC)C[C@@H]1CC ZINC000451740945 388293012 /nfs/dbraw/zinc/29/30/12/388293012.db2.gz MXCQLJOCMHJFJP-NEPJUHHUSA-N 0 1 216.344 2.151 20 0 BEADMN CC1(C)CCN(CCCCCF)CC[S@@]1=O ZINC000451750927 388293606 /nfs/dbraw/zinc/29/36/06/388293606.db2.gz ACXUKWMDPXQWAE-INIZCTEOSA-N 0 1 249.395 2.359 20 0 BEADMN FC1(F)CCC(NCc2cocn2)CC1 ZINC000336662774 388261261 /nfs/dbraw/zinc/26/12/61/388261261.db2.gz CHDHNWJUYBOFGR-UHFFFAOYSA-N 0 1 216.231 2.342 20 0 BEADMN C[C@H]1CC[C@@H](CN(C)Cc2ccccn2)O1 ZINC000451364230 388265084 /nfs/dbraw/zinc/26/50/84/388265084.db2.gz CVAYJXXQUUQBPE-AAEUAGOBSA-N 0 1 220.316 2.081 20 0 BEADMN CCCC[C@@H](C(=O)OC)N1CCC(CF)CC1 ZINC000451387762 388268168 /nfs/dbraw/zinc/26/81/68/388268168.db2.gz FXWPUFADIKPBNX-LBPRGKRZSA-N 0 1 245.338 2.400 20 0 BEADMN CCc1nnc(CN[C@@H]2CCC23CCCC3)n1C ZINC000451453454 388274591 /nfs/dbraw/zinc/27/45/91/388274591.db2.gz GNBCAFHYNLXAEB-LLVKDONJSA-N 0 1 248.374 2.190 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C)no2)C[C@H]1C ZINC000451529724 388280034 /nfs/dbraw/zinc/28/00/34/388280034.db2.gz RPYCTQMLMLMBLI-MFKMUULPSA-N 0 1 238.331 2.230 20 0 BEADMN FCC1(NCc2cnn3ccccc23)CCC1 ZINC000573000285 388404437 /nfs/dbraw/zinc/40/44/37/388404437.db2.gz ZHFYTNFZHKHLCY-UHFFFAOYSA-N 0 1 233.290 2.316 20 0 BEADMN Cc1noc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000226984182 388356776 /nfs/dbraw/zinc/35/67/76/388356776.db2.gz HSFATVZQFUSURV-FXPVBKGRSA-N 0 1 223.320 2.292 20 0 BEADMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CC1 ZINC000646463293 388361649 /nfs/dbraw/zinc/36/16/49/388361649.db2.gz WVMDBCBGWHVELX-UHFFFAOYSA-N 0 1 243.266 2.131 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2O)C1 ZINC000235633915 388373546 /nfs/dbraw/zinc/37/35/46/388373546.db2.gz MDRWTWUVBINJNR-WCBMZHEXSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1cc(Cl)nc(CNC2CSC2)c1 ZINC000307199572 388389472 /nfs/dbraw/zinc/38/94/72/388389472.db2.gz ZZPVAOWLFXRREL-UHFFFAOYSA-N 0 1 228.748 2.248 20 0 BEADMN CS[C@H](C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000293846761 388393085 /nfs/dbraw/zinc/39/30/85/388393085.db2.gz CHPNSFPVJLKMEA-OPRDCNLKSA-N 0 1 225.361 2.230 20 0 BEADMN C[NH+](C)CCCNCc1cccc([O-])c1Cl ZINC000294004235 388394314 /nfs/dbraw/zinc/39/43/14/388394314.db2.gz GHRGQHAHQBTPLI-UHFFFAOYSA-N 0 1 242.750 2.087 20 0 BEADMN O=C(C=CC1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000492116255 388335593 /nfs/dbraw/zinc/33/55/93/388335593.db2.gz GXRCGAMPXXDENN-KRZKBDHCSA-N 0 1 245.326 2.260 20 0 BEADMN C/C=C(/C=C\C(=O)N1CCNC(C)(C)C1)CC ZINC000492118453 388335647 /nfs/dbraw/zinc/33/56/47/388335647.db2.gz MBWHOVDEXCGGKJ-KRMQVSRUSA-N 0 1 236.359 2.109 20 0 BEADMN CC/C=C/CNCc1cc(C(=O)OC)co1 ZINC000294687834 388403879 /nfs/dbraw/zinc/40/38/79/388403879.db2.gz AJYVJYNVXFGAMC-SNAWJCMRSA-N 0 1 223.272 2.122 20 0 BEADMN CC=CC=CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000492277484 388340120 /nfs/dbraw/zinc/34/01/20/388340120.db2.gz OAXHPJXXZIHTET-FSXIPVEJSA-N 0 1 248.330 2.238 20 0 BEADMN Cc1cc(C(=O)N2CC3(C2)CCCCC3)n[nH]1 ZINC000272705123 177748063 /nfs/dbraw/zinc/74/80/63/177748063.db2.gz CCUMGANVVYOHPK-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN C[C@@H]1C[C@@H](NCc2c(Cl)cnn2C)CS1 ZINC000334851941 388447356 /nfs/dbraw/zinc/44/73/56/388447356.db2.gz DHSQLDVOCBMKIS-HTQZYQBOSA-N 0 1 245.779 2.057 20 0 BEADMN CCc1nn(C)c(CC)c1CNCC1(F)CC1 ZINC000525991099 388452460 /nfs/dbraw/zinc/45/24/60/388452460.db2.gz NZIODUGXCWUPNB-UHFFFAOYSA-N 0 1 239.338 2.137 20 0 BEADMN C[C@@H]1[C@H](CO)CCN1Cc1cccc(F)c1F ZINC000335711507 388453773 /nfs/dbraw/zinc/45/37/73/388453773.db2.gz HAUUSZJNVPEKIB-KOLCDFICSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1nocc1CNCCOC1CCCC1 ZINC000339210084 388480905 /nfs/dbraw/zinc/48/09/05/388480905.db2.gz KZJGBVANOBQTIV-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1cc(F)cc(F)c1 ZINC000336093552 388456829 /nfs/dbraw/zinc/45/68/29/388456829.db2.gz JSYDBAXAWNFRSC-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CC[C@@H](C2CC2)C1 ZINC000336616687 388458454 /nfs/dbraw/zinc/45/84/54/388458454.db2.gz PSKOWBVTUMIJKG-SNVBAGLBSA-N 0 1 249.285 2.403 20 0 BEADMN CCCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082776908 256748117 /nfs/dbraw/zinc/74/81/17/256748117.db2.gz RKHSOTNHVPXLEE-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CSC2(C)C)c2nccn21 ZINC000296615088 388425421 /nfs/dbraw/zinc/42/54/21/388425421.db2.gz YSZUSVMMGIYSFB-KXUCPTDWSA-N 0 1 237.372 2.373 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000166419197 388425999 /nfs/dbraw/zinc/42/59/99/388425999.db2.gz DPZOLVROMGHXRN-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 ZINC000173644480 388426383 /nfs/dbraw/zinc/42/63/83/388426383.db2.gz LPRUITVPOSRMJV-MDZLAQPJSA-N 0 1 247.342 2.132 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000307827517 388427892 /nfs/dbraw/zinc/42/78/92/388427892.db2.gz YHTLSUOTKYSFJY-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000307827521 388427908 /nfs/dbraw/zinc/42/79/08/388427908.db2.gz YHTLSUOTKYSFJY-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)c1sccc1CN1CC[C@H](C)C1 ZINC000336888760 388430208 /nfs/dbraw/zinc/43/02/08/388430208.db2.gz FQKDAVWLLNFGRI-VIFPVBQESA-N 0 1 239.340 2.377 20 0 BEADMN COC(=O)c1sccc1CN1CC[C@@H](C)C1 ZINC000336888759 388430216 /nfs/dbraw/zinc/43/02/16/388430216.db2.gz FQKDAVWLLNFGRI-SECBINFHSA-N 0 1 239.340 2.377 20 0 BEADMN COC(C)(C)CCN1CC(C(F)(F)F)C1 ZINC000573196627 388430286 /nfs/dbraw/zinc/43/02/86/388430286.db2.gz XUPCAZBZBDHINJ-UHFFFAOYSA-N 0 1 225.254 2.296 20 0 BEADMN CCC[C@H](NCC(F)(F)CO)C1CCC1 ZINC000322292984 388430434 /nfs/dbraw/zinc/43/04/34/388430434.db2.gz RNMTVNHSVFIDMS-JTQLQIEISA-N 0 1 221.291 2.172 20 0 BEADMN COC(=O)c1cc(CN2[C@H](C)C[C@@H]2C)c(C)o1 ZINC000548424429 388537412 /nfs/dbraw/zinc/53/74/12/388537412.db2.gz HFIWQUKDNHUAKF-DTORHVGOSA-N 0 1 237.299 2.357 20 0 BEADMN CC1(C)COC[C@@H]1NCc1ncccc1Cl ZINC000528516140 388539231 /nfs/dbraw/zinc/53/92/31/388539231.db2.gz DGNFKVNSXBLUGZ-NSHDSACASA-N 0 1 240.734 2.250 20 0 BEADMN C/C(Cl)=C/CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000528515981 388540297 /nfs/dbraw/zinc/54/02/97/388540297.db2.gz IGNZQKAHGODICY-HYHWUIIZSA-N 0 1 240.738 2.474 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1ncccc1Cl ZINC000528517420 388540918 /nfs/dbraw/zinc/54/09/18/388540918.db2.gz ICLMLONEMLYLQN-ZYHUDNBSSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1ccc(CCCN2CCOCC2)cc1 ZINC000181507040 388544753 /nfs/dbraw/zinc/54/47/53/388544753.db2.gz ZZYDHRFMZJAXBN-UHFFFAOYSA-N 0 1 219.328 2.260 20 0 BEADMN CCC[N@@H+](CC)C1CCC(C(=O)[O-])CC1 ZINC000517247232 388545891 /nfs/dbraw/zinc/54/58/91/388545891.db2.gz QRAIIWWYJRQIBD-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccnc(CNC2(C(C)C)CC2)n1 ZINC000339505088 388484309 /nfs/dbraw/zinc/48/43/09/388484309.db2.gz MCTQSGXBKTURSX-UHFFFAOYSA-N 0 1 205.305 2.063 20 0 BEADMN CC(C)N(C)CC(=O)Nc1cccc2cc[nH]c21 ZINC000547816717 388488113 /nfs/dbraw/zinc/48/81/13/388488113.db2.gz RQSBRLALXJCZCO-UHFFFAOYSA-N 0 1 245.326 2.447 20 0 BEADMN CC(C)CC[C@H]1CCCN1Cc1nncn1C ZINC000135312127 388489937 /nfs/dbraw/zinc/48/99/37/388489937.db2.gz DKSVQXSGAYXBIX-GFCCVEGCSA-N 0 1 236.363 2.216 20 0 BEADMN CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)OCC ZINC000135324777 388491835 /nfs/dbraw/zinc/49/18/35/388491835.db2.gz BPKQQUVAUJMXGC-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)OCC ZINC000135324801 388491885 /nfs/dbraw/zinc/49/18/85/388491885.db2.gz BPKQQUVAUJMXGC-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cnn(C)c1 ZINC000340529189 388493022 /nfs/dbraw/zinc/49/30/22/388493022.db2.gz ITTLFSKEVVRSTL-SDDRHHMPSA-N 0 1 225.311 2.351 20 0 BEADMN CC(C)n1cc(CN[C@@H]2CC23CCCC3)nn1 ZINC000342153898 388496949 /nfs/dbraw/zinc/49/69/49/388496949.db2.gz IQVFFZPRRDVOHF-GFCCVEGCSA-N 0 1 234.347 2.281 20 0 BEADMN CCC[C@H](NCC(F)(F)CO)[C@@H]1CC1(C)C ZINC000397760809 388496980 /nfs/dbraw/zinc/49/69/80/388496980.db2.gz KZAULYTUGLAEBW-UWVGGRQHSA-N 0 1 235.318 2.418 20 0 BEADMN CCC[C@H](NCC(F)(F)CO)[C@H]1CC1(C)C ZINC000397760813 388497394 /nfs/dbraw/zinc/49/73/94/388497394.db2.gz KZAULYTUGLAEBW-ZJUUUORDSA-N 0 1 235.318 2.418 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2C[C@H](C)n3ccnc32)CS1 ZINC000397790651 388499391 /nfs/dbraw/zinc/49/93/91/388499391.db2.gz HVTVWNDCZCGOBH-VLEAKVRGSA-N 0 1 237.372 2.373 20 0 BEADMN CCC[C@H](CNCc1ccn(C(C)C)n1)OC ZINC000378762939 388501080 /nfs/dbraw/zinc/50/10/80/388501080.db2.gz WRJDDYHBGNJKSG-CYBMUJFWSA-N 0 1 239.363 2.369 20 0 BEADMN C[C@H](NCC(C)(F)F)[C@@H]1CCCOC1 ZINC000378791833 388505003 /nfs/dbraw/zinc/50/50/03/388505003.db2.gz NFFQIXMFXRGUMA-DTWKUNHWSA-N 0 1 207.264 2.046 20 0 BEADMN COCCC1CCN(Cc2cncs2)CC1 ZINC000528579272 388549327 /nfs/dbraw/zinc/54/93/27/388549327.db2.gz FUUNVKISLOPNAX-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN Cc1nc(CN[C@H](C)[C@]2(C)CCCO2)cs1 ZINC000378800025 388508473 /nfs/dbraw/zinc/50/84/73/388508473.db2.gz TZMRTZIGBIZIGW-SKDRFNHKSA-N 0 1 240.372 2.499 20 0 BEADMN CC(C)CCNC(=O)[C@H](C)N1[C@H](C)C[C@H]1C ZINC000548097986 388509516 /nfs/dbraw/zinc/50/95/16/388509516.db2.gz YAWPQGUIMXMQIU-UTUOFQBUSA-N 0 1 226.364 2.020 20 0 BEADMN Cc1cccc(CNC(=O)CN2[C@H](C)C[C@@H]2C)c1 ZINC000548096116 388511029 /nfs/dbraw/zinc/51/10/29/388511029.db2.gz HJXNYGJKOZDHET-BETUJISGSA-N 0 1 246.354 2.094 20 0 BEADMN CCOc1cccc(CN2[C@H](C)C[C@H]2C)n1 ZINC000548098155 388512772 /nfs/dbraw/zinc/51/27/72/388512772.db2.gz VHEKSSLMDMLODT-GHMZBOCLSA-N 0 1 220.316 2.463 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCOC2(C)C)c2nccn21 ZINC000345346191 388512889 /nfs/dbraw/zinc/51/28/89/388512889.db2.gz CRQNCFNYNLDJBN-OUAUKWLOSA-N 0 1 235.331 2.046 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nccc(OC)n1 ZINC000516643745 388512944 /nfs/dbraw/zinc/51/29/44/388512944.db2.gz YXDNXKPUYVYSBK-JTQLQIEISA-N 0 1 237.347 2.400 20 0 BEADMN Cc1cccc(CCN2CCO[C@H](C(C)C)C2)n1 ZINC000516766497 388516317 /nfs/dbraw/zinc/51/63/17/388516317.db2.gz XBMJZUHJJKZOTL-HNNXBMFYSA-N 0 1 248.370 2.289 20 0 BEADMN CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1CC1 ZINC000079955109 388549698 /nfs/dbraw/zinc/54/96/98/388549698.db2.gz IONULISYGHIWIM-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN C/C(Cl)=C\CN1CCC[C@H](n2cncn2)C1 ZINC000528376607 388518604 /nfs/dbraw/zinc/51/86/04/388518604.db2.gz FHJMCICSRCCVGP-INJWIWPUSA-N 0 1 240.738 2.058 20 0 BEADMN COCC1(NCc2ccnn2C2CCCC2)CC1 ZINC000516907474 388524212 /nfs/dbraw/zinc/52/42/12/388524212.db2.gz GGDOFJSGTHYSLH-UHFFFAOYSA-N 0 1 249.358 2.267 20 0 BEADMN C/C(Cl)=C/CN[C@H](C)c1cnn(C)c1 ZINC000528449615 388525925 /nfs/dbraw/zinc/52/59/25/388525925.db2.gz OVXDMJRPGKQVNP-USYJTPIQSA-N 0 1 213.712 2.213 20 0 BEADMN CC(F)(F)CNCc1[nH]nc2ccccc21 ZINC000378874550 388530571 /nfs/dbraw/zinc/53/05/71/388530571.db2.gz WXGSPQZQQUALPT-UHFFFAOYSA-N 0 1 225.242 2.308 20 0 BEADMN C[C@@H]1CN(CC2CC(C)(C)C2)C[C@H](C)[S@@]1=O ZINC000528473834 388531181 /nfs/dbraw/zinc/53/11/81/388531181.db2.gz INBONIJYPVVIRW-CULMDFNYSA-N 0 1 243.416 2.264 20 0 BEADMN C[C@@H](NC(=O)CN1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000548424454 388536992 /nfs/dbraw/zinc/53/69/92/388536992.db2.gz KOSMONAAMNZRAI-FRRDWIJNSA-N 0 1 246.354 2.347 20 0 BEADMN CCC[C@@H](C(=O)OCC)N1[C@H](C)C[C@@H]1C ZINC000548426252 388537064 /nfs/dbraw/zinc/53/70/64/388537064.db2.gz FUQBSIACIYFZJI-AXFHLTTASA-N 0 1 213.321 2.201 20 0 BEADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000550933098 388616936 /nfs/dbraw/zinc/61/69/36/388616936.db2.gz PPRZSBWLVNLCNE-QJPTWQEYSA-N 0 1 237.322 2.278 20 0 BEADMN COC(=O)c1cc(CN2C[C@@H](C)[C@@H]2C)c(C)o1 ZINC000549921747 388594495 /nfs/dbraw/zinc/59/44/95/388594495.db2.gz NZULTSYIPGNOFW-BDAKNGLRSA-N 0 1 237.299 2.215 20 0 BEADMN Cc1cc(NC(=O)c2c(O)cccc2F)ccn1 ZINC000186025749 388596969 /nfs/dbraw/zinc/59/69/69/388596969.db2.gz MIFNKGLDHGNXEB-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1C/C=C\Cl ZINC000530166203 388617642 /nfs/dbraw/zinc/61/76/42/388617642.db2.gz LZHXYGFNGPOULT-GZXOQBQISA-N 0 1 241.674 2.016 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1C/C=C\Cl ZINC000530166203 388617644 /nfs/dbraw/zinc/61/76/44/388617644.db2.gz LZHXYGFNGPOULT-GZXOQBQISA-N 0 1 241.674 2.016 20 0 BEADMN CC(C)c1nnc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000521570108 388617868 /nfs/dbraw/zinc/61/78/68/388617868.db2.gz GNGGRTXSYSANHH-VWYCJHECSA-N 0 1 235.331 2.471 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1C/C=C/Cl ZINC000530166201 388618020 /nfs/dbraw/zinc/61/80/20/388618020.db2.gz LZHXYGFNGPOULT-DTWDLQQISA-N 0 1 241.674 2.016 20 0 BEADMN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1C/C=C/Cl ZINC000530166201 388618022 /nfs/dbraw/zinc/61/80/22/388618022.db2.gz LZHXYGFNGPOULT-DTWDLQQISA-N 0 1 241.674 2.016 20 0 BEADMN O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C1CC=CC1 ZINC000530030316 388605720 /nfs/dbraw/zinc/60/57/20/388605720.db2.gz SJNLEPYHAUGYQE-AWEZNQCLSA-N 0 1 248.370 2.086 20 0 BEADMN C[C@H](CN(C)CN1CCC1=O)C1CCCCC1 ZINC000530106893 388608933 /nfs/dbraw/zinc/60/89/33/388608933.db2.gz AHEHJIWSLHJNFR-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CCC[N@H+](CC(=O)[O-])CC1CC(C)(C)C1 ZINC000530162403 388618299 /nfs/dbraw/zinc/61/82/99/388618299.db2.gz GQJSGIJOQGVXHW-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(CC(=O)Nc2cccc(F)c2)n[nH]1 ZINC000082335674 388613408 /nfs/dbraw/zinc/61/34/08/388613408.db2.gz JMEVZVKRHBEQMY-UHFFFAOYSA-N 0 1 233.246 2.038 20 0 BEADMN Cc1cc(CC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000082320970 388613617 /nfs/dbraw/zinc/61/36/17/388613617.db2.gz JZGNRQMRLUGOKZ-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN CC[C@H](C)CN1CC2CC1(c1nc(C)no1)C2 ZINC000528621178 388551868 /nfs/dbraw/zinc/55/18/68/388551868.db2.gz JASAFERFCHYPMR-FJJSSXBZSA-N 0 1 235.331 2.345 20 0 BEADMN CCCCCNC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000548754360 388557112 /nfs/dbraw/zinc/55/71/12/388557112.db2.gz ZWNOHQKKWXFCNN-SRVKXCTJSA-N 0 1 226.364 2.164 20 0 BEADMN c1cc(CNCc2cccc3[nH]ccc32)n[nH]1 ZINC000080354482 388558587 /nfs/dbraw/zinc/55/85/87/388558587.db2.gz BDZAKIVDDYUATP-UHFFFAOYSA-N 0 1 226.283 2.181 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)[C@@H]1C ZINC000361344655 388560450 /nfs/dbraw/zinc/56/04/50/388560450.db2.gz FQTYMKQFTYEQMJ-VWYCJHECSA-N 0 1 227.348 2.447 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1cccs1 ZINC000261537135 388561770 /nfs/dbraw/zinc/56/17/70/388561770.db2.gz UYOXRVDPQBWPGL-DTWKUNHWSA-N 0 1 225.313 2.358 20 0 BEADMN CC/C=C/CCN1CCO[C@@H](COCC)C1 ZINC000528723431 388562242 /nfs/dbraw/zinc/56/22/42/388562242.db2.gz JYSXUKHMSALKDH-URWSZGRFSA-N 0 1 227.348 2.080 20 0 BEADMN CO[C@H](CN[C@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000362977753 388562849 /nfs/dbraw/zinc/56/28/49/388562849.db2.gz UIMCAZJEMZMLPU-SDDRHHMPSA-N 0 1 237.347 2.150 20 0 BEADMN C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccnc(N)c1 ZINC000528774693 388570977 /nfs/dbraw/zinc/57/09/77/388570977.db2.gz VSRDLUKSQLMSMW-SECBINFHSA-N 0 1 241.285 2.114 20 0 BEADMN C[C@@H]1CC(F)(F)CCN1Cc1ccnc(N)c1 ZINC000528774693 388570979 /nfs/dbraw/zinc/57/09/79/388570979.db2.gz VSRDLUKSQLMSMW-SECBINFHSA-N 0 1 241.285 2.114 20 0 BEADMN C[C@H](O)CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775322 388571129 /nfs/dbraw/zinc/57/11/29/388571129.db2.gz XKUQWNAMTSVCIR-UWVGGRQHSA-N 0 1 221.291 2.267 20 0 BEADMN CC[C@@H]1CN(C)CCN1c1ccnc(C(C)C)n1 ZINC000549250554 388575792 /nfs/dbraw/zinc/57/57/92/388575792.db2.gz FCJZVEICBXNCHE-GFCCVEGCSA-N 0 1 248.374 2.130 20 0 BEADMN CC/C=C/CC[NH+]1CCN(CC2CC2)CC1 ZINC000184455978 388578474 /nfs/dbraw/zinc/57/84/74/388578474.db2.gz AJSDKIDVXSAHFM-ONEGZZNKSA-N 0 1 222.376 2.370 20 0 BEADMN Cc1cocc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000528846665 388578479 /nfs/dbraw/zinc/57/84/79/388578479.db2.gz RLWQGOGZMSVXMM-LLVKDONJSA-N 0 1 245.282 2.119 20 0 BEADMN CC(C)CONC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528880254 388580424 /nfs/dbraw/zinc/58/04/24/388580424.db2.gz LQGUEJVSZIZGQL-SNVBAGLBSA-N 0 1 243.347 2.284 20 0 BEADMN CC[C@@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184712546 388582260 /nfs/dbraw/zinc/58/22/60/388582260.db2.gz WXSLKBFEIGSGIG-SECBINFHSA-N 0 1 244.298 2.000 20 0 BEADMN c1ncc(CNc2ccc3nn[nH]c3c2)s1 ZINC000125145625 388668401 /nfs/dbraw/zinc/66/84/01/388668401.db2.gz VRZFOAKDBAYSTB-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN c1ncc(CNc2ccc3n[nH]nc3c2)s1 ZINC000125145625 388668404 /nfs/dbraw/zinc/66/84/04/388668404.db2.gz VRZFOAKDBAYSTB-UHFFFAOYSA-N 0 1 231.284 2.027 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCO[C@@H](C)C1 ZINC000552119984 388670589 /nfs/dbraw/zinc/67/05/89/388670589.db2.gz LKBXAYIUIBLUGT-QWRGUYRKSA-N 0 1 225.357 2.400 20 0 BEADMN C[C@H]1CSCCN1CCC(=O)OC(C)(C)C ZINC000125296887 388671069 /nfs/dbraw/zinc/67/10/69/388671069.db2.gz BLWLVBYHYDVCKJ-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN C[C@H]1CCCN(Cc2n[nH]c(C3CC3)n2)[C@H]1C ZINC000248617755 388686793 /nfs/dbraw/zinc/68/67/93/388686793.db2.gz ZLOUHUZCUGJSPB-UWVGGRQHSA-N 0 1 234.347 2.303 20 0 BEADMN CCOC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248410940 388678967 /nfs/dbraw/zinc/67/89/67/388678967.db2.gz DLGDLEOFJHEVJR-SDDRHHMPSA-N 0 1 225.332 2.060 20 0 BEADMN CC1(C)CC(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000530166570 388618739 /nfs/dbraw/zinc/61/87/39/388618739.db2.gz QYCZLFFOGLFHAP-CYBMUJFWSA-N 0 1 225.332 2.219 20 0 BEADMN CCC(=O)CCCN1CC[C@H](OC(F)F)C1 ZINC000521788145 388629647 /nfs/dbraw/zinc/62/96/47/388629647.db2.gz NMTXTNFGTYKUCL-JTQLQIEISA-N 0 1 235.274 2.059 20 0 BEADMN C[C@@H]1CCC[N@@H+](CC2(CC(=O)[O-])CC2)[C@@H]1C ZINC000083854711 388648005 /nfs/dbraw/zinc/64/80/05/388648005.db2.gz HXGXGEYKFSVKCG-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@](C)(O)C(F)(F)F)[C@H]1C ZINC000337181490 388743362 /nfs/dbraw/zinc/74/33/62/388743362.db2.gz MPSVHROHEGWRFK-VGMNWLOBSA-N 0 1 225.254 2.030 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C/C=C/Cl ZINC000227223969 388744731 /nfs/dbraw/zinc/74/47/31/388744731.db2.gz PZBOHUYMSJEYRA-WDBHPTQUSA-N 0 1 243.734 2.457 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cccnn1 ZINC000553231045 388754114 /nfs/dbraw/zinc/75/41/14/388754114.db2.gz OZCYCSUFJVJMMU-UHFFFAOYSA-N 0 1 245.330 2.134 20 0 BEADMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NCC ZINC000126589918 388698335 /nfs/dbraw/zinc/69/83/35/388698335.db2.gz NAHITZPTNCVJGF-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CCN(CC(=O)N(CC)C1CCCC1)C1CC1 ZINC000126711882 388700510 /nfs/dbraw/zinc/70/05/10/388700510.db2.gz XZJKTMZJZJOMJC-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CCC[C@]1(C)C(=O)NCC[N@H+]1[C@@H]1C=CCCC1 ZINC000248996811 388702978 /nfs/dbraw/zinc/70/29/78/388702978.db2.gz LXNYFQRAQCYDRA-TZMCWYRMSA-N 0 1 236.359 2.086 20 0 BEADMN CCC[C@]1(C)C(=O)NCCN1[C@@H]1C=CCCC1 ZINC000248996811 388702979 /nfs/dbraw/zinc/70/29/79/388702979.db2.gz LXNYFQRAQCYDRA-TZMCWYRMSA-N 0 1 236.359 2.086 20 0 BEADMN CC(C)CN(C(=O)CN1CCCCC1)C(C)C ZINC000193508104 388707325 /nfs/dbraw/zinc/70/73/25/388707325.db2.gz IDTGJESGOXAWOE-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CSC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000249275806 388714139 /nfs/dbraw/zinc/71/41/39/388714139.db2.gz LZMHKEQNIGECDR-WCQYABFASA-N 0 1 239.384 2.403 20 0 BEADMN CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000194086213 388722390 /nfs/dbraw/zinc/72/23/90/388722390.db2.gz QEXNZOKEYUNHOG-BETUJISGSA-N 0 1 240.391 2.221 20 0 BEADMN CCCN(C)Cc1nc2ccccc2[nH]1 ZINC000127562810 388727345 /nfs/dbraw/zinc/72/73/45/388727345.db2.gz DAJYAVFJALLBHR-UHFFFAOYSA-N 0 1 203.289 2.405 20 0 BEADMN Cc1noc([C@@H](C)NC[C@@H]2Cc3ccccc32)n1 ZINC000553910173 388794358 /nfs/dbraw/zinc/79/43/58/388794358.db2.gz GCHKZSFSRCBVFR-SKDRFNHKSA-N 0 1 243.310 2.369 20 0 BEADMN CC(C)C[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000128817594 388796420 /nfs/dbraw/zinc/79/64/20/388796420.db2.gz QNSUPPPDAQPTDG-SNVBAGLBSA-N 0 1 221.304 2.060 20 0 BEADMN Cc1cnc(CCN[C@@H](C)c2cscn2)nc1 ZINC000540149971 388796599 /nfs/dbraw/zinc/79/65/99/388796599.db2.gz AZSRSWGIJILLJB-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN CC(C)(O)C(C)(C)NCc1ncc(Cl)s1 ZINC000229590522 388796967 /nfs/dbraw/zinc/79/69/67/388796967.db2.gz YPQHPBFBXBCEDY-UHFFFAOYSA-N 0 1 248.779 2.436 20 0 BEADMN CC1(C)CC[C@@H](NCc2ncccn2)C1 ZINC000128969708 388807286 /nfs/dbraw/zinc/80/72/86/388807286.db2.gz RLIMXBFYJNHJCS-SNVBAGLBSA-N 0 1 205.305 2.145 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C)CC2)o1 ZINC000068837740 388810071 /nfs/dbraw/zinc/81/00/71/388810071.db2.gz ZTCFCYFSAYYEBL-SECBINFHSA-N 0 1 209.293 2.000 20 0 BEADMN Cc1ccccc1[C@H](CO)NCc1cccn1C ZINC000539527350 388762849 /nfs/dbraw/zinc/76/28/49/388762849.db2.gz MYBONEDTWXKCBJ-HNNXBMFYSA-N 0 1 244.338 2.157 20 0 BEADMN CSC(C)(C)CNCc1ncc(Cl)n1C ZINC000229101707 388779654 /nfs/dbraw/zinc/77/96/54/388779654.db2.gz BCIMPVFIIRRSSI-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1F ZINC000229260218 388782916 /nfs/dbraw/zinc/78/29/16/388782916.db2.gz BQMKDBKEMWHKRO-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN C[C@H](NCc1ccc(Cl)nc1)c1cn[nH]c1 ZINC000270153655 388790922 /nfs/dbraw/zinc/79/09/22/388790922.db2.gz DHWLJIJHLUMHTJ-QMMMGPOBSA-N 0 1 236.706 2.309 20 0 BEADMN COC[C@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000554495839 388817711 /nfs/dbraw/zinc/81/77/11/388817711.db2.gz CZNMIPVIURPFFZ-JTQLQIEISA-N 0 1 240.734 2.203 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@H]2C)cs1 ZINC000230154594 388818128 /nfs/dbraw/zinc/81/81/28/388818128.db2.gz MFDAWKOHIQJUEJ-GZMMTYOYSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1oncc1CN(C)CCc1nccs1 ZINC000129395275 388838283 /nfs/dbraw/zinc/83/82/83/388838283.db2.gz AUZICPHSQAHOQO-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN C[C@@H](CN1CC[C@H](OC(F)F)C1)C(F)(F)F ZINC000555071379 388838560 /nfs/dbraw/zinc/83/85/60/388838560.db2.gz PHEDYCHDRMKHHZ-BQBZGAKWSA-N 0 1 247.207 2.498 20 0 BEADMN O=C(Nc1cncnc1)c1cc(Cl)ccc1O ZINC000231774087 388842646 /nfs/dbraw/zinc/84/26/46/388842646.db2.gz PLIBEDZERIJCOJ-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NCC(F)(F)CO ZINC000231792451 388843050 /nfs/dbraw/zinc/84/30/50/388843050.db2.gz RDDUDENDRPEZTK-MNOVXSKESA-N 0 1 235.318 2.418 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NCC(F)(F)CO ZINC000231792458 388843092 /nfs/dbraw/zinc/84/30/92/388843092.db2.gz RDDUDENDRPEZTK-GHMZBOCLSA-N 0 1 235.318 2.418 20 0 BEADMN CC(C)C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232576341 388852589 /nfs/dbraw/zinc/85/25/89/388852589.db2.gz FCCBLQZPDBKUHR-LBPRGKRZSA-N 0 1 213.321 2.075 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000254987004 388869179 /nfs/dbraw/zinc/86/91/79/388869179.db2.gz UEGJDEKQXGTRLZ-GFVADAIESA-N 0 1 249.358 2.368 20 0 BEADMN CCN(Cc1ccnc2ccccc12)C1COC1 ZINC000556180141 388869431 /nfs/dbraw/zinc/86/94/31/388869431.db2.gz FBFVWHSCNIUNOQ-UHFFFAOYSA-N 0 1 242.322 2.456 20 0 BEADMN COCCCCCN(C)[C@@H](C)C(=O)OC(C)C ZINC000129530094 388851238 /nfs/dbraw/zinc/85/12/38/388851238.db2.gz WLNICDDFKYIRRQ-LBPRGKRZSA-N 0 1 245.363 2.075 20 0 BEADMN C/C=C(\CC)c1nc(C2(N)CCC2)no1 ZINC000564959477 388902833 /nfs/dbraw/zinc/90/28/33/388902833.db2.gz CQYBPWOEPWGPTM-FPYGCLRLSA-N 0 1 207.277 2.221 20 0 BEADMN C[C@@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000564464830 388875771 /nfs/dbraw/zinc/87/57/71/388875771.db2.gz ZMZUSNDTCMRDAO-UHIISALHSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H]1CCCN(CC(=O)c2cccn2C)CC1 ZINC000070158172 388875876 /nfs/dbraw/zinc/87/58/76/388875876.db2.gz UUORADNVCCSAFC-LBPRGKRZSA-N 0 1 234.343 2.330 20 0 BEADMN CC(C)[C@H]1N(C(=O)c2ccn[nH]2)CC12CC=CC2 ZINC000649143959 388876389 /nfs/dbraw/zinc/87/63/89/388876389.db2.gz LINFAVWUCHZEJQ-GFCCVEGCSA-N 0 1 245.326 2.227 20 0 BEADMN CCCN(CC1CC1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000565168997 388919958 /nfs/dbraw/zinc/91/99/58/388919958.db2.gz CLCQRWWAMKNXHD-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H](CN1CCn2nncc2C1)C1CCCCC1 ZINC000565169247 388920680 /nfs/dbraw/zinc/92/06/80/388920680.db2.gz DFYGBNYXOXTYMN-LBPRGKRZSA-N 0 1 248.374 2.310 20 0 BEADMN C[C@@H]1CCN(CC(=O)NCC2(C)CCCC2)C1 ZINC000565725032 388963806 /nfs/dbraw/zinc/96/38/06/388963806.db2.gz MJBQITCWRMGABY-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN COC(=O)c1cccc(CNCC2(F)CC2)c1 ZINC000565744583 388966920 /nfs/dbraw/zinc/96/69/20/388966920.db2.gz XBKWBBMYUCABAI-UHFFFAOYSA-N 0 1 237.274 2.065 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCOC(C)(C)C)C1CCC1 ZINC000565372306 388940350 /nfs/dbraw/zinc/94/03/50/388940350.db2.gz KCDPXSHEPMSHQH-JTQLQIEISA-N 0 1 243.347 2.129 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCOC(C)(C)C)C1CCC1 ZINC000565372309 388941036 /nfs/dbraw/zinc/94/10/36/388941036.db2.gz KCDPXSHEPMSHQH-SNVBAGLBSA-N 0 1 243.347 2.129 20 0 BEADMN C(c1nnc(C2CC2)o1)N1C[C@@H]2CCC[C@H]2C1 ZINC000153206173 388950048 /nfs/dbraw/zinc/95/00/48/388950048.db2.gz RPNBLPLHAUMQDZ-QWRGUYRKSA-N 0 1 233.315 2.179 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)c(C)n1 ZINC000565547384 388952719 /nfs/dbraw/zinc/95/27/19/388952719.db2.gz AOSPUCZDVHFJMU-UHFFFAOYSA-N 0 1 248.326 2.138 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC000565599853 388957447 /nfs/dbraw/zinc/95/74/47/388957447.db2.gz DYRWUXKDEIWYAQ-KWKBKKAHSA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nnc(C2CC2)o1 ZINC000565941570 388981206 /nfs/dbraw/zinc/98/12/06/388981206.db2.gz UBGAPRTVQVZDAI-KXUCPTDWSA-N 0 1 235.331 2.423 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1SC ZINC000566015461 388982427 /nfs/dbraw/zinc/98/24/27/388982427.db2.gz XOBUSGSQHDPTCF-UHFFFAOYSA-N 0 1 239.340 2.315 20 0 BEADMN Cc1cc(C)cc([C@@H](C)NCc2cnnn2C)c1 ZINC000267484632 389001315 /nfs/dbraw/zinc/00/13/15/389001315.db2.gz BFDVZAZSRVHLJA-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN Cc1cnc(C(C)(C)NC[C@H]2CCCO2)s1 ZINC000273307578 389039256 /nfs/dbraw/zinc/03/92/56/389039256.db2.gz OJGQHVLDEHFBLL-SNVBAGLBSA-N 0 1 240.372 2.455 20 0 BEADMN C(Sc1nc(C2CC2)n[nH]1)[C@H]1CCCCO1 ZINC000022887727 533374881 /nfs/dbraw/zinc/37/48/81/533374881.db2.gz DUGPZBABAVKAJW-SECBINFHSA-N 0 1 239.344 2.343 20 0 BEADMN C(Sc1n[nH]c(C2CC2)n1)[C@H]1CCCCO1 ZINC000022887727 533374886 /nfs/dbraw/zinc/37/48/86/533374886.db2.gz DUGPZBABAVKAJW-SECBINFHSA-N 0 1 239.344 2.343 20 0 BEADMN CO[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H]1OC ZINC000488020229 533470302 /nfs/dbraw/zinc/47/03/02/533470302.db2.gz BMBMOBCKIPVWTO-VUEDLFODSA-N 0 1 247.338 2.045 20 0 BEADMN C[C@H]1CCCC[C@H]1CC(=O)NCCN1CCC1 ZINC000533566802 322834594 /nfs/dbraw/zinc/83/45/94/322834594.db2.gz WUCXPSDGCLVUAV-STQMWFEESA-N 0 1 238.375 2.025 20 0 BEADMN CC(C)C1CCN(c2ccncc2C(N)=O)CC1 ZINC000302144959 132261152 /nfs/dbraw/zinc/26/11/52/132261152.db2.gz IXDGOFVLPATPHA-UHFFFAOYSA-N 0 1 247.342 2.053 20 0 BEADMN CCN(CC)CC(=O)N1CCCc2ccccc21 ZINC000046438200 132355033 /nfs/dbraw/zinc/35/50/33/132355033.db2.gz DOZPXJMLAJVLIX-UHFFFAOYSA-N 0 1 246.354 2.308 20 0 BEADMN c1ccc(N2CCN([C@H]3C=CCCC3)CC2)nc1 ZINC000066472172 132390340 /nfs/dbraw/zinc/39/03/40/132390340.db2.gz JXRYIVFACPPZKO-AWEZNQCLSA-N 0 1 243.354 2.312 20 0 BEADMN Cc1nccc(N2CC[C@H](C)[C@H](O)C2)c1Cl ZINC000309390580 132390578 /nfs/dbraw/zinc/39/05/78/132390578.db2.gz SENBWWDGLYFXKR-GZMMTYOYSA-N 0 1 240.734 2.251 20 0 BEADMN CO[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000334188704 133580348 /nfs/dbraw/zinc/58/03/48/133580348.db2.gz HHHGMIMVUJXZAO-ZDUSSCGKSA-N 0 1 220.316 2.001 20 0 BEADMN CCC1CN(Cc2cnc3ccc(C)cn23)C1 ZINC000334521331 133680956 /nfs/dbraw/zinc/68/09/56/133680956.db2.gz BRKRFTROSNHURL-UHFFFAOYSA-N 0 1 229.327 2.485 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2cnc[nH]2)CC12CCCC2 ZINC000334767964 133755901 /nfs/dbraw/zinc/75/59/01/133755901.db2.gz WEBXSFJIRHDSLC-LBPRGKRZSA-N 0 1 247.342 2.451 20 0 BEADMN Cc1ccc(CN(C)C(=O)c2cnc[nH]2)cc1C ZINC000335099182 133764680 /nfs/dbraw/zinc/76/46/80/133764680.db2.gz RMMUFJMQYJRVKH-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN NCc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)co1 ZINC000335431737 133844592 /nfs/dbraw/zinc/84/45/92/133844592.db2.gz YMCBDJSRAPXIJP-GWCFXTLKSA-N 0 1 248.326 2.143 20 0 BEADMN Cc1cnn(C)c1CN1C[C@@H](C)S[C@H](C)C1 ZINC000335745569 133889839 /nfs/dbraw/zinc/88/98/39/133889839.db2.gz XUFDBQZPVYMMOA-GHMZBOCLSA-N 0 1 239.388 2.054 20 0 BEADMN C[C@H]1C[C@H](C)N1Cc1cnc2ccccn12 ZINC000335841649 133936600 /nfs/dbraw/zinc/93/66/00/133936600.db2.gz QYHHNJVWECPKSK-QWRGUYRKSA-N 0 1 215.300 2.317 20 0 BEADMN Cc1noc(CN2CC(C)(C)[C@H]3CCC[C@H]32)n1 ZINC000335930537 134010418 /nfs/dbraw/zinc/01/04/18/134010418.db2.gz MNIHEAHYOARPLU-WDEREUQCSA-N 0 1 235.331 2.389 20 0 BEADMN Cc1noc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)n1 ZINC000335930536 134010481 /nfs/dbraw/zinc/01/04/81/134010481.db2.gz MNIHEAHYOARPLU-QWRGUYRKSA-N 0 1 235.331 2.389 20 0 BEADMN Cc1noc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 ZINC000335930535 134010487 /nfs/dbraw/zinc/01/04/87/134010487.db2.gz MNIHEAHYOARPLU-MNOVXSKESA-N 0 1 235.331 2.389 20 0 BEADMN CCc1ccc(CN2C[C@@H](C)[C@H]2C)nc1 ZINC000335930649 134010594 /nfs/dbraw/zinc/01/05/94/134010594.db2.gz JXICMHDRGPISHI-GHMZBOCLSA-N 0 1 204.317 2.484 20 0 BEADMN CCN(Cc1ccon1)[C@@H]1CCOC(C)(C)C1 ZINC000351948309 134015786 /nfs/dbraw/zinc/01/57/86/134015786.db2.gz CZFUIJRTRZRMOD-GFCCVEGCSA-N 0 1 238.331 2.454 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351956961 134016716 /nfs/dbraw/zinc/01/67/16/134016716.db2.gz DOEMALRJFDUFHX-KKFJDGPESA-N 0 1 241.281 2.338 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccccc1 ZINC000335946797 134020571 /nfs/dbraw/zinc/02/05/71/134020571.db2.gz SKGYJMCKXDEMIG-NWDGAFQWSA-N 0 1 247.342 2.243 20 0 BEADMN Cc1cccnc1CN1CCOCC2(CC2)C1 ZINC000335975462 134030904 /nfs/dbraw/zinc/03/09/04/134030904.db2.gz WQMYSGYHZSGVIY-UHFFFAOYSA-N 0 1 232.327 2.002 20 0 BEADMN Cc1cc(C(=O)N2Cc3ccccc3[C@@H]2C)n[nH]1 ZINC000335987241 134038928 /nfs/dbraw/zinc/03/89/28/134038928.db2.gz UTAMUFURCGGTRL-JTQLQIEISA-N 0 1 241.294 2.435 20 0 BEADMN Cc1cn[nH]c1CNc1ccc2c(c1)COC2 ZINC000336008376 134049810 /nfs/dbraw/zinc/04/98/10/134049810.db2.gz ZVBIQFPSMPWNPY-UHFFFAOYSA-N 0 1 229.283 2.360 20 0 BEADMN CSc1ccc(CN2CCC[C@H](O)C2)s1 ZINC000336012329 134051729 /nfs/dbraw/zinc/05/17/29/134051729.db2.gz PQEBIUUHOMFWAS-VIFPVBQESA-N 0 1 243.397 2.427 20 0 BEADMN CN(Cc1nnc[nH]1)[C@@H]1/C=C/CCCCC1 ZINC000336039879 134060971 /nfs/dbraw/zinc/06/09/71/134060971.db2.gz JYCWYVNPGHJUGO-OKPNEXGHSA-N 0 1 220.320 2.125 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cccc2n[nH]cc21 ZINC000336066555 134070824 /nfs/dbraw/zinc/07/08/24/134070824.db2.gz KQQZOHNYSSZCQH-IUCAKERBSA-N 0 1 229.283 2.186 20 0 BEADMN Cc1ncc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)[nH]1 ZINC000336075941 134073176 /nfs/dbraw/zinc/07/31/76/134073176.db2.gz CLLMBGRXXYKXQR-SNVBAGLBSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@@H]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC000336076267 134073472 /nfs/dbraw/zinc/07/34/72/134073472.db2.gz HKZCGFYDXWNYEU-ZJUUUORDSA-N 0 1 247.342 2.064 20 0 BEADMN C1CC1c1noc(C23CCCN2CCC3)n1 ZINC000336084267 134075864 /nfs/dbraw/zinc/07/58/64/134075864.db2.gz MNVWXIVKPIZLEF-UHFFFAOYSA-N 0 1 219.288 2.032 20 0 BEADMN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)ncn1 ZINC000336110043 134085695 /nfs/dbraw/zinc/08/56/95/134085695.db2.gz JAUOHVCJWHBRDV-QWRGUYRKSA-N 0 1 237.372 2.111 20 0 BEADMN CN(C)c1ccncc1C(=O)N(C)[C@H]1CC1(C)C ZINC000336110788 134086237 /nfs/dbraw/zinc/08/62/37/134086237.db2.gz NPGGJDLUUUNQNM-LBPRGKRZSA-N 0 1 247.342 2.018 20 0 BEADMN Cc1ccc([C@]2(C)CCN(CC(N)=O)C2)cc1 ZINC000336156269 134106274 /nfs/dbraw/zinc/10/62/74/134106274.db2.gz UEROJJQXJBRMMO-CQSZACIVSA-N 0 1 232.327 2.494 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)c1ccc(F)cc1O ZINC000336157964 134106773 /nfs/dbraw/zinc/10/67/73/134106773.db2.gz PVHCRCCIBIJGSE-OCAPTIKFSA-N 0 1 223.247 2.154 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2c(Cl)cnn2C)C1 ZINC000336164506 134112691 /nfs/dbraw/zinc/11/26/91/134112691.db2.gz LTGLBBCWVMMNJI-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1[nH]nc2ccccc21 ZINC000336166369 134113317 /nfs/dbraw/zinc/11/33/17/134113317.db2.gz SXGQTURFLXYETB-LBPRGKRZSA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@@H]1CC[C@H](C)N1Cc1cnns1 ZINC000336198257 134127569 /nfs/dbraw/zinc/12/75/69/134127569.db2.gz BVSCIHBJPMESIZ-DTWKUNHWSA-N 0 1 211.334 2.301 20 0 BEADMN C[C@@H]1CN(CC2CC(F)(F)C2)C[C@H](C)O1 ZINC000336196817 134127081 /nfs/dbraw/zinc/12/70/81/134127081.db2.gz ZXQUDBWCRZUSFU-DTORHVGOSA-N 0 1 219.275 2.141 20 0 BEADMN C[C@H]1CC[N@H+](C2CC(OC(C)(C)C)C2)C[C@@H]1O ZINC000336198274 134127191 /nfs/dbraw/zinc/12/71/91/134127191.db2.gz CYJZWMFADVTUPE-WTIISPKJSA-N 0 1 241.375 2.035 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cnns1 ZINC000336198257 134127568 /nfs/dbraw/zinc/12/75/68/134127568.db2.gz BVSCIHBJPMESIZ-DTWKUNHWSA-N 0 1 211.334 2.301 20 0 BEADMN C[C@H]1C[C@@H](CN2CCC=C(F)C2)CCO1 ZINC000336210660 134134118 /nfs/dbraw/zinc/13/41/18/134134118.db2.gz HDOFFPHQOMYDPJ-QWRGUYRKSA-N 0 1 213.296 2.361 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nnc2n1CCCC2 ZINC000336212554 134134451 /nfs/dbraw/zinc/13/44/51/134134451.db2.gz WTDKEFBACMXXBE-NEPJUHHUSA-N 0 1 248.374 2.235 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1cccc2ccoc21 ZINC000336213371 134135752 /nfs/dbraw/zinc/13/57/52/134135752.db2.gz PAYQNNSTACMIQA-OLZOCXBDSA-N 0 1 249.285 2.338 20 0 BEADMN c1ncc(CNCc2cnn3ccccc23)s1 ZINC000168973504 134249084 /nfs/dbraw/zinc/24/90/84/134249084.db2.gz ZBCCFVCLCUDOCM-UHFFFAOYSA-N 0 1 244.323 2.081 20 0 BEADMN Cc1nnc([C@@H](C)N2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000172960550 134271111 /nfs/dbraw/zinc/27/11/11/134271111.db2.gz KRTVDDOWBQXMJT-QNSHHTMESA-N 0 1 221.304 2.027 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000173139486 134274111 /nfs/dbraw/zinc/27/41/11/134274111.db2.gz KKMSZUYWXDZLPL-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN Cc1nnc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000176043472 134290051 /nfs/dbraw/zinc/29/00/51/134290051.db2.gz GGVGWAATHCLCGR-WCBMZHEXSA-N 0 1 209.293 2.046 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CC=CCC1 ZINC000176727216 134292593 /nfs/dbraw/zinc/29/25/93/134292593.db2.gz XRKSHBOPCGEBIN-VIFPVBQESA-N 0 1 242.282 2.253 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)c1ccsc1 ZINC000176731107 134292809 /nfs/dbraw/zinc/29/28/09/134292809.db2.gz ZEIIRGMJEKRFGI-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN C[C@@H]([C@H](C)NC(=O)CN(C)C)C1CCCCC1 ZINC000176680551 134293254 /nfs/dbraw/zinc/29/32/54/134293254.db2.gz VXPKDNDGNAWVMX-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@@H]1CCC[C@@H](CCN(C)Cc2nnc[nH]2)C1 ZINC000177103009 134295199 /nfs/dbraw/zinc/29/51/99/134295199.db2.gz LJCBYCWYQBWUJE-NEPJUHHUSA-N 0 1 236.363 2.453 20 0 BEADMN CCN1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177666194 134300809 /nfs/dbraw/zinc/30/08/09/134300809.db2.gz UCFYTIPXEUZGGC-HNNXBMFYSA-N 0 1 248.345 2.451 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1CC(=O)OC(C)(C)C ZINC000177870291 134304175 /nfs/dbraw/zinc/30/41/75/134304175.db2.gz RQZDQPZVWHPYNC-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN COC[C@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000179371427 134316419 /nfs/dbraw/zinc/31/64/19/134316419.db2.gz SXNHZZAIUUYOQB-JTQLQIEISA-N 0 1 239.363 2.174 20 0 BEADMN COC[C@@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000179371435 134316649 /nfs/dbraw/zinc/31/66/49/134316649.db2.gz SXNHZZAIUUYOQB-SNVBAGLBSA-N 0 1 239.363 2.174 20 0 BEADMN CCC[C@H]1CCCCN1Cc1nnc(C)n1C ZINC000179521374 134321197 /nfs/dbraw/zinc/32/11/97/134321197.db2.gz CEJCKTHYQCAEMJ-LBPRGKRZSA-N 0 1 236.363 2.278 20 0 BEADMN CCC[C@H]1CCCCN1CC(=O)OCC ZINC000179513200 134321447 /nfs/dbraw/zinc/32/14/47/134321447.db2.gz QFKFDDNPAWSNNK-NSHDSACASA-N 0 1 213.321 2.204 20 0 BEADMN FC(F)(F)[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000179621254 134322825 /nfs/dbraw/zinc/32/28/25/134322825.db2.gz YTPHFADQGGEKAG-MRVPVSSYSA-N 0 1 233.237 2.184 20 0 BEADMN CCc1ccc([C@H](C)NCCn2cccn2)o1 ZINC000180432692 134327292 /nfs/dbraw/zinc/32/72/92/134327292.db2.gz NJQHEOFIBUVRQV-NSHDSACASA-N 0 1 233.315 2.389 20 0 BEADMN Cc1nccc(CN[C@H](C)CC(F)(F)F)n1 ZINC000222231314 134331027 /nfs/dbraw/zinc/33/10/27/134331027.db2.gz GSORNLWIYMEAKD-SSDOTTSWSA-N 0 1 233.237 2.216 20 0 BEADMN C[C@@]1(CNCc2ncc(Cl)s2)CCCO1 ZINC000225365438 134354642 /nfs/dbraw/zinc/35/46/42/134354642.db2.gz RGCBDCKICZIMNS-JTQLQIEISA-N 0 1 246.763 2.455 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)c1cnccc1N(C)C ZINC000183617272 134355324 /nfs/dbraw/zinc/35/53/24/134355324.db2.gz KSHJKZHYXUGCOS-JTQLQIEISA-N 0 1 247.342 2.066 20 0 BEADMN Oc1cc(F)cc(CNCc2cccnc2)c1 ZINC000184134457 134359206 /nfs/dbraw/zinc/35/92/06/134359206.db2.gz JGWKSHJQOKPEFT-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN CC(C)OC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000226133624 134359517 /nfs/dbraw/zinc/35/95/17/134359517.db2.gz KZFCLERSPXAMIT-OUAUKWLOSA-N 0 1 213.321 2.199 20 0 BEADMN Cc1cccc(NCC[C@@H]2CCOC2)n1 ZINC000227003099 134373413 /nfs/dbraw/zinc/37/34/13/134373413.db2.gz UWLMMIWKLHTSHK-LLVKDONJSA-N 0 1 206.289 2.229 20 0 BEADMN Cc1nc(CNC(C)(C)C(C)(C)O)cs1 ZINC000227344314 134377942 /nfs/dbraw/zinc/37/79/42/134377942.db2.gz PPIZCUNSNQGCHE-UHFFFAOYSA-N 0 1 228.361 2.091 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nc(C)cs2)C1(C)C ZINC000227830181 134389805 /nfs/dbraw/zinc/38/98/05/134389805.db2.gz ZARQAPNTGPYULT-NXEZZACHSA-N 0 1 240.372 2.355 20 0 BEADMN CO[C@H](C)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000248425837 135007711 /nfs/dbraw/zinc/00/77/11/135007711.db2.gz ODAXJAHHSRZZIE-IPYPFGDCSA-N 0 1 249.354 2.483 20 0 BEADMN CCc1noc([C@H](C)N2CCC[C@@H]2C)n1 ZINC000076117311 135010176 /nfs/dbraw/zinc/01/01/76/135010176.db2.gz QEXJBJHWGRGIQZ-IUCAKERBSA-N 0 1 209.293 2.177 20 0 BEADMN C[C@H]1CCCN1Cc1nnc(-c2ccco2)o1 ZINC000076115401 135011008 /nfs/dbraw/zinc/01/10/08/135011008.db2.gz AXOYADQNPIDETE-VIFPVBQESA-N 0 1 233.271 2.314 20 0 BEADMN CC[C@H](NCCn1cccn1)c1nccs1 ZINC000070732910 135011095 /nfs/dbraw/zinc/01/10/95/135011095.db2.gz MSMFWKYSBGSDNP-JTQLQIEISA-N 0 1 236.344 2.081 20 0 BEADMN CCOC(=O)CCN[C@H](C)c1nc(C)cs1 ZINC000070733529 135011615 /nfs/dbraw/zinc/01/16/15/135011615.db2.gz IYBTXAUNVZMQTC-SECBINFHSA-N 0 1 242.344 2.055 20 0 BEADMN Cc1ncsc1CNCc1ccncc1 ZINC000070836482 135013959 /nfs/dbraw/zinc/01/39/59/135013959.db2.gz ULJNWUYTPKBFHQ-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000248584751 135014543 /nfs/dbraw/zinc/01/45/43/135014543.db2.gz VCTZGHKCZARPMC-YNEHKIRRSA-N 0 1 241.375 2.443 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)O2)[C@@H](C)CO1 ZINC000248578820 135015059 /nfs/dbraw/zinc/01/50/59/135015059.db2.gz QUFVOTLODVJOEJ-QJPTWQEYSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2CCC(C)(C)O2)[C@H]1C ZINC000248573616 135020242 /nfs/dbraw/zinc/02/02/42/135020242.db2.gz NTDCZVZCQUAVQQ-SDDRHHMPSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CN(C)C2CC2)[C@H]1C ZINC000249041454 135031008 /nfs/dbraw/zinc/03/10/08/135031008.db2.gz CNLLJMLFFVTVRZ-MDZLAQPJSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1C ZINC000249746622 135044288 /nfs/dbraw/zinc/04/42/88/135044288.db2.gz ZZDCODPCMMMDMM-ZYHUDNBSSA-N 0 1 236.363 2.134 20 0 BEADMN COC(=O)C(C)(C)N(C)CCC(C)(C)C ZINC000258687640 135103397 /nfs/dbraw/zinc/10/33/97/135103397.db2.gz CUMASWPLXXQUGK-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN Cc1nc(CNC[C@]2(C)CCCO2)cs1 ZINC000087233504 135114898 /nfs/dbraw/zinc/11/48/98/135114898.db2.gz NZFYPBZLKPKOPZ-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN C[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O ZINC000253106415 135122392 /nfs/dbraw/zinc/12/23/92/135122392.db2.gz BMOUDYJOSFGMMR-TVQRCGJNSA-N 0 1 241.281 2.168 20 0 BEADMN CCCN(C/C=C\c1ccccc1)CC(=O)NC ZINC000255909914 135130769 /nfs/dbraw/zinc/13/07/69/135130769.db2.gz SCUAFSGFPBDWBF-YFHOEESVSA-N 0 1 246.354 2.158 20 0 BEADMN COC(=O)C(C)(C)N(C)CCC1CCCC1 ZINC000258702218 135133486 /nfs/dbraw/zinc/13/34/86/135133486.db2.gz DVRKBWRSSQVUOJ-UHFFFAOYSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](C)[C@H](Nc1cc(C)[nH+]c(C)n1)C(=O)[O-] ZINC000257646981 135137503 /nfs/dbraw/zinc/13/75/03/135137503.db2.gz IOXGVKANRFWTCX-CPCISQLKSA-N 0 1 237.303 2.005 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000261530504 135158373 /nfs/dbraw/zinc/15/83/73/135158373.db2.gz FRMPTCFLUIQWCA-VXGBXAGGSA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000261530599 135158541 /nfs/dbraw/zinc/15/85/41/135158541.db2.gz KKDPJWOCKMCBEW-WCQYABFASA-N 0 1 227.348 2.465 20 0 BEADMN CSC[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261534247 135167132 /nfs/dbraw/zinc/16/71/32/135167132.db2.gz OWWHUZCBRHKXNX-QMMMGPOBSA-N 0 1 241.360 2.264 20 0 BEADMN CC(C)C(C[N@@H+](C)CCC(=O)[O-])C(C)C ZINC000261536084 135171508 /nfs/dbraw/zinc/17/15/08/135171508.db2.gz QHPOPJGVVHNVFO-UHFFFAOYSA-N 0 1 215.337 2.321 20 0 BEADMN CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)[O-] ZINC000261538002 135175502 /nfs/dbraw/zinc/17/55/02/135175502.db2.gz XCOZENSVAIAQJN-SECBINFHSA-N 0 1 227.329 2.086 20 0 BEADMN CS[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261538995 135176949 /nfs/dbraw/zinc/17/69/49/135176949.db2.gz BHQOZBFXXCODJA-ZETCQYMHSA-N 0 1 227.333 2.222 20 0 BEADMN CN(CCC1CC1)C(=O)[C@](C)(N)c1ccccc1 ZINC000261559177 135199941 /nfs/dbraw/zinc/19/99/41/135199941.db2.gz DNQBFLMBIAYSGG-OAHLLOKOSA-N 0 1 246.354 2.119 20 0 BEADMN C[C@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000084347319 135210277 /nfs/dbraw/zinc/21/02/77/135210277.db2.gz NYDTWRPXVCUGLT-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CC1CCCCCC1 ZINC000084330685 135211363 /nfs/dbraw/zinc/21/13/63/135211363.db2.gz ZEOBSIQHHZEFAR-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN O=C([O-])C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000261584076 135225046 /nfs/dbraw/zinc/22/50/46/135225046.db2.gz PKTKZNXDAQVXRG-UHFFFAOYSA-N 0 1 240.690 2.036 20 0 BEADMN C[C@H](c1nc(C2(N)CCCC2)no1)C(F)(F)F ZINC000261654389 135242831 /nfs/dbraw/zinc/24/28/31/135242831.db2.gz BHDJPFSEKDFMCD-ZCFIWIBFSA-N 0 1 249.236 2.463 20 0 BEADMN Clc1ccccc1Cc1noc([C@H]2CCN2)n1 ZINC000261706108 135246927 /nfs/dbraw/zinc/24/69/27/135246927.db2.gz IMYFMXRNUUGASR-SNVBAGLBSA-N 0 1 249.701 2.348 20 0 BEADMN COc1cc([C@@H](C)NCc2cncs2)ccn1 ZINC000342298229 135257528 /nfs/dbraw/zinc/25/75/28/135257528.db2.gz ROBYUKFHBHDWJE-SECBINFHSA-N 0 1 249.339 2.398 20 0 BEADMN CC1CCC(CC(=O)N2CCNC[C@H]2C)CC1 ZINC000262052528 135276022 /nfs/dbraw/zinc/27/60/22/135276022.db2.gz WILNLBNVRMFPJG-OTTFEQOBSA-N 0 1 238.375 2.023 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000262168892 135283930 /nfs/dbraw/zinc/28/39/30/135283930.db2.gz CDAUFMYBGCVQSH-CQSZACIVSA-N 0 1 247.338 2.416 20 0 BEADMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262264817 135289252 /nfs/dbraw/zinc/28/92/52/135289252.db2.gz RTXUFXZQBJDKTH-NSHDSACASA-N 0 1 233.311 2.433 20 0 BEADMN CCCO[C@H]1CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC000262204496 135289652 /nfs/dbraw/zinc/28/96/52/135289652.db2.gz HVPUGKOUPDCLHT-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN C[C@H]1C[N@@H+](CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000262318010 135292976 /nfs/dbraw/zinc/29/29/76/135292976.db2.gz RDDAZBKGGFVBEH-WCQYABFASA-N 0 1 233.311 2.197 20 0 BEADMN Cc1nc2ccc(CSc3nc[nH]n3)cc2[nH]1 ZINC000342689139 135305775 /nfs/dbraw/zinc/30/57/75/135305775.db2.gz RYLSSBWUGJVHRQ-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN CCC1CC(N[C@@H](C)c2nnc3n2CCCC3)C1 ZINC000342715604 135313463 /nfs/dbraw/zinc/31/34/63/135313463.db2.gz WGCMGSKCVBIIJY-UNXYVOJBSA-N 0 1 248.374 2.454 20 0 BEADMN CC[C@H]1CCC[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262741216 135316200 /nfs/dbraw/zinc/31/62/00/135316200.db2.gz AIQYWEUYOGVKBD-QWRGUYRKSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1F ZINC000262744434 135316682 /nfs/dbraw/zinc/31/66/82/135316682.db2.gz AXIRGZFVXNCPOA-SNVBAGLBSA-N 0 1 239.290 2.287 20 0 BEADMN CC[C@H](C)CN(C)Cc1ncc(C)n1C ZINC000342790600 135318572 /nfs/dbraw/zinc/31/85/72/135318572.db2.gz AMSWLZHTQKQVQZ-JTQLQIEISA-N 0 1 209.337 2.206 20 0 BEADMN Cc1cnc(CN2CC[C@H](C)[C@H](C)C2)n1C ZINC000342793622 135319619 /nfs/dbraw/zinc/31/96/19/135319619.db2.gz RCQQQROFHKGYBD-WDEREUQCSA-N 0 1 221.348 2.206 20 0 BEADMN Cc1cnc(CN(C)C2CCCC2)n1C ZINC000342797852 135320725 /nfs/dbraw/zinc/32/07/25/135320725.db2.gz QIOSUVDNZYSXLP-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN Cc1cnc(CN2CCC[C@H]3CCC[C@H]32)n1C ZINC000342776097 135327018 /nfs/dbraw/zinc/32/70/18/135327018.db2.gz GCKPZVUARVGEJL-CHWSQXEVSA-N 0 1 233.359 2.493 20 0 BEADMN Cc1cnc(C[N@H+]2CC[C@H]3CCC[C@H]32)o1 ZINC000334227156 135330673 /nfs/dbraw/zinc/33/06/73/135330673.db2.gz BEYGXWSVZXGFPO-GHMZBOCLSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263075903 135331163 /nfs/dbraw/zinc/33/11/63/135331163.db2.gz GLWOYPLIEBAYBR-OAHLLOKOSA-N 0 1 247.338 2.334 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263075902 135331166 /nfs/dbraw/zinc/33/11/66/135331166.db2.gz GLWOYPLIEBAYBR-HNNXBMFYSA-N 0 1 247.338 2.334 20 0 BEADMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000334273840 135331650 /nfs/dbraw/zinc/33/16/50/135331650.db2.gz ZUBNLMRZVFBBLT-PWSUYJOCSA-N 0 1 207.321 2.041 20 0 BEADMN CCC(C)(C)CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000263113068 135333613 /nfs/dbraw/zinc/33/36/13/135333613.db2.gz BUYVTQWDGSHMGX-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CC1CCCC1 ZINC000342936338 135336982 /nfs/dbraw/zinc/33/69/82/135336982.db2.gz UNTJPYASPGVRFV-JRPNMDOOSA-N 0 1 229.389 2.018 20 0 BEADMN COc1ccncc1CN1CC(C)=C[C@H](C)C1 ZINC000334286607 135340036 /nfs/dbraw/zinc/34/00/36/135340036.db2.gz HEGPJCUIHAEGJE-NSHDSACASA-N 0 1 232.327 2.488 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000263313140 135345601 /nfs/dbraw/zinc/34/56/01/135345601.db2.gz GYFOTNFGHNLPQP-WOPDTQHZSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCOc1ccccc1)C1CC1 ZINC000263323105 135346325 /nfs/dbraw/zinc/34/63/25/135346325.db2.gz JMBXRLLWVFOQFD-NSHDSACASA-N 0 1 249.310 2.003 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CCCOCC1 ZINC000334302338 135346552 /nfs/dbraw/zinc/34/65/52/135346552.db2.gz BMNLDESSUZBJSH-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN COc1ccc(C)cc1CN1CCCOCC1 ZINC000334302338 135346554 /nfs/dbraw/zinc/34/65/54/135346554.db2.gz BMNLDESSUZBJSH-UHFFFAOYSA-N 0 1 235.327 2.226 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000263349258 135348427 /nfs/dbraw/zinc/34/84/27/135348427.db2.gz OYJHKZBYUJIRCT-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN CCN1C[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C ZINC000334310337 135350790 /nfs/dbraw/zinc/35/07/90/135350790.db2.gz JBSUAPOEXASMFG-OLZOCXBDSA-N 0 1 246.354 2.241 20 0 BEADMN CC(C)[C@@H](C[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000263393818 135351035 /nfs/dbraw/zinc/35/10/35/135351035.db2.gz FZEZPQGIIFXBCB-CYBMUJFWSA-N 0 1 235.327 2.443 20 0 BEADMN c1nn2ccccc2c1C[N@H+]1CCC12CCC2 ZINC000334313119 135351853 /nfs/dbraw/zinc/35/18/53/135351853.db2.gz LMANFYUYHDSCSW-UHFFFAOYSA-N 0 1 227.311 2.463 20 0 BEADMN O=C(c1cnc(C2CC2)[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000334320701 135352271 /nfs/dbraw/zinc/35/22/71/135352271.db2.gz HHZZPVRVJFJWLE-LLVKDONJSA-N 0 1 245.326 2.159 20 0 BEADMN C[C@H](CCc1ccccc1)C[N@@H+](C)CC(=O)[O-] ZINC000263422414 135352627 /nfs/dbraw/zinc/35/26/27/135352627.db2.gz PHTKOAKUIYLLAS-GFCCVEGCSA-N 0 1 235.327 2.272 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2ccoc21 ZINC000263441214 135354705 /nfs/dbraw/zinc/35/47/05/135354705.db2.gz WMCOINLSMLPQJH-SECBINFHSA-N 0 1 233.267 2.338 20 0 BEADMN CC[C@@H](C[N@@H+](C)CC(=O)[O-])c1ccccc1 ZINC000263442231 135354888 /nfs/dbraw/zinc/35/48/88/135354888.db2.gz WWWFEABRRNIGCF-NSHDSACASA-N 0 1 221.300 2.197 20 0 BEADMN C[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263448000 135355090 /nfs/dbraw/zinc/35/50/90/135355090.db2.gz YMZMEBOFUXFUPP-NEPJUHHUSA-N 0 1 235.327 2.270 20 0 BEADMN C[C@H](C(=O)[O-])N(C)c1cc[nH+]c2ccsc21 ZINC000263500416 135357483 /nfs/dbraw/zinc/35/74/83/135357483.db2.gz KPXKLGRBIFWCEL-SSDOTTSWSA-N 0 1 236.296 2.206 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263528506 135357916 /nfs/dbraw/zinc/35/79/16/135357916.db2.gz VHKLKHNIYRWKOH-VEGXAWMVSA-N 0 1 237.343 2.360 20 0 BEADMN CCCN(CC1CC1)C(=O)CN(CC)C1CC1 ZINC000343156222 135362689 /nfs/dbraw/zinc/36/26/89/135362689.db2.gz FOZLJAGOKGCJLR-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc(C)c1F ZINC000343161741 135363912 /nfs/dbraw/zinc/36/39/12/135363912.db2.gz PQOOVXKSFAZTJV-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC[C@H]1CCCN(Cc2nccc(C)n2)C1 ZINC000334348270 135366893 /nfs/dbraw/zinc/36/68/93/135366893.db2.gz YNSRCAQHDNEMFS-LBPRGKRZSA-N 0 1 219.332 2.407 20 0 BEADMN CC(C)n1nccc1CN1[C@H](C)C[C@@H]1C ZINC000334348328 135368281 /nfs/dbraw/zinc/36/82/81/135368281.db2.gz YOOYNXKOPFLADK-PHIMTYICSA-N 0 1 207.321 2.447 20 0 BEADMN CC(C)[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000334376658 135376638 /nfs/dbraw/zinc/37/66/38/135376638.db2.gz FIBCHQFIWMROCD-LBPRGKRZSA-N 0 1 221.348 2.288 20 0 BEADMN c1nc(CCNc2nc3ccccc3s2)n[nH]1 ZINC000080590487 135383512 /nfs/dbraw/zinc/38/35/12/135383512.db2.gz NYRKJYPJHICGFB-UHFFFAOYSA-N 0 1 245.311 2.069 20 0 BEADMN Cn1nccc1CNc1cc2c(cn1)CCCC2 ZINC000334391107 135386276 /nfs/dbraw/zinc/38/62/76/135386276.db2.gz UPFISRJMCDLSGE-UHFFFAOYSA-N 0 1 242.326 2.306 20 0 BEADMN Cc1nnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)n1C ZINC000334412176 135396552 /nfs/dbraw/zinc/39/65/52/135396552.db2.gz NNQLTDVCIKYIJC-VXGBXAGGSA-N 0 1 248.374 2.134 20 0 BEADMN Cc1cc(F)cc2c1CN(Cc1cnc[nH]1)CC2 ZINC000334419698 135399321 /nfs/dbraw/zinc/39/93/21/135399321.db2.gz ZKRBSSRRYSNFAO-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccn(C)n1 ZINC000348173813 135483273 /nfs/dbraw/zinc/48/32/73/135483273.db2.gz WOLSGGXDLNCWOL-NRPADANISA-N 0 1 229.274 2.114 20 0 BEADMN CC(C)(CF)NC(=O)c1cccc2nc[nH]c21 ZINC000334888863 135835179 /nfs/dbraw/zinc/83/51/79/135835179.db2.gz GYZFAYSSKAFIAX-UHFFFAOYSA-N 0 1 235.262 2.041 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H](C2CCCC2)C1 ZINC000335040615 135871492 /nfs/dbraw/zinc/87/14/92/135871492.db2.gz YHHPXMDLFRNFCP-NSHDSACASA-N 0 1 233.315 2.062 20 0 BEADMN CC(C)(C)C[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000335078216 135889245 /nfs/dbraw/zinc/88/92/45/135889245.db2.gz LNGRSBOKERMRAS-SNVBAGLBSA-N 0 1 235.331 2.308 20 0 BEADMN C[C@@H]1N(CCc2cccnc2)CCOC1(C)C ZINC000335295914 136006213 /nfs/dbraw/zinc/00/62/13/136006213.db2.gz FLPJFYRRGZKSDV-LBPRGKRZSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cn(C(C)C)nn1 ZINC000347865257 136016413 /nfs/dbraw/zinc/01/64/13/136016413.db2.gz ZLWUWPJHHMYMHD-DGCLKSJQSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1cn(C(C)C)nn1 ZINC000347865256 136016481 /nfs/dbraw/zinc/01/64/81/136016481.db2.gz ZLWUWPJHHMYMHD-AAEUAGOBSA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@H](NC(=O)c1[nH]nc(C)c1C)C(F)(F)F ZINC000348069573 136026220 /nfs/dbraw/zinc/02/62/20/136026220.db2.gz KHJCUCVEWASTHY-ZETCQYMHSA-N 0 1 249.236 2.097 20 0 BEADMN Cc1nccc(N2CC[C@H](C(N)=O)C2)c1Cl ZINC000335309505 136028870 /nfs/dbraw/zinc/02/88/70/136028870.db2.gz WIFQUHFOFMAYJA-QMMMGPOBSA-N 0 1 239.706 2.405 20 0 BEADMN C[C@H]1CN(C)CC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000335311732 136030129 /nfs/dbraw/zinc/03/01/29/136030129.db2.gz VPQFVMXWULQMOE-NWDGAFQWSA-N 0 1 246.345 2.448 20 0 BEADMN Cc1sccc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000335311967 136030159 /nfs/dbraw/zinc/03/01/59/136030159.db2.gz XHNUPCQKXJVYEM-LDYMZIIASA-N 0 1 211.330 2.012 20 0 BEADMN CCCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CC1 ZINC000335314528 136031974 /nfs/dbraw/zinc/03/19/74/136031974.db2.gz DCPXQTSQHXTRKX-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)n1nccc1CN[C@@H]1C[C@H]1C(F)F ZINC000348121221 136032808 /nfs/dbraw/zinc/03/28/08/136032808.db2.gz SSECRRWXHOYSSR-NXEZZACHSA-N 0 1 229.274 2.207 20 0 BEADMN C[C@@H]1CC[C@H](CN2CCC[C@@H]2c2cc[nH]n2)O1 ZINC000348155045 136040892 /nfs/dbraw/zinc/04/08/92/136040892.db2.gz XRVFQKFSEVPEKF-NQBHXWOUSA-N 0 1 235.331 2.114 20 0 BEADMN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccn(C)n1 ZINC000348173815 136042483 /nfs/dbraw/zinc/04/24/83/136042483.db2.gz WOLSGGXDLNCWOL-WEDXCCLWSA-N 0 1 229.274 2.114 20 0 BEADMN CCn1ccnc1CN1CCCC12CCC2 ZINC000335337166 136044561 /nfs/dbraw/zinc/04/45/61/136044561.db2.gz RYANKSITZARLQX-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1ncccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000335338987 136045344 /nfs/dbraw/zinc/04/53/44/136045344.db2.gz LKPXUIOJEQURCJ-GHMZBOCLSA-N 0 1 247.342 2.201 20 0 BEADMN OC[C@H]1C=C[C@H](NCc2ccsc2Cl)C1 ZINC000348214756 136046150 /nfs/dbraw/zinc/04/61/50/136046150.db2.gz AKKOZOABJOENSL-WPRPVWTQSA-N 0 1 243.759 2.428 20 0 BEADMN Cc1ccc(F)c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000335333941 136055082 /nfs/dbraw/zinc/05/50/82/136055082.db2.gz QCLSXMNTOZAILS-CYBMUJFWSA-N 0 1 235.302 2.091 20 0 BEADMN CC(C)C[C@@H](C)CN1CCOC[C@]12CCOC2 ZINC000348283654 136059839 /nfs/dbraw/zinc/05/98/39/136059839.db2.gz DIBRHZXXICEQJZ-ZIAGYGMSSA-N 0 1 241.375 2.160 20 0 BEADMN CC(C)C[C@H](C)CN1CCOC[C@]12CCOC2 ZINC000348283653 136059867 /nfs/dbraw/zinc/05/98/67/136059867.db2.gz DIBRHZXXICEQJZ-UONOGXRCSA-N 0 1 241.375 2.160 20 0 BEADMN CCN(Cc1cn(C(C)C)nn1)CC1CCC1 ZINC000348363724 136073380 /nfs/dbraw/zinc/07/33/80/136073380.db2.gz XCBCTRCAPQATIQ-UHFFFAOYSA-N 0 1 236.363 2.481 20 0 BEADMN CCCc1noc(CN2CC[C@H](C3CC3)C2)n1 ZINC000367036512 136080375 /nfs/dbraw/zinc/08/03/75/136080375.db2.gz HHEDAYSUAVLBLV-NSHDSACASA-N 0 1 235.331 2.254 20 0 BEADMN Cc1cnc(CCN2CC[C@@H](F)C2)c(C)c1 ZINC000335366963 136082208 /nfs/dbraw/zinc/08/22/08/136082208.db2.gz PIKSSIONFIMYPR-GFCCVEGCSA-N 0 1 222.307 2.285 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1=CCCCC1 ZINC000335371498 136083532 /nfs/dbraw/zinc/08/35/32/136083532.db2.gz JGXNPRLLGZESFL-NWDGAFQWSA-N 0 1 236.359 2.038 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000335380018 136086743 /nfs/dbraw/zinc/08/67/43/136086743.db2.gz XASVXZIBQLGHHH-JTQLQIEISA-N 0 1 229.283 2.091 20 0 BEADMN CC1(C(N)=O)CN(Cc2cccs2)C1 ZINC000335395656 136092741 /nfs/dbraw/zinc/09/27/41/136092741.db2.gz DEEXERVCZXSKBQ-UHFFFAOYSA-N 0 1 210.302 2.105 20 0 BEADMN O=C(NC1(CF)CCC1)c1n[nH]c2ccccc21 ZINC000335556328 136099531 /nfs/dbraw/zinc/09/95/31/136099531.db2.gz AZAGFYUIYNNVTE-UHFFFAOYSA-N 0 1 247.273 2.185 20 0 BEADMN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)n(C)n1 ZINC000335598195 136101076 /nfs/dbraw/zinc/10/10/76/136101076.db2.gz ZIQWGGVPGHQASL-CQSZACIVSA-N 0 1 245.370 2.493 20 0 BEADMN C[C@H](O)CCN1CCc2cccc(Cl)c2C1 ZINC000335586237 136102156 /nfs/dbraw/zinc/10/21/56/136102156.db2.gz CPAZEHYLZWFKRW-JTQLQIEISA-N 0 1 239.746 2.469 20 0 BEADMN Cc1cccc2c1ccnc2N1CCN(C)CC1 ZINC000335596281 136104953 /nfs/dbraw/zinc/10/49/53/136104953.db2.gz IEWJYYCQKJNSFA-UHFFFAOYSA-N 0 1 241.338 2.295 20 0 BEADMN Cc1ccc([C@H](N)C(=O)N(C)[C@@H]2CC2(C)C)cc1 ZINC000335562671 136106555 /nfs/dbraw/zinc/10/65/55/136106555.db2.gz KDDZASUTHULJKG-OLZOCXBDSA-N 0 1 246.354 2.252 20 0 BEADMN C[C@H]1CCN(Cc2cnns2)C[C@H]1C ZINC000335569755 136108831 /nfs/dbraw/zinc/10/88/31/136108831.db2.gz FCEUOEUCDVOGNM-DTWKUNHWSA-N 0 1 211.334 2.016 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cnns1 ZINC000335569889 136109366 /nfs/dbraw/zinc/10/93/66/136109366.db2.gz LPMDFWOHIOURPJ-DTWKUNHWSA-N 0 1 211.334 2.159 20 0 BEADMN c1nnsc1CN1CCC[C@@H]1C1CCC1 ZINC000335570598 136109403 /nfs/dbraw/zinc/10/94/03/136109403.db2.gz PPSPSJVZVAAXDR-LLVKDONJSA-N 0 1 223.345 2.303 20 0 BEADMN CC[C@@H]1CCCCN1Cc1cnns1 ZINC000335570744 136109517 /nfs/dbraw/zinc/10/95/17/136109517.db2.gz YQEXUTAQMXTFHK-SECBINFHSA-N 0 1 211.334 2.303 20 0 BEADMN C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@H](C)C1 ZINC000348670658 136112891 /nfs/dbraw/zinc/11/28/91/136112891.db2.gz JKWOGWRWGAMKKX-CHWSQXEVSA-N 0 1 241.375 2.160 20 0 BEADMN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)n(C)n1 ZINC000335598194 136112956 /nfs/dbraw/zinc/11/29/56/136112956.db2.gz ZIQWGGVPGHQASL-AWEZNQCLSA-N 0 1 245.370 2.493 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CCCCOC ZINC001646246593 1172724001 /nfs/dbraw/zinc/72/40/01/1172724001.db2.gz DQRWOKXZXVBDTG-LBPRGKRZSA-N 0 1 245.363 2.077 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CCCCOC ZINC001646246592 1172724122 /nfs/dbraw/zinc/72/41/22/1172724122.db2.gz DQRWOKXZXVBDTG-GFCCVEGCSA-N 0 1 245.363 2.077 20 0 BEADMN CCc1ncc(CNC(=O)CCCC2CC2)[nH]1 ZINC001646324720 1172731418 /nfs/dbraw/zinc/73/14/18/1172731418.db2.gz DTAYVTLUXKEPNI-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CC[C@@](C)(NC[C@@H](C)OC)c1nccs1 ZINC000182341383 171175955 /nfs/dbraw/zinc/17/59/55/171175955.db2.gz IUGGBQCNQGKKFQ-MWLCHTKSSA-N 0 1 228.361 2.393 20 0 BEADMN C[C@H](CN1CCn2nccc2C1)C(C)(C)C ZINC001647856352 1172772705 /nfs/dbraw/zinc/77/27/05/1172772705.db2.gz GITVMIKGENQODW-LLVKDONJSA-N 0 1 221.348 2.381 20 0 BEADMN CCC(CC)(CC)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000644087165 397754890 /nfs/dbraw/zinc/75/48/90/397754890.db2.gz GLWGDJKNDUYKHX-TXEJJXNPSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)C1CCCC1 ZINC000644087148 397754920 /nfs/dbraw/zinc/75/49/20/397754920.db2.gz SIEAWAMQIFGZJL-IJLUTSLNSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(c2ncnc3[nH]cnc32)C1 ZINC000649537635 397930145 /nfs/dbraw/zinc/93/01/45/397930145.db2.gz FCZXWOQSQQCBLZ-VHSXEESVSA-N 0 1 245.330 2.368 20 0 BEADMN COc1cccc2c1CN([C@@H]1CCCOC1)CC2 ZINC000650109522 397932359 /nfs/dbraw/zinc/93/23/59/397932359.db2.gz DUSULKRRDPHVCE-CYBMUJFWSA-N 0 1 247.338 2.232 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cc3n(n2)CCCC3)C1 ZINC000649539548 397932924 /nfs/dbraw/zinc/93/29/24/397932924.db2.gz ZDBGCOWMQRCUKK-NEPJUHHUSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H]1CCCN(Cc2cc3n(n2)CCC3)[C@H]1C ZINC000649540572 397933015 /nfs/dbraw/zinc/93/30/15/397933015.db2.gz ZZLMQZZLCZGWEA-RYUDHWBXSA-N 0 1 233.359 2.450 20 0 BEADMN Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000554709943 397965562 /nfs/dbraw/zinc/96/55/62/397965562.db2.gz PWHLJCOTNWSQSU-AWEZNQCLSA-N 0 1 247.338 2.334 20 0 BEADMN CCC(CC)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650145416 397943097 /nfs/dbraw/zinc/94/30/97/397943097.db2.gz KRYTYKBVKKSVCA-WOPDTQHZSA-N 0 1 240.391 2.362 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)c1cc(C)[nH]n1 ZINC000271388228 397966504 /nfs/dbraw/zinc/96/65/04/397966504.db2.gz GWEHZCHSSOOXQN-UWVGGRQHSA-N 0 1 221.304 2.121 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CC1CCC1 ZINC000650152560 397945769 /nfs/dbraw/zinc/94/57/69/397945769.db2.gz GUMXAUZAZGDVDE-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CC1(C)CCC[C@]1(O)CNCc1nccs1 ZINC000382401850 397947155 /nfs/dbraw/zinc/94/71/55/397947155.db2.gz QKMILLIUBPPAPC-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN Cc1ccc([C@@H]2CCCN2[C@@H](C)C(N)=O)s1 ZINC000359060886 397947506 /nfs/dbraw/zinc/94/75/06/397947506.db2.gz ATVYNBMBDXEOPB-UWVGGRQHSA-N 0 1 238.356 2.067 20 0 BEADMN Cc1ccc([C@H]2CCCN2[C@H](C)C(N)=O)s1 ZINC000359060879 397947718 /nfs/dbraw/zinc/94/77/18/397947718.db2.gz ATVYNBMBDXEOPB-NXEZZACHSA-N 0 1 238.356 2.067 20 0 BEADMN CO[C@]1(C)C[C@@H](NCc2cc(C)on2)C1(C)C ZINC000446955140 397949792 /nfs/dbraw/zinc/94/97/92/397949792.db2.gz XQNUARCGGLERAI-DGCLKSJQSA-N 0 1 238.331 2.276 20 0 BEADMN COc1nccnc1CN1CCC[C@@H](C(C)C)C1 ZINC000449264805 397953724 /nfs/dbraw/zinc/95/37/24/397953724.db2.gz NQESNOWZNAIAMD-GFCCVEGCSA-N 0 1 249.358 2.353 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000192245098 397892437 /nfs/dbraw/zinc/89/24/37/397892437.db2.gz LZHGNYVGEQIVJE-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN CC[C@@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000192243161 397892529 /nfs/dbraw/zinc/89/25/29/397892529.db2.gz HNQNHFLVWJRTNV-CYBMUJFWSA-N 0 1 239.746 2.469 20 0 BEADMN CSc1ccc(CN2CC[C@@H](O)C2)s1 ZINC000336561948 397909206 /nfs/dbraw/zinc/90/92/06/397909206.db2.gz YXSNNNMKAGLEHZ-MRVPVSSYSA-N 0 1 229.370 2.037 20 0 BEADMN CC(=O)c1cccc(CN(C)CC[C@H](C)O)c1 ZINC000450442648 397963808 /nfs/dbraw/zinc/96/38/08/397963808.db2.gz SYKAZJOGDRHHTL-NSHDSACASA-N 0 1 235.327 2.092 20 0 BEADMN CSC1(c2nc([C@H](N)CC(C)C)no2)CC1 ZINC000414625877 397996847 /nfs/dbraw/zinc/99/68/47/397996847.db2.gz XEGHWHDCYJMGRN-MRVPVSSYSA-N 0 1 241.360 2.468 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)c1cnc[nH]1 ZINC000273372367 397997049 /nfs/dbraw/zinc/99/70/49/397997049.db2.gz FKRNHNSMNKZADO-JTQLQIEISA-N 0 1 221.304 2.205 20 0 BEADMN Cc1ccc(CN(C)CCc2cnccn2)o1 ZINC000273691485 398000699 /nfs/dbraw/zinc/00/06/99/398000699.db2.gz BNLYZRITRKPNSQ-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)NCCC(C)(C)C ZINC000555328530 398004559 /nfs/dbraw/zinc/00/45/59/398004559.db2.gz JRKUMEKJHCLSOX-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CN(Cc1cc2n(n1)CCC2)C(C)(C)C ZINC000649636141 398016980 /nfs/dbraw/zinc/01/69/80/398016980.db2.gz MHGGVWMNOHGKDH-UHFFFAOYSA-N 0 1 207.321 2.060 20 0 BEADMN CCc1ccccc1CN1CCOC[C@H]1C ZINC000275492217 398021860 /nfs/dbraw/zinc/02/18/60/398021860.db2.gz PLEIEIPREPBDRF-GFCCVEGCSA-N 0 1 219.328 2.470 20 0 BEADMN CCn1ccnc1CN1CCC12CCCC2 ZINC000649656226 398024264 /nfs/dbraw/zinc/02/42/64/398024264.db2.gz DTQRBACOLGPRGF-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN Cc1ncc(CN2CCC23CCCC3)cn1 ZINC000649657752 398025692 /nfs/dbraw/zinc/02/56/92/398025692.db2.gz LNKSOYRFWOCSLI-UHFFFAOYSA-N 0 1 217.316 2.304 20 0 BEADMN C[C@@H](c1ccncc1)N(C)Cc1ccc(N)nc1 ZINC000383803465 398036626 /nfs/dbraw/zinc/03/66/26/398036626.db2.gz JCVIKZUXQRNOHN-NSHDSACASA-N 0 1 242.326 2.082 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000383811580 398037572 /nfs/dbraw/zinc/03/75/72/398037572.db2.gz AOODKQXVRWKBQL-RYUDHWBXSA-N 0 1 223.316 2.139 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2n(n1)CCC2 ZINC000649588111 397971729 /nfs/dbraw/zinc/97/17/29/397971729.db2.gz BMNRMQFYWFSXTG-SMDDNHRTSA-N 0 1 233.359 2.450 20 0 BEADMN CCc1nnc(SCCC2(OC)CCC2)[nH]1 ZINC000555004778 397987770 /nfs/dbraw/zinc/98/77/70/397987770.db2.gz WELVGKXOCFCCPM-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN CCc1n[nH]c(SCCC2(OC)CCC2)n1 ZINC000555004778 397987773 /nfs/dbraw/zinc/98/77/73/397987773.db2.gz WELVGKXOCFCCPM-UHFFFAOYSA-N 0 1 241.360 2.418 20 0 BEADMN CC[C@H](O)CN1CC(C)(CC(F)(F)F)C1 ZINC000453047315 397988095 /nfs/dbraw/zinc/98/80/95/397988095.db2.gz ZMZOKBQZKWWGLA-QMMMGPOBSA-N 0 1 225.254 2.032 20 0 BEADMN CC[C@@H]1CN(CCOC2CCC2)[C@H](CC)CO1 ZINC000649718267 398060352 /nfs/dbraw/zinc/06/03/52/398060352.db2.gz WOAAKGQQJZPJNT-CHWSQXEVSA-N 0 1 241.375 2.445 20 0 BEADMN CC1=C(c2nc([C@H]3CCCN3)no2)CCC1 ZINC000647148307 398092866 /nfs/dbraw/zinc/09/28/66/398092866.db2.gz LOIBQLNPRMJAHZ-SNVBAGLBSA-N 0 1 219.288 2.452 20 0 BEADMN CC[C@H]1CN(CCOC(C)(C)C)[C@@H](C)CO1 ZINC000649731762 398070842 /nfs/dbraw/zinc/07/08/42/398070842.db2.gz MLNUMUDPWNXRAB-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H]1CN(CCc2cccnc2)[C@@H](C)CO1 ZINC000649735032 398075859 /nfs/dbraw/zinc/07/58/59/398075859.db2.gz DWANDDSHQVSTQN-JSGCOSHPSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CN(C[C@H](O)CCC(C)C)[C@H](C)CO1 ZINC000649736427 398077677 /nfs/dbraw/zinc/07/76/77/398077677.db2.gz AJNWDHWYIODZCH-MGPQQGTHSA-N 0 1 243.391 2.283 20 0 BEADMN CCN(Cc1cncc(F)c1)[C@@H]1CCCOC1 ZINC000649755063 398085390 /nfs/dbraw/zinc/08/53/90/398085390.db2.gz DEQVNSNEOZFXSD-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN c1onc(C2CC2)c1-c1nc([C@H]2CCCN2)no1 ZINC000647145380 398087175 /nfs/dbraw/zinc/08/71/75/398087175.db2.gz UPFPMBYPBZKGFN-SECBINFHSA-N 0 1 246.270 2.027 20 0 BEADMN Cc1nc(CN(C)C2(CO)CCC2)sc1C ZINC000292097939 398101277 /nfs/dbraw/zinc/10/12/77/398101277.db2.gz HMIFTYHZDOQWFH-UHFFFAOYSA-N 0 1 240.372 2.107 20 0 BEADMN CCNCc1cn(C[C@H](C)c2ccccc2)nn1 ZINC000384753796 398105058 /nfs/dbraw/zinc/10/50/58/398105058.db2.gz NDUKBSNOSJEYEB-LBPRGKRZSA-N 0 1 244.342 2.191 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+]C2(C3CCC3)CC2)n1 ZINC000649810783 398117908 /nfs/dbraw/zinc/11/79/08/398117908.db2.gz ZCCNSTGPONZDCS-UHFFFAOYSA-N 0 1 247.342 2.167 20 0 BEADMN Cc1nnc(CNC2(C3CCC3)CC2)n1C1CC1 ZINC000649808160 398112645 /nfs/dbraw/zinc/11/26/45/398112645.db2.gz UFBNQOYESCDVPI-UHFFFAOYSA-N 0 1 246.358 2.344 20 0 BEADMN C[C@H]1CN(CCOC(C)(C)C)C2(CCC2)CO1 ZINC000649822518 398124535 /nfs/dbraw/zinc/12/45/35/398124535.db2.gz IZYLYYVMLZBQTF-LBPRGKRZSA-N 0 1 241.375 2.445 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C2(CCC2)CO1 ZINC000649823827 398126077 /nfs/dbraw/zinc/12/60/77/398126077.db2.gz OPFWSRMLNURTLC-STQMWFEESA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1C[N@@H+](CCOCC2CC2)C2(CCC2)CO1 ZINC000649823951 398126641 /nfs/dbraw/zinc/12/66/41/398126641.db2.gz ROKOVXHUWJUWSL-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1CN(CCOCC2CC2)C2(CCC2)CO1 ZINC000649823951 398126642 /nfs/dbraw/zinc/12/66/42/398126642.db2.gz ROKOVXHUWJUWSL-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CC(C)OCCN1C[C@@H](C)OCC12CCC2 ZINC000649823002 398127054 /nfs/dbraw/zinc/12/70/54/398127054.db2.gz VXRIADUSVSUKAU-GFCCVEGCSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@H]1CN(CCOC2CCC2)C2(CCC2)CO1 ZINC000649821800 398123379 /nfs/dbraw/zinc/12/33/79/398123379.db2.gz QQOMOZYSTJZSLT-LBPRGKRZSA-N 0 1 239.359 2.199 20 0 BEADMN COCCN[C@@H](C)c1c(F)cccc1F ZINC000019881350 174337622 /nfs/dbraw/zinc/33/76/22/174337622.db2.gz VRTXREBRCCBJIR-QMMMGPOBSA-N 0 1 215.243 2.262 20 0 BEADMN CC(C)N[C@H]1COc2cc(F)cc(F)c21 ZINC000054931996 167142303 /nfs/dbraw/zinc/14/23/03/167142303.db2.gz MGJYZCUQPFXESH-VIFPVBQESA-N 0 1 213.227 2.396 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762065 487558997 /nfs/dbraw/zinc/55/89/97/487558997.db2.gz BMRIKOZBDIEFFC-SNVBAGLBSA-N 0 1 234.299 2.012 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H](C)C1 ZINC000094762677 487559975 /nfs/dbraw/zinc/55/99/75/487559975.db2.gz ZKMCXWQFYHPMHN-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)cn1 ZINC000156659116 487568524 /nfs/dbraw/zinc/56/85/24/487568524.db2.gz GTBKSGWLSXKHLF-LLVKDONJSA-N 0 1 236.315 2.075 20 0 BEADMN CN1Cc2ccccc2[C@H](NCC2(F)CC2)C1 ZINC000527524388 487574402 /nfs/dbraw/zinc/57/44/02/487574402.db2.gz DVKGPLBHQHALDB-CYBMUJFWSA-N 0 1 234.318 2.265 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000382986917 487574432 /nfs/dbraw/zinc/57/44/32/487574432.db2.gz WJLHBOAVOZSHQW-IUCAKERBSA-N 0 1 247.285 2.359 20 0 BEADMN CCCn1cc(CN[C@H](C)c2cn[nH]c2)c(C)n1 ZINC001650888225 1172908073 /nfs/dbraw/zinc/90/80/73/1172908073.db2.gz RWXUNGMOACLFQT-SNVBAGLBSA-N 0 1 247.346 2.175 20 0 BEADMN CCc1nc(CN(C)Cc2ccsc2)n[nH]1 ZINC000680364322 487575239 /nfs/dbraw/zinc/57/52/39/487575239.db2.gz GSQBSUOKNRRISK-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN Cc1ncc(CN[C@H](CO)CCC(C)(C)C)o1 ZINC001651001805 1172914813 /nfs/dbraw/zinc/91/48/13/1172914813.db2.gz XHCSBUJSLZKZHD-NSHDSACASA-N 0 1 240.347 2.260 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NC[C@@H](C)C2CC2)cc1 ZINC000228083643 487582747 /nfs/dbraw/zinc/58/27/47/487582747.db2.gz BHTNXWGETCHGOF-BXUZGUMPSA-N 0 1 246.354 2.157 20 0 BEADMN CCCN(Cc1[nH]ncc1C)CC(F)(F)F ZINC000685834364 487583638 /nfs/dbraw/zinc/58/36/38/487583638.db2.gz JODCONIVQQLQMV-UHFFFAOYSA-N 0 1 235.253 2.492 20 0 BEADMN CC(C)OCCN[C@H](C)c1nccs1 ZINC000070634474 167243049 /nfs/dbraw/zinc/24/30/49/167243049.db2.gz SLOBLTWWBRLACT-SECBINFHSA-N 0 1 214.334 2.219 20 0 BEADMN CC(C)O[C@@H]1C[C@@H](NCc2ncc[nH]2)C1(C)C ZINC000361901217 167281769 /nfs/dbraw/zinc/28/17/69/167281769.db2.gz QVZDIBZVRIUFNT-GHMZBOCLSA-N 0 1 237.347 2.091 20 0 BEADMN O=C1CN(C2CCCC2)Cc2ccccc2N1 ZINC000653829931 487594876 /nfs/dbraw/zinc/59/48/76/487594876.db2.gz KBDZZQDXWNDRBZ-UHFFFAOYSA-N 0 1 230.311 2.383 20 0 BEADMN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C ZINC000082318527 487594762 /nfs/dbraw/zinc/59/47/62/487594762.db2.gz GSVOISFXTJAOHU-OLZOCXBDSA-N 0 1 238.375 2.262 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2cocn2)C1(C)C ZINC000361025114 167283242 /nfs/dbraw/zinc/28/32/42/167283242.db2.gz JIFLMLJEVMGVKF-NEPJUHHUSA-N 0 1 238.331 2.356 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2ncc[nH]2)C1(C)C ZINC000361901223 167282533 /nfs/dbraw/zinc/28/25/33/167282533.db2.gz QVZDIBZVRIUFNT-MNOVXSKESA-N 0 1 237.347 2.091 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000680463885 487599948 /nfs/dbraw/zinc/59/99/48/487599948.db2.gz ASWDZWVGGDUUHJ-NWDGAFQWSA-N 0 1 226.364 2.118 20 0 BEADMN C[C@H](O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000531276567 487600742 /nfs/dbraw/zinc/60/07/42/487600742.db2.gz PNVHJBOSTJVZGP-IUCAKERBSA-N 0 1 249.339 2.333 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CC2CC=CC2)n1 ZINC000660749303 487603009 /nfs/dbraw/zinc/60/30/09/487603009.db2.gz IIZNOSCRNUIASZ-UHFFFAOYSA-N 0 1 247.342 2.282 20 0 BEADMN c1n[nH]nc1SCc1ccc2nccnc2c1 ZINC001651837611 1172994879 /nfs/dbraw/zinc/99/48/79/1172994879.db2.gz JWOMRZBSROWOSV-UHFFFAOYSA-N 0 1 243.295 2.040 20 0 BEADMN CC(C)SCCN1CCOCC12CCC2 ZINC000374342366 167325773 /nfs/dbraw/zinc/32/57/73/167325773.db2.gz QRAKWCNJOYGRRM-UHFFFAOYSA-N 0 1 229.389 2.383 20 0 BEADMN C=C=CCNc1ccncc1C(F)(F)F ZINC001651890840 1173002192 /nfs/dbraw/zinc/00/21/92/1173002192.db2.gz PWHPMASGHJKRLU-UHFFFAOYSA-N 0 1 214.190 2.275 20 0 BEADMN CC(C)CN(C)Cc1cn(C2CC2)cn1 ZINC001651919070 1173007086 /nfs/dbraw/zinc/00/70/86/1173007086.db2.gz ARHRIMUNZISBMU-UHFFFAOYSA-N 0 1 207.321 2.306 20 0 BEADMN Cc1cnc([C@H](C)N(C)CC2=CCSC2)cn1 ZINC000662267543 409568793 /nfs/dbraw/zinc/56/87/93/409568793.db2.gz VCSPKMPEHVWWJJ-NSHDSACASA-N 0 1 249.383 2.451 20 0 BEADMN CCCC(C)(C)C(=O)NCCN1CC=CCC1 ZINC000651953088 409572631 /nfs/dbraw/zinc/57/26/31/409572631.db2.gz PNBAFIHOQULWMK-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN FC(F)(F)c1ccncc1CNC1CSC1 ZINC000668826563 487610225 /nfs/dbraw/zinc/61/02/25/487610225.db2.gz FUVQXECQWNZPEO-UHFFFAOYSA-N 0 1 248.273 2.305 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)oc2C)C[C@H]1C ZINC000660720284 409644155 /nfs/dbraw/zinc/64/41/55/409644155.db2.gz IOVOGZPIOGLDQT-NOZJJQNGSA-N 0 1 238.331 2.148 20 0 BEADMN CC1(CN2CCO[C@](C)(C(F)F)C2)CC1 ZINC000668826533 487610312 /nfs/dbraw/zinc/61/03/12/487610312.db2.gz FGJHRQAGCSWURR-NSHDSACASA-N 0 1 219.275 2.143 20 0 BEADMN CC1(C)COC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660738818 409683660 /nfs/dbraw/zinc/68/36/60/409683660.db2.gz TWCOCPUERGEFBY-LBPRGKRZSA-N 0 1 236.315 2.067 20 0 BEADMN COC1([C@@H](C)NCc2coc(C)n2)CCC1 ZINC000660805446 409769044 /nfs/dbraw/zinc/76/90/44/409769044.db2.gz MWGPXMOFWIWSJQ-SECBINFHSA-N 0 1 224.304 2.030 20 0 BEADMN CC(C)SCCNCc1ncc(Cl)n1C ZINC000290071229 167332171 /nfs/dbraw/zinc/33/21/71/167332171.db2.gz ICJLRQYLWCGVFV-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN CC(C)SCCN[C@H](C)c1ccon1 ZINC000308668665 167332453 /nfs/dbraw/zinc/33/24/53/167332453.db2.gz ULMLLTWRTMUORK-SECBINFHSA-N 0 1 214.334 2.467 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1n[n-]c(=O)o1)c1ccccc1 ZINC000660850790 409866936 /nfs/dbraw/zinc/86/69/36/409866936.db2.gz YFFLPWHZDUTSDX-JTQLQIEISA-N 0 1 247.298 2.011 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000308942025 409963757 /nfs/dbraw/zinc/96/37/57/409963757.db2.gz SKPGPRVWNYKPKF-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cccc(N2CCC[C@@H](CCC(=O)[O-])C2)[nH+]1 ZINC000662887643 409967369 /nfs/dbraw/zinc/96/73/69/409967369.db2.gz LWBRXJWIGGTQBG-LBPRGKRZSA-N 0 1 248.326 2.471 20 0 BEADMN CC(C)N(Cc1ncccn1)CC1CC1 ZINC000558839825 410049641 /nfs/dbraw/zinc/04/96/41/410049641.db2.gz BKPJMSHEXGVZAR-UHFFFAOYSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1C[C@H]1CNc1cnn(-c2ccncc2)c1 ZINC000683109458 487614278 /nfs/dbraw/zinc/61/42/78/487614278.db2.gz FLZLBSGYBZFQDK-MNOVXSKESA-N 0 1 228.299 2.335 20 0 BEADMN CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCC1 ZINC000655452341 410292609 /nfs/dbraw/zinc/29/26/09/410292609.db2.gz VIHYHUOUROAMTL-CMPLNLGQSA-N 0 1 226.364 2.022 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650789374 410436460 /nfs/dbraw/zinc/43/64/60/410436460.db2.gz DCTDXHXSCLQVMT-CYBMUJFWSA-N 0 1 245.322 2.082 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccsc1 ZINC000650794220 410441157 /nfs/dbraw/zinc/44/11/57/410441157.db2.gz WWOLPDLYEQEDFQ-PSASIEDQSA-N 0 1 225.313 2.186 20 0 BEADMN CCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])o1 ZINC000650794877 410441808 /nfs/dbraw/zinc/44/18/08/410441808.db2.gz JFWLHJQJRMNUFL-CABZTGNLSA-N 0 1 237.299 2.280 20 0 BEADMN Cc1sccc1C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000650795967 410444023 /nfs/dbraw/zinc/44/40/23/410444023.db2.gz ICOWICMGHDQYQR-LDYMZIIASA-N 0 1 239.340 2.494 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(Cl)o1 ZINC000650808254 410516429 /nfs/dbraw/zinc/51/64/29/410516429.db2.gz UYNIUGQQQJJRIV-QMMMGPOBSA-N 0 1 231.679 2.228 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)o1 ZINC000650808254 410516435 /nfs/dbraw/zinc/51/64/35/410516435.db2.gz UYNIUGQQQJJRIV-QMMMGPOBSA-N 0 1 231.679 2.228 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000650805679 410511135 /nfs/dbraw/zinc/51/11/35/410511135.db2.gz HORXCHJBDMLAEX-ONGXEEELSA-N 0 1 241.356 2.474 20 0 BEADMN C/C(=C/C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000161658011 166231412 /nfs/dbraw/zinc/23/14/12/166231412.db2.gz BQQJLLMFMSBSMM-ABRRARGCSA-N 0 1 247.342 2.122 20 0 BEADMN CCc1cc(=O)n(-c2ccc(F)cc2F)[nH]1 ZINC000100866424 410672250 /nfs/dbraw/zinc/67/22/50/410672250.db2.gz NUMJKCCVDGPOCK-UHFFFAOYSA-N 0 1 224.210 2.468 20 0 BEADMN NCc1ccc(C(=O)NCC2(C3CC3)CCC2)o1 ZINC000393332041 410677821 /nfs/dbraw/zinc/67/78/21/410677821.db2.gz MLTZVVBVNHOGJK-UHFFFAOYSA-N 0 1 248.326 2.048 20 0 BEADMN C=C/C(C)=C/CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000651007124 410753097 /nfs/dbraw/zinc/75/30/97/410753097.db2.gz LRAWVXQEHACOBM-UXBLZVDNSA-N 0 1 248.330 2.067 20 0 BEADMN CC(C)c1cccc(C[N@@H+](C)CC(=O)[O-])c1 ZINC000201639938 487619116 /nfs/dbraw/zinc/61/91/16/487619116.db2.gz CTWKTDIIWPICDL-UHFFFAOYSA-N 0 1 221.300 2.326 20 0 BEADMN CC(C)C[C@H](CO)NCc1c(F)cccc1F ZINC000040773237 410889657 /nfs/dbraw/zinc/88/96/57/410889657.db2.gz NYUNTFDXCIVTFP-SNVBAGLBSA-N 0 1 243.297 2.461 20 0 BEADMN O=C1[C@H]2CCCCCC2=NN1c1ccncc1 ZINC000103463659 410897813 /nfs/dbraw/zinc/89/78/13/410897813.db2.gz XFQSAJURMAQKGX-NSHDSACASA-N 0 1 229.283 2.365 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1)CCCCC2 ZINC000103463659 410897817 /nfs/dbraw/zinc/89/78/17/410897817.db2.gz XFQSAJURMAQKGX-NSHDSACASA-N 0 1 229.283 2.365 20 0 BEADMN CC(C)OCCCN1CCC[C@H]1c1cc[nH]n1 ZINC000368490147 167211246 /nfs/dbraw/zinc/21/12/46/167211246.db2.gz KWIMRUJVSLIUPY-ZDUSSCGKSA-N 0 1 237.347 2.362 20 0 BEADMN CC(C)OCCNCc1cc(F)ccc1F ZINC000082599604 167241430 /nfs/dbraw/zinc/24/14/30/167241430.db2.gz CYBLFCQAKPCLGA-UHFFFAOYSA-N 0 1 229.270 2.479 20 0 BEADMN CC(C)OCCNC(C)(C)c1nccs1 ZINC000173423879 167242609 /nfs/dbraw/zinc/24/26/09/167242609.db2.gz ORNDOCUNFRUGLY-UHFFFAOYSA-N 0 1 228.361 2.393 20 0 BEADMN CC(C)OC[C@@H](C)NCc1nccs1 ZINC000308673435 167257135 /nfs/dbraw/zinc/25/71/35/167257135.db2.gz VRMFHBCIIKOSIS-SECBINFHSA-N 0 1 214.334 2.046 20 0 BEADMN CC(C)ONC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000295523549 167279329 /nfs/dbraw/zinc/27/93/29/167279329.db2.gz IUQDCCSYGSBVEI-LBPRGKRZSA-N 0 1 249.310 2.268 20 0 BEADMN CC(C)Oc1ccccc1CN1CCC[C@H](O)C1 ZINC000055897513 167310458 /nfs/dbraw/zinc/31/04/58/167310458.db2.gz LLMAXRMAVDWALW-AWEZNQCLSA-N 0 1 249.354 2.431 20 0 BEADMN CC(C)Oc1ccccc1CN(CCO)C1CC1 ZINC000298860292 167311064 /nfs/dbraw/zinc/31/10/64/167311064.db2.gz OGGZGCRKKDCGPU-UHFFFAOYSA-N 0 1 249.354 2.431 20 0 BEADMN CC(C)SCCN[C@@H]1CCn2ccnc21 ZINC000293835975 167332883 /nfs/dbraw/zinc/33/28/83/167332883.db2.gz BPOMEKKYJSVBDR-SNVBAGLBSA-N 0 1 225.361 2.059 20 0 BEADMN CC(C)SCCN[C@H]1CCn2ccnc21 ZINC000293835970 167333870 /nfs/dbraw/zinc/33/38/70/167333870.db2.gz BPOMEKKYJSVBDR-JTQLQIEISA-N 0 1 225.361 2.059 20 0 BEADMN Cc1nocc1CNc1ccnc(C)c1Cl ZINC000398023673 410939137 /nfs/dbraw/zinc/93/91/37/410939137.db2.gz WWMCCLCRXWWYMW-UHFFFAOYSA-N 0 1 237.690 2.374 20 0 BEADMN CC(C)[C@@H](C)NC(=O)c1ccc2cncn2c1 ZINC000284582261 167379105 /nfs/dbraw/zinc/37/91/05/167379105.db2.gz SABORTYIMCKGLL-SNVBAGLBSA-N 0 1 231.299 2.109 20 0 BEADMN CC(C)[C@@H](C)NCc1ncn(-c2ccccc2)n1 ZINC000294868810 167383787 /nfs/dbraw/zinc/38/37/87/167383787.db2.gz CMMCUFIDDXTAAO-GFCCVEGCSA-N 0 1 244.342 2.401 20 0 BEADMN CC(C)[C@@H](CCO)NCc1ncc(C2CC2)o1 ZINC000355059820 167392626 /nfs/dbraw/zinc/39/26/26/167392626.db2.gz PKWIGIOPDFWDCK-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)n[nH]1 ZINC000651340756 410924429 /nfs/dbraw/zinc/92/44/29/410924429.db2.gz ILURNDFARFNGSV-OLZOCXBDSA-N 0 1 247.342 2.161 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H](CO)CC2CCC2)c2nccn21 ZINC000651340559 410924478 /nfs/dbraw/zinc/92/44/78/410924478.db2.gz ZCVOXTVFIZPFDB-RAIGVLPGSA-N 0 1 249.358 2.030 20 0 BEADMN CC[C@H](N[C@H](C)CCCCO)C(F)F ZINC000651364360 410953685 /nfs/dbraw/zinc/95/36/85/410953685.db2.gz RINOBQRHTNNDKM-BDAKNGLRSA-N 0 1 209.280 2.171 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN[C@@H](CO)CCF)o1 ZINC000652015853 410972085 /nfs/dbraw/zinc/97/20/85/410972085.db2.gz NCALPFDKEICZCD-CKYFFXLPSA-N 0 1 241.306 2.213 20 0 BEADMN OC[C@H](CCF)NCc1ccc(F)cc1Cl ZINC000652018630 410991368 /nfs/dbraw/zinc/99/13/68/410991368.db2.gz YHVXJMRKGGVABR-JTQLQIEISA-N 0 1 249.688 2.289 20 0 BEADMN OC[C@@H](CCF)NCc1cscc1Cl ZINC000652018781 410995302 /nfs/dbraw/zinc/99/53/02/410995302.db2.gz CEMNRQNKKTUEKG-MRVPVSSYSA-N 0 1 237.727 2.212 20 0 BEADMN Cc1nc([C@H](C)N[C@H](CO)CCF)c(C)s1 ZINC000652032785 411082542 /nfs/dbraw/zinc/08/25/42/411082542.db2.gz ZOTUUWRWGTYEHE-XVKPBYJWSA-N 0 1 246.351 2.131 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CO)CCF)c(C)s1 ZINC000652032784 411083118 /nfs/dbraw/zinc/08/31/18/411083118.db2.gz ZOTUUWRWGTYEHE-XCBNKYQSSA-N 0 1 246.351 2.131 20 0 BEADMN COC[C@H](CC(C)(C)C)NCc1cocn1 ZINC000651716400 411137862 /nfs/dbraw/zinc/13/78/62/411137862.db2.gz WZFMVRUBKHHCQH-JTQLQIEISA-N 0 1 226.320 2.215 20 0 BEADMN COC[C@@H](CC(C)(C)C)NCc1cocn1 ZINC000651716401 411137970 /nfs/dbraw/zinc/13/79/70/411137970.db2.gz WZFMVRUBKHHCQH-SNVBAGLBSA-N 0 1 226.320 2.215 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1F ZINC000044623245 411138806 /nfs/dbraw/zinc/13/88/06/411138806.db2.gz LHQKXANBUQEALI-NSHDSACASA-N 0 1 243.253 2.260 20 0 BEADMN CCN(CC)C(=O)c1cc(C(C)C)[nH]n1 ZINC000044850266 411141741 /nfs/dbraw/zinc/14/17/41/411141741.db2.gz NTMDPDAGCHVJSC-UHFFFAOYSA-N 0 1 209.293 2.015 20 0 BEADMN COC[C@@H](CC(C)(C)C)NCc1ccno1 ZINC000651760435 411141973 /nfs/dbraw/zinc/14/19/73/411141973.db2.gz AXIMAZHFVTWEBE-SNVBAGLBSA-N 0 1 226.320 2.215 20 0 BEADMN CC1CN(Cc2cc3cnccc3o2)C1 ZINC000651790620 411143955 /nfs/dbraw/zinc/14/39/55/411143955.db2.gz DPPLZLPPBBDBNL-UHFFFAOYSA-N 0 1 202.257 2.280 20 0 BEADMN OC[C@]1(F)CCN(Cc2cccc3c2CCC3)C1 ZINC000651796449 411144445 /nfs/dbraw/zinc/14/44/45/411144445.db2.gz HZHVJQZUKLLDCA-HNNXBMFYSA-N 0 1 249.329 2.082 20 0 BEADMN OC[C@@]1(F)CCN(Cc2cccc3c2CCC3)C1 ZINC000651796450 411144449 /nfs/dbraw/zinc/14/44/49/411144449.db2.gz HZHVJQZUKLLDCA-OAHLLOKOSA-N 0 1 249.329 2.082 20 0 BEADMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc2cnccc2o1 ZINC000651833755 411147006 /nfs/dbraw/zinc/14/70/06/411147006.db2.gz NVVQBIOVZFPKQG-ZYHUDNBSSA-N 0 1 246.310 2.173 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1cccc(F)c1 ZINC000109279621 411149790 /nfs/dbraw/zinc/14/97/90/411149790.db2.gz UUYMDAZPWSYZHH-UHFFFAOYSA-N 0 1 218.231 2.328 20 0 BEADMN CC(C)c1nc(C[N@H+](C)CCC(=O)[O-])cs1 ZINC000049277356 167662462 /nfs/dbraw/zinc/66/24/62/167662462.db2.gz BMPAEAJWOGHHOC-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CC(C)c1nc(C[N@@H+](C)CCC(=O)[O-])cs1 ZINC000049277356 167662466 /nfs/dbraw/zinc/66/24/66/167662466.db2.gz BMPAEAJWOGHHOC-UHFFFAOYSA-N 0 1 242.344 2.173 20 0 BEADMN CCc1cc(CN[C@H](C)C2(OC)CCC2)on1 ZINC000657885618 411153316 /nfs/dbraw/zinc/15/33/16/411153316.db2.gz GHXUSSWUFGDBJG-SNVBAGLBSA-N 0 1 238.331 2.284 20 0 BEADMN CC[C@H](C(=O)[O-])[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000655931724 411159263 /nfs/dbraw/zinc/15/92/63/411159263.db2.gz OPWOBGAUWPVQHF-LLVKDONJSA-N 0 1 241.237 2.144 20 0 BEADMN CC(C)(CCN1CC(=O)NCC1(C)C)C1CC1 ZINC000653662767 411160918 /nfs/dbraw/zinc/16/09/18/411160918.db2.gz RJBWCQXOGMTSMK-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000652059501 411100318 /nfs/dbraw/zinc/10/03/18/411100318.db2.gz NKUIVHGSZFXYFH-DMDPSCGWSA-N 0 1 235.327 2.360 20 0 BEADMN C=Cn1cc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC000652064681 411104302 /nfs/dbraw/zinc/10/43/02/411104302.db2.gz XNDBHHZXUPFXLW-LLVKDONJSA-N 0 1 239.269 2.215 20 0 BEADMN O=C([O-])C[N@@H+](CCC1CCCC1)CC1CC1 ZINC000300809384 411126798 /nfs/dbraw/zinc/12/67/98/411126798.db2.gz WZPUELRHQKSPQF-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN COC1([C@H](C)NCc2ncccc2F)CCC1 ZINC000657930612 411170479 /nfs/dbraw/zinc/17/04/79/411170479.db2.gz JKFVQSQGQBQTKI-JTQLQIEISA-N 0 1 238.306 2.268 20 0 BEADMN C[C@H]1CC[N@@H+](CC2=CCCC2)[C@@H](C(=O)[O-])C1 ZINC000401108547 411176615 /nfs/dbraw/zinc/17/66/15/411176615.db2.gz IKEQAJMSJVJREZ-CMPLNLGQSA-N 0 1 223.316 2.282 20 0 BEADMN c1nc(CN[C@H]2CCCSCC2)co1 ZINC000657947795 411177886 /nfs/dbraw/zinc/17/78/86/411177886.db2.gz PNBAAEUJDNEJBD-VIFPVBQESA-N 0 1 212.318 2.050 20 0 BEADMN O=C([O-])C[N@@H+](Cc1ccsc1)C1CCC1 ZINC000656100183 411178197 /nfs/dbraw/zinc/17/81/97/411178197.db2.gz GIYAWOHRTAUNPQ-UHFFFAOYSA-N 0 1 225.313 2.187 20 0 BEADMN CC(C)n1cc(CNC2(C(C)C)CC2)nn1 ZINC000339501953 167748712 /nfs/dbraw/zinc/74/87/12/167748712.db2.gz NRCRZYLQSXCPQR-UHFFFAOYSA-N 0 1 222.336 2.137 20 0 BEADMN CC1(C)SC[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000655766244 411248561 /nfs/dbraw/zinc/24/85/61/411248561.db2.gz OGNSVZMEJMDUAT-UWVGGRQHSA-N 0 1 237.372 2.202 20 0 BEADMN COC[C@H]1CCN1CCc1noc2ccccc21 ZINC000653702667 411194091 /nfs/dbraw/zinc/19/40/91/411194091.db2.gz ISWTYEVPKUHXMI-LLVKDONJSA-N 0 1 246.310 2.091 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000070499513 411195089 /nfs/dbraw/zinc/19/50/89/411195089.db2.gz YFGHCPMUIRTLQP-AWEZNQCLSA-N 0 1 247.338 2.470 20 0 BEADMN Cc1cc([C@H](C)NCCC2(CO)CCC2)no1 ZINC000652312155 411197922 /nfs/dbraw/zinc/19/79/22/411197922.db2.gz HILVYCZSYHEECX-NSHDSACASA-N 0 1 238.331 2.186 20 0 BEADMN CC[C@@H](NCc1ncc(C)cn1)[C@H]1CCCCO1 ZINC000653874546 411204683 /nfs/dbraw/zinc/20/46/83/411204683.db2.gz ILULSUJMLPQRLC-CHWSQXEVSA-N 0 1 249.358 2.222 20 0 BEADMN CC[C@@H](NCc1cc(C)on1)[C@@H]1CCCCO1 ZINC000653881668 411207653 /nfs/dbraw/zinc/20/76/53/411207653.db2.gz ZYPQRGSDIMVKAC-OLZOCXBDSA-N 0 1 238.331 2.420 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2COC3(CCC3)C2)c2nccn21 ZINC000658030474 411207752 /nfs/dbraw/zinc/20/77/52/411207752.db2.gz ZWLMGIDPQLMYMW-WOPDTQHZSA-N 0 1 247.342 2.190 20 0 BEADMN C[C@H](N[C@H]1CCCSCC1)c1csnn1 ZINC000658034900 411210455 /nfs/dbraw/zinc/21/04/55/411210455.db2.gz MDROYHYGCLSXAU-IUCAKERBSA-N 0 1 243.401 2.474 20 0 BEADMN COCC1(CNc2cccc(C)n2)CC1 ZINC000656213064 411211609 /nfs/dbraw/zinc/21/16/09/411211609.db2.gz NCYQEPDCSOGZBQ-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN C[C@@H](O)CN(Cc1nc2ccccc2o1)C1CC1 ZINC000653896258 411212606 /nfs/dbraw/zinc/21/26/06/411212606.db2.gz OMDIVVDEIQJQGV-SNVBAGLBSA-N 0 1 246.310 2.173 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CCC2(C)C)c2ncnn21 ZINC000658101575 411246263 /nfs/dbraw/zinc/24/62/63/411246263.db2.gz LTVJLVNAYYIMEK-UTLUCORTSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@H](O)CN(Cc1cccc(F)c1F)C1CC1 ZINC000653897097 411214015 /nfs/dbraw/zinc/21/40/15/411214015.db2.gz HYHZYXKZLDWKFU-VIFPVBQESA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H](C[N@@H+](C)CC1=CCCCC1)C(=O)[O-] ZINC000652359425 411216256 /nfs/dbraw/zinc/21/62/56/411216256.db2.gz YFHSHVSAFBWWLE-JTQLQIEISA-N 0 1 211.305 2.139 20 0 BEADMN C[C@H](C[N@@H+](C)CC1=CCCCC1)C(=O)[O-] ZINC000652359426 411216429 /nfs/dbraw/zinc/21/64/29/411216429.db2.gz YFHSHVSAFBWWLE-SNVBAGLBSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccn(C)n1 ZINC000658057883 411225070 /nfs/dbraw/zinc/22/50/70/411225070.db2.gz JWNJLMVHAMZJJK-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@H](N[C@@H]1COC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000658060745 411226640 /nfs/dbraw/zinc/22/66/40/411226640.db2.gz PUIWEGIIUGZWPL-QWRGUYRKSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H](O)CN(Cc1ccc(Cl)o1)C1CC1 ZINC000656280710 411228188 /nfs/dbraw/zinc/22/81/88/411228188.db2.gz HAPAEHDUUAHFRP-MRVPVSSYSA-N 0 1 229.707 2.278 20 0 BEADMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000652400974 411228970 /nfs/dbraw/zinc/22/89/70/411228970.db2.gz CQOZLAXDZNPNQK-CABZTGNLSA-N 0 1 237.274 2.293 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1ccoc1 ZINC000652408265 411230640 /nfs/dbraw/zinc/23/06/40/411230640.db2.gz RMVQHFCBTFTJOS-NSHDSACASA-N 0 1 225.288 2.355 20 0 BEADMN CC[C@H](COCC1CC1)N[C@@H]1CCn2ccnc21 ZINC000658089770 411239721 /nfs/dbraw/zinc/23/97/21/411239721.db2.gz BANQWSMBVFFKPE-CHWSQXEVSA-N 0 1 249.358 2.123 20 0 BEADMN c1coc(CCNCc2cc3n(n2)CCCC3)c1 ZINC000655710122 411261828 /nfs/dbraw/zinc/26/18/28/411261828.db2.gz BZPPYTMMYBKZGW-UHFFFAOYSA-N 0 1 245.326 2.145 20 0 BEADMN C[N@H+](CCCC(=O)[O-])Cc1c(F)cccc1F ZINC000086802449 411261793 /nfs/dbraw/zinc/26/17/93/411261793.db2.gz YCTOGJTWZKJOIM-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN C[N@@H+](CCCC(=O)[O-])Cc1c(F)cccc1F ZINC000086802449 411261799 /nfs/dbraw/zinc/26/17/99/411261799.db2.gz YCTOGJTWZKJOIM-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652515312 411263219 /nfs/dbraw/zinc/26/32/19/411263219.db2.gz YCARYKVXHPFDCY-NWDGAFQWSA-N 0 1 225.332 2.219 20 0 BEADMN CCc1nocc1CN1CC[C@@H](C(F)F)C1 ZINC000660148022 411264180 /nfs/dbraw/zinc/26/41/80/411264180.db2.gz SGQRGSIDJPJUGT-MRVPVSSYSA-N 0 1 230.258 2.324 20 0 BEADMN CCC[C@@H](NC/C=C/CO)c1ccccn1 ZINC000658142827 411265609 /nfs/dbraw/zinc/26/56/09/411265609.db2.gz ZKJKEOLEJZFBRG-BTDICHCPSA-N 0 1 220.316 2.061 20 0 BEADMN CN[C@H](C)c1cn([C@]2(C)CCCC[C@H]2C)nn1 ZINC000656459428 411269617 /nfs/dbraw/zinc/26/96/17/411269617.db2.gz UEDKXZIKKIVKCD-NQBHXWOUSA-N 0 1 236.363 2.484 20 0 BEADMN CC(C)CC[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330563 411270698 /nfs/dbraw/zinc/27/06/98/411270698.db2.gz KIECAQRJZQTOIC-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CO[C@@H](CN1CCC=C(F)C1)C1CCC1 ZINC000660167610 411275085 /nfs/dbraw/zinc/27/50/85/411275085.db2.gz XBTSSBIEDAPRDZ-LBPRGKRZSA-N 0 1 213.296 2.361 20 0 BEADMN CC(C)=CCC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000659789068 411277795 /nfs/dbraw/zinc/27/77/95/411277795.db2.gz PRUGPXTWMUFBHN-GFCCVEGCSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)(CNc1ccccc1)N1CCOCC1 ZINC000653461778 411279593 /nfs/dbraw/zinc/27/95/93/411279593.db2.gz IPKFEFOHMHLJNP-UHFFFAOYSA-N 0 1 234.343 2.209 20 0 BEADMN Cc1cc2[nH]c(CC(=O)C3CC3)nc(=O)c2s1 ZINC000656490671 411285041 /nfs/dbraw/zinc/28/50/41/411285041.db2.gz FBSGMHDKVYMJPD-UHFFFAOYSA-N 0 1 248.307 2.227 20 0 BEADMN CC1(C)CCN(Cc2cc3n(n2)CCCC3)C1 ZINC000649545493 411289572 /nfs/dbraw/zinc/28/95/72/411289572.db2.gz HOLSQTFDYRAHJU-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@@H]1CC[C@H](C)N(Cc2cc3n(n2)CCC3)C1 ZINC000649545463 411289681 /nfs/dbraw/zinc/28/96/81/411289681.db2.gz GVFBQXGUTWETCY-NEPJUHHUSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1cc2n(n1)CCC2 ZINC000649545464 411289845 /nfs/dbraw/zinc/28/98/45/411289845.db2.gz GVFBQXGUTWETCY-NWDGAFQWSA-N 0 1 233.359 2.450 20 0 BEADMN Cc1nnsc1CNCCOc1ccccc1 ZINC000383556854 411291856 /nfs/dbraw/zinc/29/18/56/411291856.db2.gz ZAEGAZJNFCSQHF-UHFFFAOYSA-N 0 1 249.339 2.015 20 0 BEADMN O=C([O-])C[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070914595 411299048 /nfs/dbraw/zinc/29/90/48/411299048.db2.gz NFNLBGQNWMEJGR-MRVPVSSYSA-N 0 1 239.237 2.268 20 0 BEADMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1nccn1C ZINC000658219982 411299195 /nfs/dbraw/zinc/29/91/95/411299195.db2.gz OWIRRGGKOAKAEH-IJLUTSLNSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](Cc1ccco1)c1nc([C@H]2CCCN2)no1 ZINC000656561430 411301348 /nfs/dbraw/zinc/30/13/48/411301348.db2.gz VGMQRYJREURJPK-GXSJLCMTSA-N 0 1 247.298 2.433 20 0 BEADMN CCCCN(C)Cc1cc(OC)ns1 ZINC000659814822 411301649 /nfs/dbraw/zinc/30/16/49/411301649.db2.gz WOSYJTATEBAIBC-UHFFFAOYSA-N 0 1 214.334 2.384 20 0 BEADMN CCC/C=C/c1nc(C2(N)CCC2)no1 ZINC000656562255 411302150 /nfs/dbraw/zinc/30/21/50/411302150.db2.gz ZEVQTVNEUWBFRV-GQCTYLIASA-N 0 1 207.277 2.221 20 0 BEADMN COc1cc(C[N@@H+](C)[C@@H](C)C2CC2)sn1 ZINC000659826782 411309889 /nfs/dbraw/zinc/30/98/89/411309889.db2.gz OLBTYYKNBXOOJM-QMMMGPOBSA-N 0 1 226.345 2.382 20 0 BEADMN COc1cc(CN2CCC[C@H](C)C2)sn1 ZINC000659828676 411311851 /nfs/dbraw/zinc/31/18/51/411311851.db2.gz IURTUPVFJRGVMS-VIFPVBQESA-N 0 1 226.345 2.384 20 0 BEADMN CC/C=C/CNCc1cc2n(n1)CCCC2 ZINC000655778070 411313431 /nfs/dbraw/zinc/31/34/31/411313431.db2.gz AAHNDFLDNNSSPL-HWKANZROSA-N 0 1 219.332 2.275 20 0 BEADMN CC1(C)[C@H](CN[C@@H]2CCn3ccnc32)C1(F)F ZINC000658280016 411319883 /nfs/dbraw/zinc/31/98/83/411319883.db2.gz CSPYDGALRQHPKZ-BDAKNGLRSA-N 0 1 241.285 2.209 20 0 BEADMN Fc1ccc(CC2CN(Cc3cn[nH]c3)C2)cc1 ZINC000656667772 411320762 /nfs/dbraw/zinc/32/07/62/411320762.db2.gz CJGYLSUKZIVNRM-UHFFFAOYSA-N 0 1 245.301 2.223 20 0 BEADMN Cc1cc([C@@H](C)NCC2=CCCC2)nn1C ZINC000658291143 411324231 /nfs/dbraw/zinc/32/42/31/411324231.db2.gz LRPDMZYNGHPQCZ-LLVKDONJSA-N 0 1 219.332 2.489 20 0 BEADMN CC(C)OCC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652481143 411253096 /nfs/dbraw/zinc/25/30/96/411253096.db2.gz CGNFFDGSVWGQJN-UHFFFAOYSA-N 0 1 243.347 2.131 20 0 BEADMN CC(F)(F)CCN[C@H]1CCCn2ccnc21 ZINC000655772054 411254183 /nfs/dbraw/zinc/25/41/83/411254183.db2.gz RYOZVXNEXBBYLE-VIFPVBQESA-N 0 1 229.274 2.353 20 0 BEADMN CC1(COc2ccnc3c2CCCC3)COC1 ZINC000655703774 411254671 /nfs/dbraw/zinc/25/46/71/411254671.db2.gz VFCWVDACJUXYFL-UHFFFAOYSA-N 0 1 233.311 2.376 20 0 BEADMN C[C@@H](NC/C=C/CO)c1ccc2ccccc2n1 ZINC000658132146 411254886 /nfs/dbraw/zinc/25/48/86/411254886.db2.gz GMTYQXFVXYFWCK-ZYOFXKKJSA-N 0 1 242.322 2.434 20 0 BEADMN CCc1ccc([C@@H](C)NC/C=C\CO)o1 ZINC000658131704 411255020 /nfs/dbraw/zinc/25/50/20/411255020.db2.gz DBCOTMDSXDYQEF-UMCURTJPSA-N 0 1 209.289 2.041 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c(C)n1 ZINC000652480343 411255019 /nfs/dbraw/zinc/25/50/19/411255019.db2.gz BDJOCWSGGFNHBG-CQSZACIVSA-N 0 1 248.326 2.138 20 0 BEADMN C[C@@H](NC/C=C\CO)c1ccc2ccccc2n1 ZINC000658132144 411255259 /nfs/dbraw/zinc/25/52/59/411255259.db2.gz GMTYQXFVXYFWCK-QMAVJUDZSA-N 0 1 242.322 2.434 20 0 BEADMN CCOc1ccccc1[C@H](C)NC/C=C/CO ZINC000658132571 411256449 /nfs/dbraw/zinc/25/64/49/411256449.db2.gz IRWNDHXABSAJRG-SYTKJHMZSA-N 0 1 235.327 2.284 20 0 BEADMN C[C@H](NC/C=C/CO)c1cc(F)c(F)c(F)c1 ZINC000658134905 411259552 /nfs/dbraw/zinc/25/95/52/411259552.db2.gz SEEJXZISARDSTR-SGJFDWMWSA-N 0 1 245.244 2.303 20 0 BEADMN C[C@@H](NC/C=C\CO)c1ccc(F)cc1F ZINC000658135132 411261119 /nfs/dbraw/zinc/26/11/19/411261119.db2.gz SGQFVKXMHJBYHS-PKRMOACSSA-N 0 1 227.254 2.164 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1nncn1C ZINC000660263509 411350670 /nfs/dbraw/zinc/35/06/70/411350670.db2.gz KOWMRKBLHHXATM-CYZMBNFOSA-N 0 1 242.326 2.022 20 0 BEADMN C[C@@H](N[C@@H]1C[C@@H]1c1ccccc1)c1nncn1C ZINC000660263510 411351112 /nfs/dbraw/zinc/35/11/12/411351112.db2.gz KOWMRKBLHHXATM-RAIGVLPGSA-N 0 1 242.326 2.022 20 0 BEADMN CC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCCC1 ZINC000654220048 411353672 /nfs/dbraw/zinc/35/36/72/411353672.db2.gz XWBLTZKHXFCQQE-CMPLNLGQSA-N 0 1 226.364 2.022 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1cccc2ncccc12 ZINC000656757598 411353870 /nfs/dbraw/zinc/35/38/70/411353870.db2.gz VTAFABGTOUMCEK-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CCC1=CCCCC1 ZINC000656759793 411354323 /nfs/dbraw/zinc/35/43/23/411354323.db2.gz GXPOAFSSESAMEC-UHFFFAOYSA-N 0 1 235.327 2.426 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2C/C=C/c1ccccc1 ZINC000656760039 411354650 /nfs/dbraw/zinc/35/46/50/411354650.db2.gz OLBFQYIOHPOCCA-QPJJXVBHSA-N 0 1 243.306 2.249 20 0 BEADMN CC(C)(CC[N@H+]1CC2CC1(C(=O)[O-])C2)C1CC1 ZINC000656760247 411355490 /nfs/dbraw/zinc/35/54/90/411355490.db2.gz AFVVRGBDLOKODR-UHFFFAOYSA-N 0 1 237.343 2.362 20 0 BEADMN Cn1cnc(CN2CCC(C)(C)CC2)c1 ZINC000659870626 411355990 /nfs/dbraw/zinc/35/59/90/411355990.db2.gz FSJVIESYJAFSJA-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CCn1ccnc1NCc1nccn1C(C)C ZINC000656776317 411356142 /nfs/dbraw/zinc/35/61/42/411356142.db2.gz NGGNJYDJGREARK-UHFFFAOYSA-N 0 1 233.319 2.293 20 0 BEADMN Cc1ccnc(NCc2cnnn2C)c1C1CC1 ZINC000656779667 411357725 /nfs/dbraw/zinc/35/77/25/411357725.db2.gz TZOUMFUYGNOMON-UHFFFAOYSA-N 0 1 243.314 2.008 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(CO)cc2)[C@@H](C)CO1 ZINC000403849997 411362151 /nfs/dbraw/zinc/36/21/51/411362151.db2.gz SKESRXIUCUMXTF-SWLSCSKDSA-N 0 1 249.354 2.178 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)cn2)CC1(C)C ZINC000660278346 411364301 /nfs/dbraw/zinc/36/43/01/411364301.db2.gz SRQDHOTUHDZKKH-LLVKDONJSA-N 0 1 221.348 2.288 20 0 BEADMN c1cc(-c2nc([C@@H]3CCCN3)no2)cs1 ZINC000070947150 411369826 /nfs/dbraw/zinc/36/98/26/411369826.db2.gz NYDODZQVQZKLPM-QMMMGPOBSA-N 0 1 221.285 2.223 20 0 BEADMN C(c1nc([C@@H]2CCCN2)no1)C1CCCC1 ZINC000070947144 411370994 /nfs/dbraw/zinc/37/09/94/411370994.db2.gz ARUWPGBUHQILNS-JTQLQIEISA-N 0 1 221.304 2.227 20 0 BEADMN c1cnc([C@@H]2CCCN2CC[C@H]2CCCO2)nc1 ZINC000639874156 411334080 /nfs/dbraw/zinc/33/40/80/411334080.db2.gz WROHJDRTCPXOEF-OLZOCXBDSA-N 0 1 247.342 2.183 20 0 BEADMN CCc1nc([C@H](C)N(C)CCC(C)C)n[nH]1 ZINC000659848505 411340391 /nfs/dbraw/zinc/34/03/91/411340391.db2.gz JJNAUUKCMMUENI-JTQLQIEISA-N 0 1 224.352 2.406 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1nc2ccccc2o1 ZINC000311086468 168000017 /nfs/dbraw/zinc/00/00/17/168000017.db2.gz NAHHSEBUBXQTAR-LBPRGKRZSA-N 0 1 246.310 2.173 20 0 BEADMN CC1(C)[C@@H]2CN(C(=O)c3c(O)cccc3F)C[C@@H]21 ZINC000185527337 168011199 /nfs/dbraw/zinc/01/11/99/168011199.db2.gz WBRUWEKSMXPLAW-DTORHVGOSA-N 0 1 249.285 2.259 20 0 BEADMN CC1(CNc2ccncc2C(N)=O)CCCC1 ZINC000302211328 168048026 /nfs/dbraw/zinc/04/80/26/168048026.db2.gz GSHGUMQYPWIMCE-UHFFFAOYSA-N 0 1 233.315 2.173 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CCF)C1 ZINC000656762304 411346766 /nfs/dbraw/zinc/34/67/66/411346766.db2.gz CIMDSQJHWGJHGY-MNOVXSKESA-N 0 1 231.311 2.311 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2CCCC1CCC1 ZINC000656761618 411347093 /nfs/dbraw/zinc/34/70/93/411347093.db2.gz SNMKGRJHRJQDTN-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN C[C@@](N)(C(=O)NCC1(C)CCC1)c1ccccc1 ZINC000192494248 168035240 /nfs/dbraw/zinc/03/52/40/168035240.db2.gz XGIYODIVEIQTEO-HNNXBMFYSA-N 0 1 246.354 2.167 20 0 BEADMN Cc1ccc(CC[N@H+]2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656761457 411347337 /nfs/dbraw/zinc/34/73/37/411347337.db2.gz SWQKNQWKBAYCSG-UHFFFAOYSA-N 0 1 245.322 2.087 20 0 BEADMN OC[C@H]1CCCN1Cc1nsc2ccccc21 ZINC000659857589 411348100 /nfs/dbraw/zinc/34/81/00/411348100.db2.gz QIBXIZGJKHOINX-SNVBAGLBSA-N 0 1 248.351 2.253 20 0 BEADMN Cc1noc(C)c1CN1CCC=C(C)C1 ZINC000334150092 168100483 /nfs/dbraw/zinc/10/04/83/168100483.db2.gz KLSZBYCHGVUHHQ-UHFFFAOYSA-N 0 1 206.289 2.443 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1ncn(C)n1 ZINC000276747552 168104781 /nfs/dbraw/zinc/10/47/81/168104781.db2.gz LHPARKYFNUPIRE-XQQFMLRXSA-N 0 1 248.374 2.458 20 0 BEADMN CC1=CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000285815009 168108675 /nfs/dbraw/zinc/10/86/75/168108675.db2.gz YXOYBLVKQTXLRR-UHFFFAOYSA-N 0 1 241.294 2.127 20 0 BEADMN CC1=CCN(CCNC(=O)c2ccccc2)CC1 ZINC000355347170 168113116 /nfs/dbraw/zinc/11/31/16/168113116.db2.gz UUFQPBRCXGOBIZ-UHFFFAOYSA-N 0 1 244.338 2.068 20 0 BEADMN CC(C)[C@H]1C(=O)NCCN1CCCC1CCC1 ZINC000659910884 411380350 /nfs/dbraw/zinc/38/03/50/411380350.db2.gz AKAUSVGHBMHGRA-ZDUSSCGKSA-N 0 1 238.375 2.023 20 0 BEADMN COc1ccc(-c2nc(C3(N)CCCC3)no2)o1 ZINC000653490473 411380413 /nfs/dbraw/zinc/38/04/13/411380413.db2.gz JMBXRFJDEYUIGQ-UHFFFAOYSA-N 0 1 249.270 2.066 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CCCOC2)c(C)o1 ZINC000659910182 411380722 /nfs/dbraw/zinc/38/07/22/411380722.db2.gz RRYZEZUCAMSWDC-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN CC1=C[C@@H](C)C[C@H](C[N@@H+](CC(N)=O)C(C)C)C1 ZINC000356078910 168124652 /nfs/dbraw/zinc/12/46/52/168124652.db2.gz ABRDBEDLGVTAIQ-YPMHNXCESA-N 0 1 238.375 2.175 20 0 BEADMN CC1=C[C@H](C)C[C@H](CN[C@@H](C)c2ncn(C)n2)C1 ZINC000289404665 168130712 /nfs/dbraw/zinc/13/07/12/168130712.db2.gz AUSRMRNRKXKGEO-DRZSPHRISA-N 0 1 248.374 2.458 20 0 BEADMN CCc1nnc([C@@H](C)N(C)C[C@H](C)CC)[nH]1 ZINC000659916538 411381805 /nfs/dbraw/zinc/38/18/05/411381805.db2.gz NBEPYNSCLBVPRK-NXEZZACHSA-N 0 1 224.352 2.406 20 0 BEADMN C[C@H](NC(=O)C=C1CCC(C)CC1)c1nnc[nH]1 ZINC000175932917 168149346 /nfs/dbraw/zinc/14/93/46/168149346.db2.gz ZNGCTCKBUBJGHT-AXDSSHIGSA-N 0 1 248.330 2.118 20 0 BEADMN CC1CCC(NCc2csnn2)CC1 ZINC000036901915 168163684 /nfs/dbraw/zinc/16/36/84/168163684.db2.gz CFEGTGIOBADIJB-UHFFFAOYSA-N 0 1 211.334 2.206 20 0 BEADMN CC1CCN(C(=O)[C@@](C)(N)c2ccccc2)CC1 ZINC000052880929 168175069 /nfs/dbraw/zinc/17/50/69/168175069.db2.gz CBOLNXSJTFPDOU-HNNXBMFYSA-N 0 1 246.354 2.119 20 0 BEADMN CC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000163588812 168176264 /nfs/dbraw/zinc/17/62/64/168176264.db2.gz OQGHHBGGVGAROT-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CC1CCN(Cc2ccc(F)cn2)CC1 ZINC000276194580 168184927 /nfs/dbraw/zinc/18/49/27/168184927.db2.gz DDBQZDISTHOZRH-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCC(=O)CCN(C)Cc1ccc2c(c1)OCO2 ZINC000190180194 168199988 /nfs/dbraw/zinc/19/99/88/168199988.db2.gz BTVRMHLOHVEDJO-UHFFFAOYSA-N 0 1 249.310 2.216 20 0 BEADMN CCC(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000171257763 168209749 /nfs/dbraw/zinc/20/97/49/168209749.db2.gz ZSEZCPZDUIHPSJ-UHFFFAOYSA-N 0 1 227.333 2.173 20 0 BEADMN CCC(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000171257763 168209751 /nfs/dbraw/zinc/20/97/51/168209751.db2.gz ZSEZCPZDUIHPSJ-UHFFFAOYSA-N 0 1 227.333 2.173 20 0 BEADMN CC(C)[C@@H](C)c1nc([C@H]2CCCN2)no1 ZINC000069690944 411383789 /nfs/dbraw/zinc/38/37/89/411383789.db2.gz OCUHXJAOZCKSGN-RKDXNWHRSA-N 0 1 209.293 2.254 20 0 BEADMN COC1CCC(N(C)Cc2coc(C)n2)CC1 ZINC000659930881 411384896 /nfs/dbraw/zinc/38/48/96/411384896.db2.gz HIUKWXPADRENHX-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356883302 168271641 /nfs/dbraw/zinc/27/16/41/168271641.db2.gz QDQVYIDUQDJLRN-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356883304 168272311 /nfs/dbraw/zinc/27/23/11/168272311.db2.gz QDQVYIDUQDJLRN-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC(C)(C)CCN1CCN(C2CC2)C(=O)C1 ZINC000337482899 168276997 /nfs/dbraw/zinc/27/69/97/168276997.db2.gz XDPLTDMRRLKAKY-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1n[nH]c(C(=O)NC2CC3(CCC3)C2)c1C ZINC000652971858 411387028 /nfs/dbraw/zinc/38/70/28/411387028.db2.gz HOKSAVJVPWHVMP-UHFFFAOYSA-N 0 1 233.315 2.089 20 0 BEADMN CCC(C)(C)CNc1ccncc1C(N)=O ZINC000302783798 168282159 /nfs/dbraw/zinc/28/21/59/168282159.db2.gz LIIFNYILRAXCPP-UHFFFAOYSA-N 0 1 221.304 2.029 20 0 BEADMN CCC(C)(C)N(C)Cc1nnc2n1CCCC2 ZINC000369331767 168287765 /nfs/dbraw/zinc/28/77/65/168287765.db2.gz YVFDCHISYSCEMY-UHFFFAOYSA-N 0 1 236.363 2.235 20 0 BEADMN CCCC[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659798660 411456733 /nfs/dbraw/zinc/45/67/33/411456733.db2.gz MHRUAHNRZNQAAP-AAEUAGOBSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cn1 ZINC000659795183 411456856 /nfs/dbraw/zinc/45/68/56/411456856.db2.gz QFQDWUAZPZGTST-LLVKDONJSA-N 0 1 248.326 2.218 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)oc1C(=O)[O-] ZINC000659799748 411457932 /nfs/dbraw/zinc/45/79/32/411457932.db2.gz HDVLCESLURFPLL-UWVGGRQHSA-N 0 1 235.283 2.128 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799976 411458116 /nfs/dbraw/zinc/45/81/16/411458116.db2.gz LNEZRIUYAQZIHU-ONGXEEELSA-N 0 1 235.283 2.128 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](CCC1CC1)CC1CC1 ZINC000659803503 411458863 /nfs/dbraw/zinc/45/88/63/411458863.db2.gz JFNGCQBSLOLOLB-LBPRGKRZSA-N 0 1 225.332 2.362 20 0 BEADMN c1cc(CNCc2cnn3c2CCC3)cs1 ZINC000657311055 411458929 /nfs/dbraw/zinc/45/89/29/411458929.db2.gz SKDINCMXRDWRPI-UHFFFAOYSA-N 0 1 233.340 2.181 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802337 411459015 /nfs/dbraw/zinc/45/90/15/411459015.db2.gz SIYQPRKQHDCWTL-UTUOFQBUSA-N 0 1 227.348 2.464 20 0 BEADMN CCC1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCC1 ZINC000654877613 411459251 /nfs/dbraw/zinc/45/92/51/411459251.db2.gz YOXNVJMTGWEACS-NSHDSACASA-N 0 1 249.358 2.285 20 0 BEADMN CO[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000287078881 411459687 /nfs/dbraw/zinc/45/96/87/411459687.db2.gz VVKWSWKTRTYPDD-RXMQYKEDSA-N 0 1 247.653 2.158 20 0 BEADMN CC(C)O[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000404474951 411398252 /nfs/dbraw/zinc/39/82/52/411398252.db2.gz GENDVCUSBTUPTP-CYBMUJFWSA-N 0 1 249.358 2.053 20 0 BEADMN CC(C)O[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000404474952 411398341 /nfs/dbraw/zinc/39/83/41/411398341.db2.gz GENDVCUSBTUPTP-ZDUSSCGKSA-N 0 1 249.358 2.053 20 0 BEADMN COc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)sn1 ZINC000659955715 411398418 /nfs/dbraw/zinc/39/84/18/411398418.db2.gz MQMMQAOBDVCYSC-AOOOYVTPSA-N 0 1 238.356 2.240 20 0 BEADMN CCOCCNCc1ccc(F)c(F)c1F ZINC000657314684 411461207 /nfs/dbraw/zinc/46/12/07/411461207.db2.gz ZTRSKVNRZRVYIE-UHFFFAOYSA-N 0 1 233.233 2.230 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)[C@@H]1CCC[C@H](C)C1 ZINC000654484661 411404394 /nfs/dbraw/zinc/40/43/94/411404394.db2.gz YERSMSIBTRVSSQ-ZDEQEGDKSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@@H](C(=O)N1CC[C@@H](CC(C)(C)C)C1)N(C)C ZINC000654504606 411406095 /nfs/dbraw/zinc/40/60/95/411406095.db2.gz XRYPYZUOTBTOQS-RYUDHWBXSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@@H]1CN(CCOCc2ccccc2)C[C@@H](C)O1 ZINC000659814008 411461728 /nfs/dbraw/zinc/46/17/28/411461728.db2.gz LYYSEQLIESRKFK-ZIAGYGMSSA-N 0 1 249.354 2.312 20 0 BEADMN CCCCN(CC)Cc1cc(OC)no1 ZINC000659815880 411461916 /nfs/dbraw/zinc/46/19/16/411461916.db2.gz LZCQJCRTBGBNFW-UHFFFAOYSA-N 0 1 212.293 2.305 20 0 BEADMN C[C@@H]1CN(CCCC2CCC2)CCC1=O ZINC000660323506 411412584 /nfs/dbraw/zinc/41/25/84/411412584.db2.gz SGSXQWUCMJUEPP-LLVKDONJSA-N 0 1 209.333 2.478 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000405036995 411414936 /nfs/dbraw/zinc/41/49/36/411414936.db2.gz REHKHLUJGMQYDE-GHMZBOCLSA-N 0 1 233.311 2.121 20 0 BEADMN Fc1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657209192 411418785 /nfs/dbraw/zinc/41/87/85/411418785.db2.gz YUYOCJOUKFPEAY-OCCSQVGLSA-N 0 1 235.302 2.437 20 0 BEADMN CCc1nc([C@@H](C)Sc2ncccn2)n[nH]1 ZINC000657227138 411421099 /nfs/dbraw/zinc/42/10/99/411421099.db2.gz BOBBJBVTZGHWDM-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN COC(=O)c1ccoc1CN1C[C@H](C)[C@@H](C)C1 ZINC000267691378 411421700 /nfs/dbraw/zinc/42/17/00/411421700.db2.gz SCHUKIISRDPFSV-UWVGGRQHSA-N 0 1 237.299 2.154 20 0 BEADMN CNCc1cn(CCCCc2ccccc2)nn1 ZINC000122315859 411427080 /nfs/dbraw/zinc/42/70/80/411427080.db2.gz GOZPCAPYNZEQQL-UHFFFAOYSA-N 0 1 244.342 2.020 20 0 BEADMN C[C@@H](C(=O)N[C@]1(C)CCCC[C@@H]1C)N(C)C ZINC000654671854 411427539 /nfs/dbraw/zinc/42/75/39/411427539.db2.gz YGLOSQBNGFDNMM-GMXVVIOVSA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052881035 411430543 /nfs/dbraw/zinc/43/05/43/411430543.db2.gz RPUFSIBZQGOFGD-BXUZGUMPSA-N 0 1 234.343 2.165 20 0 BEADMN FC1(F)CC[C@H](c2nc([C@H]3CCCN3)no2)C1 ZINC000306013409 411430766 /nfs/dbraw/zinc/43/07/66/411430766.db2.gz PDICJHGKACVVJE-JGVFFNPUSA-N 0 1 243.257 2.397 20 0 BEADMN FC1(F)CC[C@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000306013413 411431145 /nfs/dbraw/zinc/43/11/45/411431145.db2.gz PDICJHGKACVVJE-YUMQZZPRSA-N 0 1 243.257 2.397 20 0 BEADMN CC(C)(C)CC[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000070618056 411431692 /nfs/dbraw/zinc/43/16/92/411431692.db2.gz NTAQWIZKIXDSSP-GFCCVEGCSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)C(C)(C)NC(=O)CN1CCC(C)(C)C1 ZINC000654702794 411433075 /nfs/dbraw/zinc/43/30/75/411433075.db2.gz QFXOGFWPCCKJRS-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1c[nH]c(CNCCOc2cccc(F)c2)n1 ZINC000657323008 411463510 /nfs/dbraw/zinc/46/35/10/411463510.db2.gz NMIPAVOTUVPTSS-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN CC[C@H](CC(=O)N1CCN[C@@H](C)C1)C(C)(C)C ZINC000637842601 411444351 /nfs/dbraw/zinc/44/43/51/411444351.db2.gz UXEWOAOSRHVVMC-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](CC(=O)N1CCN[C@H](C)C1)C(C)(C)C ZINC000637842600 411444441 /nfs/dbraw/zinc/44/44/41/411444441.db2.gz UXEWOAOSRHVVMC-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1ncc(CNCc2ccc(F)cc2)n1C ZINC000657286168 411444510 /nfs/dbraw/zinc/44/45/10/411444510.db2.gz SSAIHUFVUPHCOZ-UHFFFAOYSA-N 0 1 233.290 2.157 20 0 BEADMN FC1(F)CC[C@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655746300 411447848 /nfs/dbraw/zinc/44/78/48/411447848.db2.gz RSJDVFPFTFWLPO-VHSXEESVSA-N 0 1 241.285 2.495 20 0 BEADMN Cc1c[nH]c(CNCCOc2ccccc2F)n1 ZINC000657289742 411449989 /nfs/dbraw/zinc/44/99/89/411449989.db2.gz RMDKDMKRZTYLPW-UHFFFAOYSA-N 0 1 249.289 2.026 20 0 BEADMN c1csc(CNCc2cnc3n2CCC3)c1 ZINC000657290844 411452309 /nfs/dbraw/zinc/45/23/09/411452309.db2.gz UBWGRBGRYSBEOB-UHFFFAOYSA-N 0 1 233.340 2.181 20 0 BEADMN C[C@H](NCc1cnc2n1CCC2)c1cccnc1 ZINC000657291982 411453207 /nfs/dbraw/zinc/45/32/07/411453207.db2.gz FGYUZKOHMMKUNZ-NSHDSACASA-N 0 1 242.326 2.075 20 0 BEADMN Cc1cc(CNC(=O)C2CC(C(C)(C)C)C2)n[nH]1 ZINC000654972617 411468929 /nfs/dbraw/zinc/46/89/29/411468929.db2.gz HVZGDBMQXUMMAV-UHFFFAOYSA-N 0 1 249.358 2.407 20 0 BEADMN CC(C)n1ccnc1CNC[C@H]1CC[C@@H](C)O1 ZINC000657489387 411532870 /nfs/dbraw/zinc/53/28/70/411532870.db2.gz NRDOBBDNOOCGBX-VXGBXAGGSA-N 0 1 237.347 2.121 20 0 BEADMN CCc1nc(CNCC2(COC)CC2)cs1 ZINC000655837968 411533079 /nfs/dbraw/zinc/53/30/79/411533079.db2.gz YCRNNQVCEXADIS-UHFFFAOYSA-N 0 1 240.372 2.222 20 0 BEADMN COc1cc(CN(C)CC(C)C)sn1 ZINC000659857119 411480026 /nfs/dbraw/zinc/48/00/26/411480026.db2.gz KOIMFPDZJYHLQI-UHFFFAOYSA-N 0 1 214.334 2.240 20 0 BEADMN Cc1c[nH]c(CNC[C@H](C)Oc2ccccc2)n1 ZINC000657369085 411481492 /nfs/dbraw/zinc/48/14/92/411481492.db2.gz XNSKQWMROWTDAL-LBPRGKRZSA-N 0 1 245.326 2.275 20 0 BEADMN Cc1c[nH]c(CNC[C@@H](C)Oc2ccccc2)n1 ZINC000657369084 411481691 /nfs/dbraw/zinc/48/16/91/411481691.db2.gz XNSKQWMROWTDAL-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CC=CCC2)s1 ZINC000307619056 411482018 /nfs/dbraw/zinc/48/20/18/411482018.db2.gz VVYSCGIIVOGUKR-UHFFFAOYSA-N 0 1 223.297 2.208 20 0 BEADMN COCc1cc(CNC2(C(C)C)CC2)no1 ZINC000297486021 411482508 /nfs/dbraw/zinc/48/25/08/411482508.db2.gz SQSRXMRAYZRWCQ-UHFFFAOYSA-N 0 1 224.304 2.099 20 0 BEADMN CC[C@H]1C[C@@H](NCc2ccn(C(C)C)n2)CO1 ZINC000657371161 411484568 /nfs/dbraw/zinc/48/45/68/411484568.db2.gz OTVIUYORQVYKTG-OLZOCXBDSA-N 0 1 237.347 2.121 20 0 BEADMN Cc1c[nH]c(CN[C@H](C)Cc2c(C)noc2C)n1 ZINC000657371209 411484921 /nfs/dbraw/zinc/48/49/21/411484921.db2.gz QGZBDTPVXPOSPX-MRVPVSSYSA-N 0 1 248.330 2.044 20 0 BEADMN C=C/C(C)=C/CC(=O)N1CCN(C)C(C)(C)C1 ZINC000655052131 411485418 /nfs/dbraw/zinc/48/54/18/411485418.db2.gz OCDFYRUURREZDX-KPKJPENVSA-N 0 1 236.359 2.061 20 0 BEADMN COCC(C)(C)NCc1cc(C2CC2)no1 ZINC000659875778 411487158 /nfs/dbraw/zinc/48/71/58/411487158.db2.gz PSZPVGOTQARAIF-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CCSC1 ZINC000657378214 411487366 /nfs/dbraw/zinc/48/73/66/411487366.db2.gz IKFJTNKCKVKRBJ-SNVBAGLBSA-N 0 1 225.361 2.059 20 0 BEADMN Cc1c[nH]c(CNCCOCc2ccccc2)n1 ZINC000657385227 411489006 /nfs/dbraw/zinc/48/90/06/411489006.db2.gz ZTALEWOMEBLCBF-UHFFFAOYSA-N 0 1 245.326 2.025 20 0 BEADMN CC[C@H]1C[C@H](NCc2nc(C)c(C)s2)CO1 ZINC000657383820 411489440 /nfs/dbraw/zinc/48/94/40/411489440.db2.gz LCMBEBXJIMKGRG-QWRGUYRKSA-N 0 1 240.372 2.417 20 0 BEADMN Cc1nc(CN2CCC23CCOCC3)c(C)o1 ZINC000660420274 411492922 /nfs/dbraw/zinc/49/29/22/411492922.db2.gz PSHICURTXXBOPE-UHFFFAOYSA-N 0 1 236.315 2.046 20 0 BEADMN Cc1c[nH]c(CN[C@@H]2CCCC(F)(F)C2)n1 ZINC000657401363 411496330 /nfs/dbraw/zinc/49/63/30/411496330.db2.gz CJISPSVJVMDZKU-SECBINFHSA-N 0 1 229.274 2.386 20 0 BEADMN Cn1cnc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000659915878 411497030 /nfs/dbraw/zinc/49/70/30/411497030.db2.gz ITOAXEDYSQPBLB-LLVKDONJSA-N 0 1 231.299 2.003 20 0 BEADMN c1cc(CNc2ccc3c(n2)CCC3)no1 ZINC000127608955 411497160 /nfs/dbraw/zinc/49/71/60/411497160.db2.gz CNZJLGHQVYIXDJ-UHFFFAOYSA-N 0 1 215.256 2.170 20 0 BEADMN CCCC1(c2nc([C@H]3CCCN3)no2)CC1 ZINC000309472903 411497525 /nfs/dbraw/zinc/49/75/25/411497525.db2.gz XLCZNJFUYMIKMF-SECBINFHSA-N 0 1 221.304 2.326 20 0 BEADMN CCc1nnc([C@H](C)N(CC)CC2CC2)[nH]1 ZINC000659922050 411499265 /nfs/dbraw/zinc/49/92/65/411499265.db2.gz ZYEDAAKQPDSMAE-VIFPVBQESA-N 0 1 222.336 2.160 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C1CCC1 ZINC000655129017 411501155 /nfs/dbraw/zinc/50/11/55/411501155.db2.gz KLCHUCJPAASXFY-JTQLQIEISA-N 0 1 249.358 2.283 20 0 BEADMN C[C@]1(NCc2ccc(F)c(F)c2F)CCOC1 ZINC000657416396 411501294 /nfs/dbraw/zinc/50/12/94/411501294.db2.gz CAPCOLMSAWWWLD-LBPRGKRZSA-N 0 1 245.244 2.373 20 0 BEADMN CC1(C)C[C@H]([N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CO1 ZINC000660077857 411534244 /nfs/dbraw/zinc/53/42/44/411534244.db2.gz QOWOZFALETTWOD-NEPJUHHUSA-N 0 1 249.358 2.157 20 0 BEADMN Cc1c[nH]c(CNC[C@H](C)c2nccs2)n1 ZINC000657436388 411509250 /nfs/dbraw/zinc/50/92/50/411509250.db2.gz TYNLGRHQLZRRKS-QMMMGPOBSA-N 0 1 236.344 2.068 20 0 BEADMN CC(C)=CCCNCc1cn(C2CCC2)nn1 ZINC000657446645 411513574 /nfs/dbraw/zinc/51/35/74/411513574.db2.gz FEOGLGUIXBIPIN-UHFFFAOYSA-N 0 1 234.347 2.449 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccoc1 ZINC000334452004 411516018 /nfs/dbraw/zinc/51/60/18/411516018.db2.gz XGAOWJKIDMGUFZ-LBPRGKRZSA-N 0 1 231.299 2.180 20 0 BEADMN Cn1cc2c(n1)CCC[C@H]2NCc1ccoc1 ZINC000334452003 411516442 /nfs/dbraw/zinc/51/64/42/411516442.db2.gz XGAOWJKIDMGUFZ-GFCCVEGCSA-N 0 1 231.299 2.180 20 0 BEADMN Cc1ccc([C@@H]2CCCN2C(=O)CN(C)C)cc1 ZINC000334457228 411516980 /nfs/dbraw/zinc/51/69/80/411516980.db2.gz IHLUZWQYSGUORJ-AWEZNQCLSA-N 0 1 246.354 2.220 20 0 BEADMN COCC1(NCc2nccn2C(C)C)CCC1 ZINC000657461942 411517830 /nfs/dbraw/zinc/51/78/30/411517830.db2.gz IJIJBJDDYJUMIU-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN C[C@H](CF)NCc1c(C2CCC2)cnn1C ZINC000657466781 411519868 /nfs/dbraw/zinc/51/98/68/411519868.db2.gz PFZZEQAPTAEMFX-SECBINFHSA-N 0 1 225.311 2.135 20 0 BEADMN CC(C)=CCCN(C)Cc1cnccn1 ZINC000659990375 411521708 /nfs/dbraw/zinc/52/17/08/411521708.db2.gz AHEQSAWPONLYIH-UHFFFAOYSA-N 0 1 205.305 2.265 20 0 BEADMN CN(CCC1CCC1)Cc1cnccn1 ZINC000659991423 411522371 /nfs/dbraw/zinc/52/23/71/411522371.db2.gz QKYOUNQUTBKGFO-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CCc1nc(C)c(CN[C@H]2CO[C@@H](CC)C2)o1 ZINC000657473988 411523967 /nfs/dbraw/zinc/52/39/67/411523967.db2.gz WXEQOGVFQZPHQL-MNOVXSKESA-N 0 1 238.331 2.203 20 0 BEADMN CN(Cc1nnc2ccccn21)CC1CC=CC1 ZINC000659999876 411524691 /nfs/dbraw/zinc/52/46/91/411524691.db2.gz YCURCRPVUAUFDU-UHFFFAOYSA-N 0 1 242.326 2.127 20 0 BEADMN CC/C=C\CNCc1c(C(F)(F)F)cnn1C ZINC000657478764 411525555 /nfs/dbraw/zinc/52/55/55/411525555.db2.gz FGHNKLSUOQHNEV-PLNGDYQASA-N 0 1 247.264 2.495 20 0 BEADMN CC/C=C\CNCc1cc(C(F)(F)F)nn1C ZINC000657480356 411527993 /nfs/dbraw/zinc/52/79/93/411527993.db2.gz WDHMDBJVCIGTJA-PLNGDYQASA-N 0 1 247.264 2.495 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@H](C)c2nccn2CC)CO1 ZINC000657483883 411529112 /nfs/dbraw/zinc/52/91/12/411529112.db2.gz VOCWFHXNMKODPX-IJLUTSLNSA-N 0 1 237.347 2.121 20 0 BEADMN CCN1CCN(Cc2ccc(Cl)o2)CC1 ZINC000336332449 169995640 /nfs/dbraw/zinc/99/56/40/169995640.db2.gz XDUGCLKNSBQFEA-UHFFFAOYSA-N 0 1 228.723 2.071 20 0 BEADMN Cc1cnc(CCNCc2cscn2)c(C)c1 ZINC000655828381 411530500 /nfs/dbraw/zinc/53/05/00/411530500.db2.gz CUZSRRQZOBZZGN-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN CC(C)n1ccnc1CN[C@H]1CS[C@H](C)C1 ZINC000657491563 411532377 /nfs/dbraw/zinc/53/23/77/411532377.db2.gz XDBXCOYIDZONCV-GHMZBOCLSA-N 0 1 239.388 2.448 20 0 BEADMN COc1cc(CN2CCSCC[C@@H]2C)on1 ZINC000660404054 411465103 /nfs/dbraw/zinc/46/51/03/411465103.db2.gz WSLVLYUGSHWLGI-VIFPVBQESA-N 0 1 242.344 2.011 20 0 BEADMN CCc1nc([C@H](C)N(C)Cc2ccc(C)o2)n[nH]1 ZINC000659826969 411465289 /nfs/dbraw/zinc/46/52/89/411465289.db2.gz MGJJELOQMCTATP-JTQLQIEISA-N 0 1 248.330 2.462 20 0 BEADMN C[C@@H]1C[C@H](NCc2ccc(F)c(F)c2F)CO1 ZINC000657500490 411538406 /nfs/dbraw/zinc/53/84/06/411538406.db2.gz OPTFXTGQTNZDEW-APPZFPTMSA-N 0 1 245.244 2.371 20 0 BEADMN Cc1c[nH]c(CN[C@H]2C[C@H](OC(C)(C)C)C2)n1 ZINC000657504631 411538861 /nfs/dbraw/zinc/53/88/61/411538861.db2.gz LBNMYHLVIAFLGI-XYPYZODXSA-N 0 1 237.347 2.154 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)CC2(C)CC2)C[C@H]1C ZINC000334491272 170028175 /nfs/dbraw/zinc/02/81/75/170028175.db2.gz WJRQVGNKLVQARF-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H](NCc1nc(C)c[nH]1)[C@H]1CCCCO1 ZINC000657506292 411539861 /nfs/dbraw/zinc/53/98/61/411539861.db2.gz FMACCQMKUJVBBI-VXGBXAGGSA-N 0 1 237.347 2.155 20 0 BEADMN CCc1nc([C@H](C)N2CC=C(C)CC2)n[nH]1 ZINC000660128320 411542244 /nfs/dbraw/zinc/54/22/44/411542244.db2.gz UOOSUYPKMCWIOQ-JTQLQIEISA-N 0 1 220.320 2.080 20 0 BEADMN CCNC(=O)CN1CCC[C@H]1c1cccs1 ZINC000072802848 170059538 /nfs/dbraw/zinc/05/95/38/170059538.db2.gz CTOJLKARJPMSAL-JTQLQIEISA-N 0 1 238.356 2.021 20 0 BEADMN CCNC(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000035142152 170066024 /nfs/dbraw/zinc/06/60/24/170066024.db2.gz HJDDCGRRMMKZAD-SNVBAGLBSA-N 0 1 246.310 2.220 20 0 BEADMN CCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339243303 170089974 /nfs/dbraw/zinc/08/99/74/170089974.db2.gz YTVCJFWINFGKGJ-CYBMUJFWSA-N 0 1 234.343 2.033 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCOc2ccccc2C1 ZINC000216602327 411551552 /nfs/dbraw/zinc/55/15/52/411551552.db2.gz KHZUQWFEXYLQGV-LBPRGKRZSA-N 0 1 249.310 2.134 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCOc2ccccc2C1 ZINC000216602372 411551714 /nfs/dbraw/zinc/55/17/14/411551714.db2.gz KHZUQWFEXYLQGV-GFCCVEGCSA-N 0 1 249.310 2.134 20 0 BEADMN CCNCc1csc(C(F)(F)F)n1 ZINC000095091531 170130797 /nfs/dbraw/zinc/13/07/97/170130797.db2.gz XOACYRKQJWZVBH-UHFFFAOYSA-N 0 1 210.224 2.271 20 0 BEADMN CC(C)CCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000657569407 411553713 /nfs/dbraw/zinc/55/37/13/411553713.db2.gz MPPQZRJUZRSIGG-MNOVXSKESA-N 0 1 222.336 2.310 20 0 BEADMN CCc1nnc([C@H](C)N2CCC3(CC3)CC2)[nH]1 ZINC000660144555 411544753 /nfs/dbraw/zinc/54/47/53/411544753.db2.gz GQHMJMAPVJNDDI-JTQLQIEISA-N 0 1 234.347 2.304 20 0 BEADMN c1ccc2nc(CN3CC=CCC3)cnc2c1 ZINC000660222786 411556270 /nfs/dbraw/zinc/55/62/70/411556270.db2.gz ZVZWQPHTMCZFJV-UHFFFAOYSA-N 0 1 225.295 2.392 20 0 BEADMN CCc1nc([C@@H](C)N2CC[C@H](C(F)F)C2)n[nH]1 ZINC000660146275 411545751 /nfs/dbraw/zinc/54/57/51/411545751.db2.gz FPXHEKQVMPSPDT-SFYZADRCSA-N 0 1 244.289 2.015 20 0 BEADMN Cc1cc(CN2CC[C@@H](C(F)F)C2)nc(C)n1 ZINC000660146182 411545870 /nfs/dbraw/zinc/54/58/70/411545870.db2.gz DOBWTUKBQHXYBM-SNVBAGLBSA-N 0 1 241.285 2.180 20 0 BEADMN CCC[C@H]1C(=O)NCCN1CCCC1CCC1 ZINC000660156753 411547848 /nfs/dbraw/zinc/54/78/48/411547848.db2.gz RGVXAWRLILBEKD-ZDUSSCGKSA-N 0 1 238.375 2.167 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](C3CC3)C2)[nH]1 ZINC000660155554 411548190 /nfs/dbraw/zinc/54/81/90/411548190.db2.gz POTHIGLUYPVQOJ-KOLCDFICSA-N 0 1 234.347 2.160 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCCSC ZINC000339785686 170185988 /nfs/dbraw/zinc/18/59/88/170185988.db2.gz KMENBVYGNSDSOG-UHFFFAOYSA-N 0 1 233.377 2.013 20 0 BEADMN CCOC(=O)CN(C)C1CCC(C)CC1 ZINC000042225890 170214040 /nfs/dbraw/zinc/21/40/40/170214040.db2.gz GDRRZHSMSPYUDY-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CN(C)CC1CCC(C)CC1 ZINC000125054111 170215257 /nfs/dbraw/zinc/21/52/57/170215257.db2.gz LCGXFOLZYWJFEM-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CCOC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000342124468 170216115 /nfs/dbraw/zinc/21/61/15/170216115.db2.gz JSZINAJHTFUPDS-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCOC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000371618040 170221621 /nfs/dbraw/zinc/22/16/21/170221621.db2.gz CMRYEILAFKYOBM-WCQYABFASA-N 0 1 225.332 2.062 20 0 BEADMN OC/C=C/CNCc1cscc1Cl ZINC000657594185 411559698 /nfs/dbraw/zinc/55/96/98/411559698.db2.gz ZTFRIEKFGUGAHY-OWOJBTEDSA-N 0 1 217.721 2.040 20 0 BEADMN CCc1cccc(F)c1CNC/C=C\CO ZINC000657593856 411559901 /nfs/dbraw/zinc/55/99/01/411559901.db2.gz LUBAUUPRICCKKL-ARJAWSKDSA-N 0 1 223.291 2.026 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CCCCCF ZINC000341878115 170265969 /nfs/dbraw/zinc/26/59/69/170265969.db2.gz SGZOGQBDNGCRKY-JTQLQIEISA-N 0 1 219.300 2.010 20 0 BEADMN C[C@@H](NCc1c(F)cccc1F)C1(CO)CC1 ZINC000657602594 411561280 /nfs/dbraw/zinc/56/12/80/411561280.db2.gz KKAHJAUPKNGITP-SECBINFHSA-N 0 1 241.281 2.215 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC2(CC2)CC1 ZINC000378327292 170271200 /nfs/dbraw/zinc/27/12/00/170271200.db2.gz RKAXCONBXRXPFP-NSHDSACASA-N 0 1 225.332 2.204 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(C)=C(C)C1 ZINC000361620361 170271743 /nfs/dbraw/zinc/27/17/43/170271743.db2.gz QRWUMIRDJUDFFA-LBPRGKRZSA-N 0 1 225.332 2.370 20 0 BEADMN Cc1nnc([C@H](C)NC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000660271145 411563411 /nfs/dbraw/zinc/56/34/11/411563411.db2.gz GDJAYMYRVLBHTG-ZDDJMSTPSA-N 0 1 235.331 2.465 20 0 BEADMN Cc1ccoc1CNCCO[C@H]1CC1(F)F ZINC000657619302 411565125 /nfs/dbraw/zinc/56/51/25/411565125.db2.gz UTPPZUGUARIWSX-JTQLQIEISA-N 0 1 231.242 2.102 20 0 BEADMN CCn1nncc1CNCc1cc(C)cc(C)c1 ZINC000657626191 411565661 /nfs/dbraw/zinc/56/56/61/411565661.db2.gz QQUBWHUWYHCHSN-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CCOC(=O)c1csc([C@H]2CCCCN2)n1 ZINC000075869196 170305329 /nfs/dbraw/zinc/30/53/29/170305329.db2.gz VXDFJENZUZPYPV-MRVPVSSYSA-N 0 1 240.328 2.134 20 0 BEADMN CCOC(C)(C)CN[C@H](C)c1cc(C)n(C)n1 ZINC000337494776 170313583 /nfs/dbraw/zinc/31/35/83/170313583.db2.gz XWBDUJHPQSTCHX-LLVKDONJSA-N 0 1 239.363 2.194 20 0 BEADMN CCOC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000340464825 170319820 /nfs/dbraw/zinc/31/98/20/170319820.db2.gz KZHXBDZXPQDKJD-NSHDSACASA-N 0 1 237.347 2.410 20 0 BEADMN C[C@@H]1CCC[C@H](CNCc2cscn2)O1 ZINC000657667378 411573327 /nfs/dbraw/zinc/57/33/27/411573327.db2.gz VNZNOFPSWSVHKU-MWLCHTKSSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1cnc(CNC[C@H]2CCC[C@@H](C)O2)s1 ZINC000657670624 411574694 /nfs/dbraw/zinc/57/46/94/411574694.db2.gz VUOBMQJZBOCCGQ-MWLCHTKSSA-N 0 1 240.372 2.499 20 0 BEADMN CCOCC(C)(C)NCc1cc(F)ncc1F ZINC000295609869 170354984 /nfs/dbraw/zinc/35/49/84/170354984.db2.gz DPUWGUAFPVNXMG-UHFFFAOYSA-N 0 1 244.285 2.265 20 0 BEADMN CCOCC(C)(C)NCc1oc(CC)nc1C ZINC000339361535 170356318 /nfs/dbraw/zinc/35/63/18/170356318.db2.gz JFHSRQMSSWWJPH-UHFFFAOYSA-N 0 1 240.347 2.450 20 0 BEADMN CC(C)(F)CCNCc1nccs1 ZINC000657644456 411568169 /nfs/dbraw/zinc/56/81/69/411568169.db2.gz KEJOFWBBBJWTMZ-UHFFFAOYSA-N 0 1 202.298 2.371 20 0 BEADMN CC(C)(C)OCCCNCc1nccs1 ZINC000657638550 411568302 /nfs/dbraw/zinc/56/83/02/411568302.db2.gz VDGSPVSIISQBMX-UHFFFAOYSA-N 0 1 228.361 2.438 20 0 BEADMN CO[C@@H](CN1CCC(=O)[C@@H](C)C1)C1CCCC1 ZINC000660322592 411568486 /nfs/dbraw/zinc/56/84/86/411568486.db2.gz MDIOWPUUMRGYND-FZMZJTMJSA-N 0 1 239.359 2.103 20 0 BEADMN CCOCCC[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010599 170375753 /nfs/dbraw/zinc/37/57/53/170375753.db2.gz KXCRDUQTOHDOHT-UHFFFAOYSA-N 0 1 249.310 2.127 20 0 BEADMN CCOCCN(C)Cc1cccc(C(C)=O)c1 ZINC000295885004 170389913 /nfs/dbraw/zinc/38/99/13/170389913.db2.gz BAVOREDMJHMLRA-UHFFFAOYSA-N 0 1 235.327 2.358 20 0 BEADMN CCOCCN(C)Cc1ccc(C(C)=O)cc1 ZINC000296302602 170390330 /nfs/dbraw/zinc/39/03/30/170390330.db2.gz MUCVBKISWTYVRH-UHFFFAOYSA-N 0 1 235.327 2.358 20 0 BEADMN CCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660762923 411623257 /nfs/dbraw/zinc/62/32/57/411623257.db2.gz YYCJCSLUWCSVJX-GFCCVEGCSA-N 0 1 230.315 2.236 20 0 BEADMN COCCCCN(C)Cc1cc(OC)ns1 ZINC000660825254 411646775 /nfs/dbraw/zinc/64/67/75/411646775.db2.gz GTNXOCOXLPDJGU-UHFFFAOYSA-N 0 1 244.360 2.010 20 0 BEADMN COc1cc(CN2CCS[C@H](C)CC2)on1 ZINC000660412677 411581630 /nfs/dbraw/zinc/58/16/30/411581630.db2.gz KVMIKNHZLISEQL-SECBINFHSA-N 0 1 242.344 2.011 20 0 BEADMN Cn1cnc(CN2CCSC(C)(C)CC2)c1 ZINC000660434926 411584370 /nfs/dbraw/zinc/58/43/70/411584370.db2.gz DABUYILAHORORE-UHFFFAOYSA-N 0 1 239.388 2.138 20 0 BEADMN Cn1ncc(C2CCC2)c1CNCc1cc[nH]c1 ZINC000657719568 411587111 /nfs/dbraw/zinc/58/71/11/411587111.db2.gz UIZFQBJHOBWLJL-UHFFFAOYSA-N 0 1 244.342 2.306 20 0 BEADMN Cc1ccncc1CN(C)[C@@H]1COC(C)(C)C1 ZINC000660453721 411587302 /nfs/dbraw/zinc/58/73/02/411587302.db2.gz UHUFLAJHGVSCDJ-ZDUSSCGKSA-N 0 1 234.343 2.389 20 0 BEADMN Cc1nc(CN[C@]2(C)CC2(C)C)[nH]c1C ZINC000657761269 411590940 /nfs/dbraw/zinc/59/09/40/411590940.db2.gz IAUFMTQMWIJZJA-GFCCVEGCSA-N 0 1 207.321 2.305 20 0 BEADMN COc1cccc(CN(C)CCCO)c1Cl ZINC000660478505 411591216 /nfs/dbraw/zinc/59/12/16/411591216.db2.gz SAJVCBIVOUROFJ-UHFFFAOYSA-N 0 1 243.734 2.163 20 0 BEADMN CO[C@@H]1CCN(Cc2nc(C)oc2C)[C@@H](C)C1 ZINC000660480596 411591358 /nfs/dbraw/zinc/59/13/58/411591358.db2.gz WACWRDFHDFYBEJ-JOYOIKCWSA-N 0 1 238.331 2.291 20 0 BEADMN CO[C@@H](CNCc1nc(C)c[nH]1)C1CCCC1 ZINC000657768700 411593537 /nfs/dbraw/zinc/59/35/37/411593537.db2.gz OBBFLTJKXOKMIS-LBPRGKRZSA-N 0 1 237.347 2.013 20 0 BEADMN CO[C@@H](CNCc1nccs1)C1CCCC1 ZINC000657768178 411593941 /nfs/dbraw/zinc/59/39/41/411593941.db2.gz XBHUSHJZWYNTCE-NSHDSACASA-N 0 1 240.372 2.438 20 0 BEADMN CCC(CC)(CCO)NCc1coc(C)n1 ZINC000660489533 411594036 /nfs/dbraw/zinc/59/40/36/411594036.db2.gz XQRIQTSMQUQWMO-UHFFFAOYSA-N 0 1 226.320 2.014 20 0 BEADMN COc1nccnc1CNC1(CC(C)C)CC1 ZINC000657774824 411594354 /nfs/dbraw/zinc/59/43/54/411594354.db2.gz LRFDIRKFFGJTAZ-UHFFFAOYSA-N 0 1 235.331 2.154 20 0 BEADMN Fc1ccc2c(c1)C[C@@H]1[C@H](NCc3cocn3)[C@H]21 ZINC000657788048 411596086 /nfs/dbraw/zinc/59/60/86/411596086.db2.gz GYIUQLMBINZNBF-MJBXVCDLSA-N 0 1 244.269 2.242 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(F)c(F)cc1F ZINC000657787950 411596106 /nfs/dbraw/zinc/59/61/06/411596106.db2.gz CQJVFDHVHFECFK-NEPJUHHUSA-N 0 1 245.244 2.371 20 0 BEADMN COc1ccc(C)cc1CN[C@@H]1C[C@]1(C)OC ZINC000657788615 411596258 /nfs/dbraw/zinc/59/62/58/411596258.db2.gz KDZOCHRQZGUMTG-KGLIPLIRSA-N 0 1 235.327 2.271 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cc(F)ccc1F ZINC000657788703 411596472 /nfs/dbraw/zinc/59/64/72/411596472.db2.gz SRDDJPQWPXPQPC-NEPJUHHUSA-N 0 1 227.254 2.232 20 0 BEADMN CO[C@@]1(C)C[C@H]1NCc1cccc(C)c1F ZINC000657790161 411596855 /nfs/dbraw/zinc/59/68/55/411596855.db2.gz OLXDOKGGXQVPPY-YPMHNXCESA-N 0 1 223.291 2.401 20 0 BEADMN COc1cc(CN2CCC3(CCC3)CC2)on1 ZINC000660543898 411598218 /nfs/dbraw/zinc/59/82/18/411598218.db2.gz NYYAAGSEBWJVCF-UHFFFAOYSA-N 0 1 236.315 2.449 20 0 BEADMN C[C@H]1CN(C)C[C@H]1NCC(F)(F)C(C)(C)C ZINC000657794667 411599915 /nfs/dbraw/zinc/59/99/15/411599915.db2.gz ZQFMMPALLGOBAT-VHSXEESVSA-N 0 1 234.334 2.208 20 0 BEADMN COc1cccc(CNCc2cnn(C)c2)c1C ZINC000657805299 411600013 /nfs/dbraw/zinc/60/00/13/411600013.db2.gz UOIWAAMHRXJXNT-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CC(C)(C)c1cnc(CN[C@H]2C[C@H](O)C2)s1 ZINC000657809315 411601416 /nfs/dbraw/zinc/60/14/16/411601416.db2.gz HVZDJHUMIZSLID-KYZUINATSA-N 0 1 240.372 2.054 20 0 BEADMN FC(F)(F)[C@@H]1CCN1CCN1CCCCC1 ZINC000660569121 411601707 /nfs/dbraw/zinc/60/17/07/411601707.db2.gz CANOLTGHSHEHMB-JTQLQIEISA-N 0 1 236.281 2.109 20 0 BEADMN Cc1nc(CN2CC[C@H](c3ccncc3)C2)co1 ZINC000660575382 411602411 /nfs/dbraw/zinc/60/24/11/411602411.db2.gz SWSYLYRYVNMXML-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN C[C@@H](O)[C@@H](NCc1cncs1)c1ccccc1 ZINC000657819808 411606498 /nfs/dbraw/zinc/60/64/98/411606498.db2.gz UEXWOZWJJRXDLA-ZWNOBZJWSA-N 0 1 248.351 2.355 20 0 BEADMN c1cc2n(n1)CCC[C@@H]2NCc1ccoc1 ZINC000657844805 411610762 /nfs/dbraw/zinc/61/07/62/411610762.db2.gz KCXNGJUAAXPYOF-NSHDSACASA-N 0 1 217.272 2.101 20 0 BEADMN CC(C)c1cccc(CN2CCOC[C@H](O)C2)c1 ZINC000660669891 411616506 /nfs/dbraw/zinc/61/65/06/411616506.db2.gz SMWKXUOTXXWAQW-OAHLLOKOSA-N 0 1 249.354 2.003 20 0 BEADMN CC[C@H](C)N(CC)Cc1cn(CC2CC2)nn1 ZINC000661104390 411708355 /nfs/dbraw/zinc/70/83/55/411708355.db2.gz LTUAHRZUXCYYCL-NSHDSACASA-N 0 1 236.363 2.309 20 0 BEADMN CC[C@@H](C)N(CC)Cc1cn(CC2CC2)nn1 ZINC000661104389 411709556 /nfs/dbraw/zinc/70/95/56/411709556.db2.gz LTUAHRZUXCYYCL-LLVKDONJSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@H]1CCC[C@H](C[N@@H+](C)Cc2n[n-]c(=O)o2)C1 ZINC000660843633 411653867 /nfs/dbraw/zinc/65/38/67/411653867.db2.gz BKKPLWCESVVJKC-UWVGGRQHSA-N 0 1 239.319 2.033 20 0 BEADMN C[C@H]1CCCC[C@H]1C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660844602 411655785 /nfs/dbraw/zinc/65/57/85/411655785.db2.gz QNSKJTCRSMFRKA-UWVGGRQHSA-N 0 1 239.319 2.033 20 0 BEADMN CCCC[C@@H](CC)C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660845199 411657743 /nfs/dbraw/zinc/65/77/43/411657743.db2.gz KTTSYBMCBKHPHA-SNVBAGLBSA-N 0 1 241.335 2.423 20 0 BEADMN Cc1cccc(C)c1C[N@H+](C)Cc1n[n-]c(=O)o1 ZINC000660847917 411658322 /nfs/dbraw/zinc/65/83/22/411658322.db2.gz FGSYJGNHNCTHOU-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1cccc(C)c1C[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660847917 411658329 /nfs/dbraw/zinc/65/83/29/411658329.db2.gz FGSYJGNHNCTHOU-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN Cc1nc(CN2CC[C@H](c3cccnc3)C2)co1 ZINC000660903042 411664779 /nfs/dbraw/zinc/66/47/79/411664779.db2.gz UMCFLKADKFOIHZ-ZDUSSCGKSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1ccc(CN2CC[C@@H](C(F)F)C2)nc1 ZINC000663463460 411665028 /nfs/dbraw/zinc/66/50/28/411665028.db2.gz CWNBRLGZBIIFFP-SNVBAGLBSA-N 0 1 226.270 2.477 20 0 BEADMN CCC[C@H](C)[C@H](CO)NCc1nc(C)oc1C ZINC000660911712 411669210 /nfs/dbraw/zinc/66/92/10/411669210.db2.gz IVIUDHOIBSFHLY-ZANVPECISA-N 0 1 240.347 2.178 20 0 BEADMN COc1cc(CN2CCC23CCCC3)on1 ZINC000660910098 411669239 /nfs/dbraw/zinc/66/92/39/411669239.db2.gz ULDFFBUHCOIJIZ-UHFFFAOYSA-N 0 1 222.288 2.202 20 0 BEADMN CC1(C)CCCC[C@@H]1CN1CCn2nncc2C1 ZINC000660924094 411674794 /nfs/dbraw/zinc/67/47/94/411674794.db2.gz UHMGXYHIXLYJHC-GFCCVEGCSA-N 0 1 248.374 2.310 20 0 BEADMN CCC(C)(C)NC(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000660930635 411680716 /nfs/dbraw/zinc/68/07/16/411680716.db2.gz VAXUIMOGTYJRBN-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)c1nc(CN2C[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000660934330 411684974 /nfs/dbraw/zinc/68/49/74/411684974.db2.gz PTFRDKYYOGRYBW-QWRGUYRKSA-N 0 1 234.347 2.303 20 0 BEADMN CN(CCCCOC(C)(C)C)Cc1c[nH]cn1 ZINC000661089266 411699246 /nfs/dbraw/zinc/69/92/46/411699246.db2.gz ZTYVKNSHYLYCML-UHFFFAOYSA-N 0 1 239.363 2.437 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nc(COC)no1 ZINC000661231389 411737419 /nfs/dbraw/zinc/73/74/19/411737419.db2.gz MHFHUXQKHZTNCQ-SECBINFHSA-N 0 1 241.335 2.130 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nnc(C)o1 ZINC000661230784 411738112 /nfs/dbraw/zinc/73/81/12/411738112.db2.gz DMNJRLXKSGFNSW-MRVPVSSYSA-N 0 1 211.309 2.292 20 0 BEADMN C[C@H](O)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661509999 411792390 /nfs/dbraw/zinc/79/23/90/411792390.db2.gz SAZZDZQNORLORJ-GXFFZTMASA-N 0 1 223.291 2.343 20 0 BEADMN CCc1nc(CN2CCC(C3CCC3)CC2)n[nH]1 ZINC000661375390 411758159 /nfs/dbraw/zinc/75/81/59/411758159.db2.gz ZEDFOJNMKXPIMO-UHFFFAOYSA-N 0 1 248.374 2.379 20 0 BEADMN Cn1ccc(CN2CCC(C3CCC3)CC2)n1 ZINC000661375185 411758331 /nfs/dbraw/zinc/75/83/31/411758331.db2.gz WKHVAMXLVVUONY-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN COCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661511865 411793421 /nfs/dbraw/zinc/79/34/21/411793421.db2.gz JKOSNLBXEFGJKV-LBPRGKRZSA-N 0 1 209.264 2.219 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCc1ccncc1 ZINC000661463263 411780528 /nfs/dbraw/zinc/78/05/28/411780528.db2.gz OLCTVOSQGBVUKG-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H]1COC2(CCC2)CN1CCc1ccccn1 ZINC000661471419 411785579 /nfs/dbraw/zinc/78/55/79/411785579.db2.gz DZERADXYYLDUSD-CYBMUJFWSA-N 0 1 246.354 2.268 20 0 BEADMN C[C@@H](O)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661510001 411791324 /nfs/dbraw/zinc/79/13/24/411791324.db2.gz SAZZDZQNORLORJ-ZWNOBZJWSA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H]1CN(CCc2ccccc2)C[C@@H](C)C1=O ZINC000661547654 411799098 /nfs/dbraw/zinc/79/90/98/411799098.db2.gz ZRIBYUBOKWMYSW-CHWSQXEVSA-N 0 1 231.339 2.386 20 0 BEADMN CC[C@@H](C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000358777260 170686242 /nfs/dbraw/zinc/68/62/42/170686242.db2.gz FAYXESAQYXHGRC-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CCCC[C@@H]1COCCc1c[nH]nn1 ZINC000664046928 411826655 /nfs/dbraw/zinc/82/66/55/411826655.db2.gz SYSQPGPIEUAJNE-GHMZBOCLSA-N 0 1 223.320 2.190 20 0 BEADMN Clc1sccc1COCCc1c[nH]nn1 ZINC000664046799 411827308 /nfs/dbraw/zinc/82/73/08/411827308.db2.gz QSJONYKUEVJKMT-UHFFFAOYSA-N 0 1 243.719 2.279 20 0 BEADMN C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000661707360 411851305 /nfs/dbraw/zinc/85/13/05/411851305.db2.gz KMDANRBKESVEFN-FZMZJTMJSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@]12COC[C@@H]1CN(Cc1cc(C3CC3)no1)C2 ZINC000661707360 411851309 /nfs/dbraw/zinc/85/13/09/411851309.db2.gz KMDANRBKESVEFN-FZMZJTMJSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000661707362 411851793 /nfs/dbraw/zinc/85/17/93/411851793.db2.gz KMDANRBKESVEFN-SMDDNHRTSA-N 0 1 248.326 2.020 20 0 BEADMN C[C@@]12COC[C@@H]1CN(Cc1cc(C3CC3)no1)C2 ZINC000661707362 411851795 /nfs/dbraw/zinc/85/17/95/411851795.db2.gz KMDANRBKESVEFN-SMDDNHRTSA-N 0 1 248.326 2.020 20 0 BEADMN O[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000661714004 411853748 /nfs/dbraw/zinc/85/37/48/411853748.db2.gz YMMYPMKGQAFDJR-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN O[C@]12C[C@H]1CN(Cc1ccc(Cl)cc1)CC2 ZINC000661714004 411853752 /nfs/dbraw/zinc/85/37/52/411853752.db2.gz YMMYPMKGQAFDJR-WCQYABFASA-N 0 1 237.730 2.297 20 0 BEADMN C[C@@H]1CCCC[C@H]1CN(C)Cc1cn(C)nn1 ZINC000661743111 411862629 /nfs/dbraw/zinc/86/26/29/411862629.db2.gz DDFISIRPUKQWSB-NEPJUHHUSA-N 0 1 236.363 2.073 20 0 BEADMN CC[C@H](C)CCNc1ncnc2[nH]cnc21 ZINC000664230771 411890459 /nfs/dbraw/zinc/89/04/59/411890459.db2.gz RLAMDSUWSDNDRQ-QMMMGPOBSA-N 0 1 219.292 2.153 20 0 BEADMN CCc1nocc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852713 411903253 /nfs/dbraw/zinc/90/32/53/411903253.db2.gz DQZRORAHKDOBAS-MNOVXSKESA-N 0 1 238.331 2.236 20 0 BEADMN CCc1nocc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852713 411903255 /nfs/dbraw/zinc/90/32/55/411903255.db2.gz DQZRORAHKDOBAS-MNOVXSKESA-N 0 1 238.331 2.236 20 0 BEADMN CO[C@@H](C)CNc1cc[nH+]c2c([O-])cccc12 ZINC000664310488 411919258 /nfs/dbraw/zinc/91/92/58/411919258.db2.gz FMRDKPKMOWPERM-VIFPVBQESA-N 0 1 232.283 2.387 20 0 BEADMN CN(CC1CN(C)C1)c1nc2ccccc2s1 ZINC000664329845 411922769 /nfs/dbraw/zinc/92/27/69/411922769.db2.gz FOZWIHTWEADTHZ-UHFFFAOYSA-N 0 1 247.367 2.294 20 0 BEADMN Cc1csc(CN2CC[C@H]3C[C@H]3C2)n1 ZINC000661968440 411925920 /nfs/dbraw/zinc/92/59/20/411925920.db2.gz XZBIIOVERMGSDB-UWVGGRQHSA-N 0 1 208.330 2.293 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@H]3C[C@H]3C2)c(C)n1C ZINC000661972598 411929521 /nfs/dbraw/zinc/92/95/21/411929521.db2.gz LOGSMUMFXALUJV-STQMWFEESA-N 0 1 246.354 2.166 20 0 BEADMN Cc1ccnc(NC[C@H](CO)CC2CC2)c1 ZINC000664461202 411964810 /nfs/dbraw/zinc/96/48/10/411964810.db2.gz KBSLVFUGLMOQHF-GFCCVEGCSA-N 0 1 220.316 2.211 20 0 BEADMN c1n[nH]cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000662066076 411967481 /nfs/dbraw/zinc/96/74/81/411967481.db2.gz YCYDLIWKVARAIO-CQSZACIVSA-N 0 1 243.310 2.063 20 0 BEADMN Fc1ccc(F)c(CN2CCC3(COC3)C2)c1 ZINC000662074653 411977026 /nfs/dbraw/zinc/97/70/26/411977026.db2.gz LIDBSWAFBLLGNY-UHFFFAOYSA-N 0 1 239.265 2.187 20 0 BEADMN CC(C)CN1CCOc2ccc(O)cc2C1 ZINC000662102690 411987591 /nfs/dbraw/zinc/98/75/91/411987591.db2.gz DBSGEMLAYOZCIG-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN CCC(CC)C[N@H+]1CCc2nccnc2C1 ZINC000662119189 411990317 /nfs/dbraw/zinc/99/03/17/411990317.db2.gz RNOHGVFSPIKUEV-UHFFFAOYSA-N 0 1 219.332 2.271 20 0 BEADMN Cn1ncnc1CN1CCCC[C@@H]1CC1CCC1 ZINC000662159105 412013680 /nfs/dbraw/zinc/01/36/80/412013680.db2.gz YQOURHVRPCZQKU-CYBMUJFWSA-N 0 1 248.374 2.360 20 0 BEADMN Nc1ccnc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000662044671 411963117 /nfs/dbraw/zinc/96/31/17/411963117.db2.gz SBXVWEQBIISIAF-LBPRGKRZSA-N 0 1 246.358 2.071 20 0 BEADMN CC[N@@H+](CCCc1ccsc1)[C@@H](C)C(=O)[O-] ZINC000662214668 412023342 /nfs/dbraw/zinc/02/33/42/412023342.db2.gz GZZUCSSJEOJBIL-JTQLQIEISA-N 0 1 241.356 2.476 20 0 BEADMN CO[C@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822983 412026185 /nfs/dbraw/zinc/02/61/85/412026185.db2.gz LCLABFYNRJBLPL-DGCLKSJQSA-N 0 1 234.343 2.499 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1C(=O)[O-] ZINC000662211973 412026350 /nfs/dbraw/zinc/02/63/50/412026350.db2.gz LDGRHJWZRGSOBK-JQWIXIFHSA-N 0 1 223.316 2.138 20 0 BEADMN CC[C@H](CC(F)F)C[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000662218333 412029721 /nfs/dbraw/zinc/02/97/21/412029721.db2.gz ZLWDHTUFACYJAG-DTWKUNHWSA-N 0 1 237.290 2.463 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H](N)c2ccc(C)cc2)C1 ZINC000228090123 171004491 /nfs/dbraw/zinc/00/44/91/171004491.db2.gz PXUPMNZULVMUHQ-OCCSQVGLSA-N 0 1 246.354 2.253 20 0 BEADMN CC[C@@H]1CCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000292450607 171026024 /nfs/dbraw/zinc/02/60/24/171026024.db2.gz PJLQXTAYVYKEMS-CQSZACIVSA-N 0 1 246.354 2.373 20 0 BEADMN CC[C@@H]1CN(CCC(C)C)C[C@@H](C)[S@@]1=O ZINC000352872878 171078482 /nfs/dbraw/zinc/07/84/82/171078482.db2.gz XMMFVBVTHGIPTH-JMSVASOKSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@@H]1CN(CCC(C)C)C[C@H](C)[S@@]1=O ZINC000352872880 171078505 /nfs/dbraw/zinc/07/85/05/171078505.db2.gz XMMFVBVTHGIPTH-ZOWXZIJZSA-N 0 1 231.405 2.264 20 0 BEADMN CC[C@@H]1COCCN1CCc1ccc(OC)cc1 ZINC000360257933 171106442 /nfs/dbraw/zinc/10/64/42/171106442.db2.gz SMFXPXNXFZVNNN-CQSZACIVSA-N 0 1 249.354 2.349 20 0 BEADMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccn(C)c1 ZINC000270981603 171109666 /nfs/dbraw/zinc/10/96/66/171109666.db2.gz DMVRVJAMUGXVGN-WCQYABFASA-N 0 1 222.332 2.024 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(CO)cc1 ZINC000163415120 171113691 /nfs/dbraw/zinc/11/36/91/171113691.db2.gz CWJZQIONJRTZAB-IUODEOHRSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@](C)(CCO)NCc1csc(C)n1 ZINC000166039104 171166681 /nfs/dbraw/zinc/16/66/81/171166681.db2.gz LDIDWVDUOHHXJZ-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000081320931 171199656 /nfs/dbraw/zinc/19/96/56/171199656.db2.gz PDKBDOJLAKZLDM-LBPRGKRZSA-N 0 1 221.304 2.062 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cc(C)n(C)n2)C1 ZINC000336709920 171200378 /nfs/dbraw/zinc/20/03/78/171200378.db2.gz YAQBWDUPLZFTKR-ZDUSSCGKSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@@]1(C)CCN(Cc2nccn2C)C1 ZINC000336604052 171202322 /nfs/dbraw/zinc/20/23/22/171202322.db2.gz YZHMZACOTYZYJD-LBPRGKRZSA-N 0 1 207.321 2.042 20 0 BEADMN CC[C@@]1(C)CN(C[C@H](O)c2ccccc2)CCO1 ZINC000135663017 171202404 /nfs/dbraw/zinc/20/24/04/171202404.db2.gz CGDSACOKRDZNGL-GJZGRUSLSA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@@]1(C)COCCN1Cc1ccc(CO)cc1 ZINC000352780067 171203874 /nfs/dbraw/zinc/20/38/74/171203874.db2.gz RLGJYEXDIBRCPN-HNNXBMFYSA-N 0 1 249.354 2.180 20 0 BEADMN CC[C@@]1(CO)CCCN(Cc2cncs2)C1 ZINC000190227814 171211566 /nfs/dbraw/zinc/21/15/66/171211566.db2.gz AKGVHVUFNPUYOT-GFCCVEGCSA-N 0 1 240.372 2.128 20 0 BEADMN CC[C@H](C(=O)NC(C)C)N(C)Cc1ccccc1 ZINC000339235728 171225205 /nfs/dbraw/zinc/22/52/05/171225205.db2.gz RQCJAYZBTAWAQS-CQSZACIVSA-N 0 1 248.370 2.422 20 0 BEADMN CC[C@H](C(=O)NC1CC1)N(C)Cc1ccccc1 ZINC000339236282 171227353 /nfs/dbraw/zinc/22/73/53/171227353.db2.gz SCSZNUUKRNWFLL-CQSZACIVSA-N 0 1 246.354 2.176 20 0 BEADMN CC[C@H](C(=O)Nc1cc(C)ccc1F)N(C)C ZINC000124607228 171233858 /nfs/dbraw/zinc/23/38/58/171233858.db2.gz FQSINOAXNICJKN-GFCCVEGCSA-N 0 1 238.306 2.413 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C ZINC000042436071 171236342 /nfs/dbraw/zinc/23/63/42/171236342.db2.gz HAKJUWQUCLOLND-GFCCVEGCSA-N 0 1 221.300 2.290 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCCc1ccccc1 ZINC000044620385 171236419 /nfs/dbraw/zinc/23/64/19/171236419.db2.gz LEIUTJDQSXEYLK-CYBMUJFWSA-N 0 1 235.327 2.414 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000042436824 171236605 /nfs/dbraw/zinc/23/66/05/171236605.db2.gz DDUCVUBEJHBJLE-LLVKDONJSA-N 0 1 225.263 2.121 20 0 BEADMN CC[C@H](C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269943352 171255782 /nfs/dbraw/zinc/25/57/82/171255782.db2.gz SHEWNUQVQOHAFK-VIFPVBQESA-N 0 1 244.298 2.456 20 0 BEADMN CC[C@H](C)CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000190231214 171263514 /nfs/dbraw/zinc/26/35/14/171263514.db2.gz UIABCVGNUQTKJD-QMMMGPOBSA-N 0 1 236.319 2.447 20 0 BEADMN CC[C@H](C)CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000190231214 171263515 /nfs/dbraw/zinc/26/35/15/171263515.db2.gz UIABCVGNUQTKJD-QMMMGPOBSA-N 0 1 236.319 2.447 20 0 BEADMN CC[C@H](C)CN(C)C(=O)c1ccc2cncn2c1 ZINC000283275574 171271702 /nfs/dbraw/zinc/27/17/02/171271702.db2.gz BDQCQTVDQZYYSU-NSHDSACASA-N 0 1 245.326 2.452 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)c1cccn1C ZINC000037337096 171272520 /nfs/dbraw/zinc/27/25/20/171272520.db2.gz JPYNZYSBEHCFOT-NSHDSACASA-N 0 1 222.332 2.186 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1cccc(F)c1 ZINC000337322567 171304370 /nfs/dbraw/zinc/30/43/70/171304370.db2.gz DNWUPAOYCHKXNP-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN CC[C@H](C)N(C)CC(=O)N1CCc2ccccc21 ZINC000340604859 171304388 /nfs/dbraw/zinc/30/43/88/171304388.db2.gz WLLZBOCGAZDUOR-LBPRGKRZSA-N 0 1 246.354 2.306 20 0 BEADMN CC[C@H](C)N(C)Cc1nc(-c2ccccn2)no1 ZINC000365301432 171309018 /nfs/dbraw/zinc/30/90/18/171309018.db2.gz BAJFKZYYCJNCOD-JTQLQIEISA-N 0 1 246.314 2.362 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cnc(C)s1 ZINC000062337012 171311264 /nfs/dbraw/zinc/31/12/64/171311264.db2.gz IFRSVVVCYJBUCE-QMMMGPOBSA-N 0 1 242.344 2.137 20 0 BEADMN CC[C@H](C)N(CCO)Cc1cnc(Cl)s1 ZINC000287469193 171314964 /nfs/dbraw/zinc/31/49/64/171314964.db2.gz RQIDJUBLMZXHTD-QMMMGPOBSA-N 0 1 248.779 2.389 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000337310057 171319551 /nfs/dbraw/zinc/31/95/51/171319551.db2.gz ZVFGPIJMANYOEN-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccco1 ZINC000038013710 171322708 /nfs/dbraw/zinc/32/27/08/171322708.db2.gz FESKAXZELUUSED-QWRGUYRKSA-N 0 1 238.331 2.235 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC)CCC1CC1 ZINC000355053633 171323181 /nfs/dbraw/zinc/32/31/81/171323181.db2.gz FXNPQQJHGGSRFI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000244516814 171324046 /nfs/dbraw/zinc/32/40/46/171324046.db2.gz ZQBOULJASSJLBL-ZDUSSCGKSA-N 0 1 248.370 2.423 20 0 BEADMN CC[C@H](C)NC(=O)CN(CC)Cc1ccccc1 ZINC000244516814 171324047 /nfs/dbraw/zinc/32/40/47/171324047.db2.gz ZQBOULJASSJLBL-ZDUSSCGKSA-N 0 1 248.370 2.423 20 0 BEADMN CC[C@H](C)NC(=O)c1ccc(F)cc1O ZINC000123173997 171337236 /nfs/dbraw/zinc/33/72/36/171337236.db2.gz MFXJGSYKIGITEU-ZETCQYMHSA-N 0 1 211.236 2.060 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)c1[nH]nc(C)c1C ZINC000265198860 171363984 /nfs/dbraw/zinc/36/39/84/171363984.db2.gz JADWMRNPAUQBME-IONNQARKSA-N 0 1 223.320 2.191 20 0 BEADMN CC[C@H](C)[C@@H](CN[C@H](C)c1nccn1C)OC ZINC000362975916 171368442 /nfs/dbraw/zinc/36/84/42/171368442.db2.gz HPRZLDVGETXSEG-QJPTWQEYSA-N 0 1 239.363 2.132 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@H](C)c1cc(C)on1 ZINC000284028839 171378147 /nfs/dbraw/zinc/37/81/47/171378147.db2.gz JEPYVJSVMAGZEY-XRNSZHNASA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1cc(C)on1 ZINC000284028816 171378444 /nfs/dbraw/zinc/37/84/44/171378444.db2.gz JEPYVJSVMAGZEY-PEXQALLHSA-N 0 1 226.320 2.041 20 0 BEADMN CC[C@H](C)[C@@H](O)CNc1cc(C)ccn1 ZINC000268295555 171378784 /nfs/dbraw/zinc/37/87/84/171378784.db2.gz FRTUVDMAZQZMJC-QWRGUYRKSA-N 0 1 208.305 2.209 20 0 BEADMN COc1ccnc(CN2CC3CC2(C)C3)c1OC ZINC000662385592 412137690 /nfs/dbraw/zinc/13/76/90/412137690.db2.gz XMCMCIKBXAYLFY-UHFFFAOYSA-N 0 1 248.326 2.083 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356791079 171383818 /nfs/dbraw/zinc/38/38/18/171383818.db2.gz UPMMTSPDAJYJGI-WUHRBBMRSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](C)N(Cc1cn(C)nn1)C1CC1 ZINC000341622216 171386230 /nfs/dbraw/zinc/38/62/30/171386230.db2.gz RSRUEHOBZMIZFC-QWRGUYRKSA-N 0 1 236.363 2.214 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)c1cnccc1N(C)C ZINC000183452778 171388162 /nfs/dbraw/zinc/38/81/62/171388162.db2.gz QIYZNTDIGQKMHU-QWRGUYRKSA-N 0 1 249.358 2.312 20 0 BEADMN CC[C@H](C)[C@H](C)Nc1ncnc2[nH]cnc21 ZINC000042557228 171392326 /nfs/dbraw/zinc/39/23/26/171392326.db2.gz OOAJLKWCDDBTIF-YUMQZZPRSA-N 0 1 219.292 2.199 20 0 BEADMN CC12CC(C1)CN2Cc1ccncc1F ZINC000662386230 412140272 /nfs/dbraw/zinc/14/02/72/412140272.db2.gz YXGLVDMALQMNQM-UHFFFAOYSA-N 0 1 206.264 2.205 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CC2(C)C)co1 ZINC000662343921 412112129 /nfs/dbraw/zinc/11/21/29/412112129.db2.gz NTSHBPNLIFRWEZ-SNVBAGLBSA-N 0 1 208.305 2.461 20 0 BEADMN COc1ccnc(CN2CC3CC2(C)C3)c1 ZINC000662383290 412130062 /nfs/dbraw/zinc/13/00/62/412130062.db2.gz KTXGUBQXBUSJJP-UHFFFAOYSA-N 0 1 218.300 2.075 20 0 BEADMN CN(C)Cc1cc(-c2cncn2C)ccc1F ZINC000665199602 412131800 /nfs/dbraw/zinc/13/18/00/412131800.db2.gz OVQNWNVTENDBTE-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN CN(C)Cc1cc(-c2ccnn2C)ccc1F ZINC000665199778 412132499 /nfs/dbraw/zinc/13/24/99/412132499.db2.gz XFPIPJZLAOMZSC-UHFFFAOYSA-N 0 1 233.290 2.288 20 0 BEADMN Cc1ccccc1NC(=O)CN1CC2CC1(C)C2 ZINC000662381071 412133126 /nfs/dbraw/zinc/13/31/26/412133126.db2.gz OJCDLJJLCCVPLN-UHFFFAOYSA-N 0 1 244.338 2.418 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC1CC(C)(C)C1 ZINC000662946861 412351334 /nfs/dbraw/zinc/35/13/34/412351334.db2.gz DQVFSAXEURAIEM-ZDUSSCGKSA-N 0 1 246.354 2.300 20 0 BEADMN CN(C[C@@H]1CC1(C)C)C(=O)[C@@H](N)c1ccccc1 ZINC000662991503 412364874 /nfs/dbraw/zinc/36/48/74/412364874.db2.gz VJQCJYACQXYQOJ-STQMWFEESA-N 0 1 246.354 2.191 20 0 BEADMN C[C@@H](CNC(=O)C1(N(C)C)CC1)c1ccccc1 ZINC000665381674 412299046 /nfs/dbraw/zinc/29/90/46/412299046.db2.gz OSLVVQCDOZIDAX-LBPRGKRZSA-N 0 1 246.354 2.001 20 0 BEADMN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)C ZINC000665581010 412373094 /nfs/dbraw/zinc/37/30/94/412373094.db2.gz SPGINPCWKIKCTN-NEPJUHHUSA-N 0 1 246.354 2.304 20 0 BEADMN CCN1C(=O)N=NC1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663237226 412398121 /nfs/dbraw/zinc/39/81/21/412398121.db2.gz GXXIPYNRTJMGGU-AYMMMOKOSA-N 0 1 239.344 2.142 20 0 BEADMN NC1(c2noc(-c3ccc(F)s3)n2)CCC1 ZINC000663251464 412400918 /nfs/dbraw/zinc/40/09/18/412400918.db2.gz QNQORZCSUYMTFD-UHFFFAOYSA-N 0 1 239.275 2.275 20 0 BEADMN CCc1nc([C@@H](C)NC[C@@H](O)C(C)C)cs1 ZINC000284219304 172001808 /nfs/dbraw/zinc/00/18/08/172001808.db2.gz ZSRPVHDUODPAKM-MWLCHTKSSA-N 0 1 242.388 2.373 20 0 BEADMN CCc1nc([C@@H](C)NC[C@H](C)OC)cs1 ZINC000184712736 172002369 /nfs/dbraw/zinc/00/23/69/172002369.db2.gz QVLVJHDJFKKINF-DTWKUNHWSA-N 0 1 228.361 2.391 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2ccccn2)n[nH]1 ZINC000271569080 172003167 /nfs/dbraw/zinc/00/31/67/172003167.db2.gz VKJMHXXUZNENTF-NXEZZACHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@@H](C)N[C@H](C)c2cc(C)on2)n[nH]1 ZINC000284905040 172003331 /nfs/dbraw/zinc/00/33/31/172003331.db2.gz CIYZBCQDHLKNBN-RKDXNWHRSA-N 0 1 249.318 2.075 20 0 BEADMN CCc1nc([C@H](C)N[C@@H](C)c2cccnc2)n[nH]1 ZINC000271492992 172007240 /nfs/dbraw/zinc/00/72/40/172007240.db2.gz LFBGOTWKUZQWRV-UWVGGRQHSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2cc(C)on2)n[nH]1 ZINC000284905027 172007532 /nfs/dbraw/zinc/00/75/32/172007532.db2.gz CIYZBCQDHLKNBN-BDAKNGLRSA-N 0 1 249.318 2.075 20 0 BEADMN CC[C@@H](CO)NCc1c(Cl)ccnc1Cl ZINC001652223832 1173047468 /nfs/dbraw/zinc/04/74/68/1173047468.db2.gz SOTPPPZXLZGDJX-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN CCc1nnc(CN[C@@H](C)CC2CC2)s1 ZINC000336758409 172051510 /nfs/dbraw/zinc/05/15/10/172051510.db2.gz JUMJTTPNXMJTFB-QMMMGPOBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H](C)C2CCC2)s1 ZINC000336763121 172052242 /nfs/dbraw/zinc/05/22/42/172052242.db2.gz OLEALTYLIUIKTK-QMMMGPOBSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CNC[C@H](C)CC)s1 ZINC000308618927 172052702 /nfs/dbraw/zinc/05/27/02/172052702.db2.gz SLOQSWPUQSIHSJ-MRVPVSSYSA-N 0 1 213.350 2.236 20 0 BEADMN CCc1nnc(CNC2CCSCC2)s1 ZINC000336768844 172052710 /nfs/dbraw/zinc/05/27/10/172052710.db2.gz UOEHMRRADBUXPI-UHFFFAOYSA-N 0 1 243.401 2.086 20 0 BEADMN CCc1nnc(CN[C@H](C)C(C)(C)OC)s1 ZINC000340386120 172053350 /nfs/dbraw/zinc/05/33/50/172053350.db2.gz AFDWCXWOKGXYOD-MRVPVSSYSA-N 0 1 243.376 2.004 20 0 BEADMN CCc1nnc(CN[C@H]2CCC[C@@H]2CC)o1 ZINC000309994915 172053402 /nfs/dbraw/zinc/05/34/02/172053402.db2.gz BXSOUBNXXJHSIU-UWVGGRQHSA-N 0 1 223.320 2.300 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@H](C)CC)o1 ZINC000183013796 172053600 /nfs/dbraw/zinc/05/36/00/172053600.db2.gz DBKZENYFYGLXAB-RKDXNWHRSA-N 0 1 211.309 2.156 20 0 BEADMN CCc1n[nH]c(SCOC(=O)C(C)(C)C)n1 ZINC000179890433 172061949 /nfs/dbraw/zinc/06/19/49/172061949.db2.gz ACLXJLFZAHJXGP-UHFFFAOYSA-N 0 1 243.332 2.006 20 0 BEADMN CCc1nc(SCOC(=O)C(C)(C)C)n[nH]1 ZINC000179890433 172061950 /nfs/dbraw/zinc/06/19/50/172061950.db2.gz ACLXJLFZAHJXGP-UHFFFAOYSA-N 0 1 243.332 2.006 20 0 BEADMN CCc1nc(S[C@@H](C)c2cnccn2)n[nH]1 ZINC000185629918 172063338 /nfs/dbraw/zinc/06/33/38/172063338.db2.gz BVLSUSHTGZZOLB-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1n[nH]c(S[C@@H](C)c2cnccn2)n1 ZINC000185629918 172063342 /nfs/dbraw/zinc/06/33/42/172063342.db2.gz BVLSUSHTGZZOLB-ZETCQYMHSA-N 0 1 235.316 2.010 20 0 BEADMN CCc1nnc([C@H](C)N(C)CC2CCC2)o1 ZINC000111298223 172066606 /nfs/dbraw/zinc/06/66/06/172066606.db2.gz YFNODQLVOYHLBE-VIFPVBQESA-N 0 1 223.320 2.425 20 0 BEADMN CCc1nocc1CN(C)C[C@H](O)C(C)(C)C ZINC000339609735 172094645 /nfs/dbraw/zinc/09/46/45/172094645.db2.gz QJGLDUAUKHOOKW-LBPRGKRZSA-N 0 1 240.347 2.076 20 0 BEADMN CCc1nocc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000353109380 172098475 /nfs/dbraw/zinc/09/84/75/172098475.db2.gz JRQUDELKSBDMMX-MFKMUULPSA-N 0 1 238.331 2.094 20 0 BEADMN CCc1nocc1CNc1cc(OC)ccn1 ZINC000339329117 172101456 /nfs/dbraw/zinc/10/14/56/172101456.db2.gz MTIDTJFRJLLTPP-UHFFFAOYSA-N 0 1 233.271 2.253 20 0 BEADMN CCn1c(C)nnc1CN1CC[C@@H](CC2CC2)C1 ZINC000339671325 172139866 /nfs/dbraw/zinc/13/98/66/172139866.db2.gz GOTISKOTPGVZED-ZDUSSCGKSA-N 0 1 248.374 2.228 20 0 BEADMN CCn1cc(CNCc2ccoc2C)cn1 ZINC000336751960 172172807 /nfs/dbraw/zinc/17/28/07/172172807.db2.gz CQYBSLZKXSACNK-UHFFFAOYSA-N 0 1 219.288 2.094 20 0 BEADMN CCn1cc(CN[C@H](C)c2cnccc2C)cn1 ZINC000271260480 172173312 /nfs/dbraw/zinc/17/33/12/172173312.db2.gz AOPVJDNDFWNMIM-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN CCn1cc(CNc2nccn2CC(C)C)cn1 ZINC000280980519 172176905 /nfs/dbraw/zinc/17/69/05/172176905.db2.gz LFKZSCNVMHNNLV-UHFFFAOYSA-N 0 1 247.346 2.368 20 0 BEADMN CCn1cc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cn1 ZINC000163900859 172195005 /nfs/dbraw/zinc/19/50/05/172195005.db2.gz BJVXKXHDAOVHQT-WDEREUQCSA-N 0 1 247.346 2.048 20 0 BEADMN CCn1cc([C@H](C)N[C@H]2CCC[C@H]2F)cn1 ZINC000340529244 172197550 /nfs/dbraw/zinc/19/75/50/172197550.db2.gz IULOCICEETWBMQ-WCQGTBRESA-N 0 1 225.311 2.444 20 0 BEADMN CCn1ccnc1CN1[C@H](C)CC[C@H]1C ZINC000123203210 172222586 /nfs/dbraw/zinc/22/25/86/172222586.db2.gz KDECQXGRBLYZDJ-GHMZBOCLSA-N 0 1 207.321 2.276 20 0 BEADMN CCn1ccnc1NC(=O)c1c(O)cccc1F ZINC000335351197 172226498 /nfs/dbraw/zinc/22/64/98/172226498.db2.gz TZMMHWMVGTWNBR-UHFFFAOYSA-N 0 1 249.245 2.000 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@H]1CC1(C)C ZINC000297129268 172227346 /nfs/dbraw/zinc/22/73/46/172227346.db2.gz YXMHEXZCTQXWMA-ZJUUUORDSA-N 0 1 207.321 2.352 20 0 BEADMN CCn1cnnc1CN[C@H](C)CCc1ccco1 ZINC000158405254 172236851 /nfs/dbraw/zinc/23/68/51/172236851.db2.gz XJVBHZJEAJDXSR-LLVKDONJSA-N 0 1 248.330 2.002 20 0 BEADMN CCn1cnnc1CN[C@@H](C)CCc1ccco1 ZINC000158405115 172236991 /nfs/dbraw/zinc/23/69/91/172236991.db2.gz XJVBHZJEAJDXSR-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN CCn1nc(CNC[C@@H](C)OC)c2ccccc21 ZINC000224173257 172250749 /nfs/dbraw/zinc/25/07/49/172250749.db2.gz QJISSTSYPJYWAN-LLVKDONJSA-N 0 1 247.342 2.181 20 0 BEADMN CCn1nccc1CN1CCC(CF)CC1 ZINC000295033110 172265507 /nfs/dbraw/zinc/26/55/07/172265507.db2.gz LUSOTCFSGJDRKW-UHFFFAOYSA-N 0 1 225.311 2.085 20 0 BEADMN CCn1nccc1CN[C@@H](C)c1cccc(O)c1 ZINC000119086193 172272822 /nfs/dbraw/zinc/27/28/22/172272822.db2.gz JRJIXVMOFKDTJM-NSHDSACASA-N 0 1 245.326 2.459 20 0 BEADMN CCn1nccc1CNc1cc2c(cn1)CCC2 ZINC000339557378 172274307 /nfs/dbraw/zinc/27/43/07/172274307.db2.gz VPZZUQKJYGGRKY-UHFFFAOYSA-N 0 1 242.326 2.399 20 0 BEADMN CN(C(=O)Cc1ccn[nH]1)C1CCCCCC1 ZINC000174533655 172315864 /nfs/dbraw/zinc/31/58/64/172315864.db2.gz WMEQHDBZDAOOPH-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN CN(C(=O)[C@](C)(N)c1ccccc1)C1CCCC1 ZINC000052881441 172335691 /nfs/dbraw/zinc/33/56/91/172335691.db2.gz NRSNOJGJGXZWTM-OAHLLOKOSA-N 0 1 246.354 2.262 20 0 BEADMN CN(C(=O)c1c(O)cccc1F)C1CCC1 ZINC000126563159 172336448 /nfs/dbraw/zinc/33/64/48/172336448.db2.gz BMMLRZBDQGEFKF-UHFFFAOYSA-N 0 1 223.247 2.156 20 0 BEADMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C1CCC1 ZINC000336586532 172337162 /nfs/dbraw/zinc/33/71/62/172337162.db2.gz RFEPJMKZQFLFFG-UHFFFAOYSA-N 0 1 247.220 2.053 20 0 BEADMN CN(C(=O)c1cnc[nH]1)C1CCC(F)(F)CC1 ZINC000288111837 172346408 /nfs/dbraw/zinc/34/64/08/172346408.db2.gz HNAXYZUXBJDPQJ-UHFFFAOYSA-N 0 1 243.257 2.060 20 0 BEADMN CN(C(=O)c1coc(CN)c1)C1CCCCC1 ZINC000187184999 172347948 /nfs/dbraw/zinc/34/79/48/172347948.db2.gz ISEINBFFXNYIOS-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN CN(CC1CCC1)C(=O)c1[nH]nc2ccccc21 ZINC000096477723 172655227 /nfs/dbraw/zinc/65/52/27/172655227.db2.gz YTXWQAXTEAIRQU-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CN(CCO)Cc1ccccc1OC1CCCC1 ZINC000270999398 172757407 /nfs/dbraw/zinc/75/74/07/172757407.db2.gz KLDFALQRQNLZFN-UHFFFAOYSA-N 0 1 249.354 2.432 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000082324612 173026237 /nfs/dbraw/zinc/02/62/37/173026237.db2.gz HVXSHWGFVINVEN-LLVKDONJSA-N 0 1 238.718 2.373 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000110065916 173050194 /nfs/dbraw/zinc/05/01/94/173050194.db2.gz JOSNIBZDHAOBHK-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN CN1CCN(CCSC2CCCCC2)CC1 ZINC000337322507 173083485 /nfs/dbraw/zinc/08/34/85/173083485.db2.gz DHHIJHSYGNRYCY-UHFFFAOYSA-N 0 1 242.432 2.300 20 0 BEADMN CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000023253596 173086976 /nfs/dbraw/zinc/08/69/76/173086976.db2.gz PMSOQJSBFZKFIK-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CN1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177023113 173092193 /nfs/dbraw/zinc/09/21/93/173092193.db2.gz CORKZBBWBJXWMV-CQSZACIVSA-N 0 1 234.318 2.060 20 0 BEADMN CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000042561358 173294946 /nfs/dbraw/zinc/29/49/46/173294946.db2.gz CNAZADWBSUOVHR-NKWVEPMBSA-N 0 1 246.763 2.187 20 0 BEADMN CNC(=O)[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000058181864 173302847 /nfs/dbraw/zinc/30/28/47/173302847.db2.gz YDUNECVVVTZWCS-IUCAKERBSA-N 0 1 240.734 2.125 20 0 BEADMN CNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000042220976 173303111 /nfs/dbraw/zinc/30/31/11/173303111.db2.gz QHWDZECGSOBTNM-UWVGGRQHSA-N 0 1 246.310 2.218 20 0 BEADMN COC(=O)[C@@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000378653817 173683877 /nfs/dbraw/zinc/68/38/77/173683877.db2.gz XHBGMXKFRAVLJZ-OCCSQVGLSA-N 0 1 247.338 2.346 20 0 BEADMN COC1(CN[C@@H](C)c2cc(C)on2)CCC1 ZINC000336775350 174004019 /nfs/dbraw/zinc/00/40/19/174004019.db2.gz YUFQFMYQWWNVNW-JTQLQIEISA-N 0 1 224.304 2.203 20 0 BEADMN COC1(CN[C@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000345350506 174004656 /nfs/dbraw/zinc/00/46/56/174004656.db2.gz HNAAAODWIHQXOE-QWRGUYRKSA-N 0 1 235.331 2.048 20 0 BEADMN COCC1(CNCc2cocn2)CCCCC1 ZINC000353117418 174102934 /nfs/dbraw/zinc/10/29/34/174102934.db2.gz MKXHKLDETHRWAM-UHFFFAOYSA-N 0 1 238.331 2.361 20 0 BEADMN COCC1CCN(Cc2nc(C)cs2)CC1 ZINC000088599488 174120766 /nfs/dbraw/zinc/12/07/66/174120766.db2.gz BJTZJJJYTPPMOL-UHFFFAOYSA-N 0 1 240.372 2.310 20 0 BEADMN COCCC1(C)CN(Cc2ccncc2C)C1 ZINC000297415870 174152484 /nfs/dbraw/zinc/15/24/84/174152484.db2.gz MZPXSMASEAYIHF-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN COCCCCc1nc([C@H](N)CC(C)C)no1 ZINC000339397787 174207747 /nfs/dbraw/zinc/20/77/47/174207747.db2.gz ZMVCPMDRPDMUNV-SNVBAGLBSA-N 0 1 241.335 2.085 20 0 BEADMN COCCCN(C)Cc1nc(C)c(C)s1 ZINC000176332232 174218189 /nfs/dbraw/zinc/21/81/89/174218189.db2.gz AMWDDJKXTJALOF-UHFFFAOYSA-N 0 1 228.361 2.228 20 0 BEADMN COCCCN1CCOc2c(F)cccc2C1 ZINC000375903023 174232840 /nfs/dbraw/zinc/23/28/40/174232840.db2.gz FAWLENATIUGRJV-UHFFFAOYSA-N 0 1 239.290 2.057 20 0 BEADMN COCCN(C)Cc1ccc2ccccc2n1 ZINC000124021099 174281716 /nfs/dbraw/zinc/28/17/16/174281716.db2.gz CLNFZJOZOFMDCY-UHFFFAOYSA-N 0 1 230.311 2.313 20 0 BEADMN COCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000272357708 174283106 /nfs/dbraw/zinc/28/31/06/174283106.db2.gz VWUKEJHPVIEOHG-SNVBAGLBSA-N 0 1 234.299 2.467 20 0 BEADMN COCCN(CCOC)Cc1csc(C)c1 ZINC000294517366 174295817 /nfs/dbraw/zinc/29/58/17/174295817.db2.gz FBWJFMXBZKVKJK-UHFFFAOYSA-N 0 1 243.372 2.151 20 0 BEADMN COCCN(CCOC)Cc1ccsc1C ZINC000294883301 174296006 /nfs/dbraw/zinc/29/60/06/174296006.db2.gz LCYWHVHTKXQOMG-UHFFFAOYSA-N 0 1 243.372 2.151 20 0 BEADMN COCCN(Cc1ccc(C)nc1)C1CC1 ZINC000360981669 174299272 /nfs/dbraw/zinc/29/92/72/174299272.db2.gz CHURHWMZNSYHIN-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN COCCN(Cc1ccc(C)o1)C[C@@H](C)OC ZINC000182233003 174300187 /nfs/dbraw/zinc/30/01/87/174300187.db2.gz YYJPSUNJPFTNHJ-GFCCVEGCSA-N 0 1 241.331 2.071 20 0 BEADMN COCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019881237 174335606 /nfs/dbraw/zinc/33/56/06/174335606.db2.gz QDXDHALJAKVSBP-GXSJLCMTSA-N 0 1 209.289 2.139 20 0 BEADMN COCCNCc1ccc(Cl)cc1F ZINC000053292905 174336107 /nfs/dbraw/zinc/33/61/07/174336107.db2.gz BHMXGWRMQRWDAP-UHFFFAOYSA-N 0 1 217.671 2.215 20 0 BEADMN COCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375898541 174338361 /nfs/dbraw/zinc/33/83/61/174338361.db2.gz UOHAVGJJCNPRGQ-GFCCVEGCSA-N 0 1 237.347 2.267 20 0 BEADMN COCCN[C@H](C)c1ccc(Cl)cn1 ZINC000336657655 174340478 /nfs/dbraw/zinc/34/04/78/174340478.db2.gz PTVIWMRFWRNKKO-MRVPVSSYSA-N 0 1 214.696 2.032 20 0 BEADMN COCC[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000336767970 174383967 /nfs/dbraw/zinc/38/39/67/174383967.db2.gz QHZROWVTXWDONB-SECBINFHSA-N 0 1 243.376 2.176 20 0 BEADMN COCC[C@@H](NCc1cc[nH]c1)c1ccco1 ZINC000272544859 174393622 /nfs/dbraw/zinc/39/36/22/174393622.db2.gz LPFRKNHJVSCVRS-GFCCVEGCSA-N 0 1 234.299 2.475 20 0 BEADMN COCc1cnc(CN[C@H]2CC[C@@H]2C)s1 ZINC000309198084 174636261 /nfs/dbraw/zinc/63/62/61/174636261.db2.gz QVPSKZUWMOJNOC-WPRPVWTQSA-N 0 1 226.345 2.178 20 0 BEADMN COc1cc(NCc2cn[nH]c2C)cc(OC)c1 ZINC000036901465 175002290 /nfs/dbraw/zinc/00/22/90/175002290.db2.gz KRUBLIDQWKVCRL-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1cc2c(c(CN3CC(C)C3)c1)O[C@H](C)C2 ZINC000338951123 175019836 /nfs/dbraw/zinc/01/98/36/175019836.db2.gz HILVIOMCKYDBPE-LLVKDONJSA-N 0 1 247.338 2.470 20 0 BEADMN COc1ccc(C)cc1CN(C)[C@@H]1CCOC1 ZINC000336708978 175075314 /nfs/dbraw/zinc/07/53/14/175075314.db2.gz PIZOCOPFSAJKLZ-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN COc1ccc(CCNCc2cocn2)cc1 ZINC000192279525 175091853 /nfs/dbraw/zinc/09/18/53/175091853.db2.gz YSNHCBGBAFJXSH-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN COc1ccc(CN[C@@H](C)c2cccnc2)cn1 ZINC000020186181 175109396 /nfs/dbraw/zinc/10/93/96/175109396.db2.gz YLEQVPNOCUUCJV-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COc1ccc(F)c(NCc2[nH]ncc2C)c1 ZINC000289477192 175126682 /nfs/dbraw/zinc/12/66/82/175126682.db2.gz JPYBHWBZWQSYAH-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc(F)c(NCc2cn[nH]c2C)c1 ZINC000094855049 175126861 /nfs/dbraw/zinc/12/68/61/175126861.db2.gz AGVQDHIBTCTHFT-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc(F)cc1CN(C)C[C@H](C)OC ZINC000285550252 175129353 /nfs/dbraw/zinc/12/93/53/175129353.db2.gz GLKDLRGYXFZQJY-JTQLQIEISA-N 0 1 241.306 2.301 20 0 BEADMN CC(C)[C@@H](Nc1ncnc2[nH]cnc21)C1CC1 ZINC000324562914 487629890 /nfs/dbraw/zinc/62/98/90/487629890.db2.gz SUDSSJLCYOMULF-SECBINFHSA-N 0 1 231.303 2.199 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655775430 487629984 /nfs/dbraw/zinc/62/99/84/487629984.db2.gz XOQVCMRRDRHWJB-FRRDWIJNSA-N 0 1 249.358 2.265 20 0 BEADMN COc1ccc(OC)c(NCc2cn[nH]c2C)c1 ZINC000036901468 175167128 /nfs/dbraw/zinc/16/71/28/175167128.db2.gz FOABIQADQNGORP-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN COc1ccc([C@H](C)NCCF)cc1O ZINC000290026781 175188382 /nfs/dbraw/zinc/18/83/82/175188382.db2.gz ATUFNRIEEPRYRB-QMMMGPOBSA-N 0 1 213.252 2.021 20 0 BEADMN COc1ccc2c(c1)CN(CCOC(C)C)CC2 ZINC000065162982 175210493 /nfs/dbraw/zinc/21/04/93/175210493.db2.gz ZYHBBOSFSPZGKO-UHFFFAOYSA-N 0 1 249.354 2.478 20 0 BEADMN COc1ccc2c(c1)OCCN(C(C)C)C2 ZINC000336441721 175212837 /nfs/dbraw/zinc/21/28/37/175212837.db2.gz IPWIHBCPMOFYBA-UHFFFAOYSA-N 0 1 221.300 2.298 20 0 BEADMN COc1ccc2c(c1)[C@@H](NCCF)CCCO2 ZINC000280876357 175214156 /nfs/dbraw/zinc/21/41/56/175214156.db2.gz AQZOUTALQJGDDL-LBPRGKRZSA-N 0 1 239.290 2.468 20 0 BEADMN COc1cccc(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000041123576 175236371 /nfs/dbraw/zinc/23/63/71/175236371.db2.gz UWMUQEUTJOBEIE-LLVKDONJSA-N 0 1 247.298 2.401 20 0 BEADMN COc1cccc(CCNCc2cocn2)c1 ZINC000192287117 175253048 /nfs/dbraw/zinc/25/30/48/175253048.db2.gz JWTIKIMDRUAAKO-UHFFFAOYSA-N 0 1 232.283 2.016 20 0 BEADMN COc1cccc([C@@H](C)NCc2cncn2C)c1 ZINC000112341782 175287099 /nfs/dbraw/zinc/28/70/99/175287099.db2.gz KBHLYRSFJLZLCC-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccccc1/C=C/CN1CCCOCC1 ZINC000370074397 175313580 /nfs/dbraw/zinc/31/35/80/175313580.db2.gz VJNWHYKRXGAJSH-QPJJXVBHSA-N 0 1 247.338 2.431 20 0 BEADMN COc1ccccc1/C=C/CN1CCC(O)CC1 ZINC000271026920 175314463 /nfs/dbraw/zinc/31/44/63/175314463.db2.gz FVPFJYDHPQQASY-GQCTYLIASA-N 0 1 247.338 2.165 20 0 BEADMN COc1ccccc1CCCN1CCO[C@H]2C[C@H]21 ZINC000368633166 175322051 /nfs/dbraw/zinc/32/20/51/175322051.db2.gz MXOMDQDKJJGNPD-HIFRSBDPSA-N 0 1 247.338 2.101 20 0 BEADMN COc1ccccc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044683875 175329718 /nfs/dbraw/zinc/32/97/18/175329718.db2.gz YFYAOCGBVQSQJB-CYBMUJFWSA-N 0 1 246.354 2.022 20 0 BEADMN COc1cncc(CN2CCC=C(C)C2)c1 ZINC000288568022 175384132 /nfs/dbraw/zinc/38/41/32/175384132.db2.gz AMYNLOJOEMJCSI-UHFFFAOYSA-N 0 1 218.300 2.242 20 0 BEADMN COc1ncc(CN2CCCC[C@@H]2C)c(C)n1 ZINC000337138140 175399107 /nfs/dbraw/zinc/39/91/07/175399107.db2.gz QEHBCTYHMKTBCF-JTQLQIEISA-N 0 1 235.331 2.168 20 0 BEADMN CS[C@H](C)CNCc1ncc(C)s1 ZINC000295886317 175563474 /nfs/dbraw/zinc/56/34/74/175563474.db2.gz YEIDNJVMEPUCKI-SSDOTTSWSA-N 0 1 216.375 2.293 20 0 BEADMN CS[C@H]1CC[C@H]1NCc1nccn1C(F)F ZINC000309918390 175570820 /nfs/dbraw/zinc/57/08/20/175570820.db2.gz QPXRRQBEYBCSPN-SFYZADRCSA-N 0 1 247.314 2.262 20 0 BEADMN C[C@@H](CCO)NCc1ncc(C(C)(C)C)s1 ZINC000279060717 175681741 /nfs/dbraw/zinc/68/17/41/175681741.db2.gz FDOHMIJRRUKIIM-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1cnccn1 ZINC000185693286 176010800 /nfs/dbraw/zinc/01/08/00/176010800.db2.gz NWIWNYVIQRIDLF-SSDOTTSWSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1cnccn1 ZINC000185693286 176010801 /nfs/dbraw/zinc/01/08/01/176010801.db2.gz NWIWNYVIQRIDLF-SSDOTTSWSA-N 0 1 247.327 2.325 20 0 BEADMN C[C@@H](C(=O)N(C)C1CCC(C)(C)CC1)N(C)C ZINC000674841255 487632397 /nfs/dbraw/zinc/63/23/97/487632397.db2.gz MUQHPCMQKITTGP-NSHDSACASA-N 0 1 240.391 2.364 20 0 BEADMN C[C@@H](c1cccnc1)N(C)Cc1ccnc(N)c1 ZINC000299674120 176028762 /nfs/dbraw/zinc/02/87/62/176028762.db2.gz MKKRAMOKXOLYPJ-NSHDSACASA-N 0 1 242.326 2.252 20 0 BEADMN C[C@@H](c1ccco1)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000264664028 176030838 /nfs/dbraw/zinc/03/08/38/176030838.db2.gz WQDBGJKMYXJRCP-VIFPVBQESA-N 0 1 245.282 2.369 20 0 BEADMN C[C@@H](c1ccncc1)[N@@H+](C)CCc1ccnn1C ZINC000276283757 176034104 /nfs/dbraw/zinc/03/41/04/176034104.db2.gz GGMYUIAUUMFFQM-LBPRGKRZSA-N 0 1 244.342 2.051 20 0 BEADMN C[C@@H](c1nc(-c2cccnc2)no1)N1CCCC1 ZINC000112975440 176038600 /nfs/dbraw/zinc/03/86/00/176038600.db2.gz PRNZVEHJXZRENW-JTQLQIEISA-N 0 1 244.298 2.288 20 0 BEADMN C[C@@H]1CC/C(=C\C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000364118188 176056174 /nfs/dbraw/zinc/05/61/74/176056174.db2.gz CFOZOIUSCGMQHE-NNMHFZAFSA-N 0 1 248.370 2.086 20 0 BEADMN C[C@@H]1CCCCN(Cc2cnns2)C1 ZINC000336257777 176065682 /nfs/dbraw/zinc/06/56/82/176065682.db2.gz UGDYRFHHYJEQBW-SECBINFHSA-N 0 1 211.334 2.160 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC000354291214 176076173 /nfs/dbraw/zinc/07/61/73/176076173.db2.gz HIDFKIGWPWTAOC-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1 ZINC000302528873 176078973 /nfs/dbraw/zinc/07/89/73/176078973.db2.gz DMTJUHWLEMJXDG-OLZOCXBDSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1CCCC[C@@H]1NC(=O)c1coc(CN)c1 ZINC000187200576 176080544 /nfs/dbraw/zinc/08/05/44/176080544.db2.gz AQGDSPZXNRDKOJ-SKDRFNHKSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1Cc1nccn1C ZINC000066531886 176116657 /nfs/dbraw/zinc/11/66/57/176116657.db2.gz AZLTWAQVMTYSHO-GHMZBOCLSA-N 0 1 207.321 2.183 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)NCCN2CCC2)C1 ZINC000337273808 176136329 /nfs/dbraw/zinc/13/63/29/176136329.db2.gz CQNICILLXHUHIA-OLZOCXBDSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000356983955 176140439 /nfs/dbraw/zinc/14/04/39/176140439.db2.gz WXMINFHUPHJTKB-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)[C@@H]1C ZINC000188420679 176141596 /nfs/dbraw/zinc/14/15/96/176141596.db2.gz CZRNERWZZRERPQ-WZRBSPASSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ncn(C)n1 ZINC000309555403 176145305 /nfs/dbraw/zinc/14/53/05/176145305.db2.gz JNMXVWNBPIYAKF-MXWKQRLJSA-N 0 1 222.336 2.044 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@](C)(N)c2ccccc2)[C@@H]1C ZINC000249047900 176161697 /nfs/dbraw/zinc/16/16/97/176161697.db2.gz WPNBCLPCIUXSAC-JMSVASOKSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@@H]1CCN(C(=O)c2c(O)cccc2F)C1 ZINC000228844095 176162793 /nfs/dbraw/zinc/16/27/93/176162793.db2.gz LGPVFAWMSLULJL-MRVPVSSYSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@@H]1CCN(CC(=O)c2cccn2C)C[C@@H]1C ZINC000123079733 176168137 /nfs/dbraw/zinc/16/81/37/176168137.db2.gz JKYDRTMBRFYYFU-NEPJUHHUSA-N 0 1 234.343 2.186 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(F)cc2F)[C@H]1CO ZINC000248997332 176173490 /nfs/dbraw/zinc/17/34/90/176173490.db2.gz YCJMFUUUXYEZSD-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1C(=O)[O-] ZINC000335444750 176175745 /nfs/dbraw/zinc/17/57/45/176175745.db2.gz URCHOPBOJPEEQF-KOLCDFICSA-N 0 1 239.340 2.291 20 0 BEADMN C[C@H]1CC[C@H](NC(=O)c2coc(CN)c2)CC1 ZINC000336492511 176212199 /nfs/dbraw/zinc/21/21/99/176212199.db2.gz FQUTXTQZATVQQD-HOMQSWHASA-N 0 1 236.315 2.047 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000336541765 176212324 /nfs/dbraw/zinc/21/23/24/176212324.db2.gz NQJSLNXXJYRXQN-GHMZBOCLSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1C ZINC000091327254 176266378 /nfs/dbraw/zinc/26/63/78/176266378.db2.gz OODCHULUHVTPTG-NXEZZACHSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@@H]1C[N@@H+](CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000237446915 176284179 /nfs/dbraw/zinc/28/41/79/176284179.db2.gz RDDAZBKGGFVBEH-YPMHNXCESA-N 0 1 233.311 2.197 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)C[C@H](C2CC2)O1 ZINC000367871354 176291851 /nfs/dbraw/zinc/29/18/51/176291851.db2.gz CQTBFSMWAKCVQH-BXUZGUMPSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(CCc2ccccc2)[C@H](C)CO1 ZINC000097205794 176293884 /nfs/dbraw/zinc/29/38/84/176293884.db2.gz ZZEZGQKVHZKXNV-CHWSQXEVSA-N 0 1 219.328 2.338 20 0 BEADMN C[C@@H]1CN(CCc2cccnc2)C[C@@H](C2CC2)O1 ZINC000279337292 176294011 /nfs/dbraw/zinc/29/40/11/176294011.db2.gz PHXCFJWXTDYYJI-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CCC1=O ZINC000300830911 176296944 /nfs/dbraw/zinc/29/69/44/176296944.db2.gz HJJKFENERIKJQE-NXEZZACHSA-N 0 1 231.286 2.333 20 0 BEADMN C[C@@H]1CN(Cc2cccc(F)c2)CCCO1 ZINC000170771964 176306679 /nfs/dbraw/zinc/30/66/79/176306679.db2.gz YNMJNFWSUNEAQT-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C ZINC000336428221 176313080 /nfs/dbraw/zinc/31/30/80/176313080.db2.gz DRSAVOFGAAPHGY-TXEJJXNPSA-N 0 1 248.374 2.092 20 0 BEADMN C[C@H](C(=O)NCc1ccccc1)N1C[C@@H](C)[C@H]1C ZINC000293245032 176316651 /nfs/dbraw/zinc/31/66/51/176316651.db2.gz BFLUZKWDVQOPAO-JHJVBQTASA-N 0 1 246.354 2.032 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@H]2CSC2(C)C)c2nccn21 ZINC000296615092 176379278 /nfs/dbraw/zinc/37/92/78/176379278.db2.gz YSZUSVMMGIYSFB-OPRDCNLKSA-N 0 1 237.372 2.373 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cs1 ZINC000336418579 176382662 /nfs/dbraw/zinc/38/26/62/176382662.db2.gz QWFBKJYHMAGEOE-VXNVDRBHSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@@H]1C[C@@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000355018534 176392188 /nfs/dbraw/zinc/39/21/88/176392188.db2.gz XQVPRCQBNJNKOA-PHDIDXHHSA-N 0 1 247.220 2.413 20 0 BEADMN CCn1nccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299408 487634122 /nfs/dbraw/zinc/63/41/22/487634122.db2.gz DCXPTDFXEJICGV-AAEUAGOBSA-N 0 1 219.332 2.277 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccs1)[C@H]1CCCO1 ZINC000246737721 176914054 /nfs/dbraw/zinc/91/40/54/176914054.db2.gz FCRCIWRMSWHFRI-KXUCPTDWSA-N 0 1 226.345 2.361 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000129904455 177009299 /nfs/dbraw/zinc/00/92/99/177009299.db2.gz OJTZBAXSQLUDEW-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@H](O)c1ncc(CN(C)CC2CC2)s1 ZINC000289235176 177018801 /nfs/dbraw/zinc/01/88/01/177018801.db2.gz YZPQNXFGJRLPOZ-QMMMGPOBSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@H](c1cccc(F)c1)N(C)Cc1nnc[nH]1 ZINC000174827324 177036633 /nfs/dbraw/zinc/03/66/33/177036633.db2.gz FCMVVVIIILAENB-SECBINFHSA-N 0 1 234.278 2.137 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)[O-] ZINC000049813889 177037459 /nfs/dbraw/zinc/03/74/59/177037459.db2.gz AVNSGAXUKVIYGW-SNVBAGLBSA-N 0 1 207.273 2.154 20 0 BEADMN C[C@H](c1cccnc1)N(C)Cc1ccnc(N)c1 ZINC000299672653 177045710 /nfs/dbraw/zinc/04/57/10/177045710.db2.gz MKKRAMOKXOLYPJ-LLVKDONJSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@H](c1cnccn1)N1CCOCC2(CCC2)C1 ZINC000376371840 177051857 /nfs/dbraw/zinc/05/18/57/177051857.db2.gz VMCGJMJTWGNFQO-GFCCVEGCSA-N 0 1 247.342 2.040 20 0 BEADMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cnn(C)c1 ZINC000335438819 177063929 /nfs/dbraw/zinc/06/39/29/177063929.db2.gz XCQOGVOLZDIHQA-JTQLQIEISA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1CCCC[C@H](C)C1 ZINC000361773065 177071278 /nfs/dbraw/zinc/07/12/78/177071278.db2.gz ZRTNLZPQCUQBIY-QWRGUYRKSA-N 0 1 249.362 2.191 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000051330194 177076935 /nfs/dbraw/zinc/07/69/35/177076935.db2.gz HKVYMGCPAGNYTB-VIFPVBQESA-N 0 1 223.272 2.352 20 0 BEADMN C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc[nH]n1 ZINC000283672310 177081141 /nfs/dbraw/zinc/08/11/41/177081141.db2.gz FARHNNGYZFKNTD-JQWIXIFHSA-N 0 1 207.321 2.420 20 0 BEADMN C[C@H]1CCCC[C@@H]1Nc1ccncc1C(N)=O ZINC000302031056 177083719 /nfs/dbraw/zinc/08/37/19/177083719.db2.gz NFKCRPDARUZNRB-ONGXEEELSA-N 0 1 233.315 2.171 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000104360962 177093440 /nfs/dbraw/zinc/09/34/40/177093440.db2.gz IQGQXLZDQQPXSJ-JSGCOSHPSA-N 0 1 246.354 2.335 20 0 BEADMN C[C@H]1CCCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334341513 177094979 /nfs/dbraw/zinc/09/49/79/177094979.db2.gz OMXLTSVPXUVNLJ-VIFPVBQESA-N 0 1 233.315 2.159 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccoc2C(=O)[O-])C1 ZINC000036926564 177101455 /nfs/dbraw/zinc/10/14/55/177101455.db2.gz YZJZPFBXYMWWOW-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC[C@H](C)C2)s1 ZINC000289096669 177101565 /nfs/dbraw/zinc/10/15/65/177101565.db2.gz LSMYQWYJGSNOOR-VHSXEESVSA-N 0 1 240.372 2.428 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000035432934 177104082 /nfs/dbraw/zinc/10/40/82/177104082.db2.gz HPUGTZJHKNZUCV-VIFPVBQESA-N 0 1 223.272 2.210 20 0 BEADMN C[C@H]1CCCN1CC(=O)N1CCc2ccccc21 ZINC000154485994 177109322 /nfs/dbraw/zinc/10/93/22/177109322.db2.gz HGFBTRYKVMQTFU-LBPRGKRZSA-N 0 1 244.338 2.060 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC000281936434 177121350 /nfs/dbraw/zinc/12/13/50/177121350.db2.gz RVWMRHCRUQYFNE-NWDGAFQWSA-N 0 1 249.358 2.427 20 0 BEADMN C[C@H]1CCC[C@H](C)[N@@H+](CCCC(=O)[O-])C1 ZINC000131019491 177130344 /nfs/dbraw/zinc/13/03/44/177130344.db2.gz QPRHMTDQIARZSK-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)c2coc(CN)c2)C1 ZINC000187358620 177136011 /nfs/dbraw/zinc/13/60/11/177136011.db2.gz QOJMCSNIIDIIFS-ONGXEEELSA-N 0 1 236.315 2.047 20 0 BEADMN C[C@H]1CCC[C@H](Nc2ncnc3[nH]cnc32)C1 ZINC000037253031 177137931 /nfs/dbraw/zinc/13/79/31/177137931.db2.gz ZFMZDMSQNXUVEM-IUCAKERBSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@H]1CCN(C(=O)c2c(O)cccc2F)C1 ZINC000228844102 177152855 /nfs/dbraw/zinc/15/28/55/177152855.db2.gz LGPVFAWMSLULJL-QMMMGPOBSA-N 0 1 223.247 2.013 20 0 BEADMN C[C@H]1CCN(C(=O)c2ccc3cncn3c2)[C@H]1C ZINC000284549775 177153470 /nfs/dbraw/zinc/15/34/70/177153470.db2.gz BKFSDKSILUZBSB-QWRGUYRKSA-N 0 1 243.310 2.205 20 0 BEADMN C[C@H]1CCN(C(=O)c2cnc[nH]2)CC12CCC2 ZINC000271316161 177155566 /nfs/dbraw/zinc/15/55/66/177155566.db2.gz JRAGHGQUTKYNNR-JTQLQIEISA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H](O)c1ncc(CN2CC[C@H](C)C2)s1 ZINC000289171509 177166616 /nfs/dbraw/zinc/16/66/16/177166616.db2.gz RWDQZTSMTHBJQP-DTWKUNHWSA-N 0 1 226.345 2.038 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)OC(C)(C)C ZINC000123184218 177186299 /nfs/dbraw/zinc/18/62/99/177186299.db2.gz SLLDRSLXDLYTCU-AOOOYVTPSA-N 0 1 213.321 2.201 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC000336541768 177193038 /nfs/dbraw/zinc/19/30/38/177193038.db2.gz NQJSLNXXJYRXQN-WDEREUQCSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)c1cccn1C ZINC000123242840 177199038 /nfs/dbraw/zinc/19/90/38/177199038.db2.gz WCJZKAXMFRRSML-QWRGUYRKSA-N 0 1 220.316 2.081 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000310361200 177206710 /nfs/dbraw/zinc/20/67/10/177206710.db2.gz KHKZDGRYQKRFRS-WCBMZHEXSA-N 0 1 229.283 2.091 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H](C)N1 ZINC000070075714 177215086 /nfs/dbraw/zinc/21/50/86/177215086.db2.gz WUIPBWBBXLLXDW-TXEJJXNPSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)N1CCN[C@@H](C)C1 ZINC000237615895 177222543 /nfs/dbraw/zinc/22/25/43/177222543.db2.gz YUDLONXXGVTTHT-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CN(C(=O)c2c(O)cccc2F)C[C@@H]1C ZINC000228857195 177225621 /nfs/dbraw/zinc/22/56/21/177225621.db2.gz QIYYRCXYEJFOKF-IUCAKERBSA-N 0 1 237.274 2.259 20 0 BEADMN C[C@H]1CN(CC(=O)N(C)C2CCCCC2)[C@H]1C ZINC000336468600 177241947 /nfs/dbraw/zinc/24/19/47/177241947.db2.gz XMLFYPKJUHDRKZ-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCC(F)(F)C2)CCC1=O ZINC000300830913 177257674 /nfs/dbraw/zinc/25/76/74/177257674.db2.gz HJJKFENERIKJQE-VHSXEESVSA-N 0 1 231.286 2.333 20 0 BEADMN C[C@H]1CN(Cc2cnc[nH]2)Cc2ccccc2O1 ZINC000292302064 177260290 /nfs/dbraw/zinc/26/02/90/177260290.db2.gz DFSMYNBYDLUGLU-NSHDSACASA-N 0 1 243.310 2.193 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H](C)N1C ZINC000354436904 177262176 /nfs/dbraw/zinc/26/21/76/177262176.db2.gz DILDFLDDLHXXCQ-AOOOYVTPSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)c2)CC(C)(C)O1 ZINC000119518229 177267367 /nfs/dbraw/zinc/26/73/67/177267367.db2.gz VICZJFPORMFEAP-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN C[C@H]1CN(Cc2ncc[nH]2)CC(C)(C)C1 ZINC000336351215 177270477 /nfs/dbraw/zinc/27/04/77/177270477.db2.gz BMCGBKBOCBLZPL-SNVBAGLBSA-N 0 1 207.321 2.278 20 0 BEADMN C[C@H]1CN(Cc2nc3ccccc3s2)C[C@H]1O ZINC000351820618 177270779 /nfs/dbraw/zinc/27/07/79/177270779.db2.gz AIGWQTUAACUSFR-GXSJLCMTSA-N 0 1 248.351 2.109 20 0 BEADMN C[C@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1C ZINC000336428220 177272137 /nfs/dbraw/zinc/27/21/37/177272137.db2.gz DRSAVOFGAAPHGY-RYUDHWBXSA-N 0 1 248.374 2.092 20 0 BEADMN C[C@H]1CNCCN1C(=O)CCCC(C)(C)C ZINC000125602227 177283118 /nfs/dbraw/zinc/28/31/18/177283118.db2.gz ONIIADMEYJFTOH-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ncccn2)C1 ZINC000361840164 177314144 /nfs/dbraw/zinc/31/41/44/177314144.db2.gz PYBXFXYNPYHZDJ-GRYCIOLGSA-N 0 1 219.332 2.343 20 0 BEADMN C[C@@H]1C[C@H](C)N(Cc2cn(C(C)(C)C)nn2)C1 ZINC000336465319 177316945 /nfs/dbraw/zinc/31/69/45/177316945.db2.gz JRAQMTLZOUCWQM-MNOVXSKESA-N 0 1 236.363 2.263 20 0 BEADMN C[C@H]1C[C@@H](C[N@@H+](C)Cc2cscn2)CCO1 ZINC000352691439 177323776 /nfs/dbraw/zinc/32/37/76/177323776.db2.gz LWPALPZLUAOQCG-QWRGUYRKSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1C[C@@H](CN(C)Cc2cscn2)CCO1 ZINC000352691439 177323777 /nfs/dbraw/zinc/32/37/77/177323777.db2.gz LWPALPZLUAOQCG-QWRGUYRKSA-N 0 1 240.372 2.390 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1nc2ccccc2s1 ZINC000334208936 177337470 /nfs/dbraw/zinc/33/74/70/177337470.db2.gz CWSADESPHJIPBK-VHSXEESVSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cn(C(C)(C)C)nn2)C1 ZINC000336465320 177359696 /nfs/dbraw/zinc/35/96/96/177359696.db2.gz JRAQMTLZOUCWQM-QWRGUYRKSA-N 0 1 236.363 2.263 20 0 BEADMN C[C@H]1C[C@H]1CNCc1nccc(C(F)F)n1 ZINC000336778811 177382331 /nfs/dbraw/zinc/38/23/31/177382331.db2.gz MKDNSDUKTPOZAY-YUMQZZPRSA-N 0 1 227.258 2.160 20 0 BEADMN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@H+]1C ZINC000082337190 177389578 /nfs/dbraw/zinc/38/95/78/177389578.db2.gz TVMPRBASPQRGEU-SMDDNHRTSA-N 0 1 244.338 2.058 20 0 BEADMN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1C ZINC000082337190 177389580 /nfs/dbraw/zinc/38/95/80/177389580.db2.gz TVMPRBASPQRGEU-SMDDNHRTSA-N 0 1 244.338 2.058 20 0 BEADMN Cc1n[nH]c(C(=O)NCCCC(F)(F)F)c1C ZINC000266529077 177536298 /nfs/dbraw/zinc/53/62/98/177536298.db2.gz JXIXPROYDYWEDZ-UHFFFAOYSA-N 0 1 249.236 2.099 20 0 BEADMN CC[C@H]1CCN([C@H](C)c2nc(C)no2)C1 ZINC000674868213 487639171 /nfs/dbraw/zinc/63/91/71/487639171.db2.gz OPJSOWGOSQAOPP-SCZZXKLOSA-N 0 1 209.293 2.171 20 0 BEADMN CC(C)=CC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038027446 487639468 /nfs/dbraw/zinc/63/94/68/487639468.db2.gz ISODRBKXUMMFOV-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN CC1(c2nc([C@@H]3CCCN3)no2)CCCC1 ZINC000087318844 487640816 /nfs/dbraw/zinc/64/08/16/487640816.db2.gz GLRKKPJIJVUEGJ-VIFPVBQESA-N 0 1 221.304 2.326 20 0 BEADMN C[C@H]1CC(C)(C)C[C@H]1NCC(F)(F)CO ZINC000193149521 224799538 /nfs/dbraw/zinc/79/95/38/224799538.db2.gz SRGSFNSOVRGHPL-DTWKUNHWSA-N 0 1 221.291 2.028 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2CC[C@@H](C)C2)[nH]1 ZINC001652464149 1173087718 /nfs/dbraw/zinc/08/77/18/1173087718.db2.gz VOZSITWNEPMGTC-MNOVXSKESA-N 0 1 249.358 2.415 20 0 BEADMN C[C@@H]1C[C@H](O)CN1Cc1cc2c(cccc2F)[nH]1 ZINC000471810909 225084136 /nfs/dbraw/zinc/08/41/36/225084136.db2.gz QHUQGWJXXJATCE-KOLCDFICSA-N 0 1 248.301 2.262 20 0 BEADMN Cc1noc(C)c1CNC/C=C\c1ccncc1 ZINC000486953849 225275701 /nfs/dbraw/zinc/27/57/01/225275701.db2.gz AQRGAPQDBQGLAC-ARJAWSKDSA-N 0 1 243.310 2.489 20 0 BEADMN C[C@H](CO)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000678044503 487644896 /nfs/dbraw/zinc/64/48/96/487644896.db2.gz SRCHWEBVAMWBGL-KCQAQPDRSA-N 0 1 249.354 2.077 20 0 BEADMN COc1ccnc(NCc2cncc(F)c2)c1 ZINC000489768504 225488140 /nfs/dbraw/zinc/48/81/40/225488140.db2.gz DASQSRKXWRNCRM-UHFFFAOYSA-N 0 1 233.246 2.236 20 0 BEADMN CC(C)(C)OCCCN1CCOCC1(C)C ZINC000674904383 487648136 /nfs/dbraw/zinc/64/81/36/487648136.db2.gz UFGAFIZCZVOPAY-UHFFFAOYSA-N 0 1 229.364 2.302 20 0 BEADMN O=C(C=CC1CCC1)Nc1nc(C2CCC2)n[nH]1 ZINC000492579731 226021224 /nfs/dbraw/zinc/02/12/24/226021224.db2.gz IEINTJJQEWPNQG-FPLPWBNLSA-N 0 1 246.314 2.367 20 0 BEADMN O=C(/C=C\C1CCC1)Nc1n[nH]c(C2CCC2)n1 ZINC000492579731 226021229 /nfs/dbraw/zinc/02/12/29/226021229.db2.gz IEINTJJQEWPNQG-FPLPWBNLSA-N 0 1 246.314 2.367 20 0 BEADMN O=C(/C=C/C1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000493045567 226111205 /nfs/dbraw/zinc/11/12/05/226111205.db2.gz IYTIPMPEEIBYAG-DTEKQVELSA-N 0 1 248.370 2.086 20 0 BEADMN COCCN(Cc1cccc2c1OCO2)C1CC1 ZINC000507116203 226365679 /nfs/dbraw/zinc/36/56/79/226365679.db2.gz KECREYIMRHWISR-UHFFFAOYSA-N 0 1 249.310 2.026 20 0 BEADMN COc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000079489014 487650808 /nfs/dbraw/zinc/65/08/08/487650808.db2.gz JHFSRPKPAWRAJZ-AWEZNQCLSA-N 0 1 249.310 2.134 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(F)c1 ZINC000079488344 487650842 /nfs/dbraw/zinc/65/08/42/487650842.db2.gz ZHGXBBJBGCEMJW-CYBMUJFWSA-N 0 1 237.274 2.265 20 0 BEADMN CC(C)n1ncnc1CNCC1(C)CCC1 ZINC000232786014 487653709 /nfs/dbraw/zinc/65/37/09/487653709.db2.gz HGFIEHJHEOSZRZ-UHFFFAOYSA-N 0 1 222.336 2.139 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000674911210 487653722 /nfs/dbraw/zinc/65/37/22/487653722.db2.gz GZXHDXQHCPHYIX-JSGCOSHPSA-N 0 1 232.327 2.255 20 0 BEADMN CC[C@H](O)CNc1ccc2c(c1)nc(C)n2C ZINC000563004617 487656983 /nfs/dbraw/zinc/65/69/83/487656983.db2.gz LAOLYFWQHBUQOP-NSHDSACASA-N 0 1 233.315 2.065 20 0 BEADMN CC(C)CC1(CNC(=O)[C@H](C)N(C)C)CCC1 ZINC000674945310 487659104 /nfs/dbraw/zinc/65/91/04/487659104.db2.gz PUBZTVXVILPMOY-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)COCCN1CC[C@H](C)[C@H](F)C1 ZINC000669692073 487668358 /nfs/dbraw/zinc/66/83/58/487668358.db2.gz DDTAKUTZEUOHHY-NWDGAFQWSA-N 0 1 217.328 2.339 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1cncc(F)c1 ZINC000447610055 229163558 /nfs/dbraw/zinc/16/35/58/229163558.db2.gz ZZQYCKCUGPFLSQ-ZJUUUORDSA-N 0 1 248.305 2.366 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000675131688 487672475 /nfs/dbraw/zinc/67/24/75/487672475.db2.gz PGLKPCFKZZPWBM-UWVGGRQHSA-N 0 1 235.331 2.134 20 0 BEADMN Cc1cc(CNC(=O)[C@H](C)CC(C)C)n[nH]1 ZINC000680928668 487672693 /nfs/dbraw/zinc/67/26/93/487672693.db2.gz IQPGSWJBKAZLPW-SECBINFHSA-N 0 1 223.320 2.017 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCCCC1(C)C)N(C)C ZINC000675147249 487675345 /nfs/dbraw/zinc/67/53/45/487675345.db2.gz GDXDPKRTHYJOTM-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)N(C(=O)Cc1ccn[nH]1)C1CC(C)(C)C1 ZINC000457079919 487677366 /nfs/dbraw/zinc/67/73/66/487677366.db2.gz VGPNEPMMYVXKRI-UHFFFAOYSA-N 0 1 249.358 2.378 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2C[C@@H](C)O)co1 ZINC000383958255 487683757 /nfs/dbraw/zinc/68/37/57/487683757.db2.gz HIWWBZGIERAMIT-ZWNOBZJWSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2C[C@H](C)O)co1 ZINC000383958248 487683788 /nfs/dbraw/zinc/68/37/88/487683788.db2.gz HIWWBZGIERAMIT-GWCFXTLKSA-N 0 1 238.331 2.108 20 0 BEADMN Fc1cnccc1CN1CC[C@H]1C1CC1 ZINC000336216404 487690228 /nfs/dbraw/zinc/69/02/28/487690228.db2.gz YGOKBXRANPORFS-LBPRGKRZSA-N 0 1 206.264 2.205 20 0 BEADMN CCCC[C@@H](CC)CNC(=O)C1(N(C)C)CC1 ZINC000666005747 487691202 /nfs/dbraw/zinc/69/12/02/487691202.db2.gz XITRWERVQDKCDL-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)[C@H](C)N(C)C ZINC000653956628 487693380 /nfs/dbraw/zinc/69/33/80/487693380.db2.gz WBOYBKBAHQJNCJ-YNEHKIRRSA-N 0 1 240.391 2.076 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)[C@@H]2C)n1C ZINC000667649944 487695227 /nfs/dbraw/zinc/69/52/27/487695227.db2.gz HIUMLZZORQCSRB-VHSXEESVSA-N 0 1 239.388 2.054 20 0 BEADMN O=C(NCc1ccco1)c1cccc2nc[nH]c21 ZINC000074732350 262923366 /nfs/dbraw/zinc/92/33/66/262923366.db2.gz CBPGZEVXCHYSQB-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN CC[C@H]1COC[C@H]1NCc1ncccc1Cl ZINC000528548337 262958927 /nfs/dbraw/zinc/95/89/27/262958927.db2.gz BQBRULDGWRTLCG-JOYOIKCWSA-N 0 1 240.734 2.250 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1C ZINC000097850432 487704952 /nfs/dbraw/zinc/70/49/52/487704952.db2.gz UPTAJJKRAZBLJN-LBPRGKRZSA-N 0 1 239.290 2.429 20 0 BEADMN Cc1cc(CN[C@H]2CCC23CCC3)no1 ZINC000309238334 487707502 /nfs/dbraw/zinc/70/75/02/487707502.db2.gz XXHJQSKUWAPWNW-NSHDSACASA-N 0 1 206.289 2.405 20 0 BEADMN C[C@@H](NCCCF)c1nnc2n1CCCCC2 ZINC000683896304 487709249 /nfs/dbraw/zinc/70/92/49/487709249.db2.gz UGJZFODFNGMITO-SNVBAGLBSA-N 0 1 240.326 2.015 20 0 BEADMN COc1cccc(CN2CC[C@H](OC)C2)c1F ZINC000669708553 487712678 /nfs/dbraw/zinc/71/26/78/487712678.db2.gz TTWWHTDMGIPPFW-NSHDSACASA-N 0 1 239.290 2.055 20 0 BEADMN C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C ZINC000674244511 487716241 /nfs/dbraw/zinc/71/62/41/487716241.db2.gz PLXLRXXOCZVQGW-JTQLQIEISA-N 0 1 232.327 2.064 20 0 BEADMN Cc1ncc(CN2CCCOC[C@H]2C)s1 ZINC000676711188 487719540 /nfs/dbraw/zinc/71/95/40/487719540.db2.gz BJKCJFNEACEGKL-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCOC[C@H]2C)s1 ZINC000676711188 487719536 /nfs/dbraw/zinc/71/95/36/487719536.db2.gz BJKCJFNEACEGKL-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCC1CCCCC1 ZINC000082718048 487721737 /nfs/dbraw/zinc/72/17/37/487721737.db2.gz PRQAXUQOEKGHKL-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1scnc1C1CC1 ZINC000668422158 487727761 /nfs/dbraw/zinc/72/77/61/487727761.db2.gz RSJJPQDGBCVABI-UHFFFAOYSA-N 0 1 248.355 2.376 20 0 BEADMN Cc1cscc1CNC[C@H](O)C(F)(F)F ZINC000087310697 487731347 /nfs/dbraw/zinc/73/13/47/487731347.db2.gz MLRWSOBMNYHAOH-QMMMGPOBSA-N 0 1 239.262 2.069 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)CCc1cnc[nH]1 ZINC000457293240 487739908 /nfs/dbraw/zinc/73/99/08/487739908.db2.gz PVNMDLRMNYAHJL-FZMZJTMJSA-N 0 1 249.358 2.427 20 0 BEADMN CC/C=C\CCN1CCO[C@@H](COC(C)C)C1 ZINC000681169344 487742176 /nfs/dbraw/zinc/74/21/76/487742176.db2.gz BIXIJOLDLZZZTJ-GEXIGZQTSA-N 0 1 241.375 2.469 20 0 BEADMN Fc1ccc2oc(CNC3CC3)nc2c1 ZINC000082878971 487743548 /nfs/dbraw/zinc/74/35/48/487743548.db2.gz OGKUCLGPBVJXHU-UHFFFAOYSA-N 0 1 206.220 2.219 20 0 BEADMN Cc1cc(CNC(=O)Nc2ccsc2)n[nH]1 ZINC000675620203 487754199 /nfs/dbraw/zinc/75/41/99/487754199.db2.gz CIJKPMBNUBEALJ-UHFFFAOYSA-N 0 1 236.300 2.101 20 0 BEADMN CCC[C@@H](C)C[N@@H+](C)[C@H](CC)C(=O)[O-] ZINC000251391893 487754730 /nfs/dbraw/zinc/75/47/30/487754730.db2.gz YEEBPMRNHBQXPO-NXEZZACHSA-N 0 1 201.310 2.218 20 0 BEADMN C1CN[C@H](c2noc([C@H]3[C@@H]4CCC[C@@H]43)n2)C1 ZINC000251413168 487755332 /nfs/dbraw/zinc/75/53/32/487755332.db2.gz RHDANIQBSCRMBA-QCLAVDOMSA-N 0 1 219.288 2.008 20 0 BEADMN CCCC[C@H]1CCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674263579 487757579 /nfs/dbraw/zinc/75/75/79/487757579.db2.gz LGZXQAZDTYWHDH-RWMBFGLXSA-N 0 1 240.391 2.412 20 0 BEADMN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674263581 487757618 /nfs/dbraw/zinc/75/76/18/487757618.db2.gz LGZXQAZDTYWHDH-YNEHKIRRSA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@H](C(=O)OCCC1CC1)N(CC)CC ZINC000745094199 585156459 /nfs/dbraw/zinc/15/64/59/585156459.db2.gz WZFABOATOBYGTI-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccn(C)n1 ZINC000666229667 487764548 /nfs/dbraw/zinc/76/45/48/487764548.db2.gz UZTHFZZCDBBJCI-XHNCKOQMSA-N 0 1 229.274 2.114 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)C1(N(C)C)CC1 ZINC000668923729 487766458 /nfs/dbraw/zinc/76/64/58/487766458.db2.gz FDBRWDLDUONWFM-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC[C@@](C)(CCO)NCc1nc2ccccc2o1 ZINC000675695528 487767689 /nfs/dbraw/zinc/76/76/89/487767689.db2.gz DJHBRDQUEZCBPK-AWEZNQCLSA-N 0 1 248.326 2.469 20 0 BEADMN CN(C)C1(C(=O)NCCC2CCCCC2)CC1 ZINC000666247004 487768935 /nfs/dbraw/zinc/76/89/35/487768935.db2.gz HLXCCDNZZFRLEY-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CC(C)(C)OC(C)(C)C1 ZINC001172652816 974895097 /nfs/dbraw/zinc/89/50/97/974895097.db2.gz VIBGVGMHQPKKSL-UHFFFAOYSA-N 0 1 241.399 2.207 20 0 BEADMN [CH2]CCN(CC[NH3+])C1CC(C)(C)OC(C)(C)C1 ZINC001172652816 974895102 /nfs/dbraw/zinc/89/51/02/974895102.db2.gz VIBGVGMHQPKKSL-UHFFFAOYSA-N 0 1 241.399 2.207 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)CN(CC)C1CC1 ZINC000357761429 487772444 /nfs/dbraw/zinc/77/24/44/487772444.db2.gz LRQVCWYPYUBNRF-NEPJUHHUSA-N 0 1 238.375 2.260 20 0 BEADMN CCc1nc([C@@H](C)N2CCC[C@@H](C)C2)n[nH]1 ZINC000659828938 487777179 /nfs/dbraw/zinc/77/71/79/487777179.db2.gz KQNUGOMNBJPGRH-NXEZZACHSA-N 0 1 222.336 2.160 20 0 BEADMN C[C@@H]1CCN(CCc2cccnc2)C[C@H]1F ZINC000679217595 487781553 /nfs/dbraw/zinc/78/15/53/487781553.db2.gz AASKWMGOGVAYNS-DGCLKSJQSA-N 0 1 222.307 2.304 20 0 BEADMN Cc1cc(OCc2ccno2)cc(C)n1 ZINC000681359817 487784097 /nfs/dbraw/zinc/78/40/97/487784097.db2.gz SGFAZQNXUCBCJU-UHFFFAOYSA-N 0 1 204.229 2.265 20 0 BEADMN C[C@@H]1OCCN(CCCOC(C)(C)C)[C@H]1C ZINC000675897336 487790116 /nfs/dbraw/zinc/79/01/16/487790116.db2.gz RJPDSJSTXRZBAM-RYUDHWBXSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@@H]1C[C@H](NC2CC3(CCC3)C2)c2ncnn21 ZINC000668469358 487793740 /nfs/dbraw/zinc/79/37/40/487793740.db2.gz VCGKLHVYUNZEEZ-KOLCDFICSA-N 0 1 232.331 2.206 20 0 BEADMN O=C(C1CC1)[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 ZINC000340573679 487795110 /nfs/dbraw/zinc/79/51/10/487795110.db2.gz FCHTXJRLCBOZII-TZMCWYRMSA-N 0 1 249.354 2.023 20 0 BEADMN O=C(c1ccc(F)cc1O)N1CCC[C@H]2C[C@H]21 ZINC000672133347 487795256 /nfs/dbraw/zinc/79/52/56/487795256.db2.gz CKGHNZVQUVSHOX-GZMMTYOYSA-N 0 1 235.258 2.156 20 0 BEADMN CCC(C)(CC)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000681001998 487797025 /nfs/dbraw/zinc/79/70/25/487797025.db2.gz ZGBIFJRFWHOFFJ-NWDGAFQWSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)n[nH]1 ZINC000681476790 487802699 /nfs/dbraw/zinc/80/26/99/487802699.db2.gz YWPDSFVHNIKITC-AAEUAGOBSA-N 0 1 235.331 2.017 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1nc(C)sc1C ZINC000223930701 487803113 /nfs/dbraw/zinc/80/31/13/487803113.db2.gz FWDBFCGYJFCGNJ-YUMQZZPRSA-N 0 1 228.361 2.445 20 0 BEADMN C[C@@H]1COCCCN1Cc1cc2cnccc2o1 ZINC000651642973 487809601 /nfs/dbraw/zinc/80/96/01/487809601.db2.gz MKQKNRUHVQQNDF-LLVKDONJSA-N 0 1 246.310 2.439 20 0 BEADMN Cc1nc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)c(C)s1 ZINC000669427158 487817078 /nfs/dbraw/zinc/81/70/78/487817078.db2.gz TWPXPDFWNNCKEW-XXFPWJFMSA-N 0 1 240.372 2.324 20 0 BEADMN CC[C@](C)(CNCc1nccn1C(F)F)OC ZINC000322714978 487821595 /nfs/dbraw/zinc/82/15/95/487821595.db2.gz QTDVJGHHHOUTIX-LLVKDONJSA-N 0 1 247.289 2.183 20 0 BEADMN C[C@@H]1CCCN1Cc1cnnn1-c1ccccc1 ZINC000676211745 487822357 /nfs/dbraw/zinc/82/23/57/487822357.db2.gz VUDOHJLTEVRUJN-GFCCVEGCSA-N 0 1 242.326 2.252 20 0 BEADMN CC(C)C[C@@H](C)N1CCO[C@@H](C(F)F)C1 ZINC000829506841 587500762 /nfs/dbraw/zinc/50/07/62/587500762.db2.gz YTPKATVVDQXTBT-NXEZZACHSA-N 0 1 221.291 2.387 20 0 BEADMN CC(C)C1CN(Cc2c(C3CC3)cnn2C)C1 ZINC000668090658 487834312 /nfs/dbraw/zinc/83/43/12/487834312.db2.gz PMWVHCKVXGLYMS-UHFFFAOYSA-N 0 1 233.359 2.385 20 0 BEADMN C[N@@H+](CCC(=O)[O-])CC(C)(C)c1ccccc1 ZINC000666581267 487835164 /nfs/dbraw/zinc/83/51/64/487835164.db2.gz NYAYATUZRYVKIS-UHFFFAOYSA-N 0 1 235.327 2.371 20 0 BEADMN COC[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851780865 588627267 /nfs/dbraw/zinc/62/72/67/588627267.db2.gz LXWSNLIBBYDUDC-QMMMGPOBSA-N 0 1 224.131 2.274 20 0 BEADMN C[C@]12COC[C@H]1CN(CC=C(Cl)Cl)C2 ZINC000852534436 588688535 /nfs/dbraw/zinc/68/85/35/588688535.db2.gz AHZSATZSIPXFDR-SCZZXKLOSA-N 0 1 236.142 2.274 20 0 BEADMN CCCCC[C@H](C)NC(=O)[C@@H](C)N(C)C ZINC000873958531 590078919 /nfs/dbraw/zinc/07/89/19/590078919.db2.gz XSCLRPATSFYEQS-WDEREUQCSA-N 0 1 214.353 2.022 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)C[C@H]1C ZINC000253072394 487846848 /nfs/dbraw/zinc/84/68/48/487846848.db2.gz NZCBHDVYUPAZEW-VHSXEESVSA-N 0 1 237.299 2.456 20 0 BEADMN CCc1noc(CN2CC[C@H]3CCC[C@@H]32)n1 ZINC000681710990 487847221 /nfs/dbraw/zinc/84/72/21/487847221.db2.gz ANEAUYGCNPKKPF-ZJUUUORDSA-N 0 1 221.304 2.006 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@H]2CCC[C@@H]21 ZINC000681711636 487848373 /nfs/dbraw/zinc/84/83/73/487848373.db2.gz GALRGAPKYDLOLU-KOLCDFICSA-N 0 1 233.315 2.321 20 0 BEADMN Cc1cncc(CCN[C@@H](C)c2nccs2)n1 ZINC000402745696 487849107 /nfs/dbraw/zinc/84/91/07/487849107.db2.gz VTBIEKMTSIXPAY-JTQLQIEISA-N 0 1 248.355 2.135 20 0 BEADMN C[C@](N)(C(=O)NC1CC(C)(C)C1)c1ccccc1 ZINC000395295154 487850245 /nfs/dbraw/zinc/85/02/45/487850245.db2.gz MRPVDPYWLVVCPM-OAHLLOKOSA-N 0 1 246.354 2.165 20 0 BEADMN CCc1cc(=O)n(CCCOc2ccccc2)[nH]1 ZINC000109351745 487862284 /nfs/dbraw/zinc/86/22/84/487862284.db2.gz DCRHDEOKZJCMOX-UHFFFAOYSA-N 0 1 246.310 2.454 20 0 BEADMN C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](C)C(C)(C)C ZINC000670264586 487865306 /nfs/dbraw/zinc/86/53/06/487865306.db2.gz ZFXHXLSLWSRHOE-MNOVXSKESA-N 0 1 249.420 2.034 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)[C@@H](C)CO1 ZINC000651931169 487869110 /nfs/dbraw/zinc/86/91/10/487869110.db2.gz MNIHDSNXMDHMNJ-WCQYABFASA-N 0 1 222.332 2.024 20 0 BEADMN C[C@H](C1CCCCC1)N(C)C(=O)Cc1ccn[nH]1 ZINC000282562313 487869411 /nfs/dbraw/zinc/86/94/11/487869411.db2.gz UJVYJROPROEPJR-LLVKDONJSA-N 0 1 249.358 2.379 20 0 BEADMN CO[C@@H](C)CNCc1nc2c(s1)CCCC2 ZINC000309986461 487886413 /nfs/dbraw/zinc/88/64/13/487886413.db2.gz YNCCQHZJTJGUOF-VIFPVBQESA-N 0 1 240.372 2.146 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(O)cc1C ZINC000676648813 487887108 /nfs/dbraw/zinc/88/71/08/487887108.db2.gz LFGHASKGGKWNLW-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN COC[C@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682070911 487891923 /nfs/dbraw/zinc/89/19/23/487891923.db2.gz GNQGUWDGUWZSDM-UKRRQHHQSA-N 0 1 247.338 2.021 20 0 BEADMN Fc1ccc2c(c1)CN([C@@H]1CCCOC1)CC2 ZINC000676709509 487897372 /nfs/dbraw/zinc/89/73/72/487897372.db2.gz LDPVKXXKYDNJTI-CQSZACIVSA-N 0 1 235.302 2.363 20 0 BEADMN C[C@@H]1COCCCN1Cc1cccc(F)c1 ZINC000676710850 487898459 /nfs/dbraw/zinc/89/84/59/487898459.db2.gz LRAVACHYRRDTEB-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN C[C@H]1COCCCN1Cc1ccccc1F ZINC000676710951 487899487 /nfs/dbraw/zinc/89/94/87/487899487.db2.gz NJHCPMQEDRRMEF-NSHDSACASA-N 0 1 223.291 2.437 20 0 BEADMN C[C@@H]1COCCCN1Cc1ccc(F)cc1 ZINC000676713349 487899947 /nfs/dbraw/zinc/89/99/47/487899947.db2.gz GPNCSGFTQXUCLT-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN CCC[C@@H](C)N1CCn2cc(C)nc2C1 ZINC000682078107 487902895 /nfs/dbraw/zinc/90/28/95/487902895.db2.gz UVINLOHIKAEADO-LLVKDONJSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1ccc(CN2CCCOC[C@H]2C)nc1 ZINC000676714970 487904014 /nfs/dbraw/zinc/90/40/14/487904014.db2.gz ZQVPRNKRWBIJLD-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000652764816 487907241 /nfs/dbraw/zinc/90/72/41/487907241.db2.gz QBFSQMQUHXONEV-JTQLQIEISA-N 0 1 249.358 2.380 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccsc1 ZINC000669900207 487912934 /nfs/dbraw/zinc/91/29/34/487912934.db2.gz HVXFHQRARZWHLC-ONGXEEELSA-N 0 1 238.356 2.020 20 0 BEADMN CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000083643623 487926135 /nfs/dbraw/zinc/92/61/35/487926135.db2.gz OVYRFQLLEYAZFZ-LBPRGKRZSA-N 0 1 219.284 2.080 20 0 BEADMN CC(C)O[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000404562351 487927360 /nfs/dbraw/zinc/92/73/60/487927360.db2.gz UUMCUCNSNYNBNQ-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN Fc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000676791865 487929362 /nfs/dbraw/zinc/92/93/62/487929362.db2.gz ATFOBLKNAKMFTC-UHFFFAOYSA-N 0 1 231.274 2.107 20 0 BEADMN CCc1ccccc1CC[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000652363962 487932482 /nfs/dbraw/zinc/93/24/82/487932482.db2.gz SWGJIUNSWPFXNA-AWEZNQCLSA-N 0 1 247.338 2.341 20 0 BEADMN Cc1ccc(CCN2CCc3c[nH]nc3C2)cc1 ZINC000676797653 487932825 /nfs/dbraw/zinc/93/28/25/487932825.db2.gz VOYQOLXFKKVDDH-UHFFFAOYSA-N 0 1 241.338 2.319 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCCC(C)(C)C1)N(C)C ZINC000682364476 487940098 /nfs/dbraw/zinc/94/00/98/487940098.db2.gz ILEUFMNYSIJHSL-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN O=C([O-])c1ccccc1CC[N@@H+]1CC=CCC1 ZINC000652393027 487942179 /nfs/dbraw/zinc/94/21/79/487942179.db2.gz TWILCFDZIMODDL-UHFFFAOYSA-N 0 1 231.295 2.189 20 0 BEADMN C[C@](O)(CN[C@@H]1CCCC[C@H]1F)C(F)(F)F ZINC000569568090 322970678 /nfs/dbraw/zinc/97/06/78/322970678.db2.gz CWKNERZQJXASFY-HLTSFMKQSA-N 0 1 243.244 2.170 20 0 BEADMN Cc1cnccc1CN[C@H](CO)c1ccsc1 ZINC000560118947 322983095 /nfs/dbraw/zinc/98/30/95/322983095.db2.gz MHSATHJADFBIBT-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN Cc1cc(C)c(CNCC2(F)CC2)cn1 ZINC000560156360 322983290 /nfs/dbraw/zinc/98/32/90/322983290.db2.gz SROPFAURZKCAIT-UHFFFAOYSA-N 0 1 208.280 2.290 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000560274202 322985064 /nfs/dbraw/zinc/98/50/64/322985064.db2.gz FMWFJKOSVNSDPR-RYUDHWBXSA-N 0 1 249.358 2.041 20 0 BEADMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cn[nH]c1 ZINC000560343633 322985974 /nfs/dbraw/zinc/98/59/74/322985974.db2.gz QTUIOEUWESRRKL-FZMZJTMJSA-N 0 1 245.326 2.102 20 0 BEADMN CC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000150866638 323001203 /nfs/dbraw/zinc/00/12/03/323001203.db2.gz SJLMSPSNUPJCLO-UHFFFAOYSA-N 0 1 247.273 2.118 20 0 BEADMN COC(C)(C)CN(C)Cc1cncc(F)c1 ZINC000561860811 323007999 /nfs/dbraw/zinc/00/79/99/323007999.db2.gz HCNJQZWWVQHBQH-UHFFFAOYSA-N 0 1 226.295 2.078 20 0 BEADMN FC(F)(F)C1CN(CCC2CCOCC2)C1 ZINC000562535472 323023301 /nfs/dbraw/zinc/02/33/01/323023301.db2.gz HEVPOGUQSWTYKW-UHFFFAOYSA-N 0 1 237.265 2.297 20 0 BEADMN Cc1cc(CNCCc2ccc(C)nc2)no1 ZINC000562686562 323027677 /nfs/dbraw/zinc/02/76/77/323027677.db2.gz RLAVKFDRLPFYLP-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000323346082 323028746 /nfs/dbraw/zinc/02/87/46/323028746.db2.gz YWURGJGRPMSNJY-VCDPDADVSA-N 0 1 245.322 2.496 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000562852837 323032140 /nfs/dbraw/zinc/03/21/40/323032140.db2.gz AZSBCOUCBYJUEP-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc(CC(=O)Nc2cc(C)ccc2F)n[nH]1 ZINC000151904398 323033015 /nfs/dbraw/zinc/03/30/15/323033015.db2.gz LBKPMOFANGBLOY-UHFFFAOYSA-N 0 1 247.273 2.347 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC=CCC1 ZINC000572973377 323037754 /nfs/dbraw/zinc/03/77/54/323037754.db2.gz VVMZNYUQQUKTEE-NWDGAFQWSA-N 0 1 247.342 2.061 20 0 BEADMN Cc1ccnc(CN[C@@H]2CCC2(C)C)n1 ZINC000569738529 323039434 /nfs/dbraw/zinc/03/94/34/323039434.db2.gz DIGWHTRHUPWKGF-SNVBAGLBSA-N 0 1 205.305 2.063 20 0 BEADMN CO[C@@H]1CCC[N@@H+](CCc2cccc(C)n2)C1 ZINC000569923673 323044653 /nfs/dbraw/zinc/04/46/53/323044653.db2.gz MRTXTRGCIZLTII-CQSZACIVSA-N 0 1 234.343 2.043 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccsc1 ZINC000570287003 323054699 /nfs/dbraw/zinc/05/46/99/323054699.db2.gz RWLBTIPTJWOFQE-JTQLQIEISA-N 0 1 227.329 2.462 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C)CC=CCC1 ZINC000570460351 323060509 /nfs/dbraw/zinc/06/05/09/323060509.db2.gz SEHBLGVHILZSQL-FZMZJTMJSA-N 0 1 247.342 2.203 20 0 BEADMN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000570693281 323067417 /nfs/dbraw/zinc/06/74/17/323067417.db2.gz BKRNPYGVRXIFSU-AXFHLTTASA-N 0 1 237.347 2.139 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000160609962 323073635 /nfs/dbraw/zinc/07/36/35/323073635.db2.gz HNZSVIMJBUOBET-MNOVXSKESA-N 0 1 243.347 2.129 20 0 BEADMN CSCCn1c(C)nc2c1CCCC2 ZINC000158783367 323073710 /nfs/dbraw/zinc/07/37/10/323073710.db2.gz XXHKWNXGQXKOIF-UHFFFAOYSA-N 0 1 210.346 2.433 20 0 BEADMN CC(C)c1csc(CN[C@@H](C)[C@@H](C)O)n1 ZINC000562995317 323078700 /nfs/dbraw/zinc/07/87/00/323078700.db2.gz CDFXZEFZISSPPK-DTWKUNHWSA-N 0 1 228.361 2.125 20 0 BEADMN Cc1cnc(CNCCc2ccco2)s1 ZINC000394718342 323092090 /nfs/dbraw/zinc/09/20/90/323092090.db2.gz ICUZAPUENWRASC-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN CO[C@H]1C[C@H](NCc2ncc(C)s2)C1(C)C ZINC000394720618 323093217 /nfs/dbraw/zinc/09/32/17/323093217.db2.gz JRRZODAMXAWSKU-UWVGGRQHSA-N 0 1 240.372 2.355 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563126016 323094243 /nfs/dbraw/zinc/09/42/43/323094243.db2.gz RQINHHZYSPYPBZ-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1cccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000187420695 323103604 /nfs/dbraw/zinc/10/36/04/323103604.db2.gz JQYQFFLJDUQOFN-TZMCWYRMSA-N 0 1 246.354 2.081 20 0 BEADMN C[C@H](O)[C@H](NCc1cc[nH]c1)c1ccccc1F ZINC000563256535 323106944 /nfs/dbraw/zinc/10/69/44/323106944.db2.gz RZJGBUBIGUGJEL-HZMBPMFUSA-N 0 1 248.301 2.366 20 0 BEADMN C[C@@H](O)[C@H](NCc1cc[nH]c1)c1ccccc1F ZINC000563256542 323106959 /nfs/dbraw/zinc/10/69/59/323106959.db2.gz RZJGBUBIGUGJEL-YGRLFVJLSA-N 0 1 248.301 2.366 20 0 BEADMN CC(C)(C)OCCCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000563279207 323107851 /nfs/dbraw/zinc/10/78/51/323107851.db2.gz PWNNSHILGWWUGA-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccnc(NC[C@@H](CO)Cc2ccco2)c1 ZINC000531588624 323109797 /nfs/dbraw/zinc/10/97/97/323109797.db2.gz OHLRURUTVYSRRV-LBPRGKRZSA-N 0 1 246.310 2.246 20 0 BEADMN C[N@@H+](CCCF)Cc1ccc2c(c1)OCCO2 ZINC000531732029 323112644 /nfs/dbraw/zinc/11/26/44/323112644.db2.gz PAYRYOCKCJIUJO-UHFFFAOYSA-N 0 1 239.290 2.249 20 0 BEADMN CCOc1nnc(CN[C@H](C)C(C)(C)C)s1 ZINC000309963339 323122546 /nfs/dbraw/zinc/12/25/46/323122546.db2.gz MHVOLASBMCMLBL-MRVPVSSYSA-N 0 1 243.376 2.461 20 0 BEADMN CCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245724623 323122716 /nfs/dbraw/zinc/12/27/16/323122716.db2.gz RUCCTHGRIMMJIC-JTQLQIEISA-N 0 1 238.297 2.355 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000563454288 323127186 /nfs/dbraw/zinc/12/71/86/323127186.db2.gz DLFLJPIXGNBSJJ-JQWIXIFHSA-N 0 1 249.310 2.133 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCF ZINC000310401499 323130899 /nfs/dbraw/zinc/13/08/99/323130899.db2.gz JDOXKEXFHKQKBB-SRVKXCTJSA-N 0 1 243.322 2.454 20 0 BEADMN O=C([O-])C[N@@H+](CCCCF)Cc1ccccc1 ZINC000571172057 323137539 /nfs/dbraw/zinc/13/75/39/323137539.db2.gz KCGJIDRUPOTIJN-UHFFFAOYSA-N 0 1 239.290 2.323 20 0 BEADMN CCCN(C(=O)NCc1cn[nH]c1C)C(C)C ZINC000571175617 323137631 /nfs/dbraw/zinc/13/76/31/323137631.db2.gz GXXFZKJTYZPIKG-UHFFFAOYSA-N 0 1 238.335 2.048 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)C1CCCCC1 ZINC000571355515 323142564 /nfs/dbraw/zinc/14/25/64/323142564.db2.gz AYDKBTCWTKOGBX-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN O=C([O-])CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000571613660 323149386 /nfs/dbraw/zinc/14/93/86/323149386.db2.gz MWAHBHVLUWZFHU-UHFFFAOYSA-N 0 1 245.322 2.399 20 0 BEADMN CCC1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000048596312 323154535 /nfs/dbraw/zinc/15/45/35/323154535.db2.gz JLVUTLNFAXXIKW-AWEZNQCLSA-N 0 1 246.354 2.335 20 0 BEADMN Cc1cnc(CN(CC2CC2)C(C)C)nc1 ZINC000534842831 323161240 /nfs/dbraw/zinc/16/12/40/323161240.db2.gz JOQMRSBUOUPOGW-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN C[C@@H]1C(=O)NCCN1C[C@@H]1CCCC(C)(C)C1 ZINC000535083705 323165821 /nfs/dbraw/zinc/16/58/21/323165821.db2.gz WTHTVBRRDSWNPQ-VXGBXAGGSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cnc(CN2CC[C@@H](CC)C2)o1 ZINC000532038800 323168891 /nfs/dbraw/zinc/16/88/91/323168891.db2.gz FLKDPMQETMEHGX-SNVBAGLBSA-N 0 1 208.305 2.469 20 0 BEADMN CCOC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000070158364 323169668 /nfs/dbraw/zinc/16/96/68/323169668.db2.gz AMDGQGLUZHNMCR-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCc1noc(C)c1CN(C)CC(C)(C)OC ZINC000532086174 323172484 /nfs/dbraw/zinc/17/24/84/323172484.db2.gz IBBXQPXAJKCXHM-UHFFFAOYSA-N 0 1 240.347 2.402 20 0 BEADMN CC(C)[C@@H]1CCN1Cc1ccc(F)cn1 ZINC000529534340 323182898 /nfs/dbraw/zinc/18/28/98/323182898.db2.gz AACSCNZHCXRCAW-LBPRGKRZSA-N 0 1 208.280 2.451 20 0 BEADMN CC(C)(O)CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000547316928 323186311 /nfs/dbraw/zinc/18/63/11/323186311.db2.gz DCJOTUBXFFJFGI-ZDUSSCGKSA-N 0 1 234.343 2.380 20 0 BEADMN CCC(CC)CN(CC)Cc1nnc(C)n1C ZINC000052441301 323193166 /nfs/dbraw/zinc/19/31/66/323193166.db2.gz NAVCNHRXURYGES-UHFFFAOYSA-N 0 1 238.379 2.382 20 0 BEADMN Cc1n[nH]c(C(=O)NCC23CCC(CC2)C3)c1C ZINC000536060803 323195632 /nfs/dbraw/zinc/19/56/32/323195632.db2.gz UGHLFIRIGUSBFF-UHFFFAOYSA-N 0 1 247.342 2.337 20 0 BEADMN Cc1nc(CN2C[C@H](O)CC[C@H]2C)sc1C ZINC000399244906 323201509 /nfs/dbraw/zinc/20/15/09/323201509.db2.gz NGFHETBMUMBLGN-LDYMZIIASA-N 0 1 240.372 2.105 20 0 BEADMN COCCC[C@@H](C)N[C@H](C)C(C)(F)F ZINC000395392158 323225693 /nfs/dbraw/zinc/22/56/93/323225693.db2.gz ALDCUBKCOJJYBZ-RKDXNWHRSA-N 0 1 209.280 2.435 20 0 BEADMN O=C([O-])[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000309134994 323319246 /nfs/dbraw/zinc/31/92/46/323319246.db2.gz CURHMBHPNODAEA-NWDGAFQWSA-N 0 1 223.316 2.282 20 0 BEADMN CC(F)(F)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000563920727 323322469 /nfs/dbraw/zinc/32/24/69/323322469.db2.gz OXDWTMXYECYETE-UHFFFAOYSA-N 0 1 249.644 2.431 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1ccc(Cl)o1 ZINC000530359358 323382076 /nfs/dbraw/zinc/38/20/76/323382076.db2.gz YEMWNIWAYDTTLX-NSHDSACASA-N 0 1 229.707 2.280 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccccc1F ZINC000527782964 323689937 /nfs/dbraw/zinc/68/99/37/323689937.db2.gz CEOJFGZPQPZCPH-OLZOCXBDSA-N 0 1 223.291 2.483 20 0 BEADMN CCO[C@@]1(C)C[C@H]1NCc1ccc(COC)o1 ZINC000527783499 323691011 /nfs/dbraw/zinc/69/10/11/323691011.db2.gz XHSRIFQKLQAGDM-OLZOCXBDSA-N 0 1 239.315 2.083 20 0 BEADMN CCOC1CC(N[C@@H](C)c2ncccc2F)C1 ZINC000528035846 323743478 /nfs/dbraw/zinc/74/34/78/323743478.db2.gz LPWKWSXQNDMYDK-WHXUTIOJSA-N 0 1 238.306 2.439 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccoc1 ZINC000122463814 324046512 /nfs/dbraw/zinc/04/65/12/324046512.db2.gz DHUWCCSTFCKRTM-SNVBAGLBSA-N 0 1 204.273 2.469 20 0 BEADMN Cc1cccc(NC(=O)c2ccc(F)cc2O)n1 ZINC000123217077 324101565 /nfs/dbraw/zinc/10/15/65/324101565.db2.gz OHNSYMOQBVZUNE-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)c1ccc(CN2CCC[C@H]2C(N)=O)cc1 ZINC000061759217 324104372 /nfs/dbraw/zinc/10/43/72/324104372.db2.gz VAUFQUFDAQDARR-AWEZNQCLSA-N 0 1 246.354 2.260 20 0 BEADMN CC(=O)c1cc(CN2CCC[C@@H]2C2CC2)on1 ZINC000653543359 487962481 /nfs/dbraw/zinc/96/24/81/487962481.db2.gz LEHRNSUVUGIQFN-CYBMUJFWSA-N 0 1 234.299 2.252 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000572522974 324189105 /nfs/dbraw/zinc/18/91/05/324189105.db2.gz QUIYTDBSEYIQNV-ZYHUDNBSSA-N 0 1 227.348 2.465 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225332058 324198030 /nfs/dbraw/zinc/19/80/30/324198030.db2.gz WFWBVGYLIBIFKG-HTQZYQBOSA-N 0 1 246.763 2.454 20 0 BEADMN CCCONC(=O)[C@H]1Cc2c1cccc2Cl ZINC000529509777 324318902 /nfs/dbraw/zinc/31/89/02/324318902.db2.gz JYOITWFUBSYNHD-JTQLQIEISA-N 0 1 239.702 2.438 20 0 BEADMN C[C@@H](CC(=O)N(C)Cc1cnc[nH]1)c1ccco1 ZINC000529523040 324323126 /nfs/dbraw/zinc/32/31/26/324323126.db2.gz WLDPQPVLIVVRFL-JTQLQIEISA-N 0 1 247.298 2.155 20 0 BEADMN Cc1nc(CNCC2=CCCOC2)sc1C ZINC000124794487 324625338 /nfs/dbraw/zinc/62/53/38/324625338.db2.gz NYWPEABGKVSSDO-UHFFFAOYSA-N 0 1 238.356 2.196 20 0 BEADMN COCC(C)(C)NCc1ccncc1Cl ZINC000128349769 324828186 /nfs/dbraw/zinc/82/81/86/324828186.db2.gz SKIRAMOBKDXYSF-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccnn2C)C1 ZINC000130379032 325046678 /nfs/dbraw/zinc/04/66/78/325046678.db2.gz CCBNXPLTZXGRPH-VXGBXAGGSA-N 0 1 221.348 2.288 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCc2ccccc2CC1 ZINC000071202971 325061463 /nfs/dbraw/zinc/06/14/63/325061463.db2.gz HNBBYTWWYLJAEC-GFCCVEGCSA-N 0 1 247.338 2.039 20 0 BEADMN c1coc(-c2noc(CNC3(C4CC4)CC3)n2)c1 ZINC000543454664 325089708 /nfs/dbraw/zinc/08/97/08/325089708.db2.gz HEBBYMMBCITVSX-UHFFFAOYSA-N 0 1 245.282 2.362 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)N1CC(N(C)C)C1 ZINC000543582245 325095285 /nfs/dbraw/zinc/09/52/85/325095285.db2.gz SMMVHJPCZLUIJC-LLVKDONJSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H]1CCCN(C(=O)CN(CC)C2CC2)C1 ZINC000130999897 325106645 /nfs/dbraw/zinc/10/66/45/325106645.db2.gz BTSNTXUBTKSTKS-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1ccc(CNC[C@H]2CCC[N@@H+]2C)o1 ZINC000131211084 325126028 /nfs/dbraw/zinc/12/60/28/325126028.db2.gz CUEMXDNHLUYIPG-LLVKDONJSA-N 0 1 222.332 2.026 20 0 BEADMN CCc1cccnc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000544008378 325126880 /nfs/dbraw/zinc/12/68/80/325126880.db2.gz QTGXVWPNKYSUFT-MBNYWOFBSA-N 0 1 246.354 2.232 20 0 BEADMN CCC[C@@H]1CN(CCOC(C)(C)C)CCO1 ZINC000131425669 325149311 /nfs/dbraw/zinc/14/93/11/325149311.db2.gz KYQBTLIROVNZMH-GFCCVEGCSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)NCCCc1cn[nH]c1C ZINC000132700197 325239556 /nfs/dbraw/zinc/23/95/56/325239556.db2.gz UFWVIVINRJGEQR-TZMCWYRMSA-N 0 1 249.358 2.203 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1cn(C(C)C)nc1C ZINC000546656572 325299365 /nfs/dbraw/zinc/29/93/65/325299365.db2.gz BCGLYQOFBDXRJR-STQMWFEESA-N 0 1 237.347 2.039 20 0 BEADMN CCc1cccc(NC(=O)Cc2cc(C)[nH]n2)c1 ZINC000133707274 325311461 /nfs/dbraw/zinc/31/14/61/325311461.db2.gz JXRJDMMSFVFZCD-UHFFFAOYSA-N 0 1 243.310 2.462 20 0 BEADMN C[C@]1(CO)CCCN1Cc1cccc(F)c1F ZINC000546811251 325312673 /nfs/dbraw/zinc/31/26/73/325312673.db2.gz YCLIBMSVHHXFJT-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N1CCC(C)(C)C1 ZINC000076014462 325326299 /nfs/dbraw/zinc/32/62/99/325326299.db2.gz LLLSLUKQALQBQF-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN O=C(N[C@H]1C=CCCC1)c1n[nH]c2ccccc21 ZINC000134653490 325370071 /nfs/dbraw/zinc/37/00/71/325370071.db2.gz REYYHDSEWWDYEJ-JTQLQIEISA-N 0 1 241.294 2.401 20 0 BEADMN C[C@@H](N[C@H](C)c1ccoc1)C(=O)NC(C)(C)C ZINC000135093243 325392756 /nfs/dbraw/zinc/39/27/56/325392756.db2.gz JQCRZGDAVJJHJT-NXEZZACHSA-N 0 1 238.331 2.233 20 0 BEADMN C[C@@H](C(=O)NCc1ccccc1)N1[C@H](C)C[C@@H]1C ZINC000547770599 325395717 /nfs/dbraw/zinc/39/57/17/325395717.db2.gz VLFKKJNOMSLQQI-XQQFMLRXSA-N 0 1 246.354 2.174 20 0 BEADMN CC(C)CCNC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000548097984 325429947 /nfs/dbraw/zinc/42/99/47/325429947.db2.gz YAWPQGUIMXMQIU-SRVKXCTJSA-N 0 1 226.364 2.020 20 0 BEADMN C[C@H](NC(=O)CN1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000548424455 325455700 /nfs/dbraw/zinc/45/57/00/325455700.db2.gz KOSMONAAMNZRAI-UPJWGTAASA-N 0 1 246.354 2.347 20 0 BEADMN C[C@H](Cc1cnccn1)N[C@H](C)c1cscn1 ZINC000551999932 325582273 /nfs/dbraw/zinc/58/22/73/325582273.db2.gz OUOZSHSUJOQJLH-NXEZZACHSA-N 0 1 248.355 2.215 20 0 BEADMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1nccs1 ZINC000251251510 325675381 /nfs/dbraw/zinc/67/53/81/325675381.db2.gz JBIMOBORNKPCHW-OPRDCNLKSA-N 0 1 226.345 2.361 20 0 BEADMN CCC[C@H](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000252656412 325689619 /nfs/dbraw/zinc/68/96/19/325689619.db2.gz GHLQJALYJIUNPF-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)c1cc(N[C@@H]2CC[C@H]2C)nc(N(C)C)n1 ZINC000553707784 325698069 /nfs/dbraw/zinc/69/80/69/325698069.db2.gz HACLOVNRCSJFSH-GHMZBOCLSA-N 0 1 248.374 2.298 20 0 BEADMN CC(C)(C)n1cc(CNC2(C3CC3)CC2)nn1 ZINC000564791949 325809368 /nfs/dbraw/zinc/80/93/68/325809368.db2.gz RTYHOQKDDLMCHS-UHFFFAOYSA-N 0 1 234.347 2.065 20 0 BEADMN COc1cc(F)c(CN2CCCC2)cc1OC ZINC000565080639 325855379 /nfs/dbraw/zinc/85/53/79/325855379.db2.gz BHXZNJQMEHRNLM-UHFFFAOYSA-N 0 1 239.290 2.439 20 0 BEADMN CC[C@H]1CN(CCc2ccncc2C)CCO1 ZINC000566168091 326006235 /nfs/dbraw/zinc/00/62/35/326006235.db2.gz ZGMCGDIHDAHXJI-AWEZNQCLSA-N 0 1 234.343 2.043 20 0 BEADMN O=C([O-])C1(C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000566357570 326036326 /nfs/dbraw/zinc/03/63/26/326036326.db2.gz CEVAKMQGDIQFGT-ZDUSSCGKSA-N 0 1 245.322 2.341 20 0 BEADMN CC(C)[N@@H+](CC1(C(=O)[O-])CC1)C1CCC1 ZINC000566361999 326037415 /nfs/dbraw/zinc/03/74/15/326037415.db2.gz MXJUOIMGRKYXHJ-UHFFFAOYSA-N 0 1 211.305 2.114 20 0 BEADMN COC1([C@@H](C)NCc2ncccn2)CCCCC1 ZINC000566500405 326059713 /nfs/dbraw/zinc/05/97/13/326059713.db2.gz ICSQUBZHSHGHPW-GFCCVEGCSA-N 0 1 249.358 2.304 20 0 BEADMN C[C@@H](c1cccnc1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000566625625 326069549 /nfs/dbraw/zinc/06/95/49/326069549.db2.gz CYYGQHKEGNLZAA-SUNKGSAMSA-N 0 1 248.326 2.185 20 0 BEADMN CC(C)C(CN1CCn2nncc2C1)C(C)C ZINC000566807199 326085515 /nfs/dbraw/zinc/08/55/15/326085515.db2.gz HUKOQVCXICFRGN-UHFFFAOYSA-N 0 1 236.363 2.022 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC[C@H](C)C1 ZINC000566920680 326094559 /nfs/dbraw/zinc/09/45/59/326094559.db2.gz QDGDKNZVBMZZRF-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1ccccc1[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)C1 ZINC000566979316 326099675 /nfs/dbraw/zinc/09/96/75/326099675.db2.gz SNIIJQMWDFBBQG-ZWNOBZJWSA-N 0 1 233.311 2.463 20 0 BEADMN C[N@H+](Cc1csc(C(=O)[O-])c1)CC1CC1 ZINC000567055258 326107342 /nfs/dbraw/zinc/10/73/42/326107342.db2.gz UOUGBLXWMUOHDL-UHFFFAOYSA-N 0 1 225.313 2.288 20 0 BEADMN CC(C)[C@H]1CCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000567059673 326108939 /nfs/dbraw/zinc/10/89/39/326108939.db2.gz DKQGJBYKBVECKR-DGCLKSJQSA-N 0 1 249.358 2.235 20 0 BEADMN CC[C@H]1CN(CCCF)CCN1CC(F)F ZINC000153743804 326111405 /nfs/dbraw/zinc/11/14/05/326111405.db2.gz NNIJCGXXFMDONR-JTQLQIEISA-N 0 1 238.297 2.007 20 0 BEADMN CO[C@@H](Cn1c(C)nc2c1CCCC2)C1CC1 ZINC000400135119 487971611 /nfs/dbraw/zinc/97/16/11/487971611.db2.gz HWJDXOQHSHPRHC-AWEZNQCLSA-N 0 1 234.343 2.495 20 0 BEADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153983561 326123488 /nfs/dbraw/zinc/12/34/88/326123488.db2.gz GUAAVOGGWLEAID-RNCFNFMXSA-N 0 1 244.298 2.333 20 0 BEADMN C[C@H]1CCCN1CC(=O)Nc1ccc(F)cc1 ZINC000154448746 326144818 /nfs/dbraw/zinc/14/48/18/326144818.db2.gz BWQXPHHEODKDTE-JTQLQIEISA-N 0 1 236.290 2.249 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)C1CCCCC1 ZINC000155286744 326191427 /nfs/dbraw/zinc/19/14/27/326191427.db2.gz SLWRVRMHPIBDEG-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCC(CC)CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155406338 326195406 /nfs/dbraw/zinc/19/54/06/326195406.db2.gz HCAAEYDRNJBVFH-TXEJJXNPSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC12CC2 ZINC000567464938 326197900 /nfs/dbraw/zinc/19/79/00/326197900.db2.gz CBGKLGPPNIENRW-SECBINFHSA-N 0 1 233.315 2.124 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCC(C)(C)C ZINC000155526748 326199030 /nfs/dbraw/zinc/19/90/30/326199030.db2.gz IBCZDLLPDAQRHT-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN COc1ccnc(CN[C@@H]2CC=C(C)CC2)n1 ZINC000567494981 326204316 /nfs/dbraw/zinc/20/43/16/326204316.db2.gz URYDAFGJMNJNML-LLVKDONJSA-N 0 1 233.315 2.074 20 0 BEADMN CS[C@H]1CC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000567722376 326250939 /nfs/dbraw/zinc/25/09/39/326250939.db2.gz CWZSRNXUYLNGND-KOLCDFICSA-N 0 1 234.328 2.264 20 0 BEADMN CS[C@H]1CC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000567722376 326250941 /nfs/dbraw/zinc/25/09/41/326250941.db2.gz CWZSRNXUYLNGND-KOLCDFICSA-N 0 1 234.328 2.264 20 0 BEADMN CC(C)[C@H]1CCCN1Cc1nc(C2CC2)nn1C ZINC000567760175 326255907 /nfs/dbraw/zinc/25/59/07/326255907.db2.gz NGGHBYPXORPODN-GFCCVEGCSA-N 0 1 248.374 2.313 20 0 BEADMN CC[C@H](O)[C@H](CC)N[C@@H](C)c1cscn1 ZINC000313155785 326258361 /nfs/dbraw/zinc/25/83/61/326258361.db2.gz NNKBSTPHNDHTFB-QXEWZRGKSA-N 0 1 228.361 2.343 20 0 BEADMN CN(CCCSc1cn[nH]n1)c1ccccc1 ZINC000567897664 326278891 /nfs/dbraw/zinc/27/88/91/326278891.db2.gz LLLSEXUCGDCRPC-UHFFFAOYSA-N 0 1 248.355 2.423 20 0 BEADMN CCOCCO[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC000157654512 326288691 /nfs/dbraw/zinc/28/86/91/326288691.db2.gz NNJKUEDBFUGJEZ-ZDUSSCGKSA-N 0 1 227.348 2.080 20 0 BEADMN CC(C)CSCCC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000568062679 326302466 /nfs/dbraw/zinc/30/24/66/326302466.db2.gz LPVJZXQNPMWVKL-NSHDSACASA-N 0 1 245.388 2.172 20 0 BEADMN CCc1cccc(C[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000568061588 326302649 /nfs/dbraw/zinc/30/26/49/326302649.db2.gz KYTQNSXBSMFGQT-UHFFFAOYSA-N 0 1 233.311 2.298 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCS[C@H](C(C)C)C1 ZINC000568067500 326303633 /nfs/dbraw/zinc/30/36/33/326303633.db2.gz WXRCPLHNCQBSIG-MNOVXSKESA-N 0 1 245.388 2.313 20 0 BEADMN CCCC[C@H](CC)CN1CCn2nncc2C1 ZINC000568182015 326322195 /nfs/dbraw/zinc/32/21/95/326322195.db2.gz GUXWPOKNNRCKGH-LBPRGKRZSA-N 0 1 236.363 2.310 20 0 BEADMN CCOC[C@H](NCc1nc(C)c(C)[nH]1)C(C)C ZINC000568269245 326338080 /nfs/dbraw/zinc/33/80/80/326338080.db2.gz DHBSUEDKSGQLCO-LBPRGKRZSA-N 0 1 239.363 2.177 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000568287603 326341692 /nfs/dbraw/zinc/34/16/92/326341692.db2.gz DOWUUZBUEYSNOV-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN Cc1cnccc1CNC1(CF)CCC1 ZINC000568629483 326368840 /nfs/dbraw/zinc/36/88/40/326368840.db2.gz GKKQSBXECLWSLH-UHFFFAOYSA-N 0 1 208.280 2.372 20 0 BEADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000568880910 326381023 /nfs/dbraw/zinc/38/10/23/326381023.db2.gz LTWWKLSTXSFGIY-GRYCIOLGSA-N 0 1 249.358 2.235 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000568991432 326385223 /nfs/dbraw/zinc/38/52/23/326385223.db2.gz UFOQXDSYGZDGBS-QWHCGFSZSA-N 0 1 248.326 2.124 20 0 BEADMN CC[C@@H]1C[N@H+]([C@H](CC(C)C)C(=O)[O-])CCS1 ZINC000569251023 326397846 /nfs/dbraw/zinc/39/78/46/326397846.db2.gz GLDNUSOXMNAHEA-GHMZBOCLSA-N 0 1 245.388 2.313 20 0 BEADMN c1ccc2c(c1)C[N@@H+](CC[C@H]1CCCO1)CCO2 ZINC000682519679 487975380 /nfs/dbraw/zinc/97/53/80/487975380.db2.gz YLGHZJFNQNNZMC-CQSZACIVSA-N 0 1 247.338 2.450 20 0 BEADMN CCN1CCN(c2nc(C)c(C)s2)C[C@@H]1C ZINC000677153227 487984540 /nfs/dbraw/zinc/98/45/40/487984540.db2.gz NNQXOUVVKOPLDW-VIFPVBQESA-N 0 1 239.388 2.290 20 0 BEADMN CCN1CCN(C(=O)CCC(C)(C)C)C[C@@H]1C ZINC000677177500 487988288 /nfs/dbraw/zinc/98/82/88/487988288.db2.gz OMBQXARPHAJUDX-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN CCN1CCN(C(=O)CCC2CCC2)C[C@@H]1C ZINC000677174716 487989096 /nfs/dbraw/zinc/98/90/96/487989096.db2.gz WIUYFEMSJYQDPK-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1CCC2(CC2)CC1 ZINC000666033037 487990375 /nfs/dbraw/zinc/99/03/75/487990375.db2.gz FFUNHBUHMKEWMT-UHFFFAOYSA-N 0 1 247.342 2.305 20 0 BEADMN CCCCCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000677176135 487991510 /nfs/dbraw/zinc/99/15/10/487991510.db2.gz LMKLCXXDGPDEIH-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN CCN1CC[N@@H+]([C@@H](C)c2ccncc2)C[C@H]1C ZINC000677193232 487994925 /nfs/dbraw/zinc/99/49/25/487994925.db2.gz XGEXIHPGFCZGJW-OLZOCXBDSA-N 0 1 233.359 2.169 20 0 BEADMN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1cn(C)nn1 ZINC000668604055 487997434 /nfs/dbraw/zinc/99/74/34/487997434.db2.gz NYUIRVCTZTUXJQ-JSGCOSHPSA-N 0 1 248.374 2.239 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000235662527 488000529 /nfs/dbraw/zinc/00/05/29/488000529.db2.gz ZMOVRMRBUMDRQJ-VIFPVBQESA-N 0 1 237.274 2.366 20 0 BEADMN C[C@@H]1C[N@@H+](CC2=CCCC2)CC[C@@H]1C(=O)[O-] ZINC000401109907 488008608 /nfs/dbraw/zinc/00/86/08/488008608.db2.gz JARILSRQSSQBSW-PWSUYJOCSA-N 0 1 223.316 2.139 20 0 BEADMN CC(C)CCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000165520400 488015434 /nfs/dbraw/zinc/01/54/34/488015434.db2.gz NDTBUEKAWXBIKQ-LLVKDONJSA-N 0 1 245.388 2.315 20 0 BEADMN C[N@@H+](Cc1cn(C2CCC2)nn1)C1CCCC1 ZINC000667491880 488025347 /nfs/dbraw/zinc/02/53/47/488025347.db2.gz LDCAMNCVJATMOE-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN CN(Cc1cn(C2CCC2)nn1)C1CCCC1 ZINC000667491880 488025349 /nfs/dbraw/zinc/02/53/49/488025349.db2.gz LDCAMNCVJATMOE-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN CCCN(C)Cc1ccnn1CC1CC1 ZINC000667496100 488028559 /nfs/dbraw/zinc/02/85/59/488028559.db2.gz IFASHMGTLLPREF-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CCCN(C)Cc1c(C(F)(F)F)cnn1C ZINC000667496320 488028758 /nfs/dbraw/zinc/02/87/58/488028758.db2.gz QEACFUGOUDVPBT-UHFFFAOYSA-N 0 1 235.253 2.281 20 0 BEADMN Cc1nc([C@@H](C)NCCOCCF)c(C)s1 ZINC000663461758 488030465 /nfs/dbraw/zinc/03/04/65/488030465.db2.gz HQDXJDPZRUAREC-MRVPVSSYSA-N 0 1 246.351 2.397 20 0 BEADMN CN(Cc1c(C(F)(F)F)cnn1C)CC1CC1 ZINC000667534184 488039859 /nfs/dbraw/zinc/03/98/59/488039859.db2.gz PRLOLWHKLMGKHL-UHFFFAOYSA-N 0 1 247.264 2.281 20 0 BEADMN Cc1cnc(CN[C@H](C)Cc2ccncc2)o1 ZINC000682780688 488040800 /nfs/dbraw/zinc/04/08/00/488040800.db2.gz KWIVGWSNITUMCM-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN Cc1ccncc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000135553526 488041298 /nfs/dbraw/zinc/04/12/98/488041298.db2.gz NZFMUSNEZCPZMH-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1conc1NCc1[nH]nc2ccccc21 ZINC000682853255 488054009 /nfs/dbraw/zinc/05/40/09/488054009.db2.gz SJBCUCACEUZXGW-UHFFFAOYSA-N 0 1 228.255 2.471 20 0 BEADMN C[C@@H](CCn1cccn1)N[C@@H]1CCCC1(F)F ZINC000672621605 488066541 /nfs/dbraw/zinc/06/65/41/488066541.db2.gz BEPLZZSGULYCNS-WDEREUQCSA-N 0 1 243.301 2.439 20 0 BEADMN CCCn1nccc1CN(C)C1CCC1 ZINC000667646867 488070317 /nfs/dbraw/zinc/07/03/17/488070317.db2.gz FJQQDPZAGAAFIN-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN CCn1ncnc1CNCCCC1CCCC1 ZINC000225235232 488076651 /nfs/dbraw/zinc/07/66/51/488076651.db2.gz YVWJWJVYFVRKFG-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CN(CCOCc1ccccc1)Cc1cn[nH]c1 ZINC000678336279 488082793 /nfs/dbraw/zinc/08/27/93/488082793.db2.gz DAVJZAZHRRQCSS-UHFFFAOYSA-N 0 1 245.326 2.058 20 0 BEADMN Cc1ccc2c(c1)CCN(Cc1cn[nH]c1)C2 ZINC000683000408 488083108 /nfs/dbraw/zinc/08/31/08/488083108.db2.gz YQFBGFIOJPZECW-UHFFFAOYSA-N 0 1 227.311 2.276 20 0 BEADMN CCCN1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000389225124 488083146 /nfs/dbraw/zinc/08/31/46/488083146.db2.gz GUIGYHUEAHDFHS-SECBINFHSA-N 0 1 240.738 2.026 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2CC=CCC2)[nH]1 ZINC000670089188 488084914 /nfs/dbraw/zinc/08/49/14/488084914.db2.gz LHTKVEDMOYKADI-UHFFFAOYSA-N 0 1 241.294 2.273 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C3CCC3)nn2)[C@H]1C ZINC000667693249 488089053 /nfs/dbraw/zinc/08/90/53/488089053.db2.gz FZMNPPFXOXIWKY-MNOVXSKESA-N 0 1 234.347 2.233 20 0 BEADMN Cc1ccc2cc(CN3CCN(C)CC3)[nH]c2c1 ZINC000257894119 488091100 /nfs/dbraw/zinc/09/11/00/488091100.db2.gz MYBJGRRTNRGVCE-UHFFFAOYSA-N 0 1 243.354 2.224 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667698042 488091493 /nfs/dbraw/zinc/09/14/93/488091493.db2.gz VWUBOFMURPPJRW-LLVKDONJSA-N 0 1 219.332 2.061 20 0 BEADMN C[C@@H]1CC[C@H](C)N1Cc1cn(C2CCC2)nn1 ZINC000667698841 488092263 /nfs/dbraw/zinc/09/22/63/488092263.db2.gz OMRZCVZWYDPVQW-PHIMTYICSA-N 0 1 234.347 2.376 20 0 BEADMN CCOC[C@@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683012310 488092301 /nfs/dbraw/zinc/09/23/01/488092301.db2.gz SRAMGZNXTKDWJP-CYBMUJFWSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1cccc2[nH]c(CN3CCN(C)CC3)cc21 ZINC000257941724 488092706 /nfs/dbraw/zinc/09/27/06/488092706.db2.gz VQDCFYSMUKYLPA-UHFFFAOYSA-N 0 1 243.354 2.224 20 0 BEADMN c1ncn2c1CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000660584961 488093842 /nfs/dbraw/zinc/09/38/42/488093842.db2.gz WEUPDBGMRJAPLT-UPJWGTAASA-N 0 1 231.343 2.135 20 0 BEADMN Cn1cc(CN2CC(Cc3ccccc3)C2)cn1 ZINC000677717219 488098709 /nfs/dbraw/zinc/09/87/09/488098709.db2.gz NKIZUKNOJGOPBD-UHFFFAOYSA-N 0 1 241.338 2.095 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C/C=C/c1ccccc1 ZINC000092925711 488103343 /nfs/dbraw/zinc/10/33/43/488103343.db2.gz MLIZLQFAJTXOOH-MZMNXDGSSA-N 0 1 245.322 2.495 20 0 BEADMN FC1(F)CC2(CN(C[C@@H]3CCCCO3)C2)C1 ZINC000677732314 488109707 /nfs/dbraw/zinc/10/97/07/488109707.db2.gz IAFSDOGLIWLVPQ-JTQLQIEISA-N 0 1 231.286 2.287 20 0 BEADMN C[C@H]1COC(C)(C)CN1Cc1ccc(O)cc1 ZINC000683110043 488111212 /nfs/dbraw/zinc/11/12/12/488111212.db2.gz WZXCEVMGQJQSNV-NSHDSACASA-N 0 1 235.327 2.392 20 0 BEADMN C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000166842948 488111310 /nfs/dbraw/zinc/11/13/10/488111310.db2.gz VKLUSMYWDAMQJG-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN FC1(CN2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000668684349 488113857 /nfs/dbraw/zinc/11/38/57/488113857.db2.gz HDTKWKLIYZZAHP-UHFFFAOYSA-N 0 1 239.334 2.380 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403167126 488115459 /nfs/dbraw/zinc/11/54/59/488115459.db2.gz BSOUUPXYVKMFQG-LPWJVIDDSA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])C[N@@H+](CC1CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403174563 488116552 /nfs/dbraw/zinc/11/65/52/488116552.db2.gz DRCGCUFKBRSBOH-UPJWGTAASA-N 0 1 237.343 2.219 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403170292 488116850 /nfs/dbraw/zinc/11/68/50/488116850.db2.gz CMTXSDAUSYBKAH-NDBYEHHHSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@H](O)C1(NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000668696013 488124823 /nfs/dbraw/zinc/12/48/23/488124823.db2.gz KTIRADGWCLUXQS-SCVCMEIPSA-N 0 1 235.327 2.406 20 0 BEADMN C[C@@H](O)C1(NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000668696008 488124634 /nfs/dbraw/zinc/12/46/34/488124634.db2.gz KTIRADGWCLUXQS-CKYFFXLPSA-N 0 1 235.327 2.406 20 0 BEADMN CC[C@@H](C)N(CC)CC(=O)c1cccn1C ZINC000037336582 488132213 /nfs/dbraw/zinc/13/22/13/488132213.db2.gz DYIABSSUMRRSJF-LLVKDONJSA-N 0 1 222.332 2.328 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403370941 487539028 /nfs/dbraw/zinc/53/90/28/487539028.db2.gz ZVQHVBLMNKJBJM-KKOKHZNYSA-N 0 1 237.343 2.360 20 0 BEADMN C[C@H]1[C@@H](C)N(Cc2cn(C3CCC3)nn2)C[C@H]1C ZINC000668243331 487541502 /nfs/dbraw/zinc/54/15/02/487541502.db2.gz ZJPKLQYLAFTDRF-IJLUTSLNSA-N 0 1 248.374 2.479 20 0 BEADMN NCc1ccc(C(=O)NCCC2CCCC2)o1 ZINC000094567303 487541708 /nfs/dbraw/zinc/54/17/08/487541708.db2.gz RHHVVWQQXAAULE-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN Cc1cccc(C(C)(C)NC(=O)[C@H](C)N(C)C)c1 ZINC000674265038 487542182 /nfs/dbraw/zinc/54/21/82/487542182.db2.gz MORWRUSTEWAKAB-LBPRGKRZSA-N 0 1 248.370 2.296 20 0 BEADMN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674266333 487542664 /nfs/dbraw/zinc/54/26/64/487542664.db2.gz PSKCGMCDEPLBCK-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@H]1CCC[C@H](CN2CCc3nn[nH]c3C2)C1 ZINC000668790513 487543176 /nfs/dbraw/zinc/54/31/76/487543176.db2.gz AHHDDTYCRRCTCD-RYUDHWBXSA-N 0 1 248.374 2.379 20 0 BEADMN CC[C@@H](C)CCCCC(=O)NCCN1CCC1 ZINC000680190657 487543352 /nfs/dbraw/zinc/54/33/52/487543352.db2.gz DSTZAXBTIVOKJH-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000382546079 487545136 /nfs/dbraw/zinc/54/51/36/487545136.db2.gz ZERCUYTVKNBBOW-QMMMGPOBSA-N 0 1 237.221 2.044 20 0 BEADMN CCc1nc(S[C@H]2C[C@H](C)CCC2=O)n[nH]1 ZINC000334624158 487530026 /nfs/dbraw/zinc/53/00/26/487530026.db2.gz OOMNNSVOOOWLPA-APPZFPTMSA-N 0 1 239.344 2.217 20 0 BEADMN CCc1n[nH]c(S[C@H]2C[C@H](C)CCC2=O)n1 ZINC000334624158 487530031 /nfs/dbraw/zinc/53/00/31/487530031.db2.gz OOMNNSVOOOWLPA-APPZFPTMSA-N 0 1 239.344 2.217 20 0 BEADMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N(C)C ZINC000674287926 487548279 /nfs/dbraw/zinc/54/82/79/487548279.db2.gz SEHFZMALRZTMEI-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(C)C)CC2 ZINC000674287601 487548022 /nfs/dbraw/zinc/54/80/22/487548022.db2.gz IJBSIJRHOCLSJZ-FZMZJTMJSA-N 0 1 246.354 2.049 20 0 BEADMN C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C)N(C)C ZINC000674287438 487548712 /nfs/dbraw/zinc/54/87/12/487548712.db2.gz DDDFDHZXBGVFEK-RYUDHWBXSA-N 0 1 246.354 2.082 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674287925 487548898 /nfs/dbraw/zinc/54/88/98/487548898.db2.gz SEHFZMALRZTMEI-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN c1[nH]nc2cc(CN3CC4(CC4)C3)ccc12 ZINC000334741795 487553077 /nfs/dbraw/zinc/55/30/77/487553077.db2.gz JBZNSIKNTNTHJI-UHFFFAOYSA-N 0 1 213.284 2.159 20 0 BEADMN CC(C)[C@@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253738 487553328 /nfs/dbraw/zinc/55/33/28/487553328.db2.gz JCOVCYNBVKYSGW-SNVBAGLBSA-N 0 1 235.331 2.378 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@@H]2CC23CCC3)c1 ZINC000680254244 487553350 /nfs/dbraw/zinc/55/33/50/487553350.db2.gz QJSMWLXKXFADRF-NSHDSACASA-N 0 1 245.326 2.276 20 0 BEADMN CN(C)c1ccnc(NC(=O)CC2CCC2)c1 ZINC000680259304 487554428 /nfs/dbraw/zinc/55/44/28/487554428.db2.gz XEFZFNVOVFSHPB-UHFFFAOYSA-N 0 1 233.315 2.276 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000086789962 487556498 /nfs/dbraw/zinc/55/64/98/487556498.db2.gz IJNAQMGCUTVENL-NSHDSACASA-N 0 1 237.274 2.041 20 0 BEADMN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000061363509 487473223 /nfs/dbraw/zinc/47/32/23/487473223.db2.gz NIMBRPJISYQGPX-UWVGGRQHSA-N 0 1 240.372 2.313 20 0 BEADMN FC(F)(F)C1(c2nc([C@@H]3CCCN3)no2)CC1 ZINC000168093033 487481372 /nfs/dbraw/zinc/48/13/72/487481372.db2.gz UZPXQTDBKPLYBH-LURJTMIESA-N 0 1 247.220 2.088 20 0 BEADMN CCCn1nccc1CN1CC(CC)C1 ZINC000668229671 487492379 /nfs/dbraw/zinc/49/23/79/487492379.db2.gz PTFIPMBJYRJUQI-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN CCC1(CC)CN(Cc2cnc3n2CCC3)C1 ZINC000668230933 487496280 /nfs/dbraw/zinc/49/62/80/487496280.db2.gz FDDWYHVVPGGURX-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN OCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000674012483 487500450 /nfs/dbraw/zinc/50/04/50/487500450.db2.gz CYGIQPKEPXTABN-ZDUSSCGKSA-N 0 1 223.291 2.345 20 0 BEADMN CCC1(C)CN(Cc2cnn3c2CCC3)C1 ZINC000668233689 487506627 /nfs/dbraw/zinc/50/66/27/487506627.db2.gz IELXRTUOSXABSB-UHFFFAOYSA-N 0 1 219.332 2.061 20 0 BEADMN CC[C@H](O)CN1CC[C@H]1c1cccc(F)c1 ZINC000674047599 487503584 /nfs/dbraw/zinc/50/35/84/487503584.db2.gz NWRBPGOTLRXQRO-STQMWFEESA-N 0 1 223.291 2.343 20 0 BEADMN C[C@@H](Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000674048461 487503647 /nfs/dbraw/zinc/50/36/47/487503647.db2.gz RJJITDCSNVPUAQ-SNVBAGLBSA-N 0 1 228.299 2.478 20 0 BEADMN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccn(C)n1 ZINC000666120143 487503779 /nfs/dbraw/zinc/50/37/79/487503779.db2.gz JDVVJLAKHMDSAF-DTWKUNHWSA-N 0 1 229.274 2.259 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CCO[C@H](C)C2)s1 ZINC000381334926 487504232 /nfs/dbraw/zinc/50/42/32/487504232.db2.gz VKKXOHRXTJVSRX-KHQFGBGNSA-N 0 1 241.360 2.065 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H](CO)C1)c1cscn1 ZINC000304608986 487512548 /nfs/dbraw/zinc/51/25/48/487512548.db2.gz NJUNCXDNLFWKJQ-HBNTYKKESA-N 0 1 240.372 2.345 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)Cc1ccn[nH]1 ZINC000295904727 487515697 /nfs/dbraw/zinc/51/56/97/487515697.db2.gz XVOQCRINXKMECA-CQSZACIVSA-N 0 1 249.358 2.379 20 0 BEADMN O=C([O-])CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000680018750 487519321 /nfs/dbraw/zinc/51/93/21/487519321.db2.gz MPHOQPWJXIYLBA-ZDUSSCGKSA-N 0 1 249.310 2.394 20 0 BEADMN c1nc(CN[C@H]2CC[C@H]2C2CCC2)co1 ZINC000308819505 487522325 /nfs/dbraw/zinc/52/23/25/487522325.db2.gz BNCZUJDSORUCNU-RYUDHWBXSA-N 0 1 206.289 2.343 20 0 BEADMN COc1ccc(C(C)C)cc1CN(C)CCO ZINC000259012168 488146770 /nfs/dbraw/zinc/14/67/70/488146770.db2.gz NCPMQOXKWRLTGL-UHFFFAOYSA-N 0 1 237.343 2.243 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CC2)[C@@H](C)C1 ZINC000668710953 488152563 /nfs/dbraw/zinc/15/25/63/488152563.db2.gz NNDGCXPOWURVDU-GRYCIOLGSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1F ZINC000086751720 490089912 /nfs/dbraw/zinc/08/99/12/490089912.db2.gz KMXANAMXZKNMRC-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN CC(C)OC1CC(N[C@H](C)c2nccn2C)C1 ZINC000681142162 487735633 /nfs/dbraw/zinc/73/56/33/487735633.db2.gz XIGHWKHXRAWDQK-VOMCLLRMSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1cc(CNC(=O)c2c(C)cccc2C)n[nH]1 ZINC000675568283 487749037 /nfs/dbraw/zinc/74/90/37/487749037.db2.gz OOGBAXUAWFIJIR-UHFFFAOYSA-N 0 1 243.310 2.265 20 0 BEADMN C(c1nnc(C2CC2)o1)N1CC[C@@H]2CCC[C@@H]21 ZINC000681711638 487848626 /nfs/dbraw/zinc/84/86/26/487848626.db2.gz GALRGAPKYDLOLU-ONGXEEELSA-N 0 1 233.315 2.321 20 0 BEADMN c1n[nH]cc1CN1CC[C@@H]1c1ccccc1 ZINC000676414266 487849872 /nfs/dbraw/zinc/84/98/72/487849872.db2.gz REVPBCNZYZJVGW-CYBMUJFWSA-N 0 1 213.284 2.357 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000083417538 487907955 /nfs/dbraw/zinc/90/79/55/487907955.db2.gz ZFVOTHJWLUXSMA-GFCCVEGCSA-N 0 1 213.321 2.362 20 0 BEADMN C(=C/c1ccccc1)\CN1CCc2c[nH]nc2C1 ZINC000676795141 487930855 /nfs/dbraw/zinc/93/08/55/487930855.db2.gz YNQSLNMMFVOOAL-QPJJXVBHSA-N 0 1 239.322 2.481 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000668598827 487987370 /nfs/dbraw/zinc/98/73/70/487987370.db2.gz OGSJJQNFKABYEI-NDPMZMCLSA-N 0 1 247.338 2.360 20 0 BEADMN CCc1[nH]ncc1C(=O)Nc1ccc(C)cc1O ZINC000677502756 488053898 /nfs/dbraw/zinc/05/38/98/488053898.db2.gz QQNGEJAVYHBFRJ-UHFFFAOYSA-N 0 1 245.282 2.238 20 0 BEADMN CCOCCN(CC)Cc1cc(C)ccn1 ZINC000683008284 488088432 /nfs/dbraw/zinc/08/84/32/488088432.db2.gz UJLWVACZDRSRFS-UHFFFAOYSA-N 0 1 222.332 2.248 20 0 BEADMN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1nccs1 ZINC000667835563 488135850 /nfs/dbraw/zinc/13/58/50/488135850.db2.gz TVUZMJLOFILWNL-GDPRMGEGSA-N 0 1 238.356 2.361 20 0 BEADMN COc1cc(CN2CC[C@H](C(F)F)C2)ccn1 ZINC000677819700 488136115 /nfs/dbraw/zinc/13/61/15/488136115.db2.gz MAYSTAKCYMPCKL-JTQLQIEISA-N 0 1 242.269 2.177 20 0 BEADMN C[N@@H+](CC1CCCCC1)CC1(C(=O)[O-])CC1 ZINC000258924106 488142419 /nfs/dbraw/zinc/14/24/19/488142419.db2.gz NRPBNSWCKXONOY-UHFFFAOYSA-N 0 1 225.332 2.363 20 0 BEADMN Clc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)o1 ZINC000668704970 488143221 /nfs/dbraw/zinc/14/32/21/488143221.db2.gz GGAVIPSTZVSOHU-ZJUUUORDSA-N 0 1 241.718 2.401 20 0 BEADMN Clc1ccc(CN2CC[C@H]3COC[C@H]3C2)o1 ZINC000668704967 488143408 /nfs/dbraw/zinc/14/34/08/488143408.db2.gz GGAVIPSTZVSOHU-VHSXEESVSA-N 0 1 241.718 2.401 20 0 BEADMN CCCc1cc(C(=O)N2CC[C@H](C3CC3)C2)n[nH]1 ZINC000677877356 488144353 /nfs/dbraw/zinc/14/43/53/488144353.db2.gz WHKCDXOKAMOMDQ-NSHDSACASA-N 0 1 247.342 2.234 20 0 BEADMN CCN(CC1CC1)[C@@H](C)c1nc(C)no1 ZINC000677890535 488149263 /nfs/dbraw/zinc/14/92/63/488149263.db2.gz XDSGOOOFKYVNTE-QMMMGPOBSA-N 0 1 209.293 2.171 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC1CC(C)C1 ZINC000677905386 488153316 /nfs/dbraw/zinc/15/33/16/488153316.db2.gz YQYCVAMDFGBHQE-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN O=c1c2c([nH]n1-c1ccccc1)CCSC2 ZINC000137328463 488162950 /nfs/dbraw/zinc/16/29/50/488162950.db2.gz GPTXVOQFPCMTLE-SNVBAGLBSA-N 0 1 232.308 2.142 20 0 BEADMN C[C@H]1C[C@H]1CN1CCOc2ccc(O)cc2C1 ZINC000668725012 488166754 /nfs/dbraw/zinc/16/67/54/488166754.db2.gz XUNXARIVBNACFB-QWRGUYRKSA-N 0 1 233.311 2.243 20 0 BEADMN Fc1cccc([C@@H]2CCN2CCn2ccnc2)c1 ZINC000677984783 488169137 /nfs/dbraw/zinc/16/91/37/488169137.db2.gz PWQRLQFFJUNJLH-AWEZNQCLSA-N 0 1 245.301 2.469 20 0 BEADMN C[C@H](CO)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000678045564 488182374 /nfs/dbraw/zinc/18/23/74/488182374.db2.gz NGHHXHQDYSHBOU-KCQAQPDRSA-N 0 1 249.354 2.077 20 0 BEADMN Cc1cnc(CN[C@H]2CCCC23CC3)o1 ZINC000668028002 488189697 /nfs/dbraw/zinc/18/96/97/488189697.db2.gz VYHDEVXDGSLOJF-JTQLQIEISA-N 0 1 206.289 2.405 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000453386182 488190107 /nfs/dbraw/zinc/19/01/07/488190107.db2.gz BDOMFIBBTUBILX-IJLUTSLNSA-N 0 1 237.347 2.408 20 0 BEADMN CCCN1CC[C@H](Nc2ncncc2Cl)C1 ZINC000389225125 488193497 /nfs/dbraw/zinc/19/34/97/488193497.db2.gz GUIGYHUEAHDFHS-VIFPVBQESA-N 0 1 240.738 2.026 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]nc3ccccc32)CCO1 ZINC000678131441 488201903 /nfs/dbraw/zinc/20/19/03/488201903.db2.gz BNZZCQOGJONJSE-LLVKDONJSA-N 0 1 245.326 2.174 20 0 BEADMN CN(Cc1cc(C(C)(C)C)[nH]n1)CC(F)F ZINC000683679318 488207296 /nfs/dbraw/zinc/20/72/96/488207296.db2.gz ZGWUGZZFZGRUHQ-UHFFFAOYSA-N 0 1 231.290 2.404 20 0 BEADMN Cc1cnc(CN[C@@H]2CCOC3(CCC3)C2)o1 ZINC000231653811 488219832 /nfs/dbraw/zinc/21/98/32/488219832.db2.gz LZTBEFKYKMYSEQ-LLVKDONJSA-N 0 1 236.315 2.174 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1nccs1 ZINC000179431128 488221656 /nfs/dbraw/zinc/22/16/56/488221656.db2.gz BXYKMEAALONYQA-KYXWUPHJSA-N 0 1 224.329 2.114 20 0 BEADMN C[C@H]1CN(Cc2n[nH]c3ccccc32)CCCO1 ZINC000678239278 488223189 /nfs/dbraw/zinc/22/31/89/488223189.db2.gz XXGJYMADDBETLV-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN CCc1ncc(CN2CCCOC[C@H]2C)s1 ZINC000678272374 488225125 /nfs/dbraw/zinc/22/51/25/488225125.db2.gz FAGWDTKFIQSDQU-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN C[C@H]1COCCCN1Cc1cccc2c1OCO2 ZINC000678272652 488233568 /nfs/dbraw/zinc/23/35/68/488233568.db2.gz GCSGKZJOLYDBCF-NSHDSACASA-N 0 1 249.310 2.026 20 0 BEADMN Cc1ncsc1CN1CCCOC[C@H]1C ZINC000678272639 488233685 /nfs/dbraw/zinc/23/36/85/488233685.db2.gz FUICKDWXEVWSES-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN C[C@@H]1Cc2ccccc2CN1Cc1cn[nH]c1 ZINC000678278842 488236355 /nfs/dbraw/zinc/23/63/55/488236355.db2.gz AFXJOSPNNFYNMR-LLVKDONJSA-N 0 1 227.311 2.357 20 0 BEADMN c1n[nH]cc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000678282000 488236410 /nfs/dbraw/zinc/23/64/10/488236410.db2.gz LEKKNSUDTVIVLP-NEPJUHHUSA-N 0 1 237.372 2.270 20 0 BEADMN Cc1nc(C)c(CN(C)CCc2ccccn2)o1 ZINC000683900586 488242062 /nfs/dbraw/zinc/24/20/62/488242062.db2.gz ZUGVKZOODWIMQV-UHFFFAOYSA-N 0 1 245.326 2.361 20 0 BEADMN CC(C)(C)CCCCC(=O)NCc1c[nH]nn1 ZINC000672207143 488244712 /nfs/dbraw/zinc/24/47/12/488244712.db2.gz JMGNPPIABBQOKG-UHFFFAOYSA-N 0 1 238.335 2.027 20 0 BEADMN CCn1nccc1CN[C@H](C)c1cnccc1C ZINC000678362097 488246608 /nfs/dbraw/zinc/24/66/08/488246608.db2.gz REMSLPIQRJYPNH-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccc(F)cn2)n[nH]1 ZINC000678425714 488254156 /nfs/dbraw/zinc/25/41/56/488254156.db2.gz AHNCJGXOMDPZIB-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN CCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684019576 488255446 /nfs/dbraw/zinc/25/54/46/488255446.db2.gz WJXSWMDSGGMQGG-UHFFFAOYSA-N 0 1 243.354 2.305 20 0 BEADMN c1cc(-c2ccc(CN3CC=CCC3)o2)n[nH]1 ZINC000684023117 488256673 /nfs/dbraw/zinc/25/66/73/488256673.db2.gz PGCLPHWIPXZSQE-UHFFFAOYSA-N 0 1 229.283 2.432 20 0 BEADMN CCOc1ccc(CN2[C@H](C)C[C@@H]2C)nc1 ZINC000684208089 488276952 /nfs/dbraw/zinc/27/69/52/488276952.db2.gz HBAVPFOSJGJGCS-PHIMTYICSA-N 0 1 220.316 2.463 20 0 BEADMN CC(C)n1nccc1CN1CCCOC[C@H]1C ZINC000684360827 488300696 /nfs/dbraw/zinc/30/06/96/488300696.db2.gz JTGMLEKXNGBLLC-GFCCVEGCSA-N 0 1 237.347 2.075 20 0 BEADMN C[C@@H]1CCN(CCc2ccncc2)C[C@H]1F ZINC000679220981 488319384 /nfs/dbraw/zinc/31/93/84/488319384.db2.gz KNPHATIHDUGVED-DGCLKSJQSA-N 0 1 222.307 2.304 20 0 BEADMN CC(C)OCCN1CC[C@H](C)[C@@H](F)C1 ZINC000679222183 488319849 /nfs/dbraw/zinc/31/98/49/488319849.db2.gz NUJBCYQJDHIPGN-QWRGUYRKSA-N 0 1 203.301 2.091 20 0 BEADMN CCCCOCCN1CC[C@@H](C)[C@H](F)C1 ZINC000679221747 488320111 /nfs/dbraw/zinc/32/01/11/488320111.db2.gz LUDMFGBQFOHQKM-VXGBXAGGSA-N 0 1 217.328 2.483 20 0 BEADMN C[C@H](CCO)CNc1cc[nH+]c2c([O-])cccc12 ZINC000684574664 488328435 /nfs/dbraw/zinc/32/84/35/488328435.db2.gz LZZXYLMMGYVPKC-SNVBAGLBSA-N 0 1 246.310 2.371 20 0 BEADMN C[C@H]1CCN(Cc2ccn(C)c2)C[C@@H]1F ZINC000679358416 488345160 /nfs/dbraw/zinc/34/51/60/488345160.db2.gz IILBWZIXHVPMDN-JQWIXIFHSA-N 0 1 210.296 2.205 20 0 BEADMN CCc1nn(C)cc1N[C@@H](C)c1cn[nH]c1C ZINC000679363727 488347110 /nfs/dbraw/zinc/34/71/10/488347110.db2.gz XRPPOOOCHHTWDX-QMMMGPOBSA-N 0 1 233.319 2.187 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000679395977 488350715 /nfs/dbraw/zinc/35/07/15/488350715.db2.gz KVZHOPNYZMMELI-SMDDNHRTSA-N 0 1 235.327 2.392 20 0 BEADMN Cc1cc(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)n[nH]1 ZINC000679557420 488357972 /nfs/dbraw/zinc/35/79/72/488357972.db2.gz MWTSKTLVCNSZQC-NXEZZACHSA-N 0 1 249.358 2.407 20 0 BEADMN C[C@H]1SCC[C@@H]1NCc1nccs1 ZINC000220609261 490054510 /nfs/dbraw/zinc/05/45/10/490054510.db2.gz FEQZBMUVXUWHBZ-SFYZADRCSA-N 0 1 214.359 2.127 20 0 BEADMN COc1ccc(CNCc2n[nH]cc2C)c(C)c1 ZINC000685618377 490120272 /nfs/dbraw/zinc/12/02/72/490120272.db2.gz NWFIOKGAPZREIY-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000122151755 490126698 /nfs/dbraw/zinc/12/66/98/490126698.db2.gz RQCWEOFODSQPIG-VXNVDRBHSA-N 0 1 228.361 2.273 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000129404984 490140182 /nfs/dbraw/zinc/14/01/82/490140182.db2.gz NCVVDNLUYQXRSE-BZPMIXESSA-N 0 1 246.354 2.333 20 0 BEADMN CC(C)OCCN[C@@H](C)c1cn2ccccc2n1 ZINC000671120739 490149916 /nfs/dbraw/zinc/14/99/16/490149916.db2.gz NWQQCVIYSCNAMU-LBPRGKRZSA-N 0 1 247.342 2.410 20 0 BEADMN CC[C@@H]1CN(Cc2[nH]ncc2C)[C@@H](CC)CO1 ZINC000651913300 490154720 /nfs/dbraw/zinc/15/47/20/490154720.db2.gz RYILNOSMWUTUEO-NWDGAFQWSA-N 0 1 237.347 2.108 20 0 BEADMN CN(Cc1ccc(F)cc1F)C(C)(C)CO ZINC000129857866 490172857 /nfs/dbraw/zinc/17/28/57/490172857.db2.gz RIKQNDWXTMAFBR-UHFFFAOYSA-N 0 1 229.270 2.168 20 0 BEADMN CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000078712159 490220620 /nfs/dbraw/zinc/22/06/20/490220620.db2.gz XJHDESOACQRCMQ-GXTWGEPZSA-N 0 1 248.370 2.074 20 0 BEADMN C[C@@H](C(=O)NC1CCC(C)(C)CC1)N(C)C ZINC000078749779 490226486 /nfs/dbraw/zinc/22/64/86/490226486.db2.gz LKVFMORYIIOPRP-JTQLQIEISA-N 0 1 226.364 2.022 20 0 BEADMN C1=C(c2nc([C@@H]3CCCN3)no2)CCCC1 ZINC000647146410 490247230 /nfs/dbraw/zinc/24/72/30/490247230.db2.gz UZNOHDSEBJGWNV-JTQLQIEISA-N 0 1 219.288 2.452 20 0 BEADMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2n[nH]c3ccccc32)C1 ZINC000685438519 490268328 /nfs/dbraw/zinc/26/83/28/490268328.db2.gz WKMKMEIAEABHDS-PHIMTYICSA-N 0 1 245.326 2.172 20 0 BEADMN Cc1nc2c(n1CC(F)F)CCCC2 ZINC000124064538 490282991 /nfs/dbraw/zinc/28/29/91/490282991.db2.gz QCHUCQFRDGRZKM-UHFFFAOYSA-N 0 1 200.232 2.335 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)nc1 ZINC000228886513 490305183 /nfs/dbraw/zinc/30/51/83/490305183.db2.gz PBNAUDGCFUREGW-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN COc1nccnc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000294595987 490313589 /nfs/dbraw/zinc/31/35/89/490313589.db2.gz SVPLNQNKWSOTND-NEPJUHHUSA-N 0 1 249.358 2.496 20 0 BEADMN C[C@@]1(c2ccccc2)CCN(CC(N)=O)C1 ZINC000335245749 490391033 /nfs/dbraw/zinc/39/10/33/490391033.db2.gz IHVNZTDOOUASAZ-CYBMUJFWSA-N 0 1 218.300 2.185 20 0 BEADMN Cc1occc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000335516910 490394868 /nfs/dbraw/zinc/39/48/68/490394868.db2.gz HCTOKIRZZIQNLB-CYBMUJFWSA-N 0 1 246.314 2.017 20 0 BEADMN COc1ccc(CNCc2cncn2C)c(C)c1 ZINC000532212225 490407910 /nfs/dbraw/zinc/40/79/10/490407910.db2.gz JZTDJCZAMRJBGR-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN C[C@@H](Sc1c[nH]nn1)c1ccncc1 ZINC000675111150 490409872 /nfs/dbraw/zinc/40/98/72/490409872.db2.gz YKMUSSDTCWGSPY-SSDOTTSWSA-N 0 1 206.274 2.053 20 0 BEADMN Cc1cc(CN[C@H](C)CC(F)(F)F)on1 ZINC000125697640 490439535 /nfs/dbraw/zinc/43/95/35/490439535.db2.gz IIZKQDDRWVLIOS-SSDOTTSWSA-N 0 1 222.210 2.414 20 0 BEADMN C[C@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCC1 ZINC000131066546 490479878 /nfs/dbraw/zinc/47/98/78/490479878.db2.gz YFVAPPNSLHFBAX-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN O=C(CCc1cnc[nH]1)NCCC1=CCCCC1 ZINC000074726787 490500987 /nfs/dbraw/zinc/50/09/87/490500987.db2.gz LCFHPQDDHORNAY-UHFFFAOYSA-N 0 1 247.342 2.349 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCC1=CCCOC1 ZINC000127300696 490544391 /nfs/dbraw/zinc/54/43/91/490544391.db2.gz KOWSJZGAJYOHHN-VIFPVBQESA-N 0 1 236.315 2.289 20 0 BEADMN OCC1(CNCc2c(F)cccc2Cl)CC1 ZINC000080247034 490625392 /nfs/dbraw/zinc/62/53/92/490625392.db2.gz UJNYXYIVBUXQRR-UHFFFAOYSA-N 0 1 243.709 2.341 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)cc2)CC(C)(C)O1 ZINC000131430982 490636515 /nfs/dbraw/zinc/63/65/15/490636515.db2.gz XJDCHBSFXXYVDT-LLVKDONJSA-N 0 1 235.327 2.392 20 0 BEADMN CC[N@H+](Cc1ccc(O)cc1)C[C@@H]1CCCO1 ZINC000086237769 491059829 /nfs/dbraw/zinc/05/98/29/491059829.db2.gz FMWRIXQWSXLKGJ-AWEZNQCLSA-N 0 1 235.327 2.393 20 0 BEADMN c1ncc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000119918224 491093488 /nfs/dbraw/zinc/09/34/88/491093488.db2.gz ZQDUCTGEBRZUCN-STQMWFEESA-N 0 1 217.316 2.241 20 0 BEADMN CCCN(CC(N)=O)Cc1coc2ccccc12 ZINC000430134211 491107023 /nfs/dbraw/zinc/10/70/23/491107023.db2.gz QMVYWDSZWWPMDA-UHFFFAOYSA-N 0 1 246.310 2.130 20 0 BEADMN CC(C)c1cc(CN[C@@H](C)Cn2cccn2)on1 ZINC000138462500 491122496 /nfs/dbraw/zinc/12/24/96/491122496.db2.gz LDISXEITVAFOBB-NSHDSACASA-N 0 1 248.330 2.173 20 0 BEADMN COCC[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000308526119 491136930 /nfs/dbraw/zinc/13/69/30/491136930.db2.gz QRVUDQIOHHHUTF-RKDXNWHRSA-N 0 1 207.264 2.189 20 0 BEADMN Fc1ccc2c(c1)[C@@H](NC1CSC1)CCO2 ZINC000309568486 491151805 /nfs/dbraw/zinc/15/18/05/491151805.db2.gz LXNBTDZZAFKRAY-NSHDSACASA-N 0 1 239.315 2.354 20 0 BEADMN CC(C)[C@H](O)C1(CNCc2nccs2)CC1 ZINC000309704365 491155368 /nfs/dbraw/zinc/15/53/68/491155368.db2.gz UVASUSPLRXACHL-NSHDSACASA-N 0 1 240.372 2.030 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1F ZINC000083410420 491161499 /nfs/dbraw/zinc/16/14/99/491161499.db2.gz ILKAYTMDCLWJRZ-UHFFFAOYSA-N 0 1 225.263 2.041 20 0 BEADMN Cc1[nH]ncc1CNc1nc(C2CC2)ns1 ZINC000083653656 491162442 /nfs/dbraw/zinc/16/24/42/491162442.db2.gz ZAMRXQAIGCMYDE-UHFFFAOYSA-N 0 1 235.316 2.059 20 0 BEADMN CC(C)OC(=O)CC[C@@H](C)N(C)CCF ZINC001172770773 974937263 /nfs/dbraw/zinc/93/72/63/974937263.db2.gz NTSWLULTLOSGFO-SNVBAGLBSA-N 0 1 219.300 2.008 20 0 BEADMN C[C@@]1(CCNCc2csnn2)C[C@@]1(F)Cl ZINC000846037901 582643190 /nfs/dbraw/zinc/64/31/90/582643190.db2.gz NAFPBAUDVWQYNW-BDAKNGLRSA-N 0 1 249.742 2.332 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H]1C)c1csnn1 ZINC000306619661 533981897 /nfs/dbraw/zinc/98/18/97/533981897.db2.gz TZPDTRUGBMPCFN-XHNCKOQMSA-N 0 1 211.334 2.377 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@@H](C)C[C@H]1C)C(=O)[O-] ZINC000214550573 582688718 /nfs/dbraw/zinc/68/87/18/582688718.db2.gz CBZOYMGQVWZUNH-KXNDTWRZSA-N 0 1 211.305 2.138 20 0 BEADMN O[C@H]1CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891639638 582704594 /nfs/dbraw/zinc/70/45/94/582704594.db2.gz JOINKMWIQNQHSB-VIFPVBQESA-N 0 1 245.244 2.330 20 0 BEADMN CCc1nocc1CN(CC)C[C@H]1CCCO1 ZINC000350664831 535905557 /nfs/dbraw/zinc/90/55/57/535905557.db2.gz XMMKDRZMVLYKBZ-GFCCVEGCSA-N 0 1 238.331 2.238 20 0 BEADMN CC[C@@]1(C)CCCN(c2ccncc2C(N)=O)C1 ZINC000302182271 536039910 /nfs/dbraw/zinc/03/99/10/536039910.db2.gz ZCBCATABIZLDCJ-AWEZNQCLSA-N 0 1 247.342 2.197 20 0 BEADMN CCOc1ccc(CN(CCCO)C2CC2)o1 ZINC000892035336 582768469 /nfs/dbraw/zinc/76/84/69/582768469.db2.gz GWFPEOIZUPFDAG-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN CC(=O)NCCCN1Cc2ccccc2[C@@H]1C ZINC000348150116 534394283 /nfs/dbraw/zinc/39/42/83/534394283.db2.gz BUKLKGKDJMMJHR-NSHDSACASA-N 0 1 232.327 2.089 20 0 BEADMN CC(=O)NCCCN1Cc2ccccc2[C@H]1C ZINC000348150115 534397221 /nfs/dbraw/zinc/39/72/21/534397221.db2.gz BUKLKGKDJMMJHR-LLVKDONJSA-N 0 1 232.327 2.089 20 0 BEADMN CCc1ccc(CNCc2cnn(C)c2)cc1 ZINC000020349127 523944911 /nfs/dbraw/zinc/94/49/11/523944911.db2.gz JGNMAMXUOXAEQB-UHFFFAOYSA-N 0 1 229.327 2.272 20 0 BEADMN CC(=O)c1cccc(CN2CC[C@@H](C)[C@H](O)C2)c1 ZINC000336198702 534888924 /nfs/dbraw/zinc/88/89/24/534888924.db2.gz OKYGFTWNGJQVMP-IAQYHMDHSA-N 0 1 247.338 2.092 20 0 BEADMN CC(C)C(CNCC(F)(F)CO)C(C)C ZINC000308938052 527586497 /nfs/dbraw/zinc/58/64/97/527586497.db2.gz QUHXIIMEQOGQBH-UHFFFAOYSA-N 0 1 223.307 2.132 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC2CCC2)C[C@@H]1C ZINC000496345704 527927107 /nfs/dbraw/zinc/92/71/07/527927107.db2.gz NCARIWHSSHAAJU-WDEREUQCSA-N 0 1 240.347 2.090 20 0 BEADMN COC[C@@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000349249414 536524941 /nfs/dbraw/zinc/52/49/41/536524941.db2.gz XHSOLKPGXGAHFL-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN CCCCCNC(=O)CN1CCC(C)=C(C)C1 ZINC000483357443 528192246 /nfs/dbraw/zinc/19/22/46/528192246.db2.gz KXNCEOGUUVFHGZ-UHFFFAOYSA-N 0 1 238.375 2.335 20 0 BEADMN CCOC(=O)CN1C[C@@H](CC)CC[C@H]1C ZINC000308886984 528810901 /nfs/dbraw/zinc/81/09/01/528810901.db2.gz XBPSITYTRYXBKB-MNOVXSKESA-N 0 1 213.321 2.060 20 0 BEADMN CCN1CCN(C(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC000492806829 529109518 /nfs/dbraw/zinc/10/95/18/529109518.db2.gz XOVUIPFLNIDOTD-QDZRJHCZSA-N 0 1 238.375 2.141 20 0 BEADMN CCN1CCN(CC2CCCCC2)[C@@H](C)C1=O ZINC000495219191 529140458 /nfs/dbraw/zinc/14/04/58/529140458.db2.gz CQGOTDQHDGOEKA-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1[C@@H]1C=CCCC1 ZINC000495232324 529192906 /nfs/dbraw/zinc/19/29/06/529192906.db2.gz RJMIPBJTXTWSOJ-OLZOCXBDSA-N 0 1 236.359 2.038 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)/C=C/C(C)(C)C ZINC000493419156 529285203 /nfs/dbraw/zinc/28/52/03/529285203.db2.gz LVGKZILUUUVHCG-GUOLPTJISA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)[C@H](C)N(C)C(=O)c1cnc(C2CC2)[nH]1 ZINC000342398419 534953066 /nfs/dbraw/zinc/95/30/66/534953066.db2.gz GUUOLHPZEUGVEO-VIFPVBQESA-N 0 1 235.331 2.404 20 0 BEADMN CC(C)c1nnc(CN2CC[C@@H]3CCC[C@H]32)n1C ZINC000336105669 534976497 /nfs/dbraw/zinc/97/64/97/534976497.db2.gz VRPTWZHRUWDXTD-NWDGAFQWSA-N 0 1 248.374 2.313 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cccc(F)c1F ZINC000335630351 535029652 /nfs/dbraw/zinc/02/96/52/535029652.db2.gz CQHXLNPNAXONGI-NSHDSACASA-N 0 1 241.281 2.310 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000263354534 535042846 /nfs/dbraw/zinc/04/28/46/535042846.db2.gz RAODNBFJQOJANO-BETUJISGSA-N 0 1 245.322 2.473 20 0 BEADMN CC(C)(CCO)CNCc1ncc(Cl)s1 ZINC000225361730 535047190 /nfs/dbraw/zinc/04/71/90/535047190.db2.gz AETVGKRVFHUJIW-UHFFFAOYSA-N 0 1 248.779 2.295 20 0 BEADMN CC1=C(C)C[C@H](C(=O)N[C@@H](C)c2nnc[nH]2)CC1 ZINC000335561926 535239058 /nfs/dbraw/zinc/23/90/58/535239058.db2.gz SEDSTWDSLBBRDD-WDEREUQCSA-N 0 1 248.330 2.118 20 0 BEADMN CC(C)(NC(=O)c1ccc2cncn2c1)C1CC1 ZINC000334290940 535239877 /nfs/dbraw/zinc/23/98/77/535239877.db2.gz LNHDZQITRBHDKP-UHFFFAOYSA-N 0 1 243.310 2.253 20 0 BEADMN CCCC[C@@H](CC)CN1CCNC(=O)[C@H]1C ZINC000248887671 535348504 /nfs/dbraw/zinc/34/85/04/535348504.db2.gz QZXAABIZTQFKET-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)c1cc(C(=O)N2[C@H](C)C[C@H]2C)n[nH]1 ZINC000336066349 535359656 /nfs/dbraw/zinc/35/96/56/535359656.db2.gz NAWHTOSYZKPBMN-RKDXNWHRSA-N 0 1 221.304 2.156 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)c1ccc(C)cc1 ZINC000334400182 535439738 /nfs/dbraw/zinc/43/97/38/535439738.db2.gz MWJJYSHSJUSNIZ-CQSZACIVSA-N 0 1 246.354 2.209 20 0 BEADMN CC[C@@H](C)N(C)C(=O)c1ccc2cncn2c1 ZINC000335980485 535547439 /nfs/dbraw/zinc/54/74/39/535547439.db2.gz QITSCKRGHLSNOW-SNVBAGLBSA-N 0 1 231.299 2.205 20 0 BEADMN CCC[C@H](O)CNCc1ncc(Cl)s1 ZINC000225345115 535717239 /nfs/dbraw/zinc/71/72/39/535717239.db2.gz YNXBLAYDUWDNTE-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN CC[C@@H]1CC[C@@H]1NCc1ncnn1C(C)(C)C ZINC000348330138 535823751 /nfs/dbraw/zinc/82/37/51/535823751.db2.gz HMTCFIXDQYPKML-MNOVXSKESA-N 0 1 236.363 2.311 20 0 BEADMN CN(C)Cc1cnc(/C=C\c2ccncn2)s1 ZINC000349105169 536054064 /nfs/dbraw/zinc/05/40/64/536054064.db2.gz GDODZLZURJSNEX-ARJAWSKDSA-N 0 1 246.339 2.165 20 0 BEADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184633669 536065660 /nfs/dbraw/zinc/06/56/60/536065660.db2.gz JMZVMSTXSHBJNI-RNCFNFMXSA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@@]1(C)C[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184633669 536065667 /nfs/dbraw/zinc/06/56/67/536065667.db2.gz JMZVMSTXSHBJNI-RNCFNFMXSA-N 0 1 248.330 2.447 20 0 BEADMN CC[C@@]1(O)CCN(Cc2ccc(F)cc2F)C1 ZINC000335695640 536085106 /nfs/dbraw/zinc/08/51/06/536085106.db2.gz BMGLXIBXFJJFNV-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN CCc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)n[nH]1 ZINC000335335720 536105339 /nfs/dbraw/zinc/10/53/39/536105339.db2.gz VBVDKJLTSDDHKM-JTQLQIEISA-N 0 1 247.342 2.377 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)C1CCCC1 ZINC000335573618 536133480 /nfs/dbraw/zinc/13/34/80/536133480.db2.gz AEKAYQLULJSBSX-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CCc1ccc(CN2C[C@H](C)[C@H]2C)nc1 ZINC000335930652 536179697 /nfs/dbraw/zinc/17/96/97/536179697.db2.gz JXICMHDRGPISHI-WDEREUQCSA-N 0 1 204.317 2.484 20 0 BEADMN CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000335974448 536389412 /nfs/dbraw/zinc/38/94/12/536389412.db2.gz WWGCTXZOKNJROT-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1CCCCF ZINC000351812997 536523669 /nfs/dbraw/zinc/52/36/69/536523669.db2.gz FYSPGUOOLKKVTG-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN COC[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000176169660 536586382 /nfs/dbraw/zinc/58/63/82/536586382.db2.gz SOUCGQUBFNCDKF-CQSZACIVSA-N 0 1 241.375 2.304 20 0 BEADMN COc1cc(C)nc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000342235424 536694335 /nfs/dbraw/zinc/69/43/35/536694335.db2.gz VFVRXMRSLUPAAH-WDEREUQCSA-N 0 1 242.269 2.142 20 0 BEADMN COCc1ccc(CN(C)C2CC(OC)C2)o1 ZINC000348701171 536765030 /nfs/dbraw/zinc/76/50/30/536765030.db2.gz CHYQJBCZFPRNPD-UHFFFAOYSA-N 0 1 239.315 2.035 20 0 BEADMN C[C@@H]1CC[C@@H]1N[C@H](CO)c1c(F)cccc1F ZINC000783252366 582953771 /nfs/dbraw/zinc/95/37/71/582953771.db2.gz PGEUHEXHEAFCIU-JFUSQASVSA-N 0 1 241.281 2.386 20 0 BEADMN CCC/C(C)=C/C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853218227 583029914 /nfs/dbraw/zinc/02/99/14/583029914.db2.gz JSURVONFEJAJJT-ORZBULNSSA-N 0 1 223.276 2.155 20 0 BEADMN Cn1ncnc1CNCCCC1CCCCC1 ZINC000395126103 583042263 /nfs/dbraw/zinc/04/22/63/583042263.db2.gz CBQDMAPRAOMWRK-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN CCC[N@@H+](CC)Cc1c(C)ccnc1N ZINC000893862973 583233837 /nfs/dbraw/zinc/23/38/37/583233837.db2.gz BDERYNQLXGHJOQ-UHFFFAOYSA-N 0 1 207.321 2.204 20 0 BEADMN Cc1n[nH]c(CN2C[C@@H](C)S[C@@H](C)C2)c1C ZINC000893978096 583266581 /nfs/dbraw/zinc/26/65/81/583266581.db2.gz PIGDIEIYHUPCCJ-DTORHVGOSA-N 0 1 239.388 2.352 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)s1 ZINC000853213908 588725329 /nfs/dbraw/zinc/72/53/29/588725329.db2.gz LMQJRXGCWKUOHW-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1C ZINC000853213274 588725506 /nfs/dbraw/zinc/72/55/06/588725506.db2.gz IJQDJUKECOESFK-SNVBAGLBSA-N 0 1 245.282 2.340 20 0 BEADMN C[C@H](OC(=O)CCc1ccccc1)c1nnc[nH]1 ZINC000853214950 588725554 /nfs/dbraw/zinc/72/55/54/588725554.db2.gz PYTLQDOQGWJTKI-JTQLQIEISA-N 0 1 245.282 2.042 20 0 BEADMN Cc1ccc(F)cc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853217064 588725571 /nfs/dbraw/zinc/72/55/71/588725571.db2.gz USCYSRZKKOSNCW-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cscc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853219071 588725916 /nfs/dbraw/zinc/72/59/16/588725916.db2.gz CUFICMWIKPXNEC-ZETCQYMHSA-N 0 1 237.284 2.093 20 0 BEADMN CCC[C@@H](C)CC(=O)O[C@H](C)c1nnc[nH]1 ZINC000853217595 588725990 /nfs/dbraw/zinc/72/59/90/588725990.db2.gz BSTVMUGAIKOCJZ-RKDXNWHRSA-N 0 1 225.292 2.235 20 0 BEADMN C/C(=C\C(=O)O[C@@H](C)c1nnc[nH]1)C(C)(C)C ZINC000853220994 588726246 /nfs/dbraw/zinc/72/62/46/588726246.db2.gz PVUYCXFDMJCUMF-ORZBULNSSA-N 0 1 237.303 2.401 20 0 BEADMN C[C@@H](OC(=O)[C@@H](C)C1CCCC1)c1nnc[nH]1 ZINC000853220691 588726259 /nfs/dbraw/zinc/72/62/59/588726259.db2.gz MYEOQXIIXGRDMO-DTWKUNHWSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)c(F)c1 ZINC000853221393 588726328 /nfs/dbraw/zinc/72/63/28/588726328.db2.gz UXZNHRNZQYPODZ-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cc(F)cc(C(=O)O[C@@H](C)c2nnc[nH]2)c1 ZINC000853220975 588726338 /nfs/dbraw/zinc/72/63/38/588726338.db2.gz PGAXKEBZJZWDFY-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cc(C(=O)O[C@@H](C)c2nnc[nH]2)ccc1F ZINC000853221669 588726344 /nfs/dbraw/zinc/72/63/44/588726344.db2.gz ZCMIPTVOVILUMN-QMMMGPOBSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CCC(C)(C)C1)c1nnc[nH]1 ZINC000853222394 588726684 /nfs/dbraw/zinc/72/66/84/588726684.db2.gz LMWFJCIWHLZARD-RKDXNWHRSA-N 0 1 237.303 2.235 20 0 BEADMN CC[C@H](C)CCC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222790 588726711 /nfs/dbraw/zinc/72/67/11/588726711.db2.gz BTQNKUIWOKMZJV-IUCAKERBSA-N 0 1 225.292 2.235 20 0 BEADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224355 588727044 /nfs/dbraw/zinc/72/70/44/588727044.db2.gz FQZCUHXPBGGLAE-YGOYTEALSA-N 0 1 237.303 2.091 20 0 BEADMN C[C@H](OC(=O)CC1(C)CCCC1)c1nnc[nH]1 ZINC000853223517 588727053 /nfs/dbraw/zinc/72/70/53/588727053.db2.gz KOKGOKBMAGLZKD-VIFPVBQESA-N 0 1 237.303 2.379 20 0 BEADMN C[C@H](OC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nnc[nH]1 ZINC000853225939 588727178 /nfs/dbraw/zinc/72/71/78/588727178.db2.gz SZKNNLYEOUXPNX-ZRUFSTJUSA-N 0 1 247.298 2.011 20 0 BEADMN C[C@H](OC(=O)[C@@H]1CCCC[C@@H]1C)c1nnc[nH]1 ZINC000853225950 588727342 /nfs/dbraw/zinc/72/73/42/588727342.db2.gz TUJZIKRCYMCHSS-LPEHRKFASA-N 0 1 237.303 2.235 20 0 BEADMN CCCC[C@@](C)(F)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853227745 588727544 /nfs/dbraw/zinc/72/75/44/588727544.db2.gz SSYPRTOUIDZYGO-LDYMZIIASA-N 0 1 243.282 2.327 20 0 BEADMN CC(=CC(=O)O[C@H](C)c1nnc[nH]1)c1ccco1 ZINC000853226880 588727611 /nfs/dbraw/zinc/72/76/11/588727611.db2.gz JDRGDYGBOJCHEZ-JGAIRUGNSA-N 0 1 247.254 2.105 20 0 BEADMN C[C@H](OC(=O)c1ccc(CF)cc1)c1nnc[nH]1 ZINC000853227342 588727690 /nfs/dbraw/zinc/72/76/90/588727690.db2.gz OAWLGZQCKDTUGH-QMMMGPOBSA-N 0 1 249.245 2.192 20 0 BEADMN CC(=Cc1ccco1)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853227418 588727721 /nfs/dbraw/zinc/72/77/21/588727721.db2.gz PWSAKSLKDKQHSA-BNICOGTQSA-N 0 1 247.254 2.105 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853226325 588727745 /nfs/dbraw/zinc/72/77/45/588727745.db2.gz WOSCEDIOZQVWTB-IVZWLZJFSA-N 0 1 237.303 2.091 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1CC2CCC1CC2)c1nnc[nH]1 ZINC000853226349 588727831 /nfs/dbraw/zinc/72/78/31/588727831.db2.gz WVNZAXWZZXPFRR-AGVGLQIMSA-N 0 1 249.314 2.235 20 0 BEADMN c1cc(C[NH2+]C[C@@H]2CCc3ccccc32)[nH]n1 ZINC000111390710 588747622 /nfs/dbraw/zinc/74/76/22/588747622.db2.gz YJHVQPZIVTUCMS-LBPRGKRZSA-N 0 1 227.311 2.229 20 0 BEADMN CN(C[C@H]1CC1(C)C)Cn1cc[nH]c1=S ZINC000853627850 588750687 /nfs/dbraw/zinc/75/06/87/588750687.db2.gz HURMAUJKTUYNON-SECBINFHSA-N 0 1 225.361 2.107 20 0 BEADMN CN(C[C@@H]1CC1(C)C)CN1CCSC1=O ZINC000853627054 588750865 /nfs/dbraw/zinc/75/08/65/588750865.db2.gz MVEYCZDTCNVSIF-VIFPVBQESA-N 0 1 228.361 2.091 20 0 BEADMN O=C(c1nc[nH]c1C(F)(F)F)N1CCCCC1 ZINC000854120104 588775431 /nfs/dbraw/zinc/77/54/31/588775431.db2.gz XMVAAVDJPROONS-UHFFFAOYSA-N 0 1 247.220 2.055 20 0 BEADMN CC[C@@H](NC)c1nc(-c2cncc(C)c2)no1 ZINC000854136928 588776610 /nfs/dbraw/zinc/77/66/10/588776610.db2.gz ODCQPZKMEDXXCB-SNVBAGLBSA-N 0 1 232.287 2.111 20 0 BEADMN CC[C@@H](NC)c1nc(-c2nc(C)cs2)no1 ZINC000854139614 588776620 /nfs/dbraw/zinc/77/66/20/588776620.db2.gz YMDFNQIJDHPVSG-SSDOTTSWSA-N 0 1 238.316 2.172 20 0 BEADMN CC[C@H](NC)c1nc(-c2cncc(C)c2)no1 ZINC000854136927 588776657 /nfs/dbraw/zinc/77/66/57/588776657.db2.gz ODCQPZKMEDXXCB-JTQLQIEISA-N 0 1 232.287 2.111 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ncc(C)s2)no1 ZINC000854160056 588777492 /nfs/dbraw/zinc/77/74/92/588777492.db2.gz GMGWDSBHAFCFDV-SSDOTTSWSA-N 0 1 238.316 2.172 20 0 BEADMN O=C(NOc1ccccc1)C1CC(F)(F)C1 ZINC000854535977 588791356 /nfs/dbraw/zinc/79/13/56/588791356.db2.gz CMHSXEDEUCTYOU-UHFFFAOYSA-N 0 1 227.210 2.142 20 0 BEADMN O=C(/C=C/C1CC1)NCc1ccc2nc[nH]c2c1 ZINC000854810286 588812033 /nfs/dbraw/zinc/81/20/33/588812033.db2.gz PJACHJGEJMENBE-GQCTYLIASA-N 0 1 241.294 2.145 20 0 BEADMN CN(C)C1(C(=O)N2CCCCCCCC2)CC1 ZINC000854841881 588813208 /nfs/dbraw/zinc/81/32/08/588813208.db2.gz BZUOVFWZDQRYIP-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N[C@H]1CCN(CC)C1 ZINC000854944109 588817664 /nfs/dbraw/zinc/81/76/64/588817664.db2.gz FCJBILWEOJDEAR-WCQYABFASA-N 0 1 244.354 2.115 20 0 BEADMN CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000112997640 588822116 /nfs/dbraw/zinc/82/21/16/588822116.db2.gz WYDCZMPDEOHPFD-GHMZBOCLSA-N 0 1 242.363 2.336 20 0 BEADMN CC=C(C=CC(=O)N(C)Cc1cnc[nH]1)CC ZINC000855136137 588823167 /nfs/dbraw/zinc/82/31/67/588823167.db2.gz LXYYVRUBJCURDN-BJNIYONUSA-N 0 1 233.315 2.281 20 0 BEADMN CCC(F)(F)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855163377 588824652 /nfs/dbraw/zinc/82/46/52/588824652.db2.gz XCNSDMFJPWASKF-VIFPVBQESA-N 0 1 248.317 2.021 20 0 BEADMN O=C1CCCN1CN1CCC[C@H]1c1ccccc1 ZINC000113239232 588827860 /nfs/dbraw/zinc/82/78/60/588827860.db2.gz GRDCJKNBWDTQDU-AWEZNQCLSA-N 0 1 244.338 2.403 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C=CCC1 ZINC000855430130 588834866 /nfs/dbraw/zinc/83/48/66/588834866.db2.gz UXCZJTGBBKCFDO-SNVBAGLBSA-N 0 1 233.315 2.290 20 0 BEADMN CCCONC(=O)[C@@H](CC)c1c(C)noc1C ZINC000844084513 582569232 /nfs/dbraw/zinc/56/92/32/582569232.db2.gz UFAXPJLPTGZBSY-JTQLQIEISA-N 0 1 240.303 2.243 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC/C=C/Cl ZINC000891206448 582631616 /nfs/dbraw/zinc/63/16/16/582631616.db2.gz XIYLUCIUQSLHCV-SNAWJCMRSA-N 0 1 241.722 2.324 20 0 BEADMN C[C@@H](C(=O)NC1(C2CCCCC2)CC1)N(C)C ZINC000891276598 582651965 /nfs/dbraw/zinc/65/19/65/582651965.db2.gz ZBPSNVVAWHHMKG-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](NCc1coc(C2CC2)n1)[C@@H]1CCOC1 ZINC000742376957 582664599 /nfs/dbraw/zinc/66/45/99/582664599.db2.gz JGHOYGFEXXARJS-GXSJLCMTSA-N 0 1 236.315 2.067 20 0 BEADMN CN(Cc1cnn(C2CCC2)c1)C[C@H]1CCCO1 ZINC000891581857 582698917 /nfs/dbraw/zinc/69/89/17/582698917.db2.gz NYCYQZGLLYBDDT-CQSZACIVSA-N 0 1 249.358 2.219 20 0 BEADMN COCCOc1ccc(C[N@H+]2CC[C@H](C)C2)o1 ZINC000891799374 582724167 /nfs/dbraw/zinc/72/41/67/582724167.db2.gz VWSKZPSNVXUIEH-NSHDSACASA-N 0 1 239.315 2.147 20 0 BEADMN CC(C)CCCCN(C)[C@H](C)CS(C)(=O)=O ZINC000892035942 582768896 /nfs/dbraw/zinc/76/88/96/582768896.db2.gz FVFHTGRQGOWKOR-GFCCVEGCSA-N 0 1 249.420 2.178 20 0 BEADMN CC1=CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC000892068550 582784122 /nfs/dbraw/zinc/78/41/22/582784122.db2.gz BDUHWHMNNXOPOU-UHFFFAOYSA-N 0 1 231.343 2.450 20 0 BEADMN COc1nccc(CN2C[C@H](C)[C@H](C)C2)c1F ZINC000892069191 582784926 /nfs/dbraw/zinc/78/49/26/582784926.db2.gz ZASOBYPDXGQVKZ-AOOOYVTPSA-N 0 1 238.306 2.317 20 0 BEADMN C[C@@]1(O)CCN(Cc2cc(O)cc(Cl)c2)C1 ZINC000892186074 582807091 /nfs/dbraw/zinc/80/70/91/582807091.db2.gz QEYPGGNNJJFKOU-GFCCVEGCSA-N 0 1 241.718 2.002 20 0 BEADMN CCC1(C)CCN(c2nc(C)cc(N)n2)CC1 ZINC000892254940 582813843 /nfs/dbraw/zinc/81/38/43/582813843.db2.gz VFTAWZDESXPCFO-UHFFFAOYSA-N 0 1 234.347 2.384 20 0 BEADMN Cc1ccc(CN(C)c2nc(C)cc(N)n2)s1 ZINC000892308065 582834987 /nfs/dbraw/zinc/83/49/87/582834987.db2.gz CZDMPLPYEYXXGH-UHFFFAOYSA-N 0 1 248.355 2.374 20 0 BEADMN COc1ccc(CNC[C@H](O)c2ccccc2)o1 ZINC000892435861 582886938 /nfs/dbraw/zinc/88/69/38/582886938.db2.gz UCZPQRQDAVBPBR-ZDUSSCGKSA-N 0 1 247.294 2.111 20 0 BEADMN CC[C@H]1CCCN(c2nc(C)cc(N)n2)CC1 ZINC000892581749 582921815 /nfs/dbraw/zinc/92/18/15/582921815.db2.gz WRSDTFIXJBWTOI-NSHDSACASA-N 0 1 234.347 2.384 20 0 BEADMN C=Cn1cc(CNc2nccn2C2CC2)cn1 ZINC000840886652 582943906 /nfs/dbraw/zinc/94/39/06/582943906.db2.gz KNXRMTZDPMLPRW-UHFFFAOYSA-N 0 1 229.287 2.127 20 0 BEADMN CN(Cc1cccs1)C[C@H]1COC(C)(C)O1 ZINC000851718047 582963944 /nfs/dbraw/zinc/96/39/44/582963944.db2.gz CKHCZGXNERAJGK-JTQLQIEISA-N 0 1 241.356 2.331 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n[nH]1 ZINC000840580542 582973260 /nfs/dbraw/zinc/97/32/60/582973260.db2.gz NIOAPJCJJOEILJ-DMLMCSCLSA-N 0 1 249.314 2.154 20 0 BEADMN Cc1cnc([C@H](C)Nc2nc(C)cc(N)n2)s1 ZINC000892842010 582993654 /nfs/dbraw/zinc/99/36/54/582993654.db2.gz JBHIFIMKFASRAT-QMMMGPOBSA-N 0 1 249.343 2.305 20 0 BEADMN CCC[C@@H]1CCCN(c2nc(C)cc(N)n2)C1 ZINC000892895248 583007214 /nfs/dbraw/zinc/00/72/14/583007214.db2.gz OZMHUCBTLQXXEJ-LLVKDONJSA-N 0 1 234.347 2.384 20 0 BEADMN CCC[C@H](C(=O)O[C@H](C)c1nnc[nH]1)C(C)C ZINC000853222694 583031995 /nfs/dbraw/zinc/03/19/95/583031995.db2.gz QTEIGKSJZLZLOH-ZJUUUORDSA-N 0 1 239.319 2.481 20 0 BEADMN CCC[C@H](C(=O)O[C@@H](C)c1nnc[nH]1)C(C)C ZINC000853222692 583032054 /nfs/dbraw/zinc/03/20/54/583032054.db2.gz QTEIGKSJZLZLOH-UWVGGRQHSA-N 0 1 239.319 2.481 20 0 BEADMN Cc1cc(N)nc(N(C)C[C@@H]2CC=CCC2)n1 ZINC000893136949 583055831 /nfs/dbraw/zinc/05/58/31/583055831.db2.gz XWMKNUINJSOHTM-LLVKDONJSA-N 0 1 232.331 2.160 20 0 BEADMN CC(=O)OC[C@H](C)Nc1cc(C)cc(C)n1 ZINC000893201903 583069838 /nfs/dbraw/zinc/06/98/38/583069838.db2.gz ABZNYGUAEVSQLI-JTQLQIEISA-N 0 1 222.288 2.062 20 0 BEADMN CC(C)(CC(=O)OCCN1CCC1)CC(F)F ZINC000893273730 583082279 /nfs/dbraw/zinc/08/22/79/583082279.db2.gz GAUUNVAEADNVCT-UHFFFAOYSA-N 0 1 249.301 2.307 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CCCC2(F)F)CN1C1CC1 ZINC000398082547 583119379 /nfs/dbraw/zinc/11/93/79/583119379.db2.gz HFRLNQXUDBUBLZ-JFGNBEQYSA-N 0 1 244.329 2.389 20 0 BEADMN CCCSC[C@@H](C)NCc1ccno1 ZINC000893550204 583163043 /nfs/dbraw/zinc/16/30/43/583163043.db2.gz CSLSRMCCIGKRQP-SECBINFHSA-N 0 1 214.334 2.296 20 0 BEADMN CCc1onc(C)c1CNCCOC(C)C ZINC000893565137 583164756 /nfs/dbraw/zinc/16/47/56/583164756.db2.gz KOFUAYRBCIWYGS-UHFFFAOYSA-N 0 1 226.320 2.060 20 0 BEADMN Cn1cc(CN2CCCCCC2)c(Cl)n1 ZINC000857011324 588881899 /nfs/dbraw/zinc/88/18/99/588881899.db2.gz AUEFJPLSRRJIDT-UHFFFAOYSA-N 0 1 227.739 2.450 20 0 BEADMN Cn1cc(CN2CCC[C@@H]2C2CC2)c(Cl)n1 ZINC000857017204 588882174 /nfs/dbraw/zinc/88/21/74/588882174.db2.gz DPOCXKMTPUUOJR-LLVKDONJSA-N 0 1 239.750 2.448 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000223834326 583181764 /nfs/dbraw/zinc/18/17/64/583181764.db2.gz CTCZHCLDANRSIO-OCCSQVGLSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@H]1CN(Cc2cn(C)nc2Cl)C[C@@H]1C ZINC000857022144 588882388 /nfs/dbraw/zinc/88/23/88/588882388.db2.gz HGJZIYFYNSICEJ-IUCAKERBSA-N 0 1 227.739 2.161 20 0 BEADMN Cc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000223832222 583181998 /nfs/dbraw/zinc/18/19/98/583181998.db2.gz AYVJNSFYUJBVSV-AAEUAGOBSA-N 0 1 233.311 2.148 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cn(C)nc1Cl ZINC000857022070 588882552 /nfs/dbraw/zinc/88/25/52/588882552.db2.gz DKCBEYJTIMLKER-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN CC[C@@H]1CCN(Cc2cn(C)nc2Cl)C1 ZINC000857024821 588882783 /nfs/dbraw/zinc/88/27/83/588882783.db2.gz APUYBVLDXYAVAJ-SECBINFHSA-N 0 1 227.739 2.305 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@]1(C)CCC[C@H]1C ZINC000893871567 583237104 /nfs/dbraw/zinc/23/71/04/583237104.db2.gz GAQUIVJWCZAGER-YRGRVCCFSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1noc2ncc(CN3CCCC3)cc12 ZINC000893872731 583237571 /nfs/dbraw/zinc/23/75/71/583237571.db2.gz ZWNOJJDXUJFJSN-UHFFFAOYSA-N 0 1 217.272 2.127 20 0 BEADMN Cc1[nH]nc(CN2CCn3cccc3[C@@H]2C)c1C ZINC000893879135 583239661 /nfs/dbraw/zinc/23/96/61/583239661.db2.gz CPJRSFDDTLPGPO-LBPRGKRZSA-N 0 1 244.342 2.405 20 0 BEADMN CC[C@@H]1CN(Cc2n[nH]c(C)c2C)C[C@@H](C)O1 ZINC000893976050 583264523 /nfs/dbraw/zinc/26/45/23/583264523.db2.gz LYJGHEBDMDGVSL-BXKDBHETSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1ncoc1CN1CCC(C(F)F)CC1 ZINC000894032640 583277589 /nfs/dbraw/zinc/27/75/89/583277589.db2.gz PWRUADBJSMUVKJ-UHFFFAOYSA-N 0 1 230.258 2.460 20 0 BEADMN Cc1coc(CN(C)CCOCC2CC2)c1 ZINC000894075889 583297475 /nfs/dbraw/zinc/29/74/75/583297475.db2.gz JAADNCRUVCTKMY-UHFFFAOYSA-N 0 1 223.316 2.446 20 0 BEADMN Cc1ncoc1CN1CC[C@H](OCC(C)C)C1 ZINC000894094831 583300048 /nfs/dbraw/zinc/30/00/48/583300048.db2.gz NHMIBCMBTBWFBU-LBPRGKRZSA-N 0 1 238.331 2.230 20 0 BEADMN Cc1ccc2c(c1C)OC[C@H]2NCc1cnc[nH]1 ZINC000894138158 583314201 /nfs/dbraw/zinc/31/42/01/583314201.db2.gz YKSPSPQRLMSQGN-CYBMUJFWSA-N 0 1 243.310 2.250 20 0 BEADMN COc1ccc(CN2CCC[C@@](C)(OC)C2)o1 ZINC000894140999 583316814 /nfs/dbraw/zinc/31/68/14/583316814.db2.gz UFVVNIGEEAYAJF-CYBMUJFWSA-N 0 1 239.315 2.289 20 0 BEADMN Cc1ncoc1CNCCOc1cccc(C)c1 ZINC000894142416 583316819 /nfs/dbraw/zinc/31/68/19/583316819.db2.gz LKUVEDPQWQWTHU-UHFFFAOYSA-N 0 1 246.310 2.460 20 0 BEADMN Cc1ccnc(N)c1CNCc1cccs1 ZINC000894140637 583316980 /nfs/dbraw/zinc/31/69/80/583316980.db2.gz NDRJBYITBRFAGS-UHFFFAOYSA-N 0 1 233.340 2.324 20 0 BEADMN Cc1ncoc1CNC[C@H](O)c1ccc(C)cc1 ZINC000894199246 583336610 /nfs/dbraw/zinc/33/66/10/583336610.db2.gz KTCYJTLAPZATBL-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN FCCC1CCN(Cc2cncnc2)CC1 ZINC000877673107 583343291 /nfs/dbraw/zinc/34/32/91/583343291.db2.gz ABMFSONJBVFXAV-UHFFFAOYSA-N 0 1 223.295 2.048 20 0 BEADMN CC1(C)C[C@H](O)CN(Cc2ccccc2F)C1 ZINC000877752096 583346121 /nfs/dbraw/zinc/34/61/21/583346121.db2.gz CSKKXOJYRVWNEF-LBPRGKRZSA-N 0 1 237.318 2.419 20 0 BEADMN O=C1CCN1CN1CCC[C@@H](c2ccccc2)C1 ZINC000857236638 588899923 /nfs/dbraw/zinc/89/99/23/588899923.db2.gz GHHWAGKWFMTUNG-CQSZACIVSA-N 0 1 244.338 2.056 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877958804 583354134 /nfs/dbraw/zinc/35/41/34/583354134.db2.gz XJHILWSZQKXSLO-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CSC[C@H]1CCCN1Cc1nocc1C ZINC000878199960 583367648 /nfs/dbraw/zinc/36/76/48/583367648.db2.gz JESSANZHEDFHRO-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1conc1CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000878406778 583372306 /nfs/dbraw/zinc/37/23/06/583372306.db2.gz CUUXCHBOMDOZGS-QWHCGFSZSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ccccc1[C@H](C)NC(=O)CN1CCCC1 ZINC000726874554 583379899 /nfs/dbraw/zinc/37/98/99/583379899.db2.gz BPTKZGFIYAFHGE-ZDUSSCGKSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1cc(N)nc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC000894244869 583389164 /nfs/dbraw/zinc/38/91/64/583389164.db2.gz WVRWOIDYBQAVDR-GFCCVEGCSA-N 0 1 246.358 2.384 20 0 BEADMN Cc1cccc([C@H]2CCCN2CN2CCC2=O)c1 ZINC000857231382 588897355 /nfs/dbraw/zinc/89/73/55/588897355.db2.gz HDQYZDZCJZLXKI-CQSZACIVSA-N 0 1 244.338 2.322 20 0 BEADMN C[C@H]1C[C@H](c2ccccc2)CN1CN1CCC1=O ZINC000857232571 588897712 /nfs/dbraw/zinc/89/77/12/588897712.db2.gz FUKAFUSSZXBEKV-JSGCOSHPSA-N 0 1 244.338 2.054 20 0 BEADMN Cc1nc2c(s1)[C@@H](NCc1c[nH]cn1)CCC2 ZINC000894430996 583457404 /nfs/dbraw/zinc/45/74/04/583457404.db2.gz INQRTYLQGFUDFR-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN Cc1coc(CN2CCOCC3(CC3)C2)c1 ZINC000894436569 583459337 /nfs/dbraw/zinc/45/93/37/583459337.db2.gz HPWZWPGVIPXVSQ-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN Cc1ncoc1CNC[C@H]1CCC(C)(C)O1 ZINC000894503876 583473401 /nfs/dbraw/zinc/47/34/01/583473401.db2.gz MTXGVMWEXHVJSJ-SNVBAGLBSA-N 0 1 224.304 2.030 20 0 BEADMN CC[C@]1(O)CC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000894505216 583474348 /nfs/dbraw/zinc/47/43/48/583474348.db2.gz YQKQKAFHYVZNPY-LBPRGKRZSA-N 0 1 241.356 2.348 20 0 BEADMN CC[C@]1(O)CCN(Cc2ccc(SC)o2)C1 ZINC000894505216 583474350 /nfs/dbraw/zinc/47/43/50/583474350.db2.gz YQKQKAFHYVZNPY-LBPRGKRZSA-N 0 1 241.356 2.348 20 0 BEADMN CCSc1cc(CNCc2cnc[nH]2)ccn1 ZINC000894500713 583474558 /nfs/dbraw/zinc/47/45/58/583474558.db2.gz PSPCSXCQRWGGKE-UHFFFAOYSA-N 0 1 248.355 2.207 20 0 BEADMN C[C@@]1(Br)C[C@H]1CN1CC[C@H](F)C1 ZINC000894705229 583512239 /nfs/dbraw/zinc/51/22/39/583512239.db2.gz ALOBUJNSEKEGHQ-XHNCKOQMSA-N 0 1 236.128 2.204 20 0 BEADMN Cc1cc(N)nc(N2CCC[C@H](C3CCC3)C2)n1 ZINC000894607423 583492122 /nfs/dbraw/zinc/49/21/22/583492122.db2.gz QYCXWHHUOWKHMV-LBPRGKRZSA-N 0 1 246.358 2.384 20 0 BEADMN C[C@@H]1CN(Cc2cn3ccnc3s2)[C@@H]1C ZINC000894627820 583495330 /nfs/dbraw/zinc/49/53/30/583495330.db2.gz KXEGDAFJBUKGGA-RKDXNWHRSA-N 0 1 221.329 2.236 20 0 BEADMN CCn1cc(CN2C[C@@H](C)[C@H]2C)c(C)n1 ZINC000894627814 583495623 /nfs/dbraw/zinc/49/56/23/583495623.db2.gz KVNWOLQLGNLZRB-MWLCHTKSSA-N 0 1 207.321 2.052 20 0 BEADMN C[C@@H]1CN(Cc2ccc(O)c(F)c2)[C@H]1C ZINC000894627316 583495846 /nfs/dbraw/zinc/49/58/46/583495846.db2.gz FUPJXTUXZRZRNZ-BDAKNGLRSA-N 0 1 209.264 2.372 20 0 BEADMN COCCOc1ccc(CN2C[C@H](C)[C@H]2C)o1 ZINC000894628168 583497579 /nfs/dbraw/zinc/49/75/79/583497579.db2.gz NQYGJWPDTSXTAJ-WDEREUQCSA-N 0 1 239.315 2.145 20 0 BEADMN CC1(C)OC[C@H](CNc2cc3c(cn2)CCC3)O1 ZINC000894641855 583499444 /nfs/dbraw/zinc/49/94/44/583499444.db2.gz ILMUXQYVHXQCQQ-LBPRGKRZSA-N 0 1 248.326 2.134 20 0 BEADMN CSCCC[N@@H+](C)Cc1c(C)ccnc1N ZINC000894652267 583500959 /nfs/dbraw/zinc/50/09/59/583500959.db2.gz KBCKNPQIWAIZRQ-UHFFFAOYSA-N 0 1 239.388 2.157 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2[nH]nc(C)c2C)CCCO1 ZINC000894652409 583501455 /nfs/dbraw/zinc/50/14/55/583501455.db2.gz IAKYCTHFFSWEOD-LBPRGKRZSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1cc(CN[C@H](C)c2n[nH]c(C)n2)c(C)o1 ZINC000894772157 583516808 /nfs/dbraw/zinc/51/68/08/583516808.db2.gz GKFUHOMIFMBXTR-MRVPVSSYSA-N 0 1 234.303 2.174 20 0 BEADMN Cc1ncoc1CN[C@@H](C)[C@@H](O)c1ccccc1 ZINC000894785964 583521524 /nfs/dbraw/zinc/52/15/24/583521524.db2.gz BAISKRLREOQQRQ-SMDDNHRTSA-N 0 1 246.310 2.195 20 0 BEADMN Fc1cccc2c1N(Cc1cnc[nH]1)CC2 ZINC000894782599 583521552 /nfs/dbraw/zinc/52/15/52/583521552.db2.gz MGRXWMWBIJGYSX-UHFFFAOYSA-N 0 1 217.247 2.112 20 0 BEADMN FC[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000880299666 583526101 /nfs/dbraw/zinc/52/61/01/583526101.db2.gz XAQCFTYWUDIKEZ-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN COCCc1ncc(CN2C[C@H](C)[C@H]2C)s1 ZINC000894862196 583535273 /nfs/dbraw/zinc/53/52/73/583535273.db2.gz SZXTVBRIKQVOHY-VHSXEESVSA-N 0 1 240.372 2.172 20 0 BEADMN C[C@H]1CN(Cc2cnc(C3CC3)nc2)[C@H]1C ZINC000894861318 583536076 /nfs/dbraw/zinc/53/60/76/583536076.db2.gz DUPVJLOYYUPLII-UWVGGRQHSA-N 0 1 217.316 2.194 20 0 BEADMN CC(C)n1cncc1CN1C[C@@H](C)[C@@H]1C ZINC000894861541 583536354 /nfs/dbraw/zinc/53/63/54/583536354.db2.gz KMCJPESSXVIDKE-MNOVXSKESA-N 0 1 207.321 2.304 20 0 BEADMN CCc1nocc1CN(C)Cc1n[nH]c(C)c1C ZINC000894863546 583536378 /nfs/dbraw/zinc/53/63/78/583536378.db2.gz HUDVNHHWKYBQNP-UHFFFAOYSA-N 0 1 248.330 2.209 20 0 BEADMN CC(C)n1cncc1CN1C[C@@H](C)[C@H]1C ZINC000894861540 583536520 /nfs/dbraw/zinc/53/65/20/583536520.db2.gz KMCJPESSXVIDKE-GHMZBOCLSA-N 0 1 207.321 2.304 20 0 BEADMN OC[C@@H]1C=CCN1CCc1ccccc1Cl ZINC000880485597 583544009 /nfs/dbraw/zinc/54/40/09/583544009.db2.gz DVPUAZSBGVDKFL-LBPRGKRZSA-N 0 1 237.730 2.115 20 0 BEADMN Cc1ncc([C@@H](C)Nc2nc(C)cc(N)n2)s1 ZINC000894924666 583556579 /nfs/dbraw/zinc/55/65/79/583556579.db2.gz XVPTXZICIQXHHA-SSDOTTSWSA-N 0 1 249.343 2.305 20 0 BEADMN Cc1coc(CN2CC3(C2)CCOCC3)c1 ZINC000894977034 583563289 /nfs/dbraw/zinc/56/32/89/583563289.db2.gz RIGNAKFNKSALDU-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@H]2C2CCC2)s1 ZINC000895005780 583565816 /nfs/dbraw/zinc/56/58/16/583565816.db2.gz HWOSMIPTLBUEBH-QWRGUYRKSA-N 0 1 237.372 2.372 20 0 BEADMN c1cn(C2CC2)c(CN[C@@H]2C[C@H]2C2CCC2)n1 ZINC000895010005 583567652 /nfs/dbraw/zinc/56/76/52/583567652.db2.gz KBTOKSZWPICKRQ-QWHCGFSZSA-N 0 1 231.343 2.496 20 0 BEADMN Cc1coc(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000895053408 583574480 /nfs/dbraw/zinc/57/44/80/583574480.db2.gz IOJPDXDOPLWHLS-GFCCVEGCSA-N 0 1 246.314 2.017 20 0 BEADMN C[C@H]1C[C@@H]1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068469 583578837 /nfs/dbraw/zinc/57/88/37/583578837.db2.gz ASFFGKKXGNBCEY-WDEREUQCSA-N 0 1 231.343 2.303 20 0 BEADMN CC(C)CN1CCc2nc[nH]c2C12CCC2 ZINC000895068324 583578926 /nfs/dbraw/zinc/57/89/26/583578926.db2.gz UDQUVNOGNHIHAH-UHFFFAOYSA-N 0 1 219.332 2.303 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068467 583579007 /nfs/dbraw/zinc/57/90/07/583579007.db2.gz ASFFGKKXGNBCEY-MNOVXSKESA-N 0 1 231.343 2.303 20 0 BEADMN Fc1ccc(CCN2CCCOCC2)cc1F ZINC000334552787 583585956 /nfs/dbraw/zinc/58/59/56/583585956.db2.gz HYUXEIJZOCYKKH-UHFFFAOYSA-N 0 1 241.281 2.230 20 0 BEADMN COc1ccc(CNCc2ccc(CO)cc2)o1 ZINC000895097268 583588374 /nfs/dbraw/zinc/58/83/74/583588374.db2.gz MMQHICVIOQZXOY-UHFFFAOYSA-N 0 1 247.294 2.070 20 0 BEADMN Cc1ncoc1CN1CCC[C@H](OC(C)C)C1 ZINC000895135001 583601852 /nfs/dbraw/zinc/60/18/52/583601852.db2.gz OXPHWURAWMKJOJ-LBPRGKRZSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1[nH]nc(CN2C[C@@H](C)OCC23CCC3)c1C ZINC000895141443 583603333 /nfs/dbraw/zinc/60/33/33/583603333.db2.gz AJFPUMAIWYKFKS-SNVBAGLBSA-N 0 1 249.358 2.170 20 0 BEADMN CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000895146176 583604462 /nfs/dbraw/zinc/60/44/62/583604462.db2.gz CSOSHNOHOGCJRH-JLLWLGSASA-N 0 1 237.299 2.088 20 0 BEADMN Cc1n[nH]c(CN2CC[C@@]3(CC3(F)F)C2)c1C ZINC000895149432 583605631 /nfs/dbraw/zinc/60/56/31/583605631.db2.gz GYUXOTRGVZNKNS-LLVKDONJSA-N 0 1 241.285 2.258 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)CCCC(C)C ZINC000882495055 583618288 /nfs/dbraw/zinc/61/82/88/583618288.db2.gz WERUIFJRNKUKJC-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCC[C@H](C)O1 ZINC000895274890 583635203 /nfs/dbraw/zinc/63/52/03/583635203.db2.gz PBVNWCSQOMIHQV-ONGXEEELSA-N 0 1 224.304 2.030 20 0 BEADMN CC1=NO[C@H](CNCc2ccc(C)cc2F)C1 ZINC000895302693 583644736 /nfs/dbraw/zinc/64/47/36/583644736.db2.gz USJWVMWMVHVSHP-LBPRGKRZSA-N 0 1 236.290 2.389 20 0 BEADMN COc1ccc(CN(C)Cc2cnc[nH]2)c(C)c1 ZINC000895302617 583644925 /nfs/dbraw/zinc/64/49/25/583644925.db2.gz NFGYLIPNKKIAKP-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN CC1=NO[C@H](CNCc2ccc(C)c(F)c2)C1 ZINC000895311348 583647096 /nfs/dbraw/zinc/64/70/96/583647096.db2.gz PGBKQCDMYZTACT-LBPRGKRZSA-N 0 1 236.290 2.389 20 0 BEADMN COc1ccc(C)cc1CNC[C@H]1CC(C)=NO1 ZINC000895312083 583647341 /nfs/dbraw/zinc/64/73/41/583647341.db2.gz UABXZQHQUABVLB-CYBMUJFWSA-N 0 1 248.326 2.258 20 0 BEADMN CCOc1cccc(CNC[C@@H]2CC(C)=NO2)c1 ZINC000895312174 583647574 /nfs/dbraw/zinc/64/75/74/583647574.db2.gz VEVYBLPOQKOJOW-AWEZNQCLSA-N 0 1 248.326 2.340 20 0 BEADMN COCCOc1ccc(CN[C@H]2C=CCC2)o1 ZINC000895338953 583653336 /nfs/dbraw/zinc/65/33/36/583653336.db2.gz WIIXLNRNNVZNSL-NSHDSACASA-N 0 1 237.299 2.113 20 0 BEADMN CN(C)c1ccc(CNCc2ccoc2)cn1 ZINC000727466119 583655505 /nfs/dbraw/zinc/65/55/05/583655505.db2.gz WMCBSYXOZRLFQY-UHFFFAOYSA-N 0 1 231.299 2.030 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)o1 ZINC000895402548 583665359 /nfs/dbraw/zinc/66/53/59/583665359.db2.gz FWDSFQDJWWZMEB-MNOVXSKESA-N 0 1 239.315 2.288 20 0 BEADMN Cc1ncoc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000895403740 583667613 /nfs/dbraw/zinc/66/76/13/583667613.db2.gz VKYAOVZDNIOWQF-ZDUSSCGKSA-N 0 1 249.358 2.090 20 0 BEADMN CCCCCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895430634 583669659 /nfs/dbraw/zinc/66/96/59/583669659.db2.gz FMHOSFGVJRQFCA-NSHDSACASA-N 0 1 226.364 2.166 20 0 BEADMN c1cc2c(cn1)CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000857881087 588920141 /nfs/dbraw/zinc/92/01/41/588920141.db2.gz BJYOHHRLIOWKTA-LMKPVCQUSA-N 0 1 214.312 2.443 20 0 BEADMN CCC[C@@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895448121 583676022 /nfs/dbraw/zinc/67/60/22/583676022.db2.gz YLFLPSBBBWMRBG-MNOVXSKESA-N 0 1 226.364 2.164 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000895450993 583676683 /nfs/dbraw/zinc/67/66/83/583676683.db2.gz DPZFVPZYASHDQS-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN COC(=O)CC(C)(C)CNc1cccc(C)n1 ZINC000895506631 583681557 /nfs/dbraw/zinc/68/15/57/583681557.db2.gz RRAREUFDJQAISP-UHFFFAOYSA-N 0 1 236.315 2.391 20 0 BEADMN c1cc(CNCC2(CC3CC3)CC2)no1 ZINC000895530516 583685143 /nfs/dbraw/zinc/68/51/43/583685143.db2.gz CFJLTTQKMAUADV-UHFFFAOYSA-N 0 1 206.289 2.345 20 0 BEADMN CCC[C@H](C)CCNCc1csnn1 ZINC000895531908 583685736 /nfs/dbraw/zinc/68/57/36/583685736.db2.gz KARVFBROWLFLJJ-VIFPVBQESA-N 0 1 213.350 2.454 20 0 BEADMN FC1(F)CCC[C@@H]1CCNCc1csnn1 ZINC000895545187 583689156 /nfs/dbraw/zinc/68/91/56/583689156.db2.gz PSMGAJIHHNEORW-MRVPVSSYSA-N 0 1 247.314 2.453 20 0 BEADMN Cc1c(CN2CCC(F)CC2)ccnc1F ZINC000895546849 583690340 /nfs/dbraw/zinc/69/03/40/583690340.db2.gz WDTMZWMCKCAESJ-UHFFFAOYSA-N 0 1 226.270 2.463 20 0 BEADMN FC[C@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000895572565 583692202 /nfs/dbraw/zinc/69/22/02/583692202.db2.gz IYILMSKPHVTGGC-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN CCC(C)(C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895585710 583694269 /nfs/dbraw/zinc/69/42/69/583694269.db2.gz NVBRRANEDPQHFW-JTQLQIEISA-N 0 1 226.364 2.164 20 0 BEADMN CCOc1ccc(CN[C@@H]2C[C@]2(C)OCC)o1 ZINC000895597204 583695637 /nfs/dbraw/zinc/69/56/37/583695637.db2.gz GPVXVPHDZVTSFM-YPMHNXCESA-N 0 1 239.315 2.335 20 0 BEADMN CC(C)([NH2+]Cc1c[nH]cn1)[C@H](O)c1ccccc1 ZINC000895663628 583702580 /nfs/dbraw/zinc/70/25/80/583702580.db2.gz ZGCQKBOKNZYNPU-CYBMUJFWSA-N 0 1 245.326 2.012 20 0 BEADMN CCN(CC(C)C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895666223 583705683 /nfs/dbraw/zinc/70/56/83/583705683.db2.gz XHJSPXUNNZSJCT-GFCCVEGCSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1cnc(CNC2CCC3(COC3)CC2)o1 ZINC000895695150 583707567 /nfs/dbraw/zinc/70/75/67/583707567.db2.gz SJWDTJONWLHZHL-UHFFFAOYSA-N 0 1 236.315 2.032 20 0 BEADMN CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895702191 583709773 /nfs/dbraw/zinc/70/97/73/583709773.db2.gz JHTGSICMNZTMCA-VXGBXAGGSA-N 0 1 240.391 2.362 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)NCC3CCC3)c2C1 ZINC000895695436 583710212 /nfs/dbraw/zinc/71/02/12/583710212.db2.gz WHKLBCKYRSTUKQ-VIFPVBQESA-N 0 1 247.342 2.064 20 0 BEADMN FC(F)c1noc(CNC2CCCC2)n1 ZINC000895727956 583713496 /nfs/dbraw/zinc/71/34/96/583713496.db2.gz YBUKTQXPPRLFJC-UHFFFAOYSA-N 0 1 217.219 2.039 20 0 BEADMN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ncco1 ZINC000895766367 583719417 /nfs/dbraw/zinc/71/94/17/583719417.db2.gz SGECZROOZNSUTI-MMWGEVLESA-N 0 1 236.315 2.139 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccnn2C)cnc1F ZINC000895860650 583736282 /nfs/dbraw/zinc/73/62/82/583736282.db2.gz BESDTSYYQQTLJO-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN C[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000895869618 583738459 /nfs/dbraw/zinc/73/84/59/583738459.db2.gz GIEKXGNHWPMPMW-ZYHUDNBSSA-N 0 1 238.375 2.022 20 0 BEADMN CC(C)Cn1nccc1CN(C)CCCF ZINC000895896528 583743698 /nfs/dbraw/zinc/74/36/98/583743698.db2.gz WRJIKMRHBGXGTR-UHFFFAOYSA-N 0 1 227.327 2.331 20 0 BEADMN CC(C)n1cncc1CN(C)CCCF ZINC000895896471 583743926 /nfs/dbraw/zinc/74/39/26/583743926.db2.gz VFHSETAHVVROME-UHFFFAOYSA-N 0 1 213.300 2.255 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2cc(C)ns2)C1 ZINC000895926701 583748551 /nfs/dbraw/zinc/74/85/51/583748551.db2.gz JPFWHKYGDNUXGA-QWRGUYRKSA-N 0 1 240.372 2.451 20 0 BEADMN CC(C)OC1CN(C[C@]2(C)CCCS2)C1 ZINC000895955611 583752717 /nfs/dbraw/zinc/75/27/17/583752717.db2.gz TYUOGQGIIKOXKI-LBPRGKRZSA-N 0 1 229.389 2.381 20 0 BEADMN CC(C)OC1CN(C[C@@]2(C)CCCS2)C1 ZINC000895955610 583752792 /nfs/dbraw/zinc/75/27/92/583752792.db2.gz TYUOGQGIIKOXKI-GFCCVEGCSA-N 0 1 229.389 2.381 20 0 BEADMN COCC1CN(Cc2cc3ccccc3[nH]2)C1 ZINC000895969872 583755659 /nfs/dbraw/zinc/75/56/59/583755659.db2.gz PKCVCLLFBFPVHU-UHFFFAOYSA-N 0 1 230.311 2.246 20 0 BEADMN COCC1CN(C/C=C\c2ccc(F)cc2)C1 ZINC000895971940 583756112 /nfs/dbraw/zinc/75/61/12/583756112.db2.gz YEQDJRNXKNWDPY-IHWYPQMZSA-N 0 1 235.302 2.417 20 0 BEADMN COCCOc1ccc(CN(C)CCCF)o1 ZINC000896070422 583767887 /nfs/dbraw/zinc/76/78/87/583767887.db2.gz VADSDQSSGAEVAU-UHFFFAOYSA-N 0 1 245.294 2.096 20 0 BEADMN CN(CCCF)Cc1cnn(CC2CCC2)c1 ZINC000896069176 583767903 /nfs/dbraw/zinc/76/79/03/583767903.db2.gz AQSLEKHIGVCNGJ-UHFFFAOYSA-N 0 1 239.338 2.475 20 0 BEADMN CC[C@H]1CCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000896132232 583774193 /nfs/dbraw/zinc/77/41/93/583774193.db2.gz LTTBSSTXKSTEON-NWDGAFQWSA-N 0 1 238.375 2.260 20 0 BEADMN CC[C@H]1CCCN1Cn1c2ccccc2oc1=O ZINC000727822899 583779074 /nfs/dbraw/zinc/77/90/74/583779074.db2.gz FCRMGVFJBGFLSV-NSHDSACASA-N 0 1 246.310 2.426 20 0 BEADMN CCC[C@H](O)CCNc1cc(C)ccn1 ZINC000896187937 583781607 /nfs/dbraw/zinc/78/16/07/583781607.db2.gz WMPQPGPCWGLRPO-NSHDSACASA-N 0 1 208.305 2.353 20 0 BEADMN C[C@H]1C[C@H](Nc2ncnc3[nH]cnc32)CCS1 ZINC000896244231 583784293 /nfs/dbraw/zinc/78/42/93/583784293.db2.gz GJYICEQLOVLUFB-JGVFFNPUSA-N 0 1 249.343 2.049 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896290700 583790155 /nfs/dbraw/zinc/79/01/55/583790155.db2.gz PTWIMRRJSCHSAZ-SECBINFHSA-N 0 1 246.314 2.076 20 0 BEADMN CCN(CC1CC1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896312112 583790679 /nfs/dbraw/zinc/79/06/79/583790679.db2.gz LTKCCDVSDHKQCK-LBPRGKRZSA-N 0 1 238.375 2.118 20 0 BEADMN Cn1ccc([C@H]2CCCN(CC3(F)CC3)C2)n1 ZINC000896487764 583804399 /nfs/dbraw/zinc/80/43/99/583804399.db2.gz CHXGCXIYCORIPJ-NSHDSACASA-N 0 1 237.322 2.102 20 0 BEADMN COc1ccsc1CN1CCO[C@H](C)CC1 ZINC000896585776 583815585 /nfs/dbraw/zinc/81/55/85/583815585.db2.gz VQYHRWLIGXZZFP-SNVBAGLBSA-N 0 1 241.356 2.368 20 0 BEADMN c1cnc([C@@H](NC[C@@H]2CCC=CO2)C2CC2)nc1 ZINC000896599383 583816726 /nfs/dbraw/zinc/81/67/26/583816726.db2.gz QWTBQFFHXCRPNE-STQMWFEESA-N 0 1 245.326 2.210 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)[C@@H]1C ZINC000896837771 583839026 /nfs/dbraw/zinc/83/90/26/583839026.db2.gz JNUUEXJIYIHTMC-UTUOFQBUSA-N 0 1 238.375 2.116 20 0 BEADMN CCC1(CNC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000896866686 583842526 /nfs/dbraw/zinc/84/25/26/583842526.db2.gz PFIROAKSRQQFIK-NSHDSACASA-N 0 1 238.375 2.166 20 0 BEADMN CCC/C(C)=C/C(=O)NCc1cn[nH]c1C ZINC000728190927 583850864 /nfs/dbraw/zinc/85/08/64/583850864.db2.gz RLPNGZJMRITDHD-RMKNXTFCSA-N 0 1 221.304 2.081 20 0 BEADMN FC1(C2CC2)CCN(Cc2cnccn2)CC1 ZINC000896945706 583863155 /nfs/dbraw/zinc/86/31/55/583863155.db2.gz HQWNDUFXNBXOIH-UHFFFAOYSA-N 0 1 235.306 2.191 20 0 BEADMN CCO[C@H]1CCN(Cc2cnc(F)c(C)c2)C1 ZINC000897061877 583874875 /nfs/dbraw/zinc/87/48/75/583874875.db2.gz NTOCTLAXUXETFX-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCO[C@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC000897062179 583876499 /nfs/dbraw/zinc/87/64/99/583876499.db2.gz QRSGUGQNCRKHBO-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN CCO[C@H]1CCN(Cc2cc(C)ns2)C1 ZINC000897066938 583876790 /nfs/dbraw/zinc/87/67/90/583876790.db2.gz CLIXDUFGTNFJFC-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)NC3(C)CCC3)c2C1 ZINC000897214973 583895891 /nfs/dbraw/zinc/89/58/91/583895891.db2.gz JACFXDHRMIIQIW-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN S=c1ncccn1CN1CCC[C@H]1C1CC1 ZINC000728559739 583897289 /nfs/dbraw/zinc/89/72/89/583897289.db2.gz HQUDMHONWNTCDE-NSHDSACASA-N 0 1 235.356 2.444 20 0 BEADMN Cc1csc(CN[C@@H](CO)CCC(C)C)n1 ZINC000858241446 588940321 /nfs/dbraw/zinc/94/03/21/588940321.db2.gz TWXIRIUPCDQKOD-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN C(N[C@@H]1CC[C@H]1C1CC1)c1noc2c1COCC2 ZINC000897365232 583942723 /nfs/dbraw/zinc/94/27/23/583942723.db2.gz CHLDPMQKDRAKMV-CMPLNLGQSA-N 0 1 248.326 2.026 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc(O)c1F ZINC000872082675 583945631 /nfs/dbraw/zinc/94/56/31/583945631.db2.gz ZLYIZBQBHWQAKV-UTLUCORTSA-N 0 1 239.290 2.359 20 0 BEADMN COc1ccc(CN[C@]23C[C@H]2COC32CCC2)o1 ZINC000897387741 583947559 /nfs/dbraw/zinc/94/75/59/583947559.db2.gz IKYRHFQLASIEHX-IINYFYTJSA-N 0 1 249.310 2.089 20 0 BEADMN C/C=C\COC(=O)c1cccc2[nH]ncc21 ZINC000729076257 583952141 /nfs/dbraw/zinc/95/21/41/583952141.db2.gz OMBHOMDVEGUQTB-IHWYPQMZSA-N 0 1 216.240 2.296 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)c1cccc2[nH]ncc21 ZINC000729089486 583955029 /nfs/dbraw/zinc/95/50/29/583955029.db2.gz GFCBWKSYNJFZQI-RKDXNWHRSA-N 0 1 230.267 2.376 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)c1cccc2[nH]ncc21 ZINC000729089484 583955136 /nfs/dbraw/zinc/95/51/36/583955136.db2.gz GFCBWKSYNJFZQI-IUCAKERBSA-N 0 1 230.267 2.376 20 0 BEADMN C[C@H]1C[C@H]1CON=C(N)CN1CCCCCC1 ZINC000863456918 583991868 /nfs/dbraw/zinc/99/18/68/583991868.db2.gz OBKDTXNROBSLGO-RYUDHWBXSA-N 0 1 239.363 2.017 20 0 BEADMN CC(C)=CCCNC(=O)c1cncc2nc[nH]c21 ZINC000897546900 584015983 /nfs/dbraw/zinc/01/59/83/584015983.db2.gz HXBHZGHLUBPWLO-UHFFFAOYSA-N 0 1 244.298 2.044 20 0 BEADMN CCn1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)nn1 ZINC000897683719 584040042 /nfs/dbraw/zinc/04/00/42/584040042.db2.gz RMTFRXMCQVFUDS-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN CCn1cc(CN(C)[C@H]2CCCC[C@H]2C)nn1 ZINC000897683719 584040043 /nfs/dbraw/zinc/04/00/43/584040043.db2.gz RMTFRXMCQVFUDS-YPMHNXCESA-N 0 1 236.363 2.309 20 0 BEADMN CCC1(C)CN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000897808005 584050065 /nfs/dbraw/zinc/05/00/65/584050065.db2.gz HFPIDKNBLHAYEJ-LLVKDONJSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1noc(C2(NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)n1 ZINC000897895977 584058290 /nfs/dbraw/zinc/05/82/90/584058290.db2.gz MCIIGAGEFDZTLW-UTUOFQBUSA-N 0 1 247.342 2.393 20 0 BEADMN C[C@H](NCc1cnc(N)s1)c1cncs1 ZINC000897935139 584061855 /nfs/dbraw/zinc/06/18/55/584061855.db2.gz TWJNWEMGTLDQSZ-LURJTMIESA-N 0 1 240.357 2.033 20 0 BEADMN CC(C)n1ncnc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897959854 584067521 /nfs/dbraw/zinc/06/75/21/584067521.db2.gz WZHUURCJDWMRTO-GRYCIOLGSA-N 0 1 234.347 2.137 20 0 BEADMN Cc1ncoc1CNC[C@@H]1CCCC(C)(C)O1 ZINC000898047412 584073646 /nfs/dbraw/zinc/07/36/46/584073646.db2.gz ZMSQRVADIMNJKM-NSHDSACASA-N 0 1 238.331 2.420 20 0 BEADMN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1cnccn1 ZINC000898047049 584073952 /nfs/dbraw/zinc/07/39/52/584073952.db2.gz QDOJKOQCKRKJMS-NEPJUHHUSA-N 0 1 249.358 2.475 20 0 BEADMN Cn1cc(CN2C[C@@H]3CCC[C@@H]3C2)c(Cl)n1 ZINC000898071474 584082627 /nfs/dbraw/zinc/08/26/27/584082627.db2.gz LKVNXIUDUXJYKN-AOOOYVTPSA-N 0 1 239.750 2.305 20 0 BEADMN Cc1ccc(CNCc2ccc(CCO)cc2)o1 ZINC000898172749 584088855 /nfs/dbraw/zinc/08/88/55/584088855.db2.gz XTEVCKGNFGILJC-UHFFFAOYSA-N 0 1 245.322 2.413 20 0 BEADMN CC(C)CCCCN1CC[C@H](O)[C@@H](F)C1 ZINC000898189247 584095090 /nfs/dbraw/zinc/09/50/90/584095090.db2.gz RRTORARZQUMUPQ-RYUDHWBXSA-N 0 1 217.328 2.217 20 0 BEADMN Cc1cccc(CN2CC[C@@H](O)[C@H](F)C2)c1C ZINC000898194821 584096143 /nfs/dbraw/zinc/09/61/43/584096143.db2.gz PJNGLTFYQPMVGJ-ZIAGYGMSSA-N 0 1 237.318 2.208 20 0 BEADMN Clc1csc(N2CCc3cn[nH]c3C2)n1 ZINC000858455148 588956598 /nfs/dbraw/zinc/95/65/98/588956598.db2.gz SLLBWSUIACYIQQ-UHFFFAOYSA-N 0 1 240.719 2.082 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000898272990 584104714 /nfs/dbraw/zinc/10/47/14/584104714.db2.gz NTJZHBPOZWRIGK-LLVKDONJSA-N 0 1 240.391 2.410 20 0 BEADMN c1cc([C@@H](NCc2cncnc2)C2CC2)ccn1 ZINC000898325174 584107348 /nfs/dbraw/zinc/10/73/48/584107348.db2.gz NKMQWFBCWYKSHE-AWEZNQCLSA-N 0 1 240.310 2.113 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000898295350 584108253 /nfs/dbraw/zinc/10/82/53/584108253.db2.gz WLNYZSLKOAXSPO-GHMZBOCLSA-N 0 1 240.391 2.410 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)cs1 ZINC000858464370 588957540 /nfs/dbraw/zinc/95/75/40/588957540.db2.gz LDXZIIPCJPUNKH-JGVFFNPUSA-N 0 1 245.779 2.325 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2COC[C@@H]2C2CC2)n1 ZINC000898375821 584113367 /nfs/dbraw/zinc/11/33/67/584113367.db2.gz HWFINWGIKSURNH-YPMHNXCESA-N 0 1 249.358 2.048 20 0 BEADMN CCCN(C(=O)c1c[nH]cc2ncnc1-2)C(C)C ZINC000898435522 584135801 /nfs/dbraw/zinc/13/58/01/584135801.db2.gz BVPQWVGWKBEOTK-UHFFFAOYSA-N 0 1 246.314 2.219 20 0 BEADMN CCn1nc(C)c(CNC/C=C\Cl)c1C ZINC000898436581 584136298 /nfs/dbraw/zinc/13/62/98/584136298.db2.gz UENHHISMPKRZRM-WAYWQWQTSA-N 0 1 227.739 2.362 20 0 BEADMN Fc1cccc(OCCCNCc2cc[nH]n2)c1 ZINC000898445791 584136680 /nfs/dbraw/zinc/13/66/80/584136680.db2.gz NQIYGZKPNWSZLQ-UHFFFAOYSA-N 0 1 249.289 2.108 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC(C)(C)C1CC1 ZINC000898463300 584138868 /nfs/dbraw/zinc/13/88/68/584138868.db2.gz XSMVBSHKBWLFDE-NSHDSACASA-N 0 1 238.375 2.164 20 0 BEADMN O=C(NOc1ccc(F)cc1)C1CC(F)(F)C1 ZINC000898573927 584142414 /nfs/dbraw/zinc/14/24/14/584142414.db2.gz YSHLGHPSGRXUSP-UHFFFAOYSA-N 0 1 245.200 2.281 20 0 BEADMN O=C(NOc1ccc(F)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000898573503 584142491 /nfs/dbraw/zinc/14/24/91/584142491.db2.gz NKHJZPDQFIJVRW-GDNZZTSVSA-N 0 1 235.258 2.282 20 0 BEADMN CCCC(C)(C)C(=O)N1CC(N2CCCC2)C1 ZINC000898598938 584144295 /nfs/dbraw/zinc/14/42/95/584144295.db2.gz HGVOCXOVTJUZPT-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CC=C(C(=O)N2CC(N3CCCC3)C2)CC1 ZINC000898600861 584145516 /nfs/dbraw/zinc/14/55/16/584145516.db2.gz GWEVIVXTTNBZQU-GFCCVEGCSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@@]1(C(=O)N2CC(N3CCCC3)C2)CC=CCC1 ZINC000898600921 584145771 /nfs/dbraw/zinc/14/57/71/584145771.db2.gz HKYHLEVPCYYVTG-OAHLLOKOSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c1C ZINC000899410800 584213369 /nfs/dbraw/zinc/21/33/69/584213369.db2.gz DGSOXGVSIXTGTQ-BVALORAHSA-N 0 1 247.342 2.048 20 0 BEADMN Cc1cnc(-c2nc([C@H]3CCCN3)no2)cc1C ZINC000900010901 584266284 /nfs/dbraw/zinc/26/62/84/584266284.db2.gz YUCNGYSNCXEBLQ-SNVBAGLBSA-N 0 1 244.298 2.173 20 0 BEADMN CCN(C(=O)Cc1c[nH]cn1)C1CCCCC1 ZINC000900118246 584274658 /nfs/dbraw/zinc/27/46/58/584274658.db2.gz MVGVIJMGOOBISB-UHFFFAOYSA-N 0 1 235.331 2.133 20 0 BEADMN CCCCC[C@@H](C)NC(=O)c1[nH]ncc1F ZINC000900110479 584276402 /nfs/dbraw/zinc/27/64/02/584276402.db2.gz FUIOGWUHTOOPNI-MRVPVSSYSA-N 0 1 227.283 2.247 20 0 BEADMN CN(Cc1cnc[nH]1)c1nc(Cl)cs1 ZINC000858621134 588971548 /nfs/dbraw/zinc/97/15/48/588971548.db2.gz STWDKKDIMDNAOA-UHFFFAOYSA-N 0 1 228.708 2.156 20 0 BEADMN CCCn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900485873 584316341 /nfs/dbraw/zinc/31/63/41/584316341.db2.gz DGHVNPOOUVJTJZ-UHFFFAOYSA-N 0 1 224.352 2.307 20 0 BEADMN CC(C)(C)CCCCNC(=O)Cc1cnc[nH]1 ZINC000900575779 584327420 /nfs/dbraw/zinc/32/74/20/584327420.db2.gz HWYHNTJFGXKNEA-UHFFFAOYSA-N 0 1 237.347 2.285 20 0 BEADMN CC[C@H](C)[C@@H](C)N(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000900588191 584328928 /nfs/dbraw/zinc/32/89/28/584328928.db2.gz MXEFYEAAPYPUBM-WDEREUQCSA-N 0 1 249.358 2.378 20 0 BEADMN CC(C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900721819 584345048 /nfs/dbraw/zinc/34/50/48/584345048.db2.gz OMBNMEDLTAGNAF-GFCCVEGCSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H]1CCC[C@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC000900733161 584346901 /nfs/dbraw/zinc/34/69/01/584346901.db2.gz ZCRWBOPIZFXDFF-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000900771790 584349396 /nfs/dbraw/zinc/34/93/96/584349396.db2.gz DFSCOIFZNFUKDV-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)Cc1cnc[nH]1 ZINC000900765340 584353735 /nfs/dbraw/zinc/35/37/35/584353735.db2.gz VYCYOOWAQGSQBK-SNVBAGLBSA-N 0 1 237.347 2.283 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000900870519 584363847 /nfs/dbraw/zinc/36/38/47/584363847.db2.gz UEONNFVSYXSHFM-AAEUAGOBSA-N 0 1 249.358 2.379 20 0 BEADMN CCC(C)=C(C)C(=O)NCc1nc(C)c(C)[nH]1 ZINC000900997139 584375048 /nfs/dbraw/zinc/37/50/48/584375048.db2.gz JVOPHSCKCLFOFI-HJWRWDBZSA-N 0 1 235.331 2.389 20 0 BEADMN CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901116301 584385919 /nfs/dbraw/zinc/38/59/19/584385919.db2.gz CNWCWENLMMTZSY-DGCLKSJQSA-N 0 1 249.358 2.379 20 0 BEADMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000901116305 584386446 /nfs/dbraw/zinc/38/64/46/584386446.db2.gz CNWCWENLMMTZSY-YPMHNXCESA-N 0 1 249.358 2.379 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1c(C)n[nH]c1Cl ZINC000901118704 584386620 /nfs/dbraw/zinc/38/66/20/584386620.db2.gz SZCZEQFOYJYIHF-LURJTMIESA-N 0 1 245.710 2.174 20 0 BEADMN CC(Cl)=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000901106098 584388666 /nfs/dbraw/zinc/38/86/66/584388666.db2.gz KVASUPZMCFKLPP-VPIOIWJLSA-N 0 1 239.706 2.046 20 0 BEADMN O=C(N[C@H]1CC12CCCCC2)c1[nH]ncc1F ZINC000901302941 584419359 /nfs/dbraw/zinc/41/93/59/584419359.db2.gz KJULZCNOEVZGLL-VIFPVBQESA-N 0 1 237.278 2.001 20 0 BEADMN Cc1cccc(O)c1NC(=O)CN(C)C1CCC1 ZINC000901293939 584423173 /nfs/dbraw/zinc/42/31/73/584423173.db2.gz NXSVTDVKSFXKEM-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN C[C@@H](CSC(C)(C)C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901453528 584443548 /nfs/dbraw/zinc/44/35/48/584443548.db2.gz OLZPQHUTVCYNKR-VHSXEESVSA-N 0 1 245.388 2.456 20 0 BEADMN CSc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000901453465 584443627 /nfs/dbraw/zinc/44/36/27/584443627.db2.gz MQDQBSUAPWNEKN-SECBINFHSA-N 0 1 241.312 2.051 20 0 BEADMN CSc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000901453465 584443628 /nfs/dbraw/zinc/44/36/28/584443628.db2.gz MQDQBSUAPWNEKN-SECBINFHSA-N 0 1 241.312 2.051 20 0 BEADMN C[C@@H](CCc1ccco1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901447520 584447314 /nfs/dbraw/zinc/44/73/14/584447314.db2.gz BFKVKLPPLXYPIS-CMPLNLGQSA-N 0 1 237.299 2.150 20 0 BEADMN CC1(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)CCCC1 ZINC000901520648 584458103 /nfs/dbraw/zinc/45/81/03/584458103.db2.gz YGQRYJIICVFLHX-GFCCVEGCSA-N 0 1 229.295 2.065 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1CCSC1 ZINC000901593552 584465763 /nfs/dbraw/zinc/46/57/63/584465763.db2.gz QWSVWJRLMYKEJP-LLVKDONJSA-N 0 1 245.388 2.172 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H]1CCC=CO1 ZINC000901595192 584466408 /nfs/dbraw/zinc/46/64/08/584466408.db2.gz KSPNFGSGCKPYTH-GFCCVEGCSA-N 0 1 241.331 2.112 20 0 BEADMN CC[C@@H](C)[C@H](C[N@H+](CC(=O)[O-])CC(C)C)OC ZINC000901585848 584467813 /nfs/dbraw/zinc/46/78/13/584467813.db2.gz AOTWGLUMKIPYMU-NEPJUHHUSA-N 0 1 245.363 2.090 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000901597090 584467968 /nfs/dbraw/zinc/46/79/68/584467968.db2.gz FWBTWRULCOWQRX-JTQLQIEISA-N 0 1 246.310 2.320 20 0 BEADMN CCC[N@H+](CC(=O)[O-])Cc1ccc(SC)o1 ZINC000901605117 584468918 /nfs/dbraw/zinc/46/89/18/584468918.db2.gz ICBPOKFQMMCYCY-UHFFFAOYSA-N 0 1 243.328 2.298 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(SC)o1 ZINC000901605117 584468920 /nfs/dbraw/zinc/46/89/20/584468920.db2.gz ICBPOKFQMMCYCY-UHFFFAOYSA-N 0 1 243.328 2.298 20 0 BEADMN Cc1occc1C[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000901656820 584476657 /nfs/dbraw/zinc/47/66/57/584476657.db2.gz OPNGAGHYGHSDIE-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN COC[C@H](SCc1c[nH]nn1)c1ccccc1 ZINC000901665876 584476957 /nfs/dbraw/zinc/47/69/57/584476957.db2.gz ZAZSYLVTQBQDOM-LBPRGKRZSA-N 0 1 249.339 2.426 20 0 BEADMN O=C([O-])c1cccc2c1CC[N@H+](CC1(F)CC1)C2 ZINC000901744558 584489965 /nfs/dbraw/zinc/48/99/65/584489965.db2.gz IAEUVCNWNNNKGN-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN O=C([O-])c1cccc2c1CC[N@@H+](CC1(F)CC1)C2 ZINC000901744558 584489966 /nfs/dbraw/zinc/48/99/66/584489966.db2.gz IAEUVCNWNNNKGN-UHFFFAOYSA-N 0 1 249.285 2.245 20 0 BEADMN CC[C@H](C)C[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000901913622 584503304 /nfs/dbraw/zinc/50/33/04/584503304.db2.gz CCAGMOWZEWUWCL-GXFFZTMASA-N 0 1 243.322 2.311 20 0 BEADMN CCC(CC)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901905553 584505452 /nfs/dbraw/zinc/50/54/52/584505452.db2.gz YNXYYEGLMASDNR-QWHCGFSZSA-N 0 1 239.359 2.465 20 0 BEADMN Cc1cc(C)cc(CC[N@@H+](CC(=O)[O-])C2CC2)c1 ZINC000901970612 584509017 /nfs/dbraw/zinc/50/90/17/584509017.db2.gz BFLIEXSPHDGZIS-UHFFFAOYSA-N 0 1 247.338 2.395 20 0 BEADMN Cc1scc(C[N@H+](C)[C@H](C)C(=O)[O-])c1C ZINC000901981039 584511623 /nfs/dbraw/zinc/51/16/23/584511623.db2.gz VLDZPBVXGSNWTH-MRVPVSSYSA-N 0 1 227.329 2.270 20 0 BEADMN Cc1occc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000902017765 584513866 /nfs/dbraw/zinc/51/38/66/584513866.db2.gz QSAIVEQKVBAAFY-SKDRFNHKSA-N 0 1 237.299 2.273 20 0 BEADMN CC(C)(C)C1CCN(CN2CCOC2=O)CC1 ZINC000902136029 584526090 /nfs/dbraw/zinc/52/60/90/584526090.db2.gz VFEAZIVPJKPZGW-UHFFFAOYSA-N 0 1 240.347 2.154 20 0 BEADMN CC[C@H]1CCN(CN2Cc3ccccc3C2=O)C1 ZINC000902182757 584533287 /nfs/dbraw/zinc/53/32/87/584533287.db2.gz BMXNXVBBCOSSAJ-LBPRGKRZSA-N 0 1 244.338 2.332 20 0 BEADMN CCC(N)=NOC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902219271 584539312 /nfs/dbraw/zinc/53/93/12/584539312.db2.gz QYEXXUGDMYVOKA-RNLVFQAGSA-N 0 1 218.247 2.186 20 0 BEADMN CCCC[C@H](COC)NCc1cn(CC)cn1 ZINC000902257511 584544633 /nfs/dbraw/zinc/54/46/33/584544633.db2.gz YNTKREDJPGEIEQ-GFCCVEGCSA-N 0 1 239.363 2.198 20 0 BEADMN CCc1cc(CNCc2ccccc2NC)[nH]n1 ZINC000902242867 584545612 /nfs/dbraw/zinc/54/56/12/584545612.db2.gz GFNKRVQRMCHORH-UHFFFAOYSA-N 0 1 244.342 2.304 20 0 BEADMN CCc1cc(CNCc2ccccc2NC)n[nH]1 ZINC000902242867 584545613 /nfs/dbraw/zinc/54/56/13/584545613.db2.gz GFNKRVQRMCHORH-UHFFFAOYSA-N 0 1 244.342 2.304 20 0 BEADMN Cc1[nH]ncc1CNc1cnc(C(C)C)nc1 ZINC000902246078 584546269 /nfs/dbraw/zinc/54/62/69/584546269.db2.gz CRIUUXVFCHEJBG-UHFFFAOYSA-N 0 1 231.303 2.244 20 0 BEADMN CCCC(N)=NOC[C@@H](COC)C(C)C ZINC000902245773 584546435 /nfs/dbraw/zinc/54/64/35/584546435.db2.gz PSKVFTLFBOHYOB-SNVBAGLBSA-N 0 1 216.325 2.204 20 0 BEADMN COCC[C@H](C)SCc1[nH]ncc1C ZINC000902338998 584556531 /nfs/dbraw/zinc/55/65/31/584556531.db2.gz CHLXQAWSCBITOB-VIFPVBQESA-N 0 1 214.334 2.376 20 0 BEADMN C/C=C\C[C@H]1CCCN(CN2CCOC2=O)C1 ZINC000902346789 584558979 /nfs/dbraw/zinc/55/89/79/584558979.db2.gz QSEZGXFOQUTNQS-DLGQBQFBSA-N 0 1 238.331 2.074 20 0 BEADMN Cc1cn[nH]c1CSCC1CCOCC1 ZINC000902327850 584561149 /nfs/dbraw/zinc/56/11/49/584561149.db2.gz XPLQDMZMKCQTGT-UHFFFAOYSA-N 0 1 226.345 2.378 20 0 BEADMN Cc1nc2c(n1C[C@H]1C[C@]13CCOC3)CCCC2 ZINC000902421858 584592866 /nfs/dbraw/zinc/59/28/66/584592866.db2.gz IWZGAPWTNKVXEU-DOMZBBRYSA-N 0 1 246.354 2.497 20 0 BEADMN O=C([O-])/C=C/c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000902434502 584595919 /nfs/dbraw/zinc/59/59/19/584595919.db2.gz YMJUFZMFINFSPL-YIZUVKHSSA-N 0 1 247.294 2.219 20 0 BEADMN C[N@H+](Cc1cccc(C(=O)[O-])n1)C[C@H]1CC1(C)C ZINC000902452005 584607436 /nfs/dbraw/zinc/60/74/36/584607436.db2.gz GGZCWRIHTIXTHC-SNVBAGLBSA-N 0 1 248.326 2.258 20 0 BEADMN CCc1oc(C[N@@H+](C)C2CC2)cc1C(=O)[O-] ZINC000902510650 584623235 /nfs/dbraw/zinc/62/32/35/584623235.db2.gz YRPGXZRJEQLTTE-UHFFFAOYSA-N 0 1 223.272 2.134 20 0 BEADMN C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)C1CCC1 ZINC000902518648 584630802 /nfs/dbraw/zinc/63/08/02/584630802.db2.gz PHDOZMBCFQUQRS-FPLPWBNLSA-N 0 1 235.283 2.362 20 0 BEADMN CCn1cnc(CNCC2=CCCCC2)c1 ZINC000902578975 584638246 /nfs/dbraw/zinc/63/82/46/584638246.db2.gz YYWQZZKDLQCHFV-UHFFFAOYSA-N 0 1 219.332 2.493 20 0 BEADMN CCC[C@H](CNCc1cn(CC)cn1)OCC ZINC000902623295 584645400 /nfs/dbraw/zinc/64/54/00/584645400.db2.gz WWHWCFXCFOQFJM-CYBMUJFWSA-N 0 1 239.363 2.198 20 0 BEADMN CCn1cnc(CNC[C@@H]2CCC3(CCC3)O2)c1 ZINC000902642904 584645612 /nfs/dbraw/zinc/64/56/12/584645612.db2.gz DNZUEXOPAPPEFK-ZDUSSCGKSA-N 0 1 249.358 2.094 20 0 BEADMN CCC(N)=NOC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902699644 584654883 /nfs/dbraw/zinc/65/48/83/584654883.db2.gz LYPQJJNVODWZPT-MYJAWHEDSA-N 0 1 214.309 2.098 20 0 BEADMN Cc1ccc(NC(=O)NC[C@@H]2CCN2C)cc1C ZINC000902932591 584699201 /nfs/dbraw/zinc/69/92/01/584699201.db2.gz GFMCOXZUYHSDCG-ZDUSSCGKSA-N 0 1 247.342 2.129 20 0 BEADMN F[C@H]1CCCN(CCN2CCc3ccccc32)C1 ZINC000902991873 584710402 /nfs/dbraw/zinc/71/04/02/584710402.db2.gz DHYJWVSCWNVLLT-AWEZNQCLSA-N 0 1 248.345 2.483 20 0 BEADMN O[C@@H](Cc1ccccc1)CN1CCC[C@@H](F)C1 ZINC000902992965 584710655 /nfs/dbraw/zinc/71/06/55/584710655.db2.gz OZOSDOIYCRMJDD-KGLIPLIRSA-N 0 1 237.318 2.024 20 0 BEADMN CCCn1cc([C@@H](C)NC2(CC)CC2)nn1 ZINC000903005897 584716738 /nfs/dbraw/zinc/71/67/38/584716738.db2.gz ADZVSSWNVMMFBY-SNVBAGLBSA-N 0 1 222.336 2.281 20 0 BEADMN C[C@@H](N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(F)F ZINC000903095517 584729179 /nfs/dbraw/zinc/72/91/79/584729179.db2.gz WIPXGQYRWFZWOL-BAMVVWIKSA-N 0 1 231.286 2.043 20 0 BEADMN CCCc1ncc(CN[C@@H]2CCC[C@H]2OC)o1 ZINC000903185608 584733753 /nfs/dbraw/zinc/73/37/53/584733753.db2.gz FQUBBMPTOSKKBV-VXGBXAGGSA-N 0 1 238.331 2.284 20 0 BEADMN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1nccs1 ZINC000903264228 584740530 /nfs/dbraw/zinc/74/05/30/584740530.db2.gz FYNTZEBFHKAWDJ-IEBDPFPHSA-N 0 1 238.356 2.361 20 0 BEADMN C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C2CC2)n1 ZINC000903267867 584741445 /nfs/dbraw/zinc/74/14/45/584741445.db2.gz GONSZWBZQUTQIX-MFKMUULPSA-N 0 1 231.343 2.321 20 0 BEADMN C[C@H](N[C@@H](c1ncccn1)C1CC1)[C@H]1CCCO1 ZINC000903324306 584747556 /nfs/dbraw/zinc/74/75/56/584747556.db2.gz DHIHWZWIGPGCNH-CYZMBNFOSA-N 0 1 247.342 2.085 20 0 BEADMN CC[C@H](C)NCc1ncc(Br)cn1 ZINC000903318474 584751121 /nfs/dbraw/zinc/75/11/21/584751121.db2.gz KZUICMBYTRFMJT-ZETCQYMHSA-N 0 1 244.136 2.127 20 0 BEADMN C[C@H](N[C@H]1COC[C@@H]1C)c1cccnc1Cl ZINC000903395612 584756842 /nfs/dbraw/zinc/75/68/42/584756842.db2.gz MUDXBLSSVDCJMG-QXEWZRGKSA-N 0 1 240.734 2.421 20 0 BEADMN Cc1nc([C@H](C)NCC[C@H](O)C2CC2)cs1 ZINC000903404927 584758389 /nfs/dbraw/zinc/75/83/89/584758389.db2.gz ARHNZCOHKSRLOI-UFBFGSQYSA-N 0 1 240.372 2.263 20 0 BEADMN CC(C)C[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)[O-] ZINC000903419958 584763966 /nfs/dbraw/zinc/76/39/66/584763966.db2.gz BKQSGSITTGSFEV-NSHDSACASA-N 0 1 236.315 2.013 20 0 BEADMN Cn1ncc2c1CCC[C@H]2NC/C=C/Cl ZINC000903443566 584768946 /nfs/dbraw/zinc/76/89/46/584768946.db2.gz IKEFSFVIWOMRKX-QLCVYAKKSA-N 0 1 225.723 2.140 20 0 BEADMN C=C/C=C/CC[N@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC000903604564 584784428 /nfs/dbraw/zinc/78/44/28/584784428.db2.gz ZVJOOSLREYGLQH-SGUJLRQBSA-N 0 1 223.316 2.304 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CF)C1 ZINC000903607137 584784436 /nfs/dbraw/zinc/78/44/36/584784436.db2.gz HOEUUXNBXALVBW-HBNTYKKESA-N 0 1 231.311 2.167 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000903608018 584784537 /nfs/dbraw/zinc/78/45/37/584784537.db2.gz WSWLCAMMGXPLQR-GXSJLCMTSA-N 0 1 243.372 2.091 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000903608035 584784620 /nfs/dbraw/zinc/78/46/20/584784620.db2.gz WSWLCAMMGXPLQR-ONGXEEELSA-N 0 1 243.372 2.091 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000903605879 584784796 /nfs/dbraw/zinc/78/47/96/584784796.db2.gz DHMKXLPJTFFORN-GARJFASQSA-N 0 1 227.348 2.464 20 0 BEADMN O=C([O-])C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000903590843 584784888 /nfs/dbraw/zinc/78/48/88/584784888.db2.gz AVMPQBRMVYHZCC-SECBINFHSA-N 0 1 247.285 2.361 20 0 BEADMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](CC)CC1CC1 ZINC000903594336 584785552 /nfs/dbraw/zinc/78/55/52/584785552.db2.gz FPEBSKKFGZYAHF-MWLCHTKSSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](CC)C1 ZINC000903597524 584785929 /nfs/dbraw/zinc/78/59/29/584785929.db2.gz NUKSKAAMBJHSBT-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000903597504 584786069 /nfs/dbraw/zinc/78/60/69/584786069.db2.gz NPBBVDHSPHDBSD-MMWGEVLESA-N 0 1 225.332 2.074 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000903596227 584786328 /nfs/dbraw/zinc/78/63/28/584786328.db2.gz SCTSUMFWVSJLPA-KOLCDFICSA-N 0 1 225.288 2.211 20 0 BEADMN C[N@@H+](CCCF)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000903625188 584787553 /nfs/dbraw/zinc/78/75/53/584787553.db2.gz HLGCVRRPVOLBCP-NSHDSACASA-N 0 1 243.253 2.243 20 0 BEADMN O=C([O-])c1occc1C[N@H+]1CCCC12CCC2 ZINC000903631275 584788195 /nfs/dbraw/zinc/78/81/95/584788195.db2.gz LTHUXZJJUQFNFI-UHFFFAOYSA-N 0 1 235.283 2.496 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2(C(=O)[O-])CCC2)[C@H]1C ZINC000903696641 584790095 /nfs/dbraw/zinc/79/00/95/584790095.db2.gz ZIUCMEGUSGAENS-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccccc1CF)C(=O)[O-] ZINC000903702220 584790511 /nfs/dbraw/zinc/79/05/11/584790511.db2.gz RENQEFSAPMAYSH-SNVBAGLBSA-N 0 1 239.290 2.309 20 0 BEADMN C[C@@H]1CSCCC[N@H+]1CCCCC(=O)[O-] ZINC000903708522 584791248 /nfs/dbraw/zinc/79/12/48/584791248.db2.gz YIIRYQVOSDEXLT-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1Cc2cccc(Cl)c2C1 ZINC000903707576 584791299 /nfs/dbraw/zinc/79/12/99/584791299.db2.gz CMPSZIOUYGZIML-ZETCQYMHSA-N 0 1 225.675 2.129 20 0 BEADMN CC12CC(C1)C[N@H+]2CCC1(C(=O)[O-])CCC1 ZINC000903706961 584791312 /nfs/dbraw/zinc/79/13/12/584791312.db2.gz PDNDDPQUIOUNIP-UHFFFAOYSA-N 0 1 223.316 2.116 20 0 BEADMN CC(C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903891941 584813883 /nfs/dbraw/zinc/81/38/83/584813883.db2.gz VVXJBVGPKINVKF-GRYCIOLGSA-N 0 1 225.332 2.075 20 0 BEADMN Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000903889672 584813968 /nfs/dbraw/zinc/81/39/68/584813968.db2.gz OKBVELNHUAMEGT-GXSJLCMTSA-N 0 1 239.340 2.209 20 0 BEADMN CC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903894184 584818876 /nfs/dbraw/zinc/81/88/76/584818876.db2.gz POGFCITWOYCHCA-SDDRHHMPSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903886099 584818887 /nfs/dbraw/zinc/81/88/87/584818887.db2.gz ADGMIZOORBYKMT-KXUCPTDWSA-N 0 1 239.340 2.462 20 0 BEADMN C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885189 584819153 /nfs/dbraw/zinc/81/91/53/584819153.db2.gz IVPWCSHVFMNQSI-WCFLWFBJSA-N 0 1 233.311 2.400 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C ZINC000903914334 584819205 /nfs/dbraw/zinc/81/92/05/584819205.db2.gz XTOUNBGIYOWKMR-OUAUKWLOSA-N 0 1 227.348 2.321 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000903893901 584819233 /nfs/dbraw/zinc/81/92/33/584819233.db2.gz KKIYZJXULFLDSW-WDEREUQCSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000903896006 584819554 /nfs/dbraw/zinc/81/95/54/584819554.db2.gz AGQPJGICYKTUNU-AOOOYVTPSA-N 0 1 234.299 2.153 20 0 BEADMN C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903894463 584819948 /nfs/dbraw/zinc/81/99/48/584819948.db2.gz XEAUWLHDTGLOHR-DDTOSNHZSA-N 0 1 245.322 2.154 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]1C[N@@H+](CCC1CC1)CC1CC1 ZINC000903908836 584821830 /nfs/dbraw/zinc/82/18/30/584821830.db2.gz CHXAJXUCZPIDSF-QWHCGFSZSA-N 0 1 237.343 2.219 20 0 BEADMN C=C/C=C\CC[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000903939479 584822833 /nfs/dbraw/zinc/82/28/33/584822833.db2.gz RFOGYBPSJBAVGQ-XLMCQVRKSA-N 0 1 223.316 2.304 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CCCC1CC1 ZINC000903934800 584825972 /nfs/dbraw/zinc/82/59/72/584825972.db2.gz DSWXBIGZVRMVHF-YPMHNXCESA-N 0 1 223.316 2.116 20 0 BEADMN CCN1CCN(C(=O)OCCC(C)C)[C@H](C)C1 ZINC000859157268 589011524 /nfs/dbraw/zinc/01/15/24/589011524.db2.gz ZWCFRAVOMSXFLG-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN C[C@@H](Nc1ccc(C2CCC2)c[nH+]1)C(=O)[O-] ZINC000904244994 584856746 /nfs/dbraw/zinc/85/67/46/584856746.db2.gz XDHYQOUDOWEOPO-MRVPVSSYSA-N 0 1 220.272 2.234 20 0 BEADMN CC[C@H](C)N(C)Cc1cc(Cl)n(C)n1 ZINC000859186520 589015932 /nfs/dbraw/zinc/01/59/32/589015932.db2.gz ZWRHCQMYZKWYRC-QMMMGPOBSA-N 0 1 215.728 2.304 20 0 BEADMN CC[C@H](C(=O)OC[C@H](C)SC)N(CC)CC ZINC000835685072 584929098 /nfs/dbraw/zinc/92/90/98/584929098.db2.gz IXJPQJNHRAPFHV-WDEREUQCSA-N 0 1 247.404 2.402 20 0 BEADMN CCc1cc(CNC(=O)CC2CCCC2)n[nH]1 ZINC000732788478 584940620 /nfs/dbraw/zinc/94/06/20/584940620.db2.gz NENSZXTVACDPRJ-UHFFFAOYSA-N 0 1 235.331 2.169 20 0 BEADMN CCc1cc(CNC(=O)C(C)(C)CC)n[nH]1 ZINC000732793614 584941112 /nfs/dbraw/zinc/94/11/12/584941112.db2.gz SVYBHVWCAWROOU-UHFFFAOYSA-N 0 1 223.320 2.025 20 0 BEADMN CC/C=C(/C)C(=O)N1CCN(C2CCC2)CC1 ZINC000733276920 584945702 /nfs/dbraw/zinc/94/57/02/584945702.db2.gz ZALLSDZQQCOCIX-XGICHPGQSA-N 0 1 236.359 2.039 20 0 BEADMN CCC/C(C)=C\C(=O)NCc1cc(C)[nH]n1 ZINC000733287125 584945782 /nfs/dbraw/zinc/94/57/82/584945782.db2.gz GJEPNLZMKMSKFS-TWGQIWQCSA-N 0 1 221.304 2.081 20 0 BEADMN Cc1nonc1CN1CCC[C@H](C)CC1 ZINC000734146138 584957209 /nfs/dbraw/zinc/95/72/09/584957209.db2.gz DDHYCPIMPVIOBI-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)C(C)(C)C)n[nH]1 ZINC000734434753 584962215 /nfs/dbraw/zinc/96/22/15/584962215.db2.gz BXOIXRKOFMHZBZ-VIFPVBQESA-N 0 1 237.347 2.271 20 0 BEADMN C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)C(C)(C)C ZINC000734444910 584962609 /nfs/dbraw/zinc/96/26/09/584962609.db2.gz GHSLKPYHANXUEF-VIFPVBQESA-N 0 1 249.358 2.310 20 0 BEADMN C[C@@H]1CCC[C@H](CC(=O)OCc2c[nH]nn2)C1 ZINC000734518879 584963556 /nfs/dbraw/zinc/96/35/56/584963556.db2.gz NCECVXOEMCTZAI-ZJUUUORDSA-N 0 1 237.303 2.064 20 0 BEADMN O=C(/C=C/C1CCCCC1)OCCc1c[nH]nn1 ZINC000735071505 584971938 /nfs/dbraw/zinc/97/19/38/584971938.db2.gz CWIBHJQPQJZJSZ-VOTSOKGWSA-N 0 1 249.314 2.027 20 0 BEADMN O=C(/C=C/C1CCCCC1)OCCc1cnn[nH]1 ZINC000735071505 584971939 /nfs/dbraw/zinc/97/19/39/584971939.db2.gz CWIBHJQPQJZJSZ-VOTSOKGWSA-N 0 1 249.314 2.027 20 0 BEADMN C[C@@H]1[C@@H](C)CN1Cc1cccc2c1OCCO2 ZINC000815163101 584973448 /nfs/dbraw/zinc/97/34/48/584973448.db2.gz OKMVTSJWUBSYLW-WDEREUQCSA-N 0 1 233.311 2.298 20 0 BEADMN CC(C)CC(N)=[NH+]OCc1cc(C(=O)[O-])co1 ZINC000736410225 585001063 /nfs/dbraw/zinc/00/10/63/585001063.db2.gz RLGRHXIWMUKMPO-UHFFFAOYSA-N 0 1 240.259 2.022 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cscn1 ZINC000736432668 585001617 /nfs/dbraw/zinc/00/16/17/585001617.db2.gz SBWABYYSOXEMMX-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN CC(C)[C@@H](NCc1cncn1C)c1ccccn1 ZINC000736648204 585008356 /nfs/dbraw/zinc/00/83/56/585008356.db2.gz SWHSANKPTZJRHO-CQSZACIVSA-N 0 1 244.342 2.302 20 0 BEADMN CC(C)[C@H](NCc1cncn1C)c1ccccn1 ZINC000736648203 585008366 /nfs/dbraw/zinc/00/83/66/585008366.db2.gz SWHSANKPTZJRHO-AWEZNQCLSA-N 0 1 244.342 2.302 20 0 BEADMN CO[C@@H]1CC[C@H](N(C)Cc2nccs2)C1 ZINC000821379018 585016037 /nfs/dbraw/zinc/01/60/37/585016037.db2.gz AAEMFYKUDPVMEC-VHSXEESVSA-N 0 1 226.345 2.142 20 0 BEADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[O-])C1 ZINC000736941610 585019698 /nfs/dbraw/zinc/01/96/98/585019698.db2.gz XTOVNKYTEYFZEB-JTQLQIEISA-N 0 1 228.336 2.155 20 0 BEADMN Cc1nc(COC(=O)CCCCC(C)C)n[nH]1 ZINC000838429931 585057524 /nfs/dbraw/zinc/05/75/24/585057524.db2.gz ONRAIILDKJBDQO-UHFFFAOYSA-N 0 1 239.319 2.373 20 0 BEADMN CCN(Cc1cnn(CC)n1)[C@H](C)C(C)C ZINC000838807202 585069998 /nfs/dbraw/zinc/06/99/98/585069998.db2.gz OCRCXRKOPIEREL-LLVKDONJSA-N 0 1 224.352 2.164 20 0 BEADMN CCn1ncc(CN2CCCC[C@H]2C(C)C)n1 ZINC000838841350 585073966 /nfs/dbraw/zinc/07/39/66/585073966.db2.gz VSXUYFNJHSPIGT-ZDUSSCGKSA-N 0 1 236.363 2.309 20 0 BEADMN CC1(C)CCN1Cc1cnc(C2CC2)nc1 ZINC000838843698 585074145 /nfs/dbraw/zinc/07/41/45/585074145.db2.gz RMRJGVUMWBCNED-UHFFFAOYSA-N 0 1 217.316 2.338 20 0 BEADMN C[C@@H](O)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000838841701 585074183 /nfs/dbraw/zinc/07/41/83/585074183.db2.gz QLXSHLKCRXFFFR-BHPKHCPMSA-N 0 1 249.354 2.218 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)OCc1c[nH]nn1 ZINC000838897323 585079205 /nfs/dbraw/zinc/07/92/05/585079205.db2.gz LTDYESNJAIJZFY-MWLCHTKSSA-N 0 1 237.303 2.064 20 0 BEADMN Cc1csc(C(C)(C)NC[C@@H](O)C2CC2)n1 ZINC000838896077 585079310 /nfs/dbraw/zinc/07/93/10/585079310.db2.gz XGNDUJKXFIXAKH-SNVBAGLBSA-N 0 1 240.372 2.047 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)OCc1c[nH]nn1 ZINC000838901564 585080317 /nfs/dbraw/zinc/08/03/17/585080317.db2.gz OSHJJWLFSGKMBI-VHSXEESVSA-N 0 1 237.303 2.064 20 0 BEADMN CCCCCC[C@H](C)C(=O)OCc1c[nH]nn1 ZINC000838902567 585080386 /nfs/dbraw/zinc/08/03/86/585080386.db2.gz ZYQNRICGQVOCTC-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2cnn(CC)n2)C1 ZINC000839127094 585093380 /nfs/dbraw/zinc/09/33/80/585093380.db2.gz FSAXLHJJYMNMSW-NWDGAFQWSA-N 0 1 236.363 2.309 20 0 BEADMN C[C@]1(CNCc2cnccn2)CC1(Cl)Cl ZINC000839127890 585093687 /nfs/dbraw/zinc/09/36/87/585093687.db2.gz ZVIOYZFFJIKYES-SECBINFHSA-N 0 1 246.141 2.150 20 0 BEADMN CCONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000839474660 585105234 /nfs/dbraw/zinc/10/52/34/585105234.db2.gz APXVAVGPPXFOIA-LLVKDONJSA-N 0 1 249.310 2.399 20 0 BEADMN CON(Cc1[nH]ncc1C)Cc1ccccc1 ZINC000886121225 585105997 /nfs/dbraw/zinc/10/59/97/585105997.db2.gz YMNASMFXPBYYFC-UHFFFAOYSA-N 0 1 231.299 2.282 20 0 BEADMN C/C=C\COC(=O)[C@@H](C)N1CCCCCC1 ZINC000741031334 585108920 /nfs/dbraw/zinc/10/89/20/585108920.db2.gz OXCCTQZDEYDLTP-VSQXVHSFSA-N 0 1 225.332 2.370 20 0 BEADMN CC[C@@H](C)OC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000741014904 585109168 /nfs/dbraw/zinc/10/91/68/585109168.db2.gz RPEIFQJHPHRCAU-VXGBXAGGSA-N 0 1 227.348 2.449 20 0 BEADMN CC(C)COC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000741018989 585109433 /nfs/dbraw/zinc/10/94/33/585109433.db2.gz VQLYMTKNEFXJBP-SRVKXCTJSA-N 0 1 227.348 2.447 20 0 BEADMN O=C(OCCCF)c1cccc2[nH]ncc21 ZINC000741445411 585113920 /nfs/dbraw/zinc/11/39/20/585113920.db2.gz YSJMAVADUOUSKP-UHFFFAOYSA-N 0 1 222.219 2.079 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@H](C)C(C)C ZINC000741778210 585117544 /nfs/dbraw/zinc/11/75/44/585117544.db2.gz BQRVEEWPJSXVBT-MNOVXSKESA-N 0 1 215.337 2.304 20 0 BEADMN CCCCOC(=O)[C@H](C)N(CC)CCC ZINC000741782391 585118607 /nfs/dbraw/zinc/11/86/07/585118607.db2.gz UHMFSLWNUJIKEZ-NSHDSACASA-N 0 1 215.337 2.450 20 0 BEADMN C/C(=C/C(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000742537300 585127746 /nfs/dbraw/zinc/12/77/46/585127746.db2.gz VKGKOTVEOHZKLQ-YVMONPNESA-N 0 1 207.277 2.341 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2C3CCC2CC3)C1 ZINC000743352921 585135666 /nfs/dbraw/zinc/13/56/66/585135666.db2.gz STFYEMKHFLLEHM-HIFPTAJRSA-N 0 1 236.359 2.219 20 0 BEADMN CCC[C@@H]1CC(=O)N(CN2C3CCC2CC3)C1 ZINC000743352922 585135673 /nfs/dbraw/zinc/13/56/73/585135673.db2.gz STFYEMKHFLLEHM-PNESKVBLSA-N 0 1 236.359 2.219 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(C)CC(C)C)C1 ZINC000743359174 585135921 /nfs/dbraw/zinc/13/59/21/585135921.db2.gz TYBMPWFFUPEWCD-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000743850750 585140710 /nfs/dbraw/zinc/14/07/10/585140710.db2.gz TZEVLIBEJXLBQG-SSDOTTSWSA-N 0 1 249.141 2.201 20 0 BEADMN C[C@@H](O)CN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000743850750 585140711 /nfs/dbraw/zinc/14/07/11/585140711.db2.gz TZEVLIBEJXLBQG-SSDOTTSWSA-N 0 1 249.141 2.201 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN2CC[C@H](C)C2)C1 ZINC000744433375 585150286 /nfs/dbraw/zinc/15/02/86/585150286.db2.gz HWRSNNMVGRECQV-QWHCGFSZSA-N 0 1 238.375 2.180 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)OCC1CCC1 ZINC000744854634 585153865 /nfs/dbraw/zinc/15/38/65/585153865.db2.gz LXCHJUXITTUBCA-UHFFFAOYSA-N 0 1 244.294 2.449 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CCC1)N1CCCC1 ZINC000745089749 585156515 /nfs/dbraw/zinc/15/65/15/585156515.db2.gz SWXUBAKNWPLVDF-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1nc([C@@H](C)N(C)OCc2ccccc2)n[nH]1 ZINC000839529635 585161885 /nfs/dbraw/zinc/16/18/85/585161885.db2.gz ZLJGWHRRMAWOOM-SNVBAGLBSA-N 0 1 246.314 2.238 20 0 BEADMN CN(CCF)CCCOc1ccccc1 ZINC000746503140 585169273 /nfs/dbraw/zinc/16/92/73/585169273.db2.gz OXHKVFRNSLICNE-UHFFFAOYSA-N 0 1 211.280 2.357 20 0 BEADMN CC(C)C[C@@H]1CCCN1Cn1ccsc1=O ZINC000746610961 585170973 /nfs/dbraw/zinc/17/09/73/585170973.db2.gz JSVNTXOQUCOGOD-NSHDSACASA-N 0 1 240.372 2.378 20 0 BEADMN O=C(OCC(F)F)c1c(F)cc(O)cc1F ZINC000746988018 585173998 /nfs/dbraw/zinc/17/39/98/585173998.db2.gz UEXLSNBJVLWTHA-UHFFFAOYSA-N 0 1 238.136 2.092 20 0 BEADMN Cc1cc(N2Cc3ccccc3[C@@H]2C)nc(N)n1 ZINC000747227216 585177076 /nfs/dbraw/zinc/17/70/76/585177076.db2.gz SVGDJKGGNGBYAJ-JTQLQIEISA-N 0 1 240.310 2.448 20 0 BEADMN O=C1CC2(CCCC2)CN1CN1CCCCC1 ZINC000747452791 585179076 /nfs/dbraw/zinc/17/90/76/585179076.db2.gz GYCZZTWUCKWVGT-UHFFFAOYSA-N 0 1 236.359 2.223 20 0 BEADMN CC[C@@H](C)CN(CC)Cn1cc[nH]c1=S ZINC000748263478 585190250 /nfs/dbraw/zinc/19/02/50/585190250.db2.gz UUIMVTGZFZZPAJ-SNVBAGLBSA-N 0 1 227.377 2.497 20 0 BEADMN CN(C)Cc1ccc(NC(=O)C2CC2)cc1F ZINC000749155018 585199882 /nfs/dbraw/zinc/19/98/82/585199882.db2.gz OXFYCZQETOSQSE-UHFFFAOYSA-N 0 1 236.290 2.236 20 0 BEADMN CS[C@@H]1CCCCN(Cc2nonc2C)C1 ZINC000749465773 585202687 /nfs/dbraw/zinc/20/26/87/585202687.db2.gz JTWJHFHTOGEUIF-SNVBAGLBSA-N 0 1 241.360 2.096 20 0 BEADMN CCCCN(C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749941536 585208819 /nfs/dbraw/zinc/20/88/19/585208819.db2.gz QGXINDWGMWCDMM-CHWSQXEVSA-N 0 1 238.375 2.467 20 0 BEADMN CCCN(C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749947913 585208963 /nfs/dbraw/zinc/20/89/63/585208963.db2.gz IWLWOWOLKRZCKX-NWDGAFQWSA-N 0 1 224.348 2.077 20 0 BEADMN CCCCN(C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749941540 585208970 /nfs/dbraw/zinc/20/89/70/585208970.db2.gz QGXINDWGMWCDMM-STQMWFEESA-N 0 1 238.375 2.467 20 0 BEADMN Cl/C=C\CN1CCC(c2cn[nH]c2)CC1 ZINC000750509442 585216246 /nfs/dbraw/zinc/21/62/46/585216246.db2.gz SRKUEXNRLBLDHP-RJRFIUFISA-N 0 1 225.723 2.342 20 0 BEADMN C/C=C(/C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000751376153 585228358 /nfs/dbraw/zinc/22/83/58/585228358.db2.gz HWUJUVDZIANMKO-KMKOMSMNSA-N 0 1 242.282 2.172 20 0 BEADMN C[C@@H]1CCCN1CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000751927462 585239321 /nfs/dbraw/zinc/23/93/21/585239321.db2.gz YXJZPNCFXOXOPH-UPJWGTAASA-N 0 1 236.359 2.219 20 0 BEADMN CCC/C=C/C(=O)Nc1cc(N(C)C)ccn1 ZINC000753013327 585252292 /nfs/dbraw/zinc/25/22/92/585252292.db2.gz LEXDVGZNSMLAKH-VOTSOKGWSA-N 0 1 233.315 2.442 20 0 BEADMN Cc1[nH]ncc1CNC(=O)/C=C1\CC[C@H](C)C1 ZINC000753593735 585263242 /nfs/dbraw/zinc/26/32/42/585263242.db2.gz RHTCGFSCPNKZJU-CAXXOGMASA-N 0 1 233.315 2.081 20 0 BEADMN CCC(=O)CCN(C)Cc1cccc(O)c1 ZINC000753732412 585267522 /nfs/dbraw/zinc/26/75/22/585267522.db2.gz LZFCVADOXCHLJQ-UHFFFAOYSA-N 0 1 221.300 2.193 20 0 BEADMN CCN1CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC000754197561 585280097 /nfs/dbraw/zinc/28/00/97/585280097.db2.gz NVVDYTRXIGBYRS-GUOLPTJISA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)(C)[C@@H]1CCN(C/C=C\Cl)C[C@H]1O ZINC000754237522 585280633 /nfs/dbraw/zinc/28/06/33/585280633.db2.gz ZNLFCIZSISNGDS-DPIUTZRQSA-N 0 1 231.767 2.468 20 0 BEADMN CC(C)CCON=C(N)CN1CCCC[C@@H]1C ZINC000754291787 585281979 /nfs/dbraw/zinc/28/19/79/585281979.db2.gz KSOBDHIHKOMOBU-LBPRGKRZSA-N 0 1 241.379 2.405 20 0 BEADMN CC1(C)CCN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000754659094 585288826 /nfs/dbraw/zinc/28/88/26/585288826.db2.gz NDNZNIFJNDMLIM-GFCCVEGCSA-N 0 1 241.281 2.483 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)CC(C)(C)C)C1 ZINC000755923558 585310673 /nfs/dbraw/zinc/31/06/73/585310673.db2.gz RYYJBLNXVMZVGN-LLVKDONJSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1cc(CC(=O)O[C@@H](C)CC(C)C)n[nH]1 ZINC000756246920 585316336 /nfs/dbraw/zinc/31/63/36/585316336.db2.gz ZWPWYKNGTMYAHM-JTQLQIEISA-N 0 1 224.304 2.238 20 0 BEADMN Cc1cc(CC(=O)OCc2ccccc2C)n[nH]1 ZINC000756699313 585322333 /nfs/dbraw/zinc/32/23/33/585322333.db2.gz CVUJSHARNQPZHD-UHFFFAOYSA-N 0 1 244.294 2.312 20 0 BEADMN CC(C)COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757884112 585346531 /nfs/dbraw/zinc/34/65/31/585346531.db2.gz UYYQZXBZHLWCGQ-VIFPVBQESA-N 0 1 222.288 2.029 20 0 BEADMN O=C(O[C@H]1C=CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000758131605 585350244 /nfs/dbraw/zinc/35/02/44/585350244.db2.gz FIXCVNJIDZSDGT-QWRGUYRKSA-N 0 1 246.310 2.482 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@](C)(CC)C1 ZINC000758747269 585359268 /nfs/dbraw/zinc/35/92/68/585359268.db2.gz KIBMWYNTXQLINO-WCQYABFASA-N 0 1 227.348 2.450 20 0 BEADMN CCC(N)=NOCc1cccc(-n2cccn2)c1 ZINC000758765763 585359660 /nfs/dbraw/zinc/35/96/60/585359660.db2.gz XBPSBCDZKHKHBX-UHFFFAOYSA-N 0 1 244.298 2.281 20 0 BEADMN FCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000759329067 585367406 /nfs/dbraw/zinc/36/74/06/585367406.db2.gz WPKIZTCLPAGPAP-UHFFFAOYSA-N 0 1 245.301 2.200 20 0 BEADMN OCCN(CCF)[C@@H]1CCCc2ccccc21 ZINC000759344356 585369549 /nfs/dbraw/zinc/36/95/49/585369549.db2.gz YJEPVHBRMXNSMO-CQSZACIVSA-N 0 1 237.318 2.328 20 0 BEADMN OCCCN(CCF)[C@H]1CCc2ccccc21 ZINC000759343419 585369618 /nfs/dbraw/zinc/36/96/18/585369618.db2.gz VFFVHTLFJGNMKG-AWEZNQCLSA-N 0 1 237.318 2.328 20 0 BEADMN CCCCCC[C@H](O)CN1CCO[C@@H](C)[C@@H]1C ZINC000759383617 585371931 /nfs/dbraw/zinc/37/19/31/585371931.db2.gz MQBMXOXYZGGHRF-IHRRRGAJSA-N 0 1 243.391 2.427 20 0 BEADMN CCCCCCN1CC[C@H](C)[S@@](=O)CC1 ZINC000759868776 585381695 /nfs/dbraw/zinc/38/16/95/585381695.db2.gz LZXUZHIEVXFFNM-WFASDCNBSA-N 0 1 231.405 2.410 20 0 BEADMN CCCCCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000759868773 585381796 /nfs/dbraw/zinc/38/17/96/585381796.db2.gz LZXUZHIEVXFFNM-IUODEOHRSA-N 0 1 231.405 2.410 20 0 BEADMN Cc1nnc(NC(=O)c2cc(Cl)cs2)[nH]1 ZINC000760263057 585387921 /nfs/dbraw/zinc/38/79/21/585387921.db2.gz WFVMDVYLJFQKMT-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN Cc1n[nH]c(NC(=O)c2cc(Cl)cs2)n1 ZINC000760263057 585387922 /nfs/dbraw/zinc/38/79/22/585387922.db2.gz WFVMDVYLJFQKMT-UHFFFAOYSA-N 0 1 242.691 2.080 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(CC)CCC2CC2)C1 ZINC000760537272 585393827 /nfs/dbraw/zinc/39/38/27/585393827.db2.gz JFXJWMSSXWGIIR-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@@H](CC(=O)Nc1ccc2[nH]nnc2c1)C1CC1 ZINC000760710593 585395875 /nfs/dbraw/zinc/39/58/75/585395875.db2.gz IRLIHKXBMAOCQM-QMMMGPOBSA-N 0 1 244.298 2.333 20 0 BEADMN CCN(CCC1CC1)CC(=O)OCC(C)C ZINC000760890062 585401476 /nfs/dbraw/zinc/40/14/76/585401476.db2.gz WPFFULBGGGDHJB-UHFFFAOYSA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)CC1CCN(C(=O)[C@H](C)N(C)C)CC1 ZINC000760939066 585402226 /nfs/dbraw/zinc/40/22/26/585402226.db2.gz JGGKMPLXFZMEBK-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1CC[C@H]2C[C@H]21 ZINC000761080401 585406817 /nfs/dbraw/zinc/40/68/17/585406817.db2.gz DDOPQBBSEATMFO-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN CCCCC[C@H](C)NC(=O)CN1CC[C@@H]2C[C@@H]21 ZINC000761080402 585406891 /nfs/dbraw/zinc/40/68/91/585406891.db2.gz DDOPQBBSEATMFO-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN COC(=O)c1ccc(CN2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000761100480 585409514 /nfs/dbraw/zinc/40/95/14/585409514.db2.gz XVWOXDLCNWLDSU-RNCFNFMXSA-N 0 1 249.285 2.207 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cn1cc[nH]c1=S ZINC000762137037 585427555 /nfs/dbraw/zinc/42/75/55/585427555.db2.gz HAGCGSWXMMVHKY-JTQLQIEISA-N 0 1 237.372 2.394 20 0 BEADMN CC(C)CCN(C)CN1C[C@H](C2CC2)CC1=O ZINC000762489006 585432995 /nfs/dbraw/zinc/43/29/95/585432995.db2.gz XZYQAWNFDXRLBJ-CYBMUJFWSA-N 0 1 238.375 2.180 20 0 BEADMN CCC(=O)COC(=O)c1ccc(O)c(Cl)c1 ZINC000762830982 585437931 /nfs/dbraw/zinc/43/79/31/585437931.db2.gz PRTIIAJJMRAWES-UHFFFAOYSA-N 0 1 242.658 2.182 20 0 BEADMN CO[C@H](C)COC(=O)c1ccc(O)c(Cl)c1 ZINC000762832027 585438138 /nfs/dbraw/zinc/43/81/38/585438138.db2.gz VKKNONVHUMSTFJ-SSDOTTSWSA-N 0 1 244.674 2.237 20 0 BEADMN CC(C)[C@H]1CC[C@H](C(=O)Nc2c[nH]nn2)CC1 ZINC000763196924 585444356 /nfs/dbraw/zinc/44/43/56/585444356.db2.gz NCUHPANJQIHTFM-MGCOHNPYSA-N 0 1 236.319 2.206 20 0 BEADMN Cc1occc1CN(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763671052 585452150 /nfs/dbraw/zinc/45/21/50/585452150.db2.gz HWDJHEQCVTUWEK-GFCCVEGCSA-N 0 1 249.310 2.116 20 0 BEADMN CCN(Cc1ccoc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763676284 585452277 /nfs/dbraw/zinc/45/22/77/585452277.db2.gz RTTYIPKSAMKXSO-GFCCVEGCSA-N 0 1 249.310 2.197 20 0 BEADMN CCO[C@@H]1C[C@H](N(C)CCF)C12CCC2 ZINC000763701940 585453115 /nfs/dbraw/zinc/45/31/15/585453115.db2.gz PDYQNDGKCGFWAE-WDEREUQCSA-N 0 1 215.312 2.235 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000764488541 585466500 /nfs/dbraw/zinc/46/65/00/585466500.db2.gz VTMXHWYRWGJNBU-AAEUAGOBSA-N 0 1 239.359 2.450 20 0 BEADMN CCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000765737833 585492191 /nfs/dbraw/zinc/49/21/91/585492191.db2.gz IBGMSHBNJNSGJB-QWRGUYRKSA-N 0 1 242.363 2.336 20 0 BEADMN CC[C@@H](C(=O)OCc1ccoc1)N(CC)CC ZINC000765967568 585494791 /nfs/dbraw/zinc/49/47/91/585494791.db2.gz SMQVJCWHBCCQHM-LBPRGKRZSA-N 0 1 239.315 2.443 20 0 BEADMN CN(Cn1ccc(-c2nccs2)n1)C1CCC1 ZINC000766089662 585497481 /nfs/dbraw/zinc/49/74/81/585497481.db2.gz BTSOSPQYSAEYSE-UHFFFAOYSA-N 0 1 248.355 2.448 20 0 BEADMN CN1CCN(C/C(Cl)=C\Cl)C(C)(C)C1 ZINC000767009025 585512374 /nfs/dbraw/zinc/51/23/74/585512374.db2.gz SSDXGYOKVSZZGM-RMKNXTFCSA-N 0 1 237.174 2.331 20 0 BEADMN C[C@H](C(=O)OCCCF)N1[C@H](C)CC[C@@H]1C ZINC000767348711 585517287 /nfs/dbraw/zinc/51/72/87/585517287.db2.gz HLJQHDNZYGICJV-OUAUKWLOSA-N 0 1 231.311 2.151 20 0 BEADMN CC[N@@H+](CCC(=O)C1CC1)Cc1ccccn1 ZINC000767413690 585519230 /nfs/dbraw/zinc/51/92/30/585519230.db2.gz DGGVSXMGXOYLTO-UHFFFAOYSA-N 0 1 232.327 2.273 20 0 BEADMN CCN(CCC(=O)C1CC1)Cc1ccccn1 ZINC000767413690 585519231 /nfs/dbraw/zinc/51/92/31/585519231.db2.gz DGGVSXMGXOYLTO-UHFFFAOYSA-N 0 1 232.327 2.273 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000300751144 585526951 /nfs/dbraw/zinc/52/69/51/585526951.db2.gz LDWKBIYPTZRSRK-PWSUYJOCSA-N 0 1 225.332 2.219 20 0 BEADMN CC1(C2CCN(C/C=C\Cl)CC2)OCCO1 ZINC000767901946 585527723 /nfs/dbraw/zinc/52/77/23/585527723.db2.gz JOPCQERNXPCPPF-DJWKRKHSSA-N 0 1 245.750 2.214 20 0 BEADMN Cc1cc(CN(CCO)C2CC2)cnc1Cl ZINC000768330427 585535850 /nfs/dbraw/zinc/53/58/50/585535850.db2.gz RYOAINZLUHFSBG-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN Cl/C=C\CN1CCOC2(CCOCC2)CC1 ZINC000769228529 585551409 /nfs/dbraw/zinc/55/14/09/585551409.db2.gz BXSNFENLGBPGEQ-KTAJNNJTSA-N 0 1 245.750 2.010 20 0 BEADMN C[C@@H]1COCCN(Cc2n[nH]c3ccccc32)C1 ZINC000769455643 585557706 /nfs/dbraw/zinc/55/77/06/585557706.db2.gz GMERMTGUEHCWIA-NSHDSACASA-N 0 1 245.326 2.031 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2cc(C)oc2C)C[C@H]1O ZINC000770377759 585573547 /nfs/dbraw/zinc/57/35/47/585573547.db2.gz DBBHGCYJBHGENI-WCQYABFASA-N 0 1 223.316 2.099 20 0 BEADMN CC[C@@H](SC)C(=O)OCCN1CCCCC1 ZINC000770403741 585573747 /nfs/dbraw/zinc/57/37/47/585573747.db2.gz KDQDPONEPWOPCH-LLVKDONJSA-N 0 1 245.388 2.157 20 0 BEADMN Cc1ccncc1[C@@H](C)NC(=O)C(F)(F)F ZINC000771400524 585593628 /nfs/dbraw/zinc/59/36/28/585593628.db2.gz YHKCRBXVAXNMBV-SSDOTTSWSA-N 0 1 232.205 2.130 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771407002 585594169 /nfs/dbraw/zinc/59/41/69/585594169.db2.gz PUEIUCRNUJAFKU-OBXXYZRDSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1[C@H](C)N(C/C(Cl)=C\Cl)CCN1C ZINC000771461212 585594893 /nfs/dbraw/zinc/59/48/93/585594893.db2.gz RZRHTPASCPTPCG-FABCMWHDSA-N 0 1 237.174 2.330 20 0 BEADMN Cc1cccc(NCCCNc2ncccn2)n1 ZINC000771753300 585599680 /nfs/dbraw/zinc/59/96/80/585599680.db2.gz HZFLLGUHOLICCQ-UHFFFAOYSA-N 0 1 243.314 2.094 20 0 BEADMN C[C@@H](N[C@H](CO)C1CC1)c1c(F)cccc1F ZINC000773007483 585629462 /nfs/dbraw/zinc/62/94/62/585629462.db2.gz GOWXNCXFVHMUPW-PRHODGIISA-N 0 1 241.281 2.386 20 0 BEADMN COCCC(C)(C)C(=O)NOc1ccccc1 ZINC000773474639 585637815 /nfs/dbraw/zinc/63/78/15/585637815.db2.gz VJORQJQLIAOLSM-UHFFFAOYSA-N 0 1 237.299 2.159 20 0 BEADMN CCCCC[C@H](CC)C(=O)NCc1c[nH]nn1 ZINC000775767999 585684409 /nfs/dbraw/zinc/68/44/09/585684409.db2.gz JTQDDVNBEBKVIL-JTQLQIEISA-N 0 1 238.335 2.027 20 0 BEADMN CC[C@@H]1CCCN1CC(=O)OCC(C)C ZINC000776582064 585701363 /nfs/dbraw/zinc/70/13/63/585701363.db2.gz PCKARPQJJHMJCR-LLVKDONJSA-N 0 1 213.321 2.060 20 0 BEADMN CC[C@@H](C)OC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777084809 585708312 /nfs/dbraw/zinc/70/83/12/585708312.db2.gz KAQZAAZLQQWSAA-SECBINFHSA-N 0 1 236.315 2.173 20 0 BEADMN c1n[nH]nc1SCc1ccc2c(c1)COC2 ZINC000777932942 585723927 /nfs/dbraw/zinc/72/39/27/585723927.db2.gz KDTZELJQACOXIA-UHFFFAOYSA-N 0 1 233.296 2.127 20 0 BEADMN C[C@@H]1CCN(C[C@H](O)c2ccccc2)C[C@@H]1F ZINC000778238604 585728953 /nfs/dbraw/zinc/72/89/53/585728953.db2.gz UDDHRRQHEZFDAX-XBFCOCLRSA-N 0 1 237.318 2.400 20 0 BEADMN CC[C@H](C(=O)O[C@H](C)CCOC)N(CC)CC ZINC000778690949 585739146 /nfs/dbraw/zinc/73/91/46/585739146.db2.gz WJRZUOFCSZJCSZ-VXGBXAGGSA-N 0 1 245.363 2.075 20 0 BEADMN O[C@H](CN1CC=CCC1)c1cccc(F)c1 ZINC000778966704 585743305 /nfs/dbraw/zinc/74/33/05/585743305.db2.gz LYLJIJWPWIENIM-CYBMUJFWSA-N 0 1 221.275 2.121 20 0 BEADMN c1cc2nsnc2c(CN2CC=CCC2)c1 ZINC000778968087 585743312 /nfs/dbraw/zinc/74/33/12/585743312.db2.gz XBHBBRRBOXVSJS-UHFFFAOYSA-N 0 1 231.324 2.453 20 0 BEADMN CCC(CC)c1cc(CN[C@@H](C)CCO)on1 ZINC000779348007 585752412 /nfs/dbraw/zinc/75/24/12/585752412.db2.gz OFXWPUWQDDEFSQ-JTQLQIEISA-N 0 1 240.347 2.439 20 0 BEADMN C[C@@H](CCO)NCc1cc(-c2ccccc2)on1 ZINC000779401855 585753379 /nfs/dbraw/zinc/75/33/79/585753379.db2.gz ZGMUXJKBFTZHIP-NSHDSACASA-N 0 1 246.310 2.202 20 0 BEADMN CC/C(C)=C(\C)C(=O)N1CCN(C)CC1(C)C ZINC000780023994 585771709 /nfs/dbraw/zinc/77/17/09/585771709.db2.gz NYJRKTFXQAADQM-VAWYXSNFSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@H]1CN(Cc2c(F)cccc2F)CCN1C ZINC000780301504 585777526 /nfs/dbraw/zinc/77/75/26/585777526.db2.gz MHHVLKCSBWERNG-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CC(C)[C@@H]1CCCN(CN2CCSC2=O)C1 ZINC000780498973 585779513 /nfs/dbraw/zinc/77/95/13/585779513.db2.gz QPQIPSYCMHSRNW-LLVKDONJSA-N 0 1 242.388 2.481 20 0 BEADMN CCc1cc(CNC(=O)[C@H](C)[C@@H](C)CC)n[nH]1 ZINC000780507902 585779701 /nfs/dbraw/zinc/77/97/01/585779701.db2.gz HAYLKUHPAGMFRM-VHSXEESVSA-N 0 1 237.347 2.271 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)[C@@H](C)CC)n[nH]1 ZINC000780507898 585779879 /nfs/dbraw/zinc/77/98/79/585779879.db2.gz HAYLKUHPAGMFRM-UWVGGRQHSA-N 0 1 237.347 2.271 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000781008046 585788459 /nfs/dbraw/zinc/78/84/59/585788459.db2.gz MXLRTGVRMVWRCU-QUVIIPFCSA-N 0 1 238.375 2.284 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000781609636 585800333 /nfs/dbraw/zinc/80/03/33/585800333.db2.gz ZCSFKUOJIQCENE-MXWKQRLJSA-N 0 1 247.342 2.134 20 0 BEADMN C[C@](CO)(NCc1nc2ccccc2o1)C1CC1 ZINC000782177277 585809699 /nfs/dbraw/zinc/80/96/99/585809699.db2.gz VBFKIZRQDKUKQN-CQSZACIVSA-N 0 1 246.310 2.078 20 0 BEADMN C[C@H](C1CC1)N1CCO[C@H](c2ccco2)C1 ZINC000782186381 585811011 /nfs/dbraw/zinc/81/10/11/585811011.db2.gz JRDKMKPEXCJPJE-MFKMUULPSA-N 0 1 221.300 2.451 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1CC[C@@H]2C[C@@H]21 ZINC000782486489 585819133 /nfs/dbraw/zinc/81/91/33/585819133.db2.gz MCMUUKCJXAPTRW-WOPDTQHZSA-N 0 1 225.332 2.058 20 0 BEADMN Cc1oncc1CN1CC[C@@H](C(F)F)C1 ZINC000782525525 585819551 /nfs/dbraw/zinc/81/95/51/585819551.db2.gz WLDXPGQXWCZDFH-MRVPVSSYSA-N 0 1 216.231 2.070 20 0 BEADMN CCCCCCN1CCNC(=O)[C@H]1CC(C)C ZINC000782570832 585820298 /nfs/dbraw/zinc/82/02/98/585820298.db2.gz VEBBACIESXDBCK-CYBMUJFWSA-N 0 1 240.391 2.413 20 0 BEADMN CCCC[C@@H](CC)CN1CC(=O)N(C)C[C@H]1C ZINC000782585042 585820551 /nfs/dbraw/zinc/82/05/51/585820551.db2.gz MDZZXJWJWFMUMM-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)[C@H](C)[C@H](C)O1 ZINC000782619250 585822743 /nfs/dbraw/zinc/82/27/43/585822743.db2.gz DYLJGWKQZWZDJJ-CXTNEJHOSA-N 0 1 249.354 2.218 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)[C@@H](C)[C@H](C)O1 ZINC000782619252 585822799 /nfs/dbraw/zinc/82/27/99/585822799.db2.gz DYLJGWKQZWZDJJ-OSFYFWSMSA-N 0 1 249.354 2.218 20 0 BEADMN CC[C@@H](NC[C@H]1CCC=CO1)c1nccn1C ZINC000783310652 585833524 /nfs/dbraw/zinc/83/35/24/585833524.db2.gz QVQNYLJGNAGEKB-VXGBXAGGSA-N 0 1 235.331 2.154 20 0 BEADMN CC[C@H](NC[C@@H]1CCC=CO1)c1ccn(C)n1 ZINC000783308466 585833561 /nfs/dbraw/zinc/83/35/61/585833561.db2.gz DYOBPUNGGRDKPL-RYUDHWBXSA-N 0 1 235.331 2.154 20 0 BEADMN CC(C)CCCN(CCS(C)(=O)=O)C(C)C ZINC000783569288 585837077 /nfs/dbraw/zinc/83/70/77/585837077.db2.gz JEOHVKQPKUVUFE-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN CO[C@@H]1CN(Cc2ccc(F)nc2)CC[C@@H]1C ZINC000784668112 585865436 /nfs/dbraw/zinc/86/54/36/585865436.db2.gz OUKXOFIFSVORAN-CMPLNLGQSA-N 0 1 238.306 2.078 20 0 BEADMN CC[C@@H](C)COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785743028 585879090 /nfs/dbraw/zinc/87/90/90/585879090.db2.gz KBMSNUNVJGENNU-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCCCN(C)CC(=O)N1CCCCO1 ZINC000785861451 585882314 /nfs/dbraw/zinc/88/23/14/585882314.db2.gz XYWNVOJYUYMCSQ-UHFFFAOYSA-N 0 1 242.363 2.053 20 0 BEADMN CO[C@@H](C)COC(=O)c1c(C)n[nH]c1C(C)C ZINC000786339544 585890021 /nfs/dbraw/zinc/89/00/21/585890021.db2.gz JYGJJOVSHFIMJM-QMMMGPOBSA-N 0 1 240.303 2.033 20 0 BEADMN CCCC(C)(C)CC(=O)OCCc1c[nH]nn1 ZINC000786423906 585891253 /nfs/dbraw/zinc/89/12/53/585891253.db2.gz IKNKNXCNHVOMIK-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CCCC(C)(C)CC(=O)OCCc1cnn[nH]1 ZINC000786423906 585891254 /nfs/dbraw/zinc/89/12/54/585891254.db2.gz IKNKNXCNHVOMIK-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN CO[C@H]1CN(Cc2ccnc(F)c2)CC[C@H]1C ZINC000859270954 589026523 /nfs/dbraw/zinc/02/65/23/589026523.db2.gz ZFZIOAZPSARTLK-PWSUYJOCSA-N 0 1 238.306 2.078 20 0 BEADMN Cc1nc(F)ccc1CN1CCCO[C@H](C)C1 ZINC000787145951 585902276 /nfs/dbraw/zinc/90/22/76/585902276.db2.gz GQIJYIAWPNPCQW-SNVBAGLBSA-N 0 1 238.306 2.140 20 0 BEADMN CC(C)CCOC(=O)[C@@H](C(C)C)N(C)C ZINC000787959636 585917858 /nfs/dbraw/zinc/91/78/58/585917858.db2.gz FPFZMHKLXSHOFQ-LLVKDONJSA-N 0 1 215.337 2.162 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000788703185 585929465 /nfs/dbraw/zinc/92/94/65/585929465.db2.gz DDZDPIZFZOZUPW-ACAGNQJTSA-N 0 1 238.375 2.143 20 0 BEADMN C/C=C(/CC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000788945587 585932030 /nfs/dbraw/zinc/93/20/30/585932030.db2.gz BATAURCXNUABFI-BHGAENKKSA-N 0 1 238.375 2.284 20 0 BEADMN O=C(OCC1CC1)[C@H]1CCCN1C1CCCC1 ZINC000789801673 585950491 /nfs/dbraw/zinc/95/04/91/585950491.db2.gz QIXVIHHRZAKKHE-CYBMUJFWSA-N 0 1 237.343 2.347 20 0 BEADMN CC=C(CC)C(=O)N[C@H](CC)c1ncc[nH]1 ZINC000789849700 585951681 /nfs/dbraw/zinc/95/16/81/585951681.db2.gz UPRBLIPZQBRZQE-ZUYFITGHSA-N 0 1 221.304 2.333 20 0 BEADMN CCCCN(C(=O)c1[nH]nnc1C)[C@@H](C)CC ZINC000789938646 585954203 /nfs/dbraw/zinc/95/42/03/585954203.db2.gz RQLRETOQJWTVTG-VIFPVBQESA-N 0 1 238.335 2.154 20 0 BEADMN CC[C@@H](CC(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000789929457 585954329 /nfs/dbraw/zinc/95/43/29/585954329.db2.gz YEDPDGQHKAVVSX-JTQLQIEISA-N 0 1 244.298 2.327 20 0 BEADMN CC(C)=CCCN[C@H](C)c1nnnn1C1CC1 ZINC000790536617 585965942 /nfs/dbraw/zinc/96/59/42/585965942.db2.gz GLSMXQMDOLVRQL-SNVBAGLBSA-N 0 1 235.335 2.015 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccccc1F ZINC000791572321 585984524 /nfs/dbraw/zinc/98/45/24/585984524.db2.gz DAAURDOIULYVDC-GBIKHYSHSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1cccc(F)c1 ZINC000791577881 585985007 /nfs/dbraw/zinc/98/50/07/585985007.db2.gz OZSSCDARAWZNMI-GIPNMCIBSA-N 0 1 223.291 2.342 20 0 BEADMN CN(Cc1ccoc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792209533 585998127 /nfs/dbraw/zinc/99/81/27/585998127.db2.gz XAOBGIMSXUPWIY-LBPRGKRZSA-N 0 1 249.310 2.197 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)c1ccc2cncn2c1 ZINC000793126724 586011137 /nfs/dbraw/zinc/01/11/37/586011137.db2.gz OUOUCFWVXSRCSJ-MWLCHTKSSA-N 0 1 230.267 2.147 20 0 BEADMN CC(C)C1CN(Cc2ccc(F)nc2)C1 ZINC000793190727 586013672 /nfs/dbraw/zinc/01/36/72/586013672.db2.gz WTFKHGSWEDXYAP-UHFFFAOYSA-N 0 1 208.280 2.309 20 0 BEADMN C[C@@H](OC(=O)c1ccc2cncn2c1)C(F)F ZINC000793277557 586015809 /nfs/dbraw/zinc/01/58/09/586015809.db2.gz HVMOTJGNYIMHKS-SSDOTTSWSA-N 0 1 240.209 2.145 20 0 BEADMN O=C1CC2(CCC2)N1CN1CCC(C2CC2)CC1 ZINC000793629211 586024453 /nfs/dbraw/zinc/02/44/53/586024453.db2.gz BIFZCQVGTMGDNS-UHFFFAOYSA-N 0 1 248.370 2.221 20 0 BEADMN CC(C)CONC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000793731060 586025599 /nfs/dbraw/zinc/02/55/99/586025599.db2.gz PXRFMYWXOWIPKS-GFCCVEGCSA-N 0 1 237.274 2.169 20 0 BEADMN CC(C)ON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000794531354 586041515 /nfs/dbraw/zinc/04/15/15/586041515.db2.gz WPZHBYKYJDGJSM-GHMZBOCLSA-N 0 1 227.352 2.156 20 0 BEADMN CON(Cc1n[nH]c(C(C)C)n1)CC(C)(C)C ZINC000794554894 586044001 /nfs/dbraw/zinc/04/40/01/586044001.db2.gz UAEBOWNLMUEKDI-UHFFFAOYSA-N 0 1 240.351 2.338 20 0 BEADMN CC[C@H](C)CONC(=O)Cc1csc(C)n1 ZINC000794871637 586052640 /nfs/dbraw/zinc/05/26/40/586052640.db2.gz RGUQJDVYPBPJNW-QMMMGPOBSA-N 0 1 242.344 2.088 20 0 BEADMN CC[C@@H](C)CONC(=O)Cc1ccc(C)o1 ZINC000794875495 586053139 /nfs/dbraw/zinc/05/31/39/586053139.db2.gz MVLGMQSEMGTQFF-SECBINFHSA-N 0 1 225.288 2.224 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccnc(F)c2)C1 ZINC000859284406 589028027 /nfs/dbraw/zinc/02/80/27/589028027.db2.gz NLVIHPYUKMKUJL-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CO[C@H]1CCN(Cc2ccnc(F)c2)[C@H](C)C1 ZINC000859294451 589028369 /nfs/dbraw/zinc/02/83/69/589028369.db2.gz TZCJTEWPVSMUMC-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CO[C@@H]1CCN(c2cc[nH+]c3c([O-])cccc23)C1 ZINC000795105880 586068387 /nfs/dbraw/zinc/06/83/87/586068387.db2.gz RGFNCEOKEUWKCQ-SNVBAGLBSA-N 0 1 244.294 2.166 20 0 BEADMN CCCC(N)=NOCC[C@@H](O)c1ccccc1 ZINC000795208453 586071985 /nfs/dbraw/zinc/07/19/85/586071985.db2.gz GOCRDIBOVCJJEO-GFCCVEGCSA-N 0 1 236.315 2.409 20 0 BEADMN C[C@@H]1CCCCN1CC(N)=NOCCCCF ZINC000795210565 586071996 /nfs/dbraw/zinc/07/19/96/586071996.db2.gz UDDCURPJFWNOOK-LLVKDONJSA-N 0 1 245.342 2.109 20 0 BEADMN Cc1nc(COC(=O)C=C2CCC(C)CC2)n[nH]1 ZINC000795411495 586077698 /nfs/dbraw/zinc/07/76/98/586077698.db2.gz FGSLXVIVHSWXJZ-UHFFFAOYSA-N 0 1 249.314 2.293 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@@H](C)C(C)C)n1 ZINC000795411464 586077759 /nfs/dbraw/zinc/07/77/59/586077759.db2.gz DXCHTDZUGHKZOF-VIFPVBQESA-N 0 1 239.319 2.263 20 0 BEADMN CC(C)c1nc(COC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC000795411464 586077760 /nfs/dbraw/zinc/07/77/60/586077760.db2.gz DXCHTDZUGHKZOF-VIFPVBQESA-N 0 1 239.319 2.263 20 0 BEADMN C/C(=C\C(=O)OCc1n[nH]c(C)n1)C(C)(C)C ZINC000795440916 586078846 /nfs/dbraw/zinc/07/88/46/586078846.db2.gz ZTNXTXWPCJDCIK-SOFGYWHQSA-N 0 1 237.303 2.149 20 0 BEADMN CN(CC1CCCC1)[C@H]1CC(C)(C)OC1=O ZINC000795653251 586090154 /nfs/dbraw/zinc/09/01/54/586090154.db2.gz PZROWSGKDJYHDQ-NSHDSACASA-N 0 1 225.332 2.203 20 0 BEADMN CC/C=C/CCN(C)[C@@H]1CC(C)(C)OC1=O ZINC000795686744 586090965 /nfs/dbraw/zinc/09/09/65/586090965.db2.gz ZVFGVZSSZBATJU-XUIVZRPNSA-N 0 1 225.332 2.369 20 0 BEADMN CCc1cc(CNC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000796393404 586102315 /nfs/dbraw/zinc/10/23/15/586102315.db2.gz ZSRWLSARZILYHC-UHFFFAOYSA-N 0 1 235.331 2.025 20 0 BEADMN CCc1cc(CNC(=O)CC[C@H](C)CC)n[nH]1 ZINC000796391848 586102421 /nfs/dbraw/zinc/10/24/21/586102421.db2.gz PZTKSDZJFCSGKQ-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN CCC[N@H+](CCC(C)=O)CCN1CCCCC1 ZINC000796466687 586104321 /nfs/dbraw/zinc/10/43/21/586104321.db2.gz PPTZPHUDBKYVOC-UHFFFAOYSA-N 0 1 240.391 2.163 20 0 BEADMN CCCCCCN(C)[C@@H](C)C(=O)OC ZINC000796612957 586108635 /nfs/dbraw/zinc/10/86/35/586108635.db2.gz PUACAWYHPUMWPO-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN Cc1occc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000796719637 586110619 /nfs/dbraw/zinc/11/06/19/586110619.db2.gz HVZJCWHOLZIRTO-GFCCVEGCSA-N 0 1 231.299 2.478 20 0 BEADMN Cc1ccccc1[C@@H](O)CN[C@H](C)c1ncc[nH]1 ZINC000796760184 586111535 /nfs/dbraw/zinc/11/15/35/586111535.db2.gz LNMUVZWDEBBMFF-YPMHNXCESA-N 0 1 245.326 2.102 20 0 BEADMN CC1=C[C@@H](C)CN(CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000797417656 586126521 /nfs/dbraw/zinc/12/65/21/586126521.db2.gz RCYRSUYNJGKMLN-RISCZKNCSA-N 0 1 248.370 2.100 20 0 BEADMN CC1=C[C@@H](C)CN(CN2CCSC2=S)C1 ZINC000797417602 586126647 /nfs/dbraw/zinc/12/66/47/586126647.db2.gz PSHZQRANVIBBBT-SECBINFHSA-N 0 1 242.413 2.176 20 0 BEADMN C[C@@H](c1cccs1)N(C)CC[S@](C)=O ZINC000798194075 586138515 /nfs/dbraw/zinc/13/85/15/586138515.db2.gz ULGGCKZHYFSMJW-XPTSAGLGSA-N 0 1 231.386 2.119 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1CC[C@@H](C)C1)N(C)C ZINC000798850256 586151611 /nfs/dbraw/zinc/15/16/11/586151611.db2.gz MESHUIVNRLZWIL-WOPDTQHZSA-N 0 1 227.348 2.304 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1(C)CCC1)N(C)C ZINC000798861885 586151794 /nfs/dbraw/zinc/15/17/94/586151794.db2.gz SPGUBOFUQTXCLZ-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN CS[C@@H](C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C ZINC000798865368 586151986 /nfs/dbraw/zinc/15/19/86/586151986.db2.gz YVHLJFGIUVRXTF-DCAQKATOSA-N 0 1 247.404 2.256 20 0 BEADMN CC(C)[C@H](C(=O)OCCC(C)(F)F)N(C)C ZINC000798864577 586152164 /nfs/dbraw/zinc/15/21/64/586152164.db2.gz LAQHFJMYBUMUOG-SECBINFHSA-N 0 1 237.290 2.161 20 0 BEADMN COCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000799327991 586172017 /nfs/dbraw/zinc/17/20/17/586172017.db2.gz BPTPFFNEQIGKIN-UHFFFAOYSA-N 0 1 235.312 2.476 20 0 BEADMN Cc1cc([C@H](C)NC[C@@H]2CCC=CO2)nn1C ZINC000800490081 586222598 /nfs/dbraw/zinc/22/25/98/586222598.db2.gz HBHJVCVOMRZEAN-RYUDHWBXSA-N 0 1 235.331 2.072 20 0 BEADMN CC(C)(C)CCN1CCO[C@@H](C(F)F)C1 ZINC000801560685 586262375 /nfs/dbraw/zinc/26/23/75/586262375.db2.gz LOLKZTFPDWTECU-SECBINFHSA-N 0 1 221.291 2.389 20 0 BEADMN CC(C)CN(CN1CCC(C)(C)C1=O)C1CC1 ZINC000839958375 586295361 /nfs/dbraw/zinc/29/53/61/586295361.db2.gz IULKOHDDJQXEKM-UHFFFAOYSA-N 0 1 238.375 2.323 20 0 BEADMN CC(C)CN(CN1C[C@@H](C)[C@H](C)C1=O)C1CC1 ZINC000839958514 586295919 /nfs/dbraw/zinc/29/59/19/586295919.db2.gz KOIYHLCZOVVWHN-NEPJUHHUSA-N 0 1 238.375 2.179 20 0 BEADMN CCN(CCS(C)(=O)=O)C[C@@H](C)C(C)(C)C ZINC000802641859 586306662 /nfs/dbraw/zinc/30/66/62/586306662.db2.gz JIAIMBRIFVPEID-LLVKDONJSA-N 0 1 249.420 2.035 20 0 BEADMN CCC(CC)CN1CCO[C@H](C(F)F)C1 ZINC000802653733 586308209 /nfs/dbraw/zinc/30/82/09/586308209.db2.gz ROSIACNGFKZRDE-JTQLQIEISA-N 0 1 221.291 2.389 20 0 BEADMN CN(CC1CCCC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839979014 586314931 /nfs/dbraw/zinc/31/49/31/586314931.db2.gz JRQMPYNRQSWKPV-OLZOCXBDSA-N 0 1 236.359 2.077 20 0 BEADMN CCC1(C)CCN(CN2CC[C@H](C)C2=O)CC1 ZINC000839984382 586325707 /nfs/dbraw/zinc/32/57/07/586325707.db2.gz LLLIDMNLNCNTKO-LBPRGKRZSA-N 0 1 238.375 2.324 20 0 BEADMN CC1(C)CCN(CN2CCCC(C)(C)C2)C1=O ZINC000839995812 586337896 /nfs/dbraw/zinc/33/78/96/586337896.db2.gz PGCIDHQBVMTJJJ-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN C[C@H]1C[C@H]1COC(=O)c1c(F)cc(O)cc1F ZINC000859562738 589045489 /nfs/dbraw/zinc/04/54/89/589045489.db2.gz PHEMKPGTIYKCTD-BQBZGAKWSA-N 0 1 242.221 2.483 20 0 BEADMN CC1(C)CCN(CN2CCC3(CCC3)C2)C1=O ZINC000840023135 586382522 /nfs/dbraw/zinc/38/25/22/586382522.db2.gz PAOWRLXYHHMCMX-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CCN1CCN(C(=O)C=C2CCCC2)[C@H](C)C1 ZINC000804378790 586393682 /nfs/dbraw/zinc/39/36/82/586393682.db2.gz BKUAHJPORFMETL-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN C[C@H]1CCN(CN2CC[C@@H](C)C(C)(C)C2)C1=O ZINC000840049580 586399242 /nfs/dbraw/zinc/39/92/42/586399242.db2.gz SONYNGCBCGZVCF-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccsc2)n[nH]1 ZINC000840050840 586399800 /nfs/dbraw/zinc/39/98/00/586399800.db2.gz ZMRNNONCKTWLCG-ZCFIWIBFSA-N 0 1 237.284 2.093 20 0 BEADMN O=C1[C@H]2CCC[C@H]2CN1CN1CCCC2(CC2)C1 ZINC000840051906 586400187 /nfs/dbraw/zinc/40/01/87/586400187.db2.gz DFEJYENGOWFKIN-STQMWFEESA-N 0 1 248.370 2.078 20 0 BEADMN CC1=C(C)CN(CN2CCC(C)(C)C2=O)CC1 ZINC000840060720 586411897 /nfs/dbraw/zinc/41/18/97/586411897.db2.gz OTFBLNAZQPNPDP-UHFFFAOYSA-N 0 1 236.359 2.245 20 0 BEADMN CC1=C[C@H](C)CN(CN2C[C@H]3CCC[C@@H]3C2=O)C1 ZINC000840068146 586415597 /nfs/dbraw/zinc/41/55/97/586415597.db2.gz XPUOWIOWUTVPHF-YUTCNCBUSA-N 0 1 248.370 2.100 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2(C)CCCC2)n[nH]1 ZINC000840070144 586416703 /nfs/dbraw/zinc/41/67/03/586416703.db2.gz ZRWXKZUKEQJIPC-QMMMGPOBSA-N 0 1 237.303 2.298 20 0 BEADMN CC(C)[C@@H](N)c1noc(/C=C/c2cccnc2)n1 ZINC000843148774 586448365 /nfs/dbraw/zinc/44/83/65/586448365.db2.gz WQLXSWAZQMHSIF-BTDICHCPSA-N 0 1 244.298 2.291 20 0 BEADMN CCN(CN1C[C@@](C)(CC)CC1=O)C1CCC1 ZINC000808159819 586465605 /nfs/dbraw/zinc/46/56/05/586465605.db2.gz KOWPGEPBEZMYHE-AWEZNQCLSA-N 0 1 238.375 2.467 20 0 BEADMN CC1=C[C@@H](C)CN(CN2CC(C)(C)CC2=O)C1 ZINC000808183906 586466847 /nfs/dbraw/zinc/46/68/47/586466847.db2.gz PXGIOENNUPXIMM-LLVKDONJSA-N 0 1 236.359 2.100 20 0 BEADMN CC1(C)CCC(=O)N1CN1CCCC2(CC2)C1 ZINC000808178228 586466854 /nfs/dbraw/zinc/46/68/54/586466854.db2.gz FSTKGFYDOGLUTG-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC(C)C(=O)CCN1CC(C)(C)OC(C)(C)C1 ZINC000808749997 586487718 /nfs/dbraw/zinc/48/77/18/586487718.db2.gz ICJHXLURYHCLBE-UHFFFAOYSA-N 0 1 241.375 2.491 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C2CC2)C1 ZINC000808776084 586489572 /nfs/dbraw/zinc/48/95/72/586489572.db2.gz BIQSDAZBGFSGIS-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN Cc1nonc1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000809743716 586516012 /nfs/dbraw/zinc/51/60/12/586516012.db2.gz BBJHRNPTVBOUPY-STQMWFEESA-N 0 1 243.310 2.271 20 0 BEADMN Cc1nonc1CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000809744407 586516457 /nfs/dbraw/zinc/51/64/57/586516457.db2.gz KERWGIMFIGBCJQ-NEPJUHHUSA-N 0 1 235.331 2.436 20 0 BEADMN O[C@H](CCNCc1nccs1)c1ccccc1 ZINC000809747047 586517157 /nfs/dbraw/zinc/51/71/57/586517157.db2.gz HGEHKUFVZMYSSC-GFCCVEGCSA-N 0 1 248.351 2.356 20 0 BEADMN Cc1[nH]ncc1CNc1ccc2c(c1)C(=O)OC2 ZINC000809788798 586520190 /nfs/dbraw/zinc/52/01/90/586520190.db2.gz PRSXBDMNFWRTLP-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CC[C@H](C)[C@@H](C)N(Cc1cnn(C)n1)C1CC1 ZINC000809942233 586524794 /nfs/dbraw/zinc/52/47/94/586524794.db2.gz GHFBRODCYLJAHA-WDEREUQCSA-N 0 1 236.363 2.214 20 0 BEADMN CCC[C@@H]1[C@H](C)CCCN1Cc1cnn(C)n1 ZINC000809963830 586526880 /nfs/dbraw/zinc/52/68/80/586526880.db2.gz DAGSKIDLCDLWPS-DGCLKSJQSA-N 0 1 236.363 2.216 20 0 BEADMN O=C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CC1(Cl)Cl ZINC000809981302 586528127 /nfs/dbraw/zinc/52/81/27/586528127.db2.gz GNJXSANRHVZAII-HLTSFMKQSA-N 0 1 248.153 2.376 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C=C2CCCC2)n[nH]1 ZINC000840214893 586549620 /nfs/dbraw/zinc/54/96/20/586549620.db2.gz GVZFSWUAXVEKEZ-MRVPVSSYSA-N 0 1 235.287 2.218 20 0 BEADMN CCC(C)(C)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840220887 586552740 /nfs/dbraw/zinc/55/27/40/586552740.db2.gz HRBRSMKIVQWKJM-SSDOTTSWSA-N 0 1 225.292 2.154 20 0 BEADMN Cc1cn[nH]c1CNc1cccc2c1COC2=O ZINC000811507640 586560446 /nfs/dbraw/zinc/56/04/46/586560446.db2.gz JSYWODCPRYFGTL-UHFFFAOYSA-N 0 1 243.266 2.001 20 0 BEADMN CC1(C)C(=O)N(CN2CCCCC2)[C@H]1C1CC1 ZINC000811726862 586566431 /nfs/dbraw/zinc/56/64/31/586566431.db2.gz MXEMJSQQIYPLQU-LBPRGKRZSA-N 0 1 236.359 2.077 20 0 BEADMN CCCN(CC)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811741949 586566495 /nfs/dbraw/zinc/56/64/95/586566495.db2.gz VGHGPTMAMQQXMB-LBPRGKRZSA-N 0 1 238.375 2.323 20 0 BEADMN O=C(NOC/C=C\Cl)[C@@H]1Cc2ccccc21 ZINC000812403373 586575973 /nfs/dbraw/zinc/57/59/73/586575973.db2.gz NEGZNZKGEIWSAJ-ZTYXWKCZSA-N 0 1 237.686 2.127 20 0 BEADMN Cc1nc([C@H](C)OC(=O)c2oc(C)cc2C)n[nH]1 ZINC000840255286 586577962 /nfs/dbraw/zinc/57/79/62/586577962.db2.gz BASYBLKCKNIXGJ-QMMMGPOBSA-N 0 1 249.270 2.241 20 0 BEADMN CCN(Cc1ccc(F)nc1C)[C@H]1CCOC1 ZINC000812780605 586584021 /nfs/dbraw/zinc/58/40/21/586584021.db2.gz KGFQAIBCUBUJLN-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN C[C@@H](C(=O)NOC1CCC1)c1cccs1 ZINC000812788810 586584606 /nfs/dbraw/zinc/58/46/06/586584606.db2.gz BJGURSIEYLZWMN-MRVPVSSYSA-N 0 1 225.313 2.452 20 0 BEADMN CC(C)[C@H](C(=O)NOC1CCC1)c1cccnc1 ZINC000812790722 586584981 /nfs/dbraw/zinc/58/49/81/586584981.db2.gz FGKFEWXPMWWNDI-ZDUSSCGKSA-N 0 1 248.326 2.422 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C2/CC[C@@H](C)C2)n[nH]1 ZINC000840275503 586589273 /nfs/dbraw/zinc/58/92/73/586589273.db2.gz XQBGYYUWLHAHJP-VDEVDEQPSA-N 0 1 249.314 2.464 20 0 BEADMN CC[C@H](C(=O)OC1CC(C)C1)N(CC)CC ZINC000813233738 586598387 /nfs/dbraw/zinc/59/83/87/586598387.db2.gz XVYOJZYBQOQRPU-HTAVTVPLSA-N 0 1 227.348 2.449 20 0 BEADMN CN(C[C@H]1CC=CCC1)[C@@H]1CC(C)(C)OC1=O ZINC000814179683 586615838 /nfs/dbraw/zinc/61/58/38/586615838.db2.gz GGVHUMMAFWEPLU-NWDGAFQWSA-N 0 1 237.343 2.369 20 0 BEADMN CC(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814441405 586621937 /nfs/dbraw/zinc/62/19/37/586621937.db2.gz GWKUSBSAGXSONW-UHFFFAOYSA-N 0 1 239.319 2.192 20 0 BEADMN CC(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814441405 586621938 /nfs/dbraw/zinc/62/19/38/586621938.db2.gz GWKUSBSAGXSONW-UHFFFAOYSA-N 0 1 239.319 2.192 20 0 BEADMN C/C=C(\C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814458121 586622146 /nfs/dbraw/zinc/62/21/46/586622146.db2.gz LBASKTOSBGBSQW-SOFGYWHQSA-N 0 1 237.303 2.112 20 0 BEADMN C/C=C(\C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814458121 586622147 /nfs/dbraw/zinc/62/21/47/586622147.db2.gz LBASKTOSBGBSQW-SOFGYWHQSA-N 0 1 237.303 2.112 20 0 BEADMN CO[C@H]1CCCC[C@H]1C(=O)NOC1CCCC1 ZINC000815951264 586699630 /nfs/dbraw/zinc/69/96/30/586699630.db2.gz YZFUIIKEQUQCCX-NEPJUHHUSA-N 0 1 241.331 2.182 20 0 BEADMN Cc1cocc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000859781349 589060772 /nfs/dbraw/zinc/06/07/72/589060772.db2.gz FTXKGRABSGXLNK-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN Cc1cocc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000859781349 589060774 /nfs/dbraw/zinc/06/07/74/589060774.db2.gz FTXKGRABSGXLNK-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN C[C@@H]1C[C@H](C)CN1Cc1cnn(C)c1Cl ZINC000816515189 586738194 /nfs/dbraw/zinc/73/81/94/586738194.db2.gz RRNZCLRSQYCTGN-DTWKUNHWSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cnn(C)c2Cl)C1 ZINC000816515191 586738507 /nfs/dbraw/zinc/73/85/07/586738507.db2.gz RRNZCLRSQYCTGN-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000859809484 589062555 /nfs/dbraw/zinc/06/25/55/589062555.db2.gz USGVRFWJQVFKGC-RWMBFGLXSA-N 0 1 237.343 2.385 20 0 BEADMN Cc1cccc2ncc(CN3C[C@@H](C)[C@@H]3C)n21 ZINC000816646335 586748273 /nfs/dbraw/zinc/74/82/73/586748273.db2.gz CACXIWTUJJGAMD-PWSUYJOCSA-N 0 1 229.327 2.483 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@H](C)[C@@H]1C ZINC000816646609 586748641 /nfs/dbraw/zinc/74/86/41/586748641.db2.gz GJAOSUBHOIDDFS-WPRPVWTQSA-N 0 1 208.280 2.369 20 0 BEADMN CC(C)n1cc(CN2C[C@H](C)[C@@H]2C)cn1 ZINC000816646876 586749257 /nfs/dbraw/zinc/74/92/57/586749257.db2.gz KAMPYHTZORQYPZ-QWRGUYRKSA-N 0 1 207.321 2.304 20 0 BEADMN C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810753 589063041 /nfs/dbraw/zinc/06/30/41/589063041.db2.gz ATLAXRDFBKBQKF-MDZLAQPJSA-N 0 1 243.322 2.311 20 0 BEADMN COCc1ccc(CN2C[C@@H](C)[C@@H]2C)o1 ZINC000816647945 586750193 /nfs/dbraw/zinc/75/01/93/586750193.db2.gz AZLMTPMKFJSYRN-ZJUUUORDSA-N 0 1 209.289 2.266 20 0 BEADMN Cc1cc(C)n2c(CN3C[C@@H](C)[C@@H]3C)cnc2n1 ZINC000816647677 586750534 /nfs/dbraw/zinc/75/05/34/586750534.db2.gz WRZTXYAJCPIFJH-SKDRFNHKSA-N 0 1 244.342 2.186 20 0 BEADMN Cc1cccn2c(CN3C[C@H](C)[C@H]3C)cnc12 ZINC000816649696 586752309 /nfs/dbraw/zinc/75/23/09/586752309.db2.gz HODDNACNQNRICJ-NWDGAFQWSA-N 0 1 229.327 2.483 20 0 BEADMN Cc1sccc1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000859810523 589063208 /nfs/dbraw/zinc/06/32/08/589063208.db2.gz QAPSOJGMEUTXQU-NSHDSACASA-N 0 1 243.303 2.055 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@H]1CC1(Cl)Cl ZINC000816978754 586777261 /nfs/dbraw/zinc/77/72/61/586777261.db2.gz APMKDFAYLFDQNK-RNFRBKRXSA-N 0 1 240.130 2.274 20 0 BEADMN CC[C@@H](C)CONC(=O)[C@@H]1Cc2ccccc21 ZINC000816979225 586777418 /nfs/dbraw/zinc/77/74/18/586777418.db2.gz KLLNFTSOQSMXFA-ZWNOBZJWSA-N 0 1 233.311 2.420 20 0 BEADMN Cc1ccc2nc(NC(=O)C(C)(F)F)[nH]c2c1 ZINC000817017583 586779140 /nfs/dbraw/zinc/77/91/40/586779140.db2.gz UCAPSGXUSICRPU-UHFFFAOYSA-N 0 1 239.225 2.465 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCF ZINC000817279687 586792429 /nfs/dbraw/zinc/79/24/29/586792429.db2.gz SJHYSWNXZJXACZ-GHMZBOCLSA-N 0 1 245.338 2.398 20 0 BEADMN CCC1(CC)CCN(CN2CCCCC2)C1=O ZINC000817359801 586798774 /nfs/dbraw/zinc/79/87/74/586798774.db2.gz FKHRHPRLLBVXPC-UHFFFAOYSA-N 0 1 238.375 2.469 20 0 BEADMN CCN(CN1CCC(CC)(CC)C1=O)C1CC1 ZINC000817359918 586798972 /nfs/dbraw/zinc/79/89/72/586798972.db2.gz GBGAINGIXOQUKL-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN CCn1ncc(CN2CC[C@H](C3CCCC3)C2)n1 ZINC000817414937 586803045 /nfs/dbraw/zinc/80/30/45/586803045.db2.gz MWIUHZITAXUZQJ-ZDUSSCGKSA-N 0 1 248.374 2.310 20 0 BEADMN CCC(=CC(=O)N(C)C[C@@H]1CCC[N@H+]1C)CC ZINC000817491565 586808295 /nfs/dbraw/zinc/80/82/95/586808295.db2.gz QQHNREIAHUSMEL-ZDUSSCGKSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccncc1Cl ZINC000817577297 586812047 /nfs/dbraw/zinc/81/20/47/586812047.db2.gz HOETUZAIPLYLNZ-UWVGGRQHSA-N 0 1 239.750 2.090 20 0 BEADMN CCC(N)=NOCC[C@@H]1CC1(Cl)Cl ZINC000818076876 586869665 /nfs/dbraw/zinc/86/96/65/586869665.db2.gz MWQPNHPDLDVNJG-ZCFIWIBFSA-N 0 1 225.119 2.479 20 0 BEADMN CC[C@H](O)CNCc1ccnc(Cl)c1Cl ZINC000818217798 586879730 /nfs/dbraw/zinc/87/97/30/586879730.db2.gz SVEVODOGMHOQKX-QMMMGPOBSA-N 0 1 249.141 2.249 20 0 BEADMN Cn1c(Cl)nc(Cl)c1CN[C@@H]1CC12CC2 ZINC000818229860 586880859 /nfs/dbraw/zinc/88/08/59/586880859.db2.gz FWBDMOUNFAOLTQ-SSDOTTSWSA-N 0 1 246.141 2.369 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC[C@@H]2C(C)C)n1 ZINC000818344876 586886636 /nfs/dbraw/zinc/88/66/36/586886636.db2.gz HRFCCNGUIMDYAL-VXGBXAGGSA-N 0 1 236.363 2.131 20 0 BEADMN CCn1nc(C)c(CN[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000818346886 586887099 /nfs/dbraw/zinc/88/70/99/586887099.db2.gz VSTIGCGMYTZDAW-OLZOCXBDSA-N 0 1 248.374 2.275 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000818346888 586887225 /nfs/dbraw/zinc/88/72/25/586887225.db2.gz VSTIGCGMYTZDAW-QWHCGFSZSA-N 0 1 248.374 2.275 20 0 BEADMN CCn1nc(C)c(CN[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000818346884 586887738 /nfs/dbraw/zinc/88/77/38/586887738.db2.gz VSTIGCGMYTZDAW-CHWSQXEVSA-N 0 1 248.374 2.275 20 0 BEADMN C[C@@H]1CN(C(=O)C=C2CCCC2)C[C@H](C)N1C ZINC000818626035 586907819 /nfs/dbraw/zinc/90/78/19/586907819.db2.gz DMKNHPIPNGHWIC-TXEJJXNPSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C)c1csc(CNC[C@H](O)C2CC2)n1 ZINC000819171373 586934667 /nfs/dbraw/zinc/93/46/67/586934667.db2.gz VWHCDTQXFAVZOH-NSHDSACASA-N 0 1 240.372 2.127 20 0 BEADMN O=C([O-])CCNc1cc[nH+]c2ccsc21 ZINC000819507597 586971516 /nfs/dbraw/zinc/97/15/16/586971516.db2.gz OLDLATNMEBCMRT-UHFFFAOYSA-N 0 1 222.269 2.183 20 0 BEADMN C/C=C(/C=C/C(=O)N1CCC2(CN(C)C2)C1)CC ZINC000819526044 586973798 /nfs/dbraw/zinc/97/37/98/586973798.db2.gz XYGKYWHRBJDOGY-AUZHDWFHSA-N 0 1 248.370 2.063 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cnccc21 ZINC000819895446 587000921 /nfs/dbraw/zinc/00/09/21/587000921.db2.gz ILPZHHDINDKAFX-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN CCC[C@H](CC)C(=O)NCc1cc(C)[nH]n1 ZINC000819981699 587010486 /nfs/dbraw/zinc/01/04/86/587010486.db2.gz GRBYKVCUKPZKCG-JTQLQIEISA-N 0 1 223.320 2.161 20 0 BEADMN CC[C@H]1CCCN(C(=O)CN2CCCC2)CC1 ZINC000820071483 587016977 /nfs/dbraw/zinc/01/69/77/587016977.db2.gz YBVMBTNXNGVSAC-ZDUSSCGKSA-N 0 1 238.375 2.121 20 0 BEADMN C[C@H](CCC(C)(C)C)NC(=O)CN1CCCC1 ZINC000820116005 587023800 /nfs/dbraw/zinc/02/38/00/587023800.db2.gz NZRLIBPBEORDOQ-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H]1C[C@H](NC(=O)CN2CCCC2)C[C@@H](C)C1 ZINC000820188140 587033380 /nfs/dbraw/zinc/03/33/80/587033380.db2.gz FQDYIZJSKGYJCS-ITGUQSILSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1 ZINC000820330476 587043351 /nfs/dbraw/zinc/04/33/51/587043351.db2.gz WROFBBBNVHOBNP-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000820527721 587052849 /nfs/dbraw/zinc/05/28/49/587052849.db2.gz RDSXRVQPSHJKIM-HBNTYKKESA-N 0 1 247.342 2.160 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc(F)c1O ZINC000820650669 587061962 /nfs/dbraw/zinc/06/19/62/587061962.db2.gz NYYQYOJWQLTAFD-JGVFFNPUSA-N 0 1 223.247 2.012 20 0 BEADMN CCc1nc(C)c(CON=C(N)C(C)C)o1 ZINC000820706536 587067466 /nfs/dbraw/zinc/06/74/66/587067466.db2.gz OYMMIFPQRKTQRG-UHFFFAOYSA-N 0 1 225.292 2.200 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000820976553 587085684 /nfs/dbraw/zinc/08/56/84/587085684.db2.gz ISHDBSALEASROW-GFCCVEGCSA-N 0 1 237.299 2.336 20 0 BEADMN c1[nH]nnc1CCSC1=Nc2ccccc2C1 ZINC000821078100 587094472 /nfs/dbraw/zinc/09/44/72/587094472.db2.gz IEEFJLZKORIBOD-UHFFFAOYSA-N 0 1 244.323 2.367 20 0 BEADMN c1nn[nH]c1CCSC1=Nc2ccccc2C1 ZINC000821078100 587094475 /nfs/dbraw/zinc/09/44/75/587094475.db2.gz IEEFJLZKORIBOD-UHFFFAOYSA-N 0 1 244.323 2.367 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840423961 587101261 /nfs/dbraw/zinc/10/12/61/587101261.db2.gz HMTRHFUUOSBBEK-YIZRAAEISA-N 0 1 239.319 2.400 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C(F)=C2CCC2)n[nH]1 ZINC000821365137 587112302 /nfs/dbraw/zinc/11/23/02/587112302.db2.gz LBIRCVJYNXFCRB-ZCFIWIBFSA-N 0 1 239.250 2.125 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000821511222 587124191 /nfs/dbraw/zinc/12/41/91/587124191.db2.gz DMFSUTSCNYIGDR-LLVKDONJSA-N 0 1 244.294 2.074 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000821524243 587125283 /nfs/dbraw/zinc/12/52/83/587125283.db2.gz WNONBQHHAUUVIO-LBPRGKRZSA-N 0 1 234.299 2.083 20 0 BEADMN Cc1nc[nH]c1C(=O)N1CCc2cc(C)ccc21 ZINC000821561302 587128751 /nfs/dbraw/zinc/12/87/51/587128751.db2.gz IQFSYWBKNZMWPJ-UHFFFAOYSA-N 0 1 241.294 2.229 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@H]1CCC12CCC2)N(C)C ZINC000821793864 587138475 /nfs/dbraw/zinc/13/84/75/587138475.db2.gz HDUQWJCMGFGMDB-RYUDHWBXSA-N 0 1 239.359 2.449 20 0 BEADMN C[C@H]1CCC[C@H](NC(=O)CN2CCCC2)CC1 ZINC000822317993 587161851 /nfs/dbraw/zinc/16/18/51/587161851.db2.gz VMXWFRUPEGUOLG-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(F)c1O ZINC000822480071 587171219 /nfs/dbraw/zinc/17/12/19/587171219.db2.gz VNTUMGVFZQUBRH-QRTLGDNMSA-N 0 1 249.285 2.450 20 0 BEADMN C[N@@H+](C[C@@](C)(O)c1ccccc1)CC1(F)CC1 ZINC000822516340 587172651 /nfs/dbraw/zinc/17/26/51/587172651.db2.gz LODVFURNQNDKPT-CYBMUJFWSA-N 0 1 237.318 2.328 20 0 BEADMN CN(C[C@@](C)(O)c1ccccc1)CC1(F)CC1 ZINC000822516340 587172653 /nfs/dbraw/zinc/17/26/53/587172653.db2.gz LODVFURNQNDKPT-CYBMUJFWSA-N 0 1 237.318 2.328 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCN(C)C(C)(C)C1 ZINC000822671541 587180379 /nfs/dbraw/zinc/18/03/79/587180379.db2.gz MDXXTGFJOOGIHV-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C[C@@H]2C=CCCC2)n[nH]1 ZINC000840473165 587180998 /nfs/dbraw/zinc/18/09/98/587180998.db2.gz RCGUAKITSBOMIS-MWLCHTKSSA-N 0 1 249.314 2.464 20 0 BEADMN CCC[C@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822770631 587185051 /nfs/dbraw/zinc/18/50/51/587185051.db2.gz GYRCJXKXQVXAJM-JLIMGVALSA-N 0 1 221.304 2.396 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(CC)C[C@@H]1C ZINC000822867228 587188373 /nfs/dbraw/zinc/18/83/73/587188373.db2.gz UUJRUJGAJWGKRB-STQMWFEESA-N 0 1 240.391 2.365 20 0 BEADMN CCS[C@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822870320 587190340 /nfs/dbraw/zinc/19/03/40/587190340.db2.gz SPASDWQAVWALEC-BGZDPUMWSA-N 0 1 239.344 2.307 20 0 BEADMN C[Si](C)(C)CN1Cc2cccnc2C1 ZINC000823007406 587197772 /nfs/dbraw/zinc/19/77/72/587197772.db2.gz YEIMTYUCHVGOHB-UHFFFAOYSA-N 0 1 206.365 2.275 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000823187498 587207769 /nfs/dbraw/zinc/20/77/69/587207769.db2.gz HDYJREOXHDFJHK-XQQFMLRXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC[C@H](NC(=O)CN1CCCC1)C(C)(C)C ZINC000823321190 587216422 /nfs/dbraw/zinc/21/64/22/587216422.db2.gz BABRHAHEQMPBDA-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)CN1CCCC1 ZINC000823484917 587225474 /nfs/dbraw/zinc/22/54/74/587225474.db2.gz FYYJXGVXCFLSBW-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@@H](C)C[C@H]1C ZINC000823515274 587228458 /nfs/dbraw/zinc/22/84/58/587228458.db2.gz DSSYIAYFFUSXJV-UTUOFQBUSA-N 0 1 227.348 2.449 20 0 BEADMN Fc1c(CN[C@@H]2CCCOC2)ccnc1Cl ZINC000823788947 587240545 /nfs/dbraw/zinc/24/05/45/587240545.db2.gz HBAVVHFDKLGYHZ-SECBINFHSA-N 0 1 244.697 2.143 20 0 BEADMN Fc1c(CN[C@H]2CCCOC2)ccnc1Cl ZINC000823788949 587240644 /nfs/dbraw/zinc/24/06/44/587240644.db2.gz HBAVVHFDKLGYHZ-VIFPVBQESA-N 0 1 244.697 2.143 20 0 BEADMN CCn1nc(C)c(CNCC2(C(C)C)CC2)n1 ZINC000823961684 587247192 /nfs/dbraw/zinc/24/71/92/587247192.db2.gz VUJMSOUYPACHPB-UHFFFAOYSA-N 0 1 236.363 2.132 20 0 BEADMN CC(C)=CC[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000824038823 587251010 /nfs/dbraw/zinc/25/10/10/587251010.db2.gz NLTWTNHTXZNSMG-UHFFFAOYSA-N 0 1 228.336 2.178 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1CC(C)(C)C1 ZINC000824056903 587252557 /nfs/dbraw/zinc/25/25/57/587252557.db2.gz MRXLWAUGIGGWNR-UHFFFAOYSA-N 0 1 235.331 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000824063892 587252714 /nfs/dbraw/zinc/25/27/14/587252714.db2.gz ROHARBRFQFKOJI-VXGBXAGGSA-N 0 1 249.358 2.359 20 0 BEADMN CC(C)[C@@H](CC[N@@H+](C)C(C)C)NC(=O)[O-] ZINC000824100332 587255829 /nfs/dbraw/zinc/25/58/29/587255829.db2.gz USIALUGMDAVGOP-SNVBAGLBSA-N 0 1 216.325 2.009 20 0 BEADMN CC(C)CC[C@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000824231818 587261756 /nfs/dbraw/zinc/26/17/56/587261756.db2.gz MXFYGIDPGDSXOL-LLVKDONJSA-N 0 1 228.336 2.155 20 0 BEADMN CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824256892 587263578 /nfs/dbraw/zinc/26/35/78/587263578.db2.gz JQLLGJMGCSQHKD-WDEREUQCSA-N 0 1 228.336 2.011 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N1Cc1nn(CC)nc1C ZINC000824395649 587268988 /nfs/dbraw/zinc/26/89/88/587268988.db2.gz IBUCDTFEJUWMKG-ZYHUDNBSSA-N 0 1 236.363 2.369 20 0 BEADMN CC1(C)OCC[C@H]1NCc1coc(C2CC2)n1 ZINC000824625588 587279929 /nfs/dbraw/zinc/27/99/29/587279929.db2.gz KHWSKDPYSAEFKZ-LLVKDONJSA-N 0 1 236.315 2.209 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824629515 587280157 /nfs/dbraw/zinc/28/01/57/587280157.db2.gz UZTAWCDQGUXVQQ-ZSBIGDGJSA-N 0 1 247.342 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)C[C@@H]1CC=CCC1 ZINC000824628533 587280356 /nfs/dbraw/zinc/28/03/56/587280356.db2.gz HDQJLQNYPMUFAJ-LLVKDONJSA-N 0 1 233.315 2.115 20 0 BEADMN Cn1ccc(CNC[C@]2(C)CC2(Cl)Cl)n1 ZINC000824765087 587286423 /nfs/dbraw/zinc/28/64/23/587286423.db2.gz GSCYJCWOONMXSX-VIFPVBQESA-N 0 1 248.157 2.094 20 0 BEADMN C[C@H](CCNC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000824802354 587288380 /nfs/dbraw/zinc/28/83/80/587288380.db2.gz KGMHFVKBDQIEFX-LLVKDONJSA-N 0 1 236.315 2.165 20 0 BEADMN CCc1nc(CN[C@H]2CCCSC2)co1 ZINC000825056687 587301300 /nfs/dbraw/zinc/30/13/00/587301300.db2.gz IXPYWOKHWJPKEZ-VIFPVBQESA-N 0 1 226.345 2.222 20 0 BEADMN CCc1nc(CNC[C@@H]2CCSC2)co1 ZINC000825061270 587301428 /nfs/dbraw/zinc/30/14/28/587301428.db2.gz DFEQXFXGQONYIW-VIFPVBQESA-N 0 1 226.345 2.080 20 0 BEADMN CCc1nc(CNC[C@H]2CCSC2)co1 ZINC000825061268 587301531 /nfs/dbraw/zinc/30/15/31/587301531.db2.gz DFEQXFXGQONYIW-SECBINFHSA-N 0 1 226.345 2.080 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000825266737 587312033 /nfs/dbraw/zinc/31/20/33/587312033.db2.gz WNYGBINYSJFLQD-AETUYUCGSA-N 0 1 246.738 2.107 20 0 BEADMN C/C(=C\C[N@H+]([C@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000825729840 587334579 /nfs/dbraw/zinc/33/45/79/587334579.db2.gz NELAQQFYMAEGTM-TTZKWOQHSA-N 0 1 223.316 2.280 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000825736213 587335466 /nfs/dbraw/zinc/33/54/66/587335466.db2.gz WJBLDFYAXXBFPE-GMMCIKNFSA-N 0 1 245.322 2.334 20 0 BEADMN C/C(=C/C[N@H+]1CCC[C@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742011 587335497 /nfs/dbraw/zinc/33/54/97/587335497.db2.gz VCMXFJAOBFCJTG-GYGFLDJKSA-N 0 1 234.299 2.183 20 0 BEADMN C/C(=C/C[N@@H+]1CCC[C@H]1c1cccn1C)C(=O)[O-] ZINC000825741501 587335541 /nfs/dbraw/zinc/33/55/41/587335541.db2.gz OLHPOPVNZRRXQZ-YLBKJLTLSA-N 0 1 248.326 2.193 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000825742106 587335934 /nfs/dbraw/zinc/33/59/34/587335934.db2.gz VZSXLAISLSBVPL-CDCCAWJDSA-N 0 1 235.283 2.447 20 0 BEADMN C/C(=C/C[N@@H+]1Cc2ccccc2C[C@H]1C)C(=O)[O-] ZINC000825745657 587336316 /nfs/dbraw/zinc/33/63/16/587336316.db2.gz BXZCCYGHQXZAGA-SEVUFMINSA-N 0 1 245.322 2.464 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825871777 587343260 /nfs/dbraw/zinc/34/32/60/587343260.db2.gz HKQZOBGXXJMWIV-GRYCIOLGSA-N 0 1 240.347 2.249 20 0 BEADMN C[C@@H]1CCC[N@@H+](C/C=C/Cl)[C@@H]1CNC(=O)[O-] ZINC000825924292 587345386 /nfs/dbraw/zinc/34/53/86/587345386.db2.gz GRCPLHQVZCRAHR-OTIHIVFHSA-N 0 1 246.738 2.107 20 0 BEADMN C[C@@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)[C@H]1C ZINC000825950326 587346799 /nfs/dbraw/zinc/34/67/99/587346799.db2.gz FWXWAXOQLIXHSR-MNOVXSKESA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[O-] ZINC000825951558 587346884 /nfs/dbraw/zinc/34/68/84/587346884.db2.gz XYHREJZYXUJLIN-LBPRGKRZSA-N 0 1 248.326 2.261 20 0 BEADMN Cc1nnc(NC(=O)c2ccccc2C(C)C)[nH]1 ZINC000826048327 587349565 /nfs/dbraw/zinc/34/95/65/587349565.db2.gz HHCYHPMRQZSTLS-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccccc2C(C)C)n1 ZINC000826048327 587349566 /nfs/dbraw/zinc/34/95/66/587349566.db2.gz HHCYHPMRQZSTLS-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN C[C@@]1(C(=O)NOCC2CCC2)C=CCC1 ZINC000826628234 587357140 /nfs/dbraw/zinc/35/71/40/587357140.db2.gz XZGHTHXSMYVFCA-GFCCVEGCSA-N 0 1 209.289 2.191 20 0 BEADMN CCC[C@H](C)[C@H]1CCC[N@H+]1CCNC(=O)[O-] ZINC000826727421 587360216 /nfs/dbraw/zinc/36/02/16/587360216.db2.gz DWZGECFVXCMHTK-WDEREUQCSA-N 0 1 228.336 2.155 20 0 BEADMN CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826836736 587363671 /nfs/dbraw/zinc/36/36/71/587363671.db2.gz PZRXKOWWXHUVQY-MNOVXSKESA-N 0 1 226.320 2.003 20 0 BEADMN CCCC[N@@H+](C)C1CCC(NC(=O)[O-])CC1 ZINC000826829610 587363736 /nfs/dbraw/zinc/36/37/36/587363736.db2.gz CZKXLSPYHAAJMC-UHFFFAOYSA-N 0 1 228.336 2.297 20 0 BEADMN CCC[N@@H+](CCCF)C1CCN(C(=O)[O-])CC1 ZINC000826911555 587365396 /nfs/dbraw/zinc/36/53/96/587365396.db2.gz AQFWCAZKYYFAEV-UHFFFAOYSA-N 0 1 246.326 2.200 20 0 BEADMN CCC[N@@H+](CCC1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826912414 587365498 /nfs/dbraw/zinc/36/54/98/587365498.db2.gz ZNBKRBPRTMOLMB-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN COC(=O)c1oc(CN[C@@H]2C=CCC2)cc1C ZINC000826940464 587366310 /nfs/dbraw/zinc/36/63/10/587366310.db2.gz DAXOVAGWGXOZAG-SNVBAGLBSA-N 0 1 235.283 2.183 20 0 BEADMN FCC[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000827271156 587374753 /nfs/dbraw/zinc/37/47/53/587374753.db2.gz KGUVCZXLCCEZDP-NSHDSACASA-N 0 1 223.295 2.048 20 0 BEADMN FCC[C@@H]1CCCN(Cc2cncnc2)C1 ZINC000827271156 587374754 /nfs/dbraw/zinc/37/47/54/587374754.db2.gz KGUVCZXLCCEZDP-NSHDSACASA-N 0 1 223.295 2.048 20 0 BEADMN CCC[C@H](O)CN1CCC[C@@H]1c1cc(C)on1 ZINC000827332297 587377139 /nfs/dbraw/zinc/37/71/39/587377139.db2.gz MHJLGHXXCOECHC-WCQYABFASA-N 0 1 238.331 2.281 20 0 BEADMN CCC[C@@H](O)CN1CCC[C@@H]1c1cc(C)on1 ZINC000827332294 587377195 /nfs/dbraw/zinc/37/71/95/587377195.db2.gz MHJLGHXXCOECHC-DGCLKSJQSA-N 0 1 238.331 2.281 20 0 BEADMN C[S@@](=O)CCN1CCC[C@H]1c1ccsc1 ZINC000827406440 587380295 /nfs/dbraw/zinc/38/02/95/587380295.db2.gz LBZJSWACUBDANN-XHDPSFHLSA-N 0 1 243.397 2.264 20 0 BEADMN FC(F)(F)c1cc(CN2CC[C@@H]3C[C@@H]3C2)[nH]n1 ZINC000827507127 587384839 /nfs/dbraw/zinc/38/48/39/587384839.db2.gz VHSILAKFLFHONR-HTQZYQBOSA-N 0 1 245.248 2.270 20 0 BEADMN Cc1cc(CN(C)C2(CO)CC2)cnc1Cl ZINC000827903209 587408656 /nfs/dbraw/zinc/40/86/56/587408656.db2.gz FTNSXITXYXDIMP-UHFFFAOYSA-N 0 1 240.734 2.000 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CCCOC(C)(C)C1 ZINC000827930675 587410448 /nfs/dbraw/zinc/41/04/48/587410448.db2.gz NZKRXOPDYGXXLY-UHFFFAOYSA-N 0 1 241.375 2.493 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827951643 587413127 /nfs/dbraw/zinc/41/31/27/587413127.db2.gz ZGTFOCBVWSBXJA-MFKMUULPSA-N 0 1 237.274 2.246 20 0 BEADMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC000827983895 587414842 /nfs/dbraw/zinc/41/48/42/587414842.db2.gz WVZLIKICPCKCPW-MCIONIFRSA-N 0 1 248.370 2.038 20 0 BEADMN CC(C)CC(=O)CCN1CC[N@H+](C)CC1(C)C ZINC000828122111 587420104 /nfs/dbraw/zinc/42/01/04/587420104.db2.gz JYJQNHOVCANPSE-UHFFFAOYSA-N 0 1 240.391 2.018 20 0 BEADMN CC(C(=O)N1CCN(C)CC1(C)C)=C1CCC1 ZINC000828145790 587421400 /nfs/dbraw/zinc/42/14/00/587421400.db2.gz WWVQCFHCUSEWCU-UHFFFAOYSA-N 0 1 236.359 2.039 20 0 BEADMN C[N@@H+](C/C=C\Cl)C1CCC(NC(=O)[O-])CC1 ZINC000828267684 587429283 /nfs/dbraw/zinc/42/92/83/587429283.db2.gz XXSSHDJQISKAMZ-UQCOIBPSSA-N 0 1 246.738 2.250 20 0 BEADMN NC(=O)c1cnccc1N1CCCCCCCC1 ZINC000829083273 587482555 /nfs/dbraw/zinc/48/25/55/587482555.db2.gz IXJKMKMNDJVVKF-UHFFFAOYSA-N 0 1 247.342 2.341 20 0 BEADMN O=C(NC[C@H]1C=CCC1)c1cccc(F)c1O ZINC000829149259 587485209 /nfs/dbraw/zinc/48/52/09/587485209.db2.gz CZSXASCISPVNCT-VIFPVBQESA-N 0 1 235.258 2.227 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)COC2 ZINC000829475804 587499717 /nfs/dbraw/zinc/49/97/17/587499717.db2.gz FQKSXRFPHQROSW-UHFFFAOYSA-N 0 1 249.310 2.013 20 0 BEADMN CN1CC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC000830134618 587538127 /nfs/dbraw/zinc/53/81/27/587538127.db2.gz FZPXZPXUWJAICG-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)C/C=C(/C)C(=O)[O-] ZINC000830163633 587539915 /nfs/dbraw/zinc/53/99/15/587539915.db2.gz BGARRJZKSFHBQX-YAEJEKNGSA-N 0 1 245.388 2.481 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000830472908 587552444 /nfs/dbraw/zinc/55/24/44/587552444.db2.gz BXUHECULXZFXIK-UTUOFQBUSA-N 0 1 242.363 2.048 20 0 BEADMN Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000830498175 587554326 /nfs/dbraw/zinc/55/43/26/587554326.db2.gz NOUWPWDSJRWDGU-CYBMUJFWSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000830497100 587554712 /nfs/dbraw/zinc/55/47/12/587554712.db2.gz AZZWMBNBGLPCCT-ZDUSSCGKSA-N 0 1 248.326 2.227 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)C(C)(C)C ZINC000830545814 587556868 /nfs/dbraw/zinc/55/68/68/587556868.db2.gz OIABYXNREYWTNO-JTQLQIEISA-N 0 1 215.337 2.449 20 0 BEADMN CCc1cc(CNC(=O)OC2CCCC2)n[nH]1 ZINC000830578769 587559015 /nfs/dbraw/zinc/55/90/15/587559015.db2.gz HLUPSMYPLDMDRY-UHFFFAOYSA-N 0 1 237.303 2.141 20 0 BEADMN Cc1nc([C@H](C)OC(=O)/C=C/C2CCCC2)n[nH]1 ZINC000830787764 587570478 /nfs/dbraw/zinc/57/04/78/587570478.db2.gz IORKLISRBVYWBS-FLOXNTQESA-N 0 1 249.314 2.464 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NCCC1CCC1 ZINC000831184900 587590676 /nfs/dbraw/zinc/59/06/76/587590676.db2.gz XWUREAHMRQLQRM-AWEZNQCLSA-N 0 1 246.354 2.301 20 0 BEADMN CCON(CC)C(=O)c1c(O)cccc1Cl ZINC000831467215 587611338 /nfs/dbraw/zinc/61/13/38/587611338.db2.gz IFJXTVGTWMMRDD-UHFFFAOYSA-N 0 1 243.690 2.459 20 0 BEADMN CCON(CC)C(=O)c1ccc(O)c(Cl)c1 ZINC000831491816 587613890 /nfs/dbraw/zinc/61/38/90/587613890.db2.gz RKNWXKNWSCOWPK-UHFFFAOYSA-N 0 1 243.690 2.459 20 0 BEADMN O=C([O-])N1CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC000831941510 587638155 /nfs/dbraw/zinc/63/81/55/587638155.db2.gz DLOWDLUBVDJOLF-UHFFFAOYSA-N 0 1 238.331 2.003 20 0 BEADMN O=C(NOC1CCC1)[C@H]1CCc2cccc(O)c21 ZINC000832332256 587654798 /nfs/dbraw/zinc/65/47/98/587654798.db2.gz HJXFSNPUDPYZCH-NSHDSACASA-N 0 1 247.294 2.022 20 0 BEADMN CC[C@H]1CN(CC)CCN1C(=O)OC(C)(C)C ZINC000832415907 587658992 /nfs/dbraw/zinc/65/89/92/587658992.db2.gz XJVDYDMSNHSYBQ-NSHDSACASA-N 0 1 242.363 2.338 20 0 BEADMN Cc1ccc(C[NH+]2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000832932763 587694832 /nfs/dbraw/zinc/69/48/32/587694832.db2.gz XDPOEEWEZYTBMR-UHFFFAOYSA-N 0 1 248.326 2.099 20 0 BEADMN Cc1ccc(CC[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832929794 587694931 /nfs/dbraw/zinc/69/49/31/587694931.db2.gz DYIIGWJNDFYGJF-OCCSQVGLSA-N 0 1 247.338 2.190 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000833172958 587700695 /nfs/dbraw/zinc/70/06/95/587700695.db2.gz YAYBYYULHWDNQG-DRZSPHRISA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1C[C@H]2CCC[C@H]21 ZINC000833172620 587700840 /nfs/dbraw/zinc/70/08/40/587700840.db2.gz KNDQCHOFUPWYFJ-WQAKAFBOSA-N 0 1 249.285 2.436 20 0 BEADMN C/C(=C/C[N@@H+](Cc1cccnc1)C1CC1)C(=O)[O-] ZINC000833383597 587712406 /nfs/dbraw/zinc/71/24/06/587712406.db2.gz ONRFWQCNWKXQIG-WDZFZDKYSA-N 0 1 246.310 2.077 20 0 BEADMN CC(C)C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833486432 587717049 /nfs/dbraw/zinc/71/70/49/587717049.db2.gz HYFKLTVIPLBJPC-UHFFFAOYSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549776 587719679 /nfs/dbraw/zinc/71/96/79/587719679.db2.gz OFQHEBLFOHCOGB-SECBINFHSA-N 0 1 248.282 2.499 20 0 BEADMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549776 587719680 /nfs/dbraw/zinc/71/96/80/587719680.db2.gz OFQHEBLFOHCOGB-SECBINFHSA-N 0 1 248.282 2.499 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000833613509 587724207 /nfs/dbraw/zinc/72/42/07/587724207.db2.gz XTILSCNRPNSLTE-WZRBSPASSA-N 0 1 243.322 2.311 20 0 BEADMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833613219 587724560 /nfs/dbraw/zinc/72/45/60/587724560.db2.gz FONQEDZYSNJVFX-VHSXEESVSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)[O-] ZINC000833631153 587725554 /nfs/dbraw/zinc/72/55/54/587725554.db2.gz ACCYGTDDBYYDDU-BDAKNGLRSA-N 0 1 237.274 2.218 20 0 BEADMN C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)CC1CCCC1 ZINC000833694329 587728057 /nfs/dbraw/zinc/72/80/57/587728057.db2.gz FVVJECBDVVDVNJ-UHFFFAOYSA-N 0 1 236.315 2.335 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCCC1 ZINC000833696399 587728709 /nfs/dbraw/zinc/72/87/09/587728709.db2.gz LKFUEUIFULYJPY-UHFFFAOYSA-N 0 1 222.288 2.087 20 0 BEADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000833829081 587734781 /nfs/dbraw/zinc/73/47/81/587734781.db2.gz FIYATZSXMCCUBG-ZYHUDNBSSA-N 0 1 240.347 2.155 20 0 BEADMN CCC[N@@H+](C)CCC1CCN(C(=O)[O-])CC1 ZINC000833853496 587736013 /nfs/dbraw/zinc/73/60/13/587736013.db2.gz MHYUJFNTWDYLBA-UHFFFAOYSA-N 0 1 228.336 2.108 20 0 BEADMN CCCCC[N@H+]1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833853729 587736117 /nfs/dbraw/zinc/73/61/17/587736117.db2.gz SLHJORSFHZANTN-MNOVXSKESA-N 0 1 228.336 2.297 20 0 BEADMN O=C([O-])N[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000834182169 587748420 /nfs/dbraw/zinc/74/84/20/587748420.db2.gz LOVLQWVBCZRFEN-RYUDHWBXSA-N 0 1 238.331 2.075 20 0 BEADMN O=C([O-])Nc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)cn1 ZINC000834258638 587750278 /nfs/dbraw/zinc/75/02/78/587750278.db2.gz ISJWPWYODSPDKO-GHMZBOCLSA-N 0 1 247.298 2.156 20 0 BEADMN O=C([O-])Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cn1 ZINC000834258641 587750356 /nfs/dbraw/zinc/75/03/56/587750356.db2.gz ISJWPWYODSPDKO-QWRGUYRKSA-N 0 1 247.298 2.156 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@H]1OC ZINC000834542875 587759053 /nfs/dbraw/zinc/75/90/53/587759053.db2.gz AUDRBSWGACOYJF-SDDRHHMPSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2cc(F)ncc2F)O1 ZINC000835087238 587781873 /nfs/dbraw/zinc/78/18/73/587781873.db2.gz OKCMLZXOLPJNDC-SCZZXKLOSA-N 0 1 242.269 2.017 20 0 BEADMN Cc1nc(COC(=O)C2(C3CCC3)CCC2)n[nH]1 ZINC000835222253 587790005 /nfs/dbraw/zinc/79/00/05/587790005.db2.gz BYEHJOKVNJVFRC-UHFFFAOYSA-N 0 1 249.314 2.127 20 0 BEADMN CCC/C=C/C(=O)N1CCN(CC)C[C@H]1CC ZINC000836948963 587843708 /nfs/dbraw/zinc/84/37/08/587843708.db2.gz VAKSAQNOIOXHHD-MMQHEFTJSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)C(C)=C(C)C)CC1 ZINC000837008423 587847054 /nfs/dbraw/zinc/84/70/54/587847054.db2.gz SCEIYQKIIYJPHK-LBPRGKRZSA-N 0 1 238.375 2.285 20 0 BEADMN CC[C@@H](C)CONC(=O)C1(COC)CCCC1 ZINC000837667346 587889575 /nfs/dbraw/zinc/88/95/75/587889575.db2.gz VOSIIIVJUIPVGV-LLVKDONJSA-N 0 1 243.347 2.287 20 0 BEADMN COCC1(C(=O)NOCCC2CC2)CCCC1 ZINC000837670006 587889599 /nfs/dbraw/zinc/88/95/99/587889599.db2.gz LDWRIQBMBJXTEA-UHFFFAOYSA-N 0 1 241.331 2.041 20 0 BEADMN C=COc1ccc(NC(=O)[C@H](CC)N(C)C)cc1 ZINC000837761109 587894442 /nfs/dbraw/zinc/89/44/42/587894442.db2.gz KCQMWPKEYCNUAP-ZDUSSCGKSA-N 0 1 248.326 2.488 20 0 BEADMN CCc1occc1C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840543106 587910934 /nfs/dbraw/zinc/91/09/34/587910934.db2.gz XIJSPUOZYNJTQH-ZETCQYMHSA-N 0 1 249.270 2.187 20 0 BEADMN CC1(C)CN(C[C@@H](O)C2CC2)[C@H]1c1cccnc1 ZINC000840766289 587920164 /nfs/dbraw/zinc/92/01/64/587920164.db2.gz LRIIQNIAMNLXRT-KGLIPLIRSA-N 0 1 246.354 2.235 20 0 BEADMN CC1(CC(F)(F)F)CN(C[C@H](O)C2CC2)C1 ZINC000840766225 587920574 /nfs/dbraw/zinc/92/05/74/587920574.db2.gz JNCUWLKCDBKQGL-VIFPVBQESA-N 0 1 237.265 2.032 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)ncc2F)CS1 ZINC000840959301 587932626 /nfs/dbraw/zinc/93/26/26/587932626.db2.gz RNWQSLXLIJHGSV-APPZFPTMSA-N 0 1 244.310 2.343 20 0 BEADMN CCn1nc(C)c(CN2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000841890310 587981885 /nfs/dbraw/zinc/98/18/85/587981885.db2.gz MSMFDCGVLLHBLK-UMNHJUIQSA-N 0 1 236.363 2.083 20 0 BEADMN CC[C@@H](COC(=O)c1cccc2[nH]ncc21)OC ZINC000842095488 587999070 /nfs/dbraw/zinc/99/90/70/587999070.db2.gz UNXXHNQFURTRGT-VIFPVBQESA-N 0 1 248.282 2.145 20 0 BEADMN CC[C@@H](CN(C)Cc1c(C)noc1C)OC ZINC000842147936 588003378 /nfs/dbraw/zinc/00/33/78/588003378.db2.gz NIVRZJFYADZIEE-NSHDSACASA-N 0 1 226.320 2.148 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nc(C)no1 ZINC000842153914 588004171 /nfs/dbraw/zinc/00/41/71/588004171.db2.gz PLFQAPNFGKMCHT-SFGNSQDASA-N 0 1 209.293 2.075 20 0 BEADMN ClC1(Cl)C[C@H]1CCSc1cn[nH]n1 ZINC000842566152 588042741 /nfs/dbraw/zinc/04/27/41/588042741.db2.gz SCMBMJVJDFTGCE-RXMQYKEDSA-N 0 1 238.143 2.481 20 0 BEADMN NC1(c2noc([C@H]3CCC=CO3)n2)CCCC1 ZINC000842591597 588044726 /nfs/dbraw/zinc/04/47/26/588044726.db2.gz AELXMYOMWALQSU-SECBINFHSA-N 0 1 235.287 2.163 20 0 BEADMN CCC1=C(c2nc(C3(N)CCC3)no2)CCCO1 ZINC000842620877 588046315 /nfs/dbraw/zinc/04/63/15/588046315.db2.gz SVDNAXAESGFXPY-UHFFFAOYSA-N 0 1 249.314 2.339 20 0 BEADMN C[C@H]1CCN(CN(C)CCC(C)(C)C)C1=O ZINC000842630339 588047134 /nfs/dbraw/zinc/04/71/34/588047134.db2.gz AXPTVFBQJUDVJS-NSHDSACASA-N 0 1 226.364 2.180 20 0 BEADMN CC(C)[C@@H](F)c1nc([C@@H]2CCCN2)no1 ZINC000842636814 588047751 /nfs/dbraw/zinc/04/77/51/588047751.db2.gz GCCDFPIHOTXWMW-JGVFFNPUSA-N 0 1 213.256 2.161 20 0 BEADMN CCCC(N)=NOCCC[C@H]1CCOC1 ZINC000842648036 588048429 /nfs/dbraw/zinc/04/84/29/588048429.db2.gz MPTHAEGVZNRCBI-JTQLQIEISA-N 0 1 214.309 2.102 20 0 BEADMN Cc1cc(Cl)nc(CN[C@H]2CO[C@H](C)C2)c1 ZINC000842702723 588054381 /nfs/dbraw/zinc/05/43/81/588054381.db2.gz KSEFQTCIADRIOP-MWLCHTKSSA-N 0 1 240.734 2.310 20 0 BEADMN CC[C@@H](C)C[C@H](CO)NCc1nc(C)cs1 ZINC000842755513 588060011 /nfs/dbraw/zinc/06/00/11/588060011.db2.gz FWVZWOAYKCHOES-MWLCHTKSSA-N 0 1 242.388 2.338 20 0 BEADMN CC(C)CO[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000843147598 588086529 /nfs/dbraw/zinc/08/65/29/588086529.db2.gz BNKCRDZRTSRFMM-NXEZZACHSA-N 0 1 241.335 2.459 20 0 BEADMN CC(C)[C@H](N)c1noc(CCC2CCC2)n1 ZINC000843149212 588087858 /nfs/dbraw/zinc/08/78/58/588087858.db2.gz JMTOVSIFUZLWGJ-NSHDSACASA-N 0 1 223.320 2.458 20 0 BEADMN CCNCc1nc(-c2ccc(C)cc2F)no1 ZINC000843211877 588093114 /nfs/dbraw/zinc/09/31/14/588093114.db2.gz FEYLTCINZRKLLF-UHFFFAOYSA-N 0 1 235.262 2.294 20 0 BEADMN CCn1ncc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000843437515 588110343 /nfs/dbraw/zinc/11/03/43/588110343.db2.gz JJBXEAIQTNOBLY-CQSZACIVSA-N 0 1 248.374 2.453 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCNC[C@H]1CCC ZINC000843453929 588112117 /nfs/dbraw/zinc/11/21/17/588112117.db2.gz MSNSSNMRFBXUMY-RSKUSDAESA-N 0 1 238.375 2.333 20 0 BEADMN CCON(C(=O)c1cc(C(C)C)n[nH]1)C(C)C ZINC000844078542 588161267 /nfs/dbraw/zinc/16/12/67/588161267.db2.gz AXPIEYTXXPZOGP-UHFFFAOYSA-N 0 1 239.319 2.335 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC12CCCC2 ZINC000844357820 588187546 /nfs/dbraw/zinc/18/75/46/588187546.db2.gz FTEHNYKKYFVGOQ-NSHDSACASA-N 0 1 225.332 2.347 20 0 BEADMN Cn1ccc(CN2CCC[C@]3(CC3(F)F)C2)n1 ZINC000844439526 588193768 /nfs/dbraw/zinc/19/37/68/588193768.db2.gz JAXURYNXTANFOS-NSHDSACASA-N 0 1 241.285 2.041 20 0 BEADMN C[C@H](c1cccnc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451740 588195372 /nfs/dbraw/zinc/19/53/72/588195372.db2.gz PCPTWBGRIUOJTF-IEBDPFPHSA-N 0 1 224.254 2.340 20 0 BEADMN CC(C)=C(C)C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000844642433 588212174 /nfs/dbraw/zinc/21/21/74/588212174.db2.gz IYLGIDCMYGFUIG-WXHSDQCUSA-N 0 1 238.375 2.282 20 0 BEADMN CC(C)(C)CCc1noc(CC(F)(F)CN)n1 ZINC000844918593 588219339 /nfs/dbraw/zinc/21/93/39/588219339.db2.gz ACEDXNIJJYWSLH-UHFFFAOYSA-N 0 1 247.289 2.185 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)oc1C ZINC000844935371 588219492 /nfs/dbraw/zinc/21/94/92/588219492.db2.gz CNXOJRVKSNKWNE-NSHDSACASA-N 0 1 225.288 2.191 20 0 BEADMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2C2CCC2)n[nH]1 ZINC000845219544 588223994 /nfs/dbraw/zinc/22/39/94/588223994.db2.gz JUTDAQXNJHUHKV-BKDNQFJXSA-N 0 1 249.314 2.154 20 0 BEADMN CCc1nc(SCc2c[nH]nn2)sc1C ZINC000845328060 588226593 /nfs/dbraw/zinc/22/65/93/588226593.db2.gz YRDSTXDQDAFWMU-UHFFFAOYSA-N 0 1 240.357 2.424 20 0 BEADMN CS[C@@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733676 588242833 /nfs/dbraw/zinc/24/28/33/588242833.db2.gz CSLKLBBIPXKRJI-VHSXEESVSA-N 0 1 245.388 2.154 20 0 BEADMN C/C=C(\C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845735600 588243014 /nfs/dbraw/zinc/24/30/14/588243014.db2.gz YJFKFFVOLXRYQC-CDCCAWJDSA-N 0 1 225.332 2.369 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCC(F)F ZINC000845736097 588243071 /nfs/dbraw/zinc/24/30/71/588243071.db2.gz OOSXIISUGWYFSI-SECBINFHSA-N 0 1 249.301 2.448 20 0 BEADMN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccoc1 ZINC000845741746 588243402 /nfs/dbraw/zinc/24/34/02/588243402.db2.gz YCEOUGUMODIIOP-LLVKDONJSA-N 0 1 237.299 2.309 20 0 BEADMN C[C@]1(CCNCc2cocn2)C[C@]1(F)Cl ZINC000846033619 588254149 /nfs/dbraw/zinc/25/41/49/588254149.db2.gz GSLNWAQIFLLLOU-VHSXEESVSA-N 0 1 232.686 2.469 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CCC=CO2)[C@@H](C)CO1 ZINC000846043217 588254709 /nfs/dbraw/zinc/25/47/09/588254709.db2.gz JKVLQVIKLRKQGL-XQQFMLRXSA-N 0 1 225.332 2.178 20 0 BEADMN FC1(F)[C@H]2CN(Cc3cccc4nccn43)C[C@H]21 ZINC000846109503 588257121 /nfs/dbraw/zinc/25/71/21/588257121.db2.gz CZKLAOLNJXGFHP-PHIMTYICSA-N 0 1 249.264 2.031 20 0 BEADMN C[C@H](N[C@H](CO)CCF)c1cccnc1Cl ZINC000846209797 588260201 /nfs/dbraw/zinc/26/02/01/588260201.db2.gz VFYDQSYIDJTMCM-IUCAKERBSA-N 0 1 246.713 2.106 20 0 BEADMN CC/C=C(/F)C(=O)NCCN1CC=C(C)CC1 ZINC000867417846 588264792 /nfs/dbraw/zinc/26/47/92/588264792.db2.gz LFJDRZARWCVEPH-UUILKARUSA-N 0 1 240.322 2.018 20 0 BEADMN CCN(CCCO)Cc1cnc(Cl)c(F)c1 ZINC000846807146 588290044 /nfs/dbraw/zinc/29/00/44/588290044.db2.gz AMCGTAUDZNEEAB-UHFFFAOYSA-N 0 1 246.713 2.078 20 0 BEADMN C[C@@H]1CCOCCN1CC1(Br)CC1 ZINC000846846435 588291831 /nfs/dbraw/zinc/29/18/31/588291831.db2.gz FYYXFDLZIUSTNM-SECBINFHSA-N 0 1 248.164 2.025 20 0 BEADMN CC(=O)C1CCN(Cc2cc(C)ccn2)CC1 ZINC000846944528 588298188 /nfs/dbraw/zinc/29/81/88/588298188.db2.gz UWTCIVBNPCEGSY-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CC[C@H](NCc1cnsn1)[C@H]1CC1(C)C ZINC000846999196 588301141 /nfs/dbraw/zinc/30/11/41/588301141.db2.gz GQPNRKKQVSQEGV-ZJUUUORDSA-N 0 1 225.361 2.452 20 0 BEADMN CS/C=C\C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011756 588347465 /nfs/dbraw/zinc/34/74/65/588347465.db2.gz AMXFUQYESQZYKQ-PLNGDYQASA-N 0 1 238.312 2.207 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1cscn1 ZINC000848013970 588347606 /nfs/dbraw/zinc/34/76/06/588347606.db2.gz BUZRHFAHIRFZEX-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN CC[C@@H]1C[C@H]1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010780 588347661 /nfs/dbraw/zinc/34/76/61/588347661.db2.gz VPNGGKOAEAPWSE-LDYMZIIASA-N 0 1 234.299 2.376 20 0 BEADMN Cn1c(Cl)ncc1CNCCC(F)(F)F ZINC000848541676 588395375 /nfs/dbraw/zinc/39/53/75/588395375.db2.gz STBFAADCUWMFFR-UHFFFAOYSA-N 0 1 241.644 2.116 20 0 BEADMN CC[C@H](N[C@H](C)c1ncc[nH]1)[C@@H]1CCCCO1 ZINC000848568128 588398290 /nfs/dbraw/zinc/39/82/90/588398290.db2.gz YZPGCLPDWUELSC-WOPDTQHZSA-N 0 1 237.347 2.408 20 0 BEADMN CC[C@H](N[C@@H](C)c1ncc[nH]1)[C@H]1CCCCO1 ZINC000848568126 588398499 /nfs/dbraw/zinc/39/84/99/588398499.db2.gz YZPGCLPDWUELSC-SDDRHHMPSA-N 0 1 237.347 2.408 20 0 BEADMN CN[C@@H](C)c1nc(-c2cc(C)oc2C)no1 ZINC000848629055 588402668 /nfs/dbraw/zinc/40/26/68/588402668.db2.gz VWUUTCRYEDVPHU-ZETCQYMHSA-N 0 1 221.260 2.227 20 0 BEADMN CN[C@@H](C)c1nc(-c2c(C)nsc2C)no1 ZINC000848631635 588403049 /nfs/dbraw/zinc/40/30/49/588403049.db2.gz IHNDSLKXAWCXLX-LURJTMIESA-N 0 1 238.316 2.090 20 0 BEADMN CC(C)N(Cc1cnc(Cl)n1C)C1CC1 ZINC000848880513 588416416 /nfs/dbraw/zinc/41/64/16/588416416.db2.gz FXSNVJBUXUZKEM-UHFFFAOYSA-N 0 1 227.739 2.446 20 0 BEADMN Cn1c(CN2C[C@@H]3[C@H](C2)C3(C)C)cnc1Cl ZINC000848888275 588417971 /nfs/dbraw/zinc/41/79/71/588417971.db2.gz QROYPJJXOLZOLY-AOOOYVTPSA-N 0 1 239.750 2.161 20 0 BEADMN COc1ccc(CN2CCC(C(C)=O)CC2)cc1 ZINC000107957733 588421768 /nfs/dbraw/zinc/42/17/68/588421768.db2.gz RWWILHTWWUZODB-UHFFFAOYSA-N 0 1 247.338 2.496 20 0 BEADMN CN(C)Cc1cnc(/C=C/c2cnccn2)s1 ZINC000849245368 588464687 /nfs/dbraw/zinc/46/46/87/588464687.db2.gz IENKKIGIHOIYSV-ONEGZZNKSA-N 0 1 246.339 2.165 20 0 BEADMN CC(C)C[C@H](C)OC(=O)N(C)CC1CN(C)C1 ZINC000849447530 588479581 /nfs/dbraw/zinc/47/95/81/588479581.db2.gz PRJWVVPJVXKPSE-NSHDSACASA-N 0 1 242.363 2.051 20 0 BEADMN CCc1nc([C@H](C)OC(=O)c2occc2C)n[nH]1 ZINC000849642116 588483789 /nfs/dbraw/zinc/48/37/89/588483789.db2.gz JGQRIGVOQFJJHQ-QMMMGPOBSA-N 0 1 249.270 2.187 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC000849745996 588492939 /nfs/dbraw/zinc/49/29/39/588492939.db2.gz CSAPNEKTYGLACP-JGVFFNPUSA-N 0 1 237.303 2.017 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H]2CC2(C)C)n[nH]1 ZINC000849745998 588493066 /nfs/dbraw/zinc/49/30/66/588493066.db2.gz CSAPNEKTYGLACP-YUMQZZPRSA-N 0 1 237.303 2.017 20 0 BEADMN CCc1nc([C@H](C)OC(=O)/C=C\C(C)C)n[nH]1 ZINC000849765155 588495703 /nfs/dbraw/zinc/49/57/03/588495703.db2.gz VWQRMKHFXOXQNW-NMTCXDENSA-N 0 1 237.303 2.184 20 0 BEADMN CCc1nc(SCc2cccc(F)n2)n[nH]1 ZINC000849873770 588506905 /nfs/dbraw/zinc/50/69/05/588506905.db2.gz HUDCSKOSISLNTQ-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN CCc1n[nH]c(SCc2cccc(F)n2)n1 ZINC000849873770 588506906 /nfs/dbraw/zinc/50/69/06/588506906.db2.gz HUDCSKOSISLNTQ-UHFFFAOYSA-N 0 1 238.291 2.194 20 0 BEADMN C[N@@H+](CC1CC1)Cn1nccc1-c1ccncc1 ZINC000109060108 588515402 /nfs/dbraw/zinc/51/54/02/588515402.db2.gz ZBTBQZSXWMAQLA-UHFFFAOYSA-N 0 1 242.326 2.244 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@H]2CCC2(C)C)n[nH]1 ZINC000850070258 588517843 /nfs/dbraw/zinc/51/78/43/588517843.db2.gz SWHZWOLJQFXBRJ-VXNVDRBHSA-N 0 1 237.303 2.154 20 0 BEADMN O[C@H]1C[C@H](NCc2ccncc2)c2ccccc21 ZINC000850369397 588540841 /nfs/dbraw/zinc/54/08/41/588540841.db2.gz JHMMCTOTUULFGH-GJZGRUSLSA-N 0 1 240.306 2.350 20 0 BEADMN FCC1(CF)CC(NCc2cscn2)C1 ZINC000850431539 588546040 /nfs/dbraw/zinc/54/60/40/588546040.db2.gz YKXFTLDXTJBRAJ-UHFFFAOYSA-N 0 1 232.299 2.321 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@H](C)c1ncc[nH]1 ZINC000850494389 588551980 /nfs/dbraw/zinc/55/19/80/588551980.db2.gz OMFJSCMRYZGKCS-PWSUYJOCSA-N 0 1 237.347 2.266 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2C=CCC2)nn1C ZINC000850506518 588553485 /nfs/dbraw/zinc/55/34/85/588553485.db2.gz FIGIAUVUKZGXDF-MNOVXSKESA-N 0 1 205.305 2.098 20 0 BEADMN C1=C[C@@H](N[C@@H]2CCCn3ccnc32)CC1 ZINC000850509554 588554538 /nfs/dbraw/zinc/55/45/38/588554538.db2.gz RKRJYAMQWIJOHQ-GHMZBOCLSA-N 0 1 203.289 2.026 20 0 BEADMN C1=C[C@@H](N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000850510874 588555411 /nfs/dbraw/zinc/55/54/11/588555411.db2.gz XBZREBHILUJUPI-CHWSQXEVSA-N 0 1 240.310 2.202 20 0 BEADMN C1=C[C@H](N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000850510878 588555561 /nfs/dbraw/zinc/55/55/61/588555561.db2.gz XBZREBHILUJUPI-STQMWFEESA-N 0 1 240.310 2.202 20 0 BEADMN c1cn2c(n1)[C@H](N[C@H]1COC3(CCC3)C1)CCC2 ZINC000850523318 588556790 /nfs/dbraw/zinc/55/67/90/588556790.db2.gz FWGQFYAFPXMRFR-VXGBXAGGSA-N 0 1 247.342 2.019 20 0 BEADMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ncc[nH]1 ZINC000850550977 588559574 /nfs/dbraw/zinc/55/95/74/588559574.db2.gz FWAKVWWZCHNRBF-HTQZYQBOSA-N 0 1 229.274 2.352 20 0 BEADMN O=C(OCc1c[nH]nn1)C1[C@H]2CCCCCC[C@H]12 ZINC000851017054 588584643 /nfs/dbraw/zinc/58/46/43/588584643.db2.gz ACQFCKMTPXFMQX-QWRGUYRKSA-N 0 1 249.314 2.064 20 0 BEADMN CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCCF ZINC000851105549 588591395 /nfs/dbraw/zinc/59/13/95/588591395.db2.gz WKOMUYMNYDCLPV-SNVBAGLBSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@]1(C)CC1(F)F)N(C)C ZINC000851258402 588598316 /nfs/dbraw/zinc/59/83/16/588598316.db2.gz LEQRNIISSQBJEN-KOLCDFICSA-N 0 1 249.301 2.161 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1C/C=C/Cl ZINC000851709447 588614911 /nfs/dbraw/zinc/61/49/11/588614911.db2.gz YFKGUJOYAIEBSU-YJGHYDCDSA-N 0 1 231.723 2.313 20 0 BEADMN CN(Cc1ccsc1)C[C@@H]1COC(C)(C)O1 ZINC000851716086 588616327 /nfs/dbraw/zinc/61/63/27/588616327.db2.gz HWUSKONTMSRCNH-LLVKDONJSA-N 0 1 241.356 2.331 20 0 BEADMN Cc1ccc(CN(C)C[C@@H]2COC(C)(C)O2)o1 ZINC000851718611 588616803 /nfs/dbraw/zinc/61/68/03/588616803.db2.gz MSFOQFCITHMUQR-GFCCVEGCSA-N 0 1 239.315 2.171 20 0 BEADMN C[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851718409 588616893 /nfs/dbraw/zinc/61/68/93/588616893.db2.gz JTKMORMPSCHWFC-JTQLQIEISA-N 0 1 208.280 2.453 20 0 BEADMN C[C@@H]1CCN(Cc2cnon2)[C@H]2CCCC[C@H]12 ZINC000851726827 588617843 /nfs/dbraw/zinc/61/78/43/588617843.db2.gz XKOKMPVNXYUCML-RTXFEEFZSA-N 0 1 235.331 2.470 20 0 BEADMN CN(Cc1cccc(F)n1)C[C@H]1CCCCO1 ZINC000851734031 588620119 /nfs/dbraw/zinc/62/01/19/588620119.db2.gz MUVBQJYIWYHDSS-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN CCN(Cc1cc(OC)ns1)C(C)C ZINC000851732933 588620169 /nfs/dbraw/zinc/62/01/69/588620169.db2.gz DPOJYURJZFKZJF-UHFFFAOYSA-N 0 1 214.334 2.382 20 0 BEADMN Cc1occc1CN(C)C[C@@H]1COC(C)(C)O1 ZINC000851736277 588620408 /nfs/dbraw/zinc/62/04/08/588620408.db2.gz OUZQOTAFNIBCGT-GFCCVEGCSA-N 0 1 239.315 2.171 20 0 BEADMN COCC1CCN(Cc2cccc(F)n2)CC1 ZINC000851768383 588625164 /nfs/dbraw/zinc/62/51/64/588625164.db2.gz MFHYBGQAFDUKTH-UHFFFAOYSA-N 0 1 238.306 2.079 20 0 BEADMN FC(F)OCCN1CCC(C(F)(F)F)CC1 ZINC000851789991 588628794 /nfs/dbraw/zinc/62/87/94/588628794.db2.gz GNPHXBUPQLBYMG-UHFFFAOYSA-N 0 1 247.207 2.500 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@@H]1CCOC1 ZINC000851801406 588630892 /nfs/dbraw/zinc/63/08/92/588630892.db2.gz JOWCHEKXUBRXGP-QMMMGPOBSA-N 0 1 224.131 2.274 20 0 BEADMN CN(CC=C(Cl)Cl)C[C@H]1CCOC1 ZINC000851801405 588630901 /nfs/dbraw/zinc/63/09/01/588630901.db2.gz JOWCHEKXUBRXGP-MRVPVSSYSA-N 0 1 224.131 2.274 20 0 BEADMN FC(F)OCC[N@H+]1CCC2(CCC2)C1 ZINC000851807672 588631754 /nfs/dbraw/zinc/63/17/54/588631754.db2.gz GVZYFGFMOBEIDC-UHFFFAOYSA-N 0 1 205.248 2.102 20 0 BEADMN CO[C@@H](CN1CCC[C@H]1c1ncc[nH]1)C1CCC1 ZINC000851887946 588640546 /nfs/dbraw/zinc/64/05/46/588640546.db2.gz YFDNFKMRYKBQQH-STQMWFEESA-N 0 1 249.358 2.362 20 0 BEADMN CCC[C@H]1CCCCN1Cc1cnon1 ZINC000851934662 588645394 /nfs/dbraw/zinc/64/53/94/588645394.db2.gz MTTPQZBIOFFHGX-NSHDSACASA-N 0 1 209.293 2.224 20 0 BEADMN C[C@@H]1CCCC[C@@H]1N(C)Cc1cnon1 ZINC000851965957 588648189 /nfs/dbraw/zinc/64/81/89/588648189.db2.gz AYZORHJZEFMDPQ-KOLCDFICSA-N 0 1 209.293 2.080 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)Cc1cnon1 ZINC000851993147 588653195 /nfs/dbraw/zinc/65/31/95/588653195.db2.gz LZIGPDSRAQIOMF-JTQLQIEISA-N 0 1 223.320 2.470 20 0 BEADMN C[C@H](C1CCCCC1)N(C)Cc1cnon1 ZINC000852018335 588655677 /nfs/dbraw/zinc/65/56/77/588655677.db2.gz LZIGPDSRAQIOMF-SNVBAGLBSA-N 0 1 223.320 2.470 20 0 BEADMN O=C1CC[C@@H](CN2CCC=C(c3ccco3)C2)O1 ZINC000852038057 588656854 /nfs/dbraw/zinc/65/68/54/588656854.db2.gz HRWDDWOUVLYLAF-LBPRGKRZSA-N 0 1 247.294 2.074 20 0 BEADMN Cc1ccoc1CN(C)C[C@H](O)c1ccccn1 ZINC000852076196 588659812 /nfs/dbraw/zinc/65/98/12/588659812.db2.gz GVSKLNIIHYJABE-ZDUSSCGKSA-N 0 1 246.310 2.148 20 0 BEADMN FC(F)OCCN1CCOCC12CCCCC2 ZINC000852141822 588666649 /nfs/dbraw/zinc/66/66/49/588666649.db2.gz RYBFHYQOXJLKQA-UHFFFAOYSA-N 0 1 249.301 2.261 20 0 BEADMN C[C@@H]1[C@H](CO)CCCN1CC=C(Cl)Cl ZINC000852178463 588669644 /nfs/dbraw/zinc/66/96/44/588669644.db2.gz VEKQNGMCUWGNCQ-BDAKNGLRSA-N 0 1 238.158 2.398 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1cccc(Cl)n1 ZINC000852287089 588675656 /nfs/dbraw/zinc/67/56/56/588675656.db2.gz SRLWHDJKSRLDFT-UHFFFAOYSA-N 0 1 236.706 2.090 20 0 BEADMN CN(C/C=C/Cl)[C@H](CO)Cc1ccccc1 ZINC000852289208 588676184 /nfs/dbraw/zinc/67/61/84/588676184.db2.gz LEYYDGKLYIAZIT-LJLILKBBSA-N 0 1 239.746 2.274 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)[C@@H](C)CC ZINC000852292728 588676528 /nfs/dbraw/zinc/67/65/28/588676528.db2.gz HVMCKNQOBBALLH-WDEREUQCSA-N 0 1 215.337 2.449 20 0 BEADMN CN(C/C=C\Cl)[C@@H](CO)Cc1ccccc1 ZINC000852289207 588676543 /nfs/dbraw/zinc/67/65/43/588676543.db2.gz LEYYDGKLYIAZIT-DMTLFAOVSA-N 0 1 239.746 2.274 20 0 BEADMN O=C1CCC2=C(CC[N@@H+](Cc3ccsc3)C2)N1 ZINC000852296577 588677229 /nfs/dbraw/zinc/67/72/29/588677229.db2.gz YCTCNPLEMZTGHF-UHFFFAOYSA-N 0 1 248.351 2.118 20 0 BEADMN O=C1CCC2=C(CCN(Cc3ccsc3)C2)N1 ZINC000852296577 588677230 /nfs/dbraw/zinc/67/72/30/588677230.db2.gz YCTCNPLEMZTGHF-UHFFFAOYSA-N 0 1 248.351 2.118 20 0 BEADMN CCOC(=O)[C@]1(F)C[N@H+](C(C)C)CC12CCC2 ZINC000852318658 588677825 /nfs/dbraw/zinc/67/78/25/588677825.db2.gz VAVDWHRPWVGURV-CYBMUJFWSA-N 0 1 243.322 2.152 20 0 BEADMN CCOC(=O)[C@]1(F)CN(C(C)C)CC12CCC2 ZINC000852318658 588677826 /nfs/dbraw/zinc/67/78/26/588677826.db2.gz VAVDWHRPWVGURV-CYBMUJFWSA-N 0 1 243.322 2.152 20 0 BEADMN CC/C=C\CCN(CCF)CCOC ZINC000852481032 588684285 /nfs/dbraw/zinc/68/42/85/588684285.db2.gz GCANWGZEPLCPRZ-PLNGDYQASA-N 0 1 203.301 2.261 20 0 BEADMN O=C1OCC[C@H]1N1CC[C@H](C2CCCCC2)C1 ZINC000852491306 588685525 /nfs/dbraw/zinc/68/55/25/588685525.db2.gz ZMRCNICQCQEIDJ-QWHCGFSZSA-N 0 1 237.343 2.204 20 0 BEADMN COC(=O)[C@@H]1CCN(CCF)[C@H]2CCCC[C@H]12 ZINC000852496249 588685816 /nfs/dbraw/zinc/68/58/16/588685816.db2.gz NGZLVCPLXHVPJW-UTUOFQBUSA-N 0 1 243.322 2.010 20 0 BEADMN CCC1(CC)CCC[N@@H+](CC2OCCO2)C1 ZINC000852528700 588687688 /nfs/dbraw/zinc/68/76/88/588687688.db2.gz YXFVTNKFDOGGQE-UHFFFAOYSA-N 0 1 227.348 2.262 20 0 BEADMN FC(F)C(F)(F)CN1CC[C@H]2C[C@H]2C1 ZINC000852636348 588693557 /nfs/dbraw/zinc/69/35/57/588693557.db2.gz SFIIKMHQVMPWEP-BQBZGAKWSA-N 0 1 211.202 2.229 20 0 BEADMN CN(c1ccccc1)[C@@H]1CC[N@@H+](CCF)C1 ZINC000852655231 588694219 /nfs/dbraw/zinc/69/42/19/588694219.db2.gz UPABUULHAVPEAI-CYBMUJFWSA-N 0 1 222.307 2.167 20 0 BEADMN CN(c1ccccc1)[C@@H]1CCN(CCF)C1 ZINC000852655231 588694220 /nfs/dbraw/zinc/69/42/20/588694220.db2.gz UPABUULHAVPEAI-CYBMUJFWSA-N 0 1 222.307 2.167 20 0 BEADMN Cl/C=C(\Cl)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852666764 588694355 /nfs/dbraw/zinc/69/43/55/588694355.db2.gz RUUYGQTYCZJTKC-UUJLEXDWSA-N 0 1 236.142 2.274 20 0 BEADMN ClC(Cl)=CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664078 588694361 /nfs/dbraw/zinc/69/43/61/588694361.db2.gz BTNSPLNXSQNGAG-DTWKUNHWSA-N 0 1 236.142 2.274 20 0 BEADMN c1nonc1CN1CCC[C@@H](C2CCC2)C1 ZINC000852672526 588694930 /nfs/dbraw/zinc/69/49/30/588694930.db2.gz FOEXIHVCUGJROO-LLVKDONJSA-N 0 1 221.304 2.082 20 0 BEADMN c1csc(CCN2CCc3nccnc3C2)c1 ZINC000852699673 588696621 /nfs/dbraw/zinc/69/66/21/588696621.db2.gz WESRTKGLDVRKLD-UHFFFAOYSA-N 0 1 245.351 2.139 20 0 BEADMN C(C1CCC1)[C@H]1CCCC[N@H+]1CC1OCCO1 ZINC000852711481 588697031 /nfs/dbraw/zinc/69/70/31/588697031.db2.gz FLACGZISNBVSMI-CYBMUJFWSA-N 0 1 239.359 2.404 20 0 BEADMN CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1cnon1 ZINC000852712291 588697222 /nfs/dbraw/zinc/69/72/22/588697222.db2.gz NRXGDHHEZFMSOO-GXSJLCMTSA-N 0 1 209.293 2.223 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1cnon1 ZINC000852712291 588697223 /nfs/dbraw/zinc/69/72/23/588697223.db2.gz NRXGDHHEZFMSOO-GXSJLCMTSA-N 0 1 209.293 2.223 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C[C@@H]1CC1(C)C ZINC000852771060 588701295 /nfs/dbraw/zinc/70/12/95/588701295.db2.gz AFWYNJQWRCHZLL-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN CC12CC(C1)CN2Cc1cccc(F)n1 ZINC000852787695 588702555 /nfs/dbraw/zinc/70/25/55/588702555.db2.gz XUZFSJPXEUSQMP-UHFFFAOYSA-N 0 1 206.264 2.205 20 0 BEADMN CC(C)CCCCOC(=O)CCc1nc[nH]n1 ZINC000860895599 589126663 /nfs/dbraw/zinc/12/66/63/589126663.db2.gz PUQSHEVQBPMECT-UHFFFAOYSA-N 0 1 239.319 2.107 20 0 BEADMN Cc1cc(C)cc(C(=O)OCCN2CCC2)c1 ZINC000861384647 589162374 /nfs/dbraw/zinc/16/23/74/589162374.db2.gz GAFICVMZABPBFQ-UHFFFAOYSA-N 0 1 233.311 2.166 20 0 BEADMN CCc1ccc(C(=O)OCCN2CCC2)cc1 ZINC000861384587 589162413 /nfs/dbraw/zinc/16/24/13/589162413.db2.gz DCMVCQJCUZYAMQ-UHFFFAOYSA-N 0 1 233.311 2.112 20 0 BEADMN CC(C)C[C@@H](C)CC(=O)OCCN1CCC1 ZINC000861387049 589162491 /nfs/dbraw/zinc/16/24/91/589162491.db2.gz UPAKIIXRXZUNSQ-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN O=C(/C=C\c1cccs1)OCCN1CCC1 ZINC000861385577 589162729 /nfs/dbraw/zinc/16/27/29/589162729.db2.gz WSBFTGRGDPMFKR-PLNGDYQASA-N 0 1 237.324 2.010 20 0 BEADMN O=C(/C=C\C1CCCCC1)OCCN1CCC1 ZINC000861387804 589162922 /nfs/dbraw/zinc/16/29/22/589162922.db2.gz OGUZANOOKVTVMU-FPLPWBNLSA-N 0 1 237.343 2.372 20 0 BEADMN O=C(OCCN1CCC1)[C@H]1CC2CCC1CC2 ZINC000861391793 589164896 /nfs/dbraw/zinc/16/48/96/589164896.db2.gz YLHLNXLGMOBPCB-BPCQOVAHSA-N 0 1 237.343 2.062 20 0 BEADMN CCC(CC)CN(CC)CCS(=O)(=O)CC ZINC000118400024 589169649 /nfs/dbraw/zinc/16/96/49/589169649.db2.gz QEKKBVQWSAMXLC-UHFFFAOYSA-N 0 1 249.420 2.179 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCc2nc[nH]c2C1 ZINC000861760090 589177203 /nfs/dbraw/zinc/17/72/03/589177203.db2.gz TYBLYCQHZYASQF-JXMROGBWSA-N 0 1 233.315 2.041 20 0 BEADMN COc1ccc2c(c1)CC[C@H]2C(=O)NOC(C)C ZINC000861881430 589181567 /nfs/dbraw/zinc/18/15/67/589181567.db2.gz VXLTXFXERYPSMR-CYBMUJFWSA-N 0 1 249.310 2.181 20 0 BEADMN CCSCCSc1nnc(CC)[nH]1 ZINC000118611761 589182884 /nfs/dbraw/zinc/18/28/84/589182884.db2.gz WXVLLTDXNGGADX-UHFFFAOYSA-N 0 1 217.363 2.212 20 0 BEADMN CCSCCSc1nc(CC)n[nH]1 ZINC000118611761 589182885 /nfs/dbraw/zinc/18/28/85/589182885.db2.gz WXVLLTDXNGGADX-UHFFFAOYSA-N 0 1 217.363 2.212 20 0 BEADMN Cc1ncc(CN2CCC(n3cccn3)CC2)o1 ZINC000862236400 589196323 /nfs/dbraw/zinc/19/63/23/589196323.db2.gz UMDLPJORWVASTC-UHFFFAOYSA-N 0 1 246.314 2.017 20 0 BEADMN c1nc(C2CC2)oc1CNCCOC1CCC1 ZINC000862283227 589199429 /nfs/dbraw/zinc/19/94/29/589199429.db2.gz CKWZNQLEJJGHEO-UHFFFAOYSA-N 0 1 236.315 2.211 20 0 BEADMN Cc1ncc(CNC[C@@H](O)c2cccc(C)c2)o1 ZINC000862285554 589199491 /nfs/dbraw/zinc/19/94/91/589199491.db2.gz UUIBHGXJGKIYNR-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN Cc1nc(C)c(CNCCNc2ccccc2)o1 ZINC000862283892 589199669 /nfs/dbraw/zinc/19/96/69/589199669.db2.gz QDTAUPVGMWGSOP-UHFFFAOYSA-N 0 1 245.326 2.493 20 0 BEADMN Cc1ncc(CNCCNc2ccccc2)o1 ZINC000862284186 589199683 /nfs/dbraw/zinc/19/96/83/589199683.db2.gz WYEJIRMQYYZLFY-UHFFFAOYSA-N 0 1 231.299 2.185 20 0 BEADMN Cc1ncc(CN[C@@H](C)[C@H](O)c2ccccc2)o1 ZINC000862368398 589204924 /nfs/dbraw/zinc/20/49/24/589204924.db2.gz HBFUIURPCMMEPP-HZMBPMFUSA-N 0 1 246.310 2.195 20 0 BEADMN Oc1cccc2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000862528714 589217734 /nfs/dbraw/zinc/21/77/34/589217734.db2.gz AXYDCVPRKAOREU-CYBMUJFWSA-N 0 1 245.322 2.443 20 0 BEADMN C/C=C/CNCc1ccc(/C=C/C(=O)OC)o1 ZINC000862531512 589218021 /nfs/dbraw/zinc/21/80/21/589218021.db2.gz ZXQGIURUCWXOON-DYWGDJMRSA-N 0 1 235.283 2.132 20 0 BEADMN C[C@@H](C(=O)NC1(C)CCC(C)(C)CC1)N(C)C ZINC000862967549 589249637 /nfs/dbraw/zinc/24/96/37/589249637.db2.gz NQOHKDBGNOLHRT-NSHDSACASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)C[C@@H]1CCCN([C@@H]2CCOC2=O)C1 ZINC000119394280 589276633 /nfs/dbraw/zinc/27/66/33/589276633.db2.gz PZHOIVGSFGEHJE-NWDGAFQWSA-N 0 1 225.332 2.060 20 0 BEADMN C/C(=C/C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1)C(=O)[O-] ZINC000863471604 589291108 /nfs/dbraw/zinc/29/11/08/589291108.db2.gz WHIPVEMVHDUPAK-NOQGZOHOSA-N 0 1 247.285 2.240 20 0 BEADMN CC(C)(C)C(F)(F)CNCc1cnc[nH]1 ZINC000864050074 589334763 /nfs/dbraw/zinc/33/47/63/589334763.db2.gz SUYTVTPZXCWYIQ-UHFFFAOYSA-N 0 1 217.263 2.181 20 0 BEADMN O=C(Cc1cnc[nH]1)NCC1CCC2(CC2)CC1 ZINC000864076124 589340651 /nfs/dbraw/zinc/34/06/51/589340651.db2.gz ICKVKLSOEYWCEA-UHFFFAOYSA-N 0 1 247.342 2.039 20 0 BEADMN CC/C=C(\F)C(=O)N1CCN(CC(C)C)CC1 ZINC000864611284 589383477 /nfs/dbraw/zinc/38/34/77/589383477.db2.gz AGSQFCAMQUMCTM-XGICHPGQSA-N 0 1 242.338 2.050 20 0 BEADMN CCn1cc(CNCc2ccc(O)c(F)c2)cn1 ZINC000120508165 589422967 /nfs/dbraw/zinc/42/29/67/589422967.db2.gz NWHYIGMFYNAXKZ-UHFFFAOYSA-N 0 1 249.289 2.038 20 0 BEADMN CC1(C)CC[C@H](CSc2cn[nH]n2)OC1 ZINC000865359615 589425365 /nfs/dbraw/zinc/42/53/65/589425365.db2.gz RSBPUFQQMWIUGW-MRVPVSSYSA-N 0 1 227.333 2.102 20 0 BEADMN CSCCNc1ccncc1C(F)(F)F ZINC000865408851 589433526 /nfs/dbraw/zinc/43/35/26/589433526.db2.gz KDAMXMHNOPZEEO-UHFFFAOYSA-N 0 1 236.262 2.297 20 0 BEADMN C[C@H]1CN(c2ccncc2C(F)(F)F)CCO1 ZINC000865423658 589434724 /nfs/dbraw/zinc/43/47/24/589434724.db2.gz NGUDWMXYTZOXIX-QMMMGPOBSA-N 0 1 246.232 2.326 20 0 BEADMN COC[C@H](C)CNc1ccncc1C(F)(F)F ZINC000865469691 589438491 /nfs/dbraw/zinc/43/84/91/589438491.db2.gz SQFHJEGPSCNAAU-MRVPVSSYSA-N 0 1 248.248 2.217 20 0 BEADMN CC(C)=CCNCc1cn(C2CC2)cn1 ZINC000865542416 589444772 /nfs/dbraw/zinc/44/47/72/589444772.db2.gz PCIBEFYOOSCSBH-UHFFFAOYSA-N 0 1 205.305 2.274 20 0 BEADMN C[C@H](O)CCN(C)c1ccncc1C(F)(F)F ZINC000865562454 589446951 /nfs/dbraw/zinc/44/69/51/589446951.db2.gz ZPLMCRKLMLUFFD-QMMMGPOBSA-N 0 1 248.248 2.308 20 0 BEADMN Cc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)on1 ZINC000865571497 589447772 /nfs/dbraw/zinc/44/77/72/589447772.db2.gz OBLNBPQCGVHVNS-FZMZJTMJSA-N 0 1 246.310 2.195 20 0 BEADMN CO[C@@H]1CCN(c2ccncc2C(F)(F)F)C1 ZINC000865584549 589449183 /nfs/dbraw/zinc/44/91/83/589449183.db2.gz WELDTJNLZUKMCF-MRVPVSSYSA-N 0 1 246.232 2.326 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865597961 589449978 /nfs/dbraw/zinc/44/99/78/589449978.db2.gz LEGAMYUAPLBBHS-VDISTLRHSA-N 0 1 249.358 2.264 20 0 BEADMN c1nc(CN[C@@H]2COC3(CCC3)C2)cn1C1CC1 ZINC000865626272 589452124 /nfs/dbraw/zinc/45/21/24/589452124.db2.gz LTEPNMJGYBMORY-NSHDSACASA-N 0 1 247.342 2.019 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)c(F)c1 ZINC000865662043 589454881 /nfs/dbraw/zinc/45/48/81/589454881.db2.gz LMHMKSIRDHFNEU-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CS[C@H]1C[C@H](NCc2ncc(C)s2)C1 ZINC000865733742 589459179 /nfs/dbraw/zinc/45/91/79/589459179.db2.gz SVZNYXZRXWISST-KYZUINATSA-N 0 1 228.386 2.435 20 0 BEADMN Cc1c[nH]c(CNC(C)(C)[C@@H]2CCCCO2)n1 ZINC000865744471 589460506 /nfs/dbraw/zinc/46/05/06/589460506.db2.gz WXGJILAMBYXJDY-NSHDSACASA-N 0 1 237.347 2.155 20 0 BEADMN CCc1cc(CNC(=O)[C@]23C[C@H]2CCCC3)n[nH]1 ZINC000865753142 589460811 /nfs/dbraw/zinc/46/08/11/589460811.db2.gz JYVTVAQAMMDKGV-QMTHXVAHSA-N 0 1 247.342 2.169 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n[nH]1 ZINC000865753278 589461064 /nfs/dbraw/zinc/46/10/64/589461064.db2.gz DERLYANUHSPCEX-VXGBXAGGSA-N 0 1 249.358 2.271 20 0 BEADMN CC[C@@H](CNc1ccncc1C(F)(F)F)OC ZINC000865820298 589463063 /nfs/dbraw/zinc/46/30/63/589463063.db2.gz FESBGYIFKGSWTR-QMMMGPOBSA-N 0 1 248.248 2.359 20 0 BEADMN Cc1c[nH]c(CNC2([C@@H]3CCCCO3)CCC2)n1 ZINC000865856342 589465394 /nfs/dbraw/zinc/46/53/94/589465394.db2.gz GKXCLUFYPLNDIM-LBPRGKRZSA-N 0 1 249.358 2.300 20 0 BEADMN CC1(C)CN(CCc2cccs2)CCO1 ZINC000120953540 589479155 /nfs/dbraw/zinc/47/91/55/589479155.db2.gz DBMIRPYLSRTPRX-UHFFFAOYSA-N 0 1 225.357 2.401 20 0 BEADMN Cc1cc(CN[C@@H](C)CCc2cccnc2)no1 ZINC000866243691 589482514 /nfs/dbraw/zinc/48/25/14/589482514.db2.gz WOFVNYMQAFKCFY-NSHDSACASA-N 0 1 245.326 2.489 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)no1 ZINC000866443961 589492727 /nfs/dbraw/zinc/49/27/27/589492727.db2.gz BODAPSNZHHLFAD-FRVSTRGASA-N 0 1 248.326 2.057 20 0 BEADMN CC[C@H](C)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690338 589512265 /nfs/dbraw/zinc/51/22/65/589512265.db2.gz YXUXHORTNIZQFI-JTQLQIEISA-N 0 1 220.316 2.262 20 0 BEADMN CC/C=C(\F)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000866750366 589517317 /nfs/dbraw/zinc/51/73/17/589517317.db2.gz QDDHPFMCUFILKE-SDZLHINSSA-N 0 1 239.294 2.029 20 0 BEADMN C[C@@H]1C[C@H](C(=O)NOC2CCCCC2)[C@@H](C)O1 ZINC000867548343 589525228 /nfs/dbraw/zinc/52/52/28/589525228.db2.gz SDMAJLHEKFLVSN-FOGDFJRCSA-N 0 1 241.331 2.180 20 0 BEADMN CCCONC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000869085053 589586599 /nfs/dbraw/zinc/58/65/99/589586599.db2.gz RKOLFIMUMVCGMP-JTQLQIEISA-N 0 1 229.320 2.040 20 0 BEADMN C[C@@H](C(=O)N(C)c1cccc2cc[nH]c21)N(C)C ZINC000870821450 589690805 /nfs/dbraw/zinc/69/08/05/589690805.db2.gz UDLCEVWALMXLHC-JTQLQIEISA-N 0 1 245.326 2.081 20 0 BEADMN CC(C)(C)SCSc1c[nH]nn1 ZINC000871656836 589783152 /nfs/dbraw/zinc/78/31/52/589783152.db2.gz YBMLIDSQOGWOEH-UHFFFAOYSA-N 0 1 203.336 2.386 20 0 BEADMN CC(C)(C)SCCCOCCc1c[nH]nn1 ZINC000871752238 589803691 /nfs/dbraw/zinc/80/36/91/589803691.db2.gz GKXCSUWLLQPNLX-UHFFFAOYSA-N 0 1 243.376 2.286 20 0 BEADMN C[C@@H](COCCc1c[nH]nn1)CC(C)(C)C ZINC000871752674 589805353 /nfs/dbraw/zinc/80/53/53/589805353.db2.gz LQQWQBLGYMWXCF-SNVBAGLBSA-N 0 1 225.336 2.436 20 0 BEADMN CC(C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871948004 589838739 /nfs/dbraw/zinc/83/87/39/589838739.db2.gz NYGQFVMQOPSHQO-VIFPVBQESA-N 0 1 208.305 2.419 20 0 BEADMN CCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871945933 589838779 /nfs/dbraw/zinc/83/87/79/589838779.db2.gz DFLFHSLYWSNEJZ-VIFPVBQESA-N 0 1 208.305 2.421 20 0 BEADMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1C1CC1 ZINC000871952718 589841070 /nfs/dbraw/zinc/84/10/70/589841070.db2.gz MHRFXKYJIGEUBP-SNVBAGLBSA-N 0 1 249.701 2.484 20 0 BEADMN COC[C@H](C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871955839 589843373 /nfs/dbraw/zinc/84/33/73/589843373.db2.gz ZFWZVYVCGBAYPP-VHSXEESVSA-N 0 1 238.331 2.046 20 0 BEADMN COC[C@H](C)n1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871955838 589843659 /nfs/dbraw/zinc/84/36/59/589843659.db2.gz ZFWZVYVCGBAYPP-UWVGGRQHSA-N 0 1 238.331 2.046 20 0 BEADMN CC(C)CCc1cc(=O)n(CC(F)F)[nH]1 ZINC000871959858 589844961 /nfs/dbraw/zinc/84/49/61/589844961.db2.gz PYTFOCCGTMNMGR-UHFFFAOYSA-N 0 1 218.247 2.276 20 0 BEADMN CC1(C)CC[C@@H]2C(=O)N(c3cncnc3)N=C2C1 ZINC000871960178 589845329 /nfs/dbraw/zinc/84/53/29/589845329.db2.gz VQXFREBKXPJLJP-JTQLQIEISA-N 0 1 244.298 2.006 20 0 BEADMN CC1(C)CCc2c([nH]n(-c3cncnc3)c2=O)C1 ZINC000871960178 589845332 /nfs/dbraw/zinc/84/53/32/589845332.db2.gz VQXFREBKXPJLJP-JTQLQIEISA-N 0 1 244.298 2.006 20 0 BEADMN Cc1[nH]n(C[C@H]2CCCC2(F)F)c(=O)c1C ZINC000871962625 589847406 /nfs/dbraw/zinc/84/74/06/589847406.db2.gz GPRNZQWRFROFJQ-VXNVDRBHSA-N 0 1 230.258 2.276 20 0 BEADMN C[C@H](NC[C@@H]1CCCO1)c1cc(O)ccc1F ZINC000872016753 589855626 /nfs/dbraw/zinc/85/56/26/589855626.db2.gz ORUFSGPXRWFEJB-ONGXEEELSA-N 0 1 239.290 2.361 20 0 BEADMN COC[C@H](C)N[C@@H](C)c1cccc(O)c1F ZINC000872016278 589855857 /nfs/dbraw/zinc/85/58/57/589855857.db2.gz HHPDZOYZSWANSW-IUCAKERBSA-N 0 1 227.279 2.217 20 0 BEADMN C[C@H](NCCn1ccnc1)c1cc(O)ccc1F ZINC000872018231 589856596 /nfs/dbraw/zinc/85/65/96/589856596.db2.gz KBNUNVXNSULTJU-JTQLQIEISA-N 0 1 249.289 2.079 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccc(O)c2F)n[nH]1 ZINC000872038743 589859298 /nfs/dbraw/zinc/85/92/98/589859298.db2.gz PPZBZYLGXBRUMI-SECBINFHSA-N 0 1 249.289 2.414 20 0 BEADMN COCC1(N[C@@H](C)c2cccc(O)c2F)CC1 ZINC000872058214 589862002 /nfs/dbraw/zinc/86/20/02/589862002.db2.gz OYSXMSAOVHNHAQ-VIFPVBQESA-N 0 1 239.290 2.361 20 0 BEADMN CC[C@@H](NCC(F)(F)CO)C(C)(C)CC ZINC000872063048 589862894 /nfs/dbraw/zinc/86/28/94/589862894.db2.gz MFVDLAQQUQGFHB-SECBINFHSA-N 0 1 223.307 2.418 20 0 BEADMN Cc1nonc1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000872136358 589878806 /nfs/dbraw/zinc/87/88/06/589878806.db2.gz NCJBVHYGNFGXGT-ZJUUUORDSA-N 0 1 223.320 2.292 20 0 BEADMN Cc1nonc1CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000872137331 589879264 /nfs/dbraw/zinc/87/92/64/589879264.db2.gz PMSWBAXGSZZNJU-JFGNBEQYSA-N 0 1 235.331 2.292 20 0 BEADMN CCn1ncc(N[C@H]2CCCc3[nH]ncc32)c1C ZINC000872140027 589880862 /nfs/dbraw/zinc/88/08/62/589880862.db2.gz VWFONSGAYZIZET-NSHDSACASA-N 0 1 245.330 2.424 20 0 BEADMN CCC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166219 589887463 /nfs/dbraw/zinc/88/74/63/589887463.db2.gz DOFDIYCNFWFMJA-UHFFFAOYSA-N 0 1 249.310 2.162 20 0 BEADMN CC(C)(F)CNC[C@@H](O)c1c(F)cccc1F ZINC000872217118 589896040 /nfs/dbraw/zinc/89/60/40/589896040.db2.gz NONAMOOQJOMJPX-SNVBAGLBSA-N 0 1 247.260 2.336 20 0 BEADMN CC(C)(F)CNC[C@H](O)c1c(F)cccc1F ZINC000872217117 589896110 /nfs/dbraw/zinc/89/61/10/589896110.db2.gz NONAMOOQJOMJPX-JTQLQIEISA-N 0 1 247.260 2.336 20 0 BEADMN O[C@@H](CN[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000872236679 589898317 /nfs/dbraw/zinc/89/83/17/589898317.db2.gz SNTUCNZZXQEGJX-OLZOCXBDSA-N 0 1 241.281 2.197 20 0 BEADMN CC(C)CCN(C)CN1CCC2(CCC2)C1=O ZINC000872568765 589952917 /nfs/dbraw/zinc/95/29/17/589952917.db2.gz MDRADHAVHXLLQH-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CN(CN1CCC2(CCC2)C1=O)CC(C)(C)C ZINC000872580191 589954178 /nfs/dbraw/zinc/95/41/78/589954178.db2.gz PCMLNCUIVQMUOK-UHFFFAOYSA-N 0 1 238.375 2.324 20 0 BEADMN CCN(CN1CCC2(CCC2)C1=O)C1CCC1 ZINC000872580736 589954204 /nfs/dbraw/zinc/95/42/04/589954204.db2.gz WCLUGHCAUXQLNB-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN C1=C[C@@H](CCCNc2ncnc3[nH]cnc32)CC1 ZINC000872693990 589962020 /nfs/dbraw/zinc/96/20/20/589962020.db2.gz GCUPWXBEOFJGHH-SNVBAGLBSA-N 0 1 243.314 2.463 20 0 BEADMN O=C1CCN1CN1CCC[C@@H](C2CCC2)CC1 ZINC000872703421 589963892 /nfs/dbraw/zinc/96/38/92/589963892.db2.gz UXQKIIWCSCNNHD-CYBMUJFWSA-N 0 1 236.359 2.078 20 0 BEADMN CCOc1cccc(F)c1CN[C@H](C)CCO ZINC000873057134 589981115 /nfs/dbraw/zinc/98/11/15/589981115.db2.gz NRGFHRGWWQFFDN-SNVBAGLBSA-N 0 1 241.306 2.085 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NC(CF)CF)CCO1 ZINC000873128734 589985337 /nfs/dbraw/zinc/98/53/37/589985337.db2.gz BOJRMWCHQPOBAS-MWLCHTKSSA-N 0 1 235.318 2.477 20 0 BEADMN C[C@]1(CCNCc2ccon2)C[C@@]1(F)Cl ZINC000873133119 589985617 /nfs/dbraw/zinc/98/56/17/589985617.db2.gz DMQLCXBIHBENIZ-UWVGGRQHSA-N 0 1 232.686 2.469 20 0 BEADMN c1csc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)n1 ZINC000873157280 589988166 /nfs/dbraw/zinc/98/81/66/589988166.db2.gz VMZIGQVDSQAJFP-VWYCJHECSA-N 0 1 238.356 2.190 20 0 BEADMN O=c1[nH]c2cc(CNCC3(F)CC3)ccc2o1 ZINC000873172559 589990247 /nfs/dbraw/zinc/99/02/47/589990247.db2.gz CXZPQTGJFJDQFF-UHFFFAOYSA-N 0 1 236.246 2.125 20 0 BEADMN CC[C@H](NCc1ccon1)[C@@H](O)c1ccccc1 ZINC000873194665 589991484 /nfs/dbraw/zinc/99/14/84/589991484.db2.gz ISNHCKZEEVMBKG-KBPBESRZSA-N 0 1 246.310 2.276 20 0 BEADMN CO[C@@H](C)COC(=O)c1c2cn[nH]c2ccc1C ZINC000873488777 590049923 /nfs/dbraw/zinc/04/99/23/590049923.db2.gz VUKBXXPRVQYTDX-VIFPVBQESA-N 0 1 248.282 2.063 20 0 BEADMN COC[C@H](C)OC(=O)c1c2cn[nH]c2ccc1C ZINC000873488583 590050064 /nfs/dbraw/zinc/05/00/64/590050064.db2.gz QVBARNSGZZGKSB-VIFPVBQESA-N 0 1 248.282 2.063 20 0 BEADMN Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)N(C)C ZINC000873899268 590077184 /nfs/dbraw/zinc/07/71/84/590077184.db2.gz CTDBTMQMGABWFS-GFCCVEGCSA-N 0 1 246.354 2.224 20 0 BEADMN CCc1cc(CNC(=O)C2CCC=CCC2)n[nH]1 ZINC000874464423 590113917 /nfs/dbraw/zinc/11/39/17/590113917.db2.gz UPMYCEGEDMHCMO-UHFFFAOYSA-N 0 1 247.342 2.335 20 0 BEADMN O=C(N[C@H]1CC12CCC2)c1cccc2nc[nH]c21 ZINC000874782243 590133021 /nfs/dbraw/zinc/13/30/21/590133021.db2.gz KINHMSTWXOTMFP-NSHDSACASA-N 0 1 241.294 2.235 20 0 BEADMN O=C(NOc1ccccc1F)[C@H]1CC12CC2 ZINC000874911350 590154746 /nfs/dbraw/zinc/15/47/46/590154746.db2.gz RVKWHJUZCHWKLE-MRVPVSSYSA-N 0 1 221.231 2.036 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCCC3(CC3)C2)c1C ZINC000888703027 590188785 /nfs/dbraw/zinc/18/87/85/590188785.db2.gz SPZYBKVMICHMBU-NSHDSACASA-N 0 1 247.342 2.479 20 0 BEADMN CCCN(CCC(C)(C)SC)CC(=O)OC ZINC000876512632 590206053 /nfs/dbraw/zinc/20/60/53/590206053.db2.gz USBNFHNIJLUTES-UHFFFAOYSA-N 0 1 247.404 2.403 20 0 BEADMN CCCn1cc(CN2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000876526581 590208181 /nfs/dbraw/zinc/20/81/81/590208181.db2.gz XNMJQLCEHAFKTR-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN COCCN(C)Cc1cnc2c(F)cccc2c1 ZINC000876563588 590216481 /nfs/dbraw/zinc/21/64/81/590216481.db2.gz BIAQCEOZKFWERX-UHFFFAOYSA-N 0 1 248.301 2.452 20 0 BEADMN COc1cnc(F)c(CN(C)CC2CC2)c1 ZINC000876622660 590222940 /nfs/dbraw/zinc/22/29/40/590222940.db2.gz JTNYVRARFIKFLC-UHFFFAOYSA-N 0 1 224.279 2.071 20 0 BEADMN CCCn1cc(CN2CCC[C@@H]3CCC[C@H]32)nn1 ZINC000876638729 590224698 /nfs/dbraw/zinc/22/46/98/590224698.db2.gz MRVRAYJXAZYHDS-GXTWGEPZSA-N 0 1 248.374 2.453 20 0 BEADMN CCCn1cc(CN(C)CC2CCCC2)nn1 ZINC000876653693 590226119 /nfs/dbraw/zinc/22/61/19/590226119.db2.gz TXKWBMQZAPYEPK-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2CCCC2(C)C)nn1 ZINC000876663077 590227049 /nfs/dbraw/zinc/22/70/49/590227049.db2.gz QEANRNNYOASRTA-UHFFFAOYSA-N 0 1 222.336 2.063 20 0 BEADMN CCCn1cc(CN2CCC[C@@H]2C2CC2)nn1 ZINC000876690314 590231367 /nfs/dbraw/zinc/23/13/67/590231367.db2.gz UUPTUCIVJJBUNW-CYBMUJFWSA-N 0 1 234.347 2.063 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C)[C@@H](C)C2)nn1 ZINC000876745182 590236006 /nfs/dbraw/zinc/23/60/06/590236006.db2.gz GIRXQUMLGFPTSB-NEPJUHHUSA-N 0 1 236.363 2.166 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C)[C@H](C)C2)nn1 ZINC000876745185 590236193 /nfs/dbraw/zinc/23/61/93/590236193.db2.gz GIRXQUMLGFPTSB-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN CCCn1cc(CN2[C@H](C)CC[C@@H]2C)nn1 ZINC000876807521 590244847 /nfs/dbraw/zinc/24/48/47/590244847.db2.gz GBBJRCMVZMGGHW-PHIMTYICSA-N 0 1 222.336 2.061 20 0 BEADMN CCCn1cc(CN2CC[C@@H](C(C)C)C2)nn1 ZINC000876806406 590245041 /nfs/dbraw/zinc/24/50/41/590245041.db2.gz NLPOXPYAJGJSMN-GFCCVEGCSA-N 0 1 236.363 2.166 20 0 BEADMN CC(C)C[C@H](CO)NCc1nc(Cl)cs1 ZINC000876964700 590261934 /nfs/dbraw/zinc/26/19/34/590261934.db2.gz NIVHQIUJZAGYRF-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)[C@@H]1CNCCN1C(=O)/C=C/C(C)(C)C ZINC000876999019 590267437 /nfs/dbraw/zinc/26/74/37/590267437.db2.gz QGWNJARAIYDJQG-SYTKJHMZSA-N 0 1 238.375 2.045 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCNC[C@@H]1C(C)C ZINC000876998602 590267661 /nfs/dbraw/zinc/26/76/61/590267661.db2.gz KETGHQQCNTUVGU-CNELAYHGSA-N 0 1 238.375 2.189 20 0 BEADMN CCc1cc(CNCc2cc(C)ns2)[nH]n1 ZINC000877033860 590271530 /nfs/dbraw/zinc/27/15/30/590271530.db2.gz PXSIQHVIUDNDHA-UHFFFAOYSA-N 0 1 236.344 2.027 20 0 BEADMN CC[C@@H](COC)NCc1nc(Cl)cs1 ZINC000877057275 590275741 /nfs/dbraw/zinc/27/57/41/590275741.db2.gz YYBGGBCDWMAZQX-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN O[C@H]1CCC[C@@H]1CNCc1nc(Cl)cs1 ZINC000877071070 590277521 /nfs/dbraw/zinc/27/75/21/590277521.db2.gz CUJFMVOVGCUXSM-SFYZADRCSA-N 0 1 246.763 2.047 20 0 BEADMN CC[C@](C)(CCO)NCc1nc(Cl)cs1 ZINC000877089284 590280979 /nfs/dbraw/zinc/28/09/79/590280979.db2.gz MAWPSFXAAMZOFO-SNVBAGLBSA-N 0 1 248.779 2.437 20 0 BEADMN Cc1cc(CNC[C@@H]2CC2(Cl)Cl)on1 ZINC000877150310 590292733 /nfs/dbraw/zinc/29/27/33/590292733.db2.gz OGCJTICOVPJEHC-ZETCQYMHSA-N 0 1 235.114 2.266 20 0 BEADMN Cc1cc(CNC[C@H]2CC2(Cl)Cl)on1 ZINC000877150309 590292973 /nfs/dbraw/zinc/29/29/73/590292973.db2.gz OGCJTICOVPJEHC-SSDOTTSWSA-N 0 1 235.114 2.266 20 0 BEADMN C[C@@](CO)(NCc1nc(Cl)cs1)C1CC1 ZINC000877159600 590293824 /nfs/dbraw/zinc/29/38/24/590293824.db2.gz ZLXXXTKPANGXIF-JTQLQIEISA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H](O)C[C@@H](C)NCc1nc(Cl)cs1 ZINC000877195809 590299703 /nfs/dbraw/zinc/29/97/03/590299703.db2.gz NJSFSMTUEFTTAB-RNFRBKRXSA-N 0 1 234.752 2.046 20 0 BEADMN C[C@H]1OCC[C@@]1(C)NCc1nc(Cl)cs1 ZINC000877307297 590310987 /nfs/dbraw/zinc/31/09/87/590310987.db2.gz FQVPSEORVKMLRE-GMSGAONNSA-N 0 1 246.763 2.454 20 0 BEADMN C/C=C\C[C@@H](CO)NCc1nc(Cl)cs1 ZINC000877406218 590323460 /nfs/dbraw/zinc/32/34/60/590323460.db2.gz SEZOVIMLJMXNEY-KZUAUGPASA-N 0 1 246.763 2.213 20 0 BEADMN COc1cnc(F)c(CNCC=C(C)C)c1 ZINC000877472335 590335435 /nfs/dbraw/zinc/33/54/35/590335435.db2.gz PYFKMZCIPMYTMX-UHFFFAOYSA-N 0 1 224.279 2.285 20 0 BEADMN CO[C@H](CNCc1cccnc1F)CC(C)C ZINC000877489601 590340218 /nfs/dbraw/zinc/34/02/18/590340218.db2.gz WAUMJGOZAWJAJM-LBPRGKRZSA-N 0 1 240.322 2.371 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1nc(Cl)cs1 ZINC000877539437 590350845 /nfs/dbraw/zinc/35/08/45/590350845.db2.gz NFCJQPRCBRPWNC-SNVBAGLBSA-N 0 1 248.779 2.293 20 0 BEADMN ClC1(Cl)C[C@H]1CN1CC2(CC2)C1 ZINC000877556665 590357523 /nfs/dbraw/zinc/35/75/23/590357523.db2.gz WJONNTSRXAVNBN-ZETCQYMHSA-N 0 1 206.116 2.276 20 0 BEADMN COc1cnc(F)c(CNCCC(C)(F)F)c1 ZINC000877557823 590358429 /nfs/dbraw/zinc/35/84/29/590358429.db2.gz QHGDKQGUGGKLKD-UHFFFAOYSA-N 0 1 248.248 2.364 20 0 BEADMN CC1(C)OCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877562431 590360044 /nfs/dbraw/zinc/36/00/44/590360044.db2.gz ZWCMDOLVWKEOHN-ZETCQYMHSA-N 0 1 246.763 2.454 20 0 BEADMN CC/C=C\CNCc1ccc(Cl)nn1 ZINC000877564001 590361301 /nfs/dbraw/zinc/36/13/01/590361301.db2.gz SYVZMPYKYBPJLF-ARJAWSKDSA-N 0 1 211.696 2.186 20 0 BEADMN CCc1nc(CN[C@H]2CS[C@H](C)C2)co1 ZINC000877569977 590361992 /nfs/dbraw/zinc/36/19/92/590361992.db2.gz BZNYPFOBAMHYCN-RKDXNWHRSA-N 0 1 226.345 2.221 20 0 BEADMN OCC1(CCNCc2nc(Cl)cs2)CC1 ZINC000877570450 590362337 /nfs/dbraw/zinc/36/23/37/590362337.db2.gz IIYKILBTOYVUOF-UHFFFAOYSA-N 0 1 246.763 2.049 20 0 BEADMN C[C@@H]1CC[C@@H](CNCc2nc(Cl)cs2)O1 ZINC000877579329 590363653 /nfs/dbraw/zinc/36/36/53/590363653.db2.gz XSXWTSGHICUHQL-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN COc1cnc(F)c(CN[C@H]2C=CCC2)c1 ZINC000877623828 590377078 /nfs/dbraw/zinc/37/70/78/590377078.db2.gz BBDHNYVXUIJBIG-JTQLQIEISA-N 0 1 222.263 2.038 20 0 BEADMN FC(F)c1ccc(CNC2CSC2)cn1 ZINC000877633566 590378887 /nfs/dbraw/zinc/37/88/87/590378887.db2.gz BGSDAMZWYDUBIB-UHFFFAOYSA-N 0 1 230.283 2.224 20 0 BEADMN Cc1cc(CN2CC(c3ccccc3)C2)n(C)n1 ZINC000877666177 590388709 /nfs/dbraw/zinc/38/87/09/590388709.db2.gz ZBYBKLIUXGMLJG-UHFFFAOYSA-N 0 1 241.338 2.328 20 0 BEADMN Cc1cc(CNC(C)(C)[C@H]2CCCCO2)no1 ZINC000877702488 590395749 /nfs/dbraw/zinc/39/57/49/590395749.db2.gz UXIMHRFSTVKHCQ-GFCCVEGCSA-N 0 1 238.331 2.420 20 0 BEADMN Cn1ncc(CN2CCC[C@@H](C3CCC3)CC2)n1 ZINC000877703563 590397106 /nfs/dbraw/zinc/39/71/06/590397106.db2.gz OQUFHFYEUBDOPI-CYBMUJFWSA-N 0 1 248.374 2.217 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)nn1 ZINC000877717995 590399325 /nfs/dbraw/zinc/39/93/25/590399325.db2.gz BMRPXYFHRZLPCJ-BETUJISGSA-N 0 1 246.358 2.257 20 0 BEADMN COCc1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)no1 ZINC000877718311 590399774 /nfs/dbraw/zinc/39/97/74/590399774.db2.gz HOGKQVYSCOVQGP-TXEJJXNPSA-N 0 1 248.326 2.219 20 0 BEADMN c1csc(CN2CC[C@H]3CSC[C@@H]3C2)n1 ZINC000877737945 590404540 /nfs/dbraw/zinc/40/45/40/590404540.db2.gz JAIPPNMWVQEBLU-UWVGGRQHSA-N 0 1 240.397 2.328 20 0 BEADMN c1csc(CN2CC[C@@H]3CSC[C@H]3C2)n1 ZINC000877737944 590405760 /nfs/dbraw/zinc/40/57/60/590405760.db2.gz JAIPPNMWVQEBLU-NXEZZACHSA-N 0 1 240.397 2.328 20 0 BEADMN CO[C@@](C)(CN1CC(OC(C)(C)C)C1)C1CC1 ZINC000877770317 590421384 /nfs/dbraw/zinc/42/13/84/590421384.db2.gz SDDZUBAMDDAUDN-AWEZNQCLSA-N 0 1 241.375 2.301 20 0 BEADMN COC1(CN2CC(OC(C)(C)C)C2)CCCC1 ZINC000877770353 590421431 /nfs/dbraw/zinc/42/14/31/590421431.db2.gz USDQBELOJGHMOG-UHFFFAOYSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@@H](C[C@@H](C)O)NCc1nc(Cl)cs1 ZINC000877778149 590421929 /nfs/dbraw/zinc/42/19/29/590421929.db2.gz KKDURFQLLOAFIA-SFYZADRCSA-N 0 1 248.779 2.436 20 0 BEADMN Cc1cc(CNCC[C@H](O)C2CCCC2)no1 ZINC000877778613 590422850 /nfs/dbraw/zinc/42/28/50/590422850.db2.gz OYYZUSFKMOSBMA-ZDUSSCGKSA-N 0 1 238.331 2.014 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877896348 590441718 /nfs/dbraw/zinc/44/17/18/590441718.db2.gz XTKLIZWTPCYUFG-NEPJUHHUSA-N 0 1 227.348 2.055 20 0 BEADMN CCN1CC[C@H]1CNC(=O)Nc1ccccc1C ZINC000877897159 590441669 /nfs/dbraw/zinc/44/16/69/590441669.db2.gz FCGSGZDPOJCXTL-LBPRGKRZSA-N 0 1 247.342 2.211 20 0 BEADMN C=C/C=C/CC[NH+]1CCN(CC(C)C)CC1 ZINC000877894485 590441889 /nfs/dbraw/zinc/44/18/89/590441889.db2.gz OPOHGVGOZUKNFW-AATRIKPKSA-N 0 1 222.376 2.392 20 0 BEADMN C[C@H]1CN(C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000877896350 590441970 /nfs/dbraw/zinc/44/19/70/590441970.db2.gz XTKLIZWTPCYUFG-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H](C)O1 ZINC000877901581 590443668 /nfs/dbraw/zinc/44/36/68/590443668.db2.gz OXCZKKZYSZAHRR-NDKCEZKHSA-N 0 1 239.359 2.053 20 0 BEADMN C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)C[C@H](C)O1 ZINC000877901082 590443801 /nfs/dbraw/zinc/44/38/01/590443801.db2.gz GLNNHZNAYKTQJZ-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)C[C@H](C)O1 ZINC000877901082 590443804 /nfs/dbraw/zinc/44/38/04/590443804.db2.gz GLNNHZNAYKTQJZ-FRRDWIJNSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)[C@@H](C)CO1 ZINC000877920797 590447663 /nfs/dbraw/zinc/44/76/63/590447663.db2.gz XFSXBLOGXCPGBW-YNEHKIRRSA-N 0 1 239.359 2.055 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000877922155 590448446 /nfs/dbraw/zinc/44/84/46/590448446.db2.gz ICKYMXTXLAGBDR-NRUUGDAUSA-N 0 1 249.358 2.380 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1nccn1CC(F)F ZINC000877929903 590449739 /nfs/dbraw/zinc/44/97/39/590449739.db2.gz QEWYDPCMBKTTRA-VIFPVBQESA-N 0 1 243.301 2.379 20 0 BEADMN CCN(C#N)CC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000877937542 590452826 /nfs/dbraw/zinc/45/28/26/590452826.db2.gz NLUMBMLLARPQHP-ZDUSSCGKSA-N 0 1 243.354 2.409 20 0 BEADMN CCN(C#N)CCN1Cc2ccccc2[C@@H](C)C1 ZINC000877937542 590452828 /nfs/dbraw/zinc/45/28/28/590452828.db2.gz NLUMBMLLARPQHP-ZDUSSCGKSA-N 0 1 243.354 2.409 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)N(C)C)CC(C)(C)C ZINC000877940040 590453318 /nfs/dbraw/zinc/45/33/18/590453318.db2.gz GTJUBHUEGHESCG-NSHDSACASA-N 0 1 228.380 2.079 20 0 BEADMN C[N@@H+](CCO)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000877949457 590454637 /nfs/dbraw/zinc/45/46/37/590454637.db2.gz GGVCBUCRHYWTHN-LSDHHAIUSA-N 0 1 249.354 2.221 20 0 BEADMN CO[C@H]1C[C@@H](C[N@H+]2CCOc3ccccc3C2)C1 ZINC000877984789 590465698 /nfs/dbraw/zinc/46/56/98/590465698.db2.gz OHQWSBWGZVGUPE-XBXGTLAGSA-N 0 1 247.338 2.306 20 0 BEADMN CCN(CC(=O)Nc1ncccc1C)C(C)C ZINC000877983475 590466010 /nfs/dbraw/zinc/46/60/10/590466010.db2.gz MLJYOWMTUUVNGX-UHFFFAOYSA-N 0 1 235.331 2.059 20 0 BEADMN CC(C)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878000869 590467698 /nfs/dbraw/zinc/46/76/98/590467698.db2.gz IJKLEIGUZUVZAU-UHFFFAOYSA-N 0 1 231.290 2.236 20 0 BEADMN CC(C)CN(C)Cc1nccn1CC(F)F ZINC000878000869 590467699 /nfs/dbraw/zinc/46/76/99/590467699.db2.gz IJKLEIGUZUVZAU-UHFFFAOYSA-N 0 1 231.290 2.236 20 0 BEADMN CC1(C)COCCN1C[C@H]1CCC2(CCC2)O1 ZINC000877995513 590469183 /nfs/dbraw/zinc/46/91/83/590469183.db2.gz HZZHCCFHARHXKY-GFCCVEGCSA-N 0 1 239.359 2.199 20 0 BEADMN C[C@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878030831 590474858 /nfs/dbraw/zinc/47/48/58/590474858.db2.gz JHJINADUWGNGBJ-JTQLQIEISA-N 0 1 220.316 2.395 20 0 BEADMN CCN(Cc1nccn1CC(F)F)CC1CC1 ZINC000878098361 590492931 /nfs/dbraw/zinc/49/29/31/590492931.db2.gz XHDZYBRACHFVMQ-UHFFFAOYSA-N 0 1 243.301 2.380 20 0 BEADMN Cc1cccnc1NC(=O)CN1CC[C@H](C)[C@H]1C ZINC000878163727 590511980 /nfs/dbraw/zinc/51/19/80/590511980.db2.gz BOKWRENYVXOOBN-CMPLNLGQSA-N 0 1 247.342 2.059 20 0 BEADMN CN(CCCC1CC1)Cc1cnccn1 ZINC000878171048 590515374 /nfs/dbraw/zinc/51/53/74/590515374.db2.gz YANVGUNAJMRDLS-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN COC(=O)CN(CC1CC2(CCC2)C1)C1CC1 ZINC000878175019 590516035 /nfs/dbraw/zinc/51/60/35/590516035.db2.gz WGWBIGSXLWDOCI-UHFFFAOYSA-N 0 1 237.343 2.204 20 0 BEADMN CCCN(CC)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878181257 590517156 /nfs/dbraw/zinc/51/71/56/590517156.db2.gz MVALUIWJFQJWKN-GXFFZTMASA-N 0 1 249.358 2.334 20 0 BEADMN CC[C@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000878182642 590517907 /nfs/dbraw/zinc/51/79/07/590517907.db2.gz PABYYJNZWGCCMT-LBPRGKRZSA-N 0 1 247.342 2.060 20 0 BEADMN C[C@@H]1OCCN(C[C@H]2CCC3(CCC3)O2)[C@H]1C ZINC000878196413 590521519 /nfs/dbraw/zinc/52/15/19/590521519.db2.gz AFSFUSDCYNEITO-RWMBFGLXSA-N 0 1 239.359 2.197 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@@H]1CCCC(C)(C)O1 ZINC000878197840 590522618 /nfs/dbraw/zinc/52/26/18/590522618.db2.gz QLLRAQZOAXVALH-AGIUHOORSA-N 0 1 241.375 2.443 20 0 BEADMN COC(=O)CN(CC1CC2(CCC2)C1)C(C)C ZINC000878215682 590525132 /nfs/dbraw/zinc/52/51/32/590525132.db2.gz FNAYZMUEGZMDNS-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN CC(=O)CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000878223817 590526118 /nfs/dbraw/zinc/52/61/18/590526118.db2.gz SFVMCDPJJSUYDU-GJZGRUSLSA-N 0 1 247.338 2.164 20 0 BEADMN COC(=O)C(C)(C)N(C)CCCC1CC1 ZINC000878240532 590528666 /nfs/dbraw/zinc/52/86/66/590528666.db2.gz UHQDMNANAQWSIU-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN CC(C)[C@@H](O)CCNC(C)(C)c1nccs1 ZINC000878249277 590529491 /nfs/dbraw/zinc/52/94/91/590529491.db2.gz MXECZYWABWQXHY-JTQLQIEISA-N 0 1 242.388 2.375 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878298993 590537739 /nfs/dbraw/zinc/53/77/39/590537739.db2.gz ONJIAKXDYWPZSF-ILXRZTDVSA-N 0 1 246.354 2.471 20 0 BEADMN CN(Cc1cccnc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878298998 590537979 /nfs/dbraw/zinc/53/79/79/590537979.db2.gz ONJIAKXDYWPZSF-QLFBSQMISA-N 0 1 246.354 2.471 20 0 BEADMN Cc1conc1CN1CCC2(CC2)CC1 ZINC000878317381 590543039 /nfs/dbraw/zinc/54/30/39/590543039.db2.gz QAXVCRNXJGNABV-UHFFFAOYSA-N 0 1 206.289 2.359 20 0 BEADMN C=C/C=C\CCN[C@H](C)c1nnc(C)o1 ZINC000878427799 590564800 /nfs/dbraw/zinc/56/48/00/590564800.db2.gz XARLCUMSBGZJQT-SSJHQANKSA-N 0 1 207.277 2.161 20 0 BEADMN C=C/C=C\CCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000878440563 590568611 /nfs/dbraw/zinc/56/86/11/590568611.db2.gz KKTOHNJTUSZRJQ-KBIGUFJUSA-N 0 1 249.354 2.189 20 0 BEADMN C=C/C=C/CCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000878440564 590568875 /nfs/dbraw/zinc/56/88/75/590568875.db2.gz KKTOHNJTUSZRJQ-LSMGEYOZSA-N 0 1 249.354 2.189 20 0 BEADMN C[C@@H](NCC1CC2(CCC2)C1)c1ncn(C)n1 ZINC000878477132 590575553 /nfs/dbraw/zinc/57/55/53/590575553.db2.gz GYGWYGPBDSHWJZ-SNVBAGLBSA-N 0 1 234.347 2.046 20 0 BEADMN C[C@@H]1CCN(CCCC2CC2)CC[S@@]1=O ZINC000878512572 590584131 /nfs/dbraw/zinc/58/41/31/590584131.db2.gz PYGOXQKDILVXJM-ABAIWWIYSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@H]1CCN(CCCC2CC2)CC[S@@]1=O ZINC000878512574 590584258 /nfs/dbraw/zinc/58/42/58/590584258.db2.gz PYGOXQKDILVXJM-NHYWBVRUSA-N 0 1 229.389 2.020 20 0 BEADMN CN(Cc1cc(C(F)(F)F)co1)C1(CO)CC1 ZINC000878609694 590595445 /nfs/dbraw/zinc/59/54/45/590595445.db2.gz IJRMCIJRFKVOCB-UHFFFAOYSA-N 0 1 249.232 2.255 20 0 BEADMN CCN(CC(C)=O)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000878635712 590598079 /nfs/dbraw/zinc/59/80/79/590598079.db2.gz OQBRVKFJCKWHDF-GXTWGEPZSA-N 0 1 235.327 2.019 20 0 BEADMN F[C@@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000878663509 590604984 /nfs/dbraw/zinc/60/49/84/590604984.db2.gz KHIDUACZEKHRQV-GHMZBOCLSA-N 0 1 213.296 2.132 20 0 BEADMN CC1(C)CC[C@@H](CN2CC[C@H](F)C2)OC1 ZINC000878663030 590605504 /nfs/dbraw/zinc/60/55/04/590605504.db2.gz GEUQMHAONPZUSV-QWRGUYRKSA-N 0 1 215.312 2.235 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878668174 590606430 /nfs/dbraw/zinc/60/64/30/590606430.db2.gz NTZSSPAXIZQTEP-QEJZJMRPSA-N 0 1 246.354 2.471 20 0 BEADMN CN(Cc1ccccn1)C[C@@H]1CC2(CCC2)CO1 ZINC000878668347 590606620 /nfs/dbraw/zinc/60/66/20/590606620.db2.gz SHUXWPJJBGSKSA-AWEZNQCLSA-N 0 1 246.354 2.473 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1nocc1C ZINC000878691879 590610203 /nfs/dbraw/zinc/61/02/03/590610203.db2.gz JMCJTGPPXYMMSU-DGCLKSJQSA-N 0 1 238.331 2.420 20 0 BEADMN C=C/C=C/CC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000878746940 590617890 /nfs/dbraw/zinc/61/78/90/590617890.db2.gz FBTYUADNRWQAIW-PCAWENJQSA-N 0 1 242.313 2.144 20 0 BEADMN Cc1nc([C@H](C)N2CCC=C(Cl)C2)n[nH]1 ZINC000878790444 590622314 /nfs/dbraw/zinc/62/23/14/590622314.db2.gz LXQWVNTWRDVKOQ-ZETCQYMHSA-N 0 1 226.711 2.003 20 0 BEADMN CC[C@H](NCc1nocc1C)[C@@H]1CCCCO1 ZINC000878847057 590633203 /nfs/dbraw/zinc/63/32/03/590633203.db2.gz PBPQUESRIYZUIT-AAEUAGOBSA-N 0 1 238.331 2.420 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@H]1CCC(C)(C)CO1 ZINC000878884888 590640157 /nfs/dbraw/zinc/64/01/57/590640157.db2.gz OGURRWJKQFMVRK-GFCCVEGCSA-N 0 1 237.347 2.047 20 0 BEADMN CO[C@@H]1CN(C[C@H](C)CC(C)(C)C)CCO1 ZINC000878968895 590663167 /nfs/dbraw/zinc/66/31/67/590663167.db2.gz FAOGNHNXBYJYEY-NEPJUHHUSA-N 0 1 229.364 2.363 20 0 BEADMN CC(C)[C@@H](O)CCN1CCC[C@@H]1c1ncccn1 ZINC000878978226 590666980 /nfs/dbraw/zinc/66/69/80/590666980.db2.gz QBKIZBGDXLYZNL-OLZOCXBDSA-N 0 1 249.358 2.021 20 0 BEADMN CC(=O)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000879009055 590676441 /nfs/dbraw/zinc/67/64/41/590676441.db2.gz NZQKPNWDYVBHLJ-LLVKDONJSA-N 0 1 233.311 2.251 20 0 BEADMN C=C/C=C\CCN1CCO[C@@H](CCF)C1 ZINC000879053639 590689377 /nfs/dbraw/zinc/68/93/77/590689377.db2.gz FKUQIZINKYEORI-MVZIDQBPSA-N 0 1 213.296 2.179 20 0 BEADMN CO[C@H]1CC[C@H](C)N(Cc2cncs2)C1 ZINC000879325519 590746742 /nfs/dbraw/zinc/74/67/42/590746742.db2.gz KSTHFYBOPCXFTK-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000879327541 590747145 /nfs/dbraw/zinc/74/71/45/590747145.db2.gz WKHNDLPMSFOKJT-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN C[C@H](O)CN1CCC[C@](F)(c2ccccc2)C1 ZINC000879478194 590777730 /nfs/dbraw/zinc/77/77/30/590777730.db2.gz OOXOHNTYQFCZLJ-GXTWGEPZSA-N 0 1 237.318 2.328 20 0 BEADMN C[C@@H](c1csnn1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530461 590792785 /nfs/dbraw/zinc/79/27/85/590792785.db2.gz SPELUFLQXSHXTQ-GARJFASQSA-N 0 1 235.356 2.497 20 0 BEADMN Cc1conc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565103 590804270 /nfs/dbraw/zinc/80/42/70/590804270.db2.gz PSIBTSZSMPQHPO-MNOVXSKESA-N 0 1 238.356 2.168 20 0 BEADMN c1cc(CNC2([C@@H]3CCCCO3)CCC2)on1 ZINC000879731705 590856835 /nfs/dbraw/zinc/85/68/35/590856835.db2.gz QNSLGOYNPJPHTA-LBPRGKRZSA-N 0 1 236.315 2.256 20 0 BEADMN C[C@H]1CCN[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000127987486 590865017 /nfs/dbraw/zinc/86/50/17/590865017.db2.gz KBYVKHIBAHIRTR-WPRPVWTQSA-N 0 1 233.271 2.390 20 0 BEADMN C[C@@H]1C[C@H](C)N1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879825322 590881391 /nfs/dbraw/zinc/88/13/91/590881391.db2.gz GTUXBHBTLHVMRY-ORXSELOVSA-N 0 1 247.342 2.085 20 0 BEADMN CC(=O)CN1CC[C@]2(CCc3ccccc32)C1 ZINC000879997633 590907461 /nfs/dbraw/zinc/90/74/61/590907461.db2.gz QGQAYJMQXGGBCO-OAHLLOKOSA-N 0 1 229.323 2.165 20 0 BEADMN COCC1(N(C)Cc2cccc(F)n2)CCC1 ZINC000880185596 590954360 /nfs/dbraw/zinc/95/43/60/590954360.db2.gz VUOTZOQRGSQCOI-UHFFFAOYSA-N 0 1 238.306 2.222 20 0 BEADMN FC[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000880237123 590968227 /nfs/dbraw/zinc/96/82/27/590968227.db2.gz QJKRXYRQKOVHSP-JTQLQIEISA-N 0 1 226.270 2.402 20 0 BEADMN Cc1cc(CN2CCC(F)CC2)nc(C)n1 ZINC000880238217 590970172 /nfs/dbraw/zinc/97/01/72/590970172.db2.gz BCBDIFTVZKGYCE-UHFFFAOYSA-N 0 1 223.295 2.027 20 0 BEADMN CCc1nocc1CN1CCC[C@H](CF)C1 ZINC000880238764 590971101 /nfs/dbraw/zinc/97/11/01/590971101.db2.gz XBGNTKHACQMXCL-SNVBAGLBSA-N 0 1 226.295 2.419 20 0 BEADMN Cc1cccc2nc(CN3CC[C@@H](CF)C3)cn21 ZINC000880294815 590989604 /nfs/dbraw/zinc/98/96/04/590989604.db2.gz DZEXNPJYDJOXPH-LBPRGKRZSA-N 0 1 247.317 2.434 20 0 BEADMN Cc1cnc([C@@H](C)N2CC[C@H](CF)C2)o1 ZINC000880299386 590994043 /nfs/dbraw/zinc/99/40/43/590994043.db2.gz SARQWXSUFAXJJL-NXEZZACHSA-N 0 1 212.268 2.335 20 0 BEADMN FC[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000880300437 590997131 /nfs/dbraw/zinc/99/71/31/590997131.db2.gz SGOUBSZCXWXXQR-SNVBAGLBSA-N 0 1 212.243 2.012 20 0 BEADMN c1cnc(C2(NCCC3CC3)CCC2)nc1 ZINC000880365428 591011049 /nfs/dbraw/zinc/01/10/49/591011049.db2.gz KSXLOVDVXLFVRX-UHFFFAOYSA-N 0 1 217.316 2.246 20 0 BEADMN CCCCNC1(c2ncccn2)CCC1 ZINC000880364684 591011124 /nfs/dbraw/zinc/01/11/24/591011124.db2.gz NEOOLIZHKYUWKT-UHFFFAOYSA-N 0 1 205.305 2.246 20 0 BEADMN CSCCCNC1(c2ncccn2)CCC1 ZINC000880366075 591012697 /nfs/dbraw/zinc/01/26/97/591012697.db2.gz ZEKZKFDSVPVBDU-UHFFFAOYSA-N 0 1 237.372 2.199 20 0 BEADMN C[C@@H]1c2sccc2CCN1CC[S@](C)=O ZINC000880376301 591016285 /nfs/dbraw/zinc/01/62/85/591016285.db2.gz FUTNFMWDLFWOFY-PSLIRLAXSA-N 0 1 243.397 2.046 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccnc(Cl)c1 ZINC000880438865 591040497 /nfs/dbraw/zinc/04/04/97/591040497.db2.gz CGQBOLTXQLFBCG-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN OC[C@H]1C=CCN1Cc1cc2ccccc2o1 ZINC000880486691 591060430 /nfs/dbraw/zinc/06/04/30/591060430.db2.gz DZRZATKBXJQQOS-GFCCVEGCSA-N 0 1 229.279 2.166 20 0 BEADMN Cc1ccc(CN(C)[C@@H](CC(C)C)C(N)=O)cc1 ZINC000880587949 591102151 /nfs/dbraw/zinc/10/21/51/591102151.db2.gz NCEFCPRTOKVQIX-AWEZNQCLSA-N 0 1 248.370 2.327 20 0 BEADMN CC/C=C(\C)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610517 591109281 /nfs/dbraw/zinc/10/92/81/591109281.db2.gz SPBXHAWQUMVREE-YHDXHSTISA-N 0 1 238.375 2.284 20 0 BEADMN CC1(CN2CCc3ncncc3C2)CCC1 ZINC000880600110 591109312 /nfs/dbraw/zinc/10/93/12/591109312.db2.gz XITIMRKSHHFDRS-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN CC(C)=CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880612159 591111626 /nfs/dbraw/zinc/11/16/26/591111626.db2.gz FCUKHVCGKQFTGC-GFCCVEGCSA-N 0 1 238.375 2.141 20 0 BEADMN C[N@@H+](C/C(Cl)=C\Cl)C(C)(C)C(=O)[O-] ZINC000211365663 591163379 /nfs/dbraw/zinc/16/33/79/591163379.db2.gz HTBSBUDOTASNEH-GQCTYLIASA-N 0 1 226.103 2.100 20 0 BEADMN CCC[C@@H](C)CCNC(=O)CN(CC)C1CC1 ZINC000881529344 591230855 /nfs/dbraw/zinc/23/08/55/591230855.db2.gz GUSQQCGPHGFVOI-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C=C/C=C/CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000881564941 591239993 /nfs/dbraw/zinc/23/99/93/591239993.db2.gz FRQALHGIMLWJOI-UFFNRZRYSA-N 0 1 245.326 2.078 20 0 BEADMN C[C@H](NCC[S@](C)=O)c1ccccc1Cl ZINC000129409841 591292937 /nfs/dbraw/zinc/29/29/37/591292937.db2.gz ZBIPOWSRPMGHOB-BJOHPYRUSA-N 0 1 245.775 2.369 20 0 BEADMN Cc1cc(C[C@@H](C)Nc2ncnc(C)c2C)[nH]n1 ZINC000882109750 591299347 /nfs/dbraw/zinc/29/93/47/591299347.db2.gz LNLIIDOVRNBLFX-MRVPVSSYSA-N 0 1 245.330 2.168 20 0 BEADMN Cc1cc(NC(=O)[C@H]2CCCN2C)cc(O)c1C ZINC000882119827 591301153 /nfs/dbraw/zinc/30/11/53/591301153.db2.gz NLJQXVVALBHOCD-GFCCVEGCSA-N 0 1 248.326 2.042 20 0 BEADMN CCC[C@H](C)CC(=O)NC[C@H]1CCN1CC ZINC000882485038 591360305 /nfs/dbraw/zinc/36/03/05/591360305.db2.gz FCLSPTAAGRUMGM-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H](CC(=O)NC[C@@H]1CCN1CC)C(C)C ZINC000882487031 591364092 /nfs/dbraw/zinc/36/40/92/591364092.db2.gz QZEHTAXEKWOUOQ-STQMWFEESA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000882487168 591365290 /nfs/dbraw/zinc/36/52/90/591365290.db2.gz AXXFBSPZKYMODX-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C(CC)(CC)CC ZINC000882489142 591366769 /nfs/dbraw/zinc/36/67/69/591366769.db2.gz MSKGHACMXZLGHE-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC000882489295 591367193 /nfs/dbraw/zinc/36/71/93/591367193.db2.gz AAISLGYWDRWDCC-JSGCOSHPSA-N 0 1 246.354 2.001 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000882489112 591367218 /nfs/dbraw/zinc/36/72/18/591367218.db2.gz LYXXZTBHRAAVFX-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC1(C(=O)NC[C@H]2CCN2CC)CCC1 ZINC000882489216 591367694 /nfs/dbraw/zinc/36/76/94/591367694.db2.gz OPZPYNVHBPGYAF-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000882489908 591367942 /nfs/dbraw/zinc/36/79/42/591367942.db2.gz HARPPQVNJULZKJ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H](C(=O)NC[C@H]1CCN1CC)C(C)C ZINC000882490555 591368801 /nfs/dbraw/zinc/36/88/01/591368801.db2.gz RFHIDELSIUMNEI-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC000882492737 591372929 /nfs/dbraw/zinc/37/29/29/591372929.db2.gz VJXNJNHTYPMHFQ-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H](CC(C)C)C(=O)NC[C@H]1CCN1CC ZINC000882495355 591375532 /nfs/dbraw/zinc/37/55/32/591375532.db2.gz XTFNBCNSGTVRBL-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)nc1 ZINC000882719087 591420928 /nfs/dbraw/zinc/42/09/28/591420928.db2.gz ZUNMYPPYGCHNFN-CYBMUJFWSA-N 0 1 249.358 2.169 20 0 BEADMN CCC(O)(CC)CNCc1nc(C(C)C)c[nH]1 ZINC000882942599 591479623 /nfs/dbraw/zinc/47/96/23/591479623.db2.gz IOMSQGHLLCYHKO-UHFFFAOYSA-N 0 1 239.363 2.174 20 0 BEADMN FC1(F)CCC[C@H]1CCOCCc1c[nH]nn1 ZINC000882992974 591498255 /nfs/dbraw/zinc/49/82/55/591498255.db2.gz BORIYVMOQIGILJ-VIFPVBQESA-N 0 1 245.273 2.189 20 0 BEADMN Cc1cc(CNCCCc2c(C)noc2C)no1 ZINC000883034009 591521806 /nfs/dbraw/zinc/52/18/06/591521806.db2.gz JYMKHRRPJJZLAS-UHFFFAOYSA-N 0 1 249.314 2.310 20 0 BEADMN COC[C@H](NCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883074452 591536007 /nfs/dbraw/zinc/53/60/07/591536007.db2.gz YFBYAVUTOGZPQX-LBPRGKRZSA-N 0 1 237.347 2.048 20 0 BEADMN FCC(CF)N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883132522 591546355 /nfs/dbraw/zinc/54/63/55/591546355.db2.gz ULNHEAIAUMWBKN-ILWJIGKKSA-N 0 1 203.276 2.462 20 0 BEADMN CCC[C@H](CNCc1nc(C(C)C)c[nH]1)OC ZINC000883131898 591546579 /nfs/dbraw/zinc/54/65/79/591546579.db2.gz YAPIQOGTJMMAJB-LLVKDONJSA-N 0 1 239.363 2.438 20 0 BEADMN CC(C)c1c[nH]c(CN[C@@H]2COC3(CCC3)C2)n1 ZINC000883170121 591559973 /nfs/dbraw/zinc/55/99/73/591559973.db2.gz LUVKEODGCNSWJF-NSHDSACASA-N 0 1 249.358 2.334 20 0 BEADMN C=C/C=C/CCNCc1cc(COC)on1 ZINC000883260211 591597863 /nfs/dbraw/zinc/59/78/63/591597863.db2.gz NQBAVOCTNLMKCS-SNAWJCMRSA-N 0 1 222.288 2.043 20 0 BEADMN C/C(=C\C[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000214551098 591609993 /nfs/dbraw/zinc/60/99/93/591609993.db2.gz DRJIABTXIWAYKV-JXMROGBWSA-N 0 1 211.305 2.139 20 0 BEADMN c1cnc(C2(N[C@H]3CCCSC3)CCC2)nc1 ZINC000883306500 591610559 /nfs/dbraw/zinc/61/05/59/591610559.db2.gz XDNYVIFGDUTXDJ-NSHDSACASA-N 0 1 249.383 2.341 20 0 BEADMN c1cnc(C2(N[C@@H]3CCCSC3)CCC2)nc1 ZINC000883306499 591611131 /nfs/dbraw/zinc/61/11/31/591611131.db2.gz XDNYVIFGDUTXDJ-LLVKDONJSA-N 0 1 249.383 2.341 20 0 BEADMN c1cnc(C2(NC3CCCC3)CCC2)nc1 ZINC000883314102 591612295 /nfs/dbraw/zinc/61/22/95/591612295.db2.gz VRBKEZZXWWLJID-UHFFFAOYSA-N 0 1 217.316 2.388 20 0 BEADMN c1cnc(C2(NC3CCSCC3)CCC2)nc1 ZINC000883313695 591612384 /nfs/dbraw/zinc/61/23/84/591612384.db2.gz KDRUZFXRTDHUNU-UHFFFAOYSA-N 0 1 249.383 2.341 20 0 BEADMN C[C@@H]1CC[C@H]1NC1(c2ncccn2)CCC1 ZINC000883312233 591612416 /nfs/dbraw/zinc/61/24/16/591612416.db2.gz XSRXZVBRSSORJT-GHMZBOCLSA-N 0 1 217.316 2.244 20 0 BEADMN CC(C)[C@H](C(=O)OCC1CC1)N1CCCCC1 ZINC000131568893 591623919 /nfs/dbraw/zinc/62/39/19/591623919.db2.gz RADFWRXDJQIWSM-CYBMUJFWSA-N 0 1 239.359 2.450 20 0 BEADMN F[C@@H]1CCc2ccccc2[C@H]1N[C@H]1CCOC1 ZINC000883376416 591636906 /nfs/dbraw/zinc/63/69/06/591636906.db2.gz KEXXROXJMBZRNE-IACUBPJLSA-N 0 1 235.302 2.391 20 0 BEADMN F[C@@H]1CCc2ccccc2[C@H]1N[C@@H]1CCOC1 ZINC000883376417 591637161 /nfs/dbraw/zinc/63/71/61/591637161.db2.gz KEXXROXJMBZRNE-MRVWCRGKSA-N 0 1 235.302 2.391 20 0 BEADMN C=C/C=C/CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000883409459 591650986 /nfs/dbraw/zinc/65/09/86/591650986.db2.gz XGNUAEJIPBUCST-XKFHPXPTSA-N 0 1 209.289 2.056 20 0 BEADMN CCn1cc(CN2CCCC[C@@H]2C(C)C)nn1 ZINC000884002686 591791885 /nfs/dbraw/zinc/79/18/85/591791885.db2.gz VRNLSFBWEXPFLA-CYBMUJFWSA-N 0 1 236.363 2.309 20 0 BEADMN CCc1nccc(=NOC[C@@H](C)CC)[nH]1 ZINC000884513344 591962238 /nfs/dbraw/zinc/96/22/38/591962238.db2.gz GTVKHPVYSBQQGK-VIFPVBQESA-N 0 1 209.293 2.429 20 0 BEADMN CC(C)OCCNCc1cccnc1Cl ZINC000134985403 591968133 /nfs/dbraw/zinc/96/81/33/591968133.db2.gz APOVZWNMGVCLQF-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1CC1 ZINC000885258218 592060515 /nfs/dbraw/zinc/06/05/15/592060515.db2.gz GDRMUVBDVSEOKR-UFBFGSQYSA-N 0 1 234.299 2.029 20 0 BEADMN C[N@H+](Cc1nccs1)C[C@@H]1C[C@@]12CCOC2 ZINC000886030978 592137053 /nfs/dbraw/zinc/13/70/53/592137053.db2.gz YVXGRKNOYZZYCB-CMPLNLGQSA-N 0 1 238.356 2.002 20 0 BEADMN CN(Cc1nccs1)C[C@@H]1C[C@@]12CCOC2 ZINC000886030978 592137054 /nfs/dbraw/zinc/13/70/54/592137054.db2.gz YVXGRKNOYZZYCB-CMPLNLGQSA-N 0 1 238.356 2.002 20 0 BEADMN CCc1nc([C@H](C)NCc2cc(C)co2)n[nH]1 ZINC000886052326 592141323 /nfs/dbraw/zinc/14/13/23/592141323.db2.gz OOOOWFWNZCPVBH-VIFPVBQESA-N 0 1 234.303 2.119 20 0 BEADMN CN(CCOC1CCCCC1)Cc1cn[nH]c1 ZINC000886073791 592144154 /nfs/dbraw/zinc/14/41/54/592144154.db2.gz YGAOVKATYHWXQR-UHFFFAOYSA-N 0 1 237.347 2.191 20 0 BEADMN CN(Cc1cccnc1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886087508 592145632 /nfs/dbraw/zinc/14/56/32/592145632.db2.gz VKHRRNVZZDIERH-CABCVRRESA-N 0 1 246.354 2.471 20 0 BEADMN Cc1coc(CNCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000886142763 592162543 /nfs/dbraw/zinc/16/25/43/592162543.db2.gz KKWMRGQLSIZTKI-UHFFFAOYSA-N 0 1 248.330 2.293 20 0 BEADMN Cc1[nH]nc(CNc2cnn3c2CCCC3)c1C ZINC000886175221 592170001 /nfs/dbraw/zinc/17/00/01/592170001.db2.gz UDDYCDPDKWCDSI-UHFFFAOYSA-N 0 1 245.330 2.171 20 0 BEADMN CCn1ncc(NCc2n[nH]c(C)c2C)c1C ZINC000886183548 592171376 /nfs/dbraw/zinc/17/13/76/592171376.db2.gz HSMXPMYOYLUALL-UHFFFAOYSA-N 0 1 233.319 2.163 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886226499 592180366 /nfs/dbraw/zinc/18/03/66/592180366.db2.gz NHAWWXHPHRUSEE-HUUCEWRRSA-N 0 1 246.354 2.471 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1ccn(C)n1 ZINC000886243009 592183432 /nfs/dbraw/zinc/18/34/32/592183432.db2.gz LUBOEGKJWXSNBK-SUHUHFCYSA-N 0 1 249.358 2.028 20 0 BEADMN C[C@H](NC[C@H]1CCSC1)c1ncco1 ZINC000886272235 592192439 /nfs/dbraw/zinc/19/24/39/592192439.db2.gz KSCOZCNFUJQGDE-DTWKUNHWSA-N 0 1 212.318 2.078 20 0 BEADMN C[C@@H](NC[C@@H]1CCSC1)c1ncco1 ZINC000886272234 592193230 /nfs/dbraw/zinc/19/32/30/592193230.db2.gz KSCOZCNFUJQGDE-BDAKNGLRSA-N 0 1 212.318 2.078 20 0 BEADMN C[C@H](NC1CCSCC1)c1ncco1 ZINC000886276059 592195275 /nfs/dbraw/zinc/19/52/75/592195275.db2.gz VUIATKNABYLJET-QMMMGPOBSA-N 0 1 212.318 2.221 20 0 BEADMN Cc1ccc(NC(=O)CN2C[C@@H]3C[C@@H]3C2)cc1C ZINC000886338780 592212368 /nfs/dbraw/zinc/21/23/68/592212368.db2.gz PIKBZPFTGFVWNH-BETUJISGSA-N 0 1 244.338 2.194 20 0 BEADMN COC(=O)c1ccc(F)c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886347079 592213426 /nfs/dbraw/zinc/21/34/26/592213426.db2.gz XZDAFPXZRDNPQP-PHIMTYICSA-N 0 1 249.285 2.064 20 0 BEADMN COC(C)(C)CCN[C@@H](C)c1ncco1 ZINC000886538394 592252089 /nfs/dbraw/zinc/25/20/89/592252089.db2.gz HGCKBFMPHADKDS-VIFPVBQESA-N 0 1 212.293 2.140 20 0 BEADMN COC(C)(C)CCN[C@H](C)c1ncco1 ZINC000886538393 592252403 /nfs/dbraw/zinc/25/24/03/592252403.db2.gz HGCKBFMPHADKDS-SECBINFHSA-N 0 1 212.293 2.140 20 0 BEADMN Fc1cnccc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886570369 592262623 /nfs/dbraw/zinc/26/26/23/592262623.db2.gz IQQFAUTZSWSHNZ-PHIMTYICSA-N 0 1 238.331 2.016 20 0 BEADMN CC[C@@H](C)C(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000886591348 592270380 /nfs/dbraw/zinc/27/03/80/592270380.db2.gz RTRSNERBTLRWAK-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1cnccn1 ZINC000886701172 592307482 /nfs/dbraw/zinc/30/74/82/592307482.db2.gz LVWRRBHSXIKTFI-NWDGAFQWSA-N 0 1 247.342 2.086 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1ncc[nH]1 ZINC000886730850 592312634 /nfs/dbraw/zinc/31/26/34/592312634.db2.gz NIFUGKOCIBWHDI-VXGBXAGGSA-N 0 1 249.358 2.410 20 0 BEADMN c1nc(CN2CC[C@H]([C@@H]3CCCO3)C2)cs1 ZINC000886835035 592355719 /nfs/dbraw/zinc/35/57/19/592355719.db2.gz HIBMJGFDYKLNOZ-JQWIXIFHSA-N 0 1 238.356 2.144 20 0 BEADMN c1nc(CN2CC[C@H]([C@H]3CCCO3)C2)cs1 ZINC000886835034 592357308 /nfs/dbraw/zinc/35/73/08/592357308.db2.gz HIBMJGFDYKLNOZ-CMPLNLGQSA-N 0 1 238.356 2.144 20 0 BEADMN CN(CCCF)Cc1cccc2c1OCCO2 ZINC000887138665 592452469 /nfs/dbraw/zinc/45/24/69/592452469.db2.gz GPXAOZHBFJNTPJ-UHFFFAOYSA-N 0 1 239.290 2.249 20 0 BEADMN CC(C)n1nccc1CN(C)CCCF ZINC000887142443 592455410 /nfs/dbraw/zinc/45/54/10/592455410.db2.gz KCZCXASSQQSHFV-UHFFFAOYSA-N 0 1 213.300 2.255 20 0 BEADMN CN(CCCF)Cc1cnc2ccccn12 ZINC000887141050 592455524 /nfs/dbraw/zinc/45/55/24/592455524.db2.gz DDLQAANBMJRFOV-UHFFFAOYSA-N 0 1 221.279 2.126 20 0 BEADMN COc1cc(C)nc(CN(C)CCCF)c1 ZINC000887141485 592457339 /nfs/dbraw/zinc/45/73/39/592457339.db2.gz WIXJCUNRMBANAX-UHFFFAOYSA-N 0 1 226.295 2.190 20 0 BEADMN Cc1nnc([C@@H](C)NC2(C3CC3)CCC2)o1 ZINC000887146393 592460055 /nfs/dbraw/zinc/46/00/55/592460055.db2.gz UVNRRWVOPXSZEA-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@@H]1CCc2c1[nH]n(C1CCSCC1)c2=O ZINC000887292950 592476871 /nfs/dbraw/zinc/47/68/71/592476871.db2.gz MWUUWTQNJJWNKO-SCZZXKLOSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CC[C@@H]2C(=O)N([C@@H]3CCCSC3)N=C12 ZINC000887299224 592479250 /nfs/dbraw/zinc/47/92/50/592479250.db2.gz SPYYLKPWEPMGRW-BBBLOLIVSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CCc2c1[nH]n([C@@H]1CCCSC1)c2=O ZINC000887299224 592479252 /nfs/dbraw/zinc/47/92/52/592479252.db2.gz SPYYLKPWEPMGRW-BBBLOLIVSA-N 0 1 238.356 2.126 20 0 BEADMN CN(CC(=O)NCC(C)(C)C1CC1)C1CCC1 ZINC000887372239 592496045 /nfs/dbraw/zinc/49/60/45/592496045.db2.gz YHRODHKENVVRJZ-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cn[nH]c1C[S@](=O)Cc1ccccc1C ZINC000887374727 592496534 /nfs/dbraw/zinc/49/65/34/592496534.db2.gz SZLWAQRBZCZAIW-QGZVFWFLSA-N 0 1 248.351 2.475 20 0 BEADMN Cc1cc(C(=O)N2CC[C@H]2C2CCCC2)n[nH]1 ZINC000889399111 592607840 /nfs/dbraw/zinc/60/78/40/592607840.db2.gz XUKPLFRXKDNSEB-LBPRGKRZSA-N 0 1 233.315 2.123 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])o2)[C@H]1C ZINC000380659738 601450713 /nfs/dbraw/zinc/45/07/13/601450713.db2.gz SJFYQSICNXFXIK-BDAKNGLRSA-N 0 1 223.272 2.208 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])co1 ZINC000051330463 599772008 /nfs/dbraw/zinc/77/20/08/599772008.db2.gz HUFMRLCBKMLAQO-SNVBAGLBSA-N 0 1 223.272 2.352 20 0 BEADMN O=C([O-])C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070914636 597071793 /nfs/dbraw/zinc/07/17/93/597071793.db2.gz PRGQYTYGKLWMMW-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)nc1 ZINC000156660233 597352852 /nfs/dbraw/zinc/35/28/52/597352852.db2.gz MWRDXTHEESXSRF-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000738571431 597779721 /nfs/dbraw/zinc/77/97/21/597779721.db2.gz ZZXSJYAZKAKLOA-LLVKDONJSA-N 0 1 237.299 2.324 20 0 BEADMN CC[N@@H+](CCCCC(=O)[O-])Cc1ccncc1 ZINC000042516161 597804516 /nfs/dbraw/zinc/80/45/16/597804516.db2.gz CXNHVDIYCSPMGY-UHFFFAOYSA-N 0 1 236.315 2.158 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])ccc1F ZINC000082548741 598133497 /nfs/dbraw/zinc/13/34/97/598133497.db2.gz FUNTVIYXLSLREW-LBPRGKRZSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000082548740 598133565 /nfs/dbraw/zinc/13/35/65/598133565.db2.gz FUNTVIYXLSLREW-GFCCVEGCSA-N 0 1 237.274 2.183 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000229551497 598151748 /nfs/dbraw/zinc/15/17/48/598151748.db2.gz ONNTUXVHGOBYMT-NSHDSACASA-N 0 1 237.299 2.275 20 0 BEADMN CCCC(N)=[NH+]OCc1cc(C)c(C(=O)[O-])o1 ZINC000736968992 599894087 /nfs/dbraw/zinc/89/40/87/599894087.db2.gz BNXMSIGCFLITQK-UHFFFAOYSA-N 0 1 240.259 2.085 20 0 BEADMN O=C([O-])c1ccoc1C[NH+]1Cc2ccccc2C1 ZINC000050911536 599992431 /nfs/dbraw/zinc/99/24/31/599992431.db2.gz XRNVICVSNRNVBJ-UHFFFAOYSA-N 0 1 243.262 2.494 20 0 BEADMN CCC[C@@](C)([NH2+]CC(F)(F)C(F)F)C(=O)[O-] ZINC000309132882 600261521 /nfs/dbraw/zinc/26/15/21/600261521.db2.gz JGFORRZOTUDTKV-MRVPVSSYSA-N 0 1 245.216 2.120 20 0 BEADMN O=C([O-])C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000390365426 600273715 /nfs/dbraw/zinc/27/37/15/600273715.db2.gz TZUYMXSJINFTGS-SNVBAGLBSA-N 0 1 223.272 2.281 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000689101492 600375500 /nfs/dbraw/zinc/37/55/00/600375500.db2.gz JFDNZLCYSQUPFZ-SDDRHHMPSA-N 0 1 243.347 2.129 20 0 BEADMN CCc1ccc([C@@H]2CCC[N@H+]2CC(=O)[O-])o1 ZINC000309377750 600461850 /nfs/dbraw/zinc/46/18/50/600461850.db2.gz RMXTXKUEHNCFPU-JTQLQIEISA-N 0 1 223.272 2.064 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)[O-] ZINC000237582328 600835183 /nfs/dbraw/zinc/83/51/83/600835183.db2.gz HUHYEYJYVCNHIM-VWYCJHECSA-N 0 1 211.305 2.114 20 0 BEADMN CC1(C)CCC[N@@H+](CCCC(=O)[O-])CC1 ZINC000083680665 600971610 /nfs/dbraw/zinc/97/16/10/600971610.db2.gz LKNVCYNVSFPFAP-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H]1c2ccccc2C[N@@H+]1CCCC(=O)[O-] ZINC000381167212 601116510 /nfs/dbraw/zinc/11/65/10/601116510.db2.gz SQKOALJZWJZZEH-SNVBAGLBSA-N 0 1 219.284 2.428 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1C1CCC1)C(=O)[O-] ZINC000688198316 601162671 /nfs/dbraw/zinc/16/26/71/601162671.db2.gz ICJPGMMCDWUJIW-OFFHKIPUSA-N 0 1 223.316 2.282 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000390375387 601388105 /nfs/dbraw/zinc/38/81/05/601388105.db2.gz XLBVFLPEZASZAJ-GFCCVEGCSA-N 0 1 219.284 2.298 20 0 BEADMN CCC(C)(C)CC[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000696712385 601515233 /nfs/dbraw/zinc/51/52/33/601515233.db2.gz NCOUHQLWQLQHNS-WDEREUQCSA-N 0 1 227.348 2.465 20 0 BEADMN O=C([O-])c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000087846700 601581438 /nfs/dbraw/zinc/58/14/38/601581438.db2.gz XHXMQXZEFWLMBP-UHFFFAOYSA-N 0 1 248.307 2.131 20 0 BEADMN C[C@@H]([NH2+]CC(=O)[O-])c1nc2ccccc2s1 ZINC000034959468 601598190 /nfs/dbraw/zinc/59/81/90/601598190.db2.gz DEWBKHASBNMORK-SSDOTTSWSA-N 0 1 236.296 2.032 20 0 BEADMN Cc1[nH+]ccn1Cc1cc(C(=O)[O-])sc1C ZINC000087794311 601616664 /nfs/dbraw/zinc/61/66/64/601616664.db2.gz QBGAURKLRQFGLT-UHFFFAOYSA-N 0 1 236.296 2.308 20 0 BEADMN CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739364808 601926183 /nfs/dbraw/zinc/92/61/83/601926183.db2.gz NQNADGPEQHEMPG-NEPJUHHUSA-N 0 1 240.347 2.393 20 0 BEADMN O=C([O-])NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000740640570 601953817 /nfs/dbraw/zinc/95/38/17/601953817.db2.gz ADAVLZFDJSPACC-GFCCVEGCSA-N 0 1 240.347 2.156 20 0 BEADMN CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738760504 601976324 /nfs/dbraw/zinc/97/63/24/601976324.db2.gz SSFSXQQVLNXTRN-NSHDSACASA-N 0 1 226.320 2.027 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC1CC1 ZINC000227223276 602033832 /nfs/dbraw/zinc/03/38/32/602033832.db2.gz HZGJGFYVXJXHAE-WOPDTQHZSA-N 0 1 223.316 2.114 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000706954568 602206901 /nfs/dbraw/zinc/20/69/01/602206901.db2.gz ALQXFMRDFWCMTO-OUAUKWLOSA-N 0 1 211.305 2.114 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706961669 602207035 /nfs/dbraw/zinc/20/70/35/602207035.db2.gz FREXWUNKBBVPQA-WPRPVWTQSA-N 0 1 237.324 2.431 20 0 BEADMN CC(C)=CC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000738759971 602264387 /nfs/dbraw/zinc/26/43/87/602264387.db2.gz NMUJMMCHKLUPMZ-VXGBXAGGSA-N 0 1 240.347 2.463 20 0 BEADMN CC(C)CC[C@@H]1CCCC[N@H+]1CC(=O)[O-] ZINC000236611738 602232433 /nfs/dbraw/zinc/23/24/33/602232433.db2.gz NTSKJPYOZKBAHH-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[N@@H+](CC)CC1CCN(C(=O)[O-])CC1 ZINC000739332144 602258037 /nfs/dbraw/zinc/25/80/37/602258037.db2.gz FNGHNWSQZYFSAI-UHFFFAOYSA-N 0 1 242.363 2.498 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000738890608 602258579 /nfs/dbraw/zinc/25/85/79/602258579.db2.gz NFQLQYJKQMKVBJ-SNVBAGLBSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC000739014125 602275899 /nfs/dbraw/zinc/27/58/99/602275899.db2.gz ZMVFGUMLIMAQIZ-SBXZVLJPSA-N 0 1 246.738 2.250 20 0 BEADMN C[N@@H+](CC1CCN(C(=O)[O-])CC1)CC(C)(C)C ZINC000739659611 602311896 /nfs/dbraw/zinc/31/18/96/602311896.db2.gz PKYZFPJRNQAAJA-UHFFFAOYSA-N 0 1 242.363 2.354 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C/Cl)C1CCCC1 ZINC000037474453 602346647 /nfs/dbraw/zinc/34/66/47/602346647.db2.gz NXIYGHATJXFGOB-ZZXKWVIFSA-N 0 1 217.696 2.068 20 0 BEADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736785581 602450612 /nfs/dbraw/zinc/45/06/12/602450612.db2.gz SNCCIOOQPOIUMT-NEPJUHHUSA-N 0 1 240.347 2.251 20 0 BEADMN CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739302607 602451849 /nfs/dbraw/zinc/45/18/49/602451849.db2.gz RUNLNDCYXZKXSI-RYUDHWBXSA-N 0 1 242.363 2.497 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738889495 602451886 /nfs/dbraw/zinc/45/18/86/602451886.db2.gz IZLXORUZVMNTCD-MNOVXSKESA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[O-])CC1 ZINC000739235380 602527422 /nfs/dbraw/zinc/52/74/22/602527422.db2.gz JHFHPQZEOIGXLU-SNVBAGLBSA-N 0 1 228.336 2.107 20 0 BEADMN CCCC[N@@H+](CCC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739332574 602547611 /nfs/dbraw/zinc/54/76/11/602547611.db2.gz HUDVIRRIWFCZGJ-LLVKDONJSA-N 0 1 228.336 2.251 20 0 BEADMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[O-] ZINC000738836069 602666301 /nfs/dbraw/zinc/66/63/01/602666301.db2.gz USKGWGSOWJMEDD-UHFFFAOYSA-N 0 1 236.315 2.294 20 0 BEADMN Cc1ccccc1C[N@@H+]1CCN(C(=O)[O-])C[C@@H]1C ZINC000740182204 602738381 /nfs/dbraw/zinc/73/83/81/602738381.db2.gz BQOLDGQZUPLPGU-LBPRGKRZSA-N 0 1 248.326 2.179 20 0 BEADMN CCCCC[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739327773 602767212 /nfs/dbraw/zinc/76/72/12/602767212.db2.gz AEZQJBHYHOACAR-QWRGUYRKSA-N 0 1 228.336 2.155 20 0 BEADMN C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739182215 602768891 /nfs/dbraw/zinc/76/88/91/602768891.db2.gz VUGIUAQMSPRSPX-ZYHUDNBSSA-N 0 1 240.347 2.155 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@H](C)N1C(=O)[O-] ZINC000739177772 602829244 /nfs/dbraw/zinc/82/92/44/602829244.db2.gz PEXODMCMRRLBGC-TUAOUCFPSA-N 0 1 238.331 2.168 20 0 BEADMN C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)[O-] ZINC000739060230 603080995 /nfs/dbraw/zinc/08/09/95/603080995.db2.gz WMVSQRNSEOMMGF-VIFPVBQESA-N 0 1 240.278 2.086 20 0 BEADMN O=C([O-])NCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000740658178 603084108 /nfs/dbraw/zinc/08/41/08/603084108.db2.gz KIOQWUXNXQMXFL-JTQLQIEISA-N 0 1 240.328 2.153 20 0 BEADMN Cc1cccc([C@H]2CCC[N@H+]2CCNC(=O)[O-])c1 ZINC000740165473 603084387 /nfs/dbraw/zinc/08/43/87/603084387.db2.gz GLXGBVDLWMRORE-CYBMUJFWSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1cccc(C[N@@H+](C)CCCNC(=O)[O-])c1 ZINC000740172122 603255781 /nfs/dbraw/zinc/25/57/81/603255781.db2.gz WGIVVTOWFOWWLI-UHFFFAOYSA-N 0 1 236.315 2.085 20 0 BEADMN CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739298748 603324416 /nfs/dbraw/zinc/32/44/16/603324416.db2.gz FLYCLVFRYNTZOP-WDEREUQCSA-N 0 1 228.336 2.107 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CC1 ZINC000738822321 603323251 /nfs/dbraw/zinc/32/32/51/603323251.db2.gz VXUKSVTUFMEXGP-LLVKDONJSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739112545 603329637 /nfs/dbraw/zinc/32/96/37/603329637.db2.gz SFPQFXICRZUWPJ-NEPJUHHUSA-N 0 1 240.347 2.108 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354753 603330122 /nfs/dbraw/zinc/33/01/22/603330122.db2.gz RZNDTMOTZRYEJB-LBPRGKRZSA-N 0 1 242.363 2.354 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739220661 603344903 /nfs/dbraw/zinc/34/49/03/603344903.db2.gz WUTHDWKXYXSHEV-SNVBAGLBSA-N 0 1 228.336 2.107 20 0 BEADMN CC1(C)CCC[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)C1 ZINC000739064326 603345235 /nfs/dbraw/zinc/34/52/35/603345235.db2.gz GXWARLALGAMQDB-LLVKDONJSA-N 0 1 240.347 2.108 20 0 BEADMN CC[N@@H+](C[C@H]1CCN(C(=O)[O-])C1)[C@H](C)C(C)C ZINC000739414763 603346323 /nfs/dbraw/zinc/34/63/23/603346323.db2.gz OSTXYPYIXUYGEI-VXGBXAGGSA-N 0 1 242.363 2.353 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739099040 603346424 /nfs/dbraw/zinc/34/64/24/603346424.db2.gz BWPZVTPWISFNHJ-NEPJUHHUSA-N 0 1 240.347 2.251 20 0 BEADMN C[N@@H+](CCCNC(=O)[O-])CCC1CCCC1 ZINC000739681558 603348338 /nfs/dbraw/zinc/34/83/38/603348338.db2.gz GNCJCOQNIIILLS-UHFFFAOYSA-N 0 1 228.336 2.156 20 0 BEADMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000739057858 604374468 /nfs/dbraw/zinc/37/44/68/604374468.db2.gz JHBPLLIPGPVSBR-ZYHUDNBSSA-N 0 1 234.299 2.090 20 0 BEADMN C[C@@H](CC(=O)[O-])SCC[C@@H]1CCC[N@H+]1C ZINC000707954286 604630193 /nfs/dbraw/zinc/63/01/93/604630193.db2.gz PTSNWQQIDFTZMI-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402195258 604673944 /nfs/dbraw/zinc/67/39/44/604673944.db2.gz HQPPPERHQAGNBR-AAEUAGOBSA-N 0 1 223.316 2.139 20 0 BEADMN CCc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)s1 ZINC000037474631 604756398 /nfs/dbraw/zinc/75/63/98/604756398.db2.gz FJVYCKDBHKDMJA-UHFFFAOYSA-N 0 1 239.340 2.360 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000251698019 604787898 /nfs/dbraw/zinc/78/78/98/604787898.db2.gz IRPAZOXNTMNWKT-GARJFASQSA-N 0 1 213.321 2.074 20 0 BEADMN Cc1ccoc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299985094 634404057 /nfs/dbraw/zinc/40/40/57/634404057.db2.gz IFIAAUCGZAIGPL-DMDPSCGWSA-N 0 1 249.310 2.273 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc(F)c2O)C1 ZINC000931426771 634435176 /nfs/dbraw/zinc/43/51/76/634435176.db2.gz NRULDIJWDZEDOZ-MRVPVSSYSA-N 0 1 223.247 2.013 20 0 BEADMN Cc1ccoc1CN[C@@H]1CCCc2n[nH]cc21 ZINC000335400414 634462991 /nfs/dbraw/zinc/46/29/91/634462991.db2.gz AWKGVKQQVWLXSE-LLVKDONJSA-N 0 1 231.299 2.478 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])no1 ZINC000093251536 634491541 /nfs/dbraw/zinc/49/15/41/634491541.db2.gz ZIJNCGDOAMDIAU-SECBINFHSA-N 0 1 240.303 2.241 20 0 BEADMN CO[C@H]1CCCN(Cc2nccn2C2CC2)CC1 ZINC000893512923 634550687 /nfs/dbraw/zinc/55/06/87/634550687.db2.gz ZHPLAHDUPDACGA-ZDUSSCGKSA-N 0 1 249.358 2.219 20 0 BEADMN CC(C)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000258067500 634559699 /nfs/dbraw/zinc/55/96/99/634559699.db2.gz LSEYHJDIWFNWHV-QMMMGPOBSA-N 0 1 240.328 2.039 20 0 BEADMN CC[C@@H](N[C@@H]1CNOC1)c1ccc(Cl)s1 ZINC000925865281 635565839 /nfs/dbraw/zinc/56/58/39/635565839.db2.gz XAKKNKLHJBWRKV-HTQZYQBOSA-N 0 1 246.763 2.346 20 0 BEADMN c1nc(CNC2CC3(C2)CCCC3)co1 ZINC000925869419 635582095 /nfs/dbraw/zinc/58/20/95/635582095.db2.gz LFQPOQILRUPBKI-UHFFFAOYSA-N 0 1 206.289 2.487 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1ccc(Cl)c(F)c1 ZINC000925870765 635585575 /nfs/dbraw/zinc/58/55/75/635585575.db2.gz IRVUQSFFLSGFLR-APPZFPTMSA-N 0 1 244.697 2.033 20 0 BEADMN CC[C@H](C)CN1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325588 631255370 /nfs/dbraw/zinc/25/53/70/631255370.db2.gz PZYAQVQMKUMLMB-JSGCOSHPSA-N 0 1 246.354 2.206 20 0 BEADMN COc1ccc(C[N@@H+](CCO)C2CCCC2)o1 ZINC000891441353 631292542 /nfs/dbraw/zinc/29/25/42/631292542.db2.gz SSXLHHUZCFVGGN-UHFFFAOYSA-N 0 1 239.315 2.025 20 0 BEADMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1C ZINC000076635564 631301311 /nfs/dbraw/zinc/30/13/11/631301311.db2.gz NHWRWSLWPNUOSW-UHFFFAOYSA-N 0 1 249.310 2.053 20 0 BEADMN CCc1ncc(CN[C@]23C[C@H]2COC32CCC2)o1 ZINC000933382013 631344685 /nfs/dbraw/zinc/34/46/85/631344685.db2.gz JEXWEPVBKDTLOB-IINYFYTJSA-N 0 1 248.326 2.038 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)C(C)C ZINC000178207680 631420065 /nfs/dbraw/zinc/42/00/65/631420065.db2.gz VTIUUXWAPDRBGB-GFCCVEGCSA-N 0 1 247.404 2.074 20 0 BEADMN CC[C@@H]1CCCCN1CCS(=O)(=O)C(C)C ZINC000178207680 631420068 /nfs/dbraw/zinc/42/00/68/631420068.db2.gz VTIUUXWAPDRBGB-GFCCVEGCSA-N 0 1 247.404 2.074 20 0 BEADMN OC[C@@H](NC/C(Cl)=C\Cl)C1CCCC1 ZINC000308545487 631423707 /nfs/dbraw/zinc/42/37/07/631423707.db2.gz ODGANSUVCGDGME-NAZIUFLLSA-N 0 1 238.158 2.446 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000308562858 631432374 /nfs/dbraw/zinc/43/23/74/631432374.db2.gz XCSISJWGLNUOGO-VIFPVBQESA-N 0 1 201.310 2.075 20 0 BEADMN CCC[C@H](C)C[N@@H+](CC(=O)[O-])C(C)C ZINC000051322594 631464976 /nfs/dbraw/zinc/46/49/76/631464976.db2.gz BEKMVYVKTNMIFD-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN Cc1cccc(C)c1CN(C)CC[S@@](C)=O ZINC000933764863 631507180 /nfs/dbraw/zinc/50/71/80/631507180.db2.gz VBJJRBVHHTVNFA-MRXNPFEDSA-N 0 1 239.384 2.114 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1O ZINC000933815846 631518111 /nfs/dbraw/zinc/51/81/11/631518111.db2.gz SWSWTSPWQLLQSM-SSDOTTSWSA-N 0 1 241.237 2.295 20 0 BEADMN CS[C@@H]1CC[C@@H](NCc2cocn2)C1 ZINC000308736858 631557645 /nfs/dbraw/zinc/55/76/45/631557645.db2.gz LTPVJUSRMYGPGA-PSASIEDQSA-N 0 1 212.318 2.048 20 0 BEADMN COc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC000893900758 635636306 /nfs/dbraw/zinc/63/63/06/635636306.db2.gz PVBAQSQADNBHCE-PWSUYJOCSA-N 0 1 239.315 2.145 20 0 BEADMN O=C1OCC[C@H]1CCN(Cc1ccoc1)C1CC1 ZINC000934004875 631583699 /nfs/dbraw/zinc/58/36/99/631583699.db2.gz SUUYDBWJWWIWGR-GFCCVEGCSA-N 0 1 249.310 2.197 20 0 BEADMN COc1ccc(C(C)C)cc1CN1CC[C@@H]1CO ZINC000934012988 631592722 /nfs/dbraw/zinc/59/27/22/631592722.db2.gz SXXFYOMZRPAXIL-CQSZACIVSA-N 0 1 249.354 2.385 20 0 BEADMN CC[C@H](OCC[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934014180 631593249 /nfs/dbraw/zinc/59/32/49/631593249.db2.gz ZLNCTPDYEATWMD-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN CC[C@H](OCCN1CC[C@@H]1CO)c1ccccc1 ZINC000934014180 631593257 /nfs/dbraw/zinc/59/32/57/631593257.db2.gz ZLNCTPDYEATWMD-CABCVRRESA-N 0 1 249.354 2.221 20 0 BEADMN OC[C@H]1CCN1[C@H]1CCc2c1cccc2Cl ZINC000934015811 631609775 /nfs/dbraw/zinc/60/97/75/631609775.db2.gz CFGRCKJWNSLZNA-RNCFNFMXSA-N 0 1 237.730 2.394 20 0 BEADMN OC[C@H]1CCN1[C@@H]1CCc2c1cccc2Cl ZINC000934015810 631611267 /nfs/dbraw/zinc/61/12/67/631611267.db2.gz CFGRCKJWNSLZNA-NOZJJQNGSA-N 0 1 237.730 2.394 20 0 BEADMN CC(C)Oc1ccc(CN2CC[C@@H]2CO)cc1 ZINC000934022974 631622029 /nfs/dbraw/zinc/62/20/29/631622029.db2.gz BTVXOQUYZNKQEU-CYBMUJFWSA-N 0 1 235.327 2.040 20 0 BEADMN CCC[C@H]1CC(=O)N(CN2CCC[C@H]2C)C1 ZINC000247516758 635666595 /nfs/dbraw/zinc/66/65/95/635666595.db2.gz ZNTZLPBUMBNZRP-NEPJUHHUSA-N 0 1 224.348 2.077 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC=CO2)C[C@@H](C)O1 ZINC000248883911 635681891 /nfs/dbraw/zinc/68/18/91/635681891.db2.gz LNTDAFMCCCXJLS-JHJVBQTASA-N 0 1 225.332 2.178 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC000248883925 635682954 /nfs/dbraw/zinc/68/29/54/635682954.db2.gz LNTDAFMCCCXJLS-YNEHKIRRSA-N 0 1 225.332 2.178 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@H](C)C(C)(C)C ZINC000308787588 631647324 /nfs/dbraw/zinc/64/73/24/631647324.db2.gz GYKOOOYAIDYHCZ-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CS[C@@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000308826415 631674012 /nfs/dbraw/zinc/67/40/12/631674012.db2.gz DTUXGAQWDPARHJ-NKWVEPMBSA-N 0 1 215.322 2.149 20 0 BEADMN c1cc(CN[C@@H]2CC[C@H]2C2CCC2)no1 ZINC000308857165 631697509 /nfs/dbraw/zinc/69/75/09/631697509.db2.gz QGVNCCJVNHOTJC-NWDGAFQWSA-N 0 1 206.289 2.343 20 0 BEADMN FC(F)C1(NCc2cnc[nH]2)CCCC1 ZINC000308859622 631699274 /nfs/dbraw/zinc/69/92/74/631699274.db2.gz ARPZEGDYKXHSKP-UHFFFAOYSA-N 0 1 215.247 2.077 20 0 BEADMN CC(C)(C)OC(=O)[C@H]1CCN(C/C=C/Cl)C1 ZINC000178509494 631733093 /nfs/dbraw/zinc/73/30/93/631733093.db2.gz MYEPDCYIXNPABM-RWCYGVJQSA-N 0 1 245.750 2.403 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H](C)Cc2cccnc2)o1 ZINC000934232485 631739005 /nfs/dbraw/zinc/73/90/05/631739005.db2.gz ADCXEPIFVAKTIQ-UWVGGRQHSA-N 0 1 246.314 2.055 20 0 BEADMN CC1(C(=O)Nc2ccc3[nH]nnc3c2)CC=CC1 ZINC000934233905 631739785 /nfs/dbraw/zinc/73/97/85/631739785.db2.gz LSUGHWCKACRZTB-UHFFFAOYSA-N 0 1 242.282 2.253 20 0 BEADMN CC[N@H+](CC(=O)[O-])CC(C(C)C)C(C)C ZINC000308937565 631743692 /nfs/dbraw/zinc/74/36/92/631743692.db2.gz QPVMUEQLHQMGHS-UHFFFAOYSA-N 0 1 215.337 2.321 20 0 BEADMN FC(F)C1(N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926364057 631750298 /nfs/dbraw/zinc/75/02/98/631750298.db2.gz CDVIZSXLSVWBGM-WDEREUQCSA-N 0 1 244.329 2.391 20 0 BEADMN Cc1cncc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000934277590 631758281 /nfs/dbraw/zinc/75/82/81/631758281.db2.gz QWGGQAPBNRGSKG-ZDUSSCGKSA-N 0 1 247.342 2.201 20 0 BEADMN Cc1cncc(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000934277590 631758285 /nfs/dbraw/zinc/75/82/85/631758285.db2.gz QWGGQAPBNRGSKG-ZDUSSCGKSA-N 0 1 247.342 2.201 20 0 BEADMN CCC(CC)(NC[Si](C)(C)C)C(=O)OC ZINC000308964515 631771303 /nfs/dbraw/zinc/77/13/03/631771303.db2.gz UMAIWYFOICSSJM-UHFFFAOYSA-N 0 1 231.412 2.185 20 0 BEADMN C[C@H](N[C@H]1CCOC12CCCC2)c1ncccn1 ZINC000934381832 631813478 /nfs/dbraw/zinc/81/34/78/631813478.db2.gz AENPNCYQMZBPAZ-RYUDHWBXSA-N 0 1 247.342 2.229 20 0 BEADMN CCN[C@H](C)c1nc(-c2cccc(C)n2)no1 ZINC000110476113 631829170 /nfs/dbraw/zinc/82/91/70/631829170.db2.gz PAGSZSWZRRGGCQ-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000158208222 631835600 /nfs/dbraw/zinc/83/56/00/631835600.db2.gz KTLNCGUYSMFDFQ-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1nc(C(C)(C)NC[Si](C)(C)C)no1 ZINC000309100006 631881754 /nfs/dbraw/zinc/88/17/54/631881754.db2.gz GHMVIABQANOZDV-UHFFFAOYSA-N 0 1 227.384 2.080 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000049750733 631911502 /nfs/dbraw/zinc/91/15/02/631911502.db2.gz PUYDSFQVTIQUOF-TXEJJXNPSA-N 0 1 227.348 2.308 20 0 BEADMN Cc1ccc(C)c(CN2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000934565239 631929756 /nfs/dbraw/zinc/92/97/56/631929756.db2.gz KSVAKNATPIYCDZ-UONOGXRCSA-N 0 1 237.318 2.208 20 0 BEADMN CCCCCCN1CCC[C@@H]1C(=O)OC ZINC000050048193 631936662 /nfs/dbraw/zinc/93/66/62/631936662.db2.gz TZYSUTFFKUWJCQ-LLVKDONJSA-N 0 1 213.321 2.204 20 0 BEADMN O[C@@H]1CCN(C[C@H]2CCc3ccccc32)C[C@@H]1F ZINC000934571108 631942923 /nfs/dbraw/zinc/94/29/23/631942923.db2.gz OUJGXPUDFOZEDW-VHDGCEQUSA-N 0 1 249.329 2.121 20 0 BEADMN C[C@H](c1ccccc1)N1CC[C@H](O)[C@H](F)C1 ZINC000934578012 631950249 /nfs/dbraw/zinc/95/02/49/631950249.db2.gz YRORQBGYDXEBIR-RTXFEEFZSA-N 0 1 223.291 2.152 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1cccc(Cl)n1 ZINC000309265535 631980540 /nfs/dbraw/zinc/98/05/40/631980540.db2.gz CAVNWBNSXNPMEV-SNVBAGLBSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H](NCCC1(F)CCC1)c1cc(CO)on1 ZINC000926425336 631989057 /nfs/dbraw/zinc/98/90/57/631989057.db2.gz ACKZJQLZPANUQF-SECBINFHSA-N 0 1 242.294 2.100 20 0 BEADMN Cc1nonc1[C@@H](C)NC[C@@H]1CCCSC1 ZINC000926432785 632020505 /nfs/dbraw/zinc/02/05/05/632020505.db2.gz XAMYVSVATDWHLN-SCZZXKLOSA-N 0 1 241.360 2.172 20 0 BEADMN CC[C@H](C)CN(C)CN1C(=O)CC12CCC2 ZINC000743364625 632047822 /nfs/dbraw/zinc/04/78/22/632047822.db2.gz OFFIFLGLGRMUOV-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN C[C@@](O)(CN1CCOC(C)(C)C1)c1ccccc1 ZINC000052097028 632072003 /nfs/dbraw/zinc/07/20/03/632072003.db2.gz YZLTWBMPBHCVHY-OAHLLOKOSA-N 0 1 249.354 2.005 20 0 BEADMN CCCC[N@@H+](C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000218880123 632093508 /nfs/dbraw/zinc/09/35/08/632093508.db2.gz WECPQSRIGSKCLN-UWVGGRQHSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1ncc(CCN[C@@H](C)c2ncc[nH]2)s1 ZINC000309517437 632434546 /nfs/dbraw/zinc/43/45/46/632434546.db2.gz ZBLLCVXFISILMX-QMMMGPOBSA-N 0 1 236.344 2.068 20 0 BEADMN Cn1cnc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000309518560 632434619 /nfs/dbraw/zinc/43/46/19/632434619.db2.gz ATOGECBLCUJQHE-VIFPVBQESA-N 0 1 229.274 2.088 20 0 BEADMN CCc1nc(CN[C@@H](C)Cc2ccccn2)co1 ZINC000926538435 632460421 /nfs/dbraw/zinc/46/04/21/632460421.db2.gz XBVDCXBWRICHDY-NSHDSACASA-N 0 1 245.326 2.353 20 0 BEADMN CCn1cc([C@@H](C)N[C@@H](C)c2ccnnc2)cn1 ZINC000926542444 632466343 /nfs/dbraw/zinc/46/63/43/632466343.db2.gz NDWNCCRAUTUJHV-WDEREUQCSA-N 0 1 245.330 2.105 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCC1(C)CC1 ZINC000935190575 632493115 /nfs/dbraw/zinc/49/31/15/632493115.db2.gz RCZRPZCFHNMPSD-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CCc1nnc(CN[C@@H]2CCS[C@H]2C)s1 ZINC000309033684 632619671 /nfs/dbraw/zinc/61/96/71/632619671.db2.gz GSOJIHMFIDACRQ-JGVFFNPUSA-N 0 1 243.401 2.084 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(CC(C)C)C2CC2)C1 ZINC000176936212 632642835 /nfs/dbraw/zinc/64/28/35/632642835.db2.gz WRFMSNJFSQYYBL-GFCCVEGCSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC1(C)CCC1 ZINC000309774807 632669030 /nfs/dbraw/zinc/66/90/30/632669030.db2.gz PKDATHCXGLYPGP-GHMZBOCLSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)N1CCN(C(=O)OC2CCCC2)CC1 ZINC000310091606 632700231 /nfs/dbraw/zinc/70/02/31/632700231.db2.gz FQJJJIOKXXQODV-UHFFFAOYSA-N 0 1 240.347 2.092 20 0 BEADMN C[C@H]1CC(C)(C)C[C@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000235572321 632788892 /nfs/dbraw/zinc/78/88/92/632788892.db2.gz PCBNCMDGSADHGF-HBNTYKKESA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)c1cccc(C(=O)Nc2c[nH]nn2)c1 ZINC000935595386 632847772 /nfs/dbraw/zinc/84/77/72/632847772.db2.gz DQLBMIPCNGNKLR-UHFFFAOYSA-N 0 1 230.271 2.180 20 0 BEADMN C[C@H](CCC(=O)Nc1c[nH]nn1)c1ccccc1 ZINC000935596589 632850801 /nfs/dbraw/zinc/85/08/01/632850801.db2.gz NQJLXGNSLBQZEX-SNVBAGLBSA-N 0 1 244.298 2.327 20 0 BEADMN CCCSC[C@H](C)NCc1cc[nH]n1 ZINC000892515345 632868930 /nfs/dbraw/zinc/86/89/30/632868930.db2.gz NOORBAXCCQLGIT-VIFPVBQESA-N 0 1 213.350 2.031 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cn2c(n1)CCCC2 ZINC000926725668 632882628 /nfs/dbraw/zinc/88/26/28/632882628.db2.gz AJQSESQJWWAZBW-QKCSRTOESA-N 0 1 249.358 2.047 20 0 BEADMN CC(C)OC[C@H](C)NCc1cccc(F)n1 ZINC000309405908 633021275 /nfs/dbraw/zinc/02/12/75/633021275.db2.gz XDLAGELMOKJEGH-JTQLQIEISA-N 0 1 226.295 2.124 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@H](C)[C@@H]2C)on1 ZINC000925067273 635887482 /nfs/dbraw/zinc/88/74/82/635887482.db2.gz MWIBKXATNKACAN-OPQQBVKSSA-N 0 1 238.331 2.311 20 0 BEADMN CC(C)c1cc(CN[C@@H]2CO[C@H](C)[C@H]2C)on1 ZINC000925067271 635888324 /nfs/dbraw/zinc/88/83/24/635888324.db2.gz MWIBKXATNKACAN-GIPNMCIBSA-N 0 1 238.331 2.311 20 0 BEADMN C[C@@H](NCCC[C@@H]1C=CCC1)c1cnn(C)n1 ZINC000926822378 633163558 /nfs/dbraw/zinc/16/35/58/633163558.db2.gz CIMHGIGQHALTKA-VXGBXAGGSA-N 0 1 234.347 2.212 20 0 BEADMN COCc1noc([C@H](C)N2CC[C@@H](C)[C@H]2C)n1 ZINC000181948302 633167945 /nfs/dbraw/zinc/16/79/45/633167945.db2.gz STTJLLHTTZZMJS-BBBLOLIVSA-N 0 1 239.319 2.007 20 0 BEADMN CC[C@H](CC(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928432345 635920354 /nfs/dbraw/zinc/92/03/54/635920354.db2.gz JGWXBUHZGFRXHX-UPJWGTAASA-N 0 1 240.391 2.268 20 0 BEADMN CO[C@H](C)CN(C)Cc1ccc(SC)o1 ZINC000894756987 635921304 /nfs/dbraw/zinc/92/13/04/635921304.db2.gz PIHVTDVNTDWUIB-SECBINFHSA-N 0 1 229.345 2.468 20 0 BEADMN CC(C)(O)CCN1CCC=C(Br)C1 ZINC000306277219 635960066 /nfs/dbraw/zinc/96/00/66/635960066.db2.gz FMSPRLJEANJLGR-UHFFFAOYSA-N 0 1 248.164 2.132 20 0 BEADMN CC(C)[C@H]1N(Cc2c[nH]cn2)CC12CCOCC2 ZINC000894998698 636014061 /nfs/dbraw/zinc/01/40/61/636014061.db2.gz NHNHRPRJXBHAQO-CYBMUJFWSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1nnc([C@H](C)N[C@@H]2CC[C@H]2C)s1 ZINC000307266620 635985802 /nfs/dbraw/zinc/98/58/02/635985802.db2.gz DAAVWIYSLLTEFH-BKPPORCPSA-N 0 1 211.334 2.296 20 0 BEADMN CC1(C)C[C@@H]1NCc1nc(Br)c[nH]1 ZINC000307597224 635991074 /nfs/dbraw/zinc/99/10/74/635991074.db2.gz NJRIRYPDFFVRDX-LURJTMIESA-N 0 1 244.136 2.060 20 0 BEADMN COc1cc([C@H](C)N[C@@H](C)CSC)on1 ZINC000925095074 636001123 /nfs/dbraw/zinc/00/11/23/636001123.db2.gz IMAMUHROSIJXQE-YUMQZZPRSA-N 0 1 230.333 2.085 20 0 BEADMN CN(Cc1nccn1C1CC1)C(C)(C)C ZINC000895116249 636064367 /nfs/dbraw/zinc/06/43/67/636064367.db2.gz KBZXPSVKKUQRSE-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)NC[C@H]1CCN1C ZINC000928553110 636089288 /nfs/dbraw/zinc/08/92/88/636089288.db2.gz DSVFSMMOXYHMRJ-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCCC(C)(C)CC(=O)NC[C@@H]1CCN1C ZINC000928554232 636090045 /nfs/dbraw/zinc/09/00/45/636090045.db2.gz GLJNTSVUVMSDEX-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C ZINC000928556643 636096310 /nfs/dbraw/zinc/09/63/10/636096310.db2.gz UFSGGRTUMLXGAJ-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN CCC1(C(=O)NC[C@H]2CCN2C)CCCCC1 ZINC000928558371 636099197 /nfs/dbraw/zinc/09/91/97/636099197.db2.gz KOYKTGDRFJJHAE-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN2C)CC1 ZINC000928561241 636107459 /nfs/dbraw/zinc/10/74/59/636107459.db2.gz YVJORLBHZHMLIG-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](CC(=O)NC[C@@H]1CCN1C)CC(C)(C)C ZINC000928561985 636108526 /nfs/dbraw/zinc/10/85/26/636108526.db2.gz BSPOHDFLFAHXDU-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CN1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC000928562031 636108899 /nfs/dbraw/zinc/10/88/99/636108899.db2.gz CGZJEIIKJGQKKP-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC[C@@H]1CCN1C ZINC000928569995 636115155 /nfs/dbraw/zinc/11/51/55/636115155.db2.gz PLXAHNSZIHSCHJ-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@@H]1CCN1C ZINC000928571374 636118025 /nfs/dbraw/zinc/11/80/25/636118025.db2.gz MVHGIUAJPHZYDV-MBNYWOFBSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](CC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928572969 636119141 /nfs/dbraw/zinc/11/91/41/636119141.db2.gz MEZCHZMOUMZUIG-JSGCOSHPSA-N 0 1 246.354 2.001 20 0 BEADMN CC1(C)OCC[C@@H]1NC/C(Cl)=C\Cl ZINC000328256774 633747506 /nfs/dbraw/zinc/74/75/06/633747506.db2.gz QKVODJLXMZHAAL-IVGLGHLBSA-N 0 1 224.131 2.463 20 0 BEADMN COc1cc([C@H](C)N[C@@H](C)C(C)(C)OC)on1 ZINC000926894768 633819067 /nfs/dbraw/zinc/81/90/67/633819067.db2.gz QFVAIAYQVHPFEF-IUCAKERBSA-N 0 1 242.319 2.147 20 0 BEADMN Cc1nnc(CNC[C@H](C)c2ccncc2)s1 ZINC000893097314 633832209 /nfs/dbraw/zinc/83/22/09/633832209.db2.gz KADHFGXLTFCQQF-VIFPVBQESA-N 0 1 248.355 2.135 20 0 BEADMN Cc1cc(N)nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000893121504 633842939 /nfs/dbraw/zinc/84/29/39/633842939.db2.gz RRGAPBQWGQCUTQ-DLOVCJGASA-N 0 1 246.358 2.382 20 0 BEADMN Cc1cc(N)nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1 ZINC000893121505 633843274 /nfs/dbraw/zinc/84/32/74/633843274.db2.gz RRGAPBQWGQCUTQ-MVWJERBFSA-N 0 1 246.358 2.382 20 0 BEADMN Fc1cnc(Cl)c(CN[C@H]2CCCOC2)c1 ZINC000295208198 633852027 /nfs/dbraw/zinc/85/20/27/633852027.db2.gz ZRAJLXYLVAWBKD-JTQLQIEISA-N 0 1 244.697 2.143 20 0 BEADMN CCCC[C@H](CC)NCc1nonc1C ZINC000309241437 633874310 /nfs/dbraw/zinc/87/43/10/633874310.db2.gz YIHQAQUJRIVATC-JTQLQIEISA-N 0 1 211.309 2.436 20 0 BEADMN C[C@@H]1CCC[C@H](CCNCc2cnn(C)n2)C1 ZINC000310241001 634100679 /nfs/dbraw/zinc/10/06/79/634100679.db2.gz IUNLNQZOJINLPD-VXGBXAGGSA-N 0 1 236.363 2.121 20 0 BEADMN C[C@@H]1CCC[C@@H](CCNCc2cnn(C)n2)C1 ZINC000310240995 634101060 /nfs/dbraw/zinc/10/10/60/634101060.db2.gz IUNLNQZOJINLPD-NEPJUHHUSA-N 0 1 236.363 2.121 20 0 BEADMN Cn1cnc(CNCCSc2ccccc2)c1 ZINC000310280864 634104563 /nfs/dbraw/zinc/10/45/63/634104563.db2.gz WKHRYKMTZOTMAF-UHFFFAOYSA-N 0 1 247.367 2.302 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@@H]1C1CCC1 ZINC000930818951 634115228 /nfs/dbraw/zinc/11/52/28/634115228.db2.gz BBICUMAJEFABGY-TZWLIRKLSA-N 0 1 239.359 2.080 20 0 BEADMN CCC[C@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000188288532 634140020 /nfs/dbraw/zinc/14/00/20/634140020.db2.gz IRSDUCCOFZZVIP-JTQLQIEISA-N 0 1 239.319 2.249 20 0 BEADMN C[C@@H](NC1(C2CCC2)CC1)c1ncccn1 ZINC000930859092 634142550 /nfs/dbraw/zinc/14/25/50/634142550.db2.gz VWPNANYHKKPIQE-SNVBAGLBSA-N 0 1 217.316 2.460 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@@H]1CC[C@H](C)O1 ZINC000188570958 634148567 /nfs/dbraw/zinc/14/85/67/634148567.db2.gz RFCQSHHVQKDAMM-CABZTGNLSA-N 0 1 238.331 2.291 20 0 BEADMN COC[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189349955 634180208 /nfs/dbraw/zinc/18/02/08/634180208.db2.gz ADZVBLQRKXEIJV-LBPRGKRZSA-N 0 1 238.306 2.079 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])CC1(OC)CCCCC1 ZINC000319289265 634214162 /nfs/dbraw/zinc/21/41/62/634214162.db2.gz JOBPIUAJHBCBAK-UHFFFAOYSA-N 0 1 243.347 2.132 20 0 BEADMN CC[C@@H](CO)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000931084610 634214583 /nfs/dbraw/zinc/21/45/83/634214583.db2.gz QQYCXMKBARRHQJ-STQMWFEESA-N 0 1 234.343 2.235 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccncc1 ZINC000192246069 634228415 /nfs/dbraw/zinc/22/84/15/634228415.db2.gz AVOZQGMGZDIOHN-MNOVXSKESA-N 0 1 230.315 2.227 20 0 BEADMN CC(C)=CCOC(=O)CCCCc1cn[nH]n1 ZINC000192840141 634252289 /nfs/dbraw/zinc/25/22/89/634252289.db2.gz LKNSCRNSJVPTLP-UHFFFAOYSA-N 0 1 237.303 2.027 20 0 BEADMN CC/C=C/CCN1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931314445 634332591 /nfs/dbraw/zinc/33/25/91/634332591.db2.gz ANIQJFZZCYQGJD-SNAWJCMRSA-N 0 1 233.315 2.163 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)C(F)F)ccc12 ZINC000194830710 634334849 /nfs/dbraw/zinc/33/48/49/634334849.db2.gz SYVKGFVPHULFAK-UHFFFAOYSA-N 0 1 225.198 2.075 20 0 BEADMN COCc1ccc(NCc2cn[nH]c2C)cc1 ZINC000195463492 634361555 /nfs/dbraw/zinc/36/15/55/634361555.db2.gz HLYYVPOFKGBRFY-UHFFFAOYSA-N 0 1 231.299 2.477 20 0 BEADMN Fc1ccc(-c2noc([C@H]3CCCCN3)n2)nc1 ZINC000094043741 635171920 /nfs/dbraw/zinc/17/19/20/635171920.db2.gz ZKINJJRMPVMKQP-SNVBAGLBSA-N 0 1 248.261 2.085 20 0 BEADMN Cc1cc(CN2CCC(c3cn[nH]c3)CC2)on1 ZINC000336686000 635218921 /nfs/dbraw/zinc/21/89/21/635218921.db2.gz AGSUDQYWMALQBE-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN C[C@@H](O)[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000336777219 635288132 /nfs/dbraw/zinc/28/81/32/635288132.db2.gz HSBSNHSZYMSKEO-RKDXNWHRSA-N 0 1 242.388 2.300 20 0 BEADMN CC[C@@H](CO)NCc1c(F)ccc(C)c1F ZINC000931772667 635334803 /nfs/dbraw/zinc/33/48/03/635334803.db2.gz ODRCOMBMMLTAPK-VIFPVBQESA-N 0 1 229.270 2.134 20 0 BEADMN COCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932078174 635553349 /nfs/dbraw/zinc/55/33/49/635553349.db2.gz GQBZDCAPKDEDRK-QMMMGPOBSA-N 0 1 243.294 2.003 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1cc2ccccc2s1 ZINC000925862547 635561526 /nfs/dbraw/zinc/56/15/26/635561526.db2.gz UDMOUJOUZQMCKH-MWLCHTKSSA-N 0 1 248.351 2.455 20 0 BEADMN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])n2)CC[C@@H]1C ZINC000235670757 635584008 /nfs/dbraw/zinc/58/40/08/635584008.db2.gz GCKGHHMHFSSWIJ-QWRGUYRKSA-N 0 1 248.326 2.258 20 0 BEADMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H]1CNOC1 ZINC000925870270 635584733 /nfs/dbraw/zinc/58/47/33/635584733.db2.gz CHQRRQUKFKQPDD-NTZNESFSSA-N 0 1 232.327 2.036 20 0 BEADMN CC(C)[C@H]1C[C@@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870319 635584907 /nfs/dbraw/zinc/58/49/07/635584907.db2.gz WAQHHRICFYRDIK-NILFDRSVSA-N 0 1 246.354 2.364 20 0 BEADMN CC[C@](C)(C[N@H+]1CCCCC[C@@H]1C(=O)[O-])OC ZINC000319418760 635621096 /nfs/dbraw/zinc/62/10/96/635621096.db2.gz IAXQWGVGUIFDFI-DGCLKSJQSA-N 0 1 243.347 2.131 20 0 BEADMN C[C@@H](NCCc1ccccc1O)c1cn(C)cn1 ZINC000924898721 635754845 /nfs/dbraw/zinc/75/48/45/635754845.db2.gz QFPIVJWEUFJTCE-LLVKDONJSA-N 0 1 245.326 2.019 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC000895874479 636180259 /nfs/dbraw/zinc/18/02/59/636180259.db2.gz HIDFKIGWPWTAOC-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ncc2n1C[C@@H](c1nc(C3CC3)no1)CC2 ZINC000895986830 636186157 /nfs/dbraw/zinc/18/61/57/636186157.db2.gz UVNXNEGJWZDOBC-JTQLQIEISA-N 0 1 244.298 2.182 20 0 BEADMN CCc1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000148057796 636223780 /nfs/dbraw/zinc/22/37/80/636223780.db2.gz JEFGXKILMZFVAF-UHFFFAOYSA-N 0 1 246.354 2.073 20 0 BEADMN C[C@H]1CCCC[C@]1(C)NC(=O)[C@H]1CCCN1C ZINC000909566019 636254266 /nfs/dbraw/zinc/25/42/66/636254266.db2.gz GKSDOMLNPQJOSK-SCRDCRAPSA-N 0 1 238.375 2.166 20 0 BEADMN COC[C@H](N[C@H](C)c1cc(OC)no1)C(C)C ZINC000925139983 636269661 /nfs/dbraw/zinc/26/96/61/636269661.db2.gz NTWMDGSDMFIWKJ-ZJUUUORDSA-N 0 1 242.319 2.005 20 0 BEADMN CC[C@H](C[C@H](C)CO)N[C@H](C)c1ncco1 ZINC000925186611 636363129 /nfs/dbraw/zinc/36/31/29/636363129.db2.gz FINTURKMPNPUDI-HBNTYKKESA-N 0 1 226.320 2.122 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H](C)c1ccncc1 ZINC000925227435 636432824 /nfs/dbraw/zinc/43/28/24/636432824.db2.gz ZEQBZKPQMZVARV-ZJUUUORDSA-N 0 1 246.314 2.227 20 0 BEADMN C(N[C@H]1CCC12CCC2)c1noc2c1COCC2 ZINC000897366626 636492159 /nfs/dbraw/zinc/49/21/59/636492159.db2.gz MNZLAXTVBWPOOE-ZDUSSCGKSA-N 0 1 248.326 2.170 20 0 BEADMN C[C@H](NC[C@H]1CCCS1)c1ncco1 ZINC000925256097 636527339 /nfs/dbraw/zinc/52/73/39/636527339.db2.gz CYQMOZZDTFCWMJ-DTWKUNHWSA-N 0 1 212.318 2.221 20 0 BEADMN C[N@@H+](CC(=O)[O-])CC12CC3CC(CC(C3)C1)C2 ZINC000035084307 636707604 /nfs/dbraw/zinc/70/76/04/636707604.db2.gz ABVIVDRVQRQFAU-UHFFFAOYSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)C(N)=NOCc1ncccc1Cl ZINC000863466704 636710728 /nfs/dbraw/zinc/71/07/28/636710728.db2.gz AGUAPURFHNSPQL-UHFFFAOYSA-N 0 1 227.695 2.389 20 0 BEADMN C[C@@H](NCC1(F)CC1)c1cncs1 ZINC000897932586 636846963 /nfs/dbraw/zinc/84/69/63/636846963.db2.gz NNLMJGLQNDXMJH-SSDOTTSWSA-N 0 1 200.282 2.296 20 0 BEADMN C[C@@H](NC[C@]12CCC[C@H]1OCC2)c1ncco1 ZINC000926914810 636943161 /nfs/dbraw/zinc/94/31/61/636943161.db2.gz BWBWUCQXBRSCKF-NQBHXWOUSA-N 0 1 236.315 2.284 20 0 BEADMN CC(C)[C@@H](N)c1noc(Cc2ccsc2)n1 ZINC000041052626 636958529 /nfs/dbraw/zinc/95/85/29/636958529.db2.gz RSUFWSJCNMODCC-SNVBAGLBSA-N 0 1 237.328 2.378 20 0 BEADMN Cc1ccoc1-c1nc([C@H](N)C(C)C)no1 ZINC000041052597 636958691 /nfs/dbraw/zinc/95/86/91/636958691.db2.gz GYWFUJIWRXVULM-MRVPVSSYSA-N 0 1 221.260 2.294 20 0 BEADMN CC(C)[C@H](N)c1noc(Cc2cccs2)n1 ZINC000041052649 636959630 /nfs/dbraw/zinc/95/96/30/636959630.db2.gz XNSUWQMLTVKXMZ-JTQLQIEISA-N 0 1 237.328 2.378 20 0 BEADMN Cc1ccc(CCN[C@H]2C[C@@H](C)n3ncnc32)o1 ZINC000924653547 636976479 /nfs/dbraw/zinc/97/64/79/636976479.db2.gz ABEQGQZHBBMONA-SKDRFNHKSA-N 0 1 246.314 2.018 20 0 BEADMN CCC[C@@H](O)CCN[C@H](C)c1cc(C)on1 ZINC000927015043 636988108 /nfs/dbraw/zinc/98/81/08/636988108.db2.gz FGNFFXSKYQUVPT-GHMZBOCLSA-N 0 1 226.320 2.185 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)OCC1CCC1 ZINC000923889711 637002153 /nfs/dbraw/zinc/00/21/53/637002153.db2.gz ATSRMYCJISHGHY-LBPRGKRZSA-N 0 1 225.332 2.203 20 0 BEADMN COc1ccc(CNC/C=C/Cl)cc1O ZINC000898436921 637042448 /nfs/dbraw/zinc/04/24/48/637042448.db2.gz WWWCPXWXRRFEGS-GORDUTHDSA-N 0 1 227.691 2.243 20 0 BEADMN CC[C@@H](C)CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000898662056 637052095 /nfs/dbraw/zinc/05/20/95/637052095.db2.gz LNEAAKSFTCMOOB-NEPJUHHUSA-N 0 1 240.391 2.412 20 0 BEADMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1ccn(C)n1 ZINC000927157357 637067899 /nfs/dbraw/zinc/06/78/99/637067899.db2.gz DOGWTLPMFDXMNC-AAEUAGOBSA-N 0 1 249.358 2.172 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1=CCCC1 ZINC000898976862 637068643 /nfs/dbraw/zinc/06/86/43/637068643.db2.gz CGYWQNWYZUILKN-GFCCVEGCSA-N 0 1 236.359 2.086 20 0 BEADMN COc1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000042162697 637077597 /nfs/dbraw/zinc/07/75/97/637077597.db2.gz QEIWRFLSAZAKNG-GFCCVEGCSA-N 0 1 249.310 2.134 20 0 BEADMN CCCc1ccc(C[N@@H+](C)CC(=O)[O-])s1 ZINC000901575187 637267302 /nfs/dbraw/zinc/26/73/02/637267302.db2.gz MYYVZBOEHNHWDZ-UHFFFAOYSA-N 0 1 227.329 2.217 20 0 BEADMN C[C@H](CN(C)CN1CCOC1=O)C(C)(C)C ZINC000902363558 637301420 /nfs/dbraw/zinc/30/14/20/637301420.db2.gz WTQCFJRGDCKAEX-SNVBAGLBSA-N 0 1 228.336 2.010 20 0 BEADMN CCCC(N)=NOC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000902705026 637325647 /nfs/dbraw/zinc/32/56/47/637325647.db2.gz PLXGDHSUDIWMOS-URLYPYJESA-N 0 1 228.336 2.489 20 0 BEADMN CCn1cnc(CNC[C@]2(C)CC2(F)F)c1 ZINC000904439922 637411408 /nfs/dbraw/zinc/41/14/08/637411408.db2.gz SIWCLMVBWLBTFO-JTQLQIEISA-N 0 1 229.274 2.038 20 0 BEADMN CC(C)[C@@H](N)c1noc([C@@]2(C)C=CCC2)n1 ZINC000904500353 637428048 /nfs/dbraw/zinc/42/80/48/637428048.db2.gz KYDHFDIVXAMHQD-SKDRFNHKSA-N 0 1 221.304 2.333 20 0 BEADMN C[C@@H](c1noc(C23CCC(CC2)N3)n1)C1CC1 ZINC000904633582 637446937 /nfs/dbraw/zinc/44/69/37/637446937.db2.gz KMGLPTKVJURYDA-NCZMNARYSA-N 0 1 233.315 2.324 20 0 BEADMN CCC[C@H](CC)S(=O)(=O)Cc1[nH]ncc1C ZINC000905251110 637711156 /nfs/dbraw/zinc/71/11/56/637711156.db2.gz AANPTIANTXTBPC-JTQLQIEISA-N 0 1 244.360 2.212 20 0 BEADMN NC1(c2noc(C3(C4CC4)CCC3)n2)CCC1 ZINC000905304908 637761250 /nfs/dbraw/zinc/76/12/50/637761250.db2.gz ODWQFHNMCWAWHB-UHFFFAOYSA-N 0 1 233.315 2.239 20 0 BEADMN NC1(c2noc(-c3c[nH]cc3C3CC3)n2)CCC1 ZINC000905303936 637762976 /nfs/dbraw/zinc/76/29/76/637762976.db2.gz GSOUFASCDKJDEX-UHFFFAOYSA-N 0 1 244.298 2.280 20 0 BEADMN CSc1cncc(NCc2cn[nH]c2C)c1 ZINC000905415230 637803146 /nfs/dbraw/zinc/80/31/46/637803146.db2.gz VCNUUSAJJLJPTQ-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN C[C@H]1CCCCN1CC[S@@](=O)C(F)(F)F ZINC000905874876 637959208 /nfs/dbraw/zinc/95/92/08/637959208.db2.gz OCRFEKJVJMSMOP-VXJOIVPMSA-N 0 1 243.294 2.129 20 0 BEADMN Cc1cccc(NC2CC(CC(=O)[O-])C2)[nH+]1 ZINC000906152441 638078681 /nfs/dbraw/zinc/07/86/81/638078681.db2.gz QIOYTMKZAQWQCR-UHFFFAOYSA-N 0 1 220.272 2.055 20 0 BEADMN c1cncc(-c2cnc([C@H]3CCCCN3)nc2)c1 ZINC000906164906 638081065 /nfs/dbraw/zinc/08/10/65/638081065.db2.gz NGWRNNWKJTYYFV-CYBMUJFWSA-N 0 1 240.310 2.353 20 0 BEADMN C[C@H](N(C)Cc1cn(C2CC2)nn1)C(C)(C)C ZINC000906259800 638128281 /nfs/dbraw/zinc/12/82/81/638128281.db2.gz GZSYWWSNMKCZNM-JTQLQIEISA-N 0 1 236.363 2.479 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cn(C2CC2)nn1 ZINC000906296542 638135821 /nfs/dbraw/zinc/13/58/21/638135821.db2.gz MPQPAKCYMUAACH-ZWNOBZJWSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cn(C3CC3)nn2)C1 ZINC000906303292 638138686 /nfs/dbraw/zinc/13/86/86/638138686.db2.gz ULBKZNRVJCDVQT-GRYCIOLGSA-N 0 1 248.374 2.479 20 0 BEADMN C[C@@H](CNC(=O)c1ccc(CN)o1)C(C)(C)C ZINC000149240347 638250590 /nfs/dbraw/zinc/25/05/90/638250590.db2.gz UIQOUZRLFXEATG-VIFPVBQESA-N 0 1 238.331 2.150 20 0 BEADMN CC(Cl)=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000907368174 638364051 /nfs/dbraw/zinc/36/40/51/638364051.db2.gz LHBIKUGUNFKSNE-WAYWQWQTSA-N 0 1 240.694 2.153 20 0 BEADMN C/C(Cl)=C/C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000907368174 638364056 /nfs/dbraw/zinc/36/40/56/638364056.db2.gz LHBIKUGUNFKSNE-WAYWQWQTSA-N 0 1 240.694 2.153 20 0 BEADMN CC[C@@H](NC(=O)C=C(C)Cl)c1ncc[nH]1 ZINC000907436718 638381898 /nfs/dbraw/zinc/38/18/98/638381898.db2.gz WRKCVFQYMZBGPT-NFXKFNAJSA-N 0 1 227.695 2.120 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)CC1 ZINC000907630645 638423704 /nfs/dbraw/zinc/42/37/04/638423704.db2.gz MZLGYAQRADCMAP-DTWKUNHWSA-N 0 1 239.294 2.247 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1cnc[nH]1 ZINC000908551241 639011517 /nfs/dbraw/zinc/01/15/17/639011517.db2.gz JTXFLORZWBIKDC-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN O=C(Cc1cnc[nH]1)NCC1CCCCCC1 ZINC000908947061 639098002 /nfs/dbraw/zinc/09/80/02/639098002.db2.gz ZAOTZVADXBKHRH-UHFFFAOYSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H](C)N1CCN(C(=O)/C=C(\C)Cl)CC1 ZINC000909262454 639187060 /nfs/dbraw/zinc/18/70/60/639187060.db2.gz SXQWCIXPGCJIPN-USKTWTLRSA-N 0 1 244.766 2.072 20 0 BEADMN Cc1cccc(N[C@@H]2CCC[C@@]2(C)C(=O)[O-])[nH+]1 ZINC000910439995 639450476 /nfs/dbraw/zinc/45/04/76/639450476.db2.gz DURNWZBFGWOMHY-ZWNOBZJWSA-N 0 1 234.299 2.445 20 0 BEADMN CC[C@H](NC(=O)c1[nH]ncc1F)[C@H]1CC1(C)C ZINC000910925308 639540306 /nfs/dbraw/zinc/54/03/06/639540306.db2.gz IMKAIBVNSNGOHW-APPZFPTMSA-N 0 1 239.294 2.103 20 0 BEADMN CCCCN(CCCO)[C@H](C)c1ncccn1 ZINC000930237131 639645363 /nfs/dbraw/zinc/64/53/63/639645363.db2.gz RLTYGZFCSWRQMK-GFCCVEGCSA-N 0 1 237.347 2.022 20 0 BEADMN c1cc(CCN2CCC[C@H]2c2cc[nH]n2)sn1 ZINC000930263685 639668909 /nfs/dbraw/zinc/66/89/09/639668909.db2.gz MXNNSGVUISZTMZ-LBPRGKRZSA-N 0 1 248.355 2.246 20 0 BEADMN CCc1ncc(CN2CCC[C@](C)(OC)C2)o1 ZINC000930271259 639674928 /nfs/dbraw/zinc/67/49/28/639674928.db2.gz VMMAZOHNNXIDHR-ZDUSSCGKSA-N 0 1 238.331 2.238 20 0 BEADMN COC/C(C)=C\CN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000930271454 639676014 /nfs/dbraw/zinc/67/60/14/639676014.db2.gz XXYQDIIAOXYEKL-IHRPFYQKSA-N 0 1 239.359 2.078 20 0 BEADMN CC1CC(CN2Cc3cccnc3C2)C1 ZINC000930307943 639694133 /nfs/dbraw/zinc/69/41/33/639694133.db2.gz SLFAGIXHDPKXNB-UHFFFAOYSA-N 0 1 202.301 2.443 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)Nc1ccccc1O ZINC000930373108 639736960 /nfs/dbraw/zinc/73/69/60/639736960.db2.gz HJCGTYRRXZOFQX-LBPRGKRZSA-N 0 1 248.326 2.204 20 0 BEADMN COC[C@@H](CN1Cc2ccncc2C1)C(C)C ZINC000930462056 639765035 /nfs/dbraw/zinc/76/50/35/639765035.db2.gz DXUDHWINTSQQAT-CQSZACIVSA-N 0 1 234.343 2.316 20 0 BEADMN Cc1[nH+]c(N[C@@H](C)C2CC2)ccc1C(=O)[O-] ZINC000133891407 711475088 /nfs/dbraw/zinc/47/50/88/711475088.db2.gz ITHSAHRAVZZTFW-ZETCQYMHSA-N 0 1 220.272 2.299 20 0 BEADMN CCc1ncc(CN(CC)C[C@H](C)OC)o1 ZINC000930541134 639807519 /nfs/dbraw/zinc/80/75/19/639807519.db2.gz UVDQDDQPQQVAFY-JTQLQIEISA-N 0 1 226.320 2.094 20 0 BEADMN CCc1ncc(CN(CC)C[C@@H](C)OC)o1 ZINC000930541135 639808192 /nfs/dbraw/zinc/80/81/92/639808192.db2.gz UVDQDDQPQQVAFY-SNVBAGLBSA-N 0 1 226.320 2.094 20 0 BEADMN CCc1onc(C)c1CN1C[C@H](C)[C@@H]1C ZINC000930581947 639813836 /nfs/dbraw/zinc/81/38/36/639813836.db2.gz KFOOFJWHRMKSHW-WPRPVWTQSA-N 0 1 208.305 2.386 20 0 BEADMN CCc1onc(C)c1CN1C[C@H](C)[C@H]1C ZINC000930581946 639814086 /nfs/dbraw/zinc/81/40/86/639814086.db2.gz KFOOFJWHRMKSHW-WCBMZHEXSA-N 0 1 208.305 2.386 20 0 BEADMN CC1CCC(C)(C(=O)N2CCN[C@H](C)C2)CC1 ZINC000911801660 639824581 /nfs/dbraw/zinc/82/45/81/639824581.db2.gz FOALDRAWFWURAO-MBHSVXNSSA-N 0 1 238.375 2.023 20 0 BEADMN CCCc1ccccc1C(=O)N1CCN[C@H](C)C1 ZINC000911810069 639831436 /nfs/dbraw/zinc/83/14/36/639831436.db2.gz LKGQXKHMTIJQHL-GFCCVEGCSA-N 0 1 246.354 2.073 20 0 BEADMN C[C@H](c1ncccn1)N1CC[C@H](O)CC(C)(C)C1 ZINC000930650116 639843496 /nfs/dbraw/zinc/84/34/96/639843496.db2.gz HHDJIFNCJHALGH-NEPJUHHUSA-N 0 1 249.358 2.021 20 0 BEADMN CC[C@H](CO)N1CCc2cccc(Cl)c2C1 ZINC000930698970 639866178 /nfs/dbraw/zinc/86/61/78/639866178.db2.gz CNEYGEASRMESEA-LLVKDONJSA-N 0 1 239.746 2.469 20 0 BEADMN Cc1cc(C)nc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000930705907 639873516 /nfs/dbraw/zinc/87/35/16/639873516.db2.gz MSYBHFSVLBQJKN-STQMWFEESA-N 0 1 234.368 2.388 20 0 BEADMN COC/C(C)=C/CN1CCO[C@H](C2CCC2)C1 ZINC000930712488 639875738 /nfs/dbraw/zinc/87/57/38/639875738.db2.gz NUHOIWOEHWZWHE-CYIWUNGXSA-N 0 1 239.359 2.080 20 0 BEADMN CCCCN(C)C(=O)c1ccc2n1CCN[C@@H]2C ZINC000911919720 639879020 /nfs/dbraw/zinc/87/90/20/639879020.db2.gz QLJLALIDFUQMMB-LLVKDONJSA-N 0 1 249.358 2.024 20 0 BEADMN CCCCN(C)C(=O)c1ccc2n1CCN[C@H]2C ZINC000911919721 639879406 /nfs/dbraw/zinc/87/94/06/639879406.db2.gz QLJLALIDFUQMMB-NSHDSACASA-N 0 1 249.358 2.024 20 0 BEADMN CC[C@@H](C(=O)N(C)c1ccsc1)N(C)C ZINC000912007794 639915914 /nfs/dbraw/zinc/91/59/14/639915914.db2.gz PBFXDUWFSYHIIW-JTQLQIEISA-N 0 1 226.345 2.051 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)c1ccsc1 ZINC000912009574 639918843 /nfs/dbraw/zinc/91/88/43/639918843.db2.gz JKEAYNFTJVTGGT-UHFFFAOYSA-N 0 1 235.312 2.067 20 0 BEADMN COC/C(C)=C/CN1C[C@@H](C)OCC12CCC2 ZINC000930856748 639949592 /nfs/dbraw/zinc/94/95/92/639949592.db2.gz QVYJVPIKNDJODX-YQJFHSMKSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1cn(C)nc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000930893802 639977465 /nfs/dbraw/zinc/97/74/65/639977465.db2.gz JHAQFXXBXXWFRZ-AAEUAGOBSA-N 0 1 219.332 2.103 20 0 BEADMN CCC(C)(C)[C@H](C)NCc1nncs1 ZINC000930931315 639992365 /nfs/dbraw/zinc/99/23/65/639992365.db2.gz URPKVLYAOOXVBM-QMMMGPOBSA-N 0 1 213.350 2.452 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nnc(OC)s1 ZINC000930930003 639993458 /nfs/dbraw/zinc/99/34/58/639993458.db2.gz ABZITQXULBIDAX-MRVPVSSYSA-N 0 1 243.376 2.461 20 0 BEADMN CCCN(CC)C(=O)c1ccc2n1CCN[C@@H]2C ZINC000912261313 640006966 /nfs/dbraw/zinc/00/69/66/640006966.db2.gz DJXOFZJOSAWHKT-LLVKDONJSA-N 0 1 249.358 2.024 20 0 BEADMN C[C@@H]1CN(CCCc2cccnc2)C[C@@H](C)C1=O ZINC000930972601 640007737 /nfs/dbraw/zinc/00/77/37/640007737.db2.gz MLXYSKRAQKAASG-CHWSQXEVSA-N 0 1 246.354 2.171 20 0 BEADMN C/C(=C(\F)C(=O)N(C)Cc1cnc[nH]1)C1CC1 ZINC000912279027 640013053 /nfs/dbraw/zinc/01/30/53/640013053.db2.gz UYGJMFQYUXJSCT-DHZHZOJOSA-N 0 1 237.278 2.022 20 0 BEADMN CCC(C)(C)[C@H](C)NC(=O)c1[nH]ncc1F ZINC000912309069 640024655 /nfs/dbraw/zinc/02/46/55/640024655.db2.gz WVULQKVEGXNCHW-ZETCQYMHSA-N 0 1 227.283 2.103 20 0 BEADMN C[C@@H](C1CC1)N1CCO[C@](C)(C(F)F)C1 ZINC000931079609 640062630 /nfs/dbraw/zinc/06/26/30/640062630.db2.gz MDLJTCDXKRKISS-KWQFWETISA-N 0 1 219.275 2.141 20 0 BEADMN Fc1cccc(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC000931133691 640072666 /nfs/dbraw/zinc/07/26/66/640072666.db2.gz UQRUMMNKWNLCSZ-LBPRGKRZSA-N 0 1 246.289 2.281 20 0 BEADMN Cc1ccccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931133060 640073044 /nfs/dbraw/zinc/07/30/44/640073044.db2.gz KCXNRWLDCSNKCK-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN CC[C@](O)(CN(C1CC1)C1CC1)C(F)(F)F ZINC000931178469 640090940 /nfs/dbraw/zinc/09/09/40/640090940.db2.gz FMSHIYBFMLFHHD-JTQLQIEISA-N 0 1 237.265 2.317 20 0 BEADMN COC[C@@H]1CCCN1Cc1cnc(C2CC2)o1 ZINC000931258882 640118599 /nfs/dbraw/zinc/11/85/99/640118599.db2.gz ZNAOFIZDRPPVNX-NSHDSACASA-N 0 1 236.315 2.163 20 0 BEADMN c1[nH]nc2c1[C@H]1CC[C@@H](C2)N1CCOC1CCC1 ZINC000931295957 640138515 /nfs/dbraw/zinc/13/85/15/640138515.db2.gz WVXITMBFNPLRFG-IINYFYTJSA-N 0 1 247.342 2.040 20 0 BEADMN CCCCCCN1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931318606 640144227 /nfs/dbraw/zinc/14/42/27/640144227.db2.gz NYQNHYNNJTUHEM-UHFFFAOYSA-N 0 1 235.331 2.387 20 0 BEADMN C[C@H](CNC(=O)Cc1cnc[nH]1)C1CCCCC1 ZINC000912710638 640179477 /nfs/dbraw/zinc/17/94/77/640179477.db2.gz RKBQOOMLZSJOOT-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN c1coc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000931449727 640210541 /nfs/dbraw/zinc/21/05/41/640210541.db2.gz YNNPTWXWJHOQPU-UHFFFAOYSA-N 0 1 243.310 2.449 20 0 BEADMN C[C@H]1CN(C/C=C\Cl)Cc2c[nH]nc21 ZINC000931456521 640213536 /nfs/dbraw/zinc/21/35/36/640213536.db2.gz WAKYPVBVCBAXQF-KZUAUGPASA-N 0 1 211.696 2.081 20 0 BEADMN Cc1cnccc1CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468508 640225605 /nfs/dbraw/zinc/22/56/05/640225605.db2.gz ZQRWOAYKLYCYKQ-NSHDSACASA-N 0 1 242.326 2.232 20 0 BEADMN Cc1cnccc1CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468506 640226395 /nfs/dbraw/zinc/22/63/95/640226395.db2.gz ZQRWOAYKLYCYKQ-LLVKDONJSA-N 0 1 242.326 2.232 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)OC)N1CCC(C)(F)CC1 ZINC000931503763 640236329 /nfs/dbraw/zinc/23/63/29/640236329.db2.gz JWSVJJKSVZRNEV-MNOVXSKESA-N 0 1 245.338 2.398 20 0 BEADMN CC(C(=O)N1CC[C@@H](N2CCC2)C1)=C1CCCC1 ZINC000912916503 640240852 /nfs/dbraw/zinc/24/08/52/640240852.db2.gz YDUKGLUOLSRFKJ-CQSZACIVSA-N 0 1 248.370 2.184 20 0 BEADMN O=C(c1cc(C(F)F)[nH]n1)N(C1CC1)C1CC1 ZINC000913012771 640281706 /nfs/dbraw/zinc/28/17/06/640281706.db2.gz IOKJOAPAJHVIGU-UHFFFAOYSA-N 0 1 241.241 2.114 20 0 BEADMN CC(C)(C)[C@H]1CSCCN1CCF ZINC000931596835 640283873 /nfs/dbraw/zinc/28/38/73/640283873.db2.gz MJLYPTFLYJQAFZ-SECBINFHSA-N 0 1 205.342 2.419 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@H](C(C)(C)O)C1 ZINC000931613287 640288237 /nfs/dbraw/zinc/28/82/37/640288237.db2.gz XIIODEPJHKEDJC-RYUDHWBXSA-N 0 1 249.358 2.021 20 0 BEADMN CCc1ncc(CN2CCC[C@@H](CF)C2)o1 ZINC000931682660 640313469 /nfs/dbraw/zinc/31/34/69/640313469.db2.gz OELZAKHADBZVKZ-JTQLQIEISA-N 0 1 226.295 2.419 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CC[C@@H](CF)C1 ZINC000931687178 640316672 /nfs/dbraw/zinc/31/66/72/640316672.db2.gz SYOZTWKTCUXZSL-BDAKNGLRSA-N 0 1 229.324 2.199 20 0 BEADMN Cc1cc(C(=O)N2CC=CC23CCCC3)n[nH]1 ZINC000913199408 640327568 /nfs/dbraw/zinc/32/75/68/640327568.db2.gz RKBSBQAVMVFEIA-UHFFFAOYSA-N 0 1 231.299 2.043 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1C[C@@H]2C[C@@H]2C1 ZINC000931709218 640330449 /nfs/dbraw/zinc/33/04/49/640330449.db2.gz GNGKCRFJRVOCNU-INTQDDNPSA-N 0 1 206.264 2.233 20 0 BEADMN CC[C@@H](CO)N[C@H](C)c1nc2ccccc2o1 ZINC000931774026 640366599 /nfs/dbraw/zinc/36/65/99/640366599.db2.gz HVHJFVADTRVWGS-ZJUUUORDSA-N 0 1 234.299 2.249 20 0 BEADMN CC[C@H](CO)N[C@H](C)c1nc2ccccc2o1 ZINC000931774023 640366982 /nfs/dbraw/zinc/36/69/82/640366982.db2.gz HVHJFVADTRVWGS-NXEZZACHSA-N 0 1 234.299 2.249 20 0 BEADMN CC(C)=CCN1CC[C@@H](c2noc(C)n2)C1 ZINC000931941484 640400774 /nfs/dbraw/zinc/40/07/74/640400774.db2.gz QAYURFIKKMODCA-LLVKDONJSA-N 0 1 221.304 2.134 20 0 BEADMN CN(C)c1ccc(NCc2cnc[nH]2)cc1 ZINC000054764142 640405944 /nfs/dbraw/zinc/40/59/44/640405944.db2.gz UGSFWMLWCBLOCJ-UHFFFAOYSA-N 0 1 216.288 2.088 20 0 BEADMN Cc1ccc(CNCc2c[nH]cn2)s1 ZINC000054765303 640408135 /nfs/dbraw/zinc/40/81/35/640408135.db2.gz KNHKXCXNAPMVHJ-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN CCOc1cccc(NCc2cnc[nH]2)c1 ZINC000054765076 640409516 /nfs/dbraw/zinc/40/95/16/640409516.db2.gz ZOJYRPSEUFMLOT-UHFFFAOYSA-N 0 1 217.272 2.421 20 0 BEADMN FCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000932080912 640421991 /nfs/dbraw/zinc/42/19/91/640421991.db2.gz SZPOZCIVTKLANG-ZETCQYMHSA-N 0 1 231.258 2.326 20 0 BEADMN COC/C(C)=C\CN1CCC[C@H]1c1ccnn1C ZINC000932259886 640460356 /nfs/dbraw/zinc/46/03/56/640460356.db2.gz BFWYNMBAKFTPJJ-VDBIKXPHSA-N 0 1 249.358 2.150 20 0 BEADMN CCC(=O)CCCN1CCC[C@@H]1c1ccnn1C ZINC000932264709 640465290 /nfs/dbraw/zinc/46/52/90/640465290.db2.gz KAMFVJPZWJMFGW-CQSZACIVSA-N 0 1 249.358 2.316 20 0 BEADMN Cc1c(Cl)cnn1CN(C)CC1CC1 ZINC000156536174 640465566 /nfs/dbraw/zinc/46/55/66/640465566.db2.gz ITAGUECBOYPXBJ-UHFFFAOYSA-N 0 1 213.712 2.144 20 0 BEADMN COC(=O)CN1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932276626 640469244 /nfs/dbraw/zinc/46/92/44/640469244.db2.gz UXSUENGFBCBNNX-TZMCWYRMSA-N 0 1 247.338 2.428 20 0 BEADMN CC[C@H](C)Cc1nc([C@H](N)C(C)C)no1 ZINC000164654662 640494621 /nfs/dbraw/zinc/49/46/21/640494621.db2.gz QGURCHIMPQQULA-WCBMZHEXSA-N 0 1 211.309 2.314 20 0 BEADMN CC[C@@H](C)Cc1nc([C@H](N)C(C)C)no1 ZINC000164654548 640496104 /nfs/dbraw/zinc/49/61/04/640496104.db2.gz QGURCHIMPQQULA-PSASIEDQSA-N 0 1 211.309 2.314 20 0 BEADMN CO[C@@H]1CC[C@@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000932355434 640496312 /nfs/dbraw/zinc/49/63/12/640496312.db2.gz FGQKGSSDLHBSHN-UPJWGTAASA-N 0 1 247.342 2.085 20 0 BEADMN c1cnc([C@@H](NC[C@@H]2CCCCO2)C2CC2)nc1 ZINC000932360048 640499572 /nfs/dbraw/zinc/49/95/72/640499572.db2.gz JEKVBFXZBNJCHQ-STQMWFEESA-N 0 1 247.342 2.086 20 0 BEADMN CC1(C)C[C@@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000134188839 711490933 /nfs/dbraw/zinc/49/09/33/711490933.db2.gz FSOXSUIUQRPRMU-YFKPBYRVSA-N 0 1 237.694 2.217 20 0 BEADMN CCN(CCC(N)=O)Cc1sccc1Cl ZINC000932478681 640546731 /nfs/dbraw/zinc/54/67/31/640546731.db2.gz JOSOPXRFRALDII-UHFFFAOYSA-N 0 1 246.763 2.099 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000932500012 640561233 /nfs/dbraw/zinc/56/12/33/640561233.db2.gz WNSLADDXYWUBAU-MWLCHTKSSA-N 0 1 248.282 2.059 20 0 BEADMN C[C@@H]1C[C@H](CN2CCn3cccc3C2)CCO1 ZINC000932524477 640564258 /nfs/dbraw/zinc/56/42/58/640564258.db2.gz LAZOBWCNTSBDSJ-CHWSQXEVSA-N 0 1 234.343 2.119 20 0 BEADMN COC1(CCN2CCn3cccc3C2)CCC1 ZINC000932524469 640564508 /nfs/dbraw/zinc/56/45/08/640564508.db2.gz KWLSJBRTBOFKLW-UHFFFAOYSA-N 0 1 234.343 2.263 20 0 BEADMN CO[C@@H](CN1CCn2cccc2C1)C1CCC1 ZINC000932527035 640565542 /nfs/dbraw/zinc/56/55/42/640565542.db2.gz UUNOCQOHLMKKSP-AWEZNQCLSA-N 0 1 234.343 2.119 20 0 BEADMN Cc1cccc(CCN2CCn3cccc3C2)n1 ZINC000932527103 640566049 /nfs/dbraw/zinc/56/60/49/640566049.db2.gz WXHQARQTBCAKMW-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN COc1ccc([C@H](C)NCC(C)=O)cc1C ZINC000932568906 640575299 /nfs/dbraw/zinc/57/52/99/640575299.db2.gz LDXHDOGVRWOYPZ-NSHDSACASA-N 0 1 221.300 2.243 20 0 BEADMN Cc1cc(F)ccc1[C@H](C)NCc1c[nH]nn1 ZINC000932562792 640575332 /nfs/dbraw/zinc/57/53/32/640575332.db2.gz RCBKTWMCTOAUSM-VIFPVBQESA-N 0 1 234.278 2.103 20 0 BEADMN CC[C@H](C)N1CCn2nc(C3CC3)cc2C1 ZINC000932602588 640579977 /nfs/dbraw/zinc/57/99/77/640579977.db2.gz DDUAJSGDIPRRNQ-JTQLQIEISA-N 0 1 219.332 2.375 20 0 BEADMN C[C@@H](C1CC1)N1CCn2nc(C3CC3)cc2C1 ZINC000932603186 640581846 /nfs/dbraw/zinc/58/18/46/640581846.db2.gz RROXEJMSHDFAMP-JTQLQIEISA-N 0 1 231.343 2.375 20 0 BEADMN CCOCCCN1CCn2nc(C3CC3)cc2C1 ZINC000932605613 640582896 /nfs/dbraw/zinc/58/28/96/640582896.db2.gz HYIGELITSJLTCA-UHFFFAOYSA-N 0 1 249.358 2.003 20 0 BEADMN FC1(C2CC2)CCN(Cc2cn[nH]c2)CC1 ZINC000932626306 640588074 /nfs/dbraw/zinc/58/80/74/640588074.db2.gz HUDAFMNDGKRQMZ-UHFFFAOYSA-N 0 1 223.295 2.124 20 0 BEADMN Cc1cc(CN2CCC(F)(C3CC3)CC2)ncn1 ZINC000932624325 640588470 /nfs/dbraw/zinc/58/84/70/640588470.db2.gz KFEHXDQUJBKKJO-UHFFFAOYSA-N 0 1 249.333 2.499 20 0 BEADMN COC(=O)c1cccc2c1OCCN(C(C)C)C2 ZINC000932659668 640602026 /nfs/dbraw/zinc/60/20/26/640602026.db2.gz QGCHAYPJGMYKAS-UHFFFAOYSA-N 0 1 249.310 2.076 20 0 BEADMN Cc1cc(CNC(=O)C2(C)C(C)(C)C2(C)C)n[nH]1 ZINC000932787905 640610673 /nfs/dbraw/zinc/61/06/73/640610673.db2.gz WDWDOGVYKQEOOM-UHFFFAOYSA-N 0 1 249.358 2.407 20 0 BEADMN OC1(C2CCC2)CCN(C/C=C\Cl)CC1 ZINC000932820844 640613986 /nfs/dbraw/zinc/61/39/86/640613986.db2.gz UUJLLYWVPREZCT-UQCOIBPSSA-N 0 1 229.751 2.366 20 0 BEADMN c1cc(CN2CCC[C@H](C3CCOCC3)C2)n[nH]1 ZINC000933085395 640667957 /nfs/dbraw/zinc/66/79/57/640667957.db2.gz ONCNZPCJTWNTPB-ZDUSSCGKSA-N 0 1 249.358 2.048 20 0 BEADMN CC(C)CCN1CC(NC(=O)CC2CCC2)C1 ZINC001030189785 640669766 /nfs/dbraw/zinc/66/97/66/640669766.db2.gz NSGRUUQPXNKNQN-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCC(C)C ZINC000933158763 640670862 /nfs/dbraw/zinc/67/08/62/640670862.db2.gz ZDHPJUFDDGRCHB-YPMHNXCESA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CCC(C)C ZINC000933158763 640670866 /nfs/dbraw/zinc/67/08/66/640670866.db2.gz ZDHPJUFDDGRCHB-YPMHNXCESA-N 0 1 225.332 2.060 20 0 BEADMN CCCCCN1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933161096 640673239 /nfs/dbraw/zinc/67/32/39/640673239.db2.gz VPIXCERRCAULSF-YPMHNXCESA-N 0 1 225.332 2.204 20 0 BEADMN O=C(N[C@H]1CC=CCC1)c1cccc(F)c1O ZINC000933177819 640675162 /nfs/dbraw/zinc/67/51/62/640675162.db2.gz BJJGDQIYGKDCMI-VIFPVBQESA-N 0 1 235.258 2.370 20 0 BEADMN CCC(=O)CCCN1CCOC[C@H]1CC1CC1 ZINC000933208177 640680208 /nfs/dbraw/zinc/68/02/08/640680208.db2.gz FLDICXIZMOZHMM-CYBMUJFWSA-N 0 1 239.359 2.247 20 0 BEADMN CCCCOCCN1CCOC[C@@H]1CC1CC1 ZINC000933212847 640681769 /nfs/dbraw/zinc/68/17/69/640681769.db2.gz JJDLPCAOOUDVMH-AWEZNQCLSA-N 0 1 241.375 2.304 20 0 BEADMN CC[C@H]1C(=O)NCCCN1CCCC(C)(F)F ZINC000933234905 640687995 /nfs/dbraw/zinc/68/79/95/640687995.db2.gz PLKGLSUBGJSPDC-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN CC[C@H](C)N1CCc2c(ncn2CC)C1 ZINC000933253620 640689436 /nfs/dbraw/zinc/68/94/36/640689436.db2.gz HXOSMAYZRFNKSB-JTQLQIEISA-N 0 1 207.321 2.060 20 0 BEADMN CN(CC1=CCCC1)Cc1cccc(=O)[nH]1 ZINC000933402252 640715707 /nfs/dbraw/zinc/71/57/07/640715707.db2.gz WQPSKANXPFGEOI-UHFFFAOYSA-N 0 1 218.300 2.329 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)nn2)C[C@@H]1C ZINC000167410526 640718316 /nfs/dbraw/zinc/71/83/16/640718316.db2.gz BQQXDSBOAXWTJQ-IUCAKERBSA-N 0 1 225.723 2.218 20 0 BEADMN Cc1noc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n1 ZINC000933704821 640748228 /nfs/dbraw/zinc/74/82/28/640748228.db2.gz ACEQKBYTRBCDQD-CZXHOFHRSA-N 0 1 247.342 2.246 20 0 BEADMN CC(C)(C)CCN1CC(NC(=O)C2(C)CC2)C1 ZINC001030352176 640783345 /nfs/dbraw/zinc/78/33/45/640783345.db2.gz GBBZWELXALHXKM-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1nc(CN(Cc2ccoc2)C2CC2)n[nH]1 ZINC000934001530 640801728 /nfs/dbraw/zinc/80/17/28/640801728.db2.gz FCDQNQMJAAWTAN-UHFFFAOYSA-N 0 1 246.314 2.125 20 0 BEADMN c1cc(CN(CCc2cnccn2)C2CC2)co1 ZINC000934002820 640804553 /nfs/dbraw/zinc/80/45/53/640804553.db2.gz BSALXAHTNBJBIX-UHFFFAOYSA-N 0 1 243.310 2.277 20 0 BEADMN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)CC ZINC000227280956 640823739 /nfs/dbraw/zinc/82/37/39/640823739.db2.gz SYNAEONRWYFKSP-HBNTYKKESA-N 0 1 242.319 2.079 20 0 BEADMN Cc1cscc1CNCc1c[nH]cn1 ZINC000087309225 640870633 /nfs/dbraw/zinc/87/06/33/640870633.db2.gz HTTUNYWPIRXBMH-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN CCC[C@@H](CNc1cc(C)[nH+]c(C)n1)C(=O)[O-] ZINC000087512401 640906885 /nfs/dbraw/zinc/90/68/85/640906885.db2.gz BSDLSFLSIQZSIX-JTQLQIEISA-N 0 1 237.303 2.006 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C(=O)[O-])C1 ZINC000229297078 640942802 /nfs/dbraw/zinc/94/28/02/640942802.db2.gz BOUCQWDMBGAVPZ-GXSJLCMTSA-N 0 1 239.340 2.433 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C(=O)[O-])C1 ZINC000229297064 640943307 /nfs/dbraw/zinc/94/33/07/640943307.db2.gz BOUCQWDMBGAVPZ-MWLCHTKSSA-N 0 1 239.340 2.433 20 0 BEADMN C(NCC1CC1)c1nc([C@@H]2CCCS2)no1 ZINC000087699653 640977669 /nfs/dbraw/zinc/97/76/69/640977669.db2.gz BYBNZQRPRROBET-VIFPVBQESA-N 0 1 239.344 2.137 20 0 BEADMN COC(=O)C1(NC[Si](C)(C)C)CCCCC1 ZINC000171934697 641023694 /nfs/dbraw/zinc/02/36/94/641023694.db2.gz XRTLMDFPXKRZPK-UHFFFAOYSA-N 0 1 243.423 2.329 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1cccc(Cl)c1O ZINC000172357126 641056743 /nfs/dbraw/zinc/05/67/43/641056743.db2.gz MAXWIUZLLYDTKC-ZETCQYMHSA-N 0 1 243.690 2.409 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1ccccc1F ZINC000934128243 641085673 /nfs/dbraw/zinc/08/56/73/641085673.db2.gz XEYVLBXALSEQDK-OLZOCXBDSA-N 0 1 223.291 2.435 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccco2)no1 ZINC000062772054 641088812 /nfs/dbraw/zinc/08/88/12/641088812.db2.gz CHLCVYABRCOASH-SECBINFHSA-N 0 1 220.272 2.297 20 0 BEADMN CCCCC1(N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000934205113 641101620 /nfs/dbraw/zinc/10/16/20/641101620.db2.gz JMIVYKYCESHECZ-JTQLQIEISA-N 0 1 249.362 2.381 20 0 BEADMN CCCC[N@H+]1CCC[C@](CC)(C(=O)[O-])C1 ZINC000062877590 641106574 /nfs/dbraw/zinc/10/65/74/641106574.db2.gz WANOKENQZWOEBB-LBPRGKRZSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H](Cc1cccnc1)N[C@@H](C)c1csnn1 ZINC000934229269 641108177 /nfs/dbraw/zinc/10/81/77/641108177.db2.gz IERKXMMKYUUWEA-UWVGGRQHSA-N 0 1 248.355 2.215 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@@H](C)CC ZINC000172775297 641111385 /nfs/dbraw/zinc/11/13/85/641111385.db2.gz PECLTHHNFWWSNA-UWVGGRQHSA-N 0 1 201.310 2.058 20 0 BEADMN C[C@@H]1CSCCCN1Cc1ccns1 ZINC000934296494 641116948 /nfs/dbraw/zinc/11/69/48/641116948.db2.gz IRBMJNMCIXEJAR-SECBINFHSA-N 0 1 228.386 2.471 20 0 BEADMN Cc1conc1CN1CCCSC[C@@H]1C ZINC000934296602 641118205 /nfs/dbraw/zinc/11/82/05/641118205.db2.gz LMPNJEPDHCDGGH-JTQLQIEISA-N 0 1 226.345 2.310 20 0 BEADMN Cc1cc(CN2CCCSC[C@H]2C)nn1C ZINC000934297958 641119270 /nfs/dbraw/zinc/11/92/70/641119270.db2.gz PRZFKDOXKJFOMW-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN CCn1ccc(CN[C@@H]2CCOC23CCCC3)n1 ZINC000934380593 641135950 /nfs/dbraw/zinc/13/59/50/641135950.db2.gz CNTCJWHFTXXWCG-CYBMUJFWSA-N 0 1 249.358 2.094 20 0 BEADMN CCn1ccc(CN[C@H]2CCOC23CCCC3)n1 ZINC000934380595 641136198 /nfs/dbraw/zinc/13/61/98/641136198.db2.gz CNTCJWHFTXXWCG-ZDUSSCGKSA-N 0 1 249.358 2.094 20 0 BEADMN C[C@@H](NCc1ccsc1)c1cnn(C)c1 ZINC000063152578 641141327 /nfs/dbraw/zinc/14/13/27/641141327.db2.gz NBXHQQLXYDYUBK-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN C[C@H]1CN(Cc2cnc(Cl)cn2)C[C@@H]1C ZINC000231282961 641153763 /nfs/dbraw/zinc/15/37/63/641153763.db2.gz SOKJRFCWXMXUMG-IUCAKERBSA-N 0 1 225.723 2.218 20 0 BEADMN C[C@]1(C2CC2)COCCN1CCOC1CCC1 ZINC000934478156 641169560 /nfs/dbraw/zinc/16/95/60/641169560.db2.gz KHEFHWMIWPRBIH-CQSZACIVSA-N 0 1 239.359 2.056 20 0 BEADMN CCO[C@H]1CCN(Cc2ccccc2F)C1 ZINC000932976913 641172559 /nfs/dbraw/zinc/17/25/59/641172559.db2.gz HRJOWWGZKMQDRU-LBPRGKRZSA-N 0 1 223.291 2.437 20 0 BEADMN CCC[C@]1(C)CCCN(CN2CCCC2=O)C1 ZINC000173535841 641180129 /nfs/dbraw/zinc/18/01/29/641180129.db2.gz UVSLUAYDPOMZHY-CQSZACIVSA-N 0 1 238.375 2.469 20 0 BEADMN C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](O)[C@H](F)C2)C1 ZINC000934571099 641200020 /nfs/dbraw/zinc/20/00/20/641200020.db2.gz ORCVCVBBKJURDO-XQHKEYJVSA-N 0 1 229.339 2.217 20 0 BEADMN C[C@H](CN1CC[C@H](O)[C@@H](F)C1)c1ccccc1 ZINC000934572711 641205643 /nfs/dbraw/zinc/20/56/43/641205643.db2.gz BOUWXZMRCRBSEV-XBFCOCLRSA-N 0 1 237.318 2.195 20 0 BEADMN CCCc1noc(CN[C@@H]2CC=CC[C@H]2C)n1 ZINC000934629999 641222415 /nfs/dbraw/zinc/22/24/15/641222415.db2.gz XQVUBWXTANMBIB-GHMZBOCLSA-N 0 1 235.331 2.466 20 0 BEADMN CSCC(C)(C)NCc1cn(C(C)C)nn1 ZINC000934669269 641240024 /nfs/dbraw/zinc/24/00/24/641240024.db2.gz HYDKODNGOYNTSW-UHFFFAOYSA-N 0 1 242.392 2.090 20 0 BEADMN Cn1cc(CN[C@H](c2ccncc2)C2CC2)cn1 ZINC000934688265 641246881 /nfs/dbraw/zinc/24/68/81/641246881.db2.gz PEGPEQLYMMDVIS-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN Cc1c[nH]nc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934698901 641248746 /nfs/dbraw/zinc/24/87/46/641248746.db2.gz RHFZCYXRMUMRRS-CQSZACIVSA-N 0 1 242.326 2.354 20 0 BEADMN c1nc(CN[C@@H](c2ccncc2)C2CC2)c[nH]1 ZINC000934695641 641249556 /nfs/dbraw/zinc/24/95/56/641249556.db2.gz CJDSPIZTWAJKDO-CYBMUJFWSA-N 0 1 228.299 2.046 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC1(C)CC1 ZINC000935090993 641335718 /nfs/dbraw/zinc/33/57/18/641335718.db2.gz UTWUXQNOSSBPGA-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@](C)(O)C(=O)Nc1cccc(Cl)c1O ZINC000935108218 641340974 /nfs/dbraw/zinc/34/09/74/641340974.db2.gz OFIXNPXJXWQWAR-NSHDSACASA-N 0 1 243.690 2.145 20 0 BEADMN CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000088369721 641345355 /nfs/dbraw/zinc/34/53/55/641345355.db2.gz ROQMSKQLLPMCKD-LLVKDONJSA-N 0 1 242.363 2.338 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000723085988 711501423 /nfs/dbraw/zinc/50/14/23/711501423.db2.gz PNTQMIFEXVQOQC-HNCHTBHHSA-N 0 1 225.332 2.075 20 0 BEADMN CC[C@H](C)CN1CC(NC(=O)C2(C)CCC2)C1 ZINC001030796877 641356686 /nfs/dbraw/zinc/35/66/86/641356686.db2.gz JCEICCRDBVXROZ-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](c1nc(N(C)C)no1)N1[C@H](C)CC[C@@H]1C ZINC000350602913 641373483 /nfs/dbraw/zinc/37/34/83/641373483.db2.gz UTMZDGSNNCNGRM-AEJSXWLSSA-N 0 1 238.335 2.069 20 0 BEADMN CCOC(=O)/C=C/CN1CC[C@@H](c2ccco2)C1 ZINC000929619704 641377221 /nfs/dbraw/zinc/37/72/21/641377221.db2.gz OFXUULCDWHVIBU-MJRJWQSSSA-N 0 1 249.310 2.188 20 0 BEADMN CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC=CC1 ZINC000935379646 641399067 /nfs/dbraw/zinc/39/90/67/641399067.db2.gz DZSDWBWYCJVFRH-UHFFFAOYSA-N 0 1 246.314 2.367 20 0 BEADMN CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC=CC1 ZINC000935379646 641399071 /nfs/dbraw/zinc/39/90/71/641399071.db2.gz DZSDWBWYCJVFRH-UHFFFAOYSA-N 0 1 246.314 2.367 20 0 BEADMN Cc1cccc(C)c1NC(=O)NC[C@@H]1CCN1C ZINC000925394584 641425237 /nfs/dbraw/zinc/42/52/37/641425237.db2.gz QMMGBJHVYLUOEZ-LBPRGKRZSA-N 0 1 247.342 2.129 20 0 BEADMN CC[C@H](CC(=O)NC12CCN(CC1)C2)C(C)C ZINC000913628178 641432197 /nfs/dbraw/zinc/43/21/97/641432197.db2.gz AALUDANZQFPKSD-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CCCC[C@@H](CC)C(=O)NC12CCN(CC1)C2 ZINC000913627597 641432276 /nfs/dbraw/zinc/43/22/76/641432276.db2.gz QPKRGYIYWCSKIJ-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN CCC(CC)(CC)C(=O)NC12CCN(CC1)C2 ZINC000913630932 641434105 /nfs/dbraw/zinc/43/41/05/641434105.db2.gz GTOYFCDBEBMXIF-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC(C)(C)CC(C)(C)C(=O)Nc1c[nH]nn1 ZINC000935594628 641437320 /nfs/dbraw/zinc/43/73/20/641437320.db2.gz LRCVHQMPTIOCNX-UHFFFAOYSA-N 0 1 224.308 2.206 20 0 BEADMN Cc1nnc(CCN2Cc3ccccc3[C@@H]2C)o1 ZINC000929766933 641513216 /nfs/dbraw/zinc/51/32/16/641513216.db2.gz PGRGDTHZTGGACT-JTQLQIEISA-N 0 1 243.310 2.497 20 0 BEADMN CC(C)[C@@H](N)c1noc(COc2ccccc2)n1 ZINC000041123843 641543123 /nfs/dbraw/zinc/54/31/23/641543123.db2.gz IBLLFFMBOSHMJY-GFCCVEGCSA-N 0 1 247.298 2.304 20 0 BEADMN CC(C)[C@@H](N)c1noc(Cc2ccccc2F)n1 ZINC000041123820 641543286 /nfs/dbraw/zinc/54/32/86/641543286.db2.gz VGICMUUZXRBUSS-GFCCVEGCSA-N 0 1 249.289 2.455 20 0 BEADMN C[C@@H]1C[C@@H](Nc2cccc(C(=O)[O-])c2)CC[N@H+]1C ZINC000155839205 641585473 /nfs/dbraw/zinc/58/54/73/641585473.db2.gz WEVHDFCDZDVGFG-MFKMUULPSA-N 0 1 248.326 2.279 20 0 BEADMN CCc1cccnc1-c1noc([C@@H](CC)NC)n1 ZINC000157264971 641615803 /nfs/dbraw/zinc/61/58/03/641615803.db2.gz DIRSVRGSVONBHA-SNVBAGLBSA-N 0 1 246.314 2.365 20 0 BEADMN CN(C)C1(C(=O)Nc2ccsc2)CCC1 ZINC000158880644 641656402 /nfs/dbraw/zinc/65/64/02/641656402.db2.gz BQNZGDRUUWOCTM-UHFFFAOYSA-N 0 1 224.329 2.171 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C/Cl)C1 ZINC000232783437 641673543 /nfs/dbraw/zinc/67/35/43/641673543.db2.gz BBIOYWFMAVZQDQ-JOAKQRRISA-N 0 1 231.723 2.172 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)[C@@H](C)C1CC1 ZINC000159651787 641691354 /nfs/dbraw/zinc/69/13/54/641691354.db2.gz BLTFXSNBEGWFRA-VHSXEESVSA-N 0 1 213.321 2.058 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)[C@@H](C)C1CC1 ZINC000159651919 641691577 /nfs/dbraw/zinc/69/15/77/641691577.db2.gz BLTFXSNBEGWFRA-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CCC ZINC000159779047 641700204 /nfs/dbraw/zinc/70/02/04/641700204.db2.gz LLFCKNBYOIJDMX-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000229552731 641758107 /nfs/dbraw/zinc/75/81/07/641758107.db2.gz LWVATNQMUYPFOO-GFCCVEGCSA-N 0 1 223.272 2.027 20 0 BEADMN COc1cccc(-c2cc([C@H](C)N)on2)c1OC ZINC000075789041 641769758 /nfs/dbraw/zinc/76/97/58/641769758.db2.gz RWSBVSXKQDKCHK-QMMMGPOBSA-N 0 1 248.282 2.379 20 0 BEADMN Oc1cccc(CNCc2ccc(F)nc2)c1 ZINC000189022817 641781908 /nfs/dbraw/zinc/78/19/08/641781908.db2.gz BGWVOSXPZGDVHW-UHFFFAOYSA-N 0 1 232.258 2.216 20 0 BEADMN CCC[C@@]1(C)CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000076146043 641795593 /nfs/dbraw/zinc/79/55/93/641795593.db2.gz JTWVTPPYCXFZRI-YPMHNXCESA-N 0 1 225.332 2.204 20 0 BEADMN CCC[C@@]1(C)CCCN([C@@H]2CCOC2=O)C1 ZINC000076146043 641795598 /nfs/dbraw/zinc/79/55/98/641795598.db2.gz JTWVTPPYCXFZRI-YPMHNXCESA-N 0 1 225.332 2.204 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C[C@@H](C)C1CC1 ZINC000076431804 641809066 /nfs/dbraw/zinc/80/90/66/641809066.db2.gz XKUOTPNOBOFXMB-SNVBAGLBSA-N 0 1 249.358 2.203 20 0 BEADMN CCN(C)C(=O)CN1Cc2ccccc2[C@H](C)C1 ZINC000915215830 641809389 /nfs/dbraw/zinc/80/93/89/641809389.db2.gz MQXXIIATELKYCN-GFCCVEGCSA-N 0 1 246.354 2.084 20 0 BEADMN CC(C)N(CC1CC1)CN1CCSC1=O ZINC000915207593 641809581 /nfs/dbraw/zinc/80/95/81/641809581.db2.gz DMEXVJSVLSLJCL-UHFFFAOYSA-N 0 1 228.361 2.233 20 0 BEADMN CC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043655 641836693 /nfs/dbraw/zinc/83/66/93/641836693.db2.gz NZOJCNLFZFMHTL-UHFFFAOYSA-N 0 1 208.246 2.141 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043972 641837096 /nfs/dbraw/zinc/83/70/96/641837096.db2.gz HCZYGNCMSGAKEO-NKWVEPMBSA-N 0 1 248.311 2.128 20 0 BEADMN c1nc(C2CC2)oc1CN1CCC2(CCO2)CC1 ZINC000628264118 641864542 /nfs/dbraw/zinc/86/45/42/641864542.db2.gz ZUIORLXXHIWMDW-UHFFFAOYSA-N 0 1 248.326 2.307 20 0 BEADMN C[C@@H](NCC1(C)OCCCO1)c1ccoc1 ZINC000190667425 641879882 /nfs/dbraw/zinc/87/98/82/641879882.db2.gz XOKKYNYBHHJGMD-SNVBAGLBSA-N 0 1 225.288 2.083 20 0 BEADMN Cc1[nH][nH]c(=O)c1Sc1cc(C)ccc1C ZINC000915913756 641886337 /nfs/dbraw/zinc/88/63/37/641886337.db2.gz VCXHWVDSSGCXFM-LLVKDONJSA-N 0 1 234.324 2.270 20 0 BEADMN Cc1cnc(CNC[C@H]2CCC=CO2)s1 ZINC000191098765 641899959 /nfs/dbraw/zinc/89/99/59/641899959.db2.gz FWNWJYBKCQSKDC-SNVBAGLBSA-N 0 1 224.329 2.234 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCC=CO2)s1 ZINC000191098751 641900846 /nfs/dbraw/zinc/90/08/46/641900846.db2.gz FWNWJYBKCQSKDC-JTQLQIEISA-N 0 1 224.329 2.234 20 0 BEADMN CCc1nc(SCc2cnc(CC)o2)n[nH]1 ZINC000916515405 641941890 /nfs/dbraw/zinc/94/18/90/641941890.db2.gz MVGLQAYODRHQMP-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN CCc1n[nH]c(SCc2cnc(CC)o2)n1 ZINC000916515405 641941893 /nfs/dbraw/zinc/94/18/93/641941893.db2.gz MVGLQAYODRHQMP-UHFFFAOYSA-N 0 1 238.316 2.210 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@H](C)c1cccs1 ZINC000917082852 642004377 /nfs/dbraw/zinc/00/43/77/642004377.db2.gz WIXNWHNHQLELHY-VXNVDRBHSA-N 0 1 240.353 2.417 20 0 BEADMN CC[N@@H+](CN1CCSC1=O)C1CCCC1 ZINC000917465767 642067488 /nfs/dbraw/zinc/06/74/88/642067488.db2.gz QIBXCMBUKPAUQY-UHFFFAOYSA-N 0 1 228.361 2.377 20 0 BEADMN CCN(CN1CCSC1=O)C1CCCC1 ZINC000917465767 642067492 /nfs/dbraw/zinc/06/74/92/642067492.db2.gz QIBXCMBUKPAUQY-UHFFFAOYSA-N 0 1 228.361 2.377 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCCSC(C)(C)C ZINC000917583182 642086416 /nfs/dbraw/zinc/08/64/16/642086416.db2.gz LFXMHYAJCAGDHE-QMMMGPOBSA-N 0 1 246.401 2.126 20 0 BEADMN Cc1cn[nH]c1CSc1nc2c([nH]1)CCC2 ZINC000917759847 642117179 /nfs/dbraw/zinc/11/71/79/642117179.db2.gz JZDFGQWHNGEEIB-UHFFFAOYSA-N 0 1 234.328 2.222 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@H]1CCCC2(CCC2)O1 ZINC000930014973 642179485 /nfs/dbraw/zinc/17/94/85/642179485.db2.gz VXLGUAIJUNRIRG-ZDUSSCGKSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1[nH][nH]c(=O)c1S[C@@H](C)c1ccccc1 ZINC000918448087 642197330 /nfs/dbraw/zinc/19/73/30/642197330.db2.gz LQDPIKLKBCFQCY-ONGXEEELSA-N 0 1 234.324 2.355 20 0 BEADMN C[C@@H](O)CC(C)(C)CN[C@H](C)c1ncco1 ZINC000925464053 642329857 /nfs/dbraw/zinc/32/98/57/642329857.db2.gz FEFHFCWCIVDIJB-NXEZZACHSA-N 0 1 226.320 2.122 20 0 BEADMN C[C@@H](O)CC(C)(C)CN[C@@H](C)c1ncco1 ZINC000925464059 642329887 /nfs/dbraw/zinc/32/98/87/642329887.db2.gz FEFHFCWCIVDIJB-ZJUUUORDSA-N 0 1 226.320 2.122 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000925465543 642338455 /nfs/dbraw/zinc/33/84/55/642338455.db2.gz YKFCISQALYHKFP-QMMMGPOBSA-N 0 1 249.289 2.414 20 0 BEADMN COC(=O)[C@]12C[C@H]1CCCN2CC1(C)CCC1 ZINC000933164831 642366606 /nfs/dbraw/zinc/36/66/06/642366606.db2.gz SUQLWOZBXIUEMI-RISCZKNCSA-N 0 1 237.343 2.204 20 0 BEADMN COC(=O)[C@@H]1CCN(C/C=C\Cl)[C@H](C)C1 ZINC000933172598 642372679 /nfs/dbraw/zinc/37/26/79/642372679.db2.gz RTOHTFODWMWOBZ-QBNQYXCASA-N 0 1 231.723 2.012 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@H]1CC1CC1 ZINC000933205176 642388256 /nfs/dbraw/zinc/38/82/56/642388256.db2.gz XSFYJVRRXYMLJH-WTKLMOFPSA-N 0 1 239.359 2.080 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@@H]1CC1CC1 ZINC000933205175 642389154 /nfs/dbraw/zinc/38/91/54/642389154.db2.gz XSFYJVRRXYMLJH-VDFGQWLZSA-N 0 1 239.359 2.080 20 0 BEADMN c1ccc(CCN2CCOC[C@H]2CC2CC2)nc1 ZINC000933216071 642395098 /nfs/dbraw/zinc/39/50/98/642395098.db2.gz VTAVTYQOMYZTAW-OAHLLOKOSA-N 0 1 246.354 2.125 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(CCC)CC1 ZINC000920215349 642454989 /nfs/dbraw/zinc/45/49/89/642454989.db2.gz ROVRQLOLXLUQHN-OUKQBFOZSA-N 0 1 238.375 2.287 20 0 BEADMN Clc1n[nH]c(C2CC2)c1CNC1CC1 ZINC000921471366 642630504 /nfs/dbraw/zinc/63/05/04/642630504.db2.gz CGBGDBOWGRIDTH-UHFFFAOYSA-N 0 1 211.696 2.193 20 0 BEADMN Cn1nc2c(c1CNCc1ccccc1)CCC2 ZINC000921477086 642635652 /nfs/dbraw/zinc/63/56/52/642635652.db2.gz XEGULZCTLYNROB-UHFFFAOYSA-N 0 1 241.338 2.199 20 0 BEADMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000305451033 642660327 /nfs/dbraw/zinc/66/03/27/642660327.db2.gz RMUJDCJYQVLGDR-SSDOTTSWSA-N 0 1 249.141 2.201 20 0 BEADMN C[C@H](CO)N(C)Cc1cc(Cl)nc(Cl)c1 ZINC000305451033 642660331 /nfs/dbraw/zinc/66/03/31/642660331.db2.gz RMUJDCJYQVLGDR-SSDOTTSWSA-N 0 1 249.141 2.201 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000233832442 642699773 /nfs/dbraw/zinc/69/97/73/642699773.db2.gz UAFNNHSSSVJIGF-SNVBAGLBSA-N 0 1 236.315 2.258 20 0 BEADMN Fc1ccccc1C1(NCCn2cccn2)CC1 ZINC000179645098 642734205 /nfs/dbraw/zinc/73/42/05/642734205.db2.gz PTFRJSLXKDGNHM-UHFFFAOYSA-N 0 1 245.301 2.301 20 0 BEADMN CC[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000068721841 642798234 /nfs/dbraw/zinc/79/82/34/642798234.db2.gz IUPPUSGFRHSFCE-IUCAKERBSA-N 0 1 238.312 2.053 20 0 BEADMN COc1cccc(NNC(=O)C2CCCCC2)n1 ZINC000180681067 642805397 /nfs/dbraw/zinc/80/53/97/642805397.db2.gz QVHCINNLIPRRNO-UHFFFAOYSA-N 0 1 249.314 2.114 20 0 BEADMN CC(C)COC(=O)CN(C(C)C)C1CCC1 ZINC000181487969 642877536 /nfs/dbraw/zinc/87/75/36/642877536.db2.gz WLQIVBLDDSXRHN-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN CCONC(=O)C(C)(C)c1ccccc1 ZINC000069645125 642889101 /nfs/dbraw/zinc/88/91/01/642889101.db2.gz RFICILFDAHGPAH-UHFFFAOYSA-N 0 1 207.273 2.032 20 0 BEADMN Cc1nonc1CNCC1(C)CCCC1 ZINC000069795271 642905803 /nfs/dbraw/zinc/90/58/03/642905803.db2.gz QKEUJDZRPFTMGP-UHFFFAOYSA-N 0 1 209.293 2.048 20 0 BEADMN CCCN[C@@H](C)c1nc(-c2ccoc2)no1 ZINC000069947409 642943744 /nfs/dbraw/zinc/94/37/44/642943744.db2.gz ZQSBDHYCHACRNG-QMMMGPOBSA-N 0 1 221.260 2.390 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017872209 642981467 /nfs/dbraw/zinc/98/14/67/642981467.db2.gz NNANXWKSZMQLTO-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000070565420 643037072 /nfs/dbraw/zinc/03/70/72/643037072.db2.gz GARLFEGHAIYADT-GMTAPVOTSA-N 0 1 211.305 2.114 20 0 BEADMN CC(=O)C1CCN(CCC(F)(F)F)CC1 ZINC000070913585 643084182 /nfs/dbraw/zinc/08/41/82/643084182.db2.gz OJEXNPQKZCLRIC-UHFFFAOYSA-N 0 1 223.238 2.240 20 0 BEADMN CCOC(=O)/C=C/CN(CC)Cc1ccncc1 ZINC000131112960 643250890 /nfs/dbraw/zinc/25/08/90/643250890.db2.gz HAQYEAMALBGIRD-AATRIKPKSA-N 0 1 248.326 2.023 20 0 BEADMN O=C(NCc1cc2ccccc2[nH]1)C(F)(F)F ZINC000082277943 643294372 /nfs/dbraw/zinc/29/43/72/643294372.db2.gz DGTMXVRTOUGIDG-UHFFFAOYSA-N 0 1 242.200 2.346 20 0 BEADMN CCc1ccc(CNCc2c[nH]cn2)s1 ZINC000082394251 643308007 /nfs/dbraw/zinc/30/80/07/643308007.db2.gz LVKLVIVRTONTGH-UHFFFAOYSA-N 0 1 221.329 2.323 20 0 BEADMN C/C(=C/C(=O)N1CCN(C2CCC2)CC1)C1CC1 ZINC000733274720 643315964 /nfs/dbraw/zinc/31/59/64/643315964.db2.gz QDZDEXFYTPJTRA-QXMHVHEDSA-N 0 1 248.370 2.039 20 0 BEADMN c1ncc(CN[C@@H]2CSCc3ccccc32)[nH]1 ZINC000112344125 643333255 /nfs/dbraw/zinc/33/32/55/643333255.db2.gz RVENGTJNRVCZQB-CYBMUJFWSA-N 0 1 245.351 2.487 20 0 BEADMN CC(C)[N@@H+](CCc1cccs1)CC(=O)[O-] ZINC000082602636 643353811 /nfs/dbraw/zinc/35/38/11/643353811.db2.gz PAEQGCNUKJZONB-UHFFFAOYSA-N 0 1 227.329 2.086 20 0 BEADMN CC[C@H]1CCC[C@H](NCc2nonc2C)C1 ZINC000082847598 643385803 /nfs/dbraw/zinc/38/58/03/643385803.db2.gz ACMDYICAHXIUIN-QWRGUYRKSA-N 0 1 223.320 2.436 20 0 BEADMN CC[C@@H]1CCC[C@@H](NCc2nonc2C)C1 ZINC000082847599 643387123 /nfs/dbraw/zinc/38/71/23/643387123.db2.gz ACMDYICAHXIUIN-GHMZBOCLSA-N 0 1 223.320 2.436 20 0 BEADMN O=C(C1CCN(CC2CC2)CC1)C(F)(F)F ZINC000186002786 643422740 /nfs/dbraw/zinc/42/27/40/643422740.db2.gz AQNWFBHKCQWFKV-UHFFFAOYSA-N 0 1 235.249 2.240 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CCC[C@H]1C ZINC000247237194 643428540 /nfs/dbraw/zinc/42/85/40/643428540.db2.gz DKIGXJYACKHGNH-GHMZBOCLSA-N 0 1 213.321 2.203 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])o1 ZINC000070618184 643463998 /nfs/dbraw/zinc/46/39/98/643463998.db2.gz YEKPHMYBYKSKFL-LBPRGKRZSA-N 0 1 223.272 2.027 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)OCc1c[nH]nn1 ZINC000734460868 643499199 /nfs/dbraw/zinc/49/91/99/643499199.db2.gz LBUROOXQURURGJ-SECBINFHSA-N 0 1 237.303 2.064 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000082602644 643516365 /nfs/dbraw/zinc/51/63/65/643516365.db2.gz UQAGDUMKVLBDPR-JTQLQIEISA-N 0 1 239.340 2.230 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000083889942 643544119 /nfs/dbraw/zinc/54/41/19/643544119.db2.gz RDVZUKMRKIGFSD-JGVFFNPUSA-N 0 1 239.237 2.124 20 0 BEADMN CCCOC(=O)c1c(F)cc(O)cc1F ZINC000735949739 643571978 /nfs/dbraw/zinc/57/19/78/643571978.db2.gz GKSXMVRYHKSCQQ-UHFFFAOYSA-N 0 1 216.183 2.237 20 0 BEADMN C/C=C\COC(=O)c1c(F)cc(O)cc1F ZINC000735952691 643572603 /nfs/dbraw/zinc/57/26/03/643572603.db2.gz RBMFBJCQSZCTHE-IHWYPQMZSA-N 0 1 228.194 2.403 20 0 BEADMN COC(=O)CC1CCN(C/C=C/Cl)CC1 ZINC000050075947 643588918 /nfs/dbraw/zinc/58/89/18/643588918.db2.gz ZNDSGIMVKBUNOG-GORDUTHDSA-N 0 1 231.723 2.014 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000083638364 643600549 /nfs/dbraw/zinc/60/05/49/643600549.db2.gz ZQIYFSAINXWLNM-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN CCN(CC)CC(=O)Nc1cccnc1Cl ZINC000049412028 643620398 /nfs/dbraw/zinc/62/03/98/643620398.db2.gz UVZJSVGSPIWTPA-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1cccs1 ZINC000086269935 643630941 /nfs/dbraw/zinc/63/09/41/643630941.db2.gz DDXQVTXARNURNR-GXSJLCMTSA-N 0 1 239.340 2.086 20 0 BEADMN COC(=O)/C(C)=C/CN(C)Cc1cccs1 ZINC000084002374 643639824 /nfs/dbraw/zinc/63/98/24/643639824.db2.gz KYHRGGNDLUTHPR-UXBLZVDNSA-N 0 1 239.340 2.299 20 0 BEADMN CC(C)C1(C)CCN([C@@H]2CCOC2=O)CC1 ZINC000186188816 643648307 /nfs/dbraw/zinc/64/83/07/643648307.db2.gz LCVOSSCGLNBBAE-LLVKDONJSA-N 0 1 225.332 2.060 20 0 BEADMN COC(CN[C@@H](C)c1ccsc1)OC ZINC000050343524 643686122 /nfs/dbraw/zinc/68/61/22/643686122.db2.gz XJKFJJMLQSAOHT-QMMMGPOBSA-N 0 1 215.318 2.018 20 0 BEADMN C[C@H]1C[C@@H]1NCc1csc(-c2ccn(C)n2)n1 ZINC000921686216 643739836 /nfs/dbraw/zinc/73/98/36/643739836.db2.gz PFHAWXJKGCVGAM-KWQFWETISA-N 0 1 248.355 2.042 20 0 BEADMN Cn1ccc(CNCc2cnn(C3CCC3)c2)c1 ZINC000921812883 643800887 /nfs/dbraw/zinc/80/08/87/643800887.db2.gz XGPXUDHYRSQJCB-UHFFFAOYSA-N 0 1 244.342 2.236 20 0 BEADMN Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)cnc1C ZINC000921877328 643815587 /nfs/dbraw/zinc/81/55/87/643815587.db2.gz YQQZSYHMJAQUQH-CYBMUJFWSA-N 0 1 249.358 2.223 20 0 BEADMN C[C@@H](NCc1c2c(nn1C)CCC2)c1ccc[nH]1 ZINC000921938836 643830477 /nfs/dbraw/zinc/83/04/77/643830477.db2.gz KBGISIDEGCARBL-SNVBAGLBSA-N 0 1 244.342 2.088 20 0 BEADMN CO[C@@H](C)CNCc1c(Cl)n[nH]c1C1CC1 ZINC000922039406 643851295 /nfs/dbraw/zinc/85/12/95/643851295.db2.gz OFVQQIBDSUKTTC-ZETCQYMHSA-N 0 1 243.738 2.065 20 0 BEADMN CC=C(C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000255569290 643870570 /nfs/dbraw/zinc/87/05/70/643870570.db2.gz QHZSQXHFTISFFI-OQFOIZHKSA-N 0 1 229.283 2.145 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC000922160879 643880874 /nfs/dbraw/zinc/88/08/74/643880874.db2.gz YUVDUPYDQMWQQX-ZDUSSCGKSA-N 0 1 236.359 2.087 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1C/C=C(/C)COC ZINC000929271825 643885276 /nfs/dbraw/zinc/88/52/76/643885276.db2.gz URBLFTGALXCTQB-RLLAQXBXSA-N 0 1 227.348 2.078 20 0 BEADMN CCc1[nH]nc(Cl)c1CN[C@@H]1C=CCC1 ZINC000922240601 643916357 /nfs/dbraw/zinc/91/63/57/643916357.db2.gz IWMSUJYQGBQSRR-MRVPVSSYSA-N 0 1 225.723 2.434 20 0 BEADMN C[C@H](NCc1cc[nH]c(=O)c1)c1ccns1 ZINC000922297127 643957540 /nfs/dbraw/zinc/95/75/40/643957540.db2.gz JMLDGNGDQGKZBD-QMMMGPOBSA-N 0 1 235.312 2.095 20 0 BEADMN C/C=C/CNCc1c(Cl)n[nH]c1CC ZINC000922292806 643957753 /nfs/dbraw/zinc/95/77/53/643957753.db2.gz DOLZYANELNKUEP-HWKANZROSA-N 0 1 213.712 2.291 20 0 BEADMN Cc1cc(F)c(CNC[C@H]2CCN2C)c(F)c1 ZINC000922575683 644029052 /nfs/dbraw/zinc/02/90/52/644029052.db2.gz DIQNCHZGSUBGSS-SNVBAGLBSA-N 0 1 240.297 2.067 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000922584008 644034994 /nfs/dbraw/zinc/03/49/94/644034994.db2.gz XRLMBMBUKIDPNW-SNVBAGLBSA-N 0 1 239.363 2.436 20 0 BEADMN CCn1nc(C)c(CNCCC2CC=CC2)n1 ZINC000922735377 644078069 /nfs/dbraw/zinc/07/80/69/644078069.db2.gz PXWHFZDLCMFGTK-UHFFFAOYSA-N 0 1 234.347 2.052 20 0 BEADMN Cn1ccc(CNC[C@H]2CCCC3(CCC3)O2)n1 ZINC000922814594 644099428 /nfs/dbraw/zinc/09/94/28/644099428.db2.gz YLWFPDTVFPAJEH-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN Cn1cnc(CNC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922806897 644100183 /nfs/dbraw/zinc/10/01/83/644100183.db2.gz PSXUONZKWYNJLQ-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN CCC[C@H](O)CCNCc1nc(C(C)C)c[nH]1 ZINC000922819841 644108927 /nfs/dbraw/zinc/10/89/27/644108927.db2.gz ZSWYZAYJNIXVBQ-NSHDSACASA-N 0 1 239.363 2.174 20 0 BEADMN CCC[C@@H](O)CCNCc1cnc(C2CC2)o1 ZINC000922818991 644109288 /nfs/dbraw/zinc/10/92/88/644109288.db2.gz VZICUPJTHJLBMK-LLVKDONJSA-N 0 1 238.331 2.193 20 0 BEADMN CN(Cn1cccnc1=S)C1CCCC1 ZINC000192556818 644164161 /nfs/dbraw/zinc/16/41/61/644164161.db2.gz JGZNIVWONZEOMK-UHFFFAOYSA-N 0 1 223.345 2.444 20 0 BEADMN C[C@H]1CCCN(Cn2cccnc2=S)C1 ZINC000192555164 644164360 /nfs/dbraw/zinc/16/43/60/644164360.db2.gz YGEGDQAXJZAIET-JTQLQIEISA-N 0 1 223.345 2.302 20 0 BEADMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccoc1 ZINC000086755221 644175477 /nfs/dbraw/zinc/17/54/77/644175477.db2.gz ZMJHBUDFDJLMAM-GFCCVEGCSA-N 0 1 237.299 2.499 20 0 BEADMN CCc1onc(C)c1CN[C@@H](C)COC(C)C ZINC000922983668 644211803 /nfs/dbraw/zinc/21/18/03/644211803.db2.gz NPKXFJRFHNXDLJ-JTQLQIEISA-N 0 1 240.347 2.449 20 0 BEADMN c1ccc(CNC2([C@@H]3CCCCO3)CC2)nc1 ZINC000923027541 644237341 /nfs/dbraw/zinc/23/73/41/644237341.db2.gz MWFQSUSVYGQCQX-ZDUSSCGKSA-N 0 1 232.327 2.273 20 0 BEADMN CCn1ccnc1CNC1([C@H]2CCCCO2)CC1 ZINC000923030679 644237660 /nfs/dbraw/zinc/23/76/60/644237660.db2.gz QKVJKWFTTCTGNC-GFCCVEGCSA-N 0 1 249.358 2.094 20 0 BEADMN c1coc(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000923028176 644238161 /nfs/dbraw/zinc/23/81/61/644238161.db2.gz UXNXSKXMQACALB-GFCCVEGCSA-N 0 1 221.300 2.471 20 0 BEADMN Cc1ccoc1CN[C@]12C[C@H]1COC21CCC1 ZINC000923032330 644240104 /nfs/dbraw/zinc/24/01/04/644240104.db2.gz XCUHWYMKKIOOJZ-SMDDNHRTSA-N 0 1 233.311 2.389 20 0 BEADMN CCCCCC[C@H](O)C[N@@H+](CC(=O)[O-])C(C)C ZINC000923244486 644298220 /nfs/dbraw/zinc/29/82/20/644298220.db2.gz QMZLIGAJRVVKFS-LBPRGKRZSA-N 0 1 245.363 2.113 20 0 BEADMN CC[N@@H+](CCc1cccc(F)c1)[C@@H](C)C(=O)[O-] ZINC000923252446 644300766 /nfs/dbraw/zinc/30/07/66/644300766.db2.gz ABTNPTITCNDXHR-JTQLQIEISA-N 0 1 239.290 2.163 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2(C3CC3)CCC2)n[nH]1 ZINC000923337749 644358390 /nfs/dbraw/zinc/35/83/90/644358390.db2.gz PWJBNJGBSVVVST-MRVPVSSYSA-N 0 1 249.314 2.298 20 0 BEADMN C[C@H]1CN(CCc2cccs2)CCO1 ZINC000195313025 644374706 /nfs/dbraw/zinc/37/47/06/644374706.db2.gz GTYAJEPXDNXGFP-JTQLQIEISA-N 0 1 211.330 2.011 20 0 BEADMN CNCc1nc(-c2cc(C)cc(C)c2)no1 ZINC000082975978 644397697 /nfs/dbraw/zinc/39/76/97/644397697.db2.gz ZWIULAQJVGOMDT-UHFFFAOYSA-N 0 1 217.272 2.073 20 0 BEADMN C[N@@H+](CC1CC1)CN1CC2(CCCC2)CC1=O ZINC000083107027 644400690 /nfs/dbraw/zinc/40/06/90/644400690.db2.gz GFDTZLRBDBQYAH-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN CN(CC1CC1)CN1CC2(CCCC2)CC1=O ZINC000083107027 644400696 /nfs/dbraw/zinc/40/06/96/644400696.db2.gz GFDTZLRBDBQYAH-UHFFFAOYSA-N 0 1 236.359 2.078 20 0 BEADMN c1nc(-c2noc([C@H]3CCCCN3)n2)cs1 ZINC000083336570 644403706 /nfs/dbraw/zinc/40/37/06/644403706.db2.gz GEMRISJANYZHRI-SSDOTTSWSA-N 0 1 236.300 2.008 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000083412288 644404072 /nfs/dbraw/zinc/40/40/72/644404072.db2.gz QYMKQVQLSJUKPF-LBPRGKRZSA-N 0 1 239.340 2.353 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000083417448 644405293 /nfs/dbraw/zinc/40/52/93/644405293.db2.gz GWFXLWOSQQUGJG-LBPRGKRZSA-N 0 1 239.340 2.496 20 0 BEADMN CC(C)Oc1ccc(-c2cnc(CN)nc2)cc1 ZINC000084552602 644428203 /nfs/dbraw/zinc/42/82/03/644428203.db2.gz FPCZCEILZZJICC-UHFFFAOYSA-N 0 1 243.310 2.390 20 0 BEADMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CC2)ccc1F ZINC000086751624 644471143 /nfs/dbraw/zinc/47/11/43/644471143.db2.gz HYLFOSPCAUXWGD-UHFFFAOYSA-N 0 1 237.274 2.183 20 0 BEADMN CC(C)(CC[N@H+]1CCC(C)(C)C1)C(=O)[O-] ZINC000087259363 644485844 /nfs/dbraw/zinc/48/58/44/644485844.db2.gz ITUXAUGQDKHQCT-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000087375514 644492193 /nfs/dbraw/zinc/49/21/93/644492193.db2.gz FJGZYYNAPCRILZ-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2[C@H](C)O)s1 ZINC000245545992 644531637 /nfs/dbraw/zinc/53/16/37/644531637.db2.gz VZLNYXGUDUNLGI-QWRGUYRKSA-N 0 1 240.372 2.187 20 0 BEADMN CCC(CC)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000089310776 644541338 /nfs/dbraw/zinc/54/13/38/644541338.db2.gz FXPZVGMFFUZFJA-NXEZZACHSA-N 0 1 229.276 2.021 20 0 BEADMN CC[C@@H](C)CN(C)CN1C[C@@H](CC)CC1=O ZINC000245885728 644549887 /nfs/dbraw/zinc/54/98/87/644549887.db2.gz XGMJQFRIYSOOQM-NEPJUHHUSA-N 0 1 226.364 2.180 20 0 BEADMN CCn1ncc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000839043878 644554600 /nfs/dbraw/zinc/55/46/00/644554600.db2.gz VGFORSXWPHDPNF-GRYCIOLGSA-N 0 1 236.363 2.164 20 0 BEADMN CCCCOC(=O)[C@H](C)N1CC[C@@H](CC)C1 ZINC000246267483 644577349 /nfs/dbraw/zinc/57/73/49/644577349.db2.gz RPUIIZDZRMAEHL-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccccc1Cn1cc(CNC(C)C)nn1 ZINC000090297479 644587786 /nfs/dbraw/zinc/58/77/86/644587786.db2.gz MMQRTDRFGJOEMK-UHFFFAOYSA-N 0 1 244.342 2.133 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCC[C@H](C)[C@H]1C ZINC000246769652 644605562 /nfs/dbraw/zinc/60/55/62/644605562.db2.gz OCHZWGARAYIDRA-TUAOUCFPSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1cccnc1Cl ZINC000090774224 644606194 /nfs/dbraw/zinc/60/61/94/644606194.db2.gz BCSCDFUVVKQPLV-BDAKNGLRSA-N 0 1 226.707 2.175 20 0 BEADMN Cc1cc(CNC[C@H]2Cc3ccccc32)no1 ZINC000090976593 644608960 /nfs/dbraw/zinc/60/89/60/644608960.db2.gz MPELWMVGNKHDAS-GFCCVEGCSA-N 0 1 228.295 2.413 20 0 BEADMN O=C(NOc1ccccc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000773465623 644693062 /nfs/dbraw/zinc/69/30/62/644693062.db2.gz HGCVFQVPBSABFU-GDNZZTSVSA-N 0 1 217.268 2.143 20 0 BEADMN CC[N@H+](CC(=O)[O-])Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000249704113 644732923 /nfs/dbraw/zinc/73/29/23/644732923.db2.gz GKSYQUDLZVXLQK-KOLCDFICSA-N 0 1 237.299 2.310 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000249704113 644732926 /nfs/dbraw/zinc/73/29/26/644732926.db2.gz GKSYQUDLZVXLQK-KOLCDFICSA-N 0 1 237.299 2.310 20 0 BEADMN CO[C@@H]1CN(C/C=C/Cl)CC[C@H]1C ZINC000251635376 644814959 /nfs/dbraw/zinc/81/49/59/644814959.db2.gz GZXSDPWRBDEODT-OTIHIVFHSA-N 0 1 203.713 2.096 20 0 BEADMN C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC000251782048 644821264 /nfs/dbraw/zinc/82/12/64/644821264.db2.gz FOTDGMYHQFCNKO-NOOOWODRSA-N 0 1 225.332 2.360 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC(C)(C)C2)s1 ZINC000809574328 644893573 /nfs/dbraw/zinc/89/35/73/644893573.db2.gz JHQITMUQDMAZLT-SECBINFHSA-N 0 1 240.372 2.428 20 0 BEADMN CCN(Cc1nonc1C)CC(C)(C)C ZINC000812891590 644934210 /nfs/dbraw/zinc/93/42/10/644934210.db2.gz PCRIRCOGRSDQEP-UHFFFAOYSA-N 0 1 211.309 2.246 20 0 BEADMN Cc1cc(CN2CC3(C2)CCOC3)c(C)o1 ZINC000816668891 644965037 /nfs/dbraw/zinc/96/50/37/644965037.db2.gz AGYMTPABUYQLAN-UHFFFAOYSA-N 0 1 221.300 2.119 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)C[C@H](CC)O1 ZINC000817280779 644968965 /nfs/dbraw/zinc/96/89/65/644968965.db2.gz LULQSTPXAQCYDS-BETUJISGSA-N 0 1 241.375 2.491 20 0 BEADMN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(F)c1O ZINC000823711234 645050410 /nfs/dbraw/zinc/05/04/10/645050410.db2.gz LIIHPRUGAMDVKN-LPEHRKFASA-N 0 1 249.285 2.450 20 0 BEADMN CCSCCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000826889514 645069397 /nfs/dbraw/zinc/06/93/97/645069397.db2.gz VZSMZKXHRNWTSF-UWVGGRQHSA-N 0 1 240.376 2.017 20 0 BEADMN COC(CNC1(c2ccccc2C)CC1)OC ZINC000829499713 645109319 /nfs/dbraw/zinc/10/93/19/645109319.db2.gz CYETVONSIHTYNX-UHFFFAOYSA-N 0 1 235.327 2.193 20 0 BEADMN CCC/C=C/C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837009556 645186030 /nfs/dbraw/zinc/18/60/30/645186030.db2.gz XYNSTQXIVGRJAP-SBDDDAINSA-N 0 1 238.375 2.285 20 0 BEADMN O=C(NCCC1CC(F)(F)C1)C(F)(F)F ZINC000837219355 645193267 /nfs/dbraw/zinc/19/32/67/645193267.db2.gz RVPHZPOWXNOABZ-UHFFFAOYSA-N 0 1 231.164 2.100 20 0 BEADMN COCc1ccc(CON=C(N)C(C)C)cc1 ZINC000842040066 645236889 /nfs/dbraw/zinc/23/68/89/645236889.db2.gz QXCZKOSSKKEVPS-UHFFFAOYSA-N 0 1 236.315 2.487 20 0 BEADMN C[C@H](NCC1(CF)CCOCC1)c1ncco1 ZINC000926526472 645252984 /nfs/dbraw/zinc/25/29/84/645252984.db2.gz FSJBLSBQEGCAMX-JTQLQIEISA-N 0 1 242.294 2.092 20 0 BEADMN CC[C@H](N[C@H]1CCCc2oc(C)nc21)[C@@H](C)O ZINC000926524451 645255771 /nfs/dbraw/zinc/25/57/71/645255771.db2.gz DLTDAWXKAPCOID-MIMYLULJSA-N 0 1 238.331 2.109 20 0 BEADMN C[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1ncco1 ZINC000926551556 645273322 /nfs/dbraw/zinc/27/33/22/645273322.db2.gz RSIQVCVVQCJGHN-MIMYLULJSA-N 0 1 206.289 2.371 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cc(CO)on1 ZINC000926569717 645289004 /nfs/dbraw/zinc/28/90/04/645289004.db2.gz TYCMXMMWPQJMGU-OPQQBVKSSA-N 0 1 238.331 2.252 20 0 BEADMN C[C@@H](N[C@@H](C)C1(Cl)CC1)c1ccn(C)n1 ZINC000926578652 645297129 /nfs/dbraw/zinc/29/71/29/645297129.db2.gz ZAUPVEXZFCMOQC-BDAKNGLRSA-N 0 1 227.739 2.231 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccnnc1 ZINC000926588118 645302661 /nfs/dbraw/zinc/30/26/61/645302661.db2.gz VMBDIBAHZKSHON-MVWJERBFSA-N 0 1 223.295 2.408 20 0 BEADMN Cc1oncc1CN1CCC[C@@H](OC(C)C)C1 ZINC000844381853 645325113 /nfs/dbraw/zinc/32/51/13/645325113.db2.gz NOOLFLWREATJER-CYBMUJFWSA-N 0 1 238.331 2.372 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)[C@H](CC)CO1 ZINC000844387352 645326537 /nfs/dbraw/zinc/32/65/37/645326537.db2.gz QOZBMHJAYZOWKA-CHWSQXEVSA-N 0 1 241.375 2.491 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CCS[C@@H]2C)on1 ZINC000926640084 645328509 /nfs/dbraw/zinc/32/85/09/645328509.db2.gz CFQXYXCVILOWOE-YIZRAAEISA-N 0 1 242.344 2.228 20 0 BEADMN FC1(F)C[C@]12CCCN(Cc1c[nH]cn1)C2 ZINC000844442176 645332317 /nfs/dbraw/zinc/33/23/17/645332317.db2.gz WLERDDXMELXCGV-JTQLQIEISA-N 0 1 227.258 2.031 20 0 BEADMN Cn1nccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844442735 645332327 /nfs/dbraw/zinc/33/23/27/645332327.db2.gz ZEJPZNFKRNKXEL-LLVKDONJSA-N 0 1 241.285 2.041 20 0 BEADMN Cc1nonc1[C@H](C)NC1(C2CCC2)CC1 ZINC000926647830 645334425 /nfs/dbraw/zinc/33/44/25/645334425.db2.gz GGTNBWNQGXYRKL-QMMMGPOBSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@@H](NC[C@H]1CCN1C(C)(C)C)c1ncco1 ZINC000926670890 645348317 /nfs/dbraw/zinc/34/83/17/645348317.db2.gz GJKIXTAEYRJTQD-GHMZBOCLSA-N 0 1 237.347 2.198 20 0 BEADMN CC[C@H](C)CCN[C@@H](C)c1cc(CO)on1 ZINC000926682335 645351659 /nfs/dbraw/zinc/35/16/59/645351659.db2.gz BGCIFLBDIJJHGH-UWVGGRQHSA-N 0 1 226.320 2.254 20 0 BEADMN CC[C@H](C)CCN[C@H](C)c1nonc1C ZINC000926686393 645354774 /nfs/dbraw/zinc/35/47/74/645354774.db2.gz VXIAUCCEQGTHDV-DTWKUNHWSA-N 0 1 211.309 2.465 20 0 BEADMN Cc1nonc1[C@@H](C)NCCC(C)(C)F ZINC000926700484 645366725 /nfs/dbraw/zinc/36/67/25/645366725.db2.gz DOGRMZLPUPDZEJ-SSDOTTSWSA-N 0 1 215.272 2.167 20 0 BEADMN C[C@@H]1C[C@H](NCCC(C)(C)F)c2ncnn21 ZINC000926703597 645369961 /nfs/dbraw/zinc/36/99/61/645369961.db2.gz UQFLZDPKCBNZCX-BDAKNGLRSA-N 0 1 226.299 2.012 20 0 BEADMN C[C@H](NCCCC1CCC1)c1cnn(C)n1 ZINC000926707014 645372681 /nfs/dbraw/zinc/37/26/81/645372681.db2.gz ZGCAKMDNNJDBPQ-JTQLQIEISA-N 0 1 222.336 2.046 20 0 BEADMN C[C@@H](NCc1cocn1)[C@@](C)(O)c1ccccc1 ZINC000846045723 645391033 /nfs/dbraw/zinc/39/10/33/645391033.db2.gz VWIRZWODNBKLIU-BXUZGUMPSA-N 0 1 246.310 2.060 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC2CC(C)(C)C2)n1 ZINC000926731688 645392275 /nfs/dbraw/zinc/39/22/75/645392275.db2.gz DHQMMHVYFNMXAU-SECBINFHSA-N 0 1 236.363 2.446 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@H]1CC1(F)F ZINC000926737261 645393796 /nfs/dbraw/zinc/39/37/96/645393796.db2.gz OIZZJZDKQBUEED-SVRRBLITSA-N 0 1 231.246 2.074 20 0 BEADMN Cc1nonc1[C@@H](C)NC1CC(C)(C)C1 ZINC000926735753 645396083 /nfs/dbraw/zinc/39/60/83/645396083.db2.gz YHXLIDILQGQELR-SSDOTTSWSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H](NCC[C@H]1CC1(F)F)c1ncco1 ZINC000926739285 645397319 /nfs/dbraw/zinc/39/73/19/645397319.db2.gz ZDHBVNNQNYLMBF-YUMQZZPRSA-N 0 1 216.231 2.371 20 0 BEADMN C/C=C\CN[C@@H](C)c1cc(OC)ccn1 ZINC000926770944 645417288 /nfs/dbraw/zinc/41/72/88/645417288.db2.gz WVNJSZHTSSEZAL-LWTINBJPSA-N 0 1 206.289 2.317 20 0 BEADMN Cc1nonc1[C@@H](C)NCC[C@@H]1CCCS1 ZINC000926788675 645432445 /nfs/dbraw/zinc/43/24/45/645432445.db2.gz BFIGSJZLZUZTEQ-SCZZXKLOSA-N 0 1 241.360 2.314 20 0 BEADMN C[C@@H]1C[C@@H](NCCCCC2CC2)c2ncnn21 ZINC000926795787 645438123 /nfs/dbraw/zinc/43/81/23/645438123.db2.gz MAUJKBDUPAJXLS-ZYHUDNBSSA-N 0 1 234.347 2.454 20 0 BEADMN Cc1ccc(CN[C@H]2COC[C@H]2C)c(Cl)n1 ZINC000926849717 645457298 /nfs/dbraw/zinc/45/72/98/645457298.db2.gz FTEPSZWIXYYTGZ-KCJUWKMLSA-N 0 1 240.734 2.168 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000926868646 645465365 /nfs/dbraw/zinc/46/53/65/645465365.db2.gz LEWCRIGMFANRRN-MZPHRCEOSA-N 0 1 235.331 2.321 20 0 BEADMN Cc1nonc1[C@H](C)NCC[C@@H]1C[C@H]1C1CC1 ZINC000926878890 645472202 /nfs/dbraw/zinc/47/22/02/645472202.db2.gz MCWZQUQZCAVYJG-AXTRIDKLSA-N 0 1 235.331 2.465 20 0 BEADMN CCC[C@@H](O)CCN[C@H](C)c1cscn1 ZINC000927018883 645516808 /nfs/dbraw/zinc/51/68/08/645516808.db2.gz PTALBGXUWWDMIY-NXEZZACHSA-N 0 1 228.361 2.345 20 0 BEADMN CCC[C@@H](O)CCN[C@@H](C)c1nccn1CC ZINC000927018764 645517885 /nfs/dbraw/zinc/51/78/85/645517885.db2.gz BLJDQJCESKMQFA-NWDGAFQWSA-N 0 1 239.363 2.105 20 0 BEADMN Fc1ccc2c(c1)CCN(CCOC1CC1)C2 ZINC000930162851 645535627 /nfs/dbraw/zinc/53/56/27/645535627.db2.gz KSINYGZKFKIHKW-UHFFFAOYSA-N 0 1 235.302 2.363 20 0 BEADMN CCc1onc(C)c1CN[C@H]1COC(C)(C)C1 ZINC000927135365 645564642 /nfs/dbraw/zinc/56/46/42/645564642.db2.gz RQFJJFGCIUUGHB-SNVBAGLBSA-N 0 1 238.331 2.203 20 0 BEADMN C/C=C(\CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927698721 645639164 /nfs/dbraw/zinc/63/91/64/645639164.db2.gz CABYHNYWKFHORB-VZUCSPMQSA-N 0 1 247.342 2.120 20 0 BEADMN CCC(C)(C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927702107 645641980 /nfs/dbraw/zinc/64/19/80/645641980.db2.gz KORBBBZDDNINQB-UHFFFAOYSA-N 0 1 249.358 2.200 20 0 BEADMN CN(C)c1ccnc(CNC(=O)CC(C)(C)C)c1 ZINC000927707767 645645466 /nfs/dbraw/zinc/64/54/66/645645466.db2.gz PZEMLNJRILMNPV-UHFFFAOYSA-N 0 1 249.358 2.200 20 0 BEADMN CCCONC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862103165 645694624 /nfs/dbraw/zinc/69/46/24/645694624.db2.gz DBLIHWKOGIGDGE-CYBMUJFWSA-N 0 1 249.310 2.183 20 0 BEADMN CCCC[C@@H](C(=O)NC[C@H]1CCN1C)C(C)C ZINC000928551132 645804324 /nfs/dbraw/zinc/80/43/24/645804324.db2.gz LGUWNGZUAKTLIS-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CCC[C@](C)(CC)C(=O)NC[C@@H]1CCN1C ZINC000928557484 645817642 /nfs/dbraw/zinc/81/76/42/645817642.db2.gz SYOKDTQKYTVHKS-AAEUAGOBSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCN1C ZINC000928566855 645827602 /nfs/dbraw/zinc/82/76/02/645827602.db2.gz RWAHVOJATKFPRO-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1nonc1C ZINC000925484342 645921962 /nfs/dbraw/zinc/92/19/62/645921962.db2.gz DZXUZWNTXORTEH-SFGNSQDASA-N 0 1 209.293 2.217 20 0 BEADMN CCC1(CN[C@H](C)c2cc(CO)on2)CC1 ZINC000925498727 645934172 /nfs/dbraw/zinc/93/41/72/645934172.db2.gz RVWRPUPCGWBBRN-SECBINFHSA-N 0 1 224.304 2.008 20 0 BEADMN O=C(c1cc(F)cc(F)c1O)N1CCCCC1 ZINC000929097655 645937609 /nfs/dbraw/zinc/93/76/09/645937609.db2.gz RQMDBEHEUDSBMY-UHFFFAOYSA-N 0 1 241.237 2.297 20 0 BEADMN COC(=O)/C=C(/C)CN(C)Cc1ccsc1 ZINC000929180199 645986578 /nfs/dbraw/zinc/98/65/78/645986578.db2.gz NKJLVGINOBPRHF-POHAHGRESA-N 0 1 239.340 2.299 20 0 BEADMN CC[C@@H]1CCC[N@@H+](Cc2nn(C)cc2C)C1 ZINC000929200385 646001270 /nfs/dbraw/zinc/00/12/70/646001270.db2.gz HFAWAHJJCHPUOD-GFCCVEGCSA-N 0 1 221.348 2.351 20 0 BEADMN CC(C)[C@@H](C)[N@@H+](C)Cc1noc2c1COCC2 ZINC000929200451 646001786 /nfs/dbraw/zinc/00/17/86/646001786.db2.gz IHTMRMXXRWCQKB-SNVBAGLBSA-N 0 1 238.331 2.224 20 0 BEADMN CC(C)[C@@H](C)N(C)Cc1noc2c1COCC2 ZINC000929200451 646001790 /nfs/dbraw/zinc/00/17/90/646001790.db2.gz IHTMRMXXRWCQKB-SNVBAGLBSA-N 0 1 238.331 2.224 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC[C@H](C)C1 ZINC000929212137 646008279 /nfs/dbraw/zinc/00/82/79/646008279.db2.gz QILLECXUNFDRCR-QWRGUYRKSA-N 0 1 205.305 2.270 20 0 BEADMN COC(=O)c1cncc(CN2CCCC[C@@H]2C)c1 ZINC000929218065 646017091 /nfs/dbraw/zinc/01/70/91/646017091.db2.gz NSVFFYVHZULMGV-NSHDSACASA-N 0 1 248.326 2.243 20 0 BEADMN C[C@@H](c1ncccn1)N1CCCCCC1 ZINC000929233106 646025518 /nfs/dbraw/zinc/02/55/18/646025518.db2.gz DDVAEPVWILBHOU-NSHDSACASA-N 0 1 205.305 2.414 20 0 BEADMN CC(C)c1n[nH]c(COC(=O)[C@]2(C)C=CCC2)n1 ZINC000924407915 646031213 /nfs/dbraw/zinc/03/12/13/646031213.db2.gz MIRXIDHFNVGMGW-CYBMUJFWSA-N 0 1 249.314 2.328 20 0 BEADMN CC(C)c1nc(COC(=O)[C@]2(C)C=CCC2)n[nH]1 ZINC000924407915 646031217 /nfs/dbraw/zinc/03/12/17/646031217.db2.gz MIRXIDHFNVGMGW-CYBMUJFWSA-N 0 1 249.314 2.328 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CCCO1 ZINC000924542243 646060950 /nfs/dbraw/zinc/06/09/50/646060950.db2.gz HZEGVQIAINMDIX-QWRGUYRKSA-N 0 1 236.315 2.129 20 0 BEADMN C[C@@H](N[C@H](C)c1cnnn1C)c1cccs1 ZINC000924548766 646063883 /nfs/dbraw/zinc/06/38/83/646063883.db2.gz MDGIHGJEIHWJKO-RKDXNWHRSA-N 0 1 236.344 2.288 20 0 BEADMN C[C@@H](N[C@H](C)c1ccnnc1)c1cccnc1 ZINC000924560412 646067865 /nfs/dbraw/zinc/06/78/65/646067865.db2.gz BPAYANGSLKADMM-GHMZBOCLSA-N 0 1 228.299 2.283 20 0 BEADMN C[C@H](NCCCC1CCCC1)c1cnn(C)n1 ZINC000924604798 646076685 /nfs/dbraw/zinc/07/66/85/646076685.db2.gz RBKADXPBNHHDSF-NSHDSACASA-N 0 1 236.363 2.436 20 0 BEADMN C(NC1CC2(C1)CCCC2)c1nnc2n1CCC2 ZINC000924625194 646081357 /nfs/dbraw/zinc/08/13/57/646081357.db2.gz OLOAOSRYOTYMSR-UHFFFAOYSA-N 0 1 246.358 2.037 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N1CCN(C2CC2)CC1 ZINC000929361861 646095078 /nfs/dbraw/zinc/09/50/78/646095078.db2.gz UTNQUSGONDGKIV-NSHDSACASA-N 0 1 249.333 2.062 20 0 BEADMN COC(=O)/C=C(\C)CN(C)[C@H](C)c1ccco1 ZINC000929369584 646101578 /nfs/dbraw/zinc/10/15/78/646101578.db2.gz CGHLWJYEBBBAOY-RJCSOLBVSA-N 0 1 237.299 2.392 20 0 BEADMN C[C@@H](c1ccco1)N(C)CCO[C@@H]1CCOC1 ZINC000929369249 646102002 /nfs/dbraw/zinc/10/20/02/646102002.db2.gz GEWPYYOSDZBVGR-NWDGAFQWSA-N 0 1 239.315 2.078 20 0 BEADMN Cc1cc(CNC2CC3(C2)CO[C@@H](C)C3)no1 ZINC000924776940 646104644 /nfs/dbraw/zinc/10/46/44/646104644.db2.gz OSZJIEASMZVERK-PKSQDBQZSA-N 0 1 236.315 2.030 20 0 BEADMN CCCCOCCN[C@@H](C)c1cc(OC)no1 ZINC000924853767 646119096 /nfs/dbraw/zinc/11/90/96/646119096.db2.gz PTMFVRJOEGWDJN-JTQLQIEISA-N 0 1 242.319 2.151 20 0 BEADMN Cc1cccc(CCN[C@H](C)c2cnn(C)n2)c1 ZINC000924880639 646123116 /nfs/dbraw/zinc/12/31/16/646123116.db2.gz HJUPYWBBLMVXMU-GFCCVEGCSA-N 0 1 244.342 2.017 20 0 BEADMN C[C@H](NC1CC2(C1)CCCC2)c1nncn1C ZINC000924946005 646138076 /nfs/dbraw/zinc/13/80/76/646138076.db2.gz NUBQGUFCFRMSHD-JTQLQIEISA-N 0 1 234.347 2.189 20 0 BEADMN CO[C@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929502321 646154907 /nfs/dbraw/zinc/15/49/07/646154907.db2.gz IUOHUDDHQUJSNZ-JQWIXIFHSA-N 0 1 238.306 2.393 20 0 BEADMN CC1(C)CCCN1CC[S@@](=O)C(F)(F)F ZINC000929504293 646156114 /nfs/dbraw/zinc/15/61/14/646156114.db2.gz GRAKOMLESHZNTJ-OAHLLOKOSA-N 0 1 243.294 2.129 20 0 BEADMN CCc1onc(C)c1C[N@H+]1CCC[C@@H](OC)C1 ZINC000929508008 646159195 /nfs/dbraw/zinc/15/91/95/646159195.db2.gz UXSRGTPBLXUMCQ-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN CCc1onc(C)c1CN1CCC[C@@H](OC)C1 ZINC000929508008 646159197 /nfs/dbraw/zinc/15/91/97/646159197.db2.gz UXSRGTPBLXUMCQ-LLVKDONJSA-N 0 1 238.331 2.156 20 0 BEADMN Cc1cn(C)nc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000929510065 646160047 /nfs/dbraw/zinc/16/00/47/646160047.db2.gz FXLSJMRDPGTDHX-CYBMUJFWSA-N 0 1 219.332 2.103 20 0 BEADMN CCC[N@@H+](Cc1nn(C)cc1C)C1CC1 ZINC000929517688 646168257 /nfs/dbraw/zinc/16/82/57/646168257.db2.gz XXWXATFVHXUJLE-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN CCCN(Cc1nn(C)cc1C)C1CC1 ZINC000929517688 646168260 /nfs/dbraw/zinc/16/82/60/646168260.db2.gz XXWXATFVHXUJLE-UHFFFAOYSA-N 0 1 207.321 2.103 20 0 BEADMN CCc1cc(CN[C@@H](C)c2c(C)noc2C)[nH]n1 ZINC000925058843 646171972 /nfs/dbraw/zinc/17/19/72/646171972.db2.gz ZAJWVOXDDXJNQD-QMMMGPOBSA-N 0 1 248.330 2.428 20 0 BEADMN CSC[C@@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925094864 646182414 /nfs/dbraw/zinc/18/24/14/646182414.db2.gz HYAKIQRHRPOZKC-ZJUUUORDSA-N 0 1 242.392 2.261 20 0 BEADMN CSCCCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000925100607 646183723 /nfs/dbraw/zinc/18/37/23/646183723.db2.gz UNTOUDVOWQKDAQ-VHSXEESVSA-N 0 1 240.376 2.017 20 0 BEADMN COc1cc([C@@H](C)NC[C@@H](OC)C(C)C)on1 ZINC000925191645 646198032 /nfs/dbraw/zinc/19/80/32/646198032.db2.gz OLBMCBLSXCVXOC-MWLCHTKSSA-N 0 1 242.319 2.005 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cn(C)cn1)C(C)(C)C ZINC000925187069 646202632 /nfs/dbraw/zinc/20/26/32/646202632.db2.gz BGAQPBNQHNFNTM-JQWIXIFHSA-N 0 1 239.363 2.132 20 0 BEADMN C[C@@H](c1ccc(F)nc1)N(C)CCn1cccn1 ZINC000929621772 646207593 /nfs/dbraw/zinc/20/75/93/646207593.db2.gz RIOARMLPEXLOSL-NSHDSACASA-N 0 1 248.305 2.110 20 0 BEADMN CCc1ncc(CN2CCC(COC)CC2)o1 ZINC000929629008 646211759 /nfs/dbraw/zinc/21/17/59/646211759.db2.gz KRKNUEAESSRTIG-UHFFFAOYSA-N 0 1 238.331 2.095 20 0 BEADMN CC[C@H]1COCCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929660394 646230290 /nfs/dbraw/zinc/23/02/90/646230290.db2.gz UKAFTNZBLVEHNV-YFKTTZPYSA-N 0 1 245.313 2.389 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ncco1 ZINC000925280446 646231967 /nfs/dbraw/zinc/23/19/67/646231967.db2.gz RAGQSDJYCOLKIZ-QCNOEVLYSA-N 0 1 236.315 2.283 20 0 BEADMN CC(C)c1csc(CN[C@H]2COC[C@@H]2C)n1 ZINC000925282992 646232218 /nfs/dbraw/zinc/23/22/18/646232218.db2.gz MQWYLISBTNPGIH-UWVGGRQHSA-N 0 1 240.372 2.391 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ncco1 ZINC000925280445 646232417 /nfs/dbraw/zinc/23/24/17/646232417.db2.gz RAGQSDJYCOLKIZ-NNYUYHANSA-N 0 1 236.315 2.283 20 0 BEADMN C[C@@H]1C[C@H](CN(C)Cc2ccon2)C[C@H](C)O1 ZINC000929694384 646249531 /nfs/dbraw/zinc/24/95/31/646249531.db2.gz AJMUUIPJRUBUPK-GDNZZTSVSA-N 0 1 238.331 2.310 20 0 BEADMN CC[C@@H](CO)N1CCc2c(Cl)cccc2C1 ZINC000929694653 646249606 /nfs/dbraw/zinc/24/96/06/646249606.db2.gz XVWVSZCXFDBZSM-NSHDSACASA-N 0 1 239.746 2.469 20 0 BEADMN C[C@@H]1C[C@H](NCCCC2CC2)c2ncnn21 ZINC000925435228 646282123 /nfs/dbraw/zinc/28/21/23/646282123.db2.gz PAXBCCVXDKZBIY-KOLCDFICSA-N 0 1 220.320 2.064 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nncs1 ZINC000929764609 646296650 /nfs/dbraw/zinc/29/66/50/646296650.db2.gz XMNCWCRUFHJVNQ-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN COCC(COC)N1Cc2ccccc2[C@@H]1C ZINC000929767399 646298360 /nfs/dbraw/zinc/29/83/60/646298360.db2.gz TWCLUISTJPCVJJ-NSHDSACASA-N 0 1 235.327 2.225 20 0 BEADMN CC(C)CC1(CN[C@@H](C)c2cnn(C)n2)CC1 ZINC000925516523 646310459 /nfs/dbraw/zinc/31/04/59/646310459.db2.gz DHYCLFVCNSETQP-NSHDSACASA-N 0 1 236.363 2.292 20 0 BEADMN Cc1cccc(C)c1CN[C@H](C)c1cnnn1C ZINC000925544933 646324910 /nfs/dbraw/zinc/32/49/10/646324910.db2.gz FJQBZJORGQDOMP-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN CS[C@H](C)CN[C@H](C)c1cn(C(C)C)nn1 ZINC000925599611 646346774 /nfs/dbraw/zinc/34/67/74/646346774.db2.gz ASQXQYKEMYVZNF-NXEZZACHSA-N 0 1 242.392 2.261 20 0 BEADMN COC/C(C)=C/CN1CCOC(C)(C)[C@@H]1C ZINC000929840687 646352543 /nfs/dbraw/zinc/35/25/43/646352543.db2.gz FJBGXXSLIYZQMA-BCMYLCSRSA-N 0 1 227.348 2.078 20 0 BEADMN C[C@@H]1OCCN(CCCc2cccnc2)[C@H]1C ZINC000929845111 646355810 /nfs/dbraw/zinc/35/58/10/646355810.db2.gz VRXJURRRIUMPPX-STQMWFEESA-N 0 1 234.343 2.123 20 0 BEADMN CCN(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC000929863325 646364002 /nfs/dbraw/zinc/36/40/02/646364002.db2.gz KKYQDFXQCQFNIJ-UHFFFAOYSA-N 0 1 241.237 2.295 20 0 BEADMN COC/C(C)=C/CN1CCc2ccc(O)cc2C1 ZINC000929992204 646388922 /nfs/dbraw/zinc/38/89/22/646388922.db2.gz NUNGNTSZEXKYMF-LFYBBSHMSA-N 0 1 247.338 2.343 20 0 BEADMN CC(C)CN(C)C(=O)c1cccc(F)c1O ZINC000930029614 646391833 /nfs/dbraw/zinc/39/18/33/646391833.db2.gz WYQBMHIDQJTWTJ-UHFFFAOYSA-N 0 1 225.263 2.259 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cn2c(n1)CCCC2 ZINC000925660733 646396675 /nfs/dbraw/zinc/39/66/75/646396675.db2.gz AHZJHOKWOZYFKR-QJPTWQEYSA-N 0 1 249.358 2.047 20 0 BEADMN CC[C@H](CSC)N[C@H]1C[C@H](C)n2ncnc21 ZINC000925691008 646412494 /nfs/dbraw/zinc/41/24/94/646412494.db2.gz LDAPQSZVFIWSGM-AEJSXWLSSA-N 0 1 240.376 2.015 20 0 BEADMN C[C@@H]1C[C@H](CN(C)Cc2ncc[nH]2)C[C@H](C)O1 ZINC000930122182 646444950 /nfs/dbraw/zinc/44/49/50/646444950.db2.gz VKFNWTSUSVZHSU-GDNZZTSVSA-N 0 1 237.347 2.045 20 0 BEADMN c1cncc(CCCN2CCOC[C@H]2C2CC2)c1 ZINC000930130543 646451712 /nfs/dbraw/zinc/45/17/12/646451712.db2.gz OUXVOQUNEBIYEX-HNNXBMFYSA-N 0 1 246.354 2.125 20 0 BEADMN COC1(OC)CC[C@H]1NC1(c2ccccc2)CC1 ZINC000925825849 646498178 /nfs/dbraw/zinc/49/81/78/646498178.db2.gz IRTLHEYDJLDGCV-CYBMUJFWSA-N 0 1 247.338 2.417 20 0 BEADMN CCC[C@H](N[C@@H]1CNOC1)c1ccsc1 ZINC000925861531 646514797 /nfs/dbraw/zinc/51/47/97/646514797.db2.gz DTFBNJGQXLVSLH-MNOVXSKESA-N 0 1 226.345 2.082 20 0 BEADMN CC[C@@H](N[C@H]1CNOC1)c1ccc(Cl)s1 ZINC000925869178 646519443 /nfs/dbraw/zinc/51/94/43/646519443.db2.gz XAKKNKLHJBWRKV-JGVFFNPUSA-N 0 1 246.763 2.346 20 0 BEADMN C[C@@H]1CC[C@H](N[C@H]2CNOC2)c2ccccc21 ZINC000925870011 646521429 /nfs/dbraw/zinc/52/14/29/646521429.db2.gz NZCIQFYMUROHJB-SUNKGSAMSA-N 0 1 232.327 2.118 20 0 BEADMN COc1ccnc([C@H](C)NCCOC(C)C)c1 ZINC000926152997 646585461 /nfs/dbraw/zinc/58/54/61/646585461.db2.gz AHAZRTCTWDTBGM-NSHDSACASA-N 0 1 238.331 2.166 20 0 BEADMN COC1CC(N[C@H]2CCCc3oc(C)nc32)C1 ZINC000926157361 646587049 /nfs/dbraw/zinc/58/70/49/646587049.db2.gz VFNJNBDKRXUWPT-ILDUYXDCSA-N 0 1 236.315 2.127 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H](C2CC2)C1)c1ncco1 ZINC000926184612 646590852 /nfs/dbraw/zinc/59/08/52/646590852.db2.gz UQJMOGUPLLJAPE-WCQGTBRESA-N 0 1 236.315 2.283 20 0 BEADMN C[C@H](NC[C@H]1CC12CCOCC2)c1ncco1 ZINC000926228633 646598656 /nfs/dbraw/zinc/59/86/56/646598656.db2.gz OOJSVKBWRRSTFN-WDEREUQCSA-N 0 1 236.315 2.142 20 0 BEADMN C[C@@H](NC[C@H]1CC12CCOCC2)c1ncco1 ZINC000926228630 646600327 /nfs/dbraw/zinc/60/03/27/646600327.db2.gz OOJSVKBWRRSTFN-GHMZBOCLSA-N 0 1 236.315 2.142 20 0 BEADMN CO[C@@H](C)[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000926253807 646606242 /nfs/dbraw/zinc/60/62/42/646606242.db2.gz VVWTVAVBVIYIRZ-QXEWZRGKSA-N 0 1 238.331 2.373 20 0 BEADMN CCOC[C@@H](N[C@H](C)c1nonc1C)C(C)C ZINC000926260473 646607120 /nfs/dbraw/zinc/60/71/20/646607120.db2.gz SUSNKVJJSOYBRG-MWLCHTKSSA-N 0 1 241.335 2.090 20 0 BEADMN Cc1nonc1[C@H](C)N[C@H]1CC12CCCC2 ZINC000926285487 646611059 /nfs/dbraw/zinc/61/10/59/646611059.db2.gz RZASNJCXGOIWDE-WPRPVWTQSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@H](NC[C@H]1CCCCN1C1CC1)c1ncco1 ZINC000926290326 646613145 /nfs/dbraw/zinc/61/31/45/646613145.db2.gz MDZVDKOUJSMYSX-WCQYABFASA-N 0 1 249.358 2.342 20 0 BEADMN CCC[C@@H]1C[C@H]1N[C@H]1C[C@H](C)n2ncnc21 ZINC000926345073 646622272 /nfs/dbraw/zinc/62/22/72/646622272.db2.gz BQGOETPTMDQCQZ-ZDCRXTMVSA-N 0 1 220.320 2.062 20 0 BEADMN CC[C@H](CN[C@@H]1CCCc2oc(C)nc21)OC ZINC000926458699 646646759 /nfs/dbraw/zinc/64/67/59/646646759.db2.gz YTXANSPUNLASKI-GHMZBOCLSA-N 0 1 238.331 2.375 20 0 BEADMN CC[C@H](CN[C@H]1CCCc2oc(C)nc21)OC ZINC000926458700 646646849 /nfs/dbraw/zinc/64/68/49/646646849.db2.gz YTXANSPUNLASKI-MNOVXSKESA-N 0 1 238.331 2.375 20 0 BEADMN CCCc1nc(C)c(CN[C@H]2COC[C@H]2C)o1 ZINC000926477324 646655364 /nfs/dbraw/zinc/65/53/64/646655364.db2.gz UPVISVSJBXRFHD-KOLCDFICSA-N 0 1 238.331 2.060 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCC[C@@H](C)F)n1 ZINC000926485165 646656017 /nfs/dbraw/zinc/65/60/17/646656017.db2.gz JJDNMNHXAMZBAQ-RKDXNWHRSA-N 0 1 228.315 2.005 20 0 BEADMN CC(C)[C@H]1COCC[C@H]1NCC(C)(F)F ZINC000926485298 646657547 /nfs/dbraw/zinc/65/75/47/646657547.db2.gz DKWJBGBBQLYKCU-NXEZZACHSA-N 0 1 221.291 2.292 20 0 BEADMN C[C@H]1COC[C@H]1NCc1c(F)cc(F)cc1F ZINC000926490794 646660245 /nfs/dbraw/zinc/66/02/45/646660245.db2.gz YTDNILGDVMRFPC-JVXZTZIISA-N 0 1 245.244 2.228 20 0 BEADMN Cc1nonc1[C@@H](C)NCCCC(C)(F)F ZINC000926497453 646662722 /nfs/dbraw/zinc/66/27/22/646662722.db2.gz XNKHHXAGBJNXMB-SSDOTTSWSA-N 0 1 233.262 2.464 20 0 BEADMN CCC1(N[C@@H](C)c2cc(OC)no2)CC1 ZINC000926511495 646668484 /nfs/dbraw/zinc/66/84/84/646668484.db2.gz IRODZYMKUFOWDN-QMMMGPOBSA-N 0 1 210.277 2.276 20 0 BEADMN CC[C@H](C)[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)OC ZINC000383306197 711543208 /nfs/dbraw/zinc/54/32/08/711543208.db2.gz MRXFOEUXNOAINS-OBPIAQAESA-N 0 1 239.359 2.352 20 0 BEADMN Cn1ncc(CNCCC2CCCCCC2)n1 ZINC000394540789 711689051 /nfs/dbraw/zinc/68/90/51/711689051.db2.gz TWMHODTZIMFSKI-UHFFFAOYSA-N 0 1 236.363 2.265 20 0 BEADMN C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC(C)(C)CO ZINC000930607137 711698825 /nfs/dbraw/zinc/69/88/25/711698825.db2.gz WDBUDBZRPZJCNB-JTQLQIEISA-N 0 1 240.322 2.232 20 0 BEADMN COc1ccc(CNCCOCC2CCC2)o1 ZINC000893617168 711747986 /nfs/dbraw/zinc/74/79/86/711747986.db2.gz PBHALVMQKZQCHI-UHFFFAOYSA-N 0 1 239.315 2.195 20 0 BEADMN Cc1ncc(-c2nc([C@H](N)C(C)C)no2)s1 ZINC000225433615 711756444 /nfs/dbraw/zinc/75/64/44/711756444.db2.gz ABLOECVGKDKOHT-MRVPVSSYSA-N 0 1 238.316 2.157 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccsc2)[C@H](C(=O)[O-])C1 ZINC000167586493 711830105 /nfs/dbraw/zinc/83/01/05/711830105.db2.gz BOUCQWDMBGAVPZ-ONGXEEELSA-N 0 1 239.340 2.433 20 0 BEADMN CSC(C)(C)CC[N@@H+](CC(=O)[O-])C1CC1 ZINC000385880592 711832051 /nfs/dbraw/zinc/83/20/51/711832051.db2.gz XAAVOSAKGZOBNK-UHFFFAOYSA-N 0 1 231.361 2.067 20 0 BEADMN C[C@H]1C[C@H](Nc2nccs2)C[N@H+]1C1CC1 ZINC000229935272 711839847 /nfs/dbraw/zinc/83/98/47/711839847.db2.gz WGNFDWKTMQSXMS-IUCAKERBSA-N 0 1 223.345 2.180 20 0 BEADMN CCc1nnc(CNC[C@]23C[C@H]2CCC3)s1 ZINC000702695497 711871118 /nfs/dbraw/zinc/87/11/18/711871118.db2.gz OTFXRHRHESJHGQ-SKDRFNHKSA-N 0 1 237.372 2.380 20 0 BEADMN CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032596349 711928173 /nfs/dbraw/zinc/92/81/73/711928173.db2.gz BTJNSLVHTZVMTI-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CC1(C)CC(c2nc([C@H]3CCCN3)no2)C1 ZINC000701463315 712023551 /nfs/dbraw/zinc/02/35/51/712023551.db2.gz ULAYNHKWNFEIQP-SECBINFHSA-N 0 1 221.304 2.398 20 0 BEADMN CCC(=O)N[C@@H]1CCCC[N@@H+](C/C=C\Cl)C1 ZINC001034059958 712037364 /nfs/dbraw/zinc/03/73/64/712037364.db2.gz FLTYOCRNTVJAAE-JPVGGKMYSA-N 0 1 244.766 2.120 20 0 BEADMN CCC(=O)N[C@@H]1CCCCN(C/C=C\Cl)C1 ZINC001034059958 712037366 /nfs/dbraw/zinc/03/73/66/712037366.db2.gz FLTYOCRNTVJAAE-JPVGGKMYSA-N 0 1 244.766 2.120 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1cncc(Cl)c1 ZINC000703638728 712081973 /nfs/dbraw/zinc/08/19/73/712081973.db2.gz OOPALEMGYUCCFA-NSHDSACASA-N 0 1 240.734 2.080 20 0 BEADMN CCC(F)(F)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000704749075 712114938 /nfs/dbraw/zinc/11/49/38/712114938.db2.gz UQZYYWNBZQMYMS-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000704749075 712114940 /nfs/dbraw/zinc/11/49/40/712114940.db2.gz UQZYYWNBZQMYMS-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000704749044 712115053 /nfs/dbraw/zinc/11/50/53/712115053.db2.gz UJTNMBNOKLVIIQ-IVZWLZJFSA-N 0 1 247.285 2.217 20 0 BEADMN CC(C)OCCNCc1ccc(Cl)cn1 ZINC000707343340 712168329 /nfs/dbraw/zinc/16/83/29/712168329.db2.gz NSWVMFUWPXHKDS-UHFFFAOYSA-N 0 1 228.723 2.250 20 0 BEADMN Cc1nc(CNC[C@@H]2CC(C)(C)CO2)cs1 ZINC000708340765 712189344 /nfs/dbraw/zinc/18/93/44/712189344.db2.gz GBIQLXASSXUILF-NSHDSACASA-N 0 1 240.372 2.356 20 0 BEADMN C[C@@H](C[N@@H+](C)CC(=O)[O-])CC(C)(C)C ZINC000709075758 712207539 /nfs/dbraw/zinc/20/75/39/712207539.db2.gz LZOIVNAZOWWLAB-SECBINFHSA-N 0 1 201.310 2.075 20 0 BEADMN CC(C)N(CC=C(Cl)Cl)C[C@H](C)O ZINC000709508220 712223307 /nfs/dbraw/zinc/22/33/07/712223307.db2.gz OMLDUAAQKWCIIJ-QMMMGPOBSA-N 0 1 226.147 2.397 20 0 BEADMN COC(=O)[C@H](C)N(C)CC1CCC2(CC2)CC1 ZINC000709950887 712234329 /nfs/dbraw/zinc/23/43/29/712234329.db2.gz FJZSTRXPKZCUAF-NSHDSACASA-N 0 1 239.359 2.450 20 0 BEADMN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1cn(C)cn1 ZINC000710023705 712241584 /nfs/dbraw/zinc/24/15/84/712241584.db2.gz MGXRHIIXYVQTQE-QWRGUYRKSA-N 0 1 237.347 2.028 20 0 BEADMN CC(C)NCc1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000710826770 712257064 /nfs/dbraw/zinc/25/70/64/712257064.db2.gz JCHFVRQDAOAANY-LLVKDONJSA-N 0 1 238.379 2.458 20 0 BEADMN CCc1cnc(CN[C@@H]2COC[C@H]2CC)s1 ZINC000710986497 712271528 /nfs/dbraw/zinc/27/15/28/712271528.db2.gz UXEKEHDAHGJQAQ-MWLCHTKSSA-N 0 1 240.372 2.220 20 0 BEADMN CCc1cnc(CN[C@H]2COC[C@H]2CC)s1 ZINC000710986494 712271814 /nfs/dbraw/zinc/27/18/14/712271814.db2.gz UXEKEHDAHGJQAQ-KOLCDFICSA-N 0 1 240.372 2.220 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000711392846 712297357 /nfs/dbraw/zinc/29/73/57/712297357.db2.gz JZPVLMLONABPBF-UHFFFAOYSA-N 0 1 211.286 2.041 20 0 BEADMN O=C([O-])c1csc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000711422964 712299622 /nfs/dbraw/zinc/29/96/22/712299622.db2.gz QWYWHXFTELWRJW-IUCAKERBSA-N 0 1 237.324 2.288 20 0 BEADMN c1nc(CNC[C@H]2CCC3(CCC3)O2)cs1 ZINC000711454400 712304320 /nfs/dbraw/zinc/30/43/20/712304320.db2.gz CFCIDOLOCLTNQB-LLVKDONJSA-N 0 1 238.356 2.334 20 0 BEADMN CC1(C)C[C@@H]1NCc1nccn1C1CC1 ZINC000711784663 712329923 /nfs/dbraw/zinc/32/99/23/712329923.db2.gz TUUXMQKZOPPPSI-JTQLQIEISA-N 0 1 205.305 2.106 20 0 BEADMN CCOC(C)(C)CNCc1nccn1C1CC1 ZINC000711805280 712332019 /nfs/dbraw/zinc/33/20/19/712332019.db2.gz QLBSHLZETCJTOO-UHFFFAOYSA-N 0 1 237.347 2.123 20 0 BEADMN CCN(Cc1cnc[nH]1)c1cccc(O)c1 ZINC000143512223 712345279 /nfs/dbraw/zinc/34/52/79/712345279.db2.gz QYRKTGWFZGRIOK-UHFFFAOYSA-N 0 1 217.272 2.142 20 0 BEADMN Cc1cc(C(C)C)nc(NC[C@H]2CCN2C)n1 ZINC000712610513 712437465 /nfs/dbraw/zinc/43/74/65/712437465.db2.gz YWZRFLZPLILKFV-LLVKDONJSA-N 0 1 234.347 2.024 20 0 BEADMN CCN1CC[C@@H]1CN[C@@H](C)c1csc(C)n1 ZINC000712574512 712447980 /nfs/dbraw/zinc/44/79/80/712447980.db2.gz WPIYGJQBBAMHHO-GXSJLCMTSA-N 0 1 239.388 2.196 20 0 BEADMN Cc1cc(CNC[C@H]2CCC(C)(C)CO2)on1 ZINC000713609746 712467198 /nfs/dbraw/zinc/46/71/98/712467198.db2.gz JPIOIFRQHUPRDA-LLVKDONJSA-N 0 1 238.331 2.278 20 0 BEADMN C=C/C=C/CC[N@@H+](CC(=O)[O-])CC(C)C ZINC000713705890 712469623 /nfs/dbraw/zinc/46/96/23/712469623.db2.gz ZUTPMMXUIFULTJ-AATRIKPKSA-N 0 1 211.305 2.161 20 0 BEADMN C=C/C=C\CC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000713711098 712469952 /nfs/dbraw/zinc/46/99/52/712469952.db2.gz LFJXXFMDGYWLMJ-DFPOMNKCSA-N 0 1 223.316 2.161 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])C[C@@H]1CCCC(C)(C)O1 ZINC000714337997 712482982 /nfs/dbraw/zinc/48/29/82/712482982.db2.gz IXMDHNSADZXSKK-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CC[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@@H](C)C(=O)[O-] ZINC000714371663 712484738 /nfs/dbraw/zinc/48/47/38/712484738.db2.gz JLFVTQXAHBIBMZ-WDEREUQCSA-N 0 1 243.347 2.129 20 0 BEADMN CCCn1cc([C@@H](C)NCC[C@@H](C)F)nn1 ZINC000715881283 712539080 /nfs/dbraw/zinc/53/90/80/712539080.db2.gz JDGYJICWXQCLCR-NXEZZACHSA-N 0 1 228.315 2.087 20 0 BEADMN CCN(CCF)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854465 712587049 /nfs/dbraw/zinc/58/70/49/712587049.db2.gz XVTDOTDLISIFCD-DGCLKSJQSA-N 0 1 225.307 2.400 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)CC[S@](C)=O ZINC000827477863 712593345 /nfs/dbraw/zinc/59/33/45/712593345.db2.gz IKIGBTQACBEUJN-LRDDRELGSA-N 0 1 239.384 2.366 20 0 BEADMN COC(=O)[C@]1(F)CCN(CCCC2CCC2)C1 ZINC000851794475 712612422 /nfs/dbraw/zinc/61/24/22/712612422.db2.gz ACMBFYZHDDZKJN-ZDUSSCGKSA-N 0 1 243.322 2.154 20 0 BEADMN CC[C@H](CNCc1nc(C)c(C)s1)OC ZINC000379843182 712616508 /nfs/dbraw/zinc/61/65/08/712616508.db2.gz HDAZUBUUJRKPPS-SNVBAGLBSA-N 0 1 228.361 2.275 20 0 BEADMN CC1(C)CO[C@@H](CNCc2cscn2)C1 ZINC000717395973 712654053 /nfs/dbraw/zinc/65/40/53/712654053.db2.gz OJDARGWVGSXLIB-SNVBAGLBSA-N 0 1 226.345 2.048 20 0 BEADMN CCc1cc(CNCc2ccc(C)o2)[nH]n1 ZINC000074373189 712711595 /nfs/dbraw/zinc/71/15/95/712711595.db2.gz KROKAONRECKLFU-UHFFFAOYSA-N 0 1 219.288 2.163 20 0 BEADMN CCC(CC)C[N@@H+]1CCC[C@H]1c1nnc[n-]1 ZINC000931142422 712713444 /nfs/dbraw/zinc/71/34/44/712713444.db2.gz MXYLLFGMQNJBFB-NSHDSACASA-N 0 1 222.336 2.378 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@H]1c1nnc[n-]1 ZINC000931142422 712713445 /nfs/dbraw/zinc/71/34/45/712713445.db2.gz MXYLLFGMQNJBFB-NSHDSACASA-N 0 1 222.336 2.378 20 0 BEADMN Fc1ccc(CN[C@]23C[C@H]2COC3)c(Cl)c1 ZINC000718095288 712742433 /nfs/dbraw/zinc/74/24/33/712742433.db2.gz YUJHLORECHDYKC-CABZTGNLSA-N 0 1 241.693 2.358 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C[C@H]1CCSC1 ZINC000718364688 712757016 /nfs/dbraw/zinc/75/70/16/712757016.db2.gz YZNZXQKICNXFPE-MNOVXSKESA-N 0 1 245.388 2.171 20 0 BEADMN CO[C@@H]1CCC[C@H](NCC(F)F)CC1 ZINC000718815765 712783902 /nfs/dbraw/zinc/78/39/02/712783902.db2.gz VCSCCGGBOGGLIA-DTWKUNHWSA-N 0 1 207.264 2.189 20 0 BEADMN Cc1conc1CN1CCCC[C@H]1C[C@H](C)O ZINC000720363006 712835547 /nfs/dbraw/zinc/83/55/47/712835547.db2.gz JDVPTXVBFGFZNK-RYUDHWBXSA-N 0 1 238.331 2.108 20 0 BEADMN CC1(NCc2ccns2)CC(F)(F)C1 ZINC000720950338 712881731 /nfs/dbraw/zinc/88/17/31/712881731.db2.gz YBFUXHKONOSOML-UHFFFAOYSA-N 0 1 218.272 2.421 20 0 BEADMN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC000380359059 712897306 /nfs/dbraw/zinc/89/73/06/712897306.db2.gz ZZVFKLDIUPCPFD-AOOOYVTPSA-N 0 1 236.246 2.186 20 0 BEADMN O=C(NC[C@H]1CCN1CC1=CCCCC1)C1CC1 ZINC001037994037 712897362 /nfs/dbraw/zinc/89/73/62/712897362.db2.gz NJZXKQPULQFKGO-CQSZACIVSA-N 0 1 248.370 2.087 20 0 BEADMN Cc1cc(CNC2COC(C)(C)OC2)cs1 ZINC000381359517 710626772 /nfs/dbraw/zinc/62/67/72/710626772.db2.gz GXOSSMWIILFGJP-UHFFFAOYSA-N 0 1 241.356 2.298 20 0 BEADMN Cc1cc(CNCc2cc(C)oc2C)[nH]n1 ZINC000381404455 710632964 /nfs/dbraw/zinc/63/29/64/710632964.db2.gz SBDZSEUBEPFTNM-UHFFFAOYSA-N 0 1 219.288 2.218 20 0 BEADMN CS/C=C\c1nc([C@H](N)CC(C)C)no1 ZINC000381488153 710645170 /nfs/dbraw/zinc/64/51/70/710645170.db2.gz WEBDWYLQHBYSAN-PULIVWKDSA-N 0 1 227.333 2.449 20 0 BEADMN CN(C)Cc1ccc(NC2CSC2)cc1F ZINC000381488197 710644642 /nfs/dbraw/zinc/64/46/42/710644642.db2.gz WFXOFOFZZTXIRF-UHFFFAOYSA-N 0 1 240.347 2.415 20 0 BEADMN C[C@H](CSC(C)(C)C)NCc1ccn(C)n1 ZINC000381518202 710649970 /nfs/dbraw/zinc/64/99/70/710649970.db2.gz SWBHTOCZUXJHSV-SNVBAGLBSA-N 0 1 241.404 2.430 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000723078120 710724834 /nfs/dbraw/zinc/72/48/34/710724834.db2.gz MRVDKONCRQEKEL-MDZLAQPJSA-N 0 1 225.332 2.219 20 0 BEADMN O=C([O-])CCC[N@@H+](Cc1ccoc1)C1CC1 ZINC000723722452 710730941 /nfs/dbraw/zinc/73/09/41/710730941.db2.gz OOBIWSRTUAOQKP-UHFFFAOYSA-N 0 1 223.272 2.109 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@H]1C ZINC000380558523 712901529 /nfs/dbraw/zinc/90/15/29/712901529.db2.gz RKLDZVXTFYBAHZ-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)CN1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044215522 710821208 /nfs/dbraw/zinc/82/12/08/710821208.db2.gz BBKFFXYUMNCVLN-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)C1(O)CN(C[C@@H](C)c2ccccc2)C1 ZINC000384329405 710880461 /nfs/dbraw/zinc/88/04/61/710880461.db2.gz TXEZWLIWQBZTAY-CYBMUJFWSA-N 0 1 233.355 2.493 20 0 BEADMN CCOC(=O)/C=C/CN1CCC(C)=C(C)C1 ZINC000382524419 710945628 /nfs/dbraw/zinc/94/56/28/710945628.db2.gz DCXXAVNUTDFIFR-AATRIKPKSA-N 0 1 223.316 2.148 20 0 BEADMN CC1=CCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000382477443 710971226 /nfs/dbraw/zinc/97/12/26/710971226.db2.gz KBEGAJCUFNTYDQ-UHFFFAOYSA-N 0 1 211.305 2.139 20 0 BEADMN C/C=C/CNCc1c(Cl)c(C)nn1C ZINC000384914837 710999393 /nfs/dbraw/zinc/99/93/93/710999393.db2.gz YYOYBWJRZFSDJM-SNAWJCMRSA-N 0 1 213.712 2.048 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@H]1C ZINC000380623109 712902008 /nfs/dbraw/zinc/90/20/08/712902008.db2.gz GVYFELSFKUPSDN-UWVGGRQHSA-N 0 1 234.299 2.010 20 0 BEADMN FC1(F)CCC[C@@H]1NC[C@H]1CCCOC1 ZINC000389933294 711098267 /nfs/dbraw/zinc/09/82/67/711098267.db2.gz LVXWXOBJJALVOA-ZJUUUORDSA-N 0 1 219.275 2.190 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2=CCCC2)n1 ZINC000390359674 711113983 /nfs/dbraw/zinc/11/39/83/711113983.db2.gz RKOHPSQHDOUSMD-SECBINFHSA-N 0 1 207.277 2.293 20 0 BEADMN C[C@H](CCC(C)(C)C)NCc1cnn(C)n1 ZINC000390522910 711123045 /nfs/dbraw/zinc/12/30/45/711123045.db2.gz FWCAQPIHZHCANG-SNVBAGLBSA-N 0 1 224.352 2.120 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000390564077 711125114 /nfs/dbraw/zinc/12/51/14/711125114.db2.gz LCRWJQOCXYUYQR-LBPRGKRZSA-N 0 1 239.340 2.353 20 0 BEADMN N#Cc1ccc(CNCc2cccs2)nc1 ZINC000390750958 711132230 /nfs/dbraw/zinc/13/22/30/711132230.db2.gz CPZOPUAPTPXQOF-UHFFFAOYSA-N 0 1 229.308 2.305 20 0 BEADMN CSC1(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)CCC1 ZINC000393654329 711168530 /nfs/dbraw/zinc/16/85/30/711168530.db2.gz ZLFWXBPQGUFJKB-LLVKDONJSA-N 0 1 243.372 2.069 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394503592 711193972 /nfs/dbraw/zinc/19/39/72/711193972.db2.gz HPRXHFCQBHGRGD-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1cnc(C[N@H+](CCC(=O)[O-])C(C)C)s1 ZINC000394710167 711196321 /nfs/dbraw/zinc/19/63/21/711196321.db2.gz RZYBJJUTDARRGR-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CCCC1CC1 ZINC000394670289 711196500 /nfs/dbraw/zinc/19/65/00/711196500.db2.gz RZMSVNHXYFCREG-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1ncc(C)s1 ZINC000394724752 711196689 /nfs/dbraw/zinc/19/66/89/711196689.db2.gz IGFSUMLYMVLRGQ-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1ncc(C)s1 ZINC000394724761 711196897 /nfs/dbraw/zinc/19/68/97/711196897.db2.gz IGFSUMLYMVLRGQ-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H]1CCCC[C@@H]1C[N@@H+](CC(=O)[O-])C1CC1 ZINC000394793730 711197519 /nfs/dbraw/zinc/19/75/19/711197519.db2.gz OMMUYPPBTAEWDP-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)(C)[C@H](Cn1ccnc1)NCc1cocn1 ZINC000395197602 711205238 /nfs/dbraw/zinc/20/52/38/711205238.db2.gz TZHKCNUNYXDZLJ-LBPRGKRZSA-N 0 1 248.330 2.076 20 0 BEADMN CSC(C)(C)CC[N@@H+](CCC(=O)[O-])C1CC1 ZINC000395302457 711207243 /nfs/dbraw/zinc/20/72/43/711207243.db2.gz BCNJSHPJIRRWTE-UHFFFAOYSA-N 0 1 245.388 2.457 20 0 BEADMN Cc1nc(CNC[C@H]2CC[C@H](C)O2)sc1C ZINC000398129594 711402445 /nfs/dbraw/zinc/40/24/45/711402445.db2.gz DQVLZVZCVPJFKB-GZMMTYOYSA-N 0 1 240.372 2.417 20 0 BEADMN C[C@@H](NCCc1cccs1)c1csnn1 ZINC000398241893 711405627 /nfs/dbraw/zinc/40/56/27/711405627.db2.gz PLWFMNSWYNYZOK-MRVPVSSYSA-N 0 1 239.369 2.493 20 0 BEADMN CC(C)C[N@@H+](CCC1CCC1)CC(=O)[O-] ZINC000398788820 711415587 /nfs/dbraw/zinc/41/55/87/711415587.db2.gz OWZNCXHWGHBPTN-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1nnc(CNCCC2CCC2)s1 ZINC000398802377 711416396 /nfs/dbraw/zinc/41/63/96/711416396.db2.gz MTIPOEZBGVVJMS-UHFFFAOYSA-N 0 1 211.334 2.126 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(C(=O)[O-])n1 ZINC000399518603 711430893 /nfs/dbraw/zinc/43/08/93/711430893.db2.gz JDXWEMDIQBCQTE-CMPLNLGQSA-N 0 1 248.326 2.400 20 0 BEADMN CCCCOC(=O)CN1C[C@H](C)C[C@H]1CC ZINC000399497634 711431107 /nfs/dbraw/zinc/43/11/07/711431107.db2.gz BXYWRHAXADYUFJ-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000399301739 711426951 /nfs/dbraw/zinc/42/69/51/711426951.db2.gz NIKPXSMNZZHVMY-CQSZACIVSA-N 0 1 248.326 2.402 20 0 BEADMN C[N@@H+](CCC(=O)[O-])C[C@H]1CC2CCC1CC2 ZINC000399961518 711437786 /nfs/dbraw/zinc/43/77/86/711437786.db2.gz BLHWDQIDDVCXSV-HTAVTVPLSA-N 0 1 225.332 2.219 20 0 BEADMN CC(C)SCC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000380875669 710593662 /nfs/dbraw/zinc/59/36/62/710593662.db2.gz PNPAKSBUQINZGL-QWRGUYRKSA-N 0 1 245.388 2.313 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cscn2)n[nH]1 ZINC000381197152 710608487 /nfs/dbraw/zinc/60/84/87/710608487.db2.gz BJFISDBHMLKZNZ-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CSC1(CN[C@@H](C)c2nnc(C)[nH]2)CCC1 ZINC000392345230 711144595 /nfs/dbraw/zinc/14/45/95/711144595.db2.gz FFWMREHSMPKOPF-QMMMGPOBSA-N 0 1 240.376 2.049 20 0 BEADMN C[N@@H+](Cc1cccc(C(=O)[O-])n1)C(C)(C)C ZINC000394336744 711190160 /nfs/dbraw/zinc/19/01/60/711190160.db2.gz YAUHPXOIFQIPGT-UHFFFAOYSA-N 0 1 222.288 2.010 20 0 BEADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCCC1CC1 ZINC000397498830 711384039 /nfs/dbraw/zinc/38/40/39/711384039.db2.gz PVHLEWHHEGJEDU-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000723126413 711506606 /nfs/dbraw/zinc/50/66/06/711506606.db2.gz OCYGLNRBQOBSOX-WHOHXGKFSA-N 0 1 225.332 2.218 20 0 BEADMN C[C@@H](NCCF)c1ccnc(Cl)c1 ZINC000308320975 711521980 /nfs/dbraw/zinc/52/19/80/711521980.db2.gz BCHCHGIZTSMIEM-SSDOTTSWSA-N 0 1 202.660 2.355 20 0 BEADMN CC(=O)[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000723624363 711526857 /nfs/dbraw/zinc/52/68/57/711526857.db2.gz RNHKRPBDEJEJLZ-LBPRGKRZSA-N 0 1 236.315 2.092 20 0 BEADMN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H](O)c1ccccc1 ZINC000290494042 711531636 /nfs/dbraw/zinc/53/16/36/711531636.db2.gz XYFSEOMTBUGXJK-MDZLAQPJSA-N 0 1 245.326 2.182 20 0 BEADMN CC[C@H](NCc1ncc(C)o1)[C@@H]1CCCOC1 ZINC000724006048 711554609 /nfs/dbraw/zinc/55/46/09/711554609.db2.gz JEYLJOCYUUSLDL-NEPJUHHUSA-N 0 1 238.331 2.278 20 0 BEADMN Cc1[nH+]c(NC2CC=CC2)ccc1C(=O)[O-] ZINC000133140942 711558755 /nfs/dbraw/zinc/55/87/55/711558755.db2.gz DLMCFUOZCOPSOW-UHFFFAOYSA-N 0 1 218.256 2.219 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(Cl)nc1 ZINC000724123307 711562221 /nfs/dbraw/zinc/56/22/21/711562221.db2.gz WKMCWULVLZVUGV-QWRGUYRKSA-N 0 1 240.734 2.344 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H](C(F)F)C2)[nH]1 ZINC000724778393 711613085 /nfs/dbraw/zinc/61/30/85/711613085.db2.gz XNJQSLVDLITSSK-VIFPVBQESA-N 0 1 229.274 2.114 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cncc(C(=O)[O-])c1 ZINC000721549125 711622785 /nfs/dbraw/zinc/62/27/85/711622785.db2.gz ZCPSEOHYMDPFIP-WDEREUQCSA-N 0 1 248.326 2.400 20 0 BEADMN Cc1nonc1[C@H](C)NC[C@H]1CCCC1(F)F ZINC000926524234 711624828 /nfs/dbraw/zinc/62/48/28/711624828.db2.gz MEMGVSGXWHPIRR-IONNQARKSA-N 0 1 245.273 2.464 20 0 BEADMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1cn(C)cn1 ZINC000926548763 711636350 /nfs/dbraw/zinc/63/63/50/711636350.db2.gz IBZQOEMGPCUTPL-DMDPSCGWSA-N 0 1 237.347 2.028 20 0 BEADMN CCc1ncc(CN(C)C(C)(C)COC)o1 ZINC000930554026 711696710 /nfs/dbraw/zinc/69/67/10/711696710.db2.gz FHVZPQWCNBURKM-UHFFFAOYSA-N 0 1 226.320 2.094 20 0 BEADMN CCc1nn(C)cc1N[C@H]1CCCc2[nH]ncc21 ZINC000334321244 711715258 /nfs/dbraw/zinc/71/52/58/711715258.db2.gz WTMBJBWAWYSNHE-NSHDSACASA-N 0 1 245.330 2.195 20 0 BEADMN c1csc(CNC[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000722313814 711734338 /nfs/dbraw/zinc/73/43/38/711734338.db2.gz SOURXHLTTNHUIV-GHMZBOCLSA-N 0 1 238.356 2.190 20 0 BEADMN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1cnccn1 ZINC000722315183 711734672 /nfs/dbraw/zinc/73/46/72/711734672.db2.gz POXJBBZTTOHAEI-SUHUHFCYSA-N 0 1 247.342 2.085 20 0 BEADMN CC(C)=CCN1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001038155158 711753698 /nfs/dbraw/zinc/75/36/98/711753698.db2.gz XQGBKPBYSGCFRL-AWEZNQCLSA-N 0 1 248.370 2.253 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000399995768 711767762 /nfs/dbraw/zinc/76/77/62/711767762.db2.gz KORJVXXYGGFAQI-IKWCTNDRSA-N 0 1 239.359 2.465 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](COC)C(C)C ZINC000721865004 711792130 /nfs/dbraw/zinc/79/21/30/711792130.db2.gz AUCPBPYKTXIIJZ-VXGBXAGGSA-N 0 1 245.363 2.090 20 0 BEADMN CC(C)=CCN1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001038121861 711803372 /nfs/dbraw/zinc/80/33/72/711803372.db2.gz DKNGULCHVSCAMD-CQSZACIVSA-N 0 1 248.370 2.109 20 0 BEADMN Cn1cc(C(C)(C)NCc2ccoc2)cn1 ZINC000164739058 711825161 /nfs/dbraw/zinc/82/51/61/711825161.db2.gz FFAWGEVUOVUXLL-UHFFFAOYSA-N 0 1 219.288 2.038 20 0 BEADMN C[C@H]1CN(C(=O)C2CCCCCCC2)CCN1 ZINC000088059258 711841160 /nfs/dbraw/zinc/84/11/60/711841160.db2.gz CXKCCKCCHVAWPL-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN C/C(=C\C[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000088630386 711844410 /nfs/dbraw/zinc/84/44/10/711844410.db2.gz BSUBVRFHEFEDOU-IZZDOVSWSA-N 0 1 231.295 2.076 20 0 BEADMN Cc1cnc(CNC[C@]23C[C@H]2CCC3)o1 ZINC000700409262 711846222 /nfs/dbraw/zinc/84/62/22/711846222.db2.gz ZKPWXYMGJCIJCP-PWSUYJOCSA-N 0 1 206.289 2.263 20 0 BEADMN Cc1nnc(CNC[C@@]2(C)CC2(C)C)s1 ZINC000705252489 711900089 /nfs/dbraw/zinc/90/00/89/711900089.db2.gz LLUCIYAJEKVCFV-LLVKDONJSA-N 0 1 225.361 2.372 20 0 BEADMN COCC1(NCc2nccc3c2CCCC3)CC1 ZINC000921857763 711947152 /nfs/dbraw/zinc/94/71/52/711947152.db2.gz VQSOOTZXRAPZJW-UHFFFAOYSA-N 0 1 246.354 2.229 20 0 BEADMN C[C@H]1C[N@H+](CCC(C)(C)C(=O)[O-])CC[C@@H]1C ZINC000132174116 711955797 /nfs/dbraw/zinc/95/57/97/711955797.db2.gz KCNNLPJGYMFDGF-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN COc1cncc(CNCc2cnccc2C)c1 ZINC000700049435 711985105 /nfs/dbraw/zinc/98/51/05/711985105.db2.gz BRCAPNKSBFPTBM-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN C[C@@H]1CCN(CC=C(Cl)Cl)C[C@H]1CO ZINC000700390380 711991171 /nfs/dbraw/zinc/99/11/71/711991171.db2.gz KDMHROVUGJJZED-BDAKNGLRSA-N 0 1 238.158 2.256 20 0 BEADMN C[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1CO ZINC000700390389 711991523 /nfs/dbraw/zinc/99/15/23/711991523.db2.gz KDMHROVUGJJZED-IUCAKERBSA-N 0 1 238.158 2.256 20 0 BEADMN CC1(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCC1 ZINC000701452769 712023511 /nfs/dbraw/zinc/02/35/11/712023511.db2.gz LILHZVOPWWCFKZ-FZMZJTMJSA-N 0 1 237.343 2.363 20 0 BEADMN Cc1nonc1CNC1(CC(C)C)CC1 ZINC000701499547 712024890 /nfs/dbraw/zinc/02/48/90/712024890.db2.gz NSLMVJUIWJUZRW-UHFFFAOYSA-N 0 1 209.293 2.046 20 0 BEADMN COc1cccc(NCc2cn[nH]c2C)c1F ZINC000701697013 712028054 /nfs/dbraw/zinc/02/80/54/712028054.db2.gz IJOVXOXCVYTYMT-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN CCc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)o1 ZINC000086778039 712049921 /nfs/dbraw/zinc/04/99/21/712049921.db2.gz IHLLQYNMIRRPPQ-UHFFFAOYSA-N 0 1 239.315 2.385 20 0 BEADMN CCc1nnc(CNC[C@@H]2C[C@H]2CC)s1 ZINC000702669424 712059260 /nfs/dbraw/zinc/05/92/60/712059260.db2.gz KBSNJWZBQOBXOI-BDAKNGLRSA-N 0 1 225.361 2.236 20 0 BEADMN CCc1nnc(CNCC2CC(C)C2)s1 ZINC000702682903 712059408 /nfs/dbraw/zinc/05/94/08/712059408.db2.gz QRKMAKLDHRTRAT-UHFFFAOYSA-N 0 1 225.361 2.236 20 0 BEADMN COC(=O)/C(C)=C\CN(C)[C@H](C)c1ccncc1 ZINC000383610738 712061882 /nfs/dbraw/zinc/06/18/82/712061882.db2.gz FGXHYESFNYKJCB-SEVUFMINSA-N 0 1 248.326 2.194 20 0 BEADMN C[C@@H](N[C@@H]1CNOC1)c1ccc2c(c1)CCCC2 ZINC000703372218 712073883 /nfs/dbraw/zinc/07/38/83/712073883.db2.gz HLGGDNNQFKCADG-IAQYHMDHSA-N 0 1 246.354 2.119 20 0 BEADMN C/C(=C\C[N@@H+]1CCCC[C@@H](C)C1)C(=O)[O-] ZINC000703659010 712082677 /nfs/dbraw/zinc/08/26/77/712082677.db2.gz OJLBHJYLIZHOBX-VUUNSECVSA-N 0 1 211.305 2.139 20 0 BEADMN COCC1(NCc2ccc(Cl)cn2)CC1 ZINC000703866008 712091624 /nfs/dbraw/zinc/09/16/24/712091624.db2.gz DTMYNXBYQYPANT-UHFFFAOYSA-N 0 1 226.707 2.004 20 0 BEADMN CC1(C)[C@H](O)CCN1Cc1ncccc1Cl ZINC000703868890 712091946 /nfs/dbraw/zinc/09/19/46/712091946.db2.gz NGJZDJZCKNJSTM-LLVKDONJSA-N 0 1 240.734 2.080 20 0 BEADMN Cc1nnc(CNC[C@H]2CCCCS2)s1 ZINC000704686796 712113239 /nfs/dbraw/zinc/11/32/39/712113239.db2.gz WPPTWCZWSJYMBB-SECBINFHSA-N 0 1 243.401 2.222 20 0 BEADMN CCC[C@@H]1C[C@H]1NCc1nnc(C)s1 ZINC000704705335 712113267 /nfs/dbraw/zinc/11/32/67/712113267.db2.gz GHYOMQPILDEMEY-RKDXNWHRSA-N 0 1 211.334 2.125 20 0 BEADMN CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000704749043 712114703 /nfs/dbraw/zinc/11/47/03/712114703.db2.gz UJTNMBNOKLVIIQ-GUBZILKMSA-N 0 1 247.285 2.217 20 0 BEADMN CSCC[C@@H](C)NCc1nnc(C)s1 ZINC000704741520 712114723 /nfs/dbraw/zinc/11/47/23/712114723.db2.gz VYEVESTVQFAQCM-SSDOTTSWSA-N 0 1 231.390 2.078 20 0 BEADMN CC(=O)C1CCN(Cc2ccncc2C)CC1 ZINC000705358076 712128678 /nfs/dbraw/zinc/12/86/78/712128678.db2.gz KFKCESKYOMSYNI-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN c1cnc(CN[C@@H]2CCOC3(CCCC3)C2)nc1 ZINC000705399237 712130772 /nfs/dbraw/zinc/13/07/72/712130772.db2.gz JAIZMKRNADIIPD-GFCCVEGCSA-N 0 1 247.342 2.058 20 0 BEADMN Cc1[nH+]c(N2[C@@H](C)CC[C@@H]2C)ccc1C(=O)[O-] ZINC000706229681 712142661 /nfs/dbraw/zinc/14/26/61/712142661.db2.gz BKRCGSZMHPGVJJ-IUCAKERBSA-N 0 1 234.299 2.465 20 0 BEADMN CSC1CC(NCc2cscn2)C1 ZINC000706944019 712162248 /nfs/dbraw/zinc/16/22/48/712162248.db2.gz FORVBDJLRDXGFD-UHFFFAOYSA-N 0 1 214.359 2.127 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccc(O)cc2)no1 ZINC000707945420 712174124 /nfs/dbraw/zinc/17/41/24/712174124.db2.gz AYUSNZAWTZVVRR-QMMMGPOBSA-N 0 1 233.271 2.113 20 0 BEADMN Cc1conc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000708288893 712185501 /nfs/dbraw/zinc/18/55/01/712185501.db2.gz HEZHLMLMDNFHRP-LLVKDONJSA-N 0 1 238.331 2.419 20 0 BEADMN C[C@@]1(C(F)(F)F)CCN(Cc2cn[nH]c2)C1 ZINC000708616710 712195641 /nfs/dbraw/zinc/19/56/41/712195641.db2.gz DLGDBWXSNIUNNA-SECBINFHSA-N 0 1 233.237 2.184 20 0 BEADMN CCC[C@@H](CN[C@H](C)c1cn(C)cn1)OCC ZINC000709940952 712234200 /nfs/dbraw/zinc/23/42/00/712234200.db2.gz WIAUZSOKZRPQSB-NEPJUHHUSA-N 0 1 239.363 2.276 20 0 BEADMN CCC[C@H](CN[C@H](C)c1cn(C)cn1)OCC ZINC000709940961 712234671 /nfs/dbraw/zinc/23/46/71/712234671.db2.gz WIAUZSOKZRPQSB-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1cn(C)cn1)OCC ZINC000709940955 712234679 /nfs/dbraw/zinc/23/46/79/712234679.db2.gz WIAUZSOKZRPQSB-NWDGAFQWSA-N 0 1 239.363 2.276 20 0 BEADMN CCC(C)(C)OCCN[C@@H](C)c1cn(C)cn1 ZINC000709973530 712235705 /nfs/dbraw/zinc/23/57/05/712235705.db2.gz XIDWJZZWAZIUFA-NSHDSACASA-N 0 1 239.363 2.276 20 0 BEADMN C[C@H](N[C@H]1CCC(F)(F)C1)c1cn(C)cn1 ZINC000709986066 712237043 /nfs/dbraw/zinc/23/70/43/712237043.db2.gz CFRUFQFGMVAQFY-IUCAKERBSA-N 0 1 229.274 2.259 20 0 BEADMN CC[C@H](C)[C@H](CN[C@H](C)c1cn(C)cn1)OC ZINC000710005778 712239540 /nfs/dbraw/zinc/23/95/40/712239540.db2.gz JLRMOXIOCSIKSD-LOWVWBTDSA-N 0 1 239.363 2.132 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1cn(C)cn1 ZINC000710023706 712241367 /nfs/dbraw/zinc/24/13/67/712241367.db2.gz MGXRHIIXYVQTQE-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN C[C@@H](NCCC(F)(F)F)c1cn(C)cn1 ZINC000710032086 712243089 /nfs/dbraw/zinc/24/30/89/712243089.db2.gz QAMBYXJZUXWFIQ-SSDOTTSWSA-N 0 1 221.226 2.023 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@]1(C)C(=O)[O-] ZINC000710155461 712246048 /nfs/dbraw/zinc/24/60/48/712246048.db2.gz WBYKJXJIIGGSRX-BXKDBHETSA-N 0 1 239.340 2.291 20 0 BEADMN CCc1cnc(CN[C@H]2COC[C@@H]2CC)s1 ZINC000710986500 712271581 /nfs/dbraw/zinc/27/15/81/712271581.db2.gz UXEKEHDAHGJQAQ-ONGXEEELSA-N 0 1 240.372 2.220 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1c(F)cccc1F ZINC000711078574 712278666 /nfs/dbraw/zinc/27/86/66/712278666.db2.gz SELLYJOAKUOCGV-UFBFGSQYSA-N 0 1 227.254 2.089 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711393848 712297334 /nfs/dbraw/zinc/29/73/34/712297334.db2.gz NPXPIDJCIQDFMH-QMMMGPOBSA-N 0 1 225.313 2.431 20 0 BEADMN C[N@@H+](Cc1cc(C(=O)[O-])cs1)C1CCC1 ZINC000711406566 712298419 /nfs/dbraw/zinc/29/84/19/712298419.db2.gz INBQDJMQMFETBH-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1cn(C)cn1 ZINC000711424321 712299194 /nfs/dbraw/zinc/29/91/94/712299194.db2.gz SMMJATIODSCRPF-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN Cc1nc(CNC[C@@H]2CCC3(CCC3)O2)[nH]c1C ZINC000711416792 712299243 /nfs/dbraw/zinc/29/92/43/712299243.db2.gz UFKSPIHXESCCKV-LBPRGKRZSA-N 0 1 249.358 2.218 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CCC[C@@H](CF)C1 ZINC000711456500 712304757 /nfs/dbraw/zinc/30/47/57/712304757.db2.gz SUXMWUXAUHSPSJ-NWDGAFQWSA-N 0 1 245.338 2.400 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC[C@H](CF)C1 ZINC000711476730 712304848 /nfs/dbraw/zinc/30/48/48/712304848.db2.gz OAQMFNNOGWWYBF-VXGBXAGGSA-N 0 1 245.338 2.256 20 0 BEADMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC000711663399 712318584 /nfs/dbraw/zinc/31/85/84/712318584.db2.gz LBEMXNBEKYZWLB-JKPUBAGSSA-N 0 1 229.707 2.068 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000711663190 712318729 /nfs/dbraw/zinc/31/87/29/712318729.db2.gz KNGVDPQZEPHIJJ-GMXVVIOVSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)CC[C@@H](CNCc2nccn2C2CC2)O1 ZINC000711740092 712321479 /nfs/dbraw/zinc/32/14/79/712321479.db2.gz SQLKRISOZAMMTJ-LBPRGKRZSA-N 0 1 249.358 2.265 20 0 BEADMN c1cn(C2CC2)c(CNC[C@@H]2CCCS2)n1 ZINC000711745480 712322902 /nfs/dbraw/zinc/32/29/02/712322902.db2.gz ICOWKRDGROYJIH-NSHDSACASA-N 0 1 237.372 2.203 20 0 BEADMN CO[C@H]1C[C@H](NCc2nccn2C2CC2)C1(C)C ZINC000711751177 712324115 /nfs/dbraw/zinc/32/41/15/712324115.db2.gz HUOMUNUIMHKCQK-RYUDHWBXSA-N 0 1 249.358 2.121 20 0 BEADMN C[C@]1(CNCc2nccn2C2CC2)CC1(F)F ZINC000711749801 712324156 /nfs/dbraw/zinc/32/41/56/712324156.db2.gz BLPJKUWRQUHYJQ-LLVKDONJSA-N 0 1 241.285 2.353 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nccn2C2CC2)C1(C)C ZINC000711751180 712324269 /nfs/dbraw/zinc/32/42/69/712324269.db2.gz HUOMUNUIMHKCQK-VXGBXAGGSA-N 0 1 249.358 2.121 20 0 BEADMN CC/C=C/CNCc1nccn1C1CC1 ZINC000711756077 712326028 /nfs/dbraw/zinc/32/60/28/712326028.db2.gz LUXVPRQGRHIDAC-ONEGZZNKSA-N 0 1 205.305 2.274 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1nccn1C1CC1 ZINC000711773176 712328796 /nfs/dbraw/zinc/32/87/96/712328796.db2.gz ITFLBNUMHDMXKF-DYNIEEOBSA-N 0 1 249.358 2.120 20 0 BEADMN CCCCOCCNCc1nccn1C1CC1 ZINC000711802506 712331981 /nfs/dbraw/zinc/33/19/81/712331981.db2.gz JGONNQMVJLHKFC-UHFFFAOYSA-N 0 1 237.347 2.124 20 0 BEADMN FC1(F)CC[C@H](NCc2nccn2C2CC2)C1 ZINC000711816432 712332781 /nfs/dbraw/zinc/33/27/81/712332781.db2.gz HDPNXXLOZNDDDD-VIFPVBQESA-N 0 1 241.285 2.495 20 0 BEADMN Cc1ccc(CCNCc2nccn2C2CC2)o1 ZINC000711819270 712333324 /nfs/dbraw/zinc/33/33/24/712333324.db2.gz ZATKLLIAKLHUJF-UHFFFAOYSA-N 0 1 245.326 2.452 20 0 BEADMN Cc1noc(C)c1CNC/C=C\Cl ZINC000379286776 712372472 /nfs/dbraw/zinc/37/24/72/712372472.db2.gz UGWHUGUBKIETBK-ARJAWSKDSA-N 0 1 200.669 2.134 20 0 BEADMN C/C(=C/Cl)CSCc1n[nH]c(C)n1 ZINC000379414159 712383635 /nfs/dbraw/zinc/38/36/35/712383635.db2.gz NKZUUWAAZFXSAK-UTCJRWHESA-N 0 1 217.725 2.489 20 0 BEADMN FC(F)C1CC(NCc2nccs2)C1 ZINC000379623965 712390484 /nfs/dbraw/zinc/39/04/84/712390484.db2.gz IJMPGHSUOJJBKE-UHFFFAOYSA-N 0 1 218.272 2.276 20 0 BEADMN C=C/C=C\CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000713493205 712462474 /nfs/dbraw/zinc/46/24/74/712462474.db2.gz PHLJJJXYIHKUFB-ARJAWSKDSA-N 0 1 245.326 2.151 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000713705885 712469323 /nfs/dbraw/zinc/46/93/23/712469323.db2.gz ZUPGDHAFUNCKJK-PGLGOXFNSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000713705881 712469663 /nfs/dbraw/zinc/46/96/63/712469663.db2.gz ZUPGDHAFUNCKJK-BYCRGOAPSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000713711107 712469848 /nfs/dbraw/zinc/46/98/48/712469848.db2.gz LKOZFRZDJVCQKR-AAOUONPWSA-N 0 1 223.316 2.448 20 0 BEADMN C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000713716901 712470063 /nfs/dbraw/zinc/47/00/63/712470063.db2.gz MKCFQJHWMGZNTB-QDQAJNKBSA-N 0 1 235.327 2.305 20 0 BEADMN C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000713771376 712472369 /nfs/dbraw/zinc/47/23/69/712472369.db2.gz QUXUDIJFBSFYFL-VHSXEESVSA-N 0 1 247.342 2.207 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000713770882 712472432 /nfs/dbraw/zinc/47/24/32/712472432.db2.gz QUXUDIJFBSFYFL-NXEZZACHSA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@@H](Sc1nc(C2CC2)n[nH]1)C(C)=O ZINC000714115230 712478237 /nfs/dbraw/zinc/47/82/37/712478237.db2.gz IUEVZBRRZPLCIV-MRVPVSSYSA-N 0 1 225.317 2.142 20 0 BEADMN CC[C@@H](Sc1n[nH]c(C2CC2)n1)C(C)=O ZINC000714115230 712478238 /nfs/dbraw/zinc/47/82/38/712478238.db2.gz IUEVZBRRZPLCIV-MRVPVSSYSA-N 0 1 225.317 2.142 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000036785903 712495307 /nfs/dbraw/zinc/49/53/07/712495307.db2.gz NZVPDMAFAFCTAN-MRVPVSSYSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000715443304 712519269 /nfs/dbraw/zinc/51/92/69/712519269.db2.gz BJEYMYWTQYOPTP-NDMJEZRESA-N 0 1 237.343 2.360 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715447004 712519302 /nfs/dbraw/zinc/51/93/02/712519302.db2.gz PNVBVZMUEJCOOF-DYEKYZERSA-N 0 1 237.343 2.362 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715441419 712519310 /nfs/dbraw/zinc/51/93/10/712519310.db2.gz PNVBVZMUEJCOOF-MBNYWOFBSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1cnc(CNCC[C@@H]2CCCS2)o1 ZINC000715802865 712533580 /nfs/dbraw/zinc/53/35/80/712533580.db2.gz UNTIDTTYABATAG-JTQLQIEISA-N 0 1 226.345 2.358 20 0 BEADMN C[C@H](NCC(C)(C)C(C)(F)F)c1cn(C)nn1 ZINC000715924899 712543326 /nfs/dbraw/zinc/54/33/26/712543326.db2.gz YSDGBPJYDZQOJF-QMMMGPOBSA-N 0 1 246.305 2.147 20 0 BEADMN NCc1ccc(C(=O)NCCCCC2CC2)o1 ZINC000716360150 712556611 /nfs/dbraw/zinc/55/66/11/712556611.db2.gz KAIRVBNVKOWDDH-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN N[C@H](C(=O)NCCCCC1CC1)c1ccccc1 ZINC000716371240 712557006 /nfs/dbraw/zinc/55/70/06/712557006.db2.gz NCOZAWQREVYNGH-AWEZNQCLSA-N 0 1 246.354 2.383 20 0 BEADMN Cc1[nH]nc(CNc2ncccc2C)c1C ZINC000716446792 712561412 /nfs/dbraw/zinc/56/14/12/712561412.db2.gz LVHUMBZDOSDXPH-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN COc1cccnc1NCc1n[nH]c(C)c1C ZINC000716450328 712561957 /nfs/dbraw/zinc/56/19/57/712561957.db2.gz HAKWUCVVKKDVLV-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000716453125 712562019 /nfs/dbraw/zinc/56/20/19/712562019.db2.gz UAOAMKKWXNPCDA-DAWVFNFOSA-N 0 1 235.331 2.485 20 0 BEADMN Cc1n[nH]c(CN[C@@H](C)c2cccnc2)c1C ZINC000716454356 712562118 /nfs/dbraw/zinc/56/21/18/712562118.db2.gz CTDFJMHZRHPHDI-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1ncnc2[nH]cnc21 ZINC000716613818 712567569 /nfs/dbraw/zinc/56/75/69/712567569.db2.gz OBSGECBQHFKMDI-DOLQZWNJSA-N 0 1 243.314 2.009 20 0 BEADMN Cc1nnc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)s1 ZINC000716637323 712568639 /nfs/dbraw/zinc/56/86/39/712568639.db2.gz LIJQPGGXNBFEMT-BBHBSTQDSA-N 0 1 237.372 2.228 20 0 BEADMN Cc1nonc1CN[C@H](C)CC1CCC1 ZINC000379878310 712620014 /nfs/dbraw/zinc/62/00/14/712620014.db2.gz BDXOMLSWEYNHIW-MRVPVSSYSA-N 0 1 209.293 2.046 20 0 BEADMN c1cc(CNCC[C@@H]2CCC3(CCC3)O2)no1 ZINC000717066407 712627069 /nfs/dbraw/zinc/62/70/69/712627069.db2.gz KOHOFMDHSIDWNC-LBPRGKRZSA-N 0 1 236.315 2.256 20 0 BEADMN CSC1(C[N@@H+](CCC(=O)[O-])CC2CC2)CC1 ZINC000717225574 712640320 /nfs/dbraw/zinc/64/03/20/712640320.db2.gz FEXBGPTXBOVVLT-UHFFFAOYSA-N 0 1 243.372 2.069 20 0 BEADMN C[C@@H]1C[C@H](NC[C@H]2CC(C)(C)CO2)c2nccn21 ZINC000717588486 712661535 /nfs/dbraw/zinc/66/15/35/712661535.db2.gz JVAIHKXSPOURDN-UTUOFQBUSA-N 0 1 249.358 2.294 20 0 BEADMN Cc1cnc(CNC2(C3CC3)CCC2)nc1 ZINC000717834925 712686490 /nfs/dbraw/zinc/68/64/90/712686490.db2.gz GXEKXVPBMYRRJI-UHFFFAOYSA-N 0 1 217.316 2.207 20 0 BEADMN Cc1cc(CNC2(C3CC3)CCC2)no1 ZINC000717902632 712732294 /nfs/dbraw/zinc/73/22/94/712732294.db2.gz AWRNJCLWLNZUPP-UHFFFAOYSA-N 0 1 206.289 2.405 20 0 BEADMN Cc1coc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000718059300 712740262 /nfs/dbraw/zinc/74/02/62/712740262.db2.gz SONJMROZARZHON-WCQYABFASA-N 0 1 221.300 2.245 20 0 BEADMN Cc1coc(CNCC2SCCS2)c1 ZINC000718068994 712740670 /nfs/dbraw/zinc/74/06/70/712740670.db2.gz XYRCCVMWBUAREI-UHFFFAOYSA-N 0 1 229.370 2.484 20 0 BEADMN Cc1coc(CNCCOC(C)(C)C)c1 ZINC000718107438 712743336 /nfs/dbraw/zinc/74/33/36/712743336.db2.gz GVYZZZQYKLDVDG-UHFFFAOYSA-N 0 1 211.305 2.493 20 0 BEADMN CCc1cc(NC2CC(CC(=O)[O-])C2)nc(C)[nH+]1 ZINC000718129771 712746583 /nfs/dbraw/zinc/74/65/83/712746583.db2.gz RCDQXPSRHZOPMX-UHFFFAOYSA-N 0 1 249.314 2.013 20 0 BEADMN Cc1coc(-c2nc([C@@H](N)C(C)C)no2)c1 ZINC000718450260 712762603 /nfs/dbraw/zinc/76/26/03/712762603.db2.gz PXNQUVAZVNATBW-VIFPVBQESA-N 0 1 221.260 2.294 20 0 BEADMN C[C@H](NC[C@@H](O)c1ccco1)c1ccco1 ZINC000037890587 712781635 /nfs/dbraw/zinc/78/16/35/712781635.db2.gz YFZGWBCFXPOXTE-VHSXEESVSA-N 0 1 221.256 2.257 20 0 BEADMN CO[C@@H]1C[C@H](NCc2nocc2C)C12CCC2 ZINC000720369834 712836242 /nfs/dbraw/zinc/83/62/42/712836242.db2.gz OQOHMLNDFBSMSV-NWDGAFQWSA-N 0 1 236.315 2.030 20 0 BEADMN CC(=O)NC[C@@H]1CCN1Cc1ccc(C)cc1C ZINC001037979225 712894918 /nfs/dbraw/zinc/89/49/18/712894918.db2.gz AQPJOBZMUKXQEZ-HNNXBMFYSA-N 0 1 246.354 2.014 20 0 BEADMN CCO[C@@H]1CCC[C@H](NCc2cocn2)C1 ZINC000721191068 712896489 /nfs/dbraw/zinc/89/64/89/712896489.db2.gz AGHPECQGQKGOQT-CMPLNLGQSA-N 0 1 224.304 2.112 20 0 BEADMN CC(C)c1cncnc1N1C[C@@H](C)N(C)C[C@H]1C ZINC001164635957 719199132 /nfs/dbraw/zinc/19/91/32/719199132.db2.gz MCQFUMOWZTWIIW-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN C[C@@H]1C[C@@H](CN2CCC(=O)C[C@@H]2C)C[C@H](C)O1 ZINC000724481258 957194494 /nfs/dbraw/zinc/19/44/94/957194494.db2.gz TVJIQDKSLYMUTC-RVMXOQNASA-N 0 1 239.359 2.243 20 0 BEADMN Cc1cnc(N2C[C@H](C)N(C)C[C@@H]2C)c(F)c1 ZINC001164632147 719152134 /nfs/dbraw/zinc/15/21/34/719152134.db2.gz PPJOVYRKJBDSAP-QWRGUYRKSA-N 0 1 237.322 2.058 20 0 BEADMN CCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043683 957336646 /nfs/dbraw/zinc/33/66/46/957336646.db2.gz GZPHTNZVFGFGJW-UHFFFAOYSA-N 0 1 236.300 2.272 20 0 BEADMN C[C@H]1CCC[C@@H]1Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000070835377 957698278 /nfs/dbraw/zinc/69/82/78/957698278.db2.gz GIIGRCCGQMFLOO-WPRPVWTQSA-N 0 1 220.272 2.380 20 0 BEADMN CCc1[nH+]ccn1Cc1ccsc1C(=O)[O-] ZINC000082501566 957791971 /nfs/dbraw/zinc/79/19/71/957791971.db2.gz RODDBUFOSDRNJI-UHFFFAOYSA-N 0 1 236.296 2.254 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000082604741 957796915 /nfs/dbraw/zinc/79/69/15/957796915.db2.gz LWGQPLVCGIGDSH-PCYYEKQGSA-N 0 1 213.321 2.384 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000083410845 957823848 /nfs/dbraw/zinc/82/38/48/957823848.db2.gz UKZJIQKLRDBBRA-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN C=C(N=c1[nH]onc1C)c1ccccc1 ZINC001210982473 957960533 /nfs/dbraw/zinc/96/05/33/957960533.db2.gz MTUHPKYKQWBAQD-UHFFFAOYSA-N 0 1 201.229 2.461 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000086270119 957966731 /nfs/dbraw/zinc/96/67/31/957966731.db2.gz GTOLSLVGJYJFKD-ONGXEEELSA-N 0 1 213.321 2.218 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@@H+](C)CCc1cccs1 ZINC000086441132 957970555 /nfs/dbraw/zinc/97/05/55/957970555.db2.gz KNQPRBXVPKJXMW-CSKARUKUSA-N 0 1 239.340 2.253 20 0 BEADMN CCOC(=O)CN1CC[C@@H](C2CCCCC2)C1 ZINC000708851548 959920081 /nfs/dbraw/zinc/92/00/81/959920081.db2.gz ZZRKTYMKPVECKN-CYBMUJFWSA-N 0 1 239.359 2.452 20 0 BEADMN COc1ncccc1CN[C@@H](C)C1(Cl)CC1 ZINC000695653446 960329094 /nfs/dbraw/zinc/32/90/94/960329094.db2.gz BQFXABFQBSYSSV-VIFPVBQESA-N 0 1 240.734 2.340 20 0 BEADMN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)n[nH]1 ZINC001203069888 960612182 /nfs/dbraw/zinc/61/21/82/960612182.db2.gz DJJMNULYECCRRJ-QMMMGPOBSA-N 0 1 229.274 2.195 20 0 BEADMN Cc1cc(CN2CCC[C@H](F)CC2)[nH]n1 ZINC001203069774 960612599 /nfs/dbraw/zinc/61/25/99/960612599.db2.gz CXCSSTQPELPYOA-JTQLQIEISA-N 0 1 211.284 2.042 20 0 BEADMN c1coc(CN2CC[C@H]3CCC[C@H]3C2)n1 ZINC001141004745 960804566 /nfs/dbraw/zinc/80/45/66/960804566.db2.gz LOQIJHCHJFBVIO-MNOVXSKESA-N 0 1 206.289 2.297 20 0 BEADMN Cc1ncoc1CN1CCC[C@H](C(F)F)C1 ZINC001141052976 960846162 /nfs/dbraw/zinc/84/61/62/960846162.db2.gz VPNRHIDJASRPKM-VIFPVBQESA-N 0 1 230.258 2.460 20 0 BEADMN Cc1ccncc1CN1CC2(CCC2)C1 ZINC001141033125 960826521 /nfs/dbraw/zinc/82/65/21/960826521.db2.gz BNHXLXHVUIINBO-UHFFFAOYSA-N 0 1 202.301 2.376 20 0 BEADMN O=C(c1ccc(Cl)c(O)c1)N1CC[C@H](F)C1 ZINC001141145247 960885377 /nfs/dbraw/zinc/88/53/77/960885377.db2.gz OKFBVDPAGNXGPU-QMMMGPOBSA-N 0 1 243.665 2.230 20 0 BEADMN COc1c(F)cccc1CN1CCCC1 ZINC001143525461 961045140 /nfs/dbraw/zinc/04/51/40/961045140.db2.gz VCUMJURBGUAECZ-UHFFFAOYSA-N 0 1 209.264 2.430 20 0 BEADMN FC(F)(F)c1ncc(CN2CCCC2)cn1 ZINC001141451199 961068580 /nfs/dbraw/zinc/06/85/80/961068580.db2.gz JCNMUYCFRGXAGE-UHFFFAOYSA-N 0 1 231.221 2.091 20 0 BEADMN CCOC(=O)c1ccc(C)cc1NC=N ZINC001167867591 961355805 /nfs/dbraw/zinc/35/58/05/961355805.db2.gz LWIMPJURTHEANF-UHFFFAOYSA-N 0 1 206.245 2.191 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ncc(F)cn1 ZINC001167910994 961816887 /nfs/dbraw/zinc/81/68/87/961816887.db2.gz YMCWDLYQLVQMAF-SDNRWEOFSA-N 0 1 221.279 2.065 20 0 BEADMN CN1CCC[C@@H](Oc2c(F)cccc2F)C1 ZINC001225206156 961866689 /nfs/dbraw/zinc/86/66/89/961866689.db2.gz JBPZEMXXPODOQT-SECBINFHSA-N 0 1 227.254 2.438 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300056888 962975952 /nfs/dbraw/zinc/97/59/52/962975952.db2.gz VSFZAKAPWMFPKL-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CN1CCC[C@H](Oc2cnccc2Cl)C1 ZINC001226292942 963136334 /nfs/dbraw/zinc/13/63/34/963136334.db2.gz BDRQLEAATRQPKT-VIFPVBQESA-N 0 1 226.707 2.208 20 0 BEADMN C/C(=C/C[N@H+](C)Cc1occc1C)C(=O)[O-] ZINC000309360305 963343961 /nfs/dbraw/zinc/34/39/61/963343961.db2.gz OOBHRHKNYSBTRD-WMZJFQQLSA-N 0 1 223.272 2.051 20 0 BEADMN CCCN(C)c1nc(Cl)nc2[nH]c(C)nc21 ZINC001156874535 963477088 /nfs/dbraw/zinc/47/70/88/963477088.db2.gz UBNGAQSJHKDCLP-UHFFFAOYSA-N 0 1 239.710 2.161 20 0 BEADMN CCCC[C@H]([NH2+]Cc1oc(C)nc1C)C(=O)[O-] ZINC000311801583 963512601 /nfs/dbraw/zinc/51/26/01/963512601.db2.gz UITNIUOQWRHGRD-JTQLQIEISA-N 0 1 240.303 2.024 20 0 BEADMN CCOC[C@@H]1CCCC[N@H+]1CCCCC(=O)[O-] ZINC000313210364 963625072 /nfs/dbraw/zinc/62/50/72/963625072.db2.gz OXGOQYVBQFBEJF-LBPRGKRZSA-N 0 1 243.347 2.132 20 0 BEADMN CCCCOC1CN([C@H]2CCO[C@@H](C)C2)C1 ZINC001168128412 963806436 /nfs/dbraw/zinc/80/64/36/963806436.db2.gz PXTPQTLIUWJJBV-RYUDHWBXSA-N 0 1 227.348 2.055 20 0 BEADMN CCC(F)(F)CN[C@H](C)C[C@H]1CCOC1 ZINC000697639400 964380882 /nfs/dbraw/zinc/38/08/82/964380882.db2.gz LSCLUKUJCGXHCG-NXEZZACHSA-N 0 1 221.291 2.436 20 0 BEADMN CC[C@H](O)CCNCc1csc(C2CC2)n1 ZINC000166137380 1165759483 /nfs/dbraw/zinc/75/94/83/1165759483.db2.gz VXUKEUXRSHJBRN-NSHDSACASA-N 0 1 240.372 2.271 20 0 BEADMN CCc1[nH]ncc1CN(C)Cc1cscn1 ZINC001237653008 966687539 /nfs/dbraw/zinc/68/75/39/966687539.db2.gz ARXVYGIXKZBZBN-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN Cc1ccc(CN2CCCC23COC3)s1 ZINC001204033348 966860407 /nfs/dbraw/zinc/86/04/07/966860407.db2.gz TZLBDYMRBPCNPZ-UHFFFAOYSA-N 0 1 223.341 2.421 20 0 BEADMN CCc1ccc(CN(C)C2(C)COC2)cc1 ZINC001204178766 966915927 /nfs/dbraw/zinc/91/59/27/966915927.db2.gz YAFSTCDOJMRSAJ-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN CCOC[C@@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001204795855 967175241 /nfs/dbraw/zinc/17/52/41/967175241.db2.gz DCOOERLPVUEDAR-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CCOC[C@@H]1CCN(Cc2ncccc2F)C1 ZINC001204795855 967175250 /nfs/dbraw/zinc/17/52/50/967175250.db2.gz DCOOERLPVUEDAR-LLVKDONJSA-N 0 1 238.306 2.079 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000249928944 1165837231 /nfs/dbraw/zinc/83/72/31/1165837231.db2.gz CYAXODQYUFZOAS-SDDRHHMPSA-N 0 1 227.348 2.306 20 0 BEADMN Oc1c(F)cc(F)cc1CCN1CCCC1 ZINC001250166176 967462845 /nfs/dbraw/zinc/46/28/45/967462845.db2.gz ILONXDQCRVFIMO-UHFFFAOYSA-N 0 1 227.254 2.309 20 0 BEADMN Cc1cccc2nc([C@@H]3CCOC3)[nH]c21 ZINC000082821717 1165928312 /nfs/dbraw/zinc/92/83/12/1165928312.db2.gz JWOODGVVWDEWCN-SECBINFHSA-N 0 1 202.257 2.375 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C[C@H]1CC=CCC1)C1CC1 ZINC000402226428 968306451 /nfs/dbraw/zinc/30/64/51/968306451.db2.gz VTSKSMWWNRYQLO-MNOVXSKESA-N 0 1 223.316 2.280 20 0 BEADMN CCn1ccnc1CNC[C@H](OC)C(C)(C)C ZINC000072925493 1165981708 /nfs/dbraw/zinc/98/17/08/1165981708.db2.gz ZMFXWTXOODTTEN-NSHDSACASA-N 0 1 239.363 2.054 20 0 BEADMN CCCC[C@@H](O)C[N@@H+](C)Cc1cccnc1 ZINC001252075682 968490262 /nfs/dbraw/zinc/49/02/62/968490262.db2.gz BXNUMXKARQSVJF-CYBMUJFWSA-N 0 1 222.332 2.065 20 0 BEADMN Cc1cc(CN(CCCCCO)C(C)C)no1 ZINC001206822503 968493292 /nfs/dbraw/zinc/49/32/92/968493292.db2.gz WKTYCVXQCITZSZ-UHFFFAOYSA-N 0 1 240.347 2.356 20 0 BEADMN Fc1cccnc1CN1C[C@H]2CC[C@@H]1C2 ZINC001207034720 968565067 /nfs/dbraw/zinc/56/50/67/968565067.db2.gz WHZAEMJSWLHGPK-VHSXEESVSA-N 0 1 206.264 2.205 20 0 BEADMN Fc1ccc(CN2C[C@H]3CC[C@@H]2C3)nc1 ZINC001207041226 968575706 /nfs/dbraw/zinc/57/57/06/968575706.db2.gz OZJKUKDCDIBHDC-JOYOIKCWSA-N 0 1 206.264 2.205 20 0 BEADMN CC1(CNCc2cscc2Cl)OCCO1 ZINC000389750896 1166039647 /nfs/dbraw/zinc/03/96/47/1166039647.db2.gz YXVZRIUIJRIEFL-UHFFFAOYSA-N 0 1 247.747 2.254 20 0 BEADMN Oc1ccc(CNCc2c[nH]cn2)cc1Cl ZINC000084080882 1166166853 /nfs/dbraw/zinc/16/68/53/1166166853.db2.gz NJRHVZXAZQLDJM-UHFFFAOYSA-N 0 1 237.690 2.059 20 0 BEADMN CCN(CCCc1ccc(C)o1)C1COC1 ZINC001207952262 968950774 /nfs/dbraw/zinc/95/07/74/968950774.db2.gz PHWSOPBZVYSMAJ-UHFFFAOYSA-N 0 1 223.316 2.241 20 0 BEADMN c1nn2ccccc2c1Nc1ccncc1 ZINC000219228171 1166179928 /nfs/dbraw/zinc/17/99/28/1166179928.db2.gz MDEWWXQVPXXJMC-UHFFFAOYSA-N 0 1 210.240 2.473 20 0 BEADMN CCC[C@@H](O)CNc1ccc2nc[nH]c2c1 ZINC001252790827 968970351 /nfs/dbraw/zinc/97/03/51/968970351.db2.gz JFMVMPZYOILOLV-SNVBAGLBSA-N 0 1 219.288 2.136 20 0 BEADMN C[C@H]1CCN(C(=O)[C@@H](N)c2ccccc2)C[C@H]1C ZINC000129544992 1166201560 /nfs/dbraw/zinc/20/15/60/1166201560.db2.gz QNBVJVUNGNGMDR-SCRDCRAPSA-N 0 1 246.354 2.191 20 0 BEADMN COC(=O)[C@@H]1CCCCN1CC[C@H](C)SC ZINC001208140039 969053941 /nfs/dbraw/zinc/05/39/41/969053941.db2.gz XBBCUBOKQUGMDN-QWRGUYRKSA-N 0 1 245.388 2.156 20 0 BEADMN CS[C@H](C)CCN1CCC(=O)[C@H](F)CC1 ZINC001208140235 969054932 /nfs/dbraw/zinc/05/49/32/969054932.db2.gz YSSOTNYIDSVGIQ-NXEZZACHSA-N 0 1 233.352 2.131 20 0 BEADMN c1snnc1CNC1C[C@H]2CC[C@@H](C1)S2 ZINC000403595647 1166219147 /nfs/dbraw/zinc/21/91/47/1166219147.db2.gz HDSDLDIYNKAHOL-RSMPGPOFSA-N 0 1 241.385 2.054 20 0 BEADMN CC[C@@]1(C)CCN(CC(=O)OC(C)C)C1 ZINC000399428846 1166231606 /nfs/dbraw/zinc/23/16/06/1166231606.db2.gz XYVMGUSBLYSTOA-LBPRGKRZSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cnccc1CNCc1cccnc1 ZINC000129740695 1166262466 /nfs/dbraw/zinc/26/24/66/1166262466.db2.gz GJOUGMPQWRVKGV-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CCCCN(CCC1CC1)CC(=O)OCC ZINC001208687548 969194550 /nfs/dbraw/zinc/19/45/50/969194550.db2.gz GFYGYCWCBKTOIF-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN CCCCC[C@@H](O)CN1CCC(=O)[C@@H](C)CC1 ZINC001253525193 969202459 /nfs/dbraw/zinc/20/24/59/969202459.db2.gz KPZGVVKGRRIZBX-QWHCGFSZSA-N 0 1 241.375 2.229 20 0 BEADMN COc1ccccc1CCCN(C)CC(C)=O ZINC001208836101 969247992 /nfs/dbraw/zinc/24/79/92/969247992.db2.gz XIIBXJZVRFRMIH-UHFFFAOYSA-N 0 1 235.327 2.149 20 0 BEADMN Cn1cc(N=C2CCCOC2)c(C(F)(F)F)n1 ZINC001216505115 1166295214 /nfs/dbraw/zinc/29/52/14/1166295214.db2.gz GSLUFCHIZAUVDI-UHFFFAOYSA-N 0 1 247.220 2.155 20 0 BEADMN CCC(=O)C(C)(C)CN1C[C@@H](C)OC[C@@H]1C ZINC001208923505 969308302 /nfs/dbraw/zinc/30/83/02/969308302.db2.gz RSSVQUDADWUGML-WDEREUQCSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)[C@H](O)CN(C)Cc1cccc(F)c1F ZINC001253768367 969388507 /nfs/dbraw/zinc/38/85/07/969388507.db2.gz UGYGKUZNZBSYRZ-GFCCVEGCSA-N 0 1 243.297 2.414 20 0 BEADMN COCCCCN1CC[C@@](C)(F)[C@H](F)C1 ZINC001209217517 969406306 /nfs/dbraw/zinc/40/63/06/969406306.db2.gz GZUNYMDZDILRPB-GHMZBOCLSA-N 0 1 221.291 2.185 20 0 BEADMN Cc1[nH]ncc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001209554668 969538578 /nfs/dbraw/zinc/53/85/78/969538578.db2.gz LHXDDJOQLRSOMF-JTQLQIEISA-N 0 1 247.264 2.145 20 0 BEADMN CCN(CC(=O)OC)C1CCC(F)(F)CC1 ZINC001254229428 969547587 /nfs/dbraw/zinc/54/75/87/969547587.db2.gz ISWDEVWCFOKVNL-UHFFFAOYSA-N 0 1 235.274 2.059 20 0 BEADMN CCCN(Cc1ccon1)C1CCOCC1 ZINC001209568255 969551079 /nfs/dbraw/zinc/55/10/79/969551079.db2.gz PADANCCAOHPJRJ-UHFFFAOYSA-N 0 1 224.304 2.066 20 0 BEADMN CSCC[C@@H](C)N1CCC(=O)[C@H](C)C1 ZINC000252954360 1166448669 /nfs/dbraw/zinc/44/86/69/1166448669.db2.gz QPYARZXREPNPCS-NXEZZACHSA-N 0 1 215.362 2.039 20 0 BEADMN CCCCC(=O)[C@H](C)N/C(C)=C/C=C/N ZINC001169547580 969741486 /nfs/dbraw/zinc/74/14/86/969741486.db2.gz NHOSFYMCQVZGHT-PLZNCBDESA-N 0 1 210.321 2.100 20 0 BEADMN C[C@@H](N[C@@H]1CC2CCN(CC2)C1)C(F)(F)F ZINC001254835647 969798998 /nfs/dbraw/zinc/79/89/98/969798998.db2.gz IAVHHLJKQXUMIP-PSASIEDQSA-N 0 1 236.281 2.011 20 0 BEADMN COc1cccc(CNC/C=C\C2CC2)n1 ZINC000378662944 1166548500 /nfs/dbraw/zinc/54/85/00/1166548500.db2.gz CVBKLJTUHDFVTA-ARJAWSKDSA-N 0 1 218.300 2.146 20 0 BEADMN Cc1noc(C)c1CNC/C=C/C1CC1 ZINC000378770133 1166557153 /nfs/dbraw/zinc/55/71/53/1166557153.db2.gz FIWHDTVNRRFHPT-ONEGZZNKSA-N 0 1 206.289 2.347 20 0 BEADMN c1cc2n(c1)CCN(C1CCSCC1)C2 ZINC001255092504 969927083 /nfs/dbraw/zinc/92/70/83/969927083.db2.gz BUCRJNKUAFLBKL-UHFFFAOYSA-N 0 1 222.357 2.199 20 0 BEADMN c1cnc([C@H]2CCCN2[C@@H]2CCSC2)nc1 ZINC001255296599 970061202 /nfs/dbraw/zinc/06/12/02/970061202.db2.gz USUOJMRWMXKMHL-GHMZBOCLSA-N 0 1 235.356 2.119 20 0 BEADMN CCC[C@@H](O)CNc1ncc(C)cc1C ZINC000394848679 1166636243 /nfs/dbraw/zinc/63/62/43/1166636243.db2.gz DNRKRDUVUWWICB-LLVKDONJSA-N 0 1 208.305 2.271 20 0 BEADMN Cc1cnc(NC2CN(C(C)C)C2)c(C)c1 ZINC000394862423 1166640815 /nfs/dbraw/zinc/64/08/15/1166640815.db2.gz MVWYNLMOGMLVJY-UHFFFAOYSA-N 0 1 219.332 2.203 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(F)c(O)c1 ZINC001211214928 970177311 /nfs/dbraw/zinc/17/73/11/970177311.db2.gz KGCHVHFQFSHMGG-UHFFFAOYSA-N 0 1 221.235 2.317 20 0 BEADMN CC[C@H](C)N[C@H]1c2cc(C)ccc2NC1=O ZINC000019882401 1166651808 /nfs/dbraw/zinc/65/18/08/1166651808.db2.gz QLQCYPINHQZFQA-CABZTGNLSA-N 0 1 218.300 2.376 20 0 BEADMN CC(=O)N(C)C1CN([C@@H](C)CCCC(C)C)C1 ZINC001170083633 970194637 /nfs/dbraw/zinc/19/46/37/970194637.db2.gz RFPCGPZGNTVCBS-LBPRGKRZSA-N 0 1 240.391 2.364 20 0 BEADMN Cc1ccnc(CNC2(CC(C)C)CC2)n1 ZINC000692649268 1166669472 /nfs/dbraw/zinc/66/94/72/1166669472.db2.gz BJMJAJWOJMUHDT-UHFFFAOYSA-N 0 1 219.332 2.453 20 0 BEADMN C[C@H](CC(F)(F)F)NCc1ccno1 ZINC001255633197 970410721 /nfs/dbraw/zinc/41/07/21/970410721.db2.gz IUJVGQZBCNPXMH-ZCFIWIBFSA-N 0 1 208.183 2.105 20 0 BEADMN C[C@@H](N[C@H](C)C1(C)CC1)c1csnn1 ZINC000398328968 1166719292 /nfs/dbraw/zinc/71/92/92/1166719292.db2.gz MEUAPOZATORABY-HTQZYQBOSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@@H](CSc1ccc(F)cc1)NC1COC1 ZINC001255722937 970466031 /nfs/dbraw/zinc/46/60/31/970466031.db2.gz CXGIVJPRDOCCHA-VIFPVBQESA-N 0 1 241.331 2.295 20 0 BEADMN COc1c(F)cc(-n2cncc2N)cc1Cl ZINC001214966554 970585260 /nfs/dbraw/zinc/58/52/60/970585260.db2.gz PJIJXOSMZMOFBL-UHFFFAOYSA-N 0 1 241.653 2.256 20 0 BEADMN Oc1ccccc1CCNCc1nccs1 ZINC000381551011 1166943240 /nfs/dbraw/zinc/94/32/40/1166943240.db2.gz MRNSOXHYFVTLCY-UHFFFAOYSA-N 0 1 234.324 2.181 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC(OCCC)CC1 ZINC001173094362 975020598 /nfs/dbraw/zinc/02/05/98/975020598.db2.gz IZYVCXQHWHXERC-UHFFFAOYSA-N 0 1 241.399 2.209 20 0 BEADMN CC(=O)[C@@H](C)Oc1nc2ccc(F)cc2[nH]1 ZINC001226700551 975033975 /nfs/dbraw/zinc/03/39/75/975033975.db2.gz BFPDWXWCYQEXSR-SSDOTTSWSA-N 0 1 222.219 2.058 20 0 BEADMN C[C@H]1C[C@H](N2CCC(F)(F)[C@H](F)C2)CCO1 ZINC001173170952 975065482 /nfs/dbraw/zinc/06/54/82/975065482.db2.gz AXKWEWLTKANGNX-IVZWLZJFSA-N 0 1 237.265 2.233 20 0 BEADMN CCSC[C@H](C)N1CCC(=O)[C@H](F)CC1 ZINC001173299726 975190828 /nfs/dbraw/zinc/19/08/28/975190828.db2.gz IHENMOKVQVZHIE-VHSXEESVSA-N 0 1 233.352 2.131 20 0 BEADMN CCSC[C@@H](C)NCc1cn(CC)cn1 ZINC001173299507 975191399 /nfs/dbraw/zinc/19/13/99/975191399.db2.gz UUIZMBOGWIRAEN-SNVBAGLBSA-N 0 1 227.377 2.134 20 0 BEADMN C[C@@H]1CC[C@H](C)[C@@H](NCc2csnn2)C1 ZINC000398238412 1167047597 /nfs/dbraw/zinc/04/75/97/1167047597.db2.gz AIDMTXCSYDXDDJ-YWVKMMECSA-N 0 1 225.361 2.452 20 0 BEADMN CC(C)C[C@@H](C)CNCc1csnn1 ZINC000398245634 1167050171 /nfs/dbraw/zinc/05/01/71/1167050171.db2.gz RXJHJDCKYMBQLN-SECBINFHSA-N 0 1 213.350 2.310 20 0 BEADMN C[C@H]1CC(C)(C)C[C@H]1NCc1csnn1 ZINC000398327404 1167053994 /nfs/dbraw/zinc/05/39/94/1167053994.db2.gz JLAISSVITJCQIQ-WCBMZHEXSA-N 0 1 225.361 2.452 20 0 BEADMN C[C@H](N[C@@H](C)C1(C)CC1)c1csnn1 ZINC000398328980 1167055158 /nfs/dbraw/zinc/05/51/58/1167055158.db2.gz MEUAPOZATORABY-YUMQZZPRSA-N 0 1 211.334 2.377 20 0 BEADMN C[C@@H](Oc1cccc2[nH]nnc21)c1cccnc1 ZINC001225990748 1167061790 /nfs/dbraw/zinc/06/17/90/1167061790.db2.gz IXMUILLVDNBYFH-SECBINFHSA-N 0 1 240.266 2.493 20 0 BEADMN CC[C@H]1CC[C@H](N2Cc3cnn(C)c3C2)C1 ZINC001173289793 975256624 /nfs/dbraw/zinc/25/66/24/975256624.db2.gz USKVAFZAZCZLMX-JQWIXIFHSA-N 0 1 219.332 2.314 20 0 BEADMN C[C@H](NC/C=C\C1CC1)c1nccn1C ZINC000382411479 1167101902 /nfs/dbraw/zinc/10/19/02/1167101902.db2.gz URZCIQLPAAICPF-XOULXFPDSA-N 0 1 205.305 2.037 20 0 BEADMN CC(C)(C)CCNc1cnc2n[nH]nc2c1 ZINC001161677240 1167115790 /nfs/dbraw/zinc/11/57/90/1167115790.db2.gz NGFMNOCIZKUJJB-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN CC[C@H](C)Nc1cnc(N2CCOCC2)cc1C ZINC001168000444 1167135645 /nfs/dbraw/zinc/13/56/45/1167135645.db2.gz PKFIRQNFZCIHNU-LBPRGKRZSA-N 0 1 249.358 2.437 20 0 BEADMN Cc1nn(C)c(Cl)c1CNCCC(F)F ZINC000308812506 1167199722 /nfs/dbraw/zinc/19/97/22/1167199722.db2.gz CZIIHANVWBJNPB-UHFFFAOYSA-N 0 1 237.681 2.127 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCCC[C@H]1C ZINC001227597351 975570846 /nfs/dbraw/zinc/57/08/46/975570846.db2.gz BFNQBQIRILCWDF-APPZFPTMSA-N 0 1 239.344 2.426 20 0 BEADMN CSc1ccncc1NCc1cnc[nH]1 ZINC000308966500 1167226475 /nfs/dbraw/zinc/22/64/75/1167226475.db2.gz WECKSLHIJJNDAM-UHFFFAOYSA-N 0 1 220.301 2.139 20 0 BEADMN CC(C)Nc1cnccc1-n1cccn1 ZINC000309017652 1167240272 /nfs/dbraw/zinc/24/02/72/1167240272.db2.gz VGNKACRMDMBNJI-UHFFFAOYSA-N 0 1 202.261 2.088 20 0 BEADMN CCCn1cncc1CN1CCCCC1 ZINC000309039417 1167241165 /nfs/dbraw/zinc/24/11/65/1167241165.db2.gz IRHQJLFHNNULDN-UHFFFAOYSA-N 0 1 207.321 2.279 20 0 BEADMN CCN1CC[C@@H](Oc2cc(Cl)cnc2F)C1 ZINC001228573254 976337120 /nfs/dbraw/zinc/33/71/20/976337120.db2.gz RVDZPKHSLZVXGU-SECBINFHSA-N 0 1 244.697 2.347 20 0 BEADMN CC1CCN(Cc2ncccc2F)CC1 ZINC000225249183 1167354277 /nfs/dbraw/zinc/35/42/77/1167354277.db2.gz ILGDFBZZATWSGN-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN Cc1nnc(SCc2nc(C)sc2C)[nH]1 ZINC001335396028 977022565 /nfs/dbraw/zinc/02/25/65/977022565.db2.gz RMNDEMPONPTLNF-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN Cc1n[nH]c(SCc2nc(C)sc2C)n1 ZINC001335396028 977022580 /nfs/dbraw/zinc/02/25/80/977022580.db2.gz RMNDEMPONPTLNF-UHFFFAOYSA-N 0 1 240.357 2.479 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](N)c1ccccc1 ZINC000040458712 1167430995 /nfs/dbraw/zinc/43/09/95/1167430995.db2.gz ZSUIQWIJVNAZTH-MBNYWOFBSA-N 0 1 246.354 2.476 20 0 BEADMN COC(C)(C)CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001593935801 977411817 /nfs/dbraw/zinc/41/18/17/977411817.db2.gz MOCGXSCONGBMBQ-GHMZBOCLSA-N 0 1 243.347 2.129 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2cnccc2N)C[C@H]1C ZINC000251938173 1167464554 /nfs/dbraw/zinc/46/45/54/1167464554.db2.gz VVPWAOSIFRBCHC-GMTAPVOTSA-N 0 1 247.342 2.218 20 0 BEADMN C[C@@H]1CC[C@@H](n2ccnc2CN)C[C@H]1C ZINC000251917761 1167464712 /nfs/dbraw/zinc/46/47/12/1167464712.db2.gz ULKQFWIEBKLCLI-GMTAPVOTSA-N 0 1 207.321 2.339 20 0 BEADMN CCCCN1CCN(C(=O)C=C2CCC2)CC1 ZINC001687424693 1167490118 /nfs/dbraw/zinc/49/01/18/1167490118.db2.gz GEYMZOCSXXFTAX-UHFFFAOYSA-N 0 1 236.359 2.041 20 0 BEADMN Cc1ncccc1NC1=CCCN(C)C1 ZINC001175574518 977568751 /nfs/dbraw/zinc/56/87/51/977568751.db2.gz YMHCNUUGFOWQDA-UHFFFAOYSA-N 0 1 203.289 2.021 20 0 BEADMN Cc1nc(Cl)ncc1NC1=CCCN(C)C1 ZINC001175575352 977570255 /nfs/dbraw/zinc/57/02/55/977570255.db2.gz SHGMFNIVKUAVJG-UHFFFAOYSA-N 0 1 238.722 2.070 20 0 BEADMN CN1CCC=C(Nc2ccc(O)cc2F)C1 ZINC001175577119 977587746 /nfs/dbraw/zinc/58/77/46/977587746.db2.gz WSAVKUPQMFNNNV-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN COCc1ccc(CN2CCC[C@@H]3C[C@@H]32)o1 ZINC001231694453 977696709 /nfs/dbraw/zinc/69/67/09/977696709.db2.gz IXDNAVIVORAIJA-MFKMUULPSA-N 0 1 221.300 2.410 20 0 BEADMN Cc1scnc1CN1CC[C@]2(CCOC2)C1 ZINC001232210467 977935593 /nfs/dbraw/zinc/93/55/93/977935593.db2.gz OTPCVJRIUNVWHD-LBPRGKRZSA-N 0 1 238.356 2.064 20 0 BEADMN CO[C@@H]1CCN(Cc2cnsc2)[C@@H](C)C1 ZINC001232232768 977968145 /nfs/dbraw/zinc/96/81/45/977968145.db2.gz XPSOYMMEHJFKEX-GXSJLCMTSA-N 0 1 226.345 2.142 20 0 BEADMN COCc1cccc(CN2CCC(F)CC2)n1 ZINC001232251993 977968306 /nfs/dbraw/zinc/96/83/06/977968306.db2.gz KZENOVOZQSWXBA-UHFFFAOYSA-N 0 1 238.306 2.162 20 0 BEADMN Clc1csc(CN2CCN3CC[C@H]3C2)c1 ZINC001232283262 977994892 /nfs/dbraw/zinc/99/48/92/977994892.db2.gz VCRKGCNPDQEKNZ-JTQLQIEISA-N 0 1 242.775 2.291 20 0 BEADMN Cc1ncc(CN2CC[C@H](CF)C(F)(F)C2)[nH]1 ZINC001232459302 978083923 /nfs/dbraw/zinc/08/39/23/978083923.db2.gz BTHSWSQCGMGDCZ-SECBINFHSA-N 0 1 247.264 2.145 20 0 BEADMN C[C@H](CNc1ccnc(N)n1)Cc1cccs1 ZINC001120902511 1167703046 /nfs/dbraw/zinc/70/30/46/1167703046.db2.gz SRGPJCJUEIVWRD-VIFPVBQESA-N 0 1 248.355 2.411 20 0 BEADMN CC(C)c1cnc(CNCC(C)(C)CO)s1 ZINC000134861010 1167713285 /nfs/dbraw/zinc/71/32/85/1167713285.db2.gz FEIZBMIFORNYBR-UHFFFAOYSA-N 0 1 242.388 2.375 20 0 BEADMN [O-]c1cnc(Cl)cc1C[N@H+]1CCC2(CC2)C1 ZINC001233032811 978422993 /nfs/dbraw/zinc/42/29/93/978422993.db2.gz TYUYKYTZRBWHFZ-UHFFFAOYSA-N 0 1 238.718 2.427 20 0 BEADMN CC(C)CN(C)Cc1ccc(N(C)C)nc1F ZINC001233112488 978467275 /nfs/dbraw/zinc/46/72/75/978467275.db2.gz BJIKCSKUQKEXTL-UHFFFAOYSA-N 0 1 239.338 2.375 20 0 BEADMN COCCOC1CN(C2CCC3(CC3)CC2)C1 ZINC000459454521 1167801162 /nfs/dbraw/zinc/80/11/62/1167801162.db2.gz DNFCPFVKAJNWFA-UHFFFAOYSA-N 0 1 239.359 2.056 20 0 BEADMN CO[C@H]1CCCN(Cc2sncc2C)C1 ZINC001233317787 978548023 /nfs/dbraw/zinc/54/80/23/978548023.db2.gz CWKRVNZEXREVBY-JTQLQIEISA-N 0 1 226.345 2.062 20 0 BEADMN CCOC1CCN(Cc2sncc2C)CC1 ZINC001233320723 978557551 /nfs/dbraw/zinc/55/75/51/978557551.db2.gz KRPVQHNWAFEGAI-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)C1CCC1 ZINC001233587711 978634248 /nfs/dbraw/zinc/63/42/48/978634248.db2.gz XWXOGBSZLDZCEN-ZCFIWIBFSA-N 0 1 228.679 2.403 20 0 BEADMN CCCSCC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001338244501 978643473 /nfs/dbraw/zinc/64/34/73/978643473.db2.gz WOGFKLDUNGMVNY-UHFFFAOYSA-N 0 1 242.348 2.010 20 0 BEADMN CCCSCC(=O)Nc1n[nH]c(C(C)C)n1 ZINC001338244501 978643476 /nfs/dbraw/zinc/64/34/76/978643476.db2.gz WOGFKLDUNGMVNY-UHFFFAOYSA-N 0 1 242.348 2.010 20 0 BEADMN CCN1CC[C@@H](Oc2cc(Cl)ncc2F)C1 ZINC001233911597 978727333 /nfs/dbraw/zinc/72/73/33/978727333.db2.gz NWWZLODAMCCLBJ-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN CC[C@@H]1C(=O)NCCN1CCCCC(C)C ZINC001180213690 978839190 /nfs/dbraw/zinc/83/91/90/978839190.db2.gz XKMQITLGKFZCKC-GFCCVEGCSA-N 0 1 226.364 2.023 20 0 BEADMN CN1CC[C@@H](Oc2c(O)cc(Cl)cc2F)C1 ZINC001234447673 978838257 /nfs/dbraw/zinc/83/82/57/978838257.db2.gz MGRVHTRXGFUWPY-MRVPVSSYSA-N 0 1 245.681 2.268 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](F)C1 ZINC001601810257 978851682 /nfs/dbraw/zinc/85/16/82/978851682.db2.gz AJUDUPZPANUVTI-QJPTWQEYSA-N 0 1 243.322 2.311 20 0 BEADMN O=C([O-])CCCC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001601987850 978878388 /nfs/dbraw/zinc/87/83/88/978878388.db2.gz LGCZVKSSOYLKEY-GFCCVEGCSA-N 0 1 225.332 2.363 20 0 BEADMN O=C([O-])CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC001602015500 978884896 /nfs/dbraw/zinc/88/48/96/978884896.db2.gz ZGCLRUQHKWFQOU-MRVPVSSYSA-N 0 1 239.237 2.126 20 0 BEADMN CCOc1cc(O)cc(CN2CC(C)C2)c1 ZINC001235386023 979032881 /nfs/dbraw/zinc/03/28/81/979032881.db2.gz MNDUWGOOJWPLHH-UHFFFAOYSA-N 0 1 221.300 2.243 20 0 BEADMN CC1(C)CC=C(C(=O)N2CC[N@H+]3CC[C@H]2C3)CC1 ZINC000615573711 1168221076 /nfs/dbraw/zinc/22/10/76/1168221076.db2.gz OTSGSYZVSUULSL-ZDUSSCGKSA-N 0 1 248.370 2.039 20 0 BEADMN CC[C@@H](C)N(OC)C(=O)c1cnc(C(C)C)[nH]1 ZINC001341389882 979373148 /nfs/dbraw/zinc/37/31/48/979373148.db2.gz YGZIEPWICPCTGZ-SECBINFHSA-N 0 1 239.319 2.335 20 0 BEADMN CCc1cccc(C)c1CN1CC[C@H]1NC ZINC001236168294 979422361 /nfs/dbraw/zinc/42/23/61/979422361.db2.gz RZIZCNOIUAMPQK-AWEZNQCLSA-N 0 1 218.344 2.309 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001603766790 979518370 /nfs/dbraw/zinc/51/83/70/979518370.db2.gz JVLXTHCWXAYDPX-ZJUUUORDSA-N 0 1 249.301 2.463 20 0 BEADMN COc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1 ZINC000116605163 1168307781 /nfs/dbraw/zinc/30/77/81/1168307781.db2.gz HRVHFWGSHTYUHX-UHFFFAOYSA-N 0 1 230.267 2.464 20 0 BEADMN Cc1cc(Cl)cc(CN(C)[C@H]2CCOC2)n1 ZINC001236642487 979685759 /nfs/dbraw/zinc/68/57/59/979685759.db2.gz GYKCQFSRVHCZMX-LBPRGKRZSA-N 0 1 240.734 2.264 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC=C(Cl)C1 ZINC001604924143 979771427 /nfs/dbraw/zinc/77/14/27/979771427.db2.gz MKAZWGPWXRQWIM-SCZZXKLOSA-N 0 1 231.723 2.314 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001604957043 979784214 /nfs/dbraw/zinc/78/42/14/979784214.db2.gz WLODRVOBLORICG-VIFPVBQESA-N 0 1 238.331 2.499 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001604957042 979783298 /nfs/dbraw/zinc/78/32/98/979783298.db2.gz WLODRVOBLORICG-SECBINFHSA-N 0 1 238.331 2.499 20 0 BEADMN C[C@@H]1CCN(CC2OC=CC2=S)CCC1=O ZINC001237182217 979833935 /nfs/dbraw/zinc/83/39/35/979833935.db2.gz RXWRGWJDXJJLPT-SECBINFHSA-N 0 1 239.340 2.369 20 0 BEADMN Cc1[nH+]ccn1CCCCS[C@H](C)C(=O)[O-] ZINC001605424384 979870016 /nfs/dbraw/zinc/87/00/16/979870016.db2.gz OHVWGFFLACJSLY-SECBINFHSA-N 0 1 242.344 2.178 20 0 BEADMN Cc1coc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC001237633439 979982409 /nfs/dbraw/zinc/98/24/09/979982409.db2.gz ACNPWVCMQPUSEN-PHIMTYICSA-N 0 1 206.289 2.215 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@H](CF)C1 ZINC000711481788 1168406253 /nfs/dbraw/zinc/40/62/53/1168406253.db2.gz OAYSBWNUYQTIAL-GHMZBOCLSA-N 0 1 231.311 2.010 20 0 BEADMN COc1ccoc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237870827 980106893 /nfs/dbraw/zinc/10/68/93/980106893.db2.gz GLPSBAUYOXWZTK-LPEHRKFASA-N 0 1 225.263 2.221 20 0 BEADMN COc1ccoc1CN1CC2CC(C2)C1 ZINC001237873048 980108646 /nfs/dbraw/zinc/10/86/46/980108646.db2.gz BACFXFZOPSELEA-UHFFFAOYSA-N 0 1 207.273 2.130 20 0 BEADMN COc1ccoc1CN1CC[C@H](OC(C)C)C1 ZINC001237877183 980108946 /nfs/dbraw/zinc/10/89/46/980108946.db2.gz SFYKWUDHXSBLCS-NSHDSACASA-N 0 1 239.315 2.288 20 0 BEADMN Cc1cc(NC(=O)[C@@H]2CCCN2C)c(C)cc1O ZINC000335786548 1168430925 /nfs/dbraw/zinc/43/09/25/1168430925.db2.gz XOHQKABSKAJWRH-LBPRGKRZSA-N 0 1 248.326 2.042 20 0 BEADMN Oc1cc(F)c(CN2CCOCC2)cc1Cl ZINC001238144609 980172887 /nfs/dbraw/zinc/17/28/87/980172887.db2.gz WTIAGWIFLBNTAB-UHFFFAOYSA-N 0 1 245.681 2.017 20 0 BEADMN Cc1ccnc(CNCc2ccncc2)c1 ZINC000328134966 1168459224 /nfs/dbraw/zinc/45/92/24/1168459224.db2.gz XSNKSTXGYRUQAD-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN Cc1nnc(Nc2cc(C)cnc2C)o1 ZINC001203655202 980487240 /nfs/dbraw/zinc/48/72/40/980487240.db2.gz XRIRQDFSRHZCBH-UHFFFAOYSA-N 0 1 204.233 2.133 20 0 BEADMN CC(C)c1ncc(C(=O)N2C[C@H](C)[C@H](C)C2)[nH]1 ZINC000075411862 980526921 /nfs/dbraw/zinc/52/69/21/980526921.db2.gz PSZMSEUDENLTOO-AOOOYVTPSA-N 0 1 235.331 2.261 20 0 BEADMN C/C=C(\C)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001345280720 980592350 /nfs/dbraw/zinc/59/23/50/980592350.db2.gz UXYWXQIEGRPPMQ-ZZXKWVIFSA-N 0 1 248.204 2.438 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C[C@@H](C)CC)n[nH]1 ZINC001346679977 980882174 /nfs/dbraw/zinc/88/21/74/980882174.db2.gz YPXRFOYVNNAYQH-IUCAKERBSA-N 0 1 239.319 2.408 20 0 BEADMN CC(C)(C(=O)OCc1nnc[nH]1)C1CCCC1 ZINC001346752817 980900718 /nfs/dbraw/zinc/90/07/18/980900718.db2.gz WUXAMTKKLRDAQD-UHFFFAOYSA-N 0 1 237.303 2.064 20 0 BEADMN Nc1cnc(-c2cc(Cl)c(O)cc2F)cn1 ZINC001245671693 1168607472 /nfs/dbraw/zinc/60/74/72/1168607472.db2.gz KSFNAXICXODXKF-UHFFFAOYSA-N 0 1 239.637 2.224 20 0 BEADMN CC(C)CCCCC(=O)NCCN1CC=CC1 ZINC001348038296 981255690 /nfs/dbraw/zinc/25/56/90/981255690.db2.gz MMOGBIJLMHDIEV-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CCC(N)=NOCc1ccc(C(C)=O)cc1 ZINC001348568665 981395720 /nfs/dbraw/zinc/39/57/20/981395720.db2.gz QSEQSVXCXFKOFJ-UHFFFAOYSA-N 0 1 220.272 2.298 20 0 BEADMN Cc1sccc1-c1ncc2c(n1)CNC2 ZINC001240498950 981420951 /nfs/dbraw/zinc/42/09/51/981420951.db2.gz HPTKPTRJWQZFDA-UHFFFAOYSA-N 0 1 217.297 2.117 20 0 BEADMN CC[C@H](C)NC(=O)c1ccc(F)c(O)c1F ZINC001193793743 981439434 /nfs/dbraw/zinc/43/94/34/981439434.db2.gz QSXVRXPBWGWKGS-LURJTMIESA-N 0 1 229.226 2.199 20 0 BEADMN Cc1c(Cl)ccnc1Nc1nccnc1CN ZINC001171440433 1168672099 /nfs/dbraw/zinc/67/20/99/1168672099.db2.gz DLWBBVVPJOPKJX-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN COc1c(F)ccc(Nc2ncc[nH]2)c1F ZINC001176083872 1168703706 /nfs/dbraw/zinc/70/37/06/1168703706.db2.gz GOBAGFYJQRQKHH-UHFFFAOYSA-N 0 1 225.198 2.440 20 0 BEADMN CCC(CC)COC(=O)N1CCCN(C)CC1 ZINC001194679221 981853942 /nfs/dbraw/zinc/85/39/42/981853942.db2.gz IVYFEDXOEWORLD-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN CCC(CC)COC(=O)N[C@H]1CCCN(C)C1 ZINC001194714698 981868985 /nfs/dbraw/zinc/86/89/85/981868985.db2.gz LXKVDLMBYJNZMC-LBPRGKRZSA-N 0 1 242.363 2.243 20 0 BEADMN CCCN1CCN(C(=O)OC[C@H](C)CC)CC1 ZINC001194787234 981876918 /nfs/dbraw/zinc/87/69/18/981876918.db2.gz OEZOFJKPJGNVDE-GFCCVEGCSA-N 0 1 242.363 2.197 20 0 BEADMN CC[C@H](C)COC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001194776028 981900144 /nfs/dbraw/zinc/90/01/44/981900144.db2.gz RSFDOZBNOLNXBP-SDDRHHMPSA-N 0 1 242.363 2.194 20 0 BEADMN CC[C@H](C)COC(=O)N1CCN(CC)[C@H](C)C1 ZINC001194800040 981900970 /nfs/dbraw/zinc/90/09/70/981900970.db2.gz DGBOAZWQDVEVTN-NWDGAFQWSA-N 0 1 242.363 2.195 20 0 BEADMN CCN(CC(=O)OC)[C@@H]1CCC(C)(C)C1 ZINC000344478489 1168728823 /nfs/dbraw/zinc/72/88/23/1168728823.db2.gz DCYHZTGSXJUBBU-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN O=C(Nc1c(O)cc(F)cc1F)OCCF ZINC001194964315 982002179 /nfs/dbraw/zinc/00/21/79/982002179.db2.gz QJNOSSWDLJOAJC-UHFFFAOYSA-N 0 1 235.161 2.188 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001594873055 982191799 /nfs/dbraw/zinc/19/17/99/982191799.db2.gz IXACKKBTFBBFMX-IRCOFANPSA-N 0 1 225.332 2.360 20 0 BEADMN CN1CC=C(c2ncc(C(F)F)cn2)CC1 ZINC001241317097 982466728 /nfs/dbraw/zinc/46/67/28/982466728.db2.gz IVAHAQXLJCSTKH-UHFFFAOYSA-N 0 1 225.242 2.133 20 0 BEADMN CSc1ncc(C2=CCN(C)CC2)c(C)n1 ZINC001241332565 982495486 /nfs/dbraw/zinc/49/54/86/982495486.db2.gz LNBOJKCIJQVQTC-UHFFFAOYSA-N 0 1 235.356 2.226 20 0 BEADMN C[C@H](c1ccc(F)nc1)[N@@H+](C)CCCC(=O)[O-] ZINC001589174966 982660527 /nfs/dbraw/zinc/66/05/27/982660527.db2.gz LGXXANOFAWDTOP-SECBINFHSA-N 0 1 240.278 2.078 20 0 BEADMN Brc1cc(CN2CCCC2)c[nH]1 ZINC000258178542 1168938875 /nfs/dbraw/zinc/93/88/75/1168938875.db2.gz IVMUNPUZFAVVCN-UHFFFAOYSA-N 0 1 229.121 2.373 20 0 BEADMN c1c[nH]c(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001204005427 1168957170 /nfs/dbraw/zinc/95/71/70/1168957170.db2.gz PZUINYAFZXNXKC-AAEUAGOBSA-N 0 1 220.316 2.016 20 0 BEADMN Oc1cc(NC(=S)NC2CC2)cc(F)c1F ZINC001200630106 983280503 /nfs/dbraw/zinc/28/05/03/983280503.db2.gz DBGGWGAKLUNHEM-UHFFFAOYSA-N 0 1 244.266 2.119 20 0 BEADMN CCC[C@@H](C)CN1CC(N2CCC(F)(F)C2)C1 ZINC001201552933 983309173 /nfs/dbraw/zinc/30/91/73/983309173.db2.gz WGCXZHQVKASIJL-LLVKDONJSA-N 0 1 246.345 2.448 20 0 BEADMN CC(C)OC(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000043446998 1169088287 /nfs/dbraw/zinc/08/82/87/1169088287.db2.gz JVIXIVGREGYQGK-QWRGUYRKSA-N 0 1 213.321 2.201 20 0 BEADMN CCCNCc1nc(-c2ccccc2)no1 ZINC000044287624 1169091999 /nfs/dbraw/zinc/09/19/99/1169091999.db2.gz XOIOMQJYSMGJPM-UHFFFAOYSA-N 0 1 217.272 2.236 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1CCCCC1 ZINC001357153266 983668573 /nfs/dbraw/zinc/66/85/73/983668573.db2.gz WEOXSDMKQORZSO-UHFFFAOYSA-N 0 1 222.288 2.455 20 0 BEADMN CCC[C@@H](O)CN1CCC[C@H]1c1nccs1 ZINC001252789564 983886135 /nfs/dbraw/zinc/88/61/35/983886135.db2.gz VLNQXEVDDRWTSU-MNOVXSKESA-N 0 1 240.372 2.441 20 0 BEADMN COc1cnc(F)c(C[N@@H+](C)C(C)(C)C)c1 ZINC000877607228 983956092 /nfs/dbraw/zinc/95/60/92/983956092.db2.gz BHZJEVKUSVABRQ-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN COc1cnc(F)c(CN(C)C(C)(C)C)c1 ZINC000877607228 983956105 /nfs/dbraw/zinc/95/61/05/983956105.db2.gz BHZJEVKUSVABRQ-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN CCC[C@H](C)[N@H+]1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC001573727187 984042519 /nfs/dbraw/zinc/04/25/19/984042519.db2.gz BLZJFOLWXJNQNJ-GXFFZTMASA-N 0 1 243.322 2.454 20 0 BEADMN C[C@@H]1CN(Cc2c[nH]c3ncccc23)[C@@H](C)CO1 ZINC001137405616 1169242456 /nfs/dbraw/zinc/24/24/56/1169242456.db2.gz IBUVURVPICBGOS-WDEREUQCSA-N 0 1 245.326 2.172 20 0 BEADMN CCCCCC[C@@H](CCC)n1nnnc1CN ZINC001172386925 974731092 /nfs/dbraw/zinc/73/10/92/974731092.db2.gz FZNCJVAMXYJERA-LLVKDONJSA-N 0 1 239.367 2.443 20 0 BEADMN CC(C)OCC[C@H](C)Nc1cccnc1CN ZINC001172439504 974796088 /nfs/dbraw/zinc/79/60/88/974796088.db2.gz BPISYELSXGCMKH-NSHDSACASA-N 0 1 237.347 2.156 20 0 BEADMN CC(C)OCC[C@H](C)N(C)Cc1cnccn1 ZINC001172447498 974810881 /nfs/dbraw/zinc/81/08/81/974810881.db2.gz DGKXPSIHNBMBJP-LBPRGKRZSA-N 0 1 237.347 2.112 20 0 BEADMN CCN([C@@H](C)CCOC(C)C)[C@@H](C)C(=O)OC ZINC001172459766 974823873 /nfs/dbraw/zinc/82/38/73/974823873.db2.gz LRXLQLJYGZMADO-RYUDHWBXSA-N 0 1 245.363 2.073 20 0 BEADMN CC(C)CCC1CCN(Cc2nnc[nH]2)CC1 ZINC001327513552 972606253 /nfs/dbraw/zinc/60/62/53/972606253.db2.gz XLSVVQDXHJVXEB-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CC(C)[C@H](C(=O)O[C@H](C)c1ccoc1)N(C)C ZINC001123481104 1169342193 /nfs/dbraw/zinc/34/21/93/1169342193.db2.gz XRQKFVCAHGDFJW-ZYHUDNBSSA-N 0 1 239.315 2.470 20 0 BEADMN [O-]c1cnccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140272557 1169369346 /nfs/dbraw/zinc/36/93/46/1169369346.db2.gz APAUMGFJAYMZQS-RYUDHWBXSA-N 0 1 232.327 2.409 20 0 BEADMN CCC[C@H](C)[C@H](OCc1nn[nH]n1)C(C)C ZINC001223027651 972802877 /nfs/dbraw/zinc/80/28/77/972802877.db2.gz REQDACLOSYKURA-GXSJLCMTSA-N 0 1 226.324 2.177 20 0 BEADMN FC1(F)CC12CC(NCc1cscn1)C2 ZINC001328157229 972885856 /nfs/dbraw/zinc/88/58/56/972885856.db2.gz CZUIAUVKAZBXKI-UHFFFAOYSA-N 0 1 230.283 2.421 20 0 BEADMN CSCC[N@@H+](C)Cc1sccc1C(=O)[O-] ZINC001144680168 972933731 /nfs/dbraw/zinc/93/37/31/972933731.db2.gz LACXNUHQOQMWNE-UHFFFAOYSA-N 0 1 245.369 2.241 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001144679881 972935726 /nfs/dbraw/zinc/93/57/26/972935726.db2.gz HEPNOWWKZYJMNX-SCZZXKLOSA-N 0 1 237.324 2.431 20 0 BEADMN O=C([O-])c1ccsc1C[N@H+]1CCC[C@@H](F)C1 ZINC001144678250 972935805 /nfs/dbraw/zinc/93/58/05/972935805.db2.gz SDKYRPMDBDKUGN-MRVPVSSYSA-N 0 1 243.303 2.380 20 0 BEADMN Cc1cccc2nc(C(=O)N3CC[C@@H]3C)[nH]c21 ZINC001151983335 1169412181 /nfs/dbraw/zinc/41/21/81/1169412181.db2.gz BFTAJENKFYIIRC-VIFPVBQESA-N 0 1 229.283 2.106 20 0 BEADMN CCC(CC)C(=O)NC[C@@H](C)N(CC)CCF ZINC001151981182 1169412215 /nfs/dbraw/zinc/41/22/15/1169412215.db2.gz TYSSJJNFJKKGHH-LLVKDONJSA-N 0 1 246.370 2.219 20 0 BEADMN CCOc1ccnc(N[C@@H](COC)C2CC2)c1 ZINC001161724045 1169446040 /nfs/dbraw/zinc/44/60/40/1169446040.db2.gz YICNZBWRZYKEER-LBPRGKRZSA-N 0 1 236.315 2.317 20 0 BEADMN CN1CCOc2cc(Nc3ccncc3)ccc21 ZINC001213039168 1169449645 /nfs/dbraw/zinc/44/96/45/1169449645.db2.gz ONDWGQHLABZZLJ-UHFFFAOYSA-N 0 1 241.294 2.076 20 0 BEADMN Cn1ccc(Nc2cc3n[nH]cc3c(F)c2)n1 ZINC001215551955 970781694 /nfs/dbraw/zinc/78/16/94/970781694.db2.gz CTNBTNKAUBFNSK-UHFFFAOYSA-N 0 1 231.234 2.179 20 0 BEADMN Cc1cc(Nc2cc3[nH]ncc3c(F)c2)n(C)n1 ZINC001215552474 970788724 /nfs/dbraw/zinc/78/87/24/970788724.db2.gz OLHKKBHDHHEPNI-UHFFFAOYSA-N 0 1 245.261 2.488 20 0 BEADMN C[C@@H](Cc1ccccn1)N1C[C@H](F)C[C@H]1C ZINC001256411434 970817734 /nfs/dbraw/zinc/81/77/34/970817734.db2.gz RDYUAMRDOFKDLD-GRYCIOLGSA-N 0 1 222.307 2.445 20 0 BEADMN COC(C)(CNc1ccc2[nH]cnc2c1C)OC ZINC001170438042 970821041 /nfs/dbraw/zinc/82/10/41/970821041.db2.gz UFJDHGFAVAFUAM-UHFFFAOYSA-N 0 1 249.314 2.292 20 0 BEADMN Cc1ccc(Nc2cnc[nH]c2=O)c2cn[nH]c21 ZINC001215756007 970831449 /nfs/dbraw/zinc/83/14/49/970831449.db2.gz IITPUWCCNAZCND-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN CC(=O)[C@@H]1CCCCN1[C@H](C)Cc1ccccn1 ZINC001256421174 970826055 /nfs/dbraw/zinc/82/60/55/970826055.db2.gz IMDUPXCYCVERFR-DOMZBBRYSA-N 0 1 246.354 2.456 20 0 BEADMN Cc1ccc(Nc2ccnn2C)c2cn[nH]c21 ZINC001215754490 970829789 /nfs/dbraw/zinc/82/97/89/970829789.db2.gz WGUDUOXSUVZTSJ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1ccc(Nc2cn[nH]c(=O)c2)c2cn[nH]c21 ZINC001215756411 970831776 /nfs/dbraw/zinc/83/17/76/970831776.db2.gz PXVNDUGYRJECFZ-UHFFFAOYSA-N 0 1 241.254 2.111 20 0 BEADMN Cc1ccc(Nc2ccnnc2)c2cn[nH]c21 ZINC001215755734 970831846 /nfs/dbraw/zinc/83/18/46/970831846.db2.gz ZJPQUXJWESQMMK-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN C[C@H](Cc1ccccn1)N1CCOC[C@@H]1C1CC1 ZINC001256427628 970834952 /nfs/dbraw/zinc/83/49/52/970834952.db2.gz XNZSSONYLOYWQJ-IUODEOHRSA-N 0 1 246.354 2.123 20 0 BEADMN CN(Cc1cc[nH]c1)Cc1cccnc1 ZINC000183661442 970841665 /nfs/dbraw/zinc/84/16/65/970841665.db2.gz CRBZTPMIALFXAJ-UHFFFAOYSA-N 0 1 201.273 2.042 20 0 BEADMN CCOC1CCC(N(C)Cc2ccon2)CC1 ZINC001256443894 970846114 /nfs/dbraw/zinc/84/61/14/970846114.db2.gz HJRCOTAYGAJWNY-UHFFFAOYSA-N 0 1 238.331 2.454 20 0 BEADMN CC(C)Cc1nnc(C23CCCN2CCC3)o1 ZINC001256457747 970846879 /nfs/dbraw/zinc/84/68/79/970846879.db2.gz ULVXKRDDIGMGQL-UHFFFAOYSA-N 0 1 235.331 2.353 20 0 BEADMN CC[C@@H](OCCN1CCN(C)CC1)C(C)(C)C ZINC001224551226 973768164 /nfs/dbraw/zinc/76/81/64/973768164.db2.gz DMVMMHPRIPQPBG-CYBMUJFWSA-N 0 1 242.407 2.075 20 0 BEADMN CC[C@@H]1[C@@H](CO)CCN1CC=C(Cl)Cl ZINC000403320163 970907229 /nfs/dbraw/zinc/90/72/29/970907229.db2.gz ANJFPYLBVJJURE-RKDXNWHRSA-N 0 1 238.158 2.398 20 0 BEADMN C[C@H]1C[C@@H]1c1nnc(C23CCCN2CCC3)o1 ZINC001256688980 970919767 /nfs/dbraw/zinc/91/97/67/970919767.db2.gz BSHAQLNCCDMJRU-UWVGGRQHSA-N 0 1 233.315 2.278 20 0 BEADMN CN(C)c1cc(F)cc(Nc2nnco2)c1 ZINC001216157471 970961152 /nfs/dbraw/zinc/96/11/52/970961152.db2.gz OGLKDHJVMJXMJR-UHFFFAOYSA-N 0 1 222.223 2.018 20 0 BEADMN C[C@@H](Cc1ccncc1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001256735489 970963891 /nfs/dbraw/zinc/96/38/91/970963891.db2.gz BMSAZRQTZOGUPU-PYJNHQTQSA-N 0 1 234.318 2.302 20 0 BEADMN Cc1c(F)cncc1Nc1cncn1C ZINC001216192076 970976884 /nfs/dbraw/zinc/97/68/84/970976884.db2.gz MLZMZFXCBZBHEC-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN C[C@@H](Cc1ccncc1)N1CCC[C@H](F)C1 ZINC001256742726 970973988 /nfs/dbraw/zinc/97/39/88/970973988.db2.gz PDZSCIXNXJXROI-AAEUAGOBSA-N 0 1 222.307 2.447 20 0 BEADMN CN(C)Cc1cccc(Nc2cnccn2)c1F ZINC001216227078 970993355 /nfs/dbraw/zinc/99/33/55/970993355.db2.gz PKROFHWZXUJHBR-UHFFFAOYSA-N 0 1 246.289 2.421 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256809371 970994173 /nfs/dbraw/zinc/99/41/73/970994173.db2.gz ZDKJPIWPBJXBQX-HUUCEWRRSA-N 0 1 247.338 2.428 20 0 BEADMN [CH2]CC[N@@H+](CCN)C1CCC(CC)CC1 ZINC001256868522 971001950 /nfs/dbraw/zinc/00/19/50/971001950.db2.gz VPRCIEDPIGIAMO-UHFFFAOYSA-N 0 1 211.373 2.440 20 0 BEADMN C[C@H](O)[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000403672317 971012702 /nfs/dbraw/zinc/01/27/02/971012702.db2.gz VGKJZCLFQPZDAO-YUMQZZPRSA-N 0 1 224.131 2.008 20 0 BEADMN c1nc2cccc(-c3cccc4nc[nH]c43)n2n1 ZINC001243932467 971028145 /nfs/dbraw/zinc/02/81/45/971028145.db2.gz OSGHLGIUNWOSCJ-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COc1ccc2nccc(C3=CNCCC3)c2n1 ZINC001243950523 971043562 /nfs/dbraw/zinc/04/35/62/971043562.db2.gz XQOVTGJGZBAXEM-UHFFFAOYSA-N 0 1 241.294 2.363 20 0 BEADMN c1cc2nccnc2c(C2=CNCCC2)c1 ZINC001243953019 971051527 /nfs/dbraw/zinc/05/15/27/971051527.db2.gz RZKLWNGJCNHNTO-UHFFFAOYSA-N 0 1 211.268 2.354 20 0 BEADMN CC[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)C1CC1 ZINC000323972434 971069367 /nfs/dbraw/zinc/06/93/67/971069367.db2.gz HXDTWLAOKYXRFU-JTQLQIEISA-N 0 1 220.272 2.380 20 0 BEADMN Cc1coc(CNC2C[C@@H](C)O[C@H](C)C2)n1 ZINC001257070986 971086565 /nfs/dbraw/zinc/08/65/65/971086565.db2.gz UIOADLRDGOQKFN-NXEZZACHSA-N 0 1 224.304 2.029 20 0 BEADMN C[C@H]1CC(NC2(c3ncccn3)CC2)C[C@H](C)O1 ZINC001257083099 971098004 /nfs/dbraw/zinc/09/80/04/971098004.db2.gz FFMYMQBFIPHDQE-QWRGUYRKSA-N 0 1 247.342 2.011 20 0 BEADMN Nc1c(Cl)cccc1Nc1ccncc1 ZINC001216524539 971116041 /nfs/dbraw/zinc/11/60/41/971116041.db2.gz MDYBJEHTEFEVPL-UHFFFAOYSA-N 0 1 219.675 2.483 20 0 BEADMN CCCOc1ccc(Nc2ccncc2)cn1 ZINC001216584041 971128957 /nfs/dbraw/zinc/12/89/57/971128957.db2.gz HOGYYMADSHHRBM-UHFFFAOYSA-N 0 1 229.283 2.431 20 0 BEADMN O[C@@H](CNCc1ccns1)c1ccsc1 ZINC000404437276 971163664 /nfs/dbraw/zinc/16/36/64/971163664.db2.gz DGYXCQMCQFYEOF-JTQLQIEISA-N 0 1 240.353 2.028 20 0 BEADMN COC(=O)c1ccc(C)c(Nc2cncn2C)c1 ZINC001211251162 1169531977 /nfs/dbraw/zinc/53/19/77/1169531977.db2.gz YKHFNPFINCCYBM-UHFFFAOYSA-N 0 1 245.282 2.259 20 0 BEADMN Cc1ccc(O)c(Nc2cncn2C)c1 ZINC001211251004 1169532287 /nfs/dbraw/zinc/53/22/87/1169532287.db2.gz TUTHEVITDGHGHV-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN Cn1cncc1Nc1cccc2[nH]c(=O)ccc12 ZINC001211251207 1169532558 /nfs/dbraw/zinc/53/25/58/1169532558.db2.gz VRIRZZMABLMVFG-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN CCC(CC)[NH2+]CC(=O)c1ccc([O-])cc1 ZINC001257294252 971180085 /nfs/dbraw/zinc/18/00/85/971180085.db2.gz NTTVQSRLZJNVCD-UHFFFAOYSA-N 0 1 221.300 2.353 20 0 BEADMN Cc1nc2ccc(Nc3ccnn3C)cc2[nH]1 ZINC001213070380 1169533431 /nfs/dbraw/zinc/53/34/31/1169533431.db2.gz NIJKNXMPFWFDQM-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN O[C@@H](CN1CCC(F)(F)CC1)CC(F)(F)F ZINC000405169412 1169546381 /nfs/dbraw/zinc/54/63/81/1169546381.db2.gz RFCKQGXDUYTNST-SSDOTTSWSA-N 0 1 247.207 2.031 20 0 BEADMN CCC[C@@H](C)N1CCN(C(C)(C)C)C(=O)C1 ZINC001257326066 971229468 /nfs/dbraw/zinc/22/94/68/971229468.db2.gz SSMRYKPNTZTRGD-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CCCC(CCC)Nc1nccnc1CN ZINC001257332772 971237525 /nfs/dbraw/zinc/23/75/25/971237525.db2.gz IQDIUOGEJRZWQT-UHFFFAOYSA-N 0 1 222.336 2.316 20 0 BEADMN NCc1nc2cnccc2n1C1CCCC1 ZINC001257349053 971262682 /nfs/dbraw/zinc/26/26/82/971262682.db2.gz MXZRSLPUBKIOCH-UHFFFAOYSA-N 0 1 216.288 2.005 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCC2CC2)[C@@H]1C(=O)[O-] ZINC000405952753 971318513 /nfs/dbraw/zinc/31/85/13/971318513.db2.gz HKGSSVMXDZINEE-JQWIXIFHSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](CCCC1CC1)C1CC1 ZINC000405992378 971325845 /nfs/dbraw/zinc/32/58/45/971325845.db2.gz VPDQWAVUQBZWJH-VIFPVBQESA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H]1CC[N@@H+](CCCC2CC2)[C@H](C(=O)[O-])C1 ZINC000405970816 971326026 /nfs/dbraw/zinc/32/60/26/971326026.db2.gz QXZSFAZCPOQVJM-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)Cc1nnc([C@H]2CC[C@H](C)CN2)o1 ZINC001217702465 971342620 /nfs/dbraw/zinc/34/26/20/971342620.db2.gz KQLVKWAJXNADOZ-VHSXEESVSA-N 0 1 223.320 2.329 20 0 BEADMN CCc1nnc([C@H](Cc2ccccc2)NC)o1 ZINC001217703078 971344608 /nfs/dbraw/zinc/34/46/08/971344608.db2.gz JNWXAIDVXXEGIC-NSHDSACASA-N 0 1 231.299 2.135 20 0 BEADMN CN[C@H](CC(C)C)c1nnc([C@H]2C[C@@H]2C)o1 ZINC001217715778 971353864 /nfs/dbraw/zinc/35/38/64/971353864.db2.gz ZCDQGEFJGBBNCO-LPEHRKFASA-N 0 1 223.320 2.500 20 0 BEADMN Cc1ccc(-c2nnc([C@H]3CCN3)o2)cc1 ZINC001217717333 971355230 /nfs/dbraw/zinc/35/52/30/971355230.db2.gz ARLMANPVFUPYMS-SNVBAGLBSA-N 0 1 215.256 2.079 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nnc([C@@H]2C[C@H]2C)o1 ZINC001217723634 971362830 /nfs/dbraw/zinc/36/28/30/971362830.db2.gz SYGLALPKJVIAIS-JLIMGVALSA-N 0 1 223.320 2.500 20 0 BEADMN CN[C@H](c1nnc([C@@H]2C[C@@H]2C)o1)C(C)(C)C ZINC001217737466 971377836 /nfs/dbraw/zinc/37/78/36/971377836.db2.gz ZETYRVZWGQEZHM-DJLDLDEBSA-N 0 1 223.320 2.500 20 0 BEADMN CN[C@H](c1nnc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC001217737468 971378176 /nfs/dbraw/zinc/37/81/76/971378176.db2.gz ZETYRVZWGQEZHM-IWSPIJDZSA-N 0 1 223.320 2.500 20 0 BEADMN OC[C@@H]1C[C@H](F)CN1Cc1c[nH]c2ccccc12 ZINC001204041698 971378343 /nfs/dbraw/zinc/37/83/43/971378343.db2.gz WWADSUHOTICNPX-RYUDHWBXSA-N 0 1 248.301 2.073 20 0 BEADMN CC(C)(C)N1CCN(C2CCCCC2)CC1=O ZINC001257459513 971381924 /nfs/dbraw/zinc/38/19/24/971381924.db2.gz WNYQNDCUILBSLR-UHFFFAOYSA-N 0 1 238.375 2.262 20 0 BEADMN CCCc1nnc(-c2cnc([C@H](C)N)s2)o1 ZINC001217756456 971385601 /nfs/dbraw/zinc/38/56/01/971385601.db2.gz UOGSGWZARVHOCW-LURJTMIESA-N 0 1 238.316 2.165 20 0 BEADMN Cc1nc(CN[C@@H]2CCCSC2)c(C)o1 ZINC001257655174 971461128 /nfs/dbraw/zinc/46/11/28/971461128.db2.gz RLNUHTCERWKHKT-SNVBAGLBSA-N 0 1 226.345 2.277 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCCSC2)n(C)n1 ZINC001257677734 971483373 /nfs/dbraw/zinc/48/33/73/971483373.db2.gz ILKVDJHGZAQVJE-NSHDSACASA-N 0 1 239.388 2.056 20 0 BEADMN CCCN(CC(=O)OCC)[C@H]1CCCSC1 ZINC001257679457 971484881 /nfs/dbraw/zinc/48/48/81/971484881.db2.gz DCYYVIUVYZSJJO-NSHDSACASA-N 0 1 245.388 2.157 20 0 BEADMN CN(Cc1ccno1)[C@@H]1CCCSC1 ZINC001257683235 971490117 /nfs/dbraw/zinc/49/01/17/971490117.db2.gz MLERCWMPIPJSKE-SECBINFHSA-N 0 1 212.318 2.002 20 0 BEADMN CCc1nc(NC(=O)CC(C)=C(C)C)n[nH]1 ZINC001330247782 974185000 /nfs/dbraw/zinc/18/50/00/974185000.db2.gz DDDMCCGEDUAHOA-UHFFFAOYSA-N 0 1 222.292 2.052 20 0 BEADMN CCc1n[nH]c(NC(=O)CC(C)=C(C)C)n1 ZINC001330247782 974185007 /nfs/dbraw/zinc/18/50/07/974185007.db2.gz DDDMCCGEDUAHOA-UHFFFAOYSA-N 0 1 222.292 2.052 20 0 BEADMN CC(C)OC1CCC(N2CCO[C@H]3C[C@H]32)CC1 ZINC001257884636 971519467 /nfs/dbraw/zinc/51/94/67/971519467.db2.gz YWCTWLJKTIPUQX-PQAZSJQKSA-N 0 1 239.359 2.196 20 0 BEADMN CC(C)OC1CN(C2CCC3(COC3)CC2)C1 ZINC001257914736 971541442 /nfs/dbraw/zinc/54/14/42/971541442.db2.gz XIAGMFSRYPYTQQ-UHFFFAOYSA-N 0 1 239.359 2.055 20 0 BEADMN FCCN[C@H]1COc2ccc(Cl)cc2C1 ZINC001257947745 971545948 /nfs/dbraw/zinc/54/59/48/971545948.db2.gz LMEUHVIFBZBMOT-SNVBAGLBSA-N 0 1 229.682 2.203 20 0 BEADMN CC[C@@H](COc1[nH]c(=O)nc2ccccc21)OC ZINC001226976692 1169616606 /nfs/dbraw/zinc/61/66/06/1169616606.db2.gz FIFGJTLJKOZYPA-VIFPVBQESA-N 0 1 248.282 2.139 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3ncc(F)cn3)C[C@@H]21 ZINC001170709662 971611144 /nfs/dbraw/zinc/61/11/44/971611144.db2.gz CBLGNAXXWZDCCO-JGPRNRPPSA-N 0 1 235.306 2.140 20 0 BEADMN Cc1cccnc1CNCc1cccnc1C ZINC000106480762 971611490 /nfs/dbraw/zinc/61/14/90/971611490.db2.gz WDHNVEGQQJJPCX-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN Cc1cnc(CN[C@H]2C[C@@H]3[C@H](C2)C3(C)C)nc1 ZINC001170711958 971615784 /nfs/dbraw/zinc/61/57/84/971615784.db2.gz INNQVAGXCFWFIU-ZSBIGDGJSA-N 0 1 231.343 2.309 20 0 BEADMN CC1(C)[C@@H]2C[C@H](NCc3ccon3)C[C@@H]21 ZINC001170715405 971632028 /nfs/dbraw/zinc/63/20/28/971632028.db2.gz HLVMAVPQPCKUGI-JGPRNRPPSA-N 0 1 206.289 2.199 20 0 BEADMN CC1(C)[C@@H]2C[C@@H](NCc3ccon3)C[C@@H]21 ZINC001170715406 971631488 /nfs/dbraw/zinc/63/14/88/971631488.db2.gz HLVMAVPQPCKUGI-RTCCRHLQSA-N 0 1 206.289 2.199 20 0 BEADMN C[C@H]1CCC[N@@H+](CC2(C)CCC2)[C@H]1C(=O)[O-] ZINC000309781024 950691885 /nfs/dbraw/zinc/69/18/85/950691885.db2.gz RDEUTMLNIPYFQQ-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN CC1(C)CCC[C@H](Oc2n[nH]c3c2CNCC3)C1 ZINC001218350571 971721189 /nfs/dbraw/zinc/72/11/89/971721189.db2.gz MOTJQRBXDNMXIG-JTQLQIEISA-N 0 1 249.358 2.403 20 0 BEADMN CC1(C)[C@@H]2C[C@H](N3CCn4cncc4C3)C[C@@H]21 ZINC001170761640 971741779 /nfs/dbraw/zinc/74/17/79/971741779.db2.gz OABJISCZEXKNKQ-LMKPVCQUSA-N 0 1 231.343 2.133 20 0 BEADMN Cc1occc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397487831 951564281 /nfs/dbraw/zinc/56/42/81/951564281.db2.gz JPFHXKHJWFMATO-JOYOIKCWSA-N 0 1 237.299 2.273 20 0 BEADMN Cn1ncc2c1CN([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170765912 971757671 /nfs/dbraw/zinc/75/76/71/971757671.db2.gz YHLLEYOFGOSMOC-XYYAHUGASA-N 0 1 245.370 2.213 20 0 BEADMN CCCC=Nc1c(Cl)ncnc1OC ZINC001170766753 971762947 /nfs/dbraw/zinc/76/29/47/971762947.db2.gz HBWFXJGQDDANKQ-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN CCC1(CC)CN(Cc2cccnc2N)C1 ZINC000309698308 971769937 /nfs/dbraw/zinc/76/99/37/971769937.db2.gz FELSFHKJSHRFPD-UHFFFAOYSA-N 0 1 219.332 2.286 20 0 BEADMN CCCC=Nc1ncc(C(=O)OC)cc1OC ZINC001170771331 971785887 /nfs/dbraw/zinc/78/58/87/971785887.db2.gz BUYQNJHPLWFUAT-AATRIKPKSA-N 0 1 236.271 2.212 20 0 BEADMN Cc1nc(CN2C[C@H](C)CC23CC3)co1 ZINC001206081894 971795906 /nfs/dbraw/zinc/79/59/06/971795906.db2.gz ULPJESSQTDPUGC-SECBINFHSA-N 0 1 206.289 2.357 20 0 BEADMN Cc1cccc2nc(OC[C@H]3C[C@@H](O)C3)[nH]c21 ZINC001218432631 971811584 /nfs/dbraw/zinc/81/15/84/971811584.db2.gz YLNWIGXEWDXXHV-AOOOYVTPSA-N 0 1 232.283 2.021 20 0 BEADMN Cc1nc2ccc(OC[C@H]3C[C@@H](O)C3)cc2[nH]1 ZINC001218433322 971812853 /nfs/dbraw/zinc/81/28/53/971812853.db2.gz ZYXNCRRRTLVYIL-AOOOYVTPSA-N 0 1 232.283 2.021 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@@H](C)CCO[C@H](C)CC ZINC001172326174 974537609 /nfs/dbraw/zinc/53/76/09/974537609.db2.gz AOENJAQDMDXYHH-QWHCGFSZSA-N 0 1 229.388 2.065 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@@H](C)CCO[C@H](C)CC ZINC001172326174 974537617 /nfs/dbraw/zinc/53/76/17/974537617.db2.gz AOENJAQDMDXYHH-QWHCGFSZSA-N 0 1 229.388 2.065 20 0 BEADMN F[C@@H]1CN([C@H]2CCCOCC2)CCC1(F)F ZINC001170810123 971874532 /nfs/dbraw/zinc/87/45/32/971874532.db2.gz XAKJKFQHZFPFTE-VHSXEESVSA-N 0 1 237.265 2.235 20 0 BEADMN F[C@H]1CN([C@@H]2CCCOCC2)CCC1(F)F ZINC001170810124 971874648 /nfs/dbraw/zinc/87/46/48/971874648.db2.gz XAKJKFQHZFPFTE-ZJUUUORDSA-N 0 1 237.265 2.235 20 0 BEADMN C[C@H]1CCN1Cc1cnc(-c2cccnc2)o1 ZINC001232133460 1169682243 /nfs/dbraw/zinc/68/22/43/1169682243.db2.gz ZXUOBOGGIHNSJL-JTQLQIEISA-N 0 1 229.283 2.331 20 0 BEADMN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@H](C)O ZINC000309901888 971878588 /nfs/dbraw/zinc/87/85/88/971878588.db2.gz IBJKFVOXPDLGFG-VGMNWLOBSA-N 0 1 229.270 2.385 20 0 BEADMN Cc1cc(N(C)C)ncc1N[C@H]1CCOC[C@@H]1C ZINC001170815944 971894475 /nfs/dbraw/zinc/89/44/75/971894475.db2.gz AGOGDVORTVUWGY-RYUDHWBXSA-N 0 1 249.358 2.293 20 0 BEADMN CC[C@@H]1[C@H](C)CC[N@H+]1CCCCC(=O)[O-] ZINC000383824550 971897146 /nfs/dbraw/zinc/89/71/46/971897146.db2.gz HSIOYQPGRUNWBW-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCC(CC)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001135551218 971917073 /nfs/dbraw/zinc/91/70/73/971917073.db2.gz XOASZYGLGMWWAA-SECBINFHSA-N 0 1 249.358 2.453 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCO[C@H](C)C1 ZINC001172328063 974588721 /nfs/dbraw/zinc/58/87/21/974588721.db2.gz ARCMYQFWNIQNIZ-FRRDWIJNSA-N 0 1 229.364 2.301 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)n1c(C)cnc1CN ZINC001172331920 974594330 /nfs/dbraw/zinc/59/43/30/974594330.db2.gz ZQMGFBHGTPDHLL-PWSUYJOCSA-N 0 1 239.363 2.416 20 0 BEADMN Cc1cnc(NCCC2CCOCC2)c(N)c1 ZINC000310286945 971968047 /nfs/dbraw/zinc/96/80/47/971968047.db2.gz JCQFMOZCKIDVLV-UHFFFAOYSA-N 0 1 235.331 2.201 20 0 BEADMN CC[C@](N)(CO)Nc1cc(C)c2ncccc2c1 ZINC001170861788 971986110 /nfs/dbraw/zinc/98/61/10/971986110.db2.gz DMYGCJFDIQYGHI-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC[N@@H+](CCC1CC1)C/C(C)=C\C(=O)[O-] ZINC000385234944 971989074 /nfs/dbraw/zinc/98/90/74/971989074.db2.gz UDRNUJNYBLHOMG-NTMALXAHSA-N 0 1 211.305 2.139 20 0 BEADMN CC[C@](N)(CO)Nc1ccc(C(C)(C)C)cc1 ZINC001170864219 971997638 /nfs/dbraw/zinc/99/76/38/971997638.db2.gz GMONQKOVVBGCBN-CQSZACIVSA-N 0 1 236.359 2.453 20 0 BEADMN CC[C@@](N)(CO)Nc1ccc(C(C)(C)C)cc1 ZINC001170864218 971999159 /nfs/dbraw/zinc/99/91/59/971999159.db2.gz GMONQKOVVBGCBN-AWEZNQCLSA-N 0 1 236.359 2.453 20 0 BEADMN CC[C@](N)(CO)Nc1ccc2c(C)ccnc2c1 ZINC001170864078 971999411 /nfs/dbraw/zinc/99/94/11/971999411.db2.gz RBYSBZRNCDDSGQ-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@](N)(CO)Nc1ccc(C)c(SC)c1 ZINC001170865649 972000409 /nfs/dbraw/zinc/00/04/09/972000409.db2.gz GWSCFNFIKGIRJD-GFCCVEGCSA-N 0 1 240.372 2.186 20 0 BEADMN CC[C@](N)(CO)Nc1cccc(C(F)(F)F)c1 ZINC001170865998 972005059 /nfs/dbraw/zinc/00/50/59/972005059.db2.gz RZQKVTMBXVIOAU-SNVBAGLBSA-N 0 1 248.248 2.175 20 0 BEADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC2(C)CC2)C1 ZINC000687301090 954615451 /nfs/dbraw/zinc/61/54/51/954615451.db2.gz LYTWEXSOKPJPQN-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC2(C)CC2)C1 ZINC000687301091 954615766 /nfs/dbraw/zinc/61/57/66/954615766.db2.gz LYTWEXSOKPJPQN-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN Oc1cc(F)cc(-c2cccc3[nH]nnc32)c1 ZINC001241271069 1169714514 /nfs/dbraw/zinc/71/45/14/1169714514.db2.gz KMTVILBVLPHXQD-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711490585 955038743 /nfs/dbraw/zinc/03/87/43/955038743.db2.gz OBFJIAQPDMNTBO-NSHDSACASA-N 0 1 237.274 2.176 20 0 BEADMN c1cc(CN2CC3(CCC3)C2)cc2c1OCO2 ZINC001204051077 972081918 /nfs/dbraw/zinc/08/19/18/972081918.db2.gz GWXMOLPUOHAQDX-UHFFFAOYSA-N 0 1 231.295 2.401 20 0 BEADMN CCCCCc1cc(=O)n(Cc2cncnc2)[nH]1 ZINC001245945782 972107279 /nfs/dbraw/zinc/10/72/79/972107279.db2.gz ZTJBVTNYXFIDGA-UHFFFAOYSA-N 0 1 246.314 2.160 20 0 BEADMN [CH2]CC[N@H+](CCN)[C@H]1CCc2cccc(F)c2C1 ZINC001170971924 972194302 /nfs/dbraw/zinc/19/43/02/972194302.db2.gz OHXAOIFABVOELG-ZDUSSCGKSA-N 0 1 249.353 2.168 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H]1CCc2cccc(F)c2C1 ZINC001170971924 972194306 /nfs/dbraw/zinc/19/43/06/972194306.db2.gz OHXAOIFABVOELG-ZDUSSCGKSA-N 0 1 249.353 2.168 20 0 BEADMN c1cncc(C2CN(C[C@H]3CCCCO3)C2)c1 ZINC001207960744 956898346 /nfs/dbraw/zinc/89/83/46/956898346.db2.gz UOQXETJYEKZCJG-CQSZACIVSA-N 0 1 232.327 2.050 20 0 BEADMN C[C@]1(F)CCN(CCCn2cccn2)C[C@H]1F ZINC001208080169 956936789 /nfs/dbraw/zinc/93/67/89/956936789.db2.gz AWYWZDUGDZSBII-NEPJUHHUSA-N 0 1 243.301 2.045 20 0 BEADMN CN(C1COC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171001802 972231252 /nfs/dbraw/zinc/23/12/52/972231252.db2.gz RGPYNXDJEFVODM-NSHDSACASA-N 0 1 235.302 2.014 20 0 BEADMN CC/C=C\CCCN1CC(=O)N(CC)C[C@H]1C ZINC001208137211 957005903 /nfs/dbraw/zinc/00/59/03/957005903.db2.gz FKOHOWUIRDHXTL-FMFIFOJESA-N 0 1 238.375 2.285 20 0 BEADMN CCCOC1CN(CC[C@H](C)SC)C1 ZINC001208143723 957015780 /nfs/dbraw/zinc/01/57/80/957015780.db2.gz UBXKKXOPIGRUMJ-JTQLQIEISA-N 0 1 217.378 2.239 20 0 BEADMN Cc1cnc(F)c(Nc2cncn2C)c1 ZINC001211498467 957059947 /nfs/dbraw/zinc/05/99/47/957059947.db2.gz MHUWYJQGQLHZKR-UHFFFAOYSA-N 0 1 206.224 2.006 20 0 BEADMN CC1=C[C@H](C)[C@@H](CN2CCn3nncc3C2)CC1 ZINC001208182871 957068974 /nfs/dbraw/zinc/06/89/74/957068974.db2.gz VTTORSOOBNCMGG-QWHCGFSZSA-N 0 1 246.358 2.086 20 0 BEADMN CN1CCC(=Nc2ncc3ccccc3n2)CC1 ZINC001208719909 957134809 /nfs/dbraw/zinc/13/48/09/957134809.db2.gz WOCRWAJRTIUHSI-UHFFFAOYSA-N 0 1 240.310 2.261 20 0 BEADMN CCN1CCN(CC2(C)CCCCC2)CC1=O ZINC001208901623 957229642 /nfs/dbraw/zinc/22/96/42/957229642.db2.gz CJOASXSTDGVXLC-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN Cc1nc2cnc(N(C)C[C@H]3CC3(C)C)nc2[nH]1 ZINC001167093091 957281096 /nfs/dbraw/zinc/28/10/96/957281096.db2.gz UCZQXFKVUFUMTL-SECBINFHSA-N 0 1 245.330 2.095 20 0 BEADMN C[C@H](SCC[C@@H]1CCCC[N@H+]1C)C(=O)[O-] ZINC000037414885 957281751 /nfs/dbraw/zinc/28/17/51/957281751.db2.gz DUMJRPOFQQZHJI-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN COCCCN1CCCC(F)(F)[C@@H](F)C1 ZINC001209049096 957298523 /nfs/dbraw/zinc/29/85/23/957298523.db2.gz ZNVBPUDIHCKTNE-VIFPVBQESA-N 0 1 225.254 2.092 20 0 BEADMN C[N@H+](Cc1ccno1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918845 957336958 /nfs/dbraw/zinc/33/69/58/957336958.db2.gz LVGBOEOGVLOKLB-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN C[N@@H+](Cc1ccno1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918845 957336969 /nfs/dbraw/zinc/33/69/69/957336969.db2.gz LVGBOEOGVLOKLB-UHFFFAOYSA-N 0 1 246.266 2.005 20 0 BEADMN CCn1ccnc1NCc1cccc2c1OCC2 ZINC000692987235 957358489 /nfs/dbraw/zinc/35/84/89/957358489.db2.gz WWHGHCCXLQWXDR-UHFFFAOYSA-N 0 1 243.310 2.450 20 0 BEADMN CCC(CC)N(CC)c1ncc2c(n1)CNC2 ZINC001167111680 957392841 /nfs/dbraw/zinc/39/28/41/957392841.db2.gz VNYRFIYHDAEEIP-UHFFFAOYSA-N 0 1 234.347 2.095 20 0 BEADMN C[N@@H+](Cc1ccco1)C1(C(=O)[O-])CCCCC1 ZINC000041875643 957400456 /nfs/dbraw/zinc/40/04/56/957400456.db2.gz BNMGECADEBQWPS-UHFFFAOYSA-N 0 1 237.299 2.499 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2ccncc2)C1 ZINC001209426567 957449898 /nfs/dbraw/zinc/44/98/98/957449898.db2.gz DPSRFOWJZPYNNK-XBFCOCLRSA-N 0 1 232.327 2.111 20 0 BEADMN C[C@@H](C[N@@H+](C)CCc1ccc(F)cc1)C(=O)[O-] ZINC000049829707 957480729 /nfs/dbraw/zinc/48/07/29/957480729.db2.gz FIJMYPHSNXANCU-JTQLQIEISA-N 0 1 239.290 2.021 20 0 BEADMN COCCN(C)Cc1cnc(Cl)cc1C ZINC001209627936 957515056 /nfs/dbraw/zinc/51/50/56/957515056.db2.gz LLBIJTLTKBOPPE-UHFFFAOYSA-N 0 1 228.723 2.122 20 0 BEADMN Cc1cnccc1CC[N@H+]1CCn2cccc2C1 ZINC000932525961 957518469 /nfs/dbraw/zinc/51/84/69/957518469.db2.gz GUELOHLDIYQBSL-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN Cc1cnccc1CCN1CCn2cccc2C1 ZINC000932525961 957518477 /nfs/dbraw/zinc/51/84/77/957518477.db2.gz GUELOHLDIYQBSL-UHFFFAOYSA-N 0 1 241.338 2.250 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(F)c(CO)c1 ZINC001209874191 957549447 /nfs/dbraw/zinc/54/94/47/957549447.db2.gz ACVCLVFHBWCEEO-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN Cc1ccc(N2CC[C@H]3OCC[C@H]3C2)nc1C ZINC001167217405 957552310 /nfs/dbraw/zinc/55/23/10/957552310.db2.gz YJQJQOKSUVUGMV-QWHCGFSZSA-N 0 1 232.327 2.314 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011829 957555907 /nfs/dbraw/zinc/55/59/07/957555907.db2.gz DYENUEMNILMSRX-ZDUSSCGKSA-N 0 1 247.294 2.068 20 0 BEADMN CCCC(=O)NC[C@H]1CCCN1C/C=C\Cl ZINC001266443526 957561183 /nfs/dbraw/zinc/56/11/83/957561183.db2.gz PCUPRIDDTVOSIX-MEQVVJDKSA-N 0 1 244.766 2.120 20 0 BEADMN COc1cc(Cl)ccc1-n1cncc1N ZINC001209909305 957561217 /nfs/dbraw/zinc/56/12/17/957561217.db2.gz PHCKPAYHDGYQPI-UHFFFAOYSA-N 0 1 223.663 2.117 20 0 BEADMN CC[N@@H+](Cc1ccsc1)C(C)(C)C(=O)[O-] ZINC000061174976 957576694 /nfs/dbraw/zinc/57/66/94/957576694.db2.gz PDGIPBRNNZOYCW-UHFFFAOYSA-N 0 1 227.329 2.433 20 0 BEADMN CCC[C@H](C)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000061171592 957576383 /nfs/dbraw/zinc/57/63/83/957576383.db2.gz BQZNMNSGBFVCDV-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN CC[N@@H+](CCC(C)C)C(C)(C)C(=O)[O-] ZINC000061174371 957576917 /nfs/dbraw/zinc/57/69/17/957576917.db2.gz VKLSJXZQNYIYJC-UHFFFAOYSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1ccc(Nc2cnc(N)cc2C)nc1 ZINC001209962193 957586849 /nfs/dbraw/zinc/58/68/49/957586849.db2.gz SNNWODDSUXCKJH-UHFFFAOYSA-N 0 1 214.272 2.419 20 0 BEADMN Cc1cnc(Nc2cnc(N)cc2C)c(Cl)n1 ZINC001209968686 957591039 /nfs/dbraw/zinc/59/10/39/957591039.db2.gz XKVIYDDUUDUDBN-UHFFFAOYSA-N 0 1 249.705 2.468 20 0 BEADMN C[C@@H]1CCC[N@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC000062201707 957601202 /nfs/dbraw/zinc/60/12/02/957601202.db2.gz ICUXOCTUTWUXEQ-MRVPVSSYSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC000062201707 957601208 /nfs/dbraw/zinc/60/12/08/957601208.db2.gz ICUXOCTUTWUXEQ-MRVPVSSYSA-N 0 1 240.328 2.073 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2F)C1 ZINC000062753272 957608785 /nfs/dbraw/zinc/60/87/85/957608785.db2.gz PQLYZJTYJWOBPO-VIFPVBQESA-N 0 1 237.274 2.366 20 0 BEADMN Cc1[nH+]ccn1Cc1ccc(C(=O)[O-])cc1F ZINC000062757455 957610218 /nfs/dbraw/zinc/61/02/18/957610218.db2.gz KFRPNSJCOSKSCI-UHFFFAOYSA-N 0 1 234.230 2.077 20 0 BEADMN CC[C@](C)(N)c1nc(-c2cnc(C)cc2C)no1 ZINC000397396243 957620244 /nfs/dbraw/zinc/62/02/44/957620244.db2.gz CMVQOTHQNKWAQR-ZDUSSCGKSA-N 0 1 246.314 2.332 20 0 BEADMN C[C@@H]1C[N@@H+](CCSC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000390408974 972282323 /nfs/dbraw/zinc/28/23/23/972282323.db2.gz DRHBEUAJJWYCRI-NXEZZACHSA-N 0 1 245.388 2.171 20 0 BEADMN Cc1nsc(Nc2cnn(C(F)(F)F)c2)n1 ZINC001210357206 957731813 /nfs/dbraw/zinc/73/18/13/957731813.db2.gz ARAYQRUQGCZGSP-UHFFFAOYSA-N 0 1 249.221 2.263 20 0 BEADMN Cc1cccc(CCN(C)Cc2c[nH]cn2)c1 ZINC001136871630 972289640 /nfs/dbraw/zinc/28/96/40/972289640.db2.gz XYTAUXRTCGFYEH-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN Fc1ccc2c(c1)CN(Cc1cnc[nH]1)C2 ZINC001136871530 972290669 /nfs/dbraw/zinc/29/06/69/972290669.db2.gz RJKGARUBLBKWFS-UHFFFAOYSA-N 0 1 217.247 2.065 20 0 BEADMN CCN(Cc1nnc[nH]1)[C@H](C)c1cccc(O)c1 ZINC001347105682 957774400 /nfs/dbraw/zinc/77/44/00/957774400.db2.gz ZRSNWVLJXGSJDT-SNVBAGLBSA-N 0 1 246.314 2.093 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCc2sccc2C1 ZINC000082604341 957797237 /nfs/dbraw/zinc/79/72/37/957797237.db2.gz JBLAKVLANZEEIW-RMKNXTFCSA-N 0 1 237.324 2.137 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2cccc(Cl)c2C1 ZINC000082791531 957804962 /nfs/dbraw/zinc/80/49/62/957804962.db2.gz ABDKQVJEVBWACI-MRVPVSSYSA-N 0 1 239.702 2.171 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412158 957824933 /nfs/dbraw/zinc/82/49/33/957824933.db2.gz OLMZMIAEVSFKRY-HOSYDEDBSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000083412171 957825851 /nfs/dbraw/zinc/82/58/51/957825851.db2.gz OLMZMIAEVSFKRY-JBLDHEPKSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(CC[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000084078778 957852790 /nfs/dbraw/zinc/85/27/90/957852790.db2.gz NPZSFLKVKJNDNE-CQSZACIVSA-N 0 1 247.338 2.252 20 0 BEADMN N[C@H](C(=O)NC1(CC2CC2)CC1)c1ccccc1 ZINC001221212490 972300334 /nfs/dbraw/zinc/30/03/34/972300334.db2.gz LLOCCNGDSHTGBW-ZDUSSCGKSA-N 0 1 244.338 2.135 20 0 BEADMN CCC(C)=Nc1nc[nH]c(=O)c1Br ZINC001210793144 957889968 /nfs/dbraw/zinc/88/99/68/957889968.db2.gz LANFUQBSBCJAQV-HWKANZROSA-N 0 1 244.092 2.280 20 0 BEADMN CCCN1CCN(Cc2cc(C)c(C)o2)CC1 ZINC001204532702 957939849 /nfs/dbraw/zinc/93/98/49/957939849.db2.gz GDDBADXHTYQMHR-UHFFFAOYSA-N 0 1 236.359 2.424 20 0 BEADMN Cc1nnc(SCc2nc(C)c(C)o2)[nH]1 ZINC000049517204 957956163 /nfs/dbraw/zinc/95/61/63/957956163.db2.gz QAQAPAVEIAALPY-UHFFFAOYSA-N 0 1 224.289 2.010 20 0 BEADMN Cc1n[nH]c(SCc2nc(C)c(C)o2)n1 ZINC000049517204 957956167 /nfs/dbraw/zinc/95/61/67/957956167.db2.gz QAQAPAVEIAALPY-UHFFFAOYSA-N 0 1 224.289 2.010 20 0 BEADMN CCN1CC[C@@H](N[C@@H]2CCCCC2(F)F)C1 ZINC000398008407 957966001 /nfs/dbraw/zinc/96/60/01/957966001.db2.gz BVCAKXPXYXIFQZ-GHMZBOCLSA-N 0 1 232.318 2.248 20 0 BEADMN CN1CCC[C@@H](N[C@H]2CCCCC2(F)F)C1 ZINC000398011852 957971268 /nfs/dbraw/zinc/97/12/68/957971268.db2.gz DHKPHIUIAGPDDM-MNOVXSKESA-N 0 1 232.318 2.248 20 0 BEADMN Cc1ccc(-n2[nH]c(=O)c3cc(N)ccc32)nc1 ZINC001211013278 957986057 /nfs/dbraw/zinc/98/60/57/957986057.db2.gz GCBQZUWZGAVTEN-UHFFFAOYSA-N 0 1 240.266 2.017 20 0 BEADMN Cc1cc(CN2CC[C@@]23CCOC3)oc1C ZINC001204539396 958014981 /nfs/dbraw/zinc/01/49/81/958014981.db2.gz PCDNLJUUPCUXCV-ZDUSSCGKSA-N 0 1 221.300 2.261 20 0 BEADMN Cn1cncc1Nc1ncc(Cl)cc1F ZINC001211244835 958102584 /nfs/dbraw/zinc/10/25/84/958102584.db2.gz FGFUIJZTKUAXOS-UHFFFAOYSA-N 0 1 226.642 2.351 20 0 BEADMN CC(C)Cc1cc(Nc2cncn2C)on1 ZINC001211244856 958103164 /nfs/dbraw/zinc/10/31/64/958103164.db2.gz FZAGSYTWHSYEHC-UHFFFAOYSA-N 0 1 220.276 2.350 20 0 BEADMN COC(=O)c1ccc(Nc2cncn2C)cc1F ZINC001211249748 958108100 /nfs/dbraw/zinc/10/81/00/958108100.db2.gz AOLQXAPURKRZLB-UHFFFAOYSA-N 0 1 249.245 2.089 20 0 BEADMN CC(=O)c1sccc1Nc1cncn1C ZINC001211247122 958109380 /nfs/dbraw/zinc/10/93/80/958109380.db2.gz JIWXLWHVVSAVCT-UHFFFAOYSA-N 0 1 221.285 2.428 20 0 BEADMN Cn1cncc1Nc1cc(Cl)ccc1N ZINC001211250158 958115222 /nfs/dbraw/zinc/11/52/22/958115222.db2.gz HFUXPDXCDXLNQI-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN Cc1ccc(CCCO)c(Nc2cncn2C)c1 ZINC001211251809 958118341 /nfs/dbraw/zinc/11/83/41/958118341.db2.gz POUYSAKNNFBLBZ-UHFFFAOYSA-N 0 1 245.326 2.397 20 0 BEADMN Cn1cncc1Nc1cccc2c1C(=O)CC2 ZINC001211251507 958121680 /nfs/dbraw/zinc/12/16/80/958121680.db2.gz IIPUHUVATFUCFZ-UHFFFAOYSA-N 0 1 227.267 2.293 20 0 BEADMN COc1cnccc1Nc1nc(C)ccc1C ZINC001211259796 958123368 /nfs/dbraw/zinc/12/33/68/958123368.db2.gz HRXHQAIRAOEMJK-UHFFFAOYSA-N 0 1 229.283 2.268 20 0 BEADMN COc1cnccc1Nc1ccc(Cl)nc1 ZINC001211257802 958124184 /nfs/dbraw/zinc/12/41/84/958124184.db2.gz SRBWFIICBSNKBP-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN COc1cnccc1Nc1cc(C)nn1C(C)C ZINC001211257805 958124539 /nfs/dbraw/zinc/12/45/39/958124539.db2.gz SRJQJDDKOQACEB-UHFFFAOYSA-N 0 1 246.314 2.342 20 0 BEADMN COc1cnccc1Nc1c(C)ccnc1F ZINC001211259797 958125932 /nfs/dbraw/zinc/12/59/32/958125932.db2.gz HTLIOSOEBLISLH-UHFFFAOYSA-N 0 1 233.246 2.098 20 0 BEADMN CC1(C)CN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137010651 972325358 /nfs/dbraw/zinc/32/53/58/972325358.db2.gz ZFSNJQCZOLRAMD-UHFFFAOYSA-N 0 1 233.237 2.270 20 0 BEADMN OCc1c(F)ccc(Nc2ccncc2)c1F ZINC001215648048 958238918 /nfs/dbraw/zinc/23/89/18/958238918.db2.gz DKTOYSNCJMCPIV-UHFFFAOYSA-N 0 1 236.221 2.018 20 0 BEADMN CCN(CCn1cccn1)Cc1cncc(C)c1 ZINC001207161339 958252868 /nfs/dbraw/zinc/25/28/68/958252868.db2.gz ZMKGAHJBLCKRDZ-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN C[C@@H]1CN(Cc2ccc3[nH]cnc3c2)C[C@@H]1F ZINC001137041223 972340732 /nfs/dbraw/zinc/34/07/32/972340732.db2.gz RZUDWMVIDAMPGK-KOLCDFICSA-N 0 1 233.290 2.353 20 0 BEADMN C[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H]1F ZINC001137041223 972340734 /nfs/dbraw/zinc/34/07/34/972340734.db2.gz RZUDWMVIDAMPGK-KOLCDFICSA-N 0 1 233.290 2.353 20 0 BEADMN F[C@@H]1CN(Cc2ccc3[nH]cnc3c2)C[C@@H]2C[C@@H]21 ZINC001137042669 972341067 /nfs/dbraw/zinc/34/10/67/972341067.db2.gz OXPPTFKHUVBCBS-SDDRHHMPSA-N 0 1 245.301 2.353 20 0 BEADMN F[C@@H]1CN(Cc2ccc3nc[nH]c3c2)C[C@@H]2C[C@@H]21 ZINC001137042669 972341073 /nfs/dbraw/zinc/34/10/73/972341073.db2.gz OXPPTFKHUVBCBS-SDDRHHMPSA-N 0 1 245.301 2.353 20 0 BEADMN N[C@H](C(=O)N1CCC12CCCC2)c1ccccc1 ZINC000707234812 958420433 /nfs/dbraw/zinc/42/04/33/958420433.db2.gz MLXOSFNJCLZXJU-ZDUSSCGKSA-N 0 1 244.338 2.232 20 0 BEADMN Cc1c(CN2CCCC[C@](C)(F)C2)cnn1C ZINC001204569543 958426576 /nfs/dbraw/zinc/42/65/76/958426576.db2.gz JMYDDKODKUNIRH-ZDUSSCGKSA-N 0 1 239.338 2.443 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CCC[C@H]1CO ZINC001143757933 972360257 /nfs/dbraw/zinc/36/02/57/972360257.db2.gz QWZUISABNCICAI-LBPRGKRZSA-N 0 1 241.281 2.230 20 0 BEADMN Cc1c(F)cc(F)cc1CN1CCC[C@@H]1CO ZINC001143757932 972363149 /nfs/dbraw/zinc/36/31/49/972363149.db2.gz QWZUISABNCICAI-GFCCVEGCSA-N 0 1 241.281 2.230 20 0 BEADMN C[C@@H]1C[C@H](CO)CN(CC=C(Cl)Cl)C1 ZINC000403788380 958864164 /nfs/dbraw/zinc/86/41/64/958864164.db2.gz ZVWOACPBTXNWMB-BDAKNGLRSA-N 0 1 238.158 2.256 20 0 BEADMN COc1cc(Nc2ccncc2)c(Cl)cn1 ZINC001216385533 958873517 /nfs/dbraw/zinc/87/35/17/958873517.db2.gz OUUFLJCNQORJLI-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN CC/C=C\CCN1CCC[C@@]12CCOC2=O ZINC000588527796 958957678 /nfs/dbraw/zinc/95/76/78/958957678.db2.gz KAXAMVLNKZYINH-SCOBNMCVSA-N 0 1 223.316 2.124 20 0 BEADMN FCCN1CCC(OCc2ccccn2)CC1 ZINC001222147510 972392699 /nfs/dbraw/zinc/39/26/99/972392699.db2.gz NJGZIOJAFIHWAE-UHFFFAOYSA-N 0 1 238.306 2.032 20 0 BEADMN Cc1n[nH]c(S[C@@H](C)OC(=O)OC(C)C)n1 ZINC000176577788 959088151 /nfs/dbraw/zinc/08/81/51/959088151.db2.gz FWPNTCOPGQNESV-ZETCQYMHSA-N 0 1 245.304 2.113 20 0 BEADMN Cc1nc(S[C@@H](C)OC(=O)OC(C)C)n[nH]1 ZINC000176577788 959088164 /nfs/dbraw/zinc/08/81/64/959088164.db2.gz FWPNTCOPGQNESV-ZETCQYMHSA-N 0 1 245.304 2.113 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000159904958 959132034 /nfs/dbraw/zinc/13/20/34/959132034.db2.gz XLQFMJUOMHZUER-PHIMTYICSA-N 0 1 232.283 2.016 20 0 BEADMN C[C@H]1CC(=O)CCN1C[C@H]1CCOC(C)(C)C1 ZINC001207354287 959222502 /nfs/dbraw/zinc/22/25/02/959222502.db2.gz SYOJNXJMYIWABS-RYUDHWBXSA-N 0 1 239.359 2.245 20 0 BEADMN Cc1[nH+]c(NC[C@@H]2C[C@H]2C)ccc1C(=O)[O-] ZINC000167084822 959334542 /nfs/dbraw/zinc/33/45/42/959334542.db2.gz DIXLTWWRUPXTNV-APPZFPTMSA-N 0 1 220.272 2.156 20 0 BEADMN Cc1ccc(O)c(CN2CCC(F)(F)CC2)n1 ZINC000404778904 959338334 /nfs/dbraw/zinc/33/83/34/959338334.db2.gz HHVVOBIBRFDSRQ-UHFFFAOYSA-N 0 1 242.269 2.327 20 0 BEADMN C[C@H]1CC[C@@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000309172285 959698435 /nfs/dbraw/zinc/69/84/35/959698435.db2.gz AUOBOJWNAXAUND-WDSKDSINSA-N 0 1 237.694 2.217 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+]1CCC[C@H](C)CC1 ZINC000215681782 959757302 /nfs/dbraw/zinc/75/73/02/959757302.db2.gz LQTYLGRJFUQDPC-DFYQSJSGSA-N 0 1 211.305 2.139 20 0 BEADMN CC1CC([N@@H+](C)Cc2ccc(C(=O)[O-])o2)C1 ZINC000724849533 959826395 /nfs/dbraw/zinc/82/63/95/959826395.db2.gz WLZQLXXIJBJNIO-UHFFFAOYSA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455098 959877579 /nfs/dbraw/zinc/87/75/79/959877579.db2.gz OPFYWZFTJUHFJH-QWRGUYRKSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CC(=O)CCN1Cc1c[nH]c2ccncc12 ZINC001140802389 959887141 /nfs/dbraw/zinc/88/71/41/959887141.db2.gz UKHOODVLMPQBHM-SNVBAGLBSA-N 0 1 243.310 2.116 20 0 BEADMN C/C=C/C=C/C(=O)N(C(=N)N)c1ccccc1F ZINC001144001027 972470313 /nfs/dbraw/zinc/47/03/13/972470313.db2.gz JUQSZIBQNPHBGG-DSXPNFDZSA-N 0 1 247.273 2.184 20 0 BEADMN CC[C@H](C)[C@H](C)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227823172 959971291 /nfs/dbraw/zinc/97/12/91/959971291.db2.gz OLMZMIAEVSFKRY-NHCYSSNCSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)[C@@H](N)c1cc([C@H]2CCCO2)no1 ZINC000694885780 960023294 /nfs/dbraw/zinc/02/32/94/960023294.db2.gz UXDMOPGHIZUMBD-MWLCHTKSSA-N 0 1 210.277 2.182 20 0 BEADMN COCc1ccc(SCc2nnc[nH]2)cc1 ZINC001327164445 972475179 /nfs/dbraw/zinc/47/51/79/972475179.db2.gz IIGTYIUTKMZKEX-UHFFFAOYSA-N 0 1 235.312 2.243 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nonc1C ZINC000695154024 960118614 /nfs/dbraw/zinc/11/86/14/960118614.db2.gz TULXXQIDFLCSTA-SECBINFHSA-N 0 1 211.309 2.292 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(OC)C1 ZINC000230273179 960136422 /nfs/dbraw/zinc/13/64/22/960136422.db2.gz LLVOHQWDKQNAHS-DGCLKSJQSA-N 0 1 243.347 2.131 20 0 BEADMN COc1ccccc1CCN1CC[C@H](F)C1 ZINC001207453333 960188393 /nfs/dbraw/zinc/18/83/93/960188393.db2.gz FJWYJYGPLMAFHK-LBPRGKRZSA-N 0 1 223.291 2.282 20 0 BEADMN COC(=O)CN(C)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000709022352 960219626 /nfs/dbraw/zinc/21/96/26/960219626.db2.gz VWBCAZQOYFNVLX-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CC(C)c1[nH+]ccn1Cc1cccc(C(=O)[O-])n1 ZINC000232749910 960295288 /nfs/dbraw/zinc/29/52/88/960295288.db2.gz FTEXDCQOXQNUHC-UHFFFAOYSA-N 0 1 245.282 2.148 20 0 BEADMN Cc1nnsc1CN[C@H](C)C1(Cl)CC1 ZINC000695687539 960372510 /nfs/dbraw/zinc/37/25/10/960372510.db2.gz YUCSAUUEMCSDPM-SSDOTTSWSA-N 0 1 231.752 2.096 20 0 BEADMN Cc1ccc(F)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001140590135 960444947 /nfs/dbraw/zinc/44/49/47/960444947.db2.gz XSVKJDXWYTWFFV-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN Cc1nn(C)c(C)c1CN1C[C@@H](C)C[C@H]1CF ZINC001203051575 960463004 /nfs/dbraw/zinc/46/30/04/960463004.db2.gz DOXXTQHFZRKJKS-CABZTGNLSA-N 0 1 239.338 2.217 20 0 BEADMN CCOC(=O)c1ccc(CN2CCC[C@H]3C[C@H]32)[nH]1 ZINC001140689738 960495864 /nfs/dbraw/zinc/49/58/64/960495864.db2.gz LXJHWYCCIFFAFE-GXFFZTMASA-N 0 1 248.326 2.176 20 0 BEADMN O=C1CCN(Cc2cc[nH]c2)[C@H]2CCCC[C@H]12 ZINC001140704956 960516029 /nfs/dbraw/zinc/51/60/29/960516029.db2.gz QXBUJGGDMCPCIK-STQMWFEESA-N 0 1 232.327 2.348 20 0 BEADMN F[C@@H]1CSC2(CN(Cc3cc[nH]c3)C2)C1 ZINC001140709058 960527541 /nfs/dbraw/zinc/52/75/41/960527541.db2.gz RBLIZOPAWRRYFJ-JTQLQIEISA-N 0 1 226.320 2.044 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036810292 960533190 /nfs/dbraw/zinc/53/31/90/960533190.db2.gz WHKXOFMZDUIABG-RYUDHWBXSA-N 0 1 225.332 2.363 20 0 BEADMN CN(Cc1cc(Br)ccn1)C1CC1 ZINC001140761923 960558651 /nfs/dbraw/zinc/55/86/51/960558651.db2.gz HBXFXIPTWWMOMU-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN CNc1nc(SC)ncc1CN(C)C(C)C ZINC001140835783 960622675 /nfs/dbraw/zinc/62/26/75/960622675.db2.gz FTPNNJJOZHUUED-UHFFFAOYSA-N 0 1 240.376 2.080 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)C(F)(F)C2)n[nH]1 ZINC001203070438 960623487 /nfs/dbraw/zinc/62/34/87/960623487.db2.gz TWLJHXMLRDOJHD-MRVPVSSYSA-N 0 1 229.274 2.195 20 0 BEADMN CC(=O)[C@H]1CC[N@@H+](Cc2[nH]cc(C)c2C)C1 ZINC001140861811 960642757 /nfs/dbraw/zinc/64/27/57/960642757.db2.gz OODULUCGCMGXGT-LBPRGKRZSA-N 0 1 220.316 2.042 20 0 BEADMN CCCOC1CCN(Cc2cc(C)n[nH]2)CC1 ZINC001203075574 960671617 /nfs/dbraw/zinc/67/16/17/960671617.db2.gz KRLIJXOLZZCQDJ-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN CCCOC1CCN(Cc2cc(C)[nH]n2)CC1 ZINC001203075574 960671626 /nfs/dbraw/zinc/67/16/26/960671626.db2.gz KRLIJXOLZZCQDJ-UHFFFAOYSA-N 0 1 237.347 2.109 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3ccncc3)C2)[nH]n1 ZINC001203076228 960679434 /nfs/dbraw/zinc/67/94/34/960679434.db2.gz ZKLCQZUUWXNYDK-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1N ZINC001140895106 960680012 /nfs/dbraw/zinc/68/00/12/960680012.db2.gz XVSJBEHXTKSCLV-KOLCDFICSA-N 0 1 238.306 2.067 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)[nH]n1 ZINC001203076919 960686525 /nfs/dbraw/zinc/68/65/25/960686525.db2.gz LYCYKPWLCOEIBF-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN Cc1cc(CN2CC[C@H](c3cccnc3)C2)[nH]n1 ZINC001203076919 960686541 /nfs/dbraw/zinc/68/65/41/960686541.db2.gz LYCYKPWLCOEIBF-ZDUSSCGKSA-N 0 1 242.326 2.103 20 0 BEADMN c1ncc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC001140928430 960699355 /nfs/dbraw/zinc/69/93/55/960699355.db2.gz MROHCOFSJQUQAR-QWRGUYRKSA-N 0 1 206.289 2.297 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)o1 ZINC001140943785 960735546 /nfs/dbraw/zinc/73/55/46/960735546.db2.gz BZHGSMXXBFTZSZ-SECBINFHSA-N 0 1 241.262 2.302 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H](F)C2)o1 ZINC001140943785 960735556 /nfs/dbraw/zinc/73/55/56/960735556.db2.gz BZHGSMXXBFTZSZ-SECBINFHSA-N 0 1 241.262 2.302 20 0 BEADMN Cc1cc(CN(C)CC(=O)c2ccccc2)n[nH]1 ZINC001203082308 960760305 /nfs/dbraw/zinc/76/03/05/960760305.db2.gz PIMCCAXNFKGMKQ-UHFFFAOYSA-N 0 1 243.310 2.033 20 0 BEADMN COCC[C@H]1CCCCN1Cc1ncco1 ZINC001141008641 960808834 /nfs/dbraw/zinc/80/88/34/960808834.db2.gz HCKKRZCJACEITO-LLVKDONJSA-N 0 1 224.304 2.066 20 0 BEADMN C[C@]1(F)CCCCN(Cc2cn[nH]c2)C1 ZINC001203086269 960820325 /nfs/dbraw/zinc/82/03/25/960820325.db2.gz PVKYDODBSUVQBE-NSHDSACASA-N 0 1 211.284 2.124 20 0 BEADMN Cc1ncoc1CN(C)CCc1cccnc1 ZINC001141052706 960847077 /nfs/dbraw/zinc/84/70/77/960847077.db2.gz DRJITHYTFCWDDU-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CCCCc1ncc(CN2CCOC3(CC3)C2)[nH]1 ZINC001141073875 960857714 /nfs/dbraw/zinc/85/77/14/960857714.db2.gz NKYIBHHJKXTOMI-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN CCCCc1nc(CN2C[C@@H]3C[C@@H]3C2)c[nH]1 ZINC001141067730 960863103 /nfs/dbraw/zinc/86/31/03/960863103.db2.gz LUTJOANYAGVPQH-PHIMTYICSA-N 0 1 219.332 2.204 20 0 BEADMN c1nc(CN2CC[C@H]3CCC[C@@H]3C2)co1 ZINC001141126844 960875755 /nfs/dbraw/zinc/87/57/55/960875755.db2.gz XEUVQJBQRMHEPT-GHMZBOCLSA-N 0 1 206.289 2.297 20 0 BEADMN COc1ccc2nccc(CN3CCC3)c2c1 ZINC001141146306 960884971 /nfs/dbraw/zinc/88/49/71/960884971.db2.gz RSSAKKMVDQKMTC-UHFFFAOYSA-N 0 1 228.295 2.449 20 0 BEADMN c1ncc(CO[C@H]2COCc3ccccc32)[nH]1 ZINC001223001127 960895945 /nfs/dbraw/zinc/89/59/45/960895945.db2.gz UHSFPPWBTYGCBX-ZDUSSCGKSA-N 0 1 230.267 2.198 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c(F)c1 ZINC001141191738 960919090 /nfs/dbraw/zinc/91/90/90/960919090.db2.gz AFYLVYSTBPHQMH-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN Cc1ccc(CN2CC[C@H]3OCC[C@H]32)c(F)c1 ZINC001141191738 960919144 /nfs/dbraw/zinc/91/91/44/960919144.db2.gz AFYLVYSTBPHQMH-ZIAGYGMSSA-N 0 1 235.302 2.497 20 0 BEADMN CN(CCF)Cc1cccc(-n2ccnc2)c1 ZINC001141245318 961020420 /nfs/dbraw/zinc/02/04/20/961020420.db2.gz IVWGXVVRKWHPRM-UHFFFAOYSA-N 0 1 233.290 2.274 20 0 BEADMN CCN(CC)Cc1cnc(C(F)(F)F)nc1 ZINC001141451284 961068750 /nfs/dbraw/zinc/06/87/50/961068750.db2.gz KUHWQVGCMWIAOY-UHFFFAOYSA-N 0 1 233.237 2.337 20 0 BEADMN CCCN(C)Cc1cnc(C(F)(F)F)nc1 ZINC001141451101 961069132 /nfs/dbraw/zinc/06/91/32/961069132.db2.gz GRDHRRRSYQDEPU-UHFFFAOYSA-N 0 1 233.237 2.337 20 0 BEADMN CC[C@@H]1CCCN(Cc2cn3c(n2)COCC3)C1 ZINC001141537254 961099211 /nfs/dbraw/zinc/09/92/11/961099211.db2.gz MTIBKXQUDWNAEL-GFCCVEGCSA-N 0 1 249.358 2.035 20 0 BEADMN C[C@@H]1CCCCN(Cc2cn3c(n2)COCC3)C1 ZINC001141526665 961101511 /nfs/dbraw/zinc/10/15/11/961101511.db2.gz LFBZDPQNPSWCNN-GFCCVEGCSA-N 0 1 249.358 2.035 20 0 BEADMN CCC[C@@H](C)NC(=O)c1ccc(CN(C)C)nc1 ZINC001141829343 961161254 /nfs/dbraw/zinc/16/12/54/961161254.db2.gz IBNLURMZRBIYDN-LLVKDONJSA-N 0 1 249.358 2.062 20 0 BEADMN CC1(C[N@@H+](CCc2ccccc2)CC(=O)[O-])CC1 ZINC000840995246 961244631 /nfs/dbraw/zinc/24/46/31/961244631.db2.gz XWXCZECUHFFQCP-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000252184369 961265636 /nfs/dbraw/zinc/26/56/36/961265636.db2.gz QOOOTBCGQUITLF-GRYCIOLGSA-N 0 1 225.332 2.362 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252594687 961276371 /nfs/dbraw/zinc/27/63/71/961276371.db2.gz GTOLSLVGJYJFKD-MWLCHTKSSA-N 0 1 213.321 2.218 20 0 BEADMN N=CNc1nc2ccc(Br)cc2[nH]1 ZINC001167869696 961371650 /nfs/dbraw/zinc/37/16/50/961371650.db2.gz ZMWQKSWEMWWKAJ-UHFFFAOYSA-N 0 1 239.076 2.344 20 0 BEADMN CN(Cc1[nH]cnc1C(C)(C)C)C1CC1 ZINC001142208739 961350076 /nfs/dbraw/zinc/35/00/76/961350076.db2.gz ATICGMBSMCAYRY-UHFFFAOYSA-N 0 1 207.321 2.301 20 0 BEADMN CC(C)(C)c1nc[nH]c1CN1CC[C@H]2OCC[C@H]21 ZINC001142213099 961352356 /nfs/dbraw/zinc/35/23/56/961352356.db2.gz NXMWXXQXPOZOQN-VXGBXAGGSA-N 0 1 249.358 2.070 20 0 BEADMN COc1ccc(C(=O)NC(C)(C)C)cc1NC=N ZINC001167868864 961366440 /nfs/dbraw/zinc/36/64/40/961366440.db2.gz QAMIBBIYZGMLME-UHFFFAOYSA-N 0 1 249.314 2.242 20 0 BEADMN COCOCCc1nc2cc(C)c(F)cc2[nH]1 ZINC001250591139 1169788255 /nfs/dbraw/zinc/78/82/55/1169788255.db2.gz BKFJBMIOQCEPNQ-UHFFFAOYSA-N 0 1 238.262 2.173 20 0 BEADMN CC[C@@H](C)N(C)Cc1cnc(Cl)nc1NC ZINC001142482360 961461244 /nfs/dbraw/zinc/46/12/44/961461244.db2.gz FRSOSKDNCLDSAW-MRVPVSSYSA-N 0 1 242.754 2.402 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1=CCCCC1 ZINC001343703480 961464828 /nfs/dbraw/zinc/46/48/28/961464828.db2.gz HDYPPMRUTBIPAQ-UHFFFAOYSA-N 0 1 220.272 2.375 20 0 BEADMN CCCCCC(=O)NC1CN(CC(C)C)C1 ZINC001268246616 961479803 /nfs/dbraw/zinc/47/98/03/961479803.db2.gz XOOGAXTTYTXTGH-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)OC1CN(Cc2cccc3nc[nH]c32)C1 ZINC001142692525 961629645 /nfs/dbraw/zinc/62/96/45/961629645.db2.gz IAMKKVCBGDSWRR-UHFFFAOYSA-N 0 1 245.326 2.172 20 0 BEADMN CC(C)N(C)Cc1cnc2ccc(Cl)nn12 ZINC001142982077 961859840 /nfs/dbraw/zinc/85/98/40/961859840.db2.gz KLBMEIFRIRICRV-UHFFFAOYSA-N 0 1 238.722 2.223 20 0 BEADMN CCN(C)Cc1c(OC)cc(C)cc1OC ZINC001143132415 961888526 /nfs/dbraw/zinc/88/85/26/961888526.db2.gz BPNWXOMCENDPPK-UHFFFAOYSA-N 0 1 223.316 2.464 20 0 BEADMN COc1cc(C)cc(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC001143150710 961891501 /nfs/dbraw/zinc/89/15/01/961891501.db2.gz UNIMCZZUCZKIKV-CYBMUJFWSA-N 0 1 235.327 2.224 20 0 BEADMN COC[C@@H]1CCN1Cc1cc(C)cc(OC)c1 ZINC001143163402 961896653 /nfs/dbraw/zinc/89/66/53/961896653.db2.gz FKZYPTLCDBDQQY-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN FC1CCN(Cc2cc3cccnc3[nH]2)CC1 ZINC001143212734 961955809 /nfs/dbraw/zinc/95/58/09/961955809.db2.gz ZQJFAHVKEHCGPO-UHFFFAOYSA-N 0 1 233.290 2.497 20 0 BEADMN FC(F)c1ccc(CN2CC3(COC3)C2)cc1 ZINC001143242881 961973437 /nfs/dbraw/zinc/97/34/37/961973437.db2.gz NEWWYXRMSYNTKL-UHFFFAOYSA-N 0 1 239.265 2.456 20 0 BEADMN CCOC(=O)CN(CC)[C@@H]1CC[C@@H](CC)C1 ZINC000092930820 962040464 /nfs/dbraw/zinc/04/04/64/962040464.db2.gz ZMUMVDHJQLHFTL-VXGBXAGGSA-N 0 1 227.348 2.450 20 0 BEADMN CCOC(=O)CN(CC)[C@H]1CC[C@H](C)C1 ZINC000092930814 962044796 /nfs/dbraw/zinc/04/47/96/962044796.db2.gz KEOZCTOQTULERT-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN CCC(CC)CO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001204938376 962086070 /nfs/dbraw/zinc/08/60/70/962086070.db2.gz GLTXYUDRFGVZHT-IACUBPJLSA-N 0 1 239.359 2.243 20 0 BEADMN Fc1ccc([C@@H]2CCCN2Cc2c[nH]nn2)cc1 ZINC001203198736 962158537 /nfs/dbraw/zinc/15/85/37/962158537.db2.gz PEEWYEBBHKYCEE-ZDUSSCGKSA-N 0 1 246.289 2.281 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000048013877 962311870 /nfs/dbraw/zinc/31/18/70/962311870.db2.gz ZIYLWZIKRMIDDZ-MNOVXSKESA-N 0 1 233.315 2.062 20 0 BEADMN O=C(c1ccn[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000048013868 962316721 /nfs/dbraw/zinc/31/67/21/962316721.db2.gz ZIYLWZIKRMIDDZ-WDEREUQCSA-N 0 1 233.315 2.062 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cn2)CC1 ZINC000132734557 962474637 /nfs/dbraw/zinc/47/46/37/962474637.db2.gz AMFXUPILDNKQLR-LLVKDONJSA-N 0 1 220.316 2.409 20 0 BEADMN O=C(Nc1ccccc1)c1n[nH]c2cccnc21 ZINC001153145272 962538787 /nfs/dbraw/zinc/53/87/87/962538787.db2.gz PEQIVVURNVFFSQ-UHFFFAOYSA-N 0 1 238.250 2.210 20 0 BEADMN CC[C@@H](CC(=O)N1CC(N(C)C)C1)C(C)(C)C ZINC001153181617 962544987 /nfs/dbraw/zinc/54/49/87/962544987.db2.gz OGOZGLMESPNEAP-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@H]2C=CCC2)cc1 ZINC000711736722 962758373 /nfs/dbraw/zinc/75/83/73/962758373.db2.gz MFDXFHOADUXWFD-JSGCOSHPSA-N 0 1 244.338 2.077 20 0 BEADMN Cc1ccc(NCCN2CCCCC2=O)nc1C ZINC001154627425 962817778 /nfs/dbraw/zinc/81/77/78/962817778.db2.gz KCECAWFJENATAU-UHFFFAOYSA-N 0 1 247.342 2.123 20 0 BEADMN C[C@@H](C(=O)OC(C)(C)C)N(C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167957647 962821342 /nfs/dbraw/zinc/82/13/42/962821342.db2.gz WXRBAXRUPRDTAA-NNYUYHANSA-N 0 1 239.359 2.447 20 0 BEADMN c1cc([C@H]2CN([C@H]3C[C@H]4C[C@H]4C3)CCO2)ccn1 ZINC001167958289 962823483 /nfs/dbraw/zinc/82/34/83/962823483.db2.gz ZETUOOJFZOKTJM-CBBWQLFWSA-N 0 1 244.338 2.253 20 0 BEADMN CCN(CC)C(=O)c1cc2cn[nH]c2cc1OC ZINC001154784088 962846398 /nfs/dbraw/zinc/84/63/98/962846398.db2.gz NSCGBPKCRAWLAQ-UHFFFAOYSA-N 0 1 247.298 2.054 20 0 BEADMN CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)[C@H]1C ZINC001154802041 962851676 /nfs/dbraw/zinc/85/16/76/962851676.db2.gz OCTGTJWUSVUGNG-WDEREUQCSA-N 0 1 249.358 2.334 20 0 BEADMN CC/C=C/NC(=O)c1cc2cn[nH]c2cc1OC ZINC001154798726 962853015 /nfs/dbraw/zinc/85/30/15/962853015.db2.gz YXDRFKDXGFAHPS-SNAWJCMRSA-N 0 1 245.282 2.225 20 0 BEADMN Nc1cccc(CN2CCc3ccsc3C2)n1 ZINC000712305718 962854955 /nfs/dbraw/zinc/85/49/55/962854955.db2.gz GQYLWSOQSWGNNJ-UHFFFAOYSA-N 0 1 245.351 2.284 20 0 BEADMN Cc1cnc(CCNc2ncc(C)cc2C)nc1 ZINC001154861900 962876847 /nfs/dbraw/zinc/87/68/47/962876847.db2.gz YDCBUKNPJTZTEF-UHFFFAOYSA-N 0 1 242.326 2.451 20 0 BEADMN CC(C)N1CC(Nc2ccc3c(n2)CCCC3)C1 ZINC000712382832 962878717 /nfs/dbraw/zinc/87/87/17/962878717.db2.gz STEFFTHGNPJQSA-UHFFFAOYSA-N 0 1 245.370 2.465 20 0 BEADMN CCC(=O)N[C@@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001154998658 962937287 /nfs/dbraw/zinc/93/72/87/962937287.db2.gz ANAJMUUJXFWOBN-QMMMGPOBSA-N 0 1 247.298 2.159 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@](C)(OC)C1 ZINC000300303559 962999830 /nfs/dbraw/zinc/99/98/30/962999830.db2.gz LLVOHQWDKQNAHS-AAEUAGOBSA-N 0 1 243.347 2.131 20 0 BEADMN CC(C)CNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001161652616 963042923 /nfs/dbraw/zinc/04/29/23/963042923.db2.gz AONJJCUPNLHMHM-GFCCVEGCSA-N 0 1 236.315 2.317 20 0 BEADMN Cc1cc(=O)[nH]c(O[C@H](C)c2ncccc2F)n1 ZINC001226159452 963087081 /nfs/dbraw/zinc/08/70/81/963087081.db2.gz MMGIMDYYKPWTFD-MRVPVSSYSA-N 0 1 249.245 2.165 20 0 BEADMN Cc1ccc(N2CCOCC23CC3)nc1C ZINC001155835269 963179410 /nfs/dbraw/zinc/17/94/10/963179410.db2.gz ZPUGPRZYSKXIOD-UHFFFAOYSA-N 0 1 218.300 2.068 20 0 BEADMN CC[C@H](C)Nc1ccc2nc(C)[nH]c2n1 ZINC001167998538 963205290 /nfs/dbraw/zinc/20/52/90/963205290.db2.gz CSVSUFKZGWZNJG-ZETCQYMHSA-N 0 1 204.277 2.477 20 0 BEADMN CCc1cnc(N=C(C)CC(=O)OC(C)C)nc1 ZINC001156509054 963376522 /nfs/dbraw/zinc/37/65/22/963376522.db2.gz HTNGMUQZIKVJNF-POHAHGRESA-N 0 1 249.314 2.306 20 0 BEADMN COc1ccc2c(ccnc2NC2CC(=O)C2)c1 ZINC001156611265 963411291 /nfs/dbraw/zinc/41/12/91/963411291.db2.gz VGJVXZUORYWDRT-UHFFFAOYSA-N 0 1 242.278 2.387 20 0 BEADMN CSc1ccc(CNC2([C@H](C)O)CC2)o1 ZINC000895335451 963411610 /nfs/dbraw/zinc/41/16/10/963411610.db2.gz MHTZEYLQDYETBB-QMMMGPOBSA-N 0 1 227.329 2.005 20 0 BEADMN C/C(=C/C(=O)[O-])Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000311236254 963471207 /nfs/dbraw/zinc/47/12/07/963471207.db2.gz WJDLGAUWJAAPOX-XXLCQIKASA-N 0 1 248.326 2.285 20 0 BEADMN CN(C)c1cccc(N(C)Cc2cncs2)n1 ZINC001157084738 963528029 /nfs/dbraw/zinc/52/80/29/963528029.db2.gz GYMLAJAGOXHTJE-UHFFFAOYSA-N 0 1 248.355 2.241 20 0 BEADMN F[C@@H]1CCCC[C@H]1Oc1ncnc2nc[nH]c21 ZINC001227534954 963531661 /nfs/dbraw/zinc/53/16/61/963531661.db2.gz PUUKYVXSWOXJTL-HTQZYQBOSA-N 0 1 236.250 2.012 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H](C)C(C)C)[nH]1 ZINC001157120281 963534315 /nfs/dbraw/zinc/53/43/15/963534315.db2.gz TZVMCYACDBDFEW-JTQLQIEISA-N 0 1 237.347 2.441 20 0 BEADMN COc1ccnc(N2CCC[C@H]3C[C@H]32)c1 ZINC001157133694 963540653 /nfs/dbraw/zinc/54/06/53/963540653.db2.gz WTOIYNCTSBLLPL-GXSJLCMTSA-N 0 1 204.273 2.079 20 0 BEADMN CC[C@H](SC)C(=O)Nc1ccc2cncn2c1 ZINC001157395784 963594233 /nfs/dbraw/zinc/59/42/33/963594233.db2.gz DDOYKRQNRBXNJG-NSHDSACASA-N 0 1 249.339 2.414 20 0 BEADMN CCC[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806857 963596694 /nfs/dbraw/zinc/59/66/94/963596694.db2.gz OTBJYXZJLBFTRH-ZETCQYMHSA-N 0 1 221.260 2.231 20 0 BEADMN CCC1(C(=O)Nc2ccc3cncn3c2)CC1 ZINC001157397470 963598250 /nfs/dbraw/zinc/59/82/50/963598250.db2.gz WXYSUZSNNQIVHE-UHFFFAOYSA-N 0 1 229.283 2.463 20 0 BEADMN CC(=O)N1CCCC[C@@H]1CN(C)C/C=C/Cl ZINC001157407981 963601090 /nfs/dbraw/zinc/60/10/90/963601090.db2.gz HQFXACOEATZBDZ-HOSRBBHYSA-N 0 1 244.766 2.072 20 0 BEADMN C[C@@H](NCc1coc(-c2ccccc2)n1)[C@H](C)O ZINC000342224290 963626565 /nfs/dbraw/zinc/62/65/65/963626565.db2.gz NCSVCXFJYAQGED-MNOVXSKESA-N 0 1 246.310 2.201 20 0 BEADMN Cc1cc(CCC(=O)NCC(C)(C)C2CC2)n[nH]1 ZINC001157492991 963637939 /nfs/dbraw/zinc/63/79/39/963637939.db2.gz VACXEUYGMKXPHX-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN Cc1ccc(NCc2cnc(C)nc2)nc1C ZINC001157602734 963673957 /nfs/dbraw/zinc/67/39/57/963673957.db2.gz IBXOOXXHWLUUIY-UHFFFAOYSA-N 0 1 228.299 2.409 20 0 BEADMN CSC(C)(C)CN[C@H](C)c1ncco1 ZINC000925190073 963677650 /nfs/dbraw/zinc/67/76/50/963677650.db2.gz HOAWVWFZAKVRFM-MRVPVSSYSA-N 0 1 214.334 2.467 20 0 BEADMN C=C/C=C\CC(=O)N1CCN(CC)C[C@H]1CC ZINC001157818263 963736938 /nfs/dbraw/zinc/73/69/38/963736938.db2.gz NVLKZEFTJWQPGI-MEJMFZKBSA-N 0 1 236.359 2.061 20 0 BEADMN CC[C@H](Oc1nc(O)cc(=O)[nH]1)C(C)(C)C ZINC001228388661 963771848 /nfs/dbraw/zinc/77/18/48/963771848.db2.gz MCXVUVSISMPLQK-ZETCQYMHSA-N 0 1 226.276 2.091 20 0 BEADMN Cc1ccc(NC2COC(C)(C)OC2)nc1C ZINC001158063160 963800272 /nfs/dbraw/zinc/80/02/72/963800272.db2.gz UNEQYGQBCIFMAV-UHFFFAOYSA-N 0 1 236.315 2.262 20 0 BEADMN Cc1cnc(CN)n1-c1ccc2ccccc2n1 ZINC001158163173 963814914 /nfs/dbraw/zinc/81/49/14/963814914.db2.gz PBPJBKNXVFVISJ-UHFFFAOYSA-N 0 1 238.294 2.188 20 0 BEADMN Cc1cc2c(ccnc2-n2c(C)cnc2CN)o1 ZINC001158166293 963815443 /nfs/dbraw/zinc/81/54/43/963815443.db2.gz JNDHCFXCLPKYDC-UHFFFAOYSA-N 0 1 242.282 2.089 20 0 BEADMN CC(C)[C@@H](C)Oc1nc(=O)[nH]cc1Cl ZINC001228480826 963825337 /nfs/dbraw/zinc/82/53/37/963825337.db2.gz PUHYJSRYXHLDGY-ZCFIWIBFSA-N 0 1 216.668 2.259 20 0 BEADMN CCOc1ccnc(N[C@H]2CCC[C@@H](O)C2)c1 ZINC001158364814 963855404 /nfs/dbraw/zinc/85/54/04/963855404.db2.gz RQFZGUKPBYCAKC-WDEREUQCSA-N 0 1 236.315 2.196 20 0 BEADMN CCCc1cc(NCc2cc(=O)[n-]o2)nc(C)[nH+]1 ZINC001158564052 963888458 /nfs/dbraw/zinc/88/84/58/963888458.db2.gz ZHGIXNBRBDPLON-UHFFFAOYSA-N 0 1 248.286 2.043 20 0 BEADMN CC(C)Oc1ccnc(N[C@H]2CCCOC2)c1 ZINC001158713474 963908398 /nfs/dbraw/zinc/90/83/98/963908398.db2.gz JIDFFSHIGJDYNL-NSHDSACASA-N 0 1 236.315 2.460 20 0 BEADMN Cc1cnc(N[C@H]2CCCOC2)cc1C ZINC001158714430 963908880 /nfs/dbraw/zinc/90/88/80/963908880.db2.gz ZBNWZAIFFQZPEE-NSHDSACASA-N 0 1 206.289 2.289 20 0 BEADMN CC(C)[C@@H](C)Oc1nnc2c[nH]ccc1-2 ZINC001228989454 963935509 /nfs/dbraw/zinc/93/55/09/963935509.db2.gz IZDSXDCKMBRVAL-MRVPVSSYSA-N 0 1 205.261 2.381 20 0 BEADMN CCCOC[C@H](C)Oc1nnc2c[nH]ccc1-2 ZINC001228989050 963936986 /nfs/dbraw/zinc/93/69/86/963936986.db2.gz DPFORSASVGMXFU-VIFPVBQESA-N 0 1 235.287 2.152 20 0 BEADMN COc1cccc2c1CC[C@@H](N(C)CC(C)=O)C2 ZINC001256644947 1169832487 /nfs/dbraw/zinc/83/24/87/1169832487.db2.gz DJVQJMSCUJULGV-CYBMUJFWSA-N 0 1 247.338 2.073 20 0 BEADMN CO[C@@H]1CCN(c2cccc(N(C)C)n2)[C@H](C)C1 ZINC001158893651 963954033 /nfs/dbraw/zinc/95/40/33/963954033.db2.gz VOYWPUJFFOGNNK-VXGBXAGGSA-N 0 1 249.358 2.151 20 0 BEADMN CC1CCC(NCc2ncc(F)cn2)CC1 ZINC001168192829 963957790 /nfs/dbraw/zinc/95/77/90/963957790.db2.gz GHFONXMTJZCEGM-UHFFFAOYSA-N 0 1 223.295 2.284 20 0 BEADMN Cc1nc2cc(N[C@H]3C[C@@H](CO)C3)ccc2[nH]1 ZINC001168243509 964045764 /nfs/dbraw/zinc/04/57/64/964045764.db2.gz NAUMVKFEDQVUKN-JGZJWPJOSA-N 0 1 231.299 2.054 20 0 BEADMN Cc1c2nc[nH]c2ccc1N[C@H]1C[C@@H](CO)C1 ZINC001168243957 964047704 /nfs/dbraw/zinc/04/77/04/964047704.db2.gz VBYVXINDABDQLP-AOOOYVTPSA-N 0 1 231.299 2.054 20 0 BEADMN COC(C)(CNc1ccc(C)c(C)n1)OC ZINC001159377551 964074188 /nfs/dbraw/zinc/07/41/88/964074188.db2.gz KUVOQMYCOYPBNO-UHFFFAOYSA-N 0 1 224.304 2.119 20 0 BEADMN CCCC=Nc1cnc2cccnc2n1 ZINC001159668366 964138267 /nfs/dbraw/zinc/13/82/67/964138267.db2.gz QTHQMDDPULWAAD-ZZXKWVIFSA-N 0 1 200.245 2.360 20 0 BEADMN CCCC=Nc1nc(Cl)ncc1OC ZINC001159662292 964138831 /nfs/dbraw/zinc/13/88/31/964138831.db2.gz LYZVJSSVZPKHMU-SNAWJCMRSA-N 0 1 213.668 2.474 20 0 BEADMN CC[C@](N)(CO)Nc1nccc2cccc(C)c21 ZINC001159748184 964184333 /nfs/dbraw/zinc/18/43/33/964184333.db2.gz LBNFZDWEPOCQJI-CQSZACIVSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1cnc(N[C@H](C)c2ncc(F)cn2)c(N)c1 ZINC001159965469 964233600 /nfs/dbraw/zinc/23/36/00/964233600.db2.gz ASUHWXNUNIUZGE-MRVPVSSYSA-N 0 1 247.277 2.074 20 0 BEADMN Cc1cnc(CO[C@H]2CN3CCC2CC3)s1 ZINC001223860773 964270073 /nfs/dbraw/zinc/27/00/73/964270073.db2.gz ZXQQKMPBDRCQPZ-NSHDSACASA-N 0 1 238.356 2.062 20 0 BEADMN Cc1ccc(Cl)nc1Nc1nccnc1CN ZINC001160243996 964274233 /nfs/dbraw/zinc/27/42/33/964274233.db2.gz BSZHWPQKMPPSKF-UHFFFAOYSA-N 0 1 249.705 2.036 20 0 BEADMN CCC(F)(F)CN[C@@H](C)C[C@@H]1CCOC1 ZINC000697639402 964378727 /nfs/dbraw/zinc/37/87/27/964378727.db2.gz LSCLUKUJCGXHCG-UWVGGRQHSA-N 0 1 221.291 2.436 20 0 BEADMN CCC1CCC(N2CCO[C@H]3C[C@H]32)CC1 ZINC001256876007 1169840929 /nfs/dbraw/zinc/84/09/29/1169840929.db2.gz IHVXFDYUGCHZQO-TUUUFIMRSA-N 0 1 209.333 2.428 20 0 BEADMN FC1(F)[C@H]2CCN(Cc3ccccn3)C[C@H]21 ZINC001168308375 964406169 /nfs/dbraw/zinc/40/61/69/964406169.db2.gz GYYHTZRSLYSTHK-WDEREUQCSA-N 0 1 224.254 2.169 20 0 BEADMN Cc1cc2ccnc(NC3CN(C(C)C)C3)c2[nH]1 ZINC001168311686 964411708 /nfs/dbraw/zinc/41/17/08/964411708.db2.gz IXLZPCSGMAEQRW-UHFFFAOYSA-N 0 1 244.342 2.376 20 0 BEADMN CC(C)N1CC(Nc2cnc3c(c2)CCC3)C1 ZINC001168313929 964415259 /nfs/dbraw/zinc/41/52/59/964415259.db2.gz GNCRQKKCDUZSLY-UHFFFAOYSA-N 0 1 231.343 2.075 20 0 BEADMN CC(C)N1CC(Nc2nccc3ccn(C)c32)C1 ZINC001168315665 964419805 /nfs/dbraw/zinc/41/98/05/964419805.db2.gz WNEIEVHRTDVEJJ-UHFFFAOYSA-N 0 1 244.342 2.078 20 0 BEADMN CCCN(CCC)C(=O)[C@@H]1CCN1C(C)C ZINC001160861212 964425549 /nfs/dbraw/zinc/42/55/49/964425549.db2.gz NMTRGGUJIQYCJD-LBPRGKRZSA-N 0 1 226.364 2.118 20 0 BEADMN CCOCc1cncc(NC2CN(C(C)C)C2)c1 ZINC001168316985 964429836 /nfs/dbraw/zinc/42/98/36/964429836.db2.gz CJJDTNBHHIHCRD-UHFFFAOYSA-N 0 1 249.358 2.123 20 0 BEADMN CCC1(Nc2nc(C)cc3cc[nH]c32)COC1 ZINC001168316886 964430875 /nfs/dbraw/zinc/43/08/75/964430875.db2.gz TWUUNVSCZXEKSC-UHFFFAOYSA-N 0 1 231.299 2.462 20 0 BEADMN Nc1ccn(-c2cccc3nc[nH]c32)c2nccc1-2 ZINC001213027342 964441824 /nfs/dbraw/zinc/44/18/24/964441824.db2.gz VAHRGCSBFUTHEM-UHFFFAOYSA-N 0 1 249.277 2.436 20 0 BEADMN Cc1cc2cc[nH]c2c(NC[C@H]2C[C@@](C)(O)C2)n1 ZINC001168339165 964477428 /nfs/dbraw/zinc/47/74/28/964477428.db2.gz MRZHTSVTEKMOFL-WJONMLJTSA-N 0 1 245.326 2.444 20 0 BEADMN Cc1cc(N(C)C)ncc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168345954 964486053 /nfs/dbraw/zinc/48/60/53/964486053.db2.gz KPLRZGMPXUMDAX-VDISTLRHSA-N 0 1 249.358 2.029 20 0 BEADMN C(NC1CC2(CCC2)C1)c1nnc2n1CCCC2 ZINC000697736447 964513952 /nfs/dbraw/zinc/51/39/52/964513952.db2.gz OQBWVGFUHHGGHQ-UHFFFAOYSA-N 0 1 246.358 2.037 20 0 BEADMN CC(C)[C@H](N)c1noc(CCc2ccco2)n1 ZINC000041123435 964527184 /nfs/dbraw/zinc/52/71/84/964527184.db2.gz PGKXYCIPRJYPTF-NSHDSACASA-N 0 1 235.287 2.104 20 0 BEADMN CCC1CCC(N2CCO[C@H](C(C)=O)C2)CC1 ZINC001256876704 1169844682 /nfs/dbraw/zinc/84/46/82/1169844682.db2.gz RVNWJESTTJFFOF-RUXDESIVSA-N 0 1 239.359 2.245 20 0 BEADMN O=C(CCCC1CCCCC1)N1CCNC1 ZINC001161418825 964601872 /nfs/dbraw/zinc/60/18/72/964601872.db2.gz RZRANPQUOJYXTM-UHFFFAOYSA-N 0 1 224.348 2.126 20 0 BEADMN O=C(C[C@H]1C=CCCC1)N1CC(N2CCCC2)C1 ZINC000898603576 964642744 /nfs/dbraw/zinc/64/27/44/964642744.db2.gz PKBSOVWKVSFHHS-ZDUSSCGKSA-N 0 1 248.370 2.039 20 0 BEADMN Cc1cc(N2CCOCC2)ncc1NCC(C)C ZINC001161648324 964662657 /nfs/dbraw/zinc/66/26/57/964662657.db2.gz DJQJHXOMYHPGFZ-UHFFFAOYSA-N 0 1 249.358 2.295 20 0 BEADMN Cc1cccc([C@@H](C)NC(=O)C2CN(C)C2)c1C ZINC001142600793 964663714 /nfs/dbraw/zinc/66/37/14/964663714.db2.gz LNIOAAJDEZVQBY-GFCCVEGCSA-N 0 1 246.354 2.042 20 0 BEADMN CCC(=O)Nc1cc(NCC(C)C)ccn1 ZINC001161653335 964668223 /nfs/dbraw/zinc/66/82/23/964668223.db2.gz VXWVRJRFNZFIJU-UHFFFAOYSA-N 0 1 221.304 2.498 20 0 BEADMN c1cn(CCCNc2cccn3cncc23)cn1 ZINC001161688062 964687382 /nfs/dbraw/zinc/68/73/82/964687382.db2.gz IATXNQXKBHSZLQ-UHFFFAOYSA-N 0 1 241.298 2.033 20 0 BEADMN CC(C)[C@H](CO)Nc1cc2nc[nH]c2cc1F ZINC001161744662 964730968 /nfs/dbraw/zinc/73/09/68/964730968.db2.gz JKOYQEXDWLXJEA-LBPRGKRZSA-N 0 1 237.278 2.131 20 0 BEADMN Cc1ccnc(NC2CCOCC2)c1C ZINC001161862082 964796109 /nfs/dbraw/zinc/79/61/09/964796109.db2.gz XZKCQACDIIKCSS-UHFFFAOYSA-N 0 1 206.289 2.289 20 0 BEADMN Cc1cc2cc[nH]c2c(NCc2nccn2C)n1 ZINC001161910191 964816263 /nfs/dbraw/zinc/81/62/63/964816263.db2.gz NJKMRPMXSOLNOI-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CCN[C@@H](C)c1nc(-c2ccoc2C)no1 ZINC000160450554 964819028 /nfs/dbraw/zinc/81/90/28/964819028.db2.gz FXDFVUYPVOZJTA-ZETCQYMHSA-N 0 1 221.260 2.309 20 0 BEADMN CC(C)c1nc2c(ncnc2NC2CC(F)C2)[nH]1 ZINC001162210107 964871803 /nfs/dbraw/zinc/87/18/03/964871803.db2.gz PTUGIFLUMYPKPS-UHFFFAOYSA-N 0 1 249.293 2.389 20 0 BEADMN Cc1nccc(NCC(C)(F)F)c1F ZINC001162232982 964886471 /nfs/dbraw/zinc/88/64/71/964886471.db2.gz LSEDXLJTTUJZEW-UHFFFAOYSA-N 0 1 204.195 2.018 20 0 BEADMN O[C@H](CNc1ccc2nc[nH]c2c1)c1ccco1 ZINC001162263421 964893631 /nfs/dbraw/zinc/89/36/31/964893631.db2.gz VKJBFCJGPHDXGZ-GFCCVEGCSA-N 0 1 243.266 2.301 20 0 BEADMN C[C@@]1(O)CC[C@@H](Nc2cccn3cncc23)CC1 ZINC001162360306 964941732 /nfs/dbraw/zinc/94/17/32/964941732.db2.gz GLBPNDNGVPPGML-YEORSEQZSA-N 0 1 245.326 2.440 20 0 BEADMN CCOc1ccnc(N[C@@H]2C[C@@]23CCCOC3)c1 ZINC001162369283 964945222 /nfs/dbraw/zinc/94/52/22/964945222.db2.gz DBJBXRVFOVPDCN-TZMCWYRMSA-N 0 1 248.326 2.461 20 0 BEADMN CCOc1ccnc(N[C@H]2C[C@@]23CCCOC3)c1 ZINC001162369279 964945367 /nfs/dbraw/zinc/94/53/67/964945367.db2.gz DBJBXRVFOVPDCN-GXTWGEPZSA-N 0 1 248.326 2.461 20 0 BEADMN CC(C)C[C@H](CO)Nc1cccn2cncc12 ZINC001162372843 964947056 /nfs/dbraw/zinc/94/70/56/964947056.db2.gz VDPYNYVWKRXEFB-LLVKDONJSA-N 0 1 233.315 2.153 20 0 BEADMN CC(C)(Nc1cc(N)c(F)cn1)C1CC1 ZINC001162517384 965015938 /nfs/dbraw/zinc/01/59/38/965015938.db2.gz TUFYQKRTXLOTHC-UHFFFAOYSA-N 0 1 209.268 2.403 20 0 BEADMN Cc1ccc(NC[C@@H](O)c2ccncc2)nc1C ZINC001162545288 965036320 /nfs/dbraw/zinc/03/63/20/965036320.db2.gz VNNOXALXZBHXLK-CYBMUJFWSA-N 0 1 243.310 2.239 20 0 BEADMN CS/C=C/c1nc([C@H](N)CC(C)C)no1 ZINC000381488154 965039128 /nfs/dbraw/zinc/03/91/28/965039128.db2.gz WEBDWYLQHBYSAN-WTSVBCDHSA-N 0 1 227.333 2.449 20 0 BEADMN Cc1nc(NC(=N)C(C)(C)C)nc2nc[nH]c21 ZINC001162661158 965097630 /nfs/dbraw/zinc/09/76/30/965097630.db2.gz AZXMBVFXJIILOQ-UHFFFAOYSA-N 0 1 232.291 2.048 20 0 BEADMN C[C@@H]1CCCN1Cc1cnc(C(F)(F)F)nc1 ZINC001141451214 965260913 /nfs/dbraw/zinc/26/09/13/965260913.db2.gz JSDJARXKZMRROE-MRVPVSSYSA-N 0 1 245.248 2.480 20 0 BEADMN C[C@@H](NC(=O)CN1CCC(C)CC1)C1(C)CC1 ZINC001120727157 965402073 /nfs/dbraw/zinc/40/20/73/965402073.db2.gz IJLATVACKDHUPN-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccnc(NCc2ccc3cncn3c2)n1 ZINC001163459564 965411770 /nfs/dbraw/zinc/41/17/70/965411770.db2.gz HEZZANRKUZMFAF-UHFFFAOYSA-N 0 1 239.282 2.045 20 0 BEADMN c1nc(N[C@H]2CCCC23CCC3)nc2c1CNC2 ZINC001163516915 965425734 /nfs/dbraw/zinc/42/57/34/965425734.db2.gz GCGPZDVONWYURK-LBPRGKRZSA-N 0 1 244.342 2.215 20 0 BEADMN COC1CN([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168425709 965433900 /nfs/dbraw/zinc/43/39/00/965433900.db2.gz HFVKNTPZAGKOLY-CYBMUJFWSA-N 0 1 235.302 2.014 20 0 BEADMN Cc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)C3=O)cn1 ZINC001233009060 965451751 /nfs/dbraw/zinc/45/17/51/965451751.db2.gz CFYGVGNGBWFKSC-BETUJISGSA-N 0 1 244.338 2.109 20 0 BEADMN CCN(C)c1cc(Cl)nc2[nH]cnc21 ZINC001163583143 965465579 /nfs/dbraw/zinc/46/55/79/965465579.db2.gz JXDKVEFVIIWDQE-UHFFFAOYSA-N 0 1 210.668 2.067 20 0 BEADMN CCN(C)c1cc(C)nc(N(C)C(C)C)n1 ZINC001163617259 965483125 /nfs/dbraw/zinc/48/31/25/965483125.db2.gz DSJKUBDVIOONNV-UHFFFAOYSA-N 0 1 222.336 2.086 20 0 BEADMN O=C1NC(=O)[C@H](Nc2ccc3ccoc3c2)S1 ZINC001163671988 965500068 /nfs/dbraw/zinc/50/00/68/965500068.db2.gz JFAXHHKMAAHVHN-SNVBAGLBSA-N 0 1 248.263 2.154 20 0 BEADMN CN(C)c1cccc(N(C)CC(F)(F)F)n1 ZINC001163706169 965523772 /nfs/dbraw/zinc/52/37/72/965523772.db2.gz HBMRCMWHXUIQGD-UHFFFAOYSA-N 0 1 233.237 2.146 20 0 BEADMN COc1ccnc(N2CC(F)(C3CC3)C2)c1 ZINC001163965811 965665808 /nfs/dbraw/zinc/66/58/08/965665808.db2.gz FFACXRRDCNQLJZ-UHFFFAOYSA-N 0 1 222.263 2.029 20 0 BEADMN Cc1cc(C)nc(N2Cc3cncnc3C2)c1 ZINC001163980765 965675324 /nfs/dbraw/zinc/67/53/24/965675324.db2.gz XFMDNJPSUQDEHB-UHFFFAOYSA-N 0 1 226.283 2.009 20 0 BEADMN CC(C)(C)C(=O)CNc1nccc2c1CCN2 ZINC001164000517 965686815 /nfs/dbraw/zinc/68/68/15/965686815.db2.gz NQWCDBFQPLKGPU-UHFFFAOYSA-N 0 1 233.315 2.077 20 0 BEADMN CC1(Nc2ccc3nc[nH]c3n2)CCC1 ZINC001164025303 965699658 /nfs/dbraw/zinc/69/96/58/965699658.db2.gz OXIIVWZBYRUFGZ-UHFFFAOYSA-N 0 1 202.261 2.312 20 0 BEADMN CNc1ccc(CNc2cc(N)c(F)cn2)cc1 ZINC001164151236 965764263 /nfs/dbraw/zinc/76/42/63/965764263.db2.gz LKABVSPYIODYGG-UHFFFAOYSA-N 0 1 246.289 2.457 20 0 BEADMN O=C1COc2cc(Nc3ccncc3)ccc2N1 ZINC000168796532 965799165 /nfs/dbraw/zinc/79/91/65/965799165.db2.gz RFKUGFGQMCKGAP-UHFFFAOYSA-N 0 1 241.250 2.156 20 0 BEADMN CCc1ncc(CNc2nccs2)[nH]1 ZINC001164243223 965810226 /nfs/dbraw/zinc/81/02/26/965810226.db2.gz GQDUEJPVQQQFHH-UHFFFAOYSA-N 0 1 208.290 2.041 20 0 BEADMN C[C@@H](Cc1cccc(F)c1)N1CC2(COC2)C1 ZINC001168476329 965864726 /nfs/dbraw/zinc/86/47/26/965864726.db2.gz UBBXQRWCEZXKSR-NSHDSACASA-N 0 1 235.302 2.089 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2COC[C@@H]2C)cs1 ZINC000699464019 965882043 /nfs/dbraw/zinc/88/20/43/965882043.db2.gz LSALSESQTKYWFQ-NRPADANISA-N 0 1 226.345 2.137 20 0 BEADMN CC[C@H](NCc1nnc[nH]1)c1ccc(C)c(F)c1 ZINC001307641992 965953395 /nfs/dbraw/zinc/95/33/95/965953395.db2.gz CRKYTOWUJKBYQX-LBPRGKRZSA-N 0 1 248.305 2.493 20 0 BEADMN Cc1nc(CCN(C)c2ccc(C)c(C)n2)no1 ZINC001165215589 965980643 /nfs/dbraw/zinc/98/06/43/965980643.db2.gz GADBEPZNOQKFBO-UHFFFAOYSA-N 0 1 246.314 2.069 20 0 BEADMN CCc1ccc(CN2CCc3nccn3CC2)o1 ZINC001204395612 965981457 /nfs/dbraw/zinc/98/14/57/965981457.db2.gz VHQHVRXNYKAQBS-UHFFFAOYSA-N 0 1 245.326 2.097 20 0 BEADMN CCC(CC)[N@@H+](C)Cc1ncc(F)cn1 ZINC001235018999 965987956 /nfs/dbraw/zinc/98/79/56/965987956.db2.gz VAHHXCIHSIWANY-UHFFFAOYSA-N 0 1 211.284 2.236 20 0 BEADMN CCC(CC)N(C)Cc1ncc(F)cn1 ZINC001235018999 965987972 /nfs/dbraw/zinc/98/79/72/965987972.db2.gz VAHHXCIHSIWANY-UHFFFAOYSA-N 0 1 211.284 2.236 20 0 BEADMN CCOc1ccnc(N2CC3(C2)CCCOC3)c1 ZINC001165305674 966040841 /nfs/dbraw/zinc/04/08/41/966040841.db2.gz ABCCCGNKFRZEIB-UHFFFAOYSA-N 0 1 248.326 2.097 20 0 BEADMN Cc1cc(C)nc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001165365066 966061487 /nfs/dbraw/zinc/06/14/87/966061487.db2.gz IZCZRIXKFHYDNU-SDDRHHMPSA-N 0 1 220.291 2.493 20 0 BEADMN C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000699761835 966067930 /nfs/dbraw/zinc/06/79/30/966067930.db2.gz RUZVJTVILBRZGQ-SCZZXKLOSA-N 0 1 241.718 2.170 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1cccc(O)c1Cl ZINC000699761835 966067949 /nfs/dbraw/zinc/06/79/49/966067949.db2.gz RUZVJTVILBRZGQ-SCZZXKLOSA-N 0 1 241.718 2.170 20 0 BEADMN COCC(C)(C)Nc1ccc2nc[nH]c2c1 ZINC001166049432 966240263 /nfs/dbraw/zinc/24/02/63/966240263.db2.gz BOUAHLQCQXFDRJ-UHFFFAOYSA-N 0 1 219.288 2.400 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)CCN1CC[C@@H](F)C1 ZINC001166453650 966281012 /nfs/dbraw/zinc/28/10/12/966281012.db2.gz KOZKFEXFELSEBL-VXGBXAGGSA-N 0 1 244.354 2.067 20 0 BEADMN Cc1cc(CN(C)c2cc(C)c(C)cn2)n(C)n1 ZINC001166598575 966317199 /nfs/dbraw/zinc/31/71/99/966317199.db2.gz WZAKCYBIHVVTEK-UHFFFAOYSA-N 0 1 244.342 2.377 20 0 BEADMN CC(C)COC(=O)CN1CCCC1(C)C ZINC000181448244 966519188 /nfs/dbraw/zinc/51/91/88/966519188.db2.gz HUONUUWGCGEWRL-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN c1csc(C2CCN(Cc3c[nH]nn3)CC2)c1 ZINC001203205587 966544707 /nfs/dbraw/zinc/54/47/07/966544707.db2.gz HCDBZTQRDMILPD-UHFFFAOYSA-N 0 1 248.355 2.246 20 0 BEADMN Cc1nc2ccc(F)cn2c1NC=CC(C)(C)O ZINC001203216582 966559499 /nfs/dbraw/zinc/55/94/99/966559499.db2.gz MRLNQGBZMWVRQS-VOTSOKGWSA-N 0 1 249.289 2.478 20 0 BEADMN CC(C)(O)CC=Nc1nsc2ncccc12 ZINC001203213840 966560024 /nfs/dbraw/zinc/56/00/24/966560024.db2.gz GJXNXOJVVOEKAR-FNORWQNLSA-N 0 1 235.312 2.388 20 0 BEADMN CN(Cc1cccn1C)C1CC(F)(F)C1 ZINC001203254314 966586055 /nfs/dbraw/zinc/58/60/55/966586055.db2.gz RXCXMPNGYIVQOO-UHFFFAOYSA-N 0 1 214.259 2.255 20 0 BEADMN c1coc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001203272250 966590838 /nfs/dbraw/zinc/59/08/38/966590838.db2.gz DCIDZYPUKKPCHW-DGCLKSJQSA-N 0 1 221.300 2.281 20 0 BEADMN c1coc(CN2CCC[C@]3(CCO3)C2)c1 ZINC001203285800 966599925 /nfs/dbraw/zinc/59/99/25/966599925.db2.gz VCLWHKIABFDVNU-LBPRGKRZSA-N 0 1 207.273 2.035 20 0 BEADMN CCOCCN(CCOCC)Cc1ccco1 ZINC001203285251 966601379 /nfs/dbraw/zinc/60/13/79/966601379.db2.gz AAMWOTWDOGXZCB-UHFFFAOYSA-N 0 1 241.331 2.155 20 0 BEADMN CO[C@@H](C)C1CN(Cc2ccccc2F)C1 ZINC001203357568 966615771 /nfs/dbraw/zinc/61/57/71/966615771.db2.gz QFWPRDXNIPTIGM-JTQLQIEISA-N 0 1 223.291 2.292 20 0 BEADMN Clc1nncc(N=C2CCOC2)c1Cl ZINC001203387566 966624650 /nfs/dbraw/zinc/62/46/50/966624650.db2.gz YQZUIJGMJNQEKH-UHFFFAOYSA-N 0 1 232.070 2.109 20 0 BEADMN COc1cccc(CN2CC[C@H]2C)c1OC ZINC001203443758 966649314 /nfs/dbraw/zinc/64/93/14/966649314.db2.gz MHDIMHXVSRZJLQ-SNVBAGLBSA-N 0 1 221.300 2.298 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@@H](C)C(F)(F)C1 ZINC001237652842 966688674 /nfs/dbraw/zinc/68/86/74/966688674.db2.gz YXDGFURPUCQFNV-SECBINFHSA-N 0 1 243.301 2.449 20 0 BEADMN COc1cc(CN2CCC(C)(C)C2)cnc1F ZINC001238453820 966757083 /nfs/dbraw/zinc/75/70/83/966757083.db2.gz MKBDBLPILLQFRJ-UHFFFAOYSA-N 0 1 238.306 2.461 20 0 BEADMN CO[C@@H](C)C1CN(Cc2cccc(F)c2)C1 ZINC001203788055 966779078 /nfs/dbraw/zinc/77/90/78/966779078.db2.gz FGUKCJPNIKEFIW-JTQLQIEISA-N 0 1 223.291 2.292 20 0 BEADMN CCOc1ccc(CN2CC3(CC(O)C3)C2)cc1 ZINC001203964233 966833194 /nfs/dbraw/zinc/83/31/94/966833194.db2.gz VRXSDEBPNNPGKG-UHFFFAOYSA-N 0 1 247.338 2.042 20 0 BEADMN c1cncc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001204072494 966881471 /nfs/dbraw/zinc/88/14/71/966881471.db2.gz IKFYIVPZXLHELG-UONOGXRCSA-N 0 1 232.327 2.083 20 0 BEADMN c1cncc(CN2CCc3ccncc3C2)c1 ZINC001204075574 966882336 /nfs/dbraw/zinc/88/23/36/966882336.db2.gz KQFXDPYSCPOLSH-UHFFFAOYSA-N 0 1 225.295 2.035 20 0 BEADMN Cc1cnc2c(c1)CN(Cc1ccncc1)CC2 ZINC001204082353 966886673 /nfs/dbraw/zinc/88/66/73/966886673.db2.gz XQOPPVOIPGGIFD-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN COc1cc(CN2CC3(CCC3)C2)ccc1O ZINC001204111591 966895029 /nfs/dbraw/zinc/89/50/29/966895029.db2.gz DYWRFCZNWMLKHH-UHFFFAOYSA-N 0 1 233.311 2.387 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001204153983 966901691 /nfs/dbraw/zinc/90/16/91/966901691.db2.gz AHXMMCGIURJPPF-RWMBFGLXSA-N 0 1 249.285 2.317 20 0 BEADMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC001204151721 966903751 /nfs/dbraw/zinc/90/37/51/966903751.db2.gz XVPXAOUKVOZOEM-SKDRFNHKSA-N 0 1 237.274 2.317 20 0 BEADMN CN(Cc1ccc(Br)nc1)C1CC1 ZINC001204261377 966952550 /nfs/dbraw/zinc/95/25/50/966952550.db2.gz CUHFBCPBXYEVAI-UHFFFAOYSA-N 0 1 241.132 2.438 20 0 BEADMN Cc1ccc(CN2C[C@H](F)C[C@H](CO)C2)cc1 ZINC001204168922 966913287 /nfs/dbraw/zinc/91/32/87/966913287.db2.gz AQVUOZCNJKKEQU-UONOGXRCSA-N 0 1 237.318 2.147 20 0 BEADMN Cc1ccc(CN2CCOC3(CC3)C2)cc1 ZINC001204175392 966916856 /nfs/dbraw/zinc/91/68/56/966916856.db2.gz WTMOEZRJXOVZGC-UHFFFAOYSA-N 0 1 217.312 2.360 20 0 BEADMN C[C@H]1CC[C@@H](CO)N1Cc1cc(F)ccc1F ZINC001204214116 966927672 /nfs/dbraw/zinc/92/76/72/966927672.db2.gz HGJUZLYKVRVXIE-CABZTGNLSA-N 0 1 241.281 2.310 20 0 BEADMN c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)co1 ZINC001204241256 966934649 /nfs/dbraw/zinc/93/46/49/966934649.db2.gz DFFHHFPDUHUEOI-CYBMUJFWSA-N 0 1 221.300 2.282 20 0 BEADMN c1cc(CN2CC[C@@H]3CCCO[C@H]3C2)co1 ZINC001204242005 966937041 /nfs/dbraw/zinc/93/70/41/966937041.db2.gz ORPQVALHOMCQAB-STQMWFEESA-N 0 1 221.300 2.281 20 0 BEADMN F[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC001204244204 966941704 /nfs/dbraw/zinc/94/17/04/966941704.db2.gz TZTZUBIXDSGGLH-GFCCVEGCSA-N 0 1 239.290 2.373 20 0 BEADMN CC[N@H+]1CCN(Cc2ccoc2)C(C)(C)C1 ZINC001204247697 966946990 /nfs/dbraw/zinc/94/69/90/966946990.db2.gz PNOYGBSVZYUXKI-UHFFFAOYSA-N 0 1 222.332 2.196 20 0 BEADMN Cc1ccc(CN2CC3(COC3)C2)cc1C ZINC001204352562 966974556 /nfs/dbraw/zinc/97/45/56/966974556.db2.gz CWJKFUQYTPUQCE-UHFFFAOYSA-N 0 1 217.312 2.136 20 0 BEADMN COC1CCC(Nc2cccc3[nH]nnc32)CC1 ZINC001168608418 966980307 /nfs/dbraw/zinc/98/03/07/966980307.db2.gz JJJQCVZJJJIMQN-UHFFFAOYSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1csc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)n1 ZINC001204374220 966983581 /nfs/dbraw/zinc/98/35/81/966983581.db2.gz DXQBBXKQCHKGHK-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CCC[C@@H](O)[C@H](C)C2)n1 ZINC001204374220 966983587 /nfs/dbraw/zinc/98/35/87/966983587.db2.gz DXQBBXKQCHKGHK-MWLCHTKSSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)n1 ZINC001204374442 966983919 /nfs/dbraw/zinc/98/39/19/966983919.db2.gz KYLSEXAZNIXSAN-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1csc(CN2CC[C@@H](C)[C@](C)(O)C2)n1 ZINC001204374442 966983925 /nfs/dbraw/zinc/98/39/25/966983925.db2.gz KYLSEXAZNIXSAN-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN CCc1ccc(CN2CC([C@@H](C)OC)C2)o1 ZINC001204394449 966993967 /nfs/dbraw/zinc/99/39/67/966993967.db2.gz OGKIWABNIHBEHW-SNVBAGLBSA-N 0 1 223.316 2.309 20 0 BEADMN COc1cc(Nc2cnc(N)c(F)c2)ncc1C ZINC001249760491 967046679 /nfs/dbraw/zinc/04/66/79/967046679.db2.gz NJNUUSAIGBLCSG-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN COc1ccc(-c2ccc(CN(C)C)cn2)cn1 ZINC001239725385 967115920 /nfs/dbraw/zinc/11/59/20/967115920.db2.gz HTRUNBDECHEWOE-UHFFFAOYSA-N 0 1 243.310 2.214 20 0 BEADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC#N)nc1 ZINC001168625975 967122635 /nfs/dbraw/zinc/12/26/35/967122635.db2.gz IMFHEDPAVNVWGB-NSHDSACASA-N 0 1 230.315 2.349 20 0 BEADMN Cc1nocc1C=C(O)c1ccccc1 ZINC001249886848 967128470 /nfs/dbraw/zinc/12/84/70/967128470.db2.gz ZXHBETQERTWKSG-UHFFFAOYSA-N 0 1 201.225 2.408 20 0 BEADMN CC[C@H](C)CN(C)Cc1nc(CO)cs1 ZINC001204867067 967207430 /nfs/dbraw/zinc/20/74/30/967207430.db2.gz RCBSMZCKPVFBGT-VIFPVBQESA-N 0 1 228.361 2.113 20 0 BEADMN CN1CCN(c2ccc(C3=CCCC3)nc2)CC1 ZINC001239788289 967179209 /nfs/dbraw/zinc/17/92/09/967179209.db2.gz BNERKCHHNARJLO-UHFFFAOYSA-N 0 1 243.354 2.401 20 0 BEADMN CCOCCc1cnc(N(C)C)cc1C ZINC001249942226 967183373 /nfs/dbraw/zinc/18/33/73/967183373.db2.gz DKXIUVNKUIRZOC-UHFFFAOYSA-N 0 1 208.305 2.035 20 0 BEADMN C[C@@H]1CCN1Cc1cc(F)cc(N(C)C)c1 ZINC001249944235 967187664 /nfs/dbraw/zinc/18/76/64/967187664.db2.gz UZGCADKBULDODM-SNVBAGLBSA-N 0 1 222.307 2.486 20 0 BEADMN CC(C)=CCc1ccnc(N2CCN(C)CC2)c1 ZINC001249951803 967196595 /nfs/dbraw/zinc/19/65/95/967196595.db2.gz ONQIRVQRXWCPLY-UHFFFAOYSA-N 0 1 245.370 2.342 20 0 BEADMN COc1ncc(-c2cc3nc[nH]c3c(C)c2)cn1 ZINC001239844860 967222930 /nfs/dbraw/zinc/22/29/30/967222930.db2.gz HWWXIXXCQRCCCM-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032788509 967256945 /nfs/dbraw/zinc/25/69/45/967256945.db2.gz GUYIPTQWYRXSNR-KBPBESRZSA-N 0 1 248.370 2.038 20 0 BEADMN CCOc1cc(CN(C)CCSC)ccn1 ZINC001250013919 967271870 /nfs/dbraw/zinc/27/18/70/967271870.db2.gz IVTLLZYXQWFMFE-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN Cc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1F ZINC001205155250 967400854 /nfs/dbraw/zinc/40/08/54/967400854.db2.gz VEBYUZKMGKPXBI-CYBMUJFWSA-N 0 1 237.318 2.481 20 0 BEADMN OCc1cc(-c2nccc3[nH]cnc32)cs1 ZINC001205261411 967451554 /nfs/dbraw/zinc/45/15/54/967451554.db2.gz JHPGKLOHHREJMV-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN OCc1cc(-c2[nH]ccc3ncnc2-3)cs1 ZINC001205261411 967451564 /nfs/dbraw/zinc/45/15/64/967451564.db2.gz JHPGKLOHHREJMV-UHFFFAOYSA-N 0 1 231.280 2.179 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000039073920 967516981 /nfs/dbraw/zinc/51/69/81/967516981.db2.gz MOYNEDJSNLVSOR-GFCCVEGCSA-N 0 1 234.299 2.083 20 0 BEADMN c1cc2cncc(-c3ccc4ncnn4c3)c2[nH]1 ZINC001240357035 967562206 /nfs/dbraw/zinc/56/22/06/967562206.db2.gz YZJPXYCUWVYOLK-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C[C@]1(CN2CCO[C@@H](CCF)C2)CCCCO1 ZINC001474667189 1169909309 /nfs/dbraw/zinc/90/93/09/1169909309.db2.gz ITYAKYYKQPROHV-QWHCGFSZSA-N 0 1 245.338 2.006 20 0 BEADMN CC(C)CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC000142929953 967645039 /nfs/dbraw/zinc/64/50/39/967645039.db2.gz MCZINJLUEHGUMG-GHMZBOCLSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1coc(Nc2ccc3cncn3c2)n1 ZINC001250324644 967707763 /nfs/dbraw/zinc/70/77/63/967707763.db2.gz VGQRGYXOBHCYBG-UHFFFAOYSA-N 0 1 214.228 2.374 20 0 BEADMN Cc1cc(N(C)C)nc(NC(C2CC2)C2CC2)n1 ZINC001168742927 967714749 /nfs/dbraw/zinc/71/47/49/967714749.db2.gz SNWUOOYVXXNBBS-UHFFFAOYSA-N 0 1 246.358 2.452 20 0 BEADMN Cn1ncc(Cl)c1Nc1ccc2cncn2c1 ZINC001250329304 967718642 /nfs/dbraw/zinc/71/86/42/967718642.db2.gz FOVNMMODANBJSX-UHFFFAOYSA-N 0 1 247.689 2.465 20 0 BEADMN CCCCNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001162207923 967739282 /nfs/dbraw/zinc/73/92/82/967739282.db2.gz YUCALRIYXNOOQM-GFCCVEGCSA-N 0 1 236.315 2.461 20 0 BEADMN Cc1noc(Cc2cc(F)c(O)c(Cl)c2)n1 ZINC001250357650 967765078 /nfs/dbraw/zinc/76/50/78/967765078.db2.gz ISVJWHOYJSSMFB-UHFFFAOYSA-N 0 1 242.637 2.467 20 0 BEADMN O=C1CCC2(CC1)CCN(Cc1cnoc1)CC2 ZINC001205724263 967802946 /nfs/dbraw/zinc/80/29/46/967802946.db2.gz LQDXQIOKDGUQOL-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN CC(C)OCCc1ccc2cncn2c1 ZINC001250409391 967816248 /nfs/dbraw/zinc/81/62/48/967816248.db2.gz CDOULJIJGXXCQG-UHFFFAOYSA-N 0 1 204.273 2.302 20 0 BEADMN Cc1cc(Cc2ccc3nc[nH]c3c2)n(C)n1 ZINC001250417130 967826079 /nfs/dbraw/zinc/82/60/79/967826079.db2.gz AYWXJDIGUFPEQT-UHFFFAOYSA-N 0 1 226.283 2.196 20 0 BEADMN CCCc1nc2cc(N3CCOCC3)ccc2[nH]1 ZINC001250426358 967839914 /nfs/dbraw/zinc/83/99/14/967839914.db2.gz VJQANHRFBMVPAP-UHFFFAOYSA-N 0 1 245.326 2.352 20 0 BEADMN COCOc1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC001250433607 967850605 /nfs/dbraw/zinc/85/06/05/967850605.db2.gz SIKZSXHLTDPJLR-VIFPVBQESA-N 0 1 248.282 2.050 20 0 BEADMN Cc1cc2nc([C@@H]3CCC(=O)N3)[nH]c2cc1Cl ZINC001250431612 967851485 /nfs/dbraw/zinc/85/14/85/967851485.db2.gz OQCTZPFQNWSQTA-QMMMGPOBSA-N 0 1 249.701 2.476 20 0 BEADMN Fc1cc(F)c(F)c2[nH]c(-c3cc[nH]n3)nc21 ZINC001250438710 967859442 /nfs/dbraw/zinc/85/94/42/967859442.db2.gz QJPFCXOWLFXMDO-UHFFFAOYSA-N 0 1 238.172 2.370 20 0 BEADMN Cc1cnccc1CN1CCc2ncccc2C1 ZINC001205857963 967859788 /nfs/dbraw/zinc/85/97/88/967859788.db2.gz TYKGWQXUPLDAQN-UHFFFAOYSA-N 0 1 239.322 2.343 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cn[nH]c3)nc21 ZINC001250439248 967862180 /nfs/dbraw/zinc/86/21/80/967862180.db2.gz NCUNHHVRUAKZRK-UHFFFAOYSA-N 0 1 216.219 2.401 20 0 BEADMN CCOc1ccc2nc(-c3cn[nH]c3)[nH]c2c1 ZINC001250439129 967863130 /nfs/dbraw/zinc/86/31/30/967863130.db2.gz LOASSMRVWBPGMP-UHFFFAOYSA-N 0 1 228.255 2.352 20 0 BEADMN COc1cc2[nH]c(-c3cn[nH]n3)nc2cc1Cl ZINC001250441227 967864152 /nfs/dbraw/zinc/86/41/52/967864152.db2.gz LGAMJXSKUUFRTG-UHFFFAOYSA-N 0 1 249.661 2.010 20 0 BEADMN COc1cc2nc(-c3c[nH]nn3)[nH]c2cc1Cl ZINC001250441227 967864157 /nfs/dbraw/zinc/86/41/57/967864157.db2.gz LGAMJXSKUUFRTG-UHFFFAOYSA-N 0 1 249.661 2.010 20 0 BEADMN Fc1ccc2c(c1)nc(-c1c[nH]nn1)n2C1CC1 ZINC001250441783 967864171 /nfs/dbraw/zinc/86/41/71/967864171.db2.gz WRKYKDWOFABCKA-UHFFFAOYSA-N 0 1 243.245 2.295 20 0 BEADMN CCn1c2ccc(C)cc2nc1-c1c[nH]nn1 ZINC001250445045 967870774 /nfs/dbraw/zinc/87/07/74/967870774.db2.gz DAPIWXYTTFNWDQ-UHFFFAOYSA-N 0 1 227.271 2.150 20 0 BEADMN CN(C)Cc1cccc(-c2ncccn2)c1F ZINC001250448416 967874782 /nfs/dbraw/zinc/87/47/82/967874782.db2.gz BNQOPDBXHLLCIE-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN Cc1ccnc(-c2ccc3nn[nH]c3c2)c1 ZINC001250456039 967880308 /nfs/dbraw/zinc/88/03/08/967880308.db2.gz SAPQLKOZYWFCBS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1ccnc(-c2ccc3[nH]nnc3c2)c1 ZINC001250456039 967880307 /nfs/dbraw/zinc/88/03/07/967880307.db2.gz SAPQLKOZYWFCBS-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN Cc1cc2nc(-c3cncn3C)[nH]c2cc1F ZINC001250492447 967963443 /nfs/dbraw/zinc/96/34/43/967963443.db2.gz UZBRFQLWZXJUHZ-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN Cc1cnc(-c2ccc3cncn3c2)nc1 ZINC001250496801 967978561 /nfs/dbraw/zinc/97/85/61/967978561.db2.gz CJGYQCVJBCQSJN-UHFFFAOYSA-N 0 1 210.240 2.100 20 0 BEADMN Cc1c2[nH]c(-c3cnn(C)c3)nc2ccc1F ZINC001250501219 967988416 /nfs/dbraw/zinc/98/84/16/967988416.db2.gz AFIBTSMIRMWXET-UHFFFAOYSA-N 0 1 230.246 2.411 20 0 BEADMN COc1cc2nc(-c3c[nH]cn3)[nH]c2cc1F ZINC001250500081 967990297 /nfs/dbraw/zinc/99/02/97/967990297.db2.gz PRVOADSVRZVURI-UHFFFAOYSA-N 0 1 232.218 2.101 20 0 BEADMN Cc1nc(-c2ccc(O)cc2F)nc2nc[nH]c21 ZINC001206030217 967992064 /nfs/dbraw/zinc/99/20/64/967992064.db2.gz QARKITNSULFNHF-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN Cc1nc(-c2nc3cc4c(cc3[nH]2)OCC4)co1 ZINC001250508642 968004309 /nfs/dbraw/zinc/00/43/09/968004309.db2.gz DKWWLMKUMFTGFY-UHFFFAOYSA-N 0 1 241.250 2.461 20 0 BEADMN COCOc1ccc2nc(-c3cnoc3)[nH]c2c1 ZINC001250508268 968005087 /nfs/dbraw/zinc/00/50/87/968005087.db2.gz KMIAYRRTBXIATL-UHFFFAOYSA-N 0 1 245.238 2.201 20 0 BEADMN CCOc1ccc2nc(-c3ccn(C)n3)[nH]c2c1 ZINC001250511300 968008710 /nfs/dbraw/zinc/00/87/10/968008710.db2.gz HILRPGVAYQAFLG-UHFFFAOYSA-N 0 1 242.282 2.362 20 0 BEADMN CN(C)c1ccc2nc(-c3ccn(C)n3)[nH]c2c1 ZINC001250511972 968011119 /nfs/dbraw/zinc/01/11/19/968011119.db2.gz OYECYYGDDGMJON-UHFFFAOYSA-N 0 1 241.298 2.029 20 0 BEADMN CCOc1ccc2nc(C(OC)OC)[nH]c2c1 ZINC001250540240 968043145 /nfs/dbraw/zinc/04/31/45/968043145.db2.gz IUNMRUZDTFSHON-UHFFFAOYSA-N 0 1 236.271 2.253 20 0 BEADMN CO[C@@H](C)CN1CC(C)(CC(F)(F)F)C1 ZINC001206195685 968124283 /nfs/dbraw/zinc/12/42/83/968124283.db2.gz ZSSYWQSYSTXKFB-QMMMGPOBSA-N 0 1 225.254 2.296 20 0 BEADMN COCCc1nc2c(cc(F)cc2C)[nH]1 ZINC001250595078 968126833 /nfs/dbraw/zinc/12/68/33/968126833.db2.gz KCHFYZVBHJYXRZ-UHFFFAOYSA-N 0 1 208.236 2.199 20 0 BEADMN Oc1c(F)cc(F)c(-c2cncnc2)c1F ZINC001250598258 968130135 /nfs/dbraw/zinc/13/01/35/968130135.db2.gz UNQBYLRMDHCLTF-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN c1cc2cnc(N3CCCCO3)cc2[nH]1 ZINC001163928502 968140225 /nfs/dbraw/zinc/14/02/25/968140225.db2.gz MCLCXQKTMDMVAD-UHFFFAOYSA-N 0 1 203.245 2.095 20 0 BEADMN COCCCc1nc2cc(N(C)C)ccc2[nH]1 ZINC001250602187 968142031 /nfs/dbraw/zinc/14/20/31/968142031.db2.gz GKUAHORBAQYTTK-UHFFFAOYSA-N 0 1 233.315 2.208 20 0 BEADMN COCc1nc2ccc3ncccc3c2[nH]1 ZINC001250603365 968148021 /nfs/dbraw/zinc/14/80/21/968148021.db2.gz RDSNJADDZCOTBH-UHFFFAOYSA-N 0 1 213.240 2.258 20 0 BEADMN O=C1Cc2cc(-c3cccc4cncn43)ccc2N1 ZINC001206220125 968151716 /nfs/dbraw/zinc/15/17/16/968151716.db2.gz ASAAKFXQTASSEH-UHFFFAOYSA-N 0 1 249.273 2.496 20 0 BEADMN CN(CCSC(F)(F)F)Cc1cn[nH]c1 ZINC000685979329 968176712 /nfs/dbraw/zinc/17/67/12/968176712.db2.gz UCCHAHGHBNSEID-UHFFFAOYSA-N 0 1 239.266 2.095 20 0 BEADMN COc1cc2nc(-c3cncnc3)[nH]c2cc1F ZINC001250664535 968192284 /nfs/dbraw/zinc/19/22/84/968192284.db2.gz RNLPQKPPTGGYIE-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN Cc1cc(F)cc2[nH]c(-c3cncnc3)nc21 ZINC001250664722 968192413 /nfs/dbraw/zinc/19/24/13/968192413.db2.gz XBDRXZZKZSNLOH-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CN(C)c1ccc2nc(-c3ccnnc3)[nH]c2c1 ZINC001250831058 968205850 /nfs/dbraw/zinc/20/58/50/968205850.db2.gz SMJDVCLBMCYYPA-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN COc1cc2[nH]c(-c3cccnn3)nc2cc1C ZINC001250828093 968206722 /nfs/dbraw/zinc/20/67/22/968206722.db2.gz IGTJZMMJOCMVHH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1ccc2nc(-c3cccnn3)[nH]c2c1 ZINC001250828488 968207085 /nfs/dbraw/zinc/20/70/85/968207085.db2.gz ONVSJDDMMRYLRH-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN Fc1ccc2nc(-c3cnco3)[nH]c2c1 ZINC001250918156 968213938 /nfs/dbraw/zinc/21/39/38/968213938.db2.gz AICDWMIBNWRUAX-UHFFFAOYSA-N 0 1 203.176 2.357 20 0 BEADMN c1ncc(-c2nc3cc4c(cc3[nH]2)OCC4)o1 ZINC001250920194 968214114 /nfs/dbraw/zinc/21/41/14/968214114.db2.gz LFPAHQKDLXSSCW-UHFFFAOYSA-N 0 1 227.223 2.153 20 0 BEADMN CC(=O)Nc1ccc2nc(-c3cnco3)[nH]c2c1 ZINC001250921064 968214175 /nfs/dbraw/zinc/21/41/75/968214175.db2.gz ZNPVHGCKPPODCE-UHFFFAOYSA-N 0 1 242.238 2.176 20 0 BEADMN COCOc1ccc2nc(-c3ncco3)[nH]c2c1 ZINC001250924443 968217028 /nfs/dbraw/zinc/21/70/28/968217028.db2.gz UBRDAXRMGLUINX-UHFFFAOYSA-N 0 1 245.238 2.201 20 0 BEADMN COCOc1ccc2nc(-c3cocn3)[nH]c2c1 ZINC001250933294 968220642 /nfs/dbraw/zinc/22/06/42/968220642.db2.gz ZXYIMZPHPZOXRK-UHFFFAOYSA-N 0 1 245.238 2.201 20 0 BEADMN C[C@H]1CCN(Cc2ccnn2C)CCC1(F)F ZINC001206322391 968227928 /nfs/dbraw/zinc/22/79/28/968227928.db2.gz CKWKMDDGXHDRSV-JTQLQIEISA-N 0 1 243.301 2.287 20 0 BEADMN Cc1ccc(C)c(NCC2(CO)CCC2)n1 ZINC001164357919 968228646 /nfs/dbraw/zinc/22/86/46/968228646.db2.gz OKKBUFWVUVYOQD-UHFFFAOYSA-N 0 1 220.316 2.273 20 0 BEADMN Cc1nnc(SC[C@H]2CC(C)(C)CO2)[nH]1 ZINC001118985224 968258764 /nfs/dbraw/zinc/25/87/64/968258764.db2.gz OIAGSFJUUIQWPJ-MRVPVSSYSA-N 0 1 227.333 2.020 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCCC(=O)[O-] ZINC000399577061 968293012 /nfs/dbraw/zinc/29/30/12/968293012.db2.gz QLHJEZVQRPQVKG-OUAUKWLOSA-N 0 1 213.321 2.218 20 0 BEADMN CCCCC[N@@H+](C)Cc1cnc(OC)nc1 ZINC001206381940 968270410 /nfs/dbraw/zinc/27/04/10/968270410.db2.gz SCCJSKAKGUPCNA-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN CCCC[N@@H+](CC)Cc1cnc(OC)nc1 ZINC001206382401 968272411 /nfs/dbraw/zinc/27/24/11/968272411.db2.gz YTWAKALUGJINTB-UHFFFAOYSA-N 0 1 223.320 2.107 20 0 BEADMN COc1cc2[nH]c(-c3nc[nH]n3)nc2cc1Cl ZINC001251632358 968294628 /nfs/dbraw/zinc/29/46/28/968294628.db2.gz QRHSCIABEXFITQ-UHFFFAOYSA-N 0 1 249.661 2.010 20 0 BEADMN Fc1cc2[nH]c(-c3nc[nH]n3)nc2cc1Cl ZINC001251627982 968296741 /nfs/dbraw/zinc/29/67/41/968296741.db2.gz KIDLMSVOPDISBL-UHFFFAOYSA-N 0 1 237.625 2.141 20 0 BEADMN COC(=O)c1cccc(CN2CC(C)(C)C2)c1 ZINC001119247250 968298727 /nfs/dbraw/zinc/29/87/27/968298727.db2.gz XBNZYJSXBVFWRB-UHFFFAOYSA-N 0 1 233.311 2.315 20 0 BEADMN Cc1coc(-c2nc3cc4c(cc3[nH]2)OCC4)n1 ZINC001251638936 968299690 /nfs/dbraw/zinc/29/96/90/968299690.db2.gz RMSLFYWAARKLAG-UHFFFAOYSA-N 0 1 241.250 2.461 20 0 BEADMN Cc1c2[nH]c(-c3c[nH]ccc3=O)nc2ccc1F ZINC001251666366 968303069 /nfs/dbraw/zinc/30/30/69/968303069.db2.gz NFUDGYLJCAHPAS-UHFFFAOYSA-N 0 1 243.241 2.366 20 0 BEADMN Cc1ncncc1-c1nc2ccc(F)cc2[nH]1 ZINC001251717637 968305802 /nfs/dbraw/zinc/30/58/02/968305802.db2.gz YMLBMVFHDSFOKV-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nc(CO[C@H]2CCC[N@H+](C)C2)cs1 ZINC001206442651 968306146 /nfs/dbraw/zinc/30/61/46/968306146.db2.gz QAZPRIQJIICYQJ-NSHDSACASA-N 0 1 226.345 2.062 20 0 BEADMN Cn1nncc1-c1nc2ccc(Cl)cc2[nH]1 ZINC001251717243 968308201 /nfs/dbraw/zinc/30/82/01/968308201.db2.gz CWVJMNLRYXMTCS-UHFFFAOYSA-N 0 1 233.662 2.012 20 0 BEADMN COc1cnccc1CN1CCC[C@H](CF)C1 ZINC001206473309 968331373 /nfs/dbraw/zinc/33/13/73/968331373.db2.gz IPCGXOWTHSBJIK-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN Cc1cc(CN(C)c2ccc(C)c(C)n2)n(C)n1 ZINC001166596823 968341131 /nfs/dbraw/zinc/34/11/31/968341131.db2.gz GEIFTBPRKCZNID-UHFFFAOYSA-N 0 1 244.342 2.377 20 0 BEADMN Nc1cc(Nc2ccnc(Cl)c2[O-])cc[nH+]1 ZINC001206542592 968368442 /nfs/dbraw/zinc/36/84/42/968368442.db2.gz DYXHMMJTMINENQ-UHFFFAOYSA-N 0 1 236.662 2.161 20 0 BEADMN Nc1cc(NC(=S)c2ccccc2N)ccn1 ZINC001206567718 968388103 /nfs/dbraw/zinc/38/81/03/968388103.db2.gz BSBCURAMJNJAMS-UHFFFAOYSA-N 0 1 244.323 2.034 20 0 BEADMN C[C@H](O)CNCc1cc(Cl)c(F)cc1F ZINC001251971901 968415364 /nfs/dbraw/zinc/41/53/64/968415364.db2.gz BGNSXSFMNKCDQT-LURJTMIESA-N 0 1 235.661 2.089 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)C[C@@H]1F ZINC001251984121 968423673 /nfs/dbraw/zinc/42/36/73/968423673.db2.gz ZYRZYWQJDXLATL-WXHSDQCUSA-N 0 1 223.291 2.010 20 0 BEADMN CCCCC(=O)[C@H](C)NC[C@@H](O)c1ccccc1 ZINC001252007396 968435302 /nfs/dbraw/zinc/43/53/02/968435302.db2.gz UDSUMJCKCASWNM-SWLSCSKDSA-N 0 1 249.354 2.457 20 0 BEADMN Nc1cc(-c2cc(F)c(O)cc2F)ncc1F ZINC001206768248 968460273 /nfs/dbraw/zinc/46/02/73/968460273.db2.gz UDRPNCXBZLENJI-UHFFFAOYSA-N 0 1 240.184 2.454 20 0 BEADMN C[C@H](O)CCNCc1c(Cl)ccnc1Cl ZINC001206769749 968466199 /nfs/dbraw/zinc/46/61/99/968466199.db2.gz DXOGSANTJOHNJG-ZETCQYMHSA-N 0 1 249.141 2.249 20 0 BEADMN Cc1nc(CN2CCC[C@@H](O)[C@@H](C)C2)cs1 ZINC001206798079 968482816 /nfs/dbraw/zinc/48/28/16/968482816.db2.gz AKAZVGXEVHJKBG-JOYOIKCWSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN(CC2CC2)C2CC2)no1 ZINC001206822221 968492370 /nfs/dbraw/zinc/49/23/70/968492370.db2.gz PFYJGZKQPNVTKU-UHFFFAOYSA-N 0 1 206.289 2.357 20 0 BEADMN CCCC[C@H](O)CNc1[nH]nc2nc(C)ccc21 ZINC001252078940 968496503 /nfs/dbraw/zinc/49/65/03/968496503.db2.gz CXORHNGRMKBSRS-JTQLQIEISA-N 0 1 248.330 2.229 20 0 BEADMN Cc1ccnc(CN2CCC[C@]3(CCO3)C2)c1 ZINC001206852538 968499673 /nfs/dbraw/zinc/49/96/73/968499673.db2.gz BBJZZWQHOSNSFG-AWEZNQCLSA-N 0 1 232.327 2.145 20 0 BEADMN c1snnc1CNC[C@H]1CCc2ccccc21 ZINC001120040867 968515052 /nfs/dbraw/zinc/51/50/52/968515052.db2.gz QOBWPIGPUDVBRF-LLVKDONJSA-N 0 1 245.351 2.358 20 0 BEADMN O=c1[nH]cccc1CN1CC2(C1)CC(F)(F)C2 ZINC001207000844 968534803 /nfs/dbraw/zinc/53/48/03/968534803.db2.gz SREWQQXRFUZYOZ-UHFFFAOYSA-N 0 1 240.253 2.018 20 0 BEADMN c1cnc(CN2CCC23CCCCC3)nc1 ZINC001207010155 968545020 /nfs/dbraw/zinc/54/50/20/968545020.db2.gz JYDFGCFHBZUOQB-UHFFFAOYSA-N 0 1 217.316 2.385 20 0 BEADMN CCCCN(CCC)Cc1ncccn1 ZINC001207012131 968549154 /nfs/dbraw/zinc/54/91/54/968549154.db2.gz JRRZZSYWFPJUGZ-UHFFFAOYSA-N 0 1 207.321 2.489 20 0 BEADMN C[C@@]1(CF)CCN(Cc2cncc(F)c2)C1 ZINC001207017256 968555237 /nfs/dbraw/zinc/55/52/37/968555237.db2.gz RFWDKZOYTIWRCU-LBPRGKRZSA-N 0 1 226.270 2.402 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3ccc(F)cn3)C[C@@H]12 ZINC001207045387 968574812 /nfs/dbraw/zinc/57/48/12/968574812.db2.gz QTJBNWPSVRRXIR-ZWNOBZJWSA-N 0 1 248.301 2.022 20 0 BEADMN CCCC[C@@H](O)CN(C)Cc1cncs1 ZINC001252098406 968580732 /nfs/dbraw/zinc/58/07/32/968580732.db2.gz VAVIADJRVOMVHB-SNVBAGLBSA-N 0 1 228.361 2.126 20 0 BEADMN CCCO[C@H]1CCN(Cc2cnc(C)s2)C1 ZINC001207060587 968590023 /nfs/dbraw/zinc/59/00/23/968590023.db2.gz OKARDKQVGVYPNE-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN CCO[C@@H]1CCN(Cc2cnc(C)s2)C1 ZINC001207063400 968590501 /nfs/dbraw/zinc/59/05/01/968590501.db2.gz WQDIUFYLTKRCNW-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CCCOC1CCN(Cc2cnc(C)cn2)CC1 ZINC001207077526 968609539 /nfs/dbraw/zinc/60/95/39/968609539.db2.gz UDUKBOSHCOKCGF-UHFFFAOYSA-N 0 1 249.358 2.176 20 0 BEADMN CCc1nccc(CN2CCC(C)(F)CC2)n1 ZINC001207082142 968613101 /nfs/dbraw/zinc/61/31/01/968613101.db2.gz GPMWNZOYYWVSOA-UHFFFAOYSA-N 0 1 237.322 2.363 20 0 BEADMN CCc1nccc(CN2CCC(C)(OC)CC2)n1 ZINC001207082929 968614344 /nfs/dbraw/zinc/61/43/44/968614344.db2.gz QYFICVMRJWORIS-UHFFFAOYSA-N 0 1 249.358 2.040 20 0 BEADMN CC(=O)c1ccc2c(c1)CN(CC(C)(C)O)CC2 ZINC001252356992 968637505 /nfs/dbraw/zinc/63/75/05/968637505.db2.gz WDEBRZJBORBBLP-UHFFFAOYSA-N 0 1 247.338 2.018 20 0 BEADMN CC(C)(O)CNCc1c(F)ccc(Cl)c1F ZINC001252365203 968642309 /nfs/dbraw/zinc/64/23/09/968642309.db2.gz HVYSIRBWCKPDRP-UHFFFAOYSA-N 0 1 249.688 2.479 20 0 BEADMN Cc1ccc(F)c(CNCC(C)(C)O)c1F ZINC001252365516 968642596 /nfs/dbraw/zinc/64/25/96/968642596.db2.gz XGKKVKJLXDABII-UHFFFAOYSA-N 0 1 229.270 2.134 20 0 BEADMN Cc1noc(C)c1CN1CCC[C@]2(CCO2)C1 ZINC001207139950 968653134 /nfs/dbraw/zinc/65/31/34/968653134.db2.gz RMCPPAFHLYUYLN-ZDUSSCGKSA-N 0 1 236.315 2.046 20 0 BEADMN FC(F)C1CN(CCOCc2ccccc2)C1 ZINC001207236895 968688938 /nfs/dbraw/zinc/68/89/38/968688938.db2.gz BLDWJEOAHMHDER-UHFFFAOYSA-N 0 1 241.281 2.400 20 0 BEADMN COc1cccc(CCN2CC3(CSC3)C2)c1 ZINC001207434645 968768925 /nfs/dbraw/zinc/76/89/25/968768925.db2.gz QRNSNSFPPDVNSC-UHFFFAOYSA-N 0 1 249.379 2.287 20 0 BEADMN COc1ccccc1CCN1CC(C(F)F)C1 ZINC001207458280 968777654 /nfs/dbraw/zinc/77/76/54/968777654.db2.gz SKGSPQSYWFXSBR-UHFFFAOYSA-N 0 1 241.281 2.435 20 0 BEADMN COc1ccccc1CCN1CC2(CSC2)C1 ZINC001207461389 968784414 /nfs/dbraw/zinc/78/44/14/968784414.db2.gz SNRWCEGWTKLMKL-UHFFFAOYSA-N 0 1 249.379 2.287 20 0 BEADMN CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001085542129 968788492 /nfs/dbraw/zinc/78/84/92/968788492.db2.gz QODXDXMYMIDEKN-ZDUSSCGKSA-N 0 1 236.359 2.039 20 0 BEADMN COc1ccc(CCN(C)Cc2ccno2)cc1 ZINC001207476609 968794026 /nfs/dbraw/zinc/79/40/26/968794026.db2.gz GTYDUXISBOQIES-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN Fc1ccc(CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001207511064 968811900 /nfs/dbraw/zinc/81/19/00/968811900.db2.gz HNYLQRVYQJOULB-GFCCVEGCSA-N 0 1 211.255 2.412 20 0 BEADMN Fc1ccc(CCN2CC[C@@H](F)C2)cc1 ZINC001207511064 968811903 /nfs/dbraw/zinc/81/19/03/968811903.db2.gz HNYLQRVYQJOULB-GFCCVEGCSA-N 0 1 211.255 2.412 20 0 BEADMN Fc1ccc(CC[N@H+]2CCCC23COC3)cc1 ZINC001207515537 968813812 /nfs/dbraw/zinc/81/38/12/968813812.db2.gz TYHDMEKAVCAAIA-UHFFFAOYSA-N 0 1 235.302 2.233 20 0 BEADMN Fc1ccc(CCN2CCCC23COC3)cc1 ZINC001207515537 968813815 /nfs/dbraw/zinc/81/38/15/968813815.db2.gz TYHDMEKAVCAAIA-UHFFFAOYSA-N 0 1 235.302 2.233 20 0 BEADMN O[C@@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1F ZINC001207606430 968831577 /nfs/dbraw/zinc/83/15/77/968831577.db2.gz JSIAMCMFTFCNAX-QWHCGFSZSA-N 0 1 229.339 2.362 20 0 BEADMN O[C@@H]1CN(CCCC2CCCCC2)C[C@@H]1F ZINC001207606430 968831579 /nfs/dbraw/zinc/83/15/79/968831579.db2.gz JSIAMCMFTFCNAX-QWHCGFSZSA-N 0 1 229.339 2.362 20 0 BEADMN COc1cccc(F)c1CN[C@@H]1CCCOC1 ZINC001207685973 968862428 /nfs/dbraw/zinc/86/24/28/968862428.db2.gz ZXOLBCWTMPRVQC-SNVBAGLBSA-N 0 1 239.290 2.103 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1ncc2c(n1)CNC2 ZINC001155071807 968871409 /nfs/dbraw/zinc/87/14/09/968871409.db2.gz CIAOHXWKYORVKC-WDEREUQCSA-N 0 1 246.358 2.318 20 0 BEADMN OC[C@@]1(F)CCN(CC2(c3ccccc3)CC2)C1 ZINC001207830451 968892863 /nfs/dbraw/zinc/89/28/63/968892863.db2.gz FVAXDNNVOQWXQN-OAHLLOKOSA-N 0 1 249.329 2.125 20 0 BEADMN C[C@H]1C[C@@H](NCc2cocn2)CCS1 ZINC000885998945 968972314 /nfs/dbraw/zinc/97/23/14/968972314.db2.gz NMNCBLUWXAAULX-IUCAKERBSA-N 0 1 212.318 2.048 20 0 BEADMN CN(Cc1nccs1)CC1(C)CCOCC1 ZINC001208077770 968974259 /nfs/dbraw/zinc/97/42/59/968974259.db2.gz WVGANIQXGNIWGD-UHFFFAOYSA-N 0 1 240.372 2.392 20 0 BEADMN CCC[C@@H](O)CNCc1cc(F)cnc1Cl ZINC001252805776 968991027 /nfs/dbraw/zinc/99/10/27/968991027.db2.gz OMBTZIIAOPWLGT-SNVBAGLBSA-N 0 1 246.713 2.125 20 0 BEADMN CCOCc1cncc(C2=CCCN(C)C2)c1 ZINC001241572136 969069016 /nfs/dbraw/zinc/06/90/16/969069016.db2.gz RATQKLWYMDENRI-UHFFFAOYSA-N 0 1 232.327 2.337 20 0 BEADMN Cc1cc(CN(C)Cc2ccc(O)cc2)n[nH]1 ZINC001324454833 969087773 /nfs/dbraw/zinc/08/77/73/969087773.db2.gz GMBJIJSNIYYTFI-UHFFFAOYSA-N 0 1 231.299 2.056 20 0 BEADMN COc1nnc(-c2ccc3[nH]cnc3c2)cc1C ZINC001241687997 969088391 /nfs/dbraw/zinc/08/83/91/969088391.db2.gz GPRCEJOZELAEFN-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1ccc(-c2cncc3nc[nH]c32)cn1 ZINC001241703728 969090206 /nfs/dbraw/zinc/09/02/06/969090206.db2.gz CQKZIAUEWSJNGY-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccc(-c2nccc3[nH]cnc32)cn1 ZINC001241701818 969090550 /nfs/dbraw/zinc/09/05/50/969090550.db2.gz PMYBWZGQKQRMMQ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN CCOc1ccc(-c2[nH]ccc3ncnc2-3)cn1 ZINC001241701818 969090562 /nfs/dbraw/zinc/09/05/62/969090562.db2.gz PMYBWZGQKQRMMQ-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN C[C@H](NC[C@@](C)(O)c1ccccc1)c1ccno1 ZINC001253124611 969092722 /nfs/dbraw/zinc/09/27/22/969092722.db2.gz JNRJFLYZJZXRRB-SMDDNHRTSA-N 0 1 246.310 2.233 20 0 BEADMN C[C@H](NC[C@](C)(O)c1ccccc1)c1ccno1 ZINC001253124609 969095086 /nfs/dbraw/zinc/09/50/86/969095086.db2.gz JNRJFLYZJZXRRB-FZMZJTMJSA-N 0 1 246.310 2.233 20 0 BEADMN CC1=C[C@@H](C)[C@@H](CN2CCN(C#N)CC2)CC1 ZINC001208170128 969100995 /nfs/dbraw/zinc/10/09/95/969100995.db2.gz RXJDWJQKUOMFTK-ZIAGYGMSSA-N 0 1 233.359 2.077 20 0 BEADMN C[C@H](CCCO)NCc1csc(C2CC2)n1 ZINC000088762888 969129694 /nfs/dbraw/zinc/12/96/94/969129694.db2.gz DLFMWQWTDLMTQL-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN C=Cc1ccccc1NC(=O)Nc1c[nH]nn1 ZINC001208368716 969140700 /nfs/dbraw/zinc/14/07/00/969140700.db2.gz MCIVVWMBRMRMJZ-UHFFFAOYSA-N 0 1 229.243 2.092 20 0 BEADMN COCc1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241939651 969149317 /nfs/dbraw/zinc/14/93/17/969149317.db2.gz DBFCFAWZHSGFKM-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN COCc1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241939651 969149328 /nfs/dbraw/zinc/14/93/28/969149328.db2.gz DBFCFAWZHSGFKM-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN CN(C)c1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241938089 969149646 /nfs/dbraw/zinc/14/96/46/969149646.db2.gz KNWRBVDTQIPOTN-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN CN(C)c1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241938089 969149651 /nfs/dbraw/zinc/14/96/51/969149651.db2.gz KNWRBVDTQIPOTN-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Cc1ccc(-c2ccc3[nH]nnc3c2)nc1F ZINC001241938788 969149681 /nfs/dbraw/zinc/14/96/81/969149681.db2.gz UGLGPMFLVNSABR-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1ccc(-c2ccc3nn[nH]c3c2)nc1F ZINC001241938788 969149683 /nfs/dbraw/zinc/14/96/83/969149683.db2.gz UGLGPMFLVNSABR-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1nnc(-c2ccc3occc3c2O)o1 ZINC001253387850 969150895 /nfs/dbraw/zinc/15/08/95/969150895.db2.gz VFMUWFBDDIOPHT-UHFFFAOYSA-N 0 1 216.196 2.497 20 0 BEADMN C[C@@H](CCN1CCO[C@H](CO)C1)CC(C)(C)C ZINC001208652626 969179629 /nfs/dbraw/zinc/17/96/29/969179629.db2.gz CYMSHMOUVBLTLR-STQMWFEESA-N 0 1 243.391 2.142 20 0 BEADMN CCCCC[C@H](O)CN[C@@H](C)c1ncc[nH]1 ZINC001253520142 969198135 /nfs/dbraw/zinc/19/81/35/969198135.db2.gz UERQIIHEAOMWSD-QWRGUYRKSA-N 0 1 225.336 2.002 20 0 BEADMN CCCCC[C@H](O)CN1CC(C(F)F)C1 ZINC001253541350 969216416 /nfs/dbraw/zinc/21/64/16/969216416.db2.gz LRKUGIUFCZRTKP-JTQLQIEISA-N 0 1 221.291 2.125 20 0 BEADMN CCCCC[C@@H](O)CNCc1ncccc1F ZINC001253550057 969219851 /nfs/dbraw/zinc/21/98/51/969219851.db2.gz WKVYQPJEPUAMRS-LLVKDONJSA-N 0 1 240.322 2.252 20 0 BEADMN CCCCC[C@@H](O)CNCC(=O)c1ccccc1 ZINC001253549380 969220449 /nfs/dbraw/zinc/22/04/49/969220449.db2.gz AFFRZZOHUIQZLK-CQSZACIVSA-N 0 1 249.354 2.400 20 0 BEADMN CCCCC[C@H](O)CNCc1ncccc1F ZINC001253550058 969222004 /nfs/dbraw/zinc/22/20/04/969222004.db2.gz WKVYQPJEPUAMRS-NSHDSACASA-N 0 1 240.322 2.252 20 0 BEADMN c1cnc([C@@H]2CCCN2C[C@@H]2CCC=CO2)cn1 ZINC001208881617 969270073 /nfs/dbraw/zinc/27/00/73/969270073.db2.gz YMVKDBBBOBUKGN-JSGCOSHPSA-N 0 1 245.326 2.306 20 0 BEADMN Cc1cnc2c(c1)CN(C[C@H]1CCC=CO1)CC2 ZINC001208886373 969277813 /nfs/dbraw/zinc/27/78/13/969277813.db2.gz VDLHDUJOCLHJSQ-CQSZACIVSA-N 0 1 244.338 2.441 20 0 BEADMN COc1cc(-c2ccc(F)cc2O)nc(C)n1 ZINC001242215896 969281805 /nfs/dbraw/zinc/28/18/05/969281805.db2.gz KRBSANDWHZKQLL-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN C[C@@H]1C(=O)N(C)CCN1CC1(C)CCCCC1 ZINC001208903385 969291785 /nfs/dbraw/zinc/29/17/85/969291785.db2.gz QEOLTYBIXUNBCW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H](CN1CC2(CSC2)C1)C(F)(F)F ZINC001208902432 969292555 /nfs/dbraw/zinc/29/25/55/969292555.db2.gz RRKMADPDXRSZPA-ZETCQYMHSA-N 0 1 225.279 2.234 20 0 BEADMN CCC(=O)C(C)(C)CN1CCC[C@H](F)C1 ZINC001208915968 969301056 /nfs/dbraw/zinc/30/10/56/969301056.db2.gz CLFSBUHOYODRQA-JTQLQIEISA-N 0 1 215.312 2.426 20 0 BEADMN CCC(=O)C(C)(C)CN1CCc2cccnc2C1 ZINC001208922262 969308410 /nfs/dbraw/zinc/30/84/10/969308410.db2.gz YCBGJHDFCJLUFM-UHFFFAOYSA-N 0 1 246.354 2.445 20 0 BEADMN CCCS(=O)(=O)Nc1cnc(C2CC2)s1 ZINC001253634713 969318149 /nfs/dbraw/zinc/31/81/49/969318149.db2.gz USCKGSJYXTVFAV-UHFFFAOYSA-N 0 1 246.357 2.172 20 0 BEADMN Cc1cnc(CN)n1-c1cc(F)cc2[nH]ccc21 ZINC001169027619 969345042 /nfs/dbraw/zinc/34/50/42/969345042.db2.gz AFAVWOJLDYUUKN-UHFFFAOYSA-N 0 1 244.273 2.260 20 0 BEADMN Cc1cnc(CN)n1-c1cccc2[nH]cc(F)c21 ZINC001169029958 969352922 /nfs/dbraw/zinc/35/29/22/969352922.db2.gz ZZOPGXVOLBGHCT-UHFFFAOYSA-N 0 1 244.273 2.260 20 0 BEADMN Cc1cnc(CN)n1-c1cc2cc[nH]c2c(C)c1 ZINC001169030689 969353890 /nfs/dbraw/zinc/35/38/90/969353890.db2.gz IISLOYLXWZPQDP-UHFFFAOYSA-N 0 1 240.310 2.429 20 0 BEADMN Cc1cccc2nc(NC[C@@H](O)C(C)C)[nH]c21 ZINC001253752873 969368212 /nfs/dbraw/zinc/36/82/12/969368212.db2.gz XNWKTSPMSQIDBF-LLVKDONJSA-N 0 1 233.315 2.300 20 0 BEADMN CC(C)[C@@H]1CN(CCCc2cccnc2)CCO1 ZINC001209182264 969375971 /nfs/dbraw/zinc/37/59/71/969375971.db2.gz XNLHLRILARCUQH-HNNXBMFYSA-N 0 1 248.370 2.371 20 0 BEADMN CC(=O)[C@@H]1CCCCN1CCCc1ccncc1 ZINC001209189078 969377451 /nfs/dbraw/zinc/37/74/51/969377451.db2.gz LYMBAPQIXHKWSG-HNNXBMFYSA-N 0 1 246.354 2.458 20 0 BEADMN Cc1ccc(F)c(CNC[C@H](O)C(C)C)c1F ZINC001253776397 969396147 /nfs/dbraw/zinc/39/61/47/969396147.db2.gz FYKBIAIJGCZHGG-LBPRGKRZSA-N 0 1 243.297 2.380 20 0 BEADMN CCOC(=O)CCCCCCN(C)CC(C)=O ZINC001209347141 969446853 /nfs/dbraw/zinc/44/68/53/969446853.db2.gz FHDKWELWTJPOEG-UHFFFAOYSA-N 0 1 243.347 2.021 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCc2cnc(C3CC3)nc2C1 ZINC001209427138 969499336 /nfs/dbraw/zinc/49/93/36/969499336.db2.gz OREIIXQURQZFNJ-MFKMUULPSA-N 0 1 243.354 2.368 20 0 BEADMN Cc1cccc2c(CN3CC4(COC4)C3)c[nH]c21 ZINC001209481571 969523173 /nfs/dbraw/zinc/52/31/73/969523173.db2.gz BZAMJDLMFHPXFV-UHFFFAOYSA-N 0 1 242.322 2.309 20 0 BEADMN O[C@@H]1CCC[C@H](Nc2cccn3cncc23)C1 ZINC001169250736 969538283 /nfs/dbraw/zinc/53/82/83/969538283.db2.gz IUJUARPAOMMUGI-WDEREUQCSA-N 0 1 231.299 2.050 20 0 BEADMN CCOC1CN(C2CCC(F)(F)CC2)C1 ZINC001254218526 969541445 /nfs/dbraw/zinc/54/14/45/969541445.db2.gz KJWJPHNYIKXSJO-UHFFFAOYSA-N 0 1 219.275 2.285 20 0 BEADMN c1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)no1 ZINC001209564747 969547607 /nfs/dbraw/zinc/54/76/07/969547607.db2.gz DGGDSJWMQSGOMW-CQSZACIVSA-N 0 1 243.310 2.277 20 0 BEADMN c1cc(CN2CCC[C@@H]2Cc2ccccn2)no1 ZINC001209564747 969547612 /nfs/dbraw/zinc/54/76/12/969547612.db2.gz DGGDSJWMQSGOMW-CQSZACIVSA-N 0 1 243.310 2.277 20 0 BEADMN Cc1[nH]c2ncccc2c1CN1CCO[C@@H](C)C1 ZINC001209586258 969565243 /nfs/dbraw/zinc/56/52/43/969565243.db2.gz VQHNLHKVOUCSQO-JTQLQIEISA-N 0 1 245.326 2.092 20 0 BEADMN CC1(CO)CN(Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209688473 969576038 /nfs/dbraw/zinc/57/60/38/969576038.db2.gz GOKDLKQFZNVQHT-UHFFFAOYSA-N 0 1 248.301 2.121 20 0 BEADMN c1csc([C@@H]2CCCN2[C@H]2CCCOC2)n1 ZINC001254382834 969601237 /nfs/dbraw/zinc/60/12/37/969601237.db2.gz QLYHSHYSEAIFRH-QWRGUYRKSA-N 0 1 238.356 2.459 20 0 BEADMN O=C1SCC[C@@H]1NC1CCC2(CC2)CC1 ZINC001254434711 969625052 /nfs/dbraw/zinc/62/50/52/969625052.db2.gz STAUWKWHJUQFOR-JTQLQIEISA-N 0 1 225.357 2.331 20 0 BEADMN Cc1cc(Nc2ccc3nc[nH]c3c2)n(C)n1 ZINC001209841232 969645824 /nfs/dbraw/zinc/64/58/24/969645824.db2.gz HCOZZKBIJBFGEQ-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN COc1ccc(C)c(Nc2nnco2)c1 ZINC001209837234 969649287 /nfs/dbraw/zinc/64/92/87/969649287.db2.gz FOVGWJIAIGKKBW-UHFFFAOYSA-N 0 1 205.217 2.130 20 0 BEADMN O=c1cc(Nc2ccc3nc[nH]c3c2)cc[nH]1 ZINC001209843543 969654151 /nfs/dbraw/zinc/65/41/51/969654151.db2.gz ZVLXIWPWLRWARN-UHFFFAOYSA-N 0 1 226.239 2.407 20 0 BEADMN OCc1cncc(Nc2ccc3nc[nH]c3c2)c1 ZINC001209847752 969659459 /nfs/dbraw/zinc/65/94/59/969659459.db2.gz HGYUAIYDZRSURX-UHFFFAOYSA-N 0 1 240.266 2.194 20 0 BEADMN Cc1c(Nc2ccc3nc[nH]c3c2)ncn1C ZINC001209849329 969664872 /nfs/dbraw/zinc/66/48/72/969664872.db2.gz WZXPMLNSDKRBEN-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(N(C)C)nc1 ZINC001209962705 969725598 /nfs/dbraw/zinc/72/55/98/969725598.db2.gz YTEWFQMKLWPZTD-UHFFFAOYSA-N 0 1 243.314 2.177 20 0 BEADMN Cc1cc(N)ncc1Nc1ccnn1CC1CC1 ZINC001209964797 969725635 /nfs/dbraw/zinc/72/56/35/969725635.db2.gz DYOIRSPDPDHPHB-UHFFFAOYSA-N 0 1 243.314 2.322 20 0 BEADMN Cc1cc(N)ncc1Nc1ccc(CCO)cc1 ZINC001209965719 969728333 /nfs/dbraw/zinc/72/83/33/969728333.db2.gz GJOQWRBNLYTOSB-UHFFFAOYSA-N 0 1 243.310 2.251 20 0 BEADMN Cc1cc(N)ncc1Nc1ccn2ccnc2c1 ZINC001209965446 969728381 /nfs/dbraw/zinc/72/83/81/969728381.db2.gz CCDNQZABQJPPAZ-UHFFFAOYSA-N 0 1 239.282 2.364 20 0 BEADMN COc1ncc(F)cc1Nc1cnc(N)cc1C ZINC001209965693 969728926 /nfs/dbraw/zinc/72/89/26/969728926.db2.gz ZTCMZPHFOBSUOU-UHFFFAOYSA-N 0 1 248.261 2.259 20 0 BEADMN COc1cncc(Nc2cnc(N)cc2C)c1 ZINC001209965404 969729057 /nfs/dbraw/zinc/72/90/57/969729057.db2.gz UQYMLHKXKIATPR-UHFFFAOYSA-N 0 1 230.271 2.119 20 0 BEADMN Cc1cc(N)ncc1-n1ccc2ccc(N)cc21 ZINC001209966483 969729352 /nfs/dbraw/zinc/72/93/52/969729352.db2.gz BTMSJBBAIODZMC-UHFFFAOYSA-N 0 1 238.294 2.498 20 0 BEADMN Cc1cc(Nc2cnc(N)cc2C)sn1 ZINC001209966955 969730925 /nfs/dbraw/zinc/73/09/25/969730925.db2.gz GBZUVPIYUMLGRE-UHFFFAOYSA-N 0 1 220.301 2.481 20 0 BEADMN C=C/C=C\CCN1CCN(CC)C(=O)[C@H]1CC ZINC001169536400 969731854 /nfs/dbraw/zinc/73/18/54/969731854.db2.gz CFUWIOQJZVUUAV-MEJMFZKBSA-N 0 1 236.359 2.061 20 0 BEADMN CSc1ncc(Nc2cnc(N)cc2C)cn1 ZINC001209966179 969732352 /nfs/dbraw/zinc/73/23/52/969732352.db2.gz CGJLNLQAFYVAGQ-UHFFFAOYSA-N 0 1 247.327 2.228 20 0 BEADMN C=C/C=C/CCN1CCN(CC)C(=O)[C@H]1CC ZINC001169536401 969734578 /nfs/dbraw/zinc/73/45/78/969734578.db2.gz CFUWIOQJZVUUAV-SBDDDAINSA-N 0 1 236.359 2.061 20 0 BEADMN CCc1cnc(Nc2cnc(N)cc2C)cn1 ZINC001209968579 969736203 /nfs/dbraw/zinc/73/62/03/969736203.db2.gz VYMZFTBAKAXAQB-UHFFFAOYSA-N 0 1 229.287 2.068 20 0 BEADMN CC(C)Oc1ccccc1-n1cncc1N ZINC001210023021 969763774 /nfs/dbraw/zinc/76/37/74/969763774.db2.gz RAOWMTXIHAEAOM-UHFFFAOYSA-N 0 1 217.272 2.242 20 0 BEADMN COc1ccc(C(C)=O)cc1Nc1cncn1C ZINC001210076294 969790713 /nfs/dbraw/zinc/79/07/13/969790713.db2.gz UXHKPZTVAJHTRQ-UHFFFAOYSA-N 0 1 245.282 2.375 20 0 BEADMN Cc1cc2n[nH]cc2cc1Nc1ccncc1 ZINC001210100470 969797910 /nfs/dbraw/zinc/79/79/10/969797910.db2.gz UYWYGGPQXSSSSY-UHFFFAOYSA-N 0 1 224.267 2.432 20 0 BEADMN Cc1cc2[nH]ncc2cc1Nc1ccn(C)n1 ZINC001210100144 969798726 /nfs/dbraw/zinc/79/87/26/969798726.db2.gz GKVMASZUOVAUNM-UHFFFAOYSA-N 0 1 227.271 2.348 20 0 BEADMN Cc1c(F)c(F)ccc1Nc1nnco1 ZINC001210130556 969807229 /nfs/dbraw/zinc/80/72/29/969807229.db2.gz WXMZJRWLALDBBM-UHFFFAOYSA-N 0 1 211.171 2.400 20 0 BEADMN Cc1cccc(Nc2cncn2C)c1O ZINC001210187908 969822632 /nfs/dbraw/zinc/82/26/32/969822632.db2.gz RRSOLERMAIOKQY-UHFFFAOYSA-N 0 1 203.245 2.178 20 0 BEADMN Cc1cccc(Nc2ccnc(CO)c2)c1O ZINC001210187350 969822670 /nfs/dbraw/zinc/82/26/70/969822670.db2.gz JRRWBKHCSBQUSC-UHFFFAOYSA-N 0 1 230.267 2.332 20 0 BEADMN Cc1ncn(-c2cccc3cc[nH]c32)c1N ZINC001210211681 969833362 /nfs/dbraw/zinc/83/33/62/969833362.db2.gz LOLVTPZUGXEGMP-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN Oc1c(Cl)cccc1Nc1nnco1 ZINC001210216551 969836144 /nfs/dbraw/zinc/83/61/44/969836144.db2.gz JGAKQQQYOSLMJK-UHFFFAOYSA-N 0 1 211.608 2.172 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)cc1CO ZINC001210247107 969843497 /nfs/dbraw/zinc/84/34/97/969843497.db2.gz IPZVGKSMNJUBMI-UHFFFAOYSA-N 0 1 244.294 2.118 20 0 BEADMN O=C1CCN(C2Cc3ccccc3C2)CC[C@H]1F ZINC001255018950 969849160 /nfs/dbraw/zinc/84/91/60/969849160.db2.gz DGBWWJSTXNXVGG-CQSZACIVSA-N 0 1 247.313 2.157 20 0 BEADMN c1ccc2c(c1)CC(N(C1CC1)C1COC1)C2 ZINC001255027298 969852901 /nfs/dbraw/zinc/85/29/01/969852901.db2.gz PNWMBPPQHPJKER-UHFFFAOYSA-N 0 1 229.323 2.017 20 0 BEADMN c1cc2n(c1)CCN(C1Cc3ccccc3C1)C2 ZINC001255028018 969853701 /nfs/dbraw/zinc/85/37/01/969853701.db2.gz PLCNYIVYIWJBBF-UHFFFAOYSA-N 0 1 238.334 2.471 20 0 BEADMN COc1cccc2c1C[N@H+](C1CCOCC1)CC2 ZINC001255039010 969861166 /nfs/dbraw/zinc/86/11/66/969861166.db2.gz RPSWVGFQJVNZOQ-UHFFFAOYSA-N 0 1 247.338 2.232 20 0 BEADMN COc1ncc(Nc2ccnc(CO)c2)cc1C ZINC001210315088 969862137 /nfs/dbraw/zinc/86/21/37/969862137.db2.gz RMAVKLJQLCJHSF-UHFFFAOYSA-N 0 1 245.282 2.030 20 0 BEADMN CCc1nnc(-c2c(F)cc(O)cc2F)o1 ZINC001255061539 969865240 /nfs/dbraw/zinc/86/52/40/969865240.db2.gz PTWUWQAPHMVPCA-UHFFFAOYSA-N 0 1 226.182 2.283 20 0 BEADMN CCc1nnc(-c2ccc3c(c2)n[nH]c3C)o1 ZINC001255073898 969870963 /nfs/dbraw/zinc/87/09/63/969870963.db2.gz WSDIYZNPJBXKET-UHFFFAOYSA-N 0 1 228.255 2.484 20 0 BEADMN Cc1ncn(C)c1Nc1cnn(C(F)(F)F)c1 ZINC001210361017 969879468 /nfs/dbraw/zinc/87/94/68/969879468.db2.gz SUXGGYCLLPULJH-UHFFFAOYSA-N 0 1 245.208 2.145 20 0 BEADMN Oc1c(F)cccc1-c1ccc2c(n1)NCCO2 ZINC001242352762 969901591 /nfs/dbraw/zinc/90/15/91/969901591.db2.gz PRMOLJXRVJJKBV-UHFFFAOYSA-N 0 1 246.241 2.398 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(CO)c(F)c1 ZINC001210485815 969904168 /nfs/dbraw/zinc/90/41/68/969904168.db2.gz WIWRBWPMNLTCPH-UHFFFAOYSA-N 0 1 235.262 2.104 20 0 BEADMN Nc1cncn1-c1cccc(F)c1Cl ZINC001210540382 969931577 /nfs/dbraw/zinc/93/15/77/969931577.db2.gz CPPNTNFMZDRIAF-UHFFFAOYSA-N 0 1 211.627 2.247 20 0 BEADMN CCc1nnc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH]1 ZINC001255095590 969932580 /nfs/dbraw/zinc/93/25/80/969932580.db2.gz KNYHBPPKSCZXAX-NWDGAFQWSA-N 0 1 248.374 2.379 20 0 BEADMN c1nc2ccnc(-c3nnc(C4CCC4)o3)c2[nH]1 ZINC001255167150 969982141 /nfs/dbraw/zinc/98/21/41/969982141.db2.gz YZDXSWSRXCGCDI-UHFFFAOYSA-N 0 1 241.254 2.275 20 0 BEADMN Cn1cncc1Nc1ccc(C(C)(C)O)cc1 ZINC001210617143 969983859 /nfs/dbraw/zinc/98/38/59/969983859.db2.gz QDKGDNLSBFDGHX-UHFFFAOYSA-N 0 1 231.299 2.391 20 0 BEADMN c1cnc2c(c1)[nH]nc2-c1nnc(C2CCC2)o1 ZINC001255173886 969989783 /nfs/dbraw/zinc/98/97/83/969989783.db2.gz CGROZIABNMHGGI-UHFFFAOYSA-N 0 1 241.254 2.275 20 0 BEADMN CCOc1cncc(Nc2ccnc(CO)c2)c1 ZINC001210663714 969992835 /nfs/dbraw/zinc/99/28/35/969992835.db2.gz SSXXGESBFJKCHV-UHFFFAOYSA-N 0 1 245.282 2.111 20 0 BEADMN c1nc2c([nH]1)CC[C@H](c1nnc(C3CCC3)o1)C2 ZINC001255182125 969996733 /nfs/dbraw/zinc/99/67/33/969996733.db2.gz HKIHUEDCCKZZTA-VIFPVBQESA-N 0 1 244.298 2.333 20 0 BEADMN C1CC(c2nnc(C34CCCN3CCC4)o2)C1 ZINC001255208578 970005730 /nfs/dbraw/zinc/00/57/30/970005730.db2.gz AMOJCMDSBSIEOI-UHFFFAOYSA-N 0 1 233.315 2.422 20 0 BEADMN O=C(CN[C@H]1CCSC1)c1ccc(F)cc1 ZINC001255268411 970020264 /nfs/dbraw/zinc/02/02/64/970020264.db2.gz IFXBJACOPUXJLQ-NSHDSACASA-N 0 1 239.315 2.104 20 0 BEADMN c1nc(CN[C@@H]2CCSC2)cn1C1CCC1 ZINC001255275946 970026313 /nfs/dbraw/zinc/02/63/13/970026313.db2.gz OETBAEIYZHUIIK-SNVBAGLBSA-N 0 1 237.372 2.203 20 0 BEADMN COc1cc(Nc2c(C)ncn2C)cc(C)n1 ZINC001210779061 970027533 /nfs/dbraw/zinc/02/75/33/970027533.db2.gz DZWGSHPFIDAPFA-UHFFFAOYSA-N 0 1 232.287 2.184 20 0 BEADMN C/C=C(\C)c1cc(-c2nn[nH]n2)ccc1OC ZINC001242757351 970052591 /nfs/dbraw/zinc/05/25/91/970052591.db2.gz BDOZBAULMQNHJF-XBXARRHUSA-N 0 1 230.271 2.299 20 0 BEADMN Nc1c(F)cc(Nc2ccncc2)cc1F ZINC001210904575 970063122 /nfs/dbraw/zinc/06/31/22/970063122.db2.gz YLHSBDGLWMYTFT-UHFFFAOYSA-N 0 1 221.210 2.108 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cccnc2NC)C1 ZINC000052731162 970066917 /nfs/dbraw/zinc/06/69/17/970066917.db2.gz MLOHNEKLVDOKGT-CYBMUJFWSA-N 0 1 249.358 2.124 20 0 BEADMN CC(=O)[C@H]1CN(C2CCC(C)(C)CC2)CCO1 ZINC001255308985 970077994 /nfs/dbraw/zinc/07/79/94/970077994.db2.gz NECHWTHTUUHMHZ-CYBMUJFWSA-N 0 1 239.359 2.245 20 0 BEADMN CCCC[C@H](C)N[C@H]1CCSC1=O ZINC001255311698 970078308 /nfs/dbraw/zinc/07/83/08/970078308.db2.gz BEMQREYBCUNGOY-IUCAKERBSA-N 0 1 201.335 2.187 20 0 BEADMN CC(=O)[C@@H]1CN(C2CCC(C)(C)CC2)CCO1 ZINC001255308986 970078897 /nfs/dbraw/zinc/07/88/97/970078897.db2.gz NECHWTHTUUHMHZ-ZDUSSCGKSA-N 0 1 239.359 2.245 20 0 BEADMN COc1ccc2nc(N)n(-c3nccs3)c2c1 ZINC001210986856 970089038 /nfs/dbraw/zinc/08/90/38/970089038.db2.gz FXTSRWLUNXVYNW-UHFFFAOYSA-N 0 1 246.295 2.073 20 0 BEADMN COc1nc(N=C(C)c2ccccc2)cc(=O)[nH]1 ZINC001210982061 970093715 /nfs/dbraw/zinc/09/37/15/970093715.db2.gz HNPQXFSMMSXSEY-UHFFFAOYSA-N 0 1 243.266 2.274 20 0 BEADMN Cc1cnc(Nc2nccs2)nc1C ZINC001210987588 970096246 /nfs/dbraw/zinc/09/62/46/970096246.db2.gz YKTKBVHXQBXZOB-UHFFFAOYSA-N 0 1 206.274 2.294 20 0 BEADMN CCCC[C@@H](C)N1CCN(C(=O)C2CC2)CC1 ZINC001255327992 970107125 /nfs/dbraw/zinc/10/71/25/970107125.db2.gz FCIPPCGWXNTULG-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@@H](C)N1CCN(C(C)C)C(=O)C1 ZINC001255332436 970117552 /nfs/dbraw/zinc/11/75/52/970117552.db2.gz PAWIGAMPZDTQNG-GFCCVEGCSA-N 0 1 226.364 2.118 20 0 BEADMN COC(=O)CC1CN(Cc2ccc(C)s2)C1 ZINC001204033222 970141355 /nfs/dbraw/zinc/14/13/55/970141355.db2.gz LHLJIYCUDCYHBX-UHFFFAOYSA-N 0 1 239.340 2.051 20 0 BEADMN Nc1nc2ccccc2n1-c1cnn2ccccc12 ZINC001211091996 970141828 /nfs/dbraw/zinc/14/18/28/970141828.db2.gz YPNPJQOHLBOEGN-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN Cn1ccnc1Nc1cnccc1Cl ZINC001211208293 970172810 /nfs/dbraw/zinc/17/28/10/970172810.db2.gz OGMNHXRNDKLLKI-UHFFFAOYSA-N 0 1 208.652 2.212 20 0 BEADMN Cn1cncc1Nc1cc(=O)[nH]c2ccccc12 ZINC001211246733 970192185 /nfs/dbraw/zinc/19/21/85/970192185.db2.gz ODWQXVUMPBIKKM-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN Cn1cncc1Nc1c(N)cccc1Cl ZINC001211249840 970192409 /nfs/dbraw/zinc/19/24/09/970192409.db2.gz FCMZLKOFCZZMBN-UHFFFAOYSA-N 0 1 222.679 2.399 20 0 BEADMN Cn1cncc1Nc1cc(C2CCC2)nn1C ZINC001211247346 970192457 /nfs/dbraw/zinc/19/24/57/970192457.db2.gz WJBPUBFEHYISBH-UHFFFAOYSA-N 0 1 231.303 2.165 20 0 BEADMN Cn1cncc1Nc1nsc2ncccc12 ZINC001211246753 970193547 /nfs/dbraw/zinc/19/35/47/970193547.db2.gz PRFLZDBZCNXRND-UHFFFAOYSA-N 0 1 231.284 2.168 20 0 BEADMN Cn1cncc1Nc1cnc(C2CC2)s1 ZINC001211247249 970195340 /nfs/dbraw/zinc/19/53/40/970195340.db2.gz QFERAKXOUFXRDP-UHFFFAOYSA-N 0 1 220.301 2.498 20 0 BEADMN Cc1cc(Nc2cncn2C)n(CC2CCC2)n1 ZINC001211247243 970195362 /nfs/dbraw/zinc/19/53/62/970195362.db2.gz PSXZWRSAVNGBRS-UHFFFAOYSA-N 0 1 245.330 2.469 20 0 BEADMN Cn1cncc1Nc1cnc2ccc(O)cc2c1 ZINC001211246783 970195456 /nfs/dbraw/zinc/19/54/56/970195456.db2.gz RDZBZLLAWKBSJW-UHFFFAOYSA-N 0 1 240.266 2.418 20 0 BEADMN Cn1cncc1Nc1nc(Cl)cnc1Cl ZINC001211247185 970195708 /nfs/dbraw/zinc/19/57/08/970195708.db2.gz MNTKEKDFYUWSSU-UHFFFAOYSA-N 0 1 244.085 2.261 20 0 BEADMN Cn1cncc1Nc1cc(F)c(O)cc1F ZINC001211251977 970198262 /nfs/dbraw/zinc/19/82/62/970198262.db2.gz TVDJUIRVLJDEGF-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN Cn1cncc1N1CCCc2cc(N)ccc21 ZINC001211252261 970201439 /nfs/dbraw/zinc/20/14/39/970201439.db2.gz HVAZZQUAAACDLV-UHFFFAOYSA-N 0 1 228.299 2.087 20 0 BEADMN COc1cnccc1Nc1ccc(F)cc1OC ZINC001211262982 970208027 /nfs/dbraw/zinc/20/80/27/970208027.db2.gz CXHBPQQKNKLEQJ-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN COc1ccc(F)c(Nc2ccncc2OC)c1 ZINC001211263510 970208227 /nfs/dbraw/zinc/20/82/27/970208227.db2.gz AEMYDQAUAFLHCQ-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN COc1cnccc1Nc1cccc(O)c1C ZINC001211263978 970208373 /nfs/dbraw/zinc/20/83/73/970208373.db2.gz QEKNGLFTVADEDO-UHFFFAOYSA-N 0 1 230.267 2.270 20 0 BEADMN CCOc1ccncc1Nc1ccncc1OC ZINC001211260950 970209433 /nfs/dbraw/zinc/20/94/33/970209433.db2.gz XYWGFZAZFWZAFB-UHFFFAOYSA-N 0 1 245.282 2.049 20 0 BEADMN COc1cnccc1Nc1ccc(F)cc1 ZINC001211262209 970211387 /nfs/dbraw/zinc/21/13/87/970211387.db2.gz CCTTWNXCMOZIEI-UHFFFAOYSA-N 0 1 218.231 2.395 20 0 BEADMN COc1cnccc1-n1cnc2cccc(N)c21 ZINC001211260434 970213739 /nfs/dbraw/zinc/21/37/39/970213739.db2.gz MOAIXCLCNFQEIQ-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN COc1cnccc1Nc1ccc(C)c(CO)c1 ZINC001211265156 970217136 /nfs/dbraw/zinc/21/71/36/970217136.db2.gz OMNIDJQMJXPKQR-UHFFFAOYSA-N 0 1 244.294 2.056 20 0 BEADMN Cc1nc(CN[C@H]2CCOC(C)(C)C2)c(C)o1 ZINC001255524534 970284566 /nfs/dbraw/zinc/28/45/66/970284566.db2.gz XTMBVMUNHJIKFB-NSHDSACASA-N 0 1 238.331 2.339 20 0 BEADMN CC(C)(C)c1cc(Nc2cnc(N)cn2)ccn1 ZINC001213162717 970286644 /nfs/dbraw/zinc/28/66/44/970286644.db2.gz JRDUXZAMGXJIHL-UHFFFAOYSA-N 0 1 243.314 2.495 20 0 BEADMN C[C@@H](N[C@H]1CC[C@H](C)C1)c1ncc(F)cn1 ZINC001170108607 970316301 /nfs/dbraw/zinc/31/63/01/970316301.db2.gz DKKIPMIREGKAKV-NGZCFLSTSA-N 0 1 223.295 2.455 20 0 BEADMN CC1(C)C[C@H](N2CCn3cccc3C2)CCO1 ZINC001255549617 970326408 /nfs/dbraw/zinc/32/64/08/970326408.db2.gz MRNYOWMYJDEDBS-GFCCVEGCSA-N 0 1 234.343 2.261 20 0 BEADMN COC[C@H](C)NCC(=O)c1ccc(Cl)cc1 ZINC001255557668 970333162 /nfs/dbraw/zinc/33/31/62/970333162.db2.gz ZVJYLUYHIKXYJS-VIFPVBQESA-N 0 1 241.718 2.147 20 0 BEADMN Clc1cc(-c2nc(-c3cccnc3)no2)n[nH]1 ZINC001213500717 970335623 /nfs/dbraw/zinc/33/56/23/970335623.db2.gz PHTRMAHSZJOVNK-UHFFFAOYSA-N 0 1 247.645 2.175 20 0 BEADMN COc1cc(F)cc(NC(=O)c2cn[nH]c2C)c1 ZINC000301599105 970377753 /nfs/dbraw/zinc/37/77/53/970377753.db2.gz LJDRKDKCEPOSTB-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN COC[C@H](C)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001255579478 970384376 /nfs/dbraw/zinc/38/43/76/970384376.db2.gz UVNREJLDNIWALM-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1cnc(F)c(-c2cc3nc[nH]c3cn2)c1 ZINC001243162694 970395609 /nfs/dbraw/zinc/39/56/09/970395609.db2.gz OHXZHPBXAGOVNK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC(C)Oc1cccc(NC2CN(C(C)C)C2)n1 ZINC001157532143 970413648 /nfs/dbraw/zinc/41/36/48/970413648.db2.gz ULFIRUHAHKTAOP-UHFFFAOYSA-N 0 1 249.358 2.373 20 0 BEADMN CCOc1ccnc(NC2(CC)COC2)c1 ZINC001157536262 970416117 /nfs/dbraw/zinc/41/61/17/970416117.db2.gz LHQUCZVSYZPKLW-UHFFFAOYSA-N 0 1 222.288 2.071 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609642062 970432215 /nfs/dbraw/zinc/43/22/15/970432215.db2.gz BYGUSDSPZQDZCB-ONGXEEELSA-N 0 1 235.283 2.280 20 0 BEADMN C[C@H]1COCC[C@@H]1Nc1ccc2c(n1)CCC2 ZINC000302440589 970437491 /nfs/dbraw/zinc/43/74/91/970437491.db2.gz UAEMITVBFHFAEL-JQWIXIFHSA-N 0 1 232.327 2.407 20 0 BEADMN C[C@@H](CC(F)(F)F)N1CC[C@]12CCOC2 ZINC001255665603 970447064 /nfs/dbraw/zinc/44/70/64/970447064.db2.gz ZEMXGVBTRAVDSE-DTWKUNHWSA-N 0 1 223.238 2.192 20 0 BEADMN Cc1ccc(C[C@@H](C)N2CCOCC2)cc1 ZINC001255784176 970485742 /nfs/dbraw/zinc/48/57/42/970485742.db2.gz LBKMMXUQLGICMJ-CYBMUJFWSA-N 0 1 219.328 2.258 20 0 BEADMN Cc1ccc(C[C@@H](C)N2C[C@@H]3C[C@H]2CO3)cc1 ZINC001255791231 970492131 /nfs/dbraw/zinc/49/21/31/970492131.db2.gz BXBFYBNPFPXZFC-SNPRPXQTSA-N 0 1 231.339 2.399 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC001609717791 970493265 /nfs/dbraw/zinc/49/32/65/970493265.db2.gz FGKTVIWXXPMFMW-SNVBAGLBSA-N 0 1 249.310 2.133 20 0 BEADMN Cc1ccc(C[C@H](C)N(C)C2COC2)cc1 ZINC001255793921 970497917 /nfs/dbraw/zinc/49/79/17/970497917.db2.gz POTJUSJZUMQBOE-LBPRGKRZSA-N 0 1 219.328 2.257 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180327572 970532754 /nfs/dbraw/zinc/53/27/54/970532754.db2.gz HZFARMRUJTUOFH-QMMMGPOBSA-N 0 1 247.298 2.235 20 0 BEADMN CC(=O)CN(C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255868620 970535656 /nfs/dbraw/zinc/53/56/56/970535656.db2.gz OHKKDHQPTZBCHI-JTQLQIEISA-N 0 1 223.291 2.278 20 0 BEADMN Cn1cnc(Nc2ccc(Cl)c(O)c2F)n1 ZINC001214791102 970539722 /nfs/dbraw/zinc/53/97/22/970539722.db2.gz LHMQSAMWIQXXKE-UHFFFAOYSA-N 0 1 242.641 2.057 20 0 BEADMN CC[C@H]1C[C@H](NC2(c3ncccn3)CC2)CCO1 ZINC001170195153 970593200 /nfs/dbraw/zinc/59/32/00/970593200.db2.gz JCHFPMHQUBECQQ-NEPJUHHUSA-N 0 1 247.342 2.013 20 0 BEADMN CC[C@H]1C[C@H](N(C)Cc2ccon2)CCO1 ZINC001170233979 970611495 /nfs/dbraw/zinc/61/14/95/970611495.db2.gz HQNICSWIIGYUCS-NEPJUHHUSA-N 0 1 224.304 2.064 20 0 BEADMN CCCCCc1nnc(-c2cc(C(C)=O)n[nH]2)o1 ZINC001256068218 970634229 /nfs/dbraw/zinc/63/42/29/970634229.db2.gz MQKBTVSICSYTBV-UHFFFAOYSA-N 0 1 248.286 2.395 20 0 BEADMN CCN(Cc1ccc(C)s1)C1CN(C)C1 ZINC001204035747 970665134 /nfs/dbraw/zinc/66/51/34/970665134.db2.gz SGZHQFGTBFVZGV-UHFFFAOYSA-N 0 1 224.373 2.192 20 0 BEADMN CN(Cc1cccc(Cl)n1)[C@H]1CCCOC1 ZINC000401332997 970684111 /nfs/dbraw/zinc/68/41/11/970684111.db2.gz DCNPOPXVYHJAJF-NSHDSACASA-N 0 1 240.734 2.346 20 0 BEADMN Cc1ccc(CN[C@H]2CCCc3n[nH]cc32)o1 ZINC000401539252 970703771 /nfs/dbraw/zinc/70/37/71/970703771.db2.gz GWQZDRDRSUPVMA-LBPRGKRZSA-N 0 1 231.299 2.478 20 0 BEADMN C=Cc1cccc(-n2[n-]c(=O)c(CC[NH3+])c2C)c1 ZINC001170339091 970729750 /nfs/dbraw/zinc/72/97/50/970729750.db2.gz HEYYABRBGNXGHG-UHFFFAOYSA-N 0 1 243.310 2.031 20 0 BEADMN C=Cc1ccccc1-n1[n-]c(=O)c(CC[NH3+])c1C ZINC001170339072 970730469 /nfs/dbraw/zinc/73/04/69/970730469.db2.gz GIKBSKQTJBTXQY-UHFFFAOYSA-N 0 1 243.310 2.031 20 0 BEADMN Cc1c(O)cccc1CN1CC2(C1)CCCOC2 ZINC001144110721 972578797 /nfs/dbraw/zinc/57/87/97/972578797.db2.gz NFUAJOOKXXRXOM-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN Cc1c(O)cccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001144109789 972579612 /nfs/dbraw/zinc/57/96/12/972579612.db2.gz DVSHOKGZERZQLI-BETUJISGSA-N 0 1 245.322 2.397 20 0 BEADMN Cc1oc(C(C)C)cc1C(=O)OCc1nnc[nH]1 ZINC001327489263 972594509 /nfs/dbraw/zinc/59/45/09/972594509.db2.gz DZILIKVLTLUXKF-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN COc1ccc(O)cc1-c1ccc2[nH]nnc2c1 ZINC001222628879 972608979 /nfs/dbraw/zinc/60/89/79/972608979.db2.gz HXBWBRMESFQWKP-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN COc1ccc(O)cc1-c1ccc2nn[nH]c2c1 ZINC001222628879 972608984 /nfs/dbraw/zinc/60/89/84/972608984.db2.gz HXBWBRMESFQWKP-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN CCOc1cccc([C@H](C)NCc2nnc[nH]2)c1 ZINC001327518504 972609004 /nfs/dbraw/zinc/60/90/04/972609004.db2.gz JJKWGSZHUYILOE-JTQLQIEISA-N 0 1 246.314 2.054 20 0 BEADMN Cc1cccc([C@@H](C)NCc2nnc[nH]2)c1C ZINC001327553475 972629443 /nfs/dbraw/zinc/62/94/43/972629443.db2.gz FYVRVXYHTFTXJL-LLVKDONJSA-N 0 1 230.315 2.272 20 0 BEADMN CCOc1ccc(NCc2cc(C)[nH]n2)nc1C ZINC001327599138 972658687 /nfs/dbraw/zinc/65/86/87/972658687.db2.gz PKQNXFMPKZZYJA-UHFFFAOYSA-N 0 1 246.314 2.432 20 0 BEADMN CC(=O)c1ccc(CSCc2nnc[nH]2)cc1 ZINC001327714924 972709914 /nfs/dbraw/zinc/70/99/14/972709914.db2.gz TUQSFWRWPNHKDP-UHFFFAOYSA-N 0 1 247.323 2.441 20 0 BEADMN CN(Cc1ccccc1)Cc1ccc(O)cn1 ZINC001144253355 972713441 /nfs/dbraw/zinc/71/34/41/972713441.db2.gz UBBSDIFYWPLLBU-UHFFFAOYSA-N 0 1 228.295 2.419 20 0 BEADMN ClC(Cl)=CCSCc1nnc[nH]1 ZINC001327728580 972718897 /nfs/dbraw/zinc/71/88/97/972718897.db2.gz SMVQVRGJJSCEEQ-UHFFFAOYSA-N 0 1 224.116 2.357 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1CCCC[C@H]1C ZINC000394793102 972759380 /nfs/dbraw/zinc/75/93/80/972759380.db2.gz OERFNLTXYPNNQC-MNOVXSKESA-N 0 1 213.321 2.219 20 0 BEADMN Fc1ccccc1CN(Cc1nnc[nH]1)C1CC1 ZINC001327862506 972764442 /nfs/dbraw/zinc/76/44/42/972764442.db2.gz CJFIVBWDNKWMEO-UHFFFAOYSA-N 0 1 246.289 2.108 20 0 BEADMN CO[C@@H](COCc1cnc[nH]1)c1ccccc1 ZINC001223001178 972793617 /nfs/dbraw/zinc/79/36/17/972793617.db2.gz VCNWFUMBWOVHPY-ZDUSSCGKSA-N 0 1 232.283 2.314 20 0 BEADMN C[C@@H](OCc1cnc[nH]1)c1cccnc1F ZINC001223008056 972798332 /nfs/dbraw/zinc/79/83/32/972798332.db2.gz UVRDOROKTZNQRD-MRVPVSSYSA-N 0 1 221.235 2.222 20 0 BEADMN C/C(=C\C[N@H+](C)C1CC(C)(C)C1)C(=O)[O-] ZINC000395449619 972799196 /nfs/dbraw/zinc/79/91/96/972799196.db2.gz HUOHPDAGCLWUGY-WEVVVXLNSA-N 0 1 211.305 2.138 20 0 BEADMN c1ncc(COC[C@@H]2CCc3ccccc3O2)[nH]1 ZINC001223001393 972799895 /nfs/dbraw/zinc/79/98/95/972799895.db2.gz IKGRTCICNVGJMJ-ZDUSSCGKSA-N 0 1 244.294 2.320 20 0 BEADMN COc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)nc1 ZINC001144423143 972809646 /nfs/dbraw/zinc/80/96/46/972809646.db2.gz CQJHMTOUGUGHEZ-XHVZSJERSA-N 0 1 236.290 2.023 20 0 BEADMN CC(C)([NH3+])CNc1cc([S-])cc(S)c1 ZINC001171193937 972854614 /nfs/dbraw/zinc/85/46/14/972854614.db2.gz HVXQOLJKHJETFG-UHFFFAOYSA-N 0 1 228.386 2.413 20 0 BEADMN C[N@@H+](Cc1sccc1C(=O)[O-])C1CC1 ZINC001144665807 972927057 /nfs/dbraw/zinc/92/70/57/972927057.db2.gz VUXUNAHZJPLAQA-UHFFFAOYSA-N 0 1 211.286 2.041 20 0 BEADMN CO[C@@H]1CN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC001144711368 972949836 /nfs/dbraw/zinc/94/98/36/972949836.db2.gz WIWNTZGAFWLZMD-QWHCGFSZSA-N 0 1 248.301 2.337 20 0 BEADMN OC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144732442 972968392 /nfs/dbraw/zinc/96/83/92/972968392.db2.gz VYCABEPINFQFAS-UHFFFAOYSA-N 0 1 248.351 2.253 20 0 BEADMN COCC1CN(Cc2ccc3scnc3c2)C1 ZINC001144732850 972969134 /nfs/dbraw/zinc/96/91/34/972969134.db2.gz OSBJTHBFLHVCTE-UHFFFAOYSA-N 0 1 248.351 2.375 20 0 BEADMN Cn1cccc1[C@@H]1COCCN1CC1CC=CC1 ZINC001328410936 973031781 /nfs/dbraw/zinc/03/17/81/973031781.db2.gz XNFSHDLPFXXJTL-HNNXBMFYSA-N 0 1 246.354 2.365 20 0 BEADMN CC1(C)CN(Cc2nnc[nH]2)[C@@H]1c1cccs1 ZINC001328410374 973032573 /nfs/dbraw/zinc/03/25/73/973032573.db2.gz OVBLKGYSZVDOJK-LLVKDONJSA-N 0 1 248.355 2.449 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC3CC2(C)C3)[nH]1 ZINC001328452371 973069098 /nfs/dbraw/zinc/06/90/98/973069098.db2.gz WGACCHPBVHNTTI-UHFFFAOYSA-N 0 1 233.315 2.158 20 0 BEADMN CCCN(CCC)C(=O)[C@H]1CC2CCN1CC2 ZINC001160855706 973084174 /nfs/dbraw/zinc/08/41/74/973084174.db2.gz AZINMTJVCGXBIX-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)c1ncc(C(=O)N2CC[C@@H]3C[C@@H]3C2)[nH]1 ZINC001328499832 973097689 /nfs/dbraw/zinc/09/76/89/973097689.db2.gz LGQUIXIDEYDHSY-NXEZZACHSA-N 0 1 233.315 2.015 20 0 BEADMN CCOC(=O)[C@H](C)CNc1ccc(C)c(C)n1 ZINC001160889226 973103385 /nfs/dbraw/zinc/10/33/85/973103385.db2.gz FPFFNXUSGHSEFI-SNVBAGLBSA-N 0 1 236.315 2.310 20 0 BEADMN Cc1ccncc1COC1CN(C(C)(C)C)C1 ZINC001223541755 973157490 /nfs/dbraw/zinc/15/74/90/973157490.db2.gz VICHOLRPXKHNNJ-UHFFFAOYSA-N 0 1 234.343 2.389 20 0 BEADMN N=C(N)N(C(=O)C1CC=CC1)c1ccccc1F ZINC001146702472 973201017 /nfs/dbraw/zinc/20/10/17/973201017.db2.gz MGRWMIXPRNBCDX-UHFFFAOYSA-N 0 1 247.273 2.018 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccoc1C(=O)[O-] ZINC000399568299 973227642 /nfs/dbraw/zinc/22/76/42/973227642.db2.gz NWHJAYQUWCNFQQ-KXUCPTDWSA-N 0 1 237.299 2.454 20 0 BEADMN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccoc2C(=O)[O-])[C@H]1C ZINC000399568298 973228157 /nfs/dbraw/zinc/22/81/57/973228157.db2.gz NWHJAYQUWCNFQQ-BBBLOLIVSA-N 0 1 237.299 2.454 20 0 BEADMN O=C([O-])c1cccc(C[N@H+]2CC[C@H](C3CC3)C2)n1 ZINC000400088684 973250951 /nfs/dbraw/zinc/25/09/51/973250951.db2.gz RSXLICZGDOWBFW-NSHDSACASA-N 0 1 246.310 2.012 20 0 BEADMN CSc1cccnc1NCc1cc(C)[nH]n1 ZINC001328707583 973287410 /nfs/dbraw/zinc/28/74/10/973287410.db2.gz DVZFNDXHOOAMBO-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1CC1=CCCC1 ZINC000401012661 973338186 /nfs/dbraw/zinc/33/81/86/973338186.db2.gz BHOQYVKZXSGOGI-LBPRGKRZSA-N 0 1 223.316 2.426 20 0 BEADMN C[C@@H](O[C@H]1CN2CCC1CC2)c1nccs1 ZINC001224003953 973392195 /nfs/dbraw/zinc/39/21/95/973392195.db2.gz PIJSDIAGRKNICM-KOLCDFICSA-N 0 1 238.356 2.315 20 0 BEADMN Cc1nc(CN2CC[C@H]3OCCC[C@H]3C2)[nH]c1C ZINC001329059839 973455837 /nfs/dbraw/zinc/45/58/37/973455837.db2.gz GFRSRYYMHOJUIM-QWHCGFSZSA-N 0 1 249.358 2.027 20 0 BEADMN C[N@@H+](C[C@@H]1CC=CCC1)[C@@H](C(=O)[O-])C1CC1 ZINC000402599897 973630504 /nfs/dbraw/zinc/63/05/04/973630504.db2.gz OUZKESPHIXUYRR-ZYHUDNBSSA-N 0 1 223.316 2.138 20 0 BEADMN CC(C)CNCc1nc([C@H](C)C2CC2)no1 ZINC001329433014 973772826 /nfs/dbraw/zinc/77/28/26/973772826.db2.gz JSULYMQVALAQMZ-SECBINFHSA-N 0 1 223.320 2.329 20 0 BEADMN CC(C)c1ncc(C(=O)N(C2CC2)C2CC2)[nH]1 ZINC001329553026 973824038 /nfs/dbraw/zinc/82/40/38/973824038.db2.gz CXEBMZLIWYLEHK-UHFFFAOYSA-N 0 1 233.315 2.300 20 0 BEADMN COc1ccc(C2CC2)c(NCc2nnc[nH]2)c1 ZINC001329632751 973861712 /nfs/dbraw/zinc/86/17/12/973861712.db2.gz OGHMIWPLFPTFBB-UHFFFAOYSA-N 0 1 244.298 2.303 20 0 BEADMN CNCc1nc(-c2cccc3occc32)no1 ZINC001247431314 973944104 /nfs/dbraw/zinc/94/41/04/973944104.db2.gz GQOCYKRLWWKUMW-UHFFFAOYSA-N 0 1 229.239 2.202 20 0 BEADMN C[C@@H]1c2c(F)cccc2CCN1Cc1nnc[nH]1 ZINC001329878252 973994205 /nfs/dbraw/zinc/99/42/05/973994205.db2.gz PFAMCQCQFGECEX-SECBINFHSA-N 0 1 246.289 2.063 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2nnc[nH]2)C1 ZINC001329895277 974010465 /nfs/dbraw/zinc/01/04/65/974010465.db2.gz ORFNCQZWFDFLSI-AAEUAGOBSA-N 0 1 242.326 2.388 20 0 BEADMN CN(C1COC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171433253 974051856 /nfs/dbraw/zinc/05/18/56/974051856.db2.gz KPVTVLBOQGPRFE-LLVKDONJSA-N 0 1 235.302 2.014 20 0 BEADMN Fc1cccc2c1C[C@@H](N1CC[C@H](F)C1)C2 ZINC001171792691 974185147 /nfs/dbraw/zinc/18/51/47/974185147.db2.gz IJIZVHDXKLODMY-QWRGUYRKSA-N 0 1 223.266 2.337 20 0 BEADMN Fc1cccc2c1C[C@H](N1CC[C@H](F)C1)C2 ZINC001171792693 974189218 /nfs/dbraw/zinc/18/92/18/974189218.db2.gz IJIZVHDXKLODMY-WDEREUQCSA-N 0 1 223.266 2.337 20 0 BEADMN CC[C@@H]1COCCN1[C@H]1Cc2cccc(F)c2C1 ZINC001171806479 974196597 /nfs/dbraw/zinc/19/65/97/974196597.db2.gz GCFFOFLKIBQTBC-OLZOCXBDSA-N 0 1 249.329 2.404 20 0 BEADMN CN(Cc1ccno1)[C@H]1Cc2cccc(F)c2C1 ZINC001171809416 974205548 /nfs/dbraw/zinc/20/55/48/974205548.db2.gz JBLFESBAKJOOFQ-NSHDSACASA-N 0 1 246.285 2.413 20 0 BEADMN COc1cccc(O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001225236342 974290862 /nfs/dbraw/zinc/29/08/62/974290862.db2.gz SYJVWAUNSCLUIS-ZDUSSCGKSA-N 0 1 221.300 2.168 20 0 BEADMN CO[C@H](C)c1cccc(NCc2nnc[nH]2)c1 ZINC001330608934 974359262 /nfs/dbraw/zinc/35/92/62/974359262.db2.gz OBGCJQZZYNKANF-SECBINFHSA-N 0 1 232.287 2.124 20 0 BEADMN COC[C@@H](C)NCc1noc2ccc(F)cc12 ZINC001330639675 974375991 /nfs/dbraw/zinc/37/59/91/974375991.db2.gz UYCCKZFRQHWYFH-MRVPVSSYSA-N 0 1 238.262 2.091 20 0 BEADMN Cc1nnc(SC[C@H]2CC3(CCC3)CO2)[nH]1 ZINC001330680837 974411160 /nfs/dbraw/zinc/41/11/60/974411160.db2.gz JURNBODIPNEMQL-SECBINFHSA-N 0 1 239.344 2.164 20 0 BEADMN Cc1nnc(SC[C@@H]2CC3(CCC3)CO2)[nH]1 ZINC001330680839 974412175 /nfs/dbraw/zinc/41/21/75/974412175.db2.gz JURNBODIPNEMQL-VIFPVBQESA-N 0 1 239.344 2.164 20 0 BEADMN CSCCc1ccccc1NCc1nnc[nH]1 ZINC001330688506 974421075 /nfs/dbraw/zinc/42/10/75/974421075.db2.gz YLGYVISWPKXAKI-UHFFFAOYSA-N 0 1 248.355 2.322 20 0 BEADMN CCCCOC1CN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229403 974468659 /nfs/dbraw/zinc/46/86/59/974468659.db2.gz NWTHWQNXVPLMID-YHWZYXNKSA-N 0 1 239.359 2.197 20 0 BEADMN CC1(C)C[C@@H](NCc2cc(Cl)ccn2)CO1 ZINC001172266074 974482410 /nfs/dbraw/zinc/48/24/10/974482410.db2.gz FXRIYJRDJZKXSN-LLVKDONJSA-N 0 1 240.734 2.392 20 0 BEADMN CC1(C)C[C@H](NCc2cc(Cl)ccn2)CO1 ZINC001172266075 974483274 /nfs/dbraw/zinc/48/32/74/974483274.db2.gz FXRIYJRDJZKXSN-NSHDSACASA-N 0 1 240.734 2.392 20 0 BEADMN CCC(=O)CN[C@H]1CSc2ccccc2C1 ZINC001172195761 974484081 /nfs/dbraw/zinc/48/40/81/974484081.db2.gz BRRIOVZXOVIVDT-LLVKDONJSA-N 0 1 235.352 2.272 20 0 BEADMN CC1(C)C[C@@H](n2c(CN)nc3ccccc32)CO1 ZINC001172266903 974486296 /nfs/dbraw/zinc/48/62/96/974486296.db2.gz QLAPJFDBISYRAP-SNVBAGLBSA-N 0 1 245.326 2.235 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)NCc1ncco1 ZINC001172317422 974525092 /nfs/dbraw/zinc/52/50/92/974525092.db2.gz RCSWKIYRJOFZHV-MNOVXSKESA-N 0 1 226.320 2.358 20 0 BEADMN CC1(C)C[C@@H](N2CCc3ccncc3C2)CO1 ZINC001172286463 974551526 /nfs/dbraw/zinc/55/15/26/974551526.db2.gz HVHDZGZSZLHYSW-CYBMUJFWSA-N 0 1 232.327 2.007 20 0 BEADMN COC1(C[N@@H+](C)Cc2ccc(C)cn2)CCC1 ZINC001331026787 974561751 /nfs/dbraw/zinc/56/17/51/974561751.db2.gz DUVBBVFIUNJJDU-UHFFFAOYSA-N 0 1 234.343 2.391 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC[C@H](C)C1 ZINC001331030000 974565710 /nfs/dbraw/zinc/56/57/10/974565710.db2.gz HXPDOWQVVBBPSC-JKOKRWQUSA-N 0 1 246.354 2.300 20 0 BEADMN CC(=O)OC1CN([C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172372583 974569736 /nfs/dbraw/zinc/56/97/36/974569736.db2.gz FZGWFNJVYOQQAC-HOSYDEDBSA-N 0 1 225.332 2.058 20 0 BEADMN C[N@H+]1CC[C@@H](Oc2ccccc2[S-])C1 ZINC001225585480 974571223 /nfs/dbraw/zinc/57/12/23/974571223.db2.gz XBZPCLJTYXJDIM-SECBINFHSA-N 0 1 209.314 2.058 20 0 BEADMN CC(=O)c1ccc(O)cc1O[C@H]1CCCN(C)C1 ZINC001225617191 974597488 /nfs/dbraw/zinc/59/74/88/974597488.db2.gz VMPYMCQOLLGJRW-LBPRGKRZSA-N 0 1 249.310 2.068 20 0 BEADMN CCN1CC[C@@H](Oc2cccc3c2CCC3=O)C1 ZINC001225618361 974598860 /nfs/dbraw/zinc/59/88/60/974598860.db2.gz MKHSWUJDODFKNJ-LLVKDONJSA-N 0 1 245.322 2.289 20 0 BEADMN CC[C@H](C)OCC[C@@H](C)N1CCOCC12CC2 ZINC001172350891 974621342 /nfs/dbraw/zinc/62/13/42/974621342.db2.gz ZYUCNKPNZOHERS-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CC[C@H](CC(C)C)NCc1nnc(C)o1 ZINC001172403165 974654776 /nfs/dbraw/zinc/65/47/76/974654776.db2.gz ZJZGDDJKBCZZHN-SNVBAGLBSA-N 0 1 211.309 2.292 20 0 BEADMN CCOCC[C@H](C)NCc1nc(CC)co1 ZINC001172406525 974664268 /nfs/dbraw/zinc/66/42/68/974664268.db2.gz MEBNHLLDVLBXIE-JTQLQIEISA-N 0 1 226.320 2.142 20 0 BEADMN CCOCC[C@@H](C)NCc1cscn1 ZINC001172407737 974665349 /nfs/dbraw/zinc/66/53/49/974665349.db2.gz YLIMEBGZEQHVSE-SECBINFHSA-N 0 1 214.334 2.048 20 0 BEADMN Cc1cc(CNc2cnc(C)c(C)c2)n[nH]1 ZINC001331289609 974674035 /nfs/dbraw/zinc/67/40/35/974674035.db2.gz SEOPUFZMFTUNTK-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN CCN1CCC[C@@H](Oc2c(O)cccc2F)C1 ZINC001225801475 974688747 /nfs/dbraw/zinc/68/87/47/974688747.db2.gz QNNZIIUJVAUVAX-SNVBAGLBSA-N 0 1 239.290 2.394 20 0 BEADMN CC(C)OCC[C@H](C)NCc1cscn1 ZINC001172429846 974709271 /nfs/dbraw/zinc/70/92/71/974709271.db2.gz ARCSSDSQMGELNL-JTQLQIEISA-N 0 1 228.361 2.436 20 0 BEADMN Cc1ccc(F)c(O[C@@H]2CCN(C)C2)c1F ZINC001225896836 974719607 /nfs/dbraw/zinc/71/96/07/974719607.db2.gz LBABMMKEGIPXER-SECBINFHSA-N 0 1 227.254 2.356 20 0 BEADMN CCCCCC[C@H](CCC)n1nnnc1CN ZINC001172386927 974732253 /nfs/dbraw/zinc/73/22/53/974732253.db2.gz FZNCJVAMXYJERA-NSHDSACASA-N 0 1 239.367 2.443 20 0 BEADMN C[C@H](Oc1cccc2[nH]nnc21)c1ccccn1 ZINC001225990833 974753911 /nfs/dbraw/zinc/75/39/11/974753911.db2.gz LAWXOOLIZYYIKP-VIFPVBQESA-N 0 1 240.266 2.493 20 0 BEADMN c1cc2[nH]nnc2c(OCCOC2CCCC2)c1 ZINC001225991156 974754979 /nfs/dbraw/zinc/75/49/79/974754979.db2.gz VJEIAYJWQBXEHI-UHFFFAOYSA-N 0 1 247.298 2.296 20 0 BEADMN c1cc2[nH]nnc2c(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001225991293 974755728 /nfs/dbraw/zinc/75/57/28/974755728.db2.gz ZIHDHINVBMSEBV-AYMMMOKOSA-N 0 1 215.256 2.135 20 0 BEADMN CO[C@H]1CCN(Cc2ccc(SC)o2)C1 ZINC001331552086 974762193 /nfs/dbraw/zinc/76/21/93/974762193.db2.gz KASWZNXIPPBBIE-VIFPVBQESA-N 0 1 227.329 2.222 20 0 BEADMN CN1CCC[C@@H](Oc2cc(O)ccc2F)C1 ZINC001226122359 974800653 /nfs/dbraw/zinc/80/06/53/974800653.db2.gz MSZFGEWMBMJUAW-SNVBAGLBSA-N 0 1 225.263 2.004 20 0 BEADMN CCC(=O)c1ccccc1NCc1nnc[nH]1 ZINC001331730737 974808019 /nfs/dbraw/zinc/80/80/19/974808019.db2.gz OGSRHHGOPXRFIZ-UHFFFAOYSA-N 0 1 230.271 2.010 20 0 BEADMN C[C@@H]1CC[C@H](Oc2nccc(=O)[nH]2)C[C@H]1C ZINC001226324061 974856755 /nfs/dbraw/zinc/85/67/55/974856755.db2.gz HPHUHBQELFLAKG-BBBLOLIVSA-N 0 1 222.288 2.386 20 0 BEADMN C[C@@H]1CC[C@@H](C)[C@H](Oc2nccc(=O)[nH]2)C1 ZINC001226324275 974857435 /nfs/dbraw/zinc/85/74/35/974857435.db2.gz JRFDJUOYYRZDSX-OPRDCNLKSA-N 0 1 222.288 2.386 20 0 BEADMN CC[C@H](Oc1nccc(=O)[nH]1)C(C)(C)C ZINC001226323469 974857522 /nfs/dbraw/zinc/85/75/22/974857522.db2.gz FAICFZGIAZENBC-QMMMGPOBSA-N 0 1 210.277 2.386 20 0 BEADMN O=c1ccnc(O[C@@H]2CCc3cc(F)ccc32)[nH]1 ZINC001226326854 974858886 /nfs/dbraw/zinc/85/88/86/974858886.db2.gz OMSPUBMXUJKQNR-LLVKDONJSA-N 0 1 246.241 2.388 20 0 BEADMN CC1(O)CN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555601 974870394 /nfs/dbraw/zinc/87/03/94/974870394.db2.gz DVWASNCBSXUBLP-KGLIPLIRSA-N 0 1 231.339 2.389 20 0 BEADMN Nc1cc(O[C@H]2CCCOC2)c2ccccc2n1 ZINC001226415973 974888718 /nfs/dbraw/zinc/88/87/18/974888718.db2.gz BOBGGPJIFPOAKR-JTQLQIEISA-N 0 1 244.294 2.375 20 0 BEADMN Nc1cc(OC2CCOCC2)c2ccccc2n1 ZINC001226416009 974889140 /nfs/dbraw/zinc/88/91/40/974889140.db2.gz CCORWHZIBOSRMV-UHFFFAOYSA-N 0 1 244.294 2.375 20 0 BEADMN Cc1nc(O[C@@H]2CCCC[C@@H]2F)c(F)c(=O)[nH]1 ZINC001226423113 974891218 /nfs/dbraw/zinc/89/12/18/974891218.db2.gz DSUYZHYRAIWGRH-JGVFFNPUSA-N 0 1 244.241 2.289 20 0 BEADMN Clc1ccc2c(c1)C[C@@H](N1C[C@@H]3C[C@H]1CO3)C2 ZINC001172721867 974904102 /nfs/dbraw/zinc/90/41/02/974904102.db2.gz KWEWUUKXICQWMI-IHRRRGAJSA-N 0 1 249.741 2.280 20 0 BEADMN Cc1n[nH]cc1-c1nc(-c2ccc(C)cn2)no1 ZINC001212678890 974908304 /nfs/dbraw/zinc/90/83/04/974908304.db2.gz WZEMULRAZMCSMN-UHFFFAOYSA-N 0 1 241.254 2.139 20 0 BEADMN c1nc(CNCc2ccc3c(c2)CCC3)c[nH]1 ZINC001331990114 974912011 /nfs/dbraw/zinc/91/20/11/974912011.db2.gz OEWJSCZHAHWBLB-UHFFFAOYSA-N 0 1 227.311 2.188 20 0 BEADMN NCc1nccn1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708594 974927078 /nfs/dbraw/zinc/92/70/78/974927078.db2.gz JKWGEWUPSOVCDA-GFCCVEGCSA-N 0 1 247.729 2.335 20 0 BEADMN Cc1nc(C)n(C[C@@H](O)Cc2ccccc2)c1C ZINC001332040431 974928271 /nfs/dbraw/zinc/92/82/71/974928271.db2.gz XPOYYUKLPVNEST-HNNXBMFYSA-N 0 1 244.338 2.412 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000170779039 974933559 /nfs/dbraw/zinc/93/35/59/974933559.db2.gz PIKDVXYSTNNKEB-CYBMUJFWSA-N 0 1 240.391 2.221 20 0 BEADMN CC(=O)CN(C)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172827055 974948764 /nfs/dbraw/zinc/94/87/64/974948764.db2.gz IVOYDBFOGINXOM-OAHLLOKOSA-N 0 1 231.339 2.373 20 0 BEADMN Cc1ccc2c(c1)C[C@H](N1CCO[C@H]3C[C@H]31)CC2 ZINC001172844486 974958667 /nfs/dbraw/zinc/95/86/67/974958667.db2.gz UDTYIZGEZLUGNB-OAGGEKHMSA-N 0 1 243.350 2.325 20 0 BEADMN CCc1coc(CN[C@H]2CCC[C@@H](OC)C2)n1 ZINC001172915421 974965581 /nfs/dbraw/zinc/96/55/81/974965581.db2.gz RELXNVDTJLMMTN-NWDGAFQWSA-N 0 1 238.331 2.284 20 0 BEADMN COc1cccc(O[C@@H]2CCN(C)C2)c1Cl ZINC001226635848 974987854 /nfs/dbraw/zinc/98/78/54/974987854.db2.gz ZUINIEDERVKJBA-SECBINFHSA-N 0 1 241.718 2.432 20 0 BEADMN CCCCOC1CN([C@H]2CCC[C@@H](OC)C2)C1 ZINC001172935393 974991437 /nfs/dbraw/zinc/99/14/37/974991437.db2.gz ASAYEXKOQCNFCO-QWHCGFSZSA-N 0 1 241.375 2.445 20 0 BEADMN CO[C@@H]1CCC[C@@H](N(C)Cc2ccon2)C1 ZINC001172947510 975003725 /nfs/dbraw/zinc/00/37/25/975003725.db2.gz YSSWEEREDKJGMN-VXGBXAGGSA-N 0 1 224.304 2.064 20 0 BEADMN F[C@@H]1CCCN([C@@H]2CCc3ncsc3C2)C1 ZINC001173140102 975046883 /nfs/dbraw/zinc/04/68/83/975046883.db2.gz WNJFJJFWGWYRHG-NXEZZACHSA-N 0 1 240.347 2.434 20 0 BEADMN C[C@H]1C[C@@H](CF)N(Cc2cccn2C)C1 ZINC001203254080 975056822 /nfs/dbraw/zinc/05/68/22/975056822.db2.gz BULAFEAFNSAXTO-JQWIXIFHSA-N 0 1 210.296 2.205 20 0 BEADMN C[C@H]1C[C@H](N[C@H]2CCCC2(F)F)CCO1 ZINC001173169394 975060306 /nfs/dbraw/zinc/06/03/06/975060306.db2.gz OFDMRYXRFMCTOM-AEJSXWLSSA-N 0 1 219.275 2.331 20 0 BEADMN CC[C@H]1CC[C@@H](NCc2ncc(C)cn2)C1 ZINC001173258981 975105702 /nfs/dbraw/zinc/10/57/02/975105702.db2.gz ARHQYPWUWSEODU-NWDGAFQWSA-N 0 1 219.332 2.453 20 0 BEADMN Cc1nocc1-n1c(N)nc2ccc(C)cc21 ZINC001212718069 975122503 /nfs/dbraw/zinc/12/25/03/975122503.db2.gz YXBXBSOSFLSJSY-UHFFFAOYSA-N 0 1 228.255 2.213 20 0 BEADMN CC[C@@H]1CC[C@H](N2CCc3c(ncn3C)C2)C1 ZINC001173294986 975177435 /nfs/dbraw/zinc/17/74/35/975177435.db2.gz OXAXMNZLCSHUMO-NEPJUHHUSA-N 0 1 233.359 2.357 20 0 BEADMN CCSC[C@H](C)NCc1cnc(Cl)cn1 ZINC001173298286 975186786 /nfs/dbraw/zinc/18/67/86/975186786.db2.gz NGPHDOMVMMNBKB-QMMMGPOBSA-N 0 1 245.779 2.361 20 0 BEADMN CO[C@@H](C)CCOc1[nH]c(=O)nc2ccccc21 ZINC001226977703 975198913 /nfs/dbraw/zinc/19/89/13/975198913.db2.gz SJQRHXQRCFMXRC-VIFPVBQESA-N 0 1 248.282 2.139 20 0 BEADMN CCOC[C@H](C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976828 975199388 /nfs/dbraw/zinc/19/93/88/975199388.db2.gz HPEQLZWEJCZHBB-VIFPVBQESA-N 0 1 248.282 2.139 20 0 BEADMN COc1nc(O[C@H]2CC[C@@H](C)CC2)cc(=O)[nH]1 ZINC001227000191 975214609 /nfs/dbraw/zinc/21/46/09/975214609.db2.gz GPFPVUBNEBNOJX-DTORHVGOSA-N 0 1 238.287 2.148 20 0 BEADMN CC[C@@H](Oc1cc(=O)[nH]c(OC)n1)C(C)C ZINC001227001993 975216689 /nfs/dbraw/zinc/21/66/89/975216689.db2.gz JVKLORCGWJHPFN-MRVPVSSYSA-N 0 1 226.276 2.004 20 0 BEADMN CC[C@H]1CC[C@@H](N2CCn3nccc3C2)C1 ZINC001173285102 975242338 /nfs/dbraw/zinc/24/23/38/975242338.db2.gz UZZJHSYALSEJGF-NWDGAFQWSA-N 0 1 219.332 2.277 20 0 BEADMN CC[C@H]1CC[C@H](N2CCc3ncn(C)c3C2)C1 ZINC001173284190 975244009 /nfs/dbraw/zinc/24/40/09/975244009.db2.gz OFZOAUCTNTWFDU-RYUDHWBXSA-N 0 1 233.359 2.357 20 0 BEADMN CC[C@@H]1CC[C@@H](N2CCn3nccc3C2)C1 ZINC001173285104 975244536 /nfs/dbraw/zinc/24/45/36/975244536.db2.gz UZZJHSYALSEJGF-VXGBXAGGSA-N 0 1 219.332 2.277 20 0 BEADMN CCSC[C@@H](C)NCc1nccnc1Cl ZINC001173287828 975252569 /nfs/dbraw/zinc/25/25/69/975252569.db2.gz PBTAHHCLDMCIFD-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN COc1cc(C)c(NCc2cnc[nH]2)cc1F ZINC001332704477 975260687 /nfs/dbraw/zinc/26/06/87/975260687.db2.gz HOCHXEGCUYZMBJ-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN Fc1ccc(C2CN(Cc3cnc[nH]3)C2)cc1 ZINC001332709084 975264557 /nfs/dbraw/zinc/26/45/57/975264557.db2.gz YMQDVWSTRMBRFH-UHFFFAOYSA-N 0 1 231.274 2.148 20 0 BEADMN Cc1[nH]c(=O)nc(OC2CCC2)c1Cl ZINC001227117414 975283668 /nfs/dbraw/zinc/28/36/68/975283668.db2.gz VGUOSNOBBYXYGA-UHFFFAOYSA-N 0 1 214.652 2.075 20 0 BEADMN C[C@H]1CCC[C@H]1Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227268877 975344511 /nfs/dbraw/zinc/34/45/11/975344511.db2.gz VWXUYGGCKZVHIR-IONNQARKSA-N 0 1 233.271 2.231 20 0 BEADMN Cc1ccc2nc(=O)[nH]c(OC3CC3)c2c1 ZINC001227349284 975370580 /nfs/dbraw/zinc/37/05/80/975370580.db2.gz FRQDGTHULRNLDR-UHFFFAOYSA-N 0 1 216.240 2.185 20 0 BEADMN CC(C)[N@H+]1CCC[C@H](Oc2cccccc2=O)C1 ZINC001227421719 975393405 /nfs/dbraw/zinc/39/34/05/975393405.db2.gz QVAPELWUAIAGEQ-ZDUSSCGKSA-N 0 1 247.338 2.298 20 0 BEADMN CC(C)CCCCNCc1csnn1 ZINC000147262067 975401298 /nfs/dbraw/zinc/40/12/98/975401298.db2.gz MGSZGNARCZUEOE-UHFFFAOYSA-N 0 1 213.350 2.454 20 0 BEADMN COc1cc(CN2CC[C@H]2C)cc(OC)c1O ZINC001204120307 975411199 /nfs/dbraw/zinc/41/11/99/975411199.db2.gz AWGHHFVYXWGHHT-SECBINFHSA-N 0 1 237.299 2.004 20 0 BEADMN CC[C@H](Oc1ncnc2nc[nH]c21)C(C)C ZINC001227536546 975522916 /nfs/dbraw/zinc/52/29/16/975522916.db2.gz ZYNZWYCWXXRFSB-QMMMGPOBSA-N 0 1 220.276 2.166 20 0 BEADMN CCC[C@@H](CC)Oc1[nH]c(=S)nnc1C ZINC001227599207 975567402 /nfs/dbraw/zinc/56/74/02/975567402.db2.gz URBFAZCTPMXUQN-MRVPVSSYSA-N 0 1 227.333 2.426 20 0 BEADMN CCC[C@@H](C)Oc1[nH]c(=S)nnc1C ZINC001227599294 975567480 /nfs/dbraw/zinc/56/74/80/975567480.db2.gz XUXJIFARXFOBNJ-ZCFIWIBFSA-N 0 1 213.306 2.036 20 0 BEADMN Cc1nnc(=S)[nH]c1O[C@H]1CCCC[C@@H]1C ZINC001227597357 975567708 /nfs/dbraw/zinc/56/77/08/975567708.db2.gz BFNQBQIRILCWDF-CBAPKCEASA-N 0 1 239.344 2.426 20 0 BEADMN CC[C@H](C)[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227807601 975705698 /nfs/dbraw/zinc/70/56/98/975705698.db2.gz ABQUOVKZCNQKFA-YUMQZZPRSA-N 0 1 235.287 2.477 20 0 BEADMN O=c1nc2cc[nH]c2c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[nH]1 ZINC001227807163 975714636 /nfs/dbraw/zinc/71/46/36/975714636.db2.gz SNFVHAUKPLDDJR-XKSSXDPKSA-N 0 1 243.266 2.007 20 0 BEADMN CCN1CC[C@@H](Oc2nc(Cl)ccc2F)C1 ZINC001227879508 975762050 /nfs/dbraw/zinc/76/20/50/975762050.db2.gz LZHBKGCFRNXLAH-MRVPVSSYSA-N 0 1 244.697 2.347 20 0 BEADMN c1cc(Nc2cccnc2)n(-c2ccncc2)n1 ZINC001173855084 975776754 /nfs/dbraw/zinc/77/67/54/975776754.db2.gz BOMQDXNSOSQAHY-UHFFFAOYSA-N 0 1 237.266 2.406 20 0 BEADMN CCc1ccc(-n2cnc(C)c2N)cc1 ZINC001173868071 975814599 /nfs/dbraw/zinc/81/45/99/975814599.db2.gz GMTLLKUNCMCILG-UHFFFAOYSA-N 0 1 201.273 2.325 20 0 BEADMN Cc1ncn(-c2ccc(F)c(F)c2)c1N ZINC001173867897 975814922 /nfs/dbraw/zinc/81/49/22/975814922.db2.gz WATGOKZDGOOPCN-UHFFFAOYSA-N 0 1 209.199 2.041 20 0 BEADMN CC(=O)Nc1cccc(Nc2cncn2C)c1 ZINC001173830081 975849488 /nfs/dbraw/zinc/84/94/88/975849488.db2.gz IRHJOXOQERPTFK-UHFFFAOYSA-N 0 1 230.271 2.122 20 0 BEADMN CC1(C)CCCN(Cc2cnc3n2CCOC3)C1 ZINC001333628656 975907685 /nfs/dbraw/zinc/90/76/85/975907685.db2.gz KRYSYIZROVDXBT-UHFFFAOYSA-N 0 1 249.358 2.035 20 0 BEADMN Fc1cc(F)c(Nc2ccncc2)nc1F ZINC001173879206 975908181 /nfs/dbraw/zinc/90/81/81/975908181.db2.gz LCODWHFOZHFYGR-UHFFFAOYSA-N 0 1 225.173 2.059 20 0 BEADMN O=c1cc(Nc2ccncc2)n(C2CCCC2)[nH]1 ZINC001173879464 975916469 /nfs/dbraw/zinc/91/64/69/975916469.db2.gz PHHHGLOXRVLNMM-UHFFFAOYSA-N 0 1 244.298 2.264 20 0 BEADMN CCOc1ncccc1Nc1ccncc1 ZINC001173881184 975916529 /nfs/dbraw/zinc/91/65/29/975916529.db2.gz FJMFVGYZHAJHPA-UHFFFAOYSA-N 0 1 215.256 2.041 20 0 BEADMN c1sc2nccnc2c1Nc1ccncc1 ZINC001173881754 975919748 /nfs/dbraw/zinc/91/97/48/975919748.db2.gz ISSMFNLYZCHIRX-UHFFFAOYSA-N 0 1 228.280 2.252 20 0 BEADMN Clc1cnnc(Cl)c1Nc1ccncc1 ZINC001173881462 975920522 /nfs/dbraw/zinc/92/05/22/975920522.db2.gz UPHCZGRSMDVODW-UHFFFAOYSA-N 0 1 241.081 2.344 20 0 BEADMN COC(=O)c1csc(C)c1Nc1ccncc1 ZINC001173881328 975921587 /nfs/dbraw/zinc/92/15/87/975921587.db2.gz NBSSWZJWRNTJQI-UHFFFAOYSA-N 0 1 248.307 2.404 20 0 BEADMN CN(c1ccncc1)c1nc(Cl)ccc1N ZINC001173881448 975923209 /nfs/dbraw/zinc/92/32/09/975923209.db2.gz SYTLZGPAOOOYJV-UHFFFAOYSA-N 0 1 234.690 2.480 20 0 BEADMN c1c(-c2ccncc2)noc1Nc1ccncc1 ZINC001173881545 975923299 /nfs/dbraw/zinc/92/32/99/975923299.db2.gz YDYNDYVPVJTOPJ-UHFFFAOYSA-N 0 1 238.250 2.297 20 0 BEADMN Cn1ccc2cc(Nc3ccncc3)cnc21 ZINC001173881931 975930922 /nfs/dbraw/zinc/93/09/22/975930922.db2.gz NJBQIFLJIVPHJS-UHFFFAOYSA-N 0 1 224.267 2.134 20 0 BEADMN Cc1ccc(N)c2nn(-c3ccncc3)cc21 ZINC001173882166 975934332 /nfs/dbraw/zinc/93/43/32/975934332.db2.gz BFWXCNZWLCNENL-UHFFFAOYSA-N 0 1 224.267 2.311 20 0 BEADMN Cc1ccnc(F)c1Nc1ccncc1 ZINC001173882519 975934717 /nfs/dbraw/zinc/93/47/17/975934717.db2.gz XPUCNGCJTNSILM-UHFFFAOYSA-N 0 1 203.220 2.090 20 0 BEADMN COc1cc(Cl)ncc1Nc1ccncc1 ZINC001173882065 975935293 /nfs/dbraw/zinc/93/52/93/975935293.db2.gz IXWWJHHJKWVGOM-UHFFFAOYSA-N 0 1 235.674 2.304 20 0 BEADMN O=C1CCc2cc(Nc3ccncc3)ccc2N1 ZINC001173883179 975941355 /nfs/dbraw/zinc/94/13/55/975941355.db2.gz JQHKTJZTDFHSDG-UHFFFAOYSA-N 0 1 239.278 2.132 20 0 BEADMN COc1cc2c(cnn2-c2ccncc2)cc1N ZINC001173883120 975945528 /nfs/dbraw/zinc/94/55/28/975945528.db2.gz IAOSCCBVEFDSHI-UHFFFAOYSA-N 0 1 240.266 2.011 20 0 BEADMN FC(F)(F)c1cnnc(Nc2ccncc2)c1 ZINC001173882886 975949187 /nfs/dbraw/zinc/94/91/87/975949187.db2.gz VBELJLXIDHILMI-UHFFFAOYSA-N 0 1 240.188 2.056 20 0 BEADMN COC(=O)c1ccc(F)c(Nc2ccncc2)c1 ZINC001173883383 975951623 /nfs/dbraw/zinc/95/16/23/975951623.db2.gz OAYZTEFRGOCTOZ-UHFFFAOYSA-N 0 1 246.241 2.173 20 0 BEADMN O=C1CCc2c1cccc2Nc1ccncc1 ZINC001173883644 975953123 /nfs/dbraw/zinc/95/31/23/975953123.db2.gz OSSCJTDWQHNOJK-UHFFFAOYSA-N 0 1 224.263 2.376 20 0 BEADMN Oc1cc(F)c(Nc2ccncc2)c(F)c1 ZINC001173884718 975968333 /nfs/dbraw/zinc/96/83/33/975968333.db2.gz XQXMNMUBYXCUIP-UHFFFAOYSA-N 0 1 222.194 2.231 20 0 BEADMN c1noc2c1cccc2Nc1ccncc1 ZINC001173884026 975969518 /nfs/dbraw/zinc/96/95/18/975969518.db2.gz CTCMYNKCMXMRGT-UHFFFAOYSA-N 0 1 211.224 2.388 20 0 BEADMN COc1ccc(Nc2ccncc2)c(OC)c1F ZINC001173884147 975970645 /nfs/dbraw/zinc/97/06/45/975970645.db2.gz JWVWOXVYVUKNQF-UHFFFAOYSA-N 0 1 248.257 2.403 20 0 BEADMN c1ccc(C2OCCO2)c(Nc2ccncc2)c1 ZINC001173884286 975972354 /nfs/dbraw/zinc/97/23/54/975972354.db2.gz LNBZCFZWVJKUTN-UHFFFAOYSA-N 0 1 242.278 2.293 20 0 BEADMN Cc1ncn(-c2ccc3[nH]ccc3c2)c1N ZINC001173940114 976083353 /nfs/dbraw/zinc/08/33/53/976083353.db2.gz HQBFOVZXVLYDRM-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN COc1cccc(F)c1CN[C@H]1CCO[C@@H]1C ZINC001333877257 976141555 /nfs/dbraw/zinc/14/15/55/976141555.db2.gz WGLKWGKWEQOUTD-SKDRFNHKSA-N 0 1 239.290 2.101 20 0 BEADMN CSC(C)(C)C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001333888860 976145207 /nfs/dbraw/zinc/14/52/07/976145207.db2.gz YHRFQXGVHUTPRS-UHFFFAOYSA-N 0 1 242.348 2.008 20 0 BEADMN CSC(C)(C)C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001333888860 976145216 /nfs/dbraw/zinc/14/52/16/976145216.db2.gz YHRFQXGVHUTPRS-UHFFFAOYSA-N 0 1 242.348 2.008 20 0 BEADMN C[C@@H]1CCC[C@H](C)[C@H]1Oc1nc(O)cc(=O)[nH]1 ZINC001228389273 976185610 /nfs/dbraw/zinc/18/56/10/976185610.db2.gz UJXJEFOQLSKKGE-VROVMSAKSA-N 0 1 238.287 2.091 20 0 BEADMN CC(=O)Nc1ccc(Nc2c(C)ncn2C)cc1 ZINC001173975905 976198164 /nfs/dbraw/zinc/19/81/64/976198164.db2.gz ZAKLIEIQXOATMB-UHFFFAOYSA-N 0 1 244.298 2.431 20 0 BEADMN Cc1nnc(N=c2cc[nH]c3ccccc32)o1 ZINC001174036785 976241546 /nfs/dbraw/zinc/24/15/46/976241546.db2.gz FNJKFVQYMQMTNX-UHFFFAOYSA-N 0 1 226.239 2.092 20 0 BEADMN Cc1ncn(C)c1Nc1ccnc2ccccc21 ZINC001174038369 976247225 /nfs/dbraw/zinc/24/72/25/976247225.db2.gz SUHYWBIAGGTAGS-UHFFFAOYSA-N 0 1 238.294 2.442 20 0 BEADMN O=c1nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c(Cl)c[nH]1 ZINC001228483949 976254997 /nfs/dbraw/zinc/25/49/97/976254997.db2.gz ZRTDCOZLJRHPBD-BKPPORCPSA-N 0 1 240.690 2.403 20 0 BEADMN C[C@@H](C[N@H+](C)[C@@H](C)Cc1ccsc1)C(=O)[O-] ZINC000689945639 976268535 /nfs/dbraw/zinc/26/85/35/976268535.db2.gz IZFVIBWBHXZMBY-UWVGGRQHSA-N 0 1 241.356 2.332 20 0 BEADMN COCc1cccc(Nc2ccnc(CO)c2)c1 ZINC001174093760 976290545 /nfs/dbraw/zinc/29/05/45/976290545.db2.gz WZHSOTJDCHURDD-UHFFFAOYSA-N 0 1 244.294 2.464 20 0 BEADMN COc1ccc(-n2cnc(C)c2N)cc1Cl ZINC001174152480 976378474 /nfs/dbraw/zinc/37/84/74/976378474.db2.gz WPRFFJQPIUMDHW-UHFFFAOYSA-N 0 1 237.690 2.425 20 0 BEADMN CC(C)[C@@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228662901 976407827 /nfs/dbraw/zinc/40/78/27/976407827.db2.gz NPACLSREFXHOAU-MRVPVSSYSA-N 0 1 205.261 2.381 20 0 BEADMN C[C@@H](Oc1ccc2[nH]nnc2c1)C1CCOCC1 ZINC001228664166 976420466 /nfs/dbraw/zinc/42/04/66/976420466.db2.gz MGDSCHHTAYLZCM-SECBINFHSA-N 0 1 247.298 2.152 20 0 BEADMN C1=C[C@@H]2C[C@H]1C[C@H]2Oc1ccc2[nH]nnc2c1 ZINC001228663577 976421756 /nfs/dbraw/zinc/42/17/56/976421756.db2.gz DLSVLLMPUMLFCR-IGJMFERPSA-N 0 1 227.267 2.301 20 0 BEADMN c1cc(OC2CCSCC2)cc2nn[nH]c12 ZINC001228667779 976425166 /nfs/dbraw/zinc/42/51/66/976425166.db2.gz SJLNHRCVQUWOQY-UHFFFAOYSA-N 0 1 235.312 2.232 20 0 BEADMN Cc1ncn(C)c1Nc1ccc(C)nc1 ZINC001174281862 976437410 /nfs/dbraw/zinc/43/74/10/976437410.db2.gz QXGDVQWJFUHIBS-UHFFFAOYSA-N 0 1 202.261 2.176 20 0 BEADMN O=c1cc(Nc2cncc(F)c2)nc(Cl)[nH]1 ZINC001174288728 976451037 /nfs/dbraw/zinc/45/10/37/976451037.db2.gz BERRYCSTIFVJCI-UHFFFAOYSA-N 0 1 240.625 2.113 20 0 BEADMN C[N@H+]1CC[C@H](Oc2cnc3c(c2)CCCC3)C1 ZINC001228778899 976491053 /nfs/dbraw/zinc/49/10/53/976491053.db2.gz PYAJSQPYHYYSDK-LBPRGKRZSA-N 0 1 232.327 2.043 20 0 BEADMN COc1ccc(F)c(O[C@@H]2CCCN(C)C2)c1 ZINC001228787413 976495470 /nfs/dbraw/zinc/49/54/70/976495470.db2.gz HWBLHDUTLBIPGA-LLVKDONJSA-N 0 1 239.290 2.307 20 0 BEADMN Nc1ccc2ncn(-c3ccc4nccn4c3)c2c1 ZINC001174278839 976513238 /nfs/dbraw/zinc/51/32/38/976513238.db2.gz KQZLFBNDFVQTSM-UHFFFAOYSA-N 0 1 249.277 2.255 20 0 BEADMN CCN1CC[C@@H](Oc2cccc3c2C(=O)CC3)C1 ZINC001228837475 976513649 /nfs/dbraw/zinc/51/36/49/976513649.db2.gz LHIMTGJWRZRHRF-GFCCVEGCSA-N 0 1 245.322 2.289 20 0 BEADMN Nc1nc2ccccc2n1-c1cccc2n[nH]cc21 ZINC001174343215 976572812 /nfs/dbraw/zinc/57/28/12/976572812.db2.gz UPSWJSVYDFIHPE-UHFFFAOYSA-N 0 1 249.277 2.484 20 0 BEADMN CCCC[C@@H](C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228919383 976573695 /nfs/dbraw/zinc/57/36/95/976573695.db2.gz WLMRKOWZJHIKKO-MRVPVSSYSA-N 0 1 226.276 2.148 20 0 BEADMN COc1cc(=O)[nH]c(O[C@@H]2CCC[C@@H](C)C2)n1 ZINC001228918346 976578277 /nfs/dbraw/zinc/57/82/77/976578277.db2.gz OJZPJQHYKTXTCI-RKDXNWHRSA-N 0 1 238.287 2.148 20 0 BEADMN COc1cc(=O)[nH]c(O[C@H](C)C2CCCC2)n1 ZINC001228919477 976580093 /nfs/dbraw/zinc/58/00/93/976580093.db2.gz YMJPDPGPPPBXON-MRVPVSSYSA-N 0 1 238.287 2.148 20 0 BEADMN c1cc2cc(Nc3ccncc3)cnc2[nH]1 ZINC001174394878 976585328 /nfs/dbraw/zinc/58/53/28/976585328.db2.gz UXZDHCFMTRBUCH-UHFFFAOYSA-N 0 1 210.240 2.075 20 0 BEADMN COc1cccc(F)c1CN[C@H](C)[C@@H](C)OC ZINC001334694918 976589468 /nfs/dbraw/zinc/58/94/68/976589468.db2.gz UFCHDIHJZCWXJZ-NXEZZACHSA-N 0 1 241.306 2.347 20 0 BEADMN COC1CCC(Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228989379 976612476 /nfs/dbraw/zinc/61/24/76/976612476.db2.gz HPVFAKKHVAKUOP-UHFFFAOYSA-N 0 1 247.298 2.294 20 0 BEADMN COC1=CC[C@@H](Oc2nnc3c[nH]ccc2-3)CC1 ZINC001228995562 976622174 /nfs/dbraw/zinc/62/21/74/976622174.db2.gz UKEFRXGMMUJSTG-SNVBAGLBSA-N 0 1 245.282 2.420 20 0 BEADMN Cc1cc(Nc2cncnc2)c2ccccc2n1 ZINC001174385626 976628351 /nfs/dbraw/zinc/62/83/51/976628351.db2.gz RKTMZAOQOCHGIT-UHFFFAOYSA-N 0 1 236.278 2.499 20 0 BEADMN C[C@@H](Oc1nnc2c[nH]ccc1-2)C1CC1 ZINC001228996258 976628542 /nfs/dbraw/zinc/62/85/42/976628542.db2.gz NNPQWTNAPMPOGF-SSDOTTSWSA-N 0 1 203.245 2.135 20 0 BEADMN COc1c2ccccc2oc1C[NH2+][C@H](C)C(=O)[O-] ZINC001334764879 976634513 /nfs/dbraw/zinc/63/45/13/976634513.db2.gz HGKNSCHOGFQZLY-MRVPVSSYSA-N 0 1 249.266 2.004 20 0 BEADMN Cn1cncc1Nc1cccc(C(C)(C)O)c1 ZINC001174405164 976688674 /nfs/dbraw/zinc/68/86/74/976688674.db2.gz ABRNDGNGCXLJGR-UHFFFAOYSA-N 0 1 231.299 2.391 20 0 BEADMN CC(C)CCn1cc(Nc2nccn2C)cn1 ZINC001174412909 976704338 /nfs/dbraw/zinc/70/43/38/976704338.db2.gz SRRFICGIBNWPHL-UHFFFAOYSA-N 0 1 233.319 2.406 20 0 BEADMN COc1nccc(Nc2ccc3cn[nH]c3c2)n1 ZINC001174499797 976764525 /nfs/dbraw/zinc/76/45/25/976764525.db2.gz XQGPIKQLUKSOLA-UHFFFAOYSA-N 0 1 241.254 2.105 20 0 BEADMN Nc1ccc(Nc2ccnc(CO)c2)c(F)c1 ZINC001174479466 976800152 /nfs/dbraw/zinc/80/01/52/976800152.db2.gz FSEGMAROBODUHG-UHFFFAOYSA-N 0 1 233.246 2.039 20 0 BEADMN Cc1noc([C@@H](C)NCCc2ccc(F)cc2)n1 ZINC001335000571 976820707 /nfs/dbraw/zinc/82/07/07/976820707.db2.gz JNOOEABFUXFLNQ-SECBINFHSA-N 0 1 249.289 2.410 20 0 BEADMN Cc1ncn(-c2ccc3ccn(C)c3c2)c1N ZINC001174515998 976837788 /nfs/dbraw/zinc/83/77/88/976837788.db2.gz XJKMSSTXTXZOMP-UHFFFAOYSA-N 0 1 226.283 2.255 20 0 BEADMN Nc1ccnc(CN2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001335133562 976860823 /nfs/dbraw/zinc/86/08/23/976860823.db2.gz LKKBTKMIEFBJIT-NWDGAFQWSA-N 0 1 246.358 2.071 20 0 BEADMN CC(C)=CNc1nc(Cl)nc2c1ncn2C ZINC001174557436 976866551 /nfs/dbraw/zinc/86/65/51/976866551.db2.gz LDNIXBMENHAOMS-UHFFFAOYSA-N 0 1 237.694 2.352 20 0 BEADMN Cc1nc2[nH]cnc2c(O[C@@H]2CCC[C@@H]2C)n1 ZINC001229440175 976872752 /nfs/dbraw/zinc/87/27/52/976872752.db2.gz JJZKKGBIDIOCJQ-IONNQARKSA-N 0 1 232.287 2.229 20 0 BEADMN O=C([O-])Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000699218908 976912279 /nfs/dbraw/zinc/91/22/79/976912279.db2.gz WLYLJDIXNJGXLC-TZMCWYRMSA-N 0 1 245.322 2.156 20 0 BEADMN COc1c(F)ccc(F)c1Nc1cncn1C ZINC001174660969 976952888 /nfs/dbraw/zinc/95/28/88/976952888.db2.gz FBHIPFBSNSLNCL-UHFFFAOYSA-N 0 1 239.225 2.451 20 0 BEADMN C=CNc1ccc(N2CCN(C)CC2)c(OC)c1 ZINC001174791411 977036614 /nfs/dbraw/zinc/03/66/14/977036614.db2.gz DQQTUUGZJSYWCQ-UHFFFAOYSA-N 0 1 247.342 2.002 20 0 BEADMN O=c1[nH]cnc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1Cl ZINC001230016356 977066771 /nfs/dbraw/zinc/06/67/71/977066771.db2.gz HFDNSZIWHZYHGW-GJMOJQLCSA-N 0 1 240.690 2.403 20 0 BEADMN O=c1[nH]cnc(O[C@H]2CCCC[C@@H]2F)c1Cl ZINC001230018188 977072278 /nfs/dbraw/zinc/07/22/78/977072278.db2.gz PDAPFCVSVVCNBQ-BQBZGAKWSA-N 0 1 246.669 2.495 20 0 BEADMN CCc1csc([C@@H](C)NCC2(O)CCC2)n1 ZINC001335514746 977109604 /nfs/dbraw/zinc/10/96/04/977109604.db2.gz RDSFQJJEUAYMSI-SECBINFHSA-N 0 1 240.372 2.271 20 0 BEADMN FC(F)(F)[C@@H]1CC[C@H](CN2CC=CCC2)O1 ZINC001335629599 977173197 /nfs/dbraw/zinc/17/31/97/977173197.db2.gz XVCCEFRYFFQGAN-ZJUUUORDSA-N 0 1 235.249 2.358 20 0 BEADMN Cc1ccc(Nc2ccnc(CO)c2)cc1N ZINC001174933427 977174160 /nfs/dbraw/zinc/17/41/60/977174160.db2.gz PTFVXOMSBMXBEF-UHFFFAOYSA-N 0 1 229.283 2.208 20 0 BEADMN CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1 ZINC001230549103 977245545 /nfs/dbraw/zinc/24/55/45/977245545.db2.gz ZHNBFEHZQAVYQJ-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN CCOc1cc(F)c(-n2cncc2N)cc1F ZINC001175055304 977250321 /nfs/dbraw/zinc/25/03/21/977250321.db2.gz LKPFLNNCQKBAEB-UHFFFAOYSA-N 0 1 239.225 2.131 20 0 BEADMN Cn1cncc1Nc1c(F)cc(O)cc1F ZINC001175095845 977270090 /nfs/dbraw/zinc/27/00/90/977270090.db2.gz PIAHOCOQCOCQPP-UHFFFAOYSA-N 0 1 225.198 2.148 20 0 BEADMN CCCN(C)C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001335759286 977271645 /nfs/dbraw/zinc/27/16/45/977271645.db2.gz KNCGNLXKMDKTTL-UHFFFAOYSA-N 0 1 249.236 2.219 20 0 BEADMN CSc1cccc(-n2cnc(C)c2N)c1 ZINC001175288585 977351880 /nfs/dbraw/zinc/35/18/80/977351880.db2.gz OKLGNKOHHQXVLQ-UHFFFAOYSA-N 0 1 219.313 2.485 20 0 BEADMN CC(=O)[C@@H](C)Oc1[nH]c(=O)nc2cc(C)ccc21 ZINC001230890220 977358795 /nfs/dbraw/zinc/35/87/95/977358795.db2.gz ZIHCDGOHYPGJEA-SECBINFHSA-N 0 1 246.266 2.000 20 0 BEADMN COc1nonc1Nc1ccc(C)cc1F ZINC001175320203 977368570 /nfs/dbraw/zinc/36/85/70/977368570.db2.gz AJOZFCFAAAMVPQ-UHFFFAOYSA-N 0 1 223.207 2.269 20 0 BEADMN Cc1nonc1Nc1cnc2cccnc2c1 ZINC001175353633 977390157 /nfs/dbraw/zinc/39/01/57/977390157.db2.gz IFAHAMYQPJZBKP-UHFFFAOYSA-N 0 1 227.227 2.065 20 0 BEADMN Cn1cncc1Nc1ccc2c(cnn2C)c1 ZINC001175420563 977424365 /nfs/dbraw/zinc/42/43/65/977424365.db2.gz CBGYWIRCNCZVFD-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN CCc1csc([C@H](C)NC[C@H](O)C2CC2)n1 ZINC001336038518 977448914 /nfs/dbraw/zinc/44/89/14/977448914.db2.gz ZFDFQCDZSMWPRE-KWQFWETISA-N 0 1 240.372 2.127 20 0 BEADMN Cn1cc2cccc(Nc3cncn3C)c2n1 ZINC001175455851 977468603 /nfs/dbraw/zinc/46/86/03/977468603.db2.gz AECRWUWAUAHYNA-UHFFFAOYSA-N 0 1 227.271 2.050 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1c[nH]ccc1=O ZINC001175525303 977504550 /nfs/dbraw/zinc/50/45/50/977504550.db2.gz AHMWUOHQEAAGOU-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN Cc1ccc2[nH]ncc2c1Nc1ccncn1 ZINC001175525086 977508445 /nfs/dbraw/zinc/50/84/45/977508445.db2.gz JUJJWKIFFTUQDI-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179555 977525178 /nfs/dbraw/zinc/52/51/78/977525178.db2.gz UBBGJLXZMBSNBL-STQMWFEESA-N 0 1 240.391 2.221 20 0 BEADMN O=C(Cc1cnc[nH]1)Nc1cscc1Cl ZINC001594187425 977544906 /nfs/dbraw/zinc/54/49/06/977544906.db2.gz UZVQHPSYJSXHHS-UHFFFAOYSA-N 0 1 241.703 2.306 20 0 BEADMN Cc1nc(N=CCC(C)(C)C)cc(=O)[nH]1 ZINC001175569508 977556219 /nfs/dbraw/zinc/55/62/19/977556219.db2.gz UKRVILXPKZFISV-AATRIKPKSA-N 0 1 207.277 2.462 20 0 BEADMN COc1nccc(N=CCC(C)(C)C)n1 ZINC001175569257 977558964 /nfs/dbraw/zinc/55/89/64/977558964.db2.gz NHFKAJNVIMBJBX-SOFGYWHQSA-N 0 1 207.277 2.457 20 0 BEADMN CN1CCC=C(Nc2cncc(Cl)c2)C1 ZINC001175575278 977574058 /nfs/dbraw/zinc/57/40/58/977574058.db2.gz QRIZSBSENFQWQC-UHFFFAOYSA-N 0 1 223.707 2.366 20 0 BEADMN COC(=O)c1ccc(NC2=CCCN(C)C2)cc1 ZINC001175576266 977575909 /nfs/dbraw/zinc/57/59/09/977575909.db2.gz IYBULEUWZHHFPY-UHFFFAOYSA-N 0 1 246.310 2.105 20 0 BEADMN CN1CCC=C(Nc2ccc(F)cc2O)C1 ZINC001175576250 977579611 /nfs/dbraw/zinc/57/96/11/977579611.db2.gz HVAPVDBTEBMPGB-UHFFFAOYSA-N 0 1 222.263 2.163 20 0 BEADMN COc1cc(NC2=CCCN(C)C2)c(C)cn1 ZINC001175577319 977585460 /nfs/dbraw/zinc/58/54/60/977585460.db2.gz QJPYVQNNOFFZDE-UHFFFAOYSA-N 0 1 233.315 2.030 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2CF)s1 ZINC001231466258 977597475 /nfs/dbraw/zinc/59/74/75/977597475.db2.gz PMBQOAMYZHIOQR-MRVPVSSYSA-N 0 1 243.303 2.380 20 0 BEADMN Cc1c(F)ccc(CN2CC[C@@](C)(O)C2)c1F ZINC001231475032 977599347 /nfs/dbraw/zinc/59/93/47/977599347.db2.gz FHCMOOKOONEAJS-CYBMUJFWSA-N 0 1 241.281 2.230 20 0 BEADMN CC1(C)CN(Cc2c[nH]c3cccnc23)CCO1 ZINC001231485095 977601310 /nfs/dbraw/zinc/60/13/10/977601310.db2.gz CCMSBZOADIDRGE-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN C[C@H]1CC[N@H+]1Cc1c[nH]c2cccnc12 ZINC001231485787 977607261 /nfs/dbraw/zinc/60/72/61/977607261.db2.gz JSCISRAUKJCXDR-VIFPVBQESA-N 0 1 201.273 2.157 20 0 BEADMN Cc1cc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC001594302071 977609523 /nfs/dbraw/zinc/60/95/23/977609523.db2.gz GBJNJUKBUMEPMZ-VIFPVBQESA-N 0 1 237.299 2.334 20 0 BEADMN Cc1cc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC001594302071 977609526 /nfs/dbraw/zinc/60/95/26/977609526.db2.gz GBJNJUKBUMEPMZ-VIFPVBQESA-N 0 1 237.299 2.334 20 0 BEADMN CSc1ccc(Nc2ccncc2)cn1 ZINC001175651316 977614508 /nfs/dbraw/zinc/61/45/08/977614508.db2.gz OPZFJXZRBBORIJ-UHFFFAOYSA-N 0 1 217.297 2.364 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2cnccc12 ZINC001231513833 977619439 /nfs/dbraw/zinc/61/94/39/977619439.db2.gz BPGFSWRGQATFQK-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN Cc1nnc(Nc2ccc3n[nH]c(C)c3c2)o1 ZINC001175692955 977623930 /nfs/dbraw/zinc/62/39/30/977623930.db2.gz SFGDWHCTRGEWHE-UHFFFAOYSA-N 0 1 229.243 2.306 20 0 BEADMN FC[C@H]1CCCN1Cc1c[nH]c2cnccc12 ZINC001231519354 977624001 /nfs/dbraw/zinc/62/40/01/977624001.db2.gz AIHQAADUKARROR-LLVKDONJSA-N 0 1 233.290 2.497 20 0 BEADMN Cc1[nH]nc2ccc(Nc3c[nH]ccc3=O)cc12 ZINC001175698912 977628781 /nfs/dbraw/zinc/62/87/81/977628781.db2.gz KLGQKVCNBPNXCG-UHFFFAOYSA-N 0 1 240.266 2.303 20 0 BEADMN Cc1[nH]nc2cc(Nc3cnccn3)ccc21 ZINC001175659251 977635950 /nfs/dbraw/zinc/63/59/50/977635950.db2.gz ILARYMCHFZMFOI-UHFFFAOYSA-N 0 1 225.255 2.405 20 0 BEADMN CCCc1ccc(-n2cncc2N)cc1 ZINC001175715448 977659616 /nfs/dbraw/zinc/65/96/16/977659616.db2.gz ASOMIQJBLMQJIW-UHFFFAOYSA-N 0 1 201.273 2.407 20 0 BEADMN COCn1cc(N=C2CCCCC2)cn1 ZINC001175752679 977681374 /nfs/dbraw/zinc/68/13/74/977681374.db2.gz XWXRIFFZGRTDFL-UHFFFAOYSA-N 0 1 207.277 2.357 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001231669778 977686637 /nfs/dbraw/zinc/68/66/37/977686637.db2.gz PTDIJNJBHCGICU-ONGXEEELSA-N 0 1 238.306 2.276 20 0 BEADMN COCc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)o1 ZINC001231692189 977696522 /nfs/dbraw/zinc/69/65/22/977696522.db2.gz ZSAFVAIQCFXCBZ-OUJBWJOFSA-N 0 1 239.290 2.358 20 0 BEADMN NC(=O)c1ccncc1NC1=CCCCC1 ZINC001175753220 977699929 /nfs/dbraw/zinc/69/99/29/977699929.db2.gz TZFAZXYCIXQILZ-UHFFFAOYSA-N 0 1 217.272 2.050 20 0 BEADMN C[C@H]1CCCC[C@@H]1CNc1nccnc1CN ZINC001336476206 977702376 /nfs/dbraw/zinc/70/23/76/977702376.db2.gz FHNBCKPTJQBWJR-WDEREUQCSA-N 0 1 234.347 2.174 20 0 BEADMN COc1ncc(F)cc1CN(C)C(C)(C)C ZINC001231743059 977727777 /nfs/dbraw/zinc/72/77/77/977727777.db2.gz JTYZBFZLCCRLGP-UHFFFAOYSA-N 0 1 226.295 2.460 20 0 BEADMN CC(C)Oc1ncccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001231757368 977732383 /nfs/dbraw/zinc/73/23/83/977732383.db2.gz RDMLMOSSYBDNHO-BETUJISGSA-N 0 1 232.327 2.321 20 0 BEADMN CC(C)Oc1ncccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001231757368 977732389 /nfs/dbraw/zinc/73/23/89/977732389.db2.gz RDMLMOSSYBDNHO-BETUJISGSA-N 0 1 232.327 2.321 20 0 BEADMN CCOCCCN1CCCC[C@@H]1c1ncccn1 ZINC001175846064 977760318 /nfs/dbraw/zinc/76/03/18/977760318.db2.gz TTYNNCLNUPPDBH-CYBMUJFWSA-N 0 1 249.358 2.430 20 0 BEADMN CC[C@H](CC(F)(F)F)Nc1ccnc(N)n1 ZINC001336577063 977791339 /nfs/dbraw/zinc/79/13/39/977791339.db2.gz LJRKRUALRLRKPQ-ZCFIWIBFSA-N 0 1 234.225 2.202 20 0 BEADMN C[C@@H]1C[C@H](F)CN1Cc1ccc2c[nH]nc2c1 ZINC001231905567 977794841 /nfs/dbraw/zinc/79/48/41/977794841.db2.gz OTQGTIGTXQRXDK-SKDRFNHKSA-N 0 1 233.290 2.495 20 0 BEADMN CCCCN1CC(N(C)C(=O)C[C@H](C)CC)C1 ZINC001277586889 977800390 /nfs/dbraw/zinc/80/03/90/977800390.db2.gz UYCBVTCXARLSJV-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CSCCN(C)Cc1cnc(F)c(C)c1 ZINC001231929226 977804345 /nfs/dbraw/zinc/80/43/45/977804345.db2.gz BMYBYWSENIXDIQ-UHFFFAOYSA-N 0 1 228.336 2.324 20 0 BEADMN COc1ccnc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001231969670 977815544 /nfs/dbraw/zinc/81/55/44/977815544.db2.gz PYUNHDMVDQIOTD-MFKMUULPSA-N 0 1 218.300 2.075 20 0 BEADMN COc1ccnc(CN2CCC[C@H]3C[C@H]32)c1 ZINC001231969669 977817129 /nfs/dbraw/zinc/81/71/29/977817129.db2.gz PYUNHDMVDQIOTD-GXFFZTMASA-N 0 1 218.300 2.075 20 0 BEADMN C=CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC001336676314 977846812 /nfs/dbraw/zinc/84/68/12/977846812.db2.gz MVEIPPLHZBRYLB-GFCCVEGCSA-N 0 1 248.326 2.027 20 0 BEADMN Cc1ncc(Nc2ccc3nn[nH]c3c2)nc1C ZINC001175998972 977853820 /nfs/dbraw/zinc/85/38/20/977853820.db2.gz PEINSISYTKERRO-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1ncc(Nc2ccc3n[nH]nc3c2)nc1C ZINC001175998972 977853824 /nfs/dbraw/zinc/85/38/24/977853824.db2.gz PEINSISYTKERRO-UHFFFAOYSA-N 0 1 240.270 2.108 20 0 BEADMN Cc1ncc(Nc2ccc3nn[nH]c3c2)s1 ZINC001175998271 977855843 /nfs/dbraw/zinc/85/58/43/977855843.db2.gz HKUNTLAOQISFNU-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN Cc1ncc(Nc2ccc3n[nH]nc3c2)s1 ZINC001175998271 977855851 /nfs/dbraw/zinc/85/58/51/977855851.db2.gz HKUNTLAOQISFNU-UHFFFAOYSA-N 0 1 231.284 2.466 20 0 BEADMN CC(=O)N1CCC(=Nc2c(C)ccnc2F)CC1 ZINC001176030649 977863439 /nfs/dbraw/zinc/86/34/39/977863439.db2.gz YBRNLVAITHEJFG-UHFFFAOYSA-N 0 1 249.289 2.077 20 0 BEADMN C[N@@H+](CCc1ccccc1)Cc1cncc(O)c1 ZINC001232039934 977865289 /nfs/dbraw/zinc/86/52/89/977865289.db2.gz NVNCAYLEMZEBDA-UHFFFAOYSA-N 0 1 242.322 2.462 20 0 BEADMN Oc1cncc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC001232039883 977868547 /nfs/dbraw/zinc/86/85/47/977868547.db2.gz ZDMGKAJQOFQEKJ-BETUJISGSA-N 0 1 232.327 2.409 20 0 BEADMN CC[C@H]1CCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001232044143 977869285 /nfs/dbraw/zinc/86/92/85/977869285.db2.gz HROKVLOETVJQJQ-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN FC(F)(F)Oc1ncccc1Nc1ncc[nH]1 ZINC001176082361 977881326 /nfs/dbraw/zinc/88/13/26/977881326.db2.gz HHANEORWQLLCQC-UHFFFAOYSA-N 0 1 244.176 2.447 20 0 BEADMN c1c[nH]c(Nc2cccc3ocnc32)n1 ZINC001176084527 977884443 /nfs/dbraw/zinc/88/44/43/977884443.db2.gz PIKIJWZCIWWLHU-UHFFFAOYSA-N 0 1 200.201 2.295 20 0 BEADMN Cc1ccc(CN2CC3(C2)CCOCC3)c(C)n1 ZINC001232083350 977886437 /nfs/dbraw/zinc/88/64/37/977886437.db2.gz FQQYOEPZDJFBMC-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN CO[C@@H]1CCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232088170 977887734 /nfs/dbraw/zinc/88/77/34/977887734.db2.gz DEAKMDHSTYDGKO-CYBMUJFWSA-N 0 1 245.326 2.174 20 0 BEADMN Nc1cccc2c1N(c1ncc[nH]1)CCC2 ZINC001176085754 977889497 /nfs/dbraw/zinc/88/94/97/977889497.db2.gz XJSJZEYQLNTBET-UHFFFAOYSA-N 0 1 214.272 2.076 20 0 BEADMN COCCCN(c1ncc[nH]1)c1ccccc1N ZINC001176090536 977894093 /nfs/dbraw/zinc/89/40/93/977894093.db2.gz JSPPDQFRNILNQY-UHFFFAOYSA-N 0 1 246.314 2.167 20 0 BEADMN COc1cccc2[nH]c(-n3cnc(C)c3N)cc21 ZINC001176061355 977907725 /nfs/dbraw/zinc/90/77/25/977907725.db2.gz ITWUDSHXMBANOM-UHFFFAOYSA-N 0 1 242.282 2.253 20 0 BEADMN C[C@]1(CF)CCN(Cc2ccns2)C1 ZINC001232188751 977909808 /nfs/dbraw/zinc/90/98/08/977909808.db2.gz LHGQDOIKAJAYJF-SNVBAGLBSA-N 0 1 214.309 2.325 20 0 BEADMN F[C@H]1CCCN(Cc2ccns2)CC1 ZINC001232188645 977910290 /nfs/dbraw/zinc/91/02/90/977910290.db2.gz HVYQIWIZENZVQS-VIFPVBQESA-N 0 1 214.309 2.467 20 0 BEADMN Clc1nncc(N=C2CCOCC2)c1Cl ZINC001176141696 977920406 /nfs/dbraw/zinc/92/04/06/977920406.db2.gz FTDHNCBFGCQYGN-UHFFFAOYSA-N 0 1 246.097 2.500 20 0 BEADMN c1nc(N=C2CCOCC2)cn1C1CCC1 ZINC001176144175 977929732 /nfs/dbraw/zinc/92/97/32/977929732.db2.gz LEIMBKNDRSBHAS-UHFFFAOYSA-N 0 1 219.288 2.324 20 0 BEADMN O=C([O-])CC[N@H+]1CC=CC12CCCCC2 ZINC001595055312 977931578 /nfs/dbraw/zinc/93/15/78/977931578.db2.gz CGGHKKKRLXJWOR-UHFFFAOYSA-N 0 1 209.289 2.036 20 0 BEADMN FCC1CCN(Cc2cnsc2)CC1 ZINC001232226967 977955109 /nfs/dbraw/zinc/95/51/09/977955109.db2.gz HWMGTQFIVIKQMZ-UHFFFAOYSA-N 0 1 214.309 2.325 20 0 BEADMN Cc1noc(C)c1N(C)c1cc(N)ccn1 ZINC001176178540 977982161 /nfs/dbraw/zinc/98/21/61/977982161.db2.gz WZHNMBAIKMJARK-UHFFFAOYSA-N 0 1 218.260 2.037 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC001595227442 977998916 /nfs/dbraw/zinc/99/89/16/977998916.db2.gz JBVNPGORPAJQBA-ZDUSSCGKSA-N 0 1 231.295 2.369 20 0 BEADMN Cc1nc(N)ccc1CN1CCC(F)(F)CC1 ZINC001232338876 978011838 /nfs/dbraw/zinc/01/18/38/978011838.db2.gz ZAXVPKPJHBZSDL-UHFFFAOYSA-N 0 1 241.285 2.203 20 0 BEADMN CC(C)N(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001595307560 978028071 /nfs/dbraw/zinc/02/80/71/978028071.db2.gz CVYOMWJCCXCZRT-UHFFFAOYSA-N 0 1 235.262 2.182 20 0 BEADMN C[C@@H](NCc1cccn1C1CC1)c1cn[nH]c1 ZINC001336908677 978048670 /nfs/dbraw/zinc/04/86/70/978048670.db2.gz XTFRWZFVCDJONV-SNVBAGLBSA-N 0 1 230.315 2.397 20 0 BEADMN Cc1c(F)cc(CN2C[C@H](O)C[C@H]2C)cc1F ZINC001232420815 978051711 /nfs/dbraw/zinc/05/17/11/978051711.db2.gz ULLQUQSIVGQLNA-LDYMZIIASA-N 0 1 241.281 2.228 20 0 BEADMN FC1(F)CCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001232427824 978062861 /nfs/dbraw/zinc/06/28/61/978062861.db2.gz HFNAFBWQDVWHHJ-UHFFFAOYSA-N 0 1 241.285 2.130 20 0 BEADMN FC[C@H]1CCCN(Cc2[nH]nc3c2CCC3)C1 ZINC001232425546 978063192 /nfs/dbraw/zinc/06/31/92/978063192.db2.gz AYYUIHYYGJISRF-SNVBAGLBSA-N 0 1 237.322 2.080 20 0 BEADMN FCC1CCN(Cc2[nH]nc3c2CCC3)CC1 ZINC001232426001 978063399 /nfs/dbraw/zinc/06/33/99/978063399.db2.gz DKCUWZJRHZUVTG-UHFFFAOYSA-N 0 1 237.322 2.080 20 0 BEADMN C[C@@H]1CCN(Cc2n[nH]c3c2CCC3)C[C@H]1F ZINC001232425177 978068000 /nfs/dbraw/zinc/06/80/00/978068000.db2.gz UNLKBTXPVAOSMX-MWLCHTKSSA-N 0 1 237.322 2.078 20 0 BEADMN Cc1ncc(CN2CCc3cc(F)ccc3C2)[nH]1 ZINC001232464878 978105981 /nfs/dbraw/zinc/10/59/81/978105981.db2.gz NSPMZONFDXUURY-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN Cc1ncc(CN2CCc3nc(C)sc3C2)[nH]1 ZINC001232464244 978107300 /nfs/dbraw/zinc/10/73/00/978107300.db2.gz WMAUMVGVTCKGNV-UHFFFAOYSA-N 0 1 248.355 2.041 20 0 BEADMN CCc1csc(CN2CC[C@H](COC)C2)n1 ZINC001232472794 978119096 /nfs/dbraw/zinc/11/90/96/978119096.db2.gz QFZVTMPPHCYGHQ-JTQLQIEISA-N 0 1 240.372 2.174 20 0 BEADMN CCC[C@H](C)CCNC(=O)c1coc(CN)c1 ZINC001337007456 978123873 /nfs/dbraw/zinc/12/38/73/978123873.db2.gz NDMXPAOZBJSIKT-JTQLQIEISA-N 0 1 238.331 2.294 20 0 BEADMN CCc1csc(C[N@H+]2[C@@H](C)CC[C@H]2CO)n1 ZINC001232472973 978124153 /nfs/dbraw/zinc/12/41/53/978124153.db2.gz UKLIUZWPXAFIQD-ONGXEEELSA-N 0 1 240.372 2.051 20 0 BEADMN CCc1csc(CN2[C@@H](C)CC[C@H]2CO)n1 ZINC001232472973 978124154 /nfs/dbraw/zinc/12/41/54/978124154.db2.gz UKLIUZWPXAFIQD-ONGXEEELSA-N 0 1 240.372 2.051 20 0 BEADMN Cc1ncn(-c2ccccc2Cl)c1N ZINC001176552756 978127983 /nfs/dbraw/zinc/12/79/83/978127983.db2.gz MFXIUVKJZPHVJA-UHFFFAOYSA-N 0 1 207.664 2.416 20 0 BEADMN CCCC[N@@H+](C[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CC1 ZINC001595742541 978130852 /nfs/dbraw/zinc/13/08/52/978130852.db2.gz MBOPVHWWUWXKQS-UWVGGRQHSA-N 0 1 247.285 2.217 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001232482172 978133992 /nfs/dbraw/zinc/13/39/92/978133992.db2.gz OYMLHLKVFCAGIK-OLZOCXBDSA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@H](F)[C@@H](O)C1 ZINC001232482258 978134286 /nfs/dbraw/zinc/13/42/86/978134286.db2.gz OYMLHLKVFCAGIK-STQMWFEESA-N 0 1 241.281 2.039 20 0 BEADMN Cc1cccc(F)c1CN1CC[C@@]12CCOC2 ZINC001232488100 978137823 /nfs/dbraw/zinc/13/78/23/978137823.db2.gz ZNXPWLMMBZGDNV-AWEZNQCLSA-N 0 1 235.302 2.499 20 0 BEADMN Cc1cccc(F)c1C[N@H+]1CCC[C@@H]1CO ZINC001232491170 978144863 /nfs/dbraw/zinc/14/48/63/978144863.db2.gz VEARJHSYBVQAOB-LLVKDONJSA-N 0 1 223.291 2.091 20 0 BEADMN CO[C@H]1CCCN(Cc2cccc(CF)n2)C1 ZINC001232534424 978162671 /nfs/dbraw/zinc/16/26/71/978162671.db2.gz CZKHBZPZPWYTTC-ZDUSSCGKSA-N 0 1 238.306 2.162 20 0 BEADMN C[C@H]1COCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550022 978176480 /nfs/dbraw/zinc/17/64/80/978176480.db2.gz PSAQPSGGICPMON-LLVKDONJSA-N 0 1 246.310 2.296 20 0 BEADMN C[C@H]1COCCN(Cc2cc3ccoc3cn2)C1 ZINC001232550022 978176484 /nfs/dbraw/zinc/17/64/84/978176484.db2.gz PSAQPSGGICPMON-LLVKDONJSA-N 0 1 246.310 2.296 20 0 BEADMN CC[C@H]1CCC[C@@H]1NC(=O)CCc1cc(C)[nH]n1 ZINC001596159869 978176491 /nfs/dbraw/zinc/17/64/91/978176491.db2.gz BDXXNUSQLSCRBF-AAEUAGOBSA-N 0 1 249.358 2.346 20 0 BEADMN COC[C@H]1CC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232550311 978177063 /nfs/dbraw/zinc/17/70/63/978177063.db2.gz SVHOMZQQEKTIKK-NSHDSACASA-N 0 1 246.310 2.296 20 0 BEADMN CCC[N@@H+](C)Cc1cc(OCC)ccn1 ZINC001232579178 978187156 /nfs/dbraw/zinc/18/71/56/978187156.db2.gz KMYIUMYNNAXIGI-UHFFFAOYSA-N 0 1 208.305 2.322 20 0 BEADMN CCOc1ccnc(CN2CCC[C@@H]3C[C@@H]32)c1 ZINC001232586376 978190299 /nfs/dbraw/zinc/19/02/99/978190299.db2.gz DBWOGKVVGZTFFW-RISCZKNCSA-N 0 1 232.327 2.465 20 0 BEADMN CCOc1ccnc(CN(C)CCSC)c1 ZINC001232587439 978192945 /nfs/dbraw/zinc/19/29/45/978192945.db2.gz FUILIOZQGRXMMI-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN CNc1ccccc1CN1CCOCC1(C)C ZINC001232671946 978226638 /nfs/dbraw/zinc/22/66/38/978226638.db2.gz TZCHKPZMULFXOC-UHFFFAOYSA-N 0 1 234.343 2.339 20 0 BEADMN CCOC(=O)/C=C/CN[C@H](C)c1ncccc1C ZINC001176896192 978251321 /nfs/dbraw/zinc/25/13/21/978251321.db2.gz DZRVAEDXBPXXKW-WAFBPQNNSA-N 0 1 248.326 2.160 20 0 BEADMN Cc1c(CN(C)[C@@H]2CCOC2)ccnc1Cl ZINC001232753496 978252178 /nfs/dbraw/zinc/25/21/78/978252178.db2.gz LCYFSLMUKSQBIB-LLVKDONJSA-N 0 1 240.734 2.264 20 0 BEADMN OC1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232737135 978254179 /nfs/dbraw/zinc/25/41/79/978254179.db2.gz SITAJFWYLDFLIM-UHFFFAOYSA-N 0 1 248.351 2.253 20 0 BEADMN CO[C@H]1CC[C@@H]1N(C)Cc1cc(C)ns1 ZINC001176915370 978262295 /nfs/dbraw/zinc/26/22/95/978262295.db2.gz JOENZJBPQXGSNK-QWRGUYRKSA-N 0 1 226.345 2.061 20 0 BEADMN Cc1cc(C)nc(N2CCC[C@@H](CCO)C2)c1 ZINC000721893308 978263212 /nfs/dbraw/zinc/26/32/12/978263212.db2.gz NFAHKGWTDDZUFB-ZDUSSCGKSA-N 0 1 234.343 2.297 20 0 BEADMN C[C@@H]1CN(Cc2ccc(CCO)cc2)C[C@@H]1F ZINC001232775320 978267797 /nfs/dbraw/zinc/26/77/97/978267797.db2.gz XUQGNJIDWWQAHZ-RISCZKNCSA-N 0 1 237.318 2.011 20 0 BEADMN c1cc(CN2CCCC[C@@]23CCCOC3)on1 ZINC001177015705 978273188 /nfs/dbraw/zinc/27/31/88/978273188.db2.gz NBNDZCMRPQSWIQ-ZDUSSCGKSA-N 0 1 236.315 2.210 20 0 BEADMN OCCc1ccc(CN2CCC[C@H](F)C2)cc1 ZINC001232778533 978273567 /nfs/dbraw/zinc/27/35/67/978273567.db2.gz UDFNEIGILSGLKU-AWEZNQCLSA-N 0 1 237.318 2.155 20 0 BEADMN Cc1cc(CN2CCC[C@@H]2CO)c(F)cc1F ZINC001232783935 978274698 /nfs/dbraw/zinc/27/46/98/978274698.db2.gz FDLLCJKZMRBETG-LLVKDONJSA-N 0 1 241.281 2.230 20 0 BEADMN CCCn1cnc(CN(C)CC2CC2)c1 ZINC001232796012 978281718 /nfs/dbraw/zinc/28/17/18/978281718.db2.gz UDPXDNKUTXRRNJ-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1cc(F)cc(CN2CCC(O)CC2)c1 ZINC000148912545 978296127 /nfs/dbraw/zinc/29/61/27/978296127.db2.gz SFUJIFWYMGIMFX-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN CCc1ncc(CNC(=O)C(C)(C)C2CC2)[nH]1 ZINC001597256924 978301473 /nfs/dbraw/zinc/30/14/73/978301473.db2.gz AHMJGAYHPLMEJM-UHFFFAOYSA-N 0 1 235.331 2.025 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC001597258143 978306945 /nfs/dbraw/zinc/30/69/45/978306945.db2.gz WJPQQNOIQYNMIS-MVWJERBFSA-N 0 1 247.342 2.025 20 0 BEADMN CCc1ncc(CNC(=O)/C=C\C2CCCC2)[nH]1 ZINC001597256998 978307706 /nfs/dbraw/zinc/30/77/06/978307706.db2.gz FCWWXJZUHJDFML-FPLPWBNLSA-N 0 1 247.342 2.335 20 0 BEADMN CCc1ncc(CNC(=O)C2=CC[C@@H](C)CC2)[nH]1 ZINC001597258099 978308377 /nfs/dbraw/zinc/30/83/77/978308377.db2.gz UZCQKCBSSQJMFQ-SNVBAGLBSA-N 0 1 247.342 2.335 20 0 BEADMN c1nc2ccc(CN3CCSCC3)cc2o1 ZINC001232939009 978350664 /nfs/dbraw/zinc/35/06/64/978350664.db2.gz CXPIPUVGTJYFNI-UHFFFAOYSA-N 0 1 234.324 2.377 20 0 BEADMN Cc1cc(Nc2ccc(C(=O)[O-])cc2)c[nH+]c1N ZINC001249788367 978389086 /nfs/dbraw/zinc/38/90/86/978389086.db2.gz FKFQLIMZAPCPSU-UHFFFAOYSA-N 0 1 243.266 2.414 20 0 BEADMN Cc1ncc(F)cc1CN(C)[C@@H]1CCCOC1 ZINC001232994876 978393572 /nfs/dbraw/zinc/39/35/72/978393572.db2.gz WBBBRHRRQGVPSX-CYBMUJFWSA-N 0 1 238.306 2.140 20 0 BEADMN Cc1cc(C)c(CN2CC[C@@]23CCOC3)cn1 ZINC001233009431 978405518 /nfs/dbraw/zinc/40/55/18/978405518.db2.gz VIWJYULNALQTMZ-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN CN(C)c1ccc(CN2CCCCC2)c(F)n1 ZINC001233113260 978467643 /nfs/dbraw/zinc/46/76/43/978467643.db2.gz OYLFFBBPIKHQMU-UHFFFAOYSA-N 0 1 237.322 2.273 20 0 BEADMN C[C@H]1CCN1Cc1[nH]nc2cc(F)ccc21 ZINC001233118767 978468018 /nfs/dbraw/zinc/46/80/18/978468018.db2.gz BMEMANYOMDUSOB-QMMMGPOBSA-N 0 1 219.263 2.296 20 0 BEADMN CN(Cc1n[nH]c2cc(F)ccc21)CC(F)F ZINC001233124803 978472721 /nfs/dbraw/zinc/47/27/21/978472721.db2.gz RQJVCTLFRDCIMA-UHFFFAOYSA-N 0 1 243.232 2.399 20 0 BEADMN Cc1cc(CN2CC[C@@H]3CCO[C@H]3C2)cnc1C ZINC001233155698 978472827 /nfs/dbraw/zinc/47/28/27/978472827.db2.gz AOGIXLMXICSCII-CABCVRRESA-N 0 1 246.354 2.309 20 0 BEADMN Cc1cc(CN2CCOC[C@H](C)C2)cnc1C ZINC001233156181 978476207 /nfs/dbraw/zinc/47/62/07/978476207.db2.gz IJIZPJQJSJEKNB-LLVKDONJSA-N 0 1 234.343 2.167 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCOC3)cnc1C ZINC001233156940 978476363 /nfs/dbraw/zinc/47/63/63/978476363.db2.gz XIHCPCHFSYFPCR-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN Cc1cc(CN2CCCO[C@@H](C)C2)cnc1C ZINC001233157023 978476861 /nfs/dbraw/zinc/47/68/61/978476861.db2.gz YQWOUVDPIURUAO-LBPRGKRZSA-N 0 1 234.343 2.309 20 0 BEADMN Cc1ccc(CN2CCSCC2)cc1O ZINC001233229299 978499027 /nfs/dbraw/zinc/49/90/27/978499027.db2.gz KZSRVRMYHHKFPH-UHFFFAOYSA-N 0 1 223.341 2.249 20 0 BEADMN COCC[N@@H+](C)Cc1ccc([S-])cc1 ZINC001233258664 978514668 /nfs/dbraw/zinc/51/46/68/978514668.db2.gz OFYYXKMUKABXCA-UHFFFAOYSA-N 0 1 211.330 2.054 20 0 BEADMN [S-]c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001233260628 978515890 /nfs/dbraw/zinc/51/58/90/978515890.db2.gz LOGHXOKYCHUVQW-CYBMUJFWSA-N 0 1 248.395 2.255 20 0 BEADMN [S-]c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC001233259024 978516311 /nfs/dbraw/zinc/51/63/11/978516311.db2.gz CWOYGGIBXCMPSJ-PHIMTYICSA-N 0 1 205.326 2.427 20 0 BEADMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc([S-])cc1 ZINC001233261928 978520083 /nfs/dbraw/zinc/52/00/83/978520083.db2.gz JUKSPQRSDLMCCD-PWSUYJOCSA-N 0 1 237.368 2.321 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCO3)C[C@H](C)O1 ZINC001233273479 978521624 /nfs/dbraw/zinc/52/16/24/978521624.db2.gz DVVHADARFSOAIR-TXEJJXNPSA-N 0 1 247.338 2.231 20 0 BEADMN C[C@@H]1CN(Cc2cccc3c2CCO3)C[C@@H](C)O1 ZINC001233273480 978521958 /nfs/dbraw/zinc/52/19/58/978521958.db2.gz DVVHADARFSOAIR-VXGBXAGGSA-N 0 1 247.338 2.231 20 0 BEADMN F[C@H]1CCN(Cc2cccc3c2CCO3)C1 ZINC001233274173 978526596 /nfs/dbraw/zinc/52/65/96/978526596.db2.gz GTXNJVUXAVZJLE-NSHDSACASA-N 0 1 221.275 2.165 20 0 BEADMN CC[C@H](C)c1ccnc(N2CCN(C)CC2)c1 ZINC001249863645 978533097 /nfs/dbraw/zinc/53/30/97/978533097.db2.gz WUUBUJSUWRTQMS-LBPRGKRZSA-N 0 1 233.359 2.347 20 0 BEADMN O=c1ccc2c(CN3CC=CC3)ccc(O)c2[nH]1 ZINC001233292128 978536982 /nfs/dbraw/zinc/53/69/82/978536982.db2.gz ZFSPHMSBVTUWCX-UHFFFAOYSA-N 0 1 242.278 2.018 20 0 BEADMN CCOC(=O)CCN(C)Cc1ccc(Cl)o1 ZINC001233316605 978544155 /nfs/dbraw/zinc/54/41/55/978544155.db2.gz RBCWQBOVOJQBLJ-UHFFFAOYSA-N 0 1 245.706 2.318 20 0 BEADMN CCOC(=O)c1ccnc(CN2CCCCC2)c1 ZINC001233323482 978563260 /nfs/dbraw/zinc/56/32/60/978563260.db2.gz VYACKRUEUUAYEE-UHFFFAOYSA-N 0 1 248.326 2.244 20 0 BEADMN Cc1cnsc1CN(C)[C@@H]1CCCOC1 ZINC001233322666 978563767 /nfs/dbraw/zinc/56/37/67/978563767.db2.gz OWIWSFNDCPFWQI-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN CCOC(=O)c1ccnc(CN2CC[C@H](C)C2)c1 ZINC001233323819 978563784 /nfs/dbraw/zinc/56/37/84/978563784.db2.gz JPBLQUSULNMKDI-NSHDSACASA-N 0 1 248.326 2.100 20 0 BEADMN NCc1nccnc1N1CC=CC12CCCCC2 ZINC001337934681 978567759 /nfs/dbraw/zinc/56/77/59/978567759.db2.gz BDGGKJNDTKOULV-UHFFFAOYSA-N 0 1 244.342 2.014 20 0 BEADMN C[C@@H](c1nc([C@H]2CN3CCC2CC3)no1)C1CC1 ZINC001337928304 978569790 /nfs/dbraw/zinc/56/97/90/978569790.db2.gz HKTDXCCTSZJPID-SKDRFNHKSA-N 0 1 247.342 2.392 20 0 BEADMN c1cn2c(cccc2CN2CC3(CCC3)C2)n1 ZINC001233361528 978572496 /nfs/dbraw/zinc/57/24/96/978572496.db2.gz STRZVGXTTIGFOU-UHFFFAOYSA-N 0 1 227.311 2.320 20 0 BEADMN CCOCC1CCN(Cc2cnc(C)o2)CC1 ZINC001233367476 978581131 /nfs/dbraw/zinc/58/11/31/978581131.db2.gz LCIFCPGCSKBIEK-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN Nc1cccc(CN2CCC[C@H](C(F)F)C2)n1 ZINC001233371190 978584491 /nfs/dbraw/zinc/58/44/91/978584491.db2.gz DLKCVZNXSOLOFU-VIFPVBQESA-N 0 1 241.285 2.141 20 0 BEADMN CN(C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233429744 978597170 /nfs/dbraw/zinc/59/71/70/978597170.db2.gz LOEOPSRCMJCZRA-UHFFFAOYSA-N 0 1 224.304 2.333 20 0 BEADMN CCc1ncc(CNC(=O)C(C)=C2CCCC2)[nH]1 ZINC001178669849 978604109 /nfs/dbraw/zinc/60/41/09/978604109.db2.gz OPJVBYSPQGHTIR-UHFFFAOYSA-N 0 1 247.342 2.479 20 0 BEADMN CCc1ncc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC001178669312 978604218 /nfs/dbraw/zinc/60/42/18/978604218.db2.gz FPFCOSSBVNQSIO-JQWIXIFHSA-N 0 1 247.342 2.025 20 0 BEADMN CCn1ccc(CNC[C@H]2CCCC2(F)F)n1 ZINC001178747660 978625537 /nfs/dbraw/zinc/62/55/37/978625537.db2.gz ONUWYMPGMODJTD-SNVBAGLBSA-N 0 1 243.301 2.428 20 0 BEADMN O=c1cc(Cl)c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)n[nH]1 ZINC001233585155 978634285 /nfs/dbraw/zinc/63/42/85/978634285.db2.gz AIGAHFLKLVOUNH-LKEWCRSYSA-N 0 1 238.674 2.179 20 0 BEADMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)C1CC1 ZINC001233589911 978639251 /nfs/dbraw/zinc/63/92/51/978639251.db2.gz ZQTLRIWFMBFCQN-RXMQYKEDSA-N 0 1 214.652 2.013 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1C ZINC001599987032 978660015 /nfs/dbraw/zinc/66/00/15/978660015.db2.gz NRHFVWYWSITMIH-DTORHVGOSA-N 0 1 236.315 2.014 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@H+]2CC[C@H]2C2CC2)n1C ZINC001599986274 978660406 /nfs/dbraw/zinc/66/04/06/978660406.db2.gz ZNGDSJSUTIGMQT-ZDUSSCGKSA-N 0 1 248.326 2.016 20 0 BEADMN Cc1cc(C[NH+]2CC3(CCC3)C2)oc1C(=O)[O-] ZINC001600191777 978673612 /nfs/dbraw/zinc/67/36/12/978673612.db2.gz GOCAOUHZXLKEPY-UHFFFAOYSA-N 0 1 235.283 2.272 20 0 BEADMN Cc1ccc(NCc2cc(C(=O)[O-])co2)[nH+]c1 ZINC001600460669 978696004 /nfs/dbraw/zinc/69/60/04/978696004.db2.gz BXEZQDZNTDWEEM-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1cccc(N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)[nH+]1 ZINC001600542779 978701539 /nfs/dbraw/zinc/70/15/39/978701539.db2.gz NZLSRNLSRBXLOG-KKOKHZNYSA-N 0 1 246.310 2.301 20 0 BEADMN Cc1[nH]c(CNc2cccc(C)[nH+]2)cc1C(=O)[O-] ZINC001600542379 978701612 /nfs/dbraw/zinc/70/16/12/978701612.db2.gz LGVDWNYCMRCDLZ-UHFFFAOYSA-N 0 1 245.282 2.337 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001600602020 978705851 /nfs/dbraw/zinc/70/58/51/978705851.db2.gz OPYNREXZOXZASB-RISCZKNCSA-N 0 1 246.310 2.224 20 0 BEADMN Cc1cc[nH+]c(NCc2cc(C(=O)[O-])n(C)c2)c1 ZINC001600600724 978707733 /nfs/dbraw/zinc/70/77/33/978707733.db2.gz RKCCDXXDSKIHFO-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN CCOCCc1ccc2c(c1)n[nH]c2C ZINC001249939954 978728408 /nfs/dbraw/zinc/72/84/08/978728408.db2.gz NNESKHGIOKRZDF-UHFFFAOYSA-N 0 1 204.273 2.450 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@H+]1CC[C@H]1C1CC1 ZINC001600827406 978738620 /nfs/dbraw/zinc/73/86/20/978738620.db2.gz AZRZNGYLJHTSHI-NSHDSACASA-N 0 1 235.283 2.271 20 0 BEADMN CN1CCC[C@@H](Oc2cc(F)c(F)cc2O)C1 ZINC001233975389 978745866 /nfs/dbraw/zinc/74/58/66/978745866.db2.gz VSAIPHATQPMDTD-MRVPVSSYSA-N 0 1 243.253 2.143 20 0 BEADMN COC(=O)c1cccc2nc(OC3CCC3)[nH]c21 ZINC001234038996 978762557 /nfs/dbraw/zinc/76/25/57/978762557.db2.gz IKXNWXOWIJPZQV-UHFFFAOYSA-N 0 1 246.266 2.281 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1C=CCCC1 ZINC001339088503 978790834 /nfs/dbraw/zinc/79/08/34/978790834.db2.gz WCUFOXFGUVLSNN-NWDGAFQWSA-N 0 1 236.359 2.084 20 0 BEADMN CC[C@@H](C)C[C@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC001339133577 978801974 /nfs/dbraw/zinc/80/19/74/978801974.db2.gz HHFLMOKPTCRTAE-SCZZXKLOSA-N 0 1 242.344 2.122 20 0 BEADMN CCN(CC(=O)OC)C1CCC(C)CC1 ZINC000070266432 978818197 /nfs/dbraw/zinc/81/81/97/978818197.db2.gz DRRORDPUKPYYKJ-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001601717287 978834397 /nfs/dbraw/zinc/83/43/97/978834397.db2.gz WBCTUXTVDKMDLR-CYBMUJFWSA-N 0 1 241.306 2.065 20 0 BEADMN CC[C@H]1C[C@H](C)CN1Cc1nc(CO)cs1 ZINC001180203175 978838410 /nfs/dbraw/zinc/83/84/10/978838410.db2.gz LHSLGQPGIJQJBR-ONGXEEELSA-N 0 1 240.372 2.256 20 0 BEADMN O=C([O-])C12CC(C1)C[N@H+]2Cc1ccccc1CF ZINC001601728804 978839813 /nfs/dbraw/zinc/83/98/13/978839813.db2.gz SNGGWHCBAFDNCI-UHFFFAOYSA-N 0 1 249.285 2.205 20 0 BEADMN CCn1ccc(CN2CC[C@H](C)[C@@H](C)C2)n1 ZINC001180199522 978844114 /nfs/dbraw/zinc/84/41/14/978844114.db2.gz UREKERMIDBNORY-RYUDHWBXSA-N 0 1 221.348 2.381 20 0 BEADMN O=C([O-])[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](F)C1 ZINC001601810255 978853034 /nfs/dbraw/zinc/85/30/34/978853034.db2.gz AJUDUPZPANUVTI-GRYCIOLGSA-N 0 1 243.322 2.311 20 0 BEADMN CC(C)CCc1ccc(N2CCN(C)CC2)nc1 ZINC001249964499 978863705 /nfs/dbraw/zinc/86/37/05/978863705.db2.gz JMPOYPUCBNAPMT-UHFFFAOYSA-N 0 1 247.386 2.422 20 0 BEADMN C[C@H](Cc1cccs1)Nc1nccnc1CN ZINC001339531486 978865463 /nfs/dbraw/zinc/86/54/63/978865463.db2.gz CQZONTVMJYOCDV-SECBINFHSA-N 0 1 248.355 2.040 20 0 BEADMN CCOC(=O)CCc1cc(O)c(F)c(F)c1F ZINC001249963933 978865683 /nfs/dbraw/zinc/86/56/83/978865683.db2.gz JZWQABILLVTDQX-UHFFFAOYSA-N 0 1 248.200 2.305 20 0 BEADMN O=C([O-])CC1(C[N@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC001601915248 978866762 /nfs/dbraw/zinc/86/67/62/978866762.db2.gz IKKIWRMRHTVPGW-GFCCVEGCSA-N 0 1 237.343 2.363 20 0 BEADMN CCCn1cncc1CN(C)[C@@H]1CCSC1 ZINC001180394919 978872590 /nfs/dbraw/zinc/87/25/90/978872590.db2.gz ZOTNVDDMUNUYLR-LLVKDONJSA-N 0 1 239.388 2.230 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc2oncc2c1 ZINC001180389824 978872770 /nfs/dbraw/zinc/87/27/70/978872770.db2.gz RGJDEXKEEACKBD-UHFFFAOYSA-N 0 1 247.298 2.108 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC001602053464 978887297 /nfs/dbraw/zinc/88/72/97/978887297.db2.gz WVTTWHSQEQQNSD-OCCSQVGLSA-N 0 1 245.322 2.339 20 0 BEADMN CC(C)C[C@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234687035 978897222 /nfs/dbraw/zinc/89/72/22/978897222.db2.gz LWEQUANLFWXXRF-ZETCQYMHSA-N 0 1 238.266 2.305 20 0 BEADMN C[C@H](Oc1nc(F)nc2nc[nH]c21)C1CCC1 ZINC001234687650 978897422 /nfs/dbraw/zinc/89/74/22/978897422.db2.gz RUGJVNXUVFSBKA-LURJTMIESA-N 0 1 236.250 2.059 20 0 BEADMN CC[C@@H](C)[C@H](C)Oc1nc(F)nc2nc[nH]c21 ZINC001234690301 978898466 /nfs/dbraw/zinc/89/84/66/978898466.db2.gz NMSHZRAMEYJLTQ-RQJHMYQMSA-N 0 1 238.266 2.305 20 0 BEADMN CC[C@H](Oc1nc(F)nc2nc[nH]c21)C(C)C ZINC001234694327 978899552 /nfs/dbraw/zinc/89/95/52/978899552.db2.gz ZQZULQZEVGUXBH-ZETCQYMHSA-N 0 1 238.266 2.305 20 0 BEADMN COc1cnc(F)c(CN[C@@H]2C=CCCC2)c1 ZINC001339766237 978906759 /nfs/dbraw/zinc/90/67/59/978906759.db2.gz PFOWUGJOAYWWNO-LLVKDONJSA-N 0 1 236.290 2.428 20 0 BEADMN C[N@@H+]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848815 978915707 /nfs/dbraw/zinc/91/57/07/978915707.db2.gz VKLJWHHYLKSMSL-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234848815 978915712 /nfs/dbraw/zinc/91/57/12/978915712.db2.gz VKLJWHHYLKSMSL-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@@H+]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848815 978915719 /nfs/dbraw/zinc/91/57/19/978915719.db2.gz VKLJWHHYLKSMSL-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN C[N@H+]1CCC[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234848815 978915725 /nfs/dbraw/zinc/91/57/25/978915725.db2.gz VKLJWHHYLKSMSL-QMMMGPOBSA-N 0 1 237.328 2.097 20 0 BEADMN COc1c(C)ccc(F)c1O[C@H]1CCN(C)C1 ZINC001234939264 978934518 /nfs/dbraw/zinc/93/45/18/978934518.db2.gz OBEPPVPKUJGURT-JTQLQIEISA-N 0 1 239.290 2.226 20 0 BEADMN O=C(C[C@@H]1CC=CCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001340149537 978979677 /nfs/dbraw/zinc/97/96/77/978979677.db2.gz XKCLONVCGFBPPU-MCIONIFRSA-N 0 1 248.370 2.086 20 0 BEADMN Cc1cnc(F)c(CN(C)CC2CC2)c1 ZINC001235330727 979024923 /nfs/dbraw/zinc/02/49/23/979024923.db2.gz AEANAKXUTUWXAR-UHFFFAOYSA-N 0 1 208.280 2.371 20 0 BEADMN Cc1cnc(F)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001235329681 979025988 /nfs/dbraw/zinc/02/59/88/979025988.db2.gz UJRVTCLDSOJJCI-DLOVCJGASA-N 0 1 238.281 2.319 20 0 BEADMN Cc1ncn(C)c1CN1CCC(F)(F)[C@H](C)C1 ZINC001235539542 979076675 /nfs/dbraw/zinc/07/66/75/979076675.db2.gz VMANPIMEZSGQEH-SECBINFHSA-N 0 1 243.301 2.206 20 0 BEADMN O=C([O-])c1cc(C[N@H+]2CCC23CCCC3)c[nH]1 ZINC001602256195 979096708 /nfs/dbraw/zinc/09/67/08/979096708.db2.gz WRYZSYITWMEEKK-UHFFFAOYSA-N 0 1 234.299 2.231 20 0 BEADMN Cc1ccnc(CN2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001235578889 979102617 /nfs/dbraw/zinc/10/26/17/979102617.db2.gz MNMUOYPYRUDSJA-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN COCCOCc1cc(Cl)c(O)cc1F ZINC001250005837 979103864 /nfs/dbraw/zinc/10/38/64/979103864.db2.gz WOTDDABYOLGOSC-UHFFFAOYSA-N 0 1 234.654 2.348 20 0 BEADMN O[C@]1(C2CC2)CCN(CC=C(Cl)Cl)C1 ZINC001340866228 979134475 /nfs/dbraw/zinc/13/44/75/979134475.db2.gz ONOSJWKMHBSRHP-SNVBAGLBSA-N 0 1 236.142 2.152 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001235817436 979158707 /nfs/dbraw/zinc/15/87/07/979158707.db2.gz JBMKEPDHACCNCW-CNDDSTCGSA-N 0 1 238.281 2.176 20 0 BEADMN Oc1c(F)cc(F)c(-c2ncncc2F)c1F ZINC001235983776 979238713 /nfs/dbraw/zinc/23/87/13/979238713.db2.gz BDPSIAUGZGAHGX-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN CC[C@@]1(O)CCN([C@H](C)c2ccc(F)nc2)C1 ZINC001341176300 979264707 /nfs/dbraw/zinc/26/47/07/979264707.db2.gz WJRDMVBIIWDEQH-ZWNOBZJWSA-N 0 1 238.306 2.129 20 0 BEADMN CC[C@@]1(O)CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC001341176295 979266846 /nfs/dbraw/zinc/26/68/46/979266846.db2.gz WJRDMVBIIWDEQH-GXFFZTMASA-N 0 1 238.306 2.129 20 0 BEADMN Oc1c(F)cc(F)c(-c2cnc(F)cn2)c1F ZINC001235997724 979292282 /nfs/dbraw/zinc/29/22/82/979292282.db2.gz RZSXWFHRZGKLCT-UHFFFAOYSA-N 0 1 244.147 2.406 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+](C)C(C1CC1)C1CC1 ZINC001602954895 979333212 /nfs/dbraw/zinc/33/32/12/979333212.db2.gz HYYDIDSGUQSEJE-CLFYSBASSA-N 0 1 223.316 2.138 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001602958733 979337665 /nfs/dbraw/zinc/33/76/65/979337665.db2.gz XIMKUWOZMXVOPK-STRFDMGBSA-N 0 1 246.310 2.249 20 0 BEADMN Fc1nccc(Cl)c1CNC[C@H]1CCCO1 ZINC001181869369 979340577 /nfs/dbraw/zinc/34/05/77/979340577.db2.gz AYUPINVPJRPEKU-MRVPVSSYSA-N 0 1 244.697 2.143 20 0 BEADMN CCC1(CC)C[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC001181883129 979352320 /nfs/dbraw/zinc/35/23/20/979352320.db2.gz VWECBEVBXYNKPV-JTQLQIEISA-N 0 1 247.342 2.121 20 0 BEADMN O=C([O-])c1ccc(-c2cc[nH+]c3c2CCN3)cc1 ZINC001236063839 979356816 /nfs/dbraw/zinc/35/68/16/979356816.db2.gz IQIPMJHALVGXHR-UHFFFAOYSA-N 0 1 240.262 2.058 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NC(C)(C)C1CC1 ZINC001181996105 979394848 /nfs/dbraw/zinc/39/48/48/979394848.db2.gz JUAYNANOFPMJFJ-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN COc1cc(C)cc(F)c1-c1cnc(CN)nc1 ZINC001236224235 979455191 /nfs/dbraw/zinc/45/51/91/979455191.db2.gz XORSEJSIUJOIRY-UHFFFAOYSA-N 0 1 247.273 2.058 20 0 BEADMN CCC(CC)[N@@H+](CC)Cc1oncc1C(=O)[O-] ZINC001595114445 979465061 /nfs/dbraw/zinc/46/50/61/979465061.db2.gz MXRWTLRMWQALJW-UHFFFAOYSA-N 0 1 240.303 2.383 20 0 BEADMN CC(C)O[C@H]1C[C@@H](NCc2ncccc2F)C1 ZINC001182248587 979481432 /nfs/dbraw/zinc/48/14/32/979481432.db2.gz ARLSEFZZBBDBPU-PHIMTYICSA-N 0 1 238.306 2.266 20 0 BEADMN CCC[C@@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341784516 979558216 /nfs/dbraw/zinc/55/82/16/979558216.db2.gz FNIZBZBYIQYMRV-SECBINFHSA-N 0 1 247.298 2.437 20 0 BEADMN CCC[C@@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341784516 979558223 /nfs/dbraw/zinc/55/82/23/979558223.db2.gz FNIZBZBYIQYMRV-SECBINFHSA-N 0 1 247.298 2.437 20 0 BEADMN CCC[C@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001341784517 979559886 /nfs/dbraw/zinc/55/98/86/979559886.db2.gz FNIZBZBYIQYMRV-VIFPVBQESA-N 0 1 247.298 2.437 20 0 BEADMN CCC[C@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001341784517 979559897 /nfs/dbraw/zinc/55/98/97/979559897.db2.gz FNIZBZBYIQYMRV-VIFPVBQESA-N 0 1 247.298 2.437 20 0 BEADMN COCc1nccnc1-c1c(F)ccc(C)c1O ZINC001236392011 979579624 /nfs/dbraw/zinc/57/96/24/979579624.db2.gz KEEZQZTVVSVVGA-UHFFFAOYSA-N 0 1 248.257 2.443 20 0 BEADMN COCC[N@@H+](C)Cc1cc(C)c(F)cc1OC ZINC001250088794 979633669 /nfs/dbraw/zinc/63/36/69/979633669.db2.gz USAOJCVWTOTYAB-UHFFFAOYSA-N 0 1 241.306 2.221 20 0 BEADMN COCCN(C)Cc1cc(C)c(F)cc1OC ZINC001250088794 979633675 /nfs/dbraw/zinc/63/36/75/979633675.db2.gz USAOJCVWTOTYAB-UHFFFAOYSA-N 0 1 241.306 2.221 20 0 BEADMN Oc1cncc(-c2cccc3nc[nH]c32)c1 ZINC001236581211 979659354 /nfs/dbraw/zinc/65/93/54/979659354.db2.gz OMHLWXIQRMNREH-UHFFFAOYSA-N 0 1 211.224 2.331 20 0 BEADMN CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001604615450 979682971 /nfs/dbraw/zinc/68/29/71/979682971.db2.gz NEFXAUHHDRKVEH-SECBINFHSA-N 0 1 234.299 2.111 20 0 BEADMN Cc1[nH]c(C[N@@H+]2CC=C(C)CC2)cc1C(=O)[O-] ZINC001604616302 979685136 /nfs/dbraw/zinc/68/51/36/979685136.db2.gz PDCXCRMNAZNRMG-UHFFFAOYSA-N 0 1 234.299 2.173 20 0 BEADMN CCOc1ncc(CN2CC[C@@H](C)C2)cc1F ZINC001236694204 979694422 /nfs/dbraw/zinc/69/44/22/979694422.db2.gz YTWCBIKSNNXNSF-SNVBAGLBSA-N 0 1 238.306 2.461 20 0 BEADMN COC1CCN(Cc2ccc(F)c(O)c2)CC1 ZINC001236701856 979697328 /nfs/dbraw/zinc/69/73/28/979697328.db2.gz HGTQFYVNFJNQBP-UHFFFAOYSA-N 0 1 239.290 2.142 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2[C@H](C(=O)[O-])C2(F)F)C1 ZINC001604698268 979706885 /nfs/dbraw/zinc/70/68/85/979706885.db2.gz PCVCJXIHPMFGSJ-UTINFBMNSA-N 0 1 247.285 2.073 20 0 BEADMN CCC(=O)CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC001604852772 979738052 /nfs/dbraw/zinc/73/80/52/979738052.db2.gz ILEOEIHNRZFIIF-LBPRGKRZSA-N 0 1 243.347 2.177 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NC[C@H]1C=CCC1 ZINC001331364520 979743405 /nfs/dbraw/zinc/74/34/05/979743405.db2.gz ORJUVEQEEXHLDQ-GXTWGEPZSA-N 0 1 244.338 2.077 20 0 BEADMN CCOc1cncc(CN2CCC3(CC3)C2)c1 ZINC001236837076 979750270 /nfs/dbraw/zinc/75/02/70/979750270.db2.gz FAJVWVABEOLTJG-UHFFFAOYSA-N 0 1 232.327 2.466 20 0 BEADMN CCc1cc(CN2CC3CC(C3)C2)on1 ZINC001203229407 979782239 /nfs/dbraw/zinc/78/22/39/979782239.db2.gz VIRZWZJQDAWBRV-UHFFFAOYSA-N 0 1 206.289 2.079 20 0 BEADMN CC[C@H](C)[N@@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001604963681 979789204 /nfs/dbraw/zinc/78/92/04/979789204.db2.gz VFQDDCVGBCQKED-ONGXEEELSA-N 0 1 241.331 2.254 20 0 BEADMN CC/C=C\CCN1CCN[C@H](C(F)(F)F)C1 ZINC001236981110 979801894 /nfs/dbraw/zinc/80/18/94/979801894.db2.gz LFFCWCXVNPOVAY-XOULXFPDSA-N 0 1 236.281 2.179 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C)c(O)cc1C ZINC001183325997 979817308 /nfs/dbraw/zinc/81/73/08/979817308.db2.gz YRNOYEVZGKPYPP-UHFFFAOYSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)[O-])CC2)c1 ZINC001605151200 979822893 /nfs/dbraw/zinc/82/28/93/979822893.db2.gz KNBJLILDYVEBPY-UHFFFAOYSA-N 0 1 245.322 2.477 20 0 BEADMN CC[C@@H]1CCC[N@@H+](C[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1 ZINC001605166361 979827092 /nfs/dbraw/zinc/82/70/92/979827092.db2.gz LLJZSYFQZAEPPU-UTLUCORTSA-N 0 1 247.285 2.074 20 0 BEADMN CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)[C@@H]1C ZINC001605172537 979828420 /nfs/dbraw/zinc/82/84/20/979828420.db2.gz UCWUKOJBUOFZHP-GHMZBOCLSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@H]1CC[N@H+]1Cc1cc(C(=O)[O-])c(C)o1 ZINC001605171642 979829985 /nfs/dbraw/zinc/82/99/85/979829985.db2.gz NUKXLPAQDRETNI-VIFPVBQESA-N 0 1 223.272 2.271 20 0 BEADMN CC/C=C\C[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC001605185806 979832410 /nfs/dbraw/zinc/83/24/10/979832410.db2.gz CXGPCNAEXZRLSJ-XOULXFPDSA-N 0 1 225.313 2.430 20 0 BEADMN CC(=O)[C@@H]1CCCN1CC1OC=CC1=S ZINC001237188964 979843262 /nfs/dbraw/zinc/84/32/62/979843262.db2.gz YTPXPTLXXWYKIZ-VIFPVBQESA-N 0 1 225.313 2.122 20 0 BEADMN CCCCC[C@@H]([NH2+]Cc1ocnc1C)C(=O)[O-] ZINC001605260082 979849083 /nfs/dbraw/zinc/84/90/83/979849083.db2.gz KTLUFLHKCGLIJM-SNVBAGLBSA-N 0 1 240.303 2.106 20 0 BEADMN CSc1ccc(F)c(-n2cncc2N)c1 ZINC001250120204 979857845 /nfs/dbraw/zinc/85/78/45/979857845.db2.gz SSBCUDZQMKWXPQ-UHFFFAOYSA-N 0 1 223.276 2.316 20 0 BEADMN COc1ccc2c(c1)[nH]nc2CN(C)C1CC1 ZINC001237385628 979883204 /nfs/dbraw/zinc/88/32/04/979883204.db2.gz NTGDVLMQFWOCFZ-UHFFFAOYSA-N 0 1 231.299 2.166 20 0 BEADMN C[C@@H]1CCN(Cc2cc3ccccn3n2)C1 ZINC001237438602 979890708 /nfs/dbraw/zinc/89/07/08/979890708.db2.gz JYFZFYODMAUMNB-LLVKDONJSA-N 0 1 215.300 2.176 20 0 BEADMN CCc1[nH]c(C[NH+]2CC3(CCC3)C2)cc1C(=O)[O-] ZINC001605771849 979915046 /nfs/dbraw/zinc/91/50/46/979915046.db2.gz LEJCJVVRQSEZEA-UHFFFAOYSA-N 0 1 248.326 2.261 20 0 BEADMN CCc1ccc(C2=CC[N@@H+](CC(=O)[O-])CC2)cc1 ZINC001605811730 979915834 /nfs/dbraw/zinc/91/58/34/979915834.db2.gz VUNZUUVOPBVYOD-UHFFFAOYSA-N 0 1 245.322 2.423 20 0 BEADMN COC[C@@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC001342848425 979916804 /nfs/dbraw/zinc/91/68/04/979916804.db2.gz QPKWZCYLZQXJJE-LLVKDONJSA-N 0 1 239.315 2.147 20 0 BEADMN CCc1ccc[nH+]c1N[C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001605835753 979919554 /nfs/dbraw/zinc/91/95/54/979919554.db2.gz ARYHIGURWRFDMT-DVVUODLYSA-N 0 1 234.299 2.165 20 0 BEADMN CCc1ccc[nH+]c1N[C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC001605835754 979919579 /nfs/dbraw/zinc/91/95/79/979919579.db2.gz ARYHIGURWRFDMT-FBIMIBRVSA-N 0 1 234.299 2.165 20 0 BEADMN Cc1cc(OCC(=O)c2cccn2C)cc(C)n1 ZINC001342916042 979938464 /nfs/dbraw/zinc/93/84/64/979938464.db2.gz RBLLORZYHLYPPU-UHFFFAOYSA-N 0 1 244.294 2.299 20 0 BEADMN CCn1cncc1CN1CC[C@@](C)(CF)C1 ZINC001237588449 979949023 /nfs/dbraw/zinc/94/90/23/979949023.db2.gz SCJPCCQDUDZFTB-LBPRGKRZSA-N 0 1 225.311 2.085 20 0 BEADMN Cc1cccc([C@@H]2CCCN2Cc2nnc[nH]2)c1 ZINC001237600932 979953088 /nfs/dbraw/zinc/95/30/88/979953088.db2.gz CUGDFNJEIBOBFI-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccccc1[C@@H]1CCCN1Cc1nnc[nH]1 ZINC001237600804 979954482 /nfs/dbraw/zinc/95/44/82/979954482.db2.gz TWJBLIKJYJSLPX-ZDUSSCGKSA-N 0 1 242.326 2.450 20 0 BEADMN c1nnc(CN2CCC[C@H](c3ccccc3)C2)[nH]1 ZINC001237602206 979958823 /nfs/dbraw/zinc/95/88/23/979958823.db2.gz PRKOTCRSIKNKOD-ZDUSSCGKSA-N 0 1 242.326 2.184 20 0 BEADMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)CC(C)(C)C ZINC001606145415 979965450 /nfs/dbraw/zinc/96/54/50/979965450.db2.gz ADBALZGRCABWDA-UHFFFAOYSA-N 0 1 224.304 2.191 20 0 BEADMN CCc1[nH]ncc1CN1CC[C@@](C)(F)[C@@H](F)C1 ZINC001237651333 980003024 /nfs/dbraw/zinc/00/30/24/980003024.db2.gz JOFPPAIEUJXSQW-NWDGAFQWSA-N 0 1 243.301 2.244 20 0 BEADMN CON(C(=O)c1cnc(C2CC2)[nH]1)C1CCCC1 ZINC001343110665 980010994 /nfs/dbraw/zinc/01/09/94/980010994.db2.gz UAPHNYYNVNXILU-UHFFFAOYSA-N 0 1 249.314 2.233 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H](C)C1(C)CC1 ZINC001343170595 980029548 /nfs/dbraw/zinc/02/95/48/980029548.db2.gz CXLWATQWBQTKRH-WCQYABFASA-N 0 1 246.354 2.300 20 0 BEADMN c1cc2c(c(CN3CC4(CSC4)C3)c1)OCC2 ZINC001237745789 980044279 /nfs/dbraw/zinc/04/42/79/980044279.db2.gz CIYOLMWDXKZABM-UHFFFAOYSA-N 0 1 247.363 2.170 20 0 BEADMN COCC[C@H]1CCCCN1Cc1ncc(C)cn1 ZINC001237805937 980055589 /nfs/dbraw/zinc/05/55/89/980055589.db2.gz KNIABDZIXMPWJV-CYBMUJFWSA-N 0 1 249.358 2.176 20 0 BEADMN Cc1nc(CN(C)[C@H]2CCCOC2)ccc1F ZINC001237822089 980069383 /nfs/dbraw/zinc/06/93/83/980069383.db2.gz HXBFYZVZCILYAQ-LBPRGKRZSA-N 0 1 238.306 2.140 20 0 BEADMN CCc1ncc(CN2CC[C@@H](O)C[C@H]2C)s1 ZINC001237826333 980073942 /nfs/dbraw/zinc/07/39/42/980073942.db2.gz IXBLWSZORUAFRA-NXEZZACHSA-N 0 1 240.372 2.051 20 0 BEADMN CCc1ncc(CN2CC[C@@H](C(C)=O)C2)s1 ZINC001237831526 980080450 /nfs/dbraw/zinc/08/04/50/980080450.db2.gz XCUBUPIVJZQMFW-SNVBAGLBSA-N 0 1 238.356 2.116 20 0 BEADMN COc1ccoc1CN1CC[C@@](C)(CF)C1 ZINC001237869290 980105327 /nfs/dbraw/zinc/10/53/27/980105327.db2.gz PBIDSYIONCUXOW-LBPRGKRZSA-N 0 1 227.279 2.470 20 0 BEADMN CCCO[C@@H]1CCN(Cc2occc2OC)C1 ZINC001237871043 980105372 /nfs/dbraw/zinc/10/53/72/980105372.db2.gz PNVYPRCOAXBVIM-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN COc1ccoc1CN1CC[C@@]2(CCCO2)C1 ZINC001237868814 980106782 /nfs/dbraw/zinc/10/67/82/980106782.db2.gz OMMUTHJWMKZBFK-ZDUSSCGKSA-N 0 1 237.299 2.043 20 0 BEADMN CC[C@@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343431852 980107549 /nfs/dbraw/zinc/10/75/49/980107549.db2.gz SFRKJILODZXYAZ-MRVPVSSYSA-N 0 1 233.271 2.047 20 0 BEADMN CC[C@@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343431852 980107551 /nfs/dbraw/zinc/10/75/51/980107551.db2.gz SFRKJILODZXYAZ-MRVPVSSYSA-N 0 1 233.271 2.047 20 0 BEADMN CC[C@H](C)C(=O)OCc1ccc2[nH]nnc2c1 ZINC001343431854 980108312 /nfs/dbraw/zinc/10/83/12/980108312.db2.gz SFRKJILODZXYAZ-QMMMGPOBSA-N 0 1 233.271 2.047 20 0 BEADMN CC[C@H](C)C(=O)OCc1ccc2nn[nH]c2c1 ZINC001343431854 980108317 /nfs/dbraw/zinc/10/83/17/980108317.db2.gz SFRKJILODZXYAZ-QMMMGPOBSA-N 0 1 233.271 2.047 20 0 BEADMN CCCO[C@H]1CCN(Cc2occc2OC)C1 ZINC001237871990 980108799 /nfs/dbraw/zinc/10/87/99/980108799.db2.gz PNVYPRCOAXBVIM-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN CCOC(=O)c1ccccc1CN(C)C1CC1 ZINC001237879318 980110396 /nfs/dbraw/zinc/11/03/96/980110396.db2.gz LEOHIMKBKVJNMK-UHFFFAOYSA-N 0 1 233.311 2.458 20 0 BEADMN CN(Cc1cc(F)c(O)c(Cl)c1)C1COC1 ZINC001237990674 980123030 /nfs/dbraw/zinc/12/30/30/980123030.db2.gz XTABHAMATFQFNU-UHFFFAOYSA-N 0 1 245.681 2.015 20 0 BEADMN Cc1c[nH]nc1CNCc1ccc2c(c1)CCC2 ZINC001343504364 980133538 /nfs/dbraw/zinc/13/35/38/980133538.db2.gz UZBSZPKDMKNRJB-UHFFFAOYSA-N 0 1 241.338 2.497 20 0 BEADMN Cc1cccc(NCc2cc(C(=O)[O-])co2)[nH+]1 ZINC001607857571 980133764 /nfs/dbraw/zinc/13/37/64/980133764.db2.gz XMTLILRFNHZSFL-UHFFFAOYSA-N 0 1 232.239 2.293 20 0 BEADMN Cc1cc[nH+]c(NCc2ccc(C(=O)[O-])n2C)c1 ZINC001607895298 980137226 /nfs/dbraw/zinc/13/72/26/980137226.db2.gz QEQSURHUVWIGBF-UHFFFAOYSA-N 0 1 245.282 2.039 20 0 BEADMN Clc1ccc(CNCc2cccnc2)cn1 ZINC000073621947 980149144 /nfs/dbraw/zinc/14/91/44/980149144.db2.gz FWXZYFHODHRQKY-UHFFFAOYSA-N 0 1 233.702 2.420 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1cccc2cncn21 ZINC001238102622 980152963 /nfs/dbraw/zinc/15/29/63/980152963.db2.gz GEDZTWOTFLCKHO-GHMZBOCLSA-N 0 1 233.290 2.267 20 0 BEADMN CC(C)(C)N1CC(NC(=O)CC2(C)CCC2)C1 ZINC001185108626 980175456 /nfs/dbraw/zinc/17/54/56/980175456.db2.gz BJKCJYXGQAZMSD-UHFFFAOYSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@@H]1CCCN(Cc2c(N)ccnc2F)CC1 ZINC001238151215 980175735 /nfs/dbraw/zinc/17/57/35/980175735.db2.gz ZJLIXJXVAYLSSN-SNVBAGLBSA-N 0 1 237.322 2.425 20 0 BEADMN Nc1ccnc(F)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001238150091 980175841 /nfs/dbraw/zinc/17/58/41/980175841.db2.gz OBYFQHLVAORCHM-AOOOYVTPSA-N 0 1 235.306 2.035 20 0 BEADMN CCCCN(CC)Cc1c(N)ccnc1F ZINC001238152232 980178158 /nfs/dbraw/zinc/17/81/58/980178158.db2.gz ITTTUNPYAGQZQX-UHFFFAOYSA-N 0 1 225.311 2.425 20 0 BEADMN CSC1CCN(Cc2cncnc2C)CC1 ZINC001238171148 980200255 /nfs/dbraw/zinc/20/02/55/980200255.db2.gz TVLYAURBUWXERU-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN CC[C@H](C)C(=O)NCCCCc1ccnc(N)c1 ZINC001608285581 980201939 /nfs/dbraw/zinc/20/19/39/980201939.db2.gz ZOCFJTWPFRHGOU-NSHDSACASA-N 0 1 249.358 2.149 20 0 BEADMN Nc1cccc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC001608274599 980203252 /nfs/dbraw/zinc/20/32/52/980203252.db2.gz NKEZQABLVJKAGR-UHFFFAOYSA-N 0 1 248.326 2.098 20 0 BEADMN C[C@H]1COCCN(Cc2cncc(C3CC3)c2)C1 ZINC001238181664 980211704 /nfs/dbraw/zinc/21/17/04/980211704.db2.gz LJMKZDHGAGXUDJ-GFCCVEGCSA-N 0 1 246.354 2.427 20 0 BEADMN C[C@@H]1CCN(Cc2cncc(C3CC3)c2)C[C@H]1O ZINC001238182521 980212615 /nfs/dbraw/zinc/21/26/15/980212615.db2.gz UQRCBPSMBLOPAE-IAQYHMDHSA-N 0 1 246.354 2.162 20 0 BEADMN CC1(O)CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238182695 980214040 /nfs/dbraw/zinc/21/40/40/980214040.db2.gz VOENZWFIOFGVFX-UHFFFAOYSA-N 0 1 246.354 2.306 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC=C(c3ccco3)C2)CC1 ZINC001608569877 980234899 /nfs/dbraw/zinc/23/48/99/980234899.db2.gz YEOXCNFZUNDAIL-UHFFFAOYSA-N 0 1 247.294 2.234 20 0 BEADMN CCN(CC)Cc1ccc(OC)c(O)c1F ZINC001238365502 980243381 /nfs/dbraw/zinc/24/33/81/980243381.db2.gz IEVMHYXVUWQKBX-UHFFFAOYSA-N 0 1 227.279 2.382 20 0 BEADMN O=C([O-])[C@H]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC001608619720 980250458 /nfs/dbraw/zinc/25/04/58/980250458.db2.gz VUHMZFGOVOMASC-VHSXEESVSA-N 0 1 234.299 2.188 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)ncc1Cl ZINC001238420246 980251885 /nfs/dbraw/zinc/25/18/85/980251885.db2.gz UZXOVJJINGAAQL-AOOOYVTPSA-N 0 1 222.719 2.495 20 0 BEADMN Cc1cnc(CN2CCSCC2)c(C)c1 ZINC001238432560 980260050 /nfs/dbraw/zinc/26/00/50/980260050.db2.gz SPWOVENDJXIHNM-UHFFFAOYSA-N 0 1 222.357 2.247 20 0 BEADMN Cc1cnc(CN(C)[C@@H]2CCCOC2)c(C)c1 ZINC001238438199 980261637 /nfs/dbraw/zinc/26/16/37/980261637.db2.gz QVECPMBJGVVFMP-CYBMUJFWSA-N 0 1 234.343 2.309 20 0 BEADMN CCc1cc(NC(=O)Nc2cccnc2)ccn1 ZINC001185656193 980261831 /nfs/dbraw/zinc/26/18/31/980261831.db2.gz JYRAESBVQYJLDM-UHFFFAOYSA-N 0 1 242.282 2.105 20 0 BEADMN Cc1cnc(CN2CC[C@@]23CCOC3)c(C)c1 ZINC001238436462 980263220 /nfs/dbraw/zinc/26/32/20/980263220.db2.gz VPORFPHTRXGMMJ-AWEZNQCLSA-N 0 1 232.327 2.063 20 0 BEADMN COc1cc(CN2CC[C@H](C)C2)cnc1F ZINC001238452495 980268919 /nfs/dbraw/zinc/26/89/19/980268919.db2.gz MRTLEYGLHSTGBW-VIFPVBQESA-N 0 1 224.279 2.071 20 0 BEADMN Cc1nc[nH]c1C(=O)OCCc1cccs1 ZINC001343889102 980268948 /nfs/dbraw/zinc/26/89/48/980268948.db2.gz WJKRUZYKZSKQHZ-UHFFFAOYSA-N 0 1 236.296 2.179 20 0 BEADMN Cc1ccc(Cl)c(CN2CCN(C)CC2)c1 ZINC001238555123 980288386 /nfs/dbraw/zinc/28/83/86/980288386.db2.gz CSDHEQQQVOBROR-UHFFFAOYSA-N 0 1 238.762 2.396 20 0 BEADMN CC(C)Oc1cc(CN(C)C)cnc1F ZINC001238590276 980293725 /nfs/dbraw/zinc/29/37/25/980293725.db2.gz KAKOBQVTCMKDCL-UHFFFAOYSA-N 0 1 212.268 2.070 20 0 BEADMN CSc1cc(C)cc(CN2CC(CO)C2)c1 ZINC001238685753 980308547 /nfs/dbraw/zinc/30/85/47/980308547.db2.gz QBCXRBOUIPNFAA-UHFFFAOYSA-N 0 1 237.368 2.141 20 0 BEADMN CC[C@@H]([NH2+]C(C)(C)c1ncc(C)s1)C(=O)[O-] ZINC001595278715 980313361 /nfs/dbraw/zinc/31/33/61/980313361.db2.gz HXEHYXXMAVBAHV-MRVPVSSYSA-N 0 1 242.344 2.139 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)c1cscn1 ZINC001344054519 980328781 /nfs/dbraw/zinc/32/87/81/980328781.db2.gz XHWBZLRYTWRXRL-SSDOTTSWSA-N 0 1 237.284 2.093 20 0 BEADMN NCc1ncc(-c2ccc(C3CC3)cc2)cn1 ZINC001238832226 980332340 /nfs/dbraw/zinc/33/23/40/980332340.db2.gz TZGYMKRFYSDGDW-UHFFFAOYSA-N 0 1 225.295 2.480 20 0 BEADMN C[C@H](C[N@H+]1CC[C@@](F)(C(=O)[O-])C1)C(C)(C)C ZINC000901519699 980337599 /nfs/dbraw/zinc/33/75/99/980337599.db2.gz RFHJUOWXDKUAAO-SKDRFNHKSA-N 0 1 231.311 2.167 20 0 BEADMN c1cc(C2CC2)ncc1-c1cc2c(nn1)CNC2 ZINC001238850833 980341700 /nfs/dbraw/zinc/34/17/00/980341700.db2.gz OJXINGZRKHRFGG-UHFFFAOYSA-N 0 1 238.294 2.019 20 0 BEADMN Cc1cnc(-c2cnn(C(F)F)c2)cc1N ZINC001238863118 980350722 /nfs/dbraw/zinc/35/07/22/980350722.db2.gz IRQYTGREBLEPHS-UHFFFAOYSA-N 0 1 224.214 2.231 20 0 BEADMN CCN(CC(=O)OCC(C)C)C(C)(C)C ZINC001344335816 980372335 /nfs/dbraw/zinc/37/23/35/980372335.db2.gz QXPBCDMCOJFBRJ-UHFFFAOYSA-N 0 1 215.337 2.306 20 0 BEADMN C=Cc1ccc(C(=O)NCc2cc(C)[nH]n2)cc1 ZINC001186527739 980392802 /nfs/dbraw/zinc/39/28/02/980392802.db2.gz YPOOEZZRKSWMPW-UHFFFAOYSA-N 0 1 241.294 2.291 20 0 BEADMN NCc1ncc(-c2coc3ccccc23)cn1 ZINC001239062483 980431195 /nfs/dbraw/zinc/43/11/95/980431195.db2.gz XKOPLWRGRUMSTJ-UHFFFAOYSA-N 0 1 225.251 2.349 20 0 BEADMN CN(Cc1ccc(-c2cnoc2)nc1)C1CC1 ZINC001239172771 980484588 /nfs/dbraw/zinc/48/45/88/980484588.db2.gz UUBVWGLWTTYBQU-UHFFFAOYSA-N 0 1 229.283 2.331 20 0 BEADMN COC(=O)c1cc2cc(-c3cnoc3)cnc2[nH]1 ZINC001239177778 980486328 /nfs/dbraw/zinc/48/63/28/980486328.db2.gz LHISFNCLLFSYMC-UHFFFAOYSA-N 0 1 243.222 2.005 20 0 BEADMN Cc1ccccc1NC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001239305394 980523442 /nfs/dbraw/zinc/52/34/42/980523442.db2.gz XYQYASQMCCVVFR-RYUDHWBXSA-N 0 1 247.342 2.209 20 0 BEADMN C[C@H]1CCCCN(C(=O)c2[nH]ncc2Cl)C1 ZINC001187832016 980563178 /nfs/dbraw/zinc/56/31/78/980563178.db2.gz MYFZXBUZTTWJIM-QMMMGPOBSA-N 0 1 241.722 2.325 20 0 BEADMN CNc1ccc(-c2cncc3nc[nH]c32)c(F)n1 ZINC001239420917 980570438 /nfs/dbraw/zinc/57/04/38/980570438.db2.gz KSAFLJBUVCWEPL-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CNc1ccc(-c2cncc3[nH]cnc32)c(F)n1 ZINC001239420917 980570443 /nfs/dbraw/zinc/57/04/43/980570443.db2.gz KSAFLJBUVCWEPL-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN C[C@@H]1CN(C(=S)Nc2ccccc2)C[C@H](C)N1 ZINC001239460505 980587153 /nfs/dbraw/zinc/58/71/53/980587153.db2.gz KZSRORUGTBGUMH-PHIMTYICSA-N 0 1 249.383 2.066 20 0 BEADMN C/C=C(/C)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001345280719 980593559 /nfs/dbraw/zinc/59/35/59/980593559.db2.gz UXYWXQIEGRPPMQ-UTCJRWHESA-N 0 1 248.204 2.438 20 0 BEADMN COc1nc(-c2ccc(F)cc2)nc2[nH]cnc21 ZINC001239473258 980606179 /nfs/dbraw/zinc/60/61/79/980606179.db2.gz MZTWOWMIJGEMNG-UHFFFAOYSA-N 0 1 244.229 2.168 20 0 BEADMN C[C@@H](OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1nnc[nH]1 ZINC001345419956 980608784 /nfs/dbraw/zinc/60/87/84/980608784.db2.gz FXNFWJQQODJGCI-VPOLOUISSA-N 0 1 249.314 2.235 20 0 BEADMN C1=C(c2cc(N3CCCC3)ccn2)COC1 ZINC001239475325 980611572 /nfs/dbraw/zinc/61/15/72/980611572.db2.gz CUYRJWWTZKTGKO-UHFFFAOYSA-N 0 1 216.284 2.095 20 0 BEADMN Cc1cc(C)cc(-c2cc3c(nn2)CNC3)c1 ZINC001239522071 980693278 /nfs/dbraw/zinc/69/32/78/980693278.db2.gz CSAJTWSCKOSZBS-UHFFFAOYSA-N 0 1 225.295 2.364 20 0 BEADMN Fc1cccc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001239532212 980704391 /nfs/dbraw/zinc/70/43/91/980704391.db2.gz KDPMCWPXAAEAME-UHFFFAOYSA-N 0 1 232.193 2.250 20 0 BEADMN Cc1[nH]ncc1CC(=O)c1cccs1 ZINC001250304795 980728129 /nfs/dbraw/zinc/72/81/29/980728129.db2.gz BLSWCXOTDWSEIA-UHFFFAOYSA-N 0 1 206.270 2.205 20 0 BEADMN CCn1cc(Nc2ccc3cncn3c2)cn1 ZINC001250323560 980766538 /nfs/dbraw/zinc/76/65/38/980766538.db2.gz GWHWICXRHWSGGO-UHFFFAOYSA-N 0 1 227.271 2.294 20 0 BEADMN Cc1cc2[nH]ncc2cc1Cc1ncccn1 ZINC001250342588 980810398 /nfs/dbraw/zinc/81/03/98/980810398.db2.gz GUXXRAPJRCAGSX-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN CC[C@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001595371298 980849545 /nfs/dbraw/zinc/84/95/45/980849545.db2.gz YQMHPDDIGXPXSW-CYBMUJFWSA-N 0 1 236.315 2.335 20 0 BEADMN Fc1cccc(-c2ncnc3c2CNC3)c1F ZINC001239704026 980857538 /nfs/dbraw/zinc/85/75/38/980857538.db2.gz GFPHXPCEOZGXDJ-UHFFFAOYSA-N 0 1 233.221 2.025 20 0 BEADMN Cc1[nH]nc2cc(Cc3cnccn3)ccc21 ZINC001250372009 980870063 /nfs/dbraw/zinc/87/00/63/980870063.db2.gz HITQNEZQRNUDQP-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN Cc1cccc(-c2cnc(CN)nc2)c1C ZINC001239716053 980871482 /nfs/dbraw/zinc/87/14/82/980871482.db2.gz DZSADFOPOZJEOW-UHFFFAOYSA-N 0 1 213.284 2.219 20 0 BEADMN Cc1cc2[nH]ncc2cc1Cc1cnccn1 ZINC001250373084 980871873 /nfs/dbraw/zinc/87/18/73/980871873.db2.gz HMARRBYWHTUFQB-UHFFFAOYSA-N 0 1 224.267 2.252 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)C[C@@H](C)CC)n[nH]1 ZINC001346679976 980882896 /nfs/dbraw/zinc/88/28/96/980882896.db2.gz YPXRFOYVNNAYQH-DTWKUNHWSA-N 0 1 239.319 2.408 20 0 BEADMN COc1ccc(C)cc1-c1ncc2c(n1)CNC2 ZINC001239764110 980904513 /nfs/dbraw/zinc/90/45/13/980904513.db2.gz HGMFGCDTUOBGNW-UHFFFAOYSA-N 0 1 241.294 2.064 20 0 BEADMN Cc1cc(CNC(C)(C)c2c(C)noc2C)[nH]n1 ZINC001346879955 980927872 /nfs/dbraw/zinc/92/78/72/980927872.db2.gz ADEQLKUAIVPIRL-UHFFFAOYSA-N 0 1 248.330 2.348 20 0 BEADMN C[C@H]([C@H](C)O)N1CCc2c(Cl)cccc2C1 ZINC001191131461 980990741 /nfs/dbraw/zinc/99/07/41/980990741.db2.gz FYXXSXGVVJQFST-ZJUUUORDSA-N 0 1 239.746 2.467 20 0 BEADMN COc1ncccc1-c1nccc(N)c1C ZINC001239855973 980997171 /nfs/dbraw/zinc/99/71/71/980997171.db2.gz LTSRKYSGPZTZDR-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595408954 981003498 /nfs/dbraw/zinc/00/34/98/981003498.db2.gz PRVZFWOCUPUOLH-MWLCHTKSSA-N 0 1 236.315 2.333 20 0 BEADMN NC(=O)c1cccc(-c2cccc3cncn32)c1 ZINC001239884926 981019962 /nfs/dbraw/zinc/01/99/62/981019962.db2.gz POOJOLNZMLMPLT-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN NC(=O)c1cccc(-c2cccn3cncc23)c1 ZINC001239885670 981020298 /nfs/dbraw/zinc/02/02/98/981020298.db2.gz ICJUNBMNBBVZRV-UHFFFAOYSA-N 0 1 237.262 2.100 20 0 BEADMN CCc1nc(CSCc2nnc[nH]2)cs1 ZINC001347253461 981021258 /nfs/dbraw/zinc/02/12/58/981021258.db2.gz PDWMPSLWFMDVGO-UHFFFAOYSA-N 0 1 240.357 2.257 20 0 BEADMN COc1cncc(-c2ccc3cncn3c2)c1 ZINC001239929405 981039144 /nfs/dbraw/zinc/03/91/44/981039144.db2.gz UOUDPXJHLOCRJJ-UHFFFAOYSA-N 0 1 225.251 2.405 20 0 BEADMN Cn1cccc1[C@@H]1CCCCN1CC1=NOCC1 ZINC001191486388 981041927 /nfs/dbraw/zinc/04/19/27/981041927.db2.gz PTLIHFLWUIGGOU-AWEZNQCLSA-N 0 1 247.342 2.328 20 0 BEADMN c1ccc2c(c1)cncc2-c1cc2c(nn1)CNC2 ZINC001239944420 981052207 /nfs/dbraw/zinc/05/22/07/981052207.db2.gz BAOFENWSKBUUAR-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)CC1CC1 ZINC001347491662 981095569 /nfs/dbraw/zinc/09/55/69/981095569.db2.gz OSVYKRPURFPLFD-UHFFFAOYSA-N 0 1 230.271 2.005 20 0 BEADMN CC[C@@H](C)[C@H](C)C(=O)NCc1n[nH]c(C)c1C ZINC001347614425 981128874 /nfs/dbraw/zinc/12/88/74/981128874.db2.gz SGZARDAICLSTMC-BDAKNGLRSA-N 0 1 237.347 2.325 20 0 BEADMN CCC1(C(=O)NCc2n[nH]c(C)c2C)CCC1 ZINC001347612898 981128970 /nfs/dbraw/zinc/12/89/70/981128970.db2.gz BVYDSKAQPKKHRY-UHFFFAOYSA-N 0 1 235.331 2.223 20 0 BEADMN CCc1ccc(CSc2nnc(C)[nH]2)nc1 ZINC001347627965 981131540 /nfs/dbraw/zinc/13/15/40/981131540.db2.gz KREVHXVJRJLULW-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN CCc1ccc(CSc2nc(C)n[nH]2)nc1 ZINC001347627965 981131544 /nfs/dbraw/zinc/13/15/44/981131544.db2.gz KREVHXVJRJLULW-UHFFFAOYSA-N 0 1 234.328 2.363 20 0 BEADMN Cc1nn(C)c(C)c1-c1cccn2cncc12 ZINC001240145038 981145204 /nfs/dbraw/zinc/14/52/04/981145204.db2.gz MQJCGKRTCFJGSR-UHFFFAOYSA-N 0 1 226.283 2.352 20 0 BEADMN CC[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)[C@H]1C ZINC001595464578 981151035 /nfs/dbraw/zinc/15/10/35/981151035.db2.gz QZNQIINHDIRGJK-JQWIXIFHSA-N 0 1 248.326 2.400 20 0 BEADMN CC[C@@H]1CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC001595468373 981162096 /nfs/dbraw/zinc/16/20/96/981162096.db2.gz UONANVBHWTUQAG-SECBINFHSA-N 0 1 225.313 2.431 20 0 BEADMN NCc1ncc(-c2c3cc[nH]c3ccc2F)cn1 ZINC001240215126 981164077 /nfs/dbraw/zinc/16/40/77/981164077.db2.gz WWJXUAOBQZYASY-UHFFFAOYSA-N 0 1 242.257 2.223 20 0 BEADMN C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccn1C1CC1 ZINC001347782925 981170837 /nfs/dbraw/zinc/17/08/37/981170837.db2.gz VYNUYYUMIBTLFN-QWHCGFSZSA-N 0 1 247.386 2.347 20 0 BEADMN O[C@@H]1CCCC[C@H]1CN1CCC[C@H]1c1ncc[nH]1 ZINC001192682271 981180867 /nfs/dbraw/zinc/18/08/67/981180867.db2.gz XKJRVQUQHZFTDP-RWMBFGLXSA-N 0 1 249.358 2.098 20 0 BEADMN C[C@@H](C(=O)N[C@H]1C[C@@H](C)c2ccccc21)N(C)C ZINC000078711869 981199236 /nfs/dbraw/zinc/19/92/36/981199236.db2.gz FIRWVYLRQWHWRS-SUNKGSAMSA-N 0 1 246.354 2.301 20 0 BEADMN Nc1nccc(NCCCCc2ccccc2)n1 ZINC001347877564 981205332 /nfs/dbraw/zinc/20/53/32/981205332.db2.gz AFOOLNHIXKYCCM-UHFFFAOYSA-N 0 1 242.326 2.494 20 0 BEADMN Cc1[nH]nc(CNC(=O)C2=CC[C@H](C)CC2)c1C ZINC001348120981 981286463 /nfs/dbraw/zinc/28/64/63/981286463.db2.gz XGQNAWRUBMPNOE-VIFPVBQESA-N 0 1 247.342 2.389 20 0 BEADMN CC(=O)c1cccc(NC[C@H]2CCCCN2C)n1 ZINC001348378045 981348220 /nfs/dbraw/zinc/34/82/20/981348220.db2.gz HYTSMZBVFAERJT-GFCCVEGCSA-N 0 1 247.342 2.180 20 0 BEADMN c1cc2ncc(-c3cccc4nc[nH]c43)cn2n1 ZINC001240429565 981379711 /nfs/dbraw/zinc/37/97/11/981379711.db2.gz RHSGACSFIOSIMY-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN C(=C\C1CC1)\CNCc1cn(C2CC2)cn1 ZINC001348537546 981385418 /nfs/dbraw/zinc/38/54/18/981385418.db2.gz LJARYWHNFQXTIH-UPHRSURJSA-N 0 1 217.316 2.274 20 0 BEADMN CCCCOC(=O)N1CCN(CCCC)CC1 ZINC001193687732 981412192 /nfs/dbraw/zinc/41/21/92/981412192.db2.gz ZTNNRVGNCMFLEI-UHFFFAOYSA-N 0 1 242.363 2.341 20 0 BEADMN CCCCOC(=O)N1CCN(C(C)C)[C@@H](C)C1 ZINC001193696463 981424059 /nfs/dbraw/zinc/42/40/59/981424059.db2.gz JYSGJZGODGRDLB-LBPRGKRZSA-N 0 1 242.363 2.338 20 0 BEADMN c1nn(CC2CC2)cc1-c1ccc2nn[nH]c2c1 ZINC001240513903 981438302 /nfs/dbraw/zinc/43/83/02/981438302.db2.gz FTZWXTKVAQAQRX-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN c1nn(CC2CC2)cc1-c1ccc2[nH]nnc2c1 ZINC001240513903 981438304 /nfs/dbraw/zinc/43/83/04/981438304.db2.gz FTZWXTKVAQAQRX-UHFFFAOYSA-N 0 1 239.282 2.231 20 0 BEADMN CCCCCOC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001193759351 981444754 /nfs/dbraw/zinc/44/47/54/981444754.db2.gz DSHUANSYIDFFAS-TXEJJXNPSA-N 0 1 240.347 2.092 20 0 BEADMN Cc1[nH]ncc1-c1cnc(OCC2CCC2)nc1 ZINC001240523039 981458014 /nfs/dbraw/zinc/45/80/14/981458014.db2.gz PXVJHLGXGIOGGL-UHFFFAOYSA-N 0 1 244.298 2.354 20 0 BEADMN CCN(CCc1ccccn1)Cc1ocnc1C ZINC001331531449 981487437 /nfs/dbraw/zinc/48/74/37/981487437.db2.gz SGOPHGQGNYKSMQ-UHFFFAOYSA-N 0 1 245.326 2.443 20 0 BEADMN Cc1cnccc1-c1cc2[nH]nnc2cc1F ZINC001240610572 981505274 /nfs/dbraw/zinc/50/52/74/981505274.db2.gz KHMXERROOAZOGZ-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)NCc1n[nH]c(C)c1C ZINC001349148243 981512984 /nfs/dbraw/zinc/51/29/84/981512984.db2.gz PSMUMCVHCREFCF-RYUDHWBXSA-N 0 1 249.358 2.469 20 0 BEADMN COC(=O)Nc1c(C)c(=O)[nH]n1-c1ccccc1 ZINC001193942576 981527273 /nfs/dbraw/zinc/52/72/73/981527273.db2.gz QPHKFYZEQOKYLC-UHFFFAOYSA-N 0 1 247.254 2.065 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)C1CCC1 ZINC001349513227 981569447 /nfs/dbraw/zinc/56/94/47/981569447.db2.gz JFQKYEFWFMGBJW-MRVPVSSYSA-N 0 1 208.261 2.064 20 0 BEADMN CCCCCCOC(=O)N1CCCN(C)CC1 ZINC001194155690 981580330 /nfs/dbraw/zinc/58/03/30/981580330.db2.gz DEPYVXYBBBKJAS-UHFFFAOYSA-N 0 1 242.363 2.341 20 0 BEADMN c1c2cnccc2oc1CN1CC[C@@]12CCOC2 ZINC001349564193 981582157 /nfs/dbraw/zinc/58/21/57/981582157.db2.gz MZFDLXUSVVZLDC-AWEZNQCLSA-N 0 1 244.294 2.193 20 0 BEADMN Cc1nc(CN[C@@H](C(C)C)C(C)(C)O)oc1C ZINC001194175137 981586022 /nfs/dbraw/zinc/58/60/22/981586022.db2.gz APNLOOSVIGTHAW-LBPRGKRZSA-N 0 1 240.347 2.177 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001594770256 981737568 /nfs/dbraw/zinc/73/75/68/981737568.db2.gz MULNJVGNYBQTDA-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(-c2cccc3[nH]nnc32)ccn1 ZINC001240718356 981741895 /nfs/dbraw/zinc/74/18/95/981741895.db2.gz ULSMBQWBYNEPKZ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN CCO[C@H](C)n1cc(-c2nccc(N)c2C)cn1 ZINC001240750938 981806039 /nfs/dbraw/zinc/80/60/39/981806039.db2.gz PVPYGXQGABGNDG-SNVBAGLBSA-N 0 1 246.314 2.391 20 0 BEADMN Cc1ccc(OC(=O)N(C)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001194445164 981819457 /nfs/dbraw/zinc/81/94/57/981819457.db2.gz JCNXHTFPZHVGLB-GFCCVEGCSA-N 0 1 248.326 2.130 20 0 BEADMN COC(=O)[C@H](C)c1nc2c(cc(F)cc2C)[nH]1 ZINC001250576601 981823061 /nfs/dbraw/zinc/82/30/61/981823061.db2.gz VBEPFNMMZLSMAX-SSDOTTSWSA-N 0 1 236.246 2.287 20 0 BEADMN C=Cc1cc(/C=C/N(C)C)c(OCOC)cn1 ZINC001240829715 981869079 /nfs/dbraw/zinc/86/90/79/981869079.db2.gz RZJNRWBUJBFAGJ-VOTSOKGWSA-N 0 1 234.299 2.240 20 0 BEADMN CCN(CCn1cccn1)Cc1ccc(C)o1 ZINC001203297610 981874147 /nfs/dbraw/zinc/87/41/47/981874147.db2.gz NEBRKOGWNLAGMQ-UHFFFAOYSA-N 0 1 233.315 2.307 20 0 BEADMN c1c(CN[C@H]2C=CCCC2)nn2c1CCC2 ZINC001350130667 981878770 /nfs/dbraw/zinc/87/87/70/981878770.db2.gz PUEDDGKXDDXDFI-NSHDSACASA-N 0 1 217.316 2.028 20 0 BEADMN CCCC[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)[O-] ZINC001595637250 981928212 /nfs/dbraw/zinc/92/82/12/981928212.db2.gz AKFAZTWINOSXPT-RKDXNWHRSA-N 0 1 242.344 2.437 20 0 BEADMN O=C(N=c1[nH]sc2ncccc21)OCCF ZINC001194937100 981977645 /nfs/dbraw/zinc/97/76/45/981977645.db2.gz CYORPZWKJSJMND-UHFFFAOYSA-N 0 1 241.247 2.209 20 0 BEADMN c1cnc2cccc(-c3ncc4c(n3)CNC4)c2c1 ZINC001240935587 982008564 /nfs/dbraw/zinc/00/85/64/982008564.db2.gz YHNZOGOPQMZMMH-UHFFFAOYSA-N 0 1 248.289 2.295 20 0 BEADMN CCCC[C@H](SC[C@H]1CCC[N@H+]1C)C(=O)[O-] ZINC001595654973 982042492 /nfs/dbraw/zinc/04/24/92/982042492.db2.gz GUHVEXSPXZALSV-MNOVXSKESA-N 0 1 245.388 2.457 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccc(OC)cc1 ZINC001587134915 982054740 /nfs/dbraw/zinc/05/47/40/982054740.db2.gz OPIZEPZDLJFMFC-UHFFFAOYSA-N 0 1 245.282 2.233 20 0 BEADMN CC[C@H](C)OC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001195087338 982075150 /nfs/dbraw/zinc/07/51/50/982075150.db2.gz WSWBKCLERSBUEL-YFKPBYRVSA-N 0 1 245.666 2.183 20 0 BEADMN CC[C@H](C)OC(=O)N1CC(N2CCCCC2)C1 ZINC001195107799 982086957 /nfs/dbraw/zinc/08/69/57/982086957.db2.gz ICAQRODTBNRQHR-NSHDSACASA-N 0 1 240.347 2.092 20 0 BEADMN CCCOC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC001195099093 982087227 /nfs/dbraw/zinc/08/72/27/982087227.db2.gz WVSFPBLGSQPOAJ-UHFFFAOYSA-N 0 1 249.314 2.194 20 0 BEADMN COc1nc(-c2ccccc2O)nc(C)c1F ZINC001241003173 982092129 /nfs/dbraw/zinc/09/21/29/982092129.db2.gz JKQVQYYEBDRQKY-UHFFFAOYSA-N 0 1 234.230 2.305 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1C2CCC1CC2 ZINC001587933794 982103315 /nfs/dbraw/zinc/10/33/15/982103315.db2.gz AIOGRLSHZHWMHU-UHFFFAOYSA-N 0 1 241.294 2.330 20 0 BEADMN Cc1nnc(SCCCc2cccnc2)[nH]1 ZINC001350876349 982107693 /nfs/dbraw/zinc/10/76/93/982107693.db2.gz LXOXRFIDHHBVFI-UHFFFAOYSA-N 0 1 234.328 2.233 20 0 BEADMN Cc1ccc(-c2nc(F)nc3nc[nH]c32)c(O)c1 ZINC001241028929 982124547 /nfs/dbraw/zinc/12/45/47/982124547.db2.gz ZAQVXVRQHQDLNG-UHFFFAOYSA-N 0 1 244.229 2.125 20 0 BEADMN CCCC[C@](C)(F)C(=O)Nc1n[nH]c(CC)n1 ZINC001351132935 982215623 /nfs/dbraw/zinc/21/56/23/982215623.db2.gz QDUOOCUWYLLHPM-NSHDSACASA-N 0 1 242.298 2.224 20 0 BEADMN CCCC[C@](C)(F)C(=O)Nc1nc(CC)n[nH]1 ZINC001351132935 982215631 /nfs/dbraw/zinc/21/56/31/982215631.db2.gz QDUOOCUWYLLHPM-NSHDSACASA-N 0 1 242.298 2.224 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC001594876832 982216372 /nfs/dbraw/zinc/21/63/72/982216372.db2.gz NJYSPFYKKYBWJH-PREPNJAASA-N 0 1 227.348 2.462 20 0 BEADMN CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001594881077 982234031 /nfs/dbraw/zinc/23/40/31/982234031.db2.gz MGYMNVLOPCRLMT-NNYUYHANSA-N 0 1 227.348 2.464 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1ccc(N)nc1 ZINC001351273799 982259887 /nfs/dbraw/zinc/25/98/87/982259887.db2.gz OAATYRSYVBJRRG-NSHDSACASA-N 0 1 242.326 2.218 20 0 BEADMN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1CCCC1CCC1 ZINC001195687312 982336083 /nfs/dbraw/zinc/33/60/83/982336083.db2.gz VKKFGASQLHNRJX-TUAOUCFPSA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCC1=O ZINC001203302141 982339660 /nfs/dbraw/zinc/33/96/60/982339660.db2.gz LQEPLBVREDIVNL-LBPRGKRZSA-N 0 1 217.312 2.488 20 0 BEADMN C[C@H]1CN(Cc2ccccc2)CCCC1=O ZINC001203302141 982339668 /nfs/dbraw/zinc/33/96/68/982339668.db2.gz LQEPLBVREDIVNL-LBPRGKRZSA-N 0 1 217.312 2.488 20 0 BEADMN OCC12CCC(CC1)N2Cc1cc(C2CC2)no1 ZINC001351630739 982346198 /nfs/dbraw/zinc/34/61/98/982346198.db2.gz BDRVGTQMNXLDGV-UHFFFAOYSA-N 0 1 248.326 2.041 20 0 BEADMN CC1(C)CC(CSCc2nnc[nH]2)C1 ZINC001351662735 982352130 /nfs/dbraw/zinc/35/21/30/982352130.db2.gz LLRAALIRVWZICF-UHFFFAOYSA-N 0 1 211.334 2.474 20 0 BEADMN CN(CCc1cccc(F)c1)Cc1cnoc1 ZINC001205732265 982365393 /nfs/dbraw/zinc/36/53/93/982365393.db2.gz QBNPALQQVPVSTL-UHFFFAOYSA-N 0 1 234.274 2.488 20 0 BEADMN Cc1nc2nc[nH]c2cc1-c1ccncc1F ZINC001241226411 982374425 /nfs/dbraw/zinc/37/44/25/982374425.db2.gz BMQRUCGZWZHBIK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCOc1cccc(F)c1-c1cnc(CN)nc1 ZINC001241251744 982391732 /nfs/dbraw/zinc/39/17/32/982391732.db2.gz SMJCLRUEZUJJKL-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN CC(C)CCN1N=C2c3ccccc3C[C@H]2C1=O ZINC001352084425 982461547 /nfs/dbraw/zinc/46/15/47/982461547.db2.gz NOTVQXZVYGRRHE-CYBMUJFWSA-N 0 1 242.322 2.451 20 0 BEADMN CC(C)Cc1cc(C2=CCN(C)CC2)ncn1 ZINC001241312600 982463058 /nfs/dbraw/zinc/46/30/58/982463058.db2.gz IAFNSEKGFUYGIM-UHFFFAOYSA-N 0 1 231.343 2.394 20 0 BEADMN Cc1nc(C)c(C)c(C2=CCN(C)CC2)n1 ZINC001241313320 982464637 /nfs/dbraw/zinc/46/46/37/982464637.db2.gz XYIGAJXPPWZGAK-UHFFFAOYSA-N 0 1 217.316 2.121 20 0 BEADMN CCSc1cncc(C2=CCN(C)CC2)n1 ZINC001241313339 982464939 /nfs/dbraw/zinc/46/49/39/982464939.db2.gz YUKSRTJIQPMZCQ-UHFFFAOYSA-N 0 1 235.356 2.308 20 0 BEADMN CSc1cccc(-c2cnc(CN)nc2)c1 ZINC001241315115 982469596 /nfs/dbraw/zinc/46/95/96/982469596.db2.gz BNVTWGGIWFVCIR-UHFFFAOYSA-N 0 1 231.324 2.324 20 0 BEADMN CN1CC=C(c2nccnc2C(F)F)CC1 ZINC001241318070 982476645 /nfs/dbraw/zinc/47/66/45/982476645.db2.gz WRTPBWMKEHKMFA-UHFFFAOYSA-N 0 1 225.242 2.133 20 0 BEADMN C[N@@H+]1CC=C(c2ccc3nnccc3c2)CC1 ZINC001241322196 982480939 /nfs/dbraw/zinc/48/09/39/982480939.db2.gz JVZIIQFQPHCZDH-UHFFFAOYSA-N 0 1 225.295 2.349 20 0 BEADMN COC(=O)c1cccc(F)c1C1=CCN(C)CC1 ZINC001241328100 982489496 /nfs/dbraw/zinc/48/94/96/982489496.db2.gz XHNQZFLSHMAEGT-UHFFFAOYSA-N 0 1 249.285 2.331 20 0 BEADMN Cc1ccc(-c2ncnc3c2CNC3)c(F)c1 ZINC001241351411 982506838 /nfs/dbraw/zinc/50/68/38/982506838.db2.gz OGHXLTSXZGRPGP-UHFFFAOYSA-N 0 1 229.258 2.194 20 0 BEADMN CC(C)[N@H+]1CCCC[C@H]1CSCC(=O)[O-] ZINC001588922342 982526983 /nfs/dbraw/zinc/52/69/83/982526983.db2.gz DMIQMOXQIAYQPF-JTQLQIEISA-N 0 1 231.361 2.067 20 0 BEADMN COc1ncc(C)cc1-c1cc(N)c(C)cn1 ZINC001241362979 982521018 /nfs/dbraw/zinc/52/10/18/982521018.db2.gz JMITYXWZEVMENC-UHFFFAOYSA-N 0 1 229.283 2.351 20 0 BEADMN CN(C)c1ccnc(-c2ccc(N(C)C)nc2)c1 ZINC001241368012 982531241 /nfs/dbraw/zinc/53/12/41/982531241.db2.gz GGXQBLAZKRBROV-UHFFFAOYSA-N 0 1 242.326 2.276 20 0 BEADMN CSc1ccc(NC(=O)Nc2c[nH]nn2)cc1 ZINC001197200850 982535131 /nfs/dbraw/zinc/53/51/31/982535131.db2.gz ZOIGRVIUQQLCES-UHFFFAOYSA-N 0 1 249.299 2.171 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C/C2CCCC2)c1C ZINC001352738998 982566707 /nfs/dbraw/zinc/56/67/07/982566707.db2.gz UTGUDCTYJYKPMQ-BQYQJAHWSA-N 0 1 247.342 2.389 20 0 BEADMN C[C@@H](C[N@@H+](C)Cc1cccn1C(F)F)C(=O)[O-] ZINC001589034021 982584483 /nfs/dbraw/zinc/58/44/83/982584483.db2.gz IMDHCJGBSBVWES-QMMMGPOBSA-N 0 1 246.257 2.036 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001589033981 982586089 /nfs/dbraw/zinc/58/60/89/982586089.db2.gz GISYLDKIVKNMSE-WCQYABFASA-N 0 1 247.338 2.369 20 0 BEADMN C[C@@H](C[N@@H+](C)C[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001589033849 982586362 /nfs/dbraw/zinc/58/63/62/982586362.db2.gz GISYLDKIVKNMSE-AAEUAGOBSA-N 0 1 247.338 2.369 20 0 BEADMN Cc1cccc(CN2CCc3nn(C)cc3C2)c1 ZINC001203893116 982650761 /nfs/dbraw/zinc/65/07/61/982650761.db2.gz VYUFKPKVMWRPGL-UHFFFAOYSA-N 0 1 241.338 2.287 20 0 BEADMN Cc1nocc1NC(=O)c1c(O)cccc1F ZINC001300166520 982650600 /nfs/dbraw/zinc/65/06/00/982650600.db2.gz OSOYMHPYOVOVMJ-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN CC[C@@H](O)CNc1cc(Cl)cc2[nH]ncc21 ZINC001251793584 982698734 /nfs/dbraw/zinc/69/87/34/982698734.db2.gz OOTKNTHPCYRZRW-MRVPVSSYSA-N 0 1 239.706 2.399 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC001594960474 982710169 /nfs/dbraw/zinc/71/01/69/982710169.db2.gz FVTAKEZKHAFHHI-SECBINFHSA-N 0 1 224.304 2.191 20 0 BEADMN C[C@H]1CCc2c1n[nH]c2C(=O)N[C@H]1CC=CCC1 ZINC001198461199 982735667 /nfs/dbraw/zinc/73/56/67/982735667.db2.gz BGRNVBKMCAZOLI-UWVGGRQHSA-N 0 1 245.326 2.298 20 0 BEADMN CC(C)(C)/C=C/c1ncnc2c1CNC2 ZINC001241561232 982791608 /nfs/dbraw/zinc/79/16/08/982791608.db2.gz NSJUVGHMWPDQCH-SNAWJCMRSA-N 0 1 203.289 2.139 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC001589445532 982797789 /nfs/dbraw/zinc/79/77/89/982797789.db2.gz SHEZTHCSZNSVBQ-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CN1CCC=C(c2ncc(C(F)(F)F)cn2)C1 ZINC001241565616 982805291 /nfs/dbraw/zinc/80/52/91/982805291.db2.gz LCQSYZHWSNEGKX-UHFFFAOYSA-N 0 1 243.232 2.214 20 0 BEADMN Cc1[nH]c2ncnc(C3=CCCN(C)C3)c2c1C ZINC001241565203 982805624 /nfs/dbraw/zinc/80/56/24/982805624.db2.gz HEZVYJKGTQYYJL-UHFFFAOYSA-N 0 1 242.326 2.294 20 0 BEADMN CCCc1cncnc1C1=CCCN(C)C1 ZINC001241565304 982805678 /nfs/dbraw/zinc/80/56/78/982805678.db2.gz JMEKEQKSXHQZPS-UHFFFAOYSA-N 0 1 217.316 2.148 20 0 BEADMN CCC[N@@H+](CC(C)C)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001595863214 982806724 /nfs/dbraw/zinc/80/67/24/982806724.db2.gz XBDDEAWEERQUTI-VHSXEESVSA-N 0 1 249.301 2.320 20 0 BEADMN CN1CCC=C(c2cnc(-c3ccco3)cn2)C1 ZINC001241566104 982808668 /nfs/dbraw/zinc/80/86/68/982808668.db2.gz VEWULRVHKSVNOZ-UHFFFAOYSA-N 0 1 241.294 2.456 20 0 BEADMN CC(C)c1ccc(C2=CCCN(C)C2)nn1 ZINC001241566229 982809531 /nfs/dbraw/zinc/80/95/31/982809531.db2.gz VQWIQLIVAOXNHY-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CC(C)c1ccnc(C2=CCCN(C)C2)n1 ZINC001241566837 982811854 /nfs/dbraw/zinc/81/18/54/982811854.db2.gz FPVIYBSGBRCFSF-UHFFFAOYSA-N 0 1 217.316 2.319 20 0 BEADMN CN1CCC=C(c2ccc3c(c2)OCO3)C1 ZINC001241570306 982819397 /nfs/dbraw/zinc/81/93/97/982819397.db2.gz HCOULFITYIAXLN-UHFFFAOYSA-N 0 1 217.268 2.134 20 0 BEADMN Cc1ccnc(F)c1C1=CCCN(C)C1 ZINC001241569906 982821536 /nfs/dbraw/zinc/82/15/36/982821536.db2.gz AIQJDEGIDSKWKP-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1ccc(C2=CCCN(C)C2)c(F)n1 ZINC001241570434 982821550 /nfs/dbraw/zinc/82/15/50/982821550.db2.gz KDLPKNQVHJEJBW-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN Cc1nccc(C2=CCCN(C)C2)c1F ZINC001241570984 982824289 /nfs/dbraw/zinc/82/42/89/982824289.db2.gz SLPRYAMWPNEDKJ-UHFFFAOYSA-N 0 1 206.264 2.248 20 0 BEADMN CN1CCC=C(c2cnc(OC3CCC3)nc2)C1 ZINC001241572312 982827334 /nfs/dbraw/zinc/82/73/34/982827334.db2.gz VXDBRDQSNXYTDX-UHFFFAOYSA-N 0 1 245.326 2.127 20 0 BEADMN Cc1[nH]nc2cc(-c3ccn(C)c(=O)c3)ccc12 ZINC001241638106 982875842 /nfs/dbraw/zinc/87/58/42/982875842.db2.gz JPQQAANWUAZMQF-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN CNc1ccccc1CNCc1cccnc1 ZINC001198970072 982877184 /nfs/dbraw/zinc/87/71/84/982877184.db2.gz UDEUDQQAHQWJQT-UHFFFAOYSA-N 0 1 227.311 2.413 20 0 BEADMN COc1ncncc1-c1ccc2c(c1)n[nH]c2C ZINC001241639475 982877339 /nfs/dbraw/zinc/87/73/39/982877339.db2.gz AMZNWDWVVNVXDB-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@H](C)C(=O)[O-] ZINC001589736809 982877540 /nfs/dbraw/zinc/87/75/40/982877540.db2.gz RCCPOMCUCFSQMS-SNVBAGLBSA-N 0 1 249.310 2.184 20 0 BEADMN c1coc(CNCc2cccc3n[nH]cc32)c1 ZINC001198935371 982878362 /nfs/dbraw/zinc/87/83/62/982878362.db2.gz QJKXGCXAVTVUOM-UHFFFAOYSA-N 0 1 227.267 2.446 20 0 BEADMN Cc1[nH]nc2cc(-c3cnc(F)nc3)ccc12 ZINC001241639382 982878815 /nfs/dbraw/zinc/87/88/15/982878815.db2.gz HDNHNOLDFNFUQL-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)C(C)C ZINC001595885971 982911826 /nfs/dbraw/zinc/91/18/26/982911826.db2.gz QAKFEVDEWBIEQD-UHFFFAOYSA-N 0 1 224.304 2.333 20 0 BEADMN CCC[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)C(C)C ZINC001595888582 982918162 /nfs/dbraw/zinc/91/81/62/982918162.db2.gz ORLLZCAXMMFGTR-UHFFFAOYSA-N 0 1 224.304 2.333 20 0 BEADMN COc1cnnc(-c2ccc3[nH]cnc3c2)c1 ZINC001241680222 982927049 /nfs/dbraw/zinc/92/70/49/982927049.db2.gz IEOIGIGBMFCXSP-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CN(C)c1ccc(-c2ccc3[nH]cnc3c2)nn1 ZINC001241681273 982931561 /nfs/dbraw/zinc/93/15/61/982931561.db2.gz UROPVLVDJGNMEM-UHFFFAOYSA-N 0 1 239.282 2.086 20 0 BEADMN Nc1ccc(-c2ccc3nc[nH]c3c2)nc1 ZINC001241681266 982935031 /nfs/dbraw/zinc/93/50/31/982935031.db2.gz UKHSDLZZMDKQTH-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN COCc1cnc(-c2ccc3[nH]cnc3c2)nc1 ZINC001241685905 982936773 /nfs/dbraw/zinc/93/67/73/982936773.db2.gz SPRMRCACSDWPSQ-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN Nc1cnc(-c2ccc3[nH]cnc3c2)c(F)c1 ZINC001241688031 982941997 /nfs/dbraw/zinc/94/19/97/982941997.db2.gz ICKATNQXTWPNIY-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN c1nc2cc(-c3cccn4cnnc34)ccc2[nH]1 ZINC001241696247 982952875 /nfs/dbraw/zinc/95/28/75/982952875.db2.gz DUVLJWDHPYHYPO-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN c1nc2ccc(-c3cccc4nncn43)cc2[nH]1 ZINC001241697148 982955977 /nfs/dbraw/zinc/95/59/77/982955977.db2.gz SRVCCKNJUWSBAV-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN O=c1occcc1-c1ccc2nc[nH]c2c1 ZINC001241703345 982962461 /nfs/dbraw/zinc/96/24/61/982962461.db2.gz FFEUWKGHHYPBFU-UHFFFAOYSA-N 0 1 212.208 2.183 20 0 BEADMN Cc1cc(-c2ccc3nc[nH]c3c2)cn(C)c1=O ZINC001241703587 982963909 /nfs/dbraw/zinc/96/39/09/982963909.db2.gz REGZCFYIRIPHRT-UHFFFAOYSA-N 0 1 239.278 2.237 20 0 BEADMN COc1cc(C)c(-c2cc(N)ccn2)cn1 ZINC001241750982 983031227 /nfs/dbraw/zinc/03/12/27/983031227.db2.gz VVVCMIQVTMZBFY-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN COc1cc(C)c(-c2cc3[nH]cnc3cn2)cn1 ZINC001241748929 983032923 /nfs/dbraw/zinc/03/29/23/983032923.db2.gz IVAWQRQYDGYPJC-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN Cc1cc(OCCOC2CC2)cc(C)n1 ZINC001353899403 983062929 /nfs/dbraw/zinc/06/29/29/983062929.db2.gz MHNFVAQYVLTJFW-UHFFFAOYSA-N 0 1 207.273 2.256 20 0 BEADMN Fc1ccc(-c2ccc3[nH]nnc3c2)nc1 ZINC001241807625 983065035 /nfs/dbraw/zinc/06/50/35/983065035.db2.gz NMWASHKCYQWFIO-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1ccc(-c2ccc3nn[nH]c3c2)nc1 ZINC001241807625 983065041 /nfs/dbraw/zinc/06/50/41/983065041.db2.gz NMWASHKCYQWFIO-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Cc1cnc(N(C)CCc2ccncc2)c(N)c1 ZINC000082550445 983097935 /nfs/dbraw/zinc/09/79/35/983097935.db2.gz DNLKGVCKRHCDHO-UHFFFAOYSA-N 0 1 242.326 2.046 20 0 BEADMN CN(C)Cc1ccc(-c2cnn(C3CC3)c2)nc1 ZINC001241905692 983119209 /nfs/dbraw/zinc/11/92/09/983119209.db2.gz ILGBGXYFYJHPHV-UHFFFAOYSA-N 0 1 242.326 2.342 20 0 BEADMN Fc1cccc(-c2ccc3nn[nH]c3c2)n1 ZINC001241938696 983152947 /nfs/dbraw/zinc/15/29/47/983152947.db2.gz RAWDGSFMWZGUOO-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN Fc1cccc(-c2ccc3[nH]nnc3c2)n1 ZINC001241938696 983152952 /nfs/dbraw/zinc/15/29/52/983152952.db2.gz RAWDGSFMWZGUOO-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN c1cc(-c2ccc3[nH]nnc3c2)cc2nonc12 ZINC001241940830 983153765 /nfs/dbraw/zinc/15/37/65/983153765.db2.gz QKFCTYLFKOYDKP-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN c1cc(-c2ccc3nn[nH]c3c2)cc2nonc12 ZINC001241940830 983153777 /nfs/dbraw/zinc/15/37/77/983153777.db2.gz QKFCTYLFKOYDKP-UHFFFAOYSA-N 0 1 237.222 2.161 20 0 BEADMN Fc1nccc(-c2ccc3nn[nH]c3c2)c1F ZINC001241941840 983159787 /nfs/dbraw/zinc/15/97/87/983159787.db2.gz NVZBYIXMYBKOHV-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Fc1nccc(-c2ccc3[nH]nnc3c2)c1F ZINC001241941840 983159790 /nfs/dbraw/zinc/15/97/90/983159790.db2.gz NVZBYIXMYBKOHV-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN Cc1c(F)cncc1-c1ccc2[nH]nnc2c1 ZINC001241943069 983162725 /nfs/dbraw/zinc/16/27/25/983162725.db2.gz UQQBUCKVJIWNAX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN Cc1c(F)cncc1-c1ccc2nn[nH]c2c1 ZINC001241943069 983162731 /nfs/dbraw/zinc/16/27/31/983162731.db2.gz UQQBUCKVJIWNAX-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CC[C@@H]1CCC[C@H](Nc2nccnc2CN)C1 ZINC001354120224 983163509 /nfs/dbraw/zinc/16/35/09/983163509.db2.gz PQZGTXWIJDYYQU-MNOVXSKESA-N 0 1 234.347 2.316 20 0 BEADMN C=Cc1ccccc1-c1cnc(CN)nc1 ZINC001242008426 983179233 /nfs/dbraw/zinc/17/92/33/983179233.db2.gz QGFVPUSLKAWRPP-UHFFFAOYSA-N 0 1 211.268 2.245 20 0 BEADMN OCc1cccc(N=C2CCSCC2)n1 ZINC001201333112 983190156 /nfs/dbraw/zinc/19/01/56/983190156.db2.gz NQSPNBCKARKPPA-UHFFFAOYSA-N 0 1 222.313 2.007 20 0 BEADMN CC(C)=CCC[C@@H](C)CN1CC(=O)N[C@H](C)C1 ZINC001201485820 983253695 /nfs/dbraw/zinc/25/36/95/983253695.db2.gz KNDBXLXNKZUBDJ-CHWSQXEVSA-N 0 1 238.375 2.189 20 0 BEADMN COc1ccncc1-c1cc(N)c(C)cn1 ZINC001242056101 983263116 /nfs/dbraw/zinc/26/31/16/983263116.db2.gz XYFQSQZRYODFER-UHFFFAOYSA-N 0 1 215.256 2.043 20 0 BEADMN O=c1ccc(-c2cccc3cncn32)c[nH]1 ZINC001242064649 983287013 /nfs/dbraw/zinc/28/70/13/983287013.db2.gz WWVPXLAEJHOXMU-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN O=c1ccc(-c2cccn3cncc23)c[nH]1 ZINC001242064988 983287839 /nfs/dbraw/zinc/28/78/39/983287839.db2.gz DBPRSUMJXOROKR-UHFFFAOYSA-N 0 1 211.224 2.102 20 0 BEADMN CNc1ccc(-c2cc3[nH]cnc3cn2)cn1 ZINC001242067566 983296176 /nfs/dbraw/zinc/29/61/76/983296176.db2.gz NNUYEJLEIBHSIP-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1ccc(-c2cc3[nH]nnc3cc2F)cn1 ZINC001242069273 983300401 /nfs/dbraw/zinc/30/04/01/983300401.db2.gz FQZGFEGNCGHHCE-UHFFFAOYSA-N 0 1 243.245 2.201 20 0 BEADMN CCCC[C@H](O)CNCc1nc2ccccc2o1 ZINC001252078604 983322290 /nfs/dbraw/zinc/32/22/90/983322290.db2.gz VONUAVLEWVPYLU-NSHDSACASA-N 0 1 248.326 2.469 20 0 BEADMN CCOC(=O)/C=C/CN[C@H](C)c1cnccc1C ZINC001354582669 983323401 /nfs/dbraw/zinc/32/34/01/983323401.db2.gz BQGNZCKRNVWATG-BTDICHCPSA-N 0 1 248.326 2.160 20 0 BEADMN CCC(CC)CN1CCn2nccc2C1 ZINC001201534182 983325628 /nfs/dbraw/zinc/32/56/28/983325628.db2.gz DANIGBKAVFHGAT-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Cc1cc(N)ncc1-c1cccn2cncc12 ZINC001242095183 983336706 /nfs/dbraw/zinc/33/67/06/983336706.db2.gz AFIOEBDBCQXHNZ-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN CCN1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001201580639 983340578 /nfs/dbraw/zinc/34/05/78/983340578.db2.gz IQCUPRHKUJIRBF-NSHDSACASA-N 0 1 249.358 2.206 20 0 BEADMN CCN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001201583053 983346145 /nfs/dbraw/zinc/34/61/45/983346145.db2.gz RLBTZKKPGSXFLK-SSDOTTSWSA-N 0 1 249.236 2.288 20 0 BEADMN Cc1ccccc1O[C@H](C)CNCc1cc[nH]n1 ZINC001200772512 983352957 /nfs/dbraw/zinc/35/29/57/983352957.db2.gz BNTYNSUSVYBVPO-GFCCVEGCSA-N 0 1 245.326 2.275 20 0 BEADMN COc1ccc(-c2cc3[nH]cnc3cn2)cc1O ZINC001242170945 983386783 /nfs/dbraw/zinc/38/67/83/983386783.db2.gz NJMMILHXXSLNSJ-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN Cn1cnc2ccnc(-c3ccc(F)cc3O)c21 ZINC001242215741 983410767 /nfs/dbraw/zinc/41/07/67/983410767.db2.gz ITJAKPXKVICHEY-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN CCOc1ccc(-c2ccc(F)cc2O)nn1 ZINC001242216587 983410876 /nfs/dbraw/zinc/41/08/76/983410876.db2.gz XWUPXUXBUNOBJD-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN CN(C)c1cncc(-c2ccc(F)cc2O)n1 ZINC001242215635 983411603 /nfs/dbraw/zinc/41/16/03/983411603.db2.gz CPCUFZJAEXXVBA-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN Oc1cc(F)ccc1-c1cc2nc[nH]c2cn1 ZINC001242216168 983411797 /nfs/dbraw/zinc/41/17/97/983411797.db2.gz OUNQPOKAIIDGKA-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Oc1cc(F)ccc1-c1ccc(F)nn1 ZINC001242215714 983412115 /nfs/dbraw/zinc/41/21/15/983412115.db2.gz HELRJNFPQIXZBJ-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN COC(=O)c1cccc(-c2ccc(F)cc2O)n1 ZINC001242217286 983415161 /nfs/dbraw/zinc/41/51/61/983415161.db2.gz WMKSGUZYIYNFQG-UHFFFAOYSA-N 0 1 247.225 2.380 20 0 BEADMN COc1ccnc(NCc2cncc(OC)c2)c1 ZINC001201813219 983483694 /nfs/dbraw/zinc/48/36/94/983483694.db2.gz DADIJSZIXBXQTK-UHFFFAOYSA-N 0 1 245.282 2.106 20 0 BEADMN Cc1cc2[nH]ncc2cc1-c1ccnc(C[NH3+])c1 ZINC001242282694 983502635 /nfs/dbraw/zinc/50/26/35/983502635.db2.gz HJUWJASZPYAWKJ-UHFFFAOYSA-N 0 1 238.294 2.392 20 0 BEADMN Cc1c(F)cc(-c2cnc(CN)nc2)cc1F ZINC001242287656 983513252 /nfs/dbraw/zinc/51/32/52/983513252.db2.gz PLANRNVVXBYHGO-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN Cc1c(F)cc(-c2cc3c(nn2)CNC3)cc1F ZINC001242287388 983514112 /nfs/dbraw/zinc/51/41/12/983514112.db2.gz HQMWKTFVRXSKPF-UHFFFAOYSA-N 0 1 247.248 2.333 20 0 BEADMN OCc1ccc(F)cc1-c1cccc2[nH]nnc21 ZINC001242342574 983588792 /nfs/dbraw/zinc/58/87/92/983588792.db2.gz VGWKOWPKTJOFKU-UHFFFAOYSA-N 0 1 243.241 2.256 20 0 BEADMN CC1=C(C)C[C@@](C)(C(=O)OCc2nnc[nH]2)CC1 ZINC001356203545 983591099 /nfs/dbraw/zinc/59/10/99/983591099.db2.gz OHLVUVAXZXNMCG-ZDUSSCGKSA-N 0 1 249.314 2.375 20 0 BEADMN Oc1c(F)cccc1-c1ccc(F)nn1 ZINC001242349894 983616704 /nfs/dbraw/zinc/61/67/04/983616704.db2.gz XPMKAKPDEMFFGX-UHFFFAOYSA-N 0 1 208.167 2.127 20 0 BEADMN FC(F)(F)CCN1CC[C@H]2CCCO[C@H]2C1 ZINC001202306834 983618137 /nfs/dbraw/zinc/61/81/37/983618137.db2.gz CXAXLVZEJUFYBU-ZJUUUORDSA-N 0 1 237.265 2.440 20 0 BEADMN Cc1noc2ncnc(-c3cccc(F)c3O)c12 ZINC001242350705 983619332 /nfs/dbraw/zinc/61/93/32/983619332.db2.gz SLCIJFCXYFAGPL-UHFFFAOYSA-N 0 1 245.213 2.438 20 0 BEADMN C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@@]1(C)O ZINC001202308259 983620436 /nfs/dbraw/zinc/62/04/36/983620436.db2.gz YGDFMFWYPWXGKL-DTWKUNHWSA-N 0 1 225.254 2.032 20 0 BEADMN Oc1c(F)cccc1-c1cn2ccnc2cn1 ZINC001242350920 983622173 /nfs/dbraw/zinc/62/21/73/983622173.db2.gz AHLBQCRTEHWCNX-UHFFFAOYSA-N 0 1 229.214 2.241 20 0 BEADMN c1cc2cccc(-c3cc4c(nn3)CNC4)c2[nH]1 ZINC001242361061 983650295 /nfs/dbraw/zinc/65/02/95/983650295.db2.gz YYOZJWFVTNFNOP-UHFFFAOYSA-N 0 1 236.278 2.228 20 0 BEADMN FC(F)(F)CCCN1CC[C@@]12CCOC2 ZINC001202443943 983663311 /nfs/dbraw/zinc/66/33/11/983663311.db2.gz ZTNBIFAKZNNCCW-VIFPVBQESA-N 0 1 223.238 2.194 20 0 BEADMN CC(=O)c1ccc(-c2cc(N(C)C)ccn2)cn1 ZINC001242397901 983680834 /nfs/dbraw/zinc/68/08/34/983680834.db2.gz IZAHYVUXDJVGAE-UHFFFAOYSA-N 0 1 241.294 2.412 20 0 BEADMN CCCC[C@@H](O)CNCc1ncccc1Cl ZINC001252112364 983695236 /nfs/dbraw/zinc/69/52/36/983695236.db2.gz NHOGYNKRUTZTCG-SNVBAGLBSA-N 0 1 242.750 2.376 20 0 BEADMN CC[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)[O-])C1CC1 ZINC001596295841 983718483 /nfs/dbraw/zinc/71/84/83/983718483.db2.gz RKERRIXFXGLIDA-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN Fc1cc(CN2CCCSCC2)ccn1 ZINC000859212587 983806446 /nfs/dbraw/zinc/80/64/46/983806446.db2.gz HTVOIWHKNQEVDG-UHFFFAOYSA-N 0 1 226.320 2.160 20 0 BEADMN CN(C)c1ccnc(-c2cncc(N(C)C)c2)c1 ZINC001242525274 983848018 /nfs/dbraw/zinc/84/80/18/983848018.db2.gz QSEQQNCNQIUYFK-UHFFFAOYSA-N 0 1 242.326 2.276 20 0 BEADMN CCC[C@H](O)CNc1nc2cc(OC)ccc2[nH]1 ZINC001252771275 983874331 /nfs/dbraw/zinc/87/43/31/983874331.db2.gz JJFHYTVGHOWNJB-VIFPVBQESA-N 0 1 249.314 2.144 20 0 BEADMN CCC[C@@H](O)CN1CCCC(F)(F)[C@@H](F)C1 ZINC001252778400 983881407 /nfs/dbraw/zinc/88/14/07/983881407.db2.gz KEUGZWPTOJHPHT-ZJUUUORDSA-N 0 1 239.281 2.217 20 0 BEADMN CCC[C@@H](O)CNCc1c(F)ccc(F)c1F ZINC001252799380 983895924 /nfs/dbraw/zinc/89/59/24/983895924.db2.gz UUUBKAUZWDJUHP-MRVPVSSYSA-N 0 1 247.260 2.355 20 0 BEADMN Nc1ccnc(-c2cccc3c2OCO3)c1 ZINC001242584362 983898498 /nfs/dbraw/zinc/89/84/98/983898498.db2.gz SVEWPDTYYVDZFD-UHFFFAOYSA-N 0 1 214.224 2.060 20 0 BEADMN CC1(CNc2ccc3c(n2)CCCC3)COC1 ZINC000873188473 983898765 /nfs/dbraw/zinc/89/87/65/983898765.db2.gz IIZUVZBGEDQAQW-UHFFFAOYSA-N 0 1 232.327 2.409 20 0 BEADMN c1cc2[nH]nnc2c(-c2cccc3c2OCO3)c1 ZINC001242588086 983899608 /nfs/dbraw/zinc/89/96/08/983899608.db2.gz RKLUGWBMPYQVFV-UHFFFAOYSA-N 0 1 239.234 2.354 20 0 BEADMN Cc1ncn(C)c1NC[C@@H](O)c1ccc(F)cc1 ZINC001252839095 983934946 /nfs/dbraw/zinc/93/49/46/983934946.db2.gz WEKOJWXTMMHAML-GFCCVEGCSA-N 0 1 249.289 2.013 20 0 BEADMN CN(CCF)Cc1ccccc1-n1cccn1 ZINC001137103832 983944139 /nfs/dbraw/zinc/94/41/39/983944139.db2.gz LTBLAUWYHWNTCV-UHFFFAOYSA-N 0 1 233.290 2.274 20 0 BEADMN CCCC1CCN(Cc2cc[nH]n2)CC1 ZINC001137129068 983961966 /nfs/dbraw/zinc/96/19/66/983961966.db2.gz OFPMGLPDOMGTOY-UHFFFAOYSA-N 0 1 207.321 2.422 20 0 BEADMN Cc1cccc2c(CN3CC[C@H]3C)[nH]nc21 ZINC001137141743 983967761 /nfs/dbraw/zinc/96/77/61/983967761.db2.gz HHABSJZVRGKBJU-SNVBAGLBSA-N 0 1 215.300 2.466 20 0 BEADMN Cc1cccc2c(CN3CC=CC3)[nH]nc21 ZINC001137141776 983968139 /nfs/dbraw/zinc/96/81/39/983968139.db2.gz IPIUBIKCXDYQGK-UHFFFAOYSA-N 0 1 213.284 2.243 20 0 BEADMN C=C/C=C/CC[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588721027 983971254 /nfs/dbraw/zinc/97/12/54/983971254.db2.gz LFJXXFMDGYWLMJ-RUULKOMLSA-N 0 1 223.316 2.161 20 0 BEADMN C[C@H](NC[C@H]1CCC=CO1)c1cscn1 ZINC000379945709 984039481 /nfs/dbraw/zinc/03/94/81/984039481.db2.gz DDMOWIUSCYRIID-VHSXEESVSA-N 0 1 224.329 2.486 20 0 BEADMN C/C=C(\C)c1ccc(N2CCN(C)CC2)nc1 ZINC001242758729 984116932 /nfs/dbraw/zinc/11/69/32/984116932.db2.gz QSVMNYGKNKDFLX-UUILKARUSA-N 0 1 231.343 2.257 20 0 BEADMN Cc1c(N)ccnc1-c1cc(O)ccc1F ZINC001242760951 984125423 /nfs/dbraw/zinc/12/54/23/984125423.db2.gz IQALPWFGEDQEHP-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1ccncn1 ZINC001242919148 984294616 /nfs/dbraw/zinc/29/46/16/984294616.db2.gz IHGNZRKBFKBVJK-UHFFFAOYSA-N 0 1 214.203 2.159 20 0 BEADMN C[C@H](NC(=O)c1cccc(F)c1O)c1ccc[nH]1 ZINC001435764172 984300323 /nfs/dbraw/zinc/30/03/23/984300323.db2.gz CLXHIJGNCYTAMI-QMMMGPOBSA-N 0 1 248.257 2.350 20 0 BEADMN COc1ccc(-c2cncc3nc[nH]c32)c(C)n1 ZINC001242927225 984300692 /nfs/dbraw/zinc/30/06/92/984300692.db2.gz YPLBOAOFNLYBGY-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN CCOc1ccc(F)c(-c2cnc(CN)nc2)c1 ZINC001242936737 984304545 /nfs/dbraw/zinc/30/45/45/984304545.db2.gz XRVMBYSFQWWLRA-UHFFFAOYSA-N 0 1 247.273 2.140 20 0 BEADMN c1cn2ccc(-c3cc4[nH]cnc4cn3)cc2n1 ZINC001240496695 984305802 /nfs/dbraw/zinc/30/58/02/984305802.db2.gz QPFXNIZXKCDCPN-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN COC(=O)c1c(C)cccc1-c1cn[nH]c1C ZINC001240518598 984314373 /nfs/dbraw/zinc/31/43/73/984314373.db2.gz IZCYVORXFDPROF-UHFFFAOYSA-N 0 1 230.267 2.480 20 0 BEADMN COCc1cncc(-c2cc3[nH]cnc3cn2)c1 ZINC001242951332 984314863 /nfs/dbraw/zinc/31/48/63/984314863.db2.gz SHCYSDJKWXTVJV-UHFFFAOYSA-N 0 1 240.266 2.166 20 0 BEADMN Cc1nc(-c2cnccc2Cl)nc2nc[nH]c21 ZINC001243044158 984383740 /nfs/dbraw/zinc/38/37/40/984383740.db2.gz KLUHFQBBSBSHBA-UHFFFAOYSA-N 0 1 245.673 2.328 20 0 BEADMN Oc1cc(-c2cc3[nH]cnc3cn2)ccc1F ZINC001243048630 984396641 /nfs/dbraw/zinc/39/66/41/984396641.db2.gz MODBXURNJYFHPT-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN Cc1occc1-c1nc2nc[nH]c2c(C)n1 ZINC001243058884 984430411 /nfs/dbraw/zinc/43/04/11/984430411.db2.gz FVGFYKVYYJARGU-UHFFFAOYSA-N 0 1 214.228 2.181 20 0 BEADMN O=C(CC1CC1)Nc1nc(-c2cccs2)n[nH]1 ZINC001321763768 984440417 /nfs/dbraw/zinc/44/04/17/984440417.db2.gz ACXXBUGGBLFOHL-UHFFFAOYSA-N 0 1 248.311 2.272 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)c1ccns1 ZINC001442365034 984498264 /nfs/dbraw/zinc/49/82/64/984498264.db2.gz LWJPBBUKXHTAPE-UHFFFAOYSA-N 0 1 244.279 2.272 20 0 BEADMN COc1cccc(-c2nccc3[nH]cnc32)n1 ZINC001243098273 984529016 /nfs/dbraw/zinc/52/90/16/984529016.db2.gz YOYDDSAUBCGVBZ-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN Cc1ccc(C)c(CN2CC3(CCN3C)C2)c1 ZINC001275286778 984531207 /nfs/dbraw/zinc/53/12/07/984531207.db2.gz BZCOTBIUYLCAME-UHFFFAOYSA-N 0 1 230.355 2.193 20 0 BEADMN C[C@@H]1CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001445373667 984588612 /nfs/dbraw/zinc/58/86/12/984588612.db2.gz SCJBRNGQMKCCAR-MRVPVSSYSA-N 0 1 247.273 2.184 20 0 BEADMN CCC1(NC(=O)CCc2cc(C)[nH]n2)CCC1 ZINC001445399007 984589055 /nfs/dbraw/zinc/58/90/55/984589055.db2.gz FLSYLZYYAJUDEZ-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN C[C@H](Oc1nc(Cl)nc2[nH]ncc21)C1CC1 ZINC000719031485 984598884 /nfs/dbraw/zinc/59/88/84/984598884.db2.gz GKTJPIMNNHSQGX-YFKPBYRVSA-N 0 1 238.678 2.184 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@@H+](CC1CC1)C1CCC1 ZINC001588945800 984654070 /nfs/dbraw/zinc/65/40/70/984654070.db2.gz NEGRLXGJLYJJQP-YFHOEESVSA-N 0 1 223.316 2.282 20 0 BEADMN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001588949851 984675844 /nfs/dbraw/zinc/67/58/44/984675844.db2.gz WCJNXKCCFHVYOG-OFFHKIPUSA-N 0 1 223.316 2.139 20 0 BEADMN C/C(=C/C(=O)[O-])C[N@H+]1CCC=C(c2ccco2)C1 ZINC001588949893 984676687 /nfs/dbraw/zinc/67/66/87/984676687.db2.gz XBTGZYIERNHEMC-FLIBITNWSA-N 0 1 247.294 2.400 20 0 BEADMN CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccn[nH]1 ZINC001446899404 984703566 /nfs/dbraw/zinc/70/35/66/984703566.db2.gz YBBIHJIJHXQUAW-ZDUSSCGKSA-N 0 1 249.358 2.379 20 0 BEADMN C/C=C(/C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC001446858095 984708162 /nfs/dbraw/zinc/70/81/62/984708162.db2.gz RESXTMFLHJGMIU-WMZJFQQLSA-N 0 1 247.342 2.390 20 0 BEADMN C/C(=C/C[N@@H+](CC1CC1)C1CCC1)C(=O)[O-] ZINC001588958426 984712835 /nfs/dbraw/zinc/71/28/35/984712835.db2.gz JYBYFKPWCOFUNR-YFHOEESVSA-N 0 1 223.316 2.282 20 0 BEADMN C/C=C/C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001448501347 984812179 /nfs/dbraw/zinc/81/21/79/984812179.db2.gz HNHDXRCKNIFAQS-SNAWJCMRSA-N 0 1 244.298 2.144 20 0 BEADMN Cc1cc(F)ccc1CN1CC2(CCN2C)C1 ZINC001276120705 984816108 /nfs/dbraw/zinc/81/61/08/984816108.db2.gz ONGMIRBDOYYRMT-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN Oc1ccc(-c2nccc3n[nH]nc32)c(F)c1F ZINC001243340716 984828104 /nfs/dbraw/zinc/82/81/04/984828104.db2.gz UGTJARXNBNFCMC-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN Oc1ccc(-c2ncnc3[nH]cnc32)c(F)c1F ZINC001243337919 984828632 /nfs/dbraw/zinc/82/86/32/984828632.db2.gz DGUKWMZVIYQQTL-UHFFFAOYSA-N 0 1 248.192 2.004 20 0 BEADMN Cc1cc(CN2CC3(CCN3C)C2)ccc1F ZINC001276230005 984832492 /nfs/dbraw/zinc/83/24/92/984832492.db2.gz NNWQDWDTCIGBGI-UHFFFAOYSA-N 0 1 234.318 2.024 20 0 BEADMN Oc1ccc(-c2ccc(F)nn2)c(F)c1F ZINC001243341991 984832789 /nfs/dbraw/zinc/83/27/89/984832789.db2.gz XYSFXSISQJEYIZ-UHFFFAOYSA-N 0 1 226.157 2.267 20 0 BEADMN Cn1cccc(-c2ccc(O)c(F)c2F)c1=O ZINC001243343083 984833795 /nfs/dbraw/zinc/83/37/95/984833795.db2.gz PHXWUEIQYKVQBI-UHFFFAOYSA-N 0 1 237.205 2.036 20 0 BEADMN CCCC(=O)NC[C@H]1CCCCCN1CCF ZINC001276278175 984840662 /nfs/dbraw/zinc/84/06/62/984840662.db2.gz ONHASBKYOUBDHF-GFCCVEGCSA-N 0 1 244.354 2.117 20 0 BEADMN CC/C=C(/F)C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001450049591 984857764 /nfs/dbraw/zinc/85/77/64/984857764.db2.gz GRYHWQGAWCXDRM-YCRREMRBSA-N 0 1 249.245 2.470 20 0 BEADMN CCC(CC)NC1(c2ncccn2)CC1 ZINC001257291345 984871417 /nfs/dbraw/zinc/87/14/17/984871417.db2.gz AGJNSVADSMXXKY-UHFFFAOYSA-N 0 1 205.305 2.244 20 0 BEADMN CCOc1cc(C)ccc1-c1cnc(CN)nc1 ZINC001243404571 984893681 /nfs/dbraw/zinc/89/36/81/984893681.db2.gz VASYMVZIDNYJLL-UHFFFAOYSA-N 0 1 243.310 2.309 20 0 BEADMN C=C/C=C\CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001452583011 984937909 /nfs/dbraw/zinc/93/79/09/984937909.db2.gz MTNNBTBXUIEXJH-LNYSTGEQSA-N 0 1 236.359 2.060 20 0 BEADMN Cc1cc(CCC(=O)N(C)C[C@@H]2CC2(C)C)n[nH]1 ZINC001454066092 985015922 /nfs/dbraw/zinc/01/59/22/985015922.db2.gz UYVRXQKMQZNYOW-NSHDSACASA-N 0 1 249.358 2.155 20 0 BEADMN CCCS(=O)(=O)CCN(C)[C@@H](C)C(C)(C)C ZINC000686011231 985035917 /nfs/dbraw/zinc/03/59/17/985035917.db2.gz RGLSUVOKSHGWJF-NSHDSACASA-N 0 1 249.420 2.178 20 0 BEADMN Nc1ncccc1-c1cncc2cc[nH]c21 ZINC001243474837 985032474 /nfs/dbraw/zinc/03/24/74/985032474.db2.gz SIVQHWYNRLDRFZ-UHFFFAOYSA-N 0 1 210.240 2.207 20 0 BEADMN C[C@]1(F)CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001589247010 985041467 /nfs/dbraw/zinc/04/14/67/985041467.db2.gz IHCCOJSWLUKFJW-LBPRGKRZSA-N 0 1 243.322 2.455 20 0 BEADMN c1cc([C@@H]2CN(CC3CCC3)CCO2)ccn1 ZINC001202775697 985068804 /nfs/dbraw/zinc/06/88/04/985068804.db2.gz HFYBFLNFYXYSDF-AWEZNQCLSA-N 0 1 232.327 2.255 20 0 BEADMN Oc1cccc(-c2nccc3[nH]cnc32)c1F ZINC001243543582 985077799 /nfs/dbraw/zinc/07/77/99/985077799.db2.gz YXXSWNHUSYYXBC-UHFFFAOYSA-N 0 1 229.214 2.470 20 0 BEADMN CC=CC=CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001456345231 985133747 /nfs/dbraw/zinc/13/37/47/985133747.db2.gz KDWAJXOCWPJMBG-DEQVHDEQSA-N 0 1 233.315 2.282 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1cncs1 ZINC001456445315 985144798 /nfs/dbraw/zinc/14/47/98/985144798.db2.gz JKXNMUCNABLQIH-UHFFFAOYSA-N 0 1 244.279 2.043 20 0 BEADMN CCCCC[C@H](C)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001257516713 985188448 /nfs/dbraw/zinc/18/84/48/985188448.db2.gz CPYPJSBRCPGWJL-RWMBFGLXSA-N 0 1 239.359 2.103 20 0 BEADMN CC(C)CC(=O)NCCCCc1ccnc(N)c1 ZINC001457421371 985217637 /nfs/dbraw/zinc/21/76/37/985217637.db2.gz DTYIBZVVIBTQJR-UHFFFAOYSA-N 0 1 249.358 2.149 20 0 BEADMN Cc1cc(CO)cc(-c2[nH]ccc3ncnc2-3)c1 ZINC001243698762 985234334 /nfs/dbraw/zinc/23/43/34/985234334.db2.gz PHWUJGUSLWJUQU-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN Cc1cc(CO)cc(-c2nccc3[nH]cnc32)c1 ZINC001243698762 985234343 /nfs/dbraw/zinc/23/43/43/985234343.db2.gz PHWUJGUSLWJUQU-UHFFFAOYSA-N 0 1 239.278 2.426 20 0 BEADMN c1nc2c(s1)CN([C@H]1CCCSC1)CC2 ZINC001257675598 985249433 /nfs/dbraw/zinc/24/94/33/985249433.db2.gz BRDHGJZENKNZBI-VIFPVBQESA-N 0 1 240.397 2.397 20 0 BEADMN CO[C@@H]1CC[C@@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000687189639 985254745 /nfs/dbraw/zinc/25/47/45/985254745.db2.gz OMNNZIOSFIGRBM-VXGBXAGGSA-N 0 1 243.347 2.131 20 0 BEADMN Fc1cccc2nc(NCc3nnc[nH]3)sc21 ZINC001458131595 985268695 /nfs/dbraw/zinc/26/86/95/985268695.db2.gz WRYUZCTUDZJGTO-UHFFFAOYSA-N 0 1 249.274 2.166 20 0 BEADMN Cc1cc(F)ncc1-c1nc2nc[nH]c2c(C)n1 ZINC001243761812 985299233 /nfs/dbraw/zinc/29/92/33/985299233.db2.gz DRNMJEQAMVWRCT-UHFFFAOYSA-N 0 1 243.245 2.122 20 0 BEADMN Cc1cncnc1NCc1ccc2nc[nH]c2c1 ZINC001458491592 985323143 /nfs/dbraw/zinc/32/31/43/985323143.db2.gz SHZCLFYDHZXBLW-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[Si](C)(C)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001599940458 985448392 /nfs/dbraw/zinc/44/83/92/985448392.db2.gz UWPMSVFYSDJLNA-LLVKDONJSA-N 0 1 243.423 2.441 20 0 BEADMN C[C@H]1COC[C@@H]1NCc1nc2ccccc2s1 ZINC000688048666 985535638 /nfs/dbraw/zinc/53/56/38/985535638.db2.gz OHBJUSIPGRPZIF-ONGXEEELSA-N 0 1 248.351 2.421 20 0 BEADMN Cc1cc(CNCCSC(C)(C)C)nn1C ZINC000688064006 985544567 /nfs/dbraw/zinc/54/45/67/985544567.db2.gz CSVHMJVQDHCBEX-UHFFFAOYSA-N 0 1 241.404 2.350 20 0 BEADMN Oc1ccc([C@H]2CCCN2CC2=NOCC2)cc1 ZINC001459678056 985585570 /nfs/dbraw/zinc/58/55/70/985585570.db2.gz RUMUBUHDLJJUGU-CQSZACIVSA-N 0 1 246.310 2.305 20 0 BEADMN COc1ncnc(-c2cccc3nc[nH]c32)c1C ZINC001243929129 985598202 /nfs/dbraw/zinc/59/82/02/985598202.db2.gz MFNJZFPFBVGOQH-UHFFFAOYSA-N 0 1 240.266 2.337 20 0 BEADMN C[C@H](Cc1ccco1)N1CCOC2(CC2)C1 ZINC001258199030 985599442 /nfs/dbraw/zinc/59/94/42/985599442.db2.gz LXIZJHJESJFVCP-LLVKDONJSA-N 0 1 221.300 2.075 20 0 BEADMN COc1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243927925 985599935 /nfs/dbraw/zinc/59/99/35/985599935.db2.gz QTQPSAXMQPWGQY-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CCOc1cc(-c2cccc3nc[nH]c32)ncn1 ZINC001243931195 985605619 /nfs/dbraw/zinc/60/56/19/985605619.db2.gz PUOSGNCFAUSIKA-UHFFFAOYSA-N 0 1 240.266 2.419 20 0 BEADMN O=C1NCc2cccc(-c3cccc4nc[nH]c43)c21 ZINC001243931137 985607264 /nfs/dbraw/zinc/60/72/64/985607264.db2.gz FLOVTFIATVNVRI-UHFFFAOYSA-N 0 1 249.273 2.473 20 0 BEADMN Nc1nccc(F)c1-c1cccc2nc[nH]c21 ZINC001243933379 985608996 /nfs/dbraw/zinc/60/89/96/985608996.db2.gz WAGRYOYXIWYEDH-UHFFFAOYSA-N 0 1 228.230 2.346 20 0 BEADMN CSCC[C@@H](C)NCc1ncc(Cl)cn1 ZINC001258204506 985616027 /nfs/dbraw/zinc/61/60/27/985616027.db2.gz WQXUEKUHZXSMQR-MRVPVSSYSA-N 0 1 245.779 2.361 20 0 BEADMN COc1ncncc1-c1cccc2nc[nH]c21 ZINC001243934615 985618532 /nfs/dbraw/zinc/61/85/32/985618532.db2.gz XEEWSWAXLBYQNI-UHFFFAOYSA-N 0 1 226.239 2.029 20 0 BEADMN CC(C)NCc1cn(CCCC2CCC2)nn1 ZINC000688371228 985626286 /nfs/dbraw/zinc/62/62/86/985626286.db2.gz XOCOQRCNFIZXAI-UHFFFAOYSA-N 0 1 236.363 2.356 20 0 BEADMN COc1ncc2cc[nH]c2c1C1=CNCCC1 ZINC001243949360 985633551 /nfs/dbraw/zinc/63/35/51/985633551.db2.gz CJUUBMZFBLRIDP-UHFFFAOYSA-N 0 1 229.283 2.296 20 0 BEADMN O=C1Cc2cc(F)c(C3=CNCCC3)cc2N1 ZINC001243950062 985641900 /nfs/dbraw/zinc/64/19/00/985641900.db2.gz LXZBFCXBVATQEU-UHFFFAOYSA-N 0 1 232.258 2.045 20 0 BEADMN O=C1NCc2cccc(C3=CNCCC3)c2N1 ZINC001243951158 985647382 /nfs/dbraw/zinc/64/73/82/985647382.db2.gz CENWWUGMDQCBKE-UHFFFAOYSA-N 0 1 229.283 2.046 20 0 BEADMN CCOC(=O)c1ccc(C2=CNCCC2)c(C)n1 ZINC001243951483 985655008 /nfs/dbraw/zinc/65/50/08/985655008.db2.gz ISEUKNQTNNFMJO-UHFFFAOYSA-N 0 1 246.310 2.291 20 0 BEADMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccccc2F)[C@@H]1C ZINC001594499440 985666028 /nfs/dbraw/zinc/66/60/28/985666028.db2.gz DNDCSDZYRCSGGE-LNLATYFQSA-N 0 1 237.274 2.292 20 0 BEADMN C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)[C@@H]1C ZINC001594499440 985666037 /nfs/dbraw/zinc/66/60/37/985666037.db2.gz DNDCSDZYRCSGGE-LNLATYFQSA-N 0 1 237.274 2.292 20 0 BEADMN O=C1OCc2cc(C3=CNCCC3)cc(F)c21 ZINC001243954130 985666176 /nfs/dbraw/zinc/66/61/76/985666176.db2.gz REPXUYWTQZCPPG-UHFFFAOYSA-N 0 1 233.242 2.220 20 0 BEADMN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC001594499602 985667675 /nfs/dbraw/zinc/66/76/75/985667675.db2.gz OGFVYQLZGSLPFI-HRDYMLBCSA-N 0 1 238.287 2.022 20 0 BEADMN Fc1cc(-c2cncc3nc[nH]c32)cc(F)n1 ZINC001243972238 985698578 /nfs/dbraw/zinc/69/85/78/985698578.db2.gz XIUVIZSXLSPGLB-UHFFFAOYSA-N 0 1 232.193 2.298 20 0 BEADMN COc1cc(O)ccc1-c1nccc2c1CCN2 ZINC001243982555 985714436 /nfs/dbraw/zinc/71/44/36/985714436.db2.gz LEZCNVYJHYNPAQ-UHFFFAOYSA-N 0 1 242.278 2.431 20 0 BEADMN Nc1cc(-c2c(O)cccc2Cl)ncn1 ZINC001244038597 985775031 /nfs/dbraw/zinc/77/50/31/985775031.db2.gz ZCOQYNFNBZOZBV-UHFFFAOYSA-N 0 1 221.647 2.085 20 0 BEADMN C[C@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C(=O)[O-])C[C@H]1C ZINC001594509677 985780990 /nfs/dbraw/zinc/78/09/90/985780990.db2.gz WZXORHGGNFDCHT-QNWHQSFQSA-N 0 1 239.359 2.465 20 0 BEADMN Cn1cccc(-c2cc(F)c(O)c(F)c2)c1=O ZINC001244095829 985808571 /nfs/dbraw/zinc/80/85/71/985808571.db2.gz BJAIVQZVNDLKTM-UHFFFAOYSA-N 0 1 237.205 2.036 20 0 BEADMN Oc1c(F)cc(-c2cncc3nnoc32)cc1F ZINC001244099548 985813972 /nfs/dbraw/zinc/81/39/72/985813972.db2.gz ZZHNASKSNAWYIN-UHFFFAOYSA-N 0 1 249.176 2.269 20 0 BEADMN CCOc1cnc(N=C2CCC(OC)CC2)cn1 ZINC001212875653 985835236 /nfs/dbraw/zinc/83/52/36/985835236.db2.gz SGDJBXORQQBPKG-NSHDSACASA-N 0 1 249.314 2.370 20 0 BEADMN CO[C@H]1CC=C(Nc2c(C)ncn2C)CC1 ZINC001212876747 985840249 /nfs/dbraw/zinc/84/02/49/985840249.db2.gz KCKKOOLJMWDAAH-NSHDSACASA-N 0 1 221.304 2.223 20 0 BEADMN COC(=O)CC[C@@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC001258365840 985846167 /nfs/dbraw/zinc/84/61/67/985846167.db2.gz FOGPWRMSKGMORY-GMTAPVOTSA-N 0 1 231.311 2.008 20 0 BEADMN CC/C=C/CCN1CCn2nccc2C1 ZINC001460515617 985860628 /nfs/dbraw/zinc/86/06/28/985860628.db2.gz UJEIWBVUMHHSRM-ONEGZZNKSA-N 0 1 205.305 2.055 20 0 BEADMN CCCCN1CCN(CC(C)(F)F)CC1 ZINC001460841406 985910412 /nfs/dbraw/zinc/91/04/12/985910412.db2.gz IWATZBAJJHBOPZ-UHFFFAOYSA-N 0 1 220.307 2.059 20 0 BEADMN CCC[C@H]1CCCN1Cc1nnc(CC)[nH]1 ZINC001460903051 985936151 /nfs/dbraw/zinc/93/61/51/985936151.db2.gz QQUMWUMWOJOWLM-JTQLQIEISA-N 0 1 222.336 2.132 20 0 BEADMN CCOC(=O)CC[C@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC001258489110 985952515 /nfs/dbraw/zinc/95/25/15/985952515.db2.gz MLSLMVFXTXRGQW-GRYCIOLGSA-N 0 1 245.338 2.398 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCC(=O)[C@H](C)CC1 ZINC001258622461 985989181 /nfs/dbraw/zinc/98/91/81/985989181.db2.gz NDCMPDHIHMYLLH-CHWSQXEVSA-N 0 1 246.354 2.314 20 0 BEADMN Cc1n[nH]cc1CNCc1ccc([C@@H](C)O)cc1 ZINC001461100351 986008056 /nfs/dbraw/zinc/00/80/56/986008056.db2.gz JZEXHZFNHYDAAF-LLVKDONJSA-N 0 1 245.326 2.061 20 0 BEADMN CC(=O)OC1CN([C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001258700399 986023380 /nfs/dbraw/zinc/02/33/80/986023380.db2.gz MGQQVWVHMFRAAK-PWSUYJOCSA-N 0 1 239.359 2.449 20 0 BEADMN Cc1cc(CNc2ccc3nc[nH]c3c2)n(C)n1 ZINC001461492171 986069193 /nfs/dbraw/zinc/06/91/93/986069193.db2.gz OLVZGDDWHAMYMJ-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN Cc1cc(F)c2[nH]ccc2c1-n1cncc1N ZINC001212973413 986092933 /nfs/dbraw/zinc/09/29/33/986092933.db2.gz WRMJYVCKWAGHSP-UHFFFAOYSA-N 0 1 230.246 2.383 20 0 BEADMN Cc1cc(C)c(/C=C/CN[C@@H]2CNOC2)c(C)c1 ZINC001579571730 986095953 /nfs/dbraw/zinc/09/59/53/986095953.db2.gz KPMUKVBIPZIKNJ-ISZGNANSSA-N 0 1 246.354 2.118 20 0 BEADMN CC[C@@H](C)C[C@H](CC)N1CC(OC(C)=O)C1 ZINC001258795646 986228704 /nfs/dbraw/zinc/22/87/04/986228704.db2.gz SLZFSKBXBHJBFQ-PWSUYJOCSA-N 0 1 227.348 2.449 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)N1CC(OC(C)=O)C1 ZINC001258795647 986231516 /nfs/dbraw/zinc/23/15/16/986231516.db2.gz SLZFSKBXBHJBFQ-ZYHUDNBSSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1cc([C@H](C)NC[C@H]2CCC=CO2)no1 ZINC000381476022 986301859 /nfs/dbraw/zinc/30/18/59/986301859.db2.gz QTKXQHRSYOSKTL-WDEREUQCSA-N 0 1 222.288 2.326 20 0 BEADMN Cc1c(F)cncc1-c1cc2[nH]cnc2cn1 ZINC001244830516 986367057 /nfs/dbraw/zinc/36/70/57/986367057.db2.gz YQKYFYIKFMAAHK-UHFFFAOYSA-N 0 1 228.230 2.467 20 0 BEADMN CCc1ccccc1CN1CC(C)(C(=O)OC)C1 ZINC001462371836 986367554 /nfs/dbraw/zinc/36/75/54/986367554.db2.gz GBMDQDNCUNYYMI-UHFFFAOYSA-N 0 1 247.338 2.244 20 0 BEADMN Cc1cnc(-c2cncc(F)c2C)cc1N ZINC001244831703 986371890 /nfs/dbraw/zinc/37/18/90/986371890.db2.gz DSEVCWATEWCWJW-UHFFFAOYSA-N 0 1 217.247 2.482 20 0 BEADMN Fc1cccnc1CNCCc1ccoc1 ZINC001462445038 986391280 /nfs/dbraw/zinc/39/12/80/986391280.db2.gz MKXLTLYLXHVLKT-UHFFFAOYSA-N 0 1 220.247 2.146 20 0 BEADMN Cc1n[nH]c2ccc(NC[C@@H](O)C(C)C)cc12 ZINC001253771051 986394839 /nfs/dbraw/zinc/39/48/39/986394839.db2.gz DNWIHBZRHLIVMD-CYBMUJFWSA-N 0 1 233.315 2.300 20 0 BEADMN CN(C)Cc1cccc(-c2cccnn2)c1F ZINC001244863033 986404034 /nfs/dbraw/zinc/40/40/34/986404034.db2.gz HATZGLARQGDASO-UHFFFAOYSA-N 0 1 231.274 2.344 20 0 BEADMN CSc1ncc(C)cc1-c1cnc(CN)nc1 ZINC001244880964 986414730 /nfs/dbraw/zinc/41/47/30/986414730.db2.gz KZUHFZGZEPIWNV-UHFFFAOYSA-N 0 1 246.339 2.028 20 0 BEADMN C[C@H]1CN(Cc2cccn2C(F)F)CC[C@@H]1O ZINC001462132177 986452940 /nfs/dbraw/zinc/45/29/40/986452940.db2.gz FJPPRDOSSWAMRC-ONGXEEELSA-N 0 1 244.285 2.086 20 0 BEADMN CCn1ccc(CN(C)CC2CCC2)n1 ZINC001462632070 986468922 /nfs/dbraw/zinc/46/89/22/986468922.db2.gz AWPDPWXJNWDWML-UHFFFAOYSA-N 0 1 207.321 2.135 20 0 BEADMN Clc1cncc(CN[C@H]2CCOC2)c1Cl ZINC001462661262 986485385 /nfs/dbraw/zinc/48/53/85/986485385.db2.gz CRBZJQWBNMKITG-QMMMGPOBSA-N 0 1 247.125 2.267 20 0 BEADMN CNc1cc(-c2nccc3[nH]cnc32)ccn1 ZINC001244971023 986545567 /nfs/dbraw/zinc/54/55/67/986545567.db2.gz BWGILAKFQTVTQW-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CNc1cc(-c2[nH]ccc3ncnc2-3)ccn1 ZINC001244971023 986545584 /nfs/dbraw/zinc/54/55/84/986545584.db2.gz BWGILAKFQTVTQW-UHFFFAOYSA-N 0 1 225.255 2.062 20 0 BEADMN CCNCc1nc(C)c(Br)s1 ZINC000642845970 986577740 /nfs/dbraw/zinc/57/77/40/986577740.db2.gz SHORHTRDKPEXTK-UHFFFAOYSA-N 0 1 235.150 2.324 20 0 BEADMN COc1c(O)cccc1-c1cc2[nH]cnc2cn1 ZINC001244985610 986579318 /nfs/dbraw/zinc/57/93/18/986579318.db2.gz DZSANJVLHIILJR-UHFFFAOYSA-N 0 1 241.250 2.339 20 0 BEADMN C[C@@H]1CC[C@H](NCc2ccon2)CS1 ZINC000689414897 986589155 /nfs/dbraw/zinc/58/91/55/986589155.db2.gz XQCWXIYBFFPBFM-SCZZXKLOSA-N 0 1 212.318 2.048 20 0 BEADMN CC[C@H](CC(F)F)C(=O)NCc1cn[nH]c1C ZINC001464067667 986603188 /nfs/dbraw/zinc/60/31/88/986603188.db2.gz CWFJXTHVOQJZGS-MRVPVSSYSA-N 0 1 245.273 2.016 20 0 BEADMN O=C(Nc1cnoc1)[C@@H]1CCCN1C1CCCC1 ZINC001464740569 986658182 /nfs/dbraw/zinc/65/81/82/986658182.db2.gz MIOSVHQPUDDYIM-LBPRGKRZSA-N 0 1 249.314 2.020 20 0 BEADMN Cc1ccncc1NC(=O)c1cccc(F)c1O ZINC001464914310 986676876 /nfs/dbraw/zinc/67/68/76/986676876.db2.gz DLYVSCAGOGAUAI-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN COc1ccc(F)c(NC(=O)c2[nH]cnc2C)c1 ZINC001465794460 986744512 /nfs/dbraw/zinc/74/45/12/986744512.db2.gz IRTXVDDJUIZYLW-UHFFFAOYSA-N 0 1 249.245 2.118 20 0 BEADMN C[C@@H]1CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CCC1=O ZINC001254944454 986755724 /nfs/dbraw/zinc/75/57/24/986755724.db2.gz BNJXILGMXDGVFM-WOPDTQHZSA-N 0 1 249.354 2.045 20 0 BEADMN O=C1C[C@@H]2CC(N3CCn4cccc4C3)C[C@H]2C1 ZINC001254954132 986759586 /nfs/dbraw/zinc/75/95/86/986759586.db2.gz OGVHKBDZINZWGX-RYUDHWBXSA-N 0 1 244.338 2.061 20 0 BEADMN Cc1cc(C)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)[nH]1 ZINC001137322494 986770540 /nfs/dbraw/zinc/77/05/40/986770540.db2.gz GSSALPRQZXTHIK-SRVKXCTJSA-N 0 1 222.307 2.421 20 0 BEADMN Fc1cc2[nH]cnc2cc1-c1cc[nH]n1 ZINC001245312635 986772686 /nfs/dbraw/zinc/77/26/86/986772686.db2.gz CVBXKJPBFGUIIG-UHFFFAOYSA-N 0 1 202.192 2.092 20 0 BEADMN CSCCN(C)Cc1n[nH]c2ccccc21 ZINC001137352478 986820351 /nfs/dbraw/zinc/82/03/51/986820351.db2.gz ZQVCCKFRTKKFNW-UHFFFAOYSA-N 0 1 235.356 2.358 20 0 BEADMN CN1CC2(C1)CN(Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001137380368 986867710 /nfs/dbraw/zinc/86/77/10/986867710.db2.gz IZMNLJIFBPCQGY-UHFFFAOYSA-N 0 1 247.386 2.060 20 0 BEADMN C[C@@H]1C[C@@H](F)CN1Cc1c[nH]c2ncccc12 ZINC001137396501 986875111 /nfs/dbraw/zinc/87/51/11/986875111.db2.gz KKWPJNJRYYHJOB-MWLCHTKSSA-N 0 1 233.290 2.495 20 0 BEADMN CCCC[C@H](C)N1CCc2c(ncn2C)C1 ZINC001255333892 986932472 /nfs/dbraw/zinc/93/24/72/986932472.db2.gz ZKQJOLXIXFLZHG-NSHDSACASA-N 0 1 221.348 2.357 20 0 BEADMN Nc1ncc(-c2nccc3[nH]cnc32)cc1Cl ZINC001245559640 986950551 /nfs/dbraw/zinc/95/05/51/986950551.db2.gz DXXYHQBYHCWUAP-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN Nc1ncc(-c2[nH]ccc3ncnc2-3)cc1Cl ZINC001245559640 986950555 /nfs/dbraw/zinc/95/05/55/986950555.db2.gz DXXYHQBYHCWUAP-UHFFFAOYSA-N 0 1 245.673 2.256 20 0 BEADMN CN1CC[C@@H](N2CCCC[C@H]2C(F)(F)F)C1 ZINC001255435449 986956343 /nfs/dbraw/zinc/95/63/43/986956343.db2.gz FYIVVGTUCQZBMX-ZJUUUORDSA-N 0 1 236.281 2.107 20 0 BEADMN c1cc2cccc(-c3ncc4c(n3)CNC4)c2o1 ZINC001245611763 986994758 /nfs/dbraw/zinc/99/47/58/986994758.db2.gz JQMFSSSHFAWYGX-UHFFFAOYSA-N 0 1 237.262 2.493 20 0 BEADMN Cc1cnc(-c2c(O)cccc2F)c(N)c1 ZINC001245652415 987016173 /nfs/dbraw/zinc/01/61/73/987016173.db2.gz DDOKRNMOHJCDFD-UHFFFAOYSA-N 0 1 218.231 2.484 20 0 BEADMN Nc1cccc(-c2c(O)cccc2F)n1 ZINC001245652195 987021226 /nfs/dbraw/zinc/02/12/26/987021226.db2.gz UBKIBGFBZMAHCX-UHFFFAOYSA-N 0 1 204.204 2.176 20 0 BEADMN CCOc1nccc(-c2c(O)cccc2F)n1 ZINC001245655044 987033515 /nfs/dbraw/zinc/03/35/15/987033515.db2.gz UXRYZOPGTWWPEH-UHFFFAOYSA-N 0 1 234.230 2.387 20 0 BEADMN Cn1cnc2cnc(-c3c(O)cccc3F)cc21 ZINC001245655008 987035076 /nfs/dbraw/zinc/03/50/76/987035076.db2.gz UKCLFHARQUDROX-UHFFFAOYSA-N 0 1 243.241 2.480 20 0 BEADMN CN(C)c1nccc(-c2c(O)cccc2F)n1 ZINC001245655921 987037130 /nfs/dbraw/zinc/03/71/30/987037130.db2.gz ZYTUSOSUYNCJQC-UHFFFAOYSA-N 0 1 233.246 2.054 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](Cc1cccc(O)c1)C1CCC1 ZINC001589487239 987045204 /nfs/dbraw/zinc/04/52/04/987045204.db2.gz VSYOVZXBGBHOOG-SNVBAGLBSA-N 0 1 249.310 2.220 20 0 BEADMN Cc1c(F)ccc(-c2cnc(CN)nc2)c1F ZINC001245692046 987062107 /nfs/dbraw/zinc/06/21/07/987062107.db2.gz NBDFUZXZYWZJJK-UHFFFAOYSA-N 0 1 235.237 2.189 20 0 BEADMN CSc1ccc(F)c(-c2cnc(CN)nc2)c1 ZINC001245748012 987072900 /nfs/dbraw/zinc/07/29/00/987072900.db2.gz HBBJNCUWOUNXEE-UHFFFAOYSA-N 0 1 249.314 2.463 20 0 BEADMN Nc1cnc(-c2ccc3cncn3c2)c(F)c1 ZINC001245894186 987099387 /nfs/dbraw/zinc/09/93/87/987099387.db2.gz GOVPGUHMAVSCTH-UHFFFAOYSA-N 0 1 228.230 2.118 20 0 BEADMN C=Cc1cnc(-c2ccc3cncn3c2)nc1 ZINC001245893900 987102491 /nfs/dbraw/zinc/10/24/91/987102491.db2.gz DHZNYSJHWHDERB-UHFFFAOYSA-N 0 1 222.251 2.434 20 0 BEADMN c1cc2cnc(-c3ccc4cncn4c3)nc2[nH]1 ZINC001245893511 987102967 /nfs/dbraw/zinc/10/29/67/987102967.db2.gz BQYTYOPYSAMCKA-UHFFFAOYSA-N 0 1 235.250 2.224 20 0 BEADMN Cc1ccc(-c2ccc3cncn3c2)nc1N ZINC001245893989 987103389 /nfs/dbraw/zinc/10/33/89/987103389.db2.gz FKTLCKFMRGJBFJ-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN Cc1cnc(-c2ccc3cncn3c2)c(N)c1 ZINC001245893540 987103478 /nfs/dbraw/zinc/10/34/78/987103478.db2.gz ANMRGESRWYJNOD-UHFFFAOYSA-N 0 1 224.267 2.287 20 0 BEADMN Cn1ccc2nc(-c3ccc4cncn4c3)cnc21 ZINC001245895993 987105255 /nfs/dbraw/zinc/10/52/55/987105255.db2.gz GSCRNQMNDCZWTK-UHFFFAOYSA-N 0 1 249.277 2.283 20 0 BEADMN c1nc2c(nccc2-c2ccc3cncn3c2)[nH]1 ZINC001245895778 987106376 /nfs/dbraw/zinc/10/63/76/987106376.db2.gz CFJGGORBYRSGLK-UHFFFAOYSA-N 0 1 235.250 2.273 20 0 BEADMN CCn1cccc(-c2ccc3cncn3c2)c1=O ZINC001245896070 987107343 /nfs/dbraw/zinc/10/73/43/987107343.db2.gz IPRZKWHCWIPKAC-UHFFFAOYSA-N 0 1 239.278 2.183 20 0 BEADMN c1ncn2cc(-c3cccn4cnnc34)ccc12 ZINC001245895795 987109223 /nfs/dbraw/zinc/10/92/23/987109223.db2.gz DEKAPICGPTZBAT-UHFFFAOYSA-N 0 1 235.250 2.044 20 0 BEADMN CCC(=O)CC[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC001594695623 987116558 /nfs/dbraw/zinc/11/65/58/987116558.db2.gz JVDJGMUDLLZAFR-UHFFFAOYSA-N 0 1 241.331 2.075 20 0 BEADMN CCc1ccnc(-c2ccc3cncn3c2)n1 ZINC001245897017 987120139 /nfs/dbraw/zinc/12/01/39/987120139.db2.gz YUJZKSSKNMCVSJ-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN CCC(=O)CCC[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001594696414 987121112 /nfs/dbraw/zinc/12/11/12/987121112.db2.gz QPGPSTOSLVEKIX-GFCCVEGCSA-N 0 1 241.331 2.075 20 0 BEADMN Cc1ncc(-c2ccc3cncn3c2)nc1C ZINC001245896343 987123799 /nfs/dbraw/zinc/12/37/99/987123799.db2.gz PICGVJXPMLEYTO-UHFFFAOYSA-N 0 1 224.267 2.408 20 0 BEADMN CCc1cc(-c2ccc3cncn3c2)ncn1 ZINC001245898153 987127864 /nfs/dbraw/zinc/12/78/64/987127864.db2.gz MIMLGTWSBQUACH-UHFFFAOYSA-N 0 1 224.267 2.354 20 0 BEADMN Cc1ccc(-n2[nH]c(C(C)C)cc2=O)cn1 ZINC001245917770 987132480 /nfs/dbraw/zinc/13/24/80/987132480.db2.gz QCDFZLYLQMEURN-UHFFFAOYSA-N 0 1 217.272 2.405 20 0 BEADMN CCc1ncc(CNC(=O)[C@@H]2CCCC2(C)C)[nH]1 ZINC001472021446 987156794 /nfs/dbraw/zinc/15/67/94/987156794.db2.gz WJPVQBAKRKRFKG-NSHDSACASA-N 0 1 249.358 2.415 20 0 BEADMN COCCN1N=C(c2ccc(C)cc2)CC1=O ZINC001245919897 987157997 /nfs/dbraw/zinc/15/79/97/987157997.db2.gz VXKRQMWABIUXMK-UHFFFAOYSA-N 0 1 232.283 2.211 20 0 BEADMN O=c1cc(C2CCC2)[nH]n1CC(F)(F)F ZINC001245926561 987179454 /nfs/dbraw/zinc/17/94/54/987179454.db2.gz XRGPKFFZNQAJIY-UHFFFAOYSA-N 0 1 220.194 2.419 20 0 BEADMN CCCCc1cc(=O)n(Cc2ccccn2)[nH]1 ZINC001245926916 987183501 /nfs/dbraw/zinc/18/35/01/987183501.db2.gz NVXCTKNJINYDQC-UHFFFAOYSA-N 0 1 231.299 2.375 20 0 BEADMN COc1ccc(F)c(-n2[nH]c(C)cc2=O)c1 ZINC001245928356 987184890 /nfs/dbraw/zinc/18/48/90/987184890.db2.gz WAIQQLVXRXYSLA-UHFFFAOYSA-N 0 1 222.219 2.034 20 0 BEADMN Cc1cc(=O)n(-c2c(F)cc(F)cc2F)[nH]1 ZINC001245927575 987190076 /nfs/dbraw/zinc/19/00/76/987190076.db2.gz BHTLLWSLMYUYJW-UHFFFAOYSA-N 0 1 228.173 2.304 20 0 BEADMN CC(C)(C)c1cc(=O)n(-c2ccc(F)nc2)[nH]1 ZINC001245929098 987192901 /nfs/dbraw/zinc/19/29/01/987192901.db2.gz DARCWSMFSMJNHG-UHFFFAOYSA-N 0 1 235.262 2.410 20 0 BEADMN CC(C)(C)Cc1cc(=O)n(Cc2cnccn2)[nH]1 ZINC001245933469 987198385 /nfs/dbraw/zinc/19/83/85/987198385.db2.gz VAPNMKNIRQYCHM-UHFFFAOYSA-N 0 1 246.314 2.016 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@@H](C)Cc1ccccn1 ZINC001256421176 987214793 /nfs/dbraw/zinc/21/47/93/987214793.db2.gz IMDUPXCYCVERFR-SWLSCSKDSA-N 0 1 246.354 2.456 20 0 BEADMN O=C1CC(c2ccc(O)cc2)=NN1CC1CC1 ZINC001245942642 987218471 /nfs/dbraw/zinc/21/84/71/987218471.db2.gz YSUIUUQDDBFVBK-UHFFFAOYSA-N 0 1 230.267 2.371 20 0 BEADMN Fc1cc(SCc2nn[nH]n2)ccc1Cl ZINC001473056555 987322210 /nfs/dbraw/zinc/32/22/10/987322210.db2.gz XZMHICDBNOXSII-UHFFFAOYSA-N 0 1 244.682 2.285 20 0 BEADMN c1nnc(CSc2nc3ncccc3s2)[nH]1 ZINC001473073695 987325033 /nfs/dbraw/zinc/32/50/33/987325033.db2.gz RHLZSYMPBAWGNS-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN CO[C@H](CNCc1cnccn1)C1CCCCC1 ZINC000695120037 987329804 /nfs/dbraw/zinc/32/98/04/987329804.db2.gz PKHUAJKXHCZNBH-CQSZACIVSA-N 0 1 249.358 2.162 20 0 BEADMN Cc1ccc(C[C@H](C)N(C)Cc2nnc[nH]2)cc1 ZINC001473177312 987356595 /nfs/dbraw/zinc/35/65/95/987356595.db2.gz BTSRHGMZTNOJDW-LBPRGKRZSA-N 0 1 244.342 2.176 20 0 BEADMN CC[C@@H](NCC1CC=CC1)c1noc(C)n1 ZINC001473367793 987406174 /nfs/dbraw/zinc/40/61/74/987406174.db2.gz CFWYTKYBRDHRGP-LLVKDONJSA-N 0 1 221.304 2.385 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N1CC(C)(C)C1(C)C ZINC001116211576 987482155 /nfs/dbraw/zinc/48/21/55/987482155.db2.gz KNRKTMUGPPHWJI-JTQLQIEISA-N 0 1 240.391 2.410 20 0 BEADMN CCc1nc([C@H](C)N2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001473614562 987499778 /nfs/dbraw/zinc/49/97/78/987499778.db2.gz DAVJFKJGUBAUNP-HBNTYKKESA-N 0 1 234.347 2.303 20 0 BEADMN CCc1nc([C@@H](C)N2C[C@H]3CCCC[C@H]32)n[nH]1 ZINC001473614552 987500754 /nfs/dbraw/zinc/50/07/54/987500754.db2.gz DAVJFKJGUBAUNP-GMTAPVOTSA-N 0 1 234.347 2.303 20 0 BEADMN FC(F)(F)CCCCN1CCn2nccc2C1 ZINC001473670540 987524882 /nfs/dbraw/zinc/52/48/82/987524882.db2.gz KKXYEGWUJBFBTE-UHFFFAOYSA-N 0 1 247.264 2.431 20 0 BEADMN CCC[C@H](C(=O)NCCN1CC=CC1)C(C)C ZINC001116417225 987561566 /nfs/dbraw/zinc/56/15/66/987561566.db2.gz FAUFADYZSFPTOZ-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CCc1[nH]c(C[N@@H+](C)C(C)C)cc1C(=O)[O-] ZINC001597380458 987574386 /nfs/dbraw/zinc/57/43/86/987574386.db2.gz LSRGDWCDARIFMQ-UHFFFAOYSA-N 0 1 224.304 2.116 20 0 BEADMN CCC[C@@H](C)N1CCN(CC(C)(F)F)CC1 ZINC001473828627 987575117 /nfs/dbraw/zinc/57/51/17/987575117.db2.gz DDUAVIBTEHXADG-LLVKDONJSA-N 0 1 234.334 2.448 20 0 BEADMN COc1cc(CN2CC[C@H](OC)C2)ccc1F ZINC001116442886 987579790 /nfs/dbraw/zinc/57/97/90/987579790.db2.gz VPRJDNWCFZVMIW-NSHDSACASA-N 0 1 239.290 2.055 20 0 BEADMN CSCC[C@H](C)[N@@H+](C)Cc1cc(C)n[nH]1 ZINC001116445227 987581425 /nfs/dbraw/zinc/58/14/25/987581425.db2.gz IQARCOOVQMFDLT-JTQLQIEISA-N 0 1 227.377 2.292 20 0 BEADMN CSCC[C@H](C)N(C)Cc1cc(C)n[nH]1 ZINC001116445227 987581428 /nfs/dbraw/zinc/58/14/28/987581428.db2.gz IQARCOOVQMFDLT-JTQLQIEISA-N 0 1 227.377 2.292 20 0 BEADMN CCc1[nH]c(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC001597384340 987588363 /nfs/dbraw/zinc/58/83/63/987588363.db2.gz JWEVCKBLRSQRCD-UWVGGRQHSA-N 0 1 248.326 2.117 20 0 BEADMN COC(=O)CN1CCC[C@H](C2CCCC2)C1 ZINC001473888238 987601896 /nfs/dbraw/zinc/60/18/96/987601896.db2.gz UXDHPFZAVYPUDY-LBPRGKRZSA-N 0 1 225.332 2.062 20 0 BEADMN c1ncc(CN2CCCC[C@@]23CCOC3)s1 ZINC001473895432 987602799 /nfs/dbraw/zinc/60/27/99/987602799.db2.gz JWJPLPCKVMPLST-LBPRGKRZSA-N 0 1 238.356 2.288 20 0 BEADMN Cc1c(C(=O)N(C)CC2CC2)ccc2cncn21 ZINC001116530885 987619544 /nfs/dbraw/zinc/61/95/44/987619544.db2.gz QOCDBCJNTWAZTI-UHFFFAOYSA-N 0 1 243.310 2.125 20 0 BEADMN Cc1ccc([C@H](O)CNCc2ncccc2C)o1 ZINC001116530609 987619597 /nfs/dbraw/zinc/61/95/97/987619597.db2.gz UBKDBMFLGGFBIQ-CYBMUJFWSA-N 0 1 246.310 2.115 20 0 BEADMN CC(C)OC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC001116541327 987621833 /nfs/dbraw/zinc/62/18/33/987621833.db2.gz FDXGSZVDFSKJFK-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN Cn1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC001474009806 987630198 /nfs/dbraw/zinc/63/01/98/987630198.db2.gz HRUGNYLQOHRKMG-DZGCQCFKSA-N 0 1 241.338 2.141 20 0 BEADMN Cn1ccnc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC001474030065 987632921 /nfs/dbraw/zinc/63/29/21/987632921.db2.gz SGQSHWKDEPRZMR-CHWSQXEVSA-N 0 1 233.359 2.479 20 0 BEADMN CC[C@H]1CC[C@@H](NC2(C(F)(F)F)CNC2)C1 ZINC001246252764 987651747 /nfs/dbraw/zinc/65/17/47/987651747.db2.gz INBMFSNCBMBDIU-DTWKUNHWSA-N 0 1 236.281 2.059 20 0 BEADMN c1cn(-c2ccccc2)nc1NCc1cnc[nH]1 ZINC001474219065 987662278 /nfs/dbraw/zinc/66/22/78/987662278.db2.gz VNLSWKIEKPSYOW-UHFFFAOYSA-N 0 1 239.282 2.208 20 0 BEADMN Cc1cccc(NCCNCc2cnsc2)n1 ZINC001474277455 987673882 /nfs/dbraw/zinc/67/38/82/987673882.db2.gz JSYKBZNNZDTIHD-UHFFFAOYSA-N 0 1 248.355 2.048 20 0 BEADMN Cn1cnc(CNC/C=C\c2ccc(F)cc2)c1 ZINC001474294837 987679485 /nfs/dbraw/zinc/67/94/85/987679485.db2.gz VGHNJQMPWPHNMX-IHWYPQMZSA-N 0 1 245.301 2.362 20 0 BEADMN COC(=O)N1CCN(CCCCC(C)C)CC1 ZINC001474327975 987692338 /nfs/dbraw/zinc/69/23/38/987692338.db2.gz LYYYNHSXWYGDKM-UHFFFAOYSA-N 0 1 242.363 2.197 20 0 BEADMN Cc1cc(CN(C)Cc2ccc(C)cn2)n[nH]1 ZINC001116755485 987694928 /nfs/dbraw/zinc/69/49/28/987694928.db2.gz KHGNBMQTAZWLLB-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)CC2)[nH]n1 ZINC001116762318 987699446 /nfs/dbraw/zinc/69/94/46/987699446.db2.gz KDESQNMPTKJEMG-SNVBAGLBSA-N 0 1 225.361 2.046 20 0 BEADMN COc1nc(CN2CCCCC2)ccc1C ZINC001474362788 987700532 /nfs/dbraw/zinc/70/05/32/987700532.db2.gz XFUAEOZLCXIKFH-UHFFFAOYSA-N 0 1 220.316 2.385 20 0 BEADMN CCCn1cc(CN2CC(C)C2)c(C)n1 ZINC001474489232 987737041 /nfs/dbraw/zinc/73/70/41/987737041.db2.gz VHOXJUDMEXRXSL-UHFFFAOYSA-N 0 1 207.321 2.053 20 0 BEADMN Cc1ncoc1CNCC1(Br)CC1 ZINC001474734270 987814126 /nfs/dbraw/zinc/81/41/26/987814126.db2.gz ONRHTXORAKABEE-UHFFFAOYSA-N 0 1 245.120 2.000 20 0 BEADMN c1snnc1CNC[C@@H]1C[C@H]1C1CCCC1 ZINC001474754910 987818265 /nfs/dbraw/zinc/81/82/65/987818265.db2.gz FAEGALPGDRVSFP-JQWIXIFHSA-N 0 1 237.372 2.454 20 0 BEADMN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)[nH]n1 ZINC001117641929 987848907 /nfs/dbraw/zinc/84/89/07/987848907.db2.gz OZFVSMPPDCOHQL-GFCCVEGCSA-N 0 1 219.332 2.339 20 0 BEADMN COc1cccc2c1[C@H](C(=O)NOC(C)C)CC2 ZINC001117796114 987922560 /nfs/dbraw/zinc/92/25/60/987922560.db2.gz ANDUOZCLABVMLQ-LLVKDONJSA-N 0 1 249.310 2.181 20 0 BEADMN Cc1nnc(SCc2ccncc2Cl)[nH]1 ZINC001321486103 987925912 /nfs/dbraw/zinc/92/59/12/987925912.db2.gz SFMUMAYTEUTGTD-UHFFFAOYSA-N 0 1 240.719 2.454 20 0 BEADMN CC(C)(C)[C@@H]1CSCC[N@H+]1CCCC(=O)[O-] ZINC001589734240 987978360 /nfs/dbraw/zinc/97/83/60/987978360.db2.gz FQRMEHHHHTXQMD-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN Cc1nnc(-c2ccc3cncn3c2C)o1 ZINC001322108803 988115493 /nfs/dbraw/zinc/11/54/93/988115493.db2.gz BESZRDFJSFXETF-UHFFFAOYSA-N 0 1 214.228 2.001 20 0 BEADMN CCN(Cc1cc(C(C)=O)no1)C(C)(C)C ZINC001118368774 988254721 /nfs/dbraw/zinc/25/47/21/988254721.db2.gz RIGHGPKGJFLNCX-UHFFFAOYSA-N 0 1 224.304 2.498 20 0 BEADMN CC(C)(C)CCCC(=O)OCc1nnc[nH]1 ZINC001118450172 988356100 /nfs/dbraw/zinc/35/61/00/988356100.db2.gz MMCNWRQCFWHCIC-UHFFFAOYSA-N 0 1 225.292 2.064 20 0 BEADMN CS[C@H]1CC[C@@H](N(C)Cc2cn(C)cn2)C1 ZINC001118496148 988393269 /nfs/dbraw/zinc/39/32/69/988393269.db2.gz PBLVJSBRHVWHAR-NEPJUHHUSA-N 0 1 239.388 2.136 20 0 BEADMN Cc1cc(NC(=O)[C@@H](C)C(F)(F)F)cc(C)n1 ZINC001323080545 988444358 /nfs/dbraw/zinc/44/43/58/988444358.db2.gz VBTGPSJPQNTZKU-MRVPVSSYSA-N 0 1 246.232 2.257 20 0 BEADMN CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H](N)[C@@H](F)C1 ZINC001246822268 988507521 /nfs/dbraw/zinc/50/75/21/988507521.db2.gz XACRRTQRKMJJFL-FVCCEPFGSA-N 0 1 230.371 2.428 20 0 BEADMN CC(C)CC[C@H](C)N1CC[C@@H](N)C(F)(F)C1 ZINC001246839530 988542215 /nfs/dbraw/zinc/54/22/15/988542215.db2.gz XTMMVAOAEMQAAW-WDEREUQCSA-N 0 1 234.334 2.479 20 0 BEADMN Cc1cccnc1CNc1ccc2nn[nH]c2c1 ZINC001323660717 988576828 /nfs/dbraw/zinc/57/68/28/988576828.db2.gz VBUDOCLWXWTGSV-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN Cc1cccnc1CNc1ccc2n[nH]nc2c1 ZINC001323660717 988576835 /nfs/dbraw/zinc/57/68/35/988576835.db2.gz VBUDOCLWXWTGSV-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN C[C@H](N(C)CN1C(=O)CC1(C)C)C1(C)CC1 ZINC001323668246 988576964 /nfs/dbraw/zinc/57/69/64/988576964.db2.gz PIRBSONIAFJZPU-JTQLQIEISA-N 0 1 224.348 2.075 20 0 BEADMN C[C@@H](N(C)CN1C(=O)CC1(C)C)C1(C)CC1 ZINC001323668247 988579721 /nfs/dbraw/zinc/57/97/21/988579721.db2.gz PIRBSONIAFJZPU-SNVBAGLBSA-N 0 1 224.348 2.075 20 0 BEADMN Cc1cc(CN[C@@H]2c3ccccc3O[C@H]2C)[nH]n1 ZINC001324034510 988670917 /nfs/dbraw/zinc/67/09/17/988670917.db2.gz KZKGYFAQHCEMKU-HZMBPMFUSA-N 0 1 243.310 2.330 20 0 BEADMN CCC(C)=CC(=O)Nc1nc(C(C)C)n[nH]1 ZINC001324357620 988811317 /nfs/dbraw/zinc/81/13/17/988811317.db2.gz VCYNIEJKFLEMHK-SOFGYWHQSA-N 0 1 222.292 2.223 20 0 BEADMN CC/C(C)=C/C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001324357620 988811323 /nfs/dbraw/zinc/81/13/23/988811323.db2.gz VCYNIEJKFLEMHK-SOFGYWHQSA-N 0 1 222.292 2.223 20 0 BEADMN Cc1cc(C[N@H+]2CC(C)(C)C2(C)C)ncn1 ZINC001324360906 988814888 /nfs/dbraw/zinc/81/48/88/988814888.db2.gz BIVIAKCGWYGJLU-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN Cc1cc(CN2CC(C)(C)C2(C)C)ncn1 ZINC001324360906 988814894 /nfs/dbraw/zinc/81/48/94/988814894.db2.gz BIVIAKCGWYGJLU-UHFFFAOYSA-N 0 1 219.332 2.405 20 0 BEADMN NCc1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC001247013823 988839129 /nfs/dbraw/zinc/83/91/29/988839129.db2.gz BMKLIAFAHRPQPL-UHFFFAOYSA-N 0 1 233.168 2.180 20 0 BEADMN COc1cc2[nH]c(CCCCO)nc2cc1C ZINC001247011806 988839692 /nfs/dbraw/zinc/83/96/92/988839692.db2.gz PYCVCAKUBPORFS-UHFFFAOYSA-N 0 1 234.299 2.195 20 0 BEADMN CCn1c(CN)nc2c1ccc1ncccc21 ZINC001247040378 988844528 /nfs/dbraw/zinc/84/45/28/988844528.db2.gz GLQJEFBACWMECB-UHFFFAOYSA-N 0 1 226.283 2.063 20 0 BEADMN OCCCc1nc2ccc(C(F)F)cc2[nH]1 ZINC001247019959 988845324 /nfs/dbraw/zinc/84/53/24/988845324.db2.gz MAJGYLSNURPIDR-UHFFFAOYSA-N 0 1 226.226 2.425 20 0 BEADMN CCCn1c(CN)nc2ccc(OCC)cc21 ZINC001247042039 988849066 /nfs/dbraw/zinc/84/90/66/988849066.db2.gz DIBIVGITPFPUKX-UHFFFAOYSA-N 0 1 233.315 2.304 20 0 BEADMN Cc1ccc(-c2noc(C3CN(C)C3)n2)c(F)c1 ZINC001247371900 988860754 /nfs/dbraw/zinc/86/07/54/988860754.db2.gz HCCAWARSNMPELG-UHFFFAOYSA-N 0 1 247.273 2.213 20 0 BEADMN CCc1ccc(-c2noc(C3CN(C)C3)n2)cc1 ZINC001247369385 988860777 /nfs/dbraw/zinc/86/07/77/988860777.db2.gz NJLPZTLWKIBYLI-UHFFFAOYSA-N 0 1 243.310 2.328 20 0 BEADMN Cc1cnc(CN[C@H]2CCC[C@H](F)C2)o1 ZINC001119246815 988862528 /nfs/dbraw/zinc/86/25/28/988862528.db2.gz HKTLVLFONGBNES-UWVGGRQHSA-N 0 1 212.268 2.353 20 0 BEADMN C(=C/N1CCCC1)\c1cccnc1-c1ncon1 ZINC001247396035 988874335 /nfs/dbraw/zinc/87/43/35/988874335.db2.gz YEWVBGPQSXTPDO-WEVVVXLNSA-N 0 1 242.282 2.198 20 0 BEADMN C[C@@H]1CN(Cc2cnc(N(C)C)s2)[C@H]1C ZINC001324568525 988874883 /nfs/dbraw/zinc/87/48/83/988874883.db2.gz DPSOUEYFTWUEKH-BDAKNGLRSA-N 0 1 225.361 2.049 20 0 BEADMN CNCc1nc(-c2cc(F)c(F)cc2C)no1 ZINC001247431288 988885771 /nfs/dbraw/zinc/88/57/71/988885771.db2.gz FLEWRKFPOWQEGQ-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN CNCc1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001247431318 988886180 /nfs/dbraw/zinc/88/61/80/988886180.db2.gz HAEYEASBZKEQJZ-UHFFFAOYSA-N 0 1 239.225 2.043 20 0 BEADMN Cn1nc2c(c1CNC(C)(C)CF)CCCC2 ZINC001119292668 988892027 /nfs/dbraw/zinc/89/20/27/988892027.db2.gz DCZYXUZCPIQNKE-UHFFFAOYSA-N 0 1 239.338 2.137 20 0 BEADMN CN[C@@H](C)c1nc(-c2ncccc2C2CC2)no1 ZINC001247490724 988897159 /nfs/dbraw/zinc/89/71/59/988897159.db2.gz IVCHNXQPQJEVKL-QMMMGPOBSA-N 0 1 244.298 2.289 20 0 BEADMN CN[C@H](C)c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001247489531 988897817 /nfs/dbraw/zinc/89/78/17/988897817.db2.gz BDKKKSRJRWESLM-MRVPVSSYSA-N 0 1 245.282 2.220 20 0 BEADMN CN[C@@H](C)c1nc(-c2ccccc2C(C)=O)no1 ZINC001247489635 988897956 /nfs/dbraw/zinc/89/79/56/988897956.db2.gz FVSCXWHOXRKLEU-QMMMGPOBSA-N 0 1 245.282 2.220 20 0 BEADMN C[C@@H](CCc1cccnc1)NCc1csnn1 ZINC001119304092 988919633 /nfs/dbraw/zinc/91/96/33/988919633.db2.gz PFTUOHWJYXHHJS-JTQLQIEISA-N 0 1 248.355 2.044 20 0 BEADMN NCc1cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)co1 ZINC001119316273 988934270 /nfs/dbraw/zinc/93/42/70/988934270.db2.gz HRITZFWQJCLASB-TVYUQYBPSA-N 0 1 248.326 2.047 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@H]1CC12CC2 ZINC001514818103 988939664 /nfs/dbraw/zinc/93/96/64/988939664.db2.gz ZSCKXNOPBTXIRG-MRVPVSSYSA-N 0 1 242.282 2.005 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)[C@@H]1CC12CC2 ZINC001514818107 988940296 /nfs/dbraw/zinc/94/02/96/988940296.db2.gz ZSCKXNOPBTXIRG-QMMMGPOBSA-N 0 1 242.282 2.005 20 0 BEADMN CC(C)C[C@H](C)OC(=O)NCCN1CC=CC1 ZINC001324731737 988950808 /nfs/dbraw/zinc/95/08/08/988950808.db2.gz PAIPGUSKGNTNRQ-LBPRGKRZSA-N 0 1 240.347 2.019 20 0 BEADMN Cc1c(F)cccc1-c1noc([C@@H]2CCN2)n1 ZINC001247677274 988976118 /nfs/dbraw/zinc/97/61/18/988976118.db2.gz TXTRGRWEAQESRS-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN CC(C)ONC(=O)[C@H](c1cccnc1)C(C)C ZINC001324792007 988983752 /nfs/dbraw/zinc/98/37/52/988983752.db2.gz MTPGZSVFEVQNRH-LBPRGKRZSA-N 0 1 236.315 2.277 20 0 BEADMN COCC(C)(C)N(C)Cc1nc2ccccc2[nH]1 ZINC001119349070 988995180 /nfs/dbraw/zinc/99/51/80/988995180.db2.gz CXPZUKVRGFBISK-UHFFFAOYSA-N 0 1 247.342 2.420 20 0 BEADMN F[C@@H]1CNC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC001247783395 989023378 /nfs/dbraw/zinc/02/33/78/989023378.db2.gz IZXKYXNFCPVNFX-QWRGUYRKSA-N 0 1 247.273 2.152 20 0 BEADMN C[C@H]1CC[C@H](c2nc(-c3ccncc3)no2)NC1 ZINC001247817525 989025641 /nfs/dbraw/zinc/02/56/41/989025641.db2.gz IRXDUURGTDWBNB-GXSJLCMTSA-N 0 1 244.298 2.192 20 0 BEADMN CC(C)OC(=O)CN(CC1CC1)C1CCC1 ZINC001325038603 989066537 /nfs/dbraw/zinc/06/65/37/989066537.db2.gz FZJHNCRDMLTQGL-UHFFFAOYSA-N 0 1 225.332 2.203 20 0 BEADMN CN[C@@H](c1nc(-c2cnccc2C)no1)C(C)C ZINC001248205406 989082936 /nfs/dbraw/zinc/08/29/36/989082936.db2.gz GBEQICXQKRRGGE-LLVKDONJSA-N 0 1 246.314 2.357 20 0 BEADMN COc1ccc(-c2noc([C@H]3CCN3)n2)c(C)c1 ZINC001248286353 989092607 /nfs/dbraw/zinc/09/26/07/989092607.db2.gz YCIZDQMAFKWZHR-LLVKDONJSA-N 0 1 245.282 2.088 20 0 BEADMN CCOc1ccc(-c2noc([C@H]3CCN3)n2)cc1 ZINC001248286313 989093763 /nfs/dbraw/zinc/09/37/63/989093763.db2.gz WZBKXTYEBQISGK-LLVKDONJSA-N 0 1 245.282 2.170 20 0 BEADMN Cc1cccc2[nH]c(-n3cncc3N)cc21 ZINC001248428933 989102046 /nfs/dbraw/zinc/10/20/46/989102046.db2.gz JBXUEOGFBJJWEW-UHFFFAOYSA-N 0 1 212.256 2.244 20 0 BEADMN COc1c(C)cccc1-n1cnc(C)c1N ZINC001248521717 989111044 /nfs/dbraw/zinc/11/10/44/989111044.db2.gz QZSWZNHUWDPFMG-UHFFFAOYSA-N 0 1 217.272 2.080 20 0 BEADMN CN1CCN(Cc2c3ccoc3ccc2F)CC1 ZINC001248523905 989115202 /nfs/dbraw/zinc/11/52/02/989115202.db2.gz HAUQKAIIAVINIU-UHFFFAOYSA-N 0 1 248.301 2.319 20 0 BEADMN Cc1ccc(CNC2CSC2)c(Cl)n1 ZINC001119515754 989121876 /nfs/dbraw/zinc/12/18/76/989121876.db2.gz KGCGCPLUKUOWAF-UHFFFAOYSA-N 0 1 228.748 2.248 20 0 BEADMN CC(C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)=C1CCC1 ZINC001325248185 989130121 /nfs/dbraw/zinc/13/01/21/989130121.db2.gz QYNFALCKHUUPGW-PHIMTYICSA-N 0 1 236.359 2.038 20 0 BEADMN Cc1cccc(-c2noc([C@]3(C)CCN3)n2)c1 ZINC001248725470 989135458 /nfs/dbraw/zinc/13/54/58/989135458.db2.gz FDDXKASYVUQACU-ZDUSSCGKSA-N 0 1 229.283 2.254 20 0 BEADMN Cc1ccc(F)cc1-c1noc([C@]2(C)CCN2)n1 ZINC001248721758 989136477 /nfs/dbraw/zinc/13/64/77/989136477.db2.gz NEDKMHKUOBQMQZ-ZDUSSCGKSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1ccc(F)cc1-c1noc([C@@]2(C)CCN2)n1 ZINC001248721757 989137255 /nfs/dbraw/zinc/13/72/55/989137255.db2.gz NEDKMHKUOBQMQZ-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN Cc1ccc(-c2noc([C@@]3(C)CCN3)n2)c(F)c1 ZINC001248722207 989137886 /nfs/dbraw/zinc/13/78/86/989137886.db2.gz UVMBUSHJPSAOOJ-CYBMUJFWSA-N 0 1 247.273 2.393 20 0 BEADMN C[C@H](NC/C=C\C1CC1)c1cc2n(n1)CCC2 ZINC001325288874 989144216 /nfs/dbraw/zinc/14/42/16/989144216.db2.gz KWRUEXUXRHWKLI-MORRKMRCSA-N 0 1 231.343 2.446 20 0 BEADMN Cc1nonc1C[N@@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001248856866 989196908 /nfs/dbraw/zinc/19/69/08/989196908.db2.gz ACOBDWASZHFKHE-NXEZZACHSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nonc1CN1CCC[C@@H](C)[C@H](C)C1 ZINC001248856866 989196918 /nfs/dbraw/zinc/19/69/18/989196918.db2.gz ACOBDWASZHFKHE-NXEZZACHSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nnc(SC[C@H]2CCC(C)(C)O2)[nH]1 ZINC001325540303 989204729 /nfs/dbraw/zinc/20/47/29/989204729.db2.gz ZTELUVOQBUBIFQ-MRVPVSSYSA-N 0 1 227.333 2.163 20 0 BEADMN Cc1nc(CN(C)[C@H]2CCOC2)ccc1Cl ZINC001248874653 989207574 /nfs/dbraw/zinc/20/75/74/989207574.db2.gz OQKOVHCHGAKOCF-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN Cc1cc(C)nc(CN2CCC[C@@H](C)C2)n1 ZINC001248933205 989217754 /nfs/dbraw/zinc/21/77/54/989217754.db2.gz SIEXDOKJCPYVQJ-SNVBAGLBSA-N 0 1 219.332 2.325 20 0 BEADMN CC[C@H](C)[C@H](NC)c1nc(-c2cccnc2)no1 ZINC001248931698 989220797 /nfs/dbraw/zinc/22/07/97/989220797.db2.gz IBVWTKKFJCUKPR-ONGXEEELSA-N 0 1 246.314 2.438 20 0 BEADMN CC[C@H]1CCCN1Cc1nc(C)cc(C)n1 ZINC001248965932 989232585 /nfs/dbraw/zinc/23/25/85/989232585.db2.gz OZKWDFCWCYIJAT-LBPRGKRZSA-N 0 1 219.332 2.468 20 0 BEADMN CN[C@H](c1nc(-c2cc(C)ccn2)no1)C(C)C ZINC001248999624 989236935 /nfs/dbraw/zinc/23/69/35/989236935.db2.gz GVYPCJLPMHHNEN-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN Cc1cc(C)nc(CN2C[C@@H](C)CC23CC3)n1 ZINC001248977333 989237057 /nfs/dbraw/zinc/23/70/57/989237057.db2.gz DMLHSIFFLCVLFM-JTQLQIEISA-N 0 1 231.343 2.468 20 0 BEADMN CN[C@H](c1nc(-c2cccc(C)n2)no1)C(C)C ZINC001248999569 989239958 /nfs/dbraw/zinc/23/99/58/989239958.db2.gz GDAMHJOOOKKQHW-NSHDSACASA-N 0 1 246.314 2.357 20 0 BEADMN CCCc1[nH]ncc1C(=O)Nc1ccc(F)nc1 ZINC001325746799 989246248 /nfs/dbraw/zinc/24/62/48/989246248.db2.gz BUVRZZQIAJXRFJ-UHFFFAOYSA-N 0 1 248.261 2.149 20 0 BEADMN CCNCc1nc(-c2ccc(OC)cc2C)no1 ZINC001249134114 989260169 /nfs/dbraw/zinc/26/01/69/989260169.db2.gz YWCUCDUHIKTHFX-UHFFFAOYSA-N 0 1 247.298 2.163 20 0 BEADMN Cc1cncc(-c2noc([C@](C)(N)C(C)C)n2)c1 ZINC001249281173 989266570 /nfs/dbraw/zinc/26/65/70/989266570.db2.gz SGCLRPYCROPPGI-CYBMUJFWSA-N 0 1 246.314 2.270 20 0 BEADMN COc1ccc2[nH]c(CN3CC[C@@H](C)C3)nc2c1 ZINC001249412095 989274182 /nfs/dbraw/zinc/27/41/82/989274182.db2.gz UKMVIYDFKAELPA-SNVBAGLBSA-N 0 1 245.326 2.413 20 0 BEADMN COc1ccc2nc(CN3CC(C)(C)C3)[nH]c2c1 ZINC001249411391 989274526 /nfs/dbraw/zinc/27/45/26/989274526.db2.gz WXQMGZKDSWCONJ-UHFFFAOYSA-N 0 1 245.326 2.413 20 0 BEADMN CC1(CO)CN(Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249521917 989294190 /nfs/dbraw/zinc/29/41/90/989294190.db2.gz HUMCSDPZGBRASF-UHFFFAOYSA-N 0 1 248.301 2.121 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)ns1 ZINC001249571757 989307256 /nfs/dbraw/zinc/30/72/56/989307256.db2.gz WAXIWGHKGZYNQO-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2CCC[C@H](O)[C@H](C)C2)ns1 ZINC001249571757 989307266 /nfs/dbraw/zinc/30/72/66/989307266.db2.gz WAXIWGHKGZYNQO-SKDRFNHKSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)ns1 ZINC001249571754 989310897 /nfs/dbraw/zinc/31/08/97/989310897.db2.gz WAXIWGHKGZYNQO-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cc(CN2CCC[C@@H](O)[C@H](C)C2)ns1 ZINC001249571754 989310907 /nfs/dbraw/zinc/31/09/07/989310907.db2.gz WAXIWGHKGZYNQO-BXKDBHETSA-N 0 1 240.372 2.044 20 0 BEADMN CC(C)OC(=O)CN1CC[C@H](C2CCC2)C1 ZINC001326007948 989324429 /nfs/dbraw/zinc/32/44/29/989324429.db2.gz NPUFFZCXFSELAB-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN COC(=O)CN(CC1=CCCC1)CC(C)C ZINC001326040978 989342217 /nfs/dbraw/zinc/34/22/17/989342217.db2.gz LAUSOZYHDZDHMT-UHFFFAOYSA-N 0 1 225.332 2.228 20 0 BEADMN CC(C)(F)C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC001119700480 989349294 /nfs/dbraw/zinc/34/92/94/989349294.db2.gz JQHLFXIGRGDDMM-UHFFFAOYSA-N 0 1 239.172 2.115 20 0 BEADMN CCN(CC(N)=O)Cc1ccccc1CC(C)C ZINC001119767216 989385319 /nfs/dbraw/zinc/38/53/19/989385319.db2.gz QMTMTGIIEBIRKC-UHFFFAOYSA-N 0 1 248.370 2.192 20 0 BEADMN CC1=CCC[N@@H+](CCC2(C(=O)[O-])CCC2)C1 ZINC001603352573 989392400 /nfs/dbraw/zinc/39/24/00/989392400.db2.gz TVRCQVOUQMCXBM-UHFFFAOYSA-N 0 1 223.316 2.283 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CCCSCC1 ZINC001119771382 989393054 /nfs/dbraw/zinc/39/30/54/989393054.db2.gz MOPCTGQEUWEBSR-SECBINFHSA-N 0 1 243.401 2.346 20 0 BEADMN COC/C(C)=C/CN1CCC[C@H](OC(F)F)C1 ZINC001119803768 989404669 /nfs/dbraw/zinc/40/46/69/989404669.db2.gz AYHMQLXKVRHNHN-UAWPZABVSA-N 0 1 249.301 2.283 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCc2cccc(C)c2C1 ZINC001603503753 989422251 /nfs/dbraw/zinc/42/22/51/989422251.db2.gz YHLGLVTVCMROSL-CYBMUJFWSA-N 0 1 233.311 2.216 20 0 BEADMN Cc1nc[nH]c1C(=O)O[C@H](C)C1CCCC1 ZINC001519552879 989429993 /nfs/dbraw/zinc/42/99/93/989429993.db2.gz CKYOQBGUPQOFRM-SECBINFHSA-N 0 1 222.288 2.454 20 0 BEADMN C[C@H](c1ncccn1)N1CCSC[C@H](C)C1 ZINC001119849937 989438816 /nfs/dbraw/zinc/43/88/16/989438816.db2.gz MWKNAGDGMMLHOW-GHMZBOCLSA-N 0 1 237.372 2.223 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc(C(C)=O)cc1 ZINC001119880848 989451482 /nfs/dbraw/zinc/45/14/82/989451482.db2.gz LNRAYHXSUUWMBV-LSDHHAIUSA-N 0 1 247.338 2.498 20 0 BEADMN COc1ccc(CNC/C=C/C2CC2)nc1 ZINC001119969916 989520807 /nfs/dbraw/zinc/52/08/07/989520807.db2.gz LWGDOYDCMPTDLE-NSCUHMNNSA-N 0 1 218.300 2.146 20 0 BEADMN C[C@@H]1CN(CCc2ccc(F)cc2)C[C@H](C)O1 ZINC001120037062 989570700 /nfs/dbraw/zinc/57/07/00/989570700.db2.gz AFKVRXDNJVHNSO-TXEJJXNPSA-N 0 1 237.318 2.477 20 0 BEADMN CCN(Cc1ncc(C)cn1)C(C)(C)C ZINC001326472813 989574574 /nfs/dbraw/zinc/57/45/74/989574574.db2.gz OMVCBVHFUHOHIQ-UHFFFAOYSA-N 0 1 207.321 2.405 20 0 BEADMN CCc1nnc(CN[C@H]2CCC[C@@H](F)C2)s1 ZINC001120057752 989579983 /nfs/dbraw/zinc/57/99/83/989579983.db2.gz JKLYPFIURIGZHQ-BDAKNGLRSA-N 0 1 243.351 2.471 20 0 BEADMN Cc1nnc(S[C@H](C)c2snnc2C)[nH]1 ZINC001120252222 989616741 /nfs/dbraw/zinc/61/67/41/989616741.db2.gz QNPBGJIMPNPBPZ-RXMQYKEDSA-N 0 1 241.345 2.126 20 0 BEADMN Cc1n[nH]c(S[C@H](C)c2snnc2C)n1 ZINC001120252222 989616745 /nfs/dbraw/zinc/61/67/45/989616745.db2.gz QNPBGJIMPNPBPZ-RXMQYKEDSA-N 0 1 241.345 2.126 20 0 BEADMN CC(C)C[C@H](C)[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001603768190 989712275 /nfs/dbraw/zinc/71/22/75/989712275.db2.gz IPRJHHROCZCFJS-WDEREUQCSA-N 0 1 245.388 2.171 20 0 BEADMN CC(C)=C(C)CC(=O)NCc1n[nH]c(C)c1C ZINC001521892550 989813108 /nfs/dbraw/zinc/81/31/08/989813108.db2.gz DIJKGJKDCMESAU-UHFFFAOYSA-N 0 1 235.331 2.389 20 0 BEADMN CC(C)c1oncc1NC(=O)CN(C)C(C)C ZINC001120691688 989834091 /nfs/dbraw/zinc/83/40/91/989834091.db2.gz YZCWWUIFMATCEW-UHFFFAOYSA-N 0 1 239.319 2.077 20 0 BEADMN CCC[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001120712128 989842744 /nfs/dbraw/zinc/84/27/44/989842744.db2.gz YIURLJYHYDPPPD-OLZOCXBDSA-N 0 1 238.375 2.262 20 0 BEADMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C1(C)CC1 ZINC001120728225 989852230 /nfs/dbraw/zinc/85/22/30/989852230.db2.gz WPRIQTANWUYTSB-MNOVXSKESA-N 0 1 238.375 2.164 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1(C)CC1 ZINC001120728426 989852661 /nfs/dbraw/zinc/85/26/61/989852661.db2.gz WPRIQTANWUYTSB-WDEREUQCSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1ccccc1C[C@@H](C)Nc1ccnc(N)n1 ZINC001120803957 989889572 /nfs/dbraw/zinc/88/95/72/989889572.db2.gz KHMFSZYADVAVOR-LLVKDONJSA-N 0 1 242.326 2.410 20 0 BEADMN CN(c1nccnc1CN)C1CCCCCCC1 ZINC001120892461 989953256 /nfs/dbraw/zinc/95/32/56/989953256.db2.gz KZYOYPIRBZIIJG-UHFFFAOYSA-N 0 1 248.374 2.484 20 0 BEADMN CCC(C)(C)[C@@H](C)Nc1nccnc1CN ZINC001120945167 989980554 /nfs/dbraw/zinc/98/05/54/989980554.db2.gz KUAQXVBOLFLESO-SECBINFHSA-N 0 1 222.336 2.172 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001526549554 990149889 /nfs/dbraw/zinc/14/98/89/990149889.db2.gz WXOYERYMQKQJCU-HBNTYKKESA-N 0 1 234.299 2.311 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3F)cc2[nH]1 ZINC001123748975 990659454 /nfs/dbraw/zinc/65/94/54/990659454.db2.gz RRYXZLGGEYHAJP-IUCAKERBSA-N 0 1 233.246 2.168 20 0 BEADMN Cc1nc2ccc(NC(=O)[C@H]3C[C@H]3F)cc2[nH]1 ZINC001123748974 990660430 /nfs/dbraw/zinc/66/04/30/990660430.db2.gz RRYXZLGGEYHAJP-DTWKUNHWSA-N 0 1 233.246 2.168 20 0 BEADMN CC[C@H](CC(F)F)C(=O)NCc1cc(C)[nH]n1 ZINC001543413268 990691135 /nfs/dbraw/zinc/69/11/35/990691135.db2.gz JLNXIODKIFBECP-MRVPVSSYSA-N 0 1 245.273 2.016 20 0 BEADMN CC(=CC(=O)NCc1cn[nH]c1C)c1ccco1 ZINC001543566636 990698163 /nfs/dbraw/zinc/69/81/63/990698163.db2.gz ZMFOSSUMVGJZCN-TWGQIWQCSA-N 0 1 245.282 2.031 20 0 BEADMN Cc1[nH]nc(CNC(=O)C[C@H]2CC[C@H](C)C2)c1C ZINC001123989027 990724657 /nfs/dbraw/zinc/72/46/57/990724657.db2.gz NDQWLGPRXWOZJB-CABZTGNLSA-N 0 1 249.358 2.469 20 0 BEADMN Cc1[nH]nc(CNC(=O)/C=C/C(C)(C)C)c1C ZINC001123989041 990725273 /nfs/dbraw/zinc/72/52/73/990725273.db2.gz NJTCSJBRHLFQEX-VOTSOKGWSA-N 0 1 235.331 2.245 20 0 BEADMN CC/C=C\CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC001556772760 990852669 /nfs/dbraw/zinc/85/26/69/990852669.db2.gz MIRYOEVRRAAITM-ARJAWSKDSA-N 0 1 247.273 2.398 20 0 BEADMN CC[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1 ZINC001557050724 990873054 /nfs/dbraw/zinc/87/30/54/990873054.db2.gz CQSVLKSDEGMBFE-LLVKDONJSA-N 0 1 247.273 2.430 20 0 BEADMN Oc1cc(O)cc(CN2CCCCC2)c1 ZINC001138323499 990915504 /nfs/dbraw/zinc/91/55/04/990915504.db2.gz XSNNXFLVXJSXLQ-UHFFFAOYSA-N 0 1 207.273 2.084 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001138390963 990928653 /nfs/dbraw/zinc/92/86/53/990928653.db2.gz LZLNBYGAAYYHIO-NEPJUHHUSA-N 0 1 232.327 2.409 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CC2CCC1CC2 ZINC001138394443 990936771 /nfs/dbraw/zinc/93/67/71/990936771.db2.gz RHVAYIWQJUDPOG-UHFFFAOYSA-N 0 1 218.300 2.162 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC2CCC1CC2 ZINC001138394443 990936775 /nfs/dbraw/zinc/93/67/75/990936775.db2.gz RHVAYIWQJUDPOG-UHFFFAOYSA-N 0 1 218.300 2.162 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC001558497330 990950184 /nfs/dbraw/zinc/95/01/84/990950184.db2.gz KDSKOXBRNUFTEC-JQWIXIFHSA-N 0 1 249.358 2.415 20 0 BEADMN CC(C)C[C@H](C)C[C@@H](C)N1CCN(C)C(=O)C1 ZINC001258065185 990960068 /nfs/dbraw/zinc/96/00/68/990960068.db2.gz UUNMRCODJWUNAP-QWHCGFSZSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)c1ncc(CNC(=O)CC(F)(F)F)[nH]1 ZINC001558560645 990966334 /nfs/dbraw/zinc/96/63/34/990966334.db2.gz JSUJWOGPNQNCBF-UHFFFAOYSA-N 0 1 249.236 2.102 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@H]2CC2(C)C)[nH]1 ZINC001558561445 990966798 /nfs/dbraw/zinc/96/67/98/990966798.db2.gz RWAFXDKJXLESHS-SNVBAGLBSA-N 0 1 235.331 2.195 20 0 BEADMN Cc1nc(CNc2cccc3[nH]nnc32)cs1 ZINC001308409298 990988527 /nfs/dbraw/zinc/98/85/27/990988527.db2.gz OIQARZORZZOSPK-UHFFFAOYSA-N 0 1 245.311 2.335 20 0 BEADMN CCCn1ncc(CN2CC(C)(C)C2)c1C ZINC001138637323 990994449 /nfs/dbraw/zinc/99/44/49/990994449.db2.gz NPXKYTHVHKUJMC-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCN(C(C)=O)CC1 ZINC001258089747 990997823 /nfs/dbraw/zinc/99/78/23/990997823.db2.gz VEKPILMXFKHYGH-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)=CCC[C@@H](C)N1CCN(C)C(=O)[C@@H]1C ZINC001258098788 991006539 /nfs/dbraw/zinc/00/65/39/991006539.db2.gz DHQBWZGMIQGBCA-OLZOCXBDSA-N 0 1 238.375 2.284 20 0 BEADMN Fc1cc(F)c(CNCc2cnc[nH]2)c(F)c1 ZINC001308514817 991019753 /nfs/dbraw/zinc/01/97/53/991019753.db2.gz VGXJVOSDWZQDAY-UHFFFAOYSA-N 0 1 241.216 2.117 20 0 BEADMN Cc1cccnc1[C@H](C)NCc1ccc(=O)[nH]c1 ZINC001308549666 991032185 /nfs/dbraw/zinc/03/21/85/991032185.db2.gz NURXQAVXXXSECY-NSHDSACASA-N 0 1 243.310 2.341 20 0 BEADMN c1cc(CN2C[C@@H]3C[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138776751 991038313 /nfs/dbraw/zinc/03/83/13/991038313.db2.gz XGTKESMXFOECSY-MBNYWOFBSA-N 0 1 247.342 2.034 20 0 BEADMN Fc1ncccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138785890 991049076 /nfs/dbraw/zinc/04/90/76/991049076.db2.gz BZUWVMCYZNFNFY-GARJFASQSA-N 0 1 224.254 2.011 20 0 BEADMN CO[C@H]1CCN(Cc2cccnc2F)[C@@H](C)C1 ZINC001138791409 991052746 /nfs/dbraw/zinc/05/27/46/991052746.db2.gz CLTWMYPUBBOQJL-JQWIXIFHSA-N 0 1 238.306 2.220 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1nc(CO)cs1 ZINC001308604990 991060530 /nfs/dbraw/zinc/06/05/30/991060530.db2.gz ZGTXFUZJGBDXKI-IUCAKERBSA-N 0 1 226.345 2.008 20 0 BEADMN Cc1cnc(CN)n1[C@H](C)Cc1ccco1 ZINC001258176646 991074673 /nfs/dbraw/zinc/07/46/73/991074673.db2.gz CZDDJCDTXSPZLL-SECBINFHSA-N 0 1 219.288 2.047 20 0 BEADMN CC(=O)OC1CN([C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258175284 991074949 /nfs/dbraw/zinc/07/49/49/991074949.db2.gz SCCHACGHBHVNCT-IAZYJMLFSA-N 0 1 225.332 2.058 20 0 BEADMN CCc1nnc(S[C@H]2CCC[C@H](OC)C2)[nH]1 ZINC001559356213 991077756 /nfs/dbraw/zinc/07/77/56/991077756.db2.gz CKWVNNDTIWBGPR-IUCAKERBSA-N 0 1 241.360 2.417 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCC[C@H](OC)C2)n1 ZINC001559356213 991077761 /nfs/dbraw/zinc/07/77/61/991077761.db2.gz CKWVNNDTIWBGPR-IUCAKERBSA-N 0 1 241.360 2.417 20 0 BEADMN Cc1cc(CN2C[C@@H](C)CC23CC3)nn1C ZINC001138832046 991085746 /nfs/dbraw/zinc/08/57/46/991085746.db2.gz HNTPJWGZPKNQNH-JTQLQIEISA-N 0 1 219.332 2.103 20 0 BEADMN Cc1c[nH]c(CN(CC2CC2)C2CC2)n1 ZINC001138938241 991103877 /nfs/dbraw/zinc/10/38/77/991103877.db2.gz CURLOVQRNHRNLF-UHFFFAOYSA-N 0 1 205.305 2.093 20 0 BEADMN Cc1c[nH]c(CN2C[C@H](C)CC23CC3)n1 ZINC001138938261 991105957 /nfs/dbraw/zinc/10/59/57/991105957.db2.gz DTHAFQBBJMINKY-SECBINFHSA-N 0 1 205.305 2.093 20 0 BEADMN COCC[C@@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC001138940472 991109625 /nfs/dbraw/zinc/10/96/25/991109625.db2.gz IOJHISCLNOIUTG-LBPRGKRZSA-N 0 1 237.347 2.109 20 0 BEADMN CSCC[C@@H](C)N[C@H](C)c1ncc(F)cn1 ZINC001258208223 991127226 /nfs/dbraw/zinc/12/72/26/991127226.db2.gz LCLUTTONTHXYOG-RKDXNWHRSA-N 0 1 243.351 2.408 20 0 BEADMN CCCn1cc(CN2CCC(F)CC2)cn1 ZINC001139036942 991127577 /nfs/dbraw/zinc/12/75/77/991127577.db2.gz AJIWJPSWRNALJN-UHFFFAOYSA-N 0 1 225.311 2.227 20 0 BEADMN CSCC[C@@H](C)Nc1cccnc1CN ZINC001258208182 991127741 /nfs/dbraw/zinc/12/77/41/991127741.db2.gz KCZYSUNPODCOHN-SECBINFHSA-N 0 1 225.361 2.094 20 0 BEADMN CSCC[C@H](C)Nc1cccnc1CN ZINC001258208183 991128681 /nfs/dbraw/zinc/12/86/81/991128681.db2.gz KCZYSUNPODCOHN-VIFPVBQESA-N 0 1 225.361 2.094 20 0 BEADMN CCOC(=O)CN(CCCCCOC)C(C)C ZINC001559512345 991135431 /nfs/dbraw/zinc/13/54/31/991135431.db2.gz PXCDQKYFPQWBEI-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN CSCC[C@@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001258214156 991138278 /nfs/dbraw/zinc/13/82/78/991138278.db2.gz GQJJXTGIFCZTFK-ZJUUUORDSA-N 0 1 233.352 2.131 20 0 BEADMN CSCC[C@@H](C)N1CCn2cccc2C1 ZINC001258220431 991146904 /nfs/dbraw/zinc/14/69/04/991146904.db2.gz SVGDLYCRSYTBJL-LLVKDONJSA-N 0 1 224.373 2.445 20 0 BEADMN CCNc1ccccc1CN1CC[C@@]12CCOC2 ZINC001308823298 991162159 /nfs/dbraw/zinc/16/21/59/991162159.db2.gz NEHPQARZNKHHRO-HNNXBMFYSA-N 0 1 246.354 2.483 20 0 BEADMN COc1nsc(CN[C@@H]2CC23CC3)c1Cl ZINC001202904350 991182284 /nfs/dbraw/zinc/18/22/84/991182284.db2.gz YODOGRWOOLZHHV-SSDOTTSWSA-N 0 1 244.747 2.447 20 0 BEADMN Cc1cc(CN(C)Cc2cnc[nH]2)cc(C)n1 ZINC001308859529 991184514 /nfs/dbraw/zinc/18/45/14/991184514.db2.gz LKMKHEDWGOAXJO-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN C[C@@H]1CCN1Cc1ccc2nsnc2c1 ZINC001139209807 991195289 /nfs/dbraw/zinc/19/52/89/991195289.db2.gz AIVKWCOSIOWUEZ-MRVPVSSYSA-N 0 1 219.313 2.286 20 0 BEADMN C[C@]1(F)CCCCN(Cc2cnc(N)s2)C1 ZINC001139225556 991197275 /nfs/dbraw/zinc/19/72/75/991197275.db2.gz BTDCHBDIIXKMHO-NSHDSACASA-N 0 1 243.351 2.439 20 0 BEADMN Nc1ncc(CN2CC3(C2)CCCC3)s1 ZINC001139225979 991201925 /nfs/dbraw/zinc/20/19/25/991201925.db2.gz NAUZPYPODHFGQD-UHFFFAOYSA-N 0 1 223.345 2.101 20 0 BEADMN CC[C@@H](NCc1c[nH]nn1)c1ccc(C)c(F)c1 ZINC001559680740 991219664 /nfs/dbraw/zinc/21/96/64/991219664.db2.gz JZGUXNSUJXKRHI-CYBMUJFWSA-N 0 1 248.305 2.493 20 0 BEADMN CC(C)C1(CN(C)Cc2ccn(C)n2)CC1 ZINC001308976241 991244349 /nfs/dbraw/zinc/24/43/49/991244349.db2.gz BLHFJOILCDVVPG-UHFFFAOYSA-N 0 1 221.348 2.288 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+]2CCC[C@@H](C(C)C)C2)n1 ZINC001559760370 991244582 /nfs/dbraw/zinc/24/45/82/991244582.db2.gz QSSJOAMIGUSFQQ-GFCCVEGCSA-N 0 1 249.358 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H](C(C)C)C2)n1 ZINC001559760370 991244595 /nfs/dbraw/zinc/24/45/95/991244595.db2.gz QSSJOAMIGUSFQQ-GFCCVEGCSA-N 0 1 249.358 2.359 20 0 BEADMN CC[C@@H]1CCN(Cc2nc(C3CC3)nn2C)[C@H]1C ZINC001559768820 991249990 /nfs/dbraw/zinc/24/99/90/991249990.db2.gz IUDBLQVGPRQSAJ-WDEREUQCSA-N 0 1 248.374 2.313 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@H](C)CC(C)(C)SC ZINC001258341785 991252072 /nfs/dbraw/zinc/25/20/72/991252072.db2.gz NWBSCQNYXZQCPY-ZJUUUORDSA-N 0 1 247.404 2.400 20 0 BEADMN CSC(C)(C)C[C@@H](C)N(C)CC(C)=O ZINC001258334399 991260097 /nfs/dbraw/zinc/26/00/97/991260097.db2.gz FVROQPHQAUTWMC-SECBINFHSA-N 0 1 217.378 2.427 20 0 BEADMN [CH2]CC[N@@H+](CCN)[C@H](C)CC(C)(C)SC ZINC001258335127 991262418 /nfs/dbraw/zinc/26/24/18/991262418.db2.gz XEZONTWAEZSOSN-LLVKDONJSA-N 0 1 231.429 2.391 20 0 BEADMN [CH2]CCN(CC[NH3+])[C@H](C)CC(C)(C)SC ZINC001258335127 991262430 /nfs/dbraw/zinc/26/24/30/991262430.db2.gz XEZONTWAEZSOSN-LLVKDONJSA-N 0 1 231.429 2.391 20 0 BEADMN C[C@H]1CCN(Cc2cn3c(cccc3F)n2)C1 ZINC001139571331 991278100 /nfs/dbraw/zinc/27/81/00/991278100.db2.gz VIBKUKLXOPSEPU-JTQLQIEISA-N 0 1 233.290 2.315 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)Nc1cccc(F)c1 ZINC001310101922 991292834 /nfs/dbraw/zinc/29/28/34/991292834.db2.gz KFALLJKGUAKNCL-UHFFFAOYSA-N 0 1 248.261 2.213 20 0 BEADMN CC1(C)CCCN1Cc1cn2ccncc2n1 ZINC001139694244 991320881 /nfs/dbraw/zinc/32/08/81/991320881.db2.gz HGZMFIMJWJHAHG-UHFFFAOYSA-N 0 1 230.315 2.104 20 0 BEADMN C[C@@H]1CCN1Cc1cnc2cccnc2c1 ZINC001139739110 991348541 /nfs/dbraw/zinc/34/85/41/991348541.db2.gz YCMHBWSIQMGDRZ-SNVBAGLBSA-N 0 1 213.284 2.224 20 0 BEADMN C1=CCN(Cc2cnc3cccnc3c2)C1 ZINC001139739411 991353401 /nfs/dbraw/zinc/35/34/01/991353401.db2.gz CMLCPTPIGAOAAN-UHFFFAOYSA-N 0 1 211.268 2.002 20 0 BEADMN CC[C@@H](C)[C@@H](C)N1CCn2nccc2C1 ZINC001560025969 991360684 /nfs/dbraw/zinc/36/06/84/991360684.db2.gz MCLPRHOIZQCBPK-GHMZBOCLSA-N 0 1 207.321 2.133 20 0 BEADMN Cc1cnc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)s1 ZINC001139808918 991376016 /nfs/dbraw/zinc/37/60/16/991376016.db2.gz HMBYOUPEQHNDSU-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@H]2CO)s1 ZINC001139808918 991376025 /nfs/dbraw/zinc/37/60/25/991376025.db2.gz HMBYOUPEQHNDSU-GXSJLCMTSA-N 0 1 240.372 2.044 20 0 BEADMN Cc1cnc(CN2CCC[C@H](O)[C@H](C)C2)s1 ZINC001139808967 991377282 /nfs/dbraw/zinc/37/72/82/991377282.db2.gz IFWLYKUZAXPLNM-KOLCDFICSA-N 0 1 240.372 2.044 20 0 BEADMN CCCCC[C@H](CC)N1CCn2nncc2C1 ZINC001258442649 991380344 /nfs/dbraw/zinc/38/03/44/991380344.db2.gz GSGPWRUIJLDHRI-LBPRGKRZSA-N 0 1 236.363 2.453 20 0 BEADMN COc1ncc(CN2CCC[C@H](F)CC2)s1 ZINC001139815071 991381326 /nfs/dbraw/zinc/38/13/26/991381326.db2.gz USWVRVOJIGCTPJ-VIFPVBQESA-N 0 1 244.335 2.476 20 0 BEADMN C[C@@]1(C(F)(F)F)CCN(CC2=NOCC2)C1 ZINC001560123749 991389765 /nfs/dbraw/zinc/38/97/65/991389765.db2.gz FUNATFBDTFIHQO-SECBINFHSA-N 0 1 236.237 2.037 20 0 BEADMN Cc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)nc1 ZINC001139839714 991401342 /nfs/dbraw/zinc/40/13/42/991401342.db2.gz PPWCEOVHWRCXSY-ZFWWWQNUSA-N 0 1 246.354 2.391 20 0 BEADMN C[C@H](CC1CC1)NCc1nccc(Cl)n1 ZINC001258454476 991406708 /nfs/dbraw/zinc/40/67/08/991406708.db2.gz JJFBORNCOHWSKW-MRVPVSSYSA-N 0 1 225.723 2.408 20 0 BEADMN Cn1ncc2ccc(CN3CCSCC3)cc21 ZINC001139907169 991415954 /nfs/dbraw/zinc/41/59/54/991415954.db2.gz YWMWUVJDJZVYGJ-UHFFFAOYSA-N 0 1 247.367 2.122 20 0 BEADMN COc1ccc(CN2CCC[C@H]2C)c(OC)n1 ZINC001139917352 991416705 /nfs/dbraw/zinc/41/67/05/991416705.db2.gz UDCWHPBOJKZCKU-SNVBAGLBSA-N 0 1 236.315 2.083 20 0 BEADMN C[C@@H](CC1CC1)N(C)CC(=O)OC(C)(C)C ZINC001258460743 991418477 /nfs/dbraw/zinc/41/84/77/991418477.db2.gz GNGKIUUSSAHNGD-JTQLQIEISA-N 0 1 227.348 2.449 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cn1 ZINC001139931250 991422409 /nfs/dbraw/zinc/42/24/09/991422409.db2.gz OEEQGZXLYMVCFV-RWMBFGLXSA-N 0 1 220.291 2.180 20 0 BEADMN Cc1ccc(CN2CCC[C@@]3(CCO3)C2)cn1 ZINC001139932798 991423119 /nfs/dbraw/zinc/42/31/19/991423119.db2.gz PVFVUFGONIVCEU-CQSZACIVSA-N 0 1 232.327 2.145 20 0 BEADMN CCOC(=O)CC[C@H](C)N[C@H](C)c1ccno1 ZINC001258486724 991456806 /nfs/dbraw/zinc/45/68/06/991456806.db2.gz LPEYZYFVKCXQAY-VHSXEESVSA-N 0 1 240.303 2.057 20 0 BEADMN CCC(=O)NC[C@H]1CCCCN1C[C@@H](F)CC ZINC001317165438 991458009 /nfs/dbraw/zinc/45/80/09/991458009.db2.gz IHTLPGFQCYTYFS-NWDGAFQWSA-N 0 1 244.354 2.115 20 0 BEADMN CCn1ccc(CNCCNc2ccccc2)n1 ZINC001560365097 991461077 /nfs/dbraw/zinc/46/10/77/991461077.db2.gz KUPUWYXWBSSQEE-UHFFFAOYSA-N 0 1 244.342 2.105 20 0 BEADMN CCOC(=O)CC[C@@H](C)N1CCC[C@H](F)C1 ZINC001258494636 991463034 /nfs/dbraw/zinc/46/30/34/991463034.db2.gz KFRTZVVPKZLCBH-MNOVXSKESA-N 0 1 231.311 2.152 20 0 BEADMN CN(CCc1ccccc1F)Cc1ccnnc1 ZINC001139986985 991466918 /nfs/dbraw/zinc/46/69/18/991466918.db2.gz VGEIKFZZZAPYEJ-UHFFFAOYSA-N 0 1 245.301 2.290 20 0 BEADMN CC(C)n1c(CNC[C@H](C)O)nc2ccccc21 ZINC001560399791 991469674 /nfs/dbraw/zinc/46/96/74/991469674.db2.gz AOQLUYMDGCWRED-NSHDSACASA-N 0 1 247.342 2.088 20 0 BEADMN CSc1nccc(CN2CC[C@H](C)C2)n1 ZINC001140034381 991489261 /nfs/dbraw/zinc/48/92/61/991489261.db2.gz LHNBMPDGQJELFU-VIFPVBQESA-N 0 1 223.345 2.040 20 0 BEADMN CC1(C)CC[C@H](NCc2ncc(F)cn2)C1 ZINC001258593298 991492292 /nfs/dbraw/zinc/49/22/92/991492292.db2.gz PPQVUJUVHFBREU-JTQLQIEISA-N 0 1 223.295 2.284 20 0 BEADMN Oc1ccc(F)c(CN2CC3CC(C3)C2)c1 ZINC001140052687 991508522 /nfs/dbraw/zinc/50/85/22/991508522.db2.gz VVWIRGRGWBTLOM-UHFFFAOYSA-N 0 1 221.275 2.373 20 0 BEADMN CCn1cnc(Cl)c1CNCCC(F)F ZINC001560618130 991519720 /nfs/dbraw/zinc/51/97/20/991519720.db2.gz LKYMTDSEAWBMLA-UHFFFAOYSA-N 0 1 237.681 2.301 20 0 BEADMN O=C1CCC[C@@H]2CN(Cc3cccc(F)n3)C[C@@H]12 ZINC001140135234 991536443 /nfs/dbraw/zinc/53/64/43/991536443.db2.gz YJZFTYNNPOIMCX-ZYHUDNBSSA-N 0 1 248.301 2.022 20 0 BEADMN C[C@H](Cc1cccnc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001258620098 991546901 /nfs/dbraw/zinc/54/69/01/991546901.db2.gz CZYFZSAZPHMJEH-JHJVBQTASA-N 0 1 234.343 2.122 20 0 BEADMN C[C@H](Cc1cccnc1)N1CC[C@H](F)C1 ZINC001258622301 991549465 /nfs/dbraw/zinc/54/94/65/991549465.db2.gz JZGVQBIHSHWKCZ-PWSUYJOCSA-N 0 1 208.280 2.056 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCOCC1(C)C ZINC001258628857 991562628 /nfs/dbraw/zinc/56/26/28/991562628.db2.gz UOEZBOKZLXTODT-GFCCVEGCSA-N 0 1 234.343 2.123 20 0 BEADMN Oc1cccc2[nH]cc(CN3CC=CC3)c21 ZINC001140232226 991569347 /nfs/dbraw/zinc/56/93/47/991569347.db2.gz XZJTXZXYRPUNRG-UHFFFAOYSA-N 0 1 214.268 2.245 20 0 BEADMN CC(=O)[C@H]1CCCCN1[C@@H](C)Cc1cccnc1 ZINC001258633784 991574985 /nfs/dbraw/zinc/57/49/85/991574985.db2.gz JUFIDMRDYGHAFH-SWLSCSKDSA-N 0 1 246.354 2.456 20 0 BEADMN C[C@H](Cc1cccnc1)N1CCOC[C@H]1C1CC1 ZINC001258635148 991577232 /nfs/dbraw/zinc/57/72/32/991577232.db2.gz XPVCFSOBUMOQBW-DOMZBBRYSA-N 0 1 246.354 2.123 20 0 BEADMN CCC[C@@H](Cc1ccccc1)N1CC(O)C1 ZINC001258657861 991591105 /nfs/dbraw/zinc/59/11/05/991591105.db2.gz VCNBWBZEYYNPMS-ZDUSSCGKSA-N 0 1 219.328 2.074 20 0 BEADMN C[C@H]1CCCCN(Cc2nc(CO)cs2)C1 ZINC001560763301 991595502 /nfs/dbraw/zinc/59/55/02/991595502.db2.gz IEKMWZVAYNZATI-JTQLQIEISA-N 0 1 240.372 2.257 20 0 BEADMN CC1(C)CC[N@@H+](Cc2ccncc2[O-])C1 ZINC001140278089 991600221 /nfs/dbraw/zinc/60/02/21/991600221.db2.gz NSRMIBMWWDEKDG-UHFFFAOYSA-N 0 1 206.289 2.019 20 0 BEADMN CC(C)CCC(=O)NC1CN(CCC(C)C)C1 ZINC001317997746 991604924 /nfs/dbraw/zinc/60/49/24/991604924.db2.gz FRTCFRXTOVNXQU-UHFFFAOYSA-N 0 1 240.391 2.269 20 0 BEADMN CC1(C)CN(Cc2cccn2C(F)F)C[C@@H]1O ZINC001560803351 991607148 /nfs/dbraw/zinc/60/71/48/991607148.db2.gz SKKYBIVGWJSRQG-JTQLQIEISA-N 0 1 244.285 2.086 20 0 BEADMN Cc1ccc2n[nH]c(CN3CCC3)c2c1 ZINC001140328115 991607466 /nfs/dbraw/zinc/60/74/66/991607466.db2.gz UHQZFQMEWLUJKP-UHFFFAOYSA-N 0 1 201.273 2.077 20 0 BEADMN CCC[C@@H](C)CC(=O)NC1CN(CC(C)C)C1 ZINC001318007500 991608295 /nfs/dbraw/zinc/60/82/95/991608295.db2.gz LPIJKESKMFAPLM-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN FC1(F)CCCN(Cc2ccncn2)CC1 ZINC001140344783 991614088 /nfs/dbraw/zinc/61/40/88/991614088.db2.gz DMSZKAACHFBOJJ-UHFFFAOYSA-N 0 1 227.258 2.098 20 0 BEADMN CCCn1cncc1CN1C[C@H](C)[C@@H]1C ZINC001560857261 991624238 /nfs/dbraw/zinc/62/42/38/991624238.db2.gz YYFUMUGNYOODFN-QWRGUYRKSA-N 0 1 207.321 2.133 20 0 BEADMN CCCC[C@H](Cc1ccccc1)N1CC(O)C1 ZINC001258710386 991642639 /nfs/dbraw/zinc/64/26/39/991642639.db2.gz VOYBCUYMFWVJBD-CQSZACIVSA-N 0 1 233.355 2.464 20 0 BEADMN CCCC[C@@H](Cc1ccccc1)N1CC(O)C1 ZINC001258710385 991643016 /nfs/dbraw/zinc/64/30/16/991643016.db2.gz VOYBCUYMFWVJBD-AWEZNQCLSA-N 0 1 233.355 2.464 20 0 BEADMN CC(C)[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC001591092575 991643910 /nfs/dbraw/zinc/64/39/10/991643910.db2.gz QTNLFCIJSSGTTR-QWHCGFSZSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H]1CN(Cc2ccc3c(c2)ncn3C)C[C@@H]1F ZINC001140509736 991658405 /nfs/dbraw/zinc/65/84/05/991658405.db2.gz OHNSHLJYJLWTOI-PWSUYJOCSA-N 0 1 247.317 2.363 20 0 BEADMN CC(C)c1n[nH]c(NC(=O)[C@@H](C)C(C)C)n1 ZINC001318513421 991669962 /nfs/dbraw/zinc/66/99/62/991669962.db2.gz IZAGEAAKDUWKMS-QMMMGPOBSA-N 0 1 224.308 2.159 20 0 BEADMN CC(C)c1nc(NC(=O)[C@@H](C)C(C)C)n[nH]1 ZINC001318513421 991669966 /nfs/dbraw/zinc/66/99/66/991669966.db2.gz IZAGEAAKDUWKMS-QMMMGPOBSA-N 0 1 224.308 2.159 20 0 BEADMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ncccc1F ZINC001560967443 991674127 /nfs/dbraw/zinc/67/41/27/991674127.db2.gz HXJBMINERQQOHC-XHSYRHOGSA-N 0 1 238.306 2.122 20 0 BEADMN Cc1cc(CN2CC3(C2)CCCOC3)ccc1O ZINC001140572911 991674231 /nfs/dbraw/zinc/67/42/31/991674231.db2.gz BBFBXIAAIVKMIN-UHFFFAOYSA-N 0 1 247.338 2.313 20 0 BEADMN C[C@H](Cc1cccc(Cl)c1)N1CC(CO)C1 ZINC001258749831 991688686 /nfs/dbraw/zinc/68/86/86/991688686.db2.gz NYTCTZJOEMUIQU-SNVBAGLBSA-N 0 1 239.746 2.195 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CC(C)(C)C1(C)C ZINC001318919601 991737771 /nfs/dbraw/zinc/73/77/71/991737771.db2.gz OFBNMPXNQCZKJT-NSHDSACASA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1SC(=O)[N-]C1=O ZINC001258778585 991745776 /nfs/dbraw/zinc/74/57/76/991745776.db2.gz IGZXKDDSDVSMIN-OYNCUSHFSA-N 0 1 244.360 2.100 20 0 BEADMN CC[C@H](C)C[C@H](CC)N1CCO[C@H](C(C)=O)C1 ZINC001258800908 991800417 /nfs/dbraw/zinc/80/04/17/991800417.db2.gz ZENDRDOMXYRNFP-UBHSHLNASA-N 0 1 241.375 2.491 20 0 BEADMN CC(C)C1CCC(N2CC(=O)N[C@H](C)C2)CC1 ZINC001258802964 991804069 /nfs/dbraw/zinc/80/40/69/991804069.db2.gz HQYNJPAJGNAEND-PNESKVBLSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)[C@H]1C ZINC001566247228 991831429 /nfs/dbraw/zinc/83/14/29/991831429.db2.gz CLWWJXRFKMFNPW-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)CC(C)(C)CNC(=O)c1[nH]ncc1F ZINC001566223680 991832651 /nfs/dbraw/zinc/83/26/51/991832651.db2.gz KCHFOLMRNNVYGL-UHFFFAOYSA-N 0 1 241.310 2.351 20 0 BEADMN CCCN1CCCC[C@@H]1C(=O)OCCCF ZINC001319422670 991864698 /nfs/dbraw/zinc/86/46/98/991864698.db2.gz PHSWWAPGWSPQRO-LLVKDONJSA-N 0 1 231.311 2.154 20 0 BEADMN CC[C@H](Cc1ccccc1)N1CC(C)(O)C1 ZINC001258843581 991875860 /nfs/dbraw/zinc/87/58/60/991875860.db2.gz FQRYXLNAFFPJSD-CYBMUJFWSA-N 0 1 219.328 2.074 20 0 BEADMN CC[C@@H](Cc1ccccc1)N1CC2(CCO2)C1 ZINC001258852070 991882722 /nfs/dbraw/zinc/88/27/22/991882722.db2.gz XMAQBKOZIASCFU-AWEZNQCLSA-N 0 1 231.339 2.482 20 0 BEADMN COc1ccccc1C[C@@H](C)NCc1ncco1 ZINC001258877710 991886844 /nfs/dbraw/zinc/88/68/44/991886844.db2.gz YDZFANBLLZIJRQ-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN Cc1coc(C)c1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC001259027994 991908988 /nfs/dbraw/zinc/90/89/88/991908988.db2.gz UKPZJVRXVDUBSJ-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1coc(C)c1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC001259027994 991908998 /nfs/dbraw/zinc/90/89/98/991908998.db2.gz UKPZJVRXVDUBSJ-UHFFFAOYSA-N 0 1 248.286 2.390 20 0 BEADMN Cc1nnc(SCCc2csc(C)n2)[nH]1 ZINC001319661212 991920761 /nfs/dbraw/zinc/92/07/61/991920761.db2.gz WPZWNTRYBMVRKJ-UHFFFAOYSA-N 0 1 240.357 2.213 20 0 BEADMN Cc1cc(C)c(C(=O)Nc2nc(C(C)C)n[nH]2)[nH]1 ZINC001319655081 991921567 /nfs/dbraw/zinc/92/15/67/991921567.db2.gz MUHLCQDXXMCUFT-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN Cc1cc(C)c(C(=O)Nc2n[nH]c(C(C)C)n2)[nH]1 ZINC001319655081 991921581 /nfs/dbraw/zinc/92/15/81/991921581.db2.gz MUHLCQDXXMCUFT-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)[nH]n1 ZINC001319711971 991949158 /nfs/dbraw/zinc/94/91/58/991949158.db2.gz NFZYKRQEMVHTIO-UWVGGRQHSA-N 0 1 225.361 2.044 20 0 BEADMN CCC(=O)NCCN(C)C/C=C\c1ccccc1 ZINC001567266697 991980272 /nfs/dbraw/zinc/98/02/72/991980272.db2.gz MSULVAVLKZMJJG-YFHOEESVSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cc(CN2CCS[C@H](C(C)C)C2)[nH]n1 ZINC001319829466 991997159 /nfs/dbraw/zinc/99/71/59/991997159.db2.gz WRRSVPFULOULKR-LBPRGKRZSA-N 0 1 239.388 2.292 20 0 BEADMN Cc1cc(CN2CCS[C@H](C(C)C)C2)n[nH]1 ZINC001319829466 991997179 /nfs/dbraw/zinc/99/71/79/991997179.db2.gz WRRSVPFULOULKR-LBPRGKRZSA-N 0 1 239.388 2.292 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C(C)C)C2)[nH]n1 ZINC001319829465 991999348 /nfs/dbraw/zinc/99/93/48/991999348.db2.gz WRRSVPFULOULKR-GFCCVEGCSA-N 0 1 239.388 2.292 20 0 BEADMN Cc1cc(CN2CCS[C@@H](C(C)C)C2)n[nH]1 ZINC001319829465 991999362 /nfs/dbraw/zinc/99/93/62/991999362.db2.gz WRRSVPFULOULKR-GFCCVEGCSA-N 0 1 239.388 2.292 20 0 BEADMN Cc1c(C(=O)NC[C@@H]2C[C@@H]2C)ccc2cncn21 ZINC001319872152 992011598 /nfs/dbraw/zinc/01/15/98/992011598.db2.gz UUXWSWLATZLQAZ-ONGXEEELSA-N 0 1 243.310 2.029 20 0 BEADMN O=C1[C@H](c2ccccc2)CCN1CN1CCCC1 ZINC001319880363 992017232 /nfs/dbraw/zinc/01/72/32/992017232.db2.gz UMGLXNBRBUJHJH-AWEZNQCLSA-N 0 1 244.338 2.056 20 0 BEADMN Cc1n[nH]c(=O)c(CN[C@@H](C)c2ccco2)c1C ZINC001319896700 992025227 /nfs/dbraw/zinc/02/52/27/992025227.db2.gz SPYBSONXLMFRHH-JTQLQIEISA-N 0 1 247.298 2.243 20 0 BEADMN C[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2F)C[C@@H]1C ZINC001567392774 992027358 /nfs/dbraw/zinc/02/73/58/992027358.db2.gz MFUADPCXHSWTAB-HRDYMLBCSA-N 0 1 239.294 2.103 20 0 BEADMN Cc1c(C(=O)N2CC=CCC2)ccc2cncn21 ZINC001319992277 992065804 /nfs/dbraw/zinc/06/58/04/992065804.db2.gz QQRZJEXJZZSHEI-UHFFFAOYSA-N 0 1 241.294 2.045 20 0 BEADMN CC[C@@H]1CN(Cc2ncoc2C(C)C)C[C@H]1O ZINC001319997524 992067243 /nfs/dbraw/zinc/06/72/43/992067243.db2.gz UJQOHPFXNCQRFA-ZYHUDNBSSA-N 0 1 238.331 2.001 20 0 BEADMN CCCN(C(C)=O)[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001567677788 992072565 /nfs/dbraw/zinc/07/25/65/992072565.db2.gz KWVAGHLEILHEDT-STQMWFEESA-N 0 1 244.354 2.067 20 0 BEADMN C[C@H]1CCN(CN2CCC2=O)[C@@H]1c1ccccc1 ZINC001332168020 992079010 /nfs/dbraw/zinc/07/90/10/992079010.db2.gz FWILFZOCJFSTTM-WFASDCNBSA-N 0 1 244.338 2.259 20 0 BEADMN CC[C@@H](C)CN1CC(NC(=O)C(C)(C)CC)C1 ZINC001567805319 992099964 /nfs/dbraw/zinc/09/99/64/992099964.db2.gz WJKXNTLHDSSADC-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc(CN(C)[C@H](C)c2ccncc2)n[nH]1 ZINC001320139899 992115387 /nfs/dbraw/zinc/11/53/87/992115387.db2.gz NWWAYCAWKIAOJM-LLVKDONJSA-N 0 1 230.315 2.306 20 0 BEADMN CCN(CC(F)F)C(=O)c1cnc(C(C)C)[nH]1 ZINC001320248791 992145798 /nfs/dbraw/zinc/14/57/98/992145798.db2.gz JRVICUMVSPMXFE-UHFFFAOYSA-N 0 1 245.273 2.260 20 0 BEADMN CC(C)C[N@@H+](C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591286914 992227118 /nfs/dbraw/zinc/22/71/18/992227118.db2.gz BMYQKMLXDJCRPC-QMMMGPOBSA-N 0 1 242.344 2.490 20 0 BEADMN Fc1cc(CNC/C=C/C2CC2)c(F)cn1 ZINC001261255957 992227905 /nfs/dbraw/zinc/22/79/05/992227905.db2.gz QJAJASIWIMEQIX-OWOJBTEDSA-N 0 1 224.254 2.416 20 0 BEADMN CC(C)c1ncc(C(=O)N2CCC=C(F)C2)[nH]1 ZINC001320886916 992390209 /nfs/dbraw/zinc/39/02/09/992390209.db2.gz ZUEXJVBCKWKTJY-UHFFFAOYSA-N 0 1 237.278 2.232 20 0 BEADMN O=C(OCc1nnc[nH]1)c1sccc1C1CC1 ZINC001261582851 992402773 /nfs/dbraw/zinc/40/27/73/992402773.db2.gz HATBWHIIHPSDOP-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)OCc1nnc[nH]1 ZINC001261582944 992404750 /nfs/dbraw/zinc/40/47/50/992404750.db2.gz KESOEKSDCHVSBS-NXEZZACHSA-N 0 1 237.303 2.064 20 0 BEADMN O=C(OCc1nnc[nH]1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001261589276 992413392 /nfs/dbraw/zinc/41/33/92/992413392.db2.gz ABRIJARVSUDBBD-WDEREUQCSA-N 0 1 249.314 2.064 20 0 BEADMN CC[C@H]1c2ccsc2CCN1Cc1nnc[nH]1 ZINC001261636806 992431341 /nfs/dbraw/zinc/43/13/41/992431341.db2.gz WRCQLBZNUWUGFG-JTQLQIEISA-N 0 1 248.355 2.376 20 0 BEADMN CO[C@@H](CSCc1nnc[nH]1)c1ccccc1 ZINC001261657789 992450441 /nfs/dbraw/zinc/45/04/41/992450441.db2.gz MESLJZMRIGYLAU-NSHDSACASA-N 0 1 249.339 2.426 20 0 BEADMN CO[C@H](CSCc1nnc[nH]1)c1ccccc1 ZINC001261657788 992451502 /nfs/dbraw/zinc/45/15/02/992451502.db2.gz MESLJZMRIGYLAU-LLVKDONJSA-N 0 1 249.339 2.426 20 0 BEADMN Cc1cc(CN2CCOc3ccccc32)n[nH]1 ZINC001321183787 992479242 /nfs/dbraw/zinc/47/92/42/992479242.db2.gz FGNSBQBILWCAPM-UHFFFAOYSA-N 0 1 229.283 2.117 20 0 BEADMN C[N@H+](Cc1ccc(C(=O)[O-])cn1)CC1CC=CC1 ZINC001598515049 992608109 /nfs/dbraw/zinc/60/81/09/992608109.db2.gz CBKYJFVGZFPMEO-UHFFFAOYSA-N 0 1 246.310 2.178 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CC12CCC2 ZINC001262047702 992631471 /nfs/dbraw/zinc/63/14/71/992631471.db2.gz VXDNTARJTCDHPV-CHWSQXEVSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@H]1CC/C(=C/C(=O)NCc2cc(N)ccn2)C1 ZINC001262048558 992631812 /nfs/dbraw/zinc/63/18/12/992631812.db2.gz WWGZBDZINWHQDB-QBQSQJOESA-N 0 1 245.326 2.026 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC12CCC2 ZINC001262047703 992632193 /nfs/dbraw/zinc/63/21/93/992632193.db2.gz VXDNTARJTCDHPV-OLZOCXBDSA-N 0 1 244.338 2.054 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CC12CCC2 ZINC001262047704 992632428 /nfs/dbraw/zinc/63/24/28/992632428.db2.gz VXDNTARJTCDHPV-QWHCGFSZSA-N 0 1 244.338 2.054 20 0 BEADMN C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573589710 992644039 /nfs/dbraw/zinc/64/40/39/992644039.db2.gz IROYHZJCECIXKQ-SUZMYJTESA-N 0 1 249.310 2.106 20 0 BEADMN C[N@@H+](Cc1cccc2cc[nH]c21)C(C)(C)C(=O)[O-] ZINC001598527144 992734797 /nfs/dbraw/zinc/73/47/97/992734797.db2.gz TYFGOWKTILZMQL-UHFFFAOYSA-N 0 1 246.310 2.463 20 0 BEADMN Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001574128344 992810257 /nfs/dbraw/zinc/81/02/57/992810257.db2.gz BWQGDHHYNYVMDA-UONOGXRCSA-N 0 1 247.338 2.456 20 0 BEADMN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1cn[nH]c1 ZINC001262258712 992824361 /nfs/dbraw/zinc/82/43/61/992824361.db2.gz QVBCDUVLBHNAQG-IUCAKERBSA-N 0 1 234.278 2.356 20 0 BEADMN COC[C@@H]1CCCCN([C@H](C)c2ncccn2)C1 ZINC001262261327 992827442 /nfs/dbraw/zinc/82/74/42/992827442.db2.gz KZIAXUORYWBORZ-CHWSQXEVSA-N 0 1 249.358 2.286 20 0 BEADMN Cc1cc(C)c2c(c1)CC[N@H+]([C@@H](C)C(=O)[O-])C2 ZINC001574321744 992847414 /nfs/dbraw/zinc/84/74/14/992847414.db2.gz FPWIYHADUXFYLL-NSHDSACASA-N 0 1 233.311 2.135 20 0 BEADMN C[C@@H]1CC=CC[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC001262350119 992853899 /nfs/dbraw/zinc/85/38/99/992853899.db2.gz JBPYJKNEVYZIJL-GHMZBOCLSA-N 0 1 247.342 2.158 20 0 BEADMN C[N@@H+](CC(=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001574558853 992879702 /nfs/dbraw/zinc/87/97/02/992879702.db2.gz ILGGBUBXSSGYLT-ZJUUUORDSA-N 0 1 213.321 2.218 20 0 BEADMN CC1CC(C[N@@H+](Cc2cnn[n-]2)C(C)(C)C)C1 ZINC001576037101 993162553 /nfs/dbraw/zinc/16/25/53/993162553.db2.gz ALTQJMUEMLGZNU-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN C[C@@H](N)c1nnn(CCC2CCCCCC2)n1 ZINC001576174951 993201876 /nfs/dbraw/zinc/20/18/76/993201876.db2.gz ABGHTCLJEGWRJS-SNVBAGLBSA-N 0 1 237.351 2.053 20 0 BEADMN CC[C@H](NC/C=C/C1CC1)c1nccn1C ZINC000378847002 993208575 /nfs/dbraw/zinc/20/85/75/993208575.db2.gz ALTTVOBZVAFHBN-ITKZLYELSA-N 0 1 219.332 2.427 20 0 BEADMN Cc1cnc(NCc2nccn2C)c(C)c1 ZINC000381374982 993388396 /nfs/dbraw/zinc/38/83/96/993388396.db2.gz JKQNLCREYFECBT-UHFFFAOYSA-N 0 1 216.288 2.044 20 0 BEADMN Cc1nc(CN[C@@H]2C[C@@H](O)C2(C)C)c(C)s1 ZINC000381428151 993395197 /nfs/dbraw/zinc/39/51/97/993395197.db2.gz ZOTQBYQZJFIBCI-GHMZBOCLSA-N 0 1 240.372 2.009 20 0 BEADMN CCOC1CC(N[C@H](C)c2nnc(C)s2)C1 ZINC000381465892 993398169 /nfs/dbraw/zinc/39/81/69/993398169.db2.gz MPFJJWZDLRGCKJ-CUUXFQNZSA-N 0 1 241.360 2.065 20 0 BEADMN COc1ccnc(N[C@@H]2CCO[C@H](C)C2)c1 ZINC000381570167 993407271 /nfs/dbraw/zinc/40/72/71/993407271.db2.gz WUYFRRIWARSUFK-NXEZZACHSA-N 0 1 222.288 2.070 20 0 BEADMN CCC[C@](C)(CC)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001577325277 993590110 /nfs/dbraw/zinc/59/01/10/993590110.db2.gz VTWOEMCWHQTUME-OBJOEFQTSA-N 0 1 240.391 2.412 20 0 BEADMN CCOc1ccccc1-c1noc([C@H]2CCN2)n1 ZINC000384741433 993619566 /nfs/dbraw/zinc/61/95/66/993619566.db2.gz FJHAHVVBAFQMOG-SNVBAGLBSA-N 0 1 245.282 2.170 20 0 BEADMN COc1cc(C)ccc1-c1noc([C@@H]2CCN2)n1 ZINC000384760674 993621807 /nfs/dbraw/zinc/62/18/07/993621807.db2.gz VWMFWNPGNWTLPQ-JTQLQIEISA-N 0 1 245.282 2.088 20 0 BEADMN Clc1cccc(-c2noc([C@@H]3CCN3)n2)c1 ZINC000384750502 993622108 /nfs/dbraw/zinc/62/21/08/993622108.db2.gz NNVVZDZBQUHDOO-VIFPVBQESA-N 0 1 235.674 2.424 20 0 BEADMN CCc1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC000384778844 993624786 /nfs/dbraw/zinc/62/47/86/993624786.db2.gz LWJWPOQFEFMPBK-NSHDSACASA-N 0 1 229.283 2.333 20 0 BEADMN Cc1cc(F)cc(-c2noc([C@@H]3CCN3)n2)c1 ZINC000384797963 993626572 /nfs/dbraw/zinc/62/65/72/993626572.db2.gz BHKJHYFERZCSTO-JTQLQIEISA-N 0 1 233.246 2.219 20 0 BEADMN CC[C@@H](O)CN[C@H](CF)c1ccccc1 ZINC000389958478 993770823 /nfs/dbraw/zinc/77/08/23/993770823.db2.gz VDYLWPYWMWKANP-VXGBXAGGSA-N 0 1 211.280 2.058 20 0 BEADMN c1cc2cccc(CNCc3cnccn3)c2[nH]1 ZINC000700542512 993840678 /nfs/dbraw/zinc/84/06/78/993840678.db2.gz VQYIZJJEKJQZKB-UHFFFAOYSA-N 0 1 238.294 2.248 20 0 BEADMN CCCO[C@H]1CCN(Cc2cccnc2NC)C1 ZINC000701679620 993899065 /nfs/dbraw/zinc/89/90/65/993899065.db2.gz QLRWCMGYHOMKHP-ZDUSSCGKSA-N 0 1 249.358 2.124 20 0 BEADMN Cc1cccc2nc(-c3cccnn3)[nH]c21 ZINC000701794619 993910705 /nfs/dbraw/zinc/91/07/05/993910705.db2.gz HKOILWQEJVULEQ-UHFFFAOYSA-N 0 1 210.240 2.328 20 0 BEADMN C(=C\C1CC1)\CNCc1cn2ccccc2n1 ZINC000393617223 993974875 /nfs/dbraw/zinc/97/48/75/993974875.db2.gz MCBFOWPNRSNZFL-ARJAWSKDSA-N 0 1 227.311 2.390 20 0 BEADMN CCN(Cc1cnc(C)[nH]1)CC(F)(F)F ZINC000724784468 994078539 /nfs/dbraw/zinc/07/85/39/994078539.db2.gz CPMOPBRZZZZLIV-UHFFFAOYSA-N 0 1 221.226 2.102 20 0 BEADMN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])co1)c1cn[nH]c1 ZINC001593197636 994163902 /nfs/dbraw/zinc/16/39/02/994163902.db2.gz KJGDSSGRRAQDTJ-SFYZADRCSA-N 0 1 249.270 2.113 20 0 BEADMN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(C(=O)[O-])co1 ZINC001593197635 994163954 /nfs/dbraw/zinc/16/39/54/994163954.db2.gz KJGDSSGRRAQDTJ-JGVFFNPUSA-N 0 1 249.270 2.113 20 0 BEADMN C[C@@H]([NH2+][C@@H](C)c1ccc(C(=O)[O-])o1)c1cn[nH]c1 ZINC001593198893 994175811 /nfs/dbraw/zinc/17/58/11/994175811.db2.gz VINGNODPKVZJPI-SFYZADRCSA-N 0 1 249.270 2.113 20 0 BEADMN C[C@@H]([NH2+]CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593240727 994431869 /nfs/dbraw/zinc/43/18/69/994431869.db2.gz RXVHJIQDECMKJF-SSDOTTSWSA-N 0 1 242.344 2.176 20 0 BEADMN Cc1ccc(CNC(=O)c2cccc(F)c2O)o1 ZINC001287339187 994435463 /nfs/dbraw/zinc/43/54/63/994435463.db2.gz FKMRLKMUTULMCQ-UHFFFAOYSA-N 0 1 249.241 2.363 20 0 BEADMN C[C@H](NC(=O)C=C1CC[C@H](C)C1)c1ncc[nH]1 ZINC001306847665 994534758 /nfs/dbraw/zinc/53/47/58/994534758.db2.gz RNCUQQQGLZHNIJ-CWIHFQEBSA-N 0 1 233.315 2.333 20 0 BEADMN CCC[C@@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001291662295 994585126 /nfs/dbraw/zinc/58/51/26/994585126.db2.gz ZWKHMPZYSZVIRB-SECBINFHSA-N 0 1 231.299 2.481 20 0 BEADMN Cc1[nH]ncc1CN(C)c1nc2ccccc2o1 ZINC001307149536 994617995 /nfs/dbraw/zinc/61/79/95/994617995.db2.gz MBZCUFVKEIQWIB-UHFFFAOYSA-N 0 1 242.282 2.496 20 0 BEADMN COCn1ncc(C)c1CN1CC[C@H]1C(C)C ZINC001334933938 994656133 /nfs/dbraw/zinc/65/61/33/994656133.db2.gz AUNNKBARTXWCNJ-LBPRGKRZSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1cc(CCC(=O)N2CC[C@@H](C(C)C)C2)n[nH]1 ZINC001294587351 994700681 /nfs/dbraw/zinc/70/06/81/994700681.db2.gz CXZRUMOBUHYZSW-GFCCVEGCSA-N 0 1 249.358 2.155 20 0 BEADMN CCC(CC)(CC)CNC(=O)CN1CCCC1 ZINC001294955713 994726873 /nfs/dbraw/zinc/72/68/73/994726873.db2.gz ZQAWXPSZKADWSX-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001296701596 994828258 /nfs/dbraw/zinc/82/82/58/994828258.db2.gz OXOYEBAINIUQIW-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)[C@H]1C ZINC001296701596 994828265 /nfs/dbraw/zinc/82/82/65/994828265.db2.gz OXOYEBAINIUQIW-XQQFMLRXSA-N 0 1 238.375 2.118 20 0 BEADMN O=C(Nc1ccc(F)c(F)c1O)c1ccc[nH]1 ZINC001299041101 994971344 /nfs/dbraw/zinc/97/13/44/994971344.db2.gz PVQMIRHKJIGLJH-UHFFFAOYSA-N 0 1 238.193 2.251 20 0 BEADMN CCN1CC[C@@H]1C(=O)N1CC=CC12CCCCC2 ZINC001301575904 995092678 /nfs/dbraw/zinc/09/26/78/995092678.db2.gz KIJVQTZOPIBZLO-CYBMUJFWSA-N 0 1 248.370 2.182 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1CCCS1 ZINC001304166416 995195666 /nfs/dbraw/zinc/19/56/66/995195666.db2.gz XZZTXDRJHONSSQ-LLVKDONJSA-N 0 1 247.323 2.168 20 0 BEADMN Cc1nccc(NCc2ccc3nc[nH]c3c2)n1 ZINC001307165624 995299748 /nfs/dbraw/zinc/29/97/48/995299748.db2.gz NWUSEWWJHBQPLC-UHFFFAOYSA-N 0 1 239.282 2.273 20 0 BEADMN CCCN1CC[N@@H+](CCC(C)C)C(C)(C)C1=O ZINC001307702758 995437234 /nfs/dbraw/zinc/43/72/34/995437234.db2.gz QIULPSGRMQFWRT-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CCCN1CCN(CCC(C)C)C(C)(C)C1=O ZINC001307702758 995437238 /nfs/dbraw/zinc/43/72/38/995437238.db2.gz QIULPSGRMQFWRT-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)N(C[C@H]1CCCC(C)(C)O1)C1COC1 ZINC001307792756 995466007 /nfs/dbraw/zinc/46/60/07/995466007.db2.gz GANTVDNADIABMA-CYBMUJFWSA-N 0 1 241.375 2.443 20 0 BEADMN CC[C@H](C)[C@H](C)N(C)Cc1nnc(C)o1 ZINC001307916507 995498159 /nfs/dbraw/zinc/49/81/59/995498159.db2.gz FCWKUMMIFAQIQF-IUCAKERBSA-N 0 1 211.309 2.244 20 0 BEADMN CC(C)[C@@H](O)CN1CCCC[C@H]1c1ncccn1 ZINC001308046825 995534406 /nfs/dbraw/zinc/53/44/06/995534406.db2.gz BUWURHBCPOGMIX-STQMWFEESA-N 0 1 249.358 2.021 20 0 BEADMN CCCCCCN(C)Cc1ccn(C)n1 ZINC001308151357 995571514 /nfs/dbraw/zinc/57/15/14/995571514.db2.gz LSEBQUCVHHJNRP-UHFFFAOYSA-N 0 1 209.337 2.432 20 0 BEADMN Cc1ncc(CNC2([C@H]3CCCO3)CCC2)o1 ZINC001308159166 995579139 /nfs/dbraw/zinc/57/91/39/995579139.db2.gz BAMSVTGQEQYBJA-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN Cc1[nH]c(C[N@H+]2CC(C)=C[C@H](C)C2)cc1C(=O)[O-] ZINC001594109888 998200446 /nfs/dbraw/zinc/20/04/46/998200446.db2.gz LIKCHGJVFKIPRJ-VIFPVBQESA-N 0 1 248.326 2.419 20 0 BEADMN C[C@@H]1C[C@@H](C)[NH+]1[C@@H](C(=O)[O-])c1ccccc1F ZINC001594231022 998877869 /nfs/dbraw/zinc/87/78/69/998877869.db2.gz QCYDXZSSJYFDQV-KBVBSXBZSA-N 0 1 237.274 2.434 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(C(=O)[O-])s2)C1 ZINC001594231389 998879952 /nfs/dbraw/zinc/87/99/52/998879952.db2.gz SZDBJCFTJLEKLM-HTQZYQBOSA-N 0 1 240.328 2.072 20 0 BEADMN C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)[O-])C1 ZINC001594268694 999038979 /nfs/dbraw/zinc/03/89/79/999038979.db2.gz ABSIDTMMUNFMNP-JQWIXIFHSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1C(=O)[O-] ZINC001594275436 999065486 /nfs/dbraw/zinc/06/54/86/999065486.db2.gz RJVVRRCGXLEANP-KWQFWETISA-N 0 1 248.282 2.039 20 0 BEADMN C[C@H]1CC2(CCC2)C[N@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC001594282413 999091961 /nfs/dbraw/zinc/09/19/61/999091961.db2.gz GMSYPNFCUGSUNZ-JTQLQIEISA-N 0 1 248.326 2.477 20 0 BEADMN C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001594367715 999389832 /nfs/dbraw/zinc/38/98/32/999389832.db2.gz UWLKZSFMUVRUSF-WYUUTHIRSA-N 0 1 243.322 2.310 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001594371797 999403061 /nfs/dbraw/zinc/40/30/61/999403061.db2.gz GSCYONCTAYOFKB-KXUCPTDWSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H]1CCCCC[N@H+]1C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001594371798 999403125 /nfs/dbraw/zinc/40/31/25/999403125.db2.gz GSCYONCTAYOFKB-OPRDCNLKSA-N 0 1 247.285 2.217 20 0 BEADMN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@H](C)C1 ZINC001594413110 999543832 /nfs/dbraw/zinc/54/38/32/999543832.db2.gz XVTHSTVMOBCLLR-YUMQZZPRSA-N 0 1 240.328 2.244 20 0 BEADMN CC(C)c1ncc(CNC(=O)OCCCF)[nH]1 ZINC001464646713 1170039723 /nfs/dbraw/zinc/03/97/23/1170039723.db2.gz SMOULSVTTYYVRK-UHFFFAOYSA-N 0 1 243.282 2.119 20 0 BEADMN Cc1nc[nH]c1C(=O)OCC1(C(C)C)CC1 ZINC001514997809 1170058932 /nfs/dbraw/zinc/05/89/32/1170058932.db2.gz UJUPAERQLQKZTH-UHFFFAOYSA-N 0 1 222.288 2.311 20 0 BEADMN C[C@H](Cc1ccno1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC001621336761 1170198613 /nfs/dbraw/zinc/19/86/13/1170198613.db2.gz IOPUINTZIHSTDG-CKYFFXLPSA-N 0 1 246.314 2.098 20 0 BEADMN O=C([O-])c1cc[nH+]c(N2CC[C@H](C3CCC3)C2)c1 ZINC001608952420 1170209474 /nfs/dbraw/zinc/20/94/74/1170209474.db2.gz UZJGSVJNQQONGV-LBPRGKRZSA-N 0 1 246.310 2.406 20 0 BEADMN CC(C)=CC[NH2+]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001609682155 1170276072 /nfs/dbraw/zinc/27/60/72/1170276072.db2.gz RQSKYSGBWRSTIP-UHFFFAOYSA-N 0 1 238.287 2.164 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001609906480 1170316529 /nfs/dbraw/zinc/31/65/29/1170316529.db2.gz UJHPGHCUKXPSPE-SNVBAGLBSA-N 0 1 238.331 2.201 20 0 BEADMN CC[C@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001609906477 1170315444 /nfs/dbraw/zinc/31/54/44/1170315444.db2.gz UJHPGHCUKXPSPE-JTQLQIEISA-N 0 1 238.331 2.201 20 0 BEADMN CCOC[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C ZINC001610035812 1170341098 /nfs/dbraw/zinc/34/10/98/1170341098.db2.gz UDLBHPNBEJRISL-LLVKDONJSA-N 0 1 245.363 2.234 20 0 BEADMN CCc1oc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001610078182 1170347017 /nfs/dbraw/zinc/34/70/17/1170347017.db2.gz KFCCNVBUABDGEK-IUCAKERBSA-N 0 1 237.299 2.380 20 0 BEADMN Cc1c(C(=O)[O-])cc(C[N@H+]2CCC2(C)C)n1C ZINC001610407006 1170377770 /nfs/dbraw/zinc/37/77/70/1170377770.db2.gz GUPPARLDSVVAAY-UHFFFAOYSA-N 0 1 236.315 2.016 20 0 BEADMN Cn1cc(C[N@H+]2CCC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001610602470 1170388689 /nfs/dbraw/zinc/38/86/89/1170388689.db2.gz DMZOBMSKBQBLTL-GFCCVEGCSA-N 0 1 248.326 2.098 20 0 BEADMN CC(C)CCC(=O)N1CCN(C2CC2)C[C@H]1C ZINC001611461721 1170437816 /nfs/dbraw/zinc/43/78/16/1170437816.db2.gz ZOUKFUIYHGZZDB-GFCCVEGCSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)(C)OC1CCN(CC2=NOCC2)CC1 ZINC001616323356 1170547946 /nfs/dbraw/zinc/54/79/46/1170547946.db2.gz UPCWUCYCMZAWHW-UHFFFAOYSA-N 0 1 240.347 2.042 20 0 BEADMN Cc1cccnc1CN1CC[C@H]2[C@@H](C1)C2(F)F ZINC001616468411 1170558149 /nfs/dbraw/zinc/55/81/49/1170558149.db2.gz YDUVNOWIRGZNQU-WDEREUQCSA-N 0 1 238.281 2.477 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](CC)[C@@H]2C)n[nH]1 ZINC001616975370 1170574163 /nfs/dbraw/zinc/57/41/63/1170574163.db2.gz QJVKNBGMNUTKMM-UWVGGRQHSA-N 0 1 235.331 2.233 20 0 BEADMN CCc1cc(C(=O)N2CC[C@H](CC)[C@H]2C)n[nH]1 ZINC001616975373 1170574706 /nfs/dbraw/zinc/57/47/06/1170574706.db2.gz QJVKNBGMNUTKMM-ZJUUUORDSA-N 0 1 235.331 2.233 20 0 BEADMN Oc1ccc2c(c1)CN(C[C@H]1CCCC[C@H]1O)C2 ZINC001620434897 1170668495 /nfs/dbraw/zinc/66/84/95/1170668495.db2.gz JDPWNKXZECDAST-IUODEOHRSA-N 0 1 247.338 2.259 20 0 BEADMN Cc1cc([C@H]2CCCCN2CCF)n[nH]1 ZINC001620614779 1170688935 /nfs/dbraw/zinc/68/89/35/1170688935.db2.gz BYCMUNMFMHBJCX-LLVKDONJSA-N 0 1 211.284 2.215 20 0 BEADMN C[C@H]([NH2+]Cc1cc(=O)[n-]c(C2CC2)n1)C1(C)CC1 ZINC001620640762 1170690924 /nfs/dbraw/zinc/69/09/24/1170690924.db2.gz AZBSKHVVCMHVAC-VIFPVBQESA-N 0 1 247.342 2.338 20 0 BEADMN CCC[C@H]1CCC[N@H+]1Cc1nc(C2CC2)nn1C ZINC001620643552 1170694917 /nfs/dbraw/zinc/69/49/17/1170694917.db2.gz JQJKYXMOCRXGHF-LBPRGKRZSA-N 0 1 248.374 2.457 20 0 BEADMN CCC[C@H]1CCCN1Cc1nc(C2CC2)nn1C ZINC001620643552 1170694920 /nfs/dbraw/zinc/69/49/20/1170694920.db2.gz JQJKYXMOCRXGHF-LBPRGKRZSA-N 0 1 248.374 2.457 20 0 BEADMN CC(C)(C)[C@@H]1CCN(Cc2cn[nH]c2)CCO1 ZINC001620681251 1170699241 /nfs/dbraw/zinc/69/92/41/1170699241.db2.gz GHWLQILRPOBBMC-LBPRGKRZSA-N 0 1 237.347 2.047 20 0 BEADMN Nc1c(F)cccc1CNC/C=C/Cl ZINC001621096364 1170712704 /nfs/dbraw/zinc/71/27/04/1170712704.db2.gz NEAYJQAFOTWORQ-GORDUTHDSA-N 0 1 214.671 2.250 20 0 BEADMN C[C@H]1CCN(Cc2cccn2C(F)F)C[C@@H]1O ZINC001621313373 1170772330 /nfs/dbraw/zinc/77/23/30/1170772330.db2.gz YZYYDHKSOLTPGZ-ONGXEEELSA-N 0 1 244.285 2.086 20 0 BEADMN C[C@@H]1CCN(Cc2cccn2C(F)F)C[C@@H]1O ZINC001621313371 1170770374 /nfs/dbraw/zinc/77/03/74/1170770374.db2.gz YZYYDHKSOLTPGZ-KOLCDFICSA-N 0 1 244.285 2.086 20 0 BEADMN CC[C@H](NCc1ncccc1F)[C@H](O)C(C)C ZINC001621392733 1170795229 /nfs/dbraw/zinc/79/52/29/1170795229.db2.gz CDZRIZUZVQKIMW-WCQYABFASA-N 0 1 240.322 2.106 20 0 BEADMN CCC[C@H](C)[C@@H](CO)NCc1ncccc1F ZINC001621422843 1170807194 /nfs/dbraw/zinc/80/71/94/1170807194.db2.gz FLYDZHDCWUCYAF-GXFFZTMASA-N 0 1 240.322 2.107 20 0 BEADMN CCC(O)(CC)CN(C)Cc1ncccc1F ZINC001621467281 1170821598 /nfs/dbraw/zinc/82/15/98/1170821598.db2.gz OOEMYRZJHQGBLN-UHFFFAOYSA-N 0 1 240.322 2.204 20 0 BEADMN CC(=O)c1cccc(OC2CCN(C)CC2)c1 ZINC000031978614 1170881096 /nfs/dbraw/zinc/88/10/96/1170881096.db2.gz QVTQBYJJUMSVEV-UHFFFAOYSA-N 0 1 233.311 2.362 20 0 BEADMN CC(C)n1c2ccc(F)cc2nc1CN ZINC000037439666 1170946791 /nfs/dbraw/zinc/94/67/91/1170946791.db2.gz YJTGRQFBQSVVDM-UHFFFAOYSA-N 0 1 207.252 2.215 20 0 BEADMN CS/C=C/C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC001624739945 1171054757 /nfs/dbraw/zinc/05/47/57/1171054757.db2.gz IERHZXUZXNVJLO-SNAWJCMRSA-N 0 1 249.295 2.084 20 0 BEADMN CN(C(=O)c1ccc(Cl)c(O)c1)C1CC1 ZINC001626861323 1171141290 /nfs/dbraw/zinc/14/12/90/1171141290.db2.gz QUZCYJYYMRLBPE-UHFFFAOYSA-N 0 1 225.675 2.280 20 0 BEADMN NCc1nccnc1NCc1cccc(Cl)c1 ZINC001649218774 1171215774 /nfs/dbraw/zinc/21/57/74/1171215774.db2.gz WABCIRPBLRHZOF-UHFFFAOYSA-N 0 1 248.717 2.201 20 0 BEADMN CC(C)ONC(=O)c1ccc(Cl)c(O)c1 ZINC001628582339 1171251357 /nfs/dbraw/zinc/25/13/57/1171251357.db2.gz GUMHSVXWHZDAEL-UHFFFAOYSA-N 0 1 229.663 2.115 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1cc(C(C)C)on1 ZINC001628951635 1171270811 /nfs/dbraw/zinc/27/08/11/1171270811.db2.gz GDUYCWYVYOJKFV-UHFFFAOYSA-N 0 1 234.259 2.082 20 0 BEADMN Cc1cccnc1-c1noc(C2(N)CCCC2)n1 ZINC000043616090 1171307834 /nfs/dbraw/zinc/30/78/34/1171307834.db2.gz PPUDALNSQZFZAI-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN COC(=O)[C@H](C)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000043640905 1171312165 /nfs/dbraw/zinc/31/21/65/1171312165.db2.gz JSJVQICKBUCVLC-GARJFASQSA-N 0 1 213.321 2.058 20 0 BEADMN C=C/C=C/CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC001629890411 1171352907 /nfs/dbraw/zinc/35/29/07/1171352907.db2.gz HYKKTNOBMXZLMM-PGLGOXFNSA-N 0 1 231.299 2.036 20 0 BEADMN C=C/C=C/CC(=O)Nc1ccc2[nH]nnc2c1 ZINC001630640670 1171410251 /nfs/dbraw/zinc/41/02/51/1171410251.db2.gz OYRSHAVWOHCKNF-ONEGZZNKSA-N 0 1 228.255 2.029 20 0 BEADMN CN(C(=O)c1ncccc1O)c1ccsc1 ZINC001631462684 1171455610 /nfs/dbraw/zinc/45/56/10/1171455610.db2.gz OMZXVKHINPBBHO-UHFFFAOYSA-N 0 1 234.280 2.125 20 0 BEADMN CCC[C@H](CC)NC(=O)CCN1CC[C@H](F)C1 ZINC001631827001 1171480299 /nfs/dbraw/zinc/48/02/99/1171480299.db2.gz GAPVEXOYPUCHEO-RYUDHWBXSA-N 0 1 244.354 2.115 20 0 BEADMN Cc1cc(CCC(=O)N[C@]23C[C@H]2CCCC3)n[nH]1 ZINC001632049103 1171492575 /nfs/dbraw/zinc/49/25/75/1171492575.db2.gz XOAJRXNUEZXQEH-BXUZGUMPSA-N 0 1 247.342 2.100 20 0 BEADMN Cc1cc(CCC(=O)NCC2CC(C)(C)C2)n[nH]1 ZINC001633167882 1171560381 /nfs/dbraw/zinc/56/03/81/1171560381.db2.gz UXFICUUBVRROQL-UHFFFAOYSA-N 0 1 249.358 2.203 20 0 BEADMN CCN(CC(=O)OC(C)C)C1CCCC1 ZINC000047966488 1171578189 /nfs/dbraw/zinc/57/81/89/1171578189.db2.gz BBFAUFUEJZCPMK-UHFFFAOYSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)OC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000048068985 1171586846 /nfs/dbraw/zinc/58/68/46/1171586846.db2.gz ZFJNMAIKPSREGD-NWDGAFQWSA-N 0 1 227.348 2.449 20 0 BEADMN CCCCN(CCO)Cc1nc2ccccc2[nH]1 ZINC000049800264 1171727509 /nfs/dbraw/zinc/72/75/09/1171727509.db2.gz GARMHXJEQVDUIC-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN CCc1ncc(CNC(=O)C[C@H]2CCC[C@@H]2C)[nH]1 ZINC001635610464 1171741422 /nfs/dbraw/zinc/74/14/22/1171741422.db2.gz MQTFXOQLTXGBAH-WDEREUQCSA-N 0 1 249.358 2.415 20 0 BEADMN CCCC[C@@H](C)C(=O)NCc1cnc(CC)[nH]1 ZINC001635610650 1171740678 /nfs/dbraw/zinc/74/06/78/1171740678.db2.gz QBCJWTXTNXNXLS-SNVBAGLBSA-N 0 1 237.347 2.415 20 0 BEADMN CC(C)OC(=O)CN(C)C1CCC(C)CC1 ZINC000049900099 1171746454 /nfs/dbraw/zinc/74/64/54/1171746454.db2.gz GGTCPVJKMHTEPY-UHFFFAOYSA-N 0 1 227.348 2.449 20 0 BEADMN O=C(Nc1ccc2cncn2c1)c1cscn1 ZINC001636202809 1171806392 /nfs/dbraw/zinc/80/63/92/1171806392.db2.gz NBQCGLSGFSCEPX-UHFFFAOYSA-N 0 1 244.279 2.043 20 0 BEADMN CC=CC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC001637487474 1171933562 /nfs/dbraw/zinc/93/35/62/1171933562.db2.gz JPUSPOJKQFEEKV-KXFIGUGUSA-N 0 1 243.266 2.297 20 0 BEADMN Cc1csc(CN2CCC[C@@H](CO)CC2)n1 ZINC000292989747 398135957 /nfs/dbraw/zinc/13/59/57/398135957.db2.gz BZQLMCSKMDCCBS-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN COc1nccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000296001051 398136599 /nfs/dbraw/zinc/13/65/99/398136599.db2.gz KWPLJPXYDAJPPH-LBPRGKRZSA-N 0 1 247.342 2.106 20 0 BEADMN COc1nccc(CN2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000296001051 398136602 /nfs/dbraw/zinc/13/66/02/398136602.db2.gz KWPLJPXYDAJPPH-LBPRGKRZSA-N 0 1 247.342 2.106 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCC(C)(C)C ZINC000296431768 398138386 /nfs/dbraw/zinc/13/83/86/398138386.db2.gz NFHWOGCWNNYFOS-GFCCVEGCSA-N 0 1 234.343 2.157 20 0 BEADMN CCC(CC)(CC)NC(=O)c1ccnc(CN)c1 ZINC000130347181 168317616 /nfs/dbraw/zinc/31/76/16/168317616.db2.gz GEVMSBZEQCLFJG-UHFFFAOYSA-N 0 1 249.358 2.239 20 0 BEADMN CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC12CC2 ZINC000629834754 361734311 /nfs/dbraw/zinc/73/43/11/361734311.db2.gz PMZUKLNGWMGALS-GFCCVEGCSA-N 0 1 238.375 2.025 20 0 BEADMN CO[C@H](CNCc1cnc(C)o1)CC(C)C ZINC000628314390 349452776 /nfs/dbraw/zinc/45/27/76/349452776.db2.gz YBLCMNZFJNFVGA-NSHDSACASA-N 0 1 226.320 2.134 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1cc(OC)ccc1F ZINC000550213985 398141425 /nfs/dbraw/zinc/14/14/25/398141425.db2.gz WSEOJLKWCFIYJQ-CHWSQXEVSA-N 0 1 239.290 2.101 20 0 BEADMN Cc1nn(C)cc1CNCc1cc(C)nc(C)c1 ZINC000421372940 192322076 /nfs/dbraw/zinc/32/20/76/192322076.db2.gz GFYABGNEODBYFP-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN Cc1ccc(CCC[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000257676421 349471203 /nfs/dbraw/zinc/47/12/03/349471203.db2.gz NWAWJFMLQYUKHF-CQSZACIVSA-N 0 1 247.338 2.334 20 0 BEADMN CC[C@H](C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000062742739 349491078 /nfs/dbraw/zinc/49/10/78/349491078.db2.gz OITBYRODAHHEEA-JTQLQIEISA-N 0 1 201.310 2.075 20 0 BEADMN CC[C@@H](C)C[N@H+](CC(=O)[O-])CC(C)C ZINC000062742738 349491110 /nfs/dbraw/zinc/49/11/10/349491110.db2.gz OITBYRODAHHEEA-SNVBAGLBSA-N 0 1 201.310 2.075 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2F)C1 ZINC000062936333 349502576 /nfs/dbraw/zinc/50/25/76/349502576.db2.gz CPRUXKZCCNVTQK-CYBMUJFWSA-N 0 1 237.274 2.122 20 0 BEADMN Cc1cc(CN2CC[C@@H](COC(F)F)C2)on1 ZINC000353022320 178000873 /nfs/dbraw/zinc/00/08/73/178000873.db2.gz DWZYSPWCOYTYRE-SECBINFHSA-N 0 1 246.257 2.044 20 0 BEADMN CC[C@H](N[C@@H](C)C(F)F)[C@H]1CCOC1 ZINC000389956537 398152225 /nfs/dbraw/zinc/15/22/25/398152225.db2.gz ZZPBHBFYSFSXHG-CIUDSAMLSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000336628444 178008059 /nfs/dbraw/zinc/00/80/59/178008059.db2.gz YEHKXYXTMWYHSA-WCBMZHEXSA-N 0 1 237.303 2.119 20 0 BEADMN Cc1cc(CNc2ccnc(C)c2Cl)on1 ZINC000334508660 178010007 /nfs/dbraw/zinc/01/00/07/178010007.db2.gz IWZHRNHCFFQQIQ-UHFFFAOYSA-N 0 1 237.690 2.374 20 0 BEADMN Cc1cc(CNCCc2ccccc2)no1 ZINC000044293739 178022082 /nfs/dbraw/zinc/02/20/82/178022082.db2.gz JGUKBTOSJWPAEX-UHFFFAOYSA-N 0 1 216.284 2.315 20 0 BEADMN Cc1cc(CNC[C@@H](O)C2CCCCC2)no1 ZINC000352622958 178023119 /nfs/dbraw/zinc/02/31/19/178023119.db2.gz IYCPXZMDKQIQEI-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN Cc1cc(CNCCc2ccc(F)cc2)no1 ZINC000355493147 178023563 /nfs/dbraw/zinc/02/35/63/178023563.db2.gz BWBDXJYLTJNREE-UHFFFAOYSA-N 0 1 234.274 2.454 20 0 BEADMN Cc1cnn(C)c1CNCc1ccc(F)c(C)c1 ZINC000285369520 178025387 /nfs/dbraw/zinc/02/53/87/178025387.db2.gz FTWQCDBXNWSTFR-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN Cc1cnc(CNC[C@H]2CCCSC2)o1 ZINC000379789607 398168988 /nfs/dbraw/zinc/16/89/88/398168988.db2.gz XUOOCVFPDMBCTI-SNVBAGLBSA-N 0 1 226.345 2.216 20 0 BEADMN Cc1cc(CNCc2ccc(F)c(C)c2)n(C)n1 ZINC000284121204 178026757 /nfs/dbraw/zinc/02/67/57/178026757.db2.gz XOWXZRFZBHWSEE-UHFFFAOYSA-N 0 1 247.317 2.466 20 0 BEADMN O=C(NCc1ccoc1)c1n[nH]c2ccccc21 ZINC000045835540 398183264 /nfs/dbraw/zinc/18/32/64/398183264.db2.gz IKNKRABMIRTJFZ-UHFFFAOYSA-N 0 1 241.250 2.086 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)n(C)n1 ZINC000284062911 178038475 /nfs/dbraw/zinc/03/84/75/178038475.db2.gz AKRIONZYWXKABX-LLVKDONJSA-N 0 1 245.326 2.285 20 0 BEADMN Cc1cc(CN[C@H]2CCCc3occc32)n(C)n1 ZINC000284114248 178040774 /nfs/dbraw/zinc/04/07/74/178040774.db2.gz CHCDDGRWBKLFEH-ZDUSSCGKSA-N 0 1 245.326 2.489 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[C@@H]2C(C)C)n[nH]1 ZINC000185758837 178055131 /nfs/dbraw/zinc/05/51/31/178055131.db2.gz HIHJUXAKWGQZMN-OASPWFOLSA-N 0 1 249.358 2.057 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C2CC(C)(C)C2)n[nH]1 ZINC000354440512 178057230 /nfs/dbraw/zinc/05/72/30/178057230.db2.gz RNFKYRKBISMBOM-VIFPVBQESA-N 0 1 249.358 2.202 20 0 BEADMN C1CC1C(c1nc([C@H]2CCCN2)no1)C1CC1 ZINC000380052791 398182239 /nfs/dbraw/zinc/18/22/39/398182239.db2.gz MHKMDMOLHWJXDL-SNVBAGLBSA-N 0 1 233.315 2.398 20 0 BEADMN CN[C@@H](C)c1cn(Cc2ccc(C)c(C)c2)nn1 ZINC000385791075 398189608 /nfs/dbraw/zinc/18/96/08/398189608.db2.gz ZDPJXQRUTVVERG-LBPRGKRZSA-N 0 1 244.342 2.224 20 0 BEADMN C[C@H](CCO)CCNc1ncc(Cl)s1 ZINC000649384555 398190924 /nfs/dbraw/zinc/19/09/24/398190924.db2.gz HLKGUQNPNDXEGD-ZETCQYMHSA-N 0 1 234.752 2.039 20 0 BEADMN Cc1cc(N(C)C[C@@H](C)O)c2cc(F)ccc2n1 ZINC000292339749 178098890 /nfs/dbraw/zinc/09/88/90/178098890.db2.gz NOPCNRHTZZCPOP-SNVBAGLBSA-N 0 1 248.301 2.499 20 0 BEADMN CC[C@@H](CC(F)(F)F)NCc1nccn1C ZINC000336748024 398196924 /nfs/dbraw/zinc/19/69/24/398196924.db2.gz XRZWBROMQWPDBL-QMMMGPOBSA-N 0 1 235.253 2.241 20 0 BEADMN COCCCCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000576293090 365556599 /nfs/dbraw/zinc/55/65/99/365556599.db2.gz IAUTUISVCGWZJP-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN Cc1cc(NC(=O)c2c(O)cccc2F)no1 ZINC000120279170 178148485 /nfs/dbraw/zinc/14/84/85/178148485.db2.gz XEDWNMJSDLNJFE-UHFFFAOYSA-N 0 1 236.202 2.080 20 0 BEADMN CC(C)(O)CCNC(C)(C)c1nccs1 ZINC000226761706 192027650 /nfs/dbraw/zinc/02/76/50/192027650.db2.gz RKOFPJLAVAFFJG-UHFFFAOYSA-N 0 1 228.361 2.129 20 0 BEADMN CCC(CC)CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356842822 168344292 /nfs/dbraw/zinc/34/42/92/168344292.db2.gz HJTWEVBFVDQYTL-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](O)CCN(C)Cc1scnc1C1CC1 ZINC000494970247 538927688 /nfs/dbraw/zinc/92/76/88/538927688.db2.gz GFNXKWQPUXNGJP-VIFPVBQESA-N 0 1 240.372 2.223 20 0 BEADMN Cn1cnnc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000558824097 398212420 /nfs/dbraw/zinc/21/24/20/398212420.db2.gz GOFFRTDENAGYBM-NSHDSACASA-N 0 1 236.363 2.073 20 0 BEADMN Cn1cnnc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000558824096 398212455 /nfs/dbraw/zinc/21/24/55/398212455.db2.gz GOFFRTDENAGYBM-LLVKDONJSA-N 0 1 236.363 2.073 20 0 BEADMN Cc1cc(NC[C@@H](c2ccco2)N(C)C)ncn1 ZINC000301251553 178165999 /nfs/dbraw/zinc/16/59/99/178165999.db2.gz PVWLVKUXVGAQPF-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN CCc1nc(CN[C@@H](C)c2cccc(F)c2)n[nH]1 ZINC000274573171 538929954 /nfs/dbraw/zinc/92/99/54/538929954.db2.gz FXAZFXSHTCPFLV-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CCCn1ncnc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000580540343 365585056 /nfs/dbraw/zinc/58/50/56/365585056.db2.gz DXXUPJUYZSEAJI-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1CCc2ccccc2C1 ZINC000576405305 365587879 /nfs/dbraw/zinc/58/78/79/365587879.db2.gz JFZZYLIQGWMBCY-LBPRGKRZSA-N 0 1 247.338 2.198 20 0 BEADMN C[C@H]1CCCCC[N@H+]1CC1(C(=O)[O-])CC1 ZINC000576405103 365587904 /nfs/dbraw/zinc/58/79/04/365587904.db2.gz DTMCOALUVNLMIY-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN CC(C)[C@@H](CO)[C@@H](NCC(F)F)C(C)C ZINC000650026847 398222295 /nfs/dbraw/zinc/22/22/95/398222295.db2.gz ALIWSXCRDCRHML-KOLCDFICSA-N 0 1 223.307 2.130 20 0 BEADMN COCCN[C@H](C)c1nc(C)sc1C ZINC000020085637 538930591 /nfs/dbraw/zinc/93/05/91/538930591.db2.gz DQXNDVYSWSIJID-SSDOTTSWSA-N 0 1 214.334 2.057 20 0 BEADMN CCC(CC)CN(CC(=O)OC)C1CC1 ZINC000355135098 168348975 /nfs/dbraw/zinc/34/89/75/168348975.db2.gz NKDLVTBFJREMRC-UHFFFAOYSA-N 0 1 213.321 2.060 20 0 BEADMN Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)n[nH]1 ZINC000073320549 343986657 /nfs/dbraw/zinc/98/66/57/343986657.db2.gz WMOTVYYSAADRDC-AOOOYVTPSA-N 0 1 221.304 2.121 20 0 BEADMN Cc1cc(CNCc2cc(C)nc(C)c2)n(C)n1 ZINC000421384407 192325255 /nfs/dbraw/zinc/32/52/55/192325255.db2.gz OUYQGAZVZHCFPK-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cc(C)nc(C)c1 ZINC000421387268 192326646 /nfs/dbraw/zinc/32/66/46/192326646.db2.gz SENHAYMJKWICBG-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN C[C@H](c1ccco1)N(C)C(=O)CCc1cnc[nH]1 ZINC000276386343 538932475 /nfs/dbraw/zinc/93/24/75/538932475.db2.gz FIMAPDOOAYLMTP-SNVBAGLBSA-N 0 1 247.298 2.155 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2CCC3(CC3)CC2)n1 ZINC000370031289 178202493 /nfs/dbraw/zinc/20/24/93/178202493.db2.gz MRSABXBFITWUBS-NSHDSACASA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[nH]c([C@H](C)N2CCC3(CC3)CC2)n1 ZINC000370031289 178202496 /nfs/dbraw/zinc/20/24/96/178202496.db2.gz MRSABXBFITWUBS-NSHDSACASA-N 0 1 247.342 2.428 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[NH+]2C[C@@H](C)[C@H](C)C2)n1 ZINC000279602219 178203979 /nfs/dbraw/zinc/20/39/79/178203979.db2.gz XDCOPYOYKYROLE-KKZNHRDASA-N 0 1 235.331 2.139 20 0 BEADMN C/C=C\C[C@@H]1CCCN(C(=O)[C@H](C)N(C)C)C1 ZINC000629876637 361750563 /nfs/dbraw/zinc/75/05/63/361750563.db2.gz KKMPZPMRKFREPN-AGFGORMFSA-N 0 1 238.375 2.141 20 0 BEADMN Cc1cc([C@@H](C)N[C@H](CCO)C(C)C)no1 ZINC000290612766 178233430 /nfs/dbraw/zinc/23/34/30/178233430.db2.gz IAYSCMHTYDOSEZ-GHMZBOCLSA-N 0 1 226.320 2.041 20 0 BEADMN COc1cc(C)ccc1CN1CC[C@]12CCOC2 ZINC000421396463 192329157 /nfs/dbraw/zinc/32/91/57/192329157.db2.gz BSNLHUSFHBCYIZ-OAHLLOKOSA-N 0 1 247.338 2.368 20 0 BEADMN Cc1cc([C@@H](C)N[C@H]2CCOC2(C)C)no1 ZINC000296304369 178233454 /nfs/dbraw/zinc/23/34/54/178233454.db2.gz GAKAOIXDULCNGA-KOLCDFICSA-N 0 1 224.304 2.201 20 0 BEADMN CC[C@H]1CN(CC2=CCCOC2)C[C@H](CC)O1 ZINC000421397190 192330026 /nfs/dbraw/zinc/33/00/26/192330026.db2.gz XIQDBOGWHAJSRL-KBPBESRZSA-N 0 1 239.359 2.223 20 0 BEADMN c1c2cccnc2oc1CN1CC[C@@]12CCOC2 ZINC000421399575 192331214 /nfs/dbraw/zinc/33/12/14/192331214.db2.gz IMWWFDCAIBIYHE-AWEZNQCLSA-N 0 1 244.294 2.193 20 0 BEADMN Cc1cc([C@@H](C)NC(=O)CN(C)C)c(C)s1 ZINC000170754433 178221166 /nfs/dbraw/zinc/22/11/66/178221166.db2.gz TVEFOERYRFXUFY-SECBINFHSA-N 0 1 240.372 2.104 20 0 BEADMN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2cncn2c1 ZINC000334196108 136224353 /nfs/dbraw/zinc/22/43/53/136224353.db2.gz KXRXXRIHOTUYPY-PHIMTYICSA-N 0 1 243.310 2.347 20 0 BEADMN Cc1cc([C@@H](C)NCCCOC(F)F)no1 ZINC000336752196 178224117 /nfs/dbraw/zinc/22/41/17/178224117.db2.gz VOMZKFLJNWZKFS-MRVPVSSYSA-N 0 1 234.246 2.263 20 0 BEADMN CN(Cc1cncnc1)C1CC(OC(C)(C)C)C1 ZINC000421368072 192333544 /nfs/dbraw/zinc/33/35/44/192333544.db2.gz GAWFHEBXXFLZCE-UHFFFAOYSA-N 0 1 249.358 2.255 20 0 BEADMN Cc1cc([C@@H](C)N[C@@H]2CCCCC[C@H]2O)no1 ZINC000331433583 178230255 /nfs/dbraw/zinc/23/02/55/178230255.db2.gz JIVGHUVFRVKXBY-NQBHXWOUSA-N 0 1 238.331 2.327 20 0 BEADMN COC(=O)c1[nH]c(CN2C3CCC2CC3)cc1C ZINC000602435964 349523092 /nfs/dbraw/zinc/52/30/92/349523092.db2.gz MFHRRLIQLJJGHF-UHFFFAOYSA-N 0 1 248.326 2.237 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC000280187370 538936448 /nfs/dbraw/zinc/93/64/48/538936448.db2.gz PWGNAWUTXHRFHW-CYBMUJFWSA-N 0 1 249.358 2.379 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2CCCc3cn[nH]c32)no1 ZINC000285316706 178253651 /nfs/dbraw/zinc/25/36/51/178253651.db2.gz SVUKLVXVIZDLGU-GXSJLCMTSA-N 0 1 246.314 2.434 20 0 BEADMN CCC(CC)CNC(=O)[C@@](C)(N)c1ccccc1 ZINC000125066762 168357844 /nfs/dbraw/zinc/35/78/44/168357844.db2.gz ZELRTTSAWXWKBP-HNNXBMFYSA-N 0 1 248.370 2.413 20 0 BEADMN Cc1cc([C@@H]2CCCN2Cc2cnc[nH]2)on1 ZINC000336332474 178241506 /nfs/dbraw/zinc/24/15/06/178241506.db2.gz AUQRGWPPFOPWMN-NSHDSACASA-N 0 1 232.287 2.043 20 0 BEADMN Cc1nc(CNCCc2cccc(C)n2)cs1 ZINC000280479373 538937307 /nfs/dbraw/zinc/93/73/07/538937307.db2.gz DLMZHBYRGAXVSG-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000280313628 538937310 /nfs/dbraw/zinc/93/73/10/538937310.db2.gz YQSZDIBEIFPXNP-GHMZBOCLSA-N 0 1 237.347 2.283 20 0 BEADMN Cc1cc([C@H](C)NCC(C)(C)CCO)no1 ZINC000336752896 178244953 /nfs/dbraw/zinc/24/49/53/178244953.db2.gz WAMZZSBNPJUPOC-JTQLQIEISA-N 0 1 226.320 2.042 20 0 BEADMN Cc1cc([C@H](C)NCCCCCCO)no1 ZINC000282846738 178246644 /nfs/dbraw/zinc/24/66/44/178246644.db2.gz TUAHLKAPFLKQLO-NSHDSACASA-N 0 1 226.320 2.186 20 0 BEADMN Cc1cc([C@H](C)NCC[C@H](O)C(C)C)no1 ZINC000330364672 178248318 /nfs/dbraw/zinc/24/83/18/178248318.db2.gz ULCMAPOEJPNUPK-JQWIXIFHSA-N 0 1 226.320 2.041 20 0 BEADMN CN(CC(=O)NCCC1CCCC1)C1CCC1 ZINC000629947812 361791347 /nfs/dbraw/zinc/79/13/47/361791347.db2.gz LRDQXPHMIMKENI-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1cc([C@H](C)NC[C@@](C)(O)C(C)C)no1 ZINC000309523920 178251163 /nfs/dbraw/zinc/25/11/63/178251163.db2.gz AUCLYFKMSDGKAC-CMPLNLGQSA-N 0 1 226.320 2.041 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)C[S@](C)=O)oc1C ZINC000282686664 178252593 /nfs/dbraw/zinc/25/25/93/178252593.db2.gz KACURVZHRNHVIW-PUTJDCORSA-N 0 1 243.372 2.314 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@H]23)no1 ZINC000337532339 178254927 /nfs/dbraw/zinc/25/49/27/178254927.db2.gz DOQKUUBMRPOWJF-XKAARJIMSA-N 0 1 236.315 2.201 20 0 BEADMN Cc1cc([C@H](C)N[C@H](C)CC(C)(C)O)no1 ZINC000296251979 178255021 /nfs/dbraw/zinc/25/50/21/178255021.db2.gz CXNWFEYNBNNZIE-SCZZXKLOSA-N 0 1 226.320 2.183 20 0 BEADMN Cc1cc([C@H](C)N[C@H](CO)CC2CCC2)no1 ZINC000353674785 178257146 /nfs/dbraw/zinc/25/71/46/178257146.db2.gz XKQOHZGDIKQLMC-JQWIXIFHSA-N 0 1 238.331 2.185 20 0 BEADMN Cc1cc([C@H](C)N[C@H]2CSC[C@H]2C)no1 ZINC000336770179 178260313 /nfs/dbraw/zinc/26/03/13/178260313.db2.gz WIWJRVIWGKXQNZ-HDBBIHSSSA-N 0 1 226.345 2.385 20 0 BEADMN COc1cc2c(cc1OC)[C@H](NCCF)CC2 ZINC000280874048 538938162 /nfs/dbraw/zinc/93/81/62/538938162.db2.gz AJZRDYRJCVDULQ-LLVKDONJSA-N 0 1 239.290 2.250 20 0 BEADMN CC(C)C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC000629969091 361814755 /nfs/dbraw/zinc/81/47/55/361814755.db2.gz JFBBVWLZDKGYBC-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CC(=O)N[C@H]1CCCC1(C)C)C1CCC1 ZINC000629968932 361815299 /nfs/dbraw/zinc/81/52/99/361815299.db2.gz FHMREVSKENBUOC-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN CCC1(CC)CN(CN2CCC[C@@H]2C)C(=O)O1 ZINC000180251351 259306890 /nfs/dbraw/zinc/30/68/90/259306890.db2.gz UMQNRMIXUNNGMH-NSHDSACASA-N 0 1 240.347 2.439 20 0 BEADMN CCCCN(C)Cc1cc(C(=O)OCC)no1 ZINC000602427817 349533462 /nfs/dbraw/zinc/53/34/62/349533462.db2.gz CMHVAUQUVUKKMW-UHFFFAOYSA-N 0 1 240.303 2.083 20 0 BEADMN C[N@@H+]1CCN(CC2CC2)CC12CCCCC2 ZINC000576475750 365605645 /nfs/dbraw/zinc/60/56/45/365605645.db2.gz MDCRXWMRIPGVMJ-UHFFFAOYSA-N 0 1 222.376 2.347 20 0 BEADMN Cc1ccc2nc(CNC(=O)C(C)C)[nH]c2c1 ZINC000022261077 343992605 /nfs/dbraw/zinc/99/26/05/343992605.db2.gz RSEUOLPLLYNHBG-UHFFFAOYSA-N 0 1 231.299 2.144 20 0 BEADMN CCN(CC(=O)N[C@H](C)CC1CCC1)C1CC1 ZINC000634369206 361821441 /nfs/dbraw/zinc/82/14/41/361821441.db2.gz VIQWTOUWEWRXSD-LLVKDONJSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccc(OCCN[C@@H](C)c2ncc[nH]2)cc1 ZINC000285719823 538941924 /nfs/dbraw/zinc/94/19/24/538941924.db2.gz QCIUIKDADHHSBF-LBPRGKRZSA-N 0 1 245.326 2.448 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1cc(C)no1)OC ZINC000381286887 398247536 /nfs/dbraw/zinc/24/75/36/398247536.db2.gz MREHSSZCHBMDRF-JOYOIKCWSA-N 0 1 226.320 2.134 20 0 BEADMN CCOC(=O)c1ccc(CN2C3CCC2CC3)[nH]1 ZINC000602434441 349537782 /nfs/dbraw/zinc/53/77/82/349537782.db2.gz DWVPSRGWQIEQJU-UHFFFAOYSA-N 0 1 248.326 2.318 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H](CC3CC3)C2)on1 ZINC000576645275 365648886 /nfs/dbraw/zinc/64/88/86/365648886.db2.gz WVTWLQXLJWLGEP-LBPRGKRZSA-N 0 1 248.326 2.499 20 0 BEADMN CCc1ccc(Cn2cc([C@H](C)NC)nn2)cc1 ZINC000381273181 398249705 /nfs/dbraw/zinc/24/97/05/398249705.db2.gz SEADSRNOKNROBG-NSHDSACASA-N 0 1 244.342 2.169 20 0 BEADMN CC1(C)C[C@@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000335247767 343995864 /nfs/dbraw/zinc/99/58/64/343995864.db2.gz JXTVUMCSPQDDNN-JTQLQIEISA-N 0 1 247.273 2.230 20 0 BEADMN Cn1cncc1CNCc1cc(Cl)cs1 ZINC000289751321 538946539 /nfs/dbraw/zinc/94/65/39/538946539.db2.gz HNFSKVDTPVIWKG-UHFFFAOYSA-N 0 1 241.747 2.425 20 0 BEADMN Cc1cnc(CN(C)[C@H](C)C2CC2)nc1 ZINC000576722263 365670394 /nfs/dbraw/zinc/67/03/94/365670394.db2.gz KBRXXVLHPNGFNS-SNVBAGLBSA-N 0 1 205.305 2.015 20 0 BEADMN Cc1nnsc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000576759271 365672481 /nfs/dbraw/zinc/67/24/81/365672481.db2.gz WGMKUSPIVRKTBQ-RKDXNWHRSA-N 0 1 225.361 2.467 20 0 BEADMN C[C@H]1[C@@H](NC(=O)CCC(C)(C)C)CCC[N@H+]1C ZINC000343516741 136230981 /nfs/dbraw/zinc/23/09/81/136230981.db2.gz RLRUTCZEDXVYBB-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN O=C(N[C@@H]1CC12CC2)c1ccc(O)c(Cl)c1 ZINC000335102434 398265297 /nfs/dbraw/zinc/26/52/97/398265297.db2.gz HDTJMBGRBGORLE-SNVBAGLBSA-N 0 1 237.686 2.328 20 0 BEADMN CCn1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cn1 ZINC000378746928 346822462 /nfs/dbraw/zinc/82/24/62/346822462.db2.gz IULOCICEETWBMQ-ADEWGFFLSA-N 0 1 225.311 2.444 20 0 BEADMN CC(C)N(C(=O)c1cnc[nH]1)C1CC(C)(C)C1 ZINC000335088623 136232978 /nfs/dbraw/zinc/23/29/78/136232978.db2.gz APBYXULUPIYQSF-UHFFFAOYSA-N 0 1 235.331 2.449 20 0 BEADMN CC[C@@H](C)Cc1noc(Cc2cc(C)n[nH]2)n1 ZINC000632248229 398269698 /nfs/dbraw/zinc/26/96/98/398269698.db2.gz LZGVWIHOTLNZQT-MRVPVSSYSA-N 0 1 234.303 2.281 20 0 BEADMN Fc1ccc(F)c(SCCc2c[nH]nn2)c1 ZINC000580276535 346830058 /nfs/dbraw/zinc/83/00/58/346830058.db2.gz LABFHAKQCKSBGT-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN CC(C)[C@H]1CN(Cc2cncnc2)CCS1 ZINC000180244814 538957514 /nfs/dbraw/zinc/95/75/14/538957514.db2.gz OLKALEZXXYMABB-GFCCVEGCSA-N 0 1 237.372 2.050 20 0 BEADMN CC[C@H](CNCc1cnc(C2CC2)o1)OC ZINC000628287375 346845384 /nfs/dbraw/zinc/84/53/84/346845384.db2.gz XIDWANHTXNWMQH-SNVBAGLBSA-N 0 1 224.304 2.067 20 0 BEADMN CC(C)C(C)(C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000335330463 136234503 /nfs/dbraw/zinc/23/45/03/136234503.db2.gz CHLDMJDAKYNZET-RYUDHWBXSA-N 0 1 240.391 2.220 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCc1ccccc1 ZINC000650503270 398274000 /nfs/dbraw/zinc/27/40/00/398274000.db2.gz VVDQKAJUPIZBTF-DGCLKSJQSA-N 0 1 233.311 2.167 20 0 BEADMN CSC[C@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000600121006 342677816 /nfs/dbraw/zinc/67/78/16/342677816.db2.gz OXVHYHDJWVWKEW-LLVKDONJSA-N 0 1 239.388 2.354 20 0 BEADMN COCCCCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505505 398274547 /nfs/dbraw/zinc/27/45/47/398274547.db2.gz GGSZGFOLUQKBGH-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN CS[C@H]1CCCCN(Cc2nc(C)c[nH]2)C1 ZINC000600133252 342687209 /nfs/dbraw/zinc/68/72/09/342687209.db2.gz PBAQKNJOPHDXES-NSHDSACASA-N 0 1 239.388 2.436 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000083362247 398278230 /nfs/dbraw/zinc/27/82/30/398278230.db2.gz NNPUGOFFEIDBSG-AOOOYVTPSA-N 0 1 235.283 2.210 20 0 BEADMN C/C=C/CNCc1cc(C)c(C(=O)OC)o1 ZINC000600206418 342700218 /nfs/dbraw/zinc/70/02/18/342700218.db2.gz XMMXJKWBHUXMFR-SNAWJCMRSA-N 0 1 223.272 2.040 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(C)cc1 ZINC000002019388 342714466 /nfs/dbraw/zinc/71/44/66/342714466.db2.gz CTBHSLXUHNIPDV-UHFFFAOYSA-N 0 1 220.316 2.275 20 0 BEADMN Cc1cccn2cc(CN3CCCC3)nc12 ZINC000035451374 342749303 /nfs/dbraw/zinc/74/93/03/342749303.db2.gz MRVXPOUGOAVCRN-UHFFFAOYSA-N 0 1 215.300 2.239 20 0 BEADMN CC[N@@H+](CCCc1cccc(F)c1)CC(=O)[O-] ZINC000583940318 342729027 /nfs/dbraw/zinc/72/90/27/342729027.db2.gz ZZLGXHWHIZCXFA-UHFFFAOYSA-N 0 1 239.290 2.165 20 0 BEADMN C[C@H]1CCC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC000629989309 361875736 /nfs/dbraw/zinc/87/57/36/361875736.db2.gz RWRQGOYBMHHBQH-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CN[C@@H](C)c1cnccn1)OCC ZINC000624048068 342764587 /nfs/dbraw/zinc/76/45/87/342764587.db2.gz AZRQWBIAKJTVKX-NWDGAFQWSA-N 0 1 237.347 2.332 20 0 BEADMN CCCN(Cc1nc(C)no1)CC1CC1 ZINC000045004025 342770077 /nfs/dbraw/zinc/77/00/77/342770077.db2.gz ZTAKLPRIIPGNNK-UHFFFAOYSA-N 0 1 209.293 2.000 20 0 BEADMN CCC[C@H](C)N(C)Cc1cc2n(n1)CCC2 ZINC000649485395 398282295 /nfs/dbraw/zinc/28/22/95/398282295.db2.gz KGXLYTWPLQOKCK-NSHDSACASA-N 0 1 221.348 2.450 20 0 BEADMN CC(C)CCC[N@@H+](C)[C@@H](C)CC(=O)[O-] ZINC000259942621 349617663 /nfs/dbraw/zinc/61/76/63/349617663.db2.gz GENGSDHBIWHSLB-JTQLQIEISA-N 0 1 201.310 2.218 20 0 BEADMN OCC1(CNCc2c(F)cccc2F)CCC1 ZINC000184375983 538968341 /nfs/dbraw/zinc/96/83/41/538968341.db2.gz KWRKSQSFJKJROE-UHFFFAOYSA-N 0 1 241.281 2.217 20 0 BEADMN COCC1(N[C@@H](C)c2cc(C)ccn2)CC1 ZINC000309649386 342775065 /nfs/dbraw/zinc/77/50/65/342775065.db2.gz NNWBWTYJUXNJMQ-NSHDSACASA-N 0 1 220.316 2.220 20 0 BEADMN CCO[C@@H]1C[C@@H]1NCc1ccnn1C1CCCC1 ZINC000583974960 342800903 /nfs/dbraw/zinc/80/09/03/342800903.db2.gz BYWKELUHFMIRFF-UONOGXRCSA-N 0 1 249.358 2.265 20 0 BEADMN CCc1cccc(CNC[C@@H](O)C(F)(F)F)c1 ZINC000649487382 398285084 /nfs/dbraw/zinc/28/50/84/398285084.db2.gz BQXJUCLXHYDXMN-LLVKDONJSA-N 0 1 247.260 2.262 20 0 BEADMN CC(C)N(Cc1cc2n(n1)CCC2)C1CC1 ZINC000649487835 398286022 /nfs/dbraw/zinc/28/60/22/398286022.db2.gz RIQMOLIWVVMJDK-UHFFFAOYSA-N 0 1 219.332 2.202 20 0 BEADMN Cc1ccccc1-n1[nH]c2c(c1=O)CSCC2 ZINC000634582464 342798240 /nfs/dbraw/zinc/79/82/40/342798240.db2.gz UGPZWZQOZLJISN-JTQLQIEISA-N 0 1 246.335 2.451 20 0 BEADMN C[C@@H]1CCc2[nH]n(-c3ccccc3)c(=O)c21 ZINC000634582418 342798357 /nfs/dbraw/zinc/79/83/57/342798357.db2.gz SRWCGUCHLIOZKU-SKDRFNHKSA-N 0 1 214.268 2.435 20 0 BEADMN C[C@@H](O)CNC1(c2c(F)cccc2F)CCC1 ZINC000626178690 346861902 /nfs/dbraw/zinc/86/19/02/346861902.db2.gz DXMWHPHWAGQDSH-SECBINFHSA-N 0 1 241.281 2.314 20 0 BEADMN COCCCCCNc1ncc(Cl)s1 ZINC000379583017 538978973 /nfs/dbraw/zinc/97/89/73/538978973.db2.gz MRVLEORELUWHNH-UHFFFAOYSA-N 0 1 234.752 2.447 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C12CC(C1)C2 ZINC000624728707 342823219 /nfs/dbraw/zinc/82/32/19/342823219.db2.gz CEFDBCOKBDDCPD-UHFFFAOYSA-N 0 1 227.267 2.302 20 0 BEADMN CCN1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186873579 538975107 /nfs/dbraw/zinc/97/51/07/538975107.db2.gz ASGUKYIPHUTOLJ-UHFFFAOYSA-N 0 1 248.374 2.050 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](C)C(C)(C)O)cs1 ZINC000380123885 538985808 /nfs/dbraw/zinc/98/58/08/538985808.db2.gz REDUHVJEDSZGJN-HTQZYQBOSA-N 0 1 228.361 2.262 20 0 BEADMN CC(C)CN1N=C2c3ccccc3C[C@H]2C1=O ZINC000634584089 342828273 /nfs/dbraw/zinc/82/82/73/342828273.db2.gz RLKHXTCDHNWUCK-GFCCVEGCSA-N 0 1 228.295 2.061 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000210753447 342828681 /nfs/dbraw/zinc/82/86/81/342828681.db2.gz AJFVUDZEGNRAIV-GTBONMDNSA-N 0 1 245.322 2.496 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000210753414 342828707 /nfs/dbraw/zinc/82/87/07/342828707.db2.gz AJFVUDZEGNRAIV-KKTNHOPESA-N 0 1 245.322 2.496 20 0 BEADMN Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1F ZINC000188869213 538979667 /nfs/dbraw/zinc/97/96/67/538979667.db2.gz BDAAFLKIBDJHNE-UHFFFAOYSA-N 0 1 247.273 2.429 20 0 BEADMN OC[C@@H](CC1CC1)NCc1ncc(Cl)s1 ZINC000379915778 538981616 /nfs/dbraw/zinc/98/16/16/538981616.db2.gz BYFULKRNFDKVOL-MRVPVSSYSA-N 0 1 246.763 2.047 20 0 BEADMN COC[C@@H](CNCc1cscc1Cl)OC ZINC000379963698 538982736 /nfs/dbraw/zinc/98/27/36/538982736.db2.gz XZIGFICMPFXKHO-SECBINFHSA-N 0 1 249.763 2.153 20 0 BEADMN Cc1nc([C@H](C)NCCN2CCC2)c(C)s1 ZINC000381451323 539000765 /nfs/dbraw/zinc/00/07/65/539000765.db2.gz HJSXUKFGFOPAIE-VIFPVBQESA-N 0 1 239.388 2.116 20 0 BEADMN Cc1nccc(N[C@H](CO)CC2CC2)c1Cl ZINC000381560806 539003685 /nfs/dbraw/zinc/00/36/85/539003685.db2.gz RBDAAEWCDFXWPW-JTQLQIEISA-N 0 1 240.734 2.038 20 0 BEADMN C[C@@H](NC(C)(C)C(F)F)[C@H]1CCOC1 ZINC000381562762 539003881 /nfs/dbraw/zinc/00/38/81/539003881.db2.gz UUOCAGCBVFIQBX-SFYZADRCSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)NC2CSC2)n[nH]1 ZINC000381573016 539004276 /nfs/dbraw/zinc/00/42/76/539004276.db2.gz YHYCKKFYJNCPNY-SFYZADRCSA-N 0 1 240.376 2.084 20 0 BEADMN C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C[C@@H](C)C1 ZINC000193664431 539007514 /nfs/dbraw/zinc/00/75/14/539007514.db2.gz AWCROZICEUCHHA-RYUDHWBXSA-N 0 1 249.358 2.237 20 0 BEADMN CCc1cnc(CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000381108259 538995313 /nfs/dbraw/zinc/99/53/13/538995313.db2.gz ZGUXNPKIZBXOMA-GXSJLCMTSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1ccoc1C ZINC000067217938 361989439 /nfs/dbraw/zinc/98/94/39/361989439.db2.gz XKHUZCCDNSMQLC-UHFFFAOYSA-N 0 1 233.315 2.228 20 0 BEADMN CCc1nnc(CN[C@@H]2CS[C@H](C)C2)s1 ZINC000391851853 398297095 /nfs/dbraw/zinc/29/70/95/398297095.db2.gz QXFMCVHHTFMGKC-SFYZADRCSA-N 0 1 243.401 2.084 20 0 BEADMN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1ncn(C)n1 ZINC000391945224 398298369 /nfs/dbraw/zinc/29/83/69/398298369.db2.gz VSYSNXYYAUFNFA-UTUOFQBUSA-N 0 1 236.363 2.435 20 0 BEADMN CC=CCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000624199038 342841383 /nfs/dbraw/zinc/84/13/83/342841383.db2.gz DXPXVKCEWZTYCE-ZMWSMAPVSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@H](NC(C)(C)C(F)F)[C@H]1CCCOC1 ZINC000390000160 539019728 /nfs/dbraw/zinc/01/97/28/539019728.db2.gz SHPYMHRKJKFJJV-IUCAKERBSA-N 0 1 221.291 2.435 20 0 BEADMN CC1(C)CCC[C@H]1NC(=O)c1coc(CN)c1 ZINC000187804229 342851056 /nfs/dbraw/zinc/85/10/56/342851056.db2.gz VYBAUMMGOZYTQF-LLVKDONJSA-N 0 1 236.315 2.047 20 0 BEADMN CC(C)[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625103969 342857774 /nfs/dbraw/zinc/85/77/74/342857774.db2.gz NNMBNFIDXPAQQP-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1ccccc1Cl ZINC000015258438 342893796 /nfs/dbraw/zinc/89/37/96/342893796.db2.gz BDDWXIYBTNWEJP-VIFPVBQESA-N 0 1 240.734 2.079 20 0 BEADMN CC[C@@H]1CCC[N@@H+](CCCCC(=O)[O-])C1 ZINC000036170048 342894327 /nfs/dbraw/zinc/89/43/27/342894327.db2.gz UVFFXWDCAAMLDI-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN COc1cncc(CN2C3CCCC2CCC3)n1 ZINC000625191800 342906401 /nfs/dbraw/zinc/90/64/01/342906401.db2.gz RBGRMOYJUCBSDE-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN CCn1[nH]c2c(c1=O)C[C@@H](C(C)C)CC2 ZINC000634584772 342901212 /nfs/dbraw/zinc/90/12/12/342901212.db2.gz MRGSDJWHFRNJHM-VHSXEESVSA-N 0 1 208.305 2.277 20 0 BEADMN CCn1cncc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000418021806 398325981 /nfs/dbraw/zinc/32/59/81/398325981.db2.gz AHOSMFRBRDMGST-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN CCn1cncc1CN(C)[C@@H]1CC1(C)C ZINC000418021806 398325983 /nfs/dbraw/zinc/32/59/83/398325983.db2.gz AHOSMFRBRDMGST-LLVKDONJSA-N 0 1 207.321 2.133 20 0 BEADMN CC[C@@]1(C)CCN(Cc2cncc(OC)n2)C1 ZINC000625221536 342918579 /nfs/dbraw/zinc/91/85/79/342918579.db2.gz GRDYQNPEBJBOBS-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000045769754 342919131 /nfs/dbraw/zinc/91/91/31/342919131.db2.gz UGHUSRPQJQCOTI-LBPRGKRZSA-N 0 1 228.380 2.221 20 0 BEADMN Cc1ccc(CC[N@H+](C)[C@H](C)CC(=O)[O-])cc1 ZINC000260155049 349648413 /nfs/dbraw/zinc/64/84/13/349648413.db2.gz RCFUJTUMSSLASJ-GFCCVEGCSA-N 0 1 235.327 2.333 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000260142367 349648425 /nfs/dbraw/zinc/64/84/25/349648425.db2.gz QLTUZPBUMAUVII-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN C[C@H](O)CCN(C)Cc1ccc(Cl)o1 ZINC000093481047 344011325 /nfs/dbraw/zinc/01/13/25/344011325.db2.gz YZWSDNYZUDHMJP-QMMMGPOBSA-N 0 1 217.696 2.136 20 0 BEADMN COc1ccc(CN2CC=CC2)cc1OC ZINC000575433840 398327742 /nfs/dbraw/zinc/32/77/42/398327742.db2.gz OMXYEBDYBOOKJI-UHFFFAOYSA-N 0 1 219.284 2.076 20 0 BEADMN COc1cccc(-n2[nH]c3c(c2=O)CC[C@H]3C)c1 ZINC000634585887 342929114 /nfs/dbraw/zinc/92/91/14/342929114.db2.gz UVLKFVILQOBKHO-SKDRFNHKSA-N 0 1 244.294 2.444 20 0 BEADMN c1cncc(CN(CCOCC2CC2)C2CC2)c1 ZINC000162348725 349651056 /nfs/dbraw/zinc/65/10/56/349651056.db2.gz OUKHVRMIEQXJKI-UHFFFAOYSA-N 0 1 246.354 2.473 20 0 BEADMN CCCCC[N@@H+](CC(=O)[O-])[C@H](C)CC ZINC000037474778 342936277 /nfs/dbraw/zinc/93/62/77/342936277.db2.gz ZWROZLQIOXSHQR-SNVBAGLBSA-N 0 1 201.310 2.362 20 0 BEADMN O=c1cc(C[C@H]2CCCO2)[nH]n1C1CCCC1 ZINC000634587901 342932746 /nfs/dbraw/zinc/93/27/46/342932746.db2.gz CDLVCXHAWQIGBV-GFCCVEGCSA-N 0 1 236.315 2.086 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000628155001 398336255 /nfs/dbraw/zinc/33/62/55/398336255.db2.gz NHCSSOYDUSXHNU-NEPJUHHUSA-N 0 1 219.332 2.483 20 0 BEADMN Cc1nc([C@@H]2CCCCN2CC[C@@H](C)F)n[nH]1 ZINC000351729261 136249822 /nfs/dbraw/zinc/24/98/22/136249822.db2.gz FBUWGSQLVBYYKQ-KOLCDFICSA-N 0 1 240.326 2.388 20 0 BEADMN CCOC(=O)c1ccc(CN2CC[C@@H]2C2CC2)[nH]1 ZINC000602677543 349670087 /nfs/dbraw/zinc/67/00/87/349670087.db2.gz IQOMNAUOGISWHP-CYBMUJFWSA-N 0 1 248.326 2.176 20 0 BEADMN COc1ncc(CN(C)CCCSC)s1 ZINC000602655334 349661960 /nfs/dbraw/zinc/66/19/60/349661960.db2.gz JVZZRYYYSAQWTE-UHFFFAOYSA-N 0 1 246.401 2.337 20 0 BEADMN CC[C@H](C(=O)N1CCC1)N(C)Cc1ccccc1 ZINC000351729818 136250194 /nfs/dbraw/zinc/25/01/94/136250194.db2.gz HOYRRQRWKRQZHF-CQSZACIVSA-N 0 1 246.354 2.129 20 0 BEADMN O=C1[C@@H]2CCCCCCC2=NN1c1ncccn1 ZINC000634590439 342937540 /nfs/dbraw/zinc/93/75/40/342937540.db2.gz ZYAJXUCBDGPDGO-SNVBAGLBSA-N 0 1 244.298 2.150 20 0 BEADMN CC(C)CC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000038027597 398335749 /nfs/dbraw/zinc/33/57/49/398335749.db2.gz NINQCXLNQFVPBZ-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H]1CCc2c(=O)n(CC3CCCC3)[nH]c21 ZINC000634592136 342942938 /nfs/dbraw/zinc/94/29/38/342942938.db2.gz ZHAJTCZXEPIQOX-ONGXEEELSA-N 0 1 220.316 2.421 20 0 BEADMN COC(=O)c1cc(CN2CC[C@H]2C2CC2)[nH]c1C ZINC000602679191 349671728 /nfs/dbraw/zinc/67/17/28/349671728.db2.gz PBSUJUPJZWZARD-ZDUSSCGKSA-N 0 1 248.326 2.094 20 0 BEADMN COCC[C@H]1COCCN1Cc1cccc(C)c1 ZINC000368270357 398342998 /nfs/dbraw/zinc/34/29/98/398342998.db2.gz WEDVYMRIPRIUED-HNNXBMFYSA-N 0 1 249.354 2.232 20 0 BEADMN CS[C@@H]1CCN(Cc2cc(C)ns2)C1 ZINC000602678979 349672006 /nfs/dbraw/zinc/67/20/06/349672006.db2.gz HLJGQMHPMKQMAM-SECBINFHSA-N 0 1 228.386 2.389 20 0 BEADMN CC(C)(C)O[C@H]1C[C@@H](N[C@@H]2CCn3ccnc32)C1 ZINC000647343255 398343129 /nfs/dbraw/zinc/34/31/29/398343129.db2.gz JXHZLDRIBRZFEF-GRYCIOLGSA-N 0 1 249.358 2.264 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NCc1ccncc1Cl ZINC000300363778 398343958 /nfs/dbraw/zinc/34/39/58/398343958.db2.gz FSVXQUDRXAADTJ-CABZTGNLSA-N 0 1 240.734 2.392 20 0 BEADMN CCCCC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368850 398344608 /nfs/dbraw/zinc/34/46/08/398344608.db2.gz PHBCBQDQAVOUIL-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN COC[C@H](C)CN1CCn2cccc2[C@H]1C ZINC000189540368 346898601 /nfs/dbraw/zinc/89/86/01/346898601.db2.gz HAYTWZZVSJBSGP-VXGBXAGGSA-N 0 1 222.332 2.147 20 0 BEADMN CCC1=NN(CCc2ccccc2)C(=O)[C@@H]1C ZINC000634593030 342948999 /nfs/dbraw/zinc/94/89/99/342948999.db2.gz CRWISNROCNSELH-LLVKDONJSA-N 0 1 230.311 2.473 20 0 BEADMN CCc1[nH]n(CCc2ccccc2)c(=O)c1C ZINC000634593030 342949000 /nfs/dbraw/zinc/94/90/00/342949000.db2.gz CRWISNROCNSELH-LLVKDONJSA-N 0 1 230.311 2.473 20 0 BEADMN CC[C@H]1CCN1Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602669528 349685973 /nfs/dbraw/zinc/68/59/73/349685973.db2.gz JIQVBXWGDBHMRQ-NSHDSACASA-N 0 1 236.315 2.094 20 0 BEADMN CC[C@H]1C[C@@H](C)CN1Cc1nc(C2CC2)nn1C ZINC000516924369 259333623 /nfs/dbraw/zinc/33/36/23/259333623.db2.gz KZBJIFHIXXXXBX-PWSUYJOCSA-N 0 1 248.374 2.313 20 0 BEADMN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCCCF ZINC000304392203 259335040 /nfs/dbraw/zinc/33/50/40/259335040.db2.gz MSWJMRMPDVHRNM-TUAOUCFPSA-N 0 1 243.322 2.311 20 0 BEADMN CCN(CCSC)Cc1ccns1 ZINC000602702162 349696857 /nfs/dbraw/zinc/69/68/57/349696857.db2.gz IOWLBOWGBQFRCF-UHFFFAOYSA-N 0 1 216.375 2.328 20 0 BEADMN CCN(CCSC)Cc1cnc(OC)s1 ZINC000602702361 349697205 /nfs/dbraw/zinc/69/72/05/349697205.db2.gz JTCVQVCLCXUVTA-UHFFFAOYSA-N 0 1 246.401 2.337 20 0 BEADMN C[C@@H](C1CC1)n1[nH]c(C2CCC2)cc1=O ZINC000634597454 342974328 /nfs/dbraw/zinc/97/43/28/342974328.db2.gz KOYBDBNUWSLQLH-QMMMGPOBSA-N 0 1 206.289 2.173 20 0 BEADMN COC1CC(NCc2ccn(C3CCCC3)n2)C1 ZINC000221241508 536720683 /nfs/dbraw/zinc/72/06/83/536720683.db2.gz LLVGLBPUKRXAPE-UHFFFAOYSA-N 0 1 249.358 2.265 20 0 BEADMN Cn1cc(CN[C@@H]2CCCc3occc32)cn1 ZINC000020204949 342976838 /nfs/dbraw/zinc/97/68/38/342976838.db2.gz YKKNDHOMUBJSRY-GFCCVEGCSA-N 0 1 231.299 2.180 20 0 BEADMN CC(C)C[N@@H+](CCSC(C)C)CC(=O)[O-] ZINC000308777627 346911802 /nfs/dbraw/zinc/91/18/02/346911802.db2.gz JFGSASWEYDBEOG-UHFFFAOYSA-N 0 1 233.377 2.171 20 0 BEADMN Cc1ccc(N2N=C3[C@@H](CC[C@@H]3C)C2=O)nc1 ZINC000634598370 342983084 /nfs/dbraw/zinc/98/30/84/342983084.db2.gz JDORODCZSIYSDL-VHSXEESVSA-N 0 1 229.283 2.139 20 0 BEADMN CSC1CCN(Cc2ccns2)CC1 ZINC000602728139 349716600 /nfs/dbraw/zinc/71/66/00/349716600.db2.gz YKQYVHYGGXBUKA-UHFFFAOYSA-N 0 1 228.386 2.471 20 0 BEADMN COCCc1cc(=O)n([C@H](C)c2ccccc2)[nH]1 ZINC000634599119 342986976 /nfs/dbraw/zinc/98/69/76/342986976.db2.gz ATNSTDGQJFTWCX-LLVKDONJSA-N 0 1 246.310 2.372 20 0 BEADMN CCN(C#N)CCN1CCC[C@@H]1c1ccncc1 ZINC000602796079 349738009 /nfs/dbraw/zinc/73/80/09/349738009.db2.gz CXFMYSYAAWWXKN-CQSZACIVSA-N 0 1 244.342 2.021 20 0 BEADMN Cc1cnccc1-n1[nH]c(C(C)C)cc1=O ZINC000634606489 343001833 /nfs/dbraw/zinc/00/18/33/343001833.db2.gz UMCBUJMXDSAITP-UHFFFAOYSA-N 0 1 217.272 2.139 20 0 BEADMN CCc1cc(=O)n(-c2nc3cccnc3s2)[nH]1 ZINC000634608341 343003978 /nfs/dbraw/zinc/00/39/78/343003978.db2.gz ZFEOXRDOYLFKSP-UHFFFAOYSA-N 0 1 246.295 2.194 20 0 BEADMN CCCCC1=NN([C@@H](C)COC)C(=O)[C@H]1C ZINC000634610959 343005301 /nfs/dbraw/zinc/00/53/01/343005301.db2.gz KLYUWIJFEUPAGX-UWVGGRQHSA-N 0 1 226.320 2.046 20 0 BEADMN CCCCc1[nH]n([C@@H](C)COC)c(=O)c1C ZINC000634610959 343005303 /nfs/dbraw/zinc/00/53/03/343005303.db2.gz KLYUWIJFEUPAGX-UWVGGRQHSA-N 0 1 226.320 2.046 20 0 BEADMN Cc1cccc(N2N=C3[C@@H](C)CC[C@@H]3C2=O)n1 ZINC000634612766 343009636 /nfs/dbraw/zinc/00/96/36/343009636.db2.gz HTGHEYIQGRQJCW-WPRPVWTQSA-N 0 1 229.283 2.139 20 0 BEADMN COc1cc(F)cc(N2N=C3CCC[C@H]3C2=O)c1 ZINC000634617898 343015830 /nfs/dbraw/zinc/01/58/30/343015830.db2.gz AGZQJCSMHFKGTC-LLVKDONJSA-N 0 1 248.257 2.337 20 0 BEADMN COc1cc(F)cc(-n2[nH]c3c(c2=O)CCC3)c1 ZINC000634617898 343015831 /nfs/dbraw/zinc/01/58/31/343015831.db2.gz AGZQJCSMHFKGTC-LLVKDONJSA-N 0 1 248.257 2.337 20 0 BEADMN COc1cccc(C2=NN(C3CC3)C(=O)[C@@H]2C)c1 ZINC000634618464 343016294 /nfs/dbraw/zinc/01/62/94/343016294.db2.gz RUZFQOHJNWHMHB-SECBINFHSA-N 0 1 244.294 2.040 20 0 BEADMN CCc1[nH]n(-c2ccnc(C)c2)c(=O)c1C ZINC000634619155 343018373 /nfs/dbraw/zinc/01/83/73/343018373.db2.gz QKUDORHLZWSPCQ-SECBINFHSA-N 0 1 217.272 2.139 20 0 BEADMN CC(C)OCCN1N=C(c2ccccc2)CC1=O ZINC000634620239 343018794 /nfs/dbraw/zinc/01/87/94/343018794.db2.gz XTAJFVSOVULVSD-UHFFFAOYSA-N 0 1 246.310 2.048 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc2n[nH]cc2c1 ZINC000634620443 343019637 /nfs/dbraw/zinc/01/96/37/343019637.db2.gz DPWTVILPFDYZGS-UHFFFAOYSA-N 0 1 240.266 2.066 20 0 BEADMN CCC1=NN([C@@H]2CCOC(C)(C)C2)C(=O)[C@@H]1C ZINC000634621958 343020722 /nfs/dbraw/zinc/02/07/22/343020722.db2.gz UKPVOXFEWMSZGL-NXEZZACHSA-N 0 1 238.331 2.188 20 0 BEADMN CCc1[nH]n([C@@H]2CCOC(C)(C)C2)c(=O)c1C ZINC000634621958 343020724 /nfs/dbraw/zinc/02/07/24/343020724.db2.gz UKPVOXFEWMSZGL-NXEZZACHSA-N 0 1 238.331 2.188 20 0 BEADMN CCC(CC)Cn1[nH]c([C@H]2CCOC2)cc1=O ZINC000634621970 343020822 /nfs/dbraw/zinc/02/08/22/343020822.db2.gz UNSSBTNZQXHPFZ-NSHDSACASA-N 0 1 238.331 2.047 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@](C)(C(N)=O)C2)o1 ZINC000335905618 136260775 /nfs/dbraw/zinc/26/07/75/136260775.db2.gz GUKQSDIPWZXZFJ-JOYOIKCWSA-N 0 1 237.303 2.291 20 0 BEADMN CCCCC1=NN(CC(F)F)C(=O)[C@H]1C ZINC000634623218 343026469 /nfs/dbraw/zinc/02/64/69/343026469.db2.gz ZSKSGABKHIECRX-ZETCQYMHSA-N 0 1 218.247 2.276 20 0 BEADMN CCCCc1[nH]n(CC(F)F)c(=O)c1C ZINC000634623218 343026471 /nfs/dbraw/zinc/02/64/71/343026471.db2.gz ZSKSGABKHIECRX-ZETCQYMHSA-N 0 1 218.247 2.276 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CCCC23CC3)n1 ZINC000668050627 488195883 /nfs/dbraw/zinc/19/58/83/488195883.db2.gz WODAYJNLPJPLEP-WPRPVWTQSA-N 0 1 221.304 2.361 20 0 BEADMN Cc1[nH]n(-c2cccc(F)c2F)c(=O)c1C ZINC000634613927 343011927 /nfs/dbraw/zinc/01/19/27/343011927.db2.gz MBIUULDMTTYJPO-ZCFIWIBFSA-N 0 1 224.210 2.323 20 0 BEADMN C[C@H](N1N=C2[C@H](C)CC[C@H]2C1=O)C(F)(F)F ZINC000634631006 343041528 /nfs/dbraw/zinc/04/15/28/343041528.db2.gz JISQSMQPWPZWQI-DSYKOEDSSA-N 0 1 234.221 2.182 20 0 BEADMN CC[C@H](C(N)=O)N(C)C/C(C)=C/c1ccccc1 ZINC000494293079 529627992 /nfs/dbraw/zinc/62/79/92/529627992.db2.gz LZDGUQNICCSUQJ-IEZBTEQYSA-N 0 1 246.354 2.286 20 0 BEADMN CCCCN(C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000021999762 343032667 /nfs/dbraw/zinc/03/26/67/343032667.db2.gz VHYZGSVXOZRLAQ-LBPRGKRZSA-N 0 1 238.306 2.084 20 0 BEADMN CCCCc1cc(=O)n([C@H]2CCSC2)[nH]1 ZINC000634627507 343033077 /nfs/dbraw/zinc/03/30/77/343033077.db2.gz DXIBQZFRSCIHNI-JTQLQIEISA-N 0 1 226.345 2.270 20 0 BEADMN CCCCc1[nH]n(-c2cncnc2)c(=O)c1C ZINC000634627522 343033752 /nfs/dbraw/zinc/03/37/52/343033752.db2.gz FHWZVVLQMZMBEK-VIFPVBQESA-N 0 1 232.287 2.006 20 0 BEADMN C[C@@H]1CCc2[nH]n([C@H]3CCSC3)c(=O)c2C1 ZINC000634627797 343034133 /nfs/dbraw/zinc/03/41/33/343034133.db2.gz KVONGCQLOVVXSD-KXUCPTDWSA-N 0 1 238.356 2.126 20 0 BEADMN CCCc1[nH]n(-c2cncnc2)c(=O)c1CC ZINC000634628111 343034651 /nfs/dbraw/zinc/03/46/51/343034651.db2.gz RGJLSVMWJQNWKU-JTQLQIEISA-N 0 1 232.287 2.006 20 0 BEADMN O=C1[C@@H]2CCCCC2=NN1c1ccncc1F ZINC000634634329 343046986 /nfs/dbraw/zinc/04/69/86/343046986.db2.gz VFOIBATYICMHNZ-MRVPVSSYSA-N 0 1 233.246 2.114 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1F)CCCC2 ZINC000634634329 343046988 /nfs/dbraw/zinc/04/69/88/343046988.db2.gz VFOIBATYICMHNZ-MRVPVSSYSA-N 0 1 233.246 2.114 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(C(C)C)CC1 ZINC000505581710 529645204 /nfs/dbraw/zinc/64/52/04/529645204.db2.gz KXIPNWCRSWGVSF-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CO[C@H]1C[C@@H](NCc2cscn2)C1(C)C ZINC000227829520 536802219 /nfs/dbraw/zinc/80/22/19/536802219.db2.gz YWSZJRSVZCBOOM-ZJUUUORDSA-N 0 1 226.345 2.046 20 0 BEADMN CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000247096132 343068368 /nfs/dbraw/zinc/06/83/68/343068368.db2.gz ODMMLSXGHWMTSZ-GXTWGEPZSA-N 0 1 246.354 2.001 20 0 BEADMN CC[C@@H]1C(=O)NCCN1C[C@H](C)c1ccccc1 ZINC000247096132 343068369 /nfs/dbraw/zinc/06/83/69/343068369.db2.gz ODMMLSXGHWMTSZ-GXTWGEPZSA-N 0 1 246.354 2.001 20 0 BEADMN C=CC[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC000141756295 343099997 /nfs/dbraw/zinc/09/99/97/343099997.db2.gz XTWXJMKFELPVFE-LBPRGKRZSA-N 0 1 219.284 2.239 20 0 BEADMN COC1CC(c2nc([C@@H](N)CC(C)C)no2)C1 ZINC000634555822 362045453 /nfs/dbraw/zinc/04/54/53/362045453.db2.gz WDSHCMGUSPSZIA-RTBKNWGFSA-N 0 1 239.319 2.008 20 0 BEADMN CCO[C@H]1C[C@@H]1NCc1scnc1C1CC1 ZINC000309913427 343094501 /nfs/dbraw/zinc/09/45/01/343094501.db2.gz OBTXAVWCNGUBEO-UWVGGRQHSA-N 0 1 238.356 2.288 20 0 BEADMN N[C@H](c1cn(CC2CCC2)nn1)c1ccccc1 ZINC000640946818 362095824 /nfs/dbraw/zinc/09/58/24/362095824.db2.gz CAYBSCFOGQXLIH-AWEZNQCLSA-N 0 1 242.326 2.126 20 0 BEADMN CCNCc1cn([C@H](C)c2cccc(F)c2)nn1 ZINC000640991218 362103277 /nfs/dbraw/zinc/10/32/77/362103277.db2.gz KGYXBACACCIKRA-SNVBAGLBSA-N 0 1 248.305 2.136 20 0 BEADMN CNC(C)(C)c1cn(CCCC(C)C)nn1 ZINC000640940024 362079680 /nfs/dbraw/zinc/07/96/80/362079680.db2.gz HLMUBYULPPPEQT-UHFFFAOYSA-N 0 1 224.352 2.169 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C)c(C)c1 ZINC000049669073 343114212 /nfs/dbraw/zinc/11/42/12/343114212.db2.gz BOUVVLCCPDEBNI-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCc1ccccc1 ZINC000092925066 343148409 /nfs/dbraw/zinc/14/84/09/343148409.db2.gz ZODSUTCTJWBRBN-YPMHNXCESA-N 0 1 233.311 2.024 20 0 BEADMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCc1ccccc1 ZINC000092925064 343148417 /nfs/dbraw/zinc/14/84/17/343148417.db2.gz ZODSUTCTJWBRBN-WCQYABFASA-N 0 1 233.311 2.024 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)CCC(C)(C)C ZINC000259930960 343130429 /nfs/dbraw/zinc/13/04/29/343130429.db2.gz FHQWZXQACHUOKG-VIFPVBQESA-N 0 1 201.310 2.218 20 0 BEADMN CC(C)C[N@@H+](Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000094762527 343156997 /nfs/dbraw/zinc/15/69/97/343156997.db2.gz NGIZETDJHQHXNT-UHFFFAOYSA-N 0 1 248.326 2.400 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000094762906 343157083 /nfs/dbraw/zinc/15/70/83/343157083.db2.gz AKLKYUMWXVWFGY-MNOVXSKESA-N 0 1 248.326 2.400 20 0 BEADMN COCCCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000576933278 365724285 /nfs/dbraw/zinc/72/42/85/365724285.db2.gz ARTGJMIADMYXFN-UHFFFAOYSA-N 0 1 239.363 2.176 20 0 BEADMN C[N@@H+](CCOc1cccc(C(=O)[O-])c1)C1CCC1 ZINC000157229571 343199802 /nfs/dbraw/zinc/19/98/02/343199802.db2.gz CNBBYZIMDOCZFM-UHFFFAOYSA-N 0 1 249.310 2.248 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000158008228 343200389 /nfs/dbraw/zinc/20/03/89/343200389.db2.gz FDQQJJQAPUDDQD-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN CC(C)CC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000159679666 343202288 /nfs/dbraw/zinc/20/22/88/343202288.db2.gz LRLCARXUADOVNU-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CSCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000167580549 343209135 /nfs/dbraw/zinc/20/91/35/343209135.db2.gz ZUXVJVNWYOGWAW-LLVKDONJSA-N 0 1 239.340 2.107 20 0 BEADMN O=C([O-])C[N@@H+](C1CCCC1)[C@H]1C=CCCC1 ZINC000167796055 343209580 /nfs/dbraw/zinc/20/95/80/343209580.db2.gz NQZPPLOLBRCHPM-NSHDSACASA-N 0 1 223.316 2.424 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@@H](C3CC3)C2)O1 ZINC000334148192 343216952 /nfs/dbraw/zinc/21/69/52/343216952.db2.gz XZEVZGUAHUSXKB-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCCCO1 ZINC000132572510 343188705 /nfs/dbraw/zinc/18/87/05/343188705.db2.gz JJGPPFVSLBWPNR-NWDGAFQWSA-N 0 1 243.347 2.131 20 0 BEADMN CCc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000033464903 343254266 /nfs/dbraw/zinc/25/42/66/343254266.db2.gz KNWZUGXJQBRKQB-UHFFFAOYSA-N 0 1 233.311 2.298 20 0 BEADMN COC(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000070587760 136278627 /nfs/dbraw/zinc/27/86/27/136278627.db2.gz ORDCGPOFIXYQLN-NSHDSACASA-N 0 1 227.348 2.308 20 0 BEADMN C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccncc1 ZINC000035124214 343285832 /nfs/dbraw/zinc/28/58/32/343285832.db2.gz BZGIJJGUJADTGV-MNOVXSKESA-N 0 1 249.358 2.035 20 0 BEADMN CC(C)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000035142765 343286639 /nfs/dbraw/zinc/28/66/39/343286639.db2.gz DFQBDORFDVZFTL-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN COC(=O)CCN[C@H](C)c1c(F)cccc1F ZINC000036891780 343326761 /nfs/dbraw/zinc/32/67/61/343326761.db2.gz GSLMANCFGQPJTH-MRVPVSSYSA-N 0 1 243.253 2.179 20 0 BEADMN C[C@@H](NCc1csnn1)C1CCCC1 ZINC000069803933 343291997 /nfs/dbraw/zinc/29/19/97/343291997.db2.gz URKFNKLGHXDENO-MRVPVSSYSA-N 0 1 211.334 2.206 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2cscn2)CCO1 ZINC000069891442 343293529 /nfs/dbraw/zinc/29/35/29/343293529.db2.gz SRQFIPZBLWTPCV-GXSJLCMTSA-N 0 1 226.345 2.190 20 0 BEADMN COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000035320737 343294193 /nfs/dbraw/zinc/29/41/93/343294193.db2.gz RKLLZTAGGTZGHC-UHFFFAOYSA-N 0 1 216.240 2.172 20 0 BEADMN CCc1ncc(CN(C)C2CC(OC)C2)s1 ZINC000348711808 136293636 /nfs/dbraw/zinc/29/36/36/136293636.db2.gz SAJTXLYYHJQVEG-UHFFFAOYSA-N 0 1 240.372 2.315 20 0 BEADMN C[C@@H](O)CN[C@@H](c1ccco1)c1ccccc1 ZINC000035601700 343298819 /nfs/dbraw/zinc/29/88/19/343298819.db2.gz JUFSDXAMQOZBQX-BXUZGUMPSA-N 0 1 231.295 2.339 20 0 BEADMN C[C@@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000035602024 343298834 /nfs/dbraw/zinc/29/88/34/343298834.db2.gz TXJSXJBJZNAVJK-DOMZBBRYSA-N 0 1 242.322 2.141 20 0 BEADMN C[C@H](CO)N[C@H](c1ccccc1)c1ccccn1 ZINC000035603385 343299708 /nfs/dbraw/zinc/29/97/08/343299708.db2.gz SLTZWDHBDMWPSA-IUODEOHRSA-N 0 1 242.322 2.141 20 0 BEADMN C[C@@H](CO)N[C@H](c1ccccc1)c1ccccn1 ZINC000035603383 343299763 /nfs/dbraw/zinc/29/97/63/343299763.db2.gz SLTZWDHBDMWPSA-SWLSCSKDSA-N 0 1 242.322 2.141 20 0 BEADMN C[C@H](CO)N[C@@H](c1ccccc1)c1ccccn1 ZINC000035603381 343299780 /nfs/dbraw/zinc/29/97/80/343299780.db2.gz SLTZWDHBDMWPSA-DOMZBBRYSA-N 0 1 242.322 2.141 20 0 BEADMN C[C@@H](O)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000035718806 343302494 /nfs/dbraw/zinc/30/24/94/343302494.db2.gz WZHPXSOKHJBVAY-SECBINFHSA-N 0 1 241.281 2.310 20 0 BEADMN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CC[C@H](C)C2)c1 ZINC000634691191 343379036 /nfs/dbraw/zinc/37/90/36/343379036.db2.gz BTTLSJLFBMGAGO-GWCFXTLKSA-N 0 1 249.310 2.163 20 0 BEADMN CC/C=C\CCn1cc(C(C)(C)NC)nn1 ZINC000641065562 362172345 /nfs/dbraw/zinc/17/23/45/362172345.db2.gz GZKGCOBJHPQRGZ-SREVYHEPSA-N 0 1 222.336 2.089 20 0 BEADMN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccco1 ZINC000038013709 343365496 /nfs/dbraw/zinc/36/54/96/343365496.db2.gz FESKAXZELUUSED-MNOVXSKESA-N 0 1 238.331 2.235 20 0 BEADMN CC[C@@H]1CC[C@H](C)N(Cc2nc(C)no2)C1 ZINC000335651957 136305410 /nfs/dbraw/zinc/30/54/10/136305410.db2.gz QSPQHOLAJODTLX-GXSJLCMTSA-N 0 1 223.320 2.389 20 0 BEADMN CCc1nc(CN[C@H](CC)COC)cs1 ZINC000070658474 343337702 /nfs/dbraw/zinc/33/77/02/343337702.db2.gz IUBKXFJLBDCAKK-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CSCC[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000569858221 323043084 /nfs/dbraw/zinc/04/30/84/323043084.db2.gz SOMBRMXOUQSTCN-UHFFFAOYSA-N 0 1 245.369 2.241 20 0 BEADMN Cc1noc([C@@H](C)NC2Cc3ccccc3C2)n1 ZINC000335656797 136306589 /nfs/dbraw/zinc/30/65/89/136306589.db2.gz JQWYKIRPBPZHJS-SECBINFHSA-N 0 1 243.310 2.196 20 0 BEADMN CN(Cc1ccn(C)n1)C1CC(C)(C)C1 ZINC000335658536 136307201 /nfs/dbraw/zinc/30/72/01/136307201.db2.gz ZWDDOMHYIHHMCS-UHFFFAOYSA-N 0 1 207.321 2.041 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cncc(F)c2)C1 ZINC000335669853 136312633 /nfs/dbraw/zinc/31/26/33/136312633.db2.gz PIWOPLURDHUMKH-ZDUSSCGKSA-N 0 1 238.306 2.222 20 0 BEADMN CN[C@H](C)c1cn([C@@H](C)c2cccc(C)c2)nn1 ZINC000641075776 362185052 /nfs/dbraw/zinc/18/50/52/362185052.db2.gz XKZJXAQKWZJNCX-NEPJUHHUSA-N 0 1 244.342 2.476 20 0 BEADMN CCc1ccccc1Cn1cc([C@@H](C)NC)nn1 ZINC000641078061 362186881 /nfs/dbraw/zinc/18/68/81/362186881.db2.gz WQUSDLDIMZGFBD-LLVKDONJSA-N 0 1 244.342 2.169 20 0 BEADMN CNC(C)(C)c1cn(C[C@@H](C)CC(C)C)nn1 ZINC000641077871 362187848 /nfs/dbraw/zinc/18/78/48/362187848.db2.gz SQKBKNYWOBPPPN-NSHDSACASA-N 0 1 238.379 2.415 20 0 BEADMN CN[C@@H](C)c1cn([C@@H](C)c2ccccc2C)nn1 ZINC000641078565 362188842 /nfs/dbraw/zinc/18/88/42/362188842.db2.gz DSAXYWUNZNEFRI-RYUDHWBXSA-N 0 1 244.342 2.476 20 0 BEADMN CN[C@@H](C)c1cn([C@H](C)c2ccccc2C)nn1 ZINC000641078564 362188896 /nfs/dbraw/zinc/18/88/96/362188896.db2.gz DSAXYWUNZNEFRI-NWDGAFQWSA-N 0 1 244.342 2.476 20 0 BEADMN Cc1nc(CNCC2(O)CCCCC2)cs1 ZINC000041010858 343412631 /nfs/dbraw/zinc/41/26/31/343412631.db2.gz HDNKKUQPBCKIOV-UHFFFAOYSA-N 0 1 240.372 2.236 20 0 BEADMN CCc1nc(CN[C@H](C)CCOC)cs1 ZINC000082367497 343439182 /nfs/dbraw/zinc/43/91/82/343439182.db2.gz UQVYAFJGTHSIRX-SECBINFHSA-N 0 1 228.361 2.220 20 0 BEADMN CC1(C)CCCN(Cc2ncccn2)CC1 ZINC000335726927 136347606 /nfs/dbraw/zinc/34/76/06/136347606.db2.gz KLPIGUMAHJDSAS-UHFFFAOYSA-N 0 1 219.332 2.489 20 0 BEADMN c1c(CNC2CC2)nnn1CC12CCC(CC1)C2 ZINC000641085724 362208534 /nfs/dbraw/zinc/20/85/34/362208534.db2.gz ASIBNLTUHDNYEZ-UHFFFAOYSA-N 0 1 246.358 2.110 20 0 BEADMN C[C@H]1CC[C@]2(CCN(Cc3nccn3C)C2)C1 ZINC000335736781 136350776 /nfs/dbraw/zinc/35/07/76/136350776.db2.gz AKFZFZBVEDMDGO-JSGCOSHPSA-N 0 1 233.359 2.432 20 0 BEADMN C[C@@H]1CCCC[C@H]1Cn1cc(CNC2CC2)nn1 ZINC000641088119 362210251 /nfs/dbraw/zinc/21/02/51/362210251.db2.gz LDLKCJMLZCZVCP-NEPJUHHUSA-N 0 1 248.374 2.356 20 0 BEADMN C[C@H]1CCCC[C@@H]1Cn1cc(CNC2CC2)nn1 ZINC000641088120 362211657 /nfs/dbraw/zinc/21/16/57/362211657.db2.gz LDLKCJMLZCZVCP-NWDGAFQWSA-N 0 1 248.374 2.356 20 0 BEADMN CC(C)=CCN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000335683192 136329181 /nfs/dbraw/zinc/32/91/81/136329181.db2.gz TYKGXUJQBLNSDQ-KBPBESRZSA-N 0 1 239.359 2.223 20 0 BEADMN Cc1nnc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000042123340 343429613 /nfs/dbraw/zinc/42/96/13/343429613.db2.gz OALFYHAUOZEOJY-QMMMGPOBSA-N 0 1 221.304 2.141 20 0 BEADMN CCN1C[C@H](C)N(C(=O)c2ccccc2)[C@@H](C)C1 ZINC000335717109 136339724 /nfs/dbraw/zinc/33/97/24/136339724.db2.gz ALNCRVHOHKLGHR-STQMWFEESA-N 0 1 246.354 2.241 20 0 BEADMN C[C@@H]1C[C@@H](N(C)C(=O)CC2(C)CC2)CC[N@H+]1C ZINC000335720024 136340779 /nfs/dbraw/zinc/34/07/79/136340779.db2.gz GYLYYGQIJVHRPL-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1C[C@H](N(C)C(=O)CC2(C)CC2)CC[N@H+]1C ZINC000335720025 136340967 /nfs/dbraw/zinc/34/09/67/136340967.db2.gz GYLYYGQIJVHRPL-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC(C)[C@@H](C)CC(=O)NCCN1CC=CCC1 ZINC000350075398 136354034 /nfs/dbraw/zinc/35/40/34/136354034.db2.gz JONWBHZOXKILQX-ZDUSSCGKSA-N 0 1 238.375 2.047 20 0 BEADMN CN(C(=O)c1cnc[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000335843185 136354508 /nfs/dbraw/zinc/35/45/08/136354508.db2.gz JYDBDVOYVAQPRF-SECBINFHSA-N 0 1 221.304 2.060 20 0 BEADMN CC(C)c1nnc(C[N@H+]2[C@H](C)CC[C@@H]2C)[nH]1 ZINC000335854531 136355907 /nfs/dbraw/zinc/35/59/07/136355907.db2.gz HHOKSRZNVQTQBB-AOOOYVTPSA-N 0 1 222.336 2.301 20 0 BEADMN F[C@@H]1CCC[C@@H]1NCc1cnn2ccccc12 ZINC000335897073 136359346 /nfs/dbraw/zinc/35/93/46/136359346.db2.gz BZJBHKIRGFPJFI-NEPJUHHUSA-N 0 1 233.290 2.315 20 0 BEADMN COCCCCSCc1n[nH]c(C2CC2)n1 ZINC000350802538 136363411 /nfs/dbraw/zinc/36/34/11/136363411.db2.gz NXNYABSMHNBRBZ-UHFFFAOYSA-N 0 1 241.360 2.342 20 0 BEADMN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H](O)C1 ZINC000351096013 136367494 /nfs/dbraw/zinc/36/74/94/136367494.db2.gz GBJQQYFPIACPMN-JFGNBEQYSA-N 0 1 246.310 2.201 20 0 BEADMN CSC1CCN([C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000602921156 349810905 /nfs/dbraw/zinc/81/09/05/349810905.db2.gz QHUGHGXOOCFDMC-QMMMGPOBSA-N 0 1 240.376 2.002 20 0 BEADMN CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)[O-] ZINC000082717779 343461183 /nfs/dbraw/zinc/46/11/83/343461183.db2.gz MEIYMSOLVDKITL-NSHDSACASA-N 0 1 225.263 2.293 20 0 BEADMN CC[C@@H]1CCCCN1Cc1nc(C)no1 ZINC000042243513 343543520 /nfs/dbraw/zinc/54/35/20/343543520.db2.gz SMDRNEMYWKWBRH-SNVBAGLBSA-N 0 1 209.293 2.143 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000577006557 365755719 /nfs/dbraw/zinc/75/57/19/365755719.db2.gz YTVQWCPZWSHNHL-JYKNGBAOSA-N 0 1 249.354 2.384 20 0 BEADMN CCC[C@@H](C(=O)N(C)CC1CN(C)C1)C(C)C ZINC000618191622 343573275 /nfs/dbraw/zinc/57/32/75/343573275.db2.gz LWCWCTGCPKWNLT-CYBMUJFWSA-N 0 1 240.391 2.079 20 0 BEADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CCC2CCC2)C1 ZINC000398722454 488223207 /nfs/dbraw/zinc/22/32/07/488223207.db2.gz JBROVVZAAFNTQB-ZDUSSCGKSA-N 0 1 225.332 2.363 20 0 BEADMN CCCCN(CC(N)=O)Cc1cc(C)ccc1C ZINC000048048616 343570291 /nfs/dbraw/zinc/57/02/91/343570291.db2.gz FZFVRVACZBSBCR-UHFFFAOYSA-N 0 1 248.370 2.391 20 0 BEADMN C[C@@H]1CCC[N@@H+](CCC2CCC2)[C@H]1C(=O)[O-] ZINC000398745574 488223396 /nfs/dbraw/zinc/22/33/96/488223396.db2.gz UHAHSXVJSDFXMB-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN CCC[C@@H](C)N(C)Cc1snnc1C ZINC000580569518 365775399 /nfs/dbraw/zinc/77/53/99/365775399.db2.gz SUJSYSBQZJQJGH-MRVPVSSYSA-N 0 1 213.350 2.467 20 0 BEADMN CC(C)[C@H](C)CNC(=O)c1cnccc1N(C)C ZINC000183693910 534944137 /nfs/dbraw/zinc/94/41/37/534944137.db2.gz IBCAIAFEOPYQQZ-LLVKDONJSA-N 0 1 249.358 2.170 20 0 BEADMN CSCCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000083411435 343599102 /nfs/dbraw/zinc/59/91/02/343599102.db2.gz PDMWDXISMGWFAC-SNVBAGLBSA-N 0 1 231.361 2.069 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1cccc(F)c1 ZINC000634697044 343635650 /nfs/dbraw/zinc/63/56/50/343635650.db2.gz YAWKBAVKOVYKOI-UHFFFAOYSA-N 0 1 249.285 2.407 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000634697181 343644536 /nfs/dbraw/zinc/64/45/36/343644536.db2.gz BWSXCQMKXXJCSE-ZYHUDNBSSA-N 0 1 225.332 2.362 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2Cc1ccccc1F ZINC000634697447 343644961 /nfs/dbraw/zinc/64/49/61/343644961.db2.gz JZJFIQREXORWFH-UHFFFAOYSA-N 0 1 249.285 2.407 20 0 BEADMN CCOC[C@H](C)NCc1nc(C)c(C)s1 ZINC000087375800 343645847 /nfs/dbraw/zinc/64/58/47/343645847.db2.gz AGPVEEBFODVQOW-QMMMGPOBSA-N 0 1 228.361 2.275 20 0 BEADMN CC[C@@H]1CCCCN1CC[NH2+]Cc1ccccn1 ZINC000053375312 343647414 /nfs/dbraw/zinc/64/74/14/343647414.db2.gz HIKJDZPCQIALMY-OAHLLOKOSA-N 0 1 247.386 2.436 20 0 BEADMN CCC[N@H+]1CC[C@@H](Nc2nccc(C)c2C#N)C1 ZINC000389228180 343624728 /nfs/dbraw/zinc/62/47/28/343624728.db2.gz HYQGLXMDIJNEKT-GFCCVEGCSA-N 0 1 244.342 2.158 20 0 BEADMN O=C([O-])C12CCC(CC1)[N@H+]2CC1CCCC1 ZINC000634695934 343628631 /nfs/dbraw/zinc/62/86/31/343628631.db2.gz CSKVTXHJVSTDFD-UHFFFAOYSA-N 0 1 223.316 2.258 20 0 BEADMN Cc1nccc(N[C@@H]2C[C@H](C)O[C@@H]2C)c1Cl ZINC000384561658 343629261 /nfs/dbraw/zinc/62/92/61/343629261.db2.gz HVTAXJOMQXIODI-JVUFJMBOSA-N 0 1 240.734 2.443 20 0 BEADMN Cc1nc([C@@H](C)N[C@H](CO)CC2CC2)cs1 ZINC000390609328 537799199 /nfs/dbraw/zinc/79/91/99/537799199.db2.gz DPPVRKFEIYSAHP-KCJUWKMLSA-N 0 1 240.372 2.263 20 0 BEADMN Cc1ccc([C@H](C)N(C)CC(=O)NC2CC2)cc1 ZINC000047959520 343674787 /nfs/dbraw/zinc/67/47/87/343674787.db2.gz DOLVBJPICDECQX-LBPRGKRZSA-N 0 1 246.354 2.266 20 0 BEADMN Cc1ccc([C@@H](C)N(C)CC(=O)N(C)C)cc1 ZINC000047959485 343674880 /nfs/dbraw/zinc/67/48/80/343674880.db2.gz NVHPXBGLRBOUEI-GFCCVEGCSA-N 0 1 234.343 2.076 20 0 BEADMN CCc1nc(CN(C)c2ccccc2C)n[nH]1 ZINC000622764327 343649321 /nfs/dbraw/zinc/64/93/21/343649321.db2.gz DUIUWSGTYDHXHV-UHFFFAOYSA-N 0 1 230.315 2.312 20 0 BEADMN CCO[C@H]1C[C@H]1NCc1ccc(CC)o1 ZINC000379949505 343659539 /nfs/dbraw/zinc/65/95/39/343659539.db2.gz SJHUOAVGAJNWSF-NEPJUHHUSA-N 0 1 209.289 2.109 20 0 BEADMN CN(CC1CCCCC1)C(=O)c1ccn[nH]1 ZINC000048031947 343703585 /nfs/dbraw/zinc/70/35/85/343703585.db2.gz DMJOBTSTQJTOFN-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN CC(C)N(C)C(=O)C[N@@H+](C)CC1CCCCC1 ZINC000048044815 343704430 /nfs/dbraw/zinc/70/44/30/343704430.db2.gz IRZBCUHUQIRISP-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN c1nc2c([nH]1)CN([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000625434724 343735736 /nfs/dbraw/zinc/73/57/36/343735736.db2.gz GMBOTZMJDZRKCY-WFASDCNBSA-N 0 1 239.322 2.324 20 0 BEADMN CCS[C@H]1CCCC[N@H+]([C@H](C)C(=O)[O-])C1 ZINC000261531470 349849801 /nfs/dbraw/zinc/84/98/01/349849801.db2.gz GQDQFOYHSQDZHR-ZJUUUORDSA-N 0 1 231.361 2.067 20 0 BEADMN Cc1ccccc1CCC[N@@H+](CC(=O)[O-])C1CC1 ZINC000576352923 343742785 /nfs/dbraw/zinc/74/27/85/343742785.db2.gz ISAMTONOCPKJKL-UHFFFAOYSA-N 0 1 247.338 2.477 20 0 BEADMN COc1ccnc(NCc2nc(C)c(C)[nH]2)c1 ZINC000517758787 343711056 /nfs/dbraw/zinc/71/10/56/343711056.db2.gz FCWDHUGGIOUPMX-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN CCC1(CNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000557634354 343715272 /nfs/dbraw/zinc/71/52/72/343715272.db2.gz ASCBIUHGTCDBCM-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1cc(C(=O)NCc2cnc[nH]2)c(C)s1 ZINC000084081651 343721753 /nfs/dbraw/zinc/72/17/53/343721753.db2.gz QOELQJCKVATKLS-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1CCC(C)(F)CC1 ZINC000602993099 349847591 /nfs/dbraw/zinc/84/75/91/349847591.db2.gz PSRCBUQFLPAMGM-LLVKDONJSA-N 0 1 245.338 2.398 20 0 BEADMN CN(CC(=O)Nc1ccc(F)cc1)C1CCC1 ZINC000487868451 529837771 /nfs/dbraw/zinc/83/77/71/529837771.db2.gz FDRKKMJRHYXSHI-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN C[C@H]1CC[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000336448804 537811521 /nfs/dbraw/zinc/81/15/21/537811521.db2.gz VQOXACVSACJTJT-OIBJUYFYSA-N 0 1 247.273 2.230 20 0 BEADMN CCc1nc(CNCC(O)(CC)CC)cs1 ZINC000063917910 343754822 /nfs/dbraw/zinc/75/48/22/343754822.db2.gz MYCGPVKCHCULNX-UHFFFAOYSA-N 0 1 242.388 2.346 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H]3C[C@H]3C2)n[nH]1 ZINC000619346946 343757056 /nfs/dbraw/zinc/75/70/56/343757056.db2.gz HJFXYQGUKIWJOL-UWVGGRQHSA-N 0 1 233.315 2.015 20 0 BEADMN CC[N@H+](Cc1cc(C(N)=O)cs1)CC(C)C ZINC000179302316 346980459 /nfs/dbraw/zinc/98/04/59/346980459.db2.gz ZXTHGOCWMIEWES-UHFFFAOYSA-N 0 1 240.372 2.325 20 0 BEADMN CCCN(C(=O)c1cc(CC)[nH]n1)C(C)C ZINC000573019012 323060971 /nfs/dbraw/zinc/06/09/71/323060971.db2.gz KQKLWHVIFCNTTM-UHFFFAOYSA-N 0 1 223.320 2.233 20 0 BEADMN CC[C@H](C)CNC(=O)c1ccc2cncn2c1 ZINC000421597999 192366807 /nfs/dbraw/zinc/36/68/07/192366807.db2.gz YCLIJGXALHEEND-JTQLQIEISA-N 0 1 231.299 2.110 20 0 BEADMN CCC[C@@H](C)CCC[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000625483421 343881892 /nfs/dbraw/zinc/88/18/92/343881892.db2.gz HBPFPWSJXAOSHS-SNVBAGLBSA-N 0 1 241.335 2.423 20 0 BEADMN C[C@@H]1CCN(CC(=O)NCC(C)(C)C)[C@H](C)C1 ZINC000625484900 343883670 /nfs/dbraw/zinc/88/36/70/343883670.db2.gz QEMXRCLXXOHHII-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H](C)N1CCO[C@@H](c2ccco2)C1 ZINC000248372660 537831668 /nfs/dbraw/zinc/83/16/68/537831668.db2.gz BLJODMSZHXJVIG-ZYHUDNBSSA-N 0 1 209.289 2.451 20 0 BEADMN c1cc2c(s1)CCN(Cc1cnc[nH]1)C2 ZINC000179887404 347001942 /nfs/dbraw/zinc/00/19/42/347001942.db2.gz UFEDRMSRKNUNOB-UHFFFAOYSA-N 0 1 219.313 2.030 20 0 BEADMN Cc1nnc(CN2CCCC[C@H](C)C2)o1 ZINC000187914197 343868284 /nfs/dbraw/zinc/86/82/84/343868284.db2.gz WCZYSTQOXZBYDA-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN CC(C)n1cc(C[N@@H+](C)C[C@H]2CCCO2)cn1 ZINC000179977545 347005859 /nfs/dbraw/zinc/00/58/59/347005859.db2.gz VWQFGSCAMPATSB-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CC(C)n1cc(CN(C)C[C@H]2CCCO2)cn1 ZINC000179977545 347005863 /nfs/dbraw/zinc/00/58/63/347005863.db2.gz VWQFGSCAMPATSB-CYBMUJFWSA-N 0 1 237.347 2.075 20 0 BEADMN CCC[C@@H](C)CCCN1CCn2nncc2C1 ZINC000625518640 343915858 /nfs/dbraw/zinc/91/58/58/343915858.db2.gz YGBYCSASTCOSAI-GFCCVEGCSA-N 0 1 236.363 2.310 20 0 BEADMN CCCN(Cc1nc(C)c[nH]1)CC1CC1 ZINC000628116957 343965823 /nfs/dbraw/zinc/96/58/23/343965823.db2.gz MHYDZJONHSHQJD-UHFFFAOYSA-N 0 1 207.321 2.340 20 0 BEADMN CCCCCc1cc(C(=O)N2CC[C@H]2C)n[nH]1 ZINC000641246286 362315238 /nfs/dbraw/zinc/31/52/38/362315238.db2.gz DHUJZJHCBCLFNN-SNVBAGLBSA-N 0 1 235.331 2.377 20 0 BEADMN Cc1nccc(CN2CCCC(F)(F)CC2)n1 ZINC000625770103 344065191 /nfs/dbraw/zinc/06/51/91/344065191.db2.gz GHMLGRIXIFSNGJ-UHFFFAOYSA-N 0 1 241.285 2.406 20 0 BEADMN FC1(F)CCCN(Cc2ccno2)CC1 ZINC000625767308 344068180 /nfs/dbraw/zinc/06/81/80/344068180.db2.gz JHXWSVJOYNIGIO-UHFFFAOYSA-N 0 1 216.231 2.296 20 0 BEADMN Cc1nsc(C)c1CN(C)CC1(C)COC1 ZINC000625789988 344077478 /nfs/dbraw/zinc/07/74/78/344077478.db2.gz AAWDZWCXLSVVFN-UHFFFAOYSA-N 0 1 240.372 2.228 20 0 BEADMN CC1(C)C[N@@H+](Cc2ccccn2)CCS1 ZINC000083418945 344175900 /nfs/dbraw/zinc/17/59/00/344175900.db2.gz CYBPJMMFXJOMTB-UHFFFAOYSA-N 0 1 222.357 2.409 20 0 BEADMN CC1(C)CN(Cc2ccccn2)CCS1 ZINC000083418945 344175905 /nfs/dbraw/zinc/17/59/05/344175905.db2.gz CYBPJMMFXJOMTB-UHFFFAOYSA-N 0 1 222.357 2.409 20 0 BEADMN CN1CCCC[C@H]([N@@H+](C)Cc2ccccc2)C1=O ZINC000634736132 344127258 /nfs/dbraw/zinc/12/72/58/344127258.db2.gz AXVHONAUCRPHCF-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN CN(Cc1ccccc1)[C@H]1CCCCN(C)C1=O ZINC000634736132 344127259 /nfs/dbraw/zinc/12/72/59/344127259.db2.gz AXVHONAUCRPHCF-AWEZNQCLSA-N 0 1 246.354 2.129 20 0 BEADMN Cc1nc(CN2C3CCC2CC3)[nH]c1C ZINC000628128091 344156493 /nfs/dbraw/zinc/15/64/93/344156493.db2.gz OBMIRENHKVQLNA-UHFFFAOYSA-N 0 1 205.305 2.153 20 0 BEADMN CCC(=O)CCCN1CCO[C@H](C(F)F)CC1 ZINC000634758813 344227103 /nfs/dbraw/zinc/22/71/03/344227103.db2.gz WNMHLLBKZMBPBF-NSHDSACASA-N 0 1 249.301 2.102 20 0 BEADMN CN(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000588771180 344187079 /nfs/dbraw/zinc/18/70/79/344187079.db2.gz QGBCZTTXGRFUQQ-CQSZACIVSA-N 0 1 246.354 2.084 20 0 BEADMN C[N@@H+](Cc1ccsc1C(=O)[O-])C1CCC1 ZINC000127582554 344198440 /nfs/dbraw/zinc/19/84/40/344198440.db2.gz WISMNLTZBHYTPY-UHFFFAOYSA-N 0 1 225.313 2.431 20 0 BEADMN Cc1cnccc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000384874220 344202683 /nfs/dbraw/zinc/20/26/83/344202683.db2.gz RRPNBEPBDADZQJ-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1cc(C(=O)CN2CC[C@H](C)C2)c(C)[nH]1 ZINC000040719014 344245360 /nfs/dbraw/zinc/24/53/60/344245360.db2.gz CDFKHRVDMOUIFK-VIFPVBQESA-N 0 1 220.316 2.156 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NCc1ncnn1C(C)C ZINC000384938002 344270560 /nfs/dbraw/zinc/27/05/60/344270560.db2.gz AAUYOVQJNSBVTN-VXGBXAGGSA-N 0 1 236.363 2.383 20 0 BEADMN CCCN(CC(=O)NC)Cc1cc(C)ccc1C ZINC000056508485 344297248 /nfs/dbraw/zinc/29/72/48/344297248.db2.gz SACBWBWVJYRXNM-UHFFFAOYSA-N 0 1 248.370 2.261 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1[nH]nc2c1CCCC2 ZINC000098103731 344282216 /nfs/dbraw/zinc/28/22/16/344282216.db2.gz CYFFLWBLHWLBQJ-ZJUUUORDSA-N 0 1 249.358 2.453 20 0 BEADMN Cc1nc([C@H](C)S[C@H]2COC(C)(C)C2)n[nH]1 ZINC000600568434 344282776 /nfs/dbraw/zinc/28/27/76/344282776.db2.gz BWUUDPLTUVFFPD-IONNQARKSA-N 0 1 241.360 2.475 20 0 BEADMN CC[C@@H]1CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000091919634 344286774 /nfs/dbraw/zinc/28/67/74/344286774.db2.gz HRQIDDBUCFSSGF-LLVKDONJSA-N 0 1 207.321 2.340 20 0 BEADMN O=C(NCC(F)F)c1ccc(O)c(Cl)c1 ZINC000131969279 344241496 /nfs/dbraw/zinc/24/14/96/344241496.db2.gz AVMSPGAXDGPIOZ-UHFFFAOYSA-N 0 1 235.617 2.041 20 0 BEADMN C[N@@H+](Cc1cccc(F)c1)[C@@H](C(=O)[O-])C1CC1 ZINC000088795624 344241866 /nfs/dbraw/zinc/24/18/66/344241866.db2.gz FZCWWUQGAAJCMX-GFCCVEGCSA-N 0 1 237.274 2.121 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCCc2ccccc2C1 ZINC000088796517 344242103 /nfs/dbraw/zinc/24/21/03/344242103.db2.gz HJACLSQAUHBKHO-AWEZNQCLSA-N 0 1 245.322 2.298 20 0 BEADMN CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000570808094 323071295 /nfs/dbraw/zinc/07/12/95/323071295.db2.gz BPFIADGTJGWDIC-CMPLNLGQSA-N 0 1 236.315 2.185 20 0 BEADMN CCc1nc(CN[C@@H](CO)C(C)(C)C)cs1 ZINC000278850874 344314920 /nfs/dbraw/zinc/31/49/20/344314920.db2.gz RLJYMUFCVIBBPQ-JTQLQIEISA-N 0 1 242.388 2.202 20 0 BEADMN CS[C@@H]1CCC[C@H](NCc2csnn2)C1 ZINC000133187820 344315093 /nfs/dbraw/zinc/31/50/93/344315093.db2.gz GFIYXWKWQIQAMP-WCBMZHEXSA-N 0 1 243.401 2.302 20 0 BEADMN Cc1noc(C)c1[C@H](C)NCc1cccn1C ZINC000084224992 344329884 /nfs/dbraw/zinc/32/98/84/344329884.db2.gz AOZDTEBORMGLCG-VIFPVBQESA-N 0 1 233.315 2.481 20 0 BEADMN C[C@](N)(C(=O)N1CCC(C)(C)C1)c1ccccc1 ZINC000094802033 344330842 /nfs/dbraw/zinc/33/08/42/344330842.db2.gz FCKGLLPAKFLTQU-OAHLLOKOSA-N 0 1 246.354 2.119 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000094762768 344330908 /nfs/dbraw/zinc/33/09/08/344330908.db2.gz DNECKWZZDNEZKE-UHFFFAOYSA-N 0 1 234.299 2.154 20 0 BEADMN C[C@H]1CCC[C@H](CNCc2csnn2)C1 ZINC000132603372 344305298 /nfs/dbraw/zinc/30/52/98/344305298.db2.gz QJFTUEBMHOQWMP-UWVGGRQHSA-N 0 1 225.361 2.454 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000092925884 344305407 /nfs/dbraw/zinc/30/54/07/344305407.db2.gz GXYOGDKTLGFCGI-AAEUAGOBSA-N 0 1 233.311 2.290 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])o3)C[C@@H]21 ZINC000380452342 344369733 /nfs/dbraw/zinc/36/97/33/344369733.db2.gz MBOJNVCJDIQWIC-AOOOYVTPSA-N 0 1 235.283 2.066 20 0 BEADMN CCN(Cc1nc(N)c2ccccc2n1)C(C)C ZINC000181129172 347049985 /nfs/dbraw/zinc/04/99/85/347049985.db2.gz KJOZUNRDZLQVGI-UHFFFAOYSA-N 0 1 244.342 2.442 20 0 BEADMN CCc1nc(CN[C@](C)(CO)C(C)C)cs1 ZINC000309948407 344478376 /nfs/dbraw/zinc/47/83/76/344478376.db2.gz FDHQTBOKXPQLNT-GFCCVEGCSA-N 0 1 242.388 2.202 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cscn1 ZINC000381197061 344483955 /nfs/dbraw/zinc/48/39/55/344483955.db2.gz BGYXJFDFXQEKNN-XNDJQWLSSA-N 0 1 238.356 2.361 20 0 BEADMN CCc1nnc(CN[C@H]2CC[C@@H]2C2CC2)s1 ZINC000336776961 537846890 /nfs/dbraw/zinc/84/68/90/537846890.db2.gz GZUQVTLBNHHLHQ-ZJUUUORDSA-N 0 1 237.372 2.379 20 0 BEADMN Cc1nn(C)c(C)c1CNCc1cccnc1C ZINC000381334465 344496499 /nfs/dbraw/zinc/49/64/99/344496499.db2.gz IXPDYLBORIYGGG-UHFFFAOYSA-N 0 1 244.342 2.030 20 0 BEADMN C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CCCC1(F)F ZINC000672622425 488262437 /nfs/dbraw/zinc/26/24/37/488262437.db2.gz HXKBVKPZESCKDM-JLLWLGSASA-N 0 1 244.329 2.247 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381557107 344521333 /nfs/dbraw/zinc/52/13/33/344521333.db2.gz VTECWOYCWRABDH-ZJUUUORDSA-N 0 1 247.285 2.361 20 0 BEADMN CSCC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000152397828 344535738 /nfs/dbraw/zinc/53/57/38/344535738.db2.gz HUPSMFJLPOPGSB-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN CSCCN(C)Cc1c(C)nc2ccccn21 ZINC000152397828 344535740 /nfs/dbraw/zinc/53/57/40/344535740.db2.gz HUPSMFJLPOPGSB-UHFFFAOYSA-N 0 1 249.383 2.438 20 0 BEADMN C[C@H](O)CCN(C)Cc1ccccc1F ZINC000044173805 344536430 /nfs/dbraw/zinc/53/64/30/344536430.db2.gz NIVMOZVPHPDHRA-JTQLQIEISA-N 0 1 211.280 2.028 20 0 BEADMN C[N@@H+](CCCCC(=O)[O-])CC(C)(C)C ZINC000045074567 344555913 /nfs/dbraw/zinc/55/59/13/344555913.db2.gz RSQXRXILKBBWSO-UHFFFAOYSA-N 0 1 201.310 2.219 20 0 BEADMN CCC1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000037822528 344592906 /nfs/dbraw/zinc/59/29/06/344592906.db2.gz OXGQGMMPTGSIGE-CQSZACIVSA-N 0 1 246.354 2.335 20 0 BEADMN CC(C)=CCCN1CCO[C@@H](CCF)C1 ZINC000626006661 344665047 /nfs/dbraw/zinc/66/50/47/344665047.db2.gz DWFFOZVJTMEPBU-LBPRGKRZSA-N 0 1 215.312 2.403 20 0 BEADMN CC/C=C/CCN1CCO[C@@H](CCF)C1 ZINC000626004933 344667049 /nfs/dbraw/zinc/66/70/49/344667049.db2.gz QYYBSTWLORGXPN-PCAWENJQSA-N 0 1 215.312 2.403 20 0 BEADMN CC/C=C\CCN1CCO[C@H](CCF)C1 ZINC000626004934 344667072 /nfs/dbraw/zinc/66/70/72/344667072.db2.gz QYYBSTWLORGXPN-VSQXVHSFSA-N 0 1 215.312 2.403 20 0 BEADMN Cc1ccc(NC(=O)c2cn[nH]c2C(C)C)cn1 ZINC000622451092 344674981 /nfs/dbraw/zinc/67/49/81/344674981.db2.gz VRPSUTFCKZPWSG-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN COc1cccc2c1CN(C[C@H]1CCCOC1)C2 ZINC000626022440 344677501 /nfs/dbraw/zinc/67/75/01/344677501.db2.gz SXSCRSIYNPHTQN-GFCCVEGCSA-N 0 1 247.338 2.437 20 0 BEADMN Cc1cc(CCN[C@H](C)c2cscn2)on1 ZINC000309455102 347065993 /nfs/dbraw/zinc/06/59/93/347065993.db2.gz NLRPABQBVLAMNY-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccccc2C(=O)[O-])C1 ZINC000518782992 259378587 /nfs/dbraw/zinc/37/85/87/259378587.db2.gz UZGTZGBPWGETCL-LLVKDONJSA-N 0 1 233.311 2.269 20 0 BEADMN CCc1noc([C@@H](C)N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000153081531 344742481 /nfs/dbraw/zinc/74/24/81/344742481.db2.gz ZBGPWTGVAGFWRU-MXWKQRLJSA-N 0 1 235.331 2.425 20 0 BEADMN NC(=O)C1(NCc2ccc(C3CCC3)cc2)CC1 ZINC000560496644 344743572 /nfs/dbraw/zinc/74/35/72/344743572.db2.gz SHVCOPBKVLLOHT-UHFFFAOYSA-N 0 1 244.338 2.062 20 0 BEADMN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(F)cn1 ZINC000309457174 347066743 /nfs/dbraw/zinc/06/67/43/347066743.db2.gz MUZOEMNSYCHEJG-GGZOMVNGSA-N 0 1 224.279 2.049 20 0 BEADMN CN(C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000082321512 344750038 /nfs/dbraw/zinc/75/00/38/344750038.db2.gz ZEMAYUWZCYIFMD-ZDUSSCGKSA-N 0 1 232.327 2.134 20 0 BEADMN CN(C(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000082321512 344750040 /nfs/dbraw/zinc/75/00/40/344750040.db2.gz ZEMAYUWZCYIFMD-ZDUSSCGKSA-N 0 1 232.327 2.134 20 0 BEADMN CCc1cnc(CN(C)CC2CCC2)o1 ZINC000075738475 344778217 /nfs/dbraw/zinc/77/82/17/344778217.db2.gz KNMVSJOLUUNWPQ-UHFFFAOYSA-N 0 1 208.305 2.469 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccncc2)n1 ZINC000076024019 344791695 /nfs/dbraw/zinc/79/16/95/344791695.db2.gz RTSSIYRHJTYNDY-JTQLQIEISA-N 0 1 232.287 2.178 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)[C@H](C)C2)o1 ZINC000076112778 344796343 /nfs/dbraw/zinc/79/63/43/344796343.db2.gz PJLHVQNIBKMZAW-AEJSXWLSSA-N 0 1 223.320 2.281 20 0 BEADMN CCc1nnc([C@@H](C)N2CCC[C@@H]2C)o1 ZINC000076117431 344797066 /nfs/dbraw/zinc/79/70/66/344797066.db2.gz LRAUCTKFCYLRTF-DTWKUNHWSA-N 0 1 209.293 2.177 20 0 BEADMN CC[C@H](O)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076147911 344798081 /nfs/dbraw/zinc/79/80/81/344798081.db2.gz CBQZVMLVHPSURX-AEGPPILISA-N 0 1 249.354 2.219 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C=C(C1CC1)C1CC1 ZINC000076855493 344807678 /nfs/dbraw/zinc/80/76/78/344807678.db2.gz AQXFLSSJTSSDDM-UHFFFAOYSA-N 0 1 245.326 2.081 20 0 BEADMN CC[C@@H]1CCCN(Cc2nc(C)c[nH]2)C1 ZINC000628145574 344820994 /nfs/dbraw/zinc/82/09/94/344820994.db2.gz PJYIXMLOMZUQLQ-LLVKDONJSA-N 0 1 207.321 2.340 20 0 BEADMN COC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1OC ZINC000076711026 344808655 /nfs/dbraw/zinc/80/86/55/344808655.db2.gz AWQCUNYKLSXHFG-LBPRGKRZSA-N 0 1 237.343 2.470 20 0 BEADMN CCCN(CC(=O)OCC)C[C@H](C)CC ZINC000050428217 344821084 /nfs/dbraw/zinc/82/10/84/344821084.db2.gz KFRNVZPCOUSIEH-LLVKDONJSA-N 0 1 215.337 2.308 20 0 BEADMN CO[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000077279159 344815044 /nfs/dbraw/zinc/81/50/44/344815044.db2.gz RXVNUOHSBDDAHJ-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC(=O)[O-])[C@@H](C)CC ZINC000050427010 344819531 /nfs/dbraw/zinc/81/95/31/344819531.db2.gz AJGATSOBMSQPBX-ZJUUUORDSA-N 0 1 201.310 2.218 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@H](C)CC2)n1 ZINC000628156327 344848565 /nfs/dbraw/zinc/84/85/65/344848565.db2.gz LFSKSRAISHYTCW-SNVBAGLBSA-N 0 1 207.321 2.340 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@H](C)CC2)n1 ZINC000628156326 344848656 /nfs/dbraw/zinc/84/86/56/344848656.db2.gz LFSKSRAISHYTCW-JTQLQIEISA-N 0 1 207.321 2.340 20 0 BEADMN Cc1cc(CNc2cc3c(cn2)CCC3)on1 ZINC000631145594 344854987 /nfs/dbraw/zinc/85/49/87/344854987.db2.gz MYPRUDBGCVGJDN-UHFFFAOYSA-N 0 1 229.283 2.479 20 0 BEADMN c1ccc([C@H]2CN(C[C@@H]3CCOC3)CCO2)cc1 ZINC000078455129 344870276 /nfs/dbraw/zinc/87/02/76/344870276.db2.gz AZRJAYKURJMAPI-DZGCQCFKSA-N 0 1 247.338 2.096 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC000120276710 344884204 /nfs/dbraw/zinc/88/42/04/344884204.db2.gz HXYBRBSJAOPZGJ-VXGBXAGGSA-N 0 1 249.358 2.346 20 0 BEADMN CCN1CCN(Cc2cnc(C3CC3)o2)C[C@@H]1C ZINC000628167879 344881191 /nfs/dbraw/zinc/88/11/91/344881191.db2.gz DKVWKYYTSHJHCN-NSHDSACASA-N 0 1 249.358 2.078 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@H](C)C2)[nH]c1C ZINC000628178881 344913028 /nfs/dbraw/zinc/91/30/28/344913028.db2.gz GXZFWRCHBDXGBL-DTORHVGOSA-N 0 1 207.321 2.114 20 0 BEADMN CC(C)CC(C)(C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153583318 344912349 /nfs/dbraw/zinc/91/23/49/344912349.db2.gz BMMZGYIXTNPJCT-RYUDHWBXSA-N 0 1 240.391 2.268 20 0 BEADMN CCC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000600963190 344902066 /nfs/dbraw/zinc/90/20/66/344902066.db2.gz QOUFETGIZFGKTN-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1c[nH]c(CN2CC[C@@H](C)[C@H](C)C2)n1 ZINC000628178701 344912414 /nfs/dbraw/zinc/91/24/14/344912414.db2.gz YOCUPJKETLGAGJ-NXEZZACHSA-N 0 1 207.321 2.196 20 0 BEADMN Cc1nc(CN2C[C@H](C)C[C@H]2C)[nH]c1C ZINC000628182623 344928486 /nfs/dbraw/zinc/92/84/86/344928486.db2.gz BWLAJTWBKIEAHS-RKDXNWHRSA-N 0 1 207.321 2.257 20 0 BEADMN Cc1nc(CN2C[C@@H](C)C[C@@H]2C)[nH]c1C ZINC000628182622 344928507 /nfs/dbraw/zinc/92/85/07/344928507.db2.gz BWLAJTWBKIEAHS-IUCAKERBSA-N 0 1 207.321 2.257 20 0 BEADMN Cc1c[nH]c(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000628179103 344914302 /nfs/dbraw/zinc/91/43/02/344914302.db2.gz NZQNJNLAZPBEIF-ONGXEEELSA-N 0 1 207.321 2.339 20 0 BEADMN CCNC(=O)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000078873191 344916229 /nfs/dbraw/zinc/91/62/29/344916229.db2.gz LPNPEWDUNKRJEG-AWEZNQCLSA-N 0 1 246.354 2.268 20 0 BEADMN Cc1ncc(CN(C)CCCOC(C)C)o1 ZINC000628180309 344918176 /nfs/dbraw/zinc/91/81/76/344918176.db2.gz JUUFRQYVCSUHAZ-UHFFFAOYSA-N 0 1 226.320 2.230 20 0 BEADMN CCN(Cc1nc(C)c(C)[nH]1)C1CCC1 ZINC000628181662 344921046 /nfs/dbraw/zinc/92/10/46/344921046.db2.gz LGTNXBVDRXMYFC-UHFFFAOYSA-N 0 1 207.321 2.401 20 0 BEADMN CC(C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000588939030 344952324 /nfs/dbraw/zinc/95/23/24/344952324.db2.gz ONCOXNQGTAMESV-UHFFFAOYSA-N 0 1 228.380 2.127 20 0 BEADMN CCN1CCC[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628199057 344965664 /nfs/dbraw/zinc/96/56/64/344965664.db2.gz ZSNJFPVQFXBXHV-LBPRGKRZSA-N 0 1 249.358 2.126 20 0 BEADMN Cc1ncc(CN[C@@H]2C[C@H]2c2ccco2)o1 ZINC000628313204 344940365 /nfs/dbraw/zinc/94/03/65/344940365.db2.gz GXDYDLLNZUALMY-GHMZBOCLSA-N 0 1 218.256 2.222 20 0 BEADMN Cc1ncc(CN(C)CCc2nccs2)o1 ZINC000628188325 344941073 /nfs/dbraw/zinc/94/10/73/344941073.db2.gz WLFYOWUUUCASIJ-UHFFFAOYSA-N 0 1 237.328 2.114 20 0 BEADMN CCN(Cc1ccccc1C)CC1OCCO1 ZINC000122193945 344950168 /nfs/dbraw/zinc/95/01/68/344950168.db2.gz GCXXPPHYMXCTDQ-UHFFFAOYSA-N 0 1 235.327 2.190 20 0 BEADMN CCOC[C@H](C)NCc1noc2ccccc12 ZINC000566473518 345050561 /nfs/dbraw/zinc/05/05/61/345050561.db2.gz CEQRRXKBPFCQDH-JTQLQIEISA-N 0 1 234.299 2.342 20 0 BEADMN C[C@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)N1 ZINC000154259223 345022633 /nfs/dbraw/zinc/02/26/33/345022633.db2.gz PFGQGHCARZDQQT-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)N1 ZINC000154259122 345022727 /nfs/dbraw/zinc/02/27/27/345022727.db2.gz PFGQGHCARZDQQT-PHIMTYICSA-N 0 1 226.364 2.022 20 0 BEADMN CC[C@@H](O)[C@H]1CCCCN1Cc1nccs1 ZINC000125515190 345081116 /nfs/dbraw/zinc/08/11/16/345081116.db2.gz VGWMRFFBWRAHQF-GHMZBOCLSA-N 0 1 240.372 2.269 20 0 BEADMN CC[C@H](C)N1CCN(c2ccncc2F)CC1 ZINC000641630150 362560055 /nfs/dbraw/zinc/56/00/55/362560055.db2.gz TUCULHTVFRFCHB-NSHDSACASA-N 0 1 237.322 2.141 20 0 BEADMN C[C@@H]1OCCN(CCN(C)c2ccccc2)[C@H]1C ZINC000156442035 345163717 /nfs/dbraw/zinc/16/37/17/345163717.db2.gz AWGHLWHVLKTUNA-KBPBESRZSA-N 0 1 248.370 2.232 20 0 BEADMN C[C@@H](CF)NCc1ccc2nccnc2c1 ZINC000634981014 345164363 /nfs/dbraw/zinc/16/43/63/345164363.db2.gz UNYJKJMLLFGFKZ-VIFPVBQESA-N 0 1 219.263 2.077 20 0 BEADMN c1cc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)no1 ZINC000634985451 345165037 /nfs/dbraw/zinc/16/50/37/345165037.db2.gz UDJMXBRZIJOPGW-STQMWFEESA-N 0 1 236.315 2.112 20 0 BEADMN C[C@@]1(CCNCc2ccon2)CC1(F)F ZINC000634985797 345165318 /nfs/dbraw/zinc/16/53/18/345165318.db2.gz CTUJFTWUMSIOFZ-SECBINFHSA-N 0 1 216.231 2.200 20 0 BEADMN OC[C@H](CC1CCCCC1)NCc1ccon1 ZINC000634984505 345168200 /nfs/dbraw/zinc/16/82/00/345168200.db2.gz UHIIFKPXLDJODB-ZDUSSCGKSA-N 0 1 238.331 2.096 20 0 BEADMN c1cc(CNCCCCNc2ccccn2)no1 ZINC000634959180 345132991 /nfs/dbraw/zinc/13/29/91/345132991.db2.gz JZWGLCPOOHLKRY-UHFFFAOYSA-N 0 1 246.314 2.052 20 0 BEADMN CC(C)(CNCc1ccon1)[C@@H]1CCCCO1 ZINC000634968250 345144315 /nfs/dbraw/zinc/14/43/15/345144315.db2.gz KFJMCEHPRSYYCT-LBPRGKRZSA-N 0 1 238.331 2.360 20 0 BEADMN Oc1ccc2c(c1)CC[C@H](NCc1ccon1)C2 ZINC000634978666 345154663 /nfs/dbraw/zinc/15/46/63/345154663.db2.gz JBKCKJJRXFXHHC-LBPRGKRZSA-N 0 1 244.294 2.027 20 0 BEADMN CC[C@@H](C)c1nc([C@H](C)NCc2ccon2)n[nH]1 ZINC000634977799 345154775 /nfs/dbraw/zinc/15/47/75/345154775.db2.gz KYOVMXFHBOXVSW-BDAKNGLRSA-N 0 1 249.318 2.157 20 0 BEADMN CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000635021642 345223768 /nfs/dbraw/zinc/22/37/68/345223768.db2.gz HPPGEDIXXAXHSN-ZJUUUORDSA-N 0 1 249.301 2.464 20 0 BEADMN C[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(C)C ZINC000635070202 345239215 /nfs/dbraw/zinc/23/92/15/345239215.db2.gz GGHJCKORAJQYQZ-QWHCGFSZSA-N 0 1 248.370 2.074 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635077881 345242294 /nfs/dbraw/zinc/24/22/94/345242294.db2.gz JTAVVZDDTQJRPI-IRCOFANPSA-N 0 1 247.342 2.208 20 0 BEADMN CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635077937 345242337 /nfs/dbraw/zinc/24/23/37/345242337.db2.gz KFUDKPULLNRFFY-GHMZBOCLSA-N 0 1 235.331 2.162 20 0 BEADMN NCc1nccn1CCSC1CCCCC1 ZINC000600965909 345250926 /nfs/dbraw/zinc/25/09/26/345250926.db2.gz CZLUAIXIPWRPRQ-UHFFFAOYSA-N 0 1 239.388 2.408 20 0 BEADMN CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C ZINC000635129608 345253724 /nfs/dbraw/zinc/25/37/24/345253724.db2.gz BGWXFHUGIUQDCT-SNVBAGLBSA-N 0 1 240.372 2.047 20 0 BEADMN O=C([O-])[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000635021447 345223419 /nfs/dbraw/zinc/22/34/19/345223419.db2.gz BSOUUPXYVKMFQG-NDBYEHHHSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)N(C)C ZINC000635149062 345259670 /nfs/dbraw/zinc/25/96/70/345259670.db2.gz GYJDDVTYTSDZIM-NWDGAFQWSA-N 0 1 234.343 2.156 20 0 BEADMN Cc1nc2cc(NC(=O)[C@@H](C)N(C)C)ccc2o1 ZINC000635149195 345259964 /nfs/dbraw/zinc/25/99/64/345259964.db2.gz MSRIKYDFMMBDSO-MRVPVSSYSA-N 0 1 247.298 2.025 20 0 BEADMN C[C@H](C(=O)N(Cc1ccccc1)C1CC1)N(C)C ZINC000635191058 345269360 /nfs/dbraw/zinc/26/93/60/345269360.db2.gz FRMPBCOMSJVPCZ-GFCCVEGCSA-N 0 1 246.354 2.128 20 0 BEADMN CCC(O)(CC)CN(C)Cc1ncc(C)s1 ZINC000626111281 345270079 /nfs/dbraw/zinc/27/00/79/345270079.db2.gz JWDFVFPYJLPELA-UHFFFAOYSA-N 0 1 242.388 2.434 20 0 BEADMN CCCC[C@H](CC)CNC(=O)[C@@H](C)N(C)C ZINC000635221516 345276436 /nfs/dbraw/zinc/27/64/36/345276436.db2.gz IZPFYDLQABMIBU-NEPJUHHUSA-N 0 1 228.380 2.269 20 0 BEADMN CCN(Cc1ccccc1C)C(=O)[C@@H](C)N(C)C ZINC000635231435 345280134 /nfs/dbraw/zinc/28/01/34/345280134.db2.gz BVWCWCPTYUDIGX-CYBMUJFWSA-N 0 1 248.370 2.294 20 0 BEADMN CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635268779 345291338 /nfs/dbraw/zinc/29/13/38/345291338.db2.gz DASDEGZYDCSPDQ-NXEZZACHSA-N 0 1 235.331 2.066 20 0 BEADMN CCC(CC)CN(CC)C(=O)[C@@H](C)N(C)C ZINC000635291006 345296385 /nfs/dbraw/zinc/29/63/85/345296385.db2.gz PIQYBNRPIIPYHX-LLVKDONJSA-N 0 1 228.380 2.221 20 0 BEADMN CO[C@@H]1CC[C@H]2OCCN(CC=C(C)C)[C@H]2C1 ZINC000158350434 345323177 /nfs/dbraw/zinc/32/31/77/345323177.db2.gz RVSXOOBHTPBZBR-HZSPNIEDSA-N 0 1 239.359 2.221 20 0 BEADMN Cc1noc([C@H](C)N[C@H]2CC[C@@H]2C2CC2)n1 ZINC000381319799 345309649 /nfs/dbraw/zinc/30/96/49/345309649.db2.gz OIRDMGXPERBWCS-XROYCOCOSA-N 0 1 221.304 2.217 20 0 BEADMN CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000635393596 345340722 /nfs/dbraw/zinc/34/07/22/345340722.db2.gz OMZBIMAMGNLCPC-VXGBXAGGSA-N 0 1 247.342 2.162 20 0 BEADMN C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)N(C)C ZINC000635403275 345349153 /nfs/dbraw/zinc/34/91/53/345349153.db2.gz HPEVFRSLHFEPAE-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN CC1(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCCC1 ZINC000635406496 345350752 /nfs/dbraw/zinc/35/07/52/345350752.db2.gz LTAFVIGSRLGCKV-GHMZBOCLSA-N 0 1 247.342 2.352 20 0 BEADMN C[C@H](C(=O)N(C1CC1)C1CCCCC1)N(C)C ZINC000635411029 345353400 /nfs/dbraw/zinc/35/34/00/345353400.db2.gz LLVBFRCGYUTZSA-LLVKDONJSA-N 0 1 238.375 2.260 20 0 BEADMN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635420700 345360370 /nfs/dbraw/zinc/36/03/70/345360370.db2.gz SARFYEHIXRBPOS-GWOFURMSSA-N 0 1 235.331 2.064 20 0 BEADMN CCc1nc(CN2CCC(C(C)C)CC2)n[nH]1 ZINC000158685137 345363494 /nfs/dbraw/zinc/36/34/94/345363494.db2.gz PCDZUZICMVYWEZ-UHFFFAOYSA-N 0 1 236.363 2.235 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635443772 345373693 /nfs/dbraw/zinc/37/36/93/345373693.db2.gz KTKFPYNLYYBZCY-HBNTYKKESA-N 0 1 235.331 2.208 20 0 BEADMN CCC[C@H](CC)NC(=O)[C@@H]1CCCCN1C ZINC000635444354 345374678 /nfs/dbraw/zinc/37/46/78/345374678.db2.gz PZDCKNVIBHKHLO-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN CCC1CCN(Cc2cn3cccnc3n2)CC1 ZINC000298798198 168528416 /nfs/dbraw/zinc/52/84/16/168528416.db2.gz MQSRMWUFRIDMLM-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN CC1(CSc2n[n-]c(=[NH2+])n2C2CC2)CCC1 ZINC000408472780 345330909 /nfs/dbraw/zinc/33/09/09/345330909.db2.gz WYCMJEGKIKDMED-UHFFFAOYSA-N 0 1 238.360 2.308 20 0 BEADMN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCCN1C ZINC000635511345 345408353 /nfs/dbraw/zinc/40/83/53/345408353.db2.gz JYXQDWXMNYDJFZ-XQQFMLRXSA-N 0 1 238.375 2.260 20 0 BEADMN C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1O ZINC000159405888 345432132 /nfs/dbraw/zinc/43/21/32/345432132.db2.gz CHHNDTQRRILDAT-JGOVJGDKSA-N 0 1 231.339 2.403 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635490293 345396627 /nfs/dbraw/zinc/39/66/27/345396627.db2.gz SHRMCAMFDTVYPC-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCCCN1C ZINC000635490293 345396630 /nfs/dbraw/zinc/39/66/30/345396630.db2.gz SHRMCAMFDTVYPC-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N(C)C ZINC000635495290 345398436 /nfs/dbraw/zinc/39/84/36/345398436.db2.gz RBJSQTSSCKVHFN-AGIUHOORSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1cc(NC(=O)[C@@H](C)N(C)C)ccc1F ZINC000635497226 345399958 /nfs/dbraw/zinc/39/99/58/345399958.db2.gz XEKILKBTXQWAFG-SECBINFHSA-N 0 1 224.279 2.023 20 0 BEADMN Cc1nc(C)c(NC(=O)c2cn[nH]c2C)s1 ZINC000081927572 345490322 /nfs/dbraw/zinc/49/03/22/345490322.db2.gz OEJWLMUMQOUMLF-UHFFFAOYSA-N 0 1 236.300 2.044 20 0 BEADMN C[C@H]1c2cccn2CC[N@@H+]1CCC(C)(C)O ZINC000081646262 345483126 /nfs/dbraw/zinc/48/31/26/345483126.db2.gz ATXAUNUUYFSNHE-NSHDSACASA-N 0 1 222.332 2.026 20 0 BEADMN C[C@H]1c2cccn2CCN1CCC(C)(C)O ZINC000081646262 345483130 /nfs/dbraw/zinc/48/31/30/345483130.db2.gz ATXAUNUUYFSNHE-NSHDSACASA-N 0 1 222.332 2.026 20 0 BEADMN Cc1ccc2c(c1)N(C(=O)[C@@H](C)N(C)C)CCC2 ZINC000635548539 345593940 /nfs/dbraw/zinc/59/39/40/345593940.db2.gz SKWYQTYYXAUALO-GFCCVEGCSA-N 0 1 246.354 2.224 20 0 BEADMN COCc1ccc(CN2CCC[C@@H](OC)C2)o1 ZINC000091772244 345604782 /nfs/dbraw/zinc/60/47/82/345604782.db2.gz IVCKNOOGTHXQJW-LLVKDONJSA-N 0 1 239.315 2.037 20 0 BEADMN CCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000091836440 345611017 /nfs/dbraw/zinc/61/10/17/345611017.db2.gz QCYFSKIBGNSMNO-UHFFFAOYSA-N 0 1 203.245 2.220 20 0 BEADMN Cn1ccc(CN2CCOCC23CCCC3)c1 ZINC000093840600 345665228 /nfs/dbraw/zinc/66/52/28/345665228.db2.gz XNHOTLINTZYUKR-UHFFFAOYSA-N 0 1 234.343 2.170 20 0 BEADMN CC(C)c1ncc(CN(C)CC(C)(C)O)s1 ZINC000093414412 345670108 /nfs/dbraw/zinc/67/01/08/345670108.db2.gz ZTTOHRUPPMHNLD-UHFFFAOYSA-N 0 1 242.388 2.469 20 0 BEADMN CN(Cc1cc(F)c(F)cc1F)CC(C)(C)O ZINC000093414736 345670999 /nfs/dbraw/zinc/67/09/99/345670999.db2.gz OPNOXAPEVIBYHG-UHFFFAOYSA-N 0 1 247.260 2.307 20 0 BEADMN Cc1ccc(O)c(C[N@H+]2CCC2(C)C)n1 ZINC000093460246 345671912 /nfs/dbraw/zinc/67/19/12/345671912.db2.gz AONVXOCRGNAXOX-UHFFFAOYSA-N 0 1 206.289 2.080 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CCC(C)C ZINC000082761052 345726576 /nfs/dbraw/zinc/72/65/76/345726576.db2.gz QTCATMLSPUOIPZ-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN CC(C)N1CCOc2cc(F)ccc2C1 ZINC000626151542 345777935 /nfs/dbraw/zinc/77/79/35/345777935.db2.gz MPKZMIPEJWSUAA-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN COCC(C)(C)NCc1cnc(C2CC2)o1 ZINC000628211305 345827059 /nfs/dbraw/zinc/82/70/59/345827059.db2.gz RBCRSZMWOZZPLR-UHFFFAOYSA-N 0 1 224.304 2.067 20 0 BEADMN C[C@H](C(=O)NC1CCC(C)(C)CC1)N(C)C ZINC000635603120 345888826 /nfs/dbraw/zinc/88/88/26/345888826.db2.gz LKVFMORYIIOPRP-SNVBAGLBSA-N 0 1 226.364 2.022 20 0 BEADMN CC(C)c1nnc(CN[C@H]2CCC[C@@H]2C)o1 ZINC000390334114 259386322 /nfs/dbraw/zinc/38/63/22/259386322.db2.gz LFXOETREJCEKGB-UWVGGRQHSA-N 0 1 223.320 2.471 20 0 BEADMN CCC(C)(C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635582480 345878758 /nfs/dbraw/zinc/87/87/58/345878758.db2.gz SINVODOFRCCGSE-NXEZZACHSA-N 0 1 235.331 2.160 20 0 BEADMN Cc1cccc(C(C)(C)NC(=O)[C@@H](C)N(C)C)c1 ZINC000635582560 345878774 /nfs/dbraw/zinc/87/87/74/345878774.db2.gz MORWRUSTEWAKAB-GFCCVEGCSA-N 0 1 248.370 2.296 20 0 BEADMN CC(C)c1nnc(CN[C@H]2CCC[C@H]2C)o1 ZINC000390334124 259386206 /nfs/dbraw/zinc/38/62/06/259386206.db2.gz LFXOETREJCEKGB-ZJUUUORDSA-N 0 1 223.320 2.471 20 0 BEADMN CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635593608 345885463 /nfs/dbraw/zinc/88/54/63/345885463.db2.gz BPDNXKITQQPBNH-GHMZBOCLSA-N 0 1 249.358 2.456 20 0 BEADMN CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)N(C)C)C1 ZINC000635629944 345904205 /nfs/dbraw/zinc/90/42/05/345904205.db2.gz JCRZDEUJFQKSPW-OCCSQVGLSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H](C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000144188301 345918197 /nfs/dbraw/zinc/91/81/97/345918197.db2.gz QWBRXAANGFMSOO-SECBINFHSA-N 0 1 231.299 2.020 20 0 BEADMN CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC1(C)C ZINC000635654703 345932981 /nfs/dbraw/zinc/93/29/81/345932981.db2.gz KFWPJOKQSZLWPG-NWDGAFQWSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635682969 345976924 /nfs/dbraw/zinc/97/69/24/345976924.db2.gz TYFRZIUXRYAUEI-GYSYKLTISA-N 0 1 247.342 2.162 20 0 BEADMN CC(C)(C)n1cc(CN2CCCC2(C)C)nn1 ZINC000191298324 345995365 /nfs/dbraw/zinc/99/53/65/345995365.db2.gz HCUJILQPRGUMGB-UHFFFAOYSA-N 0 1 236.363 2.408 20 0 BEADMN CCC[C@@H](C)CC(=O)N1CCN(C)C[C@H]1CC ZINC000570957610 323101717 /nfs/dbraw/zinc/10/17/17/323101717.db2.gz DAJQTXLGGOPBPB-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CC[C@@H]1CCCN1C(=O)[C@@H](C)N(C)C ZINC000635704205 345990406 /nfs/dbraw/zinc/99/04/06/345990406.db2.gz FNTBZKLVDJQQIC-OLZOCXBDSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)[C@@H]1C[C@H]1CNCc1ncnn1C(C)C ZINC000631151910 345966384 /nfs/dbraw/zinc/96/63/84/345966384.db2.gz MACVLPUEHFQETL-RYUDHWBXSA-N 0 1 236.363 2.241 20 0 BEADMN CC(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635722859 346031650 /nfs/dbraw/zinc/03/16/50/346031650.db2.gz CNTOBQMKWVWSPG-GMTAPVOTSA-N 0 1 235.331 2.064 20 0 BEADMN C[C@H](C(=O)NCC1(C)CCCCCC1)N(C)C ZINC000635771602 346060766 /nfs/dbraw/zinc/06/07/66/346060766.db2.gz NCYADSQKDQZWDT-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@H](C(=O)N1CC=C(C(C)(C)C)CC1)N(C)C ZINC000635762524 346046869 /nfs/dbraw/zinc/04/68/69/346046869.db2.gz ZXYAXKZYINJNNQ-LLVKDONJSA-N 0 1 238.375 2.141 20 0 BEADMN CCN(CCC1CC1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635816744 346071264 /nfs/dbraw/zinc/07/12/64/346071264.db2.gz PLRWEDPXDRPMKJ-VXGBXAGGSA-N 0 1 247.342 2.162 20 0 BEADMN FC1(CN2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000684357133 488300005 /nfs/dbraw/zinc/30/00/05/488300005.db2.gz XWLHIKFYLSYPSY-JTQLQIEISA-N 0 1 223.295 2.091 20 0 BEADMN CC1(C)CC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000635833561 346086672 /nfs/dbraw/zinc/08/66/72/346086672.db2.gz ANXMUPYRGCRZTL-GHMZBOCLSA-N 0 1 247.342 2.066 20 0 BEADMN c1cc(CN2CC3(CC3)C2)cc2c1OCC2 ZINC000449371133 201888894 /nfs/dbraw/zinc/88/88/94/201888894.db2.gz QQCKJMJRAQPDRL-UHFFFAOYSA-N 0 1 215.296 2.217 20 0 BEADMN CCc1cc(NC(=O)[C@@H](C)N(C)C)ccc1C ZINC000635775985 346062494 /nfs/dbraw/zinc/06/24/94/346062494.db2.gz HIZRSAGGRPBUIM-LLVKDONJSA-N 0 1 234.343 2.446 20 0 BEADMN CCN1CCN(C(=O)CC(C)=C(C)C)[C@H](C)C1 ZINC000635917863 346109038 /nfs/dbraw/zinc/10/90/38/346109038.db2.gz CVXLPEULBBYIRZ-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cccc(CN(C)C(=O)[C@@H](C)N(C)C)c1C ZINC000635952258 346121834 /nfs/dbraw/zinc/12/18/34/346121834.db2.gz PLRPJIYOJXTQTI-CYBMUJFWSA-N 0 1 248.370 2.212 20 0 BEADMN CC(C)=C(C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000635967329 346126592 /nfs/dbraw/zinc/12/65/92/346126592.db2.gz ADJZQMAIBMRGIT-BETUJISGSA-N 0 1 238.375 2.284 20 0 BEADMN CCn1ncnc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000193445994 346166125 /nfs/dbraw/zinc/16/61/25/346166125.db2.gz CXTYLAJKKGYHAA-RYUDHWBXSA-N 0 1 236.363 2.166 20 0 BEADMN C[C@H]1[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC000636033468 346169482 /nfs/dbraw/zinc/16/94/82/346169482.db2.gz BQXAAQPCEFRWLO-LZQZFOIKSA-N 0 1 247.342 2.016 20 0 BEADMN CCC1(NC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC000635979646 346145661 /nfs/dbraw/zinc/14/56/61/346145661.db2.gz FPXKGRDNTLZZRK-LBPRGKRZSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@H](C(=O)NC[C@H]1CCCC(C)(C)C1)N(C)C ZINC000636008484 346149475 /nfs/dbraw/zinc/14/94/75/346149475.db2.gz QCDJNIFIGBUUEX-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)[C@@H]1CN(C(=O)[C@@H](C)N(C)C)[C@H]1C(C)C ZINC000635997413 346149500 /nfs/dbraw/zinc/14/95/00/346149500.db2.gz WBOYBKBAHQJNCJ-AGIUHOORSA-N 0 1 240.391 2.076 20 0 BEADMN C[C@@H]1CN(Cc2cnc(C3CC3)o2)[C@@H](C)CN1C ZINC000628240340 346202832 /nfs/dbraw/zinc/20/28/32/346202832.db2.gz AGNDGKXQAREJPV-MNOVXSKESA-N 0 1 249.358 2.076 20 0 BEADMN Cc1nc(C)c(CNCCOCCC(C)C)o1 ZINC000311768745 346183475 /nfs/dbraw/zinc/18/34/75/346183475.db2.gz HARIQCSTOGHDDL-UHFFFAOYSA-N 0 1 240.347 2.444 20 0 BEADMN FC(F)(F)CCCCOCCc1c[nH]nn1 ZINC000419051968 192098546 /nfs/dbraw/zinc/09/85/46/192098546.db2.gz GXSAIRNNYXXIBI-UHFFFAOYSA-N 0 1 237.225 2.096 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1cnc(C2CC2)o1 ZINC000628237163 346193291 /nfs/dbraw/zinc/19/32/91/346193291.db2.gz DFNIPOYJDZAIKV-TVQRCGJNSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1ncc(CN[C@]2(C)CCO[C@H]2C2CC2)o1 ZINC000628237489 346193377 /nfs/dbraw/zinc/19/33/77/346193377.db2.gz OWGPMIAFEPIHGN-QWHCGFSZSA-N 0 1 236.315 2.030 20 0 BEADMN Cc1ncc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)o1 ZINC000628254444 346238613 /nfs/dbraw/zinc/23/86/13/346238613.db2.gz BFGVQJYIOLUSQY-ZYHUDNBSSA-N 0 1 238.331 2.108 20 0 BEADMN CO[C@H](C)CN(C)Cc1cnc(C2CC2)o1 ZINC000628276249 346286178 /nfs/dbraw/zinc/28/61/78/346286178.db2.gz XNVGVGDSBQGXME-SECBINFHSA-N 0 1 224.304 2.019 20 0 BEADMN C[C@@H](C(=O)NCC[C@H]1CCCC1(C)C)N(C)C ZINC000628270509 346280164 /nfs/dbraw/zinc/28/01/64/346280164.db2.gz ISOSFUCPMQOEFC-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](CO)CCC(C)C)no1 ZINC000624110900 346298812 /nfs/dbraw/zinc/29/88/12/346298812.db2.gz IRTXNUVNBZIKCG-NWDGAFQWSA-N 0 1 240.347 2.431 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C(C1CC1)C1CC1 ZINC000636067424 346307426 /nfs/dbraw/zinc/30/74/26/346307426.db2.gz CGNOZBCYEODWBE-UHFFFAOYSA-N 0 1 247.342 2.113 20 0 BEADMN Cc1cccc(C)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000130883111 179035616 /nfs/dbraw/zinc/03/56/16/179035616.db2.gz XFPNSNLAWSPBFJ-LBPRGKRZSA-N 0 1 233.311 2.210 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)CC(C)(C)C ZINC000636065240 346307907 /nfs/dbraw/zinc/30/79/07/346307907.db2.gz PIAQKNSLTDSODW-UHFFFAOYSA-N 0 1 223.320 2.113 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccsc1 ZINC000636065088 346307913 /nfs/dbraw/zinc/30/79/13/346307913.db2.gz QIAGVGKWCJPQEL-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](N[C@H](C)C(F)F)[C@H]1C ZINC000603429071 349950945 /nfs/dbraw/zinc/95/09/45/349950945.db2.gz LPLUOFQELBBIQH-JXUBOQSCSA-N 0 1 249.301 2.207 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000636068488 346309202 /nfs/dbraw/zinc/30/92/02/346309202.db2.gz IAMGZPKLJOSJBC-TZMCWYRMSA-N 0 1 249.358 2.359 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N(C)Cc1cn[nH]c1C ZINC000636068680 346309786 /nfs/dbraw/zinc/30/97/86/346309786.db2.gz MSJPAYUDCQDKQA-UWVGGRQHSA-N 0 1 237.347 2.359 20 0 BEADMN COC(=O)C[C@@H]1CC[C@H](N[C@@H](C)C(F)F)[C@H]1C ZINC000603429077 349951108 /nfs/dbraw/zinc/95/11/08/349951108.db2.gz LPLUOFQELBBIQH-XKNYDFJKSA-N 0 1 249.301 2.207 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cn[nH]c2C)cs1 ZINC000636069524 346310222 /nfs/dbraw/zinc/31/02/22/346310222.db2.gz RTQQKTYIMGUUTH-UHFFFAOYSA-N 0 1 249.339 2.360 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)c1ccccc1C ZINC000636073135 346312551 /nfs/dbraw/zinc/31/25/51/346312551.db2.gz IMOOTWUBCBWGDT-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CC(C)CC[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000155509007 346349336 /nfs/dbraw/zinc/34/93/36/346349336.db2.gz IPWKFXSUQGUKEX-LLVKDONJSA-N 0 1 235.331 2.451 20 0 BEADMN Cc1nsc(C)c1CN[C@@H](C)c1cn[nH]c1 ZINC000563353654 323120331 /nfs/dbraw/zinc/12/03/31/323120331.db2.gz KQBPAGGDDQDLQY-ZETCQYMHSA-N 0 1 236.344 2.334 20 0 BEADMN Cc1cccc(CN(C)CCOCC2CC2)n1 ZINC000336686999 179067921 /nfs/dbraw/zinc/06/79/21/179067921.db2.gz GJILBVSFERPTGG-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN Cc1cccc(CN2CCC[C@](F)(CO)C2)c1 ZINC000286954027 179075786 /nfs/dbraw/zinc/07/57/86/179075786.db2.gz OMYCCDRISQNMLA-CQSZACIVSA-N 0 1 237.318 2.291 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1C ZINC000003748088 179076763 /nfs/dbraw/zinc/07/67/63/179076763.db2.gz FGAXJYSCRFMWCT-ZDUSSCGKSA-N 0 1 233.311 2.352 20 0 BEADMN Cc1cccc(CN2C[C@H](O)C3(CC3)C2)c1F ZINC000336229031 179085218 /nfs/dbraw/zinc/08/52/18/179085218.db2.gz QMTQVJZUTQEMJG-LBPRGKRZSA-N 0 1 235.302 2.091 20 0 BEADMN CCC(F)(F)C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000641793833 362732616 /nfs/dbraw/zinc/73/26/16/362732616.db2.gz IFKGEWRASWKODW-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN CCC(F)(F)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000641793833 362732621 /nfs/dbraw/zinc/73/26/21/362732621.db2.gz IFKGEWRASWKODW-VIFPVBQESA-N 0 1 235.274 2.361 20 0 BEADMN C[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H](C)N1 ZINC000070076107 349965260 /nfs/dbraw/zinc/96/52/60/349965260.db2.gz ZKPZIYHTKTVFKL-VXGBXAGGSA-N 0 1 236.359 2.086 20 0 BEADMN Cc1cccc(CNCc2ccnn2C)c1 ZINC000020349262 179095600 /nfs/dbraw/zinc/09/56/00/179095600.db2.gz BUVBHVPXRXWVHQ-UHFFFAOYSA-N 0 1 215.300 2.018 20 0 BEADMN CC/C=C\CCN1CCCC[C@@H]1C(=O)OC ZINC000341318473 346508251 /nfs/dbraw/zinc/50/82/51/346508251.db2.gz MIWHNHPIEKUEKU-QMAVJUDZSA-N 0 1 225.332 2.370 20 0 BEADMN Cc1cc(C)n(CCN2CC[C@H](C)[C@H](F)C2)n1 ZINC000679227877 488322446 /nfs/dbraw/zinc/32/24/46/488322446.db2.gz UCVPVZIXNZWPNZ-GXFFZTMASA-N 0 1 239.338 2.180 20 0 BEADMN COC[C@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000187093644 346554548 /nfs/dbraw/zinc/55/45/48/346554548.db2.gz YXPAVDSAMYFHJO-VXGBXAGGSA-N 0 1 237.347 2.219 20 0 BEADMN CC(C)C[C@@H]1C[C@H]1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000580625236 365830431 /nfs/dbraw/zinc/83/04/31/365830431.db2.gz KLVLGFLSRZDEBQ-GHMZBOCLSA-N 0 1 249.358 2.238 20 0 BEADMN Cc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)n1 ZINC000336351633 179127822 /nfs/dbraw/zinc/12/78/22/179127822.db2.gz VDLVADCMFQLJEN-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(C)(C)C ZINC000563547631 323129831 /nfs/dbraw/zinc/12/98/31/323129831.db2.gz MWQDOTBMSAYINA-NXEZZACHSA-N 0 1 237.347 2.139 20 0 BEADMN O=C([O-])C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000165289569 346646467 /nfs/dbraw/zinc/64/64/67/346646467.db2.gz LQSUJTYSBMGIME-CYBMUJFWSA-N 0 1 233.311 2.168 20 0 BEADMN CC(C)CN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178245184 346663370 /nfs/dbraw/zinc/66/33/70/346663370.db2.gz JZIPNKMBRKDNIA-SNVBAGLBSA-N 0 1 238.297 2.211 20 0 BEADMN CC[C@@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589077573 346664206 /nfs/dbraw/zinc/66/42/06/346664206.db2.gz RQEDIYMUHURCKT-SNVBAGLBSA-N 0 1 244.298 2.252 20 0 BEADMN CC(C)[C@]1(C(=O)[O-])CC[N@H+](CC[C@H](C)F)C1 ZINC000580205897 346665548 /nfs/dbraw/zinc/66/55/48/346665548.db2.gz HKRTVYFWCOWLIL-JQWIXIFHSA-N 0 1 231.311 2.167 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cnn(C(C)C)c2)C1 ZINC000580637196 365835099 /nfs/dbraw/zinc/83/50/99/365835099.db2.gz XWVVXXHFBWJZHT-BETUJISGSA-N 0 1 237.347 2.073 20 0 BEADMN Cc1cccc([C@H](C)[N@@H+](C)CCC(=O)[O-])c1 ZINC000203503975 346635670 /nfs/dbraw/zinc/63/56/70/346635670.db2.gz XSCKJXLUMJEREM-NSHDSACASA-N 0 1 221.300 2.463 20 0 BEADMN Cc1cccc(NC(=O)N2C[C@H](C)N[C@@H](C)C2)c1 ZINC000070076622 179133320 /nfs/dbraw/zinc/13/33/20/179133320.db2.gz KLDDAOWHUAHMQF-RYUDHWBXSA-N 0 1 247.342 2.209 20 0 BEADMN COC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2)CCO1 ZINC000626171740 346704552 /nfs/dbraw/zinc/70/45/52/346704552.db2.gz IPRATGILPNYMOB-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN COC[C@@]1(C)CN([C@H](C)c2ccccc2)CCO1 ZINC000626171740 346704555 /nfs/dbraw/zinc/70/45/55/346704555.db2.gz IPRATGILPNYMOB-UKRRQHHQSA-N 0 1 249.354 2.485 20 0 BEADMN Cc1cccc(NC(=O)[C@@H]2CCCN2C)c1C ZINC000082323071 179139293 /nfs/dbraw/zinc/13/92/93/179139293.db2.gz QETYYNWEOPDIHI-ZDUSSCGKSA-N 0 1 232.327 2.336 20 0 BEADMN CSC1(C[N@H+]2CCc3cn[nH]c3C2)CCC1 ZINC000589501836 346708593 /nfs/dbraw/zinc/70/85/93/346708593.db2.gz GERQJPUUHSPGOI-UHFFFAOYSA-N 0 1 237.372 2.054 20 0 BEADMN CSC1(CN2CCc3c[nH]nc3C2)CCC1 ZINC000589501836 346708595 /nfs/dbraw/zinc/70/85/95/346708595.db2.gz GERQJPUUHSPGOI-UHFFFAOYSA-N 0 1 237.372 2.054 20 0 BEADMN Cc1cccc(NCCC[C@@H](C)CO)n1 ZINC000227000860 179143291 /nfs/dbraw/zinc/14/32/91/179143291.db2.gz ARVFWMLZOOBNAL-SNVBAGLBSA-N 0 1 208.305 2.211 20 0 BEADMN Cc1cccc(NCC2CCOCC2)n1 ZINC000082545004 179143886 /nfs/dbraw/zinc/14/38/86/179143886.db2.gz WXUYEIFVSZFHAK-UHFFFAOYSA-N 0 1 206.289 2.229 20 0 BEADMN CN(C)CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000589324163 346688220 /nfs/dbraw/zinc/68/82/20/346688220.db2.gz NVXJPPSVCSLAMN-CQSZACIVSA-N 0 1 246.354 2.158 20 0 BEADMN Cc1cccc(NC[C@@H](C)CCCO)n1 ZINC000294900213 179146013 /nfs/dbraw/zinc/14/60/13/179146013.db2.gz HDPVBXXLRLNESS-JTQLQIEISA-N 0 1 208.305 2.211 20 0 BEADMN Cc1cccc(NCCc2ccccn2)n1 ZINC000037670467 179146346 /nfs/dbraw/zinc/14/63/46/179146346.db2.gz RHRHTAPEQXKILD-UHFFFAOYSA-N 0 1 213.284 2.440 20 0 BEADMN CC(C)C[C@H]1CC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000307805038 346695516 /nfs/dbraw/zinc/69/55/16/346695516.db2.gz FMFPPTUNFHOBJG-ZYHUDNBSSA-N 0 1 225.332 2.218 20 0 BEADMN Cc1cccc(NC[C@@H]2CCCC[C@H]2O)n1 ZINC000082997472 179147379 /nfs/dbraw/zinc/14/73/79/179147379.db2.gz KCQHYCATZPRQIU-NWDGAFQWSA-N 0 1 220.316 2.353 20 0 BEADMN Cc1cccc(NC[C@H]2CCOC[C@H]2C)n1 ZINC000309503418 179148232 /nfs/dbraw/zinc/14/82/32/179148232.db2.gz VHLGKTBSODEPQT-ZYHUDNBSSA-N 0 1 220.316 2.475 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000580657364 365852553 /nfs/dbraw/zinc/85/25/53/365852553.db2.gz YVECZTLJYIUPAY-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(CC)CN1CC[S@@](=O)CC1(C)C ZINC000589820536 346738718 /nfs/dbraw/zinc/73/87/18/346738718.db2.gz KLKBVOCTOOTWJY-OAHLLOKOSA-N 0 1 231.405 2.266 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378655803 346796629 /nfs/dbraw/zinc/79/66/29/346796629.db2.gz APEKCFDIKWYJSY-MRVPVSSYSA-N 0 1 242.344 2.319 20 0 BEADMN Cc1c[nH]nc1CNCCOc1cccc(C)c1 ZINC000352835161 179168618 /nfs/dbraw/zinc/16/86/18/179168618.db2.gz NWCWIKDEELIEEX-UHFFFAOYSA-N 0 1 245.326 2.195 20 0 BEADMN COCCCCCN1CCC(=O)CC12CCC2 ZINC000571104723 323135673 /nfs/dbraw/zinc/13/56/73/323135673.db2.gz SXTVPPTXWMNMAC-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CCCCF)C1CCC1 ZINC000577193073 365872109 /nfs/dbraw/zinc/87/21/09/365872109.db2.gz SZXKOVFYEJDATE-SECBINFHSA-N 0 1 217.284 2.064 20 0 BEADMN CC(=O)c1cc(CN2CCCC[C@@H](C)C2)on1 ZINC000582070796 347169569 /nfs/dbraw/zinc/16/95/69/347169569.db2.gz XYSYHAIALCYHFC-SNVBAGLBSA-N 0 1 236.315 2.499 20 0 BEADMN Cc1cccc([C@@H](C)N(C)[C@@H]2CCN(C)C2=O)c1 ZINC000266721720 179178920 /nfs/dbraw/zinc/17/89/20/179178920.db2.gz HZSSYQIQFVSRSQ-TZMCWYRMSA-N 0 1 246.354 2.219 20 0 BEADMN C[C@H]1CC[C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1 ZINC000582069771 347166668 /nfs/dbraw/zinc/16/66/68/347166668.db2.gz SEMWPHMDXHKODV-FDYHWXHSSA-N 0 1 238.375 2.022 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000117208030 347166943 /nfs/dbraw/zinc/16/69/43/347166943.db2.gz HTWLNYVLGOGDES-UKOWJOKBSA-N 0 1 231.295 2.249 20 0 BEADMN Cc1nnc([C@@H](C)NCCCCCF)o1 ZINC000380097805 365877579 /nfs/dbraw/zinc/87/75/79/365877579.db2.gz KVATYOQMWDBQGS-MRVPVSSYSA-N 0 1 215.272 2.168 20 0 BEADMN Cc1nnc(NC(=O)[C@H](C)c2cccc(C)c2)[nH]1 ZINC000121212028 179178060 /nfs/dbraw/zinc/17/80/60/179178060.db2.gz NNLDOVQYPHOXCY-SECBINFHSA-N 0 1 244.298 2.164 20 0 BEADMN CCCCCOC1CN(C[C@H](C)COC)C1 ZINC000582048352 347131815 /nfs/dbraw/zinc/13/18/15/347131815.db2.gz KNEDLJNSIMCMSM-LBPRGKRZSA-N 0 1 229.364 2.160 20 0 BEADMN Cc1cccc([C@@H](C)NC(=O)CN(C)C)c1C ZINC000115726206 179180799 /nfs/dbraw/zinc/18/07/99/179180799.db2.gz YPUFMSLYRYXQQF-GFCCVEGCSA-N 0 1 234.343 2.042 20 0 BEADMN CCCC[C@H](C)[C@H](C)NCc1ncn(C)n1 ZINC000310011579 347218785 /nfs/dbraw/zinc/21/87/85/347218785.db2.gz IUAKIWSARMSXFL-QWRGUYRKSA-N 0 1 224.352 2.120 20 0 BEADMN CCCN(C[C@H](C)OC)[C@@H](CC)C(=O)OCC ZINC000190360499 347328616 /nfs/dbraw/zinc/32/86/16/347328616.db2.gz RUDDDBOPZFYSHX-RYUDHWBXSA-N 0 1 245.363 2.075 20 0 BEADMN CSc1nn(C[C@@H]2CCC[C@@H](C)C2)c(=O)[nH]1 ZINC000194582541 347334580 /nfs/dbraw/zinc/33/45/80/347334580.db2.gz CJVDJDPQWRCUIU-RKDXNWHRSA-N 0 1 241.360 2.120 20 0 BEADMN CC(C)(F)CCNC(=O)c1cccc2nc[nH]c21 ZINC000618407574 347402759 /nfs/dbraw/zinc/40/27/59/347402759.db2.gz JUCRZXPYVGBCSR-UHFFFAOYSA-N 0 1 249.289 2.431 20 0 BEADMN Cc1ncc(CN2CCSC[C@@H]2C2CC2)o1 ZINC000628299110 347409643 /nfs/dbraw/zinc/40/96/43/347409643.db2.gz CNFUNMMVTGCCJZ-GFCCVEGCSA-N 0 1 238.356 2.310 20 0 BEADMN CCc1nc(S[C@H]2CCCCCC2=O)n[nH]1 ZINC000641995830 362821491 /nfs/dbraw/zinc/82/14/91/362821491.db2.gz VYZZMWDSGKLLNI-VIFPVBQESA-N 0 1 239.344 2.361 20 0 BEADMN CCc1n[nH]c(S[C@H]2CCCCCC2=O)n1 ZINC000641995830 362821497 /nfs/dbraw/zinc/82/14/97/362821497.db2.gz VYZZMWDSGKLLNI-VIFPVBQESA-N 0 1 239.344 2.361 20 0 BEADMN COC[C@H](C)NCc1ccc(Br)o1 ZINC000019904461 347377650 /nfs/dbraw/zinc/37/76/50/347377650.db2.gz CBWZJEBURCODJY-ZETCQYMHSA-N 0 1 248.120 2.167 20 0 BEADMN C[C@@H]1C[C@H](C)N(C(=O)c2ccc3cncn3c2)C1 ZINC000334508577 133663058 /nfs/dbraw/zinc/66/30/58/133663058.db2.gz WZYBKVKZOYAINO-MNOVXSKESA-N 0 1 243.310 2.205 20 0 BEADMN Cc1ccc(C(=O)N(C)Cc2cnc[nH]2)c(C)c1 ZINC000616922320 347452775 /nfs/dbraw/zinc/45/27/75/347452775.db2.gz XWSBRWNQGYIPCB-UHFFFAOYSA-N 0 1 243.310 2.299 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CCc1ccsc1 ZINC000616923004 347454061 /nfs/dbraw/zinc/45/40/61/347454061.db2.gz QIKVJAOGSAWNLX-UHFFFAOYSA-N 0 1 249.339 2.062 20 0 BEADMN CCCC[N@@H+](CC)CCCCC(=O)[O-] ZINC000020474643 347456636 /nfs/dbraw/zinc/45/66/36/347456636.db2.gz MBVCMQPECHQCDA-UHFFFAOYSA-N 0 1 201.310 2.363 20 0 BEADMN CC[C@H](N[C@H](C(=O)OC)C1CC1)C1CCCC1 ZINC000382817332 347436519 /nfs/dbraw/zinc/43/65/19/347436519.db2.gz FXLAUKWCNNSGAR-STQMWFEESA-N 0 1 239.359 2.496 20 0 BEADMN CCCc1cc(C(=O)N(CC)CCC)n[nH]1 ZINC000642069666 362842264 /nfs/dbraw/zinc/84/22/64/362842264.db2.gz BXKTVOQZBBTSBT-UHFFFAOYSA-N 0 1 223.320 2.234 20 0 BEADMN CC[C@H](C)CCC(=O)N(C)Cc1cnc[nH]1 ZINC000616928725 347494755 /nfs/dbraw/zinc/49/47/55/347494755.db2.gz JYDBGNRVZMVLCL-JTQLQIEISA-N 0 1 223.320 2.194 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)CC1(C)CCCC1 ZINC000616928614 347495268 /nfs/dbraw/zinc/49/52/68/347495268.db2.gz GULIJRXSJPPWSR-UHFFFAOYSA-N 0 1 235.331 2.339 20 0 BEADMN CC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1cnc[nH]1 ZINC000616929024 347495801 /nfs/dbraw/zinc/49/58/01/347495801.db2.gz RGCZGFMGAZNRAM-JQWIXIFHSA-N 0 1 235.331 2.194 20 0 BEADMN CC(C)C[C@H](C)C(=O)N(C)Cc1cnc[nH]1 ZINC000616927349 347458676 /nfs/dbraw/zinc/45/86/76/347458676.db2.gz FZHIXJBQYGIMMA-JTQLQIEISA-N 0 1 223.320 2.050 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000616927135 347459497 /nfs/dbraw/zinc/45/94/97/347459497.db2.gz AYLGTGFUHYWBSL-SNVBAGLBSA-N 0 1 235.331 2.194 20 0 BEADMN CCC(CC)CC(=O)N(C)Cc1cnc[nH]1 ZINC000616927011 347459637 /nfs/dbraw/zinc/45/96/37/347459637.db2.gz YGXVIADDGCQNJV-UHFFFAOYSA-N 0 1 223.320 2.194 20 0 BEADMN CC1(C[N@H+]2CCC[C@H]2CC(=O)[O-])CCC1 ZINC000380107139 365882510 /nfs/dbraw/zinc/88/25/10/365882510.db2.gz RAJCUGVRYKFHPF-JTQLQIEISA-N 0 1 211.305 2.116 20 0 BEADMN Cc1ccccc1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000336527854 179248170 /nfs/dbraw/zinc/24/81/70/179248170.db2.gz UIHGXGUBZRPBFQ-QWHCGFSZSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccccc1C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000336527953 179248651 /nfs/dbraw/zinc/24/86/51/179248651.db2.gz UIHGXGUBZRPBFQ-STQMWFEESA-N 0 1 246.354 2.160 20 0 BEADMN Cc1ccccc1C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155216689 179248784 /nfs/dbraw/zinc/24/87/84/179248784.db2.gz JAIYCKYMXGRQSW-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN Cc1nnc(CN2CCC[C@@H]2C2CC2)n1C1CC1 ZINC000590787548 347557021 /nfs/dbraw/zinc/55/70/21/347557021.db2.gz ADXAZLVMBVROEX-CYBMUJFWSA-N 0 1 246.358 2.296 20 0 BEADMN Cc1nc2ccc(CSC[C@H](C)O)cc2[nH]1 ZINC000413016444 323149844 /nfs/dbraw/zinc/14/98/44/323149844.db2.gz LXCKRMRRFCXNOG-QMMMGPOBSA-N 0 1 236.340 2.485 20 0 BEADMN CC[C@@H](C)N(CC)C(=O)CN(CC)C1CC1 ZINC000616978913 347562048 /nfs/dbraw/zinc/56/20/48/347562048.db2.gz JJJVFLDGNNWHDK-LLVKDONJSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@H](C)N(CC)C(=O)CN(CC)C1CC1 ZINC000616978914 347562069 /nfs/dbraw/zinc/56/20/69/347562069.db2.gz JJJVFLDGNNWHDK-NSHDSACASA-N 0 1 226.364 2.118 20 0 BEADMN c1n[nH]cc1CCCSc1nc(C2CC2)n[nH]1 ZINC000358002288 187379490 /nfs/dbraw/zinc/37/94/90/187379490.db2.gz KKPGQOOVRWUEPB-UHFFFAOYSA-N 0 1 249.343 2.130 20 0 BEADMN c1n[nH]cc1CCCSc1n[nH]c(C2CC2)n1 ZINC000358002288 187379492 /nfs/dbraw/zinc/37/94/92/187379492.db2.gz KKPGQOOVRWUEPB-UHFFFAOYSA-N 0 1 249.343 2.130 20 0 BEADMN Cc1n[nH]c(C)c1CNCc1cccnc1C ZINC000590881870 347578206 /nfs/dbraw/zinc/57/82/06/347578206.db2.gz UFALNBOOJSPOTK-UHFFFAOYSA-N 0 1 230.315 2.020 20 0 BEADMN Cc1ccccc1CCCN1CCOCC1 ZINC000084676678 179262403 /nfs/dbraw/zinc/26/24/03/179262403.db2.gz CBSTYXVXHZNXOW-UHFFFAOYSA-N 0 1 219.328 2.260 20 0 BEADMN Cc1ccccc1CCC[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000262624010 179262598 /nfs/dbraw/zinc/26/25/98/179262598.db2.gz FNZWJHYHSXKDJS-LBPRGKRZSA-N 0 1 235.327 2.333 20 0 BEADMN C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1 ZINC000198010708 347604801 /nfs/dbraw/zinc/60/48/01/347604801.db2.gz LSLJIDTUOLVLTO-CYBMUJFWSA-N 0 1 246.354 2.132 20 0 BEADMN CN1CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1 ZINC000198010708 347604803 /nfs/dbraw/zinc/60/48/03/347604803.db2.gz LSLJIDTUOLVLTO-CYBMUJFWSA-N 0 1 246.354 2.132 20 0 BEADMN Cc1ccccc1CN(C(=O)CN(C)C)C1CC1 ZINC000338340705 179267126 /nfs/dbraw/zinc/26/71/26/179267126.db2.gz FCXHYTMIZVOTPY-UHFFFAOYSA-N 0 1 246.354 2.048 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000042163628 179273506 /nfs/dbraw/zinc/27/35/06/179273506.db2.gz QULISQYDYYCCLX-CYBMUJFWSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)n[nH]1 ZINC000591710607 347687470 /nfs/dbraw/zinc/68/74/70/347687470.db2.gz MQENHBSPXHOMPP-SNVBAGLBSA-N 0 1 231.299 2.275 20 0 BEADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)[nH]n1 ZINC000591710607 347687473 /nfs/dbraw/zinc/68/74/73/347687473.db2.gz MQENHBSPXHOMPP-SNVBAGLBSA-N 0 1 231.299 2.275 20 0 BEADMN Cc1ccccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000003747886 179275045 /nfs/dbraw/zinc/27/50/45/179275045.db2.gz MKNJNWGZYOXWSG-LBPRGKRZSA-N 0 1 219.284 2.044 20 0 BEADMN Cc1ccccc1CNC(=O)CN1CCCCC1 ZINC000061804124 179278129 /nfs/dbraw/zinc/27/81/29/179278129.db2.gz QRTRORVEGFKFBY-UHFFFAOYSA-N 0 1 246.354 2.097 20 0 BEADMN CC/C=C\CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419230246 192108466 /nfs/dbraw/zinc/10/84/66/192108466.db2.gz YKJCPONVZOUYEF-UQYHUFHVSA-N 0 1 246.354 2.372 20 0 BEADMN CCN(CCSC)[C@H](C)c1cnccn1 ZINC000592200666 347752302 /nfs/dbraw/zinc/75/23/02/347752302.db2.gz CMAAWYXVXSBFPO-SNVBAGLBSA-N 0 1 225.361 2.223 20 0 BEADMN CCN(CCSC)Cc1cc(OC)ccn1 ZINC000592203998 347755897 /nfs/dbraw/zinc/75/58/97/347755897.db2.gz PBKGYHFUXWDOHT-UHFFFAOYSA-N 0 1 240.372 2.275 20 0 BEADMN Cc1cc(C)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593102204 347858867 /nfs/dbraw/zinc/85/88/67/347858867.db2.gz RDUTUFXDCKZQHC-ZQIUZPCESA-N 0 1 249.379 2.009 20 0 BEADMN O=C(c1ccn[nH]1)N1CCCc2sccc2C1 ZINC000593248755 347874826 /nfs/dbraw/zinc/87/48/26/347874826.db2.gz WWOVZELEDYORKB-UHFFFAOYSA-N 0 1 247.323 2.060 20 0 BEADMN Cc1nnsc1CN1CCCCCC1 ZINC000306599287 323169526 /nfs/dbraw/zinc/16/95/26/323169526.db2.gz RBUWPZIIGSCPLR-UHFFFAOYSA-N 0 1 211.334 2.223 20 0 BEADMN CC[C@@H](CN1CCCC[C@@H]1c1cc[nH]n1)OC ZINC000419268364 192109825 /nfs/dbraw/zinc/10/98/25/192109825.db2.gz MHNUBEOQUDGCTJ-WCQYABFASA-N 0 1 237.347 2.362 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCNC[C@@H]1C ZINC000577371355 365936655 /nfs/dbraw/zinc/93/66/55/365936655.db2.gz ZYTYKLIMMCZGBT-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccccc1[C@@H](C)N(C)C(=O)CN(C)C ZINC000338341989 179318946 /nfs/dbraw/zinc/31/89/46/179318946.db2.gz DWFIKJRAUXNDGN-GFCCVEGCSA-N 0 1 234.343 2.076 20 0 BEADMN C[N@@H+](CC/C=C\c1ccccc1)CC(=O)[O-] ZINC000323471743 347952347 /nfs/dbraw/zinc/95/23/47/347952347.db2.gz XIIFJNYAYHCSMP-UITAMQMPSA-N 0 1 219.284 2.106 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N[C@H](C)C(C)C ZINC000294787265 179324178 /nfs/dbraw/zinc/32/41/78/179324178.db2.gz OEGUQEKXXZXFMI-DGCLKSJQSA-N 0 1 234.343 2.156 20 0 BEADMN CC(C)C[C@@H](C)CN1CCn2cncc2C1 ZINC000368665014 187384259 /nfs/dbraw/zinc/38/42/59/187384259.db2.gz ABEOIYBKJQZBDG-GFCCVEGCSA-N 0 1 221.348 2.381 20 0 BEADMN Cc1cc(CNC(=O)c2sccc2C)n[nH]1 ZINC000603488269 349979936 /nfs/dbraw/zinc/97/99/36/349979936.db2.gz PEVWVADMSSSNLI-UHFFFAOYSA-N 0 1 235.312 2.018 20 0 BEADMN Cc1ccccc1[C@@H]1CN(CCCO)[C@@H](C)CO1 ZINC000266510132 179330735 /nfs/dbraw/zinc/33/07/35/179330735.db2.gz DCKYUQLEGICKAX-ZFWWWQNUSA-N 0 1 249.354 2.139 20 0 BEADMN Cc1ccccc1[C@H]1CN(CCCO)[C@@H](C)CO1 ZINC000266510131 179349320 /nfs/dbraw/zinc/34/93/20/179349320.db2.gz DCKYUQLEGICKAX-DZGCQCFKSA-N 0 1 249.354 2.139 20 0 BEADMN Cc1cccnc1-c1nc([C@H](N)C(C)C)no1 ZINC000051813750 179356054 /nfs/dbraw/zinc/35/60/54/179356054.db2.gz UYZJUIZNLDQUPV-SECBINFHSA-N 0 1 232.287 2.096 20 0 BEADMN CC[C@H](C)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000563726172 323175923 /nfs/dbraw/zinc/17/59/23/323175923.db2.gz YLRUVDOOVFJZOA-NSHDSACASA-N 0 1 215.337 2.465 20 0 BEADMN CCc1nc([C@H](C)S[C@@H](C)C(C)=O)n[nH]1 ZINC000594891978 348125885 /nfs/dbraw/zinc/12/58/85/348125885.db2.gz ZJGOFQCBPZHPGR-YUMQZZPRSA-N 0 1 227.333 2.139 20 0 BEADMN CCc1nc([C@H](C)[S@@](=O)[C@H](C)C(C)C)n[nH]1 ZINC000594666457 348095306 /nfs/dbraw/zinc/09/53/06/348095306.db2.gz QXLDWSQZSQXFLE-GLSBUQGYSA-N 0 1 243.376 2.221 20 0 BEADMN CC1(C)CC[C@H](NCc2csnn2)C1 ZINC000122479519 187387736 /nfs/dbraw/zinc/38/77/36/187387736.db2.gz NBWYNNNYSDPSQE-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CCSC1(CNCc2nc(C)c[nH]2)CC1 ZINC000594991930 348167033 /nfs/dbraw/zinc/16/70/33/348167033.db2.gz NWKUCCWHLUXINK-UHFFFAOYSA-N 0 1 225.361 2.093 20 0 BEADMN CCc1nc([C@H](C)S[C@H]2CCCOC2)n[nH]1 ZINC000594898337 348131119 /nfs/dbraw/zinc/13/11/19/348131119.db2.gz NVXPVDGEFJKACN-IUCAKERBSA-N 0 1 241.360 2.340 20 0 BEADMN Cc1cccnc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000300268604 179373163 /nfs/dbraw/zinc/37/31/63/179373163.db2.gz ANQBATWQARNZHN-AAEUAGOBSA-N 0 1 248.326 2.075 20 0 BEADMN COC(=O)[C@@H]1CCCN1CCCC1CCC1 ZINC000595303397 348221367 /nfs/dbraw/zinc/22/13/67/348221367.db2.gz PKOSDTQNPVQHOZ-LBPRGKRZSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cccnc1CN(C)C[C@H]1CCCO1 ZINC000093159461 179369809 /nfs/dbraw/zinc/36/98/09/179369809.db2.gz OEWKRQPXQOPVTN-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN CC(C)N1CCN([C@@H](C)c2nccs2)CC1 ZINC000203758096 348210647 /nfs/dbraw/zinc/21/06/47/348210647.db2.gz VTHRSBJDKPWCEX-NSHDSACASA-N 0 1 239.388 2.230 20 0 BEADMN Cc1c([C@H](C)NCc2ncccc2C)cnn1C ZINC000352719414 179381528 /nfs/dbraw/zinc/38/15/28/179381528.db2.gz JYZMNKULVZWKIJ-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN C[C@@H]1CCN(CCC2CCC2)CC[S@]1=O ZINC000595458665 348256171 /nfs/dbraw/zinc/25/61/71/348256171.db2.gz JSDQSXSIPJDLNW-IAQYHMDHSA-N 0 1 229.389 2.020 20 0 BEADMN C[C@H]1CN(CCCC2CCC2)CC[S@](=O)C1 ZINC000595459622 348256232 /nfs/dbraw/zinc/25/62/32/348256232.db2.gz QNUNRBDSYDTYIM-LRDDRELGSA-N 0 1 243.416 2.267 20 0 BEADMN Cc1ncsc1CNCc1ncccc1C ZINC000084149417 179382460 /nfs/dbraw/zinc/38/24/60/179382460.db2.gz PDSYHFGDPGCQTH-UHFFFAOYSA-N 0 1 233.340 2.445 20 0 BEADMN COC(=O)CN(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595341518 348233657 /nfs/dbraw/zinc/23/36/57/348233657.db2.gz BYYVWRCRMVNBPE-GRYCIOLGSA-N 0 1 237.343 2.060 20 0 BEADMN CC[C@H](CN[C@@H](COC)c1ccc(C)o1)OC ZINC000419245236 192115027 /nfs/dbraw/zinc/11/50/27/192115027.db2.gz LGGNGMDPHQVPGP-NEPJUHHUSA-N 0 1 241.331 2.290 20 0 BEADMN CC[C@@H]1CN(CCC2CCC2)C[C@@H](C)[S@]1=O ZINC000595493123 348261916 /nfs/dbraw/zinc/26/19/16/348261916.db2.gz PCHRRKFNPUOYKT-AXAPSJFSSA-N 0 1 243.416 2.408 20 0 BEADMN CCN(CCCOC)[C@H](C)C(=O)OC(C)(C)C ZINC000595596045 348293543 /nfs/dbraw/zinc/29/35/43/348293543.db2.gz GWBMHHKEDYWPTH-LLVKDONJSA-N 0 1 245.363 2.075 20 0 BEADMN COc1cc(CN2CC[C@H](SC)C2)sn1 ZINC000595523005 348269933 /nfs/dbraw/zinc/26/99/33/348269933.db2.gz KQISEGRFFFHDFZ-QMMMGPOBSA-N 0 1 244.385 2.089 20 0 BEADMN C[C@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000595564745 348282752 /nfs/dbraw/zinc/28/27/52/348282752.db2.gz CDKAAGVLDQFIHC-JTQLQIEISA-N 0 1 220.316 2.395 20 0 BEADMN CCCN(C[C@@H](CC)OC)[C@@H](C)C(=O)OCC ZINC000419311956 192120608 /nfs/dbraw/zinc/12/06/08/192120608.db2.gz RTFCCYKNBOKVFS-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN CC(C)[C@H](C)N(C)CC(=O)OC(C)(C)C ZINC000312929689 187392997 /nfs/dbraw/zinc/39/29/97/187392997.db2.gz ANTYUWZQEHAWLX-JTQLQIEISA-N 0 1 215.337 2.304 20 0 BEADMN Cc1cccnc1NC(=O)c1c[nH]nc1C1CC1 ZINC000186936668 179393472 /nfs/dbraw/zinc/39/34/72/179393472.db2.gz QOTQGMRMVOSGRD-UHFFFAOYSA-N 0 1 242.282 2.243 20 0 BEADMN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]2C[C@@H]2C1 ZINC000595810531 348349862 /nfs/dbraw/zinc/34/98/62/348349862.db2.gz LUJDRWTVWXDEGX-IJLUTSLNSA-N 0 1 239.359 2.449 20 0 BEADMN COC(=O)c1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000595811119 348350663 /nfs/dbraw/zinc/35/06/63/348350663.db2.gz STNOWGDHEYXYKP-AAEUAGOBSA-N 0 1 245.322 2.315 20 0 BEADMN CC[C@@H](C(=O)OC)N1CCC[C@H](CCF)C1 ZINC000595755755 348330190 /nfs/dbraw/zinc/33/01/90/348330190.db2.gz PRDPTQJZPDDABS-MNOVXSKESA-N 0 1 231.311 2.010 20 0 BEADMN CCOC(=O)[C@H](C)N1CCC[C@H](CCF)C1 ZINC000595756845 348330839 /nfs/dbraw/zinc/33/08/39/348330839.db2.gz XVZXYXYMYTWFQN-WDEREUQCSA-N 0 1 231.311 2.010 20 0 BEADMN Cc1cc(CC(=O)N(C)c2ccc(F)cc2)n[nH]1 ZINC000124021953 187394407 /nfs/dbraw/zinc/39/44/07/187394407.db2.gz FHXJEHADOVEVQE-UHFFFAOYSA-N 0 1 247.273 2.063 20 0 BEADMN CCOC(=O)C12CC(C1)CN2CCC=C(C)C ZINC000595862845 348382511 /nfs/dbraw/zinc/38/25/11/348382511.db2.gz HVILCYOJROKZIM-UHFFFAOYSA-N 0 1 237.343 2.370 20 0 BEADMN CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419330202 192123703 /nfs/dbraw/zinc/12/37/03/192123703.db2.gz BNCGWQIWHAEODB-UTUOFQBUSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)n1ncnc1CN1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419330202 192123704 /nfs/dbraw/zinc/12/37/04/192123704.db2.gz BNCGWQIWHAEODB-UTUOFQBUSA-N 0 1 236.363 2.335 20 0 BEADMN CC(C)c1ncc(CN(CCO)C2CC2)s1 ZINC000128116201 187395474 /nfs/dbraw/zinc/39/54/74/187395474.db2.gz NKACXMXAEREYNM-UHFFFAOYSA-N 0 1 240.372 2.223 20 0 BEADMN COC(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419331684 192123878 /nfs/dbraw/zinc/12/38/78/192123878.db2.gz JOQVWKAMJZUHLL-GHMZBOCLSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)c1oc(CN2CC3CC2(C)C3)cc1C ZINC000595915127 348399723 /nfs/dbraw/zinc/39/97/23/348399723.db2.gz JRUWQFDNFJNVDO-UHFFFAOYSA-N 0 1 249.310 2.359 20 0 BEADMN c1sc(C2CC2)nc1CNC[C@H]1CCCO1 ZINC000113312826 323187026 /nfs/dbraw/zinc/18/70/26/323187026.db2.gz RBHWDRJKTYBCBZ-LLVKDONJSA-N 0 1 238.356 2.289 20 0 BEADMN Cc1nnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)s1 ZINC000419376009 192128927 /nfs/dbraw/zinc/12/89/27/192128927.db2.gz SMPMKDDHKIQRST-YIZRAAEISA-N 0 1 225.361 2.323 20 0 BEADMN Cc1cc(CNC(=O)Nc2cccc(C)c2)n[nH]1 ZINC000603522062 349990591 /nfs/dbraw/zinc/99/05/91/349990591.db2.gz JPEUZEIZFZZXSE-UHFFFAOYSA-N 0 1 244.298 2.348 20 0 BEADMN Cc1ccoc1CNCCOCC(F)(F)F ZINC000126644667 179525142 /nfs/dbraw/zinc/52/51/42/179525142.db2.gz QKSMVYWYUHSWOU-UHFFFAOYSA-N 0 1 237.221 2.257 20 0 BEADMN CCCC1(C(=O)N2C[C@@H](C)N[C@H](C)C2)CCC1 ZINC000336600188 168590186 /nfs/dbraw/zinc/59/01/86/168590186.db2.gz PJWWKCKLQUAMRL-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccoc1CN(C)Cc1n[nH]c(C(C)C)n1 ZINC000292455309 179514879 /nfs/dbraw/zinc/51/48/79/179514879.db2.gz YGRASGRTOXHQPK-UHFFFAOYSA-N 0 1 248.330 2.462 20 0 BEADMN Cc1ccccc1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000062936221 348587952 /nfs/dbraw/zinc/58/79/52/348587952.db2.gz FTPRENGSQUKHNV-AWEZNQCLSA-N 0 1 233.311 2.292 20 0 BEADMN CSC1(C[N@@H+](CC(=O)[O-])CC(C)(C)C)CC1 ZINC000596657195 348600159 /nfs/dbraw/zinc/60/01/59/348600159.db2.gz SCTXRIXZISJGJD-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN Cc1cnc(CN2CCSCC[C@H]2C)cn1 ZINC000336629962 179595378 /nfs/dbraw/zinc/59/53/78/179595378.db2.gz NGCDXFNYJZYWFE-LLVKDONJSA-N 0 1 237.372 2.112 20 0 BEADMN CCCn1nccc1CN1CC[C@H](SC)C1 ZINC000597137442 348661270 /nfs/dbraw/zinc/66/12/70/348661270.db2.gz SAIUGOVHOKWSJS-LBPRGKRZSA-N 0 1 239.388 2.230 20 0 BEADMN CN[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000054053206 348849775 /nfs/dbraw/zinc/84/97/75/348849775.db2.gz QAMRJCMWLIWHIZ-MRVPVSSYSA-N 0 1 233.271 2.026 20 0 BEADMN CC1(C)COC[C@H]1NCc1ccc(Cl)cn1 ZINC000334665121 348913726 /nfs/dbraw/zinc/91/37/26/348913726.db2.gz IBOGTKSRJZCGLR-LLVKDONJSA-N 0 1 240.734 2.250 20 0 BEADMN COc1ccccc1Sc1nccnc1CN ZINC000054378859 1172111767 /nfs/dbraw/zinc/11/17/67/1172111767.db2.gz CNSGKHXEENXBQO-UHFFFAOYSA-N 0 1 247.323 2.095 20 0 BEADMN CCc1ccc(CN[C@H]2CO[C@H](C)C2)o1 ZINC000401986526 349039778 /nfs/dbraw/zinc/03/97/78/349039778.db2.gz DCFBBTJOOUGDNH-NXEZZACHSA-N 0 1 209.289 2.109 20 0 BEADMN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078733084 490223035 /nfs/dbraw/zinc/22/30/35/490223035.db2.gz PFUQDFHVGFBJER-YNEHKIRRSA-N 0 1 240.391 2.268 20 0 BEADMN CCC(F)(F)CNC1CCC(C(=O)OC)CC1 ZINC000599068267 349087198 /nfs/dbraw/zinc/08/71/98/349087198.db2.gz HZKWXGVEPPXQBN-UHFFFAOYSA-N 0 1 249.301 2.353 20 0 BEADMN c1nc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)co1 ZINC000245921708 349091715 /nfs/dbraw/zinc/09/17/15/349091715.db2.gz QYZJDRWIUVCCIY-JHJVBQTASA-N 0 1 248.326 2.112 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078748853 490226275 /nfs/dbraw/zinc/22/62/75/490226275.db2.gz ZRULYYGRXFAVQK-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)n1 ZINC000248718778 349146885 /nfs/dbraw/zinc/14/68/85/349146885.db2.gz FWKAMTLQWUXJHG-IEBDPFPHSA-N 0 1 235.331 2.282 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)n1 ZINC000248718778 349146888 /nfs/dbraw/zinc/14/68/88/349146888.db2.gz FWKAMTLQWUXJHG-IEBDPFPHSA-N 0 1 235.331 2.282 20 0 BEADMN CCn1ncnc1CN1C[C@H](C)CCC[C@H]1C ZINC000248733085 349146994 /nfs/dbraw/zinc/14/69/94/349146994.db2.gz MLRHOPVPCNZYSS-VXGBXAGGSA-N 0 1 236.363 2.309 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC[C@H]2C)n1 ZINC000248779047 349149132 /nfs/dbraw/zinc/14/91/32/349149132.db2.gz UUSLOBOBSCHPAM-ZJUUUORDSA-N 0 1 221.304 2.036 20 0 BEADMN Cc1cc(=O)[n-]c([C@H](C)[N@H+]2CCC[C@H]2C)n1 ZINC000248779047 349149133 /nfs/dbraw/zinc/14/91/33/349149133.db2.gz UUSLOBOBSCHPAM-ZJUUUORDSA-N 0 1 221.304 2.036 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078748857 490227139 /nfs/dbraw/zinc/22/71/39/490227139.db2.gz ZRULYYGRXFAVQK-QJPTWQEYSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1nnc([C@@H](C)NC2(C3CC3)CC2)s1 ZINC000308928883 349125309 /nfs/dbraw/zinc/12/53/09/349125309.db2.gz DVSMTVYTQMHSFQ-SSDOTTSWSA-N 0 1 223.345 2.440 20 0 BEADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccsc2)C1 ZINC000062935380 349127035 /nfs/dbraw/zinc/12/70/35/349127035.db2.gz DJCPYKGGOKEDRO-NSHDSACASA-N 0 1 225.313 2.045 20 0 BEADMN COCC1(NCc2cc(F)c(F)c(F)c2)CC1 ZINC000532213052 323210057 /nfs/dbraw/zinc/21/00/57/323210057.db2.gz WEDANOKOKWUQFD-UHFFFAOYSA-N 0 1 245.244 2.373 20 0 BEADMN CCn1ncnc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000248656163 349144055 /nfs/dbraw/zinc/14/40/55/349144055.db2.gz CXTYLAJKKGYHAA-NWDGAFQWSA-N 0 1 236.363 2.166 20 0 BEADMN COC(=O)C1(N(C[C@H]2C[C@@H]2C)C2CC2)CCC1 ZINC000599438389 349176679 /nfs/dbraw/zinc/17/66/79/349176679.db2.gz XPMOFJYBMHBJIG-WDEREUQCSA-N 0 1 237.343 2.203 20 0 BEADMN COC(=O)C1(N(C[C@@H]2C[C@H]2C)C2CC2)CCC1 ZINC000599438386 349176848 /nfs/dbraw/zinc/17/68/48/349176848.db2.gz XPMOFJYBMHBJIG-MNOVXSKESA-N 0 1 237.343 2.203 20 0 BEADMN C[C@H](C[N@@H+](C)CC(=O)[O-])C1CCCCC1 ZINC000308947265 349179787 /nfs/dbraw/zinc/17/97/87/349179787.db2.gz SSVQBJLJEVXJMP-SNVBAGLBSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cn[nH]c2)cc(C)n1 ZINC000421857745 192390343 /nfs/dbraw/zinc/39/03/43/192390343.db2.gz PQTHYQCGSZXHQZ-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Oc1ccc(F)c(CNCCCF)c1F ZINC000308932983 349166882 /nfs/dbraw/zinc/16/68/82/349166882.db2.gz MYWCKNRJRIIZOB-UHFFFAOYSA-N 0 1 219.206 2.120 20 0 BEADMN Cc1cc(CN[C@@H](C)c2ccnn2C)cc(C)n1 ZINC000421850762 192394449 /nfs/dbraw/zinc/39/44/49/192394449.db2.gz DPFPGROXXUKVIW-LBPRGKRZSA-N 0 1 244.342 2.283 20 0 BEADMN O=[S@](CCN(C1CC1)C1CC1)c1ccccc1 ZINC000599595499 349222558 /nfs/dbraw/zinc/22/25/58/349222558.db2.gz VESXSNJQVVSEDY-QGZVFWFLSA-N 0 1 249.379 2.421 20 0 BEADMN C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)[C@H](C(=O)[O-])C1 ZINC000253096434 349227071 /nfs/dbraw/zinc/22/70/71/349227071.db2.gz LUEVQOMLURYHEO-UTUOFQBUSA-N 0 1 223.316 2.280 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC(C)(C)C[C@H]1C)N(C)C ZINC000078762160 490234003 /nfs/dbraw/zinc/23/40/03/490234003.db2.gz WJOOKWDAWJLSFY-WOPDTQHZSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cn2)[C@H]1C ZINC000252214822 349198986 /nfs/dbraw/zinc/19/89/86/349198986.db2.gz XJCWALCVOPDVMM-QWRGUYRKSA-N 0 1 248.326 2.400 20 0 BEADMN C/C=C\C[C@H]1CCCN(CC(=O)OCC)C1 ZINC000599692808 349246686 /nfs/dbraw/zinc/24/66/86/349246686.db2.gz XXPVXZUJBXCNNI-FHMRSRPSSA-N 0 1 225.332 2.228 20 0 BEADMN Cc1n[nH]c(C)c1NC(=O)c1c(O)cccc1F ZINC000123140443 179829089 /nfs/dbraw/zinc/82/90/89/179829089.db2.gz PNWOVYCZJIFSBU-UHFFFAOYSA-N 0 1 249.245 2.124 20 0 BEADMN CC1(C)C[C@@H](NCc2ccncc2Cl)CO1 ZINC000396622394 349287440 /nfs/dbraw/zinc/28/74/40/349287440.db2.gz XQCVEDOLCIYRDZ-SNVBAGLBSA-N 0 1 240.734 2.392 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)[nH]1 ZINC000271308045 179879120 /nfs/dbraw/zinc/87/91/20/179879120.db2.gz IAAWVZWREBCZPT-SNVBAGLBSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1cnc(CNCC2(CCO)CCCC2)o1 ZINC000638701987 352541152 /nfs/dbraw/zinc/54/11/52/352541152.db2.gz XNTQRUFVRHRZIH-UHFFFAOYSA-N 0 1 238.331 2.015 20 0 BEADMN Cc1cc(CN2CCCCC[C@H]2CCO)no1 ZINC000342028639 538039589 /nfs/dbraw/zinc/03/95/89/538039589.db2.gz ZCIXHHCPGURCDN-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN OCC[C@H]1CCCCCN1Cc1nccs1 ZINC000342058382 538042259 /nfs/dbraw/zinc/04/22/59/538042259.db2.gz JIHMMMMNFGPQPM-LLVKDONJSA-N 0 1 240.372 2.270 20 0 BEADMN CCCCN(CCCC)Cc1cn(C)nn1 ZINC000082951441 349361944 /nfs/dbraw/zinc/36/19/44/349361944.db2.gz QCMLNYSZRPOKDN-UHFFFAOYSA-N 0 1 224.352 2.217 20 0 BEADMN Cc1nc(C)c(CN[C@@H](C)CF)s1 ZINC000308404373 179914352 /nfs/dbraw/zinc/91/43/52/179914352.db2.gz KQQQSFQINXPRDH-LURJTMIESA-N 0 1 202.298 2.208 20 0 BEADMN Cc1cc(CN2CCCCC[C@@H]2CCO)no1 ZINC000342028638 538040778 /nfs/dbraw/zinc/04/07/78/538040778.db2.gz ZCIXHHCPGURCDN-CYBMUJFWSA-N 0 1 238.331 2.110 20 0 BEADMN CCC(CC)N[C@H](C)c1nc(C(=O)OC)co1 ZINC000601930359 349384019 /nfs/dbraw/zinc/38/40/19/349384019.db2.gz HMOKOFZHZILIHX-MRVPVSSYSA-N 0 1 240.303 2.300 20 0 BEADMN CCSC1(CNCc2ccon2)CC1 ZINC000602028850 349420360 /nfs/dbraw/zinc/42/03/60/349420360.db2.gz RAIFVZSTFQULFI-UHFFFAOYSA-N 0 1 212.318 2.050 20 0 BEADMN CCC[N@@H+](CC)CCCCCC(=O)[O-] ZINC000070652395 350039171 /nfs/dbraw/zinc/03/91/71/350039171.db2.gz NQQXWYYZVLDOEF-UHFFFAOYSA-N 0 1 201.310 2.363 20 0 BEADMN C[C@H]1CC[C@H](CNCc2cnc(C3CC3)o2)O1 ZINC000628305418 350102024 /nfs/dbraw/zinc/10/20/24/350102024.db2.gz ANUMICNOIOOVLT-GXSJLCMTSA-N 0 1 236.315 2.209 20 0 BEADMN Cc1nc(N2C[C@@H](C)N(C)[C@@H](C)C2)sc1C ZINC000336575791 180004266 /nfs/dbraw/zinc/00/42/66/180004266.db2.gz KPHNGXJAPIXIDZ-DTORHVGOSA-N 0 1 239.388 2.289 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2ccoc2C)n[nH]1 ZINC000331345494 180033621 /nfs/dbraw/zinc/03/36/21/180033621.db2.gz LQPWLTBIHBFWHE-MRVPVSSYSA-N 0 1 234.303 2.208 20 0 BEADMN Cc1nc([C@@H](C)N2CCc3ccc(F)cc32)n[nH]1 ZINC000336281843 180035320 /nfs/dbraw/zinc/03/53/20/180035320.db2.gz LKPYAZJWXXDPMZ-MRVPVSSYSA-N 0 1 246.289 2.376 20 0 BEADMN C[C@](N)(C(=O)NC[C@H]1CC1(C)C)c1ccccc1 ZINC000219229119 350117810 /nfs/dbraw/zinc/11/78/10/350117810.db2.gz LKKKEKVBEZQHKP-IUODEOHRSA-N 0 1 246.354 2.023 20 0 BEADMN Cc1nc([C@@](C)(NCC(C)C)C2CC2)no1 ZINC000336688983 180047080 /nfs/dbraw/zinc/04/70/80/180047080.db2.gz VGEZODDJKPLHOX-LBPRGKRZSA-N 0 1 223.320 2.249 20 0 BEADMN Cc1nc([C@H](C)N[C@H]2C[C@H](O)C2(C)C)cs1 ZINC000163424278 180051639 /nfs/dbraw/zinc/05/16/39/180051639.db2.gz AAGAPUPIZLUSBC-SWPVVBRQSA-N 0 1 240.372 2.262 20 0 BEADMN Cc1nc([C@H](C)S[C@H]2CCO[C@H]2C)n[nH]1 ZINC000334039632 180052671 /nfs/dbraw/zinc/05/26/71/180052671.db2.gz NYLIBEPRSNOWPY-ZKWXMUAHSA-N 0 1 227.333 2.085 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2C[C@@H](C)[C@H]2C)[nH]1 ZINC000294215252 180061048 /nfs/dbraw/zinc/06/10/48/180061048.db2.gz RDVCEBLBVHOXHC-RKDXNWHRSA-N 0 1 243.310 2.352 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2C[C@H](C)[C@@H]2C)[nH]1 ZINC000294215247 180061926 /nfs/dbraw/zinc/06/19/26/180061926.db2.gz RDVCEBLBVHOXHC-IUCAKERBSA-N 0 1 243.310 2.352 20 0 BEADMN Cc1nc2c(cccc2C(=O)N(C)C(C)C)[nH]1 ZINC000283444876 180062021 /nfs/dbraw/zinc/06/20/21/180062021.db2.gz KGAHPBDNBGDCBS-UHFFFAOYSA-N 0 1 231.299 2.352 20 0 BEADMN Cc1nc2cccc(C(=O)NC[C@H]3C[C@@H]3C)c2[nH]1 ZINC000283509256 180062278 /nfs/dbraw/zinc/06/22/78/180062278.db2.gz PRFUTLYAJUZBKE-WCBMZHEXSA-N 0 1 243.310 2.257 20 0 BEADMN Cc1nc2c(cccc2C(=O)N(C)C2CCC2)[nH]1 ZINC000283875031 180062704 /nfs/dbraw/zinc/06/27/04/180062704.db2.gz HZTZFBIEPLAFAP-UHFFFAOYSA-N 0 1 243.310 2.496 20 0 BEADMN CCCC[N@@H+](C)Cc1cccc(C(=O)OC)n1 ZINC000618524257 350129289 /nfs/dbraw/zinc/12/92/89/350129289.db2.gz UZSSNDNFRHTROL-UHFFFAOYSA-N 0 1 236.315 2.100 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000304160775 350146712 /nfs/dbraw/zinc/14/67/12/350146712.db2.gz BNNFKKKJRCPUJM-UWVGGRQHSA-N 0 1 247.285 2.361 20 0 BEADMN CCOC(=O)CN(CC)C[C@@H]1CCC(F)(F)C1 ZINC000304157694 350141966 /nfs/dbraw/zinc/14/19/66/350141966.db2.gz AHYJSATZLHDHGB-SNVBAGLBSA-N 0 1 249.301 2.307 20 0 BEADMN CC(C)c1nc(CN(C)CC2CCC2)n[nH]1 ZINC000428240855 191047161 /nfs/dbraw/zinc/04/71/61/191047161.db2.gz PZOYBGOLZRPGER-UHFFFAOYSA-N 0 1 222.336 2.160 20 0 BEADMN Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCC1(C)C ZINC000336386191 180110540 /nfs/dbraw/zinc/11/05/40/180110540.db2.gz QPSQZFNMWNAQSG-MNOVXSKESA-N 0 1 234.347 2.200 20 0 BEADMN CC[C@H]1CCC[C@H]1NCc1nc(C)no1 ZINC000133266585 191038959 /nfs/dbraw/zinc/03/89/59/191038959.db2.gz DPCVDHJXOMPDJG-VHSXEESVSA-N 0 1 209.293 2.046 20 0 BEADMN C[C@H](N(C)Cc1nccn1C)C(C)(C)C ZINC000532490955 323269120 /nfs/dbraw/zinc/26/91/20/323269120.db2.gz ZVCIVQMCCPPKHB-JTQLQIEISA-N 0 1 209.337 2.287 20 0 BEADMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@H]3C)c2[nH]1 ZINC000336379221 180099868 /nfs/dbraw/zinc/09/98/68/180099868.db2.gz WSZGIMUOHBKKRZ-LDYMZIIASA-N 0 1 243.310 2.400 20 0 BEADMN O=C(Nc1ccc2cncn2c1)[C@H]1CC12CC2 ZINC001639575525 1172119529 /nfs/dbraw/zinc/11/95/29/1172119529.db2.gz AQEFCXCBXHFYNZ-LLVKDONJSA-N 0 1 227.267 2.073 20 0 BEADMN Cc1ncc(CN(C)C[C@@H]2CCCCO2)s1 ZINC000052100861 180137370 /nfs/dbraw/zinc/13/73/70/180137370.db2.gz YJSUSJKANBEFGN-NSHDSACASA-N 0 1 240.372 2.452 20 0 BEADMN Cc1ncc(CN2CCS[C@H](C)C2)s1 ZINC000171688160 180144075 /nfs/dbraw/zinc/14/40/75/180144075.db2.gz IVBNANXHSNHONH-MRVPVSSYSA-N 0 1 228.386 2.389 20 0 BEADMN Cc1ncc(C(=O)N2CCCCC[C@@H]2C)[nH]1 ZINC000336336444 180124949 /nfs/dbraw/zinc/12/49/49/180124949.db2.gz SSYPUFUDROOQAS-VIFPVBQESA-N 0 1 221.304 2.123 20 0 BEADMN Cc1ncc(CNCc2ccc(F)cc2)cn1 ZINC000339281760 180153281 /nfs/dbraw/zinc/15/32/81/180153281.db2.gz KENJLLXMBIDGDA-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN Cc1ncc([C@H](C)NCc2ccn(C)c2)c(C)n1 ZINC000158500587 180173346 /nfs/dbraw/zinc/17/33/46/180173346.db2.gz ZKWZLLVIDXCOFU-JTQLQIEISA-N 0 1 244.342 2.283 20 0 BEADMN Cc1ccc(C[N@@H+](CCCC(=O)[O-])C2CC2)o1 ZINC000604768892 350185491 /nfs/dbraw/zinc/18/54/91/350185491.db2.gz BZAOUPRYBWCTSV-UHFFFAOYSA-N 0 1 237.299 2.417 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000604773722 350186733 /nfs/dbraw/zinc/18/67/33/350186733.db2.gz AIWVDJHENZNESU-AAEUAGOBSA-N 0 1 249.310 2.003 20 0 BEADMN Cc1cc(N(C)C)nc(NCc2ccccc2)n1 ZINC000000524569 350187472 /nfs/dbraw/zinc/18/74/72/350187472.db2.gz QSQNUZAOYPOYHQ-UHFFFAOYSA-N 0 1 242.326 2.463 20 0 BEADMN Cc1nccc(N2CC[C@H]([C@@H](C)O)C2)c1Cl ZINC000335557873 180194351 /nfs/dbraw/zinc/19/43/51/180194351.db2.gz FEYGSTQQCIPLNT-ZJUUUORDSA-N 0 1 240.734 2.251 20 0 BEADMN Cc1nccc(N[C@H](C)CCO)c1Cl ZINC000307295385 180205287 /nfs/dbraw/zinc/20/52/87/180205287.db2.gz PRXWHDIFMIMDFT-SSDOTTSWSA-N 0 1 214.696 2.226 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000363411256 187441558 /nfs/dbraw/zinc/44/15/58/187441558.db2.gz MSOAQJUSEBGDBC-KWQFWETISA-N 0 1 242.282 2.066 20 0 BEADMN Cc1nccc(N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000270701181 180205913 /nfs/dbraw/zinc/20/59/13/180205913.db2.gz INEYBANNTZGAEN-MRVPVSSYSA-N 0 1 246.318 2.200 20 0 BEADMN CO[C@@H]1CN([C@@H](C)c2cnc(C)cn2)CC[C@H]1C ZINC000428495802 191080488 /nfs/dbraw/zinc/08/04/88/191080488.db2.gz OVHFDQJZPBCNSH-SCDSUCTJSA-N 0 1 249.358 2.203 20 0 BEADMN C[C@H]1c2ccsc2CCN1C(=O)c1ccn[nH]1 ZINC000049623953 350245749 /nfs/dbraw/zinc/24/57/49/350245749.db2.gz ABYVWXXCOYFOOK-QMMMGPOBSA-N 0 1 247.323 2.231 20 0 BEADMN Cc1ncsc1CN1CCSC[C@H]1C ZINC000179665528 180314718 /nfs/dbraw/zinc/31/47/18/180314718.db2.gz NKGWUAVGMKFFLI-MRVPVSSYSA-N 0 1 228.386 2.389 20 0 BEADMN Cc1cnc(NC(=O)[C@@H](N)c2ccccc2)s1 ZINC000019471337 350346343 /nfs/dbraw/zinc/34/63/43/350346343.db2.gz KBGYROMWTPFDIU-JTQLQIEISA-N 0 1 247.323 2.090 20 0 BEADMN Cc1ncsc1CC[N@H+]1CCCO[C@H](C)C1 ZINC000172533506 180309706 /nfs/dbraw/zinc/30/97/06/180309706.db2.gz XGYIYVYSXQWZCT-SNVBAGLBSA-N 0 1 240.372 2.105 20 0 BEADMN CCCn1c(C)nnc1CN1CC[C@H]2CCC[C@H]21 ZINC000426520442 191096191 /nfs/dbraw/zinc/09/61/91/191096191.db2.gz FDFGVMHAVLYSQN-CHWSQXEVSA-N 0 1 248.374 2.371 20 0 BEADMN O=C(N[C@@]12C[C@@H]1CCC2)c1ccc2cncn2c1 ZINC000617215545 350385788 /nfs/dbraw/zinc/38/57/88/350385788.db2.gz FKBSYAIISOFPAF-FZMZJTMJSA-N 0 1 241.294 2.007 20 0 BEADMN CCc1nc(C[N@H+](C)[C@H](C)CC(=O)[O-])cs1 ZINC000328460830 350397696 /nfs/dbraw/zinc/39/76/96/350397696.db2.gz JQOGRBDYEAGTFR-MRVPVSSYSA-N 0 1 242.344 2.001 20 0 BEADMN CCc1nc(C[N@@H+](C)[C@H](C)CC(=O)[O-])cs1 ZINC000328460830 350397697 /nfs/dbraw/zinc/39/76/97/350397697.db2.gz JQOGRBDYEAGTFR-MRVPVSSYSA-N 0 1 242.344 2.001 20 0 BEADMN Cc1ccncc1CNCc1cncn1C(C)C ZINC000162706811 350419260 /nfs/dbraw/zinc/41/92/60/350419260.db2.gz ZDMIGWLAXGFNHR-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1nn(C)cc1CN(C)Cc1ccc(O)cc1 ZINC000290486708 180373996 /nfs/dbraw/zinc/37/39/96/180373996.db2.gz OHVPMEGEZFIOMD-UHFFFAOYSA-N 0 1 245.326 2.066 20 0 BEADMN Cc1nn(C)cc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000291574488 180372919 /nfs/dbraw/zinc/37/29/19/180372919.db2.gz OFQBKKBSKIIVMT-VIFPVBQESA-N 0 1 243.301 2.206 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1ccoc1 ZINC000122701148 180378837 /nfs/dbraw/zinc/37/88/37/180378837.db2.gz VUPDWHXCRRAYGX-SECBINFHSA-N 0 1 219.288 2.172 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NCc1cccc(O)c1 ZINC000020352543 180379248 /nfs/dbraw/zinc/37/92/48/180379248.db2.gz PZNDFBGQBBMUCL-SNVBAGLBSA-N 0 1 245.326 2.285 20 0 BEADMN CC1(C)CC[C@H](CN2CCO[C@@H]3CCC[C@@H]32)O1 ZINC000336725941 350483040 /nfs/dbraw/zinc/48/30/40/350483040.db2.gz RXRSODBGXMJDDN-FRRDWIJNSA-N 0 1 239.359 2.197 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1ccoc1 ZINC000122701356 180382913 /nfs/dbraw/zinc/38/29/13/180382913.db2.gz VUPDWHXCRRAYGX-VIFPVBQESA-N 0 1 219.288 2.172 20 0 BEADMN Cc1nn(C)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000156602010 180374321 /nfs/dbraw/zinc/37/43/21/180374321.db2.gz JLZMORZPSBYVEJ-CQSZACIVSA-N 0 1 244.342 2.394 20 0 BEADMN C[C@@H](NC[C@H](O)C(C)(C)C)c1cscn1 ZINC000127854501 490563412 /nfs/dbraw/zinc/56/34/12/490563412.db2.gz LEQMGCPUTFJMBE-SCZZXKLOSA-N 0 1 228.361 2.201 20 0 BEADMN CC(C)C[N@H+](CCC(=O)[O-])CCC1CC1 ZINC000580336690 350509542 /nfs/dbraw/zinc/50/95/42/350509542.db2.gz XNVNOVNABORKET-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CC[C@@H](NCc1cn[nH]c1C)C(F)(F)F ZINC000336751037 350499172 /nfs/dbraw/zinc/49/91/72/350499172.db2.gz FHKHXGYWVPVADS-MRVPVSSYSA-N 0 1 221.226 2.149 20 0 BEADMN Cc1c([C@@H](C)NCc2cccc(O)c2)cnn1C ZINC000020352547 350501863 /nfs/dbraw/zinc/50/18/63/350501863.db2.gz XLCJCKDJBWXQBU-SNVBAGLBSA-N 0 1 245.326 2.285 20 0 BEADMN Cc1ccc(C(=O)CCN(C)[C@H]2CCOC2)cc1 ZINC000134274675 191108104 /nfs/dbraw/zinc/10/81/04/191108104.db2.gz YWMVGYQXLLFYPX-AWEZNQCLSA-N 0 1 247.338 2.289 20 0 BEADMN CC[C@@H](N[C@H](C)c1ccc(Cl)s1)C(N)=O ZINC000061676979 350524929 /nfs/dbraw/zinc/52/49/29/350524929.db2.gz ULQSFQKQNZXJFN-RNFRBKRXSA-N 0 1 246.763 2.316 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NCc2cc[nH]n2)CS1 ZINC000309397263 323372686 /nfs/dbraw/zinc/37/26/86/323372686.db2.gz VQFJPWHTDPOBLO-WDEREUQCSA-N 0 1 239.388 2.420 20 0 BEADMN CC1CCC(CNCc2csnn2)CC1 ZINC000063144675 350573857 /nfs/dbraw/zinc/57/38/57/350573857.db2.gz PDGQZRZPGHNVCC-UHFFFAOYSA-N 0 1 225.361 2.454 20 0 BEADMN CCOC(=O)[C@@H](C)N1CCC[C@@H](CC)C1 ZINC000064772535 350576425 /nfs/dbraw/zinc/57/64/25/350576425.db2.gz WNPOZAFEIGSLIR-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN Fc1ccc(CCSc2cn[nH]n2)cc1F ZINC000428027659 191109355 /nfs/dbraw/zinc/10/93/55/191109355.db2.gz OIDYZWFQPVXTPB-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN CC[C@H](NCc1cnc[nH]1)c1nccs1 ZINC000070633953 350557083 /nfs/dbraw/zinc/55/70/83/350557083.db2.gz PNKNLAKYDCZACB-VIFPVBQESA-N 0 1 222.317 2.107 20 0 BEADMN CC1(C)CNC(=O)CN1CCCC1CCCC1 ZINC000337391357 350579735 /nfs/dbraw/zinc/57/97/35/350579735.db2.gz HNZCXWIVGDMHAQ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CCN(C(C)C)CC1 ZINC000337501636 350591547 /nfs/dbraw/zinc/59/15/47/350591547.db2.gz KVVHTQCAGINTFP-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)[nH]1 ZINC000355790832 350600168 /nfs/dbraw/zinc/60/01/68/350600168.db2.gz YJRKLOITWQDQRU-VWYCJHECSA-N 0 1 236.363 2.234 20 0 BEADMN CC=CC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001639732038 1172132905 /nfs/dbraw/zinc/13/29/05/1172132905.db2.gz CVBWDPSVHKLTTF-IHWYPQMZSA-N 0 1 246.245 2.125 20 0 BEADMN COc1ccncc1CN1C[C@H]2CCC[C@H]21 ZINC000335643452 538097882 /nfs/dbraw/zinc/09/78/82/538097882.db2.gz NGAHDTRKHMFQKM-ZYHUDNBSSA-N 0 1 218.300 2.075 20 0 BEADMN C[C@@H]1CSCCN1Cc1cnc2ccccn12 ZINC000177327392 365994117 /nfs/dbraw/zinc/99/41/17/365994117.db2.gz HYBCZGWRDGLVJE-LLVKDONJSA-N 0 1 247.367 2.272 20 0 BEADMN CCc1csc(N2C[C@@H](C)N(C)[C@H](C)C2)n1 ZINC000338782447 350711926 /nfs/dbraw/zinc/71/19/26/350711926.db2.gz CXBNPWBGPMTFIV-NXEZZACHSA-N 0 1 239.388 2.234 20 0 BEADMN CCCCO[C@H](C)c1nc(C2(N)CCC2)no1 ZINC000339391758 350752603 /nfs/dbraw/zinc/75/26/03/350752603.db2.gz CNQZDVUKXUVEHU-SECBINFHSA-N 0 1 239.319 2.285 20 0 BEADMN C[C@@H]1CC[C@H](C)N1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177481608 366003448 /nfs/dbraw/zinc/00/34/48/366003448.db2.gz SAXBVVDOCKOUDE-DTORHVGOSA-N 0 1 233.315 2.300 20 0 BEADMN CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)C(=O)[O-] ZINC000236911277 350743573 /nfs/dbraw/zinc/74/35/73/350743573.db2.gz JSDSJGZCOUBFBV-MRVPVSSYSA-N 0 1 243.253 2.260 20 0 BEADMN Cc1nocc1CNCc1ccccc1 ZINC000293988923 180508277 /nfs/dbraw/zinc/50/82/77/180508277.db2.gz FJOVWIVDACCQIG-UHFFFAOYSA-N 0 1 202.257 2.273 20 0 BEADMN Cc1ncc(CNC[C@@H]2Cc3ccccc3O2)o1 ZINC000397991882 362981784 /nfs/dbraw/zinc/98/17/84/362981784.db2.gz PVVDOMIMMDEDHY-LBPRGKRZSA-N 0 1 244.294 2.076 20 0 BEADMN Cc1c[nH]c(CN2CC(C)(C)C[C@H]2C)n1 ZINC000628311860 350812210 /nfs/dbraw/zinc/81/22/10/350812210.db2.gz DIYATDZNYRIGDF-SNVBAGLBSA-N 0 1 207.321 2.339 20 0 BEADMN Cc1ncc(CN2CC[C@@H](OC(C)C)C2)s1 ZINC000577606821 366014913 /nfs/dbraw/zinc/01/49/13/366014913.db2.gz NPVRFVPQFGXSLA-LLVKDONJSA-N 0 1 240.372 2.451 20 0 BEADMN COCCN(Cc1ccc(C)o1)C1CC1 ZINC000051966055 350872749 /nfs/dbraw/zinc/87/27/49/350872749.db2.gz VTNXMBPUCWQYIM-UHFFFAOYSA-N 0 1 209.289 2.199 20 0 BEADMN C/C=C\CNCc1nccn1CC(F)(F)F ZINC000623739230 350885080 /nfs/dbraw/zinc/88/50/80/350885080.db2.gz NPVOZEKGHPCCJT-IHWYPQMZSA-N 0 1 233.237 2.111 20 0 BEADMN CSCCCCNCc1ncc(C)o1 ZINC000231639861 350986779 /nfs/dbraw/zinc/98/67/79/350986779.db2.gz FPVXWAXXWAVRBC-UHFFFAOYSA-N 0 1 214.334 2.216 20 0 BEADMN CCc1nc(C)c(CN[C@@H](C)[C@@H](C)OC)o1 ZINC000291818049 350989286 /nfs/dbraw/zinc/98/92/86/350989286.db2.gz DIGRHTIMGPAGRI-WCBMZHEXSA-N 0 1 226.320 2.058 20 0 BEADMN CCc1noc(CN(C)[C@@H](C)C(C)C)n1 ZINC000642253171 362996363 /nfs/dbraw/zinc/99/63/63/362996363.db2.gz KWLBMSWTIMWUPR-VIFPVBQESA-N 0 1 211.309 2.108 20 0 BEADMN CC[N@@H+](CCCOC)CCC(F)(F)F ZINC000623121278 351053223 /nfs/dbraw/zinc/05/32/23/351053223.db2.gz TYBGVJQAZRDUQW-UHFFFAOYSA-N 0 1 213.243 2.297 20 0 BEADMN C[C@H]1C[C@H]([NH2+]Cc2cnn[n-]2)CC(C)(C)C1 ZINC000398405296 351137440 /nfs/dbraw/zinc/13/74/40/351137440.db2.gz OSTIKRSZPIKDPV-UWVGGRQHSA-N 0 1 222.336 2.109 20 0 BEADMN Cc1ncc(CN2CCC[C@@H](OC(C)C)C2)o1 ZINC000628323569 351234316 /nfs/dbraw/zinc/23/43/16/351234316.db2.gz AWNYOFCLLKKRMH-GFCCVEGCSA-N 0 1 238.331 2.372 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083404149 351236866 /nfs/dbraw/zinc/23/68/66/351236866.db2.gz LAEPVNSGTJAOEF-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1c[nH]c(CN2CC3(C[C@@H]2C)CCOCC3)n1 ZINC000628322809 351211742 /nfs/dbraw/zinc/21/17/42/351211742.db2.gz MDYNIZHGRDWHGR-LBPRGKRZSA-N 0 1 249.358 2.109 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1CN1CCn2nncc2C1 ZINC000628326912 351262512 /nfs/dbraw/zinc/26/25/12/351262512.db2.gz AKFFKIUPVMGPAQ-CHWSQXEVSA-N 0 1 248.374 2.310 20 0 BEADMN CC[C@H](COCC1CC1)NCc1cnc(C)o1 ZINC000628337755 351280964 /nfs/dbraw/zinc/28/09/64/351280964.db2.gz QDEJSPZCORPFOO-GFCCVEGCSA-N 0 1 238.331 2.278 20 0 BEADMN c1nc(C2CC2)oc1CN1CC[C@H]2C[C@H]2C1 ZINC000628349678 351308574 /nfs/dbraw/zinc/30/85/74/351308574.db2.gz NSZRRFARRZSMJL-QWRGUYRKSA-N 0 1 218.300 2.394 20 0 BEADMN CC(C)C[C@H](C)CN[C@H](C)c1ncn(C)n1 ZINC000309353271 187482535 /nfs/dbraw/zinc/48/25/35/187482535.db2.gz NIIMPYNMZJTLHZ-WDEREUQCSA-N 0 1 224.352 2.148 20 0 BEADMN Cc1cc(CNCc2ccns2)ccn1 ZINC000404439961 351450004 /nfs/dbraw/zinc/45/00/04/351450004.db2.gz GIXARYFGZRDUOW-UHFFFAOYSA-N 0 1 219.313 2.136 20 0 BEADMN CN(C)c1ccccc1CNCc1ccns1 ZINC000623597385 363032577 /nfs/dbraw/zinc/03/25/77/363032577.db2.gz JXIKHNLJIZZJCL-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN O=C(Nc1cnoc1)c1c(F)cc(F)cc1F ZINC000607486217 351544665 /nfs/dbraw/zinc/54/46/65/351544665.db2.gz IJEQKFSLSJSKGF-UHFFFAOYSA-N 0 1 242.156 2.344 20 0 BEADMN O=c1ccc(CN2CCc3ccccc3C2)c[nH]1 ZINC000637810892 351652332 /nfs/dbraw/zinc/65/23/32/351652332.db2.gz LJDOFWMSHSMKOJ-UHFFFAOYSA-N 0 1 240.306 2.346 20 0 BEADMN CCN(Cc1ccc(F)cn1)C[C@H]1CCCO1 ZINC000276388504 351619436 /nfs/dbraw/zinc/61/94/36/351619436.db2.gz RSBCXWCLBGWBMF-CYBMUJFWSA-N 0 1 238.306 2.222 20 0 BEADMN C[C@@H]1CN(Cc2cn3ccsc3n2)C[C@H]1C ZINC000072872011 351684398 /nfs/dbraw/zinc/68/43/98/351684398.db2.gz WGQQNMGDYNKMAZ-NXEZZACHSA-N 0 1 235.356 2.484 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000577747961 366052098 /nfs/dbraw/zinc/05/20/98/366052098.db2.gz FXMQUTLTLUZLFF-MGPQQGTHSA-N 0 1 245.322 2.339 20 0 BEADMN COC(=O)[C@H](c1ccccc1)N1C[C@@H](C)[C@H](C)C1 ZINC000072873056 351689242 /nfs/dbraw/zinc/68/92/42/351689242.db2.gz ZKCOGNXLXPGXIK-BZPMIXESSA-N 0 1 247.338 2.489 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000637842240 351698863 /nfs/dbraw/zinc/69/88/63/351698863.db2.gz SBAFYHNJSQQLFD-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CCCC[C@H]1CC(=O)N1CCN[C@@H](C)C1 ZINC000577727584 366045354 /nfs/dbraw/zinc/04/53/54/366045354.db2.gz SEMUMFZKWUKFHS-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)[N@@H+](CCO)Cc1ccc(C(F)F)nc1 ZINC000637856818 351717014 /nfs/dbraw/zinc/71/70/14/351717014.db2.gz BUHCICAGORQWSZ-UHFFFAOYSA-N 0 1 244.285 2.222 20 0 BEADMN Cc1cc(CN)oc1C(=O)NC1CCCCC1 ZINC000637866714 351727240 /nfs/dbraw/zinc/72/72/40/351727240.db2.gz CARNPBCKNHLCQS-UHFFFAOYSA-N 0 1 236.315 2.109 20 0 BEADMN Cc1cc(CN)oc1C(=O)N1CCCC[C@@H]1C ZINC000637875573 351744368 /nfs/dbraw/zinc/74/43/68/351744368.db2.gz OZJOXKDCVCOZGX-JTQLQIEISA-N 0 1 236.315 2.061 20 0 BEADMN COC1CCN(Cc2cc(C)ns2)CC1 ZINC000637880184 351746442 /nfs/dbraw/zinc/74/64/42/351746442.db2.gz DIKSKIZRCCVJJZ-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN O=C(NC[C@H]1CCCCC1(F)F)C(F)(F)F ZINC000307242810 351748002 /nfs/dbraw/zinc/74/80/02/351748002.db2.gz SGRDMNDMTBVTFE-ZCFIWIBFSA-N 0 1 245.191 2.490 20 0 BEADMN Cc1ccc(CN(C)Cc2ccc(=O)[nH]c2)o1 ZINC000637853879 351711930 /nfs/dbraw/zinc/71/19/30/351711930.db2.gz SHKOOHXXXRFMGD-UHFFFAOYSA-N 0 1 232.283 2.321 20 0 BEADMN Cc1cc(CCC(=O)NC(C)(C)C(C)C)n[nH]1 ZINC001639950981 1172144685 /nfs/dbraw/zinc/14/46/85/1172144685.db2.gz GCCWMHKVVAEKRT-UHFFFAOYSA-N 0 1 237.347 2.202 20 0 BEADMN CCN(C)Cc1c(OC)cccc1OC ZINC000637890668 351761977 /nfs/dbraw/zinc/76/19/77/351761977.db2.gz SDWSMLQYBULTSV-UHFFFAOYSA-N 0 1 209.289 2.156 20 0 BEADMN COc1ncc(CN(C)CC(C)C)s1 ZINC000637892944 351762314 /nfs/dbraw/zinc/76/23/14/351762314.db2.gz DWBZEFXERRGJSA-UHFFFAOYSA-N 0 1 214.334 2.240 20 0 BEADMN CC(C)C[N@@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000637894117 351765493 /nfs/dbraw/zinc/76/54/93/351765493.db2.gz OPHOVZDPMCHDLC-LBPRGKRZSA-N 0 1 221.348 2.459 20 0 BEADMN CC(C)(C)n1ncnc1CN[C@H]1CCC12CCC2 ZINC000337565054 187499348 /nfs/dbraw/zinc/49/93/48/187499348.db2.gz XRWQNEYHOFEIEY-NSHDSACASA-N 0 1 248.374 2.455 20 0 BEADMN c1cc(CN2CCC(n3ccnc3)CC2)sn1 ZINC000637983565 351858270 /nfs/dbraw/zinc/85/82/70/351858270.db2.gz PVKSGUJDYAJTFI-UHFFFAOYSA-N 0 1 248.355 2.177 20 0 BEADMN Cc1cc(CN2CCCO[C@H](C)C2)sn1 ZINC000638022395 351902008 /nfs/dbraw/zinc/90/20/08/351902008.db2.gz IMUQMXNEDFFNOF-SNVBAGLBSA-N 0 1 226.345 2.062 20 0 BEADMN C[N@H+](Cc1ccns1)C[C@H]1CCCOC1 ZINC000638035987 351916370 /nfs/dbraw/zinc/91/63/70/351916370.db2.gz KJDWFAKVANNAKI-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN CN(Cc1ccns1)C[C@H]1CCCOC1 ZINC000638035987 351916375 /nfs/dbraw/zinc/91/63/75/351916375.db2.gz KJDWFAKVANNAKI-SNVBAGLBSA-N 0 1 226.345 2.002 20 0 BEADMN CCC[C@H](C[N@H+]1CCOCC12CCCC2)OC ZINC000638148795 352010533 /nfs/dbraw/zinc/01/05/33/352010533.db2.gz ALJPCKSHAORMTI-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN CCC[C@H](CN(C)Cc1cnn(CC)c1)OC ZINC000638083768 351959647 /nfs/dbraw/zinc/95/96/47/351959647.db2.gz LMFBTYJJJUHLEB-CYBMUJFWSA-N 0 1 239.363 2.150 20 0 BEADMN C[C@@H](O)CCN(C)Cc1ccc(C(F)F)nc1 ZINC000638093446 351972440 /nfs/dbraw/zinc/97/24/40/351972440.db2.gz ULCSXBDCCGGNRE-SECBINFHSA-N 0 1 244.285 2.222 20 0 BEADMN C[C@H](O)CCN(C)Cc1ccc(C(F)F)nc1 ZINC000638093448 351973097 /nfs/dbraw/zinc/97/30/97/351973097.db2.gz ULCSXBDCCGGNRE-VIFPVBQESA-N 0 1 244.285 2.222 20 0 BEADMN Cc1scc(CN(C)Cc2nnc[nH]2)c1C ZINC000638097931 351980099 /nfs/dbraw/zinc/98/00/99/351980099.db2.gz XSWHKUYMWRYWBC-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN CC(C)(NC(=O)c1[nH]nc2c1CCCC2)C1CC1 ZINC000607674797 351982393 /nfs/dbraw/zinc/98/23/93/351982393.db2.gz NUNQIGDWWDGWSS-UHFFFAOYSA-N 0 1 247.342 2.207 20 0 BEADMN CC(C)OCCCN(C)Cc1ccns1 ZINC000638101914 351982910 /nfs/dbraw/zinc/98/29/10/351982910.db2.gz QUNAWDCKZJGRQO-UHFFFAOYSA-N 0 1 228.361 2.390 20 0 BEADMN CCN(Cc1[nH]ncc1C)Cc1ccccn1 ZINC000283863379 351985893 /nfs/dbraw/zinc/98/58/93/351985893.db2.gz DWRRDAZTSDMJDT-UHFFFAOYSA-N 0 1 230.315 2.135 20 0 BEADMN COc1ncc(C[N@H+]2C[C@@H](C)C[C@H]2C)s1 ZINC000638109056 351986729 /nfs/dbraw/zinc/98/67/29/351986729.db2.gz BXEWJRLLTUHXNP-DTWKUNHWSA-N 0 1 226.345 2.382 20 0 BEADMN COCCc1ncc(CN2CCCCC2)s1 ZINC000638186007 352051273 /nfs/dbraw/zinc/05/12/73/352051273.db2.gz ILXOVPNBLSCFAL-UHFFFAOYSA-N 0 1 240.372 2.318 20 0 BEADMN CCN1CCN(C(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000285766241 352058783 /nfs/dbraw/zinc/05/87/83/352058783.db2.gz RSQYAFMSCAFXNY-LBPRGKRZSA-N 0 1 247.342 2.245 20 0 BEADMN C[C@H]1CN(Cc2cncs2)C[C@H](C)S1 ZINC000092540431 352137248 /nfs/dbraw/zinc/13/72/48/352137248.db2.gz DZQYNFIPVQFFDG-IUCAKERBSA-N 0 1 228.386 2.469 20 0 BEADMN O=C(c1ccn[nH]1)N1CCC(c2ccco2)CC1 ZINC000617380179 352100623 /nfs/dbraw/zinc/10/06/23/352100623.db2.gz YJFJBFCFOYOWJK-UHFFFAOYSA-N 0 1 245.282 2.023 20 0 BEADMN CCC(CC)(CC)CNCC(F)(F)CN ZINC000391254966 259421642 /nfs/dbraw/zinc/42/16/42/259421642.db2.gz QZNURACYZBOHLL-UHFFFAOYSA-N 0 1 222.323 2.386 20 0 BEADMN CCc1cc(CNC[C@@H](OC)[C@@H](C)CC)on1 ZINC000638274872 352109797 /nfs/dbraw/zinc/10/97/97/352109797.db2.gz PVXQGFYTFYBHIA-GXFFZTMASA-N 0 1 240.347 2.388 20 0 BEADMN CC[N@H+]1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000638280802 352117135 /nfs/dbraw/zinc/11/71/35/352117135.db2.gz KHBIIVGPDSYUSN-GFCCVEGCSA-N 0 1 249.358 2.126 20 0 BEADMN CCN1CC[N@H+](Cc2occc2C)[C@H](C)C1 ZINC000289792137 352198187 /nfs/dbraw/zinc/19/81/87/352198187.db2.gz SCJJKIYEPSYZHY-GFCCVEGCSA-N 0 1 222.332 2.114 20 0 BEADMN CC[C@](C)(O)CNCc1nc2ccccc2o1 ZINC000638328330 352146324 /nfs/dbraw/zinc/14/63/24/352146324.db2.gz HIEHNDFIGWOAAC-ZDUSSCGKSA-N 0 1 234.299 2.078 20 0 BEADMN CN1CCC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000638410109 352217581 /nfs/dbraw/zinc/21/75/81/352217581.db2.gz VJPPMKOSFIJQFH-LLVKDONJSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2cccc(F)c2)n[nH]1 ZINC000411148138 191164028 /nfs/dbraw/zinc/16/40/28/191164028.db2.gz KQVRXHOJGJRPJP-VIFPVBQESA-N 0 1 248.305 2.445 20 0 BEADMN CCN(Cc1cn2ccccc2n1)C[C@@H](C)OC ZINC000291062911 352257777 /nfs/dbraw/zinc/25/77/77/352257777.db2.gz KFGDGBBMZGIOFO-GFCCVEGCSA-N 0 1 247.342 2.191 20 0 BEADMN Cc1nc([C@@H](C)N(C)Cc2cccc(F)c2)n[nH]1 ZINC000411148136 191165290 /nfs/dbraw/zinc/16/52/90/191165290.db2.gz KQVRXHOJGJRPJP-SECBINFHSA-N 0 1 248.305 2.445 20 0 BEADMN CCCC[C@H](C)N(C)C(=O)c1ccn[nH]1 ZINC000291270008 352270408 /nfs/dbraw/zinc/27/04/08/352270408.db2.gz NWPITFNBKADCGY-VIFPVBQESA-N 0 1 209.293 2.060 20 0 BEADMN Cc1nc([C@H](C)N(C)Cc2ccccc2F)n[nH]1 ZINC000411125550 191163413 /nfs/dbraw/zinc/16/34/13/191163413.db2.gz KEJNKFHERQBCED-VIFPVBQESA-N 0 1 248.305 2.445 20 0 BEADMN CC1(C)CN(Cc2cncnc2)[C@H]1C1CC1 ZINC000291682676 352285992 /nfs/dbraw/zinc/28/59/92/352285992.db2.gz XJXSIHPDPOLJPE-LBPRGKRZSA-N 0 1 217.316 2.097 20 0 BEADMN Cc1nnc([C@H](C)N(C)CC2CCCC2)[nH]1 ZINC000411211639 191168546 /nfs/dbraw/zinc/16/85/46/191168546.db2.gz OPKCHIWDTRMESU-VIFPVBQESA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)[C@H]1CNCCN1C(=O)CCC1CCC1 ZINC000638487078 352296441 /nfs/dbraw/zinc/29/64/41/352296441.db2.gz LADXJFZDJAEERB-CYBMUJFWSA-N 0 1 238.375 2.023 20 0 BEADMN CCN(Cc1cccs1)Cc1n[nH]c(C)n1 ZINC000292001989 352297393 /nfs/dbraw/zinc/29/73/93/352297393.db2.gz BWOBZLZECDYGEC-UHFFFAOYSA-N 0 1 236.344 2.197 20 0 BEADMN CN(CCc1cncs1)Cc1ccoc1 ZINC000411182695 191168840 /nfs/dbraw/zinc/16/88/40/191168840.db2.gz BWPAFDFBHSQTIT-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)NCC2CC=CC2)cc1 ZINC000638493915 352307740 /nfs/dbraw/zinc/30/77/40/352307740.db2.gz OVCOJXYFGILKEA-CQSZACIVSA-N 0 1 244.338 2.077 20 0 BEADMN CCN(Cc1n[nH]c(C)n1)c1ccccc1C ZINC000292625594 352326321 /nfs/dbraw/zinc/32/63/21/352326321.db2.gz YFGPSSGAUQKWHC-UHFFFAOYSA-N 0 1 230.315 2.448 20 0 BEADMN Cn1ncnc1CNCCCCC(C)(C)C ZINC000638538771 352369208 /nfs/dbraw/zinc/36/92/08/352369208.db2.gz VVEMUIFYURCCKC-UHFFFAOYSA-N 0 1 224.352 2.121 20 0 BEADMN CC(C)CC[C@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000295022909 352393876 /nfs/dbraw/zinc/39/38/76/352393876.db2.gz CLGGLODKWSWPBK-WCQYABFASA-N 0 1 249.358 2.022 20 0 BEADMN CCCC[C@H](CC)N[C@H](C(N)=O)c1ccccn1 ZINC000295122785 352398189 /nfs/dbraw/zinc/39/81/89/352398189.db2.gz NMODJSTVXLBGOW-AAEUAGOBSA-N 0 1 249.358 2.166 20 0 BEADMN C[C@@H]1CN(CCc2cncs2)[C@H](C)[C@H](C)O1 ZINC000411613900 191197061 /nfs/dbraw/zinc/19/70/61/191197061.db2.gz QFOYIDRWZRSAAS-MXWKQRLJSA-N 0 1 240.372 2.183 20 0 BEADMN CO[C@@H]1C[N@@H+](CCc2cncs2)CC[C@@H]1C ZINC000411601375 191198211 /nfs/dbraw/zinc/19/82/11/191198211.db2.gz AEPQNSFDKZXEHS-CMPLNLGQSA-N 0 1 240.372 2.042 20 0 BEADMN CCN(CCC1CC1)[C@H](C)c1nnc(C)[nH]1 ZINC000411523389 191193368 /nfs/dbraw/zinc/19/33/68/191193368.db2.gz FITTUIFPXIKGSE-SECBINFHSA-N 0 1 222.336 2.296 20 0 BEADMN CC(C)=C[C@@H]1[C@H](C(=O)NCc2cnc[nH]2)C1(C)C ZINC000607948774 352454493 /nfs/dbraw/zinc/45/44/93/352454493.db2.gz SFEPOBZCACEQSG-VXGBXAGGSA-N 0 1 247.342 2.264 20 0 BEADMN CC(C)[C@](C)(O)CNCc1nc2ccccc2o1 ZINC000638625322 352463553 /nfs/dbraw/zinc/46/35/53/352463553.db2.gz DIJXBVUKIBFUMV-CQSZACIVSA-N 0 1 248.326 2.324 20 0 BEADMN CC[C@H](CCO)NCc1nc2ccccc2o1 ZINC000638667445 352509874 /nfs/dbraw/zinc/50/98/74/352509874.db2.gz WKIJHGLMBUGEOD-SNVBAGLBSA-N 0 1 234.299 2.078 20 0 BEADMN CC[C@@H](COC)NCc1nc2ccccc2o1 ZINC000638669542 352511761 /nfs/dbraw/zinc/51/17/61/352511761.db2.gz DRZUWLUTOXQUNI-JTQLQIEISA-N 0 1 234.299 2.342 20 0 BEADMN C/C=C/CNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000638690015 352525919 /nfs/dbraw/zinc/52/59/19/352525919.db2.gz NSSYFVLQPHFPDN-VUDBWIFFSA-N 0 1 238.718 2.032 20 0 BEADMN Cc1csc([C@H](C)NC[C@H]2CCCO2)n1 ZINC000045206276 352587962 /nfs/dbraw/zinc/58/79/62/352587962.db2.gz ONWUIJCZKVCBEV-VHSXEESVSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1csc([C@@H](C)NC[C@H]2CCCO2)n1 ZINC000045206275 352588428 /nfs/dbraw/zinc/58/84/28/352588428.db2.gz ONWUIJCZKVCBEV-NXEZZACHSA-N 0 1 226.345 2.281 20 0 BEADMN Cc1occc1-c1nc(C2(N)CCCC2)no1 ZINC000041153120 352607595 /nfs/dbraw/zinc/60/75/95/352607595.db2.gz PTIYKYQWCYQOCJ-UHFFFAOYSA-N 0 1 233.271 2.366 20 0 BEADMN CC[C@@H]1CCCN1Cc1occc1C(=O)OC ZINC000340682473 352613419 /nfs/dbraw/zinc/61/34/19/352613419.db2.gz OOBSPKSRNMDXIE-SNVBAGLBSA-N 0 1 237.299 2.441 20 0 BEADMN CC[C@@](C)(CN[C@H](COC)c1ccco1)OC ZINC000638721664 352573006 /nfs/dbraw/zinc/57/30/06/352573006.db2.gz LQDVGQVEKNPZLM-YPMHNXCESA-N 0 1 241.331 2.372 20 0 BEADMN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)C(N)=O ZINC000037261335 358472151 /nfs/dbraw/zinc/47/21/51/358472151.db2.gz VDAPCEUKGQTMHX-VHSXEESVSA-N 0 1 246.310 2.266 20 0 BEADMN CN(CC(C)(C)C)C(=O)[C@H](N)c1ccccc1 ZINC000045087915 352663572 /nfs/dbraw/zinc/66/35/72/352663572.db2.gz LZNVQMYWGICRES-GFCCVEGCSA-N 0 1 234.343 2.191 20 0 BEADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1C ZINC000042707320 352624201 /nfs/dbraw/zinc/62/42/01/352624201.db2.gz JVWIBDLTMMCTGI-LBPRGKRZSA-N 0 1 235.327 2.456 20 0 BEADMN CO[C@](C)([C@H](C)NCc1ncc(C)cn1)C1CC1 ZINC000411969576 191235525 /nfs/dbraw/zinc/23/55/25/191235525.db2.gz LWBOVJTXYJKRAV-SMDDNHRTSA-N 0 1 249.358 2.078 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)CS1 ZINC000638761527 352698626 /nfs/dbraw/zinc/69/86/26/352698626.db2.gz DKAPGDRYKDTCAH-VXNVDRBHSA-N 0 1 234.328 2.264 20 0 BEADMN C[C@@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)CS1 ZINC000638761527 352698629 /nfs/dbraw/zinc/69/86/29/352698629.db2.gz DKAPGDRYKDTCAH-VXNVDRBHSA-N 0 1 234.328 2.264 20 0 BEADMN CCc1cccnc1[C@H](C)N[C@H]1C=C[C@H](CO)C1 ZINC000341247539 352698695 /nfs/dbraw/zinc/69/86/95/352698695.db2.gz QTGXVWPNKYSUFT-OBJOEFQTSA-N 0 1 246.354 2.232 20 0 BEADMN COC1([C@@H](C)NCc2ncc(C)s2)CCC1 ZINC000412020082 191236555 /nfs/dbraw/zinc/23/65/55/191236555.db2.gz HFHCZIOUUAOGRC-SNVBAGLBSA-N 0 1 240.372 2.499 20 0 BEADMN CC[C@H](C)[C@H](CNc1ccc2nn[nH]c2c1)OC ZINC000638762725 352700255 /nfs/dbraw/zinc/70/02/55/352700255.db2.gz YUUXQKXKEOTFAQ-ZANVPECISA-N 0 1 248.330 2.431 20 0 BEADMN CC[C@H](C)[C@H](CNc1ccc2n[nH]nc2c1)OC ZINC000638762725 352700258 /nfs/dbraw/zinc/70/02/58/352700258.db2.gz YUUXQKXKEOTFAQ-ZANVPECISA-N 0 1 248.330 2.431 20 0 BEADMN CSC[C@@H](C)NC(=O)c1ccc(F)cc1O ZINC000123864939 187808430 /nfs/dbraw/zinc/80/84/30/187808430.db2.gz ZTOKVIAKUMTOSZ-SSDOTTSWSA-N 0 1 243.303 2.013 20 0 BEADMN COC1([C@H](C)NCc2nc(C)cs2)CCC1 ZINC000412020573 191238703 /nfs/dbraw/zinc/23/87/03/191238703.db2.gz JEOZEOLYVODBJF-JTQLQIEISA-N 0 1 240.372 2.499 20 0 BEADMN COC1([C@@H](C)NCc2csc(C)n2)CCC1 ZINC000412023220 191238828 /nfs/dbraw/zinc/23/88/28/191238828.db2.gz WRXIKOULXTUXKY-SECBINFHSA-N 0 1 240.372 2.499 20 0 BEADMN C[C@H](NCc1ncccc1F)[C@@H]1CC1(F)F ZINC000638777013 352723761 /nfs/dbraw/zinc/72/37/61/352723761.db2.gz AZOADAMLQOJLDK-YUMQZZPRSA-N 0 1 230.233 2.354 20 0 BEADMN CC[N@H+]1CCN(C(=O)C2=CCCCC2)[C@H](C)C1 ZINC000341798628 352726026 /nfs/dbraw/zinc/72/60/26/352726026.db2.gz NLTNODNTZMZKJB-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCN1CCN(C(=O)C2=CCCCC2)[C@H](C)C1 ZINC000341798628 352726027 /nfs/dbraw/zinc/72/60/27/352726027.db2.gz NLTNODNTZMZKJB-GFCCVEGCSA-N 0 1 236.359 2.039 20 0 BEADMN CCOC(=O)[C@H](C)N1CC(C)(C)C[C@@H]1C ZINC000412050369 191246367 /nfs/dbraw/zinc/24/63/67/191246367.db2.gz YFEQBUXUYHPKCT-UWVGGRQHSA-N 0 1 213.321 2.058 20 0 BEADMN OC[C@@H](CC1CC1)NCc1nc2ccccc2o1 ZINC000638791603 352753735 /nfs/dbraw/zinc/75/37/35/352753735.db2.gz OKMZMSXXGXYLQA-LLVKDONJSA-N 0 1 246.310 2.078 20 0 BEADMN OC[C@H](CC1CC1)NCc1nc2ccccc2o1 ZINC000638791604 352753780 /nfs/dbraw/zinc/75/37/80/352753780.db2.gz OKMZMSXXGXYLQA-NSHDSACASA-N 0 1 246.310 2.078 20 0 BEADMN c1csc(CN2CC[C@@H](C3CC3)C2)n1 ZINC000334180318 352768237 /nfs/dbraw/zinc/76/82/37/352768237.db2.gz DAHVJGZCWZBDTR-SNVBAGLBSA-N 0 1 208.330 2.375 20 0 BEADMN O=C(C1CC=CC1)N1CCC(c2cnc[nH]2)CC1 ZINC000334216901 352816760 /nfs/dbraw/zinc/81/67/60/352816760.db2.gz GPAKWUXLDLAWDO-UHFFFAOYSA-N 0 1 245.326 2.082 20 0 BEADMN C[C@H](NCC[C@H]1CCCCO1)c1csnn1 ZINC000412044298 191250137 /nfs/dbraw/zinc/25/01/37/191250137.db2.gz QRCMUVIOQAILRD-VHSXEESVSA-N 0 1 241.360 2.148 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)nc1 ZINC000334192812 352784104 /nfs/dbraw/zinc/78/41/04/352784104.db2.gz IYFDDBCSWVNWMV-CQSZACIVSA-N 0 1 246.354 2.269 20 0 BEADMN Cc1ccc(CN2C[C@@H](F)C[C@H]2CO)c(C)c1 ZINC000334195057 352787840 /nfs/dbraw/zinc/78/78/40/352787840.db2.gz KBRVIFJSFLLRFD-KBPBESRZSA-N 0 1 237.318 2.208 20 0 BEADMN C[C@@H](O)[C@@H]1CN(CCC2CCCCC2)CCO1 ZINC000412074862 191252021 /nfs/dbraw/zinc/25/20/21/191252021.db2.gz IFMBCRJXZUXDAB-OCCSQVGLSA-N 0 1 241.375 2.038 20 0 BEADMN C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000334206480 352801814 /nfs/dbraw/zinc/80/18/14/352801814.db2.gz WNWMUKXYQSDJAA-GFCCVEGCSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@@H]1CCCN1Cc1cn(-c2ccccc2)nn1 ZINC000334206480 352801817 /nfs/dbraw/zinc/80/18/17/352801817.db2.gz WNWMUKXYQSDJAA-GFCCVEGCSA-N 0 1 242.326 2.252 20 0 BEADMN C[C@@H]1C[C@@H](C)N(C(=O)c2cccc3c[nH]nc32)C1 ZINC000334237329 352855618 /nfs/dbraw/zinc/85/56/18/352855618.db2.gz RWUCWHPYUDWSPH-NXEZZACHSA-N 0 1 243.310 2.433 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H]1O ZINC000334293388 352930686 /nfs/dbraw/zinc/93/06/86/352930686.db2.gz QBORJAHUKRKUHL-PSASIEDQSA-N 0 1 229.707 2.136 20 0 BEADMN Cc1ccccc1SCc1c[nH]nn1 ZINC000334293451 352930731 /nfs/dbraw/zinc/93/07/31/352930731.db2.gz QHBLBMXTABOTAL-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cc(C(N)=O)cs1 ZINC000342860947 352879532 /nfs/dbraw/zinc/87/95/32/352879532.db2.gz KQWZFTDFHADJOF-LLVKDONJSA-N 0 1 238.356 2.077 20 0 BEADMN C[C@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)ccc1F ZINC000334265969 352901606 /nfs/dbraw/zinc/90/16/06/352901606.db2.gz MCFADNZZFBXDPB-TVQRCGJNSA-N 0 1 240.297 2.005 20 0 BEADMN C[C@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000154265954 538105871 /nfs/dbraw/zinc/10/58/71/538105871.db2.gz IOFYIGBQVPOLBQ-JTQLQIEISA-N 0 1 245.278 2.196 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@H]1C ZINC000334300385 352937673 /nfs/dbraw/zinc/93/76/73/352937673.db2.gz UJCLPDNKNMUUJZ-PSASIEDQSA-N 0 1 235.331 2.322 20 0 BEADMN Clc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000334317339 352948274 /nfs/dbraw/zinc/94/82/74/352948274.db2.gz QFVVKCSHISSEPN-JTQLQIEISA-N 0 1 240.734 2.213 20 0 BEADMN C[C@H](Cn1cccn1)NCc1ccc(Cl)o1 ZINC000037502756 358473698 /nfs/dbraw/zinc/47/36/98/358473698.db2.gz XPCGSEGZJRFWIS-SECBINFHSA-N 0 1 239.706 2.308 20 0 BEADMN Cc1ncc(C[N@H+]2C[C@H](C)C[C@@H]2C)cn1 ZINC000334327020 352963082 /nfs/dbraw/zinc/96/30/82/352963082.db2.gz HDGDHMHACZWBNX-ZJUUUORDSA-N 0 1 205.305 2.015 20 0 BEADMN C[C@@H]1COCC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000334365345 353019208 /nfs/dbraw/zinc/01/92/08/353019208.db2.gz HSKBGXSPXFRIDL-ZWNOBZJWSA-N 0 1 232.327 2.407 20 0 BEADMN Cc1cnc(CNC[C@H]2CC=CCC2)o1 ZINC000231787847 538107513 /nfs/dbraw/zinc/10/75/13/538107513.db2.gz PYZOWYUPZURFQE-NSHDSACASA-N 0 1 206.289 2.429 20 0 BEADMN CC[C@H](NCC(F)F)C1CCOCC1 ZINC000379591726 538107684 /nfs/dbraw/zinc/10/76/84/538107684.db2.gz XTGSIBXCIQLQRS-VIFPVBQESA-N 0 1 207.264 2.046 20 0 BEADMN CCOCCN(C)Cc1ccc(C(F)F)nc1 ZINC000638939994 353125587 /nfs/dbraw/zinc/12/55/87/353125587.db2.gz PGULHYGIJXHDBO-UHFFFAOYSA-N 0 1 244.285 2.488 20 0 BEADMN CC[C@](C)(CN1CCC=C(F)C1)OC ZINC000638940408 353127965 /nfs/dbraw/zinc/12/79/65/353127965.db2.gz QUDKKOWBKOSUFU-LLVKDONJSA-N 0 1 201.285 2.361 20 0 BEADMN CSc1ccc(C[N@@H+](C)C2CC(O)C2)cc1 ZINC000353476647 188061087 /nfs/dbraw/zinc/06/10/87/188061087.db2.gz AEZFXDQFHZGKBG-UHFFFAOYSA-N 0 1 237.368 2.364 20 0 BEADMN COc1ccncc1CN1CC2CCC1CC2 ZINC000376508559 188077629 /nfs/dbraw/zinc/07/76/29/188077629.db2.gz VSSLQHVUXYGRGE-UHFFFAOYSA-N 0 1 232.327 2.465 20 0 BEADMN Cc1n[nH]cc1CN[C@@H](C)c1cncc(F)c1 ZINC000222126592 188080896 /nfs/dbraw/zinc/08/08/96/188080896.db2.gz DQFPGPCBVPENBL-QMMMGPOBSA-N 0 1 234.278 2.103 20 0 BEADMN COC1(CNCc2cc(C)on2)CCCCC1 ZINC000319696379 188082200 /nfs/dbraw/zinc/08/22/00/188082200.db2.gz RLDMNKGOQBTWKH-UHFFFAOYSA-N 0 1 238.331 2.422 20 0 BEADMN CC[C@@H](C(=O)N1C[C@H](C)c2ccccc21)N(C)C ZINC000124820640 188083704 /nfs/dbraw/zinc/08/37/04/188083704.db2.gz QTCHVIXOAYZYSN-AAEUAGOBSA-N 0 1 246.354 2.477 20 0 BEADMN CC(C)=CCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000293902312 188096636 /nfs/dbraw/zinc/09/66/36/188096636.db2.gz HIQQLWOLUCNBKH-GHMZBOCLSA-N 0 1 205.305 2.445 20 0 BEADMN CC(C)[C@@](C)(CO)NCc1c(F)cccc1F ZINC000352885325 188098023 /nfs/dbraw/zinc/09/80/23/188098023.db2.gz STZNETRUOXZXHY-CYBMUJFWSA-N 0 1 243.297 2.461 20 0 BEADMN C[C@H](O)C[C@H](C)NCc1nc2ccccc2o1 ZINC000638981877 353195993 /nfs/dbraw/zinc/19/59/93/353195993.db2.gz XZRQMEMIMPMVRW-UWVGGRQHSA-N 0 1 234.299 2.077 20 0 BEADMN CC(C)[C@H](N)c1noc(Cc2ccccc2F)n1 ZINC000041123818 188119028 /nfs/dbraw/zinc/11/90/28/188119028.db2.gz VGICMUUZXRBUSS-LBPRGKRZSA-N 0 1 249.289 2.455 20 0 BEADMN Cc1cnc(CNCCCCOC(C)C)o1 ZINC000638980403 353187422 /nfs/dbraw/zinc/18/74/22/353187422.db2.gz CZHXTQQHVJUDHH-UHFFFAOYSA-N 0 1 226.320 2.278 20 0 BEADMN COc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000044494495 188123587 /nfs/dbraw/zinc/12/35/87/188123587.db2.gz BFMSHCSPFIGFGW-NSHDSACASA-N 0 1 245.326 2.280 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CCC2 ZINC000070499489 188130372 /nfs/dbraw/zinc/13/03/72/188130372.db2.gz TYAPBCIPCPAVTH-UHFFFAOYSA-N 0 1 247.338 2.470 20 0 BEADMN CO[C@@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000182229151 188168705 /nfs/dbraw/zinc/16/87/05/188168705.db2.gz KTALNCBRXQUMMW-VIFPVBQESA-N 0 1 230.739 2.145 20 0 BEADMN CC(C)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)[O-])C1 ZINC000236665439 188148932 /nfs/dbraw/zinc/14/89/32/188148932.db2.gz SPHBLYNJNBTYFV-WDEREUQCSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)[C@H](C)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000264658684 188194139 /nfs/dbraw/zinc/19/41/39/188194139.db2.gz UYMUHPYWDOWSOE-VIFPVBQESA-N 0 1 221.304 2.059 20 0 BEADMN CC(=O)N1CCN(Cc2ccccc2C)[C@H](C)C1 ZINC000268673014 188196784 /nfs/dbraw/zinc/19/67/84/188196784.db2.gz KRDWKWZEACRPRD-CYBMUJFWSA-N 0 1 246.354 2.048 20 0 BEADMN CC1(C)C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000269878975 188198294 /nfs/dbraw/zinc/19/82/94/188198294.db2.gz XULQSKNEDABTTD-YFKPBYRVSA-N 0 1 247.220 2.413 20 0 BEADMN Cc1ccncc1C[N@@H+](C)CCCn1ccnc1 ZINC000271674607 188198935 /nfs/dbraw/zinc/19/89/35/188198935.db2.gz IVTRRQJHZSNLSV-UHFFFAOYSA-N 0 1 244.342 2.109 20 0 BEADMN CCc1nc(NC(=O)c2ccoc2C2CC2)n[nH]1 ZINC000337040704 188183963 /nfs/dbraw/zinc/18/39/63/188183963.db2.gz ISJKTKUFXVVQEV-UHFFFAOYSA-N 0 1 246.270 2.090 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccoc2C2CC2)n1 ZINC000337040704 188183964 /nfs/dbraw/zinc/18/39/64/188183964.db2.gz ISJKTKUFXVVQEV-UHFFFAOYSA-N 0 1 246.270 2.090 20 0 BEADMN CC(C)C[C@H](N)c1noc(COCC2CC2)n1 ZINC000339394028 188191673 /nfs/dbraw/zinc/19/16/73/188191673.db2.gz NBUZJYWKHSPIRL-JTQLQIEISA-N 0 1 239.319 2.042 20 0 BEADMN CC/C=C/CCN(C)C(C)(C)C(=O)OC ZINC000342206336 188219074 /nfs/dbraw/zinc/21/90/74/188219074.db2.gz QTRQLINKNYKRQP-BQYQJAHWSA-N 0 1 213.321 2.226 20 0 BEADMN CC(C)(CC(=O)NCc1cnc[nH]1)C(F)(F)F ZINC000331098049 188220205 /nfs/dbraw/zinc/22/02/05/188220205.db2.gz NBGCPXHPRBBIKB-UHFFFAOYSA-N 0 1 249.236 2.005 20 0 BEADMN Cc1ccc2c(c1)CN(Cc1cnc[nH]1)CCO2 ZINC000285551946 188208135 /nfs/dbraw/zinc/20/81/35/188208135.db2.gz MLNMVJLMHSQLHH-UHFFFAOYSA-N 0 1 243.310 2.113 20 0 BEADMN CC1(C)CN(CCO)[C@@H]1c1cccs1 ZINC000287132846 188209157 /nfs/dbraw/zinc/20/91/57/188209157.db2.gz ZYGNNAIBNHSDOP-SNVBAGLBSA-N 0 1 211.330 2.123 20 0 BEADMN CC1=C(C(=O)N2CCN(CC3CC3)CC2)CCC1 ZINC000335720824 535218815 /nfs/dbraw/zinc/21/88/15/535218815.db2.gz XTXBTXGLXYNOKT-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN CC(C)[C@@H]1CCN1C(=O)c1cccc2c[nH]nc21 ZINC000336587667 188231345 /nfs/dbraw/zinc/23/13/45/188231345.db2.gz KPASWILCXGMKFM-LBPRGKRZSA-N 0 1 243.310 2.433 20 0 BEADMN Cc1cnc(CNC[C@H]2CCCCS2)o1 ZINC000639034470 353307012 /nfs/dbraw/zinc/30/70/12/353307012.db2.gz GNCOVIMWOOONII-SNVBAGLBSA-N 0 1 226.345 2.358 20 0 BEADMN OCC1(CNCc2nc3ccccc3o2)CCC1 ZINC000639040057 353320707 /nfs/dbraw/zinc/32/07/07/353320707.db2.gz AGQORUFHXRQHJB-UHFFFAOYSA-N 0 1 246.310 2.080 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000216493232 259444106 /nfs/dbraw/zinc/44/41/06/259444106.db2.gz GJBUFTLWTUKIOA-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1=CC[C@@H](C)CC1 ZINC000334506896 353369546 /nfs/dbraw/zinc/36/95/46/353369546.db2.gz ZCTQRYDENZLJAX-SECBINFHSA-N 0 1 233.315 2.081 20 0 BEADMN Cc1[nH]ncc1CNC(=O)C1=CCC(C)(C)CC1 ZINC000334506855 353369696 /nfs/dbraw/zinc/36/96/96/353369696.db2.gz XPTLBBXQOGWTHZ-UHFFFAOYSA-N 0 1 247.342 2.471 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1ccc2cncn2c1 ZINC000334508579 353383530 /nfs/dbraw/zinc/38/35/30/353383530.db2.gz WZYBKVKZOYAINO-WDEREUQCSA-N 0 1 243.310 2.205 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(F)c1 ZINC000639089241 353447618 /nfs/dbraw/zinc/44/76/18/353447618.db2.gz DTCIEGCOJVIHPV-RISCZKNCSA-N 0 1 237.318 2.337 20 0 BEADMN CN(CC[C@@H]1CCCO1)Cc1ccns1 ZINC000639090556 353451101 /nfs/dbraw/zinc/45/11/01/353451101.db2.gz INPJDRNKCYYRJM-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN Cn1cc(CN2CC(C3CCCCC3)C2)cn1 ZINC000334510135 353434387 /nfs/dbraw/zinc/43/43/87/353434387.db2.gz CELZCHBWLOMAIH-UHFFFAOYSA-N 0 1 233.359 2.432 20 0 BEADMN Cc1ncsc1CN1CC2(C1)CCCOC2 ZINC000334512165 353526521 /nfs/dbraw/zinc/52/65/21/353526521.db2.gz VPUMEAVPZQGESP-UHFFFAOYSA-N 0 1 238.356 2.064 20 0 BEADMN CC1(C)CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC000193512194 353590862 /nfs/dbraw/zinc/59/08/62/353590862.db2.gz BGTMLDOCSRCFTB-GFCCVEGCSA-N 0 1 249.358 2.427 20 0 BEADMN CC[C@@H](C)[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000194172695 353627063 /nfs/dbraw/zinc/62/70/63/353627063.db2.gz KTUJITYCKBRKLA-BDAKNGLRSA-N 0 1 246.314 2.122 20 0 BEADMN C[C@@H](NCCOCC(F)F)c1ccc(F)cn1 ZINC000231688796 353644740 /nfs/dbraw/zinc/64/47/40/353644740.db2.gz DRCGHSWPORBPID-MRVPVSSYSA-N 0 1 248.248 2.153 20 0 BEADMN CCCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000073343000 168720200 /nfs/dbraw/zinc/72/02/00/168720200.db2.gz ZNJCIVPVAPXDTK-LBPRGKRZSA-N 0 1 238.306 2.132 20 0 BEADMN C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ncn(C)n1 ZINC000391943079 259446785 /nfs/dbraw/zinc/44/67/85/259446785.db2.gz SOIPCBYOZZWCML-FIQHERPVSA-N 0 1 236.363 2.290 20 0 BEADMN C[C@H]1C[C@@H](NC2CC(C)(F)C2)c2nccn21 ZINC000334519459 353672020 /nfs/dbraw/zinc/67/20/20/353672020.db2.gz IXTZMPFAYABNRL-GWFPEYJASA-N 0 1 223.295 2.369 20 0 BEADMN c1ncc(CN2CC(C3CCCC3)C2)cn1 ZINC000334518433 353654379 /nfs/dbraw/zinc/65/43/79/353654379.db2.gz RWDBQVVLQNWEIY-UHFFFAOYSA-N 0 1 217.316 2.099 20 0 BEADMN CC/C=C\CCN(C)Cc1ccnn1C ZINC000348379986 535245562 /nfs/dbraw/zinc/24/55/62/535245562.db2.gz VCYFKSQEBKIJNM-WAYWQWQTSA-N 0 1 207.321 2.208 20 0 BEADMN Fc1cccc(Cl)c1[C@H]1CNCCO1 ZINC000011803057 181000425 /nfs/dbraw/zinc/00/04/25/181000425.db2.gz LIZOQKDCEHOOFQ-SECBINFHSA-N 0 1 215.655 2.140 20 0 BEADMN Oc1ccc(CNCC2(F)CC2)cc1F ZINC000308954129 353726383 /nfs/dbraw/zinc/72/63/83/353726383.db2.gz WLPDFWGAANHAEK-UHFFFAOYSA-N 0 1 213.227 2.123 20 0 BEADMN Cc1ccc(F)c(C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000232670454 353752466 /nfs/dbraw/zinc/75/24/66/353752466.db2.gz WTEHSSONSVPYFC-UHFFFAOYSA-N 0 1 239.290 2.429 20 0 BEADMN COc1cncc(CN2[C@H](C)C[C@H]2C)c1C ZINC000639119428 353756656 /nfs/dbraw/zinc/75/66/56/353756656.db2.gz BEWHYGYOUNIAPX-NXEZZACHSA-N 0 1 220.316 2.381 20 0 BEADMN COc1cncc(CN2[C@@H](C)C[C@@H]2C)c1C ZINC000639119430 353756660 /nfs/dbraw/zinc/75/66/60/353756660.db2.gz BEWHYGYOUNIAPX-UWVGGRQHSA-N 0 1 220.316 2.381 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2cc(C)ns2)C1 ZINC000639119667 353757941 /nfs/dbraw/zinc/75/79/41/353757941.db2.gz ZGAYHLBSCVEHCZ-LBPRGKRZSA-N 0 1 240.372 2.452 20 0 BEADMN CC(C)C1CN([C@@H](c2nccn2C)C2CC2)C1 ZINC000639116906 353742269 /nfs/dbraw/zinc/74/22/69/353742269.db2.gz AOLKQZPTVIRJOU-CYBMUJFWSA-N 0 1 233.359 2.459 20 0 BEADMN Cc1nc(CN(C)Cc2ccc(F)cc2C)n[nH]1 ZINC000353822162 353805736 /nfs/dbraw/zinc/80/57/36/353805736.db2.gz LJFNBXPBEJBKBF-UHFFFAOYSA-N 0 1 248.305 2.193 20 0 BEADMN Fc1cnc(Cl)c(CN[C@H]2CCSC2)c1 ZINC000295174940 181017339 /nfs/dbraw/zinc/01/73/39/181017339.db2.gz UVNMXNRUXVKJGP-VIFPVBQESA-N 0 1 246.738 2.469 20 0 BEADMN Fc1cncc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000336626477 181019618 /nfs/dbraw/zinc/01/96/18/181019618.db2.gz OGHVQZDLLUJUFG-WDEREUQCSA-N 0 1 212.243 2.201 20 0 BEADMN CCN(CC(=O)N1CCCCC[C@H]1C)C1CC1 ZINC000343389391 353875875 /nfs/dbraw/zinc/87/58/75/353875875.db2.gz BKRQPKJIRCBAKZ-GFCCVEGCSA-N 0 1 238.375 2.262 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCN(CCC)CC1 ZINC000343391139 353876163 /nfs/dbraw/zinc/87/61/63/353876163.db2.gz DVHAAPSZKXUXCG-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN Cc1cnc(CNCCCc2cccc(C)n2)o1 ZINC000639158001 353878445 /nfs/dbraw/zinc/87/84/45/353878445.db2.gz VNDHQZUGCIHMLD-UHFFFAOYSA-N 0 1 245.326 2.409 20 0 BEADMN OC1(CN[C@@H]2CCCc3scnc32)CCC1 ZINC000623891612 353881944 /nfs/dbraw/zinc/88/19/44/353881944.db2.gz QARLUFSGLNCNRL-SECBINFHSA-N 0 1 238.356 2.025 20 0 BEADMN CO[C@H]1CCN(Cc2ccns2)[C@@H](C)C1 ZINC000639136532 353846436 /nfs/dbraw/zinc/84/64/36/353846436.db2.gz NNONHKNACBPHTF-UWVGGRQHSA-N 0 1 226.345 2.142 20 0 BEADMN CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000334537913 353924963 /nfs/dbraw/zinc/92/49/63/353924963.db2.gz SKWPDZKJCSXUMF-UHFFFAOYSA-N 0 1 225.198 2.459 20 0 BEADMN CN(Cc1ncccn1)C1Cc2ccccc2C1 ZINC000334537825 353925234 /nfs/dbraw/zinc/92/52/34/353925234.db2.gz SOFQOXNYLYALGW-UHFFFAOYSA-N 0 1 239.322 2.076 20 0 BEADMN CCCn1c(C)nnc1CN1C[C@@H](C)C[C@H]1C ZINC000343695574 353965698 /nfs/dbraw/zinc/96/56/98/353965698.db2.gz XSEMFADDKALZEK-WDEREUQCSA-N 0 1 236.363 2.227 20 0 BEADMN C[S@@](=O)c1ccc(CNCc2ccoc2)cc1 ZINC000343698510 353966354 /nfs/dbraw/zinc/96/63/54/353966354.db2.gz WSFZOUQPOFDKLG-QGZVFWFLSA-N 0 1 249.335 2.307 20 0 BEADMN CC(C)(C)[C@@H](O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000343764338 353978105 /nfs/dbraw/zinc/97/81/05/353978105.db2.gz KSCYRZFMOAMWAS-NWDGAFQWSA-N 0 1 243.391 2.140 20 0 BEADMN CC(=O)N1CCC[C@H](CNc2cc(C)ccn2)C1 ZINC000334548838 353987666 /nfs/dbraw/zinc/98/76/66/353987666.db2.gz LWSXZAWGAZQDQR-CYBMUJFWSA-N 0 1 247.342 2.060 20 0 BEADMN c1cnc(CN2CCS[C@@H]3CCCC[C@H]32)cn1 ZINC000334549178 353988249 /nfs/dbraw/zinc/98/82/49/353988249.db2.gz AAAKSHJZKFHVLL-CHWSQXEVSA-N 0 1 249.383 2.337 20 0 BEADMN c1cnc(CN2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000334549186 353988954 /nfs/dbraw/zinc/98/89/54/353988954.db2.gz AAAKSHJZKFHVLL-QWHCGFSZSA-N 0 1 249.383 2.337 20 0 BEADMN C[C@@H]1OCC[C@@]1(C)NCc1nc2ccccc2o1 ZINC000334552035 353992324 /nfs/dbraw/zinc/99/23/24/353992324.db2.gz ISPSBDLYJSXMEV-IINYFYTJSA-N 0 1 246.310 2.485 20 0 BEADMN C[C@H]1OCC[C@]1(C)NCc1nc2ccccc2o1 ZINC000334552037 353992533 /nfs/dbraw/zinc/99/25/33/353992533.db2.gz ISPSBDLYJSXMEV-YGRLFVJLSA-N 0 1 246.310 2.485 20 0 BEADMN CC1(C)CCCN(Cc2cnccn2)C1 ZINC000334552478 353993516 /nfs/dbraw/zinc/99/35/16/353993516.db2.gz CJELWMPZDRSTKJ-UHFFFAOYSA-N 0 1 205.305 2.099 20 0 BEADMN CCCN(CC)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343649080 353953502 /nfs/dbraw/zinc/95/35/02/353953502.db2.gz ORYVAQRNFCBDGL-UHFFFAOYSA-N 0 1 221.304 2.159 20 0 BEADMN CC[C@]1(C)CCN([C@H](C)c2nnc(C)[nH]2)C1 ZINC000334557184 354003001 /nfs/dbraw/zinc/00/30/01/354003001.db2.gz LNNKLUJSKGHLLY-BXKDBHETSA-N 0 1 222.336 2.296 20 0 BEADMN Cn1nccc1CNCc1cc2ccccc2[nH]1 ZINC000343848522 354021616 /nfs/dbraw/zinc/02/16/16/354021616.db2.gz HYTVTSGTSIWOLP-UHFFFAOYSA-N 0 1 240.310 2.191 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000274944912 188558663 /nfs/dbraw/zinc/55/86/63/188558663.db2.gz NVDCILFYVJWFSS-SDDRHHMPSA-N 0 1 247.342 2.195 20 0 BEADMN C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344023344 354084651 /nfs/dbraw/zinc/08/46/51/354084651.db2.gz TTZVKOLXIVUVEM-ZYHUDNBSSA-N 0 1 238.375 2.022 20 0 BEADMN CCC(CC)N(CC)Cc1nnc(C)o1 ZINC000344043135 354109107 /nfs/dbraw/zinc/10/91/07/354109107.db2.gz WREDHZKQTANALH-UHFFFAOYSA-N 0 1 211.309 2.389 20 0 BEADMN C[C@H](O)CN1CC(c2nc3ccccc3s2)C1 ZINC000334560185 354111129 /nfs/dbraw/zinc/11/11/29/354111129.db2.gz SBYKWQCYRDWSTQ-VIFPVBQESA-N 0 1 248.351 2.076 20 0 BEADMN CC[C@H]1CCCN([C@@H](C)c2nnc(C)[nH]2)C1 ZINC000334561996 354116514 /nfs/dbraw/zinc/11/65/14/354116514.db2.gz SLCGQZDXNSLRIZ-ONGXEEELSA-N 0 1 222.336 2.296 20 0 BEADMN CCCCNC(=O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344052699 354124100 /nfs/dbraw/zinc/12/41/00/354124100.db2.gz ILFADGACSDAUQH-LBPRGKRZSA-N 0 1 240.391 2.271 20 0 BEADMN CC(C)(CNCc1cocn1)C1(O)CCCC1 ZINC000449739009 202012893 /nfs/dbraw/zinc/01/28/93/202012893.db2.gz HWKFYHWEHAXWQB-UHFFFAOYSA-N 0 1 238.331 2.096 20 0 BEADMN C[C@@H](N[C@H]1CC12CCCC2)c1ccn(C)n1 ZINC000334582876 354203040 /nfs/dbraw/zinc/20/30/40/354203040.db2.gz YLOUHNWHOXMLRM-PWSUYJOCSA-N 0 1 219.332 2.403 20 0 BEADMN C[C@@H]1CC[C@H](NCC(F)(F)CO)[C@@H](C)C1 ZINC000231792121 363353778 /nfs/dbraw/zinc/35/37/78/363353778.db2.gz GEDMJJSWWHOZBW-UTLUCORTSA-N 0 1 221.291 2.028 20 0 BEADMN CCc1ncc(CN2CCC=C(C)C2)cn1 ZINC000334599251 354234469 /nfs/dbraw/zinc/23/44/69/354234469.db2.gz SMKLAUQKRATPTO-UHFFFAOYSA-N 0 1 217.316 2.191 20 0 BEADMN Cc1ccncc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000334605606 354311646 /nfs/dbraw/zinc/31/16/46/354311646.db2.gz JFXFRULADJTBQV-TXEJJXNPSA-N 0 1 247.342 2.201 20 0 BEADMN CC[C@@H](NCc1ccnn1C)c1ccncc1 ZINC000344524610 354278654 /nfs/dbraw/zinc/27/86/54/354278654.db2.gz BRSSKWCGGLFKIT-CYBMUJFWSA-N 0 1 230.315 2.056 20 0 BEADMN CC[C@@H](NCc1cnc(C)nc1)c1ccncc1 ZINC000344532908 354282308 /nfs/dbraw/zinc/28/23/08/354282308.db2.gz PNYAPTYXAGVJML-CQSZACIVSA-N 0 1 242.326 2.421 20 0 BEADMN C[C@@H]1c2ccccc2CN1CCn1cccn1 ZINC000334608371 354315763 /nfs/dbraw/zinc/31/57/63/354315763.db2.gz NRGAIOWJSZLGDH-GFCCVEGCSA-N 0 1 227.311 2.460 20 0 BEADMN COc1ccc(CNCc2cccn2C)c(F)c1 ZINC000344632745 354331618 /nfs/dbraw/zinc/33/16/18/354331618.db2.gz UEVKJFSNGYZQIT-UHFFFAOYSA-N 0 1 248.301 2.463 20 0 BEADMN Cc1ncc([C@@H](C)N[C@@H](C)CF)c(C)n1 ZINC000639182776 354338613 /nfs/dbraw/zinc/33/86/13/354338613.db2.gz LLSNHNJZDUHVPC-JGVFFNPUSA-N 0 1 211.284 2.102 20 0 BEADMN CO[C@@H]1CCC[C@H]1Sc1nc(C2CC2)n[nH]1 ZINC000344728070 354345793 /nfs/dbraw/zinc/34/57/93/354345793.db2.gz HUCSFQKKNKVSAV-RKDXNWHRSA-N 0 1 239.344 2.342 20 0 BEADMN CO[C@@H]1CCC[C@H]1Sc1n[nH]c(C2CC2)n1 ZINC000344728070 354345796 /nfs/dbraw/zinc/34/57/96/354345796.db2.gz HUCSFQKKNKVSAV-RKDXNWHRSA-N 0 1 239.344 2.342 20 0 BEADMN CC[C@H](NCc1c[nH]cn1)c1c(C)nn(C)c1C ZINC000344754535 354350986 /nfs/dbraw/zinc/35/09/86/354350986.db2.gz BFMHFKFFUGPZFA-LBPRGKRZSA-N 0 1 247.346 2.001 20 0 BEADMN CC1(CN2CC[S@@](=O)C(C)(C)CC2)CCC1 ZINC000334622065 354359875 /nfs/dbraw/zinc/35/98/75/354359875.db2.gz WEWCJXWDFZHICP-MRXNPFEDSA-N 0 1 243.416 2.410 20 0 BEADMN FC[C@@H]1CN(Cc2ccccc2F)CCCO1 ZINC000334646670 354437109 /nfs/dbraw/zinc/43/71/09/354437109.db2.gz MDUAODDISPYMHH-GFCCVEGCSA-N 0 1 241.281 2.386 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC[C@@H](C3CC3)C2)[nH]1 ZINC000334643733 354400832 /nfs/dbraw/zinc/40/08/32/354400832.db2.gz KLYGQEIHZKYMTK-BXKDBHETSA-N 0 1 234.347 2.296 20 0 BEADMN Cc1cc(CN2CC(C)(CO)C2)c(C)s1 ZINC000334645132 354403882 /nfs/dbraw/zinc/40/38/82/354403882.db2.gz HUVLAGUBXYRKDQ-UHFFFAOYSA-N 0 1 225.357 2.179 20 0 BEADMN C[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1F ZINC000334669439 354410046 /nfs/dbraw/zinc/41/00/46/354410046.db2.gz VAHCJEGDVDPBNZ-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN Cc1ncc(C(=O)N2CC3(CCC3)C[C@H]2C)[nH]1 ZINC000334674971 354417754 /nfs/dbraw/zinc/41/77/54/354417754.db2.gz CTSIRVARADIMRJ-SECBINFHSA-N 0 1 233.315 2.123 20 0 BEADMN Cc1cnc(CN2CCSC[C@H]2C2CC2)cn1 ZINC000334679273 354424337 /nfs/dbraw/zinc/42/43/37/354424337.db2.gz NHYMZVCWFLUXFV-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN CC1(CO)CN(c2ccnc3cc(F)ccc32)C1 ZINC000334681924 354428068 /nfs/dbraw/zinc/42/80/68/354428068.db2.gz CJPFTOJBTBNCLG-UHFFFAOYSA-N 0 1 246.285 2.193 20 0 BEADMN c1nnsc1CN1CCC[C@H](C2CC2)C1 ZINC000334654812 354448543 /nfs/dbraw/zinc/44/85/43/354448543.db2.gz QJLGHLMLVIUJJW-JTQLQIEISA-N 0 1 223.345 2.160 20 0 BEADMN Cn1cncc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000334664942 354465909 /nfs/dbraw/zinc/46/59/09/354465909.db2.gz OKZFKQBGSQCJEU-GFCCVEGCSA-N 0 1 219.332 2.041 20 0 BEADMN C[C@H](O)CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000334689543 354477511 /nfs/dbraw/zinc/47/75/11/354477511.db2.gz MFRRJHXYNAPGGE-JTQLQIEISA-N 0 1 239.746 2.469 20 0 BEADMN C[C@H](O)CCN1CCc2cc(Cl)ccc2C1 ZINC000334689543 354477512 /nfs/dbraw/zinc/47/75/12/354477512.db2.gz MFRRJHXYNAPGGE-JTQLQIEISA-N 0 1 239.746 2.469 20 0 BEADMN CCn1ncnc1CN1[C@@H](C)CCC1(C)C ZINC000334691827 354480475 /nfs/dbraw/zinc/48/04/75/354480475.db2.gz GJRVNWYXFVCMOG-JTQLQIEISA-N 0 1 222.336 2.061 20 0 BEADMN C[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1nnc[nH]1 ZINC000334728170 354528850 /nfs/dbraw/zinc/52/88/50/354528850.db2.gz WZKUPAZWBIUVCS-SECBINFHSA-N 0 1 248.330 2.118 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000334742526 354546131 /nfs/dbraw/zinc/54/61/31/354546131.db2.gz QEAVGBPQMMCFSM-IUCAKERBSA-N 0 1 248.330 2.037 20 0 BEADMN F[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000334698762 354490650 /nfs/dbraw/zinc/49/06/50/354490650.db2.gz DKQYIFIXHKJPPA-CYBMUJFWSA-N 0 1 235.302 2.208 20 0 BEADMN Cc1nc(CN2Cc3ccccc3[C@@H]2C)n[nH]1 ZINC000334700003 354491925 /nfs/dbraw/zinc/49/19/25/354491925.db2.gz WBBCNRHYBPIIEI-VIFPVBQESA-N 0 1 228.299 2.190 20 0 BEADMN Cc1nc(CN2Cc3ccccc3[C@H]2C)n[nH]1 ZINC000334700001 354491954 /nfs/dbraw/zinc/49/19/54/354491954.db2.gz WBBCNRHYBPIIEI-SECBINFHSA-N 0 1 228.299 2.190 20 0 BEADMN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC000334713380 354511367 /nfs/dbraw/zinc/51/13/67/354511367.db2.gz MDWUMULFNULOIG-BXUZGUMPSA-N 0 1 247.342 2.063 20 0 BEADMN Cc1ccc(F)c(CN(C)C2CC(O)C2)c1 ZINC000334720121 354519916 /nfs/dbraw/zinc/51/99/16/354519916.db2.gz RVFVJIRCNLLZRQ-UHFFFAOYSA-N 0 1 223.291 2.089 20 0 BEADMN CC(C)(C)C[C@@H]1CCN(C(=O)c2cnc[nH]2)C1 ZINC000335094366 354632477 /nfs/dbraw/zinc/63/24/77/354632477.db2.gz JBGVMLNYGZQDPA-JTQLQIEISA-N 0 1 235.331 2.308 20 0 BEADMN CC[C@](C)(O)CNCc1csc(C2CC2)n1 ZINC000113339266 354654194 /nfs/dbraw/zinc/65/41/94/354654194.db2.gz UQNQYRIBSWHZOF-LBPRGKRZSA-N 0 1 240.372 2.271 20 0 BEADMN CN(C(=O)c1cc2[nH]cnc2cc1F)C1CCC1 ZINC000335089289 354624266 /nfs/dbraw/zinc/62/42/66/354624266.db2.gz HVZQTOCNIVRGJM-UHFFFAOYSA-N 0 1 247.273 2.327 20 0 BEADMN Cc1cncc(C[N@H+]2CCN(C)C[C@H]2C(C)C)c1 ZINC000335110806 354697286 /nfs/dbraw/zinc/69/72/86/354697286.db2.gz CGEOJECGEWSARS-HNNXBMFYSA-N 0 1 247.386 2.162 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCCC[C@@H]1C ZINC000335118998 354723963 /nfs/dbraw/zinc/72/39/63/354723963.db2.gz WXUXWEDFFCJLKZ-JOYOIKCWSA-N 0 1 235.331 2.161 20 0 BEADMN Cc1cnc(CNC[C@]2(O)CCCC2(C)C)o1 ZINC000639206540 354680788 /nfs/dbraw/zinc/68/07/88/354680788.db2.gz AQSFWRIYNRQZJI-CYBMUJFWSA-N 0 1 238.331 2.014 20 0 BEADMN COC[C@@H](Nc1cc2c(cn1)CCC2)C1CC1 ZINC000639212356 354775156 /nfs/dbraw/zinc/77/51/56/354775156.db2.gz YEQHFTJDWUPZKI-CYBMUJFWSA-N 0 1 232.327 2.407 20 0 BEADMN CC(C)n1cc(CN2C[C@@H]3CCCC[C@H]3C2)nn1 ZINC000335134395 354782826 /nfs/dbraw/zinc/78/28/26/354782826.db2.gz ZBCABICDHBSLLD-STQMWFEESA-N 0 1 248.374 2.481 20 0 BEADMN COC[C@@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166010980 354734871 /nfs/dbraw/zinc/73/48/71/354734871.db2.gz GKANQWLRHUOLGH-KCJUWKMLSA-N 0 1 241.718 2.398 20 0 BEADMN CCN1C[C@H](C)N(C(=O)CC(C)(C)C)C[C@H]1C ZINC000345942937 354815885 /nfs/dbraw/zinc/81/58/85/354815885.db2.gz FHRXTMSSORRNHB-NEPJUHHUSA-N 0 1 240.391 2.364 20 0 BEADMN CCN1C[C@H](C)N(C(=O)[C@H](C)C(C)C)C[C@@H]1C ZINC000345948233 354817520 /nfs/dbraw/zinc/81/75/20/354817520.db2.gz HRPCSYWBXQUORD-RWMBFGLXSA-N 0 1 240.391 2.220 20 0 BEADMN CC[C@H](C)[C@H](CN(C(C)C)C1COC1)OC ZINC000639215987 354836500 /nfs/dbraw/zinc/83/65/00/354836500.db2.gz NNMRTVFLEIEGBD-AAEUAGOBSA-N 0 1 229.364 2.157 20 0 BEADMN O[C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)o3)C[C@H]12 ZINC000346313474 354892992 /nfs/dbraw/zinc/89/29/92/354892992.db2.gz INPBVMBCSKOWNR-DVVUODLYSA-N 0 1 241.718 2.136 20 0 BEADMN C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623198087 354910443 /nfs/dbraw/zinc/91/04/43/354910443.db2.gz CCVWITXRPCMTKD-CKYFFXLPSA-N 0 1 247.342 2.087 20 0 BEADMN CC[N@H+]1C[C@H](C)N(Cc2cccnc2C)C[C@H]1C ZINC000335162983 354916052 /nfs/dbraw/zinc/91/60/52/354916052.db2.gz QSIPABYQEHVUEM-OLZOCXBDSA-N 0 1 247.386 2.305 20 0 BEADMN CC[N@H+]1C[C@@H](C)N(Cc2cccnc2C)C[C@H]1C ZINC000335162982 354916178 /nfs/dbraw/zinc/91/61/78/354916178.db2.gz QSIPABYQEHVUEM-CHWSQXEVSA-N 0 1 247.386 2.305 20 0 BEADMN Cc1cc(CN2CC[C@H]2C2CC2)sn1 ZINC000639222956 354923416 /nfs/dbraw/zinc/92/34/16/354923416.db2.gz POUMDGKQZSKSIP-NSHDSACASA-N 0 1 208.330 2.436 20 0 BEADMN Cc1ccc(CN2C[C@@H]3C[C@H]2CS3)o1 ZINC000335167219 354926723 /nfs/dbraw/zinc/92/67/23/354926723.db2.gz BOMGVWYPMIPEMW-ONGXEEELSA-N 0 1 209.314 2.278 20 0 BEADMN C[C@H]1C[C@H](C)N(C(=O)c2cccc3n[nH]cc32)C1 ZINC000335167844 354928368 /nfs/dbraw/zinc/92/83/68/354928368.db2.gz JHGBFKBETCWSNC-UWVGGRQHSA-N 0 1 243.310 2.433 20 0 BEADMN C[C@@H]1CC(C)(C)CN1CC(=O)c1cccn1C ZINC000335170756 354934760 /nfs/dbraw/zinc/93/47/60/354934760.db2.gz CJSCNQOARZATEY-LLVKDONJSA-N 0 1 234.343 2.328 20 0 BEADMN OC[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC000639222715 354948718 /nfs/dbraw/zinc/94/87/18/354948718.db2.gz MWAUILDMIWBGIT-MNOVXSKESA-N 0 1 246.310 2.078 20 0 BEADMN Cc1n[nH]cc1CN(C)CCc1ccccc1O ZINC000346363829 354918524 /nfs/dbraw/zinc/91/85/24/354918524.db2.gz DGYXFNRDVBIUFB-UHFFFAOYSA-N 0 1 245.326 2.098 20 0 BEADMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C)[C@H]1C ZINC000346526153 354976828 /nfs/dbraw/zinc/97/68/28/354976828.db2.gz PJCXNJMKYWTOLD-VOAKCMCISA-N 0 1 238.375 2.022 20 0 BEADMN CC[N@@H+]1CCC[C@H](NCc2ccc(C)o2)C1 ZINC000040502099 358492985 /nfs/dbraw/zinc/49/29/85/358492985.db2.gz PCSMPTGVFFLDLL-LBPRGKRZSA-N 0 1 222.332 2.162 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000335200075 355033313 /nfs/dbraw/zinc/03/33/13/355033313.db2.gz FIKVSPCRNCMSKS-CYBMUJFWSA-N 0 1 242.326 2.103 20 0 BEADMN C([C@H]1CCCCO1)N1CCO[C@H](C2CCC2)C1 ZINC000335188795 355020585 /nfs/dbraw/zinc/02/05/85/355020585.db2.gz AAPOXCUOHBQCRZ-KGLIPLIRSA-N 0 1 239.359 2.056 20 0 BEADMN Cc1cnc(CN2CCC[C@@H](CO)[C@@H]2C)s1 ZINC000335181130 355078062 /nfs/dbraw/zinc/07/80/62/355078062.db2.gz RNGIAYVIBNDVAN-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N(C)C1CC(O)C1 ZINC000335183220 355080989 /nfs/dbraw/zinc/08/09/89/355080989.db2.gz DILUSYOQRCHJQS-MFAVDMRSSA-N 0 1 241.281 2.481 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)n[nH]1 ZINC000335211699 355048540 /nfs/dbraw/zinc/04/85/40/355048540.db2.gz BXHLKTWCAWUQQV-VIFPVBQESA-N 0 1 235.331 2.233 20 0 BEADMN Cc1cc(F)ccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000335214375 355052661 /nfs/dbraw/zinc/05/26/61/355052661.db2.gz BWRUYMILAIBOFD-HNNXBMFYSA-N 0 1 249.329 2.481 20 0 BEADMN Cc1ncc(CN[C@@H](C)c2ccsc2)c(=O)[nH]1 ZINC000346805422 355110468 /nfs/dbraw/zinc/11/04/68/355110468.db2.gz IPIPWQQORQFVEY-QMMMGPOBSA-N 0 1 249.339 2.403 20 0 BEADMN CCN1C[C@H](C)N(C(=O)C(C)(C)CC)C[C@@H]1C ZINC000346780819 355115081 /nfs/dbraw/zinc/11/50/81/355115081.db2.gz WJJPYLOAJHCQDV-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCC1(CC)CN(CC[C@@H](C)F)CC[S@@]1=O ZINC000351997382 134033151 /nfs/dbraw/zinc/03/31/51/134033151.db2.gz XWDWGSCTSRYGJJ-BZNIZROVSA-N 0 1 249.395 2.358 20 0 BEADMN Cc1nn(C)cc1[C@H](C)NCc1cncc(F)c1 ZINC000346975184 355209968 /nfs/dbraw/zinc/20/99/68/355209968.db2.gz VJURCCZKDHVITP-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN c1cc(CN2CCSC[C@@H]2C2CC2)sn1 ZINC000639231721 355212843 /nfs/dbraw/zinc/21/28/43/355212843.db2.gz QLIITAJTNAFHSD-LLVKDONJSA-N 0 1 240.397 2.471 20 0 BEADMN CCC[C@H](NC[C@@H](O)C(F)F)c1ccccn1 ZINC000346986978 355186554 /nfs/dbraw/zinc/18/65/54/355186554.db2.gz QMYFFXODSNOYBE-GXSJLCMTSA-N 0 1 244.285 2.138 20 0 BEADMN Cc1cnn(C)c1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000347589918 355247891 /nfs/dbraw/zinc/24/78/91/355247891.db2.gz ABRUZECGVDHCAP-LLVKDONJSA-N 0 1 233.359 2.491 20 0 BEADMN Cc1cnn(C)c1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000347589921 355248527 /nfs/dbraw/zinc/24/85/27/355248527.db2.gz ABRUZECGVDHCAP-NSHDSACASA-N 0 1 233.359 2.491 20 0 BEADMN CC[C@H](C)N1CCN(Cc2ccns2)CC1 ZINC000639236390 355219201 /nfs/dbraw/zinc/21/92/01/355219201.db2.gz ZEQSRCGSHYTOMV-NSHDSACASA-N 0 1 239.388 2.059 20 0 BEADMN COCC[C@H](C)CNc1cccc(C)n1 ZINC000413493773 191390900 /nfs/dbraw/zinc/39/09/00/191390900.db2.gz OYDOMGSTVRYELQ-JTQLQIEISA-N 0 1 208.305 2.475 20 0 BEADMN CCCCN(CC)Cc1cn(C(C)C)nn1 ZINC000347664858 355255827 /nfs/dbraw/zinc/25/58/27/355255827.db2.gz ACNWGDVTZZULPH-UHFFFAOYSA-N 0 1 224.352 2.481 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccn(C)n2)C12CCC2 ZINC000414200652 191459542 /nfs/dbraw/zinc/45/95/42/191459542.db2.gz XOAHVULGBZVCRF-CYZMBNFOSA-N 0 1 249.358 2.028 20 0 BEADMN CC[N@@H+](Cc1cccs1)[C@H](C(=O)[O-])C1CC1 ZINC000084094053 355288727 /nfs/dbraw/zinc/28/87/27/355288727.db2.gz VCHXACVWURDTDK-NSHDSACASA-N 0 1 239.340 2.433 20 0 BEADMN CCO[C@H]1C[C@@H](NCc2nc3ccccc3o2)C1 ZINC000639255833 355296986 /nfs/dbraw/zinc/29/69/86/355296986.db2.gz MRDWPBBZYDLNTO-PHIMTYICSA-N 0 1 246.310 2.485 20 0 BEADMN CCC(C)(C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352016789 134036619 /nfs/dbraw/zinc/03/66/19/134036619.db2.gz ZROXHADAACPEOQ-RYUDHWBXSA-N 0 1 240.391 2.364 20 0 BEADMN CCOC1(C)CN(CC2CCSCC2)C1 ZINC000639263878 355319717 /nfs/dbraw/zinc/31/97/17/355319717.db2.gz HUERSUYZMOYQAH-UHFFFAOYSA-N 0 1 229.389 2.240 20 0 BEADMN CC[C@H](C)[C@H](CN[C@@H](C)c1ccn(C)n1)OC ZINC000414148583 191444661 /nfs/dbraw/zinc/44/46/61/191444661.db2.gz SWNHWGSVDXQUGP-GVXVVHGQSA-N 0 1 239.363 2.132 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000394964303 355333069 /nfs/dbraw/zinc/33/30/69/355333069.db2.gz OYKOCXSBBYDPRC-ATZCPNFKSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1nc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cs1 ZINC000394964307 355333635 /nfs/dbraw/zinc/33/36/35/355333635.db2.gz OYKOCXSBBYDPRC-IQJOONFLSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1ncc(CNC[C@@H](OC)[C@@H](C)CC)o1 ZINC000639251894 355287150 /nfs/dbraw/zinc/28/71/50/355287150.db2.gz LNOAEYYUSBRQIR-CMPLNLGQSA-N 0 1 240.347 2.388 20 0 BEADMN C[C@@H](NCCCCCn1cccn1)c1ccon1 ZINC000349233640 355372076 /nfs/dbraw/zinc/37/20/76/355372076.db2.gz DILQWVBXCOXYAL-GFCCVEGCSA-N 0 1 248.330 2.392 20 0 BEADMN Cc1cnc(CNC[C@@H](C)CC(F)F)o1 ZINC000639283363 355380127 /nfs/dbraw/zinc/38/01/27/355380127.db2.gz PTNCOXVUSRBPEV-ZETCQYMHSA-N 0 1 218.247 2.364 20 0 BEADMN c1[nH]nc2c1C[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC000623238688 355383628 /nfs/dbraw/zinc/38/36/28/355383628.db2.gz QAETWEIVNWNWQM-LLVKDONJSA-N 0 1 217.316 2.124 20 0 BEADMN CC[C@](C)(C[N@H+]1CCOC[C@H]1C1CCC1)OC ZINC000639285572 355391310 /nfs/dbraw/zinc/39/13/10/355391310.db2.gz NLLAYPQIYFRCJB-UONOGXRCSA-N 0 1 241.375 2.302 20 0 BEADMN CS[C@H](C)Cc1nc([C@H](N)CC(C)C)no1 ZINC000414620036 191539292 /nfs/dbraw/zinc/53/92/92/191539292.db2.gz PAFUOHBDMVNZHQ-RKDXNWHRSA-N 0 1 243.376 2.410 20 0 BEADMN c1cncc(CN2CC3(C2)CCCC3)c1 ZINC000335786471 355436229 /nfs/dbraw/zinc/43/62/29/355436229.db2.gz NZTGPGNYOUNIRM-UHFFFAOYSA-N 0 1 202.301 2.458 20 0 BEADMN Cc1nnc(C[N@H+](C)C2CCC(F)(F)CC2)o1 ZINC000335792269 355445228 /nfs/dbraw/zinc/44/52/28/355445228.db2.gz PRIHIMQORSKQJE-UHFFFAOYSA-N 0 1 245.273 2.388 20 0 BEADMN Cc1nnc(CN(C)C2CCC(F)(F)CC2)o1 ZINC000335792269 355445230 /nfs/dbraw/zinc/44/52/30/355445230.db2.gz PRIHIMQORSKQJE-UHFFFAOYSA-N 0 1 245.273 2.388 20 0 BEADMN CN1CCC[C@H]1C(=O)NC1CC(C(C)(C)C)C1 ZINC000335797952 355455701 /nfs/dbraw/zinc/45/57/01/355455701.db2.gz HLQYVHQOFXECHR-MCIGGMRASA-N 0 1 238.375 2.022 20 0 BEADMN Cc1cccn2c(CNC(C)(C)CF)cnc12 ZINC000349803951 355465831 /nfs/dbraw/zinc/46/58/31/355465831.db2.gz RREOHPRXSXRGMG-UHFFFAOYSA-N 0 1 235.306 2.480 20 0 BEADMN C[C@H](CCn1cccn1)N[C@H](C)c1ccon1 ZINC000349832416 355488831 /nfs/dbraw/zinc/48/88/31/355488831.db2.gz JIRIBFLXQIBMHI-GHMZBOCLSA-N 0 1 234.303 2.001 20 0 BEADMN CCN(CCOC)Cc1ccc(Cl)o1 ZINC000349834745 355489860 /nfs/dbraw/zinc/48/98/60/355489860.db2.gz YZINSWMXSNHQMG-UHFFFAOYSA-N 0 1 217.696 2.401 20 0 BEADMN C=C/C=C/CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC001640789076 1172188311 /nfs/dbraw/zinc/18/83/11/1172188311.db2.gz HAMCEGDSXFDVIV-YBJDMEARSA-N 0 1 236.359 2.061 20 0 BEADMN Cc1cc(C2CCN(C(=O)C3(C)CC3)CC2)n[nH]1 ZINC000335835212 355562180 /nfs/dbraw/zinc/56/21/80/355562180.db2.gz LIJTULDTSFVVRW-UHFFFAOYSA-N 0 1 247.342 2.224 20 0 BEADMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1=CCCC1 ZINC000335831861 355558666 /nfs/dbraw/zinc/55/86/66/355558666.db2.gz VUCKTEWKTLRCKA-GXTWGEPZSA-N 0 1 248.370 2.182 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)[nH]1 ZINC000335817438 355507821 /nfs/dbraw/zinc/50/78/21/355507821.db2.gz ITUTZXMERMZUDH-VXGBXAGGSA-N 0 1 234.347 2.268 20 0 BEADMN Cc1nnc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000335817437 355507894 /nfs/dbraw/zinc/50/78/94/355507894.db2.gz ITUTZXMERMZUDH-RYUDHWBXSA-N 0 1 234.347 2.268 20 0 BEADMN Cc1ccc(CN(C)[C@@H]2CCCNC2=O)cc1C ZINC000335859688 355605332 /nfs/dbraw/zinc/60/53/32/355605332.db2.gz RKLOBJFMELSHEY-CQSZACIVSA-N 0 1 246.354 2.014 20 0 BEADMN CC(C)c1nc(CN2CC[C@H](C)[C@H](C)C2)n[nH]1 ZINC000335859906 355605717 /nfs/dbraw/zinc/60/57/17/355605717.db2.gz YGUVKURISXOMIT-WDEREUQCSA-N 0 1 236.363 2.406 20 0 BEADMN CC[N@@H+](CCO)Cc1cc(C)cc(Cl)c1 ZINC000350151038 355616248 /nfs/dbraw/zinc/61/62/48/355616248.db2.gz WYKVEOQQVMFKLP-UHFFFAOYSA-N 0 1 227.735 2.463 20 0 BEADMN CN1CCC[C@H]1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000335836186 355563829 /nfs/dbraw/zinc/56/38/29/355563829.db2.gz MLKNKUGDEFGQNB-ZDUSSCGKSA-N 0 1 243.310 2.201 20 0 BEADMN NC(=O)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000336453090 181201819 /nfs/dbraw/zinc/20/18/19/181201819.db2.gz DDLCAUPOYGVPHD-UHFFFAOYSA-N 0 1 246.625 2.049 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ncccn2)C1 ZINC000335872861 355640340 /nfs/dbraw/zinc/64/03/40/355640340.db2.gz NCWUITINDGEUFA-LBPRGKRZSA-N 0 1 205.305 2.099 20 0 BEADMN CCc1ccc(C)nc1N[C@H](C)Cn1cncn1 ZINC000639306905 355661453 /nfs/dbraw/zinc/66/14/53/355661453.db2.gz KFTYNYMOQQFWJO-LLVKDONJSA-N 0 1 245.330 2.045 20 0 BEADMN CCc1ccc(C)nc1N[C@@H]1CCCNC(=O)C1 ZINC000639307245 355662177 /nfs/dbraw/zinc/66/21/77/355662177.db2.gz RZPWXCFTPSFRSU-GFCCVEGCSA-N 0 1 247.342 2.033 20 0 BEADMN C[C@@H](NCc1nc2ccccc2o1)C1(CO)CC1 ZINC000639309552 355665331 /nfs/dbraw/zinc/66/53/31/355665331.db2.gz MJRQLEITORNKPH-SNVBAGLBSA-N 0 1 246.310 2.078 20 0 BEADMN Cc1nnc(C[N@@H+](C)C2CCC(C)CC2)[nH]1 ZINC000335860125 355622521 /nfs/dbraw/zinc/62/25/21/355622521.db2.gz ONIKTSHDSRLSRD-UHFFFAOYSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)sn1 ZINC000639299238 355625926 /nfs/dbraw/zinc/62/59/26/355625926.db2.gz RJAYQWVIJZNHPX-PWSUYJOCSA-N 0 1 238.356 2.062 20 0 BEADMN CC(C)[C@@H]1CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000335894944 355689120 /nfs/dbraw/zinc/68/91/20/355689120.db2.gz GIZYSXHLZXKHSV-LLVKDONJSA-N 0 1 247.342 2.405 20 0 BEADMN CC[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000335889710 355681456 /nfs/dbraw/zinc/68/14/56/355681456.db2.gz OTLFTGIEFIVTDA-LLVKDONJSA-N 0 1 249.358 2.336 20 0 BEADMN C[C@@H]1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC000335890131 355682533 /nfs/dbraw/zinc/68/25/33/355682533.db2.gz NXBRARDTTGAEDU-PWSUYJOCSA-N 0 1 207.321 2.041 20 0 BEADMN CCC1(CNC(=O)[C@@H]2CCCN2C)CCCC1 ZINC000350724287 355749870 /nfs/dbraw/zinc/74/98/70/355749870.db2.gz JTHFAAYZWFPGLF-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCN(CC)C(=O)CN1C[C@@H]2CCC[C@@H]21 ZINC000350725220 355750563 /nfs/dbraw/zinc/75/05/63/355750563.db2.gz UMALYXYZXLCTBM-STQMWFEESA-N 0 1 238.375 2.119 20 0 BEADMN CCCCN(CC)C(=O)CN1C[C@H]2CCC[C@H]21 ZINC000350725217 355750626 /nfs/dbraw/zinc/75/06/26/355750626.db2.gz UMALYXYZXLCTBM-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](O)[C@@H](NCc1ccns1)c1ccccc1 ZINC000639332561 355759276 /nfs/dbraw/zinc/75/92/76/355759276.db2.gz NBZIQBHEOWOTIH-GXFFZTMASA-N 0 1 248.351 2.355 20 0 BEADMN Cc1ccc(CN(C)C2(CO)CC2)c(F)c1 ZINC000639333089 355761760 /nfs/dbraw/zinc/76/17/60/355761760.db2.gz SFSIAOJWGZBGBZ-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1ccc(C[N@H+](C)C2(CO)CCC2)c(F)c1 ZINC000639333316 355762112 /nfs/dbraw/zinc/76/21/12/355762112.db2.gz HVBQAKCPDUVRFG-UHFFFAOYSA-N 0 1 237.318 2.481 20 0 BEADMN c1ccc2oc(CN3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC000639348856 355789611 /nfs/dbraw/zinc/78/96/11/355789611.db2.gz RXHXYMIEEFZQAS-AOOOYVTPSA-N 0 1 214.268 2.280 20 0 BEADMN Oc1ccc2c(c1)CN(CCC[C@@H]1CCO1)C2 ZINC000639346832 355793061 /nfs/dbraw/zinc/79/30/61/355793061.db2.gz WHJFAPSJQRSWFT-CQSZACIVSA-N 0 1 233.311 2.277 20 0 BEADMN CCc1ncc(C[N@@H+](C)CC2(C)COC2)s1 ZINC000608498111 355825168 /nfs/dbraw/zinc/82/51/68/355825168.db2.gz MQSXPCQHFPKSEA-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN CCc1ncc(CN(C)CC2(C)COC2)s1 ZINC000608498111 355825171 /nfs/dbraw/zinc/82/51/71/355825171.db2.gz MQSXPCQHFPKSEA-UHFFFAOYSA-N 0 1 240.372 2.174 20 0 BEADMN CC[C@H](C)[C@@H](CN1CCO[C@H](CCF)C1)OC ZINC000639352221 355801582 /nfs/dbraw/zinc/80/15/82/355801582.db2.gz FHLBMVMWZRKGTH-YNEHKIRRSA-N 0 1 247.354 2.108 20 0 BEADMN CCc1cnc(CN(CC)C[C@@H]2CCOC2)o1 ZINC000608492741 355817839 /nfs/dbraw/zinc/81/78/39/355817839.db2.gz RHVMIDHWEBYUTK-NSHDSACASA-N 0 1 238.331 2.095 20 0 BEADMN C[C@H](Nc1cc(C(=O)[O-])cc[nH+]1)c1cccnc1 ZINC000035126593 355840352 /nfs/dbraw/zinc/84/03/52/355840352.db2.gz PFLZNRNMTUBUMH-VIFPVBQESA-N 0 1 243.266 2.348 20 0 BEADMN CC(C)(C)[C@H]1C[C@H](NCc2ncc[nH]2)CS1 ZINC000639369598 355855828 /nfs/dbraw/zinc/85/58/28/355855828.db2.gz ADUHIBMGMRDRPO-VHSXEESVSA-N 0 1 239.388 2.420 20 0 BEADMN CC(C)(C)[C@@H]1C[C@H](NCc2ncc[nH]2)CS1 ZINC000639369596 355856095 /nfs/dbraw/zinc/85/60/95/355856095.db2.gz ADUHIBMGMRDRPO-UWVGGRQHSA-N 0 1 239.388 2.420 20 0 BEADMN CC(C)[C@H]1C[C@H](NCc2ncc[nH]2)CS1 ZINC000639370719 355863568 /nfs/dbraw/zinc/86/35/68/355863568.db2.gz GIFCXGQASUPAQX-VHSXEESVSA-N 0 1 225.361 2.029 20 0 BEADMN CC(C)[C@@H]1C[C@H](NCc2ncc[nH]2)CS1 ZINC000639370716 355863870 /nfs/dbraw/zinc/86/38/70/355863870.db2.gz GIFCXGQASUPAQX-UWVGGRQHSA-N 0 1 225.361 2.029 20 0 BEADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cnn(C)c1 ZINC000336055178 134065980 /nfs/dbraw/zinc/06/59/80/134065980.db2.gz PNOUGMKDNMOFCY-SCZZXKLOSA-N 0 1 247.264 2.193 20 0 BEADMN CC1(NCc2ccc3occc3c2)COC1 ZINC000639381485 355918070 /nfs/dbraw/zinc/91/80/70/355918070.db2.gz WAZCWGJRKAWKCK-UHFFFAOYSA-N 0 1 217.268 2.311 20 0 BEADMN CC1(NCc2ccc3cc[nH]c3c2)COC1 ZINC000639381562 355918298 /nfs/dbraw/zinc/91/82/98/355918298.db2.gz XNVSSBAUMHVIPR-UHFFFAOYSA-N 0 1 216.284 2.046 20 0 BEADMN CC1(NCc2coc3ccccc23)COC1 ZINC000639380593 355919157 /nfs/dbraw/zinc/91/91/57/355919157.db2.gz GTUGTRODHSMMSN-UHFFFAOYSA-N 0 1 217.268 2.311 20 0 BEADMN COCC1(C2CC2)CN(Cc2ccoc2C)C1 ZINC000639382693 355930075 /nfs/dbraw/zinc/93/00/75/355930075.db2.gz GLBQYGYHRKDMGL-UHFFFAOYSA-N 0 1 235.327 2.446 20 0 BEADMN CCC1(CC)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000618671460 355885020 /nfs/dbraw/zinc/88/50/20/355885020.db2.gz JVCOODMLRXHFJB-UHFFFAOYSA-N 0 1 235.331 2.452 20 0 BEADMN Cc1nccc(CN2CCC(CCF)CC2)n1 ZINC000639376709 355900642 /nfs/dbraw/zinc/90/06/42/355900642.db2.gz VTTMVEGPUZGXTB-UHFFFAOYSA-N 0 1 237.322 2.357 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)[C@@H]1CCSC1 ZINC000336060353 134068559 /nfs/dbraw/zinc/06/85/59/134068559.db2.gz CIDXTFSPAHKHPP-MRVPVSSYSA-N 0 1 247.323 2.255 20 0 BEADMN COCc1cc(CN[C@@H](C)CC2CCC2)no1 ZINC000639389538 356006790 /nfs/dbraw/zinc/00/67/90/356006790.db2.gz KQQHVUBTAFGOPV-JTQLQIEISA-N 0 1 238.331 2.489 20 0 BEADMN COCc1cc(CN[C@H](C)CC2CCC2)no1 ZINC000639389539 356006931 /nfs/dbraw/zinc/00/69/31/356006931.db2.gz KQQHVUBTAFGOPV-SNVBAGLBSA-N 0 1 238.331 2.489 20 0 BEADMN Cc1nccc(CN(C)CCCOC(C)C)n1 ZINC000351623615 356032892 /nfs/dbraw/zinc/03/28/92/356032892.db2.gz RZCZOBSFYCYOGX-UHFFFAOYSA-N 0 1 237.347 2.032 20 0 BEADMN COc1ccncc1CN1CCC(C)(F)CC1 ZINC000639389163 356010951 /nfs/dbraw/zinc/01/09/51/356010951.db2.gz RRBAIRBGAPPTOL-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CCCCC[C@@H]1CCCN1Cc1nccc(N)n1 ZINC000351541722 356012910 /nfs/dbraw/zinc/01/29/10/356012910.db2.gz XZDUBOTZJBKGFP-GFCCVEGCSA-N 0 1 248.374 2.434 20 0 BEADMN C[C@H](c1cnn(C)c1)[N@H+](C)CC[C@H](C)F ZINC000351735633 356074852 /nfs/dbraw/zinc/07/48/52/356074852.db2.gz MUAWYDVURAWTTC-VHSXEESVSA-N 0 1 213.300 2.161 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1C[C@@H](C)[C@H](O)C1 ZINC000351806167 356088752 /nfs/dbraw/zinc/08/87/52/356088752.db2.gz DPPBTVWOOQQNKG-VDDIYKPWSA-N 0 1 241.281 2.338 20 0 BEADMN FC(F)(F)C1CCN([C@H]2CCOC2)CC1 ZINC000335914829 356152522 /nfs/dbraw/zinc/15/25/22/356152522.db2.gz DSBLQNBWPXSFRH-VIFPVBQESA-N 0 1 223.238 2.050 20 0 BEADMN C[C@@H]1N(Cc2ccn(C)c2)CCOC1(C)C ZINC000335916509 356158357 /nfs/dbraw/zinc/15/83/57/356158357.db2.gz TZDRFFWTUJDLRC-NSHDSACASA-N 0 1 222.332 2.024 20 0 BEADMN CC(C)OC(=O)[C@@H](C)N(C)CCCCF ZINC000351895005 356162644 /nfs/dbraw/zinc/16/26/44/356162644.db2.gz ZQABZEPQQAFSFX-SNVBAGLBSA-N 0 1 219.300 2.008 20 0 BEADMN C[C@H]1CCN(Cc2cnn(C)c2C(F)(F)F)C1 ZINC000335919081 356166206 /nfs/dbraw/zinc/16/62/06/356166206.db2.gz UDWKQGNHWONOCC-QMMMGPOBSA-N 0 1 247.264 2.281 20 0 BEADMN CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352131434 134079293 /nfs/dbraw/zinc/07/92/93/134079293.db2.gz QYULBLPITNUEGI-LLVKDONJSA-N 0 1 226.364 2.022 20 0 BEADMN CC1(C)C[NH+](Cc2ccc3nc[nH]c3c2)C1 ZINC000639402362 356176325 /nfs/dbraw/zinc/17/63/25/356176325.db2.gz BWGPZMGDVSCMKL-UHFFFAOYSA-N 0 1 215.300 2.405 20 0 BEADMN CCOC1CC(C[N@H+]2C[C@H](C)OC[C@@H]2CC)C1 ZINC000351885058 356136802 /nfs/dbraw/zinc/13/68/02/356136802.db2.gz AVKMXEWQEQETNE-AHPWVWPOSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(Cl)o1 ZINC000336107379 134082941 /nfs/dbraw/zinc/08/29/41/134082941.db2.gz HCTWRXDEPHDYSY-DTWKUNHWSA-N 0 1 229.707 2.136 20 0 BEADMN COc1ccccc1C[C@H]1CCCN1CC(C)=O ZINC000639465695 356251885 /nfs/dbraw/zinc/25/18/85/356251885.db2.gz NRRLAEXUFUUOQI-CQSZACIVSA-N 0 1 247.338 2.291 20 0 BEADMN C[C@@H](C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1)N(C)C ZINC000617666872 356267533 /nfs/dbraw/zinc/26/75/33/356267533.db2.gz SMLUKLHCDZLKAB-QNWHQSFQSA-N 0 1 240.391 2.125 20 0 BEADMN CC[C@H](C)CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000617638305 356241146 /nfs/dbraw/zinc/24/11/46/356241146.db2.gz KWZYBBAMXZDFNZ-QWRGUYRKSA-N 0 1 249.358 2.382 20 0 BEADMN COCCN(C)Cc1c(C)cc(C)nc1C ZINC000639458005 356243852 /nfs/dbraw/zinc/24/38/52/356243852.db2.gz QFZHKRHBVXWFKF-UHFFFAOYSA-N 0 1 222.332 2.085 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000639480187 356294247 /nfs/dbraw/zinc/29/42/47/356294247.db2.gz GIZHQAZGGLYQGC-ZCFIWIBFSA-N 0 1 243.257 2.218 20 0 BEADMN Cc1cc(C)c(CN(C)[C@H]2CCOC2)c(C)n1 ZINC000639482027 356297032 /nfs/dbraw/zinc/29/70/32/356297032.db2.gz GRKCAGLAIWXCDH-ZDUSSCGKSA-N 0 1 234.343 2.228 20 0 BEADMN CCC(F)(F)CN1CCN(C2CCC2)CC1 ZINC000639488433 356305472 /nfs/dbraw/zinc/30/54/72/356305472.db2.gz IDYJUZKGJCPJNM-UHFFFAOYSA-N 0 1 232.318 2.202 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2nc(CC3CC3)no2)C1 ZINC000639493783 356316933 /nfs/dbraw/zinc/31/69/33/356316933.db2.gz CUYXRGJJVQLMSI-UWVGGRQHSA-N 0 1 235.331 2.252 20 0 BEADMN NC(=O)[C@@H](c1ccccc1)N1C[C@H]2CCCC[C@H]21 ZINC000368093192 181266113 /nfs/dbraw/zinc/26/61/13/181266113.db2.gz OURLFQXIIROVPU-MGPQQGTHSA-N 0 1 244.338 2.087 20 0 BEADMN CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000352400310 356337374 /nfs/dbraw/zinc/33/73/74/356337374.db2.gz XBQGRUYDBLCHGO-GFCCVEGCSA-N 0 1 226.364 2.119 20 0 BEADMN Cc1nnc(NC(=O)c2sccc2C2CC2)[nH]1 ZINC000336135140 134095769 /nfs/dbraw/zinc/09/57/69/134095769.db2.gz BGVGJEQVYYGIGZ-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN Cc1n[nH]c(NC(=O)c2sccc2C2CC2)n1 ZINC000336135140 134095770 /nfs/dbraw/zinc/09/57/70/134095770.db2.gz BGVGJEQVYYGIGZ-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN CCCC[C@@H](C)N(C)Cc1ncccn1 ZINC000352422849 356347596 /nfs/dbraw/zinc/34/75/96/356347596.db2.gz LDKKYVOXCSJYCN-LLVKDONJSA-N 0 1 207.321 2.487 20 0 BEADMN CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccccn1 ZINC000639512980 356349851 /nfs/dbraw/zinc/34/98/51/356349851.db2.gz ZLJSYMAIMMVXDJ-GFCCVEGCSA-N 0 1 249.358 2.388 20 0 BEADMN CC(=O)CN1CC[C@@](C)(c2ccccc2)C1 ZINC000639513570 356351379 /nfs/dbraw/zinc/35/13/79/356351379.db2.gz KJBBLHZJUTYFRJ-CQSZACIVSA-N 0 1 217.312 2.239 20 0 BEADMN CC[C@H]1CN(C)c2ccccc2CN1CC(C)=O ZINC000639515519 356352291 /nfs/dbraw/zinc/35/22/91/356352291.db2.gz ZAQRUVSFVNQCST-AWEZNQCLSA-N 0 1 246.354 2.306 20 0 BEADMN C[C@@H]1N(C[C@@H]2CC(C)(C)CO2)CCOC1(C)C ZINC000639518014 356360265 /nfs/dbraw/zinc/36/02/65/356360265.db2.gz VZOKTGGKNOEOQI-RYUDHWBXSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1N(C[C@H]2CC(C)(C)CO2)CCOC1(C)C ZINC000639518013 356360462 /nfs/dbraw/zinc/36/04/62/356360462.db2.gz VZOKTGGKNOEOQI-NWDGAFQWSA-N 0 1 241.375 2.301 20 0 BEADMN c1cc([C@H]2CCCCN2C[C@H]2CCCO2)n[nH]1 ZINC000336130992 134094763 /nfs/dbraw/zinc/09/47/63/134094763.db2.gz MRQKKVYYKGKBMN-DGCLKSJQSA-N 0 1 235.331 2.116 20 0 BEADMN CC[C@@H]1CCCN(C(=O)c2cnc[nH]2)CC1 ZINC000336534684 356388213 /nfs/dbraw/zinc/38/82/13/356388213.db2.gz GHSDPUDOAPJFNF-SNVBAGLBSA-N 0 1 221.304 2.062 20 0 BEADMN CC1(C)CO[C@@H](CN2CCOCC23CCC3)C1 ZINC000639545100 356405748 /nfs/dbraw/zinc/40/57/48/356405748.db2.gz QOBQIBOULPODBO-GFCCVEGCSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1ccccn1 ZINC000639558644 356463550 /nfs/dbraw/zinc/46/35/50/356463550.db2.gz FTONWICVQZLBEU-NEPJUHHUSA-N 0 1 247.342 2.283 20 0 BEADMN CCn1ccnc1CNCCC(C)(F)F ZINC000379283941 356439811 /nfs/dbraw/zinc/43/98/11/356439811.db2.gz FSEJWBZRRUAWBA-UHFFFAOYSA-N 0 1 217.263 2.038 20 0 BEADMN CC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000639566077 356486409 /nfs/dbraw/zinc/48/64/09/356486409.db2.gz OOWQTPFJPDEKIC-LBPRGKRZSA-N 0 1 243.310 2.112 20 0 BEADMN CC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000639567910 356490761 /nfs/dbraw/zinc/49/07/61/356490761.db2.gz FNHJODZAZFLCQK-CYBMUJFWSA-N 0 1 203.285 2.316 20 0 BEADMN CCCN1C[C@H](CNc2cc(C)ccn2)CC1=O ZINC000420653266 192255692 /nfs/dbraw/zinc/25/56/92/192255692.db2.gz OAPRIVJBWMMMSF-LBPRGKRZSA-N 0 1 247.342 2.060 20 0 BEADMN CC(C)(O)CCN[C@H]1CCCc2scnc21 ZINC000623963736 356476514 /nfs/dbraw/zinc/47/65/14/356476514.db2.gz NRGPZRNMWCYQHY-VIFPVBQESA-N 0 1 240.372 2.271 20 0 BEADMN CC[C@H](NCC(C)=O)c1ccc2c(c1)OCCO2 ZINC000639561929 356476876 /nfs/dbraw/zinc/47/68/76/356476876.db2.gz QZKIMYXABZMFPK-LBPRGKRZSA-N 0 1 249.310 2.088 20 0 BEADMN C[C@H]1CCCCN(CC(=O)Nc2ccccn2)C1 ZINC000639594417 356513370 /nfs/dbraw/zinc/51/33/70/356513370.db2.gz RJDASWRPWMSAEW-LBPRGKRZSA-N 0 1 247.342 2.142 20 0 BEADMN CC(C)[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CCO1 ZINC000639572017 356496266 /nfs/dbraw/zinc/49/62/66/356496266.db2.gz MTNRMPQCBXBNIQ-OLZOCXBDSA-N 0 1 241.375 2.158 20 0 BEADMN C[C@@H]1C[C@H]1CN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291784 356510584 /nfs/dbraw/zinc/51/05/84/356510584.db2.gz SMFNSXUHGGDIRG-MDZLAQPJSA-N 0 1 244.338 2.485 20 0 BEADMN CC1(C)CO[C@@H](CN2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000639615995 356533632 /nfs/dbraw/zinc/53/36/32/356533632.db2.gz AFRJAEWBBHWPPR-DGCLKSJQSA-N 0 1 249.358 2.362 20 0 BEADMN C[C@@H]1CCC[C@H]1NCc1nc(CC2CC2)no1 ZINC000639612357 356536813 /nfs/dbraw/zinc/53/68/13/356536813.db2.gz HGKAQXSSIIVXFB-MWLCHTKSSA-N 0 1 235.331 2.300 20 0 BEADMN CC[C@H](NCc1cc(Cl)cs1)C(=O)NC ZINC000449775850 202031012 /nfs/dbraw/zinc/03/10/12/202031012.db2.gz NYSURAGMUPUBMY-VIFPVBQESA-N 0 1 246.763 2.016 20 0 BEADMN Cc1ccc(CNCC[N@H+]2CCCC2(C)C)nc1 ZINC000449780926 202034089 /nfs/dbraw/zinc/03/40/89/202034089.db2.gz HHZLTFLKUAZHGR-UHFFFAOYSA-N 0 1 247.386 2.354 20 0 BEADMN COc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421011388 192299679 /nfs/dbraw/zinc/29/96/79/192299679.db2.gz DMADXLSXQRKVHI-CQSZACIVSA-N 0 1 233.311 2.060 20 0 BEADMN CC(C)N(Cc1cn(C)nn1)C1CC(C)(C)C1 ZINC000449781342 202034693 /nfs/dbraw/zinc/03/46/93/202034693.db2.gz IALXSYKCROARQD-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN CC[C@H](F)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014176 192302017 /nfs/dbraw/zinc/30/20/17/192302017.db2.gz KDTDKMFYELNHNF-RYUDHWBXSA-N 0 1 217.328 2.219 20 0 BEADMN CC[N@H+]1C[C@H](C)N(CC2CC(F)(F)C2)C[C@H]1C ZINC000336197567 134126788 /nfs/dbraw/zinc/12/67/88/134126788.db2.gz WICGLJGLQQYSAP-MNOVXSKESA-N 0 1 246.345 2.446 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)nc1 ZINC000421014216 192302945 /nfs/dbraw/zinc/30/29/45/192302945.db2.gz KFDKLGITKKPZRW-CQSZACIVSA-N 0 1 248.370 2.375 20 0 BEADMN Cc1cccc(OCCN2CC[C@]23CCOC3)c1 ZINC000421017131 192304496 /nfs/dbraw/zinc/30/44/96/192304496.db2.gz JVIQAUMFBYZGKF-OAHLLOKOSA-N 0 1 247.338 2.239 20 0 BEADMN Cc1ccncc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421019301 192304623 /nfs/dbraw/zinc/30/46/23/192304623.db2.gz POXUPENQOITLKJ-AWEZNQCLSA-N 0 1 248.370 2.375 20 0 BEADMN OCC[C@H]1CCCN(Cc2cscn2)CC1 ZINC000421041446 192310810 /nfs/dbraw/zinc/31/08/10/192310810.db2.gz OOXHPSZHXMSSAT-NSHDSACASA-N 0 1 240.372 2.128 20 0 BEADMN CC[C@H](C)NCc1nn(C)c(C)c1Cl ZINC000421336253 192319135 /nfs/dbraw/zinc/31/91/35/192319135.db2.gz VUVMSWIZXCWOMT-ZETCQYMHSA-N 0 1 215.728 2.270 20 0 BEADMN O[C@]1(C(F)F)CCN(Cc2cccc(F)c2)C1 ZINC000336207375 134132532 /nfs/dbraw/zinc/13/25/32/134132532.db2.gz OLBZLXUYBZJFGO-GFCCVEGCSA-N 0 1 245.244 2.028 20 0 BEADMN C[C@@H]1[C@H](C)CN(Cc2nc(CC3CC3)no2)[C@H]1C ZINC000639671956 356588810 /nfs/dbraw/zinc/58/88/10/356588810.db2.gz DHPGLPDPVLXWJB-MXWKQRLJSA-N 0 1 249.358 2.498 20 0 BEADMN COC[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000352297803 134139474 /nfs/dbraw/zinc/13/94/74/134139474.db2.gz PHJMYSUKWOFVJE-MRVPVSSYSA-N 0 1 217.696 2.400 20 0 BEADMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CCCCCF ZINC000639688277 356597398 /nfs/dbraw/zinc/59/73/98/356597398.db2.gz FYNBETMXXMMKLQ-IJLUTSLNSA-N 0 1 244.354 2.066 20 0 BEADMN c1cc(CN2CCC[C@@H](c3cccnc3)C2)n[nH]1 ZINC000639696483 356605289 /nfs/dbraw/zinc/60/52/89/356605289.db2.gz KFQWZVMUJOGLMS-CYBMUJFWSA-N 0 1 242.326 2.184 20 0 BEADMN CCc1nc(CN(C)c2ccsc2)n[nH]1 ZINC000639736396 356629607 /nfs/dbraw/zinc/62/96/07/356629607.db2.gz QUAQKYMCYGIDDB-UHFFFAOYSA-N 0 1 222.317 2.065 20 0 BEADMN CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000639751229 356643398 /nfs/dbraw/zinc/64/33/98/356643398.db2.gz YMYRXJQCGAJZJZ-CQSZACIVSA-N 0 1 247.386 2.244 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)N1CC(N(C)C)C1 ZINC000450297986 202122749 /nfs/dbraw/zinc/12/27/49/202122749.db2.gz KTGUOZPKZXMWKS-GFCCVEGCSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000323870505 356661206 /nfs/dbraw/zinc/66/12/06/356661206.db2.gz RLVNZJCKMYHVJB-LLVKDONJSA-N 0 1 243.310 2.481 20 0 BEADMN C[C@@H]1CCN(Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450335170 202131941 /nfs/dbraw/zinc/13/19/41/202131941.db2.gz WLQIOEUJLDIOMZ-SECBINFHSA-N 0 1 247.264 2.287 20 0 BEADMN CCCN1CCC[C@H]1c1nc(-c2ccon2)no1 ZINC000350649030 366315838 /nfs/dbraw/zinc/31/58/38/366315838.db2.gz ZUYSCKUHRUJTCP-JTQLQIEISA-N 0 1 248.286 2.272 20 0 BEADMN CCCN1CCC[C@@H]1c1nc(-c2ccon2)no1 ZINC000350649031 366316141 /nfs/dbraw/zinc/31/61/41/366316141.db2.gz ZUYSCKUHRUJTCP-SNVBAGLBSA-N 0 1 248.286 2.272 20 0 BEADMN COC(=O)[C@H]1CCCN1CC1=CCCCC1 ZINC000450355367 202143380 /nfs/dbraw/zinc/14/33/80/202143380.db2.gz QNSWMWMHZXSFBH-GFCCVEGCSA-N 0 1 223.316 2.124 20 0 BEADMN C[C@@H]1CC[C@H](O)CN1Cc1cc(F)cc(F)c1 ZINC000399488542 356664866 /nfs/dbraw/zinc/66/48/66/356664866.db2.gz SGVIHMRFJCJNGA-RNCFNFMXSA-N 0 1 241.281 2.310 20 0 BEADMN CC[C@H](N[C@@H](C)C(C)(F)F)[C@H]1CCOC1 ZINC000389482387 356688709 /nfs/dbraw/zinc/68/87/09/356688709.db2.gz HUVHHBHLGYNNKL-GUBZILKMSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@H](N[C@H](C)C(C)(F)F)[C@H]1CCOC1 ZINC000389482388 356688754 /nfs/dbraw/zinc/68/87/54/356688754.db2.gz HUVHHBHLGYNNKL-UTLUCORTSA-N 0 1 221.291 2.435 20 0 BEADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@@H]1CCOC1 ZINC000389496199 356691692 /nfs/dbraw/zinc/69/16/92/356691692.db2.gz YQVGUCQCHAZPTP-XHNCKOQMSA-N 0 1 207.264 2.045 20 0 BEADMN Cc1cc(C(=O)N(C)Cc2cccs2)n[nH]1 ZINC000054126448 363562870 /nfs/dbraw/zinc/56/28/70/363562870.db2.gz SRUQWNVAZYVAGS-UHFFFAOYSA-N 0 1 235.312 2.052 20 0 BEADMN CCC(=O)CCCN1CCOC[C@H]1CC(C)C ZINC000450405730 202156362 /nfs/dbraw/zinc/15/63/62/202156362.db2.gz QUURCCNDDPXWIJ-CYBMUJFWSA-N 0 1 241.375 2.493 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000036169700 356706974 /nfs/dbraw/zinc/70/69/74/356706974.db2.gz QPVGHMNLLFUVJG-TZMCWYRMSA-N 0 1 246.354 2.335 20 0 BEADMN CC[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000036169701 356707333 /nfs/dbraw/zinc/70/73/33/356707333.db2.gz QPVGHMNLLFUVJG-GXTWGEPZSA-N 0 1 246.354 2.335 20 0 BEADMN c1n[nH]cc1[C@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000639776919 356719364 /nfs/dbraw/zinc/71/93/64/356719364.db2.gz QSEMYPRRKDCDHL-CQSZACIVSA-N 0 1 249.358 2.363 20 0 BEADMN CCO[C@@H](C[N@H+]1CCC[C@H]1c1cn[nH]c1)C1CC1 ZINC000639776942 356719754 /nfs/dbraw/zinc/71/97/54/356719754.db2.gz RERZLVXZRPSEHX-KBPBESRZSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1ccnc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778565 356723201 /nfs/dbraw/zinc/72/32/01/356723201.db2.gz RKTGDQYPEOVWMJ-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN c1nc(CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cs1 ZINC000639779075 356726086 /nfs/dbraw/zinc/72/60/86/356726086.db2.gz XDSOPTZMXTYFIY-GFCCVEGCSA-N 0 1 248.355 2.246 20 0 BEADMN CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000354266249 356733544 /nfs/dbraw/zinc/73/35/44/356733544.db2.gz CXERPHCDOXXRRM-FRRDWIJNSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1nnc(CN2[C@@H](C)CC[C@@H]2CC)[nH]1 ZINC000355053221 356748545 /nfs/dbraw/zinc/74/85/45/356748545.db2.gz OEKLQUCZEYTTMV-UWVGGRQHSA-N 0 1 222.336 2.130 20 0 BEADMN CC[C@@H](NC[C@H](OC)C(C)C)c1ccn(C)n1 ZINC000542678016 325041286 /nfs/dbraw/zinc/04/12/86/325041286.db2.gz ORXVBLKMIUZVPA-YPMHNXCESA-N 0 1 239.363 2.132 20 0 BEADMN C[C@@H](N(C)Cc1cn(CC2CC2)nn1)C1(C)CC1 ZINC000450483709 202180284 /nfs/dbraw/zinc/18/02/84/202180284.db2.gz FPDZKYZYHRVOCH-LLVKDONJSA-N 0 1 248.374 2.309 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000281791066 538693437 /nfs/dbraw/zinc/69/34/37/538693437.db2.gz LJKROUNWNGRSCC-GMSGAONNSA-N 0 1 247.273 2.230 20 0 BEADMN O=C1CN(CC2=CCCCC2)[C@H]2CCCC[C@@H]2N1 ZINC000450488555 202181797 /nfs/dbraw/zinc/18/17/97/202181797.db2.gz XVONHUWILYJWHW-KBPBESRZSA-N 0 1 248.370 2.230 20 0 BEADMN CO[C@H](CN1CCC[C@@H]1c1ncccn1)C1CC1 ZINC000639863812 356874183 /nfs/dbraw/zinc/87/41/83/356874183.db2.gz CBOCEQIYWGSTHP-CHWSQXEVSA-N 0 1 247.342 2.039 20 0 BEADMN CCOCCCN1CCC[C@H]1c1ncccn1 ZINC000639842203 356836388 /nfs/dbraw/zinc/83/63/88/356836388.db2.gz BYFALBYRSLJZJI-LBPRGKRZSA-N 0 1 235.331 2.040 20 0 BEADMN CCO[C@H]1CCCN(Cc2cncs2)C1 ZINC000155439270 538712619 /nfs/dbraw/zinc/71/26/19/538712619.db2.gz JORQIKYNLSLUCA-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CCN(Cc1ccccc1F)[C@@H]1CCOC1 ZINC000361237612 356921017 /nfs/dbraw/zinc/92/10/17/356921017.db2.gz LJZRIVWJOHYKFR-GFCCVEGCSA-N 0 1 223.291 2.437 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@H](C)c2ncc[nH]2)C1(C)C ZINC000353521573 538748591 /nfs/dbraw/zinc/74/85/91/538748591.db2.gz QFHAELMEUNIEHU-GBIKHYSHSA-N 0 1 237.347 2.264 20 0 BEADMN CC(C)CN(C)Cc1cn(C(C)(C)C)nn1 ZINC000361507309 356931261 /nfs/dbraw/zinc/93/12/61/356931261.db2.gz DDRSGTPHPHCKLQ-UHFFFAOYSA-N 0 1 224.352 2.121 20 0 BEADMN CCN(Cc1ncccn1)CC(C)(C)C ZINC000361521767 356932154 /nfs/dbraw/zinc/93/21/54/356932154.db2.gz IOIKUQJVYLELJB-UHFFFAOYSA-N 0 1 207.321 2.345 20 0 BEADMN CC[C@@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000361546546 356932706 /nfs/dbraw/zinc/93/27/06/356932706.db2.gz BTVVFEQFXDDJIH-GFCCVEGCSA-N 0 1 236.363 2.408 20 0 BEADMN C[C@@H](N[C@@H](CO)CC1CCCC1)c1ncc[nH]1 ZINC000353594576 538751796 /nfs/dbraw/zinc/75/17/96/538751796.db2.gz NAACSRAGXRHICC-ZYHUDNBSSA-N 0 1 237.347 2.002 20 0 BEADMN Cc1ccoc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000017304368 356962478 /nfs/dbraw/zinc/96/24/78/356962478.db2.gz MHHCYLBNKHUFHE-UHFFFAOYSA-N 0 1 241.250 2.139 20 0 BEADMN CC1(C)CC[C@@H](N2CCn3cncc3C2)C1 ZINC000367945139 356962504 /nfs/dbraw/zinc/96/25/04/356962504.db2.gz UVMOKBKYTDXHKS-LLVKDONJSA-N 0 1 219.332 2.277 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1C2CCC1CC2 ZINC000399538223 356972790 /nfs/dbraw/zinc/97/27/90/356972790.db2.gz POMLBRRTWQHHAR-KPPDAEKUSA-N 0 1 225.332 2.343 20 0 BEADMN c1ccc(C[C@@H]2CCN2Cc2cncnc2)cc1 ZINC000353995789 538770187 /nfs/dbraw/zinc/77/01/87/538770187.db2.gz LMWVYPPETLHHAI-HNNXBMFYSA-N 0 1 239.322 2.294 20 0 BEADMN C[C@H](O)CCNCc1coc(-c2ccccc2)n1 ZINC000156132954 538771119 /nfs/dbraw/zinc/77/11/19/538771119.db2.gz MOORVUNWORNKCB-NSHDSACASA-N 0 1 246.310 2.202 20 0 BEADMN CC[C@H]1CCCN(C(=O)CN(CC)C2CC2)C1 ZINC000131000078 325106828 /nfs/dbraw/zinc/10/68/28/325106828.db2.gz BTSNTXUBTKSTKS-LBPRGKRZSA-N 0 1 238.375 2.119 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C)o1 ZINC000389901038 357064583 /nfs/dbraw/zinc/06/45/83/357064583.db2.gz BWSPVQAIAKJBQH-JFGNBEQYSA-N 0 1 209.289 2.416 20 0 BEADMN C/C=C\C[C@H](CO)N[C@@H](C)c1cscn1 ZINC000390011878 357083479 /nfs/dbraw/zinc/08/34/79/357083479.db2.gz ZPCUDEKKLASQIX-RWCMCFKCSA-N 0 1 226.345 2.121 20 0 BEADMN C[C@H](Cc1ccsc1)NCc1cocn1 ZINC000390002870 357083829 /nfs/dbraw/zinc/08/38/29/357083829.db2.gz UVLGZGYOZFVRIK-SECBINFHSA-N 0 1 222.313 2.457 20 0 BEADMN CCC[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085612228 357100776 /nfs/dbraw/zinc/10/07/76/357100776.db2.gz IHDUWHJFQSORRO-UWVGGRQHSA-N 0 1 231.361 2.067 20 0 BEADMN CC(C)(C)CC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000085611427 357100823 /nfs/dbraw/zinc/10/08/23/357100823.db2.gz FBPSUZPLXSEAQL-JTQLQIEISA-N 0 1 245.388 2.315 20 0 BEADMN CC1(C)CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000639881977 357132001 /nfs/dbraw/zinc/13/20/01/357132001.db2.gz QAGNSQBHRDNSLA-UHFFFAOYSA-N 0 1 243.257 2.219 20 0 BEADMN CC[C@@H]1C(=O)NCCN1CCCC1CCCC1 ZINC000121651920 357141726 /nfs/dbraw/zinc/14/17/26/357141726.db2.gz VTOHYDFXOYWGLD-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](O)[C@H]1CCCCN1Cc1ncc(C)o1 ZINC000304290670 357161475 /nfs/dbraw/zinc/16/14/75/357161475.db2.gz CLBMKLBBSIEKPL-VXGBXAGGSA-N 0 1 238.331 2.108 20 0 BEADMN CCC[C@@H](CNCc1cc(C)no1)OCC ZINC000631181457 357166994 /nfs/dbraw/zinc/16/69/94/357166994.db2.gz OCPUESMCOPHLKJ-NSHDSACASA-N 0 1 226.320 2.278 20 0 BEADMN CCc1nnc(NC(=O)CCC2CCCC2)[nH]1 ZINC000123007885 357203556 /nfs/dbraw/zinc/20/35/56/357203556.db2.gz MEPWEEPZDCNYES-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)CCC2CCCC2)n1 ZINC000123007885 357203559 /nfs/dbraw/zinc/20/35/59/357203559.db2.gz MEPWEEPZDCNYES-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN Fc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1F ZINC000628409790 357207239 /nfs/dbraw/zinc/20/72/39/357207239.db2.gz ZNSFAPBHNPETSX-AOOOYVTPSA-N 0 1 209.239 2.417 20 0 BEADMN CCc1nc(NC(=O)c2ccc(C)c(C)c2)n[nH]1 ZINC000123105181 357212304 /nfs/dbraw/zinc/21/23/04/357212304.db2.gz LXAXPHRFLKFVCF-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN CCc1n[nH]c(NC(=O)c2ccc(C)c(C)c2)n1 ZINC000123105181 357212307 /nfs/dbraw/zinc/21/23/07/357212307.db2.gz LXAXPHRFLKFVCF-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)n[nH]1 ZINC000054778769 363579156 /nfs/dbraw/zinc/57/91/56/363579156.db2.gz VIJRGBNEENWNCO-CYBMUJFWSA-N 0 1 241.294 2.305 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1Cl ZINC000393813811 357301130 /nfs/dbraw/zinc/30/11/30/357301130.db2.gz TTXWDMJSOHDCMR-VIFPVBQESA-N 0 1 241.718 2.287 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1 ZINC000216505892 357329182 /nfs/dbraw/zinc/32/91/82/357329182.db2.gz YSARJIDEENRQRM-ZDUSSCGKSA-N 0 1 235.327 2.414 20 0 BEADMN CN(C(=O)CCc1cnc[nH]1)[C@@H]1CCC(C)(C)C1 ZINC000357675466 538831638 /nfs/dbraw/zinc/83/16/38/538831638.db2.gz NCGADMHDWLCSGF-GFCCVEGCSA-N 0 1 249.358 2.379 20 0 BEADMN Cn1cnnc1CN1CCC2(CCCCC2)CC1 ZINC000102410666 357390183 /nfs/dbraw/zinc/39/01/83/357390183.db2.gz RSMVVFLLHLGYQT-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CCn1ccnc1CNCC1(C(F)(F)F)CC1 ZINC000582801892 357399928 /nfs/dbraw/zinc/39/99/28/357399928.db2.gz PXDOKGREYOBIRT-UHFFFAOYSA-N 0 1 247.264 2.335 20 0 BEADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCCCCF ZINC000397086999 357498481 /nfs/dbraw/zinc/49/84/81/357498481.db2.gz JFEWQGLDXDCYOG-QWRGUYRKSA-N 0 1 231.311 2.311 20 0 BEADMN Cc1cnccc1C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397050557 357491632 /nfs/dbraw/zinc/49/16/32/357491632.db2.gz XUIKSGYHTNRTFT-WCQYABFASA-N 0 1 248.326 2.075 20 0 BEADMN CCCN(CCC(C)(C)OC)CC(=O)OCC ZINC000230413904 357522267 /nfs/dbraw/zinc/52/22/67/357522267.db2.gz YZVAJZRMDOIVCX-UHFFFAOYSA-N 0 1 245.363 2.077 20 0 BEADMN FC(F)(F)CCNCc1cccc2c1OCO2 ZINC000063099407 357525895 /nfs/dbraw/zinc/52/58/95/357525895.db2.gz KQKFLIFQMJWUJW-UHFFFAOYSA-N 0 1 247.216 2.457 20 0 BEADMN Cc1ccc(CNCc2cncc(F)c2)cn1 ZINC000230938850 357581079 /nfs/dbraw/zinc/58/10/79/357581079.db2.gz FWFMTIRPUNMYJK-UHFFFAOYSA-N 0 1 231.274 2.214 20 0 BEADMN CC(C)CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000390433228 538866944 /nfs/dbraw/zinc/86/69/44/538866944.db2.gz GEKSOFRPYOJSIH-RYUDHWBXSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1nc([C@@H](C)NCC2(O)CCC2)c(C)s1 ZINC000158869993 538869792 /nfs/dbraw/zinc/86/97/92/538869792.db2.gz SPZCKZGRXZMPAT-MRVPVSSYSA-N 0 1 240.372 2.326 20 0 BEADMN C[C@@H]1CN(C(=O)CC2(C)CCCCC2)CCN1 ZINC000189020256 357600662 /nfs/dbraw/zinc/60/06/62/357600662.db2.gz MPUQDRNJXKYIDW-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN c1cc(CNC[C@@H]2CCOc3ccccc32)no1 ZINC000159113630 538874129 /nfs/dbraw/zinc/87/41/29/538874129.db2.gz MDQVXFIHDZVSIQ-NSHDSACASA-N 0 1 244.294 2.331 20 0 BEADMN CC/C=C/CCN1CCCN(CCC)C(=O)C1 ZINC000189409320 357641202 /nfs/dbraw/zinc/64/12/02/357641202.db2.gz CVJXACDZMZAOIT-AATRIKPKSA-N 0 1 238.375 2.287 20 0 BEADMN CC[C@@H]1COCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232143077 357647800 /nfs/dbraw/zinc/64/78/00/357647800.db2.gz GTMXNDKBKOJSCD-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H]1COCCN1C[C@@H](O)CC1CCCC1 ZINC000232143077 357647805 /nfs/dbraw/zinc/64/78/05/357647805.db2.gz GTMXNDKBKOJSCD-KGLIPLIRSA-N 0 1 241.375 2.038 20 0 BEADMN CC[C@@H](C)N(C)Cc1nccc(OC)c1OC ZINC000190846755 357726864 /nfs/dbraw/zinc/72/68/64/357726864.db2.gz QEWLDYSVNIPIAS-SNVBAGLBSA-N 0 1 238.331 2.329 20 0 BEADMN CCC(=O)CCN1CCOC2(CCCCC2)C1 ZINC000190251741 357698236 /nfs/dbraw/zinc/69/82/36/357698236.db2.gz LTGYAAJLHURXQM-UHFFFAOYSA-N 0 1 239.359 2.391 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)CCO1 ZINC000190978888 357735340 /nfs/dbraw/zinc/73/53/40/357735340.db2.gz FTMBEVDAQDGOPQ-XQQFMLRXSA-N 0 1 227.348 2.055 20 0 BEADMN CC[C@H](C)N(C)Cc1cn(C(C)(C)C)nn1 ZINC000191233463 357758560 /nfs/dbraw/zinc/75/85/60/357758560.db2.gz RIVASYUECTYUQI-JTQLQIEISA-N 0 1 224.352 2.263 20 0 BEADMN CC1(C)CN(CCCO)[C@@H]1c1ccco1 ZINC000639924701 357800562 /nfs/dbraw/zinc/80/05/62/357800562.db2.gz DGIQPJXAWNCAAR-LLVKDONJSA-N 0 1 209.289 2.045 20 0 BEADMN CCCC(CCC)NCc1nc(N(C)C)no1 ZINC000191899113 357803500 /nfs/dbraw/zinc/80/35/00/357803500.db2.gz GHNIGTFRCQTTQO-UHFFFAOYSA-N 0 1 240.351 2.194 20 0 BEADMN C[C@@H](c1nnnn1C1CC1)N1C[C@H](C)C[C@H](C)C1 ZINC000191908534 357804238 /nfs/dbraw/zinc/80/42/38/357804238.db2.gz JNUJMSIWNAGURJ-AXFHLTTASA-N 0 1 249.362 2.047 20 0 BEADMN C[C@H](C1CC1)N(Cc1ncccn1)C1CC1 ZINC000191941955 357806156 /nfs/dbraw/zinc/80/61/56/357806156.db2.gz INOFGUJBURXZQI-SNVBAGLBSA-N 0 1 217.316 2.240 20 0 BEADMN CC(C)C[C@@H]1CCN(Cc2ncccn2)C1 ZINC000192051298 357814806 /nfs/dbraw/zinc/81/48/06/357814806.db2.gz LCIHGDOEYBHKHF-LBPRGKRZSA-N 0 1 219.332 2.345 20 0 BEADMN CCC[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000192069376 357817179 /nfs/dbraw/zinc/81/71/79/357817179.db2.gz INFGVMKMNZDASA-GFCCVEGCSA-N 0 1 219.332 2.489 20 0 BEADMN CC[C@H](C)CN1Cc2ccccc2NC(=O)C1 ZINC000583271329 357788994 /nfs/dbraw/zinc/78/89/94/357788994.db2.gz BGHRJWKYANLYDM-NSHDSACASA-N 0 1 232.327 2.487 20 0 BEADMN CCn1ccnc1CNC1(C2(C)CC2)CC1 ZINC000398141178 357848860 /nfs/dbraw/zinc/84/88/60/357848860.db2.gz QXBXLAJSLIDZCH-UHFFFAOYSA-N 0 1 219.332 2.325 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)[C@@H]1C(=O)[O-] ZINC000235323792 357865108 /nfs/dbraw/zinc/86/51/08/357865108.db2.gz COXIIEYQADXTMC-MFKMUULPSA-N 0 1 249.310 2.077 20 0 BEADMN C[C@@H](NCC1(CO)CCCC1)c1nccs1 ZINC000168567219 134226730 /nfs/dbraw/zinc/22/67/30/134226730.db2.gz UVIBRYQRWVVTDG-SNVBAGLBSA-N 0 1 240.372 2.346 20 0 BEADMN COc1ncccc1C[N@@H+](C)C1CCCC1 ZINC000193299428 357873405 /nfs/dbraw/zinc/87/34/05/357873405.db2.gz BWZDVDUSDLXJOI-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CC(F)(F)CN[C@@H]1CCOC2(CCC2)C1 ZINC000583303185 357889195 /nfs/dbraw/zinc/88/91/95/357889195.db2.gz AAWHNIRFMJQDGX-SECBINFHSA-N 0 1 219.275 2.333 20 0 BEADMN Cc1nc(CN2CC(C)(C)[C@@H]2c2ccco2)n[nH]1 ZINC000639929879 357898935 /nfs/dbraw/zinc/89/89/35/357898935.db2.gz RLEVEOPVBZZLKH-LBPRGKRZSA-N 0 1 246.314 2.289 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000399283655 357901176 /nfs/dbraw/zinc/90/11/76/357901176.db2.gz CGEVQMCTOVWYQG-AWEZNQCLSA-N 0 1 248.326 2.402 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CC)C1 ZINC000399358424 357904328 /nfs/dbraw/zinc/90/43/28/357904328.db2.gz FEMQVCOLUACBIR-ZYHUDNBSSA-N 0 1 213.321 2.362 20 0 BEADMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000133390782 325292326 /nfs/dbraw/zinc/29/23/26/325292326.db2.gz OGMCOJTYWGFWAO-NSHDSACASA-N 0 1 235.331 2.451 20 0 BEADMN CCCc1csc(CN[C@H]2CO[C@@H](C)C2)n1 ZINC000583752631 357935058 /nfs/dbraw/zinc/93/50/58/357935058.db2.gz ULGJUJLXDINARJ-GXSJLCMTSA-N 0 1 240.372 2.363 20 0 BEADMN CCc1noc(CN2CCC[C@H]2C2CCC2)n1 ZINC000102927148 357949410 /nfs/dbraw/zinc/94/94/10/357949410.db2.gz ZGODKCFZAODWMX-NSHDSACASA-N 0 1 235.331 2.397 20 0 BEADMN COc1ccc(C)cc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941442 357952975 /nfs/dbraw/zinc/95/29/75/357952975.db2.gz XDDGUXBTGSLCKV-TZMCWYRMSA-N 0 1 249.354 2.349 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1ccccn1 ZINC000631263865 357976357 /nfs/dbraw/zinc/97/63/57/357976357.db2.gz VFYJRZAOOAVMKN-RKDXNWHRSA-N 0 1 216.206 2.122 20 0 BEADMN CC[N@H+](Cc1occc1C(=O)[O-])CC(C)C ZINC000035433043 357992292 /nfs/dbraw/zinc/99/22/92/357992292.db2.gz ZLCACCGWNOLBMU-UHFFFAOYSA-N 0 1 225.288 2.456 20 0 BEADMN CSc1nc(=O)n(C[C@H]2CCCC[C@H]2C)[nH]1 ZINC000584480969 357996654 /nfs/dbraw/zinc/99/66/54/357996654.db2.gz UTBNYUJZLPDBSF-RKDXNWHRSA-N 0 1 241.360 2.120 20 0 BEADMN Cc1ncc([C@H](C)NCc2cccnc2N)s1 ZINC000639996889 358035381 /nfs/dbraw/zinc/03/53/81/358035381.db2.gz SBQUHRHJDNTFDM-QMMMGPOBSA-N 0 1 248.355 2.280 20 0 BEADMN Cc1n[nH]cc1CN(C)C[C@H]1CCC(C)(C)O1 ZINC000639970176 358022801 /nfs/dbraw/zinc/02/28/01/358022801.db2.gz DIOOSEJFLXFRGX-GFCCVEGCSA-N 0 1 237.347 2.108 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCF ZINC000220439836 358041084 /nfs/dbraw/zinc/04/10/84/358041084.db2.gz NLBOIHVSMYDICU-VWYCJHECSA-N 0 1 229.295 2.064 20 0 BEADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCF ZINC000220439774 358041167 /nfs/dbraw/zinc/04/11/67/358041167.db2.gz NLBOIHVSMYDICU-DCAQKATOSA-N 0 1 229.295 2.064 20 0 BEADMN CC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000036812827 358052933 /nfs/dbraw/zinc/05/29/33/358052933.db2.gz IAHXKHGCBQSAJL-UHFFFAOYSA-N 0 1 223.272 2.271 20 0 BEADMN C[C@@H](NCc1ncc[nH]1)[C@H]1COc2ccccc21 ZINC000169105912 134249715 /nfs/dbraw/zinc/24/97/15/134249715.db2.gz IXQMMQFRXVBSDR-ZYHUDNBSSA-N 0 1 243.310 2.064 20 0 BEADMN CC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])o1 ZINC000037110560 358066107 /nfs/dbraw/zinc/06/61/07/358066107.db2.gz KWOJVZXYSMVLMF-MRVPVSSYSA-N 0 1 211.261 2.208 20 0 BEADMN CC[C@H](C)[N@@H+](C)Cc1ccoc1C(=O)[O-] ZINC000037110541 358066398 /nfs/dbraw/zinc/06/63/98/358066398.db2.gz NLVNZPQSVPZGMN-QMMMGPOBSA-N 0 1 211.261 2.208 20 0 BEADMN C[C@]1(CNCc2csnn2)C[C@H]2C[C@H]2C1 ZINC000628460329 358087961 /nfs/dbraw/zinc/08/79/61/358087961.db2.gz QXLOAGRSFVPVSW-JZYVYDRUSA-N 0 1 223.345 2.064 20 0 BEADMN Cc1cc(C[N@@H+]2CCC[C@H]2C)oc1C(=O)[O-] ZINC000037911381 358097519 /nfs/dbraw/zinc/09/75/19/358097519.db2.gz IRXCHRRNKNIMJO-SECBINFHSA-N 0 1 223.272 2.271 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccc2ncccc2c1 ZINC000037932875 358098003 /nfs/dbraw/zinc/09/80/03/358098003.db2.gz VAHVZKCLOYWBRD-UHFFFAOYSA-N 0 1 244.294 2.141 20 0 BEADMN C[N@H+](Cc1cccc(C(=O)[O-])c1)CC1CC1 ZINC000037925792 358098024 /nfs/dbraw/zinc/09/80/24/358098024.db2.gz NTJUIULETFDZFX-UHFFFAOYSA-N 0 1 219.284 2.227 20 0 BEADMN COC(=O)CCN(Cc1ccc(C)o1)C1CC1 ZINC000051966338 358105473 /nfs/dbraw/zinc/10/54/73/358105473.db2.gz WPFRXDSAZGRZLB-UHFFFAOYSA-N 0 1 237.299 2.116 20 0 BEADMN CC[C@@]1(O)CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000640035179 358123197 /nfs/dbraw/zinc/12/31/97/358123197.db2.gz GWTWTWNOOPLLBE-WCQYABFASA-N 0 1 238.331 2.281 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N1CCC(C)(F)CC1 ZINC000640070553 358156544 /nfs/dbraw/zinc/15/65/44/358156544.db2.gz LFIDXIRWSZPNNN-JTQLQIEISA-N 0 1 244.354 2.114 20 0 BEADMN CC(C)c1nc(CN2CCC(C)(F)CC2)n[nH]1 ZINC000640071682 358162640 /nfs/dbraw/zinc/16/26/40/358162640.db2.gz QOYPQEGXRALGPH-UHFFFAOYSA-N 0 1 240.326 2.252 20 0 BEADMN C[C@H](c1cnccn1)N1CCC(C)(F)CC1 ZINC000640071668 358162798 /nfs/dbraw/zinc/16/27/98/358162798.db2.gz QCFWIHBIRXZKEA-SNVBAGLBSA-N 0 1 223.295 2.362 20 0 BEADMN CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000584724639 358166353 /nfs/dbraw/zinc/16/63/53/358166353.db2.gz GTKSFJOLGHEFAS-CKYFFXLPSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1CCN(Cc2cn(CC3CC3)nn2)C[C@@H]1C ZINC000450648822 202225248 /nfs/dbraw/zinc/22/52/48/202225248.db2.gz YQQFQVYJHFOMEP-NEPJUHHUSA-N 0 1 248.374 2.166 20 0 BEADMN C[C@H](O)CCSc1nc(-c2ccccc2)n[nH]1 ZINC000450678897 202233027 /nfs/dbraw/zinc/23/30/27/202233027.db2.gz JACXLFZSLQMDCI-VIFPVBQESA-N 0 1 249.339 2.335 20 0 BEADMN Cc1oc(C[N@@H+]2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000040718701 358245577 /nfs/dbraw/zinc/24/55/77/358245577.db2.gz IZRDTGPSRXLFGI-QMMMGPOBSA-N 0 1 223.272 2.128 20 0 BEADMN C[C@@H](CO)[C@@H](C)NCc1cc(C(C)(C)C)on1 ZINC000450740762 202250350 /nfs/dbraw/zinc/25/03/50/202250350.db2.gz WKTUAVFFAZJCKE-VHSXEESVSA-N 0 1 240.347 2.079 20 0 BEADMN CC(C)C[N@@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000041874221 358336965 /nfs/dbraw/zinc/33/69/65/358336965.db2.gz LNKXDWMYKHBHEV-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CCc1cc(CNC2CC(OC(C)C)C2)on1 ZINC000547656900 325380324 /nfs/dbraw/zinc/38/03/24/325380324.db2.gz RZFFMWGILSNKMA-UHFFFAOYSA-N 0 1 238.331 2.283 20 0 BEADMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC1CCCC1 ZINC000229222803 358368424 /nfs/dbraw/zinc/36/84/24/358368424.db2.gz AWOKYJWXFDITAJ-AGIUHOORSA-N 0 1 237.343 2.362 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229296866 358375553 /nfs/dbraw/zinc/37/55/53/358375553.db2.gz WJWSBRBKOHVWAZ-HBNTYKKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000227580834 358360349 /nfs/dbraw/zinc/36/03/49/358360349.db2.gz YMSMEWDMQJJPJV-DGCLKSJQSA-N 0 1 233.311 2.290 20 0 BEADMN CCN(CCCO)Cc1ccc(OC)cc1F ZINC000228635015 358382347 /nfs/dbraw/zinc/38/23/47/358382347.db2.gz RLUJUSNLGVQVJH-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831952 358364658 /nfs/dbraw/zinc/36/46/58/358364658.db2.gz CPGKFSNPFLFJJY-RISCZKNCSA-N 0 1 248.326 2.329 20 0 BEADMN Cc1nnc(C[N@@H+]2CC[C@@H](CC(C)C)C2)o1 ZINC000173905613 134278278 /nfs/dbraw/zinc/27/82/78/134278278.db2.gz HBKDAJZGZPTSPA-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN Cc1nnc(CN2CC[C@@H](CC(C)C)C2)o1 ZINC000173905613 134278279 /nfs/dbraw/zinc/27/82/79/134278279.db2.gz HBKDAJZGZPTSPA-NSHDSACASA-N 0 1 223.320 2.246 20 0 BEADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC1CC1 ZINC000043594318 358383370 /nfs/dbraw/zinc/38/33/70/358383370.db2.gz FQKJWUATYDLJKC-ZDUSSCGKSA-N 0 1 231.295 2.080 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000180404952 366448193 /nfs/dbraw/zinc/44/81/93/366448193.db2.gz RBUSSFJTUSDBSI-UWVGGRQHSA-N 0 1 234.347 2.160 20 0 BEADMN Cc1nc(CN[C@@H]2CCS[C@@H]2C)cs1 ZINC000220560810 491133305 /nfs/dbraw/zinc/13/33/05/491133305.db2.gz ZVSGZCVUBBBBCY-GMSGAONNSA-N 0 1 228.386 2.435 20 0 BEADMN CCN(CC(=O)Nc1cccc(F)c1)C1CC1 ZINC000045770795 358565317 /nfs/dbraw/zinc/56/53/17/358565317.db2.gz PRBFYGPEASDOEB-UHFFFAOYSA-N 0 1 236.290 2.249 20 0 BEADMN CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(=O)[O-] ZINC000130152035 358610536 /nfs/dbraw/zinc/61/05/36/358610536.db2.gz QDZOWBPYERPDOP-LLVKDONJSA-N 0 1 243.253 2.432 20 0 BEADMN CC(C)N1CCN(C(=O)CCC2CCC2)CC1 ZINC000175930048 134288790 /nfs/dbraw/zinc/28/87/90/134288790.db2.gz HXEYFBBEGDHXLF-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1coc2ccccc12 ZINC000131056922 358658903 /nfs/dbraw/zinc/65/89/03/358658903.db2.gz RMXACJIJWHDMBX-SECBINFHSA-N 0 1 233.267 2.338 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(Cl)cn1 ZINC000049480513 358691004 /nfs/dbraw/zinc/69/10/04/358691004.db2.gz URFMFFVGDPBVDJ-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN CCN(Cc1c(C)n[nH]c1C)C[C@H]1CCCO1 ZINC000131790429 358692717 /nfs/dbraw/zinc/69/27/17/358692717.db2.gz PLMNBVDPTGTSIZ-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN COc1cccc(Cl)c1CN[C@@H]1CCOC1 ZINC000133904949 358771867 /nfs/dbraw/zinc/77/18/67/358771867.db2.gz VCHNLWUBNIXJJC-SECBINFHSA-N 0 1 241.718 2.227 20 0 BEADMN C[N@@H+](Cc1ccoc1C(=O)[O-])[C@H]1CC1(C)C ZINC000578242047 366467814 /nfs/dbraw/zinc/46/78/14/366467814.db2.gz HIBQXAVHZNPDTB-VIFPVBQESA-N 0 1 223.272 2.208 20 0 BEADMN C[C@@H](NC(=O)CN(C)C)[C@H](C)C1CCCCC1 ZINC000176680520 134293454 /nfs/dbraw/zinc/29/34/54/134293454.db2.gz VXPKDNDGNAWVMX-NWDGAFQWSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)C[C@H](C)NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052881490 358798869 /nfs/dbraw/zinc/79/88/69/358798869.db2.gz PRBZLMXDKKOWSR-WFASDCNBSA-N 0 1 248.370 2.411 20 0 BEADMN c1ccc(CN2CCOC3(CCOCC3)C2)cc1 ZINC000135598903 358845616 /nfs/dbraw/zinc/84/56/16/358845616.db2.gz KTPRVEBDMXAXCF-UHFFFAOYSA-N 0 1 247.338 2.068 20 0 BEADMN CSC[C@H]1CCC[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000578329410 366519791 /nfs/dbraw/zinc/51/97/91/366519791.db2.gz BSUGKJYHKXPTBV-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN Cn1cnnc1CN1CC[C@]1(C)C1CCCCC1 ZINC000640220699 358895118 /nfs/dbraw/zinc/89/51/18/358895118.db2.gz WMCHOPZVVBSLOR-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)C12CCC2 ZINC000138993726 358909681 /nfs/dbraw/zinc/90/96/81/358909681.db2.gz AIMUMLSQDLLNAU-QJPTWQEYSA-N 0 1 249.358 2.408 20 0 BEADMN Cc1cc(NC(=O)c2ncccc2O)ccc1F ZINC000061120422 358932169 /nfs/dbraw/zinc/93/21/69/358932169.db2.gz RAXRYFWYTGERRX-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000061363242 358932968 /nfs/dbraw/zinc/93/29/68/358932968.db2.gz NXXLTBOMBCZKLW-VHSXEESVSA-N 0 1 240.372 2.312 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H]2C(F)F)n[nH]1 ZINC000633231866 358951479 /nfs/dbraw/zinc/95/14/79/358951479.db2.gz VINDLZOIJFADGJ-VIFPVBQESA-N 0 1 243.257 2.013 20 0 BEADMN C[C@@H](N[C@@H]1CCOC1)c1cc(F)ccc1F ZINC000070965776 359068025 /nfs/dbraw/zinc/06/80/25/359068025.db2.gz FBRROKBQETXADF-PSASIEDQSA-N 0 1 227.254 2.404 20 0 BEADMN CCN(CC)CC(=O)Nc1cc(Cl)ccn1 ZINC000072574044 359087594 /nfs/dbraw/zinc/08/75/94/359087594.db2.gz ZVFOXDGTSMFITC-UHFFFAOYSA-N 0 1 241.722 2.015 20 0 BEADMN C[C@@H]1CCCN1Cc1cn2ccsc2n1 ZINC000072875050 359090540 /nfs/dbraw/zinc/09/05/40/359090540.db2.gz NMHSEEKWQHVXBU-SECBINFHSA-N 0 1 221.329 2.380 20 0 BEADMN C[C@@H](NCCOC1CCCC1)c1cnccn1 ZINC000070479717 359057051 /nfs/dbraw/zinc/05/70/51/359057051.db2.gz DWPPTQYVDFYZFA-LLVKDONJSA-N 0 1 235.331 2.086 20 0 BEADMN CC(C)N(Cc1ccccc1)C(=O)c1cnc[nH]1 ZINC000074674017 359124173 /nfs/dbraw/zinc/12/41/73/359124173.db2.gz DQQJAWAYIHCRBY-UHFFFAOYSA-N 0 1 243.310 2.461 20 0 BEADMN CO[C@@H]1CC[C@@H]2OCCN(CC=C(C)C)[C@@H]2C1 ZINC000246922951 359175883 /nfs/dbraw/zinc/17/58/83/359175883.db2.gz RVSXOOBHTPBZBR-MCIONIFRSA-N 0 1 239.359 2.221 20 0 BEADMN C[C@@H]1CCCN(Cc2cn3cccnc3n2)[C@H]1C ZINC000246942536 359175973 /nfs/dbraw/zinc/17/59/73/359175973.db2.gz QUWRYJNPKPEBIN-NEPJUHHUSA-N 0 1 244.342 2.350 20 0 BEADMN Cc1ncsc1CCN1CCO[C@H](C)[C@H]1C ZINC000248200184 359259067 /nfs/dbraw/zinc/25/90/67/359259067.db2.gz YKKXAFSFAQUKBP-GHMZBOCLSA-N 0 1 240.372 2.103 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000247737548 359243387 /nfs/dbraw/zinc/24/33/87/359243387.db2.gz VRPXKROZAPNDBK-MWLCHTKSSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000247737548 359243392 /nfs/dbraw/zinc/24/33/92/359243392.db2.gz VRPXKROZAPNDBK-MWLCHTKSSA-N 0 1 235.331 2.284 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H]3CCC[C@H]3C2)o1 ZINC000247299081 359210213 /nfs/dbraw/zinc/21/02/13/359210213.db2.gz LHPXSRFTYLZXDR-LSJOCFKGSA-N 0 1 221.304 2.171 20 0 BEADMN C[C@H]1CN(Cc2ccccc2N(C)C)[C@@H](C)CO1 ZINC000247346089 359214686 /nfs/dbraw/zinc/21/46/86/359214686.db2.gz ZCBJVTZKBZCMDQ-STQMWFEESA-N 0 1 248.370 2.362 20 0 BEADMN CCc1nc(CN[C@@H](CC)C(C)(C)O)cs1 ZINC000292858844 359307446 /nfs/dbraw/zinc/30/74/46/359307446.db2.gz ALWBHYVKTWYKAH-JTQLQIEISA-N 0 1 242.388 2.345 20 0 BEADMN COCC1(NCc2ccncc2Cl)CC1 ZINC000623452110 359349576 /nfs/dbraw/zinc/34/95/76/359349576.db2.gz XSJBTQRLVRJISG-UHFFFAOYSA-N 0 1 226.707 2.004 20 0 BEADMN COC(=O)[C@H]1CCCCCN1CC=C(C)C ZINC000611574584 359396910 /nfs/dbraw/zinc/39/69/10/359396910.db2.gz BYNUSDLQHWFHJR-GFCCVEGCSA-N 0 1 225.332 2.370 20 0 BEADMN Cc1nc([C@H]2CCCN2CC[C@@H](C)O)cs1 ZINC000450779523 202264247 /nfs/dbraw/zinc/26/42/47/202264247.db2.gz OVVKQRZGAAHTCQ-BXKDBHETSA-N 0 1 240.372 2.359 20 0 BEADMN CCc1noc(CN[C@@H](C)[C@H](C)CC)n1 ZINC000308935554 491140693 /nfs/dbraw/zinc/14/06/93/491140693.db2.gz KSYPDMNQINOVBL-BDAKNGLRSA-N 0 1 211.309 2.156 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000086803009 359484759 /nfs/dbraw/zinc/48/47/59/359484759.db2.gz ZAIQBKGBNGFCCJ-LBPRGKRZSA-N 0 1 239.290 2.429 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC000580440898 359550436 /nfs/dbraw/zinc/55/04/36/359550436.db2.gz VJPXZDKVRJRXBN-DOMZBBRYSA-N 0 1 247.338 2.272 20 0 BEADMN CCn1ccnc1CNCC1=CCCCC1 ZINC000379587557 359561903 /nfs/dbraw/zinc/56/19/03/359561903.db2.gz MLHASHSVRWGIOS-UHFFFAOYSA-N 0 1 219.332 2.493 20 0 BEADMN CCc1c(C)[nH]n(-c2cccc(OC)c2)c1=O ZINC000160981512 359626456 /nfs/dbraw/zinc/62/64/56/359626456.db2.gz LFBXSQFZLLMKHK-LBPRGKRZSA-N 0 1 232.283 2.444 20 0 BEADMN COCCN(Cc1cc[nH]n1)[C@@H]1CCC[C@H]1C ZINC000450852668 202290112 /nfs/dbraw/zinc/29/01/12/202290112.db2.gz ZRSLQGQIHQHGOA-DGCLKSJQSA-N 0 1 237.347 2.047 20 0 BEADMN CN(C)C1(C(=O)NCC2(C)CCCCC2)CC1 ZINC000612290351 359771532 /nfs/dbraw/zinc/77/15/32/359771532.db2.gz JTCZSHWZBWVZHH-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN COC(=O)C1(CN2Cc3ccc(C)cc3C2)CC1 ZINC000450891532 202300652 /nfs/dbraw/zinc/30/06/52/202300652.db2.gz ARVBATGNSUQZSI-UHFFFAOYSA-N 0 1 245.322 2.264 20 0 BEADMN c1n[nH]nc1SCC12CCC(CC1)C2 ZINC000450867093 202293917 /nfs/dbraw/zinc/29/39/17/202293917.db2.gz XXICWUBFCDBMAP-UHFFFAOYSA-N 0 1 209.318 2.477 20 0 BEADMN C[C@@H](C[N@H+]1CCCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000578447784 366570798 /nfs/dbraw/zinc/57/07/98/366570798.db2.gz VAOWCPMZCLAVMY-YUMQZZPRSA-N 0 1 239.237 2.124 20 0 BEADMN C[C@H](C[N@H+]1CCCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000578447783 366571280 /nfs/dbraw/zinc/57/12/80/366571280.db2.gz VAOWCPMZCLAVMY-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CC(C)OC(=O)CCN1CCC[C@@](C)(F)C1 ZINC000451116845 202354571 /nfs/dbraw/zinc/35/45/71/202354571.db2.gz SPZAOEPIOJLAEL-GFCCVEGCSA-N 0 1 231.311 2.152 20 0 BEADMN CC(C)CC[N@@H+](CC1(C(=O)[O-])CC1)C1CC1 ZINC000578540767 366586213 /nfs/dbraw/zinc/58/62/13/366586213.db2.gz JVZWYYMMGZUOSW-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN COc1ccc(CCN2CC[C@H](F)C2)cc1 ZINC000451183296 202373945 /nfs/dbraw/zinc/37/39/45/202373945.db2.gz IRALKAJPVVDIKI-LBPRGKRZSA-N 0 1 223.291 2.282 20 0 BEADMN F[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000451193379 202376310 /nfs/dbraw/zinc/37/63/10/202376310.db2.gz JOHCTYGEYLSMMG-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN CN(CCN1CC[C@H](F)C1)c1ccccc1 ZINC000451194625 202376854 /nfs/dbraw/zinc/37/68/54/202376854.db2.gz WGLDCEHCGITVGS-LBPRGKRZSA-N 0 1 222.307 2.167 20 0 BEADMN CO[C@@H](Cc1ccccc1)CN1CC[C@H](F)C1 ZINC000451190939 202377221 /nfs/dbraw/zinc/37/72/21/202377221.db2.gz GZIMTHVKMOWRHY-KBPBESRZSA-N 0 1 237.318 2.288 20 0 BEADMN CC(=O)c1cccc(CN(C)CC(C)(C)CO)c1 ZINC000451249752 202386466 /nfs/dbraw/zinc/38/64/66/202386466.db2.gz FHNWTZMPYVTKQF-UHFFFAOYSA-N 0 1 249.354 2.340 20 0 BEADMN CC[N@@H+](CCCOc1ccccc1)C1COC1 ZINC000451283383 202395668 /nfs/dbraw/zinc/39/56/68/202395668.db2.gz HHNYQLHBHZNKQH-UHFFFAOYSA-N 0 1 235.327 2.176 20 0 BEADMN CCN(CCCOc1ccccc1)C1COC1 ZINC000451283383 202395671 /nfs/dbraw/zinc/39/56/71/202395671.db2.gz HHNYQLHBHZNKQH-UHFFFAOYSA-N 0 1 235.327 2.176 20 0 BEADMN CCc1cccc(CN(CC)C2COC2)c1 ZINC000451288176 202395993 /nfs/dbraw/zinc/39/59/93/202395993.db2.gz RUZGSRUAVORQDI-UHFFFAOYSA-N 0 1 219.328 2.470 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CC(=O)N1CCNC[C@H]1C ZINC000578650013 366619061 /nfs/dbraw/zinc/61/90/61/366619061.db2.gz ZYTYKLIMMCZGBT-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H](c1nccc(N)n1)N1CC[C@H](CC2CC2)C1 ZINC000578664227 366622993 /nfs/dbraw/zinc/62/29/93/366622993.db2.gz GNUHNWIQZPKOFC-CMPLNLGQSA-N 0 1 246.358 2.072 20 0 BEADMN CCc1nnc(CNC2(CC)CCCC2)o1 ZINC000451271837 202390856 /nfs/dbraw/zinc/39/08/56/202390856.db2.gz FFPKWDJCBPXRIV-UHFFFAOYSA-N 0 1 223.320 2.444 20 0 BEADMN CCC1(NCc2nc(COC)no2)CCCC1 ZINC000451271861 202392345 /nfs/dbraw/zinc/39/23/45/202392345.db2.gz FJWAWFDOYSEBOY-UHFFFAOYSA-N 0 1 239.319 2.028 20 0 BEADMN CC(C)[C@@H]1CC[C@@H]1NCc1ncccn1 ZINC000578644324 366612856 /nfs/dbraw/zinc/61/28/56/366612856.db2.gz VXSQJSFZDCQBKR-QWRGUYRKSA-N 0 1 205.305 2.001 20 0 BEADMN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)C1CC1 ZINC000578899690 366671226 /nfs/dbraw/zinc/67/12/26/366671226.db2.gz YMNAABFFNQOWDY-UHFFFAOYSA-N 0 1 223.272 2.134 20 0 BEADMN Cc1ccc(C(=O)NCc2cnc[nH]2)cc1Cl ZINC000088753449 359975535 /nfs/dbraw/zinc/97/55/35/359975535.db2.gz JSIQWVPOGCZADD-UHFFFAOYSA-N 0 1 249.701 2.302 20 0 BEADMN CCc1nc(SCC(=O)[C@H](C)CC)n[nH]1 ZINC000089679397 360033947 /nfs/dbraw/zinc/03/39/47/360033947.db2.gz KLUPPRCVOWQZQB-SSDOTTSWSA-N 0 1 227.333 2.074 20 0 BEADMN CCc1n[nH]c(SCC(=O)[C@H](C)CC)n1 ZINC000089679397 360033952 /nfs/dbraw/zinc/03/39/52/360033952.db2.gz KLUPPRCVOWQZQB-SSDOTTSWSA-N 0 1 227.333 2.074 20 0 BEADMN CCn1nc(CN[C@H](C)COC)c2ccccc21 ZINC000089173922 359997150 /nfs/dbraw/zinc/99/71/50/359997150.db2.gz SBARVEZPRAFJSO-LLVKDONJSA-N 0 1 247.342 2.181 20 0 BEADMN Cc1cc(CNCc2ccccc2C)n(C)n1 ZINC000089182806 359997806 /nfs/dbraw/zinc/99/78/06/359997806.db2.gz WUDYQSGLHXELDH-UHFFFAOYSA-N 0 1 229.327 2.327 20 0 BEADMN CC(C)[C@H]1CCCC[C@H]1NCc1ncn(C)n1 ZINC000090969299 360094761 /nfs/dbraw/zinc/09/47/61/360094761.db2.gz IGMJQBYKSRIFFR-VXGBXAGGSA-N 0 1 236.363 2.120 20 0 BEADMN CC[C@@H](C)C[C@@H](CC)NCc1ncn(C)n1 ZINC000090970164 360094932 /nfs/dbraw/zinc/09/49/32/360094932.db2.gz CRSHZQGRZPNZPN-GHMZBOCLSA-N 0 1 224.352 2.120 20 0 BEADMN CC[C@H](C[C@@H](C)CC)NCc1ncn(C)n1 ZINC000090970165 360094950 /nfs/dbraw/zinc/09/49/50/360094950.db2.gz CRSHZQGRZPNZPN-WDEREUQCSA-N 0 1 224.352 2.120 20 0 BEADMN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090970025 360095093 /nfs/dbraw/zinc/09/50/93/360095093.db2.gz QEMNTCWJRSMAGQ-TUAOUCFPSA-N 0 1 236.363 2.120 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ncn(C)n1 ZINC000090969276 360095124 /nfs/dbraw/zinc/09/51/24/360095124.db2.gz NKVXAAOMQCAINR-MNOVXSKESA-N 0 1 236.363 2.120 20 0 BEADMN Clc1cscc1CN[C@@H]1CCOC1 ZINC000306461365 360071274 /nfs/dbraw/zinc/07/12/74/360071274.db2.gz GFLKHZDWBXLCFT-MRVPVSSYSA-N 0 1 217.721 2.280 20 0 BEADMN Cc1ncsc1CNCC(C)(C)F ZINC000631188558 360125215 /nfs/dbraw/zinc/12/52/15/360125215.db2.gz CMHWHFGWXMSHEM-UHFFFAOYSA-N 0 1 202.298 2.289 20 0 BEADMN CC(C)CO[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000091964620 360138590 /nfs/dbraw/zinc/13/85/90/360138590.db2.gz TWIUIXLRVJKTJJ-AWEZNQCLSA-N 0 1 239.359 2.080 20 0 BEADMN CCn1cc(CN2C[C@H](C)S[C@@H](C)C2)cn1 ZINC000092540458 360177973 /nfs/dbraw/zinc/17/79/73/360177973.db2.gz RXUPVBUEMXFEAH-QWRGUYRKSA-N 0 1 239.388 2.229 20 0 BEADMN c1nc(CN2CC[C@@H](Nc3ccccc3)C2)c[nH]1 ZINC000092757941 360195114 /nfs/dbraw/zinc/19/51/14/360195114.db2.gz WXZUUJXUUIAZFM-CYBMUJFWSA-N 0 1 242.326 2.096 20 0 BEADMN c1coc(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000093690536 360272202 /nfs/dbraw/zinc/27/22/02/360272202.db2.gz LMFXWFYPXFPORZ-AWEZNQCLSA-N 0 1 244.294 2.328 20 0 BEADMN CN(C(=O)c1ccc(CN)o1)C1CCCCC1 ZINC000094563749 360312825 /nfs/dbraw/zinc/31/28/25/360312825.db2.gz XPWBUSBXXPPESH-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN NCc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000094572754 360313159 /nfs/dbraw/zinc/31/31/59/360313159.db2.gz LMXMMVBZTIPFEX-JQWIXIFHSA-N 0 1 248.326 2.143 20 0 BEADMN CC(C)c1cccc(C(=O)N2CC(N(C)C)C2)c1 ZINC000613118858 360374656 /nfs/dbraw/zinc/37/46/56/360374656.db2.gz XCBVSZYZOPJUHN-UHFFFAOYSA-N 0 1 246.354 2.196 20 0 BEADMN Cn1cc(CNCC(C)(C)F)c(C(F)F)n1 ZINC000631189288 360377784 /nfs/dbraw/zinc/37/77/84/360377784.db2.gz SAQLGCZCVBMFJW-UHFFFAOYSA-N 0 1 235.253 2.195 20 0 BEADMN CC(C)Oc1ncccc1CNC1CSC1 ZINC000309423098 491148992 /nfs/dbraw/zinc/14/89/92/491148992.db2.gz AJIQQSNLVZEGGP-UHFFFAOYSA-N 0 1 238.356 2.074 20 0 BEADMN C[C@H](N[C@H]1CCOC(C)(C)C1)C(F)F ZINC000228519645 360478549 /nfs/dbraw/zinc/47/85/49/360478549.db2.gz PSVKHVVBIUAIAM-YUMQZZPRSA-N 0 1 207.264 2.187 20 0 BEADMN CC(C)n1ncnc1CN[C@H]1CCCC12CC2 ZINC000631193564 360599562 /nfs/dbraw/zinc/59/95/62/360599562.db2.gz QJEHLHXZYOUPHZ-NSHDSACASA-N 0 1 234.347 2.281 20 0 BEADMN Cc1nnc(CN(C)C2CCC(C)CC2)o1 ZINC000061799152 360681553 /nfs/dbraw/zinc/68/15/53/360681553.db2.gz OJYUTBRUAFJOFL-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN CC(C)(C)OC(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000152650756 360751014 /nfs/dbraw/zinc/75/10/14/360751014.db2.gz UBXPWPKCFOEIMK-GHMZBOCLSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)c1cnc(CN[C@H]2C[C@@H](CO)C2)s1 ZINC000631198980 360760400 /nfs/dbraw/zinc/76/04/00/360760400.db2.gz XHFFUXOAXZPGCN-AOOOYVTPSA-N 0 1 240.372 2.127 20 0 BEADMN C/C=C\CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000629039246 360828614 /nfs/dbraw/zinc/82/86/14/360828614.db2.gz NNNCRSCYESYOLL-WAYWQWQTSA-N 0 1 221.304 2.147 20 0 BEADMN C/C=C\CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000629039478 360829720 /nfs/dbraw/zinc/82/97/20/360829720.db2.gz STZDHNNWEWHXQM-ARJAWSKDSA-N 0 1 247.220 2.043 20 0 BEADMN CCCN1C(=O)N=NC1SC[C@@H]1C[C@H]1C ZINC000629096740 360876480 /nfs/dbraw/zinc/87/64/80/360876480.db2.gz TVPAVEYFTVFKGD-SFYZADRCSA-N 0 1 227.333 2.142 20 0 BEADMN C[C@@H]1CCCC[C@H]1Sc1nc(N)cc(N)n1 ZINC000629096200 360877562 /nfs/dbraw/zinc/87/75/62/360877562.db2.gz MOBBUSLSSLJHSV-HTQZYQBOSA-N 0 1 238.360 2.142 20 0 BEADMN O=C(CSc1nc(C2CC2)n[nH]1)c1ccoc1 ZINC000629113532 360882618 /nfs/dbraw/zinc/88/26/18/360882618.db2.gz PLGZPXFMOPUEES-UHFFFAOYSA-N 0 1 249.295 2.250 20 0 BEADMN O=C(CSc1n[nH]c(C2CC2)n1)c1ccoc1 ZINC000629113532 360882622 /nfs/dbraw/zinc/88/26/22/360882622.db2.gz PLGZPXFMOPUEES-UHFFFAOYSA-N 0 1 249.295 2.250 20 0 BEADMN CCC[C@@H](C)CCC[N@@H+](C)CC(=O)[O-] ZINC000629360066 361005115 /nfs/dbraw/zinc/00/51/15/361005115.db2.gz HFCSALBUULAXPP-SNVBAGLBSA-N 0 1 201.310 2.219 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000629364040 361006844 /nfs/dbraw/zinc/00/68/44/361006844.db2.gz KHUCXUXPZIKAFN-MNOVXSKESA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000629361051 361010038 /nfs/dbraw/zinc/01/00/38/361010038.db2.gz BVBDWQPKXLHXLW-NMKXLXIOSA-N 0 1 237.343 2.219 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CC1CC(C)(C)C1 ZINC000629362256 361012106 /nfs/dbraw/zinc/01/21/06/361012106.db2.gz RANGECSRRJVXOX-SNVBAGLBSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](CN(C)C[C@H](C)S(C)(=O)=O)C(C)(C)C ZINC000640348026 361067735 /nfs/dbraw/zinc/06/77/35/361067735.db2.gz MRZBZBVOJUFBOT-MNOVXSKESA-N 0 1 249.420 2.034 20 0 BEADMN C[C@H](CN(C)C[C@@H](C)C(C)(C)C)S(C)(=O)=O ZINC000640348022 361068063 /nfs/dbraw/zinc/06/80/63/361068063.db2.gz MRZBZBVOJUFBOT-GHMZBOCLSA-N 0 1 249.420 2.034 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000629484431 361090814 /nfs/dbraw/zinc/09/08/14/361090814.db2.gz KTJVFOPACCRSGR-SNVBAGLBSA-N 0 1 245.388 2.313 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000629489430 361095068 /nfs/dbraw/zinc/09/50/68/361095068.db2.gz HLAMTMNYXCFWOW-GXSJLCMTSA-N 0 1 247.285 2.217 20 0 BEADMN CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)C(=O)[O-] ZINC000629490771 361097508 /nfs/dbraw/zinc/09/75/08/361097508.db2.gz YOQJTTXVDGWLLM-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)on1 ZINC000631122635 361130904 /nfs/dbraw/zinc/13/09/04/361130904.db2.gz VEMBMPMBUCXSMH-ZDUSSCGKSA-N 0 1 249.358 2.090 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H]2C(C)C)n1 ZINC000424304769 200904485 /nfs/dbraw/zinc/90/44/85/200904485.db2.gz BVWDGZMIUWMUDS-WDEREUQCSA-N 0 1 235.331 2.009 20 0 BEADMN O=C(CCC1CCC1)Nc1cccc2[nH]nnc21 ZINC000640380425 361190015 /nfs/dbraw/zinc/19/00/15/361190015.db2.gz RLMIAXQLFHNUQE-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN C[C@H]1CC[C@@H](C(=O)Nc2cccc3[nH]nnc32)C1 ZINC000640380129 361190429 /nfs/dbraw/zinc/19/04/29/361190429.db2.gz NRWILKGJNTYBPV-DTWKUNHWSA-N 0 1 244.298 2.333 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000640401362 361196592 /nfs/dbraw/zinc/19/65/92/361196592.db2.gz OXCXNSRTLGKEOJ-SECBINFHSA-N 0 1 243.257 2.218 20 0 BEADMN C[C@@H]1CCCN(CC(=O)Nc2ccncc2)CC1 ZINC000171054637 361285098 /nfs/dbraw/zinc/28/50/98/361285098.db2.gz CWVGYDHAPNRHGU-GFCCVEGCSA-N 0 1 247.342 2.142 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380379969 361298537 /nfs/dbraw/zinc/29/85/37/361298537.db2.gz NRVCTTHQACORBZ-PHIMTYICSA-N 0 1 249.310 2.374 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000579025918 366699252 /nfs/dbraw/zinc/69/92/52/366699252.db2.gz MZGDSKNYMWMLQY-CYRBOEJBSA-N 0 1 237.343 2.218 20 0 BEADMN CC(C)c1nc(CN(CC(F)F)C(C)C)n[nH]1 ZINC000428374492 201011202 /nfs/dbraw/zinc/01/12/02/201011202.db2.gz NENGYWDBIARMDN-UHFFFAOYSA-N 0 1 246.305 2.404 20 0 BEADMN CCC[C@H](C)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000428431483 201015603 /nfs/dbraw/zinc/01/56/03/201015603.db2.gz UHTLAMABIFEMBY-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCC[C@H]1CCCCN1Cc1nnc(C)[nH]1 ZINC000428436984 201016217 /nfs/dbraw/zinc/01/62/17/201016217.db2.gz DMFXLOPPFDDQIM-NSHDSACASA-N 0 1 222.336 2.268 20 0 BEADMN CCc1cnc(CN2CCC[C@@H]2CCO)s1 ZINC000428469446 201021383 /nfs/dbraw/zinc/02/13/83/201021383.db2.gz JUYAQLPPZNXFGU-SNVBAGLBSA-N 0 1 240.372 2.052 20 0 BEADMN CCc1cnc(CN2CCC[C@H]2CCO)s1 ZINC000428469444 201023288 /nfs/dbraw/zinc/02/32/88/201023288.db2.gz JUYAQLPPZNXFGU-JTQLQIEISA-N 0 1 240.372 2.052 20 0 BEADMN CC(C)C[C@H]1C[C@@H](NCc2cocn2)CCO1 ZINC000428884770 201047199 /nfs/dbraw/zinc/04/71/99/201047199.db2.gz YNMXXJMRGZGRNZ-AAEUAGOBSA-N 0 1 238.331 2.358 20 0 BEADMN CCc1nc(C)c(CN[C@@]2(C)CCO[C@@H]2C)o1 ZINC000428940690 201049623 /nfs/dbraw/zinc/04/96/23/201049623.db2.gz RJBVJZUKEKEDSP-MFKMUULPSA-N 0 1 238.331 2.203 20 0 BEADMN CN1CCN(C(=O)C(C)(C)C)C[C@H]1C(C)(C)C ZINC000640616241 361332406 /nfs/dbraw/zinc/33/24/06/361332406.db2.gz DGPMRZCHZJKFDD-NSHDSACASA-N 0 1 240.391 2.221 20 0 BEADMN CCOC1(C)CCN(Cc2cnoc2C)CC1 ZINC000428738703 201039097 /nfs/dbraw/zinc/03/90/97/201039097.db2.gz BMFYCIWZWLEDSE-UHFFFAOYSA-N 0 1 238.331 2.374 20 0 BEADMN C[C@H](CC1CCC1)N[C@H](C)c1ncn(C)n1 ZINC000309811322 491157115 /nfs/dbraw/zinc/15/71/15/491157115.db2.gz ZCLRUEHKHBVIRF-NXEZZACHSA-N 0 1 222.336 2.044 20 0 BEADMN CCc1nc(C)c(CN(CC)[C@H]2CCOC2)o1 ZINC000428960101 201052668 /nfs/dbraw/zinc/05/26/68/201052668.db2.gz HMNZQRDETYAJGB-NSHDSACASA-N 0 1 238.331 2.156 20 0 BEADMN CC[C@@H]1CN([C@H](C)c2cnc(C)cn2)CCCO1 ZINC000428970771 201054535 /nfs/dbraw/zinc/05/45/35/201054535.db2.gz UXNWHMLEVLZSFF-CHWSQXEVSA-N 0 1 249.358 2.347 20 0 BEADMN Fc1ccc(Cl)cc1CN[C@H]1CCOC1 ZINC000162713620 361360931 /nfs/dbraw/zinc/36/09/31/361360931.db2.gz ORDJXMDQRKOVHK-JTQLQIEISA-N 0 1 229.682 2.358 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)CCCCF ZINC000429165359 201077457 /nfs/dbraw/zinc/07/74/57/201077457.db2.gz SSXKQVYFDSYYJB-NSHDSACASA-N 0 1 233.327 2.256 20 0 BEADMN O=C([O-])CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000580509007 361377301 /nfs/dbraw/zinc/37/73/01/361377301.db2.gz KRYHAVJQOOPDGK-UHFFFAOYSA-N 0 1 231.295 2.009 20 0 BEADMN COC(=O)CN(C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450470558 361379156 /nfs/dbraw/zinc/37/91/56/361379156.db2.gz AUZILURYEQQZBE-VIFPVBQESA-N 0 1 247.285 2.059 20 0 BEADMN CSc1ccncc1NCc1[nH]ncc1C ZINC000309853446 491157448 /nfs/dbraw/zinc/15/74/48/491157448.db2.gz JQZOSVHHBHIQRQ-UHFFFAOYSA-N 0 1 234.328 2.447 20 0 BEADMN CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429378890 201104919 /nfs/dbraw/zinc/10/49/19/201104919.db2.gz IUOSFYUVQZEDGF-VXGBXAGGSA-N 0 1 240.391 2.364 20 0 BEADMN C[C@H](N[C@@H](CO)CC(F)F)c1ccccc1F ZINC000429463952 201110538 /nfs/dbraw/zinc/11/05/38/201110538.db2.gz IEYNZNZDGHGKJE-DTWKUNHWSA-N 0 1 247.260 2.492 20 0 BEADMN CC[C@@H]1CCN1Cc1cccc(OC)n1 ZINC000429293112 201094652 /nfs/dbraw/zinc/09/46/52/201094652.db2.gz YRXHBAQNMPMWLE-LLVKDONJSA-N 0 1 206.289 2.075 20 0 BEADMN CC(C)C[C@H](C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000579372344 366769247 /nfs/dbraw/zinc/76/92/47/366769247.db2.gz CGOIUZABTLDTGW-LBPRGKRZSA-N 0 1 240.391 2.221 20 0 BEADMN C[C@H]1CCC[C@@H](CCN2CCc3nn[nH]c3C2)C1 ZINC000429307238 201097479 /nfs/dbraw/zinc/09/74/79/201097479.db2.gz NZNMICLKBJYKGO-RYUDHWBXSA-N 0 1 248.374 2.379 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CCCC(C)C ZINC000429333680 201101398 /nfs/dbraw/zinc/10/13/98/201101398.db2.gz OIYLXISEEMKRJY-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@@H]1C(=O)N(CC)CCN1CCCC(C)C ZINC000429333678 201102374 /nfs/dbraw/zinc/10/23/74/201102374.db2.gz OIYLXISEEMKRJY-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)CCCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000429591926 201121142 /nfs/dbraw/zinc/12/11/42/201121142.db2.gz SFPCSALEVRWCEB-DOMZBBRYSA-N 0 1 231.405 2.266 20 0 BEADMN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(COC)no1 ZINC000181329572 366803964 /nfs/dbraw/zinc/80/39/64/366803964.db2.gz OZADGQVUATYVKD-AEJSXWLSSA-N 0 1 241.335 2.301 20 0 BEADMN NC1(c2noc(C3CC3)n2)CCCCC1 ZINC000036764376 181336338 /nfs/dbraw/zinc/33/63/38/181336338.db2.gz QRYNZURBAHDJQS-UHFFFAOYSA-N 0 1 207.277 2.065 20 0 BEADMN NC1(c2noc(-c3ccncc3)n2)CCCCC1 ZINC000041153519 181336425 /nfs/dbraw/zinc/33/64/25/181336425.db2.gz GQMOZNKHWKCCAQ-UHFFFAOYSA-N 0 1 244.298 2.250 20 0 BEADMN NC1(c2noc([C@@H]3C[C@H]3C(F)(F)F)n2)CCC1 ZINC000335476476 181336653 /nfs/dbraw/zinc/33/66/53/181336653.db2.gz CQQFGZVJMPQKMN-PHDIDXHHSA-N 0 1 247.220 2.073 20 0 BEADMN COC(=O)[C@H](CC(C)C)N(C)C[C@H]1C[C@@H]1C ZINC000430190561 201152055 /nfs/dbraw/zinc/15/20/55/201152055.db2.gz HQVYCOIOSVUDHB-TUAOUCFPSA-N 0 1 227.348 2.162 20 0 BEADMN CCCn1cc(CN2CC[C@@H]2CC)cn1 ZINC000430200724 201153750 /nfs/dbraw/zinc/15/37/50/201153750.db2.gz VHMZJINPWCVYEI-LBPRGKRZSA-N 0 1 207.321 2.277 20 0 BEADMN Cc1ccoc1CNCc1c[nH]c2nccnc12 ZINC000430214547 201153777 /nfs/dbraw/zinc/15/37/77/201153777.db2.gz ZYYXLVVLNCIDLQ-UHFFFAOYSA-N 0 1 242.282 2.101 20 0 BEADMN CCc1cc(C(=O)N2CCCC3(CC3)CC2)n[nH]1 ZINC000629647028 361535564 /nfs/dbraw/zinc/53/55/64/361535564.db2.gz JSPWBLOWLHNYEX-UHFFFAOYSA-N 0 1 247.342 2.378 20 0 BEADMN C[C@H](Cc1nc([C@H]2CCCN2)no1)c1ccco1 ZINC000629675425 361598523 /nfs/dbraw/zinc/59/85/23/361598523.db2.gz SIQNKFDLLSIWOV-NXEZZACHSA-N 0 1 247.298 2.433 20 0 BEADMN CCC[C@@H](OCC)c1nc([C@H]2CCCN2)no1 ZINC000629675315 361598744 /nfs/dbraw/zinc/59/87/44/361598744.db2.gz PDKGBPZNDOAKLO-NXEZZACHSA-N 0 1 239.319 2.372 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1ncnn1C(C)C ZINC000434487651 201220720 /nfs/dbraw/zinc/22/07/20/201220720.db2.gz XNZDGHDRWGNCIK-VXGBXAGGSA-N 0 1 236.363 2.479 20 0 BEADMN c1cc(-c2ccc([C@H]3COCCN3)cc2)ccn1 ZINC000629690078 361625124 /nfs/dbraw/zinc/62/51/24/361625124.db2.gz FNVDNQAHVNMDQN-OAHLLOKOSA-N 0 1 240.306 2.410 20 0 BEADMN C[C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@H](C)N1 ZINC000154248099 201271495 /nfs/dbraw/zinc/27/14/95/201271495.db2.gz WUWQRDIEZFTQGJ-TXEJJXNPSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)C[C@@H](N)c1noc(-c2ccc(N)cc2)n1 ZINC000435907764 201298305 /nfs/dbraw/zinc/29/83/05/201298305.db2.gz QPOMJIUJCVBYIG-LLVKDONJSA-N 0 1 246.314 2.365 20 0 BEADMN CCN1C[C@@H](C)N(c2ncc(C)s2)C[C@@H]1C ZINC000436414516 201324269 /nfs/dbraw/zinc/32/42/69/201324269.db2.gz WCIZCCKBGZSQLA-VHSXEESVSA-N 0 1 239.388 2.370 20 0 BEADMN CCOC(C)(C)CNCc1ccn(C(F)F)n1 ZINC000436409841 201325279 /nfs/dbraw/zinc/32/52/79/201325279.db2.gz IZKYHZSUVCRZIL-UHFFFAOYSA-N 0 1 247.289 2.183 20 0 BEADMN CC(C)[N@@H+](C)CCN[C@H](C)c1cncc(F)c1 ZINC000155779167 201353890 /nfs/dbraw/zinc/35/38/90/201353890.db2.gz DCXMCFCJVBOPDI-LLVKDONJSA-N 0 1 239.338 2.212 20 0 BEADMN CC1(CCNC(=O)c2ccc(F)cc2O)CC1 ZINC000436990953 201341831 /nfs/dbraw/zinc/34/18/31/201341831.db2.gz RMHNHTZTCVCPRU-UHFFFAOYSA-N 0 1 237.274 2.451 20 0 BEADMN OC[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437761368 201372761 /nfs/dbraw/zinc/37/27/61/201372761.db2.gz SDECWNOFUDGCFG-JTQLQIEISA-N 0 1 248.301 2.121 20 0 BEADMN CCN(Cc1ncccn1)C1CCCC1 ZINC000191943523 363887829 /nfs/dbraw/zinc/88/78/29/363887829.db2.gz CTVXWRUYLUWBDU-UHFFFAOYSA-N 0 1 205.305 2.241 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cc2n(n1)CCC2 ZINC000631704963 363929280 /nfs/dbraw/zinc/92/92/80/363929280.db2.gz VILRWNCOBJZNLB-PUHVVEEASA-N 0 1 249.358 2.046 20 0 BEADMN CC[C@@H](NC(=O)CN(C)C)c1ccc(C)cc1 ZINC000170710523 364044024 /nfs/dbraw/zinc/04/40/24/364044024.db2.gz QHRMIKOXHJMMIK-CYBMUJFWSA-N 0 1 234.343 2.124 20 0 BEADMN CC(C)CCN(C)CC(=O)Nc1nccs1 ZINC000080077010 370724446 /nfs/dbraw/zinc/72/44/46/370724446.db2.gz ISZABHLNYCOPSR-UHFFFAOYSA-N 0 1 241.360 2.060 20 0 BEADMN CCCCC1CCC(NC(=O)CN(C)C)CC1 ZINC000170766660 364172780 /nfs/dbraw/zinc/17/27/80/364172780.db2.gz IZFZHNSWPQFJAG-UHFFFAOYSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H]1c2ccccc2CCN1CC1=NOCC1 ZINC001641984773 1172316791 /nfs/dbraw/zinc/31/67/91/1172316791.db2.gz PMAGFMSRIYKQJZ-LLVKDONJSA-N 0 1 230.311 2.382 20 0 BEADMN CC[C@@H](COC)NCc1nc2c(s1)CCC2 ZINC000093076248 541347125 /nfs/dbraw/zinc/34/71/25/541347125.db2.gz QPRCGLJWDRYFQO-VIFPVBQESA-N 0 1 240.372 2.146 20 0 BEADMN CC[C@@H](CC(F)F)Cn1ccnc1CN ZINC000630584456 364290191 /nfs/dbraw/zinc/29/01/91/364290191.db2.gz YCQIGTQKQBWMIC-QMMMGPOBSA-N 0 1 217.263 2.023 20 0 BEADMN CNC(C)(C)c1cn([C@@H]2CC[C@H](C)C2)nn1 ZINC000630601943 364317702 /nfs/dbraw/zinc/31/77/02/364317702.db2.gz DDMIXYKELFYHDL-VHSXEESVSA-N 0 1 222.336 2.094 20 0 BEADMN CN[C@H](C)c1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000630602157 364318289 /nfs/dbraw/zinc/31/82/89/364318289.db2.gz AHSGQUHRXQNRRE-NXEZZACHSA-N 0 1 222.336 2.310 20 0 BEADMN CCC1(CC)[C@H](NCc2cocn2)C[C@@H]1OC ZINC000182067747 366864677 /nfs/dbraw/zinc/86/46/77/366864677.db2.gz LFDAZQDCOBOTFH-NEPJUHHUSA-N 0 1 238.331 2.358 20 0 BEADMN COC(C)(C)[C@H](C)NCc1ncc(C)s1 ZINC000300974456 541376166 /nfs/dbraw/zinc/37/61/66/541376166.db2.gz JQGHKCUOWUTXBL-VIFPVBQESA-N 0 1 228.361 2.355 20 0 BEADMN CC[C@@H](N[C@@H](C)C(N)=O)c1ccc(Cl)s1 ZINC000268724381 364731671 /nfs/dbraw/zinc/73/16/71/364731671.db2.gz JUWGKJQTFRXFTA-NKWVEPMBSA-N 0 1 246.763 2.316 20 0 BEADMN CC[C@@H](N[C@H](C)C(N)=O)c1ccc(Cl)s1 ZINC000268724383 364731721 /nfs/dbraw/zinc/73/17/21/364731721.db2.gz JUWGKJQTFRXFTA-RNFRBKRXSA-N 0 1 246.763 2.316 20 0 BEADMN COc1cc(CN(C)CCCSC)sn1 ZINC000595468933 541379807 /nfs/dbraw/zinc/37/98/07/541379807.db2.gz DZKXEVVYIROEFR-UHFFFAOYSA-N 0 1 246.401 2.337 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@@H](C)O[C@H]2C)s1 ZINC000295648696 364780753 /nfs/dbraw/zinc/78/07/53/364780753.db2.gz IOJHIAJBKDXECD-WCABBAIRSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1cnc(CN[C@@H]2C[C@H](C)O[C@@H]2C)s1 ZINC000295648690 364780772 /nfs/dbraw/zinc/78/07/72/364780772.db2.gz IOJHIAJBKDXECD-IQJOONFLSA-N 0 1 240.372 2.361 20 0 BEADMN CCc1nc(CNCc2c(C)cccc2C)n[nH]1 ZINC000295989192 364782054 /nfs/dbraw/zinc/78/20/54/364782054.db2.gz KCLDKTOLZBCKAG-UHFFFAOYSA-N 0 1 244.342 2.274 20 0 BEADMN Cn1cc(Nc2nnc(C(F)(F)F)s2)cn1 ZINC000168079810 364852647 /nfs/dbraw/zinc/85/26/47/364852647.db2.gz CHGUBCRVOZGWRW-UHFFFAOYSA-N 0 1 249.221 2.034 20 0 BEADMN COc1ccc(CN2CC[C@H](OC)C2)c(F)c1 ZINC000573378541 364816460 /nfs/dbraw/zinc/81/64/60/364816460.db2.gz LVGQHAYUDFYAIV-LBPRGKRZSA-N 0 1 239.290 2.055 20 0 BEADMN CN(Cc1ccc2c(n1)CCC2)C[C@@H]1CCCO1 ZINC000573451714 364836449 /nfs/dbraw/zinc/83/64/49/364836449.db2.gz YVRSVZGMWHAZJF-AWEZNQCLSA-N 0 1 246.354 2.181 20 0 BEADMN COc1ccccc1CNCc1cnc(C)n1C ZINC000573625529 364878406 /nfs/dbraw/zinc/87/84/06/364878406.db2.gz LZWQYIVPXSMKKV-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCC1CCN([C@@H](C)c2nccc(N)n2)CC1 ZINC000573574146 364865275 /nfs/dbraw/zinc/86/52/75/364865275.db2.gz LXIDANBKBWBYMO-JTQLQIEISA-N 0 1 234.347 2.072 20 0 BEADMN Cc1nnsc1CN1CCSCC[C@@H]1C ZINC000574089845 364986525 /nfs/dbraw/zinc/98/65/25/364986525.db2.gz QFUCHJYMPQNUNM-QMMMGPOBSA-N 0 1 243.401 2.174 20 0 BEADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CC=CC1 ZINC001642167855 1172328037 /nfs/dbraw/zinc/32/80/37/1172328037.db2.gz PFOYPZHIGTUSQM-UHFFFAOYSA-N 0 1 239.278 2.089 20 0 BEADMN CC(C)[C@H]1CCCN([C@H](C)c2nccc(N)n2)C1 ZINC000574216608 365012492 /nfs/dbraw/zinc/01/24/92/365012492.db2.gz ARMJTIQVMNAEPX-NEPJUHHUSA-N 0 1 248.374 2.318 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C(C)=O)no1 ZINC000574216748 365013601 /nfs/dbraw/zinc/01/36/01/365013601.db2.gz DHDNNMMKPYCSAI-MWLCHTKSSA-N 0 1 236.315 2.498 20 0 BEADMN COCC[N@@H+](Cc1ccno1)[C@H]1CC[C@H](C)C1 ZINC000574379884 365046949 /nfs/dbraw/zinc/04/69/49/365046949.db2.gz JEVADTCGKJHAGX-RYUDHWBXSA-N 0 1 238.331 2.312 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CC[C@H](C)F ZINC000574524656 365072391 /nfs/dbraw/zinc/07/23/91/365072391.db2.gz FVIOMQRGVFLZIJ-VHSXEESVSA-N 0 1 219.300 2.166 20 0 BEADMN COCC(C)(C)NCc1cn2cc(C)ccc2n1 ZINC000171203965 365177970 /nfs/dbraw/zinc/17/79/70/365177970.db2.gz GCJYZXCFDBSHMH-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN CC(C)c1ncc(CN(C)CCCO)s1 ZINC000442963960 193008385 /nfs/dbraw/zinc/00/83/85/193008385.db2.gz HCSRVAULDJLUEF-UHFFFAOYSA-N 0 1 228.361 2.081 20 0 BEADMN CCC1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000574772225 365143120 /nfs/dbraw/zinc/14/31/20/365143120.db2.gz MILHPPRIYJUXIU-UHFFFAOYSA-N 0 1 245.282 2.152 20 0 BEADMN CC1(C)CCC[N@H+](CCNCc2ccncc2)C1 ZINC000444034332 193033681 /nfs/dbraw/zinc/03/36/81/193033681.db2.gz PLKYZPHNDNWRGG-UHFFFAOYSA-N 0 1 247.386 2.293 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1C(C)=CCC[C@H]1C ZINC000443415805 193020651 /nfs/dbraw/zinc/02/06/51/193020651.db2.gz IIRYPCGQZGXRDM-OLZOCXBDSA-N 0 1 239.359 2.474 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1Cc1ncccn1 ZINC000192050700 365272161 /nfs/dbraw/zinc/27/21/61/365272161.db2.gz DEXZOGZJGWWEEW-WDEREUQCSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@@H]1CC[C@@H](C)N(Cc2ncccn2)C1 ZINC000192050695 365272193 /nfs/dbraw/zinc/27/21/93/365272193.db2.gz DEXZOGZJGWWEEW-GHMZBOCLSA-N 0 1 205.305 2.097 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)Cc1ncccn1 ZINC000192214595 365283217 /nfs/dbraw/zinc/28/32/17/365283217.db2.gz KXBONKIDJRONHD-NWDGAFQWSA-N 0 1 219.332 2.487 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)CCC1CCC1 ZINC000575351551 365299764 /nfs/dbraw/zinc/29/97/64/365299764.db2.gz SVSVESASKSSYNC-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN CC(=O)c1cccc(C[N@H+](C)[C@H](C)CC(=O)[O-])c1 ZINC000575430531 365320016 /nfs/dbraw/zinc/32/00/16/365320016.db2.gz BQASCLRCFGTBRM-SNVBAGLBSA-N 0 1 249.310 2.184 20 0 BEADMN C[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575802091 365367995 /nfs/dbraw/zinc/36/79/95/365367995.db2.gz CJFUWUWSSWLWQU-WZRBSPASSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H]1CCCN(Cc2n[nH]c(C3CC3)n2)CC1 ZINC000182274957 366880698 /nfs/dbraw/zinc/88/06/98/366880698.db2.gz YUKUJQFZESKCDF-JTQLQIEISA-N 0 1 234.347 2.304 20 0 BEADMN CC[C@H]1CCCN([C@@H](C)c2nccc(N)n2)C1 ZINC000575861376 365389398 /nfs/dbraw/zinc/38/93/98/365389398.db2.gz CUHOKDZVWVHDMJ-QWRGUYRKSA-N 0 1 234.347 2.072 20 0 BEADMN CC(C)N(CC1CC1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000576050217 365464424 /nfs/dbraw/zinc/46/44/24/365464424.db2.gz ANHXUOZFQIBZMS-NSHDSACASA-N 0 1 249.358 2.235 20 0 BEADMN Cc1nc(CN[C@H]2C=CCCC2)[nH]c1C ZINC000576053362 365467835 /nfs/dbraw/zinc/46/78/35/365467835.db2.gz LRWXJJYPVMIPFM-NSHDSACASA-N 0 1 205.305 2.225 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1=CCCCC1 ZINC000576002246 365443743 /nfs/dbraw/zinc/44/37/43/365443743.db2.gz UERLHUSURUDCRC-LLVKDONJSA-N 0 1 247.342 2.205 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000576043141 365461480 /nfs/dbraw/zinc/46/14/80/365461480.db2.gz DGKYKEJFZGIXKN-ZJUUUORDSA-N 0 1 220.272 2.055 20 0 BEADMN CCOCCN[C@H](C)c1cn2ccccc2n1 ZINC000579614069 366909626 /nfs/dbraw/zinc/90/96/26/366909626.db2.gz OHJUCDHATMMXPI-LLVKDONJSA-N 0 1 233.315 2.021 20 0 BEADMN Cn1cncc1CNCc1scnc1C1CC1 ZINC000352449032 541481759 /nfs/dbraw/zinc/48/17/59/541481759.db2.gz XDCZQMYSGALKNI-UHFFFAOYSA-N 0 1 248.355 2.044 20 0 BEADMN C[C@@H](NCc1nccc(N)n1)C1CCCCC1 ZINC000182943264 366960592 /nfs/dbraw/zinc/96/05/92/366960592.db2.gz HBOKCOJAONHSMP-SNVBAGLBSA-N 0 1 234.347 2.117 20 0 BEADMN Clc1ccsc1COCCc1c[nH]nn1 ZINC000579814375 367018191 /nfs/dbraw/zinc/01/81/91/367018191.db2.gz QFTGPXUJHNCMSS-UHFFFAOYSA-N 0 1 243.719 2.279 20 0 BEADMN Cc1nc2c(n1C[C@@H]1CCCOC1)CCCC2 ZINC000579733281 366998444 /nfs/dbraw/zinc/99/84/44/366998444.db2.gz LJKRXYKZRFEOAW-LBPRGKRZSA-N 0 1 234.343 2.497 20 0 BEADMN Cc1nc(CN[C@]2(C)CCO[C@H]2C2CC2)[nH]c1C ZINC000579735365 366999520 /nfs/dbraw/zinc/99/95/20/366999520.db2.gz ZBZZTBGBMTXWOX-UONOGXRCSA-N 0 1 249.358 2.074 20 0 BEADMN CCC1CN(Cc2cccc3c2OCCO3)C1 ZINC000453607376 202783984 /nfs/dbraw/zinc/78/39/84/202783984.db2.gz SLXHIADWISMIPD-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN CC[C@@H](C)CN(C)C(=O)c1cccc2nn[nH]c21 ZINC000183599089 367031986 /nfs/dbraw/zinc/03/19/86/367031986.db2.gz IWNMVXNIXBYCHB-SECBINFHSA-N 0 1 246.314 2.076 20 0 BEADMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccnn1C ZINC000185594313 367136528 /nfs/dbraw/zinc/13/65/28/367136528.db2.gz DDEMZGZJMDURFK-JQWIXIFHSA-N 0 1 207.321 2.041 20 0 BEADMN COCCN(CCSC)Cc1ccco1 ZINC000193225379 367157736 /nfs/dbraw/zinc/15/77/36/367157736.db2.gz BQCVCPOSPWCMBS-UHFFFAOYSA-N 0 1 229.345 2.091 20 0 BEADMN CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000580842309 367184737 /nfs/dbraw/zinc/18/47/37/367184737.db2.gz CGZUHBQHIMUGOZ-NWDGAFQWSA-N 0 1 249.358 2.237 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])[C@H]1CC1(C)C ZINC000580898254 367201349 /nfs/dbraw/zinc/20/13/49/367201349.db2.gz WYEOZIQJTUSRCQ-JTQLQIEISA-N 0 1 213.321 2.362 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])co3)C[C@@H]21 ZINC000380466877 367212929 /nfs/dbraw/zinc/21/29/29/367212929.db2.gz UUHPRFHJCROEET-PHIMTYICSA-N 0 1 235.283 2.066 20 0 BEADMN Cc1nc(CN[C@@H]2CCCSC2)[nH]c1C ZINC000581142508 367276895 /nfs/dbraw/zinc/27/68/95/367276895.db2.gz OGALOZCVPAGBMZ-SNVBAGLBSA-N 0 1 225.361 2.012 20 0 BEADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000581078540 367257700 /nfs/dbraw/zinc/25/77/00/367257700.db2.gz WMLVWOLXELVKBF-CYBMUJFWSA-N 0 1 249.285 2.047 20 0 BEADMN CC(=O)c1cc(CN2CC[C@@H](C3CC3)C2)on1 ZINC000581258669 367311537 /nfs/dbraw/zinc/31/15/37/367311537.db2.gz HDPIAESVSYOZFJ-LLVKDONJSA-N 0 1 234.299 2.109 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CCCC12CCC2 ZINC000581456221 367480426 /nfs/dbraw/zinc/48/04/26/367480426.db2.gz VVQMLIQGCUPTBQ-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCCC12CCC2 ZINC000581456221 367480428 /nfs/dbraw/zinc/48/04/28/367480428.db2.gz VVQMLIQGCUPTBQ-UHFFFAOYSA-N 0 1 218.300 2.306 20 0 BEADMN CCn1cc(CN[C@@H]2CCCC[C@H]2F)cn1 ZINC000382175435 367493834 /nfs/dbraw/zinc/49/38/34/367493834.db2.gz XSVYNGHPDRASRJ-VXGBXAGGSA-N 0 1 225.311 2.273 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])C[C@@H]1CCCC1(F)F ZINC000381558683 367429774 /nfs/dbraw/zinc/42/97/74/367429774.db2.gz HNVSIRFBDJGJTG-JTQLQIEISA-N 0 1 249.301 2.464 20 0 BEADMN Cc1cc([C@@H](C)NCC(=O)NC(C)C)cs1 ZINC000381602677 367435872 /nfs/dbraw/zinc/43/58/72/367435872.db2.gz NMYMSADXGPAITM-SNVBAGLBSA-N 0 1 240.372 2.232 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1C[C@@H]1CCCC1(F)F ZINC000381618071 367439128 /nfs/dbraw/zinc/43/91/28/367439128.db2.gz QSYKNJWFQOINGX-UTLUCORTSA-N 0 1 247.285 2.217 20 0 BEADMN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc(C)ccn1 ZINC000381740503 367453499 /nfs/dbraw/zinc/45/34/99/367453499.db2.gz OVXXZTHDTFCZEZ-KGYLQXTDSA-N 0 1 220.316 2.218 20 0 BEADMN CCn1ccnc1CN[C@H]1CC12CCCC2 ZINC000381749866 367454259 /nfs/dbraw/zinc/45/42/59/367454259.db2.gz QVSGMWDRWQBHSD-NSHDSACASA-N 0 1 219.332 2.325 20 0 BEADMN CCC1(NCc2csnn2)CCCC1 ZINC000382564895 367541046 /nfs/dbraw/zinc/54/10/46/367541046.db2.gz NKRJJVJCQCRWCC-UHFFFAOYSA-N 0 1 211.334 2.351 20 0 BEADMN CC[C@@H](N[C@H](C(=O)OC)C1CC1)C1CCCC1 ZINC000382817328 367561065 /nfs/dbraw/zinc/56/10/65/367561065.db2.gz FXLAUKWCNNSGAR-OLZOCXBDSA-N 0 1 239.359 2.496 20 0 BEADMN CCCC[C@H](C(=O)OC)N1CC[C@@H](SC)C1 ZINC000382933832 367570552 /nfs/dbraw/zinc/57/05/52/367570552.db2.gz GOTWUPXZVKTOLP-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN CC1(C)CC[C@H]1NC(=O)c1ccc(F)cc1O ZINC000383440345 367621849 /nfs/dbraw/zinc/62/18/49/367621849.db2.gz GNMNSCPVYRDJRY-LLVKDONJSA-N 0 1 237.274 2.450 20 0 BEADMN Cc1nnsc1Cn1c(C)nc2c1CCCC2 ZINC000383653871 367647754 /nfs/dbraw/zinc/64/77/54/367647754.db2.gz HXJBUHUMVUXCQY-UHFFFAOYSA-N 0 1 248.355 2.279 20 0 BEADMN CC[C@H](C)[N@@H+](CCC1(OC)CCC1)CC(=O)[O-] ZINC000383952711 367662752 /nfs/dbraw/zinc/66/27/52/367662752.db2.gz GVLLNLVSGQTVBH-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN CCc1cnc(CN[C@H](C)CC(C)(C)O)s1 ZINC000384820487 367737883 /nfs/dbraw/zinc/73/78/83/367737883.db2.gz FAMHNFFXFDLJGC-SECBINFHSA-N 0 1 242.388 2.345 20 0 BEADMN Cc1nccc(N[C@H](C)CC(C)(C)O)c1Cl ZINC000384887182 367751238 /nfs/dbraw/zinc/75/12/38/367751238.db2.gz JYPPIHNIURIAIV-MRVPVSSYSA-N 0 1 242.750 2.427 20 0 BEADMN CC/C=C\CNC(=O)c1ccc(F)cc1O ZINC000384962557 367766987 /nfs/dbraw/zinc/76/69/87/367766987.db2.gz HLQVADFINWBYRX-ARJAWSKDSA-N 0 1 223.247 2.227 20 0 BEADMN CCCn1cc(CNC2(CF)CCC2)cn1 ZINC000581823870 367832421 /nfs/dbraw/zinc/83/24/21/367832421.db2.gz KQYNDYQRPSVAHW-UHFFFAOYSA-N 0 1 225.311 2.275 20 0 BEADMN Cc1cc(C)cc(C(=O)N2CCCN(C)CC2)c1 ZINC000020478612 367969901 /nfs/dbraw/zinc/96/99/01/367969901.db2.gz XMAVSFDJMBPRBM-UHFFFAOYSA-N 0 1 246.354 2.081 20 0 BEADMN CC[C@@]1(C)CCC[N@H+]([C@H](C(=O)[O-])C2CC2)C1 ZINC000566359353 326036577 /nfs/dbraw/zinc/03/65/77/326036577.db2.gz RJMXZWNPDDFPIF-AAEUAGOBSA-N 0 1 225.332 2.362 20 0 BEADMN CC[N@@H+](CCCc1ccsc1)CCC(=O)[O-] ZINC000566360916 326036913 /nfs/dbraw/zinc/03/69/13/326036913.db2.gz CMSGIKDEQZCBCS-UHFFFAOYSA-N 0 1 241.356 2.477 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(C)CCCC1 ZINC000582011383 368152024 /nfs/dbraw/zinc/15/20/24/368152024.db2.gz AGENJBQLISZRGY-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN CCN(CC(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000029911841 368244809 /nfs/dbraw/zinc/24/48/09/368244809.db2.gz BHJPUAHWBKXARJ-UHFFFAOYSA-N 0 1 248.326 2.118 20 0 BEADMN CCCC(C)(C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000566437354 326046777 /nfs/dbraw/zinc/04/67/77/326046777.db2.gz AMGKDWQBRXBRHY-SNVBAGLBSA-N 0 1 237.347 2.283 20 0 BEADMN CC(C)=CCC[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000615698891 368210657 /nfs/dbraw/zinc/21/06/57/368210657.db2.gz QWLUCHRNPALSDG-GFCCVEGCSA-N 0 1 238.375 2.332 20 0 BEADMN C[C@H](C(=O)NCc1ccc2nc[nH]c2c1)C1CC1 ZINC000615788675 368304301 /nfs/dbraw/zinc/30/43/01/368304301.db2.gz BZUASHKEIRGNMB-VIFPVBQESA-N 0 1 243.310 2.225 20 0 BEADMN CC[C@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789096 368306264 /nfs/dbraw/zinc/30/62/64/368306264.db2.gz BJMYYYMQNAEELJ-VIFPVBQESA-N 0 1 231.299 2.225 20 0 BEADMN CCCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043084663 368391759 /nfs/dbraw/zinc/39/17/59/368391759.db2.gz UWTLXTXFGJIRFY-NWDGAFQWSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@H]1COCCN1CCCc1ccccc1 ZINC000046775529 368450392 /nfs/dbraw/zinc/45/03/92/368450392.db2.gz WKIBBTYTJRHVOV-ZDUSSCGKSA-N 0 1 219.328 2.340 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000058041903 368505872 /nfs/dbraw/zinc/50/58/72/368505872.db2.gz GXUDLVBRHODQFZ-UHFFFAOYSA-N 0 1 224.279 2.104 20 0 BEADMN CCN(CC)CC(=O)N(C)c1ccc(F)cc1 ZINC000058819900 368522558 /nfs/dbraw/zinc/52/25/58/368522558.db2.gz CCCSHNJUUGLRMQ-UHFFFAOYSA-N 0 1 238.306 2.130 20 0 BEADMN CCOCCN(C)Cc1ccc(F)c(F)c1 ZINC000058576906 368514606 /nfs/dbraw/zinc/51/46/06/368514606.db2.gz MDQSEYZQUALFBT-UHFFFAOYSA-N 0 1 229.270 2.433 20 0 BEADMN Cc1ncccc1NC(=O)C(C)(C)c1cnc[nH]1 ZINC000622405466 370901377 /nfs/dbraw/zinc/90/13/77/370901377.db2.gz VDPFEQXHZOLCGF-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CCN(CC)[C@@H](C(=O)N1CCC1)c1ccccc1 ZINC000067245889 368682640 /nfs/dbraw/zinc/68/26/40/368682640.db2.gz DXLKKWIGBNNZLW-CQSZACIVSA-N 0 1 246.354 2.302 20 0 BEADMN C[C@H](CC(C)(C)C)NC(=O)c1[nH]nc2c1CCC2 ZINC000457233924 203024285 /nfs/dbraw/zinc/02/42/85/203024285.db2.gz SMZYZDSOOSJSSV-SECBINFHSA-N 0 1 249.358 2.453 20 0 BEADMN CC[C@H](OC)C(=O)Nc1ccc(F)c(F)c1O ZINC000457285657 203033235 /nfs/dbraw/zinc/03/32/35/203033235.db2.gz DEDAHJLKTCRIFT-QMMMGPOBSA-N 0 1 245.225 2.034 20 0 BEADMN CC(C)OCC(=O)Nc1ccc(F)c(F)c1O ZINC000457284951 203033385 /nfs/dbraw/zinc/03/33/85/203033385.db2.gz BOTXLASOOCSUDN-UHFFFAOYSA-N 0 1 245.225 2.034 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000457281832 203033395 /nfs/dbraw/zinc/03/33/95/203033395.db2.gz MXMFSWRKFJXIOH-MBNYWOFBSA-N 0 1 238.375 2.022 20 0 BEADMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000457281832 203033399 /nfs/dbraw/zinc/03/33/99/203033399.db2.gz MXMFSWRKFJXIOH-MBNYWOFBSA-N 0 1 238.375 2.022 20 0 BEADMN CCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000068964880 368742281 /nfs/dbraw/zinc/74/22/81/368742281.db2.gz AVBAUCUPTNBOSD-UHFFFAOYSA-N 0 1 244.298 2.383 20 0 BEADMN C[C@@H](CC(C)(C)C)NC(=O)[C@H]1CCCN1C ZINC000457205339 203019035 /nfs/dbraw/zinc/01/90/35/203019035.db2.gz BWJWNGWSTMMOSH-WDEREUQCSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1cc(CC(=O)N[C@@H](C)CC(C)(C)C)[nH]n1 ZINC000457212701 203020143 /nfs/dbraw/zinc/02/01/43/203020143.db2.gz GWMIQGMIUGZPPT-JTQLQIEISA-N 0 1 237.347 2.202 20 0 BEADMN CCCNC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000070738246 368762992 /nfs/dbraw/zinc/76/29/92/368762992.db2.gz YZMRWTPPROZMMU-LBPRGKRZSA-N 0 1 234.343 2.033 20 0 BEADMN CN(Cc1nccn1C)C1CCCCC1 ZINC000070923757 368766832 /nfs/dbraw/zinc/76/68/32/368766832.db2.gz BTBWNTHBFGLDDH-UHFFFAOYSA-N 0 1 207.321 2.185 20 0 BEADMN Cc1ccc(CSc2cn[nH]n2)cc1 ZINC000071258212 368771568 /nfs/dbraw/zinc/77/15/68/368771568.db2.gz ZBVDCOBVHSQUNV-UHFFFAOYSA-N 0 1 205.286 2.405 20 0 BEADMN C[C@H]1C[N@@H+](CCCCCC(=O)[O-])CC(C)(C)O1 ZINC000083679571 368803166 /nfs/dbraw/zinc/80/31/66/368803166.db2.gz BOUYQCBXPIDLTP-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789998 368885462 /nfs/dbraw/zinc/88/54/62/368885462.db2.gz RAUHHOUSJUHMBS-NEPJUHHUSA-N 0 1 233.311 2.463 20 0 BEADMN CC1(C)CC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000087256536 368891443 /nfs/dbraw/zinc/89/14/43/368891443.db2.gz CIICVSXMIOJZFX-UHFFFAOYSA-N 0 1 223.272 2.210 20 0 BEADMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCC1CC1 ZINC000088491602 368915415 /nfs/dbraw/zinc/91/54/15/368915415.db2.gz KTBQFKNMHNQNOZ-AWEZNQCLSA-N 0 1 245.322 2.471 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000088046990 368902025 /nfs/dbraw/zinc/90/20/25/368902025.db2.gz HADRCAHDGRUPIL-UHFFFAOYSA-N 0 1 245.681 2.386 20 0 BEADMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC000088133808 368905862 /nfs/dbraw/zinc/90/58/62/368905862.db2.gz JNQUVADZQPYXKC-CQSZACIVSA-N 0 1 245.322 2.471 20 0 BEADMN Cc1nc(CN[C@@H](CO)CCC(C)C)cs1 ZINC000623647386 368970027 /nfs/dbraw/zinc/97/00/27/368970027.db2.gz FAPNKBXQFITWSW-LLVKDONJSA-N 0 1 242.388 2.338 20 0 BEADMN C[N@@H+](Cc1ccccc1F)[C@@H](C(=O)[O-])C1CC1 ZINC000088795814 368928939 /nfs/dbraw/zinc/92/89/39/368928939.db2.gz XIYCEUYZPKHIJJ-GFCCVEGCSA-N 0 1 237.274 2.121 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H]2CCCc3scnc32)CO1 ZINC000624006469 368946892 /nfs/dbraw/zinc/94/68/92/368946892.db2.gz YAXWLULKAMIJRG-BBBLOLIVSA-N 0 1 238.356 2.288 20 0 BEADMN CCc1cc(C(=O)N2[C@@H](C)CCC2(C)C)n[nH]1 ZINC000616177705 369009174 /nfs/dbraw/zinc/00/91/74/369009174.db2.gz KJRZWNKKSOCISB-VIFPVBQESA-N 0 1 235.331 2.375 20 0 BEADMN CC1(CC(=O)NCc2ccc3cncn3c2)CC1 ZINC000457979350 203122248 /nfs/dbraw/zinc/12/22/48/203122248.db2.gz TZSCYNZOFWUQEL-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN CCN(CC(=O)N[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC000458117335 203136072 /nfs/dbraw/zinc/13/60/72/203136072.db2.gz JGDGOQKUEISQND-TZMCWYRMSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@H](NC(=O)[C@H]1CCCN1C)C1CCC1 ZINC000458348741 203164644 /nfs/dbraw/zinc/16/46/44/203164644.db2.gz YZMRYVYMQXYYRK-QWHCGFSZSA-N 0 1 238.375 2.166 20 0 BEADMN CCC[C@H](NC(=O)[C@@H]1CCCN1C)C1CCC1 ZINC000458348742 203165421 /nfs/dbraw/zinc/16/54/21/203165421.db2.gz YZMRYVYMQXYYRK-STQMWFEESA-N 0 1 238.375 2.166 20 0 BEADMN Cc1ccsc1C[N@H+](C)CCc1cncn1C ZINC000459293375 203246958 /nfs/dbraw/zinc/24/69/58/203246958.db2.gz JWQLXEFPDWVBHQ-UHFFFAOYSA-N 0 1 249.383 2.465 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(C(=O)CCc2cnc[nH]2)C1 ZINC000619133835 369293167 /nfs/dbraw/zinc/29/31/67/369293167.db2.gz QAFLDQDJABQLFD-VXGBXAGGSA-N 0 1 249.358 2.379 20 0 BEADMN COCc1cc(CN2CCC[C@@H](C)CC2)no1 ZINC000459332141 203257675 /nfs/dbraw/zinc/25/76/75/203257675.db2.gz XKLFFOYENZYGGY-LLVKDONJSA-N 0 1 238.331 2.443 20 0 BEADMN CC(C)CC[C@H](O)CNCc1nccs1 ZINC000567677081 326243847 /nfs/dbraw/zinc/24/38/47/326243847.db2.gz DZUOWHAILJSTHS-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@H]2C[C@H]2C1 ZINC000619365454 369326226 /nfs/dbraw/zinc/32/62/26/369326226.db2.gz FLSNCVMBVFGFMQ-IUCAKERBSA-N 0 1 235.258 2.013 20 0 BEADMN COCc1cc(CN2CC[C@H]3CCC[C@H]32)no1 ZINC000459485668 203289431 /nfs/dbraw/zinc/28/94/31/203289431.db2.gz DVLIMQBWFXIEEB-ZWNOBZJWSA-N 0 1 236.315 2.195 20 0 BEADMN Cc1cc(CNC[C@H]2CCCCS2)no1 ZINC000459480582 203289643 /nfs/dbraw/zinc/28/96/43/203289643.db2.gz MASBTEGILKHYJD-LLVKDONJSA-N 0 1 226.345 2.358 20 0 BEADMN COCc1cc(CN[C@@H](C)CCC2CC2)no1 ZINC000459511425 203293515 /nfs/dbraw/zinc/29/35/15/203293515.db2.gz AUFINNUDYGSHAY-JTQLQIEISA-N 0 1 238.331 2.489 20 0 BEADMN COCc1cc(CN[C@H]2CCCC2(C)C)no1 ZINC000459419229 203278645 /nfs/dbraw/zinc/27/86/45/203278645.db2.gz DNZYKYDOFZSUGK-LBPRGKRZSA-N 0 1 238.331 2.489 20 0 BEADMN Cc1cc(CNC[C@]2(C)CCCC[C@@H]2O)no1 ZINC000459429681 203279810 /nfs/dbraw/zinc/27/98/10/203279810.db2.gz QCUUDWGCGGLVLN-STQMWFEESA-N 0 1 238.331 2.014 20 0 BEADMN CCC1(CNCc2cc(COC)on2)CCC1 ZINC000459436927 203279957 /nfs/dbraw/zinc/27/99/57/203279957.db2.gz YRDNRVYEXFAXDT-UHFFFAOYSA-N 0 1 238.331 2.491 20 0 BEADMN Cc1cc(F)c(CN[C@H](C)CO)c(Cl)c1 ZINC000459430920 203280517 /nfs/dbraw/zinc/28/05/17/203280517.db2.gz RWSMKTNSVWHJML-MRVPVSSYSA-N 0 1 231.698 2.258 20 0 BEADMN OCCC1CN(C/C=C/c2ccccc2)C1 ZINC000459584914 203307645 /nfs/dbraw/zinc/30/76/45/203307645.db2.gz AZZBVBZBSGJYJG-QPJJXVBHSA-N 0 1 217.312 2.014 20 0 BEADMN COC1(c2ccccc2)CN(C[C@@H]2C[C@H]2C)C1 ZINC000459549622 203298782 /nfs/dbraw/zinc/29/87/82/203298782.db2.gz FNABJLMTJWFMDP-OLZOCXBDSA-N 0 1 231.339 2.500 20 0 BEADMN CC[C@H]1CCN1Cc1cnc(C2CC2)nc1 ZINC000459564964 203303423 /nfs/dbraw/zinc/30/34/23/203303423.db2.gz WWCYHFNPGQXWRF-LBPRGKRZSA-N 0 1 217.316 2.338 20 0 BEADMN c1nc(C2CC2)ncc1CN1CC[C@@H]1C1CC1 ZINC000459569641 203304437 /nfs/dbraw/zinc/30/44/37/203304437.db2.gz DCWOQQLILZBAOA-CYBMUJFWSA-N 0 1 229.327 2.338 20 0 BEADMN CC[C@@H]1CCN1Cc1cnc(C2CC2)nc1 ZINC000459564963 203305049 /nfs/dbraw/zinc/30/50/49/203305049.db2.gz WWCYHFNPGQXWRF-GFCCVEGCSA-N 0 1 217.316 2.338 20 0 BEADMN CC[C@@H](N[C@@H](C)c1cscn1)[C@@H](O)CC ZINC000313155784 326258038 /nfs/dbraw/zinc/25/80/38/326258038.db2.gz NNKBSTPHNDHTFB-NGZCFLSTSA-N 0 1 228.361 2.343 20 0 BEADMN CCc1cc(OC)ccc1CN1CC(C)(CO)C1 ZINC000459619477 203318324 /nfs/dbraw/zinc/31/83/24/203318324.db2.gz IWKLABHMDMLGNE-UHFFFAOYSA-N 0 1 249.354 2.072 20 0 BEADMN COCC1(C)CN(Cc2ccc(C)cc2OC)C1 ZINC000459625597 203322227 /nfs/dbraw/zinc/32/22/27/203322227.db2.gz XYHSGZJJVQOSHE-UHFFFAOYSA-N 0 1 249.354 2.472 20 0 BEADMN COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000405034038 369443173 /nfs/dbraw/zinc/44/31/73/369443173.db2.gz QFJHRXTWTWSRSB-NWDGAFQWSA-N 0 1 247.338 2.210 20 0 BEADMN COC(=O)[C@@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC000405034038 369443175 /nfs/dbraw/zinc/44/31/75/369443175.db2.gz QFJHRXTWTWSRSB-NWDGAFQWSA-N 0 1 247.338 2.210 20 0 BEADMN Cc1ncc(CNC2CC(OC(C)(C)C)C2)o1 ZINC000459675383 203335697 /nfs/dbraw/zinc/33/56/97/203335697.db2.gz MDXCIOAUERONQB-UHFFFAOYSA-N 0 1 238.331 2.419 20 0 BEADMN Cn1cc(-c2nc(CN3CCCC3)cs2)cn1 ZINC000060460017 369484821 /nfs/dbraw/zinc/48/48/21/369484821.db2.gz CSOSYGHUYAMFPF-UHFFFAOYSA-N 0 1 248.355 2.139 20 0 BEADMN CC(C)OC1CC(N[C@@H](C)c2ccn(C)n2)C1 ZINC000459739537 203348543 /nfs/dbraw/zinc/34/85/43/203348543.db2.gz DHBKYGGFZKKLNR-UNXYVOJBSA-N 0 1 237.347 2.027 20 0 BEADMN COC[C@@H](CC(C)C)N[C@H](C)c1ccn(C)n1 ZINC000459741176 203349194 /nfs/dbraw/zinc/34/91/94/203349194.db2.gz FELHUQZUEPXBET-VXGBXAGGSA-N 0 1 239.363 2.132 20 0 BEADMN CC(C)CCOCCN[C@@H](C)c1ccn(C)n1 ZINC000459784905 203366979 /nfs/dbraw/zinc/36/69/79/203366979.db2.gz JSILYVBEOAKZRA-LBPRGKRZSA-N 0 1 239.363 2.133 20 0 BEADMN Cc1cccc(CNC(=O)[C@@H]2CCCCN2C)c1 ZINC000082305630 370983568 /nfs/dbraw/zinc/98/35/68/370983568.db2.gz JACJOQRJHSXRQH-AWEZNQCLSA-N 0 1 246.354 2.096 20 0 BEADMN COC(=O)C[N@@H+](C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844432 369617011 /nfs/dbraw/zinc/61/70/11/369617011.db2.gz QGKALTJAEYMNPX-SNVBAGLBSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)CN(C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844432 369617014 /nfs/dbraw/zinc/61/70/14/369617014.db2.gz QGKALTJAEYMNPX-SNVBAGLBSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@]1(C)CCN(Cc2snnc2C)C1 ZINC000567990030 326292477 /nfs/dbraw/zinc/29/24/77/326292477.db2.gz YBJAVWUDWXGDDI-LLVKDONJSA-N 0 1 225.361 2.469 20 0 BEADMN CC1CCN(CC(=O)N[C@@]2(C)CC2(C)C)CC1 ZINC000620079716 369716355 /nfs/dbraw/zinc/71/63/55/369716355.db2.gz VBWDJIQXJXXQTQ-AWEZNQCLSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@H](C2CCC2)C1 ZINC000620209789 369768612 /nfs/dbraw/zinc/76/86/12/369768612.db2.gz MMFCSKHNXUMMRG-NSHDSACASA-N 0 1 233.315 2.062 20 0 BEADMN CN(C)CC(=O)NC1CCC(C2CCC2)CC1 ZINC000620472191 369894684 /nfs/dbraw/zinc/89/46/84/369894684.db2.gz UNYMSVGAIYXJLP-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN COC(=O)c1ccoc1CN(C)[C@H](C)C1CC1 ZINC000252009515 369996702 /nfs/dbraw/zinc/99/67/02/369996702.db2.gz QZUURIPDIJCYLE-SECBINFHSA-N 0 1 237.299 2.297 20 0 BEADMN CC1(C)CC(NC(=O)c2ccc3cncn3c2)C1 ZINC000620736490 369983846 /nfs/dbraw/zinc/98/38/46/369983846.db2.gz UFRQZUFVTYABKC-UHFFFAOYSA-N 0 1 243.310 2.253 20 0 BEADMN C[C@@H](NCc1cncc(Cl)c1)c1cn[nH]c1 ZINC000621278433 370209336 /nfs/dbraw/zinc/20/93/36/370209336.db2.gz OJLKWTJGLAMIOK-MRVPVSSYSA-N 0 1 236.706 2.309 20 0 BEADMN CCN(Cc1cncc(Cl)c1)[C@@H]1CCOC1 ZINC000621296141 370223767 /nfs/dbraw/zinc/22/37/67/370223767.db2.gz IUKVULXXCWOSQY-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@H](N[C@@H](CO)C1CCCC1)c1cscn1 ZINC000309554492 370227334 /nfs/dbraw/zinc/22/73/34/370227334.db2.gz JHTDFCBVPSEVGQ-ONGXEEELSA-N 0 1 240.372 2.345 20 0 BEADMN CCc1ccc(CN(CC)CC(=O)N(C)C)cc1 ZINC000621299255 370227633 /nfs/dbraw/zinc/22/76/33/370227633.db2.gz DGFYXEIRGDBCSC-UHFFFAOYSA-N 0 1 248.370 2.159 20 0 BEADMN CCCCC(=O)CSc1n[nH]c(CC)n1 ZINC000631006760 370205600 /nfs/dbraw/zinc/20/56/00/370205600.db2.gz DQZRNGZWLRUONO-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCCCC(=O)CSc1nc(CC)n[nH]1 ZINC000631006760 370205608 /nfs/dbraw/zinc/20/56/08/370205608.db2.gz DQZRNGZWLRUONO-UHFFFAOYSA-N 0 1 227.333 2.219 20 0 BEADMN CCOc1cncc(CNCc2ccn(C)c2)c1 ZINC000621338800 370271986 /nfs/dbraw/zinc/27/19/86/370271986.db2.gz MLMZPDPSLPMMJU-UHFFFAOYSA-N 0 1 245.326 2.109 20 0 BEADMN CCOc1cncc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000621342857 370276433 /nfs/dbraw/zinc/27/64/33/370276433.db2.gz MDLYFAQBCSMVTI-SNVBAGLBSA-N 0 1 246.314 2.054 20 0 BEADMN c1nc2c(ncnc2N[C@H]2CC3CCC2CC3)[nH]1 ZINC000311090838 370384442 /nfs/dbraw/zinc/38/44/42/370384442.db2.gz QVBUBRGDHBXTCT-RTBKNWGFSA-N 0 1 243.314 2.344 20 0 BEADMN CN(Cc1nc(N)c2ccccc2n1)CC1CC1 ZINC000077194524 370399434 /nfs/dbraw/zinc/39/94/34/370399434.db2.gz XRIXKBRUCKUCMS-UHFFFAOYSA-N 0 1 242.326 2.054 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)C1(C)CCCC1 ZINC000113711490 370455572 /nfs/dbraw/zinc/45/55/72/370455572.db2.gz KMPYETIWVLJLDV-UHFFFAOYSA-N 0 1 249.358 2.347 20 0 BEADMN Cc1nccnc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000621713454 370460698 /nfs/dbraw/zinc/46/06/98/370460698.db2.gz KZFVHCZGWPRHCK-AOOOYVTPSA-N 0 1 237.372 2.111 20 0 BEADMN Cc1nccnc1CN1CCS[C@H](C)[C@H]1C ZINC000621717086 370466268 /nfs/dbraw/zinc/46/62/68/370466268.db2.gz WKSROGOTXUVROC-GHMZBOCLSA-N 0 1 237.372 2.111 20 0 BEADMN CCOc1cncc(CN2CCCCC2)c1 ZINC000621719914 370471117 /nfs/dbraw/zinc/47/11/17/370471117.db2.gz AMXNBIPVIGNYAT-UHFFFAOYSA-N 0 1 220.316 2.466 20 0 BEADMN CCOc1cncc(CN2CC[C@@H]2C2CC2)c1 ZINC000621729333 370481843 /nfs/dbraw/zinc/48/18/43/370481843.db2.gz QMTXLDSFJXRCQU-CQSZACIVSA-N 0 1 232.327 2.465 20 0 BEADMN CO[C@H]1CCN(Cc2nccnc2C)CC1(C)C ZINC000621730242 370483408 /nfs/dbraw/zinc/48/34/08/370483408.db2.gz FOHFRCWUFIKXPT-ZDUSSCGKSA-N 0 1 249.358 2.032 20 0 BEADMN CC[C@H]1c2ccccc2CCN1CC(=O)N(C)C ZINC000114493372 370569070 /nfs/dbraw/zinc/56/90/70/370569070.db2.gz ZAUUKSCJFLDIST-AWEZNQCLSA-N 0 1 246.354 2.084 20 0 BEADMN C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC000621938464 370610186 /nfs/dbraw/zinc/61/01/86/370610186.db2.gz BQQLIFMIDCMNSQ-GHMZBOCLSA-N 0 1 249.358 2.192 20 0 BEADMN CC/C=C\CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000568757667 326375238 /nfs/dbraw/zinc/37/52/38/326375238.db2.gz FRRDRXGROKCWPX-RXNFCKPNSA-N 0 1 211.305 2.139 20 0 BEADMN c1nc2c(s1)CCC[C@H]2N[C@@H]1CCCOC1 ZINC000623889141 371141813 /nfs/dbraw/zinc/14/18/13/371141813.db2.gz FKWBBWJQBFPRLG-NXEZZACHSA-N 0 1 238.356 2.289 20 0 BEADMN CC(C)[C@@H](O)CN[C@H]1CCCc2scnc21 ZINC000623895575 371144466 /nfs/dbraw/zinc/14/44/66/371144466.db2.gz VJILPVPDZNIIJM-UWVGGRQHSA-N 0 1 240.372 2.127 20 0 BEADMN CC[C@H](O)CCN[C@@H](C)c1nc(C)cs1 ZINC000623907248 371146524 /nfs/dbraw/zinc/14/65/24/371146524.db2.gz QMWNQCYXFMKYTA-UWVGGRQHSA-N 0 1 228.361 2.263 20 0 BEADMN c1cnn(CCN[C@@H]2CCCc3scnc32)c1 ZINC000623909909 371150985 /nfs/dbraw/zinc/15/09/85/371150985.db2.gz OLVUTGGCNPQTCA-SNVBAGLBSA-N 0 1 248.355 2.007 20 0 BEADMN CC[C@H](C)[C@@](C)(O)CNCc1nccs1 ZINC000389940094 371182577 /nfs/dbraw/zinc/18/25/77/371182577.db2.gz OIWAMCVFBPPNDM-ONGXEEELSA-N 0 1 228.361 2.030 20 0 BEADMN CCC[C@H](CN[C@H](C)c1ccn(C)n1)OCC ZINC000624050661 371276030 /nfs/dbraw/zinc/27/60/30/371276030.db2.gz FGPUDLALZALRRU-VXGBXAGGSA-N 0 1 239.363 2.276 20 0 BEADMN CCO[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000156013677 371338758 /nfs/dbraw/zinc/33/87/58/371338758.db2.gz XGOBVBNPIVVLSF-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CCC(F)(F)CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000624147624 371342034 /nfs/dbraw/zinc/34/20/34/371342034.db2.gz GMSLGFYXPVDDDF-MWLCHTKSSA-N 0 1 232.318 2.104 20 0 BEADMN COc1cc(CNCc2cn[nH]c2)ccc1C ZINC000624217597 371405427 /nfs/dbraw/zinc/40/54/27/371405427.db2.gz ZEUDTQMPMWHNHE-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN CCC(CC)[C@@H](O)CNCc1nccs1 ZINC000225815845 371579806 /nfs/dbraw/zinc/57/98/06/371579806.db2.gz KUUVVHFKKPWSBE-JTQLQIEISA-N 0 1 228.361 2.030 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)N1CCc2nc[nH]c2C1 ZINC000627370203 371587359 /nfs/dbraw/zinc/58/73/59/371587359.db2.gz QQZBXXKDQWVGIG-SNVBAGLBSA-N 0 1 249.358 2.367 20 0 BEADMN C[C@]1(C(=O)N2CCc3nc[nH]c3C2)CC=CCC1 ZINC000627373315 371592905 /nfs/dbraw/zinc/59/29/05/371592905.db2.gz NVJKNFXTCKUTOX-AWEZNQCLSA-N 0 1 245.326 2.041 20 0 BEADMN CC(C)n1ncnc1CNCCC1(F)CCC1 ZINC000631136304 372204870 /nfs/dbraw/zinc/20/48/70/372204870.db2.gz LQCWKKGBXOJNHH-UHFFFAOYSA-N 0 1 240.326 2.231 20 0 BEADMN CC(C)n1ncnc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631226955 372248811 /nfs/dbraw/zinc/24/88/11/372248811.db2.gz ORRJOBCLODMBGT-AAEUAGOBSA-N 0 1 234.347 2.281 20 0 BEADMN CCCc1ccc(C(=O)NCc2cnc[nH]2)s1 ZINC000631413869 372347118 /nfs/dbraw/zinc/34/71/18/372347118.db2.gz LVUNHPCLGBKDDV-UHFFFAOYSA-N 0 1 249.339 2.354 20 0 BEADMN CCC[C@@H](NC/C=C/CO)c1cc(C)ccn1 ZINC000631645862 372479068 /nfs/dbraw/zinc/47/90/68/372479068.db2.gz BOVSMQUPVUUJJB-MUBLQREKSA-N 0 1 234.343 2.369 20 0 BEADMN CCC[C@@H](NC/C=C\CO)c1cc(C)ccn1 ZINC000631645860 372479764 /nfs/dbraw/zinc/47/97/64/372479764.db2.gz BOVSMQUPVUUJJB-DSYXLKISSA-N 0 1 234.343 2.369 20 0 BEADMN Cc1[nH]ncc1[C@@H](C)Nc1cnn2c1CCCC2 ZINC000631712277 372519316 /nfs/dbraw/zinc/51/93/16/372519316.db2.gz KCWGQUZCAZEFJI-SECBINFHSA-N 0 1 245.330 2.424 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccoc1)[C@@H](O)C(F)(F)F ZINC000631719970 372521848 /nfs/dbraw/zinc/52/18/48/372521848.db2.gz PZMKKMMXGFSBGJ-LKEWCRSYSA-N 0 1 237.221 2.242 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCCn2nccc21 ZINC000631753281 372555109 /nfs/dbraw/zinc/55/51/09/372555109.db2.gz IZUBIVMRGPNHCP-HRDYMLBCSA-N 0 1 245.248 2.258 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccnn1C ZINC000631754049 372555243 /nfs/dbraw/zinc/55/52/43/372555243.db2.gz ZEAMACZBHLMSOY-BWZBUEFSSA-N 0 1 233.237 2.022 20 0 BEADMN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCn2nccc21 ZINC000631809865 372587618 /nfs/dbraw/zinc/58/76/18/372587618.db2.gz OLYHNWDMLBDECI-JOYOIKCWSA-N 0 1 245.330 2.100 20 0 BEADMN O=C(Nc1cccc(Cl)c1O)C1CSC1 ZINC000632143423 372780432 /nfs/dbraw/zinc/78/04/32/372780432.db2.gz VNJSOCVGLSUUPQ-UHFFFAOYSA-N 0 1 243.715 2.347 20 0 BEADMN O=C(CSc1nc(C2CC2)n[nH]1)CC1CC1 ZINC000278702757 182012396 /nfs/dbraw/zinc/01/23/96/182012396.db2.gz KAMATTSVFAPCEH-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN O=C(CSc1n[nH]c(C2CC2)n1)CC1CC1 ZINC000278702757 182012399 /nfs/dbraw/zinc/01/23/99/182012399.db2.gz KAMATTSVFAPCEH-UHFFFAOYSA-N 0 1 237.328 2.143 20 0 BEADMN O=C(Cc1[nH]nc2ccccc21)NCCC1CC1 ZINC000174689190 182059999 /nfs/dbraw/zinc/05/99/99/182059999.db2.gz VWYLQJXPQZHLOO-UHFFFAOYSA-N 0 1 243.310 2.022 20 0 BEADMN C[C@@H]1CCCN(Cc2nccn2C)[C@@H]1C ZINC000172860893 373097754 /nfs/dbraw/zinc/09/77/54/373097754.db2.gz ZADCRQYIFUYDRC-GHMZBOCLSA-N 0 1 207.321 2.041 20 0 BEADMN O=C(NC1CCCC1)c1ccc2cncn2c1 ZINC000077929494 182110843 /nfs/dbraw/zinc/11/08/43/182110843.db2.gz WITXDKVPILGJBI-UHFFFAOYSA-N 0 1 229.283 2.007 20 0 BEADMN O=C(c1c(O)cccc1F)N1CC[C@H]1C(F)F ZINC000633236979 373387618 /nfs/dbraw/zinc/38/76/18/373387618.db2.gz SSMJNPTZZGBIFG-ZETCQYMHSA-N 0 1 245.200 2.011 20 0 BEADMN C[C@@H](Cc1nc(C2(N)CCC2)no1)C(F)(F)F ZINC000634556000 374313946 /nfs/dbraw/zinc/31/39/46/374313946.db2.gz BSIKSNZUYJVOEX-LURJTMIESA-N 0 1 249.236 2.148 20 0 BEADMN CCc1nc(C)c(CN[C@@H]2CCO[C@H]2CC)o1 ZINC000459782330 206015782 /nfs/dbraw/zinc/01/57/82/206015782.db2.gz UKQQMCVGPROCJK-MNOVXSKESA-N 0 1 238.331 2.203 20 0 BEADMN C[C@@H](N[C@H]1CCOC1)c1ccncc1Cl ZINC000421832391 206026475 /nfs/dbraw/zinc/02/64/75/206026475.db2.gz GWJVAKURHNMQPD-BDAKNGLRSA-N 0 1 226.707 2.175 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1ccncc1Cl ZINC000421832394 206026489 /nfs/dbraw/zinc/02/64/89/206026489.db2.gz GWJVAKURHNMQPD-DTWKUNHWSA-N 0 1 226.707 2.175 20 0 BEADMN O=C(NOCC1CC1)c1ccc(O)c(Cl)c1 ZINC000293811775 182282004 /nfs/dbraw/zinc/28/20/04/182282004.db2.gz QQUFRGNZVVYWSP-UHFFFAOYSA-N 0 1 241.674 2.117 20 0 BEADMN O=C(NOC1CCCC1)c1c(O)cccc1F ZINC000228865075 182282365 /nfs/dbraw/zinc/28/23/65/182282365.db2.gz DKEVVGJJYQPXMV-UHFFFAOYSA-N 0 1 239.246 2.135 20 0 BEADMN O=C(N[C@@H]1CC=CCC1)c1ccc2cncn2c1 ZINC000284327281 182290921 /nfs/dbraw/zinc/29/09/21/182290921.db2.gz LFVQELLLRWDQNP-GFCCVEGCSA-N 0 1 241.294 2.173 20 0 BEADMN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)C(F)(F)F ZINC000263699192 182315967 /nfs/dbraw/zinc/31/59/67/182315967.db2.gz RVFOWBMOSZTUFV-RKDXNWHRSA-N 0 1 247.191 2.360 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H]1CC=CCC1 ZINC000268964307 182334298 /nfs/dbraw/zinc/33/42/98/182334298.db2.gz KHWMACZOZNJVQQ-PWSUYJOCSA-N 0 1 245.326 2.260 20 0 BEADMN COCCOC1CN(C[C@H](C)CC(C)C)C1 ZINC000459462545 206129336 /nfs/dbraw/zinc/12/93/36/206129336.db2.gz LFMVSLOKHJROJO-GFCCVEGCSA-N 0 1 229.364 2.016 20 0 BEADMN CC[C@H]1[C@@H](C)CCN1Cc1cc(COC)on1 ZINC000459496384 206130792 /nfs/dbraw/zinc/13/07/92/206130792.db2.gz HCKAERDDVWUPCQ-GWCFXTLKSA-N 0 1 238.331 2.441 20 0 BEADMN CC[C@H]1C[C@H](CNCC(F)F)CCO1 ZINC000459546019 206133914 /nfs/dbraw/zinc/13/39/14/206133914.db2.gz MCSXLHJHRPFTGN-BDAKNGLRSA-N 0 1 207.264 2.046 20 0 BEADMN O=C(Nc1ncc(C(F)(F)F)[nH]1)C1CCC1 ZINC000337663476 182399610 /nfs/dbraw/zinc/39/96/10/182399610.db2.gz UOZHNXLZDJPTOW-UHFFFAOYSA-N 0 1 233.193 2.167 20 0 BEADMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1C[C@H]1C1CC1 ZINC000184619265 182396607 /nfs/dbraw/zinc/39/66/07/182396607.db2.gz ICCBVCMXXYBGKC-UWVGGRQHSA-N 0 1 246.314 2.057 20 0 BEADMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1C[C@H]1C1CC1 ZINC000184619265 182396609 /nfs/dbraw/zinc/39/66/09/182396609.db2.gz ICCBVCMXXYBGKC-UWVGGRQHSA-N 0 1 246.314 2.057 20 0 BEADMN CCOC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000042608439 170215511 /nfs/dbraw/zinc/21/55/11/170215511.db2.gz OGZCVDXTJSNBJN-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1CC(CC[N@@H+](C)CC(=O)[O-])C[C@@H](C)C1 ZINC000178910226 134313178 /nfs/dbraw/zinc/31/31/78/134313178.db2.gz YSYJZJDCQFZFRV-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN OCCCCN1CCc2cc(Cl)ccc2C1 ZINC000192241101 183050593 /nfs/dbraw/zinc/05/05/93/183050593.db2.gz LDCJLBGBNJYPMH-UHFFFAOYSA-N 0 1 239.746 2.471 20 0 BEADMN OCCCCN1CCc2c(Cl)cccc2C1 ZINC000133785577 183051758 /nfs/dbraw/zinc/05/17/58/183051758.db2.gz PSNAYSKNQDDBLF-UHFFFAOYSA-N 0 1 239.746 2.471 20 0 BEADMN OCCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000368334491 183051773 /nfs/dbraw/zinc/05/17/73/183051773.db2.gz VOFYMZBVTVANBL-AWEZNQCLSA-N 0 1 241.375 2.040 20 0 BEADMN OCCN(Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000271079262 183068291 /nfs/dbraw/zinc/06/82/91/183068291.db2.gz QHDSSMSKULTBAC-UHFFFAOYSA-N 0 1 245.244 2.061 20 0 BEADMN OCC[C@H](NCCF)c1ccc(Cl)cc1 ZINC000308958343 183097550 /nfs/dbraw/zinc/09/75/50/183097550.db2.gz YCEDINPFUBIZJP-NSHDSACASA-N 0 1 231.698 2.323 20 0 BEADMN OCC[C@H](NC/C=C/Cl)c1ccccc1 ZINC000271783108 183097574 /nfs/dbraw/zinc/09/75/74/183097574.db2.gz PMPHLLJPRQCQIY-GXWOQWCDSA-N 0 1 225.719 2.452 20 0 BEADMN OCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000111997466 183089799 /nfs/dbraw/zinc/08/97/99/183089799.db2.gz QTHVCNWGHGONKQ-UHFFFAOYSA-N 0 1 228.704 2.301 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccc(F)cc1F ZINC000336698320 183093090 /nfs/dbraw/zinc/09/30/90/183093090.db2.gz JTMPSUXZIQFNLE-LBPRGKRZSA-N 0 1 241.281 2.312 20 0 BEADMN OC[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000050114009 183119658 /nfs/dbraw/zinc/11/96/58/183119658.db2.gz OWCLYKGFAPCMCO-QMMMGPOBSA-N 0 1 231.748 2.358 20 0 BEADMN OC[C@@H](CC(F)(F)F)NCc1ccsc1 ZINC000336742380 183103397 /nfs/dbraw/zinc/10/33/97/183103397.db2.gz WXZSKJSGDDCCAJ-MRVPVSSYSA-N 0 1 239.262 2.151 20 0 BEADMN OC[C@@H](CC(F)F)NCc1ccc(Cl)o1 ZINC000336662715 183104293 /nfs/dbraw/zinc/10/42/93/183104293.db2.gz CGHDXULWEIFPMS-ZCFIWIBFSA-N 0 1 239.649 2.039 20 0 BEADMN OC[C@@H](NCCC(F)(F)F)c1ccsc1 ZINC000308958934 183107821 /nfs/dbraw/zinc/10/78/21/183107821.db2.gz YIANPNWJLZETOZ-MRVPVSSYSA-N 0 1 239.262 2.324 20 0 BEADMN CCCCc1cc(NC(=O)c2cn[nH]c2C)n[nH]1 ZINC000175772607 169018013 /nfs/dbraw/zinc/01/80/13/169018013.db2.gz NKPWGDSALSVTTQ-UHFFFAOYSA-N 0 1 247.302 2.036 20 0 BEADMN OC[C@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000273162328 183138896 /nfs/dbraw/zinc/13/88/96/183138896.db2.gz ZUMNRJUMJVKBFD-VJLMDBHNSA-N 0 1 229.682 2.201 20 0 BEADMN OC[C@H]1CN(Cc2ccsc2)CCC1(F)F ZINC000291333747 183154902 /nfs/dbraw/zinc/15/49/02/183154902.db2.gz UWPUIPNHUAMCLF-SNVBAGLBSA-N 0 1 247.310 2.198 20 0 BEADMN OC[C@]1(F)CCCN(CC2=CCCCC2)C1 ZINC000335573149 183157825 /nfs/dbraw/zinc/15/78/25/183157825.db2.gz ZSXPNTJGVVCJNN-ZDUSSCGKSA-N 0 1 227.323 2.283 20 0 BEADMN CCCN(C(=O)c1ccc2cncn2c1)C1CC1 ZINC000283269162 169048035 /nfs/dbraw/zinc/04/80/35/169048035.db2.gz AQRAMCNFGZYVEI-UHFFFAOYSA-N 0 1 243.310 2.349 20 0 BEADMN O[C@@H](CN[C@H]1CCCc2occc21)C(F)(F)F ZINC000219258269 183181106 /nfs/dbraw/zinc/18/11/06/183181106.db2.gz FYLHNZVDWYIRQO-WPRPVWTQSA-N 0 1 249.232 2.170 20 0 BEADMN O[C@@H](CNCc1sccc1Cl)C(F)F ZINC000336683506 183181231 /nfs/dbraw/zinc/18/12/31/183181231.db2.gz JBMOIDMCWOCCRI-LURJTMIESA-N 0 1 241.690 2.117 20 0 BEADMN O[C@@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 ZINC000292898118 183194052 /nfs/dbraw/zinc/19/40/52/183194052.db2.gz AEYCRUZZFNSJHG-LLVKDONJSA-N 0 1 241.281 2.312 20 0 BEADMN CCCN(C)Cc1c(C)nc2sc(C)nn12 ZINC000271031124 169080753 /nfs/dbraw/zinc/08/07/53/169080753.db2.gz GTTNZEWMAJDHSJ-UHFFFAOYSA-N 0 1 238.360 2.249 20 0 BEADMN CCC[N@@H+](C/C=C/c1ccccc1)CC(=O)[O-] ZINC000038021594 169089855 /nfs/dbraw/zinc/08/98/55/169089855.db2.gz GIKKFJJANADFMK-RMKNXTFCSA-N 0 1 233.311 2.496 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000083662990 169098500 /nfs/dbraw/zinc/09/85/00/169098500.db2.gz GVDGAMJTSQBBID-CYBMUJFWSA-N 0 1 233.311 2.471 20 0 BEADMN CCC[N@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000038021949 169099433 /nfs/dbraw/zinc/09/94/33/169099433.db2.gz UKXXXZAZTBULEV-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000038021949 169099434 /nfs/dbraw/zinc/09/94/34/169099434.db2.gz UKXXXZAZTBULEV-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1F ZINC000050885394 169099564 /nfs/dbraw/zinc/09/95/64/169099564.db2.gz LLJWPNDAHFAMGP-UHFFFAOYSA-N 0 1 243.253 2.261 20 0 BEADMN CCCN(CC)C(=O)c1ccc(F)cc1O ZINC000228307693 169118850 /nfs/dbraw/zinc/11/88/50/169118850.db2.gz LLKLEFPHJMIDTK-UHFFFAOYSA-N 0 1 225.263 2.403 20 0 BEADMN CCCN(CC)CC(=O)Nc1ccccc1 ZINC000299383330 169121846 /nfs/dbraw/zinc/12/18/46/169121846.db2.gz OQANJVDQLNFYTF-UHFFFAOYSA-N 0 1 220.316 2.357 20 0 BEADMN Cc1cnc(NC(=O)c2cccc3c[nH]nc32)o1 ZINC001643957659 1172516108 /nfs/dbraw/zinc/51/61/08/1172516108.db2.gz JVJAKGYCPUURHR-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN Oc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1 ZINC000021503541 183266518 /nfs/dbraw/zinc/26/65/18/183266518.db2.gz AYNUWZZHCURFOX-LLVKDONJSA-N 0 1 245.282 2.257 20 0 BEADMN CCCN(CCC)[C@@H](C)C(=O)OCC ZINC000043638469 169150992 /nfs/dbraw/zinc/15/09/92/169150992.db2.gz DBKOAMIGSHZPIS-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN CCCN(CC1CC1)C(=O)c1coc(CN)c1 ZINC000187201357 169136363 /nfs/dbraw/zinc/13/63/63/169136363.db2.gz AAEOIHPUEBNLKL-UHFFFAOYSA-N 0 1 236.315 2.001 20 0 BEADMN CCC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000034537215 169139687 /nfs/dbraw/zinc/13/96/87/169139687.db2.gz OMLKBPXWZLIABU-UHFFFAOYSA-N 0 1 221.300 2.373 20 0 BEADMN [O-]c1cccc(C[NH2+][C@H]2CCCOC2)c1Cl ZINC000293020758 183292138 /nfs/dbraw/zinc/29/21/38/183292138.db2.gz QRLXXTQXYVPRFH-JTQLQIEISA-N 0 1 241.718 2.314 20 0 BEADMN Oc1cccc2c1CCC[C@H]2NCCF ZINC000276841361 183296032 /nfs/dbraw/zinc/29/60/32/183296032.db2.gz RYWGJAZCSCTOFD-LLVKDONJSA-N 0 1 209.264 2.329 20 0 BEADMN CCCN1CCCC[C@H]1c1nc(C)no1 ZINC000335945118 169191951 /nfs/dbraw/zinc/19/19/51/169191951.db2.gz UOOHNLWJDQBQLA-JTQLQIEISA-N 0 1 209.293 2.315 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339672365 183325912 /nfs/dbraw/zinc/32/59/12/183325912.db2.gz BFEFQBLWAUDORM-NSHDSACASA-N 0 1 205.305 2.032 20 0 BEADMN CCCN1CCCN(CCCCCF)CC1=O ZINC000375272844 169192827 /nfs/dbraw/zinc/19/28/27/169192827.db2.gz UGCZOFNIOUPUMH-UHFFFAOYSA-N 0 1 244.354 2.071 20 0 BEADMN c1c[nH]c([C@@H](N[C@H]2CCOC2)C2CCCCC2)n1 ZINC000353629377 183327250 /nfs/dbraw/zinc/32/72/50/183327250.db2.gz FOGJTIHBEKCVSB-STQMWFEESA-N 0 1 249.358 2.410 20 0 BEADMN CCCN1CCC[C@H]1C(=O)Nc1cnccc1C ZINC000355013418 169199870 /nfs/dbraw/zinc/19/98/70/169199870.db2.gz POUSPUMRKOUGEJ-ZDUSSCGKSA-N 0 1 247.342 2.203 20 0 BEADMN CCCN1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC000356470119 169201136 /nfs/dbraw/zinc/20/11/36/169201136.db2.gz ZPBBAIYRQHYWQB-OLZOCXBDSA-N 0 1 240.391 2.223 20 0 BEADMN CCCN1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC000352436044 169201278 /nfs/dbraw/zinc/20/12/78/169201278.db2.gz XUIMHGZWWJLHNA-ZDUSSCGKSA-N 0 1 240.391 2.367 20 0 BEADMN CCCN(Cc1ccoc1C(=O)OC)C1CC1 ZINC000171680790 169179171 /nfs/dbraw/zinc/17/91/71/169179171.db2.gz BNTMMCTUHXETOG-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN c1cc(CN2CCC3(CCC3)CC2)no1 ZINC000368602613 183339564 /nfs/dbraw/zinc/33/95/64/183339564.db2.gz KIIKFQPVRXKHOX-UHFFFAOYSA-N 0 1 206.289 2.441 20 0 BEADMN CCCNC(=O)CN[C@H](C)c1ccc(F)cc1 ZINC000035138373 169228949 /nfs/dbraw/zinc/22/89/49/169228949.db2.gz XBDVDEDTGKWDBB-SNVBAGLBSA-N 0 1 238.306 2.003 20 0 BEADMN CCCNC(=O)CN[C@H](C)c1csc(C)c1 ZINC000294106328 169229462 /nfs/dbraw/zinc/22/94/62/169229462.db2.gz CMEHISKINSAAES-SNVBAGLBSA-N 0 1 240.372 2.233 20 0 BEADMN c1cc(CN2CC[C@@H](Cc3ccncc3)C2)no1 ZINC000359871479 183355568 /nfs/dbraw/zinc/35/55/68/183355568.db2.gz NAEWSAJFRPIJPZ-ZDUSSCGKSA-N 0 1 243.310 2.134 20 0 BEADMN c1cc([C@@H]2CCCN2C[C@H]2CCCCO2)n[nH]1 ZINC000336629065 183360328 /nfs/dbraw/zinc/36/03/28/183360328.db2.gz AQKQPWVEKIVAEL-YPMHNXCESA-N 0 1 235.331 2.116 20 0 BEADMN CCCOc1ccc(NC(=O)CN)cc1Cl ZINC000037768603 169320305 /nfs/dbraw/zinc/32/03/05/169320305.db2.gz TXQDUVUTADCRKA-UHFFFAOYSA-N 0 1 242.706 2.026 20 0 BEADMN CCC[C@@H](C)c1cc(NS(=O)(=O)CC)n[nH]1 ZINC000152845796 169374027 /nfs/dbraw/zinc/37/40/27/169374027.db2.gz TZVBZUNVKTYNQM-MRVPVSSYSA-N 0 1 245.348 2.075 20 0 BEADMN CCC[C@@H](CC)[S@@](=O)Cc1n[nH]c(CC)n1 ZINC000359394179 169381465 /nfs/dbraw/zinc/38/14/65/169381465.db2.gz QQEPQUIYSBUIOM-ABKXIKBNSA-N 0 1 243.376 2.195 20 0 BEADMN CCC[C@@H](NCC(=O)NC(C)C)c1cccnc1 ZINC000184895942 169399976 /nfs/dbraw/zinc/39/99/76/169399976.db2.gz UVMHDJBMIXOTFE-CYBMUJFWSA-N 0 1 249.358 2.037 20 0 BEADMN CCOC1CC(NCc2nc(C)c(C)s2)C1 ZINC000224411043 134346831 /nfs/dbraw/zinc/34/68/31/134346831.db2.gz SGMVHHHWMBIHHU-UHFFFAOYSA-N 0 1 240.372 2.417 20 0 BEADMN CC(C)(C)OCCN[C@H](CCO)c1ccco1 ZINC000185098970 166681100 /nfs/dbraw/zinc/68/11/00/166681100.db2.gz DVFQTWFGCIAXLS-LLVKDONJSA-N 0 1 241.331 2.108 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]2C2CC2)s1 ZINC000680051293 487528314 /nfs/dbraw/zinc/52/83/14/487528314.db2.gz NMLLSWXWAVLWKD-SNVBAGLBSA-N 0 1 237.372 2.475 20 0 BEADMN C[C@@H](NCc1ncc(Cl)s1)[C@@H]1CCCO1 ZINC000225312489 134354343 /nfs/dbraw/zinc/35/43/43/134354343.db2.gz LMELYFBMVQJGEJ-SFYZADRCSA-N 0 1 246.763 2.454 20 0 BEADMN COCC[C@H](C)NCc1ncc(Cl)s1 ZINC000225334942 134354884 /nfs/dbraw/zinc/35/48/84/134354884.db2.gz YQXDUJKNRAQIIN-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN CC[C@@H]1CN(CCC(C)C)C[C@H](C)[S@]1=O ZINC000352872882 171079474 /nfs/dbraw/zinc/07/94/74/171079474.db2.gz XMMFVBVTHGIPTH-YWPYICTPSA-N 0 1 231.405 2.264 20 0 BEADMN Cc1cccc([C@H]2CCCN2CC2=NOCC2)n1 ZINC001644779107 1172608894 /nfs/dbraw/zinc/60/88/94/1172608894.db2.gz VOVYPSINXWULNW-CQSZACIVSA-N 0 1 245.326 2.303 20 0 BEADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ncc[nH]1 ZINC000185199681 134372889 /nfs/dbraw/zinc/37/28/89/134372889.db2.gz VOELIZVWLKIKBC-NWDGAFQWSA-N 0 1 237.347 2.093 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2CO)sc1C ZINC000087396286 383837734 /nfs/dbraw/zinc/83/77/34/383837734.db2.gz FRXLNJMCYPJALE-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN CC(C)(C)c1csc(CN[C@H]2CCOC2)n1 ZINC000087416106 383838194 /nfs/dbraw/zinc/83/81/94/383838194.db2.gz UJWUGRCLBMNJNV-VIFPVBQESA-N 0 1 240.372 2.319 20 0 BEADMN CC1(C)CC(Cc2nc([C@@H]3CCCN3)no2)C1 ZINC000647144906 383839573 /nfs/dbraw/zinc/83/95/73/383839573.db2.gz IZKDQESZYIIGPK-JTQLQIEISA-N 0 1 235.331 2.473 20 0 BEADMN c1nc(C2CC2)c(-c2nc([C@H]3CCCN3)no2)o1 ZINC000647145265 383839776 /nfs/dbraw/zinc/83/97/76/383839776.db2.gz RMODNYSFZAMBAK-MRVPVSSYSA-N 0 1 246.270 2.027 20 0 BEADMN c1cc(-c2nc([C@@H]3CCCN3)no2)c(C2CC2)[nH]1 ZINC000647145177 383843167 /nfs/dbraw/zinc/84/31/67/383843167.db2.gz PLGVLOWZTMGPLK-JTQLQIEISA-N 0 1 244.298 2.367 20 0 BEADMN C(=C\c1nc([C@H]2CCCN2)no1)\c1cncs1 ZINC000647145224 383843201 /nfs/dbraw/zinc/84/32/01/383843201.db2.gz QMNCOAGLROQRAN-ZBJFTSOASA-N 0 1 248.311 2.121 20 0 BEADMN C/C=C(\CC)c1nc([C@H]2CCCN2)no1 ZINC000647145972 383847326 /nfs/dbraw/zinc/84/73/26/383847326.db2.gz JXBZWWGLSPQMMU-QZGLAHODSA-N 0 1 207.277 2.307 20 0 BEADMN C1CN[C@@H](c2noc(C34CCC(CC3)C4)n2)C1 ZINC000647147198 383872826 /nfs/dbraw/zinc/87/28/26/383872826.db2.gz MVKLBUNVOLVPNN-RUETXSTFSA-N 0 1 233.315 2.326 20 0 BEADMN FC(F)(F)CCCc1nc([C@@H]2CCCN2)no1 ZINC000647147094 383874689 /nfs/dbraw/zinc/87/46/89/383874689.db2.gz KACBZZMEJVRBTF-ZETCQYMHSA-N 0 1 249.236 2.379 20 0 BEADMN CC[C@H](C)CCc1nc([C@@H]2CCCN2)no1 ZINC000647144631 383831876 /nfs/dbraw/zinc/83/18/76/383831876.db2.gz CBYJXDUGCDQYIT-UWVGGRQHSA-N 0 1 223.320 2.473 20 0 BEADMN Cc1cc(C)c(-c2nc([C@H]3CCCN3)no2)o1 ZINC000647149406 383913431 /nfs/dbraw/zinc/91/34/31/383913431.db2.gz LIGLQAHALBVVRJ-SECBINFHSA-N 0 1 233.271 2.371 20 0 BEADMN Cn1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC000560133621 383920509 /nfs/dbraw/zinc/92/05/09/383920509.db2.gz JODNJKGXONZSJV-UONOGXRCSA-N 0 1 231.343 2.041 20 0 BEADMN C(=C\c1nc([C@@H]2CCCN2)no1)\c1cscn1 ZINC000647150659 383923181 /nfs/dbraw/zinc/92/31/81/383923181.db2.gz KZTXEJJSFPAJIE-TYRPZCRBSA-N 0 1 248.311 2.121 20 0 BEADMN CC[C@@H]1CC[C@H](c2nc([C@@H]3CCCN3)no2)O1 ZINC000647148241 383887842 /nfs/dbraw/zinc/88/78/42/383887842.db2.gz JYMBKPMUOHHMSX-KXUCPTDWSA-N 0 1 237.303 2.124 20 0 BEADMN Cc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)n[nH]1 ZINC000336442518 383889529 /nfs/dbraw/zinc/88/95/29/383889529.db2.gz KDTZGLATRICDLQ-IINYFYTJSA-N 0 1 247.342 2.370 20 0 BEADMN CC[C@@H]1CC[C@@H](c2nc([C@H]3CCCN3)no2)O1 ZINC000647148240 383890247 /nfs/dbraw/zinc/89/02/47/383890247.db2.gz JYMBKPMUOHHMSX-BBBLOLIVSA-N 0 1 237.303 2.124 20 0 BEADMN C1=CC[C@@H](c2nc([C@@H]3CCCN3)no2)CC1 ZINC000647148171 383891335 /nfs/dbraw/zinc/89/13/35/383891335.db2.gz ILELJGBSMCSCOL-ZJUUUORDSA-N 0 1 219.288 2.318 20 0 BEADMN CCn1nnc(C)c1CN1CC(C)(C)[C@H]1C1CC1 ZINC000449337034 383891567 /nfs/dbraw/zinc/89/15/67/383891567.db2.gz PAKGWQZHEWQWKE-CYBMUJFWSA-N 0 1 248.374 2.227 20 0 BEADMN COc1ccc([C@H](C)NC(=O)C(F)(F)F)cc1 ZINC000112020856 383892590 /nfs/dbraw/zinc/89/25/90/383892590.db2.gz RVTFOFAADXUPNJ-ZETCQYMHSA-N 0 1 247.216 2.435 20 0 BEADMN Cc1noc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000070234061 383894835 /nfs/dbraw/zinc/89/48/35/383894835.db2.gz HSFATVZQFUSURV-ATZCPNFKSA-N 0 1 223.320 2.292 20 0 BEADMN CCN(CCOCC1CC1)Cc1ccccn1 ZINC000119858271 383903248 /nfs/dbraw/zinc/90/32/48/383903248.db2.gz KYBVCXRWLGBWMW-UHFFFAOYSA-N 0 1 234.343 2.330 20 0 BEADMN CC1(C)CCCN(Cc2cn3cccnc3n2)C1 ZINC000112702726 383945603 /nfs/dbraw/zinc/94/56/03/383945603.db2.gz WHROSXUJXCTTGX-UHFFFAOYSA-N 0 1 244.342 2.351 20 0 BEADMN CC(C)(C)c1n[nH]c(SCC(F)F)n1 ZINC000112770850 383949285 /nfs/dbraw/zinc/94/92/85/383949285.db2.gz ULQGZHFETMPXGW-UHFFFAOYSA-N 0 1 221.276 2.459 20 0 BEADMN CC(C)(C)c1nc(SCC(F)F)n[nH]1 ZINC000112770850 383949293 /nfs/dbraw/zinc/94/92/93/383949293.db2.gz ULQGZHFETMPXGW-UHFFFAOYSA-N 0 1 221.276 2.459 20 0 BEADMN CC(C)(C)[C@@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000336460117 383952229 /nfs/dbraw/zinc/95/22/29/383952229.db2.gz IOYWOGRHGYMNTP-OLZOCXBDSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H](NC[C@H]1CCCCO1)c1nccs1 ZINC000070733080 383962022 /nfs/dbraw/zinc/96/20/22/383962022.db2.gz OUGRQODZSNGARK-VHSXEESVSA-N 0 1 226.345 2.363 20 0 BEADMN Cc1nnsc1CNCC1=CCCC1 ZINC000401124217 383964114 /nfs/dbraw/zinc/96/41/14/383964114.db2.gz PQTNBAJEPSIHHN-UHFFFAOYSA-N 0 1 209.318 2.046 20 0 BEADMN CCSCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000345366115 383972609 /nfs/dbraw/zinc/97/26/09/383972609.db2.gz YXSQYDWMWPVUNJ-UWVGGRQHSA-N 0 1 225.361 2.232 20 0 BEADMN Cc1ccc(CN(C)C[C@H](O)C(F)(F)F)cc1 ZINC000068875546 384018591 /nfs/dbraw/zinc/01/85/91/384018591.db2.gz WIEIHBXARDBHBX-NSHDSACASA-N 0 1 247.260 2.350 20 0 BEADMN CCc1noc(C)c1-c1nc([C@@H]2CCCN2)no1 ZINC000647155452 384021808 /nfs/dbraw/zinc/02/18/08/384021808.db2.gz ZTEXEQGXTOPPDD-VIFPVBQESA-N 0 1 248.286 2.020 20 0 BEADMN CC(C)[C@@](C)(O)CN[C@@H](C)c1nccs1 ZINC000091723801 384022203 /nfs/dbraw/zinc/02/22/03/384022203.db2.gz ZTZYHLVBOSUCJO-ONGXEEELSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000235902844 384047221 /nfs/dbraw/zinc/04/72/21/384047221.db2.gz IGIAIGHTCOZYKS-GFCCVEGCSA-N 0 1 237.274 2.183 20 0 BEADMN CCC[C@H](CNCc1nc(C)cs1)OC ZINC000293772051 384035376 /nfs/dbraw/zinc/03/53/76/384035376.db2.gz VYSPPSXKMUWOHQ-SNVBAGLBSA-N 0 1 228.361 2.356 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nccs2)C1(C)C ZINC000227826135 134389259 /nfs/dbraw/zinc/38/92/59/134389259.db2.gz QBNYXPJTBBIESC-RKDXNWHRSA-N 0 1 226.345 2.046 20 0 BEADMN c1cc(CNCCSc2ccccc2)n[nH]1 ZINC000037904187 384040209 /nfs/dbraw/zinc/04/02/09/384040209.db2.gz HMRNFTWMNXOLLR-UHFFFAOYSA-N 0 1 233.340 2.292 20 0 BEADMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)[O-] ZINC000075924556 384042294 /nfs/dbraw/zinc/04/22/94/384042294.db2.gz HUUCCVFSHOPCCM-SECBINFHSA-N 0 1 241.718 2.287 20 0 BEADMN CCC[C@@H](C)[C@@H](CC)NCc1ncn(C)n1 ZINC000090969422 384084799 /nfs/dbraw/zinc/08/47/99/384084799.db2.gz CYIXOGPCPFJOPO-GHMZBOCLSA-N 0 1 224.352 2.120 20 0 BEADMN CCC[C@H](C)[C@H](CC)NCc1ncn(C)n1 ZINC000090969425 384087061 /nfs/dbraw/zinc/08/70/61/384087061.db2.gz CYIXOGPCPFJOPO-QWRGUYRKSA-N 0 1 224.352 2.120 20 0 BEADMN Clc1cccnc1NCCN1CCCC1 ZINC000049933864 384071593 /nfs/dbraw/zinc/07/15/93/384071593.db2.gz GHNGMDQPFLKGJZ-UHFFFAOYSA-N 0 1 225.723 2.243 20 0 BEADMN O=C(/C=C\SCc1ccco1)Nc1cn[nH]c1 ZINC000255071052 384073992 /nfs/dbraw/zinc/07/39/92/384073992.db2.gz ZDEZGRHNIQCYSO-HYXAFXHYSA-N 0 1 249.295 2.388 20 0 BEADMN Cc1c(CN[C@@H](C)c2cncc(F)c2)cnn1C ZINC000090887700 384081238 /nfs/dbraw/zinc/08/12/38/384081238.db2.gz ZBGWNDSIOBJTKH-VIFPVBQESA-N 0 1 248.305 2.113 20 0 BEADMN C[C@@H](CCc1ccco1)NC(=O)C(F)(F)F ZINC000070266819 384096639 /nfs/dbraw/zinc/09/66/39/384096639.db2.gz JGZKCUWZZOAWKR-ZETCQYMHSA-N 0 1 235.205 2.279 20 0 BEADMN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccccn1 ZINC000310247608 384099506 /nfs/dbraw/zinc/09/95/06/384099506.db2.gz NHSJFFKCHNQCFE-SCZZXKLOSA-N 0 1 248.248 2.046 20 0 BEADMN O=C(C1=CCCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336543984 384101356 /nfs/dbraw/zinc/10/13/56/384101356.db2.gz WGFQBXOOOJDFTA-AWEZNQCLSA-N 0 1 248.370 2.184 20 0 BEADMN C[C@H](NC[C@H](O)C(C)(C)C)c1nccs1 ZINC000091724075 384106287 /nfs/dbraw/zinc/10/62/87/384106287.db2.gz AARLDXQWKOFRGD-IUCAKERBSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H](NC[C@@H](O)C(C)(C)C)c1nccs1 ZINC000091724078 384106664 /nfs/dbraw/zinc/10/66/64/384106664.db2.gz AARLDXQWKOFRGD-RKDXNWHRSA-N 0 1 228.361 2.201 20 0 BEADMN C[C@@H](N[C@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070733257 384134065 /nfs/dbraw/zinc/13/40/65/384134065.db2.gz BUZJDGNTWJABAY-UTLUCORTSA-N 0 1 226.345 2.097 20 0 BEADMN CN(CCOCc1ccccc1)Cc1cnc[nH]1 ZINC000091937023 384152842 /nfs/dbraw/zinc/15/28/42/384152842.db2.gz WZHIXTPUUNLHJY-UHFFFAOYSA-N 0 1 245.326 2.058 20 0 BEADMN C[C@H](N[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000070965920 384142754 /nfs/dbraw/zinc/14/27/54/384142754.db2.gz WEQFGKUAYPIQHX-WCBMZHEXSA-N 0 1 227.254 2.404 20 0 BEADMN COc1ccc2c(c1)CN(CC1CC1)CCO2 ZINC000449519544 384175749 /nfs/dbraw/zinc/17/57/49/384175749.db2.gz BRCWPSBLKFUPQJ-UHFFFAOYSA-N 0 1 233.311 2.300 20 0 BEADMN C[N@@H+](CCC1CC1)Cc1cc(C(N)=O)cs1 ZINC000092067220 384162714 /nfs/dbraw/zinc/16/27/14/384162714.db2.gz ZRYNCKFSHJWZHB-UHFFFAOYSA-N 0 1 238.356 2.079 20 0 BEADMN CC(C)[C@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000117196025 384164678 /nfs/dbraw/zinc/16/46/78/384164678.db2.gz JGZWCAHUTHPBJE-LLVKDONJSA-N 0 1 221.304 2.060 20 0 BEADMN C[C@]12CCCC[C@H]1C[N@H+]2CCn1ccccc1=O ZINC000626103587 384169030 /nfs/dbraw/zinc/16/90/30/384169030.db2.gz HCHNYQWKJYBFLU-ZFWWWQNUSA-N 0 1 246.354 2.113 20 0 BEADMN COCCCN(C)Cc1cnc(C2CC2)s1 ZINC000092537426 384184663 /nfs/dbraw/zinc/18/46/63/384184663.db2.gz ZZZCOTIYOMZQHB-UHFFFAOYSA-N 0 1 240.372 2.489 20 0 BEADMN CC(C)C[C@@H]1CCN(Cc2nccn2C)C1 ZINC000074994003 384177664 /nfs/dbraw/zinc/17/76/64/384177664.db2.gz QGYUZUKHOTXUCZ-LBPRGKRZSA-N 0 1 221.348 2.288 20 0 BEADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2(C)CCC2)C1 ZINC000334598666 384180280 /nfs/dbraw/zinc/18/02/80/384180280.db2.gz WVLBYODBFAJACE-QWRGUYRKSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H](O)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368209 384232969 /nfs/dbraw/zinc/23/29/69/384232969.db2.gz DLUGITCDKLCHDX-BDAKNGLRSA-N 0 1 240.372 2.053 20 0 BEADMN Cn1cccc1C(=O)CN1CCC[C@@H]1C1CC1 ZINC000363384300 384235253 /nfs/dbraw/zinc/23/52/53/384235253.db2.gz IVCODVQYGVGWGM-GFCCVEGCSA-N 0 1 232.327 2.082 20 0 BEADMN COCc1ccc(CN2CCO[C@H](C)[C@H]2C)cc1 ZINC000093418049 384235780 /nfs/dbraw/zinc/23/57/80/384235780.db2.gz HSTZZKOEHVTQBL-CHWSQXEVSA-N 0 1 249.354 2.442 20 0 BEADMN C(c1nc(C2CC2)no1)N1CCC[C@H]1C1CC1 ZINC000363384860 384236543 /nfs/dbraw/zinc/23/65/43/384236543.db2.gz QORBMVVPCUFPAJ-NSHDSACASA-N 0 1 233.315 2.321 20 0 BEADMN CC(C)[C@H](C(=O)Nc1ccsc1)N(C)C ZINC000118678927 384208820 /nfs/dbraw/zinc/20/88/20/384208820.db2.gz QLLKZWKVNBLWCZ-SNVBAGLBSA-N 0 1 226.345 2.273 20 0 BEADMN CN(Cc1cc(F)cc(F)c1)[C@H]1CCOC1 ZINC000132022182 384210518 /nfs/dbraw/zinc/21/05/18/384210518.db2.gz UWJFVIBSPBBMQU-LBPRGKRZSA-N 0 1 227.254 2.186 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CCOC2)o1 ZINC000132093615 384215833 /nfs/dbraw/zinc/21/58/33/384215833.db2.gz PSDUHHPFTZTZSN-SNVBAGLBSA-N 0 1 209.289 2.063 20 0 BEADMN CCCc1ccc(C(=O)N2CC(N(C)C)C2)cc1 ZINC000158276862 384215745 /nfs/dbraw/zinc/21/57/45/384215745.db2.gz HFLVKHZMODRICD-UHFFFAOYSA-N 0 1 246.354 2.025 20 0 BEADMN Fc1cc(Cl)ccc1CN[C@H]1CCOC1 ZINC000133044153 384216179 /nfs/dbraw/zinc/21/61/79/384216179.db2.gz OXCLAKUDOZYFPP-JTQLQIEISA-N 0 1 229.682 2.358 20 0 BEADMN CCOCCNC(C)(C)c1nccs1 ZINC000173423447 384217874 /nfs/dbraw/zinc/21/78/74/384217874.db2.gz IXQOAQDSIGISIQ-UHFFFAOYSA-N 0 1 214.334 2.004 20 0 BEADMN Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)[O-])cc1 ZINC000082249559 384219851 /nfs/dbraw/zinc/21/98/51/384219851.db2.gz PGRISZKPHHWOGR-SNVBAGLBSA-N 0 1 207.273 2.072 20 0 BEADMN CCc1ccc(CN(C)Cc2nnc[nH]2)s1 ZINC000560554796 384221134 /nfs/dbraw/zinc/22/11/34/384221134.db2.gz KCUCAJZHPMZYFG-UHFFFAOYSA-N 0 1 236.344 2.061 20 0 BEADMN CC[C@@H]1C[N@@H+](CCCCCC(=O)[O-])CCS1 ZINC000133107296 384224237 /nfs/dbraw/zinc/22/42/37/384224237.db2.gz JYAZOLPWHTZENP-LLVKDONJSA-N 0 1 245.388 2.459 20 0 BEADMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(F)cc1 ZINC000158560187 384243625 /nfs/dbraw/zinc/24/36/25/384243625.db2.gz ZWXFKPSUVZSCAX-HWPZZCPQSA-N 0 1 243.347 2.025 20 0 BEADMN C[C@H]1OCC[C@]12C[N@@H+](CC1CCCC1)CCO2 ZINC000336620961 384244145 /nfs/dbraw/zinc/24/41/45/384244145.db2.gz MNUWPKPZAYSUMO-OCCSQVGLSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@@H]1OCC[C@@]12C[N@@H+](CC1CCCC1)CCO2 ZINC000336620959 384244551 /nfs/dbraw/zinc/24/45/51/384244551.db2.gz MNUWPKPZAYSUMO-GXTWGEPZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@H]1CN(Cc2cnn(CC)c2)CCS1 ZINC000093502072 384244698 /nfs/dbraw/zinc/24/46/98/384244698.db2.gz NWTKUKSWMVLNCY-LBPRGKRZSA-N 0 1 239.388 2.230 20 0 BEADMN C[C@@H]1OCC[C@]12C[N@@H+](CC1CCCC1)CCO2 ZINC000336620960 384245192 /nfs/dbraw/zinc/24/51/92/384245192.db2.gz MNUWPKPZAYSUMO-JSGCOSHPSA-N 0 1 239.359 2.056 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000530964232 384246390 /nfs/dbraw/zinc/24/63/90/384246390.db2.gz NJEAOUIWJSHCIL-VIFPVBQESA-N 0 1 245.282 2.294 20 0 BEADMN C[C@H](C[S@@](C)=O)N(C)Cc1cccc(F)c1 ZINC000158563753 384246635 /nfs/dbraw/zinc/24/66/35/384246635.db2.gz VQDFDGOQCBQXGO-HWPZZCPQSA-N 0 1 243.347 2.025 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1NCc1cscn1 ZINC000082625987 384249338 /nfs/dbraw/zinc/24/93/38/384249338.db2.gz HIBXAJOFTCRTOX-WDEREUQCSA-N 0 1 226.345 2.190 20 0 BEADMN Cc1c(CN2CCc3ccsc3C2)cnn1C ZINC000132787601 384253129 /nfs/dbraw/zinc/25/31/29/384253129.db2.gz CSOIKJLUWNXVLH-UHFFFAOYSA-N 0 1 247.367 2.348 20 0 BEADMN COC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000119307125 384256893 /nfs/dbraw/zinc/25/68/93/384256893.db2.gz IYXIXZPIOYBJAO-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN COC(=O)[C@H](C)N1CCC[C@H](CC(C)C)C1 ZINC000119307125 384256897 /nfs/dbraw/zinc/25/68/97/384256897.db2.gz IYXIXZPIOYBJAO-NWDGAFQWSA-N 0 1 227.348 2.306 20 0 BEADMN CN(CCc1cccs1)Cc1ccnn1C ZINC000093685523 384261632 /nfs/dbraw/zinc/26/16/32/384261632.db2.gz DJGFUVDZUVFMST-UHFFFAOYSA-N 0 1 235.356 2.156 20 0 BEADMN CCC[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000093704819 384266225 /nfs/dbraw/zinc/26/62/25/384266225.db2.gz BQHRRCVSTKKMDM-NSHDSACASA-N 0 1 207.321 2.422 20 0 BEADMN O=C([O-])CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000082791317 384268710 /nfs/dbraw/zinc/26/87/10/384268710.db2.gz LGRATIGKAIRZGF-UHFFFAOYSA-N 0 1 239.702 2.173 20 0 BEADMN C[C@H](C(=O)[O-])[N@H+]1CCc2c(Cl)cccc2C1 ZINC000082791321 384268831 /nfs/dbraw/zinc/26/88/31/384268831.db2.gz WRFRTFUGGYJINC-MRVPVSSYSA-N 0 1 239.702 2.171 20 0 BEADMN CCN(CC)CC(=O)Nc1cccc(F)c1C ZINC000074254072 384278172 /nfs/dbraw/zinc/27/81/72/384278172.db2.gz JSLCRSFJGZNVIG-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC(C)CO[C@H]1CCN(Cc2ccccn2)C1 ZINC000119832022 384308227 /nfs/dbraw/zinc/30/82/27/384308227.db2.gz CDNHEGIMXJWMSX-AWEZNQCLSA-N 0 1 234.343 2.329 20 0 BEADMN Fc1ccc2c(c1)CN(C[C@H]1CCCO1)CC2 ZINC000133914011 384320976 /nfs/dbraw/zinc/32/09/76/384320976.db2.gz ASKZIVVVSCGDGH-CQSZACIVSA-N 0 1 235.302 2.363 20 0 BEADMN CCOC[C@H](C)N[C@H](C)c1nccs1 ZINC000083143212 384283905 /nfs/dbraw/zinc/28/39/05/384283905.db2.gz GFZLFPWTNFRUQX-DTWKUNHWSA-N 0 1 214.334 2.219 20 0 BEADMN COc1ccccc1CCN(C)Cc1ccno1 ZINC000533423675 384294204 /nfs/dbraw/zinc/29/42/04/384294204.db2.gz KOLJALWIEPUKSL-UHFFFAOYSA-N 0 1 246.310 2.358 20 0 BEADMN C[C@H](CN[C@H](C)c1ccccn1)[N@@H+](C)C1CC1 ZINC000159023653 384298795 /nfs/dbraw/zinc/29/87/95/384298795.db2.gz DVKMZPWOSJNCRG-VXGBXAGGSA-N 0 1 233.359 2.215 20 0 BEADMN Cc1cccc(C[N@@H+](C)CCC(=O)[O-])c1C ZINC000083410154 384301695 /nfs/dbraw/zinc/30/16/95/384301695.db2.gz LDUKCDUIVDESNU-UHFFFAOYSA-N 0 1 221.300 2.210 20 0 BEADMN C[C@@]1(NCc2cc(F)ccc2F)CCOC1 ZINC000120193363 384335820 /nfs/dbraw/zinc/33/58/20/384335820.db2.gz KEPHOSRHBVAXAB-GFCCVEGCSA-N 0 1 227.254 2.233 20 0 BEADMN CO[C@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000044693169 384352706 /nfs/dbraw/zinc/35/27/06/384352706.db2.gz RULIGFVTFZDUCV-RYUDHWBXSA-N 0 1 224.304 2.030 20 0 BEADMN CCC[C@H](NCc1ncn(C)n1)C1CCCC1 ZINC000313423491 384360046 /nfs/dbraw/zinc/36/00/46/384360046.db2.gz GQCLFONOTXTVAK-LBPRGKRZSA-N 0 1 236.363 2.264 20 0 BEADMN CCC1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000084093922 384365615 /nfs/dbraw/zinc/36/56/15/384365615.db2.gz RPWJADRXFHQGPK-LBPRGKRZSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)CNCc1nnc(C(C)C)s1 ZINC000084119534 384369448 /nfs/dbraw/zinc/36/94/48/384369448.db2.gz NSZGYZVCHSWFDU-UHFFFAOYSA-N 0 1 213.350 2.407 20 0 BEADMN CC[C@H]1[C@H](CO)CCN1Cc1ncc(C)s1 ZINC000449426137 384329711 /nfs/dbraw/zinc/32/97/11/384329711.db2.gz QVDHXEQYFQVJDE-QWRGUYRKSA-N 0 1 240.372 2.044 20 0 BEADMN CCc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)o1 ZINC000449425835 384329729 /nfs/dbraw/zinc/32/97/29/384329729.db2.gz SWELSVNOJKAOIE-WDEREUQCSA-N 0 1 247.285 2.336 20 0 BEADMN CCN1CCCC[C@H]1C(=O)NCC1(C)CCC1 ZINC000175071082 384393339 /nfs/dbraw/zinc/39/33/39/384393339.db2.gz IBYLRCROYDLXKH-LBPRGKRZSA-N 0 1 238.375 2.167 20 0 BEADMN c1csc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000135143531 384413709 /nfs/dbraw/zinc/41/37/09/384413709.db2.gz RCQRPUUXKUBMTO-UWVGGRQHSA-N 0 1 208.330 2.375 20 0 BEADMN c1ccc2c(c1)[nH]nc2CN1CC(C2CC2)C1 ZINC000643345808 384427231 /nfs/dbraw/zinc/42/72/31/384427231.db2.gz NZNCFNRUIFNASG-UHFFFAOYSA-N 0 1 227.311 2.405 20 0 BEADMN Cc1noc(C)c1CN1CC(C2CC2)C1 ZINC000643345655 384423110 /nfs/dbraw/zinc/42/31/10/384423110.db2.gz DLINIAOLQMHPRD-UHFFFAOYSA-N 0 1 206.289 2.133 20 0 BEADMN Cc1cnc(CN[C@@]2(C)CCO[C@H]2C)s1 ZINC000335608470 384384087 /nfs/dbraw/zinc/38/40/87/384384087.db2.gz PBWMLILQWPIFQD-ONGXEEELSA-N 0 1 226.345 2.109 20 0 BEADMN CSC1(CNc2ccc3nn[nH]c3c2)CC1 ZINC000290556282 384389098 /nfs/dbraw/zinc/38/90/98/384389098.db2.gz ZIFGYXCOSAEUFG-UHFFFAOYSA-N 0 1 234.328 2.265 20 0 BEADMN CSC1(CNc2ccc3n[nH]nc3c2)CC1 ZINC000290556282 384389104 /nfs/dbraw/zinc/38/91/04/384389104.db2.gz ZIFGYXCOSAEUFG-UHFFFAOYSA-N 0 1 234.328 2.265 20 0 BEADMN CSC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000135454740 384446270 /nfs/dbraw/zinc/44/62/70/384446270.db2.gz AVESYZGAKMHXCM-SNVBAGLBSA-N 0 1 212.318 2.002 20 0 BEADMN CSC[C@H]1CCCN1Cc1ccon1 ZINC000135454740 384446275 /nfs/dbraw/zinc/44/62/75/384446275.db2.gz AVESYZGAKMHXCM-SNVBAGLBSA-N 0 1 212.318 2.002 20 0 BEADMN Cc1cc(CC(=O)N[C@H]2CCCC(C)(C)C2)[nH]n1 ZINC000135235865 384428145 /nfs/dbraw/zinc/42/81/45/384428145.db2.gz CQSAUZMDZQJRRG-NSHDSACASA-N 0 1 249.358 2.346 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CC(C)(C)OC ZINC000404230815 384465614 /nfs/dbraw/zinc/46/56/14/384465614.db2.gz GWFIGXQIXGZECP-NSHDSACASA-N 0 1 245.363 2.075 20 0 BEADMN Cn1nncc1CN[C@H](c1ccccc1)C1CC1 ZINC000135849898 384466539 /nfs/dbraw/zinc/46/65/39/384466539.db2.gz YOLAJXAMZCALQF-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN C[C@@H](NCCCn1cccn1)c1cscn1 ZINC000161151069 384468930 /nfs/dbraw/zinc/46/89/30/384468930.db2.gz VDQUSNJHWHOUPR-SNVBAGLBSA-N 0 1 236.344 2.081 20 0 BEADMN C[C@H]1C[C@@H](NCc2cccc(F)c2F)CO1 ZINC000335662532 384469076 /nfs/dbraw/zinc/46/90/76/384469076.db2.gz FZEJCVACJUALDY-WCBMZHEXSA-N 0 1 227.254 2.232 20 0 BEADMN C[C@@H](N[C@@H](C)Cn1ccnc1)c1cscn1 ZINC000161155630 384471029 /nfs/dbraw/zinc/47/10/29/384471029.db2.gz GDYUOKLBEKLRQL-VHSXEESVSA-N 0 1 236.344 2.079 20 0 BEADMN Cc1[nH]ncc1C(=O)N1c2ccccc2C[C@H]1C ZINC000070212142 384471492 /nfs/dbraw/zinc/47/14/92/384471492.db2.gz DOPJGPDMABGXHJ-SECBINFHSA-N 0 1 241.294 2.310 20 0 BEADMN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1cscn1 ZINC000161209486 384471800 /nfs/dbraw/zinc/47/18/00/384471800.db2.gz KUBOXJIJWNJKON-NHCYSSNCSA-N 0 1 240.372 2.345 20 0 BEADMN CCN(CC(=O)Nc1ccc(C)cc1O)C1CC1 ZINC000135926278 384473525 /nfs/dbraw/zinc/47/35/25/384473525.db2.gz VSIWHFHAYXIKAD-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN Cc1cc(OC[C@H]2CCCO2)cc(C)n1 ZINC000556756437 384473777 /nfs/dbraw/zinc/47/37/77/384473777.db2.gz AEGGZKNLRHIJHH-LLVKDONJSA-N 0 1 207.273 2.256 20 0 BEADMN C[C@]1(O)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000122333958 384475752 /nfs/dbraw/zinc/47/57/52/384475752.db2.gz ZHJHXYFLZPCJHQ-ZDUSSCGKSA-N 0 1 223.291 2.173 20 0 BEADMN CCCc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)n[nH]1 ZINC000029516230 384481857 /nfs/dbraw/zinc/48/18/57/384481857.db2.gz HAQQUMGKPOZVBL-QWRGUYRKSA-N 0 1 249.358 2.480 20 0 BEADMN CC1(C)C[C@H](O)CCN(Cc2nccs2)C1 ZINC000295337530 384459237 /nfs/dbraw/zinc/45/92/37/384459237.db2.gz XYIDUXPIJLIJDI-SNVBAGLBSA-N 0 1 240.372 2.126 20 0 BEADMN Cc1nccc(N2CCC[C@H](O)CC2)c1Cl ZINC000335757602 384497121 /nfs/dbraw/zinc/49/71/21/384497121.db2.gz ZFHAPQNLHFZVBP-JTQLQIEISA-N 0 1 240.734 2.395 20 0 BEADMN C[C@H]1c2ccsc2CC[N@@H+]1CCCO ZINC000048695667 384503876 /nfs/dbraw/zinc/50/38/76/384503876.db2.gz KWHSUDAEEONXJH-VIFPVBQESA-N 0 1 211.330 2.050 20 0 BEADMN CCSCCN(CCOC)Cc1ccco1 ZINC000122747978 384508679 /nfs/dbraw/zinc/50/86/79/384508679.db2.gz OARMNHHAUBRADT-UHFFFAOYSA-N 0 1 243.372 2.481 20 0 BEADMN CC(=O)CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000172714510 384512132 /nfs/dbraw/zinc/51/21/32/384512132.db2.gz NZDPMNDZYLDTIC-UHFFFAOYSA-N 0 1 248.326 2.056 20 0 BEADMN COc1cc(C)ccc1NC(=O)c1cn[nH]c1C ZINC000070983465 384489422 /nfs/dbraw/zinc/48/94/22/384489422.db2.gz AGIXXKLGVWFFRE-UHFFFAOYSA-N 0 1 245.282 2.287 20 0 BEADMN CCCN(CC(=O)c1cccn1C)C(C)C ZINC000037335143 384493317 /nfs/dbraw/zinc/49/33/17/384493317.db2.gz LNYKYCHBIPOZCD-UHFFFAOYSA-N 0 1 222.332 2.328 20 0 BEADMN Brc1cnc(CNCC2CC2)s1 ZINC000085352119 384517301 /nfs/dbraw/zinc/51/73/01/384517301.db2.gz VNQWWWUMLYQBHO-UHFFFAOYSA-N 0 1 247.161 2.405 20 0 BEADMN COC(CN(C)Cc1ccc(Cl)cc1)OC ZINC000085351376 384518753 /nfs/dbraw/zinc/51/87/53/384518753.db2.gz HAHWNMZJKWNDEY-UHFFFAOYSA-N 0 1 243.734 2.391 20 0 BEADMN c1csc(CN[C@H]2CCCSC2)n1 ZINC000061589043 384520045 /nfs/dbraw/zinc/52/00/45/384520045.db2.gz BTTVUNUOUWOGNK-QMMMGPOBSA-N 0 1 214.359 2.128 20 0 BEADMN OCC1(NCc2nc3ccccc3o2)CCCC1 ZINC000175995240 384527399 /nfs/dbraw/zinc/52/73/99/384527399.db2.gz HHWAUHRMVVGAJU-UHFFFAOYSA-N 0 1 246.310 2.223 20 0 BEADMN CCN(CC)C(=O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000097491828 384528142 /nfs/dbraw/zinc/52/81/42/384528142.db2.gz YJSLFVGQZYTFIB-CYBMUJFWSA-N 0 1 249.358 2.020 20 0 BEADMN CC(C)N(C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000049398551 384532880 /nfs/dbraw/zinc/53/28/80/384532880.db2.gz BJIFLDFTUTWYCQ-UHFFFAOYSA-N 0 1 246.354 2.454 20 0 BEADMN Cc1nc(CN2CCC[C@@H](CO)CC2)cs1 ZINC000292978543 384542580 /nfs/dbraw/zinc/54/25/80/384542580.db2.gz BCRGHLCNRIXIKL-LLVKDONJSA-N 0 1 240.372 2.046 20 0 BEADMN CC[C@H](O)CCCN[C@H](C)c1cc(C)on1 ZINC000309712721 384552155 /nfs/dbraw/zinc/55/21/55/384552155.db2.gz RIKMOJBZQUVSGB-MNOVXSKESA-N 0 1 226.320 2.185 20 0 BEADMN Cc1cnc(CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000183681235 384558271 /nfs/dbraw/zinc/55/82/71/384558271.db2.gz AIGWLGAKGLCTNK-VHSXEESVSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccc(F)cc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000097850452 384568554 /nfs/dbraw/zinc/56/85/54/384568554.db2.gz BTSUFFABQDLILT-JTQLQIEISA-N 0 1 237.274 2.041 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)CO1 ZINC000402202021 384569603 /nfs/dbraw/zinc/56/96/03/384569603.db2.gz FAMZXXQEHLVPAT-DGCLKSJQSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1ccc(CN2CCCC[C@@H]2C(N)=O)cc1C ZINC000162068825 384570029 /nfs/dbraw/zinc/57/00/29/384570029.db2.gz KCRSKMNSHQJTSU-CQSZACIVSA-N 0 1 246.354 2.143 20 0 BEADMN CN(Cc1cc(O)cc(F)c1)C[C@@H]1CCCO1 ZINC000184149202 384571570 /nfs/dbraw/zinc/57/15/70/384571570.db2.gz VWAARHDKCAIVCP-ZDUSSCGKSA-N 0 1 239.290 2.142 20 0 BEADMN CCC1(C(=O)Nc2nnc(C)[nH]2)CCCCC1 ZINC000184152589 384573544 /nfs/dbraw/zinc/57/35/44/384573544.db2.gz VRJDUYVGDVWEQS-UHFFFAOYSA-N 0 1 236.319 2.412 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000235670684 384574348 /nfs/dbraw/zinc/57/43/48/384574348.db2.gz PUESWJSTTHJHNO-AAEUAGOBSA-N 0 1 233.311 2.372 20 0 BEADMN Cc1c[nH]nc1CN[C@H](C)CC(F)(F)F ZINC000336745483 384575399 /nfs/dbraw/zinc/57/53/99/384575399.db2.gz BDIMUYUSOZLGCU-SSDOTTSWSA-N 0 1 221.226 2.149 20 0 BEADMN FC(F)(F)CCCNc1ncnc2[nH]cnc21 ZINC000097987424 384582027 /nfs/dbraw/zinc/58/20/27/384582027.db2.gz NFSVMIBDKQZOKP-UHFFFAOYSA-N 0 1 245.208 2.107 20 0 BEADMN Cc1noc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000102927238 384585777 /nfs/dbraw/zinc/58/57/77/384585777.db2.gz OTRSJMKLZGHRLH-LLVKDONJSA-N 0 1 221.304 2.143 20 0 BEADMN Cc1csc(NC(=O)c2c[nH]nc2C2CC2)n1 ZINC000184284721 384587905 /nfs/dbraw/zinc/58/79/05/384587905.db2.gz UQTPOHFTBIZJBV-UHFFFAOYSA-N 0 1 248.311 2.304 20 0 BEADMN Cc1ccn2c(CN[C@@H](C)CF)cnc2c1 ZINC000309789748 384605378 /nfs/dbraw/zinc/60/53/78/384605378.db2.gz UELUALDJHUJHGW-JTQLQIEISA-N 0 1 221.279 2.090 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)CC(C)(C)C ZINC000050183474 384605940 /nfs/dbraw/zinc/60/59/40/384605940.db2.gz JIZMBKWGTHRHHU-UHFFFAOYSA-N 0 1 237.347 2.203 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000081320930 384612336 /nfs/dbraw/zinc/61/23/36/384612336.db2.gz PDKBDOJLAKZLDM-GFCCVEGCSA-N 0 1 221.304 2.062 20 0 BEADMN C[C@H]1OCCN(CCc2ccccc2)[C@H]1C ZINC000139344643 384612497 /nfs/dbraw/zinc/61/24/97/384612497.db2.gz WEZILPMUTKJYET-QWHCGFSZSA-N 0 1 219.328 2.338 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000050266830 384613035 /nfs/dbraw/zinc/61/30/35/384613035.db2.gz UADKMCPHEDBKHO-AAEUAGOBSA-N 0 1 233.311 2.037 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 ZINC000081562709 384621106 /nfs/dbraw/zinc/62/11/06/384621106.db2.gz XGRCNPALAAAYRU-CYBMUJFWSA-N 0 1 246.354 2.243 20 0 BEADMN CC(C)CO[C@@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000184617204 384625736 /nfs/dbraw/zinc/62/57/36/384625736.db2.gz NOYNILXWFVJNCY-QWHCGFSZSA-N 0 1 249.358 2.285 20 0 BEADMN FCCNCc1c[nH]nc1-c1cccs1 ZINC000373846578 384626413 /nfs/dbraw/zinc/62/64/13/384626413.db2.gz YZYDEKSFWHKHPU-UHFFFAOYSA-N 0 1 225.292 2.197 20 0 BEADMN Cc1cc(C)cc(CN2CC(C)(CO)C2)c1 ZINC000334645119 384627954 /nfs/dbraw/zinc/62/79/54/384627954.db2.gz HPNRJSGAJIWZGN-UHFFFAOYSA-N 0 1 219.328 2.118 20 0 BEADMN CC/C=C/CC[N@@H+](CC(=O)OC)C(C)C ZINC000184638479 384631154 /nfs/dbraw/zinc/63/11/54/384631154.db2.gz OAZIEOGWLGHYDZ-VOTSOKGWSA-N 0 1 213.321 2.226 20 0 BEADMN CC/C=C/CCN(CC(=O)OC)C(C)C ZINC000184638479 384631156 /nfs/dbraw/zinc/63/11/56/384631156.db2.gz OAZIEOGWLGHYDZ-VOTSOKGWSA-N 0 1 213.321 2.226 20 0 BEADMN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN1C ZINC000082337187 384668182 /nfs/dbraw/zinc/66/81/82/384668182.db2.gz TVMPRBASPQRGEU-RISCZKNCSA-N 0 1 244.338 2.058 20 0 BEADMN CCN(C(=O)[C@@H]1CCCN1C)c1cccc(C)c1 ZINC000082338849 384668242 /nfs/dbraw/zinc/66/82/42/384668242.db2.gz MGMJYNMHLQARED-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CC(=O)CN(C)CCCOCc1ccccc1 ZINC000306739292 384669566 /nfs/dbraw/zinc/66/95/66/384669566.db2.gz AUOIABFPCZNFHF-UHFFFAOYSA-N 0 1 235.327 2.114 20 0 BEADMN CCOC(=O)CN(C)CC1CCCCC1 ZINC000042250761 384635489 /nfs/dbraw/zinc/63/54/89/384635489.db2.gz UHLNUDCMUVWKCR-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc2n(n1)CCCC2 ZINC000647351034 384636896 /nfs/dbraw/zinc/63/68/96/384636896.db2.gz JZACUAWXKQWKOH-WOPDTQHZSA-N 0 1 249.358 2.047 20 0 BEADMN CC[C@@H](C(=O)Nc1cccc(C)c1)N(C)C ZINC000124421306 384637449 /nfs/dbraw/zinc/63/74/49/384637449.db2.gz PUZYCWAESADEPF-LBPRGKRZSA-N 0 1 220.316 2.274 20 0 BEADMN CCC1(CO)CCN([C@@H](C)c2cnccn2)CC1 ZINC000184702841 384639199 /nfs/dbraw/zinc/63/91/99/384639199.db2.gz PLMFBSMQKYAGKM-LBPRGKRZSA-N 0 1 249.358 2.022 20 0 BEADMN COC[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(C)o1 ZINC000647188915 384646558 /nfs/dbraw/zinc/64/65/58/384646558.db2.gz RBTATHUMXPGPNK-WOPDTQHZSA-N 0 1 239.315 2.043 20 0 BEADMN CCOCCN[C@@H](COC)c1ccc(CC)o1 ZINC000184778374 384646931 /nfs/dbraw/zinc/64/69/31/384646931.db2.gz WJBGQJKQILABAJ-LBPRGKRZSA-N 0 1 241.331 2.156 20 0 BEADMN CC[C@@H](NC[C@@H](O)C(C)C)c1nccs1 ZINC000300940531 384723335 /nfs/dbraw/zinc/72/33/35/384723335.db2.gz XRPHUDKLNFGVAZ-NXEZZACHSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1noc(C)c1C[C@H](C)NCc1ccon1 ZINC000643887993 384725906 /nfs/dbraw/zinc/72/59/06/384725906.db2.gz NFYPTABWYLLCCE-QMMMGPOBSA-N 0 1 235.287 2.000 20 0 BEADMN C[C@@H]1CN(Cc2cnc(N)s2)C[C@@H](C)S1 ZINC000086766302 384682914 /nfs/dbraw/zinc/68/29/14/384682914.db2.gz SUADXRMWSHCNMS-HTQZYQBOSA-N 0 1 243.401 2.051 20 0 BEADMN CC[C@](C)(CN[C@H](C)c1nnc(C)s1)OC ZINC000319933083 384684021 /nfs/dbraw/zinc/68/40/21/384684021.db2.gz SWUCJIVCWSXAEZ-LDYMZIIASA-N 0 1 243.376 2.312 20 0 BEADMN CCCCC1=NN(CCOC(C)C)C(=O)[C@H]1C ZINC000634620311 384684268 /nfs/dbraw/zinc/68/42/68/384684268.db2.gz ZMFCYQPYYHGKQG-NSHDSACASA-N 0 1 240.347 2.436 20 0 BEADMN CCCCc1[nH]n(CCOC(C)C)c(=O)c1C ZINC000634620311 384684274 /nfs/dbraw/zinc/68/42/74/384684274.db2.gz ZMFCYQPYYHGKQG-NSHDSACASA-N 0 1 240.347 2.436 20 0 BEADMN CC[C@H](F)CN[C@H](CO)c1ccc(F)cc1 ZINC000309936583 384727037 /nfs/dbraw/zinc/72/70/37/384727037.db2.gz AFQHGKNNSXBJJH-CMPLNLGQSA-N 0 1 229.270 2.197 20 0 BEADMN C/C(=C/c1ccccc1)CN(C)C(=O)CN(C)C ZINC000427534501 384707408 /nfs/dbraw/zinc/70/74/08/384707408.db2.gz AKKSPRUEAUFVJO-RAXLEYEMSA-N 0 1 246.354 2.110 20 0 BEADMN C[C@@H](NC(=O)CN1CCCC1)c1cccs1 ZINC000102667747 384721109 /nfs/dbraw/zinc/72/11/09/384721109.db2.gz BUNJANFBMSINKT-SNVBAGLBSA-N 0 1 238.356 2.021 20 0 BEADMN Cn1c(=O)[nH]nc1SC[C@@H]1CCC(F)(F)C1 ZINC000334967124 384721942 /nfs/dbraw/zinc/72/19/42/384721942.db2.gz JKZFGYOXZRVIOV-ZCFIWIBFSA-N 0 1 249.286 2.048 20 0 BEADMN CO[C@@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000126070183 384732186 /nfs/dbraw/zinc/73/21/86/384732186.db2.gz FXZOUYWTAWACJA-CBAPKCEASA-N 0 1 214.334 2.137 20 0 BEADMN CCS[C@@H]1CCC[C@H]1NCc1ncccn1 ZINC000300380400 384733268 /nfs/dbraw/zinc/73/32/68/384733268.db2.gz DDSBTKBWDPTUHJ-GHMZBOCLSA-N 0 1 237.372 2.240 20 0 BEADMN Cc1nocc1Cn1c(C)nc2c1CCCC2 ZINC000568270697 384733219 /nfs/dbraw/zinc/73/32/19/384733219.db2.gz OCLZXJPCICCLGE-UHFFFAOYSA-N 0 1 231.299 2.415 20 0 BEADMN Cc1ccnc(NC[C@H]2CC[C@H](C)O2)c1 ZINC000334813265 384733255 /nfs/dbraw/zinc/73/32/55/384733255.db2.gz OSOSYJJBEODZCP-WDEREUQCSA-N 0 1 206.289 2.369 20 0 BEADMN C[C@H](O)C[C@H](C)NCc1csc(C2CC2)n1 ZINC000309937795 384735351 /nfs/dbraw/zinc/73/53/51/384735351.db2.gz AQCPDPIUFIBSAM-IUCAKERBSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000173921172 384737524 /nfs/dbraw/zinc/73/75/24/384737524.db2.gz FNNHFMOUNMFVKZ-GFCCVEGCSA-N 0 1 246.354 2.348 20 0 BEADMN Cc1cnc(N2CCN(C3CCC3)CC2)s1 ZINC000271460266 384737647 /nfs/dbraw/zinc/73/76/47/384737647.db2.gz XDSMLUZQDGMUOI-UHFFFAOYSA-N 0 1 237.372 2.126 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2nc(C)c(C)[nH]2)C12CCC2 ZINC000568273070 384741338 /nfs/dbraw/zinc/74/13/38/384741338.db2.gz IYEUYTCFHMRDOF-VXGBXAGGSA-N 0 1 249.358 2.074 20 0 BEADMN Nc1ncccc1CN1CCc2ccccc2C1 ZINC000052716945 384742341 /nfs/dbraw/zinc/74/23/41/384742341.db2.gz WJSQLFJETJCCSX-UHFFFAOYSA-N 0 1 239.322 2.222 20 0 BEADMN CC(C)C[C@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000358174725 384744379 /nfs/dbraw/zinc/74/43/79/384744379.db2.gz YWCBOARJHPDARY-QWRGUYRKSA-N 0 1 249.358 2.065 20 0 BEADMN CC(C)C[C@H](C)C[N@H+]1CCSC[C@@H]1C(=O)[O-] ZINC000300964529 384750612 /nfs/dbraw/zinc/75/06/12/384750612.db2.gz RKOORENGTHLEDW-WDEREUQCSA-N 0 1 245.388 2.171 20 0 BEADMN Cc1nnc(CN2[C@H](C)CCC[C@@H]2C)o1 ZINC000108864635 384754508 /nfs/dbraw/zinc/75/45/08/384754508.db2.gz GPFUVYPNUCRPHW-DTORHVGOSA-N 0 1 209.293 2.141 20 0 BEADMN Cc1[nH]ncc1CNc1cnn(C(C)C)c1 ZINC000061682906 384755526 /nfs/dbraw/zinc/75/55/26/384755526.db2.gz GXYVMLCOZWTTBQ-UHFFFAOYSA-N 0 1 219.292 2.108 20 0 BEADMN CO[C@@H]1CC[C@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000309981047 384758435 /nfs/dbraw/zinc/75/84/35/384758435.db2.gz WCWKSPRWUUJMNE-GARJFASQSA-N 0 1 224.304 2.201 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2cccnc21 ZINC000054070195 384817347 /nfs/dbraw/zinc/81/73/47/384817347.db2.gz VZZYNPAOZXLHFY-SNVBAGLBSA-N 0 1 244.294 2.140 20 0 BEADMN Cc1cc(C(=O)N(C)C2CCCCC2)n[nH]1 ZINC000054056962 384818247 /nfs/dbraw/zinc/81/82/47/384818247.db2.gz WZQSPGIXUJXKRF-UHFFFAOYSA-N 0 1 221.304 2.123 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000174379441 384784645 /nfs/dbraw/zinc/78/46/45/384784645.db2.gz KKEYFXIQDVAKLI-MFKMUULPSA-N 0 1 247.342 2.377 20 0 BEADMN CCN(C)Cc1cnc(N(CC)CC)s1 ZINC000126246491 384785071 /nfs/dbraw/zinc/78/50/71/384785071.db2.gz KODDBGGSPLGSTA-UHFFFAOYSA-N 0 1 227.377 2.441 20 0 BEADMN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccn[nH]1)C1CC1 ZINC000104569404 384835956 /nfs/dbraw/zinc/83/59/56/384835956.db2.gz VYBDLVUSIQWWDO-NXEZZACHSA-N 0 1 235.331 2.449 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000048756073 384786344 /nfs/dbraw/zinc/78/63/44/384786344.db2.gz NAQNMPLAKNECLI-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CCN(CC[NH2+][C@H](C)c1ccco1)C1CC1 ZINC000053377366 384787582 /nfs/dbraw/zinc/78/75/82/384787582.db2.gz JTUIARWCPQGJKS-LLVKDONJSA-N 0 1 222.332 2.415 20 0 BEADMN CC[C@H]1CCCCN1CC[NH2+]Cc1ccccn1 ZINC000053375316 384787642 /nfs/dbraw/zinc/78/76/42/384787642.db2.gz HIKJDZPCQIALMY-HNNXBMFYSA-N 0 1 247.386 2.436 20 0 BEADMN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1csnn1 ZINC000306591421 384788070 /nfs/dbraw/zinc/78/80/70/384788070.db2.gz VPDGIPUPEOUNNY-XSPKLOCKSA-N 0 1 211.334 2.233 20 0 BEADMN Cc1nnc([C@@H](C)NCCc2ccncc2)s1 ZINC000289600801 384788764 /nfs/dbraw/zinc/78/87/64/384788764.db2.gz SWEXFZHVBUBZMD-SECBINFHSA-N 0 1 248.355 2.135 20 0 BEADMN Fc1cccc(Cl)c1CN[C@H]1CCOC1 ZINC000087416043 384790019 /nfs/dbraw/zinc/79/00/19/384790019.db2.gz YEFPFWXKXJRKGX-QMMMGPOBSA-N 0 1 229.682 2.358 20 0 BEADMN C[C@]1(CNc2ncnc3[nH]cnc32)CCCS1 ZINC000126392586 384796637 /nfs/dbraw/zinc/79/66/37/384796637.db2.gz OCOCWVWXOFXRMX-LLVKDONJSA-N 0 1 249.343 2.051 20 0 BEADMN CC[C@@H](NCc1[nH]ncc1C)c1nccs1 ZINC000310015726 384796879 /nfs/dbraw/zinc/79/68/79/384796879.db2.gz KVJJMBXACVOILU-SECBINFHSA-N 0 1 236.344 2.416 20 0 BEADMN COC(=O)[C@@]1(C)CCCN1CCc1ccccc1 ZINC000186339731 384836481 /nfs/dbraw/zinc/83/64/81/384836481.db2.gz FNFOTEXJLAUETK-OAHLLOKOSA-N 0 1 247.338 2.257 20 0 BEADMN Cc1ccoc1C[NH2+]CCN(C)C(C)C ZINC000126746053 384801903 /nfs/dbraw/zinc/80/19/03/384801903.db2.gz WQXSBUZDHALDTN-UHFFFAOYSA-N 0 1 210.321 2.018 20 0 BEADMN C[C@H](c1ccncc1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647367975 384805223 /nfs/dbraw/zinc/80/52/23/384805223.db2.gz HQNPNIHGTGQZPH-NQBHXWOUSA-N 0 1 248.326 2.185 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCCc1cccc(F)c1 ZINC000518218237 384811200 /nfs/dbraw/zinc/81/12/00/384811200.db2.gz DBQOFTDGMLNCIZ-SNVBAGLBSA-N 0 1 239.290 2.163 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000105684823 384879022 /nfs/dbraw/zinc/87/90/22/384879022.db2.gz GXYAIFKTEDIMOT-CYBMUJFWSA-N 0 1 233.311 2.471 20 0 BEADMN COc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000339751025 384884899 /nfs/dbraw/zinc/88/48/99/384884899.db2.gz DWBLJRRTDRYMOZ-CQSZACIVSA-N 0 1 249.354 2.290 20 0 BEADMN CN(Cc1nnc[nH]1)[C@@H]1CCCc2ccccc21 ZINC000174806176 384839015 /nfs/dbraw/zinc/83/90/15/384839015.db2.gz OQNXCUUTOMWIMV-CYBMUJFWSA-N 0 1 242.326 2.314 20 0 BEADMN C[C@H]1[C@H](CO)CCN1Cc1ccc(F)cc1F ZINC000335206681 384852711 /nfs/dbraw/zinc/85/27/11/384852711.db2.gz HXECJSJXTOZLBU-ONGXEEELSA-N 0 1 241.281 2.168 20 0 BEADMN CCC1(CNC(=O)c2[nH]nc(C)c2C)CCC1 ZINC000084282675 384855305 /nfs/dbraw/zinc/85/53/05/384855305.db2.gz LUJQEQSNVZOOIN-UHFFFAOYSA-N 0 1 235.331 2.337 20 0 BEADMN Cc1nnc([C@H](C)NC[C@H]2C[C@@H]2C)s1 ZINC000308600605 384856847 /nfs/dbraw/zinc/85/68/47/384856847.db2.gz APHBVVDDKMCGCK-ACLDMZEESA-N 0 1 211.334 2.153 20 0 BEADMN CC(C)n1cc(CNC2(C3(C)CC3)CC2)nn1 ZINC000398228227 384857252 /nfs/dbraw/zinc/85/72/52/384857252.db2.gz WGYNJIGQVUNMQU-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN C[C@H]1C[C@H](NCc2ccc(Cl)cn2)CO1 ZINC000647199141 384868951 /nfs/dbraw/zinc/86/89/51/384868951.db2.gz OMRLIGSLAXVOME-KWQFWETISA-N 0 1 226.707 2.002 20 0 BEADMN C[C@H]1[C@@H](CO)CCN1Cc1cc(F)ccc1F ZINC000336098056 384891172 /nfs/dbraw/zinc/89/11/72/384891172.db2.gz SGRDZECILZRTGQ-VHSXEESVSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1[C@@H](CO)CCN1Cc1cc(F)ccc1F ZINC000336098054 384891236 /nfs/dbraw/zinc/89/12/36/384891236.db2.gz SGRDZECILZRTGQ-NXEZZACHSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1nnc([C@@H](C)NCC[C@H](C)F)s1 ZINC000308663054 384899661 /nfs/dbraw/zinc/89/96/61/384899661.db2.gz RBXUQMXKEANAKW-NKWVEPMBSA-N 0 1 217.313 2.245 20 0 BEADMN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccco1 ZINC000127475895 384900590 /nfs/dbraw/zinc/90/05/90/384900590.db2.gz ZXRUFNLIEAYNCP-HWPZZCPQSA-N 0 1 243.372 2.477 20 0 BEADMN CC(C)SCCN[C@H](C)c1ncc[nH]1 ZINC000308659413 384902615 /nfs/dbraw/zinc/90/26/15/384902615.db2.gz PKFMKTIRBDGIDU-SECBINFHSA-N 0 1 213.350 2.202 20 0 BEADMN CC(C)=CCCNC(=O)CN1CCC(C)CC1 ZINC000360192076 384910773 /nfs/dbraw/zinc/91/07/73/384910773.db2.gz AASYIGYZSTYUOO-UHFFFAOYSA-N 0 1 238.375 2.191 20 0 BEADMN CC(C)CC1(C(=O)N2CCN[C@H](C)C2)CCC1 ZINC000188398862 384914249 /nfs/dbraw/zinc/91/42/49/384914249.db2.gz FNPGOOCBJPBEFB-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1cnc([C@H](C)NCC[C@H](C)F)o1 ZINC000308682091 384914273 /nfs/dbraw/zinc/91/42/73/384914273.db2.gz XXYZSJLNNGSVGW-CBAPKCEASA-N 0 1 200.257 2.382 20 0 BEADMN COc1cc([C@@H](C)N[C@@H]2CC23CC3)c(F)cn1 ZINC000424318778 384914777 /nfs/dbraw/zinc/91/47/77/384914777.db2.gz HQJGHWQNIFYDKP-LDYMZIIASA-N 0 1 236.290 2.432 20 0 BEADMN C[C@@H](NCC(C)(C)CCO)c1cscn1 ZINC000127884559 384916170 /nfs/dbraw/zinc/91/61/70/384916170.db2.gz GCZHCQULSNKENJ-SECBINFHSA-N 0 1 228.361 2.202 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C(CC)CC ZINC000448209263 384921663 /nfs/dbraw/zinc/92/16/63/384921663.db2.gz PFSSKCYUIIDOJA-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1nc(CNC[C@@H](O)CC(C)(C)C)cs1 ZINC000164144807 384925707 /nfs/dbraw/zinc/92/57/07/384925707.db2.gz BTRHYOKQOMACOK-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN C[C@@H]([N@@H+](C)CC(=O)N1CCCCC1)C1(C)CC1 ZINC000177245446 384929820 /nfs/dbraw/zinc/92/98/20/384929820.db2.gz SVXCHPATZTWZOH-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1 ZINC000312955304 384933002 /nfs/dbraw/zinc/93/30/02/384933002.db2.gz MZQOGDYSKRZIRB-LLVKDONJSA-N 0 1 227.348 2.306 20 0 BEADMN O[C@H](CNCc1cscn1)CC1CCCC1 ZINC000644532567 384933795 /nfs/dbraw/zinc/93/37/95/384933795.db2.gz AIZJMKFIYWIUHS-LBPRGKRZSA-N 0 1 240.372 2.174 20 0 BEADMN CN(Cc1ccccc1F)[C@@H]1CCOC1 ZINC000106881353 384934625 /nfs/dbraw/zinc/93/46/25/384934625.db2.gz JGSDFYIEURAZSB-LLVKDONJSA-N 0 1 209.264 2.046 20 0 BEADMN Cn1ncc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187305814 384934641 /nfs/dbraw/zinc/93/46/41/384934641.db2.gz XJLCAKCYBZSZPZ-AOOOYVTPSA-N 0 1 239.750 2.305 20 0 BEADMN Cn1ncc(Cl)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000187305814 384934650 /nfs/dbraw/zinc/93/46/50/384934650.db2.gz XJLCAKCYBZSZPZ-AOOOYVTPSA-N 0 1 239.750 2.305 20 0 BEADMN CCn1ccnc1[C@@H](C)N[C@@H]1CC12CC2 ZINC000424329373 384942763 /nfs/dbraw/zinc/94/27/63/384942763.db2.gz RNHPCLJDYVVKPP-NXEZZACHSA-N 0 1 205.305 2.106 20 0 BEADMN C[C@@H]1C[N@@H+](CCCC(=O)[O-])Cc2ccccc2O1 ZINC000559273427 384946976 /nfs/dbraw/zinc/94/69/76/384946976.db2.gz NPYBYUGOVVEXFL-LLVKDONJSA-N 0 1 249.310 2.134 20 0 BEADMN CC(C)(C)/C=C/C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175825361 384965980 /nfs/dbraw/zinc/96/59/80/384965980.db2.gz AKUBSDSZBGMPDJ-VOTSOKGWSA-N 0 1 244.298 2.499 20 0 BEADMN CCc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062133319 384968664 /nfs/dbraw/zinc/96/86/64/384968664.db2.gz JVQTXIUTWVHPMX-ZDUSSCGKSA-N 0 1 233.311 2.156 20 0 BEADMN CCN(CCO)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000127962607 384971848 /nfs/dbraw/zinc/97/18/48/384971848.db2.gz PEPDKWAHLUQHAB-JQWIXIFHSA-N 0 1 223.316 2.217 20 0 BEADMN Cc1cc(C[N@@H+](C)CCCCCO)sn1 ZINC000404347292 384972477 /nfs/dbraw/zinc/97/24/77/384972477.db2.gz IZAHHTIYIRBRHJ-UHFFFAOYSA-N 0 1 228.361 2.046 20 0 BEADMN CN(Cc1ccns1)C[C@H]1CCCC[C@H]1O ZINC000404372659 384974773 /nfs/dbraw/zinc/97/47/73/384974773.db2.gz CLBULIFVHVZZFZ-ZYHUDNBSSA-N 0 1 240.372 2.126 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000187738670 384976971 /nfs/dbraw/zinc/97/69/71/384976971.db2.gz JFDRLYFXKXSMNO-UWVGGRQHSA-N 0 1 244.298 2.189 20 0 BEADMN Cc1ccc(F)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000127979398 384977036 /nfs/dbraw/zinc/97/70/36/384977036.db2.gz CWXPABXSDWBLAC-LBPRGKRZSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1ccc(F)c(CN2CCC[C@H](O)C2)c1 ZINC000127979398 384977043 /nfs/dbraw/zinc/97/70/43/384977043.db2.gz CWXPABXSDWBLAC-LBPRGKRZSA-N 0 1 223.291 2.091 20 0 BEADMN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000187738734 384977211 /nfs/dbraw/zinc/97/72/11/384977211.db2.gz JFDRLYFXKXSMNO-NXEZZACHSA-N 0 1 244.298 2.189 20 0 BEADMN CC1(C)CCN(CC(=O)NCC2CCCC2)C1 ZINC000557516697 384997369 /nfs/dbraw/zinc/99/73/69/384997369.db2.gz XUQUHDVYZJDDOT-UHFFFAOYSA-N 0 1 238.375 2.025 20 0 BEADMN Cc1ccc(F)c(C[N@@H+](CCO)C2CC2)c1 ZINC000128115678 384997919 /nfs/dbraw/zinc/99/79/19/384997919.db2.gz QJDKUWDBFCJHIA-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN Cc1ccc(F)c(CN(CCO)C2CC2)c1 ZINC000128115678 384997928 /nfs/dbraw/zinc/99/79/28/384997928.db2.gz QJDKUWDBFCJHIA-UHFFFAOYSA-N 0 1 223.291 2.091 20 0 BEADMN CC(C)(C)c1ncc(CN2CC[C@H](O)C2)s1 ZINC000128166841 385006666 /nfs/dbraw/zinc/00/66/66/385006666.db2.gz UUXZHXAQIINSMH-VIFPVBQESA-N 0 1 240.372 2.007 20 0 BEADMN Cc1nnc(CN2C[C@H](C)CCC[C@@H]2C)[nH]1 ZINC000336307784 385013526 /nfs/dbraw/zinc/01/35/26/385013526.db2.gz CICSDEYTXPFICL-ZJUUUORDSA-N 0 1 222.336 2.124 20 0 BEADMN COCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000164566606 385016819 /nfs/dbraw/zinc/01/68/19/385016819.db2.gz LWHLOQXLSPSRFB-UHFFFAOYSA-N 0 1 248.370 2.072 20 0 BEADMN COC(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC000310370965 385018374 /nfs/dbraw/zinc/01/83/74/385018374.db2.gz XTJMWTCDHXFGOL-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN CCc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)n[nH]1 ZINC000175799807 384963132 /nfs/dbraw/zinc/96/31/32/384963132.db2.gz VLGIQKCWIPSNLE-VIFPVBQESA-N 0 1 235.331 2.233 20 0 BEADMN COCC1(NCc2cc(OC)ccc2F)CC1 ZINC000559283389 384964500 /nfs/dbraw/zinc/96/45/00/384964500.db2.gz WJCRSPPNNFNDJF-UHFFFAOYSA-N 0 1 239.290 2.103 20 0 BEADMN CC[C@@H](C)C[C@@H](CO)NCc1csc(C)n1 ZINC000647244063 385047539 /nfs/dbraw/zinc/04/75/39/385047539.db2.gz TXVZNKPWFIILJQ-KOLCDFICSA-N 0 1 242.388 2.338 20 0 BEADMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000188473874 385054196 /nfs/dbraw/zinc/05/41/96/385054196.db2.gz XTRPJDYLWOISGM-ZJUUUORDSA-N 0 1 240.372 2.266 20 0 BEADMN CC[C@@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000279228427 385083976 /nfs/dbraw/zinc/08/39/76/385083976.db2.gz YHKHHOCVNUOCIF-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN COc1ncc(CNCCOC(C)(C)C)s1 ZINC000308743294 385056129 /nfs/dbraw/zinc/05/61/29/385056129.db2.gz PYHABQYCWPDUEF-UHFFFAOYSA-N 0 1 244.360 2.056 20 0 BEADMN CC[C@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000279228424 385084538 /nfs/dbraw/zinc/08/45/38/385084538.db2.gz YHKHHOCVNUOCIF-SECBINFHSA-N 0 1 242.388 2.301 20 0 BEADMN CS[C@@H](C)CN[C@@H](C)c1cc(C)on1 ZINC000279166947 385064913 /nfs/dbraw/zinc/06/49/13/385064913.db2.gz CBOLZCPMOQYXOQ-IUCAKERBSA-N 0 1 214.334 2.385 20 0 BEADMN C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000648273998 385066587 /nfs/dbraw/zinc/06/65/87/385066587.db2.gz DWXGTDPNOQXVGP-MBNYWOFBSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](C)CC(=O)N1CCNC[C@@H]1CCC ZINC000359216867 385066670 /nfs/dbraw/zinc/06/66/70/385066670.db2.gz GGLHDVFBYFXLLO-STQMWFEESA-N 0 1 240.391 2.413 20 0 BEADMN COc1cc(CN[C@H](C)c2cncs2)ccn1 ZINC000128880117 385081365 /nfs/dbraw/zinc/08/13/65/385081365.db2.gz PVHFKTIANOPZTI-SECBINFHSA-N 0 1 249.339 2.398 20 0 BEADMN CCO[C@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000644626914 385025469 /nfs/dbraw/zinc/02/54/69/385025469.db2.gz CVUWFNAIRDBLKC-STQMWFEESA-N 0 1 249.358 2.347 20 0 BEADMN O[C@H]1CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC000255775814 385031142 /nfs/dbraw/zinc/03/11/42/385031142.db2.gz WQPROXMEFUBXTA-FYDYADQUSA-N 0 1 237.730 2.420 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c(C)n1 ZINC000518386788 385032361 /nfs/dbraw/zinc/03/23/61/385032361.db2.gz QKWFBCQWYTVORS-CYBMUJFWSA-N 0 1 248.326 2.138 20 0 BEADMN C[C@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000530750013 385040905 /nfs/dbraw/zinc/04/09/05/385040905.db2.gz KPEMLAYBFKBERY-VIFPVBQESA-N 0 1 245.282 2.152 20 0 BEADMN CC[C@@H]1CN(C)CCN1C(=O)CC(C)(C)CC ZINC000647460307 385043318 /nfs/dbraw/zinc/04/33/18/385043318.db2.gz VUROITWMBPYNCF-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1c(CN2CCS[C@@H](C)[C@H]2C)cnn1C ZINC000269015731 385115751 /nfs/dbraw/zinc/11/57/51/385115751.db2.gz OAPMBEMHBMRBHH-KOLCDFICSA-N 0 1 239.388 2.054 20 0 BEADMN Cn1cc(C[N@H+]2CCCC3(CCCCC3)C2)nn1 ZINC000336337387 385123262 /nfs/dbraw/zinc/12/32/62/385123262.db2.gz POFBEQZBWAEJCS-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN Cn1cc(CN2CCCC3(CCCCC3)C2)nn1 ZINC000336337387 385123265 /nfs/dbraw/zinc/12/32/65/385123265.db2.gz POFBEQZBWAEJCS-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000246225771 385125678 /nfs/dbraw/zinc/12/56/78/385125678.db2.gz DOBZBTCHTZUJEA-GAJTVXKRSA-N 0 1 249.358 2.202 20 0 BEADMN CC(C)c1nnc(CNCC2CC2)s1 ZINC000336699549 385126240 /nfs/dbraw/zinc/12/62/40/385126240.db2.gz WOPKJQDBLQUVHK-UHFFFAOYSA-N 0 1 211.334 2.161 20 0 BEADMN CO[C@H]([C@@H](C)NCc1nc(C)cs1)C1CC1 ZINC000388298758 385142267 /nfs/dbraw/zinc/14/22/67/385142267.db2.gz MQQSZLQMZZYJIJ-BXKDBHETSA-N 0 1 240.372 2.355 20 0 BEADMN OC[C@H]1[C@@H]2CN(Cc3ccc(Cl)s3)C[C@H]12 ZINC000644714296 385130380 /nfs/dbraw/zinc/13/03/80/385130380.db2.gz USHNDSZZJLCKJI-MYJAWHEDSA-N 0 1 243.759 2.072 20 0 BEADMN CCc1nc(C)c(CN2CCCOC[C@@H]2C)o1 ZINC000644678513 385092094 /nfs/dbraw/zinc/09/20/94/385092094.db2.gz SZYRLLZPRZEDCW-JTQLQIEISA-N 0 1 238.331 2.156 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@H]1NCc1ccno1 ZINC000517758931 385096172 /nfs/dbraw/zinc/09/61/72/385096172.db2.gz HSSFMSXYNAYSLE-NXEZZACHSA-N 0 1 246.257 2.315 20 0 BEADMN Cc1cccc(NC(=O)c2cn[nH]c2C(C)C)n1 ZINC000188875817 385100833 /nfs/dbraw/zinc/10/08/33/385100833.db2.gz MSENEONPFPCDNO-UHFFFAOYSA-N 0 1 244.298 2.489 20 0 BEADMN CC[C@H](O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189807982 385186476 /nfs/dbraw/zinc/18/64/76/385186476.db2.gz KMPHANQECOBVDW-CMPLNLGQSA-N 0 1 240.372 2.359 20 0 BEADMN CC(C)n1nccc1CNC(C)(C)CF ZINC000308824938 385191146 /nfs/dbraw/zinc/19/11/46/385191146.db2.gz DHQSTQJCAVIBJE-UHFFFAOYSA-N 0 1 213.300 2.302 20 0 BEADMN CCN(CCc1ccccc1)Cc1ncc[nH]1 ZINC000109830991 385193250 /nfs/dbraw/zinc/19/32/50/385193250.db2.gz AOEJNSKJJYJZFK-UHFFFAOYSA-N 0 1 229.327 2.474 20 0 BEADMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccncc1 ZINC000062999337 385198313 /nfs/dbraw/zinc/19/83/13/385198313.db2.gz MGUBPBZNDHKBPF-WFASDCNBSA-N 0 1 242.322 2.466 20 0 BEADMN Cc1cncc(CN(C)CCOCC2CC2)c1 ZINC000189920982 385198789 /nfs/dbraw/zinc/19/87/89/385198789.db2.gz WAVFTZYWOIKMKR-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H]2C(C)C)n1 ZINC000424304765 385144298 /nfs/dbraw/zinc/14/42/98/385144298.db2.gz BVWDGZMIUWMUDS-GHMZBOCLSA-N 0 1 235.331 2.009 20 0 BEADMN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCCOC1 ZINC000424319522 385161237 /nfs/dbraw/zinc/16/12/37/385161237.db2.gz IKFCQVLZIBEPFX-MCIONIFRSA-N 0 1 235.302 2.392 20 0 BEADMN CCN(CCOCC(F)F)Cc1ccccn1 ZINC000189543887 385162720 /nfs/dbraw/zinc/16/27/20/385162720.db2.gz OJCGZZHEDQEGSB-UHFFFAOYSA-N 0 1 244.285 2.185 20 0 BEADMN Cn1cccc1[C@H]1CCCN1Cc1cncn1C ZINC000176989084 385164117 /nfs/dbraw/zinc/16/41/17/385164117.db2.gz QNQRGRBHFQRTGN-CQSZACIVSA-N 0 1 244.342 2.096 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@H]2C)n[nH]1 ZINC000176985849 385164526 /nfs/dbraw/zinc/16/45/26/385164526.db2.gz FYHUHTOUGMZMNH-NXEZZACHSA-N 0 1 235.331 2.404 20 0 BEADMN Cc1cc[nH+]c(N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000516653389 385164546 /nfs/dbraw/zinc/16/45/46/385164546.db2.gz BUGQIUJDXHRVLH-NSHDSACASA-N 0 1 246.310 2.081 20 0 BEADMN COC(=O)C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000176980237 385166023 /nfs/dbraw/zinc/16/60/23/385166023.db2.gz VATOJBOIELSIIP-NSHDSACASA-N 0 1 248.326 2.028 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H]2C)n[nH]1 ZINC000176985889 385166690 /nfs/dbraw/zinc/16/66/90/385166690.db2.gz FYHUHTOUGMZMNH-UWVGGRQHSA-N 0 1 235.331 2.404 20 0 BEADMN CCCC[N@@H+](CCCO)Cc1cncc(C)c1 ZINC000190003526 385201270 /nfs/dbraw/zinc/20/12/70/385201270.db2.gz QSYKXGHRUCPDNL-UHFFFAOYSA-N 0 1 236.359 2.375 20 0 BEADMN Cc1ccc(CCN(C)Cc2cnccn2)cc1 ZINC000177244982 385206186 /nfs/dbraw/zinc/20/61/86/385206186.db2.gz DLLMXXZNXCMXRB-UHFFFAOYSA-N 0 1 241.338 2.460 20 0 BEADMN CSCCN(C)Cc1cc(Cl)cn1C ZINC000177267112 385209980 /nfs/dbraw/zinc/20/99/80/385209980.db2.gz KYCRYPUXFXFSBK-UHFFFAOYSA-N 0 1 232.780 2.473 20 0 BEADMN CCOc1ccc(CN2CC[C@H]2CC)nc1 ZINC000644786312 385214991 /nfs/dbraw/zinc/21/49/91/385214991.db2.gz YJLGIGCSKYLFMX-GFCCVEGCSA-N 0 1 220.316 2.465 20 0 BEADMN Cc1cc(CNC(=O)CCCC(C)C)n[nH]1 ZINC000648329719 385216693 /nfs/dbraw/zinc/21/66/93/385216693.db2.gz IFKUPQOFBMYCLE-UHFFFAOYSA-N 0 1 223.320 2.161 20 0 BEADMN CCC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000190170518 385216855 /nfs/dbraw/zinc/21/68/55/385216855.db2.gz QUMSJOQVTYGBOO-UHFFFAOYSA-N 0 1 246.354 2.178 20 0 BEADMN CCOC[C@@H](C)NCc1ccc(Cl)o1 ZINC000044690840 385217571 /nfs/dbraw/zinc/21/75/71/385217571.db2.gz KSRMJCCCRQMTML-MRVPVSSYSA-N 0 1 217.696 2.448 20 0 BEADMN CCCCN(C)Cc1nccc(OC)c1OC ZINC000190301248 385229580 /nfs/dbraw/zinc/22/95/80/385229580.db2.gz OEVCFYBYBRKXTN-UHFFFAOYSA-N 0 1 238.331 2.331 20 0 BEADMN Cc1cnc([C@H](C)N[C@H]2CSC[C@@H]2C)o1 ZINC000308862776 385232029 /nfs/dbraw/zinc/23/20/29/385232029.db2.gz PTHLBJQWMCIDMH-HGNGGELXSA-N 0 1 226.345 2.385 20 0 BEADMN O=C(CCC1CCC1)Nc1ccc2[nH]nnc2c1 ZINC000153124394 385236176 /nfs/dbraw/zinc/23/61/76/385236176.db2.gz FKFLCXHPKXZJPC-UHFFFAOYSA-N 0 1 244.298 2.477 20 0 BEADMN CC(C)CCOc1ccc(NC(=O)CN)cc1 ZINC000033465818 385237086 /nfs/dbraw/zinc/23/70/86/385237086.db2.gz GVKZARGARSLBJC-UHFFFAOYSA-N 0 1 236.315 2.009 20 0 BEADMN Cc1nc(CN2CCSC[C@H](C)C2)oc1C ZINC000190465700 385242337 /nfs/dbraw/zinc/24/23/37/385242337.db2.gz MJBLVDLUKJUBRD-SECBINFHSA-N 0 1 240.372 2.476 20 0 BEADMN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000051361463 385242746 /nfs/dbraw/zinc/24/27/46/385242746.db2.gz HXMRDULFWQXCRR-MRVPVSSYSA-N 0 1 223.272 2.128 20 0 BEADMN COC(=O)c1occc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000153254424 385244566 /nfs/dbraw/zinc/24/45/66/385244566.db2.gz UPLVUCPWPHNECZ-QWRGUYRKSA-N 0 1 249.310 2.298 20 0 BEADMN c1snnc1CN[C@@H]1CC2CCC1CC2 ZINC000308897573 385251342 /nfs/dbraw/zinc/25/13/42/385251342.db2.gz ATNQLXBAFHWXCC-NWGYLPEXSA-N 0 1 223.345 2.206 20 0 BEADMN C[C@H](NCCO)c1nc(C(C)(C)C)cs1 ZINC000045205814 385252265 /nfs/dbraw/zinc/25/22/65/385252265.db2.gz FAYXUOIPTORUNR-QMMMGPOBSA-N 0 1 228.361 2.084 20 0 BEADMN Cc1noc(CN2CC[C@H](C)C[C@H](C)C2)n1 ZINC000127558792 385254998 /nfs/dbraw/zinc/25/49/98/385254998.db2.gz UFHQMRWXIBDMKK-UWVGGRQHSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1ccsc1CN(C)[C@H](C)C[S@](C)=O ZINC000131042942 385303137 /nfs/dbraw/zinc/30/31/37/385303137.db2.gz VSRAAYYTQDHIBV-MEBBXXQBSA-N 0 1 245.413 2.255 20 0 BEADMN Cn1nncc1CN[C@@H]1CCCc2sccc21 ZINC000157909160 385305107 /nfs/dbraw/zinc/30/51/07/385305107.db2.gz FINDGQSYLLSTPK-LLVKDONJSA-N 0 1 248.355 2.044 20 0 BEADMN Cc1nc(CN2CCC[C@@](C)(O)CC2)cs1 ZINC000230380122 385259525 /nfs/dbraw/zinc/25/95/25/385259525.db2.gz FBJBYXSEPFFEAP-GFCCVEGCSA-N 0 1 240.372 2.188 20 0 BEADMN NC1(c2noc([C@H]3CC34CCC4)n2)CCC1 ZINC000647140967 385278350 /nfs/dbraw/zinc/27/83/50/385278350.db2.gz OGLDEYWBNGEBRW-MRVPVSSYSA-N 0 1 219.288 2.065 20 0 BEADMN CCc1nnc(CN(CC)[C@H](C)C(C)C)[nH]1 ZINC000157860312 385295043 /nfs/dbraw/zinc/29/50/43/385295043.db2.gz CEFJDYYBBHMDCW-SNVBAGLBSA-N 0 1 224.352 2.234 20 0 BEADMN COC[C@@H](NCC[C@H](C)F)c1ccco1 ZINC000308939918 385297549 /nfs/dbraw/zinc/29/75/49/385297549.db2.gz LWKKXCNVQSIEOO-VHSXEESVSA-N 0 1 215.268 2.305 20 0 BEADMN CCC1(CNC(=O)[C@H](N)c2ccc(C)cc2)CC1 ZINC000228086292 385333203 /nfs/dbraw/zinc/33/32/03/385333203.db2.gz WZTVUZQICZYABN-CYBMUJFWSA-N 0 1 246.354 2.301 20 0 BEADMN C[C@@](O)(CNCc1ncc(Cl)s1)C1CC1 ZINC000308988613 385334912 /nfs/dbraw/zinc/33/49/12/385334912.db2.gz MXNVRVPWBKOZOO-SNVBAGLBSA-N 0 1 246.763 2.047 20 0 BEADMN Cc1noc([C@H](C)N[C@H](C)CC(C)C)n1 ZINC000309011706 385358311 /nfs/dbraw/zinc/35/83/11/385358311.db2.gz SAUSFZGZCBHTAT-BDAKNGLRSA-N 0 1 211.309 2.463 20 0 BEADMN CCC1(CNC(=O)[C@@](C)(N)c2ccccc2)CC1 ZINC000192474990 385359056 /nfs/dbraw/zinc/35/90/56/385359056.db2.gz LCYBSHRCJRYOLZ-AWEZNQCLSA-N 0 1 246.354 2.167 20 0 BEADMN CC[C@H]1CC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192618552 385364083 /nfs/dbraw/zinc/36/40/83/385364083.db2.gz QHOMXFSGHQVYCT-QWRGUYRKSA-N 0 1 235.331 2.284 20 0 BEADMN CC[C@H]1CC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192618552 385364087 /nfs/dbraw/zinc/36/40/87/385364087.db2.gz QHOMXFSGHQVYCT-QWRGUYRKSA-N 0 1 235.331 2.284 20 0 BEADMN CC[N@H+](CC1CC1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586780 385364806 /nfs/dbraw/zinc/36/48/06/385364806.db2.gz NAQZJJXYGVDBOB-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN CC[N@@H+](CC1CC1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192586780 385364812 /nfs/dbraw/zinc/36/48/12/385364812.db2.gz NAQZJJXYGVDBOB-JTQLQIEISA-N 0 1 235.331 2.284 20 0 BEADMN C[C@@H](O)CN1CCc2cc(Cl)ccc2C1 ZINC000192819992 385372439 /nfs/dbraw/zinc/37/24/39/385372439.db2.gz KTJBKOUMBQHRAY-SECBINFHSA-N 0 1 225.719 2.079 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2C[C@@H](C)[C@H]2C)n1 ZINC000309019714 385372667 /nfs/dbraw/zinc/37/26/67/385372667.db2.gz WICFQAJYLZKMCP-BDNRQGISSA-N 0 1 209.293 2.073 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2C[C@H](C)[C@@H]2C)n1 ZINC000309019713 385373609 /nfs/dbraw/zinc/37/36/09/385373609.db2.gz WICFQAJYLZKMCP-AZQAYCESSA-N 0 1 209.293 2.073 20 0 BEADMN C[C@@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000192985004 385378996 /nfs/dbraw/zinc/37/89/96/385378996.db2.gz SMFVFIOIONNJBP-SECBINFHSA-N 0 1 225.719 2.079 20 0 BEADMN CC(C)(C)c1nc(CNCCCCO)cs1 ZINC000193282284 385390679 /nfs/dbraw/zinc/39/06/79/385390679.db2.gz VUDNNIOGRJDSAA-UHFFFAOYSA-N 0 1 242.388 2.303 20 0 BEADMN C[C@H](O)CN1CCc2c(Cl)cccc2C1 ZINC000192984992 385379633 /nfs/dbraw/zinc/37/96/33/385379633.db2.gz SMFVFIOIONNJBP-VIFPVBQESA-N 0 1 225.719 2.079 20 0 BEADMN C[C@H](NCC[N@H+]1CC=CCC1)c1cscn1 ZINC000280863120 385382782 /nfs/dbraw/zinc/38/27/82/385382782.db2.gz CIZAALACJIXKFR-NSHDSACASA-N 0 1 237.372 2.056 20 0 BEADMN C[C@H](NCCN1CC=CCC1)c1cscn1 ZINC000280863120 385382791 /nfs/dbraw/zinc/38/27/91/385382791.db2.gz CIZAALACJIXKFR-NSHDSACASA-N 0 1 237.372 2.056 20 0 BEADMN C[N@@H+](CC(=O)NCc1ccccc1)C1CCCC1 ZINC000193118614 385384788 /nfs/dbraw/zinc/38/47/88/385384788.db2.gz CGRCLKOXHZBVAY-UHFFFAOYSA-N 0 1 246.354 2.177 20 0 BEADMN C[C@@H](NCCF)c1ccccc1N(C)C ZINC000281019146 385388339 /nfs/dbraw/zinc/38/83/39/385388339.db2.gz MAQOEFCSSHAJTR-SNVBAGLBSA-N 0 1 210.296 2.373 20 0 BEADMN CC[C@@H](F)CN[C@@H](CO)c1ccccc1 ZINC000308971498 385327399 /nfs/dbraw/zinc/32/73/99/385327399.db2.gz ZVCPCEZIUALRJR-NEPJUHHUSA-N 0 1 211.280 2.058 20 0 BEADMN Cc1ccc(NC(=O)CN2CCC[C@@H]2C)cc1 ZINC000154454088 385328187 /nfs/dbraw/zinc/32/81/87/385328187.db2.gz GBPFLJSAEBDEDC-LBPRGKRZSA-N 0 1 232.327 2.418 20 0 BEADMN CCc1ccc(CNC(C)(C)CF)cn1 ZINC000309065988 385392243 /nfs/dbraw/zinc/39/22/43/385392243.db2.gz ZLXSEMIWNWBOFG-UHFFFAOYSA-N 0 1 210.296 2.482 20 0 BEADMN COC(=O)[C@H]1CCCN1CCCC(C)(C)C ZINC000309076069 385397149 /nfs/dbraw/zinc/39/71/49/385397149.db2.gz ZBHSOSRFXGKOIA-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN Cc1ccc(CN2CC[C@@H](O)C2)cc1Cl ZINC000193669067 385407345 /nfs/dbraw/zinc/40/73/45/385407345.db2.gz PYISCIXBJJMJBH-LLVKDONJSA-N 0 1 225.719 2.215 20 0 BEADMN CCN1CCN(C[C@@H](C)CC(C)(C)C)CC1=O ZINC001645241381 1172645556 /nfs/dbraw/zinc/64/55/56/1172645556.db2.gz LHGTZYPUECPRGO-LBPRGKRZSA-N 0 1 240.391 2.223 20 0 BEADMN CC[C@H](C)CNC(=O)c1ccc(F)cc1O ZINC000233987813 259665363 /nfs/dbraw/zinc/66/53/63/259665363.db2.gz BISKIYRPOMPGAP-QMMMGPOBSA-N 0 1 225.263 2.307 20 0 BEADMN Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000054067875 385441129 /nfs/dbraw/zinc/44/11/29/385441129.db2.gz CTZPTTQFEQJDGE-NSHDSACASA-N 0 1 221.300 2.208 20 0 BEADMN Cc1noc([C@@H](C)NCCC(C)(C)C)n1 ZINC000309159422 385441445 /nfs/dbraw/zinc/44/14/45/385441445.db2.gz YKDNJLQCQXRUCL-MRVPVSSYSA-N 0 1 211.309 2.465 20 0 BEADMN CSCCN1CCn2cccc2[C@H]1C ZINC000170744940 385441633 /nfs/dbraw/zinc/44/16/33/385441633.db2.gz JRQLPHLYZUUGCO-SNVBAGLBSA-N 0 1 210.346 2.228 20 0 BEADMN CN(C)CC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000170755215 385444189 /nfs/dbraw/zinc/44/41/89/385444189.db2.gz FNUOFGLYDQWSAU-CQSZACIVSA-N 0 1 248.370 2.452 20 0 BEADMN CC1(C)CC([NH2+]Cc2ncccc2[O-])C1 ZINC000309133045 385431183 /nfs/dbraw/zinc/43/11/83/385431183.db2.gz RJGMCUAWCIRHMI-UHFFFAOYSA-N 0 1 206.289 2.065 20 0 BEADMN C[C@@H]1OCCN(Cc2ccccc2)[C@H]1C ZINC000156112949 385436477 /nfs/dbraw/zinc/43/64/77/385436477.db2.gz BLWKKFHAEBJAEQ-RYUDHWBXSA-N 0 1 205.301 2.296 20 0 BEADMN CC(C)CO[C@@H]1CCN(Cc2ccncc2)C1 ZINC000156925731 385473718 /nfs/dbraw/zinc/47/37/18/385473718.db2.gz SFVLUHCPKZVUKA-CQSZACIVSA-N 0 1 234.343 2.329 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1ccccc1F ZINC000179607164 385477924 /nfs/dbraw/zinc/47/79/24/385477924.db2.gz PQVDLVCAMAUSQF-UHFFFAOYSA-N 0 1 219.263 2.181 20 0 BEADMN CC[C@@H](CNCc1cccnc1Cl)OC ZINC000289814781 385487817 /nfs/dbraw/zinc/48/78/17/385487817.db2.gz NIFHLYCSQWDYKK-JTQLQIEISA-N 0 1 228.723 2.250 20 0 BEADMN C[C@H]1c2ccccc2CCN1C(=O)c1ccn[nH]1 ZINC000171506222 385491320 /nfs/dbraw/zinc/49/13/20/385491320.db2.gz ILYFPBUVEDJEKV-JTQLQIEISA-N 0 1 241.294 2.169 20 0 BEADMN Cc1ccc([C@H]2[C@H](C)CCCN2CC(N)=O)cc1 ZINC000157699427 385517382 /nfs/dbraw/zinc/51/73/82/385517382.db2.gz PIXAVDICQZYFKR-IUODEOHRSA-N 0 1 246.354 2.253 20 0 BEADMN CN(Cc1cnc[nH]1)C(=O)[C@H]1CCCC1(C)C ZINC000616928121 385491626 /nfs/dbraw/zinc/49/16/26/385491626.db2.gz XJVAUZOJTHSTFH-LLVKDONJSA-N 0 1 235.331 2.194 20 0 BEADMN Cc1cc(C)c(CN(C)Cc2nnc[nH]2)cc1C ZINC000179789855 385492577 /nfs/dbraw/zinc/49/25/77/385492577.db2.gz HYZCNJCOUHILKT-UHFFFAOYSA-N 0 1 244.342 2.362 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nnc[nH]2)o1 ZINC000179794904 385492857 /nfs/dbraw/zinc/49/28/57/385492857.db2.gz MBWMJMIMNXZAQO-KOLCDFICSA-N 0 1 246.314 2.153 20 0 BEADMN CO[C@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000183951897 385503107 /nfs/dbraw/zinc/50/31/07/385503107.db2.gz RWZRQSZCQRQVOD-MRVPVSSYSA-N 0 1 228.361 2.311 20 0 BEADMN CCC[C@](C)(O)CNCc1ncc(C)s1 ZINC000295259593 385508077 /nfs/dbraw/zinc/50/80/77/385508077.db2.gz UXDHKTFZIXIZRA-NSHDSACASA-N 0 1 228.361 2.092 20 0 BEADMN Cc1noc(C)c1CN1CCS[C@H](C)C1 ZINC000171701469 385510000 /nfs/dbraw/zinc/51/00/00/385510000.db2.gz CGZGZEUKCOPAQH-MRVPVSSYSA-N 0 1 226.345 2.229 20 0 BEADMN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000108143344 385513458 /nfs/dbraw/zinc/51/34/58/385513458.db2.gz OCIQLXVXAWIJLO-HNNXBMFYSA-N 0 1 246.354 2.096 20 0 BEADMN CONC(=O)CSCc1cccc(Cl)c1 ZINC000053720599 385518303 /nfs/dbraw/zinc/51/83/03/385518303.db2.gz VLMUXMSNVDIFPL-UHFFFAOYSA-N 0 1 245.731 2.251 20 0 BEADMN Cc1ccc(CN2CC[C@@](F)(CO)C2)cc1C ZINC000334185371 385516854 /nfs/dbraw/zinc/51/68/54/385516854.db2.gz FAEPHBXTIZUSDU-AWEZNQCLSA-N 0 1 237.318 2.210 20 0 BEADMN Cc1c([C@H](C)NC/C=C/Cl)cnn1C ZINC000183447857 385546566 /nfs/dbraw/zinc/54/65/66/385546566.db2.gz OOBBXUGFKJLWBZ-ZJELKQJVSA-N 0 1 213.712 2.132 20 0 BEADMN CC(C)n1ncnc1CN1CCC[C@@H]1C1CC1 ZINC000364833517 385524413 /nfs/dbraw/zinc/52/44/13/385524413.db2.gz JRXXDQTXUYPUDB-GFCCVEGCSA-N 0 1 234.347 2.233 20 0 BEADMN Cc1cnc(C[N@@H+](C)C[C@@H]2CCCOC2)s1 ZINC000180485948 385525580 /nfs/dbraw/zinc/52/55/80/385525580.db2.gz QDGBSGAZSNFZTO-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN Cc1cnc(CN(C)C[C@@H]2CCCOC2)s1 ZINC000180485948 385525582 /nfs/dbraw/zinc/52/55/82/385525582.db2.gz QDGBSGAZSNFZTO-NSHDSACASA-N 0 1 240.372 2.310 20 0 BEADMN Cc1nc(CN[C@@](C)(CO)C(C)C)c(C)s1 ZINC000309421900 385576446 /nfs/dbraw/zinc/57/64/46/385576446.db2.gz ZWAIKHITWUAGJO-LBPRGKRZSA-N 0 1 242.388 2.257 20 0 BEADMN Cc1nc(CN(C)C[C@H]2CCCOC2)oc1C ZINC000107690572 385576612 /nfs/dbraw/zinc/57/66/12/385576612.db2.gz GQQHJPPAAWKVJL-GFCCVEGCSA-N 0 1 238.331 2.150 20 0 BEADMN Cc1nnc([C@@H](C)N2CC[C@H](CC3CC3)C2)[nH]1 ZINC000411768737 385606410 /nfs/dbraw/zinc/60/64/10/385606410.db2.gz GEYYDQZICILAJA-BXKDBHETSA-N 0 1 234.347 2.296 20 0 BEADMN CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000108154476 385602421 /nfs/dbraw/zinc/60/24/21/385602421.db2.gz ZNZOCUQGJYBCDC-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCCc1csc(CNCCC(C)(C)O)n1 ZINC000336676724 385604363 /nfs/dbraw/zinc/60/43/63/385604363.db2.gz BHLFTHAWJIKJLT-UHFFFAOYSA-N 0 1 242.388 2.346 20 0 BEADMN CC[C@H]1CCCN(Cc2nccn2C)CC1 ZINC000117344624 385578270 /nfs/dbraw/zinc/57/82/70/385578270.db2.gz RBECGPRZNOEQTB-LBPRGKRZSA-N 0 1 221.348 2.432 20 0 BEADMN CC[C@H](CSC)NCc1cn(C(C)C)nn1 ZINC000309437553 385581926 /nfs/dbraw/zinc/58/19/26/385581926.db2.gz YQZYGFOLYZBQIZ-SNVBAGLBSA-N 0 1 242.392 2.090 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@@H]1NCc1cc[nH]n1 ZINC000337306551 385592714 /nfs/dbraw/zinc/59/27/14/385592714.db2.gz RVXHQVGBGCWYJM-VHSXEESVSA-N 0 1 245.273 2.050 20 0 BEADMN Cc1ccncc1CN(C)CCOCC1CC1 ZINC000269624749 385615544 /nfs/dbraw/zinc/61/55/44/385615544.db2.gz OKQLFRDNCVBSPJ-UHFFFAOYSA-N 0 1 234.343 2.248 20 0 BEADMN CCCc1csc(CN[C@@H](C)C[C@@H](C)O)n1 ZINC000309491357 385618465 /nfs/dbraw/zinc/61/84/65/385618465.db2.gz XFTCFIZOYCDVOS-VHSXEESVSA-N 0 1 242.388 2.345 20 0 BEADMN CC(C)(C)SCCNCc1ncc[nH]1 ZINC000066593879 385622241 /nfs/dbraw/zinc/62/22/41/385622241.db2.gz GQGZUAMFCQOOFY-UHFFFAOYSA-N 0 1 213.350 2.031 20 0 BEADMN CCCN(CN1CC(C)(C)OC1=O)C1CC1 ZINC000495598416 385624131 /nfs/dbraw/zinc/62/41/31/385624131.db2.gz RGPYZGSOCYCQPO-UHFFFAOYSA-N 0 1 226.320 2.049 20 0 BEADMN Cc1[nH]ncc1CNc1nnc(CC(C)(C)C)o1 ZINC000181965864 385625234 /nfs/dbraw/zinc/62/52/34/385625234.db2.gz SRYBNBOZLINHJA-UHFFFAOYSA-N 0 1 249.318 2.302 20 0 BEADMN CCN(C)Cc1ccnn1-c1ccccc1OC ZINC000281070662 385633195 /nfs/dbraw/zinc/63/31/95/385633195.db2.gz IFUAHJLVHILBQQ-UHFFFAOYSA-N 0 1 245.326 2.333 20 0 BEADMN c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281107919 385635952 /nfs/dbraw/zinc/63/59/52/385635952.db2.gz NAZRRTFSFJITSR-KGLIPLIRSA-N 0 1 217.312 2.440 20 0 BEADMN Cc1ccncc1CN1CCSC[C@@H]1C ZINC000269578411 385609490 /nfs/dbraw/zinc/60/94/90/385609490.db2.gz FXGBHUNYMBIMGI-NSHDSACASA-N 0 1 222.357 2.327 20 0 BEADMN CN(C)CC(=O)N(CC1CCCCC1)C1CC1 ZINC000340072476 385638867 /nfs/dbraw/zinc/63/88/67/385638867.db2.gz IQVWYVZQLKHFJT-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1cccc(NC[C@@H]2CCOC[C@@H]2C)n1 ZINC000309503411 385641007 /nfs/dbraw/zinc/64/10/07/385641007.db2.gz VHLGKTBSODEPQT-JQWIXIFHSA-N 0 1 220.316 2.475 20 0 BEADMN FC(F)O[C@@H]1CCCC[C@@H]1NCc1ccon1 ZINC000337415756 385645716 /nfs/dbraw/zinc/64/57/16/385645716.db2.gz PDVFUFQQUIURAX-VHSXEESVSA-N 0 1 246.257 2.315 20 0 BEADMN COC[C@H](C)CNc1ccnc(C)c1Cl ZINC000336683262 385648711 /nfs/dbraw/zinc/64/87/11/385648711.db2.gz JSXFCMTYCGATKU-MRVPVSSYSA-N 0 1 228.723 2.160 20 0 BEADMN Cc1nnc([C@H](C)NCC[C@H]2CCCO2)s1 ZINC000309513090 385649970 /nfs/dbraw/zinc/64/99/70/385649970.db2.gz XWZSTUANLQBDAV-WCBMZHEXSA-N 0 1 241.360 2.066 20 0 BEADMN CSCCCN(C)Cc1cc(C)no1 ZINC000281279961 385651930 /nfs/dbraw/zinc/65/19/30/385651930.db2.gz GHEZDTOYGCTKCS-UHFFFAOYSA-N 0 1 214.334 2.168 20 0 BEADMN Cc1noc(CCCN2CCC[C@@](C)(F)C2)n1 ZINC000451118152 385656165 /nfs/dbraw/zinc/65/61/65/385656165.db2.gz XIBONYUXNYNILN-GFCCVEGCSA-N 0 1 241.310 2.135 20 0 BEADMN F[C@H]1CCC[C@H]1NCc1cncs1 ZINC000307157258 385660523 /nfs/dbraw/zinc/66/05/23/385660523.db2.gz PTRPVGPFCTVJDL-DTWKUNHWSA-N 0 1 200.282 2.123 20 0 BEADMN C/C(Cl)=C\CN(C)[C@@H]1CCCOC1 ZINC000528503128 385675690 /nfs/dbraw/zinc/67/56/90/385675690.db2.gz CXJXOTUWLFHRKZ-NAZIUFLLSA-N 0 1 203.713 2.240 20 0 BEADMN CC(C)n1ccc(CN[C@@H]2CSC[C@@H]2C)n1 ZINC000309535842 385676424 /nfs/dbraw/zinc/67/64/24/385676424.db2.gz DYNPVRYXVDLUKJ-CMPLNLGQSA-N 0 1 239.388 2.305 20 0 BEADMN CC[C@H](NCc1csc(C)n1)[C@@H](O)C(C)C ZINC000414527638 385677427 /nfs/dbraw/zinc/67/74/27/385677427.db2.gz NCENCBCWETXPLE-RYUDHWBXSA-N 0 1 242.388 2.337 20 0 BEADMN C[C@H](C(=O)NO[C@H]1CCCCO1)c1ccccc1 ZINC000182531310 385679888 /nfs/dbraw/zinc/67/98/88/385679888.db2.gz CVTUZHXDDNGGHN-AAEUAGOBSA-N 0 1 249.310 2.365 20 0 BEADMN CCSCCN[C@H](COC)c1ccco1 ZINC000184595940 385681988 /nfs/dbraw/zinc/68/19/88/385681988.db2.gz WSEVEMIFVYTDGM-SNVBAGLBSA-N 0 1 229.345 2.310 20 0 BEADMN Cc1noc(C)c1NC(=O)c1cc(C2CC2)no1 ZINC000281586773 385683372 /nfs/dbraw/zinc/68/33/72/385683372.db2.gz GODHNUNYFNPCHJ-UHFFFAOYSA-N 0 1 247.254 2.409 20 0 BEADMN COc1nccnc1CN1CC(C)(C)C[C@H]1C ZINC000414530042 385685502 /nfs/dbraw/zinc/68/55/02/385685502.db2.gz WOCIKUPZPYNXJJ-SNVBAGLBSA-N 0 1 235.331 2.106 20 0 BEADMN Cn1cncc1CN[C@H](c1cccnc1)C1CC1 ZINC000340102276 385687233 /nfs/dbraw/zinc/68/72/33/385687233.db2.gz DXCVUHCOLOWHRG-AWEZNQCLSA-N 0 1 242.326 2.056 20 0 BEADMN CC(C)Cc1ncc(CN(C)CCCO)s1 ZINC000281643581 385689482 /nfs/dbraw/zinc/68/94/82/385689482.db2.gz ATQBEKKSKNEXEK-UHFFFAOYSA-N 0 1 242.388 2.156 20 0 BEADMN C[C@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000645225045 385690246 /nfs/dbraw/zinc/69/02/46/385690246.db2.gz LUZDOJKBDFCZFC-SMDDNHRTSA-N 0 1 217.312 2.395 20 0 BEADMN O[C@H](CCc1ccccc1)CN1CC[C@@H](F)C1 ZINC000451197384 385693635 /nfs/dbraw/zinc/69/36/35/385693635.db2.gz OBUVXBPBVNOWLB-ZIAGYGMSSA-N 0 1 237.318 2.024 20 0 BEADMN CSCCCN[C@@H](C)c1ccon1 ZINC000336653989 385718633 /nfs/dbraw/zinc/71/86/33/385718633.db2.gz MTYQBQXHFGCGIU-QMMMGPOBSA-N 0 1 200.307 2.078 20 0 BEADMN CN(Cc1cccc2c1OCCCO2)C1CC1 ZINC000271094280 385785652 /nfs/dbraw/zinc/78/56/52/385785652.db2.gz YANAETDOLXHZGL-UHFFFAOYSA-N 0 1 233.311 2.442 20 0 BEADMN O=C([O-])CCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000116392327 385732092 /nfs/dbraw/zinc/73/20/92/385732092.db2.gz YFKMEYSZPZOVEI-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN CC(=O)CCN(C)Cc1ccccc1N(C)C ZINC000270728117 385736225 /nfs/dbraw/zinc/73/62/25/385736225.db2.gz JEUGUOZCSPBIRR-UHFFFAOYSA-N 0 1 234.343 2.164 20 0 BEADMN C[C@@]12CN(Cc3cnns3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451358422 385785950 /nfs/dbraw/zinc/78/59/50/385785950.db2.gz FXHGIFQBBILRSC-DNIRFERGSA-N 0 1 247.367 2.182 20 0 BEADMN CCCCCC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000270803191 385746150 /nfs/dbraw/zinc/74/61/50/385746150.db2.gz WVGHYYDGEPPBST-VIFPVBQESA-N 0 1 238.335 2.125 20 0 BEADMN C[C@@H](CCC1CC1)NCc1csnn1 ZINC000336697265 385750331 /nfs/dbraw/zinc/75/03/31/385750331.db2.gz UOOOATZWMRLECG-QMMMGPOBSA-N 0 1 211.334 2.206 20 0 BEADMN CCc1nnc(CN[C@H](C)CCCOC)s1 ZINC000309628618 385755839 /nfs/dbraw/zinc/75/58/39/385755839.db2.gz HEOHDMXUKDFOCS-SECBINFHSA-N 0 1 243.376 2.005 20 0 BEADMN Cc1cc(C)n(CCN(C)Cc2cccnc2)n1 ZINC000271028241 385772550 /nfs/dbraw/zinc/77/25/50/385772550.db2.gz PODJLEVBXCKWHL-UHFFFAOYSA-N 0 1 244.342 2.027 20 0 BEADMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000062751187 385775622 /nfs/dbraw/zinc/77/56/22/385775622.db2.gz GUDZOYWEQINRQP-UHFFFAOYSA-N 0 1 223.247 2.118 20 0 BEADMN CO[C@H](CSc1cn[nH]n1)c1ccccc1 ZINC000282640298 385775688 /nfs/dbraw/zinc/77/56/88/385775688.db2.gz KYPNCIHMPISOOT-SNVBAGLBSA-N 0 1 235.312 2.285 20 0 BEADMN Cc1nc(=NOCC(C)C)cc(Cl)[nH]1 ZINC000271059516 385778010 /nfs/dbraw/zinc/77/80/10/385778010.db2.gz SBFNOFAPKOQJJW-UHFFFAOYSA-N 0 1 215.684 2.438 20 0 BEADMN C[C@@H]1C[C@H]1CNCc1nnc(C2CC2)s1 ZINC000414558964 385779001 /nfs/dbraw/zinc/77/90/01/385779001.db2.gz TZKAMAKJPKFTSB-APPZFPTMSA-N 0 1 223.345 2.161 20 0 BEADMN C[N@@H+](CCc1ccc2ccccc2c1)CC(=O)[O-] ZINC000258970120 385780916 /nfs/dbraw/zinc/78/09/16/385780916.db2.gz KGKWPVUMPBAVRV-UHFFFAOYSA-N 0 1 243.306 2.399 20 0 BEADMN Cc1nc(CN[C@@H](CCO)C(C)(C)C)cs1 ZINC000183653995 385781293 /nfs/dbraw/zinc/78/12/93/385781293.db2.gz GFWMLBCENNWRFZ-NSHDSACASA-N 0 1 242.388 2.338 20 0 BEADMN Cc1cn2c(n1)CN(CCCC(C)C)CC2 ZINC000363868471 385784459 /nfs/dbraw/zinc/78/44/59/385784459.db2.gz VUAIEBGITGGUBF-UHFFFAOYSA-N 0 1 221.348 2.443 20 0 BEADMN CC(C)=CCN[C@@H](CCO)c1ccco1 ZINC000185113149 385720050 /nfs/dbraw/zinc/72/00/50/385720050.db2.gz LGJBYRGFALKIBT-NSHDSACASA-N 0 1 209.289 2.259 20 0 BEADMN CCc1ccc(CN2CCC(C)(O)CC2)o1 ZINC000271206034 385804165 /nfs/dbraw/zinc/80/41/65/385804165.db2.gz VXQPDFXMRFUEEA-UHFFFAOYSA-N 0 1 223.316 2.189 20 0 BEADMN CC[C@H]1CCC[C@H]1C(=O)NCc1cn[nH]c1C ZINC000294205022 385821892 /nfs/dbraw/zinc/82/18/92/385821892.db2.gz CBAFULACINIJGU-CMPLNLGQSA-N 0 1 235.331 2.161 20 0 BEADMN C[C@H]1CN(CC(=O)OC(C)(C)C)CC[C@@H]1C ZINC000122858425 385822113 /nfs/dbraw/zinc/82/21/13/385822113.db2.gz WBWUZEVRXFSVHO-QWRGUYRKSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H]1CC[C@H](C)N1C(=O)c1cnc(C)[nH]1 ZINC000271476794 385832709 /nfs/dbraw/zinc/83/27/09/385832709.db2.gz TVPBKVNZWZAGSZ-WPRPVWTQSA-N 0 1 221.304 2.121 20 0 BEADMN O=C(CCCC1CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000643231847 385834932 /nfs/dbraw/zinc/83/49/32/385834932.db2.gz NSULSHGGXHFCRH-LBPRGKRZSA-N 0 1 247.342 2.484 20 0 BEADMN Cc1c(CN[C@H](C)c2cnccc2C)cnn1C ZINC000271574264 385838398 /nfs/dbraw/zinc/83/83/98/385838398.db2.gz XMSZFJIOTSRMMT-LLVKDONJSA-N 0 1 244.342 2.283 20 0 BEADMN C[C@H](NCCF)c1ccc2c(c1)OCCCO2 ZINC000271644159 385843817 /nfs/dbraw/zinc/84/38/17/385843817.db2.gz HPHCNDMYPVQPKU-JTQLQIEISA-N 0 1 239.290 2.468 20 0 BEADMN CO[C@H](CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000283994333 385845232 /nfs/dbraw/zinc/84/52/32/385845232.db2.gz NDSUHFXRGFUGGN-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN C[C@@H](NCc1ccn(C)c1)c1ccncc1F ZINC000337949119 385858607 /nfs/dbraw/zinc/85/86/07/385858607.db2.gz MMBFJGNWZFUDOR-SNVBAGLBSA-N 0 1 233.290 2.410 20 0 BEADMN Cc1cn[nH]c1CN(C)[C@@H](C)c1ccncc1 ZINC000284139503 385854271 /nfs/dbraw/zinc/85/42/71/385854271.db2.gz QAHSYLZPPRMNCP-NSHDSACASA-N 0 1 230.315 2.306 20 0 BEADMN CC(C)(C)[C@@H](O)CNC(C)(C)c1nccs1 ZINC000284206684 385855099 /nfs/dbraw/zinc/85/50/99/385855099.db2.gz ZBLXEFGBPKLKIY-VIFPVBQESA-N 0 1 242.388 2.375 20 0 BEADMN Cc1occc1CNCc1cccn1C ZINC000336741304 385855867 /nfs/dbraw/zinc/85/58/67/385855867.db2.gz VLFLTPCQDNHINJ-UHFFFAOYSA-N 0 1 204.273 2.216 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1nccs1 ZINC000308290362 385788809 /nfs/dbraw/zinc/78/88/09/385788809.db2.gz DNECBMPWZRXXDO-HTQZYQBOSA-N 0 1 214.359 2.127 20 0 BEADMN CC[C@@H]1CN(Cc2ccn(C)c2)C[C@@H](C)O1 ZINC000271143324 385791763 /nfs/dbraw/zinc/79/17/63/385791763.db2.gz QHCCZLYKDSGDBH-DGCLKSJQSA-N 0 1 222.332 2.024 20 0 BEADMN COCc1ccc(CN2CCS[C@H](C)C2)o1 ZINC000271138061 385791971 /nfs/dbraw/zinc/79/19/71/385791971.db2.gz ATRJAKJXGVVDDS-SNVBAGLBSA-N 0 1 241.356 2.363 20 0 BEADMN OC1(CCNCc2c(F)cccc2F)CCC1 ZINC000283807095 385794461 /nfs/dbraw/zinc/79/44/61/385794461.db2.gz BDFGPNNJHWSSEW-UHFFFAOYSA-N 0 1 241.281 2.360 20 0 BEADMN CC1(C)C[C@H]1N[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294697092 385884151 /nfs/dbraw/zinc/88/41/51/385884151.db2.gz IVIQRBJKLDKJPQ-ZJUUUORDSA-N 0 1 248.355 2.344 20 0 BEADMN CN(CCC1CC1)C(=O)c1ccc2cncn2c1 ZINC000284739970 385884231 /nfs/dbraw/zinc/88/42/31/385884231.db2.gz HIPSKIMIURDYLO-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000294710389 385885548 /nfs/dbraw/zinc/88/55/48/385885548.db2.gz VWZYANDIRSTFDS-NXEZZACHSA-N 0 1 236.319 2.268 20 0 BEADMN CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nnc(C)[nH]1 ZINC000294710401 385886044 /nfs/dbraw/zinc/88/60/44/385886044.db2.gz VWZYANDIRSTFDS-ZJUUUORDSA-N 0 1 236.319 2.268 20 0 BEADMN Cc1cnc(CNCCc2ccccc2O)s1 ZINC000294704320 385886323 /nfs/dbraw/zinc/88/63/23/385886323.db2.gz AYKICYHGYLAMMA-UHFFFAOYSA-N 0 1 248.351 2.489 20 0 BEADMN CC[C@H]1CN(Cc2ccc(CO)cc2)C[C@H](C)O1 ZINC000272303208 385891993 /nfs/dbraw/zinc/89/19/93/385891993.db2.gz JEFNQAOUZJFRTI-WFASDCNBSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000123619516 385896165 /nfs/dbraw/zinc/89/61/65/385896165.db2.gz AQTTUGXOROLLMD-GHMZBOCLSA-N 0 1 213.321 2.060 20 0 BEADMN COC1(C)CCN(Cc2cncs2)CC1 ZINC000272405301 385900100 /nfs/dbraw/zinc/90/01/00/385900100.db2.gz YBXNVHCQBFTXMX-UHFFFAOYSA-N 0 1 226.345 2.144 20 0 BEADMN COc1nccnc1CN1CCC[C@H](C)CC1 ZINC000294845026 385903377 /nfs/dbraw/zinc/90/33/77/385903377.db2.gz OLMSTGQTEVIGRB-NSHDSACASA-N 0 1 235.331 2.107 20 0 BEADMN COc1c(O)cccc1CNCc1ccn(C)c1 ZINC000272462674 385904472 /nfs/dbraw/zinc/90/44/72/385904472.db2.gz QXABKLHFXZOGSQ-UHFFFAOYSA-N 0 1 246.310 2.029 20 0 BEADMN Cc1ccsc1CNCc1n[nH]c(C2CC2)n1 ZINC000294875280 385907248 /nfs/dbraw/zinc/90/72/48/385907248.db2.gz VAMFFCOFDIDBPF-UHFFFAOYSA-N 0 1 248.355 2.342 20 0 BEADMN Cc1nc(CN2C[C@H]3CCC[C@@H]3C2)co1 ZINC000647966571 385911023 /nfs/dbraw/zinc/91/10/23/385911023.db2.gz ZKBZIRPDGQARTL-GHMZBOCLSA-N 0 1 206.289 2.215 20 0 BEADMN CC/C=C/CNCc1cccc(O)c1OC ZINC000294915057 385916686 /nfs/dbraw/zinc/91/66/86/385916686.db2.gz FEIIQFYYIKYVBB-SNAWJCMRSA-N 0 1 221.300 2.457 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1cncs1 ZINC000122448961 385918878 /nfs/dbraw/zinc/91/88/78/385918878.db2.gz RCORAXUSOZXSRS-VIFPVBQESA-N 0 1 221.329 2.332 20 0 BEADMN CC[C@H](F)CN[C@H](CCO)c1ccccc1 ZINC000336746093 385919017 /nfs/dbraw/zinc/91/90/17/385919017.db2.gz WECMNBUAPHZFHI-QWHCGFSZSA-N 0 1 225.307 2.448 20 0 BEADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(=O)[nH]n1 ZINC000353676278 385919120 /nfs/dbraw/zinc/91/91/20/385919120.db2.gz WUXPTGCTCFMMRB-NKWVEPMBSA-N 0 1 249.236 2.031 20 0 BEADMN COc1ccccc1CSc1cn[nH]n1 ZINC000342074561 385920983 /nfs/dbraw/zinc/92/09/83/385920983.db2.gz KOAQMUALLBJQGW-UHFFFAOYSA-N 0 1 221.285 2.106 20 0 BEADMN COC(=O)c1ccc(CN2CCCC[C@H]2C)[nH]1 ZINC000272711593 385926377 /nfs/dbraw/zinc/92/63/77/385926377.db2.gz BIQSBQZPIWKFBE-SNVBAGLBSA-N 0 1 236.315 2.176 20 0 BEADMN CO[C@H]1C[C@@H](N(C)Cc2cccc(Cl)n2)C1 ZINC000285446900 385927539 /nfs/dbraw/zinc/92/75/39/385927539.db2.gz SEHSATRBEFGSGL-PHIMTYICSA-N 0 1 240.734 2.344 20 0 BEADMN C[C@@]1(CCCO)CCCN1Cc1nccs1 ZINC000271950453 385863342 /nfs/dbraw/zinc/86/33/42/385863342.db2.gz ASNQDTQWBBSCFZ-LBPRGKRZSA-N 0 1 240.372 2.270 20 0 BEADMN CC(C)[C@@H](O)CN1CCO[C@@H](c2ccccc2)C1 ZINC000284339256 385863493 /nfs/dbraw/zinc/86/34/93/385863493.db2.gz QZNAPDLJNNUSPM-LSDHHAIUSA-N 0 1 249.354 2.077 20 0 BEADMN CCN(Cc1nccnc1OC)C1CCCC1 ZINC000294556114 385867402 /nfs/dbraw/zinc/86/74/02/385867402.db2.gz LMTVMKWKBBJDBP-UHFFFAOYSA-N 0 1 235.331 2.250 20 0 BEADMN CO[C@H](CN1CCO[C@@H](C)[C@H]1C)c1ccccc1 ZINC000284446743 385867765 /nfs/dbraw/zinc/86/77/65/385867765.db2.gz QOLCOKLRPDCDPJ-VNHYZAJKSA-N 0 1 249.354 2.483 20 0 BEADMN CN(Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000284424773 385868113 /nfs/dbraw/zinc/86/81/13/385868113.db2.gz RMMWPUIQQAHMPF-UHFFFAOYSA-N 0 1 219.332 2.368 20 0 BEADMN CO[C@H](CN1CCO[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000284446739 385869560 /nfs/dbraw/zinc/86/95/60/385869560.db2.gz QOLCOKLRPDCDPJ-KCQAQPDRSA-N 0 1 249.354 2.483 20 0 BEADMN CC(C)=CCCNC(=O)c1ccc2cncn2c1 ZINC000284517569 385873977 /nfs/dbraw/zinc/87/39/77/385873977.db2.gz BIPVPKKSDUTXOA-UHFFFAOYSA-N 0 1 243.310 2.420 20 0 BEADMN C[C@@H]1CCN(C(=O)c2ccc3cncn3c2)[C@H]1C ZINC000284549770 385875697 /nfs/dbraw/zinc/87/56/97/385875697.db2.gz BKFSDKSILUZBSB-MNOVXSKESA-N 0 1 243.310 2.205 20 0 BEADMN C[C@H](CN(C)CC1OCCO1)c1ccccc1 ZINC000272117532 385876489 /nfs/dbraw/zinc/87/64/89/385876489.db2.gz PQEPGLCAACOSML-GFCCVEGCSA-N 0 1 235.327 2.095 20 0 BEADMN COc1nccnc1CN1CCC[C@H](C)[C@@H]1C ZINC000294685446 385882423 /nfs/dbraw/zinc/88/24/23/385882423.db2.gz DMBDCNIFLCEDJZ-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(N(C)C)c1 ZINC000643254804 385994837 /nfs/dbraw/zinc/99/48/37/385994837.db2.gz LGWKTNRDPMSCCP-IUODEOHRSA-N 0 1 248.370 2.098 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@H]2CC[C@H](C)O2)n1 ZINC000414621747 385980711 /nfs/dbraw/zinc/98/07/11/385980711.db2.gz MCNJQESNHCSBDJ-GUBZILKMSA-N 0 1 239.319 2.356 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000414132616 385980940 /nfs/dbraw/zinc/98/09/40/385980940.db2.gz AUVDTARVJWWVPE-NDBYEHHHSA-N 0 1 249.358 2.435 20 0 BEADMN C[C@H]1OCC[C@H]1NCc1cc(F)cnc1Cl ZINC000295181003 385984145 /nfs/dbraw/zinc/98/41/45/385984145.db2.gz VTKFPHVYLCLADX-GMSGAONNSA-N 0 1 244.697 2.141 20 0 BEADMN FCC1CCN(Cc2ccc(F)cn2)CC1 ZINC000295172925 385984599 /nfs/dbraw/zinc/98/45/99/385984599.db2.gz QIZMKTZQTPAANA-UHFFFAOYSA-N 0 1 226.270 2.402 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@@H]1CCCC(F)(F)C1 ZINC000338374558 385984561 /nfs/dbraw/zinc/98/45/61/385984561.db2.gz USDLEUIMJSPNGS-VHSXEESVSA-N 0 1 249.301 2.305 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000414135177 385985167 /nfs/dbraw/zinc/98/51/67/385985167.db2.gz DHBKYGGFZKKLNR-SDDRHHMPSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1cc(C[N@@H+]2CCSCC[C@H]2C)on1 ZINC000285993927 385987102 /nfs/dbraw/zinc/98/71/02/385987102.db2.gz FYKGPFLQJFNSBI-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN CCC[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000309141764 385987739 /nfs/dbraw/zinc/98/77/39/385987739.db2.gz ZIUWIWWFNFJPIC-SDDRHHMPSA-N 0 1 227.348 2.465 20 0 BEADMN COc1nccnc1CN1CC[C@H](C)C[C@@H]1C ZINC000294972591 385931413 /nfs/dbraw/zinc/93/14/13/385931413.db2.gz WYHJEZIFAXUART-QWRGUYRKSA-N 0 1 235.331 2.106 20 0 BEADMN CO[C@H](c1nc(C2(N)CCCC2)no1)C(C)C ZINC000414625516 385992948 /nfs/dbraw/zinc/99/29/48/385992948.db2.gz XBSIRJNWPAGXMA-VIFPVBQESA-N 0 1 239.319 2.141 20 0 BEADMN CC[C@H]1C(=O)N(CC)CCN1CCCCCF ZINC000342177830 385940182 /nfs/dbraw/zinc/94/01/82/385940182.db2.gz WUIGALFCRLVPBM-LBPRGKRZSA-N 0 1 244.354 2.069 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000414145171 385993184 /nfs/dbraw/zinc/99/31/84/385993184.db2.gz NTDHNMFACOQGOH-NNYUYHANSA-N 0 1 235.331 2.046 20 0 BEADMN CCC[C@H](O)CNC(C)(C)c1nc(C)cs1 ZINC000295000445 385940912 /nfs/dbraw/zinc/94/09/12/385940912.db2.gz RSOJYHNQVBITDL-JTQLQIEISA-N 0 1 242.388 2.437 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000003748013 385945476 /nfs/dbraw/zinc/94/54/76/385945476.db2.gz ZJFMOGCMMXPGIZ-NSHDSACASA-N 0 1 241.237 2.014 20 0 BEADMN CC(C)Cn1cc(CN[C@@H](C)c2cn[nH]c2)cn1 ZINC000272891675 385948144 /nfs/dbraw/zinc/94/81/44/385948144.db2.gz JVPGCQUBTLGFQU-NSHDSACASA-N 0 1 247.346 2.113 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@H]2[C@@H](C)C2(F)F)n1 ZINC000414614287 385950856 /nfs/dbraw/zinc/95/08/56/385950856.db2.gz GZYIEGZYJIRFQD-GJMOJQLCSA-N 0 1 245.273 2.484 20 0 BEADMN CSc1ccc(NC(=O)c2cn[nH]c2C)nc1 ZINC000335052988 385950869 /nfs/dbraw/zinc/95/08/69/385950869.db2.gz AHYXMGMLKNJTAM-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN Cc1nnc([C@H](C)N2C[C@@H](C)[C@H](C)C2)s1 ZINC000338301872 385953550 /nfs/dbraw/zinc/95/35/50/385953550.db2.gz APRXVNYUQGGTNY-HLTSFMKQSA-N 0 1 225.361 2.495 20 0 BEADMN Cc1cc(C2CCN(CC(F)(F)F)CC2)[nH]n1 ZINC000272947865 385955786 /nfs/dbraw/zinc/95/57/86/385955786.db2.gz LZQQJEWUUIUATH-UHFFFAOYSA-N 0 1 247.264 2.460 20 0 BEADMN C[C@@H](CF)NCc1cnn(Cc2ccccc2)c1 ZINC000342201941 385956256 /nfs/dbraw/zinc/95/62/56/385956256.db2.gz MQHQYUVKSFLEOL-LBPRGKRZSA-N 0 1 247.317 2.379 20 0 BEADMN COC(=O)[C@]1(C)CCCN1CCSC(C)C ZINC000338300129 385958497 /nfs/dbraw/zinc/95/84/97/385958497.db2.gz KEGSSAILZCGPOY-LBPRGKRZSA-N 0 1 245.388 2.156 20 0 BEADMN Cc1ncc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)[nH]1 ZINC000273032181 385960938 /nfs/dbraw/zinc/96/09/38/385960938.db2.gz FUDCZOIHMSQGHN-UFGOTCBOSA-N 0 1 247.342 2.369 20 0 BEADMN FC(F)[C@H]1C[C@H]1NCc1cccc2c1OCO2 ZINC000342220067 385962742 /nfs/dbraw/zinc/96/27/42/385962742.db2.gz SUQYHLNFUXEODA-DTWKUNHWSA-N 0 1 241.237 2.159 20 0 BEADMN CO[C@@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000289985603 385963743 /nfs/dbraw/zinc/96/37/43/385963743.db2.gz YCTLJWAUBJKRGR-WPRPVWTQSA-N 0 1 212.293 2.059 20 0 BEADMN CCCC(CCC)N[C@@H](C(N)=O)c1ccccn1 ZINC000295110220 385970584 /nfs/dbraw/zinc/97/05/84/385970584.db2.gz LMDFWFCGZWBLHH-CYBMUJFWSA-N 0 1 249.358 2.166 20 0 BEADMN CC[C@@H](C)OCc1nc([C@H](N)CC(C)C)no1 ZINC000414619723 385971398 /nfs/dbraw/zinc/97/13/98/385971398.db2.gz OMPYDGCSZHQGGA-NXEZZACHSA-N 0 1 241.335 2.431 20 0 BEADMN C[C@@H](Cc1ccncc1)NCc1cscn1 ZINC000336747407 385972782 /nfs/dbraw/zinc/97/27/82/385972782.db2.gz SAAFUKDYTLMDRW-JTQLQIEISA-N 0 1 233.340 2.259 20 0 BEADMN Cc1ccc(C)c([C@H](C)N(C)C(=O)CN(C)C)c1 ZINC000338345932 385974193 /nfs/dbraw/zinc/97/41/93/385974193.db2.gz IRGOPOAOYSEISL-ZDUSSCGKSA-N 0 1 248.370 2.384 20 0 BEADMN C[C@@H]1CC[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)[C@H]1C ZINC000425419555 385997066 /nfs/dbraw/zinc/99/70/66/385997066.db2.gz KAAAFMLLDBQBOL-WOPDTQHZSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)[C@H]1C ZINC000425419552 385998377 /nfs/dbraw/zinc/99/83/77/385998377.db2.gz KAAAFMLLDBQBOL-GRYCIOLGSA-N 0 1 238.375 2.116 20 0 BEADMN NC1(c2noc(CCc3ccoc3)n2)CCCC1 ZINC000414630565 386005865 /nfs/dbraw/zinc/00/58/65/386005865.db2.gz UOUKKHDMGCQDJH-UHFFFAOYSA-N 0 1 247.298 2.176 20 0 BEADMN C[C@H]1C[N@@H+](CCc2ccccc2)[C@@H](C)CN1C ZINC000335066842 386007332 /nfs/dbraw/zinc/00/73/32/386007332.db2.gz AIARLTZYVBFXTM-KBPBESRZSA-N 0 1 232.371 2.254 20 0 BEADMN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@H]1CCCCO1 ZINC000414115384 386007669 /nfs/dbraw/zinc/00/76/69/386007669.db2.gz UZHOQRWJYFCHGH-DMDPSCGWSA-N 0 1 237.347 2.028 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414115981 386008123 /nfs/dbraw/zinc/00/81/23/386008123.db2.gz QAMFYDMMIDZZNO-JQWIXIFHSA-N 0 1 239.363 2.132 20 0 BEADMN COc1ncc([C@H](C)NCCF)cc1Cl ZINC000284052079 386010020 /nfs/dbraw/zinc/01/00/20/386010020.db2.gz ABMLOFKXVQRACZ-ZETCQYMHSA-N 0 1 232.686 2.364 20 0 BEADMN CCc1cc(OC)ccc1CNCCF ZINC000336770235 386011195 /nfs/dbraw/zinc/01/11/95/386011195.db2.gz VLEWUVPBTDTHHH-UHFFFAOYSA-N 0 1 211.280 2.317 20 0 BEADMN Cc1nc([C@H](C)NC(=O)C2=CCCCCC2)n[nH]1 ZINC000286239589 386012707 /nfs/dbraw/zinc/01/27/07/386012707.db2.gz DEUZBMUNDUZPQQ-VIFPVBQESA-N 0 1 248.330 2.181 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CC[C@@H](C)C2)n1 ZINC000336770397 386015188 /nfs/dbraw/zinc/01/51/88/386015188.db2.gz WQDGXPHRZTUFET-KHQFGBGNSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H]1C[C@@H]1Cc1nc(C2(N)CCCCC2)no1 ZINC000335070933 386019925 /nfs/dbraw/zinc/01/99/25/386019925.db2.gz JPTBLWJJRWYETQ-VHSXEESVSA-N 0 1 235.331 2.386 20 0 BEADMN CC[C@@H](C)N1CCN(Cc2nccs2)CC1 ZINC000295367519 386019929 /nfs/dbraw/zinc/01/99/29/386019929.db2.gz ZYXHRSSQJQNWOW-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN CC(C(=O)N[C@@H](C)c1n[nH]c(C)n1)=C1CCCC1 ZINC000286308360 386023875 /nfs/dbraw/zinc/02/38/75/386023875.db2.gz ITBIJAQVLLYBFT-VIFPVBQESA-N 0 1 248.330 2.181 20 0 BEADMN CCC[C@H](C)CC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286415205 386034224 /nfs/dbraw/zinc/03/42/24/386034224.db2.gz PIVUYGVYXFLQGD-IUCAKERBSA-N 0 1 238.335 2.117 20 0 BEADMN C[C@H](N[C@H]1CCSC1)c1cscn1 ZINC000222148442 386036701 /nfs/dbraw/zinc/03/67/01/386036701.db2.gz OOLSLJDGWXEFDJ-YUMQZZPRSA-N 0 1 214.359 2.299 20 0 BEADMN CO[C@H](CN1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000338547350 386040941 /nfs/dbraw/zinc/04/09/41/386040941.db2.gz SRFFURNBJYAKCP-DZGCQCFKSA-N 0 1 248.370 2.010 20 0 BEADMN Cc1nc([C@@H](C)NC(=O)C=C2CC[C@@H](C)C2)n[nH]1 ZINC000286450998 386041327 /nfs/dbraw/zinc/04/13/27/386041327.db2.gz RZABBIXCDFUPLH-MFMAKOESSA-N 0 1 248.330 2.037 20 0 BEADMN C[C@H](NCC1(C(F)F)CC1)c1ccn(C)n1 ZINC000414157201 386043890 /nfs/dbraw/zinc/04/38/90/386043890.db2.gz VWVZWCWTNYHIDZ-QMMMGPOBSA-N 0 1 229.274 2.116 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2CCO)sc1C ZINC000303741712 386046157 /nfs/dbraw/zinc/04/61/57/386046157.db2.gz MGKDDWZXPQNJCV-LLVKDONJSA-N 0 1 240.372 2.107 20 0 BEADMN C[C@H](N[C@@H](C)c1cccnc1)c1cn[nH]c1 ZINC000222476965 386046393 /nfs/dbraw/zinc/04/63/93/386046393.db2.gz ULRJDXVBWDUESW-UWVGGRQHSA-N 0 1 216.288 2.217 20 0 BEADMN CCCCC[S@](=O)[C@@H](C)c1n[nH]c(C)n1 ZINC000414246858 386057564 /nfs/dbraw/zinc/05/75/64/386057564.db2.gz NRUHVTOOYLUBRG-AYVTZFPOSA-N 0 1 229.349 2.113 20 0 BEADMN CCCCC[S@](=O)[C@H](C)c1n[nH]c(C)n1 ZINC000414246859 386057728 /nfs/dbraw/zinc/05/77/28/386057728.db2.gz NRUHVTOOYLUBRG-GLEZIHRCSA-N 0 1 229.349 2.113 20 0 BEADMN CCO[C@H]1C[C@@H](N[C@@H](C)c2cc3n(n2)CCC3)C1 ZINC000414148615 385996414 /nfs/dbraw/zinc/99/64/14/385996414.db2.gz RYQINSHBJPFNCH-GMXVVIOVSA-N 0 1 249.358 2.047 20 0 BEADMN C[C@@H]1CCC[C@@H]1NCc1nc(C(F)F)no1 ZINC000425452449 386101340 /nfs/dbraw/zinc/10/13/40/386101340.db2.gz XFYNTTBMJXCILX-RQJHMYQMSA-N 0 1 231.246 2.285 20 0 BEADMN CCn1ccnc1NCc1c(C)nn(CC)c1C ZINC000414291794 386101492 /nfs/dbraw/zinc/10/14/92/386101492.db2.gz AQYACHMREBNSDU-UHFFFAOYSA-N 0 1 247.346 2.348 20 0 BEADMN COC1([C@@H](C)N[C@@H](C)c2ccn(C)n2)CCC1 ZINC000414297679 386106047 /nfs/dbraw/zinc/10/60/47/386106047.db2.gz GMABFRODPNWAEL-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN COC1([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000414298846 386106442 /nfs/dbraw/zinc/10/64/42/386106442.db2.gz HKYSNAHWLBXQJE-SRVKXCTJSA-N 0 1 249.358 2.436 20 0 BEADMN c1ccc([C@@H]2COCCN2CC2CC2)cc1 ZINC000334456404 386109479 /nfs/dbraw/zinc/10/94/79/386109479.db2.gz YZBHRXKZTSRDLR-AWEZNQCLSA-N 0 1 217.312 2.470 20 0 BEADMN Cn1cc(CN2CCCCC2)c(C(F)F)n1 ZINC000274481589 386109651 /nfs/dbraw/zinc/10/96/51/386109651.db2.gz MQWMVDVGEOKTOQ-UHFFFAOYSA-N 0 1 229.274 2.344 20 0 BEADMN CCn1ccnc1NCc1cnn(C(C)(C)C)c1 ZINC000414307665 386110412 /nfs/dbraw/zinc/11/04/12/386110412.db2.gz VBLDOEZOFPHVCM-UHFFFAOYSA-N 0 1 247.346 2.467 20 0 BEADMN CC[C@@H]1CCCN([C@@H](C)c2nncn2C)CC1 ZINC000334456919 386110674 /nfs/dbraw/zinc/11/06/74/386110674.db2.gz IBRJNWWQUCXNCF-NWDGAFQWSA-N 0 1 236.363 2.388 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1cccs1 ZINC000037976788 386111956 /nfs/dbraw/zinc/11/19/56/386111956.db2.gz FGJADFKLEQJOQM-UHFFFAOYSA-N 0 1 213.302 2.045 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])CC1CCCCC1 ZINC000038024810 386115733 /nfs/dbraw/zinc/11/57/33/386115733.db2.gz OEJOXJSGQBUVKD-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN C[C@@H](NCC1=CCCOC1)c1ccco1 ZINC000124635070 386116021 /nfs/dbraw/zinc/11/60/21/386116021.db2.gz LGKPQMBHHVLMPN-SNVBAGLBSA-N 0 1 207.273 2.277 20 0 BEADMN OCc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000647929894 386117555 /nfs/dbraw/zinc/11/75/55/386117555.db2.gz IJNSQRNBZWDGTI-UHFFFAOYSA-N 0 1 235.302 2.113 20 0 BEADMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1nccn1CC ZINC000414211157 386064956 /nfs/dbraw/zinc/06/49/56/386064956.db2.gz OLFACZMWPIUJGK-UTUOFQBUSA-N 0 1 237.347 2.121 20 0 BEADMN C[C@@H]1[C@@H](C)N(Cc2ncc(C3CC3)o2)CCN1C ZINC000334447575 386076839 /nfs/dbraw/zinc/07/68/39/386076839.db2.gz QIIFTLRCZCCMSM-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN CC(C)(C)[C@H](O)CNCc1ncc(Cl)s1 ZINC000336772226 386079875 /nfs/dbraw/zinc/07/98/75/386079875.db2.gz XXMKHNPMIOAVGG-SSDOTTSWSA-N 0 1 248.779 2.293 20 0 BEADMN CC(C)c1nc(CN2CCC(C)(C)C2)n[nH]1 ZINC000334449789 386086548 /nfs/dbraw/zinc/08/65/48/386086548.db2.gz QPZQNLUKJBHGPX-UHFFFAOYSA-N 0 1 222.336 2.160 20 0 BEADMN CC/C=C/CCN1CCNC(=O)[C@@H]1CC(C)C ZINC000189783058 386087376 /nfs/dbraw/zinc/08/73/76/386087376.db2.gz LCVVFVSFYRUDEN-GFUIURDCSA-N 0 1 238.375 2.189 20 0 BEADMN c1[nH]nnc1SCc1nc2cccnc2s1 ZINC000356193167 386122877 /nfs/dbraw/zinc/12/28/77/386122877.db2.gz USZALPSVYKNHRJ-UHFFFAOYSA-N 0 1 249.324 2.102 20 0 BEADMN C[C@@]1(F)CCN(CCc2ccccn2)C1 ZINC000334450270 386089353 /nfs/dbraw/zinc/08/93/53/386089353.db2.gz KQFNVWLXWOFHOE-GFCCVEGCSA-N 0 1 208.280 2.058 20 0 BEADMN C[C@H]1CN(Cc2cccc3cnccc32)CCO1 ZINC000183012006 386091429 /nfs/dbraw/zinc/09/14/29/386091429.db2.gz PEKXIILCVIPLFW-LBPRGKRZSA-N 0 1 242.322 2.456 20 0 BEADMN CCC[C@H](O)CN[C@H](C)c1ncc(C)s1 ZINC000295824823 386091475 /nfs/dbraw/zinc/09/14/75/386091475.db2.gz VOUMWHKCZDBOJW-ZJUUUORDSA-N 0 1 228.361 2.263 20 0 BEADMN COC1(C)CCN([C@@H](C)c2cnccn2)CC1 ZINC000274345538 386092238 /nfs/dbraw/zinc/09/22/38/386092238.db2.gz QKOAFKYDZGAVQB-NSHDSACASA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@H]1CCN(C(=O)[C@H](N)c2ccccc2C)C1 ZINC000295866439 386098493 /nfs/dbraw/zinc/09/84/93/386098493.db2.gz XDQFCCDASJIPOC-GXTWGEPZSA-N 0 1 246.354 2.253 20 0 BEADMN C[C@@H]1CCC[C@H]1NCc1nc(C(F)F)no1 ZINC000425452448 386099479 /nfs/dbraw/zinc/09/94/79/386099479.db2.gz XFYNTTBMJXCILX-RNFRBKRXSA-N 0 1 231.246 2.285 20 0 BEADMN CC(=O)c1cccc(CN2C[C@@H](O)C(C)(C)C2)c1 ZINC000295885291 386100211 /nfs/dbraw/zinc/10/02/11/386100211.db2.gz DDZKFCFFBWWHKM-CQSZACIVSA-N 0 1 247.338 2.092 20 0 BEADMN COc1nccc(CN2CC(C)(C)[C@@H]2C(C)C)n1 ZINC000296196683 386149224 /nfs/dbraw/zinc/14/92/24/386149224.db2.gz YXDZVPNYIDALCL-LBPRGKRZSA-N 0 1 249.358 2.352 20 0 BEADMN Cc1ccc(CN2CCOCC3(CC3)C2)o1 ZINC000335158521 386153199 /nfs/dbraw/zinc/15/31/99/386153199.db2.gz OCRPZFIWUHNWEJ-UHFFFAOYSA-N 0 1 221.300 2.200 20 0 BEADMN CCC1(NC(=O)Cc2cc(C)n[nH]2)CCCC1 ZINC000296275138 386158002 /nfs/dbraw/zinc/15/80/02/386158002.db2.gz RAWRICOFRHVBDW-UHFFFAOYSA-N 0 1 235.331 2.100 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CCCC1 ZINC000334605143 386160145 /nfs/dbraw/zinc/16/01/45/386160145.db2.gz XYLDGDONPPQWAQ-PWSUYJOCSA-N 0 1 225.332 2.362 20 0 BEADMN CN(CC1CCCCC1)C(=O)c1cnc[nH]1 ZINC000263646616 386160869 /nfs/dbraw/zinc/16/08/69/386160869.db2.gz DSUASUCJPHTIJR-UHFFFAOYSA-N 0 1 221.304 2.062 20 0 BEADMN Cc1ccc2nc(CN[C@H]3CC34CC4)cn2c1 ZINC000335279381 386162206 /nfs/dbraw/zinc/16/22/06/386162206.db2.gz FKAGMHJQKVTYTF-LBPRGKRZSA-N 0 1 227.311 2.285 20 0 BEADMN Cc1csc(CNC[C@H]2CC[C@@H](C)O2)n1 ZINC000148612485 386163889 /nfs/dbraw/zinc/16/38/89/386163889.db2.gz WQCCYIZYKATLAJ-NXEZZACHSA-N 0 1 226.345 2.109 20 0 BEADMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(CO)cc1 ZINC000163415510 386164319 /nfs/dbraw/zinc/16/43/19/386164319.db2.gz CWJZQIONJRTZAB-WFASDCNBSA-N 0 1 249.354 2.178 20 0 BEADMN C[C@H](N[C@@H](C)C1CCCC1)c1ncn(C)n1 ZINC000336753772 386170940 /nfs/dbraw/zinc/17/09/40/386170940.db2.gz WQOMHINXVXDPBK-UWVGGRQHSA-N 0 1 222.336 2.044 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@H](C)C2)c1 ZINC000263778426 386174633 /nfs/dbraw/zinc/17/46/33/386174633.db2.gz GKWHKXAFKVFMBX-VIFPVBQESA-N 0 1 243.310 2.353 20 0 BEADMN CC(C)COc1ccccc1CN(C)CCO ZINC000338926456 386179845 /nfs/dbraw/zinc/17/98/45/386179845.db2.gz DOVBXDOMOUNENX-UHFFFAOYSA-N 0 1 237.343 2.146 20 0 BEADMN CCOC[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275100268 386180043 /nfs/dbraw/zinc/18/00/43/386180043.db2.gz CDZMIAVIQAOMKR-NSHDSACASA-N 0 1 238.306 2.079 20 0 BEADMN CCC[C@H](CC)NC(=O)NCc1cn[nH]c1C ZINC000263834985 386181568 /nfs/dbraw/zinc/18/15/68/386181568.db2.gz FHGQRVBBCDQLJN-NSHDSACASA-N 0 1 238.335 2.096 20 0 BEADMN CO[C@]1(C)C[C@H](N[C@@H]2CCn3ccnc32)C1(C)C ZINC000453130227 386181812 /nfs/dbraw/zinc/18/18/12/386181812.db2.gz YRNCGTFEJRODDZ-UHIISALHSA-N 0 1 249.358 2.121 20 0 BEADMN COC1(CCNCc2ncc(C)o2)CCC1 ZINC000310455111 386185244 /nfs/dbraw/zinc/18/52/44/386185244.db2.gz CPQOUTLPIBYYPM-UHFFFAOYSA-N 0 1 224.304 2.032 20 0 BEADMN c1nc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)co1 ZINC000182063437 386130900 /nfs/dbraw/zinc/13/09/00/386130900.db2.gz QYZJDRWIUVCCIY-AVGNSLFASA-N 0 1 248.326 2.112 20 0 BEADMN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncn1 ZINC000414344134 386133367 /nfs/dbraw/zinc/13/33/67/386133367.db2.gz KFBWBRXHVVGHBG-CKYFFXLPSA-N 0 1 229.283 2.276 20 0 BEADMN CC(C)(C(=O)Nc1ccccc1)c1cnc[nH]1 ZINC000335215142 386134160 /nfs/dbraw/zinc/13/41/60/386134160.db2.gz CUWHMZDBKRDNAP-UHFFFAOYSA-N 0 1 229.283 2.326 20 0 BEADMN c1coc([C@@H]2C[C@H]2N[C@H]2CCn3ccnc32)c1 ZINC000414344205 386134676 /nfs/dbraw/zinc/13/46/76/386134676.db2.gz KHHQXLQIUPHBMB-OUAUKWLOSA-N 0 1 229.283 2.067 20 0 BEADMN CCOc1cccc(CNc2nccn2CC)n1 ZINC000414303396 386137238 /nfs/dbraw/zinc/13/72/38/386137238.db2.gz PBSQHELNIMLPOI-UHFFFAOYSA-N 0 1 246.314 2.309 20 0 BEADMN COc1nccnc1CN(C1CCC1)C1CCC1 ZINC000296115403 386137658 /nfs/dbraw/zinc/13/76/58/386137658.db2.gz SSCJMKIVGITOEN-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN C/C=C/C[C@@H](CO)N[C@H](C)c1cscn1 ZINC000274678519 386138461 /nfs/dbraw/zinc/13/84/61/386138461.db2.gz ZPCUDEKKLASQIX-OKWQPMOJSA-N 0 1 226.345 2.121 20 0 BEADMN CC(C)c1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ncn1 ZINC000338793175 386141318 /nfs/dbraw/zinc/14/13/18/386141318.db2.gz JGVXUBAXVBLYIT-TXEJJXNPSA-N 0 1 248.374 2.129 20 0 BEADMN COc1nccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)n1 ZINC000296781331 386200488 /nfs/dbraw/zinc/20/04/88/386200488.db2.gz LUZWGGRZBMFJQW-DGCLKSJQSA-N 0 1 249.358 2.496 20 0 BEADMN COc1ncncc1CN(CCC(C)C)C1CC1 ZINC000648001432 386200906 /nfs/dbraw/zinc/20/09/06/386200906.db2.gz PONSGYTYLRNVOW-UHFFFAOYSA-N 0 1 249.358 2.496 20 0 BEADMN C[C@H](CF)NCc1ccnn1-c1ccccc1 ZINC000288471110 386203479 /nfs/dbraw/zinc/20/34/79/386203479.db2.gz OXIRQACHTUIQOX-LLVKDONJSA-N 0 1 233.290 2.320 20 0 BEADMN C[C@@H](CF)NCc1ccnn1-c1ccccc1 ZINC000288471112 386204749 /nfs/dbraw/zinc/20/47/49/386204749.db2.gz OXIRQACHTUIQOX-NSHDSACASA-N 0 1 233.290 2.320 20 0 BEADMN CCN(Cc1cnccc1OC)C1CCC1 ZINC000347059434 386209201 /nfs/dbraw/zinc/20/92/01/386209201.db2.gz RVLGIOXNKVUULO-UHFFFAOYSA-N 0 1 220.316 2.465 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCOC1CCC1 ZINC000347074851 386218726 /nfs/dbraw/zinc/21/87/26/386218726.db2.gz LAPJHRNEBYJLRW-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN COC1(CC[N@H+]2CCOC[C@@H]2C2CC2)CCC1 ZINC000339058448 386227749 /nfs/dbraw/zinc/22/77/49/386227749.db2.gz MQAABRRBINYYQG-CYBMUJFWSA-N 0 1 239.359 2.056 20 0 BEADMN CC(C)SCCN1CCO[C@H](C2CC2)C1 ZINC000366968666 386229120 /nfs/dbraw/zinc/22/91/20/386229120.db2.gz GDTASLNKVYYGCG-LBPRGKRZSA-N 0 1 229.389 2.239 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125171770 386232702 /nfs/dbraw/zinc/23/27/02/386232702.db2.gz ZFXIIVICGRMJCE-VXNVDRBHSA-N 0 1 214.334 2.137 20 0 BEADMN CC[C@H](O)C[N@@H+](C)CCOc1cccc(C)c1 ZINC000264414647 386234510 /nfs/dbraw/zinc/23/45/10/386234510.db2.gz HDJLPXGEVAQYOO-ZDUSSCGKSA-N 0 1 237.343 2.077 20 0 BEADMN O=C(CC1CCC1)NCc1ccc2cncn2c1 ZINC000297274435 386239354 /nfs/dbraw/zinc/23/93/54/386239354.db2.gz QAONTIINQHJFLY-UHFFFAOYSA-N 0 1 243.310 2.141 20 0 BEADMN COC[C@H](CC(C)C)Nc1ccc2nn[nH]c2c1 ZINC000347130237 386240703 /nfs/dbraw/zinc/24/07/03/386240703.db2.gz OERUXEBQXLIICW-NSHDSACASA-N 0 1 248.330 2.431 20 0 BEADMN COC[C@H](CC(C)C)Nc1ccc2n[nH]nc2c1 ZINC000347130237 386240708 /nfs/dbraw/zinc/24/07/08/386240708.db2.gz OERUXEBQXLIICW-NSHDSACASA-N 0 1 248.330 2.431 20 0 BEADMN Cc1ccc(CNCc2cnn(C(C)C)c2)cn1 ZINC000226241303 386243089 /nfs/dbraw/zinc/24/30/89/386243089.db2.gz FJVBENYCLKYJOR-UHFFFAOYSA-N 0 1 244.342 2.457 20 0 BEADMN Cc1ccc(F)c(CN2CC(C(C)(C)O)C2)c1 ZINC000297330927 386244167 /nfs/dbraw/zinc/24/41/67/386244167.db2.gz DYTBSUCXDQVMBB-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CCN(CC(=O)OCc1ccccc1)C(C)C ZINC000264519000 386244683 /nfs/dbraw/zinc/24/46/83/386244683.db2.gz ZNNDESFPTVBAPV-UHFFFAOYSA-N 0 1 235.327 2.460 20 0 BEADMN CCOc1cc(CN[C@H](C)CF)ccc1O ZINC000297382139 386249236 /nfs/dbraw/zinc/24/92/36/386249236.db2.gz INTHFGGXLPFEOL-SECBINFHSA-N 0 1 227.279 2.239 20 0 BEADMN Cc1nc(CN(C)[C@H]2CC[C@H](O)CC2)cs1 ZINC000275870686 386249259 /nfs/dbraw/zinc/24/92/59/386249259.db2.gz NTTAJUQLOPXYKR-HAQNSBGRSA-N 0 1 240.372 2.187 20 0 BEADMN Cc1ccncc1CCCN1C[C@H](C)OC[C@H]1C ZINC000288997568 386250003 /nfs/dbraw/zinc/25/00/03/386250003.db2.gz DSPRWBKEGQJIRC-KGLIPLIRSA-N 0 1 248.370 2.432 20 0 BEADMN Cc1cc(CN[C@H](C)Cc2ccncc2)no1 ZINC000347099801 386250197 /nfs/dbraw/zinc/25/01/97/386250197.db2.gz LUULRVUMMKUIQJ-SNVBAGLBSA-N 0 1 231.299 2.099 20 0 BEADMN Cc1ccc(F)cc1CN1CC(C(C)(C)O)C1 ZINC000297394048 386251657 /nfs/dbraw/zinc/25/16/57/386251657.db2.gz KTEPVFLPZCVYTI-UHFFFAOYSA-N 0 1 237.318 2.337 20 0 BEADMN CC[C@H]1CCCN1Cc1nccn1CC ZINC000336646924 386255304 /nfs/dbraw/zinc/25/53/04/386255304.db2.gz LLCQQEOAMNBAAH-NSHDSACASA-N 0 1 207.321 2.277 20 0 BEADMN Cc1cn[nH]c1CN(C)Cc1csc(C)n1 ZINC000340568802 386256663 /nfs/dbraw/zinc/25/66/63/386256663.db2.gz KMBTUCVPKGHKHF-UHFFFAOYSA-N 0 1 236.344 2.115 20 0 BEADMN Cc1ccc(F)c(CN(C)CC2(CO)CC2)c1 ZINC000275992078 386258125 /nfs/dbraw/zinc/25/81/25/386258125.db2.gz NSVQRJGUPLOLTQ-UHFFFAOYSA-N 0 1 237.318 2.338 20 0 BEADMN Cc1cncc(CN(C)C[C@H]2CCCCO2)c1 ZINC000275969582 386258744 /nfs/dbraw/zinc/25/87/44/386258744.db2.gz IUODKKCKTLWRLR-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CSc1n[nH]c(NC(=O)C[C@@H](C)C(C)C)n1 ZINC000263923726 386192961 /nfs/dbraw/zinc/19/29/61/386192961.db2.gz HANSADRQXZRKRS-SSDOTTSWSA-N 0 1 242.348 2.147 20 0 BEADMN C[C@@H]1[C@H](C)CN(C(=O)C(C)(C)c2c[nH]cn2)[C@H]1C ZINC000416325339 386258992 /nfs/dbraw/zinc/25/89/92/386258992.db2.gz SNAXPRCHLSLOJR-MXWKQRLJSA-N 0 1 249.358 2.190 20 0 BEADMN CCN(CC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000263987385 386199008 /nfs/dbraw/zinc/19/90/08/386199008.db2.gz MNMCMJNSKOYHBU-UHFFFAOYSA-N 0 1 231.299 2.353 20 0 BEADMN COCc1cc(CN[C@H](C)CC(C)C)no1 ZINC000297824942 386281483 /nfs/dbraw/zinc/28/14/83/386281483.db2.gz ZFRCBQFQGLFYSZ-SNVBAGLBSA-N 0 1 226.320 2.345 20 0 BEADMN Cc1cc(C)cc(N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC000264969120 386289450 /nfs/dbraw/zinc/28/94/50/386289450.db2.gz DOXVZHOSUKTYOY-AWEZNQCLSA-N 0 1 246.354 2.360 20 0 BEADMN CCc1ccc(CN(C)[C@@H]2CCCOC2)nc1 ZINC000339188741 386290070 /nfs/dbraw/zinc/29/00/70/386290070.db2.gz LEPHUDNYACZIME-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CO[C@H]1CN(Cc2ccc(F)cn2)CC[C@H]1C ZINC000276280695 386295698 /nfs/dbraw/zinc/29/56/98/386295698.db2.gz UCPMVPRAPQIVGN-MFKMUULPSA-N 0 1 238.306 2.078 20 0 BEADMN CO[C@H]1CN(Cc2ccc(F)cn2)CC[C@@H]1C ZINC000276280689 386296553 /nfs/dbraw/zinc/29/65/53/386296553.db2.gz UCPMVPRAPQIVGN-GWCFXTLKSA-N 0 1 238.306 2.078 20 0 BEADMN CC(C)(C)c1nc2cc(NC(=O)CN)ccc2o1 ZINC000236634410 386296827 /nfs/dbraw/zinc/29/68/27/386296827.db2.gz ZUNAWNFVIHZQBN-UHFFFAOYSA-N 0 1 247.298 2.023 20 0 BEADMN CCc1ncc(CN(C)[C@@H]2CCCOC2)s1 ZINC000336667605 386296949 /nfs/dbraw/zinc/29/69/49/386296949.db2.gz GQPLSOWTSQREHJ-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN CC1(C)COCCN1CCCc1ccncc1 ZINC000347296225 386299392 /nfs/dbraw/zinc/29/93/92/386299392.db2.gz DNTYZUFALDSUQC-UHFFFAOYSA-N 0 1 234.343 2.125 20 0 BEADMN CN(Cc1ccccn1)C[C@H]1CCC(C)(C)O1 ZINC000298141667 386299754 /nfs/dbraw/zinc/29/97/54/386299754.db2.gz LQFVMPONNKKUHT-CYBMUJFWSA-N 0 1 234.343 2.471 20 0 BEADMN CC(C)OC(=O)[C@H](C)N(C)CC1CCC1 ZINC000347297245 386300856 /nfs/dbraw/zinc/30/08/56/386300856.db2.gz GNQUUJMWAXXAAV-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN CCc1ccc(CN(CC)[C@@H]2CCOC2)nc1 ZINC000339207181 386301069 /nfs/dbraw/zinc/30/10/69/386301069.db2.gz HKCLSACEUPAUPW-CQSZACIVSA-N 0 1 234.343 2.255 20 0 BEADMN CO[C@@H](C)CN(Cc1cc(C)no1)C(C)C ZINC000336670306 386316391 /nfs/dbraw/zinc/31/63/91/386316391.db2.gz IUHAEFBNAURFNU-NSHDSACASA-N 0 1 226.320 2.228 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000265210008 386318807 /nfs/dbraw/zinc/31/88/07/386318807.db2.gz DUOAYXREKISRMN-LDYMZIIASA-N 0 1 235.331 2.335 20 0 BEADMN CCc1nnc(SC[C@@H]2CCCC[C@@H]2O)[nH]1 ZINC000408404821 386319741 /nfs/dbraw/zinc/31/97/41/386319741.db2.gz ASHNAERAUMYLEE-IUCAKERBSA-N 0 1 241.360 2.010 20 0 BEADMN CCc1n[nH]c(SC[C@@H]2CCCC[C@@H]2O)n1 ZINC000408404821 386319746 /nfs/dbraw/zinc/31/97/46/386319746.db2.gz ASHNAERAUMYLEE-IUCAKERBSA-N 0 1 241.360 2.010 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C)CCCC2)c1C ZINC000265254284 386320467 /nfs/dbraw/zinc/32/04/67/386320467.db2.gz SSJWDQOCCGODHC-UHFFFAOYSA-N 0 1 221.304 2.089 20 0 BEADMN CC[N@@H+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000522188900 386322268 /nfs/dbraw/zinc/32/22/68/386322268.db2.gz RSZHSAMXJCGHSH-STQMWFEESA-N 0 1 240.391 2.271 20 0 BEADMN COCCOC[C@H](C)NCc1ccc(Cl)o1 ZINC000164806967 386323244 /nfs/dbraw/zinc/32/32/44/386323244.db2.gz FFOFQFHVDBUHPW-VIFPVBQESA-N 0 1 247.722 2.074 20 0 BEADMN CC(C)N(C)Cc1cnc(C2OCCO2)s1 ZINC000289183110 386268249 /nfs/dbraw/zinc/26/82/49/386268249.db2.gz SXXMSGQUJLZVJF-UHFFFAOYSA-N 0 1 242.344 2.029 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)[C@H](C)[C@H](C)O1 ZINC000347182268 386272036 /nfs/dbraw/zinc/27/20/36/386272036.db2.gz KNAQFSSCFMOFTA-UTUOFQBUSA-N 0 1 227.348 2.053 20 0 BEADMN C[C@H](CO)N(Cc1nccs1)C1CCCC1 ZINC000347233209 386272675 /nfs/dbraw/zinc/27/26/75/386272675.db2.gz QPRDKVXASGOFNU-SNVBAGLBSA-N 0 1 240.372 2.269 20 0 BEADMN CCc1cccc(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000263578962 386341095 /nfs/dbraw/zinc/34/10/95/386341095.db2.gz UAFRPXUYZGVSOF-UHFFFAOYSA-N 0 1 221.300 2.156 20 0 BEADMN Cc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)on1 ZINC000265537415 386347359 /nfs/dbraw/zinc/34/73/59/386347359.db2.gz QRTMVEOHVIJGCV-VHSXEESVSA-N 0 1 226.345 2.309 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)on1 ZINC000265537415 386347362 /nfs/dbraw/zinc/34/73/62/386347362.db2.gz QRTMVEOHVIJGCV-VHSXEESVSA-N 0 1 226.345 2.309 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1ccc(F)c(F)c1 ZINC000353600212 386353060 /nfs/dbraw/zinc/35/30/60/386353060.db2.gz XWLNDBSAUQBBAK-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN COC[C@H]1CCN1CCc1ccc(F)c(F)c1 ZINC000339285170 386353774 /nfs/dbraw/zinc/35/37/74/386353774.db2.gz QFZVIMYSQBLEGB-LLVKDONJSA-N 0 1 241.281 2.228 20 0 BEADMN Cc1cn[nH]c1CNCc1ccc(F)cc1F ZINC000289786305 386355559 /nfs/dbraw/zinc/35/55/59/386355559.db2.gz HNDSBCOYFLWBBU-UHFFFAOYSA-N 0 1 237.253 2.286 20 0 BEADMN Cc1cnn([C@@H]2CCN(Cc3cccnc3)C2)c1 ZINC000289777744 386356470 /nfs/dbraw/zinc/35/64/70/386356470.db2.gz GXBMFLISGDMAHO-CQSZACIVSA-N 0 1 242.326 2.034 20 0 BEADMN CC(C)N(Cc1ccco1)C(=O)c1cnc[nH]1 ZINC000265667536 386356685 /nfs/dbraw/zinc/35/66/85/386356685.db2.gz YSTOGYCAWJNCSS-UHFFFAOYSA-N 0 1 233.271 2.054 20 0 BEADMN CSc1n[nH]c(NC(=O)CCC(C)(C)C)n1 ZINC000265662736 386358423 /nfs/dbraw/zinc/35/84/23/386358423.db2.gz RFPNWMJGAAPJEC-UHFFFAOYSA-N 0 1 242.348 2.291 20 0 BEADMN CN(C)c1cccnc1CNCc1cccs1 ZINC000289809959 386359198 /nfs/dbraw/zinc/35/91/98/386359198.db2.gz MWQPYWZCRJDRTG-UHFFFAOYSA-N 0 1 247.367 2.499 20 0 BEADMN C/C=C(/CC)C(=O)NCCCc1cn[nH]c1C ZINC000276650565 386360702 /nfs/dbraw/zinc/36/07/02/386360702.db2.gz XNAAMNGKGNJVSS-WCIBSUBMSA-N 0 1 235.331 2.123 20 0 BEADMN CCCc1noc(CN2C[C@H](C)[C@H](C)C2)n1 ZINC000336691712 386363320 /nfs/dbraw/zinc/36/33/20/386363320.db2.gz BTUPTSOTKYYQIX-AOOOYVTPSA-N 0 1 223.320 2.110 20 0 BEADMN Cc1cc(CN(CC(C)C)C2CC2)nn1C ZINC000336691766 386364279 /nfs/dbraw/zinc/36/42/79/386364279.db2.gz CCVWEASAORIMDK-UHFFFAOYSA-N 0 1 221.348 2.349 20 0 BEADMN C[C@H]1CN(CCCc2ccncc2)C[C@H](C)O1 ZINC000347361545 386365684 /nfs/dbraw/zinc/36/56/84/386365684.db2.gz LCWDJJYLQTVCIA-STQMWFEESA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H](CNCc1cn2cc(C)ccc2n1)OC ZINC000289917220 386372290 /nfs/dbraw/zinc/37/22/90/386372290.db2.gz VBXZEFWWEDGYCC-ZDUSSCGKSA-N 0 1 247.342 2.157 20 0 BEADMN CCCc1noc(CN2C[C@H](C)C[C@@H]2C)n1 ZINC000336695577 386374427 /nfs/dbraw/zinc/37/44/27/386374427.db2.gz GKNBEFJDRVLNLN-ZJUUUORDSA-N 0 1 223.320 2.252 20 0 BEADMN CC(C)(C)OCCN1CC[C@@](C)(F)C1 ZINC000347387558 386376015 /nfs/dbraw/zinc/37/60/15/386376015.db2.gz QLXXDGTZXSGBPY-LLVKDONJSA-N 0 1 203.301 2.235 20 0 BEADMN CCc1cc(=O)[nH]c(CN2CC[C@](C)(CC)C2)n1 ZINC000336697192 386377165 /nfs/dbraw/zinc/37/71/65/386377165.db2.gz FNBOBTUEOOLVMU-AWEZNQCLSA-N 0 1 249.358 2.367 20 0 BEADMN COC[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000265845555 386379811 /nfs/dbraw/zinc/37/98/11/386379811.db2.gz XPABITFZOHISJC-SNVBAGLBSA-N 0 1 241.281 2.433 20 0 BEADMN c1cnn(CC[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000336699075 386383817 /nfs/dbraw/zinc/38/38/17/386383817.db2.gz KVFBJKUVCOXSPV-CQSZACIVSA-N 0 1 227.311 2.330 20 0 BEADMN O=C(c1ccn[nH]1)N(Cc1ccccc1)C1CC1 ZINC000298381884 386334582 /nfs/dbraw/zinc/33/45/82/386334582.db2.gz AFAXBQZMQNLSPJ-UHFFFAOYSA-N 0 1 241.294 2.215 20 0 BEADMN Cc1c[nH]nc1CNCc1cccc(N(C)C)c1 ZINC000289628875 386336060 /nfs/dbraw/zinc/33/60/60/386336060.db2.gz WUFNKXLATCOCMO-UHFFFAOYSA-N 0 1 244.342 2.074 20 0 BEADMN Cc1cnc(CN2CCCC[C@@H]2C[C@H](C)O)o1 ZINC000336717666 386440083 /nfs/dbraw/zinc/44/00/83/386440083.db2.gz USAKSXCGKMFTTE-CMPLNLGQSA-N 0 1 238.331 2.108 20 0 BEADMN Cc1cnc(CN2CCCC[C@H]2C[C@@H](C)O)o1 ZINC000336717670 386441212 /nfs/dbraw/zinc/44/12/12/386441212.db2.gz USAKSXCGKMFTTE-PWSUYJOCSA-N 0 1 238.331 2.108 20 0 BEADMN CCN(Cc1cncnc1OC)CC(C)(C)C ZINC000648037519 386441498 /nfs/dbraw/zinc/44/14/98/386441498.db2.gz TUCXNTHCMGBUHA-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN c1ccc(CN(CC2=CCCOC2)C2CC2)nc1 ZINC000290510349 386445708 /nfs/dbraw/zinc/44/57/08/386445708.db2.gz PMDAKZGUGMDBSY-UHFFFAOYSA-N 0 1 244.338 2.393 20 0 BEADMN C[C@@H](NCCC(C)(C)O)c1c(F)cncc1F ZINC000353203295 386447266 /nfs/dbraw/zinc/44/72/66/386447266.db2.gz LTFMECPGQRMSFQ-MRVPVSSYSA-N 0 1 244.285 2.171 20 0 BEADMN CCCC[N@H+](Cc1n[nH]cc1C)C1CC1 ZINC000290534505 386449977 /nfs/dbraw/zinc/44/99/77/386449977.db2.gz VOGDEURJYPSRGA-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN CCCCN(Cc1n[nH]cc1C)C1CC1 ZINC000290534505 386449988 /nfs/dbraw/zinc/44/99/88/386449988.db2.gz VOGDEURJYPSRGA-UHFFFAOYSA-N 0 1 207.321 2.483 20 0 BEADMN COC(C)(C)[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453338107 386450774 /nfs/dbraw/zinc/45/07/74/386450774.db2.gz FTEUKAUXBBWQIF-GARJFASQSA-N 0 1 237.347 2.292 20 0 BEADMN Cc1ccc(CNC[C@H](O)c2ccc(C)o2)o1 ZINC000265985842 386389466 /nfs/dbraw/zinc/38/94/66/386389466.db2.gz NEPUPXMRVGWHNP-LBPRGKRZSA-N 0 1 235.283 2.313 20 0 BEADMN Cc1ccc(CNC[C@@H](O)c2ccc(C)o2)o1 ZINC000265985839 386390150 /nfs/dbraw/zinc/39/01/50/386390150.db2.gz NEPUPXMRVGWHNP-GFCCVEGCSA-N 0 1 235.283 2.313 20 0 BEADMN Cc1n[nH]cc1CN1CCCc2occc2C1 ZINC000290073884 386390460 /nfs/dbraw/zinc/39/04/60/386390460.db2.gz FYPJJDKLXSOSMH-UHFFFAOYSA-N 0 1 231.299 2.260 20 0 BEADMN Cc1nc(C)c(CN2CCSCC2)s1 ZINC000266018574 386391401 /nfs/dbraw/zinc/39/14/01/386391401.db2.gz VQCDMJSYYHJNCO-UHFFFAOYSA-N 0 1 228.386 2.309 20 0 BEADMN Cc1ncc(C(=O)N2CCC(C)(C3CC3)CC2)[nH]1 ZINC000335279244 386391765 /nfs/dbraw/zinc/39/17/65/386391765.db2.gz ZVVKROXFXUISQZ-UHFFFAOYSA-N 0 1 247.342 2.370 20 0 BEADMN Cc1nocc1CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000339373496 386393573 /nfs/dbraw/zinc/39/35/73/386393573.db2.gz GTQVCBJNJDLMMJ-CQSZACIVSA-N 0 1 249.358 2.090 20 0 BEADMN Cn1ccc(CN2CC[C@@H]2Cc2ccccc2)n1 ZINC000336705264 386396014 /nfs/dbraw/zinc/39/60/14/386396014.db2.gz HXKDJIQMTVSELR-OAHLLOKOSA-N 0 1 241.338 2.237 20 0 BEADMN C[C@@H](NCc1ccsc1)c1ccc(=O)[nH]n1 ZINC000336776123 386396913 /nfs/dbraw/zinc/39/69/13/386396913.db2.gz DUNHKYHTDUSHEU-MRVPVSSYSA-N 0 1 235.312 2.095 20 0 BEADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccco2)o1 ZINC000417575390 386403210 /nfs/dbraw/zinc/40/32/10/386403210.db2.gz SNCVIYNASWUIEM-NSHDSACASA-N 0 1 249.266 2.487 20 0 BEADMN Cc1cc(CN[C@H]2CC23CCCC3)nn1C ZINC000414428088 386411071 /nfs/dbraw/zinc/41/10/71/386411071.db2.gz AZYWNLBCFDSQBD-LBPRGKRZSA-N 0 1 219.332 2.151 20 0 BEADMN CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2CC)n1 ZINC000336707428 386411704 /nfs/dbraw/zinc/41/17/04/386411704.db2.gz ORZVITLARAPISV-LLVKDONJSA-N 0 1 235.331 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H]2CC)n1 ZINC000336707428 386411715 /nfs/dbraw/zinc/41/17/15/386411715.db2.gz ORZVITLARAPISV-LLVKDONJSA-N 0 1 235.331 2.119 20 0 BEADMN Cc1csc(CN[C@H]2CSC2(C)C)n1 ZINC000282867584 386414273 /nfs/dbraw/zinc/41/42/73/386414273.db2.gz QUQRTSJIXIUOJX-QMMMGPOBSA-N 0 1 228.386 2.435 20 0 BEADMN CCCN(CC)C(=O)c1cccc2c[nH]nc21 ZINC000347462867 386415183 /nfs/dbraw/zinc/41/51/83/386415183.db2.gz LNGZVGAQNQOGRJ-UHFFFAOYSA-N 0 1 231.299 2.435 20 0 BEADMN CCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347496920 386421805 /nfs/dbraw/zinc/42/18/05/386421805.db2.gz PWHPXDGAEWKKAZ-UHFFFAOYSA-N 0 1 223.320 2.076 20 0 BEADMN CC(C)(O)CCNCc1c(F)cccc1F ZINC000274790647 386422415 /nfs/dbraw/zinc/42/24/15/386422415.db2.gz YDGVDQPOJSPNGT-UHFFFAOYSA-N 0 1 229.270 2.215 20 0 BEADMN CN[C@H](C)c1cn(Cc2ccc(F)cc2C)nn1 ZINC000311213599 386425024 /nfs/dbraw/zinc/42/50/24/386425024.db2.gz LWPQBEWDKMARDQ-SNVBAGLBSA-N 0 1 248.305 2.054 20 0 BEADMN CCC(CC)([NH2+]Cc1ncc(C)s1)C(=O)[O-] ZINC000417596291 386425265 /nfs/dbraw/zinc/42/52/65/386425265.db2.gz ZNOMHPBSSBATMI-UHFFFAOYSA-N 0 1 242.344 2.185 20 0 BEADMN Cc1cc(CN2CCCC(C)(C)C2)nn1C ZINC000336710487 386425649 /nfs/dbraw/zinc/42/56/49/386425649.db2.gz ZFCVAXYCQNTSMX-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@@H]1CCC[C@H]1NCc1nnc(C)o1 ZINC000379929453 386426416 /nfs/dbraw/zinc/42/64/16/386426416.db2.gz NNRMNIBGBNRJEH-NXEZZACHSA-N 0 1 209.293 2.046 20 0 BEADMN CCC[C@]1(C)CCCN(C(=O)c2cnc[nH]2)C1 ZINC000266352337 386429023 /nfs/dbraw/zinc/42/90/23/386429023.db2.gz PGVHVNLHIJABLU-CYBMUJFWSA-N 0 1 235.331 2.452 20 0 BEADMN CC[C@@H](N[C@H](C)c1nc(C)no1)C1CC1 ZINC000639097466 386430002 /nfs/dbraw/zinc/43/00/02/386430002.db2.gz LJWYDVKTYJNNSU-GMSGAONNSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H](N[C@H]1C[C@@H](C)n2ccnc21)[C@@]1(C)CCCO1 ZINC000453331759 386431011 /nfs/dbraw/zinc/43/10/11/386431011.db2.gz AHVYNDPDYAQTQU-NRWUCQMLSA-N 0 1 249.358 2.436 20 0 BEADMN COc1ncncc1CN1CCC[C@H](C2CC2)C1 ZINC000648036575 386430914 /nfs/dbraw/zinc/43/09/14/386430914.db2.gz OXDURCSAILFOBZ-LBPRGKRZSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1nc(CN[C@@H](C)[C@H]2CCCO2)c(C)s1 ZINC000336777739 386434677 /nfs/dbraw/zinc/43/46/77/386434677.db2.gz JJRCKESFRDZWMB-QPUJVOFHSA-N 0 1 240.372 2.417 20 0 BEADMN Cc1oncc1CN1CCSC[C@@H]1C1CC1 ZINC000336291515 386436063 /nfs/dbraw/zinc/43/60/63/386436063.db2.gz GMANUOUDHAYMCG-GFCCVEGCSA-N 0 1 238.356 2.310 20 0 BEADMN Cc1[nH]ncc1CN[C@H](C(C)C)C(F)(F)F ZINC000336734727 386467245 /nfs/dbraw/zinc/46/72/45/386467245.db2.gz HMGGMHVOCUSMEM-SECBINFHSA-N 0 1 235.253 2.395 20 0 BEADMN Cc1cc([C@@H](C)NCC(C)(C)C(C)(C)O)no1 ZINC000453349900 386467781 /nfs/dbraw/zinc/46/77/81/386467781.db2.gz HQKANNWQWZNIEH-SNVBAGLBSA-N 0 1 240.347 2.431 20 0 BEADMN CN(Cc1nccn1C)C1Cc2ccccc2C1 ZINC000299562469 386468049 /nfs/dbraw/zinc/46/80/49/386468049.db2.gz FOJPMAFWEHKLGO-UHFFFAOYSA-N 0 1 241.338 2.019 20 0 BEADMN C[C@H](C(=O)N1CCCCCC1)N1C[C@@H](C)[C@@H]1C ZINC000339570596 386470648 /nfs/dbraw/zinc/47/06/48/386470648.db2.gz XGYAVGPGGHNLOH-FRRDWIJNSA-N 0 1 238.375 2.118 20 0 BEADMN CCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277882989 386472540 /nfs/dbraw/zinc/47/25/40/386472540.db2.gz PGNHWQHUPHZZKA-IUCAKERBSA-N 0 1 238.335 2.296 20 0 BEADMN Cc1cn[nH]c1CN1CCc2ccccc21 ZINC000290771968 386473933 /nfs/dbraw/zinc/47/39/33/386473933.db2.gz BIEXQLVVSBGHGH-UHFFFAOYSA-N 0 1 213.284 2.281 20 0 BEADMN CCn1cc([C@@H](C)NCc2ccnc(C)c2)cn1 ZINC000391194745 386474491 /nfs/dbraw/zinc/47/44/91/386474491.db2.gz REDYDQBNZWJFNB-GFCCVEGCSA-N 0 1 244.342 2.457 20 0 BEADMN C[C@@H]1c2ccsc2CCN1C(=O)c1cnc[nH]1 ZINC000299625350 386474559 /nfs/dbraw/zinc/47/45/59/386474559.db2.gz KJFSMGGBMAOXBA-MRVPVSSYSA-N 0 1 247.323 2.231 20 0 BEADMN CCC[C@H](C(=O)OCC)N1C[C@H](C)[C@@H]1C ZINC000339560430 386475632 /nfs/dbraw/zinc/47/56/32/386475632.db2.gz AYAXLUAJNNJLMD-GARJFASQSA-N 0 1 213.321 2.058 20 0 BEADMN CCc1ccc(CCN(C)Cc2nnc[nH]2)cc1 ZINC000266861438 386476093 /nfs/dbraw/zinc/47/60/93/386476093.db2.gz JZCXNSFEDIJCIC-UHFFFAOYSA-N 0 1 244.342 2.042 20 0 BEADMN CCC[C@@]1(CO)CCCN1Cc1cscn1 ZINC000277925093 386478304 /nfs/dbraw/zinc/47/83/04/386478304.db2.gz YHKFWNKSWNPHOS-LBPRGKRZSA-N 0 1 240.372 2.270 20 0 BEADMN CC(C)n1nccc1CN[C@H]1CCC[C@@H]1F ZINC000339588430 386480270 /nfs/dbraw/zinc/48/02/70/386480270.db2.gz XOQNRZZEXLLHBA-RYUDHWBXSA-N 0 1 225.311 2.444 20 0 BEADMN CCN(Cc1cc(C(C)=O)no1)CC1CC1 ZINC000519551357 386485756 /nfs/dbraw/zinc/48/57/56/386485756.db2.gz RJPGZFIKDROZHQ-UHFFFAOYSA-N 0 1 222.288 2.109 20 0 BEADMN Cc1cc(CC(=O)NC2CCC3(CC3)CC2)[nH]n1 ZINC000278075164 386488072 /nfs/dbraw/zinc/48/80/72/386488072.db2.gz XJNQRCFQIZSMNO-UHFFFAOYSA-N 0 1 247.342 2.100 20 0 BEADMN C[C@@H](C(=O)NCC(C)(F)F)N1CCCCCC1 ZINC000519565958 386489279 /nfs/dbraw/zinc/48/92/79/386489279.db2.gz QXTMULNKXJQJCA-JTQLQIEISA-N 0 1 248.317 2.022 20 0 BEADMN Cc1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)o1 ZINC000335433916 386491305 /nfs/dbraw/zinc/49/13/05/386491305.db2.gz LGWJTHJDPGIBQM-GFCCVEGCSA-N 0 1 235.327 2.467 20 0 BEADMN CCCc1csc(CN[C@@H](CO)C(C)C)n1 ZINC000336777802 386496552 /nfs/dbraw/zinc/49/65/52/386496552.db2.gz JOWIHIFJEPLXFV-NSHDSACASA-N 0 1 242.388 2.202 20 0 BEADMN Cc1ccoc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291032375 386502464 /nfs/dbraw/zinc/50/24/64/386502464.db2.gz BNZXYHVGAIKBPD-JTQLQIEISA-N 0 1 245.269 2.038 20 0 BEADMN Cc1nc(CN[C@@H]2CC(C)(C)OC2(C)C)co1 ZINC000647971372 386506279 /nfs/dbraw/zinc/50/62/79/386506279.db2.gz CRNMHNZVUCFOSL-LLVKDONJSA-N 0 1 238.331 2.419 20 0 BEADMN CCC[C@H](NC(=O)[C@@H]1CCCN1C)C(C)(C)C ZINC000456119959 386506853 /nfs/dbraw/zinc/50/68/53/386506853.db2.gz SMEVPRXSCGWFLO-RYUDHWBXSA-N 0 1 240.391 2.412 20 0 BEADMN Cc1ccoc1C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000335444061 386506724 /nfs/dbraw/zinc/50/67/24/386506724.db2.gz RBXICOZIKSMCGG-ONGXEEELSA-N 0 1 237.299 2.131 20 0 BEADMN c1nc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c[nH]1 ZINC000366454548 386508554 /nfs/dbraw/zinc/50/85/54/386508554.db2.gz DCZXFWGXJBZSPS-CHWSQXEVSA-N 0 1 249.358 2.048 20 0 BEADMN CCc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)n[nH]1 ZINC000291085365 386509972 /nfs/dbraw/zinc/50/99/72/386509972.db2.gz KEMIECCJHIKSOT-LBPRGKRZSA-N 0 1 247.342 2.233 20 0 BEADMN C[C@@H](N(C)Cc1ncccn1)C(C)(C)C ZINC000519614568 386511716 /nfs/dbraw/zinc/51/17/16/386511716.db2.gz BCHSVQDQEGUBRQ-SNVBAGLBSA-N 0 1 207.321 2.343 20 0 BEADMN CCC1(C)CN(C(=O)c2ccc3cncn3c2)C1 ZINC000291098327 386512137 /nfs/dbraw/zinc/51/21/37/386512137.db2.gz RELSSEKFIDOOAE-UHFFFAOYSA-N 0 1 243.310 2.206 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)N(C)CCC(C)C ZINC000645411898 386518604 /nfs/dbraw/zinc/51/86/04/386518604.db2.gz ASDMISUABRTHIE-AWEZNQCLSA-N 0 1 248.370 2.499 20 0 BEADMN C[C@H]1CN(Cc2ccn(C)c2)CC2(CCC2)O1 ZINC000335449484 386520225 /nfs/dbraw/zinc/52/02/25/386520225.db2.gz MPDLCQXUJRIMSI-LBPRGKRZSA-N 0 1 234.343 2.169 20 0 BEADMN Cc1cnccc1CN1CCOC[C@@H]1C1CCC1 ZINC000335450387 386521512 /nfs/dbraw/zinc/52/15/12/386521512.db2.gz WHAHTFNADXHCCA-OAHLLOKOSA-N 0 1 246.354 2.391 20 0 BEADMN Cc1cnccc1CN1CCOC[C@H]1C1CCC1 ZINC000335450386 386521798 /nfs/dbraw/zinc/52/17/98/386521798.db2.gz WHAHTFNADXHCCA-HNNXBMFYSA-N 0 1 246.354 2.391 20 0 BEADMN CSC1(CNCc2nccn2C(F)F)CC1 ZINC000227948527 386522333 /nfs/dbraw/zinc/52/23/33/386522333.db2.gz RFCNSTBLJXWBBI-UHFFFAOYSA-N 0 1 247.314 2.263 20 0 BEADMN Cc1cc(CN(C)C[C@H]2CCSC2)no1 ZINC000278433946 386525733 /nfs/dbraw/zinc/52/57/33/386525733.db2.gz KJUYLHBHEOLCMX-SNVBAGLBSA-N 0 1 226.345 2.168 20 0 BEADMN Cc1c[nH]nc1CN(C)CCc1ccccc1 ZINC000290563406 386453039 /nfs/dbraw/zinc/45/30/39/386453039.db2.gz XVHCYGHUNIKHIT-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN CC(C)C1(NCc2nnc3n2CCCCC3)CC1 ZINC000339502460 386453661 /nfs/dbraw/zinc/45/36/61/386453661.db2.gz ATUGKKAGGNOYJU-UHFFFAOYSA-N 0 1 248.374 2.283 20 0 BEADMN CCN(Cc1cn(C(C)C)nn1)CC(C)C ZINC000347576350 386454894 /nfs/dbraw/zinc/45/48/94/386454894.db2.gz BBGQCHLAHMKNTC-UHFFFAOYSA-N 0 1 224.352 2.337 20 0 BEADMN CCC[C@@]1(CO)CCCN1Cc1nccs1 ZINC000277664531 386455901 /nfs/dbraw/zinc/45/59/01/386455901.db2.gz FDRSEQMIMXNRBJ-LBPRGKRZSA-N 0 1 240.372 2.270 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1 ZINC000299496966 386457662 /nfs/dbraw/zinc/45/76/62/386457662.db2.gz HCGZATJSXKJORH-KBPBESRZSA-N 0 1 246.354 2.348 20 0 BEADMN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C)cc1 ZINC000299482660 386459074 /nfs/dbraw/zinc/45/90/74/386459074.db2.gz DBDRBKJTXQCHKQ-TZMCWYRMSA-N 0 1 246.354 2.266 20 0 BEADMN C[C@H](NC(=O)[C@H]1CCCN1C)c1cccs1 ZINC000299489658 386459104 /nfs/dbraw/zinc/45/91/04/386459104.db2.gz FMNSHPZBGIJKSW-VHSXEESVSA-N 0 1 238.356 2.020 20 0 BEADMN C[C@H](NC(=O)[C@@H]1CCCN1C)c1cccs1 ZINC000299489655 386459442 /nfs/dbraw/zinc/45/94/42/386459442.db2.gz FMNSHPZBGIJKSW-UWVGGRQHSA-N 0 1 238.356 2.020 20 0 BEADMN O=C(NCCC1CC1)c1cc2[nH]cnc2cc1F ZINC000644863360 386465083 /nfs/dbraw/zinc/46/50/83/386465083.db2.gz PYGJWBBZEDUKAV-UHFFFAOYSA-N 0 1 247.273 2.232 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(CC)CC ZINC000097992717 386575408 /nfs/dbraw/zinc/57/54/08/386575408.db2.gz XATGCCGXOJBROJ-JTQLQIEISA-N 0 1 201.310 2.060 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000267843913 386590155 /nfs/dbraw/zinc/59/01/55/386590155.db2.gz BCDSFRFRSKOSMH-ZJUUUORDSA-N 0 1 243.310 2.433 20 0 BEADMN CC(C)C[C@@H]1CCN(C(=O)c2cnccc2N)C1 ZINC000187746985 386590981 /nfs/dbraw/zinc/59/09/81/386590981.db2.gz LSHCDNSRPSUFMR-NSHDSACASA-N 0 1 247.342 2.172 20 0 BEADMN CC(C(=O)NCc1cn[nH]c1C)=C1CCCC1 ZINC000267875032 386593140 /nfs/dbraw/zinc/59/31/40/386593140.db2.gz RKRNYCZJQVBZDI-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN CC(C)=CCN[C@@H](c1nccn1C)C1CC1 ZINC000188451884 386593546 /nfs/dbraw/zinc/59/35/46/386593546.db2.gz RGTDHMXKUQIPPX-GFCCVEGCSA-N 0 1 219.332 2.427 20 0 BEADMN Cc1ccc([C@@H](N)C(=O)N(C)C2CCCC2)cc1 ZINC000228078581 386538971 /nfs/dbraw/zinc/53/89/71/386538971.db2.gz XOARXXWWBVUZTN-CQSZACIVSA-N 0 1 246.354 2.396 20 0 BEADMN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228089872 386540197 /nfs/dbraw/zinc/54/01/97/386540197.db2.gz KXYXXOPBYGTZPZ-MCIONIFRSA-N 0 1 246.354 2.300 20 0 BEADMN Cc1cccc(CCN2CC[C@@](C)(F)C2)n1 ZINC000335463291 386547692 /nfs/dbraw/zinc/54/76/92/386547692.db2.gz PVDAUBHJYCOFES-CYBMUJFWSA-N 0 1 222.307 2.366 20 0 BEADMN Cc1cccc(CCN2CCOC(C)(C)[C@H]2C)n1 ZINC000335462865 386548792 /nfs/dbraw/zinc/54/87/92/386548792.db2.gz OVIARQOZVLXTCW-CYBMUJFWSA-N 0 1 248.370 2.432 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000453389076 386554971 /nfs/dbraw/zinc/55/49/71/386554971.db2.gz CLGLFWKJIHTKII-FRRDWIJNSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1nc(C)c(NC(=O)CN(C)C(C)C)s1 ZINC000267559087 386555301 /nfs/dbraw/zinc/55/53/01/386555301.db2.gz CWXUGCKFMRUADU-UHFFFAOYSA-N 0 1 241.360 2.039 20 0 BEADMN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cnn(C)c1 ZINC000163918288 386558775 /nfs/dbraw/zinc/55/87/75/386558775.db2.gz WQKXNSCHATZFFV-VHSXEESVSA-N 0 1 248.305 2.366 20 0 BEADMN CC(C)n1cncc1CN(C)[C@@H]1CCSC1 ZINC000425321221 386559479 /nfs/dbraw/zinc/55/94/79/386559479.db2.gz DSKNIJOQYYUTQL-LLVKDONJSA-N 0 1 239.388 2.401 20 0 BEADMN COC[C@H](N[C@H]1COC(C)(C)C1)c1ccco1 ZINC000417933422 386559405 /nfs/dbraw/zinc/55/94/05/386559405.db2.gz DUGIOOTWDSHZIH-MNOVXSKESA-N 0 1 239.315 2.124 20 0 BEADMN c1ncc(CN2CC3(CCC3)[C@H]2C2CC2)cn1 ZINC000291650803 386563752 /nfs/dbraw/zinc/56/37/52/386563752.db2.gz UODOWLYKDHVLSJ-CYBMUJFWSA-N 0 1 229.327 2.241 20 0 BEADMN Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2C)c1 ZINC000267684084 386571564 /nfs/dbraw/zinc/57/15/64/386571564.db2.gz DXMBNUSYSPDPQI-SNVBAGLBSA-N 0 1 243.310 2.496 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](C)C2)n[nH]1 ZINC000267680440 386572170 /nfs/dbraw/zinc/57/21/70/386572170.db2.gz PGSDFGVAXLWOIP-AOOOYVTPSA-N 0 1 235.331 2.261 20 0 BEADMN CC(C)c1nc(C[S@](=O)c2ccccc2)n[nH]1 ZINC000292125201 386624738 /nfs/dbraw/zinc/62/47/38/386624738.db2.gz RSXBZLDGZHBTQR-KRWDZBQOSA-N 0 1 249.339 2.236 20 0 BEADMN CC[C@H](N[C@@H]1CN(CC)C[C@@H]1C)C(F)(F)F ZINC000336782181 386631446 /nfs/dbraw/zinc/63/14/46/386631446.db2.gz WWYBJRJFSSVZTJ-AEJSXWLSSA-N 0 1 238.297 2.257 20 0 BEADMN C[C@H]1CNCCN1C(=O)C1CCC(C)(C)CC1 ZINC000335502826 386631730 /nfs/dbraw/zinc/63/17/30/386631730.db2.gz KFPJUUIMRXNHEK-NSHDSACASA-N 0 1 238.375 2.023 20 0 BEADMN CC(C)C[C@H](C)CN(C)[C@@H](C)CS(C)(=O)=O ZINC000337170562 386632567 /nfs/dbraw/zinc/63/25/67/386632567.db2.gz FHHXXUMNPZTIAF-RYUDHWBXSA-N 0 1 249.420 2.034 20 0 BEADMN CC(C)C[C@@H](C)CN(C)[C@H](C)CS(C)(=O)=O ZINC000337170563 386633471 /nfs/dbraw/zinc/63/34/71/386633471.db2.gz FHHXXUMNPZTIAF-VXGBXAGGSA-N 0 1 249.420 2.034 20 0 BEADMN Cc1occc1CNC1(CF)CCOCC1 ZINC000414467485 386634247 /nfs/dbraw/zinc/63/42/47/386634247.db2.gz IIMQPFZEBPIYMV-UHFFFAOYSA-N 0 1 227.279 2.196 20 0 BEADMN C[C@@H](NCc1ccc2c[nH]nc2c1)c1cn[nH]c1 ZINC000339790302 386640978 /nfs/dbraw/zinc/64/09/78/386640978.db2.gz RCIKKKXQVFVAQN-SECBINFHSA-N 0 1 241.298 2.137 20 0 BEADMN CCc1ncc(CN2CC[C@@H]2C2CC2)cn1 ZINC000414469449 386642219 /nfs/dbraw/zinc/64/22/19/386642219.db2.gz MFYAFHLYXQLANY-GFCCVEGCSA-N 0 1 217.316 2.023 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)CCN1 ZINC000335509382 386642592 /nfs/dbraw/zinc/64/25/92/386642592.db2.gz HBKBKMVHHLJQJU-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@H]1C(=O)NCCN1CCCC(C)(C)C ZINC000337189822 386642683 /nfs/dbraw/zinc/64/26/83/386642683.db2.gz RJYUDMQOJWRLQB-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN Cc1nnc(CN[C@@H]2CCCCC2(C)C)o1 ZINC000119780479 386645365 /nfs/dbraw/zinc/64/53/65/386645365.db2.gz AQNYTRGQBBYUIE-SNVBAGLBSA-N 0 1 223.320 2.436 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC2CCCCC2)C1 ZINC000062936347 386646336 /nfs/dbraw/zinc/64/63/36/386646336.db2.gz IFICDXMNCKKYGH-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1nc(CN2c3ccccc3C[C@H]2C)n[nH]1 ZINC000292294375 386646429 /nfs/dbraw/zinc/64/64/29/386646429.db2.gz ZDIMLJWPGGDBGR-SECBINFHSA-N 0 1 228.299 2.064 20 0 BEADMN C[C@@H](NC[C@H](C)C(F)(F)F)c1cnccn1 ZINC000336759093 386649665 /nfs/dbraw/zinc/64/96/65/386649665.db2.gz ZXVHYFUWZASLJQ-JGVFFNPUSA-N 0 1 233.237 2.326 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](F)C2)c1C ZINC000335518749 386654573 /nfs/dbraw/zinc/65/45/73/386654573.db2.gz FWHWVFAZTVNQQM-UWVGGRQHSA-N 0 1 239.294 2.037 20 0 BEADMN CC(=O)[C@@H](C)CSc1nc(C(C)(C)C)n[nH]1 ZINC000267970065 386603216 /nfs/dbraw/zinc/60/32/16/386603216.db2.gz BDYSNFGSLVCBDI-ZETCQYMHSA-N 0 1 241.360 2.419 20 0 BEADMN CC(=O)[C@@H](C)CSc1n[nH]c(C(C)(C)C)n1 ZINC000267970065 386603223 /nfs/dbraw/zinc/60/32/23/386603223.db2.gz BDYSNFGSLVCBDI-ZETCQYMHSA-N 0 1 241.360 2.419 20 0 BEADMN Cc1sccc1CN[C@@H](C)C(=O)NC(C)C ZINC000336645367 386609866 /nfs/dbraw/zinc/60/98/66/386609866.db2.gz CZFAJKFCOGAZPZ-VIFPVBQESA-N 0 1 240.372 2.059 20 0 BEADMN Cc1nnc(CN2CC[C@H](C3CCCC3)C2)o1 ZINC000335493182 386612302 /nfs/dbraw/zinc/61/23/02/386612302.db2.gz XLJRQPFACURFLF-LBPRGKRZSA-N 0 1 235.331 2.390 20 0 BEADMN NCC(F)(F)CN[C@H]1CCCC[C@@H]1C1CC1 ZINC000414923993 386613918 /nfs/dbraw/zinc/61/39/18/386613918.db2.gz FYPLNXIEQBIOIR-MNOVXSKESA-N 0 1 232.318 2.139 20 0 BEADMN Cc1nc(C[S@](=O)c2ccc(C)c(C)c2)n[nH]1 ZINC000292074129 386615642 /nfs/dbraw/zinc/61/56/42/386615642.db2.gz LPBWGQLWNZYUME-KRWDZBQOSA-N 0 1 249.339 2.038 20 0 BEADMN C[C@H](O)CC[N@H+]1Cc2ccccc2[C@H]1C ZINC000335520946 386659334 /nfs/dbraw/zinc/65/93/34/386659334.db2.gz LKNKHRVEOCWVLW-WDEREUQCSA-N 0 1 205.301 2.334 20 0 BEADMN Cc1noc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)n1 ZINC000335520979 386659525 /nfs/dbraw/zinc/65/95/25/386659525.db2.gz SFNFJMIGULBPDK-SNVBAGLBSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1noc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC000335520979 386659530 /nfs/dbraw/zinc/65/95/30/386659530.db2.gz SFNFJMIGULBPDK-SNVBAGLBSA-N 0 1 223.320 2.246 20 0 BEADMN Cc1ccnc(CN2CCC(C)(C)CC2)n1 ZINC000335521453 386661778 /nfs/dbraw/zinc/66/17/78/386661778.db2.gz WAZRLLAXKWOLAQ-UHFFFAOYSA-N 0 1 219.332 2.407 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000520426554 386673155 /nfs/dbraw/zinc/67/31/55/386673155.db2.gz LRXYUYZMSNQBDT-UTUOFQBUSA-N 0 1 249.358 2.093 20 0 BEADMN Cc1nc([C@@](C)(NCC2CCC2)C2CC2)no1 ZINC000645024321 386675591 /nfs/dbraw/zinc/67/55/91/386675591.db2.gz USAOTQKKQKEOQT-ZDUSSCGKSA-N 0 1 235.331 2.393 20 0 BEADMN CC(=O)N1CCN(Cc2ccccc2C)[C@@H](C)C1 ZINC000268673017 386677582 /nfs/dbraw/zinc/67/75/82/386677582.db2.gz KRDWKWZEACRPRD-ZDUSSCGKSA-N 0 1 246.354 2.048 20 0 BEADMN C[C@H](NCc1ncc(C2CC2)o1)[C@@H]1CCOC1 ZINC000337229235 386680037 /nfs/dbraw/zinc/68/00/37/386680037.db2.gz UUYKJLVOTXEAOP-GXSJLCMTSA-N 0 1 236.315 2.067 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357021466 386680374 /nfs/dbraw/zinc/68/03/74/386680374.db2.gz IBLDBOKTZFRZBX-QWRGUYRKSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268705685 386683812 /nfs/dbraw/zinc/68/38/12/386683812.db2.gz BMZCRSFIDKETQA-UHFFFAOYSA-N 0 1 235.209 2.413 20 0 BEADMN COc1nccnc1CN(C)CCC(C)(C)C ZINC000648059715 386686154 /nfs/dbraw/zinc/68/61/54/386686154.db2.gz DYDOXPCMZWZEOZ-UHFFFAOYSA-N 0 1 237.347 2.353 20 0 BEADMN C[C@H](C1CCC1)N(C)Cc1nccn1C ZINC000357028986 386687979 /nfs/dbraw/zinc/68/79/79/386687979.db2.gz UYJIZSPGXLVJEO-SNVBAGLBSA-N 0 1 207.321 2.041 20 0 BEADMN CCOC[C@H]1CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000357009758 386688405 /nfs/dbraw/zinc/68/84/05/386688405.db2.gz RJFDWAHZSFRKHO-RYUDHWBXSA-N 0 1 238.331 2.402 20 0 BEADMN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)C ZINC000268754235 386692553 /nfs/dbraw/zinc/69/25/53/386692553.db2.gz WXPPDKIPXHEVFR-NSHDSACASA-N 0 1 242.269 2.244 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000526931099 386692895 /nfs/dbraw/zinc/69/28/95/386692895.db2.gz ZCHDYNWCTLVHDQ-RKDXNWHRSA-N 0 1 245.282 2.293 20 0 BEADMN Cc1cc(CN2CCS[C@H](C)[C@H]2C)ncn1 ZINC000292610514 386695491 /nfs/dbraw/zinc/69/54/91/386695491.db2.gz XAJJXOPHIYYXQI-GHMZBOCLSA-N 0 1 237.372 2.111 20 0 BEADMN COCc1ccc(CNCc2ccn(C)c2)o1 ZINC000268797424 386695741 /nfs/dbraw/zinc/69/57/41/386695741.db2.gz ORVUIVQCBMQIQY-UHFFFAOYSA-N 0 1 234.299 2.054 20 0 BEADMN Cc1cc(CNC(=O)[C@H]2CC3CCC2CC3)n[nH]1 ZINC000645439089 386696290 /nfs/dbraw/zinc/69/62/90/386696290.db2.gz STXJUZSZKLJDKH-XIVSLSHWSA-N 0 1 247.342 2.161 20 0 BEADMN CC(C)CCOCCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000357033103 386696372 /nfs/dbraw/zinc/69/63/72/386696372.db2.gz DVFSBWYGRICAQI-KBPBESRZSA-N 0 1 242.407 2.074 20 0 BEADMN C[C@@H]1CN(c2cc[nH+]c3c([O-])cccc23)CCO1 ZINC000645050857 386697135 /nfs/dbraw/zinc/69/71/35/386697135.db2.gz QXDICROVAOYNGC-SNVBAGLBSA-N 0 1 244.294 2.166 20 0 BEADMN C[C@H](C1CCC1)N(C)Cc1nnc2n1CCCC2 ZINC000357028303 386697838 /nfs/dbraw/zinc/69/78/38/386697838.db2.gz UJEQCSVNAXOKMR-LLVKDONJSA-N 0 1 248.374 2.235 20 0 BEADMN C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ncn(C)n1 ZINC000391943080 386702150 /nfs/dbraw/zinc/70/21/50/386702150.db2.gz SOIPCBYOZZWCML-NOOOWODRSA-N 0 1 236.363 2.290 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cn2ccc(C)cc2n1 ZINC000268861418 386706520 /nfs/dbraw/zinc/70/65/20/386706520.db2.gz JQOUDNUGGYGWMX-RYUDHWBXSA-N 0 1 247.342 2.156 20 0 BEADMN CCCCCC(=O)Nc1cccc2[nH]nnc21 ZINC000204488665 386707821 /nfs/dbraw/zinc/70/78/21/386707821.db2.gz FXUKOHRYYFQTKZ-UHFFFAOYSA-N 0 1 232.287 2.477 20 0 BEADMN COCc1noc([C@H](C)N[C@@H]2CCC[C@H]2C)n1 ZINC000330411286 386708197 /nfs/dbraw/zinc/70/81/97/386708197.db2.gz YZBFWXLWXZITIH-KXUCPTDWSA-N 0 1 239.319 2.055 20 0 BEADMN CCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269023615 386737763 /nfs/dbraw/zinc/73/77/63/386737763.db2.gz VLGDYKPTDNZEDL-SNVBAGLBSA-N 0 1 221.304 2.094 20 0 BEADMN O=C(CCC1CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000269025745 386739550 /nfs/dbraw/zinc/73/95/50/386739550.db2.gz VUYRPSHYNALFKO-NSHDSACASA-N 0 1 233.315 2.094 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)[C@H]1C ZINC000292869565 386739563 /nfs/dbraw/zinc/73/95/63/386739563.db2.gz AXKRIZHFUQOUCD-VYUIOLGVSA-N 0 1 241.281 2.338 20 0 BEADMN Cc1ccncc1CNCc1ccccc1CO ZINC000526979574 386716966 /nfs/dbraw/zinc/71/69/66/386716966.db2.gz SBYOFIPSIXSZGT-UHFFFAOYSA-N 0 1 242.322 2.172 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCC(C)=C(C)C2)[nH]1 ZINC000335536236 386740111 /nfs/dbraw/zinc/74/01/11/386740111.db2.gz QKWUWUYQOWFINN-JTQLQIEISA-N 0 1 234.303 2.188 20 0 BEADMN CCc1cccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000263575374 386721184 /nfs/dbraw/zinc/72/11/84/386721184.db2.gz OXYJKTPYYXPZMB-JTQLQIEISA-N 0 1 221.300 2.154 20 0 BEADMN CC=CC=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268937980 386723130 /nfs/dbraw/zinc/72/31/30/386723130.db2.gz GKCIUTUKUNWUMC-CUXVHTKASA-N 0 1 231.299 2.036 20 0 BEADMN CCCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268962216 386728656 /nfs/dbraw/zinc/72/86/56/386728656.db2.gz JZZTYEFFBMQSSA-LLVKDONJSA-N 0 1 235.331 2.484 20 0 BEADMN CC(C)(C)[C@@H]1CN(CCc2cccnc2)CCO1 ZINC000279847244 386745278 /nfs/dbraw/zinc/74/52/78/386745278.db2.gz RWUJLWRFGBKMRQ-AWEZNQCLSA-N 0 1 248.370 2.371 20 0 BEADMN CCC1(C)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC000334148325 386745603 /nfs/dbraw/zinc/74/56/03/386745603.db2.gz FZASGBHTWUATFH-UHFFFAOYSA-N 0 1 233.315 2.159 20 0 BEADMN C[C@@H](NCc1ccsc1)c1ccnn1C ZINC000192251450 386750306 /nfs/dbraw/zinc/75/03/06/386750306.db2.gz QXOJDKKIQNUORE-SECBINFHSA-N 0 1 221.329 2.332 20 0 BEADMN Cn1ccc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000334152453 386752758 /nfs/dbraw/zinc/75/27/58/386752758.db2.gz WFZLOZBTCUNSFS-DGCLKSJQSA-N 0 1 219.332 2.185 20 0 BEADMN C[C@@H](CC1CCCC1)C(=O)N1CCNC[C@H]1C ZINC000125038522 386754698 /nfs/dbraw/zinc/75/46/98/386754698.db2.gz NRIYSDBBHVXVQX-NWDGAFQWSA-N 0 1 238.375 2.023 20 0 BEADMN Fc1cccc(F)c1CCNCc1cocn1 ZINC000192288630 386755193 /nfs/dbraw/zinc/75/51/93/386755193.db2.gz VOIXUZIDKDTTGH-UHFFFAOYSA-N 0 1 238.237 2.285 20 0 BEADMN CN(C)c1ccncc1C(=O)NCCC1(C)CC1 ZINC000279930311 386757424 /nfs/dbraw/zinc/75/74/24/386757424.db2.gz JDIAPFZYMVVFDS-UHFFFAOYSA-N 0 1 247.342 2.068 20 0 BEADMN Cc1cnc(CN(C[C@H](C)O)C(C)C)s1 ZINC000357328799 386761824 /nfs/dbraw/zinc/76/18/24/386761824.db2.gz CIUHRTWVEYGQQP-VIFPVBQESA-N 0 1 228.361 2.043 20 0 BEADMN c1nc(CNCCc2cc3ccccc3[nH]2)co1 ZINC000192333829 386763859 /nfs/dbraw/zinc/76/38/59/386763859.db2.gz ZROPKRBZHGPUMP-UHFFFAOYSA-N 0 1 241.294 2.488 20 0 BEADMN CC(C)[C@H]1OCCC[C@@H]1CNCc1cocn1 ZINC000192323021 386764139 /nfs/dbraw/zinc/76/41/39/386764139.db2.gz HNXMMFQXPVMUEH-DGCLKSJQSA-N 0 1 238.331 2.215 20 0 BEADMN CCc1cnc(CCNCc2cocn2)s1 ZINC000192319977 386765269 /nfs/dbraw/zinc/76/52/69/386765269.db2.gz GSMQCPUADPWMPK-UHFFFAOYSA-N 0 1 237.328 2.026 20 0 BEADMN C[C@H](CNCc1cocn1)c1nccs1 ZINC000192343443 386767367 /nfs/dbraw/zinc/76/73/67/386767367.db2.gz ANFUTAAZKLXNGT-MRVPVSSYSA-N 0 1 223.301 2.024 20 0 BEADMN c1nc(CNCCC[C@H]2CCCCO2)co1 ZINC000192343750 386768660 /nfs/dbraw/zinc/76/86/60/386768660.db2.gz FUABOBRLXNUVRP-GFCCVEGCSA-N 0 1 224.304 2.114 20 0 BEADMN C[C@@H](C(=O)NCc1ccccc1)N1C[C@@H](C)[C@@H]1C ZINC000293245006 386792182 /nfs/dbraw/zinc/79/21/82/386792182.db2.gz BFLUZKWDVQOPAO-AGIUHOORSA-N 0 1 246.354 2.032 20 0 BEADMN CCCc1csc(CNCCOCC)n1 ZINC000336761988 386792602 /nfs/dbraw/zinc/79/26/02/386792602.db2.gz NICYSZWYQFDKIG-UHFFFAOYSA-N 0 1 228.361 2.222 20 0 BEADMN Cc1noc([C@H](C)N[C@@H]2CCC[C@@H]2C)n1 ZINC000336761587 386771115 /nfs/dbraw/zinc/77/11/15/386771115.db2.gz NNOSMOHHBQCFSD-OYNCUSHFSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H]1CC2(CN1Cc1cocn1)CCOCC2 ZINC000648070528 386779981 /nfs/dbraw/zinc/77/99/81/386779981.db2.gz AZAGZQHCNWRQQV-NSHDSACASA-N 0 1 236.315 2.066 20 0 BEADMN CC(C)=CCNC(=O)c1cccc2nc[nH]c21 ZINC000334639333 386780410 /nfs/dbraw/zinc/78/04/10/386780410.db2.gz JPKFZIVJXWQRPZ-UHFFFAOYSA-N 0 1 229.283 2.259 20 0 BEADMN Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000003747820 386784064 /nfs/dbraw/zinc/78/40/64/386784064.db2.gz HTAXYGWZKFXSHH-ZDUSSCGKSA-N 0 1 233.311 2.352 20 0 BEADMN CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn[n-]1 ZINC000398367674 386816321 /nfs/dbraw/zinc/81/63/21/386816321.db2.gz BVBKXFBKLQYUPJ-RYUDHWBXSA-N 0 1 222.336 2.109 20 0 BEADMN COC(=O)c1occc1CN1C[C@H](C)C[C@@H]1C ZINC000353748431 386817187 /nfs/dbraw/zinc/81/71/87/386817187.db2.gz SBDJSDXSBLVKTR-ZJUUUORDSA-N 0 1 237.299 2.297 20 0 BEADMN COc1ncncc1CN1CCC[C@H](C)[C@H]1C ZINC000648005252 386821765 /nfs/dbraw/zinc/82/17/65/386821765.db2.gz YKMFEMGRXIDVAL-WDEREUQCSA-N 0 1 235.331 2.106 20 0 BEADMN C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)[C@H]1C ZINC000293292141 386797390 /nfs/dbraw/zinc/79/73/90/386797390.db2.gz DGKXTAQZLOLLRB-MBNYWOFBSA-N 0 1 244.338 2.132 20 0 BEADMN Cc1csc(C2(NCc3cnc[nH]3)CCC2)n1 ZINC000280277764 386797533 /nfs/dbraw/zinc/79/75/33/386797533.db2.gz RTPLQMYOKAJTRL-UHFFFAOYSA-N 0 1 248.355 2.344 20 0 BEADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCC(C)(C)C ZINC000113256920 386798689 /nfs/dbraw/zinc/79/86/89/386798689.db2.gz XBACTTRBGPAFIO-MNOVXSKESA-N 0 1 249.420 2.176 20 0 BEADMN Cc1[nH]ncc1CNc1cn(C)nc1C(C)C ZINC000280304593 386800443 /nfs/dbraw/zinc/80/04/43/386800443.db2.gz NTWBWAYTFNWSOP-UHFFFAOYSA-N 0 1 233.319 2.187 20 0 BEADMN CO[C@@]1(C)CCC[N@@H+](Cc2ccon2)CC1 ZINC000280303466 386800549 /nfs/dbraw/zinc/80/05/49/386800549.db2.gz FWLVVPSACSMNEQ-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN CO[C@@]1(C)CCCN(Cc2ccon2)CC1 ZINC000280303466 386800555 /nfs/dbraw/zinc/80/05/55/386800555.db2.gz FWLVVPSACSMNEQ-LBPRGKRZSA-N 0 1 224.304 2.066 20 0 BEADMN CCOC[C@@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000520750576 386802643 /nfs/dbraw/zinc/80/26/43/386802643.db2.gz ZMMPVKUEIUCBFQ-NSHDSACASA-N 0 1 215.312 2.380 20 0 BEADMN Cc1nc(CNC(C)(C)c2cccc(F)c2)n[nH]1 ZINC000293332031 386802969 /nfs/dbraw/zinc/80/29/69/386802969.db2.gz WUECLYWHCFNOFO-UHFFFAOYSA-N 0 1 248.305 2.277 20 0 BEADMN CC[C@H](N[C@@H]1CSC1(C)C)c1ccn(C)n1 ZINC000336744163 386803044 /nfs/dbraw/zinc/80/30/44/386803044.db2.gz UQHFHIYGHNNSSK-GXSJLCMTSA-N 0 1 239.388 2.355 20 0 BEADMN CCn1nncc1CN[C@H]1CCc2ccccc21 ZINC000417854377 386803324 /nfs/dbraw/zinc/80/33/24/386803324.db2.gz JPSNLNHSJUUPQP-AWEZNQCLSA-N 0 1 242.326 2.075 20 0 BEADMN CCCc1cc(C(=O)N(C)[C@H](C)C(C)C)n[nH]1 ZINC000027185667 386804332 /nfs/dbraw/zinc/80/43/32/386804332.db2.gz WFLSOFJDXOZHPE-SNVBAGLBSA-N 0 1 237.347 2.479 20 0 BEADMN C[C@@H](CC1CC1)NC(=O)c1ccc2cncn2c1 ZINC000339930620 386805499 /nfs/dbraw/zinc/80/54/99/386805499.db2.gz OJIBNZOFNPXGNI-JTQLQIEISA-N 0 1 243.310 2.253 20 0 BEADMN CC(C)c1nc(CN[C@@H](C)c2cccnc2)n[nH]1 ZINC000293369894 386809745 /nfs/dbraw/zinc/80/97/45/386809745.db2.gz YZORIERAZIINIQ-JTQLQIEISA-N 0 1 245.330 2.174 20 0 BEADMN CC(C)c1nc(CN[C@H](C)c2cccnc2)n[nH]1 ZINC000293369901 386809780 /nfs/dbraw/zinc/80/97/80/386809780.db2.gz YZORIERAZIINIQ-SNVBAGLBSA-N 0 1 245.330 2.174 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CCCC(F)(F)F ZINC000330645677 386809755 /nfs/dbraw/zinc/80/97/55/386809755.db2.gz UEAAWXSFNCYLKL-UHFFFAOYSA-N 0 1 249.236 2.067 20 0 BEADMN CCSCCNCc1noc2c1CCCC2 ZINC000290142990 386827926 /nfs/dbraw/zinc/82/79/26/386827926.db2.gz KLIGERPQZZXBGH-UHFFFAOYSA-N 0 1 240.372 2.396 20 0 BEADMN COC[C@H]1CCN1Cc1cnc2ccccc2c1 ZINC000293520911 386828588 /nfs/dbraw/zinc/82/85/88/386828588.db2.gz IORQFHWTHOTQLI-CQSZACIVSA-N 0 1 242.322 2.456 20 0 BEADMN CCC(O)(CC)CNc1ccnc(C)c1Cl ZINC000336673432 386831071 /nfs/dbraw/zinc/83/10/71/386831071.db2.gz TXEMGKQWKGRRFP-UHFFFAOYSA-N 0 1 242.750 2.428 20 0 BEADMN CO[C@]1(C)CCC[N@@H+](Cc2cccn2C)C1 ZINC000280653239 386832167 /nfs/dbraw/zinc/83/21/67/386832167.db2.gz SFLONRYRVDVXNY-CYBMUJFWSA-N 0 1 222.332 2.026 20 0 BEADMN COC[C@H]1CCN1C/C=C/c1ccccc1 ZINC000293550235 386837531 /nfs/dbraw/zinc/83/75/31/386837531.db2.gz LAUHXYJOPKKSEN-LHRNQBEKSA-N 0 1 217.312 2.421 20 0 BEADMN CC(C)c1nc(CSC2CCOCC2)n[nH]1 ZINC000330201212 386838074 /nfs/dbraw/zinc/83/80/74/386838074.db2.gz XKPVXCADXZOVDC-UHFFFAOYSA-N 0 1 241.360 2.340 20 0 BEADMN CC[C@@H](O)CCCNCc1ncc(C)s1 ZINC000398539689 386838658 /nfs/dbraw/zinc/83/86/58/386838658.db2.gz BTKFCJWMUGRESW-SNVBAGLBSA-N 0 1 228.361 2.092 20 0 BEADMN Cc1nnc(CN2CCCCC[C@H]2C)o1 ZINC000334783165 386841091 /nfs/dbraw/zinc/84/10/91/386841091.db2.gz YMOBXGRMELBWEX-SECBINFHSA-N 0 1 209.293 2.143 20 0 BEADMN CCC1(CC)[C@@H](NCc2ncccn2)C[C@@H]1OC ZINC000191381446 386891802 /nfs/dbraw/zinc/89/18/02/386891802.db2.gz WLDNOHDEKSMUDC-RYUDHWBXSA-N 0 1 249.358 2.160 20 0 BEADMN C[C@H]1CC[C@H](N(C)Cc2cnns2)C1 ZINC000334793646 386860421 /nfs/dbraw/zinc/86/04/21/386860421.db2.gz DCGGUAQMNJLMTB-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@@H]1CN(CC2CCCCC2)C[C@@H](C)S1=O ZINC000335743291 386861534 /nfs/dbraw/zinc/86/15/34/386861534.db2.gz CXQRKCHZDZQTIO-VXGBXAGGSA-N 0 1 243.416 2.408 20 0 BEADMN C[C@@H](c1nc(C2(N)CCC2)no1)C1CCC1 ZINC000334827817 386865129 /nfs/dbraw/zinc/86/51/29/386865129.db2.gz WSIKJLAUUVSTNQ-MRVPVSSYSA-N 0 1 221.304 2.311 20 0 BEADMN COC[C@H]1CCN1Cc1cc(C)ccc1F ZINC000293719013 386865680 /nfs/dbraw/zinc/86/56/80/386865680.db2.gz SZZLIDDZIWGEFQ-GFCCVEGCSA-N 0 1 223.291 2.355 20 0 BEADMN Cn1nccc1C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000335749001 386873402 /nfs/dbraw/zinc/87/34/02/386873402.db2.gz YYFSGJGSTZFPCE-STQMWFEESA-N 0 1 233.359 2.431 20 0 BEADMN Cn1nccc1C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000335748998 386873741 /nfs/dbraw/zinc/87/37/41/386873741.db2.gz YYFSGJGSTZFPCE-CHWSQXEVSA-N 0 1 233.359 2.431 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCC(C)(C)C1CCC1 ZINC000452783226 386873677 /nfs/dbraw/zinc/87/36/77/386873677.db2.gz HJXZMSLJEZWFSF-GFCCVEGCSA-N 0 1 238.375 2.023 20 0 BEADMN CN1CCC[C@H]1C(=O)NCC(C)(C)C1CCC1 ZINC000452783227 386875016 /nfs/dbraw/zinc/87/50/16/386875016.db2.gz HJXZMSLJEZWFSF-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCC1(CNC(=O)C(C)(C)c2cnc[nH]2)CCC1 ZINC000331614029 386875051 /nfs/dbraw/zinc/87/50/51/386875051.db2.gz PXMNOIOQNILKBF-UHFFFAOYSA-N 0 1 249.358 2.384 20 0 BEADMN CCCN(Cc1ncc(CC)o1)CC(C)(C)O ZINC000525275244 259699138 /nfs/dbraw/zinc/69/91/38/259699138.db2.gz ZGQIFABZFYJAGP-UHFFFAOYSA-N 0 1 240.347 2.220 20 0 BEADMN CC[C@@H](C)CONC(=O)c1cccc2nc[nH]c21 ZINC000293782006 386880418 /nfs/dbraw/zinc/88/04/18/386880418.db2.gz RQSDLZXOBRBTKA-SECBINFHSA-N 0 1 247.298 2.270 20 0 BEADMN CCc1nc(CN2CC[C@H](C)C3(CCC3)C2)n[nH]1 ZINC000335759434 386887936 /nfs/dbraw/zinc/88/79/36/386887936.db2.gz RFGPBAFWICLIFJ-NSHDSACASA-N 0 1 248.374 2.379 20 0 BEADMN C[C@H](C(=O)N(C)C)[N@H+]1CCCC2(CCCC2)C1 ZINC000335769449 386913633 /nfs/dbraw/zinc/91/36/33/386913633.db2.gz WLPGTBGZAUILRW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CCC[C@@H](Nc2ccncc2C(N)=O)[C@H]1C ZINC000302218490 386915564 /nfs/dbraw/zinc/91/55/64/386915564.db2.gz KXOGTTOPNXPZHO-JFGNBEQYSA-N 0 1 247.342 2.417 20 0 BEADMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)nn1C ZINC000425362017 386916159 /nfs/dbraw/zinc/91/61/59/386916159.db2.gz ZHGDXBJVIMRZBX-ZYHUDNBSSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1ccsc1CNc1ccncc1C(N)=O ZINC000302228271 386916416 /nfs/dbraw/zinc/91/64/16/386916416.db2.gz QUQMOUKAJDEOIH-UHFFFAOYSA-N 0 1 247.323 2.163 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1C[C@@H]1C ZINC000331854586 386916860 /nfs/dbraw/zinc/91/68/60/386916860.db2.gz HWURBYWTGBMYAL-WPRPVWTQSA-N 0 1 235.331 2.227 20 0 BEADMN CC(C)(O)CCSc1nc(C(C)(C)C)n[nH]1 ZINC000330837768 386901906 /nfs/dbraw/zinc/90/19/06/386901906.db2.gz UEKRDBZGDVQGNR-UHFFFAOYSA-N 0 1 243.376 2.355 20 0 BEADMN CC(C)(O)CCSc1n[nH]c(C(C)(C)C)n1 ZINC000330837768 386901910 /nfs/dbraw/zinc/90/19/10/386901910.db2.gz UEKRDBZGDVQGNR-UHFFFAOYSA-N 0 1 243.376 2.355 20 0 BEADMN CCc1ccc(NC(=O)N2CCN[C@@H](C)C2)cc1 ZINC000334852774 386902436 /nfs/dbraw/zinc/90/24/36/386902436.db2.gz AFRIWUTVYSFQRC-NSHDSACASA-N 0 1 247.342 2.075 20 0 BEADMN CCc1ccc(NC(=O)N2CCNC[C@@H]2C)cc1 ZINC000334855873 386906401 /nfs/dbraw/zinc/90/64/01/386906401.db2.gz XUKXCLZSCBEJRD-NSHDSACASA-N 0 1 247.342 2.075 20 0 BEADMN CC(C)[C@@H]1C[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000334855463 386906592 /nfs/dbraw/zinc/90/65/92/386906592.db2.gz XVILHBXRHPKZIR-IUCAKERBSA-N 0 1 221.304 2.167 20 0 BEADMN CCC1(CNc2ccncc2C(N)=O)CCC1 ZINC000302154574 386908143 /nfs/dbraw/zinc/90/81/43/386908143.db2.gz MXIMHLPBBHJXRB-UHFFFAOYSA-N 0 1 233.315 2.173 20 0 BEADMN CC(C)CC1(CNc2ccncc2C(N)=O)CC1 ZINC000302180461 386911187 /nfs/dbraw/zinc/91/11/87/386911187.db2.gz YFVKLLFQJXYDHJ-UHFFFAOYSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)C[C@@H]1C ZINC000335768592 386911626 /nfs/dbraw/zinc/91/16/26/386911626.db2.gz AHYSVUSUNXIKTL-IUCAKERBSA-N 0 1 233.315 2.015 20 0 BEADMN C[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1C ZINC000335768593 386912224 /nfs/dbraw/zinc/91/22/24/386912224.db2.gz AHYSVUSUNXIKTL-RKDXNWHRSA-N 0 1 233.315 2.015 20 0 BEADMN FC[C@@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000334861020 386913400 /nfs/dbraw/zinc/91/34/00/386913400.db2.gz ALHARXANTYVWKY-GFCCVEGCSA-N 0 1 248.301 2.338 20 0 BEADMN CC[C@@H](COC)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358246660 386920263 /nfs/dbraw/zinc/92/02/63/386920263.db2.gz KDTAVHBDLYJSRJ-UWVGGRQHSA-N 0 1 240.351 2.004 20 0 BEADMN c1nc2cnccn2c1CN1C[C@H]2CCCC[C@H]21 ZINC000367957949 386920951 /nfs/dbraw/zinc/92/09/51/386920951.db2.gz QVAZSSPVARDUPD-DGCLKSJQSA-N 0 1 242.326 2.104 20 0 BEADMN Cn1cnnc1[C@H]1CCCN1CC1(C)CCC1 ZINC000335775410 386923119 /nfs/dbraw/zinc/92/31/19/386923119.db2.gz CRBFTVXWQNVUIV-LLVKDONJSA-N 0 1 234.347 2.142 20 0 BEADMN c1ncn2c1CN(CC1CCCCC1)CC2 ZINC000335774950 386923371 /nfs/dbraw/zinc/92/33/71/386923371.db2.gz DDRNBXRXFHQWBN-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000341595694 386929761 /nfs/dbraw/zinc/92/97/61/386929761.db2.gz OREKMQIPOQSNEN-ZETCQYMHSA-N 0 1 247.273 2.230 20 0 BEADMN COc1ncncc1CN1CCC(C(C)C)CC1 ZINC000648010587 386930958 /nfs/dbraw/zinc/93/09/58/386930958.db2.gz JOFGHTXFOLZRCR-UHFFFAOYSA-N 0 1 249.358 2.353 20 0 BEADMN C[C@]1(c2nc(C3(N)CCC3)no2)CC=CCC1 ZINC000334869872 386931192 /nfs/dbraw/zinc/93/11/92/386931192.db2.gz PUPXGWQLLPAKKE-LBPRGKRZSA-N 0 1 233.315 2.405 20 0 BEADMN COc1ncncc1CN1C2CCCC1CCC2 ZINC000648010763 386931717 /nfs/dbraw/zinc/93/17/17/386931717.db2.gz RIOZAOFYWNVMNJ-UHFFFAOYSA-N 0 1 247.342 2.392 20 0 BEADMN CCCCCN(Cc1cn(C)nn1)C(C)C ZINC000341605103 386933804 /nfs/dbraw/zinc/93/38/04/386933804.db2.gz PJWFEDRPBPOUKX-UHFFFAOYSA-N 0 1 224.352 2.216 20 0 BEADMN CC(C)=CCN[C@H](C)c1cc(C)n(C)n1 ZINC000336763020 386935857 /nfs/dbraw/zinc/93/58/57/386935857.db2.gz OSLDSRWGTPSRPF-LLVKDONJSA-N 0 1 207.321 2.345 20 0 BEADMN Cc1cn[nH]c1CN[C@@H]1COc2ccc(C)cc21 ZINC000368073067 386936144 /nfs/dbraw/zinc/93/61/44/386936144.db2.gz QQVDHJUWGIVMGU-CYBMUJFWSA-N 0 1 243.310 2.250 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@](C)(CC)C1 ZINC000191419998 386947883 /nfs/dbraw/zinc/94/78/83/386947883.db2.gz XOLSZYWCPVURIU-CMPLNLGQSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cnc([C@@H](C)N2CCN(C(C)C)CC2)o1 ZINC000334878143 386940271 /nfs/dbraw/zinc/94/02/71/386940271.db2.gz XSNCVHNYZJJWBV-GFCCVEGCSA-N 0 1 237.347 2.070 20 0 BEADMN CC/C=C\CNCc1cc(OC)cc(C)n1 ZINC000395148286 386946242 /nfs/dbraw/zinc/94/62/42/386946242.db2.gz KITMRXQXMBZZRO-WAYWQWQTSA-N 0 1 220.316 2.454 20 0 BEADMN C[C@H](N[C@@H]1CC1(C)C)c1cc2n(n1)CCC2 ZINC000334821774 386952466 /nfs/dbraw/zinc/95/24/66/386952466.db2.gz BPSNRSGCJPIJDO-JOYOIKCWSA-N 0 1 219.332 2.278 20 0 BEADMN Cc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)nn1 ZINC000334825508 386956064 /nfs/dbraw/zinc/95/60/64/386956064.db2.gz MOGJLTPKVWULSD-PHIMTYICSA-N 0 1 237.372 2.111 20 0 BEADMN Fc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000366747131 386959598 /nfs/dbraw/zinc/95/95/98/386959598.db2.gz UEZJFKQHCTWNJK-GXTWGEPZSA-N 0 1 235.302 2.437 20 0 BEADMN CC(C)c1cc(C(=O)N2CC[C@@H]2C2CC2)n[nH]1 ZINC000334889249 386961855 /nfs/dbraw/zinc/96/18/55/386961855.db2.gz RFSMTISWWAMFDX-GFCCVEGCSA-N 0 1 233.315 2.158 20 0 BEADMN O=C(c1cccc2[nH]cnc21)N1CC[C@@H]1C1CC1 ZINC000334894482 386967365 /nfs/dbraw/zinc/96/73/65/386967365.db2.gz YRZDVGGLBWVSJD-GFCCVEGCSA-N 0 1 241.294 2.187 20 0 BEADMN CC[C@H]1CN(CCCCCF)CCO1 ZINC000341833736 386971008 /nfs/dbraw/zinc/97/10/08/386971008.db2.gz PXMADVNNUUYPBY-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN Cn1ccc(CN2CC(CC(F)F)C2)c1 ZINC000425364090 386972857 /nfs/dbraw/zinc/97/28/57/386972857.db2.gz DYVXVUANTGSYMZ-UHFFFAOYSA-N 0 1 214.259 2.112 20 0 BEADMN C[C@@H]1[C@H](C)[S@](=O)CCN1CCC(C)(C)C ZINC000341883124 386985854 /nfs/dbraw/zinc/98/58/54/386985854.db2.gz ACKAUMBTQUSOAO-JRPNMDOOSA-N 0 1 231.405 2.264 20 0 BEADMN CCCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368642427 386997107 /nfs/dbraw/zinc/99/71/07/386997107.db2.gz MJFWIXOTSHFTOC-STQMWFEESA-N 0 1 239.359 2.247 20 0 BEADMN Cc1nc(CN2C3CCC2CC3)oc1C ZINC000519066730 386998506 /nfs/dbraw/zinc/99/85/06/386998506.db2.gz NODVWSBXYQHIAX-UHFFFAOYSA-N 0 1 206.289 2.418 20 0 BEADMN Cc1c[nH]nc1CN1C[C@H]2CCCC[C@H]21 ZINC000368667519 387000165 /nfs/dbraw/zinc/00/01/65/387000165.db2.gz SFUPJTJRLRVDOA-ZYHUDNBSSA-N 0 1 205.305 2.093 20 0 BEADMN C(=C\c1ccccc1)\CN1CCc2n[nH]cc2C1 ZINC000514586454 387001988 /nfs/dbraw/zinc/00/19/88/387001988.db2.gz VEVVUSYZSPYCDD-DAXSKMNVSA-N 0 1 239.322 2.481 20 0 BEADMN Cc1c[nH]nc1CN1CC[C@@H](c2ccco2)C1 ZINC000368675748 387002709 /nfs/dbraw/zinc/00/27/09/387002709.db2.gz NSOJCJKHQOQEOF-LLVKDONJSA-N 0 1 231.299 2.301 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C)nn1C ZINC000334928312 387002930 /nfs/dbraw/zinc/00/29/30/387002930.db2.gz IGMMEIGPAFZTGK-NWDGAFQWSA-N 0 1 221.348 2.491 20 0 BEADMN Cc1cc(CN2CC(C3CCCC3)C2)n(C)n1 ZINC000334928018 387003865 /nfs/dbraw/zinc/00/38/65/387003865.db2.gz ZNHRFMJBHTVFGI-UHFFFAOYSA-N 0 1 233.359 2.351 20 0 BEADMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C)nn1C ZINC000334928311 387004055 /nfs/dbraw/zinc/00/40/55/387004055.db2.gz IGMMEIGPAFZTGK-NEPJUHHUSA-N 0 1 221.348 2.491 20 0 BEADMN CCCCCCN1CC[S@](=O)C[C@H](C)C1 ZINC000369337388 387038009 /nfs/dbraw/zinc/03/80/09/387038009.db2.gz CAGDQSKSWVVTEU-DOMZBBRYSA-N 0 1 231.405 2.267 20 0 BEADMN Cc1cccnc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334967015 387049007 /nfs/dbraw/zinc/04/90/07/387049007.db2.gz KPAKKKREXHHDCS-ZDUSSCGKSA-N 0 1 246.354 2.269 20 0 BEADMN Cc1ccncc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334967215 387049544 /nfs/dbraw/zinc/04/95/44/387049544.db2.gz NMOOCLRQHLZRSK-AWEZNQCLSA-N 0 1 246.354 2.269 20 0 BEADMN c1nc2ccc(NC[C@H]3CCCOC3)cc2[nH]1 ZINC000334966442 387049607 /nfs/dbraw/zinc/04/96/07/387049607.db2.gz VJLDOGKUQJADRR-SNVBAGLBSA-N 0 1 231.299 2.401 20 0 BEADMN CCC[C@@H](C(=O)OCC)N(C)CC1CCC1 ZINC000096867346 387055378 /nfs/dbraw/zinc/05/53/78/387055378.db2.gz GJQRHYNJOWMKPY-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN F[C@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000336222677 387062201 /nfs/dbraw/zinc/06/22/01/387062201.db2.gz BBKBISHNUXKNDI-ZDUSSCGKSA-N 0 1 245.301 2.416 20 0 BEADMN CCC[C@@H]1SCCN1C(=O)c1cc(C)[nH]n1 ZINC000118649014 387065365 /nfs/dbraw/zinc/06/53/65/387065365.db2.gz FVOSCSHSFMJHIM-JTQLQIEISA-N 0 1 239.344 2.033 20 0 BEADMN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1cc(C)on1 ZINC000514608556 387012825 /nfs/dbraw/zinc/01/28/25/387012825.db2.gz VZQLDPWTXITLER-GAFUQQFSSA-N 0 1 240.347 2.431 20 0 BEADMN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccncc1F ZINC000334937140 387014749 /nfs/dbraw/zinc/01/47/49/387014749.db2.gz VOEZJNVRXWRZDE-NXEZZACHSA-N 0 1 238.306 2.439 20 0 BEADMN C/C(Cl)=C\CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000528378693 387015821 /nfs/dbraw/zinc/01/58/21/387015821.db2.gz BALZGFKFCIZJIL-JNZVDCKRSA-N 0 1 239.750 2.352 20 0 BEADMN C[C@H](c1ccccc1)N(C)C(=O)c1cnc[nH]1 ZINC000334942330 387020304 /nfs/dbraw/zinc/02/03/04/387020304.db2.gz DFVLXZAMBYSIDY-SNVBAGLBSA-N 0 1 229.283 2.243 20 0 BEADMN C[C@H](CO)[C@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000358832764 387020411 /nfs/dbraw/zinc/02/04/11/387020411.db2.gz WOPVWENDSHXTBE-ZJUUUORDSA-N 0 1 240.347 2.079 20 0 BEADMN Cc1n[nH]c(C)c1CN1CC(CC(F)F)C1 ZINC000425365300 387022866 /nfs/dbraw/zinc/02/28/66/387022866.db2.gz JZRYXDSGYHAFNY-UHFFFAOYSA-N 0 1 229.274 2.114 20 0 BEADMN O=C([O-])c1coc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000228158035 387079199 /nfs/dbraw/zinc/07/91/99/387079199.db2.gz AEKYAJKOZQHRAF-UHFFFAOYSA-N 0 1 249.241 2.407 20 0 BEADMN CC(C)[C@@H]1N(Cc2ccnn2C)CC1(C)C ZINC000336243230 387080518 /nfs/dbraw/zinc/08/05/18/387080518.db2.gz UTJAOSWYNFTFOC-LBPRGKRZSA-N 0 1 221.348 2.287 20 0 BEADMN CCn1nncc1CN1CC(C)(C)[C@H]1C(C)C ZINC000418070104 387083239 /nfs/dbraw/zinc/08/32/39/387083239.db2.gz UDWQYVVNXAZNCJ-GFCCVEGCSA-N 0 1 236.363 2.164 20 0 BEADMN Cc1n[nH]cc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000335002967 387095475 /nfs/dbraw/zinc/09/54/75/387095475.db2.gz CQCRTSOGOYOIBE-SKDRFNHKSA-N 0 1 207.321 2.339 20 0 BEADMN CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000067704259 387096988 /nfs/dbraw/zinc/09/69/88/387096988.db2.gz ZVVJWWOKDPLSDE-CYBMUJFWSA-N 0 1 238.375 2.310 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000067704259 387096991 /nfs/dbraw/zinc/09/69/91/387096991.db2.gz ZVVJWWOKDPLSDE-CYBMUJFWSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@]1(F)CCCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC000336275548 387106800 /nfs/dbraw/zinc/10/68/00/387106800.db2.gz SNCNGRKZJOQVJY-GFCCVEGCSA-N 0 1 238.310 2.006 20 0 BEADMN Cc1cc(CN(C)[C@@H]2CC2(C)C)ncn1 ZINC000336276420 387108738 /nfs/dbraw/zinc/10/87/38/387108738.db2.gz XOFKIPXANNVUMK-LLVKDONJSA-N 0 1 205.305 2.015 20 0 BEADMN CSc1ccccc1C(=O)Nc1nnc(C)[nH]1 ZINC000112702497 387109736 /nfs/dbraw/zinc/10/97/36/387109736.db2.gz NAOQZTJGMIZTIT-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN CSc1ccccc1C(=O)Nc1nc(C)n[nH]1 ZINC000112702497 387109742 /nfs/dbraw/zinc/10/97/42/387109742.db2.gz NAOQZTJGMIZTIT-UHFFFAOYSA-N 0 1 248.311 2.087 20 0 BEADMN O[C@H]1CN(Cc2ccc(Cl)cc2)CC12CC2 ZINC000334948329 387110369 /nfs/dbraw/zinc/11/03/69/387110369.db2.gz JKEHXULYYJPWOJ-LBPRGKRZSA-N 0 1 237.730 2.297 20 0 BEADMN C[C@H](c1cccc(Cl)c1F)N(C)CCO ZINC000186599236 387112043 /nfs/dbraw/zinc/11/20/43/387112043.db2.gz JJXPTKOZGNACFA-MRVPVSSYSA-N 0 1 231.698 2.464 20 0 BEADMN CCCN(C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000069092012 387112720 /nfs/dbraw/zinc/11/27/20/387112720.db2.gz ZMAVIPUEJZYQAT-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN Cc1nnc(CN2[C@@H](C)CCC2(C)C)o1 ZINC000336303169 387132011 /nfs/dbraw/zinc/13/20/11/387132011.db2.gz UWFSWLBTXIEKAB-QMMMGPOBSA-N 0 1 209.293 2.141 20 0 BEADMN Cc1cc(CN2CCSC[C@H]2C2CC2)ncn1 ZINC000336291509 387121600 /nfs/dbraw/zinc/12/16/00/387121600.db2.gz GBDUYJFNCFTCRC-ZDUSSCGKSA-N 0 1 249.383 2.112 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1C(=O)c1coc(CN)c1 ZINC000335029103 387123097 /nfs/dbraw/zinc/12/30/97/387123097.db2.gz MWWBRPAQROFCBW-KOLCDFICSA-N 0 1 236.315 2.141 20 0 BEADMN CC[C@H](F)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000571888842 387194126 /nfs/dbraw/zinc/19/41/26/387194126.db2.gz UJWFODKHDBTRES-BJDJZHNGSA-N 0 1 243.322 2.452 20 0 BEADMN Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cn1 ZINC000418125392 387150922 /nfs/dbraw/zinc/15/09/22/387150922.db2.gz JFJJQJBWGSQVKS-DLOVCJGASA-N 0 1 219.332 2.261 20 0 BEADMN CCn1nnc(C)c1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000418125197 387151184 /nfs/dbraw/zinc/15/11/84/387151184.db2.gz NGMUUEMZABYBNK-UMNHJUIQSA-N 0 1 236.363 2.083 20 0 BEADMN Cc1csc(C(C)(C)NC[C@@H](O)C(C)C)n1 ZINC000284124446 387151866 /nfs/dbraw/zinc/15/18/66/387151866.db2.gz UJWGNONHJVEJBL-SNVBAGLBSA-N 0 1 242.388 2.293 20 0 BEADMN CC1(C)CC[C@H](CN2CCOC[C@@H]2C2CC2)O1 ZINC000187374192 387192886 /nfs/dbraw/zinc/19/28/86/387192886.db2.gz XYOWNPAXFULRQV-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN COc1c2ccccc2oc1CN[C@H]1CCOC1 ZINC000353211458 387158192 /nfs/dbraw/zinc/15/81/92/387158192.db2.gz TUAQHHDQAOTSRJ-JTQLQIEISA-N 0 1 247.294 2.320 20 0 BEADMN CO[C@H](CN[C@H](C)c1cc(C)on1)C(C)C ZINC000284242720 387163739 /nfs/dbraw/zinc/16/37/39/387163739.db2.gz VFOISMHHUZVNHW-ZYHUDNBSSA-N 0 1 226.320 2.305 20 0 BEADMN CC[C@H](NC(=O)CN1CC[C@@H](C)C1)C(C)(C)C ZINC000571774751 387168384 /nfs/dbraw/zinc/16/83/84/387168384.db2.gz RKTRXFJRUXJYAP-NEPJUHHUSA-N 0 1 240.391 2.269 20 0 BEADMN CO[C@@H]1C[C@@H](N[C@H](C)c2cc(C)on2)C1(C)C ZINC000353280088 387170245 /nfs/dbraw/zinc/17/02/45/387170245.db2.gz ZTIMUTCVMQGIKE-YUSALJHKSA-N 0 1 238.331 2.447 20 0 BEADMN CCN(CC(=O)OC)CC1CCCCCC1 ZINC000353290636 387174686 /nfs/dbraw/zinc/17/46/86/387174686.db2.gz WPWZZOOOVDTSJW-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN Cc1cnc(CN2CC[C@@H]3CCC[C@H]32)nc1 ZINC000336346028 387175098 /nfs/dbraw/zinc/17/50/98/387175098.db2.gz CMVRRKVRICXZAU-NWDGAFQWSA-N 0 1 217.316 2.159 20 0 BEADMN CCC[C@H](NCC(F)(F)CN)C1CCC1 ZINC000423330510 387175955 /nfs/dbraw/zinc/17/59/55/387175955.db2.gz BZRFMGVVTDQGRH-JTQLQIEISA-N 0 1 220.307 2.139 20 0 BEADMN CC(C)[N@H+](CC(=O)N(C)C1CC1)CC1CCC1 ZINC000193201640 387178777 /nfs/dbraw/zinc/17/87/77/387178777.db2.gz LPRJEEWEBBWXPY-UHFFFAOYSA-N 0 1 238.375 2.118 20 0 BEADMN Fc1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000187399030 387193780 /nfs/dbraw/zinc/19/37/80/387193780.db2.gz UWHZTSNWQHSWDL-UHFFFAOYSA-N 0 1 232.262 2.433 20 0 BEADMN CCC[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000187355144 387182128 /nfs/dbraw/zinc/18/21/28/387182128.db2.gz WYVNNQSNRWZBNN-OLZOCXBDSA-N 0 1 241.375 2.445 20 0 BEADMN CCc1nnc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000193227787 387182464 /nfs/dbraw/zinc/18/24/64/387182464.db2.gz KRACZDNLXZUUEP-NXEZZACHSA-N 0 1 223.320 2.300 20 0 BEADMN Cc1nnc(SCCN2CCCCC2)s1 ZINC000120190210 387194182 /nfs/dbraw/zinc/19/41/82/387194182.db2.gz LVMDTTBMMKOLFR-UHFFFAOYSA-N 0 1 243.401 2.425 20 0 BEADMN CC(C)[C@H]1CCN1C(=O)c1cnccc1N(C)C ZINC000336355506 387184951 /nfs/dbraw/zinc/18/49/51/387184951.db2.gz SPXBPABCDSUPEZ-GFCCVEGCSA-N 0 1 247.342 2.018 20 0 BEADMN COC(=O)c1occc1CN1CC[C@@H](C2CC2)C1 ZINC000371308792 387188633 /nfs/dbraw/zinc/18/86/33/387188633.db2.gz RZUOLTUCZMSNNE-LLVKDONJSA-N 0 1 249.310 2.298 20 0 BEADMN NCC(F)(F)CNC(C1CCC1)C1CCC1 ZINC000423340365 387189523 /nfs/dbraw/zinc/18/95/23/387189523.db2.gz JKZPXWGSDBNIEL-UHFFFAOYSA-N 0 1 232.318 2.139 20 0 BEADMN NCC(F)(F)CN[C@@H](C1CC1)C1CCCC1 ZINC000423343590 387191860 /nfs/dbraw/zinc/19/18/60/387191860.db2.gz MBDDRCSSAYCKKC-LLVKDONJSA-N 0 1 232.318 2.139 20 0 BEADMN Cc1noc(CN2[C@H](C)CCC2(C)C)n1 ZINC000336304163 387133629 /nfs/dbraw/zinc/13/36/29/387133629.db2.gz YYXFGKMHKGBDRZ-MRVPVSSYSA-N 0 1 209.293 2.141 20 0 BEADMN CCCc1cccc(CN2CC(C)(CO)C2)c1 ZINC000459620506 387135014 /nfs/dbraw/zinc/13/50/14/387135014.db2.gz MATGIPUJLBFHFS-UHFFFAOYSA-N 0 1 233.355 2.453 20 0 BEADMN Cc1cc(CN2CCSC[C@@H]2C2CC2)on1 ZINC000336307573 387135591 /nfs/dbraw/zinc/13/55/91/387135591.db2.gz TYLSURWJPVGLBY-GFCCVEGCSA-N 0 1 238.356 2.310 20 0 BEADMN Cc1n[nH]c(C(=O)NC2C(C)(C)C2(C)C)c1C ZINC000359633936 387138704 /nfs/dbraw/zinc/13/87/04/387138704.db2.gz LXHKULUFICLOJF-UHFFFAOYSA-N 0 1 235.331 2.191 20 0 BEADMN Cc1ccc(CCCN2CCOC[C@H]2C)cn1 ZINC000353442581 387202977 /nfs/dbraw/zinc/20/29/77/387202977.db2.gz BDHMQTJYRDEGLX-CYBMUJFWSA-N 0 1 234.343 2.043 20 0 BEADMN CCN(Cc1cc(OC)ccc1F)C[C@H](C)O ZINC000353463411 387206723 /nfs/dbraw/zinc/20/67/23/387206723.db2.gz RHPLCHNAHHAGPN-JTQLQIEISA-N 0 1 241.306 2.037 20 0 BEADMN CC[C@@H](O)CNCc1c(Cl)cccc1OC ZINC000229963085 387208310 /nfs/dbraw/zinc/20/83/10/387208310.db2.gz VIQGBJBKAODOHF-SECBINFHSA-N 0 1 243.734 2.209 20 0 BEADMN CC(C)C[C@@H]1COCCN1CCOC(C)C ZINC000113941465 387209730 /nfs/dbraw/zinc/20/97/30/387209730.db2.gz SJHYWQCBQGYGDN-CYBMUJFWSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)C[C@H]1COCCN1CCOC(C)C ZINC000113941468 387210446 /nfs/dbraw/zinc/21/04/46/387210446.db2.gz SJHYWQCBQGYGDN-ZDUSSCGKSA-N 0 1 229.364 2.158 20 0 BEADMN CC(C)(C)c1nc(CN2C3CCC2CC3)n[nH]1 ZINC000571979060 387211566 /nfs/dbraw/zinc/21/15/66/387211566.db2.gz JLIBDUCHFYSZOO-UHFFFAOYSA-N 0 1 234.347 2.229 20 0 BEADMN CN(Cc1nc2ccccc2o1)CC1(O)CCC1 ZINC000353485825 387213389 /nfs/dbraw/zinc/21/33/89/387213389.db2.gz VITQHCXDKIOCCN-UHFFFAOYSA-N 0 1 246.310 2.175 20 0 BEADMN CCCCOCCN1C[C@@H](C)OC2(CCC2)C1 ZINC000572032682 387222130 /nfs/dbraw/zinc/22/21/30/387222130.db2.gz XSTFILIOBLURLS-CYBMUJFWSA-N 0 1 241.375 2.447 20 0 BEADMN c1ccc([C@H]2CN(C[C@H]3CCOC3)CCO2)cc1 ZINC000336399478 387227701 /nfs/dbraw/zinc/22/77/01/387227701.db2.gz AZRJAYKURJMAPI-UKRRQHHQSA-N 0 1 247.338 2.096 20 0 BEADMN Cc1cncc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000572048740 387228223 /nfs/dbraw/zinc/22/82/23/387228223.db2.gz GMPZOABNBNTTNE-LLVKDONJSA-N 0 1 248.326 2.075 20 0 BEADMN CCN(Cc1ccc(Cl)cn1)[C@@H]1CCOC1 ZINC000572088652 387230412 /nfs/dbraw/zinc/23/04/12/387230412.db2.gz PLGDTWYOXIUXFO-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN CCC[C@H]1C[C@H]1C(=O)NCCCc1cn[nH]c1C ZINC000360139610 387231878 /nfs/dbraw/zinc/23/18/78/387231878.db2.gz DKKPHNJNERWDSO-WCQYABFASA-N 0 1 249.358 2.203 20 0 BEADMN Cc1ccnc(NC[C@H]2CCC[C@@H](O)C2)c1 ZINC000230148191 387234375 /nfs/dbraw/zinc/23/43/75/387234375.db2.gz VVLDKGNWTJMMKT-NWDGAFQWSA-N 0 1 220.316 2.353 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1ccccc1Cl ZINC000353584439 387235297 /nfs/dbraw/zinc/23/52/97/387235297.db2.gz GTTBRPIGFPPGBX-NSHDSACASA-N 0 1 238.762 2.476 20 0 BEADMN Cc1nc(CN[C@@]2(C)CCO[C@@H]2C)cs1 ZINC000230154578 387235554 /nfs/dbraw/zinc/23/55/54/387235554.db2.gz MFDAWKOHIQJUEJ-KCJUWKMLSA-N 0 1 226.345 2.109 20 0 BEADMN C[C@H]1CN(C)CCN1Cc1cc(F)cc(F)c1 ZINC000353583096 387236393 /nfs/dbraw/zinc/23/63/93/387236393.db2.gz AARUFMYQQIAOFK-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN CC(C)CC[C@@H](O)CNCc1ncccc1F ZINC000572112276 387237004 /nfs/dbraw/zinc/23/70/04/387237004.db2.gz AUEPUQQEFUUORT-LLVKDONJSA-N 0 1 240.322 2.107 20 0 BEADMN CCc1nc(CN[C@@]2(C)CCO[C@H]2C)cs1 ZINC000230155938 387237220 /nfs/dbraw/zinc/23/72/20/387237220.db2.gz WQHPHZSDOZSYSG-CABZTGNLSA-N 0 1 240.372 2.363 20 0 BEADMN Cc1cc(CCN[C@@H](C)c2cc(C)on2)on1 ZINC000353592355 387239248 /nfs/dbraw/zinc/23/92/48/387239248.db2.gz ALOHQAGAFJJQFI-JTQLQIEISA-N 0 1 235.287 2.173 20 0 BEADMN CO[C@H](C)CN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000360214971 387245925 /nfs/dbraw/zinc/24/59/25/387245925.db2.gz YIXIVSWHTKQOLD-UMVBOHGHSA-N 0 1 249.354 2.483 20 0 BEADMN Cc1ccc(CCCN2CCO[C@H](C)[C@H]2C)cn1 ZINC000353646035 387248240 /nfs/dbraw/zinc/24/82/40/387248240.db2.gz BJZBIWVUAQBEJY-ZIAGYGMSSA-N 0 1 248.370 2.432 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NCC(F)(F)CN)C1 ZINC000423345050 387194719 /nfs/dbraw/zinc/19/47/19/387194719.db2.gz NNASVTGDCXIYOK-QWRGUYRKSA-N 0 1 234.334 2.385 20 0 BEADMN CC(C)n1cc(CN2C[C@@H](C)C[C@H]2C)nn1 ZINC000336366572 387196409 /nfs/dbraw/zinc/19/64/09/387196409.db2.gz HZHDKOUEBMGTDY-WDEREUQCSA-N 0 1 222.336 2.089 20 0 BEADMN C[C@@H](NCC(F)(F)CN)[C@@H]1CCCC[C@H]1C ZINC000423347785 387197015 /nfs/dbraw/zinc/19/70/15/387197015.db2.gz RCQBTSIIPPRAHH-GMTAPVOTSA-N 0 1 234.334 2.385 20 0 BEADMN NCC(F)(F)CN[C@H]1CCC[C@@H]1CCCF ZINC000423346692 387198213 /nfs/dbraw/zinc/19/82/13/387198213.db2.gz PKEAFMHTWURUOP-ZJUUUORDSA-N 0 1 238.297 2.088 20 0 BEADMN NCC(F)(F)CN[C@H]1CCCC12CCCC2 ZINC000423349836 387199812 /nfs/dbraw/zinc/19/98/12/387199812.db2.gz XTISCZKRHNZZST-JTQLQIEISA-N 0 1 232.318 2.283 20 0 BEADMN CCC(CC)[C@@H](O)CN[C@@H](C)c1cc(C)on1 ZINC000353425408 387200215 /nfs/dbraw/zinc/20/02/15/387200215.db2.gz JPSMVNRWWUTEOW-GWCFXTLKSA-N 0 1 240.347 2.431 20 0 BEADMN COC(=O)[C@@H]1C[C@H](C)CCN1[C@H]1C=CCCC1 ZINC000360556176 387309894 /nfs/dbraw/zinc/30/98/94/387309894.db2.gz HCDMKXOKRZUXAB-AGIUHOORSA-N 0 1 237.343 2.369 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CC1CCC1 ZINC000162082801 387314553 /nfs/dbraw/zinc/31/45/53/387314553.db2.gz VGTOPYLLRSLAGW-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)CSCCC[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000572168804 387254477 /nfs/dbraw/zinc/25/44/77/387254477.db2.gz MBKPVXZBTJPXNS-JTQLQIEISA-N 0 1 233.377 2.171 20 0 BEADMN Cc1cnn(C)c1CN[C@@H]1CCCc2occc21 ZINC000285487058 387268698 /nfs/dbraw/zinc/26/86/98/387268698.db2.gz PALDELWXFUMCFQ-GFCCVEGCSA-N 0 1 245.326 2.489 20 0 BEADMN CCC[C@H]1CCCN(CC(=O)OCC)C1 ZINC000120899548 387278452 /nfs/dbraw/zinc/27/84/52/387278452.db2.gz AOBNWAMIDUXZDX-NSHDSACASA-N 0 1 213.321 2.062 20 0 BEADMN Cc1ccc(CN2CCCO[C@@H](C)C2)cn1 ZINC000336450983 387279590 /nfs/dbraw/zinc/27/95/90/387279590.db2.gz HJSVOYHRBVMMBE-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN CSc1cccc(F)c1CN[C@H]1CCOC1 ZINC000285761621 387283508 /nfs/dbraw/zinc/28/35/08/387283508.db2.gz ZKXFZGUPOLWYNN-VIFPVBQESA-N 0 1 241.331 2.426 20 0 BEADMN Cc1nc(CN(C)Cc2ccc(F)c(C)c2)n[nH]1 ZINC000353856436 387284540 /nfs/dbraw/zinc/28/45/40/387284540.db2.gz BICDRGAPIHXVNZ-UHFFFAOYSA-N 0 1 248.305 2.193 20 0 BEADMN Cc1ccc(CNC2CC(F)(F)C2)o1 ZINC000306544631 387287710 /nfs/dbraw/zinc/28/77/10/387287710.db2.gz VIZWHTPZJGRLDM-UHFFFAOYSA-N 0 1 201.216 2.475 20 0 BEADMN CC/C=C\CC[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000514791254 387291790 /nfs/dbraw/zinc/29/17/90/387291790.db2.gz KMJUQGJQFPOPCX-DLRQAJBASA-N 0 1 211.305 2.282 20 0 BEADMN Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](C)C2)c1C ZINC000336462326 387292228 /nfs/dbraw/zinc/29/22/28/387292228.db2.gz SVWFRZLIMYGRNH-KCJUWKMLSA-N 0 1 235.331 2.193 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc(F)cc1C ZINC000063701577 387300742 /nfs/dbraw/zinc/30/07/42/387300742.db2.gz AZELZKJNDJTLOL-UHFFFAOYSA-N 0 1 238.306 2.414 20 0 BEADMN CC[C@@H](F)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000514867333 387303439 /nfs/dbraw/zinc/30/34/39/387303439.db2.gz UWMLUBHBRBLJAX-SECBINFHSA-N 0 1 243.278 2.466 20 0 BEADMN CC[C@@H](F)C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000514867333 387303443 /nfs/dbraw/zinc/30/34/43/387303443.db2.gz UWMLUBHBRBLJAX-SECBINFHSA-N 0 1 243.278 2.466 20 0 BEADMN CCCCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360541572 387306800 /nfs/dbraw/zinc/30/68/00/387306800.db2.gz GVTBDYUDZVVUPV-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCC[C@@H]1CNCCN1C(=O)[C@@H](C)[C@H](C)CC ZINC000423518703 387354088 /nfs/dbraw/zinc/35/40/88/387354088.db2.gz PGROSUIYQUUABR-FRRDWIJNSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1c(CN2CCCc3occc3C2)cnn1C ZINC000336533985 387354930 /nfs/dbraw/zinc/35/49/30/387354930.db2.gz XWVGOMHBJKOTLZ-UHFFFAOYSA-N 0 1 245.326 2.270 20 0 BEADMN CCC[C@H]1CNCCN1C(=O)C[C@@H](C)CC ZINC000423525752 387356727 /nfs/dbraw/zinc/35/67/27/387356727.db2.gz YNWCADIMUJLOAS-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN CN(Cc1cnccn1)C1CC(OC(C)(C)C)C1 ZINC000360883334 387361960 /nfs/dbraw/zinc/36/19/60/387361960.db2.gz MYWAHMUSIUWCHD-UHFFFAOYSA-N 0 1 249.358 2.255 20 0 BEADMN COc1nccnc1CN1CCC(C2CC2)CC1 ZINC000648592446 387363560 /nfs/dbraw/zinc/36/35/60/387363560.db2.gz FMORNSOONHFQQP-UHFFFAOYSA-N 0 1 247.342 2.107 20 0 BEADMN Cc1ccnc(CN2CCCC[C@H](C)C2)n1 ZINC000336544597 387365473 /nfs/dbraw/zinc/36/54/73/387365473.db2.gz XTBIGWPGOSMHQS-NSHDSACASA-N 0 1 219.332 2.407 20 0 BEADMN Cc1cc(C)cc(CN(C)[C@H]2CCCNC2=O)c1 ZINC000336543918 387366223 /nfs/dbraw/zinc/36/62/23/387366223.db2.gz FKLUXFMYZIKXSI-AWEZNQCLSA-N 0 1 246.354 2.014 20 0 BEADMN Cc1ccnc(CN2CC[C@@H](C(C)C)C2)n1 ZINC000336553086 387374785 /nfs/dbraw/zinc/37/47/85/387374785.db2.gz JMLPVOAEFKWVOL-GFCCVEGCSA-N 0 1 219.332 2.263 20 0 BEADMN CN(Cc1ccno1)CC1(O)CCCCCC1 ZINC000373514701 387377252 /nfs/dbraw/zinc/37/72/52/387377252.db2.gz HHUMDGDLZAXSRZ-UHFFFAOYSA-N 0 1 238.331 2.192 20 0 BEADMN C[C@H](NCc1nccc(C(F)F)n1)C1CC1 ZINC000287146931 387379104 /nfs/dbraw/zinc/37/91/04/387379104.db2.gz SOVFGIXSJRSBOL-ZETCQYMHSA-N 0 1 227.258 2.302 20 0 BEADMN CC[C@H]1C[C@@H](Nc2ccc3nn[nH]c3c2)CCO1 ZINC000648482509 387382300 /nfs/dbraw/zinc/38/23/00/387382300.db2.gz XAZRYIOPDCIKFN-QWRGUYRKSA-N 0 1 246.314 2.327 20 0 BEADMN CC[C@H]1C[C@@H](Nc2ccc3n[nH]nc3c2)CCO1 ZINC000648482509 387382303 /nfs/dbraw/zinc/38/23/03/387382303.db2.gz XAZRYIOPDCIKFN-QWRGUYRKSA-N 0 1 246.314 2.327 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H]1c1cccnc1 ZINC000336557983 387382551 /nfs/dbraw/zinc/38/25/51/387382551.db2.gz UBEPSQGQFGVSLV-CQSZACIVSA-N 0 1 242.326 2.450 20 0 BEADMN Cc1ccnc(NC[C@H]2CCOC[C@H]2C)c1 ZINC000286225537 387324557 /nfs/dbraw/zinc/32/45/57/387324557.db2.gz CJHQUNLPMDOPAS-VXGBXAGGSA-N 0 1 220.316 2.475 20 0 BEADMN CSC[C@H](O)CNc1ccc2cnccc2c1 ZINC000515054634 387326098 /nfs/dbraw/zinc/32/60/98/387326098.db2.gz DZDYHRWPLLXGGH-CYBMUJFWSA-N 0 1 248.351 2.371 20 0 BEADMN Cc1cnn(C)c1CN[C@H](C)c1cccc(O)c1 ZINC000286594521 387331870 /nfs/dbraw/zinc/33/18/70/387331870.db2.gz QUGJRGZMZDDZOT-LLVKDONJSA-N 0 1 245.326 2.285 20 0 BEADMN CCCn1c(C)nnc1CN1CCC[C@@H]1C1CC1 ZINC000372856859 387332503 /nfs/dbraw/zinc/33/25/03/387332503.db2.gz NNAXCNWLXUAYLH-CYBMUJFWSA-N 0 1 248.374 2.371 20 0 BEADMN CN(Cc1ccccc1Cl)C1CC(O)C1 ZINC000336513420 387337602 /nfs/dbraw/zinc/33/76/02/387337602.db2.gz AQIWYCISCWOSBO-UHFFFAOYSA-N 0 1 225.719 2.295 20 0 BEADMN Cc1ccc(CN2CCC(O)(C(F)F)CC2)o1 ZINC000336516052 387339055 /nfs/dbraw/zinc/33/90/55/387339055.db2.gz IDJHJFNOMLKAIC-UHFFFAOYSA-N 0 1 245.269 2.180 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@H]2C)[nH]1 ZINC000336515367 387340013 /nfs/dbraw/zinc/34/00/13/387340013.db2.gz MOQKYTIDFLRFKF-KOLCDFICSA-N 0 1 222.336 2.124 20 0 BEADMN Cc1nnc(CN(C)[C@H]2CCCC[C@@H]2C)[nH]1 ZINC000336515369 387340064 /nfs/dbraw/zinc/34/00/64/387340064.db2.gz MOQKYTIDFLRFKF-ONGXEEELSA-N 0 1 222.336 2.124 20 0 BEADMN CC(C)CCCN1CC[S@@](=O)C[C@H](C)C1 ZINC000373036574 387342323 /nfs/dbraw/zinc/34/23/23/387342323.db2.gz RWMYPILXFAUSRE-IUODEOHRSA-N 0 1 231.405 2.123 20 0 BEADMN Cc1cn[nH]c1CN1CCOC[C@@H]1CC1CCC1 ZINC000354734604 387424409 /nfs/dbraw/zinc/42/44/09/387424409.db2.gz QYYJAYDAKJBRDW-ZDUSSCGKSA-N 0 1 249.358 2.109 20 0 BEADMN CCN(CC(=O)OC)C[C@H]1CCCC(F)(F)C1 ZINC000304158379 387442698 /nfs/dbraw/zinc/44/26/98/387442698.db2.gz ALDSSRRFXZFJDJ-JTQLQIEISA-N 0 1 249.301 2.307 20 0 BEADMN Cc1csc(C[N@H+]2CCC23CCOCC3)n1 ZINC000374370053 387448766 /nfs/dbraw/zinc/44/87/66/387448766.db2.gz ZYHPEGNEHISLPT-UHFFFAOYSA-N 0 1 238.356 2.206 20 0 BEADMN Cc1csc(CN2CCC23CCOCC3)n1 ZINC000374370053 387448771 /nfs/dbraw/zinc/44/87/71/387448771.db2.gz ZYHPEGNEHISLPT-UHFFFAOYSA-N 0 1 238.356 2.206 20 0 BEADMN CCc1cc(C(=O)N(CC)CCC2CC2)n[nH]1 ZINC000354957946 387453177 /nfs/dbraw/zinc/45/31/77/387453177.db2.gz KTAPUMSNWMDFPJ-UHFFFAOYSA-N 0 1 235.331 2.234 20 0 BEADMN Cc1ccncc1CN(C)C[C@@H]1CC[C@H](C)O1 ZINC000361413469 387457072 /nfs/dbraw/zinc/45/70/72/387457072.db2.gz QFBCAFOLZNDCQL-JSGCOSHPSA-N 0 1 234.343 2.389 20 0 BEADMN CC[C@]1(O)CCN(c2ccnc(C)c2Cl)C1 ZINC000336561140 387386415 /nfs/dbraw/zinc/38/64/15/387386415.db2.gz YCTRTWSUVHZNFA-LBPRGKRZSA-N 0 1 240.734 2.395 20 0 BEADMN Cc1nsc(NCC2Cc3ccccc3C2)n1 ZINC000361021544 387390734 /nfs/dbraw/zinc/39/07/34/387390734.db2.gz GZJVNCIOJKOXQB-UHFFFAOYSA-N 0 1 245.351 2.095 20 0 BEADMN CC(C)c1cc(NC2CCC2)nc(N(C)C)n1 ZINC000361023064 387392445 /nfs/dbraw/zinc/39/24/45/387392445.db2.gz ROSLTAUYJJURQS-UHFFFAOYSA-N 0 1 234.347 2.052 20 0 BEADMN CCc1cccc(F)c1CN[C@@H]1C=C[C@H](CO)C1 ZINC000354564279 387396403 /nfs/dbraw/zinc/39/64/03/387396403.db2.gz FVUFFEHTISVESB-WCQYABFASA-N 0 1 249.329 2.415 20 0 BEADMN CCc1cccc(F)c1CN[C@H]1C=C[C@@H](CO)C1 ZINC000354564280 387396550 /nfs/dbraw/zinc/39/65/50/387396550.db2.gz FVUFFEHTISVESB-YPMHNXCESA-N 0 1 249.329 2.415 20 0 BEADMN COC(=O)[C@H](C)N(C)C[C@H]1CCCC[C@H]1C ZINC000361193682 387414599 /nfs/dbraw/zinc/41/45/99/387414599.db2.gz ILUFZNGXSRZENI-GRYCIOLGSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)n[nH]1 ZINC000354696832 387417864 /nfs/dbraw/zinc/41/78/64/387417864.db2.gz DAICYPBLWPFPQZ-YWVKMMECSA-N 0 1 235.331 2.225 20 0 BEADMN CCSCCN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354709069 387418550 /nfs/dbraw/zinc/41/85/50/387418550.db2.gz PTSOBIURDVZKTF-CHWSQXEVSA-N 0 1 241.400 2.383 20 0 BEADMN CN(Cc1ccoc1)Cc1ccn(C)c1 ZINC000352655762 387419641 /nfs/dbraw/zinc/41/96/41/387419641.db2.gz VSCOLTBJLVCMRS-UHFFFAOYSA-N 0 1 204.273 2.250 20 0 BEADMN Cc1nc(CN2CCCC[C@H]2[C@H](C)O)oc1C ZINC000303986847 387419683 /nfs/dbraw/zinc/41/96/83/387419683.db2.gz IYFVUPYOCDLRAI-JQWIXIFHSA-N 0 1 238.331 2.027 20 0 BEADMN COc1ccc(CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000374093145 387420029 /nfs/dbraw/zinc/42/00/29/387420029.db2.gz LTYMQJHZWGTMNJ-GASCZTMLSA-N 0 1 247.338 2.101 20 0 BEADMN CN(CCc1ccccc1F)Cc1ccnn1C ZINC000352657827 387422439 /nfs/dbraw/zinc/42/24/39/387422439.db2.gz HGJFAWRFQMEINR-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN CCN(Cc1ccn(C(C)C)n1)CC(C)(C)O ZINC000083683426 387423092 /nfs/dbraw/zinc/42/30/92/387423092.db2.gz WKYZPQCMYXYBJI-UHFFFAOYSA-N 0 1 239.363 2.057 20 0 BEADMN CC[C@@H]1CN(CCc2cccc(C)n2)C[C@@H](C)O1 ZINC000516282213 387494950 /nfs/dbraw/zinc/49/49/50/387494950.db2.gz HKAXKTLKEMBMTD-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC[C@H]1COCCN1CCN(C)c1ccccc1 ZINC000085820023 387502961 /nfs/dbraw/zinc/50/29/61/387502961.db2.gz PEVNQKGXEHCVIW-AWEZNQCLSA-N 0 1 248.370 2.234 20 0 BEADMN Cc1[nH]ncc1CNC(=O)CC(C)(C)C1CC1 ZINC000292754297 387510353 /nfs/dbraw/zinc/51/03/53/387510353.db2.gz JWAGWFCCDVUUSP-UHFFFAOYSA-N 0 1 235.331 2.161 20 0 BEADMN CCN(CCCC1CCCC1)CC(=O)OC ZINC000361620797 387510484 /nfs/dbraw/zinc/51/04/84/387510484.db2.gz GRLHDNDSMLXCNR-UHFFFAOYSA-N 0 1 227.348 2.452 20 0 BEADMN Cc1cc(CNCCOCC2CCCC2)on1 ZINC000313252029 387511891 /nfs/dbraw/zinc/51/18/91/387511891.db2.gz MPWSLAQJVOFTOK-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCCCC(F)(F)F ZINC000361628258 387513644 /nfs/dbraw/zinc/51/36/44/387513644.db2.gz HKSROCGSSBELBQ-MRVPVSSYSA-N 0 1 241.253 2.212 20 0 BEADMN COC(=O)[C@@H](C)N(C)CCC1CCCC1 ZINC000361634361 387513794 /nfs/dbraw/zinc/51/37/94/387513794.db2.gz AUZQOJQOYDSIHY-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(CN2C[C@H](O)C3(CC3)C2)o1 ZINC000375285974 387522138 /nfs/dbraw/zinc/52/21/38/387522138.db2.gz GTHSCHGWCQNNQF-QKCSRTOESA-N 0 1 247.338 2.360 20 0 BEADMN Cc1nc(CN[C@H]2CSC[C@@H]2C)cs1 ZINC000307551767 387528773 /nfs/dbraw/zinc/52/87/73/387528773.db2.gz ZJSYEHDNSRORDG-XVKPBYJWSA-N 0 1 228.386 2.293 20 0 BEADMN Cc1nc(CN[C@@H]2CSC[C@@H]2C)cs1 ZINC000307551763 387529072 /nfs/dbraw/zinc/52/90/72/387529072.db2.gz ZJSYEHDNSRORDG-OIBJUYFYSA-N 0 1 228.386 2.293 20 0 BEADMN CO[C@H](C)[C@@H](C)NCc1nccn1CC(C)C ZINC000361765958 387531043 /nfs/dbraw/zinc/53/10/43/387531043.db2.gz MDWFOJBVVBWFHD-VXGBXAGGSA-N 0 1 239.363 2.052 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1cccc(C)c1F ZINC000310070528 387534289 /nfs/dbraw/zinc/53/42/89/387534289.db2.gz UYRSYOWFBNMHRN-UHFFFAOYSA-N 0 1 233.246 2.418 20 0 BEADMN C[C@H](NC(=O)CN(C)C)c1ccc(Cl)cc1 ZINC000192786678 387534472 /nfs/dbraw/zinc/53/44/72/387534472.db2.gz PZXSNLVGMWVDLF-VIFPVBQESA-N 0 1 240.734 2.079 20 0 BEADMN CC(C)n1nccc1CN1CCC1(C)C ZINC000527219201 387538166 /nfs/dbraw/zinc/53/81/66/387538166.db2.gz ORRZKNYISFZXDX-UHFFFAOYSA-N 0 1 207.321 2.448 20 0 BEADMN COc1ccc(CNCC2(F)CC2)cc1OC ZINC000527223390 387539943 /nfs/dbraw/zinc/53/99/43/387539943.db2.gz YQPOHDWVQKYQDD-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN CO[C@@H]1CCCN(Cc2csc(C)n2)CC1 ZINC000374678612 387481288 /nfs/dbraw/zinc/48/12/88/387481288.db2.gz LZJBJMRVTGVCFN-GFCCVEGCSA-N 0 1 240.372 2.452 20 0 BEADMN FC(F)CN(Cc1cnc[nH]1)CC1CCC1 ZINC000355128601 387482323 /nfs/dbraw/zinc/48/23/23/387482323.db2.gz CUXRXOYIANSZOQ-UHFFFAOYSA-N 0 1 229.274 2.277 20 0 BEADMN CC(C)c1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1 ZINC000352791719 387486252 /nfs/dbraw/zinc/48/62/52/387486252.db2.gz JECSCGRXFURNFT-CABCVRRESA-N 0 1 249.354 2.002 20 0 BEADMN COC1(CN(C)Cc2cnccn2)CCCCC1 ZINC000361552786 387487088 /nfs/dbraw/zinc/48/70/88/387487088.db2.gz MXQCGOARITULSL-UHFFFAOYSA-N 0 1 249.358 2.258 20 0 BEADMN Cc1cn[nH]c1CNc1ccc([S@](C)=O)cc1 ZINC000352797676 387487768 /nfs/dbraw/zinc/48/77/68/387487768.db2.gz MTDILRGDJKRAIX-KRWDZBQOSA-N 0 1 249.339 2.068 20 0 BEADMN CC(C)c1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cc1 ZINC000352791720 387488149 /nfs/dbraw/zinc/48/81/49/387488149.db2.gz JECSCGRXFURNFT-GJZGRUSLSA-N 0 1 249.354 2.002 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000355156092 387489654 /nfs/dbraw/zinc/48/96/54/387489654.db2.gz ABNFHDROKHLMTF-PWSUYJOCSA-N 0 1 247.342 2.119 20 0 BEADMN CCc1cc(=O)[n-]c(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000355156092 387489656 /nfs/dbraw/zinc/48/96/56/387489656.db2.gz ABNFHDROKHLMTF-PWSUYJOCSA-N 0 1 247.342 2.119 20 0 BEADMN CCCc1noc(CN2CC[C@H]3CCC[C@H]32)n1 ZINC000355165956 387492001 /nfs/dbraw/zinc/49/20/01/387492001.db2.gz MUORYSSRROYASN-GHMZBOCLSA-N 0 1 235.331 2.397 20 0 BEADMN CN(Cc1cc(C(N)=O)cs1)[C@@H]1CC1(C)C ZINC000426540696 387581275 /nfs/dbraw/zinc/58/12/75/387581275.db2.gz SOYMGNAVMJHQDR-SNVBAGLBSA-N 0 1 238.356 2.077 20 0 BEADMN CCC1CC(NCc2nnc(C)s2)C1 ZINC000379568398 387587076 /nfs/dbraw/zinc/58/70/76/387587076.db2.gz FKCLLTHCDHJVLB-UHFFFAOYSA-N 0 1 211.334 2.125 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)C(C)(C)C)CC1 ZINC000375912283 387593080 /nfs/dbraw/zinc/59/30/80/387593080.db2.gz ASJIOYQVSOFHRW-UHFFFAOYSA-N 0 1 249.358 2.470 20 0 BEADMN COc1ccc(CNCC2(F)CC2)c(OC)c1 ZINC000527520655 387593133 /nfs/dbraw/zinc/59/31/33/387593133.db2.gz CDGPKSROQZTCLC-UHFFFAOYSA-N 0 1 239.290 2.296 20 0 BEADMN Cc1[nH]ncc1C1CCN(C(=O)CC(C)C)CC1 ZINC000375965626 387595742 /nfs/dbraw/zinc/59/57/42/387595742.db2.gz RZXJXJICJUJKDG-UHFFFAOYSA-N 0 1 249.358 2.470 20 0 BEADMN Cc1cc(CN[C@@H](CO)c2ccccc2)ccn1 ZINC000527538959 387606476 /nfs/dbraw/zinc/60/64/76/387606476.db2.gz MTFKBAWEEUNKCH-HNNXBMFYSA-N 0 1 242.322 2.213 20 0 BEADMN COC(=O)c1coc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000430285471 387608911 /nfs/dbraw/zinc/60/89/11/387608911.db2.gz SWUFPPYMKDLRIV-SNVBAGLBSA-N 0 1 249.310 2.464 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnc(N2CCCC2)nc1 ZINC000527238398 387545391 /nfs/dbraw/zinc/54/53/91/387545391.db2.gz BXDPDBQIWBGTEP-VXGBXAGGSA-N 0 1 246.358 2.060 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C ZINC000548425998 387549541 /nfs/dbraw/zinc/54/95/41/387549541.db2.gz ACLNJQCZTWIYST-BJDJZHNGSA-N 0 1 226.364 2.162 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426234634 387550970 /nfs/dbraw/zinc/55/09/70/387550970.db2.gz DEYMXONRGHMNPX-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@@H](C)CN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426234634 387550974 /nfs/dbraw/zinc/55/09/74/387550974.db2.gz DEYMXONRGHMNPX-OLZOCXBDSA-N 0 1 240.391 2.221 20 0 BEADMN CC(C)CNC(=O)CN[C@@H](C)c1cccs1 ZINC000035133083 387555233 /nfs/dbraw/zinc/55/52/33/387555233.db2.gz NFUWJXPMLSMNOO-JTQLQIEISA-N 0 1 240.372 2.171 20 0 BEADMN COC[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000527534275 387627223 /nfs/dbraw/zinc/62/72/23/387627223.db2.gz LIRILNOBCOWWAT-LBPRGKRZSA-N 0 1 240.734 2.346 20 0 BEADMN C[C@@H](O)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000375612009 387556938 /nfs/dbraw/zinc/55/69/38/387556938.db2.gz LQNLBMGCTFFYAD-RNCFNFMXSA-N 0 1 241.281 2.483 20 0 BEADMN CCCc1nc(C)c(CN[C@H](C)[C@H](C)OC)o1 ZINC000426344825 387557265 /nfs/dbraw/zinc/55/72/65/387557265.db2.gz VOIKVGUCPLGCBE-KOLCDFICSA-N 0 1 240.347 2.449 20 0 BEADMN COC[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000527534272 387627386 /nfs/dbraw/zinc/62/73/86/387627386.db2.gz LIRILNOBCOWWAT-GFCCVEGCSA-N 0 1 240.734 2.346 20 0 BEADMN CC(C)CN(Cc1ncnn1C)C1CCCC1 ZINC000426370639 387560656 /nfs/dbraw/zinc/56/06/56/387560656.db2.gz LFQFNYYPUNBZKZ-UHFFFAOYSA-N 0 1 236.363 2.216 20 0 BEADMN Cc1[nH]ncc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000070987843 387569630 /nfs/dbraw/zinc/56/96/30/387569630.db2.gz SMABDZVIHQYJFP-UHFFFAOYSA-N 0 1 240.266 2.452 20 0 BEADMN CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122636719 387571544 /nfs/dbraw/zinc/57/15/44/387571544.db2.gz PGHWRBBMUHDBLI-AVGNSLFASA-N 0 1 240.391 2.125 20 0 BEADMN COC(=O)c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)o1 ZINC000426459255 387571787 /nfs/dbraw/zinc/57/17/87/387571787.db2.gz JYLIFSGLQVBEOQ-CMPLNLGQSA-N 0 1 249.310 2.441 20 0 BEADMN c1nc(C[N@@H+](CC2CC2)CC2CCC2)c[nH]1 ZINC000355727631 387573050 /nfs/dbraw/zinc/57/30/50/387573050.db2.gz JRTAJLZHLFDODR-UHFFFAOYSA-N 0 1 219.332 2.422 20 0 BEADMN COC(=O)c1ccoc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426482287 387573226 /nfs/dbraw/zinc/57/32/26/387573226.db2.gz KIANGKMYVFVQBK-JQWIXIFHSA-N 0 1 249.310 2.441 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2C(C)(C)O)oc1C ZINC000305182870 387573740 /nfs/dbraw/zinc/57/37/40/387573740.db2.gz OLCTWDUERIWZEL-LLVKDONJSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1nc(CN2CCC[C@H]2C(C)(C)O)oc1C ZINC000305182872 387573789 /nfs/dbraw/zinc/57/37/89/387573789.db2.gz OLCTWDUERIWZEL-NSHDSACASA-N 0 1 238.331 2.027 20 0 BEADMN CC[C@H](NCc1cnnn1C)c1ccccc1 ZINC000121988704 387576222 /nfs/dbraw/zinc/57/62/22/387576222.db2.gz KRXXVALSLRYLLX-ZDUSSCGKSA-N 0 1 230.315 2.056 20 0 BEADMN CN(C)c1ncc(CN(C)[C@@H]2CC2(C)C)s1 ZINC000426538578 387579801 /nfs/dbraw/zinc/57/98/01/387579801.db2.gz JPKIHXIRQYWUTM-SNVBAGLBSA-N 0 1 239.388 2.439 20 0 BEADMN Cc1[nH]ncc1CN=c1[nH]c2c(cccc2F)o1 ZINC000362573512 387632331 /nfs/dbraw/zinc/63/23/31/387632331.db2.gz UCSFIKDVUVSSAF-UHFFFAOYSA-N 0 1 246.245 2.032 20 0 BEADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@@H]1C=CCCC1 ZINC000362582469 387634304 /nfs/dbraw/zinc/63/43/04/387634304.db2.gz YVKUTEHFXDGHDW-NWDGAFQWSA-N 0 1 238.375 2.330 20 0 BEADMN C[C@@H](F)CCNC(=O)c1cccc2nc[nH]c21 ZINC000356667271 387694959 /nfs/dbraw/zinc/69/49/59/387694959.db2.gz IZGIRWYBGQDCTK-MRVPVSSYSA-N 0 1 235.262 2.041 20 0 BEADMN CCN(CC)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000125159839 387647094 /nfs/dbraw/zinc/64/70/94/387647094.db2.gz KMVGPTWATKTTDT-GFCCVEGCSA-N 0 1 246.354 2.479 20 0 BEADMN Cc1ccc(NC(=O)c2c(O)cccc2F)nc1 ZINC000125246206 387649169 /nfs/dbraw/zinc/64/91/69/387649169.db2.gz GMFFJNCBXBYFCB-UHFFFAOYSA-N 0 1 246.241 2.487 20 0 BEADMN Cn1ccc(CNCc2ccncc2Cl)c1 ZINC000527669549 387653481 /nfs/dbraw/zinc/65/34/81/387653481.db2.gz IPKOJCYDWXYWDD-UHFFFAOYSA-N 0 1 235.718 2.363 20 0 BEADMN C[C@@H](O)[C@H](C)SCc1n[nH]c(C(C)(C)C)n1 ZINC000430966046 387663141 /nfs/dbraw/zinc/66/31/41/387663141.db2.gz NPWVLQYXHMCBAL-SFYZADRCSA-N 0 1 243.376 2.105 20 0 BEADMN Cc1cc(F)c(CNC[C@@H](O)C(C)C)c(F)c1 ZINC000424137119 387665840 /nfs/dbraw/zinc/66/58/40/387665840.db2.gz BTBDEBUTEJGFAU-CYBMUJFWSA-N 0 1 243.297 2.380 20 0 BEADMN CC[C@H](F)CN(C)C[C@H]1CCCCO1 ZINC000440707017 387674155 /nfs/dbraw/zinc/67/41/55/387674155.db2.gz WDRIOCFKDZHPJV-WDEREUQCSA-N 0 1 203.301 2.235 20 0 BEADMN Cn1ncc(CNCC[C@H]2CCCC2(C)C)n1 ZINC000527725970 387677240 /nfs/dbraw/zinc/67/72/40/387677240.db2.gz BCMCHNSXNVFHHZ-LLVKDONJSA-N 0 1 236.363 2.121 20 0 BEADMN CC[C@H](F)CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000440762333 387685679 /nfs/dbraw/zinc/68/56/79/387685679.db2.gz HNBHJSLTQWDQHQ-QWRGUYRKSA-N 0 1 245.338 2.398 20 0 BEADMN CC[C@@H](F)CN(C)CCc1ccncc1 ZINC000440766379 387685739 /nfs/dbraw/zinc/68/57/39/387685739.db2.gz QUMDQAITWOQDDS-GFCCVEGCSA-N 0 1 210.296 2.304 20 0 BEADMN C[C@H](N[C@H]1CCO[C@H]1C)c1ncccc1F ZINC000527828201 387747798 /nfs/dbraw/zinc/74/77/98/387747798.db2.gz PJXLZUVOVAEXBQ-QXEWZRGKSA-N 0 1 224.279 2.049 20 0 BEADMN CC[C@H](NC(=O)[C@@H]1CCCN1C)C(C)(C)C ZINC000356963415 387748660 /nfs/dbraw/zinc/74/86/60/387748660.db2.gz IDQBOKSEPAUPJE-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN CCCn1ncnc1CN1[C@@H](C)CCC1(C)C ZINC000452019237 387700943 /nfs/dbraw/zinc/70/09/43/387700943.db2.gz YQEOMTNPYWAPQX-NSHDSACASA-N 0 1 236.363 2.451 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)NCC[C@@H](C)F ZINC000356691000 387701774 /nfs/dbraw/zinc/70/17/74/387701774.db2.gz FEPKUSJHSKZMIU-MRVPVSSYSA-N 0 1 241.310 2.319 20 0 BEADMN C[C@@H]1CCC(C)(C)N1Cc1cn(CC2CC2)nn1 ZINC000452022035 387701953 /nfs/dbraw/zinc/70/19/53/387701953.db2.gz OWKPNWOUDLYPCC-LLVKDONJSA-N 0 1 248.374 2.451 20 0 BEADMN COc1ccc(C(C)(C)NCC(C)=O)cc1F ZINC000639894042 387703440 /nfs/dbraw/zinc/70/34/40/387703440.db2.gz YZJSGIGFXRDQAY-UHFFFAOYSA-N 0 1 239.290 2.248 20 0 BEADMN CCc1ccc(NC(=O)CN2CCCC2)cc1 ZINC000001935252 387703903 /nfs/dbraw/zinc/70/39/03/387703903.db2.gz GJQOZEWKAKVGCB-UHFFFAOYSA-N 0 1 232.327 2.283 20 0 BEADMN Cl/C=C/CN1CCOC2(CCOCC2)CC1 ZINC000377275959 387707423 /nfs/dbraw/zinc/70/74/23/387707423.db2.gz BXSNFENLGBPGEQ-ORCRQEGFSA-N 0 1 245.750 2.010 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000452036615 387709118 /nfs/dbraw/zinc/70/91/18/387709118.db2.gz RHMMDZXNVQSDEP-CHWSQXEVSA-N 0 1 238.331 2.420 20 0 BEADMN C[C@H](CC(C)(C)C)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000356797611 387722749 /nfs/dbraw/zinc/72/27/49/387722749.db2.gz GICIFECDFMKQHG-RKDXNWHRSA-N 0 1 238.335 2.054 20 0 BEADMN Cc1csc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000527802619 387725682 /nfs/dbraw/zinc/72/56/82/387725682.db2.gz AQRCIMSTARTYMP-SVDPJWKOSA-N 0 1 240.372 2.353 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)s1 ZINC000527804668 387727799 /nfs/dbraw/zinc/72/77/99/387727799.db2.gz RLICCCXSXQTLRY-SVDPJWKOSA-N 0 1 240.372 2.353 20 0 BEADMN C[C@@H](CO)N(C)Cc1ccccc1Cl ZINC000157084821 387730489 /nfs/dbraw/zinc/73/04/89/387730489.db2.gz FBPUXXBZQSUAMF-VIFPVBQESA-N 0 1 213.708 2.153 20 0 BEADMN C[C@@H](NCC1(O)CCCCCC1)c1ncc[nH]1 ZINC000367594582 387731594 /nfs/dbraw/zinc/73/15/94/387731594.db2.gz LYOYUHNHZSGSAA-LLVKDONJSA-N 0 1 237.347 2.146 20 0 BEADMN CC(C)[C@H](C)CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356868803 387735541 /nfs/dbraw/zinc/73/55/41/387735541.db2.gz ZEOUAMBSSPGKQI-JHJVBQTASA-N 0 1 240.391 2.220 20 0 BEADMN CCc1cc(C(=O)N(C)[C@H](C)C2CCC2)n[nH]1 ZINC000356876147 387738084 /nfs/dbraw/zinc/73/80/84/387738084.db2.gz OAQXWCJAQJLSLK-SECBINFHSA-N 0 1 235.331 2.233 20 0 BEADMN CC(C)CCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000452152331 387756095 /nfs/dbraw/zinc/75/60/95/387756095.db2.gz MZTFRRYHYLJIJW-BETUJISGSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)n1cc(CN2CCC[C@H]2C2CC2)nn1 ZINC000377704734 387740663 /nfs/dbraw/zinc/74/06/63/387740663.db2.gz YMNJVSSGEOHDHW-ZDUSSCGKSA-N 0 1 234.347 2.233 20 0 BEADMN CCc1nnc(CN[C@H](C)[C@H]2CC23CC3)s1 ZINC000527901167 387779538 /nfs/dbraw/zinc/77/95/38/387779538.db2.gz OCBDSBNLWIWAIR-RKDXNWHRSA-N 0 1 237.372 2.379 20 0 BEADMN CCn1nncc1CN[C@H](C)c1ccsc1 ZINC000527913804 387787099 /nfs/dbraw/zinc/78/70/99/387787099.db2.gz BSYZQRIPTDZQCT-SECBINFHSA-N 0 1 236.344 2.210 20 0 BEADMN COC[C@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000646235575 387793497 /nfs/dbraw/zinc/79/34/97/387793497.db2.gz SHARRNUHURDPDX-CYBMUJFWSA-N 0 1 230.311 2.389 20 0 BEADMN CC(C)OCCSCc1n[nH]c(C2CC2)n1 ZINC000193645905 387797226 /nfs/dbraw/zinc/79/72/26/387797226.db2.gz CBFJYXPICPUNJZ-UHFFFAOYSA-N 0 1 241.360 2.340 20 0 BEADMN C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccoc1 ZINC000309510057 387813158 /nfs/dbraw/zinc/81/31/58/387813158.db2.gz XCFLTHWQOPZYMC-RYUDHWBXSA-N 0 1 222.332 2.272 20 0 BEADMN CCCC[N@@H+](CC(N)=O)Cc1cccc(CC)c1 ZINC000188768490 387806939 /nfs/dbraw/zinc/80/69/39/387806939.db2.gz YWBHYCYZPCJQKY-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN CCCCN(CC(N)=O)Cc1cccc(CC)c1 ZINC000188768490 387806943 /nfs/dbraw/zinc/80/69/43/387806943.db2.gz YWBHYCYZPCJQKY-UHFFFAOYSA-N 0 1 248.370 2.336 20 0 BEADMN COC(=O)[C@@H](C)N(C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000525999930 259720005 /nfs/dbraw/zinc/72/00/05/259720005.db2.gz QPQJBIJGFCHMMN-YNEHKIRRSA-N 0 1 239.359 2.472 20 0 BEADMN Cc1cnc([C@@H](C)N(C)C[C@H]2CCOC2)o1 ZINC000356978289 387759393 /nfs/dbraw/zinc/75/93/93/387759393.db2.gz DDXZHUGEGTYUGA-GHMZBOCLSA-N 0 1 224.304 2.012 20 0 BEADMN Cc1cnc([C@H](C)N(C)C[C@@H]2CCOC2)o1 ZINC000356978291 387760413 /nfs/dbraw/zinc/76/04/13/387760413.db2.gz DDXZHUGEGTYUGA-QWRGUYRKSA-N 0 1 224.304 2.012 20 0 BEADMN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccncn1 ZINC000528006104 387820852 /nfs/dbraw/zinc/82/08/52/387820852.db2.gz MZCKAFPXUONYKJ-UHTWSYAYSA-N 0 1 235.331 2.083 20 0 BEADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccoc1 ZINC000309547888 387821376 /nfs/dbraw/zinc/82/13/76/387821376.db2.gz HIVGDYZWQFSECE-CBAPKCEASA-N 0 1 237.221 2.244 20 0 BEADMN CN(Cc1n[nH]c(C(C)(C)C)n1)C1CCC1 ZINC000432825917 387831233 /nfs/dbraw/zinc/83/12/33/387831233.db2.gz WGTGHCDBQPOETF-UHFFFAOYSA-N 0 1 222.336 2.087 20 0 BEADMN Cc1ccc(CNCc2ccncc2)cn1 ZINC000057591078 387838130 /nfs/dbraw/zinc/83/81/30/387838130.db2.gz PBCSVURDUKRXRC-UHFFFAOYSA-N 0 1 213.284 2.075 20 0 BEADMN CCC[NH+]1CCN(CC2(C)CCC2)CC1 ZINC000432923031 387840230 /nfs/dbraw/zinc/84/02/30/387840230.db2.gz CURCEUSBTDLSQS-UHFFFAOYSA-N 0 1 210.365 2.204 20 0 BEADMN CCCCCNC(=O)CN1CCC(C)CC1 ZINC000061758065 387846043 /nfs/dbraw/zinc/84/60/43/387846043.db2.gz HUMOPOUUOXWMTN-UHFFFAOYSA-N 0 1 226.364 2.025 20 0 BEADMN CC[C@@H]1CCC[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC000452533389 387851297 /nfs/dbraw/zinc/85/12/97/387851297.db2.gz SOACNZKYUGZOTD-NEPJUHHUSA-N 0 1 249.358 2.203 20 0 BEADMN CC[C@]1(C)CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000442879337 387854844 /nfs/dbraw/zinc/85/48/44/387854844.db2.gz AQEOAKMYZNWFIV-TZMCWYRMSA-N 0 1 241.375 2.445 20 0 BEADMN C=Cn1cc(CNCc2scnc2C)cn1 ZINC000235792981 387860429 /nfs/dbraw/zinc/86/04/29/387860429.db2.gz BETCQXJGPRYOKR-UHFFFAOYSA-N 0 1 234.328 2.038 20 0 BEADMN Cc1cc(F)c(CNCCCCO)c(F)c1 ZINC000424172741 387869819 /nfs/dbraw/zinc/86/98/19/387869819.db2.gz DJRHXCJCKWGTTD-UHFFFAOYSA-N 0 1 229.270 2.135 20 0 BEADMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034734 387818824 /nfs/dbraw/zinc/81/88/24/387818824.db2.gz BIUQAFDNLZUIHG-KXUCPTDWSA-N 0 1 226.295 2.295 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2CCOCC2)[C@H](C)[C@@H](C)O1 ZINC000432789225 387819390 /nfs/dbraw/zinc/81/93/90/387819390.db2.gz QIEPQWYGKQEAIG-JHJVBQTASA-N 0 1 241.375 2.301 20 0 BEADMN O=C(CC1CCCCC1)N1CCc2nc[nH]c2C1 ZINC000065164077 387877667 /nfs/dbraw/zinc/87/76/67/387877667.db2.gz OCFMWYHYRTZXQY-UHFFFAOYSA-N 0 1 247.342 2.265 20 0 BEADMN O=C1CCC[C@@H]1[C@H]1COCCN1CC1=CCCC1 ZINC000645860268 387878818 /nfs/dbraw/zinc/87/88/18/387878818.db2.gz UABLJJSSJVOYNW-ZIAGYGMSSA-N 0 1 249.354 2.167 20 0 BEADMN CCCN(CC(=O)OCC)C(C)(C)C ZINC000152094165 387881275 /nfs/dbraw/zinc/88/12/75/387881275.db2.gz WEWMBMYGLQAYQJ-UHFFFAOYSA-N 0 1 201.310 2.060 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCc1cccc(C)n1 ZINC000645776620 387899771 /nfs/dbraw/zinc/89/97/71/387899771.db2.gz FKTGLQVQUAFVIG-HIFRSBDPSA-N 0 1 248.370 2.432 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000424185201 387899827 /nfs/dbraw/zinc/89/98/27/387899827.db2.gz FNPBSDHALQSDDV-SDDRHHMPSA-N 0 1 249.358 2.400 20 0 BEADMN COc1ccnc(CNC[C@H]2CCCC[C@@H]2C)n1 ZINC000424194784 387917560 /nfs/dbraw/zinc/91/75/60/387917560.db2.gz WXPIJCRISSMPNI-NWDGAFQWSA-N 0 1 249.358 2.401 20 0 BEADMN COc1ccnc(CN[C@H](C)[C@H]2CC2(C)C)n1 ZINC000424194773 387917591 /nfs/dbraw/zinc/91/75/91/387917591.db2.gz WXNJQPZKNPBCOM-NXEZZACHSA-N 0 1 235.331 2.009 20 0 BEADMN COC[C@H](C)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424196475 387922123 /nfs/dbraw/zinc/92/21/23/387922123.db2.gz MVPOULBPSPRRQJ-CYZMBNFOSA-N 0 1 223.291 2.248 20 0 BEADMN CSCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000243191557 387939403 /nfs/dbraw/zinc/93/94/03/387939403.db2.gz JZZUGOSYMNZUHI-UHFFFAOYSA-N 0 1 235.312 2.255 20 0 BEADMN Fc1cc(F)c(CN[C@H]2CCCOC2)cc1F ZINC000225275711 387941995 /nfs/dbraw/zinc/94/19/95/387941995.db2.gz MTHPPBLIIOPZFA-VIFPVBQESA-N 0 1 245.244 2.373 20 0 BEADMN C[C@@H]1c2cccn2CCN1C[C@H]1CCCO1 ZINC000245395981 387943928 /nfs/dbraw/zinc/94/39/28/387943928.db2.gz JOSPOWXTBUFZBY-VXGBXAGGSA-N 0 1 220.316 2.044 20 0 BEADMN C[C@H]1c2cccn2CCN1C[C@H]1CCCO1 ZINC000245395980 387944028 /nfs/dbraw/zinc/94/40/28/387944028.db2.gz JOSPOWXTBUFZBY-NWDGAFQWSA-N 0 1 220.316 2.044 20 0 BEADMN COc1ccnc(CN[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000424306118 387962139 /nfs/dbraw/zinc/96/21/39/387962139.db2.gz GSHKLHYPYHCYBB-VXGBXAGGSA-N 0 1 247.342 2.154 20 0 BEADMN CCC[C@@H](CC)NCc1nccc(OC)n1 ZINC000424306367 387962566 /nfs/dbraw/zinc/96/25/66/387962566.db2.gz HURJXTGNIBGTDS-SNVBAGLBSA-N 0 1 223.320 2.154 20 0 BEADMN CCSc1ccc(Cl)cc1NC(=O)CN ZINC000158792360 387962930 /nfs/dbraw/zinc/96/29/30/387962930.db2.gz WTDWJRGWXQRWQI-UHFFFAOYSA-N 0 1 244.747 2.349 20 0 BEADMN COc1ccnc(CN[C@@H]2CCCC23CCC3)n1 ZINC000424309854 387964258 /nfs/dbraw/zinc/96/42/58/387964258.db2.gz RIWCOFPCZOWYJK-LLVKDONJSA-N 0 1 247.342 2.298 20 0 BEADMN COc1ccnc(CN[C@H]2CCC[C@H]2C(C)C)n1 ZINC000424309731 387964358 /nfs/dbraw/zinc/96/43/58/387964358.db2.gz QZYQDKHYGWFJTO-RYUDHWBXSA-N 0 1 249.358 2.400 20 0 BEADMN COC(=O)c1coc([C@H](C)N[C@H]2CC23CC3)c1 ZINC000424315211 387965099 /nfs/dbraw/zinc/96/50/99/387965099.db2.gz DGDCHZKREQHCSL-KWQFWETISA-N 0 1 235.283 2.269 20 0 BEADMN Cc1cnccc1CCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000645881548 387965285 /nfs/dbraw/zinc/96/52/85/387965285.db2.gz BCOPXCHAIXUSHB-MJBXVCDLSA-N 0 1 248.370 2.430 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000424312112 387965780 /nfs/dbraw/zinc/96/57/80/387965780.db2.gz VZZQRHJQBCBNCJ-NEPJUHHUSA-N 0 1 247.342 2.154 20 0 BEADMN COc1ccnc(CN[C@H]2CC[C@H]2C2CCC2)n1 ZINC000424312114 387965881 /nfs/dbraw/zinc/96/58/81/387965881.db2.gz VZZQRHJQBCBNCJ-RYUDHWBXSA-N 0 1 247.342 2.154 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000424312115 387966000 /nfs/dbraw/zinc/96/60/00/387966000.db2.gz VZZQRHJQBCBNCJ-VXGBXAGGSA-N 0 1 247.342 2.154 20 0 BEADMN Cc1[nH]ncc1CN[C@H](C1CC1)C(F)(F)F ZINC000288332278 387970023 /nfs/dbraw/zinc/97/00/23/387970023.db2.gz AUKWIRAMBWOJQP-SECBINFHSA-N 0 1 233.237 2.149 20 0 BEADMN C[C@@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)C(F)(F)F ZINC000424321999 387972049 /nfs/dbraw/zinc/97/20/49/387972049.db2.gz KXBCOXNWVNKHAD-QXFUBDJGSA-N 0 1 236.281 2.010 20 0 BEADMN CC(C)C[C@H](N)c1noc([C@@]2(C)C[C@@H]2F)n1 ZINC000424342633 387981561 /nfs/dbraw/zinc/98/15/61/387981561.db2.gz YOOQCYFBJTZXDB-LAEOZQHASA-N 0 1 227.283 2.115 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H]1SC ZINC000453156169 387991124 /nfs/dbraw/zinc/99/11/24/387991124.db2.gz ZFGMQZKTGFYAHX-HBNTYKKESA-N 0 1 239.388 2.448 20 0 BEADMN CCCCOCCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446074106 387995927 /nfs/dbraw/zinc/99/59/27/387995927.db2.gz QQFXRUUNDQGKJK-AVGNSLFASA-N 0 1 229.364 2.301 20 0 BEADMN CCn1cc(CN2CCS[C@@H](C)[C@H]2C)cn1 ZINC000245807115 387984875 /nfs/dbraw/zinc/98/48/75/387984875.db2.gz YUDJVQZSFKAEED-MNOVXSKESA-N 0 1 239.388 2.229 20 0 BEADMN CCC[C@H](NCc1ncn(C)n1)C(C)(C)C ZINC000453166539 388000268 /nfs/dbraw/zinc/00/02/68/388000268.db2.gz QXMLNDBTGQTFKH-JTQLQIEISA-N 0 1 224.352 2.120 20 0 BEADMN Cc1ccncc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424416554 388005773 /nfs/dbraw/zinc/00/57/73/388005773.db2.gz KIWHXAGHRHYSFF-YPMHNXCESA-N 0 1 248.326 2.075 20 0 BEADMN CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000046058841 388008045 /nfs/dbraw/zinc/00/80/45/388008045.db2.gz FMIMKHDSKUTHBG-TXEJJXNPSA-N 0 1 238.375 2.260 20 0 BEADMN CCC1(CC)CCC[N@@H+](CC(=O)[O-])CC1 ZINC000263582797 135127270 /nfs/dbraw/zinc/12/72/70/135127270.db2.gz ZCBIGEVQWBCJDD-UHFFFAOYSA-N 0 1 213.321 2.363 20 0 BEADMN CC(C)c1ncc(CNC(=O)[C@@H](F)C(C)C)[nH]1 ZINC001645476863 1172670852 /nfs/dbraw/zinc/67/08/52/1172670852.db2.gz XNSYQKOPRQTMPD-JTQLQIEISA-N 0 1 241.310 2.143 20 0 BEADMN CCC[C@@H](CN[C@@H](CC)c1nccn1C)OC ZINC000453238734 388020726 /nfs/dbraw/zinc/02/07/26/388020726.db2.gz ALMTVKVMIRPRQE-RYUDHWBXSA-N 0 1 239.363 2.276 20 0 BEADMN Cc1nnc(NC(=O)c2ccc(Cl)cc2)[nH]1 ZINC000082284745 388022196 /nfs/dbraw/zinc/02/21/96/388022196.db2.gz NFPVYGZHYJSHNT-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN Cc1n[nH]c(NC(=O)c2ccc(Cl)cc2)n1 ZINC000082284745 388022200 /nfs/dbraw/zinc/02/22/00/388022200.db2.gz NFPVYGZHYJSHNT-UHFFFAOYSA-N 0 1 236.662 2.019 20 0 BEADMN C[C@@H](CC1CCCCC1)NC(=O)CN(C)C ZINC000446723245 388033006 /nfs/dbraw/zinc/03/30/06/388033006.db2.gz PEDJOUOUCUKAMZ-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCC(C)(C)C)C(=O)[O-] ZINC000261527278 135151372 /nfs/dbraw/zinc/15/13/72/135151372.db2.gz KPZQLKCHRUXYRO-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CC[C@@H](NCc1ccnc(C)c1)c1cnn(C)c1 ZINC000453301503 388038695 /nfs/dbraw/zinc/03/86/95/388038695.db2.gz YVBVQMVLQZTWHT-CQSZACIVSA-N 0 1 244.342 2.364 20 0 BEADMN C[C@@H](CC(=O)N1CCNCC1)C1CCCCC1 ZINC000082654131 388039117 /nfs/dbraw/zinc/03/91/17/388039117.db2.gz YNKCFFHYIMQJLF-LBPRGKRZSA-N 0 1 238.375 2.025 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000629369991 388041362 /nfs/dbraw/zinc/04/13/62/388041362.db2.gz GYUBXXJGCFRYMA-NWDGAFQWSA-N 0 1 247.338 2.196 20 0 BEADMN C[C@H](O)CCN[C@@H](C)c1c(F)cccc1F ZINC000082994041 388044087 /nfs/dbraw/zinc/04/40/87/388044087.db2.gz YBPKVTDYBNDLNU-IUCAKERBSA-N 0 1 229.270 2.386 20 0 BEADMN CN(C)c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000161962545 388029878 /nfs/dbraw/zinc/02/98/78/388029878.db2.gz OMMGIOJQJXIASV-UHFFFAOYSA-N 0 1 239.662 2.162 20 0 BEADMN CCC(CC)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000083404184 388052155 /nfs/dbraw/zinc/05/21/55/388052155.db2.gz SVFXIOAJUFBTDS-LLVKDONJSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccc(CN(CCO)CC2=CCCC2)o1 ZINC000645896737 388053594 /nfs/dbraw/zinc/05/35/94/388053594.db2.gz UTAPGEBUIMLSRQ-UHFFFAOYSA-N 0 1 235.327 2.493 20 0 BEADMN CCc1nnc(SC[C@H]2CCO[C@@H](C)C2)[nH]1 ZINC000447112550 388055065 /nfs/dbraw/zinc/05/50/65/388055065.db2.gz VYXBWSFIRINWMS-IUCAKERBSA-N 0 1 241.360 2.274 20 0 BEADMN CCc1n[nH]c(SC[C@H]2CCO[C@@H](C)C2)n1 ZINC000447112550 388055067 /nfs/dbraw/zinc/05/50/67/388055067.db2.gz VYXBWSFIRINWMS-IUCAKERBSA-N 0 1 241.360 2.274 20 0 BEADMN COC[C@H](NCc1cnc(C2CC2)o1)C1CC1 ZINC000453351024 388055836 /nfs/dbraw/zinc/05/58/36/388055836.db2.gz KLZQQIOBFDZOAT-LBPRGKRZSA-N 0 1 236.315 2.067 20 0 BEADMN CC[N@@H+](CC(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000083662656 388057589 /nfs/dbraw/zinc/05/75/89/388057589.db2.gz APLNNLQRBKEIEQ-SNVBAGLBSA-N 0 1 237.299 2.163 20 0 BEADMN CCCN(Cc1ncnn1CCF)CC(C)C ZINC000440691512 388066599 /nfs/dbraw/zinc/06/65/99/388066599.db2.gz IHCQCDZHKDHINU-UHFFFAOYSA-N 0 1 242.342 2.116 20 0 BEADMN CC[C@H](N[C@@H](C)c1cc(C)oc1C)C(=O)NC ZINC000453405528 388074416 /nfs/dbraw/zinc/07/44/16/388074416.db2.gz OWIAGSZKAAYQQU-CABZTGNLSA-N 0 1 238.331 2.072 20 0 BEADMN CCOC[C@@H]1CCCCN1Cc1cnc(C)cn1 ZINC000453411787 388076611 /nfs/dbraw/zinc/07/66/11/388076611.db2.gz CGLWIDGTULQOQD-AWEZNQCLSA-N 0 1 249.358 2.176 20 0 BEADMN CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000261527781 135152363 /nfs/dbraw/zinc/15/23/63/135152363.db2.gz HCFRZVDZJITTMB-UWVGGRQHSA-N 0 1 201.310 2.074 20 0 BEADMN CCC[C@@H](N[C@H](CC)C(=O)NC)c1ccccn1 ZINC000453424470 388080750 /nfs/dbraw/zinc/08/07/50/388080750.db2.gz YBAGSZLDLAPQLR-DGCLKSJQSA-N 0 1 249.358 2.037 20 0 BEADMN Cc1nocc1CNCCOCC1CCCC1 ZINC000453582526 388086500 /nfs/dbraw/zinc/08/65/00/388086500.db2.gz IMTZFZZWGKHNNL-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN CC[C@@]1(C(C)C)C[C@H]1NCc1cc[nH]n1 ZINC000453605565 388091635 /nfs/dbraw/zinc/09/16/35/388091635.db2.gz CXWQIAOQADIFEU-NEPJUHHUSA-N 0 1 207.321 2.324 20 0 BEADMN CC[C@]1(C(C)C)C[C@H]1NCc1nccnc1OC ZINC000453621871 388093275 /nfs/dbraw/zinc/09/32/75/388093275.db2.gz YTKNQBGZLICNBI-TZMCWYRMSA-N 0 1 249.358 2.400 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NCc1nccn1C ZINC000453621872 388093847 /nfs/dbraw/zinc/09/38/47/388093847.db2.gz YTTDMGHUETUFFG-AAEUAGOBSA-N 0 1 221.348 2.334 20 0 BEADMN CCCn1ncnc1CN1[C@H](CC)CC[C@@H]1C ZINC000447888081 388100254 /nfs/dbraw/zinc/10/02/54/388100254.db2.gz BPBFYTGYDBNWFK-NWDGAFQWSA-N 0 1 236.363 2.451 20 0 BEADMN Cc1ccc(CNCCOCC2CC2)o1 ZINC000163940753 388100315 /nfs/dbraw/zinc/10/03/15/388100315.db2.gz ZSUUOMIFABSCTB-UHFFFAOYSA-N 0 1 209.289 2.104 20 0 BEADMN CCCn1ncnc1CN1[C@@H](C)CC[C@@H]1CC ZINC000447888082 388100368 /nfs/dbraw/zinc/10/03/68/388100368.db2.gz BPBFYTGYDBNWFK-RYUDHWBXSA-N 0 1 236.363 2.451 20 0 BEADMN O=C([O-])C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000086751982 388108398 /nfs/dbraw/zinc/10/83/98/388108398.db2.gz JRPAKGLLZYDRTF-CYBMUJFWSA-N 0 1 231.295 2.223 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000086726300 388108402 /nfs/dbraw/zinc/10/84/02/388108402.db2.gz DQYARXAFHFQKNI-LBPRGKRZSA-N 0 1 245.278 2.482 20 0 BEADMN CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000086774391 388108656 /nfs/dbraw/zinc/10/86/56/388108656.db2.gz IHVPXJQXVMJPTK-BXUZGUMPSA-N 0 1 247.338 2.402 20 0 BEADMN Cc1ccccc1C1(NCC(=O)NC(C)C)CC1 ZINC000645978513 388113802 /nfs/dbraw/zinc/11/38/02/388113802.db2.gz SQWZMDNVQKCMIT-UHFFFAOYSA-N 0 1 246.354 2.098 20 0 BEADMN CC[C@H](F)CN1CC=C(COC)CC1 ZINC000440540826 388049449 /nfs/dbraw/zinc/04/94/49/388049449.db2.gz ZTTXCCRDLFFBMT-NSHDSACASA-N 0 1 201.285 2.013 20 0 BEADMN CC(C)C[C@H](N)c1noc(-c2ccccn2)n1 ZINC000083331176 388049604 /nfs/dbraw/zinc/04/96/04/388049604.db2.gz AJYHSNVQEXWEIG-VIFPVBQESA-N 0 1 232.287 2.178 20 0 BEADMN Cc1cnc(CNC[C@@H]2CCC(C)(C)O2)s1 ZINC000449260531 388164050 /nfs/dbraw/zinc/16/40/50/388164050.db2.gz WJKYSJCKQAEREA-JTQLQIEISA-N 0 1 240.372 2.499 20 0 BEADMN CN(CC[C@H]1CCCO1)Cc1ccncc1F ZINC000449269023 388164807 /nfs/dbraw/zinc/16/48/07/388164807.db2.gz LFQRUQSVOMQVFC-GFCCVEGCSA-N 0 1 238.306 2.222 20 0 BEADMN COc1nccc(CN2CCCC3(CCC3)C2)n1 ZINC000449295329 388169290 /nfs/dbraw/zinc/16/92/90/388169290.db2.gz RKCAMTRPUONLBM-UHFFFAOYSA-N 0 1 247.342 2.251 20 0 BEADMN C[C@@H]1C[C@@H]1CNCc1nc(-c2ccccc2)no1 ZINC000488569234 388188110 /nfs/dbraw/zinc/18/81/10/388188110.db2.gz BTKIPVBDXKBHLI-ZYHUDNBSSA-N 0 1 243.310 2.482 20 0 BEADMN COc1nccnc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000449302965 388169962 /nfs/dbraw/zinc/16/99/62/388169962.db2.gz VRXVWZNLQFUXOF-NSHDSACASA-N 0 1 249.358 2.496 20 0 BEADMN CCCC[C@H](C)C(=O)N1CCc2nc[nH]c2C1 ZINC000646257987 388172036 /nfs/dbraw/zinc/17/20/36/388172036.db2.gz WKBZOJYPGDZPGG-JTQLQIEISA-N 0 1 235.331 2.121 20 0 BEADMN COc1nccnc1CNC1C(C)(C)C1(C)C ZINC000449324460 388172823 /nfs/dbraw/zinc/17/28/23/388172823.db2.gz FULLOIHTIKCEAI-UHFFFAOYSA-N 0 1 235.331 2.009 20 0 BEADMN CC(C)C[C@H](CO)N(C)Cc1ccncc1F ZINC000449331411 388174149 /nfs/dbraw/zinc/17/41/49/388174149.db2.gz ONRRXPRUGPQJDN-GFCCVEGCSA-N 0 1 240.322 2.060 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000161264764 388174550 /nfs/dbraw/zinc/17/45/50/388174550.db2.gz OJMUKWAKDIAIGH-ZETCQYMHSA-N 0 1 245.681 2.384 20 0 BEADMN Oc1ccc(CNc2cc3c(cn2)CCC3)cc1 ZINC000646282233 388175549 /nfs/dbraw/zinc/17/55/49/388175549.db2.gz RNTRNFRVUGZNKU-UHFFFAOYSA-N 0 1 240.306 2.310 20 0 BEADMN COC[C@@H]1CCN1Cc1ccc(C)cc1OC ZINC000449340862 388176411 /nfs/dbraw/zinc/17/64/11/388176411.db2.gz QOTUVIGZWMQPOV-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN CC[C@H]1C[C@H](C[N@@H+](C(C)C)C2COC2)CCO1 ZINC000449349413 388179261 /nfs/dbraw/zinc/17/92/61/388179261.db2.gz GOOCEWGJTCZSLP-OCCSQVGLSA-N 0 1 241.375 2.301 20 0 BEADMN CC(F)(F)CCNCc1ccn(C(F)F)n1 ZINC000449353915 388179975 /nfs/dbraw/zinc/17/99/75/388179975.db2.gz IEYLUFPRQVPDGS-UHFFFAOYSA-N 0 1 239.216 2.413 20 0 BEADMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)COC)[nH]1 ZINC000488470999 388181580 /nfs/dbraw/zinc/18/15/80/388181580.db2.gz CEDFJDHKKNQUDW-LPEHRKFASA-N 0 1 240.351 2.004 20 0 BEADMN CC[C@H](N[C@@H]1CCO[C@H](C)C1)C(F)F ZINC000449361081 388181838 /nfs/dbraw/zinc/18/18/38/388181838.db2.gz KMPILOBGHRRPSU-HLTSFMKQSA-N 0 1 207.264 2.187 20 0 BEADMN CC[C@H](N[C@H](C)[C@@H]1CCOC1)C(F)F ZINC000449361050 388181846 /nfs/dbraw/zinc/18/18/46/388181846.db2.gz KKPCKAVPZBHBQT-HLTSFMKQSA-N 0 1 207.264 2.045 20 0 BEADMN CC[C@H](N[C@H](C)C1CCOCC1)C(F)F ZINC000449362558 388182202 /nfs/dbraw/zinc/18/22/02/388182202.db2.gz NGDSOXDZDKCPPS-SCZZXKLOSA-N 0 1 221.291 2.435 20 0 BEADMN CC[C@@H](NC1CCC(NC(C)=O)CC1)C(F)F ZINC000449364808 388183071 /nfs/dbraw/zinc/18/30/71/388183071.db2.gz UHJPQVFADXYMDO-VQXHTEKXSA-N 0 1 248.317 2.067 20 0 BEADMN CC[C@H](NC1CCC(NC(C)=O)CC1)C(F)F ZINC000449364807 388183714 /nfs/dbraw/zinc/18/37/14/388183714.db2.gz UHJPQVFADXYMDO-ILDUYXDCSA-N 0 1 248.317 2.067 20 0 BEADMN CC1(F)CC(NCc2ccn(C(F)F)n2)C1 ZINC000449369977 388184259 /nfs/dbraw/zinc/18/42/59/388184259.db2.gz GVZJCJPYFKOESQ-UHFFFAOYSA-N 0 1 233.237 2.258 20 0 BEADMN CCCN1CCN(C(=O)CCCC(C)C)CC1 ZINC000448899914 388118862 /nfs/dbraw/zinc/11/88/62/388118862.db2.gz XJGJPAGRNFVKML-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCCCCN(CCO)Cc1ccncc1F ZINC000449007647 388127717 /nfs/dbraw/zinc/12/77/17/388127717.db2.gz FIKGRLNHUQHPRK-UHFFFAOYSA-N 0 1 240.322 2.205 20 0 BEADMN CCOC(=O)CN(C[C@H]1C[C@@H]1C)C1CCC1 ZINC000488547049 388186157 /nfs/dbraw/zinc/18/61/57/388186157.db2.gz RTFLXXSFLYCYOH-WDEREUQCSA-N 0 1 225.332 2.060 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)NCCCC1CC1 ZINC000646040022 388129622 /nfs/dbraw/zinc/12/96/22/388129622.db2.gz JJKPEDZXLQXGDX-CQSZACIVSA-N 0 1 246.354 2.301 20 0 BEADMN COc1nccnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000449035478 388133912 /nfs/dbraw/zinc/13/39/12/388133912.db2.gz OOJKZHDTEHSWMN-TXEJJXNPSA-N 0 1 247.342 2.107 20 0 BEADMN CC[C@@]1(C)CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC000449037447 388134551 /nfs/dbraw/zinc/13/45/51/388134551.db2.gz NGDRSHYPIFIIJS-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ccnc(OC)n2)C1 ZINC000449037447 388134552 /nfs/dbraw/zinc/13/45/52/388134552.db2.gz NGDRSHYPIFIIJS-ZDUSSCGKSA-N 0 1 235.331 2.107 20 0 BEADMN CCn1nnc(C)c1CNCc1cccc(C)c1 ZINC000449069621 388139287 /nfs/dbraw/zinc/13/92/87/388139287.db2.gz HRCIIWALDBZBRU-UHFFFAOYSA-N 0 1 244.342 2.205 20 0 BEADMN CC(C)COCCN1C[C@@H](C)OC2(CCC2)C1 ZINC000646116443 388145799 /nfs/dbraw/zinc/14/57/99/388145799.db2.gz VSCWMRHKAOYOMO-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN Cc1ccccc1[C@H](N)C(=O)NC[C@H](C)C(C)C ZINC000449132761 388146638 /nfs/dbraw/zinc/14/66/38/388146638.db2.gz WGXZQXZEOUJBKL-JSGCOSHPSA-N 0 1 248.370 2.403 20 0 BEADMN Cc1ccccc1[C@@H](N)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000449140605 388147672 /nfs/dbraw/zinc/14/76/72/388147672.db2.gz NYMUSLOUSPEOSJ-MBNYWOFBSA-N 0 1 246.354 2.109 20 0 BEADMN CN(C)c1ncc(CN2CC[C@H]2C2CC2)s1 ZINC000449430472 388203857 /nfs/dbraw/zinc/20/38/57/388203857.db2.gz ZXDRESJGROGXSA-NSHDSACASA-N 0 1 237.372 2.193 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000456523630 388206014 /nfs/dbraw/zinc/20/60/14/388206014.db2.gz FKUUFXNYGCMWSK-CHWSQXEVSA-N 0 1 240.391 2.221 20 0 BEADMN CC/C=C\CNCc1ccn(C(F)F)n1 ZINC000449450648 388209570 /nfs/dbraw/zinc/20/95/70/388209570.db2.gz BMBFVMHXONIIJS-ARJAWSKDSA-N 0 1 215.247 2.334 20 0 BEADMN CCCCN(CC)C(=O)CN(C)[C@@H]1CC1(C)C ZINC000489424290 388211149 /nfs/dbraw/zinc/21/11/49/388211149.db2.gz IMFSPIRPTHEICU-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN C[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CC1(C)C ZINC000489436635 388213667 /nfs/dbraw/zinc/21/36/67/388213667.db2.gz YIOMSXZNBVTQLD-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN CN(CC(=O)NCCC(C)(C)C)[C@@H]1CC1(C)C ZINC000489436635 388213669 /nfs/dbraw/zinc/21/36/69/388213669.db2.gz YIOMSXZNBVTQLD-LLVKDONJSA-N 0 1 240.391 2.269 20 0 BEADMN Cc1csc(CNCc2n[nH]cc2C)c1 ZINC000449480085 388215072 /nfs/dbraw/zinc/21/50/72/388215072.db2.gz NOECMDKZNHTTOM-UHFFFAOYSA-N 0 1 221.329 2.378 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000456671521 388215163 /nfs/dbraw/zinc/21/51/63/388215163.db2.gz XWDCMWJJJZABLM-QWHCGFSZSA-N 0 1 238.375 2.166 20 0 BEADMN CC[C@H](NC(=O)[C@H]1CCCN1C)C1CCCC1 ZINC000456671521 388215164 /nfs/dbraw/zinc/21/51/64/388215164.db2.gz XWDCMWJJJZABLM-QWHCGFSZSA-N 0 1 238.375 2.166 20 0 BEADMN CO[C@@](C)(CNCc1cc[nH]n1)c1ccccc1 ZINC000449485162 388215903 /nfs/dbraw/zinc/21/59/03/388215903.db2.gz PIKCUGRHRSNJFP-AWEZNQCLSA-N 0 1 245.326 2.061 20 0 BEADMN C[C@@H]1CCCCN1C(=O)CN(C)[C@H]1CC1(C)C ZINC000489507882 388219193 /nfs/dbraw/zinc/21/91/93/388219193.db2.gz DQKGTTYYVCDCTJ-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN CCO[C@@H]1CCN(Cc2ccnc(C)n2)C[C@H]1C ZINC000449510600 388221042 /nfs/dbraw/zinc/22/10/42/388221042.db2.gz XKZBNQSAKQETBV-BXUZGUMPSA-N 0 1 249.358 2.032 20 0 BEADMN CCC[C@H]1CCCC[C@H]1CNC(=O)CN(C)C ZINC000456840466 388226409 /nfs/dbraw/zinc/22/64/09/388226409.db2.gz PRWWLZWNQJSGTJ-STQMWFEESA-N 0 1 240.391 2.271 20 0 BEADMN CCC[C@@H]1CCCC[C@@H]1CNC(=O)CN(C)C ZINC000456840463 388226543 /nfs/dbraw/zinc/22/65/43/388226543.db2.gz PRWWLZWNQJSGTJ-CHWSQXEVSA-N 0 1 240.391 2.271 20 0 BEADMN CC[C@@H]1CN(CC)CCN1Cc1cncs1 ZINC000449567316 388234809 /nfs/dbraw/zinc/23/48/09/388234809.db2.gz VNIKDVIUGYHEPL-LLVKDONJSA-N 0 1 239.388 2.059 20 0 BEADMN CCc1nnc(CN(C)C2(C)CCCC2)o1 ZINC000490139629 388235155 /nfs/dbraw/zinc/23/51/55/388235155.db2.gz MRQBZWRPFFRZIH-UHFFFAOYSA-N 0 1 223.320 2.397 20 0 BEADMN COCCN(Cc1[nH]ncc1C)c1ccccc1 ZINC000449578369 388236734 /nfs/dbraw/zinc/23/67/34/388236734.db2.gz LBENBCCHOOJWDG-UHFFFAOYSA-N 0 1 245.326 2.371 20 0 BEADMN COCc1nc(CNC[C@H]2C[C@@H]2C)cs1 ZINC000164427998 388238257 /nfs/dbraw/zinc/23/82/57/388238257.db2.gz WFYHPGBYZNUJSF-DTWKUNHWSA-N 0 1 226.345 2.035 20 0 BEADMN c1[nH]nnc1SCc1nc2ccccc2o1 ZINC000490436663 388238830 /nfs/dbraw/zinc/23/88/30/388238830.db2.gz GWJGZDKDYJTNKP-UHFFFAOYSA-N 0 1 232.268 2.238 20 0 BEADMN Cc1cc(C(=O)N2CCCC(C)(C)CC2)n[nH]1 ZINC000152618297 388244243 /nfs/dbraw/zinc/24/42/43/388244243.db2.gz OUANMXFNDZKFEQ-UHFFFAOYSA-N 0 1 235.331 2.370 20 0 BEADMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)C12CCC2 ZINC000449633073 388246298 /nfs/dbraw/zinc/24/62/98/388246298.db2.gz OQRFILFRUADKGF-ZIAGYGMSSA-N 0 1 246.354 2.471 20 0 BEADMN CC[C@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000449629599 388246561 /nfs/dbraw/zinc/24/65/61/388246561.db2.gz KVYPWUJPOSQQRN-STQMWFEESA-N 0 1 212.381 2.449 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000451623960 388285488 /nfs/dbraw/zinc/28/54/88/388285488.db2.gz NYSFTQXEOKBVNZ-ZYHUDNBSSA-N 0 1 246.310 2.485 20 0 BEADMN CC[C@H](F)CN1CC[N@@H+](CC)C[C@@H]1CC ZINC000451740947 388292747 /nfs/dbraw/zinc/29/27/47/388292747.db2.gz MXCQLJOCMHJFJP-RYUDHWBXSA-N 0 1 216.344 2.151 20 0 BEADMN CCc1noc(C)c1CN[C@@H]1COCC1(C)C ZINC000451814816 388298423 /nfs/dbraw/zinc/29/84/23/388298423.db2.gz XXTVAYKKTJKEFF-GFCCVEGCSA-N 0 1 238.331 2.060 20 0 BEADMN c1csc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000070131300 388275847 /nfs/dbraw/zinc/27/58/47/388275847.db2.gz CSINHAZYWZPEHJ-ZETCQYMHSA-N 0 1 221.285 2.223 20 0 BEADMN CC(C)c1nc([C@@H](C)NC(=O)/C=C\C2CC2)n[nH]1 ZINC000492314944 388341283 /nfs/dbraw/zinc/34/12/83/388341283.db2.gz ZFXVAQSALPDIAS-ATJFRQLMSA-N 0 1 248.330 2.072 20 0 BEADMN C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000293652811 388356381 /nfs/dbraw/zinc/35/63/81/388356381.db2.gz SPUSQFJEUSFGGL-IUCAKERBSA-N 0 1 243.734 2.152 20 0 BEADMN CO[C@H](CN[C@H](C)c1cc(C)on1)C1CC1 ZINC000293691877 388359559 /nfs/dbraw/zinc/35/95/59/388359559.db2.gz LGWRVCDNZWFWLT-BXKDBHETSA-N 0 1 224.304 2.059 20 0 BEADMN C[C@@H]1C[C@H](NCCOC(C)(C)C)c2nccn21 ZINC000308688571 388363000 /nfs/dbraw/zinc/36/30/00/388363000.db2.gz DQYSYQRXWPPXQP-MNOVXSKESA-N 0 1 237.347 2.294 20 0 BEADMN C[N@@H+](CCC(=O)[O-])[C@@H]1C=CCCCCC1 ZINC000308776609 388364266 /nfs/dbraw/zinc/36/42/66/388364266.db2.gz GKKZDERCSKHIPO-LLVKDONJSA-N 0 1 211.305 2.282 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C ZINC000524517189 388364345 /nfs/dbraw/zinc/36/43/45/388364345.db2.gz LOJKZZQGEGJZER-RYUDHWBXSA-N 0 1 226.364 2.023 20 0 BEADMN Cc1ccc([C@@H](C)N(C)C(=O)CN(C)C)cc1 ZINC000193551283 388373395 /nfs/dbraw/zinc/37/33/95/388373395.db2.gz KFZNFANMXVZINR-GFCCVEGCSA-N 0 1 234.343 2.076 20 0 BEADMN O[C@@H]1CC[C@H](CNCc2ncc(Cl)s2)C1 ZINC000236549959 388380314 /nfs/dbraw/zinc/38/03/14/388380314.db2.gz ZOTIPMXISARCBW-JGVFFNPUSA-N 0 1 246.763 2.047 20 0 BEADMN O[C@@H]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000236534769 388380426 /nfs/dbraw/zinc/38/04/26/388380426.db2.gz ZOTIPMXISARCBW-HTQZYQBOSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@]1(CNCc2ccon2)CCCS1 ZINC000327671483 388381141 /nfs/dbraw/zinc/38/11/41/388381141.db2.gz ZTHUZXLWAOQZQD-JTQLQIEISA-N 0 1 212.318 2.050 20 0 BEADMN NC1(c2noc(/C=C\c3cscn3)n2)CCC1 ZINC000572878411 388383085 /nfs/dbraw/zinc/38/30/85/388383085.db2.gz FBBQMXBJDNESKD-IHWYPQMZSA-N 0 1 248.311 2.034 20 0 BEADMN CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)[O-] ZINC000236890004 388385534 /nfs/dbraw/zinc/38/55/34/388385534.db2.gz OAXVZQZFFDWPNU-LLVKDONJSA-N 0 1 221.300 2.024 20 0 BEADMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000572901746 388386504 /nfs/dbraw/zinc/38/65/04/388386504.db2.gz ZLZWTBUERUGZSI-IUCAKERBSA-N 0 1 235.274 2.217 20 0 BEADMN CC[C@@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000237006261 388389163 /nfs/dbraw/zinc/38/91/63/388389163.db2.gz LQQWIHTXELEZJK-LBPRGKRZSA-N 0 1 246.310 2.202 20 0 BEADMN CCC[C@H](O)C[NH2+]Cc1cccc([O-])c1Cl ZINC000293550158 388389332 /nfs/dbraw/zinc/38/93/32/388389332.db2.gz KZEITOHNQREOOB-JTQLQIEISA-N 0 1 243.734 2.296 20 0 BEADMN Cc1ccnc(NC[C@H](C)CCCO)c1 ZINC000294980651 388406427 /nfs/dbraw/zinc/40/64/27/388406427.db2.gz PCHRONIBXXTUOL-LLVKDONJSA-N 0 1 208.305 2.211 20 0 BEADMN C[C@@H](CN[C@H]1CCn2ccnc21)c1nccs1 ZINC000294232955 388396373 /nfs/dbraw/zinc/39/63/73/388396373.db2.gz VOSGMUMZTBBSDF-UWVGGRQHSA-N 0 1 248.355 2.178 20 0 BEADMN Cc1n[nH]c(C)c1NC(=O)/C=C/C1CCC1 ZINC000492089244 388334316 /nfs/dbraw/zinc/33/43/16/388334316.db2.gz PKTLJSQCLUCLFF-VOTSOKGWSA-N 0 1 219.288 2.321 20 0 BEADMN O=C(C=CC1CCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000492116254 388335659 /nfs/dbraw/zinc/33/56/59/388335659.db2.gz GXRCGAMPXXDENN-GUOLPTJISA-N 0 1 245.326 2.260 20 0 BEADMN COc1nccc(CN[C@H](C)c2cccs2)n1 ZINC000294690984 388403799 /nfs/dbraw/zinc/40/37/99/388403799.db2.gz FXFOPNBYBSKUJZ-SECBINFHSA-N 0 1 249.339 2.398 20 0 BEADMN O=C(C=CC1CCC1)Nc1ccc2[nH]nnc2c1 ZINC000492146597 388336672 /nfs/dbraw/zinc/33/66/72/388336672.db2.gz TZLZAZGDLHGJIG-DAXSKMNVSA-N 0 1 242.282 2.253 20 0 BEADMN Cc1noc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000042651725 388444809 /nfs/dbraw/zinc/44/48/09/388444809.db2.gz XIFXDCZVNHIDID-GUBZILKMSA-N 0 1 223.320 2.417 20 0 BEADMN C[C@@H](C(=O)N1CCCC[C@@H]1C1CCC1)N(C)C ZINC000649197038 388455343 /nfs/dbraw/zinc/45/53/43/388455343.db2.gz CALBCUJAJHMJBC-WCQYABFASA-N 0 1 238.375 2.118 20 0 BEADMN O=C(Cc1ccn[nH]1)N1CCCC[C@H]1C1CCC1 ZINC000649197975 388455349 /nfs/dbraw/zinc/45/53/49/388455349.db2.gz YGILNWWKRBCKJI-ZDUSSCGKSA-N 0 1 247.342 2.133 20 0 BEADMN C[C@@H]1OCC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000336318627 388456625 /nfs/dbraw/zinc/45/66/25/388456625.db2.gz LTIWOBSXFOORLV-CABZTGNLSA-N 0 1 218.300 2.160 20 0 BEADMN CS[C@@H]1CC[C@H]1NCc1nc(C)cs1 ZINC000336671808 388461627 /nfs/dbraw/zinc/46/16/27/388461627.db2.gz ZGUSHNCWUJLQMP-RKDXNWHRSA-N 0 1 228.386 2.435 20 0 BEADMN CCN1CCN(C(=O)CCCC(C)C)C[C@@H]1C ZINC000649226004 388462494 /nfs/dbraw/zinc/46/24/94/388462494.db2.gz GFGNUQBIZYCFFF-ZDUSSCGKSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)(C)CC[C@H](CO)NCc1cscn1 ZINC000336697684 388464709 /nfs/dbraw/zinc/46/47/09/388464709.db2.gz ZGGSDSNHALNMIF-SNVBAGLBSA-N 0 1 242.388 2.420 20 0 BEADMN CSCCN[C@@H](C)c1nccs1 ZINC000083143443 256751023 /nfs/dbraw/zinc/75/10/23/256751023.db2.gz AQDBDKKMGIVHPP-ZETCQYMHSA-N 0 1 202.348 2.157 20 0 BEADMN O[C@H]1C[C@@H](NCc2cscc2Cl)C1 ZINC000648848443 388468234 /nfs/dbraw/zinc/46/82/34/388468234.db2.gz SZYVNTLUDJUWJC-OCAPTIKFSA-N 0 1 217.721 2.014 20 0 BEADMN C[C@H](CN[C@@H](C)c1nccn1C)C(F)(F)F ZINC000336726941 388470085 /nfs/dbraw/zinc/47/00/85/388470085.db2.gz BVWIEDMDLWXGJO-SFYZADRCSA-N 0 1 235.253 2.269 20 0 BEADMN CC[C@H](NCc1nc(C)no1)[C@H]1CC1(C)C ZINC000397586786 388481737 /nfs/dbraw/zinc/48/17/37/388481737.db2.gz ISANESMTRHTEFO-ZJUUUORDSA-N 0 1 223.320 2.292 20 0 BEADMN CC(C)N(Cc1ncnn1C)C1CCCCC1 ZINC000177095768 388475610 /nfs/dbraw/zinc/47/56/10/388475610.db2.gz YYDPERIYRAXHQW-UHFFFAOYSA-N 0 1 236.363 2.358 20 0 BEADMN CCC[C@H](C)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000177250938 388478468 /nfs/dbraw/zinc/47/84/68/388478468.db2.gz MXVWJIDVDCPJFJ-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnc(CNCCc2ncccc2C)s1 ZINC000295095652 388409054 /nfs/dbraw/zinc/40/90/54/388409054.db2.gz UHSSYCOKXGQYDA-UHFFFAOYSA-N 0 1 247.367 2.487 20 0 BEADMN C[C@@H](N(C)Cc1cnc(Cl)s1)C(C)(C)O ZINC000295238209 388410081 /nfs/dbraw/zinc/41/00/81/388410081.db2.gz XUYHWNSEGDOYKV-SSDOTTSWSA-N 0 1 248.779 2.388 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000165967954 388413609 /nfs/dbraw/zinc/41/36/09/388413609.db2.gz CHNFQODLGYSOOG-SSDOTTSWSA-N 0 1 245.681 2.384 20 0 BEADMN COC(=O)[C@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000307827523 388427331 /nfs/dbraw/zinc/42/73/31/388427331.db2.gz YHTLSUOTKYSFJY-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H](NCc1nn(C)cc1Cl)C1CC1 ZINC000393394917 388428973 /nfs/dbraw/zinc/42/89/73/388428973.db2.gz CWMHPZYRUGWABF-JTQLQIEISA-N 0 1 227.739 2.352 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000308089850 388431665 /nfs/dbraw/zinc/43/16/65/388431665.db2.gz PFRSYBROJUXDSX-UWVGGRQHSA-N 0 1 238.335 2.054 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000308094769 388431833 /nfs/dbraw/zinc/43/18/33/388431833.db2.gz YHARZRCHFZPZLU-VIFPVBQESA-N 0 1 224.308 2.124 20 0 BEADMN CC[C@H](CCO)[NH2+]Cc1cccc([O-])c1Cl ZINC000336889958 388432418 /nfs/dbraw/zinc/43/24/18/388432418.db2.gz GWYRQIATQMZXLB-SNVBAGLBSA-N 0 1 243.734 2.296 20 0 BEADMN CC[C@](C)(CNCc1cscn1)OC ZINC000322582059 388438792 /nfs/dbraw/zinc/43/87/92/388438792.db2.gz DBODNOFBJXOESB-SNVBAGLBSA-N 0 1 214.334 2.048 20 0 BEADMN CO[C@H]1C[C@@H](N(C)C/C=C(\C)Cl)C1 ZINC000528508585 388538253 /nfs/dbraw/zinc/53/82/53/388538253.db2.gz QMQDTVRJOYCTKC-HDXDTZNISA-N 0 1 203.713 2.238 20 0 BEADMN CCC1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000516489740 256776727 /nfs/dbraw/zinc/77/67/27/256776727.db2.gz FVYXGSYBQFFAMC-LLVKDONJSA-N 0 1 249.358 2.237 20 0 BEADMN CC1(C)COC[C@H]1NCc1ncccc1Cl ZINC000528516138 388540319 /nfs/dbraw/zinc/54/03/19/388540319.db2.gz DGNFKVNSXBLUGZ-LLVKDONJSA-N 0 1 240.734 2.250 20 0 BEADMN C/C(Cl)=C\C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000528523907 388542319 /nfs/dbraw/zinc/54/23/19/388542319.db2.gz JPGNABQIWVDZHV-UTQNMZQMSA-N 0 1 229.751 2.222 20 0 BEADMN CCCN(C)CC(=O)Nc1cccc2cc[nH]c21 ZINC000548474723 388542553 /nfs/dbraw/zinc/54/25/53/388542553.db2.gz QXDICALMXVTVQO-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN C/C(Cl)=C\CN1CCC[C@H](n2ccnn2)C1 ZINC000528525909 388543347 /nfs/dbraw/zinc/54/33/47/388543347.db2.gz MJRNKSFBUPVMAC-INJWIWPUSA-N 0 1 240.738 2.058 20 0 BEADMN CCC[C@H](NCc1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397603124 388483424 /nfs/dbraw/zinc/48/34/24/388483424.db2.gz GOAJFGMCPSUJJE-QWRGUYRKSA-N 0 1 236.363 2.120 20 0 BEADMN CCCn1cc(CN[C@H]2CCC[C@H]2F)cn1 ZINC000339590603 388486699 /nfs/dbraw/zinc/48/66/99/388486699.db2.gz RNVGVJLLFHKGTD-NEPJUHHUSA-N 0 1 225.311 2.273 20 0 BEADMN CCOC(=O)[C@H](CC)N(C)CCC1CC1 ZINC000135252440 388486899 /nfs/dbraw/zinc/48/68/99/388486899.db2.gz JHAOPUAEVNPUQU-NSHDSACASA-N 0 1 213.321 2.060 20 0 BEADMN CCCN(C)Cc1ccc(C(=O)OC)cc1F ZINC000135245772 388486951 /nfs/dbraw/zinc/48/69/51/388486951.db2.gz BETMEEWJNFVEMI-UHFFFAOYSA-N 0 1 239.290 2.454 20 0 BEADMN C[C@H](NCc1c[nH]nn1)c1cc2ccccc2o1 ZINC000340245801 388489079 /nfs/dbraw/zinc/48/90/79/388489079.db2.gz RLEHVFOFBAFYRW-VIFPVBQESA-N 0 1 242.282 2.402 20 0 BEADMN CC[C@H](N[C@H]1CCC[C@H]1F)c1cnn(C)c1 ZINC000340529206 388492905 /nfs/dbraw/zinc/49/29/05/388492905.db2.gz ITTLFSKEVVRSTL-WOPDTQHZSA-N 0 1 225.311 2.351 20 0 BEADMN O=C([O-])C1([N@@H+](CCCCF)C2CC2)CCC1 ZINC000516585302 256794459 /nfs/dbraw/zinc/79/44/59/256794459.db2.gz NQJMZYHKKNLQKI-UHFFFAOYSA-N 0 1 229.295 2.208 20 0 BEADMN CCn1ccnc1CN1CCC[C@@H]1CSC ZINC000135443004 388496659 /nfs/dbraw/zinc/49/66/59/388496659.db2.gz BJDZCVRPFNRERO-LLVKDONJSA-N 0 1 239.388 2.230 20 0 BEADMN CCC[C@@H](NCC(F)(F)CO)[C@H]1CC1(C)C ZINC000397760807 388497163 /nfs/dbraw/zinc/49/71/63/388497163.db2.gz KZAULYTUGLAEBW-NXEZZACHSA-N 0 1 235.318 2.418 20 0 BEADMN CC[C@]1(C)CN(CCc2ccccn2)CCO1 ZINC000135601424 388502904 /nfs/dbraw/zinc/50/29/04/388502904.db2.gz RFBRBNRYMDLWLY-CQSZACIVSA-N 0 1 234.343 2.125 20 0 BEADMN CCCCOCCN1CCO[C@](C)(CC)C1 ZINC000135666421 388503968 /nfs/dbraw/zinc/50/39/68/388503968.db2.gz XBHMAIHUNDYEJA-CYBMUJFWSA-N 0 1 229.364 2.304 20 0 BEADMN CCc1cnc(CNCC2=CCOCC2)s1 ZINC000397861314 388506937 /nfs/dbraw/zinc/50/69/37/388506937.db2.gz XQTUXZBBCLNKLV-UHFFFAOYSA-N 0 1 238.356 2.142 20 0 BEADMN C[C@@H]1CC[C@H](CNc2ncnc3ccsc32)O1 ZINC000397935744 388511821 /nfs/dbraw/zinc/51/18/21/388511821.db2.gz HPUYGEHCZRJTGX-RKDXNWHRSA-N 0 1 249.339 2.093 20 0 BEADMN C[C@H]1C[C@H](C)N1CC(=O)NCC1CCCCC1 ZINC000548098693 388512315 /nfs/dbraw/zinc/51/23/15/388512315.db2.gz XMIOLPSOHMGYPE-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000345350773 388512340 /nfs/dbraw/zinc/51/23/40/388512340.db2.gz OLODJOAMVFOREG-KXNHARMFSA-N 0 1 235.331 2.046 20 0 BEADMN CCC(C)(C)[C@@H](C)NCc1nccc(OC)n1 ZINC000516643755 388512433 /nfs/dbraw/zinc/51/24/33/388512433.db2.gz YXDNXKPUYVYSBK-SNVBAGLBSA-N 0 1 237.347 2.400 20 0 BEADMN CCOc1cccc(CN2[C@H](C)C[C@@H]2C)n1 ZINC000548098156 388512667 /nfs/dbraw/zinc/51/26/67/388512667.db2.gz VHEKSSLMDMLODT-PHIMTYICSA-N 0 1 220.316 2.463 20 0 BEADMN C[C@@H](N[C@@H](C)c1nccn1C)[C@H]1CCCCO1 ZINC000356678317 388549610 /nfs/dbraw/zinc/54/96/10/388549610.db2.gz FMUYGORZYAMCFH-GRYCIOLGSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1cccc(CCN2CCO[C@@H](C(C)C)C2)n1 ZINC000516766500 388515526 /nfs/dbraw/zinc/51/55/26/388515526.db2.gz XBMJZUHJJKZOTL-OAHLLOKOSA-N 0 1 248.370 2.289 20 0 BEADMN CC[C@H](CO)N(C)c1ccnc(C)c1Cl ZINC000345836828 388516450 /nfs/dbraw/zinc/51/64/50/388516450.db2.gz OJQBNUFWJJIEFZ-SECBINFHSA-N 0 1 228.723 2.251 20 0 BEADMN COC[C@@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528386489 388520077 /nfs/dbraw/zinc/52/00/77/388520077.db2.gz IZZIPCRBOPMWQX-SNVBAGLBSA-N 0 1 240.734 2.203 20 0 BEADMN CC1(C)CC(CN2CC[S@@](=O)CC2(C)C)C1 ZINC000528465465 388530338 /nfs/dbraw/zinc/53/03/38/388530338.db2.gz KQBBVZIASHQBQD-MRXNPFEDSA-N 0 1 243.416 2.266 20 0 BEADMN CC[C@H](C)[C@@H](CNCc1nc(C)c(C)[nH]1)OC ZINC000516981193 388531474 /nfs/dbraw/zinc/53/14/74/388531474.db2.gz GRZRXFKIDHUEOX-JOYOIKCWSA-N 0 1 239.363 2.177 20 0 BEADMN C[C@H]1CN(CC2CC(C)(C)C2)C[C@H](C)S1=O ZINC000528473837 388531658 /nfs/dbraw/zinc/53/16/58/388531658.db2.gz INBONIJYPVVIRW-QWRGUYRKSA-N 0 1 243.416 2.264 20 0 BEADMN CCN(CCOC)Cc1ccc2c(n1)CCC2 ZINC000517015878 388532185 /nfs/dbraw/zinc/53/21/85/388532185.db2.gz KBKKBESDVCXCSQ-UHFFFAOYSA-N 0 1 234.343 2.039 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cc(CO)ccc1F ZINC000528485543 388533687 /nfs/dbraw/zinc/53/36/87/388533687.db2.gz RWCIDYLDWXPKNW-AOOOYVTPSA-N 0 1 223.291 2.301 20 0 BEADMN COC(=O)c1cc(CN2C[C@H](C)[C@@H]2C)c(C)o1 ZINC000549921750 388594706 /nfs/dbraw/zinc/59/47/06/388594706.db2.gz NZULTSYIPGNOFW-IUCAKERBSA-N 0 1 237.299 2.215 20 0 BEADMN CC/C=C(\C)C(=O)NCCCc1cn[nH]c1C ZINC000219577785 388596812 /nfs/dbraw/zinc/59/68/12/388596812.db2.gz COUFLGZCAWPIOU-UXBLZVDNSA-N 0 1 235.331 2.123 20 0 BEADMN O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C1CC=CC1 ZINC000530030317 388605613 /nfs/dbraw/zinc/60/56/13/388605613.db2.gz SJNLEPYHAUGYQE-CQSZACIVSA-N 0 1 248.370 2.086 20 0 BEADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CN(C)C ZINC000550456606 388608314 /nfs/dbraw/zinc/60/83/14/388608314.db2.gz GGWUSHGISIYMQU-FRRDWIJNSA-N 0 1 240.391 2.125 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC1CC(C)(C)C1 ZINC000530164025 388618233 /nfs/dbraw/zinc/61/82/33/388618233.db2.gz BSZVLHNLYKVLAM-KOLCDFICSA-N 0 1 225.332 2.218 20 0 BEADMN CCOC[C@@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000528719398 388561154 /nfs/dbraw/zinc/56/11/54/388561154.db2.gz MVWBETRJLMYIEX-ZFWWWQNUSA-N 0 1 249.354 2.485 20 0 BEADMN CCOC[C@H]1CN(CCCC(C)C)CCO1 ZINC000528732306 388563502 /nfs/dbraw/zinc/56/35/02/388563502.db2.gz PBBDEHMBDLWCSQ-CYBMUJFWSA-N 0 1 229.364 2.160 20 0 BEADMN Cc1ccc(CNCC2=CCCOC2)o1 ZINC000288425088 388564501 /nfs/dbraw/zinc/56/45/01/388564501.db2.gz KDRQCIWFOLMJKE-UHFFFAOYSA-N 0 1 207.273 2.024 20 0 BEADMN C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccnc(N)c1 ZINC000528774695 388571203 /nfs/dbraw/zinc/57/12/03/388571203.db2.gz VSRDLUKSQLMSMW-VIFPVBQESA-N 0 1 241.285 2.114 20 0 BEADMN C[C@H]1CC(F)(F)CCN1Cc1ccnc(N)c1 ZINC000528774695 388571206 /nfs/dbraw/zinc/57/12/06/388571206.db2.gz VSRDLUKSQLMSMW-VIFPVBQESA-N 0 1 241.285 2.114 20 0 BEADMN CCC1(CC)C[N@@H+](CC2CC2)CC[S@@]1=O ZINC000185249607 388585514 /nfs/dbraw/zinc/58/55/14/388585514.db2.gz NQJOWPSWMXXMCQ-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN CCC1(CC)CN(CC2CC2)CC[S@@]1=O ZINC000185249607 388585515 /nfs/dbraw/zinc/58/55/15/388585515.db2.gz NQJOWPSWMXXMCQ-HNNXBMFYSA-N 0 1 229.389 2.020 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](CC)C2)o1 ZINC000125163405 388669975 /nfs/dbraw/zinc/66/99/75/388669975.db2.gz SXMVDDYOCHLYIV-ZJUUUORDSA-N 0 1 223.320 2.425 20 0 BEADMN C[C@@H](Cc1ccsc1)N1CCO[C@H](C)C1 ZINC000552123243 388670373 /nfs/dbraw/zinc/67/03/73/388670373.db2.gz LKBXAYIUIBLUGT-WDEREUQCSA-N 0 1 225.357 2.400 20 0 BEADMN C[C@@H]1CCSCC[N@H+]1Cc1cccn1C ZINC000191817598 388670798 /nfs/dbraw/zinc/67/07/98/388670798.db2.gz ACMUNBDUNYPETI-LLVKDONJSA-N 0 1 224.373 2.353 20 0 BEADMN [O-]c1cccnc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000552138569 388673028 /nfs/dbraw/zinc/67/30/28/388673028.db2.gz XPNTYDRCDFKIMZ-GFCCVEGCSA-N 0 1 232.327 2.409 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000552138569 388673031 /nfs/dbraw/zinc/67/30/31/388673031.db2.gz XPNTYDRCDFKIMZ-GFCCVEGCSA-N 0 1 232.327 2.409 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(Cc2ncccn2)C1 ZINC000192126069 388674774 /nfs/dbraw/zinc/67/47/74/388674774.db2.gz YBVQZHHHMWAQRX-VXGBXAGGSA-N 0 1 219.332 2.345 20 0 BEADMN C[N@@H+](CCCc1ccccc1)CC1(C(=O)[O-])CC1 ZINC000522008850 388675339 /nfs/dbraw/zinc/67/53/39/388675339.db2.gz XAVJSOSOLRUFRE-UHFFFAOYSA-N 0 1 247.338 2.416 20 0 BEADMN CCc1nnc(CN2CCC[C@@H]3CCC[C@H]32)[nH]1 ZINC000248547746 388683718 /nfs/dbraw/zinc/68/37/18/388683718.db2.gz FGMNRDGZAGCJEZ-WDEREUQCSA-N 0 1 234.347 2.132 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000530167556 388619328 /nfs/dbraw/zinc/61/93/28/388619328.db2.gz CJASOAUUPNFUJY-SKDRFNHKSA-N 0 1 237.299 2.310 20 0 BEADMN C[C@@H](NCc1ncccc1F)[C@]1(C)CCCO1 ZINC000551086410 388621523 /nfs/dbraw/zinc/62/15/23/388621523.db2.gz SDWOZUQDRVPGGH-MFKMUULPSA-N 0 1 238.306 2.268 20 0 BEADMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](CC2CC2)C1 ZINC000521634598 388621676 /nfs/dbraw/zinc/62/16/76/388621676.db2.gz QBHKZBKQTLWMFM-HNNXBMFYSA-N 0 1 245.322 2.125 20 0 BEADMN CCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642619366 388623367 /nfs/dbraw/zinc/62/33/67/388623367.db2.gz ZNLOJKZUXKATLF-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN CCN(CC(=O)N1C[C@@H](C)CC[C@H]1C)C1CC1 ZINC000246372441 388633996 /nfs/dbraw/zinc/63/39/96/388633996.db2.gz YSJYYKRVFGXIIT-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN CC[N@@H+](CCC(C)C)C[C@H](O)C(F)(F)F ZINC000189448206 388635355 /nfs/dbraw/zinc/63/53/55/388635355.db2.gz BRWRYDUQWZRKGO-VIFPVBQESA-N 0 1 227.270 2.278 20 0 BEADMN C[C@@H](C[N@@H+](C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000251118118 388641764 /nfs/dbraw/zinc/64/17/64/388641764.db2.gz QJGBMJXDYVRNGV-WDEREUQCSA-N 0 1 221.300 2.195 20 0 BEADMN Cc1ccc(O)cc1NC(=O)CN(C)C1CCC1 ZINC000530272269 388642009 /nfs/dbraw/zinc/64/20/09/388642009.db2.gz BCWHASBVFKOFPU-UHFFFAOYSA-N 0 1 248.326 2.123 20 0 BEADMN COC[C@H](C)NCc1nc(C(C)C)cs1 ZINC000123456902 388644774 /nfs/dbraw/zinc/64/47/74/388644774.db2.gz SJYIEEGTFFZZGG-VIFPVBQESA-N 0 1 228.361 2.391 20 0 BEADMN C[C@@H]1CN(CCCC2CCCC2)C[C@H](CO)O1 ZINC000190154337 388647643 /nfs/dbraw/zinc/64/76/43/388647643.db2.gz GEMNHMJYWNUYEM-TZMCWYRMSA-N 0 1 241.375 2.038 20 0 BEADMN Cc1cccc([C@H](C)N2C[C@H](C)O[C@H](CO)C2)c1 ZINC000190111250 388647898 /nfs/dbraw/zinc/64/78/98/388647898.db2.gz PBAHRAAMFWJGMD-YDHLFZDLSA-N 0 1 249.354 2.138 20 0 BEADMN CC(C)C[N@@H+](CC1(CC(=O)[O-])CC1)C1CC1 ZINC000083854744 388648388 /nfs/dbraw/zinc/64/83/88/388648388.db2.gz BWDJVDIXVZSXCA-UHFFFAOYSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000246719532 388650424 /nfs/dbraw/zinc/65/04/24/388650424.db2.gz VAYHCRWHRCVKPO-CHWSQXEVSA-N 0 1 240.391 2.077 20 0 BEADMN CC[C@@H]1CCCN(CN2CC(C)(C)OC2=O)C1 ZINC000123740330 388656111 /nfs/dbraw/zinc/65/61/11/388656111.db2.gz NUEHDRLIIXQNKC-LLVKDONJSA-N 0 1 240.347 2.297 20 0 BEADMN C[C@H](C(=O)OC(C)(C)C)N1CCC[C@H](C)C1 ZINC000247214426 388660899 /nfs/dbraw/zinc/66/08/99/388660899.db2.gz XGCZQVMWSYZSCZ-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN CC/C=C/CCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000248599853 388685966 /nfs/dbraw/zinc/68/59/66/388685966.db2.gz CBYKVHNHOKVZQH-LASXONHFSA-N 0 1 247.404 2.096 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194864749 388745506 /nfs/dbraw/zinc/74/55/06/388745506.db2.gz YGEBUMIKGGZGRU-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2ccoc2)n[nH]1 ZINC000539063362 388746014 /nfs/dbraw/zinc/74/60/14/388746014.db2.gz BPZMXGVDYRDHQB-BDAKNGLRSA-N 0 1 234.303 2.372 20 0 BEADMN CCc1cnc(CN[C@H](C)C2CCOCC2)o1 ZINC000539360221 388754933 /nfs/dbraw/zinc/75/49/33/388754933.db2.gz REWVMRXCRGSPDF-SNVBAGLBSA-N 0 1 238.331 2.142 20 0 BEADMN c1nc(CNC[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)co1 ZINC000248678625 388690015 /nfs/dbraw/zinc/69/00/15/388690015.db2.gz UZTFVBSWHHQKNC-QLFBSQMISA-N 0 1 240.306 2.350 20 0 BEADMN C[C@@H]1CCN(C(=O)[C@@](C)(N)c2ccccc2)[C@H]1C ZINC000249047901 388705288 /nfs/dbraw/zinc/70/52/88/388705288.db2.gz WPNBCLPCIUXSAC-XUJVJEKNSA-N 0 1 246.354 2.117 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCS[C@H](C)CC1 ZINC000249132961 388710756 /nfs/dbraw/zinc/71/07/56/388710756.db2.gz YHGPJUTYLSUMLY-MNOVXSKESA-N 0 1 245.388 2.156 20 0 BEADMN COC[C@@H](C)CN1CCn2cccc2[C@@H]1C ZINC000249179146 388711589 /nfs/dbraw/zinc/71/15/89/388711589.db2.gz HAYTWZZVSJBSGP-RYUDHWBXSA-N 0 1 222.332 2.147 20 0 BEADMN C1CO[C@H](c2noc([C@H]3CCCCCN3)n2)C1 ZINC000087800881 388712623 /nfs/dbraw/zinc/71/26/23/388712623.db2.gz VEVCENGZHPMEHI-ZJUUUORDSA-N 0 1 237.303 2.126 20 0 BEADMN Fc1ccc(F)c(CNCC2=CCCOC2)c1 ZINC000127100293 388715234 /nfs/dbraw/zinc/71/52/34/388715234.db2.gz WAVWLBXHLOENEH-UHFFFAOYSA-N 0 1 239.265 2.401 20 0 BEADMN C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)N(C)C2CC2)C1 ZINC000193841066 388717405 /nfs/dbraw/zinc/71/74/05/388717405.db2.gz HFPCOKZBDZOCDZ-YPMHNXCESA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)N(C)C2CC2)C1 ZINC000193841091 388717489 /nfs/dbraw/zinc/71/74/89/388717489.db2.gz HFPCOKZBDZOCDZ-DGCLKSJQSA-N 0 1 238.375 2.118 20 0 BEADMN COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)ccc1C ZINC000193989632 388720440 /nfs/dbraw/zinc/72/04/40/388720440.db2.gz MMOQESFLZSVJGC-OAHLLOKOSA-N 0 1 249.354 2.350 20 0 BEADMN C=Cn1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cn1 ZINC000193977469 388721023 /nfs/dbraw/zinc/72/10/23/388721023.db2.gz REBZUHYNQNPSMK-GHMZBOCLSA-N 0 1 237.372 2.309 20 0 BEADMN C=Cn1cc(CN2CCS[C@H](C)[C@H]2C)cn1 ZINC000193977469 388721025 /nfs/dbraw/zinc/72/10/25/388721025.db2.gz REBZUHYNQNPSMK-GHMZBOCLSA-N 0 1 237.372 2.309 20 0 BEADMN CCOCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000127407990 388722993 /nfs/dbraw/zinc/72/29/93/388722993.db2.gz WQXJKWUVZWYJGW-SECBINFHSA-N 0 1 240.372 2.319 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000538823884 388730490 /nfs/dbraw/zinc/73/04/90/388730490.db2.gz LGMBYUQWGNWNSK-ZDUSSCGKSA-N 0 1 233.290 2.497 20 0 BEADMN C[C@]1(F)CCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000538823884 388730492 /nfs/dbraw/zinc/73/04/92/388730492.db2.gz LGMBYUQWGNWNSK-ZDUSSCGKSA-N 0 1 233.290 2.497 20 0 BEADMN CCn1ncnc1CN[C@@H](C)CCc1ccco1 ZINC000088590792 388732532 /nfs/dbraw/zinc/73/25/32/388732532.db2.gz KQVNLFKFTJLSJZ-NSHDSACASA-N 0 1 248.330 2.002 20 0 BEADMN C[C@H](NCc1ccsc1)c1cn[nH]c1 ZINC000229884179 388803552 /nfs/dbraw/zinc/80/35/52/388803552.db2.gz NOXZRQDTJZXEAB-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN Cc1nnc(CN2CCC[C@H](C)CC2)o1 ZINC000068837739 388810104 /nfs/dbraw/zinc/81/01/04/388810104.db2.gz ZTCFCYFSAYYEBL-VIFPVBQESA-N 0 1 209.293 2.000 20 0 BEADMN CC[C@H](C(N)=O)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433062533 388758129 /nfs/dbraw/zinc/75/81/29/388758129.db2.gz OUNNPIMKPNATCN-UONOGXRCSA-N 0 1 246.354 2.130 20 0 BEADMN FC(F)(F)[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000334348517 135367493 /nfs/dbraw/zinc/36/74/93/135367493.db2.gz YWYNCEXOGINWBQ-DTWKUNHWSA-N 0 1 223.238 2.050 20 0 BEADMN CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000252442292 388766645 /nfs/dbraw/zinc/76/66/45/388766645.db2.gz UWBCMYYGUQSBJK-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000252442293 388766653 /nfs/dbraw/zinc/76/66/53/388766653.db2.gz UWBCMYYGUQSBJK-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCOC(=O)[C@H](C)N1CCSC(C)(C)CC1 ZINC000228088012 388768649 /nfs/dbraw/zinc/76/86/49/388768649.db2.gz IMDLPKOPFSDBEM-JTQLQIEISA-N 0 1 245.388 2.156 20 0 BEADMN CCCCN(CCOC)Cc1cnoc1C ZINC000128601900 388775963 /nfs/dbraw/zinc/77/59/63/388775963.db2.gz TXCWGIMCHOMCBQ-UHFFFAOYSA-N 0 1 226.320 2.232 20 0 BEADMN CC[C@H](C)[C@H](O)CN[C@H](C)c1nccs1 ZINC000252738361 388778725 /nfs/dbraw/zinc/77/87/25/388778725.db2.gz BJNUBESFDWHYDB-IVZWLZJFSA-N 0 1 228.361 2.201 20 0 BEADMN Cc1oncc1CN1CCS[C@H](C)[C@@H]1C ZINC000128671193 388784062 /nfs/dbraw/zinc/78/40/62/388784062.db2.gz FBWAMWBDQCKTAD-WCBMZHEXSA-N 0 1 226.345 2.309 20 0 BEADMN CC(C)c1cc(N[C@H]2CC[C@H]2C)nc(N(C)C)n1 ZINC000553707785 388786244 /nfs/dbraw/zinc/78/62/44/388786244.db2.gz HACLOVNRCSJFSH-MNOVXSKESA-N 0 1 248.374 2.298 20 0 BEADMN CC(C)c1cc(N[C@H]2CC[C@@H]2C)nc(N(C)C)n1 ZINC000553707786 388786478 /nfs/dbraw/zinc/78/64/78/388786478.db2.gz HACLOVNRCSJFSH-QWRGUYRKSA-N 0 1 248.374 2.298 20 0 BEADMN COc1cc(C)nc(CN2CCCCC2)c1 ZINC000270198155 388790724 /nfs/dbraw/zinc/79/07/24/388790724.db2.gz BUMHEKWJTXVTGD-UHFFFAOYSA-N 0 1 220.316 2.385 20 0 BEADMN CN1CCC[C@@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000540907689 388823721 /nfs/dbraw/zinc/82/37/21/388823721.db2.gz IDMOZMJIMIWAEM-ZIAGYGMSSA-N 0 1 244.338 2.054 20 0 BEADMN CC[C@@H]1CCC[N@@H+]1Cc1ncccc1[O-] ZINC000554853756 388833074 /nfs/dbraw/zinc/83/30/74/388833074.db2.gz BZDYHAKEFFCQJY-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN CC[C@@H]1CCC[N@H+]1Cc1ncccc1[O-] ZINC000554853756 388833076 /nfs/dbraw/zinc/83/30/76/388833076.db2.gz BZDYHAKEFFCQJY-SNVBAGLBSA-N 0 1 206.289 2.162 20 0 BEADMN O=C(Nc1cncnc1)c1ccc(Cl)cc1O ZINC000231774010 388843030 /nfs/dbraw/zinc/84/30/30/388843030.db2.gz YZPHICHJNHKMEP-UHFFFAOYSA-N 0 1 249.657 2.088 20 0 BEADMN Cc1oncc1CN(C)CCc1ccncc1 ZINC000129647189 388861269 /nfs/dbraw/zinc/86/12/69/388861269.db2.gz SJVFOYCWOREERB-UHFFFAOYSA-N 0 1 231.299 2.053 20 0 BEADMN CCc1nnc(SCC[C@H]2CCCCO2)[nH]1 ZINC000541782492 388868323 /nfs/dbraw/zinc/86/83/23/388868323.db2.gz OGZVTLNKSIZOED-SECBINFHSA-N 0 1 241.360 2.418 20 0 BEADMN CCc1n[nH]c(SCC[C@H]2CCCCO2)n1 ZINC000541782492 388868328 /nfs/dbraw/zinc/86/83/28/388868328.db2.gz OGZVTLNKSIZOED-SECBINFHSA-N 0 1 241.360 2.418 20 0 BEADMN CC(C)OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC000254949760 388868551 /nfs/dbraw/zinc/86/85/51/388868551.db2.gz IRBHUHNWEFFQAD-VXGBXAGGSA-N 0 1 241.331 2.058 20 0 BEADMN CC(C)[C@@H]1N(C(=O)c2cnc[nH]2)CC12CC=CC2 ZINC000649143177 388869476 /nfs/dbraw/zinc/86/94/76/388869476.db2.gz UVESNLTZFQZYMY-LBPRGKRZSA-N 0 1 245.326 2.227 20 0 BEADMN Cc1ccc2nc([C@@H]3CCCN3C(N)=O)[nH]c2c1 ZINC000564670350 388883678 /nfs/dbraw/zinc/88/36/78/388883678.db2.gz NPQSAPTXPWZKMN-NSHDSACASA-N 0 1 244.298 2.087 20 0 BEADMN CC(C)[C@H]1CC[N@@H+](Cc2ncccc2[O-])C1 ZINC000564757244 388887056 /nfs/dbraw/zinc/88/70/56/388887056.db2.gz CBVZIFQDLXZYHL-NSHDSACASA-N 0 1 220.316 2.265 20 0 BEADMN CC(C)[C@H]1CC[N@H+](Cc2ncccc2[O-])C1 ZINC000564757244 388887053 /nfs/dbraw/zinc/88/70/53/388887053.db2.gz CBVZIFQDLXZYHL-NSHDSACASA-N 0 1 220.316 2.265 20 0 BEADMN Cc1nnc(NC(=O)C2(C)CCCCC2)[nH]1 ZINC000152885748 388890719 /nfs/dbraw/zinc/89/07/19/388890719.db2.gz WHSSGKDSNRVPPI-UHFFFAOYSA-N 0 1 222.292 2.022 20 0 BEADMN CN(Cc1cn(-c2ccccc2)nn1)C(C)(C)C ZINC000564930722 388898648 /nfs/dbraw/zinc/89/86/48/388898648.db2.gz YRIOMOZHBJDXHP-UHFFFAOYSA-N 0 1 244.342 2.498 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000564464827 388876344 /nfs/dbraw/zinc/87/63/44/388876344.db2.gz ZMZUSNDTCMRDAO-GYSYKLTISA-N 0 1 248.326 2.185 20 0 BEADMN C[C@@H]1C[N@@H+](CCCCCF)C[C@]1(C)C(=O)[O-] ZINC000565112649 388916253 /nfs/dbraw/zinc/91/62/53/388916253.db2.gz OFXLSYKNUPTJKX-PWSUYJOCSA-N 0 1 231.311 2.169 20 0 BEADMN CCN(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000153345796 388964875 /nfs/dbraw/zinc/96/48/75/388964875.db2.gz AYSHSOSYXXUQDM-UHFFFAOYSA-N 0 1 246.314 2.033 20 0 BEADMN Cc1[nH]ncc1CNC(=O)[C@H](C)C(C)(C)C ZINC000265269941 388992812 /nfs/dbraw/zinc/99/28/12/388992812.db2.gz VSCNPGNZOFPZIJ-QMMMGPOBSA-N 0 1 223.320 2.017 20 0 BEADMN CC(C)[C@H](O)C1(CNCc2cscn2)CC1 ZINC000271956464 389028065 /nfs/dbraw/zinc/02/80/65/389028065.db2.gz FBTNTRCWWDYJAS-NSHDSACASA-N 0 1 240.372 2.030 20 0 BEADMN c1nc(CN[C@@H]2CCCc3cn[nH]c32)cs1 ZINC000268853577 389005897 /nfs/dbraw/zinc/00/58/97/389005897.db2.gz QHOLWBSWSOZQQE-SNVBAGLBSA-N 0 1 234.328 2.033 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1nccs1)C(C)C ZINC000271341166 389020122 /nfs/dbraw/zinc/02/01/22/389020122.db2.gz CELOAGFVIZARCL-UWVGGRQHSA-N 0 1 228.361 2.465 20 0 BEADMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccncc1 ZINC000271497613 389021002 /nfs/dbraw/zinc/02/10/02/389021002.db2.gz LQXFJXOMIPOZGN-WPRPVWTQSA-N 0 1 248.248 2.046 20 0 BEADMN Cc1nccc(N2CCC[C@H](O)C2)c1Cl ZINC000309023480 132331976 /nfs/dbraw/zinc/33/19/76/132331976.db2.gz WLAOKJOCKLIYJA-VIFPVBQESA-N 0 1 226.707 2.005 20 0 BEADMN C(Sc1nc(C2CC2)n[nH]1)[C@@H]1CCCCO1 ZINC000022887721 533375279 /nfs/dbraw/zinc/37/52/79/533375279.db2.gz DUGPZBABAVKAJW-VIFPVBQESA-N 0 1 239.344 2.343 20 0 BEADMN C(Sc1n[nH]c(C2CC2)n1)[C@@H]1CCCCO1 ZINC000022887721 533375283 /nfs/dbraw/zinc/37/52/83/533375283.db2.gz DUGPZBABAVKAJW-VIFPVBQESA-N 0 1 239.344 2.343 20 0 BEADMN CCC[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000268212396 132191880 /nfs/dbraw/zinc/19/18/80/132191880.db2.gz ZZVLRTVUQYESDK-SNVBAGLBSA-N 0 1 245.330 2.369 20 0 BEADMN Cc1nc(CN2c3ccccc3CC[C@@H]2C)n[nH]1 ZINC000292001202 132218497 /nfs/dbraw/zinc/21/84/97/132218497.db2.gz BTPIODZLFBVLPK-JTQLQIEISA-N 0 1 242.326 2.454 20 0 BEADMN c1nc2c(ncnc2N2CCC3(CCC3)CC2)[nH]1 ZINC000376206005 132288946 /nfs/dbraw/zinc/28/89/46/132288946.db2.gz VFWXHMBZPSPWQL-UHFFFAOYSA-N 0 1 243.314 2.123 20 0 BEADMN Fc1ccc2c(c1)nccc2N1CCO[C@@H]2C[C@@H]21 ZINC000366188794 132457184 /nfs/dbraw/zinc/45/71/84/132457184.db2.gz SFMFQKKRPDOTQM-UONOGXRCSA-N 0 1 244.269 2.351 20 0 BEADMN C[C@@H]1CN(C(=O)CC2CCCCCC2)CCN1 ZINC000156717745 133472254 /nfs/dbraw/zinc/47/22/54/133472254.db2.gz PGZARTXQVQGMCX-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN Cc1ccc(CN2CCOCC3(CC3)C2)c(C)n1 ZINC000335781858 133905181 /nfs/dbraw/zinc/90/51/81/133905181.db2.gz FBRIUXXUIXVCDE-UHFFFAOYSA-N 0 1 246.354 2.311 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@@H](O)C1 ZINC000351956963 134016873 /nfs/dbraw/zinc/01/68/73/134016873.db2.gz DOEMALRJFDUFHX-ZDMBXUJBSA-N 0 1 241.281 2.338 20 0 BEADMN C[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000335944155 134018513 /nfs/dbraw/zinc/01/85/13/134018513.db2.gz LKJSBKDBGXOEFL-JTQLQIEISA-N 0 1 215.300 2.405 20 0 BEADMN C[C@H]1CCN(Cc2nc(-c3ccoc3)no2)C1 ZINC000335946116 134019934 /nfs/dbraw/zinc/01/99/34/134019934.db2.gz DFTVGFPNYWLMJB-VIFPVBQESA-N 0 1 233.271 2.171 20 0 BEADMN COc1ccc2c(c1)CCN([C@H](C)C(N)=O)CC2 ZINC000335971360 134029751 /nfs/dbraw/zinc/02/97/51/134029751.db2.gz GHVNRIIEHLFGFF-SNVBAGLBSA-N 0 1 248.326 2.020 20 0 BEADMN Cc1nccc(N2C[C@@H](C)[C@H](CO)C2)c1Cl ZINC000335974346 134030827 /nfs/dbraw/zinc/03/08/27/134030827.db2.gz HCIXLHIHMIQWTK-SCZZXKLOSA-N 0 1 240.734 2.108 20 0 BEADMN Fc1cccc(CN2CCOCC3(CC3)C2)c1 ZINC000335974936 134030944 /nfs/dbraw/zinc/03/09/44/134030944.db2.gz AEZLMDIXNFLREY-UHFFFAOYSA-N 0 1 235.302 2.438 20 0 BEADMN Cc1ccc(CCN2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000335996143 134041968 /nfs/dbraw/zinc/04/19/68/134041968.db2.gz RMDFDWZYWDCGEA-CQSZACIVSA-N 0 1 232.371 2.173 20 0 BEADMN Fc1ccccc1CN1CC[C@H](n2cccn2)C1 ZINC000336032449 134058723 /nfs/dbraw/zinc/05/87/23/134058723.db2.gz WZRLVXZQMDTFLD-ZDUSSCGKSA-N 0 1 245.301 2.469 20 0 BEADMN O=C(c1cnc[nH]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000336034220 134059170 /nfs/dbraw/zinc/05/91/70/134059170.db2.gz IAYGQKILSIOFTL-CQSZACIVSA-N 0 1 245.326 2.372 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N1[C@H](C)C[C@@H]1C ZINC000336065735 134070418 /nfs/dbraw/zinc/07/04/18/134070418.db2.gz AFQIYQVNANDNDZ-DTORHVGOSA-N 0 1 235.331 2.464 20 0 BEADMN C[C@H]1C[C@@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000352124390 134074963 /nfs/dbraw/zinc/07/49/63/134074963.db2.gz XZLGTZZWZLCBRV-JGVFFNPUSA-N 0 1 227.254 2.416 20 0 BEADMN CCc1nc(CN2Cc3ccc(C)cc3C2)n[nH]1 ZINC000336089858 134077902 /nfs/dbraw/zinc/07/79/02/134077902.db2.gz WHJBPGDISSJVCH-UHFFFAOYSA-N 0 1 242.326 2.191 20 0 BEADMN Cc1ncc(C(=O)N2CCCC3(CCC3)C2)[nH]1 ZINC000352170381 134090825 /nfs/dbraw/zinc/09/08/25/134090825.db2.gz LXQULYXMYKZZQC-UHFFFAOYSA-N 0 1 233.315 2.124 20 0 BEADMN C[C@@H]1CC[S@](=O)CCN1CCC1CCCC1 ZINC000336131715 134094793 /nfs/dbraw/zinc/09/47/93/134094793.db2.gz RIXVNSFBOYJOPL-WBMJQRKESA-N 0 1 243.416 2.410 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@H]3CCC[C@@H]3C2)n[nH]1 ZINC000336137002 134096084 /nfs/dbraw/zinc/09/60/84/134096084.db2.gz XDJDFEPFFJZFLJ-GHMZBOCLSA-N 0 1 248.374 2.334 20 0 BEADMN CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@@H]3C2)n[nH]1 ZINC000336137003 134096101 /nfs/dbraw/zinc/09/61/01/134096101.db2.gz XDJDFEPFFJZFLJ-PHIMTYICSA-N 0 1 248.374 2.334 20 0 BEADMN C[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000336157231 134106055 /nfs/dbraw/zinc/10/60/55/134106055.db2.gz RPNHZQOFENYQDI-LLVKDONJSA-N 0 1 243.310 2.206 20 0 BEADMN Cc1cnc(CN2C[C@H](C)C[C@H](C)C2)nc1 ZINC000336164259 134112230 /nfs/dbraw/zinc/11/22/30/134112230.db2.gz MCXBJQRDJORKMN-PHIMTYICSA-N 0 1 219.332 2.263 20 0 BEADMN Fc1ccc(F)c(SCc2c[nH]nn2)c1 ZINC000336175050 134116903 /nfs/dbraw/zinc/11/69/03/134116903.db2.gz NZINUSLPGMKXOT-UHFFFAOYSA-N 0 1 227.239 2.375 20 0 BEADMN C[C@H]1N(Cc2ccon2)CCC12CCOCC2 ZINC000336180428 134119332 /nfs/dbraw/zinc/11/93/32/134119332.db2.gz MKAWBWRLXKPCJS-LLVKDONJSA-N 0 1 236.315 2.066 20 0 BEADMN CCc1nnc(NC(=O)[C@@]2(C)CCC[C@H]2C)[nH]1 ZINC000336196745 134126013 /nfs/dbraw/zinc/12/60/13/134126013.db2.gz SYBOIDMINRTWPZ-PELKAZGASA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@@]2(C)CCC[C@H]2C)n1 ZINC000336196745 134126014 /nfs/dbraw/zinc/12/60/14/134126014.db2.gz SYBOIDMINRTWPZ-PELKAZGASA-N 0 1 236.319 2.132 20 0 BEADMN C[C@@H]1CO[C@@H](C)CN1CC1CC(F)(F)C1 ZINC000336196251 134126019 /nfs/dbraw/zinc/12/60/19/134126019.db2.gz KAEIYAIVHGUHBF-BDAKNGLRSA-N 0 1 219.275 2.141 20 0 BEADMN CCc1nnc(NC(=O)[C@]2(C)CCC[C@@H]2C)[nH]1 ZINC000336196747 134126415 /nfs/dbraw/zinc/12/64/15/134126415.db2.gz SYBOIDMINRTWPZ-QPUJVOFHSA-N 0 1 236.319 2.132 20 0 BEADMN CCc1n[nH]c(NC(=O)[C@]2(C)CCC[C@@H]2C)n1 ZINC000336196747 134126416 /nfs/dbraw/zinc/12/64/16/134126416.db2.gz SYBOIDMINRTWPZ-QPUJVOFHSA-N 0 1 236.319 2.132 20 0 BEADMN CCN1CCCC[C@@H]1C(=O)NCC(C)(C)C ZINC000171463432 134258685 /nfs/dbraw/zinc/25/86/85/134258685.db2.gz FAIWNHJYVCYEFP-LLVKDONJSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CCC[C@H](CCN(C)Cc2nnc[nH]2)C1 ZINC000177102994 134295369 /nfs/dbraw/zinc/29/53/69/134295369.db2.gz LJCBYCWYQBWUJE-NWDGAFQWSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@@H]1CCC[C@H](CCN(C)Cc2nnc[nH]2)C1 ZINC000177102979 134295389 /nfs/dbraw/zinc/29/53/89/134295389.db2.gz LJCBYCWYQBWUJE-VXGBXAGGSA-N 0 1 236.363 2.453 20 0 BEADMN C[C@@H]1CN(CCN(C)c2ccccc2)[C@H](C)CO1 ZINC000177251205 134296679 /nfs/dbraw/zinc/29/66/79/134296679.db2.gz DRIGFCVQYNIHLH-ZIAGYGMSSA-N 0 1 248.370 2.232 20 0 BEADMN C[C@H]1CCC[C@H](CN(C)Cc2nnc[nH]2)C1 ZINC000179359563 134316586 /nfs/dbraw/zinc/31/65/86/134316586.db2.gz JOPSJYNUIQJZES-QWRGUYRKSA-N 0 1 222.336 2.063 20 0 BEADMN CCCCN(CC)Cc1n[nH]c(C2CC2)n1 ZINC000180401164 134327344 /nfs/dbraw/zinc/32/73/44/134327344.db2.gz JLJLYWXAVLWYNZ-UHFFFAOYSA-N 0 1 222.336 2.304 20 0 BEADMN CC[C@@H]1CCCCN1Cc1n[nH]c(C2CC2)n1 ZINC000180404767 134327424 /nfs/dbraw/zinc/32/74/24/134327424.db2.gz DXKUROBNHRQVRA-LLVKDONJSA-N 0 1 234.347 2.447 20 0 BEADMN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)no1 ZINC000182483898 134345526 /nfs/dbraw/zinc/34/55/26/134345526.db2.gz NEUGJCBYEDRMDV-WCQGTBRESA-N 0 1 235.331 2.389 20 0 BEADMN C[C@H](CC1CC1)NC(=O)c1cnccc1N(C)C ZINC000183617293 134355346 /nfs/dbraw/zinc/35/53/46/134355346.db2.gz KSHJKZHYXUGCOS-SNVBAGLBSA-N 0 1 247.342 2.066 20 0 BEADMN COC(=O)[C@@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000227442376 134380382 /nfs/dbraw/zinc/38/03/82/134380382.db2.gz YRQFYKNPJATLPQ-VXGBXAGGSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)OC(C)(C)C ZINC000185589315 134382158 /nfs/dbraw/zinc/38/21/58/134382158.db2.gz HHXVYVSKLOBKMT-WDEREUQCSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000227535280 134382946 /nfs/dbraw/zinc/38/29/46/134382946.db2.gz UEBYXAWNJAMRQG-IJLUTSLNSA-N 0 1 225.332 2.219 20 0 BEADMN COC(=O)[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000227767645 134393269 /nfs/dbraw/zinc/39/32/69/134393269.db2.gz KYTSNAPKGYMZSW-LYIQGSDWSA-N 0 1 239.359 2.352 20 0 BEADMN CCCCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185935894 134397003 /nfs/dbraw/zinc/39/70/03/134397003.db2.gz AFUTZPDFVMZMNO-ZDUSSCGKSA-N 0 1 226.364 2.297 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)c1c(O)cccc1F ZINC000228836914 134434418 /nfs/dbraw/zinc/43/44/18/134434418.db2.gz JRLMETPSURWWAS-MRVPVSSYSA-N 0 1 237.274 2.402 20 0 BEADMN CCCN(CC(=O)OCC)C[C@@H](C)CC ZINC000050428216 134661774 /nfs/dbraw/zinc/66/17/74/134661774.db2.gz KFRNVZPCOUSIEH-NSHDSACASA-N 0 1 215.337 2.308 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)CCO1 ZINC000248567059 135005066 /nfs/dbraw/zinc/00/50/66/135005066.db2.gz JNVFWYSNUHLMQN-VXGBXAGGSA-N 0 1 227.348 2.055 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)n[nH]1 ZINC000248412124 135006111 /nfs/dbraw/zinc/00/61/11/135006111.db2.gz FCVKOSZJAWXKFZ-XHVZSJERSA-N 0 1 247.342 2.369 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000248584748 135015181 /nfs/dbraw/zinc/01/51/81/135015181.db2.gz VCTZGHKCZARPMC-JHJVBQTASA-N 0 1 241.375 2.443 20 0 BEADMN CCCN(C[C@H](C)OC)[C@H](CC)C(=O)OCC ZINC000248807443 135021657 /nfs/dbraw/zinc/02/16/57/135021657.db2.gz RUDDDBOPZFYSHX-NWDGAFQWSA-N 0 1 245.363 2.075 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1C[C@H](C)C[C@H](C)C1 ZINC000248835193 135022892 /nfs/dbraw/zinc/02/28/92/135022892.db2.gz JNUJMSIWNAGURJ-OUAUKWLOSA-N 0 1 249.362 2.047 20 0 BEADMN C[C@@H](c1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000249000091 135029988 /nfs/dbraw/zinc/02/99/88/135029988.db2.gz MVVDSNMUWPXCHE-ZFWWWQNUSA-N 0 1 247.338 2.239 20 0 BEADMN C[C@@H]1CCC[C@@H](NC(=O)CN(C)C2CC2)[C@H]1C ZINC000249041457 135030337 /nfs/dbraw/zinc/03/03/37/135030337.db2.gz CNLLJMLFFVTVRZ-NTZNESFSSA-N 0 1 238.375 2.022 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CC[C@@H](C)O2)CCO1 ZINC000249033732 135031040 /nfs/dbraw/zinc/03/10/40/135031040.db2.gz FTMBEVDAQDGOPQ-JHJVBQTASA-N 0 1 227.348 2.055 20 0 BEADMN COc1ccc(CCN2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000249054529 135031177 /nfs/dbraw/zinc/03/11/77/135031177.db2.gz LMXAKVGUZDBIJM-QWHCGFSZSA-N 0 1 249.354 2.347 20 0 BEADMN C[C@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000249115666 135033802 /nfs/dbraw/zinc/03/38/02/135033802.db2.gz RQZYUYOFCCZBJS-VXGBXAGGSA-N 0 1 205.301 2.468 20 0 BEADMN C[C@H]1CN(Cc2nc3ccccc3o2)CC[C@H]1O ZINC000249137720 135034621 /nfs/dbraw/zinc/03/46/21/135034621.db2.gz OXMPCCORMOYKOU-CMPLNLGQSA-N 0 1 246.310 2.031 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](C)CC ZINC000251524834 135070680 /nfs/dbraw/zinc/07/06/80/135070680.db2.gz AJGATSOBMSQPBX-VHSXEESVSA-N 0 1 201.310 2.218 20 0 BEADMN C[C@H](N[C@H]1CCCC[C@H]1O)c1nccs1 ZINC000238850479 135078465 /nfs/dbraw/zinc/07/84/65/135078465.db2.gz BUZJDGNTWJABAY-LPEHRKFASA-N 0 1 226.345 2.097 20 0 BEADMN CC[C@H](C)C[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000086438171 135085735 /nfs/dbraw/zinc/08/57/35/135085735.db2.gz BNBFKWFKHCWKEZ-IUCAKERBSA-N 0 1 227.270 2.278 20 0 BEADMN Cc1csc(CN(C)[C@@H]2CCCC[C@H]2O)n1 ZINC000252726266 135102608 /nfs/dbraw/zinc/10/26/08/135102608.db2.gz RULUYCYSJBEUSZ-GHMZBOCLSA-N 0 1 240.372 2.187 20 0 BEADMN C[C@@H](NC[C@@]1(C)CCCO1)c1nccs1 ZINC000087234084 135114781 /nfs/dbraw/zinc/11/47/81/135114781.db2.gz MTKQIICMYADXCG-MWLCHTKSSA-N 0 1 226.345 2.363 20 0 BEADMN c1cncc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266004206 135147026 /nfs/dbraw/zinc/14/70/26/135147026.db2.gz KFRNHQUWIAHHJE-UHFFFAOYSA-N 0 1 246.354 2.474 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000260315139 135148536 /nfs/dbraw/zinc/14/85/36/135148536.db2.gz ZLMLUQRAVWHCAB-SECBINFHSA-N 0 1 241.718 2.287 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000260279924 135148548 /nfs/dbraw/zinc/14/85/48/135148548.db2.gz XWFIYTDWXQELEC-NSHDSACASA-N 0 1 247.338 2.470 20 0 BEADMN CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000261527326 135151297 /nfs/dbraw/zinc/15/12/97/135151297.db2.gz VNMKEDLWHLIOKM-MNOVXSKESA-N 0 1 215.337 2.321 20 0 BEADMN CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000261527244 135151352 /nfs/dbraw/zinc/15/13/52/135151352.db2.gz CYWSAQJJTNZIHU-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)(F)c1nc(C2(N)CCCC2)no1 ZINC000261534308 135167274 /nfs/dbraw/zinc/16/72/74/135167274.db2.gz LZKMUJSNMOPQFZ-UHFFFAOYSA-N 0 1 213.256 2.002 20 0 BEADMN CCC1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000084093925 135185886 /nfs/dbraw/zinc/18/58/86/135185886.db2.gz RPWJADRXFHQGPK-GFCCVEGCSA-N 0 1 225.332 2.060 20 0 BEADMN C[C@@H](c1ccccc1)N1C[C@H](CO)OC(C)(C)C1 ZINC000163799307 135195739 /nfs/dbraw/zinc/19/57/39/135195739.db2.gz HSUZBCDXDCHAIE-GXTWGEPZSA-N 0 1 249.354 2.219 20 0 BEADMN Cc1cnccc1-c1nc(C2(N)CCCC2)no1 ZINC000261557910 135198921 /nfs/dbraw/zinc/19/89/21/135198921.db2.gz CVULOQFQUHAAPH-UHFFFAOYSA-N 0 1 244.298 2.168 20 0 BEADMN C[C@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]2C(=O)[O-])C1 ZINC000084347332 135210044 /nfs/dbraw/zinc/21/00/44/135210044.db2.gz NYDTWRPXVCUGLT-QJPTWQEYSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C(=O)[O-])C2)C1 ZINC000084347474 135211452 /nfs/dbraw/zinc/21/14/52/135211452.db2.gz UEBYXAWNJAMRQG-UTUOFQBUSA-N 0 1 225.332 2.219 20 0 BEADMN CC[C@H]1C[N@@H+](CCCCC(=O)[O-])CCS1 ZINC000164128825 135212842 /nfs/dbraw/zinc/21/28/42/135212842.db2.gz MANMIWNRWDBXKO-JTQLQIEISA-N 0 1 231.361 2.069 20 0 BEADMN NC1(c2noc(C3CCCC3)n2)CCC1 ZINC000261571593 135213733 /nfs/dbraw/zinc/21/37/33/135213733.db2.gz HOKLKNLXDXSSLR-UHFFFAOYSA-N 0 1 207.277 2.065 20 0 BEADMN COc1ccccc1-c1nc(C2(N)CCC2)no1 ZINC000261616113 135244281 /nfs/dbraw/zinc/24/42/81/135244281.db2.gz BIOJFEIMPKUNDI-UHFFFAOYSA-N 0 1 245.282 2.083 20 0 BEADMN CC[C@@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1 ZINC000261757273 135250586 /nfs/dbraw/zinc/25/05/86/135250586.db2.gz XGEWXBASRBJEQO-SMDDNHRTSA-N 0 1 234.343 2.268 20 0 BEADMN CCCC1(c2nc(C3(N)CCC3)no2)CC1 ZINC000261761312 135250847 /nfs/dbraw/zinc/25/08/47/135250847.db2.gz MLIIURXRRDBQIK-UHFFFAOYSA-N 0 1 221.304 2.239 20 0 BEADMN Clc1ccc(Cc2noc([C@H]3CCN3)n2)cc1 ZINC000261814169 135255659 /nfs/dbraw/zinc/25/56/59/135255659.db2.gz QAYWJRVDNCSQGP-SNVBAGLBSA-N 0 1 249.701 2.348 20 0 BEADMN Cc1noc(C)c1-c1nc(C2(N)CCCC2)no1 ZINC000261874376 135258781 /nfs/dbraw/zinc/25/87/81/135258781.db2.gz VOOFZCOBYXFVQA-UHFFFAOYSA-N 0 1 248.286 2.069 20 0 BEADMN NC1(c2noc(Cc3cccc(F)c3)n2)CCC1 ZINC000261957457 135266436 /nfs/dbraw/zinc/26/64/36/135266436.db2.gz OVIINWPILOEYKK-UHFFFAOYSA-N 0 1 247.273 2.137 20 0 BEADMN Fc1cccc(CCSc2cn[nH]n2)c1F ZINC000342532962 135280043 /nfs/dbraw/zinc/28/00/43/135280043.db2.gz VESQYFQTGVGFFJ-UHFFFAOYSA-N 0 1 241.266 2.418 20 0 BEADMN CCCCC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262150454 135282297 /nfs/dbraw/zinc/28/22/97/135282297.db2.gz MXVGYBHOFAIPBU-WCQYABFASA-N 0 1 225.332 2.363 20 0 BEADMN CCC1CC(NCc2ncnn2C(C)(C)C)C1 ZINC000342595564 135300026 /nfs/dbraw/zinc/30/00/26/135300026.db2.gz LNJNUYTWCZPRNP-UHFFFAOYSA-N 0 1 236.363 2.311 20 0 BEADMN CCOC(=O)CN(CCC1CC1)C1CCC1 ZINC000342662269 135308802 /nfs/dbraw/zinc/30/88/02/135308802.db2.gz PHAZXORDKKMTIG-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN Cc1cnc(CN(C)CC2CCCC2)n1C ZINC000342796411 135319483 /nfs/dbraw/zinc/31/94/83/135319483.db2.gz YNBPVEHEWDUYNV-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN Cc1cnc(CN2CCC[C@H](C)[C@H]2C)n1C ZINC000342775389 135327664 /nfs/dbraw/zinc/32/76/64/135327664.db2.gz FNRLIIGGNULFQH-CMPLNLGQSA-N 0 1 221.348 2.349 20 0 BEADMN Cc1ccc(CC[N@H+]([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000263028713 135327830 /nfs/dbraw/zinc/32/78/30/135327830.db2.gz AYXCHXYXSPIQQQ-LBPRGKRZSA-N 0 1 247.338 2.475 20 0 BEADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000263042033 135328793 /nfs/dbraw/zinc/32/87/93/135328793.db2.gz JCTZZUSUWQOMDJ-FRRDWIJNSA-N 0 1 237.343 2.385 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000263042031 135328971 /nfs/dbraw/zinc/32/89/71/135328971.db2.gz JCTZZUSUWQOMDJ-AGIUHOORSA-N 0 1 237.343 2.385 20 0 BEADMN C[C@H]1CC[C@]2(CCN(C(=O)c3cnc[nH]3)C2)C1 ZINC000334226339 135330493 /nfs/dbraw/zinc/33/04/93/135330493.db2.gz FHVHUIAVVONRNR-GWCFXTLKSA-N 0 1 233.315 2.062 20 0 BEADMN Cc1cnc(C[N@H+]2CC[C@@H]3CCC[C@H]32)o1 ZINC000334227182 135330548 /nfs/dbraw/zinc/33/05/48/135330548.db2.gz BEYGXWSVZXGFPO-WDEREUQCSA-N 0 1 206.289 2.357 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263073879 135331449 /nfs/dbraw/zinc/33/14/49/135331449.db2.gz QCWRRGUIYCPPOT-DCAQKATOSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccn(C)n1 ZINC000334273839 135331739 /nfs/dbraw/zinc/33/17/39/135331739.db2.gz ZUBNLMRZVFBBLT-JQWIXIFHSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccccc2)C1 ZINC000263150855 135335836 /nfs/dbraw/zinc/33/58/36/135335836.db2.gz FHWGBVPGBQSBPW-OCCSQVGLSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1ncc(C(=O)N2CC[C@@H]2c2ccccc2)[nH]1 ZINC000334284375 135339265 /nfs/dbraw/zinc/33/92/65/135339265.db2.gz FXHQXAOFGVVONT-CYBMUJFWSA-N 0 1 241.294 2.305 20 0 BEADMN C[C@H](C[N@@H+](C)C[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000263304676 135345163 /nfs/dbraw/zinc/34/51/63/135345163.db2.gz DWKIYXRRGMCBEF-UTUOFQBUSA-N 0 1 227.348 2.465 20 0 BEADMN CCc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000263340994 135348129 /nfs/dbraw/zinc/34/81/29/135348129.db2.gz NLUUZGFSJYONKQ-LLVKDONJSA-N 0 1 235.327 2.402 20 0 BEADMN Cc1ccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000334310182 135350540 /nfs/dbraw/zinc/35/05/40/135350540.db2.gz FYGJWXMQRINGFE-CHWSQXEVSA-N 0 1 246.354 2.160 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000263383022 135350602 /nfs/dbraw/zinc/35/06/02/135350602.db2.gz CGVKJEPNAUMWNF-DRZSPHRISA-N 0 1 233.311 2.195 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc(Cl)c1 ZINC000263395510 135351253 /nfs/dbraw/zinc/35/12/53/135351253.db2.gz GMCOTCNBWYJUHR-VIFPVBQESA-N 0 1 241.718 2.287 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC000263394998 135351276 /nfs/dbraw/zinc/35/12/76/135351276.db2.gz GHEVRVAGCPGGRT-GFCCVEGCSA-N 0 1 245.278 2.482 20 0 BEADMN C[C@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2C(=O)[O-])C1 ZINC000263418094 135352964 /nfs/dbraw/zinc/35/29/64/135352964.db2.gz NYDTWRPXVCUGLT-TUAOUCFPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000263432239 135353472 /nfs/dbraw/zinc/35/34/72/135353472.db2.gz SNHWBQNBNJDCHF-ZJUUUORDSA-N 0 1 239.290 2.334 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000263450651 135355783 /nfs/dbraw/zinc/35/57/83/135355783.db2.gz ZMBCSOSEUXWKKI-HZSPNIEDSA-N 0 1 245.322 2.339 20 0 BEADMN CC(C)CC[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263483113 135357078 /nfs/dbraw/zinc/35/70/78/135357078.db2.gz GSOCFXCCQUHCJY-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)o1 ZINC000263498888 135357406 /nfs/dbraw/zinc/35/74/06/135357406.db2.gz KJGFHJXZGPHICO-SMDDNHRTSA-N 0 1 249.310 2.275 20 0 BEADMN CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263565644 135360409 /nfs/dbraw/zinc/36/04/09/135360409.db2.gz FQVSFHFWNGIMOK-VIFPVBQESA-N 0 1 239.340 2.313 20 0 BEADMN c1ccc(CCN2CCOCC23CC3)cc1 ZINC000334342107 135364431 /nfs/dbraw/zinc/36/44/31/135364431.db2.gz KCNIBAJULWMADX-UHFFFAOYSA-N 0 1 217.312 2.094 20 0 BEADMN CN(C(=O)c1cnc(C2CC2)[nH]1)C1CCCC1 ZINC000334348478 135366831 /nfs/dbraw/zinc/36/68/31/135366831.db2.gz SSXIDLFQVHIEQU-UHFFFAOYSA-N 0 1 233.315 2.302 20 0 BEADMN Cc1nc2c(cccc2C(=O)N2[C@H](C)C[C@H]2C)[nH]1 ZINC000334358425 135371357 /nfs/dbraw/zinc/37/13/57/135371357.db2.gz SNXUGDMJAYJUSQ-RKDXNWHRSA-N 0 1 243.310 2.494 20 0 BEADMN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nccs1 ZINC000334373573 135376074 /nfs/dbraw/zinc/37/60/74/135376074.db2.gz TUFFUDSSNXZBRD-RKDXNWHRSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1nccs1 ZINC000334373573 135376075 /nfs/dbraw/zinc/37/60/75/135376075.db2.gz TUFFUDSSNXZBRD-RKDXNWHRSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nccs1 ZINC000334373572 135376394 /nfs/dbraw/zinc/37/63/94/135376394.db2.gz TUFFUDSSNXZBRD-IUCAKERBSA-N 0 1 239.344 2.279 20 0 BEADMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1nccs1 ZINC000334373572 135376396 /nfs/dbraw/zinc/37/63/96/135376396.db2.gz TUFFUDSSNXZBRD-IUCAKERBSA-N 0 1 239.344 2.279 20 0 BEADMN COc1ccc(CN2CC(C)C2)cc1F ZINC000334386198 135382112 /nfs/dbraw/zinc/38/21/12/135382112.db2.gz NYKPTQJKDOFNOV-UHFFFAOYSA-N 0 1 209.264 2.286 20 0 BEADMN Cc1cccc2ncc(CN3CC(C)C3)n21 ZINC000334394680 135386958 /nfs/dbraw/zinc/38/69/58/135386958.db2.gz BDFVUUFNNZTUBB-UHFFFAOYSA-N 0 1 215.300 2.094 20 0 BEADMN C[C@@H]1C[C@H](C)CN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000334394904 135387291 /nfs/dbraw/zinc/38/72/91/135387291.db2.gz VQPHWFXFMDDYOX-DTWKUNHWSA-N 0 1 233.315 2.158 20 0 BEADMN Cc1nnc(CN(C)[C@@H]2CCC[C@H](C)C2)[nH]1 ZINC000334403401 135391520 /nfs/dbraw/zinc/39/15/20/135391520.db2.gz DUMQFVIXEOQDIC-GXSJLCMTSA-N 0 1 222.336 2.124 20 0 BEADMN C[C@H]1c2ccccc2CN1C(=O)c1ccn[nH]1 ZINC000334410708 135392773 /nfs/dbraw/zinc/39/27/73/135392773.db2.gz KRDBSKBTTZICDU-VIFPVBQESA-N 0 1 227.267 2.127 20 0 BEADMN C[C@@H](C[N@H+]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000334411246 135395460 /nfs/dbraw/zinc/39/54/60/135395460.db2.gz LAQLKVMVUUSGEE-UONOGXRCSA-N 0 1 232.371 2.426 20 0 BEADMN C[C@H]1C[C@H](NCc2c(Cl)cnn2C)CS1 ZINC000334851950 135404979 /nfs/dbraw/zinc/40/49/79/135404979.db2.gz DHSQLDVOCBMKIS-YUMQZZPRSA-N 0 1 245.779 2.057 20 0 BEADMN Cn1cc(Cl)c(CN[C@H]2CCC2(C)C)n1 ZINC000335615961 135417799 /nfs/dbraw/zinc/41/77/99/135417799.db2.gz FHVVPMBIDSQIAZ-JTQLQIEISA-N 0 1 227.739 2.352 20 0 BEADMN Cn1cccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000082267533 135432250 /nfs/dbraw/zinc/43/22/50/135432250.db2.gz UWLBKMLJCQQAMW-UHFFFAOYSA-N 0 1 240.266 2.154 20 0 BEADMN C[C@H]1COCCN1C[C@@H]1CCC(F)(F)C1 ZINC000335035565 135870239 /nfs/dbraw/zinc/87/02/39/135870239.db2.gz PDWBAFQSGDKELS-VHSXEESVSA-N 0 1 219.275 2.143 20 0 BEADMN Cc1n[nH]cc1C1CCN(Cc2ccno2)CC1 ZINC000366950478 135943045 /nfs/dbraw/zinc/94/30/45/135943045.db2.gz FHOAIVIDAHXKAF-UHFFFAOYSA-N 0 1 246.314 2.086 20 0 BEADMN COc1cc([C@@H](C)NCc2cccnc2)ccn1 ZINC000347687162 135999477 /nfs/dbraw/zinc/99/94/77/135999477.db2.gz UDFIXTQVGWBXPY-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN CC(C)n1cc(CN(C)[C@H](C)C2CC2)nn1 ZINC000347653224 136001564 /nfs/dbraw/zinc/00/15/64/136001564.db2.gz QYRQODPKNWLPEX-SNVBAGLBSA-N 0 1 222.336 2.089 20 0 BEADMN CC[C@@H]1C[C@H](C)CN1Cc1cn(C(C)C)nn1 ZINC000347865258 136016451 /nfs/dbraw/zinc/01/64/51/136016451.db2.gz ZLWUWPJHHMYMHD-WCQYABFASA-N 0 1 236.363 2.479 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000335316574 136025267 /nfs/dbraw/zinc/02/52/67/136025267.db2.gz ROYJZQVBGFHZJS-JTQLQIEISA-N 0 1 246.310 2.116 20 0 BEADMN C[C@H](CCC(C)(C)C)C(=O)NCCN1CCC1 ZINC000348038019 136028581 /nfs/dbraw/zinc/02/85/81/136028581.db2.gz JLJKVYUREQTXSD-GFCCVEGCSA-N 0 1 240.391 2.271 20 0 BEADMN CCCC[C@@H](COC)[NH2+]Cc1ncccc1[O-] ZINC000348042354 136029214 /nfs/dbraw/zinc/02/92/14/136029214.db2.gz NAVQHTIQTFBHQO-NSHDSACASA-N 0 1 238.331 2.082 20 0 BEADMN Cc1sccc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000335311910 136030014 /nfs/dbraw/zinc/03/00/14/136030014.db2.gz XHNUPCQKXJVYEM-GZMMTYOYSA-N 0 1 211.330 2.012 20 0 BEADMN CC(C)(NCCF)C(=O)NCC1CCCCC1 ZINC000348073827 136034168 /nfs/dbraw/zinc/03/41/68/136034168.db2.gz NSVLHOHBZBMPDH-UHFFFAOYSA-N 0 1 244.354 2.021 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@H]1C[C@H]1C(F)F ZINC000348162462 136041713 /nfs/dbraw/zinc/04/17/13/136041713.db2.gz TYKXWHCXUDCQNG-YIZRAAEISA-N 0 1 227.258 2.089 20 0 BEADMN Cc1nccnc1[C@H](C)N[C@@H]1C[C@H]1C(F)F ZINC000348162460 136041779 /nfs/dbraw/zinc/04/17/79/136041779.db2.gz TYKXWHCXUDCQNG-DJLDLDEBSA-N 0 1 227.258 2.089 20 0 BEADMN Cc1noc(C)c1CN[C@H]1C[C@H]1C(F)F ZINC000348210283 136044810 /nfs/dbraw/zinc/04/48/10/136044810.db2.gz MKXBMHOHNZPDIP-APPZFPTMSA-N 0 1 216.231 2.035 20 0 BEADMN CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]1CC ZINC000348192977 136049543 /nfs/dbraw/zinc/04/95/43/136049543.db2.gz NDUVONGIXWXZAE-WOPDTQHZSA-N 0 1 225.332 2.203 20 0 BEADMN COC(=O)c1ccoc1CN(C)CC1CCC1 ZINC000348241500 136056475 /nfs/dbraw/zinc/05/64/75/136056475.db2.gz PLEGDJFADNUDIK-UHFFFAOYSA-N 0 1 237.299 2.298 20 0 BEADMN Cn1ccnc1[C@H](N[C@H]1C[C@H]1C(F)F)C1CC1 ZINC000348286177 136058813 /nfs/dbraw/zinc/05/88/13/136058813.db2.gz YBGVMCWNHNMMLR-KXUCPTDWSA-N 0 1 241.285 2.114 20 0 BEADMN OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc2cc[nH]c21 ZINC000335340261 136063317 /nfs/dbraw/zinc/06/33/17/136063317.db2.gz QMRXFGZBYZKWMN-OLZOCXBDSA-N 0 1 248.301 2.073 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1cccc2cc[nH]c21 ZINC000335340261 136063318 /nfs/dbraw/zinc/06/33/18/136063318.db2.gz QMRXFGZBYZKWMN-OLZOCXBDSA-N 0 1 248.301 2.073 20 0 BEADMN Cc1ccncc1CCCN1CCOCC12CC2 ZINC000348352770 136071954 /nfs/dbraw/zinc/07/19/54/136071954.db2.gz LMBIQSKKAYGFIS-UHFFFAOYSA-N 0 1 246.354 2.187 20 0 BEADMN CCN(Cc1cccc2c1OCO2)[C@H]1CCOC1 ZINC000348384068 136074433 /nfs/dbraw/zinc/07/44/33/136074433.db2.gz ZMUWTPSPLVNQPQ-LBPRGKRZSA-N 0 1 249.310 2.026 20 0 BEADMN C[C@H]1CCC(C)(C)N1Cc1nc(C2CC2)nn1C ZINC000335367239 136082007 /nfs/dbraw/zinc/08/20/07/136082007.db2.gz FGFYQUFFZCINOC-JTQLQIEISA-N 0 1 248.374 2.455 20 0 BEADMN CCN1CCN(Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000348551307 136096304 /nfs/dbraw/zinc/09/63/04/136096304.db2.gz UKFVZYJLJQUQFM-SNVBAGLBSA-N 0 1 242.750 2.459 20 0 BEADMN Clc1cccc2c1CN(Cc1c[nH]nn1)CC2 ZINC000335586768 136102149 /nfs/dbraw/zinc/10/21/49/136102149.db2.gz INSWZLMEMZUTKJ-UHFFFAOYSA-N 0 1 248.717 2.016 20 0 BEADMN CC[C@@H]1[C@H](C)CCN1Cc1cnns1 ZINC000335595292 136104567 /nfs/dbraw/zinc/10/45/67/136104567.db2.gz BCGPEBPCWRQCJV-PSASIEDQSA-N 0 1 211.334 2.159 20 0 BEADMN CN(C(=O)[C@](C)(N)c1ccccc1)[C@H]1CC1(C)C ZINC000335563302 136106823 /nfs/dbraw/zinc/10/68/23/136106823.db2.gz NURQVWBFUIIVTL-SWLSCSKDSA-N 0 1 246.354 2.117 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cnns2)C1 ZINC000335570593 136109245 /nfs/dbraw/zinc/10/92/45/136109245.db2.gz NHTYETDFGXXBCI-DTORHVGOSA-N 0 1 211.334 2.016 20 0 BEADMN c1nnsc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000335570566 136109560 /nfs/dbraw/zinc/10/95/60/136109560.db2.gz HUHHENLUGHUISV-NXEZZACHSA-N 0 1 223.345 2.160 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2cnns2)[C@H]1C ZINC000335571668 136109820 /nfs/dbraw/zinc/10/98/20/136109820.db2.gz YCZSAJXHGFPVJB-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H]1CCCN(Cc2cnns2)[C@H]1C ZINC000335571668 136109821 /nfs/dbraw/zinc/10/98/21/136109821.db2.gz YCZSAJXHGFPVJB-IUCAKERBSA-N 0 1 211.334 2.159 20 0 BEADMN C[C@H](C(N)=O)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000335572352 136110071 /nfs/dbraw/zinc/11/00/71/136110071.db2.gz GDKKSTAYMGZWGQ-KOLCDFICSA-N 0 1 228.361 2.129 20 0 BEADMN C[C@H](O)C[C@H]1CCCCCN1Cc1cocn1 ZINC000348639923 136114582 /nfs/dbraw/zinc/11/45/82/136114582.db2.gz FNCSEPGONJDFNQ-WCQYABFASA-N 0 1 238.331 2.190 20 0 BEADMN NC(=O)c1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348710517 136116937 /nfs/dbraw/zinc/11/69/37/136116937.db2.gz CVLJTKSIVPVFLS-UHFFFAOYSA-N 0 1 244.338 2.017 20 0 BEADMN CC[C@]1(C)CCCN(C(=O)C2(N(C)C)CC2)C1 ZINC000669335021 487528709 /nfs/dbraw/zinc/52/87/09/487528709.db2.gz ODZQMPIALBWPOE-CYBMUJFWSA-N 0 1 238.375 2.119 20 0 BEADMN Cc1ccc2nc(CNCc3ccon3)[nH]c2c1 ZINC001647037255 1172753451 /nfs/dbraw/zinc/75/34/51/1172753451.db2.gz RDVITPLABJDUTL-UHFFFAOYSA-N 0 1 242.282 2.149 20 0 BEADMN C=C/C=C/CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001647827602 1172765737 /nfs/dbraw/zinc/76/57/37/1172765737.db2.gz GAFVNPQSORWPAW-AATRIKPKSA-N 0 1 233.315 2.282 20 0 BEADMN C=C/C=C\CC(=O)NCc1cnc(C(C)C)[nH]1 ZINC001647827603 1172766070 /nfs/dbraw/zinc/76/60/70/1172766070.db2.gz GAFVNPQSORWPAW-WAYWQWQTSA-N 0 1 233.315 2.282 20 0 BEADMN C[C@@H](N[C@@H](C)c1cncs1)c1cnn(C)c1 ZINC000163870908 397788220 /nfs/dbraw/zinc/78/82/20/397788220.db2.gz FQKLMPZEGYPROF-BDAKNGLRSA-N 0 1 236.344 2.288 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC000636067321 397742573 /nfs/dbraw/zinc/74/25/73/397742573.db2.gz QNSVCSZDTXLDNL-UHFFFAOYSA-N 0 1 249.358 2.359 20 0 BEADMN CN(CCc1ccccc1)Cc1c[nH]cn1 ZINC000179954284 397855227 /nfs/dbraw/zinc/85/52/27/397855227.db2.gz HLYYUMQSMANYHD-UHFFFAOYSA-N 0 1 215.300 2.084 20 0 BEADMN Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)[O-])C2)cc1 ZINC000554709944 397964975 /nfs/dbraw/zinc/96/49/75/397964975.db2.gz PWHLJCOTNWSQSU-CQSZACIVSA-N 0 1 247.338 2.334 20 0 BEADMN C[C@@H]1CCCN(Cc2cc3n(n2)CCC3)[C@H]1C ZINC000649540570 397933437 /nfs/dbraw/zinc/93/34/37/397933437.db2.gz ZZLMQZZLCZGWEA-NEPJUHHUSA-N 0 1 233.359 2.450 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cc2n(n1)CCC2 ZINC000649550158 397941437 /nfs/dbraw/zinc/94/14/37/397941437.db2.gz DNETUOCWKAAJFA-QWRGUYRKSA-N 0 1 219.332 2.202 20 0 BEADMN Cc1cnc(CN(CCO)C2CCCC2)s1 ZINC000271388094 397966612 /nfs/dbraw/zinc/96/66/12/397966612.db2.gz QQXNDQKQDMDILJ-UHFFFAOYSA-N 0 1 240.372 2.188 20 0 BEADMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CC1(C)CC1 ZINC000650154560 397946096 /nfs/dbraw/zinc/94/60/96/397946096.db2.gz MUKOXGCOOVSWKF-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CC1(C)CC1 ZINC000650154560 397946103 /nfs/dbraw/zinc/94/61/03/397946103.db2.gz MUKOXGCOOVSWKF-IJLUTSLNSA-N 0 1 238.375 2.116 20 0 BEADMN COc1cc(C)ccc1CN(C)[C@H]1CCOC1 ZINC000449022581 397951023 /nfs/dbraw/zinc/95/10/23/397951023.db2.gz JMHSQKBFRZFFGX-ZDUSSCGKSA-N 0 1 235.327 2.224 20 0 BEADMN C[C@H](c1ccco1)N(C[C@@H]1CCC(=O)N1)C1CC1 ZINC000649563504 397952906 /nfs/dbraw/zinc/95/29/06/397952906.db2.gz SFUJDBIMSCQVGN-MNOVXSKESA-N 0 1 248.326 2.084 20 0 BEADMN CC[C@](C)(NC[C@H]1CCCN1C)C(F)(F)F ZINC000649562022 397953024 /nfs/dbraw/zinc/95/30/24/397953024.db2.gz RPPGEUYRLJJKQG-ZJUUUORDSA-N 0 1 238.297 2.401 20 0 BEADMN O=C(c1cc(C2CCCCC2)[nH]n1)N1CCC1 ZINC000270268357 397961301 /nfs/dbraw/zinc/96/13/01/397961301.db2.gz ZTHCRGGMMFVKIO-UHFFFAOYSA-N 0 1 233.315 2.303 20 0 BEADMN CCNC(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433044911 397915842 /nfs/dbraw/zinc/91/58/42/397915842.db2.gz KZAOAGGRDOTLFV-CQSZACIVSA-N 0 1 246.354 2.002 20 0 BEADMN CCOCC(C)(C)NCc1oc(C)nc1C ZINC000382175114 397917870 /nfs/dbraw/zinc/91/78/70/397917870.db2.gz XQYYQXCLINSFJX-UHFFFAOYSA-N 0 1 226.320 2.196 20 0 BEADMN CC[C@H]1CCCCN1C(=O)c1cnc(C)[nH]1 ZINC000264666653 397922845 /nfs/dbraw/zinc/92/28/45/397922845.db2.gz XIWHPANJXYYKNW-JTQLQIEISA-N 0 1 221.304 2.123 20 0 BEADMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)ccn1 ZINC000414617241 397990263 /nfs/dbraw/zinc/99/02/63/397990263.db2.gz KXCVTPZGDQSTDG-NSHDSACASA-N 0 1 246.314 2.486 20 0 BEADMN CO[C@@H](c1nc([C@@H](N)CC(C)C)no1)C1CC1 ZINC000414621327 397994258 /nfs/dbraw/zinc/99/42/58/397994258.db2.gz LZFUHYZCAFNDFM-VHSXEESVSA-N 0 1 239.319 2.213 20 0 BEADMN CO[C@H](c1nc([C@@H](N)CC(C)C)no1)C1CC1 ZINC000414621325 397994606 /nfs/dbraw/zinc/99/46/06/397994606.db2.gz LZFUHYZCAFNDFM-UWVGGRQHSA-N 0 1 239.319 2.213 20 0 BEADMN CC[C@@H](COC)Nc1cc2c(cn1)CCC2 ZINC000354535588 397994897 /nfs/dbraw/zinc/99/48/97/397994897.db2.gz HQVKZIGBSZHTLV-LBPRGKRZSA-N 0 1 220.316 2.407 20 0 BEADMN Cc1cccc(-c2nc(C3(N)CCC3)no2)c1O ZINC000414629633 397997687 /nfs/dbraw/zinc/99/76/87/397997687.db2.gz RHPDZVKOELZHNW-UHFFFAOYSA-N 0 1 245.282 2.089 20 0 BEADMN COC(=O)C1(Cn2c(C)nc3c2CCCC3)CC1 ZINC000596284504 397998985 /nfs/dbraw/zinc/99/89/85/397998985.db2.gz AOEJBHQWCYDHEL-UHFFFAOYSA-N 0 1 248.326 2.024 20 0 BEADMN CCN(CCC1CC1)Cc1cc2n(n1)CCC2 ZINC000649585867 397974951 /nfs/dbraw/zinc/97/49/51/397974951.db2.gz JGMUTRSCZKYDLF-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)c(C)n1C ZINC000647148318 398092949 /nfs/dbraw/zinc/09/29/49/398092949.db2.gz LTLAWGWGWKRQCK-LLVKDONJSA-N 0 1 246.314 2.116 20 0 BEADMN Cc1ccc(CCc2nc([C@H]3CCCN3)no2)o1 ZINC000647148326 398092986 /nfs/dbraw/zinc/09/29/86/398092986.db2.gz LUWSKGUPMZSFBR-LLVKDONJSA-N 0 1 247.298 2.181 20 0 BEADMN Cc1cnc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000355035686 398093367 /nfs/dbraw/zinc/09/33/67/398093367.db2.gz GXUQHNSNBYDSSM-UHTWSYAYSA-N 0 1 248.326 2.030 20 0 BEADMN CCCCOCCN1C[C@H](CC)OC[C@H]1C ZINC000649731304 398071063 /nfs/dbraw/zinc/07/10/63/398071063.db2.gz FWXCGNPUCYGQOI-OLZOCXBDSA-N 0 1 229.364 2.302 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)[C@@H](C)CO1 ZINC000649736100 398077616 /nfs/dbraw/zinc/07/76/16/398077616.db2.gz WKWDKQWKWIGGGA-RVMXOQNASA-N 0 1 227.348 2.053 20 0 BEADMN CC[C@@H]1CN(CCOCC2CCC2)[C@H](C)CO1 ZINC000649736802 398078599 /nfs/dbraw/zinc/07/85/99/398078599.db2.gz JNHOWGDMPQRDAX-TZMCWYRMSA-N 0 1 241.375 2.302 20 0 BEADMN COCC[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285653172 398079705 /nfs/dbraw/zinc/07/97/05/398079705.db2.gz LUUDUAWCHCHTKO-IUCAKERBSA-N 0 1 244.285 2.435 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)Cc1nnnn1C1CC1 ZINC000505460221 398080785 /nfs/dbraw/zinc/08/07/85/398080785.db2.gz ADZFNVRLKZLAIE-CMPLNLGQSA-N 0 1 249.362 2.019 20 0 BEADMN C[C@@H]1CCCC[C@H]1N(C)Cc1nnnn1C1CC1 ZINC000505460224 398080850 /nfs/dbraw/zinc/08/08/50/398080850.db2.gz ADZFNVRLKZLAIE-ZYHUDNBSSA-N 0 1 249.362 2.019 20 0 BEADMN CC[N@@H+](Cc1cnccc1C)[C@@H]1CCCOC1 ZINC000649755598 398086676 /nfs/dbraw/zinc/08/66/76/398086676.db2.gz RULIRHZIEVKDLH-CQSZACIVSA-N 0 1 234.343 2.391 20 0 BEADMN CC[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)OC ZINC000185791201 398091447 /nfs/dbraw/zinc/09/14/47/398091447.db2.gz OTBXPSTVBKZLIP-AWEZNQCLSA-N 0 1 247.338 2.386 20 0 BEADMN CC[C@@H]1C[C@H](C)CC[C@@H]1NCC(F)(F)CO ZINC000184710507 398052243 /nfs/dbraw/zinc/05/22/43/398052243.db2.gz JSYDWYSHBFLVBO-MXWKQRLJSA-N 0 1 235.318 2.418 20 0 BEADMN CC(C)CNCc1nc(C2CCCC2)no1 ZINC000062743531 1172777272 /nfs/dbraw/zinc/77/72/72/1172777272.db2.gz URSAEBBCYGBVIB-UHFFFAOYSA-N 0 1 223.320 2.473 20 0 BEADMN CN[C@@H](C)c1cn(CCCC(C)(C)C)nn1 ZINC000309230572 398116449 /nfs/dbraw/zinc/11/64/49/398116449.db2.gz DJYLONXBRFHVDV-JTQLQIEISA-N 0 1 224.352 2.385 20 0 BEADMN COc1ncccc1CN(C)C1CCC1 ZINC000193360939 398110597 /nfs/dbraw/zinc/11/05/97/398110597.db2.gz DFFNGQKJNONYGE-UHFFFAOYSA-N 0 1 206.289 2.075 20 0 BEADMN C[C@@H]1CC[C@H](CN2C[C@@H](C)OCC23CCC3)O1 ZINC000649821883 398123641 /nfs/dbraw/zinc/12/36/41/398123641.db2.gz SJYBRRMEKALPPS-JHJVBQTASA-N 0 1 239.359 2.197 20 0 BEADMN CC(C)COCCN1C[C@H](C)OCC12CCC2 ZINC000649821292 398122423 /nfs/dbraw/zinc/12/24/23/398122423.db2.gz CUKJBUMRYAITAO-ZDUSSCGKSA-N 0 1 241.375 2.302 20 0 BEADMN CC(C)COCCN1C[C@@H](C)OCC12CCC2 ZINC000649821291 398122580 /nfs/dbraw/zinc/12/25/80/398122580.db2.gz CUKJBUMRYAITAO-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN CC/C=C/CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000296388410 398123030 /nfs/dbraw/zinc/12/30/30/398123030.db2.gz JZVURHUUMFDPJL-BXXZLRJFSA-N 0 1 205.305 2.445 20 0 BEADMN C[C@@H]1CC[C@@H](CN2C[C@@H](C)OCC23CCC3)O1 ZINC000649821884 398123359 /nfs/dbraw/zinc/12/33/59/398123359.db2.gz SJYBRRMEKALPPS-UPJWGTAASA-N 0 1 239.359 2.197 20 0 BEADMN CC[C@H](O)CCN[C@@H](C)c1csc(C)n1 ZINC000158868130 171561285 /nfs/dbraw/zinc/56/12/85/171561285.db2.gz HJNXZYVNJJPOEP-WPRPVWTQSA-N 0 1 228.361 2.263 20 0 BEADMN CC(C)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000082791351 167028980 /nfs/dbraw/zinc/02/89/80/167028980.db2.gz DIIJOHQBWKXXJI-UHFFFAOYSA-N 0 1 219.284 2.151 20 0 BEADMN NCc1nccnc1N1CCC2(CCCC2)CC1 ZINC000062951176 1172794460 /nfs/dbraw/zinc/79/44/60/1172794460.db2.gz DZIUDWZMIGUIDO-UHFFFAOYSA-N 0 1 246.358 2.096 20 0 BEADMN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1csnn1 ZINC000398252645 322867907 /nfs/dbraw/zinc/86/79/07/322867907.db2.gz XKRGFIROXKZBBC-QCLAVDOMSA-N 0 1 223.345 2.377 20 0 BEADMN CC(C)NC(=O)CNCc1cc(Cl)cs1 ZINC000086332368 167059154 /nfs/dbraw/zinc/05/91/54/167059154.db2.gz MFQXOSQCSQEWCI-UHFFFAOYSA-N 0 1 246.763 2.016 20 0 BEADMN CC[C@@]1(C)CCCN(C(=O)C2(N(C)C)CC2)C1 ZINC000669335022 487528991 /nfs/dbraw/zinc/52/89/91/487528991.db2.gz ODZQMPIALBWPOE-ZDUSSCGKSA-N 0 1 238.375 2.119 20 0 BEADMN c1cnc([C@@H]2CCCCN2CC2CC2)nc1 ZINC001648212678 1172812164 /nfs/dbraw/zinc/81/21/64/1172812164.db2.gz XIUFKDYUFKJTTR-LBPRGKRZSA-N 0 1 217.316 2.414 20 0 BEADMN COCCN(C)Cc1cc(F)cc(F)c1 ZINC000127101808 174280291 /nfs/dbraw/zinc/28/02/91/174280291.db2.gz ZNMLQIDVQVNFGA-UHFFFAOYSA-N 0 1 215.243 2.043 20 0 BEADMN CC[C@@H](C)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000085494641 1172823425 /nfs/dbraw/zinc/82/34/25/1172823425.db2.gz FESDFOBAKKSWCS-ZJUUUORDSA-N 0 1 215.337 2.447 20 0 BEADMN CC[C@H](C)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000085494643 1172823688 /nfs/dbraw/zinc/82/36/88/1172823688.db2.gz FESDFOBAKKSWCS-UWVGGRQHSA-N 0 1 215.337 2.447 20 0 BEADMN COCC[C@@H](C)N(C)Cc1cc(OC)ns1 ZINC001648429988 1172831393 /nfs/dbraw/zinc/83/13/93/1172831393.db2.gz ZPOIGQRTBRHWKY-SECBINFHSA-N 0 1 244.360 2.009 20 0 BEADMN C[C@@H]1CCC(F)(F)CN1Cc1cnc[nH]1 ZINC001648598470 1172852967 /nfs/dbraw/zinc/85/29/67/1172852967.db2.gz OYTRXQNBUPNVTG-MRVPVSSYSA-N 0 1 215.247 2.029 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227820515 487560435 /nfs/dbraw/zinc/56/04/35/487560435.db2.gz RDVZUKMRKIGFSD-HTQZYQBOSA-N 0 1 239.237 2.124 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227820510 487560600 /nfs/dbraw/zinc/56/06/00/487560600.db2.gz RDVZUKMRKIGFSD-SFYZADRCSA-N 0 1 239.237 2.124 20 0 BEADMN CN(Cc1cc(F)ccc1F)C[C@@H](O)C1CC1 ZINC000674315129 487560607 /nfs/dbraw/zinc/56/06/07/487560607.db2.gz YBBVNZFKBWAULP-CYBMUJFWSA-N 0 1 241.281 2.168 20 0 BEADMN Clc1cnccc1N[C@H]1CCN(C2CC2)C1 ZINC000086833139 487561259 /nfs/dbraw/zinc/56/12/59/487561259.db2.gz KLYSLPQPKKFGDJ-VIFPVBQESA-N 0 1 237.734 2.384 20 0 BEADMN COC(=O)c1cc(CN2CCCC2)cs1 ZINC000261095342 322885057 /nfs/dbraw/zinc/88/50/57/322885057.db2.gz WRJGNTYRIBHUAW-UHFFFAOYSA-N 0 1 225.313 2.131 20 0 BEADMN Cc1ccc2[nH]nnc2c1NC(=O)c1ccoc1 ZINC001648721383 1172867960 /nfs/dbraw/zinc/86/79/60/1172867960.db2.gz NTRILOIXIQKWIW-UHFFFAOYSA-N 0 1 242.238 2.112 20 0 BEADMN CC(C)OC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049856060 167158452 /nfs/dbraw/zinc/15/84/52/167158452.db2.gz JBNJGKBXQDYDFL-QWHCGFSZSA-N 0 1 239.359 2.450 20 0 BEADMN c1coc(CN2CC(C3CCOCC3)C2)c1 ZINC000669715312 487567016 /nfs/dbraw/zinc/56/70/16/487567016.db2.gz CYKSRIYGHXGGHD-UHFFFAOYSA-N 0 1 221.300 2.138 20 0 BEADMN CCC(CC)C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000383016475 487576097 /nfs/dbraw/zinc/57/60/97/487576097.db2.gz FPYWGBAFKDHUHX-SECBINFHSA-N 0 1 213.321 2.360 20 0 BEADMN Cc1ncc(CN[C@@H](CO)CCC(C)(C)C)o1 ZINC001651001804 1172913951 /nfs/dbraw/zinc/91/39/51/1172913951.db2.gz XHCSBUJSLZKZHD-LLVKDONJSA-N 0 1 240.347 2.260 20 0 BEADMN CC(C)OCCN(Cc1ccncc1)C1CC1 ZINC000122353269 167228019 /nfs/dbraw/zinc/22/80/19/167228019.db2.gz HYXMQBGASPNHAZ-UHFFFAOYSA-N 0 1 234.343 2.471 20 0 BEADMN Cc1c[nH]nc1CN(C)C[C@@H]1CC1(C)C ZINC000668814871 487582509 /nfs/dbraw/zinc/58/25/09/487582509.db2.gz XBDFFZKLTNSKFK-JTQLQIEISA-N 0 1 207.321 2.196 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228075329 487582724 /nfs/dbraw/zinc/58/27/24/487582724.db2.gz ADWRKTSXQWBLNP-AAEUAGOBSA-N 0 1 234.343 2.300 20 0 BEADMN Cc1ccc([C@H](N)C(=O)NC[C@H](C)C2CC2)cc1 ZINC000228083666 487583215 /nfs/dbraw/zinc/58/32/15/487583215.db2.gz BHTNXWGETCHGOF-FZMZJTMJSA-N 0 1 246.354 2.157 20 0 BEADMN CCCCC(=O)Nc1cccc2[nH]nnc21 ZINC000074852739 487584954 /nfs/dbraw/zinc/58/49/54/487584954.db2.gz WFVFVCCIVOFACY-UHFFFAOYSA-N 0 1 218.260 2.087 20 0 BEADMN CC(C)OCCSc1nc(C2CC2)n[nH]1 ZINC000121908630 167251724 /nfs/dbraw/zinc/25/17/24/167251724.db2.gz ZZGJPBJBIYUJOV-UHFFFAOYSA-N 0 1 227.333 2.199 20 0 BEADMN CC(C)OCCSc1n[nH]c(C2CC2)n1 ZINC000121908630 167251727 /nfs/dbraw/zinc/25/17/27/167251727.db2.gz ZZGJPBJBIYUJOV-UHFFFAOYSA-N 0 1 227.333 2.199 20 0 BEADMN O=C(NCCC[C@H]1C=CCC1)c1[nH]ncc1F ZINC001651304218 1172942155 /nfs/dbraw/zinc/94/21/55/1172942155.db2.gz BLBSDQORITYYPI-VIFPVBQESA-N 0 1 237.278 2.025 20 0 BEADMN Cc1cc(CNc2ccc3c[nH]nc3c2)n(C)n1 ZINC001651474746 1172953692 /nfs/dbraw/zinc/95/36/92/1172953692.db2.gz DIGWCCWOEZIXFZ-UHFFFAOYSA-N 0 1 241.298 2.217 20 0 BEADMN CC(C)O[C@@H]1C[C@H](NCc2cc[nH]n2)C1(C)C ZINC000361238162 167281242 /nfs/dbraw/zinc/28/12/42/167281242.db2.gz SIOBFOVLFCHGQV-NWDGAFQWSA-N 0 1 237.347 2.091 20 0 BEADMN CC(C)O[C@H]1C[C@H](NCc2cocn2)C1(C)C ZINC000361025116 167282823 /nfs/dbraw/zinc/28/28/23/167282823.db2.gz JIFLMLJEVMGVKF-RYUDHWBXSA-N 0 1 238.331 2.356 20 0 BEADMN CC(C)(C)c1nsc(Nc2c[nH]cn2)n1 ZINC000685917348 487595713 /nfs/dbraw/zinc/59/57/13/487595713.db2.gz OPXFIQQBCITVGZ-UHFFFAOYSA-N 0 1 223.305 2.302 20 0 BEADMN O=c1oc2ccc(CNC/C=C\Cl)cc2o1 ZINC001651651177 1172970087 /nfs/dbraw/zinc/97/00/87/1172970087.db2.gz CVIREHUXBZRWKN-RJRFIUFISA-N 0 1 239.658 2.228 20 0 BEADMN CCC[C@H]1CCCCN1C(=O)[C@H](C)N(C)C ZINC000680463888 487599735 /nfs/dbraw/zinc/59/97/35/487599735.db2.gz ASWDZWVGGDUUHJ-RYUDHWBXSA-N 0 1 226.364 2.118 20 0 BEADMN CCC[C@H](CC)NC(=O)c1ccc(CN)o1 ZINC000087047067 487600749 /nfs/dbraw/zinc/60/07/49/487600749.db2.gz FUHKCQLPRRTKAV-VIFPVBQESA-N 0 1 224.304 2.047 20 0 BEADMN CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)[C@H](C)C1 ZINC000305977426 487605248 /nfs/dbraw/zinc/60/52/48/487605248.db2.gz RHOFRKZURXMTSP-BXUZGUMPSA-N 0 1 235.327 2.392 20 0 BEADMN O=c1ccnc(O[C@H]2CCC=CCCC2)[nH]1 ZINC001226326324 974858987 /nfs/dbraw/zinc/85/89/87/974858987.db2.gz JOYXGTCJMMCKAA-JTQLQIEISA-N 0 1 220.272 2.450 20 0 BEADMN CCn1nnc(C)c1CN(C)C[C@H]1CC1(C)C ZINC000662344790 409656272 /nfs/dbraw/zinc/65/62/72/409656272.db2.gz TUWJJTNJVBORKY-LLVKDONJSA-N 0 1 236.363 2.084 20 0 BEADMN CO[C@@H]1C[C@@H](NCc2coc(C)n2)C12CCC2 ZINC000660780173 409738093 /nfs/dbraw/zinc/73/80/93/409738093.db2.gz ZMAUUWYNERQPEC-VXGBXAGGSA-N 0 1 236.315 2.030 20 0 BEADMN CC(C)CC[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232566537 487611023 /nfs/dbraw/zinc/61/10/23/487611023.db2.gz BQUOKUMEGNBVNO-CYBMUJFWSA-N 0 1 227.348 2.465 20 0 BEADMN NCc1ccc(C(=O)NCCCC2CCC2)o1 ZINC000662664558 409821836 /nfs/dbraw/zinc/82/18/36/409821836.db2.gz CJDYUJONHGAQJB-UHFFFAOYSA-N 0 1 236.315 2.048 20 0 BEADMN CC[C@H](C)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000308790541 409906206 /nfs/dbraw/zinc/90/62/06/409906206.db2.gz COJDSUIGFLNWQV-HBNTYKKESA-N 0 1 213.321 2.075 20 0 BEADMN Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000660848909 409861052 /nfs/dbraw/zinc/86/10/52/409861052.db2.gz RNNXFGGTCMOLFR-SNVBAGLBSA-N 0 1 247.298 2.277 20 0 BEADMN Fc1ccc(Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000071396689 409973977 /nfs/dbraw/zinc/97/39/77/409973977.db2.gz IMUJYUIQNCQDLL-LLVKDONJSA-N 0 1 247.273 2.224 20 0 BEADMN C[C@H](O)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000658364306 409986999 /nfs/dbraw/zinc/98/69/99/409986999.db2.gz ZNXJTWMMRQEARK-MJVIPROJSA-N 0 1 245.326 2.182 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C1CCC1)[C@@H]1C=CCCC1 ZINC000573267996 410065009 /nfs/dbraw/zinc/06/50/09/410065009.db2.gz WMVWORUXPJFVBY-GHMZBOCLSA-N 0 1 223.316 2.423 20 0 BEADMN C[C@@H](COCC1CC1)NCc1ccco1 ZINC000651981371 410120546 /nfs/dbraw/zinc/12/05/46/410120546.db2.gz JZYWJKBCVBKKAH-JTQLQIEISA-N 0 1 209.289 2.184 20 0 BEADMN Cc1ccc(CCN(C)Cc2c[nH]cn2)cc1 ZINC000661088502 410157595 /nfs/dbraw/zinc/15/75/95/410157595.db2.gz KAZFOUYWHLKKCJ-UHFFFAOYSA-N 0 1 229.327 2.393 20 0 BEADMN CN(Cc1ccncc1)Cc1ccc(CO)cc1 ZINC000133203523 410205357 /nfs/dbraw/zinc/20/53/57/410205357.db2.gz MYTKIGAWNRUVAJ-UHFFFAOYSA-N 0 1 242.322 2.206 20 0 BEADMN C[C@H]1C[C@@H]1CNc1cnn(-c2ccncc2)c1 ZINC000683109461 487614353 /nfs/dbraw/zinc/61/43/53/487614353.db2.gz FLZLBSGYBZFQDK-WDEREUQCSA-N 0 1 228.299 2.335 20 0 BEADMN Cn1nccc1CN1CCC(c2ccco2)CC1 ZINC000661161864 410313038 /nfs/dbraw/zinc/31/30/38/410313038.db2.gz ZXQQUTXSNZHXME-UHFFFAOYSA-N 0 1 245.326 2.393 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1CCC2 ZINC000650790102 410437648 /nfs/dbraw/zinc/43/76/48/410437648.db2.gz YSEQTBUSKOZKRR-JTQLQIEISA-N 0 1 233.311 2.080 20 0 BEADMN Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cs1 ZINC000650796217 410443512 /nfs/dbraw/zinc/44/35/12/410443512.db2.gz OFASSYVJUBYAPY-LDYMZIIASA-N 0 1 239.340 2.494 20 0 BEADMN CC(C)CCC[N@H+]1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794953 410443758 /nfs/dbraw/zinc/44/37/58/410443758.db2.gz LREWMKUHWISFNU-QWRGUYRKSA-N 0 1 213.321 2.360 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCC(C)(C)C ZINC000650795024 410444161 /nfs/dbraw/zinc/44/41/61/410444161.db2.gz NMTMLQSLRNAMHN-NXEZZACHSA-N 0 1 213.321 2.360 20 0 BEADMN CN[C@@H](C)c1cn(C2CCCCC2)nn1 ZINC000309028691 487617383 /nfs/dbraw/zinc/61/73/83/487617383.db2.gz ZXACRCHPLIGRLV-VIFPVBQESA-N 0 1 208.309 2.064 20 0 BEADMN CC(C)(C)CC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000062935752 166565317 /nfs/dbraw/zinc/56/53/17/166565317.db2.gz CCUBBQIXBIUCLG-LBPRGKRZSA-N 0 1 213.321 2.219 20 0 BEADMN FC1(F)CC[C@@H](N[C@@H]2CCn3ccnc32)C1 ZINC000393527007 410745967 /nfs/dbraw/zinc/74/59/67/410745967.db2.gz XYOQARJSTZEYRC-RKDXNWHRSA-N 0 1 227.258 2.105 20 0 BEADMN FC1(F)CC[C@H](N[C@@H]2CCn3ccnc32)C1 ZINC000393526893 410746009 /nfs/dbraw/zinc/74/60/09/410746009.db2.gz XYOQARJSTZEYRC-DTWKUNHWSA-N 0 1 227.258 2.105 20 0 BEADMN CC(C)=CCCN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661540173 410739962 /nfs/dbraw/zinc/73/99/62/410739962.db2.gz ZBGCOUMHIDBUAM-VXGBXAGGSA-N 0 1 209.333 2.500 20 0 BEADMN C[C@H]1COC2(CCC2)CN1CCOCC1CC1 ZINC000661467824 410686491 /nfs/dbraw/zinc/68/64/91/410686491.db2.gz SPHBPSQODNGQCC-LBPRGKRZSA-N 0 1 239.359 2.056 20 0 BEADMN COc1ncc(CN[C@H]2CSC2(C)C)s1 ZINC000393822601 410764422 /nfs/dbraw/zinc/76/44/22/410764422.db2.gz ADWDKCOQXZFFIE-QMMMGPOBSA-N 0 1 244.385 2.135 20 0 BEADMN CC(C)C[C@@]1(C)CCCN1C(=O)[C@H](C)N(C)C ZINC000651115798 410814160 /nfs/dbraw/zinc/81/41/60/410814160.db2.gz PGRAXCKBNKGYQU-GXTWGEPZSA-N 0 1 240.391 2.364 20 0 BEADMN CC(C)CC[C@@H](NCc1ncn(C)n1)C1CC1 ZINC000310244267 166895786 /nfs/dbraw/zinc/89/57/86/166895786.db2.gz UZTNSWCGIPCDBH-GFCCVEGCSA-N 0 1 236.363 2.120 20 0 BEADMN CC1=NN(Cc2ccccc2)C(=O)[C@H]1C ZINC000103294594 410888219 /nfs/dbraw/zinc/88/82/19/410888219.db2.gz PUDBHVVROOMYIV-VIFPVBQESA-N 0 1 202.257 2.041 20 0 BEADMN Cc1[nH]n(Cc2ccccc2)c(=O)c1C ZINC000103294594 410888224 /nfs/dbraw/zinc/88/82/24/410888224.db2.gz PUDBHVVROOMYIV-VIFPVBQESA-N 0 1 202.257 2.041 20 0 BEADMN Cc1[nH]n(-c2ccc(F)cc2F)c(=O)c1C ZINC000103294560 410888931 /nfs/dbraw/zinc/88/89/31/410888931.db2.gz GBJBBJAFRMYDSU-LURJTMIESA-N 0 1 224.210 2.323 20 0 BEADMN CCCC(C)(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000651265143 410892130 /nfs/dbraw/zinc/89/21/30/410892130.db2.gz FQYHWPBKRVUNBI-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN O=C1[C@@H]2CCCCCC2=NN1c1ccncc1 ZINC000103463657 410897781 /nfs/dbraw/zinc/89/77/81/410897781.db2.gz XFQSAJURMAQKGX-LLVKDONJSA-N 0 1 229.283 2.365 20 0 BEADMN O=c1c2c([nH]n1-c1ccncc1)CCCCC2 ZINC000103463657 410897789 /nfs/dbraw/zinc/89/77/89/410897789.db2.gz XFQSAJURMAQKGX-LLVKDONJSA-N 0 1 229.283 2.365 20 0 BEADMN CC(C)CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340477033 167011694 /nfs/dbraw/zinc/01/16/94/167011694.db2.gz WHVQMMYNACVBIY-ZDUSSCGKSA-N 0 1 248.305 2.279 20 0 BEADMN CC(C)N1CC[C@H](Nc2ncncc2Cl)C1 ZINC000302675496 167029019 /nfs/dbraw/zinc/02/90/19/167029019.db2.gz UFTVLCWJSSLINO-VIFPVBQESA-N 0 1 240.738 2.025 20 0 BEADMN CC(C)OCCN(C)[C@H](C)c1ccccn1 ZINC000177896877 167228869 /nfs/dbraw/zinc/22/88/69/167228869.db2.gz WKLFGEFNZGQIGA-GFCCVEGCSA-N 0 1 222.332 2.499 20 0 BEADMN CC(C)OCCN[C@@H](C)c1ccc(F)cn1 ZINC000134092375 167245261 /nfs/dbraw/zinc/24/52/61/167245261.db2.gz AJMRKMFFSUPMOE-JTQLQIEISA-N 0 1 226.295 2.296 20 0 BEADMN CC(C)OC[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000337304774 167258912 /nfs/dbraw/zinc/25/89/12/167258912.db2.gz QVDFIXCLXUOIEJ-VXGBXAGGSA-N 0 1 241.331 2.106 20 0 BEADMN CC(C)OC[C@H](O)CN1Cc2ccccc2[C@H]1C ZINC000336691647 167268986 /nfs/dbraw/zinc/26/89/86/167268986.db2.gz BDASKXJSKOKUBH-TZMCWYRMSA-N 0 1 249.354 2.349 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CCOc2ccccc21 ZINC000294086352 167278662 /nfs/dbraw/zinc/27/86/62/167278662.db2.gz LTSMFYRSSIEUFE-LLVKDONJSA-N 0 1 235.283 2.009 20 0 BEADMN CC(C)ONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000295713844 167278719 /nfs/dbraw/zinc/27/87/19/167278719.db2.gz PSCJFVVZGMSPRT-GFCCVEGCSA-N 0 1 247.294 2.203 20 0 BEADMN CC(C)O[C@@H]1C[C@@H](NCc2ccon2)C1(C)C ZINC000361235688 167281862 /nfs/dbraw/zinc/28/18/62/167281862.db2.gz DUCNGNPPHCWGKC-VXGBXAGGSA-N 0 1 238.331 2.356 20 0 BEADMN CC(C)SCCSc1cn[nH]n1 ZINC000282301525 167334225 /nfs/dbraw/zinc/33/42/25/167334225.db2.gz XFCOQIUIGWUZOO-UHFFFAOYSA-N 0 1 203.336 2.038 20 0 BEADMN CC(C)[C@@H](C)CNC(=O)[C@@H](N)c1ccccc1 ZINC000081060688 167359989 /nfs/dbraw/zinc/35/99/89/167359989.db2.gz GPQKIPFPHBBCJY-AAEUAGOBSA-N 0 1 234.343 2.095 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](CO)CC2CCC2)c2nccn21 ZINC000651340560 410924370 /nfs/dbraw/zinc/92/43/70/410924370.db2.gz ZCVOXTVFIZPFDB-RTXFEEFZSA-N 0 1 249.358 2.030 20 0 BEADMN CC[C@H](N[C@@H](C)CCCCO)C(F)F ZINC000651364362 410952880 /nfs/dbraw/zinc/95/28/80/410952880.db2.gz RINOBQRHTNNDKM-IUCAKERBSA-N 0 1 209.280 2.171 20 0 BEADMN OC[C@@H](CCF)NCc1ccc(F)cc1Cl ZINC000652018631 410991578 /nfs/dbraw/zinc/99/15/78/410991578.db2.gz YHVXJMRKGGVABR-SNVBAGLBSA-N 0 1 249.688 2.289 20 0 BEADMN CN(CCC(C)(C)C)C(=O)c1cnccc1N ZINC000399729582 411060697 /nfs/dbraw/zinc/06/06/97/411060697.db2.gz JIALXUMBOFLJHZ-UHFFFAOYSA-N 0 1 235.331 2.002 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H]2CCC[C@H]2O)c(C)s1 ZINC000651498359 411072688 /nfs/dbraw/zinc/07/26/88/411072688.db2.gz GSOTYEKEWYQWEK-AVPPRXQKSA-N 0 1 240.372 2.324 20 0 BEADMN Cc1nc([C@@H](C)N[C@@H](CO)CCF)c(C)s1 ZINC000652032782 411084222 /nfs/dbraw/zinc/08/42/22/411084222.db2.gz ZOTUUWRWGTYEHE-GMSGAONNSA-N 0 1 246.351 2.131 20 0 BEADMN CCC1CN(Cc2cnc3ccccn23)C1 ZINC000651610224 411129792 /nfs/dbraw/zinc/12/97/92/411129792.db2.gz JNHVWVWTLLEJBG-UHFFFAOYSA-N 0 1 215.300 2.176 20 0 BEADMN COC[C@@H](CC(C)(C)C)NCc1ccon1 ZINC000651728931 411139396 /nfs/dbraw/zinc/13/93/96/411139396.db2.gz QGDIXDNRFDBCQS-LLVKDONJSA-N 0 1 226.320 2.215 20 0 BEADMN CCCCN(CC(N)=O)Cc1ccccc1C ZINC000045805606 411148970 /nfs/dbraw/zinc/14/89/70/411148970.db2.gz STNBUJISDKUZDQ-UHFFFAOYSA-N 0 1 234.343 2.082 20 0 BEADMN CC[C@@H](C(=O)[O-])[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000655931725 411158889 /nfs/dbraw/zinc/15/88/89/411158889.db2.gz OPWOBGAUWPVQHF-NSHDSACASA-N 0 1 241.237 2.144 20 0 BEADMN CCN(Cc1cncs1)[C@H]1CCCOC1 ZINC000651948861 411159951 /nfs/dbraw/zinc/15/99/51/411159951.db2.gz YLGOXXOECXCMSN-JTQLQIEISA-N 0 1 226.345 2.144 20 0 BEADMN CCn1nccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652063419 411103239 /nfs/dbraw/zinc/10/32/39/411103239.db2.gz LSVAOAOGDZSVNY-LLVKDONJSA-N 0 1 241.285 2.134 20 0 BEADMN CCn1nccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652063420 411103406 /nfs/dbraw/zinc/10/34/06/411103406.db2.gz LSVAOAOGDZSVNY-NSHDSACASA-N 0 1 241.285 2.134 20 0 BEADMN CCCCCNC(=O)[C@@H]1NCCc2ccccc21 ZINC000043512312 411120853 /nfs/dbraw/zinc/12/08/53/411120853.db2.gz XKVUDUJDAZRUCW-CQSZACIVSA-N 0 1 246.354 2.180 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)CCC1CCCC1 ZINC000300743421 411125947 /nfs/dbraw/zinc/12/59/47/411125947.db2.gz IZDBHTDPDAOSNW-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN Cc1cncc(CN[C@@H]2CCCn3nccc32)c1 ZINC000657935266 411172612 /nfs/dbraw/zinc/17/26/12/411172612.db2.gz INMJUQJDEAPMDW-CYBMUJFWSA-N 0 1 242.326 2.211 20 0 BEADMN C[C@@H]1C[C@H](C)[N@@H+](CCCCCC(=O)[O-])C1 ZINC000123858714 411177008 /nfs/dbraw/zinc/17/70/08/411177008.db2.gz KXUOIESZWWDHIR-MNOVXSKESA-N 0 1 213.321 2.362 20 0 BEADMN Cc1nc(CN2CCCC[C@@H]2CCO)c(C)o1 ZINC000659879474 411177209 /nfs/dbraw/zinc/17/72/09/411177209.db2.gz UOGHACUTIFPMLG-GFCCVEGCSA-N 0 1 238.331 2.028 20 0 BEADMN O=C([O-])C[N@@H+](C[C@H]1CC=CCC1)C1CCC1 ZINC000656100948 411178421 /nfs/dbraw/zinc/17/84/21/411178421.db2.gz GQSACFREUQSTER-NSHDSACASA-N 0 1 223.316 2.282 20 0 BEADMN C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1C(=O)[O-] ZINC000309793889 411248196 /nfs/dbraw/zinc/24/81/96/411248196.db2.gz UXFZOBFBUFAQCB-MNOVXSKESA-N 0 1 225.332 2.219 20 0 BEADMN c1cc(CN2CCC[C@H](OC3CCC3)C2)on1 ZINC000653816453 411191620 /nfs/dbraw/zinc/19/16/20/411191620.db2.gz ZHHIQDDKZBZFRB-LBPRGKRZSA-N 0 1 236.315 2.208 20 0 BEADMN C[C@H](N[C@@H](CO)CCF)c1cc(F)ccc1F ZINC000652306545 411196326 /nfs/dbraw/zinc/19/63/26/411196326.db2.gz XRISXIAPSKXCMS-WCBMZHEXSA-N 0 1 247.260 2.336 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000402133665 411197480 /nfs/dbraw/zinc/19/74/80/411197480.db2.gz FMPGUDGMDDWCCX-MNOVXSKESA-N 0 1 211.305 2.138 20 0 BEADMN CC[C@H](NCc1ccon1)[C@@H]1CCCCO1 ZINC000653872884 411203437 /nfs/dbraw/zinc/20/34/37/411203437.db2.gz HURUOFCMNVRLTC-RYUDHWBXSA-N 0 1 224.304 2.112 20 0 BEADMN Cc1ncc(C[N@H+](CCC(=O)[O-])C(C)C)s1 ZINC000062337004 411205174 /nfs/dbraw/zinc/20/51/74/411205174.db2.gz BSIPZDOAFVPPQW-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000658028651 411205427 /nfs/dbraw/zinc/20/54/27/411205427.db2.gz LGHGZIGUWPKIOL-RYUDHWBXSA-N 0 1 249.358 2.265 20 0 BEADMN Cc1ccncc1CN[C@H]1CCCn2nccc21 ZINC000658029699 411206808 /nfs/dbraw/zinc/20/68/08/411206808.db2.gz LJNRGHHILDEAKJ-ZDUSSCGKSA-N 0 1 242.326 2.211 20 0 BEADMN CN(CC1CC1)C(=O)c1cccc2c[nH]nc21 ZINC000048704869 411211277 /nfs/dbraw/zinc/21/12/77/411211277.db2.gz GCTNTGABBUVTHM-UHFFFAOYSA-N 0 1 229.283 2.045 20 0 BEADMN C[C@H](O)CN(Cc1nc2ccccc2o1)C1CC1 ZINC000653896257 411213544 /nfs/dbraw/zinc/21/35/44/411213544.db2.gz OMDIVVDEIQJQGV-JTQLQIEISA-N 0 1 246.310 2.173 20 0 BEADMN C[C@@H]1C[C@H](NC2CC(C)(C)C2)c2ncnn21 ZINC000658102103 411246408 /nfs/dbraw/zinc/24/64/08/411246408.db2.gz NZDOPDHWYSBWPY-SCZZXKLOSA-N 0 1 220.320 2.062 20 0 BEADMN CC(C)(C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000048766885 411216672 /nfs/dbraw/zinc/21/66/72/411216672.db2.gz OAGXMQDEJAGYES-UHFFFAOYSA-N 0 1 235.262 2.230 20 0 BEADMN Cc1ccc(CN[C@H](CO)c2ccsc2)cn1 ZINC000349568493 411216775 /nfs/dbraw/zinc/21/67/75/411216775.db2.gz LYQPVIQPTOWCDF-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CC1(C(=O)[O-])CC1 ZINC000652367188 411220091 /nfs/dbraw/zinc/22/00/91/411220091.db2.gz WYXRNOAHYUSNQS-AOOOYVTPSA-N 0 1 211.305 2.114 20 0 BEADMN CC[C@@H](N[C@@H]1COC(C)(C)C1)c1nccn1C ZINC000658056411 411222261 /nfs/dbraw/zinc/22/22/61/411222261.db2.gz BHSLVPXEWONAGT-WDEREUQCSA-N 0 1 237.347 2.028 20 0 BEADMN Cc1n[nH]cc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000656272562 411222922 /nfs/dbraw/zinc/22/29/22/411222922.db2.gz XUFMZJRLSBUHJC-CQSZACIVSA-N 0 1 249.358 2.252 20 0 BEADMN Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC000049252899 411229500 /nfs/dbraw/zinc/22/95/00/411229500.db2.gz POVJFYURSZTEPJ-JOYOIKCWSA-N 0 1 235.331 2.369 20 0 BEADMN Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)n[nH]1 ZINC000049252908 411229773 /nfs/dbraw/zinc/22/97/73/411229773.db2.gz POVJFYURSZTEPJ-SKDRFNHKSA-N 0 1 235.331 2.369 20 0 BEADMN CC(C)CCN(C)[C@@H](C(N)=O)c1ccccc1 ZINC000049237393 411229873 /nfs/dbraw/zinc/22/98/73/411229873.db2.gz JMHXTDQBXYWQQQ-CYBMUJFWSA-N 0 1 234.343 2.191 20 0 BEADMN CC(C)C[C@H](C(=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC000652416109 411235580 /nfs/dbraw/zinc/23/55/80/411235580.db2.gz IBAAWXSTTCYVTD-LLVKDONJSA-N 0 1 225.332 2.362 20 0 BEADMN CC/C(C)=C/C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000295520165 167823952 /nfs/dbraw/zinc/82/39/52/167823952.db2.gz RYEXRJATYHTSIV-MXMFLMJRSA-N 0 1 233.315 2.260 20 0 BEADMN CC[C@@H](COCC1CC1)N[C@@H](C)c1cnccn1 ZINC000658090421 411240382 /nfs/dbraw/zinc/24/03/82/411240382.db2.gz IVELYDZSKAFEHA-AAEUAGOBSA-N 0 1 249.358 2.332 20 0 BEADMN CC(C)(C)Cn1cc([C@H](N)c2ccccc2)nn1 ZINC000656454208 411261709 /nfs/dbraw/zinc/26/17/09/411261709.db2.gz LOMIJBKXGLOCBC-CYBMUJFWSA-N 0 1 244.342 2.372 20 0 BEADMN CC/C=C\CC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652513470 411262635 /nfs/dbraw/zinc/26/26/35/411262635.db2.gz BKCOSIYKBHDPFM-RSNNXLNZSA-N 0 1 237.343 2.385 20 0 BEADMN O=C([O-])[C@@H]1C[N@@H+](CC2=CCCC2)C[C@H]1C1CC1 ZINC000652513911 411262760 /nfs/dbraw/zinc/26/27/60/411262760.db2.gz MLVROGNJULSCLG-QWHCGFSZSA-N 0 1 235.327 2.139 20 0 BEADMN CC1(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1 ZINC000652513664 411263141 /nfs/dbraw/zinc/26/31/41/411263141.db2.gz GOLANJMYLDDGIS-NWDGAFQWSA-N 0 1 237.343 2.219 20 0 BEADMN CC(C)(C)n1cc([C@@H](N)c2ccccc2)nn1 ZINC000656454785 411263462 /nfs/dbraw/zinc/26/34/62/411263462.db2.gz LMRRGPTXJLCHSA-LBPRGKRZSA-N 0 1 230.315 2.081 20 0 BEADMN Cc1cc([C@@H](C)NC/C=C\CO)oc1C ZINC000658138522 411263854 /nfs/dbraw/zinc/26/38/54/411263854.db2.gz NULXJHMXAIXBOK-UMCURTJPSA-N 0 1 209.289 2.096 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1nsc2ccccc21 ZINC000660148253 411263905 /nfs/dbraw/zinc/26/39/05/411263905.db2.gz JITCBTGZTUDVMC-VHSXEESVSA-N 0 1 248.351 2.251 20 0 BEADMN C[C@H]1CCCC[C@]1(C)n1cc(CNC2CC2)nn1 ZINC000656458599 411267758 /nfs/dbraw/zinc/26/77/58/411267758.db2.gz BXKUGJNOEBXTNZ-FZMZJTMJSA-N 0 1 248.374 2.455 20 0 BEADMN CC1(C)C[C@@H]1NCc1cc2n(n1)CCCC2 ZINC000655714776 411268266 /nfs/dbraw/zinc/26/82/66/411268266.db2.gz DCNCCQADIBINJB-LBPRGKRZSA-N 0 1 219.332 2.108 20 0 BEADMN CCNCc1cn([C@@]2(C)CCCC[C@@H]2C)nn1 ZINC000656459167 411269035 /nfs/dbraw/zinc/26/90/35/411269035.db2.gz PZNOOLVEMUAKFR-AAEUAGOBSA-N 0 1 236.363 2.313 20 0 BEADMN CC[C@H](c1ccccc1F)n1cc(CNC)nn1 ZINC000656461202 411270664 /nfs/dbraw/zinc/27/06/64/411270664.db2.gz WRULSAHBYSMYHM-CYBMUJFWSA-N 0 1 248.305 2.136 20 0 BEADMN C[C@@H]1CN(Cc2cc(C3CC3)no2)[C@H](C)CN1C ZINC000660163896 411273585 /nfs/dbraw/zinc/27/35/85/411273585.db2.gz BEAXUWQVSYKMHT-GHMZBOCLSA-N 0 1 249.358 2.076 20 0 BEADMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccco1 ZINC000658164739 411277285 /nfs/dbraw/zinc/27/72/85/411277285.db2.gz GXGGSFHKSXTLRJ-PSASIEDQSA-N 0 1 231.242 2.354 20 0 BEADMN CCn1cc(CN[C@@H](C)C(C)(C)C(F)F)nn1 ZINC000658176390 411282806 /nfs/dbraw/zinc/28/28/06/411282806.db2.gz JNXCQVCEWCFELP-QMMMGPOBSA-N 0 1 246.305 2.067 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCCc1ccsc1 ZINC000659791296 411283199 /nfs/dbraw/zinc/28/31/99/411283199.db2.gz RFLGXXVESJSYHW-SNVBAGLBSA-N 0 1 241.356 2.476 20 0 BEADMN C[C@H]1CCC[N@@H+](CCCCCC(=O)[O-])C1 ZINC000070652387 411284782 /nfs/dbraw/zinc/28/47/82/411284782.db2.gz YWGOLVXUWCPPDR-NSHDSACASA-N 0 1 213.321 2.363 20 0 BEADMN O=C([O-])[C@]12C[N@@H+](CCCCF)C[C@H]1CCCC2 ZINC000659798860 411289183 /nfs/dbraw/zinc/28/91/83/411289183.db2.gz TYECTOCPWQZQEU-DGCLKSJQSA-N 0 1 243.322 2.313 20 0 BEADMN Cc1cc([C@H](C)NCCc2ccoc2)no1 ZINC000658203718 411292297 /nfs/dbraw/zinc/29/22/97/411292297.db2.gz YTWFWPLRWPLCJC-JTQLQIEISA-N 0 1 220.272 2.469 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000659801611 411292556 /nfs/dbraw/zinc/29/25/56/411292556.db2.gz JEBLUBBDXJBIRK-GFCCVEGCSA-N 0 1 237.343 2.363 20 0 BEADMN O=C([O-])C1(C[N@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000659801612 411292574 /nfs/dbraw/zinc/29/25/74/411292574.db2.gz JEBLUBBDXJBIRK-LBPRGKRZSA-N 0 1 237.343 2.363 20 0 BEADMN C[C@@H](NC[C@]1(C)CC1(F)F)c1nccn1C ZINC000658216381 411296612 /nfs/dbraw/zinc/29/66/12/411296612.db2.gz BDBHEBLJEJJGSV-SCZZXKLOSA-N 0 1 229.274 2.116 20 0 BEADMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccn(C)n1 ZINC000658216356 411296722 /nfs/dbraw/zinc/29/67/22/411296722.db2.gz RIJQQKRCCWSNAL-GRYCIOLGSA-N 0 1 237.347 2.028 20 0 BEADMN CCn1ccc(CN[C@@H]2CC[C@H](C)SC2)n1 ZINC000655777676 411297044 /nfs/dbraw/zinc/29/70/44/411297044.db2.gz WCNFWKBOPOLXDA-CMPLNLGQSA-N 0 1 239.388 2.277 20 0 BEADMN FC(F)C1CN(Cc2ccc3nc[nH]c3c2)C1 ZINC000656690943 411330432 /nfs/dbraw/zinc/33/04/32/411330432.db2.gz RWDVAHCHXRLRGS-UHFFFAOYSA-N 0 1 237.253 2.260 20 0 BEADMN CCC/C=C/c1nc([C@@H]2CCCN2)no1 ZINC000656560541 411303823 /nfs/dbraw/zinc/30/38/23/411303823.db2.gz APKZFUMNRIMAIB-IYNCYZAOSA-N 0 1 207.277 2.307 20 0 BEADMN CC1(C)CC[C@H]1c1nc(C2(N)CCC2)no1 ZINC000656560517 411304810 /nfs/dbraw/zinc/30/48/10/411304810.db2.gz AAQXERSWLAUBOM-QMMMGPOBSA-N 0 1 221.304 2.311 20 0 BEADMN CC[C@H]1CCCCN1Cc1cc(OC)no1 ZINC000659826667 411309109 /nfs/dbraw/zinc/30/91/09/411309109.db2.gz JVTHMXYLXHPPJS-JTQLQIEISA-N 0 1 224.304 2.448 20 0 BEADMN CCc1nnc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)[nH]1 ZINC000659828053 411310278 /nfs/dbraw/zinc/31/02/78/411310278.db2.gz DLOOJCXBPFXAMG-MXWKQRLJSA-N 0 1 236.363 2.406 20 0 BEADMN CCc1nc([C@H](C)N2CCC(C)CC2)n[nH]1 ZINC000659829344 411312740 /nfs/dbraw/zinc/31/27/40/411312740.db2.gz QQBZCXPWRPBLGO-JTQLQIEISA-N 0 1 222.336 2.160 20 0 BEADMN CC/C=C\CNCc1cc2n(n1)CCCC2 ZINC000655778071 411313425 /nfs/dbraw/zinc/31/34/25/411313425.db2.gz AAHNDFLDNNSSPL-HYXAFXHYSA-N 0 1 219.332 2.275 20 0 BEADMN Cc1ncccc1CN1CC2(CC(F)C2)C1 ZINC000656693818 411331668 /nfs/dbraw/zinc/33/16/68/411331668.db2.gz DNBWYHFBQYLDMJ-UHFFFAOYSA-N 0 1 220.291 2.324 20 0 BEADMN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1nccs1 ZINC000658251466 411314224 /nfs/dbraw/zinc/31/42/24/411314224.db2.gz HKGQXDQZMNJOSW-GUBZILKMSA-N 0 1 238.356 2.097 20 0 BEADMN CO[C@@H](CN[C@@H](C)c1cnccn1)C1CCCC1 ZINC000658316685 411331798 /nfs/dbraw/zinc/33/17/98/411331798.db2.gz RUERACXAVZIHCY-FZMZJTMJSA-N 0 1 249.358 2.332 20 0 BEADMN C[C@@H](NCC1=CCCC1)c1nccn1C ZINC000658291410 411324378 /nfs/dbraw/zinc/32/43/78/411324378.db2.gz ONSGNXZFPWSUBP-SNVBAGLBSA-N 0 1 205.305 2.181 20 0 BEADMN CC[C@H](C)C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467650 411249396 /nfs/dbraw/zinc/24/93/96/411249396.db2.gz GSANAJGEDZGISO-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cc(CN(C)[C@H]2CCSC2)nc(C)n1 ZINC000660128868 411249520 /nfs/dbraw/zinc/24/95/20/411249520.db2.gz NYVKIWWMEVAHEP-LBPRGKRZSA-N 0 1 237.372 2.031 20 0 BEADMN Cc1ncccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000652467529 411249529 /nfs/dbraw/zinc/24/95/29/411249529.db2.gz BIPIBRNQHDVTMD-UHFFFAOYSA-N 0 1 248.326 2.077 20 0 BEADMN CC(C)[N@H+](CCC(=O)[O-])CC[C@H]1CCCCO1 ZINC000652477708 411251696 /nfs/dbraw/zinc/25/16/96/411251696.db2.gz IHUFCLKTUNXCNI-GFCCVEGCSA-N 0 1 243.347 2.131 20 0 BEADMN O=C([O-])C[N@@H+](CCCF)C1CCCCC1 ZINC000652482885 411252862 /nfs/dbraw/zinc/25/28/62/411252862.db2.gz ZEKCHQKPGROSKE-UHFFFAOYSA-N 0 1 217.284 2.065 20 0 BEADMN CC(C)c1cccc(CN(C)[C@@H]2CCNC2=O)c1 ZINC000660134909 411252907 /nfs/dbraw/zinc/25/29/07/411252907.db2.gz UINMYJCHTGBBFK-CQSZACIVSA-N 0 1 246.354 2.130 20 0 BEADMN CC(C)[N@@H+](CCCOC(C)(C)C)CCC(=O)[O-] ZINC000652478595 411253468 /nfs/dbraw/zinc/25/34/68/411253468.db2.gz MCXWASIDEXNZSL-UHFFFAOYSA-N 0 1 245.363 2.377 20 0 BEADMN CCC[C@@H](CN[C@H]1CCCn2ccnc21)OC ZINC000655772569 411254829 /nfs/dbraw/zinc/25/48/29/411254829.db2.gz YVSSXFKRYMOQOG-RYUDHWBXSA-N 0 1 237.347 2.123 20 0 BEADMN CCC[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488163 411255667 /nfs/dbraw/zinc/25/56/67/411255667.db2.gz HYZCTAAJRFAKHC-UHFFFAOYSA-N 0 1 219.284 2.153 20 0 BEADMN O=C([O-])c1cccc2c1C[N@@H+](CCCF)CC2 ZINC000652488347 411256499 /nfs/dbraw/zinc/25/64/99/411256499.db2.gz PCABJNONKLTLRS-UHFFFAOYSA-N 0 1 237.274 2.103 20 0 BEADMN CC1(C)C[C@@]1(C)N[C@H]1CCn2ccnc21 ZINC000658300269 411326768 /nfs/dbraw/zinc/32/67/68/411326768.db2.gz CQQPFRMJPWMOJN-JOYOIKCWSA-N 0 1 205.305 2.106 20 0 BEADMN C[C@H](C[N@@H+](CC1=CCCC1)C1CC1)C(=O)[O-] ZINC000652488864 411257287 /nfs/dbraw/zinc/25/72/87/411257287.db2.gz QFJXFVQDNQDJQV-SNVBAGLBSA-N 0 1 223.316 2.282 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)ccn1 ZINC000652492088 411257445 /nfs/dbraw/zinc/25/74/45/411257445.db2.gz WLODJDLXGTZRBF-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN Cc1cc(CN[C@H]2CC[C@H](C)SC2)no1 ZINC000655706968 411257454 /nfs/dbraw/zinc/25/74/54/411257454.db2.gz PXSAISQRJISAPL-UWVGGRQHSA-N 0 1 226.345 2.357 20 0 BEADMN COc1cc(CN2CCC3(CC3)CC2)on1 ZINC000660144578 411259017 /nfs/dbraw/zinc/25/90/17/411259017.db2.gz HNCOCJZPVIFLKO-UHFFFAOYSA-N 0 1 222.288 2.059 20 0 BEADMN C[C@H]1COCCCN1Cc1ccc2c(n1)CCC2 ZINC000656441876 411260544 /nfs/dbraw/zinc/26/05/44/411260544.db2.gz AJABLABZUKPIBB-LBPRGKRZSA-N 0 1 246.354 2.181 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]1CCCC1CCC1 ZINC000656756143 411351032 /nfs/dbraw/zinc/35/10/32/411351032.db2.gz ZVFXGPJAYZOWBA-NSHDSACASA-N 0 1 211.305 2.116 20 0 BEADMN C[C@@H](C[N@@H+](C)CCCC1CCC1)C(=O)[O-] ZINC000656754667 411351638 /nfs/dbraw/zinc/35/16/38/411351638.db2.gz ASPNHGWEOOPESP-JTQLQIEISA-N 0 1 213.321 2.219 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H]3COC[C@H]3C2)o1 ZINC000662036480 411351672 /nfs/dbraw/zinc/35/16/72/411351672.db2.gz RWEVYZOAAQQOEF-SDDRHHMPSA-N 0 1 236.315 2.012 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCC2CCC2)C1 ZINC000656756951 411353323 /nfs/dbraw/zinc/35/33/23/411353323.db2.gz PBAAVKVMDOFIEO-CYBMUJFWSA-N 0 1 225.332 2.363 20 0 BEADMN Cc1ccc2c(c1)C[N@@H+]([C@H](C(=O)[O-])C1CC1)CC2 ZINC000656758305 411353417 /nfs/dbraw/zinc/35/34/17/411353417.db2.gz FCRFIXKMOHKCHA-AWEZNQCLSA-N 0 1 245.322 2.216 20 0 BEADMN CC1(CO)CN(Cc2nccc3ccccc32)C1 ZINC000656775787 411357191 /nfs/dbraw/zinc/35/71/91/411357191.db2.gz AUYYQBFCDUZFGP-UHFFFAOYSA-N 0 1 242.322 2.049 20 0 BEADMN COCC1(C)CN(Cc2[nH]nc3ccccc32)C1 ZINC000656779513 411358897 /nfs/dbraw/zinc/35/88/97/411358897.db2.gz VIGISHJDDXNADH-UHFFFAOYSA-N 0 1 245.326 2.031 20 0 BEADMN Cc1ccnc(NCc2cn(C)nn2)c1C1CC1 ZINC000656778865 411358962 /nfs/dbraw/zinc/35/89/62/411358962.db2.gz DNLCNRGBXQWFDB-UHFFFAOYSA-N 0 1 243.314 2.008 20 0 BEADMN CCC[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656768408 411363270 /nfs/dbraw/zinc/36/32/70/411363270.db2.gz XYRFULUWPWUKKM-SDDRHHMPSA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H]1C[C@H](c2cccnc2)N(Cc2cn[nH]c2)C1 ZINC000660278588 411364510 /nfs/dbraw/zinc/36/45/10/411364510.db2.gz OIIFHVFGEIDASI-SMDDNHRTSA-N 0 1 242.326 2.388 20 0 BEADMN C1CCC(c2nc([C@@H]3CCCN3)no2)C1 ZINC000070947140 411370621 /nfs/dbraw/zinc/37/06/21/411370621.db2.gz IWOKMFOJXZQSSC-VIFPVBQESA-N 0 1 207.277 2.152 20 0 BEADMN CC(C)(C)Cc1nc([C@@H]2CCCN2)no1 ZINC000070947036 411370762 /nfs/dbraw/zinc/37/07/62/411370762.db2.gz RAKAKQGBPQUJAE-QMMMGPOBSA-N 0 1 209.293 2.083 20 0 BEADMN Cc1ccoc1-c1nc([C@@H]2CCCN2)no1 ZINC000070947041 411370838 /nfs/dbraw/zinc/37/08/38/411370838.db2.gz SCVQMHDWNMKYFR-QMMMGPOBSA-N 0 1 219.244 2.063 20 0 BEADMN c1cc(CCCN2CCn3cncc3C2)cs1 ZINC000660582548 411336515 /nfs/dbraw/zinc/33/65/15/411336515.db2.gz VXWHLDYWYBBMTC-UHFFFAOYSA-N 0 1 247.367 2.393 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000656713488 411338644 /nfs/dbraw/zinc/33/86/44/411338644.db2.gz UMBUKZBPAMAPGN-AWEZNQCLSA-N 0 1 246.354 2.269 20 0 BEADMN CCOC1(C)CN(Cc2[nH]nc3ccccc32)C1 ZINC000656736108 411340502 /nfs/dbraw/zinc/34/05/02/411340502.db2.gz GYYUGZOSDYVFRS-UHFFFAOYSA-N 0 1 245.326 2.174 20 0 BEADMN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000658334866 411343448 /nfs/dbraw/zinc/34/34/48/411343448.db2.gz VZSKUVYPDMNVDR-JLLWLGSASA-N 0 1 209.289 2.416 20 0 BEADMN CC1(C)[C@H](NCc2cscn2)[C@H]2CCO[C@H]21 ZINC000227073446 168006370 /nfs/dbraw/zinc/00/63/70/168006370.db2.gz SJVYTOMOWDTVSI-GMTAPVOTSA-N 0 1 238.356 2.046 20 0 BEADMN Cc1occc1CN(C)CCO[C@H]1CC1(F)F ZINC000659854291 411345326 /nfs/dbraw/zinc/34/53/26/411345326.db2.gz XGHYVBAQXHCAAK-NSHDSACASA-N 0 1 245.269 2.444 20 0 BEADMN CC1(C)[C@H](NCc2cscn2)[C@@H]2CCO[C@@H]21 ZINC000082944461 168014588 /nfs/dbraw/zinc/01/45/88/168014588.db2.gz SJVYTOMOWDTVSI-AXFHLTTASA-N 0 1 238.356 2.046 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](CC2CC2)[C@H]2CCCC[C@H]12 ZINC000656763430 411346175 /nfs/dbraw/zinc/34/61/75/411346175.db2.gz FNYLHAXSNDWJOM-UPJWGTAASA-N 0 1 237.343 2.362 20 0 BEADMN CC1(CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000280068026 168019841 /nfs/dbraw/zinc/01/98/41/168019841.db2.gz PPWZWHGZZIHUBB-UHFFFAOYSA-N 0 1 243.310 2.483 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CCF)C1 ZINC000656762303 411346840 /nfs/dbraw/zinc/34/68/40/411346840.db2.gz CIMDSQJHWGJHGY-GHMZBOCLSA-N 0 1 231.311 2.311 20 0 BEADMN CCCN(CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659856971 411347235 /nfs/dbraw/zinc/34/72/35/411347235.db2.gz IUCJVCVQCLELOD-VIFPVBQESA-N 0 1 210.325 2.160 20 0 BEADMN CC1(CNC(=O)[C@H](N)c2ccccc2)CCCC1 ZINC000111622304 168035338 /nfs/dbraw/zinc/03/53/38/168035338.db2.gz QKWZMJJWQKZRIN-CYBMUJFWSA-N 0 1 246.354 2.383 20 0 BEADMN CC1(CNCc2sccc2Cl)OCCO1 ZINC000193199664 168044401 /nfs/dbraw/zinc/04/44/01/168044401.db2.gz ZLVDEMONZUJDLG-UHFFFAOYSA-N 0 1 247.747 2.254 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662201857 411377237 /nfs/dbraw/zinc/37/72/37/411377237.db2.gz VFWIFLHMTRPGNY-RVMXOQNASA-N 0 1 237.343 2.219 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C2=C(C)CCC2)n[nH]1 ZINC000333338049 168078396 /nfs/dbraw/zinc/07/83/96/168078396.db2.gz ZPHZAIMLCUTSHM-JTQLQIEISA-N 0 1 247.342 2.266 20 0 BEADMN CC1=C(C)CN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000280805060 168085516 /nfs/dbraw/zinc/08/55/16/168085516.db2.gz SLYYTBFBNAWLOE-CQSZACIVSA-N 0 1 244.338 2.255 20 0 BEADMN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1nnc[nH]1 ZINC000191074505 168102157 /nfs/dbraw/zinc/10/21/57/168102157.db2.gz VXBFXEZHMLBRDA-VXGBXAGGSA-N 0 1 234.347 2.229 20 0 BEADMN CC1=CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000336331519 168108455 /nfs/dbraw/zinc/10/84/55/168108455.db2.gz JZSAZSUOWHYHLT-UHFFFAOYSA-N 0 1 241.294 2.355 20 0 BEADMN CC1=CCN(CCNC(=O)C2=CCCCC2)CC1 ZINC000355792176 168110104 /nfs/dbraw/zinc/11/01/04/168110104.db2.gz JLKZELCXQJPXDS-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC1=CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000339661417 168117912 /nfs/dbraw/zinc/11/79/12/168117912.db2.gz VIIDFTMSPVALIK-CYBMUJFWSA-N 0 1 238.375 2.189 20 0 BEADMN CC1CCC(N(C)C(=O)c2cnc[nH]2)CC1 ZINC000299676234 168157382 /nfs/dbraw/zinc/15/73/82/168157382.db2.gz UDNZWGDRSPKQLO-UHFFFAOYSA-N 0 1 221.304 2.060 20 0 BEADMN CC1CCN(CC(=O)NC2(C)CCCC2)CC1 ZINC000354471166 168178386 /nfs/dbraw/zinc/17/83/86/168178386.db2.gz WSPLZUDSERAGIQ-UHFFFAOYSA-N 0 1 238.375 2.167 20 0 BEADMN CC1CN(Cc2ccc3c(n2)CCC3)C1 ZINC000334729263 168191303 /nfs/dbraw/zinc/19/13/03/168191303.db2.gz ZRJMWMKQXJNKFM-UHFFFAOYSA-N 0 1 202.301 2.022 20 0 BEADMN CC[C@H](O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000247807483 411390865 /nfs/dbraw/zinc/39/08/65/411390865.db2.gz TVIVOPPWNYTMBF-QEJZJMRPSA-N 0 1 249.354 2.219 20 0 BEADMN CC(C)[C@H](C)c1nc([C@@H]2CCCN2)no1 ZINC000069690941 411383881 /nfs/dbraw/zinc/38/38/81/411383881.db2.gz OCUHXJAOZCKSGN-IUCAKERBSA-N 0 1 209.293 2.254 20 0 BEADMN Cn1cnc(CN2CCc3ccccc3CC2)c1 ZINC000659933714 411386267 /nfs/dbraw/zinc/38/62/67/411386267.db2.gz JAHYBVAOGLBMBY-UHFFFAOYSA-N 0 1 241.338 2.021 20 0 BEADMN CCC(C)(C)CNc1ncnc2[nH]cnc21 ZINC000233047098 168283390 /nfs/dbraw/zinc/28/33/90/168283390.db2.gz CMFYVXGVJYPIOU-UHFFFAOYSA-N 0 1 219.292 2.201 20 0 BEADMN C[C@@H](C[N@@H+](CC1CC=CC1)C1CC1)C(=O)[O-] ZINC000659789056 411454927 /nfs/dbraw/zinc/45/49/27/411454927.db2.gz PPVISLKCXUCGGX-JTQLQIEISA-N 0 1 223.316 2.138 20 0 BEADMN Fc1cccc(CNCc2cnn3c2CCC3)c1 ZINC000657300172 411455287 /nfs/dbraw/zinc/45/52/87/411455287.db2.gz ACWLXHITAMUINA-UHFFFAOYSA-N 0 1 245.301 2.258 20 0 BEADMN CCC(C)(C)c1nc([C@@H](N)C(C)C)no1 ZINC000054404362 168306800 /nfs/dbraw/zinc/30/68/00/168306800.db2.gz HRNOUXVIEQIOBG-QMMMGPOBSA-N 0 1 211.309 2.413 20 0 BEADMN C[C@H](NC[C@@H]1CCCO1)c1c(F)cncc1F ZINC000285774998 411457349 /nfs/dbraw/zinc/45/73/49/411457349.db2.gz SGUGTPHPZZAPKH-IUCAKERBSA-N 0 1 242.269 2.189 20 0 BEADMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000659800002 411457585 /nfs/dbraw/zinc/45/75/85/411457585.db2.gz MBVMNABOAYWHQX-CABZTGNLSA-N 0 1 249.285 2.366 20 0 BEADMN Cc1ccc(CC[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000659802164 411457645 /nfs/dbraw/zinc/45/76/45/411457645.db2.gz RGEUPRLYWRRSKQ-OKILXGFUSA-N 0 1 247.338 2.333 20 0 BEADMN C[N@@H+](CCC1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801490 411458374 /nfs/dbraw/zinc/45/83/74/411458374.db2.gz JDNUMNSIMULHMQ-TXEJJXNPSA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000659804991 411458817 /nfs/dbraw/zinc/45/88/17/411458817.db2.gz JOXLCXIXPOHHQJ-NSHDSACASA-N 0 1 243.372 2.091 20 0 BEADMN CO[C@@H](CN1CCO[C@H](C)C1)C1CCCCC1 ZINC000659811454 411460149 /nfs/dbraw/zinc/46/01/49/411460149.db2.gz IRCGKBJDZWSZNX-OCCSQVGLSA-N 0 1 241.375 2.302 20 0 BEADMN CC[C@@H](CC(F)F)CN1CCO[C@@H](C)C1 ZINC000659811997 411460608 /nfs/dbraw/zinc/46/06/08/411460608.db2.gz MZLQHJHXZZAMRT-UWVGGRQHSA-N 0 1 221.291 2.389 20 0 BEADMN CCC(C)(C)N(C)C(=O)N(C)Cc1cnc[nH]1 ZINC000657028608 411395027 /nfs/dbraw/zinc/39/50/27/411395027.db2.gz XUVUKKXVBHHWNX-UHFFFAOYSA-N 0 1 238.335 2.082 20 0 BEADMN CCCC(C)(C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000653050118 411405452 /nfs/dbraw/zinc/40/54/52/411405452.db2.gz BLEFYJVOIMQLNX-QWRGUYRKSA-N 0 1 226.364 2.022 20 0 BEADMN Cc1ncsc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657215149 411419575 /nfs/dbraw/zinc/41/95/75/411419575.db2.gz LOBGIEQAHWEZFZ-MNOVXSKESA-N 0 1 238.356 2.062 20 0 BEADMN CCCC(C)(C)NC(=O)[C@H](C)N1CC(C)C1 ZINC000654657323 411424304 /nfs/dbraw/zinc/42/43/04/411424304.db2.gz ADWZXFPOQOJIDT-NSHDSACASA-N 0 1 226.364 2.022 20 0 BEADMN CC(=O)[C@H](C)CCSc1nc(C2CC2)n[nH]1 ZINC000657242399 411424688 /nfs/dbraw/zinc/42/46/88/411424688.db2.gz FETKNGVJZHEZHI-SSDOTTSWSA-N 0 1 239.344 2.389 20 0 BEADMN CC(=O)[C@H](C)CCSc1n[nH]c(C2CC2)n1 ZINC000657242399 411424690 /nfs/dbraw/zinc/42/46/90/411424690.db2.gz FETKNGVJZHEZHI-SSDOTTSWSA-N 0 1 239.344 2.389 20 0 BEADMN C[C@@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C)N(C)C ZINC000654671855 411427293 /nfs/dbraw/zinc/42/72/93/411427293.db2.gz YGLOSQBNGFDNMM-GVXVVHGQSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](C(=O)N[C@]1(C)CCCC[C@H]1C)N(C)C ZINC000654671857 411427716 /nfs/dbraw/zinc/42/77/16/411427716.db2.gz YGLOSQBNGFDNMM-NTZNESFSSA-N 0 1 226.364 2.022 20 0 BEADMN CCc1nc(SCc2cncs2)n[nH]1 ZINC000657239220 411427821 /nfs/dbraw/zinc/42/78/21/411427821.db2.gz GHIJWSOGBMRLCN-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1n[nH]c(SCc2cncs2)n1 ZINC000657239220 411427823 /nfs/dbraw/zinc/42/78/23/411427823.db2.gz GHIJWSOGBMRLCN-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)n[nH]1 ZINC000271400273 411429943 /nfs/dbraw/zinc/42/99/43/411429943.db2.gz IRMCDWDHPBHGBU-ONGXEEELSA-N 0 1 235.331 2.375 20 0 BEADMN C[C@H](C1CC1)N(C)C(=O)[C@@](C)(N)c1ccccc1 ZINC000052881640 411430819 /nfs/dbraw/zinc/43/08/19/411430819.db2.gz NCQYTNQBOBNUJA-ABAIWWIYSA-N 0 1 246.354 2.117 20 0 BEADMN FC1(F)CC[C@@H](c2nc([C@@H]3CCCN3)no2)C1 ZINC000306013411 411430828 /nfs/dbraw/zinc/43/08/28/411430828.db2.gz PDICJHGKACVVJE-SFYZADRCSA-N 0 1 243.257 2.397 20 0 BEADMN CC(C)(C)n1cc(CSc2cn[nH]n2)cn1 ZINC000657251556 411434793 /nfs/dbraw/zinc/43/47/93/411434793.db2.gz GVPZAFXLRGBTLU-UHFFFAOYSA-N 0 1 237.332 2.049 20 0 BEADMN CCc1nc([C@@H](C)Sc2cccnn2)n[nH]1 ZINC000657254430 411435690 /nfs/dbraw/zinc/43/56/90/411435690.db2.gz ALXOLRYKHZXKHR-SSDOTTSWSA-N 0 1 235.316 2.010 20 0 BEADMN C[C@H]1CC[C@H](NCc2cocn2)CS1 ZINC000655733359 411441975 /nfs/dbraw/zinc/44/19/75/411441975.db2.gz LRMTUVAVWVTNQT-IUCAKERBSA-N 0 1 212.318 2.048 20 0 BEADMN CC[C@H]1CCCN(Cc2cc(OC)no2)C1 ZINC000659824983 411463945 /nfs/dbraw/zinc/46/39/45/411463945.db2.gz KFWUTUPZLWGGGP-JTQLQIEISA-N 0 1 224.304 2.305 20 0 BEADMN C[C@H](NCc1cnn2c1CCC2)c1cccnc1 ZINC000657293248 411448729 /nfs/dbraw/zinc/44/87/29/411448729.db2.gz YYZVQVLZMIPWKV-NSHDSACASA-N 0 1 242.326 2.075 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC1=CCCC1 ZINC000306989149 411464203 /nfs/dbraw/zinc/46/42/03/411464203.db2.gz RRTFCIGWHUQIGI-LBPRGKRZSA-N 0 1 209.289 2.036 20 0 BEADMN OC[C@@H]1COCCN1CCC1CCCCCC1 ZINC000653643985 411453013 /nfs/dbraw/zinc/45/30/13/411453013.db2.gz GAIYQBDBBBRWTC-CQSZACIVSA-N 0 1 241.375 2.040 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])CC1CC=CC1 ZINC000659788164 411454477 /nfs/dbraw/zinc/45/44/77/411454477.db2.gz JMCKNOWTBXULRR-UHFFFAOYSA-N 0 1 225.332 2.385 20 0 BEADMN CC[C@@H](CC(F)F)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000659788471 411454489 /nfs/dbraw/zinc/45/44/89/411454489.db2.gz IQXXJFJOWUFNFC-CABZTGNLSA-N 0 1 249.301 2.464 20 0 BEADMN C[N@@H+](CC[C@@H]1CCc2ccccc21)CC(=O)[O-] ZINC000659787559 411454725 /nfs/dbraw/zinc/45/47/25/411454725.db2.gz CKTUPBDRKIODMS-LBPRGKRZSA-N 0 1 233.311 2.123 20 0 BEADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC1CC=CC1 ZINC000659788488 411454793 /nfs/dbraw/zinc/45/47/93/411454793.db2.gz JCONKONWRHZPAQ-JTQLQIEISA-N 0 1 211.305 2.138 20 0 BEADMN O=C([O-])[C@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000307107780 411466871 /nfs/dbraw/zinc/46/68/71/411466871.db2.gz GDICGVWQOLOPGH-LLVKDONJSA-N 0 1 209.289 2.036 20 0 BEADMN CCc1nc([C@H](C)N2C3CCC2CC3)n[nH]1 ZINC000659836049 411469575 /nfs/dbraw/zinc/46/95/75/411469575.db2.gz TXEDPBOCDQFNJK-IDKOKCKLSA-N 0 1 220.320 2.055 20 0 BEADMN C[C@@H](CCC1CC1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000655003740 411474621 /nfs/dbraw/zinc/47/46/21/411474621.db2.gz UHYPGICMXAQHMB-QWRGUYRKSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@H](CCC1CC1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000655003738 411474688 /nfs/dbraw/zinc/47/46/88/411474688.db2.gz UHYPGICMXAQHMB-GHMZBOCLSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@H]1C[C@H](NCc2cc(C(C)C)no2)CO1 ZINC000657361103 411476982 /nfs/dbraw/zinc/47/69/82/411476982.db2.gz FPAHQDWLAHFWLU-QWRGUYRKSA-N 0 1 238.331 2.455 20 0 BEADMN CC[C@@H]1C[C@@H](NCc2cc(C(C)C)no2)CO1 ZINC000657361100 411477407 /nfs/dbraw/zinc/47/74/07/411477407.db2.gz FPAHQDWLAHFWLU-GHMZBOCLSA-N 0 1 238.331 2.455 20 0 BEADMN CC[C@H]1C[C@H](NCc2ncc(C)s2)CO1 ZINC000657375990 411486427 /nfs/dbraw/zinc/48/64/27/411486427.db2.gz HAHHDGDBELTUBJ-UWVGGRQHSA-N 0 1 226.345 2.109 20 0 BEADMN CCc1cnc(CN[C@@H]2CO[C@@H](CC)C2)s1 ZINC000657377908 411486749 /nfs/dbraw/zinc/48/67/49/411486749.db2.gz IRKGXISKMJUZKV-UWVGGRQHSA-N 0 1 240.372 2.363 20 0 BEADMN CCCN(Cc1nc(C)oc1C)CC(C)(C)O ZINC000659880313 411489855 /nfs/dbraw/zinc/48/98/55/411489855.db2.gz LMNDYPUQHWMSBW-UHFFFAOYSA-N 0 1 240.347 2.274 20 0 BEADMN Cc1c[nH]c(CN[C@H]2CCCC(F)(F)C2)n1 ZINC000657401364 411496193 /nfs/dbraw/zinc/49/61/93/411496193.db2.gz CJISPSVJVMDZKU-VIFPVBQESA-N 0 1 229.274 2.386 20 0 BEADMN Cc1cc(CNC(=O)C2=CC[C@H](C)CC2)n[nH]1 ZINC000653413676 411496648 /nfs/dbraw/zinc/49/66/48/411496648.db2.gz OECSKHFZOBCOAY-VIFPVBQESA-N 0 1 233.315 2.081 20 0 BEADMN Cc1c[nH]c(CNC(C)(C)COC(C)C)n1 ZINC000657494353 411534013 /nfs/dbraw/zinc/53/40/13/411534013.db2.gz GFJBQCAMUXOZTG-UHFFFAOYSA-N 0 1 225.336 2.011 20 0 BEADMN C/C=C/C=C\c1nc([C@H]2CCCN2)no1 ZINC000309480856 411497576 /nfs/dbraw/zinc/49/75/76/411497576.db2.gz DNCIUJOUKVGAJG-YFVFLRHASA-N 0 1 205.261 2.083 20 0 BEADMN CN(Cc1cc[nH]n1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659921480 411498910 /nfs/dbraw/zinc/49/89/10/411498910.db2.gz ROQIWUBFPNGWFO-GRYCIOLGSA-N 0 1 219.332 2.278 20 0 BEADMN CC1(C)C[C@@H](N2CCc3ccc(O)cc3C2)CO1 ZINC000660078622 411534070 /nfs/dbraw/zinc/53/40/70/411534070.db2.gz XFAMKFDKIIUGAG-CYBMUJFWSA-N 0 1 247.338 2.318 20 0 BEADMN Cn1cnc(CN2CCCC(C)(C)C2)c1 ZINC000659925958 411500371 /nfs/dbraw/zinc/50/03/71/411500371.db2.gz ILQPFDKNRRTPAH-UHFFFAOYSA-N 0 1 207.321 2.042 20 0 BEADMN CCCn1nccc1CNc1cc(OC)ccn1 ZINC000657418141 411500763 /nfs/dbraw/zinc/50/07/63/411500763.db2.gz KJALHEZLRDVZHS-UHFFFAOYSA-N 0 1 246.314 2.309 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(C2(C)CC2)CC1 ZINC000655138184 411502523 /nfs/dbraw/zinc/50/25/23/411502523.db2.gz WUWWHWIDIQVZNZ-SNVBAGLBSA-N 0 1 247.342 2.037 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000659942609 411504243 /nfs/dbraw/zinc/50/42/43/411504243.db2.gz MSJIIZDAUXMHJN-CQSZACIVSA-N 0 1 249.358 2.094 20 0 BEADMN COC1(CNCc2nc(C)c[nH]2)CCCCC1 ZINC000657437745 411509835 /nfs/dbraw/zinc/50/98/35/411509835.db2.gz TYHIPKIWGMTKJJ-UHFFFAOYSA-N 0 1 237.347 2.157 20 0 BEADMN c1c(CN[C@H]2CC23CCCC3)nnn1C1CCC1 ZINC000657449327 411510351 /nfs/dbraw/zinc/51/03/51/411510351.db2.gz UTXZRJKMSSLSKU-ZDUSSCGKSA-N 0 1 246.358 2.425 20 0 BEADMN Cc1c[nH]c(CN[C@H]2CC23CCCC3)n1 ZINC000657449234 411510509 /nfs/dbraw/zinc/51/05/09/411510509.db2.gz RQBOFSFQGFAFFC-JTQLQIEISA-N 0 1 205.305 2.140 20 0 BEADMN COc1cc(CN2C[C@@H](C)CC[C@@H]2C)on1 ZINC000659970598 411513612 /nfs/dbraw/zinc/51/36/12/411513612.db2.gz KWFAIGSSJUQNGW-UWVGGRQHSA-N 0 1 224.304 2.304 20 0 BEADMN COc1cc(CN2CCC[C@@H]2C)sn1 ZINC000659970305 411513835 /nfs/dbraw/zinc/51/38/35/411513835.db2.gz IZRKCUPHRROBGI-QMMMGPOBSA-N 0 1 212.318 2.136 20 0 BEADMN C[C@H](COCC1CC1)N[C@@H]1CCCn2ccnc21 ZINC000655792533 411515658 /nfs/dbraw/zinc/51/56/58/411515658.db2.gz KRKKEPCIZRYTKA-DGCLKSJQSA-N 0 1 249.358 2.123 20 0 BEADMN CC(C)n1ccnc1CN[C@@H]1CSC1(C)C ZINC000657465086 411518296 /nfs/dbraw/zinc/51/82/96/411518296.db2.gz ZEDOECGIIVWULP-SNVBAGLBSA-N 0 1 239.388 2.448 20 0 BEADMN CC(C)C1(NCc2cn(C3CCC3)nn2)CC1 ZINC000657475069 411523827 /nfs/dbraw/zinc/52/38/27/411523827.db2.gz ZHGWTMMKKKWYRA-UHFFFAOYSA-N 0 1 234.347 2.281 20 0 BEADMN CCc1nnc([C@@H](C)N2CC[C@H](C(C)C)C2)[nH]1 ZINC000659995331 411524274 /nfs/dbraw/zinc/52/42/74/411524274.db2.gz BRDMPTDHUOYQQT-MNOVXSKESA-N 0 1 236.363 2.406 20 0 BEADMN CCc1noc(C)c1CN[C@H]1CO[C@@H](CC)C1 ZINC000657475473 411525334 /nfs/dbraw/zinc/52/53/34/411525334.db2.gz USECMDUDZTZBGE-MNOVXSKESA-N 0 1 238.331 2.203 20 0 BEADMN CCO[C@@H]1CCCC[C@H]1NCc1nc(C)c[nH]1 ZINC000657487904 411530676 /nfs/dbraw/zinc/53/06/76/411530676.db2.gz ZKVBHYDAXXKZPX-VXGBXAGGSA-N 0 1 237.347 2.155 20 0 BEADMN COC[C@@H](CC(C)(C)C)NCc1nc(C)c[nH]1 ZINC000657504054 411538936 /nfs/dbraw/zinc/53/89/36/411538936.db2.gz CUMOZEOZXIKCAG-LLVKDONJSA-N 0 1 239.363 2.259 20 0 BEADMN Fc1ccc(CNC2CC2)c(F)c1F ZINC000069049574 411539110 /nfs/dbraw/zinc/53/91/10/411539110.db2.gz VIXBWKOLEOMNCF-UHFFFAOYSA-N 0 1 201.191 2.356 20 0 BEADMN CC[C@@H](NCc1nc(C)c[nH]1)[C@@H]1CCCCO1 ZINC000657506289 411540037 /nfs/dbraw/zinc/54/00/37/411540037.db2.gz FMACCQMKUJVBBI-NEPJUHHUSA-N 0 1 237.347 2.155 20 0 BEADMN CC(=O)c1nc(CCN2CC=C(C)CC2)[nH]c1C ZINC000660127973 411542152 /nfs/dbraw/zinc/54/21/52/411542152.db2.gz QXRBHTOQBCJLPW-UHFFFAOYSA-N 0 1 247.342 2.115 20 0 BEADMN CC(=O)c1[nH]c(CCN2CC=C(C)CC2)nc1C ZINC000660127973 411542153 /nfs/dbraw/zinc/54/21/53/411542153.db2.gz QXRBHTOQBCJLPW-UHFFFAOYSA-N 0 1 247.342 2.115 20 0 BEADMN CCNC(=O)CNCc1ccc(C(C)C)cc1 ZINC000035134201 170064982 /nfs/dbraw/zinc/06/49/82/170064982.db2.gz QVBRFGCKRXIGAZ-UHFFFAOYSA-N 0 1 234.343 2.036 20 0 BEADMN CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1nccs1 ZINC000657525985 411543338 /nfs/dbraw/zinc/54/33/38/411543338.db2.gz ZGEAILREQYWROK-SNVBAGLBSA-N 0 1 239.388 2.106 20 0 BEADMN CC(C)(C)N1CC[C@@H]1CNCc1nccs1 ZINC000657525985 411543341 /nfs/dbraw/zinc/54/33/41/411543341.db2.gz ZGEAILREQYWROK-SNVBAGLBSA-N 0 1 239.388 2.106 20 0 BEADMN CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccccn1 ZINC000657525585 411543345 /nfs/dbraw/zinc/54/33/45/411543345.db2.gz ZAQCBCFDEWLETC-ZDUSSCGKSA-N 0 1 233.359 2.044 20 0 BEADMN c1c(CN[C@@H]2C[C@H]2C2CCC2)nn2c1CCC2 ZINC000657496762 411536065 /nfs/dbraw/zinc/53/60/65/411536065.db2.gz XFTHRBJHWMWDNZ-UONOGXRCSA-N 0 1 231.343 2.108 20 0 BEADMN CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000120687958 170091668 /nfs/dbraw/zinc/09/16/68/170091668.db2.gz MGYANOWYGZNPEB-AWEZNQCLSA-N 0 1 246.354 2.177 20 0 BEADMN c1c(CNC2(C3CCC3)CC2)nnn1C1CCC1 ZINC000657499767 411536794 /nfs/dbraw/zinc/53/67/94/411536794.db2.gz DGMQMDSQVUECMD-UHFFFAOYSA-N 0 1 246.358 2.425 20 0 BEADMN C[C@@H]1CCN(Cc2cn(C)cn2)CC12CCC2 ZINC000660167498 411550904 /nfs/dbraw/zinc/55/09/04/411550904.db2.gz GRASVTYYBHDZDX-GFCCVEGCSA-N 0 1 233.359 2.432 20 0 BEADMN CC(C)(C)c1ncc(CNC/C=C\CO)s1 ZINC000657592886 411556181 /nfs/dbraw/zinc/55/61/81/411556181.db2.gz NMZJDCAPVDGWNE-PLNGDYQASA-N 0 1 240.372 2.079 20 0 BEADMN Cc1cc(CN2CC[C@H](C(F)F)C2)nc(C)n1 ZINC000660146180 411545437 /nfs/dbraw/zinc/54/54/37/411545437.db2.gz DOBWTUKBQHXYBM-JTQLQIEISA-N 0 1 241.285 2.180 20 0 BEADMN CCc1nc([C@@H](C)N2CC[C@@H](C(F)F)C2)n[nH]1 ZINC000660146272 411545509 /nfs/dbraw/zinc/54/55/09/411545509.db2.gz FPXHEKQVMPSPDT-HTQZYQBOSA-N 0 1 244.289 2.015 20 0 BEADMN Cc1nc(CN2CCC[C@@]2(C)CCCO)co1 ZINC000660160089 411548789 /nfs/dbraw/zinc/54/87/89/411548789.db2.gz LNGSYPJZZQXSFS-ZDUSSCGKSA-N 0 1 238.331 2.110 20 0 BEADMN CCOC(=O)C(C)(C)N(C)C[C@@H]1CCSC1 ZINC000354757920 170185962 /nfs/dbraw/zinc/18/59/62/170185962.db2.gz QFNRJMZQJXDIQI-JTQLQIEISA-N 0 1 245.388 2.013 20 0 BEADMN CCOC(=O)C(C)(C)N(C)CCCOC(C)C ZINC000119863043 170186619 /nfs/dbraw/zinc/18/66/19/170186619.db2.gz BYJWUHJZEJVPMR-UHFFFAOYSA-N 0 1 245.363 2.075 20 0 BEADMN CCOC(=O)CN([C@H](C)[C@H](C)CC)C1CC1 ZINC000104966066 170215891 /nfs/dbraw/zinc/21/58/91/170215891.db2.gz NRVMEJFAKFHAPI-GHMZBOCLSA-N 0 1 227.348 2.449 20 0 BEADMN CCOC(=O)CN(CC)CCC(C)(C)C ZINC000050051772 170216486 /nfs/dbraw/zinc/21/64/86/170216486.db2.gz RDWFZVFYZQKONZ-UHFFFAOYSA-N 0 1 215.337 2.308 20 0 BEADMN CCOC(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115739542 170221761 /nfs/dbraw/zinc/22/17/61/170221761.db2.gz PFKJGCMMCQRCIH-JSGCOSHPSA-N 0 1 247.338 2.428 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(CNC/C=C/CO)o1 ZINC000657593215 411559230 /nfs/dbraw/zinc/55/92/30/411559230.db2.gz QFZJZTJZFVUKRO-AKDQNTJRSA-N 0 1 221.300 2.041 20 0 BEADMN OC/C=C\CNCc1ccc(F)cc1Cl ZINC000657593869 411560025 /nfs/dbraw/zinc/56/00/25/411560025.db2.gz XAUKLVDBHJMRBS-UPHRSURJSA-N 0 1 229.682 2.117 20 0 BEADMN OC/C=C\CNCc1cc(Cl)ccc1F ZINC000657595248 411560625 /nfs/dbraw/zinc/56/06/25/411560625.db2.gz ZECNGYJOQFGKMP-UPHRSURJSA-N 0 1 229.682 2.117 20 0 BEADMN C[C@@H](NC/C=C\CO)c1ccccc1F ZINC000657595163 411560708 /nfs/dbraw/zinc/56/07/08/411560708.db2.gz YBQHBZPSQPRACB-UMCURTJPSA-N 0 1 209.264 2.025 20 0 BEADMN Cc1noc([C@H](C)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000660262796 411561151 /nfs/dbraw/zinc/56/11/51/411561151.db2.gz JNBBCWIHVBRWDZ-GMNPVEAJSA-N 0 1 235.331 2.465 20 0 BEADMN CCOC(=O)[C@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354024267 170266931 /nfs/dbraw/zinc/26/69/31/170266931.db2.gz MOKMWBRXUTXNQJ-MNOVXSKESA-N 0 1 227.348 2.306 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N1C[C@@H](C)[C@@H]1C ZINC000339571823 170270431 /nfs/dbraw/zinc/27/04/31/170270431.db2.gz NZEAHWWFPDKERI-WOPDTQHZSA-N 0 1 227.348 2.304 20 0 BEADMN CCOC(=O)[C@H]1CCCN(C/C=C/Cl)C1 ZINC000049956458 170279704 /nfs/dbraw/zinc/27/97/04/170279704.db2.gz DJGSXMRWIZXZHG-RWCYGVJQSA-N 0 1 231.723 2.014 20 0 BEADMN CCOC(=O)c1ccc(CN(C)C2CC2)o1 ZINC000153794612 170295628 /nfs/dbraw/zinc/29/56/28/170295628.db2.gz QGEQACARZBVJNA-UHFFFAOYSA-N 0 1 223.272 2.051 20 0 BEADMN CCOC(=O)c1coc(CN(C)C2CCC2)c1 ZINC000353650783 170304462 /nfs/dbraw/zinc/30/44/62/170304462.db2.gz AZAFHSOGCLMHSL-UHFFFAOYSA-N 0 1 237.299 2.441 20 0 BEADMN CCOC(C)(C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000345345074 170313949 /nfs/dbraw/zinc/31/39/49/170313949.db2.gz BQLIQFYFTBPUEF-MNOVXSKESA-N 0 1 237.347 2.294 20 0 BEADMN CCOC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000340464823 170320335 /nfs/dbraw/zinc/32/03/35/170320335.db2.gz KZHXBDZXPQDKJD-LLVKDONJSA-N 0 1 237.347 2.410 20 0 BEADMN CCOC1(CN[C@H]2CCn3ccnc32)CCCC1 ZINC000345359821 170320535 /nfs/dbraw/zinc/32/05/35/170320535.db2.gz YKGIIOYAWUCOLM-LBPRGKRZSA-N 0 1 249.358 2.267 20 0 BEADMN CCOC1CC(CN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000367139472 170325002 /nfs/dbraw/zinc/32/50/02/170325002.db2.gz XWWUYLIEIJTTGL-WXRRBKDZSA-N 0 1 249.358 2.362 20 0 BEADMN Cc1nc(CNC[C@H]2CCC[C@@H](C)O2)[nH]c1C ZINC000657670343 411574713 /nfs/dbraw/zinc/57/47/13/411574713.db2.gz UEXXGIGCOXLHBQ-BXKDBHETSA-N 0 1 237.347 2.074 20 0 BEADMN CC(C)(F)CCNCc1cscn1 ZINC000657644509 411568378 /nfs/dbraw/zinc/56/83/78/411568378.db2.gz MLWVBYCLYMINDX-UHFFFAOYSA-N 0 1 202.298 2.371 20 0 BEADMN CCOCCCCNc1nc(C2CC2)ns1 ZINC000336779305 170367743 /nfs/dbraw/zinc/36/77/43/170367743.db2.gz NXIHEFSAKGAZQG-UHFFFAOYSA-N 0 1 241.360 2.066 20 0 BEADMN c1cc(CN[C@@H]2C[C@@H](Oc3ccccc3)C2)n[nH]1 ZINC000657645678 411568800 /nfs/dbraw/zinc/56/88/00/411568800.db2.gz DYTAUZROKWMEJG-MQMHXKEQSA-N 0 1 243.310 2.109 20 0 BEADMN CCOCCN(C)Cc1cc(Cl)cn1C ZINC000120021926 170390151 /nfs/dbraw/zinc/39/01/51/170390151.db2.gz ILDHMDXPSDZSMM-UHFFFAOYSA-N 0 1 230.739 2.147 20 0 BEADMN CCC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000663317404 411623309 /nfs/dbraw/zinc/62/33/09/411623309.db2.gz NEZGISFGWMKNRU-VHSXEESVSA-N 0 1 213.321 2.218 20 0 BEADMN CC12CC(C1)C[N@H+]2CCCCCC(=O)[O-] ZINC000663315449 411623373 /nfs/dbraw/zinc/62/33/73/411623373.db2.gz HLWVOVZVJFDKHE-UHFFFAOYSA-N 0 1 211.305 2.116 20 0 BEADMN CCOCCN(CC)Cc1cc(O)cc(F)c1 ZINC000184150236 170395641 /nfs/dbraw/zinc/39/56/41/170395641.db2.gz VKPLSTOAAUOSIF-UHFFFAOYSA-N 0 1 241.306 2.390 20 0 BEADMN CCOCCN(CC)Cc1cncs1 ZINC000092537642 170395743 /nfs/dbraw/zinc/39/57/43/170395743.db2.gz KDHXRGXOUBLNPP-UHFFFAOYSA-N 0 1 214.334 2.002 20 0 BEADMN FCCOCCNCc1ccc(Cl)o1 ZINC000663342522 411630703 /nfs/dbraw/zinc/63/07/03/411630703.db2.gz ZEGGHVZPQHBBRA-UHFFFAOYSA-N 0 1 221.659 2.009 20 0 BEADMN CC[C@@H]1OCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660784012 411631233 /nfs/dbraw/zinc/63/12/33/411631233.db2.gz XANGMAQZSBEION-YPMHNXCESA-N 0 1 236.315 2.209 20 0 BEADMN CO[C@](C)([C@@H](C)NCc1coc(C)n1)C1CC1 ZINC000660803265 411637049 /nfs/dbraw/zinc/63/70/49/411637049.db2.gz KIYSEJKHVREZBX-NOZJJQNGSA-N 0 1 238.331 2.276 20 0 BEADMN Cc1nc(CN2CCSC[C@H](C)C2)c(C)o1 ZINC000660406466 411580945 /nfs/dbraw/zinc/58/09/45/411580945.db2.gz GRDPTMHPJCAUQC-SECBINFHSA-N 0 1 240.372 2.476 20 0 BEADMN CO[C@]1(C)CCCN(Cc2coc(C)n2)CC1 ZINC000660450119 411586874 /nfs/dbraw/zinc/58/68/74/411586874.db2.gz CNKXHLKFBVBWRS-CYBMUJFWSA-N 0 1 238.331 2.374 20 0 BEADMN CC1(C)C[C@]1(C)NCc1cc2n(n1)CCC2 ZINC000657761867 411591425 /nfs/dbraw/zinc/59/14/25/411591425.db2.gz TZKXTHBVGKBYTL-ZDUSSCGKSA-N 0 1 219.332 2.108 20 0 BEADMN CC1(C)C[C@@]1(C)NCc1cc2n(n1)CCC2 ZINC000657761866 411591788 /nfs/dbraw/zinc/59/17/88/411591788.db2.gz TZKXTHBVGKBYTL-CYBMUJFWSA-N 0 1 219.332 2.108 20 0 BEADMN COC[C@@H](C)NCc1nsc2ccccc12 ZINC000660483567 411592468 /nfs/dbraw/zinc/59/24/68/411592468.db2.gz HZGPAGJQWRBVHM-SECBINFHSA-N 0 1 236.340 2.421 20 0 BEADMN C(CN1CCOC[C@H]1[C@@H]1CCCO1)C1CCC1 ZINC000660540421 411597087 /nfs/dbraw/zinc/59/70/87/411597087.db2.gz OMWBEKMJQIDYIJ-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN C(CN1CCOC[C@@H]1[C@H]1CCCO1)C1CCC1 ZINC000660540424 411597494 /nfs/dbraw/zinc/59/74/94/411597494.db2.gz OMWBEKMJQIDYIJ-ZIAGYGMSSA-N 0 1 239.359 2.056 20 0 BEADMN COc1cccc(CNCc2n[nH]cc2C)c1C ZINC000657803191 411599774 /nfs/dbraw/zinc/59/97/74/411599774.db2.gz KAGIBDBUOKPVRU-UHFFFAOYSA-N 0 1 245.326 2.325 20 0 BEADMN O[C@H]1C[C@H](NCc2c(F)cccc2Cl)C1 ZINC000657806354 411600859 /nfs/dbraw/zinc/60/08/59/411600859.db2.gz MFUUYJTXTOKABW-ZKCHVHJHSA-N 0 1 229.682 2.092 20 0 BEADMN c1ncn2c1CN(CCC1CCCC1)CC2 ZINC000660578433 411603449 /nfs/dbraw/zinc/60/34/49/411603449.db2.gz PHZKRKMXIFVBSP-UHFFFAOYSA-N 0 1 219.332 2.279 20 0 BEADMN C[C@@H](O)[C@@H](NCc1cccnc1)c1ccccc1 ZINC000657814319 411604310 /nfs/dbraw/zinc/60/43/10/411604310.db2.gz DVVFXROUYDSGPO-IUODEOHRSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](O)[C@H](NCc1cncs1)c1ccccc1 ZINC000657819803 411606640 /nfs/dbraw/zinc/60/66/40/411606640.db2.gz UEXWOZWJJRXDLA-GWCFXTLKSA-N 0 1 248.351 2.355 20 0 BEADMN C[C@H](O)[C@@H](NCc1cncs1)c1ccccc1 ZINC000657819804 411606660 /nfs/dbraw/zinc/60/66/60/411606660.db2.gz UEXWOZWJJRXDLA-GXFFZTMASA-N 0 1 248.351 2.355 20 0 BEADMN C[C@@H](O)[C@@H](NCc1ccncc1)c1ccccc1 ZINC000657820529 411606846 /nfs/dbraw/zinc/60/68/46/411606846.db2.gz XEEYDWZYDGKQHQ-IUODEOHRSA-N 0 1 242.322 2.293 20 0 BEADMN C[C@H](N[C@@H]1CCCn2nccc21)c1cccnc1 ZINC000657825110 411607853 /nfs/dbraw/zinc/60/78/53/411607853.db2.gz MBGLHCDDKHEJPA-WCQYABFASA-N 0 1 242.326 2.464 20 0 BEADMN C[C@@H]1CN(Cc2cnc3ccccc3n2)[C@@H]1C ZINC000660640249 411610821 /nfs/dbraw/zinc/61/08/21/411610821.db2.gz OJSRNUNDPVVRPP-GHMZBOCLSA-N 0 1 227.311 2.470 20 0 BEADMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCC(C)C)n1 ZINC000660745026 411620461 /nfs/dbraw/zinc/62/04/61/411620461.db2.gz JPQXDQACHAGVBP-UHFFFAOYSA-N 0 1 237.347 2.361 20 0 BEADMN COC[C@H]1CCCN(Cc2coc(C)n2)CC1 ZINC000660757506 411621371 /nfs/dbraw/zinc/62/13/71/411621371.db2.gz MNLBMSIWUCRJJV-LBPRGKRZSA-N 0 1 238.331 2.232 20 0 BEADMN CCCC[C@@H](C(=O)[O-])[N@H+]1CC2CC1(C)C2 ZINC000663315302 411622484 /nfs/dbraw/zinc/62/24/84/411622484.db2.gz GFBZPCWWLNWPJO-YZRBJQDESA-N 0 1 211.305 2.114 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000663317403 411622953 /nfs/dbraw/zinc/62/29/53/411622953.db2.gz NEZGISFGWMKNRU-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN Cc1cc(CN(C)Cc2cnc[nH]2)cs1 ZINC000661093060 411705374 /nfs/dbraw/zinc/70/53/74/411705374.db2.gz MGBIGHPVRCMGKG-UHFFFAOYSA-N 0 1 221.329 2.412 20 0 BEADMN CC[C@H](C)N(CC)Cc1nnc2n1CCCC2 ZINC000661105782 411710166 /nfs/dbraw/zinc/71/01/66/411710166.db2.gz ZUEKIIIMTCKJMM-NSHDSACASA-N 0 1 236.363 2.235 20 0 BEADMN c1c(CN2C[C@@H]3CCCC[C@@H]32)nc2ncccn12 ZINC000660927900 411679480 /nfs/dbraw/zinc/67/94/80/411679480.db2.gz ILFHSBDTAKIKNP-AAEUAGOBSA-N 0 1 242.326 2.104 20 0 BEADMN COc1cc(CN2C[C@@H]3CCCC[C@@H]32)on1 ZINC000660933536 411684875 /nfs/dbraw/zinc/68/48/75/411684875.db2.gz CJLFWOGUWKVYID-ONGXEEELSA-N 0 1 222.288 2.058 20 0 BEADMN CN(Cc1csc(C2CC2)n1)Cc1cnc[nH]1 ZINC000661089268 411700419 /nfs/dbraw/zinc/70/04/19/411700419.db2.gz ZWRHZNQDEOGGJD-UHFFFAOYSA-N 0 1 248.355 2.376 20 0 BEADMN COc1cc(CN(C)Cc2cnc[nH]2)ccc1C ZINC000661091268 411702680 /nfs/dbraw/zinc/70/26/80/411702680.db2.gz XWKDHVCAQDSQQH-UHFFFAOYSA-N 0 1 245.326 2.359 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1ncccn1 ZINC000661517921 411793742 /nfs/dbraw/zinc/79/37/42/411793742.db2.gz YKHAMNRZITWIAP-SMDDNHRTSA-N 0 1 239.322 2.295 20 0 BEADMN C[C@H]1c2ccccc2C[C@H]1NCc1ccon1 ZINC000661517776 411794063 /nfs/dbraw/zinc/79/40/63/411794063.db2.gz UIMPETPAQNPPBL-IINYFYTJSA-N 0 1 228.295 2.493 20 0 BEADMN Cn1c(=O)[nH]nc1SCC12CCC(CC1)C2 ZINC000663949161 411788906 /nfs/dbraw/zinc/78/89/06/411788906.db2.gz QAQVVISARDVJMX-UHFFFAOYSA-N 0 1 239.344 2.193 20 0 BEADMN C[C@@H]1CCN(CCc2cncs2)C[C@H]1F ZINC000663691376 411724756 /nfs/dbraw/zinc/72/47/56/411724756.db2.gz ULIJJNCPFAOGQX-MWLCHTKSSA-N 0 1 228.336 2.366 20 0 BEADMN Cc1nc(CN2CCC[C@@H]2[C@@H](C)O)sc1C ZINC000661767807 411864978 /nfs/dbraw/zinc/86/49/78/411864978.db2.gz RJNSGCBLFJMKJT-MWLCHTKSSA-N 0 1 240.372 2.105 20 0 BEADMN C[C@@H]1CN([C@@H]2C=CCCC2)C[C@@H](C)C1=O ZINC000661550798 411800959 /nfs/dbraw/zinc/80/09/59/411800959.db2.gz KYGZEXVKYLNONA-IJLUTSLNSA-N 0 1 207.317 2.252 20 0 BEADMN CC[C@@H](C)CCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286407154 170693218 /nfs/dbraw/zinc/69/32/18/170693218.db2.gz OVLYAEVYEYAWCG-BDAKNGLRSA-N 0 1 238.335 2.117 20 0 BEADMN COc1cc(CN2CCC[C@@H](CCF)C2)on1 ZINC000661687318 411837496 /nfs/dbraw/zinc/83/74/96/411837496.db2.gz AGIGTHKGTUPDFB-JTQLQIEISA-N 0 1 242.294 2.255 20 0 BEADMN C[C@H](c1ccccn1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661708096 411851810 /nfs/dbraw/zinc/85/18/10/411851810.db2.gz WTFNUMWANWONOA-BZPMIXESSA-N 0 1 232.327 2.111 20 0 BEADMN CSc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000661714056 411853052 /nfs/dbraw/zinc/85/30/52/411853052.db2.gz OYGKHCWLMXRENT-GXTWGEPZSA-N 0 1 249.379 2.365 20 0 BEADMN Cc1nnc(NC[C@H]2CCN2C(C)(C)C)s1 ZINC000664143344 411863339 /nfs/dbraw/zinc/86/33/39/411863339.db2.gz WBPPQDQVWSZNPK-SECBINFHSA-N 0 1 240.376 2.131 20 0 BEADMN C[C@@H]1CC[N@@H+](CCc2ccncc2)C[C@H](C)O1 ZINC000661853273 411903562 /nfs/dbraw/zinc/90/35/62/411903562.db2.gz RDSUSTPMSDATNT-OLZOCXBDSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C)no2)C1 ZINC000661860063 411907278 /nfs/dbraw/zinc/90/72/78/411907278.db2.gz QSPQHOLAJODTLX-MWLCHTKSSA-N 0 1 223.320 2.389 20 0 BEADMN c1c(CN2CC[C@H]3C[C@H]3C2)onc1C1CC1 ZINC000661968645 411925331 /nfs/dbraw/zinc/92/53/31/411925331.db2.gz ZLZXRQCXBBYLFC-QWRGUYRKSA-N 0 1 218.300 2.394 20 0 BEADMN Cc1ccc(NC(=O)CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661977159 411932114 /nfs/dbraw/zinc/93/21/14/411932114.db2.gz WHNHSPYDPRGUQC-STQMWFEESA-N 0 1 244.338 2.275 20 0 BEADMN Cc1nnc(CN[C@@H](C)C2CCC(F)CC2)o1 ZINC000661998321 411937867 /nfs/dbraw/zinc/93/78/67/411937867.db2.gz JOQZODOEBRKSCJ-PUSIOWJLSA-N 0 1 241.310 2.384 20 0 BEADMN CCC(CC)CCC[N@@H+](C)[C@@H](CC)C(N)=O ZINC000662039632 411943687 /nfs/dbraw/zinc/94/36/87/411943687.db2.gz QHAMZGKOWSFKDG-LBPRGKRZSA-N 0 1 228.380 2.399 20 0 BEADMN CC[C@@H](NCc1nc([C@@H](C)OC)no1)C1CC1 ZINC000661757308 411868495 /nfs/dbraw/zinc/86/84/95/411868495.db2.gz BZYRHJOWGHLWAQ-PSASIEDQSA-N 0 1 239.319 2.055 20 0 BEADMN Cc1nccc(N[C@H](CO)C2CCC2)c1Cl ZINC000664170652 411878113 /nfs/dbraw/zinc/87/81/13/411878113.db2.gz HRICKLSOWDHNFE-LLVKDONJSA-N 0 1 240.734 2.038 20 0 BEADMN C[C@@H](O)[C@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000661767604 411878334 /nfs/dbraw/zinc/87/83/34/411878334.db2.gz NJXNFYHMQSJCKG-BXKDBHETSA-N 0 1 240.734 2.080 20 0 BEADMN CC[C@@H](F)CN[C@@H](C)c1ccnc(OC)c1 ZINC000310039632 170859075 /nfs/dbraw/zinc/85/90/75/170859075.db2.gz XECNJUCKUNFIJR-GXSJLCMTSA-N 0 1 226.295 2.489 20 0 BEADMN Cc1nnc([C@@H](C)NC2(CC(C)C)CC2)[nH]1 ZINC000662066435 411967389 /nfs/dbraw/zinc/96/73/89/411967389.db2.gz LXMOZGXPEXFPOY-SECBINFHSA-N 0 1 222.336 2.342 20 0 BEADMN CC(C)CC1(NCc2nnc3n2CCCC3)CC1 ZINC000662065796 411968471 /nfs/dbraw/zinc/96/84/71/411968471.db2.gz BSJYGSBDHWOHOE-UHFFFAOYSA-N 0 1 248.374 2.283 20 0 BEADMN CC(C)CC1(NCc2nc(C3CC3)nn2C)CC1 ZINC000662066664 411970273 /nfs/dbraw/zinc/97/02/73/411970273.db2.gz PKSOMRHCANIPRC-UHFFFAOYSA-N 0 1 248.374 2.361 20 0 BEADMN CC[C@@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662093394 411985369 /nfs/dbraw/zinc/98/53/69/411985369.db2.gz RTRIYAWLZIUBRK-SNVBAGLBSA-N 0 1 221.300 2.385 20 0 BEADMN CC(C)C[C@@H](C)[N@H+]1CCc2nccnc2C1 ZINC000662119021 411990522 /nfs/dbraw/zinc/99/05/22/411990522.db2.gz IYIUNFNLFNBBON-LLVKDONJSA-N 0 1 219.332 2.269 20 0 BEADMN CC(C)=CCC[N@H+]1CCc2nccnc2C1 ZINC000662119168 411990691 /nfs/dbraw/zinc/99/06/91/411990691.db2.gz RFDGJULXQNKSFJ-UHFFFAOYSA-N 0 1 217.316 2.191 20 0 BEADMN CC(C)=CCCN1CCc2nccnc2C1 ZINC000662119168 411990693 /nfs/dbraw/zinc/99/06/93/411990693.db2.gz RFDGJULXQNKSFJ-UHFFFAOYSA-N 0 1 217.316 2.191 20 0 BEADMN CCC[C@H](C)N1CCc2nccnc2C1 ZINC000662120346 411991755 /nfs/dbraw/zinc/99/17/55/411991755.db2.gz CUKMMQNCBVBTLA-JTQLQIEISA-N 0 1 205.305 2.023 20 0 BEADMN c1cnc2c(n1)CCN(CCC1CCCC1)C2 ZINC000662125566 411993550 /nfs/dbraw/zinc/99/35/50/411993550.db2.gz WOOANJHSKQCEIO-UHFFFAOYSA-N 0 1 231.343 2.415 20 0 BEADMN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(C)n1C ZINC000662158584 412011499 /nfs/dbraw/zinc/01/14/99/412011499.db2.gz VMRVAXUINJUIIF-CMPLNLGQSA-N 0 1 236.363 2.277 20 0 BEADMN Cc1nnc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000662039227 411955359 /nfs/dbraw/zinc/95/53/59/411955359.db2.gz PLEUDMKKQRTSPO-GFCCVEGCSA-N 0 1 235.331 2.390 20 0 BEADMN Cc1nnc([C@@H](C)N2CCC3(CCC3)CC2)[nH]1 ZINC000664445615 411959831 /nfs/dbraw/zinc/95/98/31/411959831.db2.gz NYIDGKHHSGDNKB-SNVBAGLBSA-N 0 1 234.347 2.440 20 0 BEADMN CC(C)[C@H](O)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664817303 412024824 /nfs/dbraw/zinc/02/48/24/412024824.db2.gz BYZIGWSGCFJSAL-ZIAGYGMSSA-N 0 1 248.370 2.481 20 0 BEADMN C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@H]1C(=O)[O-] ZINC000662212338 412026846 /nfs/dbraw/zinc/02/68/46/412026846.db2.gz OOGNAKODZWFYFJ-ZYHUDNBSSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CC=CC1 ZINC000662213495 412027221 /nfs/dbraw/zinc/02/72/21/412027221.db2.gz ZDLVGKWZLUNGPO-PWSUYJOCSA-N 0 1 223.316 2.138 20 0 BEADMN CC1(C)CN(CCCCO)[C@H]1c1cccnc1 ZINC000664826168 412027302 /nfs/dbraw/zinc/02/73/02/412027302.db2.gz OZHMNEGFDQMRQX-ZDUSSCGKSA-N 0 1 234.343 2.237 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000662213206 412027404 /nfs/dbraw/zinc/02/74/04/412027404.db2.gz UFWMKTGHYXWEAX-VXGBXAGGSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662213687 412028035 /nfs/dbraw/zinc/02/80/35/412028035.db2.gz FVHJLWQNADAYMU-NJMOYASZSA-N 0 1 237.343 2.360 20 0 BEADMN CC[N@@H+](Cc1sc(C)nc1C)[C@@H](C)C(=O)[O-] ZINC000662216569 412029637 /nfs/dbraw/zinc/02/96/37/412029637.db2.gz PWHJHQMVFPNTTI-QMMMGPOBSA-N 0 1 242.344 2.055 20 0 BEADMN CC[N@@H+](C[C@H](C)CC(C)C)[C@@H](C)C(=O)[O-] ZINC000662217531 412029683 /nfs/dbraw/zinc/02/96/83/412029683.db2.gz VPQRQQQNDDJYSS-MNOVXSKESA-N 0 1 215.337 2.464 20 0 BEADMN CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H](C)C(=O)[O-] ZINC000662216536 412029715 /nfs/dbraw/zinc/02/97/15/412029715.db2.gz PHFHTJGEWOLCHB-NSHDSACASA-N 0 1 247.338 2.470 20 0 BEADMN C[C@H]1CN(CC2CC2)C[C@H](CC(F)(F)F)O1 ZINC000662241355 412036605 /nfs/dbraw/zinc/03/66/05/412036605.db2.gz JUWQAZNHHXUSGX-WPRPVWTQSA-N 0 1 237.265 2.438 20 0 BEADMN CC[C@@H]1CCN1Cc1cccc2c1OCCO2 ZINC000292325098 171024001 /nfs/dbraw/zinc/02/40/01/171024001.db2.gz FSWDBENIVYHRQQ-GFCCVEGCSA-N 0 1 233.311 2.442 20 0 BEADMN CC[C@H]1CC[C@H](C(=O)Nc2nnc(C)[nH]2)CC1 ZINC000187761242 171032708 /nfs/dbraw/zinc/03/27/08/171032708.db2.gz ILTPLWASSRQACN-AOOOYVTPSA-N 0 1 236.319 2.268 20 0 BEADMN CC[C@@H]1CN(CC2CCC2)C[C@H](C)[S@@]1=O ZINC000352868378 171078538 /nfs/dbraw/zinc/07/85/38/171078538.db2.gz LRTNGXAZNRULIA-NVBFEUDRSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN(CCC2CC2)C[C@@H](C)[S@@]1=O ZINC000352872816 171079272 /nfs/dbraw/zinc/07/92/72/171079272.db2.gz WXHNCHNZCYUPOM-HCKVZZMMSA-N 0 1 229.389 2.018 20 0 BEADMN CC[C@@H]1CN([C@H](C)c2cnccn2)CCCO1 ZINC000281477328 171096692 /nfs/dbraw/zinc/09/66/92/171096692.db2.gz SCBLDBDCEKLLCB-VXGBXAGGSA-N 0 1 235.331 2.039 20 0 BEADMN CC[C@@H]1COCCN1CCCc1ccc(C)nc1 ZINC000353438577 171106305 /nfs/dbraw/zinc/10/63/05/171106305.db2.gz MAMOGKNYROURMB-OAHLLOKOSA-N 0 1 248.370 2.433 20 0 BEADMN CC[C@@H]1COCCN1C[C@H](OC)c1ccccc1 ZINC000338544425 171106587 /nfs/dbraw/zinc/10/65/87/171106587.db2.gz OSTPICRHFLDVRC-CABCVRRESA-N 0 1 249.354 2.485 20 0 BEADMN CC[C@@H]1CO[C@H](C)CN1CCc1ccccn1 ZINC000298268576 171112426 /nfs/dbraw/zinc/11/24/26/171112426.db2.gz FKWKZGYJHHBYME-TZMCWYRMSA-N 0 1 234.343 2.123 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1c(C)n[nH]c1C(C)C ZINC000331568130 171139672 /nfs/dbraw/zinc/13/96/72/171139672.db2.gz YEHIZOIDAISYOS-NXEZZACHSA-N 0 1 235.331 2.370 20 0 BEADMN CC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000227006248 171139940 /nfs/dbraw/zinc/13/99/40/171139940.db2.gz FTXAMYHWQRKAPC-LDYMZIIASA-N 0 1 229.283 2.091 20 0 BEADMN CC[C@@H]1Cc2ccccc2CN1CC1OCCO1 ZINC000274422138 171143558 /nfs/dbraw/zinc/14/35/58/171143558.db2.gz GPUAPWSXQQLFAG-CQSZACIVSA-N 0 1 247.338 2.196 20 0 BEADMN CC[C@@]1(C)CN(C[C@@H](O)CCC(C)C)CCO1 ZINC000361337024 171203137 /nfs/dbraw/zinc/20/31/37/171203137.db2.gz PLTRJOYHPBJYKC-KBPBESRZSA-N 0 1 243.391 2.284 20 0 BEADMN CC[C@H](C(=O)Nc1ccc(F)cc1)N(C)C ZINC000120126640 171234186 /nfs/dbraw/zinc/23/41/86/171234186.db2.gz XUZSUAKDWABKJQ-LLVKDONJSA-N 0 1 224.279 2.104 20 0 BEADMN CC[C@H](C(=O)Nc1ccc2[nH]ccc2c1)N(C)C ZINC000124690499 171234303 /nfs/dbraw/zinc/23/43/03/171234303.db2.gz JMZMNFMNFABSHI-CYBMUJFWSA-N 0 1 245.326 2.447 20 0 BEADMN CC[C@H](C(=O)Nc1cc(F)cc(F)c1)N(C)C ZINC000268758199 171234510 /nfs/dbraw/zinc/23/45/10/171234510.db2.gz ZBWWVFKERBUZFC-LLVKDONJSA-N 0 1 242.269 2.244 20 0 BEADMN CC[C@H](C(=O)Nc1nc(C)c(C)s1)N(C)C ZINC000177979502 171235364 /nfs/dbraw/zinc/23/53/64/171235364.db2.gz IEOFDCNUPRRQIT-SECBINFHSA-N 0 1 241.360 2.039 20 0 BEADMN CC[C@H](C(=O)Nc1ccc2c(c1)CCC2)N(C)C ZINC000268723052 171235467 /nfs/dbraw/zinc/23/54/67/171235467.db2.gz ILKURQBOQDFFJA-CQSZACIVSA-N 0 1 246.354 2.454 20 0 BEADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1 ZINC000042435840 171236051 /nfs/dbraw/zinc/23/60/51/171236051.db2.gz KKOONHSIPFZEMA-GFCCVEGCSA-N 0 1 221.300 2.290 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224794379 171238025 /nfs/dbraw/zinc/23/80/25/171238025.db2.gz QIODVIUOPVKGGK-CHWSQXEVSA-N 0 1 233.311 2.339 20 0 BEADMN CC[C@H](C(=O)OC)N1CC[C@H](C)C(C)(C)C1 ZINC000354031942 171242159 /nfs/dbraw/zinc/24/21/59/171242159.db2.gz RLOXOGOWCOHPAR-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN CC[C@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000313324620 171249386 /nfs/dbraw/zinc/24/93/86/171249386.db2.gz MWZNYIPONBBBNU-JSGCOSHPSA-N 0 1 246.354 2.206 20 0 BEADMN CC[C@H](C)CCC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286407157 171268660 /nfs/dbraw/zinc/26/86/60/171268660.db2.gz OVLYAEVYEYAWCG-DTWKUNHWSA-N 0 1 238.335 2.117 20 0 BEADMN CC[C@H](C)CCC(=O)Nc1nc(SC)n[nH]1 ZINC000285955136 171269255 /nfs/dbraw/zinc/26/92/55/171269255.db2.gz KIMKKBWMCYGPKD-ZETCQYMHSA-N 0 1 242.348 2.291 20 0 BEADMN CC[C@H](C)C[N@@H+](C)CCCCC(=O)[O-] ZINC000037173651 171273063 /nfs/dbraw/zinc/27/30/63/171273063.db2.gz OGILPDZYTVDIGG-JTQLQIEISA-N 0 1 201.310 2.219 20 0 BEADMN CC[C@H](C)CN(CC)Cc1cnns1 ZINC000336701494 171277695 /nfs/dbraw/zinc/27/76/95/171277695.db2.gz XYOBZQSVVJUBBU-VIFPVBQESA-N 0 1 213.350 2.406 20 0 BEADMN CC[C@H](C)CN(CC)Cc1nc(C)no1 ZINC000336645090 171277775 /nfs/dbraw/zinc/27/77/75/171277775.db2.gz HPRGUHXCDIIKGT-VIFPVBQESA-N 0 1 211.309 2.246 20 0 BEADMN CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000300228319 171279605 /nfs/dbraw/zinc/27/96/05/171279605.db2.gz MQFNVYYNDWAMFB-AXFHLTTASA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H](C)CN1CCOC[C@H]1CC(F)F ZINC000353268876 171280898 /nfs/dbraw/zinc/28/08/98/171280898.db2.gz SQTGPBULQFJDKK-VHSXEESVSA-N 0 1 221.291 2.389 20 0 BEADMN CC[C@H](C)C[C@H](C)Nc1nc2[nH]ncc2c(=O)[nH]1 ZINC000290864350 171298642 /nfs/dbraw/zinc/29/86/42/171298642.db2.gz YZBHCNLEINITHS-YUMQZZPRSA-N 0 1 249.318 2.295 20 0 BEADMN CC[C@H](C)C[C@H](C)NC(=O)c1cnccc1N ZINC000128070588 171298741 /nfs/dbraw/zinc/29/87/41/171298741.db2.gz IBVSGWLSHBBOQF-UWVGGRQHSA-N 0 1 235.331 2.218 20 0 BEADMN CC[C@H](C)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000104687596 171305459 /nfs/dbraw/zinc/30/54/59/171305459.db2.gz OLJXQTLXMWVLLX-JTQLQIEISA-N 0 1 238.306 2.495 20 0 BEADMN CC[C@H](C)N(CCCOC(C)C)CC(=O)OC ZINC000337247501 171314484 /nfs/dbraw/zinc/31/44/84/171314484.db2.gz PCAUDDFXWPPBCZ-LBPRGKRZSA-N 0 1 245.363 2.075 20 0 BEADMN CC[C@H](C)N(OC)C(=O)c1cc(C2CC2)n[nH]1 ZINC000269246309 171316370 /nfs/dbraw/zinc/31/63/70/171316370.db2.gz WPFWKKBDWZDUPC-QMMMGPOBSA-N 0 1 237.303 2.089 20 0 BEADMN CC[C@H](C)NC(=O)C[N@@H+](CC)CC1CCC1 ZINC000361480714 171324161 /nfs/dbraw/zinc/32/41/61/171324161.db2.gz FEKHAVPXNKBFEM-NSHDSACASA-N 0 1 226.364 2.023 20 0 BEADMN CC[C@H](C)[C@@H](C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000341794787 171358665 /nfs/dbraw/zinc/35/86/65/171358665.db2.gz CWHQRBYYGFSXMC-RWMBFGLXSA-N 0 1 240.391 2.221 20 0 BEADMN CC[C@H](C)[C@@H](C)N(Cc1cn(C)nn1)C1CC1 ZINC000341622221 171362162 /nfs/dbraw/zinc/36/21/62/171362162.db2.gz RSRUEHOBZMIZFC-WDEREUQCSA-N 0 1 236.363 2.214 20 0 BEADMN CC[C@H](C)[C@@H](C)NC(=O)[C@](C)(N)c1ccccc1 ZINC000052882838 171364143 /nfs/dbraw/zinc/36/41/43/171364143.db2.gz JIEDBGIMIZSLEG-YWPYICTPSA-N 0 1 248.370 2.411 20 0 BEADMN CC[C@H](C)[C@@H](C)Nc1ncnc2[nH]cnc21 ZINC000042557222 171367551 /nfs/dbraw/zinc/36/75/51/171367551.db2.gz OOAJLKWCDDBTIF-JGVFFNPUSA-N 0 1 219.292 2.199 20 0 BEADMN CC(C)(C)c1nc(CN2CC3CC2(C)C3)n[nH]1 ZINC000662385120 412137618 /nfs/dbraw/zinc/13/76/18/412137618.db2.gz KDQRISKWQQTENV-UHFFFAOYSA-N 0 1 234.347 2.087 20 0 BEADMN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000356808150 171384640 /nfs/dbraw/zinc/38/46/40/171384640.db2.gz XJRFWGREDJTPFR-GARJFASQSA-N 0 1 249.358 2.065 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C)no1 ZINC000309169166 171390360 /nfs/dbraw/zinc/39/03/60/171390360.db2.gz KOLVLAMHAANLCH-CIUDSAMLSA-N 0 1 211.309 2.463 20 0 BEADMN CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc(C)o1 ZINC000183037617 171390536 /nfs/dbraw/zinc/39/05/36/171390536.db2.gz SVDDKJPPAVFELF-CIUDSAMLSA-N 0 1 211.309 2.463 20 0 BEADMN Cc1nnsc1CN(C)C[C@H]1CC1(C)C ZINC000662343578 412111637 /nfs/dbraw/zinc/11/16/37/412111637.db2.gz MHQIAELIWLJJRC-SECBINFHSA-N 0 1 225.361 2.324 20 0 BEADMN COc1cc(CN(C)C[C@H]2CC2(C)C)on1 ZINC000662343222 412112201 /nfs/dbraw/zinc/11/22/01/412112201.db2.gz JFPDQNWNOBHINJ-SECBINFHSA-N 0 1 224.304 2.161 20 0 BEADMN CC[C@H](CNCc1nc2ccccc2n1C)OC ZINC000289883319 171438531 /nfs/dbraw/zinc/43/85/31/171438531.db2.gz SAQVSIAPHZFUCT-LLVKDONJSA-N 0 1 247.342 2.088 20 0 BEADMN CN(C(=O)c1ccn[nH]1)C(C)(C)c1ccccc1 ZINC000671586036 487622333 /nfs/dbraw/zinc/62/23/33/487622333.db2.gz XOUKJAIGUVIHMI-UHFFFAOYSA-N 0 1 243.310 2.417 20 0 BEADMN Cc1noc([C@@H](C)N(C)C[C@H]2CC2(C)C)n1 ZINC000662348883 412118087 /nfs/dbraw/zinc/11/80/87/412118087.db2.gz XOZUUCJSRHKBDH-PSASIEDQSA-N 0 1 223.320 2.417 20 0 BEADMN OCc1cnc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000665178110 412121371 /nfs/dbraw/zinc/12/13/71/412121371.db2.gz VUSRBSNCNAMOOJ-UHFFFAOYSA-N 0 1 249.217 2.044 20 0 BEADMN C[C@@H]1CN(CCCCF)C[C@@](C)(C(F)F)O1 ZINC000662359633 412124263 /nfs/dbraw/zinc/12/42/63/412124263.db2.gz MGINHNZNGSGPOU-KOLCDFICSA-N 0 1 239.281 2.481 20 0 BEADMN C[C@]1(C(F)F)CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662367492 412125320 /nfs/dbraw/zinc/12/53/20/412125320.db2.gz JDRTWAVILQZVRP-LSCVPOLPSA-N 0 1 245.313 2.389 20 0 BEADMN CCCN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662365350 412125518 /nfs/dbraw/zinc/12/55/18/412125518.db2.gz RZELTIBSJXBLCS-PSASIEDQSA-N 0 1 207.264 2.141 20 0 BEADMN COc1ncccc1CN1CC2CC1(C)C2 ZINC000662385069 412136108 /nfs/dbraw/zinc/13/61/08/412136108.db2.gz HTHHAHOWLINHFX-UHFFFAOYSA-N 0 1 218.300 2.075 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)N1CCNC[C@H]1C ZINC000662404724 412151885 /nfs/dbraw/zinc/15/18/85/412151885.db2.gz UVMIOTUSFRYZLZ-JHJVBQTASA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1C[C@H]1C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000665351123 412280643 /nfs/dbraw/zinc/28/06/43/412280643.db2.gz QUDMAAFBOOVQGX-ZJUUUORDSA-N 0 1 213.321 2.075 20 0 BEADMN c1c[nH]c(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000665286041 412230621 /nfs/dbraw/zinc/23/06/21/412230621.db2.gz CRULMVNGCKKVER-LLVKDONJSA-N 0 1 205.305 2.032 20 0 BEADMN CC(C)n1ncnc1CN1CC[C@@H](C2CCC2)C1 ZINC000665290308 412235977 /nfs/dbraw/zinc/23/59/77/412235977.db2.gz SUKASPMRYVQSAH-CYBMUJFWSA-N 0 1 248.374 2.481 20 0 BEADMN N[C@H](C(=O)NC1CC2(CCC2)C1)c1ccccc1 ZINC000662910293 412342469 /nfs/dbraw/zinc/34/24/69/412342469.db2.gz RCSRAPGJGVXATH-ZDUSSCGKSA-N 0 1 244.338 2.135 20 0 BEADMN CCC[C@H]1CCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000662773934 412298334 /nfs/dbraw/zinc/29/83/34/412298334.db2.gz XCIAAECTSCYUJO-RWMBFGLXSA-N 0 1 238.375 2.023 20 0 BEADMN CCc1cc(C(=O)N2CCC[C@H](C3CC3)C2)n[nH]1 ZINC000290801982 171750465 /nfs/dbraw/zinc/75/04/65/171750465.db2.gz FHSBBPATZYZYSX-NSHDSACASA-N 0 1 247.342 2.234 20 0 BEADMN NC1(c2noc(C3CC4(CC4)C3)n2)CCC1 ZINC000663251919 412401346 /nfs/dbraw/zinc/40/13/46/412401346.db2.gz YGXBLLQDXKHSGA-UHFFFAOYSA-N 0 1 219.288 2.065 20 0 BEADMN CCCc1nccnc1NCc1cn[nH]c1C ZINC000663258892 412402491 /nfs/dbraw/zinc/40/24/91/412402491.db2.gz LZZFWHQGIXATJY-UHFFFAOYSA-N 0 1 231.303 2.073 20 0 BEADMN CCc1nc([C@@H](C)NCC[C@@H](C)O)cs1 ZINC000309050529 172001948 /nfs/dbraw/zinc/00/19/48/172001948.db2.gz QUCZBOHAZXJBKH-RKDXNWHRSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nc([C@@H](C)NCC[C@H](C)O)cs1 ZINC000309050527 172002509 /nfs/dbraw/zinc/00/25/09/172002509.db2.gz QUCZBOHAZXJBKH-DTWKUNHWSA-N 0 1 228.361 2.127 20 0 BEADMN CCc1nc([C@H](C)N[C@H](C)c2cccnc2)n[nH]1 ZINC000271492997 172007325 /nfs/dbraw/zinc/00/73/25/172007325.db2.gz LFBGOTWKUZQWRV-ZJUUUORDSA-N 0 1 245.330 2.174 20 0 BEADMN CCc1nnc(CN(C)[C@H](C)C(C)C)o1 ZINC000355264542 172048607 /nfs/dbraw/zinc/04/86/07/172048607.db2.gz LLWVAVZGSFLQIF-SECBINFHSA-N 0 1 211.309 2.108 20 0 BEADMN CCc1nnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)o1 ZINC000336726077 172049665 /nfs/dbraw/zinc/04/96/65/172049665.db2.gz VPLOHTMVSQLHIF-VWYCJHECSA-N 0 1 237.347 2.498 20 0 BEADMN CCc1nnc(CN2CC[C@@H]3CCC[C@@H]32)o1 ZINC000336346073 172050786 /nfs/dbraw/zinc/05/07/86/172050786.db2.gz RDGVGNFUPLLWOV-UWVGGRQHSA-N 0 1 221.304 2.006 20 0 BEADMN CCc1nnc(CNCC(C)(C)C)s1 ZINC000336646918 172051957 /nfs/dbraw/zinc/05/19/57/172051957.db2.gz DLAWEXVVPVBYOL-UHFFFAOYSA-N 0 1 213.350 2.236 20 0 BEADMN CCc1nnc(CNC2CC(CC)C2)s1 ZINC000336758423 172052110 /nfs/dbraw/zinc/05/21/10/172052110.db2.gz JVBRFFRJIYMAPA-UHFFFAOYSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H](C)[C@H](C)CC)o1 ZINC000183013780 172053630 /nfs/dbraw/zinc/05/36/30/172053630.db2.gz DBKZENYFYGLXAB-BDAKNGLRSA-N 0 1 211.309 2.156 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@@H]2CC)s1 ZINC000336734562 172053858 /nfs/dbraw/zinc/05/38/58/172053858.db2.gz NIAJPMDJXVYGMK-DTWKUNHWSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(CN[C@@H]2CC[C@@H](C)C2)s1 ZINC000309039998 172054012 /nfs/dbraw/zinc/05/40/12/172054012.db2.gz KQUWMAYPQJMLMW-RKDXNWHRSA-N 0 1 225.361 2.379 20 0 BEADMN CCc1nnc(SCCCCF)[nH]1 ZINC000285218181 172062174 /nfs/dbraw/zinc/06/21/74/172062174.db2.gz PXLMAZKOUBHURD-UHFFFAOYSA-N 0 1 203.286 2.209 20 0 BEADMN CCc1n[nH]c(SCCCCF)n1 ZINC000285218181 172062177 /nfs/dbraw/zinc/06/21/77/172062177.db2.gz PXLMAZKOUBHURD-UHFFFAOYSA-N 0 1 203.286 2.209 20 0 BEADMN CCc1nc(SCc2nccs2)n[nH]1 ZINC000162250318 172063842 /nfs/dbraw/zinc/06/38/42/172063842.db2.gz ZRHSURYVJNQTOO-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1n[nH]c(SCc2nccs2)n1 ZINC000162250318 172063845 /nfs/dbraw/zinc/06/38/45/172063845.db2.gz ZRHSURYVJNQTOO-UHFFFAOYSA-N 0 1 226.330 2.116 20 0 BEADMN CCc1nnc([C@@H](C)N(C)CC(C)C)o1 ZINC000340686080 172064280 /nfs/dbraw/zinc/06/42/80/172064280.db2.gz PKTJGRRPSAZCSM-SECBINFHSA-N 0 1 211.309 2.281 20 0 BEADMN CCc1noc(CC)c1CNCc1cc[nH]c1 ZINC000088745698 172083451 /nfs/dbraw/zinc/08/34/51/172083451.db2.gz OSTYDWFYJXDPIA-UHFFFAOYSA-N 0 1 233.315 2.417 20 0 BEADMN CCc1nocc1CN(C)CC(O)(CC)CC ZINC000339601677 172092624 /nfs/dbraw/zinc/09/26/24/172092624.db2.gz JCNKKKKQJWRHQK-UHFFFAOYSA-N 0 1 240.347 2.220 20 0 BEADMN CCc1nocc1CN(C)CC[C@@H](C)F ZINC000339603519 172093159 /nfs/dbraw/zinc/09/31/59/172093159.db2.gz OFSFLXLHNNQCBZ-SECBINFHSA-N 0 1 214.284 2.417 20 0 BEADMN CCc1nocc1CN(CC)C[C@@H](C)OC ZINC000353569151 172094802 /nfs/dbraw/zinc/09/48/02/172094802.db2.gz NMWDOAJVBYJATB-SNVBAGLBSA-N 0 1 226.320 2.094 20 0 BEADMN CCc1nsc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000271292308 172106660 /nfs/dbraw/zinc/10/66/60/172106660.db2.gz FCRINUHPLSGNLW-MRVPVSSYSA-N 0 1 249.343 2.313 20 0 BEADMN CCn1c(-c2ccoc2)n[n-]c1=[NH+]C(C)(C)C ZINC000361318311 172131377 /nfs/dbraw/zinc/13/13/77/172131377.db2.gz KBOUSSFLHOROEJ-UHFFFAOYSA-N 0 1 234.303 2.190 20 0 BEADMN CCn1c(C)nnc1CN(C)[C@@H](C)C1CCC1 ZINC000357028116 172138891 /nfs/dbraw/zinc/13/88/91/172138891.db2.gz BBXUTQSFUAFHNZ-JTQLQIEISA-N 0 1 236.363 2.227 20 0 BEADMN CCn1cc(CN2CCS[C@H](C)[C@@H]2C)cn1 ZINC000093499919 172164206 /nfs/dbraw/zinc/16/42/06/172164206.db2.gz YUDJVQZSFKAEED-WDEREUQCSA-N 0 1 239.388 2.229 20 0 BEADMN CCn1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)cn1 ZINC000222520810 172195222 /nfs/dbraw/zinc/19/52/22/172195222.db2.gz OTGDOOJCFJEFSF-NXEZZACHSA-N 0 1 233.319 2.038 20 0 BEADMN CCn1cc([C@H](C)NCc2cccc(O)c2)cn1 ZINC000154429384 172197626 /nfs/dbraw/zinc/19/76/26/172197626.db2.gz CCPUORCBAMMZHH-NSHDSACASA-N 0 1 245.326 2.459 20 0 BEADMN CCn1ccnc1CN1CC2CCC1CC2 ZINC000378376872 172218780 /nfs/dbraw/zinc/21/87/80/172218780.db2.gz ANNQXIUYMSMEPY-UHFFFAOYSA-N 0 1 219.332 2.277 20 0 BEADMN CCn1ccnc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000367459669 172220116 /nfs/dbraw/zinc/22/01/16/172220116.db2.gz VIDYGCBLLRRPLG-STQMWFEESA-N 0 1 249.358 2.046 20 0 BEADMN CCn1nccc1CN(C)CCCCCF ZINC000352341786 172264605 /nfs/dbraw/zinc/26/46/05/172264605.db2.gz KBTGPVKYNINRCW-UHFFFAOYSA-N 0 1 227.327 2.475 20 0 BEADMN CCn1nccc1CN[C@H](C)c1cccc(O)c1 ZINC000119086302 172272176 /nfs/dbraw/zinc/27/21/76/172272176.db2.gz JRJIXVMOFKDTJM-LLVKDONJSA-N 0 1 245.326 2.459 20 0 BEADMN CCn1nnc(C)c1CN1CC(C)=C[C@H](C)C1 ZINC000336229104 172286276 /nfs/dbraw/zinc/28/62/76/172286276.db2.gz VDVJZYFUJJGWLL-JTQLQIEISA-N 0 1 234.347 2.004 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)C1(CF)CCC1 ZINC000335394284 487624390 /nfs/dbraw/zinc/62/43/90/487624390.db2.gz GMWHOQWNEFYSPU-UHFFFAOYSA-N 0 1 248.261 2.036 20 0 BEADMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000177283698 172333900 /nfs/dbraw/zinc/33/39/00/172333900.db2.gz HUOBUZBEAYCRBN-NSHDSACASA-N 0 1 247.342 2.231 20 0 BEADMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CC1(C)C ZINC000336112578 172336774 /nfs/dbraw/zinc/33/67/74/172336774.db2.gz QAXGRACMOOHZDR-LLVKDONJSA-N 0 1 233.315 2.158 20 0 BEADMN CN(CC1CCC1)C(=O)c1cccc2n[nH]cc21 ZINC000336475942 172655222 /nfs/dbraw/zinc/65/52/22/172655222.db2.gz CQZFDEVVAZLTRG-UHFFFAOYSA-N 0 1 243.310 2.435 20 0 BEADMN CN1CCC[C@@H]1C(=O)NCCCCC(C)(C)C ZINC000355694161 173026009 /nfs/dbraw/zinc/02/60/09/173026009.db2.gz AASLEULHPUGIBU-GFCCVEGCSA-N 0 1 240.391 2.413 20 0 BEADMN CN1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000113415690 173026193 /nfs/dbraw/zinc/02/61/93/173026193.db2.gz QUYRBBFOCYYXTB-CYBMUJFWSA-N 0 1 243.310 2.201 20 0 BEADMN CN1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000154395917 173086750 /nfs/dbraw/zinc/08/67/50/173086750.db2.gz DGYRAJAPSHSGDY-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CN1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000188819194 173088095 /nfs/dbraw/zinc/08/80/95/173088095.db2.gz BQPUKMDQSNIFMV-UHFFFAOYSA-N 0 1 242.725 2.227 20 0 BEADMN CC[C@H](C)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662226400 487626612 /nfs/dbraw/zinc/62/66/12/487626612.db2.gz RGEWTJXJNCDKHX-JTQLQIEISA-N 0 1 215.337 2.465 20 0 BEADMN CNCc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790672 173394434 /nfs/dbraw/zinc/39/44/34/173394434.db2.gz YWAIFNBPRMOKFC-UHFFFAOYSA-N 0 1 241.653 2.249 20 0 BEADMN CNCc1nc(COc2ccccc2)cs1 ZINC000052668031 173395416 /nfs/dbraw/zinc/39/54/16/173395416.db2.gz CHUXVGFQYPQFDV-UHFFFAOYSA-N 0 1 234.324 2.442 20 0 BEADMN CN[C@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000054053177 173450509 /nfs/dbraw/zinc/45/05/09/173450509.db2.gz QQOHUZXNGGTPGJ-SECBINFHSA-N 0 1 217.272 2.325 20 0 BEADMN COC(=O)c1cc(CN2CCCC2)c(C)s1 ZINC000089100058 173854052 /nfs/dbraw/zinc/85/40/52/173854052.db2.gz HHFFCWPQBUEGEZ-UHFFFAOYSA-N 0 1 239.340 2.439 20 0 BEADMN COC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000345346890 174003771 /nfs/dbraw/zinc/00/37/71/174003771.db2.gz DIHMRJRRUNYIEM-VXGBXAGGSA-N 0 1 249.358 2.438 20 0 BEADMN COC1(CN[C@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000345346888 174005307 /nfs/dbraw/zinc/00/53/07/174005307.db2.gz DIHMRJRRUNYIEM-RYUDHWBXSA-N 0 1 249.358 2.438 20 0 BEADMN COC1CC(NCc2nc(C3CC3)cs2)C1 ZINC000309593420 174018602 /nfs/dbraw/zinc/01/86/02/174018602.db2.gz VNRBVBKVCIRMAO-UHFFFAOYSA-N 0 1 238.356 2.288 20 0 BEADMN COC1CC(NCc2c(F)cc(F)cc2F)C1 ZINC000354328711 174018938 /nfs/dbraw/zinc/01/89/38/174018938.db2.gz OGYSFYPRXGOFRC-UHFFFAOYSA-N 0 1 245.244 2.371 20 0 BEADMN COC1CCC(N(C)Cc2ncc(C)cn2)CC1 ZINC000336714057 174022274 /nfs/dbraw/zinc/02/22/74/174022274.db2.gz PZGJBFXIYVLKAU-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN COC1CCC(N(C)Cc2nccc(C)n2)CC1 ZINC000336698651 174022710 /nfs/dbraw/zinc/02/27/10/174022710.db2.gz GDGFKZDYTMTAEO-UHFFFAOYSA-N 0 1 249.358 2.174 20 0 BEADMN COCC(C)(C)NCc1nc(C)sc1C ZINC000336757789 174082543 /nfs/dbraw/zinc/08/25/43/174082543.db2.gz JISJPEIYLYHAJM-UHFFFAOYSA-N 0 1 228.361 2.275 20 0 BEADMN COCC1=CCN(Cc2occc2C)CC1 ZINC000274956133 174117565 /nfs/dbraw/zinc/11/75/65/174117565.db2.gz SZFJRJRRBFOCOZ-UHFFFAOYSA-N 0 1 221.300 2.367 20 0 BEADMN COCCC1(CN[C@@H](C)c2cc(C)on2)CC1 ZINC000353260214 174155697 /nfs/dbraw/zinc/15/56/97/174155697.db2.gz SZNSULILDBTCCT-NSHDSACASA-N 0 1 238.331 2.450 20 0 BEADMN COCCC1(CN[C@H](C)c2cc(C)on2)CC1 ZINC000353260212 174156237 /nfs/dbraw/zinc/15/62/37/174156237.db2.gz SZNSULILDBTCCT-LLVKDONJSA-N 0 1 238.331 2.450 20 0 BEADMN COCCN(C)Cc1cc(Cl)cs1 ZINC000278400701 174280463 /nfs/dbraw/zinc/28/04/63/174280463.db2.gz FSTLRHKOOYXBIE-UHFFFAOYSA-N 0 1 219.737 2.480 20 0 BEADMN COCCN(C)Cc1cc(C)ccc1F ZINC000271031214 174281723 /nfs/dbraw/zinc/28/17/23/174281723.db2.gz HELRITLPLGNERH-UHFFFAOYSA-N 0 1 211.280 2.212 20 0 BEADMN COCCN(CCC(F)(F)F)C1CC1 ZINC000355883402 174289394 /nfs/dbraw/zinc/28/93/94/174289394.db2.gz UUJPKUHFRGYMKN-UHFFFAOYSA-N 0 1 211.227 2.050 20 0 BEADMN COCCNC1(c2nc(C)cs2)CCCC1 ZINC000053288705 174330581 /nfs/dbraw/zinc/33/05/81/174330581.db2.gz JIAVNOMZKPGEMU-UHFFFAOYSA-N 0 1 240.372 2.457 20 0 BEADMN COCCNCc1cc(Cl)ccc1F ZINC000053292841 174334725 /nfs/dbraw/zinc/33/47/25/174334725.db2.gz PLSZYYDJBWGMAV-UHFFFAOYSA-N 0 1 217.671 2.215 20 0 BEADMN COCCN[C@H](c1ccccc1)c1ccccn1 ZINC000019881333 174339647 /nfs/dbraw/zinc/33/96/47/174339647.db2.gz BQWRTCBCDNTZFC-OAHLLOKOSA-N 0 1 242.322 2.407 20 0 BEADMN COCCOc1ccc([C@H](C)NCCF)cc1 ZINC000281196375 174368648 /nfs/dbraw/zinc/36/86/48/174368648.db2.gz XXFVOUKWJXWUNW-NSHDSACASA-N 0 1 241.306 2.332 20 0 BEADMN COCCOc1ccccc1CN[C@H](C)CF ZINC000288562982 174369477 /nfs/dbraw/zinc/36/94/77/174369477.db2.gz YYCKRKANBNDKAX-LLVKDONJSA-N 0 1 241.306 2.159 20 0 BEADMN COCCSCCCN[C@H](C)c1ccon1 ZINC000336768590 174375245 /nfs/dbraw/zinc/37/52/45/174375245.db2.gz RAEVDGCXTUJHNY-SNVBAGLBSA-N 0 1 244.360 2.095 20 0 BEADMN COCC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000283443998 174385645 /nfs/dbraw/zinc/38/56/45/174385645.db2.gz IDYMIFDDQXOVRF-PSASIEDQSA-N 0 1 212.293 2.059 20 0 BEADMN COCC[C@@H](c1ccccc1)N1CCOCC1 ZINC000339865936 174395076 /nfs/dbraw/zinc/39/50/76/174395076.db2.gz LNITZLHQLSVDAD-AWEZNQCLSA-N 0 1 235.327 2.096 20 0 BEADMN COCC[C@@H]1CCCCN(Cc2ncccn2)C1 ZINC000361753283 174395559 /nfs/dbraw/zinc/39/55/59/174395559.db2.gz HTDNBYIAOAKYTG-ZDUSSCGKSA-N 0 1 249.358 2.115 20 0 BEADMN COC[C@@H]1CCCCN(Cc2cc(C)on2)C1 ZINC000372106567 174500472 /nfs/dbraw/zinc/50/04/72/174500472.db2.gz ACZVGSSHQLGAHN-GFCCVEGCSA-N 0 1 238.331 2.232 20 0 BEADMN CCN(C)[C@@H](C(=O)N[C@@H]1C[C@H]1C)c1ccccc1 ZINC000671594012 487628553 /nfs/dbraw/zinc/62/85/53/487628553.db2.gz OJZMSKGYVKCORR-MRVWCRGKSA-N 0 1 246.354 2.204 20 0 BEADMN CO[C@H](C)CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000272840982 174812581 /nfs/dbraw/zinc/81/25/81/174812581.db2.gz OQJGCDDUWCDZMO-SECBINFHSA-N 0 1 247.298 2.317 20 0 BEADMN CO[C@H](C)CCN[C@H](C)c1cscn1 ZINC000271178334 174818982 /nfs/dbraw/zinc/81/89/82/174818982.db2.gz VJMFDOMASHCEIK-RKDXNWHRSA-N 0 1 214.334 2.219 20 0 BEADMN COc1cc(CN[C@H](C)c2ccncc2)ccn1 ZINC000062057829 174986302 /nfs/dbraw/zinc/98/63/02/174986302.db2.gz MEEJITOHBNPUBS-LLVKDONJSA-N 0 1 243.310 2.336 20 0 BEADMN COc1cc(NCc2[nH]ncc2C)ccc1F ZINC000289636014 175003428 /nfs/dbraw/zinc/00/34/28/175003428.db2.gz XHFDUZDNADBWNW-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc(CNCc2cnc(C)s2)cn1 ZINC000037505548 175108284 /nfs/dbraw/zinc/10/82/84/175108284.db2.gz NXQNUOSDCHWVEH-UHFFFAOYSA-N 0 1 249.339 2.145 20 0 BEADMN COc1ccc(CN[C@@H](C)c2ccccc2)nn1 ZINC000282629655 175109032 /nfs/dbraw/zinc/10/90/32/175109032.db2.gz ATYIWSSYHVDIIA-NSHDSACASA-N 0 1 243.310 2.336 20 0 BEADMN COc1ccc(CN[C@@H](C)CF)c(C)c1OC ZINC000342198815 175109260 /nfs/dbraw/zinc/10/92/60/175109260.db2.gz JBUYCFSZVRAXGQ-VIFPVBQESA-N 0 1 241.306 2.460 20 0 BEADMN COc1ccc(CN[C@@H]2CCC[C@H]2F)cn1 ZINC000339582641 175109814 /nfs/dbraw/zinc/10/98/14/175109814.db2.gz HAJNAZIGSWAZBW-GHMZBOCLSA-N 0 1 224.279 2.070 20 0 BEADMN COc1ccc(CN[C@@H]2CCC[C@@H]2F)cn1 ZINC000339582644 175110424 /nfs/dbraw/zinc/11/04/24/175110424.db2.gz HAJNAZIGSWAZBW-WDEREUQCSA-N 0 1 224.279 2.070 20 0 BEADMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000229883286 175110889 /nfs/dbraw/zinc/11/08/89/175110889.db2.gz OSYFRYKYXHCYFH-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN COc1ccc(F)c(CN(C)C2CC2)c1 ZINC000295218810 175124067 /nfs/dbraw/zinc/12/40/67/175124067.db2.gz BMVJEZDQAUPKQX-UHFFFAOYSA-N 0 1 209.264 2.429 20 0 BEADMN COc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1 ZINC000103962606 175140202 /nfs/dbraw/zinc/14/02/02/175140202.db2.gz AHZCYDZQBYASKP-UHFFFAOYSA-N 0 1 230.267 2.198 20 0 BEADMN COc1ccc(NC(=O)[C@@H](C)N2CCCC2)cc1 ZINC000008142247 175144437 /nfs/dbraw/zinc/14/44/37/175144437.db2.gz BIPCQQVMNSLZEU-LLVKDONJSA-N 0 1 248.326 2.118 20 0 BEADMN COc1ccc(NCc2[nH]ncc2C)cc1F ZINC000289973401 175152851 /nfs/dbraw/zinc/15/28/51/175152851.db2.gz RIEJWGKGCILKJI-UHFFFAOYSA-N 0 1 235.262 2.478 20 0 BEADMN COc1ccc([C@@H](C)NCc2ccnn2C)cc1 ZINC000071138728 175176669 /nfs/dbraw/zinc/17/66/69/175176669.db2.gz RQIIKLPEWUJUGC-LLVKDONJSA-N 0 1 245.326 2.280 20 0 BEADMN COc1ccc2c(c1F)CC[C@H]2NCCF ZINC000290511256 175221386 /nfs/dbraw/zinc/22/13/86/175221386.db2.gz YNPUGHYPMFTTCG-SNVBAGLBSA-N 0 1 227.254 2.381 20 0 BEADMN COc1cccc(CCCN2CCO[C@@H](C)C2)c1 ZINC000172742249 175251529 /nfs/dbraw/zinc/25/15/29/175251529.db2.gz IRYQYXPFUKQTJP-ZDUSSCGKSA-N 0 1 249.354 2.349 20 0 BEADMN COc1cccc(CN(C(C)C)C2COC2)c1 ZINC000295963289 175253213 /nfs/dbraw/zinc/25/32/13/175253213.db2.gz IACHUCBSTGJCMX-UHFFFAOYSA-N 0 1 235.327 2.304 20 0 BEADMN COc1cccc(CN2CCOCC3(CC3)C2)c1 ZINC000336443216 175258408 /nfs/dbraw/zinc/25/84/08/175258408.db2.gz NGVDLAVXNNXIBX-UHFFFAOYSA-N 0 1 247.338 2.308 20 0 BEADMN COc1cccc(CN2CC[C@@H](SC)C2)n1 ZINC000295067869 175260154 /nfs/dbraw/zinc/26/01/54/175260154.db2.gz OZKMLMPHZWVOIQ-LLVKDONJSA-N 0 1 238.356 2.028 20 0 BEADMN COc1cccc(Sc2nccnc2CN)c1 ZINC000054378800 175285695 /nfs/dbraw/zinc/28/56/95/175285695.db2.gz HRNCNSAACKCFHD-UHFFFAOYSA-N 0 1 247.323 2.095 20 0 BEADMN COc1cccc2c1CCN(CCC(C)=O)C2 ZINC000182667770 175301094 /nfs/dbraw/zinc/30/10/94/175301094.db2.gz DHTAFLKZTMALJA-UHFFFAOYSA-N 0 1 233.311 2.032 20 0 BEADMN COc1ccccc1-c1cc([C@H](C)N)on1 ZINC000082368583 175308849 /nfs/dbraw/zinc/30/88/49/175308849.db2.gz OJQKKHBYXHULJL-QMMMGPOBSA-N 0 1 218.256 2.370 20 0 BEADMN COc1ccccc1CN(C)Cc1cnc[nH]1 ZINC000179588963 175324846 /nfs/dbraw/zinc/32/48/46/175324846.db2.gz SWNOKFLMIIFYBP-UHFFFAOYSA-N 0 1 231.299 2.050 20 0 BEADMN COc1ccccc1CN(C)[C@@H]1CCCOC1 ZINC000336707225 175325396 /nfs/dbraw/zinc/32/53/96/175325396.db2.gz OMMBPABHAHENJX-CYBMUJFWSA-N 0 1 235.327 2.306 20 0 BEADMN COc1ccsc1CN(C)C[C@@H]1CCCO1 ZINC000271043817 175376672 /nfs/dbraw/zinc/37/66/72/175376672.db2.gz KJWCNZZJJORVGZ-JTQLQIEISA-N 0 1 241.356 2.368 20 0 BEADMN COc1ccsc1CN(C)C[C@@H](C)OC ZINC000289953908 175376888 /nfs/dbraw/zinc/37/68/88/175376888.db2.gz YVBJZLDGMYHSEO-SECBINFHSA-N 0 1 229.345 2.223 20 0 BEADMN COc1ccsc1CNCc1ccn(C)c1 ZINC000166725829 175377975 /nfs/dbraw/zinc/37/79/75/175377975.db2.gz HWWZZWYCNDTOIA-UHFFFAOYSA-N 0 1 236.340 2.385 20 0 BEADMN COc1ccsc1CN[C@H](C)CF ZINC000288457220 175379224 /nfs/dbraw/zinc/37/92/24/175379224.db2.gz NPOGCNNNDGNXDW-SSDOTTSWSA-N 0 1 203.282 2.204 20 0 BEADMN COc1cncc(CN2CCCCC2)c1 ZINC000290209520 175383812 /nfs/dbraw/zinc/38/38/12/175383812.db2.gz HFIAECFSYJVHTB-UHFFFAOYSA-N 0 1 206.289 2.076 20 0 BEADMN COc1cncc(CN2CC[C@@H](SC)C2)c1 ZINC000296118838 175385502 /nfs/dbraw/zinc/38/55/02/175385502.db2.gz FKKWTALBPVCTBG-GFCCVEGCSA-N 0 1 238.356 2.028 20 0 BEADMN COc1coc(CN2CCC3(CCC3)C2)cc1=O ZINC000268434359 175387337 /nfs/dbraw/zinc/38/73/37/175387337.db2.gz DPQGOMQAFSXRQD-UHFFFAOYSA-N 0 1 249.310 2.024 20 0 BEADMN CSCC[C@@H](C)N(C)Cc1cc(C)n(C)n1 ZINC000336664989 175501879 /nfs/dbraw/zinc/50/18/79/175501879.db2.gz DZYZZDXXQRNRRB-SNVBAGLBSA-N 0 1 241.404 2.302 20 0 BEADMN C[C@@H](N[C@@H]1COCC1(C)C)c1nccs1 ZINC000313122932 175917518 /nfs/dbraw/zinc/91/75/18/175917518.db2.gz LRTXIKJNHXFJTR-RKDXNWHRSA-N 0 1 226.345 2.219 20 0 BEADMN C[C@@H](O)c1ncc(CN(C)C2CCC2)s1 ZINC000290175942 176000718 /nfs/dbraw/zinc/00/07/18/176000718.db2.gz YTXSTNHOSKAQEG-MRVPVSSYSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](CO)C1 ZINC000304416532 176012879 /nfs/dbraw/zinc/01/28/79/176012879.db2.gz DALQFQKLFYLPHP-UWVGGRQHSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](CO)C1 ZINC000269493355 176013014 /nfs/dbraw/zinc/01/30/14/176013014.db2.gz ZIIMKYJHQVNUJQ-VHSXEESVSA-N 0 1 241.281 2.340 20 0 BEADMN C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](O)C1 ZINC000114204160 176014768 /nfs/dbraw/zinc/01/47/68/176014768.db2.gz HUKJFMLJJQYTPD-JOYOIKCWSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@@H](c1ccc(F)cc1F)N(C)CCCO ZINC000299409411 176015122 /nfs/dbraw/zinc/01/51/22/176015122.db2.gz ZFNCMKRTPQLJNP-VIFPVBQESA-N 0 1 229.270 2.340 20 0 BEADMN C[C@@H](c1cccc(F)c1)[N@@H+](C)CCC(=O)[O-] ZINC000082717801 176018561 /nfs/dbraw/zinc/01/85/61/176018561.db2.gz UCFQJRCVLOIGCB-VIFPVBQESA-N 0 1 225.263 2.293 20 0 BEADMN C[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000264992581 176019059 /nfs/dbraw/zinc/01/90/59/176019059.db2.gz QPURCIJQCWTTDO-GXTWGEPZSA-N 0 1 246.354 2.300 20 0 BEADMN C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCC(=O)[O-] ZINC000086802225 176019585 /nfs/dbraw/zinc/01/95/85/176019585.db2.gz QLZFAGSAFHWDRZ-JTQLQIEISA-N 0 1 237.299 2.250 20 0 BEADMN C[C@@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000123005749 176031641 /nfs/dbraw/zinc/03/16/41/176031641.db2.gz CMHPLRVWJPEHLM-QWRGUYRKSA-N 0 1 209.289 2.451 20 0 BEADMN C[C@@H](c1cnccn1)N1CCCOC(C)(C)C1 ZINC000373344302 176037683 /nfs/dbraw/zinc/03/76/83/176037683.db2.gz HZRNWCWMLVZXJP-NSHDSACASA-N 0 1 235.331 2.039 20 0 BEADMN C[C@@H](c1nc(C2(N)CCC2)no1)C(C)(F)F ZINC000335478821 176038583 /nfs/dbraw/zinc/03/85/83/176038583.db2.gz NTFXCHHSFUCVRM-LURJTMIESA-N 0 1 231.246 2.166 20 0 BEADMN C[C@@H](c1nncn1C)N1CCC2(CCCC2)C1 ZINC000376553993 176039760 /nfs/dbraw/zinc/03/97/60/176039760.db2.gz OXVFKQQPTKYJNM-NSHDSACASA-N 0 1 234.347 2.142 20 0 BEADMN C[C@@H]1C(=O)N(C)CCN1CCC1CCCCC1 ZINC000361602622 176043179 /nfs/dbraw/zinc/04/31/79/176043179.db2.gz KBIMLMBBCWQUQW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000132030076 176068466 /nfs/dbraw/zinc/06/84/66/176068466.db2.gz JCEVJACLLIVZHQ-GHMZBOCLSA-N 0 1 247.342 2.231 20 0 BEADMN C[C@@H]1CCCC[N@H+]1Cc1occc1C(=O)[O-] ZINC000035432919 176074425 /nfs/dbraw/zinc/07/44/25/176074425.db2.gz IGAHZIWKWMYJET-SECBINFHSA-N 0 1 223.272 2.352 20 0 BEADMN C[C@@H]1CCCCN1Cc1cn2cccnc2n1 ZINC000123890502 176074470 /nfs/dbraw/zinc/07/44/70/176074470.db2.gz XXZWUKGZYLOHIP-LLVKDONJSA-N 0 1 230.315 2.104 20 0 BEADMN C[C@@H]1CCCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000192903252 176076391 /nfs/dbraw/zinc/07/63/91/176076391.db2.gz VYLZGZGKAOUJOP-VXGBXAGGSA-N 0 1 249.358 2.285 20 0 BEADMN C[C@@H]1CCCC[C@H]1NCc1csnn1 ZINC000036901936 176088746 /nfs/dbraw/zinc/08/87/46/176088746.db2.gz DKPPSBRFSYTRAA-PSASIEDQSA-N 0 1 211.334 2.206 20 0 BEADMN C[C@@H](O)c1ncc(CN2CCC[C@@H](C)C2)s1 ZINC000289096660 176102028 /nfs/dbraw/zinc/10/20/28/176102028.db2.gz LSMYQWYJGSNOOR-NXEZZACHSA-N 0 1 240.372 2.428 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2occc2C(=O)[O-])C1 ZINC000035432932 176103206 /nfs/dbraw/zinc/10/32/06/176103206.db2.gz HPUGTZJHKNZUCV-SECBINFHSA-N 0 1 223.272 2.210 20 0 BEADMN C[C@@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000267657527 176107611 /nfs/dbraw/zinc/10/76/11/176107611.db2.gz BBZMTKZAPAVDNN-SECBINFHSA-N 0 1 229.283 2.187 20 0 BEADMN C[C@@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000154444055 176108597 /nfs/dbraw/zinc/10/85/97/176108597.db2.gz YVNOPWQQAZNDBB-LLVKDONJSA-N 0 1 218.300 2.109 20 0 BEADMN C[C@@H]1CCC[C@H](CNC(=O)c2cnccc2N)C1 ZINC000187509304 176138825 /nfs/dbraw/zinc/13/88/25/176138825.db2.gz DBVJFEDUKWQLNC-MNOVXSKESA-N 0 1 247.342 2.220 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1C ZINC000177009046 176162625 /nfs/dbraw/zinc/16/26/25/176162625.db2.gz KSRGGPGJLDPGAO-RKDXNWHRSA-N 0 1 233.315 2.158 20 0 BEADMN C[C@@H]1CCN(CC(=O)c2cccn2C)[C@H](C)C1 ZINC000051733532 176168142 /nfs/dbraw/zinc/16/81/42/176168142.db2.gz GXNBBEROUQJWKL-VXGBXAGGSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@@H]1CC[N@@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000040718715 176169784 /nfs/dbraw/zinc/16/97/84/176169784.db2.gz UFMPVMQLXBZPQT-LLVKDONJSA-N 0 1 249.310 2.105 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(Cl)o2)[C@H]1CO ZINC000336505675 176174374 /nfs/dbraw/zinc/17/43/74/176174374.db2.gz AXZBKOBMXFXGRJ-SCZZXKLOSA-N 0 1 229.707 2.136 20 0 BEADMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]1CO ZINC000249007488 176174380 /nfs/dbraw/zinc/17/43/80/176174380.db2.gz ZRDRHCLRBAUJHK-RNCFNFMXSA-N 0 1 241.281 2.168 20 0 BEADMN C[C@@H]1CCN(c2ccncc2C(N)=O)C[C@@H](C)C1 ZINC000302154658 176181442 /nfs/dbraw/zinc/18/14/42/176181442.db2.gz MZQCNLYPOMHZGG-MNOVXSKESA-N 0 1 247.342 2.053 20 0 BEADMN C[C@@H]1C[C@H](C)CCN(c2ncnc3[nH]cnc32)C1 ZINC000301762122 176183332 /nfs/dbraw/zinc/18/33/32/176183332.db2.gz DHMOQFSIKPBIKA-NXEZZACHSA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H]1CC[C@@H](C)N1C(=O)c1cnc(C2CC2)[nH]1 ZINC000335430312 176199004 /nfs/dbraw/zinc/19/90/04/176199004.db2.gz DHXLRGNYJNNZLX-RKDXNWHRSA-N 0 1 233.315 2.300 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCn3cccc3[C@H]2C)O1 ZINC000248993653 176204458 /nfs/dbraw/zinc/20/44/58/176204458.db2.gz YYDOEYHLVLVFOL-UPJWGTAASA-N 0 1 234.343 2.432 20 0 BEADMN C[C@H]1CC[C@H](Nc2ncnc3[nH]cnc32)CC1 ZINC000252955967 176215486 /nfs/dbraw/zinc/21/54/86/176215486.db2.gz JENODMRMFWSKPC-KYZUINATSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)[C@@H]2CCCC[C@@H]21 ZINC000183852913 176260422 /nfs/dbraw/zinc/26/04/22/176260422.db2.gz YVHJPIBEGFSJBL-CKYFFXLPSA-N 0 1 233.315 2.060 20 0 BEADMN C[C@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1C ZINC000091327252 176265874 /nfs/dbraw/zinc/26/58/74/176265874.db2.gz OODCHULUHVTPTG-AOOOYVTPSA-N 0 1 243.310 2.291 20 0 BEADMN C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)[C@@H]1C ZINC000294400941 176266199 /nfs/dbraw/zinc/26/61/99/176266199.db2.gz YPOOEKBOFUUUJC-RKDXNWHRSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@@H]1CN(CCCCOC(C)(C)C)CCC1=O ZINC000338565592 176288411 /nfs/dbraw/zinc/28/84/11/176288411.db2.gz ZIFWVXKVOXEQDS-GFCCVEGCSA-N 0 1 241.375 2.493 20 0 BEADMN C[C@@H]1CN(CCOC2CCC2)C[C@@H](C2CC2)O1 ZINC000367871356 176292730 /nfs/dbraw/zinc/29/27/30/176292730.db2.gz CQTBFSMWAKCVQH-RISCZKNCSA-N 0 1 239.359 2.055 20 0 BEADMN C[C@@H]1CN(CC[C@H](O)c2ccccc2)[C@H](C)CO1 ZINC000053932648 176294755 /nfs/dbraw/zinc/29/47/55/176294755.db2.gz QNNVEGRARYVNHE-NFAWXSAZSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)[C@@H]1C ZINC000292869558 176297096 /nfs/dbraw/zinc/29/70/96/176297096.db2.gz AXKRIZHFUQOUCD-JRKPZEMJSA-N 0 1 241.281 2.338 20 0 BEADMN C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1C ZINC000275759202 176301061 /nfs/dbraw/zinc/30/10/61/176301061.db2.gz UNYJIVSKQGOIQV-DTORHVGOSA-N 0 1 227.739 2.161 20 0 BEADMN C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CO ZINC000191724589 176302463 /nfs/dbraw/zinc/30/24/63/176302463.db2.gz GRJFQCWXFRWELR-BDAKNGLRSA-N 0 1 245.775 2.462 20 0 BEADMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280196457 176306011 /nfs/dbraw/zinc/30/60/11/176306011.db2.gz HQLFWQSNZFSDEE-UKRRQHHQSA-N 0 1 247.338 2.066 20 0 BEADMN C[C@@H]1CN(Cc2cccc(O)c2)CCS1 ZINC000131402489 176306549 /nfs/dbraw/zinc/30/65/49/176306549.db2.gz QPBCNSATNUWVRX-SNVBAGLBSA-N 0 1 223.341 2.330 20 0 BEADMN C[C@@H]1CN(Cc2ccccn2)CCS1 ZINC000171688050 176307543 /nfs/dbraw/zinc/30/75/43/176307543.db2.gz BECAORGOWNCBDX-SNVBAGLBSA-N 0 1 208.330 2.019 20 0 BEADMN C[C@@H]1CN(Cc2cccnc2N)CCC1(F)F ZINC000295263978 176307739 /nfs/dbraw/zinc/30/77/39/176307739.db2.gz YKXPQMDQDNFILC-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN C[C@@H]1CN(Cc2ccn(C)c2)CC(C)(C)O1 ZINC000119518108 176308194 /nfs/dbraw/zinc/30/81/94/176308194.db2.gz VICZJFPORMFEAP-LLVKDONJSA-N 0 1 222.332 2.024 20 0 BEADMN C[C@@H]1CN(Cc2ccnc(N)c2)CCC1(F)F ZINC000289687801 176308409 /nfs/dbraw/zinc/30/84/09/176308409.db2.gz GTXRICFYVDPZHY-SECBINFHSA-N 0 1 241.285 2.141 20 0 BEADMN C[C@@H]1CN(Cc2cnn3ccccc23)CCS1 ZINC000179432351 176310156 /nfs/dbraw/zinc/31/01/56/176310156.db2.gz DCYUCUHLLSLKMH-LLVKDONJSA-N 0 1 247.367 2.272 20 0 BEADMN C[C@@H]1CN([C@@H]2CCc3ccccc3NC2=O)[C@@H]1C ZINC000339579283 176315474 /nfs/dbraw/zinc/31/54/74/176315474.db2.gz BMHNYQBSMCJMEA-JTNHKYCSSA-N 0 1 244.338 2.280 20 0 BEADMN C[C@@H]1CNCCN1C(=O)CCC1CCCCC1 ZINC000054369830 176326078 /nfs/dbraw/zinc/32/60/78/176326078.db2.gz DLVIIUCTVZEWFR-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1COc2ccccc2CN1Cc1cnc[nH]1 ZINC000280170766 176347821 /nfs/dbraw/zinc/34/78/21/176347821.db2.gz FZOBNYKNWBWFKT-LLVKDONJSA-N 0 1 243.310 2.193 20 0 BEADMN C[C@@H]1CSCCN1Cc1cnn2ccccc12 ZINC000179664796 176351022 /nfs/dbraw/zinc/35/10/22/176351022.db2.gz KEPHFGCRMTUXQZ-LLVKDONJSA-N 0 1 247.367 2.272 20 0 BEADMN C[C@@H]1CSC[C@H]1Nc1ccc2nn[nH]c2c1 ZINC000295913160 176357057 /nfs/dbraw/zinc/35/70/57/176357057.db2.gz ZOXJRNASXJJGGD-RDDDGLTNSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@@H]1CSC[C@H]1Nc1ccc2n[nH]nc2c1 ZINC000295913160 176357059 /nfs/dbraw/zinc/35/70/59/176357059.db2.gz ZOXJRNASXJJGGD-RDDDGLTNSA-N 0 1 234.328 2.121 20 0 BEADMN C[C@@H]1C[C@@H](C)N1CCn1cc(Cl)cn1 ZINC000334722524 176364334 /nfs/dbraw/zinc/36/43/34/176364334.db2.gz UBKICJJRAVJNAJ-RKDXNWHRSA-N 0 1 213.712 2.019 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1sccc1Cl ZINC000306955296 176382756 /nfs/dbraw/zinc/38/27/56/176382756.db2.gz QEZGTKZYJKSVFQ-HTQZYQBOSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@@H]1OCC[C@H]1NCc1cc(F)cnc1Cl ZINC000295181004 176480168 /nfs/dbraw/zinc/48/01/68/176480168.db2.gz VTKFPHVYLCLADX-OIBJUYFYSA-N 0 1 244.697 2.141 20 0 BEADMN C[C@H](CCC1CC1)Nc1ncnc2[nH]cnc21 ZINC000302221110 176617446 /nfs/dbraw/zinc/61/74/46/176617446.db2.gz NQHPXBPFIZYASO-MRVPVSSYSA-N 0 1 231.303 2.344 20 0 BEADMN C[C@@H](C[N@@H+](CCC1CCC1)C1CC1)C(=O)[O-] ZINC000659788088 487635218 /nfs/dbraw/zinc/63/52/18/487635218.db2.gz FZLGZYMGAOGDQR-JTQLQIEISA-N 0 1 225.332 2.362 20 0 BEADMN C[C@H](NCc1cc[nH]c1)c1ccccn1 ZINC000080773300 176874137 /nfs/dbraw/zinc/87/41/37/176874137.db2.gz RAMFYECBYAELNJ-JTQLQIEISA-N 0 1 201.273 2.261 20 0 BEADMN C[C@H](O)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000162769441 177009376 /nfs/dbraw/zinc/00/93/76/177009376.db2.gz OWMKAACZIBYQAF-GXSJLCMTSA-N 0 1 241.281 2.168 20 0 BEADMN Cc1cnccc1CN1CCCc2n[nH]cc2C1 ZINC000668843002 487636599 /nfs/dbraw/zinc/63/65/99/487636599.db2.gz UQLVOSOWFRQLSL-UHFFFAOYSA-N 0 1 242.326 2.062 20 0 BEADMN C[C@H](O)c1ncc(CN2CCC[C@@H]2C)s1 ZINC000289023722 177019720 /nfs/dbraw/zinc/01/97/20/177019720.db2.gz AVXOFUWCRYSTJG-IUCAKERBSA-N 0 1 226.345 2.181 20 0 BEADMN C[C@H](Sc1c[nH]nn1)c1cccnc1 ZINC000334911983 177029713 /nfs/dbraw/zinc/02/97/13/177029713.db2.gz KFUHXPFNYSBIAH-ZETCQYMHSA-N 0 1 206.274 2.053 20 0 BEADMN C[C@H](Sc1nc(N)cc(N)n1)c1ccccc1 ZINC000070192921 177030184 /nfs/dbraw/zinc/03/01/84/177030184.db2.gz NUKGIKIJLCBBJX-QMMMGPOBSA-N 0 1 246.339 2.494 20 0 BEADMN C[C@H](c1cc(F)ccc1F)N1CCN(C)CC1 ZINC000123959448 177031768 /nfs/dbraw/zinc/03/17/68/177031768.db2.gz BECJEFJVVSTLGE-SNVBAGLBSA-N 0 1 240.297 2.273 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@H](O)C1 ZINC000114194440 177032855 /nfs/dbraw/zinc/03/28/55/177032855.db2.gz HUKJFMLJJQYTPD-SKDRFNHKSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](O)C1 ZINC000114204162 177033068 /nfs/dbraw/zinc/03/30/68/177033068.db2.gz HUKJFMLJJQYTPD-BXKDBHETSA-N 0 1 225.719 2.468 20 0 BEADMN C[C@H](c1ccc(F)cc1F)N1CC[C@@](C)(O)C1 ZINC000177969787 177033970 /nfs/dbraw/zinc/03/39/70/177033970.db2.gz ARLQZBNJPTYUQZ-NOZJJQNGSA-N 0 1 241.281 2.483 20 0 BEADMN C[C@H](c1ccccc1F)N(C)CCn1cncn1 ZINC000264159451 177042093 /nfs/dbraw/zinc/04/20/93/177042093.db2.gz XYAOQYGNDQAHMB-LLVKDONJSA-N 0 1 248.305 2.110 20 0 BEADMN C[C@H](c1cccnc1)N(C)CCOCC(F)F ZINC000189778313 177044673 /nfs/dbraw/zinc/04/46/73/177044673.db2.gz WDCILCFYPYMYIN-SNVBAGLBSA-N 0 1 244.285 2.356 20 0 BEADMN C[C@H](c1ccco1)N(C(=O)c1cnc[nH]1)C1CC1 ZINC000264664027 177046724 /nfs/dbraw/zinc/04/67/24/177046724.db2.gz WQDBGJKMYXJRCP-SECBINFHSA-N 0 1 245.282 2.369 20 0 BEADMN C[C@H]1CCCCN(Cc2nnc3n2CCCC3)C1 ZINC000336544571 177071327 /nfs/dbraw/zinc/07/13/27/177071327.db2.gz JMVSZINKZXZOPW-LBPRGKRZSA-N 0 1 248.374 2.236 20 0 BEADMN C[C@H]1CCCCN(Cc2cnns2)C1 ZINC000336257779 177071376 /nfs/dbraw/zinc/07/13/76/177071376.db2.gz UGDYRFHHYJEQBW-VIFPVBQESA-N 0 1 211.334 2.160 20 0 BEADMN C[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000045053676 177073733 /nfs/dbraw/zinc/07/37/33/177073733.db2.gz HIRUAXFETCHKIG-VIFPVBQESA-N 0 1 233.315 2.302 20 0 BEADMN C[C@H]1CCCC[C@H]1CNCc1csnn1 ZINC000042858521 177086115 /nfs/dbraw/zinc/08/61/15/177086115.db2.gz LVUVQRBRTSFRRB-UWVGGRQHSA-N 0 1 225.361 2.454 20 0 BEADMN C[C@H]1CCCC[C@H]1NC(=O)[C@H](N)c1ccccc1 ZINC000034651143 177088298 /nfs/dbraw/zinc/08/82/98/177088298.db2.gz WSBQEESNWKTLSS-IACUBPJLSA-N 0 1 246.354 2.381 20 0 BEADMN C[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000131558853 177093572 /nfs/dbraw/zinc/09/35/72/177093572.db2.gz HSDIDAFAYGVNPR-WDEREUQCSA-N 0 1 247.342 2.088 20 0 BEADMN C[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123188770 177095347 /nfs/dbraw/zinc/09/53/47/177095347.db2.gz WKSNNDVWGUPAHM-VIFPVBQESA-N 0 1 237.274 2.403 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)c1cccn1C ZINC000050565774 177096592 /nfs/dbraw/zinc/09/65/92/177096592.db2.gz UJGAQYYRBLUOBN-NWDGAFQWSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@H]1CCCN1C(=O)c1cccc2n[nH]cc21 ZINC000267657528 177107825 /nfs/dbraw/zinc/10/78/25/177107825.db2.gz BBZMTKZAPAVDNN-VIFPVBQESA-N 0 1 229.283 2.187 20 0 BEADMN C[C@H]1CCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000072874577 177110631 /nfs/dbraw/zinc/11/06/31/177110631.db2.gz XXIRVRRTHHBQCO-QMMMGPOBSA-N 0 1 249.339 2.381 20 0 BEADMN C[C@H]1CCCN1Cc1ccc([S@](C)=O)cc1 ZINC000124390890 177110682 /nfs/dbraw/zinc/11/06/82/177110682.db2.gz PYOGYIGPHXYUMB-MEDUHNTESA-N 0 1 237.368 2.408 20 0 BEADMN C[C@H]1CCCN1Cc1nc(-c2ccco2)no1 ZINC000076117880 177110967 /nfs/dbraw/zinc/11/09/67/177110967.db2.gz YQXSBGIOZVMJKE-VIFPVBQESA-N 0 1 233.271 2.314 20 0 BEADMN C[C@H]1CCC[C@@H](CNc2ccncc2C(N)=O)C1 ZINC000302205882 177120701 /nfs/dbraw/zinc/12/07/01/177120701.db2.gz DIFGWWDCBIWUBE-WDEREUQCSA-N 0 1 247.342 2.419 20 0 BEADMN C[C@H]1CCC[C@H](C)N1C(=O)c1coc(CN)c1 ZINC000187187844 177131074 /nfs/dbraw/zinc/13/10/74/177131074.db2.gz WOINJSGZGCVCSA-UWVGGRQHSA-N 0 1 236.315 2.141 20 0 BEADMN C[C@H]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000336352035 177140439 /nfs/dbraw/zinc/14/04/39/177140439.db2.gz DBWOZWXIGJGBSF-UWVGGRQHSA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H]1CCC[C@H]1NC(=O)c1cnccc1N(C)C ZINC000273445510 177141822 /nfs/dbraw/zinc/14/18/22/177141822.db2.gz BSNMFBHHLVFGEH-CMPLNLGQSA-N 0 1 247.342 2.066 20 0 BEADMN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2cncn2c1 ZINC000284549780 177153861 /nfs/dbraw/zinc/15/38/61/177153861.db2.gz BKFSDKSILUZBSB-WDEREUQCSA-N 0 1 243.310 2.205 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1ccn(C)n1 ZINC000271201642 177166522 /nfs/dbraw/zinc/16/65/22/177166522.db2.gz WLIZNXHJDBLQPK-WDEREUQCSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@@H]1C[C@@H](C)CCN1Cc1nccn1C ZINC000119117177 177168226 /nfs/dbraw/zinc/16/82/26/177168226.db2.gz QRSABTFSJYUFLY-WDEREUQCSA-N 0 1 207.321 2.041 20 0 BEADMN C[C@H]1CCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000263655132 177168538 /nfs/dbraw/zinc/16/85/38/177168538.db2.gz CMXCLIHCDYFUGX-JTQLQIEISA-N 0 1 242.326 2.054 20 0 BEADMN C[C@H]1CCN(c2ncnc3[nH]cnc32)C[C@H](C)C1 ZINC000301762124 177173154 /nfs/dbraw/zinc/17/31/54/177173154.db2.gz DHMOQFSIKPBIKA-VHSXEESVSA-N 0 1 245.330 2.225 20 0 BEADMN C[C@@H]1CC[C@H](C)CN1CC(=O)c1cccn1C ZINC000088706286 177184672 /nfs/dbraw/zinc/18/46/72/177184672.db2.gz ZXOSQNNIUPQGMZ-NWDGAFQWSA-N 0 1 234.343 2.328 20 0 BEADMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(O)cc1 ZINC000336540067 177186232 /nfs/dbraw/zinc/18/62/32/177186232.db2.gz UMGXESQDPSBQBZ-PHIMTYICSA-N 0 1 248.326 2.204 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H](C)N1C ZINC000358736897 177214691 /nfs/dbraw/zinc/21/46/91/177214691.db2.gz MRXJKUHDTXRGFN-TXEJJXNPSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C(=O)c2ccn[nH]2)[C@@H]1c1ccccc1 ZINC000173991727 177226172 /nfs/dbraw/zinc/22/61/72/177226172.db2.gz SUUFXBQUXRECLT-GWCFXTLKSA-N 0 1 241.294 2.243 20 0 BEADMN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc2n[nH]cc21 ZINC000294067919 177227954 /nfs/dbraw/zinc/22/79/54/177227954.db2.gz LIRZJDXHXZZCKB-DTWKUNHWSA-N 0 1 229.283 2.043 20 0 BEADMN C[C@@H]1[C@@H](C)CN1CC(=O)N(C)C1CCCCC1 ZINC000336468597 177241638 /nfs/dbraw/zinc/24/16/38/177241638.db2.gz XMLFYPKJUHDRKZ-NWDGAFQWSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(CC(C)(C)O)C[C@H](c2ccccc2)O1 ZINC000264414598 177245752 /nfs/dbraw/zinc/24/57/52/177245752.db2.gz HCGZMGHQSPWYIG-GXTWGEPZSA-N 0 1 249.354 2.219 20 0 BEADMN C[C@H]1CN(CCCCOC(C)(C)C)CCO1 ZINC000339587063 177248303 /nfs/dbraw/zinc/24/83/03/177248303.db2.gz DZXGVNWWCOXTID-LBPRGKRZSA-N 0 1 229.364 2.302 20 0 BEADMN C[C@H]1CN(CCCCO)[C@H](c2ccccc2)CO1 ZINC000266526508 177248809 /nfs/dbraw/zinc/24/88/09/177248809.db2.gz DTVYFAFEUPLOJX-ZFWWWQNUSA-N 0 1 249.354 2.221 20 0 BEADMN C[C@H]1CN(CCc2ccncc2)C[C@H](C2CC2)O1 ZINC000279415129 177255495 /nfs/dbraw/zinc/25/54/95/177255495.db2.gz WHBPLQKBAIWSKY-SWLSCSKDSA-N 0 1 246.354 2.123 20 0 BEADMN C[C@H]1CN(Cc2cc(F)ncc2F)C[C@@H]1C ZINC000294813328 177261032 /nfs/dbraw/zinc/26/10/32/177261032.db2.gz MDPKDKKNSSYPRQ-IUCAKERBSA-N 0 1 226.270 2.448 20 0 BEADMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(Cl)o1 ZINC000361155764 177262140 /nfs/dbraw/zinc/26/21/40/177262140.db2.gz PZPIYYCJJCRIGF-VHSXEESVSA-N 0 1 242.750 2.457 20 0 BEADMN C[C@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000179869548 177265417 /nfs/dbraw/zinc/26/54/17/177265417.db2.gz CWHVNNTZYPYKQV-NSHDSACASA-N 0 1 230.311 2.389 20 0 BEADMN C[C@H]1CN(c2nc3ccccc3o2)[C@@H](C)CN1C ZINC000336382719 177277877 /nfs/dbraw/zinc/27/78/77/177277877.db2.gz KDLUPGLXTBLOBF-QWRGUYRKSA-N 0 1 245.326 2.357 20 0 BEADMN C[C@H]1COC(C)(C)CN1Cc1ccc(CO)cc1 ZINC000336605802 177287057 /nfs/dbraw/zinc/28/70/57/177287057.db2.gz CQUSXOPZBBGDJN-LBPRGKRZSA-N 0 1 249.354 2.178 20 0 BEADMN CC[C@@H](C)CN(C)Cc1nnc2ccccn21 ZINC000674865148 487637751 /nfs/dbraw/zinc/63/77/51/487637751.db2.gz UIJNVRYUUZVKPL-LLVKDONJSA-N 0 1 232.331 2.207 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cccc(C(=O)N(C)C)c1 ZINC000336622778 177319811 /nfs/dbraw/zinc/31/98/11/177319811.db2.gz OLFRHQFPOWUKJH-TXEJJXNPSA-N 0 1 246.354 2.371 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cnc2ccccn12 ZINC000335841647 177320217 /nfs/dbraw/zinc/32/02/17/177320217.db2.gz QYHHNJVWECPKSK-PHIMTYICSA-N 0 1 215.300 2.317 20 0 BEADMN C[C@H]1C[C@@H](O)CN1Cc1ccc(Cl)s1 ZINC000307287269 177337723 /nfs/dbraw/zinc/33/77/23/177337723.db2.gz UGUSMLOWYOQYDA-JGVFFNPUSA-N 0 1 231.748 2.357 20 0 BEADMN C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 ZINC000124905635 177353067 /nfs/dbraw/zinc/35/30/67/177353067.db2.gz JLGVCHVIQUITCR-NHCYSSNCSA-N 0 1 233.315 2.203 20 0 BEADMN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C[C@H](C)O1 ZINC000378454155 177371482 /nfs/dbraw/zinc/37/14/82/177371482.db2.gz PVLUZHQLIJYLLK-LFSVMHDDSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2C=C[C@H](CO)C2)o1 ZINC000268768757 177387131 /nfs/dbraw/zinc/38/71/31/177387131.db2.gz CZHBVSHWOGBZHM-CIQGVGRVSA-N 0 1 247.338 2.430 20 0 BEADMN CCC(CC)CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000668305191 487638278 /nfs/dbraw/zinc/63/82/78/487638278.db2.gz HAGZEWRESQOBRT-LLVKDONJSA-N 0 1 249.358 2.067 20 0 BEADMN C[C@H]1OCCN(CCc2ccccc2)[C@@H]1C ZINC000139344528 177398183 /nfs/dbraw/zinc/39/81/83/177398183.db2.gz WEZILPMUTKJYET-CHWSQXEVSA-N 0 1 219.328 2.338 20 0 BEADMN Cc1nccc(NC[C@H](CO)C(C)C)c1Cl ZINC000336697540 177517947 /nfs/dbraw/zinc/51/79/47/177517947.db2.gz ZEWMKRUBJCHPDE-SNVBAGLBSA-N 0 1 242.750 2.142 20 0 BEADMN Cc1nccc(NC[C@H]2CCC[C@@H]2O)c1Cl ZINC000334583451 177518104 /nfs/dbraw/zinc/51/81/04/177518104.db2.gz YZJRXFCIMZELKG-KOLCDFICSA-N 0 1 240.734 2.038 20 0 BEADMN Cc1n[nH]c(C(=O)NC2(C)CCCCC2)c1C ZINC000265164523 177536209 /nfs/dbraw/zinc/53/62/09/177536209.db2.gz BVSSNGSLAFGEIA-UHFFFAOYSA-N 0 1 235.331 2.479 20 0 BEADMN CCC[C@]1(NCc2ncccc2F)CCOC1 ZINC001652446353 1173082541 /nfs/dbraw/zinc/08/25/41/1173082541.db2.gz IPAVDHJMPVPJHB-ZDUSSCGKSA-N 0 1 238.306 2.270 20 0 BEADMN CCN(Cc1nc(C)cs1)C[C@H]1CCOC1 ZINC000674872786 487640635 /nfs/dbraw/zinc/64/06/35/487640635.db2.gz KCJKQXRXQWLIIW-LLVKDONJSA-N 0 1 240.372 2.310 20 0 BEADMN CCc1ncc(CNC(=O)[C@H]2CC[C@H](C)C2)[nH]1 ZINC001652464171 1173086650 /nfs/dbraw/zinc/08/66/50/1173086650.db2.gz WRLFYKXNDJBIQS-UWVGGRQHSA-N 0 1 235.331 2.025 20 0 BEADMN OC[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000449425234 224886490 /nfs/dbraw/zinc/88/64/90/224886490.db2.gz HLGIPDMWQUEEBP-SFYZADRCSA-N 0 1 246.763 2.047 20 0 BEADMN OCCCCNCc1coc(-c2ccccc2)n1 ZINC000487177065 225289760 /nfs/dbraw/zinc/28/97/60/225289760.db2.gz CBDOZKKWYNDMOZ-UHFFFAOYSA-N 0 1 246.310 2.204 20 0 BEADMN C[C@@H]1C[C@H]1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000488324489 225372903 /nfs/dbraw/zinc/37/29/03/225372903.db2.gz ATYDWWNCDYFBGF-ZLDLUXBVSA-N 0 1 247.338 2.422 20 0 BEADMN C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H](C)N1C ZINC000493420954 226211721 /nfs/dbraw/zinc/21/17/21/226211721.db2.gz LCGRVLDMMMZWQB-GRPTYIHUSA-N 0 1 238.375 2.140 20 0 BEADMN C[C@@H]1CC[C@@H](N(C)CN2CC(C)(C)OC2=O)C1 ZINC000496849517 226315741 /nfs/dbraw/zinc/31/57/41/226315741.db2.gz CLLOFFKRYHDQJE-GHMZBOCLSA-N 0 1 240.347 2.295 20 0 BEADMN CCc1nocc1CN(C)[C@H]1CCSC1 ZINC000507187214 226366789 /nfs/dbraw/zinc/36/67/89/226366789.db2.gz JHSPCYDIWGGWSD-JTQLQIEISA-N 0 1 226.345 2.174 20 0 BEADMN COCCn1cc(C[N@@H+](C)[C@@H](C)C(C)C)cn1 ZINC000507234298 226367959 /nfs/dbraw/zinc/36/79/59/226367959.db2.gz XCTQJAWIEHOMAT-LBPRGKRZSA-N 0 1 239.363 2.006 20 0 BEADMN O=C(NCc1ccc2cncn2c1)OC1CCC1 ZINC000496158554 226297894 /nfs/dbraw/zinc/29/78/94/226297894.db2.gz LQNYRTZKUDTYAK-UHFFFAOYSA-N 0 1 245.282 2.113 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000079490684 487650909 /nfs/dbraw/zinc/65/09/09/487650909.db2.gz NMQYUOQAAGUCNB-AWEZNQCLSA-N 0 1 233.311 2.434 20 0 BEADMN Cc1csc(C[N@H+](CCC(=O)[O-])C(C)C)n1 ZINC000087393052 487651968 /nfs/dbraw/zinc/65/19/68/487651968.db2.gz NZRRAEZZEHICNL-UHFFFAOYSA-N 0 1 242.344 2.137 20 0 BEADMN CCC1(CNC(=O)[C@H](C)N(C)C)CCCCC1 ZINC000680828405 487653129 /nfs/dbraw/zinc/65/31/29/487653129.db2.gz XXBVHUDLRPGYNW-LBPRGKRZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](c1ccncc1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000674911209 487653506 /nfs/dbraw/zinc/65/35/06/487653506.db2.gz GZXHDXQHCPHYIX-GXTWGEPZSA-N 0 1 232.327 2.255 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC2)o1 ZINC000087415963 487654917 /nfs/dbraw/zinc/65/49/17/487654917.db2.gz BDOOGNXWZPANSW-UMNHJUIQSA-N 0 1 221.300 2.282 20 0 BEADMN C[C@@H]1C[C@@H](O)CN1Cc1cc2c(cccc2F)[nH]1 ZINC000471810910 533682330 /nfs/dbraw/zinc/68/23/30/533682330.db2.gz QHUQGWJXXJATCE-MWLCHTKSSA-N 0 1 248.301 2.262 20 0 BEADMN CCN1CC[N@H+](CCCc2ccncc2)C[C@H]1C ZINC000680885769 487664578 /nfs/dbraw/zinc/66/45/78/487664578.db2.gz KIMKCCJFPXFOGN-CQSZACIVSA-N 0 1 247.386 2.040 20 0 BEADMN C[C@@H](C(=O)NCCC1CCCC1)N1CC(C)C1 ZINC000557517101 322938597 /nfs/dbraw/zinc/93/85/97/322938597.db2.gz DGEPSGTXYGYJOF-LBPRGKRZSA-N 0 1 238.375 2.023 20 0 BEADMN CCCN1CCN(c2ncc(Cl)s2)CC1 ZINC000680890422 487667308 /nfs/dbraw/zinc/66/73/08/487667308.db2.gz XPQAOXGCEFYSEW-UHFFFAOYSA-N 0 1 245.779 2.329 20 0 BEADMN CC(C)COCCN1CC[C@@H](C)[C@H](F)C1 ZINC000669692075 487668323 /nfs/dbraw/zinc/66/83/23/487668323.db2.gz DDTAKUTZEUOHHY-VXGBXAGGSA-N 0 1 217.328 2.339 20 0 BEADMN CC(C)COCCN1CC[C@H](C)[C@@H](F)C1 ZINC000669692074 487668414 /nfs/dbraw/zinc/66/84/14/487668414.db2.gz DDTAKUTZEUOHHY-RYUDHWBXSA-N 0 1 217.328 2.339 20 0 BEADMN CCCN1CC[C@@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000328348227 487668433 /nfs/dbraw/zinc/66/84/33/487668433.db2.gz MPHQFCSGWMKSCP-CHWSQXEVSA-N 0 1 233.359 2.217 20 0 BEADMN C[C@@H]1CN(c2ncc(Cl)s2)[C@H](C)CN1C ZINC000680898827 487670212 /nfs/dbraw/zinc/67/02/12/487670212.db2.gz MIBDHBWCHMJYPO-HTQZYQBOSA-N 0 1 245.779 2.325 20 0 BEADMN Cc1ncsc1NC(=O)c1ncc(C)cc1O ZINC000487431442 229179061 /nfs/dbraw/zinc/17/90/61/229179061.db2.gz PRRFAVAZLJRIBU-UHFFFAOYSA-N 0 1 249.295 2.113 20 0 BEADMN CCc1noc(C)c1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510155093 229294969 /nfs/dbraw/zinc/29/49/69/229294969.db2.gz VHIUGTHDFDZVSQ-PHIMTYICSA-N 0 1 238.331 2.155 20 0 BEADMN O=C(Nc1ccsc1)[C@@H]1CCc2[nH]cnc2C1 ZINC000668858928 487672859 /nfs/dbraw/zinc/67/28/59/487672859.db2.gz RWAXEALOADSLSM-MRVPVSSYSA-N 0 1 247.323 2.215 20 0 BEADMN COCCNCc1c(F)cc(C)cc1F ZINC000398507813 262762792 /nfs/dbraw/zinc/76/27/92/262762792.db2.gz KYAXQVCODNNHHH-UHFFFAOYSA-N 0 1 215.243 2.009 20 0 BEADMN Cc1ccc(CN2CCCOC[C@@H]2C)cn1 ZINC000680934294 487674663 /nfs/dbraw/zinc/67/46/63/487674663.db2.gz MROUQLUMHASKOW-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN C1CN[C@H](c2noc([C@H]3CCCCS3)n2)C1 ZINC000087682061 487679417 /nfs/dbraw/zinc/67/94/17/487679417.db2.gz FROXYHOHUQYRFL-DTWKUNHWSA-N 0 1 239.344 2.452 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000659799663 487682920 /nfs/dbraw/zinc/68/29/20/487682920.db2.gz GNYQIUBQOGINFY-JQWIXIFHSA-N 0 1 231.295 2.227 20 0 BEADMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000659799667 487682860 /nfs/dbraw/zinc/68/28/60/487682860.db2.gz GNYQIUBQOGINFY-ZYHUDNBSSA-N 0 1 231.295 2.227 20 0 BEADMN CC(C)CCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000666153476 487686499 /nfs/dbraw/zinc/68/64/99/487686499.db2.gz AEGJDLDOJCEMBZ-NSHDSACASA-N 0 1 249.358 2.067 20 0 BEADMN Cc1cncc(C[N@H+](CCC(=O)[O-])C(C)C)c1 ZINC000228612320 487689225 /nfs/dbraw/zinc/68/92/25/487689225.db2.gz YRMODAUAXLAJER-UHFFFAOYSA-N 0 1 236.315 2.075 20 0 BEADMN COc1ccc(CN(C)CC[C@@H](C)O)c(F)c1 ZINC000228635039 487698378 /nfs/dbraw/zinc/69/83/78/487698378.db2.gz FRJRNYNVAQLFRF-SNVBAGLBSA-N 0 1 241.306 2.037 20 0 BEADMN C[C@@H](CNCc1csnn1)CC(F)(F)F ZINC000396907564 262826160 /nfs/dbraw/zinc/82/61/60/262826160.db2.gz LPQXXMJOZDDDOO-ZCFIWIBFSA-N 0 1 239.266 2.216 20 0 BEADMN Cc1csc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n1 ZINC000527802615 262884354 /nfs/dbraw/zinc/88/43/54/262884354.db2.gz AQRCIMSTARTYMP-GMOBBJLQSA-N 0 1 240.372 2.353 20 0 BEADMN COCCC1CCN(Cc2conc2C)CC1 ZINC000528578638 262960808 /nfs/dbraw/zinc/96/08/08/262960808.db2.gz ATMWSAKPKRFSBO-UHFFFAOYSA-N 0 1 238.331 2.232 20 0 BEADMN C[C@@H](c1cnccn1)N1CC[C@H](C(F)F)C1 ZINC000681025516 487701731 /nfs/dbraw/zinc/70/17/31/487701731.db2.gz ZUHIMHVRSLDTDG-IUCAKERBSA-N 0 1 227.258 2.125 20 0 BEADMN CO[C@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000044987294 487704570 /nfs/dbraw/zinc/70/45/70/487704570.db2.gz IUARHXJTBCIERL-NEPJUHHUSA-N 0 1 224.304 2.030 20 0 BEADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C/C=C\c1ccccc1 ZINC000211387084 487713128 /nfs/dbraw/zinc/71/31/28/487713128.db2.gz MLIZLQFAJTXOOH-GPTAZTBJSA-N 0 1 245.322 2.495 20 0 BEADMN CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C ZINC000674244307 487715762 /nfs/dbraw/zinc/71/57/62/487715762.db2.gz BGWXFHUGIUQDCT-JTQLQIEISA-N 0 1 240.372 2.047 20 0 BEADMN CCOc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000676704108 487717025 /nfs/dbraw/zinc/71/70/25/487717025.db2.gz FTLHAZAAXQPMCF-UHFFFAOYSA-N 0 1 245.326 2.440 20 0 BEADMN F[C@@H]1CCCN(CCOCC2CCC2)C1 ZINC000902993580 584711267 /nfs/dbraw/zinc/71/12/67/584711267.db2.gz VRNWJYADMIUXEM-GFCCVEGCSA-N 0 1 215.312 2.237 20 0 BEADMN CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC000548905518 487721752 /nfs/dbraw/zinc/72/17/52/487721752.db2.gz UVBMXYQZJQJEIH-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCNC(=O)CN[C@@H](CC)c1ccccc1F ZINC000163459131 487728920 /nfs/dbraw/zinc/72/89/20/487728920.db2.gz JNZANLKPOUBYRW-LBPRGKRZSA-N 0 1 238.306 2.003 20 0 BEADMN c1[nH]nnc1CSc1ccc2c(c1)CCO2 ZINC000665687223 487729252 /nfs/dbraw/zinc/72/92/52/487729252.db2.gz FQOBGEQCTLIBFJ-UHFFFAOYSA-N 0 1 233.296 2.032 20 0 BEADMN Cc1ccc2c(c1)nc(CNC1CSC1)n2C ZINC000681117705 487731893 /nfs/dbraw/zinc/73/18/93/487731893.db2.gz VXZYYNCIRMUNFQ-UHFFFAOYSA-N 0 1 247.367 2.087 20 0 BEADMN CC(C)OC1CC(N[C@@H](C)c2nccn2C)C1 ZINC000681142156 487737162 /nfs/dbraw/zinc/73/71/62/487737162.db2.gz XIGHWKHXRAWDQK-UNXYVOJBSA-N 0 1 237.347 2.027 20 0 BEADMN CCC(CC)(CC)C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000675475522 487739018 /nfs/dbraw/zinc/73/90/18/487739018.db2.gz JFFLKANSSVINLS-VIFPVBQESA-N 0 1 238.335 2.198 20 0 BEADMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CC12CCC2 ZINC000675477919 487739487 /nfs/dbraw/zinc/73/94/87/487739487.db2.gz BNHQNPCPBPXWGU-VIFPVBQESA-N 0 1 242.282 2.087 20 0 BEADMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000250859633 487742067 /nfs/dbraw/zinc/74/20/67/487742067.db2.gz RUSKJHLHQHOCIH-YPMHNXCESA-N 0 1 231.295 2.080 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000250855497 487742529 /nfs/dbraw/zinc/74/25/29/487742529.db2.gz PFOYESCPLHMVAP-OCCSQVGLSA-N 0 1 245.322 2.471 20 0 BEADMN c1ccc(CCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000071396450 487742952 /nfs/dbraw/zinc/74/29/52/487742952.db2.gz BVRRKGCWWCRRGB-LBPRGKRZSA-N 0 1 243.310 2.279 20 0 BEADMN Cc1cc(-c2nc([C@H]3CCCN3)no2)c(C)o1 ZINC000071396461 487743676 /nfs/dbraw/zinc/74/36/76/487743676.db2.gz QXUQBZOOOIVCHB-SNVBAGLBSA-N 0 1 233.271 2.371 20 0 BEADMN Fc1cccc(Cc2nc([C@H]3CCCN3)no2)c1 ZINC000071396545 487744516 /nfs/dbraw/zinc/74/45/16/487744516.db2.gz FCBWSGKPFQMIKL-LLVKDONJSA-N 0 1 247.273 2.224 20 0 BEADMN CCCOC(=O)[C@@H](C)N(CC)CCC ZINC000741781741 585118703 /nfs/dbraw/zinc/11/87/03/585118703.db2.gz OXZIPAHREFOEBU-SNVBAGLBSA-N 0 1 201.310 2.060 20 0 BEADMN CN(Cn1cc[nH]c1=S)C1CCCC1 ZINC000743349934 585135572 /nfs/dbraw/zinc/13/55/72/585135572.db2.gz WIUWBSXBBBTFCI-UHFFFAOYSA-N 0 1 211.334 2.004 20 0 BEADMN CC[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccc1 ZINC000665958385 487756497 /nfs/dbraw/zinc/75/64/97/487756497.db2.gz YHROPLMCLZTICN-WCQYABFASA-N 0 1 234.343 2.204 20 0 BEADMN C[C@H]1C[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000675720275 487769720 /nfs/dbraw/zinc/76/97/20/487769720.db2.gz VEIDQNNVDURBPI-CRCLSJGQSA-N 0 1 233.193 2.023 20 0 BEADMN Cc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)N(C)C ZINC000674285762 487774125 /nfs/dbraw/zinc/77/41/25/487774125.db2.gz RGEDAYLCYBNRGC-STQMWFEESA-N 0 1 248.370 2.465 20 0 BEADMN CCc1nc([C@H](C)N2CCC[C@@H](C)C2)n[nH]1 ZINC000659828941 487777503 /nfs/dbraw/zinc/77/75/03/487777503.db2.gz KQNUGOMNBJPGRH-ZJUUUORDSA-N 0 1 222.336 2.160 20 0 BEADMN Cc1csc([C@@H](C)NCc2[nH]ncc2C)n1 ZINC000336777281 487778870 /nfs/dbraw/zinc/77/88/70/487778870.db2.gz HYXGCPWNPLUIJD-SECBINFHSA-N 0 1 236.344 2.334 20 0 BEADMN CC(C)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000044428289 487781558 /nfs/dbraw/zinc/78/15/58/487781558.db2.gz BLLKUUBQNREFTN-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000385416302 487785203 /nfs/dbraw/zinc/78/52/03/487785203.db2.gz VKLUSMYWDAMQJG-TZMCWYRMSA-N 0 1 247.338 2.272 20 0 BEADMN CN(CCCF)CC(=O)N(C)C1CCCCC1 ZINC000675884761 487786403 /nfs/dbraw/zinc/78/64/03/487786403.db2.gz SFQFLLCEPZGEBL-UHFFFAOYSA-N 0 1 244.354 2.069 20 0 BEADMN C[C@@H]1CCN(CCOCC2CC2)C[C@@H]1F ZINC000679224151 487786970 /nfs/dbraw/zinc/78/69/70/487786970.db2.gz NOPGVUOTCAOLDZ-PWSUYJOCSA-N 0 1 215.312 2.093 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1CCCOC(C)(C)C ZINC000675897334 487789950 /nfs/dbraw/zinc/78/99/50/487789950.db2.gz RJPDSJSTXRZBAM-NEPJUHHUSA-N 0 1 229.364 2.301 20 0 BEADMN C[C@H]1OCCN(Cc2cccc(N(C)C)c2)[C@H]1C ZINC000675897440 487790193 /nfs/dbraw/zinc/79/01/93/487790193.db2.gz WZQKBTUEMCSXFI-QWHCGFSZSA-N 0 1 248.370 2.362 20 0 BEADMN CC(=O)c1cccc(CN2CCC[C@@H](CO)C2)c1 ZINC000296668007 487791052 /nfs/dbraw/zinc/79/10/52/487791052.db2.gz ZAYLZMYWVPAPMI-CQSZACIVSA-N 0 1 247.338 2.094 20 0 BEADMN CCCN(CC)Cc1cnnn1-c1ccccc1 ZINC000675913869 487791418 /nfs/dbraw/zinc/79/14/18/487791418.db2.gz YWCZSDUZYAHFOZ-UHFFFAOYSA-N 0 1 244.342 2.499 20 0 BEADMN CCCC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000652141729 487794374 /nfs/dbraw/zinc/79/43/74/487794374.db2.gz YHUOUMJHMFIRCO-MRVPVSSYSA-N 0 1 238.335 2.117 20 0 BEADMN CC[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585209 487795079 /nfs/dbraw/zinc/79/50/79/487795079.db2.gz QOCYTPOSRMUJNR-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000414151254 487795626 /nfs/dbraw/zinc/79/56/26/487795626.db2.gz VZGLVCPOIDMNPF-GARJFASQSA-N 0 1 223.320 2.016 20 0 BEADMN Cc1cc(CN2CC[C@@H](c3ccco3)C2)nn1C ZINC000676038737 487802533 /nfs/dbraw/zinc/80/25/33/487802533.db2.gz CRYMRDRHFZGAJH-GFCCVEGCSA-N 0 1 245.326 2.311 20 0 BEADMN C[C@H](N[C@H]1CC[C@H]1C1CC1)c1csnn1 ZINC000414298418 487803030 /nfs/dbraw/zinc/80/30/30/487803030.db2.gz IJXSWUQRQSCXEB-HGNGGELXSA-N 0 1 223.345 2.377 20 0 BEADMN Cc1ccccc1[C@@H](CO)NCc1cncs1 ZINC000676045172 487804238 /nfs/dbraw/zinc/80/42/38/487804238.db2.gz QVDMRHIPFPFQAK-CYBMUJFWSA-N 0 1 248.351 2.275 20 0 BEADMN COC(=O)CN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000592153362 487807534 /nfs/dbraw/zinc/80/75/34/487807534.db2.gz BHLGPOOWCJOVJG-NEPJUHHUSA-N 0 1 239.359 2.308 20 0 BEADMN C[C@H](NCc1nccs1)[C@@H]1CC1(F)F ZINC000666444008 487810803 /nfs/dbraw/zinc/81/08/03/487810803.db2.gz AZEYVNNIXKXGFH-BQBZGAKWSA-N 0 1 218.272 2.276 20 0 BEADMN C[C@H]1CCCN1Cc1cnnn1-c1ccccc1 ZINC000676211746 487821864 /nfs/dbraw/zinc/82/18/64/487821864.db2.gz VUDOHJLTEVRUJN-LBPRGKRZSA-N 0 1 242.326 2.252 20 0 BEADMN c1ccc2c(c1)CC[C@@H]2N1CCOCC1 ZINC000681639830 487828805 /nfs/dbraw/zinc/82/88/05/487828805.db2.gz GFVHCGIXDANSLH-ZDUSSCGKSA-N 0 1 203.285 2.006 20 0 BEADMN C[C@@H]1SCC[C@H]1NCc1cscn1 ZINC000220647654 490073565 /nfs/dbraw/zinc/07/35/65/490073565.db2.gz KEKMSZHFCWYVAL-IONNQARKSA-N 0 1 214.359 2.127 20 0 BEADMN C[C@@]1(CCNC(=O)C(F)(F)F)CC1(F)F ZINC000849461636 588478620 /nfs/dbraw/zinc/47/86/20/588478620.db2.gz VPJIFJWRKRCAAQ-ZCFIWIBFSA-N 0 1 231.164 2.100 20 0 BEADMN CC(C)CCN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000045483373 487841201 /nfs/dbraw/zinc/84/12/01/487841201.db2.gz JIHFGAPILAXXTP-UHFFFAOYSA-N 0 1 235.331 2.405 20 0 BEADMN CCc1nc(CN[C@H](CC)[C@@H](O)CC)cs1 ZINC000313151483 322949305 /nfs/dbraw/zinc/94/93/05/322949305.db2.gz LNLIDCSLEOTJNR-MNOVXSKESA-N 0 1 242.388 2.345 20 0 BEADMN Cc1cc([C@H](C)NCC(C)(C)F)n(C)n1 ZINC000866410272 589490863 /nfs/dbraw/zinc/49/08/63/589490863.db2.gz ZLAKQCWQXWZBJM-VIFPVBQESA-N 0 1 213.300 2.127 20 0 BEADMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])nc1 ZINC000156661781 487844343 /nfs/dbraw/zinc/84/43/43/487844343.db2.gz MEHIACUMRXWZHO-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN O=C(NCc1cnc[nH]1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000668996334 487844868 /nfs/dbraw/zinc/84/48/68/487844868.db2.gz YUVUHDOLKNCKQA-VXGBXAGGSA-N 0 1 247.342 2.242 20 0 BEADMN CC[C@](C)(O)CNCc1nc(Cl)cs1 ZINC000876915608 590256333 /nfs/dbraw/zinc/25/63/33/590256333.db2.gz WFXOQIPIWPMMFF-VIFPVBQESA-N 0 1 234.752 2.047 20 0 BEADMN c1c[nH]c([C@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000676460889 487852265 /nfs/dbraw/zinc/85/22/65/487852265.db2.gz OKUQPBJZJJIPAV-GFCCVEGCSA-N 0 1 216.288 2.075 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc(F)cc1 ZINC000109279551 487856581 /nfs/dbraw/zinc/85/65/81/487856581.db2.gz JRUYXOGWXHFZJD-UHFFFAOYSA-N 0 1 218.231 2.328 20 0 BEADMN O=C([O-])CCCCNc1[nH]c2ccccc2[nH+]1 ZINC000668161649 487856582 /nfs/dbraw/zinc/85/65/82/487856582.db2.gz YRYMCAJXHISFGX-UHFFFAOYSA-N 0 1 233.271 2.230 20 0 BEADMN CC(C)C1CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000677120946 487872277 /nfs/dbraw/zinc/87/22/77/487872277.db2.gz RBFXCNRGADXPIL-UHFFFAOYSA-N 0 1 233.315 2.015 20 0 BEADMN CCCn1nccc1CN1CC[C@H]1C1CC1 ZINC000668209091 487876384 /nfs/dbraw/zinc/87/63/84/487876384.db2.gz SZIXYXXYYXHMRS-ZDUSSCGKSA-N 0 1 219.332 2.277 20 0 BEADMN CCN(Cc1cn(C)nn1)C[C@H](C)C(C)(C)C ZINC000670268855 487880325 /nfs/dbraw/zinc/88/03/25/487880325.db2.gz CPEKFWHDGDJWQM-NSHDSACASA-N 0 1 238.379 2.319 20 0 BEADMN CC1(C)COC[C@@H]1NC/C(Cl)=C/Cl ZINC000306323409 643316327 /nfs/dbraw/zinc/31/63/27/643316327.db2.gz MGZWZGBYLNPQGT-PFPYCLJUSA-N 0 1 224.131 2.320 20 0 BEADMN CCC(CC)CN[C@@H](C)c1nnc(C)o1 ZINC000660272958 487885992 /nfs/dbraw/zinc/88/59/92/487885992.db2.gz SWVDKSFNGYHIFY-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN Cc1cccc(CN2CCCOC[C@H]2C)n1 ZINC000676713887 487892726 /nfs/dbraw/zinc/89/27/26/487892726.db2.gz MPCNPCWODUGBMU-GFCCVEGCSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@@H]1COCCCN1Cc1ccccc1F ZINC000676710950 487898795 /nfs/dbraw/zinc/89/87/95/487898795.db2.gz NJHCPMQEDRRMEF-LLVKDONJSA-N 0 1 223.291 2.437 20 0 BEADMN CCC[C@H](C)N1CCn2cc(C)nc2C1 ZINC000682078108 487902068 /nfs/dbraw/zinc/90/20/68/487902068.db2.gz UVINLOHIKAEADO-NSHDSACASA-N 0 1 207.321 2.196 20 0 BEADMN CC(C)C(C)(C)NC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000652764817 487907441 /nfs/dbraw/zinc/90/74/41/487907441.db2.gz QBFSQMQUHXONEV-SNVBAGLBSA-N 0 1 249.358 2.380 20 0 BEADMN C[C@@H](NCc1ccc(CO)cc1)c1cncs1 ZINC000227462092 487915343 /nfs/dbraw/zinc/91/53/43/487915343.db2.gz LCYMRHAFIMKMOO-SNVBAGLBSA-N 0 1 248.351 2.486 20 0 BEADMN CCOC1CCN(Cc2cc(C)ns2)CC1 ZINC000671126118 487922623 /nfs/dbraw/zinc/92/26/23/487922623.db2.gz GUOIOXTYPAGYRJ-UHFFFAOYSA-N 0 1 240.372 2.452 20 0 BEADMN CC(C)C(C)(C)CNC(=O)[C@H]1CCCCN1C ZINC000682172373 487925591 /nfs/dbraw/zinc/92/55/91/487925591.db2.gz SVPOZSRVZSWWNW-GFCCVEGCSA-N 0 1 240.391 2.269 20 0 BEADMN CCNCc1cn(Cc2cc(C)cc(C)c2)nn1 ZINC000090296034 487927334 /nfs/dbraw/zinc/92/73/34/487927334.db2.gz JNKFEPXGVRSCQX-UHFFFAOYSA-N 0 1 244.342 2.053 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@H](C)C1O ZINC000668555566 487928254 /nfs/dbraw/zinc/92/82/54/487928254.db2.gz ZOEJKLKVLGJFBA-IUCAKERBSA-N 0 1 243.734 2.382 20 0 BEADMN CN(Cc1cn[nH]c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000669931954 487934486 /nfs/dbraw/zinc/93/44/86/487934486.db2.gz JSSXBPOGZVOXCY-ZDUSSCGKSA-N 0 1 249.358 2.333 20 0 BEADMN Cc1ccc(CNCc2ccncc2C)nc1 ZINC000229660514 487935560 /nfs/dbraw/zinc/93/55/60/487935560.db2.gz BXMGLYPUKDKIKF-UHFFFAOYSA-N 0 1 227.311 2.383 20 0 BEADMN O=C([O-])c1ccc(C[N@@H+]2CC=CCC2)c(F)c1 ZINC000652393058 487943048 /nfs/dbraw/zinc/94/30/48/487943048.db2.gz WGEPVEYMEDYWAE-UHFFFAOYSA-N 0 1 235.258 2.286 20 0 BEADMN Cc1cnc(CN[C@@H](C)COCC2CC2)s1 ZINC000651983882 487949564 /nfs/dbraw/zinc/94/95/64/487949564.db2.gz MWTDUVQRIBOFPN-VIFPVBQESA-N 0 1 240.372 2.356 20 0 BEADMN CC(C)n1cc(CN(C)CC2=CCCOC2)cn1 ZINC000668569092 487950041 /nfs/dbraw/zinc/95/00/41/487950041.db2.gz RAZMDFZHZJDCCK-UHFFFAOYSA-N 0 1 249.358 2.243 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C\c1ccccc1)C1CC1 ZINC000210418604 487951411 /nfs/dbraw/zinc/95/14/11/487951411.db2.gz JFMQGKZXKQKCAO-DAXSKMNVSA-N 0 1 231.295 2.249 20 0 BEADMN CC1(C)CN(Cc2cn[nH]c2)CC2(CCCC2)O1 ZINC000682409838 487951884 /nfs/dbraw/zinc/95/18/84/487951884.db2.gz ZSJWRYKVALCORI-UHFFFAOYSA-N 0 1 249.358 2.333 20 0 BEADMN COc1ccc(CN[C@@H](C)c2cncs2)cn1 ZINC000126395076 322965308 /nfs/dbraw/zinc/96/53/08/322965308.db2.gz DSEITJHQVBVTJH-VIFPVBQESA-N 0 1 249.339 2.398 20 0 BEADMN C[C@H](CC1CC1)N[C@H](C)c1csnn1 ZINC000398324668 323000582 /nfs/dbraw/zinc/00/05/82/323000582.db2.gz KMUKBSMHHWJUBP-HTQZYQBOSA-N 0 1 211.334 2.377 20 0 BEADMN COCCCCCN(C)[C@H](C)C(=O)OC(C)C ZINC000129529873 323008774 /nfs/dbraw/zinc/00/87/74/323008774.db2.gz WLNICDDFKYIRRQ-GFCCVEGCSA-N 0 1 245.363 2.075 20 0 BEADMN C[N@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000561947419 323009018 /nfs/dbraw/zinc/00/90/18/323009018.db2.gz VMFBDVWMKNMXIA-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN C[N@@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000561947419 323009019 /nfs/dbraw/zinc/00/90/19/323009019.db2.gz VMFBDVWMKNMXIA-UHFFFAOYSA-N 0 1 206.289 2.162 20 0 BEADMN C[C@H](O)[C@H](C)NCc1ncc(-c2ccccc2)o1 ZINC000566792457 323014522 /nfs/dbraw/zinc/01/45/22/323014522.db2.gz XQOLRMSBTHWZJJ-QWRGUYRKSA-N 0 1 246.310 2.201 20 0 BEADMN CCn1cccc(CN[C@@H](C)c2ccoc2)c1=O ZINC000562425289 323019477 /nfs/dbraw/zinc/01/94/77/323019477.db2.gz FUJCUAZCZMRZDF-NSHDSACASA-N 0 1 246.310 2.312 20 0 BEADMN COc1ccc(SCCc2c[nH]nn2)cc1 ZINC000562475111 323021441 /nfs/dbraw/zinc/02/14/41/323021441.db2.gz DTDVLTULBVXBOI-UHFFFAOYSA-N 0 1 235.312 2.148 20 0 BEADMN CC1(C)CCCC[C@H]1NCC(F)(F)CN ZINC000562745987 323029810 /nfs/dbraw/zinc/02/98/10/323029810.db2.gz NPUBPQRYSPGSAQ-SECBINFHSA-N 0 1 220.307 2.139 20 0 BEADMN C[C@H]1CCC[N@H+](Cc2ncccc2[O-])CC1 ZINC000562900973 323033083 /nfs/dbraw/zinc/03/30/83/323033083.db2.gz AZXUEWCATDXICQ-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN C[C@H]1CCC[N@@H+](Cc2ncccc2[O-])CC1 ZINC000562900973 323033084 /nfs/dbraw/zinc/03/30/84/323033084.db2.gz AZXUEWCATDXICQ-NSHDSACASA-N 0 1 220.316 2.409 20 0 BEADMN CC[C@@]1(C(C)C)C[C@@H]1NC(=O)CCc1cnc[nH]1 ZINC000562962524 323036528 /nfs/dbraw/zinc/03/65/28/323036528.db2.gz UNOCZVPKVGMABD-JSGCOSHPSA-N 0 1 249.358 2.283 20 0 BEADMN CCCN(Cc1nnc2n1CCCC2)C(C)C ZINC000569706547 323037937 /nfs/dbraw/zinc/03/79/37/323037937.db2.gz QCWYLTFBZDQHEL-UHFFFAOYSA-N 0 1 236.363 2.235 20 0 BEADMN C[C@@H]1C[C@@H](CN2Cc3cccnc3C2)CCO1 ZINC000572633825 323045590 /nfs/dbraw/zinc/04/55/90/323045590.db2.gz MATZHHUGJPOYBY-NEPJUHHUSA-N 0 1 232.327 2.212 20 0 BEADMN O=C([O-])C[N@@H+](C1CCC1)[C@H]1C=CCCC1 ZINC000570106817 323050247 /nfs/dbraw/zinc/05/02/47/323050247.db2.gz HOXGREPWNYIYSK-JTQLQIEISA-N 0 1 209.289 2.034 20 0 BEADMN CCO[C@@H]1C[C@H]1NCc1ccc(C)cc1OC ZINC000570157161 323051214 /nfs/dbraw/zinc/05/12/14/323051214.db2.gz VKRRABCIYAIZRJ-TZMCWYRMSA-N 0 1 235.327 2.271 20 0 BEADMN Cc1cnccc1[NH+]=C([O-])N(C)c1ccccc1 ZINC000570469419 323060515 /nfs/dbraw/zinc/06/05/15/323060515.db2.gz DFHQTJCFVMXEGL-UHFFFAOYSA-N 0 1 241.294 2.480 20 0 BEADMN CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC000570814268 323071458 /nfs/dbraw/zinc/07/14/58/323071458.db2.gz OCZIBTHYBBLLDM-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[N@@H+](CC1=CCCCC1)C(C)(C)C(=O)[O-] ZINC000570933661 323074750 /nfs/dbraw/zinc/07/47/50/323074750.db2.gz KXUQWJPZKHBKTQ-UHFFFAOYSA-N 0 1 211.305 2.282 20 0 BEADMN CC(C)(C)OCCNCc1cn2ccccc2n1 ZINC000308749039 323081037 /nfs/dbraw/zinc/08/10/37/323081037.db2.gz SUEWUKSIOIDOJP-UHFFFAOYSA-N 0 1 247.342 2.239 20 0 BEADMN CC[C@@H]1CN(CCc2ccncc2C)C[C@@H](C)O1 ZINC000563045550 323082074 /nfs/dbraw/zinc/08/20/74/323082074.db2.gz XGBQGOVPPFPZTP-UKRRQHHQSA-N 0 1 248.370 2.432 20 0 BEADMN CC(C)N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000531436641 323089550 /nfs/dbraw/zinc/08/95/50/323089550.db2.gz ZCKYILBIRXEUIH-UHFFFAOYSA-N 0 1 233.271 2.150 20 0 BEADMN C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563126011 323094224 /nfs/dbraw/zinc/09/42/24/323094224.db2.gz RQINHHZYSPYPBZ-JSGCOSHPSA-N 0 1 247.338 2.272 20 0 BEADMN Cc1cccc(CCN2CCOC[C@@H]2C2CC2)n1 ZINC000565360712 323095444 /nfs/dbraw/zinc/09/54/44/323095444.db2.gz RXLKLYGQMBZHHV-OAHLLOKOSA-N 0 1 246.354 2.043 20 0 BEADMN Cc1cnc(CNC[C@]2(C)CCCO2)s1 ZINC000394738107 323096779 /nfs/dbraw/zinc/09/67/79/323096779.db2.gz XUHWGYYIFGBLCC-NSHDSACASA-N 0 1 226.345 2.110 20 0 BEADMN Cc1cnc(CN2CC[C@@H](c3ccncc3)C2)o1 ZINC000571025769 323103824 /nfs/dbraw/zinc/10/38/24/323103824.db2.gz SMPUGLXXJAKGRY-CYBMUJFWSA-N 0 1 243.310 2.368 20 0 BEADMN CC[C@H](C(=O)OC)N1CCc2ccccc2CC1 ZINC000571027388 323103981 /nfs/dbraw/zinc/10/39/81/323103981.db2.gz CQMFCYZALWOHPT-CQSZACIVSA-N 0 1 247.338 2.039 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000565434108 323107015 /nfs/dbraw/zinc/10/70/15/323107015.db2.gz SVSZOBQJUSYBQL-WZRBSPASSA-N 0 1 249.358 2.283 20 0 BEADMN C[C@@H]([N@@H+](C)CC1(C(=O)[O-])CC1)C(C)(C)C ZINC000563277620 323107651 /nfs/dbraw/zinc/10/76/51/323107651.db2.gz JFLVLSAQGWKUQJ-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN CS[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])C2CC2)C1 ZINC000563281564 323108027 /nfs/dbraw/zinc/10/80/27/323108027.db2.gz COLMPGMVKWXFJM-GHMZBOCLSA-N 0 1 243.372 2.067 20 0 BEADMN CC1=CC[N@@H+]([C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000563280553 323108095 /nfs/dbraw/zinc/10/80/95/323108095.db2.gz XRRJCKKSQSGRIG-NSHDSACASA-N 0 1 211.305 2.138 20 0 BEADMN C[C@@H]1C[N@@H+](CCC(C)(F)F)C[C@]1(C)C(=O)[O-] ZINC000563281065 323108244 /nfs/dbraw/zinc/10/82/44/323108244.db2.gz WFHYUCKLJNPAQN-SCZZXKLOSA-N 0 1 235.274 2.074 20 0 BEADMN CC[C@H]1CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000563283105 323108327 /nfs/dbraw/zinc/10/83/27/323108327.db2.gz OKSRVWDCSQXCDU-QWRGUYRKSA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@@H]1CC[N@H+]([C@@H](CC(C)C)C(=O)[O-])C1 ZINC000563283104 323108348 /nfs/dbraw/zinc/10/83/48/323108348.db2.gz OKSRVWDCSQXCDU-MNOVXSKESA-N 0 1 213.321 2.218 20 0 BEADMN CC[C@H]1COCCN1Cc1ccc2nc[nH]c2c1 ZINC000534338954 323117988 /nfs/dbraw/zinc/11/79/88/323117988.db2.gz HLZVDLUTIGMNLS-LBPRGKRZSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1ncc(C(=O)N(C2CC2)C2CCCC2)[nH]1 ZINC000534387161 323118237 /nfs/dbraw/zinc/11/82/37/323118237.db2.gz XZIOGMAHUVZKHE-UHFFFAOYSA-N 0 1 233.315 2.265 20 0 BEADMN CC[C@@H](NCc1nc(C)c(C)[nH]1)[C@@H]1CCCO1 ZINC000563441345 323126648 /nfs/dbraw/zinc/12/66/48/323126648.db2.gz WHQIFRPDGJNLHX-NEPJUHHUSA-N 0 1 237.347 2.074 20 0 BEADMN CC(C)CC(C)(C)CNc1ccncc1C(N)=O ZINC000563488661 323127792 /nfs/dbraw/zinc/12/77/92/323127792.db2.gz HBXJDAVUOFLKFF-UHFFFAOYSA-N 0 1 249.358 2.087 20 0 BEADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCF ZINC000310401501 323130949 /nfs/dbraw/zinc/13/09/49/323130949.db2.gz JDOXKEXFHKQKBB-UTUOFQBUSA-N 0 1 243.322 2.454 20 0 BEADMN CC[C@H]1CN(C)CC[N@@H+]1Cc1ccoc1C ZINC000571265183 323139614 /nfs/dbraw/zinc/13/96/14/323139614.db2.gz QAEZJHUZWMXGDV-ZDUSSCGKSA-N 0 1 222.332 2.114 20 0 BEADMN CC(C)CCCC(=O)N1CCN(C)C(C)(C)C1 ZINC000571418318 323144388 /nfs/dbraw/zinc/14/43/88/323144388.db2.gz WYDHLQCIUXYLMU-UHFFFAOYSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cnn(CCn2c(C)nc3c2CCCC3)c1 ZINC000310775227 323157820 /nfs/dbraw/zinc/15/78/20/323157820.db2.gz VMKFDZITAUPRAW-UHFFFAOYSA-N 0 1 244.342 2.275 20 0 BEADMN CC[C@@H](C)[C@H](C)N(Cc1nncn1C)C1CC1 ZINC000111226703 323158163 /nfs/dbraw/zinc/15/81/63/323158163.db2.gz BPUZLBQTJPSGKR-MNOVXSKESA-N 0 1 236.363 2.214 20 0 BEADMN Cc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)n[nH]1 ZINC000049519860 323161761 /nfs/dbraw/zinc/16/17/61/323161761.db2.gz PXBDGSYVJDASGK-JTQLQIEISA-N 0 1 235.331 2.367 20 0 BEADMN CCc1cc(CN[C@H](COC)CC(C)C)on1 ZINC000531976964 323162081 /nfs/dbraw/zinc/16/20/81/323162081.db2.gz ZCGYECRDAMRUOI-LBPRGKRZSA-N 0 1 240.347 2.388 20 0 BEADMN C[C@@H](NCc1ccccc1CO)c1cccnc1 ZINC000305136536 323167490 /nfs/dbraw/zinc/16/74/90/323167490.db2.gz UCMGZRSQSNDZPU-GFCCVEGCSA-N 0 1 242.322 2.425 20 0 BEADMN Cc1nnc(CN[C@H](C)C2CCC2)s1 ZINC000308628230 323176369 /nfs/dbraw/zinc/17/63/69/323176369.db2.gz XSORWWQFYKSCCL-SSDOTTSWSA-N 0 1 211.334 2.125 20 0 BEADMN C[C@H](Cc1ccsc1)[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000308841095 323179993 /nfs/dbraw/zinc/17/99/93/323179993.db2.gz KDLURBOFWRHOEL-BDAKNGLRSA-N 0 1 227.329 2.084 20 0 BEADMN COC[C@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000525874363 323182316 /nfs/dbraw/zinc/18/23/16/323182316.db2.gz AHFZYHKIJKJUHA-UKRRQHHQSA-N 0 1 249.354 2.342 20 0 BEADMN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ncn(C)n2)C1 ZINC000391955922 323183679 /nfs/dbraw/zinc/18/36/79/323183679.db2.gz WJSPQOZISWSFNV-QJPTWQEYSA-N 0 1 236.363 2.435 20 0 BEADMN C[C@@H](CC(C)(C)O)NCc1ncc(Cl)s1 ZINC000395014969 323185110 /nfs/dbraw/zinc/18/51/10/323185110.db2.gz NDLOLJIGAJWWIM-ZETCQYMHSA-N 0 1 248.779 2.436 20 0 BEADMN CN(CCCCO)Cc1cnc(C2CC2)s1 ZINC000527315467 323185731 /nfs/dbraw/zinc/18/57/31/323185731.db2.gz LZIOVHSPNJNGKA-UHFFFAOYSA-N 0 1 240.372 2.225 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1Cc1nncn1C ZINC000535567943 323185835 /nfs/dbraw/zinc/18/58/35/323185835.db2.gz WFKBSXGUWGDXAJ-VXGBXAGGSA-N 0 1 236.363 2.216 20 0 BEADMN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1O ZINC000094122520 323187894 /nfs/dbraw/zinc/18/78/94/323187894.db2.gz FCBHDRVDKNLTEA-LDYMZIIASA-N 0 1 237.274 2.450 20 0 BEADMN CNC(=O)CN(C)[C@H](C)c1c(C)cc(C)cc1C ZINC000535723449 323189229 /nfs/dbraw/zinc/18/92/29/323189229.db2.gz LVXUSYWPSMDCGC-CYBMUJFWSA-N 0 1 248.370 2.351 20 0 BEADMN CC[C@@H](C)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054298204 323204090 /nfs/dbraw/zinc/20/40/90/323204090.db2.gz XFTFVKGJLGAZDB-GHMZBOCLSA-N 0 1 213.321 2.219 20 0 BEADMN Cc1ccc(NC(=O)CN(C)CC2CC2)cc1 ZINC000077194324 323223892 /nfs/dbraw/zinc/22/38/92/323223892.db2.gz RFHFXOQIFBPXAU-UHFFFAOYSA-N 0 1 232.327 2.275 20 0 BEADMN O=C(NC1(C2CC2)CC1)c1n[nH]c2ccccc21 ZINC000532377322 323256906 /nfs/dbraw/zinc/25/69/06/323256906.db2.gz JJLGQPYJTBELDN-UHFFFAOYSA-N 0 1 241.294 2.235 20 0 BEADMN CC[C@@]1(C)CCN([C@H](C)c2nccc(N)n2)C1 ZINC000565156431 323326637 /nfs/dbraw/zinc/32/66/37/323326637.db2.gz IJDZGCZBGMTKKT-MFKMUULPSA-N 0 1 234.347 2.072 20 0 BEADMN Cc1n[nH]c(C(=O)NC(C)(C)C(C)C)c1C ZINC000564003744 323345870 /nfs/dbraw/zinc/34/58/70/323345870.db2.gz JZJMOFYBTWJXTJ-UHFFFAOYSA-N 0 1 223.320 2.191 20 0 BEADMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ncccc1F ZINC000528035069 323742533 /nfs/dbraw/zinc/74/25/33/323742533.db2.gz DPDMMPQCZQLIMC-JBLDHEPKSA-N 0 1 238.306 2.439 20 0 BEADMN Cc1cc(CNC(=O)NCCC2=CCCC2)n[nH]1 ZINC000677052411 487960914 /nfs/dbraw/zinc/96/09/14/487960914.db2.gz FZQFHXRGGDZJBK-UHFFFAOYSA-N 0 1 248.330 2.018 20 0 BEADMN C[C@@]1(NCc2ccncc2Cl)CCOC1 ZINC000229458087 324043690 /nfs/dbraw/zinc/04/36/90/324043690.db2.gz HAAHAVVEULRMQI-LLVKDONJSA-N 0 1 226.707 2.004 20 0 BEADMN C[C@H](NCc1ccn(C)c1)c1ccoc1 ZINC000122463621 324046171 /nfs/dbraw/zinc/04/61/71/324046171.db2.gz DHUWCCSTFCKRTM-JTQLQIEISA-N 0 1 204.273 2.469 20 0 BEADMN COC(C)(C)CN(C)Cc1cnc(C2CC2)nc1 ZINC000572484696 324126244 /nfs/dbraw/zinc/12/62/44/324126244.db2.gz BKEXCVMPMAWLRK-UHFFFAOYSA-N 0 1 249.358 2.211 20 0 BEADMN COc1cccc(CN2CC[C@H]2C2CC2)n1 ZINC000449424526 324140103 /nfs/dbraw/zinc/14/01/03/324140103.db2.gz FDELTXYCTACUDC-LBPRGKRZSA-N 0 1 218.300 2.075 20 0 BEADMN CCOC(=O)[C@@H]1CC[C@H](NCC(F)F)C[C@@H]1C ZINC000459539613 324147864 /nfs/dbraw/zinc/14/78/64/324147864.db2.gz CDTOQWPHPLCVHQ-LPEHRKFASA-N 0 1 249.301 2.209 20 0 BEADMN CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000572522972 324189095 /nfs/dbraw/zinc/18/90/95/324189095.db2.gz QUIYTDBSEYIQNV-JQWIXIFHSA-N 0 1 227.348 2.465 20 0 BEADMN Cc1cocc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000529030934 324235238 /nfs/dbraw/zinc/23/52/38/324235238.db2.gz GGZPCXZUTNJBMQ-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN Cc1cocc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000529030934 324235243 /nfs/dbraw/zinc/23/52/43/324235243.db2.gz GGZPCXZUTNJBMQ-UHFFFAOYSA-N 0 1 246.270 2.226 20 0 BEADMN C[C@H](CC(=O)N(C)Cc1cnc[nH]1)c1ccco1 ZINC000529523041 324323178 /nfs/dbraw/zinc/32/31/78/324323178.db2.gz WLDPQPVLIVVRFL-SNVBAGLBSA-N 0 1 247.298 2.155 20 0 BEADMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc2cc[nH]c2c1 ZINC000529552983 324340258 /nfs/dbraw/zinc/34/02/58/324340258.db2.gz ZBTVWIBLJFUBNL-OLZOCXBDSA-N 0 1 248.301 2.073 20 0 BEADMN OC[C@]1(F)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529559032 324342553 /nfs/dbraw/zinc/34/25/53/324342553.db2.gz WUOHMEFQGJKPPY-AWEZNQCLSA-N 0 1 248.301 2.074 20 0 BEADMN OC[C@@]1(F)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529559033 324342937 /nfs/dbraw/zinc/34/29/37/324342937.db2.gz WUOHMEFQGJKPPY-CQSZACIVSA-N 0 1 248.301 2.074 20 0 BEADMN CCC(C)(C)OC1CN(Cc2[nH]ncc2C)C1 ZINC000529639386 324368702 /nfs/dbraw/zinc/36/87/02/324368702.db2.gz CFHCTNPGPBFEAF-UHFFFAOYSA-N 0 1 237.347 2.108 20 0 BEADMN FC1(CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000529664000 324373446 /nfs/dbraw/zinc/37/34/46/324373446.db2.gz AVSLXTRQPQLHRH-UHFFFAOYSA-N 0 1 247.317 2.214 20 0 BEADMN O=C(NCC1CC=CC1)c1ccc2cncn2c1 ZINC000529710688 324384245 /nfs/dbraw/zinc/38/42/45/324384245.db2.gz ZMHSPXKIPIFSOL-UHFFFAOYSA-N 0 1 241.294 2.030 20 0 BEADMN Cc1ncc([C@@H](C)N2CCCO[C@H](C)C2)c(C)n1 ZINC000682438366 487963672 /nfs/dbraw/zinc/96/36/72/487963672.db2.gz BZXQMIMVRDGBQW-ZYHUDNBSSA-N 0 1 249.358 2.265 20 0 BEADMN COC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127389563 324764484 /nfs/dbraw/zinc/76/44/84/324764484.db2.gz WXMDLMIRAZMNCY-BDAKNGLRSA-N 0 1 240.372 2.317 20 0 BEADMN Cc1cc(CNCc2ccnn2C)c(C)s1 ZINC000070904549 325043713 /nfs/dbraw/zinc/04/37/13/325043713.db2.gz RAMYOFIAWGKZQF-UHFFFAOYSA-N 0 1 235.356 2.388 20 0 BEADMN C[N@@H+](CCCCCC(=O)[O-])C[C@H]1CCCCO1 ZINC000071286374 325066756 /nfs/dbraw/zinc/06/67/56/325066756.db2.gz UZTMIVOWZODLCI-GFCCVEGCSA-N 0 1 243.347 2.132 20 0 BEADMN O[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000543631247 325098778 /nfs/dbraw/zinc/09/87/78/325098778.db2.gz AMRHLGFXHBHRFO-UDSFMNFJSA-N 0 1 239.265 2.045 20 0 BEADMN Cc1cccc([C@H](C)N(C)CC(=O)N(C)C)c1 ZINC000072557524 325154879 /nfs/dbraw/zinc/15/48/79/325154879.db2.gz QCHLXVSVFAELHA-LBPRGKRZSA-N 0 1 234.343 2.076 20 0 BEADMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccccn1 ZINC000545292778 325208194 /nfs/dbraw/zinc/20/81/94/325208194.db2.gz JTFGRZKIEFBHIT-LLVKDONJSA-N 0 1 244.342 2.401 20 0 BEADMN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccccn1 ZINC000545292780 325208267 /nfs/dbraw/zinc/20/82/67/325208267.db2.gz JTFGRZKIEFBHIT-NSHDSACASA-N 0 1 244.342 2.401 20 0 BEADMN CC[C@]1(C)C[C@H]1C(=O)NCCCc1cn[nH]c1C ZINC000132700617 325239220 /nfs/dbraw/zinc/23/92/20/325239220.db2.gz UFWVIVINRJGEQR-GXTWGEPZSA-N 0 1 249.358 2.203 20 0 BEADMN CCCC[C@@H](CCC)Nc1ccncc1C(N)=O ZINC000545871909 325241014 /nfs/dbraw/zinc/24/10/14/325241014.db2.gz UVBFDIGBVDPPOD-LLVKDONJSA-N 0 1 249.358 2.373 20 0 BEADMN Cn1cc(C(C)(C)NCc2cccc(O)c2)cn1 ZINC000545996467 325256006 /nfs/dbraw/zinc/25/60/06/325256006.db2.gz QAPZGTXOWOLSGH-UHFFFAOYSA-N 0 1 245.326 2.151 20 0 BEADMN CC[C@H]1C[N@@H+](CCCCCC(=O)[O-])CCS1 ZINC000133107491 325268669 /nfs/dbraw/zinc/26/86/69/325268669.db2.gz JYAZOLPWHTZENP-NSHDSACASA-N 0 1 245.388 2.459 20 0 BEADMN Cc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)n[nH]1 ZINC000133479754 325296678 /nfs/dbraw/zinc/29/66/78/325296678.db2.gz IZHVAPJLAPLECO-MWLCHTKSSA-N 0 1 235.331 2.369 20 0 BEADMN C[C@]1(CO)CCCN1Cc1ccc(F)c(F)c1 ZINC000546812172 325313283 /nfs/dbraw/zinc/31/32/83/325313283.db2.gz ZCGVVOWHIKWABL-CYBMUJFWSA-N 0 1 241.281 2.312 20 0 BEADMN C[N@@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCCO1 ZINC000546974344 325321413 /nfs/dbraw/zinc/32/14/13/325321413.db2.gz URQNPXQNEAOSKL-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN C[N@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCCO1 ZINC000546974344 325321415 /nfs/dbraw/zinc/32/14/15/325321415.db2.gz URQNPXQNEAOSKL-GFCCVEGCSA-N 0 1 245.326 2.174 20 0 BEADMN Cc1cccc(O)c1NC(=O)c1ncccc1O ZINC000133921487 325330570 /nfs/dbraw/zinc/33/05/70/325330570.db2.gz CNKYGJKHSJXKOG-UHFFFAOYSA-N 0 1 244.250 2.054 20 0 BEADMN CC(C)CCCNC(=O)CN1CCC(C)CC1 ZINC000076452945 325345713 /nfs/dbraw/zinc/34/57/13/325345713.db2.gz RVLKPXPITSWNCR-UHFFFAOYSA-N 0 1 240.391 2.271 20 0 BEADMN CCn1ccnc1CN1CCCC1(C)C ZINC000077383105 325376659 /nfs/dbraw/zinc/37/66/59/325376659.db2.gz HLJVRXLTNZPUGB-UHFFFAOYSA-N 0 1 207.321 2.277 20 0 BEADMN C[C@@]1(CO)CCCN1Cc1c(F)cccc1F ZINC000547745495 325391276 /nfs/dbraw/zinc/39/12/76/325391276.db2.gz QUNVRUNVCDYCQS-ZDUSSCGKSA-N 0 1 241.281 2.312 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@@H]1CCN(c2ccccc2)C1=O ZINC000547768622 325394391 /nfs/dbraw/zinc/39/43/91/325394391.db2.gz GXZWZVUCQCLQNO-MBNYWOFBSA-N 0 1 244.338 2.275 20 0 BEADMN C[C@@H]1C[C@H](C)N1[C@H]1CCN(c2ccccc2)C1=O ZINC000547768623 325394423 /nfs/dbraw/zinc/39/44/23/325394423.db2.gz GXZWZVUCQCLQNO-SCRDCRAPSA-N 0 1 244.338 2.275 20 0 BEADMN CCC(C)(C)NC(=O)[C@H](C)N1[C@H](C)C[C@H]1C ZINC000548096192 325428525 /nfs/dbraw/zinc/42/85/25/325428525.db2.gz DOFMJXQQBZMLJS-MXWKQRLJSA-N 0 1 226.364 2.162 20 0 BEADMN C[C@@H]1C[C@@H](C)N1[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000548096388 325429097 /nfs/dbraw/zinc/42/90/97/325429097.db2.gz OPXIEPLOJYHXLR-YRGRVCCFSA-N 0 1 246.354 2.299 20 0 BEADMN CC(C)C[C@H]1OCCC[C@H]1NCc1ccno1 ZINC000548165245 325438167 /nfs/dbraw/zinc/43/81/67/325438167.db2.gz YEIMBQGBUITUBS-CHWSQXEVSA-N 0 1 238.331 2.358 20 0 BEADMN c1cncc(-c2noc([C@H]3CCCCCN3)n2)c1 ZINC000080988766 325487604 /nfs/dbraw/zinc/48/76/04/325487604.db2.gz AGZISRVCOUBFGO-LLVKDONJSA-N 0 1 244.298 2.336 20 0 BEADMN c1cncc(-c2noc([C@@H]3CCCCCN3)n2)c1 ZINC000081019047 325488332 /nfs/dbraw/zinc/48/83/32/325488332.db2.gz AGZISRVCOUBFGO-NSHDSACASA-N 0 1 244.298 2.336 20 0 BEADMN COC[C@@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000565430586 325910518 /nfs/dbraw/zinc/91/05/18/325910518.db2.gz DKADRTOWESRTLR-GHMZBOCLSA-N 0 1 233.315 2.020 20 0 BEADMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1nccs1 ZINC000566362027 326037583 /nfs/dbraw/zinc/03/75/83/326037583.db2.gz PBZCABCUHJPTJQ-UHFFFAOYSA-N 0 1 242.344 2.076 20 0 BEADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000566444564 326048239 /nfs/dbraw/zinc/04/82/39/326048239.db2.gz HXNRVTNMNSBVHW-IJLUTSLNSA-N 0 1 249.358 2.235 20 0 BEADMN COC1([C@H](C)NCc2ncccn2)CCCCC1 ZINC000566500406 326059493 /nfs/dbraw/zinc/05/94/93/326059493.db2.gz ICSQUBZHSHGHPW-LBPRGKRZSA-N 0 1 249.358 2.304 20 0 BEADMN CC(C)(C)OCCN1CCOC[C@@H]1C1CCC1 ZINC000566618563 326068370 /nfs/dbraw/zinc/06/83/70/326068370.db2.gz RUWWPGCKRXUKKF-CYBMUJFWSA-N 0 1 241.375 2.302 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](CC1CC(F)(F)C1)C1CCC1 ZINC000566630808 326070649 /nfs/dbraw/zinc/07/06/49/326070649.db2.gz FIEOLWNWESCCDQ-MRVPVSSYSA-N 0 1 247.285 2.359 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CCCC[C@H](C)C1 ZINC000566920679 326094658 /nfs/dbraw/zinc/09/46/58/326094658.db2.gz QDGDKNZVBMZZRF-QWRGUYRKSA-N 0 1 213.321 2.362 20 0 BEADMN C[C@H](CC(=O)[O-])[N@@H+](C)CCCCOC(C)(C)C ZINC000566984718 326099971 /nfs/dbraw/zinc/09/99/71/326099971.db2.gz QLTNKLHGFRSRSL-LLVKDONJSA-N 0 1 245.363 2.377 20 0 BEADMN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153983457 326123482 /nfs/dbraw/zinc/12/34/82/326123482.db2.gz GUAAVOGGWLEAID-NOZJJQNGSA-N 0 1 244.298 2.333 20 0 BEADMN COC(=O)c1occc1CN[C@H]1CC[C@H](F)C1 ZINC000567255271 326151081 /nfs/dbraw/zinc/15/10/81/326151081.db2.gz RNCBLKUGPMJOSV-UWVGGRQHSA-N 0 1 241.262 2.046 20 0 BEADMN CCc1nnc([C@H](C)N[C@H]2CCC2(C)C)o1 ZINC000309669772 326163666 /nfs/dbraw/zinc/16/36/66/326163666.db2.gz VOEZSWQOCNQNOO-IUCAKERBSA-N 0 1 223.320 2.471 20 0 BEADMN C[C@@H]1CN(C(=O)C[C@H]2CCC[C@H](C)C2)CCN1 ZINC000155147013 326186751 /nfs/dbraw/zinc/18/67/51/326186751.db2.gz RJEQVFQBZHBRBH-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CC1CCCC1 ZINC000155431982 326193188 /nfs/dbraw/zinc/19/31/88/326193188.db2.gz MCMRWYDCTIQNNO-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CC1CCCC1 ZINC000155431874 326196120 /nfs/dbraw/zinc/19/61/20/326196120.db2.gz MCMRWYDCTIQNNO-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN CCCCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155465012 326197169 /nfs/dbraw/zinc/19/71/69/326197169.db2.gz BPRGZAWRYHQYBL-VXGBXAGGSA-N 0 1 226.364 2.118 20 0 BEADMN CC[C@@H]1CCCCCN1C(=O)c1ccn[nH]1 ZINC000155665939 326205772 /nfs/dbraw/zinc/20/57/72/326205772.db2.gz OBXQJDMOBWIJAQ-SNVBAGLBSA-N 0 1 221.304 2.205 20 0 BEADMN CC[C@H](C)C[N@@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000567628333 326232807 /nfs/dbraw/zinc/23/28/07/326232807.db2.gz PTDAFIJYMXEVIG-VHSXEESVSA-N 0 1 213.321 2.360 20 0 BEADMN CCOC[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156484543 326233993 /nfs/dbraw/zinc/23/39/93/326233993.db2.gz ONHYJDZWHXQJAW-PWSUYJOCSA-N 0 1 241.331 2.290 20 0 BEADMN COC(=O)[C@@H](CC(C)C)N1[C@H](C)C[C@@H]1C ZINC000567930392 326284908 /nfs/dbraw/zinc/28/49/08/326284908.db2.gz FJSXZYGXQCJYTI-OUAUKWLOSA-N 0 1 213.321 2.057 20 0 BEADMN CC(C)CCc1ccc(NC(=O)CN)cc1 ZINC000567890830 326277448 /nfs/dbraw/zinc/27/74/48/326277448.db2.gz YMARUGGSLTUTFC-UHFFFAOYSA-N 0 1 220.316 2.172 20 0 BEADMN CCc1noc([C@@H](C)N(CC)CC2CC2)n1 ZINC000157832192 326297676 /nfs/dbraw/zinc/29/76/76/326297676.db2.gz SXRPCFQMAFKNRH-SECBINFHSA-N 0 1 223.320 2.425 20 0 BEADMN CCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000568060293 326302176 /nfs/dbraw/zinc/30/21/76/326302176.db2.gz ZTQRTZBVUQDYBP-LLVKDONJSA-N 0 1 225.263 2.293 20 0 BEADMN C[N@@H+](CCC1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000568067565 326303600 /nfs/dbraw/zinc/30/36/00/326303600.db2.gz ZJOWIZOZDVHBNF-AWEZNQCLSA-N 0 1 247.338 2.414 20 0 BEADMN CC(C)CCC[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000568074562 326304674 /nfs/dbraw/zinc/30/46/74/326304674.db2.gz MJHZUZCQZYHMPY-YPMHNXCESA-N 0 1 227.348 2.465 20 0 BEADMN CC(C)SCC[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000568074420 326304859 /nfs/dbraw/zinc/30/48/59/326304859.db2.gz HRCOURVDJQDZTG-ZYHUDNBSSA-N 0 1 245.388 2.171 20 0 BEADMN C[C@H]1CN(CCSCC2CC2)C[C@H](C)O1 ZINC000568270496 326338492 /nfs/dbraw/zinc/33/84/92/326338492.db2.gz HXGVWXARABHWNX-QWRGUYRKSA-N 0 1 229.389 2.239 20 0 BEADMN Cc1cccn2c(C[N@H+](C)C(C)C)cnc12 ZINC000158726347 326340801 /nfs/dbraw/zinc/34/08/01/326340801.db2.gz SONXOXZBIYLAHD-UHFFFAOYSA-N 0 1 217.316 2.483 20 0 BEADMN C[N@@H+](CCCc1ccsc1)CCC(=O)[O-] ZINC000568288541 326341738 /nfs/dbraw/zinc/34/17/38/326341738.db2.gz BOTJICNPTNDOBK-UHFFFAOYSA-N 0 1 227.329 2.087 20 0 BEADMN CCCCOCC[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000568290586 326342089 /nfs/dbraw/zinc/34/20/89/326342089.db2.gz MOITZPJEFBVOMF-NSHDSACASA-N 0 1 243.347 2.131 20 0 BEADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CC12CCC(CC1)C2 ZINC000568641090 326370386 /nfs/dbraw/zinc/37/03/86/326370386.db2.gz CNQFTIHBRGMZDS-ATWGWHJKSA-N 0 1 237.343 2.362 20 0 BEADMN Cc1oc(C[N@@H+](C)CCCF)cc1C(=O)[O-] ZINC000568759338 326375567 /nfs/dbraw/zinc/37/55/67/326375567.db2.gz WXXMKEQWZLMRPJ-UHFFFAOYSA-N 0 1 229.251 2.078 20 0 BEADMN CCC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000568991430 326385217 /nfs/dbraw/zinc/38/52/17/326385217.db2.gz UFOQXDSYGZDGBS-OLZOCXBDSA-N 0 1 248.326 2.124 20 0 BEADMN CCc1cc(=O)[n-]c(C[NH2+][C@@H]2CCC2(C)C)n1 ZINC000569117533 326391500 /nfs/dbraw/zinc/39/15/00/326391500.db2.gz PPVQIIZHBJVNRS-SNVBAGLBSA-N 0 1 235.331 2.023 20 0 BEADMN CCOc1ccccc1CN[C@@H]1C[C@@H]1OCC ZINC000569185621 326393972 /nfs/dbraw/zinc/39/39/72/326393972.db2.gz FMNXPMDLFYSCKG-OCCSQVGLSA-N 0 1 235.327 2.352 20 0 BEADMN Cc1nc(CN[C@H]2C[C@H](O)C2(C)C)sc1C ZINC000163427061 326401690 /nfs/dbraw/zinc/40/16/90/326401690.db2.gz LXEKEVYDLMZDMX-UWVGGRQHSA-N 0 1 240.372 2.009 20 0 BEADMN CCC[C@@H](CC)S(=O)(=O)Nc1cnoc1C ZINC000572942000 326419840 /nfs/dbraw/zinc/41/98/40/326419840.db2.gz HIJVHZNXDQZVAH-SECBINFHSA-N 0 1 246.332 2.303 20 0 BEADMN C[C@H](N[C@@H](C)C1CCOCC1)C(F)F ZINC000235538260 487979939 /nfs/dbraw/zinc/97/99/39/487979939.db2.gz JBZGCSTVJJSSJJ-YUMQZZPRSA-N 0 1 207.264 2.045 20 0 BEADMN O=C(CCCF)Nc1ccc2nc[nH]c2c1 ZINC000667370320 487988471 /nfs/dbraw/zinc/98/84/71/487988471.db2.gz UKZNLUUQXGDHCL-UHFFFAOYSA-N 0 1 221.235 2.251 20 0 BEADMN CC(C)C(CN(C)Cc1cn(C)nn1)C(C)C ZINC000668603204 487996348 /nfs/dbraw/zinc/99/63/48/487996348.db2.gz BDJGCNVMKMQIEL-UHFFFAOYSA-N 0 1 238.379 2.175 20 0 BEADMN CCc1noc(CN[C@H](C)C(C)(C)C)n1 ZINC000074317606 487999040 /nfs/dbraw/zinc/99/90/40/487999040.db2.gz KVQFFINYYAAGMH-MRVPVSSYSA-N 0 1 211.309 2.156 20 0 BEADMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000135024134 488010894 /nfs/dbraw/zinc/01/08/94/488010894.db2.gz HRCDLVQBKNNCQL-SNVBAGLBSA-N 0 1 231.311 2.169 20 0 BEADMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCF)C1 ZINC000135024155 488011096 /nfs/dbraw/zinc/01/10/96/488011096.db2.gz HRCDLVQBKNNCQL-JTQLQIEISA-N 0 1 231.311 2.169 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)N(C)C ZINC000682365315 488011531 /nfs/dbraw/zinc/01/15/31/488011531.db2.gz ATDZFSASDFRUQV-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC[C@H](C)CC1)N(C)C ZINC000682365314 488011780 /nfs/dbraw/zinc/01/17/80/488011780.db2.gz ATDZFSASDFRUQV-SRVKXCTJSA-N 0 1 226.364 2.022 20 0 BEADMN O=C(c1ccc(O)c(F)c1)N1CCCCCO1 ZINC000682688130 488017584 /nfs/dbraw/zinc/01/75/84/488017584.db2.gz VWQPBXCWFPWFFU-UHFFFAOYSA-N 0 1 239.246 2.089 20 0 BEADMN CCN(CC)CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000112861585 488018885 /nfs/dbraw/zinc/01/88/85/488018885.db2.gz VKNNREBCCWIKJZ-UHFFFAOYSA-N 0 1 245.326 2.448 20 0 BEADMN CCN(C)Cc1c(C2CCC2)cnn1C ZINC000667495369 488027130 /nfs/dbraw/zinc/02/71/30/488027130.db2.gz GLMAYOWOUZLOOB-UHFFFAOYSA-N 0 1 207.321 2.139 20 0 BEADMN C[C@@H]1CC[C@@H](CN2CCOc3ccccc3C2)O1 ZINC000682754555 488028845 /nfs/dbraw/zinc/02/88/45/488028845.db2.gz CTABRGODGNVQDS-OCCSQVGLSA-N 0 1 247.338 2.449 20 0 BEADMN CC[C@H](NC)c1nc(-c2ccsc2)no1 ZINC000044626068 488029778 /nfs/dbraw/zinc/02/97/78/488029778.db2.gz UDOCIBGUIXYMDI-QMMMGPOBSA-N 0 1 223.301 2.469 20 0 BEADMN CCn1ccc(CN(C)Cc2cccn2C)c1 ZINC000682778586 488038723 /nfs/dbraw/zinc/03/87/23/488038723.db2.gz MALOVGDOZMUXNX-UHFFFAOYSA-N 0 1 231.343 2.479 20 0 BEADMN COCCC1(CNCc2ncc(C)o2)CCC1 ZINC000682781222 488040589 /nfs/dbraw/zinc/04/05/89/488040589.db2.gz YCQGNXRCJLRXQH-UHFFFAOYSA-N 0 1 238.331 2.279 20 0 BEADMN Cc1ccncc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000135553547 488041325 /nfs/dbraw/zinc/04/13/25/488041325.db2.gz NZFMUSNEZCPZMH-ZDUSSCGKSA-N 0 1 248.326 2.219 20 0 BEADMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1nccs1 ZINC000396870219 488046306 /nfs/dbraw/zinc/04/63/06/488046306.db2.gz ILEDGLBUGGAUCV-BDAKNGLRSA-N 0 1 226.345 2.361 20 0 BEADMN CC[C@H]1CN(Cc2cc(C)nc(C)n2)CCCO1 ZINC000660468513 488051470 /nfs/dbraw/zinc/05/14/70/488051470.db2.gz JYQWZSRJPWPITG-AWEZNQCLSA-N 0 1 249.358 2.094 20 0 BEADMN COCc1csc(CN(C)[C@H]2CCOC2)c1 ZINC000667597359 488056222 /nfs/dbraw/zinc/05/62/22/488056222.db2.gz KPMXSPOIWPPOEE-NSHDSACASA-N 0 1 241.356 2.115 20 0 BEADMN C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667619142 488060920 /nfs/dbraw/zinc/06/09/20/488060920.db2.gz UEXPODYLJXMFAO-GFCCVEGCSA-N 0 1 242.326 2.252 20 0 BEADMN CCN(Cc1cn(C2CCC2)nn1)CC1CC1 ZINC000667630409 488063615 /nfs/dbraw/zinc/06/36/15/488063615.db2.gz CPLWVGZYYCVABP-UHFFFAOYSA-N 0 1 234.347 2.235 20 0 BEADMN c1n[nH]cc1CN[C@H](c1cccnc1)C1CC1 ZINC000677521471 488064030 /nfs/dbraw/zinc/06/40/30/488064030.db2.gz STYOXSRYYUELHF-ZDUSSCGKSA-N 0 1 228.299 2.046 20 0 BEADMN c1nc(CN2CCC([C@H]3CCCCO3)CC2)c[nH]1 ZINC000661865841 488066586 /nfs/dbraw/zinc/06/65/86/488066586.db2.gz GHFLAIGONFCVPC-CQSZACIVSA-N 0 1 249.358 2.191 20 0 BEADMN CN(Cc1c(C2CC2)cnn1C)C1CCC1 ZINC000667646826 488070086 /nfs/dbraw/zinc/07/00/86/488070086.db2.gz DMELKWHOZAAUPO-UHFFFAOYSA-N 0 1 219.332 2.282 20 0 BEADMN Cc1ncccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397016409 488072093 /nfs/dbraw/zinc/07/20/93/488072093.db2.gz KOAPWEWMVYXOLI-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CC[C@H]1C[N@@H+](Cc2cnc(C)n2C)CCS1 ZINC000667650121 488072637 /nfs/dbraw/zinc/07/26/37/488072637.db2.gz MOIIWBRZNIXICN-LBPRGKRZSA-N 0 1 239.388 2.056 20 0 BEADMN C[C@H]1CN(Cc2cn(C3CCC3)nn2)C[C@@H]1C ZINC000667650433 488072818 /nfs/dbraw/zinc/07/28/18/488072818.db2.gz XNSUPPGYCBUDFX-QWRGUYRKSA-N 0 1 234.347 2.091 20 0 BEADMN C[C@@H](C(=O)NCc1ccc(C2CC2)cc1)N(C)C ZINC000682962742 488072821 /nfs/dbraw/zinc/07/28/21/488072821.db2.gz ZAMXOORGDYNBJN-NSHDSACASA-N 0 1 246.354 2.130 20 0 BEADMN Cc1ccnc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000257654030 488077309 /nfs/dbraw/zinc/07/73/09/488077309.db2.gz GXBDJSDPJFIZMQ-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN COc1cccc(CN(C)CC(C)(C)O)c1F ZINC000166461868 488085831 /nfs/dbraw/zinc/08/58/31/488085831.db2.gz UXDVFLOSRWDDOX-UHFFFAOYSA-N 0 1 241.306 2.037 20 0 BEADMN Cc1ccnc(CN(C)C[C@H]2CCCO2)c1 ZINC000683005474 488085878 /nfs/dbraw/zinc/08/58/78/488085878.db2.gz UMJMFKGVRCGTRE-CYBMUJFWSA-N 0 1 220.316 2.001 20 0 BEADMN C[C@H]1CC[C@H](C)N1Cc1cn(C2CCC2)nn1 ZINC000667698842 488091756 /nfs/dbraw/zinc/09/17/56/488091756.db2.gz OMRZCVZWYDPVQW-QWRGUYRKSA-N 0 1 234.347 2.376 20 0 BEADMN Cc1cnc(CN2CCC[C@@H]2C2CC2)nc1 ZINC000677682102 488092392 /nfs/dbraw/zinc/09/23/92/488092392.db2.gz QPSRKTLEGVVURZ-GFCCVEGCSA-N 0 1 217.316 2.159 20 0 BEADMN Cc1ncc(CNc2ccnc(C)c2Cl)cn1 ZINC000683070586 488105649 /nfs/dbraw/zinc/10/56/49/488105649.db2.gz JGDFUSCHDKYWPV-UHFFFAOYSA-N 0 1 248.717 2.176 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])o1 ZINC000516777835 488107741 /nfs/dbraw/zinc/10/77/41/488107741.db2.gz SFBYNDDCYLXPHX-DTORHVGOSA-N 0 1 223.272 2.351 20 0 BEADMN COc1ccc(CN2CC[C@@H](C(F)F)C2)cn1 ZINC000677730439 488108758 /nfs/dbraw/zinc/10/87/58/488108758.db2.gz ITSWKKZWSTZCDG-SNVBAGLBSA-N 0 1 242.269 2.177 20 0 BEADMN Cc1csc(CN[C@@H]2CO[C@@H](C3CC3)C2)n1 ZINC000667775117 488117486 /nfs/dbraw/zinc/11/74/86/488117486.db2.gz BMQVWSOGMNFNGW-WDEREUQCSA-N 0 1 238.356 2.109 20 0 BEADMN CCC[N@H+](CC(=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403234743 488119286 /nfs/dbraw/zinc/11/92/86/488119286.db2.gz PLLGKHLNOVARCX-GRYCIOLGSA-N 0 1 225.332 2.219 20 0 BEADMN C[C@H](O)C1(NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000668696011 488125139 /nfs/dbraw/zinc/12/51/39/488125139.db2.gz KTIRADGWCLUXQS-JFGNBEQYSA-N 0 1 235.327 2.406 20 0 BEADMN C[C@@H](O)C1(NCc2cscc2Cl)CC1 ZINC000668698148 488129294 /nfs/dbraw/zinc/12/92/94/488129294.db2.gz VRXULNCYFOUJRD-SSDOTTSWSA-N 0 1 231.748 2.405 20 0 BEADMN CC(C)c1cnc(CNC2([C@@H](C)O)CC2)s1 ZINC000668699083 488129875 /nfs/dbraw/zinc/12/98/75/488129875.db2.gz LRAGJFGBFNWNOF-SECBINFHSA-N 0 1 240.372 2.270 20 0 BEADMN C[C@@H]1C[C@@H](C)N1Cc1cnn(CC(F)(F)F)c1 ZINC000525996552 487537945 /nfs/dbraw/zinc/53/79/45/487537945.db2.gz CTFHSTXCKAZLDT-RKDXNWHRSA-N 0 1 247.264 2.428 20 0 BEADMN CCN(CCc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000674263471 487540597 /nfs/dbraw/zinc/54/05/97/487540597.db2.gz JJFZNSKZFNHAGH-ZDUSSCGKSA-N 0 1 248.370 2.028 20 0 BEADMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cn(C2CCC2)nn1 ZINC000668243330 487541513 /nfs/dbraw/zinc/54/15/13/487541513.db2.gz ZJPKLQYLAFTDRF-GRYCIOLGSA-N 0 1 248.374 2.479 20 0 BEADMN CC(C)CC[C@@H](C)NC(=O)c1ccc(CN)o1 ZINC000094565388 487542210 /nfs/dbraw/zinc/54/22/10/487542210.db2.gz YGGJGSILTTUFOK-SNVBAGLBSA-N 0 1 238.331 2.293 20 0 BEADMN CC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC=CC1 ZINC000655222313 487542627 /nfs/dbraw/zinc/54/26/27/487542627.db2.gz AOMOBEYINOJYCC-SNVBAGLBSA-N 0 1 245.326 2.055 20 0 BEADMN C[C@@H](C(=O)N1C[C@H](C)Cc2ccccc21)N(C)C ZINC000674264488 487543007 /nfs/dbraw/zinc/54/30/07/487543007.db2.gz XBYFYOIYRUZWMM-NEPJUHHUSA-N 0 1 246.354 2.162 20 0 BEADMN CCN(Cc1oc(C)nc1C)C[C@@H]1CCCO1 ZINC000685562350 487543356 /nfs/dbraw/zinc/54/33/56/487543356.db2.gz XYFKOSVJGBCCFF-LBPRGKRZSA-N 0 1 238.331 2.292 20 0 BEADMN CC[C@@H](C)CN(CC)C(=O)c1ccc(CN)o1 ZINC000094573297 487544230 /nfs/dbraw/zinc/54/42/30/487544230.db2.gz VRESJUHRIDVGHY-SNVBAGLBSA-N 0 1 238.331 2.247 20 0 BEADMN CC(C)CN(C(=O)c1ccc(CN)o1)C(C)C ZINC000094568278 487545626 /nfs/dbraw/zinc/54/56/26/487545626.db2.gz YXOAXAVJACYERL-UHFFFAOYSA-N 0 1 238.331 2.245 20 0 BEADMN CCCCN(C(=O)c1ccc(CN)o1)C1CC1 ZINC000094568288 487545791 /nfs/dbraw/zinc/54/57/91/487545791.db2.gz KFTUEGDKBIYIHC-UHFFFAOYSA-N 0 1 236.315 2.143 20 0 BEADMN O=C([O-])c1ccccc1OCC[N@@H+]1CC=CCC1 ZINC000382543777 487545677 /nfs/dbraw/zinc/54/56/77/487545677.db2.gz XKUYDJLPFIQDLR-UHFFFAOYSA-N 0 1 247.294 2.026 20 0 BEADMN Cc1cc(CNC(=O)[C@@H](C)c2ccccc2)n[nH]1 ZINC000680197480 487546286 /nfs/dbraw/zinc/54/62/86/487546286.db2.gz CQLTUDZSSLQZOD-NSHDSACASA-N 0 1 243.310 2.138 20 0 BEADMN CCCC1CCC(NC(=O)[C@H](C)N(C)C)CC1 ZINC000674287144 487547448 /nfs/dbraw/zinc/54/74/48/487547448.db2.gz XUZKDJIDTUGKGM-HIFPTAJRSA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000674287927 487548755 /nfs/dbraw/zinc/54/87/55/487548755.db2.gz SEHFZMALRZTMEI-XQQFMLRXSA-N 0 1 240.391 2.268 20 0 BEADMN CCCC[C@H](CCC)NC(=O)[C@H](C)N(C)C ZINC000674289524 487550768 /nfs/dbraw/zinc/55/07/68/487550768.db2.gz OEHJFIDBKWILHP-RYUDHWBXSA-N 0 1 228.380 2.412 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2CC23CCC3)c1 ZINC000680254243 487553108 /nfs/dbraw/zinc/55/31/08/487553108.db2.gz QJSMWLXKXFADRF-LLVKDONJSA-N 0 1 245.326 2.276 20 0 BEADMN CN(C)c1ccnc(NC(=O)[C@H]2CC2(C)C)c1 ZINC000680258047 487554442 /nfs/dbraw/zinc/55/44/42/487554442.db2.gz JTPKEOCKBOWOEI-SNVBAGLBSA-N 0 1 233.315 2.132 20 0 BEADMN CSc1cccc(NC(=O)[C@H](C)N(C)C)c1 ZINC000674243925 487532439 /nfs/dbraw/zinc/53/24/39/487532439.db2.gz ZPIPKQZGZLNJHQ-VIFPVBQESA-N 0 1 238.356 2.297 20 0 BEADMN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000674244162 487532636 /nfs/dbraw/zinc/53/26/36/487532636.db2.gz GGHJCKORAJQYQZ-OLZOCXBDSA-N 0 1 248.370 2.074 20 0 BEADMN C[C@H](O)[C@H](NCC1(F)CC1)c1ccccc1 ZINC000668787503 487532763 /nfs/dbraw/zinc/53/27/63/487532763.db2.gz AZPZMGZTWZNVAD-JQWIXIFHSA-N 0 1 223.291 2.200 20 0 BEADMN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)C ZINC000674244610 487533170 /nfs/dbraw/zinc/53/31/70/487533170.db2.gz QOQLYOOAFGTFKN-ZETCQYMHSA-N 0 1 244.697 2.368 20 0 BEADMN CCCn1cc(CN[C@@H]2CCC[C@H]2F)cn1 ZINC000339590606 487470865 /nfs/dbraw/zinc/47/08/65/487470865.db2.gz RNVGVJLLFHKGTD-VXGBXAGGSA-N 0 1 225.311 2.273 20 0 BEADMN O=C([O-])C[C@@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000167797720 487471671 /nfs/dbraw/zinc/47/16/71/487471671.db2.gz JYFMQIGASNQXOX-RYUDHWBXSA-N 0 1 223.316 2.424 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])[C@@H]1C=CCCC1 ZINC000167795695 487471764 /nfs/dbraw/zinc/47/17/64/487471764.db2.gz ZTJADQFRASNPGJ-LLVKDONJSA-N 0 1 211.305 2.280 20 0 BEADMN CN(CCOC(C)(C)C)Cc1ccncc1 ZINC000676051625 487472668 /nfs/dbraw/zinc/47/26/68/487472668.db2.gz AAHHTQJMSWEHHA-UHFFFAOYSA-N 0 1 222.332 2.329 20 0 BEADMN C[C@@H]1C[C@H](N[C@H]2CO[C@H](C3CC3)C2)c2nccn21 ZINC000668223788 487479080 /nfs/dbraw/zinc/47/90/80/487479080.db2.gz TVPQAVQAKWGLIV-XEZLXBQYSA-N 0 1 247.342 2.046 20 0 BEADMN C[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000684995441 487485976 /nfs/dbraw/zinc/48/59/76/487485976.db2.gz DCNCLTRCAMLSTK-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN C[C@H]1CCCC[C@@H]1CC(=O)NCc1cnc[nH]1 ZINC000673934853 487486107 /nfs/dbraw/zinc/48/61/07/487486107.db2.gz JGOIPAPTSOEOMH-WDEREUQCSA-N 0 1 235.331 2.242 20 0 BEADMN C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@@H]1C(=O)[O-] ZINC000380866545 487489032 /nfs/dbraw/zinc/48/90/32/487489032.db2.gz WURVNUCXPSRPDZ-UTUOFQBUSA-N 0 1 223.316 2.138 20 0 BEADMN CC[C@@H]1C[C@H](C)C[N@H+]1CC1(CC(=O)[O-])CC1 ZINC000399588802 487490154 /nfs/dbraw/zinc/49/01/54/487490154.db2.gz UPSACJIFXRAXJW-WDEREUQCSA-N 0 1 225.332 2.362 20 0 BEADMN C[N@@H+]([C@H]1C=CCCC1)C1(C(=O)[O-])CCCC1 ZINC000381063586 487495280 /nfs/dbraw/zinc/49/52/80/487495280.db2.gz LYPADLUJWGZMJN-NSHDSACASA-N 0 1 223.316 2.424 20 0 BEADMN C[N@@H+](CCC(C)(C)C)[C@H](C(=O)[O-])C1CC1 ZINC000399689050 487495435 /nfs/dbraw/zinc/49/54/35/487495435.db2.gz FTLFVUYKEMDDMV-JTQLQIEISA-N 0 1 213.321 2.218 20 0 BEADMN CCC1(CC)CN(Cc2cnn3c2CCC3)C1 ZINC000668230973 487496376 /nfs/dbraw/zinc/49/63/76/487496376.db2.gz GZKIJRGNTOQCFE-UHFFFAOYSA-N 0 1 233.359 2.451 20 0 BEADMN C[C@H](C(=O)[O-])[N@@H+](C)CCC(C)(C)C1CC1 ZINC000406049257 487497043 /nfs/dbraw/zinc/49/70/43/487497043.db2.gz FZBDCHSHNGDZCR-SECBINFHSA-N 0 1 213.321 2.218 20 0 BEADMN C[C@H](NCc1cn[nH]c1)c1ccsc1 ZINC000050344151 487497057 /nfs/dbraw/zinc/49/70/57/487497057.db2.gz XRHTWVBQFNJWGV-QMMMGPOBSA-N 0 1 207.302 2.322 20 0 BEADMN OCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674012481 487499357 /nfs/dbraw/zinc/49/93/57/487499357.db2.gz CYGIQPKEPXTABN-CYBMUJFWSA-N 0 1 223.291 2.345 20 0 BEADMN Cc1ncccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000381340235 487504864 /nfs/dbraw/zinc/50/48/64/487504864.db2.gz KJZNPJLYPAXNPT-GXFFZTMASA-N 0 1 248.326 2.075 20 0 BEADMN Cc1ncccc1C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000381340234 487505533 /nfs/dbraw/zinc/50/55/33/487505533.db2.gz KJZNPJLYPAXNPT-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN CC(C)n1ccc(C[C@H](C)NCc2cocn2)n1 ZINC000679992619 487511914 /nfs/dbraw/zinc/51/19/14/487511914.db2.gz KXKHDLNNROMDQW-NSHDSACASA-N 0 1 248.330 2.173 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@H+]1Cc1ncccc1[O-] ZINC000685420568 487519723 /nfs/dbraw/zinc/51/97/23/487519723.db2.gz MEUSOYRLODIJLT-AOOOYVTPSA-N 0 1 206.289 2.160 20 0 BEADMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncccc1[O-] ZINC000685420568 487519724 /nfs/dbraw/zinc/51/97/24/487519724.db2.gz MEUSOYRLODIJLT-AOOOYVTPSA-N 0 1 206.289 2.160 20 0 BEADMN O=C([O-])CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000680019413 487519075 /nfs/dbraw/zinc/51/90/75/487519075.db2.gz YYLGXKBMLOTTJR-GFCCVEGCSA-N 0 1 237.274 2.437 20 0 BEADMN [O-]c1cccnc1C[N@H+]1CCCC2(CC2)C1 ZINC000685427567 487521368 /nfs/dbraw/zinc/52/13/68/487521368.db2.gz KWKANJAJJSKALB-UHFFFAOYSA-N 0 1 218.300 2.163 20 0 BEADMN CO[C@@]1(C)C[C@@H](NCc2coc(C)n2)C1(C)C ZINC000660701633 487522528 /nfs/dbraw/zinc/52/25/28/487522528.db2.gz UBKZBJOKMRHEOP-YPMHNXCESA-N 0 1 238.331 2.276 20 0 BEADMN CCNCc1cn(-c2ccccc2Cl)nn1 ZINC000085273719 488154672 /nfs/dbraw/zinc/15/46/72/488154672.db2.gz UZTBQTYBFUPCRI-UHFFFAOYSA-N 0 1 236.706 2.030 20 0 BEADMN C[C@@H](C(=O)N[C@@H](c1ccccc1)C1CC1)N(C)C ZINC000674244502 487534072 /nfs/dbraw/zinc/53/40/72/487534072.db2.gz HBTWVBJTXHITFX-FZMZJTMJSA-N 0 1 246.354 2.204 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000162044895 487534257 /nfs/dbraw/zinc/53/42/57/487534257.db2.gz HMTUQMPOACJZKJ-WDEREUQCSA-N 0 1 213.321 2.362 20 0 BEADMN NCc1ccc(C(=O)N(C2CC2)C2CCCC2)o1 ZINC000237934102 487535114 /nfs/dbraw/zinc/53/51/14/487535114.db2.gz ATNVJGSFLQVTBQ-UHFFFAOYSA-N 0 1 248.326 2.286 20 0 BEADMN CN(Cc1nc2ccccc2o1)C[C@@H](O)C1CC1 ZINC000674314088 487559591 /nfs/dbraw/zinc/55/95/91/487559591.db2.gz UESGJWYFPGLADN-GFCCVEGCSA-N 0 1 246.310 2.031 20 0 BEADMN c1cc(-c2ccc(CN3CC4(CC4)C3)o2)n[nH]1 ZINC000335383204 487622738 /nfs/dbraw/zinc/62/27/38/487622738.db2.gz QUUSWBXOGOWTFA-UHFFFAOYSA-N 0 1 229.283 2.266 20 0 BEADMN C[C@H](C[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000251064525 487747714 /nfs/dbraw/zinc/74/77/14/487747714.db2.gz CXRGHIMEQFEBSI-MFKMUULPSA-N 0 1 233.311 2.326 20 0 BEADMN c1cc2c(cn1)CCN2c1cc2c(nn1)CCC2 ZINC000674934491 487760890 /nfs/dbraw/zinc/76/08/90/487760890.db2.gz LJHXMCXHNUWEBT-UHFFFAOYSA-N 0 1 238.294 2.055 20 0 BEADMN O=C(Nc1cnoc1)c1c(F)ccc(F)c1F ZINC000681252735 487761255 /nfs/dbraw/zinc/76/12/55/487761255.db2.gz KZXZRANFNSSAID-UHFFFAOYSA-N 0 1 242.156 2.344 20 0 BEADMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@H]1CC12CCC2 ZINC000675941210 487795140 /nfs/dbraw/zinc/79/51/40/487795140.db2.gz LYAVTCZTGPOZHG-MNOVXSKESA-N 0 1 245.326 2.094 20 0 BEADMN CCc1ccccc1C(=O)NCc1cc(C)[nH]n1 ZINC000676335713 487839877 /nfs/dbraw/zinc/83/98/77/487839877.db2.gz KMMRHLFYTWQFEL-UHFFFAOYSA-N 0 1 243.310 2.211 20 0 BEADMN CC(=O)c1cc(CN2CC[C@H](C3CCC3)C2)on1 ZINC000653763352 487865105 /nfs/dbraw/zinc/86/51/05/487865105.db2.gz GJFTYQSHETWDSR-LBPRGKRZSA-N 0 1 248.326 2.499 20 0 BEADMN Cc1ccc(C[N@@H+](C)CCCCC(=O)[O-])o1 ZINC000035700043 487882683 /nfs/dbraw/zinc/88/26/83/487882683.db2.gz QOSSYVAJRVJJKF-UHFFFAOYSA-N 0 1 225.288 2.275 20 0 BEADMN C(=C\c1ccccc1)\CN1CCc2c[nH]nc2C1 ZINC000676795140 487931386 /nfs/dbraw/zinc/93/13/86/487931386.db2.gz YNQSLNMMFVOOAL-DAXSKMNVSA-N 0 1 239.322 2.481 20 0 BEADMN Fc1cccn2cc(CN3CC[C@H]4C[C@H]4C3)nc12 ZINC000668677632 488102130 /nfs/dbraw/zinc/10/21/30/488102130.db2.gz UKPYNQMNARLYDU-QWRGUYRKSA-N 0 1 245.301 2.315 20 0 BEADMN CC[C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CC1 ZINC000669264317 488136635 /nfs/dbraw/zinc/13/66/35/488136635.db2.gz CMNIJBVWXOYEDL-GHMZBOCLSA-N 0 1 226.364 2.022 20 0 BEADMN C[C@@H](O)C1(NCc2cccc(O)c2Cl)CC1 ZINC000668702121 488137728 /nfs/dbraw/zinc/13/77/28/488137728.db2.gz WIZFNNLCPZPPCC-MRVPVSSYSA-N 0 1 241.718 2.049 20 0 BEADMN COc1ccc(CN(C)CC=C(C)C)cn1 ZINC000677898365 488152394 /nfs/dbraw/zinc/15/23/94/488152394.db2.gz CFNNQAAWIOHTOE-UHFFFAOYSA-N 0 1 220.316 2.488 20 0 BEADMN CC(C)C[C@H](N)c1noc(Cc2cccnc2)n1 ZINC000339356219 488154406 /nfs/dbraw/zinc/15/44/06/488154406.db2.gz AXLDJXIZDDLILL-NSHDSACASA-N 0 1 246.314 2.101 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000671783509 488155703 /nfs/dbraw/zinc/15/57/03/488155703.db2.gz GIXIGLXEGSRZSF-CHWSQXEVSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H](C)CCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000671783511 488155717 /nfs/dbraw/zinc/15/57/17/488155717.db2.gz GIXIGLXEGSRZSF-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000390447943 488157406 /nfs/dbraw/zinc/15/74/06/488157406.db2.gz UGOQTFGKHTYYAM-QWRGUYRKSA-N 0 1 227.348 2.465 20 0 BEADMN FC(F)Cn1cc(CN[C@@H]2CCC[C@H]2F)cn1 ZINC000339590337 488160041 /nfs/dbraw/zinc/16/00/41/488160041.db2.gz OXYKPEFERWRDEF-NXEZZACHSA-N 0 1 247.264 2.128 20 0 BEADMN c1cc(CN2CC=CCC2)n(-c2ccncc2)n1 ZINC000667946531 488164797 /nfs/dbraw/zinc/16/47/97/488164797.db2.gz NDXHEEDCCHUHNY-UHFFFAOYSA-N 0 1 240.310 2.029 20 0 BEADMN Oc1ccc2c(c1)CC[C@H](NCc1cocn1)C2 ZINC000683473666 488170877 /nfs/dbraw/zinc/17/08/77/488170877.db2.gz AZXSZZSOBODUAY-LBPRGKRZSA-N 0 1 244.294 2.027 20 0 BEADMN Oc1ccc2c(c1)CC[C@@H](NCc1cocn1)C2 ZINC000683473665 488171066 /nfs/dbraw/zinc/17/10/66/488171066.db2.gz AZXSZZSOBODUAY-GFCCVEGCSA-N 0 1 244.294 2.027 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2CCCC3(CC3)C2)n[nH]1 ZINC000668733112 488174314 /nfs/dbraw/zinc/17/43/14/488174314.db2.gz QHDPPHAETZGBHZ-LLVKDONJSA-N 0 1 247.342 2.305 20 0 BEADMN Cc1cncc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000299932080 488194504 /nfs/dbraw/zinc/19/45/04/488194504.db2.gz RKNWAMRODCRCMV-GWCFXTLKSA-N 0 1 248.326 2.075 20 0 BEADMN Fc1cccc2c1C[N@H+]([C@H]1CCCOC1)CC2 ZINC000678088963 488194871 /nfs/dbraw/zinc/19/48/71/488194871.db2.gz KKIJTYCQHLUQGD-LBPRGKRZSA-N 0 1 235.302 2.363 20 0 BEADMN Fc1cccc2c1CN([C@H]1CCCOC1)CC2 ZINC000678088963 488194873 /nfs/dbraw/zinc/19/48/73/488194873.db2.gz KKIJTYCQHLUQGD-LBPRGKRZSA-N 0 1 235.302 2.363 20 0 BEADMN c1ccc2c(c1)n[nH]c2CN1CCSCC1 ZINC000678133942 488202791 /nfs/dbraw/zinc/20/27/91/488202791.db2.gz MZHOXKFNQCQOHK-UHFFFAOYSA-N 0 1 233.340 2.112 20 0 BEADMN C[C@@H]1C[C@H]1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683637818 488204875 /nfs/dbraw/zinc/20/48/75/488204875.db2.gz HEKPHIYJEFCDIO-MWLCHTKSSA-N 0 1 249.358 2.322 20 0 BEADMN c1n[nH]cc1CN1CCC[C@@H]1c1ccccn1 ZINC000678142655 488206642 /nfs/dbraw/zinc/20/66/42/488206642.db2.gz INOMFLQFCPUGNB-CYBMUJFWSA-N 0 1 228.299 2.142 20 0 BEADMN CCNC(=O)CN(C)CC[C@@H](C)c1ccccc1 ZINC000683696978 488208755 /nfs/dbraw/zinc/20/87/55/488208755.db2.gz UIIPOAMWLKPIMY-CYBMUJFWSA-N 0 1 248.370 2.248 20 0 BEADMN CO[C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000678169643 488211229 /nfs/dbraw/zinc/21/12/29/488211229.db2.gz SYLJUUVLQCWQOZ-NSHDSACASA-N 0 1 245.326 2.174 20 0 BEADMN CC[C@H]1C[C@H](NCc2ncc(C)o2)CCO1 ZINC000231640977 488218067 /nfs/dbraw/zinc/21/80/67/488218067.db2.gz CPZARDGEHAPYAF-MNOVXSKESA-N 0 1 224.304 2.030 20 0 BEADMN COCCCN(C)Cc1nn(C)c2ccccc12 ZINC000678216239 488219422 /nfs/dbraw/zinc/21/94/22/488219422.db2.gz QCDWOKSDWBKWQX-UHFFFAOYSA-N 0 1 247.342 2.042 20 0 BEADMN Cc1cnc(CNCCc2cccs2)o1 ZINC000231652447 488219893 /nfs/dbraw/zinc/21/98/93/488219893.db2.gz JZBOWKPSVSJLJX-UHFFFAOYSA-N 0 1 222.313 2.377 20 0 BEADMN c1n[nH]cc1CN1CCC(OC2CCCC2)CC1 ZINC000678224683 488220665 /nfs/dbraw/zinc/22/06/65/488220665.db2.gz RBDSPQRAOQCTCT-UHFFFAOYSA-N 0 1 249.358 2.333 20 0 BEADMN C[C@H](NCCC1CCC1)c1csnn1 ZINC000398709473 488222858 /nfs/dbraw/zinc/22/28/58/488222858.db2.gz WMUIAKTUPNJVDH-QMMMGPOBSA-N 0 1 211.334 2.379 20 0 BEADMN O=C([O-])C[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398723067 488223589 /nfs/dbraw/zinc/22/35/89/488223589.db2.gz JJCRMLZAGQUTAJ-LBPRGKRZSA-N 0 1 225.332 2.363 20 0 BEADMN C[C@H]1CC[N@@H+](CCC2CCC2)[C@@H](C(=O)[O-])C1 ZINC000398735001 488223772 /nfs/dbraw/zinc/22/37/72/488223772.db2.gz NVRJTVIKRPUKTF-CMPLNLGQSA-N 0 1 225.332 2.362 20 0 BEADMN Cc1nnc(NC(=O)[C@H]2CCCC3(CC3)C2)[nH]1 ZINC000668210526 488225855 /nfs/dbraw/zinc/22/58/55/488225855.db2.gz DMZLAVFZVNAAPN-VIFPVBQESA-N 0 1 234.303 2.022 20 0 BEADMN Cn1ccc(CN2CC[C@H](c3ccco3)C2)n1 ZINC000678262006 488228486 /nfs/dbraw/zinc/22/84/86/488228486.db2.gz AZJQCMLYOCHLHX-NSHDSACASA-N 0 1 231.299 2.003 20 0 BEADMN Cc1cccc([C@@H]2CCCN2Cc2cn[nH]c2)n1 ZINC000678268096 488231508 /nfs/dbraw/zinc/23/15/08/488231508.db2.gz XEBNFTXZIICKJX-AWEZNQCLSA-N 0 1 242.326 2.450 20 0 BEADMN CC(C)n1cc(CN2CCCOC[C@@H]2C)cn1 ZINC000678275136 488234621 /nfs/dbraw/zinc/23/46/21/488234621.db2.gz UPKKWUIIHFPVEJ-LBPRGKRZSA-N 0 1 237.347 2.075 20 0 BEADMN CN(CCc1ccc(F)cc1)Cc1cn(C)cn1 ZINC000683898800 488240831 /nfs/dbraw/zinc/24/08/31/488240831.db2.gz OFIYRSIBTSHPPP-UHFFFAOYSA-N 0 1 247.317 2.234 20 0 BEADMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@H]1C[C@H]1C ZINC000678346510 488244060 /nfs/dbraw/zinc/24/40/60/488244060.db2.gz KRIAWWKRKRHASG-XINAWCOVSA-N 0 1 229.230 2.250 20 0 BEADMN Cc1ccncc1[C@H](C)NCc1cnc(C)nc1 ZINC000678362882 488246910 /nfs/dbraw/zinc/24/69/10/488246910.db2.gz RXHXKDJWKGQEHX-NSHDSACASA-N 0 1 242.326 2.339 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnccc2C)[nH]n1 ZINC000678362449 488247202 /nfs/dbraw/zinc/24/72/02/488247202.db2.gz YMSPCKHUPMDXSQ-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cc(CN[C@@H](C)c2cnccc2C)n[nH]1 ZINC000678362449 488247204 /nfs/dbraw/zinc/24/72/04/488247204.db2.gz YMSPCKHUPMDXSQ-NSHDSACASA-N 0 1 230.315 2.272 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccc(F)cn2)n[nH]1 ZINC000678425711 488254738 /nfs/dbraw/zinc/25/47/38/488254738.db2.gz AHNCJGXOMDPZIB-SECBINFHSA-N 0 1 234.278 2.103 20 0 BEADMN c1c2ccccc2[nH]c1CN1CCCOCC1 ZINC000684021373 488255925 /nfs/dbraw/zinc/25/59/25/488255925.db2.gz UTRGKZVZPPPGRB-UHFFFAOYSA-N 0 1 230.311 2.390 20 0 BEADMN CCN(C[C@H]1CCOC1)[C@H](C)c1ncc(C)o1 ZINC000678460398 488257075 /nfs/dbraw/zinc/25/70/75/488257075.db2.gz IOCYAYSSMULBEA-VXGBXAGGSA-N 0 1 238.331 2.402 20 0 BEADMN CCN1CCN([C@@H](C)c2ncc(C)o2)C[C@@H]1C ZINC000678465315 488257427 /nfs/dbraw/zinc/25/74/27/488257427.db2.gz ZGLWIASBHOUTEE-JQWIXIFHSA-N 0 1 237.347 2.070 20 0 BEADMN c1ccc2c(c1)CN(CCOC1CCC1)CCO2 ZINC000672536352 488258456 /nfs/dbraw/zinc/25/84/56/488258456.db2.gz IJSRKHGOTWGDND-UHFFFAOYSA-N 0 1 247.338 2.450 20 0 BEADMN CCc1noc(CN2[C@@H](C)CC[C@@H]2CC)n1 ZINC000678535023 488264152 /nfs/dbraw/zinc/26/41/52/488264152.db2.gz FSEBACRSTNTKJR-UWVGGRQHSA-N 0 1 223.320 2.395 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1cn2cccc(C)c2n1 ZINC000678591223 488269608 /nfs/dbraw/zinc/26/96/08/488269608.db2.gz JQNIUPUTIGEMQZ-RYUDHWBXSA-N 0 1 247.342 2.156 20 0 BEADMN CCc1cnccc1[C@H](C)NCc1cn[nH]c1 ZINC000678623783 488273157 /nfs/dbraw/zinc/27/31/57/488273157.db2.gz MLEVINWHVXMFQV-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN Cc1nc(CCN2CC=CCC2)cs1 ZINC000679323500 488337191 /nfs/dbraw/zinc/33/71/91/488337191.db2.gz YQNUTBMFTLTODJ-UHFFFAOYSA-N 0 1 208.330 2.256 20 0 BEADMN CC1(F)CN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000684326184 488291274 /nfs/dbraw/zinc/29/12/74/488291274.db2.gz JUUCRFZBZQXYDC-UHFFFAOYSA-N 0 1 243.665 2.230 20 0 BEADMN C[C@@H]1CCN(Cc2ccc(CO)cc2)C[C@H]1F ZINC000679321142 488336029 /nfs/dbraw/zinc/33/60/29/488336029.db2.gz FXKXPJVHLCTRBL-BXUZGUMPSA-N 0 1 237.318 2.359 20 0 BEADMN CN(CC1(F)CC1)[C@H]1CCCc2c1cnn2C ZINC000684363918 488300991 /nfs/dbraw/zinc/30/09/91/488300991.db2.gz YRRMLAIXZIFTMF-NSHDSACASA-N 0 1 237.322 2.231 20 0 BEADMN CN(C)C(=O)c1cccc(CN2CC=CCC2)c1 ZINC000679323153 488336563 /nfs/dbraw/zinc/33/65/63/488336563.db2.gz KMXVMKDNYRTPNI-UHFFFAOYSA-N 0 1 244.338 2.150 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000684433210 488312677 /nfs/dbraw/zinc/31/26/77/488312677.db2.gz TZAWXYKAJISNCL-TZMCWYRMSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@@](C)(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000684433205 488312782 /nfs/dbraw/zinc/31/27/82/488312782.db2.gz TZAWXYKAJISNCL-GXTWGEPZSA-N 0 1 240.391 2.413 20 0 BEADMN C[C@@H](Nc1ccnc(C(C)(C)C)n1)c1nnc[nH]1 ZINC000679190242 488315728 /nfs/dbraw/zinc/31/57/28/488315728.db2.gz UYFGXJVYGZDTRT-MRVPVSSYSA-N 0 1 246.318 2.065 20 0 BEADMN C[C@@H]1CCN(C[C@H]2CCCCO2)C[C@@H]1F ZINC000679224900 488321393 /nfs/dbraw/zinc/32/13/93/488321393.db2.gz VCEFGRJALDOPDU-UTUOFQBUSA-N 0 1 215.312 2.235 20 0 BEADMN c1cc2c(s1)CCCN(Cc1cnc[nH]1)C2 ZINC000684616166 488332240 /nfs/dbraw/zinc/33/22/40/488332240.db2.gz ANZMJVPXXLZLLO-UHFFFAOYSA-N 0 1 233.340 2.420 20 0 BEADMN CN(Cc1c[nH]cn1)[C@H]1C[C@H]1c1ccccc1 ZINC000684619253 488333130 /nfs/dbraw/zinc/33/31/30/488333130.db2.gz LMOJZHWAHMVZPH-KBPBESRZSA-N 0 1 227.311 2.398 20 0 BEADMN CCc1noc(CN(CC)CC2CCC2)n1 ZINC000684624505 488334499 /nfs/dbraw/zinc/33/44/99/488334499.db2.gz SRRYRCBBJPQNRP-UHFFFAOYSA-N 0 1 223.320 2.254 20 0 BEADMN CN(C)C(=O)[C@H](c1ccccc1)N1CC=CCC1 ZINC000679323927 488338075 /nfs/dbraw/zinc/33/80/75/488338075.db2.gz MHIOZCNASUJGOE-AWEZNQCLSA-N 0 1 244.338 2.078 20 0 BEADMN Cc1ccc(F)cc1CN1CCc2cn[nH]c2C1 ZINC000679333021 488340680 /nfs/dbraw/zinc/34/06/80/488340680.db2.gz CFCNPSGIENBOOP-UHFFFAOYSA-N 0 1 245.301 2.416 20 0 BEADMN CCCn1cc(CN2CC=CCC2)cn1 ZINC000679357256 488343886 /nfs/dbraw/zinc/34/38/86/488343886.db2.gz AVCKQTXNXJWAOJ-UHFFFAOYSA-N 0 1 205.305 2.055 20 0 BEADMN COCCOc1ccccc1CN1CC=CCC1 ZINC000679357396 488344748 /nfs/dbraw/zinc/34/47/48/488344748.db2.gz MDBAYJGZOHAGNK-UHFFFAOYSA-N 0 1 247.338 2.474 20 0 BEADMN C[C@@H]1CCN(CC2=CCCOC2)C[C@@H]1F ZINC000679359679 488346009 /nfs/dbraw/zinc/34/60/09/488346009.db2.gz MKEYNUPKMAYKAR-PWSUYJOCSA-N 0 1 213.296 2.013 20 0 BEADMN Cc1nccc(N(C)C[C@H](O)C2CC2)c1Cl ZINC000684889049 488350605 /nfs/dbraw/zinc/35/06/05/488350605.db2.gz FUUZJNZDWHWSMS-NSHDSACASA-N 0 1 240.734 2.251 20 0 BEADMN CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(C)[nH]n1 ZINC000679557541 488358038 /nfs/dbraw/zinc/35/80/38/488358038.db2.gz QSHLTCRWZHIHSQ-PSASIEDQSA-N 0 1 223.320 2.017 20 0 BEADMN c1nn(-c2ccccc2)cc1CNC1CSC1 ZINC000679840694 488368098 /nfs/dbraw/zinc/36/80/98/488368098.db2.gz DGVSGQBEYYFUEF-UHFFFAOYSA-N 0 1 245.351 2.077 20 0 BEADMN C[C@@H](C[N@@H+](CC(=O)[O-])C1CC1)c1ccccc1 ZINC000086751842 490090138 /nfs/dbraw/zinc/09/01/38/490090138.db2.gz QYWLOFSMFIWPHS-NSHDSACASA-N 0 1 233.311 2.339 20 0 BEADMN COc1ccc(CSc2cn[nH]n2)cc1C ZINC000643611287 490110202 /nfs/dbraw/zinc/11/02/02/490110202.db2.gz HORCCUVUQTZOCY-UHFFFAOYSA-N 0 1 235.312 2.414 20 0 BEADMN CCC(C)(C)[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000122175149 490127110 /nfs/dbraw/zinc/12/71/10/490127110.db2.gz NTRYPPZQELTZJU-GFCCVEGCSA-N 0 1 249.358 2.379 20 0 BEADMN O=c1cc(C2CC2)[nH]n1-c1ccc(F)cc1F ZINC000109525039 490162918 /nfs/dbraw/zinc/16/29/18/490162918.db2.gz JWKPDDXZCWZHBC-UHFFFAOYSA-N 0 1 236.221 2.468 20 0 BEADMN CC(C)[C@H](C)NC(=O)CN1CCC12CCCC2 ZINC000649655664 490198834 /nfs/dbraw/zinc/19/88/34/490198834.db2.gz KSGSDARLAPVZRB-LBPRGKRZSA-N 0 1 238.375 2.166 20 0 BEADMN NC(=O)[C@@H](c1ccccc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931341 490203202 /nfs/dbraw/zinc/20/32/02/490203202.db2.gz OURLFQXIIROVPU-MELADBBJSA-N 0 1 244.338 2.087 20 0 BEADMN C[C@@H](C(=O)N(C)CCCc1ccccc1)N(C)C ZINC000078686198 490216887 /nfs/dbraw/zinc/21/68/87/490216887.db2.gz LXZXBNNZAJHQBJ-ZDUSSCGKSA-N 0 1 248.370 2.028 20 0 BEADMN CCC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N(C)C ZINC000078713161 490220833 /nfs/dbraw/zinc/22/08/33/490220833.db2.gz RBJSQTSSCKVHFN-AVGNSLFASA-N 0 1 240.391 2.412 20 0 BEADMN CC(C)[C@H]1CCC[C@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078733080 490222280 /nfs/dbraw/zinc/22/22/80/490222280.db2.gz PFUQDFHVGFBJER-AVGNSLFASA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)[C@H]1CCC[C@@H](NC(=O)[C@H](C)N(C)C)C1 ZINC000078733075 490222892 /nfs/dbraw/zinc/22/28/92/490222892.db2.gz PFUQDFHVGFBJER-RWMBFGLXSA-N 0 1 240.391 2.268 20 0 BEADMN CCC[C@H]1[C@@H](C)CCCN1C(=O)[C@H](C)N(C)C ZINC000078753803 490228783 /nfs/dbraw/zinc/22/87/83/490228783.db2.gz KZNUHCWGKCOOOM-AVGNSLFASA-N 0 1 240.391 2.364 20 0 BEADMN CCn1ccnc1CN[C@H]1CC[C@@H](C)SC1 ZINC000655773165 490229108 /nfs/dbraw/zinc/22/91/08/490229108.db2.gz TWPCUKZCRQYMLR-MNOVXSKESA-N 0 1 239.388 2.277 20 0 BEADMN CCn1ccnc1CN[C@H]1CC[C@H](C)SC1 ZINC000655773166 490229209 /nfs/dbraw/zinc/22/92/09/490229209.db2.gz TWPCUKZCRQYMLR-QWRGUYRKSA-N 0 1 239.388 2.277 20 0 BEADMN C[C@@H](C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)N(C)C ZINC000078762165 490233960 /nfs/dbraw/zinc/23/39/60/490233960.db2.gz WJOOKWDAWJLSFY-SRVKXCTJSA-N 0 1 240.391 2.268 20 0 BEADMN C[C@H](NC(=O)[C@H](C)N(C)C)[C@@H](C)c1ccccc1 ZINC000078759669 490234085 /nfs/dbraw/zinc/23/40/85/490234085.db2.gz WRXMFZQLTGEYRO-AGIUHOORSA-N 0 1 248.370 2.245 20 0 BEADMN CCN(CCCO)Cc1cccc(OC)c1F ZINC000165428775 490256135 /nfs/dbraw/zinc/25/61/35/490256135.db2.gz WZTIGJGOKZYVPB-UHFFFAOYSA-N 0 1 241.306 2.039 20 0 BEADMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)cn1 ZINC000156659252 490269842 /nfs/dbraw/zinc/26/98/42/490269842.db2.gz GTBKSGWLSXKHLF-NSHDSACASA-N 0 1 236.315 2.075 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cn1 ZINC000228886624 490306213 /nfs/dbraw/zinc/30/62/13/490306213.db2.gz SFZHBUDJYXPOSP-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cn1 ZINC000228887033 490306302 /nfs/dbraw/zinc/30/63/02/490306302.db2.gz HRLLDEKEINHTHC-AWEZNQCLSA-N 0 1 248.326 2.077 20 0 BEADMN CCN1CCN(C(=O)CC(C)(C)CC)C[C@H]1C ZINC000677171845 490369453 /nfs/dbraw/zinc/36/94/53/490369453.db2.gz CNQKSQJPLTWEMJ-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CN(C(=O)Cc1ccn[nH]1)C1CCC(C)(C)CC1 ZINC000124890625 490406709 /nfs/dbraw/zinc/40/67/09/490406709.db2.gz GIUVCYXCSOVVKS-UHFFFAOYSA-N 0 1 249.358 2.379 20 0 BEADMN c1cc(CN[C@H]2CCc3ccccc3C2)no1 ZINC000129025546 490596999 /nfs/dbraw/zinc/59/69/99/490596999.db2.gz DMPVLTHRSFZFOD-ZDUSSCGKSA-N 0 1 228.295 2.322 20 0 BEADMN C[C@H]1CN(Cc2ccc(O)cc2)CC(C)(C)O1 ZINC000131431194 490636843 /nfs/dbraw/zinc/63/68/43/490636843.db2.gz XJDCHBSFXXYVDT-NSHDSACASA-N 0 1 235.327 2.392 20 0 BEADMN Cc1nnc(-c2ccc(F)c(CN(C)C)c2)o1 ZINC000665199655 490687835 /nfs/dbraw/zinc/68/78/35/490687835.db2.gz RJTBOVFCTFCLAT-UHFFFAOYSA-N 0 1 235.262 2.246 20 0 BEADMN OC[C@@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659947684 491078358 /nfs/dbraw/zinc/07/83/58/491078358.db2.gz PFISIYNQOZIHGN-SNVBAGLBSA-N 0 1 248.351 2.111 20 0 BEADMN COc1cc(CN2C3CCC2CC3)sn1 ZINC000659836015 491079291 /nfs/dbraw/zinc/07/92/91/491079291.db2.gz SLJRPTADCRNOLL-UHFFFAOYSA-N 0 1 224.329 2.279 20 0 BEADMN CC[C@H](C)CN(C)CC(=O)Nc1cc(C)ccn1 ZINC000088504466 491103259 /nfs/dbraw/zinc/10/32/59/491103259.db2.gz YQWOCGXTJOJFGL-NSHDSACASA-N 0 1 249.358 2.306 20 0 BEADMN C[C@@H](CCNCc1ncnn1C)c1ccccc1 ZINC000088572207 491106015 /nfs/dbraw/zinc/10/60/15/491106015.db2.gz VJYHMGTZUMALGY-LBPRGKRZSA-N 0 1 244.342 2.099 20 0 BEADMN Cc1nnc(CN(C)C[C@H](C)C(C)(C)C)o1 ZINC000668519747 491127037 /nfs/dbraw/zinc/12/70/37/491127037.db2.gz BHZJOFUEOGPXDX-VIFPVBQESA-N 0 1 225.336 2.492 20 0 BEADMN C[C@@H](CNCc1nccs1)c1nccs1 ZINC000230693164 491130562 /nfs/dbraw/zinc/13/05/62/491130562.db2.gz MWJPJFRWUGLEKR-QMMMGPOBSA-N 0 1 239.369 2.493 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000426359346 491131131 /nfs/dbraw/zinc/13/11/31/491131131.db2.gz XSPMJYMBGGEVGD-CYBMUJFWSA-N 0 1 238.375 2.166 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@H]3C[C@H]3C)ccc12 ZINC000091824863 491131658 /nfs/dbraw/zinc/13/16/58/491131658.db2.gz VAUUBTFRLUXVOH-HQJQHLMTSA-N 0 1 229.283 2.466 20 0 BEADMN Cc1[nH]nc2cc(NC(=O)[C@H]3C[C@@H]3C)ccc12 ZINC000091824859 491131665 /nfs/dbraw/zinc/13/16/65/491131665.db2.gz VAUUBTFRLUXVOH-CPCISQLKSA-N 0 1 229.283 2.466 20 0 BEADMN C[C@@H]1CCC[C@@H]1NCc1nn(C)cc1Cl ZINC000335618743 491132593 /nfs/dbraw/zinc/13/25/93/491132593.db2.gz SNRHRBFPJIIQKH-SCZZXKLOSA-N 0 1 227.739 2.352 20 0 BEADMN C[C@H]1CCC[C@H]1NCc1nn(C)cc1Cl ZINC000335618744 491132618 /nfs/dbraw/zinc/13/26/18/491132618.db2.gz SNRHRBFPJIIQKH-WCBMZHEXSA-N 0 1 227.739 2.352 20 0 BEADMN CC(C)(N[C@H]1CCCOCC1)C(F)F ZINC000307516380 491133664 /nfs/dbraw/zinc/13/36/64/491133664.db2.gz GPHILYDGWQYODS-QMMMGPOBSA-N 0 1 207.264 2.189 20 0 BEADMN c1cc(NCc2[nH]nc3ccccc32)no1 ZINC000309367203 491147528 /nfs/dbraw/zinc/14/75/28/491147528.db2.gz PSEQLGNEAKLMSQ-UHFFFAOYSA-N 0 1 214.228 2.163 20 0 BEADMN CC[C@]1(NCc2ccncc2Cl)CCOC1 ZINC000309465858 491149149 /nfs/dbraw/zinc/14/91/49/491149149.db2.gz PJCGSZVLEATLLP-LBPRGKRZSA-N 0 1 240.734 2.394 20 0 BEADMN Cc1nnc([C@@H](C)NCC2CC(C)(C)C2)o1 ZINC000309504460 491150475 /nfs/dbraw/zinc/15/04/75/491150475.db2.gz BPQCIMGBCQQEQB-MRVPVSSYSA-N 0 1 223.320 2.465 20 0 BEADMN Cn1cnc(CN[C@@H]2CCc3ccccc32)c1 ZINC000310387411 491161229 /nfs/dbraw/zinc/16/12/29/491161229.db2.gz ICGXKHJPPZQNGE-CQSZACIVSA-N 0 1 227.311 2.197 20 0 BEADMN C[C@H](NCC[C@H]1CCOC1)C(C)(F)F ZINC000400681863 533867477 /nfs/dbraw/zinc/86/74/77/533867477.db2.gz JURKJRVUVOALPP-IUCAKERBSA-N 0 1 207.264 2.046 20 0 BEADMN CCOC(=O)[C@H](CC(C)C)N(CC)CC ZINC000182038371 535637175 /nfs/dbraw/zinc/63/71/75/535637175.db2.gz MWMFNGPYMHPWOL-NSHDSACASA-N 0 1 215.337 2.306 20 0 BEADMN COCCN(C)Cc1ccc(CC(C)C)nc1 ZINC000891574972 582698547 /nfs/dbraw/zinc/69/85/47/582698547.db2.gz VZBKPTJRNGIXJH-UHFFFAOYSA-N 0 1 236.359 2.358 20 0 BEADMN CCN(Cc1ccc(OC)o1)C[C@H]1CCCO1 ZINC000891784539 582721477 /nfs/dbraw/zinc/72/14/77/582721477.db2.gz YUSNPMUUBABYHO-LLVKDONJSA-N 0 1 239.315 2.289 20 0 BEADMN CC[C@]1(C)COCCN1Cc1cccn1C ZINC000335735183 535923785 /nfs/dbraw/zinc/92/37/85/535923785.db2.gz VKYAKKAODQJCDL-CYBMUJFWSA-N 0 1 222.332 2.026 20 0 BEADMN Cc1cc(F)ncc1CN1CCCO[C@@H](C)C1 ZINC000891917352 582737697 /nfs/dbraw/zinc/73/76/97/582737697.db2.gz QQWFHJLSZCZZAT-NSHDSACASA-N 0 1 238.306 2.140 20 0 BEADMN CC[C@@]1(C)CCN(Cc2ncc(C)n2C)C1 ZINC000342799494 536049682 /nfs/dbraw/zinc/04/96/82/536049682.db2.gz OMKMBILKCHHJFY-ZDUSSCGKSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@H](C(=O)[O-])[N@H+]1CCC(CC)(CC)C1 ZINC000087256696 536098963 /nfs/dbraw/zinc/09/89/63/536098963.db2.gz GNFMNQOAOOIWHE-SNVBAGLBSA-N 0 1 213.321 2.362 20 0 BEADMN CCc1ccc(CN2CCOCC3(CC3)C2)nc1 ZINC000334290576 536177497 /nfs/dbraw/zinc/17/74/97/536177497.db2.gz LFPACSFNSPYBBO-UHFFFAOYSA-N 0 1 246.354 2.256 20 0 BEADMN Cc1nc(CSc2nc3ccccc3[nH]2)n[nH]1 ZINC000488232685 534404687 /nfs/dbraw/zinc/40/46/87/534404687.db2.gz NUNBXLHORCEYJL-UHFFFAOYSA-N 0 1 245.311 2.282 20 0 BEADMN CN(CCCCCO)Cc1nc2ccccc2[nH]1 ZINC000227116856 536333230 /nfs/dbraw/zinc/33/32/30/536333230.db2.gz SHZIDKGMULGVOG-UHFFFAOYSA-N 0 1 247.342 2.157 20 0 BEADMN O=C(NC[C@@H]1CC=CCC1)[C@H]1CCCN1C1CC1 ZINC000495019329 534551483 /nfs/dbraw/zinc/55/14/83/534551483.db2.gz QDHZILYWTDNQTA-TZMCWYRMSA-N 0 1 248.370 2.086 20 0 BEADMN CC(C)c1nccc(N2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000356793034 534909926 /nfs/dbraw/zinc/90/99/26/534909926.db2.gz LYLLKZLJQQDXPH-VXGBXAGGSA-N 0 1 248.374 2.129 20 0 BEADMN CCCN1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000348537523 534916697 /nfs/dbraw/zinc/91/66/97/534916697.db2.gz WIGACNOYQMRWJJ-UHFFFAOYSA-N 0 1 240.391 2.367 20 0 BEADMN COC(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000070587759 536470618 /nfs/dbraw/zinc/47/06/18/536470618.db2.gz ORDCGPOFIXYQLN-LLVKDONJSA-N 0 1 227.348 2.308 20 0 BEADMN CC=C(C=CC(=O)N[C@H](C)c1n[nH]c(C)n1)CC ZINC000493842272 527555390 /nfs/dbraw/zinc/55/53/90/527555390.db2.gz HAGFJWWQVMWTLX-WLJYDITBSA-N 0 1 248.330 2.203 20 0 BEADMN CC=C(C=CC(=O)NCc1cn[nH]c1C)CC ZINC000492663318 527561611 /nfs/dbraw/zinc/56/16/11/527561611.db2.gz OLQQTKPTHITQFN-BJNIYONUSA-N 0 1 233.315 2.247 20 0 BEADMN C/C=C/C=C\C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000493001251 527599162 /nfs/dbraw/zinc/59/91/62/527599162.db2.gz BCWKBWGCQGYPEI-SGWUOOSKSA-N 0 1 236.359 2.060 20 0 BEADMN CCOC(=O)[C@@H]1CCCCN1C[C@@H]1C[C@H]1C ZINC000488328910 527821638 /nfs/dbraw/zinc/82/16/38/527821638.db2.gz IHGKOUOWBSDGRL-WOPDTQHZSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000496564339 527835886 /nfs/dbraw/zinc/83/58/86/527835886.db2.gz LJFXBKVUHZPAGJ-LLVKDONJSA-N 0 1 242.363 2.194 20 0 BEADMN CCN(CC(=O)N[C@H]1CC[C@H](C)CC1)C1CC1 ZINC000488105714 527918105 /nfs/dbraw/zinc/91/81/05/527918105.db2.gz RUBXGQGQLVDBQO-HAQNSBGRSA-N 0 1 238.375 2.166 20 0 BEADMN CCN1C[C@H](C)N(C(=O)OC2CCC2)C[C@@H]1C ZINC000496345703 527968954 /nfs/dbraw/zinc/96/89/54/527968954.db2.gz NCARIWHSSHAAJU-QWRGUYRKSA-N 0 1 240.347 2.090 20 0 BEADMN CC(C)c1cc(N[C@@H](C)C2CC2)nc(N(C)C)n1 ZINC000486147223 528010531 /nfs/dbraw/zinc/01/05/31/528010531.db2.gz BPIHVHNZWLJUBT-JTQLQIEISA-N 0 1 248.374 2.298 20 0 BEADMN CC(C)c1cc(N[C@H](C)C2CC2)nc(N(C)C)n1 ZINC000486147224 528011911 /nfs/dbraw/zinc/01/19/11/528011911.db2.gz BPIHVHNZWLJUBT-SNVBAGLBSA-N 0 1 248.374 2.298 20 0 BEADMN CCCN(CCC)CN1CC(C)(C)OC1=O ZINC000494108368 528059922 /nfs/dbraw/zinc/05/99/22/528059922.db2.gz UYDROWSFMFSXJD-UHFFFAOYSA-N 0 1 228.336 2.297 20 0 BEADMN CC(C)C[C@@H](C)OC(=O)N1CCCN(C)CC1 ZINC000496904334 528269588 /nfs/dbraw/zinc/26/95/88/528269588.db2.gz UWMRMZZDNZSWDI-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN CCC(C)(C)OCCN[C@H]1CCn2ccnc21 ZINC000308762873 528592833 /nfs/dbraw/zinc/59/28/33/528592833.db2.gz YVIUZCYSGQSINK-NSHDSACASA-N 0 1 237.347 2.123 20 0 BEADMN CCC1(CC)CN(CN2CC[C@H](C)C2)C(=O)O1 ZINC000494554279 529081318 /nfs/dbraw/zinc/08/13/18/529081318.db2.gz JVADAWOSIYEKDT-NSHDSACASA-N 0 1 240.347 2.297 20 0 BEADMN CCN1CCN(CCC(C)(C)CC)[C@H](C)C1=O ZINC000495196844 529142310 /nfs/dbraw/zinc/14/23/10/529142310.db2.gz VSYNEZXHSZFWTJ-GFCCVEGCSA-N 0 1 240.391 2.365 20 0 BEADMN CC[C@H]1CN(C)CCN1C(=O)/C=C\C(C)(C)C ZINC000493419157 529286138 /nfs/dbraw/zinc/28/61/38/529286138.db2.gz LVGKZILUUUVHCG-KRZKBDHCSA-N 0 1 238.375 2.141 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CCN(C(C)C)CC1 ZINC000505581709 529309082 /nfs/dbraw/zinc/30/90/82/529309082.db2.gz KXIPNWCRSWGVSF-CYBMUJFWSA-N 0 1 240.391 2.365 20 0 BEADMN CC(C)[C@H](C)CC(=O)NCCN1CC=CCC1 ZINC000350075396 534933108 /nfs/dbraw/zinc/93/31/08/534933108.db2.gz JONWBHZOXKILQX-CYBMUJFWSA-N 0 1 238.375 2.047 20 0 BEADMN CCCC[C@@H](Nc1[nH+]cnc2[nH]ccc21)C(=O)[O-] ZINC000263566867 534939122 /nfs/dbraw/zinc/93/91/22/534939122.db2.gz WYWPIAVOYXTLFX-SECBINFHSA-N 0 1 248.286 2.013 20 0 BEADMN CC1(C)[C@@H](O)CCN1Cc1ccc(Cl)o1 ZINC000336032054 535028688 /nfs/dbraw/zinc/02/86/88/535028688.db2.gz SMWYJVCAJVFFJJ-VIFPVBQESA-N 0 1 229.707 2.278 20 0 BEADMN CC(C)[N@@H+](CCC1CCCC1)CC(=O)[O-] ZINC000261534757 535052417 /nfs/dbraw/zinc/05/24/17/535052417.db2.gz MYXGNTCBVGPDTC-UHFFFAOYSA-N 0 1 213.321 2.362 20 0 BEADMN CC(F)(F)Cc1nc(C2(N)CCCCC2)no1 ZINC000262162264 535208433 /nfs/dbraw/zinc/20/84/33/535208433.db2.gz HBKUBAUXIKOPHX-UHFFFAOYSA-N 0 1 245.273 2.385 20 0 BEADMN CC(C)c1cc(C(=O)N2C[C@H](C)C[C@H]2C)n[nH]1 ZINC000336013682 535358504 /nfs/dbraw/zinc/35/85/04/535358504.db2.gz XPWFVXBWGQIIHK-NXEZZACHSA-N 0 1 235.331 2.404 20 0 BEADMN CCN(Cc1ncccn1)[C@H]1CCOC(C)(C)C1 ZINC000351936582 535392306 /nfs/dbraw/zinc/39/23/06/535392306.db2.gz LXCOEZKQVWZEFC-LBPRGKRZSA-N 0 1 249.358 2.256 20 0 BEADMN CCC[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000183034418 535408765 /nfs/dbraw/zinc/40/87/65/535408765.db2.gz SWOHCCDIGKYRRJ-SNVBAGLBSA-N 0 1 221.304 2.205 20 0 BEADMN CCOC(=O)[C@H](CC)N1CCC(CC)CC1 ZINC000077901473 535645775 /nfs/dbraw/zinc/64/57/75/535645775.db2.gz UXCLOOGEGVAMTO-LBPRGKRZSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@H]1CN(CCCCF)CCO1 ZINC000351761007 535738873 /nfs/dbraw/zinc/73/88/73/535738873.db2.gz VXAXZQQJWZDMPL-NSHDSACASA-N 0 1 203.301 2.237 20 0 BEADMN CCc1nnc(CN2CC[C@@H](C)[C@H]2CC)o1 ZINC000249395472 535846616 /nfs/dbraw/zinc/84/66/16/535846616.db2.gz AXIOURAQQMIXHD-NXEZZACHSA-N 0 1 223.320 2.252 20 0 BEADMN CC[C@@]1(C)C[C@H]1c1nc(C2(N)CCC2)no1 ZINC000261667055 536069672 /nfs/dbraw/zinc/06/96/72/536069672.db2.gz FZKGTEQRIGPJAH-KWQFWETISA-N 0 1 221.304 2.311 20 0 BEADMN CC[C@H]1CC[C@@H](C)N1Cc1nnc2n1CCCC2 ZINC000335904062 536092790 /nfs/dbraw/zinc/09/27/90/536092790.db2.gz SNBJHLXIQFRZEK-NEPJUHHUSA-N 0 1 248.374 2.377 20 0 BEADMN CCc1cc(C(=O)N2CC[C@@H](C(C)C)C2)n[nH]1 ZINC000335684787 536111688 /nfs/dbraw/zinc/11/16/88/536111688.db2.gz UVKJDXSXUYWSAR-SNVBAGLBSA-N 0 1 235.331 2.090 20 0 BEADMN CCc1nnc(NC(=O)CC2(C)CCCC2)[nH]1 ZINC000349093747 536146326 /nfs/dbraw/zinc/14/63/26/536146326.db2.gz KDDVFQHTPDBBRD-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1n[nH]c(NC(=O)CC2(C)CCCC2)n1 ZINC000349093747 536146329 /nfs/dbraw/zinc/14/63/29/536146329.db2.gz KDDVFQHTPDBBRD-UHFFFAOYSA-N 0 1 236.319 2.276 20 0 BEADMN CCc1ccc(CN2CCN(CC)C[C@@H]2C)o1 ZINC000348546678 536175182 /nfs/dbraw/zinc/17/51/82/536175182.db2.gz NDXGIGUSAJFKLM-LBPRGKRZSA-N 0 1 236.359 2.368 20 0 BEADMN CCc1ccc(CN2C[C@H](C)[C@@H]2C)nc1 ZINC000335930651 536180002 /nfs/dbraw/zinc/18/00/02/536180002.db2.gz JXICMHDRGPISHI-QWRGUYRKSA-N 0 1 204.317 2.484 20 0 BEADMN COc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000261675326 536510774 /nfs/dbraw/zinc/51/07/74/536510774.db2.gz GNNCJVRQMQFUGT-UHFFFAOYSA-N 0 1 245.282 2.083 20 0 BEADMN COC1(C)CN(Cc2cccc3cc[nH]c32)C1 ZINC000336085499 536589264 /nfs/dbraw/zinc/58/92/64/536589264.db2.gz HJCLZOSLJJIGGK-UHFFFAOYSA-N 0 1 230.311 2.389 20 0 BEADMN COC[C@@H]1CCCCN(Cc2nccs2)C1 ZINC000342701343 536741352 /nfs/dbraw/zinc/74/13/52/536741352.db2.gz MXZRXKWVNLGXRR-LLVKDONJSA-N 0 1 240.372 2.392 20 0 BEADMN CO[C@@H]1[C@H](C)[C@H](NCc2cc(C)on2)C1(C)C ZINC000344070457 536814033 /nfs/dbraw/zinc/81/40/33/536814033.db2.gz SMAHGVFTQVOKQC-ADEWGFFLSA-N 0 1 238.331 2.132 20 0 BEADMN COCCN1CCc2cc(F)cc(C)c2C1 ZINC000334273010 536878772 /nfs/dbraw/zinc/87/87/72/536878772.db2.gz YJAHZRBENUVDTH-UHFFFAOYSA-N 0 1 223.291 2.139 20 0 BEADMN COc1ccc(CNCc2cnccc2C)cn1 ZINC000135435669 536894824 /nfs/dbraw/zinc/89/48/24/536894824.db2.gz OBDNNKWNHJOZPY-UHFFFAOYSA-N 0 1 243.310 2.083 20 0 BEADMN CC(C)[C@@H](NCc1csnn1)C1CC1 ZINC000323975256 537907519 /nfs/dbraw/zinc/90/75/19/537907519.db2.gz JCMMJPLSLLPGMD-SNVBAGLBSA-N 0 1 211.334 2.062 20 0 BEADMN CC(C)C(N)=NOCCOCc1ccccc1 ZINC000853684396 583061386 /nfs/dbraw/zinc/06/13/86/583061386.db2.gz AGPDUJKMKPAOMU-UHFFFAOYSA-N 0 1 236.315 2.358 20 0 BEADMN CCOC1CCN(Cc2[nH]nc(C)c2C)CC1 ZINC000893954676 583261801 /nfs/dbraw/zinc/26/18/01/583261801.db2.gz OICZSBYZLPVVRU-UHFFFAOYSA-N 0 1 237.347 2.027 20 0 BEADMN CC[C@@H]1CN(Cc2n[nH]c(C)c2C)C[C@H](C)O1 ZINC000893976052 583265434 /nfs/dbraw/zinc/26/54/34/583265434.db2.gz LYJGHEBDMDGVSL-JOYOIKCWSA-N 0 1 237.347 2.026 20 0 BEADMN Cc1nc2c(n1CCOC(F)F)CCCC2 ZINC000853021044 588716247 /nfs/dbraw/zinc/71/62/47/588716247.db2.gz MCFWMMUTFTWBHH-UHFFFAOYSA-N 0 1 230.258 2.310 20 0 BEADMN CCC1(CC)CN(C[C@H](O)c2ccccn2)C1 ZINC000853064820 588718730 /nfs/dbraw/zinc/71/87/30/588718730.db2.gz XBJCZBBUZNGJJC-ZDUSSCGKSA-N 0 1 234.343 2.237 20 0 BEADMN Cc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)c(C)c1 ZINC000853212169 588725371 /nfs/dbraw/zinc/72/53/71/588725371.db2.gz AMMVXKUYSATCBY-JTQLQIEISA-N 0 1 245.282 2.340 20 0 BEADMN CCC[C@@H](C)CC(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853217592 588725951 /nfs/dbraw/zinc/72/59/51/588725951.db2.gz BSTVMUGAIKOCJZ-BDAKNGLRSA-N 0 1 225.292 2.235 20 0 BEADMN Cc1cccc(C(=O)O[C@H](C)c2nnc[nH]2)c1F ZINC000853219794 588726064 /nfs/dbraw/zinc/72/60/64/588726064.db2.gz HDUDHPMDTTVCOH-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN Cc1cc(C(=O)O[C@H](C)c2nnc[nH]2)ccc1F ZINC000853221668 588726150 /nfs/dbraw/zinc/72/61/50/588726150.db2.gz ZCMIPTVOVILUMN-MRVPVSSYSA-N 0 1 249.245 2.170 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853222143 588726609 /nfs/dbraw/zinc/72/66/09/588726609.db2.gz GCSQVUKMTXGJHE-BDAKNGLRSA-N 0 1 239.319 2.481 20 0 BEADMN CCCC[C@@H](C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224768 588726981 /nfs/dbraw/zinc/72/69/81/588726981.db2.gz YSCKZRNTVIFDTL-BDAKNGLRSA-N 0 1 225.292 2.235 20 0 BEADMN CCCc1[nH]ccc1C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853224726 588727068 /nfs/dbraw/zinc/72/70/68/588727068.db2.gz HRQWNKRBRNYJDR-QMMMGPOBSA-N 0 1 248.286 2.003 20 0 BEADMN C[C@@H](OC(=O)C1(F)CCCCC1)c1nnc[nH]1 ZINC000853224886 588727273 /nfs/dbraw/zinc/72/72/73/588727273.db2.gz ZSASDXWXVVVNNJ-MRVPVSSYSA-N 0 1 241.266 2.081 20 0 BEADMN C[C@@H](OC(=O)C1=CC[C@H](C)CC1)c1nnc[nH]1 ZINC000853225234 588727346 /nfs/dbraw/zinc/72/73/46/588727346.db2.gz MXSMGVQCSGZCMF-DTWKUNHWSA-N 0 1 235.287 2.155 20 0 BEADMN CC[C@@H](CC(F)F)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853225009 588727369 /nfs/dbraw/zinc/72/73/69/588727369.db2.gz JUARYGHOZBAYGJ-RQJHMYQMSA-N 0 1 247.245 2.090 20 0 BEADMN CC[C@@H](CC(C)C)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853225222 588727477 /nfs/dbraw/zinc/72/74/77/588727477.db2.gz MTALGJJEVVRNLN-UWVGGRQHSA-N 0 1 239.319 2.481 20 0 BEADMN CCCN(CC)CN1CC[C@@H](C(C)C)C1=O ZINC000853493113 588745799 /nfs/dbraw/zinc/74/57/99/588745799.db2.gz JRKSSYUMWZKRLS-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN CCCCN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853490218 588745843 /nfs/dbraw/zinc/74/58/43/588745843.db2.gz QGUIPQIEZKICDR-LBPRGKRZSA-N 0 1 226.364 2.180 20 0 BEADMN CCCN(CN1CC[C@@H](C(C)C)C1=O)C1CC1 ZINC000853494620 588745914 /nfs/dbraw/zinc/74/59/14/588745914.db2.gz JVEZAKSCCVWKLK-ZDUSSCGKSA-N 0 1 238.375 2.323 20 0 BEADMN CC1C[C@H]2CC[C@@H](C1)N2CN1CCSC1=O ZINC000853605223 588750396 /nfs/dbraw/zinc/75/03/96/588750396.db2.gz IEBIWXTZOKVNHW-FGWVZKOKSA-N 0 1 240.372 2.376 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)C[C@@H]2CC2(C)C)C1 ZINC000853628132 588750647 /nfs/dbraw/zinc/75/06/47/588750647.db2.gz NSEAKBREFUHKDK-NEPJUHHUSA-N 0 1 238.375 2.180 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)C[C@H]2CC2(C)C)C1 ZINC000853628135 588750783 /nfs/dbraw/zinc/75/07/83/588750783.db2.gz NSEAKBREFUHKDK-VXGBXAGGSA-N 0 1 238.375 2.180 20 0 BEADMN CCC(N)=NOC[C@H](OC)C1CCCCC1 ZINC000853656480 588752701 /nfs/dbraw/zinc/75/27/01/588752701.db2.gz PJUKDGNVEBIJFY-NSHDSACASA-N 0 1 228.336 2.490 20 0 BEADMN O=C(NOc1ccccc1)[C@@H]1CCCSC1 ZINC000854535769 588791022 /nfs/dbraw/zinc/79/10/22/588791022.db2.gz KEMHFYAEOCMYKP-SNVBAGLBSA-N 0 1 237.324 2.240 20 0 BEADMN CCCCN(C)CN1C[C@H](C(C)C)CC1=O ZINC000113239595 588827673 /nfs/dbraw/zinc/82/76/73/588827673.db2.gz ZUWHAIUTOPQWGZ-GFCCVEGCSA-N 0 1 226.364 2.180 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1C=CCC1 ZINC000855430128 588834937 /nfs/dbraw/zinc/83/49/37/588834937.db2.gz UXCZJTGBBKCFDO-JTQLQIEISA-N 0 1 233.315 2.290 20 0 BEADMN CC(C)(C)[C@@H]1CN(C[C@@H]2CCC=CO2)CCO1 ZINC000790930857 582620429 /nfs/dbraw/zinc/62/04/29/582620429.db2.gz JIBDTNRDEIIYJJ-STQMWFEESA-N 0 1 239.359 2.426 20 0 BEADMN CCN(CC)Cc1ccnn1C1CCC1 ZINC000891438482 582685157 /nfs/dbraw/zinc/68/51/57/582685157.db2.gz MEXJZUJZICOPBJ-UHFFFAOYSA-N 0 1 207.321 2.450 20 0 BEADMN Cc1cnnc(NC[C@@H](c2ccco2)N(C)C)c1 ZINC000891485595 582691953 /nfs/dbraw/zinc/69/19/53/582691953.db2.gz QYLAACCPDUCYIH-NSHDSACASA-N 0 1 246.314 2.093 20 0 BEADMN c1cn(C2CC2)c(CN2C3CCC2CC3)n1 ZINC000891555267 582696622 /nfs/dbraw/zinc/69/66/22/582696622.db2.gz JWHCXVDBKJEIAZ-UHFFFAOYSA-N 0 1 217.316 2.345 20 0 BEADMN CCC[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000891578180 582697879 /nfs/dbraw/zinc/69/78/79/582697879.db2.gz JFDXYYWYOYEBDO-UHFFFAOYSA-N 0 1 207.321 2.139 20 0 BEADMN COc1nccc(CN(C)CC2CC2)c1F ZINC000891736350 582715312 /nfs/dbraw/zinc/71/53/12/582715312.db2.gz KTASDBGYUQQIHL-UHFFFAOYSA-N 0 1 224.279 2.071 20 0 BEADMN CCN(Cc1ccc(OC)o1)C[C@@H]1CCCO1 ZINC000891784540 582720885 /nfs/dbraw/zinc/72/08/85/582720885.db2.gz YUSNPMUUBABYHO-NSHDSACASA-N 0 1 239.315 2.289 20 0 BEADMN Cc1cc(F)ncc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000891917352 582737695 /nfs/dbraw/zinc/73/76/95/582737695.db2.gz QQWFHJLSZCZZAT-NSHDSACASA-N 0 1 238.306 2.140 20 0 BEADMN COc1ccc(CN2CC=C(C)CC2)o1 ZINC000892069961 582785950 /nfs/dbraw/zinc/78/59/50/582785950.db2.gz RFMDPFMIBSMDQJ-UHFFFAOYSA-N 0 1 207.273 2.440 20 0 BEADMN C[C@@H]1COCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892077449 582787116 /nfs/dbraw/zinc/78/71/16/582787116.db2.gz SHSADEKUNGZKMP-LBPRGKRZSA-N 0 1 249.358 2.076 20 0 BEADMN COc1nccc(CN2CC[C@H](C)[C@H]2C)c1F ZINC000892215564 582808212 /nfs/dbraw/zinc/80/82/12/582808212.db2.gz YALHZBBWQHCKHU-VHSXEESVSA-N 0 1 238.306 2.460 20 0 BEADMN CC[C@H]1CCN(Cc2ccnc(OC)c2F)C1 ZINC000892224500 582809350 /nfs/dbraw/zinc/80/93/50/582809350.db2.gz WHIVFMOAMVLECL-JTQLQIEISA-N 0 1 238.306 2.461 20 0 BEADMN CCCCC1(NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000889526819 582817854 /nfs/dbraw/zinc/81/78/54/582817854.db2.gz TYJPFECHPSEOSL-NSHDSACASA-N 0 1 249.358 2.427 20 0 BEADMN Cc1cc(N)nc(N(C)CCc2cccs2)n1 ZINC000892718347 582964331 /nfs/dbraw/zinc/96/43/31/582964331.db2.gz JFMNHCJUSMSDEV-UHFFFAOYSA-N 0 1 248.355 2.108 20 0 BEADMN Cc1cc(N)nc(N2CC[C@H](CC(C)C)C2)n1 ZINC000892748213 582975457 /nfs/dbraw/zinc/97/54/57/582975457.db2.gz AXADLSSBHFVVQS-LLVKDONJSA-N 0 1 234.347 2.240 20 0 BEADMN CC[C@H]1CCC[C@]1(C)C(=O)OCc1c[nH]nn1 ZINC000892994255 583027079 /nfs/dbraw/zinc/02/70/79/583027079.db2.gz CGWJZYZPRGRCAU-CABZTGNLSA-N 0 1 237.303 2.064 20 0 BEADMN CSCCCNCc1nnc(C2CC2)s1 ZINC000893007846 583029726 /nfs/dbraw/zinc/02/97/26/583029726.db2.gz FTLPKLTVUPIWMR-UHFFFAOYSA-N 0 1 243.401 2.258 20 0 BEADMN CN(C[C@H]1CC1(C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000856463439 588872996 /nfs/dbraw/zinc/87/29/96/588872996.db2.gz YLMOSHMOQIRHDQ-SNVBAGLBSA-N 0 1 247.342 2.405 20 0 BEADMN C[C@H](OC(=O)C(C)(C)C1CCC1)c1nnc[nH]1 ZINC000853226534 583030832 /nfs/dbraw/zinc/03/08/32/583030832.db2.gz YGGIOSZLTVMMGO-QMMMGPOBSA-N 0 1 237.303 2.235 20 0 BEADMN Cc1cc(F)ncc1CN[C@@H](C)c1cnn(C)c1 ZINC000893032563 583034811 /nfs/dbraw/zinc/03/48/11/583034811.db2.gz QWMPZUSBZRVEKN-JTQLQIEISA-N 0 1 248.305 2.113 20 0 BEADMN COc1ccccc1C[C@@H](C)NCc1cocn1 ZINC000395143028 583044318 /nfs/dbraw/zinc/04/43/18/583044318.db2.gz INVXAYXCCPDYKM-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN CC[C@H](NCc1nccn1C1CC1)[C@H]1CCCO1 ZINC000893256996 583079434 /nfs/dbraw/zinc/07/94/34/583079434.db2.gz XDHMEQOQCJFGGC-QWHCGFSZSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)SCCNCc1cn(C)nc1Cl ZINC000856787449 588877729 /nfs/dbraw/zinc/87/77/29/588877729.db2.gz CJTJJMNPGYZWAZ-UHFFFAOYSA-N 0 1 247.795 2.305 20 0 BEADMN Cn1cc(CN2CCCC2(C)C)c(Cl)n1 ZINC000857014852 588882047 /nfs/dbraw/zinc/88/20/47/588882047.db2.gz SAFZJXGBKOTHCN-UHFFFAOYSA-N 0 1 227.739 2.448 20 0 BEADMN C[C@H]1C[C@H](C)N(Cc2cn(C)nc2Cl)C1 ZINC000857022071 588882497 /nfs/dbraw/zinc/88/24/97/588882497.db2.gz DKCBEYJTIMLKER-IUCAKERBSA-N 0 1 227.739 2.304 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cc2cn(C)nc2Cl)C1 ZINC000857022072 588882636 /nfs/dbraw/zinc/88/26/36/588882636.db2.gz DKCBEYJTIMLKER-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@]1(C)CCC[C@@H]1C ZINC000893871565 583237266 /nfs/dbraw/zinc/23/72/66/583237266.db2.gz GAQUIVJWCZAGER-OUCADQQQSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1[nH]nc(CN(C)Cc2ccco2)c1C ZINC000893905582 583242545 /nfs/dbraw/zinc/24/25/45/583242545.db2.gz QSNALBRVCYTILN-UHFFFAOYSA-N 0 1 219.288 2.252 20 0 BEADMN CCN(Cc1[nH]nc(C)c1C)C[C@H]1CCCO1 ZINC000893973252 583264497 /nfs/dbraw/zinc/26/44/97/583264497.db2.gz IBBFXYMLTZESHK-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN CCOCCN(CC)Cc1cc(C)co1 ZINC000893978830 583266749 /nfs/dbraw/zinc/26/67/49/583266749.db2.gz XBOGPPMERWEJGP-UHFFFAOYSA-N 0 1 211.305 2.446 20 0 BEADMN CSc1ccc(CN(C)[C@@H]2CCOC2)o1 ZINC000894002350 583272090 /nfs/dbraw/zinc/27/20/90/583272090.db2.gz QJNWOSZMAHTXIG-SECBINFHSA-N 0 1 227.329 2.222 20 0 BEADMN Cc1n[nH]c(CN2CCS[C@H](C)[C@@H]2C)c1C ZINC000894033454 583277309 /nfs/dbraw/zinc/27/73/09/583277309.db2.gz DNXGEGDSARANLM-WDEREUQCSA-N 0 1 239.388 2.352 20 0 BEADMN CC[C@@H]1CN(Cc2ocnc2C)CCS1 ZINC000894033179 583277634 /nfs/dbraw/zinc/27/76/34/583277634.db2.gz BKMUGFNWXIXVAU-SNVBAGLBSA-N 0 1 226.345 2.310 20 0 BEADMN Cc1[nH]nc(CN(C)CCOC(C)(C)C)c1C ZINC000894072645 583296743 /nfs/dbraw/zinc/29/67/43/583296743.db2.gz UTYWRGHOXJSNGC-UHFFFAOYSA-N 0 1 239.363 2.273 20 0 BEADMN CC[C@@H]1CN(Cc2ccc(SC)o2)C[C@H]1O ZINC000894095385 583299977 /nfs/dbraw/zinc/29/99/77/583299977.db2.gz QSZQLZDDBNSKSV-MWLCHTKSSA-N 0 1 241.356 2.204 20 0 BEADMN C[C@@H]1C[C@H](C)N1Cc1cn2ccnc2s1 ZINC000894140541 583317217 /nfs/dbraw/zinc/31/72/17/583317217.db2.gz RZGLZGFROGXQQT-DTORHVGOSA-N 0 1 221.329 2.379 20 0 BEADMN CC1CN(Cc2nccc3c2CCCC3)C1 ZINC000894158720 583320915 /nfs/dbraw/zinc/32/09/15/583320915.db2.gz PFBJDSSNFDHVKV-UHFFFAOYSA-N 0 1 216.328 2.412 20 0 BEADMN c1ncc(CNc2ccc(N3CCCC3)cn2)[nH]1 ZINC000894198811 583336054 /nfs/dbraw/zinc/33/60/54/583336054.db2.gz DBYAMWWMKSIWHU-UHFFFAOYSA-N 0 1 243.314 2.017 20 0 BEADMN CN(Cc1cnc[nH]1)Cc1nc(Cl)cs1 ZINC000877620815 583339524 /nfs/dbraw/zinc/33/95/24/583339524.db2.gz YLOHFMDYWWIPQY-UHFFFAOYSA-N 0 1 242.735 2.152 20 0 BEADMN Cc1noc([C@H](C)NCC2CC(C)C2)n1 ZINC000857246842 588900876 /nfs/dbraw/zinc/90/08/76/588900876.db2.gz IZUZUZBQPWQKHG-ZCUBBSJVSA-N 0 1 209.293 2.075 20 0 BEADMN CC1=CCCN(Cc2c3c(nn2C)CCC3)C1 ZINC000894220539 583381990 /nfs/dbraw/zinc/38/19/90/583381990.db2.gz IICXQGGRYIYDEV-UHFFFAOYSA-N 0 1 231.343 2.061 20 0 BEADMN Cc1cc(CNCCF)c2c(n1)CCCC2 ZINC000894220523 583382390 /nfs/dbraw/zinc/38/23/90/583382390.db2.gz OGRVZYQINHTBRJ-UHFFFAOYSA-N 0 1 222.307 2.328 20 0 BEADMN C[C@@H]1C[C@H](c2ccccc2)CN1CN1CCC1=O ZINC000857232572 588897468 /nfs/dbraw/zinc/89/74/68/588897468.db2.gz FUKAFUSSZXBEKV-OCCSQVGLSA-N 0 1 244.338 2.054 20 0 BEADMN O=C1CCN1CN1CCCC[C@H]1c1ccccc1 ZINC000857234704 588898653 /nfs/dbraw/zinc/89/86/53/588898653.db2.gz TUEZHDWJKZHPMQ-AWEZNQCLSA-N 0 1 244.338 2.403 20 0 BEADMN Cc1ncoc1CN[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000894365816 583438641 /nfs/dbraw/zinc/43/86/41/583438641.db2.gz AJLGDMCONHSUCV-VIFPVBQESA-N 0 1 249.318 2.075 20 0 BEADMN c1ncc(CNc2cnc3c(c2)CCCC3)[nH]1 ZINC000894437989 583460202 /nfs/dbraw/zinc/46/02/02/583460202.db2.gz PJRXAOYMHXIKRF-UHFFFAOYSA-N 0 1 228.299 2.296 20 0 BEADMN CCCSC[C@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000894468270 583468516 /nfs/dbraw/zinc/46/85/16/583468516.db2.gz UQVWDMIHNMNZMD-DTWKUNHWSA-N 0 1 242.392 2.295 20 0 BEADMN Cc1ccc2c(c1)OCCN2Cc1cnc[nH]1 ZINC000894470356 583468965 /nfs/dbraw/zinc/46/89/65/583468965.db2.gz MGHRMHYBXXRBDL-UHFFFAOYSA-N 0 1 229.283 2.117 20 0 BEADMN C[C@H]1CN(Cc2cnc[nH]2)c2ccccc2O1 ZINC000894471921 583469137 /nfs/dbraw/zinc/46/91/37/583469137.db2.gz UROVOBDFXCLLGP-JTQLQIEISA-N 0 1 229.283 2.197 20 0 BEADMN Cc1[nH]nc(CN(CCO)c2ccccc2)c1C ZINC000894532401 583478267 /nfs/dbraw/zinc/47/82/67/583478267.db2.gz JSKLZUOIEJDCBF-UHFFFAOYSA-N 0 1 245.326 2.025 20 0 BEADMN Fc1cccc2c1OCC[C@@H]2NCc1cnc[nH]1 ZINC000894534072 583479082 /nfs/dbraw/zinc/47/90/82/583479082.db2.gz XOAWWBQYMPRYIV-LBPRGKRZSA-N 0 1 247.273 2.162 20 0 BEADMN CSc1ccc(CN2C[C@H](O)C(C)(C)C2)o1 ZINC000894597290 583493203 /nfs/dbraw/zinc/49/32/03/583493203.db2.gz XKGRPZXAVUUPKP-JTQLQIEISA-N 0 1 241.356 2.204 20 0 BEADMN Cc1[nH]nc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1C ZINC000894598236 583493600 /nfs/dbraw/zinc/49/36/00/583493600.db2.gz XKXPTDFUHKBCBZ-OTYXRUKQSA-N 0 1 249.358 2.026 20 0 BEADMN Cc1[nH]nc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1C ZINC000894598243 583493681 /nfs/dbraw/zinc/49/36/81/583493681.db2.gz XKXPTDFUHKBCBZ-YMTOWFKASA-N 0 1 249.358 2.026 20 0 BEADMN C[C@H]1CN(Cc2ccc(O)c(F)c2)[C@H]1C ZINC000894627318 583495173 /nfs/dbraw/zinc/49/51/73/583495173.db2.gz FUPJXTUXZRZRNZ-IUCAKERBSA-N 0 1 209.264 2.372 20 0 BEADMN COCCOc1ccc(CN2C[C@@H](C)[C@H]2C)o1 ZINC000894628165 583497613 /nfs/dbraw/zinc/49/76/13/583497613.db2.gz NQYGJWPDTSXTAJ-GHMZBOCLSA-N 0 1 239.315 2.145 20 0 BEADMN CC(C)CCCCN[C@H](C(N)=O)c1ccccn1 ZINC000894662727 583501221 /nfs/dbraw/zinc/50/12/21/583501221.db2.gz ZTOUABPRUAJCSH-ZDUSSCGKSA-N 0 1 249.358 2.024 20 0 BEADMN CC(C)c1c[nH]c(CN2CCC3(CCO3)CC2)n1 ZINC000894673575 583503660 /nfs/dbraw/zinc/50/36/60/583503660.db2.gz XIWCCTKPDXLIRN-UHFFFAOYSA-N 0 1 249.358 2.288 20 0 BEADMN CCC[C@@]1(NCc2ocnc2C)CCOC1 ZINC000894748910 583515185 /nfs/dbraw/zinc/51/51/85/583515185.db2.gz UAKCOVZLHPHYKT-GFCCVEGCSA-N 0 1 224.304 2.032 20 0 BEADMN O[C@@H](CN1CCC(F)CC1)c1cccc(F)c1 ZINC000880243153 583515881 /nfs/dbraw/zinc/51/58/81/583515881.db2.gz VLPAORIIJXGHOM-ZDUSSCGKSA-N 0 1 241.281 2.293 20 0 BEADMN CC1(C)CN(Cc2c[nH]cn2)[C@@H]1C1CC1 ZINC000894793020 583523078 /nfs/dbraw/zinc/52/30/78/583523078.db2.gz CICGAEFSXUXUFT-LLVKDONJSA-N 0 1 205.305 2.030 20 0 BEADMN C[C@H](CCO)Nc1ccc2cnccc2c1 ZINC000894809808 583523695 /nfs/dbraw/zinc/52/36/95/583523695.db2.gz XZDQTAHIJFNXIB-SNVBAGLBSA-N 0 1 216.284 2.418 20 0 BEADMN CCC1(C)CN(Cc2cnn(CCF)c2)C1 ZINC000894838576 583529131 /nfs/dbraw/zinc/52/91/31/583529131.db2.gz CYUAIHFVQAFHSP-UHFFFAOYSA-N 0 1 225.311 2.085 20 0 BEADMN C[C@@H]1CN(Cc2c3c(nn2C)CCCC3)[C@H]1C ZINC000894861164 583534430 /nfs/dbraw/zinc/53/44/30/583534430.db2.gz AEVILLNAIKKWNT-MNOVXSKESA-N 0 1 233.359 2.139 20 0 BEADMN CCOc1cncc(CN2C[C@H](C)[C@H]2C)c1 ZINC000894861211 583534518 /nfs/dbraw/zinc/53/45/18/583534518.db2.gz BJSGXRFQWPCBQN-WDEREUQCSA-N 0 1 220.316 2.321 20 0 BEADMN CC1(C)COC[C@@H]1Nc1cc2c(cn1)CCC2 ZINC000894865500 583537009 /nfs/dbraw/zinc/53/70/09/583537009.db2.gz XCFJFPDNVKXJNE-LBPRGKRZSA-N 0 1 232.327 2.407 20 0 BEADMN CC1(C)COC[C@H]1Nc1cc2c(cn1)CCC2 ZINC000894865499 583537129 /nfs/dbraw/zinc/53/71/29/583537129.db2.gz XCFJFPDNVKXJNE-GFCCVEGCSA-N 0 1 232.327 2.407 20 0 BEADMN CCC1CN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000894970227 583560407 /nfs/dbraw/zinc/56/04/07/583560407.db2.gz WQVKFZPADXYYDB-UHFFFAOYSA-N 0 1 233.267 2.228 20 0 BEADMN Cc1[nH]nc(CN2CC(CC(F)(F)F)C2)c1C ZINC000894976942 583562621 /nfs/dbraw/zinc/56/26/21/583562621.db2.gz MXIJHACXUXYBTC-UHFFFAOYSA-N 0 1 247.264 2.411 20 0 BEADMN CCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000857851939 588912441 /nfs/dbraw/zinc/91/24/41/588912441.db2.gz SRFFSSFEXGBSHT-PWSUYJOCSA-N 0 1 249.358 2.333 20 0 BEADMN CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000857851940 588912668 /nfs/dbraw/zinc/91/26/68/588912668.db2.gz SRFFSSFEXGBSHT-ZYHUDNBSSA-N 0 1 249.358 2.333 20 0 BEADMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1cnc[nH]1 ZINC000895053584 583574328 /nfs/dbraw/zinc/57/43/28/583574328.db2.gz OIFFKTWROVEUGO-QWHCGFSZSA-N 0 1 231.274 2.137 20 0 BEADMN F[C@]1(c2ccccc2)C[C@@H]1NCc1cnc[nH]1 ZINC000895053585 583574501 /nfs/dbraw/zinc/57/45/01/583574501.db2.gz OIFFKTWROVEUGO-STQMWFEESA-N 0 1 231.274 2.137 20 0 BEADMN C[C@@H]1C[C@@H]1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068466 583578749 /nfs/dbraw/zinc/57/87/49/583578749.db2.gz ASFFGKKXGNBCEY-GHMZBOCLSA-N 0 1 231.343 2.303 20 0 BEADMN C[C@H]1C[C@H]1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068468 583579015 /nfs/dbraw/zinc/57/90/15/583579015.db2.gz ASFFGKKXGNBCEY-QWRGUYRKSA-N 0 1 231.343 2.303 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000083989089 583583015 /nfs/dbraw/zinc/58/30/15/583583015.db2.gz QPYJJEFRZXJJCW-NSHDSACASA-N 0 1 213.321 2.219 20 0 BEADMN Cc1nc(C)c(CN(C(C)C)[C@@H]2CCOC2)o1 ZINC000643388213 583585085 /nfs/dbraw/zinc/58/50/85/583585085.db2.gz RRNRJBPRURORSQ-GFCCVEGCSA-N 0 1 238.331 2.291 20 0 BEADMN C[C@H]1c2sccc2CCN1C(=O)c1cnc[nH]1 ZINC000882188130 583597678 /nfs/dbraw/zinc/59/76/78/583597678.db2.gz KXOAYGGAOXJTPX-QMMMGPOBSA-N 0 1 247.323 2.231 20 0 BEADMN CCN(Cc1[nH]nc(C)c1C)[C@@H]1CCCOC1 ZINC000895137227 583602357 /nfs/dbraw/zinc/60/23/57/583602357.db2.gz KWMDMVJEQBMWAC-GFCCVEGCSA-N 0 1 237.347 2.027 20 0 BEADMN Cc1cc(C)c2c(c1)N(Cc1cnc[nH]1)CCO2 ZINC000895140329 583602942 /nfs/dbraw/zinc/60/29/42/583602942.db2.gz QCALNMCKBFSWMZ-UHFFFAOYSA-N 0 1 243.310 2.426 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC000882486342 583617704 /nfs/dbraw/zinc/61/77/04/583617704.db2.gz QHSZRGHXVMIICV-QWHCGFSZSA-N 0 1 240.391 2.269 20 0 BEADMN CCc1ccc(C)nc1NCc1c[nH]cn1 ZINC000895237119 583630327 /nfs/dbraw/zinc/63/03/27/583630327.db2.gz QJYCKXNJRNICIA-UHFFFAOYSA-N 0 1 216.288 2.288 20 0 BEADMN CC1=NO[C@H](CNCc2cc(C)ccc2F)C1 ZINC000895309260 583646403 /nfs/dbraw/zinc/64/64/03/583646403.db2.gz RYEXEGDQHCTVGN-LBPRGKRZSA-N 0 1 236.290 2.389 20 0 BEADMN CC1=NO[C@@H](CNCc2cc(C)ccc2F)C1 ZINC000895309258 583646565 /nfs/dbraw/zinc/64/65/65/583646565.db2.gz RYEXEGDQHCTVGN-GFCCVEGCSA-N 0 1 236.290 2.389 20 0 BEADMN CC1=NO[C@H](CNCc2ccc(F)c(F)c2)C1 ZINC000895311848 583647128 /nfs/dbraw/zinc/64/71/28/583647128.db2.gz SOEYBEIWBSZQCB-JTQLQIEISA-N 0 1 240.253 2.219 20 0 BEADMN COc1ccc(C)cc1CNC[C@@H]1CC(C)=NO1 ZINC000895312085 583647221 /nfs/dbraw/zinc/64/72/21/583647221.db2.gz UABXZQHQUABVLB-ZDUSSCGKSA-N 0 1 248.326 2.258 20 0 BEADMN c1ccc2c(c1)C=C(C[N@H+]1CCCOCC1)CO2 ZINC000335568421 583648175 /nfs/dbraw/zinc/64/81/75/583648175.db2.gz MSZHHPSDRGXZSU-UHFFFAOYSA-N 0 1 245.322 2.185 20 0 BEADMN c1ccc2c(c1)C=C(CN1CCCOCC1)CO2 ZINC000335568421 583648176 /nfs/dbraw/zinc/64/81/76/583648176.db2.gz MSZHHPSDRGXZSU-UHFFFAOYSA-N 0 1 245.322 2.185 20 0 BEADMN CCc1ccc(C)nc1N[C@@H](C)COC(C)=O ZINC000895329384 583651804 /nfs/dbraw/zinc/65/18/04/583651804.db2.gz DYEMAKUBXFLGHO-JTQLQIEISA-N 0 1 236.315 2.316 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@@H]3COC[C@H]3C2)n1 ZINC000895334875 583652797 /nfs/dbraw/zinc/65/27/97/583652797.db2.gz HZFLQEVRMSANJL-VXGBXAGGSA-N 0 1 249.358 2.001 20 0 BEADMN CC(C)c1c[nH]c(CN2CC[C@H]3COC[C@@H]3C2)n1 ZINC000895334873 583652952 /nfs/dbraw/zinc/65/29/52/583652952.db2.gz HZFLQEVRMSANJL-RYUDHWBXSA-N 0 1 249.358 2.001 20 0 BEADMN CCOc1ccc(CN[C@@H]2C=CCC2)o1 ZINC000895338630 583653869 /nfs/dbraw/zinc/65/38/69/583653869.db2.gz TVJVIQXKKKRVNG-SNVBAGLBSA-N 0 1 207.273 2.487 20 0 BEADMN COc1cccc(CNCc2c[nH]cn2)c1C ZINC000895353709 583657471 /nfs/dbraw/zinc/65/74/71/583657471.db2.gz UGUBYZIMOVLZSI-UHFFFAOYSA-N 0 1 231.299 2.017 20 0 BEADMN COc1ccc(CN[C@@H]2COC3(CCC3)C2)o1 ZINC000895361638 583658909 /nfs/dbraw/zinc/65/89/09/583658909.db2.gz BTWSOSAUULXXTE-JTQLQIEISA-N 0 1 237.299 2.089 20 0 BEADMN Cc1[nH]nc(CN2Cc3ccc(O)cc3C2)c1C ZINC000895390961 583664128 /nfs/dbraw/zinc/66/41/28/583664128.db2.gz ROMLZFREBPADOM-UHFFFAOYSA-N 0 1 243.310 2.248 20 0 BEADMN CCOC(=O)C1=CC[C@H](NCc2cc(C)co2)C1 ZINC000895393508 583664573 /nfs/dbraw/zinc/66/45/73/583664573.db2.gz LDMDLQYTZWVQMM-LBPRGKRZSA-N 0 1 249.310 2.330 20 0 BEADMN c1cn(C2CC2)c(CN2CC[C@H]3C[C@H]3C2)n1 ZINC000895435510 583668923 /nfs/dbraw/zinc/66/89/23/583668923.db2.gz ZRYATVWCBAEERQ-QWRGUYRKSA-N 0 1 217.316 2.060 20 0 BEADMN [O-]c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000895434259 583672318 /nfs/dbraw/zinc/67/23/18/583672318.db2.gz UPAZCTBYYHGJBF-GHMZBOCLSA-N 0 1 221.275 2.373 20 0 BEADMN [O-]c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000895434259 583672319 /nfs/dbraw/zinc/67/23/19/583672319.db2.gz UPAZCTBYYHGJBF-GHMZBOCLSA-N 0 1 221.275 2.373 20 0 BEADMN CCC[C@H](C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895448122 583675816 /nfs/dbraw/zinc/67/58/16/583675816.db2.gz YLFLPSBBBWMRBG-QWRGUYRKSA-N 0 1 226.364 2.164 20 0 BEADMN c1snnc1CNCC1(CC2CC2)CC1 ZINC000895530420 583684806 /nfs/dbraw/zinc/68/48/06/583684806.db2.gz ADNMOPIRGVOCBF-UHFFFAOYSA-N 0 1 223.345 2.208 20 0 BEADMN CC(C)n1cncc1CN1CCC(F)CC1 ZINC000895546594 583689770 /nfs/dbraw/zinc/68/97/70/583689770.db2.gz QHTUBQXCDUGQMN-UHFFFAOYSA-N 0 1 225.311 2.398 20 0 BEADMN CONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000895624230 583697821 /nfs/dbraw/zinc/69/78/21/583697821.db2.gz XWFSZTDJNKFWFQ-LBPRGKRZSA-N 0 1 234.299 2.033 20 0 BEADMN C[C@H]1CCCC[C@H]1N(C)C(=O)[C@H]1CCCN1C ZINC000895630131 583698167 /nfs/dbraw/zinc/69/81/67/583698167.db2.gz UYJUVQHUXDOPOX-YNEHKIRRSA-N 0 1 238.375 2.118 20 0 BEADMN Cc1cc(CN2C[C@@H]3C[C@]3(O)C2)ccc1Cl ZINC000895656401 583701871 /nfs/dbraw/zinc/70/18/71/583701871.db2.gz YGDGYWIYKRLLHS-AAEUAGOBSA-N 0 1 237.730 2.215 20 0 BEADMN CC(C)Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ncn1 ZINC000895736036 583717872 /nfs/dbraw/zinc/71/78/72/583717872.db2.gz ZPOGXOQTAXLQON-DGCLKSJQSA-N 0 1 248.374 2.180 20 0 BEADMN CCSCCNCc1cc(C2CC2)no1 ZINC000895765825 583719445 /nfs/dbraw/zinc/71/94/45/583719445.db2.gz RJKPVUAHZXQBOE-UHFFFAOYSA-N 0 1 226.345 2.395 20 0 BEADMN COC1CCC(N[C@@H](C)c2ncco2)CC1 ZINC000895764787 583723512 /nfs/dbraw/zinc/72/35/12/583723512.db2.gz JBQFCAVPLJEOOS-WHXUTIOJSA-N 0 1 224.304 2.283 20 0 BEADMN C[N@H+]1CC[C@H]1CNc1nc2c(cccc2F)o1 ZINC000895771451 583725618 /nfs/dbraw/zinc/72/56/18/583725618.db2.gz ZGABHMLLZSXOPV-QMMMGPOBSA-N 0 1 235.262 2.083 20 0 BEADMN CN1CC[C@H]1CNc1nc2c(cccc2F)o1 ZINC000895771451 583725621 /nfs/dbraw/zinc/72/56/21/583725621.db2.gz ZGABHMLLZSXOPV-QMMMGPOBSA-N 0 1 235.262 2.083 20 0 BEADMN CC(C)OC(=O)C1CCN(CC2(F)CC2)CC1 ZINC000895830080 583735538 /nfs/dbraw/zinc/73/55/38/583735538.db2.gz YCJBMTRVESRNNX-UHFFFAOYSA-N 0 1 243.322 2.152 20 0 BEADMN Cc1cc(CN[C@H](C)c2ccnn2C)cnc1F ZINC000895860651 583736021 /nfs/dbraw/zinc/73/60/21/583736021.db2.gz BESDTSYYQQTLJO-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN CN(CCCF)Cc1ccnn1CC1CC1 ZINC000895895611 583742765 /nfs/dbraw/zinc/74/27/65/583742765.db2.gz ATYBCMOEDJSTCO-UHFFFAOYSA-N 0 1 225.311 2.085 20 0 BEADMN CCc1ncc(CN2C[C@@H](OC)CC[C@@H]2C)cn1 ZINC000895926029 583747584 /nfs/dbraw/zinc/74/75/84/583747584.db2.gz AZXRVSFPURPGDP-AAEUAGOBSA-N 0 1 249.358 2.038 20 0 BEADMN CO[C@@H]1CC[C@H](C)N(Cc2ccc(F)nc2)C1 ZINC000895926001 583747933 /nfs/dbraw/zinc/74/79/33/583747933.db2.gz ASZYXZDAVVEJTJ-CMPLNLGQSA-N 0 1 238.306 2.220 20 0 BEADMN CC[C@@H]1C[C@H](CN2CC(OC(C)C)C2)CCO1 ZINC000895955927 583752407 /nfs/dbraw/zinc/75/24/07/583752407.db2.gz ZAFYJZSSZOLYNW-CHWSQXEVSA-N 0 1 241.375 2.301 20 0 BEADMN COC1(CN2CC(OC(C)C)C2)CCCC1 ZINC000895955242 583752492 /nfs/dbraw/zinc/75/24/92/583752492.db2.gz PVWJMELILXHILX-UHFFFAOYSA-N 0 1 227.348 2.055 20 0 BEADMN CO[C@@H]1CN(C[C@H]2CC(C)=C[C@@H](C)C2)CCO1 ZINC000895968124 583754472 /nfs/dbraw/zinc/75/44/72/583754472.db2.gz HXOZTXMODWWKGA-BNOWGMLFSA-N 0 1 239.359 2.284 20 0 BEADMN COCC1CN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000895972402 583756868 /nfs/dbraw/zinc/75/68/68/583756868.db2.gz XPSKIZUXLLBGCO-MFKMUULPSA-N 0 1 235.327 2.481 20 0 BEADMN COCC1CN(Cc2cccc(Cl)c2)C1 ZINC000895972526 583757088 /nfs/dbraw/zinc/75/70/88/583757088.db2.gz ZQQUGLFVHYFNHL-UHFFFAOYSA-N 0 1 225.719 2.418 20 0 BEADMN CCC/C(C)=C\C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000727742266 583759724 /nfs/dbraw/zinc/75/97/24/583759724.db2.gz GYALFIHDQSRCLL-MMRAYRKESA-N 0 1 238.375 2.332 20 0 BEADMN Cc1cc(F)ncc1CN1CCC(F)CC1 ZINC000895999516 583760088 /nfs/dbraw/zinc/76/00/88/583760088.db2.gz IIXBMJXUKQHWDN-UHFFFAOYSA-N 0 1 226.270 2.463 20 0 BEADMN Cn1cc(CN2CCC(F)CC2)c(C2CC2)n1 ZINC000896000076 583760462 /nfs/dbraw/zinc/76/04/62/583760462.db2.gz NRGAMDYLBFBOMW-UHFFFAOYSA-N 0 1 237.322 2.231 20 0 BEADMN COc1ccc(CN2CCC(F)CC2)o1 ZINC000896000255 583760570 /nfs/dbraw/zinc/76/05/70/583760570.db2.gz PMCCTRHBSJUBPR-UHFFFAOYSA-N 0 1 213.252 2.222 20 0 BEADMN Cc1cccc(NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)n1 ZINC000896076794 583768954 /nfs/dbraw/zinc/76/89/54/583768954.db2.gz BGLDCUIZEWMFGH-XQQFMLRXSA-N 0 1 230.311 2.393 20 0 BEADMN CCCN(C(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000896162759 583776518 /nfs/dbraw/zinc/77/65/18/583776518.db2.gz USMWVMCWIMPVQY-GFCCVEGCSA-N 0 1 238.375 2.260 20 0 BEADMN CCC(CC)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000896182487 583778904 /nfs/dbraw/zinc/77/89/04/583778904.db2.gz UTKPIFKMAFSPTC-GFCCVEGCSA-N 0 1 240.391 2.412 20 0 BEADMN c1c(CN[C@@H]2CCO[C@H]2C2CC2)onc1C1CC1 ZINC000896409855 583800746 /nfs/dbraw/zinc/80/07/46/583800746.db2.gz UECFSMKRYRGUPR-OCCSQVGLSA-N 0 1 248.326 2.209 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000896584401 583815092 /nfs/dbraw/zinc/81/50/92/583815092.db2.gz CXERPHCDOXXRRM-RWMBFGLXSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1ncc(CN2CCO[C@H](C)CC2)s1 ZINC000896583993 583815371 /nfs/dbraw/zinc/81/53/71/583815371.db2.gz LJGTZMLJLBYAEX-SNVBAGLBSA-N 0 1 240.372 2.316 20 0 BEADMN COCc1ccc(CN2CCO[C@@H](C)CC2)o1 ZINC000896583341 583815574 /nfs/dbraw/zinc/81/55/74/583815574.db2.gz FQDTXIYXVFUUOO-NSHDSACASA-N 0 1 239.315 2.037 20 0 BEADMN CC[C@](C)(CN[C@H](c1ncccn1)C1CC1)OC ZINC000896598236 583816708 /nfs/dbraw/zinc/81/67/08/583816708.db2.gz GBFKASCFKCEUHH-GXTWGEPZSA-N 0 1 249.358 2.332 20 0 BEADMN CS[C@@H]1CC[C@@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000896598192 583816892 /nfs/dbraw/zinc/81/68/92/583816892.db2.gz FFWSATXSHAEHSE-QJPTWQEYSA-N 0 1 249.383 2.411 20 0 BEADMN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC000896693812 583824074 /nfs/dbraw/zinc/82/40/74/583824074.db2.gz IXHXYEYWVOIKJY-WOPDTQHZSA-N 0 1 226.364 2.022 20 0 BEADMN CO[C@](C)(CN1CCn2cccc2C1)C1CC1 ZINC000896760729 583831471 /nfs/dbraw/zinc/83/14/71/583831471.db2.gz FFEADYXJIDIMOG-CQSZACIVSA-N 0 1 234.343 2.119 20 0 BEADMN CC(C)(CNc1ncnc2[nH]cnc21)C1CC1 ZINC000896786069 583833611 /nfs/dbraw/zinc/83/36/11/583833611.db2.gz ROUZZOAXPMAUII-UHFFFAOYSA-N 0 1 231.303 2.153 20 0 BEADMN CC1CC(NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC000896826490 583837005 /nfs/dbraw/zinc/83/70/05/583837005.db2.gz XOWIECQAODKROL-IDKOKCKLSA-N 0 1 247.342 2.063 20 0 BEADMN C[C@H]1CCc2n[nH]c(C(=O)NCC3(C)CC3)c2C1 ZINC000896833868 583838385 /nfs/dbraw/zinc/83/83/85/583838385.db2.gz YFZKDBKWTUIMCL-VIFPVBQESA-N 0 1 247.342 2.064 20 0 BEADMN C[C@H](NC(CF)CF)[C@@H]1C[C@H]1C1CC1 ZINC000858169673 588936947 /nfs/dbraw/zinc/93/69/47/588936947.db2.gz CCTPFURNHLGKST-SWPVVBRQSA-N 0 1 203.276 2.318 20 0 BEADMN CSCC1CCN(Cc2cnccn2)CC1 ZINC000896940278 583863043 /nfs/dbraw/zinc/86/30/43/583863043.db2.gz DKMKLFPSLACGND-UHFFFAOYSA-N 0 1 237.372 2.052 20 0 BEADMN Cc1nnc(CN[C@@H]2CCS[C@H](C)C2)s1 ZINC000896951759 583863914 /nfs/dbraw/zinc/86/39/14/583863914.db2.gz LOQMTIBAYXXGQV-VXNVDRBHSA-N 0 1 243.401 2.220 20 0 BEADMN CCO[C@H]1CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000897061583 583875231 /nfs/dbraw/zinc/87/52/31/583875231.db2.gz LFSUMYYTEWMCSG-AWEZNQCLSA-N 0 1 249.358 2.219 20 0 BEADMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C1CCC1 ZINC000897217521 583897242 /nfs/dbraw/zinc/89/72/42/583897242.db2.gz DNVYADUSPGJVHF-ZYHUDNBSSA-N 0 1 238.375 2.164 20 0 BEADMN Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2F)c1C ZINC000870488272 583921355 /nfs/dbraw/zinc/92/13/55/583921355.db2.gz KYAAIRGGTAMCOI-VHSXEESVSA-N 0 1 239.294 2.037 20 0 BEADMN C[C@@H](CC1CC1)NCc1noc2c1COCC2 ZINC000897365265 583942726 /nfs/dbraw/zinc/94/27/26/583942726.db2.gz CXIIPLWFYVOLAO-VIFPVBQESA-N 0 1 236.315 2.026 20 0 BEADMN C[C@@H]1CC=CC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000897393530 583948841 /nfs/dbraw/zinc/94/88/41/583948841.db2.gz NVJRDUUXEBAHGQ-RKDXNWHRSA-N 0 1 229.287 2.120 20 0 BEADMN CC(C)(CNCc1csnn1)C1CC1 ZINC000897438327 583983428 /nfs/dbraw/zinc/98/34/28/583983428.db2.gz ALBVCLDEGIYSEK-UHFFFAOYSA-N 0 1 211.334 2.064 20 0 BEADMN CC(C)(CNCc1cocn1)C1CCOCC1 ZINC000897446265 583986692 /nfs/dbraw/zinc/98/66/92/583986692.db2.gz DAEBPHNNGQEJRH-UHFFFAOYSA-N 0 1 238.331 2.217 20 0 BEADMN C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000897512244 583999286 /nfs/dbraw/zinc/99/92/86/583999286.db2.gz RUGLKGONGZGFJO-XQQFMLRXSA-N 0 1 238.375 2.166 20 0 BEADMN CCC(C)(C)CNC(=O)c1cncc2nc[nH]c21 ZINC000897565744 584018863 /nfs/dbraw/zinc/01/88/63/584018863.db2.gz UKSPKPMZFPFHLI-UHFFFAOYSA-N 0 1 246.314 2.124 20 0 BEADMN COc1ccccc1C[C@@H](C)NCc1ccon1 ZINC000148652073 584023877 /nfs/dbraw/zinc/02/38/77/584023877.db2.gz ZAPFXPVBJFXNGE-LLVKDONJSA-N 0 1 246.310 2.404 20 0 BEADMN C[C@H]1CN(Cc2cc(Cl)cs2)C[C@@H]1O ZINC000897678974 584037512 /nfs/dbraw/zinc/03/75/12/584037512.db2.gz GJMPBRMAEPOPKF-XVKPBYJWSA-N 0 1 231.748 2.214 20 0 BEADMN COc1ccccc1/C=C\C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684143 584040537 /nfs/dbraw/zinc/04/05/37/584040537.db2.gz KAFQEAIBALINKE-DOFRETIQSA-N 0 1 247.338 2.021 20 0 BEADMN CC1(C)C[C@H](NCc2cocn2)CCS1 ZINC000897795195 584049253 /nfs/dbraw/zinc/04/92/53/584049253.db2.gz MVQQHHHVWKKVEY-SECBINFHSA-N 0 1 226.345 2.438 20 0 BEADMN Cc1cn[nH]c1CNc1cnn(C2CCC2)c1 ZINC000897878288 584056997 /nfs/dbraw/zinc/05/69/97/584056997.db2.gz XIFKLAVKMPJULO-UHFFFAOYSA-N 0 1 231.303 2.252 20 0 BEADMN CC[C@@H](NC(=O)[C@@H]1CCCN1C)[C@@H]1CC1(C)C ZINC000897988433 584072161 /nfs/dbraw/zinc/07/21/61/584072161.db2.gz QFCBGSAKOFCHHR-TUAOUCFPSA-N 0 1 238.375 2.022 20 0 BEADMN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1cnccn1 ZINC000898047050 584073691 /nfs/dbraw/zinc/07/36/91/584073691.db2.gz QDOJKOQCKRKJMS-NWDGAFQWSA-N 0 1 249.358 2.475 20 0 BEADMN COc1nn(C)cc1CNCc1cccc(C)c1 ZINC000898027829 584076326 /nfs/dbraw/zinc/07/63/26/584076326.db2.gz AUMHHHJARWBXFP-UHFFFAOYSA-N 0 1 245.326 2.027 20 0 BEADMN CCCSC[C@@H](C)NCc1cn(C)cn1 ZINC000898042457 584080874 /nfs/dbraw/zinc/08/08/74/584080874.db2.gz RJAMONGORCRXAN-SNVBAGLBSA-N 0 1 227.377 2.041 20 0 BEADMN CCn1ncc(CN[C@@H](C)C(C)(C)C(F)F)n1 ZINC000858445074 588955297 /nfs/dbraw/zinc/95/52/97/588955297.db2.gz ZTDOOEULYBRDLU-QMMMGPOBSA-N 0 1 246.305 2.067 20 0 BEADMN Cc1nc[nH]c1C(=O)Nc1n[nH]c(C(C)C)c1C ZINC000898087000 584083194 /nfs/dbraw/zinc/08/31/94/584083194.db2.gz ULAOGTVLJQCBHX-UHFFFAOYSA-N 0 1 247.302 2.125 20 0 BEADMN OCCc1ccc(CNCc2ccco2)cc1 ZINC000898172783 584088716 /nfs/dbraw/zinc/08/87/16/584088716.db2.gz ZLFFJWRHKVEJFJ-UHFFFAOYSA-N 0 1 231.295 2.104 20 0 BEADMN O[C@@H](CCNCc1ncc(Cl)s1)C1CC1 ZINC000898202399 584089847 /nfs/dbraw/zinc/08/98/47/584089847.db2.gz ARESBFJXHGJBHI-QMMMGPOBSA-N 0 1 246.763 2.047 20 0 BEADMN O[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1F ZINC000898189119 584094996 /nfs/dbraw/zinc/09/49/96/584094996.db2.gz XCCKARRQJOIHBO-ZQDZILKHSA-N 0 1 249.329 2.195 20 0 BEADMN Cc1cc(CNCCc2cccnc2C)no1 ZINC000898251354 584100566 /nfs/dbraw/zinc/10/05/66/584100566.db2.gz AGYXWLKTDGIHSM-UHFFFAOYSA-N 0 1 231.299 2.019 20 0 BEADMN COC1(CNCc2ncc[nH]2)CCCCCC1 ZINC000898263805 584103841 /nfs/dbraw/zinc/10/38/41/584103841.db2.gz MRVSAKFWVFWJGB-UHFFFAOYSA-N 0 1 237.347 2.239 20 0 BEADMN Cc1ncccc1CCNCc1cscn1 ZINC000898256446 584106589 /nfs/dbraw/zinc/10/65/89/584106589.db2.gz BMMABJVUIDFTTG-UHFFFAOYSA-N 0 1 233.340 2.179 20 0 BEADMN C[C@H]1[C@H](C)N(c2nc(Cl)cs2)CCN1C ZINC000858466047 588957292 /nfs/dbraw/zinc/95/72/92/588957292.db2.gz UPMLSDDICOXHEP-YUMQZZPRSA-N 0 1 245.779 2.325 20 0 BEADMN c1c(CN[C@@H]2COC[C@H]2C2CC2)onc1C1CC1 ZINC000898375669 584113553 /nfs/dbraw/zinc/11/35/53/584113553.db2.gz GKSACFNXYOJCMN-GXTWGEPZSA-N 0 1 248.326 2.067 20 0 BEADMN c1c(CN[C@H]2COC[C@@H]2C2CC2)onc1C1CC1 ZINC000898375671 584113562 /nfs/dbraw/zinc/11/35/62/584113562.db2.gz GKSACFNXYOJCMN-OCCSQVGLSA-N 0 1 248.326 2.067 20 0 BEADMN COC(=O)C1=CC[C@H](N[C@H](C)c2ccco2)C1 ZINC000858474568 588958394 /nfs/dbraw/zinc/95/83/94/588958394.db2.gz BNTZZDYTLVJBCG-KOLCDFICSA-N 0 1 235.283 2.192 20 0 BEADMN CC(C)[C@H](C(=O)OC1CCCCC1)N(C)C ZINC000730088320 584122214 /nfs/dbraw/zinc/12/22/14/584122214.db2.gz BRNOJKNCOYPQOK-GFCCVEGCSA-N 0 1 227.348 2.449 20 0 BEADMN FC(F)(F)c1cc(CNCC=CCl)[nH]n1 ZINC000898426831 584131942 /nfs/dbraw/zinc/13/19/42/584131942.db2.gz AKCJZEZRPSHTSI-UPHRSURJSA-N 0 1 239.628 2.271 20 0 BEADMN FC(F)(F)c1cc(CNCC=CCl)[nH]n1 ZINC000898426830 584132187 /nfs/dbraw/zinc/13/21/87/584132187.db2.gz AKCJZEZRPSHTSI-OWOJBTEDSA-N 0 1 239.628 2.271 20 0 BEADMN CCc1onc(C)c1CNC/C=C/Cl ZINC000898428137 584132934 /nfs/dbraw/zinc/13/29/34/584132934.db2.gz MMNYUMJJKPNYTM-SNAWJCMRSA-N 0 1 214.696 2.388 20 0 BEADMN COCCc1ncc(CNC/C=C/Cl)s1 ZINC000898428731 584133019 /nfs/dbraw/zinc/13/30/19/584133019.db2.gz OWSZVQUIUGPTMM-DUXPYHPUSA-N 0 1 246.763 2.174 20 0 BEADMN Cn1ncc(CNC/C=C/Cl)c1C1CC1 ZINC000898428372 584133222 /nfs/dbraw/zinc/13/32/22/584133222.db2.gz OBBHMJBFVUOTIN-GORDUTHDSA-N 0 1 225.723 2.140 20 0 BEADMN Cc1c(F)nccc1CNC/C=C/Cl ZINC000898429973 584134255 /nfs/dbraw/zinc/13/42/55/584134255.db2.gz RLXHGJKRWNZCOP-DUXPYHPUSA-N 0 1 214.671 2.371 20 0 BEADMN Cl/C=C/CNCc1cnc(C2CC2)nc1 ZINC000898430307 584134467 /nfs/dbraw/zinc/13/44/67/584134467.db2.gz YJHARLVKXSWSLM-DAFODLJHSA-N 0 1 223.707 2.196 20 0 BEADMN Cc1nc(F)ccc1CNC/C=C/Cl ZINC000898433991 584135401 /nfs/dbraw/zinc/13/54/01/584135401.db2.gz RADJLJRUMVYSPF-GORDUTHDSA-N 0 1 214.671 2.371 20 0 BEADMN Cc1nc2ccccn2c1CNC/C=C\Cl ZINC000898436405 584136320 /nfs/dbraw/zinc/13/63/20/584136320.db2.gz TVZHTXIBZFUGJM-XQRVVYSFSA-N 0 1 235.718 2.485 20 0 BEADMN CC(C)(C)N1CC[C@@H]1C(=O)NC(C)(C)C1CC1 ZINC000898463299 584138835 /nfs/dbraw/zinc/13/88/35/584138835.db2.gz XSMVBSHKBWLFDE-LLVKDONJSA-N 0 1 238.375 2.164 20 0 BEADMN COC(C)(C)CC(=O)NOc1ccc(F)cc1 ZINC000898574237 584142525 /nfs/dbraw/zinc/14/25/25/584142525.db2.gz KCTJVLFOAYUJDO-UHFFFAOYSA-N 0 1 241.262 2.051 20 0 BEADMN CC[C@@H](C)CCC(=O)N1CC(N2CCCC2)C1 ZINC000898605505 584145008 /nfs/dbraw/zinc/14/50/08/584145008.db2.gz XAMXSGUIFDTUDI-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CC(C)(F)CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000898725187 584155626 /nfs/dbraw/zinc/15/56/26/584155626.db2.gz NJGBBHUYNWVGIY-SNVBAGLBSA-N 0 1 244.354 2.114 20 0 BEADMN CC(C)(C)N1CC[C@H]1C(=O)NC1CC(C)(C)C1 ZINC000898986784 584168625 /nfs/dbraw/zinc/16/86/25/584168625.db2.gz IGRPWNANGMJSKK-NSHDSACASA-N 0 1 238.375 2.164 20 0 BEADMN O=C(CC1CCCC1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899099438 584176200 /nfs/dbraw/zinc/17/62/00/584176200.db2.gz CVYDDDBVLJIRNZ-NSHDSACASA-N 0 1 248.330 2.049 20 0 BEADMN CCN1CCN(c2nc(Cl)cs2)[C@@H](C)C1 ZINC000858542233 588964115 /nfs/dbraw/zinc/96/41/15/588964115.db2.gz AVXCLYJHTIFMKS-QMMMGPOBSA-N 0 1 245.779 2.327 20 0 BEADMN NCc1ncc(-c2cccc3c2CCC3)cn1 ZINC000899321976 584196564 /nfs/dbraw/zinc/19/65/64/584196564.db2.gz BTCOZMYKNCQUQR-UHFFFAOYSA-N 0 1 225.295 2.091 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1CCc1ccncc1 ZINC000899349691 584202920 /nfs/dbraw/zinc/20/29/20/584202920.db2.gz KBAIKFXWDCDZAM-UHFFFAOYSA-N 0 1 243.310 2.013 20 0 BEADMN O=c1cc(CC2CC2)[nH]n1[C@@H]1CCCSC1 ZINC000899357783 584206486 /nfs/dbraw/zinc/20/64/86/584206486.db2.gz MZZZWHXKPDLXLM-LLVKDONJSA-N 0 1 238.356 2.270 20 0 BEADMN Cc1[nH]n(C2CCC(F)(F)CC2)c(=O)c1C ZINC000899366259 584208241 /nfs/dbraw/zinc/20/82/41/584208241.db2.gz JONLHYUGZQXVHP-SSDOTTSWSA-N 0 1 230.258 2.419 20 0 BEADMN Fc1ccccc1-n1cc([C@@H]2CCCCN2)nn1 ZINC000899682876 584224202 /nfs/dbraw/zinc/22/42/02/584224202.db2.gz SRYFFGSXEWMZPG-NSHDSACASA-N 0 1 246.289 2.221 20 0 BEADMN CCn1cc(CN(C2CCC2)C2CCC2)nn1 ZINC000899869266 584243581 /nfs/dbraw/zinc/24/35/81/584243581.db2.gz ZHQCMBKPSSECNT-UHFFFAOYSA-N 0 1 234.347 2.205 20 0 BEADMN Cc1noc([C@@H]2NCC[C@H]3CCCC[C@H]32)n1 ZINC000899992954 584263019 /nfs/dbraw/zinc/26/30/19/584263019.db2.gz GHUMMTDYWUDLKC-GMTAPVOTSA-N 0 1 221.304 2.219 20 0 BEADMN CCC(CC)N(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000900498113 584316989 /nfs/dbraw/zinc/31/69/89/584316989.db2.gz UPOXPGLPIPLSEV-UHFFFAOYSA-N 0 1 235.331 2.132 20 0 BEADMN Cc1ccc(N(C)C(=O)CN(C)C2CCC2)cc1 ZINC000900491331 584317090 /nfs/dbraw/zinc/31/70/90/584317090.db2.gz GSCUSXPFKGJXGD-UHFFFAOYSA-N 0 1 246.354 2.442 20 0 BEADMN CC(C)(C)CCCCNC(=O)c1[nH]ncc1F ZINC000900575838 584327322 /nfs/dbraw/zinc/32/73/22/584327322.db2.gz JGBWGKWENMSCBQ-UHFFFAOYSA-N 0 1 241.310 2.495 20 0 BEADMN CC(C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900721821 584345022 /nfs/dbraw/zinc/34/50/22/584345022.db2.gz OMBNMEDLTAGNAF-LBPRGKRZSA-N 0 1 249.358 2.237 20 0 BEADMN C[C@@H]1CCC[C@@H](C)C1NC(=O)c1[nH]ncc1F ZINC000900738361 584347619 /nfs/dbraw/zinc/34/76/19/584347619.db2.gz FQMDYJGRACUTBU-HTQZYQBOSA-N 0 1 239.294 2.103 20 0 BEADMN CC[C@H]1CCCCCN1C(=O)Cc1c[nH]cn1 ZINC000900791605 584352019 /nfs/dbraw/zinc/35/20/19/584352019.db2.gz GVZNSZUWMHAQQP-LBPRGKRZSA-N 0 1 235.331 2.133 20 0 BEADMN C[C@@H](CCC(C)(C)C)NC(=O)Cc1cnc[nH]1 ZINC000900765339 584353749 /nfs/dbraw/zinc/35/37/49/584353749.db2.gz VYCYOOWAQGSQBK-JTQLQIEISA-N 0 1 237.347 2.283 20 0 BEADMN CCC(CC)(CC)NC(=O)c1[nH]ncc1F ZINC000900831091 584354959 /nfs/dbraw/zinc/35/49/59/584354959.db2.gz QIKOZPDZQDAROE-UHFFFAOYSA-N 0 1 227.283 2.247 20 0 BEADMN O=C(Cc1cnc[nH]1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000900836528 584359095 /nfs/dbraw/zinc/35/90/95/584359095.db2.gz ORWGTQOUHPRCCM-QWHCGFSZSA-N 0 1 247.342 2.037 20 0 BEADMN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Cc1cnc[nH]1 ZINC000900953713 584366423 /nfs/dbraw/zinc/36/64/23/584366423.db2.gz FOGGHJCQVVIHGU-ZYHUDNBSSA-N 0 1 249.358 2.283 20 0 BEADMN CC[C@@H](CNc1[nH+]c2ccccc2n1C)C(=O)[O-] ZINC000900976840 584370099 /nfs/dbraw/zinc/37/00/99/584370099.db2.gz QIYLUWSDGNVLAK-VIFPVBQESA-N 0 1 247.298 2.096 20 0 BEADMN Cc1nc(CNC(=O)C=CC(C)(C)C)[nH]c1C ZINC000900997980 584375143 /nfs/dbraw/zinc/37/51/43/584375143.db2.gz QDMBYLYGLGBWNN-SREVYHEPSA-N 0 1 235.331 2.245 20 0 BEADMN CC(C)C(NC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC000901139181 584390106 /nfs/dbraw/zinc/39/01/06/584390106.db2.gz OTUDJZBFPKIHQS-UHFFFAOYSA-N 0 1 240.391 2.268 20 0 BEADMN CC(C)C(NC(=O)CN(C)C1CCC1)C(C)C ZINC000901139181 584390107 /nfs/dbraw/zinc/39/01/07/584390107.db2.gz OTUDJZBFPKIHQS-UHFFFAOYSA-N 0 1 240.391 2.268 20 0 BEADMN CCN1C[C@H](C)N(C(=O)/C=C(/C)Cl)C[C@@H]1C ZINC000901267856 584418551 /nfs/dbraw/zinc/41/85/51/584418551.db2.gz BRCWSBUFWSFFKE-PNEDHVDMSA-N 0 1 244.766 2.070 20 0 BEADMN c1c(CN2CCCC2)onc1[C@H]1CCCO1 ZINC000901394006 584437926 /nfs/dbraw/zinc/43/79/26/584437926.db2.gz FETHCPOHKYMVMW-GFCCVEGCSA-N 0 1 222.288 2.122 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@@H]1C(C)=CCC[C@@H]1C ZINC000901426267 584442454 /nfs/dbraw/zinc/44/24/54/584442454.db2.gz FYDZZARTWBENGX-NWDGAFQWSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@H+](CC(=O)[O-])C[C@H]1C(C)=CCC[C@H]1C ZINC000901426266 584442548 /nfs/dbraw/zinc/44/25/48/584442548.db2.gz FYDZZARTWBENGX-NEPJUHHUSA-N 0 1 225.332 2.385 20 0 BEADMN CC[N@@H+](CC(=O)[O-])Cc1cc2ccccc2n1C ZINC000901426564 584442648 /nfs/dbraw/zinc/44/26/48/584442648.db2.gz LNRLAKNLWXCCIF-UHFFFAOYSA-N 0 1 246.310 2.085 20 0 BEADMN CCCCN1C(=O)N=NC1S[C@@H](C)OCC ZINC000901402579 584443234 /nfs/dbraw/zinc/44/32/34/584443234.db2.gz NDAJPOCKZVUWJJ-QMMMGPOBSA-N 0 1 245.348 2.258 20 0 BEADMN C[C@H](CSC(C)(C)C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000901453527 584443516 /nfs/dbraw/zinc/44/35/16/584443516.db2.gz OLZPQHUTVCYNKR-NXEZZACHSA-N 0 1 245.388 2.456 20 0 BEADMN COC/C(C)=C/CSc1nc(C2CC2)n[nH]1 ZINC000901445307 584446897 /nfs/dbraw/zinc/44/68/97/584446897.db2.gz AACZLHDWIFKZMQ-VMPITWQZSA-N 0 1 239.344 2.367 20 0 BEADMN COC/C(C)=C/CSc1n[nH]c(C2CC2)n1 ZINC000901445307 584446898 /nfs/dbraw/zinc/44/68/98/584446898.db2.gz AACZLHDWIFKZMQ-VMPITWQZSA-N 0 1 239.344 2.367 20 0 BEADMN Cc1scc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1C ZINC000901454904 584449717 /nfs/dbraw/zinc/44/97/17/584449717.db2.gz VXHAKYYYAUNAOK-LLVKDONJSA-N 0 1 239.340 2.414 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000901491357 584452800 /nfs/dbraw/zinc/45/28/00/584452800.db2.gz TZFXNMJEMYGARP-GFCCVEGCSA-N 0 1 244.294 2.074 20 0 BEADMN Cc1cc(C)nc(CSc2c[nH]nn2)c1 ZINC000901509450 584456775 /nfs/dbraw/zinc/45/67/75/584456775.db2.gz URUKZATWKCKNNL-UHFFFAOYSA-N 0 1 220.301 2.109 20 0 BEADMN CSC(C)(C)CC[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000901520315 584458150 /nfs/dbraw/zinc/45/81/50/584458150.db2.gz WAHXWVVLOFOGOP-LLVKDONJSA-N 0 1 249.351 2.017 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](CC2CCCCCC2)C1 ZINC000901516606 584461753 /nfs/dbraw/zinc/46/17/53/584461753.db2.gz UNDPIVUPYJHDFG-CYBMUJFWSA-N 0 1 243.322 2.455 20 0 BEADMN C[C@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000901597091 584467801 /nfs/dbraw/zinc/46/78/01/584467801.db2.gz FWBTWRULCOWQRX-SNVBAGLBSA-N 0 1 246.310 2.320 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1cc2cccnc2o1 ZINC000901605706 584468696 /nfs/dbraw/zinc/46/86/96/584468696.db2.gz RPSIIPATVFFUCI-UHFFFAOYSA-N 0 1 248.282 2.124 20 0 BEADMN CC[N@@H+](CCC(=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC000901604816 584468971 /nfs/dbraw/zinc/46/89/71/584468971.db2.gz CJHRORAULMBCOF-UHFFFAOYSA-N 0 1 246.310 2.465 20 0 BEADMN CO[C@H](C)C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000901837519 584499881 /nfs/dbraw/zinc/49/98/81/584499881.db2.gz CLRPNXMKAFOMPW-LLVKDONJSA-N 0 1 245.363 2.090 20 0 BEADMN CC1(C[N@H+]2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)CC1 ZINC000901909348 584505112 /nfs/dbraw/zinc/50/51/12/584505112.db2.gz BQSKJUIMVBWYTD-ZDUSSCGKSA-N 0 1 241.306 2.065 20 0 BEADMN Cc1scc(C[N@@H+](CC(=O)[O-])C2CC2)c1C ZINC000901971546 584509120 /nfs/dbraw/zinc/50/91/20/584509120.db2.gz WCUBEIWUOVITKP-UHFFFAOYSA-N 0 1 239.340 2.414 20 0 BEADMN O=C([O-])CC[N@@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000901971869 584509130 /nfs/dbraw/zinc/50/91/30/584509130.db2.gz NTKIBTQEQQBEAP-UHFFFAOYSA-N 0 1 243.690 2.372 20 0 BEADMN O=C([O-])C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000901975548 584509433 /nfs/dbraw/zinc/50/94/33/584509433.db2.gz QUVMJIDGCLMWEZ-OWOJBTEDSA-N 0 1 249.285 2.388 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](OC)[C@@H](C)CC ZINC000901986268 584510301 /nfs/dbraw/zinc/51/03/01/584510301.db2.gz VJFKVWGHWFZVDG-QJPTWQEYSA-N 0 1 245.363 2.233 20 0 BEADMN C[C@@H](C[N@@H+](Cc1ccccc1O)C1CC1)C(=O)[O-] ZINC000901992482 584510338 /nfs/dbraw/zinc/51/03/38/584510338.db2.gz CSLSRFOBVOULMS-JTQLQIEISA-N 0 1 249.310 2.077 20 0 BEADMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@H](OC)[C@@H](C)CC ZINC000901986271 584510392 /nfs/dbraw/zinc/51/03/92/584510392.db2.gz VJFKVWGHWFZVDG-TUAOUCFPSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@H](C)[C@@H](C[N@@H+](CCC(=O)[O-])C(C)C)OC ZINC000901979915 584510871 /nfs/dbraw/zinc/51/08/71/584510871.db2.gz FKDRXWJLUCNOFA-NWDGAFQWSA-N 0 1 245.363 2.233 20 0 BEADMN CC(C)[N@@H+](CCC(=O)[O-])CC1CCSCC1 ZINC000901979427 584510929 /nfs/dbraw/zinc/51/09/29/584510929.db2.gz WDEXSMDNSKVZKJ-UHFFFAOYSA-N 0 1 245.388 2.315 20 0 BEADMN CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])s1 ZINC000901979471 584511250 /nfs/dbraw/zinc/51/12/50/584511250.db2.gz ITORUJUTMYZGET-SSDOTTSWSA-N 0 1 245.369 2.375 20 0 BEADMN Cc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000901994964 584511288 /nfs/dbraw/zinc/51/12/88/584511288.db2.gz WGKIVKWDIQQECW-VIFPVBQESA-N 0 1 237.299 2.273 20 0 BEADMN Cc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000901981102 584511641 /nfs/dbraw/zinc/51/16/41/584511641.db2.gz XGXVXZZREKHIJZ-JTQLQIEISA-N 0 1 246.310 2.381 20 0 BEADMN C/C(=C\c1ccccc1)C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901980708 584512038 /nfs/dbraw/zinc/51/20/38/584512038.db2.gz XAYGLVLJYQIBJE-LMMOQWNQSA-N 0 1 233.311 2.495 20 0 BEADMN CC[C@](C)(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])OC ZINC000902020185 584514456 /nfs/dbraw/zinc/51/44/56/584514456.db2.gz LJNGBMOCAMUZTI-WCQYABFASA-N 0 1 245.363 2.233 20 0 BEADMN O=C([O-])[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000902038844 584515501 /nfs/dbraw/zinc/51/55/01/584515501.db2.gz DOWQZWXANYADJM-RYUDHWBXSA-N 0 1 239.315 2.008 20 0 BEADMN CCCOC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000859010205 588990628 /nfs/dbraw/zinc/99/06/28/588990628.db2.gz CYHBPUYESDNVQI-NEPJUHHUSA-N 0 1 242.363 2.338 20 0 BEADMN CC[C@H]1CCCN1CN1Cc2ccccc2C1=O ZINC000902109836 584524280 /nfs/dbraw/zinc/52/42/80/584524280.db2.gz OZSHTAVTYLIDQI-ZDUSSCGKSA-N 0 1 244.338 2.474 20 0 BEADMN CCC[N@@H+](C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902098815 584525200 /nfs/dbraw/zinc/52/52/00/584525200.db2.gz ROIRJPKQXKLWFT-SREVYHEPSA-N 0 1 223.272 2.219 20 0 BEADMN CCc1onc(C)c1CNc1nccn1CC ZINC000902114642 584527242 /nfs/dbraw/zinc/52/72/42/584527242.db2.gz QTTNVXUCPHUVIA-UHFFFAOYSA-N 0 1 234.303 2.374 20 0 BEADMN CCOc1ccc(CNc2nccn2C)o1 ZINC000902116652 584527914 /nfs/dbraw/zinc/52/79/14/584527914.db2.gz SKFBPBFWSCMPCZ-UHFFFAOYSA-N 0 1 221.260 2.024 20 0 BEADMN CCC[C@@]1(C)CCCN(CN2CCOC2=O)C1 ZINC000902165765 584533384 /nfs/dbraw/zinc/53/33/84/584533384.db2.gz FFKZMKRUOGOVOD-ZDUSSCGKSA-N 0 1 240.347 2.298 20 0 BEADMN C[C@@H]1CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902240208 584543705 /nfs/dbraw/zinc/54/37/05/584543705.db2.gz OAYCYJRIPIRAGQ-UMCURTJPSA-N 0 1 235.283 2.219 20 0 BEADMN CCN1CCN(C(=O)OCCC(C)C)C[C@H]1C ZINC000859079390 588998516 /nfs/dbraw/zinc/99/85/16/588998516.db2.gz SBBXMOCZAVWZBF-GFCCVEGCSA-N 0 1 242.363 2.195 20 0 BEADMN CCCOC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000859086969 588999213 /nfs/dbraw/zinc/99/92/13/588999213.db2.gz RVRHRRCTSPPVHL-QMMMGPOBSA-N 0 1 240.307 2.125 20 0 BEADMN C[N@H+](Cc1cccc(C(=O)[O-])n1)C[C@@H]1CC1(C)C ZINC000902452004 584607326 /nfs/dbraw/zinc/60/73/26/584607326.db2.gz GGZCWRIHTIXTHC-JTQLQIEISA-N 0 1 248.326 2.258 20 0 BEADMN CN(Cc1ccnc(F)c1)C[C@@H]1CCCCO1 ZINC000859089616 588999888 /nfs/dbraw/zinc/99/98/88/588999888.db2.gz SFORWKORYSJILQ-LBPRGKRZSA-N 0 1 238.306 2.222 20 0 BEADMN CC(C)CCOC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000859091828 589000201 /nfs/dbraw/zinc/00/02/01/589000201.db2.gz ZWVGMTPRUJUNKV-RYUDHWBXSA-N 0 1 242.363 2.194 20 0 BEADMN C[N@@H+](CCC(C)(C)C(=O)[O-])CC1=CCSC1 ZINC000902482711 584624026 /nfs/dbraw/zinc/62/40/26/584624026.db2.gz BLZJDEFZPNCYAG-UHFFFAOYSA-N 0 1 243.372 2.092 20 0 BEADMN Cc1cn[nH]c1CSC[C@@H]1C[C@@]12CCOC2 ZINC000902541401 584628802 /nfs/dbraw/zinc/62/88/02/584628802.db2.gz IXYCVQPWSZTMSI-CMPLNLGQSA-N 0 1 238.356 2.378 20 0 BEADMN COCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721360 584659803 /nfs/dbraw/zinc/65/98/03/584659803.db2.gz YWECNDKSLQNWAD-MRVPVSSYSA-N 0 1 248.248 2.397 20 0 BEADMN Cc1ccc(NC(=O)NC[C@H]2CCN2C)c(C)c1 ZINC000902932546 584699186 /nfs/dbraw/zinc/69/91/86/584699186.db2.gz DTTRJIYIQSYEID-GFCCVEGCSA-N 0 1 247.342 2.129 20 0 BEADMN F[C@@H]1CCCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000902991333 584709940 /nfs/dbraw/zinc/70/99/40/584709940.db2.gz ORSJTAITGJFJPK-AGIUHOORSA-N 0 1 227.323 2.378 20 0 BEADMN F[C@H]1CCCN(CCc2ccncc2)C1 ZINC000902996169 584713939 /nfs/dbraw/zinc/71/39/39/584713939.db2.gz QQHHAFGCTBQFJF-LBPRGKRZSA-N 0 1 208.280 2.058 20 0 BEADMN CC(F)(F)CN[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902999381 584715053 /nfs/dbraw/zinc/71/50/53/584715053.db2.gz BQRUQZXRTBLROO-LADJIXMOSA-N 0 1 231.286 2.045 20 0 BEADMN CC(C)CC1(N[C@@H](C)c2cn(C)nn2)CC1 ZINC000903056283 584722313 /nfs/dbraw/zinc/72/23/13/584722313.db2.gz KVKSABUOVBMPTN-JTQLQIEISA-N 0 1 222.336 2.044 20 0 BEADMN C[C@H](NCC[C@@H]1CCCC[C@@H]1O)c1ncco1 ZINC000903262028 584740713 /nfs/dbraw/zinc/74/07/13/584740713.db2.gz BLORPZRIOXKVJH-SRVKXCTJSA-N 0 1 238.331 2.266 20 0 BEADMN C[C@@H]1CC[C@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903324244 584747541 /nfs/dbraw/zinc/74/75/41/584747541.db2.gz CXGPOTIYFLYYGY-JLLWLGSASA-N 0 1 217.316 2.316 20 0 BEADMN CCCCC1(N[C@H](C)c2cn(C)nn2)CC1 ZINC000903313205 584748640 /nfs/dbraw/zinc/74/86/40/584748640.db2.gz KTERQFYXMXMDJU-SNVBAGLBSA-N 0 1 222.336 2.189 20 0 BEADMN CCCCC1(N[C@@H](C)c2cnn(C)n2)CC1 ZINC000903313190 584748648 /nfs/dbraw/zinc/74/86/48/584748648.db2.gz KFLNLIHCXJBDNR-JTQLQIEISA-N 0 1 222.336 2.189 20 0 BEADMN C[C@@H]1C[C@@H](N[C@H](c2ncccn2)C2CC2)CCO1 ZINC000903327185 584753590 /nfs/dbraw/zinc/75/35/90/584753590.db2.gz QPWAHCOHPJKRBV-WXHSDQCUSA-N 0 1 247.342 2.085 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H](c2ncccn2)C2CC2)CCO1 ZINC000903327183 584753664 /nfs/dbraw/zinc/75/36/64/584753664.db2.gz QPWAHCOHPJKRBV-RAIGVLPGSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)C(C)(C)O ZINC000903391067 584756092 /nfs/dbraw/zinc/75/60/92/584756092.db2.gz PVVOOSAYPVJJJQ-WPRPVWTQSA-N 0 1 238.331 2.109 20 0 BEADMN C[C@@H](NC[C@]12C[C@H]1COC21CCC1)c1ncco1 ZINC000903369082 584756271 /nfs/dbraw/zinc/75/62/71/584756271.db2.gz YNYSEEZDNMXMRT-NTZNESFSSA-N 0 1 248.326 2.284 20 0 BEADMN C[C@@H](N[C@H]1CCOC12CCCC2)c1ccn(C)n1 ZINC000903389296 584757820 /nfs/dbraw/zinc/75/78/20/584757820.db2.gz OTSLKBUFEMZBBS-YPMHNXCESA-N 0 1 249.358 2.172 20 0 BEADMN Cc1cc([C@H](C)N[C@@H]2COC[C@H]2C2CC2)no1 ZINC000903434703 584762330 /nfs/dbraw/zinc/76/23/30/584762330.db2.gz AJQWTDAOXLTUNL-XHVZSJERSA-N 0 1 236.315 2.059 20 0 BEADMN Cn1ncc2c1CCC[C@@H]2NC/C=C/Cl ZINC000903443568 584768953 /nfs/dbraw/zinc/76/89/53/584768953.db2.gz IKEFSFVIWOMRKX-YVGDHZEHSA-N 0 1 225.723 2.140 20 0 BEADMN Cn1cc2c(n1)CCC[C@@H]2NC/C=C\Cl ZINC000903444628 584769749 /nfs/dbraw/zinc/76/97/49/584769749.db2.gz PQNFVVYQTKAYBR-NWPZZWLHSA-N 0 1 225.723 2.140 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CF)C1 ZINC000903607135 584784596 /nfs/dbraw/zinc/78/45/96/584784596.db2.gz HOEUUXNBXALVBW-DCAQKATOSA-N 0 1 231.311 2.167 20 0 BEADMN CC[C@@H]1C[C@H]1C[N@@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000903608206 584785050 /nfs/dbraw/zinc/78/50/50/584785050.db2.gz HLHZQENQDKXELR-AXFHLTTASA-N 0 1 225.332 2.360 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCCOC(C)C ZINC000903608872 584785127 /nfs/dbraw/zinc/78/51/27/584785127.db2.gz OLHKGXQPOHDBLT-NEPJUHHUSA-N 0 1 245.363 2.233 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000903594084 584785689 /nfs/dbraw/zinc/78/56/89/584785689.db2.gz CLYXTUAYZSAWNJ-MXWKQRLJSA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCS[C@H](CC)C1 ZINC000903594083 584785771 /nfs/dbraw/zinc/78/57/71/584785771.db2.gz CLYXTUAYZSAWNJ-HBNTYKKESA-N 0 1 245.388 2.313 20 0 BEADMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000903596460 584786123 /nfs/dbraw/zinc/78/61/23/584786123.db2.gz UXFPXUZHEOMTLA-KOLCDFICSA-N 0 1 225.288 2.211 20 0 BEADMN CCC(F)(F)C[N@@H+](CCC(=O)[O-])CC(C)C ZINC000903595839 584786336 /nfs/dbraw/zinc/78/63/36/584786336.db2.gz JBJKFYZZKZGNEQ-UHFFFAOYSA-N 0 1 237.290 2.464 20 0 BEADMN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1CC1CCCCC1 ZINC000903615995 584786793 /nfs/dbraw/zinc/78/67/93/584786793.db2.gz BDMXPJVDILNFES-QWRGUYRKSA-N 0 1 229.295 2.064 20 0 BEADMN CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629393 584787713 /nfs/dbraw/zinc/78/77/13/584787713.db2.gz DSVJRKKJSLSRFL-XLMCQVRKSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@@H]1C[N@@H+](CCC2(C(=O)[O-])CCC2)CCS1 ZINC000903695554 584789483 /nfs/dbraw/zinc/78/94/83/584789483.db2.gz CBBAWEOKQNBRTM-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1CF ZINC000903693997 584789742 /nfs/dbraw/zinc/78/97/42/584789742.db2.gz UXTUTOXXVKJMFW-UHFFFAOYSA-N 0 1 225.263 2.063 20 0 BEADMN CC1(C)[C@@H]2C[N@H+](CCC3(C(=O)[O-])CCC3)C[C@@H]21 ZINC000903696452 584790008 /nfs/dbraw/zinc/79/00/08/584790008.db2.gz XBLFJCJMTBRYPA-PHIMTYICSA-N 0 1 237.343 2.219 20 0 BEADMN C[C@@H]1CSCC[N@H+]1CCC1(C(=O)[O-])CCC1 ZINC000903696443 584790014 /nfs/dbraw/zinc/79/00/14/584790014.db2.gz WUQOXZVPABSWBK-SNVBAGLBSA-N 0 1 243.372 2.069 20 0 BEADMN CC(C)C[N@@H+](C)CCC1(C(=O)[O-])CCC1 ZINC000903697426 584790093 /nfs/dbraw/zinc/79/00/93/584790093.db2.gz URRBZPXNEARMNT-UHFFFAOYSA-N 0 1 213.321 2.219 20 0 BEADMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1CF ZINC000903698053 584790177 /nfs/dbraw/zinc/79/01/77/584790177.db2.gz QPHCWEGCXSTBTA-UHFFFAOYSA-N 0 1 239.290 2.453 20 0 BEADMN CC1CC(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000903703159 584790460 /nfs/dbraw/zinc/79/04/60/584790460.db2.gz TZNMFPINRFHATQ-POSLAHMBSA-N 0 1 225.332 2.075 20 0 BEADMN O=C([O-])C1(CC[N@@H+]2CCCC(F)(F)C2)CCC1 ZINC000903702814 584790654 /nfs/dbraw/zinc/79/06/54/584790654.db2.gz IXYKJGNABGOSPH-UHFFFAOYSA-N 0 1 247.285 2.363 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCCC(F)(F)C2)CCC1 ZINC000903702814 584790655 /nfs/dbraw/zinc/79/06/55/584790655.db2.gz IXYKJGNABGOSPH-UHFFFAOYSA-N 0 1 247.285 2.363 20 0 BEADMN CC[N@@H+](Cc1ccccc1CF)[C@@H](C)C(=O)[O-] ZINC000903703206 584790780 /nfs/dbraw/zinc/79/07/80/584790780.db2.gz VHMORPLOCZHLAO-JTQLQIEISA-N 0 1 239.290 2.451 20 0 BEADMN O=C([O-])C1(CC[N@H+]2CCC[C@H](CF)C2)CCC1 ZINC000903708266 584791317 /nfs/dbraw/zinc/79/13/17/584791317.db2.gz ZQWBOMVUQIUEAL-LLVKDONJSA-N 0 1 243.322 2.313 20 0 BEADMN Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C2CC2)o1 ZINC000903887568 584812814 /nfs/dbraw/zinc/81/28/14/584812814.db2.gz WAZVVVMJRKIRQQ-GXFFZTMASA-N 0 1 249.310 2.273 20 0 BEADMN CC(C)[N@@H+](C[C@@H]1C[C@H]1C(=O)[O-])C1CCCC1 ZINC000903886256 584819293 /nfs/dbraw/zinc/81/92/93/584819293.db2.gz CEKANJUAIXILJE-CMPLNLGQSA-N 0 1 225.332 2.360 20 0 BEADMN CC(C)C[N@H+](CC(=O)[O-])CC1CC(C)C1 ZINC000903896084 584819527 /nfs/dbraw/zinc/81/95/27/584819527.db2.gz OHGCTVAPGOXWIO-UHFFFAOYSA-N 0 1 213.321 2.075 20 0 BEADMN C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903894258 584819717 /nfs/dbraw/zinc/81/97/17/584819717.db2.gz RQEGUJMRZTWALC-WISYIIOYSA-N 0 1 225.332 2.218 20 0 BEADMN CCSCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903897584 584819800 /nfs/dbraw/zinc/81/98/00/584819800.db2.gz IPZBFVZDPAOGFA-GARJFASQSA-N 0 1 245.388 2.171 20 0 BEADMN C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC000903896234 584819859 /nfs/dbraw/zinc/81/98/59/584819859.db2.gz QKHQLTUMVPTNLX-GFQSEFKGSA-N 0 1 237.343 2.219 20 0 BEADMN CC1CC(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])C1 ZINC000903902343 584820198 /nfs/dbraw/zinc/82/01/98/584820198.db2.gz YPWZLCCHGORRLD-FQLQODGNSA-N 0 1 237.343 2.218 20 0 BEADMN C[C@H](C[N@@H+](CC1CC(C)C1)C1CC1)C(=O)[O-] ZINC000903901637 584820427 /nfs/dbraw/zinc/82/04/27/584820427.db2.gz MTHAICVBAYWHLA-HSOILSAZSA-N 0 1 225.332 2.218 20 0 BEADMN CC1CC(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)C1 ZINC000903901778 584820701 /nfs/dbraw/zinc/82/07/01/584820701.db2.gz PPHNQLFEFDFDSQ-XIVSLSHWSA-N 0 1 225.332 2.219 20 0 BEADMN CC1CC(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])C1 ZINC000903903136 584821321 /nfs/dbraw/zinc/82/13/21/584821321.db2.gz AIXSJJSPELRYND-YYJSSNLHSA-N 0 1 225.332 2.218 20 0 BEADMN C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000903911677 584822490 /nfs/dbraw/zinc/82/24/90/584822490.db2.gz LRNTVOQVMCBXSI-QXNLEOBOSA-N 0 1 237.343 2.385 20 0 BEADMN O=C([O-])[C@]12C[C@H]1CCC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903934535 584825436 /nfs/dbraw/zinc/82/54/36/584825436.db2.gz BGZDYMPUEJOQLH-CXTNEJHOSA-N 0 1 249.354 2.362 20 0 BEADMN CC[C@@H](C)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000903938248 584826429 /nfs/dbraw/zinc/82/64/29/584826429.db2.gz HNNAQDNQKVTGMW-VWYCJHECSA-N 0 1 213.321 2.218 20 0 BEADMN CC(C)CCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936676 584826553 /nfs/dbraw/zinc/82/65/53/584826553.db2.gz QZDRQAOSIUUEMB-YPMHNXCESA-N 0 1 225.332 2.362 20 0 BEADMN CC(C)C[N@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903948115 584830018 /nfs/dbraw/zinc/83/00/18/584830018.db2.gz CDZPUTNUTSDMCN-QCNOEVLYSA-N 0 1 227.348 2.462 20 0 BEADMN CN[C@@H](CC(C)C)c1nc(C2(C)CC2)no1 ZINC000904125606 584842770 /nfs/dbraw/zinc/84/27/70/584842770.db2.gz ZZWXYOFWOJLBNS-VIFPVBQESA-N 0 1 223.320 2.428 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)[C@H](C)C1 ZINC000874472018 584882734 /nfs/dbraw/zinc/88/27/34/584882734.db2.gz UGWWZJPSTKABOU-UPJWGTAASA-N 0 1 238.375 2.023 20 0 BEADMN COc1cnc(F)c(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000876758474 584886852 /nfs/dbraw/zinc/88/68/52/584886852.db2.gz JKXNKFJUCMHNNY-ZJUUUORDSA-N 0 1 238.306 2.460 20 0 BEADMN C[S@@](=O)CCN1CC=C(C(C)(C)C)CC1 ZINC000828505497 584903552 /nfs/dbraw/zinc/90/35/52/584903552.db2.gz SYQYGLDLADVQEL-OAHLLOKOSA-N 0 1 229.389 2.043 20 0 BEADMN Cc1cccc2nc(CN3CC[C@@H]4C[C@@H]43)cn21 ZINC000761084371 584909077 /nfs/dbraw/zinc/90/90/77/584909077.db2.gz LROAWBCUEQUBQK-YPMHNXCESA-N 0 1 227.311 2.237 20 0 BEADMN O=C(NCCCc1cccc(F)c1)C(F)(F)F ZINC000731650069 584927748 /nfs/dbraw/zinc/92/77/48/584927748.db2.gz ZJIHDAMUHRCINU-UHFFFAOYSA-N 0 1 249.207 2.437 20 0 BEADMN CC[C@@H](C(=O)OC[C@H](C)SC)N(CC)CC ZINC000835685070 584929050 /nfs/dbraw/zinc/92/90/50/584929050.db2.gz IXJPQJNHRAPFHV-QWRGUYRKSA-N 0 1 247.404 2.402 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CCCCCCC1 ZINC000731865807 584930035 /nfs/dbraw/zinc/93/00/35/584930035.db2.gz JBQSPEDOKAJLNG-ZDUSSCGKSA-N 0 1 238.375 2.263 20 0 BEADMN CC(C)n1cc([C@@H](C)NC(=O)C(F)(F)F)cn1 ZINC000732800149 584941258 /nfs/dbraw/zinc/94/12/58/584941258.db2.gz HZZMGPPCZIBZBM-SSDOTTSWSA-N 0 1 249.236 2.204 20 0 BEADMN CC(C)[C@@H]1CC(=O)N(CN2C3CCC2CC3)C1 ZINC000733289602 584946012 /nfs/dbraw/zinc/94/60/12/584946012.db2.gz JOBPUEQTQUYZHS-PNESKVBLSA-N 0 1 236.359 2.075 20 0 BEADMN CC(C)[C@H]1CC(=O)N(CN2CCC[C@H](C)C2)C1 ZINC000733289682 584946147 /nfs/dbraw/zinc/94/61/47/584946147.db2.gz NZZSONUFDYBGDM-STQMWFEESA-N 0 1 238.375 2.180 20 0 BEADMN CCC1(C)CCN(CN2C[C@H](C)CC2=O)CC1 ZINC000733297111 584946478 /nfs/dbraw/zinc/94/64/78/584946478.db2.gz KYIOWSWFRIXZEI-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN O=C(O[C@H]1C=CCCC1)c1[nH]nc2c1CCC2 ZINC000733450655 584949237 /nfs/dbraw/zinc/94/92/37/584949237.db2.gz HSSBHNXFGFGXFG-VIFPVBQESA-N 0 1 232.283 2.164 20 0 BEADMN CCn1ncc(-c2nc3cc(C)c(F)cc3[nH]2)n1 ZINC000840762892 584951290 /nfs/dbraw/zinc/95/12/90/584951290.db2.gz FXFJFBCLTPHHMS-UHFFFAOYSA-N 0 1 245.261 2.289 20 0 BEADMN Cc1nonc1C[N@H+](C)C1CCC(C)CC1 ZINC000733897053 584954660 /nfs/dbraw/zinc/95/46/60/584954660.db2.gz CCQRSTRSAULXSM-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN Cc1nonc1CN(C)C1CCC(C)CC1 ZINC000733897053 584954661 /nfs/dbraw/zinc/95/46/61/584954661.db2.gz CCQRSTRSAULXSM-UHFFFAOYSA-N 0 1 223.320 2.389 20 0 BEADMN C[C@@](O)(CNCc1nccs1)c1ccccc1 ZINC000734004739 584956185 /nfs/dbraw/zinc/95/61/85/584956185.db2.gz FSKIZTMSDVBISJ-CYBMUJFWSA-N 0 1 248.351 2.140 20 0 BEADMN C[C@H](C[N@@H+](C[Si](C)(C)C)C1CC1)C(=O)[O-] ZINC000736584120 585006818 /nfs/dbraw/zinc/00/68/18/585006818.db2.gz PLMCGFPRZSFJNY-SECBINFHSA-N 0 1 229.396 2.049 20 0 BEADMN CC(C)c1cnc(CN[C@H](C)[C@@H]2CCOC2)o1 ZINC000771812699 585007636 /nfs/dbraw/zinc/00/76/36/585007636.db2.gz MJVCPWQBUFXAJR-GHMZBOCLSA-N 0 1 238.331 2.313 20 0 BEADMN CC[C@H]1CCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000755994550 585010014 /nfs/dbraw/zinc/01/00/14/585010014.db2.gz IQZYHFYPCBGYHK-NSHDSACASA-N 0 1 248.326 2.063 20 0 BEADMN C[C@H]1c2ccccc2OCC[N@@H+]1CCCC(=O)[O-] ZINC000736840761 585017006 /nfs/dbraw/zinc/01/70/06/585017006.db2.gz SODDLQIOKYKXAN-NSHDSACASA-N 0 1 249.310 2.307 20 0 BEADMN CC[C@@H](C(=O)[O-])[N@H+]1CCc2c(C)cccc2C1 ZINC000736859520 585018342 /nfs/dbraw/zinc/01/83/42/585018342.db2.gz BSPJUXBZLTWTDO-ZDUSSCGKSA-N 0 1 233.311 2.216 20 0 BEADMN CCCCC(N)=[NH+]OCc1cc(C(=O)[O-])co1 ZINC000736982734 585021571 /nfs/dbraw/zinc/02/15/71/585021571.db2.gz TYWNHCYCCCUQEW-UHFFFAOYSA-N 0 1 240.259 2.166 20 0 BEADMN CCO[C@H]1C[C@H](N[C@H](C)c2nccs2)C1 ZINC000658160057 585026242 /nfs/dbraw/zinc/02/62/42/585026242.db2.gz DEYPGFBDWQXPRM-OPRDCNLKSA-N 0 1 226.345 2.361 20 0 BEADMN CC[C@H](C)OC(=O)Cc1[nH]nc2ccccc21 ZINC000738628723 585049363 /nfs/dbraw/zinc/04/93/63/585049363.db2.gz HPYCEFRCEFRNHK-VIFPVBQESA-N 0 1 232.283 2.447 20 0 BEADMN CCn1ncc(CN(C(C)C)C2CCCC2)n1 ZINC000838793482 585068704 /nfs/dbraw/zinc/06/87/04/585068704.db2.gz NFWXJLAMMRKBMW-UHFFFAOYSA-N 0 1 236.363 2.451 20 0 BEADMN CCn1ncc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000838805191 585069287 /nfs/dbraw/zinc/06/92/87/585069287.db2.gz HDJBEHSUFZLNCZ-YPMHNXCESA-N 0 1 234.347 2.063 20 0 BEADMN CCn1ncc(CN2CCCCCCC2)n1 ZINC000838782208 585069651 /nfs/dbraw/zinc/06/96/51/585069651.db2.gz IHVPXWXEVIWYSN-UHFFFAOYSA-N 0 1 222.336 2.064 20 0 BEADMN CCN(Cc1cnn(CC)n1)C1CCCCC1 ZINC000838782133 585069671 /nfs/dbraw/zinc/06/96/71/585069671.db2.gz YKIGMOCAPKKLKV-UHFFFAOYSA-N 0 1 236.363 2.453 20 0 BEADMN CCn1ncc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000838810502 585070927 /nfs/dbraw/zinc/07/09/27/585070927.db2.gz NZDPPSWSDJAYEX-CYBMUJFWSA-N 0 1 234.347 2.063 20 0 BEADMN C[C@H](CC(=O)OCc1c[nH]nn1)CC(C)(C)C ZINC000838903533 585077190 /nfs/dbraw/zinc/07/71/90/585077190.db2.gz YDCNYJVDIOVCEF-SECBINFHSA-N 0 1 239.319 2.310 20 0 BEADMN CC(C)c1ccc(C(=O)OCc2c[nH]nn2)cc1 ZINC000838904027 585077372 /nfs/dbraw/zinc/07/73/72/585077372.db2.gz FFCUIOWOZSVTIS-UHFFFAOYSA-N 0 1 245.282 2.285 20 0 BEADMN CCC[C@@H](CC(C)C)C(=O)OCc1c[nH]nn1 ZINC000838897655 585079240 /nfs/dbraw/zinc/07/92/40/585079240.db2.gz PVHWXPMPTDPZRA-JTQLQIEISA-N 0 1 239.319 2.310 20 0 BEADMN CCCCC[C@H](CC)C(=O)OCc1c[nH]nn1 ZINC000838899540 585079938 /nfs/dbraw/zinc/07/99/38/585079938.db2.gz XKFUOROCNKMHHL-JTQLQIEISA-N 0 1 239.319 2.454 20 0 BEADMN O=C(OCc1c[nH]nn1)C(C1CCC1)C1CCC1 ZINC000838900001 585080050 /nfs/dbraw/zinc/08/00/50/585080050.db2.gz MDIHAEBQJNRQTD-UHFFFAOYSA-N 0 1 249.314 2.064 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1C(=O)OCc1c[nH]nn1 ZINC000838901252 585080257 /nfs/dbraw/zinc/08/02/57/585080257.db2.gz WBATZUUWYKPQGG-KOLCDFICSA-N 0 1 237.303 2.064 20 0 BEADMN CCn1ncc(CNCC2(CC(C)C)CC2)n1 ZINC000838982326 585084353 /nfs/dbraw/zinc/08/43/53/585084353.db2.gz XKZGKIRRWZSILQ-UHFFFAOYSA-N 0 1 236.363 2.214 20 0 BEADMN CCn1ncc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000839066746 585089564 /nfs/dbraw/zinc/08/95/64/585089564.db2.gz FCBQGHLJTKOLOP-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CC(C)C1(O)CN([C@@H](C)Cc2ccsc2)C1 ZINC000839133899 585094227 /nfs/dbraw/zinc/09/42/27/585094227.db2.gz XPGTZCJFVKRXIY-NSHDSACASA-N 0 1 239.384 2.382 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)C1CC(C)(C)C1 ZINC000839190940 585097530 /nfs/dbraw/zinc/09/75/30/585097530.db2.gz CXPHLPVEPDJZBM-SNVBAGLBSA-N 0 1 227.348 2.449 20 0 BEADMN C[C@@H]1C[C@@H](C)N(Cn2c3ccccc3oc2=O)C1 ZINC000740860024 585107499 /nfs/dbraw/zinc/10/74/99/585107499.db2.gz OJSLCDALWWVIAS-GHMZBOCLSA-N 0 1 246.310 2.282 20 0 BEADMN C[C@@H]1C[C@@H](C)N(CC(=O)OCc2ccccc2)C1 ZINC000740884264 585108069 /nfs/dbraw/zinc/10/80/69/585108069.db2.gz SWYQAJACCCLJFT-CHWSQXEVSA-N 0 1 247.338 2.460 20 0 BEADMN CC[C@@H](C(=O)OC/C=C/Cl)N(CC)CC ZINC000741032587 585109331 /nfs/dbraw/zinc/10/93/31/585109331.db2.gz KTGRZDJLGVBBAI-JARNTUPDSA-N 0 1 233.739 2.403 20 0 BEADMN Cc1n[nH]c(CN[C@@H]2CCCC[C@H]2F)c1C ZINC000886147140 585109943 /nfs/dbraw/zinc/10/99/43/585109943.db2.gz KNSQXNGFYNSSBV-GHMZBOCLSA-N 0 1 225.311 2.397 20 0 BEADMN Cc1ccc(CCCC(=O)Nc2c[nH]nn2)cc1 ZINC000788159337 585116527 /nfs/dbraw/zinc/11/65/27/585116527.db2.gz WDMVMKDWKLNYSA-UHFFFAOYSA-N 0 1 244.298 2.075 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000741782739 585118618 /nfs/dbraw/zinc/11/86/18/585118618.db2.gz YQHIGURKVHFTNH-WDEREUQCSA-N 0 1 213.321 2.060 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CCC[C@@H]1CC ZINC000741782141 585118820 /nfs/dbraw/zinc/11/88/20/585118820.db2.gz IJKORQSOOSOKMG-MNOVXSKESA-N 0 1 213.321 2.203 20 0 BEADMN CCONC(=O)[C@@H]1CCSc2ccccc21 ZINC000742042434 585121688 /nfs/dbraw/zinc/12/16/88/585121688.db2.gz KNFJFTDKUCWZQI-SNVBAGLBSA-N 0 1 237.324 2.334 20 0 BEADMN COC[C@H](NCc1coc(C2CC2)n1)C(C)C ZINC000742374215 585125511 /nfs/dbraw/zinc/12/55/11/585125511.db2.gz QTHLWFDBJPWGRI-LBPRGKRZSA-N 0 1 238.331 2.313 20 0 BEADMN CC(C)C[C@@H]1CC(=O)N(CN2CC[C@@H](C)C2)C1 ZINC000744433372 585150194 /nfs/dbraw/zinc/15/01/94/585150194.db2.gz HWRSNNMVGRECQV-CHWSQXEVSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@@H](C(=O)OCC1CCC1)N1CCCC1 ZINC000745089751 585156796 /nfs/dbraw/zinc/15/67/96/585156796.db2.gz SWXUBAKNWPLVDF-ZDUSSCGKSA-N 0 1 239.359 2.450 20 0 BEADMN O=C(Nc1ccc2nc[nH]c2c1)C1=CCCCO1 ZINC000746175171 585164575 /nfs/dbraw/zinc/16/45/75/585164575.db2.gz QEQOESDIRVCBMZ-UHFFFAOYSA-N 0 1 243.266 2.196 20 0 BEADMN CN(C)C(=O)c1cccc(CN2CCC2(C)C)c1 ZINC000746462159 585168518 /nfs/dbraw/zinc/16/85/18/585168518.db2.gz LQADUFQDCOCZQQ-UHFFFAOYSA-N 0 1 246.354 2.373 20 0 BEADMN CN(CC1CCCC1)CN1CCSC1=S ZINC000746504551 585169348 /nfs/dbraw/zinc/16/93/48/585169348.db2.gz GJYQWJCNFTZEEN-UHFFFAOYSA-N 0 1 244.429 2.400 20 0 BEADMN Cc1ccccc1[C@@H](CO)NCc1ccoc1 ZINC000747100745 585175052 /nfs/dbraw/zinc/17/50/52/585175052.db2.gz QVXVMYQEFMHZEP-CQSZACIVSA-N 0 1 231.295 2.411 20 0 BEADMN CC(C)CCOC(=O)N(C)Cc1cnc[nH]1 ZINC000859217231 589019835 /nfs/dbraw/zinc/01/98/35/589019835.db2.gz PXVWJINTBJTXIW-UHFFFAOYSA-N 0 1 225.292 2.024 20 0 BEADMN COC(=O)/C(C)=C\CNC1(c2ccccc2)CC1 ZINC000748811644 585196601 /nfs/dbraw/zinc/19/66/01/585196601.db2.gz BVADKWFWGYZHPE-WQLSENKSSA-N 0 1 245.322 2.385 20 0 BEADMN COC(=O)/C(C)=C/CNC1(c2ccccc2)CC1 ZINC000748811645 585196643 /nfs/dbraw/zinc/19/66/43/585196643.db2.gz BVADKWFWGYZHPE-XYOKQWHBSA-N 0 1 245.322 2.385 20 0 BEADMN CN(CN1C(=O)C(C)(C)C1(C)C)C1CCC1 ZINC000749169122 585200269 /nfs/dbraw/zinc/20/02/69/585200269.db2.gz YZZKUZLNIVLMEI-UHFFFAOYSA-N 0 1 224.348 2.075 20 0 BEADMN O=C(Nc1cnoc1)c1scnc1Cl ZINC000749558909 585203763 /nfs/dbraw/zinc/20/37/63/585203763.db2.gz XLCMRPJEBSYZNC-UHFFFAOYSA-N 0 1 229.648 2.037 20 0 BEADMN O=C1[C@H]2CCCCC[C@@H]2N1CN1C2CCC1CC2 ZINC000749935489 585208606 /nfs/dbraw/zinc/20/86/06/585208606.db2.gz AMWBPBYGHMXILD-HOAMVYINSA-N 0 1 248.370 2.362 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)C1 ZINC000749949084 585208728 /nfs/dbraw/zinc/20/87/28/585208728.db2.gz VFBPYKQVNNQBGQ-UPJWGTAASA-N 0 1 236.359 2.077 20 0 BEADMN C[C@@H]1CCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)C1 ZINC000749949068 585208753 /nfs/dbraw/zinc/20/87/53/585208753.db2.gz VFBPYKQVNNQBGQ-AGIUHOORSA-N 0 1 236.359 2.077 20 0 BEADMN CCCCN(C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749941537 585208905 /nfs/dbraw/zinc/20/89/05/585208905.db2.gz QGXINDWGMWCDMM-OLZOCXBDSA-N 0 1 238.375 2.467 20 0 BEADMN CCCCCC[C@@H](C)NC(=O)[C@H](C)N(C)C ZINC000750016237 585209698 /nfs/dbraw/zinc/20/96/98/585209698.db2.gz PUYOZZAOKVIOGJ-NEPJUHHUSA-N 0 1 228.380 2.412 20 0 BEADMN CCC[C@H](C)CCCN1CCOC[C@@H]1CCO ZINC000859217592 589020057 /nfs/dbraw/zinc/02/00/57/589020057.db2.gz RPYQAOQSHURETH-KBPBESRZSA-N 0 1 243.391 2.286 20 0 BEADMN CC[C@](C)(NCc1cnnn1C)c1ccccc1 ZINC000751147710 585224754 /nfs/dbraw/zinc/22/47/54/585224754.db2.gz YILFFUQAKWKHPW-AWEZNQCLSA-N 0 1 244.342 2.230 20 0 BEADMN CC(C)=C(C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000751386138 585229087 /nfs/dbraw/zinc/22/90/87/585229087.db2.gz JFPMBZNVKFFSHQ-CYBMUJFWSA-N 0 1 238.375 2.141 20 0 BEADMN CC(C)=C(C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000751386138 585229088 /nfs/dbraw/zinc/22/90/88/585229088.db2.gz JFPMBZNVKFFSHQ-CYBMUJFWSA-N 0 1 238.375 2.141 20 0 BEADMN C[C@@H]1CN(Cn2c3ccccc3oc2=O)C[C@H]1C ZINC000751929521 585239364 /nfs/dbraw/zinc/23/93/64/585239364.db2.gz QGDNTILVVIOQCU-GHMZBOCLSA-N 0 1 246.310 2.140 20 0 BEADMN CCCCC[C@@H](C)CC(=O)NCCN1CCC1 ZINC000752301327 585244756 /nfs/dbraw/zinc/24/47/56/585244756.db2.gz UXFWZKYRICNKJN-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CC(C)=CC(=O)Nc1cc(N(C)C)ccn1 ZINC000753007003 585252184 /nfs/dbraw/zinc/25/21/84/585252184.db2.gz MRLDAZFPURSLNW-UHFFFAOYSA-N 0 1 219.288 2.052 20 0 BEADMN CC(C)=C(C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000753010176 585252382 /nfs/dbraw/zinc/25/23/82/585252382.db2.gz YJPIEYJTNBYPLE-UHFFFAOYSA-N 0 1 233.315 2.442 20 0 BEADMN C[C@@H](N(C)Cn1cc[nH]c1=S)C1(C)CC1 ZINC000753107657 585253539 /nfs/dbraw/zinc/25/35/39/585253539.db2.gz BLUCVDJXHFZAPF-SECBINFHSA-N 0 1 225.361 2.250 20 0 BEADMN CC(C)(C)C(=O)CCN1CCOC[C@@H]1C1CC1 ZINC000753746521 585267936 /nfs/dbraw/zinc/26/79/36/585267936.db2.gz SNHPQTMWDNKVJW-GFCCVEGCSA-N 0 1 239.359 2.103 20 0 BEADMN C[C@H]1C[N@@H+](CCC(=O)C(C)(C)C)[C@@H](C)CN1C ZINC000753745799 585267942 /nfs/dbraw/zinc/26/79/42/585267942.db2.gz JQFFPAKEFZVWTL-RYUDHWBXSA-N 0 1 240.391 2.016 20 0 BEADMN CC(C)C1CC(N[C@@H](C)c2nnnn2C2CC2)C1 ZINC000754100078 585278421 /nfs/dbraw/zinc/27/84/21/585278421.db2.gz HCLGIXPIUSETFW-WHXUTIOJSA-N 0 1 249.362 2.093 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000754198901 585280181 /nfs/dbraw/zinc/28/01/81/585280181.db2.gz ZJMFBVVBZIHZMA-UKVQZPPCSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1cc(CC(=O)NC[C@H](C)C(C)(C)C)[nH]n1 ZINC000755373832 585298557 /nfs/dbraw/zinc/29/85/57/585298557.db2.gz BQUJPULAHBONPI-VIFPVBQESA-N 0 1 237.347 2.059 20 0 BEADMN CC(C)[C@@H]1CCN(CN2CCSC2=O)C1 ZINC000755926802 585310680 /nfs/dbraw/zinc/31/06/80/585310680.db2.gz YSIGMMPPSIWCTC-SNVBAGLBSA-N 0 1 228.361 2.091 20 0 BEADMN CC[C@@H]1CC(=O)N(CN2CCC(C)(C)CC2)C1 ZINC000755925299 585310835 /nfs/dbraw/zinc/31/08/35/585310835.db2.gz ZLAPKTHCXFEFKO-GFCCVEGCSA-N 0 1 238.375 2.324 20 0 BEADMN CCC/C(C)=C/C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000756151489 585315314 /nfs/dbraw/zinc/31/53/14/585315314.db2.gz XZGBXEADPUPMKG-YHDXHSTISA-N 0 1 238.375 2.284 20 0 BEADMN CCC/C(C)=C\C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000756151482 585315365 /nfs/dbraw/zinc/31/53/65/585315365.db2.gz XZGBXEADPUPMKG-FUTHCOOYSA-N 0 1 238.375 2.284 20 0 BEADMN CCCCCCOC(=O)Cc1cc(C)[nH]n1 ZINC000756239162 585315777 /nfs/dbraw/zinc/31/57/77/585315777.db2.gz GPGJMURLBVAOPP-UHFFFAOYSA-N 0 1 224.304 2.384 20 0 BEADMN Cc1cc(CC(=O)OCCC(C)(C)C)n[nH]1 ZINC000756297330 585317141 /nfs/dbraw/zinc/31/71/41/585317141.db2.gz FATFZVVVBALCMY-UHFFFAOYSA-N 0 1 224.304 2.240 20 0 BEADMN Cc1ccnc(CN2CC[C@H](c3ccco3)C2)n1 ZINC000756525765 585320783 /nfs/dbraw/zinc/32/07/83/585320783.db2.gz DIQZGGXUEJBWMY-LBPRGKRZSA-N 0 1 243.310 2.368 20 0 BEADMN Cc1nc([C@@H](C)N2CC[C@@H](C(F)(F)F)C2)n[nH]1 ZINC000839534482 585329369 /nfs/dbraw/zinc/32/93/69/585329369.db2.gz STILTFHCQAWSGC-HTRCEHHLSA-N 0 1 248.252 2.058 20 0 BEADMN C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@H]2C[C@H]21 ZINC000839535449 585329516 /nfs/dbraw/zinc/32/95/16/585329516.db2.gz XVAGAIVEPVMGDZ-MBNYWOFBSA-N 0 1 244.338 2.132 20 0 BEADMN CCn1nc(C)c(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000839658606 585333848 /nfs/dbraw/zinc/33/38/48/585333848.db2.gz OODPDOVRHMYTHD-JTQLQIEISA-N 0 1 236.363 2.227 20 0 BEADMN CCN(Cc1occc1C)CC(OC)OC ZINC000839661429 585334373 /nfs/dbraw/zinc/33/43/73/585334373.db2.gz BOQZODPHTCCPDS-UHFFFAOYSA-N 0 1 227.304 2.029 20 0 BEADMN COC(=O)[C@@]1(C)CCCN(C/C=C/Cl)C1 ZINC000839665009 585334558 /nfs/dbraw/zinc/33/45/58/585334558.db2.gz FSEHVBVSNDUTES-MALLOTDXSA-N 0 1 231.723 2.014 20 0 BEADMN Cc1nonc1CN1CC[C@@H](C2CCC2)C1 ZINC000839681552 585337004 /nfs/dbraw/zinc/33/70/04/585337004.db2.gz TWCHZCSPLNPCRD-LLVKDONJSA-N 0 1 221.304 2.000 20 0 BEADMN O=C(OC1CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000757880934 585346299 /nfs/dbraw/zinc/34/62/99/585346299.db2.gz MEIYWMYFUQIHAE-JTQLQIEISA-N 0 1 234.299 2.315 20 0 BEADMN O=C(O[C@@H]1C=CCCC1)[C@H]1CCCc2[nH]ncc21 ZINC000758131600 585350170 /nfs/dbraw/zinc/35/01/70/585350170.db2.gz FIXCVNJIDZSDGT-MNOVXSKESA-N 0 1 246.310 2.482 20 0 BEADMN CCCC(N)=NOCC[C@@H]1CCCCO1 ZINC000758760473 585359656 /nfs/dbraw/zinc/35/96/56/585359656.db2.gz HWXLTTZJWNKHDS-JTQLQIEISA-N 0 1 214.309 2.244 20 0 BEADMN C[C@H]1CC(=O)N(CN2CC[C@@H](C)C(C)(C)C2)C1 ZINC000759000706 585363358 /nfs/dbraw/zinc/36/33/58/585363358.db2.gz REPKSQKDLZEOSC-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN CCN(CCF)Cc1ccc(OC)cc1 ZINC000759326549 585367384 /nfs/dbraw/zinc/36/73/84/585367384.db2.gz GTUBZULVRRZFIC-UHFFFAOYSA-N 0 1 211.280 2.487 20 0 BEADMN Cc1ccc(N2CCCN(CCF)CC2)cc1 ZINC000759326467 585367580 /nfs/dbraw/zinc/36/75/80/585367580.db2.gz GOGBHDIEKHZOHO-UHFFFAOYSA-N 0 1 236.334 2.477 20 0 BEADMN COc1ccccc1[C@H]1CCN(CCF)C1 ZINC000759343159 585369819 /nfs/dbraw/zinc/36/98/19/585369819.db2.gz LVACFYSQARWVTD-NSHDSACASA-N 0 1 223.291 2.454 20 0 BEADMN O[C@@H](C[C@H]1CCCN1CCF)c1ccco1 ZINC000759370099 585371513 /nfs/dbraw/zinc/37/15/13/585371513.db2.gz CPXVZBZROFADAR-MNOVXSKESA-N 0 1 227.279 2.137 20 0 BEADMN C[C@@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)C1CC1 ZINC000760033127 585384512 /nfs/dbraw/zinc/38/45/12/585384512.db2.gz ZHXDNPHCVSEAHL-QMMMGPOBSA-N 0 1 248.330 2.447 20 0 BEADMN C[C@@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)C1CC1 ZINC000760033127 585384513 /nfs/dbraw/zinc/38/45/13/585384513.db2.gz ZHXDNPHCVSEAHL-QMMMGPOBSA-N 0 1 248.330 2.447 20 0 BEADMN CCN(CCC1CC1)Cn1cc[nH]c1=S ZINC000760537048 585393791 /nfs/dbraw/zinc/39/37/91/585393791.db2.gz AGHLQMONQYRHFW-UHFFFAOYSA-N 0 1 225.361 2.251 20 0 BEADMN CCN(CCC1CC1)CN1C(=O)CC12CCC2 ZINC000760538916 585393803 /nfs/dbraw/zinc/39/38/03/585393803.db2.gz PZXFVVISMXXYTE-UHFFFAOYSA-N 0 1 236.359 2.221 20 0 BEADMN CC(C)=C(C)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000760713942 585396071 /nfs/dbraw/zinc/39/60/71/585396071.db2.gz PWPLBNVKRHAMJE-UHFFFAOYSA-N 0 1 230.271 2.253 20 0 BEADMN CCCOC(=O)[C@H](C)N(CC)CCC1CC1 ZINC000760879365 585401191 /nfs/dbraw/zinc/40/11/91/585401191.db2.gz CUABPERHXSTNIS-NSHDSACASA-N 0 1 227.348 2.450 20 0 BEADMN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc[nH]1 ZINC000760961796 585402699 /nfs/dbraw/zinc/40/26/99/585402699.db2.gz RSRMEPDGFKRHCF-YPMHNXCESA-N 0 1 249.358 2.066 20 0 BEADMN FC(F)(F)[C@H]1CCN(Cc2ccncc2)C1 ZINC000761050295 585403983 /nfs/dbraw/zinc/40/39/83/585403983.db2.gz SLLYYNNQNLPNJM-JTQLQIEISA-N 0 1 230.233 2.466 20 0 BEADMN C[C@H]1CN(Cc2ccc(F)c(F)c2)CCN1C ZINC000761074707 585405990 /nfs/dbraw/zinc/40/59/90/585405990.db2.gz FEGVDDQIGFSLOL-JTQLQIEISA-N 0 1 240.297 2.101 20 0 BEADMN C[C@@H]1CN(CCCCC(F)(F)F)CC[N@H+]1C ZINC000761078351 585406472 /nfs/dbraw/zinc/40/64/72/585406472.db2.gz QSPODPNVOICBGG-SNVBAGLBSA-N 0 1 238.297 2.355 20 0 BEADMN COc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1F ZINC000761096095 585408871 /nfs/dbraw/zinc/40/88/71/585408871.db2.gz ROCRYAIVNYNNME-PWSUYJOCSA-N 0 1 221.275 2.429 20 0 BEADMN COCC1(N(C)C[C@H]2CC2(Cl)Cl)CC1 ZINC000761102297 585409598 /nfs/dbraw/zinc/40/95/98/585409598.db2.gz QALDICPTSIDFQV-MRVPVSSYSA-N 0 1 238.158 2.291 20 0 BEADMN CCC[N@@H+](Cc1nc(C)cc(=O)[n-]1)CC(C)C ZINC000761861938 585420876 /nfs/dbraw/zinc/42/08/76/585420876.db2.gz YLMDDHLKAIMLRK-UHFFFAOYSA-N 0 1 237.347 2.359 20 0 BEADMN CCC[N@H+](Cc1nc(C)cc(=O)[n-]1)CC(C)C ZINC000761861938 585420877 /nfs/dbraw/zinc/42/08/77/585420877.db2.gz YLMDDHLKAIMLRK-UHFFFAOYSA-N 0 1 237.347 2.359 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@@H+](CC2CC2)C(C)C)n1 ZINC000761864983 585420933 /nfs/dbraw/zinc/42/09/33/585420933.db2.gz MAYHSMJJKCWFFP-UHFFFAOYSA-N 0 1 235.331 2.111 20 0 BEADMN Cc1cc(=O)[n-]c(C[N@H+](CC2CC2)C(C)C)n1 ZINC000761864983 585420934 /nfs/dbraw/zinc/42/09/34/585420934.db2.gz MAYHSMJJKCWFFP-UHFFFAOYSA-N 0 1 235.331 2.111 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)OCc1n[nH]c(C)n1 ZINC000762079858 585425810 /nfs/dbraw/zinc/42/58/10/585425810.db2.gz GGXXUGISTPOPCF-MRVPVSSYSA-N 0 1 239.319 2.229 20 0 BEADMN CCO[C@H](CN1CCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000859222883 589021884 /nfs/dbraw/zinc/02/18/84/589021884.db2.gz OHJAHRGEESMEBG-CHWSQXEVSA-N 0 1 249.358 2.362 20 0 BEADMN O=C(Nc1cc(Cl)c(O)cc1F)C(F)F ZINC000805254732 585435118 /nfs/dbraw/zinc/43/51/18/585435118.db2.gz DUZFBUZFVKJGBI-UHFFFAOYSA-N 0 1 239.580 2.388 20 0 BEADMN CC/C=C(/C)C(=O)NCCN1CC=C(C)CC1 ZINC000762701761 585435486 /nfs/dbraw/zinc/43/54/86/585435486.db2.gz QNYFQZYMGDGCEQ-ACAGNQJTSA-N 0 1 236.359 2.111 20 0 BEADMN CCC(CC)(CC)SCc1nn[nH]n1 ZINC000762975550 585440530 /nfs/dbraw/zinc/44/05/30/585440530.db2.gz YHTRICBCSVCCMG-UHFFFAOYSA-N 0 1 214.338 2.402 20 0 BEADMN S=c1ncccn1CN1CC[C@H](C2CC2)C1 ZINC000763330753 585446590 /nfs/dbraw/zinc/44/65/90/585446590.db2.gz DMOXBKHEXBCBMO-NSHDSACASA-N 0 1 235.356 2.302 20 0 BEADMN C[C@H]1CCCCN1CC(=O)Nc1ccc(O)cc1 ZINC000763424590 585448223 /nfs/dbraw/zinc/44/82/23/585448223.db2.gz SZRSNLSDLIFIIK-NSHDSACASA-N 0 1 248.326 2.205 20 0 BEADMN Cl/C=C(\Cl)CN1CCN(CC2CC2)CC1 ZINC000763496982 585449018 /nfs/dbraw/zinc/44/90/18/585449018.db2.gz XXMXQNGNSKFBGK-XFFZJAGNSA-N 0 1 249.185 2.333 20 0 BEADMN CC(C)c1cnc(CN[C@@H]2CCOC[C@H]2C)o1 ZINC000763905030 585456737 /nfs/dbraw/zinc/45/67/37/585456737.db2.gz XEDLUGKXCRHFBS-GHMZBOCLSA-N 0 1 238.331 2.313 20 0 BEADMN CCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000763910258 585456783 /nfs/dbraw/zinc/45/67/83/585456783.db2.gz ABQPSIFGVPIFAC-LBPRGKRZSA-N 0 1 247.404 2.076 20 0 BEADMN CCC[C@H](C(=O)OCc1n[nH]c(C)n1)C(C)C ZINC000764687707 585470824 /nfs/dbraw/zinc/47/08/24/585470824.db2.gz YVJOMSCRBOEWKV-JTQLQIEISA-N 0 1 239.319 2.229 20 0 BEADMN C/C=C(\C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000765907672 585493640 /nfs/dbraw/zinc/49/36/40/585493640.db2.gz PVFJDJDQCSDGTJ-RUDMXATFSA-N 0 1 243.310 2.454 20 0 BEADMN CCC/C=C/C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000765934433 585493824 /nfs/dbraw/zinc/49/38/24/585493824.db2.gz DDUWSQQVRPIZRV-TYDXBBDOSA-N 0 1 238.375 2.284 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cncc(F)c2)[nH]n1 ZINC000766004937 585495734 /nfs/dbraw/zinc/49/57/34/585495734.db2.gz UIFZTOZZUJAFFI-VIFPVBQESA-N 0 1 248.305 2.357 20 0 BEADMN CCCCOC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766171987 585498598 /nfs/dbraw/zinc/49/85/98/585498598.db2.gz BOAXTHPJXXAWKJ-UHFFFAOYSA-N 0 1 246.266 2.332 20 0 BEADMN CC(C)=C(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766691902 585505609 /nfs/dbraw/zinc/50/56/09/585505609.db2.gz NMEBWWXWYJADBF-NSHDSACASA-N 0 1 233.315 2.260 20 0 BEADMN CCCC=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766693280 585505645 /nfs/dbraw/zinc/50/56/45/585505645.db2.gz SOORXXZIPVKJHP-LAUIRUGDSA-N 0 1 233.315 2.260 20 0 BEADMN O=C(CCN1CCc2sccc2C1)C1CC1 ZINC000767361261 585517892 /nfs/dbraw/zinc/51/78/92/585517892.db2.gz KYNUBGSYUUNDNL-UHFFFAOYSA-N 0 1 235.352 2.475 20 0 BEADMN Cc1cc(C[C@H](C)NC(=O)C=C2CCCC2)n[nH]1 ZINC000768376560 585537218 /nfs/dbraw/zinc/53/72/18/585537218.db2.gz JOPHKJPYZHAKJS-JTQLQIEISA-N 0 1 247.342 2.266 20 0 BEADMN Cc1cc(C[C@@H](C)NC(=O)C[C@H](C)C2CC2)n[nH]1 ZINC000768378610 585537456 /nfs/dbraw/zinc/53/74/56/585537456.db2.gz UFGAPYPTIUUYFN-VHSXEESVSA-N 0 1 249.358 2.202 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccncc2)[nH]n1 ZINC000768402546 585538194 /nfs/dbraw/zinc/53/81/94/585538194.db2.gz LMYRIUHZJJXBOS-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN CCc1cc(CN[C@@H](C)c2ccncc2)n[nH]1 ZINC000768402546 585538195 /nfs/dbraw/zinc/53/81/95/585538195.db2.gz LMYRIUHZJJXBOS-JTQLQIEISA-N 0 1 230.315 2.218 20 0 BEADMN C[C@@H]1CN(C(=O)C=C2CCCC2)[C@@H](C)CN1C ZINC000768845987 585544517 /nfs/dbraw/zinc/54/45/17/585544517.db2.gz AOVHDTAZRJMIIH-NEPJUHHUSA-N 0 1 236.359 2.038 20 0 BEADMN CCC/C(C)=C/C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000768851155 585544790 /nfs/dbraw/zinc/54/47/90/585544790.db2.gz NWXXPOMJHZDIEI-DPGNGVPNSA-N 0 1 238.375 2.284 20 0 BEADMN CCN1CCN(Cc2coc(C3CC3)n2)C[C@H]1C ZINC000769380518 585555023 /nfs/dbraw/zinc/55/50/23/585555023.db2.gz JLSBHLZAHAWDTD-LLVKDONJSA-N 0 1 249.358 2.078 20 0 BEADMN Cc1cc(CN2CCc3cn[nH]c3C2)c(C)o1 ZINC000769468176 585558026 /nfs/dbraw/zinc/55/80/26/585558026.db2.gz BESHKZOFAZSIBM-UHFFFAOYSA-N 0 1 231.299 2.178 20 0 BEADMN c1cc(CN2CC[C@H](Oc3ccccn3)C2)co1 ZINC000769507055 585558415 /nfs/dbraw/zinc/55/84/15/585558415.db2.gz ZOCMEOBGLQDNRA-ZDUSSCGKSA-N 0 1 244.294 2.328 20 0 BEADMN Cc1cc(C)cc(CN(C)CC2OCCO2)c1 ZINC000769846628 585565102 /nfs/dbraw/zinc/56/51/02/585565102.db2.gz QFVOPDKMEQQXJX-UHFFFAOYSA-N 0 1 235.327 2.108 20 0 BEADMN CC[C@@H]1C[N@@H+](Cc2cc(C)oc2C)C[C@@H]1O ZINC000770377760 585573451 /nfs/dbraw/zinc/57/34/51/585573451.db2.gz DBBHGCYJBHGENI-YPMHNXCESA-N 0 1 223.316 2.099 20 0 BEADMN CCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770575973 585576944 /nfs/dbraw/zinc/57/69/44/585576944.db2.gz CBCINJHNHDCDJK-UHFFFAOYSA-N 0 1 231.255 2.039 20 0 BEADMN Cc1nc(COC(=O)c2ccc(C)cc2C)n[nH]1 ZINC000770641951 585578816 /nfs/dbraw/zinc/57/88/16/585578816.db2.gz BEQPIKTYNGXTTE-UHFFFAOYSA-N 0 1 245.282 2.087 20 0 BEADMN OC[C@]1(NCc2ccoc2)CCc2ccccc21 ZINC000771199743 585591501 /nfs/dbraw/zinc/59/15/01/585591501.db2.gz JQGXVZIXOBLIHR-OAHLLOKOSA-N 0 1 243.306 2.203 20 0 BEADMN CCc1cc(CN[C@H](C)c2ccc(F)cn2)[nH]n1 ZINC000771388816 585593472 /nfs/dbraw/zinc/59/34/72/585593472.db2.gz KFGQZPGUYCFKGQ-SECBINFHSA-N 0 1 248.305 2.357 20 0 BEADMN CCC/C(C)=C/C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000771407000 585594138 /nfs/dbraw/zinc/59/41/38/585594138.db2.gz PUEIUCRNUJAFKU-NQYVGZPUSA-N 0 1 238.375 2.284 20 0 BEADMN Cc1nonc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000771460049 585594751 /nfs/dbraw/zinc/59/47/51/585594751.db2.gz LSUAKHZUIKQBRN-SNVBAGLBSA-N 0 1 235.331 2.390 20 0 BEADMN CC(C)c1cnc(CN[C@H](CCO)C(C)C)o1 ZINC000771783787 585600093 /nfs/dbraw/zinc/60/00/93/585600093.db2.gz FNWSYUVZEZSKFE-LLVKDONJSA-N 0 1 240.347 2.295 20 0 BEADMN CC(=O)CCN1CCC[C@@H]1c1cc(C)no1 ZINC000771796156 585600138 /nfs/dbraw/zinc/60/01/38/585600138.db2.gz XZZGEXDLMNSMRP-LLVKDONJSA-N 0 1 222.288 2.099 20 0 BEADMN C[C@@H](N[C@@H](CO)C1CC1)c1nc2ccccc2o1 ZINC000771818469 585601352 /nfs/dbraw/zinc/60/13/52/585601352.db2.gz JTGCTIVPRJKXSU-SKDRFNHKSA-N 0 1 246.310 2.249 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCCC2(C)C)n[nH]1 ZINC000772976590 585628808 /nfs/dbraw/zinc/62/88/08/585628808.db2.gz LSKCODRQHOFAER-LBPRGKRZSA-N 0 1 249.358 2.415 20 0 BEADMN CCc1ccccc1CCN1CC(O)(C(C)C)C1 ZINC000773893707 585645848 /nfs/dbraw/zinc/64/58/48/585645848.db2.gz PBFXTGGYBNARCP-UHFFFAOYSA-N 0 1 247.382 2.494 20 0 BEADMN CC(C)C(N)=NOCc1ccc2c(c1)COC2 ZINC000774779668 585665901 /nfs/dbraw/zinc/66/59/01/585665901.db2.gz WXCPMFCZPKFOPH-UHFFFAOYSA-N 0 1 234.299 2.371 20 0 BEADMN CN(Cc1cccn1C)C[C@@H]1CCC=CO1 ZINC000774904186 585669060 /nfs/dbraw/zinc/66/90/60/585669060.db2.gz PVQRYBBLSDWXBC-ZDUSSCGKSA-N 0 1 220.316 2.150 20 0 BEADMN COc1ccc(CN(C)C[C@@H]2CCC=CO2)cn1 ZINC000775059806 585671200 /nfs/dbraw/zinc/67/12/00/585671200.db2.gz RUIIEUZZQICPAX-ZDUSSCGKSA-N 0 1 248.326 2.215 20 0 BEADMN CC(C)(C)[C@@H](CO)NCc1coc(C2CC2)n1 ZINC000775061154 585671420 /nfs/dbraw/zinc/67/14/20/585671420.db2.gz VIERMGKDHNPFGW-LLVKDONJSA-N 0 1 238.331 2.049 20 0 BEADMN C[C@H]1CCOCCN1CCC(F)(F)F ZINC000775568855 585679804 /nfs/dbraw/zinc/67/98/04/585679804.db2.gz XGUZDEWFMVCLTC-QMMMGPOBSA-N 0 1 211.227 2.050 20 0 BEADMN CCCCC[C@@H](CC)C(=O)NCc1c[nH]nn1 ZINC000775768000 585684376 /nfs/dbraw/zinc/68/43/76/585684376.db2.gz JTQDDVNBEBKVIL-SNVBAGLBSA-N 0 1 238.335 2.027 20 0 BEADMN CCCCC[C@@H](CC)C(=O)NCCN1CCC1 ZINC000775785354 585684767 /nfs/dbraw/zinc/68/47/67/585684767.db2.gz YKFDWSUQHNBOKF-CYBMUJFWSA-N 0 1 240.391 2.415 20 0 BEADMN CCCCC[C@H](CC)C(=O)N1CC(N(C)C)C1 ZINC000775804607 585685529 /nfs/dbraw/zinc/68/55/29/585685529.db2.gz WCWRLNZHDKHITQ-LBPRGKRZSA-N 0 1 240.391 2.365 20 0 BEADMN Cc1cc([C@H](C)N[C@@H](C)Cc2cnccn2)no1 ZINC000810214060 585690894 /nfs/dbraw/zinc/69/08/94/585690894.db2.gz MVQZUDJBTZYQCU-ONGXEEELSA-N 0 1 246.314 2.055 20 0 BEADMN CC(C)COC(=O)CN1CCC[C@@H](C)CC1 ZINC000776579109 585700952 /nfs/dbraw/zinc/70/09/52/585700952.db2.gz JOCPKIRAPWFOIV-GFCCVEGCSA-N 0 1 227.348 2.308 20 0 BEADMN CC(C)COC(=O)CN1C[C@@H](C)CC1(C)C ZINC000776592046 585702341 /nfs/dbraw/zinc/70/23/41/585702341.db2.gz OOQRGNYULRFXPS-NSHDSACASA-N 0 1 227.348 2.306 20 0 BEADMN COCC[C@H](C)Nc1ccc(C)nc1N(C)C ZINC000777274116 585710034 /nfs/dbraw/zinc/71/00/34/585710034.db2.gz FOWGALQHXZWXAD-NSHDSACASA-N 0 1 237.347 2.293 20 0 BEADMN CO[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000777596561 585716270 /nfs/dbraw/zinc/71/62/70/585716270.db2.gz SHJLOHZKNDWKSL-ZDUSSCGKSA-N 0 1 223.291 2.377 20 0 BEADMN CC[C@H](C(=O)OC[C@H]1C[C@@H]1C)N(CC)CC ZINC000778618368 585738269 /nfs/dbraw/zinc/73/82/69/585738269.db2.gz SBCKQELLJGPJPO-QJPTWQEYSA-N 0 1 227.348 2.306 20 0 BEADMN Cc1nc2c(s1)[C@@H](NCc1cn[nH]c1)CCC2 ZINC000779987785 585771431 /nfs/dbraw/zinc/77/14/31/585771431.db2.gz GQKBJBPFJIIMHM-JTQLQIEISA-N 0 1 248.355 2.342 20 0 BEADMN C[C@@H]1CN(Cc2c(F)cccc2F)CCN1C ZINC000780301511 585777578 /nfs/dbraw/zinc/77/75/78/585777578.db2.gz MHHVLKCSBWERNG-SNVBAGLBSA-N 0 1 240.297 2.101 20 0 BEADMN CCc1cc(CNC(=O)[C@@H](C)[C@H](C)CC)n[nH]1 ZINC000780507905 585779826 /nfs/dbraw/zinc/77/98/26/585779826.db2.gz HAYLKUHPAGMFRM-ZJUUUORDSA-N 0 1 237.347 2.271 20 0 BEADMN CCCN1CCN(C(=O)/C(C)=C(/C)CC)CC1 ZINC000780928946 585786461 /nfs/dbraw/zinc/78/64/61/585786461.db2.gz LCAWXQYQVICUKM-SEYXRHQNSA-N 0 1 238.375 2.287 20 0 BEADMN C[C@@](CO)(NCc1nc2ccccc2o1)C1CC1 ZINC000782177275 585809908 /nfs/dbraw/zinc/80/99/08/585809908.db2.gz VBFKIZRQDKUKQN-AWEZNQCLSA-N 0 1 246.310 2.078 20 0 BEADMN CCCCCCN1CCNC(=O)[C@@H]1CC(C)C ZINC000782570833 585820390 /nfs/dbraw/zinc/82/03/90/585820390.db2.gz VEBBACIESXDBCK-ZDUSSCGKSA-N 0 1 240.391 2.413 20 0 BEADMN OC[C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1)C2 ZINC000782616056 585822604 /nfs/dbraw/zinc/82/26/04/585822604.db2.gz LRUWELDTMVRBLR-YPMHNXCESA-N 0 1 237.730 2.154 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2ccccc2)[C@@H](C)[C@@H](C)O1 ZINC000782619248 585822927 /nfs/dbraw/zinc/82/29/27/585822927.db2.gz DYLJGWKQZWZDJJ-COMQUAJESA-N 0 1 249.354 2.218 20 0 BEADMN CCCC(N)=NOC[C@@H]1CCO[C@@H](C)C1 ZINC000783025951 585827276 /nfs/dbraw/zinc/82/72/76/585827276.db2.gz CLGZBTSTUWWGQR-VHSXEESVSA-N 0 1 214.309 2.100 20 0 BEADMN C[C@@H]1CC[C@H]1N[C@@H](CO)c1c(F)cccc1F ZINC000783252356 585832478 /nfs/dbraw/zinc/83/24/78/585832478.db2.gz PGEUHEXHEAFCIU-FXAINCCUSA-N 0 1 241.281 2.386 20 0 BEADMN C[C@@H]1CCCCN1CC(N)=NOCCC1CC1 ZINC000783558225 585836803 /nfs/dbraw/zinc/83/68/03/585836803.db2.gz KVJWRPLZGXZIQH-LLVKDONJSA-N 0 1 239.363 2.159 20 0 BEADMN COC(=O)[C@]1(F)CCN(CCCC(C)C)C1 ZINC000783572070 585837223 /nfs/dbraw/zinc/83/72/23/585837223.db2.gz XYLKTPJHHNRIMO-LBPRGKRZSA-N 0 1 231.311 2.010 20 0 BEADMN Cc1ccc(NCC[C@H]2CCOC2)c(N(C)C)n1 ZINC000783652069 585839305 /nfs/dbraw/zinc/83/93/05/585839305.db2.gz ZGFQHEYGNBUWON-LBPRGKRZSA-N 0 1 249.358 2.295 20 0 BEADMN CN(C[C@@H]1CC=CCC1)CN1CCSC1=O ZINC000784008857 585846656 /nfs/dbraw/zinc/84/66/56/585846656.db2.gz JFEPMQZUOMIHPF-LLVKDONJSA-N 0 1 240.372 2.401 20 0 BEADMN C[C@@H]1CN(CN2CCSC2=O)CC(C)(C)C1 ZINC000784009596 585846698 /nfs/dbraw/zinc/84/66/98/585846698.db2.gz RPLDOFXZVODYSM-JTQLQIEISA-N 0 1 242.388 2.481 20 0 BEADMN CCOc1cccc(CN2CC[C@@H]3C[C@@H]32)n1 ZINC000784227023 585853017 /nfs/dbraw/zinc/85/30/17/585853017.db2.gz WCDFVOWPQFKQRT-PWSUYJOCSA-N 0 1 218.300 2.075 20 0 BEADMN CC(C)[C@@H](F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000784464106 585861089 /nfs/dbraw/zinc/86/10/89/585861089.db2.gz IMVBCROPVJAVJJ-LLVKDONJSA-N 0 1 239.294 2.080 20 0 BEADMN CCCC=CC(=O)N[C@@H](CC)c1ncc[nH]1 ZINC000785421862 585873373 /nfs/dbraw/zinc/87/33/73/585873373.db2.gz VQZPZDVVMQBOBV-GFVADAIESA-N 0 1 221.304 2.333 20 0 BEADMN CSCCCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000785732640 585879002 /nfs/dbraw/zinc/87/90/02/585879002.db2.gz OHTLRTFLMUUPFM-GHMZBOCLSA-N 0 1 245.388 2.156 20 0 BEADMN CC[C@H](C)OC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000785736005 585879274 /nfs/dbraw/zinc/87/92/74/585879274.db2.gz OXDFUTMJVZHUKF-AXFHLTTASA-N 0 1 213.321 2.201 20 0 BEADMN C[C@H]1CC[C@H](C)N1CC(=O)OC1CCCC1 ZINC000785739297 585879340 /nfs/dbraw/zinc/87/93/40/585879340.db2.gz AIAXYKMRDDLGQE-QWRGUYRKSA-N 0 1 225.332 2.345 20 0 BEADMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccno1 ZINC000786339764 585889943 /nfs/dbraw/zinc/88/99/43/585889943.db2.gz FPVOHILLAVLWKA-UHFFFAOYSA-N 0 1 249.270 2.187 20 0 BEADMN CCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000786345714 585890222 /nfs/dbraw/zinc/89/02/22/585890222.db2.gz XSGLLIDOZCGHDY-UHFFFAOYSA-N 0 1 210.277 2.408 20 0 BEADMN CC(C)(C)[C@@H](NC(=O)C(F)F)C(F)(F)F ZINC000787395961 585908784 /nfs/dbraw/zinc/90/87/84/585908784.db2.gz DHWBFGKFLXSPSG-ZCFIWIBFSA-N 0 1 233.180 2.345 20 0 BEADMN Cc1cc([C@@H]2CCCN2CCC[C@@H](C)O)no1 ZINC000789304824 585939191 /nfs/dbraw/zinc/93/91/91/585939191.db2.gz FFPDBPFBIFLEPG-MFKMUULPSA-N 0 1 238.331 2.281 20 0 BEADMN C/C=C(/CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000789758705 585949359 /nfs/dbraw/zinc/94/93/59/585949359.db2.gz PZIHFZJMFKXOCF-BAQGIRSFSA-N 0 1 246.270 2.360 20 0 BEADMN CC(C)[C@H](C(=O)OC1CCCC1)N(C)C ZINC000789801128 585950317 /nfs/dbraw/zinc/95/03/17/585950317.db2.gz LWEDYWPCOHHCJL-LLVKDONJSA-N 0 1 213.321 2.058 20 0 BEADMN CC=C(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000789814551 585950984 /nfs/dbraw/zinc/95/09/84/585950984.db2.gz UEFFSAVZDAKHGY-IMAIQDNJSA-N 0 1 233.315 2.260 20 0 BEADMN C[C@@H](CC(=O)Nc1c[nH]nn1)c1cccc(F)c1 ZINC000789926651 585953351 /nfs/dbraw/zinc/95/33/51/585953351.db2.gz TXUUTCJPYMBUIY-QMMMGPOBSA-N 0 1 248.261 2.076 20 0 BEADMN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000790219745 585961157 /nfs/dbraw/zinc/96/11/57/585961157.db2.gz MRSFFLAQFHNXCA-DTWKUNHWSA-N 0 1 247.191 2.360 20 0 BEADMN COc1cccc(CN[C@H](C)c2ccc[nH]2)n1 ZINC000790981271 585971499 /nfs/dbraw/zinc/97/14/99/585971499.db2.gz VHANXUJTZMRXIG-SNVBAGLBSA-N 0 1 231.299 2.269 20 0 BEADMN CO[C@H](C)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000791052507 585972919 /nfs/dbraw/zinc/97/29/19/585972919.db2.gz WLBYLDPVZICCAG-SECBINFHSA-N 0 1 247.298 2.235 20 0 BEADMN CCc1nc(SCc2oc(C)nc2C)n[nH]1 ZINC000791438610 585981595 /nfs/dbraw/zinc/98/15/95/585981595.db2.gz VTPSPEGIHSZJTK-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CCc1n[nH]c(SCc2oc(C)nc2C)n1 ZINC000791438610 585981596 /nfs/dbraw/zinc/98/15/96/585981596.db2.gz VTPSPEGIHSZJTK-UHFFFAOYSA-N 0 1 238.316 2.264 20 0 BEADMN CCCCCCNC(=O)CN1[C@@H](C)C[C@@H]1C ZINC000791565104 585983945 /nfs/dbraw/zinc/98/39/45/585983945.db2.gz FCCHIMCGZIODBP-RYUDHWBXSA-N 0 1 226.364 2.166 20 0 BEADMN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000791564880 585984199 /nfs/dbraw/zinc/98/41/99/585984199.db2.gz BDAFRWZYORBKSM-JRKPZEMJSA-N 0 1 241.281 2.481 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccccc1F ZINC000791572319 585984469 /nfs/dbraw/zinc/98/44/69/585984469.db2.gz DAAURDOIULYVDC-CWSCBRNRSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1cccc(F)c1 ZINC000791577880 585984608 /nfs/dbraw/zinc/98/46/08/585984608.db2.gz OZSSCDARAWZNMI-GBIKHYSHSA-N 0 1 223.291 2.342 20 0 BEADMN C[C@@H]1C[C@H](C)N1C[C@H](O)c1cccc(F)c1 ZINC000791577879 585984962 /nfs/dbraw/zinc/98/49/62/585984962.db2.gz OZSSCDARAWZNMI-CWSCBRNRSA-N 0 1 223.291 2.342 20 0 BEADMN O=C(OC/C=C/Cl)c1ccc2cncn2c1 ZINC000792545651 586002415 /nfs/dbraw/zinc/00/24/15/586002415.db2.gz DZKDGSKCMVAVQZ-DAFODLJHSA-N 0 1 236.658 2.244 20 0 BEADMN CCc1cc(CNCc2ccnn2C(C)C)[nH]n1 ZINC000792979106 586007751 /nfs/dbraw/zinc/00/77/51/586007751.db2.gz FTVXXUHLLYPVGU-UHFFFAOYSA-N 0 1 247.346 2.039 20 0 BEADMN O=C(O[C@@H]1C=CCC1)c1ccc2cncn2c1 ZINC000793191292 586013732 /nfs/dbraw/zinc/01/37/32/586013732.db2.gz QQBNGLRDXQSEBV-GFCCVEGCSA-N 0 1 228.251 2.210 20 0 BEADMN Cc1nn(C)c(C)c1CN1CCC(F)(F)CC1 ZINC000793361420 586017424 /nfs/dbraw/zinc/01/74/24/586017424.db2.gz HGLAMGUPUDUFRO-UHFFFAOYSA-N 0 1 243.301 2.268 20 0 BEADMN Cc1cc([C@@H](C)NCc2ccc(C)nc2)n(C)n1 ZINC000793522890 586021684 /nfs/dbraw/zinc/02/16/84/586021684.db2.gz GOJRXWZPYNBLSO-GFCCVEGCSA-N 0 1 244.342 2.283 20 0 BEADMN O=C(NOC1CCCC1)[C@H]1Cc2ccc(F)cc21 ZINC000793771744 586026303 /nfs/dbraw/zinc/02/63/03/586026303.db2.gz GSKYEFUZMIBWII-ZDUSSCGKSA-N 0 1 249.285 2.456 20 0 BEADMN CC(C)c1nc(CN2CCC(F)(F)CC2)n[nH]1 ZINC000794532929 586042306 /nfs/dbraw/zinc/04/23/06/586042306.db2.gz SETSFAJKDDNJLH-UHFFFAOYSA-N 0 1 244.289 2.159 20 0 BEADMN CC=CC=CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795250345 586073559 /nfs/dbraw/zinc/07/35/59/586073559.db2.gz LEALIBGTLKMWPX-DEQVHDEQSA-N 0 1 235.287 2.104 20 0 BEADMN CC=CC=CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795250345 586073562 /nfs/dbraw/zinc/07/35/62/586073562.db2.gz LEALIBGTLKMWPX-DEQVHDEQSA-N 0 1 235.287 2.104 20 0 BEADMN CC/C=C(/C)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795269017 586074042 /nfs/dbraw/zinc/07/40/42/586074042.db2.gz MPDZPMPWBZZPFP-TWGQIWQCSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C=C(/C)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795269017 586074044 /nfs/dbraw/zinc/07/40/44/586074044.db2.gz MPDZPMPWBZZPFP-TWGQIWQCSA-N 0 1 237.303 2.328 20 0 BEADMN CCCCN(CC)CN1C[C@@H](C(F)F)CC1=O ZINC000795409121 586077585 /nfs/dbraw/zinc/07/75/85/586077585.db2.gz PNKAIMCMUWDUHW-JTQLQIEISA-N 0 1 248.317 2.180 20 0 BEADMN CC[C@H](C)CN(C)CN1C[C@H](C(F)F)CC1=O ZINC000795421871 586078024 /nfs/dbraw/zinc/07/80/24/586078024.db2.gz FFLWMKGZNNUZNS-VHSXEESVSA-N 0 1 248.317 2.035 20 0 BEADMN CC(C)CCN(C)[C@H]1CC(C)(C)OC1=O ZINC000795698844 586091439 /nfs/dbraw/zinc/09/14/39/586091439.db2.gz MZEFQOFDFRGMPC-JTQLQIEISA-N 0 1 213.321 2.058 20 0 BEADMN CC(C)COC(=O)CN(CC1CC1)C1CCC1 ZINC000796575929 586107290 /nfs/dbraw/zinc/10/72/90/586107290.db2.gz BPGXXWILMGDOOD-UHFFFAOYSA-N 0 1 239.359 2.450 20 0 BEADMN Cc1ccccc1[C@H](O)CN[C@@H](C)c1ncc[nH]1 ZINC000796760182 586111564 /nfs/dbraw/zinc/11/15/64/586111564.db2.gz LNMUVZWDEBBMFF-WCQYABFASA-N 0 1 245.326 2.102 20 0 BEADMN CC/C(C)=C(/C)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000797757926 586130673 /nfs/dbraw/zinc/13/06/73/586130673.db2.gz LTFXVRZHWRQSKL-KTKRTIGZSA-N 0 1 248.330 2.047 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccco1)N(C)C ZINC000798845910 586151380 /nfs/dbraw/zinc/15/13/80/586151380.db2.gz RLAIJASRIIXMFR-CMPLNLGQSA-N 0 1 239.315 2.470 20 0 BEADMN COC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC000799113943 586157350 /nfs/dbraw/zinc/15/73/50/586157350.db2.gz NJKDESFBXWRGPW-GFCCVEGCSA-N 0 1 242.363 2.053 20 0 BEADMN CCS(=O)(=O)CCN(C)C[C@@H](C)CC(C)C ZINC000799145619 586162218 /nfs/dbraw/zinc/16/22/18/586162218.db2.gz FGMWWMVUSGVXNB-LBPRGKRZSA-N 0 1 249.420 2.035 20 0 BEADMN CCN(CCS(C)(=O)=O)C[C@@H](C)CC(C)C ZINC000799145072 586162316 /nfs/dbraw/zinc/16/23/16/586162316.db2.gz MBIONWYUYXGUDF-LBPRGKRZSA-N 0 1 249.420 2.035 20 0 BEADMN c1cc(CN2CC[C@H](c3ccccn3)C2)on1 ZINC000799191640 586165440 /nfs/dbraw/zinc/16/54/40/586165440.db2.gz ORVMCUUKKIJIRH-NSHDSACASA-N 0 1 229.283 2.059 20 0 BEADMN C[N@@H+](CC1=CCSC1)Cc1ccnc(F)c1 ZINC000859360576 589034453 /nfs/dbraw/zinc/03/44/53/589034453.db2.gz DXOLFXTWTFPNPA-UHFFFAOYSA-N 0 1 238.331 2.326 20 0 BEADMN CN(CC1=CCSC1)Cc1ccnc(F)c1 ZINC000859360576 589034455 /nfs/dbraw/zinc/03/44/55/589034455.db2.gz DXOLFXTWTFPNPA-UHFFFAOYSA-N 0 1 238.331 2.326 20 0 BEADMN CCCC[C@@H](C)C(=O)OCc1n[nH]c(CC)n1 ZINC000800276667 586208352 /nfs/dbraw/zinc/20/83/52/586208352.db2.gz NLBNZQKYLNBAGY-SECBINFHSA-N 0 1 239.319 2.237 20 0 BEADMN COc1cccc(CN2CC[C@@H](OC)C2)c1F ZINC000800510665 586223499 /nfs/dbraw/zinc/22/34/99/586223499.db2.gz TTWWHTDMGIPPFW-LLVKDONJSA-N 0 1 239.290 2.055 20 0 BEADMN CO[C@H](C[N@H+]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000801936047 586278236 /nfs/dbraw/zinc/27/82/36/586278236.db2.gz OGDFZIWMEZRXOL-UKRRQHHQSA-N 0 1 248.370 2.010 20 0 BEADMN CCN(CCS(C)(=O)=O)C[C@H](C)C(C)(C)C ZINC000802641860 586307286 /nfs/dbraw/zinc/30/72/86/586307286.db2.gz JIAIMBRIFVPEID-NSHDSACASA-N 0 1 249.420 2.035 20 0 BEADMN CCC[C@@H](C)CN1CCO[C@H](C(F)F)C1 ZINC000802654800 586308828 /nfs/dbraw/zinc/30/88/28/586308828.db2.gz ZYWIZCLRWOLOCS-ZJUUUORDSA-N 0 1 221.291 2.389 20 0 BEADMN CCC[C@H](C)CN1CCO[C@H](C(F)F)C1 ZINC000802654798 586309073 /nfs/dbraw/zinc/30/90/73/586309073.db2.gz ZYWIZCLRWOLOCS-UWVGGRQHSA-N 0 1 221.291 2.389 20 0 BEADMN C[C@H]1CN(CN2CCCC(C)(C)C2)C(=O)[C@@H]1C ZINC000839993459 586335743 /nfs/dbraw/zinc/33/57/43/586335743.db2.gz DLTDZIVEQIAWMV-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@@H]1C[C@@H]1C)N1CCCC1 ZINC000859568066 589046058 /nfs/dbraw/zinc/04/60/58/589046058.db2.gz YXZULRGANXICTL-RWMBFGLXSA-N 0 1 239.359 2.306 20 0 BEADMN CC(C)[C@H](C(=O)OC[C@H]1C[C@H]1C)N1CCCC1 ZINC000859568064 589046224 /nfs/dbraw/zinc/04/62/24/589046224.db2.gz YXZULRGANXICTL-JHJVBQTASA-N 0 1 239.359 2.306 20 0 BEADMN CCN(CN1C[C@H]2CCC[C@@H]2C1=O)C1CCC1 ZINC000840000599 586353289 /nfs/dbraw/zinc/35/32/89/586353289.db2.gz PWYJDLSZBNORFA-YPMHNXCESA-N 0 1 236.359 2.077 20 0 BEADMN CC(C)SCCOC(=O)[C@@H](C(C)C)N(C)C ZINC000803494978 586361723 /nfs/dbraw/zinc/36/17/23/586361723.db2.gz ATNVOOPBVRJVFN-LLVKDONJSA-N 0 1 247.404 2.257 20 0 BEADMN CN(CN1C[C@@H]2CCC[C@H]2C1=O)CC(C)(C)C ZINC000840004008 586362344 /nfs/dbraw/zinc/36/23/44/586362344.db2.gz QMWLLPCHCZZZQB-NWDGAFQWSA-N 0 1 238.375 2.180 20 0 BEADMN C[C@@H]1CN(CN(C)CC(C)(C)C)C(=O)[C@H]1C ZINC000840005118 586364877 /nfs/dbraw/zinc/36/48/77/586364877.db2.gz VHMLJYNRTDCXKV-MNOVXSKESA-N 0 1 226.364 2.036 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2ccc(F)cc2)n[nH]1 ZINC000840009107 586366844 /nfs/dbraw/zinc/36/68/44/586366844.db2.gz ZMLKPAJORCVSMS-SSDOTTSWSA-N 0 1 249.245 2.170 20 0 BEADMN C[C@@H](N(C)CN1C[C@@H](C)[C@@H](C)C1=O)C1(C)CC1 ZINC000840024113 586383623 /nfs/dbraw/zinc/38/36/23/586383623.db2.gz ULLNDZDCTBSRJG-IJLUTSLNSA-N 0 1 238.375 2.179 20 0 BEADMN O=C1[C@@H]2CCC[C@@H]2CN1CN1CCC2(CCC2)C1 ZINC000840023668 586383672 /nfs/dbraw/zinc/38/36/72/586383672.db2.gz SGDPENFYFAUNGM-CHWSQXEVSA-N 0 1 248.370 2.078 20 0 BEADMN Fc1ccc(CN(C2CC2)C2CC2)nc1 ZINC000859628728 589050436 /nfs/dbraw/zinc/05/04/36/589050436.db2.gz ZNAXCCIYDSIWHK-UHFFFAOYSA-N 0 1 206.264 2.348 20 0 BEADMN CC1=C(C)CN(CN2C[C@@H](C)[C@H](C)C2=O)CC1 ZINC000840063645 586413393 /nfs/dbraw/zinc/41/33/93/586413393.db2.gz YZMLVNARFWRORM-OLZOCXBDSA-N 0 1 236.359 2.100 20 0 BEADMN CC1=C[C@H](C)CN(CN2CCC(C)(C)C2=O)C1 ZINC000840067526 586416075 /nfs/dbraw/zinc/41/60/75/586416075.db2.gz WVABNTYEMJYOTG-NSHDSACASA-N 0 1 236.359 2.100 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000859663026 589052684 /nfs/dbraw/zinc/05/26/84/589052684.db2.gz IEYGRNZSMUALGQ-NOOOWODRSA-N 0 1 225.332 2.058 20 0 BEADMN CC[C@H](CC1CCCC1)C(=O)Nc1c[nH]nn1 ZINC000807922638 586452020 /nfs/dbraw/zinc/45/20/20/586452020.db2.gz HKIITQIWGXEZDJ-SNVBAGLBSA-N 0 1 236.319 2.350 20 0 BEADMN CCCN(CC)CN1C[C@@](C)(CC)CC1=O ZINC000808150047 586464611 /nfs/dbraw/zinc/46/46/11/586464611.db2.gz XOTJLHTWZZBTEA-ZDUSSCGKSA-N 0 1 226.364 2.324 20 0 BEADMN CCN(CN1CC(C)(C)CC1=O)C1CCC1 ZINC000808160681 586465669 /nfs/dbraw/zinc/46/56/69/586465669.db2.gz SBCXGZNGYCNCRJ-UHFFFAOYSA-N 0 1 224.348 2.077 20 0 BEADMN S=c1[nH]ccn1CN1CCC[C@@H](C2CC2)C1 ZINC000808231149 586468218 /nfs/dbraw/zinc/46/82/18/586468218.db2.gz YXQOFRYHVPISDB-LLVKDONJSA-N 0 1 237.372 2.251 20 0 BEADMN CC(C)=CCON=C(N)CN1CCCCCC1 ZINC000808256748 586468704 /nfs/dbraw/zinc/46/87/04/586468704.db2.gz GPMJYSZLIVCYAB-UHFFFAOYSA-N 0 1 239.363 2.327 20 0 BEADMN C[C@@H](NCc1nccs1)[C@@H](O)c1ccccc1 ZINC000808447412 586472940 /nfs/dbraw/zinc/47/29/40/586472940.db2.gz ZENAOBQXOVRBCW-ZWNOBZJWSA-N 0 1 248.351 2.355 20 0 BEADMN CC(C)=CCOC(=O)CN1[C@H](C)CC[C@H]1C ZINC000808543149 586479029 /nfs/dbraw/zinc/47/90/29/586479029.db2.gz BBXBWAHKRWSEFI-VXGBXAGGSA-N 0 1 225.332 2.369 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1CCC(=O)C(C)C ZINC000808709176 586483473 /nfs/dbraw/zinc/48/34/73/586483473.db2.gz QJMVMDDFFPSYCA-NEPJUHHUSA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000808734330 586486047 /nfs/dbraw/zinc/48/60/47/586486047.db2.gz RZJRRNSKRQNKJF-NSHDSACASA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1CCOC(C)(C)[C@@H]1C ZINC000808734330 586486048 /nfs/dbraw/zinc/48/60/48/586486048.db2.gz RZJRRNSKRQNKJF-NSHDSACASA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000808744914 586486745 /nfs/dbraw/zinc/48/67/45/586486745.db2.gz FGPXOYSMSJDCPB-SNVBAGLBSA-N 0 1 249.301 2.305 20 0 BEADMN CC(C)C(=O)CCN1CC(C)(C)OC[C@@H]1C ZINC000808752648 586487958 /nfs/dbraw/zinc/48/79/58/586487958.db2.gz MAKWTUQBZGNOSI-NSHDSACASA-N 0 1 227.348 2.101 20 0 BEADMN CC(C)C(=O)CCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000808753713 586488300 /nfs/dbraw/zinc/48/83/00/586488300.db2.gz AISLQQUGSSSCRF-SMDDNHRTSA-N 0 1 239.359 2.101 20 0 BEADMN CCCCOC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000808778071 586489892 /nfs/dbraw/zinc/48/98/92/586489892.db2.gz LUEZBZVGEWNBCX-CYBMUJFWSA-N 0 1 239.359 2.452 20 0 BEADMN CC[C@@H]1CC(=O)N(CN(C)C2CC(C)(C)C2)C1 ZINC000840164818 586502276 /nfs/dbraw/zinc/50/22/76/586502276.db2.gz VQUGLIYHZKYTQM-LLVKDONJSA-N 0 1 238.375 2.323 20 0 BEADMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCC1CC1 ZINC000809374274 586504793 /nfs/dbraw/zinc/50/47/93/586504793.db2.gz HZHKNAZPQAVKPX-QWRGUYRKSA-N 0 1 239.363 2.158 20 0 BEADMN CC[N@@H+](CCC1CCCCCC1)CC(=O)NC ZINC000809545792 586506462 /nfs/dbraw/zinc/50/64/62/586506462.db2.gz QJOWBEKWCQHFQE-UHFFFAOYSA-N 0 1 240.391 2.415 20 0 BEADMN C[C@@H]1C[C@@H]1COC(=O)C(C)(C)N1CCCC1 ZINC000859692999 589055130 /nfs/dbraw/zinc/05/51/30/589055130.db2.gz QTTJKLPWLJCJEJ-GHMZBOCLSA-N 0 1 225.332 2.060 20 0 BEADMN CC(C)[C@H]1CCN1Cc1cnc([C@H](C)O)s1 ZINC000809601959 586509033 /nfs/dbraw/zinc/50/90/33/586509033.db2.gz GRJXPNDWQTUJJW-GXSJLCMTSA-N 0 1 240.372 2.427 20 0 BEADMN Cc1ccc(CN2CCOCC[C@@H]2C)cn1 ZINC000809763992 586518298 /nfs/dbraw/zinc/51/82/98/586518298.db2.gz BWUGHNXOWIHDBW-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ncsc1CN1CCOCC[C@H]1C ZINC000809766220 586518312 /nfs/dbraw/zinc/51/83/12/586518312.db2.gz VKKNZICUYUDFDI-SECBINFHSA-N 0 1 226.345 2.062 20 0 BEADMN CCCCCN(Cc1cnn(C)n1)C(C)C ZINC000809935435 586524144 /nfs/dbraw/zinc/52/41/44/586524144.db2.gz METIWLWOYWKXDX-UHFFFAOYSA-N 0 1 224.352 2.216 20 0 BEADMN CC[C@@H](C)[C@H](C)N(Cc1cnn(C)n1)C1CC1 ZINC000809942231 586525009 /nfs/dbraw/zinc/52/50/09/586525009.db2.gz GHFBRODCYLJAHA-MNOVXSKESA-N 0 1 236.363 2.214 20 0 BEADMN Cc1nc(C)c(CN2CC[C@H](C(F)F)C2)o1 ZINC000809968327 586527504 /nfs/dbraw/zinc/52/75/04/586527504.db2.gz AWYKNOROLRJGSX-VIFPVBQESA-N 0 1 230.258 2.378 20 0 BEADMN Cc1ccc([C@H](C)NCc2cncn2C)c(C)n1 ZINC000810244212 586537286 /nfs/dbraw/zinc/53/72/86/586537286.db2.gz YEEIKNZZWBYERP-NSHDSACASA-N 0 1 244.342 2.283 20 0 BEADMN CC(C)(C)N1CC[C@](F)(C(=O)OC2CCC2)C1 ZINC000810603689 586542308 /nfs/dbraw/zinc/54/23/08/586542308.db2.gz RDCDGORUSGWIHU-CYBMUJFWSA-N 0 1 243.322 2.295 20 0 BEADMN CCC[C@H](C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840208906 586546404 /nfs/dbraw/zinc/54/64/04/586546404.db2.gz NOTAMZDJNNAKHI-YUMQZZPRSA-N 0 1 225.292 2.154 20 0 BEADMN CC(C)[C@@H](C(=O)O[C@@H]1CCCC[C@H]1F)N(C)C ZINC000810894347 586549830 /nfs/dbraw/zinc/54/98/30/586549830.db2.gz YKISCCLMJMBCKG-UTUOFQBUSA-N 0 1 245.338 2.397 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000840228321 586557160 /nfs/dbraw/zinc/55/71/60/586557160.db2.gz DDNWHGCLTWBSMH-NFXKFNAJSA-N 0 1 237.303 2.320 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)c2ccco2)n[nH]1 ZINC000840231463 586560400 /nfs/dbraw/zinc/56/04/00/586560400.db2.gz DJQRBBDEKLVMDR-JGVFFNPUSA-N 0 1 249.270 2.114 20 0 BEADMN CC(C)CN(C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811736653 586566372 /nfs/dbraw/zinc/56/63/72/586566372.db2.gz GKRLQEMHUZPIHF-LBPRGKRZSA-N 0 1 238.375 2.179 20 0 BEADMN CN(CN1C(=O)C(C)(C)[C@H]1C1CC1)C1CCC1 ZINC000811750708 586566418 /nfs/dbraw/zinc/56/64/18/586566418.db2.gz CVTBDVVPCIYORN-GFCCVEGCSA-N 0 1 236.359 2.075 20 0 BEADMN CC1(C)C(=O)N(CN2C3CCC2CC3)[C@H]1C1CC1 ZINC000811728689 586566420 /nfs/dbraw/zinc/56/64/20/586566420.db2.gz GYABGBKNNVAFLX-BPCQOVAHSA-N 0 1 248.370 2.218 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H]2CC23CCCC3)n[nH]1 ZINC000840250376 586574661 /nfs/dbraw/zinc/57/46/61/586574661.db2.gz MVDIKXZZYYVPIO-SCZZXKLOSA-N 0 1 249.314 2.298 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)c2oc(C)cc2C)n[nH]1 ZINC000840255285 586577899 /nfs/dbraw/zinc/57/78/99/586577899.db2.gz BASYBLKCKNIXGJ-MRVPVSSYSA-N 0 1 249.270 2.241 20 0 BEADMN O=C(NOC1CCC1)[C@@H]1Cc2ccc(F)cc21 ZINC000812793988 586585930 /nfs/dbraw/zinc/58/59/30/586585930.db2.gz MDOANJZYIIXXDG-GFCCVEGCSA-N 0 1 235.258 2.066 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1CC1(C)C)N(C)C ZINC000813126446 586595362 /nfs/dbraw/zinc/59/53/62/586595362.db2.gz JSSQSYIZIFNJDP-MNOVXSKESA-N 0 1 227.348 2.162 20 0 BEADMN C[C@@H](NC[C@@H]1CCCO1)c1cn2c(n1)CCCC2 ZINC000813322489 586600057 /nfs/dbraw/zinc/60/00/57/586600057.db2.gz CXAGTKIGNUGRSY-NEPJUHHUSA-N 0 1 249.358 2.049 20 0 BEADMN CCC(CC)CN(C)[C@H]1CC(C)(C)OC1=O ZINC000814179652 586615948 /nfs/dbraw/zinc/61/59/48/586615948.db2.gz FVPIUYIQPHLHLV-NSHDSACASA-N 0 1 227.348 2.449 20 0 BEADMN CN(C[C@@H]1CC=CCC1)[C@H]1CC(C)(C)OC1=O ZINC000814179682 586616115 /nfs/dbraw/zinc/61/61/15/586616115.db2.gz GGVHUMMAFWEPLU-NEPJUHHUSA-N 0 1 237.343 2.369 20 0 BEADMN C/C=C(/C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814458123 586622102 /nfs/dbraw/zinc/62/21/02/586622102.db2.gz LBASKTOSBGBSQW-VURMDHGXSA-N 0 1 237.303 2.112 20 0 BEADMN C/C=C(/C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814458123 586622103 /nfs/dbraw/zinc/62/21/03/586622103.db2.gz LBASKTOSBGBSQW-VURMDHGXSA-N 0 1 237.303 2.112 20 0 BEADMN Cc1nc(COC(=O)C(C)(C)C(C)(C)C)n[nH]1 ZINC000814488046 586622787 /nfs/dbraw/zinc/62/27/87/586622787.db2.gz SKDFOBNDTDKIHI-UHFFFAOYSA-N 0 1 239.319 2.229 20 0 BEADMN Cc1cc([NH+]=C([O-])NOCCC2CC2)sn1 ZINC000814655203 586627471 /nfs/dbraw/zinc/62/74/71/586627471.db2.gz MVCCUASGFJMISK-UHFFFAOYSA-N 0 1 241.316 2.305 20 0 BEADMN C[C@H]1CCCC[C@@H]1CCNCc1cnn(C)n1 ZINC000815126492 586667899 /nfs/dbraw/zinc/66/78/99/586667899.db2.gz MTRPKMVBPGMWJL-NWDGAFQWSA-N 0 1 236.363 2.121 20 0 BEADMN Cc1nn(C)c2ncc(CN3C[C@@H](C)[C@H]3C)cc12 ZINC000815162611 586671460 /nfs/dbraw/zinc/67/14/60/586671460.db2.gz LPXRCKFXYAUUFV-MWLCHTKSSA-N 0 1 244.342 2.117 20 0 BEADMN C[C@@H]1CN(C[C@H](O)c2cccc(F)c2)[C@H]1C ZINC000815163097 586671823 /nfs/dbraw/zinc/67/18/23/586671823.db2.gz HAPBGFMVAQBQQY-NRUUGDAUSA-N 0 1 223.291 2.199 20 0 BEADMN CCc1cc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)n[nH]1 ZINC000815582022 586688095 /nfs/dbraw/zinc/68/80/95/586688095.db2.gz VUFVZOFURGRTLN-WDAIWFPHSA-N 0 1 247.342 2.025 20 0 BEADMN CO[C@@H]1CCCC[C@@H]1C(=O)NOC1CCCC1 ZINC000815951265 586699453 /nfs/dbraw/zinc/69/94/53/586699453.db2.gz YZFUIIKEQUQCCX-NWDGAFQWSA-N 0 1 241.331 2.182 20 0 BEADMN O=C(Nc1c[nH]nn1)c1ccc(C2CCC2)cc1 ZINC000816316938 586717360 /nfs/dbraw/zinc/71/73/60/586717360.db2.gz FLCDRWMYLMGUEY-UHFFFAOYSA-N 0 1 242.282 2.325 20 0 BEADMN CCCN(CC)Cc1cnn(C)c1Cl ZINC000816477521 586735136 /nfs/dbraw/zinc/73/51/36/586735136.db2.gz AXUMKJUJQOTTKY-UHFFFAOYSA-N 0 1 215.728 2.305 20 0 BEADMN C[C@@H]1CCN(Cc2cnn(C)c2Cl)[C@@H]1C ZINC000816519949 586738517 /nfs/dbraw/zinc/73/85/17/586738517.db2.gz ATVBGLWGUZJBPK-RKDXNWHRSA-N 0 1 227.739 2.304 20 0 BEADMN CC1=CC[C@@H](N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000816591871 586743346 /nfs/dbraw/zinc/74/33/46/586743346.db2.gz QIOKGRNJRUKOJH-WDEREUQCSA-N 0 1 247.346 2.157 20 0 BEADMN Cc1nc(F)ccc1CN1C[C@@H](C)[C@@H]1C ZINC000816646607 586749344 /nfs/dbraw/zinc/74/93/44/586749344.db2.gz GJAOSUBHOIDDFS-SCZZXKLOSA-N 0 1 208.280 2.369 20 0 BEADMN COc1ccc(CN2C[C@H](C)[C@H]2C)cc1O ZINC000816649219 586751527 /nfs/dbraw/zinc/75/15/27/586751527.db2.gz VXFQOBQKCIJWGU-VHSXEESVSA-N 0 1 221.300 2.241 20 0 BEADMN CC[C@H]1CN(C)CCN1Cc1coc(C2CC2)n1 ZINC000816660529 586753579 /nfs/dbraw/zinc/75/35/79/586753579.db2.gz HMWKIMMHZDMCGH-ZDUSSCGKSA-N 0 1 249.358 2.078 20 0 BEADMN CO[C@@H](C)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017626 586779297 /nfs/dbraw/zinc/77/92/97/586779297.db2.gz WDIVRAPBQJBIAM-VIFPVBQESA-N 0 1 247.298 2.235 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2=C(C)CCC2)n[nH]1 ZINC000840339800 586798353 /nfs/dbraw/zinc/79/83/53/586798353.db2.gz DFZCNWXOWSOGIE-MRVPVSSYSA-N 0 1 235.287 2.218 20 0 BEADMN O=C(NOCCC1CC1)[C@H]1CC1(Cl)Cl ZINC000817416757 586802872 /nfs/dbraw/zinc/80/28/72/586802872.db2.gz TUQHEDKXZFROSY-SSDOTTSWSA-N 0 1 238.114 2.028 20 0 BEADMN CC(C)(C(=O)NOCCC1CC1)c1cccnc1 ZINC000817420846 586803321 /nfs/dbraw/zinc/80/33/21/586803321.db2.gz CHOKOMQKRQACNI-UHFFFAOYSA-N 0 1 248.326 2.207 20 0 BEADMN CCC(=CC(=O)N(C)C[C@H]1CCC[N@H+]1C)CC ZINC000817491563 586807987 /nfs/dbraw/zinc/80/79/87/586807987.db2.gz QQHNREIAHUSMEL-CYBMUJFWSA-N 0 1 238.375 2.285 20 0 BEADMN COC1([C@@H](C)N[C@H]2CCn3ccnc32)CCCC1 ZINC000817584649 586812601 /nfs/dbraw/zinc/81/26/01/586812601.db2.gz FOEQJDXALFYIKV-NEPJUHHUSA-N 0 1 249.358 2.265 20 0 BEADMN FCC[C@@H]1CN(CC2CC(F)(F)C2)CCO1 ZINC000859908597 589069815 /nfs/dbraw/zinc/06/98/15/589069815.db2.gz NRRLSODWFWUVNE-SNVBAGLBSA-N 0 1 237.265 2.092 20 0 BEADMN C/C=C(/C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000818011707 586864306 /nfs/dbraw/zinc/86/43/06/586864306.db2.gz MECUKZNACBPKJO-DXCZGNEWSA-N 0 1 244.338 2.126 20 0 BEADMN Clc1ncccc1CN[C@H]1CC12CC2 ZINC000818229996 586881018 /nfs/dbraw/zinc/88/10/18/586881018.db2.gz LMNMLYIUWLCEDH-VIFPVBQESA-N 0 1 208.692 2.377 20 0 BEADMN Cc1cc(CNC[C@@H](O)c2ccccc2C)on1 ZINC000818978016 586919018 /nfs/dbraw/zinc/91/90/18/586919018.db2.gz CREKBNKKPNQFKY-CQSZACIVSA-N 0 1 246.310 2.115 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000818978064 586919521 /nfs/dbraw/zinc/91/95/21/586919521.db2.gz PZYHJBJFPZTXOQ-HHQWOOOKSA-N 0 1 238.375 2.285 20 0 BEADMN Cc1ccccc1C(C)(C)C(=O)Nc1c[nH]nn1 ZINC000819495453 586970060 /nfs/dbraw/zinc/97/00/60/586970060.db2.gz YXNQOSXCFHZUDX-UHFFFAOYSA-N 0 1 244.298 2.029 20 0 BEADMN CCC(=CC(=O)N1CCc2nc[nH]c2C1)CC ZINC000819968789 587008445 /nfs/dbraw/zinc/00/84/45/587008445.db2.gz WQTVIRBRROBVHB-UHFFFAOYSA-N 0 1 233.315 2.041 20 0 BEADMN CCC[C@@H](CC)C(=O)NCc1cc(C)[nH]n1 ZINC000819981702 587010719 /nfs/dbraw/zinc/01/07/19/587010719.db2.gz GRBYKVCUKPZKCG-SNVBAGLBSA-N 0 1 223.320 2.161 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(Cl)n1 ZINC000820015416 587012582 /nfs/dbraw/zinc/01/25/82/587012582.db2.gz SBZPVZDYUWHERU-UHFFFAOYSA-N 0 1 242.706 2.030 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(CF)cc1 ZINC000820015466 587013090 /nfs/dbraw/zinc/01/30/90/587013090.db2.gz VKAFWINXNZSMLS-UHFFFAOYSA-N 0 1 239.290 2.451 20 0 BEADMN O[C@@H]1CC[C@H]2CCN(CC=C(Cl)Cl)[C@@H]12 ZINC000860131290 589081437 /nfs/dbraw/zinc/08/14/37/589081437.db2.gz KHWFTSGNGLNJHH-QXFUBDJGSA-N 0 1 236.142 2.151 20 0 BEADMN CC[C@H]1CCC[C@@H](NC(=O)CN2CCCC2)C1 ZINC000820211164 587035079 /nfs/dbraw/zinc/03/50/79/587035079.db2.gz XVDAWNASXQQWNX-QWHCGFSZSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@H]1CCC[C@H](NC(=O)CN2CCCC2)C1 ZINC000820211165 587035143 /nfs/dbraw/zinc/03/51/43/587035143.db2.gz XVDAWNASXQQWNX-STQMWFEESA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H]1CCC[C@@H](NC(=O)CN2CCCC2)C1 ZINC000820211162 587035371 /nfs/dbraw/zinc/03/53/71/587035371.db2.gz XVDAWNASXQQWNX-CHWSQXEVSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H]1CN(C(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000820527126 587052847 /nfs/dbraw/zinc/05/28/47/587052847.db2.gz NMUPPGSAQZHZDE-NEPJUHHUSA-N 0 1 238.375 2.118 20 0 BEADMN C[N@H+](CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000820569465 587055423 /nfs/dbraw/zinc/05/54/23/587055423.db2.gz RCPGGEJPZXWJRW-UHFFFAOYSA-N 0 1 237.230 2.088 20 0 BEADMN C[N@@H+](CC(=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000820569465 587055425 /nfs/dbraw/zinc/05/54/25/587055425.db2.gz RCPGGEJPZXWJRW-UHFFFAOYSA-N 0 1 237.230 2.088 20 0 BEADMN C[N@H+](C/C=C\c1ccc(F)cc1)CCC(=O)[O-] ZINC000820580044 587055930 /nfs/dbraw/zinc/05/59/30/587055930.db2.gz QUFUKKVEZHDLDM-IHWYPQMZSA-N 0 1 237.274 2.245 20 0 BEADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1cnnn1C ZINC000820805912 587073391 /nfs/dbraw/zinc/07/33/91/587073391.db2.gz VACMHWDKPKGKGD-ZWNOBZJWSA-N 0 1 242.326 2.153 20 0 BEADMN COc1cc([C@H](C)NC[C@@H](C)SC)on1 ZINC000820830229 587075443 /nfs/dbraw/zinc/07/54/43/587075443.db2.gz QDRJGVAEJCPVDY-SFYZADRCSA-N 0 1 230.333 2.085 20 0 BEADMN COc1cc([C@@H](C)NC[C@H](C)SC)on1 ZINC000820830228 587075605 /nfs/dbraw/zinc/07/56/05/587075605.db2.gz QDRJGVAEJCPVDY-JGVFFNPUSA-N 0 1 230.333 2.085 20 0 BEADMN CCC(C)(CC)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820854647 587077313 /nfs/dbraw/zinc/07/73/13/587077313.db2.gz XIWZXOBVXYUGGU-UHFFFAOYSA-N 0 1 249.318 2.128 20 0 BEADMN COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)[O-])[C@@H]2C ZINC000820853574 587077565 /nfs/dbraw/zinc/07/75/65/587077565.db2.gz MHJQJKOVTFFVDY-NXEZZACHSA-N 0 1 249.310 2.087 20 0 BEADMN COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)[O-])c1 ZINC000820865563 587078525 /nfs/dbraw/zinc/07/85/25/587078525.db2.gz RSVIQBZVERPZTR-GXFFZTMASA-N 0 1 249.310 2.163 20 0 BEADMN CCCC[C@@](C)(F)C(=O)NCc1cn[nH]c1C ZINC000820977982 587085908 /nfs/dbraw/zinc/08/59/08/587085908.db2.gz WKDFJZIYSFIEKB-GFCCVEGCSA-N 0 1 241.310 2.253 20 0 BEADMN Cc1cccc(C)c1CNC(=O)CN1CCCC1 ZINC000821018986 587088968 /nfs/dbraw/zinc/08/89/68/587088968.db2.gz HIXVOKCGZHUYKH-UHFFFAOYSA-N 0 1 246.354 2.015 20 0 BEADMN CC/C(C)=C(\C)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840424229 587101169 /nfs/dbraw/zinc/10/11/69/587101169.db2.gz LNGSGHFJOHIGGW-FLOXNTQESA-N 0 1 237.303 2.464 20 0 BEADMN CCC[C@H](CC)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000821479989 587121479 /nfs/dbraw/zinc/12/14/79/587121479.db2.gz ALKFAAHZVFHKAT-UPJWGTAASA-N 0 1 240.391 2.364 20 0 BEADMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000821511658 587124253 /nfs/dbraw/zinc/12/42/53/587124253.db2.gz OUHDPLDYMDTEIS-GFCCVEGCSA-N 0 1 237.274 2.063 20 0 BEADMN O=C([O-])[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000821511249 587124312 /nfs/dbraw/zinc/12/43/12/587124312.db2.gz DWGSLKTXQANDFE-ISUDXETCSA-N 0 1 249.285 2.245 20 0 BEADMN CC(C)[C@H](C(=O)O[C@@H]1CCC1(C)C)N(C)C ZINC000821834608 587142091 /nfs/dbraw/zinc/14/20/91/587142091.db2.gz XVHVMTMIZCXZTJ-GHMZBOCLSA-N 0 1 227.348 2.304 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)[C@@H]2CCCC23CC3)n[nH]1 ZINC000860176038 589087210 /nfs/dbraw/zinc/08/72/10/589087210.db2.gz MIDBETWWGIYJJQ-SCZZXKLOSA-N 0 1 249.314 2.298 20 0 BEADMN COC(=O)C1C[C@H](C)N(C/C=C/Cl)[C@@H](C)C1 ZINC000860184084 589088109 /nfs/dbraw/zinc/08/81/09/589088109.db2.gz BFTLXQGCZSULIT-AWAZDUCLSA-N 0 1 245.750 2.401 20 0 BEADMN COC1CC(N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000822497924 587171989 /nfs/dbraw/zinc/17/19/89/587171989.db2.gz OLUBXGOPHLTTPU-HOAMVYINSA-N 0 1 235.302 2.391 20 0 BEADMN CO[C@@H](CN(C)Cc1c(C)noc1C)C1CC1 ZINC000822580478 587176159 /nfs/dbraw/zinc/17/61/59/587176159.db2.gz YPUMPSPGODTRKI-ZDUSSCGKSA-N 0 1 238.331 2.148 20 0 BEADMN CCC[C@H](CC)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000822903492 587192282 /nfs/dbraw/zinc/19/22/82/587192282.db2.gz KZTZVRGVDWNBIQ-SCZZXKLOSA-N 0 1 238.335 2.117 20 0 BEADMN CC(C)(C)C1CC(NC(=O)CN2CCCC2)C1 ZINC000823174786 587206600 /nfs/dbraw/zinc/20/66/00/587206600.db2.gz UPPJXEDNNSOODG-UHFFFAOYSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CC)C(=O)N1CCN(C)C[C@H]1CC ZINC000823196707 587208411 /nfs/dbraw/zinc/20/84/11/587208411.db2.gz BLDGFXXBDAHWOV-QWHCGFSZSA-N 0 1 240.391 2.365 20 0 BEADMN CCc1cc(CNC(=O)[C@@H]2CCC[C@@H]2CC)n[nH]1 ZINC000823286113 587213427 /nfs/dbraw/zinc/21/34/27/587213427.db2.gz BXGYTPPYQMSQCI-GXFFZTMASA-N 0 1 249.358 2.415 20 0 BEADMN CCc1cc(CNC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n[nH]1 ZINC000823287338 587213887 /nfs/dbraw/zinc/21/38/87/587213887.db2.gz XZEIPFNEGKSLLX-OUJBWJOFSA-N 0 1 247.342 2.025 20 0 BEADMN O=C(CN1CCCC1)N1CCCCCCCC1 ZINC000823386595 587219086 /nfs/dbraw/zinc/21/90/86/587219086.db2.gz YLZZTKQGLUKCJN-UHFFFAOYSA-N 0 1 238.375 2.265 20 0 BEADMN CCn1nc(C)c(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000823428344 587221026 /nfs/dbraw/zinc/22/10/26/587221026.db2.gz FNASZTNXDAYJOS-PWSUYJOCSA-N 0 1 236.363 2.227 20 0 BEADMN CCn1nc(C)c(CN(CC2CC2)CC2CC2)n1 ZINC000823459151 587223841 /nfs/dbraw/zinc/22/38/41/587223841.db2.gz QISLLXGGEITIAV-UHFFFAOYSA-N 0 1 248.374 2.228 20 0 BEADMN CCn1nc(C)c(CN(C(C)C)C2CCC2)n1 ZINC000823465437 587224000 /nfs/dbraw/zinc/22/40/00/587224000.db2.gz YEJDSBVSFLBBOW-UHFFFAOYSA-N 0 1 236.363 2.369 20 0 BEADMN CCCOC(=O)[C@@H](C)N1CC[C@@H](C)C[C@H]1C ZINC000823515273 587228629 /nfs/dbraw/zinc/22/86/29/587228629.db2.gz DSSYIAYFFUSXJV-IJLUTSLNSA-N 0 1 227.348 2.449 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)C1(C)CC=CC1 ZINC000823635124 587233663 /nfs/dbraw/zinc/23/36/63/587233663.db2.gz SBPVRCHMIHOZRV-UHFFFAOYSA-N 0 1 233.315 2.033 20 0 BEADMN CCCC1(CNCc2nn(CC)nc2C)CC1 ZINC000824006820 587248127 /nfs/dbraw/zinc/24/81/27/587248127.db2.gz LAGSUROIPLBANE-UHFFFAOYSA-N 0 1 236.363 2.276 20 0 BEADMN Cc1[nH]ncc1CN(C)C(=O)/C=C\C(C)(C)C ZINC000824051171 587251818 /nfs/dbraw/zinc/25/18/18/587251818.db2.gz PZCDAMCBDKYUAG-SREVYHEPSA-N 0 1 235.331 2.279 20 0 BEADMN CO[C@@H](C)[C@H](C)NCc1ccnc(Cl)c1F ZINC000824249811 587262869 /nfs/dbraw/zinc/26/28/69/587262869.db2.gz CDXRFBQVHCEEFC-YUMQZZPRSA-N 0 1 246.713 2.387 20 0 BEADMN CCOC[C@H](C)NCc1cc(F)cnc1Cl ZINC000824537337 587274532 /nfs/dbraw/zinc/27/45/32/587274532.db2.gz BDDMRLFZJYKDTA-QMMMGPOBSA-N 0 1 246.713 2.389 20 0 BEADMN C[C@@H](O)c1ncc(CN2CC[C@@H]2C2CC2)s1 ZINC000824651371 587280640 /nfs/dbraw/zinc/28/06/40/587280640.db2.gz ZERNEWAXFUDPMJ-LDYMZIIASA-N 0 1 238.356 2.181 20 0 BEADMN CS[C@@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000824683547 587282784 /nfs/dbraw/zinc/28/27/84/587282784.db2.gz ONDCZMXYLLFDSV-SNVBAGLBSA-N 0 1 226.320 2.158 20 0 BEADMN CC/C=C\CNCc1cnc([C@@H](C)O)s1 ZINC000824709132 587283986 /nfs/dbraw/zinc/28/39/86/587283986.db2.gz NGXQPDGHXVIMFT-XRVBUDJMSA-N 0 1 226.345 2.252 20 0 BEADMN Cc1cc(CN2CC[C@@](O)(C(F)F)C2)c(C)o1 ZINC000824726469 587284325 /nfs/dbraw/zinc/28/43/25/587284325.db2.gz NAPGPKMKXDTCCY-LBPRGKRZSA-N 0 1 245.269 2.098 20 0 BEADMN C[C@@H](CCNC(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000824802356 587287848 /nfs/dbraw/zinc/28/78/48/587287848.db2.gz KGMHFVKBDQIEFX-NSHDSACASA-N 0 1 236.315 2.165 20 0 BEADMN COc1cncc(CN2CC[C@H]2C(C)C)c1 ZINC000825038005 587300040 /nfs/dbraw/zinc/30/00/40/587300040.db2.gz NENKLABOMINKJZ-ZDUSSCGKSA-N 0 1 220.316 2.321 20 0 BEADMN c1nc(C2CC2)oc1CNC[C@H]1CCC=CO1 ZINC000825175925 587307637 /nfs/dbraw/zinc/30/76/37/587307637.db2.gz WCUXEEOGHLWLBG-LLVKDONJSA-N 0 1 234.299 2.334 20 0 BEADMN CC(C)(F)CCNC(=O)c1cccc(F)c1O ZINC000825257979 587311268 /nfs/dbraw/zinc/31/12/68/587311268.db2.gz PLWPQKXJGNVNJS-UHFFFAOYSA-N 0 1 243.253 2.399 20 0 BEADMN CC(C(=O)N1CCN(CC2CC2)CC1)=C1CCC1 ZINC000825363997 587317166 /nfs/dbraw/zinc/31/71/66/587317166.db2.gz LMAHTAVOMDDXGD-UHFFFAOYSA-N 0 1 248.370 2.041 20 0 BEADMN C[C@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)[O-] ZINC000825629356 587327905 /nfs/dbraw/zinc/32/79/05/587327905.db2.gz CAAVUJVAKXJWRE-SECBINFHSA-N 0 1 240.278 2.086 20 0 BEADMN C/C(=C\C[N@H+](C)[C@H](C)c1cccc(O)c1)C(=O)[O-] ZINC000825729695 587334625 /nfs/dbraw/zinc/33/46/25/587334625.db2.gz KUJREZMTZQPUTB-PFEDMVJOSA-N 0 1 249.310 2.416 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccc[nH]1)C(=O)[O-] ZINC000825742010 587335583 /nfs/dbraw/zinc/33/55/83/587335583.db2.gz VCMXFJAOBFCJTG-GCZGVDRJSA-N 0 1 234.299 2.183 20 0 BEADMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCNC(=O)[O-] ZINC000825778422 587338926 /nfs/dbraw/zinc/33/89/26/587338926.db2.gz MYDVSMWBTOUQLO-DGCLKSJQSA-N 0 1 248.326 2.132 20 0 BEADMN C[C@@H]1[C@@H](C)CC[N@H+]1CC1CCN(C(=O)[O-])CC1 ZINC000825950328 587346889 /nfs/dbraw/zinc/34/68/89/587346889.db2.gz FWXWAXOQLIXHSR-WDEREUQCSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)[C@@H]1C ZINC000825944011 587346981 /nfs/dbraw/zinc/34/69/81/587346981.db2.gz JITSNZHGVBFEFY-IJLUTSLNSA-N 0 1 240.347 2.107 20 0 BEADMN CCCC[C@@](C)(F)C(=O)N[C@H]1CCCN(C)C1 ZINC000826599705 587356366 /nfs/dbraw/zinc/35/63/66/587356366.db2.gz MPDYWKBLLVTFDA-WCQYABFASA-N 0 1 244.354 2.115 20 0 BEADMN CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCN(C(=O)[O-])C1 ZINC000826660099 587358153 /nfs/dbraw/zinc/35/81/53/587358153.db2.gz IUVJMFCHTNYACJ-IJLUTSLNSA-N 0 1 240.347 2.107 20 0 BEADMN CC[C@H]1CC[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000826675344 587358838 /nfs/dbraw/zinc/35/88/38/587358838.db2.gz JHNSSHDSWYMGFU-NSHDSACASA-N 0 1 240.347 2.108 20 0 BEADMN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[O-] ZINC000826748161 587360890 /nfs/dbraw/zinc/36/08/90/587360890.db2.gz XGNOGHJXNCUEQL-CQSZACIVSA-N 0 1 233.311 2.326 20 0 BEADMN CCCCC[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000826826216 587363439 /nfs/dbraw/zinc/36/34/39/587363439.db2.gz PQZVQDHALSGODB-LLVKDONJSA-N 0 1 228.336 2.251 20 0 BEADMN CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826837313 587363677 /nfs/dbraw/zinc/36/36/77/587363677.db2.gz XBGKFIZQYJKPGZ-GHMZBOCLSA-N 0 1 228.336 2.155 20 0 BEADMN COCCN(CCF)CC1(OC)CCCCC1 ZINC000827054371 587369189 /nfs/dbraw/zinc/36/91/89/587369189.db2.gz RLVAZBIQCZJTME-UHFFFAOYSA-N 0 1 247.354 2.254 20 0 BEADMN C[C@@H](C[N@@H+](CCF)Cc1ccccc1)C(=O)[O-] ZINC000827450259 587381937 /nfs/dbraw/zinc/38/19/37/587381937.db2.gz UQIHYKPQKSATTA-NSHDSACASA-N 0 1 239.290 2.179 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000827990065 587415480 /nfs/dbraw/zinc/41/54/80/587415480.db2.gz FDGBBKWRKVCUGJ-CQSZACIVSA-N 0 1 239.359 2.104 20 0 BEADMN C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828174622 587423232 /nfs/dbraw/zinc/42/32/32/587423232.db2.gz FFKRGCFNNQHVSG-GFCCVEGCSA-N 0 1 240.347 2.251 20 0 BEADMN CC(C(=O)N1C[C@H](C)N(C)C[C@@H]1C)=C1CCC1 ZINC000828248871 587427590 /nfs/dbraw/zinc/42/75/90/587427590.db2.gz QHMFAIJWHNHJJV-QWRGUYRKSA-N 0 1 236.359 2.038 20 0 BEADMN CC(C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)=C1CCC1 ZINC000828248869 587427767 /nfs/dbraw/zinc/42/77/67/587427767.db2.gz QHMFAIJWHNHJJV-MNOVXSKESA-N 0 1 236.359 2.038 20 0 BEADMN C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828274206 587430453 /nfs/dbraw/zinc/43/04/53/587430453.db2.gz UCYROISOVODXGD-SNVBAGLBSA-N 0 1 228.336 2.107 20 0 BEADMN OCC[C@@H](NCc1csc(Cl)n1)C1CC1 ZINC000828823161 587464175 /nfs/dbraw/zinc/46/41/75/587464175.db2.gz XBKNSZBNLIEQDT-SECBINFHSA-N 0 1 246.763 2.047 20 0 BEADMN CC(C(=O)NCCN1CC=C(C)CC1)=C1CCC1 ZINC000829328513 587493031 /nfs/dbraw/zinc/49/30/31/587493031.db2.gz WWBPEFVEDVIWKZ-UHFFFAOYSA-N 0 1 248.370 2.255 20 0 BEADMN CC(C)CC(=O)CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829579937 587504309 /nfs/dbraw/zinc/50/43/09/587504309.db2.gz NKKSLXCHMSSNAC-OCCSQVGLSA-N 0 1 239.359 2.103 20 0 BEADMN Cc1nc(COC(=O)[C@H]2CCC(C)=C(C)C2)n[nH]1 ZINC000829815735 587519468 /nfs/dbraw/zinc/51/94/68/587519468.db2.gz SHUDPYFWNSFUMO-NSHDSACASA-N 0 1 249.314 2.293 20 0 BEADMN CCC(=O)CCN1CCC[C@](C)(F)C1 ZINC000830212112 587541203 /nfs/dbraw/zinc/54/12/03/587541203.db2.gz JZJLKSUSFAMDLL-NSHDSACASA-N 0 1 201.285 2.180 20 0 BEADMN Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830308778 587545241 /nfs/dbraw/zinc/54/52/41/587545241.db2.gz MXXRPSISGRAWAW-ZDUSSCGKSA-N 0 1 248.326 2.179 20 0 BEADMN Cc1cc[nH+]c(N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000830612072 587560042 /nfs/dbraw/zinc/56/00/42/587560042.db2.gz TUHPENYFFIVDGS-MNOVXSKESA-N 0 1 249.314 2.238 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000830606879 587560119 /nfs/dbraw/zinc/56/01/19/587560119.db2.gz FUQFIWBHIQICKQ-QWRGUYRKSA-N 0 1 249.314 2.015 20 0 BEADMN Cc1cc[nH+]c(N2CC[C@@H](NC(=O)[O-])C[C@H]2C)c1 ZINC000830606877 587560173 /nfs/dbraw/zinc/56/01/73/587560173.db2.gz FUQFIWBHIQICKQ-GHMZBOCLSA-N 0 1 249.314 2.015 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC000830622384 587560812 /nfs/dbraw/zinc/56/08/12/587560812.db2.gz MUHUSFDWUDUBJF-QMMMGPOBSA-N 0 1 249.314 2.298 20 0 BEADMN Cc1nc([C@@H](C)OC(=O)C2CC3(CCC3)C2)n[nH]1 ZINC000830622379 587561024 /nfs/dbraw/zinc/56/10/24/587561024.db2.gz MUHUSFDWUDUBJF-MRVPVSSYSA-N 0 1 249.314 2.298 20 0 BEADMN CCc1nc(COC(=O)/C=C\C2CCCC2)n[nH]1 ZINC000830787834 587570374 /nfs/dbraw/zinc/57/03/74/587570374.db2.gz KARNUTGXVIDHMA-FPLPWBNLSA-N 0 1 249.314 2.157 20 0 BEADMN C[C@@H]1CN(C(=O)OC2CCCC2)[C@H](C)CN1C ZINC000831009782 587582564 /nfs/dbraw/zinc/58/25/64/587582564.db2.gz GJYNNCCKLBRJDA-GHMZBOCLSA-N 0 1 240.347 2.090 20 0 BEADMN CCON(CC)C(=O)c1cn[nH]c1C(C)(C)C ZINC000831458183 587609713 /nfs/dbraw/zinc/60/97/13/587609713.db2.gz GBWDMUWPPUUKAP-UHFFFAOYSA-N 0 1 239.319 2.121 20 0 BEADMN CC[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697819 587678320 /nfs/dbraw/zinc/67/83/20/587678320.db2.gz HVJVTPTUKUJUCP-UHFFFAOYSA-N 0 1 242.363 2.338 20 0 BEADMN CCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832697819 587678322 /nfs/dbraw/zinc/67/83/22/587678322.db2.gz HVJVTPTUKUJUCP-UHFFFAOYSA-N 0 1 242.363 2.338 20 0 BEADMN CC1(C)CN(C/C=C/Cl)[C@@H]2COC[C@@H]21 ZINC000832768620 587687800 /nfs/dbraw/zinc/68/78/00/587687800.db2.gz IXDSOKCRFQJDIW-FCVPOFOPSA-N 0 1 215.724 2.096 20 0 BEADMN O=C([O-])[C@@]1(F)CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000833174174 587700822 /nfs/dbraw/zinc/70/08/22/587700822.db2.gz CBVJHYBLPRPRHM-HJHHMULASA-N 0 1 249.285 2.198 20 0 BEADMN O=C([O-])[C@H](c1ccccc1F)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000833172621 587700874 /nfs/dbraw/zinc/70/08/74/587700874.db2.gz KNDQCHOFUPWYFJ-XDTLVQLUSA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000833172960 587701004 /nfs/dbraw/zinc/70/10/04/587701004.db2.gz YAYBYYULHWDNQG-UHTWSYAYSA-N 0 1 249.285 2.436 20 0 BEADMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCF ZINC000833180073 587701349 /nfs/dbraw/zinc/70/13/49/587701349.db2.gz TZXSMNAGXFWEKE-NWDGAFQWSA-N 0 1 243.322 2.311 20 0 BEADMN C/C(=C\C[N@H+]1CCC[C@@H]1c1ccncc1)C(=O)[O-] ZINC000833385485 587712234 /nfs/dbraw/zinc/71/22/34/587712234.db2.gz VTLLNFIQLPWNFX-ASJRZHAZSA-N 0 1 246.310 2.249 20 0 BEADMN CC1(C)CCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833560588 587719941 /nfs/dbraw/zinc/71/99/41/587719941.db2.gz QWJZMLPMUBQYBB-UHFFFAOYSA-N 0 1 222.288 2.087 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C(C)C)C2CC2)O1 ZINC000833578245 587720922 /nfs/dbraw/zinc/72/09/22/587720922.db2.gz TUOPAKWSRHSDPO-LLVKDONJSA-N 0 1 239.315 2.007 20 0 BEADMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)[C@@H](C)C(C)C)O1 ZINC000833576409 587721290 /nfs/dbraw/zinc/72/12/90/587721290.db2.gz JOYMGOTXIILASQ-GXSJLCMTSA-N 0 1 241.331 2.110 20 0 BEADMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833602696 587723258 /nfs/dbraw/zinc/72/32/58/587723258.db2.gz KNAIHPQUAIQPQG-VHSXEESVSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@@H]1CCC[N@@H+](Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1C ZINC000833613212 587724521 /nfs/dbraw/zinc/72/45/21/587724521.db2.gz FONQEDZYSNJVFX-NXEZZACHSA-N 0 1 236.315 2.333 20 0 BEADMN C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)[O-] ZINC000833631155 587725721 /nfs/dbraw/zinc/72/57/21/587725721.db2.gz ACCYGTDDBYYDDU-IUCAKERBSA-N 0 1 237.274 2.218 20 0 BEADMN CC[N@@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C1CCC1 ZINC000833654109 587726944 /nfs/dbraw/zinc/72/69/44/587726944.db2.gz BNQXCLKUUFLWBZ-LLVKDONJSA-N 0 1 239.315 2.008 20 0 BEADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(C)(C)C ZINC000833835486 587735626 /nfs/dbraw/zinc/73/56/26/587735626.db2.gz ZWBGMAKUWPUIKZ-MNOVXSKESA-N 0 1 242.363 2.401 20 0 BEADMN CC[N@@H+](CCC1CCN(C(=O)[O-])CC1)C1CC1 ZINC000833857604 587736283 /nfs/dbraw/zinc/73/62/83/587736283.db2.gz OLZAVSAEWMCCAR-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN O=C([O-])N1CCC[C@H]1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000834111819 587746198 /nfs/dbraw/zinc/74/61/98/587746198.db2.gz XDIGQPJWFFMEDE-NWDGAFQWSA-N 0 1 238.331 2.003 20 0 BEADMN O=C([O-])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000834221905 587749079 /nfs/dbraw/zinc/74/90/79/587749079.db2.gz UTJFPHACAIDDLU-NSHDSACASA-N 0 1 226.320 2.051 20 0 BEADMN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H]1OC ZINC000834542878 587759008 /nfs/dbraw/zinc/75/90/08/587759008.db2.gz AUDRBSWGACOYJF-TUAOUCFPSA-N 0 1 237.347 2.121 20 0 BEADMN CCc1nc(CN[C@H](C)[C@]2(C)CCCO2)co1 ZINC000834900620 587769547 /nfs/dbraw/zinc/76/95/47/587769547.db2.gz WEABXWWADQMNJO-MFKMUULPSA-N 0 1 238.331 2.284 20 0 BEADMN CCc1nc(COC(=O)CCCC(C)C)n[nH]1 ZINC000835291719 587794917 /nfs/dbraw/zinc/79/49/17/587794917.db2.gz PPLLBALSKADXOM-UHFFFAOYSA-N 0 1 239.319 2.237 20 0 BEADMN CC/C(C)=C\C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000835457485 587803310 /nfs/dbraw/zinc/80/33/10/587803310.db2.gz IKIPTOVQHPJMNS-TWGQIWQCSA-N 0 1 237.303 2.328 20 0 BEADMN CC/C(C)=C\C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000835457485 587803311 /nfs/dbraw/zinc/80/33/11/587803311.db2.gz IKIPTOVQHPJMNS-TWGQIWQCSA-N 0 1 237.303 2.328 20 0 BEADMN O=C(CCc1nc[nH]n1)OCCC1=CCCCC1 ZINC000835719922 587814579 /nfs/dbraw/zinc/81/45/79/587814579.db2.gz VFODUDLGZLVVIS-UHFFFAOYSA-N 0 1 249.314 2.171 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836948585 587843800 /nfs/dbraw/zinc/84/38/00/587843800.db2.gz RTTJUMTVFXQHMW-RPHSKFLZSA-N 0 1 238.375 2.285 20 0 BEADMN C/C=C(/CC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000837006085 587847298 /nfs/dbraw/zinc/84/72/98/587847298.db2.gz ZMLJABRVIOUTPP-UHJIQDEKSA-N 0 1 238.375 2.285 20 0 BEADMN C[C@H](NC[C@H]1CCC=CO1)c1cc2n(n1)CCC2 ZINC000840747776 587919708 /nfs/dbraw/zinc/91/97/08/587919708.db2.gz XSPOGDSQLVJBFS-WCQYABFASA-N 0 1 247.342 2.173 20 0 BEADMN CC1(C)CN(C[C@H](O)C2CC2)[C@H]1c1cccnc1 ZINC000840766287 587920676 /nfs/dbraw/zinc/92/06/76/587920676.db2.gz LRIIQNIAMNLXRT-KBPBESRZSA-N 0 1 246.354 2.235 20 0 BEADMN Oc1c(F)c(F)ccc1NC(=S)NC1CC1 ZINC000840839803 587924628 /nfs/dbraw/zinc/92/46/28/587924628.db2.gz UBKQXTPPSIKHIG-UHFFFAOYSA-N 0 1 244.266 2.119 20 0 BEADMN CCn1nccc1CNc1nccn1C1CC1 ZINC000840886759 587928196 /nfs/dbraw/zinc/92/81/96/587928196.db2.gz BHUPDTPUOQHUTH-UHFFFAOYSA-N 0 1 231.303 2.047 20 0 BEADMN CC[N@@H+](CN1CC(F)(F)CC1=O)[C@@H](C)C(C)C ZINC000841674077 587971406 /nfs/dbraw/zinc/97/14/06/587971406.db2.gz ASCOTCZIZDQVEE-JTQLQIEISA-N 0 1 248.317 2.178 20 0 BEADMN Cc1cncc(CON=C(N)C(C)C)c1 ZINC000842038078 587992126 /nfs/dbraw/zinc/99/21/26/587992126.db2.gz ACCPAEHCFYFFOC-UHFFFAOYSA-N 0 1 207.277 2.044 20 0 BEADMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOC1CCC1 ZINC000842048632 587993040 /nfs/dbraw/zinc/99/30/40/587993040.db2.gz JEGHOXGTUVDWIB-GHMZBOCLSA-N 0 1 239.363 2.300 20 0 BEADMN CC[C@H](CN(C)Cc1c(C)noc1C)OC ZINC000842147934 588003358 /nfs/dbraw/zinc/00/33/58/588003358.db2.gz NIVRZJFYADZIEE-LLVKDONJSA-N 0 1 226.320 2.148 20 0 BEADMN CC[C@@H]1C[C@H]1CN[C@H](C)c1nc(C)no1 ZINC000842153911 588004250 /nfs/dbraw/zinc/00/42/50/588004250.db2.gz PLFQAPNFGKMCHT-QNSHHTMESA-N 0 1 209.293 2.075 20 0 BEADMN FCCN1CCSC[C@H]1C1CCC1 ZINC000842170464 588006027 /nfs/dbraw/zinc/00/60/27/588006027.db2.gz GQTXCNBDZRPAJR-JTQLQIEISA-N 0 1 203.326 2.173 20 0 BEADMN CCCN(C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842594820 588044779 /nfs/dbraw/zinc/04/47/79/588044779.db2.gz PVOYQBNZULGCEU-CYBMUJFWSA-N 0 1 238.375 2.324 20 0 BEADMN CCC[C@](C)(O)c1nc([C@H](N)CC(C)C)no1 ZINC000842587079 588044944 /nfs/dbraw/zinc/04/49/44/588044944.db2.gz VLHXVBRDFUIYFE-SKDRFNHKSA-N 0 1 241.335 2.123 20 0 BEADMN CN(CCC(C)(C)C)CN1C(=O)CC12CCC2 ZINC000842631070 588046893 /nfs/dbraw/zinc/04/68/93/588046893.db2.gz KMNRJWGEJFELDM-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN C[C@H]1CC(=O)N(CN(C)CCC(C)(C)C)C1 ZINC000842630402 588046946 /nfs/dbraw/zinc/04/69/46/588046946.db2.gz FBKVFWNASISNIE-NSHDSACASA-N 0 1 226.364 2.180 20 0 BEADMN C[C@H](c1nc([C@H]2CCCN2)no1)c1ccccn1 ZINC000842637079 588047874 /nfs/dbraw/zinc/04/78/74/588047874.db2.gz QEUCDYTVMUQWDW-GXSJLCMTSA-N 0 1 244.298 2.041 20 0 BEADMN C[C@@H](Cc1nc([C@@H]2CCCN2)no1)C1CC1 ZINC000842642559 588048050 /nfs/dbraw/zinc/04/80/50/588048050.db2.gz UGFTWFIDEWBXJK-WPRPVWTQSA-N 0 1 221.304 2.083 20 0 BEADMN CCC(N)=NOCCCN(C)c1ccccc1 ZINC000842648390 588048907 /nfs/dbraw/zinc/04/89/07/588048907.db2.gz SAOWNSDHQXCAAY-UHFFFAOYSA-N 0 1 235.331 2.421 20 0 BEADMN CC[C@H](C)C[C@@H](CO)NCc1nc(C)cs1 ZINC000842755514 588059515 /nfs/dbraw/zinc/05/95/15/588059515.db2.gz FWVZWOAYKCHOES-ONGXEEELSA-N 0 1 242.388 2.338 20 0 BEADMN C/C=C(/C)COC(=O)[C@H](C(C)C)N(C)C ZINC000842843231 588067894 /nfs/dbraw/zinc/06/78/94/588067894.db2.gz DPKDUHSNSBGBTH-BRNRAETOSA-N 0 1 213.321 2.082 20 0 BEADMN C/C=C(\C)COC(=O)[C@H](C(C)C)N(C)C ZINC000842843232 588067636 /nfs/dbraw/zinc/06/76/36/588067636.db2.gz DPKDUHSNSBGBTH-HUYFXPKMSA-N 0 1 213.321 2.082 20 0 BEADMN CS[C@H](C)CCc1nc([C@H](N)C(C)C)no1 ZINC000843151713 588087346 /nfs/dbraw/zinc/08/73/46/588087346.db2.gz OZZRFISDOALXEV-PSASIEDQSA-N 0 1 243.376 2.410 20 0 BEADMN CC(C)[C@H](N)c1noc([C@H](C)c2ccco2)n1 ZINC000843149408 588087357 /nfs/dbraw/zinc/08/73/57/588087357.db2.gz MPCMOHFWQLAUAS-SCZZXKLOSA-N 0 1 235.287 2.470 20 0 BEADMN CC(C)[C@H](N)c1noc([C@@H](C)OCC2CC2)n1 ZINC000843149720 588087700 /nfs/dbraw/zinc/08/77/00/588087700.db2.gz OWMCIDPESJPWDF-SCZZXKLOSA-N 0 1 239.319 2.213 20 0 BEADMN Cc1ccc(Cc2nc([C@H](N)C(C)C)no2)cn1 ZINC000843150903 588087872 /nfs/dbraw/zinc/08/78/72/588087872.db2.gz WKTIIVSXZJAQJI-GFCCVEGCSA-N 0 1 246.314 2.020 20 0 BEADMN CCc1ccccc1-c1noc(CNC)n1 ZINC000843177635 588089489 /nfs/dbraw/zinc/08/94/89/588089489.db2.gz OPTAGVRIOKCMKN-UHFFFAOYSA-N 0 1 217.272 2.018 20 0 BEADMN CCCN[C@H](C)c1nc(CCCCOC)no1 ZINC000843185577 588090547 /nfs/dbraw/zinc/09/05/47/588090547.db2.gz WGRDDHVLKVEMIA-SNVBAGLBSA-N 0 1 241.335 2.099 20 0 BEADMN C[C@@H]1C[C@@H](NCc2ccnc(Cl)c2F)CO1 ZINC000843431667 588109014 /nfs/dbraw/zinc/10/90/14/588109014.db2.gz BEQPJHULPRVJDH-VXNVDRBHSA-N 0 1 244.697 2.141 20 0 BEADMN CCCONC(=O)[C@]1(C)CCc2ccccc21 ZINC000844089098 588166267 /nfs/dbraw/zinc/16/62/67/588166267.db2.gz JYUPKWABGAEEBS-CQSZACIVSA-N 0 1 233.311 2.348 20 0 BEADMN CCC(=O)CCN1C[C@@H](CC)OC[C@@H]1CC ZINC000844387845 588188779 /nfs/dbraw/zinc/18/87/79/588188779.db2.gz UCMNWXNVKCOYJT-WCQYABFASA-N 0 1 227.348 2.245 20 0 BEADMN Cn1ccc(CN2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000844439525 588194110 /nfs/dbraw/zinc/19/41/10/588194110.db2.gz JAXURYNXTANFOS-LLVKDONJSA-N 0 1 241.285 2.041 20 0 BEADMN C[C@@H](c1cccnc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451742 588195465 /nfs/dbraw/zinc/19/54/65/588195465.db2.gz PCPTWBGRIUOJTF-INTQDDNPSA-N 0 1 224.254 2.340 20 0 BEADMN Fc1ccc(CN2CC[C@]3(CC3(F)F)C2)nc1 ZINC000844467860 588197821 /nfs/dbraw/zinc/19/78/21/588197821.db2.gz IZOQLGCZMZVJKK-NSHDSACASA-N 0 1 242.244 2.452 20 0 BEADMN CC(C)=C(C)C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844642430 588211931 /nfs/dbraw/zinc/21/19/31/588211931.db2.gz IYLGIDCMYGFUIG-RTXFEEFZSA-N 0 1 238.375 2.282 20 0 BEADMN CC(C)CCN(C)CN1C(=O)CC12CCCC2 ZINC000844686081 588213843 /nfs/dbraw/zinc/21/38/43/588213843.db2.gz IBDPLUSBPZQBFZ-UHFFFAOYSA-N 0 1 238.375 2.467 20 0 BEADMN CCCC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845738410 588243114 /nfs/dbraw/zinc/24/31/14/588243114.db2.gz NHHDGRQOTUFBJQ-SNVBAGLBSA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccco1 ZINC000845740757 588243508 /nfs/dbraw/zinc/24/35/08/588243508.db2.gz SQLWLTLSEHLUEL-SNVBAGLBSA-N 0 1 237.299 2.309 20 0 BEADMN CC[C@@H]1CN(C[C@H]2CCC=CO2)[C@@H](C)CO1 ZINC000846043219 588254700 /nfs/dbraw/zinc/25/47/00/588254700.db2.gz JKVLQVIKLRKQGL-YNEHKIRRSA-N 0 1 225.332 2.178 20 0 BEADMN Fc1ccc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC000846117029 588257837 /nfs/dbraw/zinc/25/78/37/588257837.db2.gz LZFFUXFBOCTIFN-NSHDSACASA-N 0 1 242.244 2.452 20 0 BEADMN O=C([O-])[C@H](C1CC1)[N@H+]1CCc2c(F)cccc2C1 ZINC000846247223 588262560 /nfs/dbraw/zinc/26/25/60/588262560.db2.gz WSBXRXMKKFPXAY-ZDUSSCGKSA-N 0 1 249.285 2.047 20 0 BEADMN CC[N@@H+](C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000846244295 588262570 /nfs/dbraw/zinc/26/25/70/588262570.db2.gz PEJYKJBXMWJFQV-UHFFFAOYSA-N 0 1 227.691 2.490 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@H](C)C(C)(C)C1)C(=O)[O-] ZINC000846259244 588262970 /nfs/dbraw/zinc/26/29/70/588262970.db2.gz NHVFFTFDPYQQFD-VQNWOSHQSA-N 0 1 225.332 2.385 20 0 BEADMN C/C(=C\C[N@@H+]1CC[C@H](C)C(C)(C)C1)C(=O)[O-] ZINC000846259243 588263083 /nfs/dbraw/zinc/26/30/83/588263083.db2.gz NHVFFTFDPYQQFD-UAWPZABVSA-N 0 1 225.332 2.385 20 0 BEADMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C\Cl ZINC000846274235 588263863 /nfs/dbraw/zinc/26/38/63/588263863.db2.gz JZVVKYLMVVJITG-WBSSQXGSSA-N 0 1 219.712 2.170 20 0 BEADMN C[C@]1(CCNC(=O)C(F)(F)F)C[C@]1(F)Cl ZINC000846402786 588265373 /nfs/dbraw/zinc/26/53/73/588265373.db2.gz DXAWGRZLAMVFGZ-NKWVEPMBSA-N 0 1 247.619 2.370 20 0 BEADMN CC1=CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000846890354 588295646 /nfs/dbraw/zinc/29/56/46/588295646.db2.gz GXHHXAOCBPTVEL-UHFFFAOYSA-N 0 1 229.283 2.375 20 0 BEADMN CC(=O)C1CCN(Cc2cnccc2C)CC1 ZINC000846947800 588297943 /nfs/dbraw/zinc/29/79/43/588297943.db2.gz YAKHRINTKZCJQR-UHFFFAOYSA-N 0 1 232.327 2.191 20 0 BEADMN CC[C@@H](NCC1OCCO1)c1ccccc1F ZINC000847020321 588302305 /nfs/dbraw/zinc/30/23/05/588302305.db2.gz KPXLUBHYZVEFLX-GFCCVEGCSA-N 0 1 239.290 2.239 20 0 BEADMN C[Si](C)(C)CN1Cc2ccccc2NC(=O)C1 ZINC000847042496 588304662 /nfs/dbraw/zinc/30/46/62/588304662.db2.gz IJABIWRWDYRIFB-UHFFFAOYSA-N 0 1 248.402 2.318 20 0 BEADMN O=C(OCc1cc(C2CC2)[nH]n1)c1cncs1 ZINC000848010877 588347184 /nfs/dbraw/zinc/34/71/84/588347184.db2.gz YZHGVYLYYDFQLG-UHFFFAOYSA-N 0 1 249.295 2.101 20 0 BEADMN O=C(C=C1CCC1)OCc1cc(C2CC2)[nH]n1 ZINC000848013847 588347610 /nfs/dbraw/zinc/34/76/10/588347610.db2.gz XJXMWDWGJKGUDN-UHFFFAOYSA-N 0 1 232.283 2.441 20 0 BEADMN COc1c(C)cccc1CNC(=O)C(F)(F)F ZINC000848294678 588371322 /nfs/dbraw/zinc/37/13/22/588371322.db2.gz DLIJZAVZNSGIPB-UHFFFAOYSA-N 0 1 247.216 2.182 20 0 BEADMN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ncc[nH]1 ZINC000848565682 588398257 /nfs/dbraw/zinc/39/82/57/588398257.db2.gz KXZLBOVYLSKOOT-GMTAPVOTSA-N 0 1 237.347 2.406 20 0 BEADMN CC(C)c1ccccc1CN(C)[C@@H]1CCNC1=O ZINC000848890914 588417591 /nfs/dbraw/zinc/41/75/91/588417591.db2.gz VPZYRWQKORHKCO-CQSZACIVSA-N 0 1 246.354 2.130 20 0 BEADMN CCC1CN(Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC000848914361 588420114 /nfs/dbraw/zinc/42/01/14/588420114.db2.gz ICCVENUIBSFDJN-VOTSOKGWSA-N 0 1 249.310 2.308 20 0 BEADMN FC1(F)CC12CN(C[C@H]1CCC=CO1)C2 ZINC000848921933 588420614 /nfs/dbraw/zinc/42/06/14/588420614.db2.gz KAFAJEQHLNQNDX-SECBINFHSA-N 0 1 215.243 2.020 20 0 BEADMN Cn1cccc1-c1nnc(NCC(F)(F)F)o1 ZINC000849161060 588457893 /nfs/dbraw/zinc/45/78/93/588457893.db2.gz AKQATIQRBRADLA-UHFFFAOYSA-N 0 1 246.192 2.049 20 0 BEADMN CCc1ccc(C)nc1NCc1cnn(CC)n1 ZINC000849347387 588474254 /nfs/dbraw/zinc/47/42/54/588474254.db2.gz HAQZLBOEYUBTEO-UHFFFAOYSA-N 0 1 245.330 2.176 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000849646828 588484057 /nfs/dbraw/zinc/48/40/57/588484057.db2.gz DILLCDSCZJXEGW-VHSXEESVSA-N 0 1 249.314 2.328 20 0 BEADMN CCc1nc([C@H](C)OC(=O)C(C)(C)C)n[nH]1 ZINC000849692938 588487067 /nfs/dbraw/zinc/48/70/67/588487067.db2.gz PPGBVIOUPIMBEP-ZETCQYMHSA-N 0 1 225.292 2.017 20 0 BEADMN CCc1nc([C@@H](C)OC(=O)[C@H]2CC2(C)C)n[nH]1 ZINC000849745995 588493062 /nfs/dbraw/zinc/49/30/62/588493062.db2.gz CSAPNEKTYGLACP-HTQZYQBOSA-N 0 1 237.303 2.017 20 0 BEADMN CCc1nc([C@H](C)OC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000849780899 588497884 /nfs/dbraw/zinc/49/78/84/588497884.db2.gz BHYWBYDUSVDRTA-SFGNSQDASA-N 0 1 249.314 2.017 20 0 BEADMN C[C@H](NCc1cnn2c1CCC2)c1ccc[nH]1 ZINC000850228217 588530487 /nfs/dbraw/zinc/53/04/87/588530487.db2.gz ADNVFDNHTDWCNF-JTQLQIEISA-N 0 1 230.315 2.008 20 0 BEADMN C[C@@H](NCc1cnc2n1CCC2)c1ccc[nH]1 ZINC000850229243 588530614 /nfs/dbraw/zinc/53/06/14/588530614.db2.gz YFHORPYUBARQNB-SNVBAGLBSA-N 0 1 230.315 2.008 20 0 BEADMN CCCn1nccc1CN[C@@H](C)c1ccc[nH]1 ZINC000850228631 588530635 /nfs/dbraw/zinc/53/06/35/588530635.db2.gz JEFNULYJDJRDBU-NSHDSACASA-N 0 1 232.331 2.472 20 0 BEADMN CCCn1nccc1CN[C@H](C)c1ccc[nH]1 ZINC000850228630 588530775 /nfs/dbraw/zinc/53/07/75/588530775.db2.gz JEFNULYJDJRDBU-LLVKDONJSA-N 0 1 232.331 2.472 20 0 BEADMN Cc1nc(COC(=O)C2CCC3(CC3)CC2)n[nH]1 ZINC000850267116 588534333 /nfs/dbraw/zinc/53/43/33/588534333.db2.gz MFTLHHBJANCSNT-UHFFFAOYSA-N 0 1 249.314 2.127 20 0 BEADMN Cc1ccc2nc(CN[C@H]3C=CCC3)cn2c1 ZINC000850358678 588539467 /nfs/dbraw/zinc/53/94/67/588539467.db2.gz JRLGEZNGOXXLRT-LBPRGKRZSA-N 0 1 227.311 2.451 20 0 BEADMN CCO[C@H]1C[C@H](NCc2nc(C)cs2)C1 ZINC000850361303 588540405 /nfs/dbraw/zinc/54/04/05/588540405.db2.gz XWSZLFJUWLYIHH-MGCOHNPYSA-N 0 1 226.345 2.109 20 0 BEADMN Fc1cnccc1CN[C@H]1COC2(CCC2)C1 ZINC000850370350 588540956 /nfs/dbraw/zinc/54/09/56/588540956.db2.gz OHAWDILTFRFFLC-LLVKDONJSA-N 0 1 236.290 2.022 20 0 BEADMN O[C@H]1C[C@@H](NCc2cncs2)c2ccccc21 ZINC000850371604 588541279 /nfs/dbraw/zinc/54/12/79/588541279.db2.gz LEKYNSBQOXEEKD-OLZOCXBDSA-N 0 1 246.335 2.411 20 0 BEADMN Fc1cnccc1CNCC1SCCS1 ZINC000850402112 588544471 /nfs/dbraw/zinc/54/44/71/588544471.db2.gz OTELWQQIVKAXQL-UHFFFAOYSA-N 0 1 244.360 2.116 20 0 BEADMN O[C@H]1C[C@H](NCc2ccnc(Cl)c2Cl)C1 ZINC000850417580 588545137 /nfs/dbraw/zinc/54/51/37/588545137.db2.gz DQYUBHUKVNTWHU-ZKCHVHJHSA-N 0 1 247.125 2.001 20 0 BEADMN Fc1ncccc1CN[C@@H]1COC2(CCC2)C1 ZINC000850465708 588548578 /nfs/dbraw/zinc/54/85/78/588548578.db2.gz DVHRUTWFQYATRF-NSHDSACASA-N 0 1 236.290 2.022 20 0 BEADMN CCc1nc(CN[C@@H](C)CSCCF)co1 ZINC000850471826 588549292 /nfs/dbraw/zinc/54/92/92/588549292.db2.gz CXHWRZWEEOVTLG-VIFPVBQESA-N 0 1 246.351 2.418 20 0 BEADMN C1=C[C@H](N[C@H]2CCCn3ccnc32)CC1 ZINC000850509558 588554449 /nfs/dbraw/zinc/55/44/49/588554449.db2.gz RKRJYAMQWIJOHQ-QWRGUYRKSA-N 0 1 203.289 2.026 20 0 BEADMN C1=C[C@H](N[C@@H]2CCCn3ccnc32)CC1 ZINC000850509560 588554545 /nfs/dbraw/zinc/55/45/45/588554545.db2.gz RKRJYAMQWIJOHQ-WDEREUQCSA-N 0 1 203.289 2.026 20 0 BEADMN COc1ccnc(CN[C@@H]2CC[C@H]2C)c1F ZINC000850536117 588558532 /nfs/dbraw/zinc/55/85/32/588558532.db2.gz CMPITSUYCJJERK-RKDXNWHRSA-N 0 1 224.279 2.117 20 0 BEADMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ncc[nH]1 ZINC000850550980 588559943 /nfs/dbraw/zinc/55/99/43/588559943.db2.gz FWAKVWWZCHNRBF-JGVFFNPUSA-N 0 1 229.274 2.352 20 0 BEADMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ncc[nH]1 ZINC000850550982 588559972 /nfs/dbraw/zinc/55/99/72/588559972.db2.gz FWAKVWWZCHNRBF-SFYZADRCSA-N 0 1 229.274 2.352 20 0 BEADMN CC(C)[C@@H](C(=O)OC[C@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000851417465 588604349 /nfs/dbraw/zinc/60/43/49/588604349.db2.gz ZHUJVEMCQGQBCQ-RVMXOQNASA-N 0 1 239.359 2.162 20 0 BEADMN Cc1cc(CC(=O)OCC2CC3(CCC3)C2)n[nH]1 ZINC000851479238 588606801 /nfs/dbraw/zinc/60/68/01/588606801.db2.gz NUROVYSSVXGBIP-UHFFFAOYSA-N 0 1 248.326 2.384 20 0 BEADMN CCCCN(CCCC)Cc1cnon1 ZINC000851713138 588615815 /nfs/dbraw/zinc/61/58/15/588615815.db2.gz YZBKIYHVIZRFCG-UHFFFAOYSA-N 0 1 211.309 2.472 20 0 BEADMN CC1CCN(Cc2cccc(F)n2)CC1 ZINC000851718224 588616197 /nfs/dbraw/zinc/61/61/97/588616197.db2.gz FZSJJQFRNUXOSL-UHFFFAOYSA-N 0 1 208.280 2.453 20 0 BEADMN CCN(Cc1cnon1)C1CCCCC1 ZINC000851729158 588618804 /nfs/dbraw/zinc/61/88/04/588618804.db2.gz HKTYFBKYVDKLIS-UHFFFAOYSA-N 0 1 209.293 2.224 20 0 BEADMN Cc1ccccc1[C@H]1CCN(Cc2cnon2)C1 ZINC000851745907 588621651 /nfs/dbraw/zinc/62/16/51/588621651.db2.gz OBKOMNBOYHYSSU-LBPRGKRZSA-N 0 1 243.310 2.368 20 0 BEADMN CCN(Cc1ccoc1)C[C@H](O)c1ccccn1 ZINC000851747507 588622082 /nfs/dbraw/zinc/62/20/82/588622082.db2.gz VHJLCPLFVCCEHK-AWEZNQCLSA-N 0 1 246.310 2.230 20 0 BEADMN CC1(C)OC[C@@H](CN2Cc3ccccc3C2)O1 ZINC000851760297 588624230 /nfs/dbraw/zinc/62/42/30/588624230.db2.gz FGUAVPSXRSUNQZ-CYBMUJFWSA-N 0 1 233.311 2.154 20 0 BEADMN CN(Cc1cnon1)[C@@H]1CCc2ccccc2C1 ZINC000851772615 588626069 /nfs/dbraw/zinc/62/60/69/588626069.db2.gz BRUHPRPTZAEOIM-CQSZACIVSA-N 0 1 243.310 2.059 20 0 BEADMN CC(C)[C@@H]1CCCCN1Cc1cnon1 ZINC000851776504 588626682 /nfs/dbraw/zinc/62/66/82/588626682.db2.gz RXBLOSCHPRCBSJ-NSHDSACASA-N 0 1 209.293 2.080 20 0 BEADMN CC[C@@H](C)[C@H]1CCCCN1Cc1cnon1 ZINC000851781387 588627264 /nfs/dbraw/zinc/62/72/64/588627264.db2.gz VXRCWJLSCVVUOH-ZYHUDNBSSA-N 0 1 223.320 2.470 20 0 BEADMN ClC(Cl)=CCN1CC[C@]2(CCOC2)C1 ZINC000851806905 588631662 /nfs/dbraw/zinc/63/16/62/588631662.db2.gz BEICRRQTMVHEGJ-JTQLQIEISA-N 0 1 236.142 2.418 20 0 BEADMN FC(F)OCCN1CCC[C@@H]1c1cccnc1 ZINC000851870937 588637175 /nfs/dbraw/zinc/63/71/75/588637175.db2.gz KYWUIYKTUNEALF-LLVKDONJSA-N 0 1 242.269 2.458 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2cnon2)[C@H]2CCCC[C@@H]12 ZINC000851919327 588643439 /nfs/dbraw/zinc/64/34/39/588643439.db2.gz IKDKQRDQUPQOQG-USWWRNFRSA-N 0 1 221.304 2.080 20 0 BEADMN CCS[C@H]1CCCC[C@@H]1NCc1cnon1 ZINC000851950904 588646901 /nfs/dbraw/zinc/64/69/01/588646901.db2.gz ANROZFMSTSEUSL-QWRGUYRKSA-N 0 1 241.360 2.224 20 0 BEADMN C[C@@H]1CSCCN(Cc2cccc(F)n2)C1 ZINC000851983442 588651449 /nfs/dbraw/zinc/65/14/49/588651449.db2.gz YAWQSDLYHDUPIQ-JTQLQIEISA-N 0 1 240.347 2.406 20 0 BEADMN CCc1nc([C@@H](C)N(CC(C)(C)C)OC)n[nH]1 ZINC000852039573 588657014 /nfs/dbraw/zinc/65/70/14/588657014.db2.gz GJCRGTSYSBASTL-SECBINFHSA-N 0 1 240.351 2.338 20 0 BEADMN FC(F)OCCN1CCCc2occc2C1 ZINC000852054480 588657950 /nfs/dbraw/zinc/65/79/50/588657950.db2.gz XHXHRNCGJURWFS-UHFFFAOYSA-N 0 1 231.242 2.267 20 0 BEADMN Cc1ccoc1CN(C)C[C@H]1COC(C)(C)O1 ZINC000852077419 588660249 /nfs/dbraw/zinc/66/02/49/588660249.db2.gz UOPDABAIBPABIE-NSHDSACASA-N 0 1 239.315 2.171 20 0 BEADMN CC(C)=CCC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000852111211 588664582 /nfs/dbraw/zinc/66/45/82/588664582.db2.gz CLVKVEDPPOAXGB-GFCCVEGCSA-N 0 1 240.347 2.115 20 0 BEADMN OC[C@@H](NCc1csc(Cl)n1)C1CCC1 ZINC000852321249 588678482 /nfs/dbraw/zinc/67/84/82/588678482.db2.gz SQBVNJUQIKTIRD-SECBINFHSA-N 0 1 246.763 2.047 20 0 BEADMN C(C1OCCO1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000852355059 588679499 /nfs/dbraw/zinc/67/94/99/588679499.db2.gz NOYLUVRWMLSRHJ-UHFFFAOYSA-N 0 1 239.359 2.406 20 0 BEADMN CCCCCCN1CC2CC1(C(=O)OC)C2 ZINC000852442021 588682555 /nfs/dbraw/zinc/68/25/55/588682555.db2.gz WFHMUCKKOWAFPX-UHFFFAOYSA-N 0 1 225.332 2.204 20 0 BEADMN CC(C)C(=O)CC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000852442893 588682564 /nfs/dbraw/zinc/68/25/64/588682564.db2.gz GYYLTTHUFPDLRL-GFCCVEGCSA-N 0 1 239.359 2.245 20 0 BEADMN CC(C)C(=O)CCN1CC2(CCC2)OC[C@H]1C ZINC000852442893 588682565 /nfs/dbraw/zinc/68/25/65/588682565.db2.gz GYYLTTHUFPDLRL-GFCCVEGCSA-N 0 1 239.359 2.245 20 0 BEADMN c1nonc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000852488910 588685514 /nfs/dbraw/zinc/68/55/14/588685514.db2.gz CTFQJQQBOAYGJY-GFCCVEGCSA-N 0 1 235.331 2.472 20 0 BEADMN C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000852559742 588690169 /nfs/dbraw/zinc/69/01/69/588690169.db2.gz SIJDIAHBSRYLPM-XHDPSFHLSA-N 0 1 247.338 2.062 20 0 BEADMN Fc1cccc(CN2CC[C@@H]3C[C@@H]3C2)n1 ZINC000852634400 588693194 /nfs/dbraw/zinc/69/31/94/588693194.db2.gz MZYYCXNIETWHNA-NXEZZACHSA-N 0 1 206.264 2.063 20 0 BEADMN CCC(=O)CCN1CC2(CCCC2)OC[C@@H]1C ZINC000852635341 588693254 /nfs/dbraw/zinc/69/32/54/588693254.db2.gz FPXRZWQPNLFKGM-LBPRGKRZSA-N 0 1 239.359 2.389 20 0 BEADMN CCC(CC)CCCN(C)CC(=O)N(C)OC ZINC000852670967 588694782 /nfs/dbraw/zinc/69/47/82/588694782.db2.gz BCJUNIQXKCOHBH-UHFFFAOYSA-N 0 1 244.379 2.154 20 0 BEADMN CCCOC(=O)[C@H](C)N(C)C[C@H]1CC1(C)C ZINC000852771062 588701283 /nfs/dbraw/zinc/70/12/83/588701283.db2.gz AFWYNJQWRCHZLL-WDEREUQCSA-N 0 1 227.348 2.306 20 0 BEADMN C[C@H](CC(=O)O[C@H](C)c1nnc[nH]1)c1ccco1 ZINC000860892909 589126242 /nfs/dbraw/zinc/12/62/42/589126242.db2.gz ZFWIMMGBPVESJP-RKDXNWHRSA-N 0 1 249.270 2.196 20 0 BEADMN CC[N@@H+](Cn1cnc(-c2ccccc2)n1)C1CC1 ZINC000117862017 589136164 /nfs/dbraw/zinc/13/61/64/589136164.db2.gz ZFDPEVSHHBVYOC-UHFFFAOYSA-N 0 1 242.326 2.387 20 0 BEADMN CCN(Cn1cnc(-c2ccccc2)n1)C1CC1 ZINC000117862017 589136166 /nfs/dbraw/zinc/13/61/66/589136166.db2.gz ZFDPEVSHHBVYOC-UHFFFAOYSA-N 0 1 242.326 2.387 20 0 BEADMN c1nc(-c2ccccc2)nn1CN1CCCCC1 ZINC000117861544 589136359 /nfs/dbraw/zinc/13/63/59/589136359.db2.gz LFSKQORLYTWBHV-UHFFFAOYSA-N 0 1 242.326 2.389 20 0 BEADMN CCCCSCCC(=O)OCCN1CCC1 ZINC000861387985 589162041 /nfs/dbraw/zinc/16/20/41/589162041.db2.gz PPIXPYSQNVIDHH-UHFFFAOYSA-N 0 1 245.388 2.159 20 0 BEADMN C[C@@H]1CCC[C@H](C(=O)OCCN2CCC2)C1 ZINC000861388446 589162201 /nfs/dbraw/zinc/16/22/01/589162201.db2.gz VBRSSJOFQFMYPD-NEPJUHHUSA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@H](C(=O)OCCN1CCC1)c1ccccc1 ZINC000861384396 589162368 /nfs/dbraw/zinc/16/23/68/589162368.db2.gz PSCZYQOYUDEBQO-AWEZNQCLSA-N 0 1 247.338 2.429 20 0 BEADMN C[C@H](CC1CCCC1)C(=O)OCCN1CCC1 ZINC000861387457 589162668 /nfs/dbraw/zinc/16/26/68/589162668.db2.gz JBAOXEGQGLJVAR-GFCCVEGCSA-N 0 1 239.359 2.452 20 0 BEADMN CC(C)(C)CCC(=O)OCCN1CCC1 ZINC000861388505 589162934 /nfs/dbraw/zinc/16/29/34/589162934.db2.gz WDIMIMZDLRVQJK-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CCc1ccccc1C(=O)OCCN1CCC1 ZINC000861388556 589163016 /nfs/dbraw/zinc/16/30/16/589163016.db2.gz VHLFOLWKHJADET-UHFFFAOYSA-N 0 1 233.311 2.112 20 0 BEADMN C[C@H]1CCC[C@@H]1CC(=O)OCCN1CCC1 ZINC000861389337 589163468 /nfs/dbraw/zinc/16/34/68/589163468.db2.gz IGGTYMWGGXIQJD-NWDGAFQWSA-N 0 1 225.332 2.062 20 0 BEADMN O=C(OCCN1CCC1)c1cccc(C2CC2)c1 ZINC000861390010 589163769 /nfs/dbraw/zinc/16/37/69/589163769.db2.gz GCLPNNCGGQWDBM-UHFFFAOYSA-N 0 1 245.322 2.427 20 0 BEADMN C[C@H]1CC[C@H](C(=O)OCCN2CCC2)CC1 ZINC000861390705 589164078 /nfs/dbraw/zinc/16/40/78/589164078.db2.gz SOSWWZYZDFKUEG-HAQNSBGRSA-N 0 1 225.332 2.062 20 0 BEADMN CCC[C@@H]1CCC[C@H]1C(=O)OCCN1CCC1 ZINC000861390347 589164143 /nfs/dbraw/zinc/16/41/43/589164143.db2.gz DQIHNKMZGPWHHN-CHWSQXEVSA-N 0 1 239.359 2.452 20 0 BEADMN C[C@@H]1CCC[C@]1(C)C(=O)OCCN1CCC1 ZINC000861391062 589164209 /nfs/dbraw/zinc/16/42/09/589164209.db2.gz OZTKGZNXIPRSBB-YPMHNXCESA-N 0 1 225.332 2.062 20 0 BEADMN CC[C@@H](C)CCC(=O)OCCN1CCC1 ZINC000861392653 589164527 /nfs/dbraw/zinc/16/45/27/589164527.db2.gz VUJLIERRFLWPKW-LLVKDONJSA-N 0 1 213.321 2.062 20 0 BEADMN O=C(OCCN1CCC1)C1(C2CCC2)CCC1 ZINC000861391801 589164718 /nfs/dbraw/zinc/16/47/18/589164718.db2.gz YZORSTOPHFSFGB-UHFFFAOYSA-N 0 1 237.343 2.206 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1CCCC(F)(F)C1 ZINC000861392681 589164806 /nfs/dbraw/zinc/16/48/06/589164806.db2.gz WLHOWZBZDDLZJK-SNVBAGLBSA-N 0 1 247.285 2.061 20 0 BEADMN O=C(OCCN1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000861391520 589164927 /nfs/dbraw/zinc/16/49/27/589164927.db2.gz DZKHEPSMDXOXCN-UONOGXRCSA-N 0 1 245.322 2.039 20 0 BEADMN CC/C(C)=C(/C)C(=O)N1CCc2nc[nH]c2C1 ZINC000861761346 589176861 /nfs/dbraw/zinc/17/68/61/589176861.db2.gz DDCWPINVLUBENO-KTKRTIGZSA-N 0 1 233.315 2.041 20 0 BEADMN Cc1c[nH]c(CN2CCCCCCC2)n1 ZINC000862212570 589194512 /nfs/dbraw/zinc/19/45/12/589194512.db2.gz UDSJVJWJNFUDTC-UHFFFAOYSA-N 0 1 207.321 2.484 20 0 BEADMN Cc1c(F)nccc1CNCc1ccoc1 ZINC000862273307 589198176 /nfs/dbraw/zinc/19/81/76/589198176.db2.gz WZVKLAKCWDMMRH-UHFFFAOYSA-N 0 1 220.247 2.412 20 0 BEADMN Cc1ncc(CN[C@H](C)[C@@H](O)c2ccccc2)o1 ZINC000862368400 589205266 /nfs/dbraw/zinc/20/52/66/589205266.db2.gz HBFUIURPCMMEPP-QMTHXVAHSA-N 0 1 246.310 2.195 20 0 BEADMN C[C@@]1(CNC(CF)CF)CCCS1 ZINC000862381427 589206406 /nfs/dbraw/zinc/20/64/06/589206406.db2.gz AZMCPOKCUSOAKH-VIFPVBQESA-N 0 1 209.305 2.169 20 0 BEADMN Cc1c[nH]c(CN2CCC[C@@]3(CC3(F)F)C2)n1 ZINC000862403227 589209444 /nfs/dbraw/zinc/20/94/44/589209444.db2.gz NFWMAOCRPGWXLI-LLVKDONJSA-N 0 1 241.285 2.339 20 0 BEADMN C1=C[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000862410182 589210736 /nfs/dbraw/zinc/21/07/36/589210736.db2.gz OYIXDLGSTGIYTI-JTQLQIEISA-N 0 1 204.273 2.360 20 0 BEADMN O[C@@]1(c2ccccc2)CCC[N@@H+](CC2(F)CC2)C1 ZINC000862482471 589217088 /nfs/dbraw/zinc/21/70/88/589217088.db2.gz ISPZBMIOXNVFSZ-HNNXBMFYSA-N 0 1 249.329 2.472 20 0 BEADMN O[C@@]1(c2ccccc2)CCCN(CC2(F)CC2)C1 ZINC000862482471 589217089 /nfs/dbraw/zinc/21/70/89/589217089.db2.gz ISPZBMIOXNVFSZ-HNNXBMFYSA-N 0 1 249.329 2.472 20 0 BEADMN Oc1cccc2c1CCN(C[C@@H]1CCC=CO1)C2 ZINC000862528716 589217708 /nfs/dbraw/zinc/21/77/08/589217708.db2.gz AXYDCVPRKAOREU-ZDUSSCGKSA-N 0 1 245.322 2.443 20 0 BEADMN CN(C)CC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862967663 589249376 /nfs/dbraw/zinc/24/93/76/589249376.db2.gz SHBTVKQLOGCBCF-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CCN1C(=O)N=NC1SCSC(C)C ZINC000863259210 589275160 /nfs/dbraw/zinc/27/51/60/589275160.db2.gz MRTKGGBWJOOAGN-UHFFFAOYSA-N 0 1 233.362 2.195 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863474576 589291767 /nfs/dbraw/zinc/29/17/67/589291767.db2.gz CSCQUHTVWFTMJT-DOERSZECSA-N 0 1 245.322 2.195 20 0 BEADMN CCO[C@H](c1nc([C@@H](N)C(C)C)no1)C1CC1 ZINC000863655791 589308204 /nfs/dbraw/zinc/30/82/04/589308204.db2.gz GHIJGILIISMBTG-UWVGGRQHSA-N 0 1 239.319 2.213 20 0 BEADMN CCN[C@@H](C)c1nc(-c2cncc(C)c2)no1 ZINC000863659414 589308476 /nfs/dbraw/zinc/30/84/76/589308476.db2.gz CHINASQEJXFGSL-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN Cc1nnc(CNCC[C@]2(C)CC2(F)F)s1 ZINC000864052030 589333920 /nfs/dbraw/zinc/33/39/20/589333920.db2.gz ZDBMBNMGFGGBFV-SECBINFHSA-N 0 1 247.314 2.372 20 0 BEADMN CO[C@@H]1CC[C@@H](C)N(Cc2ccns2)C1 ZINC000864054702 589335732 /nfs/dbraw/zinc/33/57/32/589335732.db2.gz ZJADYSRYXBMLLW-NXEZZACHSA-N 0 1 226.345 2.142 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2ccns2)C1 ZINC000864054705 589336228 /nfs/dbraw/zinc/33/62/28/589336228.db2.gz ZJADYSRYXBMLLW-ZJUUUORDSA-N 0 1 226.345 2.142 20 0 BEADMN CC/C=C(/F)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000864068896 589338781 /nfs/dbraw/zinc/33/87/81/589338781.db2.gz WOQFJLHMDDQRJY-VUUNSECVSA-N 0 1 242.338 2.239 20 0 BEADMN CO[C@H]1C[C@H](Nc2ccncc2C(F)(F)F)C1 ZINC000864090758 589343565 /nfs/dbraw/zinc/34/35/65/589343565.db2.gz JEDLFPZAZOCCSF-ZKCHVHJHSA-N 0 1 246.232 2.112 20 0 BEADMN CONC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000864749079 589392434 /nfs/dbraw/zinc/39/24/34/589392434.db2.gz UZTZFSNDFQGNAA-ZDUSSCGKSA-N 0 1 248.326 2.423 20 0 BEADMN FC1(F)CC[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865494094 589440902 /nfs/dbraw/zinc/44/09/02/589440902.db2.gz QQTRGGYHXAOYDG-VIFPVBQESA-N 0 1 241.285 2.495 20 0 BEADMN c1nc(CNC[C@@H]2CCC=CO2)cn1C1CC1 ZINC000865537186 589444085 /nfs/dbraw/zinc/44/40/85/589444085.db2.gz CDTXNEIJQRPPKN-ZDUSSCGKSA-N 0 1 233.315 2.000 20 0 BEADMN CC1(C)CC[C@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865533506 589444276 /nfs/dbraw/zinc/44/42/76/589444276.db2.gz LABCAQHHXGYWRZ-CYBMUJFWSA-N 0 1 249.358 2.265 20 0 BEADMN CC(C)SCCNCc1cn(C2CC2)cn1 ZINC000865568466 589447306 /nfs/dbraw/zinc/44/73/06/589447306.db2.gz QLKSCAHQBLRKSN-UHFFFAOYSA-N 0 1 239.388 2.449 20 0 BEADMN Cc1cc(CN[C@H](C)[C@H](O)c2ccccc2)on1 ZINC000865571586 589447971 /nfs/dbraw/zinc/44/79/71/589447971.db2.gz OBLNBPQCGVHVNS-RISCZKNCSA-N 0 1 246.310 2.195 20 0 BEADMN CC(C)(C)c1csc(CN[C@H]2C[C@@H](O)C2)n1 ZINC000865594692 589449912 /nfs/dbraw/zinc/44/99/12/589449912.db2.gz WIISQEBWVFWYDH-DTORHVGOSA-N 0 1 240.372 2.054 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cn(C3CC3)cn2)CS1 ZINC000865602885 589450125 /nfs/dbraw/zinc/45/01/25/589450125.db2.gz UHQRNRRDXYZXAS-NXEZZACHSA-N 0 1 237.372 2.202 20 0 BEADMN C[C@H]1CCC[C@@H](CNCc2cn(C3CC3)cn2)O1 ZINC000865628096 589452536 /nfs/dbraw/zinc/45/25/36/589452536.db2.gz QGXFTQSSIMFYQR-FZMZJTMJSA-N 0 1 249.358 2.265 20 0 BEADMN c1nc(CNCC2=CCCC2)cn1C1CC1 ZINC000865632164 589452645 /nfs/dbraw/zinc/45/26/45/589452645.db2.gz MZKBCQNFEKZFJD-UHFFFAOYSA-N 0 1 217.316 2.418 20 0 BEADMN CCn1ncc(CNCCC(C)(C)CC)n1 ZINC000865678928 589455959 /nfs/dbraw/zinc/45/59/59/589455959.db2.gz HMABRKYAOXBHEG-UHFFFAOYSA-N 0 1 224.352 2.214 20 0 BEADMN Cc1ncc(CN[C@@H]2CCCC[C@@H]2F)n1C ZINC000865696772 589456886 /nfs/dbraw/zinc/45/68/86/589456886.db2.gz JSVPGRFEWYLOET-NWDGAFQWSA-N 0 1 225.311 2.099 20 0 BEADMN Cn1c(CN[C@@H]2CCCC[C@@H]2F)cnc1Cl ZINC000865697010 589456889 /nfs/dbraw/zinc/45/68/89/589456889.db2.gz PHTFWTPMSPPJFT-VHSXEESVSA-N 0 1 245.729 2.444 20 0 BEADMN CCn1nc(C)c(CN[C@]23C[C@H]2CCCC3)n1 ZINC000865704690 589457516 /nfs/dbraw/zinc/45/75/16/589457516.db2.gz XWUYFSOLLWQNAN-DGCLKSJQSA-N 0 1 234.347 2.029 20 0 BEADMN CS[C@H]1C[C@H](NCc2nccs2)C1 ZINC000865734424 589459511 /nfs/dbraw/zinc/45/95/11/589459511.db2.gz XYNABXPNSQOSMD-ZKCHVHJHSA-N 0 1 214.359 2.127 20 0 BEADMN Cc1cc(CNC(C)(C)[C@H]2CCCCO2)on1 ZINC000865743760 589460426 /nfs/dbraw/zinc/46/04/26/589460426.db2.gz HUGAHNBXDOSXNY-GFCCVEGCSA-N 0 1 238.331 2.420 20 0 BEADMN FC(F)(F)[C@@H]1C[C@H]1NCc1ccoc1 ZINC000865753174 589461020 /nfs/dbraw/zinc/46/10/20/589461020.db2.gz KZWLROMPJGPGCO-HTQZYQBOSA-N 0 1 205.179 2.320 20 0 BEADMN Cn1cnc(CNC2([C@H]3CCCCO3)CCC2)c1 ZINC000865857476 589465351 /nfs/dbraw/zinc/46/53/51/589465351.db2.gz RTXXIXRCYMERMI-CYBMUJFWSA-N 0 1 249.358 2.002 20 0 BEADMN CCc1csc(N(C)Cc2cn[nH]c2C)n1 ZINC000865901560 589468017 /nfs/dbraw/zinc/46/80/17/589468017.db2.gz XNLRRDFXKYDUPL-UHFFFAOYSA-N 0 1 236.344 2.373 20 0 BEADMN CCc1csc(N(C)Cc2cnc[nH]2)n1 ZINC000865929535 589468901 /nfs/dbraw/zinc/46/89/01/589468901.db2.gz NSDOCCSUUJCMEY-UHFFFAOYSA-N 0 1 222.317 2.065 20 0 BEADMN CCc1csc(N2CCCc3[nH]ncc3C2)n1 ZINC000865958781 589470233 /nfs/dbraw/zinc/47/02/33/589470233.db2.gz JYDIRZILYDJPEU-UHFFFAOYSA-N 0 1 248.355 2.381 20 0 BEADMN Cc1noc(C)c1CN(C)CCCF ZINC000120868827 589473124 /nfs/dbraw/zinc/47/31/24/589473124.db2.gz ALEANYSATHIFTA-UHFFFAOYSA-N 0 1 200.257 2.083 20 0 BEADMN CCCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866212791 589480789 /nfs/dbraw/zinc/48/07/89/589480789.db2.gz WDFIPYWUZRDJLT-PWSUYJOCSA-N 0 1 209.264 2.458 20 0 BEADMN CC(C)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000866214184 589480850 /nfs/dbraw/zinc/48/08/50/589480850.db2.gz LOIVKJIAFNGVRT-JQWIXIFHSA-N 0 1 209.264 2.456 20 0 BEADMN CCCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866212790 589481018 /nfs/dbraw/zinc/48/10/18/589481018.db2.gz WDFIPYWUZRDJLT-JQWIXIFHSA-N 0 1 209.264 2.458 20 0 BEADMN C[C@H](CCc1cccnc1)NCc1ccon1 ZINC000866278677 589484197 /nfs/dbraw/zinc/48/41/97/589484197.db2.gz WKHDIRGIHWGRQC-LLVKDONJSA-N 0 1 231.299 2.181 20 0 BEADMN Cc1cc([C@@H](C)NCc2ccnc(F)c2)n(C)n1 ZINC000866473532 589494872 /nfs/dbraw/zinc/49/48/72/589494872.db2.gz FSTHBSRQAQPFEP-SNVBAGLBSA-N 0 1 248.305 2.113 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1ccnc(F)c1 ZINC000866473610 589495114 /nfs/dbraw/zinc/49/51/14/589495114.db2.gz OSBBTHZDDNFDCR-MRVPVSSYSA-N 0 1 234.278 2.103 20 0 BEADMN C[C@@H](CCO)N[C@@H](CF)c1ccc(F)cc1 ZINC000866597094 589502618 /nfs/dbraw/zinc/50/26/18/589502618.db2.gz XYZBGLITBOUVFP-CABZTGNLSA-N 0 1 229.270 2.197 20 0 BEADMN CC[C@H](C[C@@H](C)O)N[C@@H](C)c1cc(C)on1 ZINC000866634275 589506232 /nfs/dbraw/zinc/50/62/32/589506232.db2.gz PMOXPWXFYVWCST-DVVUODLYSA-N 0 1 226.320 2.183 20 0 BEADMN C[C@H](NCC[C@@H](O)C1CCCC1)c1ncc[nH]1 ZINC000866637477 589506612 /nfs/dbraw/zinc/50/66/12/589506612.db2.gz HBQURDDGNYEPPA-CMPLNLGQSA-N 0 1 237.347 2.002 20 0 BEADMN C[C@@H](NCC[C@H](O)C1CCCC1)c1ncc[nH]1 ZINC000866637479 589506669 /nfs/dbraw/zinc/50/66/69/589506669.db2.gz HBQURDDGNYEPPA-PWSUYJOCSA-N 0 1 237.347 2.002 20 0 BEADMN CC/C=C(\F)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000866750367 589517164 /nfs/dbraw/zinc/51/71/64/589517164.db2.gz QDDHPFMCUFILKE-SOUAVXJDSA-N 0 1 239.294 2.029 20 0 BEADMN CC1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000867833011 589536213 /nfs/dbraw/zinc/53/62/13/589536213.db2.gz VBYKXLZRKBTKME-UHFFFAOYSA-N 0 1 239.706 2.032 20 0 BEADMN CC(C)(C(=O)NOC1CCC1)[C@@H]1CCCCO1 ZINC000868659261 589571109 /nfs/dbraw/zinc/57/11/09/589571109.db2.gz UZACSCZUCBLJOP-NSHDSACASA-N 0 1 241.331 2.182 20 0 BEADMN CC/C=C(/F)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000868752181 589575461 /nfs/dbraw/zinc/57/54/61/589575461.db2.gz MEGNOCBKUBVTIP-DREKTBMASA-N 0 1 242.338 2.193 20 0 BEADMN C[C@@H](N[C@@H](C)CCO)c1c(F)cccc1F ZINC000122868421 589640608 /nfs/dbraw/zinc/64/06/08/589640608.db2.gz ZWXNNTRMGNGJSM-DTWKUNHWSA-N 0 1 229.270 2.386 20 0 BEADMN CC[S@@](=O)CCNCc1ccccc1Cl ZINC000123696964 589771542 /nfs/dbraw/zinc/77/15/42/589771542.db2.gz WYFONJOSHZBVAM-HNNXBMFYSA-N 0 1 245.775 2.198 20 0 BEADMN CCC(N)=NOCc1cccc2c1CCOC2 ZINC000871728630 589799846 /nfs/dbraw/zinc/79/98/46/589799846.db2.gz OMXVEDNCNRRDMH-UHFFFAOYSA-N 0 1 234.299 2.168 20 0 BEADMN CCn1cc(-c2ccc(F)c(CN(C)C)c2)nn1 ZINC000871886214 589828553 /nfs/dbraw/zinc/82/85/53/589828553.db2.gz DXDFZKMVLRFQSO-UHFFFAOYSA-N 0 1 248.305 2.166 20 0 BEADMN CC1(C)CC[C@@H]2C(=O)N(c3ncccn3)N=C2C1 ZINC000871943335 589836545 /nfs/dbraw/zinc/83/65/45/589836545.db2.gz GWAMFZWVKIRYTA-VIFPVBQESA-N 0 1 244.298 2.006 20 0 BEADMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1C1CC1 ZINC000871952717 589841444 /nfs/dbraw/zinc/84/14/44/589841444.db2.gz MHRFXKYJIGEUBP-JTQLQIEISA-N 0 1 249.701 2.484 20 0 BEADMN CCc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1C ZINC000871955339 589842741 /nfs/dbraw/zinc/84/27/41/589842741.db2.gz YCAGJXXMUMBYBG-SSDOTTSWSA-N 0 1 237.690 2.484 20 0 BEADMN O=c1cc(C2CCCC2)[nH]n1CC(F)F ZINC000871959178 589844225 /nfs/dbraw/zinc/84/42/25/589844225.db2.gz KMXPBMRKIYHMAP-UHFFFAOYSA-N 0 1 216.231 2.030 20 0 BEADMN COCCCn1[nH]c2c(c1=O)CCC(C)(C)C2 ZINC000871959190 589844330 /nfs/dbraw/zinc/84/43/30/589844330.db2.gz KXDRXRORTXYVPX-JTQLQIEISA-N 0 1 238.331 2.047 20 0 BEADMN O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCC2 ZINC000871963486 589847319 /nfs/dbraw/zinc/84/73/19/589847319.db2.gz PCFWUZGZBKZFDA-RKDXNWHRSA-N 0 1 242.269 2.420 20 0 BEADMN O=c1c2c([nH]n1C[C@H]1CCCC1(F)F)CCC2 ZINC000871963486 589847322 /nfs/dbraw/zinc/84/73/22/589847322.db2.gz PCFWUZGZBKZFDA-RKDXNWHRSA-N 0 1 242.269 2.420 20 0 BEADMN Cc1cc(=O)n(C[C@H]2CCCC2(F)F)[nH]1 ZINC000871964114 589847759 /nfs/dbraw/zinc/84/77/59/589847759.db2.gz WIWZTIFAACRELB-MRVPVSSYSA-N 0 1 216.231 2.030 20 0 BEADMN C[C@H](NC[C@H]1CCCO1)c1cc(O)ccc1F ZINC000872016750 589855646 /nfs/dbraw/zinc/85/56/46/589855646.db2.gz ORUFSGPXRWFEJB-GXSJLCMTSA-N 0 1 239.290 2.361 20 0 BEADMN C[C@H](N[C@H]1CCCOC1)c1cccc(O)c1F ZINC000872035245 589858003 /nfs/dbraw/zinc/85/80/03/589858003.db2.gz UUGXUUDIWNVOGW-UWVGGRQHSA-N 0 1 239.290 2.361 20 0 BEADMN CCC[C@H](O)CN[C@@H](C)c1cc(O)ccc1F ZINC000872036486 589858400 /nfs/dbraw/zinc/85/84/00/589858400.db2.gz SNQIBYVLFSAQJZ-ONGXEEELSA-N 0 1 241.306 2.343 20 0 BEADMN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1ncc[nH]1 ZINC000872107768 589873684 /nfs/dbraw/zinc/87/36/84/589873684.db2.gz OFAVROGEODDIMJ-WHOHXGKFSA-N 0 1 235.331 2.018 20 0 BEADMN CC(C)OC1(CN[C@@H](C)c2ncc[nH]2)CCC1 ZINC000872116136 589874897 /nfs/dbraw/zinc/87/48/97/589874897.db2.gz OPAGVADXINDDEI-NSHDSACASA-N 0 1 237.347 2.408 20 0 BEADMN COc1ccc(C(=O)[O-])c2c1C[N@H+](C(C)C)CC2 ZINC000872166846 589887112 /nfs/dbraw/zinc/88/71/12/589887112.db2.gz UJFJPHOXEZPUEV-UHFFFAOYSA-N 0 1 249.310 2.160 20 0 BEADMN c1nc(CN2CCC[C@@H](OC3CCC3)CC2)c[nH]1 ZINC000872280728 589904879 /nfs/dbraw/zinc/90/48/79/589904879.db2.gz PGEZDDQXWXXARD-CQSZACIVSA-N 0 1 249.358 2.333 20 0 BEADMN CCCCCCN(C)CC(C)(C)S(C)(=O)=O ZINC000124113966 589943247 /nfs/dbraw/zinc/94/32/47/589943247.db2.gz BWEIRNSEEMKJGK-UHFFFAOYSA-N 0 1 249.420 2.322 20 0 BEADMN Cc1oc2ccccc2c1C[N@@H+](C)CC(=O)[O-] ZINC000124183445 589958890 /nfs/dbraw/zinc/95/88/90/589958890.db2.gz GUEUNGXVOZGSEU-UHFFFAOYSA-N 0 1 233.267 2.258 20 0 BEADMN c1cc(CNC[C@H]2COc3ccccc3C2)no1 ZINC000873009482 589978917 /nfs/dbraw/zinc/97/89/17/589978917.db2.gz LSOSBBHVGYEUKM-NSHDSACASA-N 0 1 244.294 2.016 20 0 BEADMN CC(C)(C)[C@H](Cn1ccnc1)NCc1ccon1 ZINC000873023339 589980135 /nfs/dbraw/zinc/98/01/35/589980135.db2.gz YVGGGMFMYMGARO-LBPRGKRZSA-N 0 1 248.330 2.076 20 0 BEADMN C[C@H](C[C@H](O)c1ccccc1)NCc1ccon1 ZINC000873097248 589984785 /nfs/dbraw/zinc/98/47/85/589984785.db2.gz KYAGANJIABOMLA-RISCZKNCSA-N 0 1 246.310 2.276 20 0 BEADMN c1csc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC000873157279 589988523 /nfs/dbraw/zinc/98/85/23/589988523.db2.gz VMZIGQVDSQAJFP-OUAUKWLOSA-N 0 1 238.356 2.190 20 0 BEADMN CC[C@H](NCc1ncc[nH]1)[C@@H](O)c1ccccc1 ZINC000873194722 589991286 /nfs/dbraw/zinc/99/12/86/589991286.db2.gz UZGXGHJACJGXIP-JSGCOSHPSA-N 0 1 245.326 2.012 20 0 BEADMN CC[C@@H](NCc1cc[nH]n1)[C@H](O)c1ccccc1 ZINC000873195161 589991638 /nfs/dbraw/zinc/99/16/38/589991638.db2.gz YKBHYCVOQQFYLL-ZIAGYGMSSA-N 0 1 245.326 2.012 20 0 BEADMN Cc1ccc(CNC2(C)CC(F)(F)C2)nn1 ZINC000873197620 589992130 /nfs/dbraw/zinc/99/21/30/589992130.db2.gz KAAHHMGWKGCQJW-UHFFFAOYSA-N 0 1 227.258 2.062 20 0 BEADMN Cc1n[nH]cc1[C@@H](C)NCc1cc(N)cc(F)c1 ZINC000873288490 590022145 /nfs/dbraw/zinc/02/21/45/590022145.db2.gz HBFZZTQBZONAMN-MRVPVSSYSA-N 0 1 248.305 2.290 20 0 BEADMN CCCCCC[C@@H](C)C(=O)N1CCNC[C@H]1C ZINC000124489583 590031373 /nfs/dbraw/zinc/03/13/73/590031373.db2.gz NRRYEYWIIMSWLD-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CCC[C@H](CC)C(=O)OCc1n[nH]c(CC)n1 ZINC000873419988 590041372 /nfs/dbraw/zinc/04/13/72/590041372.db2.gz FFHWSUZPYMXTNN-VIFPVBQESA-N 0 1 239.319 2.237 20 0 BEADMN C[C@H](OC(=O)C1CCC=CCC1)c1nnc[nH]1 ZINC000873548141 590055691 /nfs/dbraw/zinc/05/56/91/590055691.db2.gz UCQJXFPEYNBJJY-VIFPVBQESA-N 0 1 235.287 2.155 20 0 BEADMN CN(C(=O)CN1CCCC1)C1CCCCCC1 ZINC000873927735 590079925 /nfs/dbraw/zinc/07/99/25/590079925.db2.gz JQBPHKVATGEQTG-UHFFFAOYSA-N 0 1 238.375 2.263 20 0 BEADMN CCCCC[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000873958530 590081144 /nfs/dbraw/zinc/08/11/44/590081144.db2.gz XSCLRPATSFYEQS-GHMZBOCLSA-N 0 1 214.353 2.022 20 0 BEADMN CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCC1 ZINC000873992703 590083731 /nfs/dbraw/zinc/08/37/31/590083731.db2.gz ATBZPFIBEMJSQZ-OLZOCXBDSA-N 0 1 238.375 2.167 20 0 BEADMN CCCCC[C@H](C)CC(=O)N1CCNC[C@H]1C ZINC000124884132 590096970 /nfs/dbraw/zinc/09/69/70/590096970.db2.gz AFOQKXWIRMJUCC-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CC(C)[C@H](C)Nc1cc(C(=O)[O-])cc[nH+]1 ZINC000020368585 590104609 /nfs/dbraw/zinc/10/46/09/590104609.db2.gz BHUCAJLCRJSJDI-QMMMGPOBSA-N 0 1 208.261 2.236 20 0 BEADMN C[C@@H]1CC[C@H](NC(=O)CN2CCCC2)[C@@H](C)C1 ZINC000874472015 590114503 /nfs/dbraw/zinc/11/45/03/590114503.db2.gz UGWWZJPSTKABOU-AGIUHOORSA-N 0 1 238.375 2.023 20 0 BEADMN O=C(N[C@@H]1CC12CCC2)c1ccc2cncn2c1 ZINC000874777420 590129375 /nfs/dbraw/zinc/12/93/75/590129375.db2.gz DNXDKNSZCFEKLE-GFCCVEGCSA-N 0 1 241.294 2.007 20 0 BEADMN C[C@@H](NC[C@H](O)c1ccco1)c1cncs1 ZINC000125161818 590142169 /nfs/dbraw/zinc/14/21/69/590142169.db2.gz YMAGEIURLMVRDD-BDAKNGLRSA-N 0 1 238.312 2.120 20 0 BEADMN Cc1cc(CN(C)CCn2cccn2)c(C)o1 ZINC000125301030 590160719 /nfs/dbraw/zinc/16/07/19/590160719.db2.gz UOHKIWWXGWHCJR-UHFFFAOYSA-N 0 1 233.315 2.225 20 0 BEADMN Cc1cc(CC(=O)N[C@@H]2CCCC3(CC3)C2)[nH]n1 ZINC000888700799 590187972 /nfs/dbraw/zinc/18/79/72/590187972.db2.gz PTDLKXCDCNCONP-LLVKDONJSA-N 0 1 247.342 2.100 20 0 BEADMN CCCN(Cc1cn(CCC)nn1)CC1CC1 ZINC000876510626 590205463 /nfs/dbraw/zinc/20/54/63/590205463.db2.gz OXNDGGMXAFAOOE-UHFFFAOYSA-N 0 1 236.363 2.310 20 0 BEADMN CCCn1cc(CN2CCCCCC2)nn1 ZINC000876523808 590208034 /nfs/dbraw/zinc/20/80/34/590208034.db2.gz FMTBLIWDOWJRBV-UHFFFAOYSA-N 0 1 222.336 2.064 20 0 BEADMN CCCn1cc(CN2CCCCCCC2)nn1 ZINC000876527618 590209097 /nfs/dbraw/zinc/20/90/97/590209097.db2.gz CFMBINXSYLMSMB-UHFFFAOYSA-N 0 1 236.363 2.454 20 0 BEADMN CCC[C@@H](C)N(C)Cc1cn(CCC)nn1 ZINC000876583636 590218802 /nfs/dbraw/zinc/21/88/02/590218802.db2.gz OFYOAFRXZFQAHM-LLVKDONJSA-N 0 1 224.352 2.309 20 0 BEADMN CCCn1cc(CN2CC[C@H](C)[C@H](C)C2)nn1 ZINC000876745183 590236122 /nfs/dbraw/zinc/23/61/22/590236122.db2.gz GIRXQUMLGFPTSB-NWDGAFQWSA-N 0 1 236.363 2.166 20 0 BEADMN COc1cnc(F)c(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000876800658 590243334 /nfs/dbraw/zinc/24/33/34/590243334.db2.gz TVRKUIFHTILMMW-ZJUUUORDSA-N 0 1 238.306 2.460 20 0 BEADMN CCCn1cc(CN2[C@@H](C)CC[C@@H]2C)nn1 ZINC000876807522 590244829 /nfs/dbraw/zinc/24/48/29/590244829.db2.gz GBBJRCMVZMGGHW-QWRGUYRKSA-N 0 1 222.336 2.061 20 0 BEADMN CCCCOCCNCc1ccc(Cl)nn1 ZINC000876986298 590265321 /nfs/dbraw/zinc/26/53/21/590265321.db2.gz AIZDIYGGJFJMED-UHFFFAOYSA-N 0 1 243.738 2.036 20 0 BEADMN CC(C)C[C@@H](O)CNCc1nc(Cl)cs1 ZINC000876988316 590265679 /nfs/dbraw/zinc/26/56/79/590265679.db2.gz YSZJZWVPSNVFGE-MRVPVSSYSA-N 0 1 248.779 2.293 20 0 BEADMN COCC[C@H](C)NCc1nc(Cl)cs1 ZINC000876994354 590266162 /nfs/dbraw/zinc/26/61/62/590266162.db2.gz HHXYPWJSTOVYFT-ZETCQYMHSA-N 0 1 234.752 2.311 20 0 BEADMN CCC[C@@H](CC)C(=O)N1CCNC[C@H]1C(C)C ZINC000876999045 590267247 /nfs/dbraw/zinc/26/72/47/590267247.db2.gz VCZBRUAETCEIRK-OLZOCXBDSA-N 0 1 240.391 2.269 20 0 BEADMN CCC/C(C)=C\C(=O)N1CCNC[C@H]1C(C)C ZINC000876998605 590267360 /nfs/dbraw/zinc/26/73/60/590267360.db2.gz KETGHQQCNTUVGU-SUIFULHWSA-N 0 1 238.375 2.189 20 0 BEADMN CC[C@@H](CCO)NCc1nc(Cl)cs1 ZINC000877054500 590275279 /nfs/dbraw/zinc/27/52/79/590275279.db2.gz HYZWUNDSAJPPEH-ZETCQYMHSA-N 0 1 234.752 2.047 20 0 BEADMN CO[C@@H](CNCc1cccnc1F)CC(C)C ZINC000877489600 590339738 /nfs/dbraw/zinc/33/97/38/590339738.db2.gz WAUMJGOZAWJAJM-GFCCVEGCSA-N 0 1 240.322 2.371 20 0 BEADMN CC[C@@H](NCc1nc(Cl)cs1)C(C)(C)O ZINC000877552020 590355333 /nfs/dbraw/zinc/35/53/33/590355333.db2.gz ILFWHGRZYWUWLL-SSDOTTSWSA-N 0 1 248.779 2.436 20 0 BEADMN CC[C@H](NCc1nc(Cl)cs1)[C@H](C)O ZINC000877569021 590361642 /nfs/dbraw/zinc/36/16/42/590361642.db2.gz XYJZNVWVUDZWKO-BQBZGAKWSA-N 0 1 234.752 2.046 20 0 BEADMN CSC1CCN(Cc2cnc(C)cn2)CC1 ZINC000877662939 590385410 /nfs/dbraw/zinc/38/54/10/590385410.db2.gz AEYQQPXJPJSTJP-UHFFFAOYSA-N 0 1 237.372 2.112 20 0 BEADMN C[C@@H](CSC(C)(C)C)NCc1ncc[nH]1 ZINC000877672379 590389368 /nfs/dbraw/zinc/38/93/68/590389368.db2.gz DAQZGYZGSMVXGB-VIFPVBQESA-N 0 1 227.377 2.420 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(F)ncc2F)[C@@H](C)O1 ZINC000877682738 590391011 /nfs/dbraw/zinc/39/10/11/590391011.db2.gz PSGNCMBWINULRU-XLDPMVHQSA-N 0 1 242.269 2.015 20 0 BEADMN C[C@@H]1C[C@@H](NCc2cc(F)ncc2F)[C@@H](C)O1 ZINC000877682736 590391250 /nfs/dbraw/zinc/39/12/50/590391250.db2.gz PSGNCMBWINULRU-SOCHQFKDSA-N 0 1 242.269 2.015 20 0 BEADMN C[C@@H]1C[C@H](NCc2nc(Cl)cs2)[C@@H](C)O1 ZINC000877683226 590391403 /nfs/dbraw/zinc/39/14/03/590391403.db2.gz URESKCMZBCLFTJ-PRJMDXOYSA-N 0 1 246.763 2.452 20 0 BEADMN c1csc(CN2CC[C@H]3CSC[C@H]3C2)n1 ZINC000877737946 590404811 /nfs/dbraw/zinc/40/48/11/590404811.db2.gz JAIPPNMWVQEBLU-VHSXEESVSA-N 0 1 240.397 2.328 20 0 BEADMN CC[C@](C)(CN1CC(OC(C)(C)C)C1)OC ZINC000877770349 590420946 /nfs/dbraw/zinc/42/09/46/590420946.db2.gz UOERQDKDHBCRQW-CYBMUJFWSA-N 0 1 229.364 2.301 20 0 BEADMN FC(F)(F)SCCSc1cn[nH]n1 ZINC000877889557 590440000 /nfs/dbraw/zinc/44/00/00/590440000.db2.gz LXYFRIVPJIMBFO-UHFFFAOYSA-N 0 1 229.252 2.150 20 0 BEADMN C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000877899275 590442671 /nfs/dbraw/zinc/44/26/71/590442671.db2.gz ZSFGFYGVEVMDIK-VXGBXAGGSA-N 0 1 241.375 2.301 20 0 BEADMN C[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)[C@H](C)CO1 ZINC000877920795 590447752 /nfs/dbraw/zinc/44/77/52/590447752.db2.gz XFSXBLOGXCPGBW-UPJWGTAASA-N 0 1 239.359 2.055 20 0 BEADMN CO[C@H]1C[C@@H](CN2CCn3cccc3[C@@H]2C)C1 ZINC000877923896 590448288 /nfs/dbraw/zinc/44/82/88/590448288.db2.gz ZQQYJKVHVNBIJJ-RWMBFGLXSA-N 0 1 234.343 2.290 20 0 BEADMN CCC[C@H](C)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877922156 590448468 /nfs/dbraw/zinc/44/84/68/590448468.db2.gz ICKYMXTXLAGBDR-OUJBWJOFSA-N 0 1 249.358 2.380 20 0 BEADMN Cc1cccnc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000877927989 590449177 /nfs/dbraw/zinc/44/91/77/590449177.db2.gz JVROOSVLSHBZRE-GFCCVEGCSA-N 0 1 249.358 2.305 20 0 BEADMN C[N@@H+](CCCC1CC1)CC(=O)NC(C)(C)C ZINC000877940399 590453273 /nfs/dbraw/zinc/45/32/73/590453273.db2.gz AZYYTJLQWBLCCR-UHFFFAOYSA-N 0 1 226.364 2.023 20 0 BEADMN CC(C)CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000877950151 590454904 /nfs/dbraw/zinc/45/49/04/590454904.db2.gz CBZYPHFXTFKMPO-GWCFXTLKSA-N 0 1 249.358 2.238 20 0 BEADMN Cc1noc(C)c1CN(C)Cc1cc[nH]c(=O)c1 ZINC000877956750 590457094 /nfs/dbraw/zinc/45/70/94/590457094.db2.gz XXBMQWSWVRCGNY-UHFFFAOYSA-N 0 1 247.298 2.024 20 0 BEADMN CC[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCO1 ZINC000877956878 590457664 /nfs/dbraw/zinc/45/76/64/590457664.db2.gz BSVGRHPBFXDTIK-MQYQWHSLSA-N 0 1 239.359 2.055 20 0 BEADMN COC(=O)c1ccc(OC)c(CN(C)C2CC2)c1 ZINC000877966637 590460916 /nfs/dbraw/zinc/46/09/16/590460916.db2.gz RILNDPDQDLMBQX-UHFFFAOYSA-N 0 1 249.310 2.076 20 0 BEADMN CC1(C)CC[C@H](CN2CCOCC2(C)C)OC1 ZINC000877996002 590469105 /nfs/dbraw/zinc/46/91/05/590469105.db2.gz MSKUUYRWRMLOEM-GFCCVEGCSA-N 0 1 241.375 2.302 20 0 BEADMN CCCN(CC)CC(=O)Nc1ncccc1C ZINC000878001846 590469538 /nfs/dbraw/zinc/46/95/38/590469538.db2.gz FJUASQOAQJWPSE-UHFFFAOYSA-N 0 1 235.331 2.060 20 0 BEADMN C[C@@H](CN(C)CCS(C)(=O)=O)CC(C)(C)C ZINC000878044828 590480632 /nfs/dbraw/zinc/48/06/32/590480632.db2.gz NDIWTHCRVOIJJO-LLVKDONJSA-N 0 1 249.420 2.035 20 0 BEADMN Cc1ccc(CN(C)[C@H]2CCOC2)nc1Cl ZINC000878083693 590488486 /nfs/dbraw/zinc/48/84/86/590488486.db2.gz DAZUYHJQEQOZMD-NSHDSACASA-N 0 1 240.734 2.264 20 0 BEADMN CC[C@@H]1COCCN1C[C@H]1CCC(C)(C)CO1 ZINC000878109749 590496186 /nfs/dbraw/zinc/49/61/86/590496186.db2.gz ZSJVFZHUSJFGMN-CHWSQXEVSA-N 0 1 241.375 2.302 20 0 BEADMN COC1CCC(N(C)Cc2nocc2C)CC1 ZINC000878108628 590496602 /nfs/dbraw/zinc/49/66/02/590496602.db2.gz HIZCQDHLVDHKBH-UHFFFAOYSA-N 0 1 238.331 2.372 20 0 BEADMN Cc1ccc(CN(C)CC[C@@H](C)O)nc1Cl ZINC000878133383 590503799 /nfs/dbraw/zinc/50/37/99/590503799.db2.gz KCYBXXBIGTWQQG-SNVBAGLBSA-N 0 1 242.750 2.246 20 0 BEADMN CN(CC[C@H]1CCCC1(F)F)Cc1nnc[nH]1 ZINC000878175889 590516002 /nfs/dbraw/zinc/51/60/02/590516002.db2.gz FJRXDJDDAFEICY-SECBINFHSA-N 0 1 244.289 2.062 20 0 BEADMN CC(C)CN(C)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878181088 590517506 /nfs/dbraw/zinc/51/75/06/590517506.db2.gz KXAAKFYPRCWGHH-GXFFZTMASA-N 0 1 249.358 2.190 20 0 BEADMN C[C@@H]1[C@H](C)OCCN1C[C@H]1CCCC(C)(C)O1 ZINC000878197842 590522857 /nfs/dbraw/zinc/52/28/57/590522857.db2.gz QLLRAQZOAXVALH-FRRDWIJNSA-N 0 1 241.375 2.443 20 0 BEADMN CC(C)(C)OC(=O)[C@H](C1CC1)N1CC[C@@H]2C[C@@H]21 ZINC000878317915 590543638 /nfs/dbraw/zinc/54/36/38/590543638.db2.gz UEZXSKZYXDITMV-WOPDTQHZSA-N 0 1 237.343 2.201 20 0 BEADMN Cc1conc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000878328116 590547097 /nfs/dbraw/zinc/54/70/97/590547097.db2.gz BBMSKIBYBIDUCD-NXEZZACHSA-N 0 1 208.305 2.461 20 0 BEADMN C=C/C=C\CCN1CCC[C@@H]1c1nncn1C ZINC000878333884 590548151 /nfs/dbraw/zinc/54/81/51/590548151.db2.gz IFFSLAXPBGZRJE-QMAVJUDZSA-N 0 1 232.331 2.084 20 0 BEADMN CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000878347627 590552936 /nfs/dbraw/zinc/55/29/36/590552936.db2.gz OTHMWRJIGYCNSE-GXFFZTMASA-N 0 1 249.358 2.333 20 0 BEADMN C[C@@H]1CN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H](C)O1 ZINC000878381380 590557053 /nfs/dbraw/zinc/55/70/53/590557053.db2.gz OXCZKKZYSZAHRR-BJJPWKGXSA-N 0 1 239.359 2.053 20 0 BEADMN CC[C@@H](NCc1nocc1C)[C@@H]1CCCO1 ZINC000878412910 590562674 /nfs/dbraw/zinc/56/26/74/590562674.db2.gz BIILIXDMLRZMBH-PWSUYJOCSA-N 0 1 224.304 2.030 20 0 BEADMN C=C/C=C\CCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000878440562 590568849 /nfs/dbraw/zinc/56/88/49/590568849.db2.gz KKTOHNJTUSZRJQ-JHZNUDOXSA-N 0 1 249.354 2.189 20 0 BEADMN Cc1conc1CN1CC[C@@H](c2ccccn2)C1 ZINC000878552384 590590457 /nfs/dbraw/zinc/59/04/57/590590457.db2.gz CRKNMBRMJPSHKT-GFCCVEGCSA-N 0 1 243.310 2.368 20 0 BEADMN C=C/C=C\CC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000878549356 590590607 /nfs/dbraw/zinc/59/06/07/590590607.db2.gz FHKQVBZNMROLGM-DLRQAJBASA-N 0 1 249.314 2.087 20 0 BEADMN CCN(CC(C)=O)[C@@H](C)[C@H](O)c1ccccc1 ZINC000878635713 590598163 /nfs/dbraw/zinc/59/81/63/590598163.db2.gz OQBRVKFJCKWHDF-JSGCOSHPSA-N 0 1 235.327 2.019 20 0 BEADMN CC(C)N(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1COC1 ZINC000878657307 590603515 /nfs/dbraw/zinc/60/35/15/590603515.db2.gz CRUZNIAZKCRENE-UBHSHLNASA-N 0 1 239.359 2.053 20 0 BEADMN CC1(C)CCC[C@H](CN2CC[C@@H](F)C2)O1 ZINC000878663034 590605354 /nfs/dbraw/zinc/60/53/54/590605354.db2.gz GHLHWOWIAJNJTP-GHMZBOCLSA-N 0 1 215.312 2.378 20 0 BEADMN CC(C)[C@@H](O)CCN1CCC=C(Cl)C1 ZINC000878790349 590622713 /nfs/dbraw/zinc/62/27/13/590622713.db2.gz RBVORSGDQWHPRL-NSHDSACASA-N 0 1 217.740 2.222 20 0 BEADMN FC(F)(F)OCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000878811192 590626454 /nfs/dbraw/zinc/62/64/54/590626454.db2.gz DBWOMOJCABDZBN-KNVOCYPGSA-N 0 1 245.191 2.110 20 0 BEADMN CC1(C)CN(CCCC2CC2)[C@@H]2COC[C@H]2O1 ZINC000878813487 590627337 /nfs/dbraw/zinc/62/73/37/590627337.db2.gz KVSMPVCLUXRUBZ-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN CC[N@@H+]1[C@H](C)CN(C/C=C\Cl)C[C@@H]1C ZINC000878836799 590630691 /nfs/dbraw/zinc/63/06/91/590630691.db2.gz KWMGBFDBJNJFNN-UORZZXJBSA-N 0 1 216.756 2.153 20 0 BEADMN CN(Cc1cnc[nH]1)C[C@H]1CCCC(C)(C)O1 ZINC000878884777 590639814 /nfs/dbraw/zinc/63/98/14/590639814.db2.gz LTWSIIZMEFBJPQ-GFCCVEGCSA-N 0 1 237.347 2.189 20 0 BEADMN CO[C@H]1C[C@@H](CN2CCC[C@H]2c2ncccn2)C1 ZINC000878979609 590666823 /nfs/dbraw/zinc/66/68/23/590666823.db2.gz ZCUIYRMJUXNTHR-XQQFMLRXSA-N 0 1 247.342 2.039 20 0 BEADMN c1cnc2c(n1)CCN(CCCC1CC1)C2 ZINC000878993360 590673191 /nfs/dbraw/zinc/67/31/91/590673191.db2.gz ZWKPTRNYOKFWSC-UHFFFAOYSA-N 0 1 217.316 2.025 20 0 BEADMN C=C/C=C/CCN1CCO[C@@](C)(C(F)F)C1 ZINC000879009394 590677256 /nfs/dbraw/zinc/67/72/56/590677256.db2.gz XADNKZFJSOVOHM-ZYOFXKKJSA-N 0 1 231.286 2.475 20 0 BEADMN O[C@@H](c1ccccc1)[C@H]1CCCN1CCF ZINC000879241691 590719242 /nfs/dbraw/zinc/71/92/42/590719242.db2.gz BMPDXXIQZLVELM-OLZOCXBDSA-N 0 1 223.291 2.154 20 0 BEADMN O[C@H](c1ccccc1)[C@H]1CCCN1CCF ZINC000879241690 590719287 /nfs/dbraw/zinc/71/92/87/590719287.db2.gz BMPDXXIQZLVELM-CHWSQXEVSA-N 0 1 223.291 2.154 20 0 BEADMN CO[C@H]1CC[C@@H](C)N(Cc2ccncc2F)C1 ZINC000879327214 590747692 /nfs/dbraw/zinc/74/76/92/590747692.db2.gz VMXIQXLGDKPHQI-PWSUYJOCSA-N 0 1 238.306 2.220 20 0 BEADMN CC(C)=CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879721566 590854500 /nfs/dbraw/zinc/85/45/00/590854500.db2.gz MBSYXFJVFJUNSG-GWCFXTLKSA-N 0 1 247.342 2.158 20 0 BEADMN C[C@@H]1CCN[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000127987284 590864595 /nfs/dbraw/zinc/86/45/95/590864595.db2.gz KBYVKHIBAHIRTR-SCZZXKLOSA-N 0 1 233.271 2.390 20 0 BEADMN Cn1ncc(C[N@H+]2CC[C@]2(C)C2CCCCC2)n1 ZINC000879789890 590869361 /nfs/dbraw/zinc/86/93/61/590869361.db2.gz IAQSQBANLYNONW-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN Cn1ncc(CN2CC[C@]2(C)C2CCCCC2)n1 ZINC000879789890 590869364 /nfs/dbraw/zinc/86/93/64/590869364.db2.gz IAQSQBANLYNONW-CQSZACIVSA-N 0 1 248.374 2.360 20 0 BEADMN C[C@]1(C(F)(F)F)CCN(CCOC(F)F)C1 ZINC000880004178 590909042 /nfs/dbraw/zinc/90/90/42/590909042.db2.gz RBOPNXWIPXOQMO-QMMMGPOBSA-N 0 1 247.207 2.500 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@@H](C(C)(C)O)C2)o1 ZINC000880147912 590945500 /nfs/dbraw/zinc/94/55/00/590945500.db2.gz LJAJVADLYNKPSZ-WDEREUQCSA-N 0 1 238.331 2.137 20 0 BEADMN Cc1cnc([C@H](C)N2CC[C@H](C(C)(C)O)C2)o1 ZINC000880147911 590945510 /nfs/dbraw/zinc/94/55/10/590945510.db2.gz LJAJVADLYNKPSZ-QWRGUYRKSA-N 0 1 238.331 2.137 20 0 BEADMN COc1ccc(CN2CCC[C@H](CF)C2)cn1 ZINC000880234787 590965423 /nfs/dbraw/zinc/96/54/23/590965423.db2.gz WJEIARXMDDDRJE-LLVKDONJSA-N 0 1 238.306 2.272 20 0 BEADMN COc1cc(CN2CCC(F)CC2)ccn1 ZINC000880240294 590973894 /nfs/dbraw/zinc/97/38/94/590973894.db2.gz TUSUJIBYWXVOEP-UHFFFAOYSA-N 0 1 224.279 2.024 20 0 BEADMN CCC(CC)NC(=O)[C@H](C)N1CCC(F)CC1 ZINC000880242771 590975162 /nfs/dbraw/zinc/97/51/62/590975162.db2.gz KLXGGSLAHZKJJV-JTQLQIEISA-N 0 1 244.354 2.114 20 0 BEADMN Cc1ccc2nc(CN3CC[C@H](CF)C3)cn2c1 ZINC000880295704 590990194 /nfs/dbraw/zinc/99/01/94/590990194.db2.gz NKFIZWBBTHHUGM-GFCCVEGCSA-N 0 1 247.317 2.434 20 0 BEADMN Cc1cnc(CN2CC[C@H](CF)C2)s1 ZINC000880299892 590995423 /nfs/dbraw/zinc/99/54/23/590995423.db2.gz ZNSDOCWFGWMNHL-SECBINFHSA-N 0 1 214.309 2.243 20 0 BEADMN FC[C@H]1CCN(Cc2cccc(F)n2)C1 ZINC000880299946 590995663 /nfs/dbraw/zinc/99/56/63/590995663.db2.gz MUAFZVNLXQLUAJ-SECBINFHSA-N 0 1 212.243 2.012 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cc(F)ccc1F ZINC000880438983 591040412 /nfs/dbraw/zinc/04/04/12/591040412.db2.gz HGJUZLYKVRVXIE-BXKDBHETSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1cccc(Cl)n1 ZINC000880438927 591040482 /nfs/dbraw/zinc/04/04/82/591040482.db2.gz FDCHHAOMMDSCKO-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1c(F)cccc1F ZINC000880439567 591041597 /nfs/dbraw/zinc/04/15/97/591041597.db2.gz DLHAATYSNXFMJL-NXEZZACHSA-N 0 1 241.281 2.310 20 0 BEADMN C[C@@H]1CC[C@H](CO)N1Cc1ccc(Cl)nc1 ZINC000880442989 591044296 /nfs/dbraw/zinc/04/42/96/591044296.db2.gz AIFHUFRKWYJEJA-MWLCHTKSSA-N 0 1 240.734 2.080 20 0 BEADMN COCCCN1CCc2cc(F)c(F)cc2C1 ZINC000880444564 591045940 /nfs/dbraw/zinc/04/59/40/591045940.db2.gz NRFPIBQHQYXCHC-UHFFFAOYSA-N 0 1 241.281 2.359 20 0 BEADMN CCCS(=O)(=O)CCN(CC)[C@@H](C)C(C)C ZINC000128448181 591058502 /nfs/dbraw/zinc/05/85/02/591058502.db2.gz GJLWCRSBHUGCGU-LBPRGKRZSA-N 0 1 249.420 2.178 20 0 BEADMN CCCOc1cccc(CN2CC=C[C@H]2CO)c1 ZINC000880492188 591067649 /nfs/dbraw/zinc/06/76/49/591067649.db2.gz OXXLNLCNCKYVOR-AWEZNQCLSA-N 0 1 247.338 2.208 20 0 BEADMN C[C@H]1CCN1C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000881480994 591211480 /nfs/dbraw/zinc/21/14/80/591211480.db2.gz GAUSRGXJZOUATR-LURJTMIESA-N 0 1 239.706 2.175 20 0 BEADMN Cc1n[nH]c(C(=O)NCC2(CC3CC3)CC2)c1C ZINC000881517956 591227247 /nfs/dbraw/zinc/22/72/47/591227247.db2.gz NXLABZXRRVSVFI-UHFFFAOYSA-N 0 1 247.342 2.337 20 0 BEADMN O=C(CCc1cnc[nH]1)NCC1(CC2CC2)CC1 ZINC000881519943 591227946 /nfs/dbraw/zinc/22/79/46/591227946.db2.gz FZEACZUXLKAFGB-UHFFFAOYSA-N 0 1 247.342 2.039 20 0 BEADMN CN1CCCC[C@@H]1C(=O)NC[C@@]1(C)CC1(C)C ZINC000881541969 591235158 /nfs/dbraw/zinc/23/51/58/591235158.db2.gz JIOVUAMRIDLNTJ-BXUZGUMPSA-N 0 1 238.375 2.023 20 0 BEADMN CN(CC(=O)NC[C@@]1(C)CC1(C)C)C1CCC1 ZINC000881544288 591237108 /nfs/dbraw/zinc/23/71/08/591237108.db2.gz ASWQFKNQGCFDDB-CQSZACIVSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC000882479476 591356909 /nfs/dbraw/zinc/35/69/09/591356909.db2.gz XEIGMFIONLZXHW-ZDUSSCGKSA-N 0 1 246.354 2.127 20 0 BEADMN CCC[C@@H](C)CC(=O)NC[C@H]1CCN1CC ZINC000882485040 591362354 /nfs/dbraw/zinc/36/23/54/591362354.db2.gz FCLSPTAAGRUMGM-VXGBXAGGSA-N 0 1 226.364 2.023 20 0 BEADMN CCC(CC)[C@@H](C)C(=O)NC[C@H]1CCN1CC ZINC000882488356 591363805 /nfs/dbraw/zinc/36/38/05/591363805.db2.gz CNPIFOCCALXJDO-DGCLKSJQSA-N 0 1 240.391 2.269 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000882487169 591363848 /nfs/dbraw/zinc/36/38/48/591363848.db2.gz AXXFBSPZKYMODX-YNEHKIRRSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000882489910 591366813 /nfs/dbraw/zinc/36/68/13/591366813.db2.gz HARPPQVNJULZKJ-RYUDHWBXSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC000882488718 591367181 /nfs/dbraw/zinc/36/71/81/591367181.db2.gz WXZQOCWWDZZDFM-LBPRGKRZSA-N 0 1 240.391 2.269 20 0 BEADMN CCC(CC)CC(=O)NC[C@@H]1CCN1CC ZINC000882488996 591367822 /nfs/dbraw/zinc/36/78/22/591367822.db2.gz KORPCZJRVKIDCX-LBPRGKRZSA-N 0 1 226.364 2.023 20 0 BEADMN CCCC[C@@H](C)C(=O)NC[C@@H]1CCN1CC ZINC000882491317 591368100 /nfs/dbraw/zinc/36/81/00/591368100.db2.gz DRMJTKYDHVLEPI-NEPJUHHUSA-N 0 1 226.364 2.023 20 0 BEADMN CCC[C@@](C)(CC)C(=O)NC[C@@H]1CCN1CC ZINC000882492673 591371831 /nfs/dbraw/zinc/37/18/31/591371831.db2.gz SEAYHVBUVVQPGF-GXTWGEPZSA-N 0 1 240.391 2.413 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000882492181 591373148 /nfs/dbraw/zinc/37/31/48/591373148.db2.gz PZGUZPPAXKPLFN-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CC[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC ZINC000882493743 591375076 /nfs/dbraw/zinc/37/50/76/591375076.db2.gz LDOSNJAKGHRNFW-FRRDWIJNSA-N 0 1 238.375 2.023 20 0 BEADMN CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[C@@H]1C ZINC000882496125 591378751 /nfs/dbraw/zinc/37/87/51/591378751.db2.gz YJGSWLCQWLXQCK-XQQFMLRXSA-N 0 1 238.375 2.023 20 0 BEADMN CCC[C@H](CC)C(=O)NC[C@H]1CCN1CC ZINC000882498246 591379243 /nfs/dbraw/zinc/37/92/43/591379243.db2.gz SECIRKQEGHZNHC-NWDGAFQWSA-N 0 1 226.364 2.023 20 0 BEADMN C[C@H]1CCN(C(=O)[C@H](N)c2ccccc2)C[C@H]1C ZINC000129767311 591401828 /nfs/dbraw/zinc/40/18/28/591401828.db2.gz QNBVJVUNGNGMDR-OUCADQQQSA-N 0 1 246.354 2.191 20 0 BEADMN FC(F)(F)c1cnccc1NC1CSC1 ZINC000882625406 591402711 /nfs/dbraw/zinc/40/27/11/591402711.db2.gz HWKROKLQKGXPLR-UHFFFAOYSA-N 0 1 234.246 2.050 20 0 BEADMN Cc1cccc(NC[C@H](CO)Cc2ccoc2)n1 ZINC000882866782 591457987 /nfs/dbraw/zinc/45/79/87/591457987.db2.gz WNRSBKZXNGNCTF-CYBMUJFWSA-N 0 1 246.310 2.246 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@@](C)(O)C(C)C)n1 ZINC000882993737 591499484 /nfs/dbraw/zinc/49/94/84/591499484.db2.gz GTQLPDYWWGOXCP-CYBMUJFWSA-N 0 1 239.363 2.030 20 0 BEADMN COC[C@@H](NCc1nc(C(C)C)c[nH]1)C(C)C ZINC000883018106 591516356 /nfs/dbraw/zinc/51/63/56/591516356.db2.gz OCZPXNHNEHKIJS-GFCCVEGCSA-N 0 1 239.363 2.294 20 0 BEADMN CC(C)c1c[nH]c(CNC[C@H]2CCC=CO2)n1 ZINC000883098480 591539637 /nfs/dbraw/zinc/53/96/37/591539637.db2.gz PSNJKXCCEZPNGR-LLVKDONJSA-N 0 1 235.331 2.315 20 0 BEADMN CC[C@H](CNCc1nc(C(C)C)c[nH]1)OC ZINC000883123015 591542756 /nfs/dbraw/zinc/54/27/56/591542756.db2.gz IHWNWIRAOJMDAG-SNVBAGLBSA-N 0 1 225.336 2.048 20 0 BEADMN CO[C@@H]1CCC[C@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883134776 591548633 /nfs/dbraw/zinc/54/86/33/591548633.db2.gz IUFZHBMQMXQOKX-ZYHUDNBSSA-N 0 1 237.347 2.190 20 0 BEADMN CON(C)CCNCc1c(F)cccc1Cl ZINC000883173210 591563048 /nfs/dbraw/zinc/56/30/48/591563048.db2.gz FQCNXNFKMADLQQ-UHFFFAOYSA-N 0 1 246.713 2.062 20 0 BEADMN CC(C)c1c[nH]c(CN[C@H]2CO[C@H](C3CC3)C2)n1 ZINC000883190467 591567826 /nfs/dbraw/zinc/56/78/26/591567826.db2.gz DIRYZNMYIXFREV-YPMHNXCESA-N 0 1 249.358 2.190 20 0 BEADMN Cc1cc([C@@H](C)NCCc2ccns2)no1 ZINC000883247323 591588102 /nfs/dbraw/zinc/58/81/02/591588102.db2.gz GSMLZLNLWPVXKH-SECBINFHSA-N 0 1 237.328 2.333 20 0 BEADMN C[C@H](NC[C@H]1CCC(C)(C)CO1)c1ncc[nH]1 ZINC000883249542 591591409 /nfs/dbraw/zinc/59/14/09/591591409.db2.gz JLRQKAPSFNDSIJ-WDEREUQCSA-N 0 1 237.347 2.266 20 0 BEADMN CCC[C@@H]1CCC[N@@H+](CCCC(=O)[O-])C1 ZINC000131398512 591607036 /nfs/dbraw/zinc/60/70/36/591607036.db2.gz VGUDUYKZYIVZIG-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN Cc1ccc(CN[C@H]2CO[C@H](C)C2)c(Cl)n1 ZINC000883293613 591609431 /nfs/dbraw/zinc/60/94/31/591609431.db2.gz ZLGXLJPXEYSJIT-MWLCHTKSSA-N 0 1 240.734 2.310 20 0 BEADMN C[C@H]1CC[C@H]1NC1(c2ncccn2)CCC1 ZINC000883312236 591612082 /nfs/dbraw/zinc/61/20/82/591612082.db2.gz XSRXZVBRSSORJT-WDEREUQCSA-N 0 1 217.316 2.244 20 0 BEADMN C[C@@H]1C[C@H](NCc2cc(O)ccc2Cl)CO1 ZINC000883324991 591616385 /nfs/dbraw/zinc/61/63/85/591616385.db2.gz LKLDLVRDTRUCBU-SCZZXKLOSA-N 0 1 241.718 2.313 20 0 BEADMN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1ncc[nH]1 ZINC000883357341 591627744 /nfs/dbraw/zinc/62/77/44/591627744.db2.gz JKBOXFBEKNWDIJ-WDEREUQCSA-N 0 1 235.331 2.162 20 0 BEADMN COC(=O)/C(C)=C\CN(C)Cc1cccs1 ZINC000214595112 591636145 /nfs/dbraw/zinc/63/61/45/591636145.db2.gz KYHRGGNDLUTHPR-POHAHGRESA-N 0 1 239.340 2.299 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883404795 591649942 /nfs/dbraw/zinc/64/99/42/591649942.db2.gz NOODKTGDJTZNSK-DTWKUNHWSA-N 0 1 235.274 2.217 20 0 BEADMN C=C/C=C/CC[N@H+](CC(=O)[O-])C1CCC1 ZINC000883408921 591650838 /nfs/dbraw/zinc/65/08/38/591650838.db2.gz JPZMKUDLGJSCOX-ONEGZZNKSA-N 0 1 209.289 2.058 20 0 BEADMN CC[C@@H]1C[C@H](CN[C@@H](C)C(F)F)CCO1 ZINC000883407423 591650911 /nfs/dbraw/zinc/65/09/11/591650911.db2.gz VNFKMNDZVPJKGV-IVZWLZJFSA-N 0 1 221.291 2.435 20 0 BEADMN O=C([O-])C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883412509 591651116 /nfs/dbraw/zinc/65/11/16/591651116.db2.gz GCHKPXAEZRXLON-CABZTGNLSA-N 0 1 217.268 2.005 20 0 BEADMN COc1cccc(C[N@@H+](C)C/C=C(\C)C(=O)[O-])c1 ZINC000214708136 591738421 /nfs/dbraw/zinc/73/84/21/591738421.db2.gz NGIYAFSMOZIZFF-YRNVUSSQSA-N 0 1 249.310 2.158 20 0 BEADMN C/C(=C\C[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000214756741 591781685 /nfs/dbraw/zinc/78/16/85/591781685.db2.gz DWYJILUZUWFYSG-UXBLZVDNSA-N 0 1 211.305 2.138 20 0 BEADMN CCn1cc(CN2CCC[C@@H]2C(C)(C)C)nn1 ZINC000884001484 591791036 /nfs/dbraw/zinc/79/10/36/591791036.db2.gz QIVSBIXIPBIBJA-GFCCVEGCSA-N 0 1 236.363 2.309 20 0 BEADMN CC[S@](=O)CCN[C@H](C)c1ccc(C)o1 ZINC000133512524 591809958 /nfs/dbraw/zinc/80/99/58/591809958.db2.gz YTZQPIGLOXDMJR-MEBBXXQBSA-N 0 1 229.345 2.007 20 0 BEADMN CC[S@@](=O)CCN[C@H](C)c1ccc(C)o1 ZINC000133512314 591810134 /nfs/dbraw/zinc/81/01/34/591810134.db2.gz YTZQPIGLOXDMJR-BMIGLBTASA-N 0 1 229.345 2.007 20 0 BEADMN Cc1nc([C@H](C)OC(=O)C[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC000884640268 592000130 /nfs/dbraw/zinc/00/01/30/592000130.db2.gz YUJXAKPELCVTTD-SWPVVBRQSA-N 0 1 249.314 2.154 20 0 BEADMN CC(C)CONC(=O)[C@H]1Cc2ccccc21 ZINC000135342588 592008578 /nfs/dbraw/zinc/00/85/78/592008578.db2.gz XRCOEGXGPVQTLS-LBPRGKRZSA-N 0 1 219.284 2.030 20 0 BEADMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1CCC1 ZINC000885255918 592060716 /nfs/dbraw/zinc/06/07/16/592060716.db2.gz YNMDJKLIFGNMHV-NOZJJQNGSA-N 0 1 248.326 2.419 20 0 BEADMN C/C=C\COC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885258463 592061319 /nfs/dbraw/zinc/06/13/19/592061319.db2.gz HOMSFJAFIQIKNW-CWTZTINKSA-N 0 1 234.299 2.195 20 0 BEADMN CCCOC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885268921 592061878 /nfs/dbraw/zinc/06/18/78/592061878.db2.gz RRYGYBYJCZUIPZ-LDYMZIIASA-N 0 1 222.288 2.029 20 0 BEADMN CCCOC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885268919 592062049 /nfs/dbraw/zinc/06/20/49/592062049.db2.gz RRYGYBYJCZUIPZ-KCJUWKMLSA-N 0 1 222.288 2.029 20 0 BEADMN CC[C@@H]1CC[C@H](C)[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000136272974 592103874 /nfs/dbraw/zinc/10/38/74/592103874.db2.gz AOJWHTOZBFKGOG-MHTFJADPSA-N 0 1 211.305 2.280 20 0 BEADMN CC1(C)CN(C[C@H]2CC[C@H](C3CC3)O2)CCO1 ZINC000885931370 592109602 /nfs/dbraw/zinc/10/96/02/592109602.db2.gz SNGIXPLASRRMTA-CHWSQXEVSA-N 0 1 239.359 2.055 20 0 BEADMN CC1(C)COCCN1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885964454 592117282 /nfs/dbraw/zinc/11/72/82/592117282.db2.gz AOMBHEMWHBOLSE-OLZOCXBDSA-N 0 1 239.359 2.055 20 0 BEADMN Cc1coc(CNCC[S@@](=O)C(C)(C)C)c1 ZINC000885990705 592123455 /nfs/dbraw/zinc/12/34/55/592123455.db2.gz NQBJTBJSQLMQQI-MRXNPFEDSA-N 0 1 243.372 2.225 20 0 BEADMN COc1ccc(NCc2n[nH]c(C)c2C)cn1 ZINC000886021634 592134124 /nfs/dbraw/zinc/13/41/24/592134124.db2.gz ZJONLVUGSKKFEM-UHFFFAOYSA-N 0 1 232.287 2.042 20 0 BEADMN Cc1[nH]nc(CNc2ccc(N(C)C)cn2)c1C ZINC000886025755 592134642 /nfs/dbraw/zinc/13/46/42/592134642.db2.gz JGGFHSLXIZMOQG-UHFFFAOYSA-N 0 1 245.330 2.100 20 0 BEADMN COc1ccc(NCc2n[nH]c(C)c2C)c(C)n1 ZINC000886042159 592138689 /nfs/dbraw/zinc/13/86/89/592138689.db2.gz XANXPFKSSPOSTK-UHFFFAOYSA-N 0 1 246.314 2.351 20 0 BEADMN Cc1[nH]nc(CNc2cccnc2C)c1C ZINC000886039226 592139290 /nfs/dbraw/zinc/13/92/90/592139290.db2.gz IEYWKDDPOYPKNC-UHFFFAOYSA-N 0 1 216.288 2.342 20 0 BEADMN c1n[nH]c2c1CCN(CCOC1CCCCC1)C2 ZINC000886080174 592144334 /nfs/dbraw/zinc/14/43/34/592144334.db2.gz AWRKACJIZGVEGJ-UHFFFAOYSA-N 0 1 249.358 2.117 20 0 BEADMN Cc1nnc([C@@H](C)NCC[C@@H]2C[C@H]2C2CC2)o1 ZINC000886132405 592159476 /nfs/dbraw/zinc/15/94/76/592159476.db2.gz XEFWURSUTSVPPX-FXAINCCUSA-N 0 1 235.331 2.465 20 0 BEADMN CO[C@H]1CCC[C@H](NC(CF)CF)CC1 ZINC000886129624 592159549 /nfs/dbraw/zinc/15/95/49/592159549.db2.gz JVNCLEQANXKXJH-ONGXEEELSA-N 0 1 221.291 2.231 20 0 BEADMN CC[C@H](NCc1cc(C)co1)[C@H](O)C(F)F ZINC000886132341 592159602 /nfs/dbraw/zinc/15/96/02/592159602.db2.gz VXUYQOVNOVZYNN-UWVGGRQHSA-N 0 1 233.258 2.082 20 0 BEADMN Cc1coc(CN[C@@]23C[C@@H]2COC3(C)C)c1 ZINC000886168736 592168625 /nfs/dbraw/zinc/16/86/25/592168625.db2.gz XWZKNXRMTSFJLH-MFKMUULPSA-N 0 1 221.300 2.245 20 0 BEADMN C[C@H]1C[C@@H]1c1ccc(CN[C@]23C[C@H]2COC3)o1 ZINC000886201492 592175340 /nfs/dbraw/zinc/17/53/40/592175340.db2.gz GXYGWMRMWVFKGJ-WRZDFSGXSA-N 0 1 233.311 2.282 20 0 BEADMN CC[C@@H]1C[C@@H](N[C@@H](C)c2ncco2)CCO1 ZINC000886272352 592192470 /nfs/dbraw/zinc/19/24/70/592192470.db2.gz NUIVLKAASAOVHY-GARJFASQSA-N 0 1 224.304 2.283 20 0 BEADMN COc1cccc(NCc2cn[nH]c2C)c1OC ZINC000886275774 592195765 /nfs/dbraw/zinc/19/57/65/592195765.db2.gz LQAXAJCCIIJXBF-UHFFFAOYSA-N 0 1 247.298 2.347 20 0 BEADMN Cc1cc(CNC[C@@H]2CC3(CCC3)CO2)on1 ZINC000886287307 592200896 /nfs/dbraw/zinc/20/08/96/592200896.db2.gz OSUITQLNLLXBMZ-LBPRGKRZSA-N 0 1 236.315 2.032 20 0 BEADMN c1csc(CNC[C@@H]2CC3(CCC3)CO2)n1 ZINC000886289421 592202005 /nfs/dbraw/zinc/20/20/05/592202005.db2.gz VHSDWYPAELFUMJ-JTQLQIEISA-N 0 1 238.356 2.192 20 0 BEADMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C[C@H]1C ZINC000219693452 592239458 /nfs/dbraw/zinc/23/94/58/592239458.db2.gz JAQVLOYIIXPGDP-NTZNESFSSA-N 0 1 233.311 2.400 20 0 BEADMN COC1(CCN[C@@H](C)c2ncco2)CCC1 ZINC000886538962 592251898 /nfs/dbraw/zinc/25/18/98/592251898.db2.gz QTCIZKDYZAQRSQ-JTQLQIEISA-N 0 1 224.304 2.284 20 0 BEADMN C[C@H](NCCC[C@H]1CCOC1)c1ncco1 ZINC000886539352 592254265 /nfs/dbraw/zinc/25/42/65/592254265.db2.gz YHGKOKSIFVPKBQ-QWRGUYRKSA-N 0 1 224.304 2.142 20 0 BEADMN Cc1cnc([C@@H](C)N2C[C@@H]3CSC[C@@H]3C2)o1 ZINC000886568837 592263804 /nfs/dbraw/zinc/26/38/04/592263804.db2.gz XHSYEUFDVKJMSZ-MXWKQRLJSA-N 0 1 238.356 2.339 20 0 BEADMN CC(C)(F)CN[C@@H]1CCc2cccnc21 ZINC000886644967 592287843 /nfs/dbraw/zinc/28/78/43/592287843.db2.gz OWRBIJGAIRINDE-SNVBAGLBSA-N 0 1 208.280 2.407 20 0 BEADMN CONC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000076562324 592315704 /nfs/dbraw/zinc/31/57/04/592315704.db2.gz VBGRRJCXAIHZLF-UHFFFAOYSA-N 0 1 227.691 2.295 20 0 BEADMN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ncc[nH]1 ZINC000139049371 592354526 /nfs/dbraw/zinc/35/45/26/592354526.db2.gz SUJQWFHDHWAXPB-NOZJJQNGSA-N 0 1 242.326 2.330 20 0 BEADMN CC(C)C[C@H](C)N(C)C(=O)CN(C)CCCF ZINC000887138955 592452874 /nfs/dbraw/zinc/45/28/74/592452874.db2.gz SNDMXQRAEVBUEP-LBPRGKRZSA-N 0 1 246.370 2.171 20 0 BEADMN CN(CCCF)Cc1ccc(F)cn1 ZINC000887141368 592456582 /nfs/dbraw/zinc/45/65/82/592456582.db2.gz QDFUZIWIEVOHJI-UHFFFAOYSA-N 0 1 200.232 2.012 20 0 BEADMN Cc1noc([C@@H](C)NC2(C3CC3)CCC2)n1 ZINC000887145126 592460966 /nfs/dbraw/zinc/46/09/66/592460966.db2.gz OLUGLAORIHTNEH-MRVPVSSYSA-N 0 1 221.304 2.361 20 0 BEADMN C[C@@H]1CC[C@H]2C(=O)N([C@H]3CCCSC3)N=C12 ZINC000887299225 592479035 /nfs/dbraw/zinc/47/90/35/592479035.db2.gz SPYYLKPWEPMGRW-KXUCPTDWSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CCc2c1[nH]n([C@H]1CCCSC1)c2=O ZINC000887299225 592479037 /nfs/dbraw/zinc/47/90/37/592479037.db2.gz SPYYLKPWEPMGRW-KXUCPTDWSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CC[C@H]2C(=O)N([C@@H]3CCCSC3)N=C12 ZINC000887299226 592479434 /nfs/dbraw/zinc/47/94/34/592479434.db2.gz SPYYLKPWEPMGRW-OPRDCNLKSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1CCc2c1[nH]n([C@@H]1CCCSC1)c2=O ZINC000887299226 592479436 /nfs/dbraw/zinc/47/94/36/592479436.db2.gz SPYYLKPWEPMGRW-OPRDCNLKSA-N 0 1 238.356 2.126 20 0 BEADMN C[C@@H]1OCC[C@]1(C)NC/C(Cl)=C/Cl ZINC000300362921 592508607 /nfs/dbraw/zinc/50/86/07/592508607.db2.gz CYARENWZAZOVRX-FUMWUMAXSA-N 0 1 224.131 2.463 20 0 BEADMN CCn1cc(CN(C)C[C@H]2CC=CCC2)nn1 ZINC000887546427 592522337 /nfs/dbraw/zinc/52/23/37/592522337.db2.gz QCAXZQDGOHXEPK-LBPRGKRZSA-N 0 1 234.347 2.086 20 0 BEADMN CC[C@H](NC)c1nc(-c2cccc(C)n2)no1 ZINC000110473371 592707456 /nfs/dbraw/zinc/70/74/56/592707456.db2.gz QREIGAMEHBQPOK-VIFPVBQESA-N 0 1 232.287 2.111 20 0 BEADMN C[C@H]1CC[N@@H+](Cc2ccoc2C(=O)[O-])[C@H]1C ZINC000380634016 601450591 /nfs/dbraw/zinc/45/05/91/601450591.db2.gz LHTQTFBKWJFAHO-IUCAKERBSA-N 0 1 223.272 2.208 20 0 BEADMN CN(C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1)C(=O)[O-] ZINC000739659738 602679659 /nfs/dbraw/zinc/67/96/59/602679659.db2.gz KMOXHYLYNHJLTQ-VXGBXAGGSA-N 0 1 238.331 2.027 20 0 BEADMN Cc1cccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000092430974 597071607 /nfs/dbraw/zinc/07/16/07/597071607.db2.gz WVECUSJNGHFRII-LBPRGKRZSA-N 0 1 248.326 2.077 20 0 BEADMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000083662539 597072731 /nfs/dbraw/zinc/07/27/31/597072731.db2.gz DPAZYZOGYPLOPC-WCABBAIRSA-N 0 1 237.299 2.308 20 0 BEADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000083662539 597072734 /nfs/dbraw/zinc/07/27/34/597072734.db2.gz DPAZYZOGYPLOPC-WCABBAIRSA-N 0 1 237.299 2.308 20 0 BEADMN Cc1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000380984178 597073210 /nfs/dbraw/zinc/07/32/10/597073210.db2.gz BOFVONLJCHYWHN-VIFPVBQESA-N 0 1 223.272 2.026 20 0 BEADMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000380984178 597073213 /nfs/dbraw/zinc/07/32/13/597073213.db2.gz BOFVONLJCHYWHN-VIFPVBQESA-N 0 1 223.272 2.026 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)nc1 ZINC000156660097 597352551 /nfs/dbraw/zinc/35/25/51/597352551.db2.gz MWRDXTHEESXSRF-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN O=C([O-])C1([NH2+]Cc2nccs2)CCCCC1 ZINC000041835695 597426887 /nfs/dbraw/zinc/42/68/87/597426887.db2.gz BJBKSPBZZLEWNG-UHFFFAOYSA-N 0 1 240.328 2.020 20 0 BEADMN O=C([O-])[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602631 597428252 /nfs/dbraw/zinc/42/82/52/597428252.db2.gz MUCBENTZGZTPHI-NSHDSACASA-N 0 1 239.340 2.230 20 0 BEADMN C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000709692195 597731278 /nfs/dbraw/zinc/73/12/78/597731278.db2.gz ANBKLDHJMOMEOF-MWLCHTKSSA-N 0 1 239.340 2.086 20 0 BEADMN Cc1ncc(C[N@@H+](C)CCCCC(=O)[O-])s1 ZINC000390329894 597770504 /nfs/dbraw/zinc/77/05/04/597770504.db2.gz KJFLGGQHSSQNDX-UHFFFAOYSA-N 0 1 242.344 2.138 20 0 BEADMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(F)c1F ZINC000037994739 598079340 /nfs/dbraw/zinc/07/93/40/598079340.db2.gz RDXVVAAVYSWZKB-UHFFFAOYSA-N 0 1 243.253 2.260 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726316 598125616 /nfs/dbraw/zinc/12/56/16/598125616.db2.gz UUPRUWSWOZXALC-MVWJERBFSA-N 0 1 249.310 2.452 20 0 BEADMN C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])o1 ZINC000086726316 598125617 /nfs/dbraw/zinc/12/56/17/598125617.db2.gz UUPRUWSWOZXALC-MVWJERBFSA-N 0 1 249.310 2.452 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000083403780 598133507 /nfs/dbraw/zinc/13/35/07/598133507.db2.gz HCVSCHQQNHXAAC-SECBINFHSA-N 0 1 225.313 2.106 20 0 BEADMN C[N@@H+](Cc1ccc[nH]1)Cc1cccc(C(=O)[O-])c1 ZINC000258899327 598211893 /nfs/dbraw/zinc/21/18/93/598211893.db2.gz NZULWZGCYPYNIS-UHFFFAOYSA-N 0 1 244.294 2.345 20 0 BEADMN CCN(Cc1ccoc1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000688532589 598219148 /nfs/dbraw/zinc/21/91/48/598219148.db2.gz HKECIAIMIGRMRB-UHFFFAOYSA-N 0 1 246.266 2.399 20 0 BEADMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000051330402 599848902 /nfs/dbraw/zinc/84/89/02/599848902.db2.gz JOTNTAALPGABJT-MRVPVSSYSA-N 0 1 223.272 2.208 20 0 BEADMN O=C([O-])[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000071425053 600129141 /nfs/dbraw/zinc/12/91/41/600129141.db2.gz SAXWGHNXALNTSB-SNVBAGLBSA-N 0 1 239.340 2.087 20 0 BEADMN O=C([O-])C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000390365425 600273578 /nfs/dbraw/zinc/27/35/78/600273578.db2.gz TZUYMXSJINFTGS-JTQLQIEISA-N 0 1 223.272 2.281 20 0 BEADMN Cn1cccc1[C@H]1CCC[N@H+]1CCCC(=O)[O-] ZINC000739044082 600317483 /nfs/dbraw/zinc/31/74/83/600317483.db2.gz YEUSLNCRSRVMIS-GFCCVEGCSA-N 0 1 236.315 2.027 20 0 BEADMN CC[N@@H+](Cc1ccc(C(=O)[O-])o1)C1CCC1 ZINC000706848590 600432453 /nfs/dbraw/zinc/43/24/53/600432453.db2.gz RCQWOOFXJBVOIR-UHFFFAOYSA-N 0 1 223.272 2.352 20 0 BEADMN Cc1[nH+]cn(Cc2cccc(C(=O)[O-])c2)c1C ZINC000051926161 600613720 /nfs/dbraw/zinc/61/37/20/600613720.db2.gz HKSRAUCPVBUQPW-UHFFFAOYSA-N 0 1 230.267 2.246 20 0 BEADMN CCCCCC[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000035296636 600712553 /nfs/dbraw/zinc/71/25/53/600712553.db2.gz MANFRRNHOVAQTR-LLVKDONJSA-N 0 1 213.321 2.363 20 0 BEADMN CCCCCC[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000061173627 600712693 /nfs/dbraw/zinc/71/26/93/600712693.db2.gz DUISSDWJLMTSQW-UHFFFAOYSA-N 0 1 201.310 2.362 20 0 BEADMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)[O-] ZINC000261531761 600834808 /nfs/dbraw/zinc/83/48/08/600834808.db2.gz HUHYEYJYVCNHIM-OUAUKWLOSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)[O-] ZINC000261531760 600834951 /nfs/dbraw/zinc/83/49/51/600834951.db2.gz HUHYEYJYVCNHIM-GMTAPVOTSA-N 0 1 211.305 2.114 20 0 BEADMN C[C@H]1CC[N@@H+](CC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000309751818 600862020 /nfs/dbraw/zinc/86/20/20/600862020.db2.gz KRVXPBAFNKBUGT-VHSXEESVSA-N 0 1 223.272 2.137 20 0 BEADMN C[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])C1CC1 ZINC000083406053 600950435 /nfs/dbraw/zinc/95/04/35/600950435.db2.gz QHUDROXYPVMRRS-SNVBAGLBSA-N 0 1 219.284 2.297 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000310331810 601011912 /nfs/dbraw/zinc/01/19/12/601011912.db2.gz LUZFVOHWGRZDGP-LLVKDONJSA-N 0 1 243.347 2.131 20 0 BEADMN CCC(CC)[N@H+](C/C=C(/C)C(=O)[O-])CCOC ZINC000088630579 601162722 /nfs/dbraw/zinc/16/27/22/601162722.db2.gz VVVYKVVEBGGMLF-XFFZJAGNSA-N 0 1 243.347 2.154 20 0 BEADMN O=C([O-])CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000238163838 601157759 /nfs/dbraw/zinc/15/77/59/601157759.db2.gz WFUZUADIKAOCAR-UHFFFAOYSA-N 0 1 243.372 2.213 20 0 BEADMN C/C(=C\C[N@H+]1CCS[C@@H](C(C)C)C1)C(=O)[O-] ZINC000707300753 601178488 /nfs/dbraw/zinc/17/84/88/601178488.db2.gz BSMOMZODLUNODM-LLMHMKPQSA-N 0 1 243.372 2.091 20 0 BEADMN C/C(=C/C[N@H+]1CCC2(CCCC2)C1)C(=O)[O-] ZINC000380868924 601177223 /nfs/dbraw/zinc/17/72/23/601177223.db2.gz HIQAIFSYWKNDIJ-WCIBSUBMSA-N 0 1 223.316 2.283 20 0 BEADMN C/C(=C/C[N@@H+]1CC[C@H](CC(C)C)C1)C(=O)[O-] ZINC000307825881 601179778 /nfs/dbraw/zinc/17/97/78/601179778.db2.gz WCEMYUNFGZGEJF-CSXHZRMWSA-N 0 1 225.332 2.385 20 0 BEADMN C[C@H]1C[N@@H+](CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000237622282 601220945 /nfs/dbraw/zinc/22/09/45/601220945.db2.gz SGECEKVIDGYQDK-GWCFXTLKSA-N 0 1 219.284 2.154 20 0 BEADMN C[C@H]1C[N@@H+](Cc2ccoc2C(=O)[O-])C[C@H]1C ZINC000086010609 601428570 /nfs/dbraw/zinc/42/85/70/601428570.db2.gz VNKSXBXVZGMPRU-DTORHVGOSA-N 0 1 223.272 2.066 20 0 BEADMN C[C@H](C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000227817333 601504461 /nfs/dbraw/zinc/50/44/61/601504461.db2.gz YIYYVXYMMOAFGU-YRGRVCCFSA-N 0 1 247.338 2.443 20 0 BEADMN CCCCCC[N@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000082557697 601530536 /nfs/dbraw/zinc/53/05/36/601530536.db2.gz HVCOLOLJUWEWKA-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN C[C@H]([NH2+]CC(=O)[O-])c1nc2ccccc2s1 ZINC000034959466 601598193 /nfs/dbraw/zinc/59/81/93/601598193.db2.gz DEWBKHASBNMORK-ZETCQYMHSA-N 0 1 236.296 2.032 20 0 BEADMN CC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000739453331 601923935 /nfs/dbraw/zinc/92/39/35/601923935.db2.gz FTHBEPVENVZDAO-WDEREUQCSA-N 0 1 226.320 2.003 20 0 BEADMN CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000739364812 601925750 /nfs/dbraw/zinc/92/57/50/601925750.db2.gz NQNADGPEQHEMPG-RYUDHWBXSA-N 0 1 240.347 2.393 20 0 BEADMN Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000740168589 601953870 /nfs/dbraw/zinc/95/38/70/601953870.db2.gz CRQXOGIHAFJQSB-ZDUSSCGKSA-N 0 1 248.326 2.085 20 0 BEADMN C[N@@H+](C/C(Cl)=C/Cl)C(C)(C)C(=O)[O-] ZINC000086000717 602041462 /nfs/dbraw/zinc/04/14/62/602041462.db2.gz HTBSBUDOTASNEH-XQRVVYSFSA-N 0 1 226.103 2.100 20 0 BEADMN C[C@@]1(C(=O)[O-])CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000086000753 602050646 /nfs/dbraw/zinc/05/06/46/602050646.db2.gz ZMUFSBJVUVOUFM-WQAKUFEDSA-N 0 1 238.114 2.102 20 0 BEADMN O=C([O-])c1sccc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000706961668 602207012 /nfs/dbraw/zinc/20/70/12/602207012.db2.gz FREXWUNKBBVPQA-WCBMZHEXSA-N 0 1 237.324 2.431 20 0 BEADMN CC(C)CC[C@H]1CCCC[N@H+]1CC(=O)[O-] ZINC000236625674 602232636 /nfs/dbraw/zinc/23/26/36/602232636.db2.gz NTSKJPYOZKBAHH-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739328416 602254380 /nfs/dbraw/zinc/25/43/80/602254380.db2.gz DHOISZXLZWRWNP-UHFFFAOYSA-N 0 1 240.347 2.393 20 0 BEADMN C[N@@H+](CC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000739660421 602256679 /nfs/dbraw/zinc/25/66/79/602256679.db2.gz UOIAOWKLPTVELM-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN CCC[N@@H+](CC1CCN(C(=O)[O-])CC1)C1CC1 ZINC000739358439 602380916 /nfs/dbraw/zinc/38/09/16/602380916.db2.gz MQWGUJLUTRFKDW-UHFFFAOYSA-N 0 1 240.347 2.251 20 0 BEADMN CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000739262794 602438984 /nfs/dbraw/zinc/43/89/84/602438984.db2.gz FOHGSYBZRRDVTB-CHWSQXEVSA-N 0 1 248.326 2.480 20 0 BEADMN C[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739110898 602449925 /nfs/dbraw/zinc/44/99/25/602449925.db2.gz PDLWWBKUOXMQLD-NWDGAFQWSA-N 0 1 240.347 2.108 20 0 BEADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736785583 602450814 /nfs/dbraw/zinc/45/08/14/602450814.db2.gz SNCCIOOQPOIUMT-RYUDHWBXSA-N 0 1 240.347 2.251 20 0 BEADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000739665086 602541858 /nfs/dbraw/zinc/54/18/58/602541858.db2.gz KEXZXSUIKQTYHR-CYBMUJFWSA-N 0 1 248.326 2.118 20 0 BEADMN CCC[N@@H+](CC=C(C)C)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359183 602545852 /nfs/dbraw/zinc/54/58/52/602545852.db2.gz SZGPDKWFVFFRGO-LBPRGKRZSA-N 0 1 240.347 2.417 20 0 BEADMN CCC[N@@H+](C/C=C/Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358941 602578772 /nfs/dbraw/zinc/57/87/72/602578772.db2.gz SKCCSDIGFHSOEM-GFAPAMAISA-N 0 1 246.738 2.203 20 0 BEADMN C[NH+](C)[C@H](CNC(=O)[O-])c1ccccc1Cl ZINC000739606652 602663998 /nfs/dbraw/zinc/66/39/98/602663998.db2.gz FQSDONULKBHQQF-SNVBAGLBSA-N 0 1 242.706 2.210 20 0 BEADMN CCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739359515 602703858 /nfs/dbraw/zinc/70/38/58/602703858.db2.gz XVPLSCVYKQQTHP-NSHDSACASA-N 0 1 228.336 2.108 20 0 BEADMN CC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739236417 602705443 /nfs/dbraw/zinc/70/54/43/602705443.db2.gz LOKWEVQFPNITGC-QWRGUYRKSA-N 0 1 228.336 2.107 20 0 BEADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739187796 602799970 /nfs/dbraw/zinc/79/99/70/602799970.db2.gz IMZOZUVCJMZVAR-DGCLKSJQSA-N 0 1 248.326 2.165 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](CC2CCN(C(=O)[O-])CC2)C1 ZINC000739081122 602800883 /nfs/dbraw/zinc/80/08/83/602800883.db2.gz PXRUKJHYLPAFCT-GHMZBOCLSA-N 0 1 240.347 2.107 20 0 BEADMN C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCCN(C(=O)[O-])C2)C1 ZINC000739084036 602800935 /nfs/dbraw/zinc/80/09/35/602800935.db2.gz YCVJMBLSSQWIHQ-UTUOFQBUSA-N 0 1 240.347 2.107 20 0 BEADMN CC(C)=CC[N@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738759719 602833774 /nfs/dbraw/zinc/83/37/74/602833774.db2.gz KYNCQANRLCXAOF-PHIMTYICSA-N 0 1 226.320 2.025 20 0 BEADMN Cc1ccc([C@@H]2CCC[N@H+]2CCNC(=O)[O-])cc1 ZINC000740119908 603082139 /nfs/dbraw/zinc/08/21/39/603082139.db2.gz XOVVJXNJGWEXTH-ZDUSSCGKSA-N 0 1 248.326 2.400 20 0 BEADMN CCC(C)(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739218707 603135623 /nfs/dbraw/zinc/13/56/23/603135623.db2.gz LPYSTIYODXIWBX-LLVKDONJSA-N 0 1 242.363 2.497 20 0 BEADMN C[C@H]([N@@H+](C)C[C@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000738944093 603323993 /nfs/dbraw/zinc/32/39/93/603323993.db2.gz ISGBVVNJRWFVGK-WDEREUQCSA-N 0 1 242.363 2.353 20 0 BEADMN CC(C)C[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)C(C)C ZINC000738820711 603324515 /nfs/dbraw/zinc/32/45/15/603324515.db2.gz LRENYNXXOYKXED-GFCCVEGCSA-N 0 1 242.363 2.353 20 0 BEADMN CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739298746 603324829 /nfs/dbraw/zinc/32/48/29/603324829.db2.gz FLYCLVFRYNTZOP-QWRGUYRKSA-N 0 1 228.336 2.107 20 0 BEADMN O=C([O-])NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000740641726 603335097 /nfs/dbraw/zinc/33/50/97/603335097.db2.gz HEULSPQRZYFDDJ-GFCCVEGCSA-N 0 1 240.347 2.156 20 0 BEADMN CC[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)[C@@H](C)C(C)C ZINC000739414761 603346231 /nfs/dbraw/zinc/34/62/31/603346231.db2.gz OSTXYPYIXUYGEI-RYUDHWBXSA-N 0 1 242.363 2.353 20 0 BEADMN CC[N@@H+](C[C@@H]1CCN(C(=O)[O-])C1)[C@H](C)C(C)C ZINC000739414758 603346281 /nfs/dbraw/zinc/34/62/81/603346281.db2.gz OSTXYPYIXUYGEI-NEPJUHHUSA-N 0 1 242.363 2.353 20 0 BEADMN C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000739184180 603411575 /nfs/dbraw/zinc/41/15/75/603411575.db2.gz VLRFCNCDUAXWLP-QWRGUYRKSA-N 0 1 242.363 2.401 20 0 BEADMN CCC[N@@H+](C)CC[C@H](NC(=O)[O-])C(C)C ZINC000826892595 603826597 /nfs/dbraw/zinc/82/65/97/603826597.db2.gz IVKFYSROZPTGCF-JTQLQIEISA-N 0 1 216.325 2.011 20 0 BEADMN CC1(C)CC[N@@H+](C[C@@H]2CCCN(C(=O)[O-])C2)C1 ZINC000825718447 604087233 /nfs/dbraw/zinc/08/72/33/604087233.db2.gz FAMURSYRJKBING-NSHDSACASA-N 0 1 240.347 2.108 20 0 BEADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)o1 ZINC000086789741 604542576 /nfs/dbraw/zinc/54/25/76/604542576.db2.gz IHXDVMSVEGKIBF-JFGNBEQYSA-N 0 1 249.310 2.310 20 0 BEADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000226444796 604542660 /nfs/dbraw/zinc/54/26/60/604542660.db2.gz IHXDVMSVEGKIBF-FOGDFJRCSA-N 0 1 249.310 2.310 20 0 BEADMN CCc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)o1 ZINC000083405482 604557161 /nfs/dbraw/zinc/55/71/61/604557161.db2.gz ZGGDUNYDXRQEKR-UHFFFAOYSA-N 0 1 225.288 2.137 20 0 BEADMN CCC(CC)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000083415588 604582496 /nfs/dbraw/zinc/58/24/96/604582496.db2.gz ACYPCFCIMIKNCW-SECBINFHSA-N 0 1 201.310 2.075 20 0 BEADMN CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])o1 ZINC000086729506 604651276 /nfs/dbraw/zinc/65/12/76/604651276.db2.gz LQHYLYXOSJYCLN-GFCCVEGCSA-N 0 1 237.299 2.281 20 0 BEADMN CCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])o1 ZINC000086729506 604651278 /nfs/dbraw/zinc/65/12/78/604651278.db2.gz LQHYLYXOSJYCLN-GFCCVEGCSA-N 0 1 237.299 2.281 20 0 BEADMN CC(C)CC[C@@H]1CCC[N@H+]1CCC(=O)[O-] ZINC000236611995 604674409 /nfs/dbraw/zinc/67/44/09/604674409.db2.gz QFNIDAXXVVOVJI-NSHDSACASA-N 0 1 213.321 2.362 20 0 BEADMN CCCC[C@H](C(=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000689988023 604676745 /nfs/dbraw/zinc/67/67/45/604676745.db2.gz JGRDMSPUACZMFO-LLVKDONJSA-N 0 1 245.363 2.377 20 0 BEADMN C/C(=C/C[N@H+](C)[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000383675182 604718589 /nfs/dbraw/zinc/71/85/89/604718589.db2.gz XFLBXOAOEKXMSF-YAEJEKNGSA-N 0 1 234.299 2.105 20 0 BEADMN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1cccnc1 ZINC000037966629 604985520 /nfs/dbraw/zinc/98/55/20/604985520.db2.gz ITXIAFTVBUCGHL-LLVKDONJSA-N 0 1 248.307 2.059 20 0 BEADMN CC(C)(C)C[C@H]([NH2+]Cc1cscn1)C(=O)[O-] ZINC000833423842 605152189 /nfs/dbraw/zinc/15/21/89/605152189.db2.gz KPVPLZRBZOGVGN-VIFPVBQESA-N 0 1 242.344 2.122 20 0 BEADMN C/C(=C\C[N@H+]1CC[C@@H](C(C)(C)C)C1)C(=O)[O-] ZINC000166397404 605427273 /nfs/dbraw/zinc/42/72/73/605427273.db2.gz YLAUICQLSVFFMU-IGLBNKAOSA-N 0 1 225.332 2.385 20 0 BEADMN CCC[C@H](C)[N@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825234392 608532271 /nfs/dbraw/zinc/53/22/71/608532271.db2.gz ZNZJOEKRNRAFBJ-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825234392 608532273 /nfs/dbraw/zinc/53/22/73/608532273.db2.gz ZNZJOEKRNRAFBJ-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN CCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825234392 608532267 /nfs/dbraw/zinc/53/22/67/608532267.db2.gz ZNZJOEKRNRAFBJ-VIFPVBQESA-N 0 1 249.318 2.080 20 0 BEADMN Cn1c(Cl)cnc1CNCCC(C)(C)F ZINC000698320193 987371474 /nfs/dbraw/zinc/37/14/74/987371474.db2.gz UGCIEAVGVVVHOM-UHFFFAOYSA-N 0 1 233.718 2.301 20 0 BEADMN Cc1[nH+]c(N2CCCC[C@@H]2C)ccc1C(=O)[O-] ZINC000124128212 634397067 /nfs/dbraw/zinc/39/70/67/634397067.db2.gz UHNKMCJCMCHGEC-VIFPVBQESA-N 0 1 234.299 2.467 20 0 BEADMN Cc1[nH+]c(NCCC(F)(F)F)ccc1C(=O)[O-] ZINC000124267831 634406702 /nfs/dbraw/zinc/40/67/02/634406702.db2.gz HBUCXWMSQLLIMG-UHFFFAOYSA-N 0 1 248.204 2.453 20 0 BEADMN Cc1[nH+]c(N2C[C@H](C)[C@H](C)C2)ccc1C(=O)[O-] ZINC000124316790 634410601 /nfs/dbraw/zinc/41/06/01/634410601.db2.gz ODRNGFFIISGRSV-DTORHVGOSA-N 0 1 234.299 2.180 20 0 BEADMN Cc1ccoc1CN[C@H]1CCCc2n[nH]cc21 ZINC000335400415 634461917 /nfs/dbraw/zinc/46/19/17/634461917.db2.gz AWKGVKQQVWLXSE-NSHDSACASA-N 0 1 231.299 2.478 20 0 BEADMN CCCSC[C@H](C)NCc1nnc(C)s1 ZINC000893478310 634524262 /nfs/dbraw/zinc/52/42/62/634524262.db2.gz NTWZFENCZBWCDB-QMMMGPOBSA-N 0 1 245.417 2.468 20 0 BEADMN CCOC(CN[C@@H](C)c1ccccn1)OCC ZINC000093446867 634539093 /nfs/dbraw/zinc/53/90/93/634539093.db2.gz MOEJIYRTDQDKSZ-NSHDSACASA-N 0 1 238.331 2.131 20 0 BEADMN CC1(C)CCC[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC000909398716 634613387 /nfs/dbraw/zinc/61/33/87/634613387.db2.gz MYQLFWOUWSMMOX-LLVKDONJSA-N 0 1 249.358 2.285 20 0 BEADMN CCC1(C(=O)N2C[C@H](C)N[C@@H](C)C2)CCCC1 ZINC000094905905 635396022 /nfs/dbraw/zinc/39/60/22/635396022.db2.gz WPTZYDUMGKINAD-RYUDHWBXSA-N 0 1 238.375 2.166 20 0 BEADMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccoc2)C1 ZINC000232785572 635515992 /nfs/dbraw/zinc/51/59/92/635515992.db2.gz GAJDBQKUJWSJRL-CYBMUJFWSA-N 0 1 237.299 2.212 20 0 BEADMN C[C@H]1CC[C@H](N[C@@H]2CNOC2)c2ccccc21 ZINC000925865323 635564325 /nfs/dbraw/zinc/56/43/25/635564325.db2.gz NZCIQFYMUROHJB-WDMOLILDSA-N 0 1 232.327 2.118 20 0 BEADMN C[C@@H](N[C@H]1CNOC1)c1cccc(C2CC2)c1 ZINC000925865638 635565506 /nfs/dbraw/zinc/56/55/06/635565506.db2.gz HLABHSUBHTURRF-YGRLFVJLSA-N 0 1 232.327 2.118 20 0 BEADMN CC[C@@H](C[C@](C)(O)CC)NCc1cocn1 ZINC000925869390 635578930 /nfs/dbraw/zinc/57/89/30/635578930.db2.gz KSDXRUQZLNTGAH-CMPLNLGQSA-N 0 1 226.320 2.094 20 0 BEADMN CCOC1CC(N(C)C/C=C/Cl)C1 ZINC000308436322 631331591 /nfs/dbraw/zinc/33/15/91/631331591.db2.gz WQPRWQBVCNCNHO-SNAWJCMRSA-N 0 1 203.713 2.238 20 0 BEADMN Cc1nn(C)cc1[C@@H](C)NC/C=C\Cl ZINC000308652439 631349634 /nfs/dbraw/zinc/34/96/34/631349634.db2.gz LOBNDDIIQZKOSK-PULIVWKDSA-N 0 1 213.712 2.132 20 0 BEADMN C[C@@H](N[C@@H](C)CCC1CC1)c1cc(CO)on1 ZINC000926196558 631396586 /nfs/dbraw/zinc/39/65/86/631396586.db2.gz PCHPIUYJEYHROG-VHSXEESVSA-N 0 1 238.331 2.396 20 0 BEADMN C[C@@H](CCC1CC1)N[C@@H](C)c1cc(CO)on1 ZINC000926196457 631396704 /nfs/dbraw/zinc/39/67/04/631396704.db2.gz PCHPIUYJEYHROG-UWVGGRQHSA-N 0 1 238.331 2.396 20 0 BEADMN C[C@H](CCC1CC1)N[C@@H](C)c1cc(CO)on1 ZINC000926196559 631397276 /nfs/dbraw/zinc/39/72/76/631397276.db2.gz PCHPIUYJEYHROG-ZJUUUORDSA-N 0 1 238.331 2.396 20 0 BEADMN C[C@@H](C1CCCC1)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000083403786 631425125 /nfs/dbraw/zinc/42/51/25/631425125.db2.gz IRLNKZUXTSEVPF-GXSJLCMTSA-N 0 1 211.305 2.114 20 0 BEADMN Cc1cccc(C)c1CN(C)CC[S@](C)=O ZINC000933764862 631506592 /nfs/dbraw/zinc/50/65/92/631506592.db2.gz VBJJRBVHHTVNFA-INIZCTEOSA-N 0 1 239.384 2.114 20 0 BEADMN CCc1ccccc1-n1cc(CNC(C)C)nn1 ZINC000090299309 631526298 /nfs/dbraw/zinc/52/62/98/631526298.db2.gz GCDXQOHGNXHEOV-UHFFFAOYSA-N 0 1 244.342 2.328 20 0 BEADMN C[C@@H](c1cccc(Cl)c1)N1CC[C@@H]1CO ZINC000934027127 631606887 /nfs/dbraw/zinc/60/68/87/631606887.db2.gz PIXJOMNTUBVLCW-JOYOIKCWSA-N 0 1 225.719 2.468 20 0 BEADMN OC[C@@H]1CCN1C/C=C\c1ccc(Cl)cc1 ZINC000934015306 631607789 /nfs/dbraw/zinc/60/77/89/631607789.db2.gz WGCRFASAAPSDJK-FYDYADQUSA-N 0 1 237.730 2.420 20 0 BEADMN CC=C(C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000176285323 631656304 /nfs/dbraw/zinc/65/63/04/631656304.db2.gz QHZSQXHFTISFFI-YCRREMRBSA-N 0 1 229.283 2.145 20 0 BEADMN CCC1(c2nc([C@H](N)C(C)C)no2)CC1 ZINC000308815055 631665164 /nfs/dbraw/zinc/66/51/64/631665164.db2.gz OZQXNLDKSTWHBC-MRVPVSSYSA-N 0 1 209.293 2.167 20 0 BEADMN CS[C@H](C)c1nc([C@H](N)C(C)C)no1 ZINC000308826418 631674079 /nfs/dbraw/zinc/67/40/79/631674079.db2.gz DTUXGAQWDPARHJ-RNFRBKRXSA-N 0 1 215.322 2.149 20 0 BEADMN CCc1onc(C)c1CN(C)[C@@H]1CC[C@@H]1OC ZINC000934105929 631675222 /nfs/dbraw/zinc/67/52/22/631675222.db2.gz QQVRWVXPSUDWMK-YPMHNXCESA-N 0 1 238.331 2.155 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C)cc(C)n1 ZINC000934112320 631687774 /nfs/dbraw/zinc/68/77/74/631687774.db2.gz YCHICPILTXBUHK-UONOGXRCSA-N 0 1 234.343 2.308 20 0 BEADMN Cc1nnc([C@H](C)N[C@H](C)Cc2cccnc2)o1 ZINC000934232488 631739259 /nfs/dbraw/zinc/73/92/59/631739259.db2.gz ADCXEPIFVAKTIQ-ZJUUUORDSA-N 0 1 246.314 2.055 20 0 BEADMN CCOc1ccccc1-c1cc(CN)on1 ZINC000039100452 631739645 /nfs/dbraw/zinc/73/96/45/631739645.db2.gz UTNADEYAMOYOAS-UHFFFAOYSA-N 0 1 218.256 2.199 20 0 BEADMN FC(F)C1(N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926364049 631750141 /nfs/dbraw/zinc/75/01/41/631750141.db2.gz CDVIZSXLSVWBGM-MNOVXSKESA-N 0 1 244.329 2.391 20 0 BEADMN C[C@@H]1CSCCCN1Cc1ccno1 ZINC000934303963 631773813 /nfs/dbraw/zinc/77/38/13/631773813.db2.gz ZIPZKYCKKWFVFO-SECBINFHSA-N 0 1 212.318 2.002 20 0 BEADMN CC[C@H](CC(F)F)CN1CC[C@H](O)[C@H](F)C1 ZINC000934567655 631933302 /nfs/dbraw/zinc/93/33/02/631933302.db2.gz RASDSNTYFZLCRL-BBBLOLIVSA-N 0 1 239.281 2.073 20 0 BEADMN CCCCCCN(CC)CC(=O)OC ZINC000050066175 631938809 /nfs/dbraw/zinc/93/88/09/631938809.db2.gz LIZMXMXMWSDGJD-UHFFFAOYSA-N 0 1 201.310 2.062 20 0 BEADMN C[C@@H](O)c1ncc(CNC2CC(F)(F)C2)s1 ZINC000309361315 632023827 /nfs/dbraw/zinc/02/38/27/632023827.db2.gz AMAVKSHJDJQTBD-ZCFIWIBFSA-N 0 1 248.298 2.084 20 0 BEADMN CO[C@@H](C)[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000926453900 632073761 /nfs/dbraw/zinc/07/37/61/632073761.db2.gz VVWTVAVBVIYIRZ-WCABBAIRSA-N 0 1 238.331 2.373 20 0 BEADMN CC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC=CC1 ZINC000934898079 632131767 /nfs/dbraw/zinc/13/17/67/632131767.db2.gz TYHIBGIOSUAKKB-LLVKDONJSA-N 0 1 245.326 2.260 20 0 BEADMN C[C@@H]1CCN(CN2CCSC2=O)C[C@@H]1C ZINC000159952479 635755646 /nfs/dbraw/zinc/75/56/46/635755646.db2.gz FEEUBXKIUJVIBH-ZJUUUORDSA-N 0 1 228.361 2.091 20 0 BEADMN Cn1cnc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000309518559 632435467 /nfs/dbraw/zinc/43/54/67/632435467.db2.gz ATOGECBLCUJQHE-SECBINFHSA-N 0 1 229.274 2.088 20 0 BEADMN C[C@@H](CNC(=O)[C@H](N)c1ccccc1)C(C)(C)C ZINC000162002429 632484695 /nfs/dbraw/zinc/48/46/95/632484695.db2.gz NVDJLHPGRDHMHL-WCQYABFASA-N 0 1 248.370 2.485 20 0 BEADMN C[C@H]1CN(C(=O)CCC2(C)CC2)[C@@H](C)CN1C ZINC000935190576 632492467 /nfs/dbraw/zinc/49/24/67/632492467.db2.gz RCZRPZCFHNMPSD-RYUDHWBXSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@@H]1CN(C(=O)CCC2(C)CC2)[C@H](C)CN1C ZINC000935190577 632493711 /nfs/dbraw/zinc/49/37/11/632493711.db2.gz RCZRPZCFHNMPSD-VXGBXAGGSA-N 0 1 238.375 2.118 20 0 BEADMN C[C@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ncco1 ZINC000926584333 632592242 /nfs/dbraw/zinc/59/22/42/632592242.db2.gz LFMOFRJEEDEFAY-LMLFDSFASA-N 0 1 224.304 2.139 20 0 BEADMN CCSCCCNCc1nnc(CC)s1 ZINC000309060094 632630283 /nfs/dbraw/zinc/63/02/83/632630283.db2.gz WBDXZRRDUHXTBD-UHFFFAOYSA-N 0 1 245.417 2.333 20 0 BEADMN c1cc(CN[C@H]2CCCc3n[nH]cc32)co1 ZINC000309687574 632651698 /nfs/dbraw/zinc/65/16/98/632651698.db2.gz OPQKGCNOEQNFSU-NSHDSACASA-N 0 1 217.272 2.170 20 0 BEADMN C[C@H](NCc1ccc(F)nc1)c1ccc[nH]1 ZINC000309749787 632666468 /nfs/dbraw/zinc/66/64/68/632666468.db2.gz GKTSYCVLTSHEAK-VIFPVBQESA-N 0 1 219.263 2.400 20 0 BEADMN Cc1cncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000235325548 632668036 /nfs/dbraw/zinc/66/80/36/632668036.db2.gz KUPVEKOOXBYWAH-DGCLKSJQSA-N 0 1 248.326 2.075 20 0 BEADMN Cc1nonc1CNCCCCC(C)C ZINC000147463071 632682908 /nfs/dbraw/zinc/68/29/08/632682908.db2.gz LNTQQJIAWHKNGZ-UHFFFAOYSA-N 0 1 211.309 2.294 20 0 BEADMN CC(C)n1cc([C@@H](C)N[C@@H]2CC23CC3)nn1 ZINC000926614153 632684326 /nfs/dbraw/zinc/68/43/26/632684326.db2.gz HRZYQONSWTYXIZ-MWLCHTKSSA-N 0 1 220.320 2.062 20 0 BEADMN CCCCOC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000177065898 632715036 /nfs/dbraw/zinc/71/50/36/632715036.db2.gz YEHULXGDEHCKKX-QWRGUYRKSA-N 0 1 213.321 2.060 20 0 BEADMN Nc1cc(CN2CC[C@H](C(F)(F)F)C2)ccn1 ZINC000310298874 632716957 /nfs/dbraw/zinc/71/69/57/632716957.db2.gz NGLZSIYHJPMLSW-VIFPVBQESA-N 0 1 245.248 2.048 20 0 BEADMN CCN(CC)C(=O)CNCc1ccsc1C ZINC000309188082 632720904 /nfs/dbraw/zinc/72/09/04/632720904.db2.gz BSTSQNJQCUEOAS-UHFFFAOYSA-N 0 1 240.372 2.015 20 0 BEADMN CCn1cc(CN[C@@H](C)c2cccnc2)c(C)n1 ZINC000892481290 632768237 /nfs/dbraw/zinc/76/82/37/632768237.db2.gz JSXCRCZXDKYBGO-NSHDSACASA-N 0 1 244.342 2.457 20 0 BEADMN Cc1ccccc1OCCSc1cn[nH]n1 ZINC000177371160 632813887 /nfs/dbraw/zinc/81/38/87/632813887.db2.gz NBRINRNTQWYQMA-UHFFFAOYSA-N 0 1 235.312 2.284 20 0 BEADMN Cc1noc(C)c1[C@H](C)C(=O)NOCC(C)C ZINC000153645711 632823035 /nfs/dbraw/zinc/82/30/35/632823035.db2.gz ULXDFJXGGIMOQI-QMMMGPOBSA-N 0 1 240.303 2.099 20 0 BEADMN COc1ccnc([C@H](C)N[C@H]2C=CCC2)c1 ZINC000926692002 632827497 /nfs/dbraw/zinc/82/74/97/632827497.db2.gz UWCSAWCJARNARK-QWRGUYRKSA-N 0 1 218.300 2.459 20 0 BEADMN COc1cc([C@@H](C)NCCc2ccco2)on1 ZINC000924555957 632831804 /nfs/dbraw/zinc/83/18/04/632831804.db2.gz PRSXVABVHXNSCH-SECBINFHSA-N 0 1 236.271 2.170 20 0 BEADMN COc1cc([C@H](C)NC[C@@]2(C)CC2(F)F)on1 ZINC000926706125 632846231 /nfs/dbraw/zinc/84/62/31/632846231.db2.gz RXFLNWOZFOFTOB-OIBJUYFYSA-N 0 1 246.257 2.379 20 0 BEADMN CCCC[C@@H](C(=O)Nc1c[nH]nn1)C(C)C ZINC000935595505 632847210 /nfs/dbraw/zinc/84/72/10/632847210.db2.gz IVSMUHMVELRXGU-SECBINFHSA-N 0 1 224.308 2.206 20 0 BEADMN C[C@H](CCc1ccco1)N[C@@H](C)c1cnn(C)n1 ZINC000924563751 632876679 /nfs/dbraw/zinc/87/66/79/632876679.db2.gz NUPWKHQDBXTOEP-MNOVXSKESA-N 0 1 248.330 2.080 20 0 BEADMN Cc1ccoc1C[NH2+]Cc1cc(C(=O)[O-])c(C)o1 ZINC000310757222 632940721 /nfs/dbraw/zinc/94/07/21/632940721.db2.gz LQHNRNFNZZUPPW-UHFFFAOYSA-N 0 1 249.266 2.477 20 0 BEADMN CN(C)C1(C(=O)Nc2ccccc2)CCC1 ZINC000158546092 632940917 /nfs/dbraw/zinc/94/09/17/632940917.db2.gz MQZHFZMKTVDIPR-UHFFFAOYSA-N 0 1 218.300 2.109 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cc(F)cc(F)c1O ZINC000935736740 632969394 /nfs/dbraw/zinc/96/93/94/632969394.db2.gz HBVVFPJVKMHWFJ-BQBZGAKWSA-N 0 1 241.237 2.293 20 0 BEADMN C[C@H]1CSC[C@H]1NCc1coc(C2CC2)n1 ZINC000309424648 633054571 /nfs/dbraw/zinc/05/45/71/633054571.db2.gz KFLQHSJFMXHTDC-GZMMTYOYSA-N 0 1 238.356 2.393 20 0 BEADMN C[C@H](N[C@@H]1CC(C)(C)CC[C@H]1O)c1ncco1 ZINC000926785043 633063922 /nfs/dbraw/zinc/06/39/22/633063922.db2.gz JCYLFXFGROOGSJ-HBNTYKKESA-N 0 1 238.331 2.265 20 0 BEADMN CC/C=C(\C)c1nc(C2(N)CCC2)no1 ZINC000309466056 633107629 /nfs/dbraw/zinc/10/76/29/633107629.db2.gz PXKVVBLZBRAKEB-VMPITWQZSA-N 0 1 207.277 2.221 20 0 BEADMN CCc1cc(CN[C@@H](C)c2cncs2)[nH]n1 ZINC000309467863 633109752 /nfs/dbraw/zinc/10/97/52/633109752.db2.gz PYHMYIIGNAQTPW-QMMMGPOBSA-N 0 1 236.344 2.279 20 0 BEADMN CC(C)CCCn1cc(CNC(C)C)nn1 ZINC000166306836 633109942 /nfs/dbraw/zinc/10/99/42/633109942.db2.gz DHLXNMZHCTTWCY-UHFFFAOYSA-N 0 1 224.352 2.212 20 0 BEADMN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccoc1 ZINC000167838370 633134872 /nfs/dbraw/zinc/13/48/72/633134872.db2.gz TWEKGPUVEMIYJX-MGPLVRAMSA-N 0 1 243.372 2.477 20 0 BEADMN CS[C@@H](C)Cc1nc([C@H](N)C(C)C)no1 ZINC000309476207 633141247 /nfs/dbraw/zinc/14/12/47/633141247.db2.gz RYIPRBKJEPVTPY-IONNQARKSA-N 0 1 229.349 2.019 20 0 BEADMN Cc1nc(C)c(CNC[C@H](O)c2ccccc2)o1 ZINC000311799223 633163754 /nfs/dbraw/zinc/16/37/54/633163754.db2.gz SZDGIHHCNHEGOG-ZDUSSCGKSA-N 0 1 246.310 2.115 20 0 BEADMN C[C@@H](N[C@H]1CCCc2[nH]ncc21)C(F)(F)F ZINC000309552112 633197459 /nfs/dbraw/zinc/19/74/59/633197459.db2.gz IORUWMDMMXORGC-SVRRBLITSA-N 0 1 233.237 2.328 20 0 BEADMN C[C@H](NC(=O)Cc1cnc[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000909412331 635956140 /nfs/dbraw/zinc/95/61/40/635956140.db2.gz AZNGDBSQLCJHJI-SDDRHHMPSA-N 0 1 249.358 2.283 20 0 BEADMN CO[C@@H](CNCc1ccccc1)C(F)(F)F ZINC000306214705 635959514 /nfs/dbraw/zinc/95/95/14/635959514.db2.gz NRVXYCJHBGNVLR-JTQLQIEISA-N 0 1 233.233 2.354 20 0 BEADMN FC(F)(F)C1CN(CCC[C@H]2CCO2)C1 ZINC000894891336 635999773 /nfs/dbraw/zinc/99/97/73/635999773.db2.gz YUMMQGKNCZVTKX-VIFPVBQESA-N 0 1 223.238 2.050 20 0 BEADMN CSCC[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000925094639 636001252 /nfs/dbraw/zinc/00/12/52/636001252.db2.gz GGQSPKHBEISQQN-AEJSXWLSSA-N 0 1 240.376 2.015 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)NC[C@H]1CCN1C ZINC000928553106 636088186 /nfs/dbraw/zinc/08/81/86/636088186.db2.gz DSVFSMMOXYHMRJ-CHWSQXEVSA-N 0 1 240.391 2.269 20 0 BEADMN CC(C)c1ccccc1C(=O)NC[C@H]1CCN1C ZINC000928553179 636089184 /nfs/dbraw/zinc/08/91/84/636089184.db2.gz YIPXLACBQLUIIE-GFCCVEGCSA-N 0 1 246.354 2.244 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC000928558231 636100415 /nfs/dbraw/zinc/10/04/15/636100415.db2.gz AEUJPFURLGIQBI-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@H](CC(=O)NC[C@H]1CCN1C)CC(C)(C)C ZINC000928561986 636108212 /nfs/dbraw/zinc/10/82/12/636108212.db2.gz BSPOHDFLFAHXDU-VXGBXAGGSA-N 0 1 240.391 2.269 20 0 BEADMN CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@H]1CCN1C ZINC000928571375 636118283 /nfs/dbraw/zinc/11/82/83/636118283.db2.gz MVHGIUAJPHZYDV-YRGRVCCFSA-N 0 1 238.375 2.023 20 0 BEADMN COCC1(C2CC2)CN(Cc2cc(C)co2)C1 ZINC000895439854 636143167 /nfs/dbraw/zinc/14/31/67/636143167.db2.gz IUWWHTOWPWJEAK-UHFFFAOYSA-N 0 1 235.327 2.446 20 0 BEADMN C[C@@H]1COC[C@@H]1NCc1nsc2ccccc12 ZINC000926863425 633729845 /nfs/dbraw/zinc/72/98/45/633729845.db2.gz DMLKHKRGFQRWSO-SKDRFNHKSA-N 0 1 248.351 2.421 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1nsc2ccccc12 ZINC000926863422 633729895 /nfs/dbraw/zinc/72/98/95/633729895.db2.gz DMLKHKRGFQRWSO-BXKDBHETSA-N 0 1 248.351 2.421 20 0 BEADMN CC1CC(CN(C)[C@H]2CC(C)(C)OC2=O)C1 ZINC000930562117 633897583 /nfs/dbraw/zinc/89/75/83/633897583.db2.gz LMLXWNMSKONGSK-ILDUYXDCSA-N 0 1 225.332 2.058 20 0 BEADMN CS[C@@H]1CCN([C@@H](C)c2snnc2C)C1 ZINC000930609867 633932620 /nfs/dbraw/zinc/93/26/20/633932620.db2.gz NFZGEGMOBGZLTP-DTWKUNHWSA-N 0 1 243.401 2.345 20 0 BEADMN CCN(C)c1noc(-c2ccc3[nH]cnc3c2)n1 ZINC000924117992 634022446 /nfs/dbraw/zinc/02/24/46/634022446.db2.gz MNOBMRKCBQCFME-UHFFFAOYSA-N 0 1 243.270 2.069 20 0 BEADMN Cc1noc2ncc(CN3CC[C@H](CF)C3)cc12 ZINC000895569752 636160050 /nfs/dbraw/zinc/16/00/50/636160050.db2.gz ZSWJAUYTJMGLQC-SNVBAGLBSA-N 0 1 249.289 2.323 20 0 BEADMN CC(C)Cn1nccc1CN1CC[C@@H](CF)C1 ZINC000895568266 636160712 /nfs/dbraw/zinc/16/07/12/636160712.db2.gz NRYKAIHEJRQZHX-LBPRGKRZSA-N 0 1 239.338 2.331 20 0 BEADMN CCc1cc(CNc2cccc(F)n2)n[nH]1 ZINC000309964586 634052925 /nfs/dbraw/zinc/05/29/25/634052925.db2.gz MVHJMSNGRKXREB-UHFFFAOYSA-N 0 1 220.251 2.118 20 0 BEADMN Cc1ncc(CN2CC[C@@H](c3nccs3)C2)o1 ZINC000895580593 636162494 /nfs/dbraw/zinc/16/24/94/636162494.db2.gz BTMYZWBBZXLYBL-SNVBAGLBSA-N 0 1 249.339 2.429 20 0 BEADMN CC(C)C1(C)CCN([C@H]2CCOC2=O)CC1 ZINC000186188836 634069460 /nfs/dbraw/zinc/06/94/60/634069460.db2.gz LCVOSSCGLNBBAE-NSHDSACASA-N 0 1 225.332 2.060 20 0 BEADMN CCSCCSCc1n[nH]c(CC)n1 ZINC000186698994 634081836 /nfs/dbraw/zinc/08/18/36/634081836.db2.gz UNVDKYBQMOJLPD-UHFFFAOYSA-N 0 1 231.390 2.353 20 0 BEADMN C[C@H](NC1(C2CCC2)CC1)c1ncccn1 ZINC000930859090 634141848 /nfs/dbraw/zinc/14/18/48/634141848.db2.gz VWPNANYHKKPIQE-JTQLQIEISA-N 0 1 217.316 2.460 20 0 BEADMN CCC[C@@H](C)[C@H](C)OC(=O)CCc1nc[nH]n1 ZINC000189298711 634178009 /nfs/dbraw/zinc/17/80/09/634178009.db2.gz ITTZRBIFJCLIBC-ZJUUUORDSA-N 0 1 239.319 2.105 20 0 BEADMN C[C@@H](NCCOC1CCC1)c1ccco1 ZINC000053589890 634258510 /nfs/dbraw/zinc/25/85/10/634258510.db2.gz NEKUHEQZJRDKOA-SNVBAGLBSA-N 0 1 209.289 2.499 20 0 BEADMN CCCCOC(=O)CN(C)[C@H](C)C1CC1 ZINC000053674337 634300187 /nfs/dbraw/zinc/30/01/87/634300187.db2.gz USUXTFPCEYFGCM-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN COC[C@H](NC[C@H]1CCC=CO1)c1ccco1 ZINC000194495676 634320543 /nfs/dbraw/zinc/32/05/43/634320543.db2.gz HGHSYFWJSULIIA-NEPJUHHUSA-N 0 1 237.299 2.249 20 0 BEADMN CC/C=C\CCN1Cc2nc(C)[nH]c(=O)c2C1 ZINC000931314444 634331349 /nfs/dbraw/zinc/33/13/49/634331349.db2.gz ANIQJFZZCYQGJD-PLNGDYQASA-N 0 1 233.315 2.163 20 0 BEADMN CC[C@@H](CSC)N[C@H](C)c1nonc1C ZINC000925696210 634353096 /nfs/dbraw/zinc/35/30/96/634353096.db2.gz YDEJABDPAWIKFL-APPZFPTMSA-N 0 1 229.349 2.170 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(C)CCC2CC2)C1 ZINC000162884138 635146406 /nfs/dbraw/zinc/14/64/06/635146406.db2.gz XMAAXBKCFXJYOS-ZDUSSCGKSA-N 0 1 238.375 2.324 20 0 BEADMN CCCCOC(=O)[C@@H](C)N(C)CC1CC1 ZINC000159387765 635253285 /nfs/dbraw/zinc/25/32/85/635253285.db2.gz WYFKRHQGXNCBAW-SNVBAGLBSA-N 0 1 213.321 2.060 20 0 BEADMN C[C@@H](C1CC1)N(C)Cc1ncc(Cl)n1C ZINC000073779650 635354161 /nfs/dbraw/zinc/35/41/61/635354161.db2.gz UTVNGEVFXNKHAK-QMMMGPOBSA-N 0 1 227.739 2.304 20 0 BEADMN CCCCOC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076015419 635381119 /nfs/dbraw/zinc/38/11/19/635381119.db2.gz WPTVLMMODWJBFK-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CCC1(C(=O)N2C[C@@H](C)N[C@H](C)C2)CCCC1 ZINC000094905904 635394402 /nfs/dbraw/zinc/39/44/02/635394402.db2.gz WPTZYDUMGKINAD-VXGBXAGGSA-N 0 1 238.375 2.166 20 0 BEADMN CCc1nc(COC(=O)C[C@@H]2CC=CCC2)n[nH]1 ZINC000924244278 635530606 /nfs/dbraw/zinc/53/06/06/635530606.db2.gz FFJGELRXPCVPDK-SNVBAGLBSA-N 0 1 249.314 2.157 20 0 BEADMN CCn1nc(C)c([C@H](C)NC2(C3CC3)CC2)n1 ZINC000925896018 635621535 /nfs/dbraw/zinc/62/15/35/635621535.db2.gz HPPGEPLCTSWKDT-VIFPVBQESA-N 0 1 234.347 2.200 20 0 BEADMN CC(C)[C@@H]1N(Cc2c[nH]cn2)CC12CCOCC2 ZINC000894998699 636013597 /nfs/dbraw/zinc/01/35/97/636013597.db2.gz NHNHRPRJXBHAQO-ZDUSSCGKSA-N 0 1 249.358 2.047 20 0 BEADMN Cc1nnc(CNCCCc2ccco2)s1 ZINC000895453912 636144629 /nfs/dbraw/zinc/14/46/29/636144629.db2.gz SPTKOFCZIMCMFK-UHFFFAOYSA-N 0 1 237.328 2.162 20 0 BEADMN Cc1ncc2n1C[C@H](c1nc(C3CC3)no1)CC2 ZINC000895986832 636186201 /nfs/dbraw/zinc/18/62/01/636186201.db2.gz UVNXNEGJWZDOBC-SNVBAGLBSA-N 0 1 244.298 2.182 20 0 BEADMN CCSCCNCc1cc(C2CC2)n(C)n1 ZINC000897231362 636277759 /nfs/dbraw/zinc/27/77/59/636277759.db2.gz DFQKBRANQKIEKD-UHFFFAOYSA-N 0 1 239.388 2.140 20 0 BEADMN CCC[C@@H](CCO)CN[C@H](C)c1ncco1 ZINC000925185236 636362288 /nfs/dbraw/zinc/36/22/88/636362288.db2.gz AJZVBSBZWNESDP-MNOVXSKESA-N 0 1 226.320 2.124 20 0 BEADMN C[C@H](N[C@@H]1CCCc2[nH]ccc21)c1cn(C)cn1 ZINC000925224074 636416077 /nfs/dbraw/zinc/41/60/77/636416077.db2.gz DJZJSHJXMKRPOF-GXFFZTMASA-N 0 1 244.342 2.476 20 0 BEADMN C(N[C@@H]1CCCC12CC2)c1noc2c1COCC2 ZINC000897366907 636495139 /nfs/dbraw/zinc/49/51/39/636495139.db2.gz RUDALXUYDZMVIV-CYBMUJFWSA-N 0 1 248.326 2.170 20 0 BEADMN Cc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000840996035 636612672 /nfs/dbraw/zinc/61/26/72/636612672.db2.gz GPSAVTNAEYYNJJ-TZMCWYRMSA-N 0 1 247.338 2.475 20 0 BEADMN O=C([O-])[C@H]1CCC[N@H+]1[C@H]1CC[C@@H]1C1CCC1 ZINC000840996251 636616572 /nfs/dbraw/zinc/61/65/72/636616572.db2.gz IOXQSEUFCSBSKF-GRYCIOLGSA-N 0 1 223.316 2.114 20 0 BEADMN Cc1occc1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000321281829 636620416 /nfs/dbraw/zinc/62/04/16/636620416.db2.gz SWEUAPAXLBWRKP-CYBMUJFWSA-N 0 1 237.299 2.275 20 0 BEADMN Cc1occc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000321338044 636636283 /nfs/dbraw/zinc/63/62/83/636636283.db2.gz BAUKNOYQRSZYEY-LLVKDONJSA-N 0 1 223.272 2.027 20 0 BEADMN Cc1occc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000321580089 636654282 /nfs/dbraw/zinc/65/42/82/636654282.db2.gz OHKJJXYZUMHLLE-XQQFMLRXSA-N 0 1 249.310 2.273 20 0 BEADMN CC[C@H](O)CCN[C@H]1CCCc2oc(C)nc21 ZINC000925282427 636712190 /nfs/dbraw/zinc/71/21/90/636712190.db2.gz OMRMFLVLRHPNNQ-QWRGUYRKSA-N 0 1 238.331 2.111 20 0 BEADMN C[C@H](NCC(C)(C)CCCO)c1ncco1 ZINC000925300381 636801566 /nfs/dbraw/zinc/80/15/66/636801566.db2.gz LNLBQBPEMWVLMA-JTQLQIEISA-N 0 1 226.320 2.124 20 0 BEADMN CCC1(NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)CC1 ZINC000897883315 636843360 /nfs/dbraw/zinc/84/33/60/636843360.db2.gz BHSBURFWNLTYEB-VIFPVBQESA-N 0 1 247.342 2.207 20 0 BEADMN CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897898729 636844646 /nfs/dbraw/zinc/84/46/46/636844646.db2.gz QVLOQZYWDFFRHA-WOPDTQHZSA-N 0 1 238.375 2.022 20 0 BEADMN Cc1noc(C2(NC[C@H]3CC=CCC3)CC2)n1 ZINC000897897963 636845209 /nfs/dbraw/zinc/84/52/09/636845209.db2.gz RSAZMNWHSADGKF-NSHDSACASA-N 0 1 233.315 2.313 20 0 BEADMN OCCC1CC(NCc2nc(Cl)cs2)C1 ZINC000898009909 636849773 /nfs/dbraw/zinc/84/97/73/636849773.db2.gz BIACYQOTSAAMJZ-UHFFFAOYSA-N 0 1 246.763 2.047 20 0 BEADMN C[C@@H]1CN(CCCc2cccnc2)[C@H](C)CO1 ZINC000929183040 636919310 /nfs/dbraw/zinc/91/93/10/636919310.db2.gz RNYOURXKSSYYOM-CHWSQXEVSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CN(CCCc2cccnc2)[C@@H](C)CO1 ZINC000929183042 636920192 /nfs/dbraw/zinc/92/01/92/636920192.db2.gz RNYOURXKSSYYOM-QWHCGFSZSA-N 0 1 234.343 2.123 20 0 BEADMN CC(C)[C@@H](C)OC(=O)[C@@H]1CCCN1C(C)C ZINC000923890930 637004977 /nfs/dbraw/zinc/00/49/77/637004977.db2.gz IIHFUCBCPHARLG-NEPJUHHUSA-N 0 1 227.348 2.447 20 0 BEADMN CC(C)COC(=O)[C@H]1CCCN1C(C)C ZINC000923892666 637011170 /nfs/dbraw/zinc/01/11/70/637011170.db2.gz UNFNJWDZGVTCHD-LLVKDONJSA-N 0 1 213.321 2.058 20 0 BEADMN C[C@@H](NCCCCn1ccnc1)c1ncco1 ZINC000924732343 637040699 /nfs/dbraw/zinc/04/06/99/637040699.db2.gz NGBOZJQCBNWOLE-LLVKDONJSA-N 0 1 234.303 2.002 20 0 BEADMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1ccn(C)n1 ZINC000927157359 637067793 /nfs/dbraw/zinc/06/77/93/637067793.db2.gz DOGWTLPMFDXMNC-WCQYABFASA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](NC1([C@H]2CCCCO2)CC1)c1ncc[nH]1 ZINC000927156965 637067853 /nfs/dbraw/zinc/06/78/53/637067853.db2.gz BVMODFFAJWXGGD-WDEREUQCSA-N 0 1 235.331 2.162 20 0 BEADMN c1cn2c(n1)[C@@H](NC1([C@H]3CCCCO3)CC1)CC2 ZINC000927159131 637068216 /nfs/dbraw/zinc/06/82/16/637068216.db2.gz LNVLTYFIOXEWCQ-NWDGAFQWSA-N 0 1 247.342 2.019 20 0 BEADMN C[C@@H](n1[nH]c(CC2CC2)cc1=O)C(F)(F)F ZINC000899355921 637082089 /nfs/dbraw/zinc/08/20/89/637082089.db2.gz FGDIABZEXUEAKC-ZCFIWIBFSA-N 0 1 234.221 2.326 20 0 BEADMN CC[C@H]1CO[C@H](C)CN1C[C@H](O)c1ccccc1 ZINC000042240462 637093502 /nfs/dbraw/zinc/09/35/02/637093502.db2.gz PAVCWAMSFVAKSU-SNPRPXQTSA-N 0 1 249.354 2.219 20 0 BEADMN CC1(C)CCC(NC(=O)Cc2cnc[nH]2)CC1 ZINC000900828148 637194504 /nfs/dbraw/zinc/19/45/04/637194504.db2.gz KDZXNYDMCLRROW-UHFFFAOYSA-N 0 1 235.331 2.037 20 0 BEADMN CN(C)Cc1ccc(NC(=O)CCF)cc1F ZINC000900952472 637212430 /nfs/dbraw/zinc/21/24/30/637212430.db2.gz RUXOETBPBCJAQE-UHFFFAOYSA-N 0 1 242.269 2.185 20 0 BEADMN CC(C)(C)c1cc[nH+]c(N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000900933356 637218014 /nfs/dbraw/zinc/21/80/14/637218014.db2.gz ADOVTYKKSYXPQX-SNVBAGLBSA-N 0 1 248.326 2.290 20 0 BEADMN CCCN(CC)CN1Cc2ccccc2C1=O ZINC000902095860 637279765 /nfs/dbraw/zinc/27/97/65/637279765.db2.gz GSDZIWGQWJGERG-UHFFFAOYSA-N 0 1 232.327 2.332 20 0 BEADMN Cc1cc(CSCc2[nH]ncc2C)on1 ZINC000902283568 637287208 /nfs/dbraw/zinc/28/72/08/637287208.db2.gz NKHGJUMFDCXOMJ-UHFFFAOYSA-N 0 1 223.301 2.448 20 0 BEADMN C[C@@H](N[C@@H]1CCOC12CCCC2)c1nccn1C ZINC000903202958 637352684 /nfs/dbraw/zinc/35/26/84/637352684.db2.gz HBIPWNRSQNIHOD-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](N[C@@H]1CCOC12CCCC2)c1nccn1C ZINC000903202956 637353635 /nfs/dbraw/zinc/35/36/35/637353635.db2.gz HBIPWNRSQNIHOD-NWDGAFQWSA-N 0 1 249.358 2.172 20 0 BEADMN C[C@H](N[C@@H]1COC[C@H]1C1CC1)c1nccs1 ZINC000903437889 637362737 /nfs/dbraw/zinc/36/27/37/637362737.db2.gz RBCGSWFMAJUUMW-INTQDDNPSA-N 0 1 238.356 2.219 20 0 BEADMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000903598687 637374173 /nfs/dbraw/zinc/37/41/73/637374173.db2.gz XDUXCZINFCLPOM-WHOHXGKFSA-N 0 1 227.348 2.464 20 0 BEADMN CC(C)[C@H](N)c1noc(CCC2(C)CC2)n1 ZINC000904499528 637432532 /nfs/dbraw/zinc/43/25/32/637432532.db2.gz GBYLLMTXAFIORJ-JTQLQIEISA-N 0 1 223.320 2.458 20 0 BEADMN C[C@@H]1C[C@@H]1c1noc(-c2cccc3[nH]nnc32)n1 ZINC000904816656 637482364 /nfs/dbraw/zinc/48/23/64/637482364.db2.gz ANGJVXPOZJUNOC-SVRRBLITSA-N 0 1 241.254 2.131 20 0 BEADMN c1cc(-c2cnc([C@@H]3CCCCN3)nc2)c[nH]1 ZINC000904843611 637502895 /nfs/dbraw/zinc/50/28/95/637502895.db2.gz MVVYBEKMSLXEHZ-LBPRGKRZSA-N 0 1 228.299 2.286 20 0 BEADMN CC[C@H](O)CN[C@H]1c2ccccc2CC[C@H]1F ZINC000905453089 637811819 /nfs/dbraw/zinc/81/18/19/637811819.db2.gz NOSFPQXJZXXTBB-YUTCNCBUSA-N 0 1 237.318 2.373 20 0 BEADMN Cn1ccc(CN2CCO[C@](C)(C3CC3)C2)c1 ZINC000668464385 637838755 /nfs/dbraw/zinc/83/87/55/637838755.db2.gz YCQDMDNKTOUNFT-AWEZNQCLSA-N 0 1 234.343 2.026 20 0 BEADMN CC(C)NCc1cn([C@H]2C=CCCC2)nn1 ZINC000905791442 637930734 /nfs/dbraw/zinc/93/07/34/637930734.db2.gz CRHOOBVQJRZICO-LBPRGKRZSA-N 0 1 220.320 2.057 20 0 BEADMN CC(C)NCc1cn(CC23CCC(CC2)C3)nn1 ZINC000905801919 637934902 /nfs/dbraw/zinc/93/49/02/637934902.db2.gz CHKMICPJILSKMD-UHFFFAOYSA-N 0 1 248.374 2.356 20 0 BEADMN CC(C)NCc1cn(C/C(Cl)=C/Cl)nn1 ZINC000905816643 637944822 /nfs/dbraw/zinc/94/48/22/637944822.db2.gz QHHKEBPNYIAYRF-BAQGIRSFSA-N 0 1 249.145 2.095 20 0 BEADMN CC(C)(CNc1[nH]c2ccccc2[nH+]1)CC(=O)[O-] ZINC000906149203 638076501 /nfs/dbraw/zinc/07/65/01/638076501.db2.gz PTFGPMOURHZDLB-UHFFFAOYSA-N 0 1 247.298 2.476 20 0 BEADMN c1cncc(-c2cnc([C@@H]3CCCCN3)nc2)c1 ZINC000906164907 638079618 /nfs/dbraw/zinc/07/96/18/638079618.db2.gz NGWRNNWKJTYYFV-ZDUSSCGKSA-N 0 1 240.310 2.353 20 0 BEADMN c1ccc(-c2cnc([C@H]3CCCCN3)nc2)nc1 ZINC000906162549 638100123 /nfs/dbraw/zinc/10/01/23/638100123.db2.gz CPAKKAKPUBUXCN-CYBMUJFWSA-N 0 1 240.310 2.353 20 0 BEADMN C[C@@H]1C[C@H](C)CN(Cc2cn(C3CC3)nn2)C1 ZINC000906253523 638119020 /nfs/dbraw/zinc/11/90/20/638119020.db2.gz AAQRUYARNUPOKW-PHIMTYICSA-N 0 1 234.347 2.091 20 0 BEADMN C[C@H]1C[C@H](C)CN(Cc2cn(C3CC3)nn2)C1 ZINC000906253524 638119342 /nfs/dbraw/zinc/11/93/42/638119342.db2.gz AAQRUYARNUPOKW-QWRGUYRKSA-N 0 1 234.347 2.091 20 0 BEADMN CCN(Cc1cn(C2CC2)nn1)C1CCCC1 ZINC000906254859 638119376 /nfs/dbraw/zinc/11/93/76/638119376.db2.gz REPPAUBWPALASE-UHFFFAOYSA-N 0 1 234.347 2.378 20 0 BEADMN c1c(CN2CCC3(CCCC3)C2)nnn1C1CC1 ZINC000906270491 638124569 /nfs/dbraw/zinc/12/45/69/638124569.db2.gz BWKIXHBGTOTXRQ-UHFFFAOYSA-N 0 1 246.358 2.379 20 0 BEADMN CC[C@H](C)CN(CC)Cc1cn(C2CC2)nn1 ZINC000906272299 638124984 /nfs/dbraw/zinc/12/49/84/638124984.db2.gz VVDOPKBYUBDNHN-NSHDSACASA-N 0 1 236.363 2.481 20 0 BEADMN CC(C)[C@H]1CCN(Cc2cn(C3CC3)nn2)C1 ZINC000906274395 638127197 /nfs/dbraw/zinc/12/71/97/638127197.db2.gz SPEKVMHIRNEKOV-NSHDSACASA-N 0 1 234.347 2.091 20 0 BEADMN c1c(CN2CCC[C@H]2C2CCC2)nnn1C1CC1 ZINC000906263779 638129195 /nfs/dbraw/zinc/12/91/95/638129195.db2.gz NPYJNYHBWIXHNP-AWEZNQCLSA-N 0 1 246.358 2.378 20 0 BEADMN C[C@@H]1CCCN(Cc2cn(C3CC3)nn2)[C@H]1C ZINC000906269362 638132278 /nfs/dbraw/zinc/13/22/78/638132278.db2.gz MIFRJLXLZDXBAN-MNOVXSKESA-N 0 1 234.347 2.233 20 0 BEADMN C[C@@H]1[C@@H](C)CCCN1Cc1cn(C2CC2)nn1 ZINC000906269364 638133018 /nfs/dbraw/zinc/13/30/18/638133018.db2.gz MIFRJLXLZDXBAN-WDEREUQCSA-N 0 1 234.347 2.233 20 0 BEADMN C[C@H]1CC2(CCC2)CN1Cc1cn(C2CC2)nn1 ZINC000906292446 638134029 /nfs/dbraw/zinc/13/40/29/638134029.db2.gz HODHYWPAVHFDTB-NSHDSACASA-N 0 1 246.358 2.378 20 0 BEADMN c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nnn1C1CC1 ZINC000906305398 638138278 /nfs/dbraw/zinc/13/82/78/638138278.db2.gz QIFAPYCVVTUDHV-TXEJJXNPSA-N 0 1 246.358 2.235 20 0 BEADMN c1c(CN2C[C@@H]3CCCC[C@@H]3C2)nnn1C1CC1 ZINC000906305398 638138283 /nfs/dbraw/zinc/13/82/83/638138283.db2.gz QIFAPYCVVTUDHV-TXEJJXNPSA-N 0 1 246.358 2.235 20 0 BEADMN CCCCNCc1noc2c1CCCC2 ZINC000906530877 638198391 /nfs/dbraw/zinc/19/83/91/638198391.db2.gz DXBZNUSYBVAWFC-UHFFFAOYSA-N 0 1 208.305 2.443 20 0 BEADMN CC(Cl)=CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000907368172 638363408 /nfs/dbraw/zinc/36/34/08/638363408.db2.gz LHBIKUGUNFKSNE-AATRIKPKSA-N 0 1 240.694 2.153 20 0 BEADMN C/C(Cl)=C\C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000907368172 638363412 /nfs/dbraw/zinc/36/34/12/638363412.db2.gz LHBIKUGUNFKSNE-AATRIKPKSA-N 0 1 240.694 2.153 20 0 BEADMN C[C@@H](C1CCCCC1)N(C)C(=O)Cc1c[nH]cn1 ZINC000907796731 638475180 /nfs/dbraw/zinc/47/51/80/638475180.db2.gz GFRDJHRYGCYKJT-NSHDSACASA-N 0 1 249.358 2.379 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1ccn(C(C)C)n1 ZINC000907929019 638514729 /nfs/dbraw/zinc/51/47/29/638514729.db2.gz YXFCGIIJAFFSEF-UHFFFAOYSA-N 0 1 247.302 2.002 20 0 BEADMN CC(C)C[C@]1(C)CCCN1C(=O)Cc1c[nH]cn1 ZINC000908555557 639012131 /nfs/dbraw/zinc/01/21/31/639012131.db2.gz GOVAISOPXQYDNR-AWEZNQCLSA-N 0 1 249.358 2.379 20 0 BEADMN CCC[C@@H](NC(=O)Cc1cnc[nH]1)C(C)(C)C ZINC000908686458 639045097 /nfs/dbraw/zinc/04/50/97/639045097.db2.gz ASUFSLZCZGCHOR-LLVKDONJSA-N 0 1 237.347 2.283 20 0 BEADMN CC(C)(CNC(=O)c1[nH]ncc1F)C1CCC1 ZINC000908942911 639097970 /nfs/dbraw/zinc/09/79/70/639097970.db2.gz IQDXVAIBRIUXOT-UHFFFAOYSA-N 0 1 239.294 2.105 20 0 BEADMN CCC1(NC(=O)c2[nH]ncc2F)CCCCC1 ZINC000909036296 639122199 /nfs/dbraw/zinc/12/21/99/639122199.db2.gz VBQGLDXCQJLYHF-UHFFFAOYSA-N 0 1 239.294 2.392 20 0 BEADMN CC[C@@H](C)N1CCN(C(=O)/C=C(/C)Cl)CC1 ZINC000909262451 639188234 /nfs/dbraw/zinc/18/82/34/639188234.db2.gz SXQWCIXPGCJIPN-DWOQACPDSA-N 0 1 244.766 2.072 20 0 BEADMN CCC[C@H](NC(=O)Cc1cnc[nH]1)C1CCC1 ZINC000909930693 639281818 /nfs/dbraw/zinc/28/18/18/639281818.db2.gz UBGSOUQMSDUHJY-LBPRGKRZSA-N 0 1 235.331 2.037 20 0 BEADMN CCCCCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246483496 639298966 /nfs/dbraw/zinc/29/89/66/639298966.db2.gz GTMMJHFKWHYBSQ-CHWSQXEVSA-N 0 1 238.375 2.310 20 0 BEADMN C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)C(=O)[O-] ZINC000910430334 639446589 /nfs/dbraw/zinc/44/65/89/639446589.db2.gz HYKWKDXPHDXAKG-DTWKUNHWSA-N 0 1 247.298 2.094 20 0 BEADMN Cc1cc[nH+]c(N[C@H](C)CCC(=O)[O-])c1 ZINC000910437685 639461104 /nfs/dbraw/zinc/46/11/04/639461104.db2.gz SHQUUTWORLBZJA-SECBINFHSA-N 0 1 208.261 2.055 20 0 BEADMN COC/C(C)=C\CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000930271453 639676234 /nfs/dbraw/zinc/67/62/34/639676234.db2.gz XXYQDIIAOXYEKL-HPJOQNQSSA-N 0 1 239.359 2.078 20 0 BEADMN CO[C@]1(C)CCCN([C@H](C)c2ncccn2)CC1 ZINC000930290222 639682159 /nfs/dbraw/zinc/68/21/59/639682159.db2.gz YLIRDYYRERMEFA-TZMCWYRMSA-N 0 1 249.358 2.429 20 0 BEADMN CC[C@H](CO)N1CCC(C)=C(Br)C1 ZINC000930308157 639692445 /nfs/dbraw/zinc/69/24/45/639692445.db2.gz OJIHPXSEJNVISH-SECBINFHSA-N 0 1 248.164 2.132 20 0 BEADMN CC[C@@H]1C[C@H]1CN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000930455677 639758894 /nfs/dbraw/zinc/75/88/94/639758894.db2.gz RAMROFLGJXDNBW-SMTWKSNJSA-N 0 1 243.416 2.264 20 0 BEADMN CC[C@@H]1C[C@H]1CN1Cc2ccncc2C1 ZINC000930462061 639765570 /nfs/dbraw/zinc/76/55/70/639765570.db2.gz FDFOVULHYXQGJR-PWSUYJOCSA-N 0 1 202.301 2.443 20 0 BEADMN CC[C@@H]1C[C@H]1CN1CCOC[C@@H]1CC(F)F ZINC000930469128 639768079 /nfs/dbraw/zinc/76/80/79/639768079.db2.gz JNDAFLJUIHDARY-VWYCJHECSA-N 0 1 233.302 2.389 20 0 BEADMN CCc1onc(C)c1CN(CC)C[C@@H](C)OC ZINC000930538547 639805518 /nfs/dbraw/zinc/80/55/18/639805518.db2.gz GJJZEFXINKWBIR-SNVBAGLBSA-N 0 1 240.347 2.402 20 0 BEADMN CCc1onc(C)c1CN(CC)C[C@H](C)OC ZINC000930538545 639806706 /nfs/dbraw/zinc/80/67/06/639806706.db2.gz GJJZEFXINKWBIR-JTQLQIEISA-N 0 1 240.347 2.402 20 0 BEADMN CN(CCCC(C)(F)F)[C@@H]1CC(C)(C)OC1=O ZINC000930563601 639811614 /nfs/dbraw/zinc/81/16/14/639811614.db2.gz YCRTYFBCGIZEID-SECBINFHSA-N 0 1 249.301 2.448 20 0 BEADMN CCc1ncc(CN2CC[C@@H](SC)C2)o1 ZINC000930610145 639821418 /nfs/dbraw/zinc/82/14/18/639821418.db2.gz PHPNDFQNAPRASF-SNVBAGLBSA-N 0 1 226.345 2.174 20 0 BEADMN COC/C(C)=C\CN(C)Cc1ccccn1 ZINC000930614698 639823113 /nfs/dbraw/zinc/82/31/13/639823113.db2.gz FQMWTXAGGCQMDP-GHXNOFRVSA-N 0 1 220.316 2.106 20 0 BEADMN CC1CCC(C)(C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000911801659 639823678 /nfs/dbraw/zinc/82/36/78/639823678.db2.gz FOALDRAWFWURAO-LXVYMNJGSA-N 0 1 238.375 2.023 20 0 BEADMN Cc1ccc(CN(C)CCOC2CC2)nc1 ZINC000930614573 639823829 /nfs/dbraw/zinc/82/38/29/639823829.db2.gz KKPZVZKDLIRXBS-UHFFFAOYSA-N 0 1 220.316 2.001 20 0 BEADMN CO[C@@H]1C[C@H](N[C@H](C)c2ncccn2)C12CCC2 ZINC000930699789 639866793 /nfs/dbraw/zinc/86/67/93/639866793.db2.gz MAXLLDVZUPUSSQ-GRYCIOLGSA-N 0 1 247.342 2.085 20 0 BEADMN Cc1ccc([C@@H](O)CN2CCOC(C)(C)C2)cc1 ZINC000044159785 639894311 /nfs/dbraw/zinc/89/43/11/639894311.db2.gz SSJWOUAKRYIVMY-AWEZNQCLSA-N 0 1 249.354 2.139 20 0 BEADMN C[C@H](c1ncccn1)N1CCC[C@H](CCO)CC1 ZINC000930753876 639898296 /nfs/dbraw/zinc/89/82/96/639898296.db2.gz JTWXMLGFFGIPOU-OLZOCXBDSA-N 0 1 249.358 2.022 20 0 BEADMN CC[C@H](C(=O)N(C)c1ccsc1)N(C)C ZINC000912007795 639914651 /nfs/dbraw/zinc/91/46/51/639914651.db2.gz PBFXDUWFSYHIIW-SNVBAGLBSA-N 0 1 226.345 2.051 20 0 BEADMN CCN(CC)CC(=O)N(C)c1ccsc1 ZINC000912010887 639926517 /nfs/dbraw/zinc/92/65/17/639926517.db2.gz RSSGAXMHKQWCPZ-UHFFFAOYSA-N 0 1 226.345 2.053 20 0 BEADMN C(c1[nH]nc2c1COCC2)N1CCC12CCCC2 ZINC000930844292 639940674 /nfs/dbraw/zinc/94/06/74/639940674.db2.gz FBEHKRJDEDKGIQ-UHFFFAOYSA-N 0 1 247.342 2.001 20 0 BEADMN CC[C@@H]1CN(C/C=C(\C)COC)[C@@H](CC)CO1 ZINC000930853952 639951821 /nfs/dbraw/zinc/95/18/21/639951821.db2.gz XAXHQPNXFUQUFC-NAICIEFVSA-N 0 1 241.375 2.469 20 0 BEADMN Cc1cc(C)nc(CN(C)Cc2cnc[nH]2)c1 ZINC000930914473 639984390 /nfs/dbraw/zinc/98/43/90/639984390.db2.gz FGRDCRAVRRFBHW-UHFFFAOYSA-N 0 1 230.315 2.054 20 0 BEADMN CCN(C(=O)c1ccc2n1CCN[C@H]2C)C(C)C ZINC000912238608 639999271 /nfs/dbraw/zinc/99/92/71/639999271.db2.gz JVDWPOMNVZERHD-NSHDSACASA-N 0 1 249.358 2.023 20 0 BEADMN CCCN(CC)C(=O)c1ccc2n1CCN[C@H]2C ZINC000912261314 640006509 /nfs/dbraw/zinc/00/65/09/640006509.db2.gz DJXOFZJOSAWHKT-NSHDSACASA-N 0 1 249.358 2.024 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@@H](CCF)C1 ZINC000931014354 640018166 /nfs/dbraw/zinc/01/81/66/640018166.db2.gz AVFBETNDXCUVPI-LBPRGKRZSA-N 0 1 239.338 2.300 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCC2(COC2)C1 ZINC000931063073 640049495 /nfs/dbraw/zinc/04/94/95/640049495.db2.gz VHADWAAGKCMGOR-SNVBAGLBSA-N 0 1 236.290 2.004 20 0 BEADMN CCCCN1CCc2nc[nH]c2C12CCOCC2 ZINC000931103181 640066492 /nfs/dbraw/zinc/06/64/92/640066492.db2.gz RYYMYXNHUJHMFA-UHFFFAOYSA-N 0 1 249.358 2.074 20 0 BEADMN CC[C@@](O)(CN(C1CC1)C1CC1)C(F)(F)F ZINC000931178470 640090845 /nfs/dbraw/zinc/09/08/45/640090845.db2.gz FMSHIYBFMLFHHD-SNVBAGLBSA-N 0 1 237.265 2.317 20 0 BEADMN CCc1ncc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000931256849 640112892 /nfs/dbraw/zinc/11/28/92/640112892.db2.gz FJQVAUIZZGBLNI-QYTUQVAYSA-N 0 1 238.331 2.139 20 0 BEADMN CCc1ncc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)o1 ZINC000931256850 640113040 /nfs/dbraw/zinc/11/30/40/640113040.db2.gz FJQVAUIZZGBLNI-WJZNIJOASA-N 0 1 238.331 2.139 20 0 BEADMN COC(=O)/C=C(/C)CN1CCC(F)(F)C[C@@H]1C ZINC000931255523 640114454 /nfs/dbraw/zinc/11/44/54/640114454.db2.gz UDSAOQHQHPQUPP-MBACFSSFSA-N 0 1 247.285 2.225 20 0 BEADMN O[C@@H](CNCc1ccc(Cl)o1)c1ccco1 ZINC000163627089 640230066 /nfs/dbraw/zinc/23/00/66/640230066.db2.gz WEUKELOOYRYMOV-VIFPVBQESA-N 0 1 241.674 2.349 20 0 BEADMN CCC(C)(CC)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912908587 640232800 /nfs/dbraw/zinc/23/28/00/640232800.db2.gz BBPYTGCYVLJHNW-GFCCVEGCSA-N 0 1 238.375 2.119 20 0 BEADMN CCCC[C@@H](C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912907484 640234754 /nfs/dbraw/zinc/23/47/54/640234754.db2.gz HQZVPNNJPLTWCG-CHWSQXEVSA-N 0 1 238.375 2.119 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CCC(C)(F)CC1 ZINC000931503764 640236238 /nfs/dbraw/zinc/23/62/38/640236238.db2.gz JWSVJJKSVZRNEV-QWRGUYRKSA-N 0 1 245.338 2.398 20 0 BEADMN C[C@H]1CC=C(C(=O)N2CC[C@H](N3CCC3)C2)CC1 ZINC000912902244 640247425 /nfs/dbraw/zinc/24/74/25/640247425.db2.gz CIQCEHVLTCMOHR-JSGCOSHPSA-N 0 1 248.370 2.039 20 0 BEADMN C[C@H](OC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000151149705 640310158 /nfs/dbraw/zinc/31/01/58/640310158.db2.gz ODMYZNNNKSZDAU-JTQLQIEISA-N 0 1 245.282 2.042 20 0 BEADMN Cc1nnsc1[C@@H](C)N1CC[C@H](CF)C1 ZINC000931687184 640315005 /nfs/dbraw/zinc/31/50/05/640315005.db2.gz SYOZTWKTCUXZSL-RKDXNWHRSA-N 0 1 229.324 2.199 20 0 BEADMN CN1CCCC[C@H]1C(=O)N1CC=CC12CCCC2 ZINC000913202472 640321657 /nfs/dbraw/zinc/32/16/57/640321657.db2.gz ONBFWSVWHMUCIL-ZDUSSCGKSA-N 0 1 248.370 2.182 20 0 BEADMN CCCCc1nc(CN[C@H](CC)CO)cs1 ZINC000931765079 640357710 /nfs/dbraw/zinc/35/77/10/640357710.db2.gz AXTBIKWLGVPSRA-SNVBAGLBSA-N 0 1 242.388 2.346 20 0 BEADMN CC[C@H](CO)N[C@@H](C)c1nc2ccccc2o1 ZINC000931774025 640366246 /nfs/dbraw/zinc/36/62/46/640366246.db2.gz HVHJFVADTRVWGS-VHSXEESVSA-N 0 1 234.299 2.249 20 0 BEADMN FCCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931923895 640391059 /nfs/dbraw/zinc/39/10/59/640391059.db2.gz AXPUGBSWOLPDED-QWHCGFSZSA-N 0 1 205.276 2.229 20 0 BEADMN FCCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931923893 640392125 /nfs/dbraw/zinc/39/21/25/640392125.db2.gz AXPUGBSWOLPDED-OLZOCXBDSA-N 0 1 205.276 2.229 20 0 BEADMN Cc1nc([C@H]2CCN(Cc3ccsc3)C2)no1 ZINC000931935650 640397797 /nfs/dbraw/zinc/39/77/97/640397797.db2.gz GTDCAGZWBZKRTN-NSHDSACASA-N 0 1 249.339 2.429 20 0 BEADMN CCOc1ccc(NCc2cnc[nH]2)cc1 ZINC000054762944 640404649 /nfs/dbraw/zinc/40/46/49/640404649.db2.gz IOYCOEHZNJHHAL-UHFFFAOYSA-N 0 1 217.272 2.421 20 0 BEADMN CCc1nc(CNC[C@@H](O)CC(C)C)cs1 ZINC000163727672 640414392 /nfs/dbraw/zinc/41/43/92/640414392.db2.gz LCPOXAMXKZNJAB-NSHDSACASA-N 0 1 242.388 2.202 20 0 BEADMN CO[C@H](C)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000932075558 640421437 /nfs/dbraw/zinc/42/14/37/640421437.db2.gz PROWZHQXJFYXQV-HTQZYQBOSA-N 0 1 243.294 2.001 20 0 BEADMN CCn1cc(CN2CC[C@@H](C)C[C@@H](C)C2)nn1 ZINC000932125975 640431858 /nfs/dbraw/zinc/43/18/58/640431858.db2.gz CLNTVWGPNAHFHI-VXGBXAGGSA-N 0 1 236.363 2.166 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ncccc2C)no1 ZINC000044626263 640446574 /nfs/dbraw/zinc/44/65/74/640446574.db2.gz QQDZOBBTDCVSEM-SECBINFHSA-N 0 1 232.287 2.111 20 0 BEADMN Cn1nccc1[C@@H]1CCCN1CCOC1CCC1 ZINC000932264048 640463492 /nfs/dbraw/zinc/46/34/92/640463492.db2.gz HJMZJLVRMOSVIU-AWEZNQCLSA-N 0 1 249.358 2.126 20 0 BEADMN Cc1ccc(CN2CCO[C@@H](C)CC2)cn1 ZINC000932336467 640476595 /nfs/dbraw/zinc/47/65/95/640476595.db2.gz PYAJQPKNCVADLA-LBPRGKRZSA-N 0 1 220.316 2.001 20 0 BEADMN Cc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])nc1 ZINC000156666088 640478160 /nfs/dbraw/zinc/47/81/60/640478160.db2.gz MFLHPANJFILDOO-CYBMUJFWSA-N 0 1 248.326 2.219 20 0 BEADMN Cc1[nH+]c(N2C[C@@H](C)C[C@@H]2C)ccc1C(=O)[O-] ZINC000164426700 640480714 /nfs/dbraw/zinc/48/07/14/640480714.db2.gz QAKGYSIIAIFUNZ-IUCAKERBSA-N 0 1 234.299 2.323 20 0 BEADMN CC(C)OCCCN[C@@H](c1ncccn1)C1CC1 ZINC000932359599 640498371 /nfs/dbraw/zinc/49/83/71/640498371.db2.gz GPKSKDGWRLPWHM-CYBMUJFWSA-N 0 1 249.358 2.332 20 0 BEADMN CC[C@H](NCc1c[nH]cn1)c1ccncc1 ZINC000164690203 640499035 /nfs/dbraw/zinc/49/90/35/640499035.db2.gz ZTWVYNHJIIIHBM-LBPRGKRZSA-N 0 1 216.288 2.046 20 0 BEADMN Cc1cc(N[C@H]2CCC[C@]2(C)C(=O)[O-])nc(C)[nH+]1 ZINC000165024464 640528413 /nfs/dbraw/zinc/52/84/13/640528413.db2.gz QYHXIRZPTWOTMS-GWCFXTLKSA-N 0 1 249.314 2.149 20 0 BEADMN CC(=O)NC1CN(CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001030040091 640532434 /nfs/dbraw/zinc/53/24/34/640532434.db2.gz NCHVPBQMUGAWHP-DGCLKSJQSA-N 0 1 238.375 2.023 20 0 BEADMN CCOC1CC(CN2CCn3cccc3C2)C1 ZINC000932525004 640562964 /nfs/dbraw/zinc/56/29/64/640562964.db2.gz SCMGGWXTEHQQGZ-UHFFFAOYSA-N 0 1 234.343 2.119 20 0 BEADMN FC(F)(F)CCN1CCn2cccc2C1 ZINC000932525118 640563934 /nfs/dbraw/zinc/56/39/34/640563934.db2.gz CQHAHDHSOPDKKN-UHFFFAOYSA-N 0 1 218.222 2.256 20 0 BEADMN CCN(CC1CC1)C(=O)c1cccc(F)c1O ZINC000932585821 640578636 /nfs/dbraw/zinc/57/86/36/640578636.db2.gz GEUAEOMBBXQPRV-UHFFFAOYSA-N 0 1 237.274 2.403 20 0 BEADMN CSCC1CCN(Cc2ccno2)CC1 ZINC000932592014 640580819 /nfs/dbraw/zinc/58/08/19/640580819.db2.gz XTXWERCPTHNINM-UHFFFAOYSA-N 0 1 226.345 2.250 20 0 BEADMN COCC[C@H](C)N1CCn2nc(C3CC3)cc2C1 ZINC000932605118 640582956 /nfs/dbraw/zinc/58/29/56/640582956.db2.gz BWSRFTMMCQEOJF-NSHDSACASA-N 0 1 249.358 2.001 20 0 BEADMN CC(C)N1CCn2nc(C(F)(F)F)cc2C1 ZINC000932597927 640583543 /nfs/dbraw/zinc/58/35/43/640583543.db2.gz DHWRCQFCPDWECE-UHFFFAOYSA-N 0 1 233.237 2.126 20 0 BEADMN C[C@H]1C[C@H]1CN1CCn2nc(C3CC3)cc2C1 ZINC000932601644 640583670 /nfs/dbraw/zinc/58/36/70/640583670.db2.gz QCWRFQAZUSPAJE-JQWIXIFHSA-N 0 1 231.343 2.232 20 0 BEADMN CC(C)(C)c1cc2n(n1)CCN(CC1CC1)C2 ZINC000932617999 640587802 /nfs/dbraw/zinc/58/78/02/640587802.db2.gz PANACLVBIXSHHY-UHFFFAOYSA-N 0 1 233.359 2.406 20 0 BEADMN CC(C)N1CCn2nc(C(C)(C)C)cc2C1 ZINC000932618146 640588675 /nfs/dbraw/zinc/58/86/75/640588675.db2.gz OLLGEMXGHCOHFC-UHFFFAOYSA-N 0 1 221.348 2.405 20 0 BEADMN Cc1cc(CNC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)n[nH]1 ZINC000932786006 640610804 /nfs/dbraw/zinc/61/08/04/640610804.db2.gz BIGBPPAJGHWPFL-HFHAKLMTSA-N 0 1 247.342 2.017 20 0 BEADMN CC1(C)[C@H](O)C[C@H]1NCc1scnc1Cl ZINC000713496878 711491246 /nfs/dbraw/zinc/49/12/46/711491246.db2.gz QUJMILJYTCKOMX-HTQZYQBOSA-N 0 1 246.763 2.046 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000713710627 711492753 /nfs/dbraw/zinc/49/27/53/711492753.db2.gz ACTYRPBVYFSFSC-ZFDPJTLLSA-N 0 1 223.316 2.305 20 0 BEADMN C(C1CC1)[C@H]1COCCN1C[C@@H]1CCCCO1 ZINC000933209738 640679090 /nfs/dbraw/zinc/67/90/90/640679090.db2.gz HBKSKHQGVIPTKF-KBPBESRZSA-N 0 1 239.359 2.056 20 0 BEADMN CC[C@@H]1C(=O)NCCCN1CCCC(C)(F)F ZINC000933219010 640681850 /nfs/dbraw/zinc/68/18/50/640681850.db2.gz PLKGLSUBGJSPDC-SNVBAGLBSA-N 0 1 248.317 2.022 20 0 BEADMN CO[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225331993 640682054 /nfs/dbraw/zinc/68/20/54/640682054.db2.gz WFWBVGYLIBIFKG-JGVFFNPUSA-N 0 1 246.763 2.454 20 0 BEADMN CO[C@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225332028 640682146 /nfs/dbraw/zinc/68/21/46/640682146.db2.gz WFWBVGYLIBIFKG-YUMQZZPRSA-N 0 1 246.763 2.454 20 0 BEADMN Cc1ccccc1[C@@H](C)C(=O)NCc1cnc[nH]1 ZINC000933269556 640696475 /nfs/dbraw/zinc/69/64/75/640696475.db2.gz QLKGMXIBIGMDFG-LLVKDONJSA-N 0 1 243.310 2.138 20 0 BEADMN C[C@H]1CN(Cc2ccc(Cl)nn2)C[C@H]1C ZINC000167410414 640718229 /nfs/dbraw/zinc/71/82/29/640718229.db2.gz BQQXDSBOAXWTJQ-DTORHVGOSA-N 0 1 225.723 2.218 20 0 BEADMN CC1(C)[C@@H]2CN(C(=O)c3cccc(F)c3O)C[C@@H]21 ZINC000933553352 640725378 /nfs/dbraw/zinc/72/53/78/640725378.db2.gz QJLADVZZTOUHCS-AOOOYVTPSA-N 0 1 249.285 2.259 20 0 BEADMN CC(C)=CCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933670016 640742221 /nfs/dbraw/zinc/74/22/21/640742221.db2.gz SRHXRXWVWILUQI-KGLIPLIRSA-N 0 1 239.359 2.080 20 0 BEADMN Cc1nonc1C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706549 640750965 /nfs/dbraw/zinc/75/09/65/640750965.db2.gz WMJNGOKNOXTVSL-CZXHOFHRSA-N 0 1 247.342 2.246 20 0 BEADMN Cc1nonc1CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706549 640750969 /nfs/dbraw/zinc/75/09/69/640750969.db2.gz WMJNGOKNOXTVSL-CZXHOFHRSA-N 0 1 247.342 2.246 20 0 BEADMN Cn1cnc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000933706771 640751670 /nfs/dbraw/zinc/75/16/70/640751670.db2.gz YPXNHAFOWBKJEW-OSRDXIQISA-N 0 1 245.370 2.288 20 0 BEADMN c1cnc(CN2CCCSC[C@H]2C2CC2)nc1 ZINC000933917456 640789119 /nfs/dbraw/zinc/78/91/19/640789119.db2.gz KKXGRVMBCYPISH-LBPRGKRZSA-N 0 1 249.383 2.194 20 0 BEADMN Cc1nn(C)c(Cl)c1CN(C)C[C@H]1C[C@H]1C ZINC000226977386 640807831 /nfs/dbraw/zinc/80/78/31/640807831.db2.gz UMQFHJUCKPJQMO-PSASIEDQSA-N 0 1 241.766 2.470 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1cnc(C)s1 ZINC000934103765 640812675 /nfs/dbraw/zinc/81/26/75/640812675.db2.gz FSRCRMDRRGPXPL-MNOVXSKESA-N 0 1 226.345 2.061 20 0 BEADMN Cc1cncc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000228613153 640885645 /nfs/dbraw/zinc/88/56/45/640885645.db2.gz YXTMNSFHEPBLAT-GFCCVEGCSA-N 0 1 248.326 2.077 20 0 BEADMN CSCC[C@H](C)NCc1ncnn1C(C)C ZINC000228912549 640905015 /nfs/dbraw/zinc/90/50/15/640905015.db2.gz NBUHBNDAULRTBN-JTQLQIEISA-N 0 1 242.392 2.090 20 0 BEADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])o1 ZINC000229294558 640942442 /nfs/dbraw/zinc/94/24/42/640942442.db2.gz YQTJZILPVGKIEH-CABZTGNLSA-N 0 1 237.299 2.273 20 0 BEADMN Cc1ccoc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000229552718 640966468 /nfs/dbraw/zinc/96/64/68/640966468.db2.gz LWVATNQMUYPFOO-LBPRGKRZSA-N 0 1 223.272 2.027 20 0 BEADMN Cn1c(Cl)cnc1CNC[C@@H]1CCCS1 ZINC000087669177 640966851 /nfs/dbraw/zinc/96/68/51/640966851.db2.gz GGUVLOAOEJMJPP-QMMMGPOBSA-N 0 1 245.779 2.059 20 0 BEADMN Cc1ccoc1C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000229552652 640967163 /nfs/dbraw/zinc/96/71/63/640967163.db2.gz JSWKUXDPCMHOMO-NSHDSACASA-N 0 1 237.299 2.417 20 0 BEADMN CC(C)CCN(C)CN1C[C@H](C(C)C)CC1=O ZINC000172066312 641033459 /nfs/dbraw/zinc/03/34/59/641033459.db2.gz FFVKCWOYUZOMKR-CYBMUJFWSA-N 0 1 240.391 2.426 20 0 BEADMN C[C@@H]1CCN(C(=O)c2cccc(F)c2O)[C@H]1C ZINC000934103071 641063528 /nfs/dbraw/zinc/06/35/28/641063528.db2.gz PEKXNLXZFCKHFD-BDAKNGLRSA-N 0 1 237.274 2.402 20 0 BEADMN CO[C@H]1CC[C@H]1N(C)Cc1c(C)nsc1C ZINC000934107267 641071224 /nfs/dbraw/zinc/07/12/24/641071224.db2.gz HCJONZQPWHJTOJ-NEPJUHHUSA-N 0 1 240.372 2.369 20 0 BEADMN CO[C@@H]1CC[C@@H]1N(C)Cc1cccc(C(C)=O)c1 ZINC000934113261 641076549 /nfs/dbraw/zinc/07/65/49/641076549.db2.gz ZCCDLBQTAQQOOC-LSDHHAIUSA-N 0 1 247.338 2.498 20 0 BEADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccs2)C1 ZINC000062876845 641104214 /nfs/dbraw/zinc/10/42/14/641104214.db2.gz BGYDOSMGJIZEDK-GFCCVEGCSA-N 0 1 239.340 2.435 20 0 BEADMN Cc1nc(CN[C@H](C)Cc2cccnc2)oc1C ZINC000934233129 641109814 /nfs/dbraw/zinc/10/98/14/641109814.db2.gz DMMZEDIGANRFBG-SNVBAGLBSA-N 0 1 245.326 2.407 20 0 BEADMN Cc1cn(C)nc1CN1CCCSC[C@H]1C ZINC000934293621 641117046 /nfs/dbraw/zinc/11/70/46/641117046.db2.gz AVCKODNCXWTBAT-LLVKDONJSA-N 0 1 239.388 2.056 20 0 BEADMN Cc1cc(CN[C@@H]2CCOC23CCCC3)no1 ZINC000934385921 641138176 /nfs/dbraw/zinc/13/81/76/641138176.db2.gz ZJUPJGHADRPBFL-GFCCVEGCSA-N 0 1 236.315 2.174 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(CC)C2CC2)C1 ZINC000173301580 641162609 /nfs/dbraw/zinc/16/26/09/641162609.db2.gz ISACBUAIMOCTGY-NSHDSACASA-N 0 1 224.348 2.077 20 0 BEADMN COC/C(C)=C/CN1CCOC[C@@]1(C)C1CC1 ZINC000934475461 641168211 /nfs/dbraw/zinc/16/82/11/641168211.db2.gz NJLGORSJLGSCLE-CYIWUNGXSA-N 0 1 239.359 2.080 20 0 BEADMN COC/C(C)=C\CN1CCOC[C@]1(C)C1CC1 ZINC000934475462 641168580 /nfs/dbraw/zinc/16/85/80/641168580.db2.gz NJLGORSJLGSCLE-NFEOESJKSA-N 0 1 239.359 2.080 20 0 BEADMN CCC[C@H]1CC(=O)N(CN(CCC)C2CC2)C1 ZINC000173340607 641172792 /nfs/dbraw/zinc/17/27/92/641172792.db2.gz YOQVUUNVIQPOAD-LBPRGKRZSA-N 0 1 238.375 2.467 20 0 BEADMN CC[C@@]1(C)CCCN(CN2C[C@H](C)CC2=O)C1 ZINC000173426035 641175275 /nfs/dbraw/zinc/17/52/75/641175275.db2.gz SRFFDJOJTMCTCU-OCCSQVGLSA-N 0 1 238.375 2.324 20 0 BEADMN CC[C@]1(C)CCCN(CN2CCOC2=S)C1 ZINC000173424757 641175485 /nfs/dbraw/zinc/17/54/85/641175485.db2.gz LDKMXWHMMJPCSU-GFCCVEGCSA-N 0 1 242.388 2.073 20 0 BEADMN CC[C@@]1(C)CCCN(CN2CCCC2=O)C1 ZINC000173422373 641176065 /nfs/dbraw/zinc/17/60/65/641176065.db2.gz MYACRPJUWNFEQE-ZDUSSCGKSA-N 0 1 224.348 2.078 20 0 BEADMN CCC[C@@]1(C)CCCN(CN2CCCC2=O)C1 ZINC000173535855 641180327 /nfs/dbraw/zinc/18/03/27/641180327.db2.gz UVSLUAYDPOMZHY-AWEZNQCLSA-N 0 1 238.375 2.469 20 0 BEADMN Cc1ccc2oc(=O)n(CN3CCC[C@@H]3C)c2c1 ZINC000173528910 641182215 /nfs/dbraw/zinc/18/22/15/641182215.db2.gz HDYRZBZFASMIHU-NSHDSACASA-N 0 1 246.310 2.345 20 0 BEADMN CSCC(C)(C)NCc1cscn1 ZINC000934676262 641245477 /nfs/dbraw/zinc/24/54/77/641245477.db2.gz KGWPYQMQCTXWED-UHFFFAOYSA-N 0 1 216.375 2.374 20 0 BEADMN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(O)cc1 ZINC000934752764 641258467 /nfs/dbraw/zinc/25/84/67/641258467.db2.gz BJZANCZAWSBCKU-ZDUSSCGKSA-N 0 1 248.326 2.204 20 0 BEADMN Cc1cc(C[NH2+]Cc2ccco2)oc1C(=O)[O-] ZINC000232440023 641269656 /nfs/dbraw/zinc/26/96/56/641269656.db2.gz FIDURTTZEQLAFH-UHFFFAOYSA-N 0 1 235.239 2.169 20 0 BEADMN c1cn(C2CC2)c(NCc2cncs2)n1 ZINC000232554619 641300556 /nfs/dbraw/zinc/30/05/56/641300556.db2.gz JXGFNQIUMLGZLV-UHFFFAOYSA-N 0 1 220.301 2.287 20 0 BEADMN CCCc1ccccc1C(=O)NCCN1CCC1 ZINC000935046346 641324959 /nfs/dbraw/zinc/32/49/59/641324959.db2.gz UOCNKRUWNZYVNO-UHFFFAOYSA-N 0 1 246.354 2.075 20 0 BEADMN CCC[C@H](O)C(=O)Nc1cccc(Cl)c1O ZINC000935106199 641339923 /nfs/dbraw/zinc/33/99/23/641339923.db2.gz AJKGOEYDWDNUAP-VIFPVBQESA-N 0 1 243.690 2.145 20 0 BEADMN Cc1cncc(-c2nc([C@H](N)C(C)C)no2)c1 ZINC000088451986 641356223 /nfs/dbraw/zinc/35/62/23/641356223.db2.gz WIMQGBKQGYLVRM-SNVBAGLBSA-N 0 1 232.287 2.096 20 0 BEADMN CC1=C(C)C[C@@H](C(=O)NC23CCN(CC2)C3)CC1 ZINC000913635846 641437263 /nfs/dbraw/zinc/43/72/63/641437263.db2.gz PQPSMVZPJKBGOD-ZDUSSCGKSA-N 0 1 248.370 2.087 20 0 BEADMN CC(C)(C)c1cccc(C(=O)Nc2c[nH]nn2)c1 ZINC000935595680 641438456 /nfs/dbraw/zinc/43/84/56/641438456.db2.gz PAJCZHAKOWWDBK-UHFFFAOYSA-N 0 1 244.298 2.355 20 0 BEADMN CCc1ccc([C@@H](C)C(=O)Nc2c[nH]nn2)cc1 ZINC000935596059 641438736 /nfs/dbraw/zinc/43/87/36/641438736.db2.gz BZGGUIAIOUETER-SECBINFHSA-N 0 1 244.298 2.109 20 0 BEADMN CC1=CC[C@](C)(C(=O)NC23CCN(CC2)C3)CC1 ZINC000913636676 641438961 /nfs/dbraw/zinc/43/89/61/641438961.db2.gz PONFUVGRIWFCMD-AWEZNQCLSA-N 0 1 248.370 2.087 20 0 BEADMN CCc1ccc([C@H](C)C(=O)Nc2c[nH]nn2)cc1 ZINC000935596060 641439643 /nfs/dbraw/zinc/43/96/43/641439643.db2.gz BZGGUIAIOUETER-VIFPVBQESA-N 0 1 244.298 2.109 20 0 BEADMN CCCC(=CC(=O)Nc1c[nH]nn1)CCC ZINC000935596453 641440554 /nfs/dbraw/zinc/44/05/54/641440554.db2.gz JPLCCRSEQNYBIM-UHFFFAOYSA-N 0 1 222.292 2.270 20 0 BEADMN C[C@H](CC(=O)Nc1c[nH]nn1)CC(C)(C)C ZINC000935596940 641441357 /nfs/dbraw/zinc/44/13/57/641441357.db2.gz XCMIQFXUTCFHAZ-MRVPVSSYSA-N 0 1 224.308 2.206 20 0 BEADMN CC[C@@H](C)CCCCC(=O)Nc1c[nH]nn1 ZINC000935596968 641441559 /nfs/dbraw/zinc/44/15/59/641441559.db2.gz XZANUILGRDHMIG-SECBINFHSA-N 0 1 224.308 2.350 20 0 BEADMN CCC[C@H](CC(C)C)C(=O)Nc1c[nH]nn1 ZINC000935597897 641442602 /nfs/dbraw/zinc/44/26/02/641442602.db2.gz PEWMYWCPTUPIDY-SECBINFHSA-N 0 1 224.308 2.206 20 0 BEADMN CC1(C)OCC[C@H]1NC/C(Cl)=C\Cl ZINC000328256775 641450511 /nfs/dbraw/zinc/45/05/11/641450511.db2.gz QKVODJLXMZHAAL-WVXIBAHESA-N 0 1 224.131 2.463 20 0 BEADMN C[C@H]1C[C@H](C)N1C(=O)c1cccc(F)c1O ZINC000935737282 641472717 /nfs/dbraw/zinc/47/27/17/641472717.db2.gz JJKSSRRWGSKTRU-YUMQZZPRSA-N 0 1 223.247 2.154 20 0 BEADMN O=C(C[C@H]1CC=CCC1)NCCN1CC=CCC1 ZINC000935750266 641474883 /nfs/dbraw/zinc/47/48/83/641474883.db2.gz YHMXZGHKUZGIMJ-AWEZNQCLSA-N 0 1 248.370 2.111 20 0 BEADMN C/C=C\C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000211364217 641477993 /nfs/dbraw/zinc/47/79/93/641477993.db2.gz MYJBUQUVERMZGN-OAQKJQOQSA-N 0 1 238.356 2.043 20 0 BEADMN C[C@@]1(C(=O)NOC/C=C/Cl)C=CCC1 ZINC000936057924 641523752 /nfs/dbraw/zinc/52/37/52/641523752.db2.gz FEFJCEGBSVJUTB-LJJSCBMDSA-N 0 1 215.680 2.143 20 0 BEADMN C[C@H]1C[C@H](C)[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000158347617 641630838 /nfs/dbraw/zinc/63/08/38/641630838.db2.gz YZUIBAPCQHPURX-UWVGGRQHSA-N 0 1 213.321 2.218 20 0 BEADMN CCCCOC(=O)[C@H](C)N(C)CC1CC1 ZINC000159387886 641679019 /nfs/dbraw/zinc/67/90/19/641679019.db2.gz WYFKRHQGXNCBAW-JTQLQIEISA-N 0 1 213.321 2.060 20 0 BEADMN CCCOC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000159788168 641701550 /nfs/dbraw/zinc/70/15/50/641701550.db2.gz VTYGNVYNXKXTAQ-LLVKDONJSA-N 0 1 227.348 2.450 20 0 BEADMN CC[C@H](CO)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000929834965 641729884 /nfs/dbraw/zinc/72/98/84/641729884.db2.gz QRSWHKYBQNMJOT-HUUCEWRRSA-N 0 1 249.354 2.005 20 0 BEADMN CC[C@H](C)COC(=O)CCCCc1cn[nH]n1 ZINC000188284486 641750856 /nfs/dbraw/zinc/75/08/56/641750856.db2.gz UREZGKLLYJVZBR-JTQLQIEISA-N 0 1 239.319 2.107 20 0 BEADMN C[C@@H](NCc1ccc(F)nc1)c1cccnc1 ZINC000188967567 641779280 /nfs/dbraw/zinc/77/92/80/641779280.db2.gz QJRKXAIIDYSLBV-SNVBAGLBSA-N 0 1 231.274 2.467 20 0 BEADMN CCCC[C@H](C)N[C@H](C)c1nnnn1C1CC1 ZINC000189121342 641790167 /nfs/dbraw/zinc/79/01/67/641790167.db2.gz PSTGCZRZNIIHPG-VHSXEESVSA-N 0 1 237.351 2.237 20 0 BEADMN CC(C)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000076396975 641810496 /nfs/dbraw/zinc/81/04/96/641810496.db2.gz LDERYWDPCUQUOQ-VXGBXAGGSA-N 0 1 249.266 2.381 20 0 BEADMN CCN(C(=O)CN1CCCC1)c1ccc(C)cc1 ZINC000915217387 641811964 /nfs/dbraw/zinc/81/19/64/641811964.db2.gz RQZIUXTWJPLDAU-UHFFFAOYSA-N 0 1 246.354 2.444 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCc1ccccc1C ZINC000915476360 641826921 /nfs/dbraw/zinc/82/69/21/641826921.db2.gz CTNOBDIRGLDBOI-LLVKDONJSA-N 0 1 234.324 2.103 20 0 BEADMN C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000077043959 641837217 /nfs/dbraw/zinc/83/72/17/641837217.db2.gz HCZYGNCMSGAKEO-BQBZGAKWSA-N 0 1 248.311 2.128 20 0 BEADMN CCN(C(C)=O)C1CN(CCC2CCCC2)C1 ZINC000949542407 641839994 /nfs/dbraw/zinc/83/99/94/641839994.db2.gz GXTLWHNZJOBAHN-UHFFFAOYSA-N 0 1 238.375 2.119 20 0 BEADMN C[C@H]1CN(C(=O)c2ccn[nH]2)Cc2ccccc21 ZINC000915826378 641863761 /nfs/dbraw/zinc/86/37/61/641863761.db2.gz WTFFWOZHFFKPPR-JTQLQIEISA-N 0 1 241.294 2.169 20 0 BEADMN CC(C)[C@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000190547940 641871380 /nfs/dbraw/zinc/87/13/80/641871380.db2.gz MWGZNUFBVMDBMP-JTQLQIEISA-N 0 1 239.319 2.105 20 0 BEADMN CCc1cc(CNC(=O)Nc2ccccc2)n[nH]1 ZINC000732822168 641872601 /nfs/dbraw/zinc/87/26/01/641872601.db2.gz OLMYMBVVCPXILA-UHFFFAOYSA-N 0 1 244.298 2.294 20 0 BEADMN CC[C@H](CO)Sc1nc(-c2ccccc2)n[nH]1 ZINC000915979728 641891534 /nfs/dbraw/zinc/89/15/34/641891534.db2.gz ZWQONUFJQXIBDE-SNVBAGLBSA-N 0 1 249.339 2.335 20 0 BEADMN Cc1noc(C)c1CN(C)C[C@@H]1CCC=CO1 ZINC000191067114 641898805 /nfs/dbraw/zinc/89/88/05/641898805.db2.gz UDFIQGWYRPSIHE-LBPRGKRZSA-N 0 1 236.315 2.416 20 0 BEADMN CCn1ccnc1SCc1[nH]ncc1C ZINC000916544981 641944085 /nfs/dbraw/zinc/94/40/85/641944085.db2.gz PAPPCALKXGSDAW-UHFFFAOYSA-N 0 1 222.317 2.227 20 0 BEADMN C[C@H](c1nnnn1C1CC1)N1CCCCCCC1 ZINC000191872226 641948309 /nfs/dbraw/zinc/94/83/09/641948309.db2.gz XDOZFLITMMWZJP-LLVKDONJSA-N 0 1 249.362 2.335 20 0 BEADMN Cc1[nH][nH]c(=O)c1SCC1CCCCC1 ZINC000916801338 641979624 /nfs/dbraw/zinc/97/96/24/641979624.db2.gz PRWSOEZDAXBISS-JTQLQIEISA-N 0 1 226.345 2.174 20 0 BEADMN CCCCNc1ccc(N2CCN(C)CC2)cn1 ZINC000916845037 641980525 /nfs/dbraw/zinc/98/05/25/641980525.db2.gz AFEHXMIJDDIWTL-UHFFFAOYSA-N 0 1 248.374 2.045 20 0 BEADMN CCOC(=O)C[C@@H](C)SCc1[nH]ncc1C ZINC000917060908 641997256 /nfs/dbraw/zinc/99/72/56/641997256.db2.gz ANUXCZMDESNDBZ-SECBINFHSA-N 0 1 242.344 2.293 20 0 BEADMN O=C1CC(c2ccccc2)=NN1CC1CC1 ZINC000917346029 642045480 /nfs/dbraw/zinc/04/54/80/642045480.db2.gz WSRMOGRSZXFCDN-UHFFFAOYSA-N 0 1 214.268 2.033 20 0 BEADMN Cc1cn[nH]c1CS[C@@H]1CCO[C@H]1C ZINC000917351282 642048954 /nfs/dbraw/zinc/04/89/54/642048954.db2.gz WRQSVQIKGAKYCG-WCBMZHEXSA-N 0 1 212.318 2.129 20 0 BEADMN Cc1cn[nH]c1CSCC(=O)OC(C)(C)C ZINC000917491178 642072505 /nfs/dbraw/zinc/07/25/05/642072505.db2.gz QHKZRARIVJPCSU-UHFFFAOYSA-N 0 1 242.344 2.293 20 0 BEADMN CCCc1cc(C(=O)N(CC)C(C)C)n[nH]1 ZINC000918664943 642247443 /nfs/dbraw/zinc/24/74/43/642247443.db2.gz LCZOTEHIMFLENY-UHFFFAOYSA-N 0 1 223.320 2.233 20 0 BEADMN CN(Cc1nncn1C)C1CCCCCCC1 ZINC000160885961 642412052 /nfs/dbraw/zinc/41/20/52/642412052.db2.gz FDHJJZXXNJTILR-UHFFFAOYSA-N 0 1 236.363 2.360 20 0 BEADMN CCn1cnc2c1CC[N@@H+](CCCCCF)C2 ZINC000933255386 642426735 /nfs/dbraw/zinc/42/67/35/642426735.db2.gz ZWNYYQIEGRYGLW-UHFFFAOYSA-N 0 1 239.338 2.401 20 0 BEADMN CCn1cnc2c1CCN(CCCCCF)C2 ZINC000933255386 642426741 /nfs/dbraw/zinc/42/67/41/642426741.db2.gz ZWNYYQIEGRYGLW-UHFFFAOYSA-N 0 1 239.338 2.401 20 0 BEADMN CN(C/C=C\Cl)CCOCC1CC1 ZINC000255548312 642442736 /nfs/dbraw/zinc/44/27/36/642442736.db2.gz POAVYFFAKUHRNQ-DJWKRKHSSA-N 0 1 203.713 2.097 20 0 BEADMN CC(C)C[C@@H](O)CN[C@@H](C)c1nccs1 ZINC000093403394 642486760 /nfs/dbraw/zinc/48/67/60/642486760.db2.gz NAMUOKYLVUYXTI-VHSXEESVSA-N 0 1 228.361 2.201 20 0 BEADMN OC[C@@H](NC/C=C/Cl)c1ccsc1 ZINC000308188096 642482945 /nfs/dbraw/zinc/48/29/45/642482945.db2.gz KXQRDLIRGFCUDT-FAIQTLDISA-N 0 1 217.721 2.124 20 0 BEADMN O=C(Nc1cn[nH]c1)c1c(O)cccc1Cl ZINC000920445685 642495946 /nfs/dbraw/zinc/49/59/46/642495946.db2.gz WZSJIEHHAUERFB-UHFFFAOYSA-N 0 1 237.646 2.021 20 0 BEADMN CCC/C=C\C(=O)Nc1c(C)n[nH]c1C ZINC000920478892 642514402 /nfs/dbraw/zinc/51/44/02/642514402.db2.gz URPSRDZIEIPHER-SREVYHEPSA-N 0 1 207.277 2.321 20 0 BEADMN CC=CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000051042293 642515166 /nfs/dbraw/zinc/51/51/66/642515166.db2.gz RNKUEHCHNOGMJC-RWIWAZIYSA-N 0 1 229.283 2.316 20 0 BEADMN C[C@@H](NCc1cnn(CCF)c1)c1ccncc1 ZINC000921475370 642632472 /nfs/dbraw/zinc/63/24/72/642632472.db2.gz WRCNIANMPJDQHZ-LLVKDONJSA-N 0 1 248.305 2.098 20 0 BEADMN CC(C)=CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000064372422 642651537 /nfs/dbraw/zinc/65/15/37/642651537.db2.gz ZRWGENZQSMYSQU-UHFFFAOYSA-N 0 1 243.270 2.421 20 0 BEADMN CCOCCNC1(c2ccccc2F)CC1 ZINC000179644111 642733394 /nfs/dbraw/zinc/73/33/94/642733394.db2.gz ANYJMRUXSXIMPG-UHFFFAOYSA-N 0 1 223.291 2.441 20 0 BEADMN CC(Cl)(Cl)C(=O)C(C#N)c1ccccn1 ZINC000179848785 642748041 /nfs/dbraw/zinc/74/80/41/642748041.db2.gz OGDYBPMKXLIWEA-SSDOTTSWSA-N 0 1 243.093 2.452 20 0 BEADMN CC[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000068721834 642798401 /nfs/dbraw/zinc/79/84/01/642798401.db2.gz IUPPUSGFRHSFCE-BDAKNGLRSA-N 0 1 238.312 2.053 20 0 BEADMN CCCCOC(=O)CN(CC)CC1CC1 ZINC000068947414 642813783 /nfs/dbraw/zinc/81/37/83/642813783.db2.gz ALTKQJOUKWMCOH-UHFFFAOYSA-N 0 1 213.321 2.062 20 0 BEADMN CC(C)COC(=O)CN(C)C(C1CC1)C1CC1 ZINC000181440843 642871657 /nfs/dbraw/zinc/87/16/57/642871657.db2.gz LHLLAHXDDOPVIW-UHFFFAOYSA-N 0 1 239.359 2.306 20 0 BEADMN Cc1nonc1CN[C@H](C)CCC(C)C ZINC000069795286 642906032 /nfs/dbraw/zinc/90/60/32/642906032.db2.gz MAPMOUMCGREUMA-SECBINFHSA-N 0 1 211.309 2.292 20 0 BEADMN CCCN[C@H](C)c1nc(-c2ccoc2)no1 ZINC000069947411 642945164 /nfs/dbraw/zinc/94/51/64/642945164.db2.gz ZQSBDHYCHACRNG-MRVPVSSYSA-N 0 1 221.260 2.390 20 0 BEADMN CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001017890785 642981075 /nfs/dbraw/zinc/98/10/75/642981075.db2.gz JQOYMDAFMRIWLK-BETUJISGSA-N 0 1 248.370 2.038 20 0 BEADMN CC1(C)CCCN(C(=O)[C@@H](N)c2ccccc2)C1 ZINC000070260399 643008440 /nfs/dbraw/zinc/00/84/40/643008440.db2.gz FYJMWFWCNBXEBU-ZDUSSCGKSA-N 0 1 246.354 2.335 20 0 BEADMN CO[C@H](C)CNC1(c2ccccc2F)CC1 ZINC000182437636 643018174 /nfs/dbraw/zinc/01/81/74/643018174.db2.gz VIZWTVZHFTWKLD-SNVBAGLBSA-N 0 1 223.291 2.439 20 0 BEADMN CC(=O)[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000070913577 643083922 /nfs/dbraw/zinc/08/39/22/643083922.db2.gz HLGSLDLASYEFAW-SECBINFHSA-N 0 1 223.238 2.240 20 0 BEADMN C[C@@H](NC[C@@H](O)C1CC1)c1c(F)cccc1F ZINC000071298883 643125564 /nfs/dbraw/zinc/12/55/64/643125564.db2.gz RYYXTPPJJAOGPR-PRHODGIISA-N 0 1 241.281 2.386 20 0 BEADMN C=CCCCON=C(N)CN1CCCCCC1 ZINC000077239555 643265410 /nfs/dbraw/zinc/26/54/10/643265410.db2.gz GDPGWMVSFQYOHW-UHFFFAOYSA-N 0 1 239.363 2.117 20 0 BEADMN O=C(CCCCc1cn[nH]n1)OC1CCCC1 ZINC000185502606 643316725 /nfs/dbraw/zinc/31/67/25/643316725.db2.gz BYTXBFSUBGIEGH-UHFFFAOYSA-N 0 1 237.303 2.003 20 0 BEADMN OCCCCCCSc1nc(C2CC2)n[nH]1 ZINC000175550647 643341318 /nfs/dbraw/zinc/34/13/18/643341318.db2.gz XEVHITBSJCKPNI-UHFFFAOYSA-N 0 1 241.360 2.327 20 0 BEADMN OCCCCCCSc1n[nH]c(C2CC2)n1 ZINC000175550647 643341323 /nfs/dbraw/zinc/34/13/23/643341323.db2.gz XEVHITBSJCKPNI-UHFFFAOYSA-N 0 1 241.360 2.327 20 0 BEADMN c1cc2n(c1)CCN(CC[C@H]1CCCCO1)C2 ZINC000932525513 643348035 /nfs/dbraw/zinc/34/80/35/643348035.db2.gz AIIPEHGXLDQFSU-CQSZACIVSA-N 0 1 234.343 2.263 20 0 BEADMN CC(C)C[N@@H+](CCc1cccs1)CC(=O)[O-] ZINC000082602663 643354115 /nfs/dbraw/zinc/35/41/15/643354115.db2.gz NVEZWTLVEGEPQA-UHFFFAOYSA-N 0 1 241.356 2.333 20 0 BEADMN CCC1(c2noc(Cc3nnc[nH]3)n2)CCCC1 ZINC000924043241 643375535 /nfs/dbraw/zinc/37/55/35/643375535.db2.gz YCYBHCPGRVGMDQ-UHFFFAOYSA-N 0 1 247.302 2.000 20 0 BEADMN C[C@H]1CCCC[C@@H]1NCc1cnsn1 ZINC000307086328 643405725 /nfs/dbraw/zinc/40/57/25/643405725.db2.gz KERXYFLWOXCFDU-WPRPVWTQSA-N 0 1 211.334 2.206 20 0 BEADMN CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001032263750 643414334 /nfs/dbraw/zinc/41/43/34/643414334.db2.gz YKKHXFDJVGSTPK-STQMWFEESA-N 0 1 236.359 2.038 20 0 BEADMN C[C@H](NC[C@@H]1CCC=CO1)c1nccs1 ZINC000070633979 643464041 /nfs/dbraw/zinc/46/40/41/643464041.db2.gz VPQJZYFNLUWQKJ-UWVGGRQHSA-N 0 1 224.329 2.486 20 0 BEADMN CCN(C(=O)[C@@H]1CCCN1C)c1ccc(C)cc1 ZINC000733870617 643475779 /nfs/dbraw/zinc/47/57/79/643475779.db2.gz UZCFQPQFFHQXLO-AWEZNQCLSA-N 0 1 246.354 2.442 20 0 BEADMN CCN1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032306168 643481960 /nfs/dbraw/zinc/48/19/60/643481960.db2.gz MJRTWWORFGBUOY-KBPBESRZSA-N 0 1 248.370 2.182 20 0 BEADMN CCc1[nH]nc(Cl)c1CN1CCCC1 ZINC000921511204 643509827 /nfs/dbraw/zinc/50/98/27/643509827.db2.gz BMMXJMITDCMKOP-UHFFFAOYSA-N 0 1 213.712 2.221 20 0 BEADMN CO[C@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000082725430 643521315 /nfs/dbraw/zinc/52/13/15/643521315.db2.gz WZJUMRQRRGAFIJ-ZJUUUORDSA-N 0 1 226.345 2.109 20 0 BEADMN Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])s1 ZINC000083414073 643535925 /nfs/dbraw/zinc/53/59/25/643535925.db2.gz QPSJNJDQVMGYBT-JTQLQIEISA-N 0 1 239.340 2.496 20 0 BEADMN CC[C@@H](NC)c1nc(-c2ccccc2)no1 ZINC000044625812 643545357 /nfs/dbraw/zinc/54/53/57/643545357.db2.gz MWYFGXIMEFUPAS-SNVBAGLBSA-N 0 1 217.272 2.407 20 0 BEADMN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047239092 643580412 /nfs/dbraw/zinc/58/04/12/643580412.db2.gz LSGSZDVDSWRQBV-GHMZBOCLSA-N 0 1 248.282 2.161 20 0 BEADMN ClC1(Cl)C[C@@H]1CN1CC=CCC1 ZINC000307709919 643582748 /nfs/dbraw/zinc/58/27/48/643582748.db2.gz NVIQKFCGPUFQAA-MRVPVSSYSA-N 0 1 206.116 2.442 20 0 BEADMN FCCn1cc(CNCc2ccsc2)cn1 ZINC000921531147 643589447 /nfs/dbraw/zinc/58/94/47/643589447.db2.gz ILTGLCJYXPCIGZ-UHFFFAOYSA-N 0 1 239.319 2.204 20 0 BEADMN C[C@@H](C1CC1)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000083638429 643601129 /nfs/dbraw/zinc/60/11/29/643601129.db2.gz RUNNECJCCHZVLR-VIFPVBQESA-N 0 1 213.321 2.218 20 0 BEADMN C[C@@H](NC(=O)C=CC(C)(C)C)c1ncc[nH]1 ZINC000820267843 643622276 /nfs/dbraw/zinc/62/22/76/643622276.db2.gz KHSIQLKLOXBYDO-VUHVRTRXSA-N 0 1 221.304 2.189 20 0 BEADMN CO[C@@H]1CCC[C@H]1NC/C(Cl)=C/Cl ZINC000085978816 643626268 /nfs/dbraw/zinc/62/62/68/643626268.db2.gz NPBVYXTZOXCGEG-XOPPAYCJSA-N 0 1 224.131 2.463 20 0 BEADMN CC(=O)CCN1CCC(C(F)(F)F)CC1 ZINC000083890028 643628679 /nfs/dbraw/zinc/62/86/79/643628679.db2.gz WDIYKQHFZQVQKF-UHFFFAOYSA-N 0 1 223.238 2.240 20 0 BEADMN CC[C@@H]1CCCC[N@H+]1C/C=C(/C)C(=O)[O-] ZINC000084002288 643641027 /nfs/dbraw/zinc/64/10/27/643641027.db2.gz ZIKKWMYFWQGCQT-ZJRUKIMVSA-N 0 1 211.305 2.282 20 0 BEADMN C[C@H]1CCC[C@@H](C[N@@H+](C)CCC(=O)[O-])C1 ZINC000084347452 643658180 /nfs/dbraw/zinc/65/81/80/643658180.db2.gz MVHHIRRYJSHFAC-WDEREUQCSA-N 0 1 213.321 2.219 20 0 BEADMN Nc1ccc(CN2CCC(C(F)F)CC2)cn1 ZINC000307870603 643693283 /nfs/dbraw/zinc/69/32/83/643693283.db2.gz QWTHRMIALLDCDL-UHFFFAOYSA-N 0 1 241.285 2.141 20 0 BEADMN CC(C)c1cc(=O)n(-c2ccc(Cl)nc2)[nH]1 ZINC000059647906 643721029 /nfs/dbraw/zinc/72/10/29/643721029.db2.gz UMCOELLFCJUFPT-UHFFFAOYSA-N 0 1 237.690 2.484 20 0 BEADMN CCc1nc[nH]c1C(=O)Nc1cnc(C)c(C)c1 ZINC000921872248 643813494 /nfs/dbraw/zinc/81/34/94/643813494.db2.gz OSFOPHPNKFSMBI-UHFFFAOYSA-N 0 1 244.298 2.236 20 0 BEADMN FC1(F)CC(NCc2ccnn2C2CCC2)C1 ZINC000922061412 643855807 /nfs/dbraw/zinc/85/58/07/643855807.db2.gz SERZODZUHKMINW-UHFFFAOYSA-N 0 1 241.285 2.495 20 0 BEADMN CCO[C@@H]1CCC[C@H](NC(CF)CF)C1 ZINC000922150551 643874001 /nfs/dbraw/zinc/87/40/01/643874001.db2.gz AQVHCICHQRGFIL-GXSJLCMTSA-N 0 1 221.291 2.231 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922154303 643874695 /nfs/dbraw/zinc/87/46/95/643874695.db2.gz IOOHDIOHOGFURE-GMTAPVOTSA-N 0 1 233.302 2.089 20 0 BEADMN FCC(CF)N[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922154043 643875329 /nfs/dbraw/zinc/87/53/29/643875329.db2.gz IOOHDIOHOGFURE-GARJFASQSA-N 0 1 233.302 2.089 20 0 BEADMN Cc1cnc(Cl)c(CNCCOCCF)c1 ZINC000922268360 643936099 /nfs/dbraw/zinc/93/60/99/643936099.db2.gz DZDGZTKNCSJKEY-UHFFFAOYSA-N 0 1 246.713 2.119 20 0 BEADMN CN(C)c1ccnc(CNCc2ccoc2)c1 ZINC000922479392 643999955 /nfs/dbraw/zinc/99/99/55/643999955.db2.gz UCYJYOFZHWFOLF-UHFFFAOYSA-N 0 1 231.299 2.030 20 0 BEADMN CC(C)c1cnc(CNC[C@H]2CCN2C)s1 ZINC000922576437 644030818 /nfs/dbraw/zinc/03/08/18/644030818.db2.gz SNHSZRDTXFUOTC-SNVBAGLBSA-N 0 1 239.388 2.060 20 0 BEADMN COC(C)(C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000922584007 644033806 /nfs/dbraw/zinc/03/38/06/644033806.db2.gz XRLMBMBUKIDPNW-JTQLQIEISA-N 0 1 239.363 2.436 20 0 BEADMN COC(C)(C)[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000922583669 644034896 /nfs/dbraw/zinc/03/48/96/644034896.db2.gz RPXBOEBBHJILIT-SNVBAGLBSA-N 0 1 237.347 2.121 20 0 BEADMN Cn1cc(CN[C@@H](c2ccccn2)C2CC2)cn1 ZINC000922586803 644035702 /nfs/dbraw/zinc/03/57/02/644035702.db2.gz QHSHKYGEXNJUTJ-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN Cn1nccc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922585867 644035780 /nfs/dbraw/zinc/03/57/80/644035780.db2.gz HOZPZILLNQHSAY-CQSZACIVSA-N 0 1 242.326 2.056 20 0 BEADMN Cc1ncc(CNC(C)(C)/C=C\Cl)n1C ZINC000922645291 644051626 /nfs/dbraw/zinc/05/16/26/644051626.db2.gz PNDJEWKWTBZIBW-WAYWQWQTSA-N 0 1 227.739 2.349 20 0 BEADMN Cc1n[nH]cc1CNC(C)(C)/C=C\Cl ZINC000922648542 644052800 /nfs/dbraw/zinc/05/28/00/644052800.db2.gz NAJJHCAKENPNDD-PLNGDYQASA-N 0 1 213.712 2.339 20 0 BEADMN Cn1nccc1CNC(C)(C)/C=C/Cl ZINC000922649855 644058002 /nfs/dbraw/zinc/05/80/02/644058002.db2.gz ZTDSGNIDRSRLFF-AATRIKPKSA-N 0 1 213.712 2.041 20 0 BEADMN Cn1ccc(CNC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000922814595 644100052 /nfs/dbraw/zinc/10/00/52/644100052.db2.gz YLWFPDTVFPAJEH-ZDUSSCGKSA-N 0 1 249.358 2.002 20 0 BEADMN C[C@@]1(CNCc2cscn2)CCCCO1 ZINC000922815609 644105964 /nfs/dbraw/zinc/10/59/64/644105964.db2.gz CKWDCEHFWZPSPO-NSHDSACASA-N 0 1 226.345 2.192 20 0 BEADMN CCC[C@H](O)CCNCc1nc(C)cs1 ZINC000922822534 644112144 /nfs/dbraw/zinc/11/21/44/644112144.db2.gz RYVYEBSCXNIDSX-JTQLQIEISA-N 0 1 228.361 2.092 20 0 BEADMN C[C@@H]1CN(Cc2cn[nH]c2)C[C@@H](C)C1(F)F ZINC000625654470 644167366 /nfs/dbraw/zinc/16/73/66/644167366.db2.gz OFVVBQKEAUIBHZ-RKDXNWHRSA-N 0 1 229.274 2.133 20 0 BEADMN FC1(CNCc2cccc3c2OCC3)CC1 ZINC000922945137 644197349 /nfs/dbraw/zinc/19/73/49/644197349.db2.gz SQIPNDYSCZEPFW-UHFFFAOYSA-N 0 1 221.275 2.213 20 0 BEADMN Cc1ccoc1CNC[C@H](O)c1ccco1 ZINC000080189564 644237554 /nfs/dbraw/zinc/23/75/54/644237554.db2.gz FCBVCMDDPFHFLB-JTQLQIEISA-N 0 1 221.256 2.004 20 0 BEADMN Cc1ncoc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923025534 644238475 /nfs/dbraw/zinc/23/84/75/644238475.db2.gz SKZLCARSCHBVRA-LBPRGKRZSA-N 0 1 236.315 2.174 20 0 BEADMN CCCCCC[C@H](O)C[N@@H+](C)[C@@H](CC)C(=O)[O-] ZINC000923255274 644304372 /nfs/dbraw/zinc/30/43/72/644304372.db2.gz CJNHLWIIICNAQN-RYUDHWBXSA-N 0 1 245.363 2.113 20 0 BEADMN COC[C@@H](NC[C@H]1CCC=CO1)c1ccco1 ZINC000194495689 644323289 /nfs/dbraw/zinc/32/32/89/644323289.db2.gz HGHSYFWJSULIIA-VXGBXAGGSA-N 0 1 237.299 2.249 20 0 BEADMN CCCN(C)CC(=O)Nc1ccc(N(C)C)cc1 ZINC000195010985 644355049 /nfs/dbraw/zinc/35/50/49/644355049.db2.gz NXNIIQIXZVPWDT-UHFFFAOYSA-N 0 1 249.358 2.033 20 0 BEADMN Cc1ccsc1C[N@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000083417412 644402962 /nfs/dbraw/zinc/40/29/62/644402962.db2.gz XKSQYEWASDVUKT-LBPRGKRZSA-N 0 1 239.340 2.496 20 0 BEADMN CCC(CC)C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000083404277 644403556 /nfs/dbraw/zinc/40/35/56/644403556.db2.gz HKCJZRPMJFJKQW-LLVKDONJSA-N 0 1 213.321 2.362 20 0 BEADMN CC(C)c1noc(-c2csc([C@H](C)N)n2)n1 ZINC000085546903 644442586 /nfs/dbraw/zinc/44/25/86/644442586.db2.gz WJADYWHXJDKREV-LURJTMIESA-N 0 1 238.316 2.336 20 0 BEADMN C[C@@H]1CNCCN1C(=O)C1CCCCCCC1 ZINC000086580655 644468077 /nfs/dbraw/zinc/46/80/77/644468077.db2.gz GVJJDKWBJPJDEE-GFCCVEGCSA-N 0 1 238.375 2.167 20 0 BEADMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000199329786 644473338 /nfs/dbraw/zinc/47/33/38/644473338.db2.gz WDYFUBXYJXSCFH-DGCLKSJQSA-N 0 1 233.311 2.372 20 0 BEADMN CC[C@@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000087375511 644492651 /nfs/dbraw/zinc/49/26/51/644492651.db2.gz FJGZYYNAPCRILZ-VIFPVBQESA-N 0 1 242.388 2.301 20 0 BEADMN CN(C/C=C/Cl)CCOCC1CC1 ZINC000088616446 644523092 /nfs/dbraw/zinc/52/30/92/644523092.db2.gz POAVYFFAKUHRNQ-GORDUTHDSA-N 0 1 203.713 2.097 20 0 BEADMN CC(C)C[C@H]1CC(=O)N(CN2CCC[C@@H]2C)C1 ZINC000245457730 644526721 /nfs/dbraw/zinc/52/67/21/644526721.db2.gz ULJHMNJCBCIOAG-STQMWFEESA-N 0 1 238.375 2.323 20 0 BEADMN C[C@H]1CCN(CN2CCSC2=O)C[C@H]1C ZINC000245710466 644538501 /nfs/dbraw/zinc/53/85/01/644538501.db2.gz FEEUBXKIUJVIBH-VHSXEESVSA-N 0 1 228.361 2.091 20 0 BEADMN C[C@@H]1CCN(Cn2cc[nH]c2=S)C[C@H]1C ZINC000245764522 644540355 /nfs/dbraw/zinc/54/03/55/644540355.db2.gz QTYPOCQQWPMPPY-NXEZZACHSA-N 0 1 225.361 2.107 20 0 BEADMN Cc1cccc(Cn2cc(CNC(C)C)nn2)c1 ZINC000090297447 644588186 /nfs/dbraw/zinc/58/81/86/644588186.db2.gz RCWBHOAEYPFOEB-UHFFFAOYSA-N 0 1 244.342 2.133 20 0 BEADMN CCc1nc(COC(=O)/C=C\C(C)(C)C)n[nH]1 ZINC000754815592 644611928 /nfs/dbraw/zinc/61/19/28/644611928.db2.gz JVKITPGLXPPUHJ-SREVYHEPSA-N 0 1 237.303 2.013 20 0 BEADMN CCCOC(=O)[C@H](C)N1CCCC[C@H]1C ZINC000247075946 644619982 /nfs/dbraw/zinc/61/99/82/644619982.db2.gz WVNIZCXGAREHJS-MNOVXSKESA-N 0 1 213.321 2.203 20 0 BEADMN CC(C)(C)[C@@H]1CCCN([C@H]2CCOC2=O)CC1 ZINC000247052923 644620472 /nfs/dbraw/zinc/62/04/72/644620472.db2.gz OPPUDFMYXZVBDX-NEPJUHHUSA-N 0 1 239.359 2.450 20 0 BEADMN CCOC(=O)CCN(Cc1ccoc1)C1CC1 ZINC000092532412 644662120 /nfs/dbraw/zinc/66/21/20/644662120.db2.gz WZHZTZNXFFZNSQ-UHFFFAOYSA-N 0 1 237.299 2.197 20 0 BEADMN CCCOC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000248334583 644675750 /nfs/dbraw/zinc/67/57/50/644675750.db2.gz GEYOYMPZHLMUIH-AXFHLTTASA-N 0 1 213.321 2.058 20 0 BEADMN CCC/C=C/C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000769324752 644680764 /nfs/dbraw/zinc/68/07/64/644680764.db2.gz FMANKWZAKWJQOY-FGEFZZPRSA-N 0 1 235.331 2.122 20 0 BEADMN O=C(Cc1ccc(F)cc1)NOc1ccccc1 ZINC000773465445 644692968 /nfs/dbraw/zinc/69/29/68/644692968.db2.gz DVZXIFSQCGTXMK-UHFFFAOYSA-N 0 1 245.253 2.478 20 0 BEADMN CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248882091 644704193 /nfs/dbraw/zinc/70/41/93/644704193.db2.gz KZBVOVRFRNEINR-ZIAGYGMSSA-N 0 1 239.359 2.426 20 0 BEADMN CCC[C@@H]1CN(C[C@H]2CCC=CO2)CCO1 ZINC000248998738 644707015 /nfs/dbraw/zinc/70/70/15/644707015.db2.gz PUHTVPSSLQGWOX-CHWSQXEVSA-N 0 1 225.332 2.180 20 0 BEADMN CCCCOC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000249898250 644743389 /nfs/dbraw/zinc/74/33/89/644743389.db2.gz VMGCSHIIHIDJFU-NWDGAFQWSA-N 0 1 227.348 2.450 20 0 BEADMN CCC[C@@H](C)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000251273053 644801009 /nfs/dbraw/zinc/80/10/09/644801009.db2.gz FLPGLAMJPZUQGY-GHMZBOCLSA-N 0 1 245.388 2.315 20 0 BEADMN OCC[C@@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000303742207 644842561 /nfs/dbraw/zinc/84/25/61/644842561.db2.gz OSLXSZCHHXYARJ-NSHDSACASA-N 0 1 240.734 2.082 20 0 BEADMN OCCN(C/C=C/Cl)CCc1ccccc1 ZINC000304050447 644868181 /nfs/dbraw/zinc/86/81/81/644868181.db2.gz KOSCMNYWUYZAKR-XBXARRHUSA-N 0 1 239.746 2.276 20 0 BEADMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1[C@H]1CCc2ccccc21 ZINC000252601628 644868872 /nfs/dbraw/zinc/86/88/72/644868872.db2.gz MNPJBINHYXQHGF-OSMZGAPFSA-N 0 1 245.322 2.469 20 0 BEADMN CCCCCC[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252615264 644869877 /nfs/dbraw/zinc/86/98/77/644869877.db2.gz YWVNBWNDCKYKCU-GHMZBOCLSA-N 0 1 213.321 2.362 20 0 BEADMN CCCN(CN1C[C@@](C)(CC)CC1=O)C1CC1 ZINC000808153667 644874023 /nfs/dbraw/zinc/87/40/23/644874023.db2.gz FVWZOJANEOJPQI-AWEZNQCLSA-N 0 1 238.375 2.467 20 0 BEADMN CCN(CCS(=O)(=O)C(C)C)CC(C)(C)C ZINC000812893418 644935002 /nfs/dbraw/zinc/93/50/02/644935002.db2.gz UOTDIXLTBIHOMD-UHFFFAOYSA-N 0 1 249.420 2.178 20 0 BEADMN CC/C(C)=C\C(=O)N1CCN(CC)C[C@@H]1CC ZINC000836946367 645183771 /nfs/dbraw/zinc/18/37/71/645183771.db2.gz KWRVJRZMFYARGN-UKVQZPPCSA-N 0 1 238.375 2.285 20 0 BEADMN CC/C=C(\C)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000837009091 645186152 /nfs/dbraw/zinc/18/61/52/645186152.db2.gz VXNYEQSHNSINAI-WHGQRRHOSA-N 0 1 238.375 2.285 20 0 BEADMN CC(C)C(N)=NOCC1CC(F)(F)C1 ZINC000842040101 645237005 /nfs/dbraw/zinc/23/70/05/645237005.db2.gz RMEHVCXHQRHOML-UHFFFAOYSA-N 0 1 206.236 2.186 20 0 BEADMN CCn1ccnc1[C@H](C)NC1CC(SC)C1 ZINC000926533137 645256471 /nfs/dbraw/zinc/25/64/71/645256471.db2.gz OLKAXGHFRUWRHK-WHXUTIOJSA-N 0 1 239.388 2.448 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CS[C@@H](C)C2)on1 ZINC000926581541 645300539 /nfs/dbraw/zinc/30/05/39/645300539.db2.gz DUOBWNZZRAWMSL-XHNCKOQMSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@H]1C[C@H](N[C@@H]2C[C@H]2C2CCC2)c2ncnn21 ZINC000926615039 645316302 /nfs/dbraw/zinc/31/63/02/645316302.db2.gz MOQDWJCZAPRILP-IXLVHKGHSA-N 0 1 232.331 2.062 20 0 BEADMN CCC(=O)CCN1CC(C)(C)OC[C@H]1CC ZINC000844384699 645325875 /nfs/dbraw/zinc/32/58/75/645325875.db2.gz GPPNTBHUOFISRE-LLVKDONJSA-N 0 1 227.348 2.245 20 0 BEADMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cn2c(n1)CCCC2 ZINC000926639394 645326570 /nfs/dbraw/zinc/32/65/70/645326570.db2.gz RLJOYXWZNTZFAZ-IJLUTSLNSA-N 0 1 249.358 2.047 20 0 BEADMN CC[C@@H]1CN(CCC(=O)C(C)C)[C@@H](CC)CO1 ZINC000844387354 645327610 /nfs/dbraw/zinc/32/76/10/645327610.db2.gz QOZBMHJAYZOWKA-QWHCGFSZSA-N 0 1 241.375 2.491 20 0 BEADMN COc1cc([C@H](C)N[C@H]2CCS[C@H]2C)on1 ZINC000926640080 645327696 /nfs/dbraw/zinc/32/76/96/645327696.db2.gz CFQXYXCVILOWOE-CIUDSAMLSA-N 0 1 242.344 2.228 20 0 BEADMN C[C@H](NC1(C2CCC2)CC1)c1cc(CO)on1 ZINC000926650222 645333632 /nfs/dbraw/zinc/33/36/32/645333632.db2.gz SZYUIAXYNZCYIS-VIFPVBQESA-N 0 1 236.315 2.150 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cnn(C)n1 ZINC000926651086 645337910 /nfs/dbraw/zinc/33/79/10/645337910.db2.gz ORMNAIWBVKYWPD-GARJFASQSA-N 0 1 236.363 2.290 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@H](C)Cc1ccccn1 ZINC000926670139 645347025 /nfs/dbraw/zinc/34/70/25/645347025.db2.gz WERGNTSLKBKAQA-NXEZZACHSA-N 0 1 246.314 2.055 20 0 BEADMN CC[C@@H](C)CCN[C@@H](C)c1nonc1C ZINC000926686392 645356297 /nfs/dbraw/zinc/35/62/97/645356297.db2.gz VXIAUCCEQGTHDV-BDAKNGLRSA-N 0 1 211.309 2.465 20 0 BEADMN COc1cc([C@@H](C)NCC2=CCCC2)on1 ZINC000926717880 645380715 /nfs/dbraw/zinc/38/07/15/645380715.db2.gz WFHXMBOJAAXEBN-SECBINFHSA-N 0 1 222.288 2.444 20 0 BEADMN C[C@@H]1C[C@@H](N[C@@]2(C)CC2(C)C)c2ncnn21 ZINC000926721439 645383620 /nfs/dbraw/zinc/38/36/20/645383620.db2.gz JBEUYUJEHIWECK-LNLATYFQSA-N 0 1 220.320 2.062 20 0 BEADMN C[C@@H](N[C@]1(C)CC1(C)C)c1cc(CO)on1 ZINC000926720388 645384267 /nfs/dbraw/zinc/38/42/67/645384267.db2.gz AFKZNCMQPGLAGX-PRHODGIISA-N 0 1 224.304 2.006 20 0 BEADMN C[C@H]1C[C@H](NCCCc2ccco2)c2ncnn21 ZINC000926728792 645389881 /nfs/dbraw/zinc/38/98/81/645389881.db2.gz SLEKCWCPAFURDA-JQWIXIFHSA-N 0 1 246.314 2.099 20 0 BEADMN CC(C)CC1(N[C@H](C)c2cnn(C)n2)CC1 ZINC000926727514 645390196 /nfs/dbraw/zinc/39/01/96/645390196.db2.gz ZXYWQYAIVQCNHX-SNVBAGLBSA-N 0 1 222.336 2.044 20 0 BEADMN C[C@H](NCc1cocn1)[C@@](C)(O)c1ccccc1 ZINC000846045729 645391066 /nfs/dbraw/zinc/39/10/66/645391066.db2.gz VWIRZWODNBKLIU-SMDDNHRTSA-N 0 1 246.310 2.060 20 0 BEADMN Cc1nonc1[C@H](C)NC1CC(C)(C)C1 ZINC000926735755 645395065 /nfs/dbraw/zinc/39/50/65/645395065.db2.gz YHXLIDILQGQELR-ZETCQYMHSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@@H](CCO)N(C)Cc1cnc(Cl)c(F)c1 ZINC000847012149 645414234 /nfs/dbraw/zinc/41/42/34/645414234.db2.gz HBFQODSZOLSQAR-QMMMGPOBSA-N 0 1 246.713 2.077 20 0 BEADMN CC(=O)CCN1C[C@H](C)OC2(CCCCC2)C1 ZINC000847096771 645423833 /nfs/dbraw/zinc/42/38/33/645423833.db2.gz JRUXLICQAMIEBV-ZDUSSCGKSA-N 0 1 239.359 2.389 20 0 BEADMN C[C@@H](N[C@H]1CCCC12CC2)c1cc(CO)on1 ZINC000926778920 645425816 /nfs/dbraw/zinc/42/58/16/645425816.db2.gz SYDRAMAVFPLUPS-SKDRFNHKSA-N 0 1 236.315 2.150 20 0 BEADMN C[C@@H](NCC[C@H]1CCSC1)c1ncco1 ZINC000926780247 645428592 /nfs/dbraw/zinc/42/85/92/645428592.db2.gz YEERHYSZRJWCHF-ZJUUUORDSA-N 0 1 226.345 2.468 20 0 BEADMN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccnnc1 ZINC000926787121 645433664 /nfs/dbraw/zinc/43/36/64/645433664.db2.gz VMBDIBAHZKSHON-ZMLRMANQSA-N 0 1 223.295 2.408 20 0 BEADMN COCC(C)(C)CCN[C@H](C)c1ncco1 ZINC000926821271 645438629 /nfs/dbraw/zinc/43/86/29/645438629.db2.gz HZCXZEHDZDPVDD-SNVBAGLBSA-N 0 1 226.320 2.388 20 0 BEADMN Cc1ccc(CN[C@@H]2COC[C@H]2C)c(Cl)n1 ZINC000926849719 645458052 /nfs/dbraw/zinc/45/80/52/645458052.db2.gz FTEPSZWIXYYTGZ-LDYMZIIASA-N 0 1 240.734 2.168 20 0 BEADMN C[C@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ncco1 ZINC000926889746 645477434 /nfs/dbraw/zinc/47/74/34/645477434.db2.gz YPPZXCBFRMMYOK-NZHYYXIDSA-N 0 1 206.289 2.370 20 0 BEADMN Cc1nonc1[C@H](C)NCCC1CC=CC1 ZINC000926948325 645496793 /nfs/dbraw/zinc/49/67/93/645496793.db2.gz DCQOVHJJJLAIEG-VIFPVBQESA-N 0 1 221.304 2.385 20 0 BEADMN C[C@H](NC[C@]1(C)CCCCO1)c1ncc[nH]1 ZINC000927014668 645514592 /nfs/dbraw/zinc/51/45/92/645514592.db2.gz PRZXHDHKULSUMZ-JQWIXIFHSA-N 0 1 223.320 2.020 20 0 BEADMN Cc1cc(F)c(CN[C@@H]2COC[C@@H]2C)c(F)c1 ZINC000927093005 645544863 /nfs/dbraw/zinc/54/48/63/645544863.db2.gz MNEGUSNTXGSADT-TVQRCGJNSA-N 0 1 241.281 2.398 20 0 BEADMN COC[C@H](CN[C@H](C)c1ncco1)C(C)C ZINC000927097317 645548479 /nfs/dbraw/zinc/54/84/79/645548479.db2.gz ULLGXQPFIDNOTQ-MNOVXSKESA-N 0 1 226.320 2.244 20 0 BEADMN C[C@H](NC[C@]12C[C@H]1CCC2)c1cc(CO)on1 ZINC000927123109 645558295 /nfs/dbraw/zinc/55/82/95/645558295.db2.gz VYMWBFRWMRJRSV-CWSCBRNRSA-N 0 1 236.315 2.008 20 0 BEADMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1ncc[nH]1 ZINC000927156962 645576697 /nfs/dbraw/zinc/57/66/97/645576697.db2.gz BVMODFFAJWXGGD-GHMZBOCLSA-N 0 1 235.331 2.162 20 0 BEADMN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1ncc[nH]1 ZINC000927156964 645577729 /nfs/dbraw/zinc/57/77/29/645577729.db2.gz BVMODFFAJWXGGD-QWRGUYRKSA-N 0 1 235.331 2.162 20 0 BEADMN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1nccn1C ZINC000927160683 645580168 /nfs/dbraw/zinc/58/01/68/645580168.db2.gz MNLLBSJHOSRDBQ-VXGBXAGGSA-N 0 1 249.358 2.172 20 0 BEADMN CC/C(C)=C/C(=O)NCc1cc(N(C)C)ccn1 ZINC000927697844 645638567 /nfs/dbraw/zinc/63/85/67/645638567.db2.gz RVCHKNUCKZMYTR-DHZHZOJOSA-N 0 1 247.342 2.120 20 0 BEADMN CC/C=C(/C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927707204 645643773 /nfs/dbraw/zinc/64/37/73/645643773.db2.gz VREPZJLTVXQSTN-WDZFZDKYSA-N 0 1 247.342 2.120 20 0 BEADMN Cc1nc(F)ccc1CNCC(C)(C)F ZINC000865652438 645721250 /nfs/dbraw/zinc/72/12/50/645721250.db2.gz BMVAQHOGONYUCK-UHFFFAOYSA-N 0 1 214.259 2.367 20 0 BEADMN Cc1conc1CN1CCCCC[C@@H]1CCO ZINC000878571846 645817179 /nfs/dbraw/zinc/81/71/79/645817179.db2.gz COCLGWQGKXFLGL-GFCCVEGCSA-N 0 1 238.331 2.110 20 0 BEADMN CN1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC000928557902 645817939 /nfs/dbraw/zinc/81/79/39/645817939.db2.gz UPRFRGVGIOSEBZ-NEPJUHHUSA-N 0 1 238.375 2.023 20 0 BEADMN CCCCCC[C@H](C)C(=O)NC[C@H]1CCN1C ZINC000928563501 645822308 /nfs/dbraw/zinc/82/23/08/645822308.db2.gz MPSGWOKRYOSMGP-QWHCGFSZSA-N 0 1 240.391 2.413 20 0 BEADMN CCCCC[C@@H](C)CC(=O)NC[C@H]1CCN1C ZINC000928563429 645823643 /nfs/dbraw/zinc/82/36/43/645823643.db2.gz LWGMUMHXCJICMC-CHWSQXEVSA-N 0 1 240.391 2.413 20 0 BEADMN CN1CC[C@@H]1CNC(=O)CCC1CCCCC1 ZINC000928573196 645833075 /nfs/dbraw/zinc/83/30/75/645833075.db2.gz MNLJJDBXZXETJS-CYBMUJFWSA-N 0 1 238.375 2.167 20 0 BEADMN CC[C@@H](CC(=O)NC[C@@H]1CCN1C)C(C)(C)C ZINC000928572038 645833921 /nfs/dbraw/zinc/83/39/21/645833921.db2.gz UYYCDHJKVCXTLV-RYUDHWBXSA-N 0 1 240.391 2.269 20 0 BEADMN CCn1cc(CN(C)C2CCC(C)CC2)nn1 ZINC000883995941 645865388 /nfs/dbraw/zinc/86/53/88/645865388.db2.gz YAXPOPOCRFFBFD-UHFFFAOYSA-N 0 1 236.363 2.309 20 0 BEADMN F[C@@H]1CCN(C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886223620 645883753 /nfs/dbraw/zinc/88/37/53/645883753.db2.gz OEZBJZZFWXFHJM-NEPJUHHUSA-N 0 1 227.323 2.380 20 0 BEADMN C[C@H](NC1(C2CC2)CCC1)c1nccc(N)n1 ZINC000887148563 645894923 /nfs/dbraw/zinc/89/49/23/645894923.db2.gz JNGRDDSRTXTFAX-VIFPVBQESA-N 0 1 232.331 2.042 20 0 BEADMN CC[C@H]1CC[C@H](C)N1Cc1cn(CC)nn1 ZINC000887547521 645898461 /nfs/dbraw/zinc/89/84/61/645898461.db2.gz MPLBLTRERYHUDJ-JQWIXIFHSA-N 0 1 222.336 2.061 20 0 BEADMN CCCCOC(=O)[C@@H]1CCCN1C(C)C ZINC000923890902 645962469 /nfs/dbraw/zinc/96/24/69/645962469.db2.gz BECLNQRLAVQHJH-NSHDSACASA-N 0 1 213.321 2.203 20 0 BEADMN O=C(C[C@@H]1CC=CCC1)N1CCc2nc[nH]c2C1 ZINC000929076976 645934711 /nfs/dbraw/zinc/93/47/11/645934711.db2.gz FXOZEDJTXKYEAU-LLVKDONJSA-N 0 1 245.326 2.041 20 0 BEADMN C[C@@H]1CN(CCCc2cccnc2)C[C@H](C)O1 ZINC000929126189 645959133 /nfs/dbraw/zinc/95/91/33/645959133.db2.gz UJZNOOKNNDUASC-BETUJISGSA-N 0 1 234.343 2.123 20 0 BEADMN C[C@@H]1CCC[C@H](c2noc(Cc3nnc[nH]3)n2)C1 ZINC000923862536 645959978 /nfs/dbraw/zinc/95/99/78/645959978.db2.gz XVOLXYTZDSVWGX-BDAKNGLRSA-N 0 1 247.302 2.072 20 0 BEADMN CN(Cc1noc2c1COCC2)C1CCCC1 ZINC000929191490 645997051 /nfs/dbraw/zinc/99/70/51/645997051.db2.gz KXWPHNHBDPRNFH-UHFFFAOYSA-N 0 1 236.315 2.122 20 0 BEADMN COc1ccccc1CN(C)CCOC1CC1 ZINC000929209726 646006904 /nfs/dbraw/zinc/00/69/04/646006904.db2.gz STUJIYBECGCRRB-UHFFFAOYSA-N 0 1 235.327 2.306 20 0 BEADMN C[C@@H](c1ncccn1)N1CCC(C)CC1 ZINC000929216096 646015742 /nfs/dbraw/zinc/01/57/42/646015742.db2.gz YCUDGYVQEHATMM-NSHDSACASA-N 0 1 205.305 2.270 20 0 BEADMN CCCCC1(C(=O)N2CCCN(C)CC2)CC1 ZINC000929224883 646021530 /nfs/dbraw/zinc/02/15/30/646021530.db2.gz PBWWDDOGNHQRAO-UHFFFAOYSA-N 0 1 238.375 2.121 20 0 BEADMN CCCCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000924542507 646060968 /nfs/dbraw/zinc/06/09/68/646060968.db2.gz NAXRMDPQIGBNPW-UWVGGRQHSA-N 0 1 208.309 2.064 20 0 BEADMN C[C@@H]1C[C@H](NCCc2ccsc2)c2ncnn21 ZINC000924604064 646075177 /nfs/dbraw/zinc/07/51/77/646075177.db2.gz YPOSRFXPBWVWMU-KOLCDFICSA-N 0 1 248.355 2.178 20 0 BEADMN CCOC1CCN(Cc2cc(C)nnc2C)CC1 ZINC000929326829 646081992 /nfs/dbraw/zinc/08/19/92/646081992.db2.gz ARUCSKWGYPSPLG-UHFFFAOYSA-N 0 1 249.358 2.094 20 0 BEADMN CN(CCc1ccns1)Cc1ccoc1 ZINC000929326854 646082082 /nfs/dbraw/zinc/08/20/82/646082082.db2.gz BRTZBJIKLYWQAO-UHFFFAOYSA-N 0 1 222.313 2.411 20 0 BEADMN CC1(C)COCCN1CCCc1cccnc1 ZINC000929348235 646089489 /nfs/dbraw/zinc/08/94/89/646089489.db2.gz ONBYMKDCFPMHEE-UHFFFAOYSA-N 0 1 234.343 2.125 20 0 BEADMN C[C@H](NCc1ccc(Cl)nc1)c1ccnnc1 ZINC000924711042 646094118 /nfs/dbraw/zinc/09/41/18/646094118.db2.gz FKOVZDCWBGUWLA-VIFPVBQESA-N 0 1 248.717 2.376 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CCN(C2CC2)CC1 ZINC000929361660 646095915 /nfs/dbraw/zinc/09/59/15/646095915.db2.gz UTNQUSGONDGKIV-LLVKDONJSA-N 0 1 249.333 2.062 20 0 BEADMN CCN(C/C(C)=C\C(=O)OC)Cc1ccoc1 ZINC000929478393 646135066 /nfs/dbraw/zinc/13/50/66/646135066.db2.gz ZHIUZJLYSXSEPR-XFFZJAGNSA-N 0 1 237.299 2.221 20 0 BEADMN Cc1cn(C)nc1CN1CCC(C)(C)CC1 ZINC000929483544 646141134 /nfs/dbraw/zinc/14/11/34/646141134.db2.gz JTPQYIDTBLFJMY-UHFFFAOYSA-N 0 1 221.348 2.351 20 0 BEADMN CC[C@@H]1CCCN1CC[S@](=O)C(F)(F)F ZINC000929492535 646147867 /nfs/dbraw/zinc/14/78/67/646147867.db2.gz PIHXKPSOXXMBSS-GLEZIHRCSA-N 0 1 243.294 2.129 20 0 BEADMN CC[C@](C)(O)CN[C@@H]1CCCc2oc(C)nc21 ZINC000924994630 646151821 /nfs/dbraw/zinc/15/18/21/646151821.db2.gz XKXKJLGUOGMWSK-MFKMUULPSA-N 0 1 238.331 2.111 20 0 BEADMN CC[C@@](C)(O)CN[C@@H]1CCCc2oc(C)nc21 ZINC000924994632 646152765 /nfs/dbraw/zinc/15/27/65/646152765.db2.gz XKXKJLGUOGMWSK-ZWNOBZJWSA-N 0 1 238.331 2.111 20 0 BEADMN CO[C@@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929502320 646153647 /nfs/dbraw/zinc/15/36/47/646153647.db2.gz IUOHUDDHQUJSNZ-CMPLNLGQSA-N 0 1 238.306 2.393 20 0 BEADMN CC1(C)CCCN1CC[S@](=O)C(F)(F)F ZINC000929504291 646157816 /nfs/dbraw/zinc/15/78/16/646157816.db2.gz GRAKOMLESHZNTJ-HNNXBMFYSA-N 0 1 243.294 2.129 20 0 BEADMN Cc1cn(C)nc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000929510066 646160524 /nfs/dbraw/zinc/16/05/24/646160524.db2.gz FXLSJMRDPGTDHX-ZDUSSCGKSA-N 0 1 219.332 2.103 20 0 BEADMN CC1(C)CCCN1Cc1noc2c1COCC2 ZINC000929506376 646160599 /nfs/dbraw/zinc/16/05/99/646160599.db2.gz WDWCBKGBOABHCT-UHFFFAOYSA-N 0 1 236.315 2.122 20 0 BEADMN CCC[C@@H](O)CN[C@@H]1CCCc2oc(C)nc21 ZINC000925041527 646164302 /nfs/dbraw/zinc/16/43/02/646164302.db2.gz OUHVYGDTEGCFPB-GHMZBOCLSA-N 0 1 238.331 2.111 20 0 BEADMN COC/C(C)=C\C[N@H+]1CCS[C@H](C)C1 ZINC000929517580 646166906 /nfs/dbraw/zinc/16/69/06/646166906.db2.gz IFXWQIREGTUUGA-NEOSZVFXSA-N 0 1 215.362 2.016 20 0 BEADMN CSCCCCN[C@H](C)c1nonc1C ZINC000925098622 646184967 /nfs/dbraw/zinc/18/49/67/646184967.db2.gz OAUGYUUMIUWVPR-MRVPVSSYSA-N 0 1 229.349 2.172 20 0 BEADMN Cc1ncsc1CN(C)CCOC1CC1 ZINC000929605913 646196198 /nfs/dbraw/zinc/19/61/98/646196198.db2.gz IFTHECCBBNEUMJ-UHFFFAOYSA-N 0 1 226.345 2.062 20 0 BEADMN CS[C@@H]1CC[C@H](N[C@@H](C)c2nonc2C)C1 ZINC000925155777 646196566 /nfs/dbraw/zinc/19/65/66/646196566.db2.gz HIEZYBRQZXAGDQ-UJNFCWOMSA-N 0 1 241.360 2.313 20 0 BEADMN CS[C@@H]1CC[C@@H](N[C@H](C)c2nonc2C)C1 ZINC000925155776 646197533 /nfs/dbraw/zinc/19/75/33/646197533.db2.gz HIEZYBRQZXAGDQ-SZEHBUNVSA-N 0 1 241.360 2.313 20 0 BEADMN COC/C(C)=C\CN(C)Cc1scnc1C ZINC000929609681 646198446 /nfs/dbraw/zinc/19/84/46/646198446.db2.gz KKXXLXLXWJVXEU-YHYXMXQVSA-N 0 1 240.372 2.476 20 0 BEADMN C[C@H](NCCC(F)(F)F)c1ccnnc1 ZINC000925234350 646216259 /nfs/dbraw/zinc/21/62/59/646216259.db2.gz CEOYTRKMBJTLDP-ZETCQYMHSA-N 0 1 219.210 2.080 20 0 BEADMN CC(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncco1 ZINC000925219659 646212631 /nfs/dbraw/zinc/21/26/31/646212631.db2.gz FGXMAWNRPQJZIF-SRVKXCTJSA-N 0 1 238.331 2.386 20 0 BEADMN c1nc2n(n1)CCC[C@@H]2NC1CC2(C1)CCCC2 ZINC000925234781 646215651 /nfs/dbraw/zinc/21/56/51/646215651.db2.gz BRAMEAPYONJCCF-LBPRGKRZSA-N 0 1 246.358 2.425 20 0 BEADMN C[C@@H](NCCC(F)(F)F)c1ccnnc1 ZINC000925234339 646216388 /nfs/dbraw/zinc/21/63/88/646216388.db2.gz CEOYTRKMBJTLDP-SSDOTTSWSA-N 0 1 219.210 2.080 20 0 BEADMN c1nc2n(n1)CCC[C@H]2NC1CC2(C1)CCCC2 ZINC000925234780 646217061 /nfs/dbraw/zinc/21/70/61/646217061.db2.gz BRAMEAPYONJCCF-GFCCVEGCSA-N 0 1 246.358 2.425 20 0 BEADMN CCO[C@@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000929677860 646236252 /nfs/dbraw/zinc/23/62/52/646236252.db2.gz GHEYLGRMJYEGDZ-LLVKDONJSA-N 0 1 238.331 2.238 20 0 BEADMN CCc1ccccc1NC(=O)NC[C@@H]1CCN1C ZINC000925393840 646258016 /nfs/dbraw/zinc/25/80/16/646258016.db2.gz KNNOIJLCABEOJU-LBPRGKRZSA-N 0 1 247.342 2.075 20 0 BEADMN CCc1cccc(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000925394520 646259474 /nfs/dbraw/zinc/25/94/74/646259474.db2.gz PGNDCAUQNDAZSI-ZDUSSCGKSA-N 0 1 247.342 2.075 20 0 BEADMN Cc1cn(C)nc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000929714190 646266608 /nfs/dbraw/zinc/26/66/08/646266608.db2.gz QNOQHASYEIWMLY-OCCSQVGLSA-N 0 1 233.359 2.493 20 0 BEADMN C[C@H](NCCCC1CC1)c1cc(CO)on1 ZINC000925438400 646284522 /nfs/dbraw/zinc/28/45/22/646284522.db2.gz YKVQNDNMGJBHIB-VIFPVBQESA-N 0 1 224.304 2.008 20 0 BEADMN C[C@H](c1ncccn1)N1CCC2(C1)CCOCC2 ZINC000929756579 646287423 /nfs/dbraw/zinc/28/74/23/646287423.db2.gz ICDCEQLSKLPKLX-GFCCVEGCSA-N 0 1 247.342 2.040 20 0 BEADMN CC[C@@H]1C[C@@H](C)CN1Cc1nncs1 ZINC000929764610 646296800 /nfs/dbraw/zinc/29/68/00/646296800.db2.gz XMNCWCRUFHJVNQ-RKDXNWHRSA-N 0 1 211.334 2.159 20 0 BEADMN CCn1nc(C)c([C@@H](C)NC2CC(C)C2)n1 ZINC000925489532 646298477 /nfs/dbraw/zinc/29/84/77/646298477.db2.gz KOTNWRRQLAWMET-INWMGODYSA-N 0 1 222.336 2.056 20 0 BEADMN CCn1nc(C)c([C@@H](C)NCC2(CC)CC2)n1 ZINC000925499466 646304033 /nfs/dbraw/zinc/30/40/33/646304033.db2.gz ZDGAROWTDFSGCS-SNVBAGLBSA-N 0 1 236.363 2.447 20 0 BEADMN C[C@@H]1COC[C@H]1NCc1nc(C2CC2)cs1 ZINC000925545156 646324505 /nfs/dbraw/zinc/32/45/05/646324505.db2.gz CNKFGTXUDULHQO-PSASIEDQSA-N 0 1 238.356 2.145 20 0 BEADMN CCN(CCOC1CC1)Cc1ccccn1 ZINC000929825589 646327308 /nfs/dbraw/zinc/32/73/08/646327308.db2.gz PTFHKNKXKBJRDB-UHFFFAOYSA-N 0 1 220.316 2.083 20 0 BEADMN C[C@H](N[C@@H]1CCO[C@H]1C)c1cn2c(n1)CCCC2 ZINC000925660735 646395844 /nfs/dbraw/zinc/39/58/44/646395844.db2.gz AHZJHOKWOZYFKR-SDDRHHMPSA-N 0 1 249.358 2.047 20 0 BEADMN CC(C)CN(C)C(=O)c1cc(F)cc(F)c1O ZINC000930027751 646400822 /nfs/dbraw/zinc/40/08/22/646400822.db2.gz CZXDZXBZIYDMND-UHFFFAOYSA-N 0 1 243.253 2.398 20 0 BEADMN CC[C@H](CSC)N[C@@H](C)c1ncco1 ZINC000925690320 646416280 /nfs/dbraw/zinc/41/62/80/646416280.db2.gz IWKKDLIOUSNGDL-DTWKUNHWSA-N 0 1 214.334 2.467 20 0 BEADMN Cc1cc(C)nc(CN2CCCOC[C@H]2C)c1 ZINC000930067985 646417962 /nfs/dbraw/zinc/41/79/62/646417962.db2.gz QMYSYEHAQGQOKQ-CYBMUJFWSA-N 0 1 234.343 2.309 20 0 BEADMN C[C@H](CO)N(C)Cc1cnc(-c2ccccc2)o1 ZINC000930086954 646428244 /nfs/dbraw/zinc/42/82/44/646428244.db2.gz QBGOAHQJWPWVLS-LLVKDONJSA-N 0 1 246.310 2.154 20 0 BEADMN c1cc(CN(CCOC2CC2)C2CC2)ccn1 ZINC000930112702 646440251 /nfs/dbraw/zinc/44/02/51/646440251.db2.gz ZWVVGUAWNLSISE-UHFFFAOYSA-N 0 1 232.327 2.225 20 0 BEADMN C[C@H](c1ccc(F)nc1)N1CC[C@@H]2C[C@@H]21 ZINC000930121479 646444390 /nfs/dbraw/zinc/44/43/90/646444390.db2.gz FPPACKFSJQHTAG-KKZNHRDASA-N 0 1 206.264 2.376 20 0 BEADMN CC[C@H](C)[C@@H](C(=O)OC)N1CC[C@H](C(F)F)C1 ZINC000930128649 646449763 /nfs/dbraw/zinc/44/97/63/646449763.db2.gz WSHBKVKOYHGTDX-GUBZILKMSA-N 0 1 249.301 2.161 20 0 BEADMN Cc1ncc(CN2CC[C@@H](C(F)F)C2)o1 ZINC000930128974 646452810 /nfs/dbraw/zinc/45/28/10/646452810.db2.gz YTJGBGSVBKSPGV-MRVPVSSYSA-N 0 1 216.231 2.070 20 0 BEADMN Cc1nonc1[C@@H](C)N[C@@H](C)C1(C)CC1 ZINC000925776707 646475278 /nfs/dbraw/zinc/47/52/78/646475278.db2.gz HYSAHBNBHHIFSW-APPZFPTMSA-N 0 1 209.293 2.217 20 0 BEADMN C[C@H](N[C@@H](C)C1(C)CC1)c1cc(CO)on1 ZINC000925775277 646475975 /nfs/dbraw/zinc/47/59/75/646475975.db2.gz FHBIYQFURZHPDX-IUCAKERBSA-N 0 1 224.304 2.006 20 0 BEADMN Cc1[nH]ncc1CCCNC(=O)[C@]1(C)C=CCC1 ZINC000930186474 646481779 /nfs/dbraw/zinc/48/17/79/646481779.db2.gz AHFFLHIBVCUHHI-CQSZACIVSA-N 0 1 247.342 2.123 20 0 BEADMN C[C@H]1CC[C@H](N[C@@H]2CNOC2)c2sccc21 ZINC000925860266 646513690 /nfs/dbraw/zinc/51/36/90/646513690.db2.gz OHVTYGMTHGDGDZ-NGZCFLSTSA-N 0 1 238.356 2.180 20 0 BEADMN CC(C)C[C@H](N[C@H]1CNOC1)c1cccs1 ZINC000925871342 646522235 /nfs/dbraw/zinc/52/22/35/646522235.db2.gz UFTGCFBSIZVNAN-QWRGUYRKSA-N 0 1 240.372 2.328 20 0 BEADMN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1cn(C)nn1 ZINC000926126223 646578947 /nfs/dbraw/zinc/57/89/47/646578947.db2.gz IHIAHCFHJRKLJX-RISCZKNCSA-N 0 1 248.374 2.430 20 0 BEADMN COCCC(C)(C)CN[C@@H](C)c1ncco1 ZINC000926166122 646587021 /nfs/dbraw/zinc/58/70/21/646587021.db2.gz GYSLUHDHVCPRNF-JTQLQIEISA-N 0 1 226.320 2.388 20 0 BEADMN Cc1nonc1[C@@H](C)NC1Cc2ccccc2C1 ZINC000926173155 646589399 /nfs/dbraw/zinc/58/93/99/646589399.db2.gz SECJMTDBSLXIPX-SECBINFHSA-N 0 1 243.310 2.196 20 0 BEADMN CC(C)=CCCN[C@H](C)c1cc(CO)on1 ZINC000926267122 646608452 /nfs/dbraw/zinc/60/84/52/646608452.db2.gz WPSFTSSQZQQQOX-SNVBAGLBSA-N 0 1 224.304 2.174 20 0 BEADMN C[C@@H]1C[C@H](N[C@@H]2CC23CCCC3)c2ncnn21 ZINC000926282223 646609717 /nfs/dbraw/zinc/60/97/17/646609717.db2.gz BZXPBYGXOOBSEL-OUAUKWLOSA-N 0 1 232.331 2.206 20 0 BEADMN CCC(C)(C)CN[C@@H](C)c1nonc1C ZINC000926280350 646610079 /nfs/dbraw/zinc/61/00/79/646610079.db2.gz ARALVPVLYCITKT-QMMMGPOBSA-N 0 1 211.309 2.465 20 0 BEADMN C[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ncco1 ZINC000926290327 646612822 /nfs/dbraw/zinc/61/28/22/646612822.db2.gz MDZVDKOUJSMYSX-YPMHNXCESA-N 0 1 249.358 2.342 20 0 BEADMN CSC1(CN[C@@H](C)c2nonc2C)CCC1 ZINC000926312942 646614975 /nfs/dbraw/zinc/61/49/75/646614975.db2.gz CJDFEKNAHVMFDB-QMMMGPOBSA-N 0 1 241.360 2.314 20 0 BEADMN C[C@H](NCCF)c1cnn(C2CCC2)c1 ZINC000926348829 646623852 /nfs/dbraw/zinc/62/38/52/646623852.db2.gz QCLTXFQTRRRFHE-VIFPVBQESA-N 0 1 211.284 2.228 20 0 BEADMN C[C@@H](N[C@H](C)c1cnnn1C)c1ccsc1 ZINC000926369716 646627657 /nfs/dbraw/zinc/62/76/57/646627657.db2.gz NNQXNWWOYDFEMD-RKDXNWHRSA-N 0 1 236.344 2.288 20 0 BEADMN CCn1nc(C)c([C@@H](C)N[C@H]2CCC2(C)C)n1 ZINC000926420736 646634327 /nfs/dbraw/zinc/63/43/27/646634327.db2.gz JTRLZOYQYNMBLF-KOLCDFICSA-N 0 1 236.363 2.446 20 0 BEADMN C[C@H](N[C@@H]1CCC1(C)C)c1cc(CO)on1 ZINC000926423217 646635287 /nfs/dbraw/zinc/63/52/87/646635287.db2.gz JIKZDOQQIYNUFM-GZMMTYOYSA-N 0 1 224.304 2.006 20 0 BEADMN C[C@H]1COC[C@@H](C)[C@@H]1N[C@H]1CCCC1(F)F ZINC000926428193 646635837 /nfs/dbraw/zinc/63/58/37/646635837.db2.gz HHHKFCKHXASORE-ZRUFSTJUSA-N 0 1 233.302 2.435 20 0 BEADMN C[C@@H](NC[C@@H]1CCCSC1)c1ncco1 ZINC000926429545 646636910 /nfs/dbraw/zinc/63/69/10/646636910.db2.gz HJPFANPYYBXSBN-ZJUUUORDSA-N 0 1 226.345 2.468 20 0 BEADMN CCOCC(C)(C)CN[C@@H](C)c1ncco1 ZINC000926438928 646639733 /nfs/dbraw/zinc/63/97/33/646639733.db2.gz QZRLPUVFURPKFT-JTQLQIEISA-N 0 1 226.320 2.388 20 0 BEADMN Cc1nonc1[C@@H](C)NCC1CC(F)(F)C1 ZINC000926463879 646649751 /nfs/dbraw/zinc/64/97/51/646649751.db2.gz FJBRIIGVDIGBKF-ZCFIWIBFSA-N 0 1 231.246 2.074 20 0 BEADMN CCn1nc(C)c([C@H](C)NCC[C@@H](C)F)n1 ZINC000926485162 646655907 /nfs/dbraw/zinc/65/59/07/646655907.db2.gz JJDNMNHXAMZBAQ-BDAKNGLRSA-N 0 1 228.315 2.005 20 0 BEADMN CC(C)[C@H]1COCC[C@@H]1NCC(C)(F)F ZINC000926485302 646657643 /nfs/dbraw/zinc/65/76/43/646657643.db2.gz DKWJBGBBQLYKCU-ZJUUUORDSA-N 0 1 221.291 2.292 20 0 BEADMN Cc1nocc1CN[C@H](C)c1ccc[nH]1 ZINC000382377896 711559413 /nfs/dbraw/zinc/55/94/13/711559413.db2.gz ILXPEVAMDAVXAT-SECBINFHSA-N 0 1 205.261 2.162 20 0 BEADMN Cc1csc(CNCc2c[nH]cn2)c1 ZINC000382207172 711602262 /nfs/dbraw/zinc/60/22/62/711602262.db2.gz VDRNTUQSUGPJEP-UHFFFAOYSA-N 0 1 207.302 2.069 20 0 BEADMN Cc1n[nH]cc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000724775619 711612633 /nfs/dbraw/zinc/61/26/33/711612633.db2.gz ALDNFQLSIMTIGD-JTQLQIEISA-N 0 1 247.264 2.492 20 0 BEADMN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000724883804 711625587 /nfs/dbraw/zinc/62/55/87/711625587.db2.gz STCHTWMTKLCSHO-NQBHXWOUSA-N 0 1 239.315 2.043 20 0 BEADMN CCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000140228141 711665052 /nfs/dbraw/zinc/66/50/52/711665052.db2.gz WJQIPOXAIPOGOK-UHFFFAOYSA-N 0 1 218.256 2.059 20 0 BEADMN CC[N@@H+](CCSC)Cc1[nH]c(C)nc1C ZINC000930824167 711704543 /nfs/dbraw/zinc/70/45/43/711704543.db2.gz ATXIQJUSUDXEJF-UHFFFAOYSA-N 0 1 227.377 2.211 20 0 BEADMN CCN(CCSC)Cc1[nH]c(C)nc1C ZINC000930824167 711704544 /nfs/dbraw/zinc/70/45/44/711704544.db2.gz ATXIQJUSUDXEJF-UHFFFAOYSA-N 0 1 227.377 2.211 20 0 BEADMN Cc1csc([C@@H](C)NCCOC(F)F)n1 ZINC000701942694 712032766 /nfs/dbraw/zinc/03/27/66/712032766.db2.gz UJENVVHQNZJJHN-SSDOTTSWSA-N 0 1 236.287 2.341 20 0 BEADMN CCC(=O)N[C@@H]1CCCCN(C[C@@H](F)CC)C1 ZINC001034061884 712038155 /nfs/dbraw/zinc/03/81/55/712038155.db2.gz ZOMKFQDXIUIQMM-NWDGAFQWSA-N 0 1 244.354 2.115 20 0 BEADMN C/C(=C\C[N@H+]1CCCC(F)(F)CC1)C(=O)[O-] ZINC000702782522 712061253 /nfs/dbraw/zinc/06/12/53/712061253.db2.gz AEAIRDAHOFBQCL-YCRREMRBSA-N 0 1 233.258 2.139 20 0 BEADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000705175018 712125338 /nfs/dbraw/zinc/12/53/38/712125338.db2.gz UJLNOVFNTIUJFG-WZRBSPASSA-N 0 1 225.332 2.219 20 0 BEADMN CN(CC=C(Cl)Cl)[C@@H]1CCC[C@H]1O ZINC000708584733 712214288 /nfs/dbraw/zinc/21/42/88/712214288.db2.gz SJPXDTROQPVGNV-HTQZYQBOSA-N 0 1 224.131 2.151 20 0 BEADMN C[C@@H]1SCC[C@@H]1NCc1nccn1C1CC1 ZINC000711745971 712323414 /nfs/dbraw/zinc/32/34/14/712323414.db2.gz KZPKIUGCIXZFQU-ONGXEEELSA-N 0 1 237.372 2.202 20 0 BEADMN FCCCNCc1occc1Br ZINC000379330968 712374006 /nfs/dbraw/zinc/37/40/06/712374006.db2.gz ZAUOXKHZOCTTCH-UHFFFAOYSA-N 0 1 236.084 2.491 20 0 BEADMN CC[C@]1(NC/C(Cl)=C\Cl)CCOC1 ZINC000379393354 712381258 /nfs/dbraw/zinc/38/12/58/712381258.db2.gz ULWRVFDGQNKVSN-QRJSTWQJSA-N 0 1 224.131 2.464 20 0 BEADMN CC[C@@]1(NC/C(Cl)=C\Cl)CCOC1 ZINC000379393356 712381300 /nfs/dbraw/zinc/38/13/00/712381300.db2.gz ULWRVFDGQNKVSN-WHXYTISESA-N 0 1 224.131 2.464 20 0 BEADMN C[C@@H]1CSCC[N@@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000379499270 712386757 /nfs/dbraw/zinc/38/67/57/712386757.db2.gz UTBXHZLKSQJBFQ-JTQLQIEISA-N 0 1 245.388 2.172 20 0 BEADMN CC(C)(C)[C@H](CO)NCc1scnc1Cl ZINC000713467846 712461186 /nfs/dbraw/zinc/46/11/86/712461186.db2.gz HSADTTFYQXVIHF-QMMMGPOBSA-N 0 1 248.779 2.293 20 0 BEADMN C=C/C=C/CC[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000713702509 712469432 /nfs/dbraw/zinc/46/94/32/712469432.db2.gz NRFCXVQDWJFELP-PGLGOXFNSA-N 0 1 209.289 2.058 20 0 BEADMN C=C/C=C\CC[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000713710622 712470015 /nfs/dbraw/zinc/47/00/15/712470015.db2.gz ACTYRPBVYFSFSC-DSYXLKISSA-N 0 1 223.316 2.305 20 0 BEADMN C=C/C=C\CCN1CCC[C@@H]1C(=O)OCC ZINC000713742424 712471142 /nfs/dbraw/zinc/47/11/42/712471142.db2.gz BAIMLEHOGGFVDT-FOQNGQEVSA-N 0 1 223.316 2.146 20 0 BEADMN COC(=O)c1ccc([C@H](C)N(C)CCCF)o1 ZINC000714955998 712503282 /nfs/dbraw/zinc/50/32/82/712503282.db2.gz UWEYUCMMNUEBMZ-VIFPVBQESA-N 0 1 243.278 2.419 20 0 BEADMN CCOC(CN[C@H](C)c1ccns1)OCC ZINC000716003448 712552257 /nfs/dbraw/zinc/55/22/57/712552257.db2.gz WCGOHWQVRRZPLN-SECBINFHSA-N 0 1 244.360 2.193 20 0 BEADMN CCc1nc(CN[C@@H](CC)C[C@@H](C)O)cs1 ZINC000716796689 712574215 /nfs/dbraw/zinc/57/42/15/712574215.db2.gz GFULNXFTYLQVNL-ZJUUUORDSA-N 0 1 242.388 2.345 20 0 BEADMN CC[C@H](C[C@@H](C)O)NCc1csc(C)n1 ZINC000716953354 712599647 /nfs/dbraw/zinc/59/96/47/712599647.db2.gz HJUFFZQVHKCVCK-PSASIEDQSA-N 0 1 228.361 2.091 20 0 BEADMN CC[C@H]1CCCC[N@H+]1C/C=C(\C)C(=O)[O-] ZINC000214724484 712642312 /nfs/dbraw/zinc/64/23/12/712642312.db2.gz ZIKKWMYFWQGCQT-HUYFXPKMSA-N 0 1 211.305 2.282 20 0 BEADMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)o1 ZINC000037596928 712668422 /nfs/dbraw/zinc/66/84/22/712668422.db2.gz LXESVYYRZPOUKD-UHFFFAOYSA-N 0 1 237.299 2.417 20 0 BEADMN Cc1coc(CNC[C@H](O)c2ccsc2)c1 ZINC000718058409 712740223 /nfs/dbraw/zinc/74/02/23/712740223.db2.gz MUWLWYXLSOCPGA-LBPRGKRZSA-N 0 1 237.324 2.473 20 0 BEADMN CC(C)[C@@H](N)c1noc(C2(C)CC(F)(F)C2)n1 ZINC000720438693 712842689 /nfs/dbraw/zinc/84/26/89/712842689.db2.gz BXLQVYRUYVWKJP-SSDOTTSWSA-N 0 1 245.273 2.412 20 0 BEADMN C[C@@H]1SCC[C@@H]1NCc1ncc(Cl)n1C ZINC000380322211 712883144 /nfs/dbraw/zinc/88/31/44/712883144.db2.gz KTRJETANXUNKHC-YUMQZZPRSA-N 0 1 245.779 2.057 20 0 BEADMN Cc1cscc1-c1cc2c(nn1)CNC2 ZINC001241727552 1169738249 /nfs/dbraw/zinc/73/82/49/1169738249.db2.gz CYUWYJZUUMSGAP-UHFFFAOYSA-N 0 1 217.297 2.117 20 0 BEADMN